data_r4cnosf
# 
_audit.revision_id     1_0 
_audit.creation_date   ? 
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4cno 
_cell.length_a      78.6700 
_cell.length_b      39.4060 
_cell.length_c      155.1300 
_cell.angle_alpha   90.0000 
_cell.angle_beta    104.6790 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97922 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.500 
_diffrn_reflns.pdbx_d_res_low    150.067 
_diffrn_reflns.limit_h_max       50 
_diffrn_reflns.limit_h_min       -52 
_diffrn_reflns.limit_k_max       26 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       103 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            148467 
_diffrn_reflns.pdbx_number_obs   131118 
# 
_entry.id   4cno 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4cno 
_symmetry.space_group_name_H-M   'P 1 21 1' 
_symmetry.Int_Tables_number      4 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'       
2 '-X,  Y+1/2,  -Z' 
# 
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.F_meas_au
_refln.F_meas_sigma_au
_refln.intensity_meas
_refln.intensity_sigma
_refln.pdbx_I_plus
_refln.pdbx_I_plus_sigma
_refln.pdbx_I_minus
_refln.pdbx_I_minus_sigma
_refln.pdbx_F_plus
_refln.pdbx_F_plus_sigma
_refln.pdbx_F_minus
_refln.pdbx_F_minus_sigma
_refln.pdbx_anom_difference
_refln.pdbx_anom_difference_sigma
1 1 1  -52    0   19 o   82.790   8.8822   50.783   9.6754   0.0000   0.0000   50.783   9.6754   82.790   8.8822   82.790   8.8822 -0.000000 0.000000 
1 1 1  -52    0   20 o   24.812   14.139   6.9719   7.4376   0.0000   0.0000   6.9719   7.4376   24.812   14.139   24.812   14.139 -0.000000 0.000000 
1 1 1  -52    0   21 o   43.755   15.300   18.940   8.2123   0.0000   0.0000   18.940   8.2123   43.755   15.300   43.755   15.300 -0.000000 0.000000 
1 1 1  -52    0   22 o   57.115   13.018   27.484   8.7804   0.0000   0.0000   27.484   8.7804   57.115   13.018   57.115   13.018 -0.000000 0.000000 
1 1 1  -52    0   23 o   20.192   12.739   2.6939   7.4031   0.0000   0.0000   2.6939   7.4031   20.192   12.739   20.192   12.739 -0.000000 0.000000 
1 1 1  -52    0   24 o   58.404   12.958   28.557   8.9651   0.0000   0.0000   28.557   8.9651   58.404   12.958   58.404   12.958 -0.000000 0.000000 
1 1 1  -52    0   25 o   18.274   12.052  -0.0019   7.6703   0.0000   0.0000  -0.0019   7.6703   18.274   12.052   18.274   12.052 -0.000000 0.000000 
1 1 1  -52    0   26 o   73.438   10.535   41.518   9.8585   0.0000   0.0000   41.518   9.8585   73.438   10.535   73.438   10.535 -0.000000 0.000000 
1 1 1  -52    0   27 o   24.538   15.605   4.7618   11.360   0.0000   0.0000   4.7618   11.360   24.538   15.605   24.538   15.605 -0.000000 0.000000 
1 1 1  -52    0   28 o   60.274   18.524   35.703   13.231   0.0000   0.0000   35.703   13.231   60.274   18.524   60.274   18.524 -0.000000 0.000000 
1 1 1  -52    0   29 o   28.965   17.267   10.080   11.933   0.0000   0.0000   10.080   11.933   28.965   17.267   28.965   17.267 -0.000000 0.000000 
1 1 1  -52    0   30 o   66.022   11.822   34.873   9.5673   0.0000   0.0000   34.873   9.5673   66.022   11.822   66.022   11.822 -0.000000 0.000000 
1 1 1  -52    0   31 o   33.850   16.313   13.597   8.6786   0.0000   0.0000   13.597   8.6786   33.850   16.313   33.850   16.313 -0.000000 0.000000 
1 1 1  -52    0   32 o   31.567   16.194   12.136   8.8041   0.0000   0.0000   12.136   8.8041   31.567   16.194   31.567   16.194 -0.000000 0.000000 
1 1 1  -52    0   33 o   71.894   11.159   40.461   10.092   0.0000   0.0000   40.461   10.092   71.894   11.159   71.894   11.159 -0.000000 0.000000 
1 1 1  -52    0   34 o  121.149   8.0577  105.857   13.094   0.0000   0.0000  105.857   13.094  121.149   8.0577  121.149   8.0577 -0.000000 0.000000 
1 1 1  -52    0   35 o  126.484   8.0125  115.255   13.607   0.0000   0.0000  115.255   13.607  126.484   8.0125  126.484   8.0125 -0.000000 0.000000 
1 1 1  -52    0   36 o  146.009   9.8863  157.790   19.355  157.790   19.355   0.0000   0.0000  146.009   9.8863  146.009   9.8863 -0.000000 0.000000 
1 1 1  -52    0   37 o  111.521   10.473   93.860   15.506   93.860   15.506   0.0000   0.0000  111.521   10.473  111.521   10.473 -0.000000 0.000000 
1 1 1  -52    0   38 o   56.287   12.986   30.906   8.6506   25.606   10.972   39.613   14.063   49.270   17.882   63.304   18.836 -0.000000 0.000000 
1 1 1  -52    0   39 o  103.857   8.2208   82.755   11.102   76.711   14.595   91.057   17.104   99.808   11.147  107.907   12.086 -0.000000 0.000000 
1 1 1  -52    1   15 o  101.924   7.9856   77.920   11.030   77.920   11.030   0.0000   0.0000  101.924   7.9856  ?   ?       ?      ? 
1 1 1  -52    1   16 o  113.614   7.7115   96.083   11.873   96.083   11.873   0.0000   0.0000  113.614   7.7115  ?   ?       ?      ? 
1 1 1  -52    1   17 o  109.501   7.7802   89.307   11.545   89.307   11.545   0.0000   0.0000  109.501   7.7802  ?   ?       ?      ? 
1 1 1  -52    1   18 o  123.921   7.4402  113.404   12.494  113.404   12.494   0.0000   0.0000  123.921   7.4402  ?   ?       ?      ? 
1 1 1  -52    1   19 o   81.580   8.8326   50.758   9.7646   50.758   9.7646   0.0000   0.0000   81.580   8.8326  ?   ?       ?      ? 
1 1 1  -52    1   20 o  106.971   7.8352   85.140   11.358   85.140   11.358   0.0000   0.0000  106.971   7.8352  ?   ?       ?      ? 
1 1 1  -52    1   21 o   57.328   11.871   27.760   8.9190   27.760   8.9190   0.0000   0.0000   57.328   11.871  ?   ?       ?      ? 
1 1 1  -52    1   22 o  168.514   10.651  226.899   24.322  226.899   24.322   0.0000   0.0000  168.514   10.651  ?   ?       ?      ? 
1 1 1  -52    1   23 f  108.841   8.4326   98.053   12.425   92.872   17.182  103.733   17.991  105.719   11.993  111.962   11.858 -6.243034 16.86523 
1 1 1  -52    1   24 o  100.723   7.8263   85.582   9.5887   68.376   16.302   94.682   11.856   88.431   13.604  113.015   7.7417 -24.58443 15.65257 
1 1 1  -52    1   25 o   66.656   7.7214   36.070   6.7403   31.103   9.5579   40.984   9.5067   60.666   12.051   72.647   9.6568 -11.98035 15.44276 
1 1 1  -52    1   26 o  130.435   5.4221  125.888   9.5817  129.323   13.596  122.500   13.506  132.325   7.5821  128.545   7.7531 3.779907 10.84429 
1 1 1  -52    1   27 o   70.602   7.5143   40.083   6.8505   49.180   9.7950   31.374   9.5846   80.247   9.0073   60.956   12.030 19.29121 15.02859 
1 1 1  -52    1   28 o   83.495   6.6512   53.893   7.4956   49.304   10.643   58.408   10.558   79.425   9.8886   87.564   8.8976 -8.138741 13.30234 
1 1 1  -52    1   29 o  118.291   5.6124  104.213   8.9964  105.077   12.721  103.350   12.725  118.831   7.8994  117.750   7.9747 1.081535 11.22482 
1 1 1  -52    1   30 o  153.063   5.3360  173.002   11.064  166.692   15.551  179.470   15.743  150.068   7.6468  156.059   7.4444 -5.990799 10.67205 
1 1 1  -52    1   31 o   64.291   9.5279   41.875   8.2507   53.851   10.355   21.047   13.655   83.787   9.1196   44.794   16.732 38.99250 19.05585 
1 1 1  -52    1   32 o   97.001   9.7193   83.319   12.163   69.084   17.467   96.719   16.947   85.493   15.653  108.510   11.525 -23.01750 19.43853 
1 1 1  -52    1   33 o   49.525   11.943   26.146   9.5944   26.992   14.065   25.410   13.121   49.890   17.177   49.160   16.596 0.7300491 23.88501 
1 1 1  -52    1   34 o  127.365   6.3517  122.539   9.4151  120.981   10.877  127.197   18.803  129.648   6.1909  125.082   11.093 4.566292 12.70343 
1 1 1  -52    1   35 o  115.904   6.5396  101.533   8.6955   99.623   9.9683  107.610   17.784  117.539   6.2583  114.267   11.485 3.272034 13.07920 
1 1 1  -52    1   36 o  112.752   6.7200   96.987   8.6449   95.343   9.8970  102.278   17.757  114.834   6.3599  110.670   11.840 4.164749 13.44009 
1 1 1  -52    1   37 o   93.422   7.2614   68.209   7.7532   67.148   8.9000   71.548   15.790   95.844   6.8524   90.999   12.805 4.845116 14.52275 
1 1 1  -52    1   38 o  108.903   5.4373   88.422   8.0191   92.504   11.422   84.454   11.261  111.553   7.5559  106.254   7.8208 5.299088 10.87454 
1 1 1  -52    2   16 o   34.921   14.582   9.6858   11.508   9.6858   11.508   0.0000   0.0000   34.921   14.582  ?   ?       ?      ? 
1 1 1  -52    2   17 o   39.953   15.738   15.688   12.526   15.688   12.526   0.0000   0.0000   39.953   15.738  ?   ?       ?      ? 
1 1 1  -52    2   18 o   80.013   14.366   58.537   15.004   58.537   15.004   0.0000   0.0000   80.013   14.366  ?   ?       ?      ? 
1 1 1  -52    2   19 o   91.289   8.4881   63.181   10.501   63.181   10.501   0.0000   0.0000   91.289   8.4881  ?   ?       ?      ? 
1 1 1  -52    2   20 o   92.454   8.3492   64.531   10.460   64.531   10.460   0.0000   0.0000   92.454   8.3492  ?   ?       ?      ? 
1 1 1  -52    2   21 f   81.609   9.0818   51.186   10.044   51.186   10.044   0.0000   0.0000   81.609   9.0818  ?   ?       ?      ? 
1 1 1  -52    2   22 o  175.350   7.2210  225.932   17.159  225.932   17.159   0.0000   0.0000  175.350   7.2210  ?   ?       ?      ? 
1 1 1  -52    2   23 o   64.908   10.311   33.442   9.0693   33.442   9.0693   0.0000   0.0000   64.908   10.311  ?   ?       ?      ? 
1 1 1  -52    2   24 o   74.792   9.7558   43.706   9.8879   43.706   9.8879   0.0000   0.0000   74.792   9.7558  ?   ?       ?      ? 
1 1 1  -52    2   25 o  116.918   7.8613  101.816   12.455  101.816   12.455   0.0000   0.0000  116.918   7.8613  ?   ?       ?      ? 
1 1 1  -52    2   26 o  131.182   7.7846  127.944   13.839  127.944   13.839   0.0000   0.0000  131.182   7.7846  ?   ?       ?      ? 
1 1 1  -52    2   27 o  101.263   12.935   88.150   17.750   88.150   17.750   0.0000   0.0000  101.263   12.935  ?   ?       ?      ? 
1 1 1  -52    2   28 f   76.093   9.3872   49.979   8.7244   51.325   15.333   49.335   10.609   72.846   15.972   79.341   9.8676 -6.494995 18.77435 
1 1 1  -52    2   29 o   56.859   10.635   27.174   7.7500   43.310   14.619   20.867   9.1400   65.897   16.429   47.822   13.508 18.07495 21.26914 
1 1 1  -52    2   30 o  176.712   5.1885  230.080   12.422  226.884   17.656  233.214   17.481  175.314   7.4318  178.111   7.2424 -2.797272 10.37706 
1 1 1  -52    2   31 o   82.621   6.6491   52.881   7.4137   47.348   10.354   58.703   10.620   77.700   9.8332   87.542   8.9525 -9.841721 13.29811 
1 1 1  -52    2   32 o   79.555   6.9413   49.630   7.4265   42.832   10.357   56.825   10.655   73.242   10.435   85.869   9.1567 -12.62725 13.88256 
1 1 1  -52    2   33 f   89.437   6.9856   57.990   7.2934   53.319   8.3120   73.623   15.206   85.135   7.2046   93.740   11.970 -8.604561 13.97111 
1 1 1  -52    2   34 o   95.611   6.6976   64.983   7.4953   59.116   8.5322   84.816   15.687   89.803   7.0112  101.420   11.414 -11.61763 13.39528 
1 1 1  -52    2   35 o   39.012   10.307   12.840   7.1369   8.4284   8.8613   20.986   12.041   32.950   13.155   45.073   15.871 -12.12292 20.61390 
1 1 1  -52    2   36 o   34.657   9.8692   9.4382   6.8564   7.7792   8.5126   12.502   11.568   32.116   12.868   37.198   14.967 -5.082085 19.73833 
1 1 1  -52    3   20 o   62.081   11.427   32.349   9.2590   32.349   9.2590   0.0000   0.0000   62.081   11.427  ?   ?       ?      ? 
1 1 1  -52    3   21 o  104.247   11.649   90.595   16.456   90.595   16.456   0.0000   0.0000  104.247   11.649  ?   ?       ?      ? 
1 1 1  -52    3   22 o   61.437   15.751   37.366   13.176   37.366   13.176   0.0000   0.0000   61.437   15.751  ?   ?       ?      ? 
1 1 1  -52    3   23 o   54.083   15.906   29.713   12.435   29.713   12.435   0.0000   0.0000   54.083   15.906  ?   ?       ?      ? 
1 1 1  -52    3   24 o   51.237   12.911   23.452   8.9610   23.452   8.9610   0.0000   0.0000   51.237   12.911  ?   ?       ?      ? 
1 1 1  -52    3   25 o  103.312   8.3196   80.699   11.648   80.699   11.648   0.0000   0.0000  103.312   8.3196  ?   ?       ?      ? 
1 1 1  -52    3   26 o   95.121   8.6125   68.915   11.102   68.915   11.102   0.0000   0.0000   95.121   8.6125  ?   ?       ?      ? 
1 1 1  -52    3   27 o   89.368   8.8810   61.261   10.755   61.261   10.755   0.0000   0.0000   89.368   8.8810  ?   ?       ?      ? 
1 1 1  -52    3   28 o   53.347   12.643   25.077   9.0005   25.077   9.0005   0.0000   0.0000   53.347   12.643  ?   ?       ?      ? 
1 1 1  -52    3   29 o   42.287   13.528   16.573   8.7627   16.573   8.7627   0.0000   0.0000   42.287   13.528  ?   ?       ?      ? 
1 1 1  -52    3   30 o   78.693   9.9040   48.910   10.562   48.910   10.562   0.0000   0.0000   78.693   9.9040  ?   ?       ?      ? 
1 1 1  -52    3   31 o  103.695   8.4360   81.658   11.854   81.658   11.854   0.0000   0.0000  103.695   8.4360  ?   ?       ?      ? 
1 1 1  -52    3   32 o   74.904   9.9796   44.484   10.130   44.484   10.130   0.0000   0.0000   74.904   9.9796  ?   ?       ?      ? 
1 1 1  -51    0   14 o  105.705   11.189   84.324   15.617   0.0000   0.0000   84.324   15.617  105.705   11.189  105.705   11.189 -0.000000 0.000000 
1 1 1  -51    0   15 o   23.920   13.885   6.0200   7.3728   0.0000   0.0000   6.0200   7.3728   23.920   13.885   23.920   13.885 -0.000000 0.000000 
1 1 1  -51    0   16 o   33.485   15.535   12.578   7.8036   0.0000   0.0000   12.578   7.8036   33.485   15.535   33.485   15.535 -0.000000 0.000000 
1 1 1  -51    0   17 o   25.011   14.251   6.8242   7.5546   0.0000   0.0000   6.8242   7.5546   25.011   14.251   25.011   14.251 -0.000000 0.000000 
1 1 1  -51    0   18 f  101.027   8.1899   73.437   11.043   0.0000   0.0000   73.437   11.043  101.027   8.1899  101.027   8.1899 -0.000000 0.000000 
1 1 1  -51    0   19 o   50.883   14.296   22.948   8.5326   0.0000   0.0000   22.948   8.5326   50.883   14.296   50.883   14.296 -0.000000 0.000000 
1 1 1  -51    0   20 o   44.399   15.315   19.016   8.2978   0.0000   0.0000   19.016   8.2978   44.399   15.315   44.399   15.315 -0.000000 0.000000 
1 1 1  -51    0   21 o   53.514   13.750   24.603   8.6189   0.0000   0.0000   24.603   8.6189   53.514   13.750   53.514   13.750 -0.000000 0.000000 
1 1 1  -51    0   22 o   79.301   9.3905   46.587   9.7189   0.0000   0.0000   46.587   9.7189   79.301   9.3905   79.301   9.3905 -0.000000 0.000000 
1 1 1  -51    0   23 f   58.539   13.446   28.594   9.2879   0.0000   0.0000   28.594   9.2879   58.539   13.446   58.539   13.446 -0.000000 0.000000 
1 1 1  -51    0   25 o   44.241   15.736   19.203   8.5976   0.0000   0.0000   19.203   8.5976   44.241   15.736   44.241   15.736 -0.000000 0.000000 
1 1 1  -51    0   26 o   22.259   13.696   4.0549   8.0255   0.0000   0.0000   4.0549   8.0255   22.259   13.696   22.259   13.696 -0.000000 0.000000 
1 1 1  -51    0   27 o  101.932   8.2576   74.720   11.234   0.0000   0.0000   74.720   11.234  101.932   8.2576  101.932   8.2576 -0.000000 0.000000 
1 1 1  -51    0   28 o   48.731   15.301   22.046   8.8719   0.0000   0.0000   22.046   8.8719   48.731   15.301   48.731   15.301 -0.000000 0.000000 
1 1 1  -51    0   29 o   71.024   11.123   38.908   9.9218   0.0000   0.0000   38.908   9.9218   71.024   11.123   71.024   11.123 -0.000000 0.000000 
1 1 1  -51    0   30 o   27.339   16.414   7.8613   10.938   0.0000   0.0000   7.8613   10.938   27.339   16.414   27.339   16.414 -0.000000 0.000000 
1 1 1  -51    0   31 o   28.849   17.214   9.2348   11.881   0.0000   0.0000   9.2348   11.881   28.849   17.214   28.849   17.214 -0.000000 0.000000 
1 1 1  -51    0   32 o   61.396   13.365   31.149   9.7434   0.0000   0.0000   31.149   9.7434   61.396   13.365   61.396   13.365 -0.000000 0.000000 
1 1 1  -51    0   33 o   98.983   8.6921   71.059   11.452   0.0000   0.0000   71.059   11.452   98.983   8.6921   98.983   8.6921 -0.000000 0.000000 
1 1 1  -51    0   34 o   22.779   14.892   1.5569   11.331   0.0000   0.0000   1.5569   11.331   22.779   14.892   22.779   14.892 -0.000000 0.000000 
1 1 1  -51    0   35 o   21.857   10.029   1.6307   6.9216   0.4355   8.9612   3.3983   10.898   20.050   13.155   23.663   15.141 -0.000000 0.000000 
1 1 1  -51    0   36 o   34.139   12.473   14.338   7.5812   16.018   9.8958   11.952   11.795   37.012   17.466   31.267   17.811 -0.000000 0.000000 
1 1 1  -51    0   37 o  106.031   8.0251   84.740   11.153   81.993   14.969   88.168   16.723  104.523   10.835  107.538   11.841 -0.000000 0.000000 
1 1 1  -51    0   38 o   80.120   12.813   50.885   12.845   50.885   12.845   0.0000   0.0000   80.120   12.813   80.120   12.813 -0.000000 0.000000 
1 1 1  -51    0   39 o  103.616   10.783   80.693   14.766   80.693   14.766   0.0000   0.0000  103.616   10.783  103.616   10.783 -0.000000 0.000000 
1 1 1  -51    0   40 o   19.445   9.3100  -2.2977   7.1200  -1.7392   9.1075  -3.1755   11.418   18.741   12.601   20.149   13.708 -0.000000 0.000000 
1 1 1  -51    0   41 o  133.185   7.7146  133.768   13.498  151.568   18.737  114.562   19.462  143.914   9.7088  122.456   11.992 -0.000000 0.000000 
1 1 1  -51    0   42 f   81.171   10.072   53.012   9.9506   46.889   12.980   61.740   15.496   75.366   14.175   86.976   14.312 -0.000000 0.000000 
1 1 1  -51    0   43 o   30.071   12.153   9.9150   7.7371   5.8517   9.8587   16.431   12.484   24.700   15.189   35.441   18.975 -0.000000 0.000000 
1 1 1  -51    0   44 o   52.523   12.919   29.728   8.8131   35.146   11.805   22.905   13.247   62.520   16.121   42.525   20.192 -0.000000 0.000000 
1 1 1  -51    0   45 o   94.038   8.9063   69.845   10.708   71.796   14.696   67.636   15.636   96.305   11.725   91.771   13.410 -0.000000 0.000000 
1 1 1  -51    0   46 o   56.698   12.759   33.341   8.9750   38.727   12.017   26.546   13.497   66.708   15.260   46.688   20.452 -0.000000 0.000000 
1 1 1  -51    0   47 o   68.685   11.688   42.157   9.3645   40.720   12.438   44.039   14.229   68.344   15.391   69.025   17.595 -0.000000 0.000000 
1 1 1  -51    0   48 o   43.505   12.397   22.430   8.4633   30.727   11.376   12.146   12.665   56.425   17.056   30.585   17.996 -0.000000 0.000000 
1 1 1  -51    1   10 o   71.998   9.3444   39.574   9.1170   39.574   9.1170   0.0000   0.0000   71.998   9.3444  ?   ?       ?      ? 
1 1 1  -51    1   11 o   74.932   9.1759   42.616   9.3174   42.616   9.3174   0.0000   0.0000   74.932   9.1759  ?   ?       ?      ? 
1 1 1  -51    1   12 o   95.558   7.8961   67.293   10.225   67.293   10.225   0.0000   0.0000   95.558   7.8961  ?   ?       ?      ? 
1 1 1  -51    1   13 o   88.424   8.4256   58.187   10.096   58.187   10.096   0.0000   0.0000   88.424   8.4256  ?   ?       ?      ? 
1 1 1  -51    1   14 o   54.550   11.741   24.521   8.4226   24.521   8.4226   0.0000   0.0000   54.550   11.741  ?   ?       ?      ? 
1 1 1  -51    1   15 o   48.092   12.699   19.748   8.3989   19.748   8.3989   0.0000   0.0000   48.092   12.699  ?   ?       ?      ? 
1 1 1  -51    1   16 o   55.687   11.798   25.483   8.6267   25.483   8.6267   0.0000   0.0000   55.687   11.798  ?   ?       ?      ? 
1 1 1  -51    1   17 f  113.398   7.6648   93.902   11.778   93.902   11.778   0.0000   0.0000  113.398   7.6648  ?   ?       ?      ? 
1 1 1  -51    1   18 o  109.664   6.8251   89.429   9.5293   85.556   11.577   97.567   16.781  108.027   7.9081  111.302   11.126 -3.275391 13.65025 
1 1 1  -51    1   19 o   93.901   7.2049   68.440   8.6256   70.215   10.707   65.157   14.560   97.726   8.0846   90.076   11.928 7.649834 14.40983 
1 1 1  -51    1   20 o   64.160   9.1221   34.329   7.4721   34.601   9.3545   33.849   12.419   67.011   10.301   61.310   15.058 5.700630 18.24425 
1 1 1  -51    1   21 o   79.296   6.5404   47.142   6.9441   56.791   10.111   38.527   9.5538   87.553   8.5219   71.040   9.9240 16.51238 13.08083 
1 1 1  -51    1   22 o  124.226   5.4230  112.526   9.0762   98.295   12.696  127.400   12.980  115.684   8.0988  132.768   7.2142 -17.08456 10.84599 
1 1 1  -51    1   23 o   69.875   7.0466   37.318   6.6289   42.123   9.4457   32.654   9.3054   74.810   9.3173   64.941   10.574 9.869247 14.09324 
1 1 1  -51    1   24 o   84.863   6.4631   53.993   7.4320   54.580   10.497   53.404   10.524   85.386   9.0722   84.341   9.2076 1.045059 12.92613 
1 1 1  -51    1   25 o   66.425   9.3874   37.707   7.8310   34.343   13.295   39.494   9.6906   60.891   15.929   71.958   9.9377 -11.06691 18.77473 
1 1 1  -51    1   26 o   84.669   7.7134   53.970   8.4316   62.779   14.638   49.596   10.315   88.206   12.246   81.132   9.3816 7.074265 15.42676 
1 1 1  -51    1   27 o   84.761   7.7918   53.864   8.5758   64.935   14.805   48.273   10.520   89.793   12.167   79.728   9.7374 10.06537 15.58364 
1 1 1  -51    1   28 o   66.312   7.5824   34.170   6.8134   34.466   9.6370   33.874   9.6344   66.640   10.671   65.984   10.775 0.6559296 15.16474 
1 1 1  -51    1   29 o  115.216   5.6453   97.289   8.8142   97.187   12.465   97.391   12.465  115.151   7.9880  115.281   7.9794 -0.1300735 11.29066 
1 1 1  -51    1   30 o   77.357   7.0070   45.598   7.3135   40.490   10.158   51.095   10.538   72.476   10.343   82.237   9.4558 -9.761330 14.01392 
1 1 1  -51    1   31 o   65.010   8.0003   33.766   6.8377   38.015   9.6485   29.479   9.6917   70.390   10.115   59.631   12.398 10.75849 16.00063 
1 1 1  -51    1   32 o   89.045   6.3757   59.411   7.6934   59.524   10.900   59.299   10.861   89.122   9.0249   88.969   9.0084 0.1528397 12.75142 
1 1 1  -51    1   33 o   98.074   7.5054   74.682   9.4359   74.647   11.688   74.747   15.989  100.204   8.6075   95.944   12.298 4.260857 15.01082 
1 1 1  -51    1   34 o  100.156   8.9589   82.861   12.015   76.065   17.711   88.654   16.353   94.686   13.803  105.626   11.424 -10.94028 17.91777 
1 1 1  -51    1   35 o   63.708   9.4777   36.273   7.5991   39.772   9.3072   29.275   13.161   72.384   9.4885   55.032   16.410 17.35124 18.95545 
1 1 1  -51    1   36 o   59.392   10.683   32.425   8.5833   33.405   11.268   31.069   13.249   61.997   13.770   56.788   16.338 5.208836 21.36695 
1 1 1  -51    1   37 o   66.401   7.2011   34.681   6.1785   27.625   8.7917   41.567   8.6847   58.149   11.564   74.653   8.5847 -16.50381 14.40229 
1 1 1  -51    1   38 o  106.668   5.4478   83.435   7.8745   83.427   11.184   83.444   11.089  106.624   7.7403  106.711   7.6683 -0.8676147E-01 10.89567 
1 1 1  -51    1   39 o   88.235   5.9057   57.870   7.0545   61.451   10.126   54.493   9.8336   91.019   8.2096   85.452   8.4919 5.566376 11.81142 
1 1 1  -51    1   40 o   74.433   6.5584   42.263   6.4673   32.484   8.9915   52.745   9.3089   64.541   10.281   84.324   8.1463 -19.78297 13.11685 
1 1 1  -51    1   41 o   76.411   8.1488   48.640   7.6372   52.623   9.6169   41.839   12.567   83.875   8.4610   68.947   13.929 14.92824 16.29766 
1 1 1  -51    1   42 o   67.793   8.7131   39.856   7.2839   43.838   9.1217   32.849   12.100   76.158   8.8384   59.428   15.019 16.73012 17.42623 
1 1 1  -51    1   43 o   54.218   8.4130   24.706   6.0110   25.629   8.6040   23.826   8.4014   55.292   11.840   53.145   11.955 2.146969 16.82591 
1 1 1  -51    1   44 o   81.895   6.2344   50.848   6.9005   55.505   9.8780   46.409   9.6437   85.876   8.4882   77.914   9.1337 7.962402 12.46889 
1 1 1  -51    1   45 o   88.881   6.0666   59.702   7.3043   57.610   10.253   61.858   10.408   87.194   8.6775   90.568   8.4804 -3.373299 12.13326 
1 1 1  -51    1   46 o   84.116   6.2689   53.880   7.0823   45.456   9.7934   63.114   10.254   76.610   9.4332   91.621   8.2590 -15.01048 12.53782 
1 1 1  -51    1   47 o   40.902   10.239   15.142   6.6859   13.816   7.9611   18.318   12.316   39.285   12.919   42.518   15.889 -3.233917 20.47845 
1 1 1  -51    1   48 o   33.348   9.5597   8.6527   6.6296   10.081   7.8761   5.1820   12.279   34.464   12.740   32.232   14.256 2.232090 19.11946 
1 1 1  -51    2    6 o   50.250   11.922   21.599   7.9960   21.599   7.9960   0.0000   0.0000   50.250   11.922  ?   ?       ?      ? 
1 1 1  -51    2    7 o   74.644   8.7883   42.346   8.8896   42.346   8.8896   0.0000   0.0000   74.644   8.7883  ?   ?       ?      ? 
1 1 1  -51    2    8 o   58.843   10.934   28.235   8.3976   28.235   8.3976   0.0000   0.0000   58.843   10.934  ?   ?       ?      ? 
1 1 1  -51    2    9 o   89.510   8.1831   59.791   9.9259   59.791   9.9259   0.0000   0.0000   89.510   8.1831  ?   ?       ?      ? 
1 1 1  -51    2   10 o   89.782   8.2711   60.174   10.063   60.174   10.063   0.0000   0.0000   89.782   8.2711  ?   ?       ?      ? 
1 1 1  -51    2   11 o   35.745   12.593   10.635   7.5821   10.635   7.5821   0.0000   0.0000   35.745   12.593  ?   ?       ?      ? 
1 1 1  -51    2   12 f   36.340   12.686   11.047   7.6850   11.047   7.6850   0.0000   0.0000   36.340   12.686  ?   ?       ?      ? 
1 1 1  -51    2   13 o   75.445   8.9476   42.948   9.1478   42.948   9.1478   0.0000   0.0000   75.445   8.9476  ?   ?       ?      ? 
1 1 1  -51    2   14 o   81.122   8.7529   49.373   9.6222   49.373   9.6222   0.0000   0.0000   81.122   8.7529  ?   ?       ?      ? 
1 1 1  -51    2   15 o   78.466   9.0218   46.414   9.5931   46.414   9.5931   0.0000   0.0000   78.466   9.0218  ?   ?       ?      ? 
1 1 1  -51    2   16 o   58.245   11.400   27.587   8.6759   27.587   8.6759   0.0000   0.0000   58.245   11.400  ?   ?       ?      ? 
1 1 1  -51    2   17 o   66.405   10.270   34.148   9.2415   34.148   9.2415   0.0000   0.0000   66.405   10.270  ?   ?       ?      ? 
1 1 1  -51    2   18 o   96.096   8.3751   68.464   10.906   68.464   10.906   0.0000   0.0000   96.096   8.3751  ?   ?       ?      ? 
1 1 1  -51    2   19 o  141.348   10.676  155.938   20.450  155.938   20.450   0.0000   0.0000  141.348   10.676  ?   ?       ?      ? 
1 1 1  -51    2   20 o   58.138   15.774   31.585   12.744   31.585   12.744   0.0000   0.0000   58.138   15.774  ?   ?       ?      ? 
1 1 1  -51    2   21 o   76.277   14.210   50.428   14.148   50.428   14.148   0.0000   0.0000   76.277   14.210  ?   ?       ?      ? 
1 1 1  -51    2   22 o   86.451   8.7843   55.764   10.291   55.764   10.291   0.0000   0.0000   86.451   8.7843  ?   ?       ?      ? 
1 1 1  -51    2   23 o   83.566   8.6663   58.798   8.5730   63.470   10.518   49.550   14.798   92.628   8.3792   74.504   15.173 18.12390 17.33261 
1 1 1  -51    2   24 o   60.890   9.2645   27.039   7.3545   17.503   8.8346   48.567   13.274   44.862   13.460   76.919   12.734 -32.05674 18.52907 
1 1 1  -51    2   25 o   80.407   6.6575   48.981   7.2219   44.520   10.265   53.352   10.162   76.308   9.9272   84.507   8.8737 -8.199341 13.31507 
1 1 1  -51    2   26 f   81.558   6.7045   50.002   7.2474   64.238   10.687   37.878   9.8619   93.115   8.4690   70.002   10.396 23.11307 13.40903 
1 1 1  -51    2   27 o   39.217   9.1228   12.222   6.1069   19.587   8.7636   5.2696   8.5146   47.707   13.138   30.727   12.661 16.98081 18.24564 
1 1 1  -51    2   28 o   82.573   6.7339   51.604   7.5160   56.508   10.817   47.026   10.451   86.643   9.2126   78.504   9.8240 8.138969 13.46788 
1 1 1  -51    2   29 o   82.858   6.5720   51.735   7.3732   53.110   10.690   50.486   10.183   83.798   9.4140   81.918   9.1728 1.880325 13.14396 
1 1 1  -51    2   30 o   66.310   9.7448   33.167   8.0162   55.046   14.819   24.116   9.5311   79.724   14.239   52.896   13.308 26.82766 19.48968 
1 1 1  -51    2   31 o   52.895   9.0098   27.377   7.0422   34.792   8.4885   11.006   12.613   67.934   9.2205   37.856   15.482 30.07807 18.01952 
1 1 1  -51    2   32 o  145.560   6.2705  163.731   10.566  170.091   12.342  146.275   20.447  154.911   5.8793  136.210   11.078 18.70110 12.54104 
1 1 1  -51    2   33 o  100.782   6.9903   79.812   8.0412   82.242   9.3261   72.769   15.876  107.246   6.4171   94.318   12.421 12.92725 13.98066 
1 1 1  -51    2   34 o   48.160   9.4374   20.936   6.0953   22.018   7.0433   17.710   12.164   52.801   10.213   43.519   15.873 9.282124 18.87485 
1 1 1  -51    2   35 f   64.257   8.7296   32.646   6.4720   31.106   7.4606   37.326   13.010   64.622   8.5194   63.892   15.240 0.7301140 17.45928 
1 1 1  -51    2   36 o   78.209   8.9173   52.359   8.4989   57.168   10.664   43.989   14.070   87.064   9.0387   69.353   15.375 17.71149 17.83463 
1 1 1  -51    2   37 o   70.832   9.3155   44.043   8.1973   48.292   10.294   36.678   13.552   79.492   9.5559   62.172   15.994 17.31976 18.63105 
1 1 1  -51    2   38 o   81.964   7.5190   45.667   7.7382   34.022   9.1012   76.048   14.700   66.188   10.147   97.740   11.099 -31.55257 15.03794 
1 1 1  -51    2   39 o   34.369   8.5916   9.1604   5.1942   5.2710   7.2416   13.282   7.4544   29.339   11.829   39.400   12.464 -10.06097 17.18311 
1 1 1  -51    2   40 o   48.605   8.5492   20.058   5.6142   21.058   7.8851   19.029   7.9955   50.108   11.806   47.101   12.368 3.006897 17.09847 
1 1 1  -51    2   41 o  104.737   5.5841   81.220   7.8246   66.134   10.845   97.598   11.300   93.848   8.5277  115.627   7.2117 -21.77878 11.16828 
1 1 1  -51    2   42 o   77.770   6.4398   46.104   6.7804   43.564   9.4862   48.757   9.6951   75.412   9.2825   80.128   8.9286 -4.715370 12.87968 
1 1 1  -51    2   43 o   50.431   8.1635   21.796   5.8705   31.185   8.2484   12.158   8.3570   63.485   9.5877   37.377   13.215 26.10804 16.32699 
1 1 1  -51    2   44 o   81.927   8.7520   50.969   9.7167   50.969   9.7167   0.0000   0.0000   81.927   8.7520  ?   ?       ?      ? 
1 1 1  -51    2   45 o   58.506   9.5534   35.088   7.5983   41.339   9.0384   20.026   14.031   73.380   9.0894   43.633   16.806 29.74677 19.10688 
1 1 1  -51    2   46 o   26.519   8.5031   0.2793   6.2419   1.9752   7.3016  -4.3247   12.031   25.872   11.229   27.166   12.772 -1.294052 17.00619 
1 1 1  -51    2   47 o   29.730   9.1777   4.0745   6.5174   4.4208   7.6681   3.1732   12.370   28.351   11.876   31.108   13.996 -2.756985 18.35530 
1 1 1  -51    3    6 o  132.196   7.4713  129.500   13.384  129.500   13.384   0.0000   0.0000  132.196   7.4713  ?   ?       ?      ? 
1 1 1  -51    3    7 o   74.492   9.2718   42.905   9.3596   42.905   9.3596   0.0000   0.0000   74.492   9.2718  ?   ?       ?      ? 
1 1 1  -51    3    8 o   70.490   9.6729   38.734   9.2399   38.734   9.2399   0.0000   0.0000   70.490   9.6729  ?   ?       ?      ? 
1 1 1  -51    3    9 o   63.235   16.127   39.321   13.862   39.321   13.862   0.0000   0.0000   63.235   16.127  ?   ?       ?      ? 
1 1 1  -51    3   10 o   88.546   12.542   66.069   15.049   66.069   15.049   0.0000   0.0000   88.546   12.542  ?   ?       ?      ? 
1 1 1  -51    3   11 o   41.708   15.418   16.580   11.535   16.580   11.535   0.0000   0.0000   41.708   15.418  ?   ?       ?      ? 
1 1 1  -51    3   12 o   47.518   16.050   22.506   12.271   22.506   12.271   0.0000   0.0000   47.518   16.050  ?   ?       ?      ? 
1 1 1  -51    3   13 o   46.544   15.838   21.262   11.951   21.262   11.951   0.0000   0.0000   46.544   15.838  ?   ?       ?      ? 
1 1 1  -51    3   14 o   44.093   12.817   16.961   8.1156   16.961   8.1156   0.0000   0.0000   44.093   12.817  ?   ?       ?      ? 
1 1 1  -51    3   15 o   54.340   11.738   24.527   8.3909   24.527   8.3909   0.0000   0.0000   54.340   11.738  ?   ?       ?      ? 
1 1 1  -51    3   16 o   98.497   8.1152   71.902   10.832   71.902   10.832   0.0000   0.0000   98.497   8.1152  ?   ?       ?      ? 
1 1 1  -51    3   17 o   80.910   8.9187   49.332   9.7788   49.332   9.7788   0.0000   0.0000   80.910   8.9187  ?   ?       ?      ? 
1 1 1  -51    3   18 o   89.332   8.5643   59.615   10.368   59.615   10.368   0.0000   0.0000   89.332   8.5643  ?   ?       ?      ? 
1 1 1  -51    3   19 o   90.871   8.4984   61.555   10.465   61.555   10.465   0.0000   0.0000   90.871   8.4984  ?   ?       ?      ? 
1 1 1  -51    3   20 o  108.160   7.9643   86.193   11.673   86.193   11.673   0.0000   0.0000  108.160   7.9643  ?   ?       ?      ? 
1 1 1  -51    3   21 o   96.664   8.3118   69.306   10.888   69.306   10.888   0.0000   0.0000   96.664   8.3118  ?   ?       ?      ? 
1 1 1  -51    3   22 o  106.833   8.1165   84.284   11.751   84.284   11.751   0.0000   0.0000  106.833   8.1165  ?   ?       ?      ? 
1 1 1  -51    3   23 o  114.255   7.9104   95.977   12.248   95.977   12.248   0.0000   0.0000  114.255   7.9104  ?   ?       ?      ? 
1 1 1  -51    3   24 o   47.778   15.980   21.903   12.164   21.903   12.164   0.0000   0.0000   47.778   15.980  ?   ?       ?      ? 
1 1 1  -51    3   25 o   47.104   16.061   21.321   12.290   21.321   12.290   0.0000   0.0000   47.104   16.061  ?   ?       ?      ? 
1 1 1  -51    3   26 o   31.769   14.022   3.1690   11.817   3.1690   11.817   0.0000   0.0000   31.769   14.022  ?   ?       ?      ? 
1 1 1  -51    3   27 o   46.665   13.970   19.428   9.5248   19.428   9.5248   0.0000   0.0000   46.665   13.970  ?   ?       ?      ? 
1 1 1  -51    3   28 o  115.551   7.3388  105.411   10.708  109.891   13.257   97.003   18.162  122.135   8.0097  108.967   12.299 13.16835 14.67754 
1 1 1  -51    3   29 o  104.358   5.9220   80.864   8.3698   80.474   12.021   81.231   11.661  103.938   8.5346  104.778   8.2124 -0.8390961 11.84410 
1 1 1  -51    3   30 o   84.874   8.3684   63.587   7.4873   70.284   8.7760   45.673   14.353   98.986   6.5424   70.762   15.405 28.22408 16.73679 
1 1 1  -51    3   31 o   92.371   6.6337   60.515   7.2900   55.980   8.3850   74.555   14.755   87.945   7.0357   96.797   11.248 -8.851654 13.26743 
1 1 1  -51    3   32 o  108.953   6.2231   82.886   8.0203   76.659   9.1914  102.757   16.419  103.323   6.5645  114.582   10.574 -11.25933 12.44622 
1 1 1  -51    3   33 o   92.377   7.0529   64.416   7.5087   63.156   8.6232   68.369   15.271   93.567   6.8008   91.186   12.358 2.381363 14.10588 
1 1 1  -51    3   34 o   86.883   7.4081   60.179   7.3241   61.694   8.4827   55.739   14.518   92.480   6.7687   81.286   13.180 11.19399 14.81610 
1 1 1  -51    3   35 f   85.247   8.3015   61.780   7.4698   65.049   8.6123   51.853   15.008   95.000   6.6898   75.495   15.195 19.50465 16.60292 
1 1 1  -51    3   36 o   44.509   9.2666   18.309   5.8633   19.829   6.7279   13.512   11.956   49.788   10.311   39.230   15.400 10.55859 18.53328 
1 1 1  -51    3   37 o   58.254   9.1330   29.667   6.2699   30.338   7.1971   27.554   12.770   63.765   8.3290   52.742   16.257 11.02363 18.26602 
1 1 1  -51    3   38 o   52.661   9.5871   22.258   6.0354   19.956   6.8497   30.250   12.762   49.733   10.493   55.588   16.048 -5.855606 19.17412 
1 1 1  -51    3   39 o   41.300   9.9212   16.037   7.2513   20.815   9.0354   7.3908   12.154   48.325   13.353   34.275   14.677 14.05014 19.84248 
1 1 1  -51    3   40 o   35.217   10.331   8.8716   8.2257   12.829   11.623   4.9004   11.643   38.231   15.128   32.203   14.074 6.027588 20.66249 
1 1 1  -51    3   41 o   84.117   8.8577   62.119   8.5270   67.165   10.290   51.058   15.235   94.968   7.9955   73.266   15.808 21.70193 17.71535 
1 1 1  -51    3   42 f   83.376   7.6675   50.816   8.0790   42.534   9.5658   71.423   15.088   74.100   9.5261   92.652   12.017 -18.55126 15.33496 
1 1 1  -51    3   43 o   89.319   7.6621   61.142   8.5816   56.085   10.223   73.206   15.790   85.799   8.7927   92.840   12.551 -7.040504 15.32422 
1 1 1  -51    3   44 o   75.560   8.9962   47.798   8.1842   45.916   9.7879   52.170   14.921   76.939   9.3878   74.181   15.349 2.757545 17.99248 
1 1 1  -51    3   45 o  146.900   6.9587  174.001   12.551  182.753   15.268  155.767   22.038  157.608   7.1487  136.192   11.941 21.41620 13.91735 
1 1 1  -51    4    8 o   55.289   11.724   26.062   8.5119   26.062   8.5119   0.0000   0.0000   55.289   11.724  ?   ?       ?      ? 
1 1 1  -51    4    9 o  117.214   7.6052  102.092   12.080  102.092   12.080   0.0000   0.0000  117.214   7.6052  ?   ?       ?      ? 
1 1 1  -51    4   10 o  104.184   7.9395   81.155   11.209   81.155   11.209   0.0000   0.0000  104.184   7.9395  ?   ?       ?      ? 
1 1 1  -51    4   11 o   48.562   12.502   20.662   8.2763   20.662   8.2763   0.0000   0.0000   48.562   12.502  ?   ?       ?      ? 
1 1 1  -51    4   12 o   67.148   10.003   35.405   9.1023   35.405   9.1023   0.0000   0.0000   67.148   10.003  ?   ?       ?      ? 
1 1 1  -51    4   13 o   33.942   12.590   9.3847   7.7042   9.3847   7.7042   0.0000   0.0000   33.942   12.590  ?   ?       ?      ? 
1 1 1  -51    4   14 o   63.154   10.466   31.593   8.9567   31.593   8.9567   0.0000   0.0000   63.154   10.466  ?   ?       ?      ? 
1 1 1  -51    4   15 o   89.513   8.6962   60.550   10.549   60.550   10.549   0.0000   0.0000   89.513   8.6962  ?   ?       ?      ? 
1 1 1  -51    4   16 o  115.877   11.077  107.811   17.395  107.811   17.395   0.0000   0.0000  115.877   11.077  ?   ?       ?      ? 
1 1 1  -51    4   17 o   73.589   14.134   48.095   13.583   48.095   13.583   0.0000   0.0000   73.589   14.134  ?   ?       ?      ? 
1 1 1  -51    4   18 o   67.480   14.556   41.161   12.920   41.161   12.920   0.0000   0.0000   67.480   14.556  ?   ?       ?      ? 
1 1 1  -51    4   19 f  103.147   11.393   85.821   15.925   85.821   15.925   0.0000   0.0000  103.147   11.393  ?   ?       ?      ? 
1 1 1  -51    4   20 o   82.000   9.0832   51.039   10.093   51.039   10.093   0.0000   0.0000   82.000   9.0832  ?   ?       ?      ? 
1 1 1  -51    4   21 o   49.596   12.732   21.258   8.6005   21.258   8.6005   0.0000   0.0000   49.596   12.732  ?   ?       ?      ? 
1 1 1  -51    4   22 o   77.794   9.4360   46.274   9.9475   46.274   9.9475   0.0000   0.0000   77.794   9.4360  ?   ?       ?      ? 
1 1 1  -51    4   23 o  110.171   8.1403   90.080   12.153   90.080   12.153   0.0000   0.0000  110.171   8.1403  ?   ?       ?      ? 
1 1 1  -51    4   24 o   89.283   8.8235   60.047   10.676   60.047   10.676   0.0000   0.0000   89.283   8.8235  ?   ?       ?      ? 
1 1 1  -51    4   25 o   37.804   13.187   12.217   8.3020   12.217   8.3020   0.0000   0.0000   37.804   13.187  ?   ?       ?      ? 
1 1 1  -51    4   26 o   41.693   13.275   15.289   8.4463   15.289   8.4463   0.0000   0.0000   41.693   13.275  ?   ?       ?      ? 
1 1 1  -51    4   27 o   80.163   9.2863   48.930   10.088   48.930   10.088   0.0000   0.0000   80.163   9.2863  ?   ?       ?      ? 
1 1 1  -51    4   28 o  118.629   7.9692  104.064   12.811  104.064   12.811   0.0000   0.0000  118.629   7.9692  ?   ?       ?      ? 
1 1 1  -51    4   29 o   64.296   11.683   34.004   9.8041   34.004   9.8041   0.0000   0.0000   64.296   11.683  ?   ?       ?      ? 
1 1 1  -51    4   30 o   48.843   13.246   21.015   8.9884   21.015   8.9884   0.0000   0.0000   48.843   13.246  ?   ?       ?      ? 
1 1 1  -51    4   31 f   58.036   12.734   28.823   9.7397   28.823   9.7397   0.0000   0.0000   58.036   12.734  ?   ?       ?      ? 
1 1 1  -51    4   32 o  105.831   8.4867   83.912   12.171   83.912   12.171   0.0000   0.0000  105.831   8.4867  ?   ?       ?      ? 
1 1 1  -51    4   33 o   43.983   13.658   17.426   8.9950   17.426   8.9950   0.0000   0.0000   43.983   13.658  ?   ?       ?      ? 
1 1 1  -51    4   34 o   77.763   8.1627   49.702   6.9366   50.477   8.0021   47.360   13.913   83.242   7.0939   72.285   14.704 10.95697 16.32543 
1 1 1  -51    4   35 o  106.114   6.4633   84.946   8.0732   84.073   9.3825   87.436   15.844  108.098   6.4050  104.130   11.228 3.968292 12.92660 
1 1 1  -51    4   36 o   78.776   7.7525   48.505   7.7186   46.271   9.3338   53.337   13.727   78.137   8.8149   79.415   12.756 -1.277962 15.50508 
1 1 1  -51    4   37 o   53.001   9.9790   22.759   6.8790   17.159   8.1811   36.275   12.709   44.019   12.889   61.983   15.238 -17.96369 19.95792 
1 1 1  -51    4   38 o   32.362   9.4498   5.2048   6.1973   1.8064   7.3315   13.711   11.599   25.902   11.247   38.821   15.189 -12.91896 18.89961 
1 1 1  -51    4   39 o   80.166   8.5774   54.103   8.0565   55.081   9.6397   51.836   14.672   85.588   8.3113   74.744   15.007 10.84394 17.15484 
1 1 1  -51    4   40 o   53.303   10.025   25.349   6.9335   23.545   8.2652   29.636   12.738   52.571   11.881   54.035   16.151 -1.463985 20.05041 
1 1 1  -51    4   41 o  102.304   8.6992   88.538   12.049   84.710   16.990   92.411   17.091   99.602   12.588  105.007   12.011 -5.404793 17.39846 
1 1 1  -51    4   42 o   83.837   10.326   64.330   11.226   49.184   15.455   81.243   16.332   69.895   16.570   97.779   12.326 -27.88378 20.65156 
1 1 1  -51    4   43 o   60.545   9.9524   31.728   7.4331   28.234   8.7967   40.451   13.899   57.684   11.654   63.406   16.136 -5.721859 19.90486 
1 1 1  -51    5   12 o   41.977   12.940   16.028   8.0911   16.028   8.0911   0.0000   0.0000   41.977   12.940  ?   ?       ?      ? 
1 1 1  -51    5   13 o   41.673   12.905   15.713   8.0365   15.713   8.0365   0.0000   0.0000   41.673   12.905  ?   ?       ?      ? 
1 1 1  -51    5   14 o   69.450   9.7351   37.832   9.1622   37.832   9.1622   0.0000   0.0000   69.450   9.7351  ?   ?       ?      ? 
1 1 1  -51    5   15 o   76.566   9.1915   45.232   9.5369   45.232   9.5369   0.0000   0.0000   76.566   9.1915  ?   ?       ?      ? 
1 1 1  -51    5   16 o   77.553   9.2615   46.426   9.7333   46.426   9.7333   0.0000   0.0000   77.553   9.2615  ?   ?       ?      ? 
1 1 1  -51    5   17 o  121.229   7.7427  109.171   12.720  109.171   12.720   0.0000   0.0000  121.229   7.7427  ?   ?       ?      ? 
1 1 1  -51    5   18 o  113.151   7.8792   95.325   12.082   95.325   12.082   0.0000   0.0000  113.151   7.8792  ?   ?       ?      ? 
1 1 1  -51    5   19 o   56.689   11.970   27.227   8.9067   27.227   8.9067   0.0000   0.0000   56.689   11.970  ?   ?       ?      ? 
1 1 1  -51    5   20 o   59.244   11.195   28.910   8.6582   28.910   8.6582   0.0000   0.0000   59.244   11.195  ?   ?       ?      ? 
1 1 1  -51    5   21 o   68.440   9.9581   36.648   9.2357   36.648   9.2357   0.0000   0.0000   68.440   9.9581  ?   ?       ?      ? 
1 1 1  -51    5   22 o   54.688   12.148   25.474   8.7685   25.474   8.7685   0.0000   0.0000   54.688   12.148  ?   ?       ?      ? 
1 1 1  -51    5   23 o   64.695   10.255   32.976   8.9904   32.976   8.9904   0.0000   0.0000   64.695   10.255  ?   ?       ?      ? 
1 1 1  -51    5   24 o   52.652   12.505   23.947   8.7899   23.947   8.7899   0.0000   0.0000   52.652   12.505  ?   ?       ?      ? 
1 1 1  -51    5   25 o   45.054   12.956   18.002   8.3328   18.002   8.3328   0.0000   0.0000   45.054   12.956  ?   ?       ?      ? 
1 1 1  -51    5   26 o   35.419   13.075   10.507   8.2905   10.507   8.2905   0.0000   0.0000   35.419   13.075  ?   ?       ?      ? 
1 1 1  -51    5   27 o   59.021   11.981   29.345   9.2551   29.345   9.2551   0.0000   0.0000   59.021   11.981  ?   ?       ?      ? 
1 1 1  -51    5   28 o   36.301   13.158   11.269   8.3401   11.269   8.3401   0.0000   0.0000   36.301   13.158  ?   ?       ?      ? 
1 1 1  -51    5   29 o   56.680   12.234   27.381   9.1213   27.381   9.1213   0.0000   0.0000   56.680   12.234  ?   ?       ?      ? 
1 1 1  -51    5   30 o   64.042   15.865   39.695   13.697   39.695   13.697   0.0000   0.0000   64.042   15.865  ?   ?       ?      ? 
1 1 1  -51    5   31 o   30.686   13.701   2.7527   11.613   2.7527   11.613   0.0000   0.0000   30.686   13.701  ?   ?       ?      ? 
1 1 1  -51    5   32 o   35.127   14.786   9.1267   11.981   9.1267   11.981   0.0000   0.0000   35.127   14.786  ?   ?       ?      ? 
1 1 1  -51    5   33 o   95.513   12.936   78.288   16.744   78.288   16.744   0.0000   0.0000   95.513   12.936  ?   ?       ?      ? 
1 1 1  -51    5   34 o   91.857   13.381   73.624   16.656   73.624   16.656   0.0000   0.0000   91.857   13.381  ?   ?       ?      ? 
1 1 1  -51    5   35 o   66.400   15.890   43.005   14.107   43.005   14.107   0.0000   0.0000   66.400   15.890  ?   ?       ?      ? 
1 1 1  -51    5   36 o   42.709   15.911   18.505   12.332   18.505   12.332   0.0000   0.0000   42.709   15.911  ?   ?       ?      ? 
1 1 1  -51    5   37 o   31.642   13.900   4.8913   11.486   4.8913   11.486   0.0000   0.0000   31.642   13.900  ?   ?       ?      ? 
1 1 1  -51    5   38 o   25.734   12.167  -5.4560   11.194  -5.4560   11.194   0.0000   0.0000   25.734   12.167  ?   ?       ?      ? 
1 1 1  -51    6   21 o   35.272   14.720   10.108   11.719   10.108   11.719   0.0000   0.0000   35.272   14.720  ?   ?       ?      ? 
1 1 1  -51    6   22 o   47.426   16.128   23.642   12.391   23.642   12.391   0.0000   0.0000   47.426   16.128  ?   ?       ?      ? 
1 1 1  -51    6   23 o   52.867   16.142   28.925   12.625   28.925   12.625   0.0000   0.0000   52.867   16.142  ?   ?       ?      ? 
1 1 1  -51    6   24 o   23.029   11.109  -9.7161   10.386  -9.7161   10.386   0.0000   0.0000   23.029   11.109  ?   ?       ?      ? 
1 1 1  -51    6   25 o   95.901   12.684   79.257   16.484   79.257   16.484   0.0000   0.0000   95.901   12.684  ?   ?       ?      ? 
1 1 1  -51    6   26 o   93.463   12.698   75.314   16.083   75.314   16.083   0.0000   0.0000   93.463   12.698  ?   ?       ?      ? 
1 1 1  -51    6   27 o   36.604   14.907   11.736   11.632   11.736   11.632   0.0000   0.0000   36.604   14.907  ?   ?       ?      ? 
1 1 1  -51    6   28 o   46.949   16.035   23.035   12.250   23.035   12.250   0.0000   0.0000   46.949   16.035  ?   ?       ?      ? 
1 1 1  -51    6   29 o   51.232   16.211   27.444   12.610   27.444   12.610   0.0000   0.0000   51.232   16.211  ?   ?       ?      ? 
1 1 1  -51    6   30 o   37.661   15.276   13.061   12.156   13.061   12.156   0.0000   0.0000   37.661   15.276  ?   ?       ?      ? 
1 1 1  -50    0    9 o   18.314   11.879   0.6077   7.0139   0.0000   0.0000   0.6077   7.0139   18.314   11.879   18.314   11.879 -0.000000 0.000000 
1 1 1  -50    0   10 o  108.873   7.5265   84.066   10.983   0.0000   0.0000   84.066   10.983  108.873   7.5265  108.873   7.5265 -0.000000 0.000000 
1 1 1  -50    0   11 o  106.040   7.5795   79.817   10.764   0.0000   0.0000   79.817   10.764  106.040   7.5795  106.040   7.5795 -0.000000 0.000000 
1 1 1  -50    0   12 o   71.086   9.9424   37.909   9.0412   0.0000   0.0000   37.909   9.0412   71.086   9.9424   71.086   9.9424 -0.000000 0.000000 
1 1 1  -50    0   13 o  105.495   7.7720   79.125   10.972   0.0000   0.0000   79.125   10.972  105.495   7.7720  105.495   7.7720 -0.000000 0.000000 
1 1 1  -50    0   14 o  114.070   7.5480   92.050   11.551   0.0000   0.0000   92.050   11.551  114.070   7.5480  114.070   7.5480 -0.000000 0.000000 
1 1 1  -50    0   15 o   73.802   14.957   44.694   13.245   0.0000   0.0000   44.694   13.245   73.802   14.957   73.802   14.957 -0.000000 0.000000 
1 1 1  -50    0   16 o   78.766   13.792   49.301   13.371   0.0000   0.0000   49.301   13.371   78.766   13.792   78.766   13.792 -0.000000 0.000000 
1 1 1  -50    0   17 o   62.657   16.985   34.912   12.465   0.0000   0.0000   34.912   12.465   62.657   16.985   62.657   16.985 -0.000000 0.000000 
1 1 1  -50    0   18 o   78.395   9.6504   45.412   9.8354   0.0000   0.0000   45.412   9.8354   78.395   9.6504   78.395   9.6504 -0.000000 0.000000 
1 1 1  -50    0   19 o   50.070   14.450   22.141   8.5050   0.0000   0.0000   22.141   8.5050   50.070   14.450   50.070   14.450 -0.000000 0.000000 
1 1 1  -50    0   20 o  102.780   8.2514   75.455   11.322   0.0000   0.0000   75.455   11.322  102.780   8.2514  102.780   8.2514 -0.000000 0.000000 
1 1 1  -50    0   21 o  159.177   7.1044  177.228   15.255   0.0000   0.0000  177.228   15.255  159.177   7.1044  159.177   7.1044 -0.000000 0.000000 
1 1 1  -50    0   22 o   82.626   9.5241   50.128   10.296   0.0000   0.0000   50.128   10.296   82.626   9.5241   82.626   9.5241 -0.000000 0.000000 
1 1 1  -50    0   23 o  154.235   7.2548  166.652   15.087   0.0000   0.0000  166.652   15.087  154.235   7.2548  154.235   7.2548 -0.000000 0.000000 
1 1 1  -50    0   24 o  229.222   7.1454  366.522   22.147   0.0000   0.0000  366.522   22.147  229.222   7.1454  229.222   7.1454 -0.000000 0.000000 
1 1 1  -50    0   25 o   25.467   14.813   6.6256   8.4189   0.0000   0.0000   6.6256   8.4189   25.467   14.813   25.467   14.813 -0.000000 0.000000 
1 1 1  -50    0   26 o  230.639   7.1899  371.188   22.422   0.0000   0.0000  371.188   22.422  230.639   7.1899  230.639   7.1899 -0.000000 0.000000 
1 1 1  -50    0   27 o  150.663   7.3629  159.227   14.951   0.0000   0.0000  159.227   14.951  150.663   7.3629  150.663   7.3629 -0.000000 0.000000 
1 1 1  -50    0   28 o   99.917   8.7438   71.809   11.631   0.0000   0.0000   71.809   11.631   99.917   8.7438   99.917   8.7438 -0.000000 0.000000 
1 1 1  -50    0   29 o  164.570   7.2997  189.700   16.207   0.0000   0.0000  189.700   16.207  164.570   7.2997  164.570   7.2997 -0.000000 0.000000 
1 1 1  -50    0   30 o  115.395   7.9847   94.495   12.349   0.0000   0.0000   94.495   12.349  115.395   7.9847  115.395   7.9847 -0.000000 0.000000 
1 1 1  -50    0   31 o   30.384   15.885   10.515   8.5832   0.0000   0.0000   10.515   8.5832   30.384   15.885   30.384   15.885 -0.000000 0.000000 
1 1 1  -50    0   32 o   51.617   19.531   27.660   12.812   0.0000   0.0000   27.660   12.812   51.617   19.531   51.617   19.531 -0.000000 0.000000 
1 1 1  -50    0   33 o   64.312   17.432   36.956   13.132   0.0000   0.0000   36.956   13.132   64.312   17.432   64.312   17.432 -0.000000 0.000000 
1 1 1  -50    0   34 o   85.081   9.4331   57.017   9.8261   60.359   13.146   52.787   14.791   89.546   11.327   80.615   15.088 -0.000000 0.000000 
1 1 1  -50    0   35 o   95.513   8.2459   68.108   10.187   62.683   13.536   75.193   15.469   91.202   11.440   99.825   11.879 -0.000000 0.000000 
1 1 1  -50    0   36 o   93.312   8.4470   64.847   10.068   55.457   13.253   77.661   15.482   84.950   12.254  101.674   11.630 -0.000000 0.000000 
1 1 1  -50    0   37 o   92.238   8.3431   63.735   9.8902   57.372   13.114   72.127   15.061   86.816   11.754   97.660   11.844 -0.000000 0.000000 
1 1 1  -50    0   38 o   83.337   10.705   58.753   9.8861   76.419   13.615   39.053   14.378  101.992   10.077   64.682   18.890 -0.000000 0.000000 
1 1 1  -50    0   39 o  113.232   7.8001   95.185   11.654   95.530   15.816   94.775   17.238  113.968   10.442  112.496   11.590 -0.000000 0.000000 
1 1 1  -50    0   40 o  112.186   10.460   92.729   15.584   92.729   15.584   0.0000   0.0000  112.186   10.460  112.186   10.460 -0.000000 0.000000 
1 1 1  -50    0   41 o   49.338   17.172   23.913   10.375   23.913   10.375   0.0000   0.0000   49.338   17.172   49.338   17.172 -0.000000 0.000000 
1 1 1  -50    0   42 o   45.786   13.452   22.552   8.2405   19.626   10.721   26.776   12.882   41.952   18.225   49.620   19.792 -0.000000 0.000000 
1 1 1  -50    0   43 o   27.644   11.561   8.2137   7.3688   8.3514   9.4548   8.0006   11.761   27.433   15.811   27.855   16.871 -0.000000 0.000000 
1 1 1  -50    0   44 o   52.222   10.678   23.903   8.4191   7.1153   10.896   48.776   13.263   26.689   16.202   77.754   13.913 -0.000000 0.000000 
1 1 1  -50    0   45 o   33.070   12.256   11.471   7.7017   5.0615   10.057   20.560   11.976   24.462   15.177   41.677   19.249 -0.000000 0.000000 
1 1 1  -50    0   46 o   84.832   10.417   59.537   10.393   70.002   14.330   47.924   15.095   95.968   11.449   73.696   17.405 -0.000000 0.000000 
1 1 1  -50    0   47 o   49.586   13.526   26.668   8.7062   28.205   11.707   24.767   13.022   53.155   18.118   46.016   20.088 -0.000000 0.000000 
1 1 1  -50    0   48 o   84.993   9.4489   57.322   10.029   54.814   13.439   60.474   15.068   83.289   12.807   86.697   13.896 -0.000000 0.000000 
1 1 1  -50    0   49 o   50.006   13.542   27.170   8.7404   28.715   11.883   25.348   12.902   53.328   18.294   46.684   19.972 -0.000000 0.000000 
1 1 1  -50    0   50 o  119.467   8.0609  108.313   12.649  121.136   17.915   95.567   17.861  127.581   10.527  111.354   12.210 -0.000000 0.000000 
1 1 1  -50    0   51 o   39.088   19.762   19.854   13.002   0.0000   0.0000   19.854   13.002   39.088   19.762   39.088   19.762 -0.000000 0.000000 
1 1 1  -50    0   52 o   53.529   20.043   31.377   13.565   0.0000   0.0000   31.377   13.565   53.529   20.043   53.529   20.043 -0.000000 0.000000 
1 1 1  -50    0   53 o   62.917   18.954   39.021   14.090   0.0000   0.0000   39.021   14.090   62.917   18.954   62.917   18.954 -0.000000 0.000000 
1 1 1  -50    0   54 o  161.093   10.671  194.268   23.061   0.0000   0.0000  194.268   23.061  161.093   10.671  161.093   10.671 -0.000000 0.000000 
1 1 1  -50    0   55 o   34.999   18.869   16.596   12.426   0.0000   0.0000   16.596   12.426   34.999   18.869   34.999   18.869 -0.000000 0.000000 
1 1 1  -50    1    5 o   91.884   8.2514   62.247   10.274   62.247   10.274   0.0000   0.0000   91.884   8.2514  ?   ?       ?      ? 
1 1 1  -50    1    6 o   65.815   13.571   36.842   11.701   36.842   11.701   0.0000   0.0000   65.815   13.571  ?   ?       ?      ? 
1 1 1  -50    1    7 o   65.309   13.671   36.280   11.710   36.280   11.710   0.0000   0.0000   65.309   13.671  ?   ?       ?      ? 
1 1 1  -50    1    8 o  106.170   10.510   86.669   15.121   86.669   15.121   0.0000   0.0000  106.170   10.510  ?   ?       ?      ? 
1 1 1  -50    1    9 o   54.066   14.833   25.966   11.195   25.966   11.195   0.0000   0.0000   54.066   14.833  ?   ?       ?      ? 
1 1 1  -50    1   10 o  118.146   7.3607  100.625   11.785  100.625   11.785   0.0000   0.0000  118.146   7.3607  ?   ?       ?      ? 
1 1 1  -50    1   11 o   41.983   12.718   14.642   7.8593   14.642   7.8593   0.0000   0.0000   41.983   12.718  ?   ?       ?      ? 
1 1 1  -50    1   12 o  127.806   7.2181  117.286   12.501  117.286   12.501   0.0000   0.0000  127.806   7.2181  ?   ?       ?      ? 
1 1 1  -50    1   13 o   79.653   8.0613   47.413   7.9652   44.605   9.4462   54.320   14.817   77.674   8.9743   81.633   13.394 -3.958870 16.12259 
1 1 1  -50    1   14 o   75.899   6.3611   42.674   6.5196   39.656   9.3351   45.547   9.1093   72.951   9.4429   78.846   8.5256 -5.895172 12.72220 
1 1 1  -50    1   15 o   64.824   7.0023   31.509   6.1447   32.746   8.9452   30.404   8.4554   65.960   10.008   63.689   9.7969 2.270458 14.00469 
1 1 1  -50    1   16 f   66.813   6.9364   33.392   6.2585   37.072   9.0124   29.963   8.6977   70.614   9.4182   63.012   10.186 7.602619 13.87279 
1 1 1  -50    1   17 o   72.012   6.7235   38.678   6.5355   35.337   9.2904   41.950   9.1954   68.588   9.9955   75.436   8.9952 -6.848221 13.44703 
1 1 1  -50    1   18 o  133.611   5.1505  127.827   9.3220  129.934   13.407  125.855   12.971  134.611   7.3494  132.611   7.2178 2.000290 10.30096 
1 1 1  -50    1   19 o   78.044   6.5576   45.256   6.8276   36.408   9.5552   54.486   9.7593   69.571   10.135   86.517   8.3240 -16.94622 13.11521 
1 1 1  -50    1   20 o   71.087   6.9689   37.744   6.7040   35.171   9.3333   40.486   9.6357   68.446   10.063   73.729   9.6441 -5.283501 13.93781 
1 1 1  -50    1   21 o  127.229   6.9375  122.738   10.994  126.475   13.369  114.931   19.321  132.788   7.4294  121.670   11.718 11.11786 13.87509 
1 1 1  -50    1   22 o  119.797   7.0474  108.915   10.532  111.920   12.814  102.658   18.490  124.786   7.5779  114.808   11.884 9.978256 14.09472 
1 1 1  -50    1   23 o   40.107   9.5342   13.079   6.1429   11.905   8.8248   14.182   8.5562   38.687   13.590   41.526   13.376 -2.838821 19.06831 
1 1 1  -50    1   24 o  104.568   5.8272   79.221   8.2446   85.497   11.940   73.502   11.398  108.627   8.1115  100.509   8.3682 8.117149 11.65432 
1 1 1  -50    1   25 o   28.114   8.5376   1.8816   5.8581   2.9219   8.3149   0.8562   8.2547   29.007   12.270   27.221   11.875 1.785711 17.07526 
1 1 1  -50    1   26 o   93.424   6.3707   64.568   7.9204   51.089   11.105   78.522   11.299   82.656   9.9147  104.191   8.0027 -21.53525 12.74145 
1 1 1  -50    1   27 o   35.500   9.4534   8.9485   6.2811   6.2414   8.9021   11.632   8.8635   32.625   13.129   38.374   13.605 -5.748310 18.90680 
1 1 1  -50    1   28 o  125.941   6.6665  117.417   10.716  117.781   18.422  117.231   13.174  124.205   10.945  127.677   7.6141 -3.472420 13.33305 
1 1 1  -50    1   29 o  138.802   6.4890  141.976   11.520  142.653   19.744  141.627   14.186  137.111   10.626  140.494   7.4509 -3.383011 12.97808 
1 1 1  -50    1   30 o   85.975   6.5922   54.953   7.6355   49.783   10.956   59.836   10.647   81.547   9.9146   90.402   8.6908 -8.854973 13.18439 
1 1 1  -50    1   31 o   82.724   8.6792   56.164   8.7306   61.901   10.976   46.279   14.406   91.826   8.8202   73.621   14.950 18.20565 17.35839 
1 1 1  -50    1   32 o  137.521   5.9150  134.403   9.5408  130.993   10.993  144.813   19.207  136.464   5.9444  138.578   10.228 -2.113434 11.82995 
1 1 1  -50    1   33 o   82.368   7.2232   49.611   6.9592   48.062   8.0123   54.370   14.043   81.934   7.2163   82.803   12.515 -0.8692474 14.44637 
1 1 1  -50    1   34 o   73.918   7.4731   37.481   6.5682   33.376   7.5041   50.927   13.581   67.746   8.1740   80.091   12.513 -12.34479 14.94620 
1 1 1  -50    1   35 o   75.531   8.7053   47.861   7.6703   38.500   13.586   52.241   9.2932   66.271   15.418   84.791   8.0879 -18.51978 17.41051 
1 1 1  -50    1   36 o   74.588   9.3526   55.224   8.1721   22.823   14.073   71.707   10.038   49.331   17.171   99.845   7.4187 -50.51412 18.70512 
1 1 1  -50    1   37 o   80.364   7.3574   48.681   7.6907   50.708   12.829   47.544   9.6085   80.431   11.771   80.297   8.8303 0.1335373 14.71478 
1 1 1  -50    1   38 o  117.254   6.1859  100.101   9.3992  105.648   15.899   97.121   11.654  118.380   9.9108  116.128   7.4054 2.252213 12.37187 
1 1 1  -50    1   39 o   54.927   8.0223   24.087   5.7735   25.458   8.1347   22.696   8.1956   56.815   10.963   53.040   11.715 3.775349 16.04452 
1 1 1  -50    1   40 o  130.679   5.0751  122.759   8.9821  117.726   12.663  127.856   12.743  127.844   7.3091  133.515   7.0429 -5.670410 10.15016 
1 1 1  -50    1   41 o   34.082   8.6135   8.3885   5.3000   3.9229   7.5051   12.831   7.4857   28.710   11.864   39.453   12.491 -10.74238 17.22706 
1 1 1  -50    1   42 o  103.899   5.5391   78.636   7.7890   73.909   10.958   83.463   11.074  100.548   8.0421  107.252   7.6193 -6.703926 11.07828 
1 1 1  -50    1   43 o   67.333   8.1504   34.455   7.1033   29.508   8.8561   43.378   11.894   60.883   11.145   73.783   11.896 -12.90057 16.30076 
1 1 1  -50    1   44 o   71.614   8.6665   44.129   7.5155   50.802   9.4657   32.747   12.362   82.939   8.4219   60.289   15.149 22.64948 17.33307 
1 1 1  -50    1   45 o  103.952   5.5851   79.104   7.8484   72.290   10.970   86.250   11.234   99.097   8.1687  108.808   7.6186 -9.710991 11.17013 
1 1 1  -50    1   46 o  108.196   5.5934   85.875   8.1884   86.206   11.912   85.578   11.274  108.163   8.1271  108.228   7.6872 -0.6430054E-01 11.18671 
1 1 1  -50    1   47 o  121.270   5.3323  107.343   8.7599  106.788   12.531  107.873   12.250  120.835   7.6527  121.706   7.4277 -0.8715668 10.66462 
1 1 1  -50    1   48 o  133.092   5.2390  129.282   9.4367  122.738   13.384  135.752   13.308  129.455   7.6291  136.729   7.1823 -7.273453 10.47800 
1 1 1  -50    1   49 o  121.041   6.7365  108.460   10.401  101.388   12.598  123.596   18.432  117.176   7.9339  124.906   10.889 -7.729774 13.47297 
1 1 1  -50    1   50 o   52.619   10.036   27.178   7.6189   31.445   9.3055   18.500   13.270   61.848   11.527   43.390   16.433 18.45726 20.07282 
1 1 1  -50    1   51 o  120.900   6.8939  109.674   10.549  103.283   12.712  123.801   18.901  117.963   7.9525  123.837   11.263 -5.874001 13.78772 
1 1 1  -50    1   52 o   37.767   9.9139   12.838   6.9834   15.417   8.4013   7.0730   12.562   41.468   13.244   34.065   14.756 7.402519 19.82777 
1 1 1  -50    1   53 o   75.705   10.633   53.261   10.693   59.442   15.187   47.186   15.058   82.206   13.633   69.205   16.321 13.00046 21.26567 
1 1 1  -50    1   54 f   83.668   10.008   63.151   10.986   54.454   15.348   72.287   15.732   75.495   15.521   91.841   12.640 -16.34591 20.01688 
1 1 1  -50    2    1 o   25.954   11.223   1.7900   7.2403   1.7900   7.2403   0.0000   0.0000   25.954   11.223  ?   ?       ?      ? 
1 1 1  -50    2    2 o   48.205   12.053   19.603   7.8528   19.603   7.8528   0.0000   0.0000   48.205   12.053  ?   ?       ?      ? 
1 1 1  -50    2    3 o   68.221   9.3579   35.368   8.6513   35.368   8.6513   0.0000   0.0000   68.221   9.3579  ?   ?       ?      ? 
1 1 1  -50    2    4 o   50.111   11.881   20.861   7.9458   20.861   7.9458   0.0000   0.0000   50.111   11.881  ?   ?       ?      ? 
1 1 1  -50    2    5 o   70.016   9.2346   36.970   8.7619   36.970   8.7619   0.0000   0.0000   70.016   9.2346  ?   ?       ?      ? 
1 1 1  -50    2    6 o   53.063   11.692   23.036   8.1810   23.036   8.1810   0.0000   0.0000   53.063   11.692  ?   ?       ?      ? 
1 1 1  -50    2    7 o  154.378   6.9414  171.379   14.521  171.379   14.521   0.0000   0.0000  154.378   6.9414  ?   ?       ?      ? 
1 1 1  -50    2    8 o   54.478   11.457   23.962   8.1900   23.962   8.1900   0.0000   0.0000   54.478   11.457  ?   ?       ?      ? 
1 1 1  -50    2    9 o   49.158   12.288   20.035   8.1632   20.035   8.1632   0.0000   0.0000   49.158   12.288  ?   ?       ?      ? 
1 1 1  -50    2   10 o  108.761   7.5485   85.661   11.125   85.661   11.125   0.0000   0.0000  108.761   7.5485  ?   ?       ?      ? 
1 1 1  -50    2   11 o  124.347   7.2757  111.360   12.260  111.360   12.260   0.0000   0.0000  124.347   7.2757  ?   ?       ?      ? 
1 1 1  -50    2   12 o  160.080   6.9786  183.543   15.139  183.543   15.139   0.0000   0.0000  160.080   6.9786  ?   ?       ?      ? 
1 1 1  -50    2   13 o  133.326   7.2771  127.825   13.148  127.825   13.148   0.0000   0.0000  133.326   7.2771  ?   ?       ?      ? 
1 1 1  -50    2   14 o  102.446   7.8651   76.143   10.919   76.143   10.919   0.0000   0.0000  102.446   7.8651  ?   ?       ?      ? 
1 1 1  -50    2   15 o   72.083   9.3560   38.693   9.1391   38.693   9.1391   0.0000   0.0000   72.083   9.3560  ?   ?       ?      ? 
1 1 1  -50    2   16 o   65.216   10.224   32.193   9.0358   32.193   9.0358   0.0000   0.0000   65.216   10.224  ?   ?       ?      ? 
1 1 1  -50    2   17 o   36.628   12.938   10.497   8.0085   10.497   8.0085   0.0000   0.0000   36.628   12.938  ?   ?       ?      ? 
1 1 1  -50    2   18 o  105.136   6.6840   76.813   9.0464   65.777   10.923  100.911   16.141   94.822   8.5007  115.450   10.317 -20.62739 13.36805 
1 1 1  -50    2   19 o  139.596   5.0780  139.666   9.5925  134.045   13.721  145.040   13.416  136.601   7.4122  142.590   6.9430 -5.988678 10.15606 
1 1 1  -50    2   20 f   90.483   6.1056   59.661   7.4162   71.300   10.875   49.544   10.140   99.101   8.0980   81.865   9.1398 17.23589 12.21120 
1 1 1  -50    2   21 o   79.286   6.6062   46.760   7.0652   42.465   10.064   50.934   9.9211   75.292   9.8635   83.280   8.7910 -7.988884 13.21247 
1 1 1  -50    2   22 o  151.916   6.4685  171.234   12.349  167.857   21.703  172.851   15.016  148.324   10.798  155.508   7.1257 -7.183762 12.93702 
1 1 1  -50    2   23 o   66.093   9.5608   37.821   7.8151   30.306   13.726   41.426   9.5063   57.465   16.658   74.721   9.3883 -17.25563 19.12156 
1 1 1  -50    2   24 o  155.374   6.3031  173.868   12.460  188.712   22.012  166.871   15.114  158.144   10.271  152.605   7.3084 5.539368 12.60611 
1 1 1  -50    2   25 o   65.800   9.8403   35.618   8.1852   35.053   9.9960   36.768   14.260   67.732   10.891   63.868   16.393 3.863190 19.68069 
1 1 1  -50    2   26 o  146.043   6.8583  161.682   12.580  167.199   15.416  150.683   21.765  152.586   7.4556  139.501   11.513 13.08514 13.71657 
1 1 1  -50    2   27 o   94.715   6.1439   65.720   7.8579   72.743   11.252   59.034   10.978   99.961   8.3067   89.469   9.0548 10.49226 12.28781 
1 1 1  -50    2   28 o  148.072   5.3159  157.815   10.614  139.439   14.886  176.819   15.139  138.833   7.9124  157.311   7.1014 -18.47794 10.63188 
1 1 1  -50    2   29 o   84.979   6.7703   53.646   7.6319   68.159   11.157   40.886   10.462   96.559   8.5268   73.399   10.519 23.16035 13.54051 
1 1 1  -50    2   30 o   93.103   7.6682   67.672   9.2034   72.550   11.729   59.858   14.846   99.453   8.7030   86.753   12.628 12.69926 15.33645 
1 1 1  -50    2   31 o  143.116   5.8224  144.939   9.8469  140.615   11.376  157.863   19.666  141.353   5.9387  144.880   10.017 -3.527359 11.64485 
1 1 1  -50    2   32 o   98.701   6.8340   74.767   7.8235   77.198   9.1272   68.034   15.190  104.370   6.4533   93.032   12.049 11.33775 13.66803 
1 1 1  -50    2   33 o   41.364   8.5371   14.586   6.5310   23.592   7.9791  -3.6969   11.368   54.653   11.151   28.074   12.930 26.57884 17.07428 
1 1 1  -50    2   34 o   63.212   9.1703   34.194   7.3044   37.831   9.0493   27.394   12.374   71.299   9.3659   55.125   15.769 16.17404 18.34062 
1 1 1  -50    2   35 o   74.837   8.2945   45.477   6.8238   47.068   7.9062   40.827   13.512   81.003   7.2026   68.672   14.944 12.33060 16.58897 
1 1 1  -50    2   36 o  101.724   6.3067   70.759   7.6716   64.698   8.8198   89.593   15.549   95.205   6.8363  108.243   10.600 -13.03821 12.61341 
1 1 1  -50    2   37 f  147.192   4.9571  155.152   9.8876  156.019   13.980  154.285   13.986  147.628   6.9882  146.756   7.0325 0.8726044 9.914203 
1 1 1  -50    2   38 o  163.393   6.3268  196.961   12.942  199.867   23.107  195.633   15.623  161.517   10.557  165.270   6.9757 -3.752945 12.65368 
1 1 1  -50    2   39 o  118.798   6.8034  107.139   10.043  102.756   17.829  109.176   12.155  114.485   11.492  123.110   7.2859 -8.624565 13.60677 
1 1 1  -50    2   40 o  107.910   5.3950   84.354   7.8724   91.901   11.317   77.277   10.958  112.788   7.4041  103.031   7.8486 9.757011 10.78991 
1 1 1  -50    2   41 o   75.024   6.4061   42.075   6.4550   35.877   9.0618   48.459   9.1973   68.892   9.7064   81.157   8.3629 -12.26439 12.81221 
1 1 1  -50    2   42 f   42.360   8.8327   14.886   5.5479   19.110   8.0087   10.988   7.6927   47.920   12.278   36.801   12.702 11.11861 17.66545 
1 1 1  -50    2   43 o  160.278   4.9648  184.995   10.782  184.278   15.367  185.690   15.131  159.876   7.0929  160.681   6.9490 -0.8052673 9.929670 
1 1 1  -50    2   44 o   55.799   8.1475   25.285   6.0584   20.641   8.6405   29.776   8.4971   49.277   12.818   62.321   10.061 -13.04477 16.29500 
1 1 1  -50    2   45 o   71.776   8.0608   41.770   7.2771   43.990   9.2671   38.198   11.753   76.629   8.9241   66.924   13.426 9.705582 16.12169 
1 1 1  -50    2   46 o   47.452   12.693   19.248   8.3215   19.248   8.3215   0.0000   0.0000   47.452   12.693  ?   ?       ?      ? 
1 1 1  -50    2   47 o   70.503   9.3992   45.061   8.0564   51.187   9.9542   33.429   13.717   82.493   8.9044   58.514   16.556 23.97862 18.79845 
1 1 1  -50    2   48 o   52.003   10.530   22.686   7.2482   18.565   8.5766   32.984   13.559   46.033   13.114   57.973   16.480 -11.93948 21.06095 
1 1 1  -50    2   49 o   33.137   9.6590   7.0915   6.5780   6.3141   7.8726   8.8895   11.973   30.866   12.372   35.408   14.836 -4.541965 19.31803 
1 1 1  -50    2   50 o   58.000   10.232   30.271   7.5846   29.266   9.0777   32.597   13.804   59.338   11.705   56.662   16.785 2.676067 20.46329 
1 1 1  -50    2   51 o   47.032   9.0377   22.017   7.2420   31.218   8.9293   4.3326   12.380   61.801   11.068   32.263   14.290 29.53779 18.07545 
1 1 1  -50    2   52 o   60.633   10.252   33.156   7.8275   31.548   9.3690   36.874   14.244   61.383   11.690   59.883   16.845 1.499538 20.50429 
1 1 1  -50    2   53 o  115.719   8.2974  111.094   13.001  106.191   17.961  116.489   18.842  113.062   11.723  118.375   11.746 -5.312820 16.59480 
1 1 1  -50    2   54 o  119.491   8.1754  118.815   13.212  121.871   18.366  115.538   19.021  121.921   11.116  117.061   11.991 4.859627 16.35084 
1 1 1  -50    3    1 o   32.191   12.154   7.9550   7.2442   7.9550   7.2442   0.0000   0.0000   32.191   12.154  ?   ?       ?      ? 
1 1 1  -50    3    2 o   78.377   8.6419   46.229   9.1787   46.229   9.1787   0.0000   0.0000   78.377   8.6419  ?   ?       ?      ? 
1 1 1  -50    3    3 o   89.675   8.0984   59.651   9.8413   59.651   9.8413   0.0000   0.0000   89.675   8.0984  ?   ?       ?      ? 
1 1 1  -50    3    4 o   70.521   9.2646   37.777   8.8538   37.777   8.8538   0.0000   0.0000   70.521   9.2646  ?   ?       ?      ? 
1 1 1  -50    3    5 o   26.786   11.349   2.7049   7.1328   2.7049   7.1328   0.0000   0.0000   26.786   11.349  ?   ?       ?      ? 
1 1 1  -50    3    6 o   71.998   9.1764   39.116   8.9532   39.116   8.9532   0.0000   0.0000   71.998   9.1764  ?   ?       ?      ? 
1 1 1  -50    3    7 o   52.515   11.725   22.659   8.1334   22.659   8.1334   0.0000   0.0000   52.515   11.725  ?   ?       ?      ? 
1 1 1  -50    3    8 o  105.868   7.6995   81.786   11.046   81.786   11.046   0.0000   0.0000  105.868   7.6995  ?   ?       ?      ? 
1 1 1  -50    3    9 o   55.454   11.339   24.793   8.2335   24.793   8.2335   0.0000   0.0000   55.454   11.339  ?   ?       ?      ? 
1 1 1  -50    3   10 o   61.912   9.9848   29.220   8.3772   29.220   8.3772   0.0000   0.0000   61.912   9.9848  ?   ?       ?      ? 
1 1 1  -50    3   11 o   40.030   12.634   13.353   7.6625   13.353   7.6625   0.0000   0.0000   40.030   12.634  ?   ?       ?      ? 
1 1 1  -50    3   12 o   50.191   11.924   20.628   7.9903   20.628   7.9903   0.0000   0.0000   50.191   11.924  ?   ?       ?      ? 
1 1 1  -50    3   13 o  121.331   7.5210  106.527   12.366  106.527   12.366   0.0000   0.0000  121.331   7.5210  ?   ?       ?      ? 
1 1 1  -50    3   14 o   43.826   15.472   17.022   11.451   17.022   11.451   0.0000   0.0000   43.826   15.472  ?   ?       ?      ? 
1 1 1  -50    3   15 o   99.974   11.616   78.455   15.738   78.455   15.738   0.0000   0.0000   99.974   11.616  ?   ?       ?      ? 
1 1 1  -50    3   16 o   53.541   16.032   26.345   12.543   26.345   12.543   0.0000   0.0000   53.541   16.032  ?   ?       ?      ? 
1 1 1  -50    3   17 o   91.304   12.064   65.963   14.927   65.963   14.927   0.0000   0.0000   91.304   12.064  ?   ?       ?      ? 
1 1 1  -50    3   18 o   87.060   8.5836   55.684   10.127   55.684   10.127   0.0000   0.0000   87.060   8.5836  ?   ?       ?      ? 
1 1 1  -50    3   19 o   82.375   8.8436   50.064   9.8721   50.064   9.8721   0.0000   0.0000   82.375   8.8436  ?   ?       ?      ? 
1 1 1  -50    3   20 o  150.575   7.2805  162.826   14.856  162.826   14.856   0.0000   0.0000  150.575   7.2805  ?   ?       ?      ? 
1 1 1  -50    3   21 o  103.452   8.1430   77.926   11.416   77.926   11.416   0.0000   0.0000  103.452   8.1430  ?   ?       ?      ? 
1 1 1  -50    3   22 o   99.189   8.3306   71.849   11.198   71.849   11.198   0.0000   0.0000   99.189   8.3306  ?   ?       ?      ? 
1 1 1  -50    3   23 o  189.335   5.0309  256.310   12.900  267.698   18.629  245.818   17.880  193.380   7.1086  185.291   7.1209 8.088318 10.06179 
1 1 1  -50    3   24 o  101.763   5.8591   75.832   8.0346   68.129   11.466   83.263   11.262   96.206   8.7949  107.319   7.7436 -11.11316 11.71812 
1 1 1  -50    3   25 o  168.737   5.0929  204.369   11.624  192.650   16.542  215.802   16.338  163.614   7.4608  173.860   6.9346 -10.24571 10.18587 
1 1 1  -50    3   26 o  111.093   5.7282   89.901   8.6007   86.949   12.476   92.574   11.873  109.024   8.4441  113.162   7.7425 -4.137863 11.45646 
1 1 1  -50    3   27 o  175.775   6.7694  236.489   14.581  214.122   26.044  246.700   17.597  165.744   11.596  185.807   6.9886 -20.06261 13.53874 
1 1 1  -50    3   28 o   77.966   15.490   52.962   15.789   52.962   15.789   0.0000   0.0000   77.966   15.490  ?   ?       ?      ? 
1 1 1  -50    3   29 o   92.609   8.0665   62.365   10.123   62.365   10.123   0.0000   0.0000   92.609   8.0665  ?   ?       ?      ? 
1 1 1  -50    3   30 o  157.580   5.8531  172.894   10.683  165.268   12.182  198.286   22.229  153.225   5.8667  161.934   10.130 -8.708893 11.70614 
1 1 1  -50    3   31 o   62.156   8.6122   30.447   6.1261   29.972   7.0472   31.917   12.393   64.156   8.1058   60.155   15.198 4.000778 17.22432 
1 1 1  -50    3   32 o   87.635   7.1242   58.404   7.1688   58.893   8.2724   56.928   14.366   90.914   6.7145   84.355   12.567 6.558853 14.24843 
1 1 1  -50    3   33 o  113.483   6.2779   92.137   8.3794   89.045   9.6568  101.563   16.859  112.054   6.3595  114.912   10.826 -2.857277 12.55583 
1 1 1  -50    3   34 f   65.477   8.4983   31.960   6.3745   29.668   7.3003   39.317   13.079   63.569   8.4744   67.386   14.733 -3.816681 16.99653 
1 1 1  -50    3   35 o   99.461   6.6168   72.065   7.7290   70.195   8.9231   77.681   15.466   99.250   6.6344   99.672   11.450 -0.4221115 13.23357 
1 1 1  -50    3   36 o   49.930   9.6637   20.342   6.0856   19.298   6.9915   23.605   12.362   49.361   10.756   50.499   16.058 -1.137333 19.32744 
1 1 1  -50    3   37 o  138.837   5.8172  133.620   9.6330  125.502   11.109  158.218   19.338  133.096   6.1595  144.578   9.8701 -11.48239 11.63439 
1 1 1  -50    3   38 o   30.585   8.6550   5.6433   5.5309   8.3081   6.4160  -2.0651   10.912   32.999   11.588   28.171   12.859 4.827866 17.31008 
1 1 1  -50    3   39 o   36.263   8.7320   10.428   5.1872   12.833   7.5179   8.2420   7.1663   39.344   12.524   33.182   12.171 6.161572 17.46409 
1 1 1  -50    3   40 o   60.982   7.6309   28.861   6.0342   39.368   9.0059   20.301   8.1288   72.498   9.1668   49.467   12.202 23.03053 15.26175 
1 1 1  -50    3   41 o   44.372   10.087   17.447   6.6752   16.211   12.371   17.955   7.9284   42.485   15.915   46.259   12.396 -3.773815 20.17313 
1 1 1  -50    3   42 o  110.672   6.5233   87.640   9.2610   78.713   11.198  106.963   16.474  103.586   7.9773  117.757   10.324 -14.17094 13.04661 
1 1 1  -50    3   43 o   66.952   9.2998   42.750   7.7169   52.514   9.5263   24.115   13.161   84.238   8.3451   49.667   16.622 34.57140 18.59950 
1 1 1  -50    3   44 o   43.000   10.193   16.312   6.7585   15.908   8.2048   17.165   11.920   42.941   12.991   43.059   15.712 -0.1188660 20.38701 
1 1 1  -50    3   45 o   36.374   9.7239   8.1522   6.3675   3.2828   7.6790   18.869   11.392   27.934   11.802   44.813   15.457 -16.87899 19.44780 
1 1 1  -50    3   46 o   73.447   8.6509   42.337   7.8160   38.581   9.3661   50.953   14.185   70.849   9.7553   76.045   14.289 -5.195610 17.30176 
1 1 1  -50    3   47 o   88.725   8.5405   58.965   10.269   58.965   10.269   0.0000   0.0000   88.725   8.5405  ?   ?       ?      ? 
1 1 1  -50    3   48 o   58.194   12.088   28.457   9.2208   28.457   9.2208   0.0000   0.0000   58.194   12.088  ?   ?       ?      ? 
1 1 1  -50    3   49 o   37.404   10.142   10.203   6.7031   6.5942   7.9687   18.937   12.396   31.073   12.450   43.735   16.013 -12.66228 20.28352 
1 1 1  -50    3   50 o   88.246   9.0994   66.100   10.849   60.074   14.805   73.091   15.946   83.651   13.060   92.842   12.674 -9.190483 18.19887 
1 1 1  -50    3   51 o   45.411   11.458   20.982   8.8855   17.946   11.933   24.760   13.312   42.480   15.686   48.341   16.707 -5.861225 22.91658 
1 1 1  -50    3   52 o   37.578   10.726   12.717   8.4187   12.887   11.384   12.512   12.507   37.677   14.952   37.479   15.382 0.1971893 21.45140 
1 1 1  -50    4    1 o   50.723   16.040   26.187   12.347   26.187   12.347   0.0000   0.0000   50.723   16.040  ?   ?       ?      ? 
1 1 1  -50    4    2 o  100.161   12.240   83.955   16.614   83.955   16.614   0.0000   0.0000  100.161   12.240  ?   ?       ?      ? 
1 1 1  -50    4    3 o  102.162   12.078   86.497   16.721   86.497   16.721   0.0000   0.0000  102.162   12.078  ?   ?       ?      ? 
1 1 1  -50    4    4 o   44.725   15.548   19.396   11.537   19.396   11.537   0.0000   0.0000   44.725   15.548  ?   ?       ?      ? 
1 1 1  -50    4    5 o   60.021   15.611   34.162   12.818   34.162   12.818   0.0000   0.0000   60.021   15.611  ?   ?       ?      ? 
1 1 1  -50    4    6 o   70.798   9.5364   38.372   9.1493   38.372   9.1493   0.0000   0.0000   70.798   9.5364  ?   ?       ?      ? 
1 1 1  -50    4    7 o   44.217   12.855   16.932   8.1637   16.932   8.1637   0.0000   0.0000   44.217   12.855  ?   ?       ?      ? 
1 1 1  -50    4    8 o   94.968   8.1173   66.634   10.446   66.634   10.446   0.0000   0.0000   94.968   8.1173  ?   ?       ?      ? 
1 1 1  -50    4    9 o   84.829   8.6269   53.647   9.9170   53.647   9.9170   0.0000   0.0000   84.829   8.6269  ?   ?       ?      ? 
1 1 1  -50    4   10 o  114.536   7.6891   95.850   11.934   95.850   11.934   0.0000   0.0000  114.536   7.6891  ?   ?       ?      ? 
1 1 1  -50    4   11 o  109.957   7.7040   88.263   11.479   88.263   11.479   0.0000   0.0000  109.957   7.7040  ?   ?       ?      ? 
1 1 1  -50    4   12 o   72.724   9.5958   40.076   9.4568   40.076   9.4568   0.0000   0.0000   72.724   9.5958  ?   ?       ?      ? 
1 1 1  -50    4   13 o   97.519   8.0576   69.742   10.648   69.742   10.648   0.0000   0.0000   97.519   8.0576  ?   ?       ?      ? 
1 1 1  -50    4   14 o   35.633   12.576   10.104   7.5650   10.104   7.5650   0.0000   0.0000   35.633   12.576  ?   ?       ?      ? 
1 1 1  -50    4   15 f   82.215   8.7241   50.117   9.7198   50.117   9.7198   0.0000   0.0000   82.215   8.7241  ?   ?       ?      ? 
1 1 1  -50    4   16 o   29.253   11.937   4.5510   7.4770   4.5510   7.4770   0.0000   0.0000   29.253   11.937  ?   ?       ?      ? 
1 1 1  -50    4   17 o   58.521   11.439   27.443   8.7464   27.443   8.7464   0.0000   0.0000   58.521   11.439  ?   ?       ?      ? 
1 1 1  -50    4   18 o   53.031   11.951   22.944   8.3830   22.944   8.3830   0.0000   0.0000   53.031   11.951  ?   ?       ?      ? 
1 1 1  -50    4   19 o  130.028   7.4855  122.246   13.190  122.246   13.190   0.0000   0.0000  130.028   7.4855  ?   ?       ?      ? 
1 1 1  -50    4   20 o   73.181   15.010   46.719   14.386   46.719   14.386   0.0000   0.0000   73.181   15.010  ?   ?       ?      ? 
1 1 1  -50    4   21 o  143.221   10.905  158.575   21.165  158.575   21.165   0.0000   0.0000  143.221   10.905  ?   ?       ?      ? 
1 1 1  -50    4   22 o   77.344   14.392   51.046   14.530   51.046   14.530   0.0000   0.0000   77.344   14.392  ?   ?       ?      ? 
1 1 1  -50    4   23 o  117.161   11.162  106.656   17.721  106.656   17.721   0.0000   0.0000  117.161   11.162  ?   ?       ?      ? 
1 1 1  -50    4   24 o   42.910   13.229   15.531   8.4561   15.531   8.4561   0.0000   0.0000   42.910   13.229  ?   ?       ?      ? 
1 1 1  -50    4   25 o   97.480   8.4760   69.822   11.197   69.822   11.197   0.0000   0.0000   97.480   8.4760  ?   ?       ?      ? 
1 1 1  -50    4   26 o   47.099   13.127   18.735   8.6914   18.735   8.6914   0.0000   0.0000   47.099   13.127  ?   ?       ?      ? 
1 1 1  -50    4   27 o  132.937   7.6127  127.917   13.714  127.917   13.714   0.0000   0.0000  132.937   7.6127  ?   ?       ?      ? 
1 1 1  -50    4   28 o   79.081   7.6754   49.128   6.7214   49.954   7.7760   46.690   13.367   83.568   6.8665   74.594   13.730 8.973686 15.35087 
1 1 1  -50    4   29 o  146.359   5.6717  153.661   9.9109  150.821   11.547  161.610   19.315  146.282   5.8249  146.435   9.7336 -0.1526031 11.34338 
1 1 1  -50    4   30 o   60.721   9.0138   32.638   6.3499   35.125   7.3278   25.139   12.723   69.540   7.7760   51.902   16.264 17.63775 18.02755 
1 1 1  -50    4   31 o  137.433   5.9652  133.433   11.110  133.433   11.110   0.0000   0.0000  137.433   5.9652  ?   ?       ?      ? 
1 1 1  -50    4   32 o   45.761   10.816   16.703   6.6014   16.703   6.6014   0.0000   0.0000   45.761   10.816  ?   ?       ?      ? 
1 1 1  -50    4   33 o   67.640   7.5846   29.969   6.2081   24.085   7.0970   49.144   12.812   56.755   9.2275   78.525   12.040 -21.77015 15.16916 
1 1 1  -50    4   34 o   49.859   9.3899   20.410   5.8485   19.657   6.7189   22.765   11.881   50.072   10.247   49.646   15.738 0.4263954 18.77982 
1 1 1  -50    4   35 o   93.969   6.5145   61.601   7.2852   56.882   8.3726   76.310   14.782   89.005   6.9416   98.934   11.026 -9.928474 13.02899 
1 1 1  -50    4   36 o   37.409   8.8302   12.139   5.6367   15.228   6.4885   2.6346   11.380   43.439   11.009   31.380   13.809 12.05894 17.66035 
1 1 1  -50    4   37 o   92.481   6.6437   58.175   7.3686   51.551   8.4500   79.199   15.054   84.350   7.3925  100.613   11.041 -16.26307 13.28748 
1 1 1  -50    4   38 o   86.983   7.6705   58.778   8.2654   58.592   9.9408   59.194   14.877   89.193   8.2244   84.773   12.950 4.420120 15.34092 
1 1 1  -50    4   39 o  109.855   6.6719   86.329   9.3672   77.041   11.274  107.030   16.832  102.309   8.1319  117.402   10.580 -15.09299 13.34389 
1 1 1  -50    4   40 o  124.277   6.6230  116.042   10.461  114.663   12.789  118.831   18.186  125.467   7.5220  123.087   10.903 2.380058 13.24604 
1 1 1  -50    4   41 o   93.829   7.3467   66.820   8.7621   63.948   10.640   72.869   15.444   92.772   8.4635   94.886   12.011 -2.113823 14.69331 
1 1 1  -50    4   42 o   81.465   10.115   58.477   10.538   39.196   14.741   78.626   15.070   63.398   16.864   99.531   11.173 -36.13320 20.22959 
1 1 1  -50    4   43 o   76.188   10.257   51.299   10.329   44.673   14.565   58.003   14.651   69.163   15.876   83.213   12.992 -14.05046 20.51475 
1 1 1  -50    4   44 o   82.309   7.7543   50.676   8.1427   44.847   9.7839   63.814   14.688   76.642   9.4203   87.976   12.320 -11.33374 15.50861 
1 1 1  -50    4   45 o   51.956   9.2164   26.313   7.1643   32.955   8.7601   12.897   12.450   65.220   9.9117   38.692   15.541 26.52780 18.43284 
1 1 1  -50    4   46 o   36.901   9.9440   11.570   6.7912   12.500   8.2182   9.5665   12.060   37.977   13.127   35.825   14.940 2.151833 19.88799 
1 1 1  -50    4   47 o  110.536   8.1332   99.222   12.155   90.913   16.727  108.517   17.692  105.286   11.724  115.785   11.276 -10.49965 16.26632 
1 1 1  -50    4   48 o  104.856   8.3901   90.286   11.866   79.879   16.099  102.663   17.558   97.839   12.143  111.873   11.581 -14.03334 16.78019 
1 1 1  -50    4   49 o   47.636   15.652   22.791   11.686   22.791   11.686   0.0000   0.0000   47.636   15.652  ?   ?       ?      ? 
1 1 1  -50    4   50 o   58.049   11.496   34.471   9.4284   35.841   12.724   32.803   14.040   60.701   15.434   55.397   17.041 5.303593 22.99137 
1 1 1  -50    4   51 o   98.079   8.6778   81.616   11.510   75.524   15.742   88.614   16.871   94.027   12.354  102.130   12.190 -8.102608 17.35569 
1 1 1  -50    5    2 o   69.790   9.6926   38.243   9.1667   38.243   9.1667   0.0000   0.0000   69.790   9.6926  ?   ?       ?      ? 
1 1 1  -50    5    3 o   39.984   12.791   14.287   7.8339   14.287   7.8339   0.0000   0.0000   39.984   12.791  ?   ?       ?      ? 
1 1 1  -50    5    4 f   27.140   11.600   3.0146   7.5674   3.0146   7.5674   0.0000   0.0000   27.140   11.600  ?   ?       ?      ? 
1 1 1  -50    5    5 o   53.575   12.284   24.646   8.7283   24.646   8.7283   0.0000   0.0000   53.575   12.284  ?   ?       ?      ? 
1 1 1  -50    5    6 o   23.350   10.651  -1.8479   7.4676  -1.8479   7.4676   0.0000   0.0000   23.350   10.651  ?   ?       ?      ? 
1 1 1  -50    5    7 o   89.560   8.6139   60.414   10.454   60.414   10.454   0.0000   0.0000   89.560   8.6139  ?   ?       ?      ? 
1 1 1  -50    5    8 o   68.579   14.246   41.986   12.806   41.986   12.806   0.0000   0.0000   68.579   14.246  ?   ?       ?      ? 
1 1 1  -50    5    9 o  129.161   10.656  131.626   18.651  131.626   18.651   0.0000   0.0000  129.161   10.656  ?   ?       ?      ? 
1 1 1  -50    5   10 o   57.691   15.425   31.267   12.293   31.267   12.293   0.0000   0.0000   57.691   15.425  ?   ?       ?      ? 
1 1 1  -50    5   11 f  101.680   11.549   83.141   15.913   83.141   15.913   0.0000   0.0000  101.680   11.549  ?   ?       ?      ? 
1 1 1  -50    5   12 o   56.132   15.329   29.346   11.989   29.346   11.989   0.0000   0.0000   56.132   15.329  ?   ?       ?      ? 
1 1 1  -50    5   13 o   56.604   15.776   30.240   12.554   30.240   12.554   0.0000   0.0000   56.604   15.776  ?   ?       ?      ? 
1 1 1  -50    5   14 o   64.048   10.286   31.748   8.9278   31.748   8.9278   0.0000   0.0000   64.048   10.286  ?   ?       ?      ? 
1 1 1  -50    5   15 o   49.234   12.587   20.539   8.4307   20.539   8.4307   0.0000   0.0000   49.234   12.587  ?   ?       ?      ? 
1 1 1  -50    5   16 o   39.928   12.857   13.511   7.9059   13.511   7.9059   0.0000   0.0000   39.928   12.857  ?   ?       ?      ? 
1 1 1  -50    5   17 o   38.660   13.064   12.556   8.1302   12.556   8.1302   0.0000   0.0000   38.660   13.064  ?   ?       ?      ? 
1 1 1  -50    5   18 o   83.290   8.8284   51.741   9.9645   51.741   9.9645   0.0000   0.0000   83.290   8.8284  ?   ?       ?      ? 
1 1 1  -50    5   19 o   68.443   9.7332   35.601   9.0275   35.601   9.0275   0.0000   0.0000   68.443   9.7332  ?   ?       ?      ? 
1 1 1  -50    5   20 o   44.993   13.046   17.317   8.4175   17.317   8.4175   0.0000   0.0000   44.993   13.046  ?   ?       ?      ? 
1 1 1  -50    5   21 o   21.294   9.9178  -4.3243   6.9757  -4.3243   6.9757   0.0000   0.0000   21.294   9.9178  ?   ?       ?      ? 
1 1 1  -50    5   22 o  100.117   8.1192   73.580   11.015   73.580   11.015   0.0000   0.0000  100.117   8.1192  ?   ?       ?      ? 
1 1 1  -50    5   23 o   84.153   9.0421   52.935   10.311   52.935   10.311   0.0000   0.0000   84.153   9.0421  ?   ?       ?      ? 
1 1 1  -50    5   24 o  126.428   7.5481  116.077   12.932  116.077   12.932   0.0000   0.0000  126.428   7.5481  ?   ?       ?      ? 
1 1 1  -50    5   25 o   65.910   10.401   33.444   9.2896   33.444   9.2896   0.0000   0.0000   65.910   10.401  ?   ?       ?      ? 
1 1 1  -50    5   26 f  118.133   7.9111  102.013   12.664  102.013   12.664   0.0000   0.0000  118.133   7.9111  ?   ?       ?      ? 
1 1 1  -50    5   27 o   70.618   10.369   38.374   9.9225   38.374   9.9225   0.0000   0.0000   70.618   10.369  ?   ?       ?      ? 
1 1 1  -50    5   28 o   97.272   8.6620   70.198   11.418   70.198   11.418   0.0000   0.0000   97.272   8.6620  ?   ?       ?      ? 
1 1 1  -50    5   29 o   46.421   13.452   18.641   8.9520   18.641   8.9520   0.0000   0.0000   46.421   13.452  ?   ?       ?      ? 
1 1 1  -50    5   30 f   63.648   11.666   32.742   9.6916   32.742   9.6916   0.0000   0.0000   63.648   11.666  ?   ?       ?      ? 
1 1 1  -50    5   31 o   52.699   13.085   23.662   9.3014   23.662   9.3014   0.0000   0.0000   52.699   13.085  ?   ?       ?      ? 
1 1 1  -50    5   32 o   82.111   9.4401   50.947   10.504   50.947   10.504   0.0000   0.0000   82.111   9.4401  ?   ?       ?      ? 
1 1 1  -50    5   33 o   43.750   15.885   17.666   12.161   17.666   12.161   0.0000   0.0000   43.750   15.885  ?   ?       ?      ? 
1 1 1  -50    5   34 o   36.380   12.332   10.820   7.2451   10.820   7.2451   0.0000   0.0000   36.380   12.332  ?   ?       ?      ? 
1 1 1  -50    5   35 o   57.786   10.894   26.686   8.2178   26.686   8.2178   0.0000   0.0000   57.786   10.894  ?   ?       ?      ? 
1 1 1  -50    5   36 o   68.658   8.4710   35.976   7.2282   31.570   8.6723   46.000   13.082   64.098   9.9840   73.217   13.688 -9.119026 16.94204 
1 1 1  -50    5   37 o   57.412   9.3939   30.823   7.2020   35.747   8.7737   20.652   12.610   68.593   9.4390   46.231   16.245 22.36173 18.78774 
1 1 1  -50    5   38 o   43.035   10.099   16.067   6.5418   14.909   7.8857   18.623   11.716   41.646   12.764   44.424   15.654 -2.777943 20.19819 
1 1 1  -50    5   39 o  102.068   6.9183   78.054   8.9936   74.191   10.919   86.205   15.859  100.198   8.0417  103.938   11.260 -3.739723 13.83665 
1 1 1  -50    5   40 o   39.907   10.145   13.106   6.5159   11.152   7.7486   17.825   12.041   36.518   12.739   43.297   15.792 -6.778442 20.29019 
1 1 1  -50    5   41 o  137.885   6.3679  139.661   11.192  131.418   13.561  157.276   19.823  133.956   7.4704  141.814   10.315 -7.857376 12.73589 
1 1 1  -50    5   42 o   57.021   9.8769   27.269   7.1533   23.544   8.6071   35.587   12.862   52.605   12.295   61.437   15.461 -8.831570 19.75384 
1 1 1  -50    5   43 o   91.799   8.6784   69.960   10.769   68.773   14.699   71.334   15.822   91.535   11.850   92.064   12.682 -0.5287781 17.35689 
1 1 1  -50    5   44 o   51.413   16.612   27.195   13.189   0.0000   0.0000   27.195   13.189  ?   ?    51.413   16.612      ?      ? 
1 1 1  -50    5   45 o   53.944   16.757   30.194   13.539   0.0000   0.0000   30.194   13.539  ?   ?    53.944   16.757      ?      ? 
1 1 1  -50    5   46 f   37.974   10.703   12.641   8.1819   10.585   10.679   15.562   12.731   35.762   14.383   40.186   15.854 -4.424301 21.40673 
1 1 1  -50    5   47 o   40.703   10.872   16.240   8.2862   18.036   10.983   13.867   12.625   42.796   15.148   38.609   15.600 4.187340 21.74441 
1 1 1  -50    5   48 o   71.184   10.864   48.942   10.178   53.390   14.041   44.018   14.774   76.664   14.032   65.704   16.590 10.96014 21.72820 
1 1 1  -50    6    6 f   40.645   12.975   14.962   8.0645   14.962   8.0645   0.0000   0.0000   40.645   12.975  ?   ?       ?      ? 
1 1 1  -50    6    7 o   45.481   12.589   18.343   8.0228   18.343   8.0228   0.0000   0.0000   45.481   12.589  ?   ?       ?      ? 
1 1 1  -50    6    8 o   45.933   12.618   18.641   8.0954   18.641   8.0954   0.0000   0.0000   45.933   12.618  ?   ?       ?      ? 
1 1 1  -50    6    9 o   31.595   12.247   7.4726   7.4869   7.4726   7.4869   0.0000   0.0000   31.595   12.247  ?   ?       ?      ? 
1 1 1  -50    6   10 o   66.391   9.8635   34.389   8.8741   34.389   8.8741   0.0000   0.0000   66.391   9.8635  ?   ?       ?      ? 
1 1 1  -50    6   11 o   43.424   12.933   16.695   8.1785   16.695   8.1785   0.0000   0.0000   43.424   12.933  ?   ?       ?      ? 
1 1 1  -50    6   12 o   74.693   9.3316   42.767   9.4453   42.767   9.4453   0.0000   0.0000   74.693   9.3316  ?   ?       ?      ? 
1 1 1  -50    6   13 o   68.051   9.7551   35.819   8.9960   35.819   8.9960   0.0000   0.0000   68.051   9.7551  ?   ?       ?      ? 
1 1 1  -50    6   14 o   55.146   11.853   25.405   8.5946   25.405   8.5946   0.0000   0.0000   55.146   11.853  ?   ?       ?      ? 
1 1 1  -50    6   15 o  107.409   7.8119   85.091   11.370   85.091   11.370   0.0000   0.0000  107.409   7.8119  ?   ?       ?      ? 
1 1 1  -50    6   16 o   31.950   12.414   7.3700   7.7073   7.3700   7.7073   0.0000   0.0000   31.950   12.414  ?   ?       ?      ? 
1 1 1  -50    6   17 o   65.810   10.178   33.670   9.0772   33.670   9.0772   0.0000   0.0000   65.810   10.178  ?   ?       ?      ? 
1 1 1  -50    6   18 o   65.250   10.228   33.105   9.0437   33.105   9.0437   0.0000   0.0000   65.250   10.228  ?   ?       ?      ? 
1 1 1  -50    6   19 f  115.856   7.7059   98.512   12.098   98.512   12.098   0.0000   0.0000  115.856   7.7059  ?   ?       ?      ? 
1 1 1  -50    6   20 o   67.070   10.072   34.785   9.1542   34.785   9.1542   0.0000   0.0000   67.070   10.072  ?   ?       ?      ? 
1 1 1  -50    6   21 o   39.923   12.996   13.709   8.0629   13.709   8.0629   0.0000   0.0000   39.923   12.996  ?   ?       ?      ? 
1 1 1  -50    6   22 o   46.583   12.656   18.601   8.1967   18.601   8.1967   0.0000   0.0000   46.583   12.656  ?   ?       ?      ? 
1 1 1  -50    6   23 o   64.962   10.430   32.874   9.1814   32.874   9.1814   0.0000   0.0000   64.962   10.430  ?   ?       ?      ? 
1 1 1  -50    6   24 o   45.181   12.890   17.631   8.2792   17.631   8.2792   0.0000   0.0000   45.181   12.890  ?   ?       ?      ? 
1 1 1  -50    6   25 o   34.871   12.828   9.6795   7.9684   9.6795   7.9684   0.0000   0.0000   34.871   12.828  ?   ?       ?      ? 
1 1 1  -50    6   26 o   48.718   16.107   23.004   12.368   23.004   12.368   0.0000   0.0000   48.718   16.107  ?   ?       ?      ? 
1 1 1  -50    6   27 o   82.489   13.126   57.037   14.673   57.037   14.673   0.0000   0.0000   82.489   13.126  ?   ?       ?      ? 
1 1 1  -50    6   28 o   30.534   13.559   2.1340   11.215   2.1340   11.215   0.0000   0.0000   30.534   13.559  ?   ?       ?      ? 
1 1 1  -50    6   29 o   42.124   15.804   16.420   12.209   16.420   12.209   0.0000   0.0000   42.124   15.804  ?   ?       ?      ? 
1 1 1  -50    6   30 o   62.674   16.216   37.509   13.878   37.509   13.878   0.0000   0.0000   62.674   16.216  ?   ?       ?      ? 
1 1 1  -50    6   31 o   90.712   12.813   68.580   15.751   68.580   15.751   0.0000   0.0000   90.712   12.813  ?   ?       ?      ? 
1 1 1  -50    6   32 o   46.391   16.242   21.095   12.601   21.095   12.601   0.0000   0.0000   46.391   16.242  ?   ?       ?      ? 
1 1 1  -50    6   33 o   57.002   16.334   31.750   13.266   31.750   13.266   0.0000   0.0000   57.002   16.334  ?   ?       ?      ? 
1 1 1  -50    6   34 o   38.114   15.131   12.249   11.662   12.249   11.662   0.0000   0.0000   38.114   15.131  ?   ?       ?      ? 
1 1 1  -50    6   35 o  116.077   11.612  109.167   18.265  109.167   18.265   0.0000   0.0000  116.077   11.612  ?   ?       ?      ? 
1 1 1  -50    6   36 o   26.082   12.265  -5.4635   11.103  -5.4635   11.103   0.0000   0.0000   26.082   12.265  ?   ?       ?      ? 
1 1 1  -50    6   37 o   55.181   16.376   30.348   13.130   30.348   13.130   0.0000   0.0000   55.181   16.376  ?   ?       ?      ? 
1 1 1  -50    6   40 o   59.971   10.750   34.804   8.9079   40.353   12.148   28.351   13.101   67.356   13.774   52.587   16.508 14.76903 21.49991 
1 1 1  -50    6   41 o   31.259   9.5941   4.7381   7.5758   6.4231   10.203   2.6673   11.310   32.169   13.598   30.349   13.538 1.819944 19.18818 
1 1 1  -50    6   42 o   38.407   10.596   12.972   7.9977   9.1390   10.704   17.816   12.033   34.511   14.205   42.304   15.726 -7.793331 21.19144 
1 1 1  -50    6   43 o   37.208   10.383   12.175   7.9843   16.063   10.679   7.2468   12.022   40.854   14.877   33.562   14.487 7.291821 20.76556 
1 1 1  -50    6   44 o   60.907   11.048   36.553   9.1422   36.620   12.306   36.471   13.658   62.129   14.823   59.684   16.387 2.444584 22.09635 
1 1 1  -50    7   11 o   44.825   12.881   18.182   8.2395   18.182   8.2395   0.0000   0.0000   44.825   12.881  ?   ?       ?      ? 
1 1 1  -50    7   12 o   67.060   10.137   35.729   9.2122   35.729   9.2122   0.0000   0.0000   67.060   10.137  ?   ?       ?      ? 
1 1 1  -50    7   13 o   34.390   12.684   9.9505   7.7987   9.9505   7.7987   0.0000   0.0000   34.390   12.684  ?   ?       ?      ? 
1 1 1  -50    7   14 o   21.063   9.8782  -4.4331   7.1201  -4.4331   7.1201   0.0000   0.0000   21.063   9.8782  ?   ?       ?      ? 
1 1 1  -50    7   15 o  100.644   12.068   84.769   16.459   84.769   16.459   0.0000   0.0000  100.644   12.068  ?   ?       ?      ? 
1 1 1  -50    7   16 o   52.519   16.397   28.368   12.944   28.368   12.944   0.0000   0.0000   52.519   16.397  ?   ?       ?      ? 
1 1 1  -50    7   17 o   85.326   13.128   62.778   15.179   62.778   15.179   0.0000   0.0000   85.326   13.128  ?   ?       ?      ? 
1 1 1  -50    7   18 o   75.756   14.742   52.548   14.590   52.548   14.590   0.0000   0.0000   75.756   14.742  ?   ?       ?      ? 
1 1 1  -50    7   19 o   24.269   11.515  -6.7528   10.201  -6.7528   10.201   0.0000   0.0000   24.269   11.515  ?   ?       ?      ? 
1 1 1  -50    7   20 o   67.013   15.735   42.921   14.045   42.921   14.045   0.0000   0.0000   67.013   15.735  ?   ?       ?      ? 
1 1 1  -50    7   21 o   46.619   16.032   21.852   12.250   21.852   12.250   0.0000   0.0000   46.619   16.032  ?   ?       ?      ? 
1 1 1  -50    7   22 f   35.962   14.798   10.154   11.613   10.154   11.613   0.0000   0.0000   35.962   14.798  ?   ?       ?      ? 
1 1 1  -50    7   23 o   66.535   15.931   42.541   14.174   42.541   14.174   0.0000   0.0000   66.535   15.931  ?   ?       ?      ? 
1 1 1  -50    7   24 o   38.491   15.270   13.111   11.871   13.111   11.871   0.0000   0.0000   38.491   15.270  ?   ?       ?      ? 
1 1 1  -50    7   25 o   84.148   12.868   60.097   14.673   60.097   14.673   0.0000   0.0000   84.148   12.868  ?   ?       ?      ? 
1 1 1  -50    7   26 o   51.423   16.427   26.886   12.925   26.886   12.925   0.0000   0.0000   51.423   16.427  ?   ?       ?      ? 
1 1 1  -50    7   27 o   59.719   16.234   35.202   13.482   35.202   13.482   0.0000   0.0000   59.719   16.234  ?   ?       ?      ? 
1 1 1  -50    7   28 o   36.604   14.886   10.964   11.578   10.964   11.578   0.0000   0.0000   36.604   14.886  ?   ?       ?      ? 
1 1 1  -50    7   29 o   37.738   15.160   12.293   11.848   12.293   11.848   0.0000   0.0000   37.738   15.160  ?   ?       ?      ? 
1 1 1  -50    7   30 o   84.619   13.083   61.367   15.002   61.367   15.002   0.0000   0.0000   84.619   13.083  ?   ?       ?      ? 
1 1 1  -50    7   31 o   26.531   12.282  -2.7208   10.452  -2.7208   10.452   0.0000   0.0000   26.531   12.282  ?   ?       ?      ? 
1 1 1  -49    0    5 o   86.140   13.498   57.995   14.602   0.0000   0.0000   57.995   14.602   86.140   13.498   86.140   13.498 -0.000000 0.000000 
1 1 1  -49    0    6 f  108.841   11.637   88.301   16.669   0.0000   0.0000   88.301   16.669  108.841   11.637  108.841   11.637 -0.000000 0.000000 
1 1 1  -49    0    7 o   33.972   18.269   13.640   11.621   0.0000   0.0000   13.640   11.621   33.972   18.269   33.972   18.269 -0.000000 0.000000 
1 1 1  -49    0    8 o   26.310   14.540   7.4898   7.5698   0.0000   0.0000   7.4898   7.5698   26.310   14.540   26.310   14.540 -0.000000 0.000000 
1 1 1  -49    0    9 o   39.261   15.065   15.255   7.5772   0.0000   0.0000   15.255   7.5772   39.261   15.065   39.261   15.065 -0.000000 0.000000 
1 1 1  -49    0   10 o   98.991   7.6819   69.444   10.162   0.0000   0.0000   69.444   10.162   98.991   7.6819   98.991   7.6819 -0.000000 0.000000 
1 1 1  -49    0   11 o   80.430   8.7787   46.904   9.2787   0.0000   0.0000   46.904   9.2787   80.430   8.7787   80.430   8.7787 -0.000000 0.000000 
1 1 1  -49    0   12 o  121.735   7.1970  103.893   11.778   0.0000   0.0000  103.893   11.778  121.735   7.1970  121.735   7.1970 -0.000000 0.000000 
1 1 1  -49    0   13 o  151.103   7.0108  159.239   14.285   0.0000   0.0000  159.239   14.285  151.103   7.0108  151.103   7.0108 -0.000000 0.000000 
1 1 1  -49    0   14 f  100.245   7.8620   71.243   10.529   0.0000   0.0000   71.243   10.529  100.245   7.8620  100.245   7.8620 -0.000000 0.000000 
1 1 1  -49    0   15 o  103.637   7.8963   76.074   10.942   0.0000   0.0000   76.074   10.942  103.637   7.8963  103.637   7.8963 -0.000000 0.000000 
1 1 1  -49    0   16 o  151.583   7.1715  160.360   14.656   0.0000   0.0000  160.360   14.656  151.583   7.1715  151.583   7.1715 -0.000000 0.000000 
1 1 1  -49    0   17 o  230.666   7.2244  370.092   22.532   0.0000   0.0000  370.092   22.532  230.666   7.2244  230.666   7.2244 -0.000000 0.000000 
1 1 1  -49    0   18 o  166.020   10.315  197.735   23.002   0.0000   0.0000  197.735   23.002  166.020   10.315  166.020   10.315 -0.000000 0.000000 
1 1 1  -49    0   19 o   31.896   17.910   11.449   11.701   0.0000   0.0000   11.449   11.701   31.896   17.910   31.896   17.910 -0.000000 0.000000 
1 1 1  -49    0   20 o   91.847   8.8479   60.654   10.778   0.0000   0.0000   60.654   10.778   91.847   8.8479   91.847   8.8479 -0.000000 0.000000 
1 1 1  -49    0   21 o   79.202   9.8683   46.142   10.148   0.0000   0.0000   46.142   10.148   79.202   9.8683   79.202   9.8683 -0.000000 0.000000 
1 1 1  -49    0   22 o   48.313   15.096   21.060   8.6689   0.0000   0.0000   21.060   8.6689   48.313   15.096   48.313   15.096 -0.000000 0.000000 
1 1 1  -49    0   23 o   70.673   10.798   37.651   9.6250   0.0000   0.0000   37.651   9.6250   70.673   10.798   70.673   10.798 -0.000000 0.000000 
1 1 1  -49    0   24 o   37.449   16.244   14.774   8.5180   0.0000   0.0000   14.774   8.5180   37.449   16.244   37.449   16.244 -0.000000 0.000000 
1 1 1  -49    0   25 o   52.783   14.714   24.129   9.1052   0.0000   0.0000   24.129   9.1052   52.783   14.714   52.783   14.714 -0.000000 0.000000 
1 1 1  -49    0   26 o   68.020   11.465   35.431   9.6660   0.0000   0.0000   35.431   9.6660   68.020   11.465   68.020   11.465 -0.000000 0.000000 
1 1 1  -49    0   27 o   37.023   16.524   14.682   8.8047   0.0000   0.0000   14.682   8.8047   37.023   16.524   37.023   16.524 -0.000000 0.000000 
1 1 1  -49    0   28 o   91.330   8.8303   59.972   10.694   0.0000   0.0000   59.972   10.694   91.330   8.8303   91.330   8.8303 -0.000000 0.000000 
1 1 1  -49    0   29 o   90.645   8.9062   59.160   10.698   0.0000   0.0000   59.160   10.698   90.645   8.9062   90.645   8.9062 -0.000000 0.000000 
1 1 1  -49    0   30 o   61.536   12.777   30.203   9.3983   0.0000   0.0000   30.203   9.3983   61.536   12.777   61.536   12.777 -0.000000 0.000000 
1 1 1  -49    0   31 o  142.022   7.5264  141.270   14.392   0.0000   0.0000  141.270   14.392  142.022   7.5264  142.022   7.5264 -0.000000 0.000000 
1 1 1  -49    0   32 o  230.524   7.0481  377.482   21.883  366.713   29.890  389.923   32.125  227.210   9.7486  233.839   10.182 -0.000000 0.000000 
1 1 1  -49    0   33 o  147.936   7.0893  155.944   14.007  145.211   18.820  169.274   20.973  142.328   9.8665  153.544   10.183 -0.000000 0.000000 
1 1 1  -49    0   34 o  102.901   12.359   79.477   16.576   0.0000   0.0000   79.477   16.576  102.901   12.359  102.901   12.359 -0.000000 0.000000 
1 1 1  -49    0   35 f   86.561   14.146   58.669   15.263   0.0000   0.0000   58.669   15.263   86.561   14.146   86.561   14.146 -0.000000 0.000000 
1 1 1  -49    0   36 o  155.789   7.1285  175.349   14.774  193.544   20.525  155.782   21.284  165.016   9.2448  146.561   10.853 -0.000000 0.000000 
1 1 1  -49    0   37 o  124.723   7.3747  111.650   12.192   99.107   16.309  127.539   18.356  116.661   10.513  132.786   10.345 -0.000000 0.000000 
1 1 1  -49    0   38 o   83.447   9.3621   53.647   9.7229   51.055   12.912   57.042   14.776   81.487   12.587   85.407   13.862 -0.000000 0.000000 
1 1 1  -49    0   39 o   97.274   8.1738   70.529   10.306   69.565   13.829   71.734   15.455   97.006   10.870   97.543   12.210 -0.000000 0.000000 
1 1 1  -49    0   40 o   31.286   11.498   6.8722   7.1840  -1.4507   9.0843   20.767   11.738   19.279   12.845   43.293   19.074 -0.000000 0.000000 
1 1 1  -49    0   41 o   27.661   11.503   7.3853   7.1488   5.3212   9.1376   10.642   11.478   24.559   14.873   30.762   17.551 -0.000000 0.000000 
1 1 1  -49    0   42 o   51.590   17.086   25.226   10.622   25.226   10.622   0.0000   0.0000   51.590   17.086   51.590   17.086 -0.000000 0.000000 
1 1 1  -49    0   43 o   89.510   11.660   60.469   13.480   60.469   13.480   0.0000   0.0000   89.510   11.660   89.510   11.660 -0.000000 0.000000 
1 1 1  -49    0   44 o   92.420   8.9171   65.476   10.481   66.557   14.161   64.167   15.586   94.080   11.578   90.760   13.565 -0.000000 0.000000 
1 1 1  -49    0   45 o   45.800   10.634   20.697   8.2384   36.896   11.413   3.0726   11.904   67.060   14.291   24.540   15.750 -0.000000 0.000000 
1 1 1  -49    0   46 o   39.346   12.642   17.675   7.9337   22.757   10.749   11.594   11.759   47.165   17.903   31.527   17.853 -0.000000 0.000000 
1 1 1  -49    0   47 o   82.151   9.8217   53.779   9.8908   55.963   13.490   51.241   14.545   85.143   12.476   79.158   15.173 -0.000000 0.000000 
1 1 1  -49    0   48 o   41.097   12.540   16.444   8.3415   6.4907   10.790   31.226   13.150   26.304   16.041   55.890   19.280 -0.000000 0.000000 
1 1 1  -49    0   49 o  228.958   7.2799  379.367   22.474  379.421   31.351  379.310   32.233  229.193   10.139  228.722   10.449 -0.000000 0.000000 
1 1 1  -49    0   50 o   93.017   10.318   70.591   11.159   87.666   15.486   52.144   16.096  108.642   10.761   77.392   17.608 -0.000000 0.000000 
1 1 1  -49    0   51 o   84.889   10.147   58.656   10.333   65.645   14.123   50.604   15.160   92.768   11.747   77.009   16.550 -0.000000 0.000000 
1 1 1  -49    0   52 o  131.297   7.6106  127.259   13.314  119.649   18.353  135.713   19.344  127.012   10.845  135.583   10.681 -0.000000 0.000000 
1 1 1  -49    0   53 o   44.449   19.636   23.034   12.438   0.0000   0.0000   23.034   12.438   44.449   19.636   44.449   19.636 -0.000000 0.000000 
1 1 1  -49    0   54 f   31.725   18.028   12.471   12.046   0.0000   0.0000   12.471   12.046   31.725   18.028   31.725   18.028 -0.000000 0.000000 
1 1 1  -49    0   55 o   74.729   17.140   49.245   15.116   0.0000   0.0000   49.245   15.116   74.729   17.140   74.729   17.140 -0.000000 0.000000 
1 1 1  -49    0   56 o   52.337   20.397   30.549   13.803   0.0000   0.0000   30.549   13.803   52.337   20.397   52.337   20.397 -0.000000 0.000000 
1 1 1  -49    0   57 o   14.375   10.427 -19.6287   11.106   0.0000   0.0000 -19.6287   11.106   14.375   10.427   14.375   10.427 -0.000000 0.000000 
1 1 1  -49    0   58 o   67.031   18.756   43.067   14.743   0.0000   0.0000   43.067   14.743   67.031   18.756   67.031   18.756 -0.000000 0.000000 
1 1 1  -49    1    1 o   95.433   7.7537   66.012   10.027   66.012   10.027   0.0000   0.0000   95.433   7.7537  ?   ?       ?      ? 
1 1 1  -49    1    2 f  122.789   7.1432  108.062   11.886  108.062   11.886   0.0000   0.0000  122.789   7.1432  ?   ?       ?      ? 
1 1 1  -49    1    3 o   62.178   9.9602   29.074   8.3924   29.074   8.3924   0.0000   0.0000   62.178   9.9602  ?   ?       ?      ? 
1 1 1  -49    1    4 o   62.806   9.9333   29.588   8.4543   29.588   8.4543   0.0000   0.0000   62.806   9.9333  ?   ?       ?      ? 
1 1 1  -49    1    5 o  119.745   7.2144  102.534   11.707  102.534   11.707   0.0000   0.0000  119.745   7.2144  ?   ?       ?      ? 
1 1 1  -49    1    6 o  100.424   7.7085   72.573   10.490   72.573   10.490   0.0000   0.0000  100.424   7.7085  ?   ?       ?      ? 
1 1 1  -49    1    7 o   94.118   8.0768   64.039   10.301   64.039   10.301   0.0000   0.0000   94.118   8.0768  ?   ?       ?      ? 
1 1 1  -49    1    8 f   86.179   8.4968   53.990   9.9229   53.990   9.9229   0.0000   0.0000   86.179   8.4968  ?   ?       ?      ? 
1 1 1  -49    1    9 f  101.155   5.4897   73.511   7.5222   72.052   10.708   74.932   10.570  100.065   7.8964  102.245   7.6286 -2.179604 10.97943 
1 1 1  -49    1   10 o   44.625   8.9940   17.257   6.2169   7.8440   10.405   22.482   7.7528   35.485   14.224   53.764   11.011 -18.27955 17.98805 
1 1 1  -49    1   11 o  119.910   6.2446  103.671   9.6393  108.400   16.507  101.223   11.874  120.674   10.094  119.147   7.3542 1.526802 12.48911 
1 1 1  -49    1   12 o  122.908   7.5511  113.882   12.514  123.603   17.510  103.732   17.891  129.016   10.015  116.799   11.304 12.21682 15.10228 
1 1 1  -49    1   13 o  121.299   7.5604  110.784   12.361  121.857   17.401   99.504   17.563  128.159   10.019  114.439   11.325 13.71914 15.12078 
1 1 1  -49    1   14 o   75.480   8.8520   45.976   7.9934   48.588   9.7224   40.527   14.042   81.784   8.7725   69.176   15.378 12.60777 17.70409 
1 1 1  -49    1   15 o  122.643   5.3052  107.016   8.8022   98.806   12.174  116.010   12.742  117.613   7.6383  127.673   7.3645 -10.06013 10.61035 
1 1 1  -49    1   16 o   86.084   6.0942   53.769   7.0894   50.869   10.197   56.482   9.8633   83.581   9.0028   88.587   8.2162 -5.006279 12.18836 
1 1 1  -49    1   17 f  124.557   5.2408  110.426   8.8422  109.562   12.658  111.250   12.357  123.982   7.5337  125.132   7.2875 -1.149872 10.48162 
1 1 1  -49    1   18 o  101.696   5.6390   74.048   7.7656   76.231   11.246   72.059   10.736  103.073   8.0517  100.319   7.8971 2.754013 11.27800 
1 1 1  -49    1   19 o  108.878   5.5306   84.995   8.1126   74.751   11.445   95.341   11.501  101.915   8.2869  115.841   7.3265 -13.92601 11.06118 
1 1 1  -49    1   20 o  149.759   5.1304  159.145   10.411  162.423   14.825  155.956   14.623  151.304   7.2305  148.215   7.2803 3.088760 10.26073 
1 1 1  -49    1   21 o  115.107   5.4926   94.643   8.5641   91.272   12.067   98.064   12.157  112.953   7.8832  117.261   7.6505 -4.307747 10.98522 
1 1 1  -49    1   22 f  102.927   5.8688   76.133   8.1804   80.009   11.764   72.505   11.383  105.513   8.2278  100.342   8.3711 5.170944 11.73762 
1 1 1  -49    1   23 o  186.390   6.4752  254.505   15.261  257.674   18.655  248.093   26.537  190.614   7.2220  182.166   10.750 8.448456 12.95039 
1 1 1  -49    1   24 o  114.237   7.1573   96.982   10.299   98.031   12.554   94.821   18.010  117.051   7.9145  111.424   11.928 5.627136 14.31452 
1 1 1  -49    1   25 o  103.338   5.9418   76.918   8.3204   76.316   11.697   77.534   11.838  102.942   8.3850  103.734   8.4210 -0.7920303 11.88369 
1 1 1  -49    1   26 o  184.977   5.0941  242.578   12.763  232.828   17.940  252.572   18.162  181.092   7.3102  188.862   7.0965 -7.770660 10.18824 
1 1 1  -49    1   27 o  115.531   5.6820   95.551   8.8649  106.454   12.773   85.419   12.313  122.127   7.7180  108.935   8.3411 13.19203 11.36407 
1 1 1  -49    1   28 o  105.834   5.9309   80.686   8.5058   81.270   12.080   80.111   11.979  106.210   8.3927  105.457   8.3824 0.7528458 11.86182 
1 1 1  -49    1   29 f  148.294   5.3151  156.418   10.672  165.684   15.349  147.747   14.848  152.631   7.4210  143.956   7.6110 8.675049 10.63011 
1 1 1  -49    1   30 o  110.617   6.8159   92.450   9.3370   97.364   11.372   82.288   16.355  117.184   7.1615  104.049   11.599 13.13551 13.63176 
1 1 1  -49    1   31 f   83.670   8.5175   56.880   8.2199   61.668   9.9049   46.287   14.732   92.818   7.8747   74.522   15.106 18.29629 17.03495 
1 1 1  -49    1   32 o  118.180   6.5414  101.334   9.7231  100.150   11.755  103.896   17.302  118.710   7.3072  117.650   10.852 1.059814 13.08288 
1 1 1  -49    1   33 o   92.750   6.9413   62.886   7.5118   62.362   8.6775   64.453   15.005   93.946   6.8161   91.554   12.094 2.391991 13.88269 
1 1 1  -49    1   34 o  126.273   5.0225  113.086   8.5929  110.276   12.084  115.961   12.221  124.645   7.1542  127.901   7.0513 -3.255531 10.04502 
1 1 1  -49    1   35 o   89.553   5.6386   57.555   6.8274   62.669   9.7758   52.685   9.5392   93.602   7.7070   85.505   8.2326 8.096634 11.27715 
1 1 1  -49    1   36 o  116.935   5.1336   97.191   8.1243  104.106   11.654   90.653   11.332  121.098   7.1013  112.771   7.4153 8.327011 10.26717 
1 1 1  -49    1   37 o  125.931   6.4163  115.657   10.176  116.426   17.976  115.294   12.344  124.496   10.655  127.366   7.1517 -2.869720 12.83266 
1 1 1  -49    1   38 o  112.999   6.6755   91.207   9.3946  101.337   17.335   86.995   11.178  115.634   11.063  110.365   7.4743 5.269737 13.35099 
1 1 1  -49    1   39 o   46.254   8.7290   18.623   6.1413   7.9141   10.016   25.075   7.7742   35.278   14.017   57.230   10.407 -21.95234 17.45806 
1 1 1  -49    1   40 o  108.312   6.4074   86.570   8.9255   83.713   14.981   88.142   11.113  105.541   10.475  111.083   7.3826 -5.541870 12.81477 
1 1 1  -49    1   41 o   89.564   5.7577   58.032   6.9488   50.721   9.7156   65.689   9.9424   83.466   8.5897   95.661   7.6696 -12.19540 11.51543 
1 1 1  -49    1   42 o  101.989   5.5060   74.878   7.6066   72.392   10.741   77.380   10.774  100.194   7.9111  103.785   7.6603 -3.590279 11.01200 
1 1 1  -49    1   43 o  106.110   5.4730   81.054   7.8688   81.764   11.236   80.372   11.023  106.531   7.7832  105.690   7.6965 0.8407745 10.94596 
1 1 1  -49    1   44 o  108.085   5.5492   84.319   8.1025   76.097   11.316   92.969   11.607  102.414   8.1538  113.755   7.5293 -11.34084 11.09840 
1 1 1  -49    1   45 o   67.865   8.7164   37.603   7.5034   40.873   9.6321   32.555   11.967   74.053   9.5983   61.677   14.553 12.37629 17.43283 
1 1 1  -49    1   46 o   69.861   7.5693   37.369   6.6777   52.895   9.9182   24.496   9.0314   84.928   8.6178   54.795   12.446 30.13340 15.13851 
1 1 1  -49    1   47 o  120.067   5.3623  104.057   8.7198  103.681   12.526  104.410   12.146  119.723   7.7204  120.411   7.4439 -0.6880646 10.72455 
1 1 1  -49    1   48 o   93.024   5.9077   63.344   7.4442   64.737   10.716   62.045   10.349   93.961   8.4157   92.087   8.2933 1.873428 11.81540 
1 1 1  -49    1   49 o  118.470   5.3837  101.583   8.6263  110.135   12.370   93.487   12.036  123.544   7.3887  113.397   7.8323 10.14680 10.76738 
1 1 1  -49    1   50 o   73.613   6.7670   40.744   6.7286   45.201   9.7176   36.639   9.3257   77.736   9.2248   69.490   9.9032 8.245148 13.53401 
1 1 1  -49    1   51 o   31.828   9.4795   4.8408   6.4532   3.8419   7.6817   7.2363   11.896   28.708   11.944   34.949   14.724 -6.240627 18.95904 
1 1 1  -49    1   52 o   72.116   8.8670   41.408   8.0171   38.646   9.8156   46.942   13.895   70.890   10.218   73.342   14.495 -2.452568 17.73396 
1 1 1  -49    1   53 o   79.378   8.8869   52.697   8.3515   54.548   10.084   48.656   14.902   85.514   8.7017   73.243   15.498 12.27071 17.77371 
1 1 1  -49    1   54 o   72.535   9.1653   43.607   8.1314   42.779   9.8477   45.381   14.415   74.747   9.7221   70.324   15.540 4.423218 18.33063 
1 1 1  -49    1   55 o  100.087   8.9566   83.433   12.101   90.137   17.086   76.687   17.140  105.081   11.999   95.093   13.301 9.987885 17.91315 
1 1 1  -49    1   56 f  105.217   8.8872   92.441   12.624  100.848   17.967   84.244   17.741  110.886   11.957   99.548   13.151 11.33822 17.77434 
1 1 1  -49    1   57 o   41.376   16.234   16.538   13.278   0.0000   0.0000   16.538   13.278  ?   ?    41.376   16.234      ?      ? 
1 1 1  -49    1   58 o   76.598   14.993   54.305   15.006   0.0000   0.0000   54.305   15.006  ?   ?    76.598   14.993      ?      ? 
1 1 1  -49    1   59 o   80.064   14.925   59.633   15.598   0.0000   0.0000   59.633   15.598  ?   ?    80.064   14.925      ?      ? 
1 1 1  -49    2    1 o  164.270   9.7332  203.384   21.667  203.384   21.667   0.0000   0.0000  164.270   9.7332  ?   ?       ?      ? 
1 1 1  -49    2    2 o  158.139   7.1046  179.351   15.225  179.351   15.225   0.0000   0.0000  158.139   7.1046  ?   ?       ?      ? 
1 1 1  -49    2    3 o  114.681   7.4801   94.759   11.625   94.759   11.625   0.0000   0.0000  114.681   7.4801  ?   ?       ?      ? 
1 1 1  -49    2    4 f   84.553   8.4796   52.301   9.7160   52.301   9.7160   0.0000   0.0000   84.553   8.4796  ?   ?       ?      ? 
1 1 1  -49    2    5 o   29.224   11.868   4.3739   7.3468   4.3739   7.3468   0.0000   0.0000   29.224   11.868  ?   ?       ?      ? 
1 1 1  -49    2    6 o   44.773   12.246   16.310   7.6442   16.310   7.6442   0.0000   0.0000   44.773   12.246  ?   ?       ?      ? 
1 1 1  -49    2    7 o   77.789   8.8019   44.330   9.2785   44.330   9.2785   0.0000   0.0000   77.789   8.8019  ?   ?       ?      ? 
1 1 1  -49    2    8 o   91.621   8.0726   60.699   10.023   60.699   10.023   0.0000   0.0000   91.621   8.0726  ?   ?       ?      ? 
1 1 1  -49    2    9 o   82.025   8.5759   48.991   9.5325   48.991   9.5325   0.0000   0.0000   82.025   8.5759  ?   ?       ?      ? 
1 1 1  -49    2   10 f   84.299   8.4728   51.610   9.6790   51.610   9.6790   0.0000   0.0000   84.299   8.4728  ?   ?       ?      ? 
1 1 1  -49    2   11 o   80.926   8.5621   47.588   9.3897   47.588   9.3897   0.0000   0.0000   80.926   8.5621  ?   ?       ?      ? 
1 1 1  -49    2   12 o  121.899   7.3884  106.045   12.205  106.045   12.205   0.0000   0.0000  121.899   7.3884  ?   ?       ?      ? 
1 1 1  -49    2   13 o  139.540   5.0234  138.326   9.4977  140.313   13.570  136.417   13.298  140.501   7.1270  138.578   7.0812 1.923141 10.04678 
1 1 1  -49    2   14 o   88.221   5.8865   56.215   7.0361   56.801   10.064   55.655   9.8405   88.635   8.3791   87.808   8.2699 0.8273239 11.77294 
1 1 1  -49    2   15 o  116.103   5.3216   96.304   8.3654   93.478   11.949   99.020   11.715  114.280   7.7160  117.926   7.3309 -3.645630 10.64324 
1 1 1  -49    2   16 o   89.736   5.9701   58.203   7.2584   58.776   10.389   57.657   10.145   90.125   8.5062   89.347   8.3793 0.7782593 11.94015 
1 1 1  -49    2   17 o  131.593   5.1795  123.132   9.2308  125.243   13.328  121.186   12.797  132.597   7.4172  130.589   7.2314 2.007706 10.35895 
1 1 1  -49    2   18 o  121.854   6.4730  103.731   10.225   93.155   12.505  125.078   17.765  113.838   8.1059  129.871   10.094 -16.03368 12.94598 
1 1 1  -49    2   19 o  136.713   6.3557  134.812   11.230  131.858   13.900  140.366   19.057  135.978   7.5432  137.448   10.231 -1.470184 12.71144 
1 1 1  -49    2   20 o   84.444   8.9268   61.267   8.6630   73.935   10.845   38.939   14.399  101.606   7.8768   67.283   16.022 34.32308 17.85351 
1 1 1  -49    2   21 o   75.120   6.7818   41.268   6.8264   49.852   9.9883   33.744   9.3511   82.827   8.8988   67.412   10.236 15.41518 13.56355 
1 1 1  -49    2   22 o   80.290   6.5323   46.925   7.0183   57.077   10.244   37.944   9.6349   88.895   8.5035   71.685   9.9183 17.21001 13.06452 
1 1 1  -49    2   23 o  178.163   5.0933  225.214   12.289  226.044   17.709  224.443   17.068  178.340   7.3275  177.987   7.0765 0.3528900 10.18668 
1 1 1  -49    2   24 o  156.187   5.2390  173.191   11.077  182.062   16.114  165.243   15.251  159.946   7.4345  152.429   7.3835 7.517120 10.47790 
1 1 1  -49    2   25 o  167.312   6.4043  202.883   13.578  206.364   23.797  201.203   16.533  166.280   10.561  168.344   7.2473 -2.064606 12.80854 
1 1 1  -49    2   26 o  181.646   6.3393  240.760   14.660  236.863   25.243  242.744   18.009  178.314   10.447  184.977   7.1843 -6.662750 12.67851 
1 1 1  -49    2   27 o   80.107   10.450   52.843   10.909   51.687   14.958   54.157   15.944   79.495   14.416   80.720   15.131 -1.225700 20.89928 
1 1 1  -49    2   28 o   78.628   10.070   45.777   10.729   45.777   10.729   0.0000   0.0000   78.628   10.070  ?   ?       ?      ? 
1 1 1  -49    2   29 o   73.244   8.8096   47.029   6.8968   52.313   8.0081   31.857   13.571   86.023   6.8696   60.465   16.225 25.55821 17.61916 
1 1 1  -49    2   30 o  123.597   6.1310  109.994   8.9292  109.331   10.360  111.912   17.610  124.886   6.1215  122.307   10.625 2.579666 12.26202 
1 1 1  -49    2   31 o  118.675   6.3057  105.177   8.7769  108.498   10.271   96.184   16.899  124.420   6.0916  112.931   11.043 11.48878 12.61148 
1 1 1  -49    2   32 o  127.850   6.1133  120.793   9.2208  123.675   10.795  113.013   17.734  132.894   5.9940  122.806   10.657 10.08821 12.22664 
1 1 1  -49    2   33 o   89.316   7.9251   66.203   7.6376   72.932   8.9844   48.670   14.503  101.739   6.5166   76.892   14.449 24.84663 15.85020 
1 1 1  -49    2   34 o  107.304   6.5859   87.011   8.2657   90.217   9.6806   78.382   15.879  113.277   6.3063  101.330   11.564 11.94621 13.17176 
1 1 1  -49    2   35 o   84.750   7.5610   53.915   8.1869   53.864   10.085   54.013   14.020   86.141   8.6394   83.359   12.411 2.782623 15.12195 
1 1 1  -49    2   36 o  153.554   5.9532  171.605   11.767  167.259   19.790  173.981   14.635  150.420   9.7087  156.689   6.8924 -6.268295 11.90646 
1 1 1  -49    2   37 o  116.786   5.2575   97.407   8.3127   97.236   12.006   97.564   11.521  116.552   7.6015  117.020   7.2651 -0.4671631 10.51498 
1 1 1  -49    2   38 o   87.314   5.7417   55.024   6.7886   57.672   9.6465   52.426   9.5552   89.503   7.9533   85.124   8.2834 4.379662 11.48346 
1 1 1  -49    2   39 o   78.379   6.1713   44.885   6.5260   49.482   9.2414   40.312   9.2170   82.688   8.2473   74.070   9.1826 8.618118 12.34251 
1 1 1  -49    2   40 o   86.782   8.2621   60.747   8.3638   51.461   14.907   65.013   10.104   78.535   14.543   95.029   7.8461 -16.49387 16.52421 
1 1 1  -49    2   41 o   94.284   7.4224   66.978   8.6463   66.995   15.677   66.970   10.365   92.233   12.543   96.334   7.9400 -4.101471 14.84479 
1 1 1  -49    2   42 o   73.925   6.4549   40.323   6.4527   37.958   9.1927   42.621   9.0597   71.550   9.4808   76.300   8.7621 -4.749123 12.90973 
1 1 1  -49    2   43 o   32.886   8.6273   7.1659   5.2259   10.824   7.7028   4.0462   7.1134   37.105   12.715   28.668   11.664 8.437607 17.25461 
1 1 1  -49    2   44 o   35.531   8.6835   9.5916   5.2541   6.1492   7.5931   12.754   7.2777   31.351   12.283   39.711   12.278 -8.359838 17.36703 
1 1 1  -49    2   45 o   82.460   6.1552   50.188   6.8341   46.356   9.9433   53.618   9.4085   79.021   9.2855   85.899   8.0826 -6.877602 12.31049 
1 1 1  -49    2   46 o  115.722   5.4294   96.618   8.5063  101.803   12.339   91.921   11.742  118.682   7.6722  112.763   7.6844 5.918617 10.85876 
1 1 1  -49    2   47 o  172.962   6.1798  218.871   13.757  214.978   16.977  226.312   23.474  172.941   7.2442  172.982   10.014 -0.4060364E-01 12.35959 
1 1 1  -49    2   48 o  158.989   6.5341  188.347   13.104  188.126   15.948  188.806   22.993  161.620   7.2816  156.359   10.852 5.261398 13.06829 
1 1 1  -49    2   49 o  114.101   6.7930   85.950   9.7891   65.249   11.570  138.086   18.362   93.501   9.1316  134.701   10.059 -41.20024 13.58598 
1 1 1  -49    2   50 f  107.031   7.2805   88.803   9.7845   90.977   11.976   84.437   16.968  111.583   7.9201  102.478   12.219 9.104431 14.56108 
1 1 1  -49    2   51 o   83.657   8.8373   59.688   8.7756   66.189   10.893   47.667   14.812   94.541   8.5025   72.773   15.495 21.76833 17.67467 
1 1 1  -49    2   52 o   81.310   7.9798   47.927   8.3748   38.159   10.130   69.018   14.885   69.943   10.688   92.677   11.852 -22.73351 15.95966 
1 1 1  -49    2   53 o   46.013   10.527   17.567   7.1952   12.891   8.7544   27.299   12.631   38.813   13.541   53.213   16.123 -14.40029 21.05495 
1 1 1  -49    2   54 o   81.432   8.5829   54.191   8.6119   54.025   10.585   54.516   14.813   84.342   9.2607   78.521   14.454 5.821030 17.16586 
1 1 1  -49    2   55 o  110.713   8.3796   99.822   12.411   82.639   17.213  118.432   17.913   99.225   12.801  122.201   10.817 -22.97599 16.75920 
1 1 1  -49    2   56 o   45.037   16.382   20.453   12.944   0.0000   0.0000   20.453   12.944  ?   ?    45.037   16.382      ?      ? 
1 1 1  -49    2   57 f   41.100   15.821   16.330   12.428   0.0000   0.0000   16.330   12.428  ?   ?    41.100   15.821      ?      ? 
1 1 1  -49    2   58 o   65.224   16.600   42.904   14.710   0.0000   0.0000   42.904   14.710  ?   ?    65.224   16.600      ?      ? 
1 1 1  -49    2   59 o   52.166   16.996   29.569   13.789   0.0000   0.0000   29.569   13.789  ?   ?    52.166   16.996      ?      ? 
1 1 1  -49    3    1 o   77.633   8.7582   44.696   9.2139   44.696   9.2139   0.0000   0.0000   77.633   8.7582  ?   ?       ?      ? 
1 1 1  -49    3    2 o   42.460   12.458   14.996   7.6360   14.996   7.6360   0.0000   0.0000   42.460   12.458  ?   ?       ?      ? 
1 1 1  -49    3    3 o   73.785   8.8980   40.321   8.8970   40.321   8.8970   0.0000   0.0000   73.785   8.8980  ?   ?       ?      ? 
1 1 1  -49    3    4 o   82.113   8.5737   49.549   9.5404   49.549   9.5404   0.0000   0.0000   82.113   8.5737  ?   ?       ?      ? 
1 1 1  -49    3    5 f   73.522   9.0772   40.027   9.0438   40.027   9.0438   0.0000   0.0000   73.522   9.0772  ?   ?       ?      ? 
1 1 1  -49    3    6 o   26.219   11.234   1.5776   7.1296   1.5776   7.1296   0.0000   0.0000   26.219   11.234  ?   ?       ?      ? 
1 1 1  -49    3    7 o   27.734   11.508   3.1748   7.1040   3.1748   7.1040   0.0000   0.0000   27.734   11.508  ?   ?       ?      ? 
1 1 1  -49    3    8 o  103.567   7.6806   77.255   10.780   77.255   10.780   0.0000   0.0000  103.567   7.6806  ?   ?       ?      ? 
1 1 1  -49    3    9 o  100.417   8.0282   72.953   10.925   72.953   10.925   0.0000   0.0000  100.417   8.0282  ?   ?       ?      ? 
1 1 1  -49    3   10 o  101.623   7.9523   74.560   10.951   74.560   10.951   0.0000   0.0000  101.623   7.9523  ?   ?       ?      ? 
1 1 1  -49    3   11 o   91.220   8.3166   60.369   10.281   60.369   10.281   0.0000   0.0000   91.220   8.3166  ?   ?       ?      ? 
1 1 1  -49    3   12 o  100.825   7.9218   73.244   10.824   73.244   10.824   0.0000   0.0000  100.825   7.9218  ?   ?       ?      ? 
1 1 1  -49    3   13 o   70.835   9.6856   37.182   9.2973   37.182   9.2973   0.0000   0.0000   70.835   9.6856  ?   ?       ?      ? 
1 1 1  -49    3   14 o   54.017   12.109   23.284   8.6448   23.284   8.6448   0.0000   0.0000   54.017   12.109  ?   ?       ?      ? 
1 1 1  -49    3   15 o   88.776   8.4111   57.098   10.119   57.098   10.119   0.0000   0.0000   88.776   8.4111  ?   ?       ?      ? 
1 1 1  -49    3   16 o   50.375   12.455   20.439   8.4542   20.439   8.4542   0.0000   0.0000   50.375   12.455  ?   ?       ?      ? 
1 1 1  -49    3   17 o   94.796   8.2366   64.868   10.581   64.868   10.581   0.0000   0.0000   94.796   8.2366  ?   ?       ?      ? 
1 1 1  -49    3   18 o  108.955   7.0297   87.306   9.6207   89.940   17.148   86.096   11.622  108.354   11.678  109.555   7.8284 -1.200523 14.05947 
1 1 1  -49    3   19 o  107.676   6.8721   83.590   9.3991   91.690   16.691   79.828   11.374  109.945   11.203  105.408   7.9626 4.536957 13.74415 
1 1 1  -49    3   20 o   52.519   10.176   22.969   7.1547   23.350   12.737   22.793   8.6479   51.532   16.291   53.505   12.198 -1.973221 20.35170 
1 1 1  -49    3   21 o  112.837   7.0146   93.917   9.8866   95.030   17.709   93.413   11.916  111.410   11.730  114.263   7.6958 -2.853340 14.02915 
1 1 1  -49    3   22 o   95.977   7.3359   70.185   9.0880   74.866   11.555   62.591   14.716  101.805   8.3753   90.148   12.046 11.65729 14.67171 
1 1 1  -49    3   23 o   62.945   9.3673   32.590   7.6211   35.216   9.6443   28.223   12.436   68.711   10.358   57.180   15.611 11.53091 18.73454 
1 1 1  -49    3   24 o   84.504   7.5646   54.020   8.3659   55.657   10.695   51.438   13.429   87.344   9.0357   81.663   12.135 5.680923 15.12923 
1 1 1  -49    3   25 o   77.270   6.9245   44.403   7.1824   39.144   10.362   49.265   9.9646   72.303   10.576   82.236   8.9416 -9.932823 13.84899 
1 1 1  -49    3   26 o   55.104   8.7116   24.192   6.3366   23.991   9.1853   24.374   8.7529   54.663   12.650   55.545   11.981 -0.8822136 17.42321 
1 1 1  -49    3   27 o  107.703   6.2153   84.603   7.8858   85.011   9.1769   83.451   15.419  110.065   6.1526  105.340   10.801 4.725212 12.43060 
1 1 1  -49    3   28 f   99.634   6.8112   77.275   7.7822   82.189   9.1115   64.021   14.963  108.180   6.2152   91.088   12.122 17.09224 13.62248 
1 1 1  -49    3   29 o   54.708   8.9710   23.882   5.9019   24.065   6.7834   23.310   11.972   57.569   8.6951   51.847   15.694 5.721836 17.94207 
1 1 1  -49    3   30 o  110.647   7.5333   87.436   11.296   87.436   11.296   0.0000   0.0000  110.647   7.5333  ?   ?       ?      ? 
1 1 1  -49    3   31 o  124.859   7.3814  111.142   12.489  111.142   12.489   0.0000   0.0000  124.859   7.3814  ?   ?       ?      ? 
1 1 1  -49    3   32 o   87.028   8.2284   61.914   8.4708   70.592   10.581   46.423   14.137   99.150   7.8747   74.906   14.451 24.24403 16.45684 
1 1 1  -49    3   33 o   46.931   9.0371   19.516   5.9340   22.410   6.9159   11.439   11.553   54.447   9.7304   39.414   15.231 15.03304 18.07412 
1 1 1  -49    3   34 o   82.304   7.4726   51.072   7.7762   51.506   9.5136   50.198   13.498   84.375   8.3205   80.232   12.415 4.142410 14.94511 
1 1 1  -49    3   35 o   62.731   8.1835   27.842   6.1957   24.228   7.2394   37.739   11.979   57.390   9.3086   68.072   13.462 -10.68222 16.36707 
1 1 1  -49    3   36 o   77.108   7.2769   43.265   6.8685   41.561   8.0939   47.652   12.983   76.010   7.8579   78.206   12.250 -2.195816 14.55383 
1 1 1  -49    3   37 o   98.971   6.6843   74.069   7.9072   76.527   9.3614   67.950   14.771  103.982   6.6435   93.959   11.601 10.02280 13.36857 
1 1 1  -49    3   38 o   75.646   6.2792   42.163   6.3765   36.617   9.1235   47.458   8.9154   70.289   9.5784   81.003   8.1219 -10.71411 12.55830 
1 1 1  -49    3   39 o  122.118   5.1562  106.672   8.5225  100.776   12.037  112.599   12.069  118.554   7.4922  125.681   7.0860 -7.126839 10.31236 
1 1 1  -49    3   40 o  103.807   5.5151   77.336   7.7172   88.926   11.285   67.155   10.577  111.332   7.4800   96.282   8.1064 15.04910 11.03014 
1 1 1  -49    3   41 o  102.530   5.4835   75.818   7.6162   75.248   10.885   76.365   10.660  102.059   7.8707  103.001   7.6372 -0.9417953 10.96694 
1 1 1  -49    3   42 o   38.732   8.8542   12.235   6.5568  -4.7614   11.990   19.486   7.8316   28.316   13.125   49.149   11.888 -20.83306 17.70836 
1 1 1  -49    3   43 o   40.158   9.5067   13.856   6.6307   3.8151   12.289   17.980   7.8754   33.421   14.536   46.895   12.256 -13.47457 19.01336 
1 1 1  -49    3   44 o   63.541   7.5972   31.687   6.2061   23.076   8.7761   40.299   8.7773   53.091   12.419   73.990   8.7539 -20.89912 15.19442 
1 1 1  -49    3   45 o   92.797   7.0521   62.147   8.4411   56.004   10.274   74.909   14.808   87.201   8.6940   98.393   11.106 -11.19197 14.10424 
1 1 1  -49    3   46 o   76.696   8.3233   47.063   7.8650   48.330   9.7349   44.681   13.347   80.783   8.8926   72.609   14.072 8.173401 16.64661 
1 1 1  -49    3   47 o   30.189   9.1029   1.8750   6.2578  -1.6806   7.6238   9.2183   10.956   24.179   10.923   36.199   14.565 -12.01951 18.20577 
1 1 1  -49    3   48 o   90.800   8.0096   66.092   9.0206   69.344   11.045   59.577   15.632   97.031   8.3999   84.569   13.640 12.46241 16.01919 
1 1 1  -49    3   49 o   89.251   8.7686   59.224   10.605   59.224   10.605   0.0000   0.0000   89.251   8.7686  ?   ?       ?      ? 
1 1 1  -49    3   50 o   63.998   9.5420   39.161   7.9047   47.747   9.7439   22.632   13.519   79.843   9.0056   48.154   16.826 31.68925 19.08401 
1 1 1  -49    3   51 o   75.643   8.4013   42.434   8.1759   34.907   9.8498   59.111   14.660   66.674   10.902   84.611   12.786 -17.93759 16.80264 
1 1 1  -49    3   52 o  112.297   8.2090  100.937   12.466   92.867   17.108  110.072   18.201  107.289   11.767  117.306   11.450 -10.01717 16.41799 
1 1 1  -49    3   53 o   56.612   11.265   31.291   9.4472   40.356   13.263   21.955   13.459   66.467   15.072   46.758   16.746 19.70979 22.52980 
1 1 1  -49    3   54 o   41.897   11.195   16.645   8.7009   16.995   12.075   16.267   12.548   42.268   15.745   41.526   15.919 0.7417488 22.39024 
1 1 1  -49    3   55 o   41.405   11.132   16.218   8.7179   19.575   12.410   12.947   12.250   44.372   16.056   38.437   15.424 5.934284 22.26407 
1 1 1  -49    3   56 o   89.970   9.2185   69.211   11.207   62.875   15.382   76.380   16.361   85.171   13.328   94.769   12.740 -9.598907 18.43704 
1 1 1  -49    3   57 f   69.916   11.298   47.656   10.471   48.164   14.684   47.130   14.935   70.680   15.735   69.152   16.218 1.528343 22.59680 
1 1 1  -49    3   58 o   45.436   16.763   22.468   13.622   0.0000   0.0000   22.468   13.622  ?   ?    45.436   16.763      ?      ? 
1 1 1  -49    4    1 o   57.838   11.577   27.161   8.7575   27.161   8.7575   0.0000   0.0000   57.838   11.577  ?   ?       ?      ? 
1 1 1  -49    4    2 o   45.745   12.574   17.640   8.0362   17.640   8.0362   0.0000   0.0000   45.745   12.574  ?   ?       ?      ? 
1 1 1  -49    4    3 o   51.775   12.012   22.022   8.2645   22.022   8.2645   0.0000   0.0000   51.775   12.012  ?   ?       ?      ? 
1 1 1  -49    4    4 o   55.070   11.462   24.384   8.2752   24.384   8.2752   0.0000   0.0000   55.070   11.462  ?   ?       ?      ? 
1 1 1  -49    4    5 o   85.128   8.5662   53.381   9.8820   53.381   9.8820   0.0000   0.0000   85.128   8.5662  ?   ?       ?      ? 
1 1 1  -49    4    6 o   73.151   14.262   45.496   13.630   45.496   13.630   0.0000   0.0000   73.151   14.262  ?   ?       ?      ? 
1 1 1  -49    4    7 o   70.031   14.703   42.185   13.509   42.185   13.509   0.0000   0.0000   70.031   14.703  ?   ?       ?      ? 
1 1 1  -49    4    8 o   84.015   12.741   56.549   14.506   56.549   14.506   0.0000   0.0000   84.015   12.741  ?   ?       ?      ? 
1 1 1  -49    4    9 o  188.874   10.369  270.437   26.539  270.437   26.539   0.0000   0.0000  188.874   10.369  ?   ?       ?      ? 
1 1 1  -49    4   10 o  127.336   11.140  124.713   19.223  124.713   19.223   0.0000   0.0000  127.336   11.140  ?   ?       ?      ? 
1 1 1  -49    4   11 o  127.009   11.180  123.976   19.243  123.976   19.243   0.0000   0.0000  127.009   11.180  ?   ?       ?      ? 
1 1 1  -49    4   12 o  198.554   10.439  297.995   28.089  297.995   28.089   0.0000   0.0000  198.554   10.439  ?   ?       ?      ? 
1 1 1  -49    4   13 o  116.257   7.7346   97.320   12.185   97.320   12.185   0.0000   0.0000  116.257   7.7346  ?   ?       ?      ? 
1 1 1  -49    4   14 o  120.673   7.6200  104.611   12.461  104.611   12.461   0.0000   0.0000  120.673   7.6200  ?   ?       ?      ? 
1 1 1  -49    4   15 o  129.543   7.4744  120.231   13.121  120.231   13.121   0.0000   0.0000  129.543   7.4744  ?   ?       ?      ? 
1 1 1  -49    4   16 o  140.632   7.3753  141.428   14.055  141.428   14.055   0.0000   0.0000  140.632   7.3753  ?   ?       ?      ? 
1 1 1  -49    4   17 o  153.019   7.2832  167.156   15.103  167.156   15.103   0.0000   0.0000  153.019   7.2832  ?   ?       ?      ? 
1 1 1  -49    4   18 o  139.148   7.4581  138.517   14.063  138.517   14.063   0.0000   0.0000  139.148   7.4581  ?   ?       ?      ? 
1 1 1  -49    4   19 o  101.825   8.2530   75.029   11.388   75.029   11.388   0.0000   0.0000  101.825   8.2530  ?   ?       ?      ? 
1 1 1  -49    4   20 f  144.811   7.4745  149.975   14.668  149.975   14.668   0.0000   0.0000  144.811   7.4745  ?   ?       ?      ? 
1 1 1  -49    4   21 o   94.475   8.7307   65.040   11.178   65.040   11.178   0.0000   0.0000   94.475   8.7307  ?   ?       ?      ? 
1 1 1  -49    4   22 o   94.776   8.5284   65.232   10.953   65.232   10.953   0.0000   0.0000   94.776   8.5284  ?   ?       ?      ? 
1 1 1  -49    4   23 o   78.896   6.6450   45.814   7.0961   48.826   10.163   42.949   9.9122   81.558   9.1957   76.233   9.5950 5.325577 13.29003 
1 1 1  -49    4   24 o  142.418   6.6571  150.264   11.821  146.561   21.038  151.972   14.290  138.773   11.187  146.063   7.2195 -7.289932 13.31413 
1 1 1  -49    4   25 o  133.265   6.7140  131.249   11.207  129.923   19.868  131.867   13.572  130.609   11.226  135.920   7.3687 -5.311417 13.42797 
1 1 1  -49    4   26 o   74.850   10.301   45.764   9.9670   53.175   15.558   40.605   12.980   79.626   14.968   70.075   14.157 9.550919 20.60227 
1 1 1  -49    4   27 o  107.314   8.3414   87.708   11.966   95.287   18.762   82.511   15.536  110.321   12.550  104.307   10.991 6.013947 16.68284 
1 1 1  -49    4   28 o   90.350   6.8251   60.903   7.2344   61.569   8.4262   59.035   14.110   93.295   6.6649   87.404   11.913 5.891121 13.65020 
1 1 1  -49    4   29 o  145.129   5.6604  150.084   9.8773  148.086   11.561  155.484   19.008  145.370   5.8685  144.888   9.6809 0.4818573 11.32077 
1 1 1  -49    4   30 o   88.637   6.5939   56.010   7.0892   53.735   8.2954   62.170   13.651   86.928   7.0420   90.346   11.150 -3.418159 13.18788 
1 1 1  -49    4   31 o  152.111   5.7265  167.420   10.418  167.955   12.211  165.989   19.969  154.831   5.8198  149.391   9.8641 5.440552 11.45296 
1 1 1  -49    4   32 o  140.280   6.1164  148.927   10.084  155.997   11.872  130.611   19.108  149.156   5.8734  131.404   10.731 17.75140 12.23280 
1 1 1  -49    4   33 f  141.654   6.0285  140.992   11.572  140.992   11.572   0.0000   0.0000  141.654   6.0285  ?   ?       ?      ? 
1 1 1  -49    4   34 o  131.307   6.1413  121.350   10.928  121.350   10.928   0.0000   0.0000  131.307   6.1413  ?   ?       ?      ? 
1 1 1  -49    4   35 o  137.758   5.8145  133.359   9.7013  128.204   11.337  147.453   18.746  134.888   6.2024  140.629   9.8369 -5.740463 11.62903 
1 1 1  -49    4   36 o  101.548   6.9111   80.917   8.2033   86.505   9.7173   67.055   15.304  110.579   6.4846   92.516   12.207 18.06375 13.82216 
1 1 1  -49    4   37 o  194.832   5.8152  279.376   13.544  284.429   15.944  266.277   25.669  201.270   5.8456  188.394   10.055 12.87567 11.63041 
1 1 1  -49    4   38 o  120.248   6.3478  109.004   9.0596  112.464   10.677  100.107   17.120  126.218   6.2424  114.278   11.055 11.94067 12.69552 
1 1 1  -49    4   39 o  132.574   5.8323  121.585   9.4492  113.636   11.043  143.319   18.259  126.679   6.4327  138.469   9.7306 -11.79037 11.66466 
1 1 1  -49    4   40 o  191.390   4.9589  260.849   12.840  277.644   18.819  246.221   17.563  197.088   7.0462  185.692   6.9794 11.39665 9.917729 
1 1 1  -49    4   41 o   76.030   7.9681   42.959   7.8038   39.115   9.5054   50.910   13.668   72.248   9.7087   79.813   12.637 -7.564934 15.93622 
1 1 1  -49    4   42 o   71.264   9.0640   42.684   7.8753   46.025   9.7141   36.278   13.452   78.772   9.1001   63.756   15.679 15.01553 18.12810 
1 1 1  -49    4   43 o   84.765   7.7905   55.232   8.4050   54.668   10.307   56.351   14.521   85.990   8.8451   83.540   12.827 2.450920 15.58102 
1 1 1  -49    4   44 o  105.916   8.3693   89.010   11.920   79.689   17.086   97.849   16.637   99.359   12.690  112.473   10.916 -13.11459 16.73854 
1 1 1  -49    4   45 o   57.627   9.9980   27.077   7.3897   23.269   8.9854   35.033   12.989   52.803   12.710   62.452   15.437 -9.648552 19.99601 
1 1 1  -49    4   46 o   41.295   10.292   13.547   6.7220   11.066   8.0611   19.211   12.179   36.959   12.988   45.631   15.968 -8.671322 20.58337 
1 1 1  -49    4   47 o   46.012   10.329   18.570   6.9871   17.756   8.5548   20.199   12.109   45.517   13.138   46.506   15.942 -0.9885750 20.65855 
1 1 1  -49    4   48 o   80.288   8.4681   52.711   8.3178   54.641   10.287   49.067   14.137   85.522   8.8759   75.054   14.424 10.46753 16.93611 
1 1 1  -49    4   49 f   41.541   10.934   15.325   8.2545   12.800   11.333   18.178   12.047   38.978   15.079   44.104   15.838 -5.125973 21.86801 
1 1 1  -49    4   50 o   36.113   14.732   9.6673   11.385   9.6673   11.385   0.0000   0.0000   36.113   14.732  ?   ?       ?      ? 
1 1 1  -49    4   51 o   55.406   15.974   29.585   12.653   29.585   12.653   0.0000   0.0000   55.406   15.974  ?   ?       ?      ? 
1 1 1  -49    4   52 o   46.590   11.397   21.373   8.7631   19.640   12.098   23.287   12.710   44.903   15.898   48.278   16.334 -3.374649 22.79369 
1 1 1  -49    4   53 o   39.474   10.800   13.098   8.8142   21.454   12.330   4.3653   12.604   46.366   16.076   32.581   14.426 13.78516 21.59977 
1 1 1  -49    4   54 o   40.948   11.112   16.008   8.6405   14.900   11.839   17.272   12.639   39.937   15.423   41.960   16.003 -2.022858 22.22471 
1 1 1  -49    4   55 o   34.327   10.272   8.0166   8.4466   11.987   11.447   3.2713   12.514   37.130   14.906   31.525   14.138 5.605038 20.54498 
1 1 1  -49    4   56 o   48.611   10.874   22.405   9.2767   7.7138   12.652   39.484   13.642   34.103   14.791   63.118   15.944 -29.01544 21.74811 
1 1 1  -49    5    1 o  127.524   7.5004  118.852   12.962  118.852   12.962   0.0000   0.0000  127.524   7.5004  ?   ?       ?      ? 
1 1 1  -49    5    2 o  132.118   7.3749  127.036   13.204  127.036   13.204   0.0000   0.0000  132.118   7.3749  ?   ?       ?      ? 
1 1 1  -49    5    3 f   56.419   11.753   26.088   8.6944   26.088   8.6944   0.0000   0.0000   56.419   11.753  ?   ?       ?      ? 
1 1 1  -49    5    4 o   98.773   8.0480   71.672   10.772   71.672   10.772   0.0000   0.0000   98.773   8.0480  ?   ?       ?      ? 
1 1 1  -49    5    5 o   83.992   8.6795   52.382   9.8790   52.382   9.8790   0.0000   0.0000   83.992   8.6795  ?   ?       ?      ? 
1 1 1  -49    5    6 o   94.996   8.1259   66.179   10.461   66.179   10.461   0.0000   0.0000   94.996   8.1259  ?   ?       ?      ? 
1 1 1  -49    5    7 o   80.586   8.9240   48.289   9.7454   48.289   9.7454   0.0000   0.0000   80.586   8.9240  ?   ?       ?      ? 
1 1 1  -49    5    8 o   74.281   9.2008   41.189   9.2616   41.189   9.2616   0.0000   0.0000   74.281   9.2008  ?   ?       ?      ? 
1 1 1  -49    5    9 o  114.083   7.6581   94.297   11.839   94.297   11.839   0.0000   0.0000  114.083   7.6581  ?   ?       ?      ? 
1 1 1  -49    5   10 o  103.819   7.9351   78.382   11.164   78.382   11.164   0.0000   0.0000  103.819   7.9351  ?   ?       ?      ? 
1 1 1  -49    5   11 o   63.072   10.150   30.139   8.6755   30.139   8.6755   0.0000   0.0000   63.072   10.150  ?   ?       ?      ? 
1 1 1  -49    5   12 o  133.675   7.4089  128.596   13.421  128.596   13.421   0.0000   0.0000  133.675   7.4089  ?   ?       ?      ? 
1 1 1  -49    5   13 o  128.917   7.6280  119.935   13.326  119.935   13.326   0.0000   0.0000  128.917   7.6280  ?   ?       ?      ? 
1 1 1  -49    5   14 o  108.187   8.0755   85.024   11.839   85.024   11.839   0.0000   0.0000  108.187   8.0755  ?   ?       ?      ? 
1 1 1  -49    5   15 o  116.627   11.204  104.831   17.708  104.831   17.708   0.0000   0.0000  116.627   11.204  ?   ?       ?      ? 
1 1 1  -49    5   16 o   65.705   15.295   37.586   13.364   37.586   13.364   0.0000   0.0000   65.705   15.295  ?   ?       ?      ? 
1 1 1  -49    5   17 o   56.572   15.486   28.296   12.219   28.296   12.219   0.0000   0.0000   56.572   15.486  ?   ?       ?      ? 
1 1 1  -49    5   18 o  129.923   10.606  128.131   18.673  128.131   18.673   0.0000   0.0000  129.923   10.606  ?   ?       ?      ? 
1 1 1  -49    5   19 o  145.534   10.635  160.764   20.975  160.764   20.975   0.0000   0.0000  145.534   10.635  ?   ?       ?      ? 
1 1 1  -49    5   20 o   68.896   10.095   35.629   9.4251   35.629   9.4251   0.0000   0.0000   68.896   10.095  ?   ?       ?      ? 
1 1 1  -49    5   21 o  111.337   7.9338   89.562   11.970   89.562   11.970   0.0000   0.0000  111.337   7.9338  ?   ?       ?      ? 
1 1 1  -49    5   22 o  121.053   7.9155  105.826   12.985  105.826   12.985   0.0000   0.0000  121.053   7.9155  ?   ?       ?      ? 
1 1 1  -49    5   23 o   90.586   9.0922   60.421   11.161   60.421   11.161   0.0000   0.0000   90.586   9.0922  ?   ?       ?      ? 
1 1 1  -49    5   24 o   73.182   9.9694   40.067   9.8868   40.067   9.8868   0.0000   0.0000   73.182   9.9694  ?   ?       ?      ? 
1 1 1  -49    5   25 o   67.055   10.641   34.081   9.6692   34.081   9.6692   0.0000   0.0000   67.055   10.641  ?   ?       ?      ? 
1 1 1  -49    5   26 o  103.376   8.4554   77.838   11.845   77.838   11.845   0.0000   0.0000  103.376   8.4554  ?   ?       ?      ? 
1 1 1  -49    5   27 f  128.119   7.9222  118.553   13.754  118.553   13.754   0.0000   0.0000  128.119   7.9222  ?   ?       ?      ? 
1 1 1  -49    5   28 o  100.305   7.2471   76.870   9.5192   81.734   12.319   69.661   14.998  105.792   8.5926   94.817   11.672 10.97525 14.49411 
1 1 1  -49    5   29 o   58.597   9.5708   29.975   7.7751   37.673   10.194   19.268   12.022   70.437   10.680   46.757   15.885 23.68054 19.14156 
1 1 1  -49    5   30 o  158.576   5.5993  179.299   10.705  176.388   12.542  187.108   20.545  158.499   5.8393  158.654   9.5558 -0.1551056 11.19869 
1 1 1  -49    5   31 o  128.602   5.6890  115.726   8.9063  110.608   10.428  129.524   17.124  125.264   6.1431  131.941   9.5771 -6.676971 11.37800 
1 1 1  -49    5   32 o   70.982   7.2673   36.009   6.3389   33.340   7.4336   43.124   12.136   67.797   8.0911   74.168   12.074 -6.370369 14.53465 
1 1 1  -49    5   33 o   58.665   8.4753   23.363   5.9533   17.786   6.8941   39.717   11.805   47.468   10.942   69.863   12.946 -22.39488 16.95063 
1 1 1  -49    5   34 o  112.491   6.1830   91.153   8.3134   89.165   9.6875   96.708   16.193  112.249   6.3686  112.733   10.600 -0.4845734 12.36596 
1 1 1  -49    5   35 o  108.748   6.4858   83.859   9.5581   83.859   9.5581   0.0000   0.0000  108.748   6.4858  ?   ?       ?      ? 
1 1 1  -49    5   36 o  147.452   7.1169  155.663   14.221  155.663   14.221   0.0000   0.0000  147.452   7.1169  ?   ?       ?      ? 
1 1 1  -49    5   37 o  122.873   6.5383  113.949   10.231  118.350   12.706  105.832   17.255  128.341   7.3056  117.404   10.846 10.93701 13.07658 
1 1 1  -49    5   38 f   65.484   8.8554   32.494   7.1871   27.629   8.6714   43.171   12.845   59.084   11.241   71.884   13.686 -12.79987 17.71076 
1 1 1  -49    5   39 o  115.920   6.6309   99.839   9.7711   98.908   11.947  101.720   16.982  117.016   7.5338  114.823   10.914 2.192810 13.26180 
1 1 1  -49    5   40 o  113.491   6.6475   94.493   9.6424   90.685   11.758  102.317   16.851  111.776   7.7622  115.206   10.794 -3.430260 13.29497 
1 1 1  -49    5   41 o   80.778   7.9040   50.257   8.1588   49.078   10.010   52.590   14.081   81.161   9.1017   80.395   12.925 0.7659454 15.80799 
1 1 1  -49    5   42 o   74.776   9.0138   47.476   8.1532   51.775   10.100   39.437   13.814   83.434   8.9331   66.117   15.659 17.31712 18.02765 
1 1 1  -49    5   43 o   88.974   7.4579   57.893   8.6646   49.684   10.661   73.871   14.873   80.997   9.7124   96.951   11.320 -15.95405 14.91572 
1 1 1  -49    5   44 o   77.841   8.1244   45.079   8.1763   38.752   9.9325   58.378   14.401   70.959   10.329   84.722   12.543 -13.76286 16.24881 
1 1 1  -49    5   45 o   99.743   8.4920   79.830   11.460   84.377   16.792   75.865   15.679  102.250   12.119   97.237   11.899 5.013611 16.98409 
1 1 1  -49    5   46 o   68.872   15.126   42.666   13.731   0.0000   0.0000   42.666   13.731  ?   ?    68.872   15.126      ?      ? 
1 1 1  -49    5   47 o  120.089   7.8590  114.176   12.788  115.962   18.091  112.393   18.079  121.179   11.017  118.999   11.211 2.180038 15.71807 
1 1 1  -49    5   48 o  118.200   7.8936  111.108   12.640  108.490   17.633  113.876   18.130  116.806   11.140  119.595   11.187 -2.789116 15.78725 
1 1 1  -49    5   49 o   86.186   9.0354   62.231   10.514   64.870   14.576   59.368   15.181   88.949   12.093   83.422   13.428 5.526855 18.07085 
1 1 1  -49    5   50 o   64.014   10.867   38.275   9.5401   27.454   12.999   50.908   14.045   52.277   16.449   75.752   14.204 -23.47535 21.73310 
1 1 1  -49    5   51 o   99.096   12.099   81.353   16.248   81.353   16.248   0.0000   0.0000   99.096   12.099  ?   ?       ?      ? 
1 1 1  -49    5   52 o   93.098   12.497   73.111   15.766   73.111   15.766   0.0000   0.0000   93.098   12.497  ?   ?       ?      ? 
1 1 1  -49    5   53 o   30.269   9.6254   2.2086   8.2582   2.5467   11.323   1.8243   12.071   30.188   13.500   30.350   13.724 -0.1619892 19.25088 
1 1 1  -49    5   54 o   36.576   10.637   11.531   8.4810   12.143   11.497   10.801   12.562   36.998   14.909   36.154   15.175 0.8431892 21.27336 
1 1 1  -49    6    1 f   64.291   15.021   38.450   12.851   38.450   12.851   0.0000   0.0000   64.291   15.021  ?   ?       ?      ? 
1 1 1  -49    6    2 o   58.105   11.940   28.258   9.0869   28.258   9.0869   0.0000   0.0000   58.105   11.940  ?   ?       ?      ? 
1 1 1  -49    6    3 o   49.657   12.445   21.109   8.3576   21.109   8.3576   0.0000   0.0000   49.657   12.445  ?   ?       ?      ? 
1 1 1  -49    6    4 o   56.916   11.634   26.692   8.6699   26.692   8.6699   0.0000   0.0000   56.916   11.634  ?   ?       ?      ? 
1 1 1  -49    6    5 o   86.486   8.8036   56.133   10.318   56.133   10.318   0.0000   0.0000   86.486   8.8036  ?   ?       ?      ? 
1 1 1  -49    6    6 o   75.941   9.4469   43.816   9.7218   43.816   9.7218   0.0000   0.0000   75.941   9.4469  ?   ?       ?      ? 
1 1 1  -49    6    7 o   46.356   12.936   18.469   8.4351   18.469   8.4351   0.0000   0.0000   46.356   12.936  ?   ?       ?      ? 
1 1 1  -49    6    8 f   71.273   9.5377   38.516   9.2119   38.516   9.2119   0.0000   0.0000   71.273   9.5377  ?   ?       ?      ? 
1 1 1  -49    6    9 o   38.725   12.977   12.555   8.0216   12.555   8.0216   0.0000   0.0000   38.725   12.977  ?   ?       ?      ? 
1 1 1  -49    6   10 o  104.350   7.9257   79.644   11.208   79.644   11.208   0.0000   0.0000  104.350   7.9257  ?   ?       ?      ? 
1 1 1  -49    6   11 o   93.893   8.3318   64.904   10.601   64.904   10.601   0.0000   0.0000   93.893   8.3318  ?   ?       ?      ? 
1 1 1  -49    6   12 o   99.810   8.1141   72.964   10.975   72.964   10.975   0.0000   0.0000   99.810   8.1141  ?   ?       ?      ? 
1 1 1  -49    6   13 o   47.980   12.530   19.210   8.2350   19.210   8.2350   0.0000   0.0000   47.980   12.530  ?   ?       ?      ? 
1 1 1  -49    6   14 o   39.489   12.900   12.924   7.9424   12.924   7.9424   0.0000   0.0000   39.489   12.900  ?   ?       ?      ? 
1 1 1  -49    6   15 o   46.114   12.626   17.750   8.1210   17.750   8.1210   0.0000   0.0000   46.114   12.626  ?   ?       ?      ? 
1 1 1  -49    6   16 o   50.020   12.300   20.606   8.2792   20.606   8.2792   0.0000   0.0000   50.020   12.300  ?   ?       ?      ? 
1 1 1  -49    6   17 o   40.756   12.914   13.796   8.0006   13.796   8.0006   0.0000   0.0000   40.756   12.914  ?   ?       ?      ? 
1 1 1  -49    6   18 o   77.699   9.3723   45.068   9.8683   45.068   9.8683   0.0000   0.0000   77.699   9.3723  ?   ?       ?      ? 
1 1 1  -49    6   19 o   32.769   12.654   7.3214   7.9701   7.3214   7.9701   0.0000   0.0000   32.769   12.654  ?   ?       ?      ? 
1 1 1  -49    6   20 o   43.869   13.066   16.126   8.3477   16.126   8.3477   0.0000   0.0000   43.869   13.066  ?   ?       ?      ? 
1 1 1  -49    6   21 o   45.085   13.166   17.084   8.5458   17.084   8.5458   0.0000   0.0000   45.085   13.166  ?   ?       ?      ? 
1 1 1  -49    6   22 o   78.942   9.3511   46.425   10.003   46.425   10.003   0.0000   0.0000   78.942   9.3511  ?   ?       ?      ? 
1 1 1  -49    6   23 o   87.452   8.9584   56.540   10.616   56.540   10.616   0.0000   0.0000   87.452   8.9584  ?   ?       ?      ? 
1 1 1  -49    6   24 o   77.777   9.3005   45.008   9.8025   45.008   9.8025   0.0000   0.0000   77.777   9.3005  ?   ?       ?      ? 
1 1 1  -49    6   25 o   49.970   12.754   20.711   8.6652   20.711   8.6652   0.0000   0.0000   49.970   12.754  ?   ?       ?      ? 
1 1 1  -49    6   26 o   80.673   9.1396   48.279   9.9916   48.279   9.9916   0.0000   0.0000   80.673   9.1396  ?   ?       ?      ? 
1 1 1  -49    6   27 o  101.012   8.2970   74.550   11.357   74.550   11.357   0.0000   0.0000  101.012   8.2970  ?   ?       ?      ? 
1 1 1  -49    6   28 o   48.766   13.059   19.929   8.8021   19.929   8.8021   0.0000   0.0000   48.766   13.059  ?   ?       ?      ? 
1 1 1  -49    6   29 o   61.241   11.807   30.048   9.4430   30.048   9.4430   0.0000   0.0000   61.241   11.807  ?   ?       ?      ? 
1 1 1  -49    6   30 o   39.907   15.438   12.775   11.878   12.775   11.878   0.0000   0.0000   39.907   15.438  ?   ?       ?      ? 
1 1 1  -49    6   31 o   56.783   16.481   29.972   13.429   29.972   13.429   0.0000   0.0000   56.783   16.481  ?   ?       ?      ? 
1 1 1  -49    6   32 o   49.056   16.505   22.430   12.977   22.430   12.977   0.0000   0.0000   49.056   16.505  ?   ?       ?      ? 
1 1 1  -49    6   33 o   41.831   15.747   14.967   12.141   14.967   12.141   0.0000   0.0000   41.831   15.747  ?   ?       ?      ? 
1 1 1  -49    6   34 o   42.529   9.5344   15.748   6.1981   17.469   7.5249   12.116   10.930   46.171   11.938   38.887   14.869 7.283615 19.06883 
1 1 1  -49    6   35 o   38.566   9.4024   12.537   6.1987   15.317   7.5751   6.9002   10.784   42.961   12.352   34.170   14.179 8.791267 18.80486 
1 1 1  -49    6   36 o   54.517   9.4294   26.098   6.8981   28.515   8.4198   21.165   12.030   61.152   10.160   47.882   15.888 13.26962 18.85881 
1 1 1  -49    6   37 o   83.745   8.6201   51.863   9.7826   51.863   9.7826   0.0000   0.0000   83.745   8.6201  ?   ?       ?      ? 
1 1 1  -49    6   38 o  115.433   6.6517   94.015   9.6909   83.860   11.526  118.505   17.899  107.118   7.9405  123.748   10.674 -16.63054 13.30340 
1 1 1  -49    6   39 o   80.751   7.7877   50.659   7.9746   50.192   9.7555   51.600   13.845   82.167   8.7613   79.335   12.878 2.832466 15.57533 
1 1 1  -49    6   40 o   44.900   8.0814   17.740   6.8033   29.849   8.4455  -4.6426   11.482   62.495   9.9724   27.305   12.720 35.18955 16.16281 
1 1 1  -49    6   41 o   76.384   9.7034   49.722   9.6668   48.138   13.340   51.473   14.028   75.237   13.584   77.531   13.860 -2.294014 19.40672 
1 1 1  -49    6   42 o   43.488   10.754   17.070   8.2493   23.403   11.396   10.099   11.957   50.116   15.342   36.860   15.074 13.25662 21.50817 
1 1 1  -49    6   43 o   90.678   8.5766   66.769   10.531   63.522   14.613   70.278   15.190   88.281   12.215   93.076   12.043 -4.795334 17.15322 
1 1 1  -49    6   44 o   67.935   10.605   41.650   9.4973   38.732   13.080   44.904   13.813   65.199   15.101   70.670   14.893 -5.471649 21.20922 
1 1 1  -49    6   45 o   48.499   11.030   22.112   8.3387   16.936   11.225   28.485   12.457   42.641   15.290   54.358   15.901 -11.71663 22.05996 
1 1 1  -49    6   46 o   39.899   10.740   13.799   8.4227   20.067   11.769   7.2174   12.059   45.519   15.710   34.278   14.647 11.24081 21.47918 
1 1 1  -49    6   47 o   60.917   16.710   37.025   14.209   0.0000   0.0000   37.025   14.209  ?   ?    60.917   16.710      ?      ? 
1 1 1  -49    6   48 o   79.986   10.148   56.525   10.631   44.901   14.376   70.554   15.794   68.672   15.780   91.300   12.765 -22.62833 20.29643 
1 1 1  -49    6   49 o   32.945   10.141   5.8979   8.5041   7.5143   11.653   4.0560   12.439   33.841   14.428   32.050   14.254 1.791641 20.28122 
1 1 1  -49    6   50 o   47.871   11.868   24.544   9.5952   26.524   13.069   22.229   14.133   50.310   16.553   45.433   17.012 4.877308 23.73656 
1 1 1  -49    6   51 o   52.806   11.866   29.564   9.5145   27.929   12.849   31.549   14.157   51.706   16.364   53.907   17.189 -2.201004 23.73296 
1 1 1  -49    7    1 o   72.725   9.5156   41.357   9.3778   41.357   9.3778   0.0000   0.0000   72.725   9.5156  ?   ?       ?      ? 
1 1 1  -49    7    2 o   64.319   10.357   33.013   9.0276   33.013   9.0276   0.0000   0.0000   64.319   10.357  ?   ?       ?      ? 
1 1 1  -49    7    3 o   74.998   9.1902   43.313   9.3402   43.313   9.3402   0.0000   0.0000   74.998   9.1902  ?   ?       ?      ? 
1 1 1  -49    7    4 o   65.108   9.9932   33.249   8.8171   33.249   8.8171   0.0000   0.0000   65.108   9.9932  ?   ?       ?      ? 
1 1 1  -49    7    5 o   66.310   10.016   34.403   9.0005   34.403   9.0005   0.0000   0.0000   66.310   10.016  ?   ?       ?      ? 
1 1 1  -49    7    6 o   27.701   11.640   3.6156   7.4043   3.6156   7.4043   0.0000   0.0000   27.701   11.640  ?   ?       ?      ? 
1 1 1  -49    7    7 o   51.275   12.133   22.295   8.2992   22.295   8.2992   0.0000   0.0000   51.275   12.133  ?   ?       ?      ? 
1 1 1  -49    7    8 o   91.163   8.4979   62.214   10.498   62.214   10.498   0.0000   0.0000   91.163   8.4979  ?   ?       ?      ? 
1 1 1  -49    7    9 o   81.429   8.9054   50.008   9.8269   50.008   9.8269   0.0000   0.0000   81.429   8.9054  ?   ?       ?      ? 
1 1 1  -49    7   10 o   68.639   9.9816   36.383   9.2844   36.383   9.2844   0.0000   0.0000   68.639   9.9816  ?   ?       ?      ? 
1 1 1  -49    7   11 o   66.971   10.077   34.652   9.1457   34.652   9.1457   0.0000   0.0000   66.971   10.077  ?   ?       ?      ? 
1 1 1  -49    7   12 o   40.816   12.995   14.327   8.0936   14.327   8.0936   0.0000   0.0000   40.816   12.995  ?   ?       ?      ? 
1 1 1  -49    7   13 o   97.264   8.2830   70.008   10.917   70.008   10.917   0.0000   0.0000   97.264   8.2830  ?   ?       ?      ? 
1 1 1  -49    7   14 o   90.577   8.4964   60.917   10.429   60.917   10.429   0.0000   0.0000   90.577   8.4964  ?   ?       ?      ? 
1 1 1  -49    7   15 o   94.993   8.4112   66.822   10.828   66.822   10.828   0.0000   0.0000   94.993   8.4112  ?   ?       ?      ? 
1 1 1  -49    7   16 o   71.430   9.6618   38.768   9.3524   38.768   9.3524   0.0000   0.0000   71.430   9.6618  ?   ?       ?      ? 
1 1 1  -49    7   17 o   61.596   11.065   30.262   8.8968   30.262   8.8968   0.0000   0.0000   61.596   11.065  ?   ?       ?      ? 
1 1 1  -49    7   18 o   80.399   8.9411   48.279   9.7415   48.279   9.7415   0.0000   0.0000   80.399   8.9411  ?   ?       ?      ? 
1 1 1  -49    7   19 o   77.030   9.2743   44.602   9.6811   44.602   9.6811   0.0000   0.0000   77.030   9.2743  ?   ?       ?      ? 
1 1 1  -49    7   20 o  109.751   7.9919   88.207   11.886   88.207   11.886   0.0000   0.0000  109.751   7.9919  ?   ?       ?      ? 
1 1 1  -49    7   21 o   58.298   11.941   27.738   9.1160   27.738   9.1160   0.0000   0.0000   58.298   11.941  ?   ?       ?      ? 
1 1 1  -49    7   22 o   84.931   13.000   59.242   14.962   59.242   14.962   0.0000   0.0000   84.931   13.000  ?   ?       ?      ? 
1 1 1  -49    7   23 o   85.412   13.267   60.328   15.355   60.328   15.355   0.0000   0.0000   85.412   13.267  ?   ?       ?      ? 
1 1 1  -49    7   24 o   51.954   16.162   25.451   12.589   25.451   12.589   0.0000   0.0000   51.954   16.162  ?   ?       ?      ? 
1 1 1  -49    7   25 o   38.521   15.141   11.822   11.571   11.822   11.571   0.0000   0.0000   38.521   15.141  ?   ?       ?      ? 
1 1 1  -49    7   26 o   97.128   12.046   75.541   15.856   75.541   15.856   0.0000   0.0000   97.128   12.046  ?   ?       ?      ? 
1 1 1  -49    7   27 o   80.971   13.439   54.496   14.746   54.496   14.746   0.0000   0.0000   80.971   13.439  ?   ?       ?      ? 
1 1 1  -49    7   28 o   36.626   14.947   9.5494   11.726   9.5494   11.726   0.0000   0.0000   36.626   14.947  ?   ?       ?      ? 
1 1 1  -49    7   29 o  109.187   11.688   94.736   17.294   94.736   17.294   0.0000   0.0000  109.187   11.688  ?   ?       ?      ? 
1 1 1  -49    7   30 o   49.584   16.181   23.313   12.496   23.313   12.496   0.0000   0.0000   49.584   16.181  ?   ?       ?      ? 
1 1 1  -49    7   31 o   77.777   14.250   52.167   14.466   52.167   14.466   0.0000   0.0000   77.777   14.250  ?   ?       ?      ? 
1 1 1  -49    7   32 o   42.553   16.005   16.372   12.536   16.372   12.536   0.0000   0.0000   42.553   16.005  ?   ?       ?      ? 
1 1 1  -49    7   33 o   59.505   16.059   33.219   13.250   33.219   13.250   0.0000   0.0000   59.505   16.059  ?   ?       ?      ? 
1 1 1  -49    7   34 o   77.504   14.758   52.875   14.934   52.875   14.934   0.0000   0.0000   77.504   14.758  ?   ?       ?      ? 
1 1 1  -49    7   35 o   64.771   15.799   38.823   13.744   38.823   13.744   0.0000   0.0000   64.771   15.799  ?   ?       ?      ? 
1 1 1  -49    7   40 o   57.100   11.023   32.492   9.7684   45.190   13.285   17.547   14.413   71.532   14.206   42.669   16.858 28.86297 22.04553 
1 1 1  -49    7   41 o   91.307   8.7358   68.482   10.759   60.684   14.584   77.796   15.939   85.288   12.618   97.327   12.085 -12.03870 17.47164 
1 1 1  -49    7   42 o   36.465   10.329   9.6949   7.8673   4.5489   10.447   16.436   11.957   31.235   13.494   41.695   15.641 -10.45958 20.65704 
1 1 1  -49    7   43 o   35.181   9.9972   6.9304   7.8278  -1.9635   10.469   18.206   11.788   27.058   12.442   43.304   15.652 -16.24538 19.99441 
1 1 1  -49    7   44 o   63.372   11.151   38.368   9.5811   32.264   12.993   45.640   14.184   57.080   16.100   69.663   15.432 -12.58234 22.30124 
1 1 1  -49    7   45 o   50.501   11.346   26.110   9.1413   32.938   12.677   18.712   13.194   58.043   15.726   42.959   16.358 15.08419 22.69117 
1 1 1  -49    7   46 o   78.130   10.123   54.681   10.408   44.985   14.091   66.324   15.441   68.573   15.525   87.686   12.995 -19.11346 20.24561 
1 1 1  -49    7   47 o   41.146   11.280   16.935   9.2090   20.866   12.509   12.285   13.607   44.791   16.133   37.500   15.770 7.290932 22.56015 
1 1 1  -49    7   48 o   58.607   17.280   37.108   14.659   0.0000   0.0000   37.108   14.659  ?   ?    58.607   17.280      ?      ? 
1 1 1  -49    8    6 o   48.115   15.912   24.056   12.070   24.056   12.070   0.0000   0.0000   48.115   15.912  ?   ?       ?      ? 
1 1 1  -49    8    7 f   71.793   14.661   47.937   13.781   47.937   13.781   0.0000   0.0000   71.793   14.661  ?   ?       ?      ? 
1 1 1  -49    8    8 o   70.341   15.084   46.601   13.947   46.601   13.947   0.0000   0.0000   70.341   15.084  ?   ?       ?      ? 
1 1 1  -49    8    9 o   56.174   16.087   31.717   12.871   31.717   12.871   0.0000   0.0000   56.174   16.087  ?   ?       ?      ? 
1 1 1  -49    8   10 o   30.611   13.546   3.3451   11.097   3.3451   11.097   0.0000   0.0000   30.611   13.546  ?   ?       ?      ? 
1 1 1  -49    8   11 o   38.848   15.373   13.692   12.003   13.692   12.003   0.0000   0.0000   38.848   15.373  ?   ?       ?      ? 
1 1 1  -49    8   12 o   53.433   16.437   28.969   13.062   28.969   13.062   0.0000   0.0000   53.433   16.437  ?   ?       ?      ? 
1 1 1  -49    8   13 o   54.540   16.374   29.871   13.071   29.871   13.071   0.0000   0.0000   54.540   16.374  ?   ?       ?      ? 
1 1 1  -49    8   14 o   72.715   15.261   48.896   14.559   48.896   14.559   0.0000   0.0000   72.715   15.261  ?   ?       ?      ? 
1 1 1  -49    8   15 o   48.945   16.377   24.125   12.776   24.125   12.776   0.0000   0.0000   48.945   16.377  ?   ?       ?      ? 
1 1 1  -49    8   16 o   37.442   15.114   11.557   11.839   11.557   11.839   0.0000   0.0000   37.442   15.114  ?   ?       ?      ? 
1 1 1  -49    8   17 o   83.827   13.569   60.350   15.414   60.350   15.414   0.0000   0.0000   83.827   13.569  ?   ?       ?      ? 
1 1 1  -49    8   18 o   70.142   15.136   45.005   13.965   45.005   13.965   0.0000   0.0000   70.142   15.136  ?   ?       ?      ? 
1 1 1  -49    8   19 o   43.466   15.822   18.050   12.077   18.050   12.077   0.0000   0.0000   43.466   15.822  ?   ?       ?      ? 
1 1 1  -49    8   20 o   55.357   16.294   30.013   13.044   30.013   13.044   0.0000   0.0000   55.357   16.294  ?   ?       ?      ? 
1 1 1  -49    8   21 o   67.582   15.367   42.090   13.755   42.090   13.755   0.0000   0.0000   67.582   15.367  ?   ?       ?      ? 
1 1 1  -49    8   22 o   33.081   14.027   6.3241   10.910   6.3241   10.910   0.0000   0.0000   33.081   14.027  ?   ?       ?      ? 
1 1 1  -49    8   23 o   52.972   16.387   27.650   12.963   27.650   12.963   0.0000   0.0000   52.972   16.387  ?   ?       ?      ? 
1 1 1  -49    8   24 o   80.559   14.556   57.511   15.306   57.511   15.306   0.0000   0.0000   80.559   14.556  ?   ?       ?      ? 
1 1 1  -49    8   25 o   81.887   13.485   57.073   14.964   57.073   14.964   0.0000   0.0000   81.887   13.485  ?   ?       ?      ? 
1 1 1  -49    8   26 o   26.295   12.317  -5.0570   11.010  -5.0570   11.010   0.0000   0.0000   26.295   12.317  ?   ?       ?      ? 
1 1 1  -49    8   27 o   45.494   15.811   19.910   11.930   19.910   11.930   0.0000   0.0000   45.494   15.811  ?   ?       ?      ? 
1 1 1  -48    0    1 o   63.057   11.001   30.570   8.5436   0.0000   0.0000   30.570   8.5436   63.057   11.001   63.057   11.001 -0.000000 0.000000 
1 1 1  -48    0    2 o   65.563   10.585   32.612   8.6690   0.0000   0.0000   32.612   8.6690   65.563   10.585   65.563   10.585 -0.000000 0.000000 
1 1 1  -48    0    3 o   95.308   7.9250   64.541   10.073   0.0000   0.0000   64.541   10.073   95.308   7.9250   95.308   7.9250 -0.000000 0.000000 
1 1 1  -48    0    4 f   89.903   8.1425   57.684   9.7329   0.0000   0.0000   57.684   9.7329   89.903   8.1425   89.903   8.1425 -0.000000 0.000000 
1 1 1  -48    0    5 o   59.658   11.420   27.723   8.2524   0.0000   0.0000   27.723   8.2524   59.658   11.420   59.658   11.420 -0.000000 0.000000 
1 1 1  -48    0    6 o  101.230   7.7898   72.458   10.541   0.0000   0.0000   72.458   10.541  101.230   7.7898  101.230   7.7898 -0.000000 0.000000 
1 1 1  -48    0    7 o  138.237   7.1220  133.314   13.261   0.0000   0.0000  133.314   13.261  138.237   7.1220  138.237   7.1220 -0.000000 0.000000 
1 1 1  -48    0    8 o   45.621   19.471   22.409   12.267   0.0000   0.0000   22.409   12.267   45.621   19.471   45.621   19.471 -0.000000 0.000000 
1 1 1  -48    0    9 o   76.290   14.233   46.033   13.212   0.0000   0.0000   46.033   13.212   76.290   14.233   76.290   14.233 -0.000000 0.000000 
1 1 1  -48    0   10 o   31.392   17.455   10.918   10.985   0.0000   0.0000   10.918   10.985   31.392   17.455   31.392   17.455 -0.000000 0.000000 
1 1 1  -48    0   11 o   47.389   14.402   19.882   8.0739   0.0000   0.0000   19.882   8.0739   47.389   14.402   47.389   14.402 -0.000000 0.000000 
1 1 1  -48    0   12 o   86.906   8.5850   54.135   9.8841   0.0000   0.0000   54.135   9.8841   86.906   8.5850   86.906   8.5850 -0.000000 0.000000 
1 1 1  -48    0   13 o   91.084   8.3391   59.142   10.095   0.0000   0.0000   59.142   10.095   91.084   8.3391   91.084   8.3391 -0.000000 0.000000 
1 1 1  -48    0   14 o   38.687   15.744   15.118   8.1040   0.0000   0.0000   15.118   8.1040   38.687   15.744   38.687   15.744 -0.000000 0.000000 
1 1 1  -48    0   15 o  104.838   8.0085   77.632   11.225   0.0000   0.0000   77.632   11.225  104.838   8.0085  104.838   8.0085 -0.000000 0.000000 
1 1 1  -48    0   16 o  105.973   8.0333   79.304   11.384   0.0000   0.0000   79.304   11.384  105.973   8.0333  105.973   8.0333 -0.000000 0.000000 
1 1 1  -48    0   17 o  172.378   7.0418  206.273   16.387   0.0000   0.0000  206.273   16.387  172.378   7.0418  172.378   7.0418 -0.000000 0.000000 
1 1 1  -48    0   18 o  150.600   7.2151  157.859   14.648   0.0000   0.0000  157.859   14.648  150.600   7.2151  150.600   7.2151 -0.000000 0.000000 
1 1 1  -48    0   19 o  120.163   7.6772  101.259   12.384   0.0000   0.0000  101.259   12.384  120.163   7.6772  120.163   7.6772 -0.000000 0.000000 
1 1 1  -48    0   20 o   21.176   14.088  -1.6522   10.861   0.0000   0.0000  -1.6522   10.861   21.176   14.088   21.176   14.088 -0.000000 0.000000 
1 1 1  -48    0   21 f   46.226   19.794   22.923   12.671   0.0000   0.0000   22.923   12.671   46.226   19.794   46.226   19.794 -0.000000 0.000000 
1 1 1  -48    0   22 o   46.095   19.617   22.677   12.457   0.0000   0.0000   22.677   12.457   46.095   19.617   46.095   19.617 -0.000000 0.000000 
1 1 1  -48    0   23 o   36.272   16.326   13.971   8.5926   0.0000   0.0000   13.971   8.5926   36.272   16.326   36.272   16.326 -0.000000 0.000000 
1 1 1  -48    0   24 o   96.930   8.6214   66.944   11.119   0.0000   0.0000   66.944   11.119   96.930   8.6214   96.930   8.6214 -0.000000 0.000000 
1 1 1  -48    0   25 o   40.503   16.437   16.609   8.8401   0.0000   0.0000   16.609   8.8401   40.503   16.437   40.503   16.437 -0.000000 0.000000 
1 1 1  -48    0   26 o   19.081   12.550  -0.6070   8.2275   0.0000   0.0000  -0.6070   8.2275   19.081   12.550   19.081   12.550 -0.000000 0.000000 
1 1 1  -48    0   27 o   68.607   11.872   36.079   10.046   0.0000   0.0000   36.079   10.046   68.607   11.872   68.607   11.872 -0.000000 0.000000 
1 1 1  -48    0   28 o   21.635   13.667   2.2712   8.5509   0.0000   0.0000   2.2712   8.5509   21.635   13.667   21.635   13.667 -0.000000 0.000000 
1 1 1  -48    0   29 o  125.338   7.8378  110.217   13.193   0.0000   0.0000  110.217   13.193  125.338   7.8378  125.338   7.8378 -0.000000 0.000000 
1 1 1  -48    0   30 o  163.784   9.8975  190.664   21.784   0.0000   0.0000  190.664   21.784  163.784   9.8975  163.784   9.8975 -0.000000 0.000000 
1 1 1  -48    0   31 o  169.146   6.7368  202.577   15.299  202.569   21.004  202.586   22.329  169.378   9.2133  168.915   9.8311 -0.000000 0.000000 
1 1 1  -48    0   32 o   89.985   8.3500   59.228   9.5838   52.640   12.473   68.726   14.975   83.889   11.605   96.081   12.009 -0.000000 0.000000 
1 1 1  -48    0   33 o  113.396   7.5233   93.643   11.203   97.003   15.035   89.449   16.798  116.375   9.6881  110.418   11.513 -0.000000 0.000000 
1 1 1  -48    0   34 o   33.232   10.649   10.604   7.0656   20.033   9.1564  -3.2753   11.109   45.946   16.195   20.517   13.832 -0.000000 0.000000 
1 1 1  -48    0   35 o   88.395   8.6110   57.705   9.6566   51.162   12.646   66.857   14.956   82.283   12.111   94.508   12.245 -0.000000 0.000000 
1 1 1  -48    0   36 o  112.412   11.135   92.273   16.581   0.0000   0.0000   92.273   16.581  112.412   11.135  112.412   11.135 -0.000000 0.000000 
1 1 1  -48    0   37 o   29.525   17.220   8.9813   11.423   0.0000   0.0000   8.9813   11.423   29.525   17.220   29.525   17.220 -0.000000 0.000000 
1 1 1  -48    0   38 o   46.695   11.869   20.147   7.7309   10.970   10.073   33.303   12.060   31.364   16.963   62.025   16.605 -0.000000 0.000000 
1 1 1  -48    0   39 o   56.685   12.088   29.972   8.1841   33.317   10.705   25.268   12.696   64.076   14.088   49.294   19.646 -0.000000 0.000000 
1 1 1  -48    0   40 o   70.314   10.757   40.869   8.8337   43.866   11.818   37.074   13.299   75.450   12.619   65.178   17.424 -0.000000 0.000000 
1 1 1  -48    0   41 o  145.999   7.0458  150.866   13.699  130.998   18.389  175.645   20.536  135.008   10.184  156.989   9.7391 -0.000000 0.000000 
1 1 1  -48    0   42 o   95.964   8.3128   67.046   10.137   53.817   13.326   85.220   15.619   84.044   12.518  107.885   10.941 -0.000000 0.000000 
1 1 1  -48    0   43 o   78.237   9.4873   47.113   9.1026   42.129   12.065   53.698   13.869   73.113   13.544   83.361   13.289 -0.000000 0.000000 
1 1 1  -48    0   44 o   54.356   17.315   27.384   11.233   27.384   11.233   0.0000   0.0000   54.356   17.315   54.356   17.315 -0.000000 0.000000 
1 1 1  -48    0   45 o   98.040   11.420   71.381   14.635   71.381   14.635   0.0000   0.0000   98.040   11.420   98.040   11.420 -0.000000 0.000000 
1 1 1  -48    0   46 o   56.465   12.894   30.331   8.7952   33.157   12.154   27.225   12.743   61.267   16.927   51.663   19.455 -0.000000 0.000000 
1 1 1  -48    0   47 o   70.749   11.253   41.803   9.3935   42.244   12.902   41.306   13.703   71.917   15.022   69.580   16.760 -0.000000 0.000000 
1 1 1  -48    0   48 o  121.398   7.8167  107.192   12.501   90.938   16.938  126.638   18.526  110.715   11.579  132.081   10.503 -0.000000 0.000000 
1 1 1  -48    0   49 o   94.831   8.9625   67.968   10.853   60.028   14.657   77.608   16.149   88.162   13.124  101.500   12.209 -0.000000 0.000000 
1 1 1  -48    0   50 o   64.630   12.540   37.313   9.4919   35.136   13.056   39.753   13.824   62.168   17.871   67.091   17.598 -0.000000 0.000000 
1 1 1  -48    0   51 o  160.294   7.2671  184.987   15.584  166.339   21.365  206.191   22.782  151.351   10.534  169.236   10.014 -0.000000 0.000000 
1 1 1  -48    0   52 o   37.463   12.735   16.005   8.4213   23.036   11.532   7.9730   12.326   46.535   18.755   28.390   17.234 -0.000000 0.000000 
1 1 1  -48    0   53 o   99.335   9.5521   76.689   11.574   96.621   16.699   58.259   16.057  114.248   11.021   84.421   15.605 -0.000000 0.000000 
1 1 1  -48    0   54 o   63.514   12.507   37.895   9.4849   45.252   13.021   29.577   13.844   74.581   14.441   52.448   20.424 -0.000000 0.000000 
1 1 1  -48    0   55 o   65.575   17.863   39.021   13.722   0.0000   0.0000   39.021   13.722   65.575   17.863   65.575   17.863 -0.000000 0.000000 
1 1 1  -48    0   56 o   56.888   19.340   32.420   13.364   0.0000   0.0000   32.420   13.364   56.888   19.340   56.888   19.340 -0.000000 0.000000 
1 1 1  -48    0   57 o  111.424   11.991   94.239   17.575   0.0000   0.0000   94.239   17.575  111.424   11.991  111.424   11.991 -0.000000 0.000000 
1 1 1  -48    0   58 o   38.494   19.432   18.561   12.559   0.0000   0.0000   18.561   12.559   38.494   19.432   38.494   19.432 -0.000000 0.000000 
1 1 1  -48    0   59 o   55.238   19.728   31.876   13.480   0.0000   0.0000   31.876   13.480   55.238   19.728   55.238   19.728 -0.000000 0.000000 
1 1 1  -48    0   60 o   85.010   15.004   59.748   15.677   0.0000   0.0000   59.748   15.677   85.010   15.004   85.010   15.004 -0.000000 0.000000 
1 1 1  -48    1    1 o   53.183   11.415   22.173   7.9805   22.173   7.9805   0.0000   0.0000   53.183   11.415  ?   ?       ?      ? 
1 1 1  -48    1    2 o   77.810   8.5213   43.839   8.9851   43.839   8.9851   0.0000   0.0000   77.810   8.5213  ?   ?       ?      ? 
1 1 1  -48    1    3 o   63.309   10.048   29.701   8.6205   29.701   8.6205   0.0000   0.0000   63.309   10.048  ?   ?       ?      ? 
1 1 1  -48    1    4 o  207.280   4.8023  303.193   13.485  312.504   19.316  294.339   18.836  210.404   6.7745  204.156   6.8083 6.247726 9.604508 
1 1 1  -48    1    5 o   99.509   5.3025   70.533   7.1283   63.968   10.017   77.269   10.146   94.610   7.8128  104.409   7.1712 -9.799614 10.60505 
1 1 1  -48    1    6 o  103.232   5.3014   75.888   7.4050   72.254   10.564   79.399   10.383  100.635   7.7461  105.830   7.2399 -5.195000 10.60276 
1 1 1  -48    1    7 o   67.570   6.6535   33.425   6.0388   28.509   8.4973   38.441   8.5836   62.172   10.086   72.967   8.6807 -10.79562 13.30700 
1 1 1  -48    1    8 o  119.978   5.1067  101.807   8.2728  113.636   11.908   90.771   11.502  126.917   6.9235  113.039   7.5085 13.87820 10.21335 
1 1 1  -48    1    9 o   87.746   7.2540   54.247   8.0044   64.104   14.719   50.108   9.5381   91.976   11.809   83.515   8.4278 8.461021 14.50802 
1 1 1  -48    1   10 o  145.199   4.9741  148.748   9.7838  143.357   13.733  154.305   13.942  142.462   7.1136  147.936   6.9545 -5.473221 9.948294 
1 1 1  -48    1   11 f   96.295   5.8007   66.245   7.5219   76.366   10.877   56.968   10.413  103.612   7.7465   88.978   8.6363 14.63365 11.60149 
1 1 1  -48    1   12 o   60.308   7.9287   27.801   6.2633   21.178   8.7968   34.610   8.9199   51.687   12.660   68.929   9.5495 -17.24181 15.85743 
1 1 1  -48    1   13 o   97.873   5.7969   68.478   7.6803   68.252   11.105   68.686   10.634   97.593   8.3965   98.153   7.9947 -0.5598221 11.59382 
1 1 1  -48    1   14 o  102.397   6.9412   75.627   9.0070   79.393   15.909   73.851   10.927  102.952   11.403  101.842   7.9174 1.110016 13.88232 
1 1 1  -48    1   15 o  202.541   7.1203  300.984   19.459  269.099   27.341  333.714   27.701  190.878   10.570  214.205   9.5430 -23.32684 14.24058 
1 1 1  -48    1   16 o   89.092   8.5291   59.798   10.260   67.121   14.984   53.335   14.077   94.479   11.703   83.706   12.410 10.77330 17.05812 
1 1 1  -48    1   17 o  150.708   6.1709  163.211   12.095  163.211   15.158  163.211   20.064  151.954   7.3612  149.463   9.9062 2.490280 12.34178 
1 1 1  -48    1   18 o  135.911   5.1452  130.201   9.4681  136.235   13.734  124.737   13.070  138.891   7.2971  132.931   7.2556 5.959503 10.29039 
1 1 1  -48    1   19 o   70.202   6.9879   35.854   6.6107   41.192   9.6185   31.075   9.1007   75.370   9.4174   65.034   10.326 10.33615 13.97580 
1 1 1  -48    1   20 o   29.314   8.4987   3.0436   5.5217  -0.1819   7.8391   6.2197   7.7788   26.313   11.523   32.314   12.495 -6.000637 16.99736 
1 1 1  -48    1   21 o   50.849   8.9558   20.295   6.1818   24.007   9.0028   16.984   8.5032   55.440   12.304   46.257   13.016 9.182724 17.91158 
1 1 1  -48    1   22 o  113.036   5.4985   90.645   8.4201   92.620   12.090   88.784   11.734  114.208   7.8116  111.864   7.7405 2.344093 10.99706 
1 1 1  -48    1   23 o   50.610   9.0194   20.263   6.2310   16.966   8.7606   23.637   8.8641   46.155   13.288   55.066   12.200 -8.910881 18.03881 
1 1 1  -48    1   24 o   70.181   7.5943   37.134   6.8824   45.408   9.7364   28.871   9.7300   79.347   9.0549   61.014   12.194 18.33276 15.18859 
1 1 1  -48    1   25 o   36.168   10.166   7.6908   7.0227   7.8215   8.3615   7.3780   12.939   34.597   13.059   37.740   15.585 -3.142117 20.33245 
1 1 1  -48    1   26 o   96.747   8.7903   75.496   9.7068   81.769   11.627   61.068   17.632  107.186   8.0049   86.307   15.652 20.87948 17.58055 
1 1 1  -48    1   27 o   42.047   8.7258   12.495   6.2958   23.760   8.8867   1.1436   8.9206   55.202   12.204   28.891   12.475 26.31105 17.45165 
1 1 1  -48    1   28 o   44.103   9.5422   15.205   6.3940   19.836   9.2059   10.889   8.8875   49.787   13.364   38.418   13.624 11.36930 19.08430 
1 1 1  -48    1   29 o   69.155   8.0132   34.378   6.3488   32.635   7.3056   39.755   12.832   67.724   7.9604   70.586   13.910 -2.862694 16.02641 
1 1 1  -48    1   30 o  133.631   5.8926  123.543   9.2434  119.471   10.623  136.233   18.753  130.936   5.9872  136.327   10.151 -5.390900 11.78523 
1 1 1  -48    1   31 o  149.768   5.9904  165.866   10.475  171.875   12.233  149.348   20.280  157.215   5.7418  142.321   10.515 14.89384 11.98080 
1 1 1  -48    1   32 o   92.792   6.8903   61.806   8.0705   60.096   9.7458   65.536   14.397   91.950   7.8213   93.634   11.346 -1.684395 13.78054 
1 1 1  -48    1   33 o  203.283   6.0174  298.357   15.525  302.671   19.031  289.773   26.841  207.558   6.7661  199.008   9.9527 8.550323 12.03479 
1 1 1  -48    1   34 o   96.743   7.1373   71.525   8.5516   77.424   10.517   60.014   14.691  104.585   7.4206   88.902   12.194 15.68243 14.27467 
1 1 1  -48    1   35 o   88.776   5.6236   56.302   6.7157   48.419   9.4298   64.414   9.5664   82.161   8.4694   95.391   7.4005 -13.23028 11.24716 
1 1 1  -48    1   36 o   58.906   7.3300   26.173   5.6513   22.252   8.1550   29.795   7.8387   53.611   11.565   64.201   9.0099 -10.58944 14.66009 
1 1 1  -48    1   37 o   97.096   5.4637   67.230   7.1481   59.183   10.085   75.351   10.133   90.964   8.1817  103.229   7.2434 -12.26526 10.92733 
1 1 1  -48    1   38 o  147.133   4.8785  152.545   9.7238  147.564   13.702  157.598   13.802  144.638   6.9906  149.628   6.8068 -4.989716 9.757065 
1 1 1  -48    1   39 o   82.198   8.5733   54.512   8.0101   45.221   14.800   58.361   9.5258   73.877   15.287   90.519   7.7656 -16.64208 17.14666 
1 1 1  -48    1   40 o  123.690   6.5820  111.773   10.062  110.074   18.255  112.515   12.059  121.186   11.116  126.195   7.0518 -5.009079 13.16404 
1 1 1  -48    1   41 o   85.064   6.8405   50.113   7.5738   64.023   13.121   43.164   9.2749   92.912   10.421   77.217   8.8636 15.69437 13.68101 
1 1 1  -48    1   42 o   98.047   7.1335   74.834   8.7812   56.394   14.110   86.492   11.218   85.823   12.132  110.272   7.5074 -24.44854 14.26695 
1 1 1  -48    1   43 o   81.671   6.1126   48.200   6.7633   49.328   9.7006   47.132   9.4346   82.586   8.6677   80.755   8.6213 1.831917 12.22523 
1 1 1  -48    1   44 o  219.464   4.9372  340.672   14.679  350.152   21.039  331.680   20.492  222.441   6.9794  216.486   6.9851 5.954239 9.874384 
1 1 1  -48    1   45 o   78.286   6.2274   44.390   6.5939   46.551   9.6971   42.531   8.9932   79.969   8.9482   76.604   8.6632 3.365311 12.45481 
1 1 1  -48    1   46 o   38.728   9.0081   11.608   6.2743   17.976   7.9716   1.2385   10.172   47.353   12.309   30.103   13.156 17.24961 18.01629 
1 1 1  -48    1   47 o   46.814   8.9565   19.114   6.5480   26.524   8.3146   7.0135   10.625   58.655   10.861   34.972   14.245 23.68306 17.91309 
1 1 1  -48    1   48 o  110.975   5.4665   88.411   8.2145   86.967   11.781   89.777   11.460  109.950   7.9071  111.999   7.5504 -2.049194 10.93300 
1 1 1  -48    1   49 o  103.575   5.6704   76.832   7.8528   95.150   11.605   61.358   10.666  115.335   7.4248   91.815   8.5723 23.52016 11.34072 
1 1 1  -48    1   50 o  116.977   5.4492   98.558   8.6227   94.629   12.381  102.260   12.016  114.463   7.9817  119.491   7.4208 -5.028061 10.89839 
1 1 1  -48    1   51 o   96.177   5.9790   67.605   7.7590   61.208   11.015   73.905   10.931   91.278   8.9050  101.075   7.9808 -9.797264 11.95796 
1 1 1  -48    1   52 o  162.143   6.3709  191.557   13.108  187.171   15.932  200.746   23.062  161.602   7.2751  162.684   10.461 -1.082199 12.74182 
1 1 1  -48    1   53 o   67.146   9.6530   35.991   8.0240   32.779   9.7017   42.946   14.275   64.304   11.558   69.987   15.464 -5.683372 19.30591 
1 1 1  -48    1   54 o  137.113   6.5674  139.800   11.463  139.386   14.057  140.621   19.806  139.018   7.4616  135.208   10.810 3.810257 13.13475 
1 1 1  -48    1   55 f   80.302   8.1012   49.269   8.3938   46.378   10.312   54.944   14.449   78.440   9.7015   82.163   12.977 -3.723122 16.20231 
1 1 1  -48    1   56 o   66.188   10.631   38.295   9.8945   56.615   14.759   23.340   13.335   83.009   13.121   49.366   16.731 33.64287 21.26179 
1 1 1  -48    1   57 f   44.407   11.381   18.163   8.9583   21.919   12.577   14.294   12.763   48.031   16.248   40.784   15.940 7.246742 22.76135 
1 1 1  -48    1   58 o  139.697   7.7315  153.106   14.613  163.933   20.888  142.729   20.450  145.064   10.626  134.331   11.234 10.73291 15.46299 
1 1 1  -48    1   59 o   53.344   16.636   28.120   13.329   0.0000   0.0000   28.120   13.329  ?   ?    53.344   16.636      ?      ? 
1 1 1  -48    1   60 o   99.239   12.639   82.000   16.998   0.0000   0.0000   82.000   16.998  ?   ?    99.239   12.639      ?      ? 
1 1 1  -48    1   61 o   47.176   16.659   22.765   13.276   0.0000   0.0000   22.765   13.276  ?   ?    47.176   16.659      ?      ? 
1 1 1  -48    2    1 o   83.723   8.6822   51.020   9.8504   51.020   9.8504   0.0000   0.0000   83.723   8.6822  ?   ?       ?      ? 
1 1 1  -48    2    2 o   93.572   10.988   66.233   13.933   66.233   13.933   0.0000   0.0000   93.572   10.988  ?   ?       ?      ? 
1 1 1  -48    2    3 o   93.590   11.037   66.185   13.998   66.185   13.998   0.0000   0.0000   93.590   11.037  ?   ?       ?      ? 
1 1 1  -48    2    4 o   82.452   11.806   52.027   13.191   52.027   13.191   0.0000   0.0000   82.452   11.806  ?   ?       ?      ? 
1 1 1  -48    2    5 o  132.238   9.9324  129.158   17.799  129.158   17.799   0.0000   0.0000  132.238   9.9324  ?   ?       ?      ? 
1 1 1  -48    2    6 o   57.905   14.924   28.185   11.784   28.185   11.784   0.0000   0.0000   57.905   14.924  ?   ?       ?      ? 
1 1 1  -48    2    7 o   92.747   11.096   64.642   13.945   64.642   13.945   0.0000   0.0000   92.747   11.096  ?   ?       ?      ? 
1 1 1  -48    2    8 o   53.559   8.0049   22.179   5.7847   30.172   8.3114   14.669   8.0561   64.220   9.5504   42.897   12.849 21.32280 16.00975 
1 1 1  -48    2    9 o   65.289   6.7763   31.155   5.9829   31.443   8.7569   30.903   8.1935   65.422   9.8774   65.156   9.2796 0.2661057 13.55264 
1 1 1  -48    2   10 o   83.018   5.9078   49.438   6.6400   50.438   9.6381   48.534   9.1609   83.739   8.4933   82.298   8.2143 1.441750 11.81570 
1 1 1  -48    2   11 o  140.809   4.9875  140.370   9.4875  132.133   13.665  148.037   13.183  136.536   7.3853  145.083   6.7052 -8.546204 9.975085 
1 1 1  -48    2   12 o  140.310   5.0204  139.286   9.5220  133.834   13.771  144.280   13.180  137.434   7.3943  143.186   6.7927 -5.752136 10.04078 
1 1 1  -48    2   13 o  154.511   4.9759  168.483   10.408  166.345   14.993  170.471   14.461  153.411   7.2117  155.611   6.8577 -2.199631 9.951728 
1 1 1  -48    2   14 o  178.732   4.9342  224.723   11.940  235.144   17.343  215.335   16.462  182.634   7.0076  174.829   6.9484 7.804947 9.868472 
1 1 1  -48    2   15 o   96.674   5.8521   66.960   7.6520   62.797   10.864   71.058   10.779   93.500   8.5745   99.848   7.9666 -6.347870 11.70423 
1 1 1  -48    2   16 o  149.863   5.0664  157.998   10.270  171.679   14.988  145.890   14.100  156.021   7.0888  143.704   7.2404 12.31693 10.13286 
1 1 1  -48    2   17 o   76.612   6.5198   42.565   6.7560   41.063   9.7296   43.965   9.3883   75.120   9.5577   78.103   8.8703 -2.982903 13.03960 
1 1 1  -48    2   18 o  101.401   5.7187   73.355   7.8558   72.506   11.202   74.177   11.020  100.749   8.2049  102.053   7.9683 -1.303780 11.43739 
1 1 1  -48    2   19 o   57.198   8.1843   25.480   6.2212   16.734   8.8044   34.202   8.7919   45.768   13.363   68.628   9.4535 -22.86052 16.36868 
1 1 1  -48    2   20 o  114.491   6.2753   91.512   9.4575   82.875   11.828  106.819   15.747  107.803   8.0967  121.179   9.5895 -13.37543 12.55052 
1 1 1  -48    2   21 o   77.235   8.0848   45.604   7.8879   47.601   10.026   42.360   12.778   81.168   9.1155   73.302   13.355 7.866066 16.16963 
1 1 1  -48    2   22 o  109.093   6.4711   84.021   9.2978   77.894   11.676   94.639   15.371  104.424   8.2511  113.762   9.9709 -9.338142 12.94215 
1 1 1  -48    2   23 o   44.951   9.3231   15.962   6.0656   18.199   8.8252   13.958   8.3506   47.749   13.198   42.153   13.171 5.596539 18.64615 
1 1 1  -48    2   24 o   66.071   7.8106   32.773   6.7433   39.902   9.7861   26.328   9.3050   73.985   9.7608   58.157   12.196 15.82768 15.62118 
1 1 1  -48    2   25 o   40.538   9.3059   12.460   6.1126   7.5221   8.7088   17.256   8.5816   34.509   13.254   46.568   13.066 -12.05949 18.61186 
1 1 1  -48    2   26 o  100.359   5.9449   72.101   8.0819   69.755   11.414   74.459   11.445   98.637   8.5392  102.081   8.2736 -3.443474 11.88990 
1 1 1  -48    2   27 o   75.931   7.1636   40.660   6.5349   38.821   7.5935   45.909   12.831   74.019   7.5703   77.844   12.164 -3.824730 14.32720 
1 1 1  -48    2   28 o   93.904   7.6614   62.555   9.7494   62.555   9.7494   0.0000   0.0000   93.904   7.6614  ?   ?       ?      ? 
1 1 1  -48    2   29 o   52.264   11.072   20.925   7.5977   20.925   7.5977   0.0000   0.0000   52.264   11.072  ?   ?       ?      ? 
1 1 1  -48    2   30 o  111.323   7.2098   87.487   10.877   87.487   10.877   0.0000   0.0000  111.323   7.2098  ?   ?       ?      ? 
1 1 1  -48    2   31 o   70.392   8.3322   37.660   6.5836   37.621   7.5898   37.778   13.231   72.790   7.6944   67.994   14.782 4.796471 16.66435 
1 1 1  -48    2   32 o  155.066   5.6704  167.152   10.491  162.430   12.173  180.788   20.686  152.696   5.8829  157.437   9.6957 -4.740570 11.34087 
1 1 1  -48    2   33 o  101.213   6.3499   70.813   7.7020   67.294   8.9209   81.116   15.264   97.863   6.7268  104.563   10.772 -6.700966 12.69989 
1 1 1  -48    2   34 o  194.829   4.8400  266.951   12.772  255.568   17.843  278.912   18.290  190.501   6.9118  199.156   6.7771 -8.655624 9.679926 
1 1 1  -48    2   35 o  159.446   4.8346  178.954   10.435  168.801   14.670  189.352   14.847  154.727   6.9967  164.165   6.6739 -9.437378 9.669244 
1 1 1  -48    2   36 o  149.638   4.8384  157.752   9.8050  153.190   13.961  162.193   13.774  147.379   6.9903  151.898   6.6914 -4.518890 9.676774 
1 1 1  -48    2   37 o  138.401   4.9080  135.249   9.1911  129.041   13.128  141.217   12.872  135.099   7.1710  141.702   6.7032 -6.603348 9.816064 
1 1 1  -48    2   38 o   71.131   7.4973   38.122   6.7160   36.968   11.116   38.786   8.4282   68.818   12.375   73.444   8.4683 -4.625519 14.99467 
1 1 1  -48    2   39 o   58.700   8.5472   28.798   6.4221   19.463   10.531   34.324   8.1032   48.428   14.733   68.971   8.6697 -20.54296 17.09439 
1 1 1  -48    2   40 o   53.053   8.0041   21.897   5.6960   16.758   8.1950   26.700   7.9227   45.759   12.744   60.347   9.6881 -14.58775 16.00827 
1 1 1  -48    2   41 o  103.057   7.0504   78.087   8.9768   78.632   16.365   77.852   10.736  101.550   11.892  104.564   7.5766 -3.013992 14.10080 
1 1 1  -48    2   42 o   75.264   8.7275   44.352   7.8388   42.854   14.182   45.011   9.4062   71.726   15.070   78.802   8.8084 -7.075829 17.45508 
1 1 1  -48    2   43 o  159.056   4.9480  178.905   10.653  167.658   14.838  190.871   15.305  153.782   7.1202  164.331   6.8727 -10.54909 9.896028 
1 1 1  -48    2   44 o   84.951   6.0777   52.318   6.9863   50.065   9.9815   54.482   9.7819   82.974   8.8770   86.928   8.3038 -3.954048 12.15548 
1 1 1  -48    2   45 o  120.738   5.2813  103.967   8.6381  104.700   12.395  103.276   12.045  121.081   7.5541  120.394   7.3826 0.6878891 10.56257 
1 1 1  -48    2   46 o   80.784   6.3352   48.079   6.8458   40.799   9.8436   54.899   9.5271   74.245   9.7837   87.323   8.0509 -13.07870 12.67040 
1 1 1  -48    2   47 o   93.776   5.7831   63.800   7.3069   57.766   10.495   69.476   10.180   89.075   8.6941   98.476   7.6281 -9.401009 11.56612 
1 1 1  -48    2   48 o  103.048   6.7441   78.346   9.0299   77.892   11.304   79.145   15.010  103.898   8.0287  102.199   10.838 1.699127 13.48818 
1 1 1  -48    2   49 o   83.801   7.4369   51.592   8.1846   47.438   10.228   58.985   13.646   80.084   9.4249   87.517   11.507 -7.432999 14.87379 
1 1 1  -48    2   50 o  101.048   7.0449   71.402   9.2132   60.327   11.188   94.733   16.239   90.459   9.1269  111.638   10.734 -21.17873 14.08987 
1 1 1  -48    2   51 o  105.903   7.1412   85.485   9.6629   88.398   12.031   80.192   16.219  110.412   8.0411  101.393   11.804 9.019051 14.28248 
1 1 1  -48    2   52 o   82.128   7.8091   49.046   8.3116   42.546   10.131   62.429   14.537   75.205   9.9407   89.052   12.046 -13.84688 15.61812 
1 1 1  -48    2   53 o   36.049   9.6014   9.7356   6.7277   13.387   8.3046   2.7624   11.476   40.215   13.194   31.882   13.952 8.332609 19.20278 
1 1 1  -48    2   54 o   82.080   8.9882   57.031   8.6194   61.881   10.483   46.908   15.145   91.784   8.4278   72.375   15.878 19.40932 17.97638 
1 1 1  -48    2   55 o   49.954   10.533   21.153   7.3118   18.308   8.9008   27.057   12.822   46.201   13.420   53.707   16.239 -7.505844 21.06653 
1 1 1  -48    2   56 o  119.140   7.0678  109.694   10.543  112.829   12.887  103.345   18.336  124.535   7.6359  113.745   11.896 10.78985 14.13558 
1 1 1  -48    2   57 o   74.207   10.253   47.716   10.080   39.327   13.824   57.241   14.730   65.342   15.788   83.072   13.085 -17.73051 20.50528 
1 1 1  -48    2   58 o   70.846   15.798   46.306   14.780   0.0000   0.0000   46.306   14.780  ?   ?    70.846   15.798      ?      ? 
1 1 1  -48    2   59 o   43.793   16.371   18.545   13.077   0.0000   0.0000   18.545   13.077  ?   ?    43.793   16.371      ?      ? 
1 1 1  -48    2   60 o   61.234   16.414   36.737   13.898   0.0000   0.0000   36.737   13.898  ?   ?    61.234   16.414      ?      ? 
1 1 1  -48    2   61 o   67.939   16.339   44.995   14.859   0.0000   0.0000   44.995   14.859  ?   ?    67.939   16.339      ?      ? 
1 1 1  -48    2   62 o  101.873   12.727   88.492   17.569   0.0000   0.0000   88.492   17.569  ?   ?   101.873   12.727      ?      ? 
1 1 1  -48    2   63 o  145.044   11.175  172.231   21.965   0.0000   0.0000  172.231   21.965  ?   ?   145.044   11.175      ?      ? 
1 1 1  -48    3    1 o   63.746   9.8146   30.237   8.4783   30.237   8.4783   0.0000   0.0000   63.746   9.8146  ?   ?       ?      ? 
1 1 1  -48    3    2 o   96.650   7.8706   67.205   10.308   67.205   10.308   0.0000   0.0000   96.650   7.8706  ?   ?       ?      ? 
1 1 1  -48    3    3 o   88.737   8.2507   56.905   9.9215   56.905   9.9215   0.0000   0.0000   88.737   8.2507  ?   ?       ?      ? 
1 1 1  -48    3    4 o   55.375   11.277   23.904   8.1749   23.904   8.1749   0.0000   0.0000   55.375   11.277  ?   ?       ?      ? 
1 1 1  -48    3    5 o   73.152   9.2975   39.213   9.2167   39.213   9.2167   0.0000   0.0000   73.152   9.2975  ?   ?       ?      ? 
1 1 1  -48    3    6 o   46.827   12.371   17.562   7.9676   17.562   7.9676   0.0000   0.0000   46.827   12.371  ?   ?       ?      ? 
1 1 1  -48    3    7 o   96.220   7.9776   66.378   10.402   66.378   10.402   0.0000   0.0000   96.220   7.9776  ?   ?       ?      ? 
1 1 1  -48    3    8 o  123.135   7.3187  107.692   12.212  107.692   12.212   0.0000   0.0000  123.135   7.3187  ?   ?       ?      ? 
1 1 1  -48    3    9 o  106.230   7.6967   80.489   11.080   80.489   11.080   0.0000   0.0000  106.230   7.6967  ?   ?       ?      ? 
1 1 1  -48    3   10 o  106.262   7.7301   80.524   11.131   80.524   11.131   0.0000   0.0000  106.262   7.7301  ?   ?       ?      ? 
1 1 1  -48    3   11 o   84.390   8.5365   51.310   9.7623   51.310   9.7623   0.0000   0.0000   84.390   8.5365  ?   ?       ?      ? 
1 1 1  -48    3   12 o   98.105   8.0274   68.830   10.672   68.830   10.672   0.0000   0.0000   98.105   8.0274  ?   ?       ?      ? 
1 1 1  -48    3   13 o  161.084   4.9032  183.404   10.678  172.905   15.293  193.393   14.916  156.309   7.2197  165.858   6.6364 -9.549561 9.806428 
1 1 1  -48    3   14 o  103.143   5.4734   75.034   7.6103   86.285   11.354   65.857   10.255  110.185   7.6043   96.100   7.8744 14.08450 10.94672 
1 1 1  -48    3   15 o   67.730   6.8952   33.804   6.2710   30.306   9.1222   36.939   8.6349   63.970   10.523   71.489   8.9132 -7.519093 13.79049 
1 1 1  -48    3   16 o  101.213   5.5470   72.998   7.5961   72.490   11.027   73.456   10.479  100.728   8.0781  101.697   7.6039 -0.9688339 11.09398 
1 1 1  -48    3   17 o  188.952   4.9391  251.930   12.629  246.260   18.206  257.190   17.535  186.675   7.1967  191.230   6.7664 -4.555115 9.878148 
1 1 1  -48    3   18 o  110.893   5.4659   87.497   8.1923   86.466   11.978   88.403   11.230  110.073   8.0300  111.714   7.4178 -1.640938 10.93184 
1 1 1  -48    3   19 o  173.795   4.9666  212.954   11.683  213.178   16.947  212.751   16.127  173.710   7.1993  173.879   6.8440 -0.1688843 9.933278 
1 1 1  -48    3   20 o  122.849   5.3973  106.900   8.9747  113.670   13.043  100.814   12.368  126.554   7.6055  119.144   7.6603 7.410179 10.79460 
1 1 1  -48    3   21 o  141.461   5.2275  141.325   10.009  149.023   14.586  134.473   13.760  145.072   7.4195  137.850   7.3660 7.221420 10.45501 
1 1 1  -48    3   22 o  123.246   6.5722  107.331   10.331  118.902   18.274  101.896   12.525  126.740   10.640  119.753   7.7182 6.987335 13.14447 
1 1 1  -48    3   23 o  113.628   6.7670   91.844   9.7537  100.422   17.374   87.897   11.786  116.102   11.043  111.154   7.8247 4.948112 13.53401 
1 1 1  -48    3   24 o  101.331   7.8593   76.834   10.686   74.283   16.060   78.861   14.315   99.083   11.961  103.578   10.198 -4.495453 15.71862 
1 1 1  -48    3   25 o  107.197   6.5426   80.710   9.3217   70.565   11.851   97.168   15.095   98.946   8.8387  115.447   9.6488 -16.50105 13.08520 
1 1 1  -48    3   26 o  146.152   5.4870  147.789   9.6120  143.212   11.172  160.829   18.857  143.461   5.7468  148.844   9.3490 -5.383118 10.97405 
1 1 1  -48    3   27 o  134.842   5.6667  127.311   9.1242  124.679   10.611  134.778   17.873  133.788   5.8527  135.897   9.7052 -2.108627 11.33339 
1 1 1  -48    3   28 o  126.452   6.0627  118.527   9.0116  122.965   10.566  106.678   17.262  132.850   5.8688  120.053   10.611 12.79762 12.12543 
1 1 1  -48    3   29 o  162.607   5.7081  188.501   11.021  188.301   12.842  189.061   21.468  164.474   5.7617  160.741   9.8557 3.733521 11.41628 
1 1 1  -48    3   30 o  113.252   6.2010   92.604   8.3405   92.885   9.7369   91.831   16.164  115.248   6.2345  111.256   10.721 3.992271 12.40200 
1 1 1  -48    3   31 o  190.381   5.6790  253.741   12.833  248.398   14.875  269.292   25.378  188.840   5.8129  191.922   9.7578 -3.081955 11.35800 
1 1 1  -48    3   32 o  101.331   6.6314   72.126   9.1060   72.126   9.1060   0.0000   0.0000  101.331   6.6314  ?   ?       ?      ? 
1 1 1  -48    3   33 o   57.916   11.148   25.703   8.4314   25.703   8.4314   0.0000   0.0000   57.916   11.148  ?   ?       ?      ? 
1 1 1  -48    3   34 o   92.515   7.0322   62.028   8.4218   60.079   10.423   65.693   14.294   91.468   8.4089   93.563   11.274 -2.095581 14.06445 
1 1 1  -48    3   35 o  154.723   6.0752  172.108   12.155  171.439   15.115  173.333   20.448  155.695   7.1637  153.752   9.8141 1.943497 12.15050 
1 1 1  -48    3   36 o   98.695   6.8486   70.572   8.5724   69.177   10.418   73.498   15.085   98.493   7.8055   98.898   11.256 -0.4044495 13.69728 
1 1 1  -48    3   37 o   92.320   5.6629   60.910   7.0778   64.718   10.164   57.325   9.8620   95.197   7.8786   89.443   8.1364 5.754364 11.32585 
1 1 1  -48    3   38 o  111.578   5.2455   88.517   7.9220   86.021   11.368   90.872   11.046  109.897   7.6335  113.260   7.1966 -3.363480 10.49105 
1 1 1  -48    3   39 o   99.475   5.4589   70.620   7.3546   69.932   10.544   71.273   10.264   98.907   7.8665  100.043   7.5709 -1.136650 10.91784 
1 1 1  -48    3   40 o  133.266   5.0042  125.476   9.0207  136.518   13.072  115.436   12.464  138.960   6.9416  127.572   7.2099 11.38827 10.00844 
1 1 1  -48    3   41 o   98.044   5.4980   68.672   7.2974   73.030   10.469   64.554   10.177  101.158   7.6373   94.931   7.9110 6.226212 10.99599 
1 1 1  -48    3   42 o   43.471   8.7889   15.030   5.5209   18.443   7.9286   11.817   7.6921   48.106   12.157   38.836   12.696 9.270226 17.57774 
1 1 1  -48    3   43 o   81.085   7.6812   45.981   7.7966   59.388   14.683   40.716   9.2009   87.508   12.382   74.662   9.0938 12.84620 15.36249 
1 1 1  -48    3   44 o   44.351   10.204   15.173   6.4758   19.644   12.372   13.486   7.6000   47.641   16.116   41.061   12.521 6.579319 20.40819 
1 1 1  -48    3   45 o   95.094   5.7675   65.196   7.4277   67.045   10.739   63.500   10.284   96.336   8.2262   93.852   8.0862 2.483597 11.53502 
1 1 1  -48    3   46 o  109.538   5.4402   86.449   8.0363   80.241   11.629   92.124   11.118  105.392   8.1426  113.685   7.2168 -8.293869 10.88044 
1 1 1  -48    3   47 o   76.476   7.8333   42.772   7.8569   37.698   9.7492   52.174   13.271   70.964   10.138   81.988   11.944 -11.02471 15.66662 
1 1 1  -48    3   48 o   38.831   10.104   11.251   6.7252   9.6515   8.3106   14.286   11.447   35.910   13.117   41.753   15.373 -5.843510 20.20817 
1 1 1  -48    3   49 o   53.359   10.110   22.533   7.2906   17.025   9.0332   32.826   12.348   45.039   13.632   61.679   14.933 -16.63945 20.21936 
1 1 1  -48    3   50 o   78.061   9.6806   45.528   10.240   45.528   10.240   0.0000   0.0000   78.061   9.6806  ?   ?       ?      ? 
1 1 1  -48    3   51 o  106.713   8.1900   82.984   11.844   82.984   11.844   0.0000   0.0000  106.713   8.1900  ?   ?       ?      ? 
1 1 1  -48    3   52 o  114.254   7.0399   98.796   10.307   99.500   12.769   97.480   17.463  116.864   8.0628  111.644   11.543 5.219528 14.07975 
1 1 1  -48    3   53 o   56.791   10.370   27.659   7.7510   25.918   9.5584   31.003   13.245   55.736   12.909   57.846   16.234 -2.110107 20.74101 
1 1 1  -48    3   54 o  103.449   7.4045   82.362   9.7175   82.784   11.930   81.530   16.752  106.135   8.2945  100.763   12.268 5.371506 14.80904 
1 1 1  -48    3   55 f  115.313   8.2742  105.754   12.929  107.316   18.423  104.239   18.148  116.147   11.705  114.479   11.698 1.667847 16.54843 
1 1 1  -48    3   56 o   68.823   11.321   43.805   10.360   43.305   14.651   44.306   14.653   68.306   16.092   69.340   15.929 -1.034111 22.64299 
1 1 1  -48    3   57 o   70.919   11.141   46.366   10.427   46.331   14.934   46.399   14.565   70.596   15.982   71.243   15.526 -0.6461411 22.28152 
1 1 1  -48    3   58 o  103.220   8.9589   88.592   12.189   67.916   16.995  110.495   17.492   88.319   14.200  118.120   10.928 -29.80132 17.91787 
1 1 1  -48    3   59 o   63.801   16.312   39.502   14.158   0.0000   0.0000   39.502   14.158  ?   ?    63.801   16.312      ?      ? 
1 1 1  -48    3   60 o   87.159   13.254   65.297   15.655   0.0000   0.0000   65.297   15.655  ?   ?    87.159   13.254      ?      ? 
1 1 1  -48    3   61 f   75.222   15.247   52.981   15.010   0.0000   0.0000   52.981   15.010  ?   ?    75.222   15.247      ?      ? 
1 1 1  -48    3   62 o  163.025   11.006  216.363   24.315   0.0000   0.0000  216.363   24.315  ?   ?   163.025   11.006      ?      ? 
1 1 1  -48    4    1 o   50.266   12.036   20.397   8.0900   20.397   8.0900   0.0000   0.0000   50.266   12.036  ?   ?       ?      ? 
1 1 1  -48    4    2 o   59.506   10.828   27.478   8.4102   27.478   8.4102   0.0000   0.0000   59.506   10.828  ?   ?       ?      ? 
1 1 1  -48    4    3 o   53.636   11.818   22.906   8.3577   22.906   8.3577   0.0000   0.0000   53.636   11.818  ?   ?       ?      ? 
1 1 1  -48    4    4 o   87.299   8.5174   55.407   10.076   55.407   10.076   0.0000   0.0000   87.299   8.5174  ?   ?       ?      ? 
1 1 1  -48    4    5 o   92.599   8.3002   62.052   10.415   62.052   10.415   0.0000   0.0000   92.599   8.3002  ?   ?       ?      ? 
1 1 1  -48    4    6 o  107.138   7.6638   82.210   11.127   82.210   11.127   0.0000   0.0000  107.138   7.6638  ?   ?       ?      ? 
1 1 1  -48    4    7 o   45.585   12.552   16.765   8.0000   16.765   8.0000   0.0000   0.0000   45.585   12.552  ?   ?       ?      ? 
1 1 1  -48    4    8 o   71.957   9.1868   37.870   8.9583   37.870   8.9583   0.0000   0.0000   71.957   9.1868  ?   ?       ?      ? 
1 1 1  -48    4    9 o   36.402   12.704   9.9750   7.7063   9.9750   7.7063   0.0000   0.0000   36.402   12.704  ?   ?       ?      ? 
1 1 1  -48    4   10 o   76.771   8.9282   42.853   9.2884   42.853   9.2884   0.0000   0.0000   76.771   8.9282  ?   ?       ?      ? 
1 1 1  -48    4   11 o  108.199   7.9065   83.817   11.593   83.817   11.593   0.0000   0.0000  108.199   7.9065  ?   ?       ?      ? 
1 1 1  -48    4   12 o  118.754   7.7644  100.720   12.495  100.720   12.495   0.0000   0.0000  118.754   7.7644  ?   ?       ?      ? 
1 1 1  -48    4   13 o  174.543   10.475  226.542   24.777  226.542   24.777   0.0000   0.0000  174.543   10.475  ?   ?       ?      ? 
1 1 1  -48    4   14 o  121.345   11.536  111.458   18.970  111.458   18.970   0.0000   0.0000  121.345   11.536  ?   ?       ?      ? 
1 1 1  -48    4   15 o  123.920   11.180  115.412   18.775  115.412   18.775   0.0000   0.0000  123.920   11.180  ?   ?       ?      ? 
1 1 1  -48    4   16 o  108.535   11.526   89.020   16.953   89.020   16.953   0.0000   0.0000  108.535   11.526  ?   ?       ?      ? 
1 1 1  -48    4   17 o  125.766   7.6924  112.643   13.110  112.643   13.110   0.0000   0.0000  125.766   7.6924  ?   ?       ?      ? 
1 1 1  -48    4   18 o   98.031   5.7796   69.700   7.5632   59.087   10.999   79.217   10.416   90.305   8.9882  105.756   7.2682 -15.45103 11.55916 
1 1 1  -48    4   19 o  214.208   4.9694  324.447   14.400  314.271   20.755  333.891   19.996  210.660   7.2706  217.755   6.7762 -7.095291 9.938728 
1 1 1  -48    4   20 o   42.447   8.6211   13.978   5.8118   5.5208   8.4071   21.718   8.0432   32.021   12.803   52.874   11.549 -20.85249 17.24227 
1 1 1  -48    4   21 o   54.602   8.5877   23.406   6.1786   23.341   9.0676   23.463   8.4416   54.273   12.575   54.931   11.699 -0.6572189 17.17547 
1 1 1  -48    4   22 o   40.534   9.1941   12.874   5.8058   10.285   8.4257   15.215   8.0111   37.313   13.261   43.756   12.738 -6.443310 18.38826 
1 1 1  -48    4   23 o   56.660   8.5885   25.288   6.4032   21.980   9.1652   28.442   8.9495   52.414   12.973   60.906   11.258 -8.491203 17.17696 
1 1 1  -48    4   24 o   50.889   9.9174   21.439   7.0127   22.698   8.9277   19.411   11.332   53.540   12.527   48.238   15.378 5.302578 19.83485 
1 1 1  -48    4   25 f   60.562   8.5355   28.897   5.9458   29.534   6.8706   26.997   11.866   64.352   7.8786   56.772   15.144 7.579800 17.07104 
1 1 1  -48    4   26 o   66.991   7.2761   28.194   5.8997   22.850   6.7453   45.589   12.169   56.234   8.8516   77.748   11.550 -21.51386 14.55214 
1 1 1  -48    4   27 o   50.201   9.8695   19.554   7.1046   13.087   9.2651   28.783   11.069   40.920   13.945   59.482   13.970 -18.56124 19.73903 
1 1 1  -48    4   28 o   40.430   10.770   9.2341   8.0858   20.991   13.557   2.7422   10.074   49.501   16.869   31.360   13.393 18.14071 21.53912 
1 1 1  -48    4   29 o  218.052   5.8912  332.827   16.582  314.302   20.328  369.670   28.668  210.864   7.1140  225.241   9.3923 -14.37660 11.78234 
1 1 1  -48    4   30 o  102.591   6.5853   76.620   8.6502   76.682   10.663   76.500   14.793  103.854   7.5767  101.329   10.773 2.525307 13.17066 
1 1 1  -48    4   31 o  119.298   5.8840  101.290   8.4667  100.219   9.9327  104.135   16.192  119.697   6.1235  118.900   10.049 0.7974930 11.76801 
1 1 1  -48    4   32 f   92.980   6.4975   60.597   7.3430   57.789   8.5865   68.242   14.167   90.446   7.0056   95.514   10.945 -5.068428 12.99503 
1 1 1  -48    4   33 o  130.454   5.6431  113.400   8.9640  103.606   10.403  141.637   17.664  121.556   6.3154  139.352   9.3539 -17.79591 11.28629 
1 1 1  -48    4   34 o  109.229   6.4441   83.796   9.5386   83.796   9.5386   0.0000   0.0000  109.229   6.4441  ?   ?       ?      ? 
1 1 1  -48    4   35 o  170.979   5.8417  204.085   13.535  204.085   13.535   0.0000   0.0000  170.979   5.8417  ?   ?       ?      ? 
1 1 1  -48    4   36 o  128.914   5.7465  112.156   9.0151  103.693   10.480  136.234   17.677  121.520   6.3642  136.308   9.5700 -14.78768 11.49298 
1 1 1  -48    4   37 o  111.369   6.1225   88.863   8.3231   87.713   9.8357   91.765   15.620  111.659   6.5002  111.079   10.377 0.5792999 12.24490 
1 1 1  -48    4   38 o   71.514   7.9714   39.110   6.7296   39.290   7.9961   38.674   12.460   74.022   7.9714   69.005   13.807 5.017715 15.94288 
1 1 1  -48    4   39 o   49.915   8.5144   19.894   5.6980   18.201   8.3657   21.359   7.7824   47.490   12.737   52.340   11.303 -4.850262 17.02886 
1 1 1  -48    4   40 o   69.013   7.1418   36.519   6.2347   26.003   8.9193   46.566   8.7186   57.509   11.839   80.516   7.9907 -23.00649 14.28362 
1 1 1  -48    4   41 o   71.762   6.4865   37.443   6.2832   42.242   9.2945   33.405   8.5266   76.057   9.0179   67.467   9.3262 8.590614 12.97304 
1 1 1  -48    4   42 o  117.061   5.2997   98.092   8.3849   94.705   12.161  101.162   11.577  114.869   7.8123  119.253   7.1637 -4.383514 10.59950 
1 1 1  -48    4   43 o   83.043   7.4677   51.439   8.0897   50.256   10.140   53.511   13.417   82.848   9.0317   83.238   11.895 -0.3898087 14.93532 
1 1 1  -48    4   44 f   95.543   6.9759   67.780   8.6560   67.512   10.839   68.252   14.383   96.540   8.2848   94.547   11.226 1.992546 13.95184 
1 1 1  -48    4   45 o   73.127   9.8661   43.117   9.5239   53.355   14.460   35.272   12.657   81.888   13.030   64.367   14.818 17.52107 19.73211 
1 1 1  -48    4   46 o   51.951   11.008   24.110   8.5876   18.566   12.605   28.913   11.732   45.989   16.233   57.913   14.871 -11.92449 22.01536 
1 1 1  -48    4   47 o   69.742   8.9054   40.533   7.6590   44.699   9.5845   33.174   12.739   77.852   9.0849   61.632   15.320 16.22003 17.81077 
1 1 1  -48    4   48 o  138.011   6.2186  138.281   11.124  134.097   13.792  146.070   18.817  136.583   7.4514  139.440   9.9580 -2.856293 12.43728 
1 1 1  -48    4   49 o   62.551   9.3105   30.768   7.4333   25.747   9.2676   39.825   12.447   56.117   12.506   68.985   13.796 -12.86800 18.62103 
1 1 1  -48    4   50 o   52.638   10.217   23.449   7.3086   21.140   9.1749   27.457   12.090   50.033   13.303   55.244   15.512 -5.211700 20.43478 
1 1 1  -48    4   51 o   93.228   12.602   69.979   15.921   69.979   15.921   0.0000   0.0000   93.228   12.602  ?   ?       ?      ? 
1 1 1  -48    4   52 o   63.698   16.268   37.490   14.092   37.490   14.092   0.0000   0.0000   63.698   16.268  ?   ?       ?      ? 
1 1 1  -48    4   53 o  107.748   8.4009   92.667   12.255   91.236   17.588   94.018   17.084  106.517   12.185  108.978   11.568 -2.461014 16.80172 
1 1 1  -48    4   54 o   68.346   11.269   42.972   10.240   43.529   14.752   42.453   14.225   68.522   16.151   68.171   15.719 0.3511276 22.53762 
1 1 1  -48    4   55 o   32.982   9.9966   3.6494   8.3990  -4.3891   11.784   11.951   11.975   27.624   12.874   38.340   15.297 -10.71650 19.99326 
1 1 1  -48    4   56 o   72.503   10.972   48.491   10.464   43.073   15.038   53.577   14.569   66.850   16.659   78.156   14.282 -11.30589 21.94340 
1 1 1  -48    4   57 o   79.626   10.279   56.407   10.733   46.701   15.104   66.306   15.253   70.032   16.232   89.221   12.616 -19.18908 20.55844 
1 1 1  -48    4   58 o   60.578   11.835   36.869   10.078   34.377   14.527   39.180   13.993   57.655   17.251   63.502   16.206 -5.846924 23.66963 
1 1 1  -48    4   59 o   58.660   10.930   33.783   9.8589   17.242   13.697   51.569   14.202   41.749   16.453   75.570   14.394 -33.82113 21.86076 
1 1 1  -48    4   60 o   48.405   17.002   25.292   13.814   0.0000   0.0000   25.292   13.814  ?   ?    48.405   17.002      ?      ? 
1 1 1  -48    4   61 o  113.075   12.291  108.736   18.834   0.0000   0.0000  108.736   18.834  ?   ?   113.075   12.291      ?      ? 
1 1 1  -48    5    1 o   79.634   9.1733   47.101   9.8993   47.101   9.8993   0.0000   0.0000   79.634   9.1733  ?   ?       ?      ? 
1 1 1  -48    5    2 o   98.248   8.1055   70.204   10.792   70.204   10.792   0.0000   0.0000   98.248   8.1055  ?   ?       ?      ? 
1 1 1  -48    5    3 o   56.448   11.761   25.458   8.7046   25.458   8.7046   0.0000   0.0000   56.448   11.761  ?   ?       ?      ? 
1 1 1  -48    5    4 o  106.030   7.8878   81.254   11.334   81.254   11.334   0.0000   0.0000  106.030   7.8878  ?   ?       ?      ? 
1 1 1  -48    5    5 o  129.944   7.3948  120.988   13.022  120.988   13.022   0.0000   0.0000  129.944   7.3948  ?   ?       ?      ? 
1 1 1  -48    5    6 o   96.106   8.1549   66.880   10.621   66.880   10.621   0.0000   0.0000   96.106   8.1549  ?   ?       ?      ? 
1 1 1  -48    5    7 o   68.315   9.6430   34.607   8.9270   34.607   8.9270   0.0000   0.0000   68.315   9.6430  ?   ?       ?      ? 
1 1 1  -48    5    8 o  133.383   7.3043  126.974   13.203  126.974   13.203   0.0000   0.0000  133.383   7.3043  ?   ?       ?      ? 
1 1 1  -48    5    9 o  102.018   7.8746   74.827   10.886   74.827   10.886   0.0000   0.0000  102.018   7.8746  ?   ?       ?      ? 
1 1 1  -48    5   10 o   32.280   12.451   6.6491   7.7095   6.6491   7.7095   0.0000   0.0000   32.280   12.451  ?   ?       ?      ? 
1 1 1  -48    5   11 o   76.736   9.0195   43.014   9.3792   43.014   9.3792   0.0000   0.0000   76.736   9.0195  ?   ?       ?      ? 
1 1 1  -48    5   12 o   57.028   11.556   25.443   8.6247   25.443   8.6247   0.0000   0.0000   57.028   11.556  ?   ?       ?      ? 
1 1 1  -48    5   13 o   82.773   8.7094   49.731   9.7692   49.731   9.7692   0.0000   0.0000   82.773   8.7094  ?   ?       ?      ? 
1 1 1  -48    5   14 o   51.315   12.325   21.023   8.4634   21.023   8.4634   0.0000   0.0000   51.315   12.325  ?   ?       ?      ? 
1 1 1  -48    5   15 o   52.500   12.345   21.971   8.6348   21.971   8.6348   0.0000   0.0000   52.500   12.345  ?   ?       ?      ? 
1 1 1  -48    5   16 o  156.010   7.1637  172.668   15.145  172.668   15.145   0.0000   0.0000  156.010   7.1637  ?   ?       ?      ? 
1 1 1  -48    5   17 o   79.925   9.1145   46.557   9.8718   46.557   9.8718   0.0000   0.0000   79.925   9.1145  ?   ?       ?      ? 
1 1 1  -48    5   18 o  100.221   8.1199   72.119   11.028   72.119   11.028   0.0000   0.0000  100.221   8.1199  ?   ?       ?      ? 
1 1 1  -48    5   19 o   44.408   13.190   15.931   8.5153   15.931   8.5153   0.0000   0.0000   44.408   13.190  ?   ?       ?      ? 
1 1 1  -48    5   20 o  127.337   11.000  121.802   18.982  121.802   18.982   0.0000   0.0000  127.337   11.000  ?   ?       ?      ? 
1 1 1  -48    5   21 o   57.164   16.550   28.647   13.556   28.647   13.556   0.0000   0.0000   57.164   16.550  ?   ?       ?      ? 
1 1 1  -48    5   22 o  105.695   12.256   85.855   17.555   85.855   17.555   0.0000   0.0000  105.695   12.256  ?   ?       ?      ? 
1 1 1  -48    5   23 o   37.718   10.294   9.7030   7.6602   4.3311   12.366   13.048   9.7579   34.638   14.817   40.799   14.292 -6.161510 20.58706 
1 1 1  -48    5   24 o  119.745   5.7315  101.286   8.2672   99.433   9.6715  106.314   15.930  119.250   5.9848  120.241   9.7766 -0.9901352 11.46301 
1 1 1  -48    5   25 o   43.659   8.8111   16.120   5.3976   18.106   6.2742   10.464   10.588   48.938   9.8025   38.380   14.644 10.55806 17.62215 
1 1 1  -48    5   26 f  125.254   5.6793  108.557   8.5752  104.060   9.9808  121.235   16.759  121.955   6.0392  128.553   9.6201 -6.597771 11.35866 
1 1 1  -48    5   27 o   42.872   9.0396   15.125   5.4792   16.396   6.4049   11.654   10.581   46.198   10.472   39.546   14.737 6.651505 18.07914 
1 1 1  -48    5   28 o  133.341   5.6652  124.721   9.0664  121.623   10.566  133.370   17.653  131.924   5.9105  134.759   9.6667 -2.834518 11.33044 
1 1 1  -48    5   29 o   47.178   8.8301   13.774   5.4895   7.9880   6.3850   30.169   10.748   33.210   11.565   61.146   13.346 -27.93612 17.66018 
1 1 1  -48    5   30 o  108.998   6.6396   85.834   9.6435   81.112   12.423   92.993   15.297  105.878   8.6585  112.119   10.068 -6.241379 13.27915 
1 1 1  -48    5   31 f   76.628   6.8953   41.314   6.4890   38.780   7.6187   48.008   12.384   73.727   7.6255   79.529   11.490 -5.802704 13.79051 
1 1 1  -48    5   32 o  159.416   5.5527  181.490   10.701  181.035   12.594  182.672   20.290  161.018   5.7719  157.814   9.4877 3.203827 11.10546 
1 1 1  -48    5   33 o   84.035   6.4348   49.189   6.6477   46.120   7.8055   57.295   12.685   80.625   7.1441   87.446   10.705 -6.821106 12.86954 
1 1 1  -48    5   34 o   66.308   7.9433   33.285   6.3229   32.782   7.5421   34.474   11.599   67.451   8.2512   65.164   13.576 2.287941 15.88658 
1 1 1  -48    5   35 o   82.832   6.7230   47.913   6.9267   44.267   8.1818   57.136   13.015   78.681   7.6736   86.982   11.041 -8.300697 13.44594 
1 1 1  -48    5   36 o   64.148   8.6747   29.874   7.5409   29.874   7.5409   0.0000   0.0000   64.148   8.6747  ?   ?       ?      ? 
1 1 1  -48    5   37 o   77.755   7.7098   43.303   8.1237   43.303   8.1237   0.0000   0.0000   77.755   7.7098  ?   ?       ?      ? 
1 1 1  -48    5   38 o   51.473   8.7857   23.150   6.1114   27.054   7.3386   14.315   11.039   60.890   8.8936   42.055   15.154 18.83508 17.57140 
1 1 1  -48    5   39 o   94.540   8.3651   64.737   10.717   64.737   10.717   0.0000   0.0000   94.540   8.3651  ?   ?       ?      ? 
1 1 1  -48    5   40 o  125.017   6.2258  111.894   10.229  105.298   12.836  123.372   16.932  121.010   7.8272  129.023   9.6839 -8.012672 12.45161 
1 1 1  -48    5   41 o   71.323   8.3710   39.921   7.5999   40.762   9.6833   38.571   12.264   74.144   9.6375   68.503   13.690 5.640327 16.74209 
1 1 1  -48    5   42 o   74.512   7.9512   40.821   7.6771   32.495   9.7259   54.584   12.504   64.312   11.586   84.712   10.893 -20.40005 15.90231 
1 1 1  -48    5   43 o  121.812   6.2877  106.871   10.049  100.969   12.591  117.228   16.680  118.295   7.8544  125.330   9.8209 -7.035812 12.57539 
1 1 1  -48    5   44 o  121.102   6.4143  105.947   10.123  100.288   12.571  116.382   17.072  117.807   7.8744  124.397   10.128 -6.589897 12.82858 
1 1 1  -48    5   45 o   70.256   8.5770   35.967   7.6908   26.920   9.4502   53.710   13.235   57.548   12.478   82.965   11.772 -25.41697 17.15406 
1 1 1  -48    5   46 o   68.317   10.085   41.749   9.7679   18.076   13.938   64.600   13.693   45.022   16.887   91.611   11.030 -46.58828 20.17026 
1 1 1  -48    5   47 o   77.076   10.273   50.402   10.394   49.385   15.703   51.195   13.867   74.415   16.044   79.737   12.833 -5.321625 20.54524 
1 1 1  -48    5   48 o   53.612   11.157   26.236   8.9120   19.474   12.514   33.193   12.694   46.193   16.186   61.030   15.361 -14.83649 22.31424 
1 1 1  -48    5   49 o  212.964   7.4056  347.892   21.316  319.735   29.953  376.785   30.342  203.260   10.874  222.668   10.056 -19.40752 14.81116 
1 1 1  -48    5   50 o   73.682   10.578   47.560   10.187   48.595   14.850   46.640   14.001   74.060   15.303   73.305   14.607 0.7551956 21.15527 
1 1 1  -48    5   51 o   98.039   9.3627   80.349   11.547   57.236   16.249  103.930   16.413   79.997   15.549  116.081   10.434 -36.08423 18.72541 
1 1 1  -48    5   52 o   43.148   11.276   16.300   9.2385   24.627   13.101   8.0649   13.029   50.332   16.574   35.964   15.293 14.36784 22.55164 
1 1 1  -48    5   53 o   88.665   13.358   66.100   16.050   66.100   16.050   0.0000   0.0000   88.665   13.358  ?   ?       ?      ? 
1 1 1  -48    5   54 o  101.338   8.8047   84.750   12.046   78.762   17.172   90.552   16.903   96.874   13.080  105.802   11.790 -8.928146 17.60939 
1 1 1  -48    5   55 o   44.783   11.266   18.741   9.1163   10.279   12.676   27.809   13.121   36.801   15.330   52.766   16.514 -15.96448 22.53230 
1 1 1  -48    5   56 o   51.240   11.963   27.158   9.6716   29.103   13.715   25.234   13.640   53.160   16.916   49.320   16.920 3.839993 23.92504 
1 1 1  -48    5   57 o   56.709   11.928   33.127   9.8478   33.924   13.931   32.332   13.923   57.544   16.811   55.875   16.927 1.669266 23.85653 
1 1 1  -48    5   58 o   67.507   11.581   45.163   10.515   40.567   14.607   50.104   15.147   63.061   16.794   71.954   15.953 -8.893154 23.16286 
1 1 1  -48    5   59 o   46.842   11.236   22.339   9.4658   33.932   13.296   10.423   13.479   57.549   16.305   36.135   15.464 21.41388 22.47230 
1 1 1  -48    6    1 o   67.710   9.8883   34.838   9.0731   34.838   9.0731   0.0000   0.0000   67.710   9.8883  ?   ?       ?      ? 
1 1 1  -48    6    2 o   24.154   10.824  -1.0638   7.3201  -1.0638   7.3201   0.0000   0.0000   24.154   10.824  ?   ?       ?      ? 
1 1 1  -48    6    3 o   65.516   10.048   32.567   8.9210   32.567   8.9210   0.0000   0.0000   65.516   10.048  ?   ?       ?      ? 
1 1 1  -48    6    4 o   71.468   14.529   43.788   13.592   43.788   13.592   0.0000   0.0000   71.468   14.529  ?   ?       ?      ? 
1 1 1  -48    6    5 o   41.851   15.370   14.843   11.433   14.843   11.433   0.0000   0.0000   41.851   15.370  ?   ?       ?      ? 
1 1 1  -48    6    6 o   49.409   15.788   22.006   11.938   22.006   11.938   0.0000   0.0000   49.409   15.788  ?   ?       ?      ? 
1 1 1  -48    6    7 o  112.613   11.160   97.674   17.031   97.674   17.031   0.0000   0.0000  112.613   11.160  ?   ?       ?      ? 
1 1 1  -48    6    8 o   42.581   15.310   15.297   11.262   15.297   11.262   0.0000   0.0000   42.581   15.310  ?   ?       ?      ? 
1 1 1  -48    6    9 o   79.981   12.654   50.724   13.715   50.724   13.715   0.0000   0.0000   79.981   12.654  ?   ?       ?      ? 
1 1 1  -48    6   10 o  116.254   10.808  102.791   17.027  102.791   17.027   0.0000   0.0000  116.254   10.808  ?   ?       ?      ? 
1 1 1  -48    6   11 o   93.162   11.503   66.863   14.523   66.863   14.523   0.0000   0.0000   93.162   11.503  ?   ?       ?      ? 
1 1 1  -48    6   12 o   58.946   15.049   29.938   12.063   29.938   12.063   0.0000   0.0000   58.946   15.049  ?   ?       ?      ? 
1 1 1  -48    6   13 o   97.758   8.4414   69.419   11.183   69.419   11.183   0.0000   0.0000   97.758   8.4414  ?   ?       ?      ? 
1 1 1  -48    6   14 o  100.022   8.1766   72.325   11.083   72.325   11.083   0.0000   0.0000  100.022   8.1766  ?   ?       ?      ? 
1 1 1  -48    6   15 f  108.860   8.0213   85.423   11.833   85.423   11.833   0.0000   0.0000  108.860   8.0213  ?   ?       ?      ? 
1 1 1  -48    6   16 o   87.928   8.6992   56.288   10.365   56.288   10.365   0.0000   0.0000   87.928   8.6992  ?   ?       ?      ? 
1 1 1  -48    6   17 o  107.732   8.0304   83.598   11.724   83.598   11.724   0.0000   0.0000  107.732   8.0304  ?   ?       ?      ? 
1 1 1  -48    6   18 o   59.769   11.698   28.042   9.1360   28.042   9.1360   0.0000   0.0000   59.769   11.698  ?   ?       ?      ? 
1 1 1  -48    6   19 o   53.444   12.285   22.840   8.7108   22.840   8.7108   0.0000   0.0000   53.444   12.285  ?   ?       ?      ? 
1 1 1  -48    6   20 o   57.940   11.735   26.388   8.8984   26.388   8.8984   0.0000   0.0000   57.940   11.735  ?   ?       ?      ? 
1 1 1  -48    6   21 o   56.784   12.567   25.852   9.4149   25.852   9.4149   0.0000   0.0000   56.784   12.567  ?   ?       ?      ? 
1 1 1  -48    6   22 o  131.420   7.6920  123.656   13.699  123.656   13.699   0.0000   0.0000  131.420   7.6920  ?   ?       ?      ? 
1 1 1  -48    6   23 o   32.689   12.997   6.2735   8.6162   6.2735   8.6162   0.0000   0.0000   32.689   12.997  ?   ?       ?      ? 
1 1 1  -48    6   24 o   21.383   10.084  -6.6329   7.5999  -6.6329   7.5999   0.0000   0.0000   21.383   10.084  ?   ?       ?      ? 
1 1 1  -48    6   25 o   48.581   13.055   19.253   8.7784   19.253   8.7784   0.0000   0.0000   48.581   13.055  ?   ?       ?      ? 
1 1 1  -48    6   26 o  117.408   8.1241   99.305   12.926   99.305   12.926   0.0000   0.0000  117.408   8.1241  ?   ?       ?      ? 
1 1 1  -48    6   27 o   57.719   12.593   26.704   9.5730   26.704   9.5730   0.0000   0.0000   57.719   12.593  ?   ?       ?      ? 
1 1 1  -48    6   28 o   45.396   10.325   17.447   7.2505   19.128   9.2768   14.808   11.623   48.098   13.617   42.694   15.525 5.403622 20.65037 
1 1 1  -48    6   29 o   47.881   8.6100   19.941   5.6189   22.859   6.5687   11.980   10.848   56.094   8.6414   39.669   14.895 16.42511 17.21991 
1 1 1  -48    6   30 o   65.971   8.1616   33.288   6.2131   32.901   7.2353   34.376   12.124   67.666   7.8904   64.277   14.290 3.389610 16.32328 
1 1 1  -48    6   31 o  127.845   5.5590  107.948   8.6605   96.873   10.031  140.381   17.166  117.309   6.3098  138.381   9.1541 -21.07124 11.11799 
1 1 1  -48    6   32 o   81.732   7.5827   49.249   8.2901   43.373   10.724   57.975   13.068   76.055   10.405   87.409   11.033 -11.35387 15.16540 
1 1 1  -48    6   33 o  113.923   6.0017   93.458   8.2843   92.533   9.7539   95.855   15.694  114.640   6.2786  113.205   10.230 1.434349 12.00332 
1 1 1  -48    6   34 o  109.936   6.1524   83.401   8.8131   71.992   10.810  106.022   15.220   99.939   7.9816  119.933   9.3649 -19.99456 12.30481 
1 1 1  -48    6   35 o  105.451   6.3193   78.879   8.7168   72.103   10.814   91.453   14.730   99.987   7.9807  110.915   9.8001 -10.92852 12.63859 
1 1 1  -48    6   36 o   55.611   9.4159   25.118   6.7749   24.159   8.4112   26.888   11.431   55.279   11.598   55.942   14.836 -0.6631317 18.83184 
1 1 1  -48    6   37 o   97.298   6.6423   65.805   8.4171   55.572   10.308   86.285   14.582   87.193   8.7236  107.403   10.019 -20.21027 13.28457 
1 1 1  -48    6   38 o  111.032   7.7800   88.835   11.706   88.835   11.706   0.0000   0.0000  111.032   7.7800  ?   ?       ?      ? 
1 1 1  -48    6   39 o   81.928   9.0795   49.469   10.080   49.469   10.080   0.0000   0.0000   81.928   9.0795  ?   ?       ?      ? 
1 1 1  -48    6   40 o   42.266   9.9454   15.245   6.8417   17.914   8.6259   10.717   11.234   46.387   13.130   38.145   14.942 8.242794 19.89090 
1 1 1  -48    6   41 o  108.817   7.6763   90.550   11.238  103.868   16.159   78.074   15.641  117.337   10.162  100.298   11.508 17.03919 15.35258 
1 1 1  -48    6   42 f   84.618   8.4823   56.365   9.7088   57.616   13.469   55.012   14.007   86.019   11.555   83.217   12.421 2.802048 16.96465 
1 1 1  -48    6   43 o   57.723   9.5707   27.149   7.0779   24.942   8.7258   31.394   12.102   55.583   11.941   59.863   14.960 -4.280170 19.14143 
1 1 1  -48    6   44 o   85.630   8.6413   58.306   10.026   58.445   14.081   58.163   14.279   85.856   12.102   85.405   12.338 0.4513397 17.28264 
1 1 1  -48    6   45 o   48.739   11.307   21.868   8.6300   23.090   12.327   20.694   12.085   49.966   16.051   47.513   15.928 2.452137 22.61329 
1 1 1  -48    6   46 o   36.378   10.451   9.1442   8.1243   6.7427   11.953   11.206   11.076   34.784   14.712   37.971   14.846 -3.187592 20.90127 
1 1 1  -48    6   47 o   88.932   8.8985   63.832   10.694   70.534   15.689   58.016   14.615   93.506   12.381   84.358   12.784 9.147903 17.79700 
1 1 1  -48    6   48 o   47.491   16.079   21.254   12.316   0.0000   0.0000   21.254   12.316  ?   ?    47.491   16.079      ?      ? 
1 1 1  -48    6   49 o  107.249   8.3966   92.505   12.099   80.565   17.088  104.505   17.132   99.038   12.733  115.461   10.949 -16.42298 16.79317 
1 1 1  -48    6   50 o   41.134   11.056   15.006   8.6324   18.295   12.047   11.534   12.376   44.171   15.840   38.096   15.427 6.074974 22.11106 
1 1 1  -48    6   51 o   31.024   9.5390  -1.9745   8.3011 -15.2137   11.346   13.277   12.177   22.736   11.113   39.312   15.507 -16.57626 19.07794 
1 1 1  -48    6   52 o   49.287   11.818   24.513   9.4248   23.118   13.348   25.899   13.309   47.880   16.720   50.693   16.706 -2.813431 23.63548 
1 1 1  -48    6   53 o   26.283   12.352  -5.3104   11.230  -5.3104   11.230   0.0000   0.0000   26.283   12.352  ?   ?       ?      ? 
1 1 1  -48    6   54 o   57.325   16.332   32.751   13.302   32.751   13.302   0.0000   0.0000   57.325   16.332  ?   ?       ?      ? 
1 1 1  -48    6   55 o   43.888   11.530   19.653   9.1437   19.919   12.428   19.338   13.500   44.362   16.066   43.415   16.543 0.9478035 23.06013 
1 1 1  -48    6   56 o   45.413   11.647   21.637   9.2266   20.197   12.632   23.285   13.510   44.210   16.168   46.617   16.768 -2.406799 23.29305 
1 1 1  -48    6   57 o   59.310   12.185   37.873   10.413   40.130   14.564   35.513   14.893   61.950   16.886   56.669   17.570 5.280720 24.36929 
1 1 1  -48    7    1 o   72.809   9.6219   40.495   9.4936   40.495   9.4936   0.0000   0.0000   72.809   9.6219  ?   ?       ?      ? 
1 1 1  -48    7    2 f   45.466   12.705   17.671   8.1309   17.671   8.1309   0.0000   0.0000   45.466   12.705  ?   ?       ?      ? 
1 1 1  -48    7    3 o   80.357   8.7731   48.168   9.5534   48.168   9.5534   0.0000   0.0000   80.357   8.7731  ?   ?       ?      ? 
1 1 1  -48    7    4 o   80.787   8.8835   48.698   9.7254   48.698   9.7254   0.0000   0.0000   80.787   8.8835  ?   ?       ?      ? 
1 1 1  -48    7    5 o   75.051   9.2319   42.251   9.3892   42.251   9.3892   0.0000   0.0000   75.051   9.2319  ?   ?       ?      ? 
1 1 1  -48    7    6 o   59.578   11.152   28.256   8.6730   28.256   8.6730   0.0000   0.0000   59.578   11.152  ?   ?       ?      ? 
1 1 1  -48    7    7 o   29.245   11.957   4.4625   7.5214   4.4625   7.5214   0.0000   0.0000   29.245   11.957  ?   ?       ?      ? 
1 1 1  -48    7    8 o   29.442   12.021   4.5469   7.5895   4.5469   7.5895   0.0000   0.0000   29.442   12.021  ?   ?       ?      ? 
1 1 1  -48    7    9 o   61.179   11.201   29.615   8.9444   29.615   8.9444   0.0000   0.0000   61.179   11.201  ?   ?       ?      ? 
1 1 1  -48    7   10 o   29.874   12.134   4.8100   7.6820   4.8100   7.6820   0.0000   0.0000   29.874   12.134  ?   ?       ?      ? 
1 1 1  -48    7   11 o   87.072   8.6733   55.761   10.234   55.761   10.234   0.0000   0.0000   87.072   8.6733  ?   ?       ?      ? 
1 1 1  -48    7   12 o   97.156   8.3990   69.019   11.058   69.019   11.058   0.0000   0.0000   97.156   8.3990  ?   ?       ?      ? 
1 1 1  -48    7   13 o   68.905   10.093   35.804   9.4240   35.804   9.4240   0.0000   0.0000   68.905   10.093  ?   ?       ?      ? 
1 1 1  -48    7   14 o   96.879   8.4533   68.581   11.098   68.581   11.098   0.0000   0.0000   96.879   8.4533  ?   ?       ?      ? 
1 1 1  -48    7   15 o   86.481   8.7756   54.918   10.284   54.918   10.284   0.0000   0.0000   86.481   8.7756  ?   ?       ?      ? 
1 1 1  -48    7   16 o   87.330   8.9619   56.150   10.606   56.150   10.606   0.0000   0.0000   87.330   8.9619  ?   ?       ?      ? 
1 1 1  -48    7   17 o  112.404   7.9387   91.384   12.093   91.384   12.093   0.0000   0.0000  112.404   7.9387  ?   ?       ?      ? 
1 1 1  -48    7   18 o   73.279   10.001   40.254   9.9313   40.254   9.9313   0.0000   0.0000   73.279   10.001  ?   ?       ?      ? 
1 1 1  -48    7   19 o   65.126   10.624   32.169   9.3759   32.169   9.3759   0.0000   0.0000   65.126   10.624  ?   ?       ?      ? 
1 1 1  -48    7   20 o   93.389   8.6532   63.754   10.951   63.754   10.951   0.0000   0.0000   93.389   8.6532  ?   ?       ?      ? 
1 1 1  -48    7   21 o   69.325   10.482   36.318   9.8469   36.318   9.8469   0.0000   0.0000   69.325   10.482  ?   ?       ?      ? 
1 1 1  -48    7   22 o  107.928   8.1766   84.451   11.959   84.451   11.959   0.0000   0.0000  107.928   8.1766  ?   ?       ?      ? 
1 1 1  -48    7   23 o   33.016   12.915   7.0150   8.3840   7.0150   8.3840   0.0000   0.0000   33.016   12.915  ?   ?       ?      ? 
1 1 1  -48    7   24 o   81.017   9.4825   48.654   10.411   48.654   10.411   0.0000   0.0000   81.017   9.4825  ?   ?       ?      ? 
1 1 1  -48    7   25 o   46.118   13.327   17.689   8.7980   17.689   8.7980   0.0000   0.0000   46.118   13.327  ?   ?       ?      ? 
1 1 1  -48    7   26 o  112.069   8.1602   91.032   12.393   91.032   12.393   0.0000   0.0000  112.069   8.1602  ?   ?       ?      ? 
1 1 1  -48    7   27 o   87.364   13.059   60.973   15.460   60.973   15.460   0.0000   0.0000   87.364   13.059  ?   ?       ?      ? 
1 1 1  -48    7   28 o   88.226   12.909   61.997   15.433   61.997   15.433   0.0000   0.0000   88.226   12.909  ?   ?       ?      ? 
1 1 1  -48    7   29 f   90.481   13.015   65.412   15.959   65.412   15.959   0.0000   0.0000   90.481   13.015  ?   ?       ?      ? 
1 1 1  -48    7   30 o   60.657   16.012   32.822   13.355   32.822   13.355   0.0000   0.0000   60.657   16.012  ?   ?       ?      ? 
1 1 1  -48    7   31 o   97.255   12.276   74.427   16.179   74.427   16.179   0.0000   0.0000   97.255   12.276  ?   ?       ?      ? 
1 1 1  -48    7   32 o  101.337   12.055   80.484   16.554   80.484   16.554   0.0000   0.0000  101.337   12.055  ?   ?       ?      ? 
1 1 1  -48    7   33 o   71.849   15.291   44.677   14.431   44.677   14.431   0.0000   0.0000   71.849   15.291  ?   ?       ?      ? 
1 1 1  -48    7   34 o   87.061   13.186   61.162   15.557   61.162   15.557   0.0000   0.0000   87.061   13.186  ?   ?       ?      ? 
1 1 1  -48    7   35 o   78.808   7.5861   44.074   7.6481   37.732   9.1744   58.521   13.847   71.135   9.5172   86.480   11.816 -15.34406 15.17213 
1 1 1  -48    7   36 o  111.929   6.4926   93.076   9.3979   93.628   11.740   92.089   15.681  113.912   7.6051  109.946   10.525 3.965767 12.98515 
1 1 1  -48    7   37 o   67.393   9.8834   37.886   8.9259   26.766   12.149   50.931   13.158   54.505   15.635   80.280   12.095 -25.77516 19.76677 
1 1 1  -48    7   38 o   31.210   9.0969   4.9571   6.3629   7.9614   7.8184  -0.9358   10.950   33.391   12.622   29.029   13.104 4.362572 18.19376 
1 1 1  -48    7   39 o   69.060   13.859   40.245   12.520   40.245   12.520   0.0000   0.0000   69.060   13.859  ?   ?       ?      ? 
1 1 1  -48    7   40 o   25.216   11.638  -3.8298   9.2812  -3.8298   9.2812   0.0000   0.0000   25.216   11.638  ?   ?       ?      ? 
1 1 1  -48    7   41 o   32.019   9.6996   3.9198   7.6695   7.5361   10.400  -0.3909   11.355   34.413   14.064   29.626   13.361 4.787304 19.39917 
1 1 1  -48    7   42 o   70.829   10.413   43.873   9.6636   46.408   13.462   41.178   13.881   73.838   13.965   67.819   15.449 6.018997 20.82514 
1 1 1  -48    7   43 o   77.507   9.9520   51.562   10.080   60.021   14.074   42.654   14.443   86.617   11.991   68.398   15.887 18.21939 19.90391 
1 1 1  -48    7   44 o   86.405   9.0905   61.248   10.634   57.955   14.810   64.752   15.279   83.787   13.044   89.022   12.665 -5.234306 18.18098 
1 1 1  -48    7   45 o   77.350   10.097   51.617   10.352   47.505   14.449   55.953   14.839   72.943   15.114   81.758   13.393 -8.815407 20.19427 
1 1 1  -48    7   46 o   49.791   11.604   24.167   9.0991   25.503   12.754   22.781   12.986   51.288   16.311   48.293   16.509 2.995239 23.20778 
1 1 1  -48    7   47 o   77.952   10.366   53.827   10.612   43.064   14.880   64.969   15.139   67.191   16.469   88.713   12.593 -21.52189 20.73222 
1 1 1  -48    7   48 o  121.465   8.3435  119.743   13.504   97.260   18.882  143.282   19.321  107.751   12.931  135.180   10.547 -27.42893 16.68710 
1 1 1  -48    7   49 o   65.775   16.138   41.410   14.276   0.0000   0.0000   41.410   14.276  ?   ?    65.775   16.138      ?      ? 
1 1 1  -48    7   50 o   94.178   9.1623   74.893   11.653   67.452   16.045   83.200   16.952   88.655   13.355   99.701   12.547 -11.04625 18.32467 
1 1 1  -48    7   51 o   38.243   10.617   10.391   8.7348   0.0413   11.840   22.751   12.939   29.411   13.413   47.075   16.460 -17.66461 21.23337 
1 1 1  -48    7   52 o   39.648   11.180   14.765   9.0388   13.890   12.547   15.709   13.033   38.906   15.611   40.389   16.007 -1.482529 22.35909 
1 1 1  -48    7   53 o   55.097   12.117   32.489   10.002   31.214   13.886   33.864   14.421   54.080   16.999   56.113   17.272 -2.033058 24.23367 
1 1 1  -48    7   54 o  111.608   12.591  107.121   19.044  107.121   19.044   0.0000   0.0000  111.608   12.591  ?   ?       ?      ? 
1 1 1  -48    8    1 o   63.450   10.567   32.012   9.0858   32.012   9.0858   0.0000   0.0000   63.450   10.567  ?   ?       ?      ? 
1 1 1  -48    8    2 o  134.835   7.4933  133.665   13.692  133.665   13.692   0.0000   0.0000  134.835   7.4933  ?   ?       ?      ? 
1 1 1  -48    8    3 o   58.672   11.206   28.131   8.5851   28.131   8.5851   0.0000   0.0000   58.672   11.206  ?   ?       ?      ? 
1 1 1  -48    8    4 o   81.305   8.9166   49.937   9.8242   49.937   9.8242   0.0000   0.0000   81.305   8.9166  ?   ?       ?      ? 
1 1 1  -48    8    5 o   56.867   11.498   26.528   8.5559   26.528   8.5559   0.0000   0.0000   56.867   11.498  ?   ?       ?      ? 
1 1 1  -48    8    6 o   33.922   12.625   8.9595   7.7603   8.9595   7.7603   0.0000   0.0000   33.922   12.625  ?   ?       ?      ? 
1 1 1  -48    8    7 o   39.728   13.013   13.502   8.0793   13.502   8.0793   0.0000   0.0000   39.728   13.013  ?   ?       ?      ? 
1 1 1  -48    8    8 o   72.119   9.6792   39.649   9.4596   39.649   9.4596   0.0000   0.0000   72.119   9.6792  ?   ?       ?      ? 
1 1 1  -48    8    9 o   37.960   12.953   12.027   7.9939   12.027   7.9939   0.0000   0.0000   37.960   12.953  ?   ?       ?      ? 
1 1 1  -48    8   10 o  113.358   7.8648   94.028   12.082   94.028   12.082   0.0000   0.0000  113.358   7.8648  ?   ?       ?      ? 
1 1 1  -48    8   11 o   65.298   10.650   33.064   9.4236   33.064   9.4236   0.0000   0.0000   65.298   10.650  ?   ?       ?      ? 
1 1 1  -48    8   12 o   46.834   12.980   18.667   8.5231   18.667   8.5231   0.0000   0.0000   46.834   12.980  ?   ?       ?      ? 
1 1 1  -48    8   13 o   60.745   11.411   29.575   9.0487   29.575   9.0487   0.0000   0.0000   60.745   11.411  ?   ?       ?      ? 
1 1 1  -48    8   14 o   64.939   15.442   37.852   13.390   37.852   13.390   0.0000   0.0000   64.939   15.442  ?   ?       ?      ? 
1 1 1  -48    8   15 o   36.728   15.101   9.2330   12.081   9.2330   12.081   0.0000   0.0000   36.728   15.101  ?   ?       ?      ? 
1 1 1  -48    8   16 o   96.573   12.455   74.999   16.299   74.999   16.299   0.0000   0.0000   96.573   12.455  ?   ?       ?      ? 
1 1 1  -48    8   17 o   43.968   16.040   17.324   12.422   17.324   12.422   0.0000   0.0000   43.968   16.040  ?   ?       ?      ? 
1 1 1  -48    8   18 o   31.898   13.931   3.0901   11.390   3.0901   11.390   0.0000   0.0000   31.898   13.931  ?   ?       ?      ? 
1 1 1  -48    8   19 o   53.319   16.117   26.309   12.632   26.309   12.632   0.0000   0.0000   53.319   16.117  ?   ?       ?      ? 
1 1 1  -48    8   20 o   82.807   13.269   56.070   14.889   56.070   14.889   0.0000   0.0000   82.807   13.269  ?   ?       ?      ? 
1 1 1  -48    8   21 o   92.617   12.830   69.320   16.102   69.320   16.102   0.0000   0.0000   92.617   12.830  ?   ?       ?      ? 
1 1 1  -48    8   22 o   54.911   16.547   28.216   13.331   28.216   13.331   0.0000   0.0000   54.911   16.547  ?   ?       ?      ? 
1 1 1  -48    8   23 o  125.202   11.420  122.360   19.375  122.360   19.375   0.0000   0.0000  125.202   11.420  ?   ?       ?      ? 
1 1 1  -48    8   24 o   70.076   15.685   43.667   14.523   43.667   14.523   0.0000   0.0000   70.076   15.685  ?   ?       ?      ? 
1 1 1  -48    8   25 o  119.940   11.244  111.839   18.276  111.839   18.276   0.0000   0.0000  119.940   11.244  ?   ?       ?      ? 
1 1 1  -48    8   26 o   71.855   14.936   44.822   14.069   44.822   14.069   0.0000   0.0000   71.855   14.936  ?   ?       ?      ? 
1 1 1  -48    8   27 o   90.385   12.700   65.806   15.555   65.806   15.555   0.0000   0.0000   90.385   12.700  ?   ?       ?      ? 
1 1 1  -48    8   28 o   57.114   16.537   30.479   13.535   30.479   13.535   0.0000   0.0000   57.114   16.537  ?   ?       ?      ? 
1 1 1  -48    8   29 o   70.127   14.694   42.539   13.517   42.539   13.517   0.0000   0.0000   70.127   14.694  ?   ?       ?      ? 
1 1 1  -48    8   30 f   40.561   15.420   13.709   11.713   13.709   11.713   0.0000   0.0000   40.561   15.420  ?   ?       ?      ? 
1 1 1  -48    8   31 o   51.900   16.437   25.318   12.962   25.318   12.962   0.0000   0.0000   51.900   16.437  ?   ?       ?      ? 
1 1 1  -48    8   41 o   30.999   13.665   2.8055   11.189   2.8055   11.189   0.0000   0.0000   30.999   13.665  ?   ?       ?      ? 
1 1 1  -48    8   42 o   51.840   11.380   25.851   8.8978   21.615   12.181   30.697   13.028   47.294   15.991   56.387   16.195 -9.093788 22.75941 
1 1 1  -48    8   43 o   48.832   11.564   23.484   8.9924   21.776   12.246   25.483   13.248   47.259   16.033   50.405   16.670 -3.145996 23.12883 
1 1 1  -48    8   44 o  105.345   8.3642   90.210   11.913   82.737   16.504   98.340   17.214  100.327   12.139  110.363   11.510 -10.03601 16.72835 
1 1 1  -48    8   45 o   55.970   11.546   31.324   9.4207   34.981   12.964   27.232   13.714   60.585   15.672   51.355   16.960 9.229778 23.09194 
1 1 1  -48    8   46 o  153.796   7.5633  187.914   15.757  181.757   21.930  194.485   22.655  151.177   10.705  156.416   10.688 -5.239639 15.12669 
1 1 1  -48    8   47 o   56.678   11.601   32.062   9.6234   24.394   13.033   41.252   14.269   48.555   16.540   64.800   16.273 -16.24479 23.20276 
1 1 1  -48    8   48 o   52.324   11.533   27.529   9.5994   17.264   13.008   39.805   14.225   41.649   16.143   63.000   16.475 -21.35082 23.06585 
1 1 1  -48    8   49 o   62.615   17.131   40.959   14.957   0.0000   0.0000   40.959   14.957  ?   ?    62.615   17.131      ?      ? 
1 1 1  -48    8   50 o   17.124   8.7051 -34.7283   10.819   0.0000   0.0000 -34.7283   10.819  ?   ?    17.124   8.7051      ?      ? 
1 1 1  -48    9    3 o   45.982   15.878   21.960   12.023   21.960   12.023   0.0000   0.0000   45.982   15.878  ?   ?       ?      ? 
1 1 1  -48    9    4 o   45.291   15.554   20.756   11.529   20.756   11.529   0.0000   0.0000   45.291   15.554  ?   ?       ?      ? 
1 1 1  -48    9    5 o   83.871   13.180   61.117   14.980   61.117   14.980   0.0000   0.0000   83.871   13.180  ?   ?       ?      ? 
1 1 1  -48    9    6 o  103.173   12.082   88.878   16.892   88.878   16.892   0.0000   0.0000  103.173   12.082  ?   ?       ?      ? 
1 1 1  -48    9    7 o   85.880   13.007   63.163   15.138   63.163   15.138   0.0000   0.0000   85.880   13.007  ?   ?       ?      ? 
1 1 1  -48    9    8 o   81.571   13.154   57.029   14.540   57.029   14.540   0.0000   0.0000   81.571   13.154  ?   ?       ?      ? 
1 1 1  -48    9    9 o   42.791   15.933   17.827   12.363   17.827   12.363   0.0000   0.0000   42.791   15.933  ?   ?       ?      ? 
1 1 1  -48    9   10 o   44.353   15.713   19.100   11.820   19.100   11.820   0.0000   0.0000   44.353   15.713  ?   ?       ?      ? 
1 1 1  -48    9   11 o   94.697   12.791   75.255   16.414   75.255   16.414   0.0000   0.0000   94.697   12.791  ?   ?       ?      ? 
1 1 1  -48    9   12 o   95.078   12.300   74.576   15.848   74.576   15.848   0.0000   0.0000   95.078   12.300  ?   ?       ?      ? 
1 1 1  -48    9   13 o   58.846   16.189   33.467   13.314   33.467   13.314   0.0000   0.0000   58.846   16.189  ?   ?       ?      ? 
1 1 1  -48    9   14 o   33.485   14.210   6.5628   11.210   6.5628   11.210   0.0000   0.0000   33.485   14.210  ?   ?       ?      ? 
1 1 1  -48    9   15 o   50.415   16.621   25.264   13.173   25.264   13.173   0.0000   0.0000   50.415   16.621  ?   ?       ?      ? 
1 1 1  -48    9   16 o   65.866   15.837   40.476   13.962   40.476   13.962   0.0000   0.0000   65.866   15.837  ?   ?       ?      ? 
1 1 1  -48    9   17 o   54.804   16.263   29.041   12.951   29.041   12.951   0.0000   0.0000   54.804   16.263  ?   ?       ?      ? 
1 1 1  -48    9   18 o   27.753   12.838  -3.2014   11.387  -3.2014   11.387   0.0000   0.0000   27.753   12.838  ?   ?       ?      ? 
1 1 1  -48    9   19 o   42.458   15.704   16.535   11.971   16.535   11.971   0.0000   0.0000   42.458   15.704  ?   ?       ?      ? 
1 1 1  -48    9   20 o   57.023   16.223   31.092   13.134   31.092   13.134   0.0000   0.0000   57.023   16.223  ?   ?       ?      ? 
1 1 1  -48    9   21 o   43.987   15.714   17.997   11.846   17.997   11.846   0.0000   0.0000   43.987   15.714  ?   ?       ?      ? 
1 1 1  -47    0    1 o   93.282   7.9774   61.737   9.9145   0.0000   0.0000   61.737   9.9145   93.282   7.9774   93.282   7.9774 -0.000000 0.000000 
1 1 1  -47    0    2 o  117.814   7.3409   97.159   11.616   0.0000   0.0000   97.159   11.616  117.814   7.3409  117.814   7.3409 -0.000000 0.000000 
1 1 1  -47    0    3 o   91.142   8.3523   59.202   10.117   0.0000   0.0000   59.202   10.117   91.142   8.3523   91.142   8.3523 -0.000000 0.000000 
1 1 1  -47    0    4 o  140.053   6.9741  136.415   13.161   0.0000   0.0000  136.415   13.161  140.053   6.9741  140.053   6.9741 -0.000000 0.000000 
1 1 1  -47    0    5 o  120.183   7.2205  100.885   11.662   0.0000   0.0000  100.885   11.662  120.183   7.2205  120.183   7.2205 -0.000000 0.000000 
1 1 1  -47    0    6 o  115.831   7.3275   93.847   11.396   0.0000   0.0000   93.847   11.396  115.831   7.3275  115.831   7.3275 -0.000000 0.000000 
1 1 1  -47    0    7 f  105.748   7.4799   78.485   10.596   0.0000   0.0000   78.485   10.596  105.748   7.4799  105.748   7.4799 -0.000000 0.000000 
1 1 1  -47    0    8 o   89.862   8.2025   57.413   9.7972   0.0000   0.0000   57.413   9.7972   89.862   8.2025   89.862   8.2025 -0.000000 0.000000 
1 1 1  -47    0    9 o  111.499   7.5648   87.164   11.309   0.0000   0.0000   87.164   11.309  111.499   7.5648  111.499   7.5648 -0.000000 0.000000 
1 1 1  -47    0   10 o   56.569   12.863   25.776   8.5955   0.0000   0.0000   25.776   8.5955   56.569   12.863   56.569   12.863 -0.000000 0.000000 
1 1 1  -47    0   11 o   24.639   15.476   3.5588   10.791   0.0000   0.0000   3.5588   10.791   24.639   15.476   24.639   15.476 -0.000000 0.000000 
1 1 1  -47    0   12 o   17.696   12.287  -7.7245   10.329   0.0000   0.0000  -7.7245   10.329   17.696   12.287   17.696   12.287 -0.000000 0.000000 
1 1 1  -47    0   13 o   23.901   15.222   2.4711   10.859   0.0000   0.0000   2.4711   10.859   23.901   15.222   23.901   15.222 -0.000000 0.000000 
1 1 1  -47    0   14 o   79.169   9.5733   45.599   9.8718   0.0000   0.0000   45.599   9.8718   79.169   9.5733   79.169   9.5733 -0.000000 0.000000 
1 1 1  -47    0   15 f   33.006   15.525   11.616   7.8117   0.0000   0.0000   11.616   7.8117   33.006   15.525   33.006   15.525 -0.000000 0.000000 
1 1 1  -47    0   16 o   50.721   14.168   21.976   8.4258   0.0000   0.0000   21.976   8.4258   50.721   14.168   50.721   14.168 -0.000000 0.000000 
1 1 1  -47    0   17 o   18.563   12.108  -0.1309   7.4257   0.0000   0.0000  -0.1309   7.4257   18.563   12.108   18.563   12.108 -0.000000 0.000000 
1 1 1  -47    0   18 o   53.301   13.852   23.723   8.6465   0.0000   0.0000   23.723   8.6465   53.301   13.852   53.301   13.852 -0.000000 0.000000 
1 1 1  -47    0   19 o  129.250   7.5117  116.557   13.055   0.0000   0.0000  116.557   13.055  129.250   7.5117  129.250   7.5117 -0.000000 0.000000 
1 1 1  -47    0   20 o  143.832   7.3780  143.936   14.294   0.0000   0.0000  143.936   14.294  143.832   7.3780  143.832   7.3780 -0.000000 0.000000 
1 1 1  -47    0   21 o   92.401   8.6826   60.842   10.651   0.0000   0.0000   60.842   10.651   92.401   8.6826   92.401   8.6826 -0.000000 0.000000 
1 1 1  -47    0   22 o  101.698   8.3662   73.161   11.350   0.0000   0.0000   73.161   11.350  101.698   8.3662  101.698   8.3662 -0.000000 0.000000 
1 1 1  -47    0   23 o   45.119   20.199   22.176   13.155   0.0000   0.0000   22.176   13.155   45.119   20.199   45.119   20.199 -0.000000 0.000000 
1 1 1  -47    0   24 o   36.459   19.418   15.096   13.009   0.0000   0.0000   15.096   13.009   36.459   19.418   36.459   19.418 -0.000000 0.000000 
1 1 1  -47    0   25 o  106.765   8.2951   80.441   11.835   0.0000   0.0000   80.441   11.835  106.765   8.2951  106.765   8.2951 -0.000000 0.000000 
1 1 1  -47    0   26 o   97.375   8.7587   67.464   11.343   0.0000   0.0000   67.464   11.343   97.375   8.7587   97.375   8.7587 -0.000000 0.000000 
1 1 1  -47    0   27 o  132.279   7.6102  122.118   13.538   0.0000   0.0000  122.118   13.538  132.279   7.6102  132.279   7.6102 -0.000000 0.000000 
1 1 1  -47    0   28 o  129.855   7.6705  117.785   13.390   0.0000   0.0000  117.785   13.390  129.855   7.6705  129.855   7.6705 -0.000000 0.000000 
1 1 1  -47    0   29 o   59.159   11.800   30.169   8.1055   28.564   10.606   32.423   12.568   57.825   15.659   60.492   17.656 -0.000000 0.000000 
1 1 1  -47    0   30 o   25.034   10.715   5.1380   6.6595   6.0879   8.5104   3.6378   10.696   25.402   14.842   24.666   15.457 -0.000000 0.000000 
1 1 1  -47    0   31 o   54.699   12.148   28.063   8.0661   31.690   10.623   23.123   12.396   62.329   14.458   47.069   19.526 -0.000000 0.000000 
1 1 1  -47    0   32 o   45.916   12.145   21.661   7.6790   26.617   10.078   14.801   11.857   55.635   15.453   36.198   18.740 -0.000000 0.000000 
1 1 1  -47    0   33 o   86.268   8.6957   55.137   9.4945   50.076   12.528   61.967   14.553   81.577   12.119   90.958   12.473 -0.000000 0.000000 
1 1 1  -47    0   34 o   28.678   10.896   3.4144   6.8915  -5.9134   8.8462   17.815   10.992   16.788   11.587   40.568   18.456 -0.000000 0.000000 
1 1 1  -47    0   35 o   45.381   10.641   16.794   7.6748   3.2089   9.9500   36.749   12.059   23.700   14.875   67.062   15.220 -0.000000 0.000000 
1 1 1  -47    0   36 o   39.128   11.288   15.321   7.4736   25.274   10.235   3.9546   10.938   53.199   16.250   25.057   15.671 -0.000000 0.000000 
1 1 1  -47    0   37 o   39.860   12.151   16.934   7.5598   22.835   10.215   9.7871   11.241   49.260   16.992   30.460   17.373 -0.000000 0.000000 
1 1 1  -47    0   38 o  104.619   11.513   80.286   15.818   0.0000   0.0000   80.286   15.818  104.619   11.513  104.619   11.513 -0.000000 0.000000 
1 1 1  -47    0   39 o   35.812   18.600   14.558   11.709   0.0000   0.0000   14.558   11.709   35.812   18.600   35.812   18.600 -0.000000 0.000000 
1 1 1  -47    0   40 o   79.640   9.4946   48.563   9.3174   43.588   12.564   54.643   13.889   74.589   13.827   84.691   13.016 -0.000000 0.000000 
1 1 1  -47    0   41 o  122.129   7.3276  107.377   11.903  109.078   16.443  105.503   17.252  123.420   9.9818  120.838   10.730 -0.000000 0.000000 
1 1 1  -47    0   42 o  111.224   7.6590   89.444   11.225   79.709   15.363  100.593   16.441  104.358   11.188  118.090   10.462 -0.000000 0.000000 
1 1 1  -47    0   43 o  133.010   7.2349  127.227   12.758  144.111   18.104  110.567   17.983  142.462   9.4735  123.557   10.938 -0.000000 0.000000 
1 1 1  -47    0   44 o   95.690   8.3440   67.809   10.356   65.245   14.096   70.817   15.265   93.824   11.557   97.555   12.039 -0.000000 0.000000 
1 1 1  -47    0   45 o   99.188   8.5919   73.786   10.918   78.622   14.825   68.055   16.139  103.784   10.810   94.592   13.358 -0.000000 0.000000 
1 1 1  -47    0   46 o   68.026   15.505   38.185   12.455   38.185   12.455   0.0000   0.0000   68.026   15.505   68.026   15.505 -0.000000 0.000000 
1 1 1  -47    0   47 o   83.854   9.8408   54.031   10.184   48.284   13.562   61.460   15.420   78.346   14.143   89.361   13.688 -0.000000 0.000000 
1 1 1  -47    0   48 o   47.671   12.104   21.878   8.1961   11.744   11.047   34.290   12.225   32.271   17.662   63.072   16.554 -0.000000 0.000000 
1 1 1  -47    0   49 o   59.451   11.134   31.636   9.0777   12.550   12.132   55.911   13.682   33.179   18.382   85.722   12.570 -0.000000 0.000000 
1 1 1  -47    0   50 o   26.146   11.255   4.1383   7.7638  -1.5461   10.453   11.133   11.595   20.715   13.794   31.577   17.789 -0.000000 0.000000 
1 1 1  -47    0   51 o  126.561   7.7518  116.686   13.064  116.471   18.355  116.906   18.599  126.496   10.893  126.626   11.032 -0.000000 0.000000 
1 1 1  -47    0   52 o   98.206   9.3107   73.050   11.334   56.881   15.429   92.004   16.705   84.648   14.806  111.764   11.294 -0.000000 0.000000 
1 1 1  -47    0   53 o   44.485   13.383   21.380   8.7004   28.083   12.530   15.139   12.090   53.162   19.035   35.807   18.817 -0.000000 0.000000 
1 1 1  -47    0   54 o   60.267   13.109   34.432   9.5360   28.764   13.677   39.794   13.303   52.354   20.278   68.180   16.618 -0.000000 0.000000 
1 1 1  -47    0   55 o   33.000   12.587   12.136   8.2894   6.5492   11.802   17.576   11.646   27.146   16.658   38.853   18.874 -0.000000 0.000000 
1 1 1  -47    0   56 o   58.477   18.944   32.832   13.272   0.0000   0.0000   32.832   13.272   58.477   18.944   58.477   18.944 -0.000000 0.000000 
1 1 1  -47    0   57 o   24.522   15.683   3.2850   11.677   0.0000   0.0000   3.2850   11.677   24.522   15.683   24.522   15.683 -0.000000 0.000000 
1 1 1  -47    0   58 o   74.232   16.695   46.955   14.657   0.0000   0.0000   46.955   14.657   74.232   16.695   74.232   16.695 -0.000000 0.000000 
1 1 1  -47    0   59 o   98.418   12.692   74.409   16.153   0.0000   0.0000   74.409   16.153   98.418   12.692   98.418   12.692 -0.000000 0.000000 
1 1 1  -47    0   60 o   51.233   20.032   28.309   13.297   0.0000   0.0000   28.309   13.297   51.233   20.032   51.233   20.032 -0.000000 0.000000 
1 1 1  -47    0   61 o   54.848   19.613   31.012   13.313   0.0000   0.0000   31.012   13.313   54.848   19.613   54.848   19.613 -0.000000 0.000000 
1 1 1  -47    1    1 o   68.674   8.9761   40.978   7.3057   25.730   12.731   48.464   8.9208   54.924   16.078   82.425   7.9866 -27.50071 17.95217 
1 1 1  -47    1    2 o   96.949   6.7721   64.991   8.3245   78.668   15.161   59.088   9.9602  102.905   10.872   90.994   8.0774 11.91077 13.54413 
1 1 1  -47    1    3 o  156.408   6.0512  176.693   11.938  171.823   20.881  179.057   14.550  153.132   10.063  159.685   6.7240 -6.553238 12.10231 
1 1 1  -47    1    4 o   86.038   7.1553   50.870   7.8022   64.226   14.322   45.233   9.3041   92.695   11.401   79.382   8.6490 13.31202 14.31069 
1 1 1  -47    1    5 o   48.420   9.4149   20.251   6.5359   11.498   11.997   23.946   7.7941   40.538   15.559   56.301   10.605 -15.76245 18.82970 
1 1 1  -47    1    6 o  112.723   5.1946   89.827   7.9222   85.939   11.342   93.532   11.071  110.180   7.5962  115.265   7.0874 -5.084732 10.38910 
1 1 1  -47    1    7 o  109.577   5.2699   84.940   7.8127   80.465   11.128   89.290   10.971  106.572   7.7057  112.582   7.1910 -6.010124 10.53980 
1 1 1  -47    1    8 o   69.498   6.5430   34.844   6.1584   36.520   8.7993   33.234   8.6221   71.197   9.1202   67.800   9.3843 3.396927 13.08598 
1 1 1  -47    1    9 o   67.156   7.4657   34.178   6.2820   21.114   8.7183   48.286   9.0596   51.915   12.534   82.397   8.1137 -30.48168 14.93135 
1 1 1  -47    1   10 o   82.009   6.1768   48.382   6.8179   42.553   9.6948   54.086   9.5898   76.795   9.3159   87.223   8.1133 -10.42797 12.35357 
1 1 1  -47    1   11 o  148.453   4.9506  154.680   9.9539  161.867   14.230  147.794   13.929  151.893   6.9134  145.013   7.0879 6.879669 9.901203 
1 1 1  -47    1   12 o  109.201   5.4720   84.148   8.0516   96.847   11.691   72.690   11.105  117.241   7.3586  101.162   8.1007 16.07876 10.94390 
1 1 1  -47    1   13 o   81.063   6.2530   46.973   6.8604   50.293   9.9408   43.953   9.4798   83.840   8.7496   78.287   8.9356 5.552284 12.50605 
1 1 1  -47    1   14 o   99.628   5.6784   70.400   7.6658   70.982   10.919   69.833   10.765  100.021   8.0561   99.236   8.0047 0.7845001 11.35676 
1 1 1  -47    1   15 o  116.028   5.4216   95.295   8.5000   87.993   12.089  102.435   11.954  111.408   8.0071  120.647   7.3117 -9.239670 10.84324 
1 1 1  -47    1   16 o   84.817   6.1320   51.376   7.0478   52.031   10.005   50.731   9.9299   85.365   8.6485   84.269   8.6955 1.096527 12.26410 
1 1 1  -47    1   17 o   99.638   8.2324   74.266   11.002   64.224   15.748   83.841   15.377   92.261   12.596  107.015   10.603 -14.75483 16.46479 
1 1 1  -47    1   18 o  107.145   7.9776   84.344   11.538   95.226   16.985   75.020   15.723  113.729   11.020  100.560   11.538 13.16872 15.95513 
1 1 1  -47    1   19 f  106.100   7.8705   83.006   11.269   92.336   16.110   74.067   15.769  112.354   10.581   99.846   11.654 12.50835 15.74095 
1 1 1  -47    1   20 o   97.225   5.8909   67.183   7.7574   67.702   11.170   66.699   10.781   97.521   8.4525   96.929   8.2078 0.5914536 11.78188 
1 1 1  -47    1   21 o   66.751   7.6212   33.654   6.4971   23.775   9.1708   43.608   9.2059   55.337   12.522   78.164   8.6912 -22.82634 15.24240 
1 1 1  -47    1   22 o   56.462   8.4535   24.470   6.2689   26.481   8.9392   22.524   8.7936   58.982   11.597   53.942   12.302 5.039898 16.90701 
1 1 1  -47    1   23 o  109.022   5.6498   84.211   8.3406   80.842   11.824   87.546   11.767  106.741   8.1743  111.303   7.8014 -4.561432 11.29959 
1 1 1  -47    1   24 o  116.218   5.5222   95.451   8.6967   96.305   12.362   94.614   12.237  116.729   7.8151  115.707   7.8041 1.022285 11.04449 
1 1 1  -47    1   25 o   67.827   7.4204   33.633   6.8110   32.277   9.7308   34.936   9.5364   66.327   10.826   69.326   10.151 -2.999046 14.84071 
1 1 1  -47    1   26 o   65.795   8.0990   32.629   6.8163   47.555   10.045   19.890   9.2799   81.424   9.1036   50.165   13.398 31.25865 16.19804 
1 1 1  -47    1   27 o   92.585   8.8400   61.298   11.091   61.298   11.091   0.0000   0.0000   92.585   8.8400  ?   ?       ?      ? 
1 1 1  -47    1   28 o  110.211   6.2059   84.553   9.2685   84.553   9.2685   0.0000   0.0000  110.211   6.2059  ?   ?       ?      ? 
1 1 1  -47    1   29 o   84.990   8.7332   64.047   7.4566   72.934   8.6352   37.996   14.785  102.345   6.2262   67.635   16.319 34.71021 17.46636 
1 1 1  -47    1   30 f   93.506   7.1574   67.794   7.4406   71.959   8.5868   55.240   14.907  101.650   6.2336   85.362   12.886 16.28865 14.31486 
1 1 1  -47    1   31 o   85.317   5.7780   52.377   6.5604   61.815   9.1444   42.367   9.4172   93.785   7.1951   76.848   9.0428 16.93707 11.55604 
1 1 1  -47    1   32 o  117.645   5.0518   97.122   8.0463   91.485   11.189  103.158   11.579  114.059   7.2393  121.232   7.0481 -7.173073 10.10361 
1 1 1  -47    1   33 o  113.156   5.0991   90.042   7.8077   96.353   11.128   83.925   10.957  117.176   7.0083  109.137   7.4086 8.038521 10.19824 
1 1 1  -47    1   34 o   75.948   6.2414   41.527   6.2836   31.541   8.7335   52.245   9.0475   65.963   9.7702   85.933   7.7693 -19.96993 12.48278 
1 1 1  -47    1   35 o  103.555   6.8404   79.613   8.8702   83.557   10.871   71.755   15.343  108.895   7.3669   98.215   11.528 10.67972 13.68072 
1 1 1  -47    1   36 o  150.544   6.0805  162.007   11.628  162.135   14.210  161.748   20.231  152.030   6.8975  149.058   10.016 2.972290 12.16090 
1 1 1  -47    1   37 o   81.128   5.9247   46.933   6.5122   47.154   9.3142   46.721   9.1085   81.277   8.4566   80.978   8.3004 0.2995224 11.84950 
1 1 1  -47    1   38 o   58.573   7.3246   25.487   5.6754   23.724   8.0810   27.202   7.9726   55.881   11.063   61.266   9.6028 -5.384838 14.64920 
1 1 1  -47    1   39 o   68.069   6.6356   33.479   6.1018   36.966   8.7556   30.186   8.5083   71.679   9.0139   64.459   9.7404 7.220802 13.27121 
1 1 1  -47    1   40 o  110.536   5.2520   86.247   7.8615   90.791   11.248   81.908   10.992  113.447   7.3165  107.624   7.5368 5.822472 10.50400 
1 1 1  -47    1   41 o  119.106   6.4298  100.941   9.6407  106.020   17.262   98.638   11.622  119.948   10.620  118.265   7.2518 1.682640 12.85961 
1 1 1  -47    1   42 o   49.984   9.8668   20.792   6.7710   17.048   12.377   22.392   8.0887   45.988   16.097   53.980   11.414 -7.992397 19.73366 
1 1 1  -47    1   43 o  100.424   6.5672   71.776   8.5280   77.258   14.580   68.925   10.514  102.387   10.508   98.460   7.8801 3.926865 13.13449 
1 1 1  -47    1   44 o  157.262   5.9741  176.495   12.017  179.261   20.723  175.094   14.750  156.765   9.7549  157.760   6.8995 -0.9956818 11.94825 
1 1 1  -47    1   45 o   97.601   5.6526   67.875   7.4741   69.420   10.729   66.418   10.418   98.661   8.0250   96.541   7.9630 2.119888 11.30530 
1 1 1  -47    1   46 o   75.739   6.4435   41.543   6.6133   41.464   9.3787   41.621   9.3266   75.649   9.1487   75.830   9.0761 -0.1818542 12.88700 
1 1 1  -47    1   47 o   68.987   6.7597   34.804   6.2899   31.165   8.8869   38.456   8.9036   65.092   10.075   72.881   9.0150 -7.789032 13.51936 
1 1 1  -47    1   48 o   77.468   7.6134   43.527   7.6329   40.798   9.3833   48.866   13.123   74.896   9.2452   80.040   12.099 -5.144417 15.22681 
1 1 1  -47    1   49 o  118.554   6.5128  100.339   9.8703   96.413   12.025  108.443   17.279  116.359   7.6264  120.749   10.560 -4.390228 13.02557 
1 1 1  -47    1   50 o   67.802   7.4752   34.756   6.6449   30.188   9.4629   39.200   9.3330   62.388   11.620   73.217   9.4065 -10.82834 14.95040 
1 1 1  -47    1   51 o  149.460   5.1460  158.668   10.421  162.908   14.841  154.546   14.635  151.473   7.2303  147.446   7.3244 4.026825 10.29196 
1 1 1  -47    1   52 o  142.466   5.2175  144.111   10.048  158.755   14.616  130.987   13.837  149.459   7.2165  135.473   7.5372 13.98523 10.43495 
1 1 1  -47    1   53 o  110.899   5.6917   88.751   8.5167   79.986   12.066   97.455   12.023  105.075   8.4737  116.723   7.6011 -11.64794 11.38335 
1 1 1  -47    1   54 o   89.320   7.6365   59.636   8.7107   58.307   10.667   62.297   15.093   89.394   8.8051   89.245   12.479 0.1485443 15.27305 
1 1 1  -47    1   55 o   79.245   9.1816   53.410   8.6044   60.414   10.636   40.144   14.637   91.036   8.6216   67.454   16.213 23.58185 18.36322 
1 1 1  -47    1   56 o   71.043   8.9630   39.042   8.0069   36.197   9.8027   44.746   13.879   69.219   10.450   72.866   14.565 -3.647316 17.92591 
1 1 1  -47    1   57 o   88.812   8.0341   59.390   9.0743   56.434   11.004   65.674   16.042   87.245   9.3074   90.379   13.098 -3.134544 16.06812 
1 1 1  -47    1   58 o  112.066   8.2885   98.240   12.586   98.921   17.963   97.585   17.639  112.348   11.799  111.784   11.644 0.5639877 16.57707 
1 1 1  -47    1   59 o  111.615   8.2110   97.631   12.390   89.803   17.334  105.808   17.716  106.515   12.009  116.715   11.201 -10.20010 16.42198 
1 1 1  -47    1   60 o   69.630   10.797   43.290   10.339   28.456   14.388   59.127   14.867   54.003   17.341   85.257   12.868 -31.25417 21.59355 
1 1 1  -47    1   61 o  107.313   12.224   92.715   17.776   0.0000   0.0000   92.715   17.776  ?   ?   107.313   12.224      ?      ? 
1 1 1  -47    1   62 o   66.829   16.315   41.863   14.646   0.0000   0.0000   41.863   14.646  ?   ?    66.829   16.315      ?      ? 
1 1 1  -47    1   63 o   45.490   16.267   19.978   12.697   0.0000   0.0000   19.978   12.697  ?   ?    45.490   16.267      ?      ? 
1 1 1  -47    2    1 o  109.670   11.113   89.966   16.515   89.966   16.515   0.0000   0.0000  109.670   11.113  ?   ?       ?      ? 
1 1 1  -47    2    2 o   76.061   9.1217   41.900   9.4020   41.900   9.4020   0.0000   0.0000   76.061   9.1217  ?   ?       ?      ? 
1 1 1  -47    2    3 o   60.459   11.333   27.988   8.9443   27.988   8.9443   0.0000   0.0000   60.459   11.333  ?   ?       ?      ? 
1 1 1  -47    2    4 o   99.593   6.3819   71.032   8.4356   68.765   10.824   74.540   13.463   98.158   8.1372  101.027   9.8336 -2.868370 12.76377 
1 1 1  -47    2    5 o  113.668   6.1862   92.856   9.2685   92.846   11.840   92.874   14.895  114.436   7.6349  112.899   9.7357 1.537773 12.37241 
1 1 1  -47    2    6 f  138.190   5.9349  134.664   10.775  128.989   13.553  144.413   17.764  135.093   7.4034  141.287   9.2780 -6.193268 11.86979 
1 1 1  -47    2    7 o   96.865   5.6372   66.610   7.3809   68.268   10.882   65.197   10.045   97.844   8.2069   95.887   7.7303 1.956444 11.27436 
1 1 1  -47    2    8 o   88.283   6.8909   53.144   7.7801   67.852   14.047   46.635   9.3444   95.843   10.815   80.723   8.5422 15.11963 13.78184 
1 1 1  -47    2    9 o  105.527   7.0317   85.847   9.0813   67.703   15.599   95.150   11.169   94.762   12.147  116.292   7.0875 -21.52999 14.06343 
1 1 1  -47    2   10 f  133.887   6.2577  128.299   10.591  129.606   18.644  127.677   12.868  133.016   10.343  134.759   7.0466 -1.742340 12.51538 
1 1 1  -47    2   11 o  104.141   7.0497   81.798   9.0522   70.952   15.867   87.031   11.022   97.163   12.051  111.118   7.3195 -13.95498 14.09941 
1 1 1  -47    2   12 o   95.116   6.8976   61.819   8.3477   77.280   15.185   55.123   9.9931  102.314   10.952   87.918   8.3876 14.39597 13.79513 
1 1 1  -47    2   13 o  139.747   5.0734  137.389   9.5992  136.934   13.854  137.810   13.312  139.409   7.3336  140.085   7.0127 -0.6755219 10.14685 
1 1 1  -47    2   14 o  145.480   5.0588  148.895   9.9624  146.664   14.355  150.967   13.837  144.288   7.3417  146.673   6.9616 -2.384277 10.11755 
1 1 1  -47    2   15 o   55.091   8.3359   23.221   6.0360   26.370   8.8133   20.439   8.2837   58.839   11.465   51.343   12.103 7.496529 16.67170 
1 1 1  -47    2   16 o   73.691   6.6823   38.994   6.6553   42.033   9.8579   36.448   9.0216   76.274   9.5372   71.107   9.3624 5.167572 13.36463 
1 1 1  -47    2   17 o  124.835   5.2383  110.029   8.8403  103.985   12.681  115.744   12.331  121.290   7.7152  128.380   7.0877 -7.089760 10.47662 
1 1 1  -47    2   18 o  106.995   5.5088   81.205   7.9605   76.459   11.488   85.589   11.041  103.754   8.1708  110.236   7.3908 -6.482811 11.01754 
1 1 1  -47    2   19 o   63.104   7.6411   29.313   6.3154   36.407   9.3907   23.455   8.5333   70.903   9.7736   55.306   11.748 15.59630 15.28226 
1 1 1  -47    2   20 o  122.477   5.3143  105.465   8.7627  122.640   12.747   90.076   12.066  132.152   7.1178  112.802   7.8933 19.35028 10.62863 
1 1 1  -47    2   21 o  128.987   5.3110  117.339   9.2759  111.917   13.102  122.787   13.134  125.884   7.6805  132.090   7.3375 -6.205757 10.62207 
1 1 1  -47    2   22 o  132.352   6.4612  128.830   10.969  137.023   13.795  114.742   18.089  139.572   7.2935  125.131   10.667 14.44091 12.92235 
1 1 1  -47    2   23 o  116.946   6.4500   95.868   9.8672   89.650   12.279  107.203   16.579  112.442   8.0582  121.450   10.073 -9.007126 12.89995 
1 1 1  -47    2   24 o  120.086   5.5283  101.938   8.9918   97.552   12.584  106.514   12.853  117.388   7.9109  122.784   7.7244 -5.396156 11.05662 
1 1 1  -47    2   25 o  136.113   5.2495  130.390   9.6788  134.129   13.931  126.901   13.458  137.980   7.4503  134.247   7.3974 3.732788 10.49894 
1 1 1  -47    2   26 o  134.526   5.8068  128.822   9.1243  129.157   10.550  127.828   18.174  136.481   5.7045  132.572   10.116 3.908554 11.61364 
1 1 1  -47    2   27 o  109.248   6.1634   85.745   7.9447   86.311   9.2467   84.148   15.528  111.372   6.1267  107.124   10.696 4.248039 12.32682 
1 1 1  -47    2   28 f   49.346   8.6162   21.239   5.7362   25.010   6.6543   10.332   11.317   59.307   8.2797   39.384   15.113 19.92289 17.23237 
1 1 1  -47    2   29 o  104.030   6.3856   79.427   7.7844   81.498   9.0810   73.686   15.116  108.183   6.1944   99.878   11.168 8.304482 12.77125 
1 1 1  -47    2   30 o  118.568   6.2236   97.934   9.9998   97.934   9.9998   0.0000   0.0000  118.568   6.2236  ?   ?       ?      ? 
1 1 1  -47    2   31 o   81.509   8.3544   47.307   9.2280   47.307   9.2280   0.0000   0.0000   81.509   8.3544  ?   ?       ?      ? 
1 1 1  -47    2   32 o   45.754   9.5191   17.672   6.4330   20.768   7.5614   9.5565   12.241   52.279   11.020   39.230   15.524 13.04890 19.03827 
1 1 1  -47    2   33 o  150.097   4.8063  157.838   9.7754  160.201   13.869  155.505   13.781  151.235   6.7671  148.959   6.8269 2.276337 9.612527 
1 1 1  -47    2   34 o  139.888   4.8648  136.826   9.1829  155.199   13.355  120.348   12.647  148.947   6.6164  130.828   7.1336 18.11945 9.729579 
1 1 1  -47    2   35 o   74.079   6.2846   39.580   6.2367   32.939   8.7908   46.310   8.8495   67.433   9.6199   80.724   8.0897 -13.29072 12.56923 
1 1 1  -47    2   36 o   97.127   5.4129   66.807   7.0856   58.422   9.9156   75.556   10.129   90.663   8.0706  103.590   7.2153 -12.92781 10.82571 
1 1 1  -47    2   37 o  125.417   4.9773  110.263   8.4329  123.018   12.252   98.781   11.625  132.424   6.8273  118.410   7.2446 14.01396 9.954697 
1 1 1  -47    2   38 o  103.949   5.2902   76.140   7.4180   86.579   10.771   66.722   10.231  110.884   7.1683   97.014   7.7821 13.86973 10.58046 
1 1 1  -47    2   39 o  102.235   5.4028   74.296   7.4409   65.765   10.568   82.684   10.479   96.110   8.1138  108.361   7.1362 -12.25045 10.80554 
1 1 1  -47    2   40 o  103.645   6.4540   76.147   8.5450   81.709   14.966   73.457   10.408  105.399   10.478  101.891   7.5380 3.508240 12.90802 
1 1 1  -47    2   41 o  131.113   6.1488  123.873   10.298  121.758   17.644  124.965   12.682  128.981   10.094  133.245   7.0237 -4.263626 12.29758 
1 1 1  -47    2   42 o  100.454   5.6022   71.843   7.6188   68.919   10.832   74.707   10.718   98.301   8.1317  102.606   7.7080 -4.305191 11.20441 
1 1 1  -47    2   43 o   85.255   7.9113   54.939   8.2627   52.024   14.975   56.214   9.9074   81.820   13.506   88.690   8.2433 -6.869888 15.82257 
1 1 1  -47    2   44 o   75.580   8.7940   44.293   7.8069   43.047   14.520   44.799   9.2592   72.225   15.310   78.934   8.6561 -6.708839 17.58792 
1 1 1  -47    2   45 o   77.318   6.3248   42.945   6.5711   51.048   9.6502   35.939   8.9727   84.344   8.4430   70.292   9.4196 14.05242 12.64966 
1 1 1  -47    2   46 o  109.118   5.4095   84.542   7.9915   89.746   11.512   79.701   11.103  112.417   7.5565  105.818   7.7427 6.598969 10.81896 
1 1 1  -47    2   47 o   69.026   7.2972   36.235   6.4272   26.776   9.1744   45.351   9.0067   58.590   11.960   79.463   8.3641 -20.87358 14.59438 
1 1 1  -47    2   48 o   34.534   8.8647   7.8639   5.4756   11.947   8.1279   4.4707   7.4093   39.225   13.062   29.843   11.989 9.381971 17.72933 
1 1 1  -47    2   49 o   60.402   7.8914   28.194   6.2371   23.696   9.1073   32.167   8.5592   54.536   12.580   66.268   9.5313 -11.73159 15.78274 
1 1 1  -47    2   50 o   45.114   9.6907   14.611   6.6215   8.0354   8.3326   25.879   10.907   34.455   13.028   55.773   14.349 -21.31788 19.38132 
1 1 1  -47    2   51 o   85.399   6.2871   52.952   7.2672   56.525   10.532   49.705   10.041   88.195   8.8122   82.603   8.9697 5.591789 12.57421 
1 1 1  -47    2   52 o   84.828   8.3858   57.056   8.7006   60.712   10.825   50.385   14.624   91.375   8.7423   78.281   14.313 13.09390 16.77157 
1 1 1  -47    2   53 o   84.395   8.0400   54.723   8.6458   55.658   10.691   52.955   14.699   87.191   9.0481   81.598   13.293 5.592743 16.07993 
1 1 1  -47    2   54 o   54.796   10.180   25.831   7.5098   26.953   9.2870   23.711   12.765   58.096   12.185   51.496   16.312 6.599155 20.36079 
1 1 1  -47    2   55 o   87.304   7.6256   56.327   8.7096   52.012   10.833   64.215   14.647   83.726   9.5478   90.881   11.893 -7.154648 15.25126 
1 1 1  -47    2   56 o   50.897   11.483   23.369   9.0072   27.193   12.930   19.763   12.555   54.752   16.251   47.041   16.227 7.711426 22.96520 
1 1 1  -47    2   57 o   51.945   11.739   24.938   9.3255   25.885   13.512   24.078   12.886   52.710   16.792   51.180   16.408 1.529816 23.47748 
1 1 1  -47    2   58 o   44.530   10.728   17.298   7.5777   17.355   9.3307   17.187   12.987   45.006   13.900   44.053   16.345 0.9527702 21.45585 
1 1 1  -47    2   59 o   97.637   12.565   76.757   16.624   0.0000   0.0000   76.757   16.624  ?   ?    97.637   12.565      ?      ? 
1 1 1  -47    2   60 o   72.444   15.648   47.110   14.912   0.0000   0.0000   47.110   14.912  ?   ?    72.444   15.648      ?      ? 
1 1 1  -47    2   61 o   55.550   17.058   30.295   14.075   0.0000   0.0000   30.295   14.075  ?   ?    55.550   17.058      ?      ? 
1 1 1  -47    2   62 o   54.629   16.794   29.394   13.638   0.0000   0.0000   29.394   13.638  ?   ?    54.629   16.794      ?      ? 
1 1 1  -47    2   63 o   44.770   16.706   19.726   13.605   0.0000   0.0000   19.726   13.605  ?   ?    44.770   16.706      ?      ? 
1 1 1  -47    2   64 o  119.938   11.701  117.042   19.018   0.0000   0.0000  117.042   19.018  ?   ?   119.938   11.701      ?      ? 
1 1 1  -47    3    1 o   71.582   9.3196   37.329   9.0403   37.329   9.0403   0.0000   0.0000   71.582   9.3196  ?   ?       ?      ? 
1 1 1  -47    3    2 o   76.718   9.0873   42.682   9.4474   42.682   9.4474   0.0000   0.0000   76.718   9.0873  ?   ?       ?      ? 
1 1 1  -47    3    3 o   88.687   8.3235   56.386   10.003   56.386   10.003   0.0000   0.0000   88.687   8.3235  ?   ?       ?      ? 
1 1 1  -47    3    4 o   99.288   8.0356   70.355   10.812   70.355   10.812   0.0000   0.0000   99.288   8.0356  ?   ?       ?      ? 
1 1 1  -47    3    5 o  114.765   7.6254   93.470   11.859   93.470   11.859   0.0000   0.0000  114.765   7.6254  ?   ?       ?      ? 
1 1 1  -47    3    6 o   82.735   8.9031   49.339   9.9818   49.339   9.9818   0.0000   0.0000   82.735   8.9031  ?   ?       ?      ? 
1 1 1  -47    3    7 o  118.494   7.5744   99.481   12.163   99.481   12.163   0.0000   0.0000  118.494   7.5744  ?   ?       ?      ? 
1 1 1  -47    3    8 o   93.372   5.6786   62.085   7.1544   61.954   10.602   62.195   9.6941   93.065   8.4068   93.679   7.6363 -0.6143951 11.35726 
1 1 1  -47    3    9 o   45.384   8.8615   16.223   5.6170   15.799   8.4122   16.565   7.5456   44.687   13.066   46.081   11.974 -1.393978 17.72292 
1 1 1  -47    3   10 o   53.965   8.1151   22.630   5.7311   19.987   8.5295   24.806   7.7383   50.421   12.536   57.510   10.308 -7.088593 16.23019 
1 1 1  -47    3   11 o   98.616   6.5545   69.301   8.5319   66.178   10.809   74.464   13.897   96.324   8.2807  100.908   10.162 -4.583466 13.10898 
1 1 1  -47    3   12 o   91.869   6.7815   58.552   8.1936   50.820   10.198   72.634   13.762   84.074   8.9509   99.665   10.190 -15.59109 13.56297 
1 1 1  -47    3   13 o   88.027   5.9460   55.145   7.0805   58.326   10.396   52.393   9.6702   90.343   8.4915   85.711   8.3256 4.631943 11.89206 
1 1 1  -47    3   14 o   48.729   8.7325   18.506   5.7650   19.691   8.4480   17.473   7.8867   50.138   12.482   47.320   12.215 2.817883 17.46502 
1 1 1  -47    3   15 o  115.716   5.3152   94.775   8.3122   90.657   12.022   98.546   11.506  113.094   7.8442  118.339   7.1746 -5.244682 10.63044 
1 1 1  -47    3   16 f  194.312   4.9327  265.392   12.967  248.611   18.358  282.098   18.318  187.945   7.2080  200.678   6.7357 -12.73299 9.865379 
1 1 1  -47    3   17 o  183.041   4.9280  234.839   12.212  243.236   17.754  227.298   16.824  186.076   7.0406  180.006   6.8970 6.070450 9.855941 
1 1 1  -47    3   18 o   85.853   6.0904   52.634   7.0770   53.617   10.303   51.757   9.7377   86.520   8.7874   85.187   8.4353 1.333153 12.18083 
1 1 1  -47    3   19 o  137.440   5.1302  132.829   9.5452  135.698   13.869  130.246   13.157  138.763   7.3755  136.117   7.1328 2.645828 10.26037 
1 1 1  -47    3   20 o  104.588   5.6547   77.349   7.9801   87.759   11.614   68.039   10.983  111.408   7.6928   97.768   8.2901 13.64034 11.30947 
1 1 1  -47    3   21 o  131.113   5.2452  121.162   9.3187  123.119   13.278  119.263   13.081  132.158   7.4143  130.068   7.4215 2.090805 10.49049 
1 1 1  -47    3   22 o  165.823   5.0478  192.851   11.330  203.036   16.496  183.756   15.589  169.938   7.1633  161.709   7.1139 8.229630 10.09554 
1 1 1  -47    3   23 o  148.538   5.1644  155.403   10.387  153.487   14.936  157.197   14.454  147.521   7.4713  149.555   7.1318 -2.033676 10.32876 
1 1 1  -47    3   24 o  144.558   5.2445  147.285   10.273  149.995   14.597  144.626   14.460  145.901   7.3826  143.215   7.4509 2.685593 10.48898 
1 1 1  -47    3   25 f  158.002   5.9752  179.667   12.013  183.285   14.780  172.626   20.620  161.797   6.7411  154.207   9.8676 7.590149 11.95037 
1 1 1  -47    3   26 o  125.563   7.4121  114.859   12.580  124.747   18.588  106.504   17.088  130.498   10.511  120.629   10.453 9.869476 14.82427 
1 1 1  -47    3   27 o  114.143   7.5641   96.093   11.639   88.353   16.782  103.266   16.155  109.141   11.347  119.145   10.006 -10.00393 15.12823 
1 1 1  -47    3   28 o  133.369   5.9546  130.001   9.3897  133.885   11.011  119.648   17.978  138.827   5.8528  127.910   10.372 10.91666 11.90916 
1 1 1  -47    3   29 o   79.396   7.7802   49.625   6.8545   52.838   8.0331   41.020   13.145   86.823   6.8275   71.968   13.983 14.85509 15.56048 
1 1 1  -47    3   30 o  188.678   5.5409  247.079   12.517  241.297   14.563  263.424   24.487  186.426   5.7646  190.929   9.4643 -4.502411 11.08173 
1 1 1  -47    3   31 o  192.000   5.6666  262.966   12.979  264.545   15.186  258.689   24.999  195.210   5.7406  188.789   9.7716 6.420456 11.33311 
1 1 1  -47    3   32 o  119.087   6.2356  105.022   8.7597  109.163   10.293   94.149   16.680  125.215   6.0663  112.960   10.896 12.25430 12.47111 
1 1 1  -47    3   33 o   45.374   11.069   15.775   6.7459   15.775   6.7459   0.0000   0.0000   45.374   11.069  ?   ?       ?      ? 
1 1 1  -47    3   34 o   72.072   7.9740   36.892   7.7879   36.892   7.7879   0.0000   0.0000   72.072   7.9740  ?   ?       ?      ? 
1 1 1  -47    3   35 o   73.233   6.2317   38.481   6.1819   37.033   8.6741   39.977   8.8126   71.784   8.9169   74.682   8.7077 -2.898048 12.46337 
1 1 1  -47    3   36 o   94.543   6.3982   63.269   7.9109   68.666   13.217   60.256   9.8749   96.971   10.058   92.115   7.9108 4.856186 12.79644 
1 1 1  -47    3   37 o   34.166   8.6881   7.4426   5.7536  -1.3698   9.3631   12.789   7.2929   27.687   12.336   40.646   12.237 -12.95856 17.37614 
1 1 1  -47    3   38 o   41.307   8.3659   12.218   5.4477   21.253   8.0531   4.5944   7.3969   52.457   11.633   30.157   12.025 22.29983 16.73170 
1 1 1  -47    3   39 o  106.525   5.2967   80.249   7.6439   81.936   10.971   78.657   10.656  107.592   7.5249  105.458   7.4562 2.133774 10.59334 
1 1 1  -47    3   40 o  101.515   5.5015   73.912   7.4294   58.353   10.498   89.523   10.516   90.190   8.5893  112.841   6.8768 -22.65049 11.00305 
1 1 1  -47    3   41 o   83.516   5.9945   49.843   6.7095   60.131   9.7867   40.720   9.2162   91.949   7.8543   75.082   9.0580 16.86657 11.98907 
1 1 1  -47    3   42 o  110.589   5.2787   86.829   7.8831   79.156   11.184   94.404   11.113  105.485   7.8241  115.693   7.0881 -10.20705 10.55741 
1 1 1  -47    3   43 o   85.217   6.0462   52.710   6.8910   44.807   9.9468   60.004   9.5556   78.537   9.3461   91.898   7.6731 -13.36122 12.09235 
1 1 1  -47    3   44 o   84.380   6.1843   51.882   6.9806   45.236   10.203   57.730   9.5714   78.748   9.5610   90.012   7.8468 -11.26395 12.36869 
1 1 1  -47    3   45 o   73.406   8.6285   39.837   7.5669   45.774   14.321   37.538   8.9127   74.897   14.634   71.914   9.1455 2.982468 17.25698 
1 1 1  -47    3   46 o   79.885   8.5459   50.843   7.8655   44.442   14.505   53.509   9.3615   73.262   15.112   86.508   7.9855 -13.24629 17.09175 
1 1 1  -47    3   47 o  119.034   5.3208  101.175   8.5446   94.808   12.395  106.942   11.795  115.126   7.9447  122.941   7.0800 -7.814766 10.64165 
1 1 1  -47    3   48 o   66.624   7.0211   32.874   6.2862   31.452   9.3606   34.042   8.4840   64.902   10.643   68.346   9.1602 -3.444153 14.04219 
1 1 1  -47    3   49 o   46.438   9.6075   15.129   6.8262   6.7506   8.6095   29.313   11.202   33.265   13.065   59.611   14.089 -26.34585 19.21493 
1 1 1  -47    3   50 o  102.639   6.7125   74.189   9.0560   64.805   11.265   91.332   15.225   94.413   8.8051  110.865   10.134 -16.45238 13.42509 
1 1 1  -47    3   51 o   64.507   15.616   35.822   13.504   35.822   13.504   0.0000   0.0000   64.507   15.616  ?   ?       ?      ? 
1 1 1  -47    3   52 o   78.757   9.5849   45.851   10.230   45.851   10.230   0.0000   0.0000   78.757   9.5849  ?   ?       ?      ? 
1 1 1  -47    3   53 o   74.978   8.2769   41.854   8.1754   37.066   10.223   50.347   13.616   69.937   10.787   80.019   12.556 -10.08260 16.55371 
1 1 1  -47    3   54 o   89.014   8.2250   64.068   8.9383   71.784   11.343   51.430   14.517   99.299   8.4298   78.729   14.126 20.56951 16.44997 
1 1 1  -47    3   55 o  124.917   6.7937  118.518   10.892  125.003   13.705  107.399   17.945  131.697   7.6792  118.138   11.209 13.55890 13.58750 
1 1 1  -47    3   56 o   95.254   8.9060   72.378   11.484   71.396   16.508   73.299   15.987   94.247   12.925   96.261   12.256 -2.014229 17.81203 
1 1 1  -47    3   57 o   59.454   11.593   32.591   9.6427   32.463   13.816   32.713   13.465   59.136   16.575   59.772   16.213 -0.6365051 23.18546 
1 1 1  -47    3   58 f   69.820   10.694   42.894   10.080   33.391   14.163   52.651   14.351   59.448   16.823   80.193   13.206 -20.74513 21.38716 
1 1 1  -47    3   59 o   95.091   8.9537   73.480   11.527   71.335   16.432   75.559   16.174   93.303   12.996   96.880   12.320 -3.576935 17.90744 
1 1 1  -47    3   60 f   25.676   12.157  -7.5848   11.251   0.0000   0.0000  -7.5848   11.251  ?   ?    25.676   12.157      ?      ? 
1 1 1  -47    3   61 f   74.848   15.226   50.360   14.918   0.0000   0.0000   50.360   14.918  ?   ?    74.848   15.226      ?      ? 
1 1 1  -47    3   62 o   65.963   16.518   41.842   14.732   0.0000   0.0000   41.842   14.732  ?   ?    65.963   16.518      ?      ? 
1 1 1  -47    3   63 o   45.383   16.687   20.755   13.482   0.0000   0.0000   20.755   13.482  ?   ?    45.383   16.687      ?      ? 
1 1 1  -47    3   64 o  132.900   11.416  143.502   20.560   0.0000   0.0000  143.502   20.560  ?   ?   132.900   11.416      ?      ? 
1 1 1  -47    3   65 o   64.985   17.083   43.371   15.243   0.0000   0.0000   43.371   15.243  ?   ?    64.985   17.083      ?      ? 
1 1 1  -47    4    1 o   75.878   8.9291   41.819   9.1813   41.819   9.1813   0.0000   0.0000   75.878   8.9291  ?   ?       ?      ? 
1 1 1  -47    4    2 o  104.480   7.7521   77.904   10.976   77.904   10.976   0.0000   0.0000  104.480   7.7521  ?   ?       ?      ? 
1 1 1  -47    4    3 o  150.876   7.0545  160.928   14.423  160.928   14.423   0.0000   0.0000  150.876   7.0545  ?   ?       ?      ? 
1 1 1  -47    4    4 o  125.919   7.3550  112.417   12.550  112.417   12.550   0.0000   0.0000  125.919   7.3550  ?   ?       ?      ? 
1 1 1  -47    4    5 o  104.254   7.8082   77.438   11.031   77.438   11.031   0.0000   0.0000  104.254   7.8082  ?   ?       ?      ? 
1 1 1  -47    4    6 o   46.317   12.733   17.071   8.2396   17.071   8.2396   0.0000   0.0000   46.317   12.733  ?   ?       ?      ? 
1 1 1  -47    4    7 o   90.410   8.3630   58.575   10.246   58.575   10.246   0.0000   0.0000   90.410   8.3630  ?   ?       ?      ? 
1 1 1  -47    4    8 o   81.837   8.8093   48.248   9.7696   48.248   9.7696   0.0000   0.0000   81.837   8.8093  ?   ?       ?      ? 
1 1 1  -47    4    9 o   74.601   9.4210   40.407   9.5240   40.407   9.5240   0.0000   0.0000   74.601   9.4210  ?   ?       ?      ? 
1 1 1  -47    4   10 o   73.978   9.4830   39.746   9.5068   39.746   9.5068   0.0000   0.0000   73.978   9.4830  ?   ?       ?      ? 
1 1 1  -47    4   11 o   40.943   13.141   13.039   8.2636   13.039   8.2636   0.0000   0.0000   40.943   13.141  ?   ?       ?      ? 
1 1 1  -47    4   12 o   82.023   9.1633   48.596   10.185   48.596   10.185   0.0000   0.0000   82.023   9.1633  ?   ?       ?      ? 
1 1 1  -47    4   13 o  134.354   5.0541  127.807   9.1371  120.638   13.494  133.877   12.417  130.497   7.6307  138.211   6.6294 -7.713852 10.10828 
1 1 1  -47    4   14 o  131.509   5.1346  122.885   9.0571  113.798   13.470  130.383   12.236  126.601   7.8515  136.417   6.6189 -9.816063 10.26919 
1 1 1  -47    4   15 o  123.721   6.5396  113.872   10.449  124.933   13.400   96.714   16.690  132.978   7.4362  114.465   10.759 18.51326 13.07916 
1 1 1  -47    4   16 o   89.098   7.0917   57.062   8.3433   54.110   10.565   61.951   13.599   86.711   8.9915   91.484   10.969 -4.772705 14.18348 
1 1 1  -47    4   17 o   91.125   7.1326   57.794   8.5773   48.366   10.742   74.385   14.249   81.593   9.7147  100.658   10.446 -19.06552 14.26511 
1 1 1  -47    4   18 f  112.047   6.8165   91.998   9.4660   88.446   16.987   93.597   11.400  108.881   11.513  115.213   7.3018 -6.331711 13.63294 
1 1 1  -47    4   19 o  114.122   6.7586   94.474   9.6058   93.925   17.263   94.721   11.561  112.374   11.336  115.871   7.3627 -3.496544 13.51717 
1 1 1  -47    4   20 o   98.664   7.0808   69.149   8.8699   76.400   15.809   65.818   10.715  101.206   11.527   96.121   8.2262 5.084442 14.16158 
1 1 1  -47    4   21 o   27.991   8.7033  -4.3793   6.0311   7.4868   11.130  -9.3124   7.1761   36.549   14.689   19.433   9.3389 17.11513 17.40669 
1 1 1  -47    4   22 o   37.210   9.2123   9.6594   5.8035   13.362   8.6561   6.6358   7.8219   41.518   13.462   32.902   12.579 8.616524 18.42462 
1 1 1  -47    4   23 o   33.222   8.9930   5.5453   4.9431   3.9221   5.6439   10.891   10.243   27.265   10.615   39.180   14.520 -11.91467 17.98607 
1 1 1  -47    4   24 o   33.967   7.7882   8.4196   5.1671   14.134   5.8882 -10.7196   10.776   43.216   10.216   24.717   11.759 18.49917 15.57642 
1 1 1  -47    4   25 o   56.707   8.8258   26.413   5.9553   28.235   6.8824   20.984   11.881   63.023   8.0586   50.392   15.705 12.63100 17.65160 
1 1 1  -47    4   26 o   42.684   9.3556   12.908   5.2988   11.517   6.0577   17.439   10.934   38.864   11.004   46.505   15.133 -7.641247 18.71125 
1 1 1  -47    4   27 o  121.155   5.9347  106.808   8.5224  109.310   9.9890  100.115   16.338  125.381   5.8791  116.928   10.311 8.452171 11.86938 
1 1 1  -47    4   28 o  125.739   6.2712  112.900   10.488  110.238   13.538  116.896   16.585  124.541   8.0217  126.937   9.6417 -2.396103 12.54231 
1 1 1  -47    4   29 o  105.192   6.8612   80.582   9.5244   81.484   12.235   79.195   15.174  106.790   8.4545  103.594   10.809 3.196014 13.72245 
1 1 1  -47    4   30 o   98.687   6.6901   74.392   7.8172   79.865   9.3112   61.320   14.389  106.891   6.4281   90.483   11.735 16.40813 13.38022 
1 1 1  -47    4   31 o   77.617   8.5974   49.530   7.9473   58.991   10.062   33.841   12.958   91.009   8.1588   64.224   15.136 26.78438 17.19488 
1 1 1  -47    4   32 o  129.718   6.1744  120.538   10.464  120.038   13.179  121.390   17.215  130.328   7.4619  129.108   9.8394 1.220215 12.34883 
1 1 1  -47    4   33 o  129.415   6.2869  122.817   10.546  130.183   13.405  110.853   17.084  135.843   7.2819  122.988   10.251 12.85513 12.57389 
1 1 1  -47    4   34 o  124.389   6.2338  116.913   9.1346  124.408   10.811   98.215   17.076  133.654   5.9693  115.125   10.946 18.52879 12.46753 
1 1 1  -47    4   35 o   86.692   7.1705   52.982   8.4239   52.982   8.4239   0.0000   0.0000   86.692   7.1705  ?   ?       ?      ? 
1 1 1  -47    4   36 o   45.678   11.239   16.098   6.9093   16.098   6.9093   0.0000   0.0000   45.678   11.239  ?   ?       ?      ? 
1 1 1  -47    4   37 o   59.623   7.5450   26.728   5.8844   32.929   8.4522   20.895   8.1972   67.447   9.2476   51.800   11.924 15.64685 15.09009 
1 1 1  -47    4   38 o   61.368   7.5659   29.000   5.9298   18.612   8.3748   39.444   8.3973   48.494   12.622   74.241   8.3466 -25.74764 15.13189 
1 1 1  -47    4   39 o   74.003   7.0523   41.581   6.5024   27.411   9.2230   55.586   9.1689   59.514   11.852   88.491   7.6460 -28.97677 14.10450 
1 1 1  -47    4   40 o  105.367   5.4402   78.099   7.7028   93.603   11.477   65.390   10.391  114.994   7.3647   95.741   8.0089 19.25278 10.88032 
1 1 1  -47    4   41 o   58.726   7.7683   26.077   6.0115   25.761   8.9989   26.331   8.0785   57.537   11.933   59.915   9.9497 -2.377857 15.53669 
1 1 1  -47    4   42 o  106.527   5.4083   80.596   7.7785   81.829   11.536   79.568   10.533  107.071   7.9505  105.983   7.3341 1.088440 10.81660 
1 1 1  -47    4   43 o  136.113   5.0659  131.036   9.3267  131.474   13.615  130.648   12.802  136.153   7.3792  136.074   6.9427 0.7910156E-01 10.13183 
1 1 1  -47    4   44 o  142.212   5.0597  143.038   9.7369  145.230   14.197  141.090   13.380  143.099   7.3209  141.326   6.9863 1.772873 10.11949 
1 1 1  -47    4   45 o  111.755   5.5115   89.187   8.3210   89.112   12.243   89.250   11.344  111.480   8.1043  112.030   7.4719 -0.5496063 11.02310 
1 1 1  -47    4   46 o   57.013   15.250   27.593   12.012   0.0000   0.0000   27.593   12.012  ?   ?    57.013   15.250      ?      ? 
1 1 1  -47    4   47 o   83.016   9.4094   54.894   10.241   48.020   14.581   61.587   14.388   76.309   14.633   89.724   11.833 -13.41494 18.81877 
1 1 1  -47    4   48 f   96.918   7.5743   74.853   9.0695   86.640   11.469   55.179   14.817  110.059   7.6898   83.777   13.052 26.28167 15.14860 
1 1 1  -47    4   49 o   99.863   6.7276   68.394   8.7662   54.876   10.774   94.869   15.078   86.547   9.1866  113.179   9.8309 -26.63202 13.45511 
1 1 1  -47    4   50 o   53.336   10.108   22.698   7.2476   18.706   9.0266   29.942   12.159   47.584   13.418   59.087   15.122 -11.50340 20.21688 
1 1 1  -47    4   51 o   78.041   8.3345   47.871   8.1607   49.482   10.285   45.135   13.408   81.977   9.2584   74.105   13.861 7.871864 16.66897 
1 1 1  -47    4   52 o   55.121   9.9706   26.768   7.4529   29.701   9.2270   21.263   12.641   61.465   11.500   48.777   16.291 12.68796 19.94127 
1 1 1  -47    4   53 o   74.023   9.9530   41.060   9.9840   41.060   9.9840   0.0000   0.0000   74.023   9.9530  ?   ?       ?      ? 
1 1 1  -47    4   54 o   62.869   11.251   35.367   9.5937   34.237   13.985   36.371   13.185   61.264   16.484   64.474   15.318 -3.210407 22.50215 
1 1 1  -47    4   55 o   66.154   11.053   39.511   9.9026   30.848   14.314   47.463   13.714   57.087   17.134   75.221   13.968 -18.13395 22.10599 
1 1 1  -47    4   56 o  110.216   8.4031   96.301   12.473   88.369   17.980  103.657   17.316  104.758   12.666  115.674   11.047 -10.91600 16.80620 
1 1 1  -47    4   57 o   69.581   11.169   43.391   10.299   49.622   15.125   38.004   14.063   74.841   15.426   64.321   16.156 10.52047 22.33776 
1 1 1  -47    4   58 o   35.151   10.497   6.9575   8.6862   3.1881   12.233   10.791   12.336   32.430   14.292   37.871   15.379 -5.440586 20.99491 
1 1 1  -47    4   59 o   76.237   10.457   51.099   10.568   46.794   15.077   55.255   14.816   71.294   15.999   81.179   13.468 -9.884659 20.91305 
1 1 1  -47    4   60 o   58.162   11.340   32.385   9.6732   22.176   13.483   43.212   13.886   47.333   16.781   68.991   15.257 -21.65790 22.67984 
1 1 1  -47    4   61 o   33.800   14.676   5.9422   12.487   0.0000   0.0000   5.9422   12.487  ?   ?    33.800   14.676      ?      ? 
1 1 1  -47    4   62 o   89.905   13.082   68.637   15.938   0.0000   0.0000   68.637   15.938  ?   ?    89.905   13.082      ?      ? 
1 1 1  -47    4   63 o   78.379   15.379   57.237   15.752   0.0000   0.0000   57.237   15.752  ?   ?    78.379   15.379      ?      ? 
1 1 1  -47    4   64 o   65.312   16.765   43.284   14.913   0.0000   0.0000   43.284   14.913  ?   ?    65.312   16.765      ?      ? 
1 1 1  -47    4   65 o   54.716   17.646   33.524   14.887   0.0000   0.0000   33.524   14.887  ?   ?    54.716   17.646      ?      ? 
1 1 1  -47    5    1 o   81.020   9.0416   47.954   9.9271   47.954   9.9271   0.0000   0.0000   81.020   9.0416  ?   ?       ?      ? 
1 1 1  -47    5    2 o   75.369   14.513   46.858   14.285   46.858   14.285   0.0000   0.0000   75.369   14.513  ?   ?       ?      ? 
1 1 1  -47    5    3 o   65.536   15.252   36.278   13.292   36.278   13.292   0.0000   0.0000   65.536   15.252  ?   ?       ?      ? 
1 1 1  -47    5    4 o   77.158   14.250   48.503   14.351   48.503   14.351   0.0000   0.0000   77.158   14.250  ?   ?       ?      ? 
1 1 1  -47    5    5 o  128.877   10.931  124.515   19.091  124.515   19.091   0.0000   0.0000  128.877   10.931  ?   ?       ?      ? 
1 1 1  -47    5    6 o   99.033   11.873   74.669   15.935   74.669   15.935   0.0000   0.0000   99.033   11.873  ?   ?       ?      ? 
1 1 1  -47    5    7 o   60.539   15.480   30.974   12.749   30.974   12.749   0.0000   0.0000   60.539   15.480  ?   ?       ?      ? 
1 1 1  -47    5    8 o   32.510   13.885   3.2119   10.828   3.2119   10.828   0.0000   0.0000   32.510   13.885  ?   ?       ?      ? 
1 1 1  -47    5    9 o   81.501   12.883   51.317   14.229   51.317   14.229   0.0000   0.0000   81.501   12.883  ?   ?       ?      ? 
1 1 1  -47    5   10 f  109.852   11.607   90.971   17.279   90.971   17.279   0.0000   0.0000  109.852   11.607  ?   ?       ?      ? 
1 1 1  -47    5   11 o   90.839   8.6938   59.409   10.702   59.409   10.702   0.0000   0.0000   90.839   8.6938  ?   ?       ?      ? 
1 1 1  -47    5   12 o   57.752   11.969   25.929   9.0593   25.929   9.0593   0.0000   0.0000   57.752   11.969  ?   ?       ?      ? 
1 1 1  -47    5   13 o   85.989   9.1384   53.509   10.649   53.509   10.649   0.0000   0.0000   85.989   9.1384  ?   ?       ?      ? 
1 1 1  -47    5   14 o   70.413   10.466   36.572   9.9862   36.572   9.9862   0.0000   0.0000   70.413   10.466  ?   ?       ?      ? 
1 1 1  -47    5   15 o   75.453   10.121   41.753   10.349   41.753   10.349   0.0000   0.0000   75.453   10.121  ?   ?       ?      ? 
1 1 1  -47    5   16 o   55.337   12.902   24.250   9.4966   24.250   9.4966   0.0000   0.0000   55.337   12.902  ?   ?       ?      ? 
1 1 1  -47    5   17 o   71.349   10.367   37.445   10.024   37.445   10.024   0.0000   0.0000   71.349   10.367  ?   ?       ?      ? 
1 1 1  -47    5   18 o   43.309   8.7085   14.981   5.6999   8.4401   8.5708   20.167   7.6324   35.420   13.251   51.198   11.303 -15.77805 17.41691 
1 1 1  -47    5   19 o  124.348   6.6760  112.325   10.704  112.840   13.306  111.379   18.022  126.061   7.7889  122.635   10.845 3.426147 13.35191 
1 1 1  -47    5   20 o  107.923   7.1197   85.214   9.8098   85.269   12.061   85.108   16.861  109.359   8.1387  106.486   11.684 2.873474 14.23948 
1 1 1  -47    5   21 o   63.591   7.7846   30.439   6.5013   29.555   9.7266   31.152   8.7406   61.837   12.040   65.345   9.8707 -3.507446 15.56920 
1 1 1  -47    5   22 o   91.442   6.3665   61.888   6.9036   63.966   8.1237   56.485   13.097   95.696   6.2644   87.187   11.085 8.509697 12.73292 
1 1 1  -47    5   23 o   53.969   8.4526   22.694   5.5085   23.194   6.4176   21.296   10.736   56.980   8.3112   50.959   14.721 6.021420 16.90514 
1 1 1  -47    5   24 o   43.707   9.1663   15.466   5.7816   17.084   7.0413   12.120   10.129   47.108   11.195   40.306   14.517 6.801838 18.33258 
1 1 1  -47    5   25 o   90.364   6.7724   60.591   7.8348   63.935   9.8153   54.718   13.007   94.990   7.6250   85.737   11.195 9.253494 13.54489 
1 1 1  -47    5   26 o   42.516   9.4521   12.764   5.8323   9.4431   7.0894   19.718   10.259   35.832   12.199   49.200   14.442 -13.36752 18.90417 
1 1 1  -47    5   27 o  110.518   6.3007   87.848   8.9422   87.684   11.042   88.160   15.243  111.432   7.3122  109.603   10.263 1.829086 12.60131 
1 1 1  -47    5   28 o  122.109   6.0158  109.457   8.7189  112.805   10.251  100.700   16.579  127.264   5.9439  116.954   10.461 10.31007 12.03160 
1 1 1  -47    5   29 o   41.459   9.2618   13.391   5.4959   13.853   6.4007   12.095   10.722   42.433   11.029   40.486   14.882 1.946835 18.52367 
1 1 1  -47    5   30 o   79.234   6.8794   46.195   6.5518   46.840   7.7297   44.548   12.348   81.571   6.9927   76.898   11.849 4.672813 13.75871 
1 1 1  -47    5   31 o   60.741   9.1342   28.884   7.2334   27.443   9.5724   30.803   11.044   59.324   12.310   62.159   13.498 -2.835274 18.26839 
1 1 1  -47    5   32 o   82.592   8.4640   54.741   8.5403   70.420   11.520   35.609   12.725   99.054   8.5822   66.131   14.591 32.92308 16.92807 
1 1 1  -47    5   33 f   67.592   8.6515   41.280   6.6288   49.402   7.9184   22.253   12.119   83.754   6.9767   51.430   15.834 32.32372 17.30293 
1 1 1  -47    5   34 o   73.749   7.8126   42.481   6.7463   45.071   8.1117   36.670   12.150   79.749   7.5060   67.750   13.704 11.99882 15.62530 
1 1 1  -47    5   35 o   51.862   8.6890   23.752   6.1748   29.080   7.4107   11.653   11.168   63.610   8.5971   40.115   15.102 23.49496 17.37799 
1 1 1  -47    5   36 o   81.022   7.1147   47.652   7.1285   46.851   8.4977   49.554   13.096   81.173   7.7252   80.872   11.950 0.3001633 14.22941 
1 1 1  -47    5   37 o  113.289   6.5934   90.123   10.122   90.123   10.122   0.0000   0.0000  113.289   6.5934  ?   ?       ?      ? 
1 1 1  -47    5   38 o   55.679   10.499   23.516   7.6314   23.516   7.6314   0.0000   0.0000   55.679   10.499  ?   ?       ?      ? 
1 1 1  -47    5   39 o   29.671   8.7574   3.3602   5.5691   3.7492   6.7074   2.4968   9.9926   28.268   11.389   31.073   13.307 -2.804714 17.51489 
1 1 1  -47    5   40 o   26.007   7.9572   0.5403   5.1449   1.5828   7.5661  -0.3562   7.0170   27.258   11.623   24.757   10.870 2.500288 15.91440 
1 1 1  -47    5   41 o   78.282   9.3857   48.873   9.4504   35.388   13.257   62.806   13.476   64.904   15.319   91.661   10.849 -26.75721 18.77141 
1 1 1  -47    5   42 o  122.635   6.4834  110.440   10.340  113.249   13.063  105.729   16.918  126.040   7.6481  119.229   10.471 6.811829 12.96672 
1 1 1  -47    5   43 o   63.983   9.2916   34.369   7.5973   39.368   9.5823   25.909   12.466   73.196   9.6605   54.770   15.875 18.42569 18.58321 
1 1 1  -47    5   44 o   78.890   7.5870   44.381   7.8569   37.953   9.7435   56.330   13.285   71.591   10.043   86.188   11.375 -14.59733 15.17392 
1 1 1  -47    5   45 o   88.437   7.2960   57.131   8.4235   54.044   10.488   62.742   14.140   86.106   8.9880   90.767   11.495 -4.661049 14.59208 
1 1 1  -47    5   46 o   77.708   8.3287   47.571   8.0914   50.437   10.249   42.831   13.182   83.045   9.1075   72.370   13.947 10.67579 16.65750 
1 1 1  -47    5   47 o   36.016   9.8326   8.3619   6.6384   6.1369   8.3899   12.087   10.856   32.299   12.830   39.734   14.903 -7.434521 19.66527 
1 1 1  -47    5   48 o   82.715   9.5086   55.747   10.181   47.135   14.916   63.258   13.930   74.436   15.298   90.994   11.297 -16.55813 19.01730 
1 1 1  -47    5   49 o   42.792   9.8003   15.472   6.9540   20.297   8.9358   8.0633   11.073   49.620   13.097   35.965   14.582 13.65487 19.60069 
1 1 1  -47    5   50 o   75.779   7.8590   42.026   7.8662   35.534   9.8651   53.359   13.034   68.469   10.632   83.089   11.576 -14.61990 15.71792 
1 1 1  -47    5   51 o   65.349   10.688   37.498   9.3533   30.670   13.612   43.605   12.874   57.961   16.525   72.738   13.559 -14.77723 21.37585 
1 1 1  -47    5   52 o   96.830   8.5009   73.525   11.120   76.038   16.470   71.420   15.074   97.904   12.414   95.757   11.617 2.147240 17.00189 
1 1 1  -47    5   53 o   72.096   10.958   45.822   10.369   43.678   15.204   47.686   14.178   69.387   16.425   74.805   14.510 -5.418213 21.91582 
1 1 1  -47    5   54 o  105.946   12.496   90.036   17.941   90.036   17.941   0.0000   0.0000  105.946   12.496  ?   ?       ?      ? 
1 1 1  -47    5   55 o   63.119   11.316   36.469   9.6888   36.510   13.905   36.431   13.508   62.914   16.209   63.324   15.794 -0.4102478 22.63170 
1 1 1  -47    5   56 f   38.950   10.648   10.880   8.6166   1.7902   12.164   20.034   12.207   31.533   14.055   46.367   16.000 -14.83472 21.29660 
1 1 1  -47    5   57 o   85.269   9.4938   60.800   10.960   64.036   15.676   57.705   15.330   87.786   13.177   82.752   13.671 5.033745 18.98751 
1 1 1  -47    5   58 o  111.540   8.3893  100.376   12.663   99.519   18.302  101.163   17.538  110.544   12.217  112.535   11.501 -1.991364 16.77856 
1 1 1  -47    5   59 o   72.810   10.830   48.893   10.565   37.694   15.046   59.788   14.839   61.136   17.354   84.485   12.961 -23.34909 21.65974 
1 1 1  -47    5   60 o   45.262   11.395   20.010   9.1609   13.427   13.095   26.321   12.820   39.195   15.870   51.329   16.357 -12.13430 22.79018 
1 1 1  -47    5   61 o   42.277   11.495   17.491   9.3704   20.600   13.118   14.253   13.389   44.998   16.473   39.555   16.036 5.442806 22.98969 
1 1 1  -47    5   62 o   50.033   17.362   27.299   14.382   0.0000   0.0000   27.299   14.382  ?   ?    50.033   17.362      ?      ? 
1 1 1  -47    5   63 o   52.592   17.722   31.171   14.962   0.0000   0.0000   31.171   14.962  ?   ?    52.592   17.722      ?      ? 
1 1 1  -47    6    1 o   69.561   14.516   40.688   13.241   40.688   13.241   0.0000   0.0000   69.561   14.516  ?   ?       ?      ? 
1 1 1  -47    6    2 o   93.286   8.0881   62.856   10.225   62.856   10.225   0.0000   0.0000   93.286   8.0881  ?   ?       ?      ? 
1 1 1  -47    6    3 o   46.080   12.494   17.194   7.9977   17.194   7.9977   0.0000   0.0000   46.080   12.494  ?   ?       ?      ? 
1 1 1  -47    6    4 o   76.175   8.9778   42.394   9.2676   42.394   9.2676   0.0000   0.0000   76.175   8.9778  ?   ?       ?      ? 
1 1 1  -47    6    5 o   57.588   11.331   25.819   8.5273   25.819   8.5273   0.0000   0.0000   57.588   11.331  ?   ?       ?      ? 
1 1 1  -47    6    6 o   88.109   8.3956   56.083   10.024   56.083   10.024   0.0000   0.0000   88.109   8.3956  ?   ?       ?      ? 
1 1 1  -47    6    7 o  184.743   6.9942  241.721   17.510  241.721   17.510   0.0000   0.0000  184.743   6.9942  ?   ?       ?      ? 
1 1 1  -47    6    8 o  118.386   7.4882   99.821   12.013   99.821   12.013   0.0000   0.0000  118.386   7.4882  ?   ?       ?      ? 
1 1 1  -47    6    9 o   43.415   12.736   15.091   7.9813   15.091   7.9813   0.0000   0.0000   43.415   12.736  ?   ?       ?      ? 
1 1 1  -47    6   10 o  129.267   7.2855  118.572   12.762  118.572   12.762   0.0000   0.0000  129.267   7.2855  ?   ?       ?      ? 
1 1 1  -47    6   11 o   78.693   9.1256   45.036   9.7316   45.036   9.7316   0.0000   0.0000   78.693   9.1256  ?   ?       ?      ? 
1 1 1  -47    6   12 o   87.467   8.6037   55.184   10.198   55.184   10.198   0.0000   0.0000   87.467   8.6037  ?   ?       ?      ? 
1 1 1  -47    6   13 o   64.565   10.498   30.937   9.1856   30.937   9.1856   0.0000   0.0000   64.565   10.498  ?   ?       ?      ? 
1 1 1  -47    6   14 o  106.608   11.651   85.975   16.833   85.975   16.833   0.0000   0.0000  106.608   11.651  ?   ?       ?      ? 
1 1 1  -47    6   15 o   87.921   12.780   59.665   15.227   59.665   15.227   0.0000   0.0000   87.921   12.780  ?   ?       ?      ? 
1 1 1  -47    6   16 o  109.069   11.899   90.265   17.587   90.265   17.587   0.0000   0.0000  109.069   11.899  ?   ?       ?      ? 
1 1 1  -47    6   17 o  131.066   11.190  128.666   19.875  128.666   19.875   0.0000   0.0000  131.066   11.190  ?   ?       ?      ? 
1 1 1  -47    6   18 o   62.566   16.467   33.676   14.151   33.676   14.151   0.0000   0.0000   62.566   16.467  ?   ?       ?      ? 
1 1 1  -47    6   19 o   86.142   9.3171   53.923   10.876   53.923   10.876   0.0000   0.0000   86.142   9.3171  ?   ?       ?      ? 
1 1 1  -47    6   20 o   43.584   13.623   15.180   8.9326   15.180   8.9326   0.0000   0.0000   43.584   13.623  ?   ?       ?      ? 
1 1 1  -47    6   21 o   76.553   10.111   43.079   10.489   43.079   10.489   0.0000   0.0000   76.553   10.111  ?   ?       ?      ? 
1 1 1  -47    6   22 o  133.831   7.8241  127.519   14.190  127.519   14.190   0.0000   0.0000  133.831   7.8241  ?   ?       ?      ? 
1 1 1  -47    6   23 f  117.541   5.9596   96.368   9.4928   96.368   9.4928   0.0000   0.0000  117.541   5.9596  ?   ?       ?      ? 
1 1 1  -47    6   24 o  116.240   5.9600   99.848   8.2519  103.680   9.7442   90.129   15.516  121.956   5.8960  110.523   10.360 11.43313 11.91996 
1 1 1  -47    6   25 o  134.355   5.6263  131.371   9.1052  134.992   10.781  122.360   17.005  139.277   5.7120  129.432   9.6951 9.844788 11.25262 
1 1 1  -47    6   26 o   77.268   6.6905   42.173   6.2366   40.645   7.2768   46.402   12.104   75.889   7.0759   78.648   11.357 -2.759544 13.38107 
1 1 1  -47    6   27 o   34.080   8.9004   6.8425   4.9788   5.0366   5.8484   11.597   9.4899   28.847   10.913   39.314   14.063 -10.46661 17.80075 
1 1 1  -47    6   28 o   83.068   6.5855   49.096   6.7065   47.690   7.9183   52.664   12.614   82.178   7.1104   83.958   11.087 -1.780228 13.17097 
1 1 1  -47    6   29 o  101.971   5.9515   71.108   7.4378   66.604   8.7073   83.264   14.305   97.385   6.5980  106.557   9.9069 -9.172012 11.90290 
1 1 1  -47    6   30 o  139.547   5.5878  135.256   9.4725  130.766   11.095  147.330   18.193  136.875   5.9817  142.219   9.4400 -5.343445 11.17557 
1 1 1  -47    6   31 o  116.518   5.9632   95.911   8.4703   93.823   9.9744  101.313   16.040  115.708   6.3612  117.329   10.088 -1.621620 11.92639 
1 1 1  -47    6   32 o   66.297   8.7685   38.019   6.6911   43.159   7.9437   25.464   12.415   77.955   7.5196   54.640   15.843 23.31480 17.53709 
1 1 1  -47    6   33 o  108.524   6.5374   83.148   9.4721   69.917   12.228  102.996   14.977   98.083   9.1999  118.965   9.2903 -20.88246 13.07475 
1 1 1  -47    6   34 o   66.598   8.1288   35.452   6.4082   38.113   7.7365   29.637   11.438   73.097   7.8102   60.099   14.259 12.99844 16.25761 
1 1 1  -47    6   35 o   69.088   7.8565   36.263   6.5587   36.466   7.9107   35.816   11.731   71.307   8.1866   66.870   13.412 4.437050 15.71301 
1 1 1  -47    6   36 o   64.107   9.5720   32.863   8.2506   23.792   11.392   42.871   11.966   53.111   15.108   75.103   11.757 -21.99171 19.14393 
1 1 1  -47    6   37 o  106.355   7.3722   84.008   10.620   87.593   15.212   80.600   14.833  108.651   10.332  104.059   10.519 4.592194 14.74441 
1 1 1  -47    6   38 o   42.068   9.8329   14.246   6.4552   14.971   8.1348   13.013   10.608   43.204   12.905   40.931   14.839 2.273552 19.66582 
1 1 1  -47    6   39 o  105.588   7.9616   79.910   11.392   79.910   11.392   0.0000   0.0000  105.588   7.9616  ?   ?       ?      ? 
1 1 1  -47    6   40 o  166.210   7.1693  196.088   16.148  196.088   16.148   0.0000   0.0000  166.210   7.1693  ?   ?       ?      ? 
1 1 1  -47    6   41 o   89.157   7.1597   58.980   8.3441   58.852   10.540   59.196   13.658   90.097   8.6325   88.217   11.425 1.879776 14.31947 
1 1 1  -47    6   42 o   71.951   7.9796   38.058   7.5249   34.479   9.3567   44.610   12.661   68.070   10.143   75.832   12.321 -7.761574 15.95924 
1 1 1  -47    6   43 o   75.245   8.3284   44.827   7.9064   48.553   10.191   39.191   12.531   81.341   9.2452   69.150   13.856 12.19167 16.65686 
1 1 1  -47    6   44 o   63.082   9.1159   33.802   7.5100   41.901   9.8485   22.550   11.609   75.241   9.6591   50.924   15.463 24.31704 18.23180 
1 1 1  -47    6   45 o   82.996   7.7391   52.876   8.4013   55.088   10.781   49.456   13.407   86.552   9.1915   79.441   12.454 7.110687 15.47820 
1 1 1  -47    6   46 o   62.769   9.3379   33.402   7.6507   38.568   9.8543   25.564   12.139   71.741   10.136   53.797   15.686 17.94371 18.67580 
1 1 1  -47    6   47 o   36.696   9.8679   4.7276   7.8190   20.624   11.911  -7.3096   10.365   48.263   15.799   25.129   11.827 23.13436 19.73587 
1 1 1  -47    6   48 o   66.068   10.508   37.861   9.4993   27.908   13.603   47.334   13.271   54.997   16.747   77.139   12.695 -22.14186 21.01552 
1 1 1  -47    6   49 o   92.634   11.985   67.385   15.044   0.0000   0.0000   67.385   15.044  ?   ?    92.634   11.985      ?      ? 
1 1 1  -47    6   50 o   57.319   11.385   30.131   9.3785   24.343   13.328   35.807   13.199   51.047   16.713   63.591   15.465 -12.54461 22.77079 
1 1 1  -47    6   51 o   92.593   8.8837   68.787   11.143   69.471   15.996   68.143   15.531   92.871   12.710   92.315   12.415 0.5557938 17.76734 
1 1 1  -47    6   52 o   62.084   11.341   35.363   9.6173   34.053   13.929   36.557   13.295   60.343   16.541   63.825   15.521 -3.481796 22.68278 
1 1 1  -47    6   53 o   70.167   10.836   43.867   10.014   43.059   14.299   44.645   14.030   69.154   15.626   71.180   15.017 -2.026253 21.67210 
1 1 1  -47    6   54 f   29.821   9.6241  -1.6680   8.5394  -4.6890   11.261   2.4194   13.099   27.046   12.598   32.597   14.553 -5.550432 19.24826 
1 1 1  -47    6   55 o   31.215   13.866   2.2292   11.737   2.2292   11.737   0.0000   0.0000   31.215   13.866  ?   ?       ?      ? 
1 1 1  -47    6   56 o   57.369   11.604   31.756   9.5274   27.443   13.082   36.627   13.903   52.892   16.479   61.845   16.343 -8.952641 23.20868 
1 1 1  -47    6   57 o   59.610   11.855   35.342   10.108   40.674   14.284   29.993   14.307   65.218   16.228   54.001   17.286 11.21763 23.70976 
1 1 1  -47    6   58 o   60.243   11.763   35.983   9.9242   33.445   13.710   38.777   14.384   57.874   16.611   62.611   16.661 -4.736984 23.52681 
1 1 1  -47    6   59 o   31.993   9.8488   1.4654   8.6949   13.457   12.356 -10.2984   12.238   38.776   15.515   25.211   12.135 13.56563 19.69752 
1 1 1  -47    6   60 o   30.582   9.7514   0.5802   8.7399  -6.3198   12.035   8.2784   12.713   26.418   12.527   34.747   14.948 -8.328455 19.50283 
1 1 1  -47    6   61 o   29.826   9.6477   0.5323   8.7559  -1.7977   12.173   3.0299   12.604   28.409   13.188   31.244   14.085 -2.834816 19.29536 
1 1 1  -47    7    1 o   63.616   9.9378   30.485   8.5673   30.485   8.5673   0.0000   0.0000   63.616   9.9378  ?   ?       ?      ? 
1 1 1  -47    7    2 o   31.236   12.095   6.3013   7.2969   6.3013   7.2969   0.0000   0.0000   31.236   12.095  ?   ?       ?      ? 
1 1 1  -47    7    3 o   38.965   12.681   12.252   7.6777   12.252   7.6777   0.0000   0.0000   38.965   12.681  ?   ?       ?      ? 
1 1 1  -47    7    4 o   91.431   8.3401   60.828   10.333   60.828   10.333   0.0000   0.0000   91.431   8.3401  ?   ?       ?      ? 
1 1 1  -47    7    5 o   60.608   10.934   28.537   8.6495   28.537   8.6495   0.0000   0.0000   60.608   10.934  ?   ?       ?      ? 
1 1 1  -47    7    6 o  123.674   7.5569  109.703   12.665  109.703   12.665   0.0000   0.0000  123.674   7.5569  ?   ?       ?      ? 
1 1 1  -47    7    7 f   94.858   8.5119   65.423   10.942   65.423   10.942   0.0000   0.0000   94.858   8.5119  ?   ?       ?      ? 
1 1 1  -47    7    8 o   77.464   9.1910   44.071   9.6482   44.071   9.6482   0.0000   0.0000   77.464   9.1910  ?   ?       ?      ? 
1 1 1  -47    7    9 o  114.592   7.7360   94.188   12.013   94.188   12.013   0.0000   0.0000  114.592   7.7360  ?   ?       ?      ? 
1 1 1  -47    7   10 o   78.053   9.4338   44.831   9.9784   44.831   9.9784   0.0000   0.0000   78.053   9.4338  ?   ?       ?      ? 
1 1 1  -47    7   11 o   63.056   10.356   29.701   8.8489   29.701   8.8489   0.0000   0.0000   63.056   10.356  ?   ?       ?      ? 
1 1 1  -47    7   12 o  100.873   8.1770   73.302   11.178   73.302   11.178   0.0000   0.0000  100.873   8.1770  ?   ?       ?      ? 
1 1 1  -47    7   13 o  108.803   7.9852   84.998   11.774   84.998   11.774   0.0000   0.0000  108.803   7.9852  ?   ?       ?      ? 
1 1 1  -47    7   14 o   88.893   8.7165   57.315   10.500   57.315   10.500   0.0000   0.0000   88.893   8.7165  ?   ?       ?      ? 
1 1 1  -47    7   15 o  125.306   7.6165  112.072   12.933  112.072   12.933   0.0000   0.0000  125.306   7.6165  ?   ?       ?      ? 
1 1 1  -47    7   16 o  101.950   8.3574   74.922   11.546   74.922   11.546   0.0000   0.0000  101.950   8.3574  ?   ?       ?      ? 
1 1 1  -47    7   17 o   98.805   8.3096   70.299   11.126   70.299   11.126   0.0000   0.0000   98.805   8.3096  ?   ?       ?      ? 
1 1 1  -47    7   18 o   59.059   11.608   27.139   8.9589   27.139   8.9589   0.0000   0.0000   59.059   11.608  ?   ?       ?      ? 
1 1 1  -47    7   19 o   58.299   11.562   26.424   8.8119   26.424   8.8119   0.0000   0.0000   58.299   11.562  ?   ?       ?      ? 
1 1 1  -47    7   20 o   98.148   8.4485   69.452   11.237   69.452   11.237   0.0000   0.0000   98.148   8.4485  ?   ?       ?      ? 
1 1 1  -47    7   21 o  133.256   7.5530  126.462   13.639  126.462   13.639   0.0000   0.0000  133.256   7.5530  ?   ?       ?      ? 
1 1 1  -47    7   22 o   96.007   8.6786   66.658   11.291   66.658   11.291   0.0000   0.0000   96.007   8.6786  ?   ?       ?      ? 
1 1 1  -47    7   23 o  134.052   7.7202  128.240   14.024  128.240   14.024   0.0000   0.0000  134.052   7.7202  ?   ?       ?      ? 
1 1 1  -47    7   24 o  119.145   8.1276  101.859   13.123  101.859   13.123   0.0000   0.0000  119.145   8.1276  ?   ?       ?      ? 
1 1 1  -47    7   25 o   94.470   9.0766   64.923   11.620   64.923   11.620   0.0000   0.0000   94.470   9.0766  ?   ?       ?      ? 
1 1 1  -47    7   26 o  127.618   8.0374  116.733   13.900  116.733   13.900   0.0000   0.0000  127.618   8.0374  ?   ?       ?      ? 
1 1 1  -47    7   27 o   96.099   8.8852   67.007   11.571   67.007   11.571   0.0000   0.0000   96.099   8.8852  ?   ?       ?      ? 
1 1 1  -47    7   28 o   56.201   12.501   25.109   9.2751   25.109   9.2751   0.0000   0.0000   56.201   12.501  ?   ?       ?      ? 
1 1 1  -47    7   29 o   42.660   9.3830   12.729   5.4936   9.9696   6.4159   20.311   10.635   36.110   11.578   49.209   14.769 -13.09887 18.76603 
1 1 1  -47    7   30 f   89.680   6.4979   57.572   7.0732   56.191   8.3095   61.207   13.478   89.170   6.8766   90.190   11.028 -1.019798 12.99588 
1 1 1  -47    7   31 o  111.388   6.4926   91.531   9.2646   94.012   11.516   86.980   15.598  114.955   7.3925  107.822   10.676 7.132538 12.98520 
1 1 1  -47    7   32 o  115.295   7.1473   98.685   11.143  101.940   15.472   95.175   16.063  117.663   9.7033  112.927   10.497 4.735748 14.29454 
1 1 1  -47    7   33 f   85.152   7.4303   54.552   8.1294   55.648   10.130   52.570   13.625   87.717   8.5222   82.586   12.174 5.130455 14.86056 
1 1 1  -47    7   34 o  110.348   7.8296   90.924   11.639  102.887   17.638   81.696   15.491  116.612   11.162  104.085   10.983 12.52773 15.65910 
1 1 1  -47    7   35 o  106.059   7.8851   85.122   11.266   85.624   16.840   84.716   15.159  105.722   11.754  106.396   10.514 -0.6735153 15.77020 
1 1 1  -47    7   36 o   75.218   7.5171   41.213   7.4071   37.720   9.2149   47.590   12.452   71.589   9.4986   78.846   11.654 -7.256859 15.03428 
1 1 1  -47    7   37 o   93.937   6.7072   63.512   8.2987   58.925   10.428   71.435   13.705   90.133   8.5374   97.742   10.347 -7.609612 13.41444 
1 1 1  -47    7   38 o  117.926   6.1564   98.102   9.5122   89.588   11.825  113.714   16.012  111.696   7.8122  124.156   9.5170 -12.45995 12.31280 
1 1 1  -47    7   39 o   80.594   7.5702   48.360   7.9991   46.400   10.053   51.742   13.205   79.379   9.3460   81.809   11.912 -2.429413 15.14044 
1 1 1  -47    7   40 o  114.013   7.8450   93.547   12.121   93.547   12.121   0.0000   0.0000  114.013   7.8450  ?   ?       ?      ? 
1 1 1  -47    7   41 o  129.417   7.5709  120.156   13.278  120.156   13.278   0.0000   0.0000  129.417   7.5709  ?   ?       ?      ? 
1 1 1  -47    7   42 o   68.112   10.371   38.987   9.3063   47.425   13.756   31.865   12.637   75.774   13.909   60.450   15.387 15.32413 20.74179 
1 1 1  -47    7   43 o   79.893   9.4601   51.583   9.9428   59.812   14.482   44.246   13.675   87.255   12.248   72.530   14.421 14.72478 18.92019 
1 1 1  -47    7   44 o   36.777   10.197   8.5553   7.7336   15.164   11.131   2.3867   10.753   42.420   15.224   31.134   13.569 11.28567 20.39341 
1 1 1  -47    7   45 o   33.558   9.9020   5.0045   7.7131   10.447   11.032  -0.1993   10.788   37.701   14.795   29.416   13.164 8.284857 19.80409 
1 1 1  -47    7   46 o   60.038   11.044   32.171   9.1533   37.815   13.183   26.917   12.719   65.842   15.097   54.235   16.123 11.60705 22.08736 
1 1 1  -47    7   47 o   66.308   10.492   37.910   9.6928   54.847   14.303   23.525   13.181   82.483   12.796   50.132   16.631 32.35107 20.98358 
1 1 1  -47    7   48 f   85.638   9.1493   59.600   10.606   58.714   15.251   60.430   14.759   84.620   13.300   86.656   12.568 -2.036278 18.29854 
1 1 1  -47    7   49 o  116.616   8.2411  107.741   12.952  101.321   18.822  113.515   17.851  112.250   12.374  120.981   10.888 -8.731102 16.48219 
1 1 1  -47    7   50 o   51.738   16.401   25.490   12.904   0.0000   0.0000   25.490   12.904  ?   ?    51.738   16.401      ?      ? 
1 1 1  -47    7   51 o   69.767   10.228   43.372   10.025   20.508   13.747   69.340   14.651   46.129   16.867   93.405   11.575 -47.27640 20.45678 
1 1 1  -47    7   52 o   75.398   10.576   50.344   10.574   40.537   14.650   61.007   15.277   65.282   16.540   85.513   13.183 -20.23070 21.15127 
1 1 1  -47    7   53 o   75.753   10.672   51.595   10.570   48.750   14.852   54.516   15.046   73.080   15.478   78.426   14.697 -5.346123 21.34442 
1 1 1  -47    7   54 o   50.504   11.731   25.415   9.3166   22.423   12.886   28.691   13.486   47.516   16.437   53.493   16.742 -5.976570 23.46193 
1 1 1  -47    7   55 o   59.371   16.503   34.838   13.756   34.838   13.756   0.0000   0.0000   59.371   16.503  ?   ?       ?      ? 
1 1 1  -47    7   56 o   56.192   16.637   32.019   13.565   32.019   13.565   0.0000   0.0000   56.192   16.637  ?   ?       ?      ? 
1 1 1  -47    7   57 o   89.212   9.5459   69.384   11.523   64.940   16.055   74.105   16.549   85.810   13.807   92.614   13.186 -6.803215 19.09175 
1 1 1  -47    7   58 o   62.940   10.849   38.847   10.507   19.332   14.384   61.174   15.386   42.765   16.858   83.116   13.660 -40.35113 21.69794 
1 1 1  -47    8    1 o   53.250   11.858   23.227   8.3375   23.227   8.3375   0.0000   0.0000   53.250   11.858  ?   ?       ?      ? 
1 1 1  -47    8    2 o   48.653   12.381   19.717   8.1831   19.717   8.1831   0.0000   0.0000   48.653   12.381  ?   ?       ?      ? 
1 1 1  -47    8    3 o   76.975   9.2557   44.312   9.6547   44.312   9.6547   0.0000   0.0000   76.975   9.2557  ?   ?       ?      ? 
1 1 1  -47    8    4 o   60.953   11.013   29.312   8.7621   29.312   8.7621   0.0000   0.0000   60.953   11.013  ?   ?       ?      ? 
1 1 1  -47    8    5 o   60.426   10.836   28.630   8.5468   28.630   8.5468   0.0000   0.0000   60.426   10.836  ?   ?       ?      ? 
1 1 1  -47    8    6 o   28.231   11.780   3.3066   7.5034   3.3066   7.5034   0.0000   0.0000   28.231   11.780  ?   ?       ?      ? 
1 1 1  -47    8    7 f   75.281   9.1482   42.005   9.3326   42.005   9.3326   0.0000   0.0000   75.281   9.1482  ?   ?       ?      ? 
1 1 1  -47    8    8 o   92.983   8.3346   63.074   10.502   63.074   10.502   0.0000   0.0000   92.983   8.3346  ?   ?       ?      ? 
1 1 1  -47    8    9 o   50.637   12.533   21.001   8.5537   21.001   8.5537   0.0000   0.0000   50.637   12.533  ?   ?       ?      ? 
1 1 1  -47    8   10 o   63.760   10.227   30.637   8.8367   30.637   8.8367   0.0000   0.0000   63.760   10.227  ?   ?       ?      ? 
1 1 1  -47    8   11 o   38.787   13.018   12.063   8.0731   12.063   8.0731   0.0000   0.0000   38.787   13.018  ?   ?       ?      ? 
1 1 1  -47    8   12 o   47.166   12.731   18.254   8.3262   18.254   8.3262   0.0000   0.0000   47.166   12.731  ?   ?       ?      ? 
1 1 1  -47    8   13 o   52.218   12.476   22.120   8.7071   22.120   8.7071   0.0000   0.0000   52.218   12.476  ?   ?       ?      ? 
1 1 1  -47    8   14 o   51.674   12.406   21.608   8.5776   21.608   8.5776   0.0000   0.0000   51.674   12.406  ?   ?       ?      ? 
1 1 1  -47    8   15 o   24.068   10.813  -1.6397   7.3548  -1.6397   7.3548   0.0000   0.0000   24.068   10.813  ?   ?       ?      ? 
1 1 1  -47    8   16 o   66.157   10.251   32.801   9.1903   32.801   9.1903   0.0000   0.0000   66.157   10.251  ?   ?       ?      ? 
1 1 1  -47    8   17 o   58.248   11.650   26.726   8.8746   26.726   8.8746   0.0000   0.0000   58.248   11.650  ?   ?       ?      ? 
1 1 1  -47    8   18 o   54.017   12.647   23.613   9.0948   23.613   9.0948   0.0000   0.0000   54.017   12.647  ?   ?       ?      ? 
1 1 1  -47    8   19 o   81.917   9.2037   49.290   10.217   49.290   10.217   0.0000   0.0000   81.917   9.2037  ?   ?       ?      ? 
1 1 1  -47    8   20 o  104.789   8.3092   79.482   11.799   79.482   11.799   0.0000   0.0000  104.789   8.3092  ?   ?       ?      ? 
1 1 1  -47    8   21 o   40.774   15.758   12.686   12.366   12.686   12.366   0.0000   0.0000   40.774   15.758  ?   ?       ?      ? 
1 1 1  -47    8   22 o   83.673   13.366   55.778   15.155   55.778   15.155   0.0000   0.0000   83.673   13.366  ?   ?       ?      ? 
1 1 1  -47    8   23 o  122.044   11.491  114.025   19.004  114.025   19.004   0.0000   0.0000  122.044   11.491  ?   ?       ?      ? 
1 1 1  -47    8   24 o  103.570   12.251   83.407   17.195   83.407   17.195   0.0000   0.0000  103.570   12.251  ?   ?       ?      ? 
1 1 1  -47    8   25 o   92.153   12.676   66.640   15.830   66.640   15.830   0.0000   0.0000   92.153   12.676  ?   ?       ?      ? 
1 1 1  -47    8   26 o   45.449   16.164   17.651   12.520   17.651   12.520   0.0000   0.0000   45.449   16.164  ?   ?       ?      ? 
1 1 1  -47    8   29 o   81.504   13.415   53.087   14.816   53.087   14.816   0.0000   0.0000   81.504   13.415  ?   ?       ?      ? 
1 1 1  -47    8   30 o   40.629   15.486   12.809   11.832   12.809   11.832   0.0000   0.0000   40.629   15.486  ?   ?       ?      ? 
1 1 1  -47    8   31 o   68.329   15.415   40.133   13.934   40.133   13.934   0.0000   0.0000   68.329   15.415  ?   ?       ?      ? 
1 1 1  -47    8   32 o   48.017   16.069   20.310   12.300   20.310   12.300   0.0000   0.0000   48.017   16.069  ?   ?       ?      ? 
1 1 1  -47    8   33 o   33.959   14.383   5.1810   11.448   5.1810   11.448   0.0000   0.0000   33.959   14.383  ?   ?       ?      ? 
1 1 1  -47    8   34 o   54.553   16.351   26.839   13.042   26.839   13.042   0.0000   0.0000   54.553   16.351  ?   ?       ?      ? 
1 1 1  -47    8   35 f   28.810   8.5467   2.1599   6.0951   7.2021   7.4046  -8.4368   10.734   32.502   12.284   25.118   11.887 7.384241 17.09343 
1 1 1  -47    8   36 o   37.696   14.676   10.349   10.788   0.0000   0.0000   10.349   10.788  ?   ?    37.696   14.676      ?      ? 
1 1 1  -47    8   37 o   43.088   10.171   15.116   7.6207   23.091   10.536   6.3668   11.036   51.805   14.458   34.371   14.310 17.43339 20.34195 
1 1 1  -47    8   38 o   48.950   10.785   21.035   8.0319   17.091   11.239   25.150   11.482   44.430   15.352   53.471   15.153 -9.041470 21.57072 
1 1 1  -47    8   39 o   92.935   8.2483   67.225   10.366   73.009   14.907   61.809   14.424   97.153   11.322   88.718   11.998 8.434853 16.49667 
1 1 1  -47    8   40 o   54.995   11.236   27.387   8.8445   27.335   12.467   27.440   12.549   54.970   15.859   55.019   15.922 -0.4932022E-01 22.47237 
1 1 1  -47    8   41 o   44.158   15.609   17.148   11.658   17.148   11.658   0.0000   0.0000   44.158   15.609  ?   ?       ?      ? 
1 1 1  -47    8   42 f   62.920   15.291   35.058   12.910   35.058   12.910   0.0000   0.0000   62.920   15.291  ?   ?       ?      ? 
1 1 1  -47    8   43 o   58.316   11.243   31.385   9.2901   36.684   12.905   25.686   13.384   64.570   15.030   52.062   16.725 12.50747 22.48652 
1 1 1  -47    8   44 o   81.239   9.6112   54.796   10.329   49.714   14.208   60.492   15.042   76.254   14.275   86.224   12.874 -9.970634 19.22234 
1 1 1  -47    8   45 o   44.070   10.693   13.966   8.8461   0.7259   11.764   31.198   13.420   30.598   13.716   57.542   16.409 -26.94329 21.38641 
1 1 1  -47    8   46 o   49.260   11.489   22.414   9.0027   16.846   12.021   29.524   13.585   43.157   15.774   55.363   16.709 -12.20598 22.97838 
1 1 1  -47    8   47 o   67.865   10.927   41.631   9.8429   36.770   13.599   46.978   14.264   62.952   15.929   72.778   14.963 -9.826324 21.85440 
1 1 1  -47    8   48 o   59.802   11.603   34.297   9.7007   35.554   13.409   32.918   14.051   61.625   15.938   57.980   16.868 3.645309 23.20625 
1 1 1  -47    8   49 o   49.124   11.738   23.913   9.3190   25.466   12.864   22.198   13.518   50.976   16.399   47.271   16.798 3.704510 23.47570 
1 1 1  -47    8   50 o   68.611   16.141   44.532   14.757   0.0000   0.0000   44.532   14.757  ?   ?    68.611   16.141      ?      ? 
1 1 1  -47    8   51 o   39.149   15.893   13.300   13.170   0.0000   0.0000   13.300   13.170  ?   ?    39.149   15.893      ?      ? 
1 1 1  -47    8   52 o   48.870   10.654   19.892   9.3890   2.4770   12.542   42.095   14.161   31.441   14.123   66.299   15.955 -34.85808 21.30808 
1 1 1  -47    8   53 o   55.711   11.873   31.815   9.8486   25.819   13.546   38.540   14.345   49.593   16.862   61.830   16.719 -12.23623 23.74552 
1 1 1  -47    8   54 o   57.508   11.637   33.507   10.036   22.295   13.631   46.778   14.831   45.825   16.790   69.191   16.117 -23.36661 23.27344 
1 1 1  -47    8   55 o   70.226   11.870   49.715   11.135   44.706   15.114   55.660   16.467   66.038   16.838   74.414   16.736 -8.375717 23.73992 
1 1 1  -47    9    1 o   55.486   16.370   30.415   13.152   30.415   13.152   0.0000   0.0000   55.486   16.370  ?   ?       ?      ? 
1 1 1  -47    9    2 o   66.392   16.508   42.477   14.789   42.477   14.789   0.0000   0.0000   66.392   16.508  ?   ?       ?      ? 
1 1 1  -47    9    3 o   45.710   15.969   20.069   12.177   20.069   12.177   0.0000   0.0000   45.710   15.969  ?   ?       ?      ? 
1 1 1  -47    9    4 o   30.514   13.353   2.9397   10.510   2.9397   10.510   0.0000   0.0000   30.514   13.353  ?   ?       ?      ? 
1 1 1  -47    9    5 o   39.971   15.229   13.800   11.439   13.800   11.439   0.0000   0.0000   39.971   15.229  ?   ?       ?      ? 
1 1 1  -47    9    6 o   29.562   13.208   0.8238   10.813   0.8238   10.813   0.0000   0.0000   29.562   13.208  ?   ?       ?      ? 
1 1 1  -47    9    7 o   68.648   15.423   42.432   13.997   42.432   13.997   0.0000   0.0000   68.648   15.423  ?   ?       ?      ? 
1 1 1  -47    9    8 o   75.248   14.561   49.163   14.311   49.163   14.311   0.0000   0.0000   75.248   14.561  ?   ?       ?      ? 
1 1 1  -47    9    9 o  107.763   11.730   92.055   17.130   92.055   17.130   0.0000   0.0000  107.763   11.730  ?   ?       ?      ? 
1 1 1  -47    9   10 o   89.956   12.899   65.928   15.724   65.928   15.724   0.0000   0.0000   89.956   12.899  ?   ?       ?      ? 
1 1 1  -47    9   11 o   54.003   16.241   27.214   12.852   27.214   12.852   0.0000   0.0000   54.003   16.241  ?   ?       ?      ? 
1 1 1  -47    9   12 o   39.147   15.540   11.938   12.301   11.938   12.301   0.0000   0.0000   39.147   15.540  ?   ?       ?      ? 
1 1 1  -47    9   13 o   50.290   16.548   23.696   13.061   23.696   13.061   0.0000   0.0000   50.290   16.548  ?   ?       ?      ? 
1 1 1  -47    9   14 o   58.859   16.466   32.093   13.648   32.093   13.648   0.0000   0.0000   58.859   16.466  ?   ?       ?      ? 
1 1 1  -47    9   15 o   73.027   15.160   46.413   14.511   46.413   14.511   0.0000   0.0000   73.027   15.160  ?   ?       ?      ? 
1 1 1  -47    9   16 o   38.694   15.683   10.890   12.802   10.890   12.802   0.0000   0.0000   38.694   15.683  ?   ?       ?      ? 
1 1 1  -47    9   17 o   73.712   14.900   46.776   14.371   46.776   14.371   0.0000   0.0000   73.712   14.900  ?   ?       ?      ? 
1 1 1  -47    9   18 o   54.082   16.527   27.092   13.231   27.092   13.231   0.0000   0.0000   54.082   16.527  ?   ?       ?      ? 
1 1 1  -47    9   19 o   56.930   16.340   29.710   13.266   29.710   13.266   0.0000   0.0000   56.930   16.340  ?   ?       ?      ? 
1 1 1  -47    9   20 o   52.112   16.429   25.016   12.961   25.016   12.961   0.0000   0.0000   52.112   16.429  ?   ?       ?      ? 
1 1 1  -47    9   21 o   34.184   14.462   5.7855   11.554   5.7855   11.554   0.0000   0.0000   34.184   14.462  ?   ?       ?      ? 
1 1 1  -47    9   22 o   78.270   14.651   52.033   14.968   52.033   14.968   0.0000   0.0000   78.270   14.651  ?   ?       ?      ? 
1 1 1  -47    9   25 o   74.779   14.830   47.830   14.498   47.830   14.498   0.0000   0.0000   74.779   14.830  ?   ?       ?      ? 
1 1 1  -47    9   26 o   37.225   14.997   9.5878   11.630   9.5878   11.630   0.0000   0.0000   37.225   14.997  ?   ?       ?      ? 
1 1 1  -47    9   27 o   44.625   15.780   17.494   11.916   17.494   11.916   0.0000   0.0000   44.625   15.780  ?   ?       ?      ? 
1 1 1  -47    9   42 o   41.586   15.676   15.513   12.039   15.513   12.039   0.0000   0.0000   41.586   15.676  ?   ?       ?      ? 
1 1 1  -47    9   43 o   40.601   10.738   14.209   8.6213   20.899   11.373   5.1719   13.218   47.177   15.438   34.026   14.930 13.15147 21.47688 
1 1 1  -47    9   44 o   51.119   11.563   25.668   9.1871   29.870   12.949   21.409   13.036   55.582   16.199   46.655   16.505 8.927322 23.12611 
1 1 1  -47    9   45 o   93.622   8.9148   72.888   11.188   83.139   15.844   62.691   15.802  101.653   11.501   85.590   13.624 16.06290 17.82954 
1 1 1  -47    9   46 o   53.919   11.516   28.584   9.3229   22.150   12.852   35.730   13.544   47.067   16.408   60.771   16.165 -13.70423 23.03283 
1 1 1  -47    9   47 o   50.487   11.306   24.631   9.1181   15.681   12.373   35.269   13.489   40.906   15.775   60.068   16.200 -19.16147 22.61198 
1 1 1  -47    9   48 o   36.816   10.312   7.9274   8.4831  -3.5169   11.461   21.793   12.616   27.254   12.700   46.378   16.251 -19.12403 20.62460 
1 1 1  -47    9   49 o   37.142   10.188   8.8057   8.5871   22.425   11.986  -5.5558   12.308   47.208   15.863   27.076   12.788 20.13119 20.37516 
1 1 1  -47    9   50 o   56.076   11.881   32.966   9.8454   37.224   13.907   28.689   13.939   60.560   16.498   51.592   17.102 8.968166 23.76262 
1 1 1  -47    9   51 o   37.317   15.611   12.222   13.224   0.0000   0.0000   12.222   13.224  ?   ?    37.317   15.611      ?      ? 
1 1 1  -47   10    1 o   65.307   15.740   41.928   13.766   41.928   13.766   0.0000   0.0000   65.307   15.740  ?   ?       ?      ? 
1 1 1  -47   10    2 o   42.398   15.919   18.262   12.392   18.262   12.392   0.0000   0.0000   42.398   15.919  ?   ?       ?      ? 
1 1 1  -47   10    3 o   74.638   14.611   51.162   14.249   51.162   14.249   0.0000   0.0000   74.638   14.611  ?   ?       ?      ? 
1 1 1  -47   10    4 o   40.804   15.500   15.973   11.829   15.973   11.829   0.0000   0.0000   40.804   15.500  ?   ?       ?      ? 
1 1 1  -47   10    5 o   72.788   14.743   48.448   14.044   48.448   14.044   0.0000   0.0000   72.788   14.743  ?   ?       ?      ? 
1 1 1  -47   10    6 o   48.114   16.182   23.298   12.473   23.298   12.473   0.0000   0.0000   48.114   16.182  ?   ?       ?      ? 
1 1 1  -47   10    7 o   48.003   16.216   23.063   12.526   23.063   12.526   0.0000   0.0000   48.003   16.216  ?   ?       ?      ? 
1 1 1  -47   10    8 o   80.830   14.448   58.124   15.245   58.124   15.245   0.0000   0.0000   80.830   14.448  ?   ?       ?      ? 
1 1 1  -47   10    9 o   60.587   15.855   34.963   13.168   34.963   13.168   0.0000   0.0000   60.587   15.855  ?   ?       ?      ? 
1 1 1  -47   10   10 o   56.912   16.186   31.389   13.076   31.389   13.076   0.0000   0.0000   56.912   16.186  ?   ?       ?      ? 
1 1 1  -47   10   11 o   87.582   13.134   64.458   15.588   64.458   15.588   0.0000   0.0000   87.582   13.134  ?   ?       ?      ? 
1 1 1  -46    0    1 o  176.518   6.7288  215.533   16.042   0.0000   0.0000  215.533   16.042  176.518   6.7288  176.518   6.7288 -0.000000 0.000000 
1 1 1  -46    0    2 o   33.819   15.486   12.077   7.7444   0.0000   0.0000   12.077   7.7444   33.819   15.486   33.819   15.486 -0.000000 0.000000 
1 1 1  -46    0    3 o  146.042   6.8917  147.911   13.570   0.0000   0.0000  147.911   13.570  146.042   6.8917  146.042   6.8917 -0.000000 0.000000 
1 1 1  -46    0    4 f  111.007   7.3544   86.153   10.952   0.0000   0.0000   86.153   10.952  111.007   7.3544  111.007   7.3544 -0.000000 0.000000 
1 1 1  -46    0    5 o  104.197   7.7807   76.304   10.846   0.0000   0.0000   76.304   10.846  104.197   7.7807  104.197   7.7807 -0.000000 0.000000 
1 1 1  -46    0    6 o  210.714   6.7545  306.485   19.242   0.0000   0.0000  306.485   19.242  210.714   6.7545  210.714   6.7545 -0.000000 0.000000 
1 1 1  -46    0    7 o   78.406   8.9908   44.344   9.2275   0.0000   0.0000   44.344   9.2275   78.406   8.9908   78.406   8.9908 -0.000000 0.000000 
1 1 1  -46    0    8 o  150.195   6.8624  156.215   13.901   0.0000   0.0000  156.215   13.901  150.195   6.8624  150.195   6.8624 -0.000000 0.000000 
1 1 1  -46    0    9 o   72.405   9.8308   38.468   9.1441   0.0000   0.0000   38.468   9.1441   72.405   9.8308   72.405   9.8308 -0.000000 0.000000 
1 1 1  -46    0   10 o   49.229   14.688   21.143   8.5311   0.0000   0.0000   21.143   8.5311   49.229   14.688   49.229   14.688 -0.000000 0.000000 
1 1 1  -46    0   11 o   70.530   10.134   36.736   9.1056   0.0000   0.0000   36.736   9.1056   70.530   10.134   70.530   10.134 -0.000000 0.000000 
1 1 1  -46    0   12 o   67.878   10.576   34.384   9.0244   0.0000   0.0000   34.384   9.0244   67.878   10.576   67.878   10.576 -0.000000 0.000000 
1 1 1  -46    0   13 o   94.734   8.3779   63.551   10.562   0.0000   0.0000   63.551   10.562   94.734   8.3779   94.734   8.3779 -0.000000 0.000000 
1 1 1  -46    0   14 o   57.811   18.540   30.599   12.811   0.0000   0.0000   30.599   12.811   57.811   18.540   57.811   18.540 -0.000000 0.000000 
1 1 1  -46    0   15 o   87.345   13.091   57.516   14.469   0.0000   0.0000   57.516   14.469   87.345   13.091   87.345   13.091 -0.000000 0.000000 
1 1 1  -46    0   16 o  173.615   9.7863  212.267   22.857   0.0000   0.0000  212.267   22.857  173.615   9.7863  173.615   9.7863 -0.000000 0.000000 
1 1 1  -46    0   17 o   97.889   8.1925   67.607   10.692   0.0000   0.0000   67.607   10.692   97.889   8.1925   97.889   8.1925 -0.000000 0.000000 
1 1 1  -46    0   18 o  108.832   8.0202   83.130   11.681   0.0000   0.0000   83.130   11.681  108.832   8.0202  108.832   8.0202 -0.000000 0.000000 
1 1 1  -46    0   19 o  248.591   7.1326  426.373   23.983   0.0000   0.0000  426.373   23.983  248.591   7.1326  248.591   7.1326 -0.000000 0.000000 
1 1 1  -46    0   20 o  117.521   7.7460   96.505   12.213   0.0000   0.0000   96.505   12.213  117.521   7.7460  117.521   7.7460 -0.000000 0.000000 
1 1 1  -46    0   21 o  182.178   7.0573  229.339   17.363   0.0000   0.0000  229.339   17.363  182.178   7.0573  182.178   7.0573 -0.000000 0.000000 
1 1 1  -46    0   22 o   84.566   9.4993   51.533   10.533   0.0000   0.0000   51.533   10.533   84.566   9.4993   84.566   9.4993 -0.000000 0.000000 
1 1 1  -46    0   23 o  101.702   8.5744   73.111   11.624   0.0000   0.0000   73.111   11.624  101.702   8.5744  101.702   8.5744 -0.000000 0.000000 
1 1 1  -46    0   24 f   86.843   9.4331   54.211   10.769   0.0000   0.0000   54.211   10.769   86.843   9.4331   86.843   9.4331 -0.000000 0.000000 
1 1 1  -46    0   25 o  176.591   10.758  221.100   25.525   0.0000   0.0000  221.100   25.525  176.591   10.758  176.591   10.758 -0.000000 0.000000 
1 1 1  -46    0   26 o  133.723   11.722  128.928   20.866   0.0000   0.0000  128.928   20.866  133.723   11.722  133.723   11.722 -0.000000 0.000000 
1 1 1  -46    0   27 o  255.697   10.812  461.396   37.312   0.0000   0.0000  461.396   37.312  255.697   10.812  255.697   10.812 -0.000000 0.000000 
1 1 1  -46    0   28 o  112.069   7.7942   93.012   11.063  110.730   15.088   72.408   16.270  125.352   8.9881   98.786   12.736 -0.000000 0.000000 
1 1 1  -46    0   29 o   87.314   10.282   62.150   9.8063   82.110   13.385   39.022   14.408  107.476   9.3531   67.152   18.314 -0.000000 0.000000 
1 1 1  -46    0   30 o  178.387   6.7625  220.905   16.139  196.072   21.495  252.994   24.435  166.938   9.5736  189.836   9.5535 -0.000000 0.000000 
1 1 1  -46    0   31 o  103.775   7.8702   77.973   10.697   76.313   14.354   80.047   16.043  102.837   10.554  104.714   11.677 -0.000000 0.000000 
1 1 1  -46    0   32 o   47.437   12.829   21.731   7.8865   17.438   10.464   27.377   12.000   40.680   18.011   54.194   18.275 -0.000000 0.000000 
1 1 1  -46    0   33 o   85.459   9.1629   55.643   9.5966   64.061   13.387   46.746   13.763   93.740   10.926   77.177   14.712 -0.000000 0.000000 
1 1 1  -46    0   34 o   59.513   11.797   30.270   8.4488   21.260   11.155   42.391   12.939   45.854   18.440   73.171   14.720 -0.000000 0.000000 
1 1 1  -46    0   35 o   75.716   10.216   44.678   9.1044   34.138   12.299   57.454   13.541   63.506   16.539   87.926   11.997 -0.000000 0.000000 
1 1 1  -46    0   36 o   67.169   11.185   37.460   8.7999   41.153   12.143   33.375   12.771   72.606   13.788   61.732   17.615 -0.000000 0.000000 
1 1 1  -46    0   37 o   61.231   12.000   32.498   8.5967   33.197   11.692   31.676   12.684   63.040   15.823   59.422   18.045 -0.000000 0.000000 
1 1 1  -46    0   38 o  155.080   6.8975  168.837   14.292  148.400   19.397  193.113   21.140  144.604   10.008  165.556   9.4939 -0.000000 0.000000 
1 1 1  -46    0   39 o   76.433   10.169   45.205   9.2339   35.784   12.346   57.165   13.911   65.566   16.042   87.300   12.502 -0.000000 0.000000 
1 1 1  -46    0   40 o  209.113   9.8080  307.986   27.654   0.0000   0.0000  307.986   27.654  209.113   9.8080  209.113   9.8080 -0.000000 0.000000 
1 1 1  -46    0   41 o  122.860   10.498  108.307   17.184   0.0000   0.0000  108.307   17.184  122.860   10.498  122.860   10.498 -0.000000 0.000000 
1 1 1  -46    0   42 f  101.752   8.0259   75.786   10.702   79.931   15.143   71.651   15.126  104.884   10.926   98.620   11.760 -0.000000 0.000000 
1 1 1  -46    0   43 o  151.126   7.1956  162.523   14.467  187.549   20.813  139.131   20.123  162.986   9.4973  139.266   10.812 -0.000000 0.000000 
1 1 1  -46    0   44 o   44.048   12.500   19.298   8.1379   10.870   11.101   29.089   11.965   31.625   17.561   56.471   17.794 -0.000000 0.000000 
1 1 1  -46    0   45 o  157.042   7.0699  175.155   14.905  174.519   20.962  175.806   21.198  156.779   9.9587  157.305   10.038 -0.000000 0.000000 
1 1 1  -46    0   46 o   56.953   10.778   28.846   8.5675   10.678   11.526   51.275   12.807   31.458   17.731   82.448   12.261 -0.000000 0.000000 
1 1 1  -46    0   47 o   33.944   17.775   12.925   10.760   12.925   10.760   0.0000   0.0000   33.944   17.775   33.944   17.775 -0.000000 0.000000 
1 1 1  -46    0   48 o  103.656   11.490   78.913   15.633   78.913   15.633   0.0000   0.0000  103.656   11.490  103.656   11.490 -0.000000 0.000000 
1 1 1  -46    0   49 o   62.909   11.979   35.946   9.3953   52.319   13.567   20.860   13.023   82.679   13.092   43.140   20.066 -0.000000 0.000000 
1 1 1  -46    0   50 o   28.768   11.845   7.3287   7.9798   12.949   11.453   2.0274   11.124   33.828   18.154   23.708   15.220 -0.000000 0.000000 
1 1 1  -46    0   51 o   56.562   12.926   30.373   9.0935   23.218   12.810   37.642   12.911   46.406   19.905   66.719   16.497 -0.000000 0.000000 
1 1 1  -46    0   52 o   49.575   12.819   24.575   8.9582   35.499   12.910   14.432   12.440   63.783   17.281   35.368   18.940 -0.000000 0.000000 
1 1 1  -46    0   53 o   42.664   13.822   20.324   8.7571   19.048   12.493   21.557   12.278   40.880   19.587   44.449   19.507 -0.000000 0.000000 
1 1 1  -46    0   54 o   83.876   9.9132   54.831   10.271   59.658   14.737   50.270   14.323   88.265   13.188   79.488   14.804 -0.000000 0.000000 
1 1 1  -46    0   55 o   47.626   11.617   21.705   9.0486   5.0126   12.621   39.357   12.979   26.723   16.765   68.530   16.085 -0.000000 0.000000 
1 1 1  -46    0   56 o   87.472   9.9190   59.782   10.738   65.213   15.094   54.217   15.279   92.682   12.693   82.262   15.246 -0.000000 0.000000 
1 1 1  -46    0   57 o   81.591   10.860   53.338   10.572   64.512   15.553   43.740   14.414   91.573   13.365   71.609   17.122 -0.000000 0.000000 
1 1 1  -46    0   58 o   92.192   13.136   65.244   15.447   0.0000   0.0000   65.244   15.447   92.192   13.136   92.192   13.136 -0.000000 0.000000 
1 1 1  -46    0   59 o  100.108   12.294   75.630   16.003   0.0000   0.0000   75.630   16.003  100.108   12.294  100.108   12.294 -0.000000 0.000000 
1 1 1  -46    0   60 o   42.195   19.641   20.589   12.479   0.0000   0.0000   20.589   12.479   42.195   19.641   42.195   19.641 -0.000000 0.000000 
1 1 1  -46    0   61 o   72.195   17.138   44.925   14.554   0.0000   0.0000   44.925   14.554   72.195   17.138   72.195   17.138 -0.000000 0.000000 
1 1 1  -46    1    1 o   49.876   7.6012   18.112   5.5808   33.484   8.3280   5.5817   7.5188   68.284   9.0000   31.468   12.252 36.81557 15.20236 
1 1 1  -46    1    2 o   95.738   5.5305   64.805   7.1710   67.030   10.359   62.757   9.9369   97.296   7.8566   94.180   7.7860 3.116020 11.06108 
1 1 1  -46    1    3 o  173.347   4.8070  210.146   11.286  217.533   16.300  203.344   15.641  176.248   6.8245  170.446   6.7717 5.802734 9.614068 
1 1 1  -46    1    4 o  214.463   4.8500  322.109   14.093  318.474   20.026  325.675   19.837  213.190   6.9317  215.735   6.7855 -2.545547 9.700051 
1 1 1  -46    1    5 o  143.135   6.1386  144.671   11.054  150.250   19.784  142.139   13.328  143.798   10.153  142.473   6.9032 1.325226 12.27722 
1 1 1  -46    1    6 o   90.414   7.3978   60.097   8.3410   58.044   14.822   61.049   10.090   87.957   12.435   92.872   8.0175 -4.915634 14.79569 
1 1 1  -46    1    7 o   69.070   8.8133   36.723   7.3433   34.803   13.215   37.581   8.8324   65.649   15.161   72.491   8.9911 -6.841843 17.62656 
1 1 1  -46    1    8 o  135.617   6.1928  129.868   10.630  134.640   18.810  127.628   12.884  136.244   10.188  134.990   7.0433 1.253952 12.38569 
1 1 1  -46    1    9 o  122.969   6.2774  105.681   9.8532  114.604   17.343  101.428   11.973  125.751   10.177  120.186   7.3515 5.564484 12.55472 
1 1 1  -46    1   10 f  124.553   5.1262  108.905   8.6378  101.995   12.226  115.791   12.205  120.462   7.4897  128.643   7.0011 -8.181313 10.25239 
1 1 1  -46    1   11 o  168.853   4.8534  199.098   11.103  203.475   15.913  194.947   15.499  170.647   6.8813  167.058   6.8461 3.588791 9.706773 
1 1 1  -46    1   12 o   88.713   5.9643   55.808   7.1690   55.670   10.221   55.942   10.058   88.567   8.5160   88.860   8.3527 -0.2927704 11.92852 
1 1 1  -46    1   13 f  176.719   4.9138  218.266   11.764  211.931   16.626  224.616   16.646  174.074   7.0482  179.364   6.8486 -5.290024 9.827551 
1 1 1  -46    1   14 o  231.568   4.9627  374.876   15.569  364.529   21.965  385.324   22.072  228.272   7.1006  234.863   6.9351 -6.591034 9.925371 
1 1 1  -46    1   15 o  238.545   5.0120  397.751   16.198  407.496   23.223  388.520   22.604  241.377   7.0997  235.713   7.0765 5.663284 10.02408 
1 1 1  -46    1   16 o  236.718   5.0056  391.451   16.050  403.602   23.110  380.129   22.309  240.243   7.0985  233.192   7.0595 7.051102 10.01125 
1 1 1  -46    1   17 o  225.900   4.9926  356.644   15.278  344.234   21.493  369.320   21.722  221.840   7.1495  229.959   6.9707 -8.119247 9.985295 
1 1 1  -46    1   18 f  109.361   5.5710   84.200   8.2559   84.732   11.731   83.677   11.621  109.696   7.8915  109.025   7.8657 0.6713715 11.14207 
1 1 1  -46    1   19 o  125.430   5.3302  110.398   9.0508  110.468   13.095  110.335   12.524  125.369   7.7078  125.491   7.3644 -0.1213913 10.66044 
1 1 1  -46    1   20 o   97.349   8.3748   69.538   11.014   73.814   16.374   66.005   14.885   99.901   12.095   94.797   11.587 5.104630 16.74969 
1 1 1  -46    1   21 o  193.574   7.1176  270.440   18.607  262.581   27.179  277.374   25.528  190.372   10.535  196.776   9.5733 -6.403564 14.23516 
1 1 1  -46    1   22 o  133.520   6.7297  129.503   11.270  122.034   19.741  133.113   13.726  129.178   11.277  137.862   7.3471 -8.684067 13.45949 
1 1 1  -46    1   23 o  295.822   5.3585  614.170   21.479  614.371   30.588  613.975   30.168  295.798   7.6308  295.846   7.5250 -0.4754639E-01 10.71704 
1 1 1  -46    1   24 f  145.695   5.2432  148.982   10.332  139.740   14.688  158.035   14.537  141.036   7.6849  150.353   7.1349 -9.317535 10.48640 
1 1 1  -46    1   25 o  208.637   5.0410  304.226   14.247  306.973   20.467  301.644   19.845  209.477   7.2099  207.797   7.0473 1.680450 10.08200 
1 1 1  -46    1   26 o  106.360   6.7116   85.627   8.1647   90.716   9.5126   71.388   15.911  114.368   6.1378   98.353   11.938 16.01546 13.42326 
1 1 1  -46    1   27 o  128.032   6.0480  116.152   9.0668  116.181   10.488  116.066   18.036  129.502   5.9765  126.562   10.516 2.940155 12.09592 
1 1 1  -46    1   28 o  114.467   6.3926   95.177   8.5096   97.167   9.8706   89.415   16.794  118.349   6.1546  110.585   11.206 7.763565 12.78523 
1 1 1  -46    1   29 o  229.966   5.7635  365.858   17.961  365.858   17.961   0.0000   0.0000  229.966   5.7635  ?   ?       ?      ? 
1 1 1  -46    1   30 o  241.541   6.0729  418.033   18.764  427.655   23.216  399.911   31.862  247.486   6.9224  235.596   9.9799 11.89026 12.14570 
1 1 1  -46    1   31 o  232.884   4.8841  378.599   15.408  392.794   21.965  364.846   21.620  237.256   6.8318  228.513   6.9818 8.743195 9.768243 
1 1 1  -46    1   32 o  234.614   4.8574  384.292   15.443  384.727   21.854  383.858   21.827  234.747   6.8697  234.482   6.8692 0.2647400 9.714869 
1 1 1  -46    1   33 o  171.249   4.7823  204.331   11.079  188.160   15.393  221.709   15.958  164.112   6.9215  178.387   6.6012 -14.27434 9.564667 
1 1 1  -46    1   34 o   89.726   5.7129   56.879   6.9463   57.010   9.8057   56.747   9.8414   89.841   8.0542   89.611   8.1042 0.2298508 11.42581 
1 1 1  -46    1   35 o  163.434   4.7868  186.516   10.591  176.568   14.928  196.597   15.028  158.929   6.9315  167.939   6.6036 -9.010452 9.573572 
1 1 1  -46    1   36 o  125.080   5.0049  109.561   8.4759  103.922   11.933  115.303   12.041  121.742   7.2332  128.419   6.9192 -6.676895 10.00978 
1 1 1  -46    1   37 o  121.774   10.283  107.619   16.970   0.0000   0.0000  107.619   16.970  ?   ?   121.774   10.283      ?      ? 
1 1 1  -46    1   38 o  136.384   6.0904  131.405   10.632  129.398   13.030  135.404   18.391  135.902   7.0750  136.867   9.9155 -0.9651031 12.18084 
1 1 1  -46    1   39 o   62.221   7.4988   29.176   6.0274   22.411   8.6859   35.460   8.3708   53.935   12.173   70.508   8.7608 -16.57294 14.99769 
1 1 1  -46    1   40 o  103.995   5.5029   76.611   7.7125   67.846   10.922   85.329   10.892   97.786   8.2421  110.204   7.2936 -12.41748 11.00582 
1 1 1  -46    1   41 o  137.713   5.0075  133.078   9.3405  128.871   13.240  137.246   13.180  135.458   7.2126  139.968   6.9484 -4.510010 10.01509 
1 1 1  -46    1   42 o  209.157   6.0782  312.660   16.092  309.677   28.130  314.112   19.620  206.493   10.053  211.820   6.8352 -5.327057 12.15633 
1 1 1  -46    1   43 o  172.005   6.0255  212.288   13.132  206.683   22.807  215.068   16.061  168.712   9.9756  175.298   6.7612 -6.586411 12.05095 
1 1 1  -46    1   44 o  101.962   5.4773   73.436   7.5421   81.874   10.870   65.602   10.473  107.768   7.4433   96.156   8.0375 11.61163 10.95462 
1 1 1  -46    1   45 o   35.845   9.2309   8.9004   6.0121   3.1962   10.313   11.837   7.3993   32.309   13.666   39.381   12.413 -7.072197 18.46172 
1 1 1  -46    1   46 o  110.151   6.7338   89.328   9.2792   83.231   16.245   92.280   11.305  105.859   11.324  114.444   7.2894 -8.585526 13.46764 
1 1 1  -46    1   47 o   66.725   7.2924   33.177   6.3735   29.225   9.2078   36.811   8.8311   61.968   11.384   71.483   9.1165 -9.514885 14.58477 
1 1 1  -46    1   48 o  134.406   5.1031  127.097   9.2864  133.628   13.465  121.172   12.825  137.694   7.2160  131.119   7.2177 6.575760 10.20615 
1 1 1  -46    1   49 o   41.269   9.9721   13.241   6.6691   14.543   8.3370   10.928   11.114   42.982   13.116   39.557   15.025 3.425056 19.94419 
1 1 1  -46    1   50 o   54.016   9.9351   24.248   7.2546   26.158   9.0397   20.792   12.160   58.153   11.873   49.880   15.933 8.273525 19.87024 
1 1 1  -46    1   51 o  153.344   5.1196  166.180   10.631  159.690   15.058  172.630   15.012  150.220   7.3971  156.467   7.0798 -6.247375 10.23916 
1 1 1  -46    1   52 o  127.993   5.3496  116.411   9.2595  108.459   13.123  124.297   13.067  123.414   7.8465  132.571   7.2737 -9.156540 10.69927 
1 1 1  -46    1   53 o  130.485   5.3386  120.895   9.4368  122.248   13.551  119.620   13.150  131.134   7.6253  129.837   7.4738 1.297531 10.67722 
1 1 1  -46    1   54 o  122.184   5.4079  106.290   8.9509  105.895   12.812  106.668   12.510  121.877   7.7576  122.492   7.5365 -0.6148453 10.81572 
1 1 1  -46    1   55 o  124.967   5.4226  111.492   9.1649  104.233   12.999  118.667   12.924  120.687   7.9481  129.248   7.3787 -8.561180 10.84513 
1 1 1  -46    1   56 o   67.117   10.569   37.980   9.6646   28.065   13.855   47.377   13.488   56.216   16.854   78.018   12.758 -21.80182 21.13757 
1 1 1  -46    1   57 o   56.119   11.116   27.736   9.3644   17.047   13.560   37.480   12.947   45.187   16.714   67.052   14.658 -21.86497 22.23107 
1 1 1  -46    1   58 o   96.565   7.5709   71.797   9.3139   76.143   11.666   64.157   15.468  102.557   8.3942   90.573   12.602 11.98419 15.14180 
1 1 1  -46    1   59 o   47.225   10.974   18.505   8.7543   28.329   12.525   9.1230   12.241   56.814   15.731   37.636   15.306 19.17751 21.94829 
1 1 1  -46    1   60 o   72.547   10.297   44.095   9.9283   51.175   14.137   37.204   13.947   80.130   13.019   64.964   15.958 15.16613 20.59440 
1 1 1  -46    1   61 o   43.542   10.908   14.990   8.5899   24.458   12.516   6.5598   11.810   52.015   16.104   35.068   14.717 16.94705 21.81583 
1 1 1  -46    1   62 o   86.087   12.888   59.564   15.035   0.0000   0.0000   59.564   15.035  ?   ?    86.087   12.888      ?      ? 
1 1 1  -46    1   63 o   37.704   15.396   9.9855   12.450   0.0000   0.0000   9.9855   12.450  ?   ?    37.704   15.396      ?      ? 
1 1 1  -46    1   64 f   69.062   15.625   42.777   14.282   0.0000   0.0000   42.777   14.282  ?   ?    69.062   15.625      ?      ? 
1 1 1  -46    2    1 o   46.634   8.5349   16.911   5.4301   17.120   7.9022   16.725   7.4743   46.821   12.296   46.447   11.840 0.3746567 17.06981 
1 1 1  -46    2    2 f  119.860   5.0328  100.940   8.1626  101.864   11.889  100.116   11.227  120.269   7.2949  119.451   6.9355 0.8185425 10.06556 
1 1 1  -46    2    3 o   91.675   5.5437   59.291   6.8743   63.152   10.103   55.962   9.3807   94.417   7.8960   88.934   7.7837 5.482582 11.08748 
1 1 1  -46    2    4 o  110.987   5.1689   86.738   7.7653   85.166   11.184   88.201   10.790  109.901   7.5094  112.072   7.1048 -2.171173 10.33773 
1 1 1  -46    2    5 o  101.606   5.3745   72.644   7.3907   77.187   10.770   68.599   10.161  104.603   7.5976   98.609   7.6038 5.994202 10.74902 
1 1 1  -46    2    6 o  125.164   5.0671  110.397   8.5503   98.742   12.162  121.787   12.023  118.345   7.5838  131.983   6.7221 -13.63854 10.13411 
1 1 1  -46    2    7 o   40.835   9.5430   12.829   6.2421   15.118   7.9480   9.1447   10.084   44.134   12.642   37.537   14.299 6.596626 19.08598 
1 1 1  -46    2    8 o  139.575   6.0581  137.045   10.930  133.275   13.499  144.223   18.626  137.788   7.2296  141.362   9.7229 -3.573868 12.11622 
1 1 1  -46    2    9 o  184.571   5.9750  242.464   14.166  243.452   17.511  240.592   24.097  186.522   6.9278  182.620   9.7370 3.902359 11.95007 
1 1 1  -46    2   10 o  109.904   5.3422   85.104   7.9453   82.105   11.395   87.941   11.084  107.886   7.7943  111.922   7.3079 -4.035492 10.68440 
1 1 1  -46    2   11 o   68.695   6.8233   33.756   6.3302   37.700   9.3583   30.430   8.5949   72.418   9.5360   64.973   9.7618 7.445641 13.64651 
1 1 1  -46    2   12 o  210.715   4.9278  309.352   14.038  328.005   20.747  293.603   19.064  216.451   7.0732  204.979   6.8630 11.47202 9.855517 
1 1 1  -46    2   13 o   87.268   8.1349   60.598   8.2776   45.361   14.263   68.336   10.164   75.974   14.380   98.561   7.6101 -22.58732 16.26989 
1 1 1  -46    2   14 o  113.460   6.5778   93.196   9.4139   88.997   16.385   95.265   11.502  110.352   10.957  116.568   7.2812 -6.215988 13.15557 
1 1 1  -46    2   15 o  136.114   6.2651  129.509   10.718  138.624   19.362  125.481   12.870  138.316   10.330  133.913   7.0923 4.402786 12.53026 
1 1 1  -46    2   16 o  185.085   6.2238  247.896   14.467  231.488   25.237  255.927   17.656  178.666   10.424  191.503   6.8036 -12.83771 12.44754 
1 1 1  -46    2   17 o  187.514   4.9607  245.812   12.599  244.956   18.086  246.620   17.562  187.099   7.1333  187.929   6.8958 -0.8298645 9.921471 
1 1 1  -46    2   18 o  174.158   4.9492  211.750   11.673  217.934   16.881  206.082   16.160  176.550   7.0556  171.767   6.9424 4.783447 9.898441 
1 1 1  -46    2   19 o  130.229   5.2163  119.068   9.1916  113.573   13.131  124.347   12.870  127.131   7.6222  133.327   7.1234 -6.196014 10.43267 
1 1 1  -46    2   20 o  110.457   5.6022   86.078   8.3741   82.668   11.982   89.334   11.708  108.180   8.1736  112.735   7.6636 -4.555061 11.20442 
1 1 1  -46    2   21 o  171.660   5.0541  206.484   11.735  194.816   16.738  217.763   16.457  166.681   7.4102  176.639   6.8751 -9.958130 10.10830 
1 1 1  -46    2   22 o   81.679   6.5221   47.751   7.1983   44.352   10.266   51.037   10.096   78.622   9.6359   84.735   8.7920 -6.112877 13.04418 
1 1 1  -46    2   23 o   89.459   6.2702   57.514   7.4971   48.022   10.752   66.496   10.459   81.780   9.7022   97.138   7.9452 -15.35863 12.54032 
1 1 1  -46    2   24 f   78.013   8.5884   47.530   8.2923   53.829   10.625   37.718   13.262   86.914   9.0214   69.111   14.617 17.80322 17.17686 
1 1 1  -46    2   25 o  158.895   6.0624  179.057   12.643  179.100   16.036  178.988   20.554  159.821   7.4041  157.968   9.6015 1.852905 12.12477 
1 1 1  -46    2   26 o  110.221   6.1645   87.762   8.0033   89.465   9.3361   83.045   15.543  113.585   6.0655  106.858   10.734 6.727234 12.32895 
1 1 1  -46    2   27 o  130.943   5.7124  114.147   8.8519  107.357   10.151  135.703   18.087  124.443   6.0192  137.443   9.7107 -12.99927 11.42490 
1 1 1  -46    2   28 o  175.064   5.6480  220.396   11.730  225.506   13.742  206.677   22.516  180.618   5.6145  169.510   9.8018 11.10753 11.29596 
1 1 1  -46    2   29 o  177.217   5.7341  230.063   12.069  240.592   14.244  203.260   22.725  186.540   5.6348  167.895   9.9883 18.64536 11.46814 
1 1 1  -46    2   30 o  190.329   5.5243  248.109   12.524  240.546   14.501  270.313   24.847  186.442   5.7396  194.216   9.4409 -7.774246 11.04868 
1 1 1  -46    2   31 o  136.864   5.7948  130.984   9.5009  129.295   11.085  135.661   18.443  136.553   5.9903  137.174   9.9215 -0.6208344 11.58963 
1 1 1  -46    2   32 f  120.150   6.2590  105.384   9.6060  111.738   12.009   94.096   16.007  126.399   7.0110  113.902   10.370 12.49729 12.51793 
1 1 1  -46    2   33 o  109.999   7.3282   84.890   10.924   84.890   10.924   0.0000   0.0000  109.999   7.3282  ?   ?       ?      ? 
1 1 1  -46    2   34 f  208.510   5.9778  309.490   15.867  311.483   19.449  305.524   27.436  211.190   6.7959  205.830   9.8362 5.360138 11.95557 
1 1 1  -46    2   35 o   68.661   6.5388   33.750   6.0537   29.569   8.4168   38.230   8.7133   64.074   9.6935   73.247   8.7783 -9.173286 13.07755 
1 1 1  -46    2   36 o  109.968   5.1831   84.998   7.7116   79.726   10.913   90.256   10.899  106.433   7.5662  113.503   7.0859 -7.070984 10.36615 
1 1 1  -46    2   37 o  188.657   4.7859  248.654   12.233  251.118   17.484  246.290   17.124  189.539   6.8069  187.774   6.7294 1.765503 9.571745 
1 1 1  -46    2   38 f  148.527   4.8633  154.198   9.7837  159.825   14.096  148.968   13.590  151.136   6.8825  145.919   6.8728 5.217026 9.726521 
1 1 1  -46    2   39 o   34.206   8.7192   7.5765   5.2760   10.798   7.6553   4.6618   7.2816   38.129   12.675   30.283   11.977 7.846657 17.43848 
1 1 1  -46    2   40 o  116.959   5.1702   96.229   8.1898   93.422   11.649   98.972   11.516  115.183   7.4633  118.735   7.1571 -3.552551 10.34046 
1 1 1  -46    2   41 o   97.359   5.5697   67.406   7.3033   60.459   10.477   73.971   10.186   92.178   8.3877  102.540   7.3302 -10.36214 11.13933 
1 1 1  -46    2   42 o  116.399   6.4410   97.689   9.3641   96.059   16.716   98.435   11.304  114.367   10.786  118.431   7.0437 -4.063881 12.88196 
1 1 1  -46    2   43 o   98.268   6.7924   66.188   8.4336   80.347   15.477   60.209   10.058  104.428   10.937   92.107   8.0582 12.32172 13.58489 
1 1 1  -46    2   44 o  118.963   5.3392   99.383   8.5774  106.523   12.800   93.564   11.556  122.726   7.6962  115.200   7.4025 7.526062 10.67844 
1 1 1  -46    2   45 o   37.710   9.9572   9.1082   6.2537   12.106   12.006   7.9921   7.3260   41.273   15.631   34.146   12.339 7.127060 19.91435 
1 1 1  -46    2   46 o  127.694   5.1378  114.644   8.8796  120.721   12.952  109.256   12.197  130.853   7.3044  124.535   7.2273 6.317574 10.27559 
1 1 1  -46    2   47 o   44.061   8.7323   14.663   5.7272   21.986   8.4232   8.3674   7.8104   53.234   11.967   34.887   12.720 18.34740 17.46466 
1 1 1  -46    2   48 o   74.440   7.1299   42.049   6.7117   30.784   9.7743   52.099   9.2323   63.289   11.832   85.591   7.9597 -22.30242 14.25989 
1 1 1  -46    2   49 o   60.020   7.9021   27.712   6.1879   22.289   9.0582   32.456   8.4730   53.111   12.748   66.929   9.3419 -13.81868 15.80424 
1 1 1  -46    2   50 o   56.236   8.5316   24.457   6.3156   29.416   9.2859   20.188   8.6150   61.953   11.483   50.518   12.621 11.43505 17.06318 
1 1 1  -46    2   51 o  138.597   10.788  142.633   20.262  142.633   20.262   0.0000   0.0000  138.597   10.788  ?   ?       ?      ? 
1 1 1  -46    2   52 o   70.361   9.4780   42.242   8.2394   49.808   10.329   29.008   13.662   82.839   9.2015   57.882   16.573 24.95639 18.95590 
1 1 1  -46    2   53 o  118.619   5.4573  100.095   8.7613  102.735   12.772   97.749   12.041  119.991   7.8545  117.247   7.5785 2.743362 10.91459 
1 1 1  -46    2   54 o  145.709   6.1698  148.510   11.637  137.302   14.261  170.845   20.132  138.879   7.5774  152.539   9.7391 -13.66005 12.33967 
1 1 1  -46    2   55 o   71.720   8.7619   34.899   7.8520   20.950   9.5034   64.904   13.938   50.591   13.578   92.849   11.078 -42.25850 17.52377 
1 1 1  -46    2   56 f  107.861   6.8912   83.497   9.7195   77.326   12.078   94.841   16.374  103.307   8.6271  112.415   10.748 -9.108498 13.78243 
1 1 1  -46    2   57 o  168.702   6.3136  208.792   13.685  211.921   17.000  203.031   23.066  172.529   7.2710  164.875   10.324 7.654053 12.62724 
1 1 1  -46    2   58 o  107.578   7.0054   85.235   9.7562   83.299   12.108   88.818   16.472  107.250   8.3312  107.907   11.265 -0.6566315 14.01086 
1 1 1  -46    2   59 o  147.878   6.3495  155.350   12.052  145.050   14.662  176.800   21.159  142.152   7.6115  153.603   10.165 -11.45123 12.69891 
1 1 1  -46    2   60 o   51.050   11.700   23.141   9.3670   30.327   14.048   17.389   12.569   57.342   16.919   44.758   16.164 12.58421 23.39915 
1 1 1  -46    2   61 o   81.534   13.535   54.138   14.954   0.0000   0.0000   54.138   14.954  ?   ?    81.534   13.535      ?      ? 
1 1 1  -46    2   62 o   58.822   16.710   32.241   13.945   0.0000   0.0000   32.241   13.945  ?   ?    58.822   16.710      ?      ? 
1 1 1  -46    2   63 o  150.298   10.821  174.460   22.041   0.0000   0.0000  174.460   22.041  ?   ?   150.298   10.821      ?      ? 
1 1 1  -46    2   64 o  158.735   10.715  195.150   23.048   0.0000   0.0000  195.150   23.048  ?   ?   158.735   10.715      ?      ? 
1 1 1  -46    2   65 o   31.676   14.017   2.6621   11.882   0.0000   0.0000   2.6621   11.882  ?   ?    31.676   14.017      ?      ? 
1 1 1  -46    3    1 o  117.408   10.558  101.371   16.798  101.371   16.798   0.0000   0.0000  117.408   10.558  ?   ?       ?      ? 
1 1 1  -46    3    2 o   78.947   12.653   47.343   13.536   47.343   13.536   0.0000   0.0000   78.947   12.653  ?   ?       ?      ? 
1 1 1  -46    3    3 o  106.508   10.901   83.684   15.734   83.684   15.734   0.0000   0.0000  106.508   10.901  ?   ?       ?      ? 
1 1 1  -46    3    4 o   47.502   10.525   17.439   7.9524   25.979   11.582   9.8207   10.939   56.409   14.921   38.595   14.847 17.81437 21.04915 
1 1 1  -46    3    5 o  113.630   5.2063   91.023   7.9782   90.077   11.834   91.811   10.802  112.863   7.7374  114.397   6.9681 -1.533791 10.41257 
1 1 1  -46    3    6 o  131.332   4.9032  120.445   8.6950  126.357   12.964  115.611   11.723  134.122   7.1326  128.542   6.7298 5.579849 9.806336 
1 1 1  -46    3    7 o   84.590   5.7637   50.708   6.5788   51.581   9.7950   49.991   8.8799   85.087   8.4948   84.092   7.7923 0.9950333 11.52747 
1 1 1  -46    3    8 o  116.481   5.1297   94.907   8.0745  101.301   11.979   89.583   10.931  119.994   7.3671  112.967   7.1402 7.026970 10.25946 
1 1 1  -46    3    9 o   73.351   7.2945   41.989   6.4355   23.747   9.3039   58.724   8.9112   55.245   12.694   91.457   7.1901 -36.21238 14.58905 
1 1 1  -46    3   10 o   31.398   8.6153   5.4443   5.2121   6.4308   7.8710   4.6739   6.9556   32.878   12.607   29.918   11.746 2.959913 17.23068 
1 1 1  -46    3   11 o   69.408   6.7344   34.416   6.3100   38.007   9.4264   31.500   8.4937   72.642   9.5759   66.174   9.4717 6.468079 13.46889 
1 1 1  -46    3   12 o  138.541   5.0576  134.773   9.4719  131.430   13.776  137.769   13.044  136.721   7.4355  140.360   6.8580 -3.639450 10.11522 
1 1 1  -46    3   13 o   61.241   9.3634   28.586   7.3365   26.593   9.2091   32.049   12.138   59.040   11.921   63.443   14.442 -4.403435 18.72675 
1 1 1  -46    3   14 o  139.119   6.2282  138.123   11.172  138.533   13.866  137.364   18.862  140.505   7.2826  137.734   10.106 2.771408 12.45649 
1 1 1  -46    3   15 o  189.570   4.8723  251.389   12.506  245.634   17.908  256.868   17.474  187.310   7.0551  191.831   6.7217 -4.520660 9.744501 
1 1 1  -46    3   16 o  101.418   5.6776   72.446   7.7903   77.142   11.415   68.352   10.658  104.467   8.0631   98.369   7.9955 6.097351 11.35528 
1 1 1  -46    3   17 o  194.763   4.9117  264.953   12.945  270.190   18.883  260.309   17.781  196.447   7.0934  193.078   6.7957 3.369675 9.823303 
1 1 1  -46    3   18 o   54.574   8.5661   22.938   6.1610   21.396   9.0594   24.265   8.4035   52.468   12.845   56.681   11.337 -4.212593 17.13218 
1 1 1  -46    3   19 o  150.810   5.0484  159.488   10.301  153.469   14.796  165.150   14.349  147.875   7.3834  153.745   6.8871 -5.870132 10.09685 
1 1 1  -46    3   20 o  105.698   5.5939   78.832   8.0042   78.025   11.545   79.579   11.107  105.072   8.1079  106.324   7.7090 -1.252449 11.18780 
1 1 1  -46    3   21 o  114.879   5.4490   93.015   8.4646   90.577   12.273   95.227   11.690  113.277   7.9952  116.481   7.4057 -3.203300 10.89805 
1 1 1  -46    3   22 o  172.871   4.9981  209.350   11.692  201.818   16.767  216.480   16.313  169.664   7.2924  176.077   6.8369 -6.413345 9.996125 
1 1 1  -46    3   23 o   62.509   9.3390   32.075   7.7192   40.361   10.075   20.299   12.011   74.806   9.9389   50.213   15.814 24.59251 18.67794 
1 1 1  -46    3   24 o  166.294   5.4222  189.272   10.771  183.475   12.490  206.094   21.277  162.861   5.6591  169.726   9.2507 -6.864578 10.84437 
1 1 1  -46    3   25 f  117.781   5.9698  101.916   8.2915  106.236   9.7419   90.560   15.794  123.859   5.8041  111.702   10.434 12.15730 11.93956 
1 1 1  -46    3   26 o  102.879   5.9884   71.945   7.4388   68.333   8.6453   82.247   14.599   99.088   6.4384  106.670   10.099 -7.582130 11.97688 
1 1 1  -46    3   27 o  151.878   6.0968  165.021   12.167  168.877   15.561  158.956   19.518  155.106   7.4032  148.651   9.6890 6.454773 12.19361 
1 1 1  -46    3   28 o   65.493   10.189   33.830   8.7771   36.133   12.969   31.883   11.923   67.467   14.608   63.519   14.207 3.948128 20.37732 
1 1 1  -46    3   29 o  196.655   5.7899  270.137   14.607  262.807   17.886  284.813   25.309  193.995   6.8038  199.315   9.3702 -5.319946 11.57980 
1 1 1  -46    3   30 o  113.669   6.2533   91.627   9.0693   90.701   11.096   93.492   15.743  113.756   7.1977  113.581   10.228 0.1747818 12.50664 
1 1 1  -46    3   31 o  184.794   5.5103  238.808   12.281  236.462   14.394  245.089   23.548  184.782   5.7481  184.805   9.4029 -0.2346802E-01 11.02066 
1 1 1  -46    3   32 o  121.609   5.9942  106.943   8.7573  109.460   10.338  100.549   16.479  125.552   6.0762  117.666   10.334 7.886513 11.98835 
1 1 1  -46    3   33 o   62.818   8.4923   31.360   6.2976   33.544   7.4757   26.021   11.687   68.881   8.0089   56.754   14.978 12.12682 16.98466 
1 1 1  -46    3   34 o  145.264   4.8420  147.587   9.5209  139.005   13.401  156.335   13.529  140.884   7.0192  149.643   6.6716 -8.758987 9.683980 
1 1 1  -46    3   35 o   58.358   8.7401   27.086   6.6591   31.133   8.5543   20.862   10.609   65.733   9.6033   50.982   14.606 14.75058 17.48016 
1 1 1  -46    3   36 o   30.390   8.7580   3.3087   5.5408   1.3051   6.9809   6.7199   9.1087   26.447   11.218   34.334   13.453 -7.887575 17.51606 
1 1 1  -46    3   37 o   68.926   6.4937   34.122   6.0578   33.175   8.6991   35.013   8.4409   67.881   9.4568   69.971   8.9019 -2.090446 12.98748 
1 1 1  -46    3   38 o  122.462   6.1369  108.923   9.5781  100.743   16.206  113.315   11.874  117.719   10.159  127.205   6.8883 -9.486656 12.27382 
1 1 1  -46    3   39 o   81.625   8.1288   54.429   7.6748   36.783   12.913   64.067   9.5432   67.849   14.485   95.402   7.3817 -27.55212 16.25755 
1 1 1  -46    3   40 o  126.494   6.1565  114.935   9.8851  112.407   17.127  116.198   12.105  124.249   10.172  128.739   6.9385 -4.490219 12.31303 
1 1 1  -46    3   41 o  113.781   5.2329   91.118   8.0618   93.743   11.691   88.739   11.132  115.292   7.4832  112.269   7.3166 3.022186 10.46570 
1 1 1  -46    3   42 o   68.517   6.8171   34.121   6.2681   32.857   9.4198   35.125   8.3969   67.028   10.371   70.005   8.8512 -2.977722 13.63426 
1 1 1  -46    3   43 o  114.864   5.3353   93.755   8.2479   85.660   12.001  101.002   11.355  109.802   8.0651  119.925   6.9869 -10.12327 10.67062 
1 1 1  -46    3   44 o   82.525   6.1324   48.827   6.8227   48.140   10.121   49.400   9.2366   81.748   9.1365   83.302   8.1823 -1.554230 12.26480 
1 1 1  -46    3   45 o  120.930   6.4443  104.055   10.207  100.249   12.798  110.707   16.919  118.796   7.9496  123.065   10.145 -4.269920 12.88870 
1 1 1  -46    3   46 o  134.491   9.9724  132.021   18.175   0.0000   0.0000  132.021   18.175  ?   ?   134.491   9.9724      ?      ? 
1 1 1  -46    3   47 o  101.952   7.3017   76.656   9.0920   75.298   16.778   77.221   10.818   99.526   12.440  104.378   7.6481 -4.852570 14.60330 
1 1 1  -46    3   48 o   77.890   6.3640   43.578   6.6970   46.224   9.9531   41.390   9.0526   79.941   9.1877   75.839   8.8084 4.101662 12.72801 
1 1 1  -46    3   49 o   83.297   6.1609   49.251   6.8942   59.201   10.378   41.392   9.2234   90.884   8.4266   75.710   8.9900 15.17478 12.32183 
1 1 1  -46    3   50 o   24.190   7.5078  -4.1597   5.0710   4.7552   7.7435 -10.8537   6.7100   30.611   12.270   17.770   8.6549 12.84155 15.01566 
1 1 1  -46    3   51 o   47.532   10.073   18.594   6.9268   19.344   8.7489   17.333   11.339   49.146   12.954   45.918   15.429 3.228577 20.14541 
1 1 1  -46    3   52 o   43.727   9.9778   12.239   6.8591   5.3856   8.3800   26.151   11.939   31.826   12.762   55.628   15.341 -23.80167 19.95564 
1 1 1  -46    3   53 o   75.137   9.8786   41.561   10.058   41.561   10.058   0.0000   0.0000   75.137   9.8786  ?   ?       ?      ? 
1 1 1  -46    3   54 o   40.761   10.241   12.483   6.8467   10.852   8.4781   15.541   11.609   37.819   13.317   43.704   15.563 -5.884701 20.48283 
1 1 1  -46    3   55 o   46.225   10.175   16.343   7.0140   11.323   8.8314   24.919   11.543   38.413   13.585   54.038   15.151 -15.62537 20.34974 
1 1 1  -46    3   56 o   30.223   8.9138   2.1055   6.6897   8.5690   8.4911  -8.4711   10.862   35.004   13.171   25.441   12.015 9.562662 17.82760 
1 1 1  -46    3   57 f   49.713   9.6650   17.192   7.2235   6.9306   8.9851   35.943   12.146   33.543   13.292   65.882   14.034 -32.33928 19.32992 
1 1 1  -46    3   58 o   46.686   11.402   18.898   8.7303   21.440   13.105   16.869   11.706   48.904   16.586   44.468   15.650 4.436111 22.80339 
1 1 1  -46    3   59 o   55.062   11.538   27.081   9.2201   32.090   13.870   23.116   12.342   59.376   16.595   50.749   16.035 8.627434 23.07620 
1 1 1  -46    3   60 o   77.518   10.628   52.587   10.790   35.442   15.407   69.091   15.116   61.084   17.632   93.952   11.873 -32.86861 21.25632 
1 1 1  -46    3   61 o   58.693   11.698   32.036   9.8783   25.965   13.976   38.097   13.964   52.281   17.114   65.104   15.953 -12.82280 23.39633 
1 1 1  -46    3   62 o   50.926   16.456   24.354   12.942   0.0000   0.0000   24.354   12.942  ?   ?    50.926   16.456      ?      ? 
1 1 1  -46    3   63 o   31.153   13.945   1.1295   12.111   0.0000   0.0000   1.1295   12.111  ?   ?    31.153   13.945      ?      ? 
1 1 1  -46    3   64 o   79.330   14.736   55.149   15.258   0.0000   0.0000   55.149   15.258  ?   ?    79.330   14.736      ?      ? 
1 1 1  -46    3   65 o   31.737   14.046   2.9606   11.938   0.0000   0.0000   2.9606   11.938  ?   ?    31.737   14.046      ?      ? 
1 1 1  -46    3   66 o   84.380   13.804   61.304   15.785   0.0000   0.0000   61.304   15.785  ?   ?    84.380   13.804      ?      ? 
1 1 1  -46    4    1 o  103.840   7.8531   76.618   11.051   76.618   11.051   0.0000   0.0000  103.840   7.8531  ?   ?       ?      ? 
1 1 1  -46    4    2 f   64.366   10.289   30.389   8.9744   30.389   8.9744   0.0000   0.0000   64.366   10.289  ?   ?       ?      ? 
1 1 1  -46    4    3 o   63.826   10.173   29.801   8.7990   29.801   8.7990   0.0000   0.0000   63.826   10.173  ?   ?       ?      ? 
1 1 1  -46    4    4 o   83.036   8.7027   49.411   9.7927   49.411   9.7927   0.0000   0.0000   83.036   8.7027  ?   ?       ?      ? 
1 1 1  -46    4    5 o   70.882   9.5042   36.357   9.1292   36.357   9.1292   0.0000   0.0000   70.882   9.5042  ?   ?       ?      ? 
1 1 1  -46    4    6 o   70.743   9.6206   36.246   9.2230   36.246   9.2230   0.0000   0.0000   70.743   9.6206  ?   ?       ?      ? 
1 1 1  -46    4    7 o  100.976   7.9406   72.295   10.866   72.295   10.866   0.0000   0.0000  100.976   7.9406  ?   ?       ?      ? 
1 1 1  -46    4    8 o  162.901   4.8258  186.229   10.633  178.482   15.290  193.484   14.796  159.412   7.0777  166.389   6.5620 -6.977173 9.651619 
1 1 1  -46    4    9 o  112.714   6.2165   89.743   9.2302   86.100   11.662   95.851   15.101  110.326   7.8007  115.102   9.6814 -4.776070 12.43300 
1 1 1  -46    4   10 o  111.472   6.1654   85.992   9.0849   76.862   11.431  101.650   14.969  104.085   8.1041  118.858   9.2938 -14.77357 12.33088 
1 1 1  -46    4   11 o  100.082   5.5218   71.260   7.4255   66.239   10.974   75.501   10.085   96.487   8.3927  103.678   7.1780 -7.191170 11.04358 
1 1 1  -46    4   12 o  189.750   4.8119  251.789   12.334  253.770   18.204  250.107   16.771  190.208   7.0623  189.292   6.5378 0.9168549 9.623891 
1 1 1  -46    4   13 o   47.860   8.5118   18.152   5.6311   13.141   8.4455   22.164   7.5556   41.404   13.284   54.316   10.646 -12.91152 17.02365 
1 1 1  -46    4   14 o  107.733   5.3473   81.384   7.7803   86.435   11.596   77.248   10.493  110.665   7.7322  104.801   7.3884 5.864120 10.69459 
1 1 1  -46    4   15 o  140.864   4.9661  138.703   9.4570  143.723   13.954  134.440   12.861  143.100   7.1960  138.629   6.8459 4.470642 9.932219 
1 1 1  -46    4   16 o   67.441   7.0183   32.770   6.3879   34.427   9.5546   31.431   8.5899   68.837   10.243   66.045   9.5976 2.791504 14.03654 
1 1 1  -46    4   17 o  182.268   6.1383  236.789   14.356  237.018   17.716  236.351   24.503  183.871   7.1099  180.665   10.008 3.206146 12.27665 
1 1 1  -46    4   18 o   70.558   9.3563   41.166   8.1185   47.866   10.146   29.242   13.535   81.740   9.1601   59.377   16.317 22.36298 18.71262 
1 1 1  -46    4   19 o  171.061   4.9782  205.133   11.526  200.679   16.597  209.281   16.017  169.102   7.2428  173.018   6.8315 -3.916077 9.956320 
1 1 1  -46    4   20 o   92.313   5.9413   60.450   7.4186   61.504   10.861   59.527   10.157   92.955   8.6223   91.671   8.1762 1.283905 11.88254 
1 1 1  -46    4   21 o  174.028   4.9849  212.356   11.735  207.520   16.986  216.772   16.231  171.933   7.2904  176.123   6.8006 -4.189697 9.969853 
1 1 1  -46    4   22 o  130.352   5.8006  117.519   9.6691  111.953   11.749  129.198   17.020  126.544   6.8515  134.159   9.3618 -7.615623 11.60114 
1 1 1  -46    4   23 o  111.740   6.4173   93.740   8.9031  102.947   11.004   76.291   15.149  121.436   6.6868  102.043   10.955 19.39337 12.83455 
1 1 1  -46    4   24 o  123.970   5.9558  108.150   9.4055  106.238   11.465  112.086   16.448  123.265   6.8635  124.675   9.7356 -1.410172 11.91170 
1 1 1  -46    4   25 o  174.307   5.4908  215.329   11.532  216.713   13.565  211.722   21.897  176.929   5.6577  171.684   9.4119 5.244827 10.98154 
1 1 1  -46    4   26 o  108.272   6.0625   83.901   7.8855   84.572   9.2694   82.142   15.002  110.289   6.2020  106.254   10.419 4.034782 12.12508 
1 1 1  -46    4   27 o  164.983   5.4388  184.657   10.867  176.168   12.660  208.421   21.181  159.391   5.8611  170.574   9.1634 -11.18338 10.87758 
1 1 1  -46    4   28 o   68.964   8.0827   37.488   6.3782   40.081   7.5513   31.033   11.914   75.520   7.3787   62.408   14.383 13.11158 16.16537 
1 1 1  -46    4   29 o  182.480   5.5084  235.961   12.137  237.248   14.292  232.630   22.984  185.072   5.6988  179.888   9.4285 5.183624 11.01689 
1 1 1  -46    4   30 f   80.851   7.6892   48.094   8.2968   49.232   10.940   46.553   12.729   82.566   9.7775   79.137   11.870 3.428513 15.37832 
1 1 1  -46    4   31 f  132.252   6.2884  124.935   11.048  124.698   14.300  125.284   17.399  132.789   7.9470  131.715   9.7478 1.073318 12.57674 
1 1 1  -46    4   32 o  116.450   5.8909   97.168   8.3257   98.360   9.8573   94.201   15.551  118.946   6.1154  113.955   10.070 4.990898 11.78185 
1 1 1  -46    4   33 o   57.053   8.7976   25.307   6.1467   25.981   7.2578   23.598   11.560   60.278   8.8852   53.829   15.187 6.448563 17.59522 
1 1 1  -46    4   34 o  192.519   5.8748  260.952   14.717  254.747   18.336  272.188   24.673  190.537   7.1014  194.501   9.3608 -3.963608 11.74969 
1 1 1  -46    4   35 o   99.781   6.8940   73.244   8.8855   76.776   11.210   67.274   14.574  104.137   7.9437   95.426   11.270 8.710899 13.78807 
1 1 1  -46    4   36 o  117.696   6.1061   98.949   9.1873   98.560   15.785   99.148   11.298  116.504   9.9979  118.888   7.0128 -2.383904 12.21219 
1 1 1  -46    4   37 o  109.274   6.4019   86.104   9.0306   87.166   11.256   84.186   15.127  111.200   7.4698  107.347   10.399 3.853348 12.80375 
1 1 1  -46    4   38 o  162.357   5.9032  186.547   12.398  183.837   15.372  191.590   20.970  161.841   7.0090  162.873   9.5009 -1.032516 11.80649 
1 1 1  -46    4   39 o  104.413   5.4604   76.158   7.6498   92.794   11.472   62.835   10.266  114.747   7.3773   94.078   8.0522 20.66909 10.92071 
1 1 1  -46    4   40 o   81.242   7.7220   49.117   8.0834   50.303   10.108   47.012   13.465   83.725   8.9086   78.759   12.616 4.965225 15.44408 
1 1 1  -46    4   41 o   83.390   8.5508   52.327   9.6534   54.672   13.644   49.975   13.660   85.473   11.779   81.306   12.398 4.167732 17.10163 
1 1 1  -46    4   42 o  104.735   5.4680   78.177   7.6944   73.062   11.398   82.460   10.429  101.215   8.3099  108.255   7.1094 -7.040092 10.93606 
1 1 1  -46    4   43 o   81.818   6.1035   48.155   6.7156   46.009   9.9802   49.930   9.0784   79.829   9.2257   83.806   7.9937 -3.977264 12.20706 
1 1 1  -46    4   44 o   76.879   6.5111   43.440   6.6307   34.873   9.6338   51.151   9.1401   68.939   10.312   84.819   7.9520 -15.88004 13.02212 
1 1 1  -46    4   45 o  109.353   5.4240   84.537   8.0205   88.585   11.821   81.083   10.918  111.682   7.8109  107.024   7.5279 4.658440 10.84802 
1 1 1  -46    4   46 o  105.231   5.5222   78.258   7.8522   85.057   11.646   72.590   10.633  109.368   7.8576  101.094   7.7614 8.274284 11.04446 
1 1 1  -46    4   47 o   49.926   8.1749   20.358   5.9152   9.1065   8.9074   29.234   7.9115   36.314   13.524   63.538   9.1885 -27.22453 16.34990 
1 1 1  -46    4   48 o   34.927   10.035   5.9760   7.6731   0.7780   11.412   10.265   10.366   31.531   13.853   38.324   14.522 -6.792938 20.06965 
1 1 1  -46    4   49 o   65.930   8.7455   31.967   7.5016   25.678   9.4482   42.693   12.339   57.019   12.566   74.841   12.166 -17.82200 17.49094 
1 1 1  -46    4   50 o  114.962   6.4146   90.757   9.6686   76.466   11.962  117.685   16.421  103.024   8.5681  126.900   9.5487 -23.87541 12.82923 
1 1 1  -46    4   51 o   92.299   7.0309   61.858   8.5580   58.936   10.827   66.722   13.971   90.200   8.8577   94.399   10.921 -4.198669 14.06188 
1 1 1  -46    4   52 o   83.728   7.4029   51.410   8.1299   49.092   10.208   55.429   13.443   82.058   9.1802   85.398   11.616 -3.340744 14.80578 
1 1 1  -46    4   53 o   94.140   7.2406   67.183   8.7831   71.200   11.116   60.506   14.330   99.426   8.2500   88.853   11.901 10.57275 14.48115 
1 1 1  -46    4   54 o  175.238   7.2552  218.482   17.229  218.482   17.229   0.0000   0.0000  175.238   7.2552  ?   ?       ?      ? 
1 1 1  -46    4   55 o   73.458   8.6799   41.364   8.1745   38.576   10.257   46.217   13.533   71.643   10.565   75.273   13.775 -3.630814 17.35988 
1 1 1  -46    4   56 o  108.564   8.5324   93.122   12.203   74.805   17.850  109.197   16.721   96.382   13.667  120.746   10.219 -24.36412 17.06473 
1 1 1  -46    4   57 o  123.171   7.9578  116.974   13.175  107.365   19.218  125.495   18.098  117.258   12.094  129.083   10.346 -11.82539 15.91568 
1 1 1  -46    4   58 o   98.157   8.9581   77.100   11.694   63.101   16.654   90.716   16.425   87.663   14.019  108.650   11.156 -20.98762 17.91611 
1 1 1  -46    4   59 o   58.511   11.577   31.424   9.6347   26.978   13.648   35.841   13.603   53.721   16.847   63.301   15.884 -9.579731 23.15420 
1 1 1  -46    4   60 o   30.691   8.9204  -7.6475   7.8155 -31.1324   11.041   15.934   11.064   18.510   9.3396   42.872   15.201 -24.36147 17.84072 
1 1 1  -46    4   61 o   81.475   10.183   57.133   10.710   42.291   15.152   71.949   15.139   67.479   16.668   95.470   11.702 -27.99188 20.36563 
1 1 1  -46    4   62 o   66.141   11.491   40.185   10.194   44.773   15.258   36.487   13.700   69.433   16.466   62.848   16.034 6.585583 22.98285 
1 1 1  -46    4   63 o   61.336   16.294   35.558   13.773   0.0000   0.0000   35.558   13.773  ?   ?    61.336   16.294      ?      ? 
1 1 1  -46    4   64 o   76.664   15.187   52.934   15.219   0.0000   0.0000   52.934   15.219  ?   ?    76.664   15.187      ?      ? 
1 1 1  -46    4   65 o   84.113   13.960   61.332   15.912   0.0000   0.0000   61.332   15.912  ?   ?    84.113   13.960      ?      ? 
1 1 1  -46    4   66 o   80.940   14.921   59.594   15.764   0.0000   0.0000   59.594   15.764  ?   ?    80.940   14.921      ?      ? 
1 1 1  -46    4   67 o   55.206   17.265   32.409   14.345   0.0000   0.0000   32.409   14.345  ?   ?    55.206   17.265      ?      ? 
1 1 1  -46    5    1 o   76.649   9.0451   42.493   9.3951   42.493   9.3951   0.0000   0.0000   76.649   9.0451  ?   ?       ?      ? 
1 1 1  -46    5    2 o  137.286   7.3043  133.241   13.589  133.241   13.589   0.0000   0.0000  137.286   7.3043  ?   ?       ?      ? 
1 1 1  -46    5    3 o   94.343   8.3562   63.683   10.683   63.683   10.683   0.0000   0.0000   94.343   8.3562  ?   ?       ?      ? 
1 1 1  -46    5    4 o   87.517   8.6568   54.974   10.267   54.974   10.267   0.0000   0.0000   87.517   8.6568  ?   ?       ?      ? 
1 1 1  -46    5    5 o  100.018   7.9974   71.176   10.840   71.176   10.840   0.0000   0.0000  100.018   7.9974  ?   ?       ?      ? 
1 1 1  -46    5    6 o   61.753   11.321   29.037   9.1250   29.037   9.1250   0.0000   0.0000   61.753   11.321  ?   ?       ?      ? 
1 1 1  -46    5    7 o  140.570   7.2979  139.353   13.902  139.353   13.902   0.0000   0.0000  140.570   7.2979  ?   ?       ?      ? 
1 1 1  -46    5    8 o  182.109   7.0384  233.164   17.369  233.164   17.369   0.0000   0.0000  182.109   7.0384  ?   ?       ?      ? 
1 1 1  -46    5    9 o   87.702   8.7056   55.091   10.346   55.091   10.346   0.0000   0.0000   87.702   8.7056  ?   ?       ?      ? 
1 1 1  -46    5   10 o  128.581   7.5212  116.757   13.105  116.757   13.105   0.0000   0.0000  128.581   7.5212  ?   ?       ?      ? 
1 1 1  -46    5   11 o   63.047   15.609   32.816   13.265   32.816   13.265   0.0000   0.0000   63.047   15.609  ?   ?       ?      ? 
1 1 1  -46    5   12 o  158.775   10.370  184.329   22.312  184.329   22.312   0.0000   0.0000  158.775   10.370  ?   ?       ?      ? 
1 1 1  -46    5   13 o   84.782   9.1730   52.684   9.8213   80.249   15.535   34.331   12.676  104.320   10.989   65.244   14.691 39.07633 18.34600 
1 1 1  -46    5   14 o  101.790   7.8446   77.642   10.583   68.344   16.010   84.856   14.103   95.247   12.404  108.334   9.6066 -13.08700 15.68920 
1 1 1  -46    5   15 o   99.500   7.0441   71.021   8.4581   73.787   16.178   69.980   9.9221   99.297   12.023   99.703   7.3437 -0.4056396 14.08811 
1 1 1  -46    5   16 o  184.650   6.1126  244.234   13.918  241.086   25.439  245.579   16.627  181.786   10.327  187.514   6.5432 -5.727921 12.22521 
1 1 1  -46    5   17 o   82.781   6.1835   49.040   6.8653   48.463   10.430   49.482   9.1194   82.025   9.3835   83.537   8.0557 -1.512054 12.36708 
1 1 1  -46    5   18 o  112.907   5.3578   90.053   8.1529   88.483   12.109   91.355   11.027  111.753   7.9959  114.062   7.1338 -2.308250 10.71565 
1 1 1  -46    5   19 o   45.378   9.0856   16.063   5.8139   16.304   8.7585   15.873   7.7736   45.550   13.336   45.206   12.343 0.3438911 18.17116 
1 1 1  -46    5   20 o   59.690   10.076   28.502   7.7507   28.668   9.5404   28.180   13.292   61.231   11.927   58.149   16.243 3.082008 20.15155 
1 1 1  -46    5   21 f   49.414   9.5921   18.118   6.1915   18.118   6.1915   0.0000   0.0000   49.414   9.5921  ?   ?       ?      ? 
1 1 1  -46    5   22 o  126.972   5.5268  111.604   8.4678  108.804   9.8918  119.282   16.382  125.222   5.8292  128.722   9.3915 -3.499374 11.05353 
1 1 1  -46    5   23 o   83.263   7.3967   55.309   6.7252   60.317   7.8919   42.027   12.852   93.069   6.2574   73.458   13.405 19.61163 14.79330 
1 1 1  -46    5   24 o  116.366   5.7118   96.685   8.0498   97.647   9.5109   94.254   15.114  118.586   5.9184  114.147   9.7710 4.438927 11.42369 
1 1 1  -46    5   25 o   50.298   8.7466   19.569   5.4628   19.657   6.3894   19.331   10.532   51.563   9.4939   49.033   14.693 2.530495 17.49330 
1 1 1  -46    5   26 o   67.012   8.2636   36.785   6.1383   40.052   7.1622   27.744   11.913   75.583   6.9926   58.440   14.975 17.14262 16.52720 
1 1 1  -46    5   27 o   45.652   8.8996   12.924   5.3821   8.1094   6.2804   26.233   10.443   33.729   11.482   57.574   13.601 -23.84529 17.79921 
1 1 1  -46    5   28 o  111.456   6.2218   87.361   9.0479   83.527   11.265   94.333   15.189  108.785   7.6412  114.128   9.8211 -5.343842 12.44358 
1 1 1  -46    5   29 o   80.892   7.1489   46.841   7.5488   44.854   9.4129   50.422   12.636   79.209   8.7694   82.575   11.293 -3.365585 14.29775 
1 1 1  -46    5   30 o  189.268   5.7744  249.227   14.187  236.979   17.523  272.529   24.170  183.771   7.0365  194.764   9.1577 -10.99243 11.54882 
1 1 1  -46    5   31 o  101.946   6.2312   74.224   7.8222   74.045   9.3171   74.651   14.398  102.890   6.6823  101.002   10.519 1.887596 12.46240 
1 1 1  -46    5   32 o  108.943   6.8271   87.187   9.8399   94.092   12.982   77.862   15.086  114.976   8.3317  102.910   10.817 12.06661 13.65412 
1 1 1  -46    5   33 o   73.147   8.5838   39.384   8.1180   28.751   10.632   54.248   12.570   60.405   13.345   85.889   10.800 -25.48388 17.16770 
1 1 1  -46    5   34 o  141.927   5.6154  140.384   9.7600  137.149   11.515  148.638   18.392  140.392   6.0526  143.461   9.4603 -3.069733 11.23086 
1 1 1  -46    5   35 o   51.449   9.2517   21.333   6.1815   22.345   7.3981   18.990   11.251   54.564   10.385   48.335   15.314 6.228882 18.50345 
1 1 1  -46    5   36 o  135.621   6.8332  132.974   12.518  119.159   17.285  148.213   18.153  127.948   9.9687  143.295   9.3486 -15.34647 13.66647 
1 1 1  -46    5   37 o   89.728   6.6489   55.885   7.5695   51.868   9.0912   64.963   13.668   85.534   7.8433   93.922   10.738 -8.388008 13.29781 
1 1 1  -46    5   38 o  190.857   6.0728  258.612   14.796  254.567   18.089  266.789   25.719  190.306   7.0143  191.408   9.9154 -1.101288 12.14556 
1 1 1  -46    5   39 o  149.458   6.0032  157.498   11.590  152.443   14.289  167.218   19.814  147.126   7.1670  151.790   9.6326 -4.663544 12.00636 
1 1 1  -46    5   40 o   76.648   6.4739   43.007   6.5941   34.929   9.5255   50.439   9.1374   69.082   10.175   84.213   8.0068 -15.13187 12.94774 
1 1 1  -46    5   41 o   86.831   5.9173   54.121   6.9238   50.756   10.114   57.089   9.4988   83.992   8.8855   89.671   7.8169 -5.678085 11.83453 
1 1 1  -46    5   42 o   99.952   5.6024   70.655   7.5630   76.016   11.276   66.271   10.197  103.300   8.0549   96.605   7.7890 6.695145 11.20489 
1 1 1  -46    5   43 o  113.027   5.3447   90.229   8.1581   94.009   12.139   87.116   11.017  115.027   7.7875  111.028   7.3223 3.998581 10.68931 
1 1 1  -46    5   44 o  151.630   6.0583  165.505   11.993  166.864   15.139  163.216   19.651  153.663   7.2700  149.596   9.6933 4.066849 12.11664 
1 1 1  -46    5   45 o   77.996   7.7432   45.346   7.9460   45.589   10.154   44.963   12.762   79.152   9.4670   76.839   12.256 2.312531 15.48644 
1 1 1  -46    5   46 o   61.059   9.1806   28.230   7.2811   21.600   9.2992   38.735   11.705   51.857   13.199   70.262   12.764 -18.40496 18.36113 
1 1 1  -46    5   47 o   86.025   7.4419   55.172   8.4042   56.279   10.749   53.432   13.480   88.140   8.9994   83.910   11.855 4.230469 14.88373 
1 1 1  -46    5   48 o   31.284   9.2035   3.1472   6.3768   0.1827   8.1805   7.7385   10.180   26.950   11.788   35.618   14.138 -8.667496 18.40709 
1 1 1  -46    5   49 o   81.553   9.7211   52.138   10.244   70.547   15.449   37.691   13.686   96.209   11.850   66.898   15.414 29.31091 19.44212 
1 1 1  -46    5   50 o   43.433   9.8126   15.722   7.0440   20.836   8.9394   7.3448   11.440   50.794   12.948   36.072   14.748 14.72218 19.62517 
1 1 1  -46    5   51 o   56.716   9.7946   26.116   7.3243   24.637   9.3609   28.450   11.762   55.390   12.737   58.041   14.883 -2.651043 19.58918 
1 1 1  -46    5   52 o   48.094   10.086   19.858   7.1811   22.714   9.1710   15.333   11.545   52.936   12.902   43.252   15.507 9.683743 20.17279 
1 1 1  -46    5   53 o   30.937   9.6193   1.2105   7.7051   2.1987   11.871   0.4911   10.128   32.433   14.192   29.441   12.989 2.991974 19.23869 
1 1 1  -46    5   54 o   67.086   10.839   38.730   9.6221   37.579   14.171   39.714   13.106   65.352   16.105   68.820   14.510 -3.467834 21.67807 
1 1 1  -46    5   55 o   65.902   15.647   37.900   13.765   37.900   13.765   0.0000   0.0000   65.902   15.647  ?   ?       ?      ? 
1 1 1  -46    5   56 o   66.832   11.026   39.263   9.7986   37.214   14.392   41.033   13.378   64.206   16.463   69.458   14.673 -5.251350 22.05268 
1 1 1  -46    5   57 o  124.529   7.9437  119.840   13.374  119.108   19.510  120.490   18.368  123.594   11.649  125.464   10.804 -1.869438 15.88741 
1 1 1  -46    5   58 o   75.833   10.508   50.313   10.468   36.293   15.000   63.624   14.615   61.937   17.238   89.728   12.020 -27.79096 21.01524 
1 1 1  -46    5   59 o   53.089   11.580   26.412   9.3038   31.253   13.202   21.637   13.114   58.152   16.168   48.027   16.583 10.12441 23.16031 
1 1 1  -46    5   60 o   66.804   10.738   39.768   9.9451   27.319   13.755   53.403   14.395   53.104   16.945   80.504   13.195 -27.40014 21.47660 
1 1 1  -46    5   61 o   32.444   10.006   3.6018   8.4407   7.5065   11.464  -1.0205   12.473   34.749   14.536   30.139   13.754 4.609941 20.01168 
1 1 1  -46    5   62 o   38.965   10.926   11.374   8.9191   4.2405   12.164   19.667   13.116   32.742   14.346   45.187   16.483 -12.44417 21.85143 
1 1 1  -46    5   63 o   77.096   15.773   54.922   15.923   0.0000   0.0000   54.922   15.923  ?   ?    77.096   15.773      ?      ? 
1 1 1  -46    5   64 o   63.800   17.242   41.148   15.261   0.0000   0.0000   41.148   15.261  ?   ?    63.800   17.242      ?      ? 
1 1 1  -46    5   65 o  129.414   11.804  137.870   20.700   0.0000   0.0000  137.870   20.700  ?   ?   129.414   11.804      ?      ? 
1 1 1  -46    5   66 o  105.369   13.066   96.024   18.657   0.0000   0.0000   96.024   18.657  ?   ?   105.369   13.066      ?      ? 
1 1 1  -46    5   67 o  120.090   12.537  123.860   20.403   0.0000   0.0000  123.860   20.403  ?   ?   120.090   12.537      ?      ? 
1 1 1  -46    6    1 o  113.969   7.5580   92.416   11.673   92.416   11.673   0.0000   0.0000  113.969   7.5580  ?   ?       ?      ? 
1 1 1  -46    6    2 o  114.853   7.5987   93.828   11.827   93.828   11.827   0.0000   0.0000  114.853   7.5987  ?   ?       ?      ? 
1 1 1  -46    6    3 o   36.731   12.944   9.9581   8.0108   9.9581   8.0108   0.0000   0.0000   36.731   12.944  ?   ?       ?      ? 
1 1 1  -46    6    4 o   75.503   9.2959   41.415   9.5112   41.415   9.5112   0.0000   0.0000   75.503   9.2959  ?   ?       ?      ? 
1 1 1  -46    6    5 o   94.878   8.3280   64.482   10.708   64.482   10.708   0.0000   0.0000   94.878   8.3280  ?   ?       ?      ? 
1 1 1  -46    6    6 o  135.475   7.3569  129.842   13.506  129.842   13.506   0.0000   0.0000  135.475   7.3569  ?   ?       ?      ? 
1 1 1  -46    6    7 o   40.820   13.364   12.962   8.5225   12.962   8.5225   0.0000   0.0000   40.820   13.364  ?   ?       ?      ? 
1 1 1  -46    6    8 o   50.327   12.579   19.992   8.5551   19.992   8.5551   0.0000   0.0000   50.327   12.579  ?   ?       ?      ? 
1 1 1  -46    6    9 o   92.780   8.4006   61.577   10.562   61.577   10.562   0.0000   0.0000   92.780   8.4006  ?   ?       ?      ? 
1 1 1  -46    6   10 o   70.456   9.9668   36.254   9.5161   36.254   9.5161   0.0000   0.0000   70.456   9.9668  ?   ?       ?      ? 
1 1 1  -46    6   11 o  118.309   7.7527   99.274   12.430   99.274   12.430   0.0000   0.0000  118.309   7.7527  ?   ?       ?      ? 
1 1 1  -46    6   12 o   74.276   9.7041   40.100   9.7676   40.100   9.7676   0.0000   0.0000   74.276   9.7041  ?   ?       ?      ? 
1 1 1  -46    6   13 o  110.638   7.9627   86.975   11.938   86.975   11.938   0.0000   0.0000  110.638   7.9627  ?   ?       ?      ? 
1 1 1  -46    6   14 o   41.318   13.405   13.230   8.5821   13.230   8.5821   0.0000   0.0000   41.318   13.405  ?   ?       ?      ? 
1 1 1  -46    6   15 o  115.931   7.9489   95.436   12.488   95.436   12.488   0.0000   0.0000  115.931   7.9489  ?   ?       ?      ? 
1 1 1  -46    6   16 o  166.736   7.3125  195.989   16.523  195.989   16.523   0.0000   0.0000  166.736   7.3125  ?   ?       ?      ? 
1 1 1  -46    6   17 o  122.103   7.9266  105.800   13.116  105.800   13.116   0.0000   0.0000  122.103   7.9266  ?   ?       ?      ? 
1 1 1  -46    6   18 o   72.586   6.9576   38.523   6.7436   36.657   10.276   39.934   8.9372   70.559   10.747   74.614   8.8390 -4.055054 13.91517 
1 1 1  -46    6   19 o   46.816   8.8617   17.643   5.8119   13.556   9.1201   20.438   7.5416   41.852   13.831   51.780   11.082 -9.928013 17.72333 
1 1 1  -46    6   20 o  137.812   5.6926  134.592   10.189  133.798   12.721  136.014   17.018  138.161   6.7943  137.462   9.1356 0.6989746 11.38517 
1 1 1  -46    6   21 o   43.278   8.3590   15.786   5.7791   22.326   7.1284   3.2432   9.8716   54.722   9.9804   31.834   13.412 22.88797 16.71796 
1 1 1  -46    6   22 o   96.792   6.3089   66.393   7.8819   64.464   9.7178   70.102   13.475   95.556   7.5046   98.028   10.144 -2.472054 12.61789 
1 1 1  -46    6   23 o   26.053   10.753   2.2641   6.1546   2.2641   6.1546   0.0000   0.0000   26.053   10.753  ?   ?       ?      ? 
1 1 1  -46    6   24 o   91.198   6.4855   58.121   8.0152   58.121   8.0152   0.0000   0.0000   91.198   6.4855  ?   ?       ?      ? 
1 1 1  -46    6   25 o   62.060   8.0804   28.577   5.8170   28.079   6.7556   30.004   11.440   62.918   7.9233   61.203   14.085 1.715874 16.16081 
1 1 1  -46    6   26 o  134.621   5.6254  128.366   9.1327  128.123   10.729  129.004   17.401  135.797   5.8303  133.445   9.6224 2.352646 11.25089 
1 1 1  -46    6   27 o   33.799   9.0674   5.5627   5.1358   3.2952   5.9376   12.298   10.234   26.900   10.758   40.698   14.599 -13.79780 18.13472 
1 1 1  -46    6   28 f   73.618   7.5377   40.686   6.3649   41.291   7.4558   39.059   12.222   76.595   7.1830   70.641   13.254 5.954201 15.07532 
1 1 1  -46    6   29 o  116.775   5.8221   95.212   8.2633   92.827   9.6997  101.525   15.779  115.387   6.2032  118.163   9.8544 -2.775986 11.64425 
1 1 1  -46    6   30 o  158.749   5.4227  171.893   10.474  163.995   12.240  193.492   20.241  153.578   5.8813  163.919   9.1121 -10.34033 10.84534 
1 1 1  -46    6   31 o  122.378   6.9068  108.407   11.408   95.868   15.670  122.547   16.640  114.599   10.090  130.157   9.4342 -15.55782 13.81368 
1 1 1  -46    6   32 o   46.287   10.287   17.258   7.2330   18.982   9.9750   15.348   10.503   48.491   14.242   44.084   14.849 4.406990 20.57498 
1 1 1  -46    6   33 o  113.108   5.7165   88.199   8.1189   83.686   9.6972   98.777   14.847  109.353   6.5438  116.863   9.3751 -7.510757 11.43305 
1 1 1  -46    6   34 o   61.527   9.4401   29.719   7.6356   25.892   10.325   34.338   11.344   56.936   13.573   66.118   13.124 -9.181255 18.88018 
1 1 1  -46    6   35 o  124.803   5.8401  111.216   9.0386  111.395   10.830  110.804   16.407  126.267   6.3293  123.338   9.8166 2.928986 11.68013 
1 1 1  -46    6   36 o   84.636   6.6428   51.140   7.0458   49.909   8.4621   53.923   12.722   84.025   7.4318   85.248   11.012 -1.223862 13.28554 
1 1 1  -46    6   37 o   92.912   6.4153   60.596   7.4953   57.802   8.9788   67.018   13.614   90.465   7.3241   95.360   10.535 -4.894730 12.83057 
1 1 1  -46    6   38 o   51.207   8.7682   16.954   5.8933   9.9486   7.0026   33.963   10.911   36.476   12.123   65.938   12.672 -29.46132 17.53643 
1 1 1  -46    6   39 o   43.485   9.3102   15.484   6.0170   17.704   7.3513   10.978   10.473   47.786   11.493   39.185   14.650 8.600872 18.62036 
1 1 1  -46    6   40 o  118.676   7.6495   99.980   12.302   99.980   12.302   0.0000   0.0000  118.676   7.6495  ?   ?       ?      ? 
1 1 1  -46    6   41 o   97.924   8.3728   68.730   11.111   68.730   11.111   0.0000   0.0000   97.924   8.3728  ?   ?       ?      ? 
1 1 1  -46    6   42 o   67.836   8.7865   35.562   7.6654   35.459   9.7787   35.726   12.346   69.267   10.418   66.404   14.152 2.863747 17.57307 
1 1 1  -46    6   43 o   54.241   9.9131   24.263   7.2564   25.230   9.2596   22.723   11.682   56.581   12.417   51.901   15.456 4.680485 19.82619 
1 1 1  -46    6   44 o  127.541   6.2210  115.939   10.387  111.328   13.009  124.051   17.254  125.044   7.6769  130.040   9.7914 -4.995827 12.44208 
1 1 1  -46    6   45 o  122.860   6.3306  108.862   10.203  107.053   12.887  111.901   16.701  122.501   7.7629  123.219   10.002 -0.7177277 12.66121 
1 1 1  -46    6   46 o   76.373   8.6404   47.704   8.1077   57.403   10.576   33.876   12.627   89.036   8.7651   63.711   14.893 25.32489 17.28080 
1 1 1  -46    6   47 o   87.684   7.2173   53.773   8.3247   41.586   10.453   74.902   13.764   74.799   10.313  100.568   10.100 -25.76900 14.43453 
1 1 1  -46    6   48 o   76.036   7.9096   41.736   7.9385   35.082   9.9440   53.429   13.182   68.382   10.731   83.690   11.623 -15.30820 15.81918 
1 1 1  -46    6   49 o   71.510   10.438   43.590   9.9597   29.687   14.350   56.514   13.835   57.301   17.145   85.719   11.910 -28.41800 20.87622 
1 1 1  -46    6   50 o   44.318   15.614   16.473   11.656   0.0000   0.0000   16.473   11.656  ?   ?    44.318   15.614      ?      ? 
1 1 1  -46    6   51 o   62.102   11.010   33.919   9.3275   28.892   13.762   38.191   12.686   56.498   16.765   67.707   14.276 -11.20835 22.01948 
1 1 1  -46    6   52 o   71.765   10.343   43.027   9.6853   47.556   14.472   39.353   13.034   75.146   14.738   68.384   14.515 6.761963 20.68547 
1 1 1  -46    6   53 o   68.825   10.794   40.545   9.7779   45.533   14.603   36.492   13.164   72.725   15.302   64.925   15.226 7.800468 21.58714 
1 1 1  -46    6   54 o   62.632   11.083   35.512   9.6173   26.842   14.070   43.116   13.176   53.490   17.145   71.774   14.050 -18.28316 22.16609 
1 1 1  -46    6   55 o   78.430   10.703   52.878   11.077   41.731   15.364   64.945   15.984   67.321   16.874   89.538   13.173 -22.21702 21.40678 
1 1 1  -46    6   56 o   46.160   16.450   19.508   12.973   19.508   12.973   0.0000   0.0000   46.160   16.450  ?   ?       ?      ? 
1 1 1  -46    6   57 o   43.493   11.419   16.757   9.0380   13.622   12.655   20.021   12.912   40.561   15.867   46.425   16.426 -5.864040 22.83737 
1 1 1  -46    6   58 o   51.881   11.106   24.933   9.3817   37.026   13.188   12.543   13.349   64.134   15.374   39.627   16.031 24.50759 22.21116 
1 1 1  -46    6   59 o   73.075   10.757   47.796   10.509   38.019   14.752   57.869   14.974   62.764   16.947   83.386   13.252 -20.62257 21.51299 
1 1 1  -46    6   60 o   55.249   11.774   29.884   9.5783   27.073   13.405   32.816   13.691   52.344   16.730   58.154   16.570 -5.809284 23.54703 
1 1 1  -46    6   61 o   49.675   11.133   22.771   9.5566   8.7851   13.215   38.106   13.837   36.109   15.379   63.242   16.103 -27.13316 22.26669 
1 1 1  -46    6   62 o   76.223   10.784   53.527   10.919   37.191   15.086   71.500   15.823   60.004   17.484   92.443   12.631 -32.43902 21.56888 
1 1 1  -46    6   63 o   36.478   10.728   10.044   8.9720   14.975   12.533   4.8621   12.849   40.046   15.753   32.910   14.569 7.136288 21.45665 
1 1 1  -46    6   64 o   34.360   14.947   7.5431   12.999   0.0000   0.0000   7.5431   12.999  ?   ?    34.360   14.947      ?      ? 
1 1 1  -46    6   65 f   65.672   17.210   45.271   15.501   0.0000   0.0000   45.271   15.501  ?   ?    65.672   17.210      ?      ? 
1 1 1  -46    7    1 o  157.352   10.090  184.001   21.516  184.001   21.516   0.0000   0.0000  157.352   10.090  ?   ?       ?      ? 
1 1 1  -46    7    2 o   89.070   12.013   60.990   14.500   60.990   14.500   0.0000   0.0000   89.070   12.013  ?   ?       ?      ? 
1 1 1  -46    7    3 o   60.923   14.969   31.244   12.270   31.244   12.270   0.0000   0.0000   60.923   14.969  ?   ?       ?      ? 
1 1 1  -46    7    4 o   56.739   15.432   27.450   12.180   27.450   12.180   0.0000   0.0000   56.739   15.432  ?   ?       ?      ? 
1 1 1  -46    7    5 o  134.671   10.605  135.148   19.354  135.148   19.354   0.0000   0.0000  134.671   10.605  ?   ?       ?      ? 
1 1 1  -46    7    6 o   46.844   15.740   18.355   11.802   18.355   11.802   0.0000   0.0000   46.844   15.740  ?   ?       ?      ? 
1 1 1  -46    7    7 f   92.040   12.037   64.578   15.014   64.578   15.014   0.0000   0.0000   92.040   12.037  ?   ?       ?      ? 
1 1 1  -46    7    8 o  131.265   10.767  128.290   19.152  128.290   19.152   0.0000   0.0000  131.265   10.767  ?   ?       ?      ? 
1 1 1  -46    7    9 o   48.517   16.102   19.818   12.356   19.818   12.356   0.0000   0.0000   48.517   16.102  ?   ?       ?      ? 
1 1 1  -46    7   10 o   73.322   14.441   43.603   13.838   43.603   13.838   0.0000   0.0000   73.322   14.441  ?   ?       ?      ? 
1 1 1  -46    7   11 o   50.433   13.033   20.338   8.9715   20.338   8.9715   0.0000   0.0000   50.433   13.033  ?   ?       ?      ? 
1 1 1  -46    7   12 o   48.735   13.236   19.051   8.9673   19.051   8.9673   0.0000   0.0000   48.735   13.236  ?   ?       ?      ? 
1 1 1  -46    7   13 o   65.045   10.689   31.335   9.4214   31.335   9.4214   0.0000   0.0000   65.045   10.689  ?   ?       ?      ? 
1 1 1  -46    7   14 o   29.638   12.241   3.4534   7.9835   3.4534   7.9835   0.0000   0.0000   29.638   12.241  ?   ?       ?      ? 
1 1 1  -46    7   15 o   80.526   9.3379   47.019   10.190   47.019   10.190   0.0000   0.0000   80.526   9.3379  ?   ?       ?      ? 
1 1 1  -46    7   16 o  109.486   8.2462   85.644   12.235   85.644   12.235   0.0000   0.0000  109.486   8.2462  ?   ?       ?      ? 
1 1 1  -46    7   17 o  128.754   7.7824  117.749   13.579  117.749   13.579   0.0000   0.0000  128.754   7.7824  ?   ?       ?      ? 
1 1 1  -46    7   18 o   94.689   8.7782   64.471   11.264   64.471   11.264   0.0000   0.0000   94.689   8.7782  ?   ?       ?      ? 
1 1 1  -46    7   19 o  113.904   8.1691   92.556   12.610   92.556   12.610   0.0000   0.0000  113.904   8.1691  ?   ?       ?      ? 
1 1 1  -46    7   20 o   78.746   9.9606   45.310   10.629   45.310   10.629   0.0000   0.0000   78.746   9.9606  ?   ?       ?      ? 
1 1 1  -46    7   21 o  126.006   7.9974  113.012   13.656  113.012   13.656   0.0000   0.0000  126.006   7.9974  ?   ?       ?      ? 
1 1 1  -46    7   22 o   77.975   9.9671   44.425   10.532   44.425   10.532   0.0000   0.0000   77.975   9.9671  ?   ?       ?      ? 
1 1 1  -46    7   23 o  117.387   8.2596   98.389   13.139   98.389   13.139   0.0000   0.0000  117.387   8.2596  ?   ?       ?      ? 
1 1 1  -46    7   24 o   65.126   8.0012   32.853   6.1018   34.027   7.2373   29.969   11.347   69.260   7.7110   60.992   14.022 8.267754 16.00233 
1 1 1  -46    7   25 o  121.726   6.0571  103.305   9.9915  103.305   9.9915   0.0000   0.0000  121.726   6.0571  ?   ?       ?      ? 
1 1 1  -46    7   26 o   72.555   7.5808   37.289   7.4536   37.289   7.4536   0.0000   0.0000   72.555   7.5808  ?   ?       ?      ? 
1 1 1  -46    7   27 o  123.975   6.6174  111.091   11.099  102.831   15.316  120.224   16.106  119.014   9.4968  128.936   9.2179 -9.921173 13.23477 
1 1 1  -46    7   28 o  100.787   5.9864   68.485   7.5447   62.234   8.9160   84.248   14.159   94.026   6.9974  107.547   9.7151 -13.52052 11.97275 
1 1 1  -46    7   29 o  128.839   5.6299  115.723   8.8709  112.532   10.448  123.966   16.792  127.020   6.0697  130.657   9.4837 -3.636795 11.25973 
1 1 1  -46    7   30 o   97.497   6.2904   68.821   7.4469   69.330   8.8161   67.553   13.913   99.465   6.5407   95.529   10.747 3.935677 12.58090 
1 1 1  -46    7   31 o   52.117   8.5689   23.915   5.9126   28.575   7.0194   12.531   10.970   63.257   8.1886   40.978   15.055 22.27831 17.13775 
1 1 1  -46    7   32 o   56.035   8.6544   21.123   5.9606   15.721   6.9994   35.379   11.371   45.010   11.449   67.060   12.981 -22.05054 17.30870 
1 1 1  -46    7   33 o   59.609   8.4404   25.876   6.1283   23.883   7.2321   30.954   11.541   57.382   9.3005   61.836   14.088 -4.453953 16.88072 
1 1 1  -46    7   34 o   40.969   9.3517   10.963   5.6071   7.2215   6.6597   20.075   10.392   32.507   11.762   49.430   14.542 -16.92364 18.70335 
1 1 1  -46    7   35 o   55.435   10.695   24.165   8.4119   36.347   13.313   16.069   10.853   66.252   15.157   44.618   15.094 21.63412 21.39032 
1 1 1  -46    7   36 o   84.001   8.5926   52.299   9.6493   65.151   15.052   43.332   12.573   92.658   11.987   75.343   12.314 17.31492 17.18517 
1 1 1  -46    7   37 o   72.303   7.9434   39.724   7.3258   40.420   9.3401   38.612   11.809   74.597   9.2395   70.009   12.924 4.588020 15.88683 
1 1 1  -46    7   38 o  129.290   6.0231  118.184   10.228  112.036   12.835  128.880   16.929  125.578   7.5424  133.003   9.3928 -7.425156 12.04624 
1 1 1  -46    7   39 o  102.921   6.6315   77.938   8.9120   80.336   11.338   74.061   14.416  106.076   7.8876   99.767   10.663 6.309258 13.26295 
1 1 1  -46    7   40 o   42.309   8.9212   13.810   6.7278   23.874   8.7990  -0.3540   10.439   55.091   12.116   29.527   13.098 25.56380 17.84242 
1 1 1  -46    7   41 o  142.532   7.3954  144.334   14.284  144.334   14.284   0.0000   0.0000  142.532   7.3954  ?   ?       ?      ? 
1 1 1  -46    7   42 o   70.959   10.089   37.247   9.7012   37.247   9.7012   0.0000   0.0000   70.959   10.089  ?   ?       ?      ? 
1 1 1  -46    7   43 f   58.773   9.5154   27.873   7.2763   27.192   9.3008   28.947   11.682   58.767   12.082   58.778   14.703 -0.1066971E-01 19.03077 
1 1 1  -46    7   44 o   94.637   7.1690   66.585   8.9429   66.970   11.462   65.986   14.298   96.001   8.8103   93.272   11.312 2.728622 14.33790 
1 1 1  -46    7   45 o  155.625   7.2745  181.884   15.194  163.892   22.170  197.820   20.865  147.113   11.121  164.136   9.3808 -17.02278 14.54898 
1 1 1  -46    7   46 o  110.005   8.0779   93.723   11.783   80.402   17.523  104.715   15.919  101.205   12.777  118.805   9.8875 -17.59942 16.15580 
1 1 1  -46    7   47 o  129.549   7.5718  127.285   13.185  119.094   19.420  134.291   17.959  124.652   11.496  134.447   9.8572 -9.795326 15.14368 
1 1 1  -46    7   48 o   94.763   8.5008   70.151   10.812   65.244   15.955   74.317   14.701   90.669   12.986   98.856   10.974 -8.187233 17.00166 
1 1 1  -46    7   49 o   51.509   11.403   23.553   8.8535   27.158   13.106   20.526   12.008   54.820   16.382   48.199   15.867 6.621014 22.80636 
1 1 1  -46    7   50 o   57.408   15.644   29.209   12.503   0.0000   0.0000   29.209   12.503  ?   ?    57.408   15.644      ?      ? 
1 1 1  -46    7   51 o   92.638   11.831   67.085   14.853   0.0000   0.0000   67.085   14.853  ?   ?    92.638   11.831      ?      ? 
1 1 1  -46    7   52 o   76.526   9.9875   49.647   9.9314   35.712   14.014   63.707   14.077   62.593   16.344   90.460   11.483 -27.86635 19.97502 
1 1 1  -46    7   53 o   64.645   10.856   37.435   9.5313   28.724   13.512   46.064   13.447   55.325   16.656   73.965   13.927 -18.64081 21.71154 
1 1 1  -46    7   54 o   47.807   11.510   21.280   8.9404   20.102   12.744   22.422   12.545   46.577   16.333   49.037   16.222 -2.459946 23.02019 
1 1 1  -46    7   55 o   47.816   10.797   20.016   8.7166   31.830   12.545   8.9872   12.121   59.191   15.468   36.440   15.069 22.75088 21.59468 
1 1 1  -46    7   56 o   30.236   13.587   0.5924   11.617   0.5924   11.617   0.0000   0.0000   30.236   13.587  ?   ?       ?      ? 
1 1 1  -46    7   57 o   31.492   13.905   2.8670   11.631   2.8670   11.631   0.0000   0.0000   31.492   13.905  ?   ?       ?      ? 
1 1 1  -46    7   58 o   37.228   10.427   8.9647   8.7821   19.652   12.029  -3.2348   12.852   45.331   15.869   29.125   13.531 16.20556 20.85450 
1 1 1  -46    7   59 o   73.270   11.171   49.964   10.761   45.812   14.789   54.634   15.688   69.629   16.009   76.910   15.586 -7.280464 22.34283 
1 1 1  -46    7   60 o   39.945   11.317   14.369   9.3597   11.109   12.925   17.964   13.571   37.227   15.491   42.664   16.502 -5.436638 22.63421 
1 1 1  -46    7   61 o   52.450   11.641   28.714   9.9240   38.513   13.786   18.174   14.298   62.564   16.150   42.335   16.770 20.22854 23.28214 
1 1 1  -46    7   62 o   44.154   11.678   20.446   9.6234   24.877   13.365   15.676   13.868   48.244   16.737   40.065   16.292 8.178928 23.35692 
1 1 1  -46    8    1 o   67.767   10.217   34.539   9.3826   34.539   9.3826   0.0000   0.0000   67.767   10.217  ?   ?       ?      ? 
1 1 1  -46    8    2 o  123.965   7.5690  110.281   12.715  110.281   12.715   0.0000   0.0000  123.965   7.5690  ?   ?       ?      ? 
1 1 1  -46    8    3 o   33.683   12.690   7.8580   7.8878   7.8580   7.8878   0.0000   0.0000   33.683   12.690  ?   ?       ?      ? 
1 1 1  -46    8    4 o   55.152   12.068   24.237   8.7686   24.237   8.7686   0.0000   0.0000   55.152   12.068  ?   ?       ?      ? 
1 1 1  -46    8    5 o  118.391   7.6419  100.384   12.260  100.384   12.260   0.0000   0.0000  118.391   7.6419  ?   ?       ?      ? 
1 1 1  -46    8    6 o   29.004   12.007   3.4769   7.7081   3.4769   7.7081   0.0000   0.0000   29.004   12.007  ?   ?       ?      ? 
1 1 1  -46    8    7 o   60.952   11.093   28.680   8.8250   28.680   8.8250   0.0000   0.0000   60.952   11.093  ?   ?       ?      ? 
1 1 1  -46    8    8 o   36.123   12.634   9.7933   7.6238   9.7933   7.6238   0.0000   0.0000   36.123   12.634  ?   ?       ?      ? 
1 1 1  -46    8    9 o   24.996   11.097  -0.9242   7.5077  -0.9242   7.5077   0.0000   0.0000   24.996   11.097  ?   ?       ?      ? 
1 1 1  -46    8   10 o   60.829   10.881   28.344   8.6400   28.344   8.6400   0.0000   0.0000   60.829   10.881  ?   ?       ?      ? 
1 1 1  -46    8   11 o   28.551   11.773   3.3141   7.3681   3.3141   7.3681   0.0000   0.0000   28.551   11.773  ?   ?       ?      ? 
1 1 1  -46    8   12 o   88.917   8.3814   56.930   10.099   56.930   10.099   0.0000   0.0000   88.917   8.3814  ?   ?       ?      ? 
1 1 1  -46    8   13 o   67.159   9.8929   33.208   9.0035   33.208   9.0035   0.0000   0.0000   67.159   9.8929  ?   ?       ?      ? 
1 1 1  -46    8   14 o   41.186   12.934   13.432   8.0412   13.432   8.0412   0.0000   0.0000   41.186   12.934  ?   ?       ?      ? 
1 1 1  -46    8   15 o   33.162   12.707   7.0040   7.9932   7.0040   7.9932   0.0000   0.0000   33.162   12.707  ?   ?       ?      ? 
1 1 1  -46    8   16 o  128.296   7.6270  117.151   13.260  117.151   13.260   0.0000   0.0000  128.296   7.6270  ?   ?       ?      ? 
1 1 1  -46    8   17 o   54.766   12.451   23.734   9.0312   23.734   9.0312   0.0000   0.0000   54.766   12.451  ?   ?       ?      ? 
1 1 1  -46    8   18 o   33.920   12.979   7.4134   8.3323   7.4134   8.3323   0.0000   0.0000   33.920   12.979  ?   ?       ?      ? 
1 1 1  -46    8   19 f   43.107   13.460   14.861   8.7226   14.861   8.7226   0.0000   0.0000   43.107   13.460  ?   ?       ?      ? 
1 1 1  -46    8   20 o  100.357   8.5157   72.465   11.581   72.465   11.581   0.0000   0.0000  100.357   8.5157  ?   ?       ?      ? 
1 1 1  -46    8   21 o   92.477   8.9467   61.897   11.212   61.897   11.212   0.0000   0.0000   92.477   8.9467  ?   ?       ?      ? 
1 1 1  -46    8   22 o  113.236   8.4919   92.211   13.031   92.211   13.031   0.0000   0.0000  113.236   8.4919  ?   ?       ?      ? 
1 1 1  -46    8   24 o  111.114   8.3554   88.624   12.581   88.624   12.581   0.0000   0.0000  111.114   8.3554  ?   ?       ?      ? 
1 1 1  -46    8   25 o   86.547   9.2861   54.480   10.891   54.480   10.891   0.0000   0.0000   86.547   9.2861  ?   ?       ?      ? 
1 1 1  -46    8   26 o   87.622   9.2719   55.838   11.010   55.838   11.010   0.0000   0.0000   87.622   9.2719  ?   ?       ?      ? 
1 1 1  -46    8   27 o   30.708   13.487   0.6917   10.808   0.6917   10.808   0.0000   0.0000   30.708   13.487  ?   ?       ?      ? 
1 1 1  -46    8   28 o   51.324   16.248   22.601   12.666   22.601   12.666   0.0000   0.0000   51.324   16.248  ?   ?       ?      ? 
1 1 1  -46    8   29 o   29.687   13.280  -1.1593   10.966  -1.1593   10.966   0.0000   0.0000   29.687   13.280  ?   ?       ?      ? 
1 1 1  -46    8   30 o  104.729   6.2740   76.899   8.6127   70.081   10.709   89.382   14.491   99.003   7.9825  110.454   9.6816 -11.45100 12.54802 
1 1 1  -46    8   31 o   35.000   9.2871   8.4037   5.9784   9.9871   7.5428   5.7284   9.8047   36.515   12.579   33.485   13.667 3.030148 18.57429 
1 1 1  -46    8   32 o   33.202   9.1860   6.5671   5.8692   5.9718   7.4694   7.5280   9.4890   31.535   12.230   34.870   13.710 -3.335402 18.37201 
1 1 1  -46    8   33 o   80.381   7.2318   47.222   7.5937   45.544   9.4999   50.192   12.638   79.288   8.8415   81.474   11.446 -2.185188 14.46356 
1 1 1  -46    8   34 o   88.423   6.9163   56.164   7.9752   52.705   9.8956   62.576   13.472   85.453   8.5453   91.393   10.878 -5.939560 13.83268 
1 1 1  -46    8   35 o   31.610   8.4599   3.6959   6.1976   12.608   7.7414 -12.2126   10.343   39.998   12.706   23.222   11.173 16.77628 16.91979 
1 1 1  -46    8   36 o   62.527   10.620   32.540   8.8686   37.286   13.277   28.717   11.917   66.709   15.046   58.344   14.992 8.364845 21.23980 
1 1 1  -46    8   37 o   27.199   8.6407  -5.1241   7.2642 -16.8505   10.851   4.3994   9.7787   22.231   10.867   32.167   13.438 -9.936485 17.28146 
1 1 1  -46    8   38 o   34.488   9.3593   6.0792   6.1223   1.7434   7.6431   13.842   10.227   27.377   11.679   41.599   14.629 -14.22225 18.71863 
1 1 1  -46    8   39 o   79.148   7.4438   44.518   7.7787   35.387   9.8042   60.029   12.779   68.755   10.523   89.542   10.532 -20.78655 14.88759 
1 1 1  -46    8   40 o   45.357   10.834   17.333   8.0403   13.710   11.669   20.608   11.094   41.635   15.484   49.078   15.156 -7.443653 21.66727 
1 1 1  -46    8   41 o  103.769   8.2027   83.346   11.267   65.451   16.000  100.947   15.869   91.094   12.962  116.444   10.056 -25.34975 16.40533 
1 1 1  -46    8   42 o   51.431   16.143   23.439   12.528   23.439   12.528   0.0000   0.0000   51.431   16.143  ?   ?       ?      ? 
1 1 1  -46    8   43 o   41.135   15.767   13.259   12.309   13.259   12.309   0.0000   0.0000   41.135   15.767  ?   ?       ?      ? 
1 1 1  -46    8   44 o  130.992   7.5805  130.270   13.406  126.724   19.604  133.384   18.372  128.614   11.248  133.370   10.165 -4.756256 15.16102 
1 1 1  -46    8   45 o   67.445   10.480   39.047   9.6084   28.612   13.613   49.407   13.564   55.924   16.692   78.966   12.676 -23.04138 20.95917 
1 1 1  -46    8   46 o   47.332   11.097   19.607   8.5226   14.197   11.960   25.190   12.148   41.585   15.634   53.078   15.751 -11.49326 22.19308 
1 1 1  -46    8   47 o   76.543   10.126   49.295   10.113   50.555   14.547   48.116   14.069   77.434   14.393   75.652   14.246 1.781960 20.25133 
1 1 1  -46    8   48 o   31.383   9.7642   1.7317   8.1087  -1.3415   11.433   4.8416   11.502   29.377   13.314   33.389   14.287 -4.012100 19.52849 
1 1 1  -46    8   49 o   41.793   11.142   14.755   8.6256   12.906   12.041   16.703   12.363   40.023   15.526   43.562   15.985 -3.538307 22.28420 
1 1 1  -46    8   50 o   45.431   11.397   18.708   8.8630   15.712   12.430   21.807   12.641   42.457   15.943   48.404   16.290 -5.947060 22.79370 
1 1 1  -46    8   51 o   66.542   15.933   40.322   14.177   0.0000   0.0000   40.322   14.177  ?   ?    66.542   15.933      ?      ? 
1 1 1  -46    8   52 o   33.485   10.007   2.7522   8.5119  -8.1448   11.877   14.260   12.205   26.222   12.437   40.747   15.681 -14.52433 20.01390 
1 1 1  -46    8   53 o   42.690   11.359   16.535   9.0595   19.874   12.600   12.961   13.036   45.784   16.223   39.596   15.903 6.188179 22.71754 
1 1 1  -46    8   54 o   36.902   10.769   9.7559   8.7460   6.8749   11.916   13.120   12.877   34.335   14.613   39.469   15.823 -5.134312 21.53808 
1 1 1  -46    8   55 o   49.339   11.401   23.835   9.2883   31.650   12.923   15.483   13.359   57.483   16.001   41.195   16.245 16.28823 22.80180 
1 1 1  -46    8   56 o   38.943   15.499   13.183   12.265   13.183   12.265   0.0000   0.0000   38.943   15.499  ?   ?       ?      ? 
1 1 1  -46    8   57 o  136.049   11.248  149.311   20.738  149.311   20.738   0.0000   0.0000  136.049   11.248  ?   ?       ?      ? 
1 1 1  -46    8   58 o   36.419   10.822   10.391   9.1104   12.430   12.320   7.9311   13.534   37.808   15.363   35.031   15.245 2.776894 21.64332 
1 1 1  -46    8   59 o   40.432   10.744   13.234   9.3843   27.641   13.051  -2.1899   13.503   51.404   16.516   29.460   13.747 21.94406 21.48847 
1 1 1  -46    8   60 o   43.635   10.543   13.928   9.3652  -4.8979   12.566   37.452   14.047   27.296   12.901   59.974   16.678 -32.67734 21.08507 
1 1 1  -46    9    1 o   54.784   11.883   24.361   8.5684   24.361   8.5684   0.0000   0.0000   54.784   11.883  ?   ?       ?      ? 
1 1 1  -46    9    2 o   44.437   12.851   16.527   8.1775   16.527   8.1775   0.0000   0.0000   44.437   12.851  ?   ?       ?      ? 
1 1 1  -46    9    3 o  105.050   7.9508   80.174   11.318   80.174   11.318   0.0000   0.0000  105.050   7.9508  ?   ?       ?      ? 
1 1 1  -46    9    4 o   65.878   10.421   32.983   9.3031   32.983   9.3031   0.0000   0.0000   65.878   10.421  ?   ?       ?      ? 
1 1 1  -46    9    5 o   89.426   8.5875   58.579   10.407   58.579   10.407   0.0000   0.0000   89.426   8.5875  ?   ?       ?      ? 
1 1 1  -46    9    6 o   59.691   11.460   28.142   8.9330   28.142   8.9330   0.0000   0.0000   59.691   11.460  ?   ?       ?      ? 
1 1 1  -46    9    7 o   79.307   9.1747   46.431   9.8602   46.431   9.8602   0.0000   0.0000   79.307   9.1747  ?   ?       ?      ? 
1 1 1  -46    9    8 o   50.685   12.676   21.007   8.6843   21.007   8.6843   0.0000   0.0000   50.685   12.676  ?   ?       ?      ? 
1 1 1  -46    9    9 o   49.752   12.200   19.983   8.1627   19.983   8.1627   0.0000   0.0000   49.752   12.200  ?   ?       ?      ? 
1 1 1  -46    9   10 o   90.182   8.5615   59.223   10.463   59.223   10.463   0.0000   0.0000   90.182   8.5615  ?   ?       ?      ? 
1 1 1  -46    9   11 o  107.214   7.9914   82.896   11.611   82.896   11.611   0.0000   0.0000  107.214   7.9914  ?   ?       ?      ? 
1 1 1  -46    9   12 o   36.036   14.605   8.0006   11.101   8.0006   11.101   0.0000   0.0000   36.036   14.605  ?   ?       ?      ? 
1 1 1  -46    9   13 o   47.065   15.985   19.207   12.173   19.207   12.173   0.0000   0.0000   47.065   15.985  ?   ?       ?      ? 
1 1 1  -46    9   14 o  109.073   11.735   91.464   17.345   91.464   17.345   0.0000   0.0000  109.073   11.735  ?   ?       ?      ? 
1 1 1  -46    9   15 o   38.292   15.159   10.108   11.675   10.108   11.675   0.0000   0.0000   38.292   15.159  ?   ?       ?      ? 
1 1 1  -46    9   16 o   73.193   14.787   44.746   14.162   44.746   14.162   0.0000   0.0000   73.193   14.787  ?   ?       ?      ? 
1 1 1  -46    9   17 o   68.065   15.408   39.459   13.881   39.459   13.881   0.0000   0.0000   68.065   15.408  ?   ?       ?      ? 
1 1 1  -46    9   18 o   90.006   12.893   63.586   15.726   63.586   15.726   0.0000   0.0000   90.006   12.893  ?   ?       ?      ? 
1 1 1  -46    9   20 o   67.055   15.647   38.501   13.959   38.501   13.959   0.0000   0.0000   67.055   15.647  ?   ?       ?      ? 
1 1 1  -46    9   21 o   58.392   16.033   29.771   13.074   29.771   13.074   0.0000   0.0000   58.392   16.033  ?   ?       ?      ? 
1 1 1  -46    9   22 o  142.357   10.733  152.226   20.705  152.226   20.705   0.0000   0.0000  142.357   10.733  ?   ?       ?      ? 
1 1 1  -46    9   23 o   84.763   13.231   56.714   15.198   56.714   15.198   0.0000   0.0000   84.763   13.231  ?   ?       ?      ? 
1 1 1  -46    9   24 o  133.757   10.938  134.898   19.826  134.898   19.826   0.0000   0.0000  133.757   10.938  ?   ?       ?      ? 
1 1 1  -46    9   25 o   53.492   16.112   25.080   12.640   25.080   12.640   0.0000   0.0000   53.492   16.112  ?   ?       ?      ? 
1 1 1  -46    9   26 o   51.377   16.360   23.229   12.827   23.229   12.827   0.0000   0.0000   51.377   16.360  ?   ?       ?      ? 
1 1 1  -46    9   27 o   36.568   14.970   7.8327   11.808   7.8327   11.808   0.0000   0.0000   36.568   14.970  ?   ?       ?      ? 
1 1 1  -46    9   28 o   93.104   12.477   67.449   15.742   67.449   15.742   0.0000   0.0000   93.104   12.477  ?   ?       ?      ? 
1 1 1  -46    9   29 o   42.894   15.877   14.881   12.240   14.881   12.240   0.0000   0.0000   42.894   15.877  ?   ?       ?      ? 
1 1 1  -46    9   30 o   41.470   15.629   13.472   11.965   13.472   11.965   0.0000   0.0000   41.470   15.629  ?   ?       ?      ? 
1 1 1  -46    9   31 o   34.290   14.527   5.0868   11.686   5.0868   11.686   0.0000   0.0000   34.290   14.527  ?   ?       ?      ? 
1 1 1  -46    9   32 f  124.057   11.231  117.145   18.882  117.145   18.882   0.0000   0.0000  124.057   11.231  ?   ?       ?      ? 
1 1 1  -46    9   36 o   87.905   9.3744   62.632   10.314   41.140   14.318   85.812   14.870   68.867   15.692  106.943   10.260 -38.07648 18.74887 
1 1 1  -46    9   37 o   37.377   14.847   9.6329   11.235   0.0000   0.0000   9.6329   11.235  ?   ?    37.377   14.847      ?      ? 
1 1 1  -46    9   38 o   69.373   14.417   40.476   13.111   0.0000   0.0000   40.476   13.111  ?   ?    69.373   14.417      ?      ? 
1 1 1  -46    9   39 o  100.901   7.9727   78.530   10.660   60.711   14.847   97.491   15.316   87.655   12.499  114.147   9.9012 -26.49249 15.94541 
1 1 1  -46    9   40 o   88.881   8.2321   61.405   9.9063   59.474   14.111   63.281   13.910   87.207   11.941   90.555   11.335 -3.347717 16.46418 
1 1 1  -46    9   41 o   83.645   8.9169   55.572   10.074   61.503   14.554   50.116   13.959   88.364   12.154   78.926   13.051 9.438599 17.83371 
1 1 1  -46    9   42 o   69.974   10.349   41.930   9.4926   43.064   13.209   40.718   13.651   71.487   14.136   68.461   15.118 3.026245 20.69750 
1 1 1  -46    9   43 o  108.646   11.326   91.711   16.676   91.711   16.676   0.0000   0.0000  108.646   11.326  ?   ?       ?      ? 
1 1 1  -46    9   44 o   49.596   10.732   21.799   8.7989   33.205   12.299   9.8422   12.593   61.532   14.907   37.659   15.443 23.87314 21.46422 
1 1 1  -46    9   45 o   70.870   10.324   43.701   9.7465   53.268   13.680   33.838   13.890   81.516   12.384   60.224   16.522 21.29215 20.64759 
1 1 1  -46    9   46 o   53.781   10.576   24.378   8.9568   10.176   11.887   43.035   13.624   37.360   15.122   70.201   14.788 -32.84161 21.15115 
1 1 1  -46    9   47 o   91.935   9.0182   68.468   11.126   57.397   15.203   81.234   16.326   83.025   13.513  100.844   11.946 -17.81879 18.03631 
1 1 1  -46    9   48 o   54.553   11.067   28.078   9.2447   38.437   12.934   17.260   13.218   65.779   14.861   43.327   16.403 22.45146 22.13365 
1 1 1  -46    9   49 f   94.821   8.9705   73.844   11.520   72.410   15.974   75.397   16.630   94.065   12.531   95.577   12.839 -1.512009 17.94106 
1 1 1  -46    9   50 o   68.353   11.347   43.576   10.360   38.178   14.308   49.527   15.022   63.022   16.543   73.684   15.534 -10.66202 22.69323 
1 1 1  -46    9   51 o  127.596   11.407  130.467   19.723   0.0000   0.0000  130.467   19.723  ?   ?   127.596   11.407      ?      ? 
1 1 1  -46    9   52 o   92.509   13.143   72.502   16.477   0.0000   0.0000   72.502   16.477  ?   ?    92.509   13.143      ?      ? 
1 1 1  -46    9   53 o   35.082   10.173   4.1340   8.7161  -9.2698   11.782   20.340   12.955   25.175   12.063   44.989   16.385 -19.81397 20.34677 
1 1 1  -46    9   54 o   51.603   11.999   27.787   9.7921   23.182   13.438   33.001   14.298   47.112   16.747   56.095   17.187 -8.983185 23.99715 
1 1 1  -46    9   55 o   42.174   11.135   16.351   9.1856   6.6966   12.661   27.080   13.347   33.676   14.699   50.673   16.731 -16.99637 22.27055 
1 1 1  -46    9   56 o   31.410   9.9921   3.1513   8.8787   1.1922   12.014   5.5088   13.179   29.815   13.565   33.005   14.675 -3.189667 19.98421 
1 1 1  -46   10    1 o   29.283   13.087   1.0345   10.622   1.0345   10.622   0.0000   0.0000   29.283   13.087  ?   ?       ?      ? 
1 1 1  -46   10    2 o   21.662   10.609 -15.2603   10.490 -15.2603   10.490   0.0000   0.0000   21.662   10.609  ?   ?       ?      ? 
1 1 1  -46   10    3 o   49.900   15.824   23.577   12.011   23.577   12.011   0.0000   0.0000   49.900   15.824  ?   ?       ?      ? 
1 1 1  -46   10    4 o   70.724   14.913   44.331   13.842   44.331   13.842   0.0000   0.0000   70.724   14.913  ?   ?       ?      ? 
1 1 1  -46   10    5 o   27.300   12.582  -3.1873   10.792  -3.1873   10.792   0.0000   0.0000   27.300   12.582  ?   ?       ?      ? 
1 1 1  -46   10    6 o   79.045   14.186   53.475   14.637   53.475   14.637   0.0000   0.0000   79.045   14.186  ?   ?       ?      ? 
1 1 1  -46   10    7 o   91.400   12.556   67.524   15.552   67.524   15.552   0.0000   0.0000   91.400   12.556  ?   ?       ?      ? 
1 1 1  -46   10    8 o   68.035   14.922   40.548   13.380   40.548   13.380   0.0000   0.0000   68.035   14.922  ?   ?       ?      ? 
1 1 1  -46   10    9 o   90.599   12.556   66.012   15.415   66.012   15.415   0.0000   0.0000   90.599   12.556  ?   ?       ?      ? 
1 1 1  -46   10   10 o   82.424   13.480   55.812   15.056   55.812   15.056   0.0000   0.0000   82.424   13.480  ?   ?       ?      ? 
1 1 1  -46   10   11 o   50.776   16.484   24.010   12.976   24.010   12.976   0.0000   0.0000   50.776   16.484  ?   ?       ?      ? 
1 1 1  -46   10   12 o  112.916   11.664   99.799   17.848   99.799   17.848   0.0000   0.0000  112.916   11.664  ?   ?       ?      ? 
1 1 1  -46   10   13 o   65.100   15.313   37.225   13.283   37.225   13.283   0.0000   0.0000   65.100   15.313  ?   ?       ?      ? 
1 1 1  -46   10   14 o   97.233   12.685   75.580   16.714   75.580   16.714   0.0000   0.0000   97.233   12.685  ?   ?       ?      ? 
1 1 1  -46   10   16 o   37.297   14.963   9.6841   11.524   9.6841   11.524   0.0000   0.0000   37.297   14.963  ?   ?       ?      ? 
1 1 1  -46   10   17 o   33.641   14.239   5.3322   11.209   5.3322   11.209   0.0000   0.0000   33.641   14.239  ?   ?       ?      ? 
1 1 1  -46   10   18 o   34.037   14.317   5.8190   11.219   5.8190   11.219   0.0000   0.0000   34.037   14.317  ?   ?       ?      ? 
1 1 1  -46   10   19 o   82.450   13.176   54.715   14.721   54.715   14.721   0.0000   0.0000   82.450   13.176  ?   ?       ?      ? 
1 1 1  -46   10   20 o   28.616   12.918  -1.3648   10.644  -1.3648   10.644   0.0000   0.0000   28.616   12.918  ?   ?       ?      ? 
1 1 1  -46   10   21 o   31.803   13.759   3.1061   10.894   3.1061   10.894   0.0000   0.0000   31.803   13.759  ?   ?       ?      ? 
1 1 1  -46   10   43 o   30.518   13.485   2.2079   10.958   2.2079   10.958   0.0000   0.0000   30.518   13.485  ?   ?       ?      ? 
1 1 1  -46   10   44 o   33.284   14.245   5.8383   11.437   5.8383   11.437   0.0000   0.0000   33.284   14.245  ?   ?       ?      ? 
1 1 1  -46   10   45 o   54.383   11.439   28.527   9.1109   24.538   12.573   32.938   13.221   50.134   16.221   58.632   16.133 -8.497326 22.87825 
1 1 1  -46   10   46 o   28.804   9.2509  -1.0950   7.8379  -4.7911   10.478   3.6001   11.810   25.784   12.058   31.824   14.033 -6.039381 18.50180 
1 1 1  -46   10   47 o   25.666   8.5307  -7.3029   7.6436 -13.9570   10.342   0.7067   11.347   21.760   10.631   29.571   13.345 -7.810438 17.06140 
1 1 1  -46   10   48 o   40.501   11.121   15.191   8.7212   13.952   11.896   16.631   12.823   39.347   15.386   41.654   16.061 -2.307217 22.24120 
1 1 1  -46   10   49 o   43.618   11.414   18.990   8.9337   18.199   12.297   19.873   13.001   42.961   15.911   44.276   16.368 -1.314976 22.82723 
1 1 1  -46   10   50 o   54.371   11.081   28.716   9.6124   14.239   13.045   45.916   14.219   39.208   15.852   69.534   15.487 -30.32543 22.16171 
1 1 1  -46   10   51 o   46.619   16.962   23.566   13.878   0.0000   0.0000   23.566   13.878  ?   ?    46.619   16.962      ?      ? 
1 1 1  -46   10   52 o   53.996   17.568   32.584   14.736   0.0000   0.0000   32.584   14.736  ?   ?    53.996   17.568      ?      ? 
1 1 1  -45    0    1 o   51.489   13.155   21.882   7.9347   0.0000   0.0000   21.882   7.9347   51.489   13.155   51.489   13.155 -0.000000 0.000000 
1 1 1  -45    0    2 o   94.668   7.7529   63.073   9.7926   0.0000   0.0000   63.073   9.7926   94.668   7.7529   94.668   7.7529 -0.000000 0.000000 
1 1 1  -45    0    3 o   84.953   8.2309   51.266   9.2714   0.0000   0.0000   51.266   9.2714   84.953   8.2309   84.953   8.2309 -0.000000 0.000000 
1 1 1  -45    0    4 o  114.323   7.3033   91.079   11.209   0.0000   0.0000   91.079   11.209  114.323   7.3033  114.323   7.3033 -0.000000 0.000000 
1 1 1  -45    0    5 o  106.245   7.5446   78.939   10.737   0.0000   0.0000   78.939   10.737  106.245   7.5446  106.245   7.5446 -0.000000 0.000000 
1 1 1  -45    0    6 o  119.320   7.2649   99.047   11.647   0.0000   0.0000   99.047   11.647  119.320   7.2649  119.320   7.2649 -0.000000 0.000000 
1 1 1  -45    0    7 o   93.765   7.9732   61.944   9.9626   0.0000   0.0000   61.944   9.9626   93.765   7.9732   93.765   7.9732 -0.000000 0.000000 
1 1 1  -45    0    8 o   74.670   9.3779   40.425   9.0833   0.0000   0.0000   40.425   9.0833   74.670   9.3779   74.670   9.3779 -0.000000 0.000000 
1 1 1  -45    0    9 o  115.659   7.3593   93.129   11.427   0.0000   0.0000   93.129   11.427  115.659   7.3593  115.659   7.3593 -0.000000 0.000000 
1 1 1  -45    0   10 o  175.615   6.7719  212.618   16.061   0.0000   0.0000  212.618   16.061  175.615   6.7719  175.615   6.7719 -0.000000 0.000000 
1 1 1  -45    0   11 o   78.718   9.1350   44.577   9.4025   0.0000   0.0000   44.577   9.4025   78.718   9.1350   78.718   9.1350 -0.000000 0.000000 
1 1 1  -45    0   12 o   77.442   9.2897   43.265   9.3777   0.0000   0.0000   43.265   9.3777   77.442   9.2897   77.442   9.2897 -0.000000 0.000000 
1 1 1  -45    0   13 o  149.197   7.0222  153.859   14.126   0.0000   0.0000  153.859   14.126  149.197   7.0222  149.197   7.0222 -0.000000 0.000000 
1 1 1  -45    0   14 o  153.380   7.0130  162.524   14.507   0.0000   0.0000  162.524   14.507  153.380   7.0130  153.380   7.0130 -0.000000 0.000000 
1 1 1  -45    0   15 o  115.960   7.7734   93.796   12.089   0.0000   0.0000   93.796   12.089  115.960   7.7734  115.960   7.7734 -0.000000 0.000000 
1 1 1  -45    0   16 o   87.259   9.0879   54.341   10.479   0.0000   0.0000   54.341   10.479   87.259   9.0879   87.259   9.0879 -0.000000 0.000000 
1 1 1  -45    0   17 o   78.759   15.029   48.373   14.346   0.0000   0.0000   48.373   14.346   78.759   15.029   78.759   15.029 -0.000000 0.000000 
1 1 1  -45    0   18 o   20.245   13.709  -4.5167   11.147   0.0000   0.0000  -4.5167   11.147   20.245   13.709   20.245   13.709 -0.000000 0.000000 
1 1 1  -45    0   19 o   88.525   12.911   58.445   14.527   0.0000   0.0000   58.445   14.527   88.525   12.911   88.525   12.911 -0.000000 0.000000 
1 1 1  -45    0   20 o  106.541   8.3051   79.664   11.823   0.0000   0.0000   79.664   11.823  106.541   8.3051  106.541   8.3051 -0.000000 0.000000 
1 1 1  -45    0   21 o  153.040   7.3039  161.983   15.069   0.0000   0.0000  161.983   15.069  153.040   7.3039  153.040   7.3039 -0.000000 0.000000 
1 1 1  -45    0   22 f  112.882   8.1754   89.171   12.355   0.0000   0.0000   89.171   12.355  112.882   8.1754  112.882   8.1754 -0.000000 0.000000 
1 1 1  -45    0   23 f  111.751   8.1625   87.410   12.210   0.0000   0.0000   87.410   12.210  111.751   8.1625  111.751   8.1625 -0.000000 0.000000 
1 1 1  -45    0   24 o  169.360   7.2697  198.100   16.615   0.0000   0.0000  198.100   16.615  169.360   7.2697  169.360   7.2697 -0.000000 0.000000 
1 1 1  -45    0   25 o  106.009   8.4668   78.990   11.985   0.0000   0.0000   78.990   11.985  106.009   8.4668  106.009   8.4668 -0.000000 0.000000 
1 1 1  -45    0   26 o   95.429   8.8415   64.507   11.208   0.0000   0.0000   64.507   11.208   95.429   8.8415   95.429   8.8415 -0.000000 0.000000 
1 1 1  -45    0   27 o   22.075   13.816   2.4823   8.5176   2.4823   8.5176   0.0000   0.0000   22.075   13.816   22.075   13.816 -0.000000 0.000000 
1 1 1  -45    0   28 f   98.791   10.425   70.137   13.601   70.137   13.601   0.0000   0.0000   98.791   10.425   98.791   10.425 -0.000000 0.000000 
1 1 1  -45    0   29 o   88.080   10.788   56.407   12.360   56.407   12.360   0.0000   0.0000   88.080   10.788   88.080   10.788 -0.000000 0.000000 
1 1 1  -45    0   30 o  117.237   7.3184   97.438   11.359   93.624   15.193  102.272   17.104  114.816   9.9361  119.658   10.748 -0.000000 0.000000 
1 1 1  -45    0   31 o  149.645   6.9366  157.798   13.885  160.550   19.037  154.670   20.297  151.303   9.3670  147.988   10.234 -0.000000 0.000000 
1 1 1  -45    0   32 o  141.200   7.0646  141.482   13.277  152.230   18.359  129.698   19.223  147.318   9.2805  135.082   10.654 -0.000000 0.000000 
1 1 1  -45    0   33 o   93.738   8.2560   63.230   9.9037   53.338   13.110   76.378   15.114   84.742   12.139  102.734   11.194 -0.000000 0.000000 
1 1 1  -45    0   34 o   78.518   10.759   50.309   9.5687   62.882   13.096   35.907   14.015   93.143   10.747   63.893   18.642 -0.000000 0.000000 
1 1 1  -45    0   35 o  180.033   6.8888  227.742   16.663  240.439   23.424  214.737   23.708  185.387   9.3789  174.679   10.092 -0.000000 0.000000 
1 1 1  -45    0   36 o  118.176   7.7790  101.578   11.810  124.960   16.697   78.166   16.707  133.197   9.3563  103.155   12.430 -0.000000 0.000000 
1 1 1  -45    0   37 o   59.653   11.835   32.278   8.6098   41.517   11.839   21.906   12.543   73.582   13.115   45.724   19.705 -0.000000 0.000000 
1 1 1  -45    0   38 o  101.273   8.0173   74.755   10.605   79.461   14.815   69.809   15.187  105.045   10.659   97.501   11.979 -0.000000 0.000000 
1 1 1  -45    0   39 o  103.481   8.0230   78.065   10.833   84.740   15.171   71.119   15.475  108.621   10.534   98.342   12.104 -0.000000 0.000000 
1 1 1  -45    0   40 o   86.912   9.0929   56.751   9.9388   51.294   13.953   62.370   14.160   81.882   13.737   91.942   11.917 -0.000000 0.000000 
1 1 1  -45    0   41 o  115.283   7.6329   95.503   11.674  100.276   16.665   90.904   16.359  118.300   10.591  112.265   10.995 -0.000000 0.000000 
1 1 1  -45    0   42 o   43.801   19.165   20.280   11.852   0.0000   0.0000   20.280   11.852   43.801   19.165   43.801   19.165 -0.000000 0.000000 
1 1 1  -45    0   43 o   94.463   11.837   65.749   14.508   0.0000   0.0000   65.749   14.508   94.463   11.837   94.463   11.837 -0.000000 0.000000 
1 1 1  -45    0   44 o   62.938   11.816   34.708   8.8575   44.157   12.514   25.223   12.538   75.640   13.486   50.236   19.405 -0.000000 0.000000 
1 1 1  -45    0   45 o   57.053   12.745   29.672   8.7063   32.466   12.367   26.926   12.259   61.038   17.264   53.067   18.753 -0.000000 0.000000 
1 1 1  -45    0   46 o   26.756   11.414   6.0385   7.5494   5.3933   10.510   6.7261   10.851   26.052   15.861   27.461   16.418 -0.000000 0.000000 
1 1 1  -45    0   47 o   85.806   9.3839   56.003   10.098   53.130   14.372   58.804   14.190   83.052   13.953   88.560   12.551 -0.000000 0.000000 
1 1 1  -45    0   48 o   69.943   11.462   40.320   9.4506   41.244   13.415   39.409   13.317   71.021   15.971   68.865   16.446 -0.000000 0.000000 
1 1 1  -45    0   49 o  137.568   10.603  135.481   19.496  135.481   19.496   0.0000   0.0000  137.568   10.603  137.568   10.603 -0.000000 0.000000 
1 1 1  -45    0   50 o  130.134   10.958  121.985   19.010  121.985   19.010   0.0000   0.0000  130.134   10.958  130.134   10.958 -0.000000 0.000000 
1 1 1  -45    0   51 o  148.618   7.3775  157.877   14.670  151.493   20.924  164.050   20.575  145.383   10.756  151.852   10.101 -0.000000 0.000000 
1 1 1  -45    0   52 o   81.474   10.460   52.075   10.409   54.546   15.167   49.876   14.310   83.410   14.811   79.538   14.774 -0.000000 0.000000 
1 1 1  -45    0   53 o  120.926   8.0389  106.595   12.866  100.952   18.473  111.912   17.930  117.349   11.897  124.503   10.815 -0.000000 0.000000 
1 1 1  -45    0   54 o  130.858   7.6824  123.389   13.397  128.627   19.386  118.600   18.536  133.552   10.878  128.165   10.851 -0.000000 0.000000 
1 1 1  -45    0   55 o   96.089   9.7666   70.734   11.450   55.082   15.926   87.478   16.472   82.911   15.855  109.267   11.409 -0.000000 0.000000 
1 1 1  -45    0   56 o  106.348   8.9454   84.291   12.366   91.664   17.843   77.476   17.154  111.291   12.205  101.406   13.082 -0.000000 0.000000 
1 1 1  -45    0   58 o   73.397   12.458   45.851   10.746   45.667   15.084   46.040   15.312   73.343   17.490   73.450   17.745 -0.000000 0.000000 
1 1 1  -45    0   59 o   16.884   11.899 -10.8546   10.781   0.0000   0.0000 -10.8546   10.781   16.884   11.899   16.884   11.899 -0.000000 0.000000 
1 1 1  -45    0   60 o   80.017   15.159   51.385   14.719   0.0000   0.0000   51.385   14.719   80.017   15.159   80.017   15.159 -0.000000 0.000000 
1 1 1  -45    0   61 o  133.852   10.672  129.960   19.075   0.0000   0.0000  129.960   19.075  133.852   10.672  133.852   10.672 -0.000000 0.000000 
1 1 1  -45    0   62 o   32.742   18.059   12.411   11.651   0.0000   0.0000   12.411   11.651   32.742   18.059   32.742   18.059 -0.000000 0.000000 
1 1 1  -45    0   63 o   30.881   17.753   10.684   11.875   0.0000   0.0000   10.684   11.875   30.881   17.753   30.881   17.753 -0.000000 0.000000 
1 1 1  -45    0   64 o  127.220   11.068  118.905   18.749   0.0000   0.0000  118.905   18.749  127.220   11.068  127.220   11.068 -0.000000 0.000000 
1 1 1  -45    1    1 o  116.183   6.0277   94.250   9.1433   90.096   11.390  101.778   15.334  113.284   7.4193  119.082   9.5021 -5.798637 12.05549 
1 1 1  -45    1    2 o   75.821   7.8360   44.305   7.3110   49.625   9.2877   35.639   11.854   83.789   8.1797   67.852   13.368 15.93685 15.67190 
1 1 1  -45    1    3 o  174.796   5.7962  215.727   13.056  215.463   16.167  216.222   22.136  175.768   6.7874  173.824   9.3975 1.944153 11.59230 
1 1 1  -45    1    4 o  177.168   5.8575  222.338   13.400  223.677   16.665  219.888   22.542  179.066   6.8675  175.270   9.4909 3.795700 11.71492 
1 1 1  -45    1    5 o  145.804   4.8739  148.307   9.6267  144.506   13.652  152.067   13.576  143.879   7.0021  147.729   6.7817 -3.850525 9.747830 
1 1 1  -45    1    6 o  119.258   5.1445   99.731   8.2786   89.587   11.722  109.827   11.694  112.992   7.6554  125.525   6.8745 -12.53308 10.28900 
1 1 1  -45    1    7 o   41.190   8.2506   11.738   5.3932   21.008   7.9194   3.7195   7.3649   52.798   11.402   29.581   11.928 23.21658 16.50119 
1 1 1  -45    1    8 o   57.443   7.8243   24.648   5.9124   36.703   8.6371   14.019   8.1106   71.950   8.8583   42.936   12.900 29.01446 15.64853 
1 1 1  -45    1    9 o  104.770   6.6667   77.409   8.8230   80.535   15.683   75.962   10.672  105.380   10.982  104.160   7.5607 1.219711 13.33331 
1 1 1  -45    1   10 o  119.466   6.4979  102.527   9.7077   98.191   17.193  104.557   11.762  116.468   10.893  122.464   7.0876 -5.995514 12.99589 
1 1 1  -45    1   11 o  156.316   6.0827  171.883   11.922  174.197   21.359  170.835   14.368  155.872   10.112  156.760   6.7638 -0.8875580 12.16535 
1 1 1  -45    1   12 o  154.121   6.1474  165.562   11.902  173.839   21.440  161.876   14.310  155.719   10.160  152.523   6.9233 3.195145 12.29475 
1 1 1  -45    1   13 o  139.541   5.0967  135.328   9.6221  143.725   14.097  128.005   13.166  143.559   7.2464  135.522   7.1689 8.037628 10.19336 
1 1 1  -45    1   14 o  156.576   4.9516  170.355   10.498  178.727   15.177  162.674   14.538  160.268   6.9879  152.884   7.0172 7.383667 9.903111 
1 1 1  -45    1   15 o  174.577   4.9022  212.150   11.584  204.337   16.552  219.651   16.219  171.294   7.1306  177.860   6.7291 -6.566284 9.804420 
1 1 1  -45    1   16 o   50.909   8.6970   19.934   6.0581   14.161   8.6999   25.368   8.4409   43.338   13.428   58.480   11.056 -15.14117 17.39403 
1 1 1  -45    1   17 o   99.536   5.6721   69.486   7.6439   68.750   11.009   70.171   10.621   98.948   8.2104  100.125   7.8281 -1.176834 11.34416 
1 1 1  -45    1   18 f   56.216   12.339   23.910   9.1423   23.910   9.1423   0.0000   0.0000   56.216   12.339  ?   ?       ?      ? 
1 1 1  -45    1   19 o  110.639   5.5308   85.307   8.2471   98.443   12.045   73.716   11.315  118.773   7.4837  102.505   8.1458 16.26816 11.06162 
1 1 1  -45    1   20 o   95.515   6.0241   64.204   7.7968   63.347   11.022   65.063   11.030   94.853   8.5750   96.176   8.4634 -1.323280 12.04822 
1 1 1  -45    1   21 o  149.824   5.1719  156.024   10.480  143.076   14.465  170.332   15.205  143.217   7.4530  156.430   7.1726 -13.21272 10.34380 
1 1 1  -45    1   22 o  110.475   6.9613   89.143   9.8634   94.991   12.403   79.083   16.268  116.512   7.8555  104.438   11.495 12.07467 13.92261 
1 1 1  -45    1   23 o  112.084   8.2646   89.554   12.334  115.937   18.741   69.395   16.383  126.872   10.901   97.296   12.425 29.57518 16.52917 
1 1 1  -45    1   24 o  159.374   7.4243  178.583   15.875  213.618   24.500  153.227   20.843  172.602   10.475  146.145   10.524 26.45790 14.84866 
1 1 1  -45    1   25 o   98.856   6.8891   68.839   8.5773   67.603   10.349   71.549   15.328   98.320   7.7677   99.392   11.380 -1.071922 13.77824 
1 1 1  -45    1   26 o  103.135   6.6126   75.724   7.8042   76.021   8.9415   74.775   15.990  104.820   6.2948  101.451   11.631 3.369003 13.22525 
1 1 1  -45    1   27 o   55.346   9.0636   24.356   6.0235   25.869   6.8995   19.508   12.352   60.654   8.3941   50.038   16.066 10.61546 18.12715 
1 1 1  -45    1   28 o   95.016   6.9548   62.606   8.1686   60.134   9.6655   68.785   15.281   92.739   7.6909   97.293   11.590 -4.554276 13.90955 
1 1 1  -45    1   29 o   47.227   8.3820   16.856   5.3560   17.009   7.5448   16.701   7.6046   47.462   11.785   46.992   11.923 0.4697113 16.76395 
1 1 1  -45    1   30 o  176.147   4.7619  215.234   11.356  229.014   16.317  202.293   15.814  181.676   6.6276  170.619   6.8394 11.05737 9.523825 
1 1 1  -45    1   31 o  145.774   5.7464  146.858   10.892  141.027   13.502  157.723   18.430  142.359   6.9988  149.189   9.1159 -6.829941 11.49272 
1 1 1  -45    1   32 o  137.264   5.7792  130.012   10.353  123.800   12.875  141.376   17.415  133.299   7.1274  141.228   9.0993 -7.929611 11.55847 
1 1 1  -45    1   33 o  161.077   4.7882  180.189   10.442  191.506   14.980  169.492   14.563  166.061   6.6565  156.093   6.8847 9.968231 9.576424 
1 1 1  -45    1   34 o  145.900   4.8604  148.101   9.6088  145.333   13.533  150.914   13.645  144.505   6.9110  147.296   6.8360 -2.790497 9.720755 
1 1 1  -45    1   35 o  131.673   4.9344  120.768   8.8039  120.919   12.543  120.621   12.360  131.729   7.0263  131.616   6.9301 0.1126709 9.868897 
1 1 1  -45    1   36 o  112.812   5.2152   88.976   7.9720   87.981   11.309   89.958   11.240  112.154   7.4408  113.470   7.3095 -1.315445 10.43045 
1 1 1  -45    1   37 o   69.716   6.5604   34.626   6.1837   31.837   8.6946   37.482   8.7965   66.748   9.6123   72.683   8.9308 -5.934784 13.12082 
1 1 1  -45    1   38 o   32.604   8.5245   5.3256   5.3719   11.353   7.7735  -0.1840   7.4321   39.205   12.760   26.003   11.307 13.20155 17.04908 
1 1 1  -45    1   39 o  124.135   6.3519  110.817   10.040  113.642   12.377  105.384   17.168  127.534   7.1615  120.737   10.493 6.796448 12.70380 
1 1 1  -45    1   40 o  141.086   6.0642  141.497   10.998  142.718   13.621  139.211   18.643  142.968   7.0308  139.204   9.8826 3.764099 12.12841 
1 1 1  -45    1   41 o  170.589   4.8677  202.768   11.245  212.949   16.220  193.347   15.604  174.731   6.8500  166.448   6.9178 8.283096 9.735415 
1 1 1  -45    1   42 o  166.275   4.8480  192.965   10.921  190.905   15.556  194.967   15.337  165.338   6.9427  167.212   6.7685 -1.873428 9.696022 
1 1 1  -45    1   43 o   71.280   6.6188   36.663   6.3270   31.576   9.0816   41.460   8.8195   66.106   10.138   76.455   8.5125 -10.34877 13.23765 
1 1 1  -45    1   44 o  108.412   6.7420   86.588   9.1810   77.700   15.795   91.123   11.283  102.836   11.334  113.988   7.3042 -11.15200 13.48405 
1 1 1  -45    1   45 o  132.562   6.2070  122.236   10.475  134.025   18.581  116.744   12.682  136.108   10.074  129.017   7.2539 7.091019 12.41400 
1 1 1  -45    1   46 o  113.652   5.3846   90.846   8.2868   93.983   12.009   87.996   11.449  115.489   7.6736  111.815   7.5559 3.673653 10.76926 
1 1 1  -45    1   47 o  184.182   6.1791  241.800   14.311  242.146   25.394  241.639   17.324  182.527   10.266  185.838   6.8793 -3.310883 12.35820 
1 1 1  -45    1   48 o  201.305   6.1715  286.639   15.670  296.466   27.885  282.104   18.943  201.951   10.189  200.659   6.9665 1.291931 12.34309 
1 1 1  -45    1   49 o  127.797   5.2830  114.806   9.1384  122.284   13.276  108.072   12.598  131.767   7.4350  123.827   7.5075 7.939667 10.56606 
1 1 1  -45    1   50 o  130.282   5.3503  120.112   9.4110  109.585   13.387  130.398   13.233  124.356   7.9438  136.207   7.1693 -11.85067 10.70055 
1 1 1  -45    1   51 o  113.767   11.260   95.912   17.360   95.912   17.360   0.0000   0.0000  113.767   11.260  ?   ?       ?      ? 
1 1 1  -45    1   52 o   42.987   16.003   13.750   12.471   13.750   12.471   0.0000   0.0000   42.987   16.003  ?   ?       ?      ? 
1 1 1  -45    1   53 o   43.481   9.0839   14.719   6.0219   8.9560   8.6125   20.231   8.4231   36.111   13.328   50.852   12.347 -14.74070 18.16785 
1 1 1  -45    1   54 o   99.199   5.9126   70.010   7.9178   79.031   11.578   62.085   10.852  105.328   8.1117   93.071   8.6043 12.25664 11.82515 
1 1 1  -45    1   55 o  104.367   5.8254   77.747   8.2316   82.316   11.779   73.386   11.508  107.459   8.0889  101.276   8.3852 6.183098 11.65083 
1 1 1  -45    1   56 o   94.212   6.2303   63.933   7.9536   65.076   11.298   62.810   11.199   95.073   8.7692   93.351   8.8526 1.722321 12.46066 
1 1 1  -45    1   57 o  100.011   6.0810   71.867   8.2170   79.432   11.824   64.802   11.427  105.303   8.2861   94.718   8.9026 10.58521 12.16207 
1 1 1  -45    1   58 o  106.036   7.1834   83.897   9.7419   86.417   12.109   79.274   16.403  109.867   8.1331  102.205   11.843 7.661476 14.36686 
1 1 1  -45    1   59 o   70.614   9.3799   41.351   8.1336   45.479   10.050   33.513   13.848   78.916   9.3972   62.312   16.236 16.60470 18.75984 
1 1 1  -45    1   60 o   87.399   7.6208   54.901   8.6933   49.009   10.723   66.202   14.850   81.634   9.6927   93.163   11.763 -11.52853 15.24165 
1 1 1  -45    1   61 o   96.407   8.5692   71.695   11.176   67.300   15.783   76.115   15.827   93.052   12.516   99.762   11.707 -6.710243 17.13833 
1 1 1  -45    1   62 o   85.029   9.7209   58.241   10.888   51.194   15.130   65.810   15.680   78.353   14.792   91.705   12.617 -13.35204 19.44183 
1 1 1  -45    1   63 o   43.126   16.021   15.377   12.485   15.377   12.485   0.0000   0.0000   43.126   16.021  ?   ?       ?      ? 
1 1 1  -45    1   65 o   56.253   16.502   29.039   13.399   0.0000   0.0000   29.039   13.399  ?   ?    56.253   16.502      ?      ? 
1 1 1  -45    1   66 o   98.391   12.108   76.598   16.145   0.0000   0.0000   76.598   16.145  ?   ?    98.391   12.108      ?      ? 
1 1 1  -45    2    1 o  195.160   5.9235  264.483   14.421  285.028   26.455  255.797   17.201  198.806   9.8195  191.514   6.6278 7.292969 11.84698 
1 1 1  -45    2    2 o  103.633   5.3593   76.268   7.4347   64.624   10.693   87.167   10.345   95.544   8.2583  111.723   6.8327 -16.17857 10.71851 
1 1 1  -45    2    3 o  129.538   4.9409  117.366   8.6626  115.391   12.498  119.193   12.018  128.375   7.1842  130.701   6.7851 -2.325867 9.881820 
1 1 1  -45    2    4 f  143.694   4.8751  143.972   9.4859  148.430   13.747  139.918   13.106  145.776   6.9586  141.613   6.8296 4.163803 9.750224 
1 1 1  -45    2    5 o  200.488   4.8228  280.448   13.093  275.911   18.782  284.737   18.263  198.781   6.9724  202.194   6.6652 -3.412628 9.645642 
1 1 1  -45    2    6 o  186.003   4.8060  240.704   12.101  249.966   17.627  232.449   16.641  189.325   6.8705  182.681   6.7221 6.643265 9.611988 
1 1 1  -45    2    7 o  193.437   4.8302  260.598   12.653  264.946   18.290  256.607   17.523  194.910   6.9247  191.965   6.7361 2.944885 9.660496 
1 1 1  -45    2    8 o  182.096   4.8282  231.218   11.899  219.317   16.893  242.936   16.763  177.290   7.0314  186.901   6.6184 -9.610886 9.656306 
1 1 1  -45    2    9 o  186.196   5.9157  245.308   14.257  246.939   17.779  242.370   23.861  188.203   6.9710  184.189   9.5596 4.014618 11.83136 
1 1 1  -45    2   10 o  182.339   5.8970  232.583   13.895  228.182   17.181  240.903   23.623  180.919   7.0077  183.760   9.4862 -2.840744 11.79392 
1 1 1  -45    2   11 o  196.210   9.6642  275.016   25.696   0.0000   0.0000  275.016   25.696  ?   ?   196.210   9.6642      ?      ? 
1 1 1  -45    2   12 o   91.314   5.8882   58.541   7.2699   61.856   10.731   55.729   9.8835   93.640   8.4565   88.988   8.1959 4.651993 11.77648 
1 1 1  -45    2   13 o  116.532   5.2853   93.997   8.2920  110.369   12.372   80.645   11.173  125.756   7.2599  107.309   7.6832 18.44692 10.57061 
1 1 1  -45    2   14 o  196.793   4.8677  268.093   12.948  289.757   19.145  249.829   17.579  204.055   6.9235  189.531   6.8442 14.52318 9.735382 
1 1 1  -45    2   15 o  159.202   4.9647  176.460   10.693  176.631   15.576  176.307   14.706  159.151   7.2223  159.253   6.8142 -0.1019135 9.929474 
1 1 1  -45    2   16 o  153.260   6.2525  168.656   11.968  158.794   21.157  173.298   14.514  148.599   10.506  157.921   6.7821 -9.321991 12.50508 
1 1 1  -45    2   17 o  159.161   6.0694  171.041   12.101  199.004   22.422  159.548   14.375  166.910   9.9130  151.413   7.0058 15.49661 12.13876 
1 1 1  -45    2   18 o   94.022   7.0368   60.329   8.4207   71.620   15.187   55.317   10.119   99.400   11.274   88.644   8.4234 10.75578 14.07363 
1 1 1  -45    2   19 o  176.332   6.2167  218.405   13.719  222.629   24.696  216.520   16.499  176.184   10.344  176.479   6.8989 -0.2946167 12.43347 
1 1 1  -45    2   20 o  160.630   5.0304  179.553   10.944  182.554   15.778  176.770   15.194  161.875   7.1927  159.385   7.0346 2.490234 10.06087 
1 1 1  -45    2   21 o  140.377   5.1634  137.163   9.8140  144.439   14.206  130.519   13.574  143.943   7.2828  136.811   7.3215 7.132446 10.32678 
1 1 1  -45    2   22 o  133.659   7.4616  124.707   13.515  124.707   13.515   0.0000   0.0000  133.659   7.4616  ?   ?       ?      ? 
1 1 1  -45    2   23 o  127.712   5.4078  114.012   9.3103  129.607   13.385   99.396   12.958  136.375   7.2429  119.049   8.0323 17.32643 10.81565 
1 1 1  -45    2   24 f  142.620   5.7051  140.127   9.5408  137.582   10.986  147.938   19.243  141.236   5.7400  144.003   9.8612 -2.766541 11.41012 
1 1 1  -45    2   25 o  167.788   5.6693  197.962   11.147  198.552   12.901  196.221   22.146  169.734   5.6086  165.842   9.8543 3.891708 11.33858 
1 1 1  -45    2   26 o  170.605   6.1721  207.374   13.682  212.910   17.239  197.952   22.489  174.750   7.2796  166.460   9.9694 8.289948 12.34429 
1 1 1  -45    2   27 o   95.866   7.3552   65.806   9.2221   65.349   11.623   66.584   15.153   96.128   8.9221   95.604   11.696 0.5242691 14.71037 
1 1 1  -45    2   28 o  144.498   5.8435  150.656   9.9597  155.150   11.653  138.470   19.187  149.966   5.7339  139.030   10.184 10.93596 11.68707 
1 1 1  -45    2   29 o  155.948   5.5837  165.256   10.347  159.757   11.954  181.687   20.663  152.137   5.7981  159.758   9.5443 -7.621246 11.16742 
1 1 1  -45    2   30 o  153.770   6.2457  173.596   11.985  186.277   14.731  148.765   20.613  163.801   6.6365  143.738   10.583 20.06224 12.49140 
1 1 1  -45    2   31 o  196.880   4.7796  269.353   12.748  260.125   17.900  278.849   18.159  193.407   6.8298  200.353   6.6883 -6.945480 9.559291 
1 1 1  -45    2   32 o  113.998   5.1807   90.976   7.9605   80.109   11.217  102.003   11.299  106.924   7.7414  121.072   6.8868 -14.14738 10.36137 
1 1 1  -45    2   33 o  100.681   5.3674   70.774   7.3069   77.690   10.605   64.525   10.082  105.422   7.4235   95.941   7.7543 9.480621 10.73487 
1 1 1  -45    2   34 o  192.941   5.8416  261.690   14.485  260.522   17.868  263.932   24.742  193.491   6.8143  192.391   9.4901 1.099579 11.68319 
1 1 1  -45    2   35 o  174.757   6.8604  212.657   16.247  212.657   16.247   0.0000   0.0000  174.757   6.8604  ?   ?       ?      ? 
1 1 1  -45    2   36 o  185.647   5.9121  240.898   14.056  236.095   17.208  250.529   24.364  184.077   6.8982  187.217   9.6034 -3.139603 11.82418 
1 1 1  -45    2   37 o  173.661   5.9801  212.809   13.282  212.146   16.309  214.114   22.887  174.461   6.8982  172.860   9.7703 1.601013 11.96014 
1 1 1  -45    2   38 o  191.468   4.8437  255.219   12.560  265.354   18.131  245.868   17.416  195.112   6.8574  187.823   6.8426 7.289001 9.687368 
1 1 1  -45    2   39 o  179.556   4.8547  224.458   11.803  235.929   17.089  213.997   16.320  183.942   6.8559  175.170   6.8752 8.772202 9.709364 
1 1 1  -45    2   40 o  191.742   4.8572  256.384   12.616  260.560   18.132  252.465   17.566  193.210   6.9251  190.275   6.8127 2.935013 9.714386 
1 1 1  -45    2   41 o  139.767   5.0139  136.660   9.4894  134.867   13.626  138.348   13.223  138.781   7.2455  140.753   6.9324 -1.972305 10.02771 
1 1 1  -45    2   42 o  131.216   5.0860  120.531   9.0376  121.503   13.042  119.633   12.536  131.655   7.3099  130.777   7.0735 0.8777924 10.17194 
1 1 1  -45    2   43 o  108.096   5.4803   82.887   7.9527   71.415   11.370   93.873   11.127  100.385   8.3583  115.808   7.0903 -15.42223 10.96058 
1 1 1  -45    2   44 o  185.879   5.9964  239.513   14.075  261.807   25.342  229.569   16.925  190.539   9.8147  181.219   6.8919 9.320389 11.99281 
1 1 1  -45    2   45 o  148.853   7.0591  160.092   14.229  164.971   20.614  155.652   19.665  150.926   10.079  146.780   9.8863 4.145660 14.11826 
1 1 1  -45    2   46 o   77.302   12.395   44.772   12.985   0.0000   0.0000   44.772   12.985  ?   ?    77.302   12.395      ?      ? 
1 1 1  -45    2   47 o  140.243   6.2446  132.584   10.971  162.179   20.503  120.711   12.986  149.443   10.124  131.044   7.3129 18.39893 12.48924 
1 1 1  -45    2   48 o  136.603   5.1489  131.215   9.5224  130.996   13.756  131.417   13.195  136.382   7.4432  136.824   7.1163 -0.4418488 10.29773 
1 1 1  -45    2   49 o  126.158   5.3703  112.709   9.1382  101.347   12.988  123.846   12.859  119.552   8.0170  132.764   7.1476 -13.21235 10.74059 
1 1 1  -45    2   50 o  154.472   5.1043  167.960   10.675  165.656   15.359  170.113   14.847  153.307   7.3932  155.637   7.0397 -2.329742 10.20863 
1 1 1  -45    2   51 o  112.226   5.5859   89.666   8.4545   81.275   12.085   97.709   11.832  106.768   8.3527  117.684   7.4191 -10.91598 11.17184 
1 1 1  -45    2   52 o  102.798   5.8234   75.395   8.1004   72.753   11.624   77.888   11.294  100.879   8.5033  104.718   7.9589 -3.838348 11.64688 
1 1 1  -45    2   53 o  103.773   7.4287   83.297   9.6313   93.773   12.112   65.284   15.883  114.977   7.7739   92.569   12.661 22.40735 14.85740 
1 1 1  -45    2   54 o  130.937   5.3860  121.499   9.5506  121.296   13.741  121.689   13.284  130.724   7.7567  131.149   7.4744 -0.4245605 10.77191 
1 1 1  -45    2   55 o  142.143   5.2364  142.338   10.063  155.672   14.770  130.785   13.748  148.378   7.3456  135.909   7.4645 12.46912 10.47271 
1 1 1  -45    2   56 o   53.277   9.3823   24.070   7.4460   32.632   9.6643   11.564   11.680   66.303   10.756   40.251   15.376 26.05116 18.76455 
1 1 1  -45    2   57 f  125.654   6.5256  113.819   10.702  111.417   13.409  118.033   17.763  124.957   7.9186  126.351   10.374 -1.393822 13.05115 
1 1 1  -45    2   58 o  163.264   6.3173  196.055   13.320  204.308   16.772  181.956   21.922  169.763   7.2903  156.766   10.319 12.99637 12.63459 
1 1 1  -45    2   59 o  126.112   6.5293  112.822   10.709  105.066   13.219  127.632   18.266  121.049   8.0586  131.176   10.276 -10.12713 13.05865 
1 1 1  -45    2   60 o   82.833   7.8360   50.164   8.4976   45.759   10.558   58.267   14.319   78.685   9.9014   86.981   12.148 -8.295059 15.67201 
1 1 1  -45    2   61 o   99.256   7.5878   76.438   9.5676   83.090   12.061   65.149   15.712  107.257   8.2983   91.255   12.706 16.00219 15.17557 
1 1 1  -45    2   62 o   57.667   15.842   29.193   12.760   0.0000   0.0000   29.193   12.760  ?   ?    57.667   15.842      ?      ? 
1 1 1  -45    2   63 o  134.155   10.554  135.961   19.187   0.0000   0.0000  135.961   19.187  ?   ?   134.155   10.554      ?      ? 
1 1 1  -45    2   64 o   53.735   16.574   26.463   13.271   0.0000   0.0000   26.463   13.271  ?   ?    53.735   16.574      ?      ? 
1 1 1  -45    2   65 o  104.321   11.796   85.228   16.677   0.0000   0.0000   85.228   16.677  ?   ?   104.321   11.796      ?      ? 
1 1 1  -45    2   66 o   91.566   13.006   68.055   16.138   0.0000   0.0000   68.055   16.138  ?   ?    91.566   13.006      ?      ? 
1 1 1  -45    2   67 o   61.784   16.259   35.407   13.798   0.0000   0.0000   35.407   13.798  ?   ?    61.784   16.259      ?      ? 
1 1 1  -45    3    1 o   64.538   6.5588   29.929   5.7039   29.392   8.4718   30.373   7.7144   63.800   9.7988   65.276   8.7211 -1.475723 13.11768 
1 1 1  -45    3    2 o   65.273   6.5944   30.281   5.8059   33.837   8.7241   27.455   7.7786   68.661   9.3762   61.885   9.2753 6.775856 13.18883 
1 1 1  -45    3    3 o   71.748   6.3470   36.952   6.1297   34.033   8.9380   39.544   8.4225   68.801   9.5865   74.695   8.3209 -5.893608 12.69402 
1 1 1  -45    3    4 o  146.590   5.9682  150.546   11.361  145.992   14.097  158.985   19.191  144.351   7.2065  148.828   9.5153 -4.476517 11.93631 
1 1 1  -45    3    5 o  134.481   7.1091  129.666   12.897  147.964   19.044  114.166   17.528  143.391   9.8007  125.571   10.301 17.82028 14.21822 
1 1 1  -45    3    6 o  108.421   7.5014   85.641   10.977   79.757   15.812   91.115   15.251  104.416   11.175  112.426   10.010 -8.010025 15.00274 
1 1 1  -45    3    7 o  136.734   6.3776  138.094   10.787  119.581   18.878  147.068   13.143  128.165   10.869  145.303   6.6750 -17.13725 12.75514 
1 1 1  -45    3    8 o  164.523   5.9807  190.433   12.256  194.425   22.249  188.694   14.685  164.370   9.9884  164.676   6.5806 -0.3054810 11.96132 
1 1 1  -45    3    9 o  125.505   6.3619  114.585   9.8874  105.110   17.586  118.964   11.956  120.323   10.785  130.687   6.7511 -10.36361 12.72382 
1 1 1  -45    3   10 o   89.741   6.9108   53.641   7.8279   69.501   14.558   47.191   9.2843   97.755   10.989   81.728   8.3829 16.02724 13.82167 
1 1 1  -45    3   11 o   80.595   6.3195   45.146   6.7727   59.253   10.348   34.573   8.9578   91.621   8.3343   69.569   9.5017 22.05203 12.63900 
1 1 1  -45    3   12 o  130.001   5.1069  117.861   8.9792  121.237   13.184  114.941   12.263  131.641   7.3903  128.360   7.0501 3.281570 10.21374 
1 1 1  -45    3   13 o   93.766   5.7480   62.071   7.2633   59.922   10.732   63.887   9.8664   92.053   8.6030   95.479   7.6255 -3.425758 11.49606 
1 1 1  -45    3   14 o  111.768   6.4953   87.758   9.4215   85.166   11.684   92.575   15.929  110.157   7.8273  113.379   10.368 -3.221931 12.99051 
1 1 1  -45    3   15 o  137.542   6.1680  132.187   10.980  128.320   13.570  139.517   18.684  135.486   7.3911  139.598   9.8765 -4.112640 12.33590 
1 1 1  -45    3   16 o  122.110   6.5580  108.941   10.252  116.547   12.883   95.810   16.928  129.150   7.3608  115.069   10.856 14.08109 13.11593 
1 1 1  -45    3   17 o  105.847   5.4899   78.367   7.8617   81.370   11.522   75.751   10.754  107.680   7.8962  104.015   7.6294 3.665024 10.97987 
1 1 1  -45    3   18 o   63.803   7.6807   30.357   6.3548   24.714   9.2787   35.342   8.7213   57.038   12.361   70.568   9.1198 -13.53018 15.36132 
1 1 1  -45    3   19 o   50.606   8.3036   18.552   6.0413   29.912   8.9810   9.1635   8.1646   64.539   10.269   36.672   13.052 27.86684 16.60730 
1 1 1  -45    3   20 o  124.167   5.2359  107.587   8.7928  109.562   12.890  105.868   12.025  125.131   7.6014  123.203   7.2024 1.927612 10.47171 
1 1 1  -45    3   21 o  105.045   5.6027   77.268   7.9525   79.329   11.759   75.532   10.795  106.219   8.1695  103.870   7.6694 2.349358 11.20542 
1 1 1  -45    3   22 o   84.405   6.7480   50.512   6.7029   50.278   7.7661   51.194   13.272   85.059   6.7376   83.751   11.694 1.308067 13.49603 
1 1 1  -45    3   23 o   77.636   7.0864   43.172   6.4726   43.218   7.5119   43.040   12.754   78.772   7.0372   76.501   12.302 2.270996 14.17278 
1 1 1  -45    3   24 o  101.759   6.6472   80.226   7.7052   87.894   9.0642   60.249   14.630  112.780   5.9309   90.738   11.898 22.04124 13.29432 
1 1 1  -45    3   25 o  116.310   5.9373   97.115   8.1636   99.217   9.5413   91.373   15.771  119.843   5.8751  112.777   10.319 7.066185 11.87458 
1 1 1  -45    3   26 o   37.782   9.3732   9.1505   5.3925   7.9987   6.2799   12.384   10.522   33.873   11.481   41.690   14.819 -7.816856 18.74650 
1 1 1  -45    3   27 f   52.287   9.0071   20.696   5.8481   20.554   6.8709   21.070   11.141   52.865   9.9562   51.709   15.013 1.155949 18.01426 
1 1 1  -45    3   28 o  104.589   5.9384   73.469   7.5704   69.054   8.8294   85.725   14.710   99.740   6.5325  109.438   9.9189 -9.697433 11.87680 
1 1 1  -45    3   29 o  117.960   6.4755   98.830   10.099   98.831   12.961   98.829   16.113  118.570   8.0664  117.349   10.132 1.220703 12.95095 
1 1 1  -45    3   30 o  138.349   6.2286  134.917   11.390  132.753   14.547  138.346   18.308  137.563   7.8037  139.135   9.7101 -1.571869 12.45728 
1 1 1  -45    3   31 o   95.169   6.6924   64.529   8.1743   64.433   10.083   64.711   13.962   95.842   7.7634   94.497   10.903 1.345299 13.38480 
1 1 1  -45    3   32 o   94.112   6.6957   63.982   8.0364   65.786   9.9328   60.563   13.675   96.914   7.5632   91.310   11.051 5.603233 13.39142 
1 1 1  -45    3   33 o  131.175   6.1347  124.286   10.276  130.137   12.783  113.598   17.277  136.662   6.9021  125.688   10.144 10.97384 12.26933 
1 1 1  -45    3   34 o   61.002   7.4124   27.995   5.7983   19.799   8.3275   35.708   8.0784   50.896   12.227   71.108   8.3835 -20.21139 14.82486 
1 1 1  -45    3   35 o   75.899   6.1947   40.778   6.3648   42.563   9.2626   39.181   8.7608   77.444   8.8259   74.354   8.6948 3.090820 12.38938 
1 1 1  -45    3   36 o  117.532   6.1590   97.000   9.4423   94.436   11.793  101.580   15.760  116.068   7.4978  118.997   9.7732 -2.928719 12.31800 
1 1 1  -45    3   37 o  176.382   5.8614  218.403   13.320  215.264   16.437  224.408   22.737  175.655   6.9051  177.110   9.4733 -1.454956 11.72277 
1 1 1  -45    3   38 o  145.758   4.9128  148.432   9.6958  144.898   13.884  151.796   13.546  143.957   7.1170  147.559   6.7744 -3.601364 9.825677 
1 1 1  -45    3   39 o  103.899   5.4275   75.724   7.6329   79.693   11.119   72.187   10.497  106.452   7.7081  101.346   7.6430 5.106224 10.85491 
1 1 1  -45    3   40 o  143.320   7.0549  148.243   13.689  144.232   19.586  152.072   19.140  141.195   10.236  145.444   9.7108 -4.248993 14.10972 
1 1 1  -45    3   41 o  138.316   7.1988  138.940   13.430  127.237   19.264  150.008   18.734  132.111   10.760  144.521   9.5657 -12.40910 14.39755 
1 1 1  -45    3   42 f   73.810   8.5779   41.704   7.5075   38.994   13.672   42.874   8.9831   69.932   14.883   77.688   8.5328 -7.756279 17.15589 
1 1 1  -45    3   43 o   65.353   7.4483   31.956   6.3022   27.694   9.4230   35.406   8.4772   60.269   11.960   70.437   8.8811 -10.16796 14.89654 
1 1 1  -45    3   44 o   56.286   8.1526   23.894   5.9648   25.601   9.1115   22.615   7.8906   57.824   12.020   54.747   11.017 3.076153 16.30515 
1 1 1  -45    3   45 o   74.605   6.6270   38.944   6.5361   53.033   10.082   28.731   8.5842   86.270   8.6242   62.941   10.064 23.32866 13.25392 
1 1 1  -45    3   46 o   77.632   6.3925   43.508   6.6569   40.145   9.8715   46.313   9.0153   74.501   9.7778   80.763   8.2373 -6.262688 12.78509 
1 1 1  -45    3   47 o   77.691   6.6233   44.311   6.8054   35.483   9.9379   52.106   9.3386   69.651   10.529   85.731   8.0383 -16.08010 13.24665 
1 1 1  -45    3   48 o   48.944   10.175   18.194   6.7202   22.323   12.465   16.502   7.9792   51.908   16.071   45.979   12.484 5.928410 20.35044 
1 1 1  -45    3   49 o   58.018   8.1297   25.744   6.2260   21.906   9.1200   29.093   8.5202   52.781   12.867   63.255   9.9397 -10.47387 16.25933 
1 1 1  -45    3   50 o  149.142   5.0769  156.049   10.244  166.275   15.014  147.145   14.011  153.674   7.2098  144.609   7.1496 9.064957 10.15377 
1 1 1  -45    3   51 o  147.335   5.1164  152.557   10.194  159.372   15.010  146.721   13.889  150.274   7.3706  144.396   7.0981 5.878510 10.23274 
1 1 1  -45    3   52 o   71.949   6.9691   37.277   6.7537   42.898   10.202   32.891   9.0111   76.743   9.8094   67.154   9.9021 9.589493 13.93824 
1 1 1  -45    3   53 o   95.651   7.3392   67.242   9.1032   67.190   11.381   67.334   15.168   96.731   8.6819   94.572   11.836 2.158836 14.67842 
1 1 1  -45    3   54 o  144.085   7.5982  147.243   14.836  147.243   14.836   0.0000   0.0000  144.085   7.5982  ?   ?       ?      ? 
1 1 1  -45    3   55 o  142.851   6.6460  152.404   12.090  162.700   15.129  134.209   20.110  151.595   7.3643  134.108   11.066 17.48651 13.29209 
1 1 1  -45    3   56 o   89.409   7.7145   60.937   8.8979   65.156   11.315   54.100   14.403   94.997   8.7896   83.820   12.681 11.17784 15.42903 
1 1 1  -45    3   57 o   68.068   9.3214   37.587   8.0969   40.891   10.335   32.336   13.028   74.351   10.258   61.786   15.567 12.56470 18.64288 
1 1 1  -45    3   58 o   97.696   7.0540   67.400   9.0680   58.345   11.296   83.813   15.208   89.373   9.3266  106.018   10.585 -16.64422 14.10803 
1 1 1  -45    3   59 o   75.867   8.2330   41.530   8.0400   33.298   9.9810   56.742   13.568   65.441   11.684   86.294   11.603 -20.85318 16.46608 
1 1 1  -45    3   60 o  121.466   8.2191  114.291   13.277   97.861   19.529  128.411   18.104  111.612   12.912  131.321   10.173 -19.70913 16.43820 
1 1 1  -45    3   61 o   94.695   8.9674   70.745   11.376   67.280   17.045   73.529   15.276   91.446   13.755   97.944   11.509 -6.498146 17.93474 
1 1 1  -45    3   62 o   76.795   10.432   49.652   10.531   45.882   15.679   52.751   14.215   72.019   16.429   81.572   12.860 -9.553017 20.86340 
1 1 1  -45    3   63 o  120.113   11.237  110.947   18.291   0.0000   0.0000  110.947   18.291  ?   ?   120.113   11.237      ?      ? 
1 1 1  -45    3   64 o   90.090   12.865   65.124   15.706   0.0000   0.0000   65.124   15.706  ?   ?    90.090   12.865      ?      ? 
1 1 1  -45    3   65 f   84.704   13.535   58.963   15.537   0.0000   0.0000   58.963   15.537  ?   ?    84.704   13.535      ?      ? 
1 1 1  -45    3   66 o   55.103   16.724   28.915   13.581   0.0000   0.0000   28.915   13.581  ?   ?    55.103   16.724      ?      ? 
1 1 1  -45    3   67 o   93.092   12.785   70.943   16.129   0.0000   0.0000   70.943   16.129  ?   ?    93.092   12.785      ?      ? 
1 1 1  -45    4    1 o   52.384   11.947   21.138   8.2929   21.138   8.2929   0.0000   0.0000   52.384   11.947  ?   ?       ?      ? 
1 1 1  -45    4    2 o  166.815   6.9571  194.920   15.727  194.920   15.727   0.0000   0.0000  166.815   6.9571  ?   ?       ?      ? 
1 1 1  -45    4    3 o  126.944   7.3260  113.225   12.603  113.225   12.603   0.0000   0.0000  126.944   7.3260  ?   ?       ?      ? 
1 1 1  -45    4    4 o  124.731   4.9389  109.405   8.2779  104.475   12.359  113.416   11.148  121.874   7.4834  127.587   6.4475 -5.712975 9.877801 
1 1 1  -45    4    5 o  163.509   4.7536  186.652   10.480  186.558   15.608  186.730   14.142  163.227   7.0564  163.792   6.3714 -0.5653381 9.507203 
1 1 1  -45    4    6 o  150.772   4.8091  158.878   9.7741  157.418   14.540  160.082   13.202  149.897   7.1582  151.646   6.4241 -1.748764 9.618155 
1 1 1  -45    4    7 o  147.872   4.8459  151.183   9.6528  167.065   14.661  139.032   12.825  154.562   6.9998  141.182   6.7032 13.38025 9.691758 
1 1 1  -45    4    8 o  151.399   4.8466  160.028   9.8933  160.107   14.741  159.963   13.346  151.206   7.1939  151.592   6.4965 -0.3861694 9.693172 
1 1 1  -45    4    9 o  114.598   5.2145   92.974   8.0019   84.226   11.883  100.232   10.824  109.261   8.0256  119.934   6.6597 -10.67265 10.42891 
1 1 1  -45    4   10 o   96.674   7.0198   70.066   8.7175   80.287   11.313   55.127   13.677  106.804   7.8165   86.544   11.662 20.26065 14.03958 
1 1 1  -45    4   11 o   76.540   7.5068   42.778   7.5896   43.919   9.8101   41.076   11.978   78.438   9.2292   74.642   11.842 3.796219 15.01370 
1 1 1  -45    4   12 o  110.683   6.3058   86.208   9.2301   83.042   11.747   91.315   14.922  108.573   7.9841  112.792   9.7625 -4.219124 12.61162 
1 1 1  -45    4   13 o  106.843   5.4071   79.799   7.7879   83.386   11.721   76.965   10.421  108.834   7.9475  104.852   7.3339 3.981369 10.81426 
1 1 1  -45    4   14 o  124.458   5.1253  108.076   8.6152  111.366   12.790  105.343   11.656  126.058   7.4873  122.858   7.0012 3.199814 10.25065 
1 1 1  -45    4   15 o  106.161   5.4794   78.706   7.8528   84.205   11.746   74.261   10.559  109.410   7.9225  102.911   7.5716 6.499168 10.95882 
1 1 1  -45    4   16 o  101.763   5.5845   72.681   7.6723   74.298   11.401   71.344   10.372  102.653   8.1959  100.873   7.5878 1.779778 11.16904 
1 1 1  -45    4   17 o  108.193   5.4911   82.813   7.9818   74.963   11.675   89.703   10.937  103.041   8.3610  113.346   7.1206 -10.30555 10.98224 
1 1 1  -45    4   18 o   84.207   7.7874   50.898   8.3338   49.703   10.134   53.396   14.648   83.671   8.9374   84.743   12.755 -1.072052 15.57470 
1 1 1  -45    4   19 o   68.055   8.8251   30.334   7.5724   20.267   9.1034   52.946   13.643   51.199   13.075   84.910   11.857 -33.71106 17.65025 
1 1 1  -45    4   20 o  112.385   6.6744   85.378   9.6485   75.998   11.674  105.594   17.139  103.803   8.2990  120.967   10.456 -17.16427 13.34890 
1 1 1  -45    4   21 o  157.678   5.3841  173.769   10.165  173.234   11.879  175.234   19.642  158.464   5.5317  156.892   9.2386 1.571793 10.76811 
1 1 1  -45    4   22 o  162.428   5.4956  187.025   10.661  189.299   12.493  180.930   20.450  165.632   5.5658  159.224   9.4777 6.408096 10.99111 
1 1 1  -45    4   23 o  173.760   5.4564  212.584   11.349  213.574   13.288  209.915   21.816  175.928   5.5738  171.592   9.3819 4.335861 10.91273 
1 1 1  -45    4   24 o  139.688   5.7938  142.905   9.5840  149.691   11.297  125.479   18.104  147.241   5.6617  132.135   10.110 15.10561 11.58766 
1 1 1  -45    4   25 o  114.441   5.8477   92.376   8.0950   92.439   9.5301   92.213   15.339  115.536   6.0869  113.346   9.9865 2.189896 11.69530 
1 1 1  -45    4   26 f   49.238   9.3248   18.872   6.1159   19.429   7.4152   17.687   10.816   50.870   11.071   47.606   15.008 3.263359 18.64956 
1 1 1  -45    4   27 o   83.815   7.0139   51.630   7.4849   54.594   9.3242   46.260   12.552   88.170   7.8038   79.460   11.657 8.710419 14.02773 
1 1 1  -45    4   28 f  111.087   6.3723   90.029   9.0399   95.862   11.312   79.723   15.037  117.171   7.1245  105.004   10.567 12.16660 12.74459 
1 1 1  -45    4   29 o  109.025   6.0415   85.431   7.9685   87.273   9.4377   80.860   14.871  112.192   6.2076  105.858   10.367 6.334328 12.08309 
1 1 1  -45    4   30 o  114.991   5.9116   94.884   8.2578   96.976   9.8056   89.782   15.313  118.296   6.1168  111.686   10.118 6.610023 11.82320 
1 1 1  -45    4   31 o  123.173   6.2890  108.366   10.283  111.044   13.390  104.516   16.055  125.660   7.8633  120.687   9.8170 4.973709 12.57798 
1 1 1  -45    4   32 o   94.530   6.9148   64.573   8.7266   67.315   11.575   60.961   13.283   97.388   8.7708   91.672   10.692 5.715584 13.82950 
1 1 1  -45    4   33 o  107.571   6.0430   81.021   7.9505   79.764   9.3893   84.205   14.946  107.113   6.4685  108.028   10.209 -0.9150391 12.08595 
1 1 1  -45    4   34 o   77.225   7.0070   42.586   6.7310   42.109   8.0602   43.686   12.235   77.411   7.6836   77.040   11.720 0.3706131 14.01394 
1 1 1  -45    4   35 o  102.977   6.5260   75.008   8.7069   73.264   10.795   78.257   14.730  102.030   7.8071  103.923   10.460 -1.892517 13.05207 
1 1 1  -45    4   36 o  111.886   7.2600   90.405   10.998   95.223   15.912   85.998   15.219  114.760   10.232  109.012   10.302 5.747604 14.51997 
1 1 1  -45    4   37 o  149.196   5.9424  153.458   11.221  169.939   20.181  146.083   13.500  153.765   9.6851  144.627   6.8880 9.138275 11.88470 
1 1 1  -45    4   38 o  126.823   7.2342  116.212   12.416  121.140   18.147  111.876   17.024  129.241   10.361  124.406   10.098 4.834763 14.46841 
1 1 1  -45    4   39 o  161.327   5.9837  184.358   12.538  183.458   15.658  185.965   20.931  161.834   7.1397  160.820   9.6044 1.013596 11.96740 
1 1 1  -45    4   40 o  157.678   4.8923  173.347   10.435  182.759   15.328  165.217   14.246  161.597   6.9997  153.759   6.8370 7.838272 9.784650 
1 1 1  -45    4   41 o  136.700   5.0282  130.280   9.2899  141.882   13.737  120.502   12.611  142.270   7.1251  131.131   7.0969 11.13965 10.05645 
1 1 1  -45    4   42 o  123.947   5.2568  108.459   8.7874  102.603   12.833  113.629   12.058  120.519   7.8574  127.376   6.9856 -6.856056 10.51367 
1 1 1  -45    4   43 o  165.126   4.9223  190.634   10.998  197.536   16.092  184.585   15.065  167.835   7.0754  162.416   6.8450 5.419571 9.844550 
1 1 1  -45    4   44 o   57.740   8.0656   25.683   6.1004   20.499   9.1125   29.893   8.2122   51.047   13.106   64.433   9.4052 -13.38557 16.13127 
1 1 1  -45    4   45 o  104.440   5.5654   76.622   7.8450   83.929   11.755   70.754   10.534  108.840   7.9699  100.041   7.7703 8.799034 11.13089 
1 1 1  -45    4   46 o  141.589   5.1223  141.170   9.8009  138.972   14.331  143.101   13.434  140.338   7.5357  142.839   6.9400 -2.501465 10.24451 
1 1 1  -45    4   47 o  162.588   5.0737  186.801   11.121  171.099   16.044  201.320   15.428  155.610   7.6086  169.567   6.7141 -13.95674 10.14741 
1 1 1  -45    4   48 o   97.848   5.8475   68.845   7.6670   61.689   11.284   74.982   10.450   92.646   8.9875  103.050   7.4831 -10.40404 11.69500 
1 1 1  -45    4   49 f   84.560   8.7763   58.157   8.3713   45.839   15.404   63.319   9.9724   74.612   15.731   94.507   7.7867 -19.89532 17.55253 
1 1 1  -45    4   50 o   75.752   8.7039   45.170   8.2639   49.674   10.601   38.191   13.194   82.804   9.4470   68.701   14.621 14.10303 17.40779 
1 1 1  -45    4   51 o   89.006   7.2562   56.821   8.5416   52.356   10.797   64.289   13.965   85.006   9.3726   93.006   11.080 -7.999748 14.51249 
1 1 1  -45    4   52 o   77.304   7.9043   44.547   8.0547   44.562   10.310   44.523   12.903   78.175   9.7323   76.433   12.458 1.742180 15.80868 
1 1 1  -45    4   53 o   71.648   8.5047   38.914   7.7890   37.793   9.8222   40.814   12.785   71.739   10.104   71.556   13.683 0.1824493 17.00934 
1 1 1  -45    4   54 o   41.382   10.144   13.484   7.0332   15.676   8.9888   10.022   11.294   44.193   13.642   38.571   15.016 5.622204 20.28782 
1 1 1  -45    4   55 o   26.145   11.670  -1.3921   8.4203  -1.3921   8.4203   0.0000   0.0000   26.145   11.670  ?   ?       ?      ? 
1 1 1  -45    4   56 o   37.727   13.535   10.603   8.7972   10.603   8.7972   0.0000   0.0000   37.727   13.535  ?   ?       ?      ? 
1 1 1  -45    4   57 o   68.938   9.2661   37.780   8.1234   38.226   10.205   37.008   13.421   71.596   10.518   66.280   15.258 5.315704 18.53220 
1 1 1  -45    4   58 o   49.825   11.596   21.487   9.0099   23.898   13.680   19.640   11.974   51.803   16.931   47.846   15.850 3.956875 23.19172 
1 1 1  -45    4   59 o   50.452   10.730   21.757   9.1487   7.0141   13.502   34.271   12.439   37.047   15.651   63.856   14.682 -26.80945 21.45963 
1 1 1  -45    4   60 o   65.479   11.568   37.489   10.209   43.478   15.392   32.785   13.642   70.172   16.470   60.787   16.249 9.384743 23.13592 
1 1 1  -45    4   61 o   59.772   11.658   32.299   9.7450   31.401   14.461   33.047   13.190   58.303   17.155   61.240   15.791 -2.937153 23.31655 
1 1 1  -45    4   62 o   89.387   9.2151   63.624   11.119   71.460   16.462   57.049   15.079   94.618   12.839   84.155   13.222 10.46223 18.43011 
1 1 1  -45    4   63 o   66.468   11.305   39.356   10.179   49.214   14.929   30.792   13.915   75.461   15.126   57.475   16.804 17.98677 22.60909 
1 1 1  -45    4   64 o   74.737   14.858   48.309   14.518   0.0000   0.0000   48.309   14.518  ?   ?    74.737   14.858      ?      ? 
1 1 1  -45    4   65 o   71.099   15.294   44.820   14.298   0.0000   0.0000   44.820   14.298  ?   ?    71.099   15.294      ?      ? 
1 1 1  -45    4   66 o   85.411   13.455   60.909   15.573   0.0000   0.0000   60.909   15.573  ?   ?    85.411   13.455      ?      ? 
1 1 1  -45    4   67 o   65.621   16.308   40.684   14.439   0.0000   0.0000   40.684   14.439  ?   ?    65.621   16.308      ?      ? 
1 1 1  -45    4   68 o   65.091   16.601   41.071   14.689   0.0000   0.0000   41.071   14.689  ?   ?    65.091   16.601      ?      ? 
1 1 1  -45    5    1 o  113.396   7.5647   90.805   11.624   90.805   11.624   0.0000   0.0000  113.396   7.5647  ?   ?       ?      ? 
1 1 1  -45    5    2 o   85.503   8.3805   52.071   9.7104   52.071   9.7104   0.0000   0.0000   85.503   8.3805  ?   ?       ?      ? 
1 1 1  -45    5    3 o   47.567   12.436   17.638   8.1063   17.638   8.1063   0.0000   0.0000   47.567   12.436  ?   ?       ?      ? 
1 1 1  -45    5    4 o   78.735   9.0003   44.422   9.6031   44.422   9.6031   0.0000   0.0000   78.735   9.0003  ?   ?       ?      ? 
1 1 1  -45    5    5 f  127.751   7.2177  114.626   12.495  114.626   12.495   0.0000   0.0000  127.751   7.2177  ?   ?       ?      ? 
1 1 1  -45    5    6 o  111.931   7.6901   88.374   11.665   88.374   11.665   0.0000   0.0000  111.931   7.6901  ?   ?       ?      ? 
1 1 1  -45    5    7 o  122.847   7.4811  106.184   12.454  106.184   12.454   0.0000   0.0000  122.847   7.4811  ?   ?       ?      ? 
1 1 1  -45    5    8 o   98.176   5.3861   68.119   7.0664   66.326   10.840   69.444   9.3181   96.715   8.2713   99.637   6.9012 -2.922409 10.77220 
1 1 1  -45    5    9 o  127.326   4.9525  112.385   8.4677  121.387   13.054  105.845   11.126  131.494   7.3257  123.157   6.6665 8.336716 9.904945 
1 1 1  -45    5   10 o  122.911   5.0152  106.147   8.2839  102.734   12.418  108.883   11.120  120.840   7.5834  124.983   6.5653 -4.142929 10.03049 
1 1 1  -45    5   11 o   97.244   5.4367   65.882   7.0980   71.602   10.960   61.749   9.3157  100.674   8.0335   93.813   7.3277 6.860512 10.87345 
1 1 1  -45    5   12 o  121.030   5.0413  102.284   8.2125  104.904   12.414  100.244   10.952  122.198   7.4965  119.861   6.7424 2.337601 10.08251 
1 1 1  -45    5   13 o  115.642   5.2516   94.574   8.1521   86.841   12.047  101.108   11.073  110.917   8.0146  120.366   6.7883 -9.448921 10.50310 
1 1 1  -45    5   14 o  127.148   5.9815  114.347   10.079  113.379   12.958  115.829   16.034  127.054   7.5263  127.243   9.2989 -0.1889267 11.96305 
1 1 1  -45    5   15 o   50.265   8.6394   20.158   6.8668   31.985   9.1267   4.7277   10.424   66.554   10.119   33.976   14.005 32.57770 17.27876 
1 1 1  -45    5   16 o   90.747   5.9219   58.568   7.2133   55.968   10.816   60.651   9.6805   88.620   9.0062   92.874   7.6917 -4.253700 11.84375 
1 1 1  -45    5   17 o   99.339   6.9823   69.654   8.5768   74.407   15.910   67.706   10.183  100.526   11.679   98.151   7.6561 2.375214 13.96454 
1 1 1  -45    5   18 o  135.863   6.4029  134.328   10.725  124.179   19.255  138.892   12.913  130.573   10.882  141.152   6.7508 -10.57886 12.80576 
1 1 1  -45    5   19 o   51.776   9.6742   22.208   6.8132   15.849   12.284   25.034   8.1879   45.631   16.033   57.920   10.830 -12.28920 19.34835 
1 1 1  -45    5   20 o  137.608   5.8784  136.553   10.365  143.144   12.941  124.759   17.310  143.360   6.6612  131.855   9.6877 11.50508 11.75688 
1 1 1  -45    5   21 o  147.847   5.7918  151.621   10.935  146.319   13.302  162.670   19.203  144.877   6.7752  150.818   9.3956 -5.941193 11.58369 
1 1 1  -45    5   22 o  131.377   5.7914  119.411   10.311  119.411   10.311   0.0000   0.0000  131.377   5.7914  ?   ?       ?      ? 
1 1 1  -45    5   23 o  114.725   6.0680   96.132   8.1937   99.483   9.5958   87.112   15.743  119.865   5.9076  109.586   10.601 10.27875 12.13592 
1 1 1  -45    5   24 o  140.834   5.5806  143.331   9.4445  148.233   11.178  131.101   17.656  146.457   5.6322  135.211   9.6358 11.24582 11.16114 
1 1 1  -45    5   25 o  124.392   5.8385  114.754   8.6672  122.222   10.318   96.853   15.975  132.941   5.7273  115.843   10.176 17.09837 11.67704 
1 1 1  -45    5   26 f   54.731   8.4005   23.434   5.6085   24.765   6.6149   20.030   10.577   59.200   8.2456   50.262   14.639 8.938339 16.80110 
1 1 1  -45    5   27 o  133.394   5.5989  127.307   9.0109  129.919   10.649  120.720   16.910  137.053   5.7336  129.735   9.6185 7.318100 11.19774 
1 1 1  -45    5   28 o   94.512   6.7059   68.813   7.4624   75.758   8.9362   52.810   13.565  104.425   6.3149   84.600   11.832 19.82499 13.41188 
1 1 1  -45    5   29 o   93.480   5.9770   57.127   7.0029   50.162   8.2525   75.044   13.236   84.655   7.1937  102.306   9.5472 -17.65052 11.95398 
1 1 1  -45    5   30 o   56.389   8.4784   22.372   5.9678   18.589   7.1972   30.697   10.676   49.648   10.988   63.130   12.915 -13.48183 16.95676 
1 1 1  -45    5   31 o  130.329   6.7633  121.949   11.918  112.210   16.752  131.930   16.959  124.794   9.9058  135.865   9.2109 -11.07158 13.52651 
1 1 1  -45    5   32 o  110.691   6.3743   86.102   9.3686   81.151   11.967   93.942   15.058  107.096   8.2455  114.286   9.7230 -7.190567 12.74852 
1 1 1  -45    5   33 o  108.116   8.6527   88.439   11.985   81.349   19.917   92.464   15.007  102.907   14.282  113.324   9.7720 -10.41782 17.30532 
1 1 1  -45    5   34 f  112.071   6.6463   88.809   10.021   77.185   13.325  103.940   15.204  103.693   9.4831  120.449   9.3147 -16.75584 13.29260 
1 1 1  -45    5   35 o  124.576   5.8802  112.621   9.0012  116.808   10.819  103.207   16.224  129.669   6.1570  119.482   10.020 10.18716 11.76042 
1 1 1  -45    5   36 o  122.563   5.8054  105.479   8.8056  104.138   10.491  108.676   16.198  122.335   6.3284  122.790   9.7345 -0.4547424 11.61071 
1 1 1  -45    5   37 o   94.577   5.6051   63.621   7.1290   57.039   10.321   69.626   9.8585   89.575   8.5027   99.579   7.3057 -10.00420 11.21020 
1 1 1  -45    5   38 o  115.072   5.2105   93.242   8.0931   90.799   11.886   95.354   11.051  113.456   7.7306  116.688   6.9883 -3.232040 10.42109 
1 1 1  -45    5   39 o  119.965   5.1461  100.474   8.3399  110.115   12.382   92.467   11.284  125.188   7.2984  114.742   7.2568 10.44621 10.29216 
1 1 1  -45    5   40 o  125.617   6.2406  111.143   10.171  107.210   12.596  118.513   17.243  123.352   7.5356  127.882   9.9498 -4.529678 12.48128 
1 1 1  -45    5   41 o   74.846   6.5416   40.283   6.6104   40.037   9.7471   40.491   8.9951   74.440   9.6625   75.252   8.8207 -0.8121185 13.08318 
1 1 1  -45    5   42 o   54.419   8.4223   22.583   6.0050   24.787   9.0982   20.882   7.9934   56.651   12.211   52.187   11.603 4.463326 16.84469 
1 1 1  -45    5   43 o   95.209   5.7882   64.039   7.4382   68.661   11.141   60.321   9.9916   98.187   8.3728   92.230   7.9943 5.957253 11.57632 
1 1 1  -45    5   44 f  115.232   5.3608   93.906   8.3263   92.524   12.369   95.051   11.259  114.194   7.9928  116.270   7.1461 -2.075562 10.72157 
1 1 1  -45    5   45 o  155.275   4.9862  168.998   10.462  175.191   15.490  163.803   14.188  157.727   7.2469  152.822   6.8508 4.905197 9.972495 
1 1 1  -45    5   46 o   76.559   6.8177   43.782   6.8167   34.922   10.318   50.645   9.0807   68.658   11.090   84.460   7.9338 -15.80245 13.63550 
1 1 1  -45    5   47 o  140.877   6.1673  140.688   11.430  135.530   14.426  149.389   18.736  138.311   7.6966  143.444   9.6386 -5.132645 12.33451 
1 1 1  -45    5   48 o   55.624   9.8384   23.893   7.3834   18.123   9.5205   32.601   11.695   47.457   13.907   63.791   13.920 -16.33427 19.67674 
1 1 1  -45    5   49 f   82.004   7.6562   49.594   8.2648   48.914   10.512   50.695   13.374   82.104   9.4480   81.904   12.050 0.2005081 15.31239 
1 1 1  -45    5   50 o   55.756   11.143   26.555   8.9008   22.291   13.392   29.929   11.912   51.133   16.754   60.379   14.697 -9.245586 22.28679 
1 1 1  -45    5   51 o   59.787   9.5753   27.617   7.4630   22.925   9.5213   35.092   12.018   53.502   13.211   66.073   13.864 -12.57069 19.15069 
1 1 1  -45    5   52 o   93.740   7.1011   63.968   8.7953   61.786   11.195   67.488   14.216   92.434   8.9373   95.045   11.038 -2.611038 14.20227 
1 1 1  -45    5   53 f   67.750   9.0777   37.239   7.8468   42.083   10.152   30.049   12.367   75.678   9.8990   59.822   15.219 15.85618 18.15532 
1 1 1  -45    5   54 o   74.220   8.3132   42.057   7.9307   41.496   10.125   42.949   12.757   75.040   9.9571   73.401   13.315 1.638718 16.62639 
1 1 1  -45    5   55 o   45.093   10.759   16.643   8.5297   6.7046   13.002   24.152   11.302   36.747   15.432   53.439   14.995 -16.69245 21.51772 
1 1 1  -45    5   56 f   50.105   17.205   22.291   14.107   22.291   14.107   0.0000   0.0000   50.105   17.205  ?   ?       ?      ? 
1 1 1  -45    5   57 o   51.796   11.655   23.189   9.2152   29.393   14.076   18.535   12.191   57.098   16.958   46.494   15.993 10.60370 23.30950 
1 1 1  -45    5   58 o   53.290   10.852   25.737   9.1319   12.845   14.062   35.140   12.009   41.462   16.565   65.118   14.023 -23.65588 21.70377 
1 1 1  -45    5   59 o   58.804   11.507   31.534   9.6657   25.672   14.503   36.218   12.965   52.555   17.445   65.053   15.012 -12.49721 23.01476 
1 1 1  -45    5   60 o   56.295   11.079   28.730   9.5033   16.345   13.741   40.084   13.157   43.824   16.692   68.765   14.572 -24.94122 22.15800 
1 1 1  -45    5   61 o   48.633   11.343   21.084   9.1721   12.814   13.019   29.234   12.924   40.478   16.013   56.787   16.071 -16.30908 22.68673 
1 1 1  -45    5   62 f   48.391   11.834   21.835   9.4556   20.860   13.458   22.787   13.288   47.414   16.770   49.369   16.701 -1.955017 23.66765 
1 1 1  -45    5   63 o   85.158   9.9479   61.116   11.146   54.302   15.700   68.040   15.827   78.655   15.281   91.660   12.742 -13.00438 19.89578 
1 1 1  -45    5   64 f  104.316   12.269   87.671   17.344   0.0000   0.0000   87.671   17.344  ?   ?   104.316   12.269      ?      ? 
1 1 1  -45    5   65 o   74.747   15.767   50.899   15.468   0.0000   0.0000   50.899   15.468  ?   ?    74.747   15.767      ?      ? 
1 1 1  -45    5   66 o   34.529   14.965   6.4058   12.933   0.0000   0.0000   6.4058   12.933  ?   ?    34.529   14.965      ?      ? 
1 1 1  -45    5   67 o   64.409   17.010   41.230   15.067   0.0000   0.0000   41.230   15.067  ?   ?    64.409   17.010      ?      ? 
1 1 1  -45    5   68 o   34.543   15.103   6.9243   13.418   0.0000   0.0000   6.9243   13.418  ?   ?    34.543   15.103      ?      ? 
1 1 1  -45    6    1 o   43.507   15.313   14.772   11.209   14.772   11.209   0.0000   0.0000   43.507   15.313  ?   ?       ?      ? 
1 1 1  -45    6    2 o   80.013   12.738   48.763   13.812   48.763   13.812   0.0000   0.0000   80.013   12.738  ?   ?       ?      ? 
1 1 1  -45    6    3 o  134.854   10.479  133.453   19.150  133.453   19.150   0.0000   0.0000  134.854   10.479  ?   ?       ?      ? 
1 1 1  -45    6    4 o   98.238   11.839   72.239   15.760   72.239   15.760   0.0000   0.0000   98.238   11.839  ?   ?       ?      ? 
1 1 1  -45    6    5 o  103.143   11.428   79.039   15.973   79.039   15.973   0.0000   0.0000  103.143   11.428  ?   ?       ?      ? 
1 1 1  -45    6    6 f   93.814   11.564   65.466   14.702   65.466   14.702   0.0000   0.0000   93.814   11.564  ?   ?       ?      ? 
1 1 1  -45    6    7 o  120.692   10.832  107.080   17.715  107.080   17.715   0.0000   0.0000  120.692   10.832  ?   ?       ?      ? 
1 1 1  -45    6    8 o  131.240   10.693  126.272   19.017  126.272   19.017   0.0000   0.0000  131.240   10.693  ?   ?       ?      ? 
1 1 1  -45    6    9 o   96.501   8.3924   66.256   10.975   66.256   10.975   0.0000   0.0000   96.501   8.3924  ?   ?       ?      ? 
1 1 1  -45    6   10 o  114.147   7.9184   92.184   12.249   92.184   12.249   0.0000   0.0000  114.147   7.9184  ?   ?       ?      ? 
1 1 1  -45    6   11 o   90.594   8.6898   58.544   10.668   58.544   10.668   0.0000   0.0000   90.594   8.6898  ?   ?       ?      ? 
1 1 1  -45    6   12 o  106.159   8.0354   79.779   11.560   79.779   11.560   0.0000   0.0000  106.159   8.0354  ?   ?       ?      ? 
1 1 1  -45    6   13 o   97.794   5.6558   68.511   7.3535   62.152   11.201   73.328   9.7488   93.286   8.8602  102.302   7.0320 -9.016335 11.31166 
1 1 1  -45    6   14 o   57.025   7.8863   22.885   5.8925   34.819   9.5097   15.448   7.5073   69.293   10.127   44.757   12.092 24.53624 15.77258 
1 1 1  -45    6   15 o  147.528   4.9192  151.534   9.7618  158.752   14.863  146.058   12.945  150.367   7.2941  144.689   6.6023 5.678925 9.838420 
1 1 1  -45    6   16 o  196.293   4.9184  269.562   13.035  270.485   19.283  268.786   17.688  196.335   7.2474  196.251   6.6511 0.8459473E-01 9.836744 
1 1 1  -45    6   17 o  158.318   7.3665  176.048   15.804  176.048   15.804   0.0000   0.0000  158.318   7.3665  ?   ?       ?      ? 
1 1 1  -45    6   18 o   77.552   7.4104   43.997   7.6823   45.521   10.203   42.001   11.674   79.607   9.4575   75.497   11.411 4.109924 14.82080 
1 1 1  -45    6   19 o   93.120   5.9131   59.439   6.7929   56.616   8.0102   66.667   12.818   90.119   6.5591   96.122   9.8405 -6.002563 11.82611 
1 1 1  -45    6   20 o  105.757   5.8461   80.739   7.5057   82.864   8.9220   75.593   13.883  109.268   6.0254  102.246   10.020 7.022514 11.69216 
1 1 1  -45    6   21 o   63.091   6.9706   25.250   5.4816   20.438   6.3981   38.531   10.629   53.548   8.8171   72.633   10.799 -19.08483 13.94113 
1 1 1  -45    6   22 f   51.005   8.4541   19.728   5.3095   19.554   6.2561   20.177   10.039   51.591   9.2901   50.418   14.127 1.173225 16.90817 
1 1 1  -45    6   23 o   45.150   8.9569   15.738   5.3748   16.003   6.3321   15.054   10.166   46.162   10.375   44.138   14.604 2.024178 17.91376 
1 1 1  -45    6   24 o   39.301   11.245   11.680   6.2919   11.680   6.2919   0.0000   0.0000   39.301   11.245  ?   ?       ?      ? 
1 1 1  -45    6   25 o  116.502   7.3070   95.250   11.536   95.250   11.536   0.0000   0.0000  116.502   7.3070  ?   ?       ?      ? 
1 1 1  -45    6   26 o   97.708   6.9914   68.696   9.2416   64.205   12.663   73.815   13.518   94.288   9.9103  101.128   9.8645 -6.839699 13.98289 
1 1 1  -45    6   27 o   73.943   8.3544   41.171   8.1088   44.804   11.201   37.169   11.755   78.442   10.537   69.445   12.967 8.996208 16.70875 
1 1 1  -45    6   28 o  162.364   5.4284  184.621   10.860  183.074   12.908  188.366   20.090  162.502   5.8615  162.225   9.1386 0.2774506 10.85686 
1 1 1  -45    6   29 o  198.270   5.4056  272.834   13.050  267.643   15.349  286.379   24.791  196.547   5.7626  199.992   9.1473 -3.445145 10.81112 
1 1 1  -45    6   30 o  128.469   5.7999  119.642   9.0868  123.670   10.856  110.217   16.608  133.472   6.0019  123.465   9.9264 10.00770 11.59983 
1 1 1  -45    6   31 o   50.410   8.6244   21.040   5.8643   24.648   7.0949   13.260   10.419   58.736   8.9137   42.084   14.767 16.65207 17.24889 
1 1 1  -45    6   32 o  109.311   6.0848   87.279   8.1684   90.819   9.8278   79.368   14.690  114.199   6.3506  104.422   10.381 9.776405 12.16955 
1 1 1  -45    6   33 o   79.960   7.0970   47.894   6.9431   50.501   8.3804   42.188   12.398   84.782   7.2942   75.138   12.176 9.643448 14.19406 
1 1 1  -45    6   34 o   93.631   6.2364   60.375   7.3575   56.695   8.7971   68.940   13.421   89.849   7.2251   97.412   10.167 -7.562874 12.47280 
1 1 1  -45    6   35 o  124.839   6.4536  113.310   10.695  121.822   14.172  102.050   16.300  131.181   7.9723  118.497   10.151 12.68388 12.90728 
1 1 1  -45    6   36 o   85.793   6.8921   53.930   7.4352   55.319   9.0761   51.097   12.965   88.575   7.5615   83.010   11.525 5.564980 13.78419 
1 1 1  -45    6   37 o  140.598   5.6865  140.921   9.8639  142.154   11.793  138.050   17.996  142.958   6.0875  138.237   9.6067 4.720062 11.37304 
1 1 1  -45    6   38 o  119.790   5.9812  103.530   8.8952  105.691   10.723   98.762   15.927  123.066   6.4301  116.515   10.087 6.551216 11.96244 
1 1 1  -45    6   39 o   91.176   6.4923   57.935   7.5353   54.512   9.0992   65.406   13.443   87.837   7.6443   94.515   10.496 -6.677979 12.98465 
1 1 1  -45    6   40 o  117.025   5.2396   95.844   8.2746  104.614   12.414   88.832   11.100  121.735   7.5249  112.314   7.2932 9.420982 10.47920 
1 1 1  -45    6   41 o  104.646   7.0733   83.756   9.3890   97.239   12.113   63.460   14.861  117.277   7.6215   92.015   11.918 25.26177 14.14669 
1 1 1  -45    6   42 o  116.796   6.4846   98.256   9.9208   98.148   12.552   98.437   16.194  117.628   7.8745  115.964   10.305 1.663666 12.96919 
1 1 1  -45    6   43 o   86.617   8.0178   58.890   8.4984   67.015   10.840   45.928   13.690   96.959   8.2499   76.276   13.751 20.68324 16.03554 
1 1 1  -45    6   44 o   45.307   9.7402   14.322   6.7988   7.1546   8.6498   25.908   10.998   34.136   13.183   56.478   14.342 -22.34176 19.48047 
1 1 1  -45    6   45 o  110.452   6.5209   85.049   9.5302   74.410   11.999  103.226   15.684  101.813   8.6971  119.090   9.7186 -17.27702 13.04186 
1 1 1  -45    6   46 o  124.339   6.2787  109.488   10.349  102.793   13.172  120.287   16.730  120.076   8.0950  128.602   9.5998 -8.526230 12.55731 
1 1 1  -45    6   47 o  130.544   6.1659  119.996   10.647  111.276   13.468  134.525   17.384  124.993   7.9511  136.095   9.4261 -11.10201 12.33171 
1 1 1  -45    6   48 o  135.049   6.4280  134.857   11.297  145.019   14.514  119.238   17.994  143.032   7.4881  127.066   10.450 15.96605 12.85599 
1 1 1  -45    6   49 o  114.471   6.6939   95.433   10.074   95.406   12.824   95.478   16.280  115.452   8.1965  113.490   10.585 1.961891 13.38781 
1 1 1  -45    6   50 o  110.390   6.8371   87.742   9.9929   82.626   12.700   96.060   16.193  106.967   8.7611  113.814   10.499 -6.847351 13.67415 
1 1 1  -45    6   51 o  140.701   7.5147  147.093   14.281  151.329   21.173  143.558   19.343  142.111   10.994  139.292   10.247 2.818466 15.02938 
1 1 1  -45    6   52 o   74.140   10.567   45.466   10.186   46.267   15.368   44.838   13.602   73.914   15.821   74.366   14.012 -0.4514999 21.13340 
1 1 1  -45    6   53 o   40.129   10.920   11.796   8.4510   9.0372   12.592   14.057   11.400   38.152   15.520   42.106   15.365 -3.954224 21.83966 
1 1 1  -45    6   54 o   72.309   10.460   45.086   10.029   29.954   14.742   58.123   13.684   57.365   17.427   87.253   11.573 -29.88823 20.91963 
1 1 1  -45    6   55 o   90.585   8.8756   63.898   10.823   66.270   16.347   62.047   14.442   91.446   13.191   89.723   11.878 1.723061 17.75111 
1 1 1  -45    6   56 o   81.694   13.600   53.628   15.056   53.628   15.056   0.0000   0.0000   81.694   13.600  ?   ?       ?      ? 
1 1 1  -45    6   57 f   70.018   16.107   43.141   14.965   43.141   14.965   0.0000   0.0000   70.018   16.107  ?   ?       ?      ? 
1 1 1  -45    6   58 o  119.103   8.3505  111.286   13.327  100.102   19.491  121.106   18.263  112.027   12.839  126.179   10.681 -14.15274 16.70105 
1 1 1  -45    6   59 o  122.470   8.1784  117.224   13.472  104.596   19.267  129.305   18.845  114.827   12.382  130.113   10.688 -15.28609 16.35686 
1 1 1  -45    6   60 o   32.630   9.9447   0.8138   8.5164  -8.9696   11.653   12.030   12.477   25.844   12.275   39.416   15.650 -13.57285 19.88945 
1 1 1  -45    6   61 o   43.880   10.492   12.121   9.0145  -4.1939   12.054   32.824   13.579   28.359   13.150   59.400   16.352 -31.04079 20.98352 
1 1 1  -45    6   62 o   94.113   9.7333   73.671   11.841   57.053   16.109   93.200   17.464   80.188   15.384  108.037   11.928 -27.84957 19.46662 
1 1 1  -45    6   63 o   89.308   9.4377   66.611   11.417   65.371   15.859   67.943   16.448   88.625   13.205   89.991   13.487 -1.365791 18.87536 
1 1 1  -45    6   64 o   91.913   10.138   72.113   11.896   51.520   15.981   97.697   17.813   74.043   16.363  109.784   11.973 -35.74155 20.27612 
1 1 1  -45    6   65 o  116.502   12.234  111.712   19.315   0.0000   0.0000  111.712   19.315  ?   ?   116.502   12.234      ?      ? 
1 1 1  -45    6   66 o  101.724   13.204   88.517   18.202   0.0000   0.0000   88.517   18.202  ?   ?   101.724   13.204      ?      ? 
1 1 1  -45    6   67 o   52.638   17.741   30.564   14.993   0.0000   0.0000   30.564   14.993  ?   ?    52.638   17.741      ?      ? 
1 1 1  -45    6   68 o   51.323   17.439   29.317   14.488   0.0000   0.0000   29.317   14.488  ?   ?    51.323   17.439      ?      ? 
1 1 1  -45    7    1 o   67.358   9.9270   33.236   9.0613   33.236   9.0613   0.0000   0.0000   67.358   9.9270  ?   ?       ?      ? 
1 1 1  -45    7    2 o   72.555   9.7556   38.423   9.5919   38.423   9.5919   0.0000   0.0000   72.555   9.7556  ?   ?       ?      ? 
1 1 1  -45    7    3 o  112.266   7.8782   89.642   11.986   89.642   11.986   0.0000   0.0000  112.266   7.8782  ?   ?       ?      ? 
1 1 1  -45    7    4 o   84.449   8.9725   51.399   10.268   51.399   10.268   0.0000   0.0000   84.449   8.9725  ?   ?       ?      ? 
1 1 1  -45    7    5 o   64.222   10.431   30.327   9.0781   30.327   9.0781   0.0000   0.0000   64.222   10.431  ?   ?       ?      ? 
1 1 1  -45    7    6 o  146.733   7.3087  151.921   14.533  151.921   14.533   0.0000   0.0000  146.733   7.3087  ?   ?       ?      ? 
1 1 1  -45    7    7 o  233.340   7.2934  383.966   23.062  383.966   23.062   0.0000   0.0000  233.340   7.2934  ?   ?       ?      ? 
1 1 1  -45    7    8 o  122.708   7.9041  106.869   13.143  106.869   13.143   0.0000   0.0000  122.708   7.9041  ?   ?       ?      ? 
1 1 1  -45    7    9 o  110.796   8.0679   87.259   12.113   87.259   12.113   0.0000   0.0000  110.796   8.0679  ?   ?       ?      ? 
1 1 1  -45    7   10 o  142.324   7.4753  142.985   14.417  142.985   14.417   0.0000   0.0000  142.324   7.4753  ?   ?       ?      ? 
1 1 1  -45    7   11 o  138.480   7.5263  135.400   14.124  135.400   14.124   0.0000   0.0000  138.480   7.5263  ?   ?       ?      ? 
1 1 1  -45    7   12 o  119.863   11.339  106.573   18.418  106.573   18.418   0.0000   0.0000  119.863   11.339  ?   ?       ?      ? 
1 1 1  -45    7   13 o   51.308   16.509   21.905   13.036   21.905   13.036   0.0000   0.0000   51.308   16.509  ?   ?       ?      ? 
1 1 1  -45    7   14 o  109.288   11.774   89.104   17.438   89.104   17.438   0.0000   0.0000  109.288   11.774  ?   ?       ?      ? 
1 1 1  -45    7   15 o   76.754   14.827   47.193   14.864   47.193   14.864   0.0000   0.0000   76.754   14.827  ?   ?       ?      ? 
1 1 1  -45    7   16 o   80.050   14.570   50.949   15.223   50.949   15.223   0.0000   0.0000   80.050   14.570  ?   ?       ?      ? 
1 1 1  -45    7   17 o   92.046   12.564   63.922   15.671   63.922   15.671   0.0000   0.0000   92.046   12.564  ?   ?       ?      ? 
1 1 1  -45    7   18 o   87.640   13.319   58.660   15.818   58.660   15.818   0.0000   0.0000   87.640   13.319  ?   ?       ?      ? 
1 1 1  -45    7   19 o   94.686   5.8909   63.887   6.8116   64.091   8.0772   63.384   12.675   95.942   6.2125   93.430   10.011 2.511955 11.78174 
1 1 1  -45    7   20 o   66.101   8.4010   32.576   7.3159   27.206   9.8227   39.266   10.964   59.208   12.628   72.994   11.084 -13.78576 16.80195 
1 1 1  -45    7   21 o   50.040   9.7027   19.835   6.7864   17.900   9.3712   21.968   9.8408   47.508   13.762   52.572   13.681 -5.064236 19.40534 
1 1 1  -45    7   22 o   78.944   7.3337   45.671   7.7875   47.845   10.586   43.108   11.497   81.405   9.5959   76.483   11.093 4.922188 14.66731 
1 1 1  -45    7   23 o   73.145   7.9284   39.381   7.5524   30.923   10.156   49.848   11.297   63.452   12.254   82.838   10.063 -19.38543 15.85685 
1 1 1  -45    7   24 o   57.881   8.1467   27.129   5.6904   30.056   6.8330   20.506   10.279   65.228   7.7303   50.533   14.343 14.69495 16.29345 
1 1 1  -45    7   25 o   82.466   6.9752   52.774   6.7016   57.457   7.9585   41.360   12.425   90.740   6.4722   74.191   12.358 16.54916 13.95043 
1 1 1  -45    7   26 o   94.462   6.6029   62.345   8.4523   62.345   8.4523   0.0000   0.0000   94.462   6.6029  ?   ?       ?      ? 
1 1 1  -45    7   27 o   91.396   6.6431   58.390   8.2277   58.390   8.2277   0.0000   0.0000   91.396   6.6431  ?   ?       ?      ? 
1 1 1  -45    7   28 o   71.230   8.5334   43.982   6.6290   50.421   7.8090   27.374   12.542   84.869   6.7899   57.591   15.658 27.27775 17.06684 
1 1 1  -45    7   29 o   90.492   6.5979   60.492   7.1617   62.593   8.4833   55.279   13.361   94.631   6.6153   86.353   11.418 8.278259 13.19586 
1 1 1  -45    7   30 o   60.185   8.5336   28.527   6.1701   29.939   7.3286   25.091   11.434   64.858   8.3383   55.512   14.892 9.345596 17.06716 
1 1 1  -45    7   31 o   83.595   7.5893   55.042   7.1483   59.514   8.4790   44.053   13.291   92.185   6.7874   75.005   13.576 17.18033 15.17859 
1 1 1  -45    7   32 o   50.354   8.2759   23.068   6.0856   30.805   7.3046   5.5137   11.003   65.829   8.1883   34.879   14.385 30.95037 16.55187 
1 1 1  -45    7   33 o  128.671   5.5304  108.474   8.8658   96.351   10.412  140.453   16.910  117.409   6.5438  139.932   8.9175 -22.52261 11.06086 
1 1 1  -45    7   34 o  132.336   5.7694  124.713   9.4354  125.055   11.278  123.916   17.224  133.948   6.2132  130.724   9.7232 3.224625 11.53878 
1 1 1  -45    7   35 o  141.718   5.6469  142.022   9.9259  141.222   11.868  143.886   18.106  142.368   6.1516  141.068   9.4715 1.300079 11.29384 
1 1 1  -45    7   36 o   99.459   7.0684   72.261   9.4250   73.563   12.548   70.576   14.277  101.046   9.1634   97.872   10.765 3.174377 14.13683 
1 1 1  -45    7   37 o  133.039   6.4917  129.867   11.433  143.279   15.237  112.585   17.296  142.072   7.9142  124.005   10.292 18.06761 12.98343 
1 1 1  -45    7   38 o  206.785   5.9382  305.796   16.057  307.136   20.288  303.550   26.270  208.831   7.1692  204.739   9.4684 4.091660 11.87637 
1 1 1  -45    7   39 o  126.941   6.2413  117.337   10.378  122.978   13.321  108.630   16.552  131.913   7.4520  121.969   10.014 9.944626 12.48258 
1 1 1  -45    7   40 f   41.503   9.9902   12.889   6.6308   10.736   8.5525   16.132   10.499   38.116   13.379   44.890   14.840 -6.773247 19.98044 
1 1 1  -45    7   41 o   92.918   6.8756   59.654   8.4262   48.623   10.558   79.003   13.984   81.829   9.5215  104.007   9.9216 -22.17823 13.75122 
1 1 1  -45    7   42 o  103.125   8.2105   75.949   11.474   75.949   11.474   0.0000   0.0000  103.125   8.2105  ?   ?       ?      ? 
1 1 1  -45    7   43 o   35.329   13.342   8.3097   8.7318   8.3097   8.7318   0.0000   0.0000   35.329   13.342  ?   ?       ?      ? 
1 1 1  -45    7   44 o   64.219   9.0352   32.054   7.4000   30.806   9.3801   34.110   12.042   63.482   11.319   64.955   14.086 -1.472771 18.07041 
1 1 1  -45    7   45 o   54.444   9.9275   24.292   7.3018   24.873   9.4417   23.427   11.518   56.023   12.726   52.865   15.240 3.158390 19.85505 
1 1 1  -45    7   46 o   57.020   9.5547   24.690   7.2937   17.003   9.2979   36.989   11.761   45.790   13.824   68.249   13.193 -22.45873 19.10932 
1 1 1  -45    7   47 f   38.279   8.8529   5.8497   6.4238  -5.4114   8.2388   23.312   10.259   23.265   10.816   53.294   14.018 -30.02857 17.70585 
1 1 1  -45    7   48 o   54.550   10.760   23.505   8.8123   39.128   13.632   12.290   11.550   68.507   15.092   40.593   15.341 27.91336 21.52022 
1 1 1  -45    7   49 o   65.751   10.472   36.072   9.0495   35.408   13.742   36.580   12.025   64.266   15.873   67.235   13.664 -2.969070 20.94399 
1 1 1  -45    7   50 o   74.010   9.9360   44.508   9.5703   46.543   14.211   42.819   12.946   75.217   14.467   72.803   13.623 2.414215 19.87200 
1 1 1  -45    7   51 o   49.127   15.588   20.786   11.653   0.0000   0.0000   20.786   11.653  ?   ?    49.127   15.588      ?      ? 
1 1 1  -45    7   52 o   84.057   12.265   54.901   13.970   0.0000   0.0000   54.901   13.970  ?   ?    84.057   12.265      ?      ? 
1 1 1  -45    7   53 o   62.355   10.921   34.595   9.3436   26.824   14.102   40.676   12.475   54.111   17.145   70.600   13.532 -16.48854 21.84187 
1 1 1  -45    7   54 o   48.764   11.456   21.022   8.8239   23.331   13.090   19.100   11.946   50.797   16.559   46.731   15.836 4.066242 22.91246 
1 1 1  -45    7   55 f   59.555   11.577   31.860   9.6130   35.225   14.272   29.065   13.005   62.293   16.605   56.817   16.136 5.475906 23.15405 
1 1 1  -45    7   56 o   74.658   10.832   48.343   10.569   47.386   15.478   49.179   14.467   73.113   16.061   76.204   14.540 -3.091560 21.66462 
1 1 1  -45    7   57 o   49.425   16.944   22.926   13.679   22.926   13.679   0.0000   0.0000   49.425   16.944  ?   ?       ?      ? 
1 1 1  -45    7   58 o   55.745   10.711   25.359   9.6898   7.5241   12.754   49.712   14.903   35.973   15.205   75.516   15.091 -39.54335 21.42231 
1 1 1  -45    7   59 o   36.901   10.278   5.1975   8.7272  -8.8151   11.910   21.445   12.825   26.064   12.389   47.738   16.404 -21.67404 20.55670 
1 1 1  -45    7   60 o   95.094   9.3779   74.743   12.042   67.151   16.562   83.259   17.542   89.455   13.662  100.732   12.850 -11.27721 18.75589 
1 1 1  -45    7   61 o  108.739   8.9631   96.984   13.044   80.506   18.069  114.917   18.849   97.543   13.669  119.935   11.597 -22.39159 17.92615 
1 1 1  -45    7   62 o   33.296   10.274   4.4204   8.9827   9.6173   12.293  -1.5329   13.158   36.389   15.122   30.204   13.911 6.185158 20.54723 
1 1 1  -45    7   63 o   72.659   11.441   50.109   10.978   51.578   15.590   48.664   15.461   74.001   16.012   71.318   16.347 2.682800 22.88231 
1 1 1  -45    7   64 o   84.341   10.604   64.806   11.872   66.546   16.833   63.083   16.745   86.452   14.369   82.231   15.598 4.220718 21.20711 
1 1 1  -45    7   65 o   42.656   16.710   18.731   14.052   0.0000   0.0000   18.731   14.052  ?   ?    42.656   16.710      ?      ? 
1 1 1  -45    7   66 o   98.115   13.367   84.760   17.773   0.0000   0.0000   84.760   17.773  ?   ?    98.115   13.367      ?      ? 
1 1 1  -45    8    1 o   91.685   8.2228   60.409   10.216   60.409   10.216   0.0000   0.0000   91.685   8.2228  ?   ?       ?      ? 
1 1 1  -45    8    2 o   26.465   11.439   0.7881   7.5151   0.7881   7.5151   0.0000   0.0000   26.465   11.439  ?   ?       ?      ? 
1 1 1  -45    8    3 f   33.983   12.785   7.7138   8.0008   7.7138   8.0008   0.0000   0.0000   33.983   12.785  ?   ?       ?      ? 
1 1 1  -45    8    4 o   69.778   10.018   35.818   9.4730   35.818   9.4730   0.0000   0.0000   69.778   10.018  ?   ?       ?      ? 
1 1 1  -45    8    5 o   67.247   10.031   33.237   9.1410   33.237   9.1410   0.0000   0.0000   67.247   10.031  ?   ?       ?      ? 
1 1 1  -45    8    6 f   51.978   12.412   21.326   8.6217   21.326   8.6217   0.0000   0.0000   51.978   12.412  ?   ?       ?      ? 
1 1 1  -45    8    7 o   30.645   12.310   4.7002   7.8119   4.7002   7.8119   0.0000   0.0000   30.645   12.310  ?   ?       ?      ? 
1 1 1  -45    8    8 o   78.769   9.0672   44.853   9.6786   44.853   9.6786   0.0000   0.0000   78.769   9.0672  ?   ?       ?      ? 
1 1 1  -45    8    9 o   57.400   11.979   25.582   9.0168   25.582   9.0168   0.0000   0.0000   57.400   11.979  ?   ?       ?      ? 
1 1 1  -45    8   10 f   83.493   8.9139   50.233   10.086   50.233   10.086   0.0000   0.0000   83.493   8.9139  ?   ?       ?      ? 
1 1 1  -45    8   11 o  144.933   7.4114  148.525   14.556  148.525   14.556   0.0000   0.0000  144.933   7.4114  ?   ?       ?      ? 
1 1 1  -45    8   12 o  126.941   7.7385  114.333   13.312  114.333   13.312   0.0000   0.0000  126.941   7.7385  ?   ?       ?      ? 
1 1 1  -45    8   13 o   37.881   13.262   10.593   8.4005   10.593   8.4005   0.0000   0.0000   37.881   13.262  ?   ?       ?      ? 
1 1 1  -45    8   14 o   95.912   8.5870   65.910   11.161   65.910   11.161   0.0000   0.0000   95.912   8.5870  ?   ?       ?      ? 
1 1 1  -45    8   15 o  170.006   7.4647  204.288   17.197  204.288   17.197   0.0000   0.0000  170.006   7.4647  ?   ?       ?      ? 
1 1 1  -45    8   17 o   48.548   13.939   18.962   9.6523   18.962   9.6523   0.0000   0.0000   48.548   13.939  ?   ?       ?      ? 
1 1 1  -45    8   20 o  117.718   8.2992   98.831   13.239   98.831   13.239   0.0000   0.0000  117.718   8.2992  ?   ?       ?      ? 
1 1 1  -45    8   21 o  145.156   7.7100  149.236   15.166  149.236   15.166   0.0000   0.0000  145.156   7.7100  ?   ?       ?      ? 
1 1 1  -45    8   22 o   82.368   9.5349   49.154   10.643   49.154   10.643   0.0000   0.0000   82.368   9.5349  ?   ?       ?      ? 
1 1 1  -45    8   23 o   97.180   8.8472   67.806   11.651   67.806   11.651   0.0000   0.0000   97.180   8.8472  ?   ?       ?      ? 
1 1 1  -45    8   24 o  136.851   5.7894  141.802   9.4756  154.604   11.395  113.113   17.059  149.259   5.6338  124.442   10.116 24.81720 11.57875 
1 1 1  -45    8   25 o  126.743   5.3985  111.165   8.5087  107.416   10.122  120.196   15.710  124.206   6.0135  129.280   8.9674 -5.073891 10.79708 
1 1 1  -45    8   26 o  129.439   5.4965  119.168   8.7750  119.821   10.480  117.636   16.051  131.251   5.8921  127.628   9.2805 3.623260 10.99290 
1 1 1  -45    8   27 o  120.358   5.7683  104.385   8.5046  106.257   10.147   99.966   15.590  123.501   6.0632  117.215   9.8149 6.285721 11.53663 
1 1 1  -45    8   28 o   67.737   7.9526   32.600   7.2999   32.600   7.2999   0.0000   0.0000   67.737   7.9526  ?   ?       ?      ? 
1 1 1  -45    8   29 o  118.289   5.5663   94.945   8.2787   88.051   9.8563  111.459   15.255  112.192   6.4829  124.386   9.0502 -12.19496 11.13260 
1 1 1  -45    8   30 o  157.708   5.4424  174.606   10.598  172.241   12.603  180.315   19.580  157.322   5.9116  158.095   9.1395 -0.7729950 10.88473 
1 1 1  -45    8   31 o   81.782   7.2545   49.359   7.7270   50.407   9.7727   47.611   12.621   83.870   8.5985   79.693   11.687 4.177055 14.50898 
1 1 1  -45    8   32 o   33.088   9.1871   6.0508   5.9013   4.8060   7.5570   7.9963   9.4472   30.561   12.165   35.615   13.770 -5.053440 18.37412 
1 1 1  -45    8   33 o  135.102   5.9957  130.975   10.606  131.965   13.439  129.340   17.271  136.753   7.2519  133.451   9.5500 3.302322 11.99139 
1 1 1  -45    8   34 o  133.241   6.0490  125.515   10.569  120.435   13.262  134.355   17.496  130.442   7.5027  136.041   9.4907 -5.598557 12.09807 
1 1 1  -45    8   35 o   82.129   7.4080   49.498   7.9593   48.898   10.034   50.518   13.072   82.332   8.9931   81.927   11.774 0.4049225 14.81594 
1 1 1  -45    8   36 o   73.210   8.5700   43.743   7.6821   52.848   9.9396   30.234   12.106   85.825   8.5461   60.594   14.858 25.23114 17.14009 
1 1 1  -45    8   37 o   55.406   10.778   24.604   8.3082   32.656   13.147   19.250   10.720   62.446   15.586   48.365   14.892 14.08120 21.55668 
1 1 1  -45    8   38 o   55.389   10.408   26.603   8.3406   16.764   13.070   33.362   10.833   45.581   16.480   65.197   12.718 -19.61668 20.81666 
1 1 1  -45    8   39 o   44.641   9.6526   16.315   6.6367   20.196   8.6891   10.880   10.282   50.395   12.722   38.888   14.520 11.50679 19.30518 
1 1 1  -45    8   40 o   58.476   9.2332   25.926   7.0432   20.062   8.9503   35.463   11.414   50.013   13.063   66.939   13.052 -16.92538 18.46636 
1 1 1  -45    8   41 o   65.069   9.0446   34.234   7.5683   38.372   9.7802   28.055   11.949   72.238   9.9907   57.899   15.080 14.33925 18.08918 
1 1 1  -45    8   42 o   42.565   10.097   13.925   6.7190   11.693   8.5239   17.588   10.919   39.003   13.375   46.128   15.128 -7.124813 20.19336 
1 1 1  -45    8   43 o   42.198   15.912   13.662   12.407   13.662   12.407   0.0000   0.0000   42.198   15.912  ?   ?       ?      ? 
1 1 1  -45    8   44 o   75.725   10.007   47.693   9.8110   30.988   14.019   63.729   13.735   59.340   16.718   92.109   11.004 -32.76876 20.01472 
1 1 1  -45    8   45 o   59.329   10.873   29.366   9.1023   41.393   13.623   19.667   12.234   70.700   14.698   47.959   16.026 22.74098 21.74581 
1 1 1  -45    8   46 o   30.764   9.5938   0.4362   7.9004  -3.2910   11.758   3.5036   10.667   29.212   13.340   32.317   13.792 -3.104628 19.18760 
1 1 1  -45    8   47 o   52.566   11.238   22.964   8.8520   33.139   13.723   15.713   11.584   61.474   16.233   43.659   15.546 17.81444 22.47642 
1 1 1  -45    8   48 o   72.158   10.596   43.357   9.9883   49.755   15.013   38.276   13.379   77.093   14.910   67.223   15.060 9.869865 21.19231 
1 1 1  -45    8   49 o   78.648   10.035   50.073   10.415   58.841   15.691   43.167   13.925   85.705   13.511   71.591   14.840 14.11412 20.06920 
1 1 1  -45    8   50 o   48.387   11.455   20.788   8.8815   18.855   12.850   22.556   12.290   46.384   16.388   50.390   16.010 -4.006390 22.91069 
1 1 1  -45    8   51 o   56.433   11.588   28.578   9.4139   33.337   13.898   24.543   12.797   60.759   16.468   52.108   16.309 8.651348 23.17657 
1 1 1  -45    8   52 o   74.285   14.670   46.818   14.244   0.0000   0.0000   46.818   14.244  ?   ?    74.285   14.670      ?      ? 
1 1 1  -45    8   53 o   71.964   10.560   44.455   10.155   35.336   14.175   54.069   14.555   62.121   16.544   81.807   13.129 -19.68646 21.12020 
1 1 1  -45    8   54 o   49.899   11.521   23.011   9.0574   26.364   12.714   19.555   12.906   53.499   16.169   46.298   16.417 7.200684 23.04240 
1 1 1  -45    8   55 o   55.787   10.616   27.075   9.3117   11.180   12.702   45.541   13.691   38.643   15.636   72.931   14.364 -34.28821 21.23208 
1 1 1  -45    8   56 o   53.094   11.412   26.088   9.5101   15.969   13.148   37.190   13.772   42.501   16.294   63.686   15.983 -21.18498 22.82491 
1 1 1  -45    8   57 o   43.266   16.032   17.072   12.486   17.072   12.486   0.0000   0.0000   43.266   16.032  ?   ?       ?      ? 
1 1 1  -45    8   58 o   40.794   15.829   14.624   12.517   14.624   12.517   0.0000   0.0000   40.794   15.829  ?   ?       ?      ? 
1 1 1  -45    8   59 o   52.626   11.985   27.495   9.9378   20.692   13.608   35.270   14.547   45.770   16.774   59.482   17.122 -13.71194 23.96982 
1 1 1  -45    8   60 o   40.280   11.517   14.484   9.7109   13.185   13.202   16.016   14.335   39.143   15.904   41.418   16.662 -2.275112 23.03405 
1 1 1  -45    8   61 o   75.458   11.106   53.613   11.188   45.487   15.918   61.545   15.726   66.890   17.397   84.025   13.812 -17.13430 22.21297 
1 1 1  -45    8   62 o   28.821   9.4227  -1.9755   8.6860  -5.1799   12.096   1.4365   12.481   27.039   12.742   30.603   13.885 -3.563700 18.84549 
1 1 1  -45    8   63 o   31.045   9.9017   1.7675   8.9443  -3.6948   12.412   7.6678   12.900   27.820   13.045   34.270   14.899 -6.450476 19.80333 
1 1 1  -45    9    1 o   73.301   9.8249   39.924   9.7594   39.924   9.7594   0.0000   0.0000   73.301   9.8249  ?   ?       ?      ? 
1 1 1  -45    9    2 o   92.745   8.4666   62.383   10.641   62.383   10.641   0.0000   0.0000   92.745   8.4666  ?   ?       ?      ? 
1 1 1  -45    9    3 f   61.555   11.103   29.296   8.9208   29.296   8.9208   0.0000   0.0000   61.555   11.103  ?   ?       ?      ? 
1 1 1  -45    9    4 o   37.340   12.897   10.693   7.9314   10.693   7.9314   0.0000   0.0000   37.340   12.897  ?   ?       ?      ? 
1 1 1  -45    9    5 o   37.929   12.936   11.109   7.9723   11.109   7.9723   0.0000   0.0000   37.929   12.936  ?   ?       ?      ? 
1 1 1  -45    9    6 o   94.629   8.3155   64.527   10.663   64.527   10.663   0.0000   0.0000   94.629   8.3155  ?   ?       ?      ? 
1 1 1  -45    9    7 o   91.557   8.5820   60.588   10.648   60.588   10.648   0.0000   0.0000   91.557   8.5820  ?   ?       ?      ? 
1 1 1  -45    9    8 o  100.664   8.0937   72.683   11.041   72.683   11.041   0.0000   0.0000  100.664   8.0937  ?   ?       ?      ? 
1 1 1  -45    9    9 o   80.544   9.0666   47.150   9.8959   47.150   9.8959   0.0000   0.0000   80.544   9.0666  ?   ?       ?      ? 
1 1 1  -45    9   10 o  110.075   8.0428   86.742   11.997   86.742   11.997   0.0000   0.0000  110.075   8.0428  ?   ?       ?      ? 
1 1 1  -45    9   11 o   61.692   11.488   29.359   9.2505   29.359   9.2505   0.0000   0.0000   61.692   11.488  ?   ?       ?      ? 
1 1 1  -45    9   12 o   37.681   12.917   10.751   7.9495   10.751   7.9495   0.0000   0.0000   37.681   12.917  ?   ?       ?      ? 
1 1 1  -45    9   13 o   83.193   8.8951   50.057   10.028   50.057   10.028   0.0000   0.0000   83.193   8.8951  ?   ?       ?      ? 
1 1 1  -45    9   16 o   52.077   12.979   21.673   9.1269   21.673   9.1269   0.0000   0.0000   52.077   12.979  ?   ?       ?      ? 
1 1 1  -45    9   17 o   56.595   12.413   25.190   9.2584   25.190   9.2584   0.0000   0.0000   56.595   12.413  ?   ?       ?      ? 
1 1 1  -45    9   18 o   79.815   9.6856   46.524   10.476   46.524   10.476   0.0000   0.0000   79.815   9.6856  ?   ?       ?      ? 
1 1 1  -45    9   19 o   85.082   9.3352   52.585   10.763   52.585   10.763   0.0000   0.0000   85.082   9.3352  ?   ?       ?      ? 
1 1 1  -45    9   20 o   99.202   8.5563   70.711   11.502   70.711   11.502   0.0000   0.0000   99.202   8.5563  ?   ?       ?      ? 
1 1 1  -45    9   21 o   75.542   14.882   46.593   14.693   46.593   14.693   0.0000   0.0000   75.542   14.882  ?   ?       ?      ? 
1 1 1  -45    9   22 o   51.390   16.617   22.596   13.194   22.596   13.194   0.0000   0.0000   51.390   16.617  ?   ?       ?      ? 
1 1 1  -45    9   23 o   64.449   16.265   35.379   14.206   35.379   14.206   0.0000   0.0000   64.449   16.265  ?   ?       ?      ? 
1 1 1  -45    9   24 o   43.380   16.539   14.229   13.499   14.229   13.499   0.0000   0.0000   43.380   16.539  ?   ?       ?      ? 
1 1 1  -45    9   25 o  114.000   11.866   98.296   18.332   98.296   18.332   0.0000   0.0000  114.000   11.866  ?   ?       ?      ? 
1 1 1  -45    9   26 o   69.497   15.895   40.589   14.644   40.589   14.644   0.0000   0.0000   69.497   15.895  ?   ?       ?      ? 
1 1 1  -45    9   27 o   64.189   16.606   35.451   14.554   35.451   14.554   0.0000   0.0000   64.189   16.606  ?   ?       ?      ? 
1 1 1  -45    9   28 o   75.791   15.069   47.155   14.931   47.155   14.931   0.0000   0.0000   75.791   15.069  ?   ?       ?      ? 
1 1 1  -45    9   29 o   59.469   16.236   30.310   13.451   30.310   13.451   0.0000   0.0000   59.469   16.236  ?   ?       ?      ? 
1 1 1  -45    9   30 o   95.068   8.0786   64.600   10.408   64.600   10.408   0.0000   0.0000   95.068   8.0786  ?   ?       ?      ? 
1 1 1  -45    9   31 o   64.893   8.4032   31.589   6.9960   29.445   8.7666   35.348   11.609   63.178   10.240   66.609   13.327 -3.430843 16.80634 
1 1 1  -45    9   32 o   70.558   8.1226   34.793   7.1716   20.568   8.9734   59.943   11.932   50.639   13.008   90.476   9.7317 -39.83719 16.24520 
1 1 1  -45    9   33 o   42.294   8.5353   8.9620   6.1946  -2.2881   7.7554   28.790   10.296   24.486   11.043   60.103   13.018 -35.61665 17.07067 
1 1 1  -45    9   34 o   86.173   7.0035   53.527   7.9817   49.883   10.107   59.567   13.012   82.946   8.9914   89.400   10.740 -6.453781 14.00692 
1 1 1  -45    9   35 o   94.588   6.7697   62.656   8.3836   55.147   10.369   76.831   14.246   87.331   8.7619  101.845   10.322 -14.51434 13.53941 
1 1 1  -45    9   36 o   69.590   8.4976   37.123   7.5161   36.454   9.4327   38.287   12.439   70.368   9.8919   68.812   13.820 1.555954 16.99524 
1 1 1  -45    9   37 o   92.692   8.3225   65.429   10.441   65.476   15.125   65.387   14.432   92.458   12.071   92.926   11.460 -0.4680786 16.64505 
1 1 1  -45    9   38 o  117.509   10.294  102.543   16.392   0.0000   0.0000  102.543   16.392  ?   ?   117.509   10.294      ?      ? 
1 1 1  -45    9   39 o   76.741   9.7751   47.484   9.8740   44.968   14.528   49.644   13.461   73.357   15.117   80.126   12.397 -6.769310 19.55019 
1 1 1  -45    9   40 o   46.120   10.639   17.445   8.2269   8.8102   11.855   25.467   11.426   37.462   15.124   54.778   14.967 -17.31573 21.27786 
1 1 1  -45    9   41 o   59.385   10.057   29.903   8.7336   16.105   12.543   42.888   12.168   44.166   16.117   74.605   12.036 -30.43970 20.11498 
1 1 1  -45    9   42 f   76.210   9.7669   47.714   9.6806   39.509   14.204   54.830   13.229   67.724   15.771   84.697   11.526 -16.97292 19.53374 
1 1 1  -45    9   43 o   79.701   14.412   52.521   14.993   52.521   14.993   0.0000   0.0000   79.701   14.412  ?   ?       ?      ? 
1 1 1  -45    9   44 o   88.581   13.018   62.190   15.627   62.190   15.627   0.0000   0.0000   88.581   13.018  ?   ?       ?      ? 
1 1 1  -45    9   45 o  117.955   7.8757  106.540   12.524  101.583   18.309  110.900   17.170  114.563   11.794  121.347   10.441 -6.783577 15.75148 
1 1 1  -45    9   46 o   61.384   11.040   32.990   9.2194   36.232   13.310   29.999   12.783   64.574   15.422   58.194   15.802 6.379745 22.08031 
1 1 1  -45    9   47 o   58.259   11.242   30.302   9.3318   37.918   13.402   23.133   13.002   66.126   15.265   50.391   16.508 15.73486 22.48364 
1 1 1  -45    9   48 f   65.090   10.976   37.759   9.7580   27.896   13.834   47.528   13.767   54.690   16.930   75.489   13.972 -20.79958 21.95104 
1 1 1  -45    9   49 o   41.777   10.899   13.951   8.5655   6.8565   12.102   21.073   12.125   35.306   14.861   48.249   15.948 -12.94353 21.79857 
1 1 1  -45    9   50 o   71.736   10.842   45.171   10.224   42.682   14.465   47.655   14.452   69.190   15.777   74.283   14.876 -5.092705 21.68396 
1 1 1  -45    9   51 o   82.249   9.8665   56.534   10.683   48.891   14.725   65.027   15.522   74.873   15.035   89.625   12.780 -14.75218 19.73298 
1 1 1  -45    9   52 o   84.251   13.624   59.070   15.555   0.0000   0.0000   59.070   15.555  ?   ?    84.251   13.624      ?      ? 
1 1 1  -45    9   53 o   53.864   11.738   27.771   9.4854   23.668   13.119   32.265   13.731   49.591   16.596   58.138   16.604 -8.547592 23.47560 
1 1 1  -45    9   54 o   52.639   10.556   23.052   9.4314   5.2084   12.608   45.724   14.212   33.798   14.712   71.480   15.143 -37.68156 21.11247 
1 1 1  -45    9   55 o   51.365   11.960   26.369   9.6554   27.036   13.423   25.653   13.899   52.247   16.746   50.482   17.081 1.765377 23.92029 
1 1 1  -45    9   56 o   53.223   11.954   28.574   9.6913   28.868   13.442   28.256   13.985   53.798   16.695   52.647   17.114 1.151661 23.90847 
1 1 1  -45    9   57 o   63.434   16.094   38.695   13.857   38.695   13.857   0.0000   0.0000   63.434   16.094  ?   ?       ?      ? 
1 1 1  -45    9   58 o   27.832   12.858  -2.2060   11.369  -2.2060   11.369   0.0000   0.0000   27.832   12.858  ?   ?       ?      ? 
1 1 1  -45    9   59 o   39.045   11.133   13.445   9.0996   9.1701   12.197   18.812   13.665   35.218   14.877   42.872   16.566 -7.653614 22.26530 
1 1 1  -45    9   60 o   37.599   11.118   12.396   9.4566   11.338   12.884   13.632   13.924   36.699   15.384   38.499   16.055 -1.800018 22.23582 
1 1 1  -45   10    1 o   28.746   13.045  -1.5801   11.020  -1.5801   11.020   0.0000   0.0000   28.746   13.045  ?   ?       ?      ? 
1 1 1  -45   10    2 o   26.008   12.223  -6.9333   11.003  -6.9333   11.003   0.0000   0.0000   26.008   12.223  ?   ?       ?      ? 
1 1 1  -45   10    3 o  112.655   11.768   99.089   17.965   99.089   17.965   0.0000   0.0000  112.655   11.768  ?   ?       ?      ? 
1 1 1  -45   10    4 o   49.030   16.459   21.834   12.905   21.834   12.905   0.0000   0.0000   49.030   16.459  ?   ?       ?      ? 
1 1 1  -45   10    5 o   77.284   13.984   49.513   14.106   49.513   14.106   0.0000   0.0000   77.284   13.984  ?   ?       ?      ? 
1 1 1  -45   10    6 o   75.002   14.599   47.309   14.304   47.309   14.304   0.0000   0.0000   75.002   14.599  ?   ?       ?      ? 
1 1 1  -45   10    7 o   46.670   15.740   18.977   11.803   18.977   11.803   0.0000   0.0000   46.670   15.740  ?   ?       ?      ? 
1 1 1  -45   10    8 o   50.109   16.099   22.272   12.400   22.272   12.400   0.0000   0.0000   50.109   16.099  ?   ?       ?      ? 
1 1 1  -45   10    9 o   47.861   15.816   19.966   11.925   19.966   11.925   0.0000   0.0000   47.861   15.816  ?   ?       ?      ? 
1 1 1  -45   10   12 o   71.025   15.117   42.581   14.103   42.581   14.103   0.0000   0.0000   71.025   15.117  ?   ?       ?      ? 
1 1 1  -45   10   13 o   48.383   16.213   20.371   12.521   20.371   12.521   0.0000   0.0000   48.383   16.213  ?   ?       ?      ? 
1 1 1  -45   10   14 o  101.126   11.600   78.142   15.896   78.142   15.896   0.0000   0.0000  101.126   11.600  ?   ?       ?      ? 
1 1 1  -45   10   15 o   56.851   15.895   28.136   12.722   28.136   12.722   0.0000   0.0000   56.851   15.895  ?   ?       ?      ? 
1 1 1  -45   10   16 o   80.010   13.129   50.382   14.236   50.382   14.236   0.0000   0.0000   80.010   13.129  ?   ?       ?      ? 
1 1 1  -45   10   17 o  110.014   11.442   92.013   17.058   92.013   17.058   0.0000   0.0000  110.014   11.442  ?   ?       ?      ? 
1 1 1  -45   10   18 o   65.176   15.912   36.583   13.931   36.583   13.931   0.0000   0.0000   65.176   15.912  ?   ?       ?      ? 
1 1 1  -45   10   19 o   73.931   14.514   45.039   14.022   45.039   14.022   0.0000   0.0000   73.931   14.514  ?   ?       ?      ? 
1 1 1  -45   10   20 f   72.876   14.680   43.954   13.996   43.954   13.996   0.0000   0.0000   72.876   14.680  ?   ?       ?      ? 
1 1 1  -45   10   21 o   36.411   14.817   7.7814   11.481   7.7814   11.481   0.0000   0.0000   36.411   14.817  ?   ?       ?      ? 
1 1 1  -45   10   22 o   42.841   15.532   14.741   11.621   14.741   11.621   0.0000   0.0000   42.841   15.532  ?   ?       ?      ? 
1 1 1  -45   10   23 o   52.932   16.141   24.426   12.630   24.426   12.630   0.0000   0.0000   52.932   16.141  ?   ?       ?      ? 
1 1 1  -45   10   24 o   25.715   12.123  -8.3809   10.973  -8.3809   10.973   0.0000   0.0000   25.715   12.123  ?   ?       ?      ? 
1 1 1  -45   10   25 o   90.456   12.638   63.610   15.492   63.610   15.492   0.0000   0.0000   90.456   12.638  ?   ?       ?      ? 
1 1 1  -45   10   26 o   50.180   16.410   21.978   12.851   21.978   12.851   0.0000   0.0000   50.180   16.410  ?   ?       ?      ? 
1 1 1  -45   10   27 o   89.278   13.092   62.596   15.839   62.596   15.839   0.0000   0.0000   89.278   13.092  ?   ?       ?      ? 
1 1 1  -45   10   37 o   39.286   10.831   11.396   8.3370   12.535   11.517   10.142   12.084   40.228   15.292   38.344   15.343 1.884468 21.66195 
1 1 1  -45   10   38 o   27.637   12.636  -3.1482   10.591   0.0000   0.0000  -3.1482   10.591  ?   ?    27.637   12.636      ?      ? 
1 1 1  -45   10   39 o   71.007   14.287   42.178   13.271   0.0000   0.0000   42.178   13.271  ?   ?    71.007   14.287      ?      ? 
1 1 1  -45   10   40 o   55.489   10.971   27.132   8.7316   21.242   12.153   33.415   12.553   48.804   15.958   62.173   15.059 -13.36894 21.94181 
1 1 1  -45   10   41 o   85.817   8.6257   57.954   10.020   55.691   14.246   60.168   14.097   83.820   12.542   87.815   11.846 -3.994583 17.25150 
1 1 1  -45   10   42 o   97.260   8.2798   73.734   10.910   75.251   15.643   72.298   15.224   98.181   11.758   96.340   11.661 1.841095 16.55967 
1 1 1  -45   10   43 o   39.128   10.844   11.231   8.4880   6.9728   11.637   16.072   12.408   35.089   14.658   43.166   15.984 -8.076302 21.68776 
1 1 1  -45   10   44 o   27.629   12.645  -2.7763   10.641  -2.7763   10.641   0.0000   0.0000   27.629   12.645  ?   ?       ?      ? 
1 1 1  -45   10   45 o   29.727   9.3945  -1.4429   7.8290  -7.2536   10.398   6.1624   11.896   24.978   11.784   34.476   14.635 -9.497505 18.78899 
1 1 1  -45   10   46 o   36.762   10.560   9.4812   8.2289   10.250   11.088   8.5380   12.277   37.168   14.754   36.355   15.111 0.8130722 21.11905 
1 1 1  -45   10   47 o   49.308   10.958   20.894   8.7899   10.518   11.714   34.262   13.297   37.530   15.075   61.085   15.906 -23.55509 21.91512 
1 1 1  -45   10   48 o   39.859   10.977   12.344   8.7163   6.6808   11.761   19.244   12.982   34.415   14.577   45.302   16.417 -10.88659 21.95493 
1 1 1  -45   10   49 o   33.730   10.212   5.5488   8.4565   9.2041   11.644   1.4690   12.302   36.137   14.838   31.322   14.035 4.814911 20.42397 
1 1 1  -45   10   50 o   54.859   11.555   29.048   9.6198   20.502   13.413   38.100   13.805   45.912   16.680   63.806   15.996 -17.89461 23.11027 
1 1 1  -45   10   51 o   69.786   11.268   45.517   10.428   47.705   14.501   43.174   15.006   72.510   15.241   67.061   16.601 5.449539 22.53637 
1 1 1  -45   10   52 o   26.663   12.587  -6.3419   11.905   0.0000   0.0000  -6.3419   11.905  ?   ?    26.663   12.587      ?      ? 
1 1 1  -45   10   53 o   39.148   11.014   13.096   9.0812   18.706   12.541   6.9124   13.167   43.713   16.091   34.582   15.044 9.131294 22.02802 
1 1 1  -45   10   54 o   38.974   11.002   12.441   9.1080   5.0774   12.476   20.845   13.328   32.837   14.454   45.111   16.591 -12.27367 22.00415 
1 1 1  -45   10   55 o   39.023   11.138   13.965   9.1064   15.335   12.890   12.599   12.867   40.104   15.912   37.942   15.591 2.162746 22.27649 
1 1 1  -45   10   56 f   34.186   10.523   7.3594   9.1797   10.272   12.972   4.4375   12.992   36.008   15.283   32.364   14.468 3.643871 21.04525 
1 1 1  -45   11   44 o   43.191   15.450   17.187   11.453   17.187   11.453   0.0000   0.0000   43.191   15.450  ?   ?       ?      ? 
1 1 1  -45   11   45 o   31.841   9.6124   0.4856   8.0427 -10.8656   10.905   14.022   11.909   23.729   11.431   39.953   15.457 -16.22398 19.22474 
1 1 1  -45   11   46 o   52.095   11.061   25.753   9.1866   14.269   12.744   38.175   13.255   40.064   15.845   64.126   15.438 -24.06199 22.12217 
1 1 1  -45   11   47 o   30.985   9.6645   2.5777   8.0696   7.0738   11.362  -1.9981   11.463   33.773   14.317   28.198   12.986 5.575024 19.32909 
1 1 1  -45   11   48 o   57.212   11.571   32.621   9.6356   25.873   13.481   39.670   13.777   50.065   16.823   64.359   15.892 -14.29358 23.14200 
1 1 1  -45   11   49 o   69.754   11.045   46.169   10.229   39.214   14.272   53.515   14.668   62.736   16.549   76.772   14.633 -14.03598 22.09035 
1 1 1  -45   11   50 o   61.729   11.793   38.944   10.246   44.933   14.440   32.871   14.541   68.108   15.929   55.350   17.395 12.75751 23.58633 
1 1 1  -45   11   51 o   78.671   10.751   58.153   11.044   61.369   15.704   55.007   15.533   81.526   14.758   75.817   15.638 5.708618 21.50207 
1 1 1  -45   11   52 o   49.156   17.202   26.922   14.133   0.0000   0.0000   26.922   14.133  ?   ?    49.156   17.202      ?      ? 
1 1 1  -44    0    1 o   46.109   13.856   18.401   7.5459   0.0000   0.0000   18.401   7.5459   46.109   13.856   46.109   13.856 -0.000000 0.000000 
1 1 1  -44    0    2 o  196.869   6.6165  266.634   17.607   0.0000   0.0000  266.634   17.607  196.869   6.6165  196.869   6.6165 -0.000000 0.000000 
1 1 1  -44    0    3 o  138.681   6.8602  132.895   12.821   0.0000   0.0000  132.895   12.821  138.681   6.8602  138.681   6.8602 -0.000000 0.000000 
1 1 1  -44    0    4 o  104.769   7.4581   76.560   10.465   0.0000   0.0000   76.560   10.465  104.769   7.4581  104.769   7.4581 -0.000000 0.000000 
1 1 1  -44    0    5 o  135.123   6.8985  126.176   12.557   0.0000   0.0000  126.176   12.557  135.123   6.8985  135.123   6.8985 -0.000000 0.000000 
1 1 1  -44    0    6 o  156.964   6.7194  169.741   14.233   0.0000   0.0000  169.741   14.233  156.964   6.7194  156.964   6.7194 -0.000000 0.000000 
1 1 1  -44    0    7 o   91.273   8.0945   58.651   9.8307   0.0000   0.0000   58.651   9.8307   91.273   8.0945   91.273   8.0945 -0.000000 0.000000 
1 1 1  -44    0    8 o  150.690   6.8498  156.551   13.922   0.0000   0.0000  156.551   13.922  150.690   6.8498  150.690   6.8498 -0.000000 0.000000 
1 1 1  -44    0    9 o  186.236   6.7057  238.433   16.874   0.0000   0.0000  238.433   16.874  186.236   6.7057  186.236   6.7057 -0.000000 0.000000 
1 1 1  -44    0   10 o   91.915   8.1032   59.422   9.9128   0.0000   0.0000   59.422   9.9128   91.915   8.1032   91.915   8.1032 -0.000000 0.000000 
1 1 1  -44    0   11 o   49.671   14.063   20.842   8.1986   0.0000   0.0000   20.842   8.1986   49.671   14.063   49.671   14.063 -0.000000 0.000000 
1 1 1  -44    0   12 o  167.094   6.8699  192.167   15.496   0.0000   0.0000  192.167   15.496  167.094   6.8699  167.094   6.8699 -0.000000 0.000000 
1 1 1  -44    0   13 o  154.976   6.9397  165.471   14.508   0.0000   0.0000  165.471   14.508  154.976   6.9397  154.976   6.9397 -0.000000 0.000000 
1 1 1  -44    0   14 o   60.732   12.099   28.416   8.8408   0.0000   0.0000   28.416   8.8408   60.732   12.099   60.732   12.099 -0.000000 0.000000 
1 1 1  -44    0   15 o   19.296   12.415   0.4747   7.4510   0.0000   0.0000   0.4747   7.4510   19.296   12.415   19.296   12.415 -0.000000 0.000000 
1 1 1  -44    0   16 o  183.378   6.9372  231.224   17.183   0.0000   0.0000  231.224   17.183  183.378   6.9372  183.378   6.9372 -0.000000 0.000000 
1 1 1  -44    0   17 o  176.976   6.9043  215.380   16.501   0.0000   0.0000  215.380   16.501  176.976   6.9043  176.976   6.9043 -0.000000 0.000000 
1 1 1  -44    0   18 o  184.304   6.8964  233.485   17.170   0.0000   0.0000  233.485   17.170  184.304   6.8964  184.304   6.8964 -0.000000 0.000000 
1 1 1  -44    0   19 o  175.985   7.1238  213.163   16.926   0.0000   0.0000  213.163   16.926  175.985   7.1238  175.985   7.1238 -0.000000 0.000000 
1 1 1  -44    0   20 o  109.229   11.351   85.566   16.386   0.0000   0.0000   85.566   16.386  109.229   11.351  109.229   11.351 -0.000000 0.000000 
1 1 1  -44    0   21 o  210.458   9.8066  308.213   27.830   0.0000   0.0000  308.213   27.830  210.458   9.8066  210.458   9.8066 -0.000000 0.000000 
1 1 1  -44    0   22 o   83.486   9.7707   50.036   10.658   0.0000   0.0000   50.036   10.658   83.486   9.7707   83.486   9.7707 -0.000000 0.000000 
1 1 1  -44    0   23 o  215.544   7.0951  319.208   20.673   0.0000   0.0000  319.208   20.673  215.544   7.0951  215.544   7.0951 -0.000000 0.000000 
1 1 1  -44    0   24 o  111.775   8.1307   87.167   12.166   0.0000   0.0000   87.167   12.166  111.775   8.1307  111.775   8.1307 -0.000000 0.000000 
1 1 1  -44    0   25 o  182.131   7.3019  228.416   17.956   0.0000   0.0000  228.416   17.956  182.131   7.3019  182.131   7.3019 -0.000000 0.000000 
1 1 1  -44    0   26 o  196.430   6.7818  268.885   17.923  280.937   25.068  256.280   25.637  201.155   9.2404  191.705   9.9291 -0.000000 0.000000 
1 1 1  -44    0   27 o  171.245   6.7244  203.294   15.450  189.472   20.913  219.903   22.924  164.854   9.4318  177.635   9.5870 -0.000000 0.000000 
1 1 1  -44    0   28 o  184.730   6.6979  237.421   16.638  235.335   22.835  239.783   24.293  183.993   9.2108  185.468   9.7267 -0.000000 0.000000 
1 1 1  -44    0   29 o   41.288   9.9261   16.059   7.6768   29.651   9.8793  -4.6584   12.197   61.207   13.632   21.369   14.432 -0.000000 0.000000 
1 1 1  -44    0   30 o   26.582   15.423   6.4680   9.0912   6.4680   9.0912   0.0000   0.0000   26.582   15.423   26.582   15.423 -0.000000 0.000000 
1 1 1  -44    0   31 o  170.468   9.2459  202.392   21.215  202.392   21.215   0.0000   0.0000  170.468   9.2459  170.468   9.2459 -0.000000 0.000000 
1 1 1  -44    0   32 f  170.511   6.8253  203.473   15.615  215.123   21.835  191.278   22.340  175.782   9.2242  165.240   10.062 -0.000000 0.000000 
1 1 1  -44    0   33 o   76.349   9.9244   44.392   9.2041   40.924   12.340   48.741   13.818   72.764   14.015   79.933   14.055 -0.000000 0.000000 
1 1 1  -44    0   34 o   72.921   10.664   40.851   9.1170   31.379   11.938   54.105   14.121   60.843   16.744   84.999   13.210 -0.000000 0.000000 
1 1 1  -44    0   35 o  193.391   6.8066  260.776   17.727  258.700   24.620  263.012   25.546  192.669   9.4818  194.114   9.7680 -0.000000 0.000000 
1 1 1  -44    0   36 o  158.218   6.8887  175.887   14.592  186.783   20.344  164.342   20.942  163.591   9.2445  152.844   10.216 -0.000000 0.000000 
1 1 1  -44    0   37 o   84.367   9.6113   52.904   9.7213   39.964   12.955   69.582   14.707   70.820   15.403   97.914   11.500 -0.000000 0.000000 
1 1 1  -44    0   38 o  162.240   6.9957  183.703   15.203  166.783   20.713  203.465   22.385  154.028   10.021  170.453   9.7645 -0.000000 0.000000 
1 1 1  -44    0   39 o  143.019   7.1447  144.231   13.684  144.660   19.137  143.783   19.574  143.316   9.9644  142.722   10.242 -0.000000 0.000000 
1 1 1  -44    0   40 o   99.822   8.3303   72.703   10.818   76.134   15.112   69.096   15.494  102.654   11.202   96.990   12.332 -0.000000 0.000000 
1 1 1  -44    0   41 o  142.137   7.2047  142.713   13.699  134.982   19.241  150.660   19.508  138.044   10.422  146.230   9.9504 -0.000000 0.000000 
1 1 1  -44    0   42 o  192.277   6.9069  258.748   17.872  243.513   24.959  274.779   25.603  186.312   9.9506  198.241   9.5814 -0.000000 0.000000 
1 1 1  -44    0   43 o   31.322   17.599   10.160   11.307   0.0000   0.0000   10.160   11.307   31.322   17.599   31.322   17.599 -0.000000 0.000000 
1 1 1  -44    0   44 o   37.656   18.544   15.481   11.307   0.0000   0.0000   15.481   11.307   37.656   18.544   37.656   18.544 -0.000000 0.000000 
1 1 1  -44    0   45 o  171.409   7.0356  206.790   16.214  203.833   22.994  209.715   22.866  170.111   10.055  172.707   9.8434 -0.000000 0.000000 
1 1 1  -44    0   46 o   65.089   11.968   35.769   9.1287   38.735   13.080   32.952   12.746   68.734   16.165   61.444   17.654 -0.000000 0.000000 
1 1 1  -44    0   47 o  267.974   7.2828  504.386   26.351  505.052   37.725  503.750   36.822  268.034   10.422  267.914   10.175 -0.000000 0.000000 
1 1 1  -44    0   48 o   28.686   11.145   3.9549   8.0466 -11.6425   12.026   16.600   10.828   18.131   12.735   39.241   18.294 -0.000000 0.000000 
1 1 1  -44    0   49 o   83.735   9.7523   53.174   10.047   62.135   14.948   45.789   13.570   91.109   12.841   76.362   14.682 -0.000000 0.000000 
1 1 1  -44    0   50 o   36.095   13.370   14.455   8.6639   16.730   12.437   12.309   12.076   38.645   19.376   33.546   18.428 -0.000000 0.000000 
1 1 1  -44    0   53 o  114.128   8.2458   95.337   12.302   84.019   17.465  106.481   17.330  106.576   12.549  121.681   10.700 -0.000000 0.000000 
1 1 1  -44    0   54 o  172.053   7.2271  210.199   16.664  191.990   23.444  228.794   23.691  164.117   10.644  179.989   9.7789 -0.000000 0.000000 
1 1 1  -44    0   55 o  119.043   8.1619  102.849   12.845  106.840   19.032   99.510   17.407  120.974   11.872  117.113   11.204 -0.000000 0.000000 
1 1 1  -44    0   56 o   79.270   11.757   53.388   10.542   36.512   15.278   68.725   14.566   61.997   20.468   96.543   11.573 -0.000000 0.000000 
1 1 1  -44    0   57 f   36.115   12.889   11.723   8.8188   24.684   13.621   2.3684   11.572   47.863   20.525   24.368   15.595 -0.000000 0.000000 
1 1 1  -44    0   58 o  199.335   7.2744  282.321   19.492  280.805   28.399  283.672   26.802  198.518   10.626  200.150   9.9375 -0.000000 0.000000 
1 1 1  -44    0   59 o   66.359   12.855   38.333   10.121   50.566   15.368   28.963   13.450   78.838   16.296   53.881   19.885 -0.000000 0.000000 
1 1 1  -44    0   60 o   86.834   11.274   62.237   11.134   45.850   16.395   76.266   15.169   71.845   19.481  101.823   11.355 -0.000000 0.000000 
1 1 1  -44    0   61 o   72.531   16.011   43.341   13.765   0.0000   0.0000   43.341   13.765   72.531   16.011   72.531   16.011 -0.000000 0.000000 
1 1 1  -44    0   62 o   83.340   14.340   54.481   14.757   0.0000   0.0000   54.481   14.757   83.340   14.340   83.340   14.340 -0.000000 0.000000 
1 1 1  -44    0   63 o  113.967   11.405   95.456   17.210   0.0000   0.0000   95.456   17.210  113.967   11.405  113.967   11.405 -0.000000 0.000000 
1 1 1  -44    0   64 o  114.596   11.531   96.824   17.491   0.0000   0.0000   96.824   17.491  114.596   11.531  114.596   11.531 -0.000000 0.000000 
1 1 1  -44    0   65 o   66.048   17.380   38.214   13.440   0.0000   0.0000   38.214   13.440   66.048   17.380   66.048   17.380 -0.000000 0.000000 
1 1 1  -44    0   66 o  203.396   10.094  296.359   27.665   0.0000   0.0000  296.359   27.665  203.396   10.094  203.396   10.094 -0.000000 0.000000 
1 1 1  -44    1    1 o  127.868   4.8138  113.648   8.3386  114.968   11.973  112.404   11.621  128.558   6.8723  127.178   6.7427 1.380310 9.627667 
1 1 1  -44    1    2 o   82.007   5.7153   47.189   6.3495   48.161   9.1204   46.275   8.8451   82.810   8.1273   81.204   8.0379 1.605865 11.43066 
1 1 1  -44    1    3 o  104.095   5.2370   75.760   7.3678   70.186   10.485   81.198   10.356  100.173   7.7238  108.017   7.0746 -7.844353 10.47407 
1 1 1  -44    1    4 o   85.031   6.7937   50.247   7.5331   47.349   9.3434   55.630   12.734   82.073   8.4008   87.989   10.679 -5.915939 13.58749 
1 1 1  -44    1    5 o  197.841   5.8845  278.636   14.943  287.973   18.597  261.627   25.100  203.770   6.7347  191.911   9.6515 11.85893 11.76891 
1 1 1  -44    1    6 o  157.361   5.7810  171.971   11.746  168.496   14.501  178.598   20.028  155.834   6.8670  158.889   9.3018 -3.054932 11.56195 
1 1 1  -44    1    7 o   66.205   8.5459   32.708   7.1457   33.713   8.9535   30.945   11.859   68.973   9.5792   63.436   14.155 5.536755 17.09173 
1 1 1  -44    1    8 o  195.351   4.7670  264.419   12.614  261.423   18.041  267.284   17.643  194.195   6.8557  196.507   6.6254 -2.311401 9.533911 
1 1 1  -44    1    9 o  143.353   4.8813  142.393   9.4764  143.872   13.678  141.028   13.141  144.019   7.0084  142.687   6.7963 1.332001 9.762578 
1 1 1  -44    1   10 o   92.882   5.6381   60.099   7.0893   63.302   10.304   57.221   9.7691   95.223   7.9849   90.542   7.9620 4.681557 11.27618 
1 1 1  -44    1   11 o  158.649   4.8294  174.283   10.380  173.750   14.834  174.794   14.531  158.371   6.9117  158.928   6.7469 -0.5572052 9.658785 
1 1 1  -44    1   12 o  133.023   5.0203  122.793   9.0409  119.627   12.960  125.794   12.618  131.271   7.2856  134.775   6.9089 -3.504013 10.04051 
1 1 1  -44    1   13 o   66.346   8.9781   34.914   7.2569   26.075   12.596   39.306   8.8786   57.827   15.679   74.865   8.7516 -17.03827 17.95622 
1 1 1  -44    1   14 o  100.091   6.8782   71.075   8.7011   69.887   15.242   71.650   10.598   98.703   11.395  101.479   7.7064 -2.776077 13.75648 
1 1 1  -44    1   15 o  144.105   6.0774  143.951   11.190  149.656   19.498  141.150   13.665  145.464   9.8911  142.745   7.0643 2.718521 12.15478 
1 1 1  -44    1   16 o  219.002   6.0270  336.427   16.834  332.376   29.061  338.472   20.651  216.820   9.8908  221.183   6.8899 -4.363052 12.05393 
1 1 1  -44    1   17 o   82.041   6.2988   47.132   6.9974   49.620   10.110   44.845   9.6947   84.129   8.8679   79.954   8.9477 4.174690 12.59764 
1 1 1  -44    1   18 o   85.706   6.2543   51.483   7.2506   55.557   10.344   47.548   10.166   89.128   8.5647   82.284   9.1167 6.844101 12.50869 
1 1 1  -44    1   19 o  166.406   4.9355  191.455   11.121  202.506   15.959  181.023   15.505  171.119   6.8822  161.694   7.0761 9.424683 9.870931 
1 1 1  -44    1   20 o  102.519   5.6902   73.279   7.8574   83.773   11.268   63.347   10.962  109.831   7.5708   95.207   8.4968 14.62417 11.38036 
1 1 1  -44    1   21 o   75.934   6.8711   40.968   6.9324   31.657   9.6932   50.717   9.9186   66.708   10.723   85.161   8.5946 -18.45352 13.74212 
1 1 1  -44    1   22 o  110.602   5.5957   85.304   8.3684   79.980   11.937   90.448   11.735  107.084   8.2262  114.120   7.5880 -7.035606 11.19145 
1 1 1  -44    1   23 o   78.192   6.7633   42.977   7.1472   47.535   10.349   38.820   9.8822   82.233   9.2872   74.151   9.8346 8.081825 13.52669 
1 1 1  -44    1   24 o   97.333   7.2873   68.392   9.1740   71.909   11.587   62.483   15.019  101.462   8.4271   93.203   11.891 8.258781 14.57464 
1 1 1  -44    1   25 o  169.588   7.2550  204.994   16.554  190.122   24.281  217.910   22.628  163.271   10.974  175.906   9.4927 -12.63496 14.51006 
1 1 1  -44    1   26 o   84.807   7.4882   51.946   8.0777   53.755   9.9759   48.502   13.765   87.726   8.3916   81.888   12.405 5.837944 14.97648 
1 1 1  -44    1   27 o   80.458   7.5464   48.842   7.4774   38.012   12.004   55.709   9.5582   71.460   12.869   89.456   7.8847 -17.99573 15.09275 
1 1 1  -44    1   28 o  211.627   4.7695  309.603   13.673  299.344   19.270  320.006   19.405  208.040   6.8352  215.215   6.6537 -7.175049 9.538932 
1 1 1  -44    1   29 o  147.788   4.7832  151.125   9.5685  142.895   13.527  159.369   13.537  143.676   6.9474  151.900   6.5764 -8.223312 9.566339 
1 1 1  -44    1   30 o  104.285   5.2666   75.539   7.4394   78.521   10.566   72.608   10.476  106.365   7.3306  102.204   7.5639 4.161400 10.53328 
1 1 1  -44    1   31 o   55.624   7.6576   22.463   5.6490   19.148   7.8784   25.970   8.1042   50.674   11.708   60.574   9.8728 -9.900219 15.31515 
1 1 1  -44    1   32 o  126.406   4.9692  110.683   8.5077  115.839   12.169  105.753   11.899  129.317   6.9442  123.494   7.1100 5.822762 9.938498 
1 1 1  -44    1   33 o  169.165   5.7765  199.857   12.514  199.650   15.386  200.261   21.511  169.885   6.6832  168.445   9.4238 1.440231 11.55310 
1 1 1  -44    1   34 o   88.861   6.6359   53.090   7.6751   46.846   9.4119   65.485   13.260   81.757   8.4951   95.964   10.197 -14.20681 13.27185 
1 1 1  -44    1   35 o  146.029   4.8641  147.553   9.6027  162.242   13.862  134.000   13.315  153.098   6.6815  138.961   7.0708 14.13716 9.728269 
1 1 1  -44    1   36 o  193.084   4.7953  258.311   12.545  252.544   17.685  264.153   17.799  190.879   6.8371  195.288   6.7256 -4.408905 9.590638 
1 1 1  -44    1   37 o   74.720   6.5233   39.708   6.4730   30.533   9.0341   49.387   9.2791   65.451   10.186   83.990   8.1526 -18.53835 13.04651 
1 1 1  -44    1   38 o  147.222   4.8907  150.413   9.7560  147.074   13.703  153.844   13.893  145.550   6.9475  148.894   6.8854 -3.344452 9.781460 
1 1 1  -44    1   39 o  209.686   4.8249  305.102   13.710  309.165   19.480  301.114   19.298  211.079   6.8102  208.293   6.8368 2.785980 9.649856 
1 1 1  -44    1   40 o   81.815   6.1517   47.197   6.7946   52.456   9.7130   42.156   9.5082   86.425   8.2933   77.205   9.0881 9.220665 12.30335 
1 1 1  -44    1   41 o  108.570   6.4874   82.011   9.1335   78.474   11.280   88.743   15.563  105.861   7.8634  111.280   10.320 -5.418716 12.97471 
1 1 1  -44    1   42 o   76.449   8.5571   46.194   7.9243   53.855   10.049   33.595   12.887   87.431   8.4814   65.468   14.865 21.96272 17.11411 
1 1 1  -44    1   43 f  132.587   5.0796  122.482   9.1201  125.141   13.198  120.053   12.617  133.916   7.2728  131.258   7.0933 2.658081 10.15917 
1 1 1  -44    1   44 o  108.213   5.4754   82.096   8.0222   81.921   11.580   82.257   11.124  108.023   7.9109  108.403   7.5722 -0.3796997 10.95085 
1 1 1  -44    1   45 f  183.139   4.9841  233.980   12.365  231.001   17.662  236.844   17.316  181.909   7.1646  184.370   6.9306 -2.460663 9.968218 
1 1 1  -44    1   46 o   57.009   15.392   26.047   12.169   0.0000   0.0000   26.047   12.169  ?   ?    57.009   15.392      ?      ? 
1 1 1  -44    1   47 o  112.342   5.4867   88.662   8.3413   89.104   12.128   88.265   11.490  112.505   7.9552  112.179   7.5585 0.3258133 10.97339 
1 1 1  -44    1   48 o   90.582   5.9669   57.999   7.3119   59.515   10.708   56.675   10.009   91.601   8.6259   89.562   8.2467 2.039520 11.93371 
1 1 1  -44    1   49 o   82.053   8.5948   53.226   8.2480   42.892   14.559   58.110   10.009   73.409   15.138   90.697   8.1436 -17.28757 17.18967 
1 1 1  -44    1   50 o  120.737   5.3277  102.236   8.7069  108.940   12.627   96.158   12.022  124.533   7.4823  116.941   7.5864 7.591736 10.65541 
1 1 1  -44    1   51 o  112.388   5.4332   88.992   8.2723   87.015   11.739   90.943   11.659  111.083   7.7984  113.693   7.5673 -2.609489 10.86645 
1 1 1  -44    1   52 o   75.064   8.4931   41.496   7.9277   39.769   9.6607   45.058   13.872   74.308   9.5939   75.821   14.017 -1.513206 16.98610 
1 1 1  -44    1   53 o  216.366   6.3173  337.106   17.347  341.842   21.259  327.667   30.009  220.755   7.1063  211.978   10.447 8.777008 12.63452 
1 1 1  -44    1   54 o  122.240   5.4534  105.598   8.9980   94.137   12.594  117.547   12.860  115.228   8.0655  129.252   7.3421 -14.02453 10.90683 
1 1 1  -44    1   55 o   55.412   8.6036   23.711   6.5178   15.489   9.1316   32.250   9.3060   44.369   13.759   66.454   10.334 -22.08525 17.20712 
1 1 1  -44    1   56 f   80.039   6.8362   46.423   7.4132   46.421   10.588   46.426   10.383   79.982   9.7686   80.096   9.5659 -0.1134720 13.67234 
1 1 1  -44    1   57 o   43.321   10.937   13.909   8.4854   20.082   11.822   7.3499   12.187   49.378   15.704   37.263   15.226 12.11537 21.87337 
1 1 1  -44    1   58 o   66.122   11.059   36.284   9.7457   36.614   13.436   35.918   14.157   66.798   15.187   65.446   16.079 1.352280 22.11708 
1 1 1  -44    1   59 o   56.669   9.8066   27.388   7.8549   33.831   9.9687   16.837   12.757   67.556   10.889   45.782   16.313 21.77454 19.61324 
1 1 1  -44    1   60 o   99.215   7.3194   73.394   9.3405   75.832   11.688   69.087   15.538  102.893   8.3826   95.538   12.001 7.355080 14.63888 
1 1 1  -44    1   61 f  105.230   6.9125   76.553   9.4824   65.585   11.633   98.265   16.368   95.204   9.0171  115.256   10.480 -20.05139 13.82506 
1 1 1  -44    1   62 o  138.259   7.4865  142.176   14.006  137.549   20.103  146.541   19.523  135.665   10.935  140.854   10.228 -5.188583 14.97293 
1 1 1  -44    1   63 o  156.299   7.3893  181.923   15.525  156.049   21.765  208.726   22.152  143.996   11.154  168.602   9.6954 -24.60632 14.77865 
1 1 1  -44    1   64 o   94.908   8.5920   68.910   11.003   78.188   16.204   60.974   14.987  101.098   11.828   88.719   12.466 12.37976 17.18402 
1 1 1  -44    1   65 o   70.561   14.558   41.386   13.458   0.0000   0.0000   41.386   13.458  ?   ?    70.561   14.558      ?      ? 
1 1 1  -44    1   66 o   32.820   14.084   3.7299   11.237   0.0000   0.0000   3.7299   11.237  ?   ?    32.820   14.084      ?      ? 
1 1 1  -44    1   67 o   75.818   14.152   47.749   14.005   0.0000   0.0000   47.749   14.005  ?   ?    75.818   14.152      ?      ? 
1 1 1  -44    2    1 o  100.465   7.8275   73.192   10.645   77.765   15.213   68.804   14.900  103.682   10.828   97.247   11.307 6.434326 15.65496 
1 1 1  -44    2    2 o  176.291   5.8807  216.848   13.034  224.143   23.364  213.552   15.704  177.202   9.7298  175.381   6.6077 1.821289 11.76141 
1 1 1  -44    2    3 o   73.913   7.7936   35.993   7.2695   49.825   13.632   30.496   8.5933   82.419   12.205   65.406   9.6952 17.01259 15.58730 
1 1 1  -44    2    4 o   87.806   8.0446   60.003   8.0841   47.826   14.721   65.261   9.6731   78.891   14.297   96.720   7.3802 -17.82928 16.08913 
1 1 1  -44    2    5 o   79.929   7.6291   44.828   7.5116   48.809   14.088   43.247   8.8791   81.412   12.769   78.447   8.3523 2.964592 15.25828 
1 1 1  -44    2    6 o  102.154   6.8304   76.645   8.5526   67.691   15.300   80.714   10.315   96.560   11.692  107.747   7.0643 -11.18679 13.66070 
1 1 1  -44    2    7 o  111.450   6.7099   91.634   9.1855   78.601   16.234   97.771   11.140  104.229   11.494  118.671   6.9273 -14.44197 13.41985 
1 1 1  -44    2    8 o   43.293   8.7949   14.190   5.5591   10.474   8.2056   17.343   7.5579   38.526   13.124   48.061   11.712 -9.535091 17.58970 
1 1 1  -44    2    9 f  143.635   4.9019  142.675   9.5262  152.041   13.942  134.474   13.046  148.033   6.9502  139.236   6.9143 8.797531 9.803741 
1 1 1  -44    2   10 o  212.380   4.8468  312.527   13.941  315.734   20.105  309.558   19.348  213.360   6.9537  211.401   6.7537 1.958862 9.693626 
1 1 1  -44    2   11 o  118.114   5.2798   97.001   8.4476   99.337   12.159   94.822   11.745  119.469   7.5102  116.758   7.4232 2.710800 10.55970 
1 1 1  -44    2   12 o  117.646   6.3563   97.261   9.6478   96.996   11.955   97.757   16.337  118.090   7.4708  117.203   10.286 0.8864594 12.71265 
1 1 1  -44    2   13 o  183.443   5.9155  235.887   13.984  236.811   17.332  234.163   23.672  184.882   6.9178  182.003   9.5978 2.878479 11.83107 
1 1 1  -44    2   14 o  206.495   4.8557  295.200   13.578  296.633   19.585  293.873   18.842  206.901   6.9850  206.089   6.7468 0.8114929 9.711319 
1 1 1  -44    2   15 o  131.820   5.1314  120.955   9.1360  113.977   13.197  127.378   12.660  128.003   7.6080  135.636   6.8880 -7.633484 10.26280 
1 1 1  -44    2   16 o  135.528   5.0773  127.555   9.3108  123.088   13.378  131.751   12.967  133.120   7.4156  137.936   6.9371 -4.816238 10.15454 
1 1 1  -44    2   17 o  302.162   5.2755  633.521   21.587  653.873   31.247  614.939   29.857  306.743   7.5172  297.582   7.4039 9.161194 10.55107 
1 1 1  -44    2   18 o  171.973   4.9551  205.074   11.533  196.007   16.456  213.827   16.167  168.116   7.2231  175.829   6.7851 -7.713577 9.910149 
1 1 1  -44    2   19 o  129.161   5.2458  115.942   9.1703  109.963   13.013  121.839   12.925  125.758   7.6359  132.564   7.1948 -6.806488 10.49156 
1 1 1  -44    2   20 o   52.867   10.200   21.308   7.1509   20.826   12.981   21.518   8.5683   52.053   16.445   53.681   12.071 -1.628010 20.39980 
1 1 1  -44    2   21 o   98.865   7.2703   69.127   9.0911   69.967   16.018   68.728   11.042   98.499   12.000   99.230   8.2114 -0.7313919 14.54065 
1 1 1  -44    2   22 o   36.557   9.8806   3.9158   7.9405  -9.1625   11.582   15.514   10.907   27.243   12.719   45.871   15.124 -18.62722 19.76120 
1 1 1  -44    2   23 o   80.075   7.7158   47.641   6.7353   48.946   7.7245   43.502   13.756   84.134   6.7751   76.015   13.865 8.118942 15.43167 
1 1 1  -44    2   24 o   56.448   8.7253   25.225   5.8995   27.296   6.8595   19.340   11.563   62.561   8.0910   50.334   15.462 12.22691 17.45066 
1 1 1  -44    2   25 o  134.688   5.6666  124.380   9.1094  122.085   10.583  130.942   17.897  133.208   5.8626  136.169   9.6990 -2.961594 11.33315 
1 1 1  -44    2   26 f  169.440   5.6415  203.924   11.342  208.393   13.274  191.833   21.836  174.135   5.6250  164.744   9.7809 9.391235 11.28298 
1 1 1  -44    2   27 o  311.891   6.1030  671.109   22.461  660.516   25.958  702.664   44.803  309.546   6.1882  314.237   10.521 -4.690735 12.20609 
1 1 1  -44    2   28 o  130.480   6.2562  116.919   10.749  109.189   13.501  130.304   17.766  125.145   7.9612  135.815   9.6529 -10.67031 12.51236 
1 1 1  -44    2   29 o  149.029   6.1136  156.210   11.446  154.090   20.310  157.196   13.856  147.332   10.173  150.726   6.7839 -3.394012 12.22713 
1 1 1  -44    2   30 o  199.610   4.7580  275.466   12.865  285.880   18.455  265.620   17.945  203.296   6.6988  195.924   6.7587 7.371979 9.515974 
1 1 1  -44    2   31 o  191.306   4.7468  253.372   12.294  240.786   17.381  265.974   17.393  186.449   6.8789  196.163   6.5428 -9.713333 9.493597 
1 1 1  -44    2   32 o  126.574   4.9836  110.899   8.5396  117.155   12.392  105.242   11.784  129.972   7.0358  123.177   7.0599 6.795189 9.967165 
1 1 1  -44    2   33 o  124.851   5.0007  108.093   8.4564  112.931   12.115  103.497   11.809  127.600   7.0062  122.102   7.1371 5.498909 10.00131 
1 1 1  -44    2   34 o  215.112   4.8061  320.557   14.009  325.238   19.968  316.021   19.659  216.655   6.8011  213.568   6.7926 3.086182 9.612203 
1 1 1  -44    2   35 o  144.255   6.0224  147.828   11.101  151.751   13.725  140.409   18.877  147.943   6.8462  140.567   9.9100 7.375687 12.04487 
1 1 1  -44    2   36 o   58.043   8.9105   24.504   6.6506   21.266   8.3787   30.020   10.934   53.223   11.914   62.862   13.253 -9.638737 17.82104 
1 1 1  -44    2   37 o  120.947   5.1188  101.796   8.3881   99.715   11.868  103.872   11.857  119.677   7.3181  122.217   7.1591 -2.539482 10.23751 
1 1 1  -44    2   38 o  108.390   6.4092   80.665   8.9624   75.629   10.959   90.835   15.573  104.018   7.7747  112.762   10.191 -8.743965 12.81836 
1 1 1  -44    2   39 o   74.257   7.8807   38.641   7.5936   35.858   9.3390   44.071   13.045   70.986   9.7083   77.527   12.417 -6.540154 15.76149 
1 1 1  -44    2   40 o   76.313   8.5423   45.847   7.9135   53.191   10.033   33.759   12.873   86.905   8.5197   65.721   14.809 21.18369 17.08452 
1 1 1  -44    2   41 o   77.120   9.1768   44.562   9.3760   43.135   13.438   45.916   13.088   75.124   13.705   79.117   12.208 -3.992973 18.35355 
1 1 1  -44    2   42 o  173.669   4.9046  208.695   11.498  236.164   16.933  185.195   15.662  184.314   6.7795  163.025   7.0894 21.28983 9.809239 
1 1 1  -44    2   43 o  100.446   5.6306   70.718   7.6554   73.995   11.158   67.804   10.523  102.612   8.0240   98.280   7.9012 4.332451 11.26113 
1 1 1  -44    2   44 o  110.416   5.3675   85.330   8.0246   87.372   11.636   83.477   11.082  111.627   7.6919  109.206   7.4882 2.420807 10.73497 
1 1 1  -44    2   45 o  142.766   5.0141  142.410   9.6873  139.246   13.969  145.342   13.445  141.108   7.3054  144.424   6.8699 -3.315475 10.02816 
1 1 1  -44    2   46 o  105.874   6.8343   79.550   9.0391   82.285   16.355   78.346   10.846  106.063   11.379  105.685   7.5732 0.3780136 13.66861 
1 1 1  -44    2   47 o  185.194   6.8301  239.185   17.141   0.0000   0.0000  239.185   17.141  ?   ?   185.194   6.8301      ?      ? 
1 1 1  -44    2   48 o  164.327   6.1749  194.026   12.804  185.448   22.300  198.245   15.639  160.114   10.278  168.541   6.8472 -8.426590 12.34980 
1 1 1  -44    2   49 o  220.034   4.9841  338.858   14.853  329.555   21.132  347.941   20.881  216.908   7.1894  223.159   6.9050 -6.251297 9.968260 
1 1 1  -44    2   50 o  174.410   4.9560  212.721   11.706  216.606   16.915  209.150   16.216  175.866   7.0976  172.953   6.9190 2.913361 9.912060 
1 1 1  -44    2   51 o  103.403   5.7380   75.360   8.0227   81.496   11.812   70.105   10.931  107.288   8.1245   99.518   8.1052 7.770096 11.47610 
1 1 1  -44    2   52 o  106.833   5.7044   81.001   8.2364   77.436   11.904   84.275   11.408  104.369   8.4164  109.297   7.7023 -4.928062 11.40887 
1 1 1  -44    2   53 o  177.158   5.0392  220.222   12.095  225.322   17.307  215.353   16.910  179.161   7.1286  175.156   7.1243 4.004425 10.07832 
1 1 1  -44    2   54 o  137.091   6.6774  137.874   11.607  143.019   14.319  128.013   19.822  142.479   7.4160  131.703   11.106 10.77617 13.35479 
1 1 1  -44    2   55 o   75.100   9.0035   42.111   8.4367   39.847   10.288   46.760   14.743   73.862   10.278   76.338   14.785 -2.476173 18.00694 
1 1 1  -44    2   56 f  107.684   5.7840   82.599   8.4220   81.349   12.258   83.717   11.591  106.721   8.4761  108.647   7.8725 -1.926231 11.56804 
1 1 1  -44    2   57 o   87.542   7.6165   56.942   8.7166   58.288   11.092   54.770   14.096   89.929   9.1014   85.154   12.215 4.775581 15.23309 
1 1 1  -44    2   58 o  101.019   7.1849   74.219   9.4692   72.763   11.867   76.770   15.711  100.678   8.6978  101.359   11.438 -0.6805344 14.36972 
1 1 1  -44    2   59 o   87.791   7.7086   56.088   8.8514   52.987   11.044   61.659   14.800   85.357   9.5479   90.225   12.105 -4.868027 15.41712 
1 1 1  -44    2   60 o  138.260   6.4515  137.092   11.566  133.844   14.361  143.088   19.513  137.210   7.7235  139.308   10.336 -2.097961 12.90294 
1 1 1  -44    2   61 o   61.382   9.9801   30.592   7.8459   30.430   9.7111   30.897   13.315   62.643   11.874   60.120   16.044 2.522507 19.96025 
1 1 1  -44    2   62 o  124.934   6.8992  117.520   11.015  125.562   13.846  103.657   18.178  132.727   7.6979  117.140   11.452 15.58727 13.79842 
1 1 1  -44    2   63 o   34.406   14.513   5.0430   11.582   5.0430   11.582   0.0000   0.0000   34.406   14.513  ?   ?       ?      ? 
1 1 1  -44    2   65 o   41.316   15.446   13.465   11.642   0.0000   0.0000   13.465   11.642  ?   ?    41.316   15.446      ?      ? 
1 1 1  -44    2   66 o   50.508   16.157   22.714   12.500   0.0000   0.0000   22.714   12.500  ?   ?    50.508   16.157      ?      ? 
1 1 1  -44    2   67 o  125.489   10.746  119.795   18.274   0.0000   0.0000  119.795   18.274  ?   ?   125.489   10.746      ?      ? 
1 1 1  -44    2   68 o   63.712   15.715   36.057   13.483   0.0000   0.0000   36.057   13.483  ?   ?    63.712   15.715      ?      ? 
1 1 1  -44    3    1 o  101.607   5.2011   72.250   7.1253   71.807   10.597   72.615   9.6262  101.156   7.7305  102.058   6.9603 -0.9013519 10.40222 
1 1 1  -44    3    2 o  131.901   4.8297  120.815   8.6070  124.737   12.750  117.531   11.666  133.757   7.0343  130.046   6.6198 3.711609 9.659387 
1 1 1  -44    3    3 o  168.517   4.7425  197.669   10.798  193.301   15.782  201.514   14.806  166.580   6.9912  170.454   6.4099 -3.873566 9.484928 
1 1 1  -44    3    4 o  125.974   5.0220  110.261   8.5486  114.726   12.667  106.527   11.584  128.215   7.2907  123.732   6.9087 4.482712 10.04409 
1 1 1  -44    3    5 o  116.137   5.1175   93.679   8.0367   99.729   11.850   88.526   10.936  119.562   7.3136  112.713   7.1600 6.848145 10.23495 
1 1 1  -44    3    6 o   99.303   5.4682   68.938   7.3557   71.161   10.576   66.855   10.238  100.851   7.7383   97.755   7.7282 3.095131 10.93646 
1 1 1  -44    3    7 o  101.658   6.8007   75.154   8.8193   79.142   10.984   67.918   14.795  106.436   7.6154   96.880   11.270 9.555702 13.60135 
1 1 1  -44    3    8 o   43.923   9.6785   14.932   6.5013   17.686   8.0757   9.8588   10.959   48.304   12.303   39.543   14.944 8.761238 19.35707 
1 1 1  -44    3    9 o   90.095   5.7331   56.797   6.9941   58.796   10.139   54.983   9.6607   91.582   8.1696   88.607   8.0456 2.974655 11.46620 
1 1 1  -44    3   10 o  120.347   5.1509  101.013   8.3707   97.716   12.237  103.912   11.476  118.343   7.6304  122.351   6.9212 -4.008255 10.30177 
1 1 1  -44    3   11 o  186.867   6.0561  249.945   14.116  232.673   24.953  258.074   17.118  180.642   10.193  193.092   6.5421 -12.45000 12.11223 
1 1 1  -44    3   12 o  145.018   6.2535  152.749   11.233  135.351   19.800  161.006   13.640  137.529   10.624  152.507   6.6000 -14.97824 12.50707 
1 1 1  -44    3   13 o   86.444   8.1360   58.035   8.1432   45.505   14.504   63.803   9.8407   77.195   14.394   95.694   7.5886 -18.49886 16.27196 
1 1 1  -44    3   14 o  133.228   6.2961  122.168   10.426  131.934   19.274  118.128   12.396  135.969   10.460  130.487   7.0103 5.481705 12.59217 
1 1 1  -44    3   15 o   82.191   7.7013   47.122   7.8589   51.654   14.577   45.264   9.3313   84.058   12.797   80.324   8.5726 3.734726 15.40268 
1 1 1  -44    3   16 o  224.367   6.1382  356.065   17.699  362.410   21.957  344.293   29.906  228.543   7.0897  220.192   10.022 8.350510 12.27649 
1 1 1  -44    3   17 o  209.307   6.1764  312.149   16.557  322.826   20.566  292.479   27.915  215.757   7.0339  202.857   10.155 12.89990 12.35272 
1 1 1  -44    3   18 o   96.779   7.3646   66.540   9.1376   66.189   11.246   67.221   15.674   97.177   8.5402   96.380   12.001 0.7968369 14.72930 
1 1 1  -44    3   19 f  140.967   5.0963  137.815   9.7226  140.139   14.166  135.745   13.368  142.017   7.3606  139.916   7.0507 2.100723 10.19270 
1 1 1  -44    3   20 o  126.455   5.2657  111.527   8.9913  103.100   12.890  119.512   12.548  121.623   7.8208  131.288   7.0529 -9.665039 10.53135 
1 1 1  -44    3   21 o  104.590   5.7125   67.776   7.2438   58.503   8.3198   96.835   14.727   91.967   6.6758  117.213   9.2717 -25.24673 11.42498 
1 1 1  -44    3   22 o   88.674   6.7651   57.886   6.8685   60.271   7.9530   50.888   13.625   93.456   6.2797   83.892   11.985 9.564827 13.53020 
1 1 1  -44    3   23 o   97.295   6.0375   62.083   7.0477   57.593   8.1203   75.792   14.188   91.280   6.5647  103.310   10.135 -12.03030 12.07502 
1 1 1  -44    3   24 o  132.518   5.5399  119.128   8.7841  115.518   10.191  129.566   17.327  129.552   5.8046  135.484   9.4375 -5.931427 11.07974 
1 1 1  -44    3   25 o  141.364   5.6605  140.449   9.5282  141.590   11.131  137.320   18.432  143.456   5.7257  139.272   9.7663 4.184021 11.32091 
1 1 1  -44    3   26 o  104.703   6.3378   79.804   7.8408   83.081   9.2122   71.189   14.936  109.743   6.1945   99.664   11.059 10.07893 12.67565 
1 1 1  -44    3   27 o  212.495   5.4869  305.559   13.960  295.508   16.191  334.668   27.555  207.208   5.7662  217.782   9.3369 -10.57375 10.97388 
1 1 1  -44    3   28 o  227.566   5.5912  358.854   15.176  356.059   17.672  366.705   29.621  227.456   5.7332  227.675   9.6008 -0.2187958 11.18236 
1 1 1  -44    3   29 o   77.236   7.8714   45.894   6.7951   48.903   7.9709   37.892   12.999   83.968   7.0050   70.503   14.098 13.46474 15.74284 
1 1 1  -44    3   30 o  131.645   6.2303  122.447   10.811  124.587   13.863  119.127   17.270  133.709   7.6512  129.581   9.8349 4.127869 12.46060 
1 1 1  -44    3   31 o   61.478   9.0714   33.392   7.1502   14.323   12.554   42.549   8.6991   45.001   16.166   77.955   8.2347 -32.95417 18.14281 
1 1 1  -44    3   32 o  153.734   4.7553  163.605   9.9023  168.546   14.261  159.005   13.761  155.962   6.7475  151.506   6.7024 4.456131 9.510514 
1 1 1  -44    3   33 o  194.035   4.7537  260.879   12.499  263.570   17.808  258.266   17.546  195.011   6.7387  193.059   6.7067 1.951721 9.507375 
1 1 1  -44    3   34 o  121.419   6.2371  103.414   9.7572  102.414   12.052  105.317   16.622  121.288   7.3327  121.551   10.091 -0.2626953 12.47413 
1 1 1  -44    3   35 o   87.484   7.1763   54.517   8.0767   54.287   9.9809   54.953   13.747   87.925   8.3768   87.043   11.655 0.8814240 14.35266 
1 1 1  -44    3   36 o   50.106   10.837   19.418   8.1052   16.305   11.320   22.693   11.610   46.449   15.412   53.763   15.238 -7.313683 21.67347 
1 1 1  -44    3   37 o   93.094   5.8438   60.987   7.3560   58.087   10.574   63.707   10.240   90.812   8.5922   95.376   7.9229 -4.563568 11.68754 
1 1 1  -44    3   38 o   78.773   8.2084   47.756   7.9681   54.354   10.196   37.401   12.772   87.827   8.5665   69.720   14.004 18.10744 16.41676 
1 1 1  -44    3   39 o  112.452   5.3299   88.352   8.1205   89.820   11.626   86.953   11.347  113.350   7.5689  111.554   7.5062 1.795776 10.65980 
1 1 1  -44    3   40 o  123.949   5.1260  106.714   8.5911  115.359   12.650   99.314   11.705  128.583   7.2597  119.316   7.2389 9.266930 10.25204 
1 1 1  -44    3   41 o  169.737   4.8495  200.407   11.147  202.694   16.110  198.307   15.439  170.593   6.9686  168.881   6.7461 1.712128 9.699046 
1 1 1  -44    3   42 o  131.112   5.1045  119.858   9.0586  123.501   13.204  116.620   12.450  132.931   7.3300  129.294   7.1060 3.637375 10.20906 
1 1 1  -44    3   43 o   95.933   7.4609   70.453   8.5964   56.537   15.349   76.814   10.377   87.050   13.011  104.816   7.3055 -17.76553 14.92171 
1 1 1  -44    3   44 o   92.454   7.1681   59.117   8.2727   68.010   15.360   55.483   9.8185   96.202   11.782   88.706   8.1679 7.495827 14.33615 
1 1 1  -44    3   45 o  103.579   5.5297   74.891   7.7326   83.228   11.523   68.061   10.430  108.785   7.8165   98.372   7.8237 10.41386 11.05930 
1 1 1  -44    3   46 o   69.363   6.8993   34.488   6.4423   35.229   9.7159   33.908   8.6062   69.813   10.270   68.913   9.2157 0.9002533 13.79856 
1 1 1  -44    3   47 o  124.038   5.2311  108.159   8.7653  104.291   12.760  111.615   12.062  121.737   7.7348  126.340   7.0450 -4.602791 10.46225 
1 1 1  -44    3   48 o   99.292   5.7067   69.852   7.6481   66.985   11.169   72.384   10.495   97.154   8.4834  101.430   7.6352 -4.276276 11.41336 
1 1 1  -44    3   49 o  123.965   6.7076  113.562   10.276  101.695   18.173  119.138   12.458  117.483   11.415  130.446   7.0476 -12.96325 13.41518 
1 1 1  -44    3   50 o  166.231   6.2099  199.126   12.990  191.049   22.750  203.034   15.823  162.074   10.358  170.389   6.8527 -8.314758 12.41990 
1 1 1  -44    3   51 o   99.035   5.8741   69.579   7.8740   71.141   11.464   68.185   10.833  100.002   8.4597   98.068   8.1519 1.933563 11.74817 
1 1 1  -44    3   52 o  145.026   5.1640  148.434   10.105  134.950   14.427  161.417   14.157  138.241   7.7014  151.811   6.8817 -13.57051 10.32806 
1 1 1  -44    3   53 o   98.956   5.8066   69.689   7.7519   68.475   11.447   70.718   10.535   97.919   8.6267   99.992   7.7749 -2.072968 11.61330 
1 1 1  -44    3   54 o  166.099   5.0755  194.105   11.405  193.161   16.589  194.952   15.705  165.528   7.3953  166.670   6.9535 -1.141769 10.15101 
1 1 1  -44    3   55 o  205.703   7.2848  298.191   20.307  298.191   20.307   0.0000   0.0000  205.703   7.2848  ?   ?       ?      ? 
1 1 1  -44    3   56 o  133.087   7.7980  125.631   14.064  125.631   14.064   0.0000   0.0000  133.087   7.7980  ?   ?       ?      ? 
1 1 1  -44    3   57 f  255.144   6.3393  462.223   20.901  446.735   25.781  491.925   35.702  251.169   7.5743  259.120   10.167 -7.950714 12.67853 
1 1 1  -44    3   58 o  113.843   6.7641   93.406   10.112   90.757   12.758   97.883   16.586  112.613   8.3598  115.072   10.636 -2.458931 13.52815 
1 1 1  -44    3   59 o  153.214   6.2036  166.850   12.403  160.723   15.472  177.865   20.746  150.485   7.5869  155.942   9.8173 -5.457214 12.40726 
1 1 1  -44    3   60 o   44.792   10.348   16.546   7.4295   19.777   9.5978   11.716   11.735   49.270   13.816   40.315   15.409 8.955051 20.69619 
1 1 1  -44    3   61 o   51.130   10.356   21.491   7.3831   20.578   9.3359   23.017   12.063   50.341   13.435   51.918   15.762 -1.577049 20.71104 
1 1 1  -44    3   62 o   94.160   9.1006   69.861   11.393   61.103   16.910   77.143   15.418   87.245   14.303  101.075   11.257 -13.83015 18.20120 
1 1 1  -44    3   63 o   57.846   11.650   29.847   9.6245   26.765   14.678   32.171   12.748   54.281   17.523   61.412   15.358 -7.130981 23.30049 
1 1 1  -44    3   64 o  170.659   10.147  217.072   23.466   0.0000   0.0000  217.072   23.466  ?   ?   170.659   10.147      ?      ? 
1 1 1  -44    3   65 o   83.405   12.978   55.159   14.669   0.0000   0.0000   55.159   14.669  ?   ?    83.405   12.978      ?      ? 
1 1 1  -44    3   66 o   48.479   16.063   20.952   12.298   0.0000   0.0000   20.952   12.298  ?   ?    48.479   16.063      ?      ? 
1 1 1  -44    3   67 o  120.272   11.082  111.271   18.062   0.0000   0.0000  111.271   18.062  ?   ?   120.272   11.082      ?      ? 
1 1 1  -44    3   68 o  136.028   10.978  142.806   20.237   0.0000   0.0000  142.806   20.237  ?   ?   136.028   10.978      ?      ? 
1 1 1  -44    4    1 o  128.103   4.7849  113.986   8.2310  117.200   12.582  111.582   10.883  129.457   7.1719  126.749   6.3361 2.707268 9.569861 
1 1 1  -44    4    2 o  128.501   4.8205  115.701   8.3022  110.238   12.523  119.986   11.090  125.482   7.3642  131.520   6.2222 -6.037552 9.640930 
1 1 1  -44    4    3 o  119.349   4.9256   99.764   7.8985   95.582   11.813  103.145   10.622  116.827   7.4619  121.870   6.4316 -5.043709 9.851115 
1 1 1  -44    4    4 o  129.262   4.8750  116.203   8.4787  118.072   12.813  114.747   11.308  129.984   7.2743  128.539   6.4921 1.444687 9.750060 
1 1 1  -44    4    5 o  103.994   5.3590   73.313   7.3840   99.327   11.537   55.261   9.6104  119.317   7.1350   88.670   7.9980 30.64731 10.71805 
1 1 1  -44    4    6 o   83.083   5.7786   48.366   6.4563   50.149   9.8214   47.008   8.5677   84.261   8.6013   81.905   7.7192 2.356018 11.55717 
1 1 1  -44    4    7 o  129.171   4.9136  115.956   8.5720  118.298   12.704  113.999   11.614  130.241   7.1979  128.101   6.6906 2.140427 9.827184 
1 1 1  -44    4    8 o  149.965   4.8010  156.756   9.7130  150.376   14.243  162.301   13.280  146.897   7.1548  153.033   6.4038 -6.135696 9.602089 
1 1 1  -44    4    9 o  105.297   5.2848   77.448   7.5122   77.184   11.102   77.671   10.203  104.991   7.8032  105.603   7.1293 -0.6126480 10.56963 
1 1 1  -44    4   10 o   48.056   8.6578   17.653   5.6809   15.331   8.3224   19.679   7.7735   44.910   12.957   51.202   11.486 -6.292007 17.31552 
1 1 1  -44    4   11 o  150.432   4.8411  157.659   9.8342  148.996   14.245  165.548   13.594  146.285   7.1857  154.579   6.4893 -8.294815 9.682199 
1 1 1  -44    4   12 o   68.093   8.6750   36.181   7.3334   40.828   9.2515   28.325   12.029   76.023   8.9802   60.164   14.845 15.85856 17.34996 
1 1 1  -44    4   13 o   49.985   9.6869   19.666   6.7481   21.823   8.5280   16.053   11.036   53.840   11.996   46.130   15.213 7.709801 19.37381 
1 1 1  -44    4   14 o   76.665   6.3299   41.443   6.5498   41.845   9.7225   41.109   8.8627   76.873   9.3330   76.458   8.5538 0.4154510 12.65988 
1 1 1  -44    4   15 o   97.536   5.5732   66.228   7.3418   69.911   10.935   63.205   9.9068   99.920   8.0756   95.153   7.6830 4.766785 11.14643 
1 1 1  -44    4   16 o   68.726   6.9622   33.119   6.4254   40.021   9.6835   27.690   8.5884   75.145   9.5094   62.308   10.171 12.83655 13.92434 
1 1 1  -44    4   17 o  188.256   4.8715  245.939   12.404  245.121   18.085  246.666   17.045  187.820   7.1056  188.692   6.6660 -0.8726807 9.742952 
1 1 1  -44    4   18 o   78.942   6.3558   43.874   6.7831   44.870   9.9840   43.020   9.2442   79.683   9.2461   78.200   8.7233 1.482437 12.71167 
1 1 1  -44    4   19 o   90.942   5.9720   58.654   7.2734   51.521   10.648   64.894   9.9591   85.409   9.1995   96.474   7.6178 -11.06414 11.94406 
1 1 1  -44    4   20 o  115.489   5.9357   91.961   9.2896   91.961   9.2896   0.0000   0.0000  115.489   5.9357  ?   ?       ?      ? 
1 1 1  -44    4   21 o  174.410   5.5502  209.271   13.118  209.271   13.118   0.0000   0.0000  174.410   5.5502  ?   ?       ?      ? 
1 1 1  -44    4   22 o  156.970   5.2827  166.174   10.013  159.908   11.659  183.790   19.549  152.420   5.6447  161.520   8.9312 -9.100479 10.56546 
1 1 1  -44    4   23 o  171.488   5.3881  207.156   11.139  209.891   13.121  200.095   21.077  174.671   5.5431  168.304   9.2413 6.367767 10.77626 
1 1 1  -44    4   24 o  121.414   5.5685  100.850   8.1823   98.297   9.5682  107.797   15.784  119.409   5.9130  123.419   9.4377 -4.009644 11.13706 
1 1 1  -44    4   25 f   89.428   6.3768   56.712   6.8221   57.113   7.9933   55.636   13.091   90.857   6.4921   88.000   10.978 2.857117 12.75369 
1 1 1  -44    4   26 o   87.068   6.2578   50.650   6.7151   47.078   7.8740   60.175   12.859   82.331   7.0575   91.806   10.336 -9.474968 12.51562 
1 1 1  -44    4   27 o  194.037   5.4182  263.184   12.708  263.866   14.952  261.411   24.120  195.774   5.6357  192.300   9.2557 3.474762 10.83646 
1 1 1  -44    4   28 o   57.661   8.6661   27.302   6.1239   31.082   7.2869   18.212   11.299   66.634   8.0699   48.688   15.339 17.94613 17.33214 
1 1 1  -44    4   29 o  100.677   6.5865   73.409   8.4428   77.292   10.491   66.272   14.223  105.356   7.3482   95.999   10.933 9.356606 13.17290 
1 1 1  -44    4   30 o   77.010   7.2863   39.187   7.3073   30.469   8.9774   56.303   12.579   65.342   10.139   88.677   10.468 -23.33504 14.57254 
1 1 1  -44    4   31 o   59.187   9.8820   26.614   7.8821   19.790   10.628   34.955   11.750   50.507   14.663   67.866   13.252 -17.35934 19.76402 
1 1 1  -44    4   32 o   64.688   7.8694   27.585   6.3726   22.423   7.5799   40.030   11.769   55.152   10.526   74.224   11.701 -19.07233 15.73874 
1 1 1  -44    4   33 f  157.868   7.0216  178.363   14.962  167.213   21.635  188.583   20.714  152.694   10.456  163.043   9.3750 -10.34851 14.04311 
1 1 1  -44    4   34 o   55.180   7.8568   21.913   5.7553   29.644   8.7356   15.983   7.6505   64.420   10.007   45.940   12.115 18.48046 15.71354 
1 1 1  -44    4   35 o  100.827   5.3471   71.228   7.2843   67.647   10.528   74.516   10.089   98.247   7.9075  103.408   7.1998 -5.161400 10.69421 
1 1 1  -44    4   36 o  151.679   4.8335  159.928   9.9229  160.206   14.395  159.676   13.697  151.710   7.0019  151.648   6.6652 0.6187439E-01 9.667006 
1 1 1  -44    4   37 o  128.856   5.0093  115.550   8.7320  118.062   12.781  113.352   11.958  130.083   7.2504  127.629   6.9140 2.454247 10.01852 
1 1 1  -44    4   38 o   71.435   6.6000   36.522   6.3304   34.282   9.4170   38.368   8.5507   69.155   10.049   73.716   8.5597 -4.560738 13.20010 
1 1 1  -44    4   39 f  102.743   7.6998   76.553   10.695   75.067   15.561   77.883   14.723  101.536   11.310  103.951   10.452 -2.414841 15.39955 
1 1 1  -44    4   40 o  130.509   7.1942  122.370   12.717  127.447   18.305  117.634   17.680  133.144   10.145  127.874   10.203 5.270126 14.38833 
1 1 1  -44    4   41 o  121.103   6.3479  101.610   9.6863  111.423   17.522   97.292   11.624  124.242   10.407  117.963   7.2714 6.279068 12.69584 
1 1 1  -44    4   42 o  135.718   5.0427  128.857   9.2513  126.107   13.476  131.309   12.723  134.182   7.4114  137.253   6.8402 -3.071625 10.08548 
1 1 1  -44    4   43 o  123.736   5.2280  106.479   8.7329  117.596   13.043   97.444   11.758  129.526   7.4306  117.947   7.3561 11.57983 10.45591 
1 1 1  -44    4   44 o  109.470   5.4688   84.363   8.0791   83.348   11.933   85.222   10.978  108.666   8.1037  110.275   7.3459 -1.608963 10.93769 
1 1 1  -44    4   45 o  155.491   4.9783  168.764   10.461  173.074   15.453  165.119   14.212  157.170   7.2554  153.812   6.8186 3.358719 9.956606 
1 1 1  -44    4   46 o  107.442   5.6033   81.861   8.1048   76.678   11.904   86.339   11.066  103.964   8.4492  110.920   7.3621 -6.956528 11.20665 
1 1 1  -44    4   47 o  144.848   5.0967  147.064   9.9854  147.898   14.588  146.328   13.697  145.089   7.4195  144.607   6.9897 0.4822845 10.19336 
1 1 1  -44    4   48 o   55.519   8.2774   23.601   6.1168   19.630   9.0361   26.959   8.3104   50.030   13.154   61.009   10.052 -10.97910 16.55486 
1 1 1  -44    4   49 o  115.089   5.4203   94.025   8.3909   84.617   12.158  102.581   11.595  109.220   8.2146  120.958   7.0738 -11.73873 10.84056 
1 1 1  -44    4   50 o   78.714   7.9135   44.136   7.7392   49.818   14.389   41.823   9.1802   80.959   13.115   76.470   8.8589 4.488800 15.82707 
1 1 1  -44    4   51 o  208.855   6.1586  308.199   16.105  321.091   29.086  302.499   19.340  209.922   10.224  207.789   6.8683 2.133072 12.31712 
1 1 1  -44    4   52 o   63.380   9.3789   33.303   7.7879   40.846   10.092   22.199   12.245   74.972   9.9333   51.788   15.912 23.18412 18.75772 
1 1 1  -44    4   53 o   91.791   7.2212   61.521   8.7357   61.478   11.164   61.589   14.030   92.549   8.9013   91.034   11.373 1.514961 14.44242 
1 1 1  -44    4   54 o   74.623   8.2117   40.442   8.1624   35.443   10.434   48.327   13.104   69.127   11.138   80.118   12.069 -10.99123 16.42341 
1 1 1  -44    4   55 o   88.088   7.4783   56.349   8.6944   53.666   11.014   60.785   14.164   86.060   9.4438   90.116   11.598 -4.055870 14.95668 
1 1 1  -44    4   56 o   92.126   9.1583   61.337   11.433   61.337   11.433   0.0000   0.0000   92.126   9.1583  ?   ?       ?      ? 
1 1 1  -44    4   57 o  107.277   8.4973   82.552   12.353   82.552   12.353   0.0000   0.0000  107.277   8.4973  ?   ?       ?      ? 
1 1 1  -44    4   58 o  135.132   6.4638  133.121   11.403  135.656   14.448  128.934   18.571  138.109   7.7199  132.154   10.370 5.955231 12.92767 
1 1 1  -44    4   59 o   94.744   7.3950   65.789   9.1865   63.629   11.560   69.493   15.134   93.634   9.1104   95.853   11.651 -2.218910 14.78993 
1 1 1  -44    4   60 o  101.010   8.8865   80.263   11.804   64.555   17.396   93.666   16.069   89.849   14.288  112.172   10.571 -22.32373 17.77308 
1 1 1  -44    4   61 o  119.221   8.0419  107.946   12.888  104.697   19.235  110.593   17.361  116.682   12.165  121.759   10.522 -5.076942 16.08389 
1 1 1  -44    4   62 o   98.701   9.0076   77.323   11.737   63.879   17.306   88.773   15.971   88.816   14.379  108.585   10.854 -19.76849 18.01513 
1 1 1  -44    4   63 f  159.535   7.7401  194.085   16.557  175.067   24.242  210.712   22.668  150.674   11.873  168.396   9.9335 -17.72202 15.48023 
1 1 1  -44    4   64 o   50.189   11.831   22.857   9.4766   20.705   14.424   24.492   12.570   47.976   17.317   52.401   16.125 -4.425034 23.66257 
1 1 1  -44    4   65 o   97.905   12.039   74.943   15.973   0.0000   0.0000   74.943   15.973  ?   ?    97.905   12.039      ?      ? 
1 1 1  -44    4   66 o   79.713   14.279   53.396   14.858   0.0000   0.0000   53.396   14.858  ?   ?    79.713   14.279      ?      ? 
1 1 1  -44    4   67 o  103.277   12.054   84.450   16.870   0.0000   0.0000   84.450   16.870  ?   ?   103.277   12.054      ?      ? 
1 1 1  -44    4   68 o   43.269   16.205   16.730   12.826   0.0000   0.0000   16.730   12.826  ?   ?    43.269   16.205      ?      ? 
1 1 1  -44    4   69 o   95.461   13.011   75.104   16.831   0.0000   0.0000   75.104   16.831  ?   ?    95.461   13.011      ?      ? 
1 1 1  -44    5    1 o  120.660   7.3131  102.113   11.958  102.113   11.958   0.0000   0.0000  120.660   7.3131  ?   ?       ?      ? 
1 1 1  -44    5    2 o   39.033   12.682   11.352   7.6802   11.352   7.6802   0.0000   0.0000   39.033   12.682  ?   ?       ?      ? 
1 1 1  -44    5    3 o  129.380   7.1370  117.099   12.513  117.099   12.513   0.0000   0.0000  129.380   7.1370  ?   ?       ?      ? 
1 1 1  -44    5    4 o   82.008   5.7638   48.760   6.1814   41.087   9.5909   54.212   8.0846   75.825   9.3339   88.191   6.7648 -12.36563 11.52752 
1 1 1  -44    5    5 o  133.746   4.8322  124.885   8.6401  123.540   13.304  125.865   11.362  132.803   7.3925  134.689   6.2252 -1.885727 9.664456 
1 1 1  -44    5    6 o   46.015   8.3043   16.268   5.1348   14.966   8.2351   17.096   6.5678   44.174   12.931   47.857   10.423 -3.683037 16.60850 
1 1 1  -44    5    7 o   98.578   5.3365   68.476   6.9989   65.927   10.860   70.287   9.1534   96.663   8.2906  100.493   6.7214 -3.830513 10.67290 
1 1 1  -44    5    8 o   73.487   6.1381   37.965   6.0074   39.651   9.4859   36.836   7.7624   74.573   9.3867   72.400   7.9117 2.172882 12.27624 
1 1 1  -44    5    9 o   96.667   5.4061   66.486   6.9429   58.928   10.516   72.327   9.2443   91.346   8.4950  101.989   6.6886 -10.64334 10.81215 
1 1 1  -44    5   10 f  138.142   4.8299  132.233   8.9825  137.599   13.605  128.086   11.960  140.443   7.1483  135.841   6.4971 4.601807 9.659728 
1 1 1  -44    5   11 o   53.320   7.8333   21.937   5.4892   15.837   8.4181   26.449   7.2402   45.483   13.005   61.157   8.7362 -15.67306 15.66660 
1 1 1  -44    5   12 o  103.496   5.3579   75.075   7.4380   73.902   11.295   75.973   9.8837  102.535   8.1288  104.457   6.9823 -1.922142 10.71588 
1 1 1  -44    5   13 o  137.344   4.9214  131.464   9.1128  129.402   13.523  133.179   12.333  136.159   7.3292  138.530   6.5699 -2.371658 9.842802 
1 1 1  -44    5   14 o  139.429   4.9352  135.746   9.2768  129.919   13.644  140.756   12.651  136.420   7.3804  142.439   6.5541 -6.019257 9.870478 
1 1 1  -44    5   15 o   97.699   5.6831   67.381   7.4645   62.861   11.025   71.206   10.143   94.404   8.6179  100.994   7.4111 -6.590012 11.36628 
1 1 1  -44    5   16 o   73.861   7.5884   39.089   7.5114   37.911   9.8606   40.717   11.594   72.835   9.9904   74.887   11.425 -2.051926 15.17671 
1 1 1  -44    5   17 o   94.146   6.8057   63.767   8.4734   66.766   11.034   59.458   13.229   97.429   8.3572   90.862   10.744 6.567207 13.61133 
1 1 1  -44    5   18 o   64.471   7.5245   30.383   6.3726   28.951   9.4595   31.573   8.6228   62.307   11.631   66.634   9.5492 -4.327904 15.04907 
1 1 1  -44    5   19 o   86.772   6.2894   53.357   6.5960   53.583   7.7698   52.774   12.480   87.924   6.5211   85.619   10.756 2.304520 12.57872 
1 1 1  -44    5   20 o  179.561   5.2691  224.630   11.424  224.211   13.418  225.732   21.784  180.451   5.4871  178.670   8.9969 1.780472 10.53813 
1 1 1  -44    5   21 o  127.928   5.5450  116.069   8.6624  118.239   10.304  110.840   15.995  130.918   5.8081  124.937   9.4475 5.981285 11.09004 
1 1 1  -44    5   22 o  188.077   5.6404  247.924   13.688  248.088   16.974  247.618   23.144  189.133   6.6228  187.022   9.1320 2.110229 11.28076 
1 1 1  -44    5   23 o  124.245   7.0476  107.389   11.866  107.389   11.866   0.0000   0.0000  124.245   7.0476  ?   ?       ?      ? 
1 1 1  -44    5   24 o  187.773   6.6356  244.567   16.885  244.567   16.885   0.0000   0.0000  187.773   6.6356  ?   ?       ?      ? 
1 1 1  -44    5   25 o   73.515   8.4952   45.895   7.2740   59.952   9.2616   23.266   11.751   92.714   7.3716   54.317   15.308 38.39656 16.99036 
1 1 1  -44    5   26 o   60.779   9.4071   28.373   7.5246   29.750   10.335   26.818   10.977   62.719   12.597   58.839   13.975 3.879559 18.81424 
1 1 1  -44    5   27 o   76.321   8.7016   43.368   8.2776   23.579   11.128   67.877   12.385   54.854   14.681   97.788   9.3458 -42.93389 17.40321 
1 1 1  -44    5   28 o   76.487   7.3664   43.847   6.5616   45.884   7.8100   38.960   12.098   81.178   7.0996   71.796   12.909 9.381828 14.73285 
1 1 1  -44    5   29 o  112.409   5.6274   82.416   7.8904   73.764   9.2809  104.975   14.986  103.090   6.6434  121.729   9.0849 -18.63824 11.25478 
1 1 1  -44    5   30 o  141.249   5.4936  139.075   9.5453  138.179   11.334  141.260   17.702  141.436   5.9136  141.063   9.2601 0.3731079 10.98726 
1 1 1  -44    5   31 o  134.804   5.5592  126.926   9.2514  126.256   11.017  128.528   17.039  135.140   6.0157  134.468   9.3504 0.6717682 11.11844 
1 1 1  -44    5   32 o  101.539   6.1574   69.009   7.6822   64.100   8.9895   82.301   14.793   95.974   6.9119  107.104   10.192 -11.12992 12.31476 
1 1 1  -44    5   33 o   46.064   9.2113   14.231   5.7523   10.190   6.9056   23.390   10.397   37.361   12.015   54.767   13.965 -17.40644 18.42265 
1 1 1  -44    5   34 o  143.306   6.0896  145.955   11.612  150.030   15.205  140.251   17.988  146.332   7.6676  140.280   9.4625 6.052490 12.17914 
1 1 1  -44    5   35 o   89.296   9.5542   60.921   10.737   57.756   17.636   62.784   13.535   85.419   15.819   93.173   10.719 -7.753883 19.10849 
1 1 1  -44    5   36 o   68.606   8.6605   37.711   7.0761   28.677   12.412   42.061   8.6129   59.960   15.242   77.251   8.2273 -17.29147 17.32093 
1 1 1  -44    5   37 o  114.910   5.2345   92.941   8.0884   87.069   11.954   97.899   10.985  111.274   7.9275  118.547   6.8379 -7.272194 10.46909 
1 1 1  -44    5   38 o   38.011   8.9389   10.511   5.3536   10.609   8.1433   10.437   7.1047   38.335   13.074   37.687   12.194 0.6481209 17.87789 
1 1 1  -44    5   39 o  133.776   5.0194  125.590   9.0520  117.522   13.197  132.757   12.439  129.452   7.5230  138.100   6.6469 -8.648590 10.03870 
1 1 1  -44    5   40 o   81.918   6.1006   47.553   6.7390   48.015   10.052   47.175   9.0822   82.103   9.0350   81.733   8.1999 0.3690872 12.20119 
1 1 1  -44    5   41 o  116.178   6.5235   97.483   9.8628  100.739   12.487   92.083   16.082  119.694   7.6983  112.662   10.534 7.032219 13.04693 
1 1 1  -44    5   42 o   41.326   10.069   12.767   6.8455   14.325   8.7248   10.272   11.041   43.173   13.459   39.479   14.981 3.693672 20.13840 
1 1 1  -44    5   43 o  125.304   5.2383  110.620   8.8593  102.588   12.757  118.102   12.313  120.656   7.8023  129.952   6.9918 -9.295471 10.47666 
1 1 1  -44    5   44 o   90.245   5.9235   57.287   7.2100   62.906   10.859   52.857   9.6419   94.102   8.5156   86.388   8.2362 7.714622 11.84700 
1 1 1  -44    5   45 o  113.934   5.4175   91.461   8.3196   91.440   12.410   91.477   11.212  113.693   8.0550  114.176   7.2465 -0.4830780 10.83492 
1 1 1  -44    5   46 o   79.660   6.3304   45.209   6.7806   46.699   10.308   44.072   9.0022   80.580   9.4402   78.741   8.4366 1.839157 12.66074 
1 1 1  -44    5   47 o   87.677   6.3347   53.062   7.2624   76.768   11.367   36.708   9.4408  104.099   8.0575   71.255   9.7771 32.84409 12.66944 
1 1 1  -44    5   48 o   88.006   6.1784   55.280   7.3085   55.770   11.067   54.901   9.7326   88.064   9.2737   87.948   8.1662 0.1167984 12.35672 
1 1 1  -44    5   49 o  113.224   6.5469   92.888   9.7890   95.442   12.645   89.068   15.464  115.992   8.0448  110.456   10.331 5.536629 13.09380 
1 1 1  -44    5   50 o   64.907   9.2311   33.510   7.7916   37.498   10.174   27.854   12.117   71.543   10.494   58.270   15.190 13.27229 18.46212 
1 1 1  -44    5   51 o  113.916   7.8299   97.311   11.854   79.846   17.154  113.273   16.400  102.862   12.307  124.970   9.6840 -22.10797 15.65982 
1 1 1  -44    5   52 o  110.534   7.8929   90.869   11.764   88.013   17.308   93.322   16.038  108.363   11.787  112.705   10.501 -4.341789 15.78575 
1 1 1  -44    5   53 o   42.455   9.8379   14.221   7.0543   19.604   9.0907   6.0730   11.184   49.580   13.269   35.329   14.528 14.25032 19.67579 
1 1 1  -44    5   54 o  117.078   6.4776   97.480   10.009   92.291   12.657  106.139   16.352  113.704   8.2147  120.453   10.018 -6.749344 12.95523 
1 1 1  -44    5   55 o   58.711   9.5237   28.183   7.5216   32.086   9.7450   22.430   11.830   65.697   10.946   51.724   15.588 13.97264 19.04735 
1 1 1  -44    5   56 o   67.336   9.1133   36.389   7.8190   39.696   9.9898   31.160   12.563   73.536   10.025   61.136   15.222 12.39954 18.22660 
1 1 1  -44    5   57 o  118.149   11.767  105.742   18.839  105.742   18.839   0.0000   0.0000  118.149   11.767  ?   ?       ?      ? 
1 1 1  -44    5   58 o   62.777   10.567   33.799   9.9209   15.637   14.301   50.648   13.774   44.501   17.010   81.053   12.541 -36.55128 21.13313 
1 1 1  -44    5   59 o   78.752   10.067   50.650   10.346   45.313   15.409   55.032   13.960   72.869   16.039   84.635   12.172 -11.76604 20.13450 
1 1 1  -44    5   60 o   41.429   10.767   12.241   8.9223  -0.0393   13.641   21.423   11.795   32.975   14.777   49.883   15.665 -16.90757 21.53471 
1 1 1  -44    5   61 o  134.793   7.9422  138.871   14.386  124.182   20.748  152.474   19.965  126.738   12.080  142.848   10.314 -16.11005 15.88437 
1 1 1  -44    5   62 f   74.188   10.816   47.427   10.629   38.669   15.682   54.871   14.457   64.968   17.444   83.409   12.791 -18.44124 21.63119 
1 1 1  -44    5   63 o   43.496   11.242   14.581   9.1108   24.244   13.402   6.2772   12.423   51.543   16.753   35.449   14.996 16.09355 22.48470 
1 1 1  -44    5   64 o   58.223   11.446   31.083   9.9400   19.824   14.173   41.983   13.945   46.761   17.122   69.685   15.195 -22.92412 22.89217 
1 1 1  -44    5   65 o   87.645   13.429   62.684   15.950   0.0000   0.0000   62.684   15.950  ?   ?    87.645   13.429      ?      ? 
1 1 1  -44    5   66 o  104.492   12.435   87.536   17.608   0.0000   0.0000   87.536   17.608  ?   ?   104.492   12.435      ?      ? 
1 1 1  -44    5   67 o  107.241   12.515   93.083   18.187   0.0000   0.0000   93.083   18.187  ?   ?   107.241   12.515      ?      ? 
1 1 1  -44    5   68 o  125.839   11.725  126.535   19.995   0.0000   0.0000  126.535   19.995  ?   ?   125.839   11.725      ?      ? 
1 1 1  -44    5   69 o  108.564   12.392   96.686   18.231   0.0000   0.0000   96.686   18.231  ?   ?   108.564   12.392      ?      ? 
1 1 1  -44    6    1 o   41.606   12.734   13.307   7.8518   13.307   7.8518   0.0000   0.0000   41.606   12.734  ?   ?       ?      ? 
1 1 1  -44    6    2 o  132.603   7.2132  123.391   12.962  123.391   12.962   0.0000   0.0000  132.603   7.2132  ?   ?       ?      ? 
1 1 1  -44    6    3 o  157.381   7.0324  173.441   14.998  173.441   14.998   0.0000   0.0000  157.381   7.0324  ?   ?       ?      ? 
1 1 1  -44    6    4 o  113.799   7.5868   91.119   11.700   91.119   11.700   0.0000   0.0000  113.799   7.5868  ?   ?       ?      ? 
1 1 1  -44    6    5 o   81.549   8.7351   47.326   9.6532   47.326   9.6532   0.0000   0.0000   81.549   8.7351  ?   ?       ?      ? 
1 1 1  -44    6    6 o  189.416   7.0058  250.865   17.983  250.865   17.983   0.0000   0.0000  189.416   7.0058  ?   ?       ?      ? 
1 1 1  -44    6    7 o  167.397   7.0947  196.010   16.094  196.010   16.094   0.0000   0.0000  167.397   7.0947  ?   ?       ?      ? 
1 1 1  -44    6    8 o  136.801   7.4485  131.277   13.808  131.277   13.808   0.0000   0.0000  136.801   7.4485  ?   ?       ?      ? 
1 1 1  -44    6    9 o  160.165   4.7897  177.882   10.262  184.714   15.956  173.064   13.400  162.448   7.2483  157.883   6.2631 4.564880 9.579370 
1 1 1  -44    6   10 f  176.075   5.9557  221.366   12.750  214.285   23.754  224.232   15.111  172.374   10.169  179.777   6.2027 -7.402390 11.91150 
1 1 1  -44    6   11 o  150.766   5.9332  154.188   10.816  175.609   21.170  146.621   12.582  156.247   9.9984  145.285   6.3907 10.96141 11.86631 
1 1 1  -44    6   12 o  143.455   5.9436  139.318   10.405  160.037   20.105  131.738   12.160  149.247   9.9407  137.662   6.5184 11.58504 11.88729 
1 1 1  -44    6   13 o  172.996   6.0790  215.639   12.801  202.492   23.601  221.120   15.238  167.475   10.399  178.517   6.2988 -11.04272 12.15802 
1 1 1  -44    6   14 o  148.854   6.0810  155.890   11.045  158.880   20.742  154.706   13.048  148.460   10.310  149.249   6.4515 -0.7891541 12.16207 
1 1 1  -44    6   15 o   70.170   8.8183   38.262   7.1188   33.960   13.602   39.884   8.3542   65.110   15.617   75.229   8.1948 -10.11968 17.63655 
1 1 1  -44    6   16 o   54.551   8.2275   22.561   5.8293   21.716   9.0330   23.165   7.6309   53.169   12.709   55.933   10.452 -2.763969 16.45507 
1 1 1  -44    6   17 f  176.018   5.7213  218.661   13.361  221.314   17.306  214.745   21.021  178.045   7.1726  173.990   8.9156 4.054825 11.44264 
1 1 1  -44    6   18 o  122.261   5.3913  101.505   8.0978   97.244   9.5271  112.598   15.371  118.580   5.9288  125.943   9.0064 -7.362358 10.78266 
1 1 1  -44    6   19 o  172.174   5.7979  209.927   13.219  214.743   17.116  202.809   20.810  175.380   7.2020  168.967   9.0882 6.412796 11.59583 
1 1 1  -44    6   20 o  207.563   5.3149  297.743   13.368  293.053   15.682  310.211   25.568  206.077   5.6154  209.049   9.0254 -2.972275 10.62975 
1 1 1  -44    6   21 o  142.082   5.2280  135.891   9.1784  128.758   10.817  154.231   17.345  136.495   5.8480  147.668   8.6676 -11.17320 10.45595 
1 1 1  -44    6   22 o  138.478   6.4110  135.938   12.014  126.512   16.658  146.156   17.344  133.378   9.2166  143.578   8.9141 -10.20070 12.82210 
1 1 1  -44    6   23 o  141.482   5.4265  140.984   9.4794  142.059   11.328  138.473   17.315  143.380   5.8300  139.583   9.1540 3.797409 10.85291 
1 1 1  -44    6   24 o  208.063   5.3058  295.518   13.485  286.000   15.838  320.600   25.711  203.497   5.7434  212.630   8.9229 -9.132889 10.61159 
1 1 1  -44    6   25 o  158.639   5.6915  173.756   12.235  173.756   12.235   0.0000   0.0000  158.639   5.6915  ?   ?       ?      ? 
1 1 1  -44    6   26 o  113.969   6.1413   89.961   9.4848   89.961   9.4848   0.0000   0.0000  113.969   6.1413  ?   ?       ?      ? 
1 1 1  -44    6   27 o  177.720   5.2666  217.449   11.461  212.739   13.516  229.504   21.623  175.528   5.6822  179.911   8.8691 -4.383759 10.53321 
1 1 1  -44    6   28 o   58.077   7.9157   21.942   5.8154   15.904   6.9604   35.900   10.583   45.894   11.273   70.259   11.115 -24.36502 15.83147 
1 1 1  -44    6   29 o   88.444   6.6460   54.676   7.8177   50.273   9.9858   61.647   12.565   84.234   8.7481   92.654   10.007 -8.420395 13.29197 
1 1 1  -44    6   30 f  150.569   5.7504  154.899   11.390  140.882   14.233  179.865   18.995  141.877   7.4029  159.262   8.8014 -17.38492 11.50073 
1 1 1  -44    6   31 o  182.824   5.8044  234.021   13.967  228.641   17.682  242.947   22.774  180.867   7.2143  184.782   9.0950 -3.915237 11.60885 
1 1 1  -44    6   32 o  146.638   5.4762  150.053   9.9628  148.594   11.895  153.485   18.236  146.491   5.9918  146.785   9.1681 -0.2934723 10.95242 
1 1 1  -44    6   33 o  148.281   5.6572  159.795   10.328  167.970   12.476  142.000   18.407  155.780   5.9100  140.782   9.6482 14.99803 11.31448 
1 1 1  -44    6   34 o  184.426   5.4273  236.920   12.322  234.140   14.622  243.730   22.886  183.932   5.8665  184.920   9.1328 -0.9878845 10.85461 
1 1 1  -44    6   35 o  163.787   5.4601  188.391   11.108  188.135   13.302  188.980   20.189  164.803   5.9562  162.771   9.1529 2.031769 10.92022 
1 1 1  -44    6   36 o  145.507   6.0409  148.275   11.781  138.340   15.371  162.421   18.342  139.997   8.1020  151.017   8.9625 -11.02075 12.08171 
1 1 1  -44    6   37 o  162.420   5.4291  180.743   11.053  173.220   13.204  198.365   20.208  157.969   6.1680  166.871   8.9363 -8.901276 10.85824 
1 1 1  -44    6   38 o  185.790   5.7593  240.385   13.992  230.615   17.476  257.824   23.351  181.530   7.1043  190.049   9.0667 -8.519318 11.51853 
1 1 1  -44    6   39 o   75.050   6.5701   39.857   6.5668   51.094   9.8214   30.772   8.8310   84.820   8.5447   65.281   9.9826 19.53921 13.14013 
1 1 1  -44    6   40 o  119.479   5.2024  100.064   8.4009  102.328   12.393   98.139   11.427  120.597   7.5832  118.360   7.1244 2.236893 10.40486 
1 1 1  -44    6   41 o  161.104   4.9195  181.727   10.708  180.099   15.711  183.139   14.634  160.220   7.2363  161.987   6.6666 -1.766251 9.839047 
1 1 1  -44    6   42 o  128.960   6.2349  115.893   10.493  108.706   13.019  129.217   17.726  124.139   7.7392  133.780   9.7776 -9.641174 12.46983 
1 1 1  -44    6   43 o   50.791   10.153   19.890   7.1892   16.542   9.1881   25.175   11.545   45.855   13.719   55.727   14.969 -9.872025 20.30523 
1 1 1  -44    6   44 o  103.586   5.6530   76.456   7.8714   70.888   11.596   81.213   10.719   99.726   8.5808  107.445   7.3619 -7.718315 11.30604 
1 1 1  -44    6   45 o   64.234   9.0969   33.199   7.5526   38.925   9.8284   24.941   11.802   73.267   9.8990   55.200   15.265 18.06745 18.19388 
1 1 1  -44    6   46 o   81.654   7.5037   48.893   8.1496   49.016   10.600   48.715   12.744   82.397   9.4933   80.912   11.623 1.485428 15.00736 
1 1 1  -44    6   47 o   58.609   9.3822   27.923   7.4647   33.970   9.8530   19.777   11.436   67.996   10.693   49.223   15.419 18.77268 18.76438 
1 1 1  -44    6   48 o  133.822   6.2151  126.640   10.988  120.806   13.936  136.227   17.865  130.523   7.8788  137.121   9.6143 -6.597397 12.43017 
1 1 1  -44    6   49 o   71.871   8.8748   40.469   8.1424   43.980   10.577   35.359   12.757   77.632   10.054   66.109   14.628 11.52313 17.74957 
1 1 1  -44    6   50 o  172.405   6.0881  213.870   13.764  216.959   17.513  208.879   22.261  175.289   7.3728  169.520   9.6903 5.768875 12.17619 
1 1 1  -44    6   51 o   31.323   9.2790   3.2402   6.7295   6.0226   8.8835  -0.5068   10.309   33.153   13.192   29.493   13.053 3.660368 18.55793 
1 1 1  -44    6   52 o   37.474   10.574   8.4018   8.0204   9.6811   12.290   7.4529   10.585   39.037   15.522   35.912   14.363 3.125164 21.14770 
1 1 1  -44    6   53 o  131.394   6.2446  121.647   10.834  112.548   13.659  137.083   17.791  125.609   8.0243  137.180   9.5704 -11.57096 12.48923 
1 1 1  -44    6   54 o   33.637   10.095   4.0630   7.9558   2.4742   12.412   5.1709   10.365   33.640   14.620   33.635   13.924 0.4753113E-02 20.18960 
1 1 1  -44    6   55 o   69.576   10.508   39.445   9.5519   44.560   14.525   35.548   12.679   73.409   15.105   65.743   14.611 7.665581 21.01509 
1 1 1  -44    6   56 o   48.058   11.338   19.734   8.7834   16.172   13.338   22.461   11.671   44.712   16.569   51.404   15.481 -6.692352 22.67609 
1 1 1  -44    6   57 o   36.136   15.268   6.0092   12.851   6.0092   12.851   0.0000   0.0000   36.136   15.268  ?   ?       ?      ? 
1 1 1  -44    6   58 o   57.884   16.934   29.989   14.127   29.989   14.127   0.0000   0.0000   57.884   16.934  ?   ?       ?      ? 
1 1 1  -44    6   59 o  152.515   7.5650  176.091   15.507  161.566   22.657  188.891   21.270  145.377   11.501  159.653   9.8312 -14.27553 15.12992 
1 1 1  -44    6   60 f   68.038   11.069   40.614   10.010   35.244   14.949   44.980   13.478   62.159   17.176   73.917   13.967 -11.75716 22.13853 
1 1 1  -44    6   61 o   54.004   11.862   26.704   9.5803   26.361   14.275   26.985   12.923   53.255   17.289   54.754   16.246 -1.499386 23.72433 
1 1 1  -44    6   62 o   52.088   11.204   24.370   9.4580   12.496   13.614   35.446   13.149   40.549   16.264   63.626   15.413 -23.07637 22.40738 
1 1 1  -44    6   63 o   76.264   10.480   49.719   10.582   42.885   14.942   56.595   14.989   69.027   16.245   83.501   13.246 -14.47407 20.96078 
1 1 1  -44    6   64 o   66.751   11.411   40.493   10.240   36.313   14.367   44.808   14.599   62.454   16.666   71.048   15.591 -8.594448 22.82212 
1 1 1  -44    6   65 o   61.146   10.943   33.021   9.6067   19.446   12.779   50.664   14.569   45.755   16.324   76.538   14.579 -30.78346 21.88626 
1 1 1  -44    6   66 o  131.708   11.442  137.386   20.423   0.0000   0.0000  137.386   20.423  ?   ?   131.708   11.442      ?      ? 
1 1 1  -44    6   67 o   29.145   13.583  -3.9536   13.120   0.0000   0.0000  -3.9536   13.120  ?   ?    29.145   13.583      ?      ? 
1 1 1  -44    6   68 o   61.879   17.320   38.631   15.097   0.0000   0.0000   38.631   15.097  ?   ?    61.879   17.320      ?      ? 
1 1 1  -44    6   69 o  140.460   11.433  159.881   21.762   0.0000   0.0000  159.881   21.762  ?   ?   140.460   11.433      ?      ? 
1 1 1  -44    6   70 o   71.626   17.424   52.541   16.751   0.0000   0.0000   52.541   16.751  ?   ?    71.626   17.424      ?      ? 
1 1 1  -44    7    1 o  146.322   7.2038  150.629   14.284  150.629   14.284   0.0000   0.0000  146.322   7.2038  ?   ?       ?      ? 
1 1 1  -44    7    2 o   77.002   9.4096   42.770   9.8187   42.770   9.8187   0.0000   0.0000   77.002   9.4096  ?   ?       ?      ? 
1 1 1  -44    7    3 o   93.146   8.3753   61.758   10.572   61.758   10.572   0.0000   0.0000   93.146   8.3753  ?   ?       ?      ? 
1 1 1  -44    7    4 o   73.010   9.4291   38.404   9.3291   38.404   9.3291   0.0000   0.0000   73.010   9.4291  ?   ?       ?      ? 
1 1 1  -44    7    5 o   92.640   8.4107   61.046   10.559   61.046   10.559   0.0000   0.0000   92.640   8.4107  ?   ?       ?      ? 
1 1 1  -44    7    6 o  121.405   7.5175  103.795   12.368  103.795   12.368   0.0000   0.0000  121.405   7.5175  ?   ?       ?      ? 
1 1 1  -44    7    7 o   94.237   8.2794   63.013   10.573   63.013   10.573   0.0000   0.0000   94.237   8.2794  ?   ?       ?      ? 
1 1 1  -44    7    8 o  106.960   7.8946   80.811   11.443   80.811   11.443   0.0000   0.0000  106.960   7.8946  ?   ?       ?      ? 
1 1 1  -44    7    9 o   79.275   9.3349   45.089   10.028   45.089   10.028   0.0000   0.0000   79.275   9.3349  ?   ?       ?      ? 
1 1 1  -44    7   10 o  169.399   7.1306  201.055   16.369  201.055   16.369   0.0000   0.0000  169.399   7.1306  ?   ?       ?      ? 
1 1 1  -44    7   11 o  125.217   7.6086  110.323   12.911  110.323   12.911   0.0000   0.0000  125.217   7.6086  ?   ?       ?      ? 
1 1 1  -44    7   12 o  103.249   8.0303   75.302   11.236   75.302   11.236   0.0000   0.0000  103.249   8.0303  ?   ?       ?      ? 
1 1 1  -44    7   13 o   94.102   8.5197   62.849   10.864   62.849   10.864   0.0000   0.0000   94.102   8.5197  ?   ?       ?      ? 
1 1 1  -44    7   14 o  163.612   4.8206  187.442   10.593  182.011   15.939  191.738   14.176  161.131   7.2996  166.093   6.2984 -4.961182 9.641271 
1 1 1  -44    7   15 o  101.442   5.4266   71.877   7.3602   75.429   11.485   69.402   9.5880  103.287   8.2052   99.596   7.1040 3.691818 10.85325 
1 1 1  -44    7   16 o  136.911   5.0453  131.892   9.2678  125.103   13.896  137.331   12.438  133.370   7.6885  140.451   6.5352 -7.081284 10.09065 
1 1 1  -44    7   17 o  137.682   5.2708  132.613   8.9404  132.066   10.635  133.929   16.509  138.192   5.6790  137.172   8.8811 1.019943 10.54156 
1 1 1  -44    7   18 o  103.336   6.4727   75.862   9.0422   69.804   12.328   82.915   13.303   98.865   9.2017  107.808   9.1055 -8.942383 12.94534 
1 1 1  -44    7   19 o   62.558   7.8899   29.494   6.2334   30.873   7.8609   27.159   10.231   65.897   8.8029   59.220   13.096 6.677258 15.77980 
1 1 1  -44    7   20 o   61.671   7.8374   26.672   6.2534   22.151   7.7944   34.838   10.476   54.334   10.964   69.008   11.203 -14.67410 15.67488 
1 1 1  -44    7   21 o  136.339   7.2173  135.917   12.982  125.557   20.307  143.077   16.882  130.791   11.457  141.887   8.7800 -11.09608 14.43454 
1 1 1  -44    7   22 o  196.982   6.9825  278.480   18.392  283.423   28.466  274.938   24.096  197.565   10.633  196.399   9.0536 1.165512 13.96500 
1 1 1  -44    7   23 o  137.419   5.7092  133.199   10.272  133.101   12.975  133.364   16.813  138.067   6.9346  136.771   9.0714 1.295792 11.41841 
1 1 1  -44    7   24 o   69.593   6.9047   29.883   5.8801   20.887   6.9276   53.066   11.121   53.139   9.9868   86.047   9.5375 -32.90784 13.80942 
1 1 1  -44    7   25 o   56.295   8.2557   22.660   5.7217   20.319   6.8494   28.067   10.409   52.382   10.014   60.208   13.128 -7.826092 16.51138 
1 1 1  -44    7   26 o  117.538   5.7663   99.349   8.3207  102.087   9.9644   93.042   15.124  121.333   6.0602  113.742   9.8119 7.591270 11.53258 
1 1 1  -44    7   27 o  144.048   5.9186  143.747   11.553  143.747   11.553   0.0000   0.0000  144.048   5.9186  ?   ?       ?      ? 
1 1 1  -44    7   28 o  121.101   6.1462  101.782   10.086  101.782   10.086   0.0000   0.0000  121.101   6.1462  ?   ?       ?      ? 
1 1 1  -44    7   29 o  105.393   5.9830   79.397   7.7832   80.440   9.3198   76.992   14.150  107.546   6.3948  103.240   10.114 4.306244 11.96606 
1 1 1  -44    7   30 o  164.414   5.3006  182.810   10.761  173.277   12.679  207.363   20.348  158.128   5.9170  170.700   8.7963 -12.57275 10.60116 
1 1 1  -44    7   31 o   94.716   6.2691   63.232   7.4849   62.058   9.0371   65.796   13.357   94.170   7.0816   95.263   10.347 -1.092651 12.53821 
1 1 1  -44    7   32 o  102.908   5.9668   73.653   7.7534   71.122   9.3379   79.270   13.913  100.914   6.8283  104.901   9.7869 -3.987328 11.93350 
1 1 1  -44    7   33 o  118.553   5.6169   94.552   8.4129   86.953   10.042  112.445   15.409  111.662   6.6363  125.445   9.0641 -13.78315 11.23381 
1 1 1  -44    7   34 o  167.354   5.5642  201.579   11.519  208.109   13.887  187.176   20.626  173.236   5.9155  161.472   9.4261 11.76404 11.12850 
1 1 1  -44    7   35 o   79.916   6.9252   45.376   6.9974   44.129   8.4579   48.080   12.457   79.055   7.8951   80.777   11.380 -1.722687 13.85038 
1 1 1  -44    7   36 o  102.808   6.3666   78.324   8.1414   83.667   9.9748   67.664   14.091  109.446   6.7254   96.170   10.812 13.27598 12.73318 
1 1 1  -44    7   37 o   90.204   7.1483   58.662   8.6835   55.983   11.555   62.137   13.162   88.099   9.6787   92.308   10.522 -4.208282 14.29652 
1 1 1  -44    7   38 o  113.319   6.4853   90.932   9.8710   83.680   12.957  100.964   15.239  108.230   8.8341  118.409   9.4970 -10.17896 12.97050 
1 1 1  -44    7   39 o   91.752   6.7247   63.114   7.6349   67.797   9.3431   53.700   13.246   98.343   7.0108   85.162   11.478 13.18026 13.44939 
1 1 1  -44    7   40 o   54.001   9.0526   21.811   6.2167   19.757   7.5618   26.096   10.919   50.907   11.260   57.094   14.178 -6.186314 18.10530 
1 1 1  -44    7   41 o   93.120   6.8117   61.075   8.4137   55.256   10.670   70.639   13.680   87.797   8.9684   98.443   10.255 -10.64587 13.62334 
1 1 1  -44    7   42 o   80.081   8.3651   51.064   8.1934   61.388   10.687   36.344   12.761   92.769   8.5012   67.393   14.409 25.37548 16.73030 
1 1 1  -44    7   43 o  145.330   7.3854  148.876   14.545  148.876   14.545   0.0000   0.0000  145.330   7.3854  ?   ?       ?      ? 
1 1 1  -44    7   44 o   70.357   8.7721   38.347   7.7901   39.889   9.8291   35.743   12.775   74.115   9.7864   66.599   14.561 7.516144 17.54412 
1 1 1  -44    7   45 o   74.971   8.6822   44.645   8.1130   51.019   10.483   35.129   12.810   84.114   9.1971   65.828   14.729 18.28621 17.36443 
1 1 1  -44    7   46 o  118.754   6.3720  100.279   9.9642   96.329   12.588  106.908   16.306  116.415   7.9791  121.093   9.9369 -4.677628 12.74397 
1 1 1  -44    7   47 o  137.470   6.0584  132.195   11.023  121.291   13.940  150.392   18.009  130.666   7.8725  144.274   9.2110 -13.60786 12.11687 
1 1 1  -44    7   48 o   97.245   6.8584   67.189   8.9155   58.833   11.511   79.715   14.094   90.057   9.4324  104.433   9.9589 -14.37634 13.71682 
1 1 1  -44    7   49 o  157.428   5.9606  176.053   12.387  170.940   15.746  184.357   20.065  155.363   7.4788  159.492   9.2834 -4.128769 11.92114 
1 1 1  -44    7   50 o   44.157   10.872   15.659   8.1945   10.812   12.635   19.179   10.766   40.090   15.801   48.223   14.937 -8.132736 21.74382 
1 1 1  -44    7   51 o   47.454   11.264   18.459   8.4527   21.202   13.132   16.519   11.045   49.852   16.603   45.056   15.227 4.795815 22.52769 
1 1 1  -44    7   52 o  124.600   10.249  114.695   17.306   0.0000   0.0000  114.695   17.306  ?   ?   124.600   10.249      ?      ? 
1 1 1  -44    7   53 o   54.152   15.727   25.100   12.224   0.0000   0.0000   25.100   12.224  ?   ?    54.152   15.727      ?      ? 
1 1 1  -44    7   54 o   48.636   11.595   19.920   9.0114   24.243   13.777   16.687   11.913   52.349   16.985   44.922   15.789 7.426498 23.19019 
1 1 1  -44    7   55 o   66.796   10.474   38.625   9.6719   23.663   14.153   51.734   13.248   51.457   17.237   82.134   11.903 -30.67653 20.94741 
1 1 1  -44    7   56 o   50.497   10.544   22.028   8.7806   8.2821   13.146   33.101   11.798   37.753   15.659   63.241   14.124 -25.48742 21.08786 
1 1 1  -44    7   57 o   63.497   11.162   35.011   9.5273   35.865   14.243   34.320   12.817   63.614   16.413   63.380   15.132 0.2331276 22.32393 
1 1 1  -44    7   58 o   79.379   15.068   53.333   15.615   53.333   15.615   0.0000   0.0000   79.379   15.068  ?   ?       ?      ? 
1 1 1  -44    7   59 o   99.779   9.0214   78.298   12.056   95.242   17.881   64.175   16.324  110.496   11.942   89.062   13.526 21.43440 18.04290 
1 1 1  -44    7   60 o  115.659   8.4192  104.753   13.181  105.450   19.093  104.117   18.219  115.661   12.182  115.656   11.625 0.5203247E-02 16.83830 
1 1 1  -44    7   61 o   94.601   9.3386   72.836   11.888   64.339   16.776   81.405   16.848   87.984   14.070  101.217   12.283 -13.23331 18.67726 
1 1 1  -44    7   62 o   63.580   11.826   38.064   10.425   42.684   14.458   33.062   15.046   68.926   15.815   58.233   17.586 10.69258 23.65140 
1 1 1  -44    7   63 o  106.797   9.0462   91.867   12.858   72.193   17.376  115.677   19.116   92.781   13.820  120.813   11.676 -28.03172 18.09236 
1 1 1  -44    7   64 o   43.612   11.149   14.652   9.3796   2.5161   12.562   29.944   14.101   32.150   14.310   55.074   17.100 -22.92384 22.29775 
1 1 1  -44    7   65 o   58.958   11.929   33.637   10.141   26.237   13.586   42.949   15.240   51.267   16.878   66.649   16.861 -15.38172 23.85730 
1 1 1  -44    7   66 o   45.844   17.273   21.523   14.614   0.0000   0.0000   21.523   14.614  ?   ?    45.844   17.273      ?      ? 
1 1 1  -44    7   67 o  119.285   12.269  118.226   19.832   0.0000   0.0000  118.226   19.832  ?   ?   119.285   12.269      ?      ? 
1 1 1  -44    7   68 o   38.764   16.168   13.454   14.125   0.0000   0.0000   13.454   14.125  ?   ?    38.764   16.168      ?      ? 
1 1 1  -44    7   69 o   46.446   17.261   24.023   14.496   0.0000   0.0000   24.023   14.496  ?   ?    46.446   17.261      ?      ? 
1 1 1  -44    8    1 o   52.941   16.540   23.836   13.170   23.836   13.170   0.0000   0.0000   52.941   16.540  ?   ?       ?      ? 
1 1 1  -44    8    2 o   92.172   12.744   64.856   15.919   64.856   15.919   0.0000   0.0000   92.172   12.744  ?   ?       ?      ? 
1 1 1  -44    8    3 o   61.767   16.125   32.092   13.642   32.092   13.642   0.0000   0.0000   61.767   16.125  ?   ?       ?      ? 
1 1 1  -44    8    4 o   54.382   16.248   24.905   12.894   24.905   12.894   0.0000   0.0000   54.382   16.248  ?   ?       ?      ? 
1 1 1  -44    8    5 o  118.829   11.275  104.846   18.156  104.846   18.156   0.0000   0.0000  118.829   11.275  ?   ?       ?      ? 
1 1 1  -44    8    6 o   95.087   12.185   68.052   15.701   68.052   15.701   0.0000   0.0000   95.087   12.185  ?   ?       ?      ? 
1 1 1  -44    8    7 o   82.858   13.135   52.450   14.748   52.450   14.748   0.0000   0.0000   82.858   13.135  ?   ?       ?      ? 
1 1 1  -44    8    8 o   68.272   14.982   37.737   13.480   37.737   13.480   0.0000   0.0000   68.272   14.982  ?   ?       ?      ? 
1 1 1  -44    8    9 o  141.331   7.4618  140.815   14.291  140.815   14.291   0.0000   0.0000  141.331   7.4618  ?   ?       ?      ? 
1 1 1  -44    8   10 o   98.619   8.2969   69.166   11.088   69.166   11.088   0.0000   0.0000   98.619   8.2969  ?   ?       ?      ? 
1 1 1  -44    8   11 o   69.657   9.9755   35.217   9.4164   35.217   9.4164   0.0000   0.0000   69.657   9.9755  ?   ?       ?      ? 
1 1 1  -44    8   12 o  126.544   7.6299  112.990   13.084  112.990   13.084   0.0000   0.0000  126.544   7.6299  ?   ?       ?      ? 
1 1 1  -44    8   13 o   72.681   10.147   38.395   9.9936   38.395   9.9936   0.0000   0.0000   72.681   10.147  ?   ?       ?      ? 
1 1 1  -44    8   15 o   63.417   12.293   30.860   10.183   30.860   10.183   0.0000   0.0000   63.417   12.293  ?   ?       ?      ? 
1 1 1  -44    8   16 o  213.092   7.3324  319.173   21.174  319.173   21.174   0.0000   0.0000  213.092   7.3324  ?   ?       ?      ? 
1 1 1  -44    8   17 o   64.274   11.665   31.313   9.7857   31.313   9.7857   0.0000   0.0000   64.274   11.665  ?   ?       ?      ? 
1 1 1  -44    8   18 o  174.952   7.2917  215.008   17.287  215.008   17.287   0.0000   0.0000  174.952   7.2917  ?   ?       ?      ? 
1 1 1  -44    8   19 f   83.092   7.2297   56.110   6.6090   63.728   7.9027   38.384   12.054   95.766   6.0895   70.419   13.115 25.34703 14.45941 
1 1 1  -44    8   20 f  185.084   5.1748  234.636   11.736  226.753   13.811  255.117   22.263  180.973   5.6316  189.196   8.6832 -8.222839 10.34956 
1 1 1  -44    8   21 o  126.094   5.2974  110.281   8.2936  107.893   9.8794  115.978   15.263  124.733   5.8448  127.456   8.8367 -2.722717 10.59477 
1 1 1  -44    8   22 o   97.464   5.7845   65.415   7.0201   62.582   8.3420   72.291   12.996   94.741   6.4975  100.186   9.5720 -5.445099 11.56897 
1 1 1  -44    8   23 o  111.404   6.2950   88.331   9.4461   85.648   12.610   91.762   14.259  109.751   8.4785  113.057   9.3072 -3.305748 12.58999 
1 1 1  -44    8   24 o  191.907   5.2837  258.764   12.452  258.324   14.792  259.837   23.072  193.146   5.6513  190.667   8.9293 2.478546 10.56742 
1 1 1  -44    8   25 o   76.873   6.5739   41.372   6.3867   39.552   7.6854   45.434   11.482   74.938   7.5681   78.808   10.751 -3.870148 13.14783 
1 1 1  -44    8   26 o  176.732   5.2363  213.057   11.457  203.800   13.552  236.260   21.455  171.428   5.8334  182.037   8.6974 -10.60930 10.47253 
1 1 1  -44    8   27 o   62.071   7.7510   27.231   6.0159   24.508   7.2700   33.144   10.714   58.461   9.1768   65.682   12.494 -7.221169 15.50205 
1 1 1  -44    8   28 o  214.579   5.7766  319.222   16.798  319.222   16.798   0.0000   0.0000  214.579   5.7766  ?   ?       ?      ? 
1 1 1  -44    8   29 o   58.554   9.1348   24.585   7.2483   24.585   7.2483   0.0000   0.0000   58.554   9.1348  ?   ?       ?      ? 
1 1 1  -44    8   30 o   93.961   7.0500   71.361   7.6497   83.257   9.3026   46.517   13.444  109.347   6.2779   78.576   12.625 30.77033 14.10004 
1 1 1  -44    8   31 o   82.877   6.6234   48.896   6.9047   48.004   8.3267   50.860   12.353   82.572   7.4415   83.182   10.959 -0.6106415 13.24679 
1 1 1  -44    8   32 o  119.932   5.5939   96.677   8.4213   88.872   9.9967  115.755   15.629  112.825   6.5383  127.038   9.0783 -14.21260 11.18776 
1 1 1  -44    8   33 o   65.078   7.5849   28.937   6.3371   24.832   7.6284   38.081   11.384   58.635   9.6005   71.521   11.745 -12.88590 15.16986 
1 1 1  -44    8   34 o  100.954   6.3996   75.749   7.9308   80.232   9.6003   66.116   14.074  107.142   6.6121   94.766   10.959 12.37665 12.79919 
1 1 1  -44    8   35 f  139.750   5.9064  136.759   10.887  129.466   13.746  149.031   17.832  135.498   7.4862  144.002   9.1378 -8.503876 11.81281 
1 1 1  -44    8   36 o   53.717   9.6036   23.078   6.9217   23.791   8.9351   22.008   10.945   55.420   12.225   52.014   14.814 3.406300 19.20713 
1 1 1  -44    8   37 o   76.060   8.5160   46.785   7.9009   57.808   10.336   31.292   12.254   90.009   8.4741   62.110   14.774 27.89878 17.03200 
1 1 1  -44    8   38 o  106.804   7.7327   84.096   11.085   84.885   16.866   83.496   14.709  106.636   11.672  106.973   10.147 -0.3367157 15.46542 
1 1 1  -44    8   39 o  117.625   6.2511   97.694   9.7626   91.722   12.462  107.180   15.707  113.574   8.0973  121.675   9.5258 -8.101707 12.50223 
1 1 1  -44    8   40 o   67.259   8.5024   34.591   7.3914   35.327   9.5775   33.506   11.623   69.520   10.166   64.997   13.631 4.523682 17.00479 
1 1 1  -44    8   41 o   33.699   9.3288   5.3450   6.2630   1.2579   8.1065   11.397   9.8646   27.918   11.971   39.481   14.311 -11.56247 18.65753 
1 1 1  -44    8   42 o   76.765   7.9626   42.077   7.8816   31.942   10.029   58.444   12.745   64.449   11.922   89.081   10.558 -24.63240 15.92523 
1 1 1  -44    8   43 o   58.780   9.4836   29.047   7.5755   35.591   9.7267   18.958   12.078   69.614   10.311   47.946   15.920 21.66753 18.96727 
1 1 1  -44    8   44 o  113.220   7.9229   91.220   12.156   91.220   12.156   0.0000   0.0000  113.220   7.9229  ?   ?       ?      ? 
1 1 1  -44    8   45 o   72.144   8.5612   40.665   7.7800   43.291   9.9029   36.433   12.575   77.170   9.4696   67.117   14.265 10.05279 17.12235 
1 1 1  -44    8   46 f   58.998   11.050   28.825   8.9608   34.678   13.616   24.355   11.901   64.183   15.768   53.812   15.486 10.37096 22.10097 
1 1 1  -44    8   47 o   75.829   10.137   47.912   9.9180   34.409   14.764   59.019   13.389   62.835   16.949   88.823   11.124 -25.98806 20.27316 
1 1 1  -44    8   48 o   66.046   10.767   36.776   9.4136   33.348   14.244   39.434   12.543   61.991   16.617   70.102   13.695 -8.111271 21.53328 
1 1 1  -44    8   49 o   31.333   9.4790   1.3582   7.5456  -6.0929   11.190   7.5704   10.218   27.195   12.631   35.472   14.137 -8.277077 18.95791 
1 1 1  -44    8   50 o   46.827   11.175   18.481   8.4207   17.542   12.300   19.309   11.552   45.852   16.047   47.803   15.555 -1.951504 22.34925 
1 1 1  -44    8   51 o   38.183   10.608   8.8954   8.3501   15.471   11.957   2.6358   11.666   43.630   15.764   32.736   14.200 10.89386 21.21697 
1 1 1  -44    8   52 o   58.077   10.694   29.496   9.3590   14.587   13.501   43.290   12.986   43.006   16.506   73.148   13.601 -30.14242 21.38755 
1 1 1  -44    8   53 o   43.505   15.822   15.597   12.073   0.0000   0.0000   15.597   12.073  ?   ?    43.505   15.822      ?      ? 
1 1 1  -44    8   54 o   65.527   11.041   37.973   9.8460   28.740   14.365   46.154   13.522   55.960   17.241   75.094   13.796 -19.13435 22.08105 
1 1 1  -44    8   55 f   35.850   10.553   6.8601   8.6481   2.3878   12.912   10.498   11.646   33.341   14.690   38.360   15.154 -5.018440 21.10537 
1 1 1  -44    8   56 o   52.220   11.029   23.966   9.4699   10.149   13.530   37.235   13.259   38.836   15.976   65.603   15.210 -26.76721 22.05866 
1 1 1  -44    8   57 o  139.758   7.9281  151.723   14.764  124.627   20.999  178.213   20.763  125.505   12.347  154.011   9.9483 -28.50578 15.85614 
1 1 1  -44    8   58 o   59.492   17.080   33.346   14.493   33.346   14.493   0.0000   0.0000   59.492   17.080  ?   ?       ?      ? 
1 1 1  -44    8   59 o   68.621   11.424   42.522   10.537   34.021   14.384   52.366   15.478   59.960   16.949   77.281   15.321 -17.32125 22.84738 
1 1 1  -44    8   60 o   61.264   11.257   34.326   10.347   17.884   14.088   53.581   15.245   44.147   16.881   78.380   14.898 -34.23329 22.51461 
1 1 1  -44    8   61 o   63.543   11.399   38.226   10.587   22.368   14.716   55.238   15.242   47.546   17.441   79.539   14.682 -31.99287 22.79784 
1 1 1  -44    8   62 f   62.291   12.177   38.224   10.629   39.826   15.145   36.668   14.922   63.774   17.151   60.808   17.289 2.965305 24.35323 
1 1 1  -44    8   63 o   44.564   11.773   19.351   9.6920   23.244   13.623   15.360   13.792   48.025   16.884   41.103   16.411 6.922638 23.54534 
1 1 1  -44    8   64 o   71.762   11.430   49.181   10.885   43.269   15.343   55.172   15.445   65.896   17.051   77.629   15.226 -11.73265 22.86017 
1 1 1  -44    8   65 f   38.268   11.047   12.244   9.2813   6.7926   13.141   17.669   13.110   34.248   14.961   42.289   16.257 -8.040207 22.09351 
1 1 1  -44    8   66 o   71.625   16.391   50.614   15.565   0.0000   0.0000   50.614   15.565  ?   ?    71.625   16.391      ?      ? 
1 1 1  -44    8   67 f   66.294   17.276   46.312   15.677   0.0000   0.0000   46.312   15.677  ?   ?    66.294   17.276      ?      ? 
1 1 1  -44    9    1 o   55.716   11.379   23.995   8.3010   23.995   8.3010   0.0000   0.0000   55.716   11.379  ?   ?       ?      ? 
1 1 1  -44    9    2 o   79.730   9.0944   46.091   9.8260   46.091   9.8260   0.0000   0.0000   79.730   9.0944  ?   ?       ?      ? 
1 1 1  -44    9    3 o   82.887   8.9609   49.671   10.065   49.671   10.065   0.0000   0.0000   82.887   8.9609  ?   ?       ?      ? 
1 1 1  -44    9    4 f   85.895   8.7136   53.118   10.143   53.118   10.143   0.0000   0.0000   85.895   8.7136  ?   ?       ?      ? 
1 1 1  -44    9    5 o   62.850   11.398   30.225   9.3501   30.225   9.3501   0.0000   0.0000   62.850   11.398  ?   ?       ?      ? 
1 1 1  -44    9    6 o   96.848   8.5142   67.262   11.174   67.262   11.174   0.0000   0.0000   96.848   8.5142  ?   ?       ?      ? 
1 1 1  -44    9    7 o   48.334   12.985   18.585   8.6866   18.585   8.6866   0.0000   0.0000   48.334   12.985  ?   ?       ?      ? 
1 1 1  -44    9    8 f   43.227   13.191   14.747   8.4332   14.747   8.4332   0.0000   0.0000   43.227   13.191  ?   ?       ?      ? 
1 1 1  -44    9    9 o   40.270   13.330   12.481   8.4697   12.481   8.4697   0.0000   0.0000   40.270   13.330  ?   ?       ?      ? 
1 1 1  -44    9   11 o   38.759   13.401   11.227   8.5652   11.227   8.5652   0.0000   0.0000   38.759   13.401  ?   ?       ?      ? 
1 1 1  -44    9   12 o   65.009   10.456   31.036   9.2113   31.036   9.2113   0.0000   0.0000   65.009   10.456  ?   ?       ?      ? 
1 1 1  -44    9   13 o   61.016   11.554   28.448   9.2036   28.448   9.2036   0.0000   0.0000   61.016   11.554  ?   ?       ?      ? 
1 1 1  -44    9   14 o   69.580   9.7780   35.185   9.2198   35.185   9.2198   0.0000   0.0000   69.580   9.7780  ?   ?       ?      ? 
1 1 1  -44    9   15 o   59.080   11.956   26.892   9.2432   26.892   9.2432   0.0000   0.0000   59.080   11.956  ?   ?       ?      ? 
1 1 1  -44    9   16 o   44.771   13.509   15.851   8.8804   15.851   8.8804   0.0000   0.0000   44.771   13.509  ?   ?       ?      ? 
1 1 1  -44    9   17 o   56.254   12.377   24.619   9.1793   24.619   9.1793   0.0000   0.0000   56.254   12.377  ?   ?       ?      ? 
1 1 1  -44    9   18 o  130.664   7.7128  120.829   13.657  120.829   13.657   0.0000   0.0000  130.664   7.7128  ?   ?       ?      ? 
1 1 1  -44    9   19 o   82.467   9.1828   48.981   10.262   48.981   10.262   0.0000   0.0000   82.467   9.1828  ?   ?       ?      ? 
1 1 1  -44    9   20 o   60.543   11.917   28.152   9.4292   28.152   9.4292   0.0000   0.0000   60.543   11.917  ?   ?       ?      ? 
1 1 1  -44    9   21 o   68.425   10.785   34.471   10.001   34.471   10.001   0.0000   0.0000   68.425   10.785  ?   ?       ?      ? 
1 1 1  -44    9   22 o  126.311   7.8138  113.015   13.375  113.015   13.375   0.0000   0.0000  126.311   7.8138  ?   ?       ?      ? 
1 1 1  -44    9   23 o   82.683   9.5303   49.454   10.678   49.454   10.678   0.0000   0.0000   82.683   9.5303  ?   ?       ?      ? 
1 1 1  -44    9   24 o   76.203   9.9037   42.222   10.227   42.222   10.227   0.0000   0.0000   76.203   9.9037  ?   ?       ?      ? 
1 1 1  -44    9   25 o   64.993   8.5840   31.661   7.3548   25.807   9.8097   39.175   11.115   57.325   12.935   72.660   11.288 -15.33597 17.16792 
1 1 1  -44    9   26 o  131.916   5.2597  118.723   8.6711  112.573   10.312  133.565   16.021  127.205   5.9822  136.627   8.6529 -9.421844 10.51945 
1 1 1  -44    9   27 o   58.420   8.4826   28.050   6.4408   34.939   8.3266   17.787   10.163   69.810   8.8018   47.031   14.503 22.77847 16.96511 
1 1 1  -44    9   28 o   48.238   9.4011   18.533   6.2734   19.003   8.0438   17.805   10.023   49.411   12.108   47.064   14.385 2.347397 18.80224 
1 1 1  -44    9   29 o   69.182   8.0236   35.493   7.1620   33.917   9.1085   38.046   11.592   68.295   9.8419   70.068   12.675 -1.773849 16.04725 
1 1 1  -44    9   30 o   56.023   11.706   24.140   8.6003   24.140   8.6003   0.0000   0.0000   56.023   11.706  ?   ?       ?      ? 
1 1 1  -44    9   31 o   48.988   9.4313   18.024   6.4587   12.808   8.2885   26.087   10.305   40.737   13.170   57.238   13.504 -16.50112 18.86269 
1 1 1  -44    9   32 o   45.062   9.5323   16.554   6.5086   20.243   8.3764   10.933   10.340   50.894   12.285   39.231   14.578 11.66293 19.06454 
1 1 1  -44    9   33 o   47.562   9.6891   18.190   6.5451   18.838   8.4893   17.240   10.277   48.871   12.702   46.252   14.635 2.619728 19.37811 
1 1 1  -44    9   34 o   33.462   9.3143   6.4388   6.1805   7.5922   7.9707   4.6997   9.7876   34.064   12.772   32.860   13.561 1.204090 18.62852 
1 1 1  -44    9   35 o   45.397   9.7214   15.196   6.5701   9.9412   8.4077   23.437   10.529   37.093   13.240   53.701   14.238 -16.60784 19.44278 
1 1 1  -44    9   36 o   46.822   9.5215   18.090   6.8395   24.158   8.9662   9.6442   10.577   55.657   12.222   37.988   14.603 17.66942 19.04292 
1 1 1  -44    9   37 o   49.723   9.7836   20.175   6.8229   21.521   8.8703   18.224   10.677   52.202   12.668   47.244   14.913 4.958405 19.56722 
1 1 1  -44    9   38 o   99.597   6.5583   69.826   8.7217   59.541   11.242   85.378   13.824   90.738   9.1424  108.456   9.4055 -17.71822 13.11664 
1 1 1  -44    9   39 o   47.222   10.729   18.593   7.9108   14.560   12.548   21.253   10.191   43.433   16.076   51.011   14.213 -7.577534 21.45798 
1 1 1  -44    9   40 f   71.848   9.4936   40.625   8.9364   40.360   13.663   40.823   11.814   70.221   14.823   73.475   11.865 -3.253334 18.98722 
1 1 1  -44    9   41 o   74.684   9.6935   46.135   9.2636   30.444   13.622   59.634   12.635   59.506   16.377   89.861   10.376 -30.35542 19.38709 
1 1 1  -44    9   42 o   86.426   9.0615   58.748   10.136   51.722   15.151   64.439   13.636   79.836   14.540   93.016   10.818 -13.17948 18.12295 
1 1 1  -44    9   43 o   31.324   9.6437   0.5756   7.6924   5.8739   11.698  -3.4616   10.211   35.301   14.717   27.347   12.466 7.953861 19.28746 
1 1 1  -44    9   44 o   62.318   15.972   33.255   13.550   33.255   13.550   0.0000   0.0000   62.318   15.972  ?   ?       ?      ? 
1 1 1  -44    9   45 o   38.711   15.441   9.8591   12.198   9.8591   12.198   0.0000   0.0000   38.711   15.441  ?   ?       ?      ? 
1 1 1  -44    9   46 o  106.493   8.1160   86.556   11.614   78.128   16.841   94.198   16.037  100.618   12.351  112.368   10.532 -11.75087 16.23207 
1 1 1  -44    9   47 o  149.497   7.3481  166.684   14.837  166.051   21.824  167.228   20.231  148.639   10.835  150.355   9.9293 -1.715958 14.69621 
1 1 1  -44    9   48 o   44.085   11.335   15.498   8.7951   20.688   13.281   11.444   11.738   48.584   16.694   39.587   15.337 8.997684 22.66964 
1 1 1  -44    9   49 o   48.415   10.197   18.011   8.9318  -0.2131   12.805   35.282   12.465   31.914   14.308   64.916   14.532 -33.00172 20.39351 
1 1 1  -44    9   50 o   53.269   11.569   25.460   9.2093   22.977   13.356   27.710   12.715   50.548   16.739   55.991   15.974 -5.443241 23.13803 
1 1 1  -44    9   51 o   63.438   11.285   35.319   9.6744   37.930   14.254   33.090   13.173   65.491   16.160   61.386   15.756 4.105068 22.56997 
1 1 1  -44    9   52 o   76.814   10.515   50.828   10.578   36.232   15.135   64.765   14.789   62.534   17.284   91.094   11.980 -28.56039 21.02979 
1 1 1  -44    9   53 o   45.209   16.284   18.038   12.745   0.0000   0.0000   18.038   12.745  ?   ?    45.209   16.284      ?      ? 
1 1 1  -44    9   54 o   80.278   10.592   56.080   11.039   34.721   15.387   78.727   15.845   60.156   17.695  100.400   11.646 -40.24461 21.18313 
1 1 1  -44    9   55 f   56.464   11.345   29.260   9.6007   40.091   13.754   18.967   13.408   67.347   15.405   45.581   16.659 21.76568 22.68974 
1 1 1  -44    9   56 o   52.553   11.919   26.410   9.6192   25.258   13.505   27.597   13.705   51.416   16.823   53.689   16.889 -2.272968 23.83814 
1 1 1  -44    9   57 o   37.327   10.839   9.9831   8.7928   10.674   12.178   9.2309   12.709   37.766   15.300   36.888   15.357 0.8778381 21.67728 
1 1 1  -44    9   58 o   36.393   15.228   8.9280   12.587   8.9280   12.587   0.0000   0.0000   36.393   15.228  ?   ?       ?      ? 
1 1 1  -44    9   59 o   32.035   14.223   2.9068   12.336   2.9068   12.336   0.0000   0.0000   32.035   14.223  ?   ?       ?      ? 
1 1 1  -44    9   60 o   45.780   11.723   19.492   9.7318   11.062   13.042   30.084   14.618   37.657   15.606   53.903   17.496 -16.24607 23.44525 
1 1 1  -44    9   61 o   52.210   11.305   25.203   10.049   9.2076   13.511   45.011   15.035   36.257   15.498   68.163   16.462 -31.90661 22.60997 
1 1 1  -44    9   62 o   35.601   10.738   9.0073   9.1328   8.4069   12.742   9.6417   13.097   35.111   15.031   36.091   15.339 -0.9803047 21.47579 
1 1 1  -44    9   63 o   58.480   12.242   36.417   10.463   39.896   14.709   32.853   14.887   62.204   16.976   54.757   17.644 7.447098 24.48452 
1 1 1  -44    9   64 o   68.245   11.706   46.840   10.887   35.759   14.683   60.374   16.226   57.312   17.387   79.179   15.677 -21.86689 23.41164 
1 1 1  -44   10    1 o   43.771   12.950   15.569   8.2204   15.569   8.2204   0.0000   0.0000   43.771   12.950  ?   ?       ?      ? 
1 1 1  -44   10    2 o   47.982   12.584   18.576   8.2838   18.576   8.2838   0.0000   0.0000   47.982   12.584  ?   ?       ?      ? 
1 1 1  -44   10    3 o   55.248   11.955   24.092   8.6906   24.092   8.6906   0.0000   0.0000   55.248   11.955  ?   ?       ?      ? 
1 1 1  -44   10    4 o   54.485   11.974   23.417   8.6002   23.417   8.6002   0.0000   0.0000   54.485   11.974  ?   ?       ?      ? 
1 1 1  -44   10    5 o  108.210   8.0463   83.992   11.799   83.992   11.799   0.0000   0.0000  108.210   8.0463  ?   ?       ?      ? 
1 1 1  -44   10    8 o   37.162   13.002   10.338   8.0738   10.338   8.0738   0.0000   0.0000   37.162   13.002  ?   ?       ?      ? 
1 1 1  -44   10    9 o   85.787   12.871   56.989   14.963   56.989   14.963   0.0000   0.0000   85.787   12.871  ?   ?       ?      ? 
1 1 1  -44   10   10 o   43.955   15.714   15.475   11.847   15.475   11.847   0.0000   0.0000   43.955   15.714  ?   ?       ?      ? 
1 1 1  -44   10   11 o   39.807   15.213   11.313   11.437   11.313   11.437   0.0000   0.0000   39.807   15.213  ?   ?       ?      ? 
1 1 1  -44   10   12 o   53.127   15.808   23.967   12.223   23.967   12.223   0.0000   0.0000   53.127   15.808  ?   ?       ?      ? 
1 1 1  -44   10   13 o   93.641   12.047   66.602   15.287   66.602   15.287   0.0000   0.0000   93.641   12.047  ?   ?       ?      ? 
1 1 1  -44   10   14 o  155.619   10.498  179.068   22.140  179.068   22.140   0.0000   0.0000  155.619   10.498  ?   ?       ?      ? 
1 1 1  -44   10   15 o  125.198   11.220  117.223   19.036  117.223   19.036   0.0000   0.0000  125.198   11.220  ?   ?       ?      ? 
1 1 1  -44   10   16 o   57.147   15.675   27.550   12.504   27.550   12.504   0.0000   0.0000   57.147   15.675  ?   ?       ?      ? 
1 1 1  -44   10   17 o   36.847   15.209   7.0129   12.314   7.0129   12.314   0.0000   0.0000   36.847   15.209  ?   ?       ?      ? 
1 1 1  -44   10   18 o   83.818   13.073   54.231   14.849   54.231   14.849   0.0000   0.0000   83.818   13.073  ?   ?       ?      ? 
1 1 1  -44   10   19 o   55.701   16.260   26.485   13.037   26.485   13.037   0.0000   0.0000   55.701   16.260  ?   ?       ?      ? 
1 1 1  -44   10   20 f   99.045   12.186   74.478   16.355   74.478   16.355   0.0000   0.0000   99.045   12.186  ?   ?       ?      ? 
1 1 1  -44   10   21 o   82.818   13.467   53.306   15.114   53.306   15.114   0.0000   0.0000   82.818   13.467  ?   ?       ?      ? 
1 1 1  -44   10   22 f  156.889   10.737  182.361   22.828  182.361   22.828   0.0000   0.0000  156.889   10.737  ?   ?       ?      ? 
1 1 1  -44   10   23 o   79.332   14.380   50.603   14.890   50.603   14.890   0.0000   0.0000   79.332   14.380  ?   ?       ?      ? 
1 1 1  -44   10   24 o   94.366   12.710   68.248   16.254   68.248   16.254   0.0000   0.0000   94.366   12.710  ?   ?       ?      ? 
1 1 1  -44   10   25 o   44.093   16.321   15.146   12.935   15.146   12.935   0.0000   0.0000   44.093   16.321  ?   ?       ?      ? 
1 1 1  -44   10   26 o  115.313   11.643  100.050   18.194  100.050   18.194   0.0000   0.0000  115.313   11.643  ?   ?       ?      ? 
1 1 1  -44   10   27 o   50.765   16.558   21.929   13.087   21.929   13.087   0.0000   0.0000   50.765   16.558  ?   ?       ?      ? 
1 1 1  -44   10   28 o   57.275   17.095   28.624   14.279   28.624   14.279   0.0000   0.0000   57.275   17.095  ?   ?       ?      ? 
1 1 1  -44   10   29 o  139.971   11.217  146.514   21.276  146.514   21.276   0.0000   0.0000  139.971   11.217  ?   ?       ?      ? 
1 1 1  -44   10   30 o  150.283   11.036  168.469   22.476  168.469   22.476   0.0000   0.0000  150.283   11.036  ?   ?       ?      ? 
1 1 1  -44   10   31 o   93.835   8.4797   63.236   10.783   63.236   10.783   0.0000   0.0000   93.835   8.4797  ?   ?       ?      ? 
1 1 1  -44   10   32 o   63.277   8.5898   29.124   7.0595   23.186   8.8264   39.668   11.761   54.291   12.284   72.262   12.010 -17.97163 17.17954 
1 1 1  -44   10   33 o   45.033   9.8316   14.883   7.7260   2.1625   10.929   27.590   10.923   31.883   13.787   58.183   14.019 -26.30004 19.66311 
1 1 1  -44   10   34 o   54.619   10.778   25.246   8.3565   21.726   12.117   28.439   11.540   50.575   15.876   58.663   14.580 -8.087845 21.55521 
1 1 1  -44   10   35 o  111.828   7.4944   92.975   11.329   92.392   16.559   93.488   15.533  111.121   10.996  112.535   10.185 -1.414650 14.98873 
1 1 1  -44   10   36 o   54.830   10.858   25.236   8.4855   30.900   12.393   20.237   11.643   60.706   15.121   48.954   15.586 11.75275 21.71581 
1 1 1  -44   10   37 o   89.294   8.3901   60.663   10.146   63.492   14.622   58.036   14.090   91.343   11.813   87.245   11.918 4.097733 16.78024 
1 1 1  -44   10   38 o   58.305   10.059   28.307   8.8987   12.655   12.666   43.562   12.505   41.324   15.954   75.286   12.257 -33.96131 20.11873 
1 1 1  -44   10   39 o  119.307   10.258  105.643   16.584   0.0000   0.0000  105.643   16.584  ?   ?   119.307   10.258      ?      ? 
1 1 1  -44   10   40 o   79.558   12.198   48.758   13.151   0.0000   0.0000   48.758   13.151  ?   ?    79.558   12.198      ?      ? 
1 1 1  -44   10   41 o   59.728   10.789   30.246   8.8014   35.117   12.839   25.928   12.089   64.612   14.959   54.843   15.551 9.769913 21.57761 
1 1 1  -44   10   42 o   60.168   10.411   31.243   8.8169   19.684   12.653   42.155   12.293   47.681   16.296   72.655   12.961 -24.97315 20.82208 
1 1 1  -44   10   43 o   37.631   10.300   9.1581   7.9011   2.2861   11.501   15.301   10.873   32.165   14.025   43.096   15.088 -10.93030 20.59943 
1 1 1  -44   10   44 o   33.276   14.320   3.7743   11.675   3.7743   11.675   0.0000   0.0000   33.276   14.320  ?   ?       ?      ? 
1 1 1  -44   10   45 o   78.908   14.656   52.046   15.095   52.046   15.095   0.0000   0.0000   78.908   14.656  ?   ?       ?      ? 
1 1 1  -44   10   46 o   51.004   11.346   23.428   8.9818   18.114   13.286   27.901   12.190   45.593   16.595   56.414   15.478 -10.82172 22.69263 
1 1 1  -44   10   47 o   48.927   11.207   21.257   8.8530   14.411   12.778   27.577   12.277   42.040   16.076   55.814   15.618 -13.77457 22.41328 
1 1 1  -44   10   48 o   63.926   10.967   36.260   9.5345   29.001   13.609   43.257   13.362   56.115   16.676   71.738   14.247 -15.62286 21.93344 
1 1 1  -44   10   49 o   43.091   11.093   15.571   8.6855   21.222   12.212   9.7847   12.356   48.446   16.004   37.736   15.365 10.71008 22.18622 
1 1 1  -44   10   50 o   68.053   10.753   40.243   10.074   54.989   14.785   27.467   13.762   82.167   13.279   53.939   16.918 28.22808 21.50642 
1 1 1  -44   10   51 o   48.061   11.495   21.160   9.1364   15.473   12.824   27.022   13.020   42.335   16.125   53.787   16.386 -11.45190 22.98953 
1 1 1  -44   10   52 o   60.794   10.933   34.121   9.7925   19.052   13.806   49.376   13.891   45.271   16.841   76.317   13.946 -31.04622 21.86597 
1 1 1  -44   10   53 o   35.450   15.018   7.4497   12.487   0.0000   0.0000   7.4497   12.487  ?   ?    35.450   15.018      ?      ? 
1 1 1  -44   10   54 o   40.963   10.978   13.191   9.0030   3.8850   12.511   23.185   12.965   32.939   14.488   48.986   16.497 -16.04672 21.95593 
1 1 1  -44   10   55 o   38.276   11.099   11.528   9.1956   11.969   12.603   11.026   13.447   38.502   15.576   38.051   15.815 0.4505386 22.19727 
1 1 1  -44   10   56 o   61.866   12.008   37.838   10.373   37.906   14.701   37.771   14.637   61.891   17.005   61.840   16.958 0.5198288E-01 24.01547 
1 1 1  -44   10   57 o   59.026   12.183   35.522   10.343   35.633   14.095   35.392   15.226   59.889   16.725   58.162   17.719 1.726334 24.36626 
1 1 1  -44   10   58 o   39.879   15.828   14.614   12.761   14.614   12.761   0.0000   0.0000   39.879   15.828  ?   ?       ?      ? 
1 1 1  -44   10   59 o   36.401   10.086   5.2726   9.2879   23.824   12.470 -17.8395   13.919   48.293   16.180   24.509   12.047 23.78325 20.17245 
1 1 1  -44   10   60 o   61.139   12.321   39.825   11.057   29.535   15.097   51.732   16.239   51.086   17.784   71.191   17.056 -20.10566 24.64114 
1 1 1  -44   11    1 o   38.190   14.953   10.960   11.248   10.960   11.248   0.0000   0.0000   38.190   14.953  ?   ?       ?      ? 
1 1 1  -44   11    2 o   35.319   14.839   6.8000   12.030   6.8000   12.030   0.0000   0.0000   35.319   14.839  ?   ?       ?      ? 
1 1 1  -44   11    4 o   73.361   14.396   45.188   13.801   45.188   13.801   0.0000   0.0000   73.361   14.396  ?   ?       ?      ? 
1 1 1  -44   11    5 o   27.307   12.543  -3.7122   10.602  -3.7122   10.602   0.0000   0.0000   27.307   12.543  ?   ?       ?      ? 
1 1 1  -44   11    6 o   74.497   13.989   45.841   13.603   45.841   13.603   0.0000   0.0000   74.497   13.989  ?   ?       ?      ? 
1 1 1  -44   11    7 o   32.050   13.787   3.2827   10.812   3.2827   10.812   0.0000   0.0000   32.050   13.787  ?   ?       ?      ? 
1 1 1  -44   11    8 o   63.011   14.913   33.769   12.536   33.769   12.536   0.0000   0.0000   63.011   14.913  ?   ?       ?      ? 
1 1 1  -44   11    9 o   71.483   14.624   42.700   13.689   42.700   13.689   0.0000   0.0000   71.483   14.624  ?   ?       ?      ? 
1 1 1  -44   11   10 o   30.456   13.381   1.0799   10.649   1.0799   10.649   0.0000   0.0000   30.456   13.381  ?   ?       ?      ? 
1 1 1  -44   11   11 o   89.155   12.499   61.953   15.101   61.953   15.101   0.0000   0.0000   89.155   12.499  ?   ?       ?      ? 
1 1 1  -44   11   12 o   31.741   13.575   3.2117   10.376   3.2117   10.376   0.0000   0.0000   31.741   13.575  ?   ?       ?      ? 
1 1 1  -44   11   13 o   56.207   15.829   27.478   12.570   27.478   12.570   0.0000   0.0000   56.207   15.829  ?   ?       ?      ? 
1 1 1  -44   11   14 o   85.098   12.451   56.202   14.358   56.202   14.358   0.0000   0.0000   85.098   12.451  ?   ?       ?      ? 
1 1 1  -44   11   15 o   74.283   14.503   45.497   14.075   45.497   14.075   0.0000   0.0000   74.283   14.503  ?   ?       ?      ? 
1 1 1  -44   11   16 o   47.720   15.859   19.468   11.984   19.468   11.984   0.0000   0.0000   47.720   15.859  ?   ?       ?      ? 
1 1 1  -44   11   17 o   30.673   13.572   0.3597   11.139   0.3597   11.139   0.0000   0.0000   30.673   13.572  ?   ?       ?      ? 
1 1 1  -44   11   18 o   42.662   15.678   14.499   11.899   14.499   11.899   0.0000   0.0000   42.662   15.678  ?   ?       ?      ? 
1 1 1  -44   11   19 o  122.796   11.210  113.925   18.654  113.925   18.654   0.0000   0.0000  122.796   11.210  ?   ?       ?      ? 
1 1 1  -44   11   20 o   63.670   15.792   34.757   13.559   34.757   13.559   0.0000   0.0000   63.670   15.792  ?   ?       ?      ? 
1 1 1  -44   11   38 o   46.705   15.863   19.041   11.988   19.041   11.988   0.0000   0.0000   46.705   15.863  ?   ?       ?      ? 
1 1 1  -44   11   39 o   52.363   15.465   24.129   11.733   0.0000   0.0000   24.129   11.733  ?   ?    52.363   15.465      ?      ? 
1 1 1  -44   11   40 o   73.119   13.766   44.174   13.140   0.0000   0.0000   44.174   13.140  ?   ?    73.119   13.766      ?      ? 
1 1 1  -44   11   41 o   59.797   10.049   30.575   8.6322   18.271   12.150   43.116   12.267   45.575   15.949   74.018   12.229 -28.44353 20.09815 
1 1 1  -44   11   42 o   52.138   10.937   24.340   8.4632   19.267   12.135   29.143   11.809   46.484   15.958   57.793   14.961 -11.30844 21.87478 
1 1 1  -44   11   43 o   40.746   10.395   12.528   8.0777   3.0961   11.532   21.614   11.318   32.231   14.049   49.260   15.325 -17.02886 20.78989 
1 1 1  -44   11   44 o   35.557   14.660   7.8767   11.426   7.8767   11.426   0.0000   0.0000   35.557   14.660  ?   ?       ?      ? 
1 1 1  -44   11   45 o   51.179   16.236   24.329   12.644   24.329   12.644   0.0000   0.0000   51.179   16.236  ?   ?       ?      ? 
1 1 1  -44   11   46 o   40.365   10.690   12.373   8.5213   21.326   12.061   3.4501   12.041   48.097   15.906   32.633   14.286 15.46481 21.37990 
1 1 1  -44   11   47 o   42.226   11.199   15.695   8.6965   17.132   12.151   14.186   12.452   43.588   15.870   40.864   15.807 2.724216 22.39882 
1 1 1  -44   11   48 o   82.193   9.9894   57.602   10.860   53.201   15.239   62.144   15.481   77.706   15.015   86.680   13.179 -8.974236 19.97879 
1 1 1  -44   11   49 o   42.145   11.333   16.027   8.9479   16.291   12.687   15.766   12.621   42.379   16.064   41.910   15.989 0.4689178 22.66516 
1 1 1  -44   11   50 o   35.817   10.391   7.5526   8.6765   15.982   11.978  -1.7548   12.586   41.929   15.669   29.706   13.653 12.22353 20.78252 
1 1 1  -44   11   51 o   52.889   11.943   28.098   9.7247   25.079   13.780   31.094   13.726   49.781   17.007   55.997   16.772 -6.215164 23.88558 
1 1 1  -44   11   52 f   38.273   10.857   10.945   9.0500   2.7199   12.621   19.652   12.984   31.858   14.249   44.689   16.385 -12.83059 21.71396 
1 1 1  -44   11   53 o   48.940   16.971   24.857   13.742   0.0000   0.0000   24.857   13.742  ?   ?    48.940   16.971      ?      ? 
1 1 1  -44   11   54 f   43.552   11.587   19.113   9.2892   19.103   12.743   19.124   13.570   43.671   16.193   43.433   16.577 0.2380524 23.17349 
1 1 1  -44   11   55 f   44.921   11.778   21.173   9.5391   21.722   13.352   20.601   13.633   45.494   16.625   44.349   16.688 1.145046 23.55599 
1 1 1  -44   11   56 o   52.832   12.370   30.640   10.242   28.172   13.579   33.897   15.599   51.183   16.875   54.482   18.092 -3.299263 24.74057 
1 1 1  -44   12   46 o   34.577   10.455   7.4240   8.6699   8.0722   11.490   6.5671   13.211   34.632   14.524   34.522   15.043 0.1105881 20.90977 
1 1 1  -44   12   47 o   26.491   8.7962  -5.1543   8.0223  -6.3222   11.167  -3.9089   11.532   25.735   12.162   27.248   12.711 -1.512360 17.59235 
1 1 1  -44   12   48 o   65.492   11.291   41.324   9.9379   44.053   14.225   38.723   13.890   68.056   15.738   62.929   16.193 5.126812 22.58117 
1 1 1  -44   12   49 o   45.608   11.390   20.886   9.0777   27.486   12.966   14.541   12.714   51.705   16.446   39.511   15.762 12.19455 22.77993 
1 1 1  -44   12   50 o   44.870   11.624   20.869   9.3453   16.722   12.988   25.321   13.457   41.048   16.069   48.692   16.800 -7.644859 23.24763 
1 1 1  -44   12   51 o   29.662   9.5673   0.8391   8.5263  -0.6121   11.929   2.3548   12.191   28.766   13.247   30.558   13.807 -1.791420 19.13458 
1 1 1  -43    0    1 o   71.489   9.2608   36.955   8.5565   0.0000   0.0000   36.955   8.5565   71.489   9.2608   71.489   9.2608 -0.000000 0.000000 
1 1 1  -43    0    2 o   88.166   8.0517   54.711   9.4355   0.0000   0.0000   54.711   9.4355   88.166   8.0517   88.166   8.0517 -0.000000 0.000000 
1 1 1  -43    0    3 o   72.771   9.2770   38.210   8.7428   0.0000   0.0000   38.210   8.7428   72.771   9.2770   72.771   9.2770 -0.000000 0.000000 
1 1 1  -43    0    4 o  205.581   6.6597  289.964   18.509   0.0000   0.0000  289.964   18.509  205.581   6.6597  205.581   6.6597 -0.000000 0.000000 
1 1 1  -43    0    5 o  142.299   6.8193  139.463   13.081   0.0000   0.0000  139.463   13.081  142.299   6.8193  142.299   6.8193 -0.000000 0.000000 
1 1 1  -43    0    6 o   36.424   15.030   13.013   7.3562   0.0000   0.0000   13.013   7.3562   36.424   15.030   36.424   15.030 -0.000000 0.000000 
1 1 1  -43    0    7 o   21.881   13.175   3.5257   7.0879   0.0000   0.0000   3.5257   7.0879   21.881   13.175   21.881   13.175 -0.000000 0.000000 
1 1 1  -43    0    8 o   69.169   9.8191   34.868   8.6681   0.0000   0.0000   34.868   8.6681   69.169   9.8191   69.169   9.8191 -0.000000 0.000000 
1 1 1  -43    0    9 o   52.158   13.109   22.037   8.0142   0.0000   0.0000   22.037   8.0142   52.158   13.109   52.158   13.109 -0.000000 0.000000 
1 1 1  -43    0   10 o   67.236   10.278   33.237   8.7149   0.0000   0.0000   33.237   8.7149   67.236   10.278   67.236   10.278 -0.000000 0.000000 
1 1 1  -43    0   11 o   60.040   12.387   27.870   8.8988   0.0000   0.0000   27.870   8.8988   60.040   12.387   60.040   12.387 -0.000000 0.000000 
1 1 1  -43    0   12 o  143.028   7.0705  140.892   13.628   0.0000   0.0000  140.892   13.628  143.028   7.0705  143.028   7.0705 -0.000000 0.000000 
1 1 1  -43    0   13 o  126.105   7.3033  109.864   12.385   0.0000   0.0000  109.864   12.385  126.105   7.3033  126.105   7.3033 -0.000000 0.000000 
1 1 1  -43    0   15 o  172.107   6.8983  203.364   16.030   0.0000   0.0000  203.364   16.030  172.107   6.8983  172.107   6.8983 -0.000000 0.000000 
1 1 1  -43    0   16 f  165.577   6.9251  188.303   15.477   0.0000   0.0000  188.303   15.477  165.577   6.9251  165.577   6.9251 -0.000000 0.000000 
1 1 1  -43    0   17 o  119.574   7.5993   99.016   12.200   0.0000   0.0000   99.016   12.200  119.574   7.5993  119.574   7.5993 -0.000000 0.000000 
1 1 1  -43    0   18 o  173.577   6.9483  206.839   16.284   0.0000   0.0000  206.839   16.284  173.577   6.9483  173.577   6.9483 -0.000000 0.000000 
1 1 1  -43    0   19 o  157.759   7.0729  171.107   15.052   0.0000   0.0000  171.107   15.052  157.759   7.0729  157.759   7.0729 -0.000000 0.000000 
1 1 1  -43    0   20 o  145.426   7.3042  145.694   14.312   0.0000   0.0000  145.694   14.312  145.426   7.3042  145.426   7.3042 -0.000000 0.000000 
1 1 1  -43    0   21 o   66.058   12.035   32.955   9.7146   0.0000   0.0000   32.955   9.7146   66.058   12.035   66.058   12.035 -0.000000 0.000000 
1 1 1  -43    0   22 o   63.634   17.649   34.155   13.164   0.0000   0.0000   34.155   13.164   63.634   17.649   63.634   17.649 -0.000000 0.000000 
1 1 1  -43    0   23 f  132.762   10.394  123.792   18.436   0.0000   0.0000  123.792   18.436  132.762   10.394  132.762   10.394 -0.000000 0.000000 
1 1 1  -43    0   24 o  156.301   9.9820  170.372   20.945   0.0000   0.0000  170.372   20.945  156.301   9.9820  156.301   9.9820 -0.000000 0.000000 
1 1 1  -43    0   25 o  168.597   6.7400  197.194   15.271  191.751   21.038  203.257   22.203  166.170   9.4118  171.023   9.6504 -0.000000 0.000000 
1 1 1  -43    0   26 o  119.671   7.6232  102.680   11.853  120.563   16.520   83.709   17.015  131.410   9.3870  107.933   12.014 -0.000000 0.000000 
1 1 1  -43    0   27 o  162.664   6.8626  183.736   14.985  176.150   20.573  192.310   21.872  159.095   9.6228  166.233   9.7869 -0.000000 0.000000 
1 1 1  -43    0   28 o  168.483   6.8483  197.297   15.504  194.624   21.426  200.236   22.463  167.348   9.5185  169.618   9.8485 -0.000000 0.000000 
1 1 1  -43    0   29 o  135.318   7.1484  128.483   12.915  130.561   17.837  126.192   18.726  136.647   9.7463  133.989   10.460 -0.000000 0.000000 
1 1 1  -43    0   30 o  125.553   7.3169  111.072   12.223  112.196   16.774  109.799   17.848  126.430   9.9315  124.675   10.748 -0.000000 0.000000 
1 1 1  -43    0   31 f  162.867   7.0168  185.598   15.292  198.095   21.272  172.235   21.997  168.873   9.3613  156.862   10.455 -0.000000 0.000000 
1 1 1  -43    0   32 o   52.967   18.185   25.651   11.735   25.651   11.735   0.0000   0.0000   52.967   18.185   52.967   18.185 -0.000000 0.000000 
1 1 1  -43    0   33 o   52.227   17.983   24.962   11.454   24.962   11.454   0.0000   0.0000   52.227   17.983   52.227   17.983 -0.000000 0.000000 
1 1 1  -43    0   34 o   43.999   10.613   14.705   7.9434  -0.5659   10.506   35.088   12.137   21.988   14.362   66.010   15.628 -0.000000 0.000000 
1 1 1  -43    0   35 o   61.394   11.769   32.084   8.6880   22.273   11.929   43.165   12.678   47.569   19.058   75.219   13.813 -0.000000 0.000000 
1 1 1  -43    0   36 o   41.012   12.433   16.926   7.8975   23.850   10.959   9.4464   11.391   51.021   17.601   31.004   17.565 -0.000000 0.000000 
1 1 1  -43    0   37 o   25.901   10.524  -2.2124   7.2427 -15.1884   9.6145   14.813   11.013   14.456   10.370   37.345   18.317 -0.000000 0.000000 
1 1 1  -43    0   38 o  137.095   7.2474  132.208   13.270  123.443   18.623  141.248   18.912  132.260   10.545  141.930   9.9453 -0.000000 0.000000 
1 1 1  -43    0   39 o  204.032   6.9647  289.634   19.147  300.244   27.446  279.575   26.725  207.721   9.7998  200.343   9.8990 -0.000000 0.000000 
1 1 1  -43    0   40 o   49.648   13.537   23.965   8.6596   22.314   12.133   25.679   12.363   47.273   19.269   52.024   19.017 -0.000000 0.000000 
1 1 1  -43    0   41 o   91.126   8.7975   61.010   10.245   56.008   14.239   66.378   14.751   86.784   12.959   95.468   11.902 -0.000000 0.000000 
1 1 1  -43    0   42 o   74.790   10.747   44.012   9.5810   39.720   13.615   48.223   13.485   69.873   16.563   79.707   13.699 -0.000000 0.000000 
1 1 1  -43    0   43 o  100.468   8.3086   73.176   10.897   76.573   15.623   69.957   15.207  102.911   11.580   98.025   11.918 -0.000000 0.000000 
1 1 1  -43    0   44 o   53.606   13.558   27.142   9.0134   29.192   12.976   25.231   12.529   56.240   19.025   50.971   19.323 -0.000000 0.000000 
1 1 1  -43    0   45 o  173.397   10.072  210.856   23.485   0.0000   0.0000  210.856   23.485  173.397   10.072  173.397   10.072 -0.000000 0.000000 
1 1 1  -43    0   48 o   21.494   10.005  -3.1395   7.8448 -11.5734   11.578   4.0181   10.666   17.755   12.475   25.233   15.644 -0.000000 0.000000 
1 1 1  -43    0   49 o   40.287   12.763   16.970   8.5230   7.9886   12.591   24.567   11.579   29.789   17.747   50.785   18.348 -0.000000 0.000000 
1 1 1  -43    0   50 o   28.328   11.794   6.6054   7.8003   11.207   11.706   2.9302   10.461   32.509   18.039   24.148   15.196 -0.000000 0.000000 
1 1 1  -43    0   51 o   38.565   12.778   15.944   8.1136   9.7513   11.988   21.179   11.022   31.055   17.845   46.075   18.294 -0.000000 0.000000 
1 1 1  -43    0   52 o   23.171   15.056   0.5132   11.333   0.5132   11.333   0.0000   0.0000   23.171   15.056   23.171   15.056 -0.000000 0.000000 
1 1 1  -43    0   53 o   78.540   15.776   49.070   14.888   49.070   14.888   0.0000   0.0000   78.540   15.776   78.540   15.776 -0.000000 0.000000 
1 1 1  -43    0   54 o   22.703   10.435   0.4904   7.6949   0.0696   11.343   0.8491   10.473   22.853   14.926   22.553   14.587 -0.000000 0.000000 
1 1 1  -43    0   55 o   33.629   13.050   12.300   8.5000   13.453   12.840   11.399   11.341   34.829   19.049   32.428   17.842 -0.000000 0.000000 
1 1 1  -43    0   56 o   22.669   10.335  -1.4371   8.0461 -12.3683   12.396   6.5222   10.577   18.222   12.825   27.115   16.210 -0.000000 0.000000 
1 1 1  -43    0   57 o   68.815   12.531   40.665   10.035   38.804   15.137   42.123   13.404   65.506   19.581   72.125   15.643 -0.000000 0.000000 
1 1 1  -43    0   58 o   39.509   12.917   13.919   8.9580   29.132   13.925   3.1783   11.700   53.904   20.350   25.115   15.916 -0.000000 0.000000 
1 1 1  -43    0   59 f   36.384   13.251   13.111   8.8708   22.850   13.718   6.1116   11.630   45.480   20.621   27.287   16.646 -0.000000 0.000000 
1 1 1  -43    0   60 o  107.173   8.8549   85.694   12.242   79.592   18.076   90.865   16.640  102.657   13.673  111.690   11.256 -0.000000 0.000000 
1 1 1  -43    0   61 o  172.496   7.4804  212.826   17.278  202.890   25.009  221.900   23.899  168.173   11.084  176.820   10.048 -0.000000 0.000000 
1 1 1  -43    0   62 o   83.672   14.393   54.625   14.870   0.0000   0.0000   54.625   14.870   83.672   14.393   83.672   14.393 -0.000000 0.000000 
1 1 1  -43    0   63 o   78.421   15.343   49.254   14.520   0.0000   0.0000   49.254   14.520   78.421   15.343   78.421   15.343 -0.000000 0.000000 
1 1 1  -43    0   64 o   51.884   19.764   27.332   13.081   0.0000   0.0000   27.332   13.081   51.884   19.764   51.884   19.764 -0.000000 0.000000 
1 1 1  -43    0   65 o   84.281   14.410   55.680   15.014   0.0000   0.0000   55.680   15.014   84.281   14.410   84.281   14.410 -0.000000 0.000000 
1 1 1  -43    0   66 o   58.257   18.548   31.722   12.896   0.0000   0.0000   31.722   12.896   58.257   18.548   58.257   18.548 -0.000000 0.000000 
1 1 1  -43    0   67 o   59.272   18.219   32.421   12.797   0.0000   0.0000   32.421   12.797   59.272   18.219   59.272   18.219 -0.000000 0.000000 
1 1 1  -43    1    1 o  102.855   5.1146   73.530   7.1147   68.633   10.096   78.360   10.028   99.357   7.4984  106.353   6.9577 -6.995811 10.22920 
1 1 1  -43    1    2 o   48.161   8.1072   17.185   5.2306   19.886   7.5883   14.740   7.2197   51.858   11.131   44.464   11.790 7.393272 16.21433 
1 1 1  -43    1    3 o   73.312   6.1402   37.590   6.0963   38.709   8.8145   36.563   8.4407   74.339   8.7498   72.284   8.6169 2.054436 12.28047 
1 1 1  -43    1    4 o  138.130   4.8059  131.634   8.9884  138.204   13.022  125.654   12.423  141.418   6.7948  134.843   6.7983 6.575256 9.611733 
1 1 1  -43    1    5 o  120.209   4.9845   99.946   8.1079  100.257   11.795   99.667   11.164  120.321   7.2338  120.097   6.8595 0.2242737 9.968962 
1 1 1  -43    1    6 o   77.862   6.0564   42.457   6.3638   40.369   9.2786   44.312   8.7447   75.924   9.0183   79.799   8.0865 -3.875595 12.11285 
1 1 1  -43    1    7 o   96.127   6.7824   67.277   8.3599   73.960   10.619   56.383   13.557  103.281   7.5872   88.973   11.244 14.30788 13.56473 
1 1 1  -43    1    8 o  148.897   5.8472  154.419   11.242  154.714   13.951  153.872   18.982  149.708   6.8769  148.087   9.4588 1.621368 11.69442 
1 1 1  -43    1    9 o  121.173   5.9774   97.568   9.3938   87.189   11.477  118.630   16.350  112.195   7.5490  130.152   9.2699 -17.95723 11.95484 
1 1 1  -43    1   10 o  118.417   6.1408   95.053   9.3845   89.276   11.478  106.703   16.299  113.579   7.4573  123.255   9.7584 -9.675926 12.28161 
1 1 1  -43    1   11 o  116.194   5.1861   93.320   8.1649   95.007   11.655   91.694   11.441  117.224   7.3371  115.164   7.3313 2.060165 10.37210 
1 1 1  -43    1   12 o   90.960   5.7091   57.407   7.0357   59.103   10.041   55.772   9.8617   92.291   8.0283   89.629   8.1193 2.662140 11.41827 
1 1 1  -43    1   13 o  166.958   4.8110  192.141   10.881  190.273   15.552  193.932   15.229  166.119   6.9086  167.796   6.6974 -1.676880 9.622032 
1 1 1  -43    1   14 o  190.102   4.8208  248.981   12.418  251.727   17.710  246.326   17.416  191.123   6.8380  189.080   6.7972 2.042877 9.641562 
1 1 1  -43    1   15 o  143.860   5.0010  142.766   9.7488  145.071   13.810  140.476   13.764  145.035   7.0264  142.686   7.1184 2.348389 10.00209 
1 1 1  -43    1   16 o   91.970   7.1335   57.938   8.4594   64.215   14.675   54.815   10.352   95.167   11.379   88.773   8.6055 6.393745 14.26699 
1 1 1  -43    1   17 o   76.989   7.9732   41.252   7.9025   44.358   13.656   39.687   9.6897   78.645   12.814   75.334   9.4915 3.310585 15.94630 
1 1 1  -43    1   18 o  237.863   6.0391  386.932   18.343  412.366   32.210  374.723   22.315  242.608   9.7971  233.117   7.0639 9.490616 12.07820 
1 1 1  -43    1   19 o  207.292   6.0401  300.390   16.075  292.911   27.310  304.354   19.884  204.444   9.8576  210.141   6.9826 -5.697144 12.08012 
1 1 1  -43    1   20 o  130.171   5.2824  117.026   9.3108  123.501   13.295  110.795   13.043  133.748   7.3353  126.594   7.6032 7.154488 10.56484 
1 1 1  -43    1   21 o  145.676   5.1283  146.528   10.118  143.117   14.444  149.814   14.177  143.955   7.4041  147.398   7.0978 -3.442444 10.25669 
1 1 1  -43    1   22 o  146.207   5.1728  147.318   10.240  154.100   14.850  141.170   14.140  149.403   7.3346  143.012   7.2962 6.391586 10.34556 
1 1 1  -43    1   23 o  127.646   5.7137  107.188   8.7545  101.024   10.113  125.615   17.485  121.301   6.1524  133.990   9.6298 -12.68946 11.42739 
1 1 1  -43    1   24 o  205.816   5.5308  288.475   13.489  283.505   15.608  303.142   26.813  203.405   5.6624  208.227   9.5024 -4.822113 11.06155 
1 1 1  -43    1   25 o  226.790   5.7123  363.390   15.320  371.150   17.887  342.024   29.682  232.722   5.6718  220.859   9.9174 11.86327 11.42468 
1 1 1  -43    1   26 o   65.657   8.8916   31.013   7.1295   32.306   13.012   30.458   8.5226   65.327   15.013   65.987   9.5308 -0.6605682 17.78313 
1 1 1  -43    1   27 o   76.167   8.7816   45.273   7.7552   34.557   13.940   50.076   9.3327   67.361   15.581   84.973   8.1048 -17.61234 17.56315 
1 1 1  -43    1   28 o  147.698   5.8786  150.424   11.177  154.995   19.157  148.065   13.763  148.837   9.4979  146.559   6.9297 2.278534 11.75719 
1 1 1  -43    1   29 o  204.223   5.8058  288.521   15.213  292.772   26.154  286.347   18.702  204.570   9.4344  203.876   6.7692 0.6943359 11.61165 
1 1 1  -43    1   30 o  173.306   4.8033  207.017   11.277  205.134   16.117  208.822   15.783  172.490   6.8951  174.122   6.6891 -1.632401 9.606563 
1 1 1  -43    1   31 o   98.277   5.5496   67.023   7.3469   76.481   10.522   58.027   10.263  105.177   7.3826   91.376   8.2878 13.80087 11.09916 
1 1 1  -43    1   32 o  128.237   5.0061  113.516   8.6973  109.899   12.212  117.240   12.390  126.142   7.1438  130.331   7.0151 -4.189125 10.01228 
1 1 1  -43    1   33 o  116.444   5.1789   93.768   8.1721   94.158   11.555   93.378   11.559  116.691   7.3071  116.196   7.3410 0.4953308 10.35782 
1 1 1  -43    1   34 o  122.134   5.1757  103.211   8.5638  104.527   12.020  101.854   12.204  122.961   7.2139  121.307   7.4237 1.653748 10.35145 
1 1 1  -43    1   35 o  149.752   6.0195  153.051   11.557  146.514   14.083  166.527   20.221  145.582   7.1386  153.922   9.6943 -8.339874 12.03904 
1 1 1  -43    1   36 o  101.900   6.7333   71.516   8.8536   68.405   10.867   77.658   15.268   99.173   8.0861  104.628   10.769 -5.455482 13.46661 
1 1 1  -43    1   37 o   73.488   6.5591   38.125   6.4675   32.261   9.1652   43.940   9.1278   67.619   10.002   79.357   8.4878 -11.73856 13.11816 
1 1 1  -43    1   38 o  125.945   5.1127  109.577   8.7121  118.508   12.646  101.510   12.019  130.854   7.1317  121.036   7.3278 9.818123 10.22536 
1 1 1  -43    1   39 o  140.772   4.9806  136.750   9.4830  149.139   13.794  125.648   13.058  146.847   6.9318  134.698   7.1538 12.14896 9.961282 
1 1 1  -43    1   40 o   66.998   7.3958   32.446   6.5134   29.065   9.3769   35.598   9.0541   62.885   11.424   71.111   9.3957 -8.225559 14.79163 
1 1 1  -43    1   41 o   46.523   10.393   14.651   7.8896   25.179   11.743   5.9870   10.652   57.079   14.989   35.967   14.401 21.11238 20.78576 
1 1 1  -43    1   42 o  107.531   5.6503   81.285   8.1567   70.170   11.687   91.840   11.389  100.055   8.6196  115.007   7.3078 -14.95194 11.30057 
1 1 1  -43    1   43 o   83.823   8.3217   54.936   8.4123   66.139   10.837   37.955   13.343   97.245   8.2239   70.402   14.470 26.84316 16.64344 
1 1 1  -43    1   44 o  163.754   6.0767  190.559   12.859  196.593   16.116  179.986   21.333  168.291   7.0668  159.217   9.8876 9.074478 12.15334 
1 1 1  -43    1   45 o  133.200   5.1554  123.400   9.2934  124.088   13.509  122.783   12.805  133.466   7.4691  132.934   7.1082 0.5319977 10.31087 
1 1 1  -43    1   46 o  220.008   4.9521  335.815   14.753  351.860   21.331  321.102   20.427  225.045   6.9946  214.971   7.0119 10.07405 9.904123 
1 1 1  -43    1   47 o  208.897   6.1033  308.885   16.281  302.673   27.951  312.075   20.030  205.915   10.017  211.879   6.9759 -5.963760 12.20654 
1 1 1  -43    1   48 o   78.870   7.7685   41.180   7.8816   58.051   14.148   33.588   9.4907   89.271   11.695   68.468   10.229 20.80296 15.53697 
1 1 1  -43    1   49 o  123.668   5.3408  106.885   8.9396  114.287   12.816   99.870   12.476  127.916   7.3934  119.420   7.7094 8.496010 10.68158 
1 1 1  -43    1   50 o  159.899   6.4982  183.665   13.008  176.147   23.001  187.200   15.772  155.963   10.883  163.835   7.1041 -7.871658 12.99633 
1 1 1  -43    1   51 o  183.182   6.6430  238.957   15.047  240.027   27.509  238.501   17.974  181.566   11.180  184.797   7.1775 -3.230804 13.28595 
1 1 1  -43    1   52 o  117.639   7.9330  101.826   12.490  116.805   17.460   86.128   17.874  127.364   10.116  107.913   12.223 19.45093 15.86592 
1 1 1  -43    1   53 o   89.026   6.3959   56.456   7.7156   55.652   10.826   57.286   10.999   88.385   9.0386   89.668   9.0519 -1.282028 12.79188 
1 1 1  -43    1   54 o   92.356   7.7426   61.747   9.0327   60.839   10.951   63.679   15.976   92.509   8.7355   92.204   12.786 0.3042145 15.48524 
1 1 1  -43    1   55 o  104.607   7.9151   85.034   10.070   94.090   12.335   66.939   17.436  115.492   7.8815   93.722   13.729 21.76918 15.83021 
1 1 1  -43    1   56 o  168.210   5.1099  198.517   11.639  188.681   16.374  208.562   16.546  163.880   7.3731  172.540   7.0767 -8.659668 10.21973 
1 1 1  -43    1   57 o  104.466   5.8368   77.502   8.2437   83.797   11.708   71.314   11.609  108.854   7.9373  100.078   8.5599 8.775940 11.67359 
1 1 1  -43    1   58 o   65.072   7.9311   31.584   6.8440   33.443   9.7936   29.810   9.5681   67.559   10.697   62.585   11.712 4.973419 15.86216 
1 1 1  -43    1   59 o   26.937   8.2731  -0.1026   5.7063  -3.1033   8.2760   2.6166   7.8784   24.976   11.322   28.897   12.065 -3.920275 16.54610 
1 1 1  -43    1   60 o   64.174   8.2806   31.716   6.8973   22.438   9.7492   41.012   9.7592   53.074   13.518   75.273   9.5673 -22.19880 16.56111 
1 1 1  -43    1   61 o  111.441   6.8231   90.256   9.9632   90.730   12.638   89.479   16.195  112.812   8.2669  110.070   10.857 2.741104 13.64618 
1 1 1  -43    1   62 o  118.145   6.9529  103.185   10.572  107.151   13.251   96.238   17.538  122.743   7.9663  113.546   11.398 9.196793 13.90583 
1 1 1  -43    1   63 f   76.824   10.011   46.773   10.198   50.969   14.730   42.911   14.132   81.081   13.407   72.568   14.871 8.512360 20.02177 
1 1 1  -43    1   64 o   87.410   9.1229   59.092   10.748   54.681   15.516   63.160   14.902   83.591   13.697   91.230   12.054 -7.639030 18.24577 
1 1 1  -43    1   65 o   55.691   11.563   26.964   9.3917   23.353   13.783   30.095   12.832   51.812   16.997   59.570   15.681 -7.757904 23.12586 
1 1 1  -43    1   66 o  114.849   7.8544   99.146   12.218   97.819   17.473  100.415   17.090  113.877   11.323  115.821   10.889 -1.944748 15.70877 
1 1 1  -43    1   67 o   61.186   15.255   31.751   12.605   0.0000   0.0000   31.751   12.605  ?   ?    61.186   15.255      ?      ? 
1 1 1  -43    1   68 o   33.668   14.275   4.6304   11.296   0.0000   0.0000   4.6304   11.296  ?   ?    33.668   14.275      ?      ? 
1 1 1  -43    2    1 o   55.302   9.2893   22.985   6.5312   22.709   7.9256   23.568   11.529   55.501   10.927   55.103   15.026 0.3980789 18.57854 
1 1 1  -43    2    2 o   57.410   9.0165   25.059   6.6093   26.366   8.0639   22.383   11.536   61.047   9.7476   53.774   15.172 7.272839 18.03304 
1 1 1  -43    2    3 o  162.389   5.8491  187.053   12.164  193.631   15.106  174.923   20.514  167.372   6.6601  157.406   9.6173 9.966522 11.69824 
1 1 1  -43    2    4 o  162.293   5.8530  184.155   12.237  184.809   15.157  182.932   20.738  163.464   6.8423  161.121   9.4980 2.343582 11.70598 
1 1 1  -43    2    5 o  106.676   5.1906   78.951   7.4864   78.238   10.933   79.581   10.273  106.134   7.6016  107.218   7.0701 -1.083900 10.38127 
1 1 1  -43    2    6 o  156.679   4.7421  169.680   10.056  164.904   14.444  174.172   14.009  154.450   6.9012  158.907   6.5056 -4.456802 9.484162 
1 1 1  -43    2    7 o  144.186   4.8725  143.964   9.4892  139.048   13.845  148.319   13.031  141.728   7.2089  146.645   6.5574 -4.917358 9.745082 
1 1 1  -43    2    8 o  189.660   5.8777  248.706   13.986  255.729   25.164  245.566   16.824  190.609   9.7422  188.711   6.5788 1.898010 11.75548 
1 1 1  -43    2    9 o  163.473   5.8896  183.129   12.092  194.205   21.880  178.259   14.509  166.174   9.7162  160.772   6.6593 5.401901 11.77929 
1 1 1  -43    2   10 o  140.914   5.9891  131.912   10.567  155.526   19.667  122.327   12.530  148.728   9.7581  133.100   6.9466 15.62810 11.97816 
1 1 1  -43    2   11 o  132.738   6.1951  123.480   10.285  121.502   18.395  124.380   12.405  131.200   10.346  134.276   6.8173 -3.075821 12.39018 
1 1 1  -43    2   12 o  151.158   4.9180  157.263   10.048  163.503   14.855  152.001   13.642  153.845   7.1254  148.470   6.7805 5.375153 9.836012 
1 1 1  -43    2   13 o  147.992   4.9673  151.383   9.9389  139.559   14.042  163.252   14.069  142.088   7.2927  153.896   6.7463 -11.80840 9.934607 
1 1 1  -43    2   14 o  106.275   6.6031   78.144   9.0848   76.058   11.233   82.089   15.447  104.722   7.9155  107.827   10.571 -3.104698 13.20622 
1 1 1  -43    2   15 o  161.431   6.0168  180.947   12.445  180.143   15.291  182.524   21.418  161.593   6.9829  161.269   9.8005 0.3248138 12.03370 
1 1 1  -43    2   16 o  161.696   4.9080  179.959   10.744  188.923   15.612  171.895   14.808  165.505   6.9609  157.887   6.9211 7.618515 9.816063 
1 1 1  -43    2   17 o  147.626   5.0348  150.674   10.054  143.062   14.387  157.939   14.056  143.876   7.3790  151.377   6.8519 -7.500534 10.06960 
1 1 1  -43    2   18 o  162.683   4.9645  182.626   10.934  180.584   15.754  184.523   15.189  161.736   7.1877  163.630   6.8500 -1.893753 9.929050 
1 1 1  -43    2   19 o  111.065   5.5351   85.336   8.3224   87.732   12.099   83.184   11.465  112.509   7.9359  109.620   7.7182 2.888611 11.07019 
1 1 1  -43    2   20 o  102.994   5.6948   73.441   7.9321   80.263   11.452   67.151   10.997  107.643   7.8508   98.345   8.2516 9.297127 11.38969 
1 1 1  -43    2   21 o  149.098   5.8151  158.204   10.025  162.118   11.589  146.561   19.986  153.824   5.5595  144.372   10.215 9.452332 11.63017 
1 1 1  -43    2   22 o  145.410   5.7035  146.251   9.6938  145.877   11.180  147.383   19.457  145.887   5.6552  144.933   9.9064 0.9547882 11.40696 
1 1 1  -43    2   23 o  110.907   6.6784   87.918   9.2770   91.394   11.307   80.756   16.228  115.049   7.2522  106.764   11.217 8.284592 13.35681 
1 1 1  -43    2   24 o  118.968   6.6064  103.518   9.8345  113.154   12.182   85.486   16.664  128.087   7.0184  109.850   11.195 18.23727 13.21278 
1 1 1  -43    2   25 o  161.202   6.1089  186.409   12.614  200.717   15.869  161.855   20.788  170.653   6.8619  151.752   10.109 18.90144 12.21775 
1 1 1  -43    2   26 o  155.881   5.6667  172.980   10.501  178.324   12.328  158.855   20.044  161.290   5.6405  150.472   9.8300 10.81793 11.33334 
1 1 1  -43    2   27 o  169.758   5.5211  197.725   11.195  195.569   13.030  203.804   21.877  168.884   5.6933  170.633   9.4613 -1.749115 11.04221 
1 1 1  -43    2   28 o  165.745   4.7595  189.271   10.688  183.773   15.049  194.866   15.181  163.288   6.8009  168.202   6.6602 -4.914307 9.518970 
1 1 1  -43    2   29 o  107.913   6.9425   84.942   9.1564   73.785   16.415   89.981   11.032  101.674   11.913  114.152   7.1318 -12.47768 13.88498 
1 1 1  -43    2   30 o  159.082   6.1392  179.986   12.177  166.640   21.536  186.259   14.764  153.731   10.337  164.432   6.6256 -10.70074 12.27847 
1 1 1  -43    2   31 o  149.062   4.9002  153.201   9.8940  158.211   14.250  148.539   13.748  151.407   6.9454  146.718   6.9145 4.689178 9.800472 
1 1 1  -43    2   32 o  143.665   4.9423  142.447   9.6188  147.566   13.756  137.549   13.455  146.208   6.9430  141.123   7.0356 5.084412 9.884553 
1 1 1  -43    2   33 o  147.967   4.9216  151.053   9.8639  156.458   14.205  146.018   13.708  150.520   6.9639  145.414   6.9563 5.105469 9.843114 
1 1 1  -43    2   34 o  171.616   4.8571  203.295   11.292  205.275   16.208  201.426   15.742  172.396   6.9376  170.836   6.7998 1.559830 9.714289 
1 1 1  -43    2   35 o  196.651   4.8953  267.148   13.045  270.575   18.523  263.776   18.375  197.911   6.9064  195.391   6.9395 2.520248 9.790598 
1 1 1  -43    2   36 o  137.114   7.0553  132.251   13.056  149.577   18.993  116.730   17.977  145.797   9.6133  128.430   10.329 17.36685 14.11053 
1 1 1  -43    2   37 o  163.680   6.0354  187.149   12.666  187.176   15.595  187.098   21.709  164.504   6.9957  162.856   9.8370 1.647980 12.07087 
1 1 1  -43    2   38 o  111.618   6.5892   88.737   9.5249   91.862   11.981   83.368   15.701  114.971   7.6901  108.265   10.702 6.705986 13.17838 
1 1 1  -43    2   39 o  167.886   4.9156  194.317   11.161  210.724   16.356  180.020   15.268  174.510   6.9163  161.262   6.9868 13.24834 9.831156 
1 1 1  -43    2   40 o  151.047   6.1323  162.363   11.929  168.701   14.924  151.147   19.853  156.037   7.0577  146.057   10.031 9.979187 12.26470 
1 1 1  -43    2   41 o   61.401   9.2243   28.368   7.2777   28.283   9.2764   28.504   11.736   61.909   11.480   60.893   14.442 1.016308 18.44859 
1 1 1  -43    2   42 o   37.018   8.8487   9.3447   5.5497   4.4981   8.3097   13.247   7.4565   31.857   12.732   42.178   12.292 -10.32191 17.69749 
1 1 1  -43    2   43 o  104.317   5.5500   75.988   7.8352   75.306   11.346   76.610   10.833  103.783   8.0671  104.851   7.6244 -1.067474 11.10001 
1 1 1  -43    2   44 o  172.269   4.8995  206.075   11.428  201.378   16.373  210.537   15.959  170.255   7.0965  174.284   6.7574 -4.029373 9.799087 
1 1 1  -43    2   45 o  165.508   4.9760  189.948   11.148  199.856   16.226  181.090   15.343  169.573   7.0612  161.443   7.0130 8.129883 9.951985 
1 1 1  -43    2   46 o   63.382   7.7066   29.146   6.4396   33.930   9.4573   25.010   8.7929   68.911   10.127   57.852   11.619 11.05915 15.41329 
1 1 1  -43    2   47 o   55.013   8.6298   22.842   6.2579   24.098   9.1442   21.736   8.5825   56.419   12.307   53.607   12.101 2.811790 17.25953 
1 1 1  -43    2   48 o  128.268   6.7003  118.102   10.666  114.299   19.192  119.801   12.829  125.471   11.287  131.064   7.2234 -5.593315 13.40068 
1 1 1  -43    2   49 o  116.115   7.5745   94.379   11.919   0.0000   0.0000   94.379   11.919  ?   ?   116.115   7.5745      ?      ? 
1 1 1  -43    2   50 o  223.423   5.0634  346.756   15.291  375.354   22.613  322.660   20.756  231.835   7.1976  215.012   7.1236 16.82271 10.12677 
1 1 1  -43    2   51 o  139.243   5.2624  135.653   9.9180  138.676   14.441  132.954   13.645  140.626   7.5780  137.860   7.3038 2.766083 10.52487 
1 1 1  -43    2   52 o  110.519   5.5784   85.603   8.3352   93.700   12.230   78.580   11.390  115.414   7.8197  105.624   7.9577 9.790726 11.15671 
1 1 1  -43    2   53 o  149.154   5.1716  155.993   10.446  151.047   14.866  160.818   14.682  146.705   7.4774  151.603   7.1464 -4.898026 10.34324 
1 1 1  -43    2   54 o  129.499   5.3540  117.903   9.3948  117.815   13.374  117.989   13.201  129.418   7.6255  129.580   7.5175 -0.1624298 10.70805 
1 1 1  -43    2   55 o  120.223   7.3151  108.915   10.860  116.356   13.253   93.709   18.947  128.568   7.6070  111.878   12.497 16.69032 14.63011 
1 1 1  -43    2   56 o  119.911   7.2097  106.281   10.841  110.066   13.247   98.606   18.865  124.847   7.8301  114.976   12.108 9.871040 14.41931 
1 1 1  -43    2   57 o  108.318   6.0655   84.415   8.7169   65.152   12.257  104.127   12.399   95.073   9.5137  121.564   7.5267 -26.49033 12.13103 
1 1 1  -43    2   58 o   80.612   10.037   50.383   10.684   44.010   14.374   58.248   15.969   74.074   14.837   87.150   13.522 -13.07614 20.07440 
1 1 1  -43    2   59 o  166.296   7.5365  195.234   16.984  195.234   16.984   0.0000   0.0000  166.296   7.5365  ?   ?       ?      ? 
1 1 1  -43    2   60 o  103.125   7.3807   79.061   9.8401   82.224   12.407   73.697   16.157  107.245   8.5367   99.005   12.043 8.240440 14.76136 
1 1 1  -43    2   61 o  135.413   6.4967  132.072   11.420  131.398   14.263  133.274   19.060  136.145   7.7310  134.680   10.443 1.464584 12.99343 
1 1 1  -43    2   62 o   63.171   9.7548   31.851   7.9261   31.598   10.050   32.268   12.892   63.974   12.035   62.367   15.356 1.606518 19.50968 
1 1 1  -43    2   63 o   51.945   9.7166   23.278   7.6665   32.111   9.9261   10.218   12.070   64.584   11.775   39.305   15.459 25.27828 19.43326 
1 1 1  -43    2   64 o   58.047   11.173   28.386   9.1125   34.430   13.324   23.076   12.490   64.067   15.513   52.027   16.084 12.03957 22.34603 
1 1 1  -43    2   65 o   80.105   12.680   49.545   13.765   0.0000   0.0000   49.545   13.765  ?   ?    80.105   12.680      ?      ? 
1 1 1  -43    2   66 o  102.155   11.042   78.466   15.285   0.0000   0.0000   78.466   15.285  ?   ?   102.155   11.042      ?      ? 
1 1 1  -43    2   67 o   95.381   11.749   69.605   15.187   0.0000   0.0000   69.605   15.187  ?   ?    95.381   11.749      ?      ? 
1 1 1  -43    2   68 o  117.798   10.861  104.840   17.337   0.0000   0.0000  104.840   17.337  ?   ?   117.798   10.861      ?      ? 
1 1 1  -43    2   69 o   83.036   12.964   54.724   14.587   0.0000   0.0000   54.724   14.587  ?   ?    83.036   12.964      ?      ? 
1 1 1  -43    3    1 o   52.087   7.5212   19.361   5.2146   25.976   7.8984   14.249   6.9429   60.535   9.6284   43.640   11.557 16.89494 15.04237 
1 1 1  -43    3    2 o  102.719   5.1864   73.575   7.1857   70.749   10.557   76.014   9.8088  100.730   7.7337  104.708   6.9128 -3.978104 10.37287 
1 1 1  -43    3    3 o   96.744   5.3596   64.854   7.0089   69.402   10.370   61.029   9.5098   99.824   7.6661   93.665   7.4922 6.158546 10.71925 
1 1 1  -43    3    4 o  140.154   4.7733  135.900   9.0484  136.091   13.213  135.731   12.417  140.156   6.9565  140.151   6.5380 0.5508423E-02 9.546688 
1 1 1  -43    3    5 o  166.249   4.7069  190.686   10.585  196.796   15.523  185.376   14.472  168.666   6.7917  163.831   6.5186 4.834259 9.413737 
1 1 1  -43    3    6 o  200.313   4.7314  277.099   12.829  281.318   18.647  273.308   17.678  201.682   6.8227  198.945   6.5571 2.737717 9.462811 
1 1 1  -43    3    7 o  177.530   4.7135  217.822   11.323  215.115   16.405  220.286   15.648  176.374   6.8636  178.686   6.4623 -2.311798 9.427090 
1 1 1  -43    3    8 o  140.343   4.8665  135.985   9.2444  139.748   13.468  132.632   12.712  142.132   6.9923  138.554   6.7704 3.577148 9.732980 
1 1 1  -43    3    9 o  103.096   6.5074   75.601   8.6986   78.435   10.963   70.786   14.291  106.301   7.6107   99.890   10.557 6.411118 13.01471 
1 1 1  -43    3   10 o   78.963   7.2099   43.386   7.4568   41.479   9.3293   46.760   12.408   76.974   8.9438   80.951   11.311 -3.976830 14.41987 
1 1 1  -43    3   11 f  113.621   5.1900   88.951   7.9709   96.510   11.778   82.563   10.827  118.044   7.3628  109.198   7.3167 8.846893 10.37997 
1 1 1  -43    3   12 o  192.199   4.7843  253.749   12.431  273.247   18.359  237.242   16.893  198.963   6.8092  185.435   6.7226 13.52821 9.568605 
1 1 1  -43    3   13 o  210.158   4.8477  304.889   13.793  304.389   19.921  305.349   19.118  209.908   7.0031  210.407   6.7050 -0.4992065 9.695398 
1 1 1  -43    3   14 o  137.580   5.0096  129.087   9.2706  152.849   13.980  110.438   12.385  148.789   6.9337  126.370   7.2323 22.41959 10.01911 
1 1 1  -43    3   15 o  124.752   5.1706  107.792   8.7108  105.871   12.795  109.452   11.892  123.598   7.6392  125.906   6.9700 -2.308548 10.34110 
1 1 1  -43    3   16 o  193.693   6.0468  260.537   14.640  263.686   26.410  259.141   17.590  193.500   10.072  193.886   6.6946 -0.3856506 12.09359 
1 1 1  -43    3   17 o  161.264   6.1135  174.555   12.343  199.164   22.825  164.385   14.674  168.226   10.013  154.302   7.0177 13.92470 12.22695 
1 1 1  -43    3   18 o  155.622   7.2400  170.388   15.254  180.718   22.074  160.948   21.102  160.169   10.170  151.076   10.307 9.093063 14.48008 
1 1 1  -43    3   19 o  123.170   7.7701  107.281   12.949  112.059   18.965  103.107   17.725  125.660   11.137  120.681   10.838 4.979347 15.54023 
1 1 1  -43    3   20 o   88.760   6.2885   51.200   6.7123   47.171   7.7343   63.495   13.511   82.691   6.9021   94.828   10.514 -12.13746 12.57695 
1 1 1  -43    3   21 o   70.478   8.0308   38.030   6.2037   40.194   7.1695   31.581   12.376   76.326   6.9316   64.631   14.489 11.69515 16.06153 
1 1 1  -43    3   22 f   52.952   8.3236   25.374   5.8176   31.998   6.7916   7.1182   11.275   68.022   7.3678   37.882   14.928 30.14020 16.64727 
1 1 1  -43    3   23 o   98.189   6.2456   67.108   7.2380   66.948   8.3924   67.570   14.300   98.664   6.2769   97.715   10.800 0.9492416 12.49119 
1 1 1  -43    3   24 o  132.551   5.6619  120.651   8.9001  119.254   10.318  124.710   17.591  131.829   5.7757  133.274   9.7401 -1.444931 11.32378 
1 1 1  -43    3   25 o  149.502   5.6058  156.528   9.9975  158.224   11.694  151.924   19.270  151.876   5.6821  147.128   9.6650 4.747833 11.21157 
1 1 1  -43    3   26 o  169.869   5.6679  205.133   11.439  210.805   13.414  190.014   21.902  175.311   5.6465  164.427   9.8294 10.88454 11.33576 
1 1 1  -43    3   27 o  199.063   5.5714  276.955   13.323  279.413   15.639  270.448   25.444  201.794   5.7188  196.332   9.5633 5.462082 11.14275 
1 1 1  -43    3   28 o  124.145   5.9546  111.625   8.8947  117.542   10.586   97.416   16.405  130.801   5.9722  117.490   10.303 13.31094 11.90919 
1 1 1  -43    3   29 o  135.272   5.7416  129.775   9.3992  133.216   11.136  121.254   17.526  139.263   5.9010  131.282   9.8511 7.981384 11.48326 
1 1 1  -43    3   30 o  215.076   4.8313  319.309   14.075  308.174   19.859  330.549   19.953  211.247   6.9371  218.904   6.7262 -7.657730 9.662549 
1 1 1  -43    3   31 o  200.480   6.6996  282.208   18.201  280.735   25.763  283.676   25.717  199.932   9.5088  201.027   9.4403 -1.095200 13.39915 
1 1 1  -43    3   32 o  110.708   7.2668   90.287   9.5157   78.523   17.941   94.892   11.225  104.267   12.698  117.149   7.0704 -12.88244 14.53352 
1 1 1  -43    3   33 o   78.149   8.6384   46.817   7.7012   39.375   14.460   49.764   9.0991   71.697   15.346   84.601   7.9367 -12.90437 17.27684 
1 1 1  -43    3   34 o  111.482   5.2278   86.235   7.8845   84.484   11.413   87.832   10.905  110.315   7.6348  112.649   7.1434 -2.333313 10.45552 
1 1 1  -43    3   35 o  140.993   4.9514  137.206   9.4468  143.505   13.819  131.681   12.943  143.990   7.0823  137.996   6.9213 5.994034 9.902701 
1 1 1  -43    3   36 o  163.530   6.1599  194.907   12.921  218.569   16.544  157.891   20.692  177.782   6.8668  149.277   10.229 28.50481 12.31985 
1 1 1  -43    3   37 o  198.652   5.9152  275.363   15.230  274.508   18.965  276.916   25.559  199.101   7.0292  198.203   9.5159 0.8980255 11.83049 
1 1 1  -43    3   38 o  166.630   5.9342  194.921   12.822  196.940   16.033  191.339   21.357  168.610   7.0168  164.650   9.5719 3.959717 11.86831 
1 1 1  -43    3   39 o  143.241   6.1155  143.733   11.321  143.465   14.057  144.226   19.099  143.783   7.2146  142.699   9.8767 1.084534 12.23105 
1 1 1  -43    3   40 o  118.595   6.4045   98.430   9.7825   97.136   12.067  100.912   16.707  118.149   7.5371  119.041   10.357 -0.8927307 12.80908 
1 1 1  -43    3   41 o  108.491   5.4170   81.630   7.9425   90.198   11.672   74.243   10.839  113.802   7.5689  103.179   7.7517 10.62290 10.83406 
1 1 1  -43    3   42 o   42.220   9.1773   13.227   5.7480   13.995   8.4549   12.567   7.8378   43.244   13.211   41.196   12.742 2.048069 18.35457 
1 1 1  -43    3   43 o   76.913   6.4495   41.726   6.7158   43.209   9.7624   40.393   9.2531   78.177   9.2150   75.650   9.0260 2.526756 12.89901 
1 1 1  -43    3   44 o   89.566   5.9343   56.375   7.1947   56.132   10.406   56.597   9.9587   89.301   8.5986   89.830   8.1808 -0.5290680 11.86851 
1 1 1  -43    3   45 o   94.526   7.2041   64.789   8.4946   61.454   15.052   66.348   10.290   91.679   12.116   97.373   7.7981 -5.693253 14.40819 
1 1 1  -43    3   46 o  134.863   6.5726  131.384   11.000  122.946   19.614  135.255   13.285  130.333   11.106  139.393   7.0332 -9.059784 13.14526 
1 1 1  -43    3   47 o  139.190   5.1545  135.964   9.6593  120.773   13.829  150.435   13.498  131.277   7.7735  147.104   6.7710 -15.82648 10.30891 
1 1 1  -43    3   48 o  135.690   5.2246  129.373   9.5523  119.294   13.875  138.455   13.171  130.368   7.8536  141.011   6.8924 -10.64294 10.44918 
1 1 1  -43    3   49 o  112.411   5.4955   88.188   8.3449   95.538   12.417   82.134   11.269  116.614   7.8574  108.208   7.6852 8.406319 10.99097 
1 1 1  -43    3   50 o   69.049   9.0981   36.301   7.5913   35.391   13.807   36.696   9.0882   66.401   15.608   71.697   9.3539 -5.296181 18.19618 
1 1 1  -43    3   51 o  154.117   6.2097  168.247   12.168  170.046   21.219  167.365   14.853  153.486   10.202  154.748   7.0828 -1.262222 12.41932 
1 1 1  -43    3   52 o   99.383   5.8836   69.321   7.8733   81.211   11.676   59.407   10.662  107.278   8.0317   91.487   8.5998 15.79122 11.76710 
1 1 1  -43    3   53 o   51.496   9.0002   21.010   6.3408   15.933   9.4292   25.202   8.5672   45.204   13.975   57.788   11.345 -12.58416 18.00033 
1 1 1  -43    3   54 o  126.353   5.3666  112.303   9.1763  113.668   13.362  111.084   12.624  126.968   7.7660  125.738   7.4087 1.230568 10.73314 
1 1 1  -43    3   55 o   87.816   6.3609   55.306   7.5435   52.816   10.956   57.550   10.402   85.700   9.4336   89.931   8.5354 -4.230614 12.72187 
1 1 1  -43    3   56 o  145.828   6.6099  146.473   12.147  135.946   14.498  171.264   22.249  138.767   7.7099  152.888   10.739 -14.12077 13.21970 
1 1 1  -43    3   57 o  122.214   7.9818  105.854   13.219  105.854   13.219   0.0000   0.0000  122.214   7.9818  ?   ?       ?      ? 
1 1 1  -43    3   58 o  137.120   6.3553  134.799   11.393  134.306   14.365  135.635   18.708  137.814   7.6916  136.426   10.119 1.388641 12.71051 
1 1 1  -43    3   59 o   79.781   7.9373   45.585   8.4004   39.452   10.632   55.774   13.704   73.196   10.719   86.366   11.709 -13.17035 15.87455 
1 1 1  -43    3   60 o  142.591   6.3394  142.323   11.820  131.782   14.677  161.773   19.938  136.174   7.9538  149.009   9.8737 -12.83562 12.67885 
1 1 1  -43    3   61 o   86.878   7.7821   52.342   8.8547   40.457   11.006   74.154   14.909   73.820   11.002   99.935   11.009 -26.11503 15.56423 
1 1 1  -43    3   62 o  105.880   6.9256   79.758   9.5731   74.252   11.876   89.971   16.176  101.662   8.6207  110.099   10.842 -8.437210 13.85129 
1 1 1  -43    3   63 o   31.707   9.6842  -1.4099   8.5003 -15.8601   13.093   9.1194   11.176   25.714   12.421   37.699   14.861 -11.98462 19.36831 
1 1 1  -43    3   66 o   91.971   12.621   65.789   15.730   0.0000   0.0000   65.789   15.730  ?   ?    91.971   12.621      ?      ? 
1 1 1  -43    3   67 o   57.057   15.892   28.478   12.743   0.0000   0.0000   28.478   12.743  ?   ?    57.057   15.892      ?      ? 
1 1 1  -43    3   68 o   89.124   12.280   62.011   14.831   0.0000   0.0000   62.011   14.831  ?   ?    89.124   12.280      ?      ? 
1 1 1  -43    3   69 o   83.746   12.805   55.749   14.532   0.0000   0.0000   55.749   14.532  ?   ?    83.746   12.805      ?      ? 
1 1 1  -43    3   70 o   44.151   15.942   17.009   12.226   0.0000   0.0000   17.009   12.226  ?   ?    44.151   15.942      ?      ? 
1 1 1  -43    4    1 o   86.806   6.6734   53.810   6.9782   52.603   13.221   54.277   8.2159   85.204   11.450   88.408   6.8577 -3.204597 13.34685 
1 1 1  -43    4    2 o   82.801   6.6230   45.162   6.8004   57.329   13.038   40.615   7.9704   89.343   10.769   76.259   7.7128 13.08486 13.24597 
1 1 1  -43    4    3 o  130.197   6.2091  127.019   9.7323  100.665   17.351  139.117   11.756  118.439   10.811  141.955   6.1110 -23.51560 12.41829 
1 1 1  -43    4    4 o   93.282   6.4712   55.646   7.4545   76.135   14.572   48.384   8.6755  103.269   10.413   83.296   7.6858 19.97328 12.94233 
1 1 1  -43    4    5 o   63.441   8.3460   27.189   6.3571   35.545   12.373   24.192   7.4098   68.354   13.833   58.529   9.3423 9.825203 16.69205 
1 1 1  -43    4    6 o  143.865   6.0145  146.724   10.618  140.853   19.474  149.207   12.666  140.739   10.211  146.990   6.3587 -6.251724 12.02901 
1 1 1  -43    4    7 o  141.759   6.1185  144.430   10.638  132.058   19.259  149.863   12.762  136.194   10.435  147.324   6.3921 -11.13042 12.23697 
1 1 1  -43    4    8 o  123.891   6.0866  103.099   9.3792  118.930   17.580   96.800   11.089  129.545   10.014  118.236   6.9210 11.30913 12.17324 
1 1 1  -43    4    9 o  108.803   6.7224   87.280   8.8577   74.187   15.995   93.072   10.638  101.595   11.618  116.011   6.7665 -14.41592 13.44471 
1 1 1  -43    4   10 o  104.669   5.3323   75.947   7.5280   77.702   11.253   74.525   10.128  105.650   7.8597  103.688   7.2081 1.962036 10.66451 
1 1 1  -43    4   11 o   73.576   6.2329   37.722   6.1916   40.261   9.2533   35.664   8.3315   75.751   9.0143   71.402   8.6105 4.348701 12.46586 
1 1 1  -43    4   12 o   66.923   7.3614   31.539   6.2481   46.497   9.5574   20.374   8.2568   81.533   8.6501   52.313   11.914 29.21996 14.72281 
1 1 1  -43    4   13 o  255.112   6.0099  454.708   19.941  455.155   24.963  453.920   33.147  256.373   7.1852  253.851   9.6358 2.522781 12.01982 
1 1 1  -43    4   14 o  208.758   5.7759  303.163   15.774  301.925   19.872  305.273   25.935  208.931   7.0188  208.586   9.1751 0.3454285 11.55187 
1 1 1  -43    4   15 o  218.854   5.8101  334.573   16.638  337.225   21.032  330.139   27.198  220.822   7.0284  216.885   9.2537 3.936829 11.62023 
1 1 1  -43    4   16 o  208.620   4.8479  300.901   13.687  294.891   19.754  306.451   18.982  206.495   7.0592  210.746   6.6467 -4.251053 9.695887 
1 1 1  -43    4   17 o  121.698   5.2233  103.292   8.5519   92.098   12.337  113.646   11.865  115.112   7.9085  128.283   6.8254 -13.17090 10.44657 
1 1 1  -43    4   18 o  154.505   4.9687  163.930   10.369  180.569   15.414  150.178   14.013  161.613   7.0379  147.396   7.0157 14.21721 9.937387 
1 1 1  -43    4   19 o  219.904   5.4062  335.530   14.260  335.623   16.685  335.277   27.463  221.165   5.5670  218.642   9.2691 2.523117 10.81237 
1 1 1  -43    4   20 o  178.596   5.4059  225.487   11.615  230.875   13.700  211.721   21.900  183.460   5.5106  173.733   9.3020 9.727356 10.81172 
1 1 1  -43    4   21 o  106.165   6.0990   77.525   8.7745   77.525   8.7745   0.0000   0.0000  106.165   6.0990  ?   ?       ?      ? 
1 1 1  -43    4   22 o   97.868   6.3321   65.958   8.3980   65.958   8.3980   0.0000   0.0000   97.868   6.3321  ?   ?       ?      ? 
1 1 1  -43    4   23 o  187.707   5.3238  235.432   11.956  225.944   13.834  263.422   23.761  181.443   5.6265  193.971   9.0396 -12.52774 10.64758 
1 1 1  -43    4   24 o  210.979   5.4555  311.452   13.886  314.656   16.347  303.149   26.318  214.113   5.6338  207.845   9.3441 6.268066 10.91106 
1 1 1  -43    4   25 o  146.963   5.6188  151.722   9.9820  153.789   11.776  146.447   18.812  149.624   5.8081  144.302   9.6203 5.322250 11.23760 
1 1 1  -43    4   26 o  121.181   6.7716  103.418   11.098  106.554   15.381  100.013   16.029  123.267   9.2078  119.095   9.9316 4.171860 13.54321 
1 1 1  -43    4   27 o  219.528   6.0067  340.104   17.236  352.072   21.930  320.761   27.878  225.553   7.1746  213.502   9.6356 12.05069 12.01332 
1 1 1  -43    4   28 o  231.698   5.5993  374.362   15.659  375.752   18.410  370.725   29.782  233.846   5.8095  229.550   9.5739 4.295578 11.19864 
1 1 1  -43    4   29 o  210.472   5.6125  313.418   14.278  320.399   16.885  295.899   26.748  215.942   5.7702  205.001   9.6284 10.94063 11.22500 
1 1 1  -43    4   30 o  255.376   5.7465  459.049   17.720  465.148   20.892  443.417   33.449  260.068   5.9280  250.684   9.8463 9.383667 11.49308 
1 1 1  -43    4   31 f   69.668   7.3367   31.868   6.5363   27.248   7.8301   42.490   11.871   62.267   9.2795   77.069   11.367 -14.80159 14.67347 
1 1 1  -43    4   32 o   64.833   8.7262   32.880   7.1120   38.538   9.0515   23.752   11.497   74.111   9.0127   55.555   14.945 18.55634 17.45244 
1 1 1  -43    4   33 o  104.097   6.4973   77.066   8.7577   79.487   11.001   72.877   14.471  106.953   7.5904  101.241   10.547 5.711609 12.99466 
1 1 1  -43    4   34 o  119.621   6.5820  102.818   9.6602   95.465   17.543  106.018   11.573  115.474   11.211  123.767   6.9001 -8.292908 13.16407 
1 1 1  -43    4   35 o  113.155   6.7190   92.836   9.2960   84.075   16.848   96.670   11.146  108.168   11.494  118.142   6.9621 -9.973190 13.43804 
1 1 1  -43    4   36 o  145.650   4.9214  146.513   9.6978  157.307   14.174  137.011   13.298  150.686   6.9410  140.613   6.9787 10.07343 9.842710 
1 1 1  -43    4   37 o  144.270   4.9959  145.001   9.7216  133.997   14.052  155.102   13.463  138.799   7.4710  149.740   6.6349 -10.94025 9.991879 
1 1 1  -43    4   38 o   54.565   8.3972   22.263   6.0066   22.202   8.9814   22.312   8.0794   54.269   12.474   54.861   11.245 -0.5913429 16.79449 
1 1 1  -43    4   39 o   76.113   6.5579   41.602   6.6274   33.508   9.5939   48.989   9.1658   68.537   10.330   83.688   8.0821 -15.15080 13.11578 
1 1 1  -43    4   40 o  150.398   4.9857  157.189   10.156  154.005   14.497  160.258   14.232  148.829   7.1878  151.967   6.9110 -3.137405 9.971299 
1 1 1  -43    4   41 o   65.548   9.3046   31.820   7.6883   29.898   9.5279   35.407   13.017   63.494   11.497   67.603   14.633 -4.108868 18.60921 
1 1 1  -43    4   42 o   77.144   8.6594   45.121   7.9746   41.053   14.254   46.974   9.6211   72.644   14.977   81.645   8.6959 -9.000381 17.31886 
1 1 1  -43    4   43 o   71.688   8.7928   37.401   7.5691   40.324   14.090   36.215   8.9739   71.913   14.946   71.464   9.2664 0.4482498 17.58565 
1 1 1  -43    4   44 o   85.871   6.1170   51.489   7.0585   61.761   10.534   43.119   9.5092   93.700   8.2958   78.041   8.9916 15.65814 12.23394 
1 1 1  -43    4   45 o   97.399   5.7814   66.923   7.5845   64.567   11.235   68.896   10.280   95.596   8.6728   99.202   7.6473 -3.606239 11.56285 
1 1 1  -43    4   46 o   85.532   6.1149   51.569   7.0529   53.303   10.575   50.179   9.4659   86.674   9.0030   84.390   8.2773 2.283943 12.22975 
1 1 1  -43    4   47 o  124.678   5.2870  109.300   8.8902  101.316   12.869  116.587   12.295  120.065   7.9097  129.291   7.0177 -9.226128 10.57408 
1 1 1  -43    4   48 o  110.360   5.5249   85.074   8.2367   92.848   12.242   78.644   11.134  114.914   7.8613  105.806   7.7650 9.107819 11.04972 
1 1 1  -43    4   49 o  153.766   5.0459  165.252   10.497  166.057   15.306  164.538   14.422  153.985   7.3352  153.547   6.9310 0.4379120 10.09179 
1 1 1  -43    4   50 o  105.833   5.6262   78.632   8.0387   82.639   12.001   75.371   10.826  108.147   8.1891  103.520   7.7172 4.626984 11.25241 
1 1 1  -43    4   51 o   93.637   7.4550   65.159   8.6113   59.686   15.349   67.672   10.403   89.281   12.686   97.993   7.8338 -8.712105 14.90994 
1 1 1  -43    4   52 o   70.750   8.9870   36.815   7.6756   41.221   14.296   35.030   9.0983   71.723   15.182   69.778   9.6218 1.944458 17.97401 
1 1 1  -43    4   53 o   65.210   7.8086   31.884   6.6511   28.744   9.8587   34.507   9.0105   61.203   12.313   69.217   9.6063 -8.014221 15.61717 
1 1 1  -43    4   54 o   46.914   10.030   17.704   7.2184   22.456   9.5971   11.514   10.954   53.400   13.310   40.427   15.008 12.97305 20.05985 
1 1 1  -43    4   55 o   99.043   7.0419   72.375   9.1130   76.795   11.715   65.603   14.501  103.928   8.3184   94.158   11.365 9.770462 14.08384 
1 1 1  -43    4   56 o  116.380   6.4515   94.082   9.9369   83.022   12.521  112.896   16.331  107.846   8.5677  124.913   9.6478 -17.06750 12.90295 
1 1 1  -43    4   57 o  118.741   8.0909  100.191   13.019  100.191   13.019   0.0000   0.0000  118.741   8.0909  ?   ?       ?      ? 
1 1 1  -43    4   58 o   99.894   8.7013   71.511   11.779   71.511   11.779   0.0000   0.0000   99.894   8.7013  ?   ?       ?      ? 
1 1 1  -43    4   59 o   99.477   7.7069   77.747   9.5891   93.983   12.473   54.284   14.994  114.939   8.0079   84.014   13.170 30.92503 15.41374 
1 1 1  -43    4   60 o  132.711   6.5707  129.097   11.397  134.460   14.562  120.619   18.310  137.566   7.8116  127.856   10.568 9.709373 13.14149 
1 1 1  -43    4   61 o  108.503   8.5382   90.374   12.298   80.929   18.591   97.721   16.398  102.005   13.450  115.000   10.522 -12.99535 17.07642 
1 1 1  -43    4   62 o  118.923   8.2281  107.243   13.100  102.440   19.759  111.010   17.498  115.452   12.629  122.393   10.550 -6.941154 16.45621 
1 1 1  -43    4   63 o   36.731   10.725   7.0285   8.7908   2.7541   13.462   10.206   11.607   34.681   15.146   38.782   15.189 -4.100540 21.45011 
1 1 1  -43    4   64 o  102.243   8.7319   81.321   11.919   70.908   17.432   90.463   16.334   94.742   13.578  109.744   10.983 -15.00284 17.46379 
1 1 1  -43    4   65 o   92.000   9.1643   66.317   11.345   66.477   17.011   66.189   15.226   91.319   13.747   92.680   12.123 -1.360451 18.32858 
1 1 1  -43    4   66 f   83.173   12.823   54.363   14.453   0.0000   0.0000   54.363   14.453  ?   ?    83.173   12.823      ?      ? 
1 1 1  -43    4   67 o   77.089   14.162   49.139   14.249   0.0000   0.0000   49.139   14.249  ?   ?    77.089   14.162      ?      ? 
1 1 1  -43    4   68 o   63.406   15.375   35.024   13.075   0.0000   0.0000   35.024   13.075  ?   ?    63.406   15.375      ?      ? 
1 1 1  -43    4   69 o   84.423   13.282   57.751   15.195   0.0000   0.0000   57.751   15.195  ?   ?    84.423   13.282      ?      ? 
1 1 1  -43    4   70 o   58.061   17.580   32.650   15.020   0.0000   0.0000   32.650   15.020  ?   ?    58.061   17.580      ?      ? 
1 1 1  -43    5    1 o   71.962   5.8617   35.972   5.6300   39.220   8.9001   33.806   7.2693   74.455   8.8210   69.469   7.7218 4.985397 11.72332 
1 1 1  -43    5    2 o  145.425   4.6547  145.271   9.0971  157.985   13.985  135.945   11.978  150.746   6.8458  140.104   6.3088 10.64160 9.309421 
1 1 1  -43    5    3 o  122.290   5.7480  104.042   9.3353  100.401   11.975  109.681   14.904  119.968   7.3661  124.612   8.8261 -4.644814 11.49605 
1 1 1  -43    5    4 o  135.907   5.6691  129.584   10.197  130.119   13.116  128.767   16.212  136.760   7.0769  135.054   8.8583 1.706284 11.33811 
1 1 1  -43    5    5 o  113.642   4.9689   88.818   7.5698   96.118   11.760   83.653   9.8917  117.436   7.3894  109.849   6.6449 7.586617 9.937718 
1 1 1  -43    5    6 o   88.874   5.4669   55.204   6.4699   54.930   10.108   55.394   8.4210   88.435   8.4343   89.313   6.9577 -0.8777390 10.93377 
1 1 1  -43    5    7 o  115.703   4.9343   92.307   7.6613   97.371   11.803   88.620   10.071  118.269   7.3647  113.137   6.5688 5.131157 9.868520 
1 1 1  -43    5    8 o   49.434   8.1316   17.799   5.2816   21.410   8.3349   15.377   6.8273   53.469   11.818   45.399   11.173 8.070305 16.26328 
1 1 1  -43    5    9 o   75.286   6.0474   39.122   6.1161   45.174   9.4306   34.729   8.0350   80.190   8.6784   70.382   8.4245 9.807495 12.09488 
1 1 1  -43    5   10 o   38.327   8.6196   10.723   5.0377   9.1066   7.9318   11.816   6.5222   36.697   12.884   39.958   11.454 -3.261650 17.23928 
1 1 1  -43    5   11 o   64.435   6.9931   30.032   5.8606   28.158   8.9457   31.440   7.7570   61.905   11.070   66.966   8.5478 -5.061581 13.98612 
1 1 1  -43    5   12 o  127.176   4.9875  113.371   8.4957   99.128   12.418  125.905   11.649  119.315   7.6800  135.038   6.3655 -15.72295 9.975084 
1 1 1  -43    5   13 o  115.312   5.1557   91.805   8.0052   96.733   12.139   88.013   10.649  117.916   7.5969  112.708   6.9720 5.208130 10.31130 
1 1 1  -43    5   14 o  164.474   4.8339  187.425   10.735  184.725   15.801  189.739   14.629  163.214   7.1442  165.734   6.5136 -2.520752 9.667799 
1 1 1  -43    5   15 o  144.193   4.9599  143.124   9.6526  154.063   14.467  134.348   12.959  149.060   7.1621  139.326   6.8634 9.733887 9.919822 
1 1 1  -43    5   16 o  156.355   4.9102  169.658   10.362  163.954   15.192  174.622   14.170  153.720   7.2927  158.991   6.5769 -5.270798 9.820357 
1 1 1  -43    5   17 o  159.743   5.8256  179.884   12.280  186.559   15.861  169.895   19.401  164.070   7.1340  155.417   9.2119 8.652786 11.65127 
1 1 1  -43    5   18 o  219.200   5.8272  337.065   16.808  342.702   21.480  328.164   26.991  222.388   7.1277  216.012   9.2206 6.375900 11.65436 
1 1 1  -43    5   19 o  142.763   5.5471  147.673   9.4805  155.361   11.247  128.798   17.623  150.409   5.5178  135.117   9.6248 15.29208 11.09424 
1 1 1  -43    5   20 o   72.202   6.5733   34.036   5.9443   30.211   7.0083   43.842   11.222   65.879   7.8502   78.525   10.545 -12.64619 13.14654 
1 1 1  -43    5   21 o  116.534   5.5797   94.866   7.9860   95.325   9.4970   93.759   14.756  117.690   5.9548  115.378   9.4378 2.312210 11.15931 
1 1 1  -43    5   22 o  111.780   6.6345   88.200   10.019   93.878   13.989   82.218   14.356  115.685   8.9230  107.875   9.8208 7.810211 13.26905 
1 1 1  -43    5   23 o   66.743   8.1955   36.889   6.2442   43.172   7.5134   22.861   11.227   78.963   7.0215   54.523   14.811 24.43976 16.39102 
1 1 1  -43    5   24 o  159.888   5.6976  175.715   12.345  175.715   12.345   0.0000   0.0000  159.888   5.6976  ?   ?       ?      ? 
1 1 1  -43    5   25 f  212.792   5.6950  311.250   16.422  311.250   16.422   0.0000   0.0000  212.792   5.6950  ?   ?       ?      ? 
1 1 1  -43    5   26 o  164.589   5.8261  195.102   12.316  211.519   15.581  167.765   20.106  174.997   6.5703  154.181   9.6231 20.81650 11.65219 
1 1 1  -43    5   27 o  152.169   5.7894  163.784   11.388  169.406   14.283  153.972   18.868  156.525   6.7335  147.812   9.4196 8.713211 11.57883 
1 1 1  -43    5   28 o  144.777   5.8002  147.937   10.907  152.318   13.739  140.472   17.935  148.365   6.8336  141.189   9.3738 7.176117 11.60034 
1 1 1  -43    5   29 o  164.458   5.4345  188.250   10.961  188.305   13.007  188.115   20.361  165.433   5.8019  163.482   9.1909 1.951370 10.86893 
1 1 1  -43    5   30 o  112.318   6.0472   90.592   8.2762   93.824   9.8794   82.985   15.155  116.622   6.2513  108.015   10.354 8.606750 12.09438 
1 1 1  -43    5   31 o  120.157   5.6241   94.945   8.3596   87.303   9.8076  115.247   15.985  112.423   6.4376  127.890   9.2237 -15.46652 11.24811 
1 1 1  -43    5   32 o   56.585   8.6335   20.223   6.0715   13.837   7.1563   36.629   11.470   43.055   11.879   70.115   12.532 -27.05976 17.26698 
1 1 1  -43    5   33 o   61.404   8.4487   27.503   6.3371   27.123   7.5732   28.389   11.574   62.069   9.0037   60.738   14.299 1.331093 16.89730 
1 1 1  -43    5   34 o   83.923   6.7397   48.597   7.0335   46.758   8.3589   53.056   13.017   81.944   7.5275   85.902   11.182 -3.958481 13.47946 
1 1 1  -43    5   35 o   68.037   6.9921   32.916   6.2120   41.034   9.2428   26.228   8.3893   76.321   8.9367   59.754   10.756 16.56720 13.98413 
1 1 1  -43    5   36 o  115.840   6.5198   94.163   9.4645   96.593   17.024   93.075   11.386  116.009   10.829  115.671   7.2641 0.3379211 13.03959 
1 1 1  -43    5   37 o   93.426   6.0105   62.610   7.4316   50.163   10.876   73.513   10.179   84.095   9.5433  102.758   7.3096 -18.66330 12.02104 
1 1 1  -43    5   38 o  107.697   6.5115   79.574   8.9679   89.804   15.874   74.779   10.868  111.957   10.463  103.437   7.7536 8.519989 13.02291 
1 1 1  -43    5   39 f  130.103   6.3027  119.455   10.241  119.766   18.423  119.315   12.320  129.182   10.524  131.025   6.9387 -1.843170 12.60540 
1 1 1  -43    5   40 o  130.389   5.0943  118.071   8.9745  123.264   13.316  113.750   12.148  132.912   7.3932  127.866   7.0107 5.045677 10.18870 
1 1 1  -43    5   41 o  145.074   5.0319  147.169   9.8465  139.093   14.368  154.320   13.521  141.077   7.5155  149.070   6.6931 -7.992386 10.06381 
1 1 1  -43    5   42 o   75.038   8.2285   38.003   7.8050   26.480   9.6478   59.829   13.278   59.056   12.448   91.020   10.765 -31.96460 16.45697 
1 1 1  -43    5   43 o   55.211   9.7134   24.408   7.2133   27.265   9.1962   19.840   11.629   60.266   11.682   50.156   15.522 10.10994 19.42689 
1 1 1  -43    5   44 o  128.316   5.2103  115.007   9.0351  117.028   13.324  113.286   12.294  129.226   7.6083  127.406   7.1205 1.820282 10.42052 
1 1 1  -43    5   45 f  160.110   5.0127  178.270   10.851  189.337   16.030  168.910   14.742  164.614   7.1858  155.606   6.9910 9.007446 10.02546 
1 1 1  -43    5   46 o  117.035   5.4423   95.532   8.5975  104.028   12.873   88.692   11.551  121.638   7.8098  112.432   7.5815 9.205940 10.88453 
1 1 1  -43    5   47 o   43.452   8.9928   13.261   5.8884   21.835   9.1631   7.2288   7.6853   53.110   12.867   33.795   12.566 19.31501 17.98554 
1 1 1  -43    5   48 o   67.372   7.6963   34.454   6.6112   27.764   10.015   39.621   8.8015   60.071   12.700   74.673   8.6979 -14.60158 15.39268 
1 1 1  -43    5   49 o  141.866   5.1846  141.985   9.9031  130.573   14.427  152.154   13.618  136.110   7.8217  147.622   6.8075 -11.51186 10.36927 
1 1 1  -43    5   50 o  177.706   5.0040  220.829   12.021  225.724   17.709  216.647   16.369  179.356   7.2860  176.056   6.8612 3.300522 10.00806 
1 1 1  -43    5   51 o  113.942   6.8522   97.359   10.058  112.201   13.132   76.294   15.645  126.160   7.6812  101.723   11.349 24.43753 13.70441 
1 1 1  -43    5   52 o   55.997   11.083   25.453   8.6775   28.559   13.277   23.137   11.465   58.655   16.178   53.339   15.151 5.316387 22.16541 
1 1 1  -43    5   53 o  111.551   7.6801   90.599   11.551   99.708   17.446   83.490   15.412  116.334   11.066  106.769   10.652 9.565475 15.36016 
1 1 1  -43    5   54 o   95.551   7.0277   66.205   8.9110   65.804   11.506   66.806   14.086   95.848   8.8585   95.253   10.912 0.5951233 14.05530 
1 1 1  -43    5   55 o   62.908   9.4459   30.643   7.7109   27.803   10.015   34.776   12.084   59.669   12.771   66.148   13.921 -6.479404 18.89183 
1 1 1  -43    5   56 o   81.117   8.2880   51.104   8.4733   57.584   11.083   41.989   13.145   89.392   9.1492   72.841   13.822 16.55087 16.57607 
1 1 1  -43    5   57 o   59.317   9.7448   28.719   7.6042   31.007   9.7945   25.248   12.065   63.568   11.805   55.067   15.508 8.500908 19.48962 
1 1 1  -43    5   58 o   46.341   13.673   17.215   9.1749   17.215   9.1749   0.0000   0.0000   46.341   13.673  ?   ?       ?      ? 
1 1 1  -43    5   59 o   54.955   11.737   25.894   9.4262   26.271   14.352   25.609   12.501   54.890   17.286   55.019   15.882 -0.1286430 23.47431 
1 1 1  -43    5   60 o   85.851   10.014   59.934   11.010   47.603   16.247   70.405   14.971   74.881   16.460   96.820   11.411 -21.93906 20.02827 
1 1 1  -43    5   61 o   56.359   11.656   27.756   9.5039   25.236   14.345   29.727   12.688   53.489   17.329   59.230   15.593 -5.740986 23.31228 
1 1 1  -43    5   62 o  139.892   7.6973  146.892   14.508  141.980   21.408  151.064   19.730  136.901   11.540  142.883   10.190 -5.982208 15.39468 
1 1 1  -43    5   63 o   97.524   8.8765   74.001   11.597   71.506   17.491   75.959   15.493   94.996   13.587  100.053   11.427 -5.057541 17.75290 
1 1 1  -43    5   64 o   48.752   11.093   20.704   9.2741   8.3920   14.304   29.632   12.181   38.580   16.194   58.924   15.166 -20.34412 22.18642 
1 1 1  -43    5   65 o   49.927   11.483   22.313   9.5030   13.193   14.371   29.401   12.668   41.864   16.739   57.989   15.725 -16.12511 22.96632 
1 1 1  -43    5   66 o   76.417   14.297   48.620   14.261   0.0000   0.0000   48.620   14.261  ?   ?    76.417   14.297      ?      ? 
1 1 1  -43    5   67 f   87.676   13.275   62.000   15.772   0.0000   0.0000   62.000   15.772  ?   ?    87.676   13.275      ?      ? 
1 1 1  -43    5   68 o   74.502   15.719   48.901   15.371   0.0000   0.0000   48.901   15.371  ?   ?    74.502   15.719      ?      ? 
1 1 1  -43    5   69 o  119.929   11.712  113.325   19.034   0.0000   0.0000  113.325   19.034  ?   ?   119.929   11.712      ?      ? 
1 1 1  -43    5   70 f   49.320   17.209   23.797   14.141   0.0000   0.0000   23.797   14.141  ?   ?    49.320   17.209      ?      ? 
1 1 1  -43    6    1 f  129.411   7.2554  117.129   12.724  117.129   12.724   0.0000   0.0000  129.411   7.2554  ?   ?       ?      ? 
1 1 1  -43    6    2 o  124.454   7.2439  108.257   12.217  108.257   12.217   0.0000   0.0000  124.454   7.2439  ?   ?       ?      ? 
1 1 1  -43    6    3 o   88.809   8.2367   55.582   9.9128   55.582   9.9128   0.0000   0.0000   88.809   8.2367  ?   ?       ?      ? 
1 1 1  -43    6    4 o  144.661   4.6747  146.598   9.0271  137.367   13.746  153.598   11.970  140.271   7.2313  149.050   5.9262 -8.778671 9.349480 
1 1 1  -43    6    5 o  116.297   4.9609   95.613   7.6218   86.969   11.861  101.693   9.9476  111.347   7.8605  121.247   6.0543 -9.900421 9.921815 
1 1 1  -43    6    6 f  107.505   5.0511   80.857   7.2292   78.807   11.239   82.305   9.4417  106.040   7.8212  108.970   6.3938 -2.929893 10.10211 
1 1 1  -43    6    7 o   98.372   5.1896   66.378   6.8213   74.296   10.780   61.090   8.8093  103.030   7.7207   93.714   6.9367 9.315521 10.37919 
1 1 1  -43    6    8 o   67.329   7.6448   32.369   6.8952   30.743   9.0066   34.671   10.718   65.549   10.139   69.110   11.444 -3.561188 15.28961 
1 1 1  -43    6    9 o   71.279   7.3357   36.309   7.0303   35.567   9.3414   37.278   10.677   70.668   9.7546   71.891   10.959 -1.222740 14.67150 
1 1 1  -43    6   10 o   25.812   7.7271   0.2270   4.5514   3.8204   7.5680  -1.8091   5.6968   30.101   12.108   21.523   9.6039 8.577942 15.45417 
1 1 1  -43    6   11 o   83.182   5.6498   47.943   6.2822   51.482   9.8535   45.519   8.1546   85.565   8.4979   80.799   7.4476 4.765991 11.29960 
1 1 1  -43    6   12 o  150.695   4.7506  156.070   9.6266  168.398   14.744  146.910   12.710  155.695   6.9880  145.695   6.4374 10.00023 9.501133 
1 1 1  -43    6   13 o  150.876   4.7980  157.239   9.7461  163.312   14.755  152.539   12.981  153.284   7.1035  148.469   6.4518 4.814484 9.596099 
1 1 1  -43    6   14 o   89.309   5.7581   55.230   6.9198   61.230   10.581   50.747   9.1469   93.422   8.3581   85.197   7.9225 8.224258 11.51629 
1 1 1  -43    6   15 o  124.502   5.1193  107.707   8.5733  108.517   12.947  107.075   11.441  124.727   7.6602  124.276   6.7933 0.4505920 10.23856 
1 1 1  -43    6   16 o  203.407   5.7881  288.920   15.593  285.965   20.008  293.490   24.883  202.773   7.2814  204.041   8.9993 -1.267990 11.57610 
1 1 1  -43    6   17 o  151.939   5.7965  166.913   11.307  181.653   14.323  142.531   18.422  162.036   6.5230  141.842   9.5838 20.19354 11.59305 
1 1 1  -43    6   18 o  167.068   6.2308  196.527   14.093  201.465   19.678  191.328   20.192  169.390   8.5725  164.747   9.0445 4.642532 12.46154 
1 1 1  -43    6   19 o  180.789   5.6879  234.232   13.253  250.029   16.740  207.699   21.695  190.133   6.4971  171.445   9.3380 18.68848 11.37590 
1 1 1  -43    6   20 o   48.428   8.7542   9.6903   7.6481   39.228   12.402  -8.4381   9.7157   72.214   13.158   24.641   11.551 47.57291 17.50837 
1 1 1  -43    6   21 o  104.103   5.6752   73.248   7.3493   69.636   8.7099   82.175   13.694  100.374   6.4033  107.831   9.3716 -7.456947 11.35031 
1 1 1  -43    6   22 o   92.595   5.9914   59.860   6.8274   59.478   8.1105   60.791   12.648   92.750   6.4528   92.439   10.097 0.3108826 11.98281 
1 1 1  -43    6   23 o   48.698   8.7758   18.643   5.5709   20.258   6.6305   14.768   10.273   52.771   9.6266   44.624   14.676 8.147366 17.55152 
1 1 1  -43    6   24 f  196.008   5.4510  276.723   12.975  289.455   15.497  246.877   23.727  205.126   5.5751  186.891   9.3686 18.23505 10.90198 
1 1 1  -43    6   25 o  152.616   5.5637  170.645   10.237  182.301   12.258  143.781   18.609  162.792   5.5565  142.440   9.6409 20.35187 11.12749 
1 1 1  -43    6   26 o  154.537   5.7188  164.439   11.976  164.439   11.976   0.0000   0.0000  154.537   5.7188  ?   ?       ?      ? 
1 1 1  -43    6   27 o  198.606   5.6448  271.513   15.192  271.513   15.192   0.0000   0.0000  198.606   5.6448  ?   ?       ?      ? 
1 1 1  -43    6   28 o  112.422   5.8820   90.623   8.0593   93.543   9.6127   83.716   14.786  116.416   6.0933  108.428   10.063 7.987335 11.76402 
1 1 1  -43    6   29 o   79.683   6.6320   44.144   6.6332   42.844   7.9567   47.104   12.011   78.412   7.4880   80.955   10.948 -2.542778 13.26394 
1 1 1  -43    6   30 o  154.325   5.5442  170.180   10.489  175.828   12.559  157.159   19.070  159.719   5.8027  148.932   9.4489 10.78700 11.08836 
1 1 1  -43    6   31 o  139.185   5.5213  135.038   9.5858  134.475   11.504  136.316   17.337  139.548   6.0835  138.822   9.2158 0.7265930 11.04261 
1 1 1  -43    6   32 o   81.180   7.4952   48.440   7.9989   54.765   10.640   40.218   12.131   88.090   8.9130   74.271   12.053 13.81882 14.99040 
1 1 1  -43    6   33 o   35.461   9.5741   7.0671   6.3845   5.0931   8.4885   9.6384   9.6880   32.531   12.911   38.391   14.141 -5.859539 19.14812 
1 1 1  -43    6   34 o   56.668   9.4384   25.294   7.1678   29.535   9.5228   19.750   10.887   62.987   11.583   50.348   14.905 12.63895 18.87672 
1 1 1  -43    6   35 o   74.465   6.9764   35.903   6.6467   29.036   7.9532   51.808   12.103   64.012   9.1686   84.919   10.518 -20.90736 13.95283 
1 1 1  -43    6   36 o   83.979   6.8700   50.245   7.2020   50.210   8.6669   50.324   12.946   84.758   7.5457   83.199   11.483 1.559410 13.73993 
1 1 1  -43    6   37 o  119.264   6.5425  100.531   9.6473  102.153   17.705   99.845   11.505  118.816   10.996  119.711   7.0921 -0.8953094 13.08497 
1 1 1  -43    6   38 o  119.772   5.2653  100.837   8.4923   92.757   12.364  108.054   11.685  114.953   7.9371  124.590   6.9207 -9.636963 10.53056 
1 1 1  -43    6   39 o  136.130   5.0299  128.447   9.2471  139.384   13.791  119.511   12.465  141.314   7.2013  130.946   7.0243 10.36826 10.05984 
1 1 1  -43    6   40 o   62.931   7.4543   28.831   6.1701   29.755   9.3673   28.123   8.2002   63.138   11.366   62.723   9.6475 0.4149780 14.90854 
1 1 1  -43    6   41 o  127.082   5.1677  112.863   8.8624  113.805   13.165  112.081   11.985  127.392   7.6257  126.773   6.9764 0.6188431 10.33547 
1 1 1  -43    6   42 o  129.968   5.2005  116.843   9.1028  131.915   13.831  105.325   12.091  137.227   7.4374  122.708   7.2710 14.51924 10.40108 
1 1 1  -43    6   43 f  104.399   6.8322   77.650   9.3497   76.185   11.784   80.138   15.360  103.792   8.3783  105.007   10.794 -1.215881 13.66441 
1 1 1  -43    6   44 o   85.104   7.3924   51.306   8.2926   47.649   10.431   57.588   13.671   81.587   9.4344   88.620   11.384 -7.032677 14.78487 
1 1 1  -43    6   45 o   83.633   6.2647   50.065   7.0216   47.640   10.576   51.976   9.3893   81.471   9.5796   85.795   8.0758 -4.324158 12.52948 
1 1 1  -43    6   46 o   91.414   5.9963   58.055   7.3422   71.663   11.291   48.086   9.6644  100.596   8.2829   82.232   8.6727 18.36392 11.99257 
1 1 1  -43    6   47 o   62.308   8.1173   30.112   6.4841   23.234   9.9034   35.272   8.5786   54.352   13.505   70.265   9.0093 -15.91383 16.23466 
1 1 1  -43    6   48 o   55.912   9.7985   24.680   7.3095   24.287   9.5383   25.239   11.378   55.862   12.866   55.962   14.782 -0.1003075 19.59695 
1 1 1  -43    6   49 o   88.556   7.2719   56.431   8.6049   53.499   11.163   60.725   13.508   86.163   9.5605   90.948   10.960 -4.785263 14.54376 
1 1 1  -43    6   50 o   99.260   6.9139   70.946   9.1331   69.512   11.817   73.073   14.394   98.593   8.8443   99.927   10.629 -1.334503 13.82772 
1 1 1  -43    6   51 o  140.097   6.2058  139.864   11.509  137.960   14.757  142.822   18.391  139.661   7.7970  140.533   9.6568 -0.8717651 12.41159 
1 1 1  -43    6   52 o  109.223   6.6004   84.143   9.5843   76.878   12.225   95.730   15.440  103.670   8.7018  114.776   9.9266 -11.10623 13.20070 
1 1 1  -43    6   53 o  126.338   7.5066  116.490   12.804  127.131   19.133  107.859   17.232  131.408   10.745  121.269   10.486 10.13913 15.01327 
1 1 1  -43    6   54 o   85.404   7.3620   52.184   8.3409   47.320   10.584   60.153   13.548   80.731   9.6748   90.077   11.099 -9.345306 14.72392 
1 1 1  -43    6   55 o   88.250   7.2437   55.966   8.4555   52.115   10.707   62.346   13.783   84.879   9.3087   91.621   11.101 -6.742096 14.48732 
1 1 1  -43    6   56 o  126.165   7.9125  120.770   13.177   96.450   19.228  142.309   18.095  112.391   12.624  139.940   9.5420 -27.54880 15.82493 
1 1 1  -43    6   57 o  147.984   7.4394  162.243   14.815  156.592   21.992  166.939   20.047  144.791   11.208  151.177   9.7854 -6.385712 14.87871 
1 1 1  -43    6   58 o   56.010   17.226   27.550   14.347   27.550   14.347   0.0000   0.0000   56.010   17.226  ?   ?       ?      ? 
1 1 1  -43    6   59 o   38.971   15.795   9.4082   12.985   9.4082   12.985   0.0000   0.0000   38.971   15.795  ?   ?       ?      ? 
1 1 1  -43    6   60 o   78.534   10.521   53.395   10.708   29.812   15.553   74.652   14.766   57.246   17.990   99.822   10.916 -42.57605 21.04226 
1 1 1  -43    6   61 o  122.262   7.9556  112.169   13.129  124.061   19.628  102.541   17.662  128.008   11.315  116.516   11.186 11.49165 15.91114 
1 1 1  -43    6   62 o  102.852   8.6324   81.909   11.959   80.677   17.763   82.930   16.174  101.366   12.931  104.338   11.439 -2.971382 17.26485 
1 1 1  -43    6   63 o   52.696   11.842   24.140   9.5460   32.057   14.721   18.396   12.540   59.210   17.276   46.183   16.201 13.02630 23.68431 
1 1 1  -43    6   64 o   30.943   9.7098  -1.3242   8.3206   6.8762   12.366  -8.1076   11.247   35.904   15.063   25.983   12.257 9.921461 19.41953 
1 1 1  -43    6   65 o   48.598   11.654   20.924   9.3217   27.280   13.651   15.372   12.759   54.368   16.817   42.827   16.139 11.54096 23.30813 
1 1 1  -43    6   66 o   46.671   16.839   19.878   13.636   0.0000   0.0000   19.878   13.636  ?   ?    46.671   16.839      ?      ? 
1 1 1  -43    6   67 o   59.160   17.530   33.808   15.054   0.0000   0.0000   33.808   15.054  ?   ?    59.160   17.530      ?      ? 
1 1 1  -43    6   68 o   85.046   13.822   60.514   15.930   0.0000   0.0000   60.514   15.930  ?   ?    85.046   13.822      ?      ? 
1 1 1  -43    6   69 o   48.213   17.209   22.964   14.204   0.0000   0.0000   22.964   14.204  ?   ?    48.213   17.209      ?      ? 
1 1 1  -43    6   70 o   59.644   17.507   35.903   15.077   0.0000   0.0000   35.903   15.077  ?   ?    59.644   17.507      ?      ? 
1 1 1  -43    6   71 o   79.009   15.763   57.876   16.286   0.0000   0.0000   57.876   16.286  ?   ?    79.009   15.763      ?      ? 
1 1 1  -43    7    1 o   82.743   12.348   51.057   13.846   51.057   13.846   0.0000   0.0000   82.743   12.348  ?   ?       ?      ? 
1 1 1  -43    7    2 o  103.316   11.191   78.211   15.668   78.211   15.668   0.0000   0.0000  103.316   11.191  ?   ?       ?      ? 
1 1 1  -43    7    3 o  122.317   10.762  108.892   17.839  108.892   17.839   0.0000   0.0000  122.317   10.762  ?   ?       ?      ? 
1 1 1  -43    7    4 o  134.610   10.340  131.060   18.861  131.060   18.861   0.0000   0.0000  134.610   10.340  ?   ?       ?      ? 
1 1 1  -43    7    5 o  107.584   7.8503   81.433   11.445   81.433   11.445   0.0000   0.0000  107.584   7.8503  ?   ?       ?      ? 
1 1 1  -43    7    6 o  121.421   7.6008  103.438   12.506  103.438   12.506   0.0000   0.0000  121.421   7.6008  ?   ?       ?      ? 
1 1 1  -43    7    7 o  110.366   7.8530   85.616   11.745   85.616   11.745   0.0000   0.0000  110.366   7.8530  ?   ?       ?      ? 
1 1 1  -43    7    8 o  115.437   7.7015   93.495   12.048   93.495   12.048   0.0000   0.0000  115.437   7.7015  ?   ?       ?      ? 
1 1 1  -43    7    9 o  162.545   4.6881  182.371   10.205  192.026   15.846  175.528   13.340  165.928   7.0472  159.162   6.1847 6.765106 9.376245 
1 1 1  -43    7   10 o  141.722   4.8286  141.051   9.1358  131.287   13.872  148.530   12.141  136.980   7.4730  146.464   6.1168 -9.484421 9.657143 
1 1 1  -43    7   11 o  110.797   6.3031   87.108   9.2010   87.503   11.752   86.481   14.790  111.710   7.7632  109.883   9.9322 1.826981 12.60619 
1 1 1  -43    7   12 o  114.229   6.2386   91.112   9.4134   86.972   11.933   97.934   15.317  111.318   7.9103  117.140   9.6493 -5.821976 12.47719 
1 1 1  -43    7   13 o  118.469   6.5718   97.428   10.551   0.0000   0.0000   97.428   10.551  ?   ?   118.469   6.5718      ?      ? 
1 1 1  -43    7   14 o   66.804   8.3630   31.429   7.5710   0.0000   0.0000   31.429   7.5710  ?   ?    66.804   8.3630      ?      ? 
1 1 1  -43    7   15 o   87.771   6.6985   55.304   7.8816   59.889   10.727   49.924   11.619   92.133   8.5917   83.410   10.279 8.723885 13.39709 
1 1 1  -43    7   16 o   93.466   5.7080   61.216   6.5859   61.053   7.8486   61.602   12.108   93.938   6.1655   92.995   9.6078 0.9426498 11.41591 
1 1 1  -43    7   17 f   84.061   5.8349   46.972   6.1236   43.074   7.2330   56.834   11.506   78.738   6.7788   89.384   9.4991 -10.64595 11.66983 
1 1 1  -43    7   18 o  142.839   5.1961  142.393   9.1207  142.473   10.840  142.198   16.878  143.788   5.5630  141.890   8.7777 1.898438 10.39212 
1 1 1  -43    7   19 o  163.899   5.2194  187.823   10.485  188.371   12.446  186.486   19.457  165.343   5.5548  162.455   8.8382 2.887268 10.43885 
1 1 1  -43    7   20 o   94.798   5.8665   61.507   6.8648   59.189   8.1122   67.352   12.884   92.408   6.4781   97.188   9.7825 -4.779305 11.73302 
1 1 1  -43    7   21 o  105.781   5.9560   82.553   7.5787   88.051   9.0643   69.783   13.815  112.918   5.9237   98.644   10.335 14.27392 11.91199 
1 1 1  -43    7   22 o  118.553   6.0772   98.623   9.6231   96.420   12.536  101.782   15.014  117.312   7.8859  119.793   9.2490 -2.480515 12.15444 
1 1 1  -43    7   23 o   85.282   6.5942   54.267   6.7335   58.072   8.0468   45.380   12.298   91.530   6.4875   79.035   11.482 12.49462 13.18834 
1 1 1  -43    7   24 o  167.173   5.3143  195.882   10.927  196.868   13.011  193.523   20.130  168.965   5.6825  165.380   8.9819 3.584824 10.62852 
1 1 1  -43    7   25 o  128.557   6.0692  120.346   10.119  134.227   13.102   99.828   15.929  138.908   6.9605  118.206   9.9444 20.70213 12.13833 
1 1 1  -43    7   26 o   90.292   6.6759   58.701   7.9236   61.516   10.218   54.455   12.550   93.620   8.0538   86.964   10.649 6.656029 13.35179 
1 1 1  -43    7   27 o   86.946   6.9292   55.203   7.8786   60.150   10.230   47.990   12.352   92.524   8.1587   81.369   11.202 11.15476 13.85846 
1 1 1  -43    7   28 o   96.102   6.8759   64.232   8.9546   64.232   8.9546   0.0000   0.0000   96.102   6.8759  ?   ?       ?      ? 
1 1 1  -43    7   29 o   58.999   9.1656   24.701   7.3280   24.701   7.3280   0.0000   0.0000   58.999   9.1656  ?   ?       ?      ? 
1 1 1  -43    7   30 o  131.831   5.6215  125.568   9.1416  131.509   11.043  112.631   16.296  137.956   5.9069  125.705   9.5662 12.25102 11.24293 
1 1 1  -43    7   31 o  102.288   5.9134   72.174   7.6588   69.437   9.2358   78.201   13.704   99.909   6.8217  104.668   9.6613 -4.759659 11.82690 
1 1 1  -43    7   32 o  111.563   5.8234   86.678   8.2234   84.950   9.9550   90.388   14.591  110.568   6.6440  112.557   9.5659 -1.989571 11.64686 
1 1 1  -43    7   33 o  134.327   5.7902  130.960   9.6418  137.836   11.710  116.488   16.990  141.089   6.1247  127.565   9.8281 13.52393 11.58036 
1 1 1  -43    7   34 o  145.885   5.5629  151.021   10.116  153.646   12.208  145.269   18.071  148.984   6.0468  142.786   9.3393 6.197235 11.12590 
1 1 1  -43    7   35 o  117.926   5.7759   96.936   8.6067   95.081   10.406  100.954   15.314  116.960   6.5652  118.891   9.5050 -1.930672 11.55186 
1 1 1  -43    7   36 o  109.863   5.9282   82.927   8.3462   78.318   10.145   92.579   14.681  105.919   7.0681  113.806   9.5192 -7.887085 11.85638 
1 1 1  -43    7   37 o  124.785   5.8026  111.832   9.0767  115.494   11.055  104.257   15.901  128.983   6.3246  120.587   9.7304 8.395767 11.60527 
1 1 1  -43    7   38 o  102.970   6.7352   75.944   9.3212   76.283   12.448   75.511   14.064  103.599   8.8668  102.341   10.141 1.258392 13.47040 
1 1 1  -43    7   39 o  134.725   5.7263  129.891   9.6846  133.277   11.786  122.852   16.993  138.536   6.2781  130.914   9.5784 7.622192 11.45250 
1 1 1  -43    7   40 o  129.749   5.1291  117.877   8.9791  118.288   13.336  117.536   12.144  129.759   7.5840  129.740   6.9074 0.1939392E-01 10.25815 
1 1 1  -43    7   41 o  106.685   5.4779   78.584   7.8395   95.274   12.033   66.274   10.334  116.399   7.6284   96.970   7.8637 19.42889 10.95584 
1 1 1  -43    7   42 o   81.515   6.6726   49.820   6.9880   36.248   10.579   60.325   9.3075   70.338   11.099   92.692   7.4098 -22.35397 13.34511 
1 1 1  -43    7   43 o  132.422   5.2080  123.623   9.2803  118.238   13.771  128.104   12.561  129.454   7.8499  135.391   6.8462 -5.936661 10.41593 
1 1 1  -43    7   44 o  122.370   7.9341  105.811   13.157  105.811   13.157   0.0000   0.0000  122.370   7.9341  ?   ?       ?      ? 
1 1 1  -43    7   45 o  115.030   6.5219   94.597   9.8839   93.514   12.578   96.346   15.981  114.916   8.0768  115.143   10.242 -0.2262115 13.04380 
1 1 1  -43    7   46 o  127.291   6.2019  113.132   10.408  105.067   13.092  126.984   17.157  121.862   7.9278  132.719   9.5397 -10.85699 12.40387 
1 1 1  -43    7   47 o   65.978   9.0798   34.227   7.7126   37.251   9.9504   29.676   12.207   71.502   10.269   60.454   14.977 11.04781 18.15955 
1 1 1  -43    7   48 o  132.257   6.1651  125.177   10.746  125.616   13.734  124.483   17.256  133.390   7.5980  131.125   9.7111 2.264709 12.33024 
1 1 1  -43    7   49 f  141.179   6.1279  142.204   11.438  141.004   14.650  144.079   18.305  141.234   7.6547  141.125   9.5714 0.1083984 12.25581 
1 1 1  -43    7   50 o  145.344   6.2160  153.211   11.863  159.757   15.255  143.194   18.870  150.417   7.4838  140.270   9.9272 10.14667 12.43202 
1 1 1  -43    7   51 o   46.235   9.7734   15.405   6.9438   7.8905   9.0014   26.448   10.912   35.225   13.488   57.245   14.148 -22.02027 19.54672 
1 1 1  -43    7   52 o   97.428   6.9470   68.397   9.0337   64.917   11.689   73.558   14.235   94.874   9.0918   99.982   10.506 -5.107697 13.89399 
1 1 1  -43    7   53 o  126.805   9.9955  117.588   17.176   0.0000   0.0000  117.588   17.176  ?   ?   126.805   9.9955      ?      ? 
1 1 1  -43    7   54 o   83.578   11.995   52.852   13.586   0.0000   0.0000   52.852   13.586  ?   ?    83.578   11.995      ?      ? 
1 1 1  -43    7   55 o   32.439   9.9267   2.3191   7.9338   1.8333   12.374   2.6581   10.338   33.225   14.516   31.654   13.545 1.571184 19.85346 
1 1 1  -43    7   56 o   61.337   11.042   31.674   9.1277   32.604   14.035   30.993   12.016   61.410   16.509   61.264   14.668 0.1461258 22.08359 
1 1 1  -43    7   57 o   77.130   10.094   47.745   10.100   53.259   15.369   43.553   13.400   80.830   14.567   73.430   13.977 7.400887 20.18734 
1 1 1  -43    7   58 o   53.284   11.097   24.651   9.2092   14.054   13.448   34.009   12.637   42.766   16.459   63.801   14.888 -21.03578 22.19374 
1 1 1  -43    7   59 o   61.165   16.855   33.258   14.418   33.258   14.418   0.0000   0.0000   61.165   16.855  ?   ?       ?      ? 
1 1 1  -43    7   60 o   71.952   10.867   42.710   10.515   57.636   15.990   31.341   13.956   84.648   13.940   59.255   16.676 25.39305 21.73498 
1 1 1  -43    7   61 o   60.298   11.775   32.449   9.9010   35.145   14.809   30.270   13.314   62.236   17.054   58.360   16.240 3.876511 23.54961 
1 1 1  -43    7   62 o   63.590   10.917   35.997   10.299   19.408   14.732   51.853   14.403   46.681   17.390   80.500   13.203 -33.81905 21.83461 
1 1 1  -43    7   63 o   56.296   10.954   27.162   9.9150   10.001   13.576   46.782   14.516   38.663   15.965   73.929   15.002 -35.26587 21.90714 
1 1 1  -43    7   64 o   38.020   11.037   9.7641   9.1562   12.168   12.911   7.3319   12.987   39.820   15.885   36.221   15.328 3.599270 22.07441 
1 1 1  -43    7   65 o   55.491   11.313   28.424   9.9255   42.298   14.051   14.604   14.023   69.188   15.384   41.793   16.591 27.39502 22.62620 
1 1 1  -43    7   66 o   45.155   11.481   17.671   9.2499   10.318   12.383   26.952   13.913   37.642   15.361   52.668   17.066 -15.02599 22.96111 
1 1 1  -43    7   67 o   25.861   12.441 -11.6752   12.818   0.0000   0.0000 -11.6752   12.818  ?   ?    25.861   12.441      ?      ? 
1 1 1  -43    7   68 o   75.965   16.205   53.734   16.173   0.0000   0.0000   53.734   16.173  ?   ?    75.965   16.205      ?      ? 
1 1 1  -43    7   69 o   74.057   16.416   52.241   16.042   0.0000   0.0000   52.241   16.042  ?   ?    74.057   16.416      ?      ? 
1 1 1  -43    7   70 o   33.041   14.750   4.2663   13.455   0.0000   0.0000   4.2663   13.455  ?   ?    33.041   14.750      ?      ? 
1 1 1  -43    7   71 o   42.052   16.307   17.813   13.279   0.0000   0.0000   17.813   13.279  ?   ?    42.052   16.307      ?      ? 
1 1 1  -43    8    1 o   67.870   9.8078   33.346   9.0205   33.346   9.0205   0.0000   0.0000   67.870   9.8078  ?   ?       ?      ? 
1 1 1  -43    8    2 o  142.248   7.2712  142.191   14.016  142.191   14.016   0.0000   0.0000  142.248   7.2712  ?   ?       ?      ? 
1 1 1  -43    8    3 f   83.551   8.9459   49.922   10.129   49.922   10.129   0.0000   0.0000   83.551   8.9459  ?   ?       ?      ? 
1 1 1  -43    8    4 o   93.592   8.1535   62.052   10.341   62.052   10.341   0.0000   0.0000   93.592   8.1535  ?   ?       ?      ? 
1 1 1  -43    8    5 o   47.089   12.895   17.286   8.4702   17.286   8.4702   0.0000   0.0000   47.089   12.895  ?   ?       ?      ? 
1 1 1  -43    8    6 o   99.796   8.1105   70.450   10.968   70.450   10.968   0.0000   0.0000   99.796   8.1105  ?   ?       ?      ? 
1 1 1  -43    8    7 o   71.867   10.021   37.321   9.7598   37.321   9.7598   0.0000   0.0000   71.867   10.021  ?   ?       ?      ? 
1 1 1  -43    8    8 o   67.413   10.476   33.005   9.5705   33.005   9.5705   0.0000   0.0000   67.413   10.476  ?   ?       ?      ? 
1 1 1  -43    8   11 o  159.490   10.787  185.122   23.314  185.122   23.314   0.0000   0.0000  159.490   10.787  ?   ?       ?      ? 
1 1 1  -43    8   12 o  176.094   10.566  224.926   25.214  224.926   25.214   0.0000   0.0000  176.094   10.566  ?   ?       ?      ? 
1 1 1  -43    8   13 o  129.221   11.018  121.754   19.293  121.754   19.293   0.0000   0.0000  129.221   11.018  ?   ?       ?      ? 
1 1 1  -43    8   14 o  119.490   7.6272  103.718   12.312  104.209   18.133  103.299   16.771  119.434   11.204  119.546   10.353 -0.1124344 15.25447 
1 1 1  -43    8   15 o   65.824   8.6344   30.713   7.7019   30.713   7.7019   0.0000   0.0000   65.824   8.6344  ?   ?       ?      ? 
1 1 1  -43    8   16 o   77.232   6.4724   43.027   6.4400   44.387   8.0509   40.610   10.731   79.583   7.4652   74.881   10.575 4.702705 12.94474 
1 1 1  -43    8   17 o   76.232   6.4972   40.474   6.4988   37.814   8.1201   45.214   10.840   73.216   8.1842   79.249   10.093 -6.033737 12.99448 
1 1 1  -43    8   18 o   92.825   5.8030   60.610   6.7207   60.343   8.0713   61.216   12.136   93.214   6.3896   92.436   9.6887 0.7785568 11.60596 
1 1 1  -43    8   19 o  164.285   5.1656  189.665   10.445  190.935   12.449  186.645   19.196  166.327   5.5232  162.243   8.7309 4.084427 10.33124 
1 1 1  -43    8   20 o  145.597   5.3581  153.418   9.5880  161.121   11.562  136.457   17.157  152.762   5.5851  138.432   9.1456 14.32954 10.71616 
1 1 1  -43    8   21 o   73.826   6.5901   40.100   5.9914   42.179   7.2483   35.615   10.646   77.789   6.8760   69.863   11.244 7.925377 13.18012 
1 1 1  -43    8   22 o   62.715   7.3125   28.078   5.6228   26.947   6.7600   30.619   10.129   61.852   8.0652   63.579   12.200 -1.727341 14.62496 
1 1 1  -43    8   23 o  154.782   5.7440  167.195   11.910  158.450   15.546  179.620   18.531  150.279   7.6337  159.284   8.5849 -9.004272 11.48799 
1 1 1  -43    8   24 o  164.044   5.7875  189.435   12.706  187.554   16.685  192.031   19.603  163.573   7.5273  164.514   8.7931 -0.9418335 11.57490 
1 1 1  -43    8   25 o   90.505   6.1933   58.193   7.0251   58.372   8.4866   57.805   12.521   91.515   6.8432   89.494   10.325 2.020996 12.38650 
1 1 1  -43    8   26 o   70.349   7.7365   38.721   6.3898   42.685   7.7715   30.451   11.226   78.089   7.3440   62.609   13.619 15.48046 15.47294 
1 1 1  -43    8   27 o   72.003   7.6521   40.796   6.4908   46.003   7.9879   30.676   11.136   81.089   7.2693   62.918   13.468 18.17030 15.30417 
1 1 1  -43    8   28 o   78.720   6.5989   43.375   6.6187   41.711   8.0323   46.895   11.682   77.060   7.6918   80.379   10.725 -3.318504 13.19781 
1 1 1  -43    8   29 o  111.589   6.4438   86.554   9.7441   86.554   9.7441   0.0000   0.0000  111.589   6.4438  ?   ?       ?      ? 
1 1 1  -43    8   30 f  112.492   6.4940   88.011   9.8996   88.011   9.8996   0.0000   0.0000  112.492   6.4940  ?   ?       ?      ? 
1 1 1  -43    8   31 o  179.272   5.3578  224.693   11.957  223.219   14.324  228.079   21.718  179.550   5.8869  178.993   8.9537 0.5568695 10.71557 
1 1 1  -43    8   32 o  141.634   5.5663  142.667   9.8151  145.010   11.833  137.500   17.573  144.624   6.0376  138.645   9.3531 5.979294 11.13253 
1 1 1  -43    8   33 o  112.405   6.0398   93.579   8.3856  100.899   10.248   78.745   14.588  120.516   6.2748  104.295   10.322 16.22117 12.07961 
1 1 1  -43    8   34 f   48.753   8.5531   19.580   5.9133   24.409   7.3185   10.499   10.037   58.424   9.2438   39.083   14.394 19.34115 17.10618 
1 1 1  -43    8   35 f   79.422   6.6441   41.903   6.8744   33.192   8.4356   59.127   11.861   68.154   9.1336   90.690   9.6515 -22.53630 13.28813 
1 1 1  -43    8   36 o   83.944   6.7355   50.719   7.2164   50.979   8.8713   50.211   12.407   85.089   7.6936   82.798   11.058 2.290550 13.47100 
1 1 1  -43    8   37 o   99.639   6.2960   71.003   7.9684   71.372   9.7473   70.259   13.835  100.933   7.1264   98.345   10.381 2.587341 12.59208 
1 1 1  -43    8   38 o   66.344   8.3855   34.427   6.8217   37.312   8.4335   28.968   11.602   72.419   8.5935   60.269   14.402 12.15036 16.77094 
1 1 1  -43    8   39 o   88.397   8.4847   57.790   10.005   60.360   15.684   56.027   12.993   89.392   12.947   87.403   10.969 1.989578 16.96935 
1 1 1  -43    8   40 o   93.158   6.8069   62.488   8.4350   62.112   10.940   63.040   13.246   93.355   8.6477   92.961   10.515 0.3943558 13.61386 
1 1 1  -43    8   41 o  138.914   6.0735  138.602   11.058  142.254   14.104  132.776   17.815  142.247   7.3167  135.581   9.6963 6.665039 12.14708 
1 1 1  -43    8   42 o   68.114   8.4001   33.542   7.4253   25.101   9.5510   46.439   11.806   56.768   12.730   79.460   10.964 -22.69183 16.80026 
1 1 1  -43    8   43 o   52.071   9.7335   22.085   7.0499   25.267   9.2628   17.704   10.869   57.144   12.324   46.998   15.069 10.14556 19.46693 
1 1 1  -43    8   44 o   60.907   11.703   28.328   9.3088   28.328   9.3088   0.0000   0.0000   60.907   11.703  ?   ?       ?      ? 
1 1 1  -43    8   45 o   59.975   11.806   27.572   9.2537   27.572   9.2537   0.0000   0.0000   59.975   11.806  ?   ?       ?      ? 
1 1 1  -43    8   46 o   57.473   9.4104   24.520   7.0943   18.194   8.9275   35.360   11.686   47.872   13.290   67.075   13.326 -19.20312 18.82085 
1 1 1  -43    8   47 o   53.304   9.8719   21.759   7.2522   15.661   9.3503   30.966   11.489   44.428   13.946   62.180   13.975 -17.75134 19.74373 
1 1 1  -43    8   48 o   61.575   9.3797   29.410   7.4749   26.844   9.6079   33.346   11.898   58.648   12.473   64.501   14.012 -5.852798 18.75934 
1 1 1  -43    8   49 o   69.064   10.392   37.682   9.3345   46.611   14.661   31.595   12.105   75.867   14.792   62.260   14.600 13.60704 20.78386 
1 1 1  -43    8   50 o   84.175   8.7124   53.975   9.8270   52.854   14.892   54.840   13.079   82.646   13.297   85.705   11.261 -3.058868 17.42477 
1 1 1  -43    8   51 o   84.549   8.8560   53.669   10.050   64.527   15.385   45.586   13.274   92.016   12.338   77.081   12.708 14.93515 17.71209 
1 1 1  -43    8   52 f   70.007   10.492   42.058   9.8587   26.739   14.762   54.391   13.246   55.000   17.554   85.014   11.497 -30.01362 20.98427 
1 1 1  -43    8   53 o   73.835   13.862   43.801   13.361   0.0000   0.0000   43.801   13.361  ?   ?    73.835   13.862      ?      ? 
1 1 1  -43    8   54 o   77.067   13.786   47.711   13.869   0.0000   0.0000   47.711   13.869  ?   ?    77.067   13.786      ?      ? 
1 1 1  -43    8   55 o   40.133   11.098   11.106   8.7577   14.822   13.096   8.1012   11.779   43.320   16.345   36.947   15.018 6.373493 22.19688 
1 1 1  -43    8   56 o   72.195   10.727   44.808   10.320   32.868   15.250   54.894   14.016   60.099   17.598   84.292   12.270 -24.19338 21.45360 
1 1 1  -43    8   57 o   40.842   10.517   11.281   8.5746  -0.8258   12.521   21.974   11.767   31.326   14.088   50.358   15.619 -19.03144 21.03395 
1 1 1  -43    8   58 o   89.626   9.6189   65.170   11.262   58.557   16.471   70.974   15.433   83.410   15.130   95.843   11.882 -12.43349 19.23784 
1 1 1  -43    8   59 o  102.371   12.839   83.060   17.811   83.060   17.811   0.0000   0.0000  102.371   12.839  ?   ?       ?      ? 
1 1 1  -43    8   60 o   48.930   11.821   21.750   9.5316   17.949   13.555   25.469   13.406   45.221   16.714   52.639   16.721 -7.417870 23.64206 
1 1 1  -43    8   61 o   57.045   12.048   30.410   10.010   32.225   14.668   28.828   13.695   58.409   17.302   55.681   16.770 2.727375 24.09538 
1 1 1  -43    8   62 o   64.504   11.716   38.388   10.442   31.032   14.551   46.197   14.993   56.910   17.319   72.098   15.783 -15.18707 23.43225 
1 1 1  -43    8   63 o   71.428   11.615   46.685   11.018   42.711   15.284   50.986   15.899   67.717   16.749   75.138   16.099 -7.421028 23.23092 
1 1 1  -43    8   64 o   38.180   11.181   10.439   9.4271   8.0681   12.699   13.350   14.070   35.990   15.190   40.369   16.412 -4.378372 22.36293 
1 1 1  -43    8   65 o   57.372   12.271   32.807   10.391   29.435   14.441   36.427   14.963   54.087   17.373   60.657   17.336 -6.569645 24.54293 
1 1 1  -43    8   66 o   90.810   14.098   71.284   17.349   0.0000   0.0000   71.284   17.349  ?   ?    90.810   14.098      ?      ? 
1 1 1  -43    8   67 o   39.170   16.168   13.181   13.915   0.0000   0.0000   13.181   13.915  ?   ?    39.170   16.168      ?      ? 
1 1 1  -43    8   68 o   47.912   17.282   24.563   14.362   0.0000   0.0000   24.563   14.362  ?   ?    47.912   17.282      ?      ? 
1 1 1  -43    8   69 o   39.529   16.314   14.817   14.165   0.0000   0.0000   14.817   14.165  ?   ?    39.529   16.314      ?      ? 
1 1 1  -43    9    1 o   85.633   8.7627   52.614   10.169   52.614   10.169   0.0000   0.0000   85.633   8.7627  ?   ?       ?      ? 
1 1 1  -43    9    2 o   71.581   9.6306   37.161   9.3419   37.161   9.3419   0.0000   0.0000   71.581   9.6306  ?   ?       ?      ? 
1 1 1  -43    9    3 o   78.019   9.3388   43.942   9.8737   43.942   9.8737   0.0000   0.0000   78.019   9.3388  ?   ?       ?      ? 
1 1 1  -43    9    4 o   90.018   8.6946   57.983   10.606   57.983   10.606   0.0000   0.0000   90.018   8.6946  ?   ?       ?      ? 
1 1 1  -43    9    5 o  120.682   7.9960  103.313   13.077  103.313   13.077   0.0000   0.0000  120.682   7.9960  ?   ?       ?      ? 
1 1 1  -43    9    7 o  133.054   7.6457  125.000   13.786  125.000   13.786   0.0000   0.0000  133.054   7.6457  ?   ?       ?      ? 
1 1 1  -43    9    8 o  105.165   8.1613   78.497   11.631   78.497   11.631   0.0000   0.0000  105.165   8.1613  ?   ?       ?      ? 
1 1 1  -43    9    9 o   81.885   9.0642   48.072   10.058   48.072   10.058   0.0000   0.0000   81.885   9.0642  ?   ?       ?      ? 
1 1 1  -43    9   10 o  103.809   8.0399   76.329   11.310   76.329   11.310   0.0000   0.0000  103.809   8.0399  ?   ?       ?      ? 
1 1 1  -43    9   11 o   28.296   11.904   2.0678   7.7592   2.0678   7.7592   0.0000   0.0000   28.296   11.904  ?   ?       ?      ? 
1 1 1  -43    9   12 o   32.804   12.598   6.3647   7.8679   6.3647   7.8679   0.0000   0.0000   32.804   12.598  ?   ?       ?      ? 
1 1 1  -43    9   13 o   80.346   9.1298   46.247   9.9404   46.247   9.9404   0.0000   0.0000   80.346   9.1298  ?   ?       ?      ? 
1 1 1  -43    9   14 o   42.855   13.145   14.192   8.3610   14.192   8.3610   0.0000   0.0000   42.855   13.145  ?   ?       ?      ? 
1 1 1  -43    9   15 o   89.268   8.9959   56.968   10.882   56.968   10.882   0.0000   0.0000   89.268   8.9959  ?   ?       ?      ? 
1 1 1  -43    9   16 o   79.064   9.7611   45.092   10.458   45.092   10.458   0.0000   0.0000   79.064   9.7611  ?   ?       ?      ? 
1 1 1  -43    9   17 o   54.263   12.750   22.875   9.2169   22.875   9.2169   0.0000   0.0000   54.263   12.750  ?   ?       ?      ? 
1 1 1  -43    9   18 f   72.965   10.261   38.630   10.146   38.630   10.146   0.0000   0.0000   72.965   10.261  ?   ?       ?      ? 
1 1 1  -43    9   19 o  133.794   7.7302  126.161   14.016  126.161   14.016   0.0000   0.0000  133.794   7.7302  ?   ?       ?      ? 
1 1 1  -43    9   20 o   95.336   6.4041   69.578   7.2617   76.590   8.7403   53.948   13.049  104.998   6.1427   85.673   11.239 19.32465 12.80824 
1 1 1  -43    9   21 o  129.921   5.4257  120.357   8.6963  122.674   10.422  115.048   15.777  133.073   5.7796  126.770   9.1841 6.303307 10.85138 
1 1 1  -43    9   22 o  126.423   5.3755  109.965   8.3902  106.441   9.9293  118.761   15.689  123.893   5.9141  128.952   8.9783 -5.059998 10.75109 
1 1 1  -43    9   23 o  107.447   5.6461   82.350   7.5516   83.679   9.1041   79.419   13.520  109.759   6.1209  105.135   9.4895 4.624367 11.29230 
1 1 1  -43    9   24 o  134.165   5.3126  125.748   8.9247  124.388   10.729  128.803   16.080  133.928   5.9115  134.401   8.8289 -0.4724426 10.62523 
1 1 1  -43    9   25 o   83.036   7.0947   49.543   7.9341   46.936   10.550   52.937   12.037   80.740   9.6424   85.331   10.410 -4.590866 14.18936 
1 1 1  -43    9   26 o   61.277   7.7419   27.151   5.9109   25.738   7.1813   30.121   10.409   60.074   8.8213   62.481   12.725 -2.407265 15.48388 
1 1 1  -43    9   27 o   71.591   7.7694   40.851   6.5233   46.269   8.0155   30.223   11.226   81.188   7.2854   61.994   13.725 19.19426 15.53874 
1 1 1  -43    9   28 o   85.215   6.3177   51.090   6.8208   49.671   8.2546   54.143   12.110   84.132   7.2402   86.297   10.355 -2.165123 12.63539 
1 1 1  -43    9   29 o   45.594   7.9707   17.489   5.8290   25.848   7.2375   2.0551   9.8340   60.165   8.8770   31.024   13.241 29.14061 15.94130 
1 1 1  -43    9   30 o   62.193   8.9935   27.666   7.5797   27.666   7.5797   0.0000   0.0000   62.193   8.9935  ?   ?       ?      ? 
1 1 1  -43    9   31 o   39.884   11.961   12.110   6.9775   12.110   6.9775   0.0000   0.0000   39.884   11.961  ?   ?       ?      ? 
1 1 1  -43    9   32 o   30.534   8.8028   2.5317   5.8788  -1.6906   7.7336   8.3112   9.0481   25.143   11.207   35.924   13.578 -10.78031 17.60553 
1 1 1  -43    9   33 o  103.570   6.4248   76.938   8.8407   77.168   11.463   76.600   13.888  104.340   8.1073  102.801   9.9692 1.538689 12.84961 
1 1 1  -43    9   34 o   65.307   8.6278   32.009   7.3266   30.631   9.4186   34.120   11.659   64.646   10.751   65.968   13.497 -1.322189 17.25569 
1 1 1  -43    9   35 o  100.620   6.6082   72.574   8.8023   71.462   11.284   74.303   14.069  100.260   8.3049  100.981   10.281 -0.7204285 13.21647 
1 1 1  -43    9   36 o  133.725   6.0410  127.655   10.675  128.162   13.704  126.872   17.023  134.829   7.5004  132.622   9.4720 2.206375 12.08205 
1 1 1  -43    9   37 o  125.450   6.2426  113.781   10.324  118.200   13.340  107.180   16.302  129.384   7.6082  121.517   9.8994 7.867668 12.48530 
1 1 1  -43    9   38 o  122.258   6.1559  105.404   9.9528  100.219   12.636  113.876   16.154  118.965   7.8381  125.552   9.4945 -6.586945 12.31179 
1 1 1  -43    9   39 o   77.466   9.3064   46.968   9.3403   41.388   14.040   51.398   12.511   71.546   14.962   83.386   11.071 -11.84055 18.61278 
1 1 1  -43    9   40 o   78.129   9.6013   49.595   9.4878   34.392   14.107   62.151   12.821   64.057   16.231   92.201   10.261 -28.14402 19.20266 
1 1 1  -43    9   41 o   73.874   8.0758   41.497   7.6108   43.356   9.7917   38.659   12.097   77.475   9.3264   70.273   13.187 7.201591 16.15166 
1 1 1  -43    9   42 o   84.933   7.2096   52.427   8.1980   50.542   10.722   55.079   12.719   83.538   9.4716   86.328   10.872 -2.789574 14.41930 
1 1 1  -43    9   43 o   61.711   9.2840   30.195   7.4217   30.980   9.6516   29.060   11.609   63.639   11.620   59.782   14.483 3.857044 18.56804 
1 1 1  -43    9   44 o   39.086   9.8537   5.8060   7.8661   22.978   11.912  -7.4722   10.475   52.452   15.605   25.720   12.036 26.73254 19.70747 
1 1 1  -43    9   45 o   41.415   15.429   12.701   11.597   12.701   11.597   0.0000   0.0000   41.415   15.429  ?   ?       ?      ? 
1 1 1  -43    9   46 o   63.301   10.633   33.172   8.9864   31.618   13.057   34.570   12.387   61.374   15.651   65.229   14.398 -3.855480 21.26641 
1 1 1  -43    9   47 o   69.723   10.205   39.396   9.2976   40.462   13.759   38.499   12.613   70.217   14.920   69.228   13.928 0.9885406 20.41018 
1 1 1  -43    9   48 o   71.998   10.426   44.008   9.9497   28.774   14.687   56.931   13.527   57.035   17.409   86.961   11.479 -29.92601 20.85258 
1 1 1  -43    9   49 o   74.672   10.138   43.727   9.9598   58.460   15.372   33.065   13.076   86.718   13.081   62.627   15.493 24.09041 20.27627 
1 1 1  -43    9   50 o   69.540   10.525   39.802   9.6107   44.913   14.157   35.435   13.089   73.988   14.638   65.093   15.126 8.895454 21.04964 
1 1 1  -43    9   51 o   48.518   11.470   20.036   8.8769   22.828   12.971   17.576   12.174   51.183   16.468   45.854   15.970 5.329117 22.93950 
1 1 1  -43    9   52 o   85.403   9.1226   57.129   10.527   53.543   15.032   60.581   14.746   82.236   13.489   88.569   12.286 -6.332275 18.24517 
1 1 1  -43    9   53 o   72.070   14.646   43.181   13.816   0.0000   0.0000   43.181   13.816  ?   ?    72.070   14.646      ?      ? 
1 1 1  -43    9   54 o   45.106   16.151   17.268   12.521   0.0000   0.0000   17.268   12.521  ?   ?    45.106   16.151      ?      ? 
1 1 1  -43    9   55 o   47.291   11.830   19.715   9.4521   20.784   13.887   18.792   12.902   48.182   17.036   46.399   16.418 1.782696 23.65977 
1 1 1  -43    9   56 o   76.187   10.391   48.878   10.462   42.650   14.965   54.832   14.631   69.462   16.197   82.911   13.022 -13.44926 20.78249 
1 1 1  -43    9   57 o   76.494   10.571   49.553   10.709   59.593   15.535   40.464   14.782   85.872   13.350   67.116   16.393 18.75638 21.14163 
1 1 1  -43    9   58 o   38.932   10.842   9.4262   9.1581  -1.0857   12.992   19.809   12.912   31.135   14.142   46.730   16.437 -15.59544 21.68315 
1 1 1  -43    9   59 o   43.255   16.452   16.377   13.337   16.377   13.337   0.0000   0.0000   43.255   16.452  ?   ?       ?      ? 
1 1 1  -43    9   60 o   49.293   11.779   23.105   9.4459   26.053   13.080   19.892   13.656   52.492   16.497   46.094   16.818 6.398102 23.55851 
1 1 1  -43    9   61 o   44.937   11.128   15.664   9.5073   2.0682   12.845   32.134   14.138   32.258   14.406   57.616   16.965 -25.35794 22.25621 
1 1 1  -43    9   62 o   48.448   11.994   22.735   9.9365   16.478   13.649   29.791   14.494   42.468   16.515   54.429   17.396 -11.96126 23.98710 
1 1 1  -43    9   63 o   66.232   11.651   42.287   10.847   28.892   14.943   57.206   15.770   52.694   17.711   79.770   15.142 -27.07641 23.30210 
1 1 1  -43    9   64 o   74.421   11.172   51.478   11.167   41.225   15.387   62.888   16.232   63.937   17.327   84.906   14.107 -20.96934 22.34374 
1 1 1  -43    9   65 o   44.160   11.115   16.011   9.8655  -0.2487   13.572   34.230   14.366   30.766   14.154   57.553   17.141 -26.78755 22.22908 
1 1 1  -43    9   66 o   62.951   17.520   41.732   15.494   0.0000   0.0000   41.732   15.494  ?   ?    62.951   17.520      ?      ? 
1 1 1  -43    9   67 o   31.585   14.272   3.1798   13.028   0.0000   0.0000   3.1798   13.028  ?   ?    31.585   14.272      ?      ? 
1 1 1  -43   10    1 o  100.731   8.2842   72.718   11.308   72.718   11.308   0.0000   0.0000  100.731   8.2842  ?   ?       ?      ? 
1 1 1  -43   10    3 o   33.343   13.089   6.5229   8.6357   6.5229   8.6357   0.0000   0.0000   33.343   13.089  ?   ?       ?      ? 
1 1 1  -43   10    4 o   61.769   11.269   29.124   9.0854   29.124   9.0854   0.0000   0.0000   61.769   11.269  ?   ?       ?      ? 
1 1 1  -43   10    5 o   59.003   11.782   26.866   9.0910   26.866   9.0910   0.0000   0.0000   59.003   11.782  ?   ?       ?      ? 
1 1 1  -43   10    6 o   42.831   13.177   14.450   8.3945   14.450   8.3945   0.0000   0.0000   42.831   13.177  ?   ?       ?      ? 
1 1 1  -43   10    7 o   68.175   10.007   33.963   9.2448   33.963   9.2448   0.0000   0.0000   68.175   10.007  ?   ?       ?      ? 
1 1 1  -43   10    8 o   45.895   12.925   16.659   8.3803   16.659   8.3803   0.0000   0.0000   45.895   12.925  ?   ?       ?      ? 
1 1 1  -43   10    9 o   72.645   9.6636   38.330   9.5133   38.330   9.5133   0.0000   0.0000   72.645   9.6636  ?   ?       ?      ? 
1 1 1  -43   10   10 o  114.614   7.8474   93.200   12.188   93.200   12.188   0.0000   0.0000  114.614   7.8474  ?   ?       ?      ? 
1 1 1  -43   10   11 o   87.193   8.7662   54.523   10.358   54.523   10.358   0.0000   0.0000   87.193   8.7662  ?   ?       ?      ? 
1 1 1  -43   10   12 o   80.454   9.1553   46.636   9.9817   46.636   9.9817   0.0000   0.0000   80.454   9.1553  ?   ?       ?      ? 
1 1 1  -43   10   13 o  128.639   7.6546  117.061   13.344  117.061   13.344   0.0000   0.0000  128.639   7.6546  ?   ?       ?      ? 
1 1 1  -43   10   14 o   83.680   9.1400   50.410   10.365   50.410   10.365   0.0000   0.0000   83.680   9.1400  ?   ?       ?      ? 
1 1 1  -43   10   15 o   83.215   9.3687   49.986   10.565   49.986   10.565   0.0000   0.0000   83.215   9.3687  ?   ?       ?      ? 
1 1 1  -43   10   16 o  115.369   8.1056   94.580   12.672   94.580   12.672   0.0000   0.0000  115.369   8.1056  ?   ?       ?      ? 
1 1 1  -43   10   17 o   87.495   9.0523   55.013   10.733   55.013   10.733   0.0000   0.0000   87.495   9.0523  ?   ?       ?      ? 
1 1 1  -43   10   18 o   82.282   9.5120   48.934   10.606   48.934   10.606   0.0000   0.0000   82.282   9.5120  ?   ?       ?      ? 
1 1 1  -43   10   19 o   74.875   9.9329   40.746   10.079   40.746   10.079   0.0000   0.0000   74.875   9.9329  ?   ?       ?      ? 
1 1 1  -43   10   20 o   58.032   12.180   26.016   9.2736   26.016   9.2736   0.0000   0.0000   58.032   12.180  ?   ?       ?      ? 
1 1 1  -43   10   21 o   54.993   16.222   25.306   12.916   25.306   12.916   0.0000   0.0000   54.993   16.222  ?   ?       ?      ? 
1 1 1  -43   10   22 o   45.171   15.791   16.039   11.908   16.039   11.908   0.0000   0.0000   45.171   15.791  ?   ?       ?      ? 
1 1 1  -43   10   23 o   46.235   16.168   16.997   12.484   16.997   12.484   0.0000   0.0000   46.235   16.168  ?   ?       ?      ? 
1 1 1  -43   10   24 f   60.538   16.130   30.629   13.471   30.629   13.471   0.0000   0.0000   60.538   16.130  ?   ?       ?      ? 
1 1 1  -43   10   25 o   80.854   13.455   50.209   14.742   50.209   14.742   0.0000   0.0000   80.854   13.455  ?   ?       ?      ? 
1 1 1  -43   10   26 o   68.045   10.195   37.592   9.0491   32.790   14.472   40.675   11.595   62.185   16.784   73.904   11.578 -11.71822 20.38980 
1 1 1  -43   10   27 o  114.707   6.1567   94.943   9.2793   97.762   11.894   90.559   14.833  117.715   7.4563  111.698   9.7991 6.017105 12.31339 
1 1 1  -43   10   28 o   87.472   7.0554   57.900   7.9429   66.835   10.376   45.251   12.345   97.095   7.8858   77.849   11.702 19.24570 14.11086 
1 1 1  -43   10   29 o   63.076   8.6001   30.539   7.0338   31.344   9.0891   29.337   11.106   65.494   10.241   60.659   13.819 4.835701 17.20014 
1 1 1  -43   10   30 o  125.410   6.1205  113.090   10.079  114.918   12.856  110.174   16.237  127.608   7.4346  123.212   9.7245 4.396484 12.24091 
1 1 1  -43   10   31 o   84.463   8.8263   51.184   10.102   51.184   10.102   0.0000   0.0000   84.463   8.8263  ?   ?       ?      ? 
1 1 1  -43   10   32 o   62.818   9.1590   30.910   7.3915   31.833   9.2866   29.315   12.210   65.887   10.401   59.749   15.079 6.138069 18.31803 
1 1 1  -43   10   33 o  104.656   6.6978   79.713   9.1852   81.117   11.692   77.448   14.845  106.782   8.0800  102.529   10.684 4.252464 13.39567 
1 1 1  -43   10   34 o   60.796   9.2287   29.062   7.1935   29.007   9.1080   29.154   11.728   61.745   11.302   59.846   14.593 1.898754 18.45745 
1 1 1  -43   10   35 o   35.181   9.5171   7.1727   6.2942   4.2263   8.1142   11.624   9.9732   30.615   12.457   39.748   14.392 -9.132933 19.03429 
1 1 1  -43   10   36 f   63.611   9.0993   34.182   7.4414   42.452   9.5323   21.278   11.907   76.665   9.1752   50.557   15.716 26.10770 18.19858 
1 1 1  -43   10   37 o   54.957   11.063   25.069   8.6060   28.099   12.901   22.639   11.552   57.718   15.959   52.196   15.326 5.522758 22.12616 
1 1 1  -43   10   38 o   62.917   10.628   32.403   8.8913   34.738   13.408   30.570   11.879   64.625   15.508   61.208   14.537 3.417030 21.25636 
1 1 1  -43   10   39 o   70.553   10.242   39.685   9.3233   44.043   14.751   36.786   12.031   73.076   15.383   68.030   13.526 5.045715 20.48390 
1 1 1  -43   10   40 o   58.522   14.001   27.763   10.955   0.0000   0.0000   27.763   10.955  ?   ?    58.522   14.001      ?      ? 
1 1 1  -43   10   41 o   54.942   10.417   24.149   8.2121   35.346   12.411   15.429   10.953   65.970   14.296   43.914   15.156 22.05644 20.83401 
1 1 1  -43   10   42 o   99.694   7.9568   75.038   10.625   64.330   15.221   85.215   14.839   91.833   12.231  107.555   10.181 -15.72255 15.91360 
1 1 1  -43   10   43 o   70.728   10.012   39.485   9.3951   49.764   14.227   31.536   12.511   80.015   13.121   61.441   15.127 18.57355 20.02473 
1 1 1  -43   10   44 o   64.162   10.855   34.367   9.2522   36.550   14.061   32.701   12.287   65.466   15.987   62.859   14.689 2.607315 21.71079 
1 1 1  -43   10   45 o   67.727   16.020   39.188   14.473   39.188   14.473   0.0000   0.0000   67.727   16.020  ?   ?       ?      ? 
1 1 1  -43   10   46 o   82.499   9.4621   53.651   10.280   62.008   15.064   46.367   14.064   89.634   12.402   75.364   14.294 14.26959 18.92425 
1 1 1  -43   10   47 o   58.036   11.494   29.117   9.4209   34.627   14.049   24.614   12.699   62.997   16.324   53.076   16.186 9.920822 22.98791 
1 1 1  -43   10   48 o   63.340   11.149   34.989   9.5658   31.087   14.310   38.141   12.862   58.849   16.994   67.831   14.435 -8.981525 22.29766 
1 1 1  -43   10   49 o   34.221   10.152   3.3174   8.1527   12.244   12.528  -3.2395   10.737   40.534   15.806   27.908   12.746 12.62629 20.30466 
1 1 1  -43   10   50 o   36.107   10.225   6.6666   8.2696  -3.0033   12.231   14.809   11.224   29.728   13.587   42.485   15.284 -12.75649 20.45010 
1 1 1  -43   10   51 o   36.863   9.9079   5.1253   8.3590 -11.4568   12.131   20.116   11.534   25.711   12.299   48.015   15.537 -22.30364 19.81588 
1 1 1  -43   10   52 o   35.134   10.343   4.9208   8.4936   13.350   12.486  -2.3398   11.588   41.061   15.843   29.206   13.301 11.85475 20.68634 
1 1 1  -43   10   53 o   63.771   15.892   36.144   13.684   0.0000   0.0000   36.144   13.684  ?   ?    63.771   15.892      ?      ? 
1 1 1  -43   10   54 o   73.093   15.242   46.384   14.608   0.0000   0.0000   46.384   14.608  ?   ?    73.093   15.242      ?      ? 
1 1 1  -43   10   55 o   34.551   10.229   2.8165   8.7832  -8.5071   12.056   15.624   12.822   26.517   12.563   42.584   16.147 -16.06670 20.45875 
1 1 1  -43   10   56 o   32.723   9.9198   1.3041   8.6014 -10.2236   12.253   12.503   12.077   25.961   12.402   39.486   15.485 -13.52587 19.83962 
1 1 1  -43   10   57 o   53.779   11.693   27.203   9.8509   17.486   13.551   38.093   14.346   43.745   16.597   63.813   16.476 -20.06807 23.38610 
1 1 1  -43   10   58 o   66.793   11.818   42.105   10.776   34.183   14.715   51.268   15.826   58.863   17.301   74.723   16.104 -15.85959 23.63563 
1 1 1  -43   10   59 o   77.011   15.829   54.354   15.967   54.354   15.967   0.0000   0.0000   77.011   15.829  ?   ?       ?      ? 
1 1 1  -43   10   60 o   58.541   12.152   34.616   10.313   37.014   14.424   32.107   14.750   61.275   16.847   55.806   17.516 5.468494 24.30302 
1 1 1  -43   10   61 o   60.956   11.960   37.482   10.359   42.776   14.579   32.084   14.722   66.600   16.289   55.312   17.517 11.28782 23.91995 
1 1 1  -43   10   62 o   47.580   11.982   23.442   9.9783   16.998   13.796   30.511   14.449   41.651   16.482   53.508   17.396 -11.85678 23.96377 
1 1 1  -43   10   63 o   46.885   11.681   22.814   9.8313   31.878   13.851   13.611   13.957   55.052   16.924   38.718   16.104 16.33393 23.36137 
1 1 1  -43   10   64 o   42.239   10.747   13.923   9.3187  -2.0722   12.605   33.203   13.839   28.607   13.326   55.872   16.865 -27.26415 21.49442 
1 1 1  -43   11    1 o   68.287   14.414   38.677   12.919   38.677   12.919   0.0000   0.0000   68.287   14.414  ?   ?       ?      ? 
1 1 1  -43   11    2 o   73.815   14.153   44.606   13.642   44.606   13.642   0.0000   0.0000   73.815   14.153  ?   ?       ?      ? 
1 1 1  -43   11    3 o   86.504   12.802   58.366   15.007   58.366   15.007   0.0000   0.0000   86.504   12.802  ?   ?       ?      ? 
1 1 1  -43   11    4 o   33.450   14.106   4.5550   10.936   4.5550   10.936   0.0000   0.0000   33.450   14.106  ?   ?       ?      ? 
1 1 1  -43   11    5 o   55.449   15.618   26.325   12.236   26.325   12.236   0.0000   0.0000   55.449   15.618  ?   ?       ?      ? 
1 1 1  -43   11    6 o   48.536   15.860   19.996   12.005   19.996   12.005   0.0000   0.0000   48.536   15.860  ?   ?       ?      ? 
1 1 1  -43   11    7 o   32.163   13.784   2.9450   10.738   2.9450   10.738   0.0000   0.0000   32.163   13.784  ?   ?       ?      ? 
1 1 1  -43   11    8 o   60.050   15.597   30.563   12.806   30.563   12.806   0.0000   0.0000   60.050   15.597  ?   ?       ?      ? 
1 1 1  -43   11    9 o   63.841   15.407   34.199   13.176   34.199   13.176   0.0000   0.0000   63.841   15.407  ?   ?       ?      ? 
1 1 1  -43   11   10 o  132.494   11.235  131.650   20.173  131.650   20.173   0.0000   0.0000  132.494   11.235  ?   ?       ?      ? 
1 1 1  -43   11   11 o   70.602   15.049   41.103   13.958   41.103   13.958   0.0000   0.0000   70.602   15.049  ?   ?       ?      ? 
1 1 1  -43   11   12 o   53.815   16.232   24.792   12.823   24.792   12.823   0.0000   0.0000   53.815   16.232  ?   ?       ?      ? 
1 1 1  -43   11   13 o  111.351   11.443   93.112   17.267   93.112   17.267   0.0000   0.0000  111.351   11.443  ?   ?       ?      ? 
1 1 1  -43   11   14 o  106.445   11.790   85.554   17.007   85.554   17.007   0.0000   0.0000  106.445   11.790  ?   ?       ?      ? 
1 1 1  -43   11   15 o   90.819   12.697   63.265   15.627   63.265   15.627   0.0000   0.0000   90.819   12.697  ?   ?       ?      ? 
1 1 1  -43   11   16 o   47.339   15.987   18.531   12.176   18.531   12.176   0.0000   0.0000   47.339   15.987  ?   ?       ?      ? 
1 1 1  -43   11   17 o  102.699   12.055   79.904   16.777   79.904   16.777   0.0000   0.0000  102.699   12.055  ?   ?       ?      ? 
1 1 1  -43   11   18 o   94.885   12.376   68.576   15.913   68.576   15.913   0.0000   0.0000   94.885   12.376  ?   ?       ?      ? 
1 1 1  -43   11   19 o   75.215   14.326   45.525   14.069   45.525   14.069   0.0000   0.0000   75.215   14.326  ?   ?       ?      ? 
1 1 1  -43   11   20 o   78.834   14.425   50.006   14.843   50.006   14.843   0.0000   0.0000   78.834   14.425  ?   ?       ?      ? 
1 1 1  -43   11   21 o   49.297   15.949   20.316   12.155   20.316   12.155   0.0000   0.0000   49.297   15.949  ?   ?       ?      ? 
1 1 1  -43   11   22 o   59.483   15.666   29.720   12.803   29.720   12.803   0.0000   0.0000   59.483   15.666  ?   ?       ?      ? 
1 1 1  -43   11   23 o   90.518   12.822   62.890   15.728   62.890   15.728   0.0000   0.0000   90.518   12.822  ?   ?       ?      ? 
1 1 1  -43   11   24 o   67.507   15.545   37.913   13.927   37.913   13.927   0.0000   0.0000   67.507   15.545  ?   ?       ?      ? 
1 1 1  -43   11   25 o   89.232   12.967   61.304   15.680   61.304   15.680   0.0000   0.0000   89.232   12.967  ?   ?       ?      ? 
1 1 1  -43   11   26 f  100.055   12.245   76.097   16.602   76.097   16.602   0.0000   0.0000  100.055   12.245  ?   ?       ?      ? 
1 1 1  -43   11   27 o   19.307   9.6038 -22.0291   9.8494 -22.0291   9.8494   0.0000   0.0000   19.307   9.6038  ?   ?       ?      ? 
1 1 1  -43   11   33 o  110.069   7.5686   88.682   11.192  106.186   16.960   75.180   14.896  119.775   10.449  100.364   10.952 19.41075 15.13728 
1 1 1  -43   11   34 o   68.139   10.064   37.446   8.9448   40.665   13.526   34.944   11.924   70.460   14.644   65.818   13.810 4.642632 20.12852 
1 1 1  -43   11   35 o   50.435   10.960   21.501   8.2041   21.215   12.152   21.740   11.121   49.949   15.925   50.920   15.062 -0.9709053 21.91966 
1 1 1  -43   11   36 o   36.560   10.199   8.4263   7.5172   5.8389   11.219   10.534   10.126   34.826   14.458   38.294   14.388 -3.467514 20.39710 
1 1 1  -43   11   37 o   37.308   10.105   7.1474   7.7539   17.319   11.443  -1.4884   10.544   45.705   15.498   28.910   12.971 16.79430 20.20983 
1 1 1  -43   11   38 o   67.543   10.450   37.934   9.2828   36.506   13.624   39.172   12.682   65.637   15.555   69.448   13.960 -3.810318 20.90061 
1 1 1  -43   11   39 o   63.173   10.717   33.491   9.0505   36.552   13.269   30.828   12.376   65.942   15.165   60.404   15.147 5.538155 21.43400 
1 1 1  -43   11   40 o   99.016   11.134   74.029   14.940   0.0000   0.0000   74.029   14.940  ?   ?    99.016   11.134      ?      ? 
1 1 1  -43   11   41 o   89.844   8.5026   61.586   10.283   71.981   15.234   52.885   13.938   97.149   11.572   82.540   12.461 14.60918 17.00514 
1 1 1  -43   11   42 o   61.822   10.484   33.085   8.8702   24.035   13.009   40.947   12.126   52.098   16.464   71.546   12.985 -19.44820 20.96804 
1 1 1  -43   11   43 o   68.126   10.291   38.469   9.1693   41.832   13.806   35.814   12.265   70.524   14.912   65.728   14.186 4.795433 20.58184 
1 1 1  -43   11   44 o   51.866   11.274   23.405   8.7452   28.422   12.954   19.204   11.854   56.646   16.110   47.085   15.775 9.561832 22.54760 
1 1 1  -43   11   45 o   80.246   14.631   53.805   15.325   53.805   15.325   0.0000   0.0000   80.246   14.631  ?   ?       ?      ? 
1 1 1  -43   11   46 o   78.632   10.193   52.055   10.438   41.962   15.125   61.232   14.422   68.611   16.475   88.652   12.005 -20.04116 20.38500 
1 1 1  -43   11   47 o   48.599   11.000   20.781   8.7687   11.934   12.713   28.810   12.111   39.865   15.807   57.333   15.302 -17.46731 22.00007 
1 1 1  -43   11   48 o   37.443   10.386   8.9396   8.0965   1.9056   11.327   16.289   11.578   31.351   13.787   43.535   15.537 -12.18353 20.77252 
1 1 1  -43   11   49 o   49.248   11.362   21.891   8.9664   15.968   12.605   27.957   12.757   43.078   16.079   55.417   16.058 -12.33941 22.72402 
1 1 1  -43   11   50 o   56.984   11.364   30.054   9.4294   22.854   13.540   36.834   13.140   49.312   16.858   64.657   15.245 -15.34507 22.72865 
1 1 1  -43   11   51 o   42.048   11.287   15.082   8.8563   17.509   13.067   13.019   12.045   44.113   16.389   39.982   15.524 4.131275 22.57428 
1 1 1  -43   11   52 o   39.038   10.697   10.312   8.6788   20.745   12.679   1.1147   11.905   47.084   16.303   30.992   13.852 16.09244 21.39342 
1 1 1  -43   11   53 o   36.161   14.915   8.9616   11.832   0.0000   0.0000   8.9616   11.832  ?   ?    36.161   14.915      ?      ? 
1 1 1  -43   11   54 o   34.611   10.130   4.1874   8.5095   16.796   12.436  -6.9154   11.669   42.818   15.973   26.404   12.464 16.41436 20.26051 
1 1 1  -43   11   55 o   43.245   11.565   17.646   9.2864   17.526   13.313   17.758   12.960   43.119   16.428   43.370   16.281 -0.2510643 23.12923 
1 1 1  -43   11   56 o   35.402   10.296   5.8057   8.7687  -5.8516   12.211   18.219   12.600   27.230   12.822   43.575   16.113 -16.34532 20.59217 
1 1 1  -43   11   57 f   43.860   11.386   17.251   9.6530   6.2416   13.280   29.585   14.056   34.250   14.998   53.470   17.136 -19.21979 22.77276 
1 1 1  -43   11   58 o   61.058   17.042   38.089   14.638   38.089   14.638   0.0000   0.0000   61.058   17.042  ?   ?       ?      ? 
1 1 1  -43   11   59 o   49.176   16.965   25.869   13.723   25.869   13.723   0.0000   0.0000   49.176   16.965  ?   ?       ?      ? 
1 1 1  -43   11   60 f   32.511   10.033   4.2111   8.8107   12.621   12.269  -4.7430   12.660   37.497   15.295   27.525   12.990 9.971809 20.06668 
1 1 1  -43   12   40 o   62.720   16.349   35.483   14.038   0.0000   0.0000   35.483   14.038  ?   ?    62.720   16.349      ?      ? 
1 1 1  -43   12   41 o   38.330   10.017   8.7282   8.0056   20.848   11.226  -3.8127   11.420   48.558   15.288   28.102   12.949 20.45609 20.03473 
1 1 1  -43   12   42 o   68.676   10.244   40.153   9.4299   32.019   13.226   48.565   13.449   59.487   16.040   77.864   12.746 -18.37722 20.48757 
1 1 1  -43   12   43 o   46.109   10.864   18.070   8.5943   8.7328   11.984   27.956   12.332   36.576   15.040   55.643   15.681 -19.06667 21.72776 
1 1 1  -43   12   44 o   36.963   10.642   9.4421   8.3786   9.5650   12.045   9.3269   11.662   37.156   15.155   36.769   14.945 0.3869476 21.28412 
1 1 1  -43   12   45 o   60.204   16.098   33.346   13.388   33.346   13.388   0.0000   0.0000   60.204   16.098  ?   ?       ?      ? 
1 1 1  -43   12   46 o   47.422   11.559   21.080   9.0540   23.498   12.837   18.686   12.772   49.825   16.406   45.019   16.289 4.806393 23.11895 
1 1 1  -43   12   47 o   52.598   11.733   26.598   9.3502   26.462   13.384   26.728   13.068   52.334   16.716   52.863   16.470 -0.5292892 23.46685 
1 1 1  -43   12   48 o   55.673   11.628   29.772   9.4052   27.984   13.406   31.506   13.198   53.665   16.675   57.682   16.211 -4.017471 23.25688 
1 1 1  -43   12   49 o   31.039   9.8121   1.4319   8.5063  -1.5447   12.040   4.3979   12.019   29.314   13.429   32.763   14.310 -3.448689 19.62430 
1 1 1  -43   12   50 o   50.737   11.510   24.926   9.6415   14.562   13.526   35.632   13.747   40.561   16.232   60.912   16.324 -20.35082 23.02021 
1 1 1  -43   12   51 o   39.177   10.741   11.669   8.8791   22.048   12.624   1.5086   12.491   47.250   16.273   31.104   14.022 16.14559 21.48122 
1 1 1  -43   12   52 o   68.045   10.767   43.495   10.352   25.931   14.291   62.887   15.016   49.659   17.302   86.430   12.821 -36.77160 21.53455 
1 1 1  -43   12   53 o   52.290   17.072   28.675   13.910   0.0000   0.0000   28.675   13.910  ?   ?    52.290   17.072      ?      ? 
1 1 1  -43   12   54 o   69.075   11.412   46.604   10.516   50.654   14.865   42.546   14.879   73.253   15.460   64.898   16.791 8.354988 22.82459 
1 1 1  -43   12   55 o   60.599   12.073   38.860   10.510   44.647   14.747   32.888   14.982   66.807   16.409   54.391   17.715 12.41646 24.14673 
1 1 1  -43   12   56 o   66.358   11.727   45.024   10.525   46.464   14.730   43.521   15.045   68.183   16.184   64.534   16.976 3.648491 23.45414 
1 1 1  -43   13   48 o   32.918   9.4355  -2.4002   8.5911   20.678   11.946 -27.1237   12.364   45.312   15.817   20.524   10.292 24.78819 18.87092 
1 1 1  -43   13   49 o   39.066   9.8729   9.4250   8.3808  -8.2936   11.725   27.936   11.984   25.208   12.067   52.923   15.630 -27.71553 19.74578 
1 1 1  -43   13   50 o   25.816   8.6343  -6.2835   8.0712  -1.0373   11.454 -11.4579   11.375   28.087   12.951   23.545   11.422 4.542408 17.26852 
1 1 1  -42    0    1 o   15.516   10.806  -7.2295   8.1532   0.0000   0.0000  -7.2295   8.1532   15.516   10.806   15.516   10.806 -0.000000 0.000000 
1 1 1  -42    0    2 o   52.151   16.755   24.065   10.448   0.0000   0.0000   24.065   10.448   52.151   16.755   52.151   16.755 -0.000000 0.000000 
1 1 1  -42    0    3 f  147.846   9.2137  151.992   18.295   0.0000   0.0000  151.992   18.295  147.846   9.2137  147.846   9.2137 -0.000000 0.000000 
1 1 1  -42    0    4 o  166.004   9.1829  191.089   20.513   0.0000   0.0000  191.089   20.513  166.004   9.1829  166.004   9.1829 -0.000000 0.000000 
1 1 1  -42    0    5 o  275.131   9.8280  523.108   36.537   0.0000   0.0000  523.108   36.537  275.131   9.8280  275.131   9.8280 -0.000000 0.000000 
1 1 1  -42    0    6 o   33.143   15.275   11.189   7.5394   0.0000   0.0000   11.189   7.5394   33.143   15.275   33.143   15.275 -0.000000 0.000000 
1 1 1  -42    0    7 o  110.109   7.3048   83.917   10.790   0.0000   0.0000   83.917   10.790  110.109   7.3048  110.109   7.3048 -0.000000 0.000000 
1 1 1  -42    0    8 o  122.387   7.0679  103.289   11.633   0.0000   0.0000  103.289   11.633  122.387   7.0679  122.387   7.0679 -0.000000 0.000000 
1 1 1  -42    0    9 o   61.443   10.877   28.245   8.2101   0.0000   0.0000   28.245   8.2101   61.443   10.877   61.443   10.877 -0.000000 0.000000 
1 1 1  -42    0   10 o  103.871   7.6856   74.939   10.682   0.0000   0.0000   74.939   10.682  103.871   7.6856  103.871   7.6856 -0.000000 0.000000 
1 1 1  -42    0   11 o   81.923   8.7736   47.514   9.4583   0.0000   0.0000   47.514   9.4583   81.923   8.7736   81.923   8.7736 -0.000000 0.000000 
1 1 1  -42    0   12 o  101.273   7.8470   71.352   10.620   0.0000   0.0000   71.352   10.620  101.273   7.8470  101.273   7.8470 -0.000000 0.000000 
1 1 1  -42    0   13 o  333.144   7.5473  759.391   34.033   0.0000   0.0000  759.391   34.033  333.144   7.5473  333.144   7.5473 -0.000000 0.000000 
1 1 1  -42    0   14 o   70.099   10.477   35.913   9.2978   0.0000   0.0000   35.913   9.2978   70.099   10.477   70.099   10.477 -0.000000 0.000000 
1 1 1  -42    0   15 f  174.772   6.8420  209.290   16.148   0.0000   0.0000  209.290   16.148  174.772   6.8420  174.772   6.8420 -0.000000 0.000000 
1 1 1  -42    0   16 o  105.759   7.9514   77.725   11.248   0.0000   0.0000   77.725   11.248  105.759   7.9514  105.759   7.9514 -0.000000 0.000000 
1 1 1  -42    0   17 o  187.377   6.8932  240.442   17.450   0.0000   0.0000  240.442   17.450  187.377   6.8932  187.377   6.8932 -0.000000 0.000000 
1 1 1  -42    0   18 o  168.258   6.9665  194.103   15.823   0.0000   0.0000  194.103   15.823  168.258   6.9665  168.258   6.9665 -0.000000 0.000000 
1 1 1  -42    0   19 o  342.684   7.7653  803.593   36.019   0.0000   0.0000  803.593   36.019  342.684   7.7653  342.684   7.7653 -0.000000 0.000000 
1 1 1  -42    0   20 f  215.055   6.9952  316.484   20.337   0.0000   0.0000  316.484   20.337  215.055   6.9952  215.055   6.9952 -0.000000 0.000000 
1 1 1  -42    0   21 f  129.239   7.5964  115.235   13.199   0.0000   0.0000  115.235   13.199  129.239   7.5964  129.239   7.5964 -0.000000 0.000000 
1 1 1  -42    0   22 o  224.008   7.0431  343.348   21.332   0.0000   0.0000  343.348   21.332  224.008   7.0431  224.008   7.0431 -0.000000 0.000000 
1 1 1  -42    0   23 o  348.695   7.7747  839.265   36.633  880.031   52.705  801.166   50.952  356.948   10.919  340.442   11.071 -0.000000 0.000000 
1 1 1  -42    0   24 o  186.431   9.7275  240.502   24.423   0.0000   0.0000  240.502   24.423  186.431   9.7275  186.431   9.7275 -0.000000 0.000000 
1 1 1  -42    0   25 o  184.757   9.7687  236.293   24.302   0.0000   0.0000  236.293   24.302  184.757   9.7687  184.757   9.7687 -0.000000 0.000000 
1 1 1  -42    0   26 o   96.289   12.387   67.121   15.428   0.0000   0.0000   67.121   15.428   96.289   12.387   96.289   12.387 -0.000000 0.000000 
1 1 1  -42    0   27 o  164.184   6.8573  186.837   15.116  184.450   20.804  189.508   22.000  163.145   9.4835  165.223   9.9073 -0.000000 0.000000 
1 1 1  -42    0   28 o   70.677   10.841   38.504   8.9977   30.699   11.916   48.857   13.724   60.587   16.780   80.768   13.730 -0.000000 0.000000 
1 1 1  -42    0   29 o  348.017   7.7680  835.908   36.507  894.709   52.825  782.146   50.511  359.827   10.856  336.208   11.114 -0.000000 0.000000 
1 1 1  -42    0   30 o  105.758   7.9429   80.159   10.943   88.481   15.239   71.301   15.724  112.074   10.230   99.443   12.153 -0.000000 0.000000 
1 1 1  -42    0   31 o   98.742   8.3297   70.727   10.499   81.519   14.728   59.578   14.970  107.408   10.338   90.077   13.063 -0.000000 0.000000 
1 1 1  -42    0   32 o  121.590   7.4247  103.392   11.980   93.445   16.269  115.175   17.707  115.044   10.645  128.137   10.353 -0.000000 0.000000 
1 1 1  -42    0   33 o   32.818   11.812   5.0431   7.9519  -5.7409   10.171   21.999   12.754   18.785   12.823   46.851   19.841 -0.000000 0.000000 
1 1 1  -42    0   34 o  116.898   10.514   96.372   16.346   96.372   16.346   0.0000   0.0000  116.898   10.514  116.898   10.514 -0.000000 0.000000 
1 1 1  -42    0   35 o  112.337   10.740   89.346   16.007   89.346   16.007   0.0000   0.0000  112.337   10.740  112.337   10.740 -0.000000 0.000000 
1 1 1  -42    0   36 o   54.220   12.115   26.148   8.9219   13.527   12.124   41.057   13.177   35.912   18.851   72.527   15.224 -0.000000 0.000000 
1 1 1  -42    0   37 o  298.622   7.4286  617.594   29.975  608.354   42.360  626.861   42.422  296.331   10.579  300.912   10.432 -0.000000 0.000000 
1 1 1  -42    0   38 o  173.611   7.0581  209.665   16.479  211.561   23.418  207.805   23.194  174.395   9.9841  172.827   9.9793 -0.000000 0.000000 
1 1 1  -42    0   39 o  135.237   7.5926  128.482   13.555  153.282   19.717  106.259   18.665  148.177   9.9215  122.296   11.496 -0.000000 0.000000 
1 1 1  -42    0   40 o   74.200   11.984   44.718   10.406   37.079   14.893   52.006   14.546   65.370   19.333   83.030   14.166 -0.000000 0.000000 
1 1 1  -42    0   42 o  110.780   12.518   88.611   18.173   88.611   18.173   0.0000   0.0000  110.780   12.518  110.780   12.518 -0.000000 0.000000 
1 1 1  -42    0   43 o   96.614   9.0776   68.270   11.068   80.974   16.076   56.822   15.261  106.220   11.511   87.008   14.039 -0.000000 0.000000 
1 1 1  -42    0   44 o  149.422   7.3424  156.584   14.698  161.301   21.089  152.128   20.495  151.643   10.374  147.200   10.394 -0.000000 0.000000 
1 1 1  -42    0   45 o  259.766   7.2604  469.424   25.457  464.875   36.407  473.775   35.609  258.419   10.435  261.112   10.098 -0.000000 0.000000 
1 1 1  -42    0   46 o  221.154   7.0950  340.015   21.139  351.084   30.808  330.167   29.059  224.486   10.175  217.823   9.8910 -0.000000 0.000000 
1 1 1  -42    0   47 o   81.044   14.083   49.961   14.068   0.0000   0.0000   49.961   14.068   81.044   14.083   81.044   14.083 -0.000000 0.000000 
1 1 1  -42    0   48 o   77.569   14.419   46.325   13.619   0.0000   0.0000   46.325   13.619   77.569   14.419   77.569   14.419 -0.000000 0.000000 
1 1 1  -42    0   49 o  151.128   7.2576  160.367   14.686  166.614   21.457  154.860   20.144  153.852   10.401  148.403   10.125 -0.000000 0.000000 
1 1 1  -42    0   50 o  135.344   7.5178  130.887   13.442  115.721   19.518  144.573   18.541  127.165   11.545  143.522   9.6325 -0.000000 0.000000 
1 1 1  -42    0   51 o  160.104   7.2261  180.266   15.500  181.581   22.673  179.112   21.237  160.475   10.530  159.732   9.8984 -0.000000 0.000000 
1 1 1  -42    0   52 o  211.183   7.0967  312.169   20.171  312.799   29.383  311.607   27.741  211.190   10.323  211.176   9.7409 -0.000000 0.000000 
1 1 1  -42    0   53 o  177.769   7.3065  222.791   17.410  217.524   25.437  227.433   23.880  175.470   10.791  180.068   9.8537 -0.000000 0.000000 
1 1 1  -42    0   54 o  189.712   10.645  253.880   27.170  253.880   27.170   0.0000   0.0000  189.712   10.645  189.712   10.645 -0.000000 0.000000 
1 1 1  -42    0   55 o   54.425   13.750   29.026   9.5345   24.024   14.228   33.102   12.845   47.284   21.004   61.567   17.750 -0.000000 0.000000 
1 1 1  -42    0   56 o  137.760   7.6148  134.475   13.968  146.102   20.817  124.951   18.839  143.166   10.874  132.355   10.663 -0.000000 0.000000 
1 1 1  -42    0   57 o  108.437   8.8062   87.758   12.110   76.205   18.165   97.001   16.247  100.514   14.140  116.360   10.500 -0.000000 0.000000 
1 1 1  -42    0   58 o   52.583   11.549   27.464   9.7496   6.0892   14.517   45.025   13.159   29.216   18.174   75.950   14.254 -0.000000 0.000000 
1 1 1  -42    0   59 o   69.756   12.609   41.151   10.132   42.466   16.023   40.275   13.079   69.097   19.743   70.414   15.688 -0.000000 0.000000 
1 1 1  -42    0   60 o  153.893   7.6242  169.709   15.604  161.846   23.104  176.304   21.159  150.009   11.522  157.776   9.9882 -0.000000 0.000000 
1 1 1  -42    0   61 o   94.369   9.9896   69.088   11.416   57.955   16.925   78.382   15.464   85.145   16.433  103.592   11.364 -0.000000 0.000000 
1 1 1  -42    0   62 o  122.116   8.1100  107.269   13.072  122.972   19.518   94.498   17.603  130.499   11.228  113.733   11.705 -0.000000 0.000000 
1 1 1  -42    0   63 o   64.997   13.418   37.106   10.367   49.083   16.089   28.602   13.557   76.510   17.849   53.484   20.041 -0.000000 0.000000 
1 1 1  -42    0   64 o   78.634   15.158   49.174   14.421   0.0000   0.0000   49.174   14.421   78.634   15.158   78.634   15.158 -0.000000 0.000000 
1 1 1  -42    0   65 o   33.753   18.234   12.842   11.626   0.0000   0.0000   12.842   11.626   33.753   18.234   33.753   18.234 -0.000000 0.000000 
1 1 1  -42    0   66 o   50.378   19.906   26.198   13.075   0.0000   0.0000   26.198   13.075   50.378   19.906   50.378   19.906 -0.000000 0.000000 
1 1 1  -42    0   67 o  130.808   10.663  123.485   18.612   0.0000   0.0000  123.485   18.612  130.808   10.663  130.808   10.663 -0.000000 0.000000 
1 1 1  -42    0   68 o   46.845   19.666   23.465   12.548   0.0000   0.0000   23.465   12.548   46.845   19.666   46.845   19.666 -0.000000 0.000000 
1 1 1  -42    1    1 o  261.945   4.8460  473.034   17.200  475.778   24.530  470.379   24.125  262.667   6.8913  261.223   6.8151 1.444458 9.692085 
1 1 1  -42    1    2 o  143.301   4.7337  141.521   9.1847  137.282   13.123  145.592   12.859  141.137   6.8612  145.464   6.5235 -4.326279 9.467437 
1 1 1  -42    1    3 o  145.329   4.7073  145.183   9.2638  149.774   13.420  141.004   12.804  147.502   6.7137  143.156   6.6001 4.345917 9.414611 
1 1 1  -42    1    4 o  144.394   4.7474  143.608   9.2802  138.347   13.240  148.690   13.012  141.731   6.8934  147.056   6.5293 -5.324982 9.494711 
1 1 1  -42    1    5 o  163.663   4.6659  184.278   10.342  179.158   14.745  189.235   14.508  161.371   6.7427  165.954   6.4513 -4.582718 9.331825 
1 1 1  -42    1    6 o   64.848   6.7020   29.489   5.8518   26.068   8.3482   32.794   8.2050   61.005   10.098   68.692   8.8144 -7.686707 13.40402 
1 1 1  -42    1    7 o   69.522   6.4249   33.558   6.0205   38.501   8.7269   29.069   8.3165   74.483   8.6460   64.560   9.5060 9.923401 12.84978 
1 1 1  -42    1    8 o   80.363   5.9400   44.698   6.3899   54.414   9.2938   35.987   8.7999   88.775   7.7254   71.951   9.0252 16.82412 11.88004 
1 1 1  -42    1    9 o  174.458   4.6955  209.132   11.097  204.038   15.755  214.148   15.633  172.310   6.7472  176.605   6.5321 -4.294815 9.391064 
1 1 1  -42    1   10 o  172.493   5.7557  202.464   12.718  195.990   15.517  215.714   22.200  168.886   6.7800  176.101   9.3028 -7.214630 11.51133 
1 1 1  -42    1   11 o  189.889   5.8806  252.112   14.311  258.141   17.717  240.794   24.276  193.857   6.7443  185.921   9.6354 7.936478 11.76119 
1 1 1  -42    1   12 o  278.964   6.2149  539.771   22.194  540.495   27.280  538.355   38.168  280.285   7.1824  277.642   10.145 2.643005 12.42978 
1 1 1  -42    1   13 o  161.909   4.8907  179.785   10.715  166.941   14.832  193.808   15.498  155.836   7.0234  167.981   6.8080 -12.14511 9.781487 
1 1 1  -42    1   14 o   83.183   6.1505   47.919   6.9267   45.301   9.7321   50.606   9.8610   80.842   8.8836   85.523   8.5085 -4.681885 12.30090 
1 1 1  -42    1   15 o  242.676   4.9174  404.217   16.163  418.608   23.292  390.849   22.449  246.834   6.9634  238.518   6.9452 8.315781 9.834826 
1 1 1  -42    1   16 o  127.397   5.1528  111.606   8.8931  113.118   12.761  110.178   12.400  128.221   7.3442  126.573   7.2295 1.647644 10.30551 
1 1 1  -42    1   17 o  107.986   5.5162   80.356   8.0706   81.560   11.552   79.208   11.280  108.767   7.8376  107.204   7.7644 1.562767 11.03240 
1 1 1  -42    1   18 o  190.712   4.8879  249.708   12.615  232.667   17.658  267.474   18.030  184.005   7.0814  197.419   6.7393 -13.41434 9.775711 
1 1 1  -42    1   19 o  143.926   5.9896  136.512   11.049  163.911   19.718  123.970   13.340  153.602   9.4727  134.249   7.3328 19.35338 11.97924 
1 1 1  -42    1   20 o   87.705   7.5347   54.441   8.4436   51.684   14.366   55.897   10.437   85.507   12.398   89.903   8.5665 -4.395973 15.06948 
1 1 1  -42    1   21 o  179.464   6.0001  223.268   13.846  220.600   23.547  224.678   17.118  178.068   9.7582  180.860   6.9846 -2.792542 12.00029 
1 1 1  -42    1   22 o   99.728   6.1889   63.311   7.4768   57.256   8.6267   81.592   14.989   91.302   6.9723  108.155   10.227 -16.85204 12.37772 
1 1 1  -42    1   23 o  141.571   5.7367  141.904   9.5848  145.950   11.198  130.814   18.538  146.108   5.6555  137.034   9.9827 9.074219 11.47345 
1 1 1  -42    1   24 o  191.623   5.5086  253.439   12.516  253.849   14.550  252.274   24.541  192.713   5.5715  190.534   9.5047 2.178604 11.01728 
1 1 1  -42    1   25 o  111.953   5.1089   86.186   7.7506   86.135   10.992   86.237   10.930  111.915   7.2478  111.991   7.2022 -0.7625580E-01 10.21775 
1 1 1  -42    1   26 o  127.590   4.9114  111.778   8.4897  115.217   12.143  108.490   11.874  129.516   6.9185  125.664   6.9729 3.851639 9.822750 
1 1 1  -42    1   27 o  247.932   4.8685  422.180   16.355  412.330   23.028  432.204   23.232  244.989   6.9363  250.874   6.8336 -5.885193 9.737075 
1 1 1  -42    1   28 o   84.061   7.7074   49.725   7.9878   49.043   14.642   50.015   9.5310   83.050   13.010   85.071   8.2674 -2.021072 15.41481 
1 1 1  -42    1   29 o  169.309   6.0200  191.694   12.742  215.903   23.577  181.706   15.145  175.987   9.8862  162.631   6.8719 13.35568 12.03994 
1 1 1  -42    1   30 o  274.598   6.2176  529.146   21.845  502.157   37.102  543.468   27.027  268.091   10.212  281.106   7.0949 -13.01511 12.43512 
1 1 1  -42    1   31 o  198.387   5.8180  270.923   14.763  275.852   25.573  268.459   18.079  199.082   9.4791  197.692   6.7485 1.390198 11.63598 
1 1 1  -42    1   32 o  186.396   4.8348  238.789   12.205  238.998   17.563  238.594   16.974  186.430   6.9520  186.362   6.7210 0.6857300E-01 9.669603 
1 1 1  -42    1   33 o  190.317   4.8075  248.586   12.384  266.139   17.868  232.360   17.180  196.812   6.6995  183.822   6.8967 12.98970 9.614943 
1 1 1  -42    1   34 o   76.983   6.3514   41.275   6.6096   38.526   9.4300   43.929   9.2668   74.376   9.3562   79.590   8.5919 -5.213608 12.70272 
1 1 1  -42    1   35 o   74.259   6.6426   38.373   6.6614   42.906   9.6216   34.199   9.2319   78.542   9.0399   69.977   9.7353 8.564674 13.28520 
1 1 1  -42    1   36 o   79.574   12.660   45.181   13.651   45.181   13.651   0.0000   0.0000   79.574   12.660  ?   ?       ?      ? 
1 1 1  -42    1   37 o  175.881   6.1178  216.014   13.726  218.318   16.856  211.480   23.648  178.037   6.9866  173.726   10.045 4.311050 12.23563 
1 1 1  -42    1   38 o  148.115   5.0578  151.286   10.151  149.835   14.369  152.731   14.343  147.391   7.1940  148.839   7.1113 -1.447235 10.11550 
1 1 1  -42    1   39 o  151.764   5.0018  158.857   10.277  150.262   14.461  167.629   14.609  147.555   7.2319  155.972   6.9116 -8.417023 10.00356 
1 1 1  -42    1   40 o  150.754   5.0934  156.617   10.396  165.866   15.050  148.178   14.376  155.018   7.1645  146.490   7.2417 8.527649 10.18688 
1 1 1  -42    1   41 o  276.067   5.1378  526.609   19.220  524.319   27.295  528.861   27.067  275.437   7.3128  276.696   7.2187 -1.259705 10.27551 
1 1 1  -42    1   42 o  228.230   4.9579  359.667   15.331  355.326   21.794  363.920   21.571  226.819   7.0904  229.642   6.9317 -2.822754 9.915791 
1 1 1  -42    1   43 o  161.008   4.9972  178.983   10.898  183.657   15.704  174.641   15.137  163.015   7.1087  159.000   7.0252 4.015350 9.994377 
1 1 1  -42    1   44 o  201.320   4.9665  279.827   13.541  293.520   19.496  267.066   18.821  206.097   6.9806  196.543   7.0664 9.553970 9.932911 
1 1 1  -42    1   45 o  210.519   6.0322  310.458   16.388  312.868   20.362  306.027   27.613  212.664   7.0655  208.374   9.7790 4.289490 12.06440 
1 1 1  -42    1   46 o  120.622   7.9911  104.488   12.979  109.217   17.683   98.965   19.111  124.015   10.522  117.228   12.030 6.786865 15.98212 
1 1 1  -42    1   47 o  159.420   7.2056  180.681   15.519  192.994   21.717  167.832   22.185  165.322   9.6937  153.517   10.664 11.80447 14.41126 
1 1 1  -42    1   48 o  204.650   5.0009  290.362   13.869  288.913   19.605  291.813   19.622  204.129   7.0874  205.171   7.0573 -1.041702 10.00181 
1 1 1  -42    1   49 f   44.881   9.5434   15.700   7.1038   2.7685   11.990   22.694   8.8182   34.748   14.718   55.013   12.153 -20.26530 19.08676 
1 1 1  -42    1   50 o  128.378   5.3753  114.858   9.3456  120.349   13.319  109.532   13.117  131.459   7.4765  125.298   7.7251 6.160919 10.75056 
1 1 1  -42    1   51 o   64.954   7.8033   30.735   6.6842   26.841   9.2790   34.935   9.6368   59.942   11.843   69.966   10.164 -10.02362 15.60660 
1 1 1  -42    1   52 o   86.233   7.9347   53.588   8.6152   54.219   15.267   53.293   10.436   85.583   13.164   86.884   8.8633 -1.300644 15.86942 
1 1 1  -42    1   53 o  115.945   6.9429   95.623   10.069   96.700   18.081   95.139   12.123  115.274   11.574  116.615   7.6712 -1.341240 13.88577 
1 1 1  -42    1   54 o  129.215   5.2111  116.665   9.1206  112.505   12.884  120.844   12.913  126.838   7.4956  131.591   7.2415 -4.752953 10.42223 
1 1 1  -42    1   55 o   89.343   8.0001   59.455   8.9295   62.004   10.906   54.271   15.554   93.642   8.5943   85.044   13.496 8.598106 16.00017 
1 1 1  -42    1   56 o   75.450   9.2464   43.816   8.3423   45.015   10.011   41.092   15.091   79.444   9.2988   71.457   15.985 7.987045 18.49279 
1 1 1  -42    1   57 o  147.822   5.1885  152.832   10.379  142.006   14.406  164.517   14.966  142.298   7.4707  153.346   7.2022 -11.04741 10.37708 
1 1 1  -42    1   58 o   40.227   9.1817   11.465   6.1772   18.227   8.6942   4.5728   8.7781   48.416   12.984   32.037   12.986 16.37927 18.36348 
1 1 1  -42    1   59 o  103.119   5.9246   75.374   8.2602   82.214   11.838   68.883   11.532  107.826   8.1013   98.412   8.6471 9.414207 11.84922 
1 1 1  -42    1   60 o   52.726   9.3259   21.797   6.6524   23.166   9.4739   20.466   9.3433   54.455   13.015   50.998   13.360 3.457005 18.65170 
1 1 1  -42    1   61 f  125.758   6.5038  113.404   10.696  113.119   13.494  113.885   17.544  126.488   7.8725  125.028   10.355 1.460014 13.00753 
1 1 1  -42    1   62 o   72.216   8.7834   39.068   8.0908   37.347   10.128   42.103   13.451   71.482   10.456   72.950   14.116 -1.468002 17.56679 
1 1 1  -42    1   63 o  124.709   6.6531  112.622   10.774  113.655   13.517  110.821   17.844  126.643   7.8761  122.775   10.725 3.867455 13.30620 
1 1 1  -42    1   64 o   46.831   10.462   17.922   7.4545   19.722   9.4744   14.998   12.078   49.640   13.656   44.023   15.853 5.616772 20.92382 
1 1 1  -42    1   65 o   95.271   8.4201   68.290   10.870   67.723   15.269   68.872   15.478   94.897   11.873   95.644   11.942 -0.7466888 16.84013 
1 1 1  -42    1   66 o  102.058   8.1692   78.108   11.295   78.607   16.178   77.632   15.777  102.274   11.673  101.843   11.432 0.4310837 16.33847 
1 1 1  -42    1   67 o   78.700   9.5591   48.685   9.9805   50.812   14.206   46.613   14.025   81.187   12.912   76.212   14.099 4.975250 19.11829 
1 1 1  -42    1   68 o  125.560   10.761  117.403   18.310   0.0000   0.0000  117.403   18.310  ?   ?   125.560   10.761      ?      ? 
1 1 1  -42    1   69 o  138.727   10.477  143.124   19.696   0.0000   0.0000  143.124   19.696  ?   ?   138.727   10.477      ?      ? 
1 1 1  -42    2    1 o   68.029   6.1286   32.179   5.6401   33.690   8.2787   30.870   7.7047   69.488   8.7916   66.570   8.5408 2.918480 12.25716 
1 1 1  -42    2    2 o   68.975   6.2479   33.543   5.7698   28.982   8.3916   37.633   7.9461   64.293   9.6316   73.657   7.9609 -9.363602 12.49575 
1 1 1  -42    2    3 o  111.951   4.9801   86.577   7.5386   84.413   10.947   88.528   10.397  110.543   7.3076  113.360   6.7679 -2.816803 9.960195 
1 1 1  -42    2    4 o  228.482   5.7369  353.273   16.814  335.905   20.471  389.286   29.478  220.818   6.8410  236.146   9.2114 -15.32790 11.47386 
1 1 1  -42    2    5 o  150.805   5.8595  159.536   11.285  163.329   13.923  152.273   19.268  154.068   6.6684  147.542   9.6369 6.526688 11.71908 
1 1 1  -42    2    6 o  190.514   5.7876  252.674   14.129  255.141   17.424  247.936   24.146  192.591   6.6761  188.437   9.4559 4.153687 11.57511 
1 1 1  -42    2    7 f  130.067   6.1066  119.641   10.177  124.711   12.666  110.407   17.092  134.586   6.9448  125.548   10.046 9.038170 12.21313 
1 1 1  -42    2    8 o  174.941   4.7171  210.331   11.177  212.191   16.107  208.604   15.521  175.650   6.7670  174.232   6.5736 1.418015 9.434209 
1 1 1  -42    2    9 o  286.988   5.0576  567.172   19.665  571.263   28.163  563.281   27.470  287.956   7.2172  286.021   7.0874 1.934662 10.11527 
1 1 1  -42    2   10 o  216.503   4.7647  322.188   13.975  321.623   20.009  322.726   19.526  216.277   6.8272  216.729   6.6482 -0.4523010 9.529394 
1 1 1  -42    2   11 o  127.439   5.0591  111.918   8.7238  109.291   12.596  114.339   12.094  125.936   7.3808  128.942   6.9212 -3.005371 10.11828 
1 1 1  -42    2   12 o  100.867   6.6793   68.925   8.5579   76.364   15.311   65.545   10.321  104.292   10.833   97.441   7.8159 6.850433 13.35863 
1 1 1  -42    2   13 o   90.267   7.0479   54.262   8.1133   64.717   14.607   49.597   9.7569   95.905   11.239   84.629   8.5077 11.27582 14.09583 
1 1 1  -42    2   14 o  144.407   6.0436  144.155   11.023  145.083   19.502  143.719   13.362  144.183   9.9811  144.632   6.8173 -0.4488983 12.08710 
1 1 1  -42    2   15 o  175.766   5.9050  211.830   13.144  218.934   23.295  208.512   15.920  177.286   9.6964  174.247   6.7421 3.039047 11.81001 
1 1 1  -42    2   16 o   91.907   7.4600   58.985   8.7950   58.705   10.822   59.528   15.093   92.062   8.6746   91.752   12.139 0.3097763 14.91998 
1 1 1  -42    2   17 o  124.540   6.5943  107.289   10.499  106.299   12.853  109.272   18.197  124.192   7.6373  124.887   10.752 -0.6950150 13.18867 
1 1 1  -42    2   18 f  250.980   5.0052  432.990   17.019  436.166   24.378  429.970   23.770  251.844   7.1431  250.115   7.0132 1.728821 10.01044 
1 1 1  -42    2   19 o  117.291   5.4605   94.425   8.6569  104.231   12.685   85.876   11.844  122.995   7.6107  111.587   7.8323 11.40825 10.92098 
1 1 1  -42    2   20 o  278.913   5.7839  538.976   19.096  540.781   22.195  533.832   37.472  281.126   5.8260  276.699   9.9936 4.426788 11.56776 
1 1 1  -42    2   21 o  123.366   5.8339  103.747   8.4615  102.330   9.7582  108.041   16.987  122.278   5.8890  124.454   10.073 -2.175827 11.66771 
1 1 1  -42    2   22 o  277.782   5.7789  530.078   18.998  527.011   22.026  538.988   37.544  277.509   5.8569  278.055   9.9639 -0.5460205 11.55782 
1 1 1  -42    2   23 o  132.275   5.6064  117.082   8.9191  113.002   10.362  128.753   17.523  128.480   5.9514  136.069   9.5030 -7.589401 11.21272 
1 1 1  -42    2   24 o  255.174   5.6833  452.421   17.291  455.772   20.195  443.219   33.468  258.101   5.7740  252.247   9.7909 5.853912 11.36661 
1 1 1  -42    2   25 o  125.461   5.8620  108.458   8.7867  108.067   10.246  109.545   17.084  125.623   6.0185  125.300   10.061 0.3232269 11.72406 
1 1 1  -42    2   26 o   82.675   8.0524   50.760   8.1056   55.398   10.070   42.228   13.660   89.513   8.3017   75.837   13.800 13.67547 16.10473 
1 1 1  -42    2   27 o  179.873   5.6777  223.904   13.101  221.936   22.409  224.926   16.148  178.714   9.2529  181.032   6.5825 -2.317245 11.35539 
1 1 1  -42    2   28 o  153.976   4.8488  161.963   10.087  179.275   14.905  147.338   13.700  161.537   6.8091  146.415   6.9049 15.12206 9.697501 
1 1 1  -42    2   29 o   96.127   5.4823   63.816   7.1343   61.493   10.181   66.056   9.9999   94.359   7.9623   97.894   7.5380 -3.534378 10.96451 
1 1 1  -42    2   30 o  105.256   5.3946   76.478   7.6877   74.053   10.982   78.808   10.766  103.570   7.8243  106.941   7.4287 -3.371552 10.78918 
1 1 1  -42    2   31 o  141.907   9.9095  140.635   19.056   0.0000   0.0000  140.635   19.056  ?   ?   141.907   9.9095      ?      ? 
1 1 1  -42    2   32 o  229.447   6.3052  367.901   17.997  359.917   32.465  371.443   21.624  226.490   10.577  232.404   6.8660 -5.914993 12.61047 
1 1 1  -42    2   33 o  309.173   5.2598  658.763   22.029  677.073   31.686  641.635   30.647  313.311   7.4630  305.036   7.4140 8.274323 10.51964 
1 1 1  -42    2   34 o  188.361   4.8616  244.240   12.403  239.293   17.698  249.014   17.389  186.432   7.0051  190.291   6.7432 -3.859833 9.723245 
1 1 1  -42    2   35 o  129.661   5.1277  115.949   9.0066  114.497   12.857  117.348   12.621  128.829   7.3645  130.494   7.1369 -1.665039 10.25530 
1 1 1  -42    2   36 o  202.522   4.8507  282.441   13.309  277.522   18.922  287.258   18.723  200.731   6.9560  204.312   6.7624 -3.581955 9.701402 
1 1 1  -42    2   37 o  161.611   4.8813  179.583   10.680  189.478   15.479  170.591   14.756  165.859   6.8869  157.363   6.9195 8.495438 9.762643 
1 1 1  -42    2   38 o  230.882   4.9399  367.480   15.456  368.158   21.904  366.807   21.812  231.090   6.9944  230.675   6.9778 0.4147491 9.879891 
1 1 1  -42    2   39 o  131.667   6.3099  123.076   10.672  128.471   13.330  113.441   17.814  136.406   7.2110  126.927   10.357 9.479851 12.61978 
1 1 1  -42    2   40 o   79.567   6.3556   44.160   6.8391   44.744   10.019   43.652   9.3585   79.991   9.2428   79.142   8.7260 0.8484802 12.71115 
1 1 1  -42    2   41 o   75.182   6.7065   39.899   6.7768   36.599   9.9515   42.753   9.2542   72.068   10.190   78.295   8.7221 -6.226601 13.41291 
1 1 1  -42    2   42 o   86.479   7.2881   53.450   8.2635   55.709   10.591   49.933   13.212   89.332   8.7484   83.626   11.659 5.706100 14.57618 
1 1 1  -42    2   43 o   37.398   9.5554   8.5716   6.6052   13.187   8.5278   1.6511   10.443   42.508   13.315   32.287   13.709 10.22055 19.11074 
1 1 1  -42    2   44 o  191.152   4.9090  252.533   12.712  254.508   18.229  250.663   17.736  191.841   7.0121  190.463   6.8718 1.378372 9.817917 
1 1 1  -42    2   45 o   93.434   6.0103   61.124   7.5843   59.173   11.076   62.847   10.407   91.892   8.8945   94.975   8.0859 -3.083160 12.02057 
1 1 1  -42    2   46 o  139.086   5.1490  134.235   9.6986  132.185   13.897  136.182   13.542  137.983   7.4320  140.189   7.1284 -2.205688 10.29795 
1 1 1  -42    2   47 o  125.743   5.2836  109.797   8.9980  112.569   12.997  107.245   12.470  127.238   7.5376  124.247   7.4061 2.990555 10.56722 
1 1 1  -42    2   48 o  120.014   5.4109  100.607   8.7662   91.357   12.461  109.669   12.335  114.368   8.0403  125.661   7.2433 -11.29375 10.82182 
1 1 1  -42    2   49 o   87.454   6.2675   53.894   7.4166   51.010   10.544   56.718   10.434   85.028   9.1507   89.880   8.5667 -4.851799 12.53491 
1 1 1  -42    2   50 o   79.086   9.2557   44.234   9.9196   0.0000   0.0000   44.234   9.9196  ?   ?    79.086   9.2557      ?      ? 
1 1 1  -42    2   51 o  135.609   7.2510  128.066   13.325   0.0000   0.0000  128.066   13.325  ?   ?   135.609   7.2510      ?      ? 
1 1 1  -42    2   52 o  147.566   7.4504  156.460   14.896  152.679   20.889  160.371   21.248  145.719   10.579  149.413   10.494 -3.693939 14.90089 
1 1 1  -42    2   53 o  182.285   7.2388  238.542   17.862  240.217   24.757  236.725   25.796  183.213   9.9714  181.356   10.496 1.856903 14.47758 
1 1 1  -42    2   54 o  234.237   5.0991  382.987   16.183  386.023   23.129  380.076   22.651  235.100   7.2596  233.374   7.1624 1.725372 10.19815 
1 1 1  -42    2   55 o  181.203   5.0722  229.014   12.445  240.619   17.999  218.384   17.226  185.607   7.1562  176.799   7.1901 8.808640 10.14434 
1 1 1  -42    2   56 o  229.867   5.1521  369.475   16.037  350.050   22.347  390.099   23.026  223.552   7.3767  236.182   7.1944 -12.63028 10.30410 
1 1 1  -42    2   57 o  125.027   7.0073  113.021   11.036  113.971   13.420  111.035   19.396  127.257   7.7820  122.798   11.656 4.459244 14.01470 
1 1 1  -42    2   58 o   76.019   6.9542   41.639   7.1592   43.614   10.193   39.716   10.058   77.879   9.6582   74.159   10.008 3.720253 13.90840 
1 1 1  -42    2   59 o  118.927   5.6189  100.242   8.9879   86.211   12.650  114.547   12.773  110.160   8.4738  127.694   7.3811 -17.53381 11.23772 
1 1 1  -42    2   60 o   97.148   6.0497   67.273   7.9513   65.252   11.456   69.152   11.045   95.577   8.8449   98.719   8.2562 -3.141968 12.09945 
1 1 1  -42    2   61 o   91.351   7.4839   62.037   8.9187   65.561   11.432   56.556   14.257   95.757   8.8097   86.944   12.101 8.813751 14.96776 
1 1 1  -42    2   62 o  130.966   6.3979  119.545   10.954  110.081   13.585  137.130   18.519  124.548   8.0490  137.383   9.9472 -12.83486 12.79584 
1 1 1  -42    2   63 o   74.814   8.3619   39.684   8.0197   29.346   10.080   57.511   13.237   61.465   12.527   88.163   11.080 -26.69790 16.72388 
1 1 1  -42    2   64 o   57.204   10.031   26.934   7.6579   28.845   9.7414   23.843   12.390   61.046   12.202   53.363   15.924 7.683178 20.06150 
1 1 1  -42    2   65 o   85.895   7.5856   51.975   8.5781   44.175   10.691   66.074   14.373   77.643   10.161   94.147   11.266 -16.50410 15.17120 
1 1 1  -42    2   66 o   64.134   10.385   33.540   9.2859   46.311   13.369   21.634   12.908   77.743   12.690   50.525   16.443 27.21841 20.76987 
1 1 1  -42    2   67 o  100.586   11.591   76.284   15.799   0.0000   0.0000   76.284   15.799  ?   ?   100.586   11.591      ?      ? 
1 1 1  -42    2   68 o  122.677   10.588  111.923   17.602   0.0000   0.0000  111.923   17.602  ?   ?   122.677   10.588      ?      ? 
1 1 1  -42    2   69 o   99.542   11.522   75.208   15.543   0.0000   0.0000   75.208   15.543  ?   ?    99.542   11.522      ?      ? 
1 1 1  -42    2   70 o   79.278   13.208   49.602   14.190   0.0000   0.0000   49.602   14.190  ?   ?    79.278   13.208      ?      ? 
1 1 1  -42    3    1 o   56.845   8.7911   28.751   6.4008   11.071   12.151   35.541   7.5304   42.130   15.774   71.559   7.7655 -29.42920 17.58220 
1 1 1  -42    3    2 o   79.745   7.8114   47.403   7.2078   41.635   13.395   49.754   8.5514   74.718   13.735   84.772   7.4440 -10.05408 15.62277 
1 1 1  -42    3    3 o  208.071   5.8529  301.977   15.201  298.545   27.331  303.513   18.291  206.153   9.7833  209.988   6.4276 -3.834671 11.70588 
1 1 1  -42    3    4 o  195.833   5.7827  263.901   14.149  272.814   25.690  260.020   16.952  197.272   9.6099  194.393   6.4350 2.878311 11.56541 
1 1 1  -42    3    5 o  191.687   4.7123  253.723   12.198  242.400   17.754  263.847   16.788  187.472   6.9882  195.902   6.3237 -8.430176 9.424689 
1 1 1  -42    3    6 f  118.194   4.9198   95.941   7.8559  100.726   11.671   91.976   10.623  120.829   7.1275  115.559   6.7835 5.269913 9.839603 
1 1 1  -42    3    7 o   92.157   5.4585   58.158   6.7819   65.323   10.225   52.531   9.0620   97.162   7.7658   87.153   7.6729 10.00964 10.91702 
1 1 1  -42    3    8 o  117.131   5.0466   95.208   7.9516   87.717   11.663  101.714   10.869  112.650   7.6403  121.612   6.5953 -8.962181 10.09317 
1 1 1  -42    3    9 f  104.928   5.2289   76.125   7.4051   74.225   10.891   77.759   10.099  103.612   7.7565  106.244   7.0143 -2.631317 10.45776 
1 1 1  -42    3   10 o  126.681   5.0123  111.242   8.5462   98.816   12.274  122.935   11.906  119.624   7.5718  133.738   6.5696 -14.11367 10.02458 
1 1 1  -42    3   11 o   39.848   9.5161   7.8628   6.4486   1.2480   8.1052   19.272   10.645   28.837   12.151   50.860   14.648 -22.02316 19.03222 
1 1 1  -42    3   12 o  116.963   6.1699   94.612   9.4929   93.440   12.031   96.547   15.452  116.339   7.6311  117.588   9.6973 -1.249672 12.33979 
1 1 1  -42    3   13 o  110.235   5.3240   83.930   7.9385   81.983   11.499   85.703   10.973  108.943   7.7886  111.527   7.2606 -2.583488 10.64795 
1 1 1  -42    3   14 o  131.298   5.0145  118.523   8.9127  121.783   12.966  115.603   12.272  132.977   7.1953  129.619   6.9863 3.357803 10.02900 
1 1 1  -42    3   15 o  194.284   4.8246  258.939   12.686  270.572   18.524  248.665   17.409  198.356   6.8914  190.212   6.7539 8.144089 9.649183 
1 1 1  -42    3   16 o  205.158   4.8362  289.109   13.436  295.560   19.438  283.205   18.594  207.314   6.9189  203.003   6.7591 4.311188 9.672463 
1 1 1  -42    3   17 o  161.550   4.8990  179.290   10.715  183.463   15.547  175.514   14.789  163.306   7.0253  159.795   6.8297 3.511063 9.797925 
1 1 1  -42    3   18 o  237.517   4.9597  387.629   15.948  396.911   23.177  379.283   21.978  240.160   7.1215  234.874   6.9050 5.285339 9.919416 
1 1 1  -42    3   19 o  104.751   6.0930   77.226   7.6038   78.621   8.9048   73.468   14.610  107.102   6.1355  102.400   10.529 4.701584 12.18606 
1 1 1  -42    3   20 o   99.432   7.5379   68.156   10.157   68.156   10.157   0.0000   0.0000   99.432   7.5379  ?   ?       ?      ? 
1 1 1  -42    3   22 o  105.670   6.3677   76.718   8.6142   75.061   10.530   80.069   14.978  104.369   7.4452  106.970   10.332 -2.601112 12.73530 
1 1 1  -42    3   23 o  116.698   5.8913   92.741   8.2016   91.099   9.5232   97.458   16.138  115.296   6.0952  118.101   10.084 -2.804550 11.78257 
1 1 1  -42    3   24 o  247.851   5.6609  430.965   16.745  438.695   19.624  410.265   32.112  253.178   5.7197  242.524   9.7707 10.65337 11.32177 
1 1 1  -42    3   25 f  167.606   5.4777  191.110   11.016  187.960   12.834  199.924   21.468  165.718   5.7148  169.494   9.3468 -3.775894 10.95544 
1 1 1  -42    3   26 o  208.541   6.5485  302.562   18.500  302.899   25.842  302.208   26.496  208.733   9.1358  208.349   9.3845 0.3839722 13.09706 
1 1 1  -42    3   27 o  194.878   5.8423  262.306   14.880  260.793   18.707  264.913   24.552  194.654   7.0920  195.103   9.2862 -0.4489441 11.68457 
1 1 1  -42    3   28 o  128.653   5.6003  111.052   8.8226  106.809   10.358  122.265   16.838  124.812   6.1242  132.493   9.3781 -7.681198 11.20063 
1 1 1  -42    3   29 o  111.037   5.1702   84.867   7.7744   89.061   11.207   80.977   10.794  113.688   7.2744  108.386   7.3489 5.301468 10.34036 
1 1 1  -42    3   30 o  114.980   5.1435   90.869   7.9983   99.295   11.621   83.285   11.025  120.066   7.1421  109.895   7.4035 10.17150 10.28696 
1 1 1  -42    3   31 o   48.223   8.6722   17.062   5.6865   19.159   8.2912   15.199   7.8138   50.984   12.169   45.462   12.359 5.521782 17.34444 
1 1 1  -42    3   32 o  130.075   4.9530  116.499   8.7263  117.161   12.553  115.881   12.139  130.402   7.1037  129.747   6.9039 0.6545563 9.905902 
1 1 1  -42    3   33 o  103.369   6.7298   74.306   8.6329   75.418   15.777   73.831   10.314  103.299   11.270  103.440   7.3580 -0.1414032 13.45969 
1 1 1  -42    3   34 o  129.088   6.2989  116.086   10.150  115.747   18.285  116.237   12.203  128.272   10.519  129.903   6.9322 -1.630936 12.59785 
1 1 1  -42    3   35 o   97.770   5.6347   65.972   7.4450   69.429   11.034   63.082   10.088  100.068   8.1366   95.473   7.7969 4.595085 11.26930 
1 1 1  -42    3   36 o  132.718   5.0426  121.110   9.0508  128.127   13.328  115.104   12.330  136.244   7.2186  129.192   7.0429 7.052124 10.08514 
1 1 1  -42    3   37 o  204.321   4.8522  286.809   13.412  305.848   19.651  270.206   18.352  210.636   6.8845  198.005   6.8394 12.63136 9.704312 
1 1 1  -42    3   38 o  218.147   4.9346  328.383   14.582  317.352   20.584  339.496   20.660  214.409   7.0845  221.885   6.8711 -7.476059 9.869269 
1 1 1  -42    3   39 o  202.806   5.9014  285.738   15.483  284.789   19.231  287.485   26.103  203.119   6.9867  202.492   9.5127 0.6264343 11.80276 
1 1 1  -42    3   40 o   90.179   8.6976   56.744   10.629   56.744   10.629   0.0000   0.0000   90.179   8.6976  ?   ?       ?      ? 
1 1 1  -42    3   41 o   63.753   9.3781   31.049   7.6820   33.952   9.6742   26.094   12.638   69.318   10.299   58.188   15.676 11.13001 18.75627 
1 1 1  -42    3   42 o  128.775   5.2017  115.158   9.0543  108.784   13.013  121.140   12.606  125.189   7.6706  132.360   7.0281 -7.171570 10.40344 
1 1 1  -42    3   43 o  109.937   5.4466   83.779   8.1006   87.091   11.880   80.901   11.074  111.916   7.8333  107.957   7.5697 3.959450 10.89320 
1 1 1  -42    3   44 o   98.616   5.7874   67.668   7.7196   70.486   11.343   65.237   10.536  100.472   8.3314   96.759   8.0350 3.712700 11.57471 
1 1 1  -42    3   45 o  113.142   5.4109   88.785   8.2842   95.038   12.078   83.232   11.384  116.903   7.6243  109.381   7.6800 7.522224 10.82187 
1 1 1  -42    3   46 o  104.297   5.6317   75.961   7.9504   73.979   11.422   77.824   11.073  102.889   8.1917  105.705   7.7305 -2.815887 11.26337 
1 1 1  -42    3   47 o  118.750   6.8635  102.841   10.071   91.985   17.855  107.907   12.196  112.863   11.674  124.638   7.2207 -11.77569 13.72696 
1 1 1  -42    3   48 o  237.469   6.2983  402.490   18.851  381.652   32.870  412.703   23.012  231.070   10.497  243.868   6.9632 -12.79855 12.59663 
1 1 1  -42    3   49 o   83.686   6.3950   49.175   7.2270   52.793   10.785   46.227   9.7363   86.400   9.2115   80.972   8.8731 5.428261 12.79001 
1 1 1  -42    3   50 f  235.102   5.0176  384.766   15.973  377.845   22.907  391.317   22.285  232.901   7.2581  237.303   6.9300 -4.402069 10.03515 
1 1 1  -42    3   51 o  143.663   6.1969  142.882   11.274  153.994   20.137  137.808   13.607  146.671   10.131  140.656   7.1385 6.015930 12.39372 
1 1 1  -42    3   52 o  116.507   6.7173   98.454   9.8339   91.433   17.108  101.918   12.018  112.202   11.252  120.811   7.3406 -8.608101 13.43451 
1 1 1  -42    3   53 f  107.572   5.7130   81.883   8.2721   73.386   11.915   89.789   11.494  101.873   8.6306  113.271   7.4879 -11.39838 11.42608 
1 1 1  -42    3   54 o  107.327   5.6304   80.860   8.1717   83.665   12.027   78.454   11.137  108.961   8.1452  105.694   7.7758 3.266914 11.26088 
1 1 1  -42    3   55 o   74.150   7.6240   41.899   7.0647   28.587   10.279   53.817   9.7259   60.994   12.842   87.307   8.2205 -26.31376 15.24791 
1 1 1  -42    3   56 o   78.700   6.6777   44.268   7.1033   45.584   10.484   43.151   9.6581   79.657   9.7122   77.743   9.1674 1.913918 13.35539 
1 1 1  -42    3   57 o   37.841   9.4439   9.6746   6.3507   4.3566   9.1931   14.529   8.7833   32.277   13.211   43.406   13.499 -11.12871 18.88788 
1 1 1  -42    3   58 o   85.814   9.2577   55.461   10.743   52.481   14.627   58.950   15.831   83.425   12.938   88.203   13.245 -4.778061 18.51535 
1 1 1  -42    3   59 f   55.688   16.122   25.652   12.865   25.652   12.865   0.0000   0.0000   55.688   16.122  ?   ?       ?      ? 
1 1 1  -42    3   60 o   67.724   9.4955   36.252   8.1963   38.289   10.322   32.776   13.485   72.380   10.523   63.068   15.809 9.312023 18.99095 
1 1 1  -42    3   61 o   99.292   7.1509   70.852   9.2830   68.284   11.617   75.389   15.441   97.685   8.7755  100.898   11.293 -3.212631 14.30187 
1 1 1  -42    3   62 o   55.023   10.192   23.229   7.5571   18.416   9.5262   31.400   12.413   47.982   13.868   62.064   14.939 -14.08149 20.38363 
1 1 1  -42    3   63 o  178.732   6.1039  228.113   14.165  226.424   17.679  231.140   23.673  179.204   7.2799  178.260   9.7997 0.9441833 12.20780 
1 1 1  -42    3   64 o   95.586   7.1864   65.978   9.0381   63.003   11.396   71.022   14.838   93.501   8.9941   97.670   11.211 -4.169090 14.37276 
1 1 1  -42    3   65 o   70.260   10.634   40.799   9.9099   35.531   15.087   44.796   13.143   64.027   17.075   76.492   12.679 -12.46563 21.26766 
1 1 1  -42    3   66 o   72.638   13.994   42.388   13.275   0.0000   0.0000   42.388   13.275  ?   ?    72.638   13.994      ?      ? 
1 1 1  -42    3   67 o   59.899   15.113   30.053   12.267   0.0000   0.0000   30.053   12.267  ?   ?    59.899   15.113      ?      ? 
1 1 1  -42    3   68 o   71.308   14.060   41.346   13.103   0.0000   0.0000   41.346   13.103  ?   ?    71.308   14.060      ?      ? 
1 1 1  -42    3   69 o   40.979   15.380   12.928   11.565   0.0000   0.0000   12.928   11.565  ?   ?    40.979   15.380      ?      ? 
1 1 1  -42    3   70 o   88.386   12.179   60.598   14.588   0.0000   0.0000   60.598   14.588  ?   ?    88.386   12.179      ?      ? 
1 1 1  -42    3   71 o  123.896   10.887  116.624   18.279   0.0000   0.0000  116.624   18.279  ?   ?   123.896   10.887      ?      ? 
1 1 1  -42    4    1 o  128.427   4.6823  113.947   8.0845  113.234   12.198  114.506   10.796  127.914   7.0370  128.940   6.1788 -1.026062 9.364624 
1 1 1  -42    4    2 o  187.517   4.5844  242.654   11.601  240.278   17.153  244.657   15.750  186.514   6.7866  188.520   6.1651 -2.005478 9.168794 
1 1 1  -42    4    3 o  219.276   4.6645  329.736   13.802  351.557   20.698  312.263   18.522  225.670   6.7683  212.882   6.4203 12.78831 9.328978 
1 1 1  -42    4    4 o  217.347   4.6968  326.113   13.796  320.402   20.169  331.134   18.911  215.402   6.9097  219.292   6.3638 -3.890976 9.393688 
1 1 1  -42    4    5 f  199.239   4.6608  272.712   12.545  283.872   18.623  263.441   16.974  202.865   6.7742  195.612   6.4034 7.252472 9.321688 
1 1 1  -42    4    6 o  173.726   4.6385  208.174   10.887  203.724   15.931  212.074   14.912  171.858   6.8404  175.594   6.2668 -3.736130 9.276999 
1 1 1  -42    4    7 o  116.773   4.9882   93.561   7.8574   99.896   11.814   88.535   10.522  120.236   7.2505  113.310   6.8526 6.925507 9.976395 
1 1 1  -42    4    8 o  259.866   4.9108  465.602   17.270  468.314   25.113  463.169   23.788  260.471   7.1148  259.261   6.7708 1.209381 9.821645 
1 1 1  -42    4    9 o  154.414   4.8605  165.315   10.089  154.901   14.950  174.022   13.671  149.727   7.3684  159.100   6.3407 -9.373245 9.720946 
1 1 1  -42    4   10 o  249.748   6.1186  439.388   19.084  419.268   33.952  448.682   23.075  244.191   10.260  255.305   6.6696 -11.11418 12.23729 
1 1 1  -42    4   11 o  113.584   6.5146   90.093   8.9652   89.863   16.970   90.182   10.559  112.733   11.108  114.435   6.8090 -1.701775 13.02911 
1 1 1  -42    4   12 o  173.392   5.9948  212.985   12.833  198.182   23.132  219.567   15.425  168.029   10.159  178.756   6.3676 -10.72734 11.98957 
1 1 1  -42    4   13 o  140.911   6.1337  138.043   10.694  137.939   19.578  138.087   12.766  140.139   10.309  141.683   6.6492 -1.544296 12.26749 
1 1 1  -42    4   14 o  175.815   6.1730  224.751   13.395  188.889   23.423  242.179   16.328  163.887   10.547  187.743   6.4180 -23.85576 12.34591 
1 1 1  -42    4   15 o   78.240   8.1725   46.222   7.9012   53.962   10.220   34.721   12.457   88.159   8.5545   68.320   13.928 19.83851 16.34500 
1 1 1  -42    4   16 o  179.582   5.7000  222.314   13.455  219.348   17.025  227.247   21.958  178.448   7.0404  180.716   8.9663 -2.268402 11.40007 
1 1 1  -42    4   17 o  113.021   6.1772   86.642   9.2679   78.955   11.776   99.152   15.023  106.776   8.1383  119.265   9.2951 -12.48869 12.35440 
1 1 1  -42    4   18 o   95.227   6.3987   67.670   7.0780   73.095   8.3403   53.706   13.381  103.258   5.9604   87.195   11.325 16.06273 12.79741 
1 1 1  -42    4   19 o  136.205   5.5619  131.722   9.0750  136.068   10.703  120.609   17.116  140.982   5.6024  131.428   9.6099 9.553360 11.12377 
1 1 1  -42    4   20 o   85.070   6.4767   51.019   6.5996   51.791   7.7484   48.979   12.595   86.810   6.5866   83.331   11.154 3.479553 12.95343 
1 1 1  -42    4   21 o  105.719   6.3188   78.460   8.5254   80.045   10.502   75.398   14.599  107.776   7.1908  103.661   10.392 4.115692 12.63762 
1 1 1  -42    4   22 f   83.865   7.7380   49.357   8.7698   44.554   12.045   54.774   12.793   79.468   11.185   88.262   10.696 -8.793884 15.47607 
1 1 1  -42    4   23 o  141.401   5.7880  136.974   11.091  136.974   11.091   0.0000   0.0000  141.401   5.7880  ?   ?       ?      ? 
1 1 1  -42    4   24 o   84.624   6.9661   49.302   7.9884   49.302   7.9884   0.0000   0.0000   84.624   6.9661  ?   ?       ?      ? 
1 1 1  -42    4   25 o  100.191   6.4254   72.370   7.5987   75.300   8.9145   64.586   14.532  104.733   6.2810   95.649   11.211 9.083893 12.85085 
1 1 1  -42    4   26 o  172.242   5.4267  204.874   11.250  204.753   13.184  205.197   21.578  172.920   5.6263  171.564   9.2811 1.356552 10.85333 
1 1 1  -42    4   27 o   81.001   6.7168   44.355   6.6536   42.510   7.8034   49.269   12.735   78.497   7.3358   83.504   11.254 -5.006981 13.43360 
1 1 1  -42    4   28 o  195.018   5.4631  264.156   12.832  265.672   15.069  260.157   24.477  196.947   5.6462  193.089   9.3543 3.858231 10.92629 
1 1 1  -42    4   29 o  148.974   5.5574  151.158   9.9898  148.306   11.673  158.965   19.314  147.079   5.8564  150.868   9.4467 -3.788910 11.11476 
1 1 1  -42    4   30 o  190.650   5.4432  249.461   12.530  247.171   14.680  255.603   24.047  189.921   5.7040  191.379   9.2724 -1.457306 10.88634 
1 1 1  -42    4   31 o  113.626   5.1543   89.230   7.9217   87.011   11.469   91.255   10.955  112.199   7.5430  115.053   7.0263 -2.854126 10.30851 
1 1 1  -42    4   32 o  258.505   4.9466  460.430   17.319  469.174   24.998  452.359   24.016  260.814   7.0728  256.196   6.9175 4.618347 9.893238 
1 1 1  -42    4   33 f  169.297   4.8061  197.432   11.015  198.265   15.958  196.675   15.223  169.577   6.9443  169.018   6.6462 0.5587158 9.612247 
1 1 1  -42    4   34 o  278.481   6.1522  536.272   22.072  527.581   27.201  553.026   37.767  276.353   7.2634  280.609   9.9318 -4.256195 12.30435 
1 1 1  -42    4   35 o  122.531   7.5021  103.439   12.252  133.992   18.897   81.283   16.092  137.991   10.106  107.071   11.091 30.92016 15.00416 
1 1 1  -42    4   36 o  172.338   6.9218  208.076   16.127  216.887   23.812  200.610   21.919  175.560   10.009  169.117   9.5642 6.443375 13.84370 
1 1 1  -42    4   37 o  213.560   4.8931  314.476   14.144  322.059   20.592  307.702   19.462  215.927   7.0374  211.193   6.8002 4.734009 9.786153 
1 1 1  -42    4   38 o  232.679   4.9348  374.372   15.543  358.307   22.125  390.028   21.841  227.620   7.1727  237.739   6.7795 -10.11879 9.869608 
1 1 1  -42    4   39 o  224.211   4.9209  347.451   14.943  345.676   21.456  349.122   20.825  223.578   7.0816  224.845   6.8345 -1.267441 9.841726 
1 1 1  -42    4   40 o  191.985   4.8619  254.862   12.640  249.439   18.094  260.031   17.664  189.903   7.0310  194.066   6.7169 -4.163116 9.723749 
1 1 1  -42    4   41 f  116.259   5.3438   94.277   8.3763   87.326   12.152  100.569   11.562  111.986   8.0077  120.533   7.0784 -8.546951 10.68769 
1 1 1  -42    4   42 o   66.181   8.8858   29.340   7.5157   22.382   9.1449   43.821   13.192   54.599   12.614   77.763   12.519 -23.16387 17.77159 
1 1 1  -42    4   43 o   95.337   7.3082   65.874   8.9267   69.089   11.150   60.134   14.897   99.438   8.2747   91.237   12.049 8.201561 14.61640 
1 1 1  -42    4   44 o   72.858   8.1634   34.814   7.4852   47.996   14.111   29.653   8.8298   81.086   12.842   64.631   10.082 16.45478 16.32674 
1 1 1  -42    4   45 o  183.078   6.1727  239.760   14.152  223.348   24.847  247.642   17.219  177.029   10.357  189.126   6.7184 -12.09705 12.34533 
1 1 1  -42    4   46 o  157.436   4.9451  171.370   10.529  183.436   15.486  160.996   14.360  162.550   7.0302  152.321   6.9566 10.22900 9.890257 
1 1 1  -42    4   47 o  110.055   5.4209   84.246   8.0702   90.056   11.843   79.209   11.027  113.574   7.6948  106.537   7.6377 7.036285 10.84182 
1 1 1  -42    4   48 o  118.808   5.3117   99.056   8.4989   89.661   12.273  107.712   11.781  113.130   8.0053  124.486   6.9836 -11.35535 10.62333 
1 1 1  -42    4   49 o   82.430   6.3024   47.560   7.0017   54.831   10.472   41.682   9.4160   88.127   8.7685   76.734   9.0552 11.39337 12.60488 
1 1 1  -42    4   50 o  131.330   5.2344  120.455   9.2813  120.589   13.722  120.342   12.601  131.227   7.7161  131.433   7.0750 -0.2055664 10.46871 
1 1 1  -42    4   51 o   91.122   6.1497   57.468   7.4897   72.680   11.487   46.218   9.8782  101.540   8.3482   80.705   9.0322 20.83431 12.29931 
1 1 1  -42    4   52 o   95.307   7.1527   64.013   8.5627   68.836   15.487   61.890   10.276   96.853   11.800   93.761   8.0878 3.091492 14.30538 
1 1 1  -42    4   53 o   94.007   7.4625   65.724   8.6398   59.124   15.367   68.774   10.447   89.091   12.729   98.922   7.7934 -9.830734 14.92499 
1 1 1  -42    4   54 o  164.781   5.0622  190.311   11.272  183.379   16.371  196.559   15.543  161.693   7.4712  167.870   6.8327 -6.177109 10.12443 
1 1 1  -42    4   55 o   62.651   8.2108   30.178   6.6521   23.789   9.9849   35.277   8.9200   55.116   13.480   70.186   9.3784 -15.07001 16.42163 
1 1 1  -42    4   56 o  148.501   6.0763  155.835   11.885  152.858   15.085  160.709   19.301  147.433   7.5504  149.569   9.5225 -2.135635 12.15260 
1 1 1  -42    4   57 o  109.468   6.5154   84.440   9.4470   79.307   12.003   92.793   15.313  105.689   8.3809  113.248   9.9782 -7.559090 13.03086 
1 1 1  -42    4   58 o  115.154   8.0828   93.947   12.613   93.947   12.613   0.0000   0.0000  115.154   8.0828  ?   ?       ?      ? 
1 1 1  -42    4   59 o  139.293   7.5660  136.854   14.282  136.854   14.282   0.0000   0.0000  139.293   7.5660  ?   ?       ?      ? 
1 1 1  -42    4   60 o   47.307   9.3876   18.450   7.0969   26.853   9.1888   6.0276   11.173   59.160   11.874   35.454   14.543 23.70648 18.77520 
1 1 1  -42    4   61 o   69.998   8.9238   38.499   7.8932   41.299   10.036   33.958   12.780   75.384   9.8245   64.613   14.900 10.77122 17.84752 
1 1 1  -42    4   62 o   92.957   7.4059   62.886   9.0494   60.991   11.434   66.063   14.806   91.942   9.1766   93.972   11.627 -2.030098 14.81183 
1 1 1  -42    4   63 o   74.929   10.625   45.156   10.330   50.427   15.879   41.289   13.601   78.366   15.502   71.493   14.534 6.873001 21.24962 
1 1 1  -42    4   64 o  115.182   8.7650  103.510   12.996   71.128   18.572  134.584   18.193   94.722   14.469  135.643   9.8975 -40.92127 17.53000 
1 1 1  -42    4   67 o   73.915   14.396   44.718   13.902   0.0000   0.0000   44.718   13.902  ?   ?    73.915   14.396      ?      ? 
1 1 1  -42    4   68 o  101.414   11.345   78.092   15.592   0.0000   0.0000   78.092   15.592  ?   ?   101.414   11.345      ?      ? 
1 1 1  -42    4   69 o   48.860   15.814   20.784   11.948   0.0000   0.0000   20.784   11.948  ?   ?    48.860   15.814      ?      ? 
1 1 1  -42    4   70 o   29.143   13.192  -1.7741   11.187   0.0000   0.0000  -1.7741   11.187  ?   ?    29.143   13.192      ?      ? 
1 1 1  -42    4   71 o   91.337   12.602   66.177   15.599   0.0000   0.0000   66.177   15.599  ?   ?    91.337   12.602      ?      ? 
1 1 1  -42    5    1 o  173.270   4.5574  209.102   10.585  192.940   15.787  222.301   14.267  166.849   6.9823  179.690   5.8590 -12.84106 9.114826 
1 1 1  -42    5    2 o   92.874   5.1511   59.122   6.4092   64.685   9.9972   55.239   8.3512   96.424   7.6509   89.324   6.8992 7.100166 10.30221 
1 1 1  -42    5    3 o  111.087   4.8935   85.176   7.2704   86.818   11.267   84.005   9.5169  111.822   7.4354  110.352   6.3640 1.470314 9.787053 
1 1 1  -42    5    4 o   96.835   5.2770   65.674   6.7969   61.620   10.478   68.619   8.9310   93.984   8.2267   99.686   6.6112 -5.702118 10.55399 
1 1 1  -42    5    5 o  162.278   5.6736  185.600   12.099  193.676   15.552  173.216   19.257  167.393   6.8559  157.163   9.0420 10.23010 11.34729 
1 1 1  -42    5    6 o  251.414   5.9478  445.272   19.469  457.655   24.585  424.448   31.882  257.223   7.0532  245.605   9.5790 11.61754 11.89557 
1 1 1  -42    5    7 o  187.291   4.6256  240.645   11.679  253.360   17.602  230.645   15.610  191.569   6.7802  183.014   6.2940 8.554321 9.251239 
1 1 1  -42    5    8 o  208.816   4.6725  300.642   13.174  300.875   19.474  300.445   17.889  208.735   6.8846  208.895   6.3192 -0.1601257 9.345072 
1 1 1  -42    5    9 o  123.014   4.9295  105.187   8.1330   99.032   12.192  110.123   10.917  119.557   7.5249  126.470   6.3701 -6.912468 9.859085 
1 1 1  -42    5   10 o  201.915   4.7037  281.315   12.824  277.421   18.880  284.649   17.473  200.459   6.9501  203.370   6.3400 -2.911560 9.407381 
1 1 1  -42    5   11 o  152.435   4.7194  160.340   9.6990  158.171   14.406  162.139   13.117  151.352   7.0238  153.518   6.3053 -2.165710 9.438791 
1 1 1  -42    5   12 o   60.707   7.3519   25.783   5.8037   34.706   8.8879   19.149   7.6630   70.415   9.3144   50.999   11.377 19.41566 14.70371 
1 1 1  -42    5   13 o  159.607   4.7785  174.967   10.295  182.251   15.367  169.036   13.868  162.521   6.9773  156.693   6.5309 5.828003 9.556925 
1 1 1  -42    5   14 o  131.563   4.9730  119.696   8.8175  116.808   13.081  122.102   11.937  129.968   7.4270  133.158   6.6154 -3.190323 9.946007 
1 1 1  -42    5   15 o  145.665   4.8888  146.715   9.5921  142.216   14.241  150.452   12.978  143.460   7.3251  147.870   6.4765 -4.409988 9.777627 
1 1 1  -42    5   16 o  192.497   5.1540  252.036   12.156  246.862   14.334  265.288   22.938  189.797   5.5730  195.196   8.6717 -5.398911 10.30806 
1 1 1  -42    5   17 o  261.369   6.6643  477.777   23.602  471.091   33.099  484.693   33.665  259.521   9.4114  263.217   9.4381 -3.696381 13.32866 
1 1 1  -42    5   18 o  350.994   10.773  869.905   51.240   0.0000   0.0000  869.905   51.240  ?   ?   350.994   10.773      ?      ? 
1 1 1  -42    5   19 o  156.948   5.8349  172.366   12.126  177.990   15.732  164.133   19.034  160.566   7.2300  153.331   9.1603 7.235504 11.66976 
1 1 1  -42    5   20 o  127.882   5.3783  112.604   8.4189  111.913   9.9567  114.335   15.768  127.757   5.7511  128.006   9.0902 -0.2486801 10.75670 
1 1 1  -42    5   21 o   50.532   8.4958   20.380   5.6288   23.681   6.7128   12.561   10.331   58.365   8.4872   42.700   14.720 15.66549 16.99154 
1 1 1  -42    5   22 o  128.812   5.5053  117.040   8.6995  120.225   10.397  109.603   15.887  132.405   5.7944  125.218   9.3627 7.186386 11.01069 
1 1 1  -42    5   23 o  159.153   5.2367  170.494   10.248  164.489   12.074  185.969   19.382  154.885   5.7524  163.421   8.7522 -8.536530 10.47331 
1 1 1  -42    5   24 o  341.063   6.1801  803.402   25.159  796.028   29.294  824.133   49.117  340.275   6.3529  341.851   10.603 -1.576569 12.36022 
1 1 1  -42    5   25 o  275.177   5.9244  519.638   22.092  519.638   22.092   0.0000   0.0000  275.177   5.9244  ?   ?       ?      ? 
1 1 1  -42    5   26 f  189.289   5.6624  245.633   14.525  245.633   14.525   0.0000   0.0000  189.289   5.6624  ?   ?       ?      ? 
1 1 1  -42    5   27 o  148.997   5.4394  152.301   9.9152  150.438   11.706  157.032   18.655  148.077   5.8334  149.917   9.1826 -1.839920 10.87877 
1 1 1  -42    5   28 o  133.118   5.5878  123.043   9.1607  123.312   10.904  122.397   16.889  134.006   6.0045  132.230   9.4255 1.776871 11.17562 
1 1 1  -42    5   29 o  164.658   5.6658  186.636   12.090  183.021   14.987  193.374   20.458  162.943   6.7873  166.374   9.0740 -3.431198 11.33162 
1 1 1  -42    5   30 o   67.547   8.1979   32.340   7.0435   30.757   8.7582   35.237   11.851   66.182   9.7655   68.913   13.170 -2.730637 16.39571 
1 1 1  -42    5   31 o  156.388   5.7206  165.582   11.612  155.590   14.300  184.929   19.898  150.109   7.0299  162.666   9.0267 -12.55655 11.44118 
1 1 1  -42    5   32 o  204.329   5.4516  284.707   13.606  278.569   16.012  300.656   25.811  201.411   5.8665  207.248   9.1904 -5.837585 10.90320 
1 1 1  -42    5   33 f  121.476   6.1269  102.674   9.7444  101.820   12.278  104.128   16.017  121.247   7.4727  121.706   9.7114 -0.4590378 12.25370 
1 1 1  -42    5   34 o  224.981   4.8448  349.730   14.759  337.034   20.999  362.124   20.748  220.841   7.0169  229.122   6.6823 -8.280701 9.689646 
1 1 1  -42    5   35 f  198.468   4.8090  272.149   12.925  265.273   18.470  278.746   18.092  195.924   6.9566  201.011   6.6417 -5.087540 9.618052 
1 1 1  -42    5   36 o  258.539   4.9953  462.550   17.494  453.438   24.913  471.414   24.572  255.936   7.1831  261.142   6.9436 -5.205475 9.990524 
1 1 1  -42    5   37 f  177.642   6.1600  227.470   13.645  202.223   23.823  239.795   16.646  168.885   10.409  186.399   6.5900 -17.51357 12.32001 
1 1 1  -42    5   38 o  105.674   5.4476   77.183   7.7693   82.469   11.643   72.939   10.432  108.850   7.8930  102.497   7.5103 6.353203 10.89517 
1 1 1  -42    5   39 o  123.416   5.2115  106.066   8.6811  100.408   12.627  111.138   11.955  120.127   7.7565  126.706   6.9625 -6.578720 10.42303 
1 1 1  -42    5   40 o   76.038   9.4216   50.932   8.0195   26.734   14.594   61.399   9.5985   58.097   17.270   93.978   7.5369 -35.88024 18.84313 
1 1 1  -42    5   41 o  180.093   6.0787  229.122   13.697  222.534   24.378  232.162   16.558  176.984   10.164  183.202   6.6696 -6.217712 12.15733 
1 1 1  -42    5   42 o   81.652   8.5683   50.897   8.0728   44.163   14.957   53.665   9.5893   75.673   15.115   87.630   8.0752 -11.95673 17.13668 
1 1 1  -42    5   43 o   86.782   7.4266   53.310   8.4452   51.854   10.616   55.821   13.938   85.728   9.1378   87.836   11.710 -2.107704 14.85323 
1 1 1  -42    5   44 o   65.927   8.9192   32.736   7.5246   34.067   9.5517   30.559   12.216   69.103   10.200   62.751   14.634 6.352425 17.83837 
1 1 1  -42    5   45 o  141.441   5.0630  139.588   9.6717  132.230   14.006  146.295   13.372  137.684   7.5066  145.197   6.7960 -7.513016 10.12594 
1 1 1  -42    5   46 o  115.176   5.4043   92.376   8.4102   96.870   12.481   88.638   11.382  117.647   7.8286  112.706   7.4526 4.941216 10.80869 
1 1 1  -42    5   47 o   73.716   6.8169   39.025   6.7330   35.913   10.026   41.581   9.0870   70.696   10.465   76.736   8.7386 -6.039619 13.63375 
1 1 1  -42    5   48 o  164.486   4.9770  188.450   11.066  188.835   16.230  188.116   15.129  164.484   7.2813  164.487   6.7872 -0.2288818E-02 9.954084 
1 1 1  -42    5   49 o  105.831   5.6375   78.238   8.0555   84.161   12.038   73.434   10.840  109.365   8.1227  102.297   7.8197 7.068024 11.27502 
1 1 1  -42    5   50 o   52.700   8.4143   21.820   6.1664   12.298   9.1500   29.743   8.3465   40.883   13.859   64.517   9.5465 -23.63371 16.82863 
1 1 1  -42    5   51 f  165.492   4.9665  190.917   11.116  195.605   16.311  186.852   15.190  167.265   7.1962  163.719   6.8467 3.545486 9.932959 
1 1 1  -42    5   52 o  168.559   5.0535  199.581   11.485  180.790   16.460  217.410   16.033  160.473   7.5691  176.646   6.6979 -16.17317 10.10708 
1 1 1  -42    5   53 o  126.639   6.9160  122.042   10.627   97.890   18.683  133.596   12.922  114.970   11.991  138.308   6.8942 -23.33765 13.83201 
1 1 1  -42    5   54 o   69.452   10.089   37.589   9.1088   41.541   13.957   34.658   12.022   72.359   14.735   66.544   13.785 5.814880 20.17760 
1 1 1  -42    5   55 f  103.942   6.8843   79.153   9.3614   83.666   12.034   72.237   14.897  108.685   8.1710   99.199   11.082 9.485809 13.76855 
1 1 1  -42    5   56 o  115.563   6.5020   97.010   9.8469  101.337   12.633   90.310   15.718  119.800   7.7818  111.326   10.419 8.473381 13.00407 
1 1 1  -42    5   57 o   79.009   7.6673   45.323   8.0047   43.546   10.178   48.204   12.961   77.623   9.6756   80.394   11.897 -2.771027 15.33453 
1 1 1  -42    5   58 o   73.921   8.7858   43.255   8.1477   49.395   10.570   34.267   12.789   82.744   9.4270   65.099   14.829 17.64517 17.57163 
1 1 1  -42    5   59 o   92.025   8.9628   60.819   11.177   60.819   11.177   0.0000   0.0000   92.025   8.9628  ?   ?       ?      ? 
1 1 1  -42    5   60 o   76.512   8.8722   45.757   8.4750   48.375   10.675   41.293   13.939   81.645   9.6483   71.379   14.892 10.26567 17.74439 
1 1 1  -42    5   61 o   89.603   9.1522   62.004   10.928   57.717   16.563   65.309   14.543   85.730   14.257   93.477   11.480 -7.746140 18.30447 
1 1 1  -42    5   62 o   61.594   10.216   33.205   9.7218   10.640   14.781   50.410   12.906   41.259   16.803   81.929   11.625 -40.67069 20.43246 
1 1 1  -42    5   63 o   82.575   10.059   55.129   10.740   48.218   16.174   60.580   14.364   75.629   16.265   89.521   11.840 -13.89180 20.11790 
1 1 1  -42    5   64 o  139.923   7.6963  146.483   14.505  140.559   21.381  151.535   19.744  136.471   11.562  143.376   10.162 -6.905121 15.39253 
1 1 1  -42    5   65 o   76.619   10.618   46.582   10.791   74.647   16.759   26.706   14.104   98.329   12.577   54.909   17.111 43.42093 21.23583 
1 1 1  -42    5   66 o   40.316   10.625   10.169   8.9207  -3.3176   13.299   21.201   12.028   30.971   14.160   49.662   15.845 -18.69143 21.25023 
1 1 1  -42    5   67 o   86.220   12.599   57.987   14.721   0.0000   0.0000   57.987   14.721  ?   ?    86.220   12.599      ?      ? 
1 1 1  -42    5   68 o  125.536   10.875  119.342   18.500   0.0000   0.0000  119.342   18.500  ?   ?   125.536   10.875      ?      ? 
1 1 1  -42    5   69 o   32.113   14.024   2.4998   11.539   0.0000   0.0000   2.4998   11.539  ?   ?    32.113   14.024      ?      ? 
1 1 1  -42    5   70 o   72.917   15.420   46.177   14.760   0.0000   0.0000   46.177   14.760  ?   ?    72.917   15.420      ?      ? 
1 1 1  -42    5   71 o   41.870   16.420   14.602   13.579   0.0000   0.0000   14.602   13.579  ?   ?    41.870   16.420      ?      ? 
1 1 1  -42    6    1 o   73.460   6.3391   41.694   5.5509   27.775   8.8825   50.613   7.1103   61.320   11.098   85.600   6.1296 -24.28038 12.67812 
1 1 1  -42    6    2 o  104.325   5.9205   77.133   8.2479   82.185   11.021   70.701   12.435  108.605   7.4883  100.045   9.1724 8.560364 11.84094 
1 1 1  -42    6    3 o  104.030   5.8486   75.807   8.1635   75.811   10.823   75.801   12.434  104.276   7.6590  103.784   8.8410 0.4919891 11.69714 
1 1 1  -42    6    4 o  170.189   4.5553  200.589   10.390  197.378   15.836  203.016   13.768  168.730   6.9260  171.649   5.9190 -2.918488 9.110605 
1 1 1  -42    6    5 o   88.716   5.4009   55.172   6.2946   53.193   10.124   56.420   8.0367   87.098   8.5778   90.334   6.5652 -3.235565 10.80186 
1 1 1  -42    6    6 o  134.457   4.7071  124.620   8.4567  127.399   13.159  122.664   11.038  135.514   7.1656  133.399   6.1059 2.115387 9.414264 
1 1 1  -42    6    7 o  193.783   4.6477  260.551   12.105  249.776   18.091  269.289   16.290  189.870   7.0310  197.697   6.0805 -7.827362 9.295496 
1 1 1  -42    6    8 o  122.299   4.9140  104.641   8.0022   96.692   12.234  110.587   10.579  117.919   7.6558  126.680   6.1627 -8.760719 9.828054 
1 1 1  -42    6    9 o   95.678   6.4515   65.362   8.1592   70.343   10.713   58.480   12.591  100.528   7.8638   90.829   10.230 9.699196 12.90302 
1 1 1  -42    6   10 o   83.747   7.0267   49.899   7.7461   51.121   9.9342   48.003   12.372   85.505   8.5735   81.989   11.135 3.515686 14.05347 
1 1 1  -42    6   11 o   80.642   5.8328   43.742   6.2586   55.141   10.049   36.519   7.9997   88.894   8.3417   72.389   8.1549 16.50506 11.66563 
1 1 1  -42    6   12 o   65.024   7.3353   32.473   5.8443   22.751   9.2507   38.931   7.5395   55.117   12.653   74.931   7.4250 -19.81354 14.67054 
1 1 1  -42    6   13 o  207.128   6.3938  295.668   17.946   0.0000   0.0000  295.668   17.946  ?   ?   207.128   6.3938      ?      ? 
1 1 1  -42    6   14 o  117.664   6.9459   97.435   9.4189   97.725   19.211   97.343   10.807  116.573   12.161  118.755   6.7153 -2.182419 13.89186 
1 1 1  -42    6   15 o   98.810   5.5734   66.479   6.8416   64.482   8.1318   71.316   12.658   96.791   6.1997  100.829   9.2637 -4.037209 11.14680 
1 1 1  -42    6   16 o   90.450   5.7195   54.217   6.4111   50.553   7.5478   63.710   12.148   85.640   6.5037   95.261   9.4103 -9.620621 11.43901 
1 1 1  -42    6   17 f  116.950   5.5324   97.372   7.8274  100.623   9.2895   89.412   14.535  121.078   5.6617  112.823   9.5066 8.255104 11.06479 
1 1 1  -42    6   18 o  106.445   5.9070   83.571   7.5405   90.260   9.0339   68.206   13.692  114.637   5.8152   98.254   10.284 16.38324 11.81390 
1 1 1  -42    6   19 o   90.194   6.2795   60.116   6.7869   64.771   8.1230   49.351   12.352   97.029   6.1778   83.360   10.935 13.66851 12.55904 
1 1 1  -42    6   20 o   88.620   5.7997   52.828   6.4630   49.941   7.7159   59.614   11.832   85.090   6.6915   92.151   9.4746 -7.060440 11.59935 
1 1 1  -42    6   21 o   81.595   7.1044   47.289   7.7687   49.947   10.449   44.004   11.616   84.455   9.1303   78.735   10.887 5.720139 14.20887 
1 1 1  -42    6   22 o   95.537   6.1252   64.315   7.5811   65.924   9.5071   61.505   12.563   97.630   7.1859   93.444   9.9214 4.186272 12.25034 
1 1 1  -42    6   23 o   90.899   6.5118   59.810   7.5961   65.137   9.6205   50.992   12.378   97.007   7.3183   84.792   10.773 12.21507 13.02351 
1 1 1  -42    6   24 o  114.086   5.8839   91.349   8.7452   93.339   11.032   87.985   14.345  116.223   7.0047  111.949   9.4559 4.273781 11.76779 
1 1 1  -42    6   25 o  126.902   5.8504  114.286   9.6641  120.945   12.313  103.604   15.595  132.343   6.8658  121.461   9.4748 10.88210 11.70089 
1 1 1  -42    6   26 o   85.364   6.2146   48.337   6.7235   44.033   8.0344   58.394   12.282   79.719   7.4372   91.009   9.9586 -11.28986 12.42920 
1 1 1  -42    6   27 o   98.829   6.5504   67.348   8.7728   67.348   8.7728   0.0000   0.0000   98.829   6.5504  ?   ?       ?      ? 
1 1 1  -42    6   28 o  123.760   6.0213  105.341   10.098  105.341   10.098   0.0000   0.0000  123.760   6.0213  ?   ?       ?      ? 
1 1 1  -42    6   29 o  200.277   5.2876  270.992   12.917  262.043   15.147  294.855   24.733  195.322   5.7225  205.233   8.8931 -9.911560 10.57515 
1 1 1  -42    6   30 o   68.019   7.6424   33.258   6.3454   33.135   7.6699   33.524   11.296   68.953   8.2083   67.085   12.894 1.867676 15.28476 
1 1 1  -42    6   31 o   75.003   6.7427   35.059   6.4351   26.471   7.6735   55.413   11.814   61.394   9.2232   88.612   9.8381 -27.21785 13.48541 
1 1 1  -42    6   32 o   86.360   6.6444   52.396   7.0981   52.291   8.4739   52.643   12.995   86.876   7.1978   85.845   11.171 1.030495 13.28875 
1 1 1  -42    6   33 o  109.174   5.6868   75.833   7.8394   64.619   9.2715  103.958   14.683   96.593   7.0830  121.756   8.8989 -25.16264 11.37361 
1 1 1  -42    6   34 f  125.733   5.7361  109.266   8.9689  107.736   10.711  112.856   16.406  124.980   6.3243  126.485   9.5715 -1.504799 11.47219 
1 1 1  -42    6   35 f  194.341   7.3452  273.485   18.920  233.235   28.364  305.749   25.395  180.063   11.624  208.618   8.9827 -28.55510 14.69041 
1 1 1  -42    6   36 o  131.513   6.2554  124.578   10.252  112.841   18.008  130.206   12.470  125.828   10.561  137.197   6.7071 -11.36855 12.51086 
1 1 1  -42    6   37 o   86.024   7.9478   57.740   7.9151   43.379   13.902   64.629   9.6282   75.615   14.085   96.432   7.3678 -20.81653 15.89552 
1 1 1  -42    6   38 o  171.566   6.0248  204.128   12.798  212.247   23.609  200.749   15.230  172.789   10.083  170.343   6.5976 2.446243 12.04957 
1 1 1  -42    6   39 o  106.026   5.4669   78.867   7.7915   74.049   11.547   82.894   10.558  102.809   8.2878  109.243   7.1316 -6.433701 10.93378 
1 1 1  -42    6   40 o  105.094   5.4255   76.933   7.7032   78.708   11.399   75.441   10.450  106.105   7.9278  104.083   7.4092 2.021965 10.85106 
1 1 1  -42    6   41 o   79.689   6.3487   45.715   6.7035   37.753   9.9181   52.412   9.0956   72.763   10.059   86.614   7.7492 -13.85094 12.69739 
1 1 1  -42    6   42 o   73.157   6.5770   37.738   6.4745   39.493   9.8365   36.397   8.6001   74.493   9.7440   71.820   8.8364 2.673172 13.15403 
1 1 1  -42    6   43 o  186.465   4.9072  242.193   12.374  231.538   17.805  252.149   17.210  182.304   7.2070  190.626   6.6621 -8.321762 9.814484 
1 1 1  -42    6   44 o   94.172   7.2124   61.919   8.9097   57.314   11.113   70.203   14.906   89.915   9.1207   98.428   11.175 -8.512886 14.42489 
1 1 1  -42    6   45 o  159.653   6.2102  178.603   12.728  175.028   15.622  185.661   21.949  158.350   7.2801  160.956   10.063 -2.605270 12.42047 
1 1 1  -42    6   46 o   67.088   7.2957   31.962   6.5874   36.437   10.047   28.587   8.7246   71.112   10.426   63.065   10.209 8.047424 14.59146 
1 1 1  -42    6   47 f   79.750   6.5318   45.363   7.0020   44.663   10.532   45.917   9.3737   78.935   9.8459   80.566   8.5858 -1.630974 13.06361 
1 1 1  -42    6   48 o   81.836   6.4186   47.170   7.0633   51.640   10.832   43.863   9.3165   85.032   9.4003   78.641   8.7423 6.391060 12.83719 
1 1 1  -42    6   49 o   78.728   6.6978   45.393   6.9509   37.061   10.379   52.169   9.3597   71.430   10.723   86.027   8.0288 -14.59696 13.39556 
1 1 1  -42    6   50 o   69.980   8.8726   38.531   7.8686   44.657   10.272   29.833   12.241   78.883   9.6092   61.076   14.918 17.80720 17.74516 
1 1 1  -42    6   51 o   72.764   7.8480   38.401   7.5898   36.895   9.7544   40.712   12.083   71.452   10.074   74.076   12.036 -2.623795 15.69592 
1 1 1  -42    6   52 o  142.990   6.1478  147.386   11.490  153.483   14.664  137.691   18.492  147.875   7.3178  138.105   9.8810 9.770111 12.29569 
1 1 1  -42    6   53 o  110.645   6.3835   84.281   9.3249   73.753   11.690  102.697   15.462  101.857   8.4694  119.433   9.5532 -17.57632 12.76692 
1 1 1  -42    6   54 o  158.352   7.0973  180.855   15.142  191.488   22.897  172.592   20.186  162.051   10.427  154.653   9.6317 7.397781 14.19468 
1 1 1  -42    6   55 o   91.545   7.1995   60.717   8.7633   59.529   11.321   62.494   13.842   91.026   9.1778   92.064   11.095 -1.038559 14.39892 
1 1 1  -42    6   56 o   51.979   10.063   22.200   7.3716   25.118   9.6204   18.051   11.473   56.650   12.830   47.308   15.507 9.342335 20.12609 
1 1 1  -42    6   57 o  110.708   6.7027   88.252   9.8213   86.865   12.586   90.412   15.704  110.337   8.4178  111.078   10.433 -0.7408447 13.40530 
1 1 1  -42    6   58 o  126.009   7.6620  117.239   12.964  117.229   19.643  117.246   17.256  125.276   11.571  126.742   10.047 -1.465820 15.32407 
1 1 1  -42    6   59 o   74.852   16.705   47.352   16.515   47.352   16.515   0.0000   0.0000   74.852   16.705  ?   ?       ?      ? 
1 1 1  -42    6   60 o   88.572   13.904   61.393   16.688   61.393   16.688   0.0000   0.0000   88.572   13.904  ?   ?       ?      ? 
1 1 1  -42    6   61 o   52.972   11.065   24.422   9.1040   14.090   14.087   31.832   11.930   43.475   16.814   62.469   14.389 -18.99438 22.13036 
1 1 1  -42    6   62 o   76.655   10.309   47.742   10.304   45.525   15.870   49.358   13.549   73.085   16.424   80.225   12.463 -7.140404 20.61709 
1 1 1  -42    6   63 o   49.559   11.639   19.947   9.1599   28.435   14.387   14.161   11.878   56.578   17.222   42.539   15.660 14.03911 23.27722 
1 1 1  -42    6   64 o  105.576   8.3535   85.093   11.863   85.065   17.821   85.116   15.896  104.797   12.549  106.354   11.029 -1.557053 16.70709 
1 1 1  -42    6   65 o   42.414   11.301   14.119   8.7289   14.714   13.853   13.727   11.241   43.199   16.683   41.630   15.248 1.568806 22.60107 
1 1 1  -42    6   66 o   67.376   11.528   39.878   10.312   39.792   16.056   39.938   13.454   65.899   17.633   68.853   14.855 -2.954628 23.05662 
1 1 1  -42    6   67 o   63.270   15.616   34.916   13.308   0.0000   0.0000   34.916   13.308  ?   ?    63.270   15.616      ?      ? 
1 1 1  -42    6   68 o   49.480   16.742   22.406   13.352   0.0000   0.0000   22.406   13.352  ?   ?    49.480   16.742      ?      ? 
1 1 1  -42    6   69 o   69.906   16.225   43.896   15.074   0.0000   0.0000   43.896   15.074  ?   ?    69.906   16.225      ?      ? 
1 1 1  -42    6   70 o   64.884   16.934   39.472   15.049   0.0000   0.0000   39.472   15.049  ?   ?    64.884   16.934      ?      ? 
1 1 1  -42    6   71 o   47.473   17.277   21.891   14.399   0.0000   0.0000   21.891   14.399  ?   ?    47.473   17.277      ?      ? 
1 1 1  -42    7    1 o   56.151   11.606   23.699   8.5393   23.699   8.5393   0.0000   0.0000   56.151   11.606  ?   ?       ?      ? 
1 1 1  -42    7    2 f   78.920   8.9859   44.115   9.6102   44.115   9.6102   0.0000   0.0000   78.920   8.9859  ?   ?       ?      ? 
1 1 1  -42    7    3 o   53.351   12.050   21.529   8.5063   21.529   8.5063   0.0000   0.0000   53.351   12.050  ?   ?       ?      ? 
1 1 1  -42    7    4 o   88.001   6.5086   53.674   7.7617   0.0000   0.0000   53.674   7.7617  ?   ?    88.001   6.5086      ?      ? 
1 1 1  -42    7    5 f   56.975   7.2026   23.187   5.1839   24.818   8.8303   22.330   6.4035   57.585   11.714   56.365   8.3835 1.220539 14.40517 
1 1 1  -42    7    6 o  114.329   7.2580   99.026   10.489   68.063   16.065  122.032   13.848   96.500   12.285  132.158   7.7325 -35.65800 14.51603 
1 1 1  -42    7    7 o  114.065   6.8274   92.321   10.304   92.579   16.421   92.153   13.233  113.625   10.664  114.506   8.5280 -0.8812714 13.65489 
1 1 1  -42    7    8 f   92.923   7.0918   65.305   7.4732   53.848   14.710   69.291   8.6763   85.748   12.659  100.098   6.3962 -14.34967 14.18352 
1 1 1  -42    7    9 o   75.614   7.3345   39.775   7.5154   0.0000   0.0000   39.775   7.5154  ?   ?    75.614   7.3345      ?      ? 
1 1 1  -42    7   10 o   93.397   7.1568   60.409   7.5330   65.146   16.115   59.084   8.5214   94.456   12.590   92.338   6.8100 2.117813 14.31362 
1 1 1  -42    7   11 o  105.979   6.8457   85.603   8.3552   66.971   15.847   92.776   9.8329   96.036   12.177  115.922   6.2594 -19.88651 13.69132 
1 1 1  -42    7   12 o   60.461   10.273   28.667   8.3791   23.061   12.403   33.372   11.364   54.332   15.860   66.591   13.060 -12.25840 20.54507 
1 1 1  -42    7   13 o   92.619   7.9415   61.764   9.9197   59.338   14.559   63.866   13.552   90.619   11.856   94.620   10.569 -4.000900 15.88299 
1 1 1  -42    7   14 o   90.377   7.5901   56.333   9.1113   69.010   14.792   48.583   11.566   98.116   11.125   82.638   10.328 15.47791 15.18021 
1 1 1  -42    7   15 o   59.474   7.4622   26.456   5.3259   27.822   6.4149   23.425   9.5550   63.262   7.4827   55.686   12.913 7.576046 14.92437 
1 1 1  -42    7   16 o  156.528   5.0534  168.413   9.7392  166.314   11.548  173.583   18.125  155.598   5.4767  157.458   8.4944 -1.860687 10.10687 
1 1 1  -42    7   17 o   53.903   7.6106   19.696   5.0132   17.005   5.9532   26.258   9.2955   48.375   9.4200   59.431   11.956 -11.05548 15.22120 
1 1 1  -42    7   18 o  109.756   5.3219   82.521   7.2749   80.686   8.6793   86.857   13.339  108.263   5.9159  111.249   8.8483 -2.986221 10.64380 
1 1 1  -42    7   19 o   73.261   6.3734   36.637   5.8125   35.055   6.9030   40.493   10.775   71.102   7.1643   75.421   10.543 -4.319366 12.74676 
1 1 1  -42    7   20 o   56.643   7.6955   21.804   5.3132   19.005   6.3065   28.648   9.8627   51.213   9.4347   62.072   12.160 -10.85822 15.39097 
1 1 1  -42    7   21 f   36.436   8.7988   8.2806   4.8387   6.7857   5.7330   11.982   9.0217   31.888   10.967   40.984   13.762 -9.096605 17.59752 
1 1 1  -42    7   22 o   51.724   8.2698   19.678   5.3577   19.871   6.3829   19.219   9.8572   53.215   8.8513   50.234   13.972 2.980324 16.53965 
1 1 1  -42    7   23 o   72.722   7.4511   36.772   7.2518   30.382   9.5058   45.670   11.216   65.268   10.747   80.177   10.323 -14.90854 14.90222 
1 1 1  -42    7   24 o  112.044   5.5789   87.337   7.7382   87.136   9.2370   87.811   14.171  112.463   6.0609  111.625   9.3681 0.8373566 11.15775 
1 1 1  -42    7   25 o   54.939   7.9882   19.114   5.6014   13.321   6.6921   32.669   10.237   42.353   11.406   67.525   11.187 -25.17205 15.97642 
1 1 1  -42    7   26 o  145.980   5.2996  146.538   9.5822  144.217   11.402  152.118   17.679  144.768   5.8121  147.191   8.8635 -2.422592 10.59915 
1 1 1  -42    7   27 o   54.248   8.4941   21.880   5.8113   22.335   7.0055   20.878   10.406   56.321   9.1787   52.175   14.295 4.146950 16.98822 
1 1 1  -42    7   28 o  100.704   6.0117   70.863   7.5551   70.587   9.0723   71.486   13.647  101.033   6.6263  100.376   10.033 0.6576996 12.02331 
1 1 1  -42    7   29 o   86.624   8.6221   52.630   10.121   52.630   10.121   0.0000   0.0000   86.624   8.6221  ?   ?       ?      ? 
1 1 1  -42    7   30 o   75.137   7.3388   39.625   7.3847   36.529   9.6015   44.110   11.555   71.772   9.8719   78.502   10.862 -6.730247 14.67752 
1 1 1  -42    7   31 o  115.967   6.0571   92.383   9.3560   84.311   11.980  105.006   14.981  109.842   8.0480  122.092   9.0545 -12.25002 12.11424 
1 1 1  -42    7   32 o  103.399   6.0661   76.767   7.8376   79.896   9.5406   70.273   13.745  107.465   6.5513   99.334   10.211 8.130928 12.13211 
1 1 1  -42    7   33 o   71.516   7.0231   34.838   6.4660   31.766   7.8539   41.301   11.391   67.240   8.6194   75.792   11.091 -8.551414 14.04626 
1 1 1  -42    7   34 o   93.913   6.6751   66.838   7.6222   74.918   9.3502   50.833   13.160  104.003   6.6343   83.823   11.585 20.17973 13.35026 
1 1 1  -42    7   35 f  105.601   5.9398   77.318   7.9308   75.596   9.5845   81.057   14.124  104.405   6.7743  106.798   9.7589 -2.392990 11.87969 
1 1 1  -42    7   36 o  109.775   5.9495   83.456   8.2540   81.340   9.9644   88.082   14.734  108.271   6.7914  111.279   9.7705 -3.008179 11.89902 
1 1 1  -42    7   37 o   55.668   8.8240   23.893   6.3190   25.578   7.7461   20.540   10.925   60.012   9.5249   51.325   14.857 8.687771 17.64797 
1 1 1  -42    7   38 o   90.001   6.4259   55.334   7.3461   51.811   8.8389   63.203   13.209   86.119   7.5739   93.882   10.383 -7.762985 12.85179 
1 1 1  -42    7   39 o   83.698   7.3155   46.504   7.6308   60.328   14.539   41.248   8.9647   90.934   11.799   76.461   8.6518 14.47292 14.63090 
1 1 1  -42    7   40 o   85.611   6.2746   53.219   7.0493   40.304   10.281   64.679   9.6843   74.999   10.116   96.223   7.4269 -21.22327 12.54921 
1 1 1  -42    7   41 f   64.475   7.3153   29.722   6.2132   34.878   9.5204   25.896   8.2004   69.747   10.073   59.203   10.611 10.54415 14.63062 
1 1 1  -42    7   42 o  146.813   4.9854  150.620   9.8825  145.680   14.455  154.955   13.542  144.344   7.3898  149.283   6.6940 -4.939285 9.970883 
1 1 1  -42    7   43 o  105.967   5.5162   78.628   7.8889   81.214   11.771   76.519   10.629  107.405   8.0876  104.528   7.5038 2.877220 11.03246 
1 1 1  -42    7   44 o  104.759   5.6670   75.880   7.9724   89.838   12.257   65.644   10.496  112.963   8.0068   96.555   8.0219 16.40842 11.33396 
1 1 1  -42    7   45 o  137.978   6.2671  132.479   11.319  124.841   14.113  146.252   18.951  133.233   7.8166  142.723   9.7983 -9.489807 12.53415 
1 1 1  -42    7   46 o   71.284   8.9348   41.207   7.9117   51.078   10.308   27.053   12.343   84.685   8.9820   57.883   15.448 26.80261 17.86954 
1 1 1  -42    7   47 o  168.771   5.8102  194.404   12.842  175.802   15.926  228.985   21.714  158.281   7.4251  179.262   8.9388 -20.98062 11.62038 
1 1 1  -42    7   48 o  117.840   6.4269  101.071   9.8832  107.522   12.682   91.091   15.773  123.656   7.5679  112.025   10.390 11.63103 12.85390 
1 1 1  -42    7   49 o  128.012   6.1299  112.986   10.364  101.288   13.021  133.207   17.119  119.697   8.0273  136.328   9.2663 -16.63094 12.25972 
1 1 1  -42    7   50 f  109.904   6.5602   86.338   9.6309   84.652   12.564   88.739   14.997  109.102   8.4981  110.705   9.9964 -1.603653 13.12043 
1 1 1  -42    7   51 f   52.254   9.9106   22.248   7.3645   27.246   9.9057   16.071   11.012   59.256   12.717   45.252   15.204 14.00324 19.82114 
1 1 1  -42    7   52 o   85.120   7.6256   54.083   8.5706   58.977   11.328   47.529   13.108   90.580   9.2284   79.660   12.142 10.91972 15.25122 
1 1 1  -42    7   53 o   87.888   7.2845   55.015   8.5645   47.644   11.092   65.897   13.477   80.888   10.119   94.889   10.481 -14.00092 14.56892 
1 1 1  -42    7   54 o  136.813   7.3863  136.300   13.603  144.267   20.659  130.201   18.074  139.865   10.900  133.761   9.9713 6.104218 14.77259 
1 1 1  -42    7   55 o   64.868   10.845   35.677   9.4646   27.631   14.463   41.703   12.517   56.639   17.273   73.096   13.118 -16.45655 21.68993 
1 1 1  -42    7   56 o   69.867   10.336   41.251   9.6368   26.068   14.414   53.524   12.959   54.939   17.326   84.795   11.278 -29.85593 20.67295 
1 1 1  -42    7   57 o  106.049   8.2415   85.625   11.599   74.384   17.342   94.723   15.602   98.390   13.007  113.709   10.125 -15.31842 16.48294 
1 1 1  -42    7   58 o   47.895   9.8924   17.557   8.7054  -2.8565   13.246   33.079   11.550   31.495   14.296   64.294   13.677 -32.79888 19.78474 
1 1 1  -42    7   59 o  112.961   8.3552   97.009   12.642   82.081   17.928  111.774   17.830  103.228   12.816  122.695   10.724 -19.46706 16.71033 
1 1 1  -42    7   60 f  110.102   12.580   93.295   18.770   93.295   18.770   0.0000   0.0000  110.102   12.580  ?   ?       ?      ? 
1 1 1  -42    7   61 o   58.875   11.724   30.577   9.8610   26.200   14.444   34.398   13.495   54.208   17.371   63.542   15.751 -9.333755 23.44881 
1 1 1  -42    7   62 o   45.894   11.785   17.229   9.5535   22.308   14.063   12.876   13.019   50.254   17.181   41.533   16.135 8.721302 23.56957 
1 1 1  -42    7   63 o   66.270   10.906   38.738   10.365   22.093   15.055   53.738   14.292   49.634   17.717   82.905   12.721 -33.27135 21.81122 
1 1 1  -42    7   64 o  103.601   9.1099   85.492   12.561   72.211   18.216   97.533   17.344   94.179   14.273  113.022   11.324 -18.84276 18.21982 
1 1 1  -42    7   65 o   37.554   10.476   6.1819   9.0251  -7.8749   12.953   19.445   12.582   28.133   13.235   46.975   16.242 -18.84251 20.95178 
1 1 1  -42    7   66 o   49.547   12.047   22.673   9.7917   21.828   14.061   23.468   13.644   48.680   17.150   50.414   16.924 -1.734280 24.09411 
1 1 1  -42    7   67 o   89.712   13.344   65.475   16.222   0.0000   0.0000   65.475   16.222  ?   ?    89.712   13.344      ?      ? 
1 1 1  -42    7   68 o   32.512   14.460   2.0845   12.804   0.0000   0.0000   2.0845   12.804  ?   ?    32.512   14.460      ?      ? 
1 1 1  -42    7   69 o   35.465   15.334   6.4508   13.515   0.0000   0.0000   6.4508   13.515  ?   ?    35.465   15.334      ?      ? 
1 1 1  -42    7   70 o   83.483   15.511   62.548   16.901   0.0000   0.0000   62.548   16.901  ?   ?    83.483   15.511      ?      ? 
1 1 1  -42    7   71 o   59.359   17.595   35.902   15.165   0.0000   0.0000   35.902   15.165  ?   ?    59.359   17.595      ?      ? 
1 1 1  -42    8    1 o   99.006   7.9140   69.045   10.618   69.045   10.618   0.0000   0.0000   99.006   7.9140  ?   ?       ?      ? 
1 1 1  -42    8    2 o  141.218   7.1382  139.404   13.660  139.404   13.660   0.0000   0.0000  141.218   7.1382  ?   ?       ?      ? 
1 1 1  -42    8    3 o   93.567   8.2375   61.782   10.445   61.782   10.445   0.0000   0.0000   93.567   8.2375  ?   ?       ?      ? 
1 1 1  -42    8    4 o   97.869   8.1274   67.482   10.779   67.482   10.779   0.0000   0.0000   97.869   8.1274  ?   ?       ?      ? 
1 1 1  -42    8    7 o  113.134   7.8580   89.814   12.047   89.814   12.047   0.0000   0.0000  113.134   7.8580  ?   ?       ?      ? 
1 1 1  -42    8    8 o   71.897   9.6080   36.865   9.3611   36.865   9.3611   0.0000   0.0000   71.897   9.6080  ?   ?       ?      ? 
1 1 1  -42    8    9 o   98.004   8.1056   67.481   10.765   67.481   10.765   0.0000   0.0000   98.004   8.1056  ?   ?       ?      ? 
1 1 1  -42    8   10 o  160.306   5.4366  179.473   11.666  177.504   15.321  182.188   17.997  159.648   7.0820  160.963   8.2505 -1.315598 10.87315 
1 1 1  -42    8   11 f  122.110   4.9395  104.624   8.0235   98.541   12.377  109.033   10.537  118.681   7.6960  125.538   6.1939 -6.856865 9.878938 
1 1 1  -42    8   12 o  115.064   5.0094   90.770   7.7177  101.023   12.089   83.716   10.027  120.321   7.4140  109.808   6.7385 10.51271 10.01875 
1 1 1  -42    8   13 o  114.635   5.8140   91.694   8.9863   86.716   12.006   98.035   13.551  111.244   7.9642  118.026   8.4723 -6.781914 11.62790 
1 1 1  -42    8   14 o   29.190   7.9959   4.5336   4.4344   6.2255   5.2124   0.1008   8.4369   30.439   10.458   27.940   12.098 2.498589 15.99175 
1 1 1  -42    8   15 o  148.850   5.3874  152.435   10.867  152.435   10.867   0.0000   0.0000  148.850   5.3874  ?   ?       ?      ? 
1 1 1  -42    8   16 o   78.497   6.4837   47.181   6.0335   52.646   7.2798   35.190   10.783   87.280   6.1549   69.714   11.414 17.56634 12.96745 
1 1 1  -42    8   17 o  114.277   5.1911   89.416   7.4230   86.954   8.8785   95.137   13.530  112.286   5.8349  116.268   8.5875 -3.982216 10.38221 
1 1 1  -42    8   18 o   39.754   8.6129   11.087   4.7606   10.080   5.6805   13.464   8.7257   37.000   10.714   42.508   13.489 -5.508442 17.22572 
1 1 1  -42    8   19 o  178.915   5.3765  220.768   12.615  213.152   15.837  233.990   20.867  175.350   6.6646  182.481   8.4385 -7.131531 10.75297 
1 1 1  -42    8   20 o  102.265   5.9138   73.088   8.0235   71.735   10.309   75.166   12.778  101.422   7.5010  103.109   9.1448 -1.687187 11.82761 
1 1 1  -42    8   21 o   85.701   6.4890   52.752   7.2975   55.772   9.4102   48.195   11.558   89.335   7.7732   82.068   10.393 7.266647 12.97809 
1 1 1  -42    8   22 o  110.557   5.9223   85.612   8.6464   84.832   11.042   86.850   13.902  110.340   7.3847  110.774   9.2607 -0.4338608 11.84459 
1 1 1  -42    8   23 o  176.593   5.5611  218.013   12.912  217.751   16.403  218.441   20.936  177.128   6.8338  176.058   8.7752 1.069885 11.12225 
1 1 1  -42    8   24 o   50.981   9.5179   19.605   6.6982   15.879   8.9837   24.268   10.052   45.692   13.542   56.270   13.378 -10.57751 19.03571 
1 1 1  -42    8   25 o  127.903   5.8398  112.368   9.9626  101.829   12.793  128.613   15.882  120.671   7.8230  135.135   8.6725 -14.46449 11.67960 
1 1 1  -42    8   26 o   79.292   6.3884   43.113   6.4398   40.744   7.7676   48.319   11.517   76.421   7.5006   82.163   10.344 -5.741646 12.77683 
1 1 1  -42    8   27 o  142.566   5.3157  141.734   9.4291  141.585   11.302  142.075   17.102  143.273   5.8213  141.859   8.8961 1.414688 10.63147 
1 1 1  -42    8   28 o   28.193   8.2574   2.4073   5.1114   3.9299   6.3840  -0.3122   8.5317   28.630   11.249   27.755   12.091 0.8747063 16.51474 
1 1 1  -42    8   29 o  120.415   5.4413   99.293   8.2819   95.708   9.9724  107.261   14.867  117.616   6.2568  123.215   8.9041 -5.598785 10.88254 
1 1 1  -42    8   30 o  111.450   6.3651   86.015   9.6132   86.015   9.6132   0.0000   0.0000  111.450   6.3651  ?   ?       ?      ? 
1 1 1  -42    8   31 f  118.248   5.6928   94.086   8.4427   87.921   10.040  108.974   15.602  112.581   6.5807  123.915   9.2912 -11.33392 11.38561 
1 1 1  -42    8   32 o  146.776   5.3008  145.442   9.7663  137.514   11.645  164.246   17.933  141.014   6.0937  152.538   8.6754 -11.52342 10.60169 
1 1 1  -42    8   33 o   91.568   6.4479   61.262   7.3770   64.733   9.0303   54.299   12.791   96.458   6.9084   86.678   10.889 9.780106 12.89589 
1 1 1  -42    8   34 o   66.588   7.4591   30.570   6.4618   27.319   7.9311   36.990   11.144   61.943   9.4484   71.234   11.545 -9.290398 14.91815 
1 1 1  -42    8   35 o  114.560   5.8286   92.911   8.4570   93.908   10.325   90.878   14.742  116.295   6.5514  112.825   9.6421 3.470451 11.65726 
1 1 1  -42    8   36 o  113.978   5.7246   87.786   8.3348   81.118   10.059  102.394   14.888  107.933   6.8771  120.023   9.1538 -12.09035 11.44930 
1 1 1  -42    8   37 o  179.059   5.3435  217.734   11.953  207.369   14.219  242.702   22.070  173.064   6.0630  185.054   8.8007 -11.98950 10.68697 
1 1 1  -42    8   38 o   91.862   6.5194   60.662   7.6031   61.839   9.3320   58.340   13.113   94.025   7.3240   89.699   10.787 4.326401 13.03874 
1 1 1  -42    8   39 o   95.158   6.8888   63.552   8.7598   50.989   11.566   80.453   13.415   84.139   10.144  106.178   9.3233 -22.03933 13.77765 
1 1 1  -42    8   40 o  140.537   6.0967  140.303   11.483  142.175   15.235  137.841   17.473  142.116   7.9105  138.958   9.2792 3.158127 12.19344 
1 1 1  -42    8   41 o   95.844   6.5977   64.027   8.4294   56.992   10.799   74.997   13.486   89.499   8.9037  102.189   9.7386 -12.69067 13.19533 
1 1 1  -42    8   42 o  188.929   5.8373  253.001   14.453  254.837   18.323  249.978   23.514  190.883   7.0833  186.975   9.2802 3.907944 11.67452 
1 1 1  -42    8   43 o  110.519   6.4815   87.376   9.4451   87.677   12.081   86.903   15.149  111.449   7.9991  109.588   10.201 1.860870 12.96293 
1 1 1  -42    8   44 o  132.236   6.0610  123.258   10.570  119.929   13.418  128.702   17.160  130.570   7.5835  133.901   9.4568 -3.330475 12.12192 
1 1 1  -42    8   45 o   35.194   13.427   7.6726   8.9005   7.6726   8.9005   0.0000   0.0000   35.194   13.427  ?   ?       ?      ? 
1 1 1  -42    8   46 o  139.369   7.5247  136.728   14.211  136.728   14.211   0.0000   0.0000  139.369   7.5247  ?   ?       ?      ? 
1 1 1  -42    8   47 o   75.800   8.1874   43.269   7.9802   44.553   10.323   41.361   12.581   78.548   9.6977   73.052   13.194 5.495956 16.37484 
1 1 1  -42    8   48 o  107.713   6.6432   83.540   9.5160   83.545   12.355   83.533   14.920  108.345   8.4152  107.080   10.282 1.265671 13.28649 
1 1 1  -42    8   49 o   60.565   9.2761   29.074   7.4805   33.028   9.9428   23.916   11.356   66.967   10.956   54.163   14.971 12.80461 18.55217 
1 1 1  -42    8   50 o   54.156   9.7420   23.210   7.0914   21.971   9.2733   24.955   11.005   52.787   13.040   55.525   14.477 -2.737850 19.48403 
1 1 1  -42    8   51 o   40.298   10.392   11.443   7.9415   2.5278   12.658   17.229   10.198   34.251   14.825   46.345   14.568 -12.09373 20.78440 
1 1 1  -42    8   52 o   36.951   9.4782   5.7292   7.8329 -13.6441   12.342   18.796   10.136   25.693   12.321   48.208   14.406 -22.51464 18.95639 
1 1 1  -42    8   53 o   61.408   10.885   30.563   8.9623   36.602   13.962   26.331   11.688   66.306   15.769   56.511   15.010 9.794949 21.77014 
1 1 1  -42    8   54 o   72.872   13.511   41.985   12.851   0.0000   0.0000   41.985   12.851  ?   ?    72.872   13.511      ?      ? 
1 1 1  -42    8   55 o   93.840   11.202   65.753   14.246   0.0000   0.0000   65.753   14.246  ?   ?    93.840   11.202      ?      ? 
1 1 1  -42    8   56 o  110.830   8.1263   93.694   11.962   78.980   17.574  106.395   16.327  101.271   12.806  120.390   10.008 -19.11830 16.25253 
1 1 1  -42    8   57 o   43.593   11.192   14.640   8.4855   18.580   13.044   11.749   11.173   47.130   16.524   40.056   15.101 7.074024 22.38462 
1 1 1  -42    8   58 o   43.223   10.855   12.747   8.5395   24.485   12.986   3.8030   11.335   53.087   16.398   33.359   14.226 19.72798 21.70922 
1 1 1  -42    8   59 o   65.589   11.310   36.662   10.026   44.711   14.808   29.849   13.624   72.867   15.474   58.311   16.499 14.55625 22.62034 
1 1 1  -42    8   60 o   63.963   17.096   36.592   15.103   36.592   15.103   0.0000   0.0000   63.963   17.096  ?   ?       ?      ? 
1 1 1  -42    8   61 o  118.631   8.1876  108.904   12.960   93.975   18.906  122.139   17.801  109.418   12.750  127.844   10.275 -18.42602 16.37515 
1 1 1  -42    8   62 o   30.163   9.6715  -1.7365   8.5110  -3.2783   12.980  -0.5738   11.272   30.346   13.917   29.981   13.434 0.3651447 19.34300 
1 1 1  -42    8   63 o   42.100   10.564   11.474   9.0117  -3.9073   12.778   26.693   12.711   29.692   13.687   54.508   16.096 -24.81649 21.12893 
1 1 1  -42    8   64 o   53.904   12.187   27.505   10.163   23.933   14.707   30.771   14.061   50.294   17.551   57.515   16.915 -7.220810 24.37463 
1 1 1  -42    8   65 o   84.140   10.688   61.398   11.550   37.488   15.884   88.217   16.823   62.216   17.887  106.063   11.705 -43.84691 21.37599 
1 1 1  -42    8   66 o   67.086   11.828   41.930   10.784   47.926   15.453   36.238   15.056   72.798   16.092   61.373   17.338 11.42469 23.65500 
1 1 1  -42    8   67 o  104.773   12.647   89.398   17.956   0.0000   0.0000   89.398   17.956  ?   ?   104.773   12.647      ?      ? 
1 1 1  -42    8   68 o   81.993   15.720   60.968   16.831   0.0000   0.0000   60.968   16.831  ?   ?    81.993   15.720      ?      ? 
1 1 1  -42    8   69 o   64.307   17.508   41.590   15.667   0.0000   0.0000   41.590   15.667  ?   ?    64.307   17.508      ?      ? 
1 1 1  -42    8   70 o   56.904   17.946   34.613   15.464   0.0000   0.0000   34.613   15.464  ?   ?    56.904   17.946      ?      ? 
1 1 1  -42    8   71 o  113.892   12.869  110.616   19.863   0.0000   0.0000  110.616   19.863  ?   ?   113.892   12.869      ?      ? 
1 1 1  -42    9    1 o  102.108   8.6978   74.341   12.035   74.341   12.035   0.0000   0.0000  102.108   8.6978  ?   ?       ?      ? 
1 1 1  -42    9    3 o  128.901   7.6265  116.993   13.322  116.993   13.322   0.0000   0.0000  128.901   7.6265  ?   ?       ?      ? 
1 1 1  -42    9    4 o  151.810   7.3022  161.697   15.022  161.697   15.022   0.0000   0.0000  151.810   7.3022  ?   ?       ?      ? 
1 1 1  -42    9    5 o  118.299   7.6688   98.491   12.294   98.491   12.294   0.0000   0.0000  118.299   7.6688  ?   ?       ?      ? 
1 1 1  -42    9    6 o  105.636   7.9464   78.712   11.375   78.712   11.375   0.0000   0.0000  105.636   7.9464  ?   ?       ?      ? 
1 1 1  -42    9    7 o   97.737   8.3413   67.618   11.048   67.618   11.048   0.0000   0.0000   97.737   8.3413  ?   ?       ?      ? 
1 1 1  -42    9    8 o  122.418   7.6466  105.315   12.685  105.315   12.685   0.0000   0.0000  122.418   7.6466  ?   ?       ?      ? 
1 1 1  -42    9    9 o   23.889   10.862  -3.4903   7.6875  -3.4903   7.6875   0.0000   0.0000   23.889   10.862  ?   ?       ?      ? 
1 1 1  -42    9   10 o   99.616   8.1865   70.047   11.051   70.047   11.051   0.0000   0.0000   99.616   8.1865  ?   ?       ?      ? 
1 1 1  -42    9   11 o   66.910   10.287   32.318   9.3272   32.318   9.3272   0.0000   0.0000   66.910   10.287  ?   ?       ?      ? 
1 1 1  -42    9   12 o   37.008   13.142   9.4947   8.2725   9.4947   8.2725   0.0000   0.0000   37.008   13.142  ?   ?       ?      ? 
1 1 1  -42    9   13 o  132.111   7.4585  122.260   13.353  122.260   13.353   0.0000   0.0000  132.111   7.4585  ?   ?       ?      ? 
1 1 1  -42    9   14 o   79.812   9.2322   45.384   9.9852   45.384   9.9852   0.0000   0.0000   79.812   9.2322  ?   ?       ?      ? 
1 1 1  -42    9   15 o   49.911   8.1441   18.463   5.0406   17.969   6.0032   19.644   9.2807   49.534   9.2844   50.287   13.383 -0.7532310 16.28829 
1 1 1  -42    9   16 o  103.678   6.0540   74.429   8.5057   74.429   8.5057   0.0000   0.0000  103.678   6.0540  ?   ?       ?      ? 
1 1 1  -42    9   17 o  110.850   5.8967   84.982   8.8578   84.982   8.8578   0.0000   0.0000  110.850   5.8967  ?   ?       ?      ? 
1 1 1  -42    9   18 o  106.245   5.4362   78.890   7.1453   78.493   8.5225   79.828   13.109  106.536   5.9032  105.953   9.1302 0.5823212 10.87240 
1 1 1  -42    9   19 o   77.257   6.4270   43.190   6.1018   44.406   7.3167   40.411   11.058   79.882   6.7590   74.632   10.933 5.250130 12.85394 
1 1 1  -42    9   20 o   95.167   5.4971   58.721   6.5828   51.434   7.7799   77.085   12.351   86.001   6.6756  104.334   8.7355 -18.33353 10.99420 
1 1 1  -42    9   21 o   40.534   8.3524   13.206   5.1180   16.539   6.1592   5.7698   9.1994   47.267   9.9313   33.800   13.432 13.46724 16.70479 
1 1 1  -42    9   22 o   93.543   6.2045   65.884   7.0778   72.922   8.6568   51.694   12.292  102.572   6.2280   84.515   10.733 18.05666 12.40907 
1 1 1  -42    9   23 o   71.073   7.3777   38.786   6.2300   42.402   7.6230   31.513   10.811   77.914   7.2199   64.233   12.868 13.68054 14.75546 
1 1 1  -42    9   24 o  100.858   5.6681   69.642   7.2490   66.290   8.7334   77.067   12.998   97.657   6.5993  104.058   9.2174 -6.400681 11.33623 
1 1 1  -42    9   25 o  103.423   6.4084   76.456   8.8728   79.379   11.830   72.698   13.416  106.120   8.2260  100.726   9.8286 5.394669 12.81671 
1 1 1  -42    9   26 o  107.604   6.2494   79.724   8.9717   64.652   11.656  101.629   14.053   95.391   9.0172  119.817   8.6549 -24.42612 12.49873 
1 1 1  -42    9   27 o   53.523   8.4183   22.221   5.7566   23.849   7.0200   18.878   10.058   57.953   8.9388   49.094   14.268 8.859440 16.83669 
1 1 1  -42    9   28 o   68.682   7.2201   30.228   6.1460   20.112   7.4238   52.266   10.957   51.815   10.917   85.549   9.4517 -33.73450 14.44024 
1 1 1  -42    9   29 f  137.425   5.4980  134.228   9.4831  137.081   11.520  128.232   16.703  140.682   6.0426  134.167   9.1868 6.515533 10.99591 
1 1 1  -42    9   30 o   41.679   9.2720   13.150   5.7342   13.601   7.1552   12.340   9.5870   42.313   11.952   41.044   14.179 1.268551 18.54407 
1 1 1  -42    9   31 o   74.828   8.1458   39.495   8.2601   39.495   8.2601   0.0000   0.0000   74.828   8.1458  ?   ?       ?      ? 
1 1 1  -42    9   32 o  104.229   6.2310   80.348   8.0677   86.508   9.8970   68.147   13.929  111.512   6.5494   96.947   10.602 14.56456 12.46193 
1 1 1  -42    9   33 o   41.828   8.8513   13.838   5.7362   17.845   7.2111   6.9326   9.4658   48.583   11.185   35.074   13.722 13.50900 17.70260 
1 1 1  -42    9   34 o  124.630   5.5366  106.705   8.7638  101.961   10.583  117.062   15.635  121.079   6.4496  128.181   9.0010 -7.101631 11.07318 
1 1 1  -42    9   35 o   94.972   6.9734   71.780   7.8483   85.389   9.7431   46.632   13.244  110.771   6.4907   79.174   12.344 31.59664 13.94675 
1 1 1  -42    9   36 o  109.505   6.3381   86.034   9.1931   88.397   11.933   82.584   14.420  111.993   7.8626  107.017   9.9431 4.975990 12.67616 
1 1 1  -42    9   37 o  109.874   6.2140   83.164   9.0914   70.954   11.620  102.430   14.597   99.940   8.5802  119.808   8.9909 -19.86778 12.42803 
1 1 1  -42    9   38 o  153.267   5.8884  167.927   11.845  172.821   15.145  160.220   19.007  157.081   7.1149  149.454   9.3847 7.626984 11.77686 
1 1 1  -42    9   39 o  140.215   5.8729  137.867   10.878  132.662   13.814  146.363   17.650  137.399   7.4193  143.030   9.1060 -5.631226 11.74581 
1 1 1  -42    9   40 o   61.331   10.737   30.819   8.8025   28.279   13.924   32.509   11.360   58.150   16.755   64.512   13.432 -6.361465 21.47430 
1 1 1  -42    9   41 o  106.512   6.5071   81.723   9.1543   83.129   11.790   79.590   14.526  108.374   8.0283  104.649   10.243 3.724571 13.01420 
1 1 1  -42    9   42 o  100.474   6.6456   72.194   8.8968   70.210   11.519   75.128   14.007   99.272   8.5623  101.676   10.166 -2.404282 13.29128 
1 1 1  -42    9   43 o   50.131   9.8599   20.028   6.8884   20.079   9.0195   19.957   10.671   50.520   13.074   49.741   14.763 0.7796745 19.71983 
1 1 1  -42    9   44 o   37.344   9.4455   7.7422   6.4598   1.1209   8.4453   17.079   10.028   28.376   12.195   46.313   14.428 -17.93733 18.89107 
1 1 1  -42    9   45 o   81.084   9.4888   47.487   10.426   47.487   10.426   0.0000   0.0000   81.084   9.4888  ?   ?       ?      ? 
1 1 1  -42    9   46 o  123.418   7.8003  107.881   13.046  107.881   13.046   0.0000   0.0000  123.418   7.8003  ?   ?       ?      ? 
1 1 1  -42    9   47 o   64.691   10.570   34.567   9.1175   29.102   13.428   39.241   12.419   58.750   16.296   70.632   13.466 -11.88206 21.14004 
1 1 1  -42    9   48 o   48.895   9.8168   17.718   8.5599  -1.2347   12.461   34.652   11.779   31.666   14.161   66.124   13.599 -34.45830 19.63360 
1 1 1  -42    9   49 o  103.053   8.0950   79.059   11.221   81.563   17.007   77.128   14.933  103.957   12.072  102.149   10.788 1.808563 16.18993 
1 1 1  -42    9   50 o   41.089   10.859   11.053   8.1016   18.441   13.026   6.3923   10.346   47.371   16.518   34.806   14.102 12.56436 21.71850 
1 1 1  -42    9   51 o   44.713   10.793   16.113   8.1885   9.8288   12.591   20.718   10.780   39.307   15.685   50.119   14.830 -10.81178 21.58518 
1 1 1  -42    9   52 o   34.991   10.106   5.9612   7.7822   1.2009   11.660   9.7851   10.451   32.081   14.051   37.900   14.528 -5.819866 20.21122 
1 1 1  -42    9   53 f   43.975   11.030   15.321   8.5132   9.8805   12.538   19.975   11.596   39.141   15.640   48.809   15.556 -9.668140 22.05950 
1 1 1  -42    9   54 o   50.699   16.062   21.998   12.377   0.0000   0.0000   21.998   12.377  ?   ?    50.699   16.062      ?      ? 
1 1 1  -42    9   55 o  104.306   11.532   82.479   16.300   0.0000   0.0000   82.479   16.300  ?   ?   104.306   11.532      ?      ? 
1 1 1  -42    9   56 o   33.272   10.195   2.6016   8.5358   5.8886   12.310  -0.4426   11.846   35.581   14.983   30.963   13.830 4.617914 20.39021 
1 1 1  -42    9   57 o   50.224   10.984   21.151   9.5223   6.0783   13.869   34.591   13.097   36.769   15.710   63.679   15.356 -26.90994 21.96788 
1 1 1  -42    9   58 o   54.252   10.951   25.825   9.5037   11.358   13.761   39.018   13.141   40.273   16.282   68.231   14.650 -27.95832 21.90226 
1 1 1  -42    9   59 o   91.647   9.7513   68.225   11.659   56.615   16.279   80.451   16.706   81.669   15.271  101.625   12.131 -19.95614 19.50262 
1 1 1  -42    9   60 o   48.561   17.229   21.581   14.216   21.581   14.216   0.0000   0.0000   48.561   17.229  ?   ?       ?      ? 
1 1 1  -42    9   61 o  129.603   8.3949  132.347   14.524  111.388   20.785  152.344   20.302  117.714   13.030  141.491   10.588 -23.77725 16.78971 
1 1 1  -42    9   62 o   31.614   9.9378  -1.4282   8.9504   8.8642   12.973 -10.7781   12.365   37.228   15.508   25.999   12.431 11.22826 19.87557 
1 1 1  -42    9   63 o   75.144   11.493   51.198   11.374   46.776   16.061   55.646   16.109   70.877   16.951   79.411   15.526 -8.534149 22.98642 
1 1 1  -42    9   64 o   47.358   12.075   21.372   9.9579   17.651   13.607   25.663   14.612   43.869   16.634   50.846   17.508 -6.977322 24.14989 
1 1 1  -42    9   65 o   61.391   12.288   37.217   10.736   33.400   15.047   41.176   15.323   57.592   17.629   65.189   17.124 -7.596996 24.57665 
1 1 1  -42    9   66 o   47.578   12.012   22.269   9.9494   16.611   13.623   28.739   14.566   42.261   16.481   52.895   17.479 -10.63339 24.02407 
1 1 1  -42    9   67 o   47.783   17.698   24.207   15.213   0.0000   0.0000   24.207   15.213  ?   ?    47.783   17.698      ?      ? 
1 1 1  -42    9   68 o   71.809   17.115   51.494   16.418   0.0000   0.0000   51.494   16.418  ?   ?    71.809   17.115      ?      ? 
1 1 1  -42    9   69 o  103.023   13.233   92.148   18.475   0.0000   0.0000   92.148   18.475  ?   ?   103.023   13.233      ?      ? 
1 1 1  -42    9   70 o   39.039   16.238   14.695   14.191   0.0000   0.0000   14.695   14.191  ?   ?    39.039   16.238      ?      ? 
1 1 1  -42   10    1 o   47.288   12.813   17.624   8.4149   17.624   8.4149   0.0000   0.0000   47.288   12.813  ?   ?       ?      ? 
1 1 1  -42   10    2 o   49.329   12.427   19.032   8.3029   19.032   8.3029   0.0000   0.0000   49.329   12.427  ?   ?       ?      ? 
1 1 1  -42   10    3 o   94.318   8.4458   63.449   10.795   63.449   10.795   0.0000   0.0000   94.318   8.4458  ?   ?       ?      ? 
1 1 1  -42   10    4 o  138.126   7.3053  134.310   13.674  134.310   13.674   0.0000   0.0000  138.126   7.3053  ?   ?       ?      ? 
1 1 1  -42   10    5 o   77.953   9.4192   43.813   9.9502   43.813   9.9502   0.0000   0.0000   77.953   9.4192  ?   ?       ?      ? 
1 1 1  -42   10    6 f  158.052   7.2166  175.567   15.457  175.567   15.457   0.0000   0.0000  158.052   7.2166  ?   ?       ?      ? 
1 1 1  -42   10    7 o   55.541   12.575   23.974   9.2447   23.974   9.2447   0.0000   0.0000   55.541   12.575  ?   ?       ?      ? 
1 1 1  -42   10    8 o  141.395   7.5048  140.822   14.380  140.822   14.380   0.0000   0.0000  141.395   7.5048  ?   ?       ?      ? 
1 1 1  -42   10    9 o   94.966   8.6061   64.258   11.075   64.258   11.075   0.0000   0.0000   94.966   8.6061  ?   ?       ?      ? 
1 1 1  -42   10   10 o  112.607   8.0225   89.738   12.242   89.738   12.242   0.0000   0.0000  112.607   8.0225  ?   ?       ?      ? 
1 1 1  -42   10   11 o   72.817   9.8875   38.337   9.7568   38.337   9.7568   0.0000   0.0000   72.817   9.8875  ?   ?       ?      ? 
1 1 1  -42   10   12 o  228.224   7.2924  365.713   22.553  365.713   22.553   0.0000   0.0000  228.224   7.2924  ?   ?       ?      ? 
1 1 1  -42   10   13 o   28.963   12.150   2.3272   8.0453   2.3272   8.0453   0.0000   0.0000   28.963   12.150  ?   ?       ?      ? 
1 1 1  -42   10   14 o  103.082   8.2172   75.275   11.479   75.275   11.479   0.0000   0.0000  103.082   8.2172  ?   ?       ?      ? 
1 1 1  -42   10   15 o  162.787   7.3648  186.087   16.247  186.087   16.247   0.0000   0.0000  162.787   7.3648  ?   ?       ?      ? 
1 1 1  -42   10   16 o   98.369   8.3983   68.655   11.195   68.655   11.195   0.0000   0.0000   98.369   8.3983  ?   ?       ?      ? 
1 1 1  -42   10   17 o  105.228   8.1990   78.387   11.692   78.387   11.692   0.0000   0.0000  105.228   8.1990  ?   ?       ?      ? 
1 1 1  -42   10   18 o  116.072   7.9070   95.081   12.437   95.081   12.437   0.0000   0.0000  116.072   7.9070  ?   ?       ?      ? 
1 1 1  -42   10   19 o   38.942   13.337   11.114   8.4748   11.114   8.4748   0.0000   0.0000   38.942   13.337  ?   ?       ?      ? 
1 1 1  -42   10   20 o   95.623   8.5921   64.986   11.134   64.986   11.134   0.0000   0.0000   95.623   8.5921  ?   ?       ?      ? 
1 1 1  -42   10   21 o  110.914   5.3375   82.544   7.5013   75.922   8.9764   97.875   13.658  104.472   6.3404  117.355   8.5881 -12.88323 10.67503 
1 1 1  -42   10   22 o   92.584   5.8665   59.915   6.8623   58.488   8.2888   63.024   12.235   91.565   6.6800   93.602   9.6458 -2.037079 11.73303 
1 1 1  -42   10   23 o   42.500   9.1564   13.055   5.4469   11.356   6.5810   16.751   9.7054   38.805   11.611   46.196   14.161 -7.390450 18.31277 
1 1 1  -42   10   24 o  122.790   5.2955  101.816   8.2559   94.636   9.9147  118.055   14.910  116.667   6.2712  128.914   8.5347 -12.24684 10.59100 
1 1 1  -42   10   25 o  113.891   5.3840   86.448   7.8178   77.896   9.3828  105.866   14.138  105.721   6.5492  122.062   8.5474 -16.34059 10.76802 
1 1 1  -42   10   26 o   73.394   7.6290   39.165   7.5687   35.753   10.350   43.088   11.097   69.906   10.925   76.883   10.651 -6.976860 15.25794 
1 1 1  -42   10   27 o  156.730   5.6127  171.326   11.638  163.859   14.799  183.432   18.842  152.915   7.1415  160.545   8.6608 -7.629684 11.22542 
1 1 1  -42   10   28 f   97.561   6.3217   65.709   8.2163   55.027   10.536   82.289   13.126   87.827   8.8522  107.295   9.0275 -19.46717 12.64349 
1 1 1  -42   10   29 o   44.849   9.7223   15.305   6.4520   12.558   8.5055   19.028   9.9020   40.736   13.352   48.962   14.136 -8.225029 19.44455 
1 1 1  -42   10   30 o  242.054   5.8910  414.746   18.679  411.766   23.579  419.767   30.608  242.295   7.1813  241.813   9.3405 0.4817810 11.78200 
1 1 1  -42   10   31 o   62.244   11.370   29.239   9.2375   29.239   9.2375   0.0000   0.0000   62.244   11.370  ?   ?       ?      ? 
1 1 1  -42   10   32 o  112.091   7.6747   88.598   11.658   88.598   11.658   0.0000   0.0000  112.091   7.6747  ?   ?       ?      ? 
1 1 1  -42   10   33 o   85.426   7.1045   53.649   7.9653   56.473   10.276   49.398   12.607   89.073   8.5133   81.778   11.376 7.295029 14.20894 
1 1 1  -42   10   34 o  132.919   6.0493  127.412   10.527  132.759   13.471  119.023   16.873  137.475   7.2309  128.363   9.7000 9.111694 12.09856 
1 1 1  -42   10   35 o   46.055   9.4757   16.947   7.1258   25.533   9.3675   5.1547   10.978   57.458   12.395   34.653   14.336 22.80544 18.95148 
1 1 1  -42   10   36 f  159.740   5.9649  181.788   12.525  182.145   15.933  181.208   20.264  160.913   7.3065  158.567   9.4305 2.345566 11.92977 
1 1 1  -42   10   37 o   76.620   7.8440   41.520   7.9739   33.659   10.151   54.188   12.886   67.543   11.090   85.697   11.096 -18.15421 15.68802 
1 1 1  -42   10   38 o  119.603   6.4080  103.345   10.094  105.635   12.958   99.812   16.096  122.157   7.8281  117.049   10.147 5.108360 12.81599 
1 1 1  -42   10   39 o   96.003   6.8379   64.362   8.6951   55.929   10.969   78.622   14.263   88.152   9.1822  103.854   10.135 -15.70226 13.67579 
1 1 1  -42   10   40 o   39.283   9.8360   8.9509   7.9205  -6.3905   12.182   20.187   10.425   28.645   13.260   49.920   14.531 -21.27457 19.67193 
1 1 1  -42   10   41 o   50.586   11.015   21.283   8.3639   18.320   12.610   23.611   11.176   47.465   16.268   53.708   14.856 -6.243584 22.03065 
1 1 1  -42   10   42 o  132.236   7.2635  129.010   12.890  116.320   18.855  140.144   17.660  125.245   11.109  139.227   9.3605 -13.98215 14.52709 
1 1 1  -42   10   43 o   87.215   9.3414   60.634   10.274   44.481   15.062   74.687   14.049   73.487   15.607  100.944   10.270 -27.45626 18.68275 
1 1 1  -42   10   44 o   90.739   8.4461   62.293   10.298   59.373   15.304   64.709   13.920   88.093   12.820   93.386   11.000 -5.292793 16.89230 
1 1 1  -42   10   45 o   46.724   16.268   17.827   12.632   17.827   12.632   0.0000   0.0000   46.724   16.268  ?   ?       ?      ? 
1 1 1  -42   10   46 o   92.516   12.372   65.188   15.511   65.188   15.511   0.0000   0.0000   92.516   12.372  ?   ?       ?      ? 
1 1 1  -42   10   47 o   51.566   11.225   22.490   8.6142   21.956   12.518   22.971   11.872   50.888   16.157   52.244   15.587 -1.356506 22.45000 
1 1 1  -42   10   48 o   48.788   11.182   20.040   8.6052   15.859   12.570   23.728   11.805   44.527   16.152   53.048   15.469 -8.521046 22.36460 
1 1 1  -42   10   49 o   92.214   9.4457   67.688   11.255   57.489   16.580   76.405   15.328   83.546   15.205  100.883   11.212 -17.33746 18.89149 
1 1 1  -42   10   50 o   97.926   9.1570   76.300   11.389   57.465   16.454   93.628   15.782   83.484   15.099  112.368   10.364 -28.88412 18.31407 
1 1 1  -42   10   51 o   77.722   9.8668   48.352   10.170   52.196   14.826   44.935   13.978   81.396   13.441   74.049   14.448 7.347221 19.73359 
1 1 1  -42   10   52 o   52.232   11.418   23.530   8.9406   27.984   13.190   19.744   12.161   56.474   16.317   47.990   15.976 8.483589 22.83649 
1 1 1  -42   10   53 o   35.496   10.493   6.2919   8.4231   7.2350   12.376   5.4781   11.497   36.497   15.171   34.495   14.500 2.001823 20.98585 
1 1 1  -42   10   54 o   58.303   16.090   29.956   13.129   0.0000   0.0000   29.956   13.129  ?   ?    58.303   16.090      ?      ? 
1 1 1  -42   10   55 o   67.712   9.9311   40.707   10.157   10.912   14.551   69.013   14.183   40.147   16.548   95.278   10.985 -55.13080 19.86212 
1 1 1  -42   10   56 o   53.218   11.434   23.808   9.5086   38.548   14.654   13.090   12.497   65.562   16.505   40.874   15.828 24.68767 22.86823 
1 1 1  -42   10   57 o   36.741   10.497   7.4464   8.6770  -1.6243   12.627   15.561   11.943   30.615   13.920   42.867   15.714 -12.25233 20.99300 
1 1 1  -42   10   58 o   97.222   9.1745   76.755   11.906   67.465   17.413   84.911   16.315   90.019   14.274  104.425   11.529 -14.40601 18.34891 
1 1 1  -42   10   59 o   25.916   12.404 -10.9081   12.378 -10.9081   12.378   0.0000   0.0000   25.916   12.404  ?   ?       ?      ? 
1 1 1  -42   10   60 o   41.003   16.265   14.005   13.466   14.005   13.466   0.0000   0.0000   41.003   16.265  ?   ?       ?      ? 
1 1 1  -42   10   61 o   31.956   10.073   1.9973   8.8670   3.7624   12.205   0.0243   12.904   32.751   14.359   31.162   14.131 1.588751 20.14640 
1 1 1  -42   10   62 o   54.873   10.762   26.594   10.203   5.3403   14.069   50.170   14.818   34.787   15.330   74.959   15.109 -40.17191 21.52419 
1 1 1  -42   10   63 o   42.978   11.722   17.486   9.7072   19.838   13.731   15.137   13.725   44.945   16.780   41.011   16.372 3.934723 23.44425 
1 1 1  -42   10   64 o   33.476   10.097   2.1476   8.9179   16.338   12.926 -10.7430   12.320   41.639   16.105   25.312   12.182 16.32662 20.19373 
1 1 1  -42   10   65 o   38.491   11.088   12.591   9.2884   17.183   13.017   7.8276   13.258   41.966   16.181   35.017   15.164 6.949680 22.17612 
1 1 1  -42   10   66 o   30.187   9.6419  -1.0812   8.6881 -10.0696   11.787   9.6117   12.856   24.673   11.885   35.701   15.186 -11.02787 19.28384 
1 1 1  -42   10   67 o   68.555   16.850   48.175   15.543   0.0000   0.0000   48.175   15.543  ?   ?    68.555   16.850      ?      ? 
1 1 1  -42   11    1 o   34.095   14.125   5.3500   10.679   5.3500   10.679   0.0000   0.0000   34.095   14.125  ?   ?       ?      ? 
1 1 1  -42   11    2 o   68.151   15.095   38.300   13.573   38.300   13.573   0.0000   0.0000   68.151   15.095  ?   ?       ?      ? 
1 1 1  -42   11    3 f   89.177   12.234   60.426   14.784   60.426   14.784   0.0000   0.0000   89.177   12.234  ?   ?       ?      ? 
1 1 1  -42   11    4 o   56.375   15.974   26.889   12.761   26.889   12.761   0.0000   0.0000   56.375   15.974  ?   ?       ?      ? 
1 1 1  -42   11    5 o  128.268   10.939  122.057   19.015  122.057   19.015   0.0000   0.0000  128.268   10.939  ?   ?       ?      ? 
1 1 1  -42   11    6 o   88.466   12.271   59.303   14.711   59.303   14.711   0.0000   0.0000   88.466   12.271  ?   ?       ?      ? 
1 1 1  -42   11    7 o   54.105   16.039   24.647   12.601   24.647   12.601   0.0000   0.0000   54.105   16.039  ?   ?       ?      ? 
1 1 1  -42   11    8 o  107.549   11.274   86.067   16.431   86.067   16.431   0.0000   0.0000  107.549   11.274  ?   ?       ?      ? 
1 1 1  -42   11    9 o   30.860   13.439   1.0158   10.530   1.0158   10.530   0.0000   0.0000   30.860   13.439  ?   ?       ?      ? 
1 1 1  -42   11   10 o   66.747   14.820   36.172   13.056   36.172   13.056   0.0000   0.0000   66.747   14.820  ?   ?       ?      ? 
1 1 1  -42   11   11 o   68.641   15.252   38.523   13.819   38.523   13.819   0.0000   0.0000   68.641   15.252  ?   ?       ?      ? 
1 1 1  -42   11   12 o  128.622   10.668  121.693   18.594  121.693   18.594   0.0000   0.0000  128.622   10.668  ?   ?       ?      ? 
1 1 1  -42   11   13 o   97.780   12.099   71.879   16.031   71.879   16.031   0.0000   0.0000   97.780   12.099  ?   ?       ?      ? 
1 1 1  -42   11   14 o   54.282   15.684   24.451   12.185   24.451   12.185   0.0000   0.0000   54.282   15.684  ?   ?       ?      ? 
1 1 1  -42   11   15 o   84.628   12.710   54.344   14.576   54.344   14.576   0.0000   0.0000   84.628   12.710  ?   ?       ?      ? 
1 1 1  -42   11   16 o   67.029   15.043   36.504   13.329   36.504   13.329   0.0000   0.0000   67.029   15.043  ?   ?       ?      ? 
1 1 1  -42   11   17 o  129.947   10.768  124.195   18.962  124.195   18.962   0.0000   0.0000  129.947   10.768  ?   ?       ?      ? 
1 1 1  -42   11   18 o   61.371   15.780   31.217   13.196   31.217   13.196   0.0000   0.0000   61.371   15.780  ?   ?       ?      ? 
1 1 1  -42   11   19 o  104.624   11.804   81.760   16.735   81.760   16.735   0.0000   0.0000  104.624   11.804  ?   ?       ?      ? 
1 1 1  -42   11   20 o  147.107   10.541  158.589   21.013  158.589   21.013   0.0000   0.0000  147.107   10.541  ?   ?       ?      ? 
1 1 1  -42   11   21 o   61.896   15.883   31.801   13.388   31.801   13.388   0.0000   0.0000   61.896   15.883  ?   ?       ?      ? 
1 1 1  -42   11   22 o  125.122   11.357  116.121   19.256  116.121   19.256   0.0000   0.0000  125.122   11.357  ?   ?       ?      ? 
1 1 1  -42   11   23 o  120.205   11.183  106.901   18.217  106.901   18.217   0.0000   0.0000  120.205   11.183  ?   ?       ?      ? 
1 1 1  -42   11   24 o   80.478   13.316   49.611   14.523   49.611   14.523   0.0000   0.0000   80.478   13.316  ?   ?       ?      ? 
1 1 1  -42   11   25 o  108.216   11.602   87.222   17.014   87.222   17.014   0.0000   0.0000  108.216   11.602  ?   ?       ?      ? 
1 1 1  -42   11   26 o   61.325   15.910   31.285   13.335   31.285   13.335   0.0000   0.0000   61.325   15.910  ?   ?       ?      ? 
1 1 1  -42   11   27 o   82.854   8.5938   50.852   9.5281   56.510   14.944   46.976   12.368   86.242   12.787   79.466   11.485 6.775711 17.18763 
1 1 1  -42   11   28 o   56.231   8.8515   25.492   6.6947   30.832   8.7781   18.066   10.351   65.098   9.9507   47.364   14.642 17.73436 17.70306 
1 1 1  -42   11   29 o  102.417   6.5130   76.372   8.8578   80.503   11.661   70.738   13.620  106.428   8.0853   98.407   10.213 8.021004 13.02606 
1 1 1  -42   11   30 o  123.955   5.9187  106.768   9.7728   94.975   12.497  125.338   15.681  115.659   7.9731  132.252   8.7496 -16.59225 11.83743 
1 1 1  -42   11   31 o   70.897   8.1368   36.716   7.5086   28.755   9.7853   48.115   11.709   60.950   12.272   80.844   10.688 -19.89425 16.27359 
1 1 1  -42   11   32 o   72.698   10.118   38.601   9.9675   38.601   9.9675   0.0000   0.0000   72.698   10.118  ?   ?       ?      ? 
1 1 1  -42   11   33 f   57.711   10.406   26.810   8.1751   32.363   12.277   22.385   10.958   63.137   14.634   52.284   14.799 10.85356 20.81263 
1 1 1  -42   11   34 o  107.498   7.6273   86.581   10.859   68.770   15.622  103.233   15.105   95.514   12.069  119.482   9.3289 -23.96844 15.25452 
1 1 1  -42   11   35 o   53.899   10.728   23.675   8.1524   27.989   12.319   20.313   10.874   58.035   15.406   49.763   14.934 8.271309 21.45621 
1 1 1  -42   11   36 o  100.382   7.7811   75.810   10.389   65.371   15.388   84.552   14.082   92.922   12.220  107.843   9.6358 -14.92055 15.56230 
1 1 1  -42   11   37 o  138.255   7.1681  141.411   13.264  123.425   19.316  157.463   18.247  128.858   11.061  147.652   9.1196 -18.79451 14.33613 
1 1 1  -42   11   38 o   82.031   8.8115   50.511   9.7212   59.252   14.785   43.854   12.902   88.263   12.361   75.799   12.561 12.46432 17.62305 
1 1 1  -42   11   39 o   63.294   10.450   33.187   8.8238   29.104   12.945   36.730   12.060   58.667   15.890   67.921   13.577 -9.253937 20.90023 
1 1 1  -42   11   40 o   82.030   11.160   50.259   12.406   0.0000   0.0000   50.259   12.406  ?   ?    82.030   11.160      ?      ? 
1 1 1  -42   11   41 o   44.936   10.084   16.096   7.8636   4.0381   12.075   24.975   10.362   34.399   14.677   55.473   13.832 -21.07391 20.16730 
1 1 1  -42   11   42 o   49.330   10.883   20.298   8.0391   21.530   11.958   19.283   10.859   50.455   15.761   48.204   15.013 2.250832 21.76697 
1 1 1  -42   11   43 o   63.749   10.344   32.663   8.8715   45.927   13.524   22.644   11.754   75.787   13.671   51.710   15.527 24.07660 20.68836 
1 1 1  -42   11   44 o   86.893   8.8935   58.672   10.345   53.561   15.305   62.971   14.037   82.387   13.709   91.399   11.333 -9.012222 17.78701 
1 1 1  -42   11   45 o  101.100   12.377   78.736   16.957   78.736   16.957   0.0000   0.0000  101.100   12.377  ?   ?       ?      ? 
1 1 1  -42   11   46 o   75.236   15.210   47.291   14.974   47.291   14.974   0.0000   0.0000   75.236   15.210  ?   ?       ?      ? 
1 1 1  -42   11   47 o   99.844   9.2084   80.900   11.428   56.970   16.716  101.897   15.658   82.243   15.569  117.446   9.8382 -35.20226 18.41675 
1 1 1  -42   11   48 o   56.489   11.380   27.604   9.0624   31.523   13.923   24.722   11.937   59.540   16.621   53.437   15.547 6.102829 22.75948 
1 1 1  -42   11   49 o  115.722   8.2230  104.557   12.547   88.943   18.885  116.897   16.789  105.948   13.153  125.496   9.8723 -19.54829 16.44605 
1 1 1  -42   11   50 o   60.273   10.817   33.199   9.4026   20.067   14.392   42.977   12.419   47.496   17.275   73.050   13.023 -25.55454 21.63382 
1 1 1  -42   11   51 o   78.510   10.281   52.792   10.380   40.890   15.589   62.273   13.914   67.024   17.106   89.996   11.409 -22.97228 20.56163 
1 1 1  -42   11   52 o   36.642   10.678   8.3024   8.5319   7.6328   13.020   8.8065   11.295   36.717   15.432   36.568   14.763 0.1492081 21.35622 
1 1 1  -42   11   53 o   57.941   11.803   30.960   9.7464   31.127   14.588   30.826   13.099   57.435   17.310   58.448   16.049 -1.013271 23.60504 
1 1 1  -42   11   54 o   73.826   14.733   46.732   14.223   0.0000   0.0000   46.732   14.223  ?   ?    73.826   14.733      ?      ? 
1 1 1  -42   11   55 o   54.461   11.784   27.821   9.6414   33.433   13.908   22.628   13.378   59.904   16.573   49.019   16.757 10.88503 23.56792 
1 1 1  -42   11   56 o   33.767   10.263   4.3526   8.5789   10.268   12.661  -0.6692   11.665   37.781   15.488   29.753   13.469 8.027855 20.52545 
1 1 1  -42   11   57 o   55.836   11.461   29.932   9.7171   20.084   14.011   39.059   13.488   45.837   16.983   65.835   15.394 -19.99795 22.92113 
1 1 1  -42   11   58 o   27.263   8.9505  -7.6614   8.3282   3.7934   11.901 -18.6555   11.659   32.357   14.183   22.170   10.922 10.18682 17.90108 
1 1 1  -42   11   59 o   37.468   15.392   10.820   12.538   10.820   12.538   0.0000   0.0000   37.468   15.392  ?   ?       ?      ? 
1 1 1  -42   11   60 o   29.854   9.6739  -1.2176   8.8726  -4.6027   12.280   2.4804   12.834   27.815   13.022   31.894   14.310 -4.078863 19.34778 
1 1 1  -42   11   61 o   33.061   10.304   3.8210   9.1388  -2.1859   12.478   10.771   13.422   28.966   13.413   37.157   15.646 -8.191198 20.60823 
1 1 1  -42   11   62 o   49.838   11.187   22.933   9.8632   6.9130   13.277   42.659   14.733   34.279   15.004   65.398   16.597 -31.11958 22.37385 
1 1 1  -42   11   63 o   40.989   10.998   15.416   9.2297   25.535   12.882   4.7407   13.231   49.291   16.445   32.688   14.607 16.60220 21.99565 
1 1 1  -42   12    1 o   75.042   14.171   46.220   13.882   46.220   13.882   0.0000   0.0000   75.042   14.171  ?   ?       ?      ? 
1 1 1  -42   12    2 o   60.886   15.646   31.913   12.979   31.913   12.979   0.0000   0.0000   60.886   15.646  ?   ?       ?      ? 
1 1 1  -42   12    3 o   35.478   14.532   6.9725   11.134   6.9725   11.134   0.0000   0.0000   35.478   14.532  ?   ?       ?      ? 
1 1 1  -42   12    4 o   31.468   13.636   2.1501   10.733   2.1501   10.733   0.0000   0.0000   31.468   13.636  ?   ?       ?      ? 
1 1 1  -42   12    5 o   79.720   12.933   49.530   13.972   49.530   13.972   0.0000   0.0000   79.720   12.933  ?   ?       ?      ? 
1 1 1  -42   12    6 o   46.082   15.747   17.705   11.814   17.705   11.814   0.0000   0.0000   46.082   15.747  ?   ?       ?      ? 
1 1 1  -42   12    7 o   81.994   12.905   52.198   14.340   52.198   14.340   0.0000   0.0000   81.994   12.905  ?   ?       ?      ? 
1 1 1  -42   12    8 o   29.299   13.050  -0.7888   10.466  -0.7888   10.466   0.0000   0.0000   29.299   13.050  ?   ?       ?      ? 
1 1 1  -42   12    9 o   49.626   15.687   20.810   11.811   20.810   11.811   0.0000   0.0000   49.626   15.687  ?   ?       ?      ? 
1 1 1  -42   12   10 o   43.451   15.502   15.016   11.524   15.016   11.524   0.0000   0.0000   43.451   15.502  ?   ?       ?      ? 
1 1 1  -42   12   11 o   42.312   15.401   13.878   11.442   13.878   11.442   0.0000   0.0000   42.312   15.401  ?   ?       ?      ? 
1 1 1  -42   12   12 o   53.560   16.135   24.528   12.676   24.528   12.676   0.0000   0.0000   53.560   16.135  ?   ?       ?      ? 
1 1 1  -42   12   13 o   59.709   16.318   30.582   13.580   30.582   13.580   0.0000   0.0000   59.709   16.318  ?   ?       ?      ? 
1 1 1  -42   12   14 o   43.338   15.619   14.754   11.727   14.754   11.727   0.0000   0.0000   43.338   15.619  ?   ?       ?      ? 
1 1 1  -42   12   15 o   45.746   15.880   17.051   12.033   17.051   12.033   0.0000   0.0000   45.746   15.880  ?   ?       ?      ? 
1 1 1  -42   12   16 o   67.115   14.619   36.772   12.920   36.772   12.920   0.0000   0.0000   67.115   14.619  ?   ?       ?      ? 
1 1 1  -42   12   17 o   47.071   15.846   18.284   11.961   18.284   11.961   0.0000   0.0000   47.071   15.846  ?   ?       ?      ? 
1 1 1  -42   12   18 o   99.309   11.787   74.401   15.863   74.401   15.863   0.0000   0.0000   99.309   11.787  ?   ?       ?      ? 
1 1 1  -42   12   19 o   45.419   15.623   16.716   11.633   16.716   11.633   0.0000   0.0000   45.419   15.623  ?   ?       ?      ? 
1 1 1  -42   12   34 o   39.792   10.485   11.589   7.7364   7.6569   11.473   14.868   10.476   36.517   14.831   43.067   14.825 -6.549358 20.96954 
1 1 1  -42   12   35 o   64.213   10.042   34.196   8.7266   25.769   12.798   41.518   11.930   54.611   16.158   73.814   11.927 -19.20311 20.08337 
1 1 1  -42   12   36 o   48.194   10.722   19.585   8.1293   13.363   11.955   24.938   11.087   41.749   15.644   54.638   14.667 -12.88906 21.44386 
1 1 1  -42   12   37 o   62.209   10.296   32.633   8.9720   21.733   12.993   42.568   12.404   50.055   16.507   74.362   12.309 -24.30639 20.59129 
1 1 1  -42   12   38 o   45.417   10.453   16.144   8.3264   4.6195   12.017   26.785   11.547   34.461   14.671   56.373   14.893 -21.91219 20.90530 
1 1 1  -42   12   39 o   52.092   10.222   22.207   8.7120   6.5649   12.343   37.736   12.298   36.078   15.086   68.106   13.798 -32.02787 20.44468 
1 1 1  -42   12   40 o   73.109   14.300   43.949   13.660   0.0000   0.0000   43.949   13.660  ?   ?    73.109   14.300      ?      ? 
1 1 1  -42   12   41 o   93.592   9.1361   69.588   10.938   52.144   15.331   87.675   15.611   79.157   14.838  108.028   10.664 -28.87092 18.27225 
1 1 1  -42   12   42 o   36.278   10.497   7.7515   8.2266   6.2461   11.945   9.1097   11.346   35.336   14.813   37.221   14.877 -1.884838 20.99400 
1 1 1  -42   12   43 o   43.463   11.028   15.719   8.3678   12.570   12.332   18.406   11.392   40.617   15.725   46.309   15.465 -5.692142 22.05528 
1 1 1  -42   12   44 o   66.420   10.410   38.166   9.7257   21.290   13.737   55.127   13.772   48.659   16.963   84.181   12.072 -35.52222 20.82013 
1 1 1  -42   12   45 o   30.896   13.668   0.9984   11.291   0.9984   11.291   0.0000   0.0000   30.896   13.668  ?   ?       ?      ? 
1 1 1  -42   12   46 o   43.553   16.237   16.117   12.848   16.117   12.848   0.0000   0.0000   43.553   16.237  ?   ?       ?      ? 
1 1 1  -42   12   47 o   43.667   11.223   15.573   8.9044   23.166   13.009   8.8814   12.214   50.284   16.514   37.049   15.203 13.23447 22.44651 
1 1 1  -42   12   48 o   73.876   10.306   46.200   10.090   55.964   14.577   37.218   13.981   83.438   12.892   64.314   16.083 19.12437 20.61254 
1 1 1  -42   12   49 o   33.896   10.112   4.5161   8.2838   11.574   11.803  -2.3341   11.629   38.813   15.281   28.980   13.246 9.833271 20.22306 
1 1 1  -42   12   50 o   32.523   10.046   2.7471   8.4972   7.5283   12.211  -1.7412   11.831   35.623   14.958   29.423   13.415 6.199747 20.09227 
1 1 1  -42   12   51 o   42.103   11.432   15.473   9.1739   14.454   13.155   16.438   12.800   41.253   16.166   42.952   16.169 -1.699081 22.86436 
1 1 1  -42   12   52 o   71.626   10.947   45.735   10.338   55.371   15.262   37.565   14.053   79.777   14.657   63.474   16.264 16.30265 21.89395 
1 1 1  -42   12   53 o   37.036   15.293   9.9350   12.457   0.0000   0.0000   9.9350   12.457  ?   ?    37.036   15.293      ?      ? 
1 1 1  -42   12   54 o   42.503   11.256   16.091   9.4508   6.5071   13.982   24.153   12.824   35.284   15.422   49.722   16.399 -14.43843 22.51153 
1 1 1  -42   12   55 o   32.007   10.025   2.9592   8.6861  -0.6834   12.157   6.7577   12.415   29.682   13.558   34.333   14.771 -4.651405 20.05017 
1 1 1  -42   12   56 o   43.189   11.534   18.012   9.3585   22.145   13.297   13.954   13.174   46.754   16.655   39.624   15.962 7.129894 23.06846 
1 1 1  -42   12   57 o   46.621   11.925   22.638   9.6927   21.702   13.866   23.532   13.555   45.691   16.901   47.550   16.829 -1.859131 23.85065 
1 1 1  -42   12   58 o   82.484   14.945   62.691   16.090   62.691   16.090   0.0000   0.0000   82.484   14.945  ?   ?       ?      ? 
1 1 1  -42   12   59 o   29.566   13.514   0.5376   12.103   0.5376   12.103   0.0000   0.0000   29.566   13.514  ?   ?       ?      ? 
1 1 1  -42   13   41 o   44.184   15.981   17.230   12.293   17.230   12.293   0.0000   0.0000   44.184   15.981  ?   ?       ?      ? 
1 1 1  -42   13   42 o   86.701   9.3921   62.175   10.505   50.130   15.026   73.692   14.692   75.900   15.139   97.503   11.119 -21.60262 18.78417 
1 1 1  -42   13   43 o   60.130   10.968   32.065   9.2853   44.446   13.872   22.016   12.498   71.560   14.794   48.700   16.196 22.86028 21.93537 
1 1 1  -42   13   44 o   54.682   11.382   28.283   9.4453   19.690   13.681   36.108   13.056   45.850   16.817   63.515   15.341 -17.66571 22.76344 
1 1 1  -42   13   45 o   30.851   13.817   0.9831   11.908   0.9831   11.908   0.0000   0.0000   30.851   13.817  ?   ?       ?      ? 
1 1 1  -42   13   46 o   42.160   10.847   13.720   8.8025   26.181   12.995   3.1534   11.966   52.208   16.450   32.112   14.145 20.09565 21.69488 
1 1 1  -42   13   47 o   77.323   10.483   53.021   10.664   44.811   15.354   60.674   14.822   68.765   16.653   85.881   12.736 -17.11577 20.96533 
1 1 1  -42   13   48 o   66.533   11.119   40.905   9.8749   44.448   14.246   37.628   13.701   69.755   15.475   63.310   15.971 6.445286 22.23836 
1 1 1  -42   13   49 o   39.389   10.562   11.180   8.6880  -0.3830   12.109   23.447   12.472   29.821   13.587   48.956   16.174 -19.13544 21.12364 
1 1 1  -42   13   50 o   56.777   11.646   32.140   9.7026   25.909   13.840   38.164   13.607   50.174   17.044   63.381   15.876 -13.20710 23.29253 
1 1 1  -42   13   51 o   29.159   9.4350  -0.6652   8.3718  -0.6423   11.975  -0.6871   11.708   29.294   13.410   29.024   13.276 0.2695198 18.87009 
1 1 1  -42   13   52 o   42.422   11.412   17.791   9.4232   11.849   14.205   22.460   12.593   37.871   16.029   46.974   16.249 -9.103344 22.82434 
1 1 1  -42   13   53 o   80.136   14.812   59.100   15.493   0.0000   0.0000   59.100   15.493  ?   ?    80.136   14.812      ?      ? 
1 1 1  -42   13   54 o   44.158   11.574   20.497   9.2124   21.634   13.101   19.385   12.956   45.157   16.473   43.159   16.264 1.998363 23.14870 
1 1 1  -41    0    1 o  196.787   6.4917  264.867   17.269   0.0000   0.0000  264.867   17.269  196.787   6.4917  196.787   6.4917 -0.000000 0.000000 
1 1 1  -41    0    2 o   44.185   14.176   17.042   7.4877   0.0000   0.0000   17.042   7.4877   44.185   14.176   44.185   14.176 -0.000000 0.000000 
1 1 1  -41    0    3 o  105.314   7.2897   76.770   10.289   0.0000   0.0000   76.770   10.289  105.314   7.2897  105.314   7.2897 -0.000000 0.000000 
1 1 1  -41    0    4 o   50.403   13.336   20.751   7.8695   0.0000   0.0000   20.751   7.8695   50.403   13.336   50.403   13.336 -0.000000 0.000000 
1 1 1  -41    0    5 o   77.536   12.817   44.679   12.360   0.0000   0.0000   44.679   12.360   77.536   12.817   77.536   12.817 -0.000000 0.000000 
1 1 1  -41    0    6 o  129.450   9.7679  116.843   16.911   0.0000   0.0000  116.843   16.911  129.450   9.7679  129.450   9.7679 -0.000000 0.000000 
1 1 1  -41    0    7 o  173.878   9.4226  208.936   22.053   0.0000   0.0000  208.936   22.053  173.878   9.4226  173.878   9.4226 -0.000000 0.000000 
1 1 1  -41    0    8 o  242.930   9.6711  406.401   31.723   0.0000   0.0000  406.401   31.723  242.930   9.6711  242.930   9.6711 -0.000000 0.000000 
1 1 1  -41    0    9 o  294.723   10.229  598.188   40.744   0.0000   0.0000  598.188   40.744  294.723   10.229  294.723   10.229 -0.000000 0.000000 
1 1 1  -41    0   10 o  218.243   6.7582  325.427   19.944   0.0000   0.0000  325.427   19.944  218.243   6.7582  218.243   6.7582 -0.000000 0.000000 
1 1 1  -41    0   11 o  287.789   7.1535  565.623   27.859   0.0000   0.0000  565.623   27.859  287.789   7.1535  287.789   7.1535 -0.000000 0.000000 
1 1 1  -41    0   12 o  268.132   7.0506  490.977   25.579   0.0000   0.0000  490.977   25.579  268.132   7.0506  268.132   7.0506 -0.000000 0.000000 
1 1 1  -41    0   13 o   72.164   10.473   37.842   9.6135   0.0000   0.0000   37.842   9.6135   72.164   10.473   72.164   10.473 -0.000000 0.000000 
1 1 1  -41    0   14 o  164.959   6.9380  186.362   15.447   0.0000   0.0000  186.362   15.447  164.959   6.9380  164.959   6.9380 -0.000000 0.000000 
1 1 1  -41    0   16 o  178.675   6.8817  218.422   16.606   0.0000   0.0000  218.422   16.606  178.675   6.8817  178.675   6.8817 -0.000000 0.000000 
1 1 1  -41    0   17 o  159.585   7.0204  174.503   15.115   0.0000   0.0000  174.503   15.115  159.585   7.0204  159.585   7.0204 -0.000000 0.000000 
1 1 1  -41    0   18 o  199.778   6.9010  272.823   18.632   0.0000   0.0000  272.823   18.632  199.778   6.9010  199.778   6.9010 -0.000000 0.000000 
1 1 1  -41    0   19 o   29.760   15.827   8.9144   8.6311   0.0000   0.0000   8.9144   8.6311   29.760   15.827   29.760   15.827 -0.000000 0.000000 
1 1 1  -41    0   20 o  178.148   7.0298  217.215   16.911   0.0000   0.0000  217.215   16.911  178.148   7.0298  178.148   7.0298 -0.000000 0.000000 
1 1 1  -41    0   21 o  183.862   7.0512  231.320   17.510   0.0000   0.0000  231.320   17.510  183.862   7.0512  183.862   7.0512 -0.000000 0.000000 
1 1 1  -41    0   22 o   49.847   13.187   22.609   8.3671   18.143   10.955   28.860   12.962   42.739   18.415   56.956   18.880 -0.000000 0.000000 
1 1 1  -41    0   24 o  188.568   6.7845  245.321   17.136  279.167   24.625  213.540   23.862  201.457   9.0619  175.678   10.100 -0.000000 0.000000 
1 1 1  -41    0   25 o  174.081   6.7516  209.059   15.806  204.292   21.844  214.297   22.899  172.021   9.4355  176.142   9.6596 -0.000000 0.000000 
1 1 1  -41    0   26 f  105.680   8.1954   79.429   11.344   72.642   15.834   86.585   16.260  100.681   12.063  110.678   11.097 -0.000000 0.000000 
1 1 1  -41    0   27 o  169.902   9.7499  199.620   22.279   0.0000   0.0000  199.620   22.279  169.902   9.7499  169.902   9.7499 -0.000000 0.000000 
1 1 1  -41    0   28 o   46.609   19.909   21.626   12.823   0.0000   0.0000   21.626   12.823   46.609   19.909   46.609   19.909 -0.000000 0.000000 
1 1 1  -41    0   29 o  272.134   7.1240  509.754   26.180  528.571   37.226  491.340   36.825  277.179   9.9396  267.089   10.208 -0.000000 0.000000 
1 1 1  -41    0   30 o  298.455   7.3348  613.340   29.576  633.382   42.074  593.762   41.583  303.342   10.262  293.567   10.483 -0.000000 0.000000 
1 1 1  -41    0   31 o  220.014   6.9047  333.522   20.483  329.488   28.448  337.865   29.518  218.672   9.6426  221.356   9.8852 -0.000000 0.000000 
1 1 1  -41    0   32 o  303.484   7.3956  634.637   30.325  653.263   43.014  616.231   42.760  307.987   10.333  298.980   10.584 -0.000000 0.000000 
1 1 1  -41    0   33 o  253.928   7.1225  443.119   24.334  497.539   35.394  394.341   33.510  268.874   9.7432  238.981   10.392 -0.000000 0.000000 
1 1 1  -41    0   34 o  185.769   6.9744  238.545   17.440  232.518   24.354  244.888   24.986  183.341   9.8676  188.198   9.8589 -0.000000 0.000000 
1 1 1  -41    0   35 o  110.352   11.647   86.619   16.973   86.619   16.973   0.0000   0.0000  110.352   11.647  110.352   11.647 -0.000000 0.000000 
1 1 1  -41    0   38 o   83.467   10.055   52.373   10.257   58.930   14.599   45.980   14.415   89.788   12.738   77.145   15.561 -0.000000 0.000000 
1 1 1  -41    0   39 o   53.959   12.234   26.031   9.0826   13.094   12.425   40.878   13.310   35.579   18.968   72.339   15.456 -0.000000 0.000000 
1 1 1  -41    0   40 o  201.916   7.0698  280.808   19.162  316.676   28.166  249.899   26.146  214.044   9.7565  189.788   10.234 -0.000000 0.000000 
1 1 1  -41    0   41 o  189.200   7.0519  246.775   17.899  277.515   26.362  220.486   24.379  200.243   9.7680  178.157   10.174 -0.000000 0.000000 
1 1 1  -41    0   42 o   81.107   10.708   50.154   10.230   64.382   15.108   38.107   13.902   94.087   12.458   68.128   17.419 -0.000000 0.000000 
1 1 1  -41    0   43 o   44.782   13.119   19.866   8.9584   10.702   12.886   28.437   12.462   33.086   18.708   56.477   18.396 -0.000000 0.000000 
1 1 1  -41    0   44 o   96.917   8.8583   68.433   11.047   65.157   15.919   71.475   15.343   94.216   13.214   99.618   11.802 -0.000000 0.000000 
1 1 1  -41    0   45 o  184.385   7.1151  234.003   17.547  272.141   26.239  203.148   23.601  198.060   9.8316  170.710   10.288 -0.000000 0.000000 
1 1 1  -41    0   46 o  193.169   7.0521  259.403   18.328  256.371   26.432  262.211   25.437  191.949   10.228  194.389   9.7118 -0.000000 0.000000 
1 1 1  -41    0   47 o   37.592   13.341   14.133   8.6342   20.539   12.985   9.0569   11.560   44.435   20.067   30.749   17.586 -0.000000 0.000000 
1 1 1  -41    0   48 o  101.526   11.508   74.155   15.308   0.0000   0.0000   74.155   15.308  101.526   11.508  101.526   11.508 -0.000000 0.000000 
1 1 1  -41    0   49 o   21.741   14.289  -1.1472   10.638   0.0000   0.0000  -1.1472   10.638   21.741   14.289   21.741   14.289 -0.000000 0.000000 
1 1 1  -41    0   50 o   36.094   12.794   9.5490   8.7171   24.782   14.027  -0.0360   11.127   49.274   20.802   22.913   14.900 -0.000000 0.000000 
1 1 1  -41    0   51 o   80.773   11.376   52.499   10.613   42.780   15.959   60.204   14.210   70.920   19.211   90.627   12.191 -0.000000 0.000000 
1 1 1  -41    0   52 o  138.723   7.5949  136.254   13.965  133.826   20.975  138.187   18.716  137.194   11.466  140.252   9.9629 -0.000000 0.000000 
1 1 1  -41    0   53 o   55.743   13.565   29.958   9.5201   24.193   14.906   33.930   12.372   47.638   21.501   63.848   16.546 -0.000000 0.000000 
1 1 1  -41    0   54 o   96.166   9.2965   67.728   11.345   73.166   17.628   63.884   14.822   99.105   13.913   93.227   12.334 -0.000000 0.000000 
1 1 1  -41    0   55 o  232.036   10.806  377.879   33.810  377.879   33.810   0.0000   0.0000  232.036   10.806  232.036   10.806 -0.000000 0.000000 
1 1 1  -41    0   56 o  183.327   10.828  237.044   26.685  237.044   26.685   0.0000   0.0000  183.327   10.828  183.327   10.828 -0.000000 0.000000 
1 1 1  -41    0   57 o  108.947   8.4579   84.807   11.968  101.808   18.272   72.033   15.838  118.853   11.598   99.041   12.314 -0.000000 0.000000 
1 1 1  -41    0   58 o   29.195   12.081   7.3096   8.5117   0.5749   13.128   12.194   11.180   24.838   16.164   33.551   17.958 -0.000000 0.000000 
1 1 1  -41    0   59 o  125.709   7.9832  114.406   13.204  104.289   19.397  123.143   18.025  119.747   12.247  131.670   10.244 -0.000000 0.000000 
1 1 1  -41    0   60 o  116.709   8.4463   99.080   12.845   98.287   19.629   99.673   16.987  115.613   12.945  117.804   10.852 -0.000000 0.000000 
1 1 1  -41    0   61 o   64.895   13.642   38.085   10.316   36.437   16.544   39.133   13.195   60.849   21.909   68.940   16.263 -0.000000 0.000000 
1 1 1  -41    0   62 o   28.888   12.329   7.2403   8.6481   7.3554   13.963   7.1687   11.015   29.774   18.199   28.002   16.638 -0.000000 0.000000 
1 1 1  -41    0   63 o  164.036   7.6722  193.468   16.686  176.118   24.685  208.064   22.642  156.385   11.803  171.688   9.8050 -0.000000 0.000000 
1 1 1  -41    0   64 o  158.556   7.6780  179.841   16.162  177.282   24.444  181.829   21.542  156.934   11.641  160.177   10.014 -0.000000 0.000000 
1 1 1  -41    0   65 o   23.663   15.082   2.3168   10.686   0.0000   0.0000   2.3168   10.686   23.663   15.082   23.663   15.082 -0.000000 0.000000 
1 1 1  -41    0   66 o  103.901   11.588   79.228   15.797   0.0000   0.0000   79.228   15.797  103.901   11.588  103.901   11.588 -0.000000 0.000000 
1 1 1  -41    0   67 o  108.986   11.436   86.902   16.464   0.0000   0.0000   86.902   16.464  108.986   11.436  108.986   11.436 -0.000000 0.000000 
1 1 1  -41    0   68 o  125.677   10.847  114.139   18.158   0.0000   0.0000  114.139   18.158  125.677   10.847  125.677   10.847 -0.000000 0.000000 
1 1 1  -41    0   69 o   27.312   16.670   6.3047   11.677   0.0000   0.0000   6.3047   11.677   27.312   16.670   27.312   16.670 -0.000000 0.000000 
1 1 1  -41    0   70 o   77.637   15.346   48.474   14.353   0.0000   0.0000   48.474   14.353   77.637   15.346   77.637   15.346 -0.000000 0.000000 
1 1 1  -41    1    1 o  190.805   5.7347  253.758   13.938  258.380   17.122  244.678   23.998  194.056   6.5111  187.555   9.4420 6.501678 11.46937 
1 1 1  -41    1    2 o  208.103   4.6757  297.136   13.185  301.997   18.713  292.345   18.580  209.805   6.5820  206.401   6.6428 3.403717 9.351425 
1 1 1  -41    1    3 o  171.702   4.6216  202.093   10.751  207.113   15.365  197.276   15.050  173.794   6.5238  169.609   6.5479 4.184952 9.243102 
1 1 1  -41    1    4 o  212.228   4.6784  308.777   13.453  313.842   19.218  303.910   18.838  213.929   6.6292  210.526   6.6032 3.402618 9.356719 
1 1 1  -41    1    5 o  243.133   4.7967  405.457   15.803  408.250   22.494  402.734   22.207  243.950   6.8044  242.315   6.7627 1.635620 9.593456 
1 1 1  -41    1    6 o  250.253   4.8386  429.145   16.401  446.046   23.611  413.385   22.799  255.015   6.8322  245.491   6.8534 9.523453 9.677204 
1 1 1  -41    1    7 f  150.785   4.7876  155.838   9.7804  157.301   14.009  154.447   13.661  151.461   6.8251  150.109   6.7158 1.352142 9.575187 
1 1 1  -41    1    8 o  252.913   4.8828  438.601   16.734  440.602   23.830  436.654   23.504  253.468   6.9377  252.358   6.8728 1.110016 9.765636 
1 1 1  -41    1    9 o  227.912   4.7915  355.920   14.791  341.149   20.781  371.090   21.059  223.082   6.8740  232.742   6.6769 -9.659698 9.582950 
1 1 1  -41    1   10 o  289.829   5.0783  576.403   19.942  565.512   28.235  587.243   28.170  287.058   7.2583  292.599   7.1045 -5.541443 10.15665 
1 1 1  -41    1   11 o  182.107   4.7712  226.953   11.769  234.866   16.951  219.588   16.353  185.167   6.7553  179.047   6.7397 6.119522 9.542396 
1 1 1  -41    1   12 o  262.051   4.9623  470.429   17.616  484.708   25.280  456.950   24.561  265.915   7.0154  258.187   7.0199 7.728149 9.924517 
1 1 1  -41    1   13 o  234.553   5.9865  371.989   17.878  359.035   21.662  399.654   31.658  228.888   6.9840  240.217   9.7250 -11.32899 11.97295 
1 1 1  -41    1   14 o  144.765   6.0997  144.723   11.309  145.313   13.913  143.575   19.416  145.608   7.0512  143.922   9.9553 1.685745 12.19946 
1 1 1  -41    1   15 o   85.413   7.4672   48.669   8.2757   44.130   10.133   57.760   14.340   79.903   9.3584   90.924   11.639 -11.02126 14.93447 
1 1 1  -41    1   16 o  174.020   6.9012  207.416   16.274   0.0000   0.0000  207.416   16.274  ?   ?   174.020   6.9012      ?      ? 
1 1 1  -41    1   17 o  175.676   4.9248  211.327   11.718  221.284   16.741  201.763   16.407  179.757   6.8725  171.596   7.0558 8.161087 9.849633 
1 1 1  -41    1   18 o  173.227   4.9284  205.382   11.564  212.281   16.636  198.931   16.087  176.038   6.9735  170.415   6.9661 5.623184 9.856821 
1 1 1  -41    1   19 o  240.844   4.9918  396.985   16.283  413.267   23.489  381.922   22.592  245.594   7.0576  236.095   7.0613 9.498810 9.983603 
1 1 1  -41    1   20 o  230.562   5.0200  364.245   15.683  372.195   22.272  356.428   22.086  233.074   7.0515  228.050   7.1468 5.024643 10.03995 
1 1 1  -41    1   21 o  225.337   5.7005  361.440   15.201  375.942   17.838  322.982   29.049  234.722   5.6081  215.951   9.9263 18.77136 11.40096 
1 1 1  -41    1   22 o  237.622   5.8845  384.610   17.816  377.130   21.676  400.182   31.276  234.698   6.8152  240.546   9.5948 -5.847275 11.76896 
1 1 1  -41    1   23 o  164.715   5.8157  185.794   12.258  184.079   15.015  189.223   21.227  163.982   6.7569  165.447   9.4676 -1.464218 11.63145 
1 1 1  -41    1   24 o  164.405   5.8500  184.274   12.255  181.018   14.917  191.032   21.492  162.607   6.7697  166.202   9.5426 -3.595383 11.69996 
1 1 1  -41    1   25 o  176.547   4.7332  213.321   11.322  214.695   16.192  212.007   15.836  177.089   6.7473  176.005   6.6397 1.083557 9.466344 
1 1 1  -41    1   26 o   74.580   6.4542   38.342   6.5172   40.208   9.4518   36.651   8.9984   76.305   9.1407   72.854   9.1144 3.450027 12.90833 
1 1 1  -41    1   27 o  142.567   4.8992  138.995   9.4558  147.312   13.694  131.416   13.073  146.644   6.8910  138.490   6.9657 8.154282 9.798305 
1 1 1  -41    1   28 o  224.117   4.8261  343.686   14.649  358.211   21.102  330.173   20.354  228.689   6.8091  219.545   6.8413 9.143692 9.652266 
1 1 1  -41    1   29 o  260.292   4.9743  464.384   17.544  470.212   25.007  458.735   24.621  261.895   7.0461  258.689   7.0233 3.206360 9.948586 
1 1 1  -41    1   30 o  188.495   6.1296  249.334   14.539  233.181   25.405  257.202   17.730  183.218   10.232  193.772   6.7520 -10.55431 12.25914 
1 1 1  -41    1   31 o  281.224   10.235  549.575   39.005   0.0000   0.0000  549.575   39.005  ?   ?   281.224   10.235      ?      ? 
1 1 1  -41    1   32 o  236.877   6.0509  383.528   18.350  398.061   31.882  376.328   22.440  239.530   9.8219  234.223   7.0697 5.306992 12.10172 
1 1 1  -41    1   33 o  252.209   6.0542  438.189   19.531  441.366   33.745  436.588   23.950  252.137   9.8761  252.281   7.0056 -0.1434784 12.10849 
1 1 1  -41    1   34 o  166.306   5.8744  186.221   12.506  204.492   22.010  177.510   15.198  171.758   9.4563  160.854   6.9722 10.90382 11.74876 
1 1 1  -41    1   35 o  251.331   4.9701  433.393   16.924  444.914   24.198  422.360   23.680  254.607   7.0132  248.056   7.0444 6.551208 9.940278 
1 1 1  -41    1   36 o  253.959   5.0081  442.868   17.234  434.216   24.278  451.655   24.467  251.439   7.1252  256.479   7.0396 -5.040817 10.01618 
1 1 1  -41    1   37 o  220.177   4.9292  332.861   14.700  319.310   20.681  346.698   20.899  215.603   7.0784  224.751   6.8617 -9.148727 9.858311 
1 1 1  -41    1   38 o  180.920   6.0303  222.350   13.918  214.815   16.902  238.220   24.528  176.818   7.0539  185.022   9.7826 -8.203995 12.06058 
1 1 1  -41    1   39 o  205.750   6.0549  290.005   15.864  284.452   19.297  301.581   27.861  203.453   6.9991  208.046   9.8822 -4.593277 12.10972 
1 1 1  -41    1   40 o  207.529   4.9548  296.025   13.933  301.039   19.876  291.181   19.536  209.255   7.0093  205.803   7.0050 3.452728 9.909668 
1 1 1  -41    1   41 o  136.457   7.3447  130.518   13.561  136.779   19.026  124.052   19.334  139.935   10.033  132.980   10.729 6.954880 14.68935 
1 1 1  -41    1   42 o  143.143   7.2730  143.059   14.087  134.311   19.337  152.954   20.564  138.485   10.304  147.801   10.267 -9.316238 14.54594 
1 1 1  -41    1   43 o  178.730   4.9826  219.892   12.066  223.145   17.261  216.783   16.873  180.010   7.0760  177.449   7.0168 2.561279 9.965175 
1 1 1  -41    1   44 o   93.684   6.0776   60.833   7.6971   66.982   11.129   55.194   10.657   98.276   8.3564   89.092   8.8273 9.184631 12.15523 
1 1 1  -41    1   45 f  124.182   5.4109  106.843   9.0428   91.640   12.657  122.693   12.924  114.981   8.1232  133.382   7.1502 -18.40099 10.82181 
1 1 1  -41    1   46 o  197.841   6.0507  272.951   15.434  274.711   19.146  269.685   26.084  199.557   7.0798  196.124   9.8143 3.433746 12.10143 
1 1 1  -41    1   47 o  164.134   6.1721  191.100   13.069  199.910   16.409  175.818   21.611  170.164   7.1159  158.105   10.087 12.05904 12.34421 
1 1 1  -41    1   48 o  108.441   5.7344   81.714   8.4260   80.361   11.903   83.072   11.929  107.522   8.1695  109.360   8.0493 -1.838715 11.46874 
1 1 1  -41    1   49 o  211.730   5.0102  309.834   14.373  317.229   20.467  302.638   20.190  214.243   7.0497  209.216   7.1211 5.027100 10.02039 
1 1 1  -41    1   50 o  244.892   6.2046  419.099   19.491  420.391   33.399  418.431   24.002  243.932   10.104  245.851   7.2043 -1.918365 12.40927 
1 1 1  -41    1   51 o   98.134   7.0812   67.405   9.0042   70.507   15.252   65.746   11.156   99.271   11.338   96.997   8.4869 2.274239 14.16242 
1 1 1  -41    1   52 o   67.377   7.8183   33.154   6.8671   26.915   9.7149   39.385   9.7084   60.052   12.350   74.702   9.5903 -14.64981 15.63651 
1 1 1  -41    1   53 o   75.249   9.0142   38.454   8.2196   50.760   15.737   33.836   9.6390   81.539   14.786   68.959   10.315 12.58060 18.02845 
1 1 1  -41    1   54 f   69.512   9.7721   35.882   8.1758   37.527   15.416   35.238   9.6437   68.654   16.725   70.370   10.113 -1.715813 19.54429 
1 1 1  -41    1   55 o  166.018   5.0919  191.541   11.451  198.962   16.465  184.591   15.935  169.140   7.1836  162.897   7.2185 6.243530 10.18389 
1 1 1  -41    1   56 o  114.489   5.6750   91.867   8.8032   91.677   12.554   92.050   12.347  114.336   8.1027  114.642   7.9478 -0.3061981 11.34991 
1 1 1  -41    1   57 o   79.519   9.3533   50.295   8.8219   55.284   10.759   40.061   15.411   88.372   8.9841   70.666   16.408 17.70638 18.70659 
1 1 1  -41    1   58 o  114.514   5.6250   92.058   8.7267   93.392   12.516   90.797   12.174  115.292   8.0112  113.736   7.8984 1.556221 11.25009 
1 1 1  -41    1   59 o   91.465   6.2337   59.317   7.7238   59.164   11.062   59.463   10.790   91.292   8.9414   91.638   8.6884 -0.3465805 12.46745 
1 1 1  -41    1   60 o   21.995   7.3229  -8.3893   5.6914  -3.9182   8.2243 -12.4982   7.8841   24.541   11.187   19.449   9.4521 5.092196 14.64585 
1 1 1  -41    1   61 o  101.765   5.9563   73.092   8.1956   80.195   11.957   66.797   11.256  106.484   8.2858   97.046   8.5589 9.438004 11.91261 
1 1 1  -41    1   62 o  114.425   5.7535   92.762   8.9020   87.977   12.764   97.292   12.421  111.354   8.4588  117.496   7.8013 -6.142662 11.50703 
1 1 1  -41    1   63 o   63.530   8.3637   30.845   6.9449   23.747   9.9440   37.604   9.7036   54.937   13.462   72.122   9.9284 -17.18515 16.72749 
1 1 1  -41    1   64 o   36.449   9.6015   8.3153   6.8366   13.404   8.7543   0.3603   10.946   41.790   13.537   31.108   13.620 10.68223 19.20293 
1 1 1  -41    1   65 o   86.883   7.5808   54.409   8.6749   51.363   10.932   59.591   14.256   84.333   9.5655   89.433   11.763 -5.099426 15.16151 
1 1 1  -41    1   66 o  129.113   7.4824  122.221   13.082  128.636   18.754  116.142   18.259  132.540   10.442  125.686   10.720 6.854721 14.96485 
1 1 1  -41    1   67 o  118.636   7.7065  103.901   12.380   98.476   17.266  109.641   17.760  115.315   11.049  121.957   10.746 -6.642303 15.41303 
1 1 1  -41    1   68 o   88.879   8.8811   60.225   10.652   54.486   15.044   65.994   15.085   84.116   13.198   93.642   11.887 -9.525818 17.76222 
1 1 1  -41    1   69 o  103.487   11.457   80.259   16.068   0.0000   0.0000   80.259   16.068  ?   ?   103.487   11.457      ?      ? 
1 1 1  -41    1   70 o  114.787   11.040   98.372   17.173   0.0000   0.0000   98.372   17.173  ?   ?   114.787   11.040      ?      ? 
1 1 1  -41    2    1 o   66.776   6.4302   31.503   5.7129   26.087   8.3531   36.263   7.8308   61.100   10.088   72.452   7.9758 -11.35185 12.86038 
1 1 1  -41    2    2 o  155.676   4.6121  166.633   9.7075  155.318   13.824  177.642   13.635  150.371   6.7839  160.980   6.2503 -10.60909 9.224295 
1 1 1  -41    2    3 o  178.767   4.6070  219.203   11.152  219.470   16.101  218.957   15.460  178.828   6.6442  178.706   6.3838 0.1216736 9.214039 
1 1 1  -41    2    4 o  118.846   4.9090   97.122   7.8962   94.081   11.334   99.989   11.007  116.988   7.1495  120.704   6.7289 -3.716415 9.818014 
1 1 1  -41    2    5 o  190.455   4.6390  248.430   11.965  256.718   17.301  240.831   16.566  193.483   6.5984  187.426   6.5224 6.056870 9.277961 
1 1 1  -41    2    6 o  187.716   4.6740  241.749   11.881  236.141   17.005  247.096   16.606  185.536   6.7635  189.896   6.4529 -4.359695 9.348045 
1 1 1  -41    2    7 o  226.162   5.7843  350.380   16.870  345.119   20.808  360.470   28.817  224.294   6.8460  228.030   9.3255 -3.736206 11.56867 
1 1 1  -41    2    8 o  205.413   5.7887  293.216   15.320  298.717   19.042  283.123   25.794  208.738   6.7319  202.089   9.4189 6.648956 11.57732 
1 1 1  -41    2    9 o  190.517   5.7871  251.673   14.220  255.286   17.673  245.039   23.945  192.980   6.7581  188.055   9.3962 4.924973 11.57417 
1 1 1  -41    2   10 o  207.578   4.7670  295.164   13.405  300.553   19.250  290.090   18.679  209.402   6.7837  205.754   6.6992 3.647934 9.534020 
1 1 1  -41    2   11 o  185.575   4.7851  235.923   12.029  238.428   17.297  233.578   16.739  186.505   6.8438  184.645   6.6898 1.859558 9.570271 
1 1 1  -41    2   12 o  237.463   4.8832  386.723   15.706  375.609   22.323  397.616   22.101  234.029   7.0389  240.896   6.7702 -6.866531 9.766359 
1 1 1  -41    2   13 o  286.540   5.1112  563.070   19.838  572.577   28.568  554.217   27.568  288.839   7.2987  284.240   7.1571 4.599152 10.22235 
1 1 1  -41    2   14 o  210.996   4.8432  304.983   13.842  306.854   19.912  303.233   19.254  211.589   6.9445  210.402   6.7529 1.186584 9.686501 
1 1 1  -41    2   15 o  231.516   4.8719  366.907   15.275  376.863   22.101  357.802   21.135  234.496   6.9549  228.537   6.8244 5.958984 9.743837 
1 1 1  -41    2   16 o  124.662   6.2327  104.215   9.9101  116.165   17.624   98.688   11.984  129.405   10.050  119.920   7.3747 9.485718 12.46539 
1 1 1  -41    2   17 o   76.344   8.7196   43.933   7.9454   35.219   13.827   48.230   9.7084   69.036   15.191   83.653   8.5642 -14.61627 17.43921 
1 1 1  -41    2   18 o   97.525   8.3272   66.835   10.920   76.107   15.439   57.556   15.446  104.544   10.898   90.506   12.594 14.03815 16.65431 
1 1 1  -41    2   19 o   89.082   7.7273   54.516   9.3283   54.516   9.3283   0.0000   0.0000   89.082   7.7273  ?   ?       ?      ? 
1 1 1  -41    2   20 o  214.811   5.5126  317.717   14.014  318.426   16.275  315.683   27.560  216.010   5.5600  213.612   9.5207 2.398315 11.02526 
1 1 1  -41    2   21 o  219.921   5.4875  325.602   14.336  318.573   16.586  346.368   28.508  216.031   5.6657  223.811   9.3996 -7.780594 10.97504 
1 1 1  -41    2   22 o   93.780   6.8770   62.931   7.5089   65.089   8.7302   56.795   14.720   97.518   6.6063   90.043   12.063 7.474518 13.75393 
1 1 1  -41    2   23 o   90.509   7.3248   62.955   7.5816   70.285   8.9781   44.736   14.155  101.345   6.5373   79.673   13.110 21.67134 14.64966 
1 1 1  -41    2   24 f   78.842   7.8131   45.592   6.9892   47.546   8.1812   40.311   13.447   83.257   7.2512   74.426   13.842 8.831482 15.62624 
1 1 1  -41    2   25 o  136.978   5.6956  127.560   9.3942  125.790   10.972  132.419   18.181  135.685   5.9674  138.271   9.7031 -2.585938 11.39128 
1 1 1  -41    2   26 o  236.678   6.8434  385.980   21.854  440.153   32.079  339.065   29.853  252.249   9.3844  221.108   9.9631 31.14119 13.68687 
1 1 1  -41    2   27 o  216.065   6.7225  323.112   19.679  332.457   28.021  314.017   27.644  219.182   9.4340  212.948   9.5797 6.234299 13.44510 
1 1 1  -41    2   28 o  293.536   6.2420  589.906   23.363  609.538   40.871  580.378   28.474  296.235   10.181  290.837   7.2246 5.398163 12.48390 
1 1 1  -41    2   29 o  238.321   6.0119  397.111   18.274  374.799   31.207  408.754   22.543  232.411   9.9085  244.230   6.8112 -11.81815 12.02376 
1 1 1  -41    2   30 o  190.855   5.7815  246.187   14.045  264.720   24.889  237.527   17.013  195.527   9.3932  186.183   6.7431 9.343979 11.56293 
1 1 1  -41    2   31 o  222.260   4.8587  338.546   14.630  345.453   20.984  332.012   20.408  224.454   6.8990  220.065   6.8434 4.389099 9.717409 
1 1 1  -41    2   32 o  194.366   4.8500  258.748   12.766  267.652   18.472  250.607   17.663  197.549   6.8999  191.183   6.8176 6.366455 9.699939 
1 1 1  -41    2   33 o  213.246   6.0141  309.785   16.151  325.275   29.039  302.848   19.434  216.351   9.9048  210.142   6.8245 6.209229 12.02822 
1 1 1  -41    2   34 f  225.731   6.1309  359.629   17.473  330.477   30.183  374.323   21.428  217.839   10.224  233.623   6.7685 -15.78372 12.26174 
1 1 1  -41    2   35 o  194.464   4.8562  259.084   12.787  272.615   18.511  246.736   17.684  199.318   6.8534  189.611   6.8821 9.706299 9.712483 
1 1 1  -41    2   36 o  199.430   4.8666  273.038   13.151  272.537   18.742  273.524   18.457  199.228   6.9420  199.633   6.8224 -0.4055481 9.733254 
1 1 1  -41    2   37 o  115.170   5.3825   91.591   8.3620   81.473   11.805  101.781   11.846  108.667   8.0165  121.672   7.1848 -13.00571 10.76500 
1 1 1  -41    2   38 o  188.636   4.8814  244.559   12.469  234.066   17.631  255.061   17.638  184.530   7.0505  192.742   6.7531 -8.211975 9.762834 
1 1 1  -41    2   39 o  162.311   4.9735  181.163   10.938  179.979   15.566  182.318   15.373  161.764   7.1008  162.857   6.9657 -1.093323 9.946918 
1 1 1  -41    2   40 o   71.837   8.6857   35.570   7.9165   32.053   9.7134   42.529   13.662   67.620   10.600   76.055   13.762 -8.434837 17.37144 
1 1 1  -41    2   41 o  112.152   6.7228   85.806   9.6935   81.970   11.843   93.590   16.872  108.884   8.0265  115.419   10.787 -6.535233 13.44555 
1 1 1  -41    2   42 o   87.652   6.2608   53.191   7.4085   60.050   10.807   47.109   10.176   93.032   8.5717   82.271   9.1276 10.76089 12.52150 
1 1 1  -41    2   43 o  155.997   5.0898  167.413   10.748  176.532   15.623  159.218   14.810  160.020   7.2047  151.975   7.1914 8.044769 10.17956 
1 1 1  -41    2   44 o  154.021   6.1193  163.099   12.267  158.500   15.260  171.500   20.626  151.499   7.4329  156.544   9.7230 -5.045273 12.23865 
1 1 1  -41    2   45 o  156.429   6.1086  170.703   12.504  172.082   15.807  168.399   20.438  157.823   7.3911  155.036   9.7280 2.786957 12.21728 
1 1 1  -41    2   46 o  177.550   5.0738  217.521   12.201  222.337   17.623  213.088   16.908  179.402   7.2488  175.699   7.1013 3.703552 10.14762 
1 1 1  -41    2   47 o  187.362   7.1733  247.634   18.183  256.492   25.337  238.228   26.110  191.070   9.7856  183.654   10.491 7.415756 14.34653 
1 1 1  -41    2   48 o  160.486   7.3816  182.330   16.019  186.174   22.100  178.074   23.252  162.526   10.034  158.447   10.829 4.078354 14.76320 
1 1 1  -41    2   49 o  164.875   5.1089  188.099   11.404  177.256   15.961  199.407   16.300  159.956   7.3635  169.795   7.0839 -9.839523 10.21777 
1 1 1  -41    2   50 o  214.645   5.0157  318.714   14.584  330.379   20.918  307.682   20.343  218.481   7.0653  210.808   7.1211 7.673279 10.03134 
1 1 1  -41    2   51 o  192.501   6.5663  263.039   15.684  254.668   28.282  266.757   18.848  188.777   11.055  196.225   7.0882 -7.447754 13.13250 
1 1 1  -41    2   52 o  189.177   7.0998  248.176   18.201   0.0000   0.0000  248.176   18.201  ?   ?   189.177   7.0998      ?      ? 
1 1 1  -41    2   53 o   81.683   6.6885   47.210   7.3867   46.436   10.757   47.901   10.161   80.921   9.8099   82.445   9.0947 -1.524666 13.37708 
1 1 1  -41    2   54 o   77.312   6.8208   42.627   7.0921   37.262   10.107   47.830   9.9539   72.242   10.325   82.383   8.9160 -10.14140 13.64155 
1 1 1  -41    2   55 o  133.065   5.2586  123.498   9.4767  122.029   13.586  124.891   13.225  132.219   7.5826  133.911   7.2880 -1.691101 10.51715 
1 1 1  -41    2   56 o  107.578   5.6626   81.142   8.2502   81.685   11.890   80.638   11.457  107.867   8.1340  107.288   7.8804 0.5789108 11.32529 
1 1 1  -41    2   57 o  128.572   5.3521  114.896   9.2852  130.772   13.705  101.427   12.624  136.822   7.3917  120.322   7.7423 16.50066 10.70421 
1 1 1  -41    2   58 o  153.907   6.6456  170.230   12.945  173.092   15.834  164.459   22.481  157.301   7.4280  150.514   11.022 6.787476 13.29126 
1 1 1  -41    2   59 o   97.598   6.0895   67.435   8.0526   68.483   11.513   66.433   11.267   98.325   8.6406   96.870   8.5831 1.454872 12.17901 
1 1 1  -41    2   60 o   72.976   7.6378   39.027   7.1189   52.737   10.506   27.387   9.6802   86.053   9.0089   59.899   12.336 26.15433 15.27570 
1 1 1  -41    2   61 o  138.460   5.3489  134.475   10.027  142.380   14.523  127.276   13.860  142.365   7.5277  134.556   7.6010 7.809296 10.69774 
1 1 1  -41    2   62 o   89.521   7.3916   56.861   8.8071   51.146   11.248   65.917   14.160   84.186   9.8590   94.856   11.015 -10.66936 14.78312 
1 1 1  -41    2   63 o   94.593   7.1731   61.793   8.9494   51.543   11.196   79.928   14.893   84.479   9.7802  104.708   10.496 -20.22983 14.34615 
1 1 1  -41    2   64 o   60.749   9.8153   29.753   7.7661   31.526   9.8916   26.904   12.539   64.374   11.773   57.124   15.709 7.250080 19.63066 
1 1 1  -41    2   65 o   96.523   7.1703   67.154   9.0339   65.224   11.300   70.573   15.038   95.491   8.7324   97.554   11.375 -2.062592 14.34067 
1 1 1  -41    2   66 o   96.233   7.3848   67.671   9.2062   67.183   11.474   68.553   15.426   96.837   8.7433   95.630   11.904 1.206947 14.76957 
1 1 1  -41    2   67 o  100.527   8.1656   75.585   11.110   72.854   15.876   78.206   15.552   98.456   11.899  102.598   11.186 -4.141815 16.33125 
1 1 1  -41    2   68 o   84.962   12.369   54.850   14.241   0.0000   0.0000   54.850   14.241  ?   ?    84.962   12.369      ?      ? 
1 1 1  -41    2   69 o  144.105   10.281  152.899   20.077   0.0000   0.0000  152.899   20.077  ?   ?   144.105   10.281      ?      ? 
1 1 1  -41    2   70 o  157.744   10.297  183.797   22.012   0.0000   0.0000  183.797   22.012  ?   ?   157.744   10.297      ?      ? 
1 1 1  -41    2   71 o  103.583   11.491   81.191   16.131   0.0000   0.0000   81.191   16.131  ?   ?   103.583   11.491      ?      ? 
1 1 1  -41    3    1 o   89.005   5.3169   54.499   6.4006   57.201   9.4156   52.177   8.7272   91.026   7.6331   86.984   7.4038 4.041862 10.63388 
1 1 1  -41    3    2 o   78.177   5.7471   42.313   6.0610   41.821   8.9767   42.725   8.2166   77.678   8.5277   78.675   7.7068 -0.9967422 11.49421 
1 1 1  -41    3    3 o   91.602   5.4449   58.726   6.6566   49.855   9.7440   66.489   9.1152   84.847   8.4745   98.356   6.8389 -13.50840 10.88980 
1 1 1  -41    3    4 o  104.458   5.1740   75.292   7.2927   73.020   10.725   77.245   9.9456  102.903   7.6912  106.013   6.9229 -3.109985 10.34801 
1 1 1  -41    3    5 o   89.585   8.0626   64.567   7.9739   41.032   14.228   75.343   9.6279   74.423   14.629  104.746   6.7828 -30.32298 16.12530 
1 1 1  -41    3    6 o  182.618   5.7262  227.923   13.062  236.163   23.759  224.355   15.636  184.320   9.5122  180.915   6.3779 3.404633 11.45246 
1 1 1  -41    3    7 o  126.698   6.2691  114.596   9.7171  102.782   17.608  119.769   11.652  121.226   10.718  132.170   6.5056 -10.94469 12.53812 
1 1 1  -41    3    8 o  243.365   5.9008  396.654   17.953  441.249   33.140  378.132   21.358  251.946   9.7064  234.784   6.7128 17.16164 11.80155 
1 1 1  -41    3    9 o  210.079   5.8461  302.218   15.401  310.797   27.768  298.407   18.509  211.504   9.6881  208.654   6.5458 2.850357 11.69217 
1 1 1  -41    3   10 o  192.957   5.8181  255.411   14.071  260.552   25.343  253.120   16.918  193.709   9.6545  192.204   6.4954 1.505081 11.63614 
1 1 1  -41    3   11 o  140.622   4.9152  134.614   9.3275  148.178   13.983  123.741   12.520  146.935   7.0227  134.308   6.8787 12.62712 9.830313 
1 1 1  -41    3   12 o  141.401   4.9551  136.594   9.4732  149.225   13.911  125.668   12.937  147.483   6.9602  135.319   7.0547 12.16362 9.910243 
1 1 1  -41    3   13 o  158.516   5.8951  177.023   12.130  188.115   15.412  158.967   19.665  165.628   6.8667  151.404   9.5843 14.22366 11.79028 
1 1 1  -41    3   14 o  133.839   6.0988  125.285   10.609  129.885   13.395  117.540   17.380  137.558   7.1857  130.120   9.8562 7.437805 12.19752 
1 1 1  -41    3   15 o  170.516   4.8466  198.965   11.188  207.730   16.268  191.099   15.411  174.060   6.8968  166.971   6.8111 7.088821 9.693129 
1 1 1  -41    3   16 o  139.744   5.1156  132.839   9.6217  156.768   14.307  113.077   13.001  151.193   6.9826  128.295   7.4781 22.89841 10.23130 
1 1 1  -41    3   17 o  219.829   4.9090  331.003   14.609  338.371   21.236  324.384   20.128  222.107   7.0555  217.552   6.8273 4.554703 9.818003 
1 1 1  -41    3   18 o  202.779   5.4113  279.278   13.059  275.657   15.154  289.722   25.738  200.936   5.5654  204.623   9.2821 -3.686737 10.82266 
1 1 1  -41    3   19 o  200.958   5.4501  279.921   13.092  282.614   15.317  272.621   25.221  203.461   5.5555  198.455   9.3782 5.005569 10.90022 
1 1 1  -41    3   20 o  152.617   5.5199  160.746   10.100  161.422   11.820  158.915   19.442  153.744   5.6734  151.489   9.4706 2.254669 11.03990 
1 1 1  -41    3   21 o  161.958   6.7340  179.704   14.779  179.704   14.779   0.0000   0.0000  161.958   6.7340  ?   ?       ?      ? 
1 1 1  -41    3   22 o  205.782   9.1195  292.785   25.431  292.785   25.431   0.0000   0.0000  205.782   9.1195  ?   ?       ?      ? 
1 1 1  -41    3   23 o  194.530   6.9081  259.418   18.211  259.418   18.211   0.0000   0.0000  194.530   6.9081  ?   ?       ?      ? 
1 1 1  -41    3   24 o  213.279   5.8520  315.874   16.155  322.053   20.190  304.879   26.933  216.752   6.8738  209.806   9.4729 6.945709 11.70401 
1 1 1  -41    3   25 o  153.719   5.9239  164.630   11.790  169.102   14.772  156.783   19.569  157.040   6.9413  150.399   9.6015 6.640228 11.84783 
1 1 1  -41    3   26 o  175.087   5.3643  203.867   11.393  195.802   13.289  226.243   22.136  169.283   5.7928  180.891   9.0302 -11.60776 10.72851 
1 1 1  -41    3   27 o  131.594   5.9217  124.291   9.4077  131.067   11.215  108.201   17.282  138.457   5.9772  124.730   10.224 13.72729 11.84334 
1 1 1  -41    3   28 o  169.738   4.7690  197.106   10.959  207.348   15.911  187.862   15.116  173.923   6.7507  165.553   6.7380 8.370056 9.537957 
1 1 1  -41    3   29 o  144.335   4.8746  142.764   9.5287  146.459   13.768  139.367   13.201  146.111   6.9534  142.559   6.8335 3.551620 9.749160 
1 1 1  -41    3   30 f  156.083   4.8073  167.155   10.161  164.452   14.579  169.707   14.169  154.814   6.9492  157.353   6.6446 -2.538635 9.614692 
1 1 1  -41    3   31 o  197.212   4.7905  266.900   12.792  254.766   18.106  278.991   18.074  192.678   6.9345  201.747   6.6111 -9.068665 9.580953 
1 1 1  -41    3   32 o  201.127   4.8329  277.444   13.169  283.250   18.859  271.919   18.398  203.174   6.8496  199.080   6.8198 4.094452 9.665760 
1 1 1  -41    3   33 o  237.773   4.8928  388.154   15.763  385.608   22.424  390.641   22.163  236.974   6.9828  238.573   6.8554 -1.598526 9.785505 
1 1 1  -41    3   34 o  129.131   5.1652  114.729   9.0333  112.634   12.918  116.734   12.637  127.938   7.4511  130.324   7.1552 -2.385437 10.33031 
1 1 1  -41    3   35 o  184.664   5.9618  232.352   13.894  245.217   24.910  226.543   16.739  187.676   9.7945  181.652   6.8000 6.023865 11.92359 
1 1 1  -41    3   36 o  116.580   6.7375   95.810   9.7759   91.154   17.483   97.928   11.792  113.866   11.330  119.294   7.2941 -5.428078 13.47505 
1 1 1  -41    3   37 o  109.805   5.5684   83.832   8.2154   72.965   11.785   94.106   11.459  102.674   8.4699  116.937   7.2311 -14.26350 11.13678 
1 1 1  -41    3   38 o   91.822   5.9188   58.341   7.3543   58.681   10.703   58.038   10.122   92.026   8.5827   91.619   8.1527 0.4062729 11.83763 
1 1 1  -41    3   39 o   84.685   6.2229   49.278   7.1050   55.394   10.707   44.467   9.4971   89.322   8.8459   80.048   8.7550 9.273621 12.44589 
1 1 1  -41    3   40 o   80.669   6.6562   46.462   7.0811   36.378   10.379   55.244   9.6854   71.963   10.643   89.374   7.9969 -17.41049 13.31249 
1 1 1  -41    3   41 o  150.543   6.1849  159.569   12.098  165.520   15.277  149.559   19.812  154.935   7.2764  146.151   10.003 8.783295 12.36972 
1 1 1  -41    3   42 o  194.559   7.0998  260.920   18.719  260.920   18.719   0.0000   0.0000  194.559   7.0998  ?   ?       ?      ? 
1 1 1  -41    3   43 o  121.637   5.4265  101.971   8.9256  111.563   13.038   93.511   12.245  127.033   7.5736  116.240   7.7735 10.79285 10.85301 
1 1 1  -41    3   44 o  174.930   4.9636  210.992   11.755  212.803   17.040  209.349   16.236  175.582   7.1615  174.277   6.8747 1.304901 9.927209 
1 1 1  -41    3   45 o  151.149   5.0375  157.467   10.305  163.528   15.042  152.106   14.146  153.848   7.2151  148.450   7.0318 5.398331 10.07495 
1 1 1  -41    3   46 f  166.503   5.0670  191.380   11.422  196.673   16.596  186.616   15.744  168.643   7.2619  164.362   7.0685 4.281464 10.13403 
1 1 1  -41    3   47 o  185.237   5.0085  237.291   12.559  235.226   18.134  239.194   17.411  184.370   7.2579  186.103   6.9040 -1.733124 10.01707 
1 1 1  -41    3   48 o  227.076   5.0254  356.753   15.454  357.177   22.256  356.359   21.476  227.123   7.2311  227.028   6.9807 0.9466553E-01 10.05081 
1 1 1  -41    3   49 o  127.029   6.6298  110.165   10.462  122.080   19.474  105.332   12.404  130.844   10.983  123.213   7.4288 7.630463 13.25959 
1 1 1  -41    3   50 o  102.303   7.5050   75.510   9.3610   71.990   17.270   76.974   11.139   99.460   12.813  105.146   7.8179 -5.685295 15.00998 
1 1 1  -41    3   51 o   92.784   6.3295   61.957   7.6998   45.433   11.049   77.559   10.736   79.962   10.196  105.606   7.5022 -25.64367 12.65895 
1 1 1  -41    3   52 o   87.685   6.4181   54.162   7.5941   54.454   11.274   53.919   10.275   87.748   9.4808   87.623   8.6534 0.1255875 12.83611 
1 1 1  -41    3   53 o  137.887   7.6206  136.694   14.193  147.690   19.983  125.500   20.163  143.861   10.250  131.913   11.279 11.94789 15.24127 
1 1 1  -41    3   54 o  163.816   7.4426  192.245   16.507  188.089   22.784  196.838   23.949  162.084   10.373  165.548   10.675 -3.464630 14.88513 
1 1 1  -41    3   55 o  181.989   5.1335  231.001   12.652  222.459   17.947  239.439   17.838  178.530   7.4180  185.447   7.0981 -6.916763 10.26691 
1 1 1  -41    3   56 o  140.249   5.3060  137.491   10.083  139.964   14.410  135.119   14.113  141.477   7.5159  139.021   7.4916 2.456131 10.61192 
1 1 1  -41    3   57 o   75.824   6.9291   40.840   7.0411   49.847   10.408   33.239   9.5612   83.727   9.1729   67.920   10.388 15.80689 13.85829 
1 1 1  -41    3   58 o   59.973   8.4918   27.242   6.6515   27.065   9.6782   27.400   9.1567   59.593   12.388   60.353   11.618 -0.7593040 16.98354 
1 1 1  -41    3   59 o   81.268   8.7980   49.524   8.8069   49.526   10.766   49.520   15.311   83.145   9.5552   79.390   14.776 3.755219 17.59599 
1 1 1  -41    3   60 o   58.639   9.6193   25.975   7.4046   21.426   9.5013   33.012   11.817   52.332   13.354   64.946   13.849 -12.61401 19.23860 
1 1 1  -41    3   61 o  109.214   6.5813   80.132   9.4060   65.278   11.609  108.518   16.048   95.627   8.9584  122.801   9.6436 -27.17422 13.16253 
1 1 1  -41    3   62 o  158.678   6.0758  178.123   12.565  175.126   15.716  183.434   20.920  157.869   7.3461  159.486   9.6797 -1.617065 12.15165 
1 1 1  -41    3   63 o   70.783   8.5525   35.408   7.7818   26.427   9.7339   51.314   12.954   58.333   12.676   83.233   11.485 -24.89944 17.10496 
1 1 1  -41    3   64 o   63.722   9.1421   28.400   7.7293   16.006   9.6553   50.513   12.897   44.999   14.179   82.444   11.544 -37.44492 18.28428 
1 1 1  -41    3   65 o   83.541   8.3497   54.394   8.6799   60.463   11.134   44.991   13.859   91.758   8.9540   75.324   14.096 16.43431 16.69932 
1 1 1  -41    3   66 o   89.995   7.4561   58.596   8.8258   55.642   11.111   63.645   14.528   87.730   9.3461   92.260   11.620 -4.530128 14.91226 
1 1 1  -41    3   67 o   53.979   15.726   24.432   12.206   0.0000   0.0000   24.432   12.206  ?   ?    53.979   15.726      ?      ? 
1 1 1  -41    3   68 o   41.612   15.463   12.958   11.632   0.0000   0.0000   12.958   11.632  ?   ?    41.612   15.463      ?      ? 
1 1 1  -41    3   69 o   42.193   15.631   13.620   11.870   0.0000   0.0000   13.620   11.870  ?   ?    42.193   15.631      ?      ? 
1 1 1  -41    3   70 o   86.280   12.301   57.114   14.382   0.0000   0.0000   57.114   14.382  ?   ?    86.280   12.301      ?      ? 
1 1 1  -41    3   71 o   59.882   15.793   30.856   13.000   0.0000   0.0000   30.856   13.000  ?   ?    59.882   15.793      ?      ? 
1 1 1  -41    3   72 o   80.120   13.163   50.682   14.292   0.0000   0.0000   50.682   14.292  ?   ?    80.120   13.163      ?      ? 
1 1 1  -41    4    1 o   70.400   6.8753   34.429   6.5038   32.812   8.5776   36.616   9.9755   68.581   9.2296   72.219   10.193 -3.638618 13.75066 
1 1 1  -41    4    2 o   86.458   6.2996   50.849   7.2946   44.259   9.4844   60.393   11.414   79.788   8.7719   93.128   9.0440 -13.34032 12.59918 
1 1 1  -41    4    3 o  161.240   4.5864  177.750   9.9663  186.448   15.036  170.934   13.310  164.653   6.7387  157.826   6.2234 6.827591 9.172841 
1 1 1  -41    4    4 o  149.067   4.6568  151.777   9.3656  161.906   14.065  143.708   12.554  153.453   6.7636  144.682   6.4028 8.771469 9.313520 
1 1 1  -41    4    5 f  153.357   4.6540  161.733   9.6347  159.036   14.193  164.038   13.121  152.071   6.8873  154.642   6.2612 -2.570862 9.307929 
1 1 1  -41    4    6 o  128.523   4.8146  112.744   8.3424  121.021   12.594  106.271   11.136  132.645   7.0061  124.402   6.6058 8.242622 9.629231 
1 1 1  -41    4    7 o  139.378   4.7699  133.562   8.9737  131.929   13.245  134.948   12.201  138.500   7.0568  140.255   6.4194 -1.755264 9.539750 
1 1 1  -41    4    8 f  140.096   4.7923  134.657   9.0660  136.445   13.434  133.161   12.286  140.876   7.0367  139.316   6.5075 1.559631 9.584533 
1 1 1  -41    4    9 o  167.158   4.7000  192.355   10.609  182.523   15.406  201.220   14.630  162.976   6.9757  171.341   6.3009 -8.364410 9.400089 
1 1 1  -41    4   10 o  138.827   4.8333  131.941   9.0667  137.354   13.437  127.418   12.284  141.385   7.0134  136.270   6.6523 5.115067 9.666520 
1 1 1  -41    4   11 o  150.832   4.7937  155.526   9.7630  163.236   14.558  149.225   13.161  154.160   6.9688  147.503   6.5842 6.657654 9.587302 
1 1 1  -41    4   12 o  168.028   4.7608  194.483   10.793  182.616   15.694  205.132   14.866  163.027   7.1037  173.030   6.3402 -10.00284 9.521578 
1 1 1  -41    4   13 o  125.475   5.0903  108.041   8.6249  110.043   12.793  106.372   11.678  126.472   7.4644  124.477   6.9230 1.995216 10.18066 
1 1 1  -41    4   14 o  143.024   4.9577  140.182   9.5718  143.541   14.244  137.417   12.925  144.511   7.2735  141.537   6.7388 2.973953 9.915380 
1 1 1  -41    4   15 o  161.007   6.0075  172.180   12.001  196.424   22.572  162.626   14.169  168.046   9.9118  153.967   6.7910 14.07910 12.01503 
1 1 1  -41    4   16 o  228.878   6.9676  366.582   21.456  333.931   31.267  395.638   29.496  218.759   10.547  238.997   9.1074 -20.23859 13.93513 
1 1 1  -41    4   17 o  205.831   9.1295  293.444   25.465   0.0000   0.0000  293.444   25.465  ?   ?   205.831   9.1295      ?      ? 
1 1 1  -41    4   18 o  172.919   7.2006  205.724   16.561  220.837   26.422  195.945   21.254  177.715   10.971  168.123   9.3288 9.592194 14.40112 
1 1 1  -41    4   19 o  190.161   5.6581  247.601   13.902  244.001   17.188  254.412   23.643  188.641   6.7235  191.681   9.1021 -3.040527 11.31610 
1 1 1  -41    4   20 o  166.565   5.4353  194.580   10.879  199.150   12.815  182.791   20.584  170.750   5.5381  162.380   9.3541 8.369232 10.87065 
1 1 1  -41    4   21 o  175.137   5.2869  206.163   11.185  200.630   13.049  221.487   21.717  171.363   5.6192  178.912   8.9572 -7.549332 10.57388 
1 1 1  -41    4   22 o  190.180   5.4502  252.994   12.464  258.067   14.674  239.856   23.615  194.363   5.5713  185.998   9.3692 8.364609 10.90046 
1 1 1  -41    4   23 o  178.236   5.3940  220.310   11.636  222.526   13.715  214.620   21.980  180.471   5.6080  176.000   9.2157 4.470535 10.78790 
1 1 1  -41    4   24 f  211.382   5.6443  305.328   16.168  305.328   16.168   0.0000   0.0000  211.382   5.6443  ?   ?       ?      ? 
1 1 1  -41    4   25 o  249.135   5.7753  424.319   19.498  424.319   19.498   0.0000   0.0000  249.135   5.7753  ?   ?       ?      ? 
1 1 1  -41    4   26 o  152.091   5.7504  168.806   10.433  181.312   12.428  138.952   19.202  162.886   5.6303  141.296   10.028 21.58968 11.50076 
1 1 1  -41    4   27 o  141.435   5.5185  138.145   9.4865  138.611   11.192  136.958   17.876  142.376   5.8010  140.494   9.3895 1.882629 11.03694 
1 1 1  -41    4   28 o  121.554   5.7195  102.571   8.4804  103.456   10.043  100.371   15.830  122.953   6.0276  120.156   9.7222 2.797211 11.43908 
1 1 1  -41    4   29 o  176.220   5.4512  217.643   11.648  222.632   13.795  205.252   21.743  180.467   5.6408  171.973   9.3297 8.494659 10.90242 
1 1 1  -41    4   30 f  158.463   6.8712  172.411   14.755  172.411   14.755   0.0000   0.0000  158.463   6.8712  ?   ?       ?      ? 
1 1 1  -41    4   31 f  136.573   4.9705  128.611   9.1594  115.903   13.026  141.039   12.882  129.771   7.4072  143.374   6.6301 -13.60313 9.941060 
1 1 1  -41    4   32 o  164.157   4.8465  185.122   10.770  184.349   15.579  185.830   14.904  163.774   7.0196  164.540   6.6843 -0.7654114 9.693042 
1 1 1  -41    4   33 o  136.132   5.0266  127.681   9.2534  122.640   13.349  132.344   12.838  133.462   7.3811  138.801   6.8254 -5.339401 10.05319 
1 1 1  -41    4   34 o  154.801   4.8862  164.701   10.237  164.959   14.858  164.467   14.126  154.862   7.0798  154.740   6.7364 0.1216431 9.772498 
1 1 1  -41    4   35 o  131.145   5.1367  117.954   9.1050  124.941   13.486  112.101   12.343  134.663   7.3900  127.627   7.1367 7.035828 10.27343 
1 1 1  -41    4   36 o  161.117   6.3380  188.364   12.633  158.999   22.034  202.741   15.418  150.440   10.808  171.795   6.6227 -21.35544 12.67592 
1 1 1  -41    4   37 o  151.500   7.0040  159.845   14.334  167.662   21.309  153.386   19.370  154.748   10.162  148.252   9.6418 6.496185 14.00798 
1 1 1  -41    4   38 o  173.405   5.9794  211.889   13.494  221.849   17.123  195.566   21.920  179.484   7.0401  167.327   9.6671 12.15654 11.95888 
1 1 1  -41    4   39 o   86.322   6.3623   51.519   7.4166   56.652   11.048   47.308   10.006   90.198   9.0390   82.445   8.9560 7.753014 12.72452 
1 1 1  -41    4   40 o   84.145   6.3427   49.803   7.1522   44.669   10.549   54.171   9.7302   79.885   9.7442   88.405   8.1220 -8.519676 12.68533 
1 1 1  -41    4   41 o   68.933   7.6768   35.454   6.6423   23.369   9.6197   46.466   9.1827   56.053   12.928   81.814   8.2825 -25.76025 15.35360 
1 1 1  -41    4   42 o   69.776   7.0560   34.327   6.6256   32.922   9.8383   35.493   8.9627   68.299   10.630   71.254   9.2820 -2.955780 14.11205 
1 1 1  -41    4   43 o   64.551   9.5920   31.009   7.9445   30.615   10.117   31.642   12.832   64.591   12.000   64.510   14.968 0.8146667E-01 19.18390 
1 1 1  -41    4   44 o  105.515   6.9615   77.252   9.5547   74.638   11.867   82.072   16.112  103.515   8.4594  107.515   11.058 -3.999817 13.92300 
1 1 1  -41    4   45 o  112.572   5.4655   87.295   8.3038   95.325   12.446   80.853   11.148  117.166   7.8386  107.978   7.6186 9.187981 10.93094 
1 1 1  -41    4   46 o  100.754   7.4162   72.793   9.0317   69.872   16.939   73.953   10.676   98.283   12.718  103.224   7.6319 -4.941055 14.83249 
1 1 1  -41    4   47 o   40.291   10.275   8.0725   6.5574   18.220   12.949   4.5728   7.6046   49.413   16.488   31.168   12.267 18.24457 20.55061 
1 1 1  -41    4   48 o   44.093   9.1742   14.708   6.0262   10.080   9.1714   18.223   7.9941   38.830   13.832   49.356   12.056 -10.52605 18.34840 
1 1 1  -41    4   49 o   91.567   5.9705   58.096   7.3710   65.818   11.081   51.967   9.8715   96.974   8.4325   86.161   8.4546 10.81294 11.94097 
1 1 1  -41    4   50 o   88.320   6.1531   54.742   7.3316   55.149   10.905   54.406   9.9037   88.475   9.0955   88.164   8.2895 0.3116455 12.30627 
1 1 1  -41    4   51 o   41.657   7.8508   11.170   6.0403  -5.6795   8.9870   25.054   8.1577   24.928   11.487   58.386   10.705 -33.45732 15.70163 
1 1 1  -41    4   52 o  121.599   5.4255  103.190   8.9253  104.132   13.026  102.356   12.254  122.025   7.8774  121.174   7.4625 0.8514175 10.85093 
1 1 1  -41    4   53 o  145.319   5.2496  146.929   10.323  154.810   15.105  140.022   14.140  148.932   7.4842  141.706   7.3635 7.225723 10.49923 
1 1 1  -41    4   54 o   84.903   7.8971   52.445   8.4574   51.506   14.813   52.898   10.301   83.287   13.125   86.519   8.7863 -3.232292 15.79424 
1 1 1  -41    4   55 o   89.848   6.1889   56.572   7.4944   65.306   11.184   49.454   10.096   96.155   8.5832   83.540   8.9185 12.61481 12.37782 
1 1 1  -41    4   56 o   92.706   6.1401   61.096   7.6767   57.004   11.142   64.794   10.592   89.501   9.1866   95.911   8.1493 -6.410179 12.28028 
1 1 1  -41    4   57 o  114.314   5.6447   92.175   8.7255   88.438   12.576   95.644   12.116  111.905   8.2930  116.723   7.6601 -4.817665 11.28940 
1 1 1  -41    4   58 o   64.394   8.9418   29.520   7.5291   21.183   9.5223   43.424   12.298   52.064   13.414   76.724   11.828 -24.65983 17.88363 
1 1 1  -41    4   59 o   96.147   12.043   68.571   15.691   68.571   15.691   0.0000   0.0000   96.147   12.043  ?   ?       ?      ? 
1 1 1  -41    4   60 o  131.727   10.660  126.552   19.029  126.552   19.029   0.0000   0.0000  131.727   10.660  ?   ?       ?      ? 
1 1 1  -41    4   61 o   29.988   9.1214   0.7447   6.9312   5.1949   8.6736  -7.1181   11.529   32.401   12.987   27.574   12.812 4.827379 18.24274 
1 1 1  -41    4   62 o   97.888   7.1604   68.944   9.1814   66.887   11.537   72.498   15.163   96.730   8.8013   99.047   11.297 -2.316986 14.32070 
1 1 1  -41    4   63 o  145.885   6.4978  158.452   12.186  175.738   15.608  131.464   19.502  158.014   7.2888  133.756   10.759 24.25807 12.99567 
1 1 1  -41    4   64 o   86.103   7.5931   54.458   8.6379   54.066   11.068   55.069   13.815   86.483   9.4444   85.723   11.892 0.7598877 15.18611 
1 1 1  -41    4   65 o  126.544   8.1246  121.709   13.588  101.259   20.177  138.682   18.382  115.060   12.941  138.028   9.8275 -22.96866 16.24925 
1 1 1  -41    4   66 o   49.733   11.417   20.977   9.2780   12.803   14.386   26.798   12.140   42.759   16.858   56.708   15.400 -13.94929 22.83359 
1 1 1  -41    4   67 o   51.706   11.623   23.040   9.2715   19.192   14.365   25.787   12.138   48.017   17.289   55.395   15.539 -7.378170 23.24584 
1 1 1  -41    4   68 o   56.329   15.577   26.839   12.290   0.0000   0.0000   26.839   12.290  ?   ?    56.329   15.577      ?      ? 
1 1 1  -41    4   69 o   58.503   15.352   28.942   12.324   0.0000   0.0000   28.942   12.324  ?   ?    58.503   15.352      ?      ? 
1 1 1  -41    4   70 o   62.880   15.088   33.296   12.693   0.0000   0.0000   33.296   12.693  ?   ?    62.880   15.088      ?      ? 
1 1 1  -41    4   71 o   44.000   15.892   16.013   12.150   0.0000   0.0000   16.013   12.150  ?   ?    44.000   15.892      ?      ? 
1 1 1  -41    4   72 o   59.048   15.915   30.674   13.024   0.0000   0.0000   30.674   13.024  ?   ?    59.048   15.915      ?      ? 
1 1 1  -41    5    1 o  156.561   5.8322  177.996   11.023  152.563   20.122  188.901   13.175  147.232   10.085  165.890   5.8608 -18.65779 11.66442 
1 1 1  -41    5    2 o   86.055   7.5978   57.992   7.1024   42.882   13.675   63.573   8.3111   75.968   13.792   96.141   6.3792 -20.17303 15.19562 
1 1 1  -41    5    3 o  132.235   5.8755  120.837   9.3747  122.761   17.960  120.116   10.991  132.222   10.024  132.248   6.1327 -0.2655029E-01 11.75092 
1 1 1  -41    5    4 o   95.866   6.3418   59.674   7.4082   74.331   14.608   54.600   8.5955  102.760   10.490   88.972   7.1291 13.78772 12.68355 
1 1 1  -41    5    5 o  118.111   6.1763   98.689   8.7302   93.278   16.618  100.752   10.260  115.095   10.654  121.126   6.2508 -6.031258 12.35268 
1 1 1  -41    5    6 o  140.439   6.6626  136.620   12.590  146.109   19.202  129.466   16.674  144.514   9.8054  136.364   9.0231 8.149979 13.32524 
1 1 1  -41    5    7 o  161.573   5.6765  181.494   12.081  184.370   15.454  176.975   19.372  163.643   6.9686  159.503   8.9626 4.140320 11.35298 
1 1 1  -41    5    8 o   99.754   5.2310   67.749   7.0027   74.823   10.854   62.704   9.1656  104.086   7.6950   95.421   7.0881 8.664894 10.46205 
1 1 1  -41    5    9 o   68.389   6.4950   31.765   5.9430   39.499   9.2169   26.261   7.7753   75.374   9.0236   61.403   9.3443 13.97169 12.99000 
1 1 1  -41    5   10 f   74.259   6.1536   37.665   6.1444   43.933   9.3905   32.972   8.1251   79.576   8.7080   68.941   8.6969 10.63522 12.30718 
1 1 1  -41    5   11 o  124.770   4.9363  107.661   8.2831  101.390   12.272  112.909   11.226  121.281   7.4667  128.259   6.4589 -6.978844 9.872612 
1 1 1  -41    5   12 o  117.680   5.0839   95.662   8.0589   91.740   11.920   98.964   10.937  115.335   7.6269  120.025   6.7243 -4.689507 10.16789 
1 1 1  -41    5   13 o  115.172   6.9581   91.197   10.860   0.0000   0.0000   91.197   10.860  ?   ?   115.172   6.9581      ?      ? 
1 1 1  -41    5   14 o  128.590   5.0678  112.048   8.7582  127.898   13.479  100.467   11.522  136.305   7.2974  120.874   7.0340 15.43060 10.13558 
1 1 1  -41    5   15 o  208.950   5.2908  305.029   13.409  310.677   15.864  290.898   25.094  213.176   5.4915  204.725   9.0450 8.451172 10.58154 
1 1 1  -41    5   16 o  101.604   6.0453   75.043   7.3293   79.782   8.7044   63.496   13.587  107.949   5.9503   95.259   10.525 12.68990 12.09069 
1 1 1  -41    5   17 o   94.518   5.9404   60.793   6.8118   59.577   7.9831   64.050   13.063   93.224   6.3192   95.812   10.061 -2.587517 11.88081 
1 1 1  -41    5   18 o  241.095   5.5526  412.433   16.042  426.931   18.933  375.531   30.207  249.877   5.5914  232.314   9.5950 17.56255 11.10527 
1 1 1  -41    5   19 o  200.499   5.7582  280.526   15.161  290.306   19.405  265.204   24.289  205.541   6.9667  195.457   9.1702 10.08415 11.51638 
1 1 1  -41    5   20 o   92.015   7.0353   60.893   8.4559   69.172   11.130   49.591   13.004  100.062   8.2083   83.969   11.428 16.09316 14.07067 
1 1 1  -41    5   21 o   87.102   6.5406   55.613   6.7823   59.516   8.0646   46.182   12.536   93.170   6.3874   81.034   11.416 12.13577 13.08125 
1 1 1  -41    5   22 o  208.955   5.3242  300.514   13.440  300.259   15.781  301.190   25.646  209.568   5.5568  208.343   9.0836 1.224380 10.64847 
1 1 1  -41    5   23 o  246.018   5.4995  418.376   16.333  419.665   19.189  414.990   31.114  247.690   5.7170  244.345   9.3966 3.344589 10.99908 
1 1 1  -41    5   24 o   83.512   6.6245   49.298   6.8075   50.551   8.1506   46.410   12.379   85.757   7.0135   81.267   11.240 4.490715 13.24904 
1 1 1  -41    5   25 o  100.763   6.1677   73.195   7.5754   77.530   9.1015   63.421   13.667  106.344   6.3156   95.181   10.596 11.16278 12.33530 
1 1 1  -41    5   26 f  220.183   5.6859  331.648   16.965  331.648   16.965   0.0000   0.0000  220.183   5.6859  ?   ?       ?      ? 
1 1 1  -41    5   27 o  127.931   6.0420  112.109   10.475  112.109   10.475   0.0000   0.0000  127.931   6.0420  ?   ?       ?      ? 
1 1 1  -41    5   28 o  113.742   5.7387   87.198   8.1211   83.970   9.6460   95.055   15.050  110.631   6.4341  116.853   9.5043 -6.222092 11.47735 
1 1 1  -41    5   29 o  121.361   5.7657  103.904   8.6226  107.095   10.346   96.647   15.603  125.008   6.1072  117.715   9.7815 7.292747 11.53149 
1 1 1  -41    5   30 o  123.163   5.8896  108.753   8.8420  114.337   10.597   95.956   16.042  129.168   6.0539  117.159   10.104 12.00974 11.77915 
1 1 1  -41    5   31 o   64.110   8.3750   30.616   6.4844   32.301   7.8161   26.895   11.614   68.281   8.4471   59.939   14.464 8.341381 16.74990 
1 1 1  -41    5   32 o   69.618   7.8453   33.402   7.2233   30.965   9.1312   37.478   11.808   66.517   10.130   72.718   11.982 -6.201164 15.69065 
1 1 1  -41    5   33 o   98.463   6.6826   69.168   8.5688   74.360   10.986   61.102   13.693  103.732   7.8151   93.194   10.842 10.53773 13.36524 
1 1 1  -41    5   34 o  168.218   5.7169  195.093   12.629  192.663   15.961  199.162   20.652  167.254   7.0422  169.182   9.0078 -1.928146 11.43386 
1 1 1  -41    5   35 o  149.861   4.9282  154.859   9.9821  151.834   14.568  157.536   13.705  148.382   7.2452  151.340   6.6824 -2.957794 9.856336 
1 1 1  -41    5   36 o  123.324   5.1304  104.521   8.5488  110.037   12.690   99.939   11.567  126.241   7.4181  120.406   7.0891 5.834503 10.26078 
1 1 1  -41    5   37 o  102.282   5.5028   72.230   7.6005   74.397   11.295   70.437   10.275  103.607   8.0448  100.957   7.5101 2.650215 11.00551 
1 1 1  -41    5   38 o  138.577   6.2813  133.288   10.838  135.216   19.696  132.450   12.980  138.533   10.492  138.621   6.9096 -0.8792114E-01 12.56267 
1 1 1  -41    5   39 o   90.141   6.0823   56.983   7.3633   52.427   10.872   60.844   10.008   86.595   9.2646   93.688   7.8831 -7.092354 12.16453 
1 1 1  -41    5   40 o  168.739   4.9599  196.835   11.314  191.472   16.442  201.660   15.593  166.428   7.2901  171.050   6.7272 -4.622559 9.919736 
1 1 1  -41    5   41 o  203.043   4.9135  284.670   13.502  283.412   19.576  285.812   18.647  202.514   7.1331  203.572   6.7593 -1.058365 9.826916 
1 1 1  -41    5   42 o   90.833   6.1537   56.656   7.5012   68.870   11.400   47.331   9.9615   99.396   8.4637   82.269   8.9352 17.12730 12.30739 
1 1 1  -41    5   43 o  127.196   6.6393  115.313   10.409  109.267   18.875  117.956   12.479  123.787   11.252  130.605   7.0505 -6.818062 13.27851 
1 1 1  -41    5   44 o  162.043   7.3492  186.664   16.004  158.725   22.460  215.480   22.809  149.177   11.110  174.910   9.6231 -25.73256 14.69833 
1 1 1  -41    5   45 o  129.194   6.5118  115.909   10.916  112.511   13.528  122.249   18.480  127.148   7.8513  131.240   10.391 -4.091843 13.02358 
1 1 1  -41    5   46 o  125.223   5.2791  109.332   8.9184  103.421   13.004  114.582   12.254  121.841   7.8759  128.605   7.0316 -6.764099 10.55812 
1 1 1  -41    5   47 o   63.736   7.8106   29.517   6.5404   29.227   9.8500   29.744   8.7470   62.709   12.029   64.763   9.9666 -2.054150 15.62125 
1 1 1  -41    5   48 o   94.110   5.9571   62.239   7.5494   60.479   11.224   63.692   10.202   92.697   8.9354   95.524   7.8808 -2.827744 11.91425 
1 1 1  -41    5   49 o  104.218   5.6832   75.775   8.0135   79.654   11.748   72.400   10.959  106.669   8.1271  101.767   7.9465 4.901688 11.36650 
1 1 1  -41    5   50 o   96.975   6.0610   67.262   7.7980   53.459   11.241   80.065   10.826   86.786   9.5585  107.165   7.4550 -20.37962 12.12198 
1 1 1  -41    5   51 o  128.930   5.3000  116.154   9.2289  114.485   13.558  117.596   12.598  127.896   7.8226  129.962   7.1533 -2.066010 10.60009 
1 1 1  -41    5   52 o   60.498   8.2730   26.996   6.4841   30.695   9.9941   24.307   8.5209   63.982   11.967   57.013   11.427 6.968380 16.54591 
1 1 1  -41    5   53 o   72.994   7.0366   37.886   6.9210   43.931   10.223   32.771   9.4040   78.462   9.6144   67.525   10.277 10.93776 14.07318 
1 1 1  -41    5   54 o  102.889   7.5719   82.334   9.4196   60.917   16.157   93.362   11.594   90.260   13.209  115.519   7.4061 -25.25895 15.14390 
1 1 1  -41    5   55 o   40.425   10.160   11.486   6.7235   11.974   11.710   11.245   8.2119   41.675   15.509   39.175   13.130 2.499611 20.32042 
1 1 1  -41    5   56 o   50.691   9.6181   20.675   7.2803   28.938   9.8033   10.514   10.871   61.703   12.157   39.679   14.908 22.02406 19.23619 
1 1 1  -41    5   57 o   92.316   6.9738   60.458   8.5431   56.987   10.902   65.983   13.753   89.392   8.9993   95.240   10.656 -5.847229 13.94763 
1 1 1  -41    5   58 o   93.239   7.1638   63.271   8.7813   64.513   11.239   61.325   14.070   95.198   8.7118   91.280   11.375 3.918442 14.32755 
1 1 1  -41    5   59 o   62.755   9.4687   30.504   7.6510   29.483   9.7741   32.119   12.295   62.148   12.041   63.362   14.617 -1.214321 18.93730 
1 1 1  -41    5   60 o   54.663   12.932   23.372   9.4300   23.372   9.4300   0.0000   0.0000   54.663   12.932  ?   ?       ?      ? 
1 1 1  -41    5   61 o   87.529   8.2835   60.386   8.8583   69.725   11.360   45.900   14.149   98.911   8.4753   76.147   14.235 22.76400 16.56695 
1 1 1  -41    5   62 o   72.498   9.0706   41.924   8.2580   46.964   10.586   34.089   13.200   80.495   9.7043   64.501   15.327 15.99419 18.14118 
1 1 1  -41    5   63 o   80.700   9.8168   50.472   10.472   56.047   15.927   46.227   13.900   84.983   13.830   76.417   13.936 8.566345 19.63354 
1 1 1  -41    5   64 o   88.873   9.6557   62.437   11.118   55.130   16.582   68.403   14.984   82.134   15.465   95.612   11.565 -13.47823 19.31135 
1 1 1  -41    5   65 o   91.058   10.089   67.246   11.692   54.929   17.623   76.931   15.627   80.683   16.669  101.433   11.369 -20.74951 20.17716 
1 1 1  -41    5   68 o   43.111   16.003   14.669   12.452   0.0000   0.0000   14.669   12.452  ?   ?    43.111   16.003      ?      ? 
1 1 1  -41    5   69 o   50.550   15.924   22.113   12.178   0.0000   0.0000   22.113   12.178  ?   ?    50.550   15.924      ?      ? 
1 1 1  -41    5   70 o   50.779   15.938   22.560   12.212   0.0000   0.0000   22.560   12.212  ?   ?    50.779   15.938      ?      ? 
1 1 1  -41    5   71 o   63.100   15.799   34.833   13.479   0.0000   0.0000   34.833   13.479  ?   ?    63.100   15.799      ?      ? 
1 1 1  -41    5   72 o   44.490   16.259   17.127   12.772   0.0000   0.0000   17.127   12.772  ?   ?    44.490   16.259      ?      ? 
1 1 1  -41    6    1 o  172.047   4.4767  203.303   10.318  208.277   15.917  199.698   13.550  173.654   6.7637  170.441   5.8666 3.212967 8.953462 
1 1 1  -41    6    2 o  132.792   4.6191  120.882   8.1899  125.632   12.824  117.610   10.643  134.805   7.0200  130.779   6.0054 4.025375 9.238261 
1 1 1  -41    6    3 o  110.880   5.8398   86.340   8.6727   91.977   11.676   79.404   12.953  115.220   7.4782  106.541   8.9715 8.678749 11.67950 
1 1 1  -41    6    4 o   93.743   6.2053   62.360   7.7421   71.085   10.572   52.267   11.370  101.250   7.7049   86.237   9.7292 15.01350 12.41064 
1 1 1  -41    6    5 o  115.924   4.8537   92.814   7.4777   92.144   11.755   93.268   9.6914  115.365   7.5191  116.482   6.1397 -1.116211 9.707355 
1 1 1  -41    6    6 o  117.837   4.8635   96.254   7.6168   93.119   11.887   98.437   9.9209  115.985   7.5631  119.690   6.1166 -3.704620 9.726955 
1 1 1  -41    6    7 o  109.943   4.9596   82.307   7.2896   89.870   11.463   77.173   9.4452  114.011   7.4197  105.875   6.5832 8.135445 9.919152 
1 1 1  -41    6    8 o  109.818   7.7578   83.505   11.545   83.505   11.545   0.0000   0.0000  109.818   7.7578  ?   ?       ?      ? 
1 1 1  -41    6    9 o  173.964   6.1990  207.879   14.614   0.0000   0.0000  207.879   14.614  ?   ?   173.964   6.1990      ?      ? 
1 1 1  -41    6   10 o  155.334   5.7277  164.491   11.691  156.398   14.673  178.560   19.346  150.561   7.1915  160.107   8.9166 -9.545502 11.45530 
1 1 1  -41    6   11 o  159.451   5.8611  179.398   12.203  189.153   15.591  163.967   19.608  165.699   6.9433  153.203   9.4445 12.49586 11.72211 
1 1 1  -41    6   12 o  113.149   5.0702   88.389   7.7127   87.363   11.621   89.197   10.311  112.432   7.6271  113.865   6.6824 -1.433250 10.14039 
1 1 1  -41    6   13 o  153.839   4.7557  162.083   9.8583  169.521   14.879  156.262   13.162  156.874   6.9989  150.803   6.4407 6.070862 9.511421 
1 1 1  -41    6   14 o  165.801   5.3230  198.891   10.654  211.863   12.743  168.768   19.418  175.985   5.3433  155.618   9.2080 20.36639 10.64604 
1 1 1  -41    6   15 o  106.350   6.2589   88.743   7.5831  101.987   9.0706   58.000   13.820  122.076   5.4831   90.625   11.253 31.45033 12.51786 
1 1 1  -41    6   16 o  177.310   5.1683  217.309   11.118  217.986   13.102  215.567   21.012  178.500   5.4165  176.120   8.8038 2.379456 10.33663 
1 1 1  -41    6   17 o  172.342   5.3593  215.264   11.117  229.612   13.279  181.656   20.324  183.225   5.3483  161.459   9.2890 21.76558 10.71865 
1 1 1  -41    6   18 o  122.142   5.3957  104.345   8.0732  106.246   9.6131   99.795   14.871  124.561   5.6951  119.722   9.1663 4.838783 10.79146 
1 1 1  -41    6   19 o   62.141   7.7394   29.782   5.6427   32.937   6.7805   22.676   10.177   69.132   7.2377   55.150   13.682 13.98195 15.47880 
1 1 1  -41    6   20 f   36.636   8.5443   9.5218   4.9918   11.773   5.9644   4.2570   9.1209   40.227   10.740   33.045   13.292 7.181416 17.08860 
1 1 1  -41    6   21 o   48.069   8.5821   14.763   5.2475   11.088   6.1970   24.075   9.8648   39.136   11.147   57.002   13.052 -17.86547 17.16413 
1 1 1  -41    6   22 o   48.982   9.5562   18.098   6.9352   24.598   9.3098   9.9930   10.395   57.862   12.254   40.101   14.667 17.76118 19.11235 
1 1 1  -41    6   23 o  133.818   5.4873  126.701   9.0495  131.337   10.877  116.274   16.312  138.464   5.7967  129.171   9.3189 9.293030 10.97462 
1 1 1  -41    6   24 o  178.841   5.2963  223.262   11.647  226.989   13.897  214.468   21.348  182.083   5.6323  175.599   8.9712 6.483215 10.59270 
1 1 1  -41    6   25 o  172.596   5.3088  207.503   11.304  210.334   13.509  200.889   20.646  175.252   5.6882  169.940   8.9653 5.312347 10.61751 
1 1 1  -41    6   26 o  109.880   6.4397   87.761   9.1215  101.591   11.899   68.048   14.205  121.393   7.2331   98.368   10.656 23.02488 12.87930 
1 1 1  -41    6   27 o  178.346   5.6739  221.204   13.232  224.239   16.732  216.138   21.618  180.504   6.8404  176.189   9.0544 4.314713 11.34786 
1 1 1  -41    6   28 o  143.273   7.1005  141.468   13.786  141.468   13.786   0.0000   0.0000  143.273   7.1005  ?   ?       ?      ? 
1 1 1  -41    6   29 o  117.165   6.5095   94.369   10.336   94.369   10.336   0.0000   0.0000  117.165   6.5095  ?   ?       ?      ? 
1 1 1  -41    6   30 o  162.664   5.4503  185.915   10.935  190.392   13.104  175.649   19.842  166.655   5.8025  158.674   9.2280 7.981491 10.90070 
1 1 1  -41    6   31 o  154.729   5.4275  165.765   10.393  166.040   12.409  165.119   19.018  155.594   5.8853  153.865   9.1210 1.729279 10.85492 
1 1 1  -41    6   32 o  168.214   5.5866  202.218   11.444  211.248   13.680  181.167   20.887  175.534   5.7510  160.893   9.5795 14.64087 11.17327 
1 1 1  -41    6   33 o  104.659   6.0757   75.108   7.8841   73.496   9.3765   78.997   14.565  103.309   6.6976  106.010   10.139 -2.701202 12.15143 
1 1 1  -41    6   34 o  102.310   6.1035   70.831   7.7944   67.758   9.2715   78.237   14.393   99.129   6.9019  105.491   10.068 -6.362144 12.20698 
1 1 1  -41    6   35 o  119.476   5.1837   98.259   8.3718  104.761   12.387   92.791   11.359  123.067   7.4272  115.884   7.2333 7.182930 10.36741 
1 1 1  -41    6   36 o  106.649   5.3838   78.318   7.7507   84.110   11.601   73.647   10.417  110.140   7.7725  103.157   7.4517 6.982758 10.76752 
1 1 1  -41    6   37 o   94.919   5.7417   61.925   7.3369   68.954   11.187   56.620   9.7191   99.540   8.2935   90.298   7.9426 9.242043 11.48336 
1 1 1  -41    6   38 o  117.091   6.4975   95.254   9.3938   98.031   17.368   94.106   11.168  117.499   10.908  116.684   7.0630 0.8151016 12.99501 
1 1 1  -41    6   39 o  137.038   6.8471  129.706   12.715   0.0000   0.0000  129.706   12.715  ?   ?   137.038   6.8471      ?      ? 
1 1 1  -41    6   40 o  176.620   6.2165  222.382   13.532  207.777   24.461  228.822   16.244  171.133   10.548  182.108   6.5822 -10.97456 12.43293 
1 1 1  -41    6   41 o  144.105   5.0629  144.508   9.8236  136.566   14.482  151.276   13.370  140.212   7.6219  147.998   6.6663 -7.786575 10.12587 
1 1 1  -41    6   42 o  209.166   4.9660  303.868   14.031  283.492   20.153  323.036   19.547  202.121   7.3579  216.212   6.6713 -14.09084 9.932055 
1 1 1  -41    6   43 o  178.761   4.9555  221.294   11.972  222.838   17.609  219.967   16.327  179.201   7.2511  178.320   6.7565 0.8813324 9.911016 
1 1 1  -41    6   44 o  108.412   5.6050   82.317   8.1744   78.970   12.164   85.073   11.039  106.180   8.4535  110.645   7.3621 -4.464104 11.20996 
1 1 1  -41    6   45 o  115.865   6.9853   98.329   10.380  106.916   13.144   84.101   16.920  123.780   7.8360  107.951   11.566 15.82931 13.97055 
1 1 1  -41    6   46 f  121.812   6.7215  107.184   10.527  112.628   13.203   97.683   17.441  127.067   7.6675  116.557   11.042 10.51034 13.44307 
1 1 1  -41    6   47 o  179.941   4.9777  224.772   12.112  228.712   17.775  221.357   16.549  181.284   7.2356  178.597   6.8379 2.686569 9.955421 
1 1 1  -41    6   48 o  101.904   5.8996   73.295   8.0935   69.553   11.950   76.466   11.001   99.246   8.8850  104.563   7.7637 -5.317139 11.79911 
1 1 1  -41    6   49 o  145.757   5.1830  148.263   10.229  146.746   14.727  149.677   14.218  144.939   7.4980  146.575   7.1580 -1.635818 10.36610 
1 1 1  -41    6   50 o  123.423   5.3896  106.749   8.9967  104.084   13.033  109.176   12.435  121.806   7.8955  125.040   7.3385 -3.234657 10.77929 
1 1 1  -41    6   51 o   61.747   8.1542   28.506   6.5548   28.960   9.6642   28.119   8.9203   62.017   11.932   61.477   11.117 0.5398483 16.30836 
1 1 1  -41    6   52 o   99.934   6.8281   71.207   9.1104   69.965   11.876   72.983   14.202   99.317   8.8236  100.551   10.423 -1.234009 13.65627 
1 1 1  -41    6   53 f   77.701   7.6705   42.382   7.9234   33.420   10.245   55.724   12.499   67.666   11.172   87.736   10.513 -20.07053 15.34093 
1 1 1  -41    6   54 o   58.306   9.6743   26.819   7.4796   28.327   9.9311   24.843   11.370   60.851   12.463   55.760   14.800 5.090584 19.34862 
1 1 1  -41    6   55 o   49.026   11.213   18.022   8.5653   26.375   13.454   12.330   11.107   56.525   16.523   41.527   15.165 14.99805 22.42689 
1 1 1  -41    6   56 o   78.050   7.8217   43.059   8.1178   34.431   10.452   56.180   12.888   68.433   11.270   87.667   10.849 -19.23430 15.64331 
1 1 1  -41    6   57 o  106.441   6.8044   80.206   9.6386   74.378   12.343   89.315   15.431  102.016   8.9281  110.865   10.271 -8.849106 13.60887 
1 1 1  -41    6   58 o  104.170   6.7490   77.045   9.3541   72.196   11.990   84.584   14.952  100.517   8.8027  107.824   10.233 -7.306824 13.49800 
1 1 1  -41    6   59 o   77.340   7.8381   42.873   8.0892   36.945   10.396   51.969   12.878   70.907   10.819   83.773   11.344 -12.86626 15.67623 
1 1 1  -41    6   60 o   48.773   16.782   19.495   13.424   19.495   13.424   0.0000   0.0000   48.773   16.782  ?   ?       ?      ? 
1 1 1  -41    6   61 o   75.998   16.107   47.861   16.073   47.861   16.073   0.0000   0.0000   75.998   16.107  ?   ?       ?      ? 
1 1 1  -41    6   62 o   53.730   11.483   24.813   9.2704   19.309   14.309   28.794   12.170   48.388   17.273   59.072   15.135 -10.68468 22.96520 
1 1 1  -41    6   63 o   98.638   8.8826   76.134   11.425   61.725   17.338   87.191   15.188   88.343   14.483  108.934   10.289 -20.59045 17.76529 
1 1 1  -41    6   64 o  105.319   8.3984   83.525   11.856   86.204   18.220   81.558   15.614  106.010   12.683  104.627   11.013 1.383392 16.79683 
1 1 1  -41    6   65 o   68.262   10.319   40.853   10.263   14.966   14.971   63.805   14.096   44.332   17.281   92.191   11.283 -47.85927 20.63816 
1 1 1  -41    6   66 o   64.615   11.416   36.648   10.124   29.080   15.118   42.803   13.633   56.829   17.716   72.400   14.402 -15.57103 22.83134 
1 1 1  -41    6   67 o   34.540   10.170  -1.3449   8.8532   16.632   13.472 -15.0100   11.746   44.971   16.654   24.110   11.675 20.86067 20.33909 
1 1 1  -41    6   68 o  111.698   11.441   95.068   17.317   0.0000   0.0000   95.068   17.317  ?   ?   111.698   11.441      ?      ? 
1 1 1  -41    6   69 o   31.516   13.904   1.2544   11.604   0.0000   0.0000   1.2544   11.604  ?   ?    31.516   13.904      ?      ? 
1 1 1  -41    6   70 o   41.933   16.075   14.196   12.795   0.0000   0.0000   14.196   12.795  ?   ?    41.933   16.075      ?      ? 
1 1 1  -41    6   71 o   88.649   13.616   64.065   16.358   0.0000   0.0000   64.065   16.358  ?   ?    88.649   13.616      ?      ? 
1 1 1  -41    6   72 o   46.546   17.424   20.190   14.824   0.0000   0.0000   20.190   14.824  ?   ?    46.546   17.424      ?      ? 
1 1 1  -41    7    1 o   85.863   5.1274   51.469   5.6684   50.318   9.5816   52.089   7.0307   84.781   8.3398   86.944   5.9673 -2.162697 10.25476 
1 1 1  -41    7    2 o   69.073   5.8623   34.751   5.0849   29.218   8.6113   37.712   6.3006   64.220   9.8951   73.926   6.2893 -9.706711 11.72466 
1 1 1  -41    7    3 o  106.877   4.8267   80.085   6.7527   74.661   10.856   83.507   8.6242  103.571   7.7347  110.182   5.7760 -6.611862 9.653316 
1 1 1  -41    7    4 o   89.232   5.2294   54.557   6.0999   57.951   10.177   52.654   7.6204   91.113   8.2427   87.351   6.4377 3.761665 10.45878 
1 1 1  -41    7    5 o   80.396   6.6815   44.648   7.2793   0.0000   0.0000   44.648   7.2793  ?   ?    80.396   6.6815      ?      ? 
1 1 1  -41    7    6 o  111.418   4.9709   84.915   7.3059   90.123   11.914   81.777   9.2488  113.886   7.7199  108.949   6.2644 4.937897 9.941818 
1 1 1  -41    7    7 o   83.454   6.6184   49.786   7.3256   59.061   10.141   39.665   10.594   92.093   8.1259   74.814   10.449 17.27901 13.23678 
1 1 1  -41    7    8 o  103.805   5.8626   75.071   8.2192   74.924   11.175   75.244   12.130  103.812   7.9440  103.798   8.6240 0.1359558E-01 11.72515 
1 1 1  -41    7    9 o  194.730   4.6488  261.709   12.154  259.456   18.432  263.443   16.168  193.752   7.0200  195.708   6.0962 -1.956100 9.297509 
1 1 1  -41    7   10 o  181.387   4.6449  225.875   11.315  233.439   17.313  220.237   14.949  183.843   6.9494  178.931   6.1650 4.911972 9.289839 
1 1 1  -41    7   11 o   78.645   6.0820   44.264   6.2700   37.493   9.7061   49.113   8.2137   73.010   9.8102   84.280   7.1917 -11.26945 12.16395 
1 1 1  -41    7   12 o   89.502   5.5450   54.756   6.6481   60.966   10.394   50.458   8.6484   93.636   8.1916   85.368   7.4758 8.267914 11.09009 
1 1 1  -41    7   13 o   59.948   7.7664   24.918   6.3092   24.918   6.3092   0.0000   0.0000   59.948   7.7664  ?   ?       ?      ? 
1 1 1  -41    7   14 o  109.658   5.7878   82.522   8.6008   82.522   8.6008   0.0000   0.0000  109.658   5.7878  ?   ?       ?      ? 
1 1 1  -41    7   15 o   87.906   5.8649   53.569   6.4024   53.331   7.6548   54.122   11.680   88.032   6.4167   87.781   9.8190 0.2515411 11.72972 
1 1 1  -41    7   16 o  117.102   5.6791   96.142   8.5998   98.621   10.760   91.758   14.309  119.654   6.6358  114.549   9.2180 5.105713 11.35811 
1 1 1  -41    7   17 o  140.291   5.5514  139.433   10.117  148.561   12.882  124.744   16.342  146.923   6.4703  133.658   9.0226 13.26498 11.10283 
1 1 1  -41    7   18 o  154.189   5.4028  164.689   10.873  164.945   13.670  164.249   17.938  154.800   6.5167  153.577   8.6194 1.223450 10.80561 
1 1 1  -41    7   19 o  109.976   6.2403   90.414   8.5781  107.851   11.006   63.428   13.692  125.186   6.4877   94.765   10.662 30.42028 12.48055 
1 1 1  -41    7   20 o   95.128   6.0224   62.727   7.5335   61.963   9.5439   63.990   12.271   94.659   7.4402   95.597   9.4720 -0.9378815 12.04472 
1 1 1  -41    7   21 o   70.390   7.9623   41.850   6.2802   51.805   7.7000   22.070   10.854   86.750   6.5500   54.030   14.515 32.71974 15.92457 
1 1 1  -41    7   22 o  125.907   5.2139  107.032   8.2074  103.130   9.7865  116.284   15.068  122.581   5.8915  129.232   8.6040 -6.651108 10.42778 
1 1 1  -41    7   23 o  147.262   5.8770  153.883   11.437  170.322   15.167  132.214   17.413  157.063   7.1259  137.462   9.3477 19.60152 11.75407 
1 1 1  -41    7   24 o  156.378   5.6645  167.019   11.784  156.515   15.091  183.431   18.864  150.445   7.4023  162.310   8.5763 -11.86432 11.32904 
1 1 1  -41    7   25 o  112.127   5.8577   91.175   8.0103   97.050   9.6455   78.118   14.380  118.878   5.9874  105.376   10.070 13.50183 11.71538 
1 1 1  -41    7   26 o   96.882   5.8324   64.405   7.1537   62.920   8.6493   67.620   12.727   95.558   6.6793   98.206   9.5633 -2.648926 11.66489 
1 1 1  -41    7   27 o  101.746   5.6460   67.769   7.3377   60.474   8.8100   84.292   13.258   93.612   6.9448  109.880   8.9040 -16.26775 11.29209 
1 1 1  -41    7   28 o   55.144   8.4875   25.194   6.0304   30.869   7.3380   13.388   10.584   66.651   8.1243   43.637   14.905 23.01370 16.97502 
1 1 1  -41    7   29 o   88.114   6.8406   55.740   7.2620   57.351   8.5933   51.714   13.583   91.143   6.9575   85.085   11.780 6.058151 13.68126 
1 1 1  -41    7   30 o   85.467   7.3358   50.548   8.4963   50.548   8.4963   0.0000   0.0000   85.467   7.3358  ?   ?       ?      ? 
1 1 1  -41    7   31 o  177.556   5.2683  213.074   11.639  205.326   13.829  231.895   21.554  172.875   5.9029  182.237   8.7278 -9.361801 10.53655 
1 1 1  -41    7   32 o  181.757   5.3532  227.214   12.201  224.205   14.665  233.982   21.993  180.591   5.9925  182.923   8.8723 -2.332230 10.70642 
1 1 1  -41    7   33 o  103.557   6.5571   75.335   9.0851   75.853   11.972   74.633   13.950  104.270   8.4727  102.844   10.010 1.426735 13.11415 
1 1 1  -41    7   34 o   82.215   7.3926   47.776   8.1560   46.995   10.777   48.824   12.478   81.669   9.7375   82.761   11.126 -1.091606 14.78516 
1 1 1  -41    7   35 o  101.823   6.7174   73.229   9.1309   74.646   12.009   71.287   14.057  103.346   8.5750  100.301   10.342 3.045044 13.43484 
1 1 1  -41    7   36 o   79.076   7.5450   46.809   7.2183   50.648   8.9019   39.439   12.334   85.361   7.6955   72.791   12.980 12.56976 15.08991 
1 1 1  -41    7   37 o   86.396   7.0372   52.114   8.1156   48.986   10.482   56.794   12.823   83.445   9.2696   89.347   10.591 -5.902313 14.07447 
1 1 1  -41    7   38 o   93.453   5.7319   61.214   7.1923   58.694   10.791   63.229   9.6478   91.507   8.7021   95.398   7.4628 -3.891205 11.46387 
1 1 1  -41    7   39 o   62.989   7.5482   27.762   6.0911   41.711   9.4921   17.996   7.9420   76.989   9.0981   48.990   12.047 27.99894 15.09649 
1 1 1  -41    7   40 o   86.743   7.3510   51.915   7.8302   57.762   14.854   49.664   9.2144   89.171   12.293   84.316   8.0644 4.855347 14.70197 
1 1 1  -41    7   41 o   45.935   8.5962   16.487   5.7904   8.5261   8.8796   22.376   7.6376   36.699   13.535   55.170   10.601 -18.47099 17.19244 
1 1 1  -41    7   42 f   60.811   7.9668   28.148   6.2243   21.131   9.4383   33.549   8.2801   52.601   13.248   69.022   8.8525 -16.42077 15.93365 
1 1 1  -41    7   43 f   76.109   6.7414   42.191   6.7357   34.594   10.217   48.030   8.9580   69.373   10.868   82.845   7.9792 -13.47261 13.48271 
1 1 1  -41    7   44 o  135.031   5.1475  126.718   9.3934  130.840   13.890  123.244   12.751  136.945   7.4849  133.118   7.0685 3.827240 10.29505 
1 1 1  -41    7   45 o   92.111   7.5806   59.568   9.0613   55.997   11.169   66.446   15.499   88.854   9.2758   95.369   11.993 -6.515266 15.16130 
1 1 1  -41    7   46 o   62.417   9.8669   27.694   7.8275   21.722   9.5370   40.019   13.701   53.088   13.288   71.745   14.589 -18.65683 19.73370 
1 1 1  -41    7   47 o   83.436   6.3100   48.797   7.0916   56.736   10.624   42.418   9.5237   89.560   8.7540   77.312   9.0902 12.24833 12.62002 
1 1 1  -41    7   48 o   77.314   7.0197   43.857   7.1523   35.399   10.625   50.864   9.6717   69.733   11.244   84.895   8.4069 -15.16245 14.03943 
1 1 1  -41    7   49 o  118.131   6.4347   99.310   10.106   99.464   13.112   99.084   15.860  118.804   8.1446  117.459   9.9641 1.345078 12.86931 
1 1 1  -41    7   50 o   81.277   7.7902   48.626   8.4217   51.558   11.156   44.742   12.841   84.791   9.7092   77.764   12.185 7.026848 15.58035 
1 1 1  -41    7   51 o   89.101   7.2706   55.809   8.6560   46.951   11.207   68.905   13.627   80.592   10.262   97.609   10.302 -17.01701 14.54116 
1 1 1  -41    7   52 o   93.483   7.1821   64.163   8.8933   69.604   11.783   56.961   13.556   98.899   8.7922   88.068   11.359 10.83051 14.36415 
1 1 1  -41    7   53 o   84.992   7.3935   51.527   8.4350   44.222   11.102   61.504   12.974   77.971   10.507   92.014   10.405 -14.04301 14.78695 
1 1 1  -41    7   54 o   79.039   7.7210   45.057   8.1848   40.980   10.683   50.851   12.736   74.995   10.512   83.082   11.312 -8.086464 15.44206 
1 1 1  -41    7   55 o   94.180   8.4921   65.479   10.718   70.703   16.647   61.781   14.007   96.859   12.683   91.501   11.296 5.358055 16.98427 
1 1 1  -41    7   56 o  102.512   6.8197   74.392   9.3324   67.430   12.011   84.997   14.825   96.905   9.1464  108.118   10.118 -11.21339 13.63945 
1 1 1  -41    7   57 o   88.267   9.6875   62.219   10.800   50.354   16.554   71.012   14.250   78.188   16.158   98.347   10.692 -20.15897 19.37494 
1 1 1  -41    7   58 o   91.095   8.9191   61.903   10.896   70.196   16.966   56.081   14.215   95.853   13.061   86.336   12.149 9.516685 17.83827 
1 1 1  -41    7   59 o  117.800   7.8977  103.750   12.431   96.912   18.749  109.115   16.606  113.308   12.210  122.291   10.020 -8.983696 15.79545 
1 1 1  -41    7   60 o   39.399   15.903   9.3727   13.106   9.3727   13.106   0.0000   0.0000   39.399   15.903  ?   ?       ?      ? 
1 1 1  -41    7   61 o   64.867   16.880   36.220   14.981   36.220   14.981   0.0000   0.0000   64.867   16.880  ?   ?       ?      ? 
1 1 1  -41    7   62 o   63.846   11.289   34.900   9.7419   31.443   14.883   37.492   12.886   59.798   17.349   67.894   14.449 -8.095398 22.57825 
1 1 1  -41    7   63 o  109.016   8.4044   90.129   12.333   91.034   18.523   89.408   16.530  108.822   12.561  109.209   11.170 -0.3875122 16.80877 
1 1 1  -41    7   64 o  104.141   8.8463   84.940   12.168   68.813   17.761   99.204   16.704   92.954   14.100  115.328   10.688 -22.37475 17.69270 
1 1 1  -41    7   65 o   56.229   11.924   28.185   9.8166   26.802   14.649   29.312   13.225   54.488   17.497   57.969   16.205 -3.481758 23.84878 
1 1 1  -41    7   66 o   39.262   11.092   10.389   9.1051   5.6535   13.801   14.039   12.116   36.425   15.619   42.100   15.754 -5.674850 22.18464 
1 1 1  -41    7   67 f   79.830   10.370   52.015   10.920   62.137   16.546   44.206   14.535   87.681   13.926   71.979   15.368 15.70215 20.73923 
1 1 1  -41    7   68 o   89.597   12.904   63.817   15.668   0.0000   0.0000   63.817   15.668  ?   ?    89.597   12.904      ?      ? 
1 1 1  -41    7   69 o   55.087   16.990   28.304   13.947   0.0000   0.0000   28.304   13.947  ?   ?    55.087   16.990      ?      ? 
1 1 1  -41    7   70 o   40.047   16.126   12.345   13.442   0.0000   0.0000   12.345   13.442  ?   ?    40.047   16.126      ?      ? 
1 1 1  -41    7   71 o   45.570   16.961   19.344   14.006   0.0000   0.0000   19.344   14.006  ?   ?    45.570   16.961      ?      ? 
1 1 1  -41    7   72 o   76.052   15.857   52.416   15.813   0.0000   0.0000   52.416   15.813  ?   ?    76.052   15.857      ?      ? 
1 1 1  -41    8    2 o   79.403   9.6986   44.855   10.436   44.855   10.436   0.0000   0.0000   79.403   9.6986  ?   ?       ?      ? 
1 1 1  -41    8    3 o  122.610   7.4130  104.774   12.317  104.774   12.317   0.0000   0.0000  122.610   7.4130  ?   ?       ?      ? 
1 1 1  -41    8    4 o  137.263   7.2681  131.103   13.519  131.103   13.519   0.0000   0.0000  137.263   7.2681  ?   ?       ?      ? 
1 1 1  -41    8    5 o   62.182   6.2869   26.246   5.0313   30.433   8.8386   24.239   6.1196   65.412   9.9711   58.951   7.6603 6.460403 12.57387 
1 1 1  -41    8    6 f   83.843   5.4023   45.498   5.9063   63.796   10.162   36.165   7.2580   95.599   7.8445   72.087   7.4298 23.51167 10.80450 
1 1 1  -41    8    7 o  115.399   4.9677   94.506   7.4688   83.598   11.936  101.526   9.5750  109.377   8.0527  121.420   5.8192 -12.04271 9.935308 
1 1 1  -41    8    8 o   77.122   5.8476   41.627   5.8875   41.531   9.7004   41.684   7.4080   76.720   9.3304   77.524   7.0515 -0.8036880 11.69530 
1 1 1  -41    8    9 o  102.464   5.1490   72.583   7.0082   74.521   11.122   71.306   9.0256  103.359   7.9404  101.569   6.5574 1.790009 10.29805 
1 1 1  -41    8   10 o  151.249   5.4256  158.444   11.003  154.074   14.459  164.456   16.958  149.043   7.1589  153.456   8.1546 -4.413193 10.85118 
1 1 1  -41    8   11 o   87.710   5.6103   55.032   6.4465   46.698   10.003   60.953   8.4307   81.508   9.0562   93.912   6.6246 -12.40369 11.22056 
1 1 1  -41    8   12 o   76.284   6.5839   40.698   6.7466   33.833   9.1811   48.755   9.9472   69.184   9.7928   83.384   8.8031 -14.19946 13.16787 
1 1 1  -41    8   13 o   82.825   5.5765   46.816   5.8126   45.247   6.9754   50.381   10.514   80.992   6.3554   84.658   9.1651 -3.666428 11.15304 
1 1 1  -41    8   14 o   91.410   5.8815   61.805   6.4693   66.983   7.7767   50.171   11.657   98.692   5.8147   84.128   10.225 14.56431 11.76294 
1 1 1  -41    8   15 o   58.500   7.7103   23.793   6.1123   23.793   6.1123   0.0000   0.0000   58.500   7.7103  ?   ?       ?      ? 
1 1 1  -41    8   16 o   60.530   7.6230   25.454   6.2529   25.454   6.2529   0.0000   0.0000   60.530   7.6230  ?   ?       ?      ? 
1 1 1  -41    8   17 o  109.524   5.2786   83.403   7.2042   83.671   8.6521   82.798   13.009  110.327   5.7870  108.721   8.8298 1.606110 10.55719 
1 1 1  -41    8   18 o  107.641   5.4089   81.695   7.2096   83.612   8.6657   77.386   12.994  110.288   5.7982  104.995   9.1328 5.292397 10.81790 
1 1 1  -41    8   19 o  118.828   5.3080   98.282   7.8404   98.743   9.4022   97.230   14.205  119.857   5.7887  117.798   8.8988 2.058815 10.61595 
1 1 1  -41    8   20 o   94.420   5.9493   65.679   6.8790   71.625   8.3793   53.387   12.048  102.012   6.0614   86.829   10.239 15.18292 11.89854 
1 1 1  -41    8   21 o   92.870   5.9745   62.714   6.8522   67.055   8.3374   53.679   12.028   98.659   6.2361   87.082   10.193 11.57616 11.94898 
1 1 1  -41    8   22 o  113.236   5.3503   87.128   7.6512   83.923   9.2016   94.308   13.773  110.396   6.1507  116.076   8.7562 -5.679527 10.70055 
1 1 1  -41    8   23 o   95.255   5.7228   61.270   6.9545   57.685   8.4061   69.047   12.380   91.364   6.7895   99.146   9.2143 -7.782242 11.44557 
1 1 1  -41    8   24 o  108.462   5.6299   81.614   7.7063   81.115   9.3308   82.684   13.668  108.470   6.3478  108.452   9.2999 0.1796722E-01 11.25977 
1 1 1  -41    8   25 o   47.597   11.092   15.517   7.9011   21.792   13.914   12.531   9.5986   53.214   17.049   41.981   14.195 11.23380 22.18464 
1 1 1  -41    8   26 o   59.778   8.7033   27.122   6.8559   32.144   9.1656   20.745   10.330   67.404   10.035   52.153   14.223 15.25106 17.40664 
1 1 1  -41    8   27 o   96.687   6.2702   64.951   8.1304   61.631   10.649   69.592   12.589   93.930   8.3661   99.445   9.3418 -5.514618 12.54032 
1 1 1  -41    8   28 f   64.963   8.6703   32.741   7.2499   42.970   9.8267   20.523   10.740   78.149   9.2791   51.777   14.649 26.37185 17.34057 
1 1 1  -41    8   29 o   79.144   6.4190   42.313   6.5423   38.847   7.9551   49.556   11.500   74.686   7.8600   83.602   10.151 -8.915871 12.83794 
1 1 1  -41    8   30 o   95.587   6.3120   64.628   7.4795   65.386   8.9749   62.903   13.533   97.212   6.8128   93.963   10.628 3.249344 12.62401 
1 1 1  -41    8   31 o  135.891   6.1221  127.287   11.274  127.287   11.274   0.0000   0.0000  135.891   6.1221  ?   ?       ?      ? 
1 1 1  -41    8   32 o  105.734   5.8314   77.307   7.8167   75.754   9.4722   80.622   13.840  104.650   6.6793  106.819   9.5607 -2.169510 11.66276 
1 1 1  -41    8   33 o   70.428   8.0840   39.229   6.7614   45.458   8.3942   27.722   11.410   80.787   7.6675   60.070   14.234 20.71784 16.16796 
1 1 1  -41    8   34 o  112.838   5.9755   92.047   8.4280   97.381   10.315   81.334   14.619  118.711   6.4118  106.966   10.085 11.74492 11.95098 
1 1 1  -41    8   35 o   69.501   7.2758   33.206   6.5851   30.247   8.1101   38.931   11.281   65.483   9.1394   73.519   11.323 -8.035797 14.55153 
1 1 1  -41    8   36 o   58.940   8.5928   25.487   6.3944   24.145   7.9238   27.994   10.827   57.333   10.589   60.547   13.536 -3.214207 17.18557 
1 1 1  -41    8   37 o  147.372   5.5307  152.715   10.249  154.464   12.431  149.003   18.111  149.557   6.1335  145.187   9.2050 4.369980 11.06132 
1 1 1  -41    8   38 o  104.515   6.5345   82.338   8.3782   92.219   10.334   63.389   14.311  115.358   6.6108   93.673   11.274 21.68492 13.06909 
1 1 1  -41    8   39 o   77.696   6.8925   39.701   6.9196   32.702   8.3791   54.708   12.270   67.994   9.0939   87.398   10.360 -19.40408 13.78502 
1 1 1  -41    8   40 o   74.474   9.7963   41.811   9.4222   46.757   14.670   38.339   12.293   77.905   14.427   71.043   13.256 6.861664 19.59267 
1 1 1  -41    8   41 o   83.303   7.9993   50.317   8.1925   50.348   15.065   50.305   9.7622   82.128   13.536   84.477   8.5275 -2.349380 15.99853 
1 1 1  -41    8   42 o  125.678   5.2998  111.111   8.9644  101.399   13.046  119.799   12.339  120.166   8.0113  131.190   6.9406 -11.02420 10.59965 
1 1 1  -41    8   43 o  151.463   5.0989  159.508   10.428  167.175   15.546  153.237   14.061  154.629   7.4191  148.297   6.9967 6.332581 10.19789 
1 1 1  -41    8   44 o  137.899   6.1421  134.771   11.204  135.447   14.408  133.737   17.819  138.999   7.6493  136.799   9.6120 2.200317 12.28423 
1 1 1  -41    8   45 o  109.445   6.7801   87.129   9.7743   93.543   12.761   78.024   15.203  115.191   8.1749  103.699   10.819 11.49225 13.56020 
1 1 1  -41    8   46 o  126.004   7.9684  111.803   13.606  111.803   13.606   0.0000   0.0000  126.004   7.9684  ?   ?       ?      ? 
1 1 1  -41    8   47 o  107.309   6.9088   85.127   9.6454   94.596   12.542   71.417   15.090  115.843   7.9892   98.775   11.274 17.06886 13.81763 
1 1 1  -41    8   48 o   75.551   7.7775   41.067   7.8617   37.923   10.197   45.674   12.344   72.329   10.404   78.773   11.564 -6.444130 15.55506 
1 1 1  -41    8   49 o   46.865   9.8935   16.120   7.0352   9.4244   9.2812   25.164   10.786   37.416   13.830   56.315   14.151 -18.89982 19.78699 
1 1 1  -41    8   50 o   63.261   9.1873   32.028   7.6526   39.543   10.229   22.476   11.532   73.839   10.223   52.682   15.268 21.15726 18.37468 
1 1 1  -41    8   51 o  115.947   6.6305   98.569   10.136  108.847   13.410   84.870   15.481  124.060   7.9763  107.834   10.594 16.22638 13.26107 
1 1 1  -41    8   52 o   80.007   7.7746   46.935   8.3402   46.219   11.007   47.900   12.780   79.736   10.187   80.279   11.747 -0.5427628 15.54920 
1 1 1  -41    8   53 o  125.985   6.3428  113.023   10.648  109.785   13.785  117.814   16.768  124.340   8.1809  127.630   9.6951 -3.289536 12.68551 
1 1 1  -41    8   54 o  131.568   7.5249  126.422   13.270  131.149   20.439  122.977   17.448  133.001   11.340  130.136   9.8940 2.865646 15.04975 
1 1 1  -41    8   55 o   85.238   11.870   54.418   13.710   0.0000   0.0000   54.418   13.710  ?   ?    85.238   11.870      ?      ? 
1 1 1  -41    8   56 o   33.961   10.177   3.1503   7.9851   7.8064   12.716   0.1191   10.260   38.004   15.544   29.917   13.140 8.086210 20.35380 
1 1 1  -41    8   57 o   34.703   10.251   5.1140   7.9587   4.6080   12.473   5.4616   10.337   35.364   14.997   34.043   13.979 1.321072 20.50186 
1 1 1  -41    8   58 o   59.624   10.903   30.831   9.1795   21.345   14.128   37.760   12.076   50.150   17.219   69.098   13.380 -18.94846 21.80579 
1 1 1  -41    8   59 o   35.966   10.415   6.7662   8.1206   3.4372   12.819   8.9973   10.495   34.729   14.975   37.203   14.478 -2.473804 20.82934 
1 1 1  -41    8   60 o   43.935   16.509   15.047   13.332   15.047   13.332   0.0000   0.0000   43.935   16.509  ?   ?       ?      ? 
1 1 1  -41    8   61 o   47.427   16.526   18.971   13.037   18.971   13.037   0.0000   0.0000   47.427   16.526  ?   ?       ?      ? 
1 1 1  -41    8   62 o   46.933   11.764   18.443   9.3329   21.153   14.015   16.284   12.510   49.271   17.136   44.595   16.123 4.675800 23.52870 
1 1 1  -41    8   63 o   29.261   9.4958  -3.9702   8.5429  -3.5253   12.532  -4.3564   11.676   29.972   13.719   28.550   13.132 1.422461 18.99151 
1 1 1  -41    8   64 o   68.657   11.026   41.023   10.412   29.559   15.023   51.618   14.442   56.593   17.663   80.721   13.203 -24.12835 22.05260 
1 1 1  -41    8   65 o   67.255   11.453   40.613   10.525   30.818   15.236   49.552   14.555   57.364   17.769   77.147   14.454 -19.78276 22.90557 
1 1 1  -41    8   66 o   37.438   10.894   8.1003   9.1299   13.936   13.005   2.4302   12.820   41.690   16.146   33.186   14.628 8.504105 21.78745 
1 1 1  -41    8   67 o   45.098   11.447   16.275   9.8746   28.737   14.026   4.0278   13.904   55.367   17.033   34.829   15.297 20.53777 22.89343 
1 1 1  -41    8   68 f   38.094   15.835   9.8062   13.483   0.0000   0.0000   9.8062   13.483  ?   ?    38.094   15.835      ?      ? 
1 1 1  -41    8   69 o   54.175   17.478   28.856   14.604   0.0000   0.0000   28.856   14.604  ?   ?    54.175   17.478      ?      ? 
1 1 1  -41    8   70 o   49.073   17.701   24.263   15.066   0.0000   0.0000   24.263   15.066  ?   ?    49.073   17.701      ?      ? 
1 1 1  -41    8   71 f   75.023   16.232   52.470   16.023   0.0000   0.0000   52.470   16.023  ?   ?    75.023   16.232      ?      ? 
1 1 1  -41    8   72 o   31.129   14.216   0.2980   13.355   0.0000   0.0000   0.2980   13.355  ?   ?    31.129   14.216      ?      ? 
1 1 1  -41    9    1 f   28.483   12.876  -3.4750   10.617  -3.4750   10.617   0.0000   0.0000   28.483   12.876  ?   ?       ?      ? 
1 1 1  -41    9    2 o   85.864   12.274   54.484   14.282   54.484   14.282   0.0000   0.0000   85.864   12.274  ?   ?       ?      ? 
1 1 1  -41    9    3 o  135.140   10.525  131.859   19.276  131.859   19.276   0.0000   0.0000  135.140   10.525  ?   ?       ?      ? 
1 1 1  -41    9    4 o   73.918   14.253   42.355   13.760   42.355   13.760   0.0000   0.0000   73.918   14.253  ?   ?       ?      ? 
1 1 1  -41    9    5 o  126.055   10.626  114.638   18.151  114.638   18.151   0.0000   0.0000  126.055   10.626  ?   ?       ?      ? 
1 1 1  -41    9    6 o  119.396   10.989  103.180   17.780  103.180   17.780   0.0000   0.0000  119.396   10.989  ?   ?       ?      ? 
1 1 1  -41    9    7 o   69.577   15.047   37.976   13.775   37.976   13.775   0.0000   0.0000   69.577   15.047  ?   ?       ?      ? 
1 1 1  -41    9    8 o  150.659   10.636  163.354   21.714  163.354   21.714   0.0000   0.0000  150.659   10.636  ?   ?       ?      ? 
1 1 1  -41    9    9 o  194.295   10.393  270.768   27.364  270.768   27.364   0.0000   0.0000  194.295   10.393  ?   ?       ?      ? 
1 1 1  -41    9   10 o  133.628   6.1261  115.966   9.6603  146.963   20.090  106.644   11.018  143.221   10.351  124.036   6.5547 19.18412 12.25224 
1 1 1  -41    9   11 o  107.614   6.6677   80.343   8.3921   85.865   17.009   78.566   9.6483  108.802   11.536  106.427   6.6899 2.374725 13.33545 
1 1 1  -41    9   12 o  115.393   7.1477   89.497   10.814  119.294   18.351   73.645   13.385  129.014   10.496  101.771   9.7052 27.24255 14.29550 
1 1 1  -41    9   13 o  154.342   5.3952  169.850   10.848  181.533   13.888  151.562   17.376  162.007   6.3258  146.678   8.7417 15.32922 10.79039 
1 1 1  -41    9   14 o  160.892   5.2828  179.483   11.181  176.473   14.159  184.472   18.226  159.632   6.5451  162.152   8.2943 -2.520065 10.56567 
1 1 1  -41    9   15 o   91.088   5.8501   56.705   7.0545   51.692   8.9157   65.099   11.537   86.067   7.6442   96.109   8.8579 -10.04163 11.70024 
1 1 1  -41    9   16 o   94.476   6.1267   64.160   7.5240   68.550   9.6085   57.200   12.097   99.304   7.1401   89.648   9.9580 9.656769 12.25332 
1 1 1  -41    9   17 o   78.995   6.7539   43.257   7.2299   43.257   7.2299   0.0000   0.0000   78.995   6.7539  ?   ?       ?      ? 
1 1 1  -41    9   18 o   95.090   5.4376   59.248   6.5563   52.925   7.8176   74.238   12.037   87.426   6.5986  102.755   8.6446 -15.32961 10.87525 
1 1 1  -41    9   19 o  105.298   5.5738   79.038   7.2685   81.605   8.7636   73.379   13.011  108.782   5.9449  101.814   9.4301 6.967834 11.14755 
1 1 1  -41    9   20 o   85.896   5.8009   49.174   6.3372   44.839   7.5991   59.074   11.483   80.371   6.9772   91.420   9.2693 -11.04900 11.60173 
1 1 1  -41    9   21 o   84.962   6.2360   51.275   6.5981   52.042   7.9527   49.581   11.819   86.646   6.7730   83.278   10.473 3.368385 12.47205 
1 1 1  -41    9   22 o  109.009   5.5934   84.381   7.6170   86.718   9.2316   79.399   13.482  112.093   6.0774  105.926   9.3920 6.167503 11.18679 
1 1 1  -41    9   23 o   91.744   5.9216   56.681   6.8601   52.817   8.2005   65.690   12.521   87.237   6.9367   96.252   9.5992 -9.014473 11.84327 
1 1 1  -41    9   24 o   95.851   5.7225   60.166   6.9729   53.165   8.3251   76.620   12.763   87.495   7.0214  104.207   9.0382 -16.71169 11.44504 
1 1 1  -41    9   25 o  100.747   5.6323   67.573   7.1813   61.958   8.5785   80.723   13.129   94.553   6.6950  106.940   9.0592 -12.38703 11.26468 
1 1 1  -41    9   26 o   82.125   7.1135   47.443   7.8525   43.349   10.333   53.041   12.082   78.103   9.7624   86.147   10.349 -8.043877 14.22696 
1 1 1  -41    9   27 o  165.462   5.4434  196.904   11.092  206.190   13.378  176.477   19.842  172.999   5.7063  157.926   9.2716 15.07314 10.88688 
1 1 1  -41    9   28 o  161.999   5.2820  179.954   10.671  175.340   12.736  190.826   19.550  159.433   5.8948  164.566   8.7664 -5.132431 10.56400 
1 1 1  -41    9   29 o  110.991   5.7923   85.991   8.1394   85.239   9.8807   87.580   14.357  110.911   6.5740  111.071   9.5387 -0.1600952 11.58465 
1 1 1  -41    9   30 o  101.273   5.8936   70.797   7.6282   68.345   9.2861   75.884   13.377   99.186   6.9087  103.359   9.5503 -4.172859 11.78726 
1 1 1  -41    9   31 o  141.652   6.0969  138.665   11.703  138.665   11.703   0.0000   0.0000  141.652   6.0969  ?   ?       ?      ? 
1 1 1  -41    9   32 f  193.658   5.8993  258.908   15.482  258.908   15.482   0.0000   0.0000  193.658   5.8993  ?   ?       ?      ? 
1 1 1  -41    9   33 o  132.619   5.5299  121.518   9.2802  118.584   11.217  127.881   16.520  130.862   6.3255  134.375   9.0723 -3.513077 11.05971 
1 1 1  -41    9   34 o   79.449   6.9099   45.272   7.0752   45.851   8.8010   44.214   11.896   80.820   8.0358   78.077   11.243 2.743553 13.81987 
1 1 1  -41    9   35 o  118.902   5.8282  100.048   8.7749  101.195   10.713   97.708   15.298  120.756   6.5464  117.048   9.6444 3.707870 11.65633 
1 1 1  -41    9   36 o  121.617   5.6810  102.253   8.7862   99.141   10.655  108.866   15.533  119.487   6.5801  123.746   9.2626 -4.259308 11.36195 
1 1 1  -41    9   37 o   52.154   8.3704   23.730   6.5422   34.268   8.1516   4.6563   10.967   69.618   8.6406   34.690   14.339 34.92744 16.74078 
1 1 1  -41    9   38 o  138.446   5.6443  135.224   9.8709  136.100   12.008  133.399   17.335  140.077   6.3257  136.816   9.3498 3.260406 11.28866 
1 1 1  -41    9   39 o   56.115   8.7692   25.752   7.3230   40.660   9.8458   7.2952   10.955   75.386   9.6379   36.845   14.653 38.54048 17.53848 
1 1 1  -41    9   40 o   30.608   9.5102  -0.3847   7.3537   1.0828   12.113  -1.2413   9.2544   33.235   14.443   27.981   12.376 5.254271 19.02046 
1 1 1  -41    9   41 o   84.712   9.0586   54.506   9.8129   51.773   15.619   56.288   12.613   81.289   14.721   88.134   10.560 -6.845573 18.11725 
1 1 1  -41    9   42 o   67.392   8.5907   34.498   7.5348   37.054   10.029   31.184   11.417   71.565   10.341   63.219   13.721 8.346870 17.18142 
1 1 1  -41    9   43 o   83.449   7.6455   52.348   8.2995   60.030   10.955   41.997   12.716   91.860   8.8003   75.037   12.505 16.82313 15.29098 
1 1 1  -41    9   44 o   66.875   8.5077   33.024   7.5024   29.426   9.8531   37.987   11.573   62.143   12.136   71.608   11.927 -9.464771 17.01532 
1 1 1  -41    9   45 o  111.329   6.4700   87.402   9.6095   81.768   12.389   95.911   15.225  107.282   8.5216  115.377   9.7379 -8.094818 12.94002 
1 1 1  -41    9   46 o   86.582   9.4736   53.893   11.115   53.893   11.115   0.0000   0.0000   86.582   9.4736  ?   ?       ?      ? 
1 1 1  -41    9   47 o   56.386   12.633   24.664   9.4138   24.664   9.4138   0.0000   0.0000   56.386   12.633  ?   ?       ?      ? 
1 1 1  -41    9   48 o   53.189   9.9998   22.576   7.2481   22.419   9.3877   22.809   11.405   53.440   13.071   52.939   15.137 0.5008698 19.99963 
1 1 1  -41    9   49 o   86.497   9.6290   60.791   10.270   38.272   15.055   80.394   14.046   67.667   16.554  105.327   9.8407 -37.66032 19.25790 
1 1 1  -41    9   50 o   50.242   10.861   18.445   8.4311   31.961   13.460   9.7175   10.816   62.040   15.928   38.445   14.770 23.59486 21.72197 
1 1 1  -41    9   51 o   49.037   11.278   19.235   8.4945   23.323   13.290   16.410   11.045   52.664   16.640   45.410   15.228 7.253242 22.55560 
1 1 1  -41    9   52 o   78.145   9.9700   49.239   9.9903   41.683   15.417   54.709   13.117   70.483   16.443   85.806   11.280 -15.32337 19.93997 
1 1 1  -41    9   53 o   45.440   11.279   15.581   8.6079   22.050   13.390   11.025   11.238   51.121   16.753   39.759   15.107 11.36221 22.55806 
1 1 1  -41    9   54 o   52.072   11.185   23.100   8.7886   17.820   13.488   26.996   11.586   46.840   16.765   57.303   14.812 -10.46336 22.37060 
1 1 1  -41    9   55 o   45.501   15.276   16.770   11.116   0.0000   0.0000   16.770   11.116  ?   ?    45.501   15.276      ?      ? 
1 1 1  -41    9   56 o   34.657   10.269   4.3801   8.1096   9.1053   12.387   0.8352   10.729   38.514   15.491   30.799   13.484 7.715502 20.53728 
1 1 1  -41    9   57 o   34.487   10.286   4.8133   8.1746   5.0605   12.358   4.6210   10.900   35.310   14.948   33.664   14.133 1.646122 20.57192 
1 1 1  -41    9   58 o   45.134   10.742   13.207   8.8410   29.824   13.459   0.5955   11.725   58.658   16.330   31.610   13.959 27.04756 21.48331 
1 1 1  -41    9   59 o   54.002   11.125   25.125   9.2172   14.983   13.157   34.898   12.916   43.488   16.389   64.515   15.050 -21.02711 22.25044 
1 1 1  -41    9   60 f   51.569   16.897   23.622   13.622   23.622   13.622   0.0000   0.0000   51.569   16.897  ?   ?       ?      ? 
1 1 1  -41    9   61 o   51.918   17.178   24.372   14.067   24.372   14.067   0.0000   0.0000   51.918   17.178  ?   ?       ?      ? 
1 1 1  -41    9   62 o   74.237   11.036   47.014   10.697   50.703   16.116   44.109   14.302   76.413   16.073   72.062   15.128 4.351486 22.07219 
1 1 1  -41    9   63 o   59.387   11.644   32.427   10.071   23.556   14.616   40.446   13.897   50.357   17.501   68.417   15.364 -18.06029 23.28821 
1 1 1  -41    9   64 o   59.483   12.077   32.955   10.270   35.456   14.635   30.528   14.415   61.948   16.944   57.018   17.212 4.930687 24.15315 
1 1 1  -41    9   65 o   73.963   11.031   49.563   11.431   25.228   15.925   75.431   16.418   50.684   18.208   97.242   12.459 -46.55792 22.06290 
1 1 1  -41    9   66 o   90.678   10.682   71.087   12.210   44.336   16.693  101.874   17.907   67.576   17.932  113.780   11.614 -46.20407 21.36415 
1 1 1  -41    9   67 o   79.044   11.047   55.710   11.562   43.356   15.988   69.255   16.741   66.963   17.445   91.126   13.557 -24.16248 22.09308 
1 1 1  -41    9   68 o   48.495   17.492   23.744   14.713   0.0000   0.0000   23.744   14.713  ?   ?    48.495   17.492      ?      ? 
1 1 1  -41    9   69 o   38.312   16.112   11.364   14.206   0.0000   0.0000   11.364   14.206  ?   ?    38.312   16.112      ?      ? 
1 1 1  -41    9   70 o   40.413   16.513   14.904   14.333   0.0000   0.0000   14.904   14.333  ?   ?    40.413   16.513      ?      ? 
1 1 1  -41    9   71 o   71.519   17.143   51.502   16.399   0.0000   0.0000   51.502   16.399  ?   ?    71.519   17.143      ?      ? 
1 1 1  -41    9   72 o   60.844   17.476   39.639   15.170   0.0000   0.0000   39.639   15.170  ?   ?    60.844   17.476      ?      ? 
1 1 1  -41   10    1 o   91.939   8.2912   59.954   10.330   59.954   10.330   0.0000   0.0000   91.939   8.2912  ?   ?       ?      ? 
1 1 1  -41   10    2 o   82.534   8.8086   48.561   9.8520   48.561   9.8520   0.0000   0.0000   82.534   8.8086  ?   ?       ?      ? 
1 1 1  -41   10    3 f   71.919   9.6459   37.209   9.4009   37.209   9.4009   0.0000   0.0000   71.919   9.6459  ?   ?       ?      ? 
1 1 1  -41   10    4 o   91.144   8.5646   58.992   10.578   58.992   10.578   0.0000   0.0000   91.144   8.5646  ?   ?       ?      ? 
1 1 1  -41   10    5 o   75.460   9.7500   40.955   9.9703   40.955   9.9703   0.0000   0.0000   75.460   9.7500  ?   ?       ?      ? 
1 1 1  -41   10    6 o   79.520   9.3260   45.228   10.050   45.228   10.050   0.0000   0.0000   79.520   9.3260  ?   ?       ?      ? 
1 1 1  -41   10    7 o   89.203   8.8195   56.568   10.661   56.568   10.661   0.0000   0.0000   89.203   8.8195  ?   ?       ?      ? 
1 1 1  -41   10    8 f  115.252   8.0152   93.619   12.518   93.619   12.518   0.0000   0.0000  115.252   8.0152  ?   ?       ?      ? 
1 1 1  -41   10    9 o   84.476   9.2540   50.918   10.594   50.918   10.594   0.0000   0.0000   84.476   9.2540  ?   ?       ?      ? 
1 1 1  -41   10   10 o  128.443   7.6805  115.828   13.368  115.828   13.368   0.0000   0.0000  128.443   7.6805  ?   ?       ?      ? 
1 1 1  -41   10   11 o  188.480   7.2310  248.361   18.469  248.361   18.469   0.0000   0.0000  188.480   7.2310  ?   ?       ?      ? 
1 1 1  -41   10   12 o  163.837   7.3511  187.807   16.321  187.807   16.321   0.0000   0.0000  163.837   7.3511  ?   ?       ?      ? 
1 1 1  -41   10   13 o   92.061   8.7889   60.083   10.965   60.083   10.965   0.0000   0.0000   92.061   8.7889  ?   ?       ?      ? 
1 1 1  -41   10   14 o   30.815   13.514  -0.2896   10.817  -0.2896   10.817   0.0000   0.0000   30.815   13.514  ?   ?       ?      ? 
1 1 1  -41   10   15 o  130.713   7.6569  119.787   13.563  119.787   13.563   0.0000   0.0000  130.713   7.6569  ?   ?       ?      ? 
1 1 1  -41   10   16 o  143.548   4.9842  140.504   9.0122  135.215   10.814  152.527   16.305  139.931   5.7029  147.166   8.1759 -7.234833 9.968433 
1 1 1  -41   10   17 o   45.558   8.3928   15.313   5.0015   14.417   6.0968   17.158   8.7463   43.940   10.401   47.176   13.175 -3.236176 16.78559 
1 1 1  -41   10   18 o   88.702   6.5225   54.639   7.8402   54.639   7.8402   0.0000   0.0000   88.702   6.5225  ?   ?       ?      ? 
1 1 1  -41   10   19 o   94.073   6.3502   61.376   8.0953   61.376   8.0953   0.0000   0.0000   94.073   6.3502  ?   ?       ?      ? 
1 1 1  -41   10   20 o   96.361   6.0352   69.350   7.0783   75.731   8.6008   55.956   12.460  104.603   6.0676   88.119   10.434 16.48442 12.07037 
1 1 1  -41   10   21 o   98.923   5.7428   69.400   7.1316   70.388   8.6486   67.300   12.606  100.750   6.3345   97.095   9.5808 3.655075 11.48554 
1 1 1  -41   10   22 o   87.188   5.9387   51.460   6.6032   47.530   7.9560   60.162   11.837   82.543   7.1126   91.832   9.5122 -9.289490 11.87735 
1 1 1  -41   10   23 o   77.881   6.4314   41.454   6.4019   38.394   7.7357   48.107   11.405   73.997   7.7144   81.764   10.293 -7.766159 12.86286 
1 1 1  -41   10   24 o   45.070   8.6925   15.884   5.3814   17.350   6.6335   13.063   9.2039   48.262   10.446   41.878   13.897 6.384094 17.38508 
1 1 1  -41   10   25 o  142.144   5.3223  142.079   9.5099  143.181   11.522  139.722   16.845  143.895   5.9086  140.394   8.8542 3.500549 10.64467 
1 1 1  -41   10   26 o  127.601   5.9461  114.276   10.194  110.046   13.463  119.959   15.606  125.128   7.9398  130.074   8.8535 -4.946083 11.89224 
1 1 1  -41   10   27 o   62.096   8.7867   29.109   7.1221   26.123   9.6715   32.647   10.527   58.479   12.578   65.712   12.273 -7.233368 17.57345 
1 1 1  -41   10   28 o  105.076   5.9484   79.470   7.8433   82.298   9.5696   73.683   13.690  108.845   6.4878  101.307   9.9720 7.538231 11.89674 
1 1 1  -41   10   29 o  151.446   5.3839  158.408   10.339  154.016   12.512  167.867   18.362  149.051   6.1943  153.841   8.8076 -4.789398 10.76771 
1 1 1  -41   10   30 o  181.755   5.3289  226.292   12.167  217.776   14.571  245.908   22.115  177.306   6.0643  186.205   8.7644 -8.898956 10.65784 
1 1 1  -41   10   31 o  108.017   6.0207   83.147   8.2581   84.335   10.119   80.776   14.289  110.021   6.7871  106.014   9.9464 4.006615 12.04138 
1 1 1  -41   10   32 o   66.270   10.384   31.745   9.3255   31.745   9.3255   0.0000   0.0000   66.270   10.384  ?   ?       ?      ? 
1 1 1  -41   10   33 o  108.823   6.7819   88.533   9.5036  107.204   12.691   64.699   14.339  123.584   7.5781   94.063   11.249 29.52056 13.56373 
1 1 1  -41   10   34 o   71.055   7.7518   36.233   7.4054   31.705   9.7875   42.296   11.326   65.949   10.952   76.161   10.974 -10.21118 15.50354 
1 1 1  -41   10   35 o   87.332   7.3100   57.459   8.2298   67.745   10.873   43.658   12.593   97.911   8.1944   76.753   12.108 21.15795 14.62008 
1 1 1  -41   10   36 o   80.127   7.3231   46.712   7.8268   47.779   10.299   45.254   12.042   81.718   9.3004   78.537   11.314 3.181480 14.64622 
1 1 1  -41   10   37 o   81.237   7.3211   48.303   7.9073   50.750   10.427   44.990   12.130   84.274   9.1306   78.199   11.447 6.075294 14.64219 
1 1 1  -41   10   38 o   75.464   8.2810   44.024   7.8835   51.615   10.472   34.097   11.976   84.979   9.0939   65.949   13.842 19.03030 16.56196 
1 1 1  -41   10   39 o   79.620   7.5840   46.065   8.0717   45.005   10.545   47.566   12.544   78.963   9.8544   80.276   11.531 -1.313065 15.16804 
1 1 1  -41   10   40 o   79.941   7.4910   45.950   8.0438   41.777   10.555   51.730   12.422   75.845   10.270   84.037   10.908 -8.192116 14.98202 
1 1 1  -41   10   41 o   77.572   9.6804   44.732   9.7945   58.018   15.709   36.282   12.528   87.377   13.267   67.767   14.101 19.61050 19.36074 
1 1 1  -41   10   42 o   83.443   8.2322   54.539   8.4835   64.218   11.077   40.808   13.194   94.920   8.6116   71.966   14.033 22.95357 16.46442 
1 1 1  -41   10   43 o   61.596   9.3560   29.047   7.4445   26.277   9.5262   33.392   11.932   58.277   12.441   64.914   13.977 -6.636971 18.71195 
1 1 1  -41   10   44 o   85.841   9.0438   57.268   9.9782   46.824   14.694   66.204   13.593   76.577   14.694   95.106   10.547 -18.52925 18.08760 
1 1 1  -41   10   45 o   68.685   10.232   37.599   9.1735   39.483   13.832   36.120   12.257   69.819   15.062   67.551   13.854 2.267998 20.46474 
1 1 1  -41   10   46 o   42.048   15.687   12.906   11.996   12.906   11.996   0.0000   0.0000   42.048   15.687  ?   ?       ?      ? 
1 1 1  -41   10   47 o   43.083   16.013   13.874   12.475   13.874   12.475   0.0000   0.0000   43.083   16.013  ?   ?       ?      ? 
1 1 1  -41   10   48 o   25.393   8.4239  -7.8116   7.3049 -10.0360   11.125  -6.1258   9.6851   25.492   12.075   25.295   11.749 0.1964359 16.84787 
1 1 1  -41   10   49 o   36.810   10.573   7.4285   8.2219   6.4741   12.515   8.1534   10.906   36.756   15.265   36.865   14.633 -0.1094170 21.14549 
1 1 1  -41   10   50 o   37.058   10.232   7.6777   7.9949  -0.9683   12.174   14.234   10.601   31.408   14.025   42.709   14.901 -11.30092 20.46331 
1 1 1  -41   10   51 o   31.716   9.6844   1.4851   7.8120  -4.4637   12.060   5.7853   10.254   29.290   13.426   34.142   13.961 -4.852417 19.36889 
1 1 1  -41   10   52 o   44.478   10.784   13.564   8.3802   26.059   12.961   4.5880   10.985   55.164   16.244   33.791   14.188 21.37328 21.56738 
1 1 1  -41   10   53 o   55.093   11.350   26.243   9.0297   23.487   13.831   28.290   11.921   51.962   17.026   58.224   15.012 -6.261684 22.69902 
1 1 1  -41   10   54 o   59.043   11.227   30.777   9.4940   22.186   14.435   37.326   12.604   50.398   17.399   67.688   14.194 -17.28962 22.45404 
1 1 1  -41   10   55 o   76.571   14.002   47.457   13.994   0.0000   0.0000   47.457   13.994  ?   ?    76.571   14.002      ?      ? 
1 1 1  -41   10   56 o   84.055   10.068   58.202   10.902   48.033   16.135   66.745   14.789   74.567   16.412   93.544   11.666 -18.97734 20.13614 
1 1 1  -41   10   57 o   53.148   11.860   25.117   9.5076   26.597   14.287   23.941   12.737   54.162   17.268   52.135   16.263 2.027378 23.72077 
1 1 1  -41   10   58 o   40.487   10.983   12.293   8.6834   7.3347   12.883   16.420   11.755   36.762   15.396   44.212   15.669 -7.450588 21.96698 
1 1 1  -41   10   59 o   39.784   10.919   10.448   8.6897   18.955   13.110   3.7815   11.605   46.466   16.539   33.103   14.261 13.36303 21.83845 
1 1 1  -41   10   60 o   49.156   16.900   22.089   13.612   22.089   13.612   0.0000   0.0000   49.156   16.900  ?   ?       ?      ? 
1 1 1  -41   10   61 o   66.621   11.581   40.044   10.365   40.451   15.202   39.690   14.169   66.396   16.864   66.847   15.878 -0.4509277 23.16222 
1 1 1  -41   10   62 o   52.291   12.169   26.145   9.9916   25.587   14.549   26.642   13.745   51.530   17.476   53.052   16.940 -1.522629 24.33829 
1 1 1  -41   10   63 o   44.508   11.611   17.429   9.5403   10.953   13.271   24.356   13.724   38.629   15.849   50.388   16.974 -11.75959 23.22247 
1 1 1  -41   10   64 o   42.302   10.913   13.190   9.3256  -0.5065   13.022   27.610   13.362   31.013   14.114   53.592   16.647 -22.57899 21.82510 
1 1 1  -41   10   65 o   44.289   11.150   16.075   9.5023   3.1067   13.110   30.428   13.792   32.849   14.620   55.729   16.840 -22.88015 22.30055 
1 1 1  -41   10   66 o   58.618   12.266   34.698   10.432   33.177   14.535   36.314   14.981   57.277   17.282   59.959   17.409 -2.682892 24.53100 
1 1 1  -41   10   67 o   55.483   17.721   32.545   15.042   0.0000   0.0000   32.545   15.042  ?   ?    55.483   17.721      ?      ? 
1 1 1  -41   10   68 o   96.353   13.726   81.159   17.922   0.0000   0.0000   81.159   17.922  ?   ?    96.353   13.726      ?      ? 
1 1 1  -41   10   69 o   54.503   17.692   32.813   14.947   0.0000   0.0000   32.813   14.947  ?   ?    54.503   17.692      ?      ? 
1 1 1  -41   11    1 o  108.090   8.0003   82.972   11.719   82.972   11.719   0.0000   0.0000  108.090   8.0003  ?   ?       ?      ? 
1 1 1  -41   11    2 o  123.533   7.6725  107.921   12.844  107.921   12.844   0.0000   0.0000  123.533   7.6725  ?   ?       ?      ? 
1 1 1  -41   11    3 f   68.010   10.419   33.840   9.6022   33.840   9.6022   0.0000   0.0000   68.010   10.419  ?   ?       ?      ? 
1 1 1  -41   11    4 o   60.577   11.415   27.871   9.0264   27.871   9.0264   0.0000   0.0000   60.577   11.415  ?   ?       ?      ? 
1 1 1  -41   11    5 o   84.268   9.0184   50.930   10.299   50.930   10.299   0.0000   0.0000   84.268   9.0184  ?   ?       ?      ? 
1 1 1  -41   11    6 o   75.528   9.3723   41.070   9.5926   41.070   9.5926   0.0000   0.0000   75.528   9.3723  ?   ?       ?      ? 
1 1 1  -41   11    7 f  109.355   7.8607   84.563   11.649   84.563   11.649   0.0000   0.0000  109.355   7.8607  ?   ?       ?      ? 
1 1 1  -41   11    8 o   70.948   9.9005   36.446   9.5187   36.446   9.5187   0.0000   0.0000   70.948   9.9005  ?   ?       ?      ? 
1 1 1  -41   11    9 o  103.689   8.0640   76.136   11.331   76.136   11.331   0.0000   0.0000  103.689   8.0640  ?   ?       ?      ? 
1 1 1  -41   11   10 o   46.228   13.332   16.755   8.8119   16.755   8.8119   0.0000   0.0000   46.228   13.332  ?   ?       ?      ? 
1 1 1  -41   11   11 o  121.421   7.7907  104.044   12.819  104.044   12.819   0.0000   0.0000  121.421   7.7907  ?   ?       ?      ? 
1 1 1  -41   11   12 o  105.541   8.4058   79.101   12.022   79.101   12.022   0.0000   0.0000  105.541   8.4058  ?   ?       ?      ? 
1 1 1  -41   11   13 o   82.004   9.2674   48.211   10.298   48.211   10.298   0.0000   0.0000   82.004   9.2674  ?   ?       ?      ? 
1 1 1  -41   11   14 o  101.613   8.3738   73.262   11.531   73.262   11.531   0.0000   0.0000  101.613   8.3738  ?   ?       ?      ? 
1 1 1  -41   11   15 o  104.333   8.3966   77.241   11.872   77.241   11.872   0.0000   0.0000  104.333   8.3966  ?   ?       ?      ? 
1 1 1  -41   11   16 o   42.018   13.484   13.498   8.7008   13.498   8.7008   0.0000   0.0000   42.018   13.484  ?   ?       ?      ? 
1 1 1  -41   11   17 o   26.609   11.645  -0.3944   7.9946  -0.3944   7.9946   0.0000   0.0000   26.609   11.645  ?   ?       ?      ? 
1 1 1  -41   11   18 o   74.404   9.7284   39.869   9.8089   39.869   9.8089   0.0000   0.0000   74.404   9.7284  ?   ?       ?      ? 
1 1 1  -41   11   19 o   75.136   9.7502   40.665   9.9276   40.665   9.9276   0.0000   0.0000   75.136   9.7502  ?   ?       ?      ? 
1 1 1  -41   11   20 o   87.697   12.575   57.574   14.944   57.574   14.944   0.0000   0.0000   87.697   12.575  ?   ?       ?      ? 
1 1 1  -41   11   21 o   68.024   15.227   37.185   13.686   37.185   13.686   0.0000   0.0000   68.024   15.227  ?   ?       ?      ? 
1 1 1  -41   11   22 o   67.301   7.4600   32.272   6.4989   24.289   8.4717   43.687   10.131   56.650   11.430   77.953   9.5903 -21.30336 14.92008 
1 1 1  -41   11   23 o   62.281   7.9767   29.324   6.4413   31.639   8.5093   26.218   9.8573   66.388   9.4585   58.173   12.847 8.215134 15.95348 
1 1 1  -41   11   24 o   40.096   9.3122   11.783   5.7898   10.099   7.5485   14.190   9.0236   37.241   12.588   42.950   13.726 -5.708740 18.62432 
1 1 1  -41   11   25 o   28.388   8.3979   2.1822   5.4531   3.9018   7.2417  -0.0698   8.2873   29.472   11.848   27.304   11.905 2.167715 16.79586 
1 1 1  -41   11   26 o   99.006   6.2624   70.872   8.1770   74.995   10.638   64.918   12.783  103.224   7.6051   94.787   9.9516 8.436829 12.52490 
1 1 1  -41   11   27 o   76.782   9.6997   47.959   9.1777   37.118   15.110   54.296   11.553   66.823   16.726   86.742   9.8284 -19.91901 19.39950 
1 1 1  -41   11   28 o   74.017   7.6707   38.766   7.1811   25.701   9.2768   58.300   11.343   57.867   12.214   90.167   9.2835 -32.30053 15.34135 
1 1 1  -41   11   29 o  114.482   6.0535   92.592   9.2870   89.067   12.167   97.513   14.375  112.234   7.9995  116.730   9.0878 -4.495338 12.10701 
1 1 1  -41   11   30 o  111.044   6.1704   87.682   9.1734   86.461   12.050   89.365   14.147  110.540   8.0444  111.548   9.3585 -1.007996 12.34074 
1 1 1  -41   11   31 o   42.743   9.8397   14.012   6.5020   13.484   8.6737   14.689   9.8238   41.920   13.464   43.565   14.353 -1.644680 19.67934 
1 1 1  -41   11   32 o   81.686   9.4035   47.988   10.409   47.988   10.409   0.0000   0.0000   81.686   9.4035  ?   ?       ?      ? 
1 1 1  -41   11   33 o   73.733   9.7582   39.292   9.7503   39.292   9.7503   0.0000   0.0000   73.733   9.7582  ?   ?       ?      ? 
1 1 1  -41   11   34 o  104.798   6.3768   76.962   8.9388   68.259   11.561   89.900   14.096   97.775   8.7251  111.820   9.3021 -14.04479 12.75367 
1 1 1  -41   11   35 o   66.656   8.5803   33.542   7.3990   30.820   9.7115   37.309   11.423   63.671   11.686   69.642   12.567 -5.971344 17.16059 
1 1 1  -41   11   36 o   76.135   7.8757   41.368   7.7166   30.543   9.9377   57.809   12.246   63.139   12.054   89.130   10.139 -25.99008 15.75145 
1 1 1  -41   11   37 o   54.070   9.6721   22.729   7.0510   19.104   9.2319   27.803   10.923   49.067   13.473   59.072   13.881 -10.00445 19.34415 
1 1 1  -41   11   38 o   83.854   9.8160   59.602   10.015   29.944   14.747   84.984   13.643   59.091   17.306  108.617   9.2687 -49.52552 19.63202 
1 1 1  -41   11   39 o  116.231   7.5363   98.876   11.782  102.494   17.885   96.102   15.661  117.610   11.222  114.852   10.062 2.758842 15.07251 
1 1 1  -41   11   40 o  102.506   8.2000   80.391   10.999   65.321   16.621   92.131   14.671   92.246   13.296  112.765   9.6006 -20.51920 16.40001 
1 1 1  -41   11   41 o  145.650   9.4423  153.491   18.637   0.0000   0.0000  153.491   18.637  ?   ?   145.650   9.4423      ?      ? 
1 1 1  -41   11   42 o   54.304   10.785   23.262   8.5173   34.459   13.094   15.050   11.214   64.780   15.181   43.827   15.323 20.95321 21.57014 
1 1 1  -41   11   43 o   57.670   10.940   26.927   8.6941   33.960   13.507   21.951   11.360   63.822   15.720   51.518   15.218 12.30361 21.87980 
1 1 1  -41   11   44 o   93.964   8.2944   64.762   10.435   79.010   16.254   54.772   13.610  102.576   11.693   85.352   11.767 17.22345 16.58889 
1 1 1  -41   11   45 o   87.276   8.7785   58.139   10.238   56.919   15.660   59.051   13.530   85.595   13.501   88.957   11.224 -3.361908 17.55696 
1 1 1  -41   11   46 o   44.683   16.142   15.897   12.536   15.897   12.536   0.0000   0.0000   44.683   16.142  ?   ?       ?      ? 
1 1 1  -41   11   47 o   41.388   10.799   12.234   8.1326   17.887   12.093   7.5657   10.989   46.562   15.931   36.213   14.581 10.34819 21.59700 
1 1 1  -41   11   48 f   53.635   10.507   22.217   8.6730   38.952   13.258   9.6979   11.467   68.939   14.643   38.331   15.071 30.60765 21.01338 
1 1 1  -41   11   49 o   27.244   8.9017  -6.7635   7.5925   0.3418   11.957 -11.5633   9.8278   31.718   14.047   22.769   10.938 8.949518 17.80344 
1 1 1  -41   11   50 o   35.391   10.409   6.2059   8.2177   4.5543   12.746   7.3809   10.751   35.126   15.035   35.656   14.399 -0.5295753 20.81827 
1 1 1  -41   11   51 o   46.519   11.329   18.414   8.7930   14.598   13.504   21.223   11.585   43.184   16.524   49.853   15.504 -6.668564 22.65841 
1 1 1  -41   11   52 o   40.648   10.796   10.906   8.3752   20.242   12.780   3.8788   11.088   48.312   16.379   32.984   14.068 15.32858 21.59119 
1 1 1  -41   11   53 f   55.648   11.402   27.230   9.0616   27.861   13.583   26.723   12.164   55.787   16.679   55.509   15.550 0.2776985 22.80314 
1 1 1  -41   11   54 o   49.832   16.003   21.871   12.254   0.0000   0.0000   21.871   12.254  ?   ?    49.832   16.003      ?      ? 
1 1 1  -41   11   55 o   65.287   10.260   38.384   10.103   13.843   14.732   60.170   13.881   42.254   16.929   88.320   11.598 -46.06598 20.52081 
1 1 1  -41   11   56 o   54.770   11.734   27.417   9.4338   27.635   14.139   27.243   12.665   54.456   17.159   55.084   16.011 -0.6278343 23.46849 
1 1 1  -41   11   57 o   59.301   11.707   32.177   9.7241   33.102   14.649   31.448   13.002   59.392   17.206   59.210   15.878 0.1823730 23.41318 
1 1 1  -41   11   58 o   35.559   10.642   6.9286   8.8548   6.1359   12.910   7.6329   12.168   35.274   15.116   35.844   14.983 -0.5698853 21.28332 
1 1 1  -41   11   59 o   36.334   15.476   7.5605   13.385   7.5605   13.385   0.0000   0.0000   36.334   15.476  ?   ?       ?      ? 
1 1 1  -41   11   60 o   40.142   16.157   13.091   13.487   13.091   13.487   0.0000   0.0000   40.142   16.157  ?   ?       ?      ? 
1 1 1  -41   11   61 o   76.905   10.773   52.722   10.828   53.451   15.188   51.969   15.441   77.816   14.946   75.994   15.519 1.821770 21.54595 
1 1 1  -41   11   62 o   51.811   11.996   26.895   9.8694   22.284   14.073   31.357   13.845   47.218   17.096   56.404   16.833 -9.186340 23.99213 
1 1 1  -41   11   63 o   48.427   11.912   23.693   9.6383   20.729   13.560   26.720   13.702   45.583   16.739   51.270   16.954 -5.687588 23.82472 
1 1 1  -41   11   64 o   48.289   11.562   23.512   9.7798   13.056   14.163   33.041   13.520   38.974   16.217   57.603   16.485 -18.62909 23.12471 
1 1 1  -41   11   65 o   38.305   11.144   12.725   9.3762   15.773   13.305   9.7179   13.215   40.546   16.141   36.064   15.370 4.482033 22.28788 
1 1 1  -41   11   66 o   30.231   9.6408  -0.2747   8.7763   9.2691   12.402  -9.8484   12.421   35.119   14.926   25.344   12.206 9.774492 19.28167 
1 1 1  -41   12    1 o   59.014   15.775   29.515   12.858   29.515   12.858   0.0000   0.0000   59.014   15.775  ?   ?       ?      ? 
1 1 1  -41   12    2 o   32.659   13.740   3.9470   10.336   3.9470   10.336   0.0000   0.0000   32.659   13.740  ?   ?       ?      ? 
1 1 1  -41   12    3 o   35.784   14.540   6.9412   11.035   6.9412   11.035   0.0000   0.0000   35.784   14.540  ?   ?       ?      ? 
1 1 1  -41   12    4 o   32.674   13.869   3.4250   10.684   3.4250   10.684   0.0000   0.0000   32.674   13.869  ?   ?       ?      ? 
1 1 1  -41   12    5 o   40.599   15.329   11.872   11.524   11.872   11.524   0.0000   0.0000   40.599   15.329  ?   ?       ?      ? 
1 1 1  -41   12    6 o   53.215   15.770   23.754   12.184   23.754   12.184   0.0000   0.0000   53.215   15.770  ?   ?       ?      ? 
1 1 1  -41   12    7 o   58.958   15.270   28.805   12.297   28.805   12.297   0.0000   0.0000   58.958   15.270  ?   ?       ?      ? 
1 1 1  -41   12    8 o   38.485   15.005   9.6373   11.290   9.6373   11.290   0.0000   0.0000   38.485   15.005  ?   ?       ?      ? 
1 1 1  -41   12    9 o   52.776   15.547   23.157   11.871   23.157   11.871   0.0000   0.0000   52.776   15.547  ?   ?       ?      ? 
1 1 1  -41   12   10 o   90.706   12.133   62.034   14.914   62.034   14.914   0.0000   0.0000   90.706   12.133  ?   ?       ?      ? 
1 1 1  -41   12   11 o  100.794   11.694   76.007   15.973   76.007   15.973   0.0000   0.0000  100.794   11.694  ?   ?       ?      ? 
1 1 1  -41   12   12 o   54.637   15.952   24.979   12.547   24.979   12.547   0.0000   0.0000   54.637   15.952  ?   ?       ?      ? 
1 1 1  -41   12   13 o   43.594   15.622   14.635   11.716   14.635   11.716   0.0000   0.0000   43.594   15.622  ?   ?       ?      ? 
1 1 1  -41   12   14 o   39.907   15.262   10.912   11.516   10.912   11.516   0.0000   0.0000   39.907   15.262  ?   ?       ?      ? 
1 1 1  -41   12   15 o   88.739   12.300   59.395   14.792   59.395   14.792   0.0000   0.0000   88.739   12.300  ?   ?       ?      ? 
1 1 1  -41   12   16 o  108.275   11.453   87.205   16.805   87.205   16.805   0.0000   0.0000  108.275   11.453  ?   ?       ?      ? 
1 1 1  -41   12   17 o   47.308   15.856   18.115   11.977   18.115   11.977   0.0000   0.0000   47.308   15.856  ?   ?       ?      ? 
1 1 1  -41   12   18 o   53.801   15.848   24.068   12.336   24.068   12.336   0.0000   0.0000   53.801   15.848  ?   ?       ?      ? 
1 1 1  -41   12   19 o   65.930   15.050   35.368   13.150   35.368   13.150   0.0000   0.0000   65.930   15.050  ?   ?       ?      ? 
1 1 1  -41   12   20 o   23.523   11.293 -12.4319   10.433 -12.4319   10.433   0.0000   0.0000   23.523   11.293  ?   ?       ?      ? 
1 1 1  -41   12   21 f   72.517   15.804   43.254   15.092   43.254   15.092   0.0000   0.0000   72.517   15.804  ?   ?       ?      ? 
1 1 1  -41   12   22 o   30.201   13.648  -2.8208   11.914  -2.8208   11.914   0.0000   0.0000   30.201   13.648  ?   ?       ?      ? 
1 1 1  -41   12   23 f   45.049   16.522   15.657   13.204   15.657   13.204   0.0000   0.0000   45.049   16.522  ?   ?       ?      ? 
1 1 1  -41   12   24 o   44.143   16.391   14.726   13.066   14.726   13.066   0.0000   0.0000   44.143   16.391  ?   ?       ?      ? 
1 1 1  -41   12   25 o   94.843   13.365   69.068   17.177   69.068   17.177   0.0000   0.0000   94.843   13.365  ?   ?       ?      ? 
1 1 1  -41   12   26 o   95.337   13.024   69.400   16.826   69.400   16.826   0.0000   0.0000   95.337   13.024  ?   ?       ?      ? 
1 1 1  -41   12   27 o   47.494   16.726   18.263   13.374   18.263   13.374   0.0000   0.0000   47.494   16.726  ?   ?       ?      ? 
1 1 1  -41   12   29 o   61.569   9.7729   30.096   7.9283   32.190   11.802   28.374   10.703   63.375   14.106   59.763   13.530 3.612583 19.54573 
1 1 1  -41   12   30 o   98.125   7.4643   71.147   9.8423   66.798   14.559   74.808   13.357   94.759   11.338  101.492   9.7116 -6.733063 14.92855 
1 1 1  -41   12   31 o   89.129   7.9291   58.488   9.5259   64.218   14.411   54.041   12.695   92.798   11.459   85.460   10.962 7.337723 15.85824 
1 1 1  -41   12   32 o   54.433   15.601   24.692   12.101   24.692   12.101   0.0000   0.0000   54.433   15.601  ?   ?       ?      ? 
1 1 1  -41   12   33 o   42.319   15.350   13.593   11.353   13.593   11.353   0.0000   0.0000   42.319   15.350  ?   ?       ?      ? 
1 1 1  -41   12   34 o   36.815   10.145   8.0520   7.2577   11.871   11.223   5.3068   9.5153   40.525   15.163   33.105   13.482 7.419918 20.28981 
1 1 1  -41   12   35 o   36.914   9.7352   7.8167   7.3653  -2.7010   11.163   15.924   9.8012   29.205   13.203   44.623   14.310 -15.41768 19.47039 
1 1 1  -41   12   36 o   38.199   9.9830   7.5105   7.3241   18.817   11.453  -0.3121   9.5267   47.809   15.484   28.588   12.605 19.22084 19.96601 
1 1 1  -41   12   37 o   45.070   10.757   16.162   7.7425   18.444   11.786   14.429   10.269   47.321   15.727   42.819   14.681 4.502712 21.51459 
1 1 1  -41   12   38 o   46.954   11.012   17.763   8.1718   21.839   12.325   14.565   10.916   50.872   16.019   43.036   15.115 7.836353 22.02411 
1 1 1  -41   12   39 o   58.890   10.891   28.931   8.7411   30.315   13.211   27.854   11.658   59.728   16.000   58.053   14.780 1.675117 21.78188 
1 1 1  -41   12   40 f   43.605   14.918   15.218   10.603   0.0000   0.0000   15.218   10.603  ?   ?    43.605   14.918      ?      ? 
1 1 1  -41   12   41 o   67.082   13.841   36.262   12.164   0.0000   0.0000   36.262   12.164  ?   ?    67.082   13.841      ?      ? 
1 1 1  -41   12   42 o   64.915   10.474   34.786   8.9905   36.245   13.238   33.537   12.248   65.952   15.133   63.877   14.484 2.075142 20.94716 
1 1 1  -41   12   43 o   26.067   8.5731  -6.7669   7.4433 -11.5668   10.874  -2.5353   10.210   24.280   11.622   27.854   12.606 -3.573376 17.14614 
1 1 1  -41   12   44 o   63.368   10.934   34.416   9.3873   28.844   13.667   39.392   12.916   57.296   16.626   69.440   14.205 -12.14475 21.86761 
1 1 1  -41   12   45 o   44.637   11.404   16.279   8.9099   19.204   12.708   13.452   12.496   47.408   16.327   41.865   15.925 5.543087 22.80716 
1 1 1  -41   12   46 o   87.303   13.178   60.028   15.590   60.028   15.590   0.0000   0.0000   87.303   13.178  ?   ?       ?      ? 
1 1 1  -41   12   47 f   94.204   9.4481   71.736   11.316   53.738   16.179   88.973   15.833   79.666   15.544  108.742   10.745 -29.07583 18.89627 
1 1 1  -41   12   48 o   64.057   11.291   36.333   9.8699   30.415   14.540   41.391   13.441   57.695   17.258   70.419   14.565 -12.72446 22.58289 
1 1 1  -41   12   49 o   29.801   9.5131  -1.4356   8.1705  -3.9065   12.370   0.4767   10.882   29.383   13.516   30.219   13.391 -0.8356514 19.02620 
1 1 1  -41   12   50 o   37.396   10.544   8.9183   8.4516   1.7750   12.767   14.490   11.276   32.821   14.526   41.972   15.287 -9.150452 21.08762 
1 1 1  -41   12   51 f   68.874   11.137   41.838   10.186   37.768   14.796   45.504   14.044   64.413   16.782   73.336   14.644 -8.922554 22.27301 
1 1 1  -41   12   52 o   64.735   11.495   37.714   10.058   38.240   14.648   37.244   13.836   64.794   16.606   64.676   15.898 0.1180344 22.98974 
1 1 1  -41   12   53 o   48.449   11.437   21.136   9.4616   11.603   13.591   30.102   13.180   39.579   16.115   57.320   16.232 -17.74017 22.87316 
1 1 1  -41   12   54 o   56.335   16.680   29.842   13.635   0.0000   0.0000   29.842   13.635  ?   ?    56.335   16.680      ?      ? 
1 1 1  -41   12   55 o   25.033   8.4113  -9.7860   7.8979  -3.5991   11.003 -16.3617   11.343   27.445   12.669   22.620   11.068 4.825012 16.82269 
1 1 1  -41   12   56 o   32.344   10.032   3.1094   8.4794   6.4866   12.226  -0.0208   11.770   34.589   14.763   30.100   13.587 4.488932 20.06351 
1 1 1  -41   12   57 o   42.777   11.525   16.444   9.3713   21.206   13.600   12.139   12.932   46.669   16.820   38.885   15.761 7.784275 23.05070 
1 1 1  -41   12   58 o   31.260   9.7020  -0.8120   8.6369   11.673   12.223 -13.2624   12.206   38.066   15.360   24.454   11.856 13.61106 19.40390 
1 1 1  -41   12   59 o   59.092   17.106   35.172   14.484   35.172   14.484   0.0000   0.0000   59.092   17.106  ?   ?       ?      ? 
1 1 1  -41   12   60 o   40.571   11.085   13.961   9.2627   23.698   13.245   4.6414   12.959   48.118   16.663   33.024   14.624 15.09458 22.17024 
1 1 1  -41   12   61 o   34.523   10.500   6.4605   9.2096   14.196   13.102  -1.0941   12.948   39.324   15.891   29.723   13.728 9.601252 20.99962 
1 1 1  -41   12   62 o   41.217   11.341   16.308   9.3125   10.367   12.764   23.069   13.617   36.070   15.227   46.363   16.812 -10.29277 22.68253 
1 1 1  -41   13   36 f   21.545   7.3972 -13.0606   6.6588 -14.7058   10.457 -11.9386   8.6358   22.419   10.894   20.672   10.010 1.747904 14.79432 
1 1 1  -41   13   37 o   38.065   9.9837   9.0433   7.7825  -2.2757   11.703   18.016   10.420   29.715   13.468   46.415   14.741 -16.70048 19.96740 
1 1 1  -41   13   38 o   42.634   10.455   14.228   8.0995   4.6665   12.155   21.863   10.862   34.495   14.722   50.772   14.848 -16.27678 20.90909 
1 1 1  -41   13   39 o   46.417   11.134   18.407   8.3434   17.674   12.530   18.991   11.183   45.632   16.177   47.202   15.302 -1.570316 22.26703 
1 1 1  -41   13   40 o   41.896   14.998   14.205   10.796   0.0000   0.0000   14.205   10.796  ?   ?    41.896   14.998      ?      ? 
1 1 1  -41   13   41 o   39.596   10.562   10.591   7.9371   18.556   12.160   4.6784   10.477   46.350   15.971   32.842   13.826 13.50769 21.12378 
1 1 1  -41   13   42 o   45.534   11.028   17.333   8.1490   21.609   12.563   14.226   10.707   49.333   16.230   41.735   14.937 7.597866 22.05693 
1 1 1  -41   13   43 o   36.693   10.371   8.5621   7.8029   12.277   11.738   5.6208   10.445   39.953   15.377   33.432   13.920 6.520763 20.74181 
1 1 1  -41   13   44 o   34.995   10.264   6.3071   7.9696   10.441   12.119   3.1572   10.579   38.404   15.366   31.586   13.612 6.817665 20.52799 
1 1 1  -41   13   45 o   90.126   12.890   64.948   15.743   64.948   15.743   0.0000   0.0000   90.126   12.890  ?   ?       ?      ? 
1 1 1  -41   13   46 o   45.379   16.339   18.345   12.829   18.345   12.829   0.0000   0.0000   45.379   16.339  ?   ?       ?      ? 
1 1 1  -41   13   47 f   32.679   9.9998   3.6905   8.1638   5.9553   11.731   1.5635   11.368   34.330   14.550   31.028   13.721 3.301977 19.99962 
1 1 1  -41   13   48 o   36.420   10.370   8.2300   8.2038   14.712   11.603   1.7516   11.600   41.569   15.444   31.271   13.843 10.29873 20.73996 
1 1 1  -41   13   49 o   70.510   11.063   44.606   10.328   38.648   14.557   50.646   14.657   64.442   16.575   76.577   14.658 -12.13535 22.12659 
1 1 1  -41   13   50 o   72.168   10.595   47.407   10.440   26.908   14.780   67.823   14.750   51.955   17.614   92.381   11.782 -40.42596 21.19091 
1 1 1  -41   13   51 o   33.683   10.299   4.9137   8.6821   8.6985   12.535   1.4241   12.037   36.251   15.185   31.116   13.917 5.135323 20.59720 
1 1 1  -41   13   52 o   26.912   8.8924  -5.7321   8.1293  -0.8646   11.500 -10.5932   11.493   29.174   13.272   24.649   11.838 4.524677 17.78486 
1 1 1  -41   13   53 o   36.653   15.056   10.053   11.995   0.0000   0.0000   10.053   11.995  ?   ?    36.653   15.056      ?      ? 
1 1 1  -41   13   54 o   32.340   9.9559   2.7537   8.6100  -5.9065   12.197   11.356   12.156   27.160   12.797   37.519   15.255 -10.35938 19.91178 
1 1 1  -41   13   55 o   45.243   11.415   19.997   9.1333   13.714   12.798   26.518   13.038   39.285   15.765   51.201   16.514 -11.91563 22.83080 
1 1 1  -41   13   56 o   36.362   10.723   10.031   8.9141   14.179   12.601   5.8759   12.612   39.356   15.695   33.367   14.614 5.989159 21.44529 
1 1 1  -41   13   57 o   39.346   11.239   14.480   9.3076   16.600   13.047   12.283   13.282   41.017   16.092   37.675   15.693 3.342026 22.47703 
1 1 1  -41   13   58 o   21.103   10.452 -18.6219   11.186 -18.6219   11.186   0.0000   0.0000   21.103   10.452  ?   ?       ?      ? 
1 1 1  -41   14   43 o   24.980   11.858  -8.1434   10.844  -8.1434   10.844   0.0000   0.0000   24.980   11.858  ?   ?       ?      ? 
1 1 1  -41   14   44 o   37.898   15.498   10.878   12.637   10.878   12.637   0.0000   0.0000   37.898   15.498  ?   ?       ?      ? 
1 1 1  -41   14   45 o   30.587   13.775   0.7714   12.020   0.7714   12.020   0.0000   0.0000   30.587   13.775  ?   ?       ?      ? 
1 1 1  -41   14   46 o   33.307   10.011   4.7115   8.1564   12.136   11.931  -1.8024   11.175   38.380   15.283   28.233   12.935 10.14735 20.02203 
1 1 1  -41   14   47 o   26.088   8.6593  -6.0424   7.8473 -10.4226   11.176  -1.7823   11.021   24.191   11.633   27.985   12.830 -3.794298 17.31854 
1 1 1  -41   14   48 o   35.825   10.569   9.0889   8.5853   12.114   12.346   6.2567   11.947   38.087   15.413   33.563   14.464 4.523964 21.13752 
1 1 1  -41   14   49 o   42.106   10.993   16.097   8.7871   8.0801   12.304   24.441   12.554   34.846   14.840   49.365   16.223 -14.51827 21.98653 
1 1 1  -41   14   50 o   37.354   10.765   11.450   8.6650   15.408   12.525   7.8174   12.000   40.383   15.789   34.325   14.638 6.058556 21.52988 
1 1 1  -41   14   51 o   29.766   9.5275   0.8887   8.3181   4.3343   11.773  -2.5462   11.754   31.683   13.989   27.849   12.938 3.833632 19.05509 
1 1 1  -41   14   52 o   66.206   15.944   43.108   14.133   0.0000   0.0000   43.108   14.133  ?   ?    66.206   15.944      ?      ? 
1 1 1  -40    0    1 o   53.779   12.418   22.727   7.8761   0.0000   0.0000   22.727   7.8761   53.779   12.418   53.779   12.418 -0.000000 0.000000 
1 1 1  -40    0    2 o  360.027   7.6773  885.324   37.418   0.0000   0.0000  885.324   37.418  360.027   7.6773  360.027   7.6773 -0.000000 0.000000 
1 1 1  -40    0    3 o   75.036   9.0143   40.090   8.8159   0.0000   0.0000   40.090   8.8159   75.036   9.0143   75.036   9.0143 -0.000000 0.000000 
1 1 1  -40    0    4 o  104.138   7.4325   75.026   10.366   0.0000   0.0000   75.026   10.366  104.138   7.4325  104.138   7.4325 -0.000000 0.000000 
1 1 1  -40    0    5 o  197.048   6.6108  265.179   17.607   0.0000   0.0000  265.179   17.607  197.048   6.6108  197.048   6.6108 -0.000000 0.000000 
1 1 1  -40    0    6 o  230.579   6.7324  362.841   20.996   0.0000   0.0000  362.841   20.996  230.579   6.7324  230.579   6.7324 -0.000000 0.000000 
1 1 1  -40    0    7 f  202.986   6.6926  281.348   18.364   0.0000   0.0000  281.348   18.364  202.986   6.6926  202.986   6.6926 -0.000000 0.000000 
1 1 1  -40    0    8 o  134.890   7.1200  124.927   12.932   0.0000   0.0000  124.927   12.932  134.890   7.1200  134.890   7.1200 -0.000000 0.000000 
1 1 1  -40    0    9 o  141.037   10.016  138.096   18.921   0.0000   0.0000  138.096   18.921  141.037   10.016  141.037   10.016 -0.000000 0.000000 
1 1 1  -40    0   10 o  107.841   11.129   82.180   15.867   0.0000   0.0000   82.180   15.867  107.841   11.129  107.841   11.129 -0.000000 0.000000 
1 1 1  -40    0   11 o  103.050   11.580   75.495   15.646   0.0000   0.0000   75.495   15.646  103.050   11.580  103.050   11.580 -0.000000 0.000000 
1 1 1  -40    0   12 o  209.358   9.7277  301.504   27.463   0.0000   0.0000  301.504   27.463  209.358   9.7277  209.358   9.7277 -0.000000 0.000000 
1 1 1  -40    0   13 o   79.700   9.4576   45.158   9.8356   0.0000   0.0000   45.158   9.8356   79.700   9.4576   79.700   9.4576 -0.000000 0.000000 
1 1 1  -40    0   14 o  200.005   6.8048  273.125   18.395   0.0000   0.0000  273.125   18.395  200.005   6.8048  200.005   6.8048 -0.000000 0.000000 
1 1 1  -40    0   15 o  248.904   6.9403  422.582   23.368   0.0000   0.0000  422.582   23.368  248.904   6.9403  248.904   6.9403 -0.000000 0.000000 
1 1 1  -40    0   16 o  382.779   8.0898  999.949   41.921   0.0000   0.0000  999.949   41.921  382.779   8.0898  382.779   8.0898 -0.000000 0.000000 
1 1 1  -40    0   17 o  216.022   6.8990  318.501   20.149   0.0000   0.0000  318.501   20.149  216.022   6.8990  216.022   6.8990 -0.000000 0.000000 
1 1 1  -40    0   18 o  101.240   8.4299   71.308   11.381   0.0000   0.0000   71.308   11.381  101.240   8.4299  101.240   8.4299 -0.000000 0.000000 
1 1 1  -40    0   19 o  214.749   6.9860  314.819   20.281   0.0000   0.0000  314.819   20.281  214.749   6.9860  214.749   6.9860 -0.000000 0.000000 
1 1 1  -40    0   20 o  354.964   7.8602  859.677   37.767   0.0000   0.0000  859.677   37.767  354.964   7.8602  354.964   7.8602 -0.000000 0.000000 
1 1 1  -40    0   21 o  190.667   6.6804  250.039   17.148  249.318   23.734  250.827   24.804  190.438   9.2463  190.897   9.6445 -0.000000 0.000000 
1 1 1  -40    0   22 f   84.341   9.5171   51.583   9.7728   40.932   12.994   65.453   14.828   73.119   14.810   95.563   11.957 -0.000000 0.000000 
1 1 1  -40    0   23 o  219.621   6.7366  331.017   19.952  323.438   27.656  339.244   28.813  217.012   9.4447  222.229   9.6086 -0.000000 0.000000 
1 1 1  -40    0   24 o  410.070   8.3303  1156.44   46.204  1164.31   65.269  1148.53   65.415  411.500   11.726  408.639   11.835 -0.000000 0.000000 
1 1 1  -40    0   25 o  230.949   6.8480  364.065   21.263  324.568   28.900  410.678   31.397  217.250   9.8629  244.648   9.5027 -0.000000 0.000000 
1 1 1  -40    0   26 o  208.023   6.7397  297.090   18.896  285.225   26.192  309.969   27.288  203.669   9.5374  212.378   9.5252 -0.000000 0.000000 
1 1 1  -40    0   27 o   57.065   12.811   28.704   8.8287   32.298   12.157   24.693   12.843   62.947   16.494   51.182   19.606 -0.000000 0.000000 
1 1 1  -40    0   28 o  238.076   6.9551  389.299   22.347  378.405   31.271  400.669   31.946  234.644   9.8741  241.508   9.7978 -0.000000 0.000000 
1 1 1  -40    0   29 o  125.649   10.675  110.388   17.874   0.0000   0.0000  110.388   17.874  125.649   10.675  125.649   10.675 -0.000000 0.000000 
1 1 1  -40    0   30 f  122.314   10.879  104.866   17.705   0.0000   0.0000  104.866   17.705  122.314   10.879  122.314   10.879 -0.000000 0.000000 
1 1 1  -40    0   33 o  212.045   7.0141  309.608   20.047  320.870   28.540  298.639   28.166  215.916   9.7999  208.174   10.037 -0.000000 0.000000 
1 1 1  -40    0   34 o  260.677   7.1597  467.351   25.202  457.694   35.551  477.106   35.732  257.927   10.207  263.427   10.043 -0.000000 0.000000 
1 1 1  -40    0   35 o  211.601   7.0009  308.478   19.972  301.843   28.173  315.182   28.317  209.269   9.9862  213.933   9.8147 -0.000000 0.000000 
1 1 1  -40    0   36 o  107.610   8.3016   82.333   11.685   74.114   16.314   90.991   16.743  101.656   12.325  113.563   11.125 -0.000000 0.000000 
1 1 1  -40    0   37 o   60.791   18.742   31.983   13.508   31.983   13.508   0.0000   0.0000   60.791   18.742   60.791   18.742 -0.000000 0.000000 
1 1 1  -40    0   38 o  357.113   11.233  879.003   54.239  879.003   54.239   0.0000   0.0000  357.113   11.233  357.113   11.233 -0.000000 0.000000 
1 1 1  -40    0   39 o   64.414   12.924   34.881   9.7720   33.088   13.539   36.831   14.119   62.233   18.454   66.595   18.099 -0.000000 0.000000 
1 1 1  -40    0   40 o  130.548   7.6293  119.530   13.266  115.184   18.979  123.683   18.551  128.042   11.131  133.055   10.436 -0.000000 0.000000 
1 1 1  -40    0   41 o   59.981   13.620   32.006   9.8299   29.006   14.372   34.643   13.475   55.598   20.567   64.364   17.860 -0.000000 0.000000 
1 1 1  -40    0   42 o   95.553   9.0899   66.062   11.144   70.035   16.477   62.713   15.129   98.236   13.014   92.869   12.694 -0.000000 0.000000 
1 1 1  -40    0   43 o  109.871   8.3026   85.449   11.949   91.130   17.986   80.961   15.987  113.064   12.087  106.679   11.386 -0.000000 0.000000 
1 1 1  -40    0   44 o  280.469   7.3710  543.455   27.904  521.185   39.591  565.439   39.335  274.605   10.676  286.332   10.167 -0.000000 0.000000 
1 1 1  -40    0   45 o  207.165   7.0658  295.874   19.690  312.939   29.010  281.298   26.812  212.667   10.118  201.663   9.8650 -0.000000 0.000000 
1 1 1  -40    0   46 o   79.577   10.647   47.997   10.235   52.562   15.425   44.406   13.682   83.139   15.190   76.015   14.923 -0.000000 0.000000 
1 1 1  -40    0   47 o   84.040   10.574   53.561   10.832   52.893   16.077   54.116   14.660   82.866   16.048   85.214   13.774 -0.000000 0.000000 
1 1 1  -40    0   48 o  106.159   8.7787   81.483   12.091   77.866   17.803   84.579   16.473  103.423   13.308  108.894   11.453 -0.000000 0.000000 
1 1 1  -40    0   49 f   76.734   12.253   49.224   10.772   35.156   15.868   61.246   14.669   61.874   21.096   91.593   12.473 -0.000000 0.000000 
1 1 1  -40    0   50 o  106.312   11.548   80.920   16.139   0.0000   0.0000   80.920   16.139  106.312   11.548  106.312   11.548 -0.000000 0.000000 
1 1 1  -40    0   51 o   84.745   14.135   54.018   14.875   0.0000   0.0000   54.018   14.875   84.745   14.135   84.745   14.135 -0.000000 0.000000 
1 1 1  -40    0   52 o  201.236   7.1900  282.332   19.440  272.034   28.190  291.670   26.844  197.474   10.604  204.998   9.7128 -0.000000 0.000000 
1 1 1  -40    0   53 o  199.542   7.2502  278.438   19.395  263.865   28.309  291.329   26.626  194.248   10.831  204.835   9.6408 -0.000000 0.000000 
1 1 1  -40    0   54 o   84.088   10.856   51.837   10.715   73.305   17.288   38.445   13.654   99.759   13.482   68.418   17.019 -0.000000 0.000000 
1 1 1  -40    0   55 o  153.656   7.4279  166.314   15.201  162.145   22.616  169.750   20.529  151.523   11.153  155.790   9.8134 -0.000000 0.000000 
1 1 1  -40    0   56 o   73.481   12.409   45.263   10.520   39.040   16.137   49.862   13.873   65.874   20.606   81.088   13.834 -0.000000 0.000000 
1 1 1  -40    0   57 o  181.709   10.853  232.230   26.506  232.230   26.506   0.0000   0.0000  181.709   10.853  181.709   10.853 -0.000000 0.000000 
1 1 1  -40    0   58 o   91.881   9.6584   62.810   11.153   66.061   17.003   60.354   14.775   93.584   14.427   90.179   12.845 -0.000000 0.000000 
1 1 1  -40    0   59 o  201.740   7.1474  285.138   19.370  283.899   28.452  286.208   26.445  201.064   10.508  202.416   9.6915 -0.000000 0.000000 
1 1 1  -40    0   60 o  138.430   7.5619  136.798   13.881  128.135   20.440  144.214   18.910  133.801   11.466  143.059   9.8617 -0.000000 0.000000 
1 1 1  -40    0   61 o   73.324   12.424   46.376   10.466   36.500   15.986   53.785   13.846   62.066   21.181   84.582   12.991 -0.000000 0.000000 
1 1 1  -40    0   62 o   27.256   11.903   5.1414   8.5593   6.3689   13.107   4.2288   11.302   28.700   17.585   25.813   16.048 -0.000000 0.000000 
1 1 1  -40    0   63 o   43.509   14.143   20.756   9.2643   18.398   14.485   22.387   12.051   40.256   20.745   46.763   19.228 -0.000000 0.000000 
1 1 1  -40    0   64 f  109.739   8.6104   86.906   12.292   97.925   18.983   78.950   16.131  115.619   12.484  103.858   11.861 -0.000000 0.000000 
1 1 1  -40    0   65 o  107.789   8.7908   83.946   12.263   97.427   19.081   74.458   16.008  115.136   12.615  100.441   12.247 -0.000000 0.000000 
1 1 1  -40    0   66 o  147.157   10.125  153.803   19.972   0.0000   0.0000  153.803   19.972  147.157   10.125  147.157   10.125 -0.000000 0.000000 
1 1 1  -40    0   67 o  117.332   10.813   99.311   16.858   0.0000   0.0000   99.311   16.858  117.332   10.813  117.332   10.813 -0.000000 0.000000 
1 1 1  -40    0   68 f  125.310   10.642  112.893   17.771   0.0000   0.0000  112.893   17.771  125.310   10.642  125.310   10.642 -0.000000 0.000000 
1 1 1  -40    0   69 o   26.508   16.265   5.5072   11.249   0.0000   0.0000   5.5072   11.249   26.508   16.265   26.508   16.265 -0.000000 0.000000 
1 1 1  -40    0   70 o   49.926   18.870   24.858   11.966   0.0000   0.0000   24.858   11.966   49.926   18.870   49.926   18.870 -0.000000 0.000000 
1 1 1  -40    0   71 o   46.495   19.044   22.523   11.835   0.0000   0.0000   22.523   11.835   46.495   19.044   46.495   19.044 -0.000000 0.000000 
1 1 1  -40    1    1 o  247.243   6.7437  422.449   22.568  395.069   31.313  452.046   32.556  238.843   9.6745  255.642   9.3976 -16.79922 13.48737 
1 1 1  -40    1    2 o  119.054   6.9804   98.420   11.218  108.147   15.862   88.686   15.868  125.086   9.3577  113.022   10.360 12.06341 13.96082 
1 1 1  -40    1    3 o  199.117   5.6742  268.763   14.480  261.242   17.685  284.059   25.220  195.384   6.6792  202.850   9.1746 -7.466965 11.34837 
1 1 1  -40    1    4 o  229.498   5.7676  354.625   16.893  340.683   20.496  384.165   29.833  223.116   6.7789  235.880   9.3332 -12.76363 11.53523 
1 1 1  -40    1    5 o  259.376   6.0038  467.343   19.964  477.340   24.697  448.494   33.912  264.084   6.9012  254.668   9.8264 9.416382 12.00770 
1 1 1  -40    1    6 o  335.020   5.3216  769.488   24.159  760.079   34.131  778.937   34.200  332.947   7.5646  337.092   7.4869 -4.145660 10.64314 
1 1 1  -40    1    7 o  150.386   4.7943  154.368   9.7571  166.136   14.126  143.632   13.493  155.875   6.6876  144.897   6.8715 10.97768 9.588644 
1 1 1  -40    1    8 o  130.163   4.9859  115.939   8.7944  116.420   12.486  115.466   12.389  130.428   7.0645  129.898   7.0378 0.5306549 9.971861 
1 1 1  -40    1    9 o  213.163   4.7511  310.649   13.723  307.642   19.485  313.609   19.329  212.122   6.7786  214.203   6.6589 -2.081085 9.502125 
1 1 1  -40    1   10 o  188.666   4.7393  243.005   12.110  254.236   17.449  232.571   16.819  192.872   6.6760  184.459   6.7286 8.413437 9.478607 
1 1 1  -40    1   11 o  118.453   5.1880   95.935   8.3202  101.872   11.976   90.397   11.568  122.006   7.2435  114.899   7.4292 7.106705 10.37604 
1 1 1  -40    1   12 o  191.794   4.7959  251.338   12.463  257.513   17.784  245.379   17.470  194.113   6.7608  189.474   6.8040 4.639038 9.591793 
1 1 1  -40    1   13 o  430.411   6.0820  1272.32   35.470  1289.52   50.631  1255.75   49.706  433.251   8.6238  427.571   8.5786 5.680511 12.16398 
1 1 1  -40    1   14 o  141.378   5.0522  136.999   9.6496  124.943   13.664  148.995   13.630  135.099   7.4632  147.657   6.8116 -12.55745 10.10433 
1 1 1  -40    1   15 o  241.042   6.1149  403.658   18.807  413.303   23.168  385.025   32.203  245.889   6.9529  236.195   10.061 9.694382 12.22972 
1 1 1  -40    1   16 o  127.844   6.7781  117.104   10.825  125.728   13.289  100.098   18.662  135.574   7.2333  120.113   11.465 15.46119 13.55628 
1 1 1  -40    1   17 o  277.843   6.2767  524.513   22.150  513.513   26.858  547.902   39.164  273.998   7.2335  281.687   10.260 -7.688904 12.55331 
1 1 1  -40    1   18 o  225.883   4.9267  348.483   15.075  359.929   21.669  337.748   20.985  229.475   6.9683  222.292   6.9665 7.182785 9.853339 
1 1 1  -40    1   19 o  262.286   6.0978  476.323   20.674  486.093   25.798  458.791   34.560  266.622   7.1403  257.951   9.8868 8.671173 12.19562 
1 1 1  -40    1   20 o   70.018   8.3990   35.868   6.5713   37.057   7.5833   32.283   13.167   73.571   7.6062   66.466   14.977 7.105659 16.79793 
1 1 1  -40    1   21 o  259.092   5.6896  462.216   17.445  464.454   20.270  455.822   34.258  261.044   5.7300  257.140   9.8313 3.903931 11.37927 
1 1 1  -40    1   22 o  232.639   5.5273  364.425   15.189  357.979   17.533  383.813   30.408  229.195   5.6451  236.084   9.5046 -6.888733 11.05457 
1 1 1  -40    1   23 o  280.016   4.9721  535.953   18.865  545.277   26.866  526.883   26.497  282.423   7.0198  277.610   7.0434 4.812836 9.944167 
1 1 1  -40    1   24 o  143.547   4.8475  140.870   9.4241  146.331   13.324  135.402   13.332  146.357   6.7179  140.738   6.9902 5.619019 9.694977 
1 1 1  -40    1   25 o  238.100   5.9641  393.831   18.127  403.777   22.349  374.702   30.993  243.090   6.7843  233.111   9.8110 9.979340 11.92820 
1 1 1  -40    1   26 o  149.878   6.0316  153.278   11.619  151.197   14.281  157.353   19.983  148.691   7.0875  151.065   9.7614 -2.373734 12.06310 
1 1 1  -40    1   27 o  438.863   8.7582  1342.28   52.083  1324.56   73.232  1360.42   74.090  435.922   12.397  441.804   12.375 -5.882080 17.51633 
1 1 1  -40    1   28 o  198.823   4.8070  270.201   12.950  269.193   18.431  271.185   18.200  198.443   6.8539  199.204   6.7420 -0.7611084 9.614023 
1 1 1  -40    1   29 o  136.275   5.0454  127.033   9.3164  129.258   13.274  124.873   13.079  137.452   7.1262  135.097   7.1442 2.354782 10.09071 
1 1 1  -40    1   30 o  196.539   4.8492  263.936   12.910  274.581   18.513  253.860   18.012  200.404   6.8170  192.673   6.8984 7.730438 9.698453 
1 1 1  -40    1   31 o  224.858   4.8725  345.763   14.846  348.339   21.161  343.265   20.834  225.674   6.9195  224.042   6.8620 1.632294 9.745086 
1 1 1  -40    1   32 o  138.913   6.5045  138.921   11.333  115.743   19.232  151.249   14.026  129.141   10.990  148.685   6.9612 -19.54384 13.00899 
1 1 1  -40    1   33 o  155.431   6.1265  165.036   12.064  169.538   21.346  162.923   14.624  156.568   10.061  154.294   6.9942 2.273438 12.25298 
1 1 1  -40    1   34 f  354.041   6.8241  870.188   30.869  852.206   53.056  879.391   37.954  350.104   11.183  357.978   7.8238 -7.873535 13.64811 
1 1 1  -40    1   35 o  274.415   6.2994  521.854   22.032  509.831   38.041  527.923   27.026  271.223   10.350  277.606   7.1840 -6.383057 12.59884 
1 1 1  -40    1   36 o  247.251   10.048  423.358   33.667   0.0000   0.0000  423.358   33.667  ?   ?   247.251   10.048      ?      ? 
1 1 1  -40    1   37 f  194.683   6.9985  261.831   18.423  238.705   25.454  287.275   26.699  185.579   10.121  203.786   9.6680 -18.20699 13.99695 
1 1 1  -40    1   38 o  129.752   5.3165  115.552   9.3479  115.867   13.270  115.242   13.171  129.924   7.5368  129.580   7.5005 0.3432617 10.63302 
1 1 1  -40    1   39 f  273.026   5.1302  510.917   18.973  493.424   26.393  529.622   27.293  268.191   7.2621  277.861   7.2483 -9.669769 10.26043 
1 1 1  -40    1   40 o  132.084   6.5816  123.088   10.984  127.797   13.471  113.744   18.974  136.458   7.2849  127.711   10.964 8.747070 13.16312 
1 1 1  -40    1   41 o  151.011   5.0951  156.423   10.423  151.848   14.528  161.275   14.962  148.736   7.2080  153.285   7.2030 -4.548615 10.19017 
1 1 1  -40    1   42 o  119.646   5.4141   98.479   8.7768  100.481   12.409   96.475   12.416  120.882   7.5751  118.410   7.7374 2.472198 10.82821 
1 1 1  -40    1   43 o  238.156   5.0058  389.387   16.153  381.611   22.678  397.394   23.014  235.734   7.0991  240.578   7.0593 -4.843384 10.01154 
1 1 1  -40    1   44 o  205.271   4.9705  289.359   13.825  296.325   19.684  282.578   19.421  207.723   6.9927  202.819   7.0660 4.903900 9.941095 
1 1 1  -40    1   45 o  154.894   5.1119  165.127   10.722  159.254   15.258  170.856   15.069  152.116   7.4016  157.672   7.0527 -5.556244 10.22371 
1 1 1  -40    1   46 o  150.835   5.1578  156.503   10.538  159.948   15.171  153.291   14.649  152.421   7.3449  149.248   7.2432 3.173035 10.31558 
1 1 1  -40    1   47 f  253.181   5.0884  441.265   17.451  424.200   24.536  458.733   24.825  248.173   7.2956  258.190   7.0951 -10.01764 10.17674 
1 1 1  -40    1   48 o  170.325   6.1117  204.979   13.486  215.281   17.034  187.676   22.076  176.813   7.1093  163.836   9.9433 12.97704 12.22337 
1 1 1  -40    1   49 o  147.773   6.2274  153.418   11.940  157.791   15.013  145.891   19.697  151.247   7.3250  144.298   10.073 6.948364 12.45480 
1 1 1  -40    1   50 o  116.806   5.6651   94.369   8.9231  107.601   12.910   82.264   12.348  124.751   7.6364  108.860   8.3700 15.89131 11.33014 
1 1 1  -40    1   51 o  228.641   5.0822  360.761   15.743  366.454   22.567  355.365   21.973  230.372   7.2287  226.908   7.1458 3.463852 10.16448 
1 1 1  -40    1   52 o  172.371   6.2399  213.478   13.766  186.192   22.749  229.243   17.291  162.498   10.331  182.244   7.0016 -19.74580 12.47981 
1 1 1  -40    1   53 o  120.851   5.5938  101.436   9.1597  102.786   12.913  100.068   12.996  121.690   7.8302  120.011   7.9908 1.679108 11.18770 
1 1 1  -40    1   54 o  178.211   5.0345  219.710   12.140  204.157   17.012  235.848   17.329  171.684   7.3121  184.738   6.9222 -13.05324 10.06897 
1 1 1  -40    1   55 o  144.125   6.7417  144.028   12.046  152.084   22.245  140.685   14.329  145.854   11.254  142.397   7.4255 3.456757 13.48337 
1 1 1  -40    1   56 o  199.929   6.5280  287.386   16.193  265.116   28.806  297.675   19.580  192.536   11.040  207.322   6.9691 -14.78543 13.05601 
1 1 1  -40    1   57 o  206.491   5.0461  296.084   14.110  284.614   20.008  307.434   19.902  202.401   7.2946  210.582   6.9743 -8.181396 10.09213 
1 1 1  -40    1   58 o   99.544   7.9681   74.796   9.7182   80.944   11.842   62.116   17.007  107.540   8.1258   91.548   13.709 15.99287 15.93612 
1 1 1  -40    1   59 o  100.734   6.0372   71.365   8.2406   70.478   11.564   72.280   11.746  100.104   8.5248  101.365   8.5508 -1.260864 12.07432 
1 1 1  -40    1   60 o   69.236   7.2834   34.365   6.8293   32.875   9.6158   35.881   9.7009   67.651   10.489   70.820   10.108 -3.168427 14.56678 
1 1 1  -40    1   61 o  122.475   5.5395  105.195   9.1935  105.959   12.976  104.425   13.028  122.946   7.7882  122.004   7.8796 0.9413071 11.07903 
1 1 1  -40    1   62 o  151.271   5.1940  159.998   10.647  161.842   15.127  158.188   14.988  152.140   7.3370  150.402   7.3539 1.737869 10.38804 
1 1 1  -40    1   63 o  119.249   5.7051   99.996   9.2026  108.778   13.329   91.997   12.721  124.330   7.9113  114.169   8.2223 10.16115 11.41029 
1 1 1  -40    1   64 o  153.973   5.2332  166.350   10.912  160.975   15.517  171.608   15.348  151.396   7.5635  156.550   7.2347 -5.154785 10.46649 
1 1 1  -40    1   65 o   50.061   10.113   20.586   7.4807   25.227   9.6342   13.540   11.871   57.090   12.772   43.032   15.683 14.05849 20.22620 
1 1 1  -40    1   66 o   44.938   10.114   13.988   6.9950   8.3243   8.7998   23.710   11.529   35.797   13.420   54.079   15.135 -18.28238 20.22774 
1 1 1  -40    1   67 o   96.726   8.0013   69.112   10.488   69.336   14.871   68.890   14.794   96.874   11.328   96.579   11.303 0.2952957 16.00252 
1 1 1  -40    1   68 o   78.040   9.6667   47.510   9.7402   32.974   13.396   63.814   14.187   63.229   15.705   92.852   11.275 -29.62377 19.33345 
1 1 1  -40    1   69 o   54.796   11.060   24.746   8.7657   30.738   12.660   19.228   12.149   61.124   15.316   48.468   15.961 12.65530 22.12036 
1 1 1  -40    1   70 o   61.178   10.800   31.005   9.1703   21.984   12.829   40.431   13.114   51.181   16.367   71.174   14.095 -19.99335 21.59985 
1 1 1  -40    1   71 o  155.987   10.125  178.312   21.403   0.0000   0.0000  178.312   21.403  ?   ?   155.987   10.125      ?      ? 
1 1 1  -40    1   72 o  123.709   10.637  113.357   17.832   0.0000   0.0000  113.357   17.832  ?   ?   123.709   10.637      ?      ? 
1 1 1  -40    2    1 o  111.726   4.9602   85.430   7.5015   89.079   10.929   82.178   10.315  113.966   7.0765  109.485   6.9524 4.480179 9.920363 
1 1 1  -40    2    2 f  113.353   4.9792   87.971   7.6380   90.138   11.148   86.054   10.486  114.641   7.1761  112.064   6.9047 2.576828 9.958462 
1 1 1  -40    2    3 o  219.181   4.6614  328.473   13.836  336.847   20.011  320.802   19.152  221.834   6.6566  216.528   6.5271 5.305679 9.322730 
1 1 1  -40    2    4 o  159.859   4.6733  174.512   10.113  183.017   14.708  166.883   13.929  163.540   6.6364  156.177   6.5816 7.362137 9.346636 
1 1 1  -40    2    5 o  249.431   4.7992  425.788   16.214  427.318   23.305  424.352   22.573  249.829   6.8838  249.032   6.6889 0.7968750 9.598341 
1 1 1  -40    2    6 o  252.032   4.8220  434.278   16.459  446.701   23.796  422.884   22.789  255.464   6.8737  248.600   6.7646 6.864029 9.644045 
1 1 1  -40    2    7 o  136.376   4.8802  127.222   9.0141  129.128   13.000  125.457   12.510  137.343   6.9848  135.409   6.8175 1.933899 9.760395 
1 1 1  -40    2    8 o  293.658   5.0694  590.655   20.169  580.542   28.643  600.602   28.406  291.125   7.2603  296.191   7.0771 -5.066803 10.13889 
1 1 1  -40    2    9 o  160.180   5.8123  177.724   12.040  181.421   15.034  171.115   20.104  162.863   6.8120  157.497   9.4194 5.365112 11.62451 
1 1 1  -40    2   10 o  122.031   6.2892  104.490   9.9218  109.819   12.496   95.399   16.321  126.638   7.2817  117.424   10.256 9.214020 12.57845 
1 1 1  -40    2   11 o  155.128   5.8397  164.230   11.794  161.600   14.710  168.965   19.736  153.678   7.0635  156.579   9.3014 -2.901718 11.67942 
1 1 1  -40    2   12 o  109.651   5.4612   82.405   8.1121   82.787   11.637   82.044   11.314  109.883   7.8152  109.419   7.6302 0.4641647 10.92235 
1 1 1  -40    2   13 o  330.187   5.3431  746.918   23.904  732.903   33.803  760.938   33.809  327.055   7.6270  333.320   7.4849 -6.264984 10.68620 
1 1 1  -40    2   14 o  359.809   5.5489  887.536   27.053  886.896   38.549  888.157   37.974  359.648   7.9096  359.970   7.7846 -0.3221741 11.09785 
1 1 1  -40    2   15 o  131.607   5.1837  118.264   9.2333  124.859   13.466  112.412   12.685  135.056   7.3579  128.158   7.3038 6.898621 10.36740 
1 1 1  -40    2   16 f  282.715   5.0952  546.719   19.516  552.833   27.973  540.921   27.240  284.233   7.2624  281.197   7.1485 3.035950 10.19035 
1 1 1  -40    2   17 o  134.399   5.1981  123.502   9.4602  126.846   13.702  120.455   13.078  136.122   7.4279  132.677   7.2736 3.445251 10.39610 
1 1 1  -40    2   18 o  314.546   5.9752  678.978   22.271  678.631   25.863  679.972   43.807  315.399   6.0511  313.693   10.305 1.706024 11.95045 
1 1 1  -40    2   19 o  100.734   6.6341   69.805   8.4445   69.669   10.240   70.095   14.928  100.875   7.4912  100.593   10.951 0.2818680 13.26815 
1 1 1  -40    2   20 o  134.755   6.8061  124.101   12.429  124.101   12.429   0.0000   0.0000  134.755   6.8061  ?   ?       ?      ? 
1 1 1  -40    2   21 o  101.205   7.6718   70.160   10.522   70.160   10.522   0.0000   0.0000  101.205   7.6718  ?   ?       ?      ? 
1 1 1  -40    2   22 o  323.946   7.3844  724.361   32.389  696.235   44.708  755.429   46.988  317.368   10.395  330.524   10.491 -13.15579 14.76874 
1 1 1  -40    2   23 o  131.750   5.7939  117.461   9.2419  115.495   10.821  122.760   17.768  130.100   6.1376  133.400   9.8290 -3.299332 11.58789 
1 1 1  -40    2   24 o  286.448   5.9082  576.239   20.262  592.118   23.840  534.936   38.451  294.628   5.9711  278.267   10.197 16.36066 11.81636 
1 1 1  -40    2   25 o  149.629   4.8758  152.878   9.8770  162.605   14.222  143.815   13.728  154.238   6.8041  145.019   6.9854 9.219513 9.751544 
1 1 1  -40    2   26 o  371.501   5.5960  946.221   28.170  956.714   40.118  936.015   39.565  373.526   7.9257  369.477   7.9021 4.049774 11.19197 
1 1 1  -40    2   27 o  342.516   5.4003  803.765   25.064  789.768   35.249  818.079   35.645  339.488   7.6620  345.544   7.6122 -6.056396 10.80055 
1 1 1  -40    2   28 o  108.450   5.4949   80.973   8.0224   70.428   11.348   91.507   11.342  101.278   8.2687  115.621   7.2391 -14.34325 10.98981 
1 1 1  -40    2   29 o  159.791   4.8797  174.508   10.562  178.844   15.220  170.479   14.668  161.695   6.9459  157.888   6.8555 3.807480 9.759331 
1 1 1  -40    2   30 f  117.795   5.3899   94.755   8.5874  101.788   12.607   88.665   11.730  121.856   7.6344  113.734   7.6105 8.121964 10.77975 
1 1 1  -40    2   31 o  166.142   6.0269  189.623   12.748  190.320   22.219  189.281   15.564  165.952   9.8800  166.332   6.9052 -0.3792877 12.05386 
1 1 1  -40    2   32 o  318.137   6.5039  693.579   26.298  710.125   46.199  685.647   31.986  319.989   10.654  316.285   7.4628 3.703918 13.00779 
1 1 1  -40    2   33 o  147.757   5.0731  149.680   10.148  144.701   14.509  154.448   14.199  145.305   7.3682  150.208   6.9754 -4.902588 10.14628 
1 1 1  -40    2   34 o  266.909   6.2475  496.258   21.211  474.520   36.550  507.297   26.046  261.654   10.308  272.164   7.0621 -10.50955 12.49504 
1 1 1  -40    2   35 f  265.206   6.1882  480.599   20.830  496.151   36.765  473.247   25.280  267.585   10.139  262.826   7.0977 4.759399 12.37636 
1 1 1  -40    2   36 o  169.251   4.9356  196.229   11.315  196.245   16.238  196.214   15.776  169.231   7.0807  169.271   6.8777 -0.3999329E-01 9.871127 
1 1 1  -40    2   37 o  230.617   4.9168  364.346   15.365  367.613   21.900  361.180   21.562  231.626   6.9771  229.608   6.9296 2.018097 9.833646 
1 1 1  -40    2   38 f  116.034   5.4723   92.491   8.5938   86.303   12.022   98.957   12.289  112.028   7.9189  120.039   7.5549 -8.011314 10.94466 
1 1 1  -40    2   39 o  128.910   5.2547  114.154   9.1754  110.496   12.993  117.791   12.958  126.820   7.5606  131.001   7.2996 -4.180939 10.50933 
1 1 1  -40    2   40 o  126.590   5.3153  110.053   9.1149  112.703   13.106  107.571   12.685  128.056   7.5523  125.123   7.4813 2.932686 10.63051 
1 1 1  -40    2   41 o  117.892   6.7359   93.552   10.253   87.530   12.535  105.720   17.820  112.679   8.2093  123.105   10.682 -10.42580 13.47189 
1 1 1  -40    2   42 o  197.027   7.0791  270.075   18.898  269.709   26.498  270.455   26.960  196.933   9.9292  197.121   10.093 -0.1882172 14.15818 
1 1 1  -40    2   43 o  103.845   7.2940   74.434   9.8014   72.611   12.117   77.885   16.671  102.447   8.7279  105.244   11.689 -2.797279 14.58810 
1 1 1  -40    2   44 f  147.346   5.1268  148.946   10.215  163.481   14.820  135.793   14.098  154.224   7.0912  140.468   7.4062 13.75580 10.25360 
1 1 1  -40    2   45 o  104.748   5.8850   75.887   8.3496   73.111   11.788   78.681   11.828  102.790   8.4629  106.706   8.1798 -3.916107 11.76993 
1 1 1  -40    2   46 o  185.357   5.9927  238.633   14.399  240.395   17.973  235.476   24.058  186.915   7.0959  183.800   9.6592 3.115540 11.98543 
1 1 1  -40    2   47 o  150.379   6.0971  156.014   11.996  153.609   15.070  160.174   19.819  149.248   7.4513  151.510   9.6529 -2.261826 12.19427 
1 1 1  -40    2   48 o  119.526   5.5258   98.622   8.9412  101.871   13.009   95.713   12.310  121.360   7.9099  117.692   7.7183 3.667839 11.05159 
1 1 1  -40    2   49 o  120.026   5.6077  100.229   9.0621   88.145   12.898  112.010   12.735  112.674   8.4473  127.379   7.3776 -14.70525 11.21545 
1 1 1  -40    2   50 o  220.870   5.0183  336.553   15.019  336.157   21.395  336.937   21.087  220.711   7.1533  221.030   7.0402 -0.3189392 10.03661 
1 1 1  -40    2   51 o  209.499   5.0297  303.089   14.277  298.847   20.271  307.264   20.112  208.001   7.1915  210.997   7.0339 -2.996078 10.05946 
1 1 1  -40    2   52 o  244.157   5.0900  412.164   16.837  410.276   24.048  413.980   23.580  243.549   7.2865  244.766   7.1092 -1.216965 10.18002 
1 1 1  -40    2   53 o  223.725   7.0484  346.041   21.369   0.0000   0.0000  346.041   21.369  ?   ?   223.725   7.0484      ?      ? 
1 1 1  -40    2   54 o  142.338   6.9558  145.731   12.023  136.221   22.236  149.660   14.293  137.667   11.919  147.009   7.1743 -9.341949 13.91159 
1 1 1  -40    2   55 f  126.973   5.4013  111.927   9.2822  115.220   13.536  109.004   12.753  128.680   7.7624  125.265   7.5127 3.415413 10.80258 
1 1 1  -40    2   56 o   75.335   6.9844   40.071   7.1170   43.452   10.399   37.092   9.7610   78.341   9.7955   72.328   9.9587 6.012604 13.96881 
1 1 1  -40    2   57 o  162.401   5.1021  183.065   11.223  190.570   16.171  176.091   15.587  165.614   7.2053  159.187   7.2257 6.427002 10.20428 
1 1 1  -40    2   58 o  131.385   5.4123  120.272   9.6280  126.568   13.942  114.532   13.312  134.674   7.6392  128.096   7.6690 6.578079 10.82454 
1 1 1  -40    2   59 o  121.294   7.7170  106.499   11.276  107.168   13.281  104.772   21.339  123.700   7.9228  118.887   13.245 4.813431 15.43402 
1 1 1  -40    2   60 o   71.542   7.7562   37.903   7.1806   45.430   10.064   30.098   10.248   79.978   9.2859   63.106   12.426 16.87137 15.51233 
1 1 1  -40    2   61 o   83.844   6.6404   50.252   7.5104   45.612   10.722   54.722   10.523   79.795   9.9155   87.893   8.8353 -8.097565 13.28086 
1 1 1  -40    2   62 o  143.692   7.4855  144.643   14.576   0.0000   0.0000  144.643   14.576  ?   ?   143.692   7.4855      ?      ? 
1 1 1  -40    2   63 o  138.950   5.4070  135.358   10.170  143.882   14.734  127.599   14.057  143.154   7.5949  134.746   7.6981 8.407776 10.81402 
1 1 1  -40    2   64 o   72.905   8.9123   41.910   8.0894   47.009   10.298   33.695   13.072   81.012   9.3805   64.798   15.157 16.21378 17.82460 
1 1 1  -40    2   65 o   39.606   9.0897   10.892   6.7189   19.581   8.6105  -2.6359   10.744   50.203   12.659   29.008   13.048 21.19505 18.17949 
1 1 1  -40    2   66 o  105.211   7.1670   83.944   9.6250   96.375   12.428   65.311   15.215  116.795   7.8521   93.626   11.992 23.16936 14.33394 
1 1 1  -40    2   67 o   87.993   7.4481   54.257   8.6800   45.546   10.954   68.957   14.230   79.089   10.220   96.897   10.837 -17.80862 14.89619 
1 1 1  -40    2   68 o   57.136   10.972   26.959   8.7117   27.198   12.524   26.735   12.126   57.288   15.677   56.984   15.356 0.3047142 21.94479 
1 1 1  -40    2   69 o  174.080   7.0990  221.106   16.738  213.802   23.704  228.370   23.638  170.974   10.231  177.186   9.8444 -6.212784 14.19802 
1 1 1  -40    2   70 o  134.818   10.284  133.339   18.788   0.0000   0.0000  133.339   18.788  ?   ?   134.818   10.284      ?      ? 
1 1 1  -40    2   71 o   76.577   13.838   46.661   13.832   0.0000   0.0000   46.661   13.832  ?   ?    76.577   13.838      ?      ? 
1 1 1  -40    2   72 o   63.641   15.058   33.598   12.783   0.0000   0.0000   33.598   12.783  ?   ?    63.641   15.058      ?      ? 
1 1 1  -40    3    1 o   83.639   5.5759   48.783   6.2340   42.427   9.1759   54.231   8.4957   78.382   8.6387   88.896   7.0523 -10.51463 11.15181 
1 1 1  -40    3    2 o  255.182   4.7779  446.705   16.505  430.680   23.575  462.114   23.116  250.609   6.9417  259.756   6.5671 -9.147400 9.555846 
1 1 1  -40    3    3 o  215.876   4.6499  318.225   13.578  333.129   19.954  305.373   18.530  220.536   6.6767  211.217   6.4737 9.319244 9.299833 
1 1 1  -40    3    4 o  195.484   4.6468  262.018   12.289  249.500   17.589  273.954   17.177  190.845   6.8013  200.124   6.3337 -9.278656 9.293675 
1 1 1  -40    3    5 o  155.474   4.7128  164.959   9.9123  174.603   14.545  156.595   13.545  159.691   6.7213  151.258   6.6080 8.432816 9.425550 
1 1 1  -40    3    6 o  198.483   4.6688  269.829   12.540  264.005   18.099  275.207   17.392  196.361   6.8015  200.604   6.3977 -4.243240 9.337616 
1 1 1  -40    3    7 o  156.688   4.7457  168.055   10.060  167.403   14.632  168.640   13.854  156.353   6.9059  157.022   6.5110 -0.6683197 9.491332 
1 1 1  -40    3    8 o  212.706   4.7246  310.225   13.586  289.665   19.382  330.088   19.050  205.676   6.9539  219.736   6.3976 -14.05954 9.449106 
1 1 1  -40    3    9 o  160.189   4.7312  175.088   10.251  182.660   15.070  168.568   13.985  163.377   6.8068  157.000   6.5731 6.376358 9.462475 
1 1 1  -40    3   10 o  164.206   4.7732  184.779   10.595  179.062   15.386  189.936   14.612  161.722   7.0206  166.690   6.4687 -4.968140 9.546379 
1 1 1  -40    3   11 o   92.118   7.0156   58.594   8.0804   58.891   14.558   58.463   9.7141   91.926   11.686   92.309   7.7656 -0.3830414 14.03114 
1 1 1  -40    3   12 o  125.091   6.1994  106.944   9.7571  109.775   17.483  105.664   11.759  125.928   10.245  124.255   6.9833 1.673477 12.39877 
1 1 1  -40    3   13 o  190.355   5.7940  242.154   13.942  267.589   25.192  230.922   16.740  196.945   9.4390  183.765   6.7222 13.18013 11.58803 
1 1 1  -40    3   14 o  189.771   6.6777  247.930   17.145  256.524   25.116  240.431   23.462  192.783   9.6140  186.758   9.2703 6.024826 13.35546 
1 1 1  -40    3   15 o  200.141   6.7086  276.714   18.161  267.887   26.228  284.843   25.171  196.941   9.8275  203.341   9.1346 -6.400055 13.41719 
1 1 1  -40    3   16 o  206.383   5.8039  289.752   15.681  282.202   19.659  302.959   26.000  203.052   7.1445  209.714   9.1487 -6.661453 11.60786 
1 1 1  -40    3   17 o  127.752   6.6649  112.103   11.514  106.021   15.673  119.233   16.970  124.026   9.3253  131.479   9.5246 -7.452934 13.32971 
1 1 1  -40    3   18 o  314.810   6.3892  685.130   26.076  692.278   32.569  672.366   43.521  317.855   7.5613  311.766   10.301 6.089111 12.77836 
1 1 1  -40    3   19 o   56.111   8.9903   19.480   6.0903   15.266   7.0474   31.910   12.104   45.995   11.371   66.228   13.928 -20.23300 17.98063 
1 1 1  -40    3   20 o   80.277   6.7747   41.126   6.7047   36.970   7.8186   52.673   13.033   73.422   7.8581   87.132   11.038 -13.70924 13.54939 
1 1 1  -40    3   21 o   61.340   7.8815   18.870   6.1881   6.0795   7.1848   55.620   12.178   32.960   12.171   89.721   10.016 -56.76146 15.76291 
1 1 1  -40    3   22 f  313.045   5.9704  673.163   22.304  672.995   26.003  673.632   43.386  314.004   6.1110  312.085   10.259 1.919342 11.94090 
1 1 1  -40    3   23 o  134.865   5.9788  124.113   10.927  124.113   10.927   0.0000   0.0000  134.865   5.9788  ?   ?       ?      ? 
1 1 1  -40    3   24 o  211.298   5.6423  304.432   16.156  304.432   16.156   0.0000   0.0000  211.298   5.6423  ?   ?       ?      ? 
1 1 1  -40    3   25 o  201.719   5.5611  284.518   13.442  291.087   15.803  267.329   25.563  206.611   5.6441  196.827   9.5838 9.783752 11.12228 
1 1 1  -40    3   26 o  195.886   5.8437  264.821   14.889  268.148   18.682  259.028   24.651  197.967   6.9640  193.805   9.3862 4.162033 11.68747 
1 1 1  -40    3   27 o  196.712   9.4476  266.967   25.185  266.967   25.185   0.0000   0.0000  196.712   9.4476  ?   ?       ?      ? 
1 1 1  -40    3   28 o  136.904   5.9236  122.899   10.396  147.179   18.542  111.766   12.555  146.066   9.3676  127.742   7.2528 18.32373 11.84716 
1 1 1  -40    3   29 o   97.408   5.7375   65.237   7.5606   63.963   10.954   66.396   10.448   96.455   8.3804   98.361   7.8387 -1.906570 11.47502 
1 1 1  -40    3   30 o  171.714   4.8231  201.749   11.211  201.922   16.239  201.592   15.496  171.746   6.9773  171.683   6.6606 0.6262207E-01 9.646101 
1 1 1  -40    3   31 o  155.000   4.9159  164.411   10.316  166.045   14.944  162.924   14.258  155.705   7.0826  154.295   6.8191 1.409805 9.831782 
1 1 1  -40    3   32 o  220.815   4.8490  333.087   14.494  349.578   21.100  318.354   19.944  225.968   6.8907  215.662   6.8243 10.30644 9.698044 
1 1 1  -40    3   33 o  176.318   4.8501  212.262   11.572  226.389   16.881  199.736   15.895  181.840   6.8506  170.796   6.8676 11.04372 9.700180 
1 1 1  -40    3   34 o  200.450   4.8490  275.268   13.167  269.208   18.734  281.184   18.508  198.233   6.9739  202.668   6.7391 -4.434769 9.697970 
1 1 1  -40    3   35 o  171.695   4.9070  202.240   11.392  186.620   16.091  217.935   16.130  164.968   7.1979  178.423   6.6712 -13.45444 9.813965 
1 1 1  -40    3   36 o  206.895   6.0146  293.909   15.716  298.168   27.879  291.924   19.027  207.358   9.9215  206.433   6.8017 0.9250183 12.02916 
1 1 1  -40    3   37 o  229.404   6.0616  359.647   17.585  372.332   31.272  353.782   21.265  231.626   9.9630  227.183   6.9074 4.443024 12.12326 
1 1 1  -40    3   38 o  270.084   5.0606  500.780   18.514  486.858   26.269  514.523   26.098  266.293   7.2794  273.874   7.0320 -7.581329 10.12117 
1 1 1  -40    3   39 o   71.601   7.2033   36.046   6.9078   31.086   10.022   40.534   9.5342   66.685   11.091   76.517   9.1948 -9.831726 14.40658 
1 1 1  -40    3   40 o  180.117   4.9093  222.429   11.975  228.031   17.311  217.289   16.583  182.268   7.0087  177.965   6.8763 4.302094 9.818683 
1 1 1  -40    3   41 f  208.298   4.9169  297.860   13.876  298.365   19.830  297.375   19.425  208.445   7.0201  208.151   6.8864 0.2938232 9.833818 
1 1 1  -40    3   42 o  125.039   5.4283  107.383   9.1790  117.504   13.353   98.314   12.639  130.645   7.5422  119.434   7.8090 11.21107 10.85658 
1 1 1  -40    3   43 o  305.433   7.5621  642.647   31.300  642.647   31.300   0.0000   0.0000  305.433   7.5621  ?   ?       ?      ? 
1 1 1  -40    3   44 o  258.281   7.2748  459.222   25.462  459.222   25.462   0.0000   0.0000  258.281   7.2748  ?   ?       ?      ? 
1 1 1  -40    3   45 o  174.888   5.0235  210.504   11.897  210.751   17.153  210.276   16.515  174.936   7.2356  174.840   6.9705 0.9588623E-01 10.04702 
1 1 1  -40    3   46 o  150.143   5.2016  155.903   10.542  141.518   14.998  169.953   14.822  143.139   7.7317  157.146   6.9604 -14.00629 10.40321 
1 1 1  -40    3   47 o  152.242   5.2611  159.933   10.838  160.668   15.781  159.276   14.910  152.498   7.6363  151.985   7.2392 0.5137177 10.52227 
1 1 1  -40    3   48 o   61.533   11.016   27.547   9.8287   13.631   13.194   44.895   14.732   45.510   16.542   77.556   14.552 -32.04607 22.03182 
1 1 1  -40    3   49 o  112.285   7.4374   90.841   10.538   94.873   12.950   82.939   18.130  116.917   8.1738  107.653   12.428 9.263641 14.87484 
1 1 1  -40    3   50 o  127.934   5.4567  114.100   9.3966  102.009   13.533  125.356   13.058  121.150   8.2429  134.719   7.1524 -13.56862 10.91336 
1 1 1  -40    3   51 o   64.571   9.9455   27.643   7.8145   42.444   15.021   22.150   9.1502   74.651   15.361   54.490   12.637 20.16064 19.89094 
1 1 1  -40    3   52 o  116.657   7.1124   98.508   10.236   89.581   18.300  102.573   12.348  111.672   12.093  121.642   7.4910 -9.969933 14.22486 
1 1 1  -40    3   53 o   57.201   8.8606   24.364   6.6711   26.298   9.7663   22.672   9.1342   59.363   12.534   55.039   12.528 4.324249 17.72120 
1 1 1  -40    3   54 o   94.111   7.5808   63.416   8.9881   62.138   15.804   64.027   10.927   92.525   12.605   95.697   8.4262 -3.172363 15.16166 
1 1 1  -40    3   55 o   71.656   7.2589   36.393   7.0310   38.110   10.395   34.944   9.5459   73.136   10.488   70.177   10.038 2.958809 14.51775 
1 1 1  -40    3   56 o  116.973   5.5556   95.460   8.7994   96.777   12.734   94.258   12.173  117.688   7.9847  116.258   7.7267 1.429970 11.11113 
1 1 1  -40    3   57 o  115.446   5.5873   93.288   8.7261   91.216   12.625   95.183   12.075  114.096   8.1652  116.796   7.6291 -2.699150 11.17465 
1 1 1  -40    3   58 o  218.370   5.0370  331.987   14.897  327.446   21.333  336.309   20.812  216.799   7.2612  219.941   6.9828 -3.141357 10.07397 
1 1 1  -40    3   59 o   43.577   9.6744   14.314   6.3680   15.592   9.1825   13.130   8.8386   45.180   13.760   41.974   13.603 3.206478 19.34884 
1 1 1  -40    3   60 o   89.141   8.2283   56.321   9.2496   53.371   11.098   63.033   16.739   86.532   9.4641   91.749   13.463 -5.216965 16.45669 
1 1 1  -40    3   61 o   89.123   6.3505   56.408   7.6674   58.356   10.959   54.540   10.732   90.657   8.9203   87.588   9.0414 3.068977 12.70108 
1 1 1  -40    3   62 o  135.864   6.2631  130.582   11.167  128.718   14.110  133.706   18.270  135.352   7.6929  136.376   9.8857 -1.024353 12.52628 
1 1 1  -40    3   63 o   67.879   8.9248   34.388   7.7984   32.836   9.8529   36.989   12.759   67.118   10.833   68.639   14.186 -1.521423 17.84958 
1 1 1  -40    3   64 o   99.896   7.1442   74.030   9.2948   80.965   12.032   63.768   14.637  106.879   8.3075   92.912   11.625 13.96695 14.28834 
1 1 1  -40    3   65 o  132.419   6.3426  123.307   11.053  116.927   13.913  134.225   18.201  128.574   7.9852  136.264   9.8565 -7.690826 12.68523 
1 1 1  -40    3   66 o  127.094   6.5783  117.981   10.858  123.585   13.778  108.797   17.638  132.309   7.6845  121.879   10.679 10.43000 13.15661 
1 1 1  -40    3   67 o   36.756   9.8978   7.3628   6.8112   3.1876   8.6315   14.253   11.089   30.370   12.650   43.142   15.226 -12.77193 19.79557 
1 1 1  -40    3   68 o  191.618   9.8762  267.065   25.645   0.0000   0.0000  267.065   25.645  ?   ?   191.618   9.8762      ?      ? 
1 1 1  -40    3   69 o   71.508   14.189   40.908   13.264   0.0000   0.0000   40.908   13.264  ?   ?    71.508   14.189      ?      ? 
1 1 1  -40    3   70 o  128.354   10.452  121.377   18.181   0.0000   0.0000  121.377   18.181  ?   ?   128.354   10.452      ?      ? 
1 1 1  -40    3   71 o   25.759   12.029  -6.9434   10.372   0.0000   0.0000  -6.9434   10.372  ?   ?    25.759   12.029      ?      ? 
1 1 1  -40    3   72 o   84.420   12.512   54.793   14.314   0.0000   0.0000   54.793   14.314  ?   ?    84.420   12.512      ?      ? 
1 1 1  -40    3   73 o   82.382   12.626   52.569   14.095   0.0000   0.0000   52.569   14.095  ?   ?    82.382   12.626      ?      ? 
1 1 1  -40    4    1 o  234.321   4.6864  375.039   14.823  393.167   22.147  360.329   19.951  239.343   6.8283  229.300   6.4206 10.04301 9.372815 
1 1 1  -40    4    2 o  185.334   5.5253  237.431   13.430  240.098   17.040  233.057   21.821  187.105   6.7204  183.564   8.7723 3.540939 11.05066 
1 1 1  -40    4    3 o  243.663   5.8202  414.290   18.473  428.330   23.368  390.894   30.165  249.867   6.9014  237.459   9.3740 12.40733 11.64049 
1 1 1  -40    4    4 o  135.959   5.6524  124.962   10.121  117.910   12.728  137.085   16.689  131.055   7.1669  140.864   8.7426 -9.808548 11.30475 
1 1 1  -40    4    5 o  304.020   5.0848  634.937   20.928  617.500   29.989  651.491   29.220  299.843   7.3805  308.196   6.9963 -8.352997 10.16957 
1 1 1  -40    4    6 o  191.003   4.6247  249.794   11.935  249.694   17.563  249.881   16.268  190.890   6.7895  191.115   6.2813 -0.2256165 9.249450 
1 1 1  -40    4    7 o   99.724   5.2766   68.157   7.0824   69.393   10.695   67.191   9.4516  100.457   7.8566   98.992   7.0457 1.464691 10.55311 
1 1 1  -40    4    8 o  168.204   4.6960  193.028   10.663  201.113   15.908  186.431   14.370  171.336   6.8514  165.073   6.4239 6.263031 9.391927 
1 1 1  -40    4    9 o  115.716   5.1175   92.103   7.9833   88.809   11.781   94.899   10.856  113.717   7.6448  117.715   6.8054 -3.997963 10.23507 
1 1 1  -40    4   10 o   74.765   6.4534   39.419   6.3901   32.959   9.5563   44.644   8.5941   68.925   10.231   80.604   7.8680 -11.67818 12.90672 
1 1 1  -40    4   11 f  164.430   4.7872  186.063   10.609  169.600   15.321  201.232   14.706  157.298   7.1874  171.563   6.3254 -14.26480 9.574400 
1 1 1  -40    4   12 o  139.570   4.9795  134.060   9.3563  127.100   13.828  139.937   12.706  136.112   7.4969  143.029   6.5557 -6.916763 9.958977 
1 1 1  -40    4   13 o  103.448   7.3063   73.362   10.242   0.0000   0.0000   73.362   10.242  ?   ?   103.448   7.3063      ?      ? 
1 1 1  -40    4   14 o  187.452   4.8304  241.073   12.224  233.027   17.903  248.099   16.731  184.421   7.1636  190.483   6.4818 -6.061722 9.660804 
1 1 1  -40    4   15 o  213.486   5.3461  317.428   13.843  323.747   16.378  301.623   25.901  217.865   5.5475  209.107   9.1404 8.757858 10.69214 
1 1 1  -40    4   16 o  148.401   5.3288  151.814   9.5702  152.791   11.267  149.283   18.135  149.671   5.5549  147.131   9.0954 2.540283 10.65757 
1 1 1  -40    4   17 o  107.650   5.9582   81.794   7.6376   84.280   8.9679   75.231   14.573  111.108   5.9561  104.192   10.321 6.916489 11.91645 
1 1 1  -40    4   18 o  176.423   5.7167  211.717   13.279  205.188   16.776  222.671   21.730  173.080   7.1526  179.767   8.9199 -6.686249 11.43345 
1 1 1  -40    4   19 o  132.030   6.1820  120.965   10.838  125.157   14.138  114.993   16.877  135.057   7.7249  129.004   9.6538 6.052734 12.36408 
1 1 1  -40    4   20 o  262.448   5.8825  462.384   19.884  439.197   24.303  509.340   34.584  253.253   7.0815  271.643   9.3951 -18.38940 11.76497 
1 1 1  -40    4   21 o  133.066   5.8854  119.658   10.244  114.124   12.776  129.624   17.145  129.052   7.3054  137.080   9.2295 -8.028061 11.77087 
1 1 1  -40    4   22 o  199.217   9.1332  273.683   24.656   0.0000   0.0000  273.683   24.656  ?   ?   199.217   9.1332      ?      ? 
1 1 1  -40    4   23 o  104.858   6.1701   76.448   7.9751   77.539   9.5248   73.891   14.586  106.481   6.6009  103.236   10.426 3.244629 12.34025 
1 1 1  -40    4   24 o  152.893   5.4118  156.896   10.171  152.278   11.992  168.736   19.202  149.352   5.9252  156.435   9.0578 -7.083145 10.82366 
1 1 1  -40    4   25 o  219.220   5.4377  316.382   14.236  302.350   16.434  358.562   28.493  210.487   5.7615  227.954   9.2238 -17.46671 10.87541 
1 1 1  -40    4   26 o  193.048   5.7296  254.321   14.989  254.321   14.989   0.0000   0.0000  193.048   5.7296  ?   ?       ?      ? 
1 1 1  -40    4   27 o   96.487   6.4079   59.377   7.6262   53.308   8.8950   76.215   14.816   88.163   7.4452  104.810   10.431 -16.64703 12.81583 
1 1 1  -40    4   28 f  145.199   5.4782  144.337   9.8253  143.731   11.693  145.791   18.121  145.076   5.9479  145.323   9.2015 -0.2468414 10.95648 
1 1 1  -40    4   29 o  166.773   4.7765  190.313   10.786  192.326   15.604  188.471   14.926  167.588   6.8710  165.959   6.6370 1.629288 9.553038 
1 1 1  -40    4   30 o   71.524   6.7674   35.799   6.4772   30.602   9.3987   40.500   8.9388   66.382   10.448   76.666   8.6038 -10.28471 13.53476 
1 1 1  -40    4   31 o  138.387   4.9536  130.610   9.2607  145.886   13.589  117.362   12.654  145.936   6.8711  130.838   7.1372 15.09836 9.907159 
1 1 1  -40    4   32 f  182.225   4.7886  227.781   11.806  216.778   16.873  238.334   16.525  177.840   7.0015  186.610   6.5346 -8.770462 9.577150 
1 1 1  -40    4   33 o   99.340   5.6708   67.483   7.6052   72.717   11.377   63.254   10.226  102.773   8.1687   95.907   7.8680 6.865295 11.34164 
1 1 1  -40    4   34 o  205.440   4.8189  288.618   13.400  301.974   19.546  276.775   18.405  209.895   6.8718  200.985   6.7577 8.910477 9.637836 
1 1 1  -40    4   35 o  321.790   5.3345  711.764   23.256  693.365   32.897  730.146   32.882  317.572   7.6441  326.009   7.4429 -8.436584 10.66909 
1 1 1  -40    4   36 f  138.614   5.1359  132.040   9.6285  130.405   14.011  133.504   13.254  137.737   7.5065  139.491   7.0116 -1.753784 10.27181 
1 1 1  -40    4   37 o  263.669   5.0398  477.377   18.001  476.550   25.790  478.162   25.138  263.398   7.2254  263.940   7.0280 -0.5415039 10.07964 
1 1 1  -40    4   38 o  208.437   6.0405  297.904   15.847  306.395   28.378  294.056   19.103  209.844   9.9793  207.031   6.8090 2.813385 12.08097 
1 1 1  -40    4   39 o  253.305   6.0557  444.906   19.935  448.363   24.964  438.822   33.121  255.402   7.2128  251.208   9.7293 4.193787 12.11132 
1 1 1  -40    4   40 f  165.139   5.8434  182.642   12.613  168.027   15.624  209.992   21.373  156.264   7.3782  174.014   9.0634 -17.74973 11.68685 
1 1 1  -40    4   41 o  126.017   6.4070  112.821   10.543  122.074   13.593   98.851   16.702  133.116   7.5352  118.918   10.364 14.19871 12.81401 
1 1 1  -40    4   42 o  166.399   4.9487  189.732   11.139  202.436   16.353  178.737   15.214  171.564   7.0339  161.233   6.9631 10.33113 9.897473 
1 1 1  -40    4   43 o   55.691   8.9693   22.592   6.5969   26.100   9.9414   19.832   8.8181   59.554   12.706   51.828   12.663 7.726044 17.93866 
1 1 1  -40    4   44 o  206.823   6.1879  296.810   16.351  296.368   20.045  297.690   28.265  207.436   7.1308  206.210   10.115 1.225967 12.37573 
1 1 1  -40    4   45 o  207.900   6.2727  303.440   16.597  309.293   20.386  291.931   28.583  211.865   7.1004  203.935   10.343 7.930054 12.54544 
1 1 1  -40    4   46 o  148.840   5.1065  153.273   10.267  145.146   14.857  160.700   14.203  144.924   7.5652  152.757   6.8610 -7.832825 10.21307 
1 1 1  -40    4   47 o  210.466   4.9992  305.743   14.237  301.742   20.620  309.390   19.682  209.037   7.2790  211.895   6.8544 -2.858109 9.998332 
1 1 1  -40    4   48 o  162.927   6.4314  185.568   12.891  185.059   23.798  185.780   15.335  161.725   10.859  164.128   6.8948 -2.403214 12.86272 
1 1 1  -40    4   49 o  178.264   6.4920  228.315   14.192  207.541   25.664  237.467   17.034  170.973   11.077  185.555   6.7741 -14.58246 12.98393 
1 1 1  -40    4   50 o  148.780   5.1732  152.899   10.398  157.411   15.409  149.127   14.089  150.690   7.5458  146.870   7.0788 3.820007 10.34638 
1 1 1  -40    4   51 o  105.164   5.7136   76.544   8.1083   81.892   12.162   72.266   10.878  108.380   8.2811  101.948   7.8741 6.431381 11.42713 
1 1 1  -40    4   52 o  108.059   5.7603   80.469   8.3621   96.943   12.528   67.234   11.229  118.033   7.8327   98.086   8.4483 19.94659 11.52061 
1 1 1  -40    4   53 o   65.902   7.9861   31.338   6.9642   34.976   10.298   28.272   9.4537   69.980   10.859   61.824   11.713 8.155888 15.97215 
1 1 1  -40    4   54 o  238.512   7.3744  405.497   23.835  405.751   33.794  405.245   33.622  238.559   10.453  238.465   10.404 0.9382629E-01 14.74876 
1 1 1  -40    4   55 o   47.066   12.026   15.934   9.8162   16.414   13.148   15.330   14.754   47.236   16.588   46.896   17.417 0.3401947 24.05248 
1 1 1  -40    4   56 o  138.938   5.3704  134.877   10.095  131.419   14.576  138.064   13.995  137.089   7.8461  140.788   7.3352 -3.698532 10.74088 
1 1 1  -40    4   57 o   67.735   8.0483   34.373   7.0231   25.743   10.060   42.577   9.8089   58.013   13.106   77.457   9.3450 -19.44416 16.09653 
1 1 1  -40    4   58 o  128.484   5.3947  115.652   9.3810  111.940   13.456  119.162   13.085  126.351   7.8588  130.616   7.3927 -4.265427 10.78948 
1 1 1  -40    4   59 o   71.184   7.4504   36.576   6.9339   45.167   10.310   29.481   9.3694   79.541   9.5649   62.827   11.426 16.71355 14.90077 
1 1 1  -40    4   60 o   45.391   13.592   15.906   9.0152   15.906   9.0152   0.0000   0.0000   45.391   13.592  ?   ?       ?      ? 
1 1 1  -40    4   61 o  116.842   7.8625   96.100   12.449   96.100   12.449   0.0000   0.0000  116.842   7.8625  ?   ?       ?      ? 
1 1 1  -40    4   62 o  114.733   6.4255   91.452   9.7436   83.203   12.276  105.494   16.017  108.381   8.3587  121.085   9.7612 -12.70486 12.85106 
1 1 1  -40    4   63 o  100.885   6.8641   72.332   9.1811   68.688   11.711   78.142   14.789   98.166   8.8035  103.604   10.534 -5.438507 13.72818 
1 1 1  -40    4   64 o  111.430   6.7177   89.054   9.8862   87.921   12.629   90.848   15.887  111.245   8.3776  111.615   10.504 -0.3693008 13.43534 
1 1 1  -40    4   65 o  124.695   6.3948  109.657   10.518  103.763   13.284  119.562   17.221  120.953   8.1044  128.436   9.8942 -7.482147 12.78967 
1 1 1  -40    4   66 f  172.389   7.4126  219.557   17.114  192.108   24.884  244.196   23.576  160.873   11.415  183.904   9.4600 -23.03136 14.82512 
1 1 1  -40    4   67 o   44.389   11.473   13.974   8.9892   21.485   14.195   8.9446   11.615   50.596   17.261   38.182   15.118 12.41479 22.94575 
1 1 1  -40    4   68 o   73.795   10.751   45.152   10.479   36.151   15.655   52.459   14.105   64.517   17.474   83.074   12.529 -18.55707 21.50150 
1 1 1  -40    4   69 o   80.955   12.824   50.248   14.068   0.0000   0.0000   50.248   14.068  ?   ?    80.955   12.824      ?      ? 
1 1 1  -40    4   70 o   94.922   11.771   68.048   15.141   0.0000   0.0000   68.048   15.141  ?   ?    94.922   11.771      ?      ? 
1 1 1  -40    4   71 o  123.312   10.537  112.866   17.607   0.0000   0.0000  112.866   17.607  ?   ?   123.312   10.537      ?      ? 
1 1 1  -40    4   72 o   56.303   15.826   27.287   12.578   0.0000   0.0000   27.287   12.578  ?   ?    56.303   15.826      ?      ? 
1 1 1  -40    4   73 o   38.712   15.240   10.392   11.741   0.0000   0.0000   10.392   11.741  ?   ?    38.712   15.240      ?      ? 
1 1 1  -40    5    1 o  170.834   4.5252  199.815   10.399  203.492   15.745  196.971   13.850  172.106   6.7511  169.562   6.0276 2.544083 9.050355 
1 1 1  -40    5    2 o  110.336   4.9320   84.379   7.2411   79.638   11.177   87.809   9.5056  107.476   7.6744  113.195   6.1968 -5.718842 9.863918 
1 1 1  -40    5    3 o   83.490   5.5240   47.208   6.1563   52.956   9.7688   43.422   7.9289   87.550   8.2339   79.431   7.3662 8.118530 11.04794 
1 1 1  -40    5    4 o  244.320   4.7485  409.795   15.665  407.404   23.112  411.826   21.306  243.526   7.0036  245.114   6.4144 -1.588501 9.497053 
1 1 1  -40    5    5 o  163.123   4.6162  183.560   10.106  172.925   15.119  192.148   13.586  158.674   7.0314  167.573   5.9829 -8.899155 9.232334 
1 1 1  -40    5    6 o  139.835   4.7316  134.783   8.8674  129.017   13.411  139.263   11.820  137.026   7.2223  142.644   6.1148 -5.618179 9.463173 
1 1 1  -40    5    7 f   55.619   10.442   23.056   7.9429   21.782   12.393   23.943   10.348   54.250   15.858   56.989   13.590 -2.738544 20.88441 
1 1 1  -40    5    8 o  195.554   6.8134  262.889   17.918  285.112   27.446  246.382   23.655  202.510   10.001  188.598   9.2555 13.91238 13.62680 
1 1 1  -40    5    9 o   45.573   11.551   15.101   7.1432   0.0000   0.0000   15.101   7.1432  ?   ?    45.573   11.551      ?      ? 
1 1 1  -40    5   10 o  142.949   5.9899  135.239   10.384  153.992   20.289  128.583   12.088  148.870   10.057  137.028   6.5096 11.84276 11.97988 
1 1 1  -40    5   11 o  194.625   5.9413  263.332   14.172  255.908   26.203  266.401   16.848  191.936   10.074  197.315   6.3011 -5.378845 11.88265 
1 1 1  -40    5   12 o  178.763   6.0228  225.912   13.214  206.815   23.976  234.243   15.836  172.496   10.257  185.030   6.3159 -12.53349 12.04566 
1 1 1  -40    5   13 o  142.557   6.2080  141.787   10.807  136.675   20.055  143.879   12.828  140.142   10.560  144.973   6.5297 -4.830750 12.41600 
1 1 1  -40    5   14 o  137.087   5.6629  138.072   9.2179  149.864   10.990  110.089   16.929  148.189   5.4726  125.986   9.9158 22.20245 11.32579 
1 1 1  -40    5   15 o  175.186   5.1860  211.493   11.020  212.625   12.990  208.585   20.819  176.527   5.4300  173.844   8.8371 2.682297 10.37210 
1 1 1  -40    5   16 o  215.059   5.1675  309.966   13.447  301.287   15.698  333.885   26.062  210.115   5.5134  220.003   8.7416 -9.888336 10.33505 
1 1 1  -40    5   17 o  215.714   5.1946  312.781   13.580  304.986   15.879  334.003   26.200  211.396   5.5430  220.032   8.7869 -8.635483 10.38911 
1 1 1  -40    5   18 o  197.769   5.2320  269.455   12.578  270.804   14.844  266.020   23.686  199.212   5.4985  196.327   8.9030 2.885544 10.46408 
1 1 1  -40    5   19 o  269.622   5.5551  499.180   18.082  498.586   21.218  500.756   34.561  270.205   5.7946  269.039   9.4795 1.165710 11.11027 
1 1 1  -40    5   20 o  110.469   5.7199   83.829   7.7628   83.660   9.2100   84.241   14.425  110.631   6.1433  110.308   9.6503 0.3227997 11.43978 
1 1 1  -40    5   21 o  274.419   6.0289  514.442   21.627  502.229   27.077  535.964   35.945  270.532   7.3858  278.305   9.5310 -7.773407 12.05781 
1 1 1  -40    5   22 o  194.256   5.3185  258.866   12.562  258.604   14.806  259.540   23.737  194.644   5.6131  193.867   9.0353 0.7767029 10.63694 
1 1 1  -40    5   23 o  220.961   5.2922  324.606   14.145  312.382   16.474  358.894   27.590  213.905   5.6834  228.016   8.9291 -14.11174 10.58440 
1 1 1  -40    5   24 o  214.943   5.2858  308.906   13.783  299.045   16.101  335.939   26.659  209.286   5.6772  220.599   8.9179 -11.31224 10.57166 
1 1 1  -40    5   25 o  181.075   5.2654  222.320   11.698  218.618   13.815  231.698   21.989  178.934   5.6974  183.215   8.8564 -4.281311 10.53076 
1 1 1  -40    5   26 o  137.323   5.7980  138.324   9.6344  151.648   11.654  109.555   17.124  149.008   5.7714  125.638   10.058 23.37006 11.59595 
1 1 1  -40    5   27 o  149.545   5.6322  156.650   10.221  160.379   12.112  147.426   19.049  153.218   5.8333  145.871   9.6363 7.347092 11.26436 
1 1 1  -40    5   28 o  186.850   5.7454  238.475   14.548  238.475   14.548   0.0000   0.0000  186.850   5.7454  ?   ?       ?      ? 
1 1 1  -40    5   29 o  203.441   5.3034  272.159   13.075  258.150   15.202  311.968   25.627  194.388   5.7709  212.493   8.8995 -18.10538 10.60682 
1 1 1  -40    5   30 o  140.693   5.5656  137.462   9.6017  139.228   11.421  133.206   17.730  142.721   5.9054  138.665   9.4355 4.055923 11.13119 
1 1 1  -40    5   31 o   44.298   8.9489   14.244   5.6530   12.968   8.2683   15.365   7.7464   42.660   13.070   45.936   12.228 -3.276493 17.89790 
1 1 1  -40    5   32 o  208.457   4.7790  297.922   13.494  298.409   19.383  297.464   18.797  208.586   6.8572  208.328   6.6584 0.2586975 9.557955 
1 1 1  -40    5   33 o   68.668   6.9047   32.561   6.4054   35.509   9.5148   30.118   8.6623   71.483   9.8223   65.853   9.7068 5.630730 13.80938 
1 1 1  -40    5   34 o  150.163   4.9061  153.515   9.9421  172.535   14.827  137.977   13.401  158.555   6.9008  141.770   6.9754 16.78476 9.812107 
1 1 1  -40    5   35 o  174.240   5.6948  205.371   13.011  194.249   16.260  225.168   21.694  168.138   7.1362  180.341   8.8768 -12.20355 11.38964 
1 1 1  -40    5   36 o  265.161   6.0139  484.783   20.700  481.383   25.784  490.947   34.717  264.615   7.1905  265.706   9.6418 -1.091034 12.02779 
1 1 1  -40    5   37 o   85.649   7.2198   52.073   8.1379   55.541   10.565   47.013   12.761   89.559   8.7052   81.739   11.520 7.819443 14.43956 
1 1 1  -40    5   38 o  108.829   5.5045   81.903   8.0832   79.125   11.871   84.305   11.037  107.002   8.1870  110.657   7.3602 -3.654961 11.00909 
1 1 1  -40    5   39 o  176.195   6.1724  220.965   13.548  199.878   23.856  231.002   16.459  168.973   10.418  183.417   6.6220 -14.44400 12.34484 
1 1 1  -40    5   40 o   52.958   9.0246   20.892   6.3756   19.096   9.7087   22.254   8.4539   50.726   13.770   55.189   11.669 -4.462673 18.04918 
1 1 1  -40    5   41 o  152.850   5.1338  162.416   10.519  137.536   15.041  186.236   14.717  141.066   7.8681  164.633   6.5967 -23.56700 10.26753 
1 1 1  -40    5   42 o  167.835   5.0497  194.635   11.444  186.303   16.672  202.060   15.738  164.288   7.4886  171.381   6.7765 -7.092148 10.09950 
1 1 1  -40    5   43 o  218.814   4.9578  329.402   14.676  338.255   21.495  321.671   20.087  221.485   7.1617  216.143   6.8577 5.341888 9.915571 
1 1 1  -40    5   44 f  126.237   5.3241  109.605   9.0632  115.509   13.635  104.931   12.131  129.180   7.7889  123.293   7.2607 5.886421 10.64825 
1 1 1  -40    5   45 o  132.090   7.6727  122.900   13.692  128.851   20.336  117.966   18.518  134.863   11.127  129.318   10.567 5.544876 15.34541 
1 1 1  -40    5   46 o  166.965   7.3223  195.954   16.530  206.107   24.399  187.342   22.473  170.832   10.540  163.099   10.168 7.732544 14.64464 
1 1 1  -40    5   47 o  205.327   4.9509  291.545   13.735  286.002   20.098  296.403   18.814  203.327   7.2942  207.326   6.6964 -3.999634 9.901898 
1 1 1  -40    5   48 o  113.358   5.5419   88.028   8.4491   99.809   12.952   79.302   11.148  119.819   7.9770  106.897   7.6954 12.92225 11.08383 
1 1 1  -40    5   49 o  150.362   5.0940  157.190   10.325  148.893   15.136  164.413   14.122  146.439   7.6271  154.285   6.7544 -7.845413 10.18797 
1 1 1  -40    5   50 o  143.197   5.1883  142.791   10.017  135.301   14.670  149.333   13.711  139.467   7.7621  146.927   6.8863 -7.459763 10.37652 
1 1 1  -40    5   51 o  123.767   5.4231  106.165   9.0766  113.649   13.370   99.768   12.361  127.774   7.7218  119.760   7.6168 8.013916 10.84629 
1 1 1  -40    5   52 f  134.456   5.4083  127.213   9.7336  107.467   13.995  145.715   13.547  123.901   8.3351  145.011   6.8937 -21.11063 10.81656 
1 1 1  -40    5   53 o  213.226   5.0523  316.356   14.573  304.628   20.969  327.312   20.267  209.209   7.3965  217.244   6.8843 -8.034683 10.10453 
1 1 1  -40    5   54 o  249.639   5.1538  434.023   17.420  429.853   25.094  437.902   24.200  248.325   7.4571  250.953   7.1161 -2.628082 10.30764 
1 1 1  -40    5   55 o  105.577   7.5464   83.415   9.6908   71.734   17.367   88.697   11.678   98.502   13.011  112.653   7.6496 -14.15123 15.09281 
1 1 1  -40    5   56 o  103.994   7.5022   79.580   9.6311   73.237   17.198   82.478   11.625   99.539   12.750  108.449   7.9100 -8.909767 15.00438 
1 1 1  -40    5   57 o  172.406   6.0030  208.503   13.589  204.512   17.157  215.222   22.260  171.036   7.4023  173.777   9.4526 -2.740677 12.00608 
1 1 1  -40    5   58 o  122.305   6.5004  105.808   10.520  103.305   13.443  109.763   16.899  121.058   8.1945  123.552   10.093 -2.493919 13.00072 
1 1 1  -40    5   59 o   53.565   10.297   22.516   7.5725   21.287   9.8248   24.314   11.885   52.124   13.721   55.005   15.358 -2.880756 20.59441 
1 1 1  -40    5   60 o   78.995   14.367   48.799   14.813   48.799   14.813   0.0000   0.0000   78.995   14.367  ?   ?       ?      ? 
1 1 1  -40    5   61 o   61.349   15.821   30.744   13.238   30.744   13.238   0.0000   0.0000   61.349   15.821  ?   ?       ?      ? 
1 1 1  -40    5   62 o   98.600   7.4262   67.021   9.4896   58.582   11.567   84.396   16.597   90.273   9.4554  106.926   11.454 -16.65362 14.85239 
1 1 1  -40    5   63 o  125.625   6.5406  113.822   10.772  115.427   13.700  111.223   17.432  127.743   7.9141  123.507   10.416 4.236740 13.08121 
1 1 1  -40    5   64 o  115.193   8.0794   98.213   12.484   99.561   19.058   97.200   16.523  115.179   12.210  115.206   10.584 -0.2622223E-01 16.15873 
1 1 1  -40    5   65 o   99.282   8.5894   74.477   11.400   71.078   17.281   77.096   15.169   96.348   13.236  102.216   10.951 -5.868126 17.17883 
1 1 1  -40    5   66 o   40.149   10.906   10.882   8.5947   5.0352   13.471   14.895   11.161   36.611   15.558   43.687   15.287 -7.076054 21.81166 
1 1 1  -40    5   67 o  116.446   8.1880  101.851   12.785   98.833   19.283  104.220   17.080  114.004   12.482  118.889   10.601 -4.884521 16.37600 
1 1 1  -40    5   68 o   51.533   11.784   21.845   9.3249   28.315   14.604   17.391   12.117   56.882   17.359   46.183   15.941 10.69896 23.56795 
1 1 1  -40    5   69 o   71.434   13.792   40.871   12.867   0.0000   0.0000   40.871   12.867  ?   ?    71.434   13.792      ?      ? 
1 1 1  -40    5   70 o   47.850   15.811   19.278   11.918   0.0000   0.0000   19.278   11.918  ?   ?    47.850   15.811      ?      ? 
1 1 1  -40    5   71 o   88.139   12.171   59.712   14.537   0.0000   0.0000   59.712   14.537  ?   ?    88.139   12.171      ?      ? 
1 1 1  -40    5   72 o   40.198   15.470   12.045   11.880   0.0000   0.0000   12.045   11.880  ?   ?    40.198   15.470      ?      ? 
1 1 1  -40    5   73 o   40.983   15.682   13.051   12.163   0.0000   0.0000   13.051   12.163  ?   ?    40.983   15.682      ?      ? 
1 1 1  -40    6    1 o   59.798   6.3969   24.407   4.9504   26.600   8.4954   23.279   6.0916   61.574   10.181   58.023   7.7473 3.551098 12.79379 
1 1 1  -40    6    2 o  102.161   4.9807   74.153   6.6288   61.856   10.385   82.609   8.6113   94.517   8.1079  109.806   5.7871 -15.28947 9.961366 
1 1 1  -40    6    3 o   95.676   5.1046   64.202   6.4253   57.744   10.086   68.612   8.3356   91.336   8.1490  100.016   6.1501 -8.680771 10.20930 
1 1 1  -40    6    4 o   97.875   5.9962   65.859   7.9210   59.881   10.657   73.238   11.840   92.958   8.4600  102.793   8.4997 -9.835350 11.99234 
1 1 1  -40    6    5 o   57.243   12.256   24.032   9.2200   0.0000   0.0000   24.032   9.2200  ?   ?    57.243   12.256      ?      ? 
1 1 1  -40    6    6 o  108.962   4.9390   81.163   7.1880   84.410   11.245   78.920   9.3471  110.672   7.4976  107.251   6.4312 3.421570 9.877959 
1 1 1  -40    6    7 o  132.915   4.7228  121.881   8.4098  117.066   12.750  125.590   11.189  130.435   7.2133  135.396   6.0982 -4.960709 9.445595 
1 1 1  -40    6    8 o  147.630   4.6672  150.321   9.2512  143.229   13.866  156.010   12.419  144.333   7.0895  150.927   6.0722 -6.594055 9.334489 
1 1 1  -40    6    9 o   75.899   6.0044   40.627   6.0077   35.810   9.3080   44.066   7.8654   71.758   9.5721   80.041   7.2515 -8.283211 12.00870 
1 1 1  -40    6   10 o  106.494   5.0741   77.454   7.2478   81.448   11.185   74.564   9.5159  108.754   7.5895  104.234   6.7368 4.520157 10.14819 
1 1 1  -40    6   11 o   88.892   6.8893   54.006   8.0013   51.500   9.9654   58.554   13.423   86.311   8.5201   91.473   10.828 -5.162895 13.77851 
1 1 1  -40    6   12 o  245.674   5.9527  410.595   18.817  397.194   23.062  437.287   32.548  240.460   7.0773  250.888   9.5734 -10.42816 11.90538 
1 1 1  -40    6   13 o   90.529   6.0968   59.959   6.5810   64.419   7.8393   49.313   12.111   97.036   5.9615   84.022   10.637 13.01406 12.19359 
1 1 1  -40    6   14 o  111.917   5.5072   87.897   7.5186   90.187   8.9456   82.389   13.876  114.859   5.7473  108.976   9.3960 5.882446 11.01437 
1 1 1  -40    6   15 o   87.150   6.3833   54.048   7.1298   57.719   8.9456   47.654   11.805   91.660   7.2019   82.640   10.541 9.020142 12.76668 
1 1 1  -40    6   16 f   78.052   6.6233   42.090   6.6860   41.730   8.2896   42.761   11.310   77.839   7.8587   78.264   10.664 -0.4245529 13.24668 
1 1 1  -40    6   17 o  141.007   5.0774  131.788   8.7853  125.706   10.309  147.924   16.792  135.643   5.6082  146.371   8.4656 -10.72763 10.15474 
1 1 1  -40    6   18 o   73.741   7.1277   40.519   6.1067   43.716   7.3191   33.195   11.078   79.842   6.7646   67.639   12.548 12.20312 14.25548 
1 1 1  -40    6   19 o  119.180   5.6232  102.371   8.1465  109.163   9.7874   87.055   14.698  126.386   5.7146  111.973   9.6864 14.41303 11.24649 
1 1 1  -40    6   20 f  139.428   5.1799  130.755   8.9348  126.810   10.581  140.561   16.681  136.216   5.7319  142.639   8.6296 -6.422638 10.35981 
1 1 1  -40    6   21 o  118.547   5.3479   93.441   7.9442   88.558   9.4567  105.149   14.644  113.761   6.1343  123.332   8.7618 -9.570740 10.69572 
1 1 1  -40    6   22 o   65.749   7.1946   27.299   5.9431   20.826   7.1379   41.929   10.730   53.893   10.146   77.605   10.203 -23.71202 14.38919 
1 1 1  -40    6   23 o  141.766   5.7204  135.145   10.827  119.661   13.924  158.823   17.218  131.834   7.7937  151.697   8.3756 -19.86264 11.44085 
1 1 1  -40    6   24 o   76.475   6.7114   39.605   6.4405   38.065   7.6997   43.190   11.752   74.376   7.6394   78.573   11.037 -4.197075 13.42290 
1 1 1  -40    6   25 o   90.862   6.0148   54.439   6.9189   50.193   8.2713   64.334   12.626   85.486   7.1399   96.238   9.6816 -10.75231 12.02961 
1 1 1  -40    6   26 o  117.011   5.6843   96.015   8.2543   98.633   9.9428   90.209   14.806  120.047   6.1119  113.976   9.5859 6.070206 11.36860 
1 1 1  -40    6   27 o   91.862   6.4120   59.412   7.3248   60.986   8.8379   55.960   13.090   94.258   6.9191   89.465   10.797 4.792747 12.82400 
1 1 1  -40    6   28 o  255.232   5.4869  440.956   17.007  431.424   19.932  466.475   32.612  251.147   5.8564  259.318   9.2804 -8.170578 10.97373 
1 1 1  -40    6   29 o   94.970   7.0866   61.970   9.1202   61.970   9.1202   0.0000   0.0000   94.970   7.0866  ?   ?       ?      ? 
1 1 1  -40    6   30 o  116.470   7.3956   93.341   11.673   93.341   11.673   0.0000   0.0000  116.470   7.3956  ?   ?       ?      ? 
1 1 1  -40    6   31 o   76.870   8.3765   46.440   7.6961   59.003   9.9805   28.012   12.087   92.476   7.9642   61.264   14.739 31.21143 16.75291 
1 1 1  -40    6   32 o  154.747   5.6867  165.132   11.505  164.573   14.478  166.089   18.952  154.771   6.9029  154.723   9.0390 0.4869080E-01 11.37337 
1 1 1  -40    6   33 o  136.168   5.5291  127.397   9.4002  126.565   11.275  129.295   17.025  135.914   6.1214  136.422   9.2093 -0.5081635 11.05814 
1 1 1  -40    6   34 o  120.831   5.1720  100.923   8.4349   93.431   12.151  107.891   11.718  116.381   7.7044  125.282   6.9023 -8.901657 10.34410 
1 1 1  -40    6   35 o   62.557   7.7108   29.202   6.1395   20.040   9.0686   36.955   8.3421   52.065   12.916   73.050   8.4270 -20.98519 15.42163 
1 1 1  -40    6   36 o   99.745   5.5914   68.614   7.5311   70.349   11.185   67.176   10.186  100.826   8.1861   98.664   7.6185 2.161781 11.18275 
1 1 1  -40    6   37 o   99.140   5.6300   68.141   7.5103   66.401   11.224   69.552   10.106   97.860   8.4637  100.419   7.4265 -2.558449 11.25995 
1 1 1  -40    6   38 o  102.445   5.5223   71.408   7.6039   82.551   11.680   63.213   10.017  109.250   7.8895   95.641   7.7290 13.60980 11.04457 
1 1 1  -40    6   39 o   63.867   7.6376   28.934   6.3739   30.341   9.9385   27.951   8.3074   64.517   11.802   63.218   9.6970 1.298344 15.27513 
1 1 1  -40    6   40 o  199.400   6.1217  277.134   15.146  274.805   27.537  278.144   18.135  197.751   10.276  201.049   6.6564 -3.298004 12.24334 
1 1 1  -40    6   41 o  128.064   6.8404  117.302   10.565  109.261   19.760  120.520   12.503  123.920   11.767  132.209   6.9784 -8.289230 13.68086 
1 1 1  -40    6   42 o  133.633   6.4460  117.444   10.546  142.263   20.517  108.532   12.295  141.922   10.668  125.344   7.2382 16.57829 12.89190 
1 1 1  -40    6   43 o   93.233   6.0711   59.395   7.5848   68.705   11.859   52.949   9.8670   99.226   8.8191   87.240   8.3461 11.98553 12.14228 
1 1 1  -40    6   44 o  129.112   5.2461  115.161   9.1349  117.965   13.667  112.897   12.281  130.410   7.7338  127.814   7.0904 2.595718 10.49214 
1 1 1  -40    6   45 o   59.537   8.3253   25.601   6.4157   30.096   9.9960   22.453   8.3664   63.914   11.981   55.160   11.562 8.754562 16.65053 
1 1 1  -40    6   46 o  125.455   6.6766  105.684   10.768   95.869   13.046  126.662   19.072  117.288   8.2081  133.622   10.533 -16.33430 13.35318 
1 1 1  -40    6   47 o  104.625   5.8294   75.390   8.1749   92.871   12.275   61.457   10.959  115.529   7.8405   93.721   8.6286 21.80845 11.65880 
1 1 1  -40    6   48 o  221.906   5.0267  342.043   15.055  306.570   21.247  377.812   21.335  210.070   7.4635  233.741   6.7356 -23.67017 10.05350 
1 1 1  -40    6   49 o  106.292   5.7793   78.500   8.2976   84.831   12.356   73.300   11.198  110.130   8.2796  102.454   8.0654 7.675934 11.55865 
1 1 1  -40    6   50 o  198.152   4.9893  271.871   13.369  281.940   19.682  263.247   18.216  201.446   7.2097  194.857   6.8986 6.588715 9.978534 
1 1 1  -40    6   51 o   72.171   7.1973   36.488   6.9623   44.909   10.598   30.096   9.2344   79.485   9.8393   64.856   10.507 14.62874 14.39466 
1 1 1  -40    6   52 o   88.190   6.3426   54.732   7.5474   56.992   11.291   52.906   10.148   89.700   9.2888   86.679   8.6391 3.020668 12.68525 
1 1 1  -40    6   53 o   80.720   6.8198   46.948   7.3503   41.606   10.921   51.372   9.9381   76.068   10.595   85.373   8.5902 -9.304962 13.63960 
1 1 1  -40    6   54 o  176.286   5.0953  216.469   12.160  222.521   17.687  211.045   16.744  178.547   7.3099  174.026   7.1003 4.520752 10.19060 
1 1 1  -40    6   55 o   75.633   8.2857   41.664   8.2378   35.125   10.987   50.060   12.449   68.230   12.337   83.035   11.063 -14.80547 16.57134 
1 1 1  -40    6   56 o   85.199   8.8767   53.029   10.165   60.988   15.633   47.199   13.379   90.539   12.742   79.859   12.363 10.68071 17.75339 
1 1 1  -40    6   57 o   40.380   10.164   11.647   6.9677   11.563   9.2865   11.756   10.540   39.972   13.946   40.787   14.791 -0.8149147 20.32897 
1 1 1  -40    6   58 o   65.533   9.1337   32.941   7.7325   32.551   10.134   33.484   11.963   65.666   11.823   65.400   13.925 0.2662582 18.26740 
1 1 1  -40    6   59 o   62.405   9.1976   31.041   7.5617   37.207   10.011   22.850   11.539   71.625   10.314   53.185   15.232 18.44044 18.39525 
1 1 1  -40    6   60 o  108.315   6.5730   82.710   9.4368   77.463   12.002   91.207   15.273  104.396   8.4836  112.233   10.042 -7.837151 13.14598 
1 1 1  -40    6   61 o   56.561   12.806   24.918   9.5871   24.918   9.5871   0.0000   0.0000   56.561   12.806  ?   ?       ?      ? 
1 1 1  -40    6   62 o   76.484   10.505   45.702   10.598   61.552   15.981   33.257   14.160   89.913   13.116   63.055   16.413 26.85833 21.00960 
1 1 1  -40    6   63 o  162.449   7.3677  193.224   16.132  192.135   24.005  194.120   21.783  161.368   10.978  163.529   9.8299 -2.160904 14.73539 
1 1 1  -40    6   64 o   74.069   10.390   43.571   9.9835   49.092   15.340   39.514   13.150   77.877   15.080   70.261   14.297 7.615372 20.78030 
1 1 1  -40    6   65 o   40.576   11.082   11.383   8.6146   10.713   13.109   11.892   11.429   40.495   16.053   40.656   15.284 -0.1611900 22.16472 
1 1 1  -40    6   66 o   33.542   10.289   2.1693   8.5900   4.4626   13.075   0.4279   11.394   35.720   15.257   31.363   13.809 4.356358 20.57865 
1 1 1  -40    6   70 o   48.284   16.649   20.237   13.215   0.0000   0.0000   20.237   13.215  ?   ?    48.284   16.649      ?      ? 
1 1 1  -40    6   71 o   53.286   16.599   25.394   13.274   0.0000   0.0000   25.394   13.274  ?   ?    53.286   16.599      ?      ? 
1 1 1  -40    6   72 o  110.301   11.661   93.899   17.430   0.0000   0.0000   93.899   17.430  ?   ?   110.301   11.661      ?      ? 
1 1 1  -40    6   73 o   47.373   16.969   20.371   13.821   0.0000   0.0000   20.371   13.821  ?   ?    47.373   16.969      ?      ? 
1 1 1  -40    7    1 o  130.724   5.5502  117.177   9.8321   0.0000   0.0000  117.177   9.8321  ?   ?   130.724   5.5502      ?      ? 
1 1 1  -40    7    2 o  141.186   4.5298  135.734   8.4282  143.266   13.768  131.220   10.659  144.057   7.0527  138.316   5.6865 5.740189 9.059668 
1 1 1  -40    7    3 o  133.912   4.5747  124.255   8.0633  119.575   12.913  127.247   10.324  131.571   7.2422  136.253   5.5912 -4.681442 9.149332 
1 1 1  -40    7    4 o   85.273   5.2420   50.144   5.8132   50.635   9.7029   49.869   7.2606   85.365   8.3877   85.182   6.2898 0.1827164 10.48403 
1 1 1  -40    7    5 o   37.944   7.6492   11.041   4.2862   5.4462   7.4347   13.827   5.2458   32.123   12.268   43.764   9.1401 -11.64173 15.29843 
1 1 1  -40    7    6 o  103.592   4.9972   74.072   6.8297   73.538   10.962   74.410   8.7317  103.081   7.8472  104.104   6.1894 -1.022705 9.994322 
1 1 1  -40    7    7 o  103.787   4.9510   74.734   6.8286   71.308   10.618   77.151   8.9173  101.561   7.7150  106.012   6.2072 -4.451469 9.902040 
1 1 1  -40    7    8 o   53.531   8.4179   21.156   5.9615   23.877   8.3517   18.329   8.5123   57.296   11.158   49.766   12.608 7.530445 16.83576 
1 1 1  -40    7    9 o  108.022   4.9672   80.066   7.1623   81.998   11.190   78.724   9.3222  108.981   7.5768  107.063   6.4253 1.917931 9.934430 
1 1 1  -40    7   10 o  119.882   4.9009   99.991   7.8456   91.110   11.823  106.980   10.488  114.888   7.5938  124.876   6.1975 -9.988472 9.801728 
1 1 1  -40    7   11 o  175.707   4.6223  210.549   10.936  224.931   16.619  199.565   14.523  180.871   6.7802  170.542   6.2841 10.32864 9.244514 
1 1 1  -40    7   12 o  138.324   4.9308  130.075   8.4374  127.841   10.022  135.512   15.635  136.727   5.4089  139.921   8.2458 -3.193817 9.861547 
1 1 1  -40    7   13 o  112.719   5.4662   92.758   7.4665  100.550   9.0052   75.618   13.356  121.249   5.4807  104.190   9.4594 17.05888 10.93241 
1 1 1  -40    7   14 o   95.718   6.0991   62.795   7.9112   62.795   7.9112   0.0000   0.0000   95.718   6.0991  ?   ?       ?      ? 
1 1 1  -40    7   15 o   60.965   7.7211   29.482   5.4858   33.739   6.6022   19.989   9.8593   70.045   6.9556   51.886   13.787 18.15826 15.44223 
1 1 1  -40    7   16 o   89.526   6.5323   62.549   6.7444   72.209   8.1254   41.153   12.093  102.699   5.8385   76.354   11.687 26.34507 13.06456 
1 1 1  -40    7   17 o  122.849   5.1883  102.903   7.9627  101.291   9.5324  106.624   14.484  121.649   5.7824  124.049   8.6161 -2.400139 10.37658 
1 1 1  -40    7   18 o   61.478   7.0925   23.642   5.4395   18.046   6.4698   37.137   10.047   50.058   9.8883   72.898   10.170 -22.83980 14.18493 
1 1 1  -40    7   19 o  168.663   5.0435  187.768   10.453  177.626   12.258  214.793   20.009  161.144   5.6134  176.183   8.3808 -15.03868 10.08704 
1 1 1  -40    7   20 o  188.454   5.2141  247.474   12.062  251.623   14.375  237.603   22.175  191.822   5.5301  185.085   8.8413 6.736420 10.42830 
1 1 1  -40    7   21 o  151.991   5.3828  165.570   10.079  175.963   12.205  143.280   17.873  160.387   5.6155  143.594   9.1851 16.79285 10.76564 
1 1 1  -40    7   22 o   39.544   9.2799   10.834   5.9971   13.964   7.6911   5.9802   9.5785   43.763   12.402   35.325   13.808 8.437813 18.55984 
1 1 1  -40    7   23 f  130.292   5.6596  117.499   9.6361  118.164   12.147  116.370   15.828  131.128   6.8357  129.456   9.0221 1.671814 11.31924 
1 1 1  -40    7   24 o  102.320   7.5385   73.481   10.328   72.887   15.821   73.922   13.634  101.685   11.481  102.956   9.7720 -1.271278 15.07696 
1 1 1  -40    7   25 o   62.287   10.108   28.827   8.2498   29.421   12.895   28.414   10.734   62.504   15.339   62.071   13.169 0.4328041 20.21633 
1 1 1  -40    7   26 f  111.444   5.6724   85.968   7.9278   86.197   9.5656   85.463   14.168  112.102   6.2967  110.786   9.4370 1.315277 11.34488 
1 1 1  -40    7   27 o  113.841   5.5614   86.500   7.9932   81.577   9.5684   97.870   14.542  109.010   6.4772  118.673   9.0423 -9.662209 11.12280 
1 1 1  -40    7   28 o  138.071   5.3520  129.460   9.2193  126.329   11.004  136.833   16.886  135.777   5.9806  140.365   8.8774 -4.588226 10.70403 
1 1 1  -40    7   29 o  167.277   5.4049  196.815   11.252  202.945   13.599  183.507   20.036  172.130   5.8299  162.424   9.1031 9.706284 10.80989 
1 1 1  -40    7   30 o  126.090   6.2861  109.108   10.741  109.108   10.741   0.0000   0.0000  126.090   6.2861  ?   ?       ?      ? 
1 1 1  -40    7   31 o  115.197   6.4502   91.150   10.069   91.150   10.069   0.0000   0.0000  115.197   6.4502  ?   ?       ?      ? 
1 1 1  -40    7   32 o   64.951   7.9056   28.687   6.4904   25.426   7.9088   35.411   11.358   60.318   9.6757   69.583   12.505 -9.265102 15.81122 
1 1 1  -40    7   33 o  109.058   5.7751   79.161   8.0070   73.503   9.6209   91.912   14.442  103.325   6.8712  114.792   9.2842 -11.46754 11.55027 
1 1 1  -40    7   34 o  113.053   5.7689   85.642   8.2684   80.583   9.9323   97.061   14.923  108.195   6.7743  117.911   9.3397 -9.716011 11.53775 
1 1 1  -40    7   35 o   36.801   9.5482   7.7570   5.9580   6.3258   7.2969   10.620   10.320   33.014   12.251   40.588   14.649 -7.573513 19.09632 
1 1 1  -40    7   36 f   82.879   8.5170   48.237   9.4877   57.324   14.420   41.300   12.599   89.720   11.860   76.039   12.227 13.68092 17.03408 
1 1 1  -40    7   37 o  145.502   6.3328  154.048   11.321  131.448   20.032  164.654   13.723  136.343   10.842  154.662   6.5476 -18.31905 12.66564 
1 1 1  -40    7   38 o  146.005   6.1516  147.112   11.104  152.259   20.530  144.984   13.201  146.967   10.308  145.042   6.7165 1.925369 12.30315 
1 1 1  -40    7   39 o  133.051   5.1231  123.220   9.1506  115.115   13.624  129.883   12.352  128.824   7.8038  137.278   6.6395 -8.453827 10.24614 
1 1 1  -40    7   40 o   97.018   7.3514   68.614   8.5334   61.731   15.971   71.365   10.095   92.496   12.742  101.541   7.3366 -9.045639 14.70278 
1 1 1  -40    7   41 o  148.394   6.2538  153.282   11.396  155.680   21.199  152.308   13.514  148.227   10.553  148.560   6.7129 -0.3328857 12.50753 
1 1 1  -40    7   42 o  150.410   5.0741  156.954   10.298  152.558   15.151  160.729   14.040  148.282   7.5401  152.539   6.7920 -4.257050 10.14811 
1 1 1  -40    7   43 o  158.281   4.9957  174.105   10.661  165.099   15.622  181.956   14.585  154.234   7.4743  162.328   6.6304 -8.093369 9.991341 
1 1 1  -40    7   44 o  141.886   5.1251  140.392   9.7863  131.105   14.397  148.369   13.343  137.271   7.7392  146.501   6.7210 -9.230164 10.25025 
1 1 1  -40    7   45 o   50.440   8.9056   19.389   6.0674   17.099   9.2070   21.146   8.0667   47.527   13.604   53.354   11.496 -5.827202 17.81122 
1 1 1  -40    7   46 o  105.865   7.1319   80.016   9.8166   81.127   12.339   78.100   16.203  107.598   8.4623  104.133   11.482 3.465012 14.26372 
1 1 1  -40    7   47 o   57.781   9.9804   26.855   7.9656   32.016   10.015   17.968   13.142   66.750   11.072   48.812   16.609 17.93779 19.96074 
1 1 1  -40    7   48 o   69.235   7.2041   34.135   6.7232   34.833   10.074   33.574   9.0281   69.706   10.665   68.764   9.6883 0.9413757 14.40818 
1 1 1  -40    7   49 o   78.059   6.8026   43.450   7.1491   41.735   10.591   44.885   9.6897   76.401   10.230   79.716   8.9698 -3.314629 13.60522 
1 1 1  -40    7   50 f  116.345   5.4965   95.043   8.6336   89.671   12.511   99.926   11.929  113.002   8.1703  119.688   7.3547 -6.685799 10.99295 
1 1 1  -40    7   51 o  123.677   6.2558  106.296   10.282   98.968   13.130  117.916   16.533  118.650   8.1658  128.704   9.4795 -10.05407 12.51165 
1 1 1  -40    7   52 o   81.012   7.6123   46.269   8.2507   38.832   10.746   56.951   12.879   73.251   10.825   88.772   10.706 -15.52091 15.22465 
1 1 1  -40    7   53 o   40.312   9.9956   10.826   6.9003   6.3052   9.2103   16.611   10.418   34.310   13.501   46.315   14.743 -12.00486 19.99128 
1 1 1  -40    7   54 f  143.648   6.0784  141.475   11.597  123.550   14.717  170.828   18.833  132.312   8.2082  154.984   8.9672 -22.67200 12.15670 
1 1 1  -40    7   55 f  155.268   6.0397  167.750   12.466  155.535   15.920  187.111   20.042  148.589   7.9061  161.946   9.1326 -13.35638 12.07936 
1 1 1  -40    7   56 o   59.829   10.026   29.636   8.9422   12.277   13.369   43.692   12.029   42.625   16.409   77.033   11.524 -34.40817 20.05102 
1 1 1  -40    7   57 o  120.050   6.4011  103.249   10.178  104.244   13.142  101.760   16.089  121.468   7.9837  118.632   10.008 2.836548 12.80210 
1 1 1  -40    7   58 f   84.603   7.5052   52.031   8.4747   50.942   11.036   53.596   13.230   84.035   9.6910   85.171   11.463 -1.136093 15.01038 
1 1 1  -40    7   59 o   89.546   9.3576   63.468   10.551   48.304   15.805   75.658   14.171   77.143   15.654  101.949   10.257 -24.80684 18.71515 
1 1 1  -40    7   60 o   55.767   11.129   26.571   9.0458   19.088   14.254   31.617   11.704   48.544   17.249   62.990   14.067 -14.44621 22.25814 
1 1 1  -40    7   61 o   73.267   16.250   44.582   15.711   44.582   15.711   0.0000   0.0000   73.267   16.250  ?   ?       ?      ? 
1 1 1  -40    7   62 o   28.121   13.116  -7.6441   12.271  -7.6441   12.271   0.0000   0.0000   28.121   13.116  ?   ?       ?      ? 
1 1 1  -40    7   63 o   51.885   11.459   22.873   8.9704   20.138   14.108   24.730   11.622   49.116   17.187   54.654   15.161 -5.537308 22.91800 
1 1 1  -40    7   64 o   78.926   10.251   49.370   10.442   55.627   16.307   45.021   13.595   82.648   15.117   75.203   13.850 7.444588 20.50237 
1 1 1  -40    7   65 o   42.728   10.855   13.447   8.8475   2.3297   13.606   21.592   11.646   34.723   15.194   50.733   15.506 -16.01041 21.70918 
1 1 1  -40    7   66 f   52.688   11.554   24.323   9.4120   17.805   14.306   29.298   12.497   46.482   17.173   58.893   15.462 -12.41161 23.10815 
1 1 1  -40    7   67 o   64.361   11.553   35.538   10.092   40.815   15.000   31.173   13.641   68.852   16.325   59.870   16.352 8.981510 23.10588 
1 1 1  -40    7   68 o   51.304   11.640   23.029   9.7001   14.216   14.044   31.069   13.413   42.942   16.738   59.667   16.181 -16.72510 23.28037 
1 1 1  -40    7   69 o   50.241   16.480   22.338   12.957   0.0000   0.0000   22.338   12.957  ?   ?    50.241   16.480      ?      ? 
1 1 1  -40    7   70 o   38.995   15.579   10.732   12.438   0.0000   0.0000   10.732   12.438  ?   ?    38.995   15.579      ?      ? 
1 1 1  -40    7   71 o   59.575   16.651   32.386   13.964   0.0000   0.0000   32.386   13.964  ?   ?    59.575   16.651      ?      ? 
1 1 1  -40    7   72 o   36.084   15.293   7.1348   12.959   0.0000   0.0000   7.1348   12.959  ?   ?    36.084   15.293      ?      ? 
1 1 1  -40    7   73 o   37.714   15.803   9.3731   13.585   0.0000   0.0000   9.3731   13.585  ?   ?    37.714   15.803      ?      ? 
1 1 1  -40    8    1 o   49.258   8.4356   15.723   4.3632   21.911   11.107   14.594   4.7447   53.381   14.825   45.134   8.0528 8.246872 16.87116 
1 1 1  -40    8    2 o  106.547   6.7512   81.850   9.2898   73.013   15.153   87.172   11.759  101.132   11.057  111.962   7.7502 -10.82956 13.50234 
1 1 1  -40    8    3 o  137.385   5.6811  130.108   9.0422  133.989   18.472  128.885   10.369  137.764   9.8947  137.007   5.5851 0.7575531 11.36218 
1 1 1  -40    8    4 o   97.016   6.3629   65.219   6.9311   67.227   14.782   64.653   7.8472   97.072   11.237   96.961   5.9722 0.1110229 12.72589 
1 1 1  -40    8    5 o   42.434   9.0774   11.173   4.6652   17.341   10.980   9.8140   5.1536   48.165   15.112   36.702   10.062 11.46352 18.15479 
1 1 1  -40    8    6 o   96.350   6.2988   64.702   6.9309   65.277   14.364   64.528   7.9130   95.818   11.062   96.881   6.0272 -1.063309 12.59752 
1 1 1  -40    8    7 o   58.889   8.4752   30.710   5.6246   15.223   11.602   35.467   6.4308   46.047   15.606   71.731   6.6157 -25.68404 16.95034 
1 1 1  -40    8    8 o   93.072   6.6551   59.678   7.1505   62.741   14.740   58.736   8.1772   93.803   11.596   92.341   6.5347 1.462112 13.31020 
1 1 1  -40    8    9 o  174.859   5.8178  215.796   12.279  205.073   23.098  220.021   14.497  170.739   9.9828  178.978   5.9773 -8.238937 11.63552 
1 1 1  -40    8   10 o  203.077   6.5242  291.762   17.689  263.221   26.534  314.591   23.731  193.387   10.125  212.768   8.2306 -19.38077 13.04841 
1 1 1  -40    8   11 o   81.046   8.4663   49.104   8.5423   41.147   13.814   54.030   10.870   74.148   14.266   87.943   9.1207 -13.79478 16.93256 
1 1 1  -40    8   12 o  292.034   5.8863  587.204   22.267  574.375   27.573  611.258   37.754  288.518   7.0522  295.550   9.4265 -7.032043 11.77254 
1 1 1  -40    8   13 o  137.512   5.2791  127.595   9.5277  118.874   11.895  143.201   15.913  131.388   6.6810  143.635   8.1755 -12.24673 10.55818 
1 1 1  -40    8   14 o  138.991   4.9552  128.914   8.6077  122.495   10.231  144.462   15.924  133.688   5.6474  144.295   8.1438 -10.60690 9.910321 
1 1 1  -40    8   15 o   86.666   6.0439   54.695   6.3525   58.410   7.6306   46.308   11.466   92.232   6.1052   81.101   10.433 11.13113 12.08784 
1 1 1  -40    8   16 o  100.443   6.0351   69.247   8.2146   69.247   8.2146   0.0000   0.0000  100.443   6.0351  ?   ?       ?      ? 
1 1 1  -40    8   17 o  168.553   4.9871  192.810   10.384  188.480   12.308  203.503   19.343  165.904   5.4747  171.203   8.3374 -5.299438 9.974203 
1 1 1  -40    8   18 o   26.248   7.8784   0.9468   4.6989   2.3623   5.6451  -2.2464   8.4786   25.915   10.445   26.581   11.797 -0.6655769 15.75684 
1 1 1  -40    8   19 o   75.456   6.9400   42.831   6.1939   47.253   7.5674   33.855   10.781   82.848   6.7404   68.065   12.133 14.78282 13.87992 
1 1 1  -40    8   20 o   89.842   6.0118   57.343   6.7170   59.483   8.1320   52.747   11.917   93.015   6.4516   86.670   10.146 6.344315 12.02356 
1 1 1  -40    8   21 o   81.303   6.3912   47.694   6.4366   50.506   7.8224   41.798   11.327   85.652   6.7394   76.954   10.861 8.697601 12.78234 
1 1 1  -40    8   22 o   33.317   8.6730   6.1640   4.9414   4.9531   6.0808   8.5181   8.4786   29.844   11.162   36.789   13.278 -6.945042 17.34604 
1 1 1  -40    8   23 o  164.726   5.0091  184.590   10.294  180.697   12.295  193.716   18.825  162.407   5.5864  167.045   8.3161 -4.638397 10.01828 
1 1 1  -40    8   24 o   94.924   5.5993   59.564   6.8579   53.719   8.3344   71.817   12.068   88.279   6.9668  101.568   8.7678 -13.28968 11.19869 
1 1 1  -40    8   25 o   83.542   6.7613   48.221   7.5924   40.711   10.166   57.696   11.418   76.198   9.8447   90.885   9.2705 -14.68678 13.52263 
1 1 1  -40    8   26 o  149.099   5.6877  151.271   11.333  137.818   14.632  171.445   17.918  141.132   7.6507  157.067   8.4182 -15.93564 11.37539 
1 1 1  -40    8   27 o  136.054   5.2140  120.648   9.0191  108.371   10.786  149.180   16.443  125.550   6.3398  146.558   8.2794 -21.00769 10.42797 
1 1 1  -40    8   28 o  281.934   5.6596  547.289   19.549  541.903   23.117  560.811   36.629  280.898   6.0730  282.970   9.5522 -2.071899 11.31928 
1 1 1  -40    8   29 o   75.547   8.2524   42.887   7.8246   54.792   10.718   29.302   11.449   88.617   8.9253   62.477   13.883 26.14050 16.50473 
1 1 1  -40    8   30 o  211.018   5.7453  308.903   16.033  307.678   20.544  310.813   25.642  211.045   7.1835  210.992   8.9683 0.5282593E-01 11.49052 
1 1 1  -40    8   31 o  174.596   7.2963  210.766   17.263  210.766   17.263   0.0000   0.0000  174.596   7.2963  ?   ?       ?      ? 
1 1 1  -40    8   32 o   93.102   8.9008   60.544   11.230   60.544   11.230   0.0000   0.0000   93.102   8.9008  ?   ?       ?      ? 
1 1 1  -40    8   33 o   67.377   7.4622   30.947   6.5748   27.936   8.1341   36.621   11.167   63.090   9.5140   71.664   11.499 -8.574326 14.92449 
1 1 1  -40    8   34 o   98.793   6.2137   69.274   7.7592   71.421   9.5053   64.985   13.433  101.698   6.8972   95.888   10.338 5.809212 12.42743 
1 1 1  -40    8   35 o   59.146   8.6078   27.490   6.4296   31.700   7.9783   19.691   10.860   67.350   8.7415   50.942   14.831 16.40805 17.21569 
1 1 1  -40    8   36 o  100.341   6.0254   67.256   7.8049   60.940   9.4980   80.389   13.696   93.743   7.4767  106.939   9.4510 -13.19542 12.05083 
1 1 1  -40    8   37 o  142.019   5.3856  130.686   9.7137  115.127   11.581  167.598   17.838  129.144   6.6177  154.895   8.4984 -25.75143 10.77111 
1 1 1  -40    8   38 o  110.618   6.0575   85.934   8.5437   86.683   10.486   84.454   14.736  111.940   6.9126  109.296   9.9493 2.644135 12.11496 
1 1 1  -40    8   39 o   46.935   9.0220   16.679   5.9047   14.794   8.8428   18.195   7.9321   44.539   13.489   49.331   11.984 -4.791546 18.04394 
1 1 1  -40    8   40 o   39.119   9.1438   10.642   5.5957   12.990   8.6388   8.9443   7.3449   42.093   13.428   36.146   12.415 5.946693 18.28769 
1 1 1  -40    8   41 o   40.653   10.203   11.263   6.5500   9.6463   13.014   11.811   7.5800   41.146   16.092   40.160   12.549 0.9859467 20.40640 
1 1 1  -40    8   42 o   37.714   9.1284   8.6542   5.7137   15.096   9.1115   4.4793   7.3352   44.822   13.718   30.605   12.047 14.21706 18.25688 
1 1 1  -40    8   43 o   63.679   7.4433   28.718   6.3750   31.230   9.7592   26.848   8.4196   65.957   10.919   61.400   10.119 4.557922 14.88663 
1 1 1  -40    8   44 o   78.000   6.6653   43.343   6.9784   40.977   10.424   45.264   9.3943   75.789   10.149   80.211   8.6427 -4.421898 13.33065 
1 1 1  -40    8   45 o   35.528   8.8611   7.8658   5.8107   0.7711   8.8962   13.145   7.6738   29.164   12.524   41.892   12.539 -12.72798 17.72228 
1 1 1  -40    8   46 o   93.475   6.0778   61.735   7.6649   59.593   11.253   63.590   10.469   91.763   9.0495   95.188   8.1159 -3.425377 12.15568 
1 1 1  -40    8   47 f  153.368   7.4009  164.253   15.382  164.253   15.382   0.0000   0.0000  153.368   7.4009  ?   ?       ?      ? 
1 1 1  -40    8   48 o  136.550   6.1570  131.723   11.129  131.293   14.297  132.384   17.728  136.885   7.7071  136.216   9.6038 0.6692200 12.31393 
1 1 1  -40    8   49 o  115.954   6.5911   97.079   10.123  103.541   13.308   88.206   15.594  121.292   8.0965  110.617   10.403 10.67509 13.18224 
1 1 1  -40    8   50 o   68.269   8.7029   33.761   7.7311   24.278   10.075   47.341   12.057   55.874   13.465   80.664   11.030 -24.79013 17.40578 
1 1 1  -40    8   51 o  130.778   6.1735  119.001   10.760  108.970   13.803  134.539   17.179  124.243   8.1982  137.314   9.2323 -13.07069 12.34692 
1 1 1  -40    8   52 o  132.337   6.2723  124.894   11.024  126.091   14.304  123.141   17.299  133.782   7.8897  130.893   9.7529 2.889709 12.54460 
1 1 1  -40    8   53 f  120.513   6.4997  103.964   10.411  104.493   13.517  103.192   16.324  121.531   8.2077  119.495   10.081 2.036537 12.99948 
1 1 1  -40    8   54 o   79.798   7.7831   47.164   8.2494   50.045   10.904   43.308   12.615   83.374   9.6507   76.222   12.213 7.152084 15.56610 
1 1 1  -40    8   55 o  151.664   6.0041  161.116   12.078  152.058   15.396  175.610   19.475  146.812   7.7387  156.515   9.1820 -9.703125 12.00817 
1 1 1  -40    8   56 o   56.369   14.744   25.693   11.391   0.0000   0.0000   25.693   11.391  ?   ?    56.369   14.744      ?      ? 
1 1 1  -40    8   57 o  148.209   7.3658  162.016   14.572  148.392   21.918  172.808   19.508  141.469   11.433  154.949   9.2904 -13.47984 14.73159 
1 1 1  -40    8   58 o   73.516   10.322   45.424   9.7686   31.818   15.250   54.893   12.721   60.714   17.546   86.317   10.876 -25.60210 20.64333 
1 1 1  -40    8   59 o   55.204   11.540   25.292   9.0922   28.039   14.438   23.486   11.705   57.097   17.224   53.311   15.362 3.785759 23.07944 
1 1 1  -40    8   60 o   74.961   10.563   47.138   10.224   35.972   15.947   54.931   13.323   64.140   17.747   85.781   11.461 -21.64027 21.12574 
1 1 1  -40    8   61 o   83.898   15.264   57.370   16.715   57.370   16.715   0.0000   0.0000   83.898   15.264  ?   ?       ?      ? 
1 1 1  -40    8   62 o   50.730   11.759   21.454   9.5622   28.355   13.882   15.224   13.190   57.243   16.799   44.217   16.459 13.02631 23.51768 
1 1 1  -40    8   63 o   33.496   10.134   2.6211   8.4892  -4.3673   12.869   8.0053   11.296   30.206   13.854   36.786   14.794 -6.580130 20.26795 
1 1 1  -40    8   64 o   28.821   9.3169  -4.2929   8.2738 -10.0762   12.640   0.0430   10.944   27.244   12.895   30.398   13.451 -3.154028 18.63372 
1 1 1  -40    8   65 f   40.096   10.306   8.7974   8.8702  -8.7451   13.280   22.928   11.919   28.485   13.401   51.708   15.661 -23.22363 20.61169 
1 1 1  -40    8   66 o   64.369   11.662   36.260   10.196   38.392   15.031   34.443   13.877   65.899   16.785   62.839   16.194 3.060192 23.32369 
1 1 1  -40    8   67 o   39.245   10.481   7.8908   9.0718  -8.2342   13.280   21.999   12.422   28.488   13.402   50.001   16.118 -21.51291 20.96203 
1 1 1  -40    8   68 o   90.586   10.008   67.911   11.765   58.329   17.136   76.454   16.180   82.070   15.983   99.103   12.048 -17.03353 20.01534 
1 1 1  -40    8   69 o   57.398   16.863   30.423   13.982   0.0000   0.0000   30.423   13.982  ?   ?    57.398   16.863      ?      ? 
1 1 1  -40    8   70 o   50.311   17.340   24.036   14.335   0.0000   0.0000   24.036   14.335  ?   ?    50.311   17.340      ?      ? 
1 1 1  -40    8   71 o   30.297   13.958  -2.8231   13.262   0.0000   0.0000  -2.8231   13.262  ?   ?    30.297   13.958      ?      ? 
1 1 1  -40    8   72 o   45.505   17.130   19.706   14.366   0.0000   0.0000   19.706   14.366  ?   ?    45.505   17.130      ?      ? 
1 1 1  -40    8   73 o   43.397   17.058   17.742   14.686   0.0000   0.0000   17.742   14.686  ?   ?    43.397   17.058      ?      ? 
1 1 1  -40    9    1 o   88.953   8.3100   55.547   10.017   55.547   10.017   0.0000   0.0000   88.953   8.3100  ?   ?       ?      ? 
1 1 1  -40    9    2 o  179.332   6.9094  223.225   16.791  223.225   16.791   0.0000   0.0000  179.332   6.9094  ?   ?       ?      ? 
1 1 1  -40    9    3 o   80.203   8.8635   45.299   9.6333   45.299   9.6333   0.0000   0.0000   80.203   8.8635  ?   ?       ?      ? 
1 1 1  -40    9    4 o  182.586   6.8907  231.147   17.050  231.147   17.050   0.0000   0.0000  182.586   6.8907  ?   ?       ?      ? 
1 1 1  -40    9    5 o  145.532   6.9974  146.887   13.800  146.887   13.800   0.0000   0.0000  145.532   6.9974  ?   ?       ?      ? 
1 1 1  -40    9    6 o  183.260   6.9794  232.795   17.333  232.795   17.333   0.0000   0.0000  183.260   6.9794  ?   ?       ?      ? 
1 1 1  -40    9    7 o   85.291   5.3923   51.207   5.9305   48.599   9.9087   52.662   7.4028   83.212   8.7872   87.370   6.2524 -4.158333 10.78463 
1 1 1  -40    9    8 o  120.689   4.8214  102.061   7.6480   95.121   12.170  106.590   9.8319  116.917   7.6814  124.461   5.8293 -7.543549 9.642891 
1 1 1  -40    9    9 o   75.521   5.8122   38.172   5.7884   47.215   9.6422   33.077   7.2377   82.098   8.6669   68.943   7.7468 13.15497 11.62444 
1 1 1  -40    9   10 o  180.654   4.6399  226.406   11.227  217.876   17.040  232.951   14.925  177.348   7.0901  183.959   5.9870 -6.611023 9.279745 
1 1 1  -40    9   11 o   46.858   7.7848   16.452   4.6284   17.040   5.6044   15.191   8.2079   48.640   8.8276   45.076   12.825 3.564732 15.56953 
1 1 1  -40    9   12 o   70.598   7.1279   35.357   6.7939   36.738   9.3452   33.809   9.8945   72.218   9.5491   68.979   10.585 3.238503 14.25580 
1 1 1  -40    9   13 o  102.845   6.0048   74.307   8.3018   78.069   11.250   69.807   12.302  105.950   7.8353   99.739   9.1017 6.210678 12.00969 
1 1 1  -40    9   14 o   54.361   7.3447   20.981   5.0107   20.323   6.1246   22.313   8.7136   53.965   8.3750   54.757   12.068 -0.7920914 14.68949 
1 1 1  -40    9   15 o   94.988   5.4476   62.421   6.4995   62.003   7.8358   63.343   11.636   94.916   6.0920   95.059   9.0329 -0.1427307 10.89521 
1 1 1  -40    9   16 o   43.869   8.4579   14.403   4.9974   15.004   6.0857   13.158   8.7569   45.251   10.172   42.488   13.516 2.763031 16.91584 
1 1 1  -40    9   17 o   60.814   8.0038   25.732   6.5961   25.732   6.5961   0.0000   0.0000   60.814   8.0038  ?   ?       ?      ? 
1 1 1  -40    9   18 o   45.634   12.007   15.494   7.5256   15.494   7.5256   0.0000   0.0000   45.634   12.007  ?   ?       ?      ? 
1 1 1  -40    9   19 o   36.733   9.1184   8.9895   5.6519   10.392   7.5244   7.1737   8.5617   38.332   12.558   35.134   13.224 3.197681 18.23688 
1 1 1  -40    9   20 o  102.341   5.9276   72.612   8.0713   70.810   10.414   75.324   12.773  101.017   7.6073  103.665   9.0927 -2.647736 11.85526 
1 1 1  -40    9   21 o   38.783   9.3969   9.8351   5.9539   7.1011   7.8071   13.635   9.2047   34.315   12.684   43.250   13.868 -8.935101 18.79378 
1 1 1  -40    9   22 o   60.928   8.1376   27.522   6.4590   30.787   8.6242   23.350   9.7476   66.140   9.6221   55.716   13.126 10.42432 16.27517 
1 1 1  -40    9   23 o   69.381   7.3091   34.013   6.8022   33.625   8.9870   34.534   10.408   69.125   9.5940   69.638   11.029 -0.5132904 14.61812 
1 1 1  -40    9   24 o   43.223   8.9293   12.974   5.3881   10.528   6.6772   17.541   9.1225   38.162   11.754   48.284   13.445 -10.12180 17.85855 
1 1 1  -40    9   25 o   92.039   5.9229   59.151   6.9229   59.251   8.4472   58.949   12.081   92.628   6.7296   91.451   9.7487 1.177315 11.84584 
1 1 1  -40    9   26 o   46.578   9.5452   15.836   6.5442   10.821   8.9349   21.641   9.6120   39.624   13.688   53.532   13.307 -13.90741 19.09050 
1 1 1  -40    9   27 o  111.331   6.1654   86.590   9.2196   85.673   12.231   87.796   14.031  110.877   8.1402  111.786   9.2621 -0.9091263 12.33083 
1 1 1  -40    9   28 o   71.601   6.7052   32.860   6.2072   24.275   7.5865   50.244   10.796   58.706   9.5362   84.496   9.4286 -25.78964 13.41031 
1 1 1  -40    9   29 o   49.527   8.9692   18.631   5.9242   19.494   7.4213   17.115   9.8359   51.415   10.985   47.639   14.182 3.775551 17.93837 
1 1 1  -40    9   30 o  182.718   5.1521  221.868   11.739  207.907   13.897  256.655   21.936  173.829   5.8994  191.607   8.4483 -17.77782 10.30420 
1 1 1  -40    9   31 o   66.657   7.6523   31.262   6.4048   29.483   7.8353   34.845   11.119   64.812   8.9211   68.502   12.436 -3.690132 15.30456 
1 1 1  -40    9   32 o  122.226   6.4268  103.136   10.645  103.136   10.645   0.0000   0.0000  122.226   6.4268  ?   ?       ?      ? 
1 1 1  -40    9   33 o   93.635   6.2914   58.206   7.4828   52.476   8.9488   71.527   13.643   86.845   7.6039  100.425   10.025 -13.58092 12.58271 
1 1 1  -40    9   34 o  175.895   5.4132  217.388   11.930  220.797   14.442  210.061   21.171  179.025   5.9528  172.766   9.0429 6.258179 10.82638 
1 1 1  -40    9   35 o  148.920   5.4192  151.562   10.199  146.496   12.284  162.802   18.298  145.689   6.2220  152.150   8.8744 -6.461670 10.83831 
1 1 1  -40    9   36 o  198.618   5.4038  271.965   13.442  267.159   16.127  282.902   24.329  196.809   6.0468  200.426   8.9576 -3.616745 10.80750 
1 1 1  -40    9   37 o   72.383   8.3982   41.922   7.2866   50.194   9.2048   28.038   11.925   84.717   8.0179   60.050   14.759 24.66710 16.79641 
1 1 1  -40    9   38 o  180.506   5.5134  229.102   12.460  231.658   15.057  223.551   22.191  183.189   6.0654  177.824   9.2088 5.364639 11.02689 
1 1 1  -40    9   39 o  104.656   6.2805   77.810   8.4111   79.022   10.385   75.499   14.339  106.563   7.1918  102.749   10.298 3.813591 12.56098 
1 1 1  -40    9   40 o  143.284   5.5067  137.639   9.9606  127.950   11.898  160.334   18.211  135.911   6.4602  150.658   8.9197 -14.74753 11.01341 
1 1 1  -40    9   41 o   55.947   9.2888   22.649   7.6168   10.095   10.198   38.488   11.455   39.164   14.493   72.730   11.622 -33.56599 18.57758 
1 1 1  -40    9   42 o  130.126   7.3286  121.776   12.788  120.406   19.441  122.820   16.977  128.916   11.128  131.335   9.5390 -2.419083 14.65719 
1 1 1  -40    9   43 o   51.363   9.2058   18.732   6.8554   8.9086   8.9425   32.734   10.676   36.905   13.587   65.821   12.425 -28.91613 18.41152 
1 1 1  -40    9   44 o   62.103   9.0124   29.569   7.3529   32.184   9.6928   26.024   11.285   66.712   10.722   57.495   14.489 9.216961 18.02486 
1 1 1  -40    9   45 o   86.575   7.2289   53.155   8.3733   49.130   10.860   59.054   13.149   82.863   9.6716   90.287   10.747 -7.424225 14.45779 
1 1 1  -40    9   46 o  105.195   6.6803   77.634   9.3829   71.087   12.091   87.545   14.876  100.018   8.9210  110.372   9.9458 -10.35406 13.36055 
1 1 1  -40    9   47 o   69.829   10.686   35.403   10.112   35.403   10.112   0.0000   0.0000   69.829   10.686  ?   ?       ?      ? 
1 1 1  -40    9   48 o   57.682   9.3295   27.051   7.4471   35.094   9.8303   16.218   11.409   69.587   10.425   45.778   15.475 23.80953 18.65901 
1 1 1  -40    9   49 o   67.364   8.5101   33.434   7.5514   28.886   9.9358   39.655   11.619   61.440   12.362   73.288   11.699 -11.84833 17.02017 
1 1 1  -40    9   50 o   41.806   9.6595   11.645   6.7734   4.2555   9.0109   21.244   10.270   31.944   13.077   51.667   14.220 -19.72237 19.31906 
1 1 1  -40    9   51 o   43.389   9.4691   12.349   6.8102   3.2086   8.9796   24.724   10.449   30.932   12.895   55.845   13.870 -24.91290 18.93829 
1 1 1  -40    9   52 f   77.113   9.8282   46.459   9.7606   44.879   15.470   47.505   12.581   74.170   15.871   80.056   11.597 -5.886246 19.65633 
1 1 1  -40    9   53 o   49.974   11.316   20.596   8.6305   18.286   14.112   21.976   10.908   47.857   17.146   52.092   14.773 -4.235107 22.63204 
1 1 1  -40    9   54 o  120.733   7.7797  106.518   12.539  113.208   19.691  101.954   16.262  123.158   11.798  118.308   10.143 4.850403 15.55937 
1 1 1  -40    9   55 o   69.875   10.937   40.639   9.9561   35.563   16.522   43.533   12.476   63.637   18.227   76.114   12.095 -12.47728 21.87474 
1 1 1  -40    9   56 o   38.637   14.844   9.9769   10.926   0.0000   0.0000   9.9769   10.926  ?   ?    38.637   14.844      ?      ? 
1 1 1  -40    9   57 o   80.767   9.6739   51.527   10.156   47.453   15.347   54.700   13.547   76.121   15.406   85.412   11.704 -9.290802 19.34785 
1 1 1  -40    9   58 o  106.041   8.2471   85.418   11.648   75.979   17.391   93.097   15.686   99.509   12.897  112.574   10.283 -13.06496 16.49420 
1 1 1  -40    9   59 o   72.280   10.453   42.921   9.8719   38.486   15.388   46.022   12.869   66.742   16.975   77.817   12.203 -11.07521 20.90619 
1 1 1  -40    9   60 o   43.411   11.305   14.733   8.8178   12.361   13.088   16.705   11.932   41.532   16.166   45.290   15.808 -3.758396 22.61095 
1 1 1  -40    9   61 o  105.252   12.591   85.386   17.959   85.386   17.959   0.0000   0.0000  105.252   12.591  ?   ?       ?      ? 
1 1 1  -40    9   62 o   42.076   11.502   13.310   9.3228   14.016   13.259   12.620   13.111   42.697   16.365   41.454   16.168 1.243465 23.00469 
1 1 1  -40    9   63 o  104.441   8.9623   85.704   12.444   70.033   17.790  100.718   17.413   93.440   14.050  115.443   11.131 -22.00338 17.92465 
1 1 1  -40    9   64 f   78.587   10.799   52.923   11.107   40.059   16.166   64.426   15.287   66.200   17.685   90.973   12.400 -24.77355 21.59869 
1 1 1  -40    9   65 f  104.875   9.0056   87.180   12.684   78.697   18.384   94.886   17.522   98.774   13.735  110.977   11.651 -12.20232 18.01112 
1 1 1  -40    9   66 o   35.862   10.766   5.4124   9.3611  -0.8918   13.152   11.884   13.326   31.612   14.307   40.113   16.091 -8.501070 21.53137 
1 1 1  -40    9   67 o  102.296   9.3475   84.724   12.811   71.895   18.022   97.830   18.216   93.045   14.293  111.547   12.051 -18.50137 18.69510 
1 1 1  -40    9   68 o   26.657   12.673  -9.3625   12.478   0.0000   0.0000  -9.3625   12.478  ?   ?    26.657   12.673      ?      ? 
1 1 1  -40    9   69 o   43.564   16.903   17.090   14.273   0.0000   0.0000   17.090   14.273  ?   ?    43.564   16.903      ?      ? 
1 1 1  -40    9   70 o   37.417   15.760   9.6066   13.624   0.0000   0.0000   9.6066   13.624  ?   ?    37.417   15.760      ?      ? 
1 1 1  -40    9   71 o   35.823   15.436   7.7231   13.600   0.0000   0.0000   7.7231   13.600  ?   ?    35.823   15.436      ?      ? 
1 1 1  -40    9   72 o   38.858   16.204   12.502   14.185   0.0000   0.0000   12.502   14.185  ?   ?    38.858   16.204      ?      ? 
1 1 1  -40   10    1 o   88.192   8.6866   55.093   10.382   55.093   10.382   0.0000   0.0000   88.192   8.6866  ?   ?       ?      ? 
1 1 1  -40   10    2 o  119.163   7.5874   99.491   12.252   99.491   12.252   0.0000   0.0000  119.163   7.5874  ?   ?       ?      ? 
1 1 1  -40   10    3 o   87.082   8.5049   53.545   10.036   53.545   10.036   0.0000   0.0000   87.082   8.5049  ?   ?       ?      ? 
1 1 1  -40   10    4 o   71.996   9.5864   36.970   9.3529   36.970   9.3529   0.0000   0.0000   71.996   9.5864  ?   ?       ?      ? 
1 1 1  -40   10    5 o  153.857   7.1661  165.036   14.941  165.036   14.941   0.0000   0.0000  153.857   7.1661  ?   ?       ?      ? 
1 1 1  -40   10    6 o  122.437   7.6271  104.855   12.655  104.855   12.655   0.0000   0.0000  122.437   7.6271  ?   ?       ?      ? 
1 1 1  -40   10    7 o   80.274   9.1269   45.653   9.9284   45.653   9.9284   0.0000   0.0000   80.274   9.1269  ?   ?       ?      ? 
1 1 1  -40   10    8 o   89.186   8.5944   56.044   10.387   56.044   10.387   0.0000   0.0000   89.186   8.5944  ?   ?       ?      ? 
1 1 1  -40   10    9 o   88.205   8.5069   54.750   10.168   54.750   10.168   0.0000   0.0000   88.205   8.5069  ?   ?       ?      ? 
1 1 1  -40   10   10 o  119.106   7.5366   98.998   12.164   98.998   12.164   0.0000   0.0000  119.106   7.5366  ?   ?       ?      ? 
1 1 1  -40   10   11 o   60.675   6.7866   27.322   5.0065   28.944   6.1427   24.112   8.6404   64.534   7.0241   56.816   11.614 7.718132 13.57324 
1 1 1  -40   10   12 o  146.196   4.7711  144.694   8.7799  138.957   10.522  157.848   15.932  142.116   5.4635  150.276   7.8232 -8.160080 9.542129 
1 1 1  -40   10   13 o   48.959   7.4553   16.083   4.6106   12.278   5.5929   24.151   8.1449   40.736   10.165   57.182   10.909 -16.44597 14.91058 
1 1 1  -40   10   14 o   42.333   8.9199   12.914   5.8269   19.256   8.3778   6.9717   8.1097   50.456   12.352   34.210   12.872 16.24649 17.83973 
1 1 1  -40   10   15 o   98.671   5.6299   71.498   6.8505   77.727   8.3764   58.919   11.905  106.202   5.8203   91.140   9.6388 15.06122 11.25973 
1 1 1  -40   10   16 o   34.591   8.3210   8.3563   4.6897   9.8680   5.8666   5.6804   7.8055   36.725   10.957   32.458   12.526 4.266731 16.64203 
1 1 1  -40   10   17 o   97.132   5.4242   64.240   6.7061   61.382   8.1112   70.412   11.921   94.236   6.3516  100.028   8.7945 -5.791939 10.84833 
1 1 1  -40   10   18 o  176.629   5.1324  217.380   11.192  218.076   13.352  215.737   20.527  178.050   5.5337  175.208   8.6454 2.842026 10.26470 
1 1 1  -40   10   19 o   49.488   9.8864   17.938   6.3981   17.938   6.3981   0.0000   0.0000   49.488   9.8864  ?   ?       ?      ? 
1 1 1  -40   10   20 o   83.301   6.1774   49.278   6.5016   50.214   7.9381   47.369   11.332   85.092   6.8841   81.510   10.259 3.581642 12.35470 
1 1 1  -40   10   21 o   46.995   8.1187   13.789   5.1878   7.2299   6.2983   27.630   9.1487   32.927   11.486   61.062   11.478 -28.13440 16.23737 
1 1 1  -40   10   22 o  179.100   5.1904  224.497   11.558  226.642   13.883  219.654   20.865  181.458   5.6456  176.743   8.7115 4.714996 10.38089 
1 1 1  -40   10   23 o   86.657   6.2492   54.989   6.7630   59.247   8.3261   46.732   11.595   92.496   6.6426   80.817   10.587 11.67899 12.49835 
1 1 1  -40   10   24 o   61.712   7.9583   28.779   6.0600   30.688   7.4710   25.108   10.361   66.156   8.3335   57.269   13.561 8.887585 15.91655 
1 1 1  -40   10   25 o   98.689   6.0973   70.583   7.4823   74.410   9.1117   62.658   13.111  103.702   6.4838   93.677   10.328 10.02422 12.19466 
1 1 1  -40   10   26 o   46.528   9.0438   16.378   5.7101   16.567   7.0527   16.020   9.7289   47.093   11.212   45.962   14.193 1.130924 18.08758 
1 1 1  -40   10   27 o   66.336   8.3440   32.058   7.3249   29.140   9.8282   35.703   10.986   62.437   12.052   70.236   11.542 -7.798782 16.68796 
1 1 1  -40   10   28 o  150.195   5.3186  155.845   10.027  153.429   12.058  161.260   18.051  149.115   5.9673  151.274   8.8057 -2.158432 10.63718 
1 1 1  -40   10   29 o   68.674   7.6246   34.799   6.4875   35.930   8.0315   32.677   11.005   71.551   8.2832   65.796   12.803 5.755669 15.24923 
1 1 1  -40   10   30 f  110.900   5.7774   85.078   8.2234   82.615   10.066   90.020   14.258  109.096   6.8090  112.704   9.3354 -3.608009 11.55474 
1 1 1  -40   10   31 f   93.177   6.0661   59.299   7.3461   54.980   9.0449   67.669   12.592   88.750   7.5206   97.604   9.5199 -8.853828 12.13212 
1 1 1  -40   10   32 o   97.465   7.2107   66.173   9.5237   66.173   9.5237   0.0000   0.0000   97.465   7.2107  ?   ?       ?      ? 
1 1 1  -40   10   33 o   80.344   7.9546   45.254   8.6607   45.254   8.6607   0.0000   0.0000   80.344   7.9546  ?   ?       ?      ? 
1 1 1  -40   10   34 o  130.207   5.4719  114.442   9.1126  106.449   11.021  131.714   16.201  123.867   6.5660  136.547   8.7552 -12.68069 10.94381 
1 1 1  -40   10   35 o  154.045   5.5534  168.935   10.801  173.965   13.218  158.823   18.740  158.551   6.1518  149.539   9.2476 9.012451 11.10688 
1 1 1  -40   10   36 o   63.644   8.8786   30.481   7.3522   28.306   9.8375   33.233   11.066   61.162   12.296   66.125   12.812 -4.962650 17.75728 
1 1 1  -40   10   37 o   90.707   6.8023   57.752   8.2727   52.138   10.783   65.785   12.898   85.593   9.2963   95.821   9.9330 -10.22750 13.60466 
1 1 1  -40   10   38 o  116.911   6.5194  100.321   9.9593  116.776   13.292   79.255   15.039  129.094   7.5978  104.729   10.596 24.36511 13.03885 
1 1 1  -40   10   39 o   95.197   6.9333   66.103   8.7283   72.276   11.559   57.915   13.313  101.139   8.4339   89.255   11.007 11.88364 13.86663 
1 1 1  -40   10   40 o  141.104   5.9911  141.325   11.221  143.477   14.565  138.182   17.601  143.065   7.5127  139.142   9.3346 3.923096 11.98229 
1 1 1  -40   10   41 o  100.479   7.9139   72.457   10.610   81.201   16.846   66.707   13.660  104.980   11.841   95.978   10.502 9.002090 15.82772 
1 1 1  -40   10   42 o  114.105   7.5464   93.760   11.481   99.319   18.099   90.017   14.853  116.303   11.484  111.907   9.7941 4.396210 15.09289 
1 1 1  -40   10   43 o   94.160   6.7015   63.294   8.4181   62.064   10.948   65.073   13.166   93.480   8.6426   94.840   10.244 -1.359818 13.40301 
1 1 1  -40   10   44 o  107.539   6.5741   83.569   9.3732   87.144   12.250   78.520   14.558  111.013   8.1428  104.065   10.323 6.947769 13.14829 
1 1 1  -40   10   45 o   93.669   7.0286   63.912   8.7531   66.727   11.514   60.058   13.473   96.772   8.7797   90.565   10.978 6.207138 14.05729 
1 1 1  -40   10   46 o  106.057   6.7572   82.391   9.3872   87.913   12.128   74.140   14.825  111.485   8.0278  100.630   10.872 10.85465 13.51438 
1 1 1  -40   10   47 o   82.954   13.367   52.406   15.026   52.406   15.026   0.0000   0.0000   82.954   13.367  ?   ?       ?      ? 
1 1 1  -40   10   48 o   41.122   10.736   11.908   8.2155   5.8922   12.596   16.360   10.838   36.715   15.287   45.530   15.079 -8.814888 21.47229 
1 1 1  -40   10   49 o   43.075   10.361   10.468   8.1871   26.156   12.640  -0.8708   10.746   56.162   15.893   29.988   13.297 26.17311 20.72196 
1 1 1  -40   10   50 o   66.862   9.9932   33.186   9.1937   57.732   14.574   16.964   11.848   87.589   12.279   46.134   15.770 41.45474 19.98650 
1 1 1  -40   10   51 o  123.649   7.7282  115.162   12.605   94.131   18.698  132.684   17.066  111.664   12.356  135.633   9.2853 -23.96947 15.45633 
1 1 1  -40   10   52 o   59.365   10.314   30.202   9.1190   14.561   14.021   41.666   12.005   44.222   16.857   74.507   11.890 -30.28574 20.62830 
1 1 1  -40   10   53 o  103.723   8.2409   80.107   11.495   84.557   17.521   76.743   15.232  105.738   12.228  101.708   11.052 4.029755 16.48189 
1 1 1  -40   10   54 o   47.085   11.203   18.372   8.6929   12.936   13.642   22.088   11.279   42.522   16.518   51.648   15.138 -9.125538 22.40521 
1 1 1  -40   10   55 o  107.588   10.688   85.700   15.583   0.0000   0.0000   85.700   15.583  ?   ?   107.588   10.688      ?      ? 
1 1 1  -40   10   56 o  134.347   7.9418  136.177   14.174  128.104   21.812  142.079   18.649  129.431   12.436  139.263   9.8815 -9.832565 15.88365 
1 1 1  -40   10   57 o   44.075   11.240   15.562   8.6793   12.695   12.943   17.904   11.700   41.676   16.117   46.474   15.672 -4.797421 22.48015 
1 1 1  -40   10   58 o   42.596   10.820   13.986   8.4934   5.8381   12.873   20.268   11.303   36.155   15.278   49.037   15.324 -12.88151 21.63913 
1 1 1  -40   10   59 o  121.461   8.6878  116.174   13.225   70.233   18.509  164.093   18.903   93.100   14.671  149.823   9.3106 -56.72328 17.37569 
1 1 1  -40   10   60 o   87.257   10.579   62.854   11.783   40.781   16.093   88.365   17.301   67.247   17.494  107.266   11.902 -40.01881 21.15860 
1 1 1  -40   10   61 o   88.002   13.847   62.308   16.513   62.308   16.513   0.0000   0.0000   88.002   13.847  ?   ?       ?      ? 
1 1 1  -40   10   62 o   70.928   10.656   41.139   10.442   67.468   16.154   22.239   13.687   92.265   12.920   49.591   16.949 42.67421 21.31183 
1 1 1  -40   10   63 o   43.954   11.328   16.302   9.1065   10.023   13.378   21.723   12.431   38.688   15.897   49.221   16.142 -10.53265 22.65580 
1 1 1  -40   10   64 o   95.723   9.1643   73.409   11.833   82.526   17.131   65.089   16.366  102.041   12.388   89.406   13.508 12.63593 18.32853 
1 1 1  -40   10   65 o   66.570   11.454   40.666   10.407   48.966   14.604   32.103   14.834   75.390   14.823   57.751   17.467 17.63832 22.90875 
1 1 1  -40   10   66 o   44.481   11.765   18.080   9.5451   17.563   13.186   18.649   13.834   44.025   16.443   44.937   16.830 -0.9116402 23.52937 
1 1 1  -40   10   67 f   41.269   11.237   13.615   9.2376   6.0619   12.608   22.368   13.573   34.503   14.865   48.035   16.855 -13.53185 22.47312 
1 1 1  -40   10   68 o   97.930   13.219   80.223   17.543   0.0000   0.0000   80.223   17.543  ?   ?    97.930   13.219      ?      ? 
1 1 1  -40   10   69 o   31.933   14.417   1.8590   13.259   0.0000   0.0000   1.8590   13.259  ?   ?    31.933   14.417      ?      ? 
1 1 1  -40   10   70 o   81.878   15.596   62.299   16.673   0.0000   0.0000   62.299   16.673  ?   ?    81.878   15.596      ?      ? 
1 1 1  -40   10   71 o   61.810   17.771   40.817   15.679   0.0000   0.0000   40.817   15.679  ?   ?    61.810   17.771      ?      ? 
1 1 1  -40   10   72 o  103.343   13.580   94.792   19.018   0.0000   0.0000   94.792   19.018  ?   ?   103.343   13.580      ?      ? 
1 1 1  -40   11    1 o   89.015   8.6519   56.417   10.437   56.417   10.437   0.0000   0.0000   89.015   8.6519  ?   ?       ?      ? 
1 1 1  -40   11    2 o   97.227   8.2940   67.003   10.928   67.003   10.928   0.0000   0.0000   97.227   8.2940  ?   ?       ?      ? 
1 1 1  -40   11    3 o  112.354   7.8461   89.016   11.946   89.016   11.946   0.0000   0.0000  112.354   7.8461  ?   ?       ?      ? 
1 1 1  -40   11    4 o  165.557   7.2215  192.044   16.202  192.044   16.202   0.0000   0.0000  165.557   7.2215  ?   ?       ?      ? 
1 1 1  -40   11    5 o  109.148   7.9596   84.022   11.773   84.022   11.773   0.0000   0.0000  109.148   7.9596  ?   ?       ?      ? 
1 1 1  -40   11    6 o   31.588   12.578   4.8965   8.0821   4.8965   8.0821   0.0000   0.0000   31.588   12.578  ?   ?       ?      ? 
1 1 1  -40   11    7 o   92.708   8.5618   60.931   10.756   60.931   10.756   0.0000   0.0000   92.708   8.5618  ?   ?       ?      ? 
1 1 1  -40   11    8 o   66.669   10.428   32.163   9.4208   32.163   9.4208   0.0000   0.0000   66.669   10.428  ?   ?       ?      ? 
1 1 1  -40   11    9 f  108.938   8.0124   83.606   11.828   83.606   11.828   0.0000   0.0000  108.938   8.0124  ?   ?       ?      ? 
1 1 1  -40   11   10 o  117.463   7.9046   97.071   12.582   97.071   12.582   0.0000   0.0000  117.463   7.9046  ?   ?       ?      ? 
1 1 1  -40   11   11 o   49.492   12.846   18.911   8.6908   18.911   8.6908   0.0000   0.0000   49.492   12.846  ?   ?       ?      ? 
1 1 1  -40   11   12 o  134.580   7.4912  126.877   13.662  126.877   13.662   0.0000   0.0000  134.580   7.4912  ?   ?       ?      ? 
1 1 1  -40   11   13 o  138.893   7.5542  135.186   14.218  135.186   14.218   0.0000   0.0000  138.893   7.5542  ?   ?       ?      ? 
1 1 1  -40   11   14 o  160.022   7.3475  179.090   15.933  179.090   15.933   0.0000   0.0000  160.022   7.3475  ?   ?       ?      ? 
1 1 1  -40   11   15 o   99.103   8.4280   69.352   11.319   69.352   11.319   0.0000   0.0000   99.103   8.4280  ?   ?       ?      ? 
1 1 1  -40   11   16 o  138.272   7.4713  133.817   13.999  133.817   13.999   0.0000   0.0000  138.272   7.4713  ?   ?       ?      ? 
1 1 1  -40   11   17 o   88.717   5.9109   58.207   6.5747   64.263   8.1946   47.266   11.015   96.276   6.2809   81.159   10.015 15.11718 11.82176 
1 1 1  -40   11   18 o   67.497   6.4006   30.585   5.6687   25.554   7.0233   39.989   9.6018   60.114   8.6216   74.879   9.4626 -14.76503 12.80126 
1 1 1  -40   11   19 o   78.134   7.1058   42.591   7.5238   42.591   7.5238   0.0000   0.0000   78.134   7.1058  ?   ?       ?      ? 
1 1 1  -40   11   20 o   31.260   11.201   6.3481   6.0221   6.3481   6.0221   0.0000   0.0000   31.260   11.201  ?   ?       ?      ? 
1 1 1  -40   11   21 o   92.081   5.6976   59.240   6.7461   58.376   8.3036   60.919   11.570   91.625   6.6876   92.537   9.2264 -0.9120483 11.39519 
1 1 1  -40   11   22 o   74.847   6.5610   40.998   6.2525   43.726   7.8073   36.119   10.441   79.110   7.2826   70.583   10.916 8.526695 13.12195 
1 1 1  -40   11   23 o  101.025   5.4510   68.167   7.1372   60.704   8.7104   83.417   12.451   93.358   6.8849  108.693   8.4529 -15.33430 10.90205 
1 1 1  -40   11   24 o  132.818   5.2881  122.403   8.9408  120.353   10.885  126.654   15.674  131.838   6.0928  133.798   8.6448 -1.959961 10.57616 
1 1 1  -40   11   25 o  108.735   5.4902   80.803   7.7535   75.709   9.5536   90.633   13.271  104.301   6.7592  113.169   8.6534 -8.867920 10.98037 
1 1 1  -40   11   26 o  163.564   5.2057  186.075   10.812  184.104   13.153  190.183   18.988  163.124   5.9502  164.005   8.5436 -0.8808441 10.41139 
1 1 1  -40   11   27 o  138.044   7.0913  134.996   12.972  146.127   20.936  128.060   16.527  141.896   10.888  134.193   9.0883 7.703766 14.18253 
1 1 1  -40   11   28 o  126.771   7.2287  113.636   12.150  126.110   19.668  105.938   15.450  131.681   11.022  121.860   9.3561 9.820847 14.45745 
1 1 1  -40   11   29 o   42.689   9.6938   13.838   6.4194   15.855   8.7889   11.532   9.3985   45.336   13.384   40.042   14.027 5.293377 19.38752 
1 1 1  -40   11   30 o  120.447   6.0248  103.172   9.6962  106.041   12.817   99.332   14.826  122.887   7.6967  118.007   9.2711 4.880531 12.04961 
1 1 1  -40   11   31 o   97.972   6.6931   70.224   8.6476   80.432   11.633   57.618   12.928  106.838   8.0351   89.107   10.707 17.73110 13.38626 
1 1 1  -40   11   32 o   61.891   11.798   28.922   9.5339   28.922   9.5339   0.0000   0.0000   61.891   11.798  ?   ?       ?      ? 
1 1 1  -40   11   33 o   84.192   9.2517   50.625   10.556   50.625   10.556   0.0000   0.0000   84.192   9.2517  ?   ?       ?      ? 
1 1 1  -40   11   34 o   48.710   9.3366   18.826   6.7512   26.100   9.1828   10.268   9.9596   58.589   11.970   38.831   14.332 19.75841 18.67324 
1 1 1  -40   11   35 o  109.816   6.2345   83.574   9.1556   70.982   11.871  102.058   14.383   99.903   8.7687  119.729   8.8650 -19.82594 12.46906 
1 1 1  -40   11   36 f  169.129   5.7609  201.493   12.944  198.531   16.694  205.959   20.495  168.252   7.3219  170.005   8.8963 -1.753815 11.52189 
1 1 1  -40   11   37 o  109.342   6.2859   82.739   9.1761   68.995   11.863  103.206   14.477   98.365   8.9000  120.319   8.8791 -21.95393 12.57170 
1 1 1  -40   11   38 o   81.637   7.3263   47.614   8.0371   40.968   10.638   56.452   12.268   75.056   10.459   88.218   10.262 -13.16188 14.65261 
1 1 1  -40   11   39 f   99.523   6.6191   69.953   8.8461   62.631   11.597   80.141   13.680   93.521   9.1508  105.525   9.5664 -12.00486 13.23827 
1 1 1  -40   11   40 o   51.986   9.7428   21.686   7.0253   24.313   9.4351   18.416   10.524   55.938   12.733   48.034   14.750 7.904007 19.48569 
1 1 1  -40   11   41 o   53.635   14.563   23.161   10.857   0.0000   0.0000   23.161   10.857  ?   ?    53.635   14.563      ?      ? 
1 1 1  -40   11   42 f  116.976   7.3569   98.499   11.575  111.117   17.746   89.158   15.269  123.229   10.627  110.724   10.176 12.50476 14.71377 
1 1 1  -40   11   43 o   37.248   10.371   8.0760   7.5924   10.398   11.847   6.4575   9.8907   39.779   15.409   34.716   13.885 5.063053 20.74194 
1 1 1  -40   11   44 o   78.042   9.6059   49.678   9.4294   34.091   14.209   61.945   12.605   63.828   16.353   92.256   10.083 -28.42890 19.21180 
1 1 1  -40   11   45 o   44.292   10.932   15.218   8.0267   16.350   12.097   14.327   10.729   45.493   15.915   43.092   14.993 2.401020 21.86466 
1 1 1  -40   11   46 o   60.578   16.159   30.795   13.510   30.795   13.510   0.0000   0.0000   60.578   16.159  ?   ?       ?      ? 
1 1 1  -40   11   47 o   37.618   15.091   8.2435   11.722   8.2435   11.722   0.0000   0.0000   37.618   15.091  ?   ?       ?      ? 
1 1 1  -40   11   48 o   46.644   11.133   17.069   8.3553   22.331   12.791   13.152   11.035   51.524   16.329   41.764   15.136 9.760044 22.26519 
1 1 1  -40   11   49 o   45.674   11.040   16.381   8.2412   20.940   12.405   12.779   11.026   50.029   16.105   41.318   15.106 8.710812 22.08100 
1 1 1  -40   11   50 o   42.318   10.083   12.992   8.0289  -0.7108   12.422   22.824   10.522   31.800   14.186   52.835   14.332 -21.03468 20.16611 
1 1 1  -40   11   51 o   71.943   10.252   41.419   9.5542   46.201   14.815   38.015   12.501   75.047   15.091   68.840   13.880 6.207634 20.50307 
1 1 1  -40   11   52 o   41.972   10.377   12.787   8.1320   2.0910   12.128   21.525   10.961   33.095   14.417   50.849   14.928 -17.75333 20.75339 
1 1 1  -40   11   53 o   60.924   11.092   31.406   9.1477   32.260   14.004   30.771   12.081   60.970   16.533   60.877   14.790 0.9346771E-01 22.18330 
1 1 1  -40   11   54 o  106.256   8.3858   87.271   11.822   74.789   17.544   97.651   16.000   97.729   13.247  114.784   10.286 -17.05506 16.77158 
1 1 1  -40   11   55 o   65.070   15.252   35.735   13.214   0.0000   0.0000   35.735   13.214  ?   ?    65.070   15.252      ?      ? 
1 1 1  -40   11   56 o   29.054   9.2841  -2.4378   7.8988  -6.4478   11.466   1.1836   10.897   27.223   12.691   30.886   13.554 -3.663021 18.56823 
1 1 1  -40   11   57 o   71.316   10.756   43.415   10.060   39.358   14.791   46.907   13.722   66.854   16.441   75.778   13.874 -8.924004 21.51223 
1 1 1  -40   11   58 o   42.640   11.306   14.221   8.8488   19.506   13.462   10.199   11.742   47.044   16.758   38.235   15.181 8.808372 22.61178 
1 1 1  -40   11   59 o   36.926   10.778   8.3381   8.7643   6.9825   12.863   9.5129   11.974   36.238   15.291   37.615   15.195 -1.376804 21.55651 
1 1 1  -40   11   60 o   51.204   16.979   24.381   13.740   24.381   13.740   0.0000   0.0000   51.204   16.979  ?   ?       ?      ? 
1 1 1  -40   11   61 o   52.651   12.162   26.417   10.079   23.049   14.519   29.551   14.003   49.285   17.420   56.017   16.977 -6.731544 24.32403 
1 1 1  -40   11   62 o   63.142   11.898   37.273   10.384   40.787   14.988   34.028   14.401   66.330   16.688   59.954   16.964 6.375790 23.79631 
1 1 1  -40   11   63 o   74.534   11.125   49.956   10.888   46.323   15.413   53.576   15.382   70.941   16.366   78.127   15.075 -7.185974 22.25077 
1 1 1  -40   11   64 o   74.105   11.273   50.206   10.986   48.755   15.531   51.660   15.543   72.680   16.185   75.530   15.698 -2.849602 22.54692 
1 1 1  -40   11   65 o   59.752   11.410   34.624   10.343   19.608   14.493   50.210   14.766   44.727   17.117   74.777   15.092 -30.05010 22.82035 
1 1 1  -40   11   66 o   34.721   10.444   6.7251   8.9186   12.941   12.385   0.0294   12.854   38.848   15.537   30.595   13.962 8.253263 20.88891 
1 1 1  -40   11   67 o   51.820   17.353   28.477   14.343   0.0000   0.0000   28.477   14.343  ?   ?    51.820   17.353      ?      ? 
1 1 1  -40   11   68 o   59.045   17.376   36.897   14.835   0.0000   0.0000   36.897   14.835  ?   ?    59.045   17.376      ?      ? 
1 1 1  -40   11   69 o   37.923   15.797   13.078   13.461   0.0000   0.0000   13.078   13.461  ?   ?    37.923   15.797      ?      ? 
1 1 1  -40   12    1 o  119.664   11.220  106.264   18.194  106.264   18.194   0.0000   0.0000  119.664   11.220  ?   ?       ?      ? 
1 1 1  -40   12    2 o   95.320   11.882   68.062   15.348   68.062   15.348   0.0000   0.0000   95.320   11.882  ?   ?       ?      ? 
1 1 1  -40   12    3 o  102.102   11.842   77.961   16.385   77.961   16.385   0.0000   0.0000  102.102   11.842  ?   ?       ?      ? 
1 1 1  -40   12    4 o   71.701   14.856   41.398   13.960   41.398   13.960   0.0000   0.0000   71.701   14.856  ?   ?       ?      ? 
1 1 1  -40   12    5 o   58.721   15.462   28.369   12.474   28.369   12.474   0.0000   0.0000   58.721   15.462  ?   ?       ?      ? 
1 1 1  -40   12    6 o   57.275   15.644   27.063   12.485   27.063   12.485   0.0000   0.0000   57.275   15.644  ?   ?       ?      ? 
1 1 1  -40   12    7 o  113.770   11.047   95.321   17.031   95.321   17.031   0.0000   0.0000  113.770   11.047  ?   ?       ?      ? 
1 1 1  -40   12    8 o   54.841   15.773   24.791   12.350   24.791   12.350   0.0000   0.0000   54.841   15.773  ?   ?       ?      ? 
1 1 1  -40   12    9 o   39.931   15.112   10.878   11.217   10.878   11.217   0.0000   0.0000   39.931   15.112  ?   ?       ?      ? 
1 1 1  -40   12   10 o   55.793   15.678   25.568   12.345   25.568   12.345   0.0000   0.0000   55.793   15.678  ?   ?       ?      ? 
1 1 1  -40   12   11 o   44.630   15.434   15.404   11.361   15.404   11.361   0.0000   0.0000   44.630   15.434  ?   ?       ?      ? 
1 1 1  -40   12   12 o   66.158   14.655   34.981   12.792   34.981   12.792   0.0000   0.0000   66.158   14.655  ?   ?       ?      ? 
1 1 1  -40   12   13 o   54.125   15.462   23.886   11.905   23.886   11.905   0.0000   0.0000   54.125   15.462  ?   ?       ?      ? 
1 1 1  -40   12   14 o   81.902   12.621   50.380   14.007   50.380   14.007   0.0000   0.0000   81.902   12.621  ?   ?       ?      ? 
1 1 1  -40   12   15 o   80.876   12.553   49.057   13.758   49.057   13.758   0.0000   0.0000   80.876   12.553  ?   ?       ?      ? 
1 1 1  -40   12   16 o   74.263   13.959   43.167   13.532   43.167   13.532   0.0000   0.0000   74.263   13.959  ?   ?       ?      ? 
1 1 1  -40   12   17 o  154.914   10.280  174.197   21.581  174.197   21.581   0.0000   0.0000  154.914   10.280  ?   ?       ?      ? 
1 1 1  -40   12   18 o  108.956   11.153   87.173   16.468   87.173   16.468   0.0000   0.0000  108.956   11.153  ?   ?       ?      ? 
1 1 1  -40   12   19 o  125.551   11.304  115.984   19.233  115.984   19.233   0.0000   0.0000  125.551   11.304  ?   ?       ?      ? 
1 1 1  -40   12   20 o   62.614   16.403   32.455   14.085   32.455   14.085   0.0000   0.0000   62.614   16.403  ?   ?       ?      ? 
1 1 1  -40   12   21 o  103.040   12.491   79.486   17.441   79.486   17.441   0.0000   0.0000  103.040   12.491  ?   ?       ?      ? 
1 1 1  -40   12   22 f   96.799   13.035   70.752   17.099   70.752   17.099   0.0000   0.0000   96.799   13.035  ?   ?       ?      ? 
1 1 1  -40   12   23 o  153.964   7.1547  166.164   14.928  166.164   14.928   0.0000   0.0000  153.964   7.1547  ?   ?       ?      ? 
1 1 1  -40   12   24 o   60.107   8.5031   27.448   6.6650   25.801   9.0124   29.437   9.9018   58.180   11.834   62.034   12.214 -3.854214 17.00621 
1 1 1  -40   12   25 o   71.807   7.2032   36.851   6.9578   32.498   9.2089   42.643   10.621   66.954   10.149   76.660   10.224 -9.705223 14.40645 
1 1 1  -40   12   26 o   67.054   7.7425   32.392   6.7093   23.661   8.7974   44.529   10.373   55.541   12.036   78.568   9.7426 -23.02660 15.48497 
1 1 1  -40   12   27 o   55.478   10.331   26.215   7.9703   17.965   13.701   30.435   9.7989   47.688   16.915   63.267   11.865 -15.57960 20.66138 
1 1 1  -40   12   28 o   38.783   10.417   9.9592   7.3206   8.9983   12.697   10.438   8.9599   39.292   15.726   38.274   13.668 1.017525 20.83491 
1 1 1  -40   12   29 o   54.664   8.7499   23.742   6.6601   32.341   9.1027   13.837   9.7703   66.791   10.057   42.536   14.321 24.25523 17.49980 
1 1 1  -40   12   30 f   43.863   8.4848   12.768   6.1822   1.1484   8.3381   26.955   9.2130   28.307   12.140   59.418   11.857 -31.11156 16.96968 
1 1 1  -40   12   31 o   53.329   9.2920   22.430   6.6690   23.580   9.0676   21.075   9.8426   55.177   12.426   51.482   13.819 3.695499 18.58391 
1 1 1  -40   12   32 o   85.229   9.0877   52.090   10.496   52.090   10.496   0.0000   0.0000   85.229   9.0877  ?   ?       ?      ? 
1 1 1  -40   12   33 o  116.497   10.587   99.296   16.714   99.296   16.714   0.0000   0.0000  116.497   10.587  ?   ?       ?      ? 
1 1 1  -40   12   34 o   52.925   10.678   23.069   8.0950   19.961   12.195   25.517   10.823   49.434   15.974   56.416   14.175 -6.982388 21.35629 
1 1 1  -40   12   35 o   52.985   10.755   22.071   8.1570   29.828   12.709   16.637   10.637   60.221   15.486   45.748   14.928 14.47347 21.51008 
1 1 1  -40   12   36 o   68.842   9.8528   39.361   9.0356   21.847   13.199   54.805   12.395   51.221   16.625   86.463   10.579 -35.24226 19.70566 
1 1 1  -40   12   37 o  132.267   7.2140  126.248   12.853  141.489   19.517  114.576   17.080  139.096   10.354  125.438   10.048 13.65744 14.42807 
1 1 1  -40   12   38 o  103.674   7.8132   79.129   10.902   82.496   16.521   76.532   14.510  105.184   11.590  102.164   10.481 3.019470 15.62646 
1 1 1  -40   12   39 o  126.992   7.3575  119.481   12.470  107.641   18.637  129.079   16.779  120.230   11.438  133.755   9.2570 -13.52480 14.71497 
1 1 1  -40   12   40 f   72.312   9.8779   42.509   9.2089   34.486   14.270   48.235   12.055   63.918   16.395   80.706   11.023 -16.78712 19.75583 
1 1 1  -40   12   41 o   75.073   12.050   42.484   12.259   0.0000   0.0000   42.484   12.259  ?   ?    75.073   12.050      ?      ? 
1 1 1  -40   12   42 o  104.665   7.9981   82.819   11.071   74.367   16.967   89.085   14.610   98.716   12.684  110.613   9.7470 -11.89703 15.99617 
1 1 1  -40   12   43 o  178.406   7.1023  235.082   16.973  206.785   24.732  260.272   23.335  166.936   10.933  189.875   9.0690 -22.93948 14.20470 
1 1 1  -40   12   44 o   68.214   10.406   37.508   9.2393   41.098   14.343   34.962   12.080   70.460   15.447   65.967   13.949 4.493011 20.81297 
1 1 1  -40   12   45 o   46.737   10.281   17.562   8.2302   4.8624   12.429   27.480   10.983   35.340   14.978   58.133   14.089 -22.79350 20.56299 
1 1 1  -40   12   46 o   35.161   14.797   5.2241   11.993   5.2241   11.993   0.0000   0.0000   35.161   14.797  ?   ?       ?      ? 
1 1 1  -40   12   47 o   47.374   11.233   18.706   8.6564   14.510   12.458   22.622   12.037   43.146   16.008   51.602   15.762 -8.456039 22.46608 
1 1 1  -40   12   48 o   56.959   11.283   27.535   9.0696   32.532   13.533   23.460   12.220   61.566   16.054   52.352   15.858 9.214554 22.56583 
1 1 1  -40   12   49 o   59.655   11.420   30.992   9.5209   27.448   13.833   34.182   13.125   55.725   16.870   63.585   15.396 -7.859707 22.83928 
1 1 1  -40   12   50 o   64.524   11.403   35.865   9.9338   38.912   14.568   33.218   13.581   67.095   16.205   61.952   16.048 5.143162 22.80639 
1 1 1  -40   12   51 o   63.304   11.381   35.127   9.8788   29.767   14.221   40.126   13.733   57.557   17.034   69.050   15.097 -11.49287 22.76133 
1 1 1  -40   12   52 o   85.032   10.184   60.050   11.076   42.749   15.655   77.387   15.672   69.438   16.816  100.625   11.493 -31.18653 20.36837 
1 1 1  -40   12   53 o   43.191   11.413   15.102   9.1033   19.073   12.948   11.220   12.801   46.742   16.458   39.640   15.816 7.102257 22.82543 
1 1 1  -40   12   54 o   75.191   14.956   47.897   14.703   0.0000   0.0000   47.897   14.703  ?   ?    75.191   14.956      ?      ? 
1 1 1  -40   12   55 o   51.487   11.252   23.059   9.5632   10.570   13.367   36.152   13.687   39.057   15.951   63.917   15.874 -24.86020 22.50407 
1 1 1  -40   12   56 o   28.510   9.2684  -4.3297   8.3083   0.9478   11.926  -9.3060   11.581   31.299   13.936   25.722   12.223 5.577297 18.53690 
1 1 1  -40   12   57 o   52.521   11.649   25.500   9.2640   29.262   13.491   22.143   12.743   56.049   16.592   48.992   16.356 7.057266 23.29849 
1 1 1  -40   12   58 o   49.653   11.783   23.194   9.3474   25.280   13.648   21.350   12.829   51.443   16.915   47.862   16.409 3.580673 23.56674 
1 1 1  -40   12   59 o   61.910   16.785   36.366   14.436   36.366   14.436   0.0000   0.0000   61.910   16.785  ?   ?       ?      ? 
1 1 1  -40   12   60 o   51.422   17.053   26.118   13.860   26.118   13.860   0.0000   0.0000   51.422   17.053  ?   ?       ?      ? 
1 1 1  -40   12   61 o   83.492   10.472   62.221   11.503   25.673   15.408  108.237   17.289   49.633   17.901  117.352   10.872 -67.71857 20.94398 
1 1 1  -40   12   62 o   56.690   12.247   32.834   10.286   31.532   14.525   34.145   14.569   55.379   17.382   58.001   17.258 -2.622593 24.49452 
1 1 1  -40   12   63 o   68.103   11.468   45.297   10.667   34.359   15.054   56.328   15.118   57.065   17.660   79.142   14.635 -22.07682 22.93624 
1 1 1  -40   12   64 o   36.708   10.551   8.2365   9.0929  -3.8014   12.680   20.981   13.047   28.232   13.222   45.184   16.445 -16.95200 21.10115 
1 1 1  -40   12   65 o   47.219   11.683   23.121   9.8339   33.381   14.117   13.450   13.707   56.024   17.061   38.414   15.966 17.60978 23.36644 
1 1 1  -40   13    1 o   62.517   15.422   32.840   12.985   32.840   12.985   0.0000   0.0000   62.517   15.422  ?   ?       ?      ? 
1 1 1  -40   13    2 f   31.816   13.552   3.0225   10.264   3.0225   10.264   0.0000   0.0000   31.816   13.552  ?   ?       ?      ? 
1 1 1  -40   13    3 o   38.411   14.889   9.9454   11.067   9.9454   11.067   0.0000   0.0000   38.411   14.889  ?   ?       ?      ? 
1 1 1  -40   13    4 o   40.226   15.209   11.672   11.354   11.672   11.354   0.0000   0.0000   40.226   15.209  ?   ?       ?      ? 
1 1 1  -40   13    5 o   71.838   14.627   41.911   13.756   41.911   13.756   0.0000   0.0000   71.838   14.627  ?   ?       ?      ? 
1 1 1  -40   13    6 o   96.497   12.040   70.439   15.744   70.439   15.744   0.0000   0.0000   96.497   12.040  ?   ?       ?      ? 
1 1 1  -40   13    7 o   49.910   15.790   20.779   11.965   20.779   11.965   0.0000   0.0000   49.910   15.790  ?   ?       ?      ? 
1 1 1  -40   13    8 o   55.528   15.568   25.789   12.186   25.789   12.186   0.0000   0.0000   55.528   15.568  ?   ?       ?      ? 
1 1 1  -40   13    9 o   78.248   12.794   46.814   13.566   46.814   13.566   0.0000   0.0000   78.248   12.794  ?   ?       ?      ? 
1 1 1  -40   13   10 o   26.390   12.153  -5.0371   10.042  -5.0371   10.042   0.0000   0.0000   26.390   12.153  ?   ?       ?      ? 
1 1 1  -40   13   11 o   63.267   14.753   32.627   12.416   32.627   12.416   0.0000   0.0000   63.267   14.753  ?   ?       ?      ? 
1 1 1  -40   13   12 o   42.144   16.078   12.805   12.761   12.805   12.761   0.0000   0.0000   42.144   16.078  ?   ?       ?      ? 
1 1 1  -40   13   13 o   37.973   15.388   8.1586   12.323   8.1586   12.323   0.0000   0.0000   37.973   15.388  ?   ?       ?      ? 
1 1 1  -40   13   14 o   58.526   16.647   29.166   13.832   29.166   13.832   0.0000   0.0000   58.526   16.647  ?   ?       ?      ? 
1 1 1  -40   13   15 o  102.421   12.328   79.311   17.111   79.311   17.111   0.0000   0.0000  102.421   12.328  ?   ?       ?      ? 
1 1 1  -40   13   16 f   56.484   16.988   27.316   14.060   27.316   14.060   0.0000   0.0000   56.484   16.988  ?   ?       ?      ? 
1 1 1  -40   13   17 o   90.082   13.442   62.522   16.409   62.522   16.409   0.0000   0.0000   90.082   13.442  ?   ?       ?      ? 
1 1 1  -40   13   30 o   50.497   10.492   21.004   7.7228   18.071   11.223   23.641   10.644   47.089   15.332   53.905   14.326 -6.816360 20.98345 
1 1 1  -40   13   31 o   89.413   8.1937   61.246   9.6166   48.698   14.240   71.767   13.039   79.502   13.217   99.324   9.6875 -19.82188 16.38741 
1 1 1  -40   13   32 o   66.027   15.024   35.759   13.140   35.759   13.140   0.0000   0.0000   66.027   15.024  ?   ?       ?      ? 
1 1 1  -40   13   33 o   37.199   15.103   7.7522   11.895   7.7522   11.895   0.0000   0.0000   37.199   15.103  ?   ?       ?      ? 
1 1 1  -40   13   34 o  107.595   7.6405   86.368   11.020   80.271   16.394   91.393   14.884  103.301   11.711  111.889   9.8166 -8.587692 15.28097 
1 1 1  -40   13   35 o   65.056   10.396   34.880   8.8832   32.759   13.639   36.442   11.707   62.187   16.070   67.924   13.194 -5.736561 20.79191 
1 1 1  -40   13   36 o   43.459   10.206   14.818   7.8164   4.2968   12.149   22.249   10.210   34.696   14.760   52.222   14.099 -17.52600 20.41169 
1 1 1  -40   13   37 o   36.194   10.091   7.9176   7.4433   3.8025   11.372   11.002   9.8451   33.571   14.281   38.817   14.262 -5.245258 20.18288 
1 1 1  -40   13   38 o   45.332   10.950   16.817   8.0919   15.297   12.317   17.970   10.733   43.938   15.981   46.725   14.974 -2.786736 21.90000 
1 1 1  -40   13   39 o   73.248   9.7436   42.822   9.2752   45.023   13.900   41.055   12.453   74.566   14.276   71.931   13.264 2.635147 19.48723 
1 1 1  -40   13   40 o   53.255   15.073   23.829   11.368   0.0000   0.0000   23.829   11.368  ?   ?    53.255   15.073      ?      ? 
1 1 1  -40   13   41 o   84.230   9.4256   57.770   9.9866   41.827   14.728   71.339   13.587   70.257   15.847   98.204   10.210 -27.94672 18.85120 
1 1 1  -40   13   42 o   56.693   10.747   27.697   8.5489   22.623   12.862   31.711   11.442   51.042   16.396   62.345   13.898 -11.30247 21.49346 
1 1 1  -40   13   43 o   83.727   9.5483   57.646   10.019   39.123   14.557   74.316   13.810   67.356   16.156  100.097   10.181 -32.74109 19.09662 
1 1 1  -40   13   44 o   27.928   9.0076  -3.1176   7.4974  -4.3643   11.524  -2.2026   9.8728   28.363   13.046   27.493   12.424 0.8703861 18.01522 
1 1 1  -40   13   45 o   83.213   13.374   54.914   15.082   54.914   15.082   0.0000   0.0000   83.213   13.374  ?   ?       ?      ? 
1 1 1  -40   13   46 o   61.946   16.951   34.534   14.642   34.534   14.642   0.0000   0.0000   61.946   16.951  ?   ?       ?      ? 
1 1 1  -40   13   47 o   56.637   11.282   28.107   8.9629   30.174   13.665   26.546   11.874   57.959   16.568   55.315   15.317 2.643986 22.56332 
1 1 1  -40   13   48 o   53.655   11.322   25.907   9.0098   21.424   13.297   29.712   12.250   48.826   16.706   58.485   15.286 -9.658936 22.64446 
1 1 1  -40   13   49 o   33.332   9.9091   3.5597   8.1861  -6.1361   12.370   11.115   10.919   28.178   13.151   38.486   14.826 -10.30786 19.81823 
1 1 1  -40   13   50 o   82.928   10.053   59.237   10.489   38.954   15.271   77.354   14.433   64.941   17.112  100.915   10.554 -35.97426 20.10508 
1 1 1  -40   13   51 o   46.932   10.930   19.255   8.9005   8.3800   13.039   28.743   12.179   37.017   15.495   56.847   15.419 -19.83008 21.85970 
1 1 1  -40   13   52 o   41.905   11.116   14.707   8.7435   10.081   12.575   19.035   12.165   37.885   15.472   45.925   15.966 -8.040344 22.23265 
1 1 1  -40   13   53 o   36.909   15.102   9.4050   12.010   0.0000   0.0000   9.4050   12.010  ?   ?    36.909   15.102      ?      ? 
1 1 1  -40   13   54 o   60.385   16.075   33.767   13.387   0.0000   0.0000   33.767   13.387  ?   ?    60.385   16.075      ?      ? 
1 1 1  -40   13   55 o   57.815   11.686   32.141   9.8602   25.092   13.934   39.210   13.955   50.421   17.102   65.209   15.929 -14.78799 23.37119 
1 1 1  -40   13   56 o   42.660   11.354   16.569   9.1058   12.048   12.983   20.946   12.775   38.719   15.756   46.601   16.352 -7.882355 22.70774 
1 1 1  -40   13   57 o   31.796   9.9769   2.2081   8.7966  -3.7979   12.816   7.5580   12.096   28.819   13.429   34.772   14.758 -5.952675 19.95386 
1 1 1  -40   13   58 o   52.677   10.661   25.312   10.089   47.446   14.318   3.4867   14.218   72.015   15.151   33.338   15.001 38.67646 21.32110 
1 1 1  -40   13   59 o   51.784   17.342   28.475   14.326   28.475   14.326   0.0000   0.0000   51.784   17.342  ?   ?       ?      ? 
1 1 1  -40   13   60 o   39.409   11.190   13.582   9.5942   5.4633   13.694   21.409   13.446   33.578   14.943   45.240   16.660 -11.66224 22.38000 
1 1 1  -40   13   61 o   37.366   10.856   10.628   9.3954   1.0338   13.140   20.665   13.440   30.608   14.024   44.125   16.576 -13.51695 21.71297 
1 1 1  -40   14   37 o   83.343   13.504   55.452   15.252   55.452   15.252   0.0000   0.0000   83.343   13.504  ?   ?       ?      ? 
1 1 1  -40   14   38 o   72.189   10.286   43.127   9.6776   48.110   14.523   39.147   12.979   75.911   14.648   68.467   14.443 7.443932 20.57151 
1 1 1  -40   14   39 o   74.535   12.339   43.436   12.463   0.0000   0.0000   43.436   12.463  ?   ?    74.535   12.339      ?      ? 
1 1 1  -40   14   40 f   27.765   12.473  -1.2329   9.7834   0.0000   0.0000  -1.2329   9.7834  ?   ?    27.765   12.473      ?      ? 
1 1 1  -40   14   41 o   45.927   10.909   18.206   8.0037   20.043   11.794   16.638   10.897   47.691   15.727   44.162   15.123 3.528652 21.81856 
1 1 1  -40   14   42 o   41.285   10.458   13.840   7.7540   8.0900   11.424   18.752   10.559   36.023   14.733   46.546   14.845 -10.52292 20.91521 
1 1 1  -40   14   43 o   50.353   10.378   22.432   8.6619   8.0807   12.874   34.302   11.708   36.806   15.401   63.901   13.915 -27.09461 20.75584 
1 1 1  -40   14   44 o   47.839   10.820   18.933   8.5934   31.409   12.832   8.7874   11.571   59.199   15.728   36.478   14.863 22.72105 21.64007 
1 1 1  -40   14   45 o   36.437   14.996   8.6303   11.928   8.6303   11.928   0.0000   0.0000   36.437   14.996  ?   ?       ?      ? 
1 1 1  -40   14   46 o   56.175   10.733   27.875   9.0220   42.055   13.235   15.568   12.331   69.975   14.437   42.374   15.886 27.60070 21.46569 
1 1 1  -40   14   47 o   73.895   10.357   47.455   10.123   34.687   14.147   60.851   14.490   60.669   16.686   87.120   12.274 -26.45035 20.71424 
1 1 1  -40   14   48 o   46.382   11.464   19.780   9.1564   13.572   12.796   26.294   13.108   40.317   15.898   52.448   16.521 -12.13124 22.92791 
1 1 1  -40   14   49 f   55.586   11.231   29.232   9.8105   15.511   13.848   43.058   13.901   41.841   16.526   69.330   15.213 -27.48886 22.46259 
1 1 1  -40   14   50 o   38.620   10.840   9.3079   9.1717   22.211   13.612  -1.4220   12.413   47.489   16.858   29.752   13.631 17.73710 21.67951 
1 1 1  -40   14   51 o   63.215   11.505   38.784   10.193   29.712   14.607   47.393   14.230   53.775   17.491   72.656   14.951 -18.88083 23.01046 
1 1 1  -40   14   52 o   62.479   16.362   37.768   14.017   0.0000   0.0000   37.768   14.017  ?   ?    62.479   16.362      ?      ? 
1 1 1  -40   14   53 f   35.477   14.976   8.8557   12.346   0.0000   0.0000   8.8557   12.346  ?   ?    35.477   14.976      ?      ? 
1 1 1  -40   14   54 o   40.519   11.216   15.463   9.0699   12.123   13.201   18.449   12.483   37.876   15.699   43.162   16.022 -5.286896 22.43189 
1 1 1  -40   14   55 o   31.260   9.7400   1.2323   8.6164  -9.4765   12.222   11.815   12.149   25.370   12.191   37.149   15.194 -11.77930 19.47991 
1 1 1  -40   14   56 o   25.635   8.6363  -9.7017   8.4921 -19.6788   11.916   0.5957   12.106   21.696   10.753   29.574   13.517 -7.877953 17.27265 
1 1 1  -40   15   46 o   32.129   10.069   3.7934   8.7205   5.2479   12.319   2.3324   12.346   32.999   14.448   31.259   14.029 1.740448 20.13901 
1 1 1  -40   15   47 o   49.326   11.508   24.947   9.3147   18.130   13.579   31.006   12.801   42.633   16.502   56.019   16.043 -13.38629 23.01556 
1 1 1  -40   15   48 o   45.852   10.948   20.577   9.0147   9.1424   13.054   31.000   12.464   35.555   15.217   56.149   15.744 -20.59419 21.89622 
1 1 1  -40   15   49 o   43.150   11.378   18.988   8.8867   19.460   13.469   18.625   11.826   43.216   16.511   43.083   15.661 0.1325722 22.75638 
1 1 1  -40   15   50 o   41.200   9.4801   9.6796   8.7185 -16.0878   12.559   33.647   12.113   23.383   11.483   59.018   15.087 -35.63511 18.96017 
1 1 1  -39    0    1 o  179.932   6.5107  221.086   15.828   0.0000   0.0000  221.086   15.828  179.932   6.5107  179.932   6.5107 -0.000000 0.000000 
1 1 1  -39    0    2 o   90.531   7.8939   57.091   9.5150   0.0000   0.0000   57.091   9.5150   90.531   7.8939   90.531   7.8939 -0.000000 0.000000 
1 1 1  -39    0    3 o  152.321   6.6887  158.729   13.746   0.0000   0.0000  158.729   13.746  152.321   6.6887  152.321   6.6887 -0.000000 0.000000 
1 1 1  -39    0    4 f  188.092   6.6067  241.496   16.793   0.0000   0.0000  241.496   16.793  188.092   6.6067  188.092   6.6067 -0.000000 0.000000 
1 1 1  -39    0    5 o  148.238   6.7635  150.386   13.522   0.0000   0.0000  150.386   13.522  148.238   6.7635  148.238   6.7635 -0.000000 0.000000 
1 1 1  -39    0    6 o  222.889   6.7006  338.764   20.197   0.0000   0.0000  338.764   20.197  222.889   6.7006  222.889   6.7006 -0.000000 0.000000 
1 1 1  -39    0    7 o  183.523   6.7034  229.944   16.621   0.0000   0.0000  229.944   16.621  183.523   6.7034  183.523   6.7034 -0.000000 0.000000 
1 1 1  -39    0    8 o  220.894   6.7831  332.750   20.261   0.0000   0.0000  332.750   20.261  220.894   6.7831  220.894   6.7831 -0.000000 0.000000 
1 1 1  -39    0    9 o  488.592   9.2239  1629.95   61.023   0.0000   0.0000  1629.95   61.023  488.592   9.2239  488.592   9.2239 -0.000000 0.000000 
1 1 1  -39    0   10 o  472.710   9.0383  1525.21   57.851   0.0000   0.0000  1525.21   57.851  472.710   9.0383  472.710   9.0383 -0.000000 0.000000 
1 1 1  -39    0   11 o  316.321   7.3937  681.879   31.654   0.0000   0.0000  681.879   31.654  316.321   7.3937  316.321   7.3937 -0.000000 0.000000 
1 1 1  -39    0   12 o  231.008   10.015  366.311   31.218   0.0000   0.0000  366.311   31.218  231.008   10.015  231.008   10.015 -0.000000 0.000000 
1 1 1  -39    0   13 o  316.363   10.670  686.154   45.625   0.0000   0.0000  686.154   45.625  316.363   10.670  316.363   10.670 -0.000000 0.000000 
1 1 1  -39    0   14 o  200.779   9.8792  277.058   26.731   0.0000   0.0000  277.058   26.731  200.779   9.8792  200.779   9.8792 -0.000000 0.000000 
1 1 1  -39    0   15 o  229.998   9.9895  363.036   31.001   0.0000   0.0000  363.036   31.001  229.998   9.9895  229.998   9.9895 -0.000000 0.000000 
1 1 1  -39    0   16 o  106.009   8.1546   77.844   11.555   0.0000   0.0000   77.844   11.555  106.009   8.1546  106.009   8.1546 -0.000000 0.000000 
1 1 1  -39    0   17 o   76.487   9.9338   41.859   9.8170   0.0000   0.0000   41.859   9.8170   76.487   9.9338   76.487   9.9338 -0.000000 0.000000 
1 1 1  -39    0   18 o  177.709   6.9187  215.682   16.604   0.0000   0.0000  215.682   16.604  177.709   6.9187  177.709   6.9187 -0.000000 0.000000 
1 1 1  -39    0   19 o  187.897   6.9378  241.017   17.611   0.0000   0.0000  241.017   17.611  187.897   6.9378  187.897   6.9378 -0.000000 0.000000 
1 1 1  -39    0   21 f  180.925   6.6677  225.186   16.226  229.528   22.540  220.515   23.377  182.827   9.1500  179.024   9.7010 -0.000000 0.000000 
1 1 1  -39    0   22 o   38.913   13.199   15.254   7.9352   14.461   10.363   16.379   12.338   37.785   17.868   40.041   19.431 -0.000000 0.000000 
1 1 1  -39    0   23 o  107.138   8.0481   82.420   11.062   93.796   15.122   69.326   16.224  116.052   9.7750   98.223   12.788 -0.000000 0.000000 
1 1 1  -39    0   24 o  223.324   6.7964  341.759   20.468  334.441   28.320  349.762   29.614  220.839   9.5033  225.808   9.7187 -0.000000 0.000000 
1 1 1  -39    0   26 o  355.535   7.8669  864.895   37.775  918.154   54.886  816.962   52.069  365.954   11.091  345.116   11.160 -0.000000 0.000000 
1 1 1  -39    0   28 o  316.920   7.4528  687.297   31.899  657.665   44.028  720.039   46.281  309.727   10.517  324.113   10.562 -0.000000 0.000000 
1 1 1  -39    0   29 o  485.700   9.2637  1622.77   60.870  1643.62   86.514  1602.34   85.658  488.805   13.082  482.594   13.120 -0.000000 0.000000 
1 1 1  -39    0   30 o  511.965   9.6403  1804.73   66.762  1840.61   95.584  1770.56   93.290  516.922   13.667  507.009   13.600 -0.000000 0.000000 
1 1 1  -39    0   31 f  225.554   9.9195  349.375   30.186   0.0000   0.0000  349.375   30.186  225.554   9.9195  225.554   9.9195 -0.000000 0.000000 
1 1 1  -39    0   32 o  182.489   9.9622  229.440   24.468   0.0000   0.0000  229.440   24.468  182.489   9.9622  182.489   9.9622 -0.000000 0.000000 
1 1 1  -39    0   33 o  222.811   6.9824  341.034   20.988  342.221   29.711  339.850   29.653  223.204   9.8665  222.419   9.8827 -0.000000 0.000000 
1 1 1  -39    0   34 o  122.353   7.7311  104.876   12.563   98.601   17.698  111.251   17.838  118.457   11.258  126.249   10.598 -0.000000 0.000000 
1 1 1  -39    0   35 o  181.981   6.9779  228.251   17.082  218.682   24.069  237.962   24.248  178.048   10.049  185.914   9.6844 -0.000000 0.000000 
1 1 1  -39    0   36 o  166.153   7.0735  190.511   15.786  196.934   22.776  184.574   21.899  168.864   10.034  163.442   9.9726 -0.000000 0.000000 
1 1 1  -39    0   37 o   71.271   12.289   40.674   10.282   43.126   14.705   38.330   14.381   74.043   16.811   68.500   17.930 -0.000000 0.000000 
1 1 1  -39    0   38 o  190.513   7.0701  249.895   18.127  260.540   26.175  240.085   25.127  194.440   9.9940  186.587   10.003 -0.000000 0.000000 
1 1 1  -39    0   39 o  245.406   10.272  414.283   34.025  414.283   34.025   0.0000   0.0000  245.406   10.272  245.406   10.272 -0.000000 0.000000 
1 1 1  -39    0   40 o   80.756   16.938   50.562   16.326   50.562   16.326   0.0000   0.0000   80.756   16.938   80.756   16.938 -0.000000 0.000000 
1 1 1  -39    0   41 f  267.530   7.3436  492.513   26.526  481.939   37.573  503.021   37.456  264.603   10.516  270.457   10.253 -0.000000 0.000000 
1 1 1  -39    0   42 o  352.728   7.9769  856.289   38.025  874.491   54.747  839.323   52.854  356.316   11.364  349.140   11.197 -0.000000 0.000000 
1 1 1  -39    0   43 o  306.237   7.5811  645.355   31.360  655.943   45.140  635.477   43.601  308.626   10.823  303.848   10.618 -0.000000 0.000000 
1 1 1  -39    0   44 o  151.349   7.5255  157.874   15.147  185.750   22.604  135.156   20.406  163.660   10.285  139.038   10.988 -0.000000 0.000000 
1 1 1  -39    0   45 o  105.634   8.8366   79.285   12.078   85.322   18.577   74.865   15.897  108.940   13.083  102.328   11.882 -0.000000 0.000000 
1 1 1  -39    0   46 o  148.291   7.5728  154.241   14.924  143.096   21.868  163.956   20.418  142.865   11.466  153.717   9.8961 -0.000000 0.000000 
1 1 1  -39    0   47 o  165.979   7.4105  191.392   16.440  191.893   24.437  190.977   22.220  165.980   10.975  165.977   9.9610 -0.000000 0.000000 
1 1 1  -39    0   48 o  263.220   7.3902  476.043   26.196  511.592   38.817  446.315   35.498  272.188   10.560  254.251   10.342 -0.000000 0.000000 
1 1 1  -39    0   49 o  154.731   7.5265  166.290   15.558  175.232   23.171  158.950   20.994  158.441   10.911  151.020   10.371 -0.000000 0.000000 
1 1 1  -39    0   50 o  186.998   7.2765  242.726   18.247  241.629   26.902  243.662   24.833  186.411   10.731  187.585   9.8304 -0.000000 0.000000 
1 1 1  -39    0   51 o  290.741   10.391  584.211   40.820   0.0000   0.0000  584.211   40.820  290.741   10.391  290.741   10.391 -0.000000 0.000000 
1 1 1  -39    0   52 o  266.495   10.218  491.208   36.777   0.0000   0.0000  491.208   36.777  266.495   10.218  266.495   10.218 -0.000000 0.000000 
1 1 1  -39    0   53 f  190.388   7.3553  251.418   18.785  260.613   27.906  243.798   25.404  193.436   10.721  187.340   10.073 -0.000000 0.000000 
1 1 1  -39    0   54 o  120.662   8.6179  106.193   13.308   88.449   19.772  120.890   17.994  110.092   13.847  131.232   10.262 -0.000000 0.000000 
1 1 1  -39    0   55 o   81.787   11.888   54.101   11.119   45.231   17.257   60.396   14.539   72.753   20.234   90.820   12.484 -0.000000 0.000000 
1 1 1  -39    0   56 o  184.810   7.4131  239.040   18.317  232.337   27.182  244.615   24.791  182.074   11.112  187.546   9.8158 -0.000000 0.000000 
1 1 1  -39    0   57 o   32.142   12.918   10.178   8.7177   8.6350   13.882   11.183   11.202   31.452   18.682   32.831   17.847 -0.000000 0.000000 
1 1 1  -39    0   58 o   48.816   21.738   25.103   15.239   25.103   15.239   0.0000   0.0000   48.816   21.738   48.816   21.738 -0.000000 0.000000 
1 1 1  -39    0   59 o   65.644   19.805   38.087   15.364   38.087   15.364   0.0000   0.0000   65.644   19.805   65.644   19.805 -0.000000 0.000000 
1 1 1  -39    0   60 o   89.927   10.071   61.700   10.990   56.179   16.748   65.876   14.564   84.758   16.331   95.097   11.789 -0.000000 0.000000 
1 1 1  -39    0   61 o   67.145   12.676   37.898   9.8042   39.546   15.537   36.808   12.638   67.040   19.685   67.251   15.977 -0.000000 0.000000 
1 1 1  -39    0   62 o   74.839   12.078   44.015   10.523   57.301   16.768   35.382   13.517   85.592   16.129   64.086   17.982 -0.000000 0.000000 
1 1 1  -39    0   63 o   20.064   9.7359  -6.6803   8.4337 -11.0183   13.764  -4.0723   10.672   20.178   14.050   19.950   13.481 -0.000000 0.000000 
1 1 1  -39    0   64 o  141.363   7.9294  142.586   14.785  142.999   22.699  142.283   19.485  140.966   12.087  141.761   10.267 -0.000000 0.000000 
1 1 1  -39    0   65 o  144.896   7.9678  153.211   15.009  126.465   22.277  175.445   20.311  131.829   12.743  157.962   9.5687 -0.000000 0.000000 
1 1 1  -39    0   66 o  141.085   7.8431  142.173   14.654  143.663   22.227  141.027   19.490  141.263   11.800  140.907   10.335 -0.000000 0.000000 
1 1 1  -39    0   67 o   72.555   16.050   42.741   13.799   0.0000   0.0000   42.741   13.799   72.555   16.050   72.555   16.050 -0.000000 0.000000 
1 1 1  -39    0   68 o   93.197   12.252   64.503   14.731   0.0000   0.0000   64.503   14.731   93.197   12.252   93.197   12.252 -0.000000 0.000000 
1 1 1  -39    0   69 o  116.039   10.819   97.131   16.673   0.0000   0.0000   97.131   16.673  116.039   10.819  116.039   10.819 -0.000000 0.000000 
1 1 1  -39    0   70 o   24.616   15.395   3.7109   10.557   0.0000   0.0000   3.7109   10.557   24.616   15.395   24.616   15.395 -0.000000 0.000000 
1 1 1  -39    0   71 o   36.994   18.558   15.395   11.413   0.0000   0.0000   15.395   11.413   36.994   18.558   36.994   18.558 -0.000000 0.000000 
1 1 1  -39    0   72 o   39.472   19.150   17.538   11.983   0.0000   0.0000   17.538   11.983   39.472   19.150   39.472   19.150 -0.000000 0.000000 
1 1 1  -39    1    1 o  294.633   4.9938  593.701   19.936  593.108   28.396  594.278   27.996  294.467   7.1162  294.799   7.0079 -0.3322449 9.987500 
1 1 1  -39    1    2 o  334.763   6.4944  774.253   27.726  761.199   47.901  780.831   34.001  331.753   10.655  337.772   7.4282 -6.019348 12.98871 
1 1 1  -39    1    3 o  203.831   9.3409  285.884   25.801  285.884   25.801   0.0000   0.0000  203.831   9.3409  ?   ?       ?      ? 
1 1 1  -39    1    4 o  163.735   5.6712  179.610   11.851  195.756   20.963  172.026   14.367  168.745   9.1672  158.724   6.6794 10.02103 11.34250 
1 1 1  -39    1    5 o  159.357   6.6813  174.725   14.424  171.126   20.488  178.262   20.310  157.694   9.5875  161.020   9.3079 -3.325516 13.36254 
1 1 1  -39    1    6 o  168.663   6.6507  195.538   15.199  199.322   21.692  191.889   21.303  170.266   9.4012  167.059   9.4097 3.207077 13.30134 
1 1 1  -39    1    7 o  189.594   6.6313  247.004   16.996  224.779   23.743  270.363   24.341  180.757   9.6930  198.432   9.0521 -17.67477 13.26255 
1 1 1  -39    1    8 o  107.678   6.4934   79.249   8.9745   78.459   11.024   80.801   15.452  107.114   7.5950  108.243   10.534 -1.129608 12.98681 
1 1 1  -39    1    9 o  193.527   4.7246  255.585   12.388  253.476   17.632  257.641   17.410  192.724   6.7513  194.330   6.6110 -1.605545 9.449105 
1 1 1  -39    1   10 o  171.467   4.7726  200.712   11.081  191.634   15.662  209.810   15.680  167.556   6.8979  175.377   6.5976 -7.820862 9.545110 
1 1 1  -39    1   11 o  169.691   4.7932  196.521   11.019  192.010   15.610  201.003   15.558  167.734   6.8674  171.649   6.6885 -3.914536 9.586304 
1 1 1  -39    1   12 o  249.794   4.8935  425.786   16.563  430.629   23.613  421.096   23.239  251.188   6.9369  248.400   6.9038 2.787308 9.786930 
1 1 1  -39    1   13 o  328.524   5.3202  737.154   23.680  753.896   33.935  721.267   33.058  332.153   7.5392  324.896   7.5085 7.256256 10.64035 
1 1 1  -39    1   14 o  282.983   5.0756  546.645   19.462  553.157   27.784  540.372   27.269  284.630   7.2033  281.336   7.1526 3.293488 10.15121 
1 1 1  -39    1   15 o  214.522   4.8639  313.980   14.139  309.291   19.939  318.722   20.052  212.904   6.9109  216.139   6.8461 -3.235504 9.727730 
1 1 1  -39    1   16 o  242.983   4.9438  402.876   16.276  393.524   22.917  412.395   23.121  240.125   7.0426  245.840   6.9403 -5.715576 9.887623 
1 1 1  -39    1   17 o  257.981   5.0315  453.671   17.577  476.934   25.365  432.178   24.380  264.344   7.0807  251.618   7.1502 12.72662 10.06291 
1 1 1  -39    1   18 o  262.363   7.2235  469.940   25.682  469.940   25.682   0.0000   0.0000  262.363   7.2235  ?   ?       ?      ? 
1 1 1  -39    1   19 o  213.378   5.5862  309.897   16.153  309.897   16.153   0.0000   0.0000  213.378   5.5862  ?   ?       ?      ? 
1 1 1  -39    1   20 o  218.742   5.5998  327.769   14.356  328.390   16.583  325.911   28.679  219.655   5.5712  217.829   9.7155 1.826340 11.19955 
1 1 1  -39    1   21 o  264.638   5.6554  470.072   17.696  461.031   20.428  497.255   35.421  260.214   5.7930  269.062   9.7146 -8.847473 11.31076 
1 1 1  -39    1   22 o  261.527   6.8743  469.761   24.354  467.518   33.970  472.132   34.936  260.926   9.6071  262.127   9.8350 -1.200806 13.74853 
1 1 1  -39    1   23 o  252.630   4.8887  434.904   16.725  451.500   24.197  419.722   23.143  257.232   6.9417  248.028   6.8854 9.203522 9.777320 
1 1 1  -39    1   24 f  213.200   4.7342  309.997   13.677  311.616   19.490  308.426   19.197  213.741   6.7288  212.659   6.6613 1.082703 9.468410 
1 1 1  -39    1   25 o  289.889   5.0445  573.700   19.816  574.313   28.105  573.094   27.945  290.038   7.1507  289.740   7.1173 0.2978210 10.08901 
1 1 1  -39    1   26 o  334.343   5.3345  763.883   24.170  761.516   34.174  766.251   34.188  333.821   7.5544  334.865   7.5339 -1.044037 10.66901 
1 1 1  -39    1   27 o  248.736   6.0363  425.694   19.199  429.575   23.604  418.106   33.004  250.879   6.9429  246.594   9.8764 4.284729 12.07254 
1 1 1  -39    1   28 o  164.358   6.1678  191.481   12.804  204.675   15.834  166.555   21.764  173.199   6.7464  155.518   10.327 17.68146 12.33552 
1 1 1  -39    1   29 o  179.786   5.9626  224.645   13.651  231.322   16.809  211.711   23.396  184.122   6.7368  175.449   9.8401 8.672699 11.92523 
1 1 1  -39    1   30 o  186.557   4.8183  237.544   12.181  236.659   17.222  238.432   17.232  186.206   6.8249  186.907   6.8032 -0.7004852 9.636560 
1 1 1  -39    1   31 o  106.198   5.6417   77.298   8.0920   69.643   11.379   85.130   11.510  100.823   8.3285  111.572   7.6125 -10.74879 11.28335 
1 1 1  -39    1   32 o  215.365   6.9134  318.940   20.160  301.226   28.133  337.637   28.903  209.172   9.9250  221.557   9.6266 -12.38542 13.82673 
1 1 1  -39    1   33 o  181.722   6.0150  226.499   13.912  226.288   24.240  226.603   16.988  181.285   9.8671  182.159   6.8819 -0.8739319 12.02997 
1 1 1  -39    1   34 o  163.799   6.1647  188.603   12.774  171.082   21.925  197.607   15.717  157.494   10.273  170.104   6.8181 -12.61024 12.32946 
1 1 1  -39    1   35 o  168.559   5.0177  194.401   11.449  186.467   16.325  202.081   16.061  165.129   7.2951  171.989   6.8913 -6.859589 10.03540 
1 1 1  -39    1   36 o  199.558   5.9862  267.941   15.217  288.914   26.951  258.126   18.438  204.780   9.7120  194.335   7.0011 10.44516 11.97241 
1 1 1  -39    1   37 o  344.568   6.7917  819.191   29.825  814.446   51.737  821.553   36.500  342.836   11.136  346.300   7.7779 -3.464294 13.58341 
1 1 1  -39    1   38 o  303.073   5.2813  628.928   21.687  626.420   30.915  631.358   30.430  302.447   7.5430  303.699   7.3939 -1.252533 10.56254 
1 1 1  -39    1   39 o  109.612   5.7168   82.351   8.4870   85.047   12.255   79.867   11.764  111.327   8.1235  107.896   8.0460 3.430817 11.43370 
1 1 1  -39    1   40 o  188.159   5.0237  242.296   12.809  242.517   18.224  242.081   18.006  188.234   7.1445  188.085   7.0644 0.1482697 10.04741 
1 1 1  -39    1   41 o  202.675   6.2064  275.865   15.952  263.927   19.221  302.280   28.592  196.312   7.2252  209.038   10.093 -12.72617 12.41280 
1 1 1  -39    1   42 o   71.970   9.5779   31.985   8.6808   21.588   10.365   56.403   15.885   54.316   13.995   89.623   13.080 -35.30752 19.15578 
1 1 1  -39    1   43 o  109.206   5.8788   82.074   8.6942   80.709   12.458   83.371   12.139  108.285   8.4898  110.127   8.1342 -1.842018 11.75763 
1 1 1  -39    1   44 o  172.447   5.0571  203.469   11.805  217.035   17.081  191.064   16.333  177.959   7.0829  166.936   7.2201 11.02328 10.11418 
1 1 1  -39    1   45 o  236.174   5.0493  382.407   16.148  362.778   22.642  402.729   23.038  229.958   7.2657  242.391   7.0135 -12.43358 10.09851 
1 1 1  -39    1   46 o  140.574   5.3196  135.696   10.127  137.431   14.622  134.098   14.039  141.409   7.6305  139.739   7.4139 1.670197 10.63913 
1 1 1  -39    1   47 o  188.058   5.0766  242.610   12.932  248.842   18.628  236.813   17.966  190.373   7.2208  185.743   7.1378 4.630600 10.15322 
1 1 1  -39    1   48 o  259.547   5.1583  462.978   18.141  456.200   25.705  469.705   25.606  257.621   7.3629  261.474   7.2264 -3.853912 10.31664 
1 1 1  -39    1   49 o  214.521   5.0827  316.270   14.775  320.091   21.009  312.531   20.782  215.804   7.1840  213.237   7.1919 2.566925 10.16532 
1 1 1  -39    1   50 o  302.269   6.5595  642.064   25.610  661.094   32.037  608.374   42.626  309.742   7.6326  294.797   10.670 14.94562 13.11905 
1 1 1  -39    1   51 o  240.683   5.1613  398.835   16.833  392.912   23.678  404.887   23.934  238.869   7.3149  242.498   7.2834 -3.629303 10.32253 
1 1 1  -39    1   52 o  232.062   5.1207  370.894   16.101  379.524   22.976  362.566   22.570  234.724   7.2232  229.400   7.2604 5.323410 10.24150 
1 1 1  -39    1   53 o   95.059   7.8097   66.818   9.4083   53.014   15.308   75.198   11.927   86.008   13.134  104.111   8.4535 -18.10338 15.61950 
1 1 1  -39    1   54 o  257.172   5.2623  456.694   18.333  461.589   26.338  452.094   25.533  258.457   7.5198  255.887   7.3634 2.569489 10.52457 
1 1 1  -39    1   55 o  164.564   5.1881  186.983   11.565  192.318   16.649  182.010   16.076  166.818   7.3651  162.310   7.3089 4.507782 10.37610 
1 1 1  -39    1   56 o  243.572   6.4960  411.751   19.771  423.842   35.820  406.454   23.710  244.649   10.804  242.496   7.2150 2.153412 12.99202 
1 1 1  -39    1   57 o  169.037   6.4924  193.322   13.653  218.021   25.459  183.352   16.175  175.341   10.715  162.733   7.3348 12.60834 12.98473 
1 1 1  -39    1   58 o   65.348   11.879   31.456   10.132   31.456   10.132   0.0000   0.0000   65.348   11.879  ?   ?       ?      ? 
1 1 1  -39    1   59 o  119.497   7.5472  107.255   10.983  116.803   13.347   87.228   19.330  129.628   7.5980  109.365   13.043 20.26235 15.09435 
1 1 1  -39    1   60 o  109.142   7.5378   83.458   10.255   81.028   12.240   89.183   18.784  107.580   8.3959  110.703   12.521 -3.123085 15.07551 
1 1 1  -39    1   61 o  125.864   5.4710  110.515   9.3307  109.539   13.086  111.525   13.308  125.313   7.7061  126.415   7.7682 -1.101517 10.94208 
1 1 1  -39    1   62 o   93.320   6.1772   61.394   7.7852   55.224   10.911   67.793   11.112   88.384   9.1097   98.256   8.3453 -9.871498 12.35435 
1 1 1  -39    1   63 o  164.140   5.1694  187.875   11.497  189.269   16.396  186.527   16.126  164.716   7.3455  163.564   7.2756 1.152710 10.33879 
1 1 1  -39    1   64 o  229.033   5.1732  366.334   16.056  365.503   22.737  367.161   22.676  228.756   7.3346  229.309   7.2973 -0.5531921 10.34639 
1 1 1  -39    1   65 o  112.288   5.8314   88.895   8.8657   84.118   12.441   93.824   12.637  109.134   8.4125  115.442   8.0777 -6.307426 11.66279 
1 1 1  -39    1   66 o   93.316   7.2518   59.377   8.8983   48.497   11.078   79.162   14.939   82.105   9.9565  104.528   10.546 -22.42319 14.50366 
1 1 1  -39    1   67 o  147.839   6.3636  156.457   12.138  158.033   15.104  153.584   20.393  150.067   7.4274  145.610   10.335 4.457275 12.72716 
1 1 1  -39    1   68 o  184.350   7.0487  245.611   17.608  245.450   24.997  245.769   24.808  184.239   10.012  184.460   9.9245 -0.2207947 14.09748 
1 1 1  -39    1   69 o   91.328   8.4736   62.504   10.358   52.400   14.684   72.509   14.612   83.182   13.027   99.474   10.840 -16.29236 16.94717 
1 1 1  -39    1   70 o   62.010   10.176   31.267   9.1290   15.786   12.988   46.384   12.834   45.264   16.418   78.756   12.025 -33.49199 20.35127 
1 1 1  -39    1   71 o   74.851   9.5895   43.950   9.4185   37.583   13.539   49.921   13.110   68.004   15.087   81.699   11.842 -13.69471 19.17906 
1 1 1  -39    1   72 o   59.442   15.316   29.192   12.414   0.0000   0.0000   29.192   12.414  ?   ?    59.442   15.316      ?      ? 
1 1 1  -39    1   73 o   40.339   15.106   11.744   11.144   0.0000   0.0000   11.744   11.144  ?   ?    40.339   15.106      ?      ? 
1 1 1  -39    2    1 o  192.642   4.6080  252.526   12.005  274.946   17.586  232.965   16.427  200.628   6.4684  184.655   6.5647 15.97293 9.216034 
1 1 1  -39    2    2 o  219.459   4.6547  329.170   13.835  321.769   19.743  336.311   19.394  216.998   6.7140  221.920   6.4489 -4.922043 9.309465 
1 1 1  -39    2    3 o  209.303   4.6411  299.208   13.157  298.283   18.888  300.081   18.339  208.962   6.6701  209.645   6.4550 -0.6828308 9.282110 
1 1 1  -39    2    4 o  272.535   4.9015  507.008   18.091  524.740   26.163  490.763   25.042  277.083   6.9677  267.986   6.8956 9.096985 9.802991 
1 1 1  -39    2    5 o  221.471   4.7055  334.775   14.113  339.078   20.375  330.805   19.568  222.815   6.7478  220.128   6.5599 2.687180 9.410920 
1 1 1  -39    2    6 o  249.924   4.8041  426.753   16.263  419.272   23.222  433.954   22.782  247.738   6.9172  252.111   6.6685 -4.373138 9.608131 
1 1 1  -39    2    7 o  256.146   4.8500  448.228   16.829  440.184   23.962  456.058   23.642  253.846   6.9658  258.447   6.7505 -4.600327 9.700046 
1 1 1  -39    2    8 o  247.118   4.8368  417.173   16.189  404.688   22.991  429.451   22.800  243.412   6.9701  250.823   6.7079 -7.410446 9.673582 
1 1 1  -39    2    9 o  162.555   4.7841  180.261   10.532  183.590   15.211  177.194   14.598  163.982   6.8450  161.129   6.6855 2.853668 9.568207 
1 1 1  -39    2   10 o  160.319   4.8199  175.280   10.466  181.101   15.093  169.888   14.526  162.877   6.8379  157.762   6.7947 5.115509 9.639728 
1 1 1  -39    2   11 o  258.458   4.9361  456.161   17.286  453.060   24.614  459.178   24.281  257.572   7.0518  259.345   6.9089 -1.774017 9.872231 
1 1 1  -39    2   12 o  317.974   6.3779  694.050   26.167  694.663   32.414  692.903   44.336  318.791   7.5032  317.156   10.316 1.634430 12.75578 
1 1 1  -39    2   13 o  256.314   6.0221  454.955   19.990  467.363   25.045  433.177   33.181  261.625   7.0643  251.003   9.7550 10.62152 12.04428 
1 1 1  -39    2   14 o  191.150   5.8473  251.121   14.544  253.663   18.244  246.686   24.093  192.767   6.9838  189.532   9.3803 3.234863 11.69460 
1 1 1  -39    2   15 o  207.124   4.8750  290.935   13.635  326.017   20.156  261.331   18.515  218.584   6.8045  195.665   6.9829 22.91910 9.749968 
1 1 1  -39    2   16 o  161.234   4.9809  177.408   10.873  178.764   15.746  176.173   15.032  161.799   7.1813  160.669   6.9040 1.129929 9.961766 
1 1 1  -39    2   17 o  263.612   6.8310  477.482   24.396  477.807   34.107  477.141   34.908  263.749   9.5427  263.476   9.7769 0.2726746 13.66199 
1 1 1  -39    2   18 o  272.349   6.8938  509.169   25.426  493.686   35.188  526.084   36.780  268.045   9.6875  276.652   9.8106 -8.606384 13.78751 
1 1 1  -39    2   19 o  222.479   5.5330  342.097   14.642  346.205   17.089  330.754   28.397  225.514   5.5919  219.445   9.5492 6.069305 11.06604 
1 1 1  -39    2   20 o  225.858   5.5679  355.070   14.977  362.264   17.531  335.631   28.817  230.682   5.6080  221.035   9.6206 9.647583 11.13581 
1 1 1  -39    2   21 o  278.807   5.7558  519.584   18.882  507.443   21.723  557.113   38.192  272.957   5.8728  284.656   9.9009 -11.69864 11.51158 
1 1 1  -39    2   22 o  262.401   6.9341  469.916   24.657  469.916   24.657   0.0000   0.0000  262.401   6.9341  ?   ?       ?      ? 
1 1 1  -39    2   23 o  179.706   6.7086  220.306   16.337  220.306   16.337   0.0000   0.0000  179.706   6.7086  ?   ?       ?      ? 
1 1 1  -39    2   24 o  216.083   5.7935  317.471   16.028  313.162   19.617  326.125   27.798  214.241   6.7568  217.924   9.4131 -3.682312 11.58708 
1 1 1  -39    2   25 o  196.316   4.7423  262.930   12.616  260.620   17.790  265.266   17.893  195.447   6.7169  197.186   6.6963 -1.738647 9.484637 
1 1 1  -39    2   26 o  262.532   4.9209  470.199   17.497  448.839   24.437  492.673   25.065  256.396   7.0332  268.667   6.8845 -12.27103 9.841866 
1 1 1  -39    2   27 o  322.389   5.2580  710.306   22.971  712.885   32.610  707.766   32.362  322.964   7.4511  321.814   7.4208 1.150208 10.51601 
1 1 1  -39    2   28 o  259.496   4.9498  459.711   17.404  467.324   24.823  452.349   24.409  261.609   7.0020  257.384   6.9981 4.224335 9.899531 
1 1 1  -39    2   29 f  163.851   4.8744  183.300   10.822  179.710   15.276  186.917   15.333  162.230   6.9485  165.471   6.8378 -3.241104 9.748708 
1 1 1  -39    2   30 o  176.065   4.8314  211.559   11.525  215.222   16.514  208.081   16.092  177.544   6.8636  174.585   6.8016 2.958405 9.662824 
1 1 1  -39    2   31 o  258.604   4.9760  456.875   17.437  452.912   24.714  460.803   24.606  257.473   7.0832  259.734   6.9909 -2.260956 9.952092 
1 1 1  -39    2   32 o  256.029   4.9940  447.746   17.324  455.363   24.791  440.478   24.217  258.149   7.0867  253.909   7.0383 4.239807 9.987947 
1 1 1  -39    2   33 o  245.995   6.1001  419.388   19.113  402.852   32.908  427.806   23.480  241.746   10.045  250.244   6.9238 -8.498047 12.20016 
1 1 1  -39    2   34 o  225.956   5.9992  349.192   17.238  353.584   30.185  347.067   21.000  226.523   9.8331  225.390   6.8754 1.133102 11.99835 
1 1 1  -39    2   35 f  286.336   5.1620  561.005   20.022  553.937   28.601  567.798   28.038  284.522   7.4180  288.149   7.1805 -3.626770 10.32402 
1 1 1  -39    2   36 o  215.538   6.0629  314.985   16.534  330.392   29.481  307.916   19.970  218.838   9.9412  212.237   6.9434 6.601257 12.12587 
1 1 1  -39    2   37 o  224.974   7.0934  349.347   21.609  331.182   30.277  368.207   30.851  218.941   10.205  231.006   9.8553 -12.06444 14.18681 
1 1 1  -39    2   38 o  189.573   6.2029  248.007   15.094  249.912   18.628  244.364   25.757  191.094   7.1934  188.052   10.107 3.041641 12.40577 
1 1 1  -39    2   39 o  209.573   4.9772  300.437   14.132  305.676   20.233  295.446   19.748  211.349   7.0645  207.797   7.0131 3.552094 9.954421 
1 1 1  -39    2   40 o  173.139   5.0718  205.456   11.885  194.577   16.847  216.238   16.771  168.519   7.3770  177.760   6.9621 -9.240387 10.14351 
1 1 1  -39    2   41 o  114.438   5.7396   89.627   8.8751   99.787   12.965   80.668   12.175  120.552   7.9364  108.324   8.2936 12.22791 11.47914 
1 1 1  -39    2   42 o  179.004   5.0172  219.702   12.153  206.235   17.181  233.190   17.194  173.449   7.3095  184.559   6.8747 -11.11041 10.03449 
1 1 1  -39    2   43 o  237.164   6.2949  385.081   18.942  379.788   22.989  396.270   33.426  235.368   7.2077  238.961   10.322 -3.592957 12.58974 
1 1 1  -39    2   44 o   88.858   8.0067   53.792   9.0413   51.414   10.920   58.973   16.122   86.227   9.3455   91.489   13.003 -5.261765 16.01340 
1 1 1  -39    2   45 o  179.459   5.0641  220.622   12.303  235.189   17.749  207.152   17.068  185.179   7.0730  173.739   7.2493 11.44058 10.12817 
1 1 1  -39    2   46 f  290.153   5.2568  578.310   20.666  585.810   29.552  571.132   28.912  291.975   7.4690  288.332   7.3994 3.643707 10.51370 
1 1 1  -39    2   47 o  212.326   6.0627  315.616   16.697  327.132   21.026  295.955   27.473  218.274   7.1084  206.378   9.8233 11.89616 12.12543 
1 1 1  -39    2   48 o  156.667   6.1556  171.455   12.602  176.568   15.992  163.080   20.467  160.235   7.3651  153.100   9.8652 7.134506 12.31122 
1 1 1  -39    2   49 o  310.169   5.4136  662.900   22.753  656.659   32.269  669.071   32.086  308.678   7.7143  311.661   7.5973 -2.982788 10.82723 
1 1 1  -39    2   50 o  246.842   5.1285  419.230   17.151  425.888   24.590  412.923   23.933  248.728   7.2955  244.957   7.2099 3.770340 10.25704 
1 1 1  -39    2   51 f  154.036   5.2308  163.763   10.902  154.880   15.521  172.414   15.315  149.818   7.6448  158.253   7.1416 -8.435028 10.46158 
1 1 1  -39    2   52 o  142.232   5.3084  139.641   10.227  138.579   14.644  140.653   14.290  141.662   7.6281  142.803   7.3844 -1.140366 10.61682 
1 1 1  -39    2   53 o  139.685   5.3441  134.611   10.108  141.156   14.617  128.610   13.994  142.940   7.5459  136.431   7.5694 6.508438 10.68811 
1 1 1  -39    2   54 o  116.156   7.0121   97.357   10.258   86.674   17.588  102.865   12.629  110.378   11.759  121.933   7.6430 -11.55558 14.02418 
1 1 1  -39    2   55 o  127.491   7.6229  112.557   13.170   0.0000   0.0000  112.557   13.170  ?   ?   127.491   7.6229      ?      ? 
1 1 1  -39    2   56 o  155.229   5.2700  166.920   11.065  166.061   16.116  167.687   15.220  154.744   7.6852  155.713   7.2131 -0.9690399 10.53993 
1 1 1  -39    2   57 o  138.361   5.3401  132.542   10.003  139.506   14.527  126.264   13.794  141.807   7.5595  134.915   7.5448 6.892029 10.68030 
1 1 1  -39    2   58 o   98.511   6.1636   68.592   8.1150   56.413   11.550   80.466   11.404   89.482   9.5248  107.540   7.8256 -18.05797 12.32726 
1 1 1  -39    2   59 o   65.182   8.2074   31.343   7.0084   27.191   10.214   35.038   9.6343   60.093   12.926   70.270   10.117 -10.17716 16.41472 
1 1 1  -39    2   60 o  195.734   6.4813  273.219   16.077  279.453   19.706  260.813   27.800  200.544   7.2512  190.923   10.745 9.621155 12.96266 
1 1 1  -39    2   61 o  143.893   6.8380  142.770   12.393  135.842   14.847  158.689   22.504  139.415   7.8585  148.372   11.193 -8.956924 13.67599 
1 1 1  -39    2   62 o   88.219   6.4691   54.973   7.7203   59.657   11.182   50.706   10.672   91.870   8.9818   84.567   9.3125 7.303261 12.93819 
1 1 1  -39    2   63 f   89.632   6.3796   56.908   7.7471   57.371   11.094   56.467   10.823   89.953   9.1008   89.310   8.9429 0.6435928 12.75928 
1 1 1  -39    2   64 o  125.270   5.5958  109.858   9.4750  121.411   13.805   99.568   13.028  131.571   7.7427  118.969   8.0809 12.60205 11.19152 
1 1 1  -39    2   65 o   97.655   8.3694   77.091   9.5509   98.598   12.452   46.357   14.886  118.476   7.7558   76.834   14.834 41.64141 16.73880 
1 1 1  -39    2   66 o  111.216   6.7490   88.904   9.8573   89.794   12.553   87.471   15.919  112.731   8.2175  109.702   10.708 3.029045 13.49802 
1 1 1  -39    2   67 o   97.200   7.0874   66.390   9.0603   60.924   11.334   76.063   15.079   92.365   9.0553  102.036   10.905 -9.670410 14.17486 
1 1 1  -39    2   68 o   36.481   9.9846   7.4778   6.9438   4.7549   8.9273   11.648   11.048   32.279   13.092   40.683   15.079 -8.403954 19.96929 
1 1 1  -39    2   69 o   61.116   10.718   30.264   8.8570   34.263   12.838   26.632   12.235   65.223   14.857   57.010   15.451 8.212738 21.43530 
1 1 1  -39    2   70 o   91.746   8.3950   62.691   10.417   68.251   15.155   57.712   14.342   95.726   11.683   87.767   12.059 7.958916 16.79002 
1 1 1  -39    2   71 o  115.664   10.833   98.631   16.980   0.0000   0.0000   98.631   16.980  ?   ?   115.664   10.833      ?      ? 
1 1 1  -39    2   72 o  110.812   11.081   91.114   16.640   0.0000   0.0000   91.114   16.640  ?   ?   110.812   11.081      ?      ? 
1 1 1  -39    2   73 o   97.041   11.739   70.840   15.437   0.0000   0.0000   70.840   15.437  ?   ?    97.041   11.739      ?      ? 
1 1 1  -39    3    1 o  123.886   4.8089  104.734   8.0441  107.741   11.962  102.252   10.869  125.465   7.0357  122.308   6.5574 3.156776 9.617730 
1 1 1  -39    3    2 o  237.711   4.7246  386.081   15.202  390.332   22.080  382.250   20.962  238.911   6.8200  236.512   6.5402 2.399124 9.449137 
1 1 1  -39    3    3 o  361.510   5.4604  895.947   26.744  885.007   38.078  906.597   37.570  359.278   7.8210  363.741   7.6220 -4.463104 10.92078 
1 1 1  -39    3    4 o  198.752   4.6507  269.730   12.513  272.411   18.155  267.304   17.270  199.659   6.7099  197.845   6.4416 1.814651 9.301492 
1 1 1  -39    3    5 o  188.995   4.6586  244.361   11.909  235.685   17.176  252.394   16.527  185.704   6.8253  192.286   6.3424 -6.582535 9.317221 
1 1 1  -39    3    6 o  206.328   4.6728  290.703   13.046  291.366   18.984  290.110   17.958  206.507   6.7836  206.149   6.4283 0.3581543 9.345611 
1 1 1  -39    3    7 o  149.869   4.7554  153.612   9.6339  150.283   14.040  156.574   13.244  148.285   6.9868  151.453   6.4529 -3.167969 9.510809 
1 1 1  -39    3    8 o  128.360   4.9068  112.209   8.5187  118.520   12.533  106.790   11.614  131.690   7.0230  125.030   6.8546 6.660591 9.813628 
1 1 1  -39    3    9 o  157.375   4.7532  168.833   10.119  173.648   14.839  164.647   13.834  159.442   6.8676  155.307   6.5733 4.134766 9.506387 
1 1 1  -39    3   10 o  154.471   4.7983  162.908   10.026  163.427   14.633  162.449   13.765  154.667   6.9817  154.274   6.5842 0.3935394 9.596652 
1 1 1  -39    3   11 o  117.978   5.1370   95.014   8.1903   96.820   12.085   93.481   11.139  118.980   7.4952  116.977   7.0268 2.003624 10.27390 
1 1 1  -39    3   12 o  102.176   5.6098   71.263   7.7377   73.778   11.535   69.206   10.434  103.773   8.2024  100.578   7.6550 3.195091 11.21957 
1 1 1  -39    3   13 o  183.322   6.6616  229.361   16.549   0.0000   0.0000  229.361   16.549  ?   ?   183.322   6.6616      ?      ? 
1 1 1  -39    3   14 o  158.132   4.9492  170.304   10.586  178.279   15.563  163.436   14.441  161.549   7.1088  154.716   6.8880 6.833008 9.898459 
1 1 1  -39    3   15 o  234.165   4.9705  373.482   15.746  391.351   23.108  357.995   21.513  239.354   7.1241  228.976   6.9332 10.37860 9.940928 
1 1 1  -39    3   16 o  328.960   7.4872  743.054   33.297  796.915   49.191  697.505   45.236  339.863   10.681  318.057   10.495 21.80579 14.97433 
1 1 1  -39    3   17 o  334.735   7.5705  772.941   34.319  776.104   49.464  770.006   47.655  335.293   10.886  334.176   10.523 1.116913 15.14094 
1 1 1  -39    3   18 o  228.404   5.8698  365.413   17.243  385.591   21.611  330.061   28.604  237.707   6.7088  219.102   9.6338 18.60507 11.73957 
1 1 1  -39    3   19 o  135.994   5.9508  127.626   10.329  129.501   12.695  123.952   17.768  137.745   6.8008  134.243   9.7673 3.501511 11.90169 
1 1 1  -39    3   20 o  146.253   5.4600  142.643   9.6395  138.434   11.231  154.415   18.784  142.556   5.8138  149.951   9.2438 -7.394760 10.92006 
1 1 1  -39    3   21 o  218.465   5.8862  325.729   16.792  322.441   21.053  331.478   27.838  217.267   7.1506  219.663   9.3518 -2.396347 11.77232 
1 1 1  -39    3   22 o  341.941   6.1955  804.998   25.234  808.481   29.420  795.305   49.082  344.341   6.3048  339.540   10.667 4.800171 12.39102 
1 1 1  -39    3   23 o  329.991   6.1122  743.004   23.959  739.081   27.824  754.258   47.124  329.248   6.2360  330.733   10.514 -1.485107 12.22447 
1 1 1  -39    3   24 o  239.686   5.6149  385.552   15.906  377.773   18.354  409.015   31.876  235.498   5.7512  243.875   9.6454 -8.377441 11.22988 
1 1 1  -39    3   25 o  158.185   5.7839  170.463   12.398  170.463   12.398   0.0000   0.0000  158.185   5.7839  ?   ?       ?      ? 
1 1 1  -39    3   26 o  193.420   5.7644  245.664   14.200  227.163   17.074  287.163   25.572  182.391   6.9081  204.448   9.2300 -22.05684 11.52882 
1 1 1  -39    3   27 o  110.785   5.3216   83.750   7.9772   90.436   11.565   77.681   11.018  115.008   7.4204  106.562   7.6299 8.446014 10.64320 
1 1 1  -39    3   28 o  129.628   5.0798  114.726   8.9182  118.084   12.885  111.638   12.356  131.439   7.2341  127.817   7.1335 3.622551 10.15963 
1 1 1  -39    3   29 o  169.794   5.9520  202.133   12.864  184.077   21.845  211.718   15.916  163.483   9.8605  176.105   6.6691 -12.62175 11.90404 
1 1 1  -39    3   30 o  171.456   9.5605  202.319   22.213  202.319   22.213   0.0000   0.0000  171.456   9.5605  ?   ?       ?      ? 
1 1 1  -39    3   31 o  121.669   6.4399  102.797   9.9004   98.793   17.307  104.745   12.070  119.562   10.682  123.775   7.1962 -4.212448 12.87988 
1 1 1  -39    3   32 o  150.986   4.9874  155.027   10.177  170.951   14.989  141.411   13.861  158.152   6.9940  143.820   7.1120 14.33247 9.974851 
1 1 1  -39    3   33 o  219.894   4.8589  330.450   14.475  329.939   20.714  330.937   20.235  219.704   6.9574  220.083   6.7847 -0.3789978 9.717893 
1 1 1  -39    3   34 o  205.300   4.8657  287.953   13.530  292.131   19.503  284.078   18.785  206.713   6.9625  203.886   6.7989 2.826706 9.731399 
1 1 1  -39    3   35 o  205.240   7.0069  288.075   19.488  288.075   19.488   0.0000   0.0000  205.240   7.0069  ?   ?       ?      ? 
1 1 1  -39    3   36 o  372.907   5.6832  953.692   28.711  968.651   41.210  939.582   40.022  375.715   8.0940  370.099   7.9800 5.615356 11.36634 
1 1 1  -39    3   37 o  248.482   6.1803  426.436   19.513  419.679   33.963  429.765   23.841  246.344   10.174  250.619   7.0200 -4.274826 12.36053 
1 1 1  -39    3   38 o  133.971   6.4780  123.710   10.971  123.673   19.355  123.727   13.318  133.545   10.695  134.396   7.3124 -0.8518677 12.95595 
1 1 1  -39    3   39 o   75.673   7.0586   39.680   7.2168   38.659   10.537   40.581   9.9043   74.687   10.411   76.659   9.5340 -1.971962 14.11716 
1 1 1  -39    3   40 o  117.162   5.5975   94.877   8.8233   83.504   12.641  105.680   12.321  110.159   8.4683  124.166   7.3225 -14.00797 11.19508 
1 1 1  -39    3   41 o  170.323   5.0199  198.758   11.582  199.589   16.635  197.977   16.134  170.642   7.1935  170.003   7.0035 0.6396942 10.03972 
1 1 1  -39    3   42 o  177.227   6.2519  220.475   14.143  204.764   24.003  228.829   17.503  171.737   10.314  182.717   7.0690 -10.98041 12.50385 
1 1 1  -39    3   43 o  106.200   8.2795   78.883   11.842   90.806   17.083   67.853   16.430  114.107   11.047   98.293   12.335 15.81444 16.55891 
1 1 1  -39    3   44 o  140.220   6.4701  132.422   11.709  124.829   14.327  147.696   20.319  134.704   7.8483  145.736   10.288 -11.03188 12.94013 
1 1 1  -39    3   45 o  142.117   7.4988  138.835   14.442  138.835   14.442   0.0000   0.0000  142.117   7.4988  ?   ?       ?      ? 
1 1 1  -39    3   46 f  138.925   6.3496  135.809   11.459  142.188   14.505  125.216   18.691  143.798   7.4435  134.053   10.289 9.745300 12.69915 
1 1 1  -39    3   47 o  141.906   5.2690  138.403   10.127  143.727   14.615  133.485   14.045  144.526   7.4622  139.287   7.4409 5.238586 10.53803 
1 1 1  -39    3   48 o   76.671   7.4363   41.318   7.2998   56.038   10.864   29.203   9.8563   89.908   8.9169   63.434   11.903 26.47390 14.87265 
1 1 1  -39    3   49 o  113.419   5.7909   89.586   8.8263   78.214   12.670  100.308   12.302  106.198   8.8041  120.640   7.5251 -14.44171 11.58189 
1 1 1  -39    3   50 o  162.277   5.1368  181.410   11.283  181.494   16.356  181.334   15.585  162.248   7.4391  162.306   7.0856 -0.5798340E-01 10.27353 
1 1 1  -39    3   51 o  121.193   5.5474  101.997   9.0655   92.336   12.989  111.171   12.658  115.427   8.3042  126.958   7.3575 -11.53128 11.09470 
1 1 1  -39    3   52 o  180.120   5.1008  223.566   12.435  227.998   18.115  219.618   17.099  181.744   7.3553  178.497   7.0692 3.246292 10.20165 
1 1 1  -39    3   53 o  185.607   6.3151  234.420   14.628  255.173   26.929  225.733   17.422  190.339   10.440  180.876   7.1079 9.462646 12.63030 
1 1 1  -39    3   54 o  175.508   5.1748  213.709   12.261  197.436   17.607  229.029   17.084  168.814   7.6966  182.204   6.9192 -13.39001 10.34952 
1 1 1  -39    3   55 o   98.667   7.3621   68.125   9.1321   70.664   16.378   66.979   11.001   99.236   12.179   98.097   8.2754 1.139282 14.72426 
1 1 1  -39    3   56 o  100.191   6.1183   69.568   8.2636   75.747   12.490   64.756   11.021  104.043   8.8583   96.339   8.4417 7.703667 12.23653 
1 1 1  -39    3   57 o  102.802   6.0615   73.425   8.3938   85.590   12.377   63.063   11.422  110.755   8.2462   94.848   8.8865 15.90675 12.12307 
1 1 1  -39    3   58 o  125.447   5.5709  109.904   9.4401  106.092   13.758  113.296   12.977  123.223   8.2390  127.670   7.5007 -4.446114 11.14189 
1 1 1  -39    3   59 o   87.797   6.5363   54.905   7.6926   48.471   11.234   60.586   10.556   82.595   10.037   92.999   8.3759 -10.40430 13.07252 
1 1 1  -39    3   60 o  175.556   5.1836  214.915   12.307  204.177   17.647  225.083   17.172  171.097   7.6110  180.014   7.0393 -8.917664 10.36718 
1 1 1  -39    3   61 f  118.723   7.2933   97.456   10.925   91.718   13.085  110.664   19.852  114.195   8.4556  123.252   11.886 -9.057106 14.58668 
1 1 1  -39    3   62 o   96.703   6.2491   66.139   8.1800   69.932   11.610   62.401   11.527   99.561   8.6053   93.844   9.0640 5.716644 12.49829 
1 1 1  -39    3   63 o   82.716   7.6253   47.826   8.3734   41.513   10.616   58.219   13.621   75.961   10.313   89.471   11.235 -13.51060 15.25058 
1 1 1  -39    3   64 o  144.283   6.2011  145.306   11.711  138.919   14.640  156.657   19.516  140.698   7.6784  147.867   9.7394 -7.169418 12.40217 
1 1 1  -39    3   65 o   84.117   7.6372   50.717   8.5326   47.835   10.912   55.252   13.689   81.559   9.8727   86.674   11.655 -5.115051 15.27432 
1 1 1  -39    3   66 o   82.877   7.5729   49.748   8.3171   48.711   10.672   51.353   13.274   82.368   9.5607   83.385   11.747 -1.017303 15.14577 
1 1 1  -39    3   67 o  101.068   7.0091   72.406   9.3760   67.566   11.887   80.375   15.253   97.223   9.0224  104.913   10.729 -7.690002 14.01814 
1 1 1  -39    3   68 o  117.568   6.8694  102.593   10.438  111.697   13.358   88.314   16.728  125.726   7.8400  109.411   11.282 16.31516 13.73886 
1 1 1  -39    3   69 o  114.412   10.746   96.075   16.661   0.0000   0.0000   96.075   16.661  ?   ?   114.412   10.746      ?      ? 
1 1 1  -39    3   70 o  102.066   11.211   77.183   15.507   0.0000   0.0000   77.183   15.507  ?   ?   102.066   11.211      ?      ? 
1 1 1  -39    3   71 o   94.204   11.648   66.384   14.869   0.0000   0.0000   66.384   14.869  ?   ?    94.204   11.648      ?      ? 
1 1 1  -39    3   72 o   97.479   11.595   71.232   15.316   0.0000   0.0000   71.232   15.316  ?   ?    97.479   11.595      ?      ? 
1 1 1  -39    3   73 o  106.282   11.273   84.514   16.236   0.0000   0.0000   84.514   16.236  ?   ?   106.282   11.273      ?      ? 
1 1 1  -39    3   74 o  104.468   11.300   82.005   15.998   0.0000   0.0000   82.005   15.998  ?   ?   104.468   11.300      ?      ? 
1 1 1  -39    4    1 o  173.809   5.6040  204.072   12.002  215.921   22.477  199.346   14.195  176.802   9.3814  170.816   6.1325 5.985809 11.20795 
1 1 1  -39    4    2 o  149.263   5.6069  144.878   10.355  173.151   19.763  134.177   12.158  158.421   9.2057  140.105   6.4036 18.31532 11.21389 
1 1 1  -39    4    3 o  183.576   5.7105  233.880   13.004  225.309   23.516  237.655   15.608  180.613   9.6080  186.538   6.1744 -5.925247 11.42091 
1 1 1  -39    4    4 o  150.784   6.5907  156.819   13.414  156.477   19.852  157.107   18.196  150.513   9.7329  151.055   8.8892 -0.5412598 13.18133 
1 1 1  -39    4    5 o  170.672   6.5398  200.210   15.078  207.290   22.373  194.319   20.409  173.342   9.5246  168.002   8.9643 5.339737 13.07964 
1 1 1  -39    4    6 o  107.765   7.1965   79.682   10.461   86.627   15.743   74.190   13.999  111.894   10.382  103.635   9.9683 8.259171 14.39308 
1 1 1  -39    4    7 o  126.403   6.0394  109.219   9.4730  111.177   17.366  108.390   11.303  126.857   10.102  125.949   6.6223 0.9079742 12.07882 
1 1 1  -39    4    8 o  102.313   6.6388   68.961   8.3928   79.859   15.952   64.790   9.8691  107.353   10.965   97.273   7.4869 10.07964 13.27752 
1 1 1  -39    4    9 o  151.976   6.4894  157.720   13.365   0.0000   0.0000  157.720   13.365  ?   ?   151.976   6.4894      ?      ? 
1 1 1  -39    4   10 o  147.689   4.8961  149.003   9.7522  149.958   14.538  148.223   13.150  148.058   7.2457  147.321   6.5868 0.7373047 9.792164 
1 1 1  -39    4   11 o  183.545   4.7501  228.526   11.768  248.554   17.624  212.409   15.810  190.730   6.8186  176.361   6.6152 14.36955 9.500258 
1 1 1  -39    4   12 o  229.655   4.8061  360.355   14.933  359.389   21.732  361.219   20.553  229.309   6.9937  230.002   6.5942 -0.6934509 9.612247 
1 1 1  -39    4   13 o  189.373   4.7912  244.850   12.268  246.578   17.987  243.347   16.775  189.949   6.9879  188.797   6.5568 1.152039 9.582369 
1 1 1  -39    4   14 o  185.144   5.4294  244.595   12.048  257.546   14.286  212.706   22.418  194.463   5.4211  175.824   9.4087 18.63918 10.85873 
1 1 1  -39    4   15 o  137.287   5.3092  127.276   8.8260  125.253   10.335  132.727   16.963  135.590   5.6249  138.985   9.0063 -3.394699 10.61849 
1 1 1  -39    4   16 o  147.208   5.3441  150.048   9.4447  152.183   11.088  144.402   18.031  149.481   5.4735  144.936   9.1803 4.545654 10.68816 
1 1 1  -39    4   17 o  181.044   5.3947  233.044   11.716  244.369   13.881  205.001   21.845  189.434   5.4075  172.653   9.3365 16.78128 10.78942 
1 1 1  -39    4   18 o  213.706   5.3775  318.040   13.794  324.797   16.222  300.399   26.211  218.381   5.4816  209.032   9.2531 9.349579 10.75492 
1 1 1  -39    4   19 o  173.655   5.8270  209.277   13.304  218.384   17.099  195.302   21.181  178.769   7.0581  168.541   9.2736 10.22765 11.65402 
1 1 1  -39    4   20 o  172.360   5.8632  207.537   13.221  220.626   16.968  187.312   21.092  179.703   6.9677  165.017   9.4320 14.68661 11.72650 
1 1 1  -39    4   21 o  222.840   5.3582  336.066   14.407  331.689   16.847  347.983   27.798  220.654   5.6340  225.027   9.1158 -4.372803 10.71637 
1 1 1  -39    4   22 o  180.894   5.4243  228.636   11.886  234.806   14.077  213.313   22.184  185.658   5.5952  176.130   9.2945 9.527832 10.84869 
1 1 1  -39    4   23 o  140.911   6.0809  140.100   11.099  151.670   14.150  121.600   17.892  148.985   7.0086  132.837   9.9393 16.14726 12.16179 
1 1 1  -39    4   24 o  141.123   5.9713  136.771   11.019  137.228   13.888  135.996   18.102  141.671   7.2338  140.576   9.5026 1.095627 11.94269 
1 1 1  -39    4   25 o  186.008   5.7752  238.393   14.053  242.037   17.781  232.329   22.938  188.203   6.9719  183.814   9.2088 4.389252 11.55032 
1 1 1  -39    4   26 o  189.447   5.9125  251.914   14.643  272.055   18.879  221.507   23.197  199.522   6.9824  179.372   9.5434 20.15030 11.82502 
1 1 1  -39    4   27 o  231.133   5.7984  364.144   18.162  364.144   18.162   0.0000   0.0000  231.133   5.7984  ?   ?       ?      ? 
1 1 1  -39    4   28 o  189.278   5.8876  245.951   14.299  246.311   17.608  245.253   24.502  189.862   6.8438  188.695   9.5822 1.166626 11.77523 
1 1 1  -39    4   29 o  146.689   4.9279  147.035   9.7863  148.350   14.184  145.841   13.520  147.289   7.1065  146.089   6.8291 1.199692 9.855888 
1 1 1  -39    4   30 o  150.849   4.8786  155.775   9.9554  150.631   14.357  160.539   13.817  148.400   7.1389  153.298   6.6511 -4.897629 9.757113 
1 1 1  -39    4   31 o  115.532   5.3268   91.878   8.2906   85.727   12.135   97.262   11.354  111.807   8.0089  119.256   7.0255 -7.449455 10.65362 
1 1 1  -39    4   32 o  128.830   5.1256  113.461   8.9370  116.106   13.028  111.109   12.283  130.223   7.3825  127.437   7.1124 2.785797 10.25116 
1 1 1  -39    4   33 o   98.417   5.8969   66.557   7.8430   66.042   11.500   67.005   10.724   98.009   8.6584   98.824   8.0080 -0.8156586 11.79385 
1 1 1  -39    4   34 o  189.437   4.9143  245.321   12.604  249.613   18.288  241.439   17.395  190.983   7.0662  187.891   6.8317 3.092300 9.828688 
1 1 1  -39    4   35 o  160.817   5.0238  177.406   10.924  169.582   15.747  184.664   15.168  157.326   7.3859  164.308   6.8121 -6.982559 10.04766 
1 1 1  -39    4   36 o  198.594   4.9600  270.203   13.332  264.996   19.226  275.026   18.504  196.692   7.2129  200.497   6.8103 -3.805328 9.919972 
1 1 1  -39    4   37 o  148.628   5.1860  152.313   10.375  134.600   14.855  169.180   14.496  140.023   7.8288  157.233   6.8034 -17.21010 10.37192 
1 1 1  -39    4   38 o  177.820   4.9492  216.415   11.912  219.648   17.320  213.513   16.411  179.041   7.1384  176.600   6.8573 2.441833 9.898463 
1 1 1  -39    4   39 o  209.323   6.1966  312.393   16.319  272.253   27.935  333.186   20.106  198.026   10.410  220.620   6.7250 -22.59390 12.39319 
1 1 1  -39    4   40 o  148.676   6.3617  155.913   11.824  143.678   20.819  161.738   14.366  143.707   10.690  153.645   6.8995 -9.938614 12.72346 
1 1 1  -39    4   41 f  233.855   4.9936  375.119   15.819  370.806   22.607  379.257   22.143  232.492   7.1754  235.217   6.9468 -2.725449 9.987191 
1 1 1  -39    4   42 o  195.509   5.9202  262.657   15.081  260.358   18.863  266.728   25.105  194.785   7.1463  196.234   9.4405 -1.448868 11.84034 
1 1 1  -39    4   43 o  139.948   6.2290  135.567   11.387  136.141   14.342  134.587   18.731  140.723   7.5205  139.173   9.9318 1.549957 12.45791 
1 1 1  -39    4   44 o  120.604   5.5315  100.201   9.0319   99.414   13.028  100.929   12.533  120.102   8.0044  121.106   7.6368 -1.003944 11.06304 
1 1 1  -39    4   45 o  111.692   7.2723   86.881   10.429   86.601   12.848   87.420   17.857  111.943   8.4694  111.441   11.824 0.5016022 14.54457 
1 1 1  -39    4   46 o  142.719   6.5951  142.555   12.062  144.951   14.907  138.013   20.530  145.062   7.5830  140.376   10.792 4.686371 13.19010 
1 1 1  -39    4   47 o  153.344   5.1911  161.221   10.762  172.086   15.903  152.043   14.617  158.062   7.4244  148.626   7.2572 9.435944 10.38213 
1 1 1  -39    4   48 f  216.487   6.1903  321.761   17.049  335.201   30.001  315.350   20.720  218.943   10.112  214.031   7.1439 4.912323 12.38066 
1 1 1  -39    4   49 f  150.630   7.5538  159.519   15.403  168.268   21.850  150.875   21.718  154.874   10.411  146.387   10.948 8.487305 15.10755 
1 1 1  -39    4   50 o  136.555   7.2895  135.033   12.034  121.158   22.173  140.827   14.328  130.269   12.560  142.841   7.4019 -12.57237 14.57899 
1 1 1  -39    4   51 o  136.936   6.9081  130.758   11.674  132.822   21.532  129.898   13.893  136.768   11.618  137.105   7.4777 -0.3369904 13.81624 
1 1 1  -39    4   52 f  134.336   5.3960  125.076   9.7960  122.573   14.308  127.283   13.440  132.952   7.9417  135.720   7.3073 -2.768631 10.79201 
1 1 1  -39    4   53 o   71.642   7.4177   36.138   7.1776   37.756   10.674   34.803   9.6973   73.016   10.788   70.268   10.184 2.747139 14.83531 
1 1 1  -39    4   54 o  176.721   5.1757  216.306   12.377  214.279   17.935  218.150   17.103  175.822   7.5273  177.620   7.1056 -1.798447 10.35132 
1 1 1  -39    4   55 o  174.690   5.1674  211.592   12.207  209.417   17.792  213.526   16.780  173.707   7.5582  175.674   7.0485 -1.967606 10.33480 
1 1 1  -39    4   56 o   53.501   10.489   19.866   7.5128   29.699   13.411   15.369   9.0695   61.673   15.933   45.330   13.646 16.34323 20.97823 
1 1 1  -39    4   57 o   85.155   6.6946   51.462   7.6769   47.630   11.201   54.857   10.542   81.917   10.090   88.394   8.8010 -6.476440 13.38923 
1 1 1  -39    4   58 o   73.971   7.2054   38.740   7.1946   43.810   10.584   34.384   9.8095   78.530   9.9456   69.412   10.429 9.118240 14.41085 
1 1 1  -39    4   59 o   59.383   8.7474   26.550   6.7985   26.482   9.9477   26.610   9.3127   59.123   12.788   59.642   11.939 -0.5190048 17.49477 
1 1 1  -39    4   60 o   96.093   6.3582   66.103   8.1176   52.101   11.544   79.800   11.418   85.436   9.9706  106.751   7.8926 -21.31524 12.71632 
1 1 1  -39    4   61 o   28.987   12.474   0.7146   8.8590   0.7146   8.8590   0.0000   0.0000   28.987   12.474  ?   ?       ?      ? 
1 1 1  -39    4   62 o   91.579   9.1248   59.597   11.324   59.597   11.324   0.0000   0.0000   91.579   9.1248  ?   ?       ?      ? 
1 1 1  -39    4   63 f  119.125   6.4489   98.706   10.159   90.995   12.833  111.651   16.627  113.505   8.3430  124.745   9.8359 -11.23940 12.89771 
1 1 1  -39    4   64 o   59.696   9.4094   29.724   7.7902   40.092   10.186   15.112   12.092   74.565   10.080   44.828   15.891 29.73703 18.81885 
1 1 1  -39    4   65 o  126.803   6.3304  109.957   10.560   96.230   13.154  134.844   17.711  116.556   8.3280  137.051   9.5364 -20.49415 12.66088 
1 1 1  -39    4   66 o  156.339   6.1733  171.973   12.661  165.603   15.905  182.992   20.918  153.323   7.6551  159.354   9.6869 -6.030975 12.34650 
1 1 1  -39    4   67 o  122.102   6.5513  104.487   10.545   96.450   13.251  118.366   17.412  116.474   8.3952  127.730   10.060 -11.25563 13.10253 
1 1 1  -39    4   68 o   89.224   10.359   66.795   11.335   38.508   16.687   91.031   15.446   66.655   18.036  111.794   10.196 -45.13922 20.71822 
1 1 1  -39    4   69 o   33.623   9.9428   2.3571   8.2574  -8.7867   12.822   10.255   10.794   28.347   13.282   38.899   14.799 -10.55178 19.88558 
1 1 1  -39    4   70 o  117.603   10.632  101.829   16.943   0.0000   0.0000  101.829   16.943  ?   ?   117.603   10.632      ?      ? 
1 1 1  -39    4   71 o   96.130   11.560   69.231   15.060   0.0000   0.0000   69.231   15.060  ?   ?    96.130   11.560      ?      ? 
1 1 1  -39    4   72 o   49.387   15.807   20.422   11.963   0.0000   0.0000   20.422   11.963  ?   ?    49.387   15.807      ?      ? 
1 1 1  -39    4   73 o   47.158   16.095   18.566   12.341   0.0000   0.0000   18.566   12.341  ?   ?    47.158   16.095      ?      ? 
1 1 1  -39    4   74 o   60.420   15.831   31.282   13.118   0.0000   0.0000   31.282   13.118  ?   ?    60.420   15.831      ?      ? 
1 1 1  -39    5    1 o  154.904   5.4759  164.870   11.250  164.516   14.494  165.406   17.844  154.924   6.9040  154.885   8.5015 0.3968811E-01 10.95175 
1 1 1  -39    5    2 o  106.393   6.1199   79.436   8.6255   86.466   11.407   70.048   13.181  112.219   7.5010  100.567   9.6720 11.65177 12.23980 
1 1 1  -39    5    3 o  182.162   4.5804  227.189   11.232  225.489   16.844  228.551   15.073  181.444   6.8504  182.880   6.0822 -1.435760 9.160866 
1 1 1  -39    5    4 o  178.165   6.0784  216.874   14.675   0.0000   0.0000  216.874   14.675  ?   ?   178.165   6.0784      ?      ? 
1 1 1  -39    5    5 o  119.722   6.3792   97.991   10.350   0.0000   0.0000   97.991   10.350  ?   ?   119.722   6.3792      ?      ? 
1 1 1  -39    5    6 o  101.941   5.2232   70.547   7.1241   75.496   11.136   67.119   9.2689  104.863   7.8367   99.019   6.9076 5.843811 10.44645 
1 1 1  -39    5    7 o  148.495   4.7051  149.810   9.4047  159.153   14.307  142.701   12.480  152.488   6.9235  144.502   6.3732 7.985641 9.410211 
1 1 1  -39    5    8 o   98.893   5.3447   66.847   7.1093   68.706   10.792   65.423   9.4494  100.040   7.9606   97.746   7.1339 2.294144 10.68941 
1 1 1  -39    5    9 o  153.552   5.8683  165.073   11.700  173.878   14.821  150.516   19.057  159.427   6.8603  147.678   9.5227 11.74844 11.73653 
1 1 1  -39    5   10 o  163.063   5.8202  183.459   12.357  185.732   15.526  179.529   20.413  164.762   6.9536  161.363   9.3352 3.399033 11.64031 
1 1 1  -39    5   11 o  246.380   4.8387  413.849   16.116  432.891   23.817  397.769   21.887  251.542   6.9871  241.217   6.6958 10.32520 9.677460 
1 1 1  -39    5   12 o  255.006   4.9030  443.273   16.903  466.001   24.971  424.053   22.964  260.974   7.0610  249.038   6.8044 11.93663 9.805979 
1 1 1  -39    5   13 o  254.392   5.5069  451.416   16.873  461.146   19.887  426.414   31.878  260.077   5.6427  248.708   9.4585 11.36841 11.01373 
1 1 1  -39    5   14 o  179.486   5.5528  223.314   12.895  229.520   16.141  212.364   21.439  183.304   6.4981  175.668   9.0061 7.636108 11.10564 
1 1 1  -39    5   15 o  150.145   5.4570  151.959   10.678  145.639   13.258  163.624   18.012  145.983   6.7020  154.307   8.6138 -8.323318 10.91397 
1 1 1  -39    5   16 f  188.602   5.4833  244.128   13.480  245.096   16.921  242.447   22.303  189.410   6.5924  187.794   8.7638 1.616486 10.96650 
1 1 1  -39    5   17 o  175.369   5.5725  212.583   12.738  217.547   16.072  204.197   20.889  178.439   6.6464  172.298   8.9464 6.141418 11.14506 
1 1 1  -39    5   18 o  140.313   5.8104  138.624   10.610  150.143   13.612  120.788   16.938  148.218   6.7771  132.407   9.4400 15.81044 11.62077 
1 1 1  -39    5   19 o  248.551   5.4981  430.783   16.624  440.825   19.723  406.142   30.896  254.284   5.7236  242.819   9.3893 11.46558 10.99624 
1 1 1  -39    5   20 o  234.038   5.4730  385.608   15.575  399.898   18.544  351.392   28.696  242.212   5.6498  225.865   9.3752 16.34630 10.94603 
1 1 1  -39    5   21 o  145.070   5.3198  142.917   9.5274  141.221   11.311  147.059   17.675  143.912   5.8001  146.228   8.9196 -2.315903 10.63958 
1 1 1  -39    5   22 o  175.863   5.7625  212.617   13.435  214.301   17.338  210.087   21.255  176.969   7.2298  174.757   8.9754 2.211655 11.52509 
1 1 1  -39    5   23 o  179.714   5.8471  224.353   13.911  235.857   18.134  207.901   21.685  185.657   7.2076  173.770   9.2090 11.88692 11.69418 
1 1 1  -39    5   24 o  139.182   5.6124  136.907   9.5966  143.151   11.533  122.854   17.303  144.874   5.8745  133.490   9.5649 11.38402 11.22485 
1 1 1  -39    5   25 o  199.179   5.3561  272.500   13.096  273.505   15.547  270.046   24.297  200.279   5.7285  198.078   9.0519 2.201202 10.71229 
1 1 1  -39    5   26 o  262.363   5.6422  476.030   17.976  481.047   21.232  463.327   33.784  265.553   5.9000  259.173   9.6192 6.379700 11.28447 
1 1 1  -39    5   27 o  251.669   5.5408  429.963   16.992  424.404   19.993  444.423   32.245  249.415   5.9152  253.923   9.3708 -4.507217 11.08161 
1 1 1  -39    5   28 o  251.294   5.6051  432.861   17.130  432.397   20.190  434.053   32.363  251.741   5.9184  250.847   9.5205 0.8946533 11.21016 
1 1 1  -39    5   29 o  162.992   5.9977  181.314   13.247  181.314   13.247   0.0000   0.0000  162.992   5.9977  ?   ?       ?      ? 
1 1 1  -39    5   30 o  156.510   4.9362  167.688   10.462  165.906   15.028  169.363   14.574  155.671   7.1239  157.349   6.8348 -1.677948 9.872422 
1 1 1  -39    5   31 o   92.687   6.1974   60.182   7.6382   49.173   11.129   69.985   10.502   84.361   9.7348  101.014   7.6723 -16.65279 12.39482 
1 1 1  -39    5   32 o  146.191   4.9974  146.233   9.8899  148.618   14.365  144.085   13.636  147.294   7.1970  145.087   6.9354 2.207535 9.994838 
1 1 1  -39    5   33 o   98.255   5.7524   66.281   7.6315   67.149   11.314   65.556   10.337   98.790   8.4514   97.720   7.8060 1.069435 11.50473 
1 1 1  -39    5   34 o  120.382   5.3375   99.341   8.6734  100.406   12.875   98.456   11.736  120.910   7.8579  119.854   7.2257 1.055458 10.67510 
1 1 1  -39    5   35 o  168.997   4.9003  195.372   11.196  199.047   16.467  192.212   15.269  170.421   7.1303  167.574   6.7238 2.846298 9.800560 
1 1 1  -39    5   36 o  194.051   4.8765  257.259   12.798  268.534   18.833  247.585   17.445  197.953   7.0206  190.150   6.7699 7.802979 9.752973 
1 1 1  -39    5   37 o  120.215   5.3969   98.800   8.7655  105.314   13.028   93.413   11.848  123.788   7.7666  116.641   7.4957 7.147415 10.79378 
1 1 1  -39    5   38 o  153.303   6.0366  164.372   12.134  172.216   15.556  152.181   19.392  158.415   7.2464  148.191   9.6567 10.22456 12.07320 
1 1 1  -39    5   39 o  109.406   6.7383   85.386   9.5928   93.958   12.388   72.548   15.161  116.865   7.8222  101.947   10.974 14.91723 13.47652 
1 1 1  -39    5   40 o  119.601   6.5724   97.735   9.8676  102.716   17.843   95.540   11.843  121.291   10.856  117.912   7.4120 3.379547 13.14488 
1 1 1  -39    5   41 o  100.322   7.1049   69.505   8.9564   71.446   16.071   68.631   10.787  100.844   11.760   99.800   7.9758 1.043228 14.20987 
1 1 1  -39    5   42 f  166.871   4.9739  190.695   11.226  199.969   16.511  182.722   15.309  170.599   7.1419  163.144   6.9246 7.455246 9.947707 
1 1 1  -39    5   43 o  121.434   5.4151  101.196   8.8749  105.735   13.268   97.522   11.939  123.822   7.9074  119.045   7.4006 4.776550 10.83027 
1 1 1  -39    5   44 o  124.710   5.3787  107.570   9.0319  103.218   13.389  111.204   12.235  122.252   8.0816  127.168   7.0999 -4.915779 10.75740 
1 1 1  -39    5   45 o  141.698   5.2257  139.344   9.9562  124.252   14.419  153.099   13.765  134.132   7.9325  149.263   6.8049 -15.13138 10.45143 
1 1 1  -39    5   46 o  182.569   6.2331  230.792   14.633  229.430   18.040  233.412   25.021  182.476   7.2955  182.661   10.108 -0.1845703 12.46611 
1 1 1  -39    5   47 o  136.683   7.8453  131.513   14.519  138.426   21.012  125.196   20.086  140.129   11.065  133.237   11.125 6.892120 15.69065 
1 1 1  -39    5   48 o   88.212   8.8968   59.058   8.8406   50.183   16.887   62.408   10.376   81.507   15.860   94.917   8.0669 -13.41047 17.79351 
1 1 1  -39    5   49 o   64.248   8.5281   31.082   7.0822   22.335   10.527   38.313   9.5722   54.495   14.135   74.001   9.5453 -19.50646 17.05626 
1 1 1  -39    5   50 f   94.708   6.2536   62.858   7.9748   58.953   11.716   66.230   10.886   91.773   9.4207   97.644   8.2268 -5.870750 12.50718 
1 1 1  -39    5   51 o   73.077   7.3400   37.420   7.2253   40.199   10.960   35.283   9.6094   75.357   10.732   70.796   10.016 4.561836 14.68005 
1 1 1  -39    5   52 o   77.035   7.1080   41.264   7.3652   47.144   11.276   36.889   9.7267   81.714   10.183   72.357   9.9198 9.357559 14.21608 
1 1 1  -39    5   53 o   67.469   8.0515   33.855   6.9862   26.693   10.347   39.856   9.4712   59.602   13.162   75.336   9.2772 -15.73383 16.10301 
1 1 1  -39    5   54 o   84.392   6.8613   49.111   7.7488   61.121   11.973   40.455   10.165   93.141   9.4860   75.643   9.9160 17.49851 13.72268 
1 1 1  -39    5   55 f  173.656   7.5486  215.276   17.744  220.171   24.724  210.076   25.481  175.939   10.370  171.374   10.972 4.565475 15.09713 
1 1 1  -39    5   56 o  101.636   9.1628   75.490   12.602   72.206   17.262   79.239   18.439   99.355   12.821  103.917   13.094 -4.561279 18.32559 
1 1 1  -39    5   57 o   69.460   9.6438   37.199   8.3780   33.475   14.325   39.135   10.329   64.881   16.311   74.038   10.295 -9.156677 19.28759 
1 1 1  -39    5   58 o  145.717   5.3316  148.211   10.524  147.830   15.080  148.573   14.694  145.472   7.6496  145.962   7.4287 -0.4896698 10.66314 
1 1 1  -39    5   59 o  104.974   6.8868   79.531   9.4973   83.092   12.226   74.110   15.082  108.690   8.3003  101.258   10.992 7.431953 13.77350 
1 1 1  -39    5   60 o   78.035   7.6868   43.540   8.0165   41.010   10.392   47.256   12.598   75.592   10.145   80.479   11.551 -4.887802 15.37362 
1 1 1  -39    5   61 o   43.069   10.040   12.875   6.8585   8.2731   8.8491   19.797   10.854   36.046   13.468   50.092   14.894 -14.04683 20.08069 
1 1 1  -39    5   62 o   75.799   10.088   41.390   10.362   41.390   10.362   0.0000   0.0000   75.799   10.088  ?   ?       ?      ? 
1 1 1  -39    5   63 o  103.161   7.1494   79.663   9.4559   88.580   12.094   65.637   15.168  112.077   7.9626   94.244   11.876 17.83327 14.29876 
1 1 1  -39    5   64 o   62.641   9.3738   32.385   7.7262   40.109   9.9828   20.846   12.201   74.557   9.8805   50.725   15.933 23.83246 18.74758 
1 1 1  -39    5   65 o  118.308   6.6057  100.857   10.258  102.047   13.060   98.942   16.571  120.098   8.0249  116.519   10.495 3.579155 13.21141 
1 1 1  -39    5   66 o   66.290   11.441   35.507   9.9909   41.150   16.112   31.982   12.735   69.840   17.150   62.740   15.150 7.099743 22.88282 
1 1 1  -39    5   67 o   50.730   10.310   21.244   8.9975   2.3996   14.140   34.066   11.664   35.680   15.554   65.780   13.536 -30.09990 20.61923 
1 1 1  -39    5   68 f   99.072   8.7770   73.778   11.644   77.068   18.012   71.416   15.261  100.232   13.261   97.913   11.501 2.318748 17.55394 
1 1 1  -39    5   69 o   69.342   11.069   40.347   10.119   35.648   15.380   43.933   13.437   64.227   17.288   74.457   13.826 -10.22934 22.13724 
1 1 1  -39    5   70 o   57.231   15.462   27.366   12.275   0.0000   0.0000   27.366   12.275  ?   ?    57.231   15.462      ?      ? 
1 1 1  -39    5   71 o   47.110   15.818   18.361   11.919   0.0000   0.0000   18.361   11.919  ?   ?    47.110   15.818      ?      ? 
1 1 1  -39    5   72 o   95.242   11.797   68.813   15.225   0.0000   0.0000   68.813   15.225  ?   ?    95.242   11.797      ?      ? 
1 1 1  -39    5   73 o   55.312   16.187   26.589   12.906   0.0000   0.0000   26.589   12.906  ?   ?    55.312   16.187      ?      ? 
1 1 1  -39    5   74 o   57.676   16.151   29.134   13.126   0.0000   0.0000   29.134   13.126  ?   ?    57.676   16.151      ?      ? 
1 1 1  -39    6    1 o  181.739   5.8161  225.870   14.324   0.0000   0.0000  225.870   14.324  ?   ?   181.739   5.8161      ?      ? 
1 1 1  -39    6    2 o   75.384   6.2332   42.175   5.7765   31.453   9.7738   47.931   7.1610   67.106   10.748   83.662   6.3163 -16.55632 12.46640 
1 1 1  -39    6    3 o   49.628   7.7565   19.132   5.0215   12.075   8.4816   22.940   6.2308   41.545   13.311   57.711   7.9672 -16.16627 15.51307 
1 1 1  -39    6    4 o  139.493   4.6593  133.546   8.6812  131.790   13.412  134.812   11.389  138.569   7.1423  140.417   5.9851 -1.847610 9.318512 
1 1 1  -39    6    5 o   83.734   6.4570   48.393   7.3009   47.356   9.8734   49.644   10.845   82.807   8.7986   84.661   9.4527 -1.853668 12.91391 
1 1 1  -39    6    6 o   81.162   6.5422   45.205   7.1601   42.085   9.5629   49.186   10.802   78.038   9.0428   84.287   9.4568 -6.249947 13.08446 
1 1 1  -39    6    7 o   91.313   5.4873   57.774   6.6370   54.961   10.413   59.699   8.6131   89.277   8.6071   93.350   6.8087 -4.072693 10.97456 
1 1 1  -39    6    8 o   61.599   7.1797   27.410   5.6206   23.871   8.9060   29.752   7.2459   57.440   11.835   65.757   8.1315 -8.316261 14.35942 
1 1 1  -39    6    9 o  158.768   4.6766  173.665   9.9577  163.382   14.936  181.893   13.360  154.378   7.1394  163.159   6.0425 -8.780457 9.353239 
1 1 1  -39    6   10 o  117.662   4.9875   95.033   7.8754   93.620   11.949   96.119   10.471  116.791   7.5500  118.533   6.5191 -1.742020 9.974967 
1 1 1  -39    6   11 o  185.093   4.6667  234.372   11.644  234.661   17.379  234.137   15.686  185.105   6.9282  185.081   6.2540 0.2449036E-01 9.333376 
1 1 1  -39    6   12 o  182.727   5.4048  227.699   13.383  227.699   13.383   0.0000   0.0000  182.727   5.4048  ?   ?       ?      ? 
1 1 1  -39    6   13 o  135.609   5.5709  125.451   10.238  125.451   10.238   0.0000   0.0000  135.609   5.5709  ?   ?       ?      ? 
1 1 1  -39    6   14 o  199.352   5.2381  280.522   12.753  292.189   15.247  253.358   23.266  206.997   5.4356  191.706   8.9557 15.29134 10.47617 
1 1 1  -39    6   15 o  214.957   5.2568  321.203   13.784  327.208   16.362  306.522   25.584  219.036   5.5124  210.877   8.9527 8.159088 10.51367 
1 1 1  -39    6   16 o  115.932   5.5821   94.645   7.9109   98.062   9.4503   86.644   14.461  119.868   5.8178  111.996   9.5285 7.871735 11.16417 
1 1 1  -39    6   17 o   90.939   5.9349   55.138   6.7050   52.673   7.9400   61.266   12.518   87.752   6.6770   94.126   9.8138 -6.374077 11.86985 
1 1 1  -39    6   18 o   84.336   6.4046   50.085   6.6634   51.718   8.0041   46.398   12.027   86.940   6.7938   81.731   10.859 5.208435 12.80925 
1 1 1  -39    6   19 o   78.090   6.7351   43.831   6.4799   46.689   7.8540   37.738   11.467   82.579   7.0184   73.602   11.497 8.976433 13.47015 
1 1 1  -39    6   20 o   72.136   7.2999   38.150   6.3295   41.084   7.7409   32.230   10.994   77.422   7.3782   66.851   12.598 10.57040 14.59984 
1 1 1  -39    6   21 o   86.060   6.1947   49.850   6.8078   47.680   8.2573   54.454   12.029   83.414   7.3050   88.707   10.007 -5.292625 12.38948 
1 1 1  -39    6   22 o   81.596   7.4787   52.058   6.9438   60.784   8.4914   34.445   12.064   94.271   6.6469   68.922   13.399 25.34856 14.95730 
1 1 1  -39    6   23 o  102.145   6.1731   67.531   8.2838   52.911   10.343   93.683   13.834   87.658   8.7072  116.631   8.7529 -28.97233 12.34616 
1 1 1  -39    6   24 o  215.350   5.7993  320.969   16.505  329.293   21.287  308.418   26.137  219.241   7.1648  211.460   9.1209 7.781143 11.59855 
1 1 1  -39    6   25 o  193.718   5.3236  259.403   12.671  262.255   15.082  252.561   23.361  196.051   5.6769  191.385   9.0076 4.665710 10.64720 
1 1 1  -39    6   26 o  130.744   5.4795  114.669   8.9620  110.573   10.689  124.360   16.443  127.211   6.2008  134.278   9.0361 -7.067749 10.95907 
1 1 1  -39    6   27 o  187.062   5.2249  233.461   12.109  224.407   14.325  256.116   22.659  181.305   5.8306  192.819   8.6719 -11.51399 10.44978 
1 1 1  -39    6   28 o  184.446   5.4750  242.035   12.448  255.694   15.045  212.391   22.163  193.547   5.7361  175.345   9.3273 18.20233 10.94997 
1 1 1  -39    6   29 o  120.806   5.8049  102.979   8.7971  107.762   10.744   93.251   15.323  125.544   6.3153  116.068   9.7419 9.475372 11.60981 
1 1 1  -39    6   30 o  170.570   5.9035  198.719   13.646  198.719   13.646   0.0000   0.0000  170.570   5.9035  ?   ?       ?      ? 
1 1 1  -39    6   31 f   77.747   8.0033   41.572   8.4321   41.572   8.4321   0.0000   0.0000   77.747   8.0033  ?   ?       ?      ? 
1 1 1  -39    6   32 o   92.987   6.1640   55.911   7.4111   48.069   8.9920   72.521   13.087   83.601   7.9371  102.373   9.4332 -18.77146 12.32809 
1 1 1  -39    6   33 o   90.526   6.8804   57.164   8.2490   58.620   10.682   55.012   12.983   92.196   8.5501   88.856   10.782 3.339905 13.76079 
1 1 1  -39    6   34 o   85.205   7.1548   50.742   8.0800   51.988   10.477   48.913   12.693   86.741   8.9128   83.670   11.195 3.071083 14.30967 
1 1 1  -39    6   35 o  136.462   5.9081  127.801   10.699  125.425   13.746  131.452   17.042  135.090   7.5088  137.834   9.1237 -2.744186 11.81628 
1 1 1  -39    6   36 o   63.751   7.6689   29.057   6.3834   26.914   9.6116   30.749   8.5385   60.908   12.072   66.593   9.4616 -5.685394 15.33772 
1 1 1  -39    6   37 o   75.834   6.7026   40.462   6.7728   35.860   10.167   44.134   9.0814   71.708   10.462   79.960   8.3810 -8.252457 13.40529 
1 1 1  -39    6   38 o  187.611   4.8903  241.547   12.402  242.661   18.207  240.583   16.941  187.931   7.1491  187.291   6.6747 0.6399078 9.780669 
1 1 1  -39    6   39 o  186.823   4.9187  240.505   12.407  227.382   18.007  252.364   17.118  181.825   7.3082  191.821   6.5852 -9.996338 9.837413 
1 1 1  -39    6   40 o  146.123   5.0991  147.404   10.044  140.519   14.767  153.330   13.701  142.806   7.6308  149.440   6.7658 -6.633881 10.19830 
1 1 1  -39    6   41 o  165.203   6.1434  185.903   12.633  197.317   23.243  181.117   15.051  168.046   10.206  162.359   6.8408 5.686508 12.28689 
1 1 1  -39    6   42 o  203.157   4.9631  283.384   13.629  291.081   20.107  276.843   18.537  205.617   7.2161  200.697   6.8159 4.919937 9.926165 
1 1 1  -39    6   43 o  168.203   6.3853  199.242   13.219  190.330   24.124  203.067   15.803  164.549   10.819  171.857   6.7855 -7.308472 12.77059 
1 1 1  -39    6   44 o   95.068   8.1481   66.826   9.2439   57.256   17.115   70.768   10.984   89.008   14.189  101.129   8.0149 -12.12121 16.29628 
1 1 1  -39    6   45 o  111.530   7.0050   81.696   9.6609  100.763   18.536   74.584   11.320  119.289   11.467  103.771   8.0498 15.51840 14.01009 
1 1 1  -39    6   46 o  117.911   5.5415   96.127   8.8076   97.541   13.189   94.988   11.833  118.571   8.2083  117.252   7.4470 1.319542 11.08302 
1 1 1  -39    6   47 o   43.219   10.699   12.843   7.6398   14.149   9.5410   10.510   12.754   44.192   14.113   42.247   16.084 1.944939 21.39799 
1 1 1  -39    6   48 o   82.693   6.7637   47.071   7.4942   54.019   11.721   42.267   9.7465   87.669   9.8663   77.717   9.2545 9.951965 13.52737 
1 1 1  -39    6   49 o  172.837   5.0723  206.318   11.843  209.520   17.511  203.618   16.077  173.946   7.4288  171.729   6.9084 2.217407 10.14463 
1 1 1  -39    6   50 o  153.090   5.1528  162.196   10.647  163.382   15.797  161.208   14.413  153.460   7.5960  152.720   6.9645 0.7399597 10.30551 
1 1 1  -39    6   51 o  107.237   5.7832   79.692   8.3685   85.240   12.557   75.258   11.225  110.498   8.3856  103.976   7.9665 6.521866 11.56646 
1 1 1  -39    6   52 o  181.056   5.1208  228.352   12.503  207.665   17.945  247.872   17.431  172.801   7.6631  189.311   6.7948 -16.50981 10.24168 
1 1 1  -39    6   53 o  172.036   5.1280  205.830   11.925  199.436   17.313  211.602   16.450  169.319   7.5452  174.753   6.9464 -5.434341 10.25591 
1 1 1  -39    6   54 o  112.709   5.7702   89.524   8.7400   81.558   12.807   96.468   11.958  107.703   8.7744  117.714   7.4960 -10.01017 11.54040 
1 1 1  -39    6   55 o  113.367   5.6765   90.041   8.6900   88.710   12.776   91.187   11.855  112.422   8.3862  114.313   7.6526 -1.891037 11.35303 
1 1 1  -39    6   56 o  155.777   6.2755  168.762   12.326  178.431   22.095  164.393   14.852  157.857   10.329  153.697   7.1306 4.160034 12.55100 
1 1 1  -39    6   57 o  149.400   7.1545  157.526   14.380  183.760   21.865  137.530   19.089  160.243   10.069  138.556   10.167 21.68623 14.30900 
1 1 1  -39    6   58 o   31.690   9.3849   2.9133   6.7213   2.8122   8.9188   3.0463   10.225   30.788   12.845   32.592   13.686 -1.803709 18.76974 
1 1 1  -39    6   59 o   83.022   7.5582   48.898   8.4049   43.512   10.918   56.733   13.168   77.677   10.372   88.367   10.996 -10.68928 15.11647 
1 1 1  -39    6   60 o  106.734   6.8823   81.850   9.7292   82.427   12.556   80.984   15.392  107.859   8.5901  105.609   10.755 2.249886 13.76452 
1 1 1  -39    6   61 o  129.871   7.7407  123.305   13.443  100.158   18.722  147.936   19.313  116.448   11.864  143.294   9.9457 -26.84601 15.48148 
1 1 1  -39    6   62 o  150.009   10.278  163.120   20.893  163.120   20.893   0.0000   0.0000  150.009   10.278  ?   ?       ?      ? 
1 1 1  -39    6   63 o   46.773   13.789   17.228   9.3347   17.228   9.3347   0.0000   0.0000   46.773   13.789  ?   ?       ?      ? 
1 1 1  -39    6   64 o   74.883   10.814   43.838   10.488   55.319   16.553   36.139   13.556   83.047   15.271   66.719   15.317 16.32806 21.62889 
1 1 1  -39    6   65 o   67.941   10.896   36.797   9.7242   44.598   15.128   31.304   12.694   73.978   15.583   61.905   15.235 12.07251 21.79275 
1 1 1  -39    6   66 o  140.104   7.6606  145.461   14.409  135.962   21.361  153.393   19.518  134.968   11.679  145.239   9.9169 -10.27074 15.32118 
1 1 1  -39    6   67 o  102.046   9.7505   85.244   12.028   53.763   17.725  112.110   16.374   79.883   16.901  124.210   9.7279 -44.32706 19.50098 
1 1 1  -39    6   68 o   60.842   11.633   30.388   9.8077   40.243   15.391   23.651   12.726   68.786   16.683   52.897   16.216 15.88947 23.26546 
1 1 1  -39    6   69 o   76.441   10.926   50.730   10.957   32.423   16.558   64.991   14.615   59.904   18.519   92.978   11.599 -33.07390 21.85188 
1 1 1  -39    6   70 o  120.821   10.784  108.617   17.657   0.0000   0.0000  108.617   17.657  ?   ?   120.821   10.784      ?      ? 
1 1 1  -39    6   71 o   95.837   12.209   70.382   15.856   0.0000   0.0000   70.382   15.856  ?   ?    95.837   12.209      ?      ? 
1 1 1  -39    6   72 f   88.832   12.535   61.180   15.090   0.0000   0.0000   61.180   15.090  ?   ?    88.832   12.535      ?      ? 
1 1 1  -39    6   73 o   88.683   12.802   61.694   15.386   0.0000   0.0000   61.694   15.386  ?   ?    88.683   12.802      ?      ? 
1 1 1  -39    6   74 o   66.636   16.251   39.193   14.543   0.0000   0.0000   39.193   14.543  ?   ?    66.636   16.251      ?      ? 
1 1 1  -39    7    1 o  140.138   4.4443  135.473   8.2365  131.126   13.049  138.352   10.619  138.060   6.9746  142.217   5.5102 -4.156662 8.888624 
1 1 1  -39    7    2 o  119.983   4.6196   99.068   7.2741   97.799   11.821   99.841   9.2280  119.166   7.3203  120.801   5.6371 -1.635292 9.239222 
1 1 1  -39    7    3 o  170.907   4.4368  199.646   10.125  203.732   15.791  196.793   13.194  172.226   6.7658  169.589   5.7413 2.637039 8.873521 
1 1 1  -39    7    4 o   81.958   5.2948   45.702   5.6582   48.300   9.4921   44.270   7.0470   83.576   8.3810   80.341   6.4727 3.235672 10.58953 
1 1 1  -39    7    5 o  132.054   4.5785  118.260   8.0511  126.479   12.794  112.873   10.359  135.689   6.9581  128.419   5.9528 7.270676 9.156995 
1 1 1  -39    7    6 o   83.642   5.5417   49.868   5.9991   41.642   9.5499   55.231   7.7103   77.503   9.0928   89.781   6.3373 -12.27809 11.08337 
1 1 1  -39    7    7 f  118.375   4.8176   95.413   7.6304  100.724   11.897   91.701   9.9452  121.053   7.2527  115.697   6.3432 5.355377 9.635205 
1 1 1  -39    7    8 o  178.986   5.3742  219.485   12.806  215.373   16.561  225.602   20.198  177.152   6.8984  180.821   8.2427 -3.668243 10.74848 
1 1 1  -39    7    9 o  165.279   5.4310  188.415   11.970  190.454   15.651  185.541   18.579  166.596   6.9326  163.963   8.3619 2.632217 10.86194 
1 1 1  -39    7   10 o  147.461   4.7202  148.303   9.3421  154.355   14.352  143.854   12.306  149.957   7.0628  144.966   6.2642 4.991470 9.440495 
1 1 1  -39    7   11 o  250.828   5.3700  444.027   16.445  460.424   19.636  405.510   30.095  259.635   5.5810  242.021   9.1760 17.61354 10.73998 
1 1 1  -39    7   12 o  210.957   5.1210  309.879   13.210  315.903   15.709  295.339   24.407  215.128   5.3886  206.786   8.7099 8.342361 10.24205 
1 1 1  -39    7   13 o   98.679   5.3357   65.369   6.6365   62.817   7.9602   71.186   12.018   95.832   6.1296  101.526   8.7355 -5.693703 10.67148 
1 1 1  -39    7   14 o  102.072   5.9200   71.213   8.1887   71.213   8.1887   0.0000   0.0000  102.072   5.9200  ?   ?       ?      ? 
1 1 1  -39    7   15 o  164.519   5.4424  184.744   12.134  184.744   12.134   0.0000   0.0000  164.519   5.4424  ?   ?       ?      ? 
1 1 1  -39    7   16 o   85.323   6.1815   52.806   6.4403   56.888   7.7884   43.980   11.453   91.183   6.3031   79.463   10.636 11.71988 12.36303 
1 1 1  -39    7   17 o   35.553   8.3203   5.7531   4.8071   1.1291   5.8447   15.421   8.4514   25.015   10.414   46.091   12.979 -21.07585 16.64060 
1 1 1  -39    7   18 o   88.089   5.8769   52.857   6.5222   51.829   7.8554   55.139   11.702   86.988   6.6639   89.191   9.6820 -2.203163 11.75370 
1 1 1  -39    7   19 o   94.643   5.8171   60.899   6.9279   59.576   8.3310   63.864   12.474   93.274   6.5910   96.011   9.5871 -2.736450 11.63420 
1 1 1  -39    7   20 o   85.636   6.1823   50.752   6.5684   50.959   7.8616   50.275   11.954   86.246   6.7264   85.026   10.375 1.220703 12.36464 
1 1 1  -39    7   21 o   87.658   6.1592   53.226   6.7509   53.548   8.1328   52.511   12.106   88.401   6.7889   86.915   10.279 1.485878 12.31832 
1 1 1  -39    7   22 o   26.228   7.9975  -0.1493   5.0021   0.4141   6.2255  -1.1756   8.4025   24.985   10.595   27.471   11.983 -2.485680 15.99500 
1 1 1  -39    7   23 o  100.944   5.6580   68.722   7.2737   66.130   8.8100   74.273   12.892   98.262   6.6162  103.625   9.1803 -5.363014 11.31602 
1 1 1  -39    7   24 o  158.692   5.1306  167.815   10.158  160.390   12.068  185.863   18.813  153.213   5.8122  164.170   8.4564 -10.95700 10.26125 
1 1 1  -39    7   25 o   92.382   6.7342   59.069   8.3887   58.438   11.290   59.847   12.534   91.929   9.0627   92.836   9.9631 -0.9072037 13.46831 
1 1 1  -39    7   26 o   94.176   7.7804   60.635   9.8227   71.894   15.288   52.719   12.819  101.435   11.122   86.918   10.883 14.51749 15.56081 
1 1 1  -39    7   27 o  215.354   5.6259  317.619   15.811  313.078   19.791  325.629   26.287  213.686   6.8346  217.021   8.9382 -3.335190 11.25176 
1 1 1  -39    7   28 o  227.758   5.7991  364.249   17.220  385.182   21.965  330.865   27.739  237.000   6.8390  218.516   9.3674 18.48477 11.59828 
1 1 1  -39    7   29 o  136.768   5.9880  132.639   10.694  145.673   13.861  113.474   16.809  145.689   7.0210  127.846   9.7021 17.84395 11.97604 
1 1 1  -39    7   30 o  156.948   5.3448  167.285   10.564  163.691   12.713  175.306   18.993  154.676   6.0649  159.219   8.8026 -4.542664 10.68965 
1 1 1  -39    7   31 o  174.499   5.9124  208.268   13.981  208.268   13.981   0.0000   0.0000  174.499   5.9124  ?   ?       ?      ? 
1 1 1  -39    7   32 o  112.478   6.6197   86.754   10.090   86.754   10.090   0.0000   0.0000  112.478   6.6197  ?   ?       ?      ? 
1 1 1  -39    7   33 o   91.292   6.5235   58.760   7.5172   60.581   9.1931   55.086   13.059   93.872   7.2267   88.712   10.863 5.160439 13.04699 
1 1 1  -39    7   34 o  139.453   5.5336  134.413   9.6645  134.981   11.651  133.162   17.303  140.392   6.1242  138.515   9.2182 1.876724 11.06710 
1 1 1  -39    7   35 o   88.244   5.9344   53.640   7.0715   56.259   10.539   51.495   9.5368   90.145   8.6277   86.342   8.1507 3.802788 11.86888 
1 1 1  -39    7   36 o  180.848   4.8212  223.826   11.785  236.581   17.443  213.113   15.986  185.526   6.9381  176.170   6.6961 9.356232 9.642371 
1 1 1  -39    7   37 o  117.979   5.3196   96.964   8.4072   86.457   12.400  105.903   11.437  111.816   8.1836  124.142   6.7986 -12.32541 10.63919 
1 1 1  -39    7   38 o  141.758   5.0625  137.803   9.6694  143.378   14.587  133.433   12.915  144.207   7.4643  139.308   6.8410 4.898712 10.12503 
1 1 1  -39    7   39 o  154.175   6.4885  175.122   12.126  141.876   21.594  190.434   14.655  141.835   11.235  166.514   6.4946 -24.67891 12.97700 
1 1 1  -39    7   40 o   83.708   9.0811   56.029   8.5303   39.364   15.581   63.163   10.194   71.847   16.368   95.570   7.8710 -23.72236 18.16230 
1 1 1  -39    7   41 o  132.361   6.9785  125.368   10.955  116.765   21.027  128.574   12.835  128.091   12.114  136.632   6.9322 -8.540710 13.95708 
1 1 1  -39    7   42 o  141.958   6.3845  136.653   11.197  149.963   21.016  131.378   13.231  145.884   10.631  138.031   7.0732 7.853088 12.76893 
1 1 1  -39    7   43 o  254.922   5.1308  449.417   17.697  431.265   25.371  466.620   24.699  249.740   7.4966  260.105   7.0072 -10.36545 10.26154 
1 1 1  -39    7   44 o  231.777   5.0610  370.289   15.857  381.204   23.384  360.995   21.577  234.815   7.3486  228.740   6.9608 6.074326 10.12203 
1 1 1  -39    7   45 o  118.900   5.5976   99.085   8.9190   89.246   13.183  107.391   12.112  113.148   8.5975  124.651   7.1704 -11.50316 11.19512 
1 1 1  -39    7   46 o  139.902   5.2324  135.837   9.8674  132.471   14.618  138.654   13.374  138.135   7.8091  141.670   6.9663 -3.535110 10.46478 
1 1 1  -39    7   47 o   68.612   9.6422   35.950   8.3740   38.486   10.456   31.416   13.983   73.695   10.470   63.528   16.194 10.16714 19.28438 
1 1 1  -39    7   48 o   88.785   8.0953   56.840   9.2068   57.772   11.393   55.086   15.630   90.663   9.2731   86.907   13.272 3.756256 16.19061 
1 1 1  -39    7   49 f   82.918   6.4939   48.170   7.2455   49.898   10.989   46.840   9.6367   84.072   9.6458   81.763   8.6974 2.309021 12.98789 
1 1 1  -39    7   50 o   34.632   9.1965   6.2304   5.9205   10.971   9.1395   2.8028   7.7716   39.775   13.838   29.488   12.117 10.28687 18.39300 
1 1 1  -39    7   51 o   80.698   6.4631   45.332   7.0204   52.961   10.599   39.369   9.3710   86.711   9.0197   74.685   9.2592 12.02671 12.92624 
1 1 1  -39    7   52 o   61.556   8.1585   29.026   6.4780   20.108   9.6023   36.474   8.7759   51.201   13.607   71.910   9.0057 -20.70883 16.31707 
1 1 1  -39    7   53 o   85.224   7.6518   52.326   8.6797   52.740   11.314   51.733   13.532   86.123   9.6942   84.326   11.841 1.796768 15.30352 
1 1 1  -39    7   54 o  100.884   7.0354   74.013   9.3350   79.707   12.171   65.877   14.548  106.410   8.4402   95.357   11.258 11.05307 14.07083 
1 1 1  -39    7   55 o   68.670   8.6748   34.265   7.7665   25.257   10.236   46.485   11.923   57.202   13.434   80.138   10.979 -22.93635 17.34958 
1 1 1  -39    7   56 o   40.332   10.812   9.5076   8.0800   15.660   12.875   5.5106   10.378   45.879   16.384   34.784   14.113 11.09523 21.62395 
1 1 1  -39    7   57 o  142.075   7.1984  145.604   13.776  142.939   20.494  147.801   18.608  140.383   10.773  143.766   9.5510 -3.382996 14.39689 
1 1 1  -39    7   58 o  103.597   6.8215   77.350   9.3392   78.930   12.052   74.976   14.777  105.607   8.4210  101.586   10.734 4.021385 13.64295 
1 1 1  -39    7   59 o  138.526   6.1266  134.938   11.210  130.211   14.241  142.638   18.176  136.026   7.7258  141.025   9.5108 -4.998917 12.25328 
1 1 1  -39    7   60 o   45.901   10.060   16.789   7.0619   19.885   9.1977   12.344   11.022   50.363   13.285   41.438   15.110 8.925213 20.12017 
1 1 1  -39    7   61 f   69.444   10.505   38.966   9.4950   36.001   14.593   41.143   12.504   65.920   16.402   72.968   13.128 -7.047348 21.00903 
1 1 1  -39    7   62 o  104.650   12.190   81.990   17.288   81.990   17.288   0.0000   0.0000  104.650   12.190  ?   ?       ?      ? 
1 1 1  -39    7   63 o   51.858   11.271   19.949   9.2142   34.875   14.437   9.6910   11.969   64.521   16.459   39.195   15.401 25.32645 22.54117 
1 1 1  -39    7   64 o   39.288   10.809   7.3704   8.5299   18.488   13.554   0.0794   10.976   47.760   16.836   30.816   13.561 16.94354 21.61874 
1 1 1  -39    7   65 o   29.674   9.4284  -2.0122   7.8907  -5.5000   12.455   0.3262   10.198   29.370   13.529   29.979   13.135 -0.6086006 18.85686 
1 1 1  -39    7   66 f   58.112   11.686   28.163   9.5858   34.437   14.827   23.656   12.565   63.260   16.952   52.964   16.089 10.29670 23.37112 
1 1 1  -39    7   67 f   48.542   11.612   19.659   9.5350   11.981   14.234   25.909   12.842   41.914   16.692   55.169   16.147 -13.25527 23.22396 
1 1 1  -39    7   68 o   88.335   13.169   60.581   15.764   0.0000   0.0000   60.581   15.764  ?   ?    88.335   13.169      ?      ? 
1 1 1  -39    7   71 o   56.969   16.668   28.942   13.686   0.0000   0.0000   28.942   13.686  ?   ?    56.969   16.668      ?      ? 
1 1 1  -39    7   72 o   45.483   16.209   17.769   12.596   0.0000   0.0000   17.769   12.596  ?   ?    45.483   16.209      ?      ? 
1 1 1  -39    7   73 o   85.721   13.332   59.102   15.487   0.0000   0.0000   59.102   15.487  ?   ?    85.721   13.332      ?      ? 
1 1 1  -39    7   74 o   45.657   16.892   18.734   13.853   0.0000   0.0000   18.734   13.853  ?   ?    45.657   16.892      ?      ? 
1 1 1  -39    8    1 o  112.859   4.6098   87.974   6.7208   86.532   11.311   88.760   8.3556  111.873   7.4611  113.844   5.4161 -1.970680 9.219675 
1 1 1  -39    8    2 o   93.192   5.8289   60.358   7.3412   65.580   10.406   55.184   10.358   97.303   7.8920   89.082   8.5803 8.221680 11.65787 
1 1 1  -39    8    3 o  143.406   5.2864  141.531   10.202  137.729   13.569  146.473   15.471  141.339   7.0846  145.473   7.8481 -4.133224 10.57280 
1 1 1  -39    8    4 o  121.314   4.6603  101.766   7.4005   98.918   12.050  103.491   9.3773  119.703   7.4285  122.924   5.6293 -3.221077 9.320527 
1 1 1  -39    8    5 o   56.399   7.0082   22.994   4.8002   21.672   8.5607   23.600   5.7974   54.302   11.957   58.496   7.3135 -4.194420 14.01636 
1 1 1  -39    8    6 o   82.120   5.3548   42.829   5.7019   61.128   9.9843   33.973   6.9460   94.041   7.8346   70.198   7.3017 23.84216 10.70963 
1 1 1  -39    8    7 o  118.111   4.8568   98.359   7.4747   86.035   11.910  106.368   9.6008  111.575   7.8772  124.647   5.6839 -13.07201 9.713696 
1 1 1  -39    8    8 o   96.212   5.1302   63.496   6.5180   64.972   10.515   62.574   8.3063   96.945   8.0040   95.478   6.4197 1.466873 10.26043 
1 1 1  -39    8    9 o  162.222   4.6188  179.691   10.030  186.896   15.567  174.576   13.115  164.840   6.9688  159.604   6.0637 5.236404 9.237620 
1 1 1  -39    8   10 o   91.630   6.2236   58.414   7.6983   60.788   10.582   55.745   11.220   93.724   8.3320   89.536   9.2471 4.187523 12.44713 
1 1 1  -39    8   11 o  132.984   5.5755  121.810   9.9716  119.892   13.265  124.302   15.120  131.924   7.4200  134.044   8.3239 -2.120117 11.15092 
1 1 1  -39    8   12 o  188.203   4.9779  242.089   11.569  239.995   13.753  247.159   21.398  187.381   5.4161  189.025   8.3536 -1.643890 9.955737 
1 1 1  -39    8   13 o  211.392   5.0786  307.863   13.226  308.519   15.740  306.285   24.400  212.446   5.4671  210.338   8.5602 2.107849 10.15714 
1 1 1  -39    8   14 o   92.620   5.5610   57.920   6.4921   55.837   7.7937   62.642   11.734   90.241   6.3732   94.998   9.1148 -4.756226 11.12193 
1 1 1  -39    8   15 o  102.211   5.5632   71.209   7.4735   68.667   9.4071   75.558   12.306   99.968   6.9440  104.454   8.6936 -4.485458 11.12645 
1 1 1  -39    8   16 o  118.621   6.7502   96.601   10.851   96.601   10.851   0.0000   0.0000  118.621   6.7502  ?   ?       ?      ? 
1 1 1  -39    8   17 o   74.044   8.1533   37.861   8.1810   37.861   8.1810   0.0000   0.0000   74.044   8.1533  ?   ?       ?      ? 
1 1 1  -39    8   18 o   73.378   6.7539   36.464   6.5569   33.222   8.2760   41.928   10.746   69.251   8.8189   77.504   10.232 -8.253151 13.50786 
1 1 1  -39    8   19 o   69.670   7.3643   35.310   6.5318   39.382   8.5611   29.637   10.104   75.481   8.3696   63.859   12.120 11.62180 14.72864 
1 1 1  -39    8   20 o   71.922   7.5561   38.432   6.7650   44.416   8.7662   29.620   10.637   80.218   8.0642   63.627   12.781 16.59026 15.11216 
1 1 1  -39    8   21 o   61.138   7.9021   28.083   5.8703   30.593   7.1666   22.964   10.234   66.593   7.9416   55.684   13.664 10.90864 15.80418 
1 1 1  -39    8   22 o   66.664   7.0348   30.544   6.0431   29.611   7.4247   32.373   10.402   65.448   8.3714   67.879   11.308 -2.430862 14.06955 
1 1 1  -39    8   23 o  125.037   5.3385  107.703   8.4328  107.740   10.230  107.625   14.895  125.441   6.0181  124.633   8.8193 0.8085938 10.67699 
1 1 1  -39    8   24 o  103.042   5.6524   72.691   7.4246   71.546   9.0471   75.051   12.993  102.123   6.5374  103.962   9.2229 -1.838715 11.30480 
1 1 1  -39    8   25 o  104.651   5.6446   73.367   7.5233   69.351   9.0821   82.147   13.430  100.515   6.6677  108.788   9.1097 -8.273666 11.28917 
1 1 1  -39    8   26 o  222.669   5.7233  338.626   16.873  325.130   21.488  360.333   27.251  217.345   7.2955  227.992   8.8204 -10.64720 11.44656 
1 1 1  -39    8   27 o  186.521   5.6948  238.731   14.165  231.723   18.346  249.075   22.290  183.439   7.3800  189.603   8.6752 -6.163467 11.38962 
1 1 1  -39    8   28 o  126.808   5.4735  110.422   8.7828  109.504   10.648  112.375   15.535  126.389   6.2169  127.226   9.0105 -0.8377304 10.94705 
1 1 1  -39    8   29 o   96.028   6.0892   63.428   7.4832   62.461   9.1571   65.371   12.984   95.279   7.0921   96.777   9.9003 -1.498184 12.17839 
1 1 1  -39    8   30 o  156.754   5.3568  170.026   10.564  171.008   12.788  167.915   18.744  157.990   5.9731  155.517   8.8940 2.473053 10.71356 
1 1 1  -39    8   31 o   82.146   7.5676   51.643   7.3969   60.012   9.2726   36.998   12.266   93.320   7.3324   70.972   13.240 22.34825 15.13520 
1 1 1  -39    8   32 o  127.019   6.4265  110.771   11.062  110.771   11.062   0.0000   0.0000  127.019   6.4265  ?   ?       ?      ? 
1 1 1  -39    8   33 o   74.105   10.433   38.538   10.477   38.538   10.477   0.0000   0.0000   74.105   10.433  ?   ?       ?      ? 
1 1 1  -39    8   34 o   43.968   9.7981   13.290   6.7759   7.8384   9.2949   19.474   9.8987   36.832   13.795   51.104   13.918 -14.27173 19.59622 
1 1 1  -39    8   35 o  119.507   6.3491  100.495   10.124  107.008   13.491   92.098   15.317  124.315   8.0082  114.699   9.8545 9.616295 12.69810 
1 1 1  -39    8   36 o  126.527   5.7275  110.276   9.1690  109.052   11.110  112.890   16.236  125.935   6.5101  127.120   9.4253 -1.184303 11.45505 
1 1 1  -39    8   37 o   85.669   6.7323   50.750   7.3246   49.659   8.8874   53.061   12.933   84.706   7.7424   86.633   11.016 -1.926804 13.46453 
1 1 1  -39    8   38 o  105.801   5.5874   77.782   7.9708   75.323   11.763   79.870   10.839  104.117   8.3368  107.485   7.4413 -3.368652 11.17476 
1 1 1  -39    8   39 o   96.642   5.9088   64.347   7.6730   69.453   11.794   60.599   10.104   99.826   8.7181   93.458   7.9779 6.368210 11.81751 
1 1 1  -39    8   40 o  120.379   5.4142  100.602   8.7613   98.819   13.181  102.014   11.727  119.241   8.1572  121.517   7.1213 -2.275871 10.82835 
1 1 1  -39    8   41 o  149.750   5.1017  154.857   10.295  157.296   15.445  152.906   13.810  150.659   7.5652  148.842   6.8467 1.816956 10.20344 
1 1 1  -39    8   42 o  164.078   6.3136  188.828   12.759  187.123   23.464  189.544   15.203  162.448   10.659  165.707   6.7705 -3.258743 12.62711 
1 1 1  -39    8   43 o  128.981   5.2865  114.588   9.1905  122.832   13.891  108.171   12.256  132.985   7.7082  124.977   7.2369 8.007591 10.57299 
1 1 1  -39    8   44 o  169.213   5.0015  197.208   11.411  208.171   17.181  188.555   15.265  173.272   7.3170  165.154   6.8207 8.118805 10.00301 
1 1 1  -39    8   45 o  151.404   5.1111  158.959   10.431  159.045   15.564  158.889   14.056  151.261   7.5928  151.546   6.8443 -0.2848663 10.22226 
1 1 1  -39    8   46 o   86.257   6.3310   52.057   7.3641   54.597   11.068   50.040   9.8644   88.021   9.2791   84.492   8.6153 3.528877 12.66196 
1 1 1  -39    8   47 o  181.787   6.1976  228.997   14.481  222.265   17.752  242.384   25.033  178.825   7.3255  184.749   9.9988 -5.924393 12.39513 
1 1 1  -39    8   48 o  124.914   6.8961  114.810   10.920  124.758   13.667   97.248   18.159  133.815   7.5370  116.013   11.551 17.80180 13.79213 
1 1 1  -39    8   49 o   81.038   6.7436   48.148   7.1113   35.270   10.452   59.246   9.7030   69.991   11.020   92.086   7.7756 -22.09431 13.48722 
1 1 1  -39    8   50 o   83.319   7.4184   49.691   8.2468   49.181   10.753   50.420   12.851   83.202   9.5372   83.436   11.366 -0.2347260 14.83687 
1 1 1  -39    8   51 o   65.872   9.2338   35.767   7.9220   48.480   10.474   18.772   12.110   82.616   9.3554   49.129   15.923 33.48709 18.46761 
1 1 1  -39    8   52 o  142.195   6.1231  143.669   11.524  147.019   14.912  138.701   18.158  144.940   7.5920  139.451   9.6088 5.488663 12.24616 
1 1 1  -39    8   53 o   87.830   7.2891   54.659   8.5906   49.463   11.230   61.990   13.338   83.040   9.9795   92.619   10.627 -9.579338 14.57824 
1 1 1  -39    8   54 o  154.156   5.9928  166.700   12.248  161.664   15.681  174.581   19.617  151.809   7.6223  156.502   9.2496 -4.692398 11.98559 
1 1 1  -39    8   55 f  145.531   6.0896  150.128   11.731  150.025   15.082  150.287   18.664  146.172   7.6142  144.889   9.5057 1.282578 12.17925 
1 1 1  -39    8   56 o   54.927   9.7484   24.689   8.5766   6.3729   13.173   38.165   11.299   37.848   15.685   72.006   11.580 -34.15811 19.49672 
1 1 1  -39    8   57 o   49.531   11.073   18.238   8.4212   27.907   13.385   11.903   10.834   58.147   16.319   40.916   14.972 17.23104 22.14690 
1 1 1  -39    8   58 o   75.289   10.218   44.100   9.8901   48.696   15.676   41.062   12.747   77.856   15.404   72.722   13.430 5.134361 20.43589 
1 1 1  -39    8   59 o   96.790   9.1880   73.797   11.161   57.234   16.976   86.409   14.813   84.413   15.408  109.167   10.013 -24.75401 18.37597 
1 1 1  -39    8   60 o   69.569   10.719   38.943   9.6711   40.463   15.266   37.925   12.499   69.742   16.424   69.396   13.777 0.3458023 21.43727 
1 1 1  -39    8   61 o   58.323   11.209   28.279   9.0093   28.076   14.095   28.419   11.715   57.446   16.946   59.199   14.676 -1.752869 22.41770 
1 1 1  -39    8   62 o   60.842   17.351   31.956   15.006   31.956   15.006   0.0000   0.0000   60.842   17.351  ?   ?       ?      ? 
1 1 1  -39    8   63 o   72.227   10.968   44.242   10.506   33.578   16.203   51.978   13.800   61.588   18.170   82.866   12.289 -21.27846 21.93568 
1 1 1  -39    8   64 o   54.525   11.727   25.436   9.3804   24.999   14.606   25.744   12.238   53.646   17.492   55.405   15.624 -1.758587 23.45414 
1 1 1  -39    8   65 o   30.579   9.7215  -1.7341   8.2408  -0.0004   13.064  -2.8800   10.621   32.838   14.606   28.321   12.834 4.516153 19.44291 
1 1 1  -39    8   66 o   95.599   9.2695   71.468   11.838   66.283   17.752   75.619   15.886   91.236   14.359   99.962   11.727 -8.725952 18.53900 
1 1 1  -39    8   67 o   91.638   9.3779   66.051   11.549   60.733   16.850   70.764   15.862   87.176   14.263   96.101   12.180 -8.924713 18.75589 
1 1 1  -39    8   68 o   37.861   10.996   8.4765   9.0499   7.9358   12.873   9.0048   12.725   37.502   15.521   38.221   15.581 -0.7184334 21.99257 
1 1 1  -39    8   69 o   71.601   15.436   43.566   14.536   0.0000   0.0000   43.566   14.536  ?   ?    71.601   15.436      ?      ? 
1 1 1  -39    8   70 o   65.260   16.125   37.464   14.178   0.0000   0.0000   37.464   14.178  ?   ?    65.260   16.125      ?      ? 
1 1 1  -39    8   71 o   61.586   16.796   34.605   14.405   0.0000   0.0000   34.605   14.405  ?   ?    61.586   16.796      ?      ? 
1 1 1  -39    8   72 o   38.160   15.833   9.6048   13.445   0.0000   0.0000   9.6048   13.445  ?   ?    38.160   15.833      ?      ? 
1 1 1  -39    8   73 o   29.501   13.670  -4.0343   12.990   0.0000   0.0000  -4.0343   12.990  ?   ?    29.501   13.670      ?      ? 
1 1 1  -39    9    1 o   82.023   4.9327   42.950   5.0809   56.389   9.5769   37.685   5.9939   90.036   7.8492   74.009   5.9765 16.02742 9.865494 
1 1 1  -39    9    2 o  112.985   5.2465   88.504   8.0329   89.090   11.382   87.922   11.339  113.362   7.4091  112.609   7.4304 0.7531281 10.49309 
1 1 1  -39    9    3 o  123.854   4.4865  104.842   7.2196  108.566   12.154  102.812   8.9746  125.264   7.1597  122.445   5.4087 2.819382 8.973046 
1 1 1  -39    9    4 o  129.937   4.4915  116.739   7.6377  114.360   12.468  118.169   9.6630  128.592   7.1550  131.281   5.4316 -2.688446 8.983072 
1 1 1  -39    9    5 o   96.978   5.8123   64.730   7.5916   56.110   10.196   75.453   11.372   89.760   8.3826  104.197   8.0538 -14.43640 11.62458 
1 1 1  -39    9    6 o  162.107   4.4944  181.334   9.6716  178.375   15.222  183.337   12.525  160.734   6.9884  163.481   5.6535 -2.747086 8.988894 
1 1 1  -39    9    7 o  144.306   4.5816  142.742   8.7622  146.321   14.001  140.437   11.234  145.559   7.0981  143.053   5.7951 2.505676 9.163285 
1 1 1  -39    9    8 o  128.874   4.7062  114.698   8.0195  113.037   12.770  115.780   10.305  127.863   7.3698  129.885   5.8548 -2.021912 9.412322 
1 1 1  -39    9    9 o  138.301   4.6844  133.223   8.5898  123.530   13.329  140.107   11.233  133.691   7.3573  142.911   5.8005 -9.219772 9.368876 
1 1 1  -39    9   10 o  208.733   4.9576  300.518   12.757  300.541   15.181  300.460   23.530  209.517   5.3469  207.949   8.3500 1.568497 9.915221 
1 1 1  -39    9   11 o  108.446   5.2350   83.713   7.0459   87.902   8.5457   74.822   12.452  113.268   5.5675  103.625   8.8670 9.643066 10.46999 
1 1 1  -39    9   12 o   71.632   6.2676   36.531   5.5881   37.891   6.7705   33.625   9.8972   74.183   6.7349   69.081   10.572 5.102005 12.53521 
1 1 1  -39    9   13 o  136.239   5.5930  129.721   10.196  137.880   13.671  119.497   15.304  141.384   7.1355  131.094   8.6147 10.29070 11.18608 
1 1 1  -39    9   14 o  143.673   5.0164  142.798   8.9514  143.532   10.725  141.112   16.253  144.790   5.4659  142.556   8.4130 2.233643 10.03271 
1 1 1  -39    9   15 o   62.522   7.2328   27.670   5.5493   27.349   6.7155   28.360   9.8540   62.856   7.8840   62.189   12.128 0.6672745 14.46570 
1 1 1  -39    9   16 o  120.740   5.1679  100.380   7.7523  100.044   9.2705  101.162   14.137  120.843   5.6611  120.638   8.6475 0.2057037 10.33574 
1 1 1  -39    9   17 o   99.764   5.7686   72.791   7.0381   79.184   8.5521   59.376   12.389  107.467   5.8724   92.060   9.9309 15.40710 11.53724 
1 1 1  -39    9   18 o   78.822   7.0223   42.810   7.5009   42.810   7.5009   0.0000   0.0000   78.822   7.0223  ?   ?       ?      ? 
1 1 1  -39    9   19 o   48.800   8.2998   18.943   5.4583   22.703   6.6017   10.820   9.7039   57.176   8.5203   40.424   14.246 16.75259 16.59965 
1 1 1  -39    9   20 o   40.462   9.0557   11.382   5.3021   10.945   6.4177   12.323   9.4104   38.917   11.422   42.008   14.056 -3.090649 18.11135 
1 1 1  -39    9   21 o   88.545   6.0684   55.141   6.7964   56.450   8.3105   52.496   11.810   90.565   6.7715   86.525   10.072 4.040123 12.13672 
1 1 1  -39    9   22 f  100.812   5.9596   73.423   7.4499   78.594   9.0904   62.846   13.001  106.978   6.2706   94.646   10.137 12.33141 11.91927 
1 1 1  -39    9   23 o  117.544   5.3760   92.777   8.0346   87.965   9.6898  103.367   14.374  113.161   6.3188  121.927   8.6994 -8.765839 10.75205 
1 1 1  -39    9   24 o   52.904   9.2407   20.552   6.6254   16.406   8.9722   25.523   9.8253   47.075   13.414   58.733   12.713 -11.65849 18.48148 
1 1 1  -39    9   25 o  150.080   5.5218  153.921   11.073  144.842   14.337  167.346   17.433  144.860   7.3036  155.300   8.2837 -10.43976 11.04365 
1 1 1  -39    9   26 o  126.851   5.8134  110.131   9.8911  101.735   12.922  122.009   15.371  121.216   7.8665  132.484   8.5615 -11.26806 11.62673 
1 1 1  -39    9   27 o   86.783   8.6661   53.006   9.7588   56.449   16.537   51.167   12.088   88.316   13.817   85.250   10.464 3.066185 17.33221 
1 1 1  -39    9   28 o  114.503   6.0699   89.717   9.3201   81.431   12.156  101.536   14.518  108.295   8.2830  120.712   8.8750 -12.41663 12.13977 
1 1 1  -39    9   29 o  201.398   5.2559  276.229   13.215  269.853   15.786  291.161   24.156  198.320   5.8739  204.476   8.7176 -6.156052 10.51188 
1 1 1  -39    9   30 o  140.158   5.3563  135.369   9.5738  134.269   11.694  137.605   16.673  139.788   6.1732  140.528   8.7550 -0.7401276 10.71255 
1 1 1  -39    9   31 o  127.470   5.5655  113.685   8.9719  115.642   10.948  109.680   15.657  129.699   6.2287  125.241   9.2251 4.457985 11.13101 
1 1 1  -39    9   32 o  146.719   6.1061  147.935   12.140  147.935   12.140   0.0000   0.0000  146.719   6.1061  ?   ?       ?      ? 
1 1 1  -39    9   33 o  170.324   5.9528  199.272   13.740  199.272   13.740   0.0000   0.0000  170.324   5.9528  ?   ?       ?      ? 
1 1 1  -39    9   34 o   93.675   6.2612   58.675   7.6536   52.230   9.4247   71.157   13.115   86.699   8.0218  100.651   9.6157 -13.95176 12.52242 
1 1 1  -39    9   35 o  134.679   5.5287  122.377   9.5368  115.503   11.577  136.889   16.822  129.429   6.6006  139.929   8.8713 -10.50075 11.05747 
1 1 1  -39    9   36 o  118.274   5.9238   98.571   8.8522  100.577   10.806   94.479   15.435  120.754   6.6036  115.794   9.8366 4.959030 11.84762 
1 1 1  -39    9   37 o  108.696   6.0081   79.514   8.4058   73.488   10.224   92.083   14.767  102.984   7.3260  114.408   9.5246 -11.42392 12.01613 
1 1 1  -39    9   38 o   93.661   6.5355   61.815   7.8345   62.221   9.6489   61.029   13.422   94.678   7.5205   92.645   10.691 2.032425 13.07106 
1 1 1  -39    9   39 o   89.271   6.5398   52.455   7.6077   43.623   9.3213   70.075   13.166   78.921   8.7157   99.620   9.7527 -20.69822 13.07965 
1 1 1  -39    9   40 o  113.910   5.8267   85.246   8.5675   74.205   10.383  108.798   15.165  103.368   7.4126  124.451   8.9920 -21.08351 11.65344 
1 1 1  -39    9   41 o  114.156   5.4510   89.777   8.3841  100.340   12.710   81.640   11.155  119.993   7.8164  108.318   7.5998 11.67520 10.90197 
1 1 1  -39    9   42 o  112.639   6.7547   86.382   9.2968   97.715   17.864   82.173   10.887  116.567   11.309  108.711   7.3904 7.856636 13.50938 
1 1 1  -39    9   43 o   34.698   9.1633   7.3010   5.8120   5.5152   8.8927   8.6326   7.6789   33.512   13.241   35.885   12.670 -2.372562 18.32654 
1 1 1  -39    9   44 o   32.778   8.5750   3.4718   5.6318   13.109   8.6291  -3.6794   7.4332   42.075   13.420   23.482   10.678 18.59332 17.14999 
1 1 1  -39    9   45 o   72.681   8.3578   39.048   7.8595   39.970   10.237   37.725   12.267   74.836   10.094   70.526   13.324 4.310158 16.71552 
1 1 1  -39    9   46 o   92.122   7.0927   59.636   8.6999   55.596   11.160   65.896   13.891   88.542   9.3009   95.703   10.711 -7.160866 14.18534 
1 1 1  -39    9   47 o   99.874   8.8248   70.507   11.944   70.507   11.944   0.0000   0.0000   99.874   8.8248  ?   ?       ?      ? 
1 1 1  -39    9   48 o   50.623   13.624   19.872   9.5522   19.872   9.5522   0.0000   0.0000   50.623   13.624  ?   ?       ?      ? 
1 1 1  -39    9   49 o  154.600   5.9715  167.197   12.197  161.971   15.511  175.665   19.744  152.103   7.5250  157.096   9.2742 -4.992630 11.94306 
1 1 1  -39    9   50 o  105.645   6.6909   76.583   9.3849   63.656   11.927   97.598   15.207   94.483   9.3154  116.807   9.6071 -22.32385 13.38177 
1 1 1  -39    9   51 o  160.401   6.0712  182.635   12.846  183.894   16.451  180.666   20.563  161.945   7.4963  158.857   9.5521 3.087830 12.14237 
1 1 1  -39    9   52 o  109.857   6.6956   87.236   9.7624   91.147   12.793   81.785   15.105  113.510   8.3170  106.204   10.495 7.305939 13.39128 
1 1 1  -39    9   53 o  103.165   6.8413   76.623   9.3937   77.130   12.239   75.898   14.654  104.165   8.6706  102.164   10.585 2.000969 13.68261 
1 1 1  -39    9   54 o  121.527   8.4621  115.194   12.812   69.667   18.600  156.295   17.673   94.973   14.452  148.080   8.8070 -53.10712 16.92412 
1 1 1  -39    9   55 o   46.592   11.204   16.240   8.4377   22.650   13.242   11.859   10.948   52.367   16.617   40.817   15.033 11.54954 22.40768 
1 1 1  -39    9   56 o  100.242   10.585   73.452   14.379   0.0000   0.0000   73.452   14.379  ?   ?   100.242   10.585      ?      ? 
1 1 1  -39    9   57 f   70.863   10.573   41.246   9.8242   34.225   15.396   46.068   12.759   63.239   17.414   78.487   11.996 -15.24837 21.14561 
1 1 1  -39    9   58 o   70.842   10.406   41.098   9.7001   33.380   14.826   46.873   12.826   62.584   17.028   79.100   11.965 -16.51581 20.81203 
1 1 1  -39    9   59 o   50.583   11.288   21.576   8.9137   15.605   13.826   25.823   11.660   45.096   16.838   56.070   15.037 -10.97375 22.57508 
1 1 1  -39    9   60 o   34.754   10.344   4.7011   8.1162   5.0896   13.082   4.4580   10.349   36.266   15.368   33.243   13.850 3.022503 20.68785 
1 1 1  -39    9   61 o   81.415   10.228   52.543   11.032   57.771   16.238   48.061   15.035   85.944   13.942   76.886   14.968 9.057816 20.45559 
1 1 1  -39    9   62 o   49.803   16.960   21.071   13.705   21.071   13.705   0.0000   0.0000   49.803   16.960  ?   ?       ?      ? 
1 1 1  -39    9   63 o   52.817   11.678   23.288   9.4288   31.411   14.230   16.932   12.589   60.066   16.816   45.568   16.208 14.49847 23.35573 
1 1 1  -39    9   64 o   70.314   10.964   42.679   10.442   30.446   15.587   52.639   14.064   57.986   17.975   82.643   12.558 -24.65661 21.92727 
1 1 1  -39    9   65 o   91.298   9.8249   67.264   11.670   58.482   17.008   75.078   16.043   83.538   15.598   99.058   11.951 -15.51987 19.64988 
1 1 1  -39    9   66 o   96.973   9.8176   76.118   12.302   61.226   17.478   90.735   17.317   85.071   15.741  108.874   11.737 -23.80228 19.63524 
1 1 1  -39    9   67 o   82.000   10.738   56.993   11.502   46.732   16.644   66.372   15.913   72.134   17.259   91.867   12.783 -19.73359 21.47678 
1 1 1  -39    9   68 o   26.521   8.8906  -9.3588   8.5641  -9.6142   12.264  -9.1158   11.964   26.601   12.623   26.440   12.523 0.1608715 17.78116 
1 1 1  -39    9   69 o   49.805   16.952   22.891   13.691   0.0000   0.0000   22.891   13.691  ?   ?    49.805   16.952      ?      ? 
1 1 1  -39    9   70 o   32.603   14.503   1.8364   12.884   0.0000   0.0000   1.8364   12.884  ?   ?    32.603   14.503      ?      ? 
1 1 1  -39    9   71 o   46.025   17.186   19.853   14.403   0.0000   0.0000   19.853   14.403  ?   ?    46.025   17.186      ?      ? 
1 1 1  -39    9   72 o   54.418   17.584   29.598   14.777   0.0000   0.0000   29.598   14.777  ?   ?    54.418   17.584      ?      ? 
1 1 1  -39    9   73 o   42.871   17.031   17.134   14.786   0.0000   0.0000   17.134   14.786  ?   ?    42.871   17.031      ?      ? 
1 1 1  -39   10    1 o   75.140   13.451   42.718   13.193   42.718   13.193   0.0000   0.0000   75.140   13.451  ?   ?       ?      ? 
1 1 1  -39   10    2 o  108.026   11.126   83.984   16.287   83.984   16.287   0.0000   0.0000  108.026   11.126  ?   ?       ?      ? 
1 1 1  -39   10    3 o   34.189   14.273   3.5426   11.023   3.5426   11.023   0.0000   0.0000   34.189   14.273  ?   ?       ?      ? 
1 1 1  -39   10    4 o   59.623   15.046   27.656   12.157   27.656   12.157   0.0000   0.0000   59.623   15.046  ?   ?       ?      ? 
1 1 1  -39   10    5 o   96.222   11.763   66.841   15.338   66.841   15.338   0.0000   0.0000   96.222   11.763  ?   ?       ?      ? 
1 1 1  -39   10    6 o   88.743   12.585   57.291   15.134   57.291   15.134   0.0000   0.0000   88.743   12.585  ?   ?       ?      ? 
1 1 1  -39   10    7 o  109.062   7.1238   83.802   10.156   86.386   16.803   82.315   12.748  109.755   11.298  108.369   8.6808 1.385780 14.24751 
1 1 1  -39   10    8 o   95.608   6.8902   66.267   7.1717   61.543   15.477   67.559   8.0931   92.170   12.391   99.046   6.0296 -6.876579 13.78032 
1 1 1  -39   10    9 o   97.260   5.2481   65.226   6.8306   62.997   8.9163   68.392   10.627   95.421   6.8953   99.098   7.9135 -3.676842 10.49613 
1 1 1  -39   10   10 o  118.919   5.1360   99.020   8.0839  103.173   10.509   93.001   12.652  122.324   6.3394  115.514   8.0826 6.810097 10.27209 
1 1 1  -39   10   11 o  144.482   5.2503  148.216   9.9564  162.171   12.990  128.339   15.503  153.415   6.2480  135.550   8.4396 17.86444 10.50069 
1 1 1  -39   10   12 o  111.915   5.2436   84.895   7.8323   76.116   10.068   98.353   12.466  104.866   7.0845  118.965   7.7325 -14.09817 10.48722 
1 1 1  -39   10   13 o   94.060   5.7352   62.245   7.1583   65.148   9.3675   58.171   11.098   97.015   7.1253   91.105   8.9888 5.909698 11.47034 
1 1 1  -39   10   14 o  138.808   6.7788  127.310   12.264  167.804   21.209  106.966   15.033  154.053   10.159  123.563   8.9777 30.49081 13.55770 
1 1 1  -39   10   15 o  138.247   5.0178  132.484   8.8993  133.047   10.970  131.402   15.220  139.145   5.8177  137.348   8.1774 1.796463 10.03568 
1 1 1  -39   10   16 o   88.225   5.6067   52.739   6.4698   49.130   8.0376   59.382   10.904   84.287   7.0369   92.163   8.7306 -7.876617 11.21345 
1 1 1  -39   10   17 o  115.291   5.2535   91.419   7.7302   90.033   9.4338   94.253   13.486  114.396   6.0855  116.187   8.5654 -1.790680 10.50709 
1 1 1  -39   10   18 o  176.913   5.0864  218.024   11.233  220.369   13.534  212.832   20.140  179.194   5.5734  174.633   8.5103 4.561386 10.17289 
1 1 1  -39   10   19 o  174.368   5.6455  208.726   13.340  208.726   13.340   0.0000   0.0000  174.368   5.6455  ?   ?       ?      ? 
1 1 1  -39   10   20 o  160.967   5.1603  181.401   10.411  184.855   12.612  174.015   18.443  164.085   5.6719  157.848   8.6222 6.236359 10.32051 
1 1 1  -39   10   21 o  168.098   5.0874  192.393   10.742  187.251   12.886  204.106   19.447  165.110   5.7593  171.086   8.3879 -5.976349 10.17476 
1 1 1  -39   10   22 o  105.671   5.7522   78.379   7.6695   79.579   9.3372   75.890   13.447  107.460   6.4119  103.882   9.5519 3.577713 11.50439 
1 1 1  -39   10   23 o   76.518   6.8064   42.610   6.6290   46.087   8.3082   36.518   10.997   81.517   7.5210   71.519   11.346 9.997688 13.61278 
1 1 1  -39   10   24 o  151.626   5.2720  160.680   10.059  162.984   12.212  155.820   17.741  153.993   5.8520  149.260   8.7711 4.733047 10.54408 
1 1 1  -39   10   25 o  137.301   5.2615  128.103   9.1830  123.369   11.108  138.322   16.320  133.881   6.1227  140.722   8.5583 -6.840439 10.52298 
1 1 1  -39   10   26 o   89.467   6.2460   56.604   7.1043   57.786   8.7249   54.278   12.238   91.391   7.0450   87.544   10.316 3.846725 12.49197 
1 1 1  -39   10   27 o  101.205   6.4437   71.389   8.7960   67.109   11.768   76.809   13.241   97.881   8.8720  104.529   9.3474 -6.647568 12.88746 
1 1 1  -39   10   28 f  144.168   5.9625  145.943   11.547  152.293   15.570  138.182   17.214  148.000   7.7633  140.335   9.0519 7.664536 11.92496 
1 1 1  -39   10   29 o  117.479   5.4751   90.904   8.3342   79.907   10.155  113.595   14.587  107.456   6.9736  127.502   8.4425 -20.04539 10.95021 
1 1 1  -39   10   30 o   96.780   6.0609   65.891   7.5821   66.793   9.4545   64.267   12.692   98.191   7.1053   95.368   9.8209 2.822662 12.12173 
1 1 1  -39   10   31 o   90.296   6.1745   54.428   7.2482   48.188   8.8760   66.919   12.558   83.178   7.8746   97.413   9.5127 -14.23572 12.34909 
1 1 1  -39   10   32 o   94.138   6.2930   62.265   7.5881   62.372   9.3403   62.057   13.013   94.805   7.2703   93.471   10.274 1.334007 12.58594 
1 1 1  -39   10   33 o  100.441   7.0776   69.949   9.6335   69.949   9.6335   0.0000   0.0000  100.441   7.0776  ?   ?       ?      ? 
1 1 1  -39   10   34 o  113.362   5.7303   87.042   8.3213   81.749   10.096   98.255   14.694  108.638   6.8580  118.086   9.1823 -9.448349 11.46064 
1 1 1  -39   10   35 o   62.483   7.9243   26.824   6.3992   21.744   7.9723   36.025   10.730   54.154   11.232   70.812   11.181 -16.65804 15.84856 
1 1 1  -39   10   36 o   82.976   6.7822   49.731   7.2097   52.125   9.0013   45.446   12.042   86.463   7.6823   79.490   11.179 6.972900 13.56433 
1 1 1  -39   10   37 o  102.075   6.0120   70.102   7.9738   63.089   9.7746   84.055   13.787   95.130   7.5823  109.020   9.3319 -13.89057 12.02393 
1 1 1  -39   10   38 o   78.507   6.9781   41.734   7.1705   36.189   8.8544   52.301   12.223   71.566   9.1299   85.447   10.556 -13.88089 13.95622 
1 1 1  -39   10   39 o   81.796   6.8429   46.737   7.3152   44.526   9.1198   50.726   12.250   79.584   8.4562   84.009   10.761 -4.424393 13.68571 
1 1 1  -39   10   40 o   93.699   6.8676   61.567   8.6139   56.830   11.187   68.467   13.501   89.562   9.2170   97.836   10.183 -8.273605 13.73511 
1 1 1  -39   10   41 o   81.872   8.1069   51.674   8.2060   63.228   10.901   36.567   12.465   94.742   8.4910   69.002   13.813 25.74015 16.21383 
1 1 1  -39   10   42 o   60.383   9.5901   23.779   8.8259   53.088   14.276   5.6473   11.229   84.919   12.406   35.846   14.628 49.07285 19.18012 
1 1 1  -39   10   43 o  156.258   5.9768  173.167   12.316  176.626   15.818  167.844   19.625  159.008   7.3410  153.508   9.4338 5.499908 11.95353 
1 1 1  -39   10   44 o   92.418   6.9398   59.965   8.5888   53.667   11.150   69.156   13.469   86.729   9.4866   98.106   10.131 -11.37690 13.87958 
1 1 1  -39   10   45 o   66.832   8.9356   33.796   7.7427   32.549   10.284   35.427   11.764   65.735   11.987   67.929   13.255 -2.194351 17.87129 
1 1 1  -39   10   46 o  100.168   6.7454   71.338   9.0379   68.988   11.795   74.681   14.066   98.563   8.8307  101.772   10.199 -3.209267 13.49089 
1 1 1  -39   10   47 o   67.247   11.075   33.010   10.092   33.010   10.092   0.0000   0.0000   67.247   11.075  ?   ?       ?      ? 
1 1 1  -39   10   48 o  109.289   8.4674   84.669   12.540   84.669   12.540   0.0000   0.0000  109.289   8.4674  ?   ?       ?      ? 
1 1 1  -39   10   49 o   83.140   7.4763   50.173   8.3147   49.569   10.910   51.010   12.843   82.996   9.6999   83.284   11.380 -0.2880173 14.95264 
1 1 1  -39   10   50 o   62.923   11.042   32.266   9.2787   32.013   14.485   32.442   12.083   61.895   16.827   63.950   14.301 -2.055367 22.08366 
1 1 1  -39   10   51 o   96.020   8.3968   69.356   10.663   63.517   16.471   73.569   13.990   91.420   13.295  100.619   10.260 -9.199692 16.79361 
1 1 1  -39   10   52 o   85.842   9.4562   58.595   10.214   45.554   15.560   68.470   13.541   74.714   15.859   96.969   10.304 -22.25526 18.91236 
1 1 1  -39   10   53 o   66.986   10.702   34.428   9.4476   50.011   15.240   24.703   12.040   79.174   14.747   54.798   15.513 24.37644 21.40400 
1 1 1  -39   10   54 o  119.818   8.1353  108.906   12.826   92.773   19.518  121.166   17.015  110.312   13.056  129.324   9.7089 -19.01250 16.27065 
1 1 1  -39   10   55 o   92.664   10.087   71.984   11.281   43.451   16.908   94.878   15.145   71.025   17.645  114.303   9.7777 -43.27828 20.17325 
1 1 1  -39   10   56 o   35.896   14.593   6.7692   11.122   0.0000   0.0000   6.7692   11.122  ?   ?    35.896   14.593      ?      ? 
1 1 1  -39   10   57 f   79.106   10.046   49.970   10.391   45.844   15.505   53.335   14.000   74.342   15.873   83.871   12.318 -9.529175 20.09207 
1 1 1  -39   10   58 o  136.737   7.6209  140.326   13.858  116.101   20.096  162.296   19.137  123.971   11.962  149.503   9.4460 -25.53155 15.24177 
1 1 1  -39   10   59 o   57.274   10.038   27.821   9.1341   8.8644   13.679   43.074   12.271   39.176   16.084   75.372   12.014 -36.19613 20.07522 
1 1 1  -39   10   60 o   48.550   11.138   18.281   8.8587   29.802   13.416   9.3753   11.796   58.842   16.277   38.257   15.208 20.58560 22.27557 
1 1 1  -39   10   61 o   34.221   14.706   3.7554   12.281   3.7554   12.281   0.0000   0.0000   34.221   14.706  ?   ?       ?      ? 
1 1 1  -39   10   62 o   49.419   11.117   19.407   9.2137   32.755   13.531   7.8675   12.581   61.545   16.055   37.293   15.381 24.25227 22.23390 
1 1 1  -39   10   63 o   44.045   10.849   13.702   8.7271   26.665   13.037   3.1765   11.748   54.998   16.316   33.093   14.303 21.90417 21.69770 
1 1 1  -39   10   64 o   48.632   11.164   20.372   9.2687   9.1505   13.670   29.922   12.610   38.582   15.983   58.682   15.592 -20.10009 22.32852 
1 1 1  -39   10   65 o   47.446   11.574   19.413   9.1888   25.617   13.521   14.089   12.526   53.024   16.787   41.869   15.939 11.15467 23.14898 
1 1 1  -39   10   66 o   39.052   10.869   8.6896   8.9699   20.429   13.545  -0.4793   11.971   47.500   16.821   30.603   13.768 16.89638 21.73761 
1 1 1  -39   10   67 o   31.105   9.8232   0.3915   8.5096  -2.7323   12.090   3.4588   11.980   29.348   13.449   32.862   14.322 -3.514078 19.64630 
1 1 1  -39   10   68 o   64.172   16.827   38.484   14.813   0.0000   0.0000   38.484   14.813  ?   ?    64.172   16.827      ?      ? 
1 1 1  -39   10   69 o   96.912   12.925   76.860   16.974   0.0000   0.0000   76.860   16.974  ?   ?    96.912   12.925      ?      ? 
1 1 1  -39   10   70 o   49.881   17.259   24.893   14.207   0.0000   0.0000   24.893   14.207  ?   ?    49.881   17.259      ?      ? 
1 1 1  -39   10   71 o   81.674   15.157   60.026   16.158   0.0000   0.0000   60.026   16.158  ?   ?    81.674   15.157      ?      ? 
1 1 1  -39   10   72 o   30.584   13.955   0.2759   12.835   0.0000   0.0000   0.2759   12.835  ?   ?    30.584   13.955      ?      ? 
1 1 1  -39   11    1 o  108.647   7.8286   82.930   11.526   82.930   11.526   0.0000   0.0000  108.647   7.8286  ?   ?       ?      ? 
1 1 1  -39   11    2 o   67.926   10.135   33.161   9.3287   33.161   9.3287   0.0000   0.0000   67.926   10.135  ?   ?       ?      ? 
1 1 1  -39   11    3 o   99.908   8.1911   70.274   11.090   70.274   11.090   0.0000   0.0000   99.908   8.1911  ?   ?       ?      ? 
1 1 1  -39   11    4 o  139.524   7.3282  135.961   13.856  135.961   13.856   0.0000   0.0000  139.524   7.3282  ?   ?       ?      ? 
1 1 1  -39   11    5 o   98.822   8.1480   68.648   10.912   68.648   10.912   0.0000   0.0000   98.822   8.1480  ?   ?       ?      ? 
1 1 1  -39   11    6 o   25.184   11.138  -1.4149   7.4945  -1.4149   7.4945   0.0000   0.0000   25.184   11.138  ?   ?       ?      ? 
1 1 1  -39   11    7 o   90.418   8.4296   57.555   10.329   57.555   10.329   0.0000   0.0000   90.418   8.4296  ?   ?       ?      ? 
1 1 1  -39   11    8 o  124.178   7.5524  107.711   12.709  107.711   12.709   0.0000   0.0000  124.178   7.5524  ?   ?       ?      ? 
1 1 1  -39   11    9 o  144.051   7.3007  144.610   14.252  144.610   14.252   0.0000   0.0000  144.051   7.3007  ?   ?       ?      ? 
1 1 1  -39   11   10 o   61.300   11.200   27.831   8.9611   27.831   8.9611   0.0000   0.0000   61.300   11.200  ?   ?       ?      ? 
1 1 1  -39   11   11 o   93.211   8.5005   61.097   10.737   61.097   10.737   0.0000   0.0000   93.211   8.5005  ?   ?       ?      ? 
1 1 1  -39   11   12 o   51.299   6.8032   18.169   4.5540   14.989   5.7727   23.409   7.4106   45.155   9.7215   57.443   9.5199 -12.28770 13.60647 
1 1 1  -39   11   13 o   88.924   5.2073   54.559   6.0164   53.284   7.4762   56.901   10.135   87.792   6.2841   90.055   8.3050 -2.263214 10.41455 
1 1 1  -39   11   14 o   57.129   7.0587   24.796   5.0328   28.323   6.4288   19.213   8.0889   63.758   7.4407   50.500   11.997 13.25748 14.11743 
1 1 1  -39   11   15 f   46.127   7.8343   16.045   5.5701   4.5282   8.1896   25.959   7.5981   31.661   12.644   60.593   9.2534 -28.93194 15.66867 
1 1 1  -39   11   16 o   33.484   7.9529   7.5404   4.6160   11.345   5.9892   1.9729   7.2446   39.139   10.893   27.829   11.591 11.30933 15.90579 
1 1 1  -39   11   17 o   96.837   5.5480   67.421   6.8710   72.225   8.6174   59.036   11.384  102.254   6.2189   91.419   9.1895 10.83434 11.09606 
1 1 1  -39   11   18 o   65.877   6.4599   30.393   5.5980   29.629   7.0779   31.670   9.1479   65.083   8.0253   66.671   10.125 -1.588608 12.91985 
1 1 1  -39   11   19 o  102.686   5.7667   77.362   7.3854   84.607   9.1277   63.625   12.568  110.721   6.0834   94.650   9.7985 16.07175 11.53337 
1 1 1  -39   11   20 o  101.967   6.4176   71.905   8.8678   71.905   8.8678   0.0000   0.0000  101.967   6.4176  ?   ?       ?      ? 
1 1 1  -39   11   21 o   60.171   7.4763   26.701   5.6790   27.830   7.1512   24.774   9.3445   62.987   8.3780   57.355   12.385 5.632496 14.95268 
1 1 1  -39   11   22 o  109.851   5.1944   77.071   7.3813   61.451   8.9584  110.096   13.026   94.070   7.0274  125.631   7.6512 -31.56117 10.38874 
1 1 1  -39   11   23 o   41.613   8.9782   12.538   5.4407   10.928   6.9950   15.002   8.6563   38.638   12.052   44.588   13.311 -5.949272 17.95645 
1 1 1  -39   11   24 o   41.910   9.0020   12.800   5.4851   11.328   7.0833   15.003   8.6687   39.240   12.109   44.581   13.323 -5.340954 18.00409 
1 1 1  -39   11   25 o   74.768   6.7096   38.775   6.5462   36.601   8.1284   42.788   11.043   72.235   8.3037   77.302   10.541 -5.066139 13.41915 
1 1 1  -39   11   26 o   87.196   6.1709   51.909   7.0100   47.943   8.6528   59.484   11.958   82.860   7.7060   91.532   9.6404 -8.672028 12.34174 
1 1 1  -39   11   27 o   35.197   9.5477   6.8973   6.4687   4.3058   9.2299   9.3990   9.0683   32.664   13.288   37.730   13.714 -5.065842 19.09548 
1 1 1  -39   11   28 o   89.024   6.9505   56.404   8.3686   56.204   11.478   56.630   12.227   88.989   9.5184   89.058   10.131 -0.6896210E-01 13.90100 
1 1 1  -39   11   29 o   53.941   8.7103   22.799   6.2292   26.108   7.8371   17.123   10.265   60.631   9.5384   47.251   14.577 13.37958 17.42053 
1 1 1  -39   11   30 o  138.239   5.5713  135.919   9.7586  140.287   11.986  127.332   16.806  142.428   6.2103  134.049   9.2514 8.378799 11.14252 
1 1 1  -39   11   31 o  116.732   5.6953   95.446   8.5386   95.183   10.527   95.951   14.599  117.136   6.6318  116.328   9.2609 0.8074799 11.39053 
1 1 1  -39   11   32 o   86.911   6.7784   53.157   7.9214   49.119   10.442   58.630   12.158   83.206   9.2608   90.616   9.9006 -7.409149 13.55672 
1 1 1  -39   11   33 o   41.954   13.420   13.150   8.6234   13.150   8.6234   0.0000   0.0000   41.954   13.420  ?   ?       ?      ? 
1 1 1  -39   11   34 o   95.001   6.7158   64.846   8.4883   67.934   11.186   60.653   13.034   98.191   8.4063   91.812   10.476 6.379501 13.43155 
1 1 1  -39   11   35 o  139.170   5.8894  136.152   10.932  134.753   14.234  138.165   17.070  138.764   7.5694  139.577   9.0247 -0.8131256 11.77883 
1 1 1  -39   11   36 o   90.760   6.7960   58.146   8.3067   52.784   11.025   65.186   12.633   86.050   9.4550   95.470   9.7646 -9.419563 13.59209 
1 1 1  -39   11   37 o   79.992   7.5114   47.151   7.9488   53.267   10.696   39.609   11.879   86.561   9.1186   73.424   11.939 13.13732 15.02283 
1 1 1  -39   11   38 o  111.829   6.2495   87.382   9.3556   80.609   12.149   97.249   14.664  106.833   8.3920  116.826   9.2627 -9.992653 12.49898 
1 1 1  -39   11   39 o   95.863   6.7025   65.013   8.6531   59.780   11.482   71.891   13.164   91.561   9.2539  100.164   9.6985 -8.602806 13.40503 
1 1 1  -39   11   40 o  106.200   6.3957   76.903   9.0024   60.701   11.493  102.623   14.481   92.255   9.1934  120.146   8.8940 -27.89137 12.79142 
1 1 1  -39   11   41 o  119.516   7.3926  101.184   11.800  117.400   18.728   90.508   15.196  126.954   10.886  112.079   10.005 14.87527 14.78527 
1 1 1  -39   11   42 o  100.415   8.0501   75.274   10.641   67.029   16.493   81.153   13.927   94.543   12.873  106.286   9.6693 -11.74352 16.10019 
1 1 1  -39   11   43 o   86.455   7.0077   53.276   8.1215   49.811   10.606   58.186   12.627   83.365   9.3886   89.544   10.406 -6.178764 14.01547 
1 1 1  -39   11   44 o   73.376   8.0803   38.674   7.6121   27.576   9.9024   54.706   11.901   59.810   12.615   86.942   10.101 -27.13240 16.16068 
1 1 1  -39   11   45 o   37.644   10.023   8.7967   7.4353   0.8056   11.784   14.082   9.5838   32.449   14.171   42.840   14.179 -10.39120 20.04679 
1 1 1  -39   11   46 o   99.460   7.9999   72.187   10.669   78.315   16.550   67.831   13.956  102.600   11.903   96.320   10.692 6.280533 15.99978 
1 1 1  -39   11   47 o  101.799   12.103   77.463   16.696   77.463   16.696   0.0000   0.0000  101.799   12.103  ?   ?       ?      ? 
1 1 1  -39   11   48 o   61.260   10.846   29.881   9.0099   38.870   13.849   23.284   11.864   69.273   15.173   53.247   15.502 16.02624 21.69150 
1 1 1  -39   11   49 o   48.191   11.337   18.297   8.6207   23.272   13.321   14.712   11.308   52.700   16.660   43.683   15.380 9.016785 22.67399 
1 1 1  -39   11   50 o   84.229   8.8421   52.770   10.006   62.615   15.288   45.392   13.235   91.069   12.388   77.389   12.620 13.68032 17.68416 
1 1 1  -39   11   51 o   96.979   8.5629   72.565   10.869   58.551   16.333   83.705   14.562   86.827   13.881  107.132   10.031 -20.30542 17.12579 
1 1 1  -39   11   52 o   86.351   9.1682   58.347   10.207   50.952   15.369   64.183   13.653   79.496   14.811   93.206   10.810 -13.70974 18.33640 
1 1 1  -39   11   53 o   59.415   11.267   28.934   9.1657   35.361   14.404   24.561   11.881   64.548   16.427   54.282   15.426 10.26621 22.53399 
1 1 1  -39   11   54 o   77.087   9.8467   46.936   9.9421   47.347   15.202   46.629   13.142   75.922   15.305   78.252   12.393 -2.329437 19.69334 
1 1 1  -39   11   55 f   94.539   11.384   67.042   14.585   0.0000   0.0000   67.042   14.585  ?   ?    94.539   11.384      ?      ? 
1 1 1  -39   11   56 o   78.350   10.399   51.486   10.490   38.058   15.713   62.279   14.088   65.738   17.376   90.963   11.429 -25.22556 20.79763 
1 1 1  -39   11   57 o   53.829   11.489   24.658   9.0549   29.170   13.734   21.189   12.043   57.768   16.639   49.889   15.848 7.879787 22.97884 
1 1 1  -39   11   58 o   53.890   10.647   24.889   9.0396   10.974   13.150   37.354   12.447   40.095   16.019   67.684   14.031 -27.58976 21.29488 
1 1 1  -39   11   59 o   40.711   10.899   11.860   8.3943   17.646   12.449   7.0367   11.367   45.747   16.135   35.675   14.656 10.07158 21.79723 
1 1 1  -39   11   60 o   48.568   16.320   20.642   12.688   20.642   12.688   0.0000   0.0000   48.568   16.320  ?   ?       ?      ? 
1 1 1  -39   11   61 o   31.788   14.202   0.2691   12.499   0.2691   12.499   0.0000   0.0000   31.788   14.202  ?   ?       ?      ? 
1 1 1  -39   11   62 o   45.810   11.059   14.998   9.3117   31.888   14.108   1.9603   12.395   59.065   16.817   32.555   14.365 26.51062 22.11726 
1 1 1  -39   11   63 o   98.366   9.5932   79.641   11.907   57.034   16.759  102.683   16.920   80.744   15.882  115.988   10.764 -35.24471 19.18643 
1 1 1  -39   11   64 o   44.395   11.516   17.157   9.2786   22.401   13.198   12.032   13.047   49.100   16.645   39.689   15.921 9.411072 23.03298 
1 1 1  -39   11   65 o   55.544   11.828   29.433   9.9746   36.786   13.984   21.816   14.232   63.275   16.230   47.812   17.209 15.46259 23.65520 
1 1 1  -39   11   66 o   55.824   11.871   29.589   10.249   18.931   14.018   41.829   15.022   44.899   16.917   66.750   16.660 -21.85098 23.74295 
1 1 1  -39   11   67 o   96.245   9.4676   77.537   12.337   73.406   17.198   81.916   17.706   93.314   13.600   99.176   13.175 -5.862152 18.93514 
1 1 1  -39   11   68 o   54.112   17.470   30.133   14.589   0.0000   0.0000   30.133   14.589  ?   ?    54.112   17.470      ?      ? 
1 1 1  -39   11   69 o   63.293   17.155   40.365   15.081   0.0000   0.0000   40.365   15.081  ?   ?    63.293   17.155      ?      ? 
1 1 1  -39   11   70 o   43.468   16.713   19.364   13.856   0.0000   0.0000   19.364   13.856  ?   ?    43.468   16.713      ?      ? 
1 1 1  -39   11   71 o   51.399   17.793   29.902   15.101   0.0000   0.0000   29.902   15.101  ?   ?    51.399   17.793      ?      ? 
1 1 1  -39   12    1 o   78.018   9.3648   43.721   9.9009   43.721   9.9009   0.0000   0.0000   78.018   9.3648  ?   ?       ?      ? 
1 1 1  -39   12    2 o   94.781   8.5189   63.859   10.942   63.859   10.942   0.0000   0.0000   94.781   8.5189  ?   ?       ?      ? 
1 1 1  -39   12    3 o   89.708   8.6987   57.286   10.575   57.286   10.575   0.0000   0.0000   89.708   8.6987  ?   ?       ?      ? 
1 1 1  -39   12    4 o   74.134   9.8461   39.624   9.8915   39.624   9.8915   0.0000   0.0000   74.134   9.8461  ?   ?       ?      ? 
1 1 1  -39   12    5 o  103.004   8.2197   75.063   11.473   75.063   11.473   0.0000   0.0000  103.004   8.2197  ?   ?       ?      ? 
1 1 1  -39   12    6 o   98.488   8.2900   68.643   11.064   68.643   11.064   0.0000   0.0000   98.488   8.2900  ?   ?       ?      ? 
1 1 1  -39   12    7 o   68.239   10.037   33.585   9.2819   33.585   9.2819   0.0000   0.0000   68.239   10.037  ?   ?       ?      ? 
1 1 1  -39   12    8 o   76.560   9.3698   41.925   9.7211   41.925   9.7211   0.0000   0.0000   76.560   9.3698  ?   ?       ?      ? 
1 1 1  -39   12    9 o   92.265   8.6658   60.402   10.835   60.402   10.835   0.0000   0.0000   92.265   8.6658  ?   ?       ?      ? 
1 1 1  -39   12   10 o   86.389   8.8510   53.036   10.362   53.036   10.362   0.0000   0.0000   86.389   8.8510  ?   ?       ?      ? 
1 1 1  -39   12   11 o   51.436   12.473   20.338   8.6048   20.338   8.6048   0.0000   0.0000   51.436   12.473  ?   ?       ?      ? 
1 1 1  -39   12   12 o   69.759   10.277   35.111   9.7151   35.111   9.7151   0.0000   0.0000   69.759   10.277  ?   ?       ?      ? 
1 1 1  -39   12   13 o   35.187   13.257   7.7103   8.6078   7.7103   8.6078   0.0000   0.0000   35.187   13.257  ?   ?       ?      ? 
1 1 1  -39   12   14 o   32.325   12.740   5.3902   8.2134   5.3902   8.2134   0.0000   0.0000   32.325   12.740  ?   ?       ?      ? 
1 1 1  -39   12   15 o   49.790   13.280   19.238   9.1247   19.238   9.1247   0.0000   0.0000   49.790   13.280  ?   ?       ?      ? 
1 1 1  -39   12   16 o   52.852   13.278   21.674   9.4973   21.674   9.4973   0.0000   0.0000   52.852   13.278  ?   ?       ?      ? 
1 1 1  -39   12   17 o   23.131   10.788  -6.4945   8.2977  -6.4945   8.2977   0.0000   0.0000   23.131   10.788  ?   ?       ?      ? 
1 1 1  -39   12   18 o   66.659   8.0781   35.234   6.7086   51.077   9.3022   18.064   9.6840   85.180   8.0586   48.137   14.003 37.04336 16.15619 
1 1 1  -39   12   19 o  123.602   5.5455  106.619   9.2128  102.028   12.170  112.782   14.099  120.726   7.4391  126.478   8.2262 -5.751968 11.09101 
1 1 1  -39   12   20 o  116.306   7.4456   94.699   11.735   94.699   11.735   0.0000   0.0000  116.306   7.4456  ?   ?       ?      ? 
1 1 1  -39   12   21 o   68.832   6.9286   34.118   6.4214   36.134   8.7954   31.816   9.3970   71.276   9.1060   66.387   10.445 4.888245 13.85728 
1 1 1  -39   12   22 o   38.255   8.9811   10.593   5.4700   8.8414   7.6536   12.422   7.8206   35.837   12.650   40.673   12.753 -4.836308 17.96217 
1 1 1  -39   12   23 o   62.250   7.7436   28.592   6.3687   30.084   8.8269   26.972   9.1978   64.687   10.070   59.814   11.767 4.872894 15.48716 
1 1 1  -39   12   24 o   38.275   8.3526   9.2419   5.7356   19.129   7.9915  -1.2623   8.2369   50.114   11.938   26.436   11.685 23.67764 16.70521 
1 1 1  -39   12   25 o   35.470   9.1241   8.3468   5.6782   8.5875   7.9889   8.1011   8.0722   35.730   12.889   35.211   12.917 0.5198555 18.24815 
1 1 1  -39   12   26 o   48.842   9.0779   18.601   6.2704   23.790   8.6958   12.981   9.0501   56.037   11.823   41.646   13.779 14.39081 18.15576 
1 1 1  -39   12   27 o   46.319   9.9919   17.530   7.4575   6.2693   12.884   23.203   9.1451   37.656   15.551   54.983   12.550 -17.32670 19.98371 
1 1 1  -39   12   28 o   42.757   10.672   12.319   7.3995   18.175   12.761   9.3533   9.0821   48.166   16.367   37.347   13.701 10.81941 21.34469 
1 1 1  -39   12   29 o   84.280   6.8265   51.547   7.6703   55.915   10.297   46.102   11.497   88.839   8.5533   79.721   10.642 9.117859 13.65305 
1 1 1  -39   12   30 o   98.993   6.4711   70.852   8.5304   77.458   11.455   62.628   12.781  104.798   8.0661   93.188   10.121 11.61066 12.94211 
1 1 1  -39   12   31 o   60.600   8.7139   27.918   6.8956   26.481   9.3618   29.621   10.195   58.966   12.121   62.233   12.522 -3.266968 17.42775 
1 1 1  -39   12   32 o   53.158   9.1810   21.595   6.7882   13.555   9.2329   31.055   10.015   42.287   13.913   64.028   11.982 -21.74089 18.36202 
1 1 1  -39   12   33 o   83.550   9.2037   49.888   10.421   49.888   10.421   0.0000   0.0000   83.550   9.2037  ?   ?       ?      ? 
1 1 1  -39   12   34 o   93.000   6.7980   63.562   8.3197   71.071   11.032   53.659   12.669  100.280   8.1180   85.721   10.906 14.55882 13.59596 
1 1 1  -39   12   35 o   59.101   8.9458   27.030   6.9157   27.885   9.2890   25.965   10.359   60.654   11.726   57.548   13.514 3.106113 17.89156 
1 1 1  -39   12   36 o   69.785   8.6376   39.282   7.5353   51.781   10.123   23.751   11.284   85.259   8.7617   54.311   14.888 30.94756 17.27514 
1 1 1  -39   12   37 o   81.989   7.1046   48.188   7.8348   44.961   10.348   52.523   11.994   78.999   9.6661   84.978   10.415 -5.979485 14.20926 
1 1 1  -39   12   38 f   61.084   10.500   31.143   8.6482   24.095   13.690   35.823   11.156   53.795   16.874   68.373   12.501 -14.57795 20.99995 
1 1 1  -39   12   39 o   67.711   10.151   37.293   8.9737   30.525   14.308   41.682   11.521   60.257   16.860   75.166   11.311 -14.90948 20.30232 
1 1 1  -39   12   40 f   90.066   9.1045   64.529   10.152   45.449   15.214   79.844   13.630   74.910   15.498  105.223   9.5588 -30.31289 18.20895 
1 1 1  -39   12   41 o   57.204   14.004   26.114   10.768   0.0000   0.0000   26.114   10.768  ?   ?    57.204   14.004      ?      ? 
1 1 1  -39   12   42 o   48.312   10.981   18.167   8.0969   23.796   12.753   14.366   10.480   53.471   16.201   43.154   14.829 10.31730 21.96293 
1 1 1  -39   12   43 o   48.551   9.5823   18.898   7.8351   2.7415   11.949   31.084   10.377   33.736   14.502   63.366   12.529 -29.63046 19.16457 
1 1 1  -39   12   44 o   37.954   10.177   8.9267   7.7051   1.0826   11.768   14.813   10.194   32.391   14.153   43.517   14.629 -11.12536 20.35477 
1 1 1  -39   12   45 o   25.480   8.3371  -6.4679   6.9733 -13.1372   10.740  -1.6076   9.1686   23.670   11.388   27.290   12.180 -3.619194 16.67423 
1 1 1  -39   12   46 o   45.201   15.882   16.224   12.053   16.224   12.053   0.0000   0.0000   45.201   15.882  ?   ?       ?      ? 
1 1 1  -39   12   47 o   36.392   14.906   6.8455   11.714   6.8455   11.714   0.0000   0.0000   36.392   14.906  ?   ?       ?      ? 
1 1 1  -39   12   48 f   54.208   10.729   25.029   8.6055   16.277   12.929   31.990   11.531   45.258   16.387   63.158   13.853 -17.90020 21.45767 
1 1 1  -39   12   49 o   46.399   9.9887   16.094   8.4035  -0.7547   12.480   30.069   11.366   31.823   14.206   60.974   14.045 -29.15097 19.97737 
1 1 1  -39   12   50 o   35.437   10.093   4.6820   7.6185   14.071   12.107  -1.4727   9.8024   42.772   15.799   28.103   12.565 14.66925 20.18591 
1 1 1  -39   12   51 o   28.328   9.0924  -2.9008   7.5460  -5.0234   11.633  -1.3589   9.9149   28.376   13.073   28.280   12.641 0.9537697E-01 18.18479 
1 1 1  -39   12   52 o   54.254   10.996   25.204   8.7513   18.745   12.613   31.199   12.152   47.230   16.266   61.279   14.800 -14.04935 21.99177 
1 1 1  -39   12   53 o   70.627   10.513   41.277   9.9439   32.899   14.031   49.732   14.095   61.412   16.505   79.843   13.027 -18.43101 21.02688 
1 1 1  -39   12   54 f   33.001   14.298   2.8367   11.798   0.0000   0.0000   2.8367   11.798  ?   ?    33.001   14.298      ?      ? 
1 1 1  -39   12   55 o  104.547   11.869   83.933   16.815   0.0000   0.0000   83.933   16.815  ?   ?   104.547   11.869      ?      ? 
1 1 1  -39   12   56 f   52.095   11.917   24.344   9.6865   28.237   13.802   20.565   13.598   55.952   16.832   48.237   16.874 7.715172 23.83308 
1 1 1  -39   12   57 o   88.075   10.370   65.575   11.408   37.267   15.801   96.387   16.486   63.339   17.716  112.811   10.784 -49.47243 20.73998 
1 1 1  -39   12   58 o   58.198   11.646   29.926   10.027   43.068   15.009   19.331   13.476   69.787   16.184   46.609   16.749 23.17821 23.29108 
1 1 1  -39   12   59 o   48.828   11.971   21.946   9.6469   22.233   14.322   21.708   13.052   48.886   17.299   48.769   16.552 0.1169662 23.94182 
1 1 1  -39   12   60 o   40.789   16.333   13.136   13.704   13.136   13.704   0.0000   0.0000   40.789   16.333  ?   ?       ?      ? 
1 1 1  -39   12   61 o   66.840   11.504   41.134   10.619   29.479   14.762   53.631   15.286   54.937   17.556   78.743   14.870 -23.80655 23.00740 
1 1 1  -39   12   62 o   49.415   11.729   22.752   9.8292   13.435   13.694   32.655   14.117   40.468   16.283   58.363   16.887 -17.89560 23.45859 
1 1 1  -39   12   63 o   34.872   10.345   4.8643   9.0264  -6.6373   13.026   15.488   12.519   28.035   13.214   41.708   15.922 -13.67369 20.69097 
1 1 1  -39   12   64 o   27.771   9.0691  -9.8325   8.7521 -26.6609   12.391   6.9242   12.364   20.945   10.474   34.598   14.809 -13.65270 18.13812 
1 1 1  -39   12   65 o   41.400   11.175   13.995   9.4469   25.810   13.751   3.4331   13.001   50.239   16.990   32.560   14.520 17.67895 22.34909 
1 1 1  -39   12   66 o   51.843   11.417   26.893   10.132   11.892   14.409   41.561   14.249   38.144   16.144   65.542   16.148 -27.39754 22.83404 
1 1 1  -39   12   67 o   65.526   16.600   42.998   14.758   0.0000   0.0000   42.998   14.758  ?   ?    65.526   16.600      ?      ? 
1 1 1  -39   12   68 o   69.862   16.404   48.851   15.265   0.0000   0.0000   48.851   15.265  ?   ?    69.862   16.404      ?      ? 
1 1 1  -39   13    1 o   76.112   13.916   45.911   13.824   45.911   13.824   0.0000   0.0000   76.112   13.916  ?   ?       ?      ? 
1 1 1  -39   13    2 o   59.111   15.583   29.025   12.660   29.025   12.660   0.0000   0.0000   59.111   15.583  ?   ?       ?      ? 
1 1 1  -39   13    3 o   85.516   12.598   55.474   14.600   55.474   14.600   0.0000   0.0000   85.516   12.598  ?   ?       ?      ? 
1 1 1  -39   13    4 o   88.986   12.367   59.774   14.914   59.774   14.914   0.0000   0.0000   88.986   12.367  ?   ?       ?      ? 
1 1 1  -39   13    5 o   79.425   12.890   47.989   13.874   47.989   13.874   0.0000   0.0000   79.425   12.890  ?   ?       ?      ? 
1 1 1  -39   13    6 o   57.256   15.623   27.115   12.459   27.115   12.459   0.0000   0.0000   57.256   15.623  ?   ?       ?      ? 
1 1 1  -39   13    7 o   95.652   11.747   68.209   15.227   68.209   15.227   0.0000   0.0000   95.652   11.747  ?   ?       ?      ? 
1 1 1  -39   13    8 o   79.006   12.780   47.272   13.683   47.272   13.683   0.0000   0.0000   79.006   12.780  ?   ?       ?      ? 
1 1 1  -39   13    9 o   67.839   15.601   37.648   14.043   37.648   14.043   0.0000   0.0000   67.839   15.601  ?   ?       ?      ? 
1 1 1  -39   13   10 o   37.792   15.453   7.3739   12.563   7.3739   12.563   0.0000   0.0000   37.792   15.453  ?   ?       ?      ? 
1 1 1  -39   13   11 o   73.079   14.992   42.893   14.349   42.893   14.349   0.0000   0.0000   73.079   14.992  ?   ?       ?      ? 
1 1 1  -39   13   12 o   37.704   15.364   7.4202   12.365   7.4202   12.365   0.0000   0.0000   37.704   15.364  ?   ?       ?      ? 
1 1 1  -39   13   13 o   49.286   16.529   19.752   13.015   19.752   13.015   0.0000   0.0000   49.286   16.529  ?   ?       ?      ? 
1 1 1  -39   13   14 o   29.082   13.232  -3.9640   11.434  -3.9640   11.434   0.0000   0.0000   29.082   13.232  ?   ?       ?      ? 
1 1 1  -39   13   15 o   69.468   15.804   39.432   14.542   39.432   14.542   0.0000   0.0000   69.468   15.804  ?   ?       ?      ? 
1 1 1  -39   13   16 o   57.665   17.020   28.010   14.214   28.010   14.214   0.0000   0.0000   57.665   17.020  ?   ?       ?      ? 
1 1 1  -39   13   17 o   68.290   16.047   38.314   14.598   38.314   14.598   0.0000   0.0000   68.290   16.047  ?   ?       ?      ? 
1 1 1  -39   13   18 o   98.699   12.706   73.363   16.994   73.363   16.994   0.0000   0.0000   98.699   12.706  ?   ?       ?      ? 
1 1 1  -39   13   19 o  147.954   11.092  160.913   22.239  160.913   22.239   0.0000   0.0000  147.954   11.092  ?   ?       ?      ? 
1 1 1  -39   13   20 o  145.667   11.161  156.131   22.031  156.131   22.031   0.0000   0.0000  145.667   11.161  ?   ?       ?      ? 
1 1 1  -39   13   21 o   97.953   12.652   72.197   16.794   72.197   16.794   0.0000   0.0000   97.953   12.652  ?   ?       ?      ? 
1 1 1  -39   13   22 o   67.162   16.413   37.386   14.811   37.386   14.811   0.0000   0.0000   67.162   16.413  ?   ?       ?      ? 
1 1 1  -39   13   23 o   46.806   16.336   17.277   12.742   17.277   12.742   0.0000   0.0000   46.806   16.336  ?   ?       ?      ? 
1 1 1  -39   13   24 o   60.799   16.375   30.765   13.793   30.765   13.793   0.0000   0.0000   60.799   16.375  ?   ?       ?      ? 
1 1 1  -39   13   25 f   30.421   8.3649   3.4777   5.3706  -2.4226   7.5155   9.6350   7.6774   24.239   10.907   36.603   12.686 -12.36357 16.72975 
1 1 1  -39   13   26 o   49.412   8.1952   17.864   6.0308   7.0669   8.1912   30.644   8.9119   33.863   12.890   64.960   10.124 -31.09764 16.39042 
1 1 1  -39   13   27 o   56.541   12.754   24.890   9.5397   0.0000   0.0000   24.890   9.5397  ?   ?    56.541   12.754      ?      ? 
1 1 1  -39   13   28 o   78.178   10.498   44.640   11.122   0.0000   0.0000   44.640   11.122  ?   ?    78.178   10.498      ?      ? 
1 1 1  -39   13   29 o   34.070   9.5810   6.3003   6.5805   4.9030   10.390   7.2364   8.5037   33.854   13.972   34.286   13.114 -0.4312897 19.16203 
1 1 1  -39   13   30 o   92.540   7.5486   62.759   9.3358   62.702   14.392   62.800   12.267   91.904   11.556   93.176   9.7148 -1.271782 15.09714 
1 1 1  -39   13   31 o   96.318   7.6005   66.476   9.8018   80.730   15.292   56.535   12.770  104.865   10.761   87.770   10.737 17.09540 15.20092 
1 1 1  -39   13   32 f   73.484   14.517   43.091   13.944   43.091   13.944   0.0000   0.0000   73.484   14.517  ?   ?       ?      ? 
1 1 1  -39   13   33 o   64.627   15.300   34.149   13.192   34.149   13.192   0.0000   0.0000   64.627   15.300  ?   ?       ?      ? 
1 1 1  -39   13   34 o   67.079   9.9542   36.654   8.8672   27.117   13.232   44.427   11.946   56.811   16.323   77.348   11.397 -20.53681 19.90847 
1 1 1  -39   13   35 o   96.545   7.9630   69.272   10.368   67.251   15.257   71.005   14.132   94.762   11.881   98.327   10.606 -3.564880 15.92597 
1 1 1  -39   13   36 o   75.024   9.5076   44.730   9.2242   36.446   13.719   51.565   12.462   66.541   15.502   83.506   11.012 -16.96475 19.01515 
1 1 1  -39   13   37 o   72.488   9.8871   43.183   9.2893   29.781   13.813   54.248   12.551   59.223   16.564   85.752   10.801 -26.52881 19.77424 
1 1 1  -39   13   38 o   78.400   9.3616   46.814   9.6653   54.571   14.949   41.242   12.670   84.369   13.075   72.431   13.401 11.93816 18.72321 
1 1 1  -39   13   39 o   58.753   10.521   29.105   8.5598   21.814   12.899   34.842   11.442   50.939   16.426   66.567   13.150 -15.62790 21.04113 
1 1 1  -39   13   40 o   69.418   12.745   37.563   11.548   0.0000   0.0000   37.563   11.548  ?   ?    69.418   12.745      ?      ? 
1 1 1  -39   13   41 o   71.954   11.864   39.021   11.569   0.0000   0.0000   39.021   11.569  ?   ?    71.954   11.864      ?      ? 
1 1 1  -39   13   42 o   47.014   10.750   18.249   7.8915   15.337   11.951   20.500   10.508   44.065   15.780   49.962   14.602 -5.896416 21.49914 
1 1 1  -39   13   43 o   52.901   10.765   23.729   8.2467   19.562   12.556   26.890   10.936   48.348   16.236   57.454   14.142 -9.105804 21.53086 
1 1 1  -39   13   44 o   50.575   10.076   21.596   8.4624   5.3616   13.001   33.532   11.147   36.114   15.313   65.035   13.101 -28.92155 20.15247 
1 1 1  -39   13   45 o   64.755   10.695   34.489   9.1499   38.587   14.002   31.434   12.088   67.814   15.566   61.696   14.672 6.118427 21.39090 
1 1 1  -39   13   46 o   78.241   14.594   49.967   14.905   49.967   14.905   0.0000   0.0000   78.241   14.594  ?   ?       ?      ? 
1 1 1  -39   13   47 o   41.444   10.860   13.201   8.2178   9.8832   12.356   15.833   11.005   38.833   15.523   44.055   15.192 -5.222054 21.72054 
1 1 1  -39   13   48 o   71.977   10.322   43.902   9.8100   30.811   14.408   55.216   13.395   58.757   17.076   85.196   11.602 -26.43883 20.64471 
1 1 1  -39   13   49 o   91.883   9.6136   69.685   10.993   49.849   16.287   86.280   14.898   76.046   16.295  107.719   10.206 -31.67289 19.22718 
1 1 1  -39   13   50 o   43.477   11.386   14.998   8.7751   18.669   13.835   12.527   11.350   46.555   16.937   40.400   15.222 6.154900 22.77205 
1 1 1  -39   13   51 o   72.273   10.519   46.764   10.196   26.355   15.217   63.389   13.734   53.224   17.873   91.321   11.098 -38.09741 21.03850 
1 1 1  -39   13   52 o   59.553   11.401   31.799   9.4406   29.238   14.450   33.706   12.470   56.244   17.286   62.862   14.871 -6.617432 22.80211 
1 1 1  -39   13   53 o   62.031   11.436   34.941   9.8124   29.788   14.781   39.002   13.121   56.309   17.512   67.753   14.712 -11.44366 22.87144 
1 1 1  -39   13   54 o   79.878   13.248   51.488   14.340   0.0000   0.0000   51.488   14.340  ?   ?    79.878   13.248      ?      ? 
1 1 1  -39   13   55 o   62.315   11.605   35.602   9.9635   33.095   14.437   37.881   13.768   59.394   17.046   65.237   15.752 -5.842812 23.20951 
1 1 1  -39   13   56 o   39.554   10.458   9.5257   8.8958  -5.3569   12.804   23.413   12.368   28.709   13.393   50.398   16.066 -21.68932 20.91648 
1 1 1  -39   13   57 o   42.540   10.874   12.738   9.1644   28.184   13.519  -0.3951   12.466   54.381   16.720   30.700   13.908 23.68112 21.74893 
1 1 1  -39   13   58 o   53.555   11.749   27.932   9.7691   20.849   14.249   34.213   13.419   46.464   17.144   60.646   16.071 -14.18236 23.49848 
1 1 1  -39   13   59 f   39.489   16.063   12.774   13.486   12.774   13.486   0.0000   0.0000   39.489   16.063  ?   ?       ?      ? 
1 1 1  -39   13   60 o   61.175   11.822   36.861   10.539   25.849   14.708   48.481   15.109   49.996   17.545   72.354   15.848 -22.35717 23.64314 
1 1 1  -39   13   61 o   41.273   11.275   14.851   9.5532   5.7344   13.627   23.662   13.396   34.256   15.092   48.290   16.756 -14.03397 22.55046 
1 1 1  -39   13   62 f   50.534   12.115   26.883   9.9545   23.841   14.090   29.915   14.065   47.576   17.123   53.492   17.142 -5.916393 24.22904 
1 1 1  -39   13   63 o   27.844   9.1908  -4.6061   8.7671 -12.0813   12.670   2.2603   12.143   24.944   12.090   30.744   13.846 -5.800161 18.38154 
1 1 1  -39   13   64 o   32.536   10.170   4.8729   8.9779   0.0066   12.897   9.4482   12.505   29.882   13.766   35.191   14.973 -5.308601 20.33961 
1 1 1  -39   14   32 o   60.252   15.799   30.663   13.059   30.663   13.059   0.0000   0.0000   60.252   15.799  ?   ?       ?      ? 
1 1 1  -39   14   33 o   78.274   8.7562   46.439   9.1776   49.123   14.232   44.528   12.008   79.599   13.194   76.949   11.515 2.650406 17.51237 
1 1 1  -39   14   34 f   56.525   10.456   27.449   8.3699   19.233   12.817   33.559   11.052   47.898   16.402   65.152   12.974 -17.25313 20.91249 
1 1 1  -39   14   35 o   67.864   9.8601   36.431   8.7217   44.906   13.351   30.122   11.520   75.029   13.633   60.699   14.249 14.33016 19.72023 
1 1 1  -39   14   36 o   52.785   10.075   23.858   8.3106   9.6231   12.523   35.061   11.110   38.875   15.597   66.695   12.757 -27.81950 20.14931 
1 1 1  -39   14   37 o   52.972   11.047   23.410   8.4090   27.792   12.987   20.247   11.034   56.782   16.125   49.162   15.104 7.620068 22.09391 
1 1 1  -39   14   38 o   76.958   9.5447   47.202   9.6226   44.705   14.372   49.231   12.955   73.543   14.931   80.373   11.894 -6.830238 19.08938 
1 1 1  -39   14   39 o  106.535   8.8657   90.723   11.544   57.456   16.479  122.780   16.177   83.288   15.159  129.782   9.1980 -46.49438 17.73144 
1 1 1  -39   14   40 o   51.586   15.127   22.584   11.261   0.0000   0.0000   22.584   11.261  ?   ?    51.586   15.127      ?      ? 
1 1 1  -39   14   41 o   29.716   9.2691   0.4174   7.2553  -0.1087   10.964   0.8272   9.6775   30.157   13.398   29.275   12.812 0.8825684 18.53814 
1 1 1  -39   14   42 o   56.507   10.453   26.277   8.2288   35.837   12.521   19.007   10.918   65.658   14.463   47.356   15.095 18.30247 20.90501 
1 1 1  -39   14   43 o   53.218   10.618   25.109   8.4932   15.617   12.963   32.250   11.243   43.661   16.304   62.775   13.608 -19.11351 21.23669 
1 1 1  -39   14   44 o   36.755   10.243   8.4603   7.9677   0.7621   12.328   13.982   10.441   31.961   14.203   41.550   14.763 -9.588997 20.48618 
1 1 1  -39   14   45 o   32.247   14.295   1.2304   12.412   1.2304   12.412   0.0000   0.0000   32.247   14.295  ?   ?       ?      ? 
1 1 1  -39   14   46 o   29.121   9.2669  -1.7412   7.8528  -7.4392   11.873   2.6896   10.470   27.040   12.705   31.202   13.494 -4.161591 18.53386 
1 1 1  -39   14   47 o   34.153   10.029   5.7427   7.8964   0.1211   11.887   10.183   10.564   30.892   13.822   37.413   14.535 -6.520967 20.05793 
1 1 1  -39   14   48 o   66.563   10.230   38.980   9.4391   22.463   13.543   54.582   13.163   49.327   16.860   83.798   11.591 -34.47069 20.46014 
1 1 1  -39   14   49 o   55.095   11.616   28.152   9.3642   26.096   13.836   29.890   12.720   52.609   17.016   57.580   15.817 -4.970863 23.23187 
1 1 1  -39   14   50 o   52.304   11.369   24.429   9.4266   36.555   13.899   14.099   12.828   63.379   16.139   41.228   16.017 22.15036 22.73804 
1 1 1  -39   14   51 o   47.403   11.762   21.097   9.3634   19.984   13.422   22.152   13.069   46.290   16.706   48.517   16.562 -2.226646 23.52419 
1 1 1  -39   14   52 o   34.094   10.316   4.1495   8.6975   12.432   12.993  -2.5746   11.707   39.486   15.871   28.702   13.183 10.78342 20.63185 
1 1 1  -39   14   53 o   64.386   16.169   38.618   14.088   0.0000   0.0000   38.618   14.088  ?   ?    64.386   16.169      ?      ? 
1 1 1  -39   14   54 f   57.171   11.661   31.887   10.019   22.011   14.147   41.823   14.190   47.074   17.126   67.268   15.830 -20.19393 23.32166 
1 1 1  -39   14   55 o   37.719   10.231   6.4373   9.0364 -11.9649   12.866   24.354   12.695   25.608   12.356   49.830   16.311 -24.22251 20.46239 
1 1 1  -39   14   56 o   45.490   11.828   20.526   9.6143   24.692   14.130   16.933   13.120   48.810   17.192   42.171   16.249 6.638676 23.65585 
1 1 1  -39   14   57 o   46.411   11.930   21.866   9.7826   27.689   14.499   17.000   13.254   50.940   17.445   41.881   16.278 9.059147 23.85971 
1 1 1  -39   14   58 o   40.216   16.108   15.403   13.333   15.403   13.333   0.0000   0.0000   40.216   16.108  ?   ?       ?      ? 
1 1 1  -39   14   59 o   31.759   10.017   3.3793   8.8651  -1.3705   12.378   8.3811   12.702   28.870   13.365   34.647   14.923 -5.777212 20.03345 
1 1 1  -39   15   40 o   53.076   11.077   25.401   8.8765   17.732   12.625   32.900   12.483   44.810   16.197   61.341   15.115 -16.53095 22.15440 
1 1 1  -39   15   41 o   44.548   10.975   17.438   8.3713   12.516   12.298   21.688   11.428   39.873   15.629   49.223   15.413 -9.349701 21.95021 
1 1 1  -39   15   42 o   50.354   11.333   23.370   8.7191   22.111   13.106   24.369   11.679   48.718   16.586   51.990   15.448 -3.271942 22.66544 
1 1 1  -39   15   43 o   57.825   9.2381   28.042   9.3147   0.4546   13.253   54.971   13.094   31.966   14.424   83.685   11.546 -51.71898 18.47628 
1 1 1  -39   15   44 o   28.086   12.979  -3.6485   11.594  -3.6485   11.594   0.0000   0.0000   28.086   12.979  ?   ?       ?      ? 
1 1 1  -39   15   45 o   34.156   10.301   5.7004   8.4274   9.5319   12.450   2.4604   11.449   36.978   15.280   31.333   13.817 5.644911 20.60109 
1 1 1  -39   15   46 o   38.792   10.816   11.849   8.6053   6.8155   12.408   16.514   11.944   34.841   14.872   42.743   15.708 -7.901825 21.63129 
1 1 1  -39   15   47 o   49.016   10.905   22.165   9.2287   8.5478   13.292   34.839   12.823   36.353   15.452   61.680   15.391 -25.32717 21.80931 
1 1 1  -39   15   48 o   42.596   10.247   13.037   8.8641  -4.7729   12.596   30.512   12.477   28.226   13.206   56.966   15.671 -28.74080 20.49333 
1 1 1  -39   15   49 o   54.822   12.033   30.378   9.8731   30.259   14.312   30.487   13.638   54.352   17.278   55.292   16.754 -0.9399223 24.06663 
1 1 1  -39   15   50 o   72.024   10.591   49.855   10.643   25.523   15.171   73.436   14.935   48.835   17.740   95.213   11.575 -46.37798 21.18211 
1 1 1  -39   15   51 o   54.338   12.082   30.449   9.9142   34.527   14.705   27.050   13.424   57.459   17.393   51.217   16.773 6.242580 24.16345 
1 1 1  -39   15   52 o   29.678   13.539   0.3090   12.072   0.0000   0.0000   0.3090   12.072  ?   ?    29.678   13.539      ?      ? 
1 1 1  -39   15   53 o   40.633   11.297   15.901   9.4259   9.8259   13.613   21.497   13.065   35.999   15.477   45.267   16.459 -9.268639 22.59304 
1 1 1  -39   15   54 o   45.445   11.206   21.192   9.3451   10.305   13.540   31.096   12.914   36.003   15.456   54.887   16.229 -18.88378 22.41136 
1 1 1  -38    0    1 o  113.945   10.382   90.820   15.724   0.0000   0.0000   90.820   15.724  113.945   10.382  113.945   10.382 -0.000000 0.000000 
1 1 1  -38    0    2 o  276.147   9.7877  522.198   36.523   0.0000   0.0000  522.198   36.523  276.147   9.7877  276.147   9.7877 -0.000000 0.000000 
1 1 1  -38    0    3 o  211.648   9.3663  307.157   26.744   0.0000   0.0000  307.157   26.744  211.648   9.3663  211.648   9.3663 -0.000000 0.000000 
1 1 1  -38    0    5 o  327.805   7.3748  731.855   32.723   0.0000   0.0000  731.855   32.723  327.805   7.3748  327.805   7.3748 -0.000000 0.000000 
1 1 1  -38    0    6 o  425.633   8.4032  1234.65   48.426   0.0000   0.0000  1234.65   48.426  425.633   8.4032  425.633   8.4032 -0.000000 0.000000 
1 1 1  -38    0    7 o  102.168   7.9511   72.285   10.855   0.0000   0.0000   72.285   10.855  102.168   7.9511  102.168   7.9511 -0.000000 0.000000 
1 1 1  -38    0    8 o  299.986   7.2084  612.825   29.266   0.0000   0.0000  612.825   29.266  299.986   7.2084  299.986   7.2084 -0.000000 0.000000 
1 1 1  -38    0    9 o  389.919   8.0601  1035.67   42.548   0.0000   0.0000  1035.67   42.548  389.919   8.0601  389.919   8.0601 -0.000000 0.000000 
1 1 1  -38    0   10 o  460.620   8.8517  1446.17   55.206   0.0000   0.0000  1446.17   55.206  460.620   8.8517  460.620   8.8517 -0.000000 0.000000 
1 1 1  -38    0   11 o  181.769   6.7766  225.427   16.640   0.0000   0.0000  225.427   16.640  181.769   6.7766  181.769   6.7766 -0.000000 0.000000 
1 1 1  -38    0   12 o   79.144   9.4455   44.437   9.7492   0.0000   0.0000   44.437   9.7492   79.144   9.4455   79.144   9.4455 -0.000000 0.000000 
1 1 1  -38    0   13 f  167.427   6.7819  191.389   15.330   0.0000   0.0000  191.389   15.330  167.427   6.7819  167.427   6.7819 -0.000000 0.000000 
1 1 1  -38    0   14 o   33.167   16.053   11.114   8.4134   0.0000   0.0000   11.114   8.4134   33.167   16.053   33.167   16.053 -0.000000 0.000000 
1 1 1  -38    0   15 o  123.856   11.252  107.244   18.527   0.0000   0.0000  107.244   18.527  123.856   11.252  123.856   11.252 -0.000000 0.000000 
1 1 1  -38    0   16 o  382.067   11.566  999.584   59.761   0.0000   0.0000  999.584   59.761  382.067   11.566  382.067   11.566 -0.000000 0.000000 
1 1 1  -38    0   17 o  367.312   11.362  923.700   56.430   0.0000   0.0000  923.700   56.430  367.312   11.362  367.312   11.362 -0.000000 0.000000 
1 1 1  -38    0   18 o  286.980   7.2549  560.819   28.173   0.0000   0.0000  560.819   28.173  286.980   7.2549  286.980   7.2549 -0.000000 0.000000 
1 1 1  -38    0   19 o  121.184   7.3198  102.775   11.743  108.601   16.097   96.148   17.168  125.177   9.6202  117.192   11.035 -0.000000 0.000000 
1 1 1  -38    0   20 o  293.141   7.1339  587.836   28.259  598.082   39.934  577.558   39.996  295.736   9.9903  290.546   10.187 -0.000000 0.000000 
1 1 1  -38    0   21 o  365.736   7.8168  915.188   38.656  937.164   54.990  893.719   54.352  370.110   10.986  361.362   11.123 -0.000000 0.000000 
1 1 1  -38    0   23 o  115.182   11.067   92.983   16.908   92.983   16.908   0.0000   0.0000  115.182   11.067  115.182   11.067 -0.000000 0.000000 
1 1 1  -38    0   24 o   53.532   12.295   24.607   8.5864   14.777   11.434   37.318   13.002   38.132   18.671   68.931   16.003 -0.000000 0.000000 
1 1 1  -38    0   25 o  170.087   6.8589  199.142   15.679  203.371   21.919  194.711   22.438  172.016   9.4687  168.159   9.9258 -0.000000 0.000000 
1 1 1  -38    0   26 o  101.237   8.2123   72.853   10.848   76.033   15.034   69.400   15.668  103.878   10.959   98.596   12.234 -0.000000 0.000000 
1 1 1  -38    0   27 o  183.145   6.8059  229.539   16.743  209.376   22.949  252.488   24.482  174.469   9.7765  191.821   9.4710 -0.000000 0.000000 
1 1 1  -38    0   28 o  499.383   9.3974  1711.76   63.493  1704.21   89.592  1719.38   89.995  498.274   13.290  500.491   13.290 -0.000000 0.000000 
1 1 1  -38    0   29 o  411.926   8.3601  1161.66   46.561  1202.04   66.965  1123.87   64.783  418.869   11.819  404.984   11.827 -0.000000 0.000000 
1 1 1  -38    0   30 f  319.022   7.4596  696.497   32.162  676.305   45.068  717.450   45.910  314.278   10.610  323.766   10.489 -0.000000 0.000000 
1 1 1  -38    0   31 o  109.062   8.5230   84.804   11.767  106.708   16.974   64.538   16.327  123.823   10.279   94.300   13.598 -0.000000 0.000000 
1 1 1  -38    0   32 o  483.196   9.3140  1603.04   60.863  1622.74   87.463  1584.54   84.749  486.015   13.302  480.377   13.040 -0.000000 0.000000 
1 1 1  -38    0   33 o  337.883   10.820  781.997   49.426   0.0000   0.0000  781.997   49.426  337.883   10.820  337.883   10.820 -0.000000 0.000000 
1 1 1  -38    0   34 o  285.163   10.295  557.133   39.665   0.0000   0.0000  557.133   39.665  285.163   10.295  285.163   10.295 -0.000000 0.000000 
1 1 1  -38    0   35 o  221.125   7.0307  334.898   20.943  358.984   30.352  313.007   28.935  228.775   9.8316  213.475   10.053 -0.000000 0.000000 
1 1 1  -38    0   36 o  301.787   7.4082  624.219   30.212  622.143   42.920  626.259   42.536  301.266   10.542  302.308   10.411 -0.000000 0.000000 
1 1 1  -38    0   37 o  124.568   7.8263  108.354   12.956  115.260   18.723  102.010   17.947  128.503   10.934  120.632   11.200 -0.000000 0.000000 
1 1 1  -38    0   38 f  233.097   7.1212  371.877   22.362  400.454   32.638  346.593   30.699  241.576   10.009  224.618   10.133 -0.000000 0.000000 
1 1 1  -38    0   39 o  298.677   7.4681  611.680   30.115  577.990   42.115  646.932   43.080  290.170   10.744  307.183   10.376 -0.000000 0.000000 
1 1 1  -38    0   40 o  569.648   10.494  2233.73   80.724  2096.36  110.140  2393.18  118.659  550.805   14.780  588.490   14.901 -0.000000 0.000000 
1 1 1  -38    0   41 o  355.829   11.343  869.711   54.567  869.711   54.567   0.0000   0.0000  355.829   11.343  355.829   11.343 -0.000000 0.000000 
1 1 1  -38    0   42 o  199.696   7.4052  274.538   19.811  312.685   28.668  239.670   27.408  213.221   9.9715  186.171   10.951 -0.000000 0.000000 
1 1 1  -38    0   43 o  191.509   7.2072  253.180   18.560  244.211   26.567  261.732   25.940  188.063   10.499  194.955   9.8764 -0.000000 0.000000 
1 1 1  -38    0   44 o  269.809   7.3396  500.231   26.740  505.647   38.301  495.082   37.348  271.211   10.457  268.407   10.302 -0.000000 0.000000 
1 1 1  -38    0   45 o  245.751   7.2401  412.477   23.929  455.538   35.665  377.224   32.270  257.383   10.262  234.120   10.216 -0.000000 0.000000 
1 1 1  -38    0   46 o  156.335   7.6108  169.415   15.814  173.042   24.058  166.657   20.985  157.586   11.403  155.084   10.083 -0.000000 0.000000 
1 1 1  -38    0   47 o  101.371   9.5649   73.349   12.302   80.805   19.443   68.372   15.886  105.384   14.371   97.358   12.627 -0.000000 0.000000 
1 1 1  -38    0   48 o   58.088   14.267   30.481   10.015   31.546   15.853   29.773   12.920   57.841   21.671   58.335   18.561 -0.000000 0.000000 
1 1 1  -38    0   49 o  107.552   8.8225   82.196   12.297   87.117   18.877   78.569   16.207  110.117   13.145  104.988   11.771 -0.000000 0.000000 
1 1 1  -38    0   50 o  116.211   8.5552   95.980   13.001   95.802   19.615   96.120   17.364  115.736   12.918  116.685   11.219 -0.000000 0.000000 
1 1 1  -38    0   51 o  178.989   7.2918  220.714   17.483  237.254   26.188  207.416   23.482  184.975   10.525  173.004   10.095 -0.000000 0.000000 
1 1 1  -38    0   52 o  114.508   8.4376   92.562   12.669   98.930   19.383   87.813   16.739  117.774   12.464  111.243   11.377 -0.000000 0.000000 
1 1 1  -38    0   53 o   36.264   19.085   13.659   12.451   0.0000   0.0000   13.659   12.451   36.264   19.085   36.264   19.085 -0.000000 0.000000 
1 1 1  -38    0   54 o   81.959   12.588   55.112   11.579   46.099   18.694   60.722   14.749   72.683   21.785   91.235   12.618 -0.000000 0.000000 
1 1 1  -38    0   55 o   63.228   14.341   33.608   10.747   46.922   17.841   26.025   13.465   74.472   20.445   51.983   20.116 -0.000000 0.000000 
1 1 1  -38    0   56 o   84.791   11.809   57.873   11.395   46.330   17.595   66.211   14.954   73.941   20.308   95.642   12.059 -0.000000 0.000000 
1 1 1  -38    0   57 o   61.746   12.543   36.857   10.112   18.568   15.696   49.833   13.221   41.540   21.546   81.951   12.848 -0.000000 0.000000 
1 1 1  -38    0   58 o  181.892   7.2907  231.428   17.754  217.941   25.840  243.488   24.435  176.513   10.898  187.271   9.6875 -0.000000 0.000000 
1 1 1  -38    0   59 o  100.606   13.748   74.531   17.751   74.531   17.751   0.0000   0.0000  100.606   13.748  100.606   13.748 -0.000000 0.000000 
1 1 1  -38    0   60 o   43.934   21.315   20.859   14.846   20.859   14.846   0.0000   0.0000   43.934   21.315   43.934   21.315 -0.000000 0.000000 
1 1 1  -38    0   61 o  172.015   7.3509  208.609   16.853  190.134   24.610  224.924   23.126  164.289   11.173  179.741   9.5562 -0.000000 0.000000 
1 1 1  -38    0   62 o  132.202   7.8640  123.368   13.732  129.275   21.064  119.001   18.109  134.642   11.751  129.762   10.454 -0.000000 0.000000 
1 1 1  -38    0   63 o   75.299   12.236   47.189   10.660   39.622   16.040   53.176   14.268   66.611   20.339   83.987   13.607 -0.000000 0.000000 
1 1 1  -38    0   64 o   98.536   9.3164   72.034   11.612   69.956   17.676   73.612   15.401   96.387   14.502  100.685   11.700 -0.000000 0.000000 
1 1 1  -38    0   65 f  274.927   7.5014  529.844   27.805  522.986   40.353  536.043   38.365  272.930   10.951  276.923   10.255 -0.000000 0.000000 
1 1 1  -38    0   66 o   76.849   12.172   46.140   10.870   60.101   17.607   37.543   13.817   87.304   16.637   66.393   17.772 -0.000000 0.000000 
1 1 1  -38    0   67 o   43.289   11.360   18.118   9.4770  -6.3968   15.224   33.629   12.109   23.221   15.807   63.356   16.319 -0.000000 0.000000 
1 1 1  -38    0   68 o  133.404   8.0737  127.766   14.142  128.187   21.858  127.463   18.548  132.936   12.380  133.872   10.367 -0.000000 0.000000 
1 1 1  -38    0   69 o  202.147   9.7576  287.076   26.588   0.0000   0.0000  287.076   26.588  202.147   9.7576  202.147   9.7576 -0.000000 0.000000 
1 1 1  -38    0   70 o   74.544   14.990   44.100   13.424   0.0000   0.0000   44.100   13.424   74.544   14.990   74.544   14.990 -0.000000 0.000000 
1 1 1  -38    0   71 o   83.734   13.223   53.358   13.885   0.0000   0.0000   53.358   13.885   83.734   13.223   83.734   13.223 -0.000000 0.000000 
1 1 1  -38    0   72 o   90.802   12.377   61.623   14.429   0.0000   0.0000   61.623   14.429   90.802   12.377   90.802   12.377 -0.000000 0.000000 
1 1 1  -38    0   73 o   87.895   12.832   58.370   14.332   0.0000   0.0000   58.370   14.332   87.895   12.832   87.895   12.832 -0.000000 0.000000 
1 1 1  -38    1    1 o  249.381   4.7294  424.194   15.981  425.248   22.810  423.178   22.396  249.672   6.7417  249.090   6.6347 0.5817566 9.458881 
1 1 1  -38    1    2 o   65.950   6.6260   29.838   5.9198   30.210   8.5007   29.488   8.2486   66.341   9.4556   65.558   9.2848 0.7827606 13.25199 
1 1 1  -38    1    3 o  137.356   4.7386  128.672   8.8186  127.262   12.545  130.049   12.400  136.602   6.7767  138.109   6.6252 -1.507690 9.477189 
1 1 1  -38    1    4 o  183.002   4.6570  228.232   11.546  221.008   16.206  235.679   16.454  180.052   6.6418  185.951   6.5297 -5.899033 9.314028 
1 1 1  -38    1    5 o  332.765   5.2371  755.872   23.615  758.293   33.579  753.502   33.218  333.283   7.4348  332.247   7.3779 1.035645 10.47427 
1 1 1  -38    1    6 o  174.772   4.6365  208.063   10.979  213.451   15.713  202.923   15.346  176.983   6.5514  172.562   6.5625 4.421249 9.272908 
1 1 1  -38    1    7 o  167.846   5.8792  196.376   12.484  181.760   21.563  203.744   15.311  162.768   9.7759  172.924   6.5337 -10.15562 11.75831 
1 1 1  -38    1    8 o  185.187   6.6646  235.411   16.691  219.583   23.701  250.985   23.510  178.923   9.7751  191.452   9.0618 -12.52983 13.32923 
1 1 1  -38    1    9 o  171.167   6.7370  200.830   15.613  200.104   22.532  201.501   21.654  170.826   9.7335  171.507   9.3171 -0.6806793 13.47404 
1 1 1  -38    1   10 o  355.177   7.7662  863.627   37.265  776.391   50.950  963.968   54.644  335.878   11.194  374.475   10.768 -38.59741 15.53238 
1 1 1  -38    1   11 o  497.597   9.4072  1714.41   63.427  1716.52   90.355  1712.36   89.059  497.826   13.393  497.367   13.214 0.4591064 18.81436 
1 1 1  -38    1   12 o  417.037   5.9391  1188.45   33.561  1167.49   47.183  1209.92   47.748  413.304   8.4243  420.769   8.3739 -7.464905 11.87815 
1 1 1  -38    1   13 o  321.492   5.2564  704.391   22.890  729.163   32.946  681.274   31.827  326.951   7.4360  316.033   7.4315 10.91776 10.51290 
1 1 1  -38    1   14 o  218.411   4.8705  324.924   14.411  335.999   20.608  314.324   20.161  222.059   6.8482  214.763   6.9275 7.295715 9.741066 
1 1 1  -38    1   15 o  523.552   6.8590  1878.20   48.663  1868.34   68.756  1888.09   68.885  522.166   9.7167  524.938   9.6835 -2.772156 13.71803 
1 1 1  -38    1   16 o   99.128   5.9177   67.322   7.8956   57.857   11.077   77.095   11.257   91.974   8.8878  106.282   7.8157 -14.30825 11.83544 
1 1 1  -38    1   17 o  449.905   8.8261  1391.52   53.700  1484.66   79.086  1311.84   73.148  463.753   12.584  436.058   12.379 27.69510 17.65215 
1 1 1  -38    1   18 o  156.627   6.5407  167.452   13.862  159.541   18.984  176.490   20.290  152.687   9.1747  160.566   9.3247 -7.879440 13.08150 
1 1 1  -38    1   19 o  168.989   5.4326  192.564   10.960  190.063   12.735  199.707   21.521  167.171   5.6217  170.807   9.2978 -3.636414 10.86523 
1 1 1  -38    1   20 o  163.161   5.6026  181.051   12.388  181.051   12.388   0.0000   0.0000  163.161   5.6026  ?   ?       ?      ? 
1 1 1  -38    1   21 o  430.097   7.3912  1281.02   40.797  1306.45   50.496  1233.23   69.230  437.222   8.5227  422.973   12.078 14.24939 14.78232 
1 1 1  -38    1   22 o   80.648   6.2277   44.478   6.8062   44.536   9.6133   44.420   9.6375   80.702   8.7903   80.594   8.8242 0.1079025 12.45540 
1 1 1  -38    1   23 o  536.451   6.9371  1971.54   50.419  2015.31   72.225  1929.95   70.417  542.243   9.8290  530.658   9.7921 11.58502 13.87425 
1 1 1  -38    1   24 o  220.983   4.7684  332.699   14.279  328.422   20.172  336.994   20.215  219.553   6.7799  222.413   6.7070 -2.859711 9.536876 
1 1 1  -38    1   25 o  336.614   5.3238  772.846   24.282  756.668   34.056  789.574   34.631  333.026   7.5463  340.202   7.5117 -7.175079 10.64770 
1 1 1  -38    1   26 o  430.679   6.0315  1267.96   35.201  1273.73   49.938  1262.26   49.626  431.650   8.5373  429.708   8.5222 1.941406 12.06294 
1 1 1  -38    1   27 o  541.316   10.017  2034.61   73.474  2052.45  104.500  2017.18  103.325  543.644   14.185  538.988   14.146 4.656616 20.03303 
1 1 1  -38    1   28 o  387.416   7.0141  1016.55   34.615  992.257   42.058  1067.57   60.945  381.099   8.1438  393.732   11.422 -12.63235 14.02820 
1 1 1  -38    1   29 o  170.006   6.1492  205.413   13.207  222.016   16.396  174.728   22.289  180.501   6.7029  159.512   10.311 20.98969 12.29840 
1 1 1  -38    1   30 o  202.823   5.8868  280.629   15.276  279.419   18.724  283.036   26.416  202.466   6.8243  203.180   9.5941 -0.7145386 11.77357 
1 1 1  -38    1   31 o  175.233   5.8668  206.882   13.207  200.613   16.160  219.493   22.920  171.527   6.9522  178.939   9.4522 -7.412323 11.73354 
1 1 1  -38    1   32 o  181.953   4.8679  225.281   11.988  241.239   17.367  210.758   16.569  188.107   6.8130  175.799   6.9549 12.30788 9.735895 
1 1 1  -38    1   33 f  350.987   5.4839  841.334   26.080  855.948   37.241  827.270   36.534  353.974   7.7637  347.999   7.7470 5.974304 10.96772 
1 1 1  -38    1   34 o  195.886   4.8716  261.782   12.918  246.817   18.183  277.036   18.357  190.200   7.0544  201.572   6.7204 -11.37166 9.743117 
1 1 1  -38    1   35 o  149.065   6.1070  148.693   11.597  162.299   20.596  142.377   14.032  153.700   9.8884  144.430   7.1695 9.270248 12.21404 
1 1 1  -38    1   36 o   67.212   9.4282   31.603   7.9471   33.166   13.928   30.849   9.6769   67.503   15.547   66.921   10.671 0.5824738 18.85638 
1 1 1  -38    1   37 o  260.309   5.0243  462.609   17.722  462.044   25.201  463.162   24.927  260.139   7.1489  260.478   7.0617 -0.3385315 10.04860 
1 1 1  -38    1   38 o  215.475   6.1211  320.378   16.757  311.911   29.104  324.577   20.495  212.890   10.088  218.060   6.9356 -5.170090 12.24225 
1 1 1  -38    1   39 o  208.516   6.0658  294.442   16.000  308.126   28.528  288.163   19.325  211.591   9.9494  205.440   6.9414 6.150467 12.13153 
1 1 1  -38    1   40 o  132.662   5.4025  120.543   9.6986  116.310   13.924  124.532   13.517  130.356   7.8821  134.967   7.3905 -4.611206 10.80492 
1 1 1  -38    1   41 o  283.093   5.1737  547.674   19.842  559.427   28.467  536.568   27.673  286.036   7.3441  280.150   7.2891 5.886047 10.34733 
1 1 1  -38    1   42 o  161.738   5.2194  178.881   11.431  169.421   16.013  188.710   16.323  157.353   7.5096  166.124   7.2509 -8.771179 10.43880 
1 1 1  -38    1   43 o  325.745   6.7481  739.264   28.173  758.146   34.885  703.859   47.770  332.701   7.7375  318.788   11.058 13.91302 13.49616 
1 1 1  -38    1   44 o  148.831   5.3343  151.368   10.715  171.247   15.531  133.311   14.802  158.198   7.2444  139.465   7.8318 18.73296 10.66859 
1 1 1  -38    1   45 o  141.701   5.3610  137.462   10.290  142.947   14.790  132.315   14.325  144.444   7.5557  138.958   7.6073 5.485809 10.72193 
1 1 1  -38    1   46 o  316.742   5.4081  687.867   23.213  688.350   32.959  687.391   32.698  316.839   7.6763  316.646   7.6201 0.1932373 10.81626 
1 1 1  -38    1   47 o  118.655   5.8045   96.962   9.3085   89.491   13.224  104.298   13.105  114.043   8.5569  123.267   7.8453 -9.224228 11.60902 
1 1 1  -38    1   48 o   85.194   7.1192   50.507   7.9458   68.193   11.627   35.010   10.884   99.506   8.6228   70.882   11.331 28.62427 14.23850 
1 1 1  -38    1   49 o  117.248   5.7195   94.649   9.0779   91.322   12.974   97.841   12.707  115.178   8.3120  119.318   7.8587 -4.140091 11.43891 
1 1 1  -38    1   50 o  133.032   5.4127  121.382   9.7465  129.706   14.108  113.782   13.481  137.406   7.5765  128.658   7.7321 8.747803 10.82535 
1 1 1  -38    1   51 o  179.184   6.0604  222.960   14.067  226.429   17.581  216.786   23.453  181.634   7.1426  176.734   9.7926 4.900116 12.12074 
1 1 1  -38    1   52 o  134.682   6.3365  123.774   11.179  118.898   13.992  132.381   18.590  131.392   7.8582  137.972   9.9427 -6.580536 12.67309 
1 1 1  -38    1   53 o  229.584   5.1029  362.362   15.874  355.434   22.430  369.314   22.469  227.356   7.2801  231.812   7.1525 -4.455597 10.20577 
1 1 1  -38    1   54 o  293.528   6.5014  600.394   24.504  591.473   41.739  605.085   30.269  290.689   10.596  296.367   7.5368 -5.678223 13.00277 
1 1 1  -38    1   55 o  260.096   6.2473  460.749   20.775  495.976   36.477  443.837   25.275  266.370   10.105  253.823   7.3480 12.54710 12.49455 
1 1 1  -38    1   56 o  184.748   5.1364  235.160   12.857  240.756   18.389  229.809   17.982  186.899   7.2606  182.597   7.2672 4.301636 10.27271 
1 1 1  -38    1   57 o  202.538   5.1077  283.168   14.004  269.478   19.855  296.720   19.755  197.566   7.4162  207.510   7.0253 -9.943817 10.21538 
1 1 1  -38    1   58 o   67.853   10.427   33.783   8.6386   35.260   16.404   33.216   10.162   67.163   17.754   68.543   10.940 -1.380241 20.85411 
1 1 1  -38    1   59 o  117.368   7.3961   97.718   10.715   95.980   19.560   98.463   12.808  115.615   12.484  119.120   7.9341 -3.504478 14.79215 
1 1 1  -38    1   60 o  173.669   6.6018  217.068   14.441  228.179   17.748  195.303   24.839  181.611   7.2114  165.727   11.060 15.88435 13.20355 
1 1 1  -38    1   61 o  225.404   6.4251  356.665   18.366  357.271   22.389  355.419   32.114  227.074   7.2757  223.734   10.592 3.340561 12.85025 
1 1 1  -38    1   62 o   87.032   6.5394   53.320   7.7097   52.303   10.975   54.311   10.832   86.158   9.4003   87.905   9.0934 -1.746956 13.07877 
1 1 1  -38    1   63 o   90.196   6.4551   57.308   7.8897   57.749   11.207   56.875   11.109   90.537   9.1342   89.854   9.1236 0.6833267 12.91022 
1 1 1  -38    1   64 o   60.940   8.4992   27.580   6.8660   24.421   9.8721   30.541   9.5556   56.634   13.120   65.246   10.807 -8.611919 16.99841 
1 1 1  -38    1   65 o   34.500   9.3381   6.5077   6.1914   9.5058   8.8809   3.6726   8.6361   37.676   13.590   31.323   12.810 6.353020 18.67620 
1 1 1  -38    1   66 o  114.465   5.8170   92.401   8.9469   78.308   12.544  106.996   12.765  105.255   8.7943  123.675   7.6164 -18.42008 11.63394 
1 1 1  -38    1   67 o  116.489   5.7346   95.533   9.0421   90.191   12.761  100.918   12.814  113.100   8.3263  119.877   7.8877 -6.777428 11.46924 
1 1 1  -38    1   68 o  102.967   7.0292   76.633   9.3435   77.832   11.659   74.481   15.622  105.042   8.1904  100.891   11.426 4.151276 14.05837 
1 1 1  -38    1   69 o  125.798   7.3397  114.243   12.480  126.107   18.145  103.592   17.193  132.169   10.131  119.426   10.623 12.74301 14.67945 
1 1 1  -38    1   70 o   67.956   9.7761   35.340   8.9685   55.723   13.487   19.179   12.009   86.991   11.441   48.920   15.856 38.07080 19.55229 
1 1 1  -38    1   71 o   94.275   8.1209   65.933   10.280   56.432   14.520   75.483   14.557   86.830   12.340  101.720   10.561 -14.88996 16.24185 
1 1 1  -38    1   72 f   43.955   9.3070   11.182   7.7977  -6.5927   10.966   29.365   11.091   27.014   12.532   60.896   13.763 -33.88221 18.61393 
1 1 1  -38    1   73 f   80.508   12.291   48.804   13.410   0.0000   0.0000   48.804   13.410  ?   ?    80.508   12.291      ?      ? 
1 1 1  -38    1   74 o   75.902   13.805   45.514   13.676   0.0000   0.0000   45.514   13.676  ?   ?    75.902   13.805      ?      ? 
1 1 1  -38    2    1 o  204.014   4.5477  283.866   12.566  282.496   18.059  285.151   17.495  203.513   6.5480  204.514   6.3127 -1.001785 9.095447 
1 1 1  -38    2    2 o  201.112   4.5823  275.563   12.480  281.582   18.052  270.053   17.272  203.199   6.5559  199.025   6.4040 4.174118 9.164646 
1 1 1  -38    2    3 o  122.022   4.8579  101.404   8.0251  105.902   11.665   97.363   11.058  124.581   6.9096  119.463   6.8304 5.118454 9.715820 
1 1 1  -38    2    4 o  252.594   4.7809  435.296   16.360  426.929   23.279  443.461   22.996  250.169   6.8667  255.019   6.6542 -4.850113 9.561893 
1 1 1  -38    2    5 o  360.851   5.4431  889.708   26.612  869.959   37.593  909.547   37.678  356.807   7.7748  364.896   7.6198 -8.088837 10.88617 
1 1 1  -38    2    6 o  112.237   5.1101   85.931   7.7687   87.142   11.188   84.803   10.796  112.991   7.3067  111.482   7.1460 1.508980 10.22026 
1 1 1  -38    2    7 o  161.950   4.7027  178.360   10.307  191.216   14.963  166.752   14.218  167.499   6.5922  156.401   6.7086 11.09729 9.405413 
1 1 1  -38    2    8 o  308.898   5.1219  651.078   21.430  625.530   30.183  677.050   30.432  302.753   7.3569  315.043   7.1282 -12.29001 10.24377 
1 1 1  -38    2    9 o  285.130   5.0064  554.526   19.340  551.994   27.618  556.962   27.090  284.469   7.1643  285.791   6.9949 -1.322021 10.01285 
1 1 1  -38    2   10 o  245.213   4.8298  409.624   16.040  417.002   23.150  402.810   22.246  247.319   6.9073  243.107   6.7527 4.211853 9.659664 
1 1 1  -38    2   11 o  232.107   4.8041  367.459   15.099  354.207   21.487  380.386   21.221  227.937   6.9563  236.277   6.6277 -8.340012 9.608166 
1 1 1  -38    2   12 o  377.596   5.6500  973.615   28.900  937.213   40.549  1011.20   41.201  370.391   8.0786  384.801   7.9011 -14.41000 11.30005 
1 1 1  -38    2   13 o  206.758   6.7594  291.309   18.939   0.0000   0.0000  291.309   18.939  ?   ?   206.758   6.7594      ?      ? 
1 1 1  -38    2   14 o  311.134   10.130  664.276   42.710   0.0000   0.0000  664.276   42.710  ?   ?   311.134   10.130      ?      ? 
1 1 1  -38    2   15 o  247.448   5.9355  421.834   19.079  430.713   23.947  406.404   31.568  251.360   7.0303  243.536   9.5654 7.824142 11.87106 
1 1 1  -38    2   16 o  158.939   5.8485  170.378   12.172  164.294   15.230  181.131   20.249  155.217   7.2408  162.660   9.1864 -7.442307 11.69699 
1 1 1  -38    2   17 o  223.897   5.4530  343.194   14.526  344.369   16.916  339.896   28.346  225.019   5.5475  222.774   9.3896 2.244522 10.90592 
1 1 1  -38    2   18 o  202.105   5.4479  282.071   13.111  285.822   15.314  271.776   25.371  205.006   5.5124  199.204   9.3986 5.802414 10.89589 
1 1 1  -38    2   19 o  257.179   5.6338  458.441   17.293  466.373   20.247  437.052   33.248  261.836   5.7062  252.523   9.7159 9.312469 11.26765 
1 1 1  -38    2   20 o  208.521   5.4119  296.556   13.491  296.372   15.737  297.068   26.207  208.748   5.5631  208.294   9.2846 0.4544220 10.82371 
1 1 1  -38    2   21 o  226.833   5.3941  341.784   14.617  331.808   16.927  371.029   28.983  220.861   5.6557  232.806   9.1870 -11.94563 10.78829 
1 1 1  -38    2   22 o  170.605   5.4018  196.778   11.140  194.565   13.044  202.741   21.414  169.119   5.6917  172.090   9.1826 -2.970917 10.80351 
1 1 1  -38    2   23 o  244.661   5.8676  409.885   18.395  411.692   22.632  406.368   31.575  245.796   6.7946  243.525   9.5680 2.271851 11.73513 
1 1 1  -38    2   24 o  323.478   6.3770  702.789   26.225  678.717   31.726  754.718   46.598  315.418   7.4225  331.538   10.372 -16.11972 12.75406 
1 1 1  -38    2   25 o  214.164   6.7660  312.556   19.636  312.556   19.636   0.0000   0.0000  214.164   6.7660  ?   ?       ?      ? 
1 1 1  -38    2   26 o  405.683   7.1301  1121.49   36.944  1105.81   45.109  1153.42   64.387  402.248   8.2753  409.118   11.614 -6.870270 14.26024 
1 1 1  -38    2   27 f  237.767   5.8370  380.252   17.843  367.601   21.835  405.678   30.956  232.210   6.9390  243.324   9.3880 -11.11378 11.67405 
1 1 1  -38    2   28 o  259.739   4.9298  460.001   17.350  459.273   24.739  460.706   24.338  259.522   7.0343  259.956   6.9088 -0.4335938 9.859691 
1 1 1  -38    2   29 o  297.384   5.1308  603.391   20.676  599.055   29.328  607.677   29.153  296.308   7.3039  298.460   7.2080 -2.151764 10.26170 
1 1 1  -38    2   30 o  322.038   5.2805  707.933   23.043  704.490   32.667  711.342   32.510  321.247   7.5040  322.828   7.4312 -1.581543 10.56090 
1 1 1  -38    2   31 o  169.333   4.8988  195.620   11.237  191.555   16.000  199.577   15.784  167.577   7.0459  171.088   6.8081 -3.510864 9.797638 
1 1 1  -38    2   32 o  104.892   8.2459   76.165   11.678   69.248   16.600   82.942   16.431  100.066   12.241  109.719   11.051 -9.653214 16.49178 
1 1 1  -38    2   33 o  384.147   8.1883  1016.68   42.582  1073.95   61.837  965.040   58.724  394.421   11.569  373.874   11.591 20.54623 16.37651 
1 1 1  -38    2   34 o  270.639   5.0186  499.929   18.404  494.866   26.103  504.935   25.953  269.261   7.1536  272.017   7.0407 -2.756531 10.03724 
1 1 1  -38    2   35 o  127.913   6.2765  104.224   10.306  137.657   18.550   89.298   12.395  141.563   9.6697  114.262   8.0047 27.30103 12.55301 
1 1 1  -38    2   36 o  215.936   5.9774  318.039   16.409  323.149   28.780  315.578   19.973  216.821   9.7951  215.051   6.8537 1.769653 11.95475 
1 1 1  -38    2   37 o  231.994   6.1220  353.727   17.728  408.112   33.088  331.831   20.996  243.531   10.026  220.457   7.0278 23.07318 12.24402 
1 1 1  -38    2   38 o  182.299   6.1479  229.807   14.141  222.512   24.845  233.303   17.199  179.732   10.201  184.866   6.8654 -5.134216 12.29590 
1 1 1  -38    2   39 o   39.479   9.5865   9.8729   6.3466   6.1899   9.3220   13.055   8.6648   35.701   13.712   43.258   13.400 -7.557842 19.17302 
1 1 1  -38    2   40 o  120.730   5.4007   99.221   8.8119  109.381   12.980   90.537   12.001  126.443   7.5754  115.018   7.6996 11.42418 10.80141 
1 1 1  -38    2   41 o  154.017   5.1080  162.187   10.652  162.357   15.396  162.032   14.751  154.065   7.3745  153.969   7.0700 0.9564209E-01 10.21608 
1 1 1  -38    2   42 o  184.232   4.9695  232.002   12.402  233.110   17.808  230.958   17.282  184.639   7.1173  183.826   6.9375 0.8124695 9.939036 
1 1 1  -38    2   43 o  154.340   5.1574  163.144   10.778  158.068   15.390  168.030   15.099  151.944   7.4741  156.736   7.1087 -4.792389 10.31485 
1 1 1  -38    2   44 o   74.311   10.308   46.341   9.4714   59.053   11.702   22.195   16.127   92.576   9.3278   56.046   18.386 36.53033 20.61683 
1 1 1  -38    2   45 o  100.942   8.1853   72.229   10.304   74.511   12.482   67.346   18.258  104.045   8.8525   97.839   13.771 6.206223 16.37059 
1 1 1  -38    2   46 o  300.776   5.3029  620.284   21.611  609.927   30.598  630.595   30.529  298.237   7.5708  303.316   7.4273 -5.078583 10.60577 
1 1 1  -38    2   47 o  188.915   5.0379  244.443   12.893  246.939   18.501  242.085   17.978  189.832   7.1920  187.997   7.0566 1.835434 10.07572 
1 1 1  -38    2   48 o  221.411   5.0427  335.066   15.108  359.872   22.017  312.993   20.769  229.148   7.0901  213.674   7.1726 15.47421 10.08547 
1 1 1  -38    2   49 o  191.110   5.9786  247.218   14.894  235.983   18.491  267.977   25.134  185.426   7.3586  196.793   9.4247 -11.36674 11.95717 
1 1 1  -38    2   50 o  183.522   6.0501  233.006   14.484  234.749   18.221  230.015   23.870  184.915   7.2715  182.129   9.6716 2.786041 12.10014 
1 1 1  -38    2   51 o  262.983   5.1646  475.106   18.402  477.606   26.325  472.717   25.732  263.627   7.3689  262.339   7.2382 1.288055 10.32922 
1 1 1  -38    2   52 o   96.637   6.2885   64.436   8.2127   71.491   11.965   58.152   11.293  101.669   8.6845   91.605   9.0972 10.06398 12.57694 
1 1 1  -38    2   53 o  118.720   5.7355   97.212   9.2225  100.929   13.298   93.768   12.801  120.903   8.1163  116.537   8.1061 4.365845 11.47099 
1 1 1  -38    2   54 o  109.215   5.9536   82.442   8.8050   86.271   12.734   78.933   12.188  111.643   8.4168  106.788   8.4225 4.855095 11.90716 
1 1 1  -38    2   55 o  119.684   6.6260   95.034   10.230  115.451   18.026   85.336   12.424  128.348   10.364  111.021   8.2581 17.32695 13.25191 
1 1 1  -38    2   56 o   42.503   13.845   12.806   9.1510   0.0000   0.0000   12.806   9.1510  ?   ?    42.503   13.845      ?      ? 
1 1 1  -38    2   57 o   89.370   8.2954   53.253   9.1718   65.688   17.563   48.590   10.755   95.387   13.587   83.353   9.5214 12.03447 16.59089 
1 1 1  -38    2   58 o  244.728   5.1285  413.279   16.995  426.540   24.639  401.244   23.472  248.425   7.3190  241.031   7.1861 7.393753 10.25703 
1 1 1  -38    2   59 f  176.766   5.1430  215.907   12.313  222.863   17.786  209.504   17.062  179.477   7.3127  174.054   7.2337 5.423767 10.28605 
1 1 1  -38    2   60 o  194.662   5.0818  262.173   13.400  265.416   19.283  259.145   18.633  195.779   7.2681  193.545   7.1044 2.233887 10.16359 
1 1 1  -38    2   61 o  107.323   7.7883   85.527   10.294   91.459   12.524   73.175   18.073  114.555   8.0676  100.091   13.325 14.46418 15.57663 
1 1 1  -38    2   62 o   48.821   10.492   19.186   8.0799   24.661   9.7622   7.2768   14.397   57.167   12.907   40.475   16.545 16.69167 20.98431 
1 1 1  -38    2   63 o   99.049   6.0446   68.853   8.1053   68.849   11.723   68.858   11.219   98.968   8.7408   99.131   8.3515 -0.1622467 12.08926 
1 1 1  -38    2   64 o   70.704   7.8411   37.010   7.0889   26.404   9.9488   47.948   10.103   59.011   12.809   82.397   9.0484 -23.38562 15.68223 
1 1 1  -38    2   65 o   72.567   7.6870   38.654   7.2140   29.804   10.085   47.928   10.323   62.928   12.267   82.206   9.2670 -19.27739 15.37403 
1 1 1  -38    2   66 o   60.350   9.6156   29.371   7.7955   35.348   10.038   20.290   12.373   70.026   10.578   50.675   16.060 19.35094 19.23125 
1 1 1  -38    2   67 o  162.110   6.1454  187.904   12.944  193.092   16.318  179.101   21.259  166.226   7.2441  157.995   9.9291 8.231796 12.29082 
1 1 1  -38    2   68 o   92.011   7.3317   61.674   8.7758   63.093   11.079   59.284   14.377   94.313   8.6687   89.708   11.827 4.604164 14.66335 
1 1 1  -38    2   69 o   58.166   9.7771   25.755   7.4335   22.569   9.4170   31.022   12.108   53.859   13.041   62.473   14.570 -8.613800 19.55425 
1 1 1  -38    2   70 o   73.164   9.6092   41.177   9.3216   45.167   13.440   37.479   12.939   77.484   12.800   68.844   14.335 8.639626 19.21839 
1 1 1  -38    2   71 o   69.965   9.9049   38.654   9.1777   31.633   13.191   45.241   12.777   62.105   15.673   77.825   12.115 -15.72040 19.80988 
1 1 1  -38    2   72 o   75.891   13.555   45.013   13.429   0.0000   0.0000   45.013   13.429  ?   ?    75.891   13.555      ?      ? 
1 1 1  -38    2   73 o   82.583   12.075   51.242   13.513   0.0000   0.0000   51.242   13.513  ?   ?    82.583   12.075      ?      ? 
1 1 1  -38    2   74 o   96.048   11.417   68.793   14.860   0.0000   0.0000   68.793   14.860  ?   ?    96.048   11.417      ?      ? 
1 1 1  -38    3    1 o  194.196   5.5857  263.035   14.099  277.347   17.886  239.551   22.912  201.612   6.5466  186.779   9.0521 14.83293 11.17135 
1 1 1  -38    3    2 o  163.183   5.6065  185.525   11.889  195.017   15.065  169.848   19.361  169.070   6.5752  157.295   9.0829 11.77518 11.21304 
1 1 1  -38    3    3 o  157.169   4.6454  168.586   9.8789  166.757   14.328  170.244   13.639  156.324   6.7635  158.013   6.3697 -1.688721 9.290744 
1 1 1  -38    3    4 o  144.402   4.7490  142.513   9.2692  137.987   13.469  146.585   12.775  142.179   6.9909  146.625   6.4296 -4.446121 9.497997 
1 1 1  -38    3    5 o  120.398   4.9933   98.468   8.1232  105.213   12.064   92.874   10.987  124.138   7.1716  116.659   6.9499 7.479019 9.986691 
1 1 1  -38    3    6 o  204.721   4.6582  285.184   12.901  295.438   18.915  276.264   17.642  208.132   6.7063  201.311   6.4670 6.821289 9.316437 
1 1 1  -38    3    7 o  117.052   5.1164   94.205   8.0529   86.065   11.803  101.295   11.015  112.221   7.7611  121.882   6.6691 -9.661530 10.23285 
1 1 1  -38    3    8 o  319.019   5.2373  695.458   22.618  679.753   32.504  710.201   31.493  315.458   7.6035  322.579   7.2045 -7.120605 10.47464 
1 1 1  -38    3    9 o  194.017   6.4995  256.545   17.089   0.0000   0.0000  256.545   17.089  ?   ?   194.017   6.4995      ?      ? 
1 1 1  -38    3   10 o  266.258   4.9367  482.059   17.779  507.344   26.146  460.313   24.247  272.708   7.0749  259.807   6.8870 12.90128 9.873424 
1 1 1  -38    3   11 o  233.276   4.8279  371.458   15.243  359.208   21.866  383.040   21.261  229.486   7.0312  237.066   6.6180 -7.579956 9.655828 
1 1 1  -38    3   12 o  570.959   7.3079  2240.33   56.541  2229.13   80.170  2251.41   79.753  569.498   10.388  572.420   10.281 -2.921997 14.61574 
1 1 1  -38    3   13 o  223.923   4.8354  341.448   14.656  349.509   21.341  334.254   20.162  226.397   6.9560  221.449   6.7186 4.948822 9.670833 
1 1 1  -38    3   14 o  211.334   4.8350  304.445   13.833  304.970   20.025  303.966   19.131  211.480   6.9875  211.189   6.6846 0.2916412 9.670015 
1 1 1  -38    3   15 o  284.949   5.7109  560.012   19.438  566.008   22.730  543.691   37.499  288.392   5.8162  281.507   9.8300 6.884399 11.42175 
1 1 1  -38    3   16 o  256.019   5.4452  435.885   16.573  423.802   19.148  471.967   33.088  249.578   5.6616  262.460   9.3031 -12.88148 10.89043 
1 1 1  -38    3   17 o  296.831   5.7500  599.528   20.330  596.732   23.643  607.459   39.822  296.104   5.8922  297.557   9.8758 -1.453064 11.49995 
1 1 1  -38    3   18 o  238.829   5.8382  385.461   18.202  373.961   22.706  406.138   30.446  234.160   7.1556  243.499   9.2269 -9.339218 11.67638 
1 1 1  -38    3   19 o  164.035   6.7762  183.074   15.006  203.234   22.381  166.611   20.225  172.175   9.5925  155.896   9.5736 16.27969 13.55244 
1 1 1  -38    3   20 o  246.701   5.8054  414.546   18.399  411.550   22.633  420.384   31.595  245.725   6.7969  247.678   9.4134 -1.953049 11.61080 
1 1 1  -38    3   21 o  311.377   6.2505  664.546   25.006  666.724   30.847  660.372   42.706  312.621   7.2814  310.133   10.161 2.488129 12.50093 
1 1 1  -38    3   22 o  262.109   5.8878  461.726   19.778  446.003   24.117  494.010   34.559  255.763   6.9584  268.455   9.4997 -12.69264 11.77553 
1 1 1  -38    3   23 o  286.590   5.7682  557.063   19.749  552.330   22.983  570.417   38.608  284.856   5.9538  288.324   9.8814 -3.468445 11.53647 
1 1 1  -38    3   24 f  212.412   5.5292  314.294   14.207  322.259   16.802  294.311   26.612  217.624   5.6972  207.200   9.4778 10.42361 11.05835 
1 1 1  -38    3   25 o  226.456   4.7782  349.639   14.659  345.828   20.908  353.325   20.559  225.223   6.8504  227.689   6.6632 -2.466049 9.556459 
1 1 1  -38    3   26 f  584.384   9.1572  2369.80   68.395  2378.67   83.982  2352.31  117.860  588.170   10.537  580.598   14.980 7.572693 18.31432 
1 1 1  -38    3   27 o  234.738   5.9392  375.026   17.867  371.168   21.907  382.690   30.878  233.297   6.9293  236.179   9.6477 -2.882584 11.87831 
1 1 1  -38    3   28 o  268.614   4.9668  492.172   18.078  492.703   25.762  491.656   25.374  268.744   7.0739  268.484   6.9741 0.2600708 9.933690 
1 1 1  -38    3   29 o  211.275   4.8064  304.138   13.755  313.146   19.800  295.736   19.123  214.292   6.8184  208.258   6.7759 6.034012 9.612737 
1 1 1  -38    3   30 o  325.467   5.2785  723.185   23.277  732.349   33.306  714.435   32.544  327.469   7.5053  323.466   7.4244 4.002686 10.55700 
1 1 1  -38    3   31 o  115.619   6.5552   91.353   9.5586   92.616   17.008   90.769   11.556  115.946   10.825  115.292   7.3967 0.6541443 13.11035 
1 1 1  -38    3   32 o  216.344   5.9552  324.038   16.373  309.694   28.284  331.268   20.080  212.301   9.8313  220.387   6.7233 -8.086655 11.91045 
1 1 1  -38    3   33 o  131.577   6.5691  123.393   10.745  106.633   18.766  131.566   13.105  124.308   11.140  138.846   6.9652 -14.53883 13.13818 
1 1 1  -38    3   34 o  159.271   4.9322  173.220   10.632  171.671   15.381  174.638   14.715  158.557   7.1582  159.984   6.7872 -1.426941 9.864353 
1 1 1  -38    3   35 o  164.678   4.9258  184.871   10.973  189.369   16.079  180.951   15.012  166.521   7.1254  162.834   6.8031 3.687119 9.851594 
1 1 1  -38    3   36 o  169.968   4.9310  197.531   11.342  189.278   16.230  205.406   15.855  166.451   7.1955  173.484   6.7440 -7.033020 9.861907 
1 1 1  -38    3   37 o  205.093   6.1273  293.411   15.807  274.908   27.679  302.367   19.257  199.723   10.227  210.463   6.7519 -10.73952 12.25451 
1 1 1  -38    3   38 o  216.647   7.0535  323.337   20.707  324.735   29.450  321.970   29.121  217.097   10.010  216.196   9.9398 0.9011688 14.10697 
1 1 1  -38    3   39 o  152.647   6.2814  159.742   12.123  160.870   21.432  159.212   14.700  152.672   10.359  152.622   7.1077 0.4995728E-01 12.56282 
1 1 1  -38    3   40 o  195.886   4.9581  261.542   13.138  274.457   19.295  250.378   17.939  200.359   7.1063  191.413   6.9159 8.945358 9.916116 
1 1 1  -38    3   41 o   87.334   6.4554   52.232   7.6194   55.827   11.292   49.228   10.324   90.061   9.2524   84.606   9.0044 5.455139 12.91074 
1 1 1  -38    3   42 o  227.824   4.9833  354.940   15.379  357.754   22.097  352.297   21.417  228.674   7.1307  226.974   6.9632 1.699905 9.966565 
1 1 1  -38    3   43 f  115.473   5.7491   91.565   8.9700   91.059   13.177   92.002   12.245  115.117   8.4467  115.830   7.8014 -0.7136307 11.49818 
1 1 1  -38    3   44 o  164.180   5.1389  184.758   11.422  180.785   16.407  188.495   15.911  162.420   7.4545  165.940   7.0755 -3.520370 10.27773 
1 1 1  -38    3   45 o  300.585   6.6154  621.062   25.302  616.171   30.836  631.140   44.264  299.722   7.5919  301.448   10.836 -1.725372 13.23071 
1 1 1  -38    3   46 o  243.578   6.4167  410.128   19.734  411.549   23.950  407.122   34.828  245.042   7.2125  242.114   10.615 2.927689 12.83349 
1 1 1  -38    3   47 o  206.769   5.9610  289.946   16.014  279.138   19.829  310.216   27.156  201.747   7.2530  211.790   9.4619 -10.04292 11.92199 
1 1 1  -38    3   48 o  120.001   6.6826  102.249   10.461  111.340   13.499   88.580   16.552  127.251   7.8280  112.752   10.833 14.49899 13.36528 
1 1 1  -38    3   49 o  189.511   5.0759  246.802   13.018  238.582   18.686  254.556   18.148  186.365   7.3988  192.657   6.9511 -6.292068 10.15188 
1 1 1  -38    3   50 o  228.363   5.0809  358.356   15.709  353.089   22.609  363.272   21.843  226.664   7.3606  230.062   7.0061 -3.397873 10.16188 
1 1 1  -38    3   51 o  240.221   5.1126  396.085   16.624  408.087   24.211  385.377   22.868  243.610   7.3338  236.831   7.1253 6.778214 10.22521 
1 1 1  -38    3   52 o  157.365   5.1899  170.245   11.050  173.319   16.143  167.535   15.158  158.644   7.5090  156.086   7.1662 2.557724 10.37973 
1 1 1  -38    3   53 o  241.618   5.1103  402.085   16.722  393.072   23.901  410.725   23.402  238.882   7.3834  244.354   7.0673 -5.472488 10.22066 
1 1 1  -38    3   54 o   47.128   10.749   16.697   7.6732   8.2631   15.458   19.455   8.8391   42.965   17.296   51.292   12.767 -8.327454 21.49776 
1 1 1  -38    3   55 o   73.398   10.118   44.817   8.8155   27.900   15.996   52.196   10.565   60.201   18.123   86.595   9.0028 -26.39441 20.23568 
1 1 1  -38    3   56 o  119.192   6.8677   96.107   10.416  109.409   18.668   90.094   12.551  124.399   11.074  113.986   8.1257 10.41312 13.73543 
1 1 1  -38    3   57 o  104.350   7.2499   76.584   9.6117   76.895   16.773   76.432   11.728  103.814   11.923  104.886   8.2516 -1.072105 14.49976 
1 1 1  -38    3   58 o   94.887   6.2795   62.880   8.0479   63.081   11.875   62.709   10.944   94.912   9.2330   94.862   8.5137 0.5019379E-01 12.55907 
1 1 1  -38    3   59 o   90.082   6.4691   56.994   7.8624   55.587   11.584   58.196   10.706   88.891   9.6164   91.272   8.6558 -2.381790 12.93826 
1 1 1  -38    3   60 o   69.888   8.0011   36.140   7.1920   27.482   10.358   44.199   9.9936   60.492   13.021   79.284   9.3016 -18.79150 16.00226 
1 1 1  -38    3   61 o  166.749   5.1347  193.014   11.599  190.904   16.562  195.044   16.248  165.794   7.3717  167.703   7.1497 -1.909241 10.26938 
1 1 1  -38    3   62 o   62.458   10.264   34.087   8.6439   41.855   10.350   16.171   15.717   76.774   9.9478   48.142   17.957 28.63200 20.52855 
1 1 1  -38    3   63 o  194.464   5.1084  263.073   13.462  263.480   19.047  262.667   19.029  194.615   7.2223  194.312   7.2265 0.3035278 10.21685 
1 1 1  -38    3   64 o  119.612   5.5998  100.257   9.0725   97.529   12.891  102.934   12.771  117.926   8.0663  121.298   7.7695 -3.371590 11.19961 
1 1 1  -38    3   65 o   70.950   9.0716   40.533   8.0240   49.598   10.391   27.145   12.628   83.592   9.1733   58.307   15.653 25.28501 18.14323 
1 1 1  -38    3   66 o   44.681   10.311   15.100   7.0977   14.416   9.2594   16.074   11.052   43.555   13.903   45.808   15.230 -2.252331 20.62137 
1 1 1  -38    3   67 o   86.276   7.4682   53.695   8.5041   52.968   10.852   54.851   13.689   86.148   9.2960   86.403   11.691 -0.2549210 14.93639 
1 1 1  -38    3   68 o  192.192   6.0549  261.471   15.138  259.983   18.938  264.105   25.195  192.656   7.2537  191.728   9.6971 0.9282990 12.10989 
1 1 1  -38    3   69 o   47.614   10.169   18.342   7.3059   21.857   9.4170   13.027   11.579   52.854   13.190   42.374   15.482 10.48046 20.33889 
1 1 1  -38    3   70 f   82.417   9.5469   53.220   10.025   37.024   14.137   69.601   14.218   67.302   15.775   97.531   10.757 -30.22897 19.09384 
1 1 1  -38    3   71 o  105.819   10.958   82.382   15.713   0.0000   0.0000   82.382   15.713  ?   ?   105.819   10.958      ?      ? 
1 1 1  -38    3   72 o  101.721   11.193   76.596   15.429   0.0000   0.0000   76.596   15.429  ?   ?   101.721   11.193      ?      ? 
1 1 1  -38    3   73 o   92.764   11.633   64.328   14.624   0.0000   0.0000   64.328   14.624  ?   ?    92.764   11.633      ?      ? 
1 1 1  -38    3   74 o   69.826   14.661   39.537   13.431   0.0000   0.0000   39.537   13.431  ?   ?    69.826   14.661      ?      ? 
1 1 1  -38    3   75 o   93.640   11.847   66.232   15.033   0.0000   0.0000   66.232   15.033  ?   ?    93.640   11.847      ?      ? 
1 1 1  -38    4    1 o  185.692   4.5394  234.292   11.368  245.572   17.081  225.323   15.232  189.638   6.6466  181.746   6.1845 7.892044 9.078849 
1 1 1  -38    4    2 o  133.954   4.7413  123.953   8.5018  109.489   12.538  136.265   11.567  126.538   7.3117  141.370   6.0380 -14.83274 9.482562 
1 1 1  -38    4    3 o  145.092   4.6380  143.037   9.0748  149.822   13.640  137.648   12.155  148.127   6.7950  142.056   6.3143 6.070862 9.275908 
1 1 1  -38    4    5 o   95.549   7.1830   62.372   9.3007   0.0000   0.0000   62.372   9.3007  ?   ?    95.549   7.1830      ?      ? 
1 1 1  -38    4    6 o  182.346   5.6907  229.885   13.502  236.269   17.018  219.038   22.183  186.070   6.7491  178.622   9.1643 7.448654 11.38133 
1 1 1  -38    4    7 o   92.862   6.9580   61.562   8.3273   68.533   10.669   50.692   13.322  100.095   7.8652   85.629   11.480 14.46521 13.91605 
1 1 1  -38    4    8 o  173.531   4.6957  205.414   11.006  205.242   16.230  205.560   14.976  173.417   6.9061  173.645   6.3642 -0.2286072 9.391373 
1 1 1  -38    4    9 o  189.503   4.7418  245.586   12.128  236.888   17.778  253.158   16.588  186.292   7.0424  192.715   6.3517 -6.423309 9.483611 
1 1 1  -38    4   10 o  143.986   5.8776  139.562   10.586  148.009   19.332  135.945   12.652  146.781   9.7193  141.192   6.6122 5.588074 11.75530 
1 1 1  -38    4   11 o  210.402   5.7878  300.775   15.300  308.501   27.502  297.312   18.413  211.971   9.5741  208.832   6.5063 3.138901 11.57565 
1 1 1  -38    4   12 o   86.210   7.3320   50.994   7.8651   51.497   14.318   50.778   9.4123   86.254   12.250   86.167   8.0607 0.8701324E-01 14.66393 
1 1 1  -38    4   13 o  167.655   5.5324  194.448   11.970  200.177   14.942  184.186   19.998  171.378   6.4339  163.932   9.0020 7.446442 11.06484 
1 1 1  -38    4   14 o  176.231   5.4904  213.311   12.418  215.683   15.330  208.783   21.176  177.908   6.3587  174.554   8.9523 3.354599 10.98075 
1 1 1  -38    4   15 o  278.305   5.5505  519.572   18.390  509.193   21.302  549.936   36.436  273.503   5.7476  283.108   9.4972 -9.604950 11.10096 
1 1 1  -38    4   16 o  102.945   6.1951   76.924   7.5240   82.273   8.8914   63.432   14.121  109.920   5.9691   95.971   10.857 13.94948 12.39014 
1 1 1  -38    4   17 o  127.859   5.5164  111.937   8.5311  112.225   10.028  111.182   16.232  128.401   5.7630  127.317   9.4080 1.084106 11.03284 
1 1 1  -38    4   18 f   76.439   6.8339   39.328   6.4712   38.232   7.6743   42.026   12.039   74.820   7.5690   78.058   11.381 -3.237846 13.66788 
1 1 1  -38    4   19 o   54.371   8.6439   21.659   5.8558   23.001   6.9517   18.378   10.866   57.951   8.8522   50.791   14.849 7.159370 17.28770 
1 1 1  -38    4   20 o   84.903   6.4272   47.708   6.7497   45.415   7.9607   53.572   12.731   81.577   7.2011   88.228   10.648 -6.650589 12.85437 
1 1 1  -38    4   21 o  125.424   6.1371  107.457   10.236  106.426   13.230  108.993   16.156  124.799   7.8228  126.050   9.4583 -1.251038 12.27419 
1 1 1  -38    4   22 o  116.866   6.3288   93.915   9.8600   95.575   12.906   91.589   15.282  118.233   8.0548  115.499   9.7639 2.734680 12.65758 
1 1 1  -38    4   23 f  279.123   5.6509  530.367   18.994  527.717   22.226  537.545   36.577  278.401   5.8912  279.845   9.6450 -1.444336 11.30185 
1 1 1  -38    4   24 o  178.956   5.3227  215.153   11.641  210.589   13.694  227.047   22.107  175.886   5.7452  182.026   8.9620 -6.139984 10.64542 
1 1 1  -38    4   25 o  169.023   5.3402  192.122   11.069  188.158   13.051  202.278   20.890  166.245   5.7932  171.800   8.9728 -5.554703 10.68047 
1 1 1  -38    4   26 o   80.727   8.2226   48.242   8.1918   56.520   10.582   35.861   12.941   90.851   8.5950   70.603   14.020 20.24829 16.44523 
1 1 1  -38    4   27 o  222.371   5.8651  343.444   16.609  323.170   28.455  353.921   20.454  216.920   9.6799  227.822   6.6254 -10.90129 11.73013 
1 1 1  -38    4   28 o  156.941   6.8446  169.141   14.549  161.401   20.394  177.161   20.760  153.255   9.8199  160.627   9.5374 -7.372086 13.68914 
1 1 1  -38    4   29 o  188.799   5.9351  246.569   14.483  252.813   18.093  235.433   24.165  192.472   6.9369  185.126   9.6323 7.345642 11.87024 
1 1 1  -38    4   30 o  187.940   4.7655  241.538   12.104  223.358   17.231  259.251   17.008  180.885   7.0293  194.995   6.4364 -14.10977 9.530930 
1 1 1  -38    4   31 o  101.437   5.5987   69.970   7.6713   75.935   11.417   65.061   10.358  105.344   7.9978   97.530   7.8368 7.814926 11.19736 
1 1 1  -38    4   32 o  189.127   4.8004  244.536   12.280  229.499   17.483  259.177   17.251  183.328   7.0373  194.926   6.5309 -11.59818 9.600840 
1 1 1  -38    4   33 o   96.714   5.9023   64.316   7.6979   61.262   11.291   66.969   10.522   94.498   8.8174   98.929   7.8488 -4.430542 11.80467 
1 1 1  -38    4   34 o  287.474   5.1082  564.961   19.892  550.970   28.264  578.692   28.001  283.905   7.3466  291.044   7.0995 -7.139038 10.21641 
1 1 1  -38    4   35 o  145.626   5.1408  145.934   10.074  129.900   14.515  160.839   13.994  137.764   7.7747  153.488   6.7278 -15.72404 10.28153 
1 1 1  -38    4   36 o  147.521   5.0776  148.189   10.128  157.574   14.942  140.211   13.776  151.811   7.2633  143.232   7.0974 8.578644 10.15520 
1 1 1  -38    4   37 o  200.658   4.8864  275.433   13.270  266.577   19.047  283.788   18.500  197.469   7.1176  203.848   6.6969 -6.378738 9.772874 
1 1 1  -38    4   38 o  289.247   5.1622  572.333   20.226  573.686   29.030  571.056   28.197  289.542   7.3985  288.952   7.2011 0.5895691 10.32446 
1 1 1  -38    4   39 o  316.901   5.3258  687.333   22.863  699.592   32.888  675.868   31.804  319.607   7.5935  314.195   7.4697 5.411652 10.65161 
1 1 1  -38    4   40 o  241.146   6.1312  395.590   18.686  411.286   33.313  388.385   22.571  243.996   10.075  238.296   6.9897 5.699997 12.26231 
1 1 1  -38    4   41 o  115.585   7.2853   97.746   10.280   79.177   18.116  106.564   12.484  106.438   12.560  124.732   7.3856 -18.29472 14.57056 
1 1 1  -38    4   42 o  305.699   5.3271  640.698   22.061  637.170   31.569  644.065   30.841  304.825   7.6424  306.573   7.4234 -1.748016 10.65425 
1 1 1  -38    4   43 o  227.052   7.2596  356.840   22.325  347.178   30.957  367.310   32.225  223.883   10.204  230.221   10.329 -6.337662 14.51911 
1 1 1  -38    4   44 o  278.789   10.517  539.539   39.734  539.539   39.734   0.0000   0.0000  278.789   10.517  ?   ?       ?      ? 
1 1 1  -38    4   45 o  239.616   6.0986  391.603   18.980  381.657   23.551  410.030   32.057  235.865   7.3682  243.366   9.7203 -7.500916 12.19728 
1 1 1  -38    4   46 o  160.954   6.5944  182.818   13.524  190.770   16.740  167.874   22.947  166.702   7.4101  155.206   10.910 11.49580 13.18872 
1 1 1  -38    4   47 o  159.475   6.4070  173.949   13.140  169.907   16.128  181.926   22.658  157.234   7.5694  161.716   10.339 -4.482086 12.81391 
1 1 1  -38    4   48 o  266.780   5.1446  488.721   18.589  493.569   26.785  484.216   25.819  268.006   7.3750  265.554   7.1748 2.451996 10.28926 
1 1 1  -38    4   49 o  279.191   5.2169  536.150   19.725  514.082   27.873  558.291   27.919  273.352   7.5244  285.030   7.2282 -11.67789 10.43374 
1 1 1  -38    4   50 o  145.527   5.2198  145.774   10.277  144.721   14.931  146.722   14.168  144.960   7.6005  146.093   7.1565 -1.132751 10.43956 
1 1 1  -38    4   51 o  179.596   5.1045  221.841   12.407  223.857   18.052  220.037   17.079  180.304   7.3882  178.889   7.0455 1.415482 10.20904 
1 1 1  -38    4   52 o   83.219   9.0941   49.130   8.8610   51.881   17.054   48.112   10.371   83.265   15.689   83.173   9.2013 0.9221649E-01 18.18828 
1 1 1  -38    4   53 o  223.195   6.3988  351.736   17.892  332.375   31.569  360.897   21.716  217.432   10.714  228.960   6.9990 -11.52797 12.79757 
1 1 1  -38    4   54 o   96.486   6.2239   64.999   8.1028   61.161   11.778   68.448   11.165   93.631   9.2827   99.341   8.2935 -5.709450 12.44790 
1 1 1  -38    4   55 o  234.943   5.0910  380.527   16.196  393.139   23.474  369.069   22.375  238.617   7.2595  231.268   7.1394 7.348892 10.18195 
1 1 1  -38    4   56 f   70.450   7.9434   36.025   7.3019   32.859   10.909   38.595   9.8286   66.763   12.517   74.138   9.7830 -7.375191 15.88674 
1 1 1  -38    4   57 o  241.423   6.2440  402.739   19.136  420.197   33.801  394.504   23.215  243.991   10.223  238.855   7.1722 5.135544 12.48790 
1 1 1  -38    4   58 f  170.630   5.1517  201.686   11.905  201.145   17.125  202.192   16.560  170.340   7.4190  170.920   7.1497 -0.5804138 10.30336 
1 1 1  -38    4   59 o  173.162   5.1331  208.219   12.024  196.509   17.129  219.596   16.884  168.214   7.5141  178.110   6.9951 -9.896500 10.26611 
1 1 1  -38    4   60 o   79.858   6.8848   45.174   7.4231   44.388   10.914   45.850   10.126   79.051   10.188   80.666   9.2630 -1.615150 13.76970 
1 1 1  -38    4   61 o   39.300   9.6660   10.757   6.3363   9.0843   9.4295   12.133   8.5558   37.747   13.943   40.854   13.391 -3.106510 19.33198 
1 1 1  -38    4   62 f   42.292   10.560   12.895   7.6236   15.798   9.1924   6.5004   13.644   45.613   13.740   38.971   16.039 6.641251 21.11930 
1 1 1  -38    4   63 o   91.361   9.0865   59.089   11.250   59.089   11.250   0.0000   0.0000   91.361   9.0865  ?   ?       ?      ? 
1 1 1  -38    4   64 o   50.442   10.242   19.228   7.2630   16.221   9.3120   23.898   11.605   45.947   13.826   54.936   15.115 -8.988224 20.48459 
1 1 1  -38    4   65 o   88.375   7.4393   55.275   8.6974   51.451   11.012   61.615   14.180   84.861   9.5761   91.888   11.387 -7.026802 14.87857 
1 1 1  -38    4   66 o  148.395   6.2203  157.026   12.050  159.081   15.222  153.575   19.722  150.657   7.4557  146.133   9.9591 4.523392 12.44068 
1 1 1  -38    4   67 o   85.757   7.7420   54.686   8.6346   58.171   11.047   49.213   13.843   90.322   9.0254   81.192   12.582 9.129395 15.48398 
1 1 1  -38    4   68 o  147.891   6.1652  153.697   11.939  148.028   14.957  163.652   19.819  145.032   7.6100  150.750   9.7018 -5.718521 12.33031 
1 1 1  -38    4   69 o  158.601   7.5456  184.003   16.071  182.337   24.290  185.299   21.432  157.138   11.407  160.065   9.8805 -2.927017 15.09113 
1 1 1  -38    4   70 o   57.849   11.641   28.536   9.5945   24.467   15.386   31.125   12.273   53.634   17.972   62.064   14.800 -8.430248 23.28212 
1 1 1  -38    4   71 o  123.104   10.494  111.026   17.507   0.0000   0.0000  111.026   17.507  ?   ?   123.104   10.494      ?      ? 
1 1 1  -38    4   72 o  100.812   11.423   75.710   15.606   0.0000   0.0000   75.710   15.606  ?   ?   100.812   11.423      ?      ? 
1 1 1  -38    4   73 f  147.753   10.231  160.105   20.485   0.0000   0.0000  160.105   20.485  ?   ?   147.753   10.231      ?      ? 
1 1 1  -38    4   74 f  140.995   10.311  146.374   19.701   0.0000   0.0000  146.374   19.701  ?   ?   140.995   10.311      ?      ? 
1 1 1  -38    4   75 o  137.018   10.479  139.066   19.458   0.0000   0.0000  139.066   19.458  ?   ?   137.018   10.479      ?      ? 
1 1 1  -38    5    1 o  229.561   6.2227  359.760   19.358   0.0000   0.0000  359.760   19.358  ?   ?   229.561   6.2227      ?      ? 
1 1 1  -38    5    2 o  240.702   5.6315  392.681   17.782  379.536   22.325  415.494   29.411  235.583   6.9930  245.820   8.8290 -10.23676 11.26294 
1 1 1  -38    5    3 o  210.419   5.5209  302.859   15.303  301.140   19.459  305.647   24.775  209.911   6.8406  210.928   8.6675 -1.017273 11.04172 
1 1 1  -38    5    4 o  135.034   4.7731  126.446   8.5873  111.241   12.878  138.619   11.523  127.493   7.4538  142.575   5.9641 -15.08214 9.546220 
1 1 1  -38    5    5 o  242.529   4.7203  402.496   15.468  389.350   22.532  414.215   21.273  238.691   6.9660  246.367   6.3719 -7.675156 9.440605 
1 1 1  -38    5    6 o   74.435   6.0985   37.566   6.0760   40.881   9.5068   35.277   7.9000   77.124   9.0963   71.746   8.1254 5.377884 12.19693 
1 1 1  -38    5    7 o  101.222   5.2042   69.644   7.0895   73.503   10.784   66.707   9.4083  103.635   7.6787   98.808   7.0264 4.826874 10.40833 
1 1 1  -38    5    8 o  104.322   5.1888   74.159   7.2871   76.492   11.026   72.349   9.7098  105.728   7.6958  102.917   6.9621 2.810989 10.37767 
1 1 1  -38    5    9 o  248.427   4.7854  420.851   16.077  428.413   23.590  414.292   21.970  250.457   6.9503  246.396   6.5797 4.061234 9.570727 
1 1 1  -38    5   10 o  168.993   5.7739  192.730   12.676  185.867   15.694  205.607   21.498  164.966   7.0203  173.021   9.1687 -8.054977 11.54771 
1 1 1  -38    5   11 o  137.329   6.0474  129.704   10.764  130.759   13.428  127.807   18.002  138.350   7.1625  136.308   9.7460 2.042740 12.09485 
1 1 1  -38    5   12 o  121.640   5.3454   98.371   7.8873   95.067   9.2085  107.472   15.282  118.142   5.7518  125.139   9.0117 -6.997581 10.69083 
1 1 1  -38    5   13 o   66.399   7.7042   32.052   5.8707   33.337   6.8825   28.621   11.248   69.854   7.2707   62.944   13.585 6.909760 15.40846 
1 1 1  -38    5   14 o  176.408   5.4020  213.207   12.351  214.281   15.394  211.268   20.693  177.268   6.4081  175.548   8.6985 1.719879 10.80401 
1 1 1  -38    5   15 o  187.579   5.1050  239.635   11.655  238.751   13.732  241.914   22.043  187.290   5.4104  187.867   8.6586 -0.5767517 10.20998 
1 1 1  -38    5   16 o  105.867   5.7824   78.959   7.5347   82.420   9.0610   71.200   13.565  109.979   6.0797  101.755   9.8377 8.224602 11.56474 
1 1 1  -38    5   17 o  145.442   5.4039  150.077   9.5702  158.012   11.456  131.749   17.411  152.351   5.5489  138.533   9.2746 13.81841 10.80775 
1 1 1  -38    5   18 o  197.675   5.2141  267.940   12.562  269.225   14.845  264.699   23.576  198.873   5.5083  196.477   8.8547 2.396378 10.42825 
1 1 1  -38    5   19 o  201.918   8.8678  279.571   24.265   0.0000   0.0000  279.571   24.265  ?   ?   201.918   8.8678      ?      ? 
1 1 1  -38    5   20 o  201.309   5.5540  275.356   14.584  270.569   18.226  283.879   24.317  199.137   6.7538  203.481   8.8189 -4.343246 11.10791 
1 1 1  -38    5   21 o  152.275   5.6332  158.018   11.230  156.253   14.126  161.049   18.512  151.309   6.8891  153.241   8.9146 -1.931885 11.26633 
1 1 1  -38    5   22 o  110.326   6.1117   82.597   8.9528   79.485   11.465   87.459   14.331  107.800   7.8486  112.853   9.3708 -5.052925 12.22341 
1 1 1  -38    5   23 o  183.645   5.7095  230.550   13.934  229.451   18.005  232.190   22.000  183.278   7.2495  184.012   8.8226 -0.7341003 11.41900 
1 1 1  -38    5   24 o  163.185   8.9274  182.672   19.742   0.0000   0.0000  182.672   19.742  ?   ?   163.185   8.9274      ?      ? 
1 1 1  -38    5   25 o   73.275   7.0772   35.933   6.5980   34.113   7.9628   39.919   11.785   70.572   8.3262   75.979   11.447 -5.406540 14.15446 
1 1 1  -38    5   26 o  133.529   5.5739  120.809   9.2330  119.068   10.993  124.978   17.011  132.169   6.1378  134.890   9.3060 -2.721252 11.14789 
1 1 1  -38    5   27 o  140.910   5.4886  135.196   9.5942  134.250   11.444  137.434   17.601  140.354   6.0167  141.467   9.1813 -1.112930 10.97713 
1 1 1  -38    5   28 o  172.598   5.4389  204.738   11.565  206.106   13.774  201.466   21.294  173.928   5.8438  171.268   9.1748 2.659637 10.87780 
1 1 1  -38    5   29 o  254.706   4.9060  443.178   16.917  418.548   23.815  468.264   24.035  247.514   7.1003  261.899   6.7721 -14.38522 9.812004 
1 1 1  -38    5   30 o  111.132   6.5967   84.268   9.4903   82.788   11.749   87.047   16.098  109.966   7.8843  112.298   10.578 -2.330978 13.19335 
1 1 1  -38    5   31 o  108.305   6.6646   79.658   9.3844   77.154   11.643   84.300   15.854  106.119   8.0965  110.492   10.588 -4.373169 13.32917 
1 1 1  -38    5   32 o   75.210   6.6673   39.345   6.7138   35.114   9.9304   42.907   9.1119   71.338   10.272   79.083   8.5025 -7.744377 13.33451 
1 1 1  -38    5   33 o  251.888   4.9357  433.974   16.833  419.354   24.014  448.097   23.602  247.659   7.1553  256.117   6.8004 -8.457840 9.871357 
1 1 1  -38    5   34 o  131.370   5.1886  117.949   9.2092  119.653   13.602  116.507   12.513  132.200   7.5927  130.539   7.0738 1.660843 10.37724 
1 1 1  -38    5   35 o  212.894   4.8613  310.144   14.008  298.790   20.045  320.982   19.584  209.027   7.0767  216.762   6.6670 -7.735458 9.722568 
1 1 1  -38    5   36 o  246.606   4.9544  414.208   16.522  443.829   24.336  388.882   22.503  254.737   7.0497  238.475   6.9633 16.26227 9.908873 
1 1 1  -38    5   37 o  233.122   4.9527  371.444   15.626  377.577   22.759  365.973   21.493  234.894   7.1498  231.349   6.8555 3.545471 9.905433 
1 1 1  -38    5   38 o  214.294   4.9434  314.407   14.338  309.592   20.703  318.845   19.876  212.658   7.1840  215.930   6.7927 -3.271729 9.886878 
1 1 1  -38    5   39 o  110.037   5.7291   82.599   8.5127   90.119   12.703   76.469   11.469  114.538   8.1845  105.536   8.0191 9.001450 11.45824 
1 1 1  -38    5   40 o  114.208   6.4936   88.560   9.9184   81.825   12.845   98.508   15.610  109.018   8.6943  119.398   9.6476 -10.37981 12.98716 
1 1 1  -38    5   41 o  195.770   6.8220  264.955   18.031  265.518   26.680  264.481   24.462  195.792   10.056  195.748   9.2218 0.4362488E-01 13.64399 
1 1 1  -38    5   42 o  201.010   6.9147  281.375   18.713  251.658   26.916  309.178   26.035  190.380   10.433  211.640   9.0777 -21.26003 13.82930 
1 1 1  -38    5   43 o  136.893   5.2524  128.800   9.7136  126.179   14.223  131.091   13.298  135.510   7.7451  138.277   7.0968 -2.766998 10.50478 
1 1 1  -38    5   44 o  145.036   5.1238  144.449   10.041  143.098   14.737  145.621   13.717  144.327   7.5351  145.744   6.9453 -1.416870 10.24768 
1 1 1  -38    5   45 o  204.556   4.9694  287.397   13.756  278.957   19.788  295.290   19.137  201.568   7.2444  207.545   6.8042 -5.977707 9.938705 
1 1 1  -38    5   46 o  211.773   4.9865  307.798   14.298  309.392   20.680  306.337   19.789  212.244   7.1901  211.302   6.9111 0.9423523 9.973053 
1 1 1  -38    5   47 o  259.132   6.4250  460.442   21.169  451.376   25.712  479.517   37.295  256.179   7.4063  262.085   10.501 -5.905975 12.85008 
1 1 1  -38    5   48 o   46.787   11.346   14.406   8.2886   12.758   10.132   17.739   14.411   43.141   14.584   50.433   17.386 -7.292160 22.69251 
1 1 1  -38    5   49 o  291.380   7.4521  584.835   29.425   0.0000   0.0000  584.835   29.425  ?   ?   291.380   7.4521      ?      ? 
1 1 1  -38    5   50 o   83.431   15.137   51.773   16.484   0.0000   0.0000   51.773   16.484  ?   ?    83.431   15.137      ?      ? 
1 1 1  -38    5   51 o  282.712   6.6260  555.384   23.979  551.842   29.422  562.389   41.379  282.669   7.6809  282.755   10.799 -0.8529663E-01 13.25210 
1 1 1  -38    5   52 o  155.687   5.2392  167.141   11.036  170.413   16.129  164.260   15.133  157.052   7.5785  154.322   7.2362 2.729675 10.47840 
1 1 1  -38    5   53 o  104.854   6.0095   76.500   8.5061   75.505   12.541   77.347   11.576  104.097   8.8903  105.610   8.0882 -1.513412 12.01904 
1 1 1  -38    5   54 o   80.822   7.0878   47.041   7.5553   37.425   11.149   55.207   10.274   72.586   11.335   89.059   8.5128 -16.47295 14.17564 
1 1 1  -38    5   55 o   98.580   6.1295   68.030   8.1544   64.333   11.863   71.342   11.227   95.876   9.1308  101.283   8.1800 -5.406807 12.25903 
1 1 1  -38    5   56 o  116.753   5.7476   95.496   9.0306   86.393   13.098  103.745   12.468  111.192   8.6923  122.315   7.5221 -11.12291 11.49512 
1 1 1  -38    5   57 o   75.719   8.5135   38.492   8.1913   49.744   15.020   33.728   9.7724   82.506   13.434   68.932   10.462 13.57305 17.02693 
1 1 1  -38    5   58 f  164.770   5.1916  188.874   11.557  182.484   16.835  194.568   15.893  161.948   7.6710  167.593   6.9978 -5.644806 10.38327 
1 1 1  -38    5   59 o  140.128   5.2532  136.867   9.9474  126.267   14.140  147.253   13.997  134.583   7.7531  145.672   7.0903 -11.08919 10.50636 
1 1 1  -38    5   60 o   73.468   7.0705   38.298   7.0269   41.498   10.241   35.452   9.6591   76.396   9.8926   70.540   10.105 5.856049 14.14097 
1 1 1  -38    5   61 o   56.589   9.6641   23.471   7.3878   16.269   9.5596   34.151   11.641   46.168   14.035   67.009   13.289 -20.84112 19.32820 
1 1 1  -38    5   62 f  141.789   6.1788  139.135   11.533  130.501   14.491  154.054   19.049  136.475   7.8355  147.104   9.5559 -10.62852 12.35760 
1 1 1  -38    5   63 o   97.469   8.7826   67.251   11.600   67.251   11.600   0.0000   0.0000   97.469   8.7826  ?   ?       ?      ? 
1 1 1  -38    5   64 o   40.965   10.242   11.625   6.9813   9.5619   8.9561   14.819   11.145   37.547   13.632   44.383   15.290 -6.835800 20.48430 
1 1 1  -38    5   65 o  113.692   6.6650   93.092   9.9111   95.106   12.589   89.810   16.074  116.163   7.9974  111.222   10.664 4.940659 13.33001 
1 1 1  -38    5   66 o   61.261   9.5882   29.837   7.7343   32.847   9.8653   25.036   12.459   67.099   10.850   55.423   15.812 11.67604 19.17642 
1 1 1  -38    5   67 o  157.255   6.1419  172.774   12.697  162.945   15.935  189.863   21.012  152.036   7.7345  162.475   9.5431 -10.43925 12.28389 
1 1 1  -38    5   68 f   93.291   9.6325   68.755   11.362   57.599   17.590   76.741   14.882   84.190   16.003  102.392   10.726 -18.20246 19.26494 
1 1 1  -38    5   69 o   89.522   9.6272   63.413   10.987   52.182   16.571   72.223   14.677   79.982   15.850   99.063   10.933 -19.08147 19.25448 
1 1 1  -38    5   70 o   91.805   9.0963   64.630   11.117   60.469   16.945   67.773   14.730   88.095   14.194   95.515   11.380 -7.419899 18.19263 
1 1 1  -38    5   71 o   46.351   15.700   17.346   11.742   0.0000   0.0000   17.346   11.742  ?   ?    46.351   15.700      ?      ? 
1 1 1  -38    5   72 o  104.709   11.104   81.547   15.756   0.0000   0.0000   81.547   15.756  ?   ?   104.709   11.104      ?      ? 
1 1 1  -38    5   73 f   73.132   14.442   43.292   13.805   0.0000   0.0000   43.292   13.805  ?   ?    73.132   14.442      ?      ? 
1 1 1  -38    5   74 o  100.664   11.722   76.730   15.990   0.0000   0.0000   76.730   15.990  ?   ?   100.664   11.722      ?      ? 
1 1 1  -38    5   75 o   64.543   16.241   35.984   14.193   0.0000   0.0000   35.984   14.193  ?   ?    64.543   16.241      ?      ? 
1 1 1  -38    6    1 o  213.141   4.5985  312.576   13.126  296.934   19.865  324.699   17.488  208.210   7.0404  218.072   5.9176 -9.861893 9.197029 
1 1 1  -38    6    2 o  207.369   5.6443  286.311   14.129  315.450   27.627  275.989   16.442  213.698   9.5399  201.041   6.0352 12.65732 11.28864 
1 1 1  -38    6    3 o  176.548   5.7140  213.069   12.054  216.208   23.485  211.946   14.046  176.869   9.7982  176.228   5.8815 0.6409760 11.42792 
1 1 1  -38    6    4 o  245.592   5.8807  411.498   17.678  421.366   33.213  407.597   20.882  246.906   9.9266  244.277   6.3081 2.628433 11.76135 
1 1 1  -38    6    5 o  215.360   5.7587  315.197   15.147  325.911   28.634  311.034   17.848  217.276   9.7249  213.443   6.1706 3.832306 11.51735 
1 1 1  -38    6    6 o  107.747   7.0720   78.740   10.103   87.140   16.367   73.569   12.841  112.140   10.771  103.355   9.1680 8.784836 14.14409 
1 1 1  -38    6    7 o  175.412   6.4860  212.818   15.195  205.742   23.339  218.023   20.020  172.615   9.9775  178.210   8.2898 -5.594894 12.97193 
1 1 1  -38    6    8 o  161.839   5.8558  177.992   11.432  183.683   22.037  175.896   13.373  163.127   9.9690  160.550   6.1465 2.577164 11.71155 
1 1 1  -38    6    9 o   64.045   9.0377   32.217   6.5912   23.128   13.140   35.274   7.6191   56.346   16.288   71.744   7.8367 -15.39785 18.07534 
1 1 1  -38    6   10 o  199.383   5.8850  273.870   14.336  270.171   26.769  275.358   16.976  197.888   9.9822  200.878   6.2361 -2.990280 11.76997 
1 1 1  -38    6   11 o  147.162   5.4908  152.426   10.471  164.686   13.344  132.788   16.889  155.339   6.3392  138.986   8.9673 16.35352 10.98166 
1 1 1  -38    6   12 o  150.482   5.3312  151.642   10.484  143.020   13.030  167.474   17.657  144.716   6.6442  156.248   8.3391 -11.53246 10.66236 
1 1 1  -38    6   13 o  227.383   5.5116  352.207   16.983  352.207   16.983   0.0000   0.0000  227.383   5.5116  ?   ?       ?      ? 
1 1 1  -38    6   14 o  241.920   5.5964  398.728   18.347  398.728   18.347   0.0000   0.0000  241.920   5.5964  ?   ?       ?      ? 
1 1 1  -38    6   15 o  300.080   6.0318  617.132   23.398  615.401   29.018  620.350   39.556  300.043   7.1369  300.117   9.7261 -0.7452393E-01 12.06364 
1 1 1  -38    6   16 o  164.572   5.1251  182.792   10.340  179.639   12.200  190.831   19.483  162.394   5.5438  166.751   8.6218 -4.356613 10.25029 
1 1 1  -38    6   17 o  154.087   5.0862  158.118   9.7224  152.220   11.516  172.757   18.141  149.469   5.6854  158.704   8.4353 -9.235580 10.17240 
1 1 1  -38    6   18 o  158.818   5.0014  165.371   9.8967  155.438   11.707  190.247   18.526  151.036   5.7199  166.601   8.2059 -15.56448 10.00271 
1 1 1  -38    6   19 o  232.646   5.2951  371.532   15.072  373.246   17.856  367.287   28.107  234.066   5.6296  231.227   8.9699 2.839691 10.59014 
1 1 1  -38    6   20 o  160.770   5.0331  167.554   10.073  154.964   11.875  199.844   19.018  150.792   5.8115  170.748   8.2192 -19.95580 10.06620 
1 1 1  -38    6   21 o  159.795   5.1449  171.696   10.195  167.545   12.107  181.812   18.900  156.810   5.6976  162.779   8.5682 -5.968613 10.28970 
1 1 1  -38    6   22 o  155.576   5.3132  168.471   10.189  172.778   12.201  158.549   18.521  159.245   5.6541  151.907   8.9972 7.338104 10.62633 
1 1 1  -38    6   23 o  292.078   5.6555  577.335   19.924  568.945   23.285  600.268   38.496  288.884   5.9479  295.271   9.6209 -6.386688 11.31101 
1 1 1  -38    6   24 o  252.374   5.3811  423.982   16.503  409.624   19.290  463.192   31.877  245.152   5.8065  259.596   9.0614 -14.44394 10.76218 
1 1 1  -38    6   25 o  223.417   5.7537  338.042   16.974  324.594   21.508  360.250   27.640  217.853   7.2854  228.980   8.9075 -11.12703 11.50744 
1 1 1  -38    6   26 o  152.805   5.2498  153.524   10.042  144.268   11.924  176.108   18.626  145.443   6.0499  160.167   8.5814 -14.72462 10.49959 
1 1 1  -38    6   27 o  140.725   5.4514  135.436   9.6275  135.125   11.602  136.125   17.252  140.749   6.0828  140.702   9.0483 0.4594421E-01 10.90283 
1 1 1  -38    6   28 o  202.992   5.3494  282.232   13.428  282.401   16.011  281.833   24.656  203.527   5.8052  202.457   8.9868 1.069504 10.69874 
1 1 1  -38    6   29 o   56.791   8.9572   22.349   6.4873   19.781   8.0217   27.205   11.029   52.399   11.603   61.183   13.649 -8.784019 17.91448 
1 1 1  -38    6   30 o  165.595   5.3791  189.215   11.131  191.498   13.417  184.176   19.935  167.564   5.9085  163.627   8.9903 3.937103 10.75811 
1 1 1  -38    6   31 o  180.921   7.0288  223.888   17.233  223.888   17.233   0.0000   0.0000  180.921   7.0288  ?   ?       ?      ? 
1 1 1  -38    6   32 o  121.791   6.5140   98.185   10.274   89.552   12.556  115.676   17.871  114.231   8.1109  129.352   10.195 -15.12101 13.02808 
1 1 1  -38    6   33 o  223.765   4.8721  342.154   14.754  348.496   21.509  336.518   20.276  225.677   7.0331  221.852   6.7442 3.825119 9.744115 
1 1 1  -38    6   34 o  258.369   4.9993  456.568   17.485  464.236   25.408  449.671   24.098  260.379   7.2009  256.359   6.9368 4.020508 9.998539 
1 1 1  -38    6   35 o  181.858   4.9335  225.970   12.131  232.011   17.855  220.791   16.532  184.063   7.1584  179.652   6.7907 4.410660 9.866946 
1 1 1  -38    6   36 o  216.927   5.8068  323.371   16.548  323.137   20.982  323.755   26.918  217.204   7.1284  216.650   9.1685 0.5538483 11.61360 
1 1 1  -38    6   37 o  222.522   5.8203  338.701   17.015  333.248   21.495  347.851   27.847  220.522   7.1928  224.521   9.1523 -3.999542 11.64052 
1 1 1  -38    6   38 o  158.680   5.0696  173.050   10.863  165.839   15.832  179.466   14.933  155.458   7.5150  161.902   6.8065 -6.444046 10.13925 
1 1 1  -38    6   39 o  135.267   5.1917  125.303   9.4664  127.697   14.190  123.382   12.707  136.350   7.6799  134.183   6.9881 2.167114 10.38342 
1 1 1  -38    6   40 o  148.217   5.1036  151.277   10.197  144.138   14.993  157.421   13.909  144.842   7.6386  151.593   6.7705 -6.751022 10.20727 
1 1 1  -38    6   41 o  252.627   5.0338  437.928   17.206  436.469   25.015  439.239   23.704  252.137   7.3212  253.116   6.9105 -0.9796906 10.06758 
1 1 1  -38    6   42 o  198.279   6.0786  270.462   15.215  274.078   27.000  268.780   18.418  198.579   10.033  197.978   6.8650 0.6012878 12.15714 
1 1 1  -38    6   43 o  168.081   6.8839  193.828   15.680   0.0000   0.0000  193.828   15.680  ?   ?   168.081   6.8839      ?      ? 
1 1 1  -38    6   44 o   86.478   6.4703   51.533   7.5493   55.029   11.336   48.747   10.120   89.046   9.3947   83.911   8.8993 5.134895 12.94056 
1 1 1  -38    6   45 o   44.848   9.3319   14.754   6.4178   7.7026   9.7767   20.094   8.5074   37.330   14.113   52.365   12.213 -15.03504 18.66376 
1 1 1  -38    6   46 o  116.120   7.2175   96.899   10.134   87.822   18.740  100.651   12.048  111.327   12.422  120.913   7.3531 -9.586510 14.43490 
1 1 1  -38    6   47 f  197.479   6.2379  266.498   15.417  281.412   28.055  260.045   18.453  200.520   10.325  194.438   7.0032 6.081558 12.47577 
1 1 1  -38    6   48 o  155.695   6.5185  166.541   13.053  161.871   16.011  175.793   22.538  153.104   7.7172  158.286   10.507 -5.182129 13.03694 
1 1 1  -38    6   49 o  193.668   5.0720  258.849   13.286  252.311   19.240  264.809   18.369  191.210   7.4251  196.126   6.9115 -4.916473 10.14400 
1 1 1  -38    6   50 o  150.215   5.2786  155.992   10.695  154.568   15.862  157.179   14.483  149.440   7.8327  150.989   7.0783 -1.548477 10.55717 
1 1 1  -38    6   51 o  156.019   5.2387  168.617   11.034  163.231   16.161  173.321   15.102  153.527   7.7680  158.511   7.0308 -4.983994 10.47731 
1 1 1  -38    6   52 o   92.171   6.3900   58.905   7.9331   63.404   12.042   55.456   10.545   95.161   9.3379   89.180   8.7254 5.981171 12.78003 
1 1 1  -38    6   53 o  174.447   5.1104  211.135   12.042  198.360   17.363  222.974   16.715  169.171   7.5739  179.721   6.8631 -10.54997 10.22088 
1 1 1  -38    6   54 o   97.907   6.1190   67.019   8.0813   66.591   11.987   67.377   10.942   97.471   9.0748   98.342   8.2106 -0.8709564 12.23790 
1 1 1  -38    6   55 o  144.262   5.2867  144.493   10.306  144.094   15.136  144.838   14.072  143.944   7.7593  144.581   7.1825 -0.6373138 10.57336 
1 1 1  -38    6   56 o  153.644   7.5319  168.240   15.670  167.231   21.711  169.338   22.639  153.306   10.450  153.983   10.849 -0.6765747 15.06388 
1 1 1  -38    6   57 o   83.219   10.560   51.502   11.393   34.664   15.101   73.751   17.359   65.963   16.837  100.474   12.749 -34.51084 21.11948 
1 1 1  -38    6   58 o   54.448   11.300   23.465   8.9617   20.032   13.167   26.428   12.232   50.856   16.610   58.040   15.326 -7.183517 22.60002 
1 1 1  -38    6   59 o   33.776   9.6669   4.9083   6.8148   4.3633   9.0385   5.6261   10.374   32.464   13.171   35.088   14.154 -2.624111 19.33373 
1 1 1  -38    6   60 f   76.819   8.0285   42.959   8.1997   43.579   10.688   42.071   12.784   78.025   10.108   75.613   12.476 2.412186 16.05699 
1 1 1  -38    6   61 o   79.626   7.9637   44.098   8.1072   31.628   10.326   64.138   13.090   64.764   12.214   94.488   10.223 -29.72347 15.92750 
1 1 1  -38    6   62 o  126.707   6.2711  113.125   10.486  110.463   13.335  117.438   16.974  125.386   7.8479  128.027   9.7836 -2.640350 12.54222 
1 1 1  -38    6   63 o   67.405   10.860   33.048   9.9201   33.048   9.9201   0.0000   0.0000   67.405   10.860  ?   ?       ?      ? 
1 1 1  -38    6   64 o  142.048   6.1942  142.721   11.552  140.379   14.597  146.648   18.896  141.311   7.6225  142.786   9.7657 -1.474579 12.38838 
1 1 1  -38    6   65 o   74.206   10.295   44.989   9.9325   31.908   14.903   55.443   13.323   61.599   17.196   86.814   11.325 -25.21560 20.59035 
1 1 1  -38    6   66 o  162.623   7.4541  195.267   16.177  167.704   23.665  219.446   22.164  150.486   11.604  174.760   9.3590 -24.27373 14.90816 
1 1 1  -38    6   67 o   67.582   11.215   38.338   10.041   33.126   15.726   41.925   13.048   62.002   17.789   73.161   13.663 -11.15875 22.43025 
1 1 1  -38    6   68 o  109.600   8.6801   93.339   12.303   69.205   18.275  113.346   16.639   94.218   14.313  124.981   9.8241 -30.76350 17.36017 
1 1 1  -38    6   69 o   75.630   10.643   46.901   10.504   40.185   16.095   51.884   13.863   68.410   17.339   82.850   12.347 -14.44044 21.28591 
1 1 1  -38    6   70 o  106.731   8.4020   85.046   12.077   91.629   18.337   80.004   16.049  109.966   12.305  103.496   11.443 6.469597 16.80393 
1 1 1  -38    6   71 o  118.104   10.938  103.634   17.506   0.0000   0.0000  103.634   17.506  ?   ?   118.104   10.938      ?      ? 
1 1 1  -38    6   72 o   94.021   11.954   67.061   15.230   0.0000   0.0000   67.061   15.230  ?   ?    94.021   11.954      ?      ? 
1 1 1  -38    6   73 o  156.452   10.389  181.472   22.026   0.0000   0.0000  181.472   22.026  ?   ?   156.452   10.389      ?      ? 
1 1 1  -38    6   74 o   90.423   13.320   64.379   16.322   0.0000   0.0000   64.379   16.322  ?   ?    90.423   13.320      ?      ? 
1 1 1  -38    6   75 f   65.295   16.249   37.291   14.320   0.0000   0.0000   37.291   14.320  ?   ?    65.295   16.249      ?      ? 
1 1 1  -38    7    1 o  241.922   4.6063  399.787   14.976  408.632   22.794  393.069   19.866  244.118   6.8904  239.726   6.1153 4.392059 9.212695 
1 1 1  -38    7    2 f   90.779   5.1349   52.533   6.0692   72.723   10.514   42.443   7.4326  102.881   7.5413   78.676   6.9713 24.20498 10.26984 
1 1 1  -38    7    3 o  269.554   4.7991  498.475   17.430  490.836   25.964  504.742   23.517  267.504   7.1624  271.605   6.3895 -4.100891 9.598175 
1 1 1  -38    7    4 o  124.510   4.7664  107.874   7.7916   98.619   12.372  113.958   10.031  119.830   7.6186  129.190   5.7297 -9.359917 9.532724 
1 1 1  -38    7    5 o  274.607   4.8482  517.407   17.951  506.366   26.594  526.649   24.329  271.750   7.2216  277.463   6.4706 -5.713287 9.696364 
1 1 1  -38    7    6 o  117.418   4.8770   95.492   7.5418   89.544   11.973   99.404   9.7104  114.191   7.7373  120.645   5.9394 -6.453415 9.754089 
1 1 1  -38    7    7 o  153.858   4.5991  160.698   9.4500  168.787   14.822  155.158   12.266  156.991   6.9673  150.725   6.0054 6.265717 9.198213 
1 1 1  -38    7    8 o  173.541   4.6283  207.244   10.756  196.691   16.276  215.426   14.332  169.457   7.0876  177.626   5.9541 -8.169205 9.256657 
1 1 1  -38    7    9 o   41.968   9.1682   12.283   5.8962   8.4023   8.5009   15.882   8.1851   37.115   13.307   46.822   12.616 -9.707027 18.33640 
1 1 1  -38    7   10 o  148.658   5.5001  152.424   10.956  157.433   14.594  145.956   16.584  151.626   7.1027  145.689   8.3998 5.936600 11.00025 
1 1 1  -38    7   11 o  213.173   5.0707  312.599   13.246  314.530   15.717  307.866   24.609  214.803   5.3995  211.543   8.5845 3.260345 10.14146 
1 1 1  -38    7   12 o  206.936   5.0110  291.450   12.750  289.114   15.108  297.230   23.765  205.945   5.4135  207.927   8.4341 -1.982193 10.02199 
1 1 1  -38    7   13 o  162.488   4.9762  179.693   10.027  178.208   11.953  183.217   18.420  161.686   5.4554  163.290   8.3241 -1.603500 9.952490 
1 1 1  -38    7   14 o  148.048   5.2244  155.618   9.4996  164.168   11.445  136.687   17.031  155.193   5.4423  140.903   8.9195 14.28943 10.44874 
1 1 1  -38    7   15 o  219.861   5.5244  329.537   16.459  329.537   16.459   0.0000   0.0000  219.861   5.5244  ?   ?       ?      ? 
1 1 1  -38    7   16 o   85.017   6.8850   49.438   7.9321   49.438   7.9321   0.0000   0.0000   85.017   6.8850  ?   ?       ?      ? 
1 1 1  -38    7   17 o  120.935   5.2910   98.543   8.0005   95.989   9.5587  104.519   14.621  118.607   5.9471  123.263   8.7528 -4.655914 10.58204 
1 1 1  -38    7   18 o   78.102   6.4097   39.816   6.3893   35.940   7.6742   48.571   11.535   72.392   7.8228   83.812   10.156 -11.41962 12.81934 
1 1 1  -38    7   19 o   41.923   9.0357   10.761   5.4280   7.2984   6.5885   18.075   9.5766   33.926   11.752   49.921   13.728 -15.99460 18.07146 
1 1 1  -38    7   20 o   80.051   6.5766   45.056   6.5987   46.657   8.0290   41.725   11.583   82.560   7.1764   77.542   11.023 5.017685 13.15319 
1 1 1  -38    7   21 o  112.274   5.5770   86.156   7.9345   85.587   9.6327   87.358   13.993  111.941   6.3500  112.608   9.1701 -0.6664352 11.15408 
1 1 1  -38    7   22 o   82.385   6.6497   48.950   6.8474   53.249   8.4493   40.722   11.688   88.211   7.0683   76.559   11.266 11.65165 13.29943 
1 1 1  -38    7   23 o  233.903   5.2258  362.479   15.024  346.596   17.656  404.163   28.603  225.415   5.7801  242.392   8.7078 -16.97713 10.45156 
1 1 1  -38    7   24 o  148.101   5.3666  153.428   9.9515  158.866   12.093  142.023   17.515  152.595   5.8481  143.606   9.0000 8.988998 10.73318 
1 1 1  -38    7   25 o  169.269   5.1538  191.551   10.922  184.366   13.030  208.528   20.029  164.382   5.8496  174.156   8.4869 -9.774353 10.30751 
1 1 1  -38    7   26 o  206.776   5.6835  291.084   15.624  281.296   20.078  306.110   24.876  202.641   7.3115  210.911   8.7035 -8.270523 11.36698 
1 1 1  -38    7   27 o  214.624   5.2955  312.671   14.082  308.203   16.753  323.428   25.993  212.528   5.8169  216.720   8.8506 -4.191269 10.59101 
1 1 1  -38    7   28 o  149.069   5.2352  146.231   9.9050  135.957   11.881  169.643   17.935  141.079   6.2147  157.059   8.4267 -15.98012 10.47049 
1 1 1  -38    7   29 o   40.418   9.5578   10.280   6.0320   7.9001   7.6100   14.303   9.8934   35.662   12.611   45.174   14.366 -9.512291 19.11562 
1 1 1  -38    7   30 o  193.438   5.6273  255.727   14.352  251.489   18.230  262.637   23.275  191.632   7.0199  195.244   8.7969 -3.612030 11.25453 
1 1 1  -38    7   31 o  168.534   5.6905  196.635   12.683  202.204   16.386  188.316   20.030  171.811   7.0379  165.257   8.9441 6.554962 11.38106 
1 1 1  -38    7   32 o  110.386   8.0612   83.771   12.059   83.771   12.059   0.0000   0.0000  110.386   8.0612  ?   ?       ?      ? 
1 1 1  -38    7   33 o  274.500   6.0751  514.879   22.598  514.879   22.598   0.0000   0.0000  274.500   6.0751  ?   ?       ?      ? 
1 1 1  -38    7   34 o  133.954   5.1138  122.297   9.2463  131.798   13.848  114.655   12.420  138.586   7.3739  129.322   7.0873 9.264359 10.22755 
1 1 1  -38    7   35 o  287.855   5.1316  568.665   20.000  565.586   28.846  571.516   27.754  287.024   7.4161  288.685   7.0945 -1.660736 10.26312 
1 1 1  -38    7   36 o   87.261   6.2526   52.920   7.3140   49.990   10.999   55.243   9.7932   84.944   9.5549   89.579   8.0674 -4.635307 12.50519 
1 1 1  -38    7   37 o  244.209   4.9628  409.179   16.407  407.862   23.727  410.385   22.711  243.762   7.1829  244.657   6.8501 -0.8954620 9.925621 
1 1 1  -38    7   38 o  118.579   5.4585   96.409   8.7363  100.419   13.049   93.152   11.761  120.745   7.9751  116.413   7.4551 4.331573 10.91698 
1 1 1  -38    7   39 o  154.361   5.0375  163.769   10.504  161.944   15.436  165.342   14.334  153.471   7.4219  155.251   6.8132 -1.779602 10.07496 
1 1 1  -38    7   40 o  236.168   4.9867  383.401   15.935  376.975   23.066  389.268   22.041  234.174   7.2685  238.162   6.8293 -3.987793 9.973495 
1 1 1  -38    7   41 o  108.024   5.6965   80.660   8.2842   79.302   12.384   81.759   11.145  107.080   8.5342  108.967   7.5475 -1.887581 11.39291 
1 1 1  -38    7   42 o  108.175   7.6238   80.645   11.176   0.0000   0.0000   80.645   11.176  ?   ?   108.175   7.6238      ?      ? 
1 1 1  -38    7   43 o  125.652   7.2978  108.714   12.426   0.0000   0.0000  108.714   12.426  ?   ?   125.652   7.2978      ?      ? 
1 1 1  -38    7   44 f  137.887   5.3158  131.748   9.8491  125.637   14.712  136.711   13.258  134.797   8.0542  140.977   6.9399 -6.180191 10.63170 
1 1 1  -38    7   45 o  111.739   5.7368   87.099   8.5814   81.283   12.917   91.694   11.481  108.162   8.8125  115.317   7.3472 -7.155113 11.47354 
1 1 1  -38    7   46 o  150.420   5.2143  156.805   10.563  148.966   15.585  163.465   14.367  146.752   7.8370  154.089   6.8802 -7.337585 10.42858 
1 1 1  -38    7   47 o  135.276   5.3491  126.784   9.7465  123.644   14.497  129.374   13.166  133.582   8.0083  136.970   7.0935 -3.387543 10.69816 
1 1 1  -38    7   48 o  140.607   6.6847  140.275   12.102  145.071   15.112  131.701   20.206  144.755   7.7039  136.459   10.927 8.295517 13.36944 
1 1 1  -38    7   49 o  144.754   5.2724  145.165   10.304  142.817   15.165  147.179   14.044  143.525   7.7972  145.984   7.0992 -2.459000 10.54486 
1 1 1  -38    7   50 o   96.824   6.1559   67.314   7.8261   52.127   11.572   80.116   10.624   86.041   9.9245  107.608   7.2859 -21.56676 12.31178 
1 1 1  -38    7   51 o   57.131   8.6653   24.736   6.5716   18.963   10.033   29.075   8.6971   50.073   14.156   64.189   9.9984 -14.11616 17.33068 
1 1 1  -38    7   52 o  162.436   5.1051  182.320   11.211  189.794   16.543  175.972   15.246  165.426   7.3797  159.446   7.0561 5.980011 10.21020 
1 1 1  -38    7   53 o   87.341   6.4460   53.465   7.5989   55.417   11.340   51.875   10.237   88.670   9.4373   86.012   8.7831 2.657257 12.89206 
1 1 1  -38    7   54 o   67.251   7.8806   33.291   6.8975   29.182   10.232   36.714   9.3385   62.430   12.530   72.072   9.5616 -9.641357 15.76120 
1 1 1  -38    7   55 o  121.466   5.5474  102.707   9.1091  107.145   13.453   98.950   12.378  123.801   8.0190  119.130   7.6675 4.671242 11.09476 
1 1 1  -38    7   56 o  102.152   6.7498   73.496   9.1858   71.188   11.874   76.937   14.496  100.550   8.7142  103.753   10.310 -3.202576 13.49967 
1 1 1  -38    7   57 o  143.700   7.2179  147.878   13.965  146.610   20.885  148.903   18.782  142.686   10.801  144.714   9.5775 -2.028259 14.43580 
1 1 1  -38    7   58 o   81.101   9.4936   49.701   10.036   48.625   15.393   50.497   13.236   79.031   14.920   83.172   11.744 -4.141716 18.98719 
1 1 1  -38    7   59 o   94.392   7.1057   61.838   8.9384   51.705   11.477   77.457   14.250   84.926   9.9727  103.858   10.125 -18.93156 14.21134 
1 1 1  -38    7   60 o  182.292   5.9380  229.122   14.272  211.670   17.937  259.235   23.561  173.720   7.6194  190.864   9.1095 -17.14380 11.87597 
1 1 1  -38    7   61 o  108.152   6.7708   83.991   9.6950   84.735   12.508   82.872   15.344  109.412   8.4360  106.893   10.593 2.519341 13.54164 
1 1 1  -38    7   62 o  161.744   7.2343  188.454   15.816  201.529   23.409  177.471   21.454  166.754   10.359  156.735   10.101 10.01823 14.46861 
1 1 1  -38    7   64 o  156.054   11.496  180.082   24.312  180.082   24.312   0.0000   0.0000  156.054   11.496  ?   ?       ?      ? 
1 1 1  -38    7   65 o   35.606   10.540   4.2771   8.5850   9.2778   12.881   0.2800   11.516   39.524   15.832   31.688   13.919 7.835150 21.08058 
1 1 1  -38    7   66 o   57.892   11.412   28.747   9.4902   22.126   14.728   33.448   12.410   51.328   17.582   64.455   14.553 -13.12680 22.82321 
1 1 1  -38    7   67 o  119.679   8.1113  107.910   12.944   95.848   19.256  117.855   17.484  112.334   12.650  127.024   10.157 -14.68970 16.22267 
1 1 1  -38    7   68 o  110.182   8.3792   91.839   12.342   86.293   18.605   96.197   16.494  106.153   12.933  114.211   10.657 -8.057884 16.75836 
1 1 1  -38    7   69 o   78.558   10.470   48.994   10.627   57.721   16.588   42.920   13.839   84.261   15.081   72.856   14.527 11.40494 20.93959 
1 1 1  -38    7   70 o   60.269   11.538   31.647   9.7609   26.671   14.810   35.468   12.978   54.966   17.587   65.572   14.939 -10.60595 23.07554 
1 1 1  -38    7   71 o   87.268   12.558   58.637   14.851   0.0000   0.0000   58.637   14.851  ?   ?    87.268   12.558      ?      ? 
1 1 1  -38    7   72 o   48.542   16.428   20.263   12.857   0.0000   0.0000   20.263   12.857  ?   ?    48.542   16.428      ?      ? 
1 1 1  -38    7   73 o  131.739   11.008  131.071   19.653   0.0000   0.0000  131.071   19.653  ?   ?   131.739   11.008      ?      ? 
1 1 1  -38    7   74 o   83.962   13.790   56.802   15.690   0.0000   0.0000   56.802   15.690  ?   ?    83.962   13.790      ?      ? 
1 1 1  -38    8    1 o  124.431   4.5179  107.559   7.3047  101.081   11.989  111.383   9.2119  121.185   7.3006  127.677   5.3242 -6.491859 9.035763 
1 1 1  -38    8    2 o  102.826   4.7709   71.614   6.3348   75.777   10.865   69.470   7.7974  104.869   7.6451  100.782   5.7093 4.087395 9.541729 
1 1 1  -38    8    3 o  141.126   5.3103  135.326   10.072  123.913   13.248  150.962   15.506  134.231   7.2828  148.021   7.7302 -13.78958 10.62054 
1 1 1  -38    8    4 o  156.246   4.4670  168.929   9.2335  158.834   14.491  175.830   11.981  152.073   7.0317  160.419   5.5111 -8.346313 8.934020 
1 1 1  -38    8    5 o   81.110   5.4280   44.950   5.6885   46.406   9.6865   44.183   7.0281   81.920   8.7256   80.300   6.4587 1.619522 10.85592 
1 1 1  -38    8    6 o  134.814   4.6099  122.823   8.2459  132.755   13.279  116.590   10.520  139.063   7.0467  130.566   5.9455 8.496735 9.219826 
1 1 1  -38    8    7 o  152.708   4.5556  158.753   9.2766  164.998   14.593  154.518   12.017  155.081   6.9438  150.334   5.8989 4.746445 9.111167 
1 1 1  -38    8    8 o  136.758   4.6346  125.671   8.4617  142.127   13.432  114.843   10.896  143.962   6.8849  129.553   6.2062 14.40848 9.269210 
1 1 1  -38    8    9 o   82.339   6.3120   46.607   7.0188   41.687   9.5734   52.326   10.321   77.633   9.0999   87.044   8.7497 -9.410515 12.62399 
1 1 1  -38    8   10 o  180.256   4.8775  222.180   10.871  221.347   12.948  224.169   20.013  180.115   5.3049  180.397   8.1865 -0.2822723 9.755063 
1 1 1  -38    8   11 o  144.991   5.4574  143.725   10.624  138.935   14.002  150.225   16.310  142.279   7.2621  147.703   8.1484 -5.424332 10.91488 
1 1 1  -38    8   12 o  241.483   5.6124  398.249   17.943  387.922   22.909  414.636   28.859  237.822   7.1084  245.144   8.6871 -7.321487 11.22479 
1 1 1  -38    8   13 o  164.103   4.8588  179.499   9.8926  172.413   11.714  197.116   18.471  158.954   5.4383  169.251   8.0532 -10.29617 9.717502 
1 1 1  -38    8   14 o  113.735   5.2246   89.011   7.3699   89.354   8.8150   88.216   13.433  114.397   5.6862  113.074   8.7665 1.323570 10.44912 
1 1 1  -38    8   15 o   77.480   6.1264   41.932   5.9476   42.862   7.2079   39.945   10.529   79.114   6.7231   75.847   10.243 3.267494 12.25272 
1 1 1  -38    8   16 o   79.430   6.0184   43.363   6.0528   43.157   7.3483   43.797   10.675   79.374   6.8316   79.486   9.9103 -0.1112671 12.03683 
1 1 1  -38    8   17 o   64.651   7.8256   28.727   6.8561   28.727   6.8561   0.0000   0.0000   64.651   7.8256  ?   ?       ?      ? 
1 1 1  -38    8   18 o  106.419   6.1594   77.415   8.8827   77.415   8.8827   0.0000   0.0000  106.419   6.1594  ?   ?       ?      ? 
1 1 1  -38    8   19 o   36.622   8.6355   7.9125   4.9425   5.1026   6.1418   13.076   8.3255   30.342   11.244   42.903   13.110 -12.56054 17.27103 
1 1 1  -38    8   20 o  105.038   5.5087   75.390   7.3649   74.581   8.9703   77.064   12.901  104.426   6.3389  105.649   9.0111 -1.223770 11.01738 
1 1 1  -38    8   21 o   51.790   8.8913   20.083   6.1755   22.925   8.0310   15.971   9.6597   56.501   10.884   47.079   14.063 9.421646 17.78255 
1 1 1  -38    8   22 o   85.806   6.5029   48.013   7.3101   34.738   9.2535   70.050   11.923   70.833   9.6403  100.779   8.7302 -29.94615 13.00582 
1 1 1  -38    8   23 o   82.152   6.5802   45.969   7.2446   42.257   9.4360   51.300   11.307   78.243   8.8994   86.062   9.6951 -7.818977 13.16032 
1 1 1  -38    8   24 o  103.912   6.1097   75.089   8.4431   78.115   11.070   70.882   13.055  106.629   7.6611  101.195   9.5197 5.434708 12.21948 
1 1 1  -38    8   25 o  165.183   5.4668  186.552   11.940  183.146   15.234  191.977   19.224  163.482   6.8766  166.884   8.5004 -3.401276 10.93360 
1 1 1  -38    8   26 o  245.702   5.3861  411.781   16.312  407.562   19.355  422.121   30.301  244.246   5.8478  247.159   9.0468 -2.912491 10.77223 
1 1 1  -38    8   27 o  147.540   5.8232  151.048   11.490  157.831   15.285  142.237   17.421  151.598   7.4405  143.482   8.9599 8.115356 11.64645 
1 1 1  -38    8   28 o  172.546   5.2344  202.819   11.273  200.253   13.494  208.747   20.512  171.197   5.8164  173.896   8.7044 -2.698044 10.46889 
1 1 1  -38    8   29 o   70.951   7.2256   34.886   6.6016   34.622   8.1481   35.391   11.263   70.843   8.4874   71.059   11.696 -0.2165451 14.45123 
1 1 1  -38    8   30 o  137.633   5.4611  130.816   9.4451  131.700   11.424  128.908   16.790  138.764   6.0753  136.502   9.0767 2.262115 10.92222 
1 1 1  -38    8   31 o  152.294   5.2939  156.945   10.177  152.716   12.255  166.342   18.267  149.419   6.0524  155.168   8.6873 -5.749161 10.58774 
1 1 1  -38    8   32 o  140.628   5.5922  138.819   9.8052  143.232   11.868  129.325   17.405  144.693   6.0525  136.563   9.4052 8.129471 11.18440 
1 1 1  -38    8   33 o   88.140   7.5311   53.446   8.9953   53.446   8.9953   0.0000   0.0000   88.140   7.5311  ?   ?       ?      ? 
1 1 1  -38    8   34 o  155.438   5.3173  161.390   10.433  153.395   12.504  179.713   18.930  149.680   6.1646  161.197   8.6657 -11.51707 10.63468 
1 1 1  -38    8   35 o  162.242   5.3529  179.107   10.924  175.575   13.138  187.020   19.664  160.147   6.0536  164.337   8.8299 -4.190491 10.70578 
1 1 1  -38    8   36 o  102.895   6.8913   75.210   9.3923   84.456   12.594   63.624   14.098  110.519   8.4092   95.271   10.920 15.24827 13.78251 
1 1 1  -38    8   37 o  122.904   6.4652  103.184   9.8995  109.291   18.172  100.606   11.805  124.883   10.738  120.924   7.2039 3.958557 12.93043 
1 1 1  -38    8   38 o  139.318   6.3949  137.241   10.964  128.672   19.914  140.969   13.134  135.393   10.854  143.243   6.7661 -7.849518 12.78988 
1 1 1  -38    8   39 o  149.005   5.0824  152.808   10.194  153.469   15.335  152.285   13.646  149.158   7.5867  148.852   6.7650 0.3059387 10.16481 
1 1 1  -38    8   40 o   48.478   9.0797   17.846   6.1721   12.804   9.5652   21.443   8.0791   42.746   14.166   54.210   11.361 -11.46421 18.15935 
1 1 1  -38    8   41 o   65.729   7.7357   30.718   6.6472   31.649   10.302   30.054   8.7006   65.898   11.977   65.561   9.7932 0.3375244 15.47147 
1 1 1  -38    8   42 o   69.081   9.4872   34.319   7.6052   36.169   15.188   33.699   8.7859   68.671   16.522   69.491   9.3299 -0.8203964 18.97441 
1 1 1  -38    8   43 o   66.316   9.6304   29.138   7.4901   41.334   15.178   25.212   8.6117   73.798   15.662   58.834   11.211 14.96431 19.26077 
1 1 1  -38    8   44 o  204.003   4.9708  286.357   13.702  296.538   20.299  277.836   18.571  207.221   7.2286  200.785   6.8251 6.435638 9.941576 
1 1 1  -38    8   45 o   47.966   9.5337   16.577   6.4422   21.545   10.022   13.079   8.4098   53.505   13.748   42.427   13.211 11.07835 19.06735 
1 1 1  -38    8   46 o  111.626   5.6172   86.923   8.4275   82.955   12.573   90.161   11.357  109.104   8.5036  114.148   7.3417 -5.043228 11.23441 
1 1 1  -38    8   47 o   41.533   9.1730   11.130   6.0255   19.432   9.3386   5.2082   7.8869   50.801   13.380   32.265   12.552 18.53611 18.34596 
1 1 1  -38    8   48 o  119.783   6.9722   97.617   10.713   90.560   12.993  112.599   18.931  113.909   8.4174  125.658   11.117 -11.74879 13.94432 
1 1 1  -38    8   49 o   60.252   8.6095   26.848   6.7807   30.445   9.9366   23.714   9.2763   64.221   11.854   56.282   12.489 7.938652 17.21906 
1 1 1  -38    8   50 o   80.031   6.6698   44.913   7.2078   48.199   10.763   42.240   9.7058   82.610   9.6141   77.452   9.2473 5.157562 13.33954 
1 1 1  -38    8   51 o   59.251   8.3414   26.768   6.4750   19.093   9.6157   33.135   8.7584   50.011   13.758   68.491   9.4365 -18.47946 16.68285 
1 1 1  -38    8   52 o   52.677   10.037   21.401   7.2821   21.596   9.6152   21.140   11.152   53.164   13.362   52.190   14.982 0.9739075 20.07483 
1 1 1  -38    8   53 o   94.342   6.9574   62.533   8.8138   57.745   11.560   69.182   13.622   90.256   9.4511   98.427   10.213 -8.170624 13.91480 
1 1 1  -38    8   54 o   80.396   8.3034   48.822   8.4968   56.018   11.320   39.536   12.859   88.838   9.4028   71.954   13.688 16.88393 16.60672 
1 1 1  -38    8   55 o   65.029   9.3407   32.430   7.8949   33.411   10.540   31.175   11.916   66.741   12.100   63.317   14.233 3.423954 18.68146 
1 1 1  -38    8   56 o  125.615   6.4257  111.571   10.774  109.382   14.025  114.724   16.828  124.589   8.3068  126.641   9.8059 -2.051491 12.85143 
1 1 1  -38    8   57 o  158.508   7.1763  182.067   15.252  168.724   22.690  193.065   20.600  152.376   10.988  164.641   9.2331 -12.26460 14.35258 
1 1 1  -38    8   58 o  100.235   7.0248   72.398   9.4212   73.318   12.449   71.164   14.414  101.473   9.0528   98.997   10.744 2.476250 14.04954 
1 1 1  -38    8   59 o   58.036   9.4409   25.115   7.3466   16.987   9.5593   36.844   11.483   46.604   14.005   69.468   12.664 -22.86410 18.88178 
1 1 1  -38    8   60 o   68.929   10.459   37.179   9.3503   41.850   14.732   34.028   12.100   72.065   15.542   65.794   14.001 6.271080 20.91845 
1 1 1  -38    8   61 o   51.848   11.111   22.316   8.7807   15.604   13.498   27.241   11.561   45.457   16.699   58.239   14.660 -12.78161 22.22115 
1 1 1  -38    8   62 o   29.170   9.4074  -5.6920   8.2466   0.9196   12.528 -10.7476   10.955   33.271   14.569   25.070   11.906 8.200689 18.81480 
1 1 1  -38    8   63 o   69.111   16.389   39.754   15.117   39.754   15.117   0.0000   0.0000   69.111   16.389  ?   ?       ?      ? 
1 1 1  -38    8   64 o  105.501   8.3645   82.136   11.861   92.260   18.253   74.735   15.605  110.773   12.159  100.230   11.489 10.54247 16.72894 
1 1 1  -38    8   65 o  108.588   8.3345   89.134   12.099   81.064   18.008   95.775   16.335  103.040   12.897  114.136   10.561 -11.09596 16.66901 
1 1 1  -38    8   66 o   80.990   10.235   53.229   10.728   43.355   15.855   61.568   14.570   71.539   16.664   90.442   11.888 -18.90269 20.47000 
1 1 1  -38    8   67 o   46.396   11.275   15.276   9.1717   28.329   14.016   5.5011   12.129   57.199   16.906   35.594   14.924 21.60461 22.55091 
1 1 1  -38    8   68 o   48.296   11.386   19.177   9.4403   9.1608   13.848   27.873   12.903   39.441   16.186   57.151   16.018 -17.70963 22.77206 
1 1 1  -38    8   69 o   64.027   16.395   35.386   14.287   0.0000   0.0000   35.386   14.287  ?   ?    64.027   16.395      ?      ? 
1 1 1  -38    8   70 o   54.964   17.759   27.404   15.074   0.0000   0.0000   27.404   15.074  ?   ?    54.964   17.759      ?      ? 
1 1 1  -38    8   73 o   45.390   16.932   17.991   13.974   0.0000   0.0000   17.991   13.974  ?   ?    45.390   16.932      ?      ? 
1 1 1  -38    8   74 o   58.328   17.703   32.577   15.218   0.0000   0.0000   32.577   15.218  ?   ?    58.328   17.703      ?      ? 
1 1 1  -38    9    1 o   63.498   7.3160   23.772   4.3925   36.838   12.233   21.838   4.7064   70.601   13.273   56.395   6.1584 14.20637 14.63207 
1 1 1  -38    9    2 o  108.691   6.8167   88.249   9.0641   67.632   15.578   98.802   11.145   97.598   11.778  119.785   6.8659 -22.18711 13.63346 
1 1 1  -38    9    3 o  102.498   5.8598   66.492   6.6179   84.256   15.220   62.351   7.3489  109.588   10.249   95.409   5.6840 14.17887 11.71957 
1 1 1  -38    9    4 o   94.826   6.6274   65.100   6.6096   58.735   14.854   66.672   7.3806   90.951   12.052   98.701   5.5181 -7.750679 13.25482 
1 1 1  -38    9    5 o   77.166   8.4146   44.974   7.8404   36.342   13.306   49.565   9.7041   69.778   14.543   84.554   8.4692 -14.77631 16.82929 
1 1 1  -38    9    6 o   76.784   7.8489   40.319   7.9616   46.865   13.122   36.505   10.016   81.358   11.902   72.210   10.235 9.148178 15.69785 
1 1 1  -38    9    7 o   91.154   6.6200   56.641   6.7940   60.031   14.555   55.697   7.6822   92.197   11.650   90.111   6.2911 2.086067 13.24009 
1 1 1  -38    9    8 o   40.843   9.3034   10.181   4.8588   14.829   11.286   9.1230   5.3832   45.955   15.393   35.732   10.453 10.22293 18.60683 
1 1 1  -38    9    9 o   70.397   6.1399   34.808   5.6880   36.552   7.3406   32.187   8.9982   72.843   7.4364   67.950   9.7720 4.892448 12.27972 
1 1 1  -38    9   10 o   95.242   5.8861   66.527   7.1220   79.854   9.2918   47.546   11.089  107.914   6.3539   82.570   9.9102 25.34409 11.77215 
1 1 1  -38    9   11 o   86.611   5.8450   55.460   6.2300   62.574   7.7060   42.038   10.585   95.603   5.9481   77.619   10.064 17.98376 11.68990 
1 1 1  -38    9   12 o   68.466   6.4099   33.212   5.4805   34.428   6.6542   30.646   9.6634   70.789   6.9366   66.144   10.781 4.644806 12.81975 
1 1 1  -38    9   13 o   90.574   6.3524   56.413   7.7639   50.468   10.472   63.670   11.569   85.301   9.0595   95.848   8.9071 -10.54659 12.70474 
1 1 1  -38    9   14 o   98.014   5.5861   67.514   6.8265   69.658   8.2630   62.904   12.116  100.868   6.0451   95.159   9.3954 5.708275 11.17217 
1 1 1  -38    9   15 o  120.056   5.2561  101.412   7.8800  105.282   9.5658   93.242   13.899  124.084   5.6889  116.029   8.8399 8.055473 10.51226 
1 1 1  -38    9   16 o  174.081   4.9608  205.777   10.731  202.214   12.787  214.264   19.733  172.025   5.4852  176.136   8.2674 -4.110596 9.921545 
1 1 1  -38    9   17 o  143.182   4.9740  138.097   8.9521  133.679   10.729  148.221   16.242  139.832   5.6618  146.531   8.1797 -6.699356 9.948081 
1 1 1  -38    9   18 o  125.472   5.7984  107.678   9.8591  107.678   9.8591   0.0000   0.0000  125.472   5.7984  ?   ?       ?      ? 
1 1 1  -38    9   19 o   60.053   8.5145   24.933   6.9291   24.933   6.9291   0.0000   0.0000   60.053   8.5145  ?   ?       ?      ? 
1 1 1  -38    9   20 o  126.684   5.3285  110.329   8.4964  110.081   10.267  110.867   15.133  126.828   5.9739  126.540   8.8252 0.2877350 10.65700 
1 1 1  -38    9   21 o  151.608   5.0249  151.993   9.5820  142.717   11.422  174.028   17.604  144.441   5.8355  158.775   8.1820 -14.33372 10.04974 
1 1 1  -38    9   22 o  181.775   5.0387  219.721   11.413  209.052   13.535  245.970   21.230  174.848   5.7122  188.703   8.3020 -13.85533 10.07738 
1 1 1  -38    9   23 o  112.652   5.4867   85.796   7.8620   82.772   9.5169   92.294   13.952  109.891   6.3907  115.414   8.9204 -5.523376 10.97334 
1 1 1  -38    9   24 o   99.270   5.5927   64.531   7.1689   57.476   8.7077   79.374   12.630   91.458   7.0258  107.081   8.7035 -15.62209 11.18539 
1 1 1  -38    9   25 o  106.439   5.5413   75.798   7.5978   71.025   9.2663   85.591   13.272  101.723   6.7221  111.156   8.8112 -9.432991 11.08260 
1 1 1  -38    9   26 o   74.019   6.6174   36.761   6.3556   33.810   7.7970   42.603   10.972   69.954   8.2249   78.083   10.369 -8.128975 13.23485 
1 1 1  -38    9   27 o   87.463   7.0599   53.345   8.3474   53.243   11.414   53.463   12.239   87.460   9.6306   87.467   10.326 -0.6843567E-02 14.11978 
1 1 1  -38    9   28 o   93.342   6.8127   60.685   8.5903   60.916   11.711   60.416   12.639   93.637   9.2293   93.046   10.024 0.5915985 13.62540 
1 1 1  -38    9   29 o   68.493   8.1527   33.722   7.3294   35.570   9.9398   31.520   10.851   71.324   10.284   65.661   12.653 5.663231 16.30537 
1 1 1  -38    9   30 o   46.420   9.8233   15.602   7.0516   21.835   9.6449   8.4436   10.336   54.302   13.229   38.538   14.525 15.76361 19.64656 
1 1 1  -38    9   31 o   81.299   7.3361   45.838   8.0085   37.978   10.813   55.388   11.919   73.529   10.852   89.069   9.8748 -15.54023 14.67227 
1 1 1  -38    9   32 o   62.767   9.1349   29.170   7.6368   37.372   10.704   20.668   10.899   72.921   10.832   52.613   14.712 20.30779 18.26974 
1 1 1  -38    9   33 o   76.006   8.5996   40.079   8.8574   40.079   8.8574   0.0000   0.0000   76.006   8.5996  ?   ?       ?      ? 
1 1 1  -38    9   34 o   98.650   7.2018   67.069   9.6276   67.069   9.6276   0.0000   0.0000   98.650   7.2018  ?   ?       ?      ? 
1 1 1  -38    9   35 o   95.277   6.3010   61.225   7.7788   56.916   9.5422   69.761   13.431   90.734   7.7606   99.821   9.9288 -9.086876 12.60194 
1 1 1  -38    9   36 o  101.327   6.2337   71.210   8.0741   70.757   9.8923   72.113   13.975  101.286   7.2072  101.369   10.173 -0.8298492E-01 12.46747 
1 1 1  -38    9   37 o   61.051   8.8651   26.865   6.7650   25.573   8.2762   29.465   11.743   59.449   10.665   62.654   14.164 -3.205456 17.73021 
1 1 1  -38    9   38 o  107.960   6.0759   77.886   8.3768   72.034   10.105   90.745   14.979  102.125   7.3013  113.795   9.7137 -11.66972 12.15179 
1 1 1  -38    9   39 o  129.067   5.6411  113.138   9.3041  108.517   11.303  122.848   16.385  125.524   6.6450  132.611   9.1176 -7.086678 11.28214 
1 1 1  -38    9   40 o   43.549   9.3685   14.060   6.0661   11.400   9.4285   15.938   7.9238   40.763   14.062   46.335   12.383 -5.572140 18.73691 
1 1 1  -38    9   41 o   93.339   5.9789   60.976   7.4750   58.653   11.337   62.763   9.9424   91.543   9.1385   95.134   7.7121 -3.590958 11.95782 
1 1 1  -38    9   42 o   84.268   7.8770   46.841   8.2274   60.107   15.811   41.915   9.6344   91.201   12.793   77.335   9.1932 13.86652 15.75395 
1 1 1  -38    9   43 o  177.870   6.1915  216.139   13.616  234.010   25.434  208.960   16.121  181.824   10.322  173.915   6.8401 7.908600 12.38296 
1 1 1  -38    9   44 o   45.640   9.4727   15.556   6.2025   15.559   9.4954   15.553   8.1916   45.676   14.008   45.604   12.756 0.7151031E-01 18.94547 
1 1 1  -38    9   45 o  117.605   5.4521   96.991   8.6075   88.252   12.677  104.465   11.724  112.398   8.3231  122.812   7.0447 -10.41367 10.90421 
1 1 1  -38    9   46 o   80.895   6.6149   45.570   7.2069   52.162   10.917   40.479   9.5946   86.012   9.3664   75.778   9.3434 10.23422 13.22984 
1 1 1  -38    9   47 o   76.136   6.9032   41.937   6.9518   34.682   10.349   47.904   9.3845   69.565   10.978   82.706   8.3732 -13.14084 13.80641 
1 1 1  -38    9   48 o  128.356   7.8375  115.033   13.633  115.033   13.633   0.0000   0.0000  128.356   7.8375  ?   ?       ?      ? 
1 1 1  -38    9   49 o  111.361   6.7574   88.775   9.8742   91.568   12.631   84.388   15.834  114.313   8.1540  108.409   10.778 5.903786 13.51472 
1 1 1  -38    9   50 o   77.123   8.0138   43.017   8.2528   42.827   10.801   43.284   12.792   77.346   10.305   76.900   12.276 0.4457169 16.02761 
1 1 1  -38    9   51 o   67.808   8.9488   33.944   7.8202   30.016   10.112   39.789   12.336   63.132   12.261   72.484   13.038 -9.352329 17.89765 
1 1 1  -38    9   52 o   92.835   7.3637   62.974   9.0168   67.409   11.790   56.726   13.994   97.556   8.9186   88.114   11.720 9.441452 14.72731 
1 1 1  -38    9   53 o  118.646   6.3845   98.062   10.060   90.928   12.824  109.479   16.223  113.545   8.3345  123.748   9.6739 -10.20385 12.76906 
1 1 1  -38    9   54 o  121.498   7.5975  106.482   12.374  110.886   19.076  103.282   16.259  123.130   11.433  119.867   10.009 3.262810 15.19508 
1 1 1  -38    9   55 o   88.506   7.2582   55.557   8.6111   49.822   11.215   63.795   13.441   83.210   9.9458   93.802   10.574 -10.59239 14.51634 
1 1 1  -38    9   56 o   83.958   7.8104   52.559   8.6467   58.543   11.502   44.783   13.112   90.419   9.3871   77.496   12.486 12.92259 15.62071 
1 1 1  -38    9   57 o   83.594   11.600   51.576   13.141   0.0000   0.0000   51.576   13.141  ?   ?    83.594   11.600      ?      ? 
1 1 1  -38    9   58 o  117.064   7.9503  100.524   12.430  102.871   19.323   98.868   16.236  117.455   12.140  116.673   10.269 0.7826385 15.90058 
1 1 1  -38    9   59 o  137.463   7.6709  140.397   14.043  123.092   20.894  154.656   18.966  128.458   12.003  146.468   9.5554 -18.01076 15.34179 
1 1 1  -38    9   60 o   67.542   10.758   38.111   9.8424   27.910   15.024   45.781   13.027   57.033   17.642   78.050   12.317 -21.01657 21.51586 
1 1 1  -38    9   61 o   84.675   9.3006   54.512   10.551   56.658   16.264   52.953   13.865   85.431   14.049   83.918   12.192 1.512840 18.60116 
1 1 1  -38    9   62 o   47.152   16.647   17.970   13.255   17.970   13.255   0.0000   0.0000   47.152   16.647  ?   ?       ?      ? 
1 1 1  -38    9   63 o   50.270   11.802   21.273   9.4597   18.522   13.822   23.698   12.974   47.609   16.978   52.931   16.398 -5.321789 23.60395 
1 1 1  -38    9   64 f   37.743   10.589   8.1437   8.4580   1.0733   12.820   13.594   11.255   33.306   14.657   42.180   15.286 -8.873940 21.17778 
1 1 1  -38    9   65 o   91.211   9.4488   65.742   11.189   58.183   16.615   72.015   15.135   84.444   15.072   97.977   11.399 -13.53305 18.89753 
1 1 1  -38    9   66 o   73.305   10.943   45.137   10.478   41.650   15.686   47.947   14.079   69.347   16.856   77.263   13.961 -7.915146 21.88670 
1 1 1  -38    9   67 f  122.255   8.2805  114.817   13.496   97.789   19.632  130.075   18.584  112.115   12.922  132.395   10.358 -20.27941 16.56109 
1 1 1  -38    9   68 o   39.037   10.895   9.1501   8.9858   1.1399   12.728   17.110   12.688   32.802   14.511   45.271   16.254 -12.46833 21.78911 
1 1 1  -38    9   69 o   69.995   10.921   43.249   10.774   23.502   15.416   62.101   15.062   50.711   17.947   89.280   12.450 -38.56961 21.84229 
1 1 1  -38    9   70 o   86.348   13.534   59.898   15.837   0.0000   0.0000   59.898   15.837  ?   ?    86.348   13.534      ?      ? 
1 1 1  -38    9   71 o   51.120   17.315   24.370   14.283   0.0000   0.0000   24.370   14.283  ?   ?    51.120   17.315      ?      ? 
1 1 1  -38    9   72 o   29.833   13.703  -2.9527   12.653   0.0000   0.0000  -2.9527   12.653  ?   ?    29.833   13.703      ?      ? 
1 1 1  -38    9   73 o   26.804   12.742  -9.2101   12.608   0.0000   0.0000  -9.2101   12.608  ?   ?    26.804   12.742      ?      ? 
1 1 1  -38    9   74 o   46.322   17.339   20.726   14.679   0.0000   0.0000   20.726   14.679  ?   ?    46.322   17.339      ?      ? 
1 1 1  -38   10    1 o   80.780   8.6833   45.633   9.5054   45.633   9.5054   0.0000   0.0000   80.780   8.6833  ?   ?       ?      ? 
1 1 1  -38   10    2 f  164.966   4.3202  186.494   9.2942  190.060   15.456  184.475   11.633  165.859   6.8764  164.072   5.2319 1.787643 8.640441 
1 1 1  -38   10    3 o  108.803   4.7163   85.907   6.3119   70.745   11.048   93.255   7.6908  100.849   8.0838  116.757   4.8608 -15.90804 9.432650 
1 1 1  -38   10    4 o  165.657   5.1001  189.703   11.425  188.361   15.635  191.241   16.736  165.133   6.9867  166.182   7.4318 -1.048965 10.20029 
1 1 1  -38   10    5 o   87.483   5.0399   51.866   5.5283   55.605   10.067   50.251   6.6150   89.391   8.3106   85.576   5.7042 3.815018 10.07988 
1 1 1  -38   10    6 o  192.394   4.5511  258.723   11.583  234.014   17.945  276.368   15.165  184.021   7.1960  200.766   5.5738 -16.74545 9.102160 
1 1 1  -38   10    7 o  148.543   5.5271  152.331   10.986  149.095   14.374  156.876   17.035  146.900   7.2208  150.187   8.3700 -3.287247 11.05425 
1 1 1  -38   10    8 o  208.475   4.8395  294.311   12.513  286.676   14.862  312.901   23.191  204.603   5.3604  212.347   8.0591 -7.743881 9.678988 
1 1 1  -38   10    9 o  113.292   4.8208   89.357   6.9760   91.297   8.5994   85.623   11.930  115.441   5.4970  111.143   7.9210 4.298241 9.641522 
1 1 1  -38   10   10 o  236.926   5.0028  382.239   14.682  375.039   17.451  399.678   27.161  233.989   5.5037  239.862   8.3560 -5.873199 10.00568 
1 1 1  -38   10   11 o  163.868   4.7763  185.690   9.8873  187.113   12.017  182.706   17.397  165.331   5.3635  162.406   7.9047 2.924652 9.552587 
1 1 1  -38   10   12 o  110.808   4.9101   83.218   7.0435   80.045   8.6814   89.329   12.049  108.020   5.9306  113.595   7.8271 -5.575241 9.820225 
1 1 1  -38   10   13 o  102.500   5.5619   77.262   7.1409   88.234   8.9976   58.591   11.738  113.435   5.8532   91.565   9.4594 21.87041 11.12386 
1 1 1  -38   10   14 o  142.537   5.4879  140.712   10.563  142.712   14.413  138.392   15.526  143.766   7.3978  141.308   8.1079 2.458084 10.97570 
1 1 1  -38   10   15 o  117.167   5.1265   95.426   7.7156   97.057   9.5549   92.370   13.080  118.964   5.9269  115.370   8.3662 3.593338 10.25291 
1 1 1  -38   10   16 o   85.674   6.1230   51.292   7.0192   52.965   9.3181   49.098   10.672   87.488   7.8595   83.861   9.3911 3.627403 12.24604 
1 1 1  -38   10   17 o   81.029   6.4494   44.702   6.9134   32.879   9.1187   60.685   10.602   68.536   9.8181   93.521   8.3658 -24.98503 12.89889 
1 1 1  -38   10   18 o   86.214   6.4492   52.472   7.3935   56.192   9.7982   47.552   11.267   90.079   8.0267   82.349   10.096 7.730217 12.89835 
1 1 1  -38   10   19 o   39.925   12.766   11.297   7.8045   11.297   7.8045   0.0000   0.0000   39.925   12.766  ?   ?       ?      ? 
1 1 1  -38   10   20 o   83.508   6.6822   48.629   7.4653   48.278   9.7976   49.114   11.527   83.344   8.6749   83.671   10.166 -0.3273163 13.36442 
1 1 1  -38   10   21 o   89.638   6.4821   56.371   7.7478   58.268   10.202   53.787   11.908   91.679   8.2121   87.598   10.032 4.081726 12.96425 
1 1 1  -38   10   22 o   84.130   6.7114   49.089   7.6235   44.983   10.274   54.119   11.372   80.255   9.4470   88.004   9.5354 -7.748970 13.42273 
1 1 1  -38   10   23 o  123.098   5.3672  103.150   8.4603  100.027   10.322  109.543   14.769  120.673   6.3118  125.523   8.6826 -4.850166 10.73434 
1 1 1  -38   10   24 o  146.845   5.1820  146.348   9.6541  141.905   11.671  155.973   17.179  143.823   5.9884  149.867   8.4588 -6.044113 10.36398 
1 1 1  -38   10   25 o  106.014   5.8417   81.222   7.8051   88.358   9.7028   68.139   13.138  113.405   6.3137   98.624   9.8306 14.78072 11.68345 
1 1 1  -38   10   26 o  105.505   5.5047   73.437   7.5813   64.580   9.3304   90.646   13.006   96.764   7.1155  114.246   8.4009 -17.48115 11.00931 
1 1 1  -38   10   27 o  159.260   5.2926  175.724   10.691  176.540   13.032  174.043   18.693  160.388   5.9960  158.133   8.7233 2.255157 10.58526 
1 1 1  -38   10   28 o  237.817   5.8874  393.090   18.607  394.246   24.108  391.388   29.264  238.831   7.4487  236.804   9.1193 2.026871 11.77477 
1 1 1  -38   10   29 o  107.326   6.0695   82.518   8.3123   88.203   10.390   72.411   13.854  113.146   6.7766  101.507   10.072 11.63916 12.13909 
1 1 1  -38   10   30 o  207.443   5.2393  289.510   13.614  277.159   16.237  318.751   24.983  200.925   5.9632  213.961   8.6163 -13.03574 10.47860 
1 1 1  -38   10   31 o  142.923   5.3595  138.728   9.8222  133.359   11.979  149.744   17.159  139.237   6.3486  146.610   8.6367 -7.373291 10.71905 
1 1 1  -38   10   32 o  199.604   5.4256  281.606   13.497  291.106   16.346  261.252   23.926  205.923   5.8577  193.286   9.1344 12.63713 10.85129 
1 1 1  -38   10   33 o   91.596   7.4816   58.092   9.2866   58.092   9.2866   0.0000   0.0000   91.596   7.4816  ?   ?       ?      ? 
1 1 1  -38   10   34 o  179.492   5.9709  221.400   14.523  221.400   14.523   0.0000   0.0000  179.492   5.9709  ?   ?       ?      ? 
1 1 1  -38   10   35 o  109.213   6.3001   88.615   8.5360   99.730   10.622   68.351   14.342  120.286   6.5165   98.141   10.784 22.14450 12.60011 
1 1 1  -38   10   36 o  177.282   5.2832  208.218   11.774  193.304   14.007  244.142   21.739  167.585   6.1676  186.980   8.5795 -19.39485 10.56632 
1 1 1  -38   10   37 f   74.783   7.2955   39.738   7.0439   40.065   8.7646   39.141   11.837   75.730   8.5404   73.837   11.830 1.893013 14.59094 
1 1 1  -38   10   38 o   47.990   9.5852   17.641   6.4337   19.039   8.0341   15.142   10.742   50.530   11.925   45.450   15.010 5.079945 19.17041 
1 1 1  -38   10   39 o   93.140   6.5247   60.574   7.8264   59.593   9.6457   62.465   13.390   92.566   7.6895   93.715   10.543 -1.148537 13.04950 
1 1 1  -38   10   40 o  113.547   5.8679   85.236   8.5962   75.276   10.425  106.400   15.196  104.106   7.3892  122.988   9.1176 -18.88173 11.73587 
1 1 1  -38   10   41 o   99.943   6.2994   70.115   8.0544   69.925   9.8912   70.489   13.876  100.343   7.2742   99.543   10.287 0.8001633 12.59880 
1 1 1  -38   10   42 o   54.981   9.8720   23.119   7.5636   16.076   10.524   30.644   10.878   46.240   14.829   63.723   13.036 -17.48335 19.74406 
1 1 1  -38   10   43 o  123.746   7.4724  107.715   12.351  120.336   19.533   99.308   15.942  129.316   11.147  118.176   9.9550 11.14052 14.94487 
1 1 1  -38   10   44 o  131.405   6.2490  122.326   10.878  124.968   14.090  118.426   17.116  133.745   7.7739  129.065   9.7862 4.680130 12.49807 
1 1 1  -38   10   45 o   86.675   7.3822   53.141   8.5457   49.897   11.053   57.961   13.474   83.736   9.7410   89.614   11.095 -5.878014 14.76437 
1 1 1  -38   10   46 o  149.308   5.9286  153.127   11.718  140.519   14.821  174.154   19.140  141.726   7.7168  156.890   9.0025 -15.16394 11.85721 
1 1 1  -38   10   47 o   58.618   9.9674   27.205   7.8097   29.989   10.284   23.413   12.003   62.945   12.497   54.291   15.531 8.654182 19.93477 
1 1 1  -38   10   48 o   74.981   10.485   40.514   10.654   40.514   10.654   0.0000   0.0000   74.981   10.485  ?   ?       ?      ? 
1 1 1  -38   10   49 o  100.962   6.8969   72.404   9.2681   70.003   11.955   76.022   14.673   99.343   8.8804  102.582   10.555 -3.239685 13.79379 
1 1 1  -38   10   50 o  122.930   6.2280  103.280   10.168   87.458   12.913  129.100   16.496  111.144   8.5734  134.715   9.0359 -23.57157 12.45599 
1 1 1  -38   10   51 o   99.029   6.8609   68.113   9.0571   55.857   11.686   86.548   14.333   88.188   9.7786  109.870   9.6264 -21.68157 13.72183 
1 1 1  -38   10   52 o   67.468   9.0378   35.636   7.9046   42.391   10.636   27.302   11.814   76.549   10.253   58.386   14.886 18.16265 18.07559 
1 1 1  -38   10   53 o   48.411   10.025   18.881   8.2953   2.2982   13.230   29.622   10.648   35.035   15.160   61.788   13.123 -26.75233 20.05066 
1 1 1  -38   10   54 o   67.243   10.196   37.915   9.1477   24.037   14.181   47.805   11.971   53.697   17.212   80.789   10.935 -27.09190 20.39201 
1 1 1  -38   10   55 o   37.032   10.225   5.0324   7.8349   16.553   12.336  -2.7578   10.144   46.002   16.072   28.062   12.645 17.94039 20.45018 
1 1 1  -38   10   56 o   91.116   11.010   61.101   13.595   0.0000   0.0000   61.101   13.595  ?   ?    91.116   11.010      ?      ? 
1 1 1  -38   10   57 o   61.052   14.611   30.099   11.927   0.0000   0.0000   30.099   11.927  ?   ?    61.052   14.611      ?      ? 
1 1 1  -38   10   58 o   36.498   10.566   6.7269   8.1979   7.2423   12.901   6.3778   10.617   37.793   15.580   35.203   14.277 2.590309 21.13211 
1 1 1  -38   10   59 f   79.869   10.147   53.246   10.262   33.117   15.137   70.366   13.960   61.889   17.350   97.849   10.528 -35.96013 20.29416 
1 1 1  -38   10   60 o  110.329   8.3224   92.940   12.157   78.279   18.044  105.128   16.452  100.819   13.207  119.838   10.131 -19.01936 16.64486 
1 1 1  -38   10   61 o   47.180   11.398   18.114   9.2140   10.472   13.621   24.562   12.511   40.469   16.256   53.891   15.983 -13.42255 22.79697 
1 1 1  -38   10   62 o   64.609   16.422   35.714   14.409   35.714   14.409   0.0000   0.0000   64.609   16.422  ?   ?       ?      ? 
1 1 1  -38   10   63 o   62.347   11.254   34.086   9.8893   23.750   14.654   42.730   13.401   51.973   17.539   72.721   14.108 -20.74751 22.50863 
1 1 1  -38   10   64 f  112.598   8.5273   98.481   12.699   80.518   18.569  114.265   17.406  101.092   13.555  124.105   10.350 -23.01330 17.05452 
1 1 1  -38   10   65 o   64.056   10.813   35.557   9.9356   21.651   14.385   48.244   13.739   49.541   17.353   78.570   12.904 -29.02896 21.62539 
1 1 1  -38   10   66 o   35.572   10.236   1.6596   8.7604   17.807   13.055 -11.5667   11.815   45.746   16.481   25.397   12.146 20.34979 20.47273 
1 1 1  -38   10   67 o   32.405   10.113   1.5980   8.7073  -0.1176   12.764   3.0912   11.908   31.832   14.277   32.978   14.326 -1.146332 20.22560 
1 1 1  -38   10   68 o   52.238   11.697   24.890   9.4857   19.643   13.612   29.844   13.226   46.884   16.835   57.592   16.243 -10.70805 23.39355 
1 1 1  -38   10   69 o   61.357   16.589   34.478   14.124   0.0000   0.0000   34.478   14.124  ?   ?    61.357   16.589      ?      ? 
1 1 1  -38   10   70 o   26.122   12.479 -10.4842   12.406   0.0000   0.0000 -10.4842   12.406  ?   ?    26.122   12.479      ?      ? 
1 1 1  -38   10   71 o   57.438   17.613   32.527   15.012   0.0000   0.0000   32.527   15.012  ?   ?    57.438   17.613      ?      ? 
1 1 1  -38   10   72 o   55.010   17.441   30.296   14.591   0.0000   0.0000   30.296   14.591  ?   ?    55.010   17.441      ?      ? 
1 1 1  -38   10   73 o   45.151   17.101   20.194   14.370   0.0000   0.0000   20.194   14.370  ?   ?    45.151   17.101      ?      ? 
1 1 1  -38   11    1 o   74.553   8.9628   39.219   9.0551   39.219   9.0551   0.0000   0.0000   74.553   8.9628  ?   ?       ?      ? 
1 1 1  -38   11    2 o   39.102   12.890   11.019   7.9227   11.019   7.9227   0.0000   0.0000   39.102   12.890  ?   ?       ?      ? 
1 1 1  -38   11    3 o  105.602   7.7386   77.797   11.074   77.797   11.074   0.0000   0.0000  105.602   7.7386  ?   ?       ?      ? 
1 1 1  -38   11    4 o   29.464   12.083   2.9052   7.7091   2.9052   7.7091   0.0000   0.0000   29.464   12.083  ?   ?       ?      ? 
1 1 1  -38   11    5 o   96.790   8.0172   65.419   10.516   65.419   10.516   0.0000   0.0000   96.790   8.0172  ?   ?       ?      ? 
1 1 1  -38   11    6 o   41.527   13.108   12.666   8.2489   12.666   8.2489   0.0000   0.0000   41.527   13.108  ?   ?       ?      ? 
1 1 1  -38   11    7 o   52.357   12.317   20.582   8.5931   20.582   8.5931   0.0000   0.0000   52.357   12.317  ?   ?       ?      ? 
1 1 1  -38   11    8 o   58.816   6.4018   26.964   4.5227   34.001   5.8698   16.683   7.0952   70.234   6.1673   47.399   11.220 22.83496 12.80355 
1 1 1  -38   11    9 o   57.186   7.1429   22.665   5.5353   22.665   5.5353   0.0000   0.0000   57.186   7.1429  ?   ?       ?      ? 
1 1 1  -38   11   10 o  114.698   4.6934   90.808   6.9536   90.651   8.6222   91.101   11.761  114.890   5.5380  114.506   7.5792 0.3833847 9.386879 
1 1 1  -38   11   11 o  119.720   4.6553   96.807   7.2382   91.763   8.9317  106.459   12.354  115.554   5.7039  123.886   7.3590 -8.332245 9.310679 
1 1 1  -38   11   12 f   95.442   5.1206   64.206   6.3266   67.157   7.9723   59.186   10.398   98.800   5.9545   92.085   8.3322 6.714554 10.24122 
1 1 1  -38   11   13 o   60.752   6.0487   25.277   4.9280   22.086   6.4375   29.794   7.6592   56.237   8.4473   65.267   8.6597 -9.030460 12.09741 
1 1 1  -38   11   14 f   82.682   5.3250   47.044   5.8084   45.735   7.3694   49.189   9.4378   81.386   6.6819   83.979   8.2931 -2.593460 10.65007 
1 1 1  -38   11   15 o   33.861   8.6027   7.0602   5.2402   2.8313   8.0411   10.182   6.9086   29.992   12.325   37.729   12.005 -7.736586 17.20544 
1 1 1  -38   11   16 o   90.093   5.5507   57.418   6.4886   60.261   8.2100   52.689   10.590   93.480   6.4810   86.706   9.0132 6.773674 11.10139 
1 1 1  -38   11   17 o  117.416   5.2542   97.713   7.9131  102.923   9.8922   88.454   13.187  122.334   5.9671  112.497   8.6499 9.836632 10.50840 
1 1 1  -38   11   18 o   42.526   8.2916   13.850   5.1977   18.160   6.7618   7.6249   8.1260   49.825   10.353   35.227   12.955 14.59756 16.58325 
1 1 1  -38   11   19 o   82.413   6.0126   48.491   6.3701   51.260   7.9959   43.681   10.539   86.134   6.8504   78.693   9.8832 7.440872 12.02518 
1 1 1  -38   11   20 o   39.400   12.084   11.280   7.0657   11.280   7.0657   0.0000   0.0000   39.400   12.084  ?   ?       ?      ? 
1 1 1  -38   11   21 o  131.191   5.1159  117.365   8.7016  113.100   10.750  125.468   14.819  128.167   6.1895  134.215   8.1475 -6.047134 10.23188 
1 1 1  -38   11   22 o   86.687   5.8675   51.317   6.7037   47.999   8.4324   57.015   11.051   83.188   7.4801   90.186   9.0421 -6.997528 11.73505 
1 1 1  -38   11   23 o   37.062   7.6389   7.9505   5.5368   19.132   7.2057  -8.1678   8.6514   51.034   10.758   23.089   10.848 27.94479 15.27783 
1 1 1  -38   11   24 o   81.638   6.3652   48.020   6.7067   51.825   8.5196   41.819   10.875   86.486   7.2693   76.791   10.451 9.694939 12.73034 
1 1 1  -38   11   25 f   60.065   7.8916   26.215   6.0697   26.374   7.6785   25.949   9.9101   61.273   9.2475   58.858   12.790 2.414909 15.78312 
1 1 1  -38   11   26 o   95.338   5.9373   63.421   7.3294   63.307   9.1187   63.628   12.320   95.639   7.0359   95.037   9.5658 0.6019211 11.87469 
1 1 1  -38   11   27 o  112.180   5.4920   84.647   7.9502   78.615   9.7037   96.964   13.866  106.667   6.7131  117.694   8.6937 -11.02692 10.98391 
1 1 1  -38   11   28 o  107.185   6.3575   80.564   9.2047   79.812   12.505   81.454   13.598  106.780   8.6420  107.589   9.3267 -0.8095093 12.71505 
1 1 1  -38   11   29 o   60.468   8.0556   27.178   6.2057   28.804   7.8732   24.512   10.084   64.029   9.0738   56.906   13.313 7.123123 16.11123 
1 1 1  -38   11   30 o   46.477   9.0287   15.285   5.8157   11.466   7.3907   21.494   9.4244   39.671   12.390   53.284   13.136 -13.61308 18.05731 
1 1 1  -38   11   31 o   46.673   8.7390   17.442   5.9880   23.039   7.5859   8.1891   9.7534   56.170   10.347   37.175   14.086 18.99570 17.47808 
1 1 1  -38   11   32 o   50.985   8.9238   19.093   6.0005   17.205   7.6084   22.201   9.7598   47.954   11.791   54.015   13.398 -6.061310 17.84756 
1 1 1  -38   11   33 o   97.679   7.0261   66.169   9.3004   66.169   9.3004   0.0000   0.0000   97.679   7.0261  ?   ?       ?      ? 
1 1 1  -38   11   34 o   46.653   11.782   16.316   7.4502   16.316   7.4502   0.0000   0.0000   46.653   11.782  ?   ?       ?      ? 
1 1 1  -38   11   35 o  108.567   5.6690   78.467   7.9843   69.729   9.7536   96.216   13.901  100.174   7.1850  116.961   8.7707 -16.78687 11.33796 
1 1 1  -38   11   36 o   43.637   9.8010   14.244   6.5186   15.080   8.8196   13.238   9.6774   44.704   13.457   42.570   14.253 2.133640 19.60206 
1 1 1  -38   11   37 o   71.405   8.1277   36.388   7.3116   21.684   9.5870   56.832   11.304   53.206   13.325   89.605   9.3095 -36.39909 16.25531 
1 1 1  -38   11   38 o   72.563   8.2641   39.524   7.7196   45.490   10.447   32.350   11.457   80.005   9.6362   65.121   13.428 14.88425 16.52813 
1 1 1  -38   11   39 o  129.014   6.0015  115.549   10.366  107.415   13.473  127.349   16.227  123.778   8.0323  134.251   8.9194 -10.47268 12.00305 
1 1 1  -38   11   40 o   71.477   8.4940   39.025   7.7499   46.057   10.406   30.264   11.614   80.455   9.5441   62.500   14.053 17.95493 16.98795 
1 1 1  -38   11   41 o  118.084   6.2233   97.391   9.8359   91.308   12.789  106.199   15.389  113.906   8.2855  122.261   9.2881 -8.354927 12.44663 
1 1 1  -38   11   42 f   93.701   8.4196   63.662   10.468   67.778   16.761   61.030   13.404   95.511   12.950   91.891   10.764 3.619797 16.83912 
1 1 1  -38   11   43 o   58.894   9.4110   26.611   7.2675   25.623   9.5586   27.965   11.189   57.948   12.537   59.840   14.039 -1.892323 18.82205 
1 1 1  -38   11   44 o  150.630   5.8968  159.835   11.791  158.482   15.208  161.874   18.669  150.437   7.4599  150.822   9.1344 -0.3851013 11.79352 
1 1 1  -38   11   45 o  100.523   6.5931   71.435   8.8610   68.008   11.516   76.408   13.873   97.940   8.6768  103.107   9.9292 -5.167320 13.18620 
1 1 1  -38   11   46 o   46.680   9.9241   16.406   6.9060   11.623   9.2267   22.499   10.414   39.993   13.904   53.367   14.164 -13.37346 19.84830 
1 1 1  -38   11   47 o  133.315   7.7803  125.114   14.056  125.114   14.056   0.0000   0.0000  133.315   7.7803  ?   ?       ?      ? 
1 1 1  -38   11   48 o   60.253   16.081   29.796   13.375   29.796   13.375   0.0000   0.0000   60.253   16.081  ?   ?       ?      ? 
1 1 1  -38   11   49 o   77.227   9.4009   45.510   9.5080   46.689   14.593   44.640   12.533   76.909   14.535   77.546   11.927 -0.6376038 18.80178 
1 1 1  -38   11   50 o   67.524   10.165   35.571   8.9111   40.458   13.954   32.205   11.580   71.071   14.961   63.978   13.765 7.093296 20.33008 
1 1 1  -38   11   51 o   41.454   10.926   11.010   8.0707   17.801   13.298   7.0490   10.155   47.351   16.678   35.557   14.118 11.79389 21.85103 
1 1 1  -38   11   52 o   89.743   9.1675   63.241   10.423   51.137   15.829   72.508   13.849   79.723   15.206   99.763   10.244 -20.03962 18.33498 
1 1 1  -38   11   53 o   44.733   11.214   14.299   8.4731   21.926   13.607   9.4684   10.829   51.250   16.892   38.215   14.752 13.03456 22.42715 
1 1 1  -38   11   54 o   47.881   10.584   18.761   8.5992   5.8310   13.522   27.541   11.143   37.269   15.699   58.492   14.200 -21.22276 21.16859 
1 1 1  -38   11   55 o   86.893   9.3948   58.842   10.554   55.954   16.339   60.910   13.826   83.264   15.033   90.522   11.271 -7.257584 18.78955 
1 1 1  -38   11   56 o  130.041   9.9682  123.479   17.566   0.0000   0.0000  123.479   17.566  ?   ?   130.041   9.9682      ?      ? 
1 1 1  -38   11   57 f  105.809   8.3364   85.539   11.702   71.475   17.178   97.717   15.985   96.251   13.170  115.367   10.224 -19.11603 16.67282 
1 1 1  -38   11   58 o   34.519   10.293   4.5967   8.1357   6.1348   12.567   3.4869   10.675   36.376   15.218   32.662   13.864 3.714466 20.58589 
1 1 1  -38   11   59 o  101.682   8.3151   77.028   11.367   90.710   17.316   66.666   15.069  109.584   11.660   93.780   11.857 15.80426 16.63013 
1 1 1  -38   11   60 o   58.791   10.170   29.167   9.6034   8.4822   13.990   47.599   13.206   38.861   16.139   78.720   12.380 -39.85962 20.34059 
1 1 1  -38   11   61 o   83.658   15.101   57.941   16.490   57.941   16.490   0.0000   0.0000   83.658   15.101  ?   ?       ?      ? 
1 1 1  -38   11   62 o   32.843   10.118   2.1578   8.5685  -2.0788   12.783   5.6142   11.546   30.995   14.059   34.691   14.554 -3.696079 20.23574 
1 1 1  -38   11   63 o   70.756   11.236   43.218   10.494   43.159   15.355   43.270   14.375   70.144   16.441   71.368   15.321 -1.224106 22.47295 
1 1 1  -38   11   64 o   72.794   10.995   44.618   10.811   61.565   16.261   31.193   14.473   87.315   13.743   58.274   17.167 29.04088 21.99018 
1 1 1  -38   11   65 o   48.536   11.914   21.351   9.6466   24.478   13.692   18.270   13.593   51.517   16.943   45.555   16.755 5.962162 23.82836 
1 1 1  -38   11   66 o   43.237   11.372   15.190   9.3029   7.7900   12.963   23.048   13.358   36.595   15.391   49.880   16.746 -13.28540 22.74443 
1 1 1  -38   11   67 o   78.305   10.844   54.033   11.184   39.237   15.763   69.029   15.869   63.940   17.625   92.670   12.637 -28.73021 21.68739 
1 1 1  -38   11   68 o   67.797   16.886   43.195   15.455   0.0000   0.0000   43.195   15.455  ?   ?    67.797   16.886      ?      ? 
1 1 1  -38   11   69 f   40.054   16.146   13.331   13.491   0.0000   0.0000   13.331   13.491  ?   ?    40.054   16.146      ?      ? 
1 1 1  -38   11   70 o   33.640   14.793   4.8192   13.039   0.0000   0.0000   4.8192   13.039  ?   ?    33.640   14.793      ?      ? 
1 1 1  -38   11   71 o   53.108   17.446   29.490   14.518   0.0000   0.0000   29.490   14.518  ?   ?    53.108   17.446      ?      ? 
1 1 1  -38   11   72 o   46.879   17.441   23.671   14.809   0.0000   0.0000   23.671   14.809  ?   ?    46.879   17.441      ?      ? 
1 1 1  -38   12    1 o   88.761   8.6159   55.802   10.363   55.802   10.363   0.0000   0.0000   88.761   8.6159  ?   ?       ?      ? 
1 1 1  -38   12    2 o   95.680   8.3429   64.626   10.817   64.626   10.817   0.0000   0.0000   95.680   8.3429  ?   ?       ?      ? 
1 1 1  -38   12    3 o   65.624   10.232   30.989   9.0990   30.989   9.0990   0.0000   0.0000   65.624   10.232  ?   ?       ?      ? 
1 1 1  -38   12    4 o  113.564   7.7765   90.469   11.968   90.469   11.968   0.0000   0.0000  113.564   7.7765  ?   ?       ?      ? 
1 1 1  -38   12    5 o   68.043   9.8466   33.121   9.0792   33.121   9.0792   0.0000   0.0000   68.043   9.8466  ?   ?       ?      ? 
1 1 1  -38   12    6 o   56.167   11.579   23.689   8.5203   23.689   8.5203   0.0000   0.0000   56.167   11.579  ?   ?       ?      ? 
1 1 1  -38   12    7 o   60.697   11.102   27.351   8.7951   27.351   8.7951   0.0000   0.0000   60.697   11.102  ?   ?       ?      ? 
1 1 1  -38   12    8 o  112.555   7.7587   88.702   11.834   88.702   11.834   0.0000   0.0000  112.555   7.7587  ?   ?       ?      ? 
1 1 1  -38   12    9 o   76.646   9.7476   41.877   10.124   41.877   10.124   0.0000   0.0000   76.646   9.7476  ?   ?       ?      ? 
1 1 1  -38   12   10 o  108.442   8.0553   82.484   11.838   82.484   11.838   0.0000   0.0000  108.442   8.0553  ?   ?       ?      ? 
1 1 1  -38   12   11 o   47.637   13.340   17.387   8.9537   17.387   8.9537   0.0000   0.0000   47.637   13.340  ?   ?       ?      ? 
1 1 1  -38   12   12 f   51.560   12.787   20.282   8.8908   20.282   8.8908   0.0000   0.0000   51.560   12.787  ?   ?       ?      ? 
1 1 1  -38   12   13 f   58.512   8.1577   24.014   6.4684   24.014   6.4684   0.0000   0.0000   58.512   8.1577  ?   ?       ?      ? 
1 1 1  -38   12   14 o  128.669   4.7931  112.335   7.9860  106.586   9.8225  123.545   13.717  124.316   5.8306  133.023   7.6092 -8.706207 9.586185 
1 1 1  -38   12   15 o   93.898   6.0087   62.304   7.6026   57.482   11.039   66.655   10.486   90.203   9.0305   97.593   7.9289 -7.389122 12.01738 
1 1 1  -38   12   16 o   57.406   8.1368   24.706   6.0803   22.001   9.5194   26.571   7.9024   53.620   13.191   61.191   9.5299 -7.570862 16.27356 
1 1 1  -38   12   17 o   40.030   7.9021   11.104   4.7775   5.2069   6.4173   18.436   7.1556   30.273   11.437   49.787   10.907 -19.51359 15.80421 
1 1 1  -38   12   18 o   68.338   6.2825   32.293   5.7590   28.259   7.5292   37.980   8.9405   63.330   8.7732   73.347   8.9949 -10.01674 12.56493 
1 1 1  -38   12   19 o   37.559   8.3659   9.7629   4.8545   6.4500   6.4838   13.989   7.3232   31.973   11.600   43.145   12.058 -11.17259 16.73185 
1 1 1  -38   12   20 o   66.196   8.5547   30.817   7.6739   30.817   7.6739   0.0000   0.0000   66.196   8.5547  ?   ?       ?      ? 
1 1 1  -38   12   21 o   31.162   8.3593   5.4149   4.8521   4.5230   6.5760   6.4808   7.1886   29.622   11.479   32.702   12.155 -3.079664 16.71854 
1 1 1  -38   12   22 o   38.097   8.5671   10.501   5.1913   14.031   7.0296   6.2657   7.6991   43.234   11.709   32.960   12.509 10.27459 17.13415 
1 1 1  -38   12   23 o   84.619   6.0022   50.181   6.7058   49.616   8.5567   51.079   10.796   84.345   7.4863   84.892   9.3841 -0.5473099 12.00439 
1 1 1  -38   12   24 o  119.271   5.2693   97.125   8.1715   92.125   10.103  106.584   13.896  115.344   6.4634  123.197   8.3237 -7.853104 10.53851 
1 1 1  -38   12   25 f   53.146   8.3989   20.500   5.8123   17.105   7.4342   25.838   9.3223   47.684   11.613   58.608   12.137 -10.92372 16.79778 
1 1 1  -38   12   26 o   39.098   9.4373   10.706   6.0445   8.4690   8.3314   13.193   8.7829   36.065   13.139   42.131   13.550 -6.066200 18.87457 
1 1 1  -38   12   27 o   54.049   9.0361   22.135   6.4845   20.823   8.6861   23.788   9.7460   52.358   12.428   55.740   13.120 -3.382145 18.07224 
1 1 1  -38   12   28 o  104.525   8.1517   84.776   10.613   54.547   16.160  107.700   14.072   85.317   13.977  123.734   8.3926 -38.41730 16.30341 
1 1 1  -38   12   29 o   45.596   9.1921   15.724   6.4358   23.087   8.9093   7.6886   9.3070   55.225   12.228   35.967   13.728 19.25827 18.38427 
1 1 1  -38   12   30 o  106.883   6.1615   80.607   8.8245   80.294   11.645   81.029   13.524  106.963   8.0341  106.802   9.3440 0.1605301 12.32305 
1 1 1  -38   12   31 o   32.947   9.1376   5.5392   6.0028   7.4044   8.3416   3.5359   8.6450   34.764   13.059   31.131   12.784 3.633448 18.27516 
1 1 1  -38   12   32 o   61.570   8.3747   27.948   6.8214   22.661   9.2849   34.147   10.055   54.387   12.809   68.753   10.792 -14.36572 16.74935 
1 1 1  -38   12   33 o   56.529   12.688   24.426   9.4813   24.426   9.4813   0.0000   0.0000   56.529   12.688  ?   ?       ?      ? 
1 1 1  -38   12   34 o  127.500   5.8748  111.938   10.001   99.809   12.870  130.435   15.892  119.180   7.9685  135.821   8.6346 -16.64107 11.74961 
1 1 1  -38   12   35 f   72.429   7.9086   38.947   7.4770   42.241   10.144   35.030   11.064   76.825   9.7436   68.033   12.460 8.792336 15.81729 
1 1 1  -38   12   36 o   94.691   6.6196   64.005   8.4325   64.403   11.302   63.505   12.665   95.324   8.7489   94.058   9.9365 1.265701 13.23925 
1 1 1  -38   12   37 o   89.150   6.8284   56.449   8.1987   52.864   10.890   61.141   12.457   86.066   9.3373   92.235   9.9660 -6.168816 13.65672 
1 1 1  -38   12   38 o   75.669   8.0084   43.175   7.7879   49.992   10.581   35.118   11.504   83.663   9.3328   67.675   13.017 15.98868 16.01689 
1 1 1  -38   12   39 o   38.351   9.7164   10.214   6.4119   8.9972   8.8346   11.569   9.3206   36.735   13.508   39.966   13.970 -3.230957 19.43286 
1 1 1  -38   12   40 o   96.256   6.6267   65.216   8.5645   58.286   11.223   74.879   13.252   90.346   9.1669  102.166   9.5719 -11.81958 13.25344 
1 1 1  -38   12   41 o   51.796   14.075   21.240   10.137   0.0000   0.0000   21.240   10.137  ?   ?    51.796   14.075      ?      ? 
1 1 1  -38   12   42 o   73.715   11.571   40.087   11.558   0.0000   0.0000   40.087   11.558  ?   ?    73.715   11.571      ?      ? 
1 1 1  -38   12   43 o   70.950   9.6662   38.803   8.8709   42.628   13.723   36.058   11.626   73.574   14.279   68.325   13.033 5.249146 19.33243 
1 1 1  -38   12   44 o   56.307   10.529   25.867   8.1681   23.194   12.430   27.899   10.836   53.148   15.970   59.466   13.725 -6.318035 21.05769 
1 1 1  -38   12   45 o   42.253   9.8975   13.051   7.6367   0.2757   12.065   21.590   9.8640   32.363   14.231   52.143   13.759 -19.78043 19.79498 
1 1 1  -38   12   46 o   86.071   8.5114   55.834   9.7622   51.828   14.813   58.910   12.980   82.463   13.255   89.680   10.680 -7.216743 17.02283 
1 1 1  -38   12   47 o   70.750   14.922   40.329   13.856   40.329   13.856   0.0000   0.0000   70.750   14.922  ?   ?       ?      ? 
1 1 1  -38   12   48 o   38.813   10.512   9.6578   7.6830   12.915   11.816   7.2727   10.112   42.019   15.591   35.606   14.104 6.413197 21.02341 
1 1 1  -38   12   49 o   39.584   10.505   10.605   7.9555   4.5825   12.011   15.312   10.619   35.048   14.782   44.119   14.930 -9.071339 21.00936 
1 1 1  -38   12   50 o   74.265   9.7279   43.733   9.4348   39.184   14.148   47.377   12.661   68.997   15.509   79.533   11.747 -10.53651 19.45571 
1 1 1  -38   12   51 o   91.011   9.3855   66.633   10.648   49.406   16.072   80.111   14.216   77.302   15.874  104.721   10.018 -27.41869 18.77094 
1 1 1  -38   12   52 o   62.662   10.868   32.014   9.0576   36.644   14.138   28.790   11.796   66.090   15.965   59.234   14.752 6.855690 21.73701 
1 1 1  -38   12   53 o   85.950   9.5684   59.729   10.367   44.424   15.393   72.432   14.023   72.800   16.037   99.099   10.442 -26.29913 19.13682 
1 1 1  -38   12   54 o  108.956   8.3748   91.730   11.968   71.330   17.511  109.611   16.395   95.599   13.517  122.313   9.8913 -26.71314 16.74954 
1 1 1  -38   12   55 o   87.802   12.334   59.022   14.675   0.0000   0.0000   59.022   14.675  ?   ?    87.802   12.334      ?      ? 
1 1 1  -38   12   56 o   64.885   10.715   35.914   10.083   19.097   14.330   52.400   14.189   47.493   17.243   82.277   12.726 -34.78474 21.43054 
1 1 1  -38   12   57 o   70.830   11.066   42.437   10.326   43.660   15.062   41.354   14.183   71.547   15.943   70.113   15.353 1.434456 22.13292 
1 1 1  -38   12   58 o   61.031   10.466   31.512   9.8367   12.973   13.846   50.406   13.978   41.807   16.521   80.254   12.852 -38.44659 20.93173 
1 1 1  -38   12   59 o   37.010   10.576   7.2669   8.5813   0.2003   11.963   14.757   12.316   31.305   13.947   42.716   15.903 -11.41059 21.15249 
1 1 1  -38   12   60 o   41.243   16.033   13.179   12.860   13.179   12.860   0.0000   0.0000   41.243   16.033  ?   ?       ?      ? 
1 1 1  -38   12   61 o   78.426   15.533   52.990   15.924   52.990   15.924   0.0000   0.0000   78.426   15.533  ?   ?       ?      ? 
1 1 1  -38   12   62 o   35.787   10.737   6.3845   9.0750   9.7535   13.260   3.4163   12.446   38.243   15.784   33.331   14.560 4.911770 21.47365 
1 1 1  -38   12   63 o   33.741   10.255   2.3596   8.9538   12.294   12.844  -7.0340   12.489   39.805   15.854   27.677   13.013 12.12800 20.51079 
1 1 1  -38   12   64 o   46.107   11.919   19.683   9.8293   23.842   13.959   15.594   13.843   49.788   17.114   42.425   16.595 7.362286 23.83876 
1 1 1  -38   12   65 o   40.521   10.987   10.471   9.3297  -1.4953   12.486   25.599   14.039   29.999   13.718   51.043   17.167 -21.04391 21.97470 
1 1 1  -38   12   66 o   65.994   11.674   41.545   10.544   34.451   14.888   48.682   14.934   58.699   17.442   73.288   15.520 -14.58891 23.34702 
1 1 1  -38   12   67 o   29.806   13.666  -1.1326   12.507   0.0000   0.0000  -1.1326   12.507  ?   ?    29.806   13.666      ?      ? 
1 1 1  -38   12   68 o   43.042   16.507   18.196   13.497   0.0000   0.0000   18.196   13.497  ?   ?    43.042   16.507      ?      ? 
1 1 1  -38   12   69 o   30.281   13.782   0.8533   12.417   0.0000   0.0000   0.8533   12.417  ?   ?    30.281   13.782      ?      ? 
1 1 1  -38   12   70 o   50.075   17.314   27.694   14.298   0.0000   0.0000   27.694   14.298  ?   ?    50.075   17.314      ?      ? 
1 1 1  -38   13    1 f   37.041   14.812   7.6805   11.254   7.6805   11.254   0.0000   0.0000   37.041   14.812  ?   ?       ?      ? 
1 1 1  -38   13    2 o   26.837   12.198  -3.6898   9.6839  -3.6898   9.6839   0.0000   0.0000   26.837   12.198  ?   ?       ?      ? 
1 1 1  -38   13    3 o   44.239   15.149   15.095   10.934   15.095   10.934   0.0000   0.0000   44.239   15.149  ?   ?       ?      ? 
1 1 1  -38   13    4 o   65.090   14.402   33.664   12.367   33.664   12.367   0.0000   0.0000   65.090   14.402  ?   ?       ?      ? 
1 1 1  -38   13    5 o   41.211   15.092   12.141   11.012   12.141   11.012   0.0000   0.0000   41.211   15.092  ?   ?       ?      ? 
1 1 1  -38   13    6 o   73.785   13.871   42.474   13.360   42.474   13.360   0.0000   0.0000   73.785   13.871  ?   ?       ?      ? 
1 1 1  -38   13    7 o   82.609   13.506   51.786   15.119   51.786   15.119   0.0000   0.0000   82.609   13.506  ?   ?       ?      ? 
1 1 1  -38   13    8 o   54.976   16.408   24.845   13.154   24.845   13.154   0.0000   0.0000   54.976   16.408  ?   ?       ?      ? 
1 1 1  -38   13    9 o   75.563   14.930   45.238   14.746   45.238   14.746   0.0000   0.0000   75.563   14.930  ?   ?       ?      ? 
1 1 1  -38   13   10 o   70.100   15.047   39.134   13.866   39.134   13.866   0.0000   0.0000   70.100   15.047  ?   ?       ?      ? 
1 1 1  -38   13   11 o   98.124   12.239   71.466   16.274   71.466   16.274   0.0000   0.0000   98.124   12.239  ?   ?       ?      ? 
1 1 1  -38   13   12 o   94.245   12.701   66.335   16.221   66.335   16.221   0.0000   0.0000   94.245   12.701  ?   ?       ?      ? 
1 1 1  -38   13   13 o   52.011   16.382   21.913   12.890   21.913   12.890   0.0000   0.0000   52.011   16.382  ?   ?       ?      ? 
1 1 1  -38   13   14 o   70.747   14.864   39.608   13.798   39.608   13.798   0.0000   0.0000   70.747   14.864  ?   ?       ?      ? 
1 1 1  -38   13   15 o   40.843   15.997   10.350   12.876   10.350   12.876   0.0000   0.0000   40.843   15.997  ?   ?       ?      ? 
1 1 1  -38   13   16 o   30.625   13.731  -2.4387   11.795  -2.4387   11.795   0.0000   0.0000   30.625   13.731  ?   ?       ?      ? 
1 1 1  -38   13   17 o   32.314   14.353  -1.1907   12.575  -1.1907   12.575   0.0000   0.0000   32.314   14.353  ?   ?       ?      ? 
1 1 1  -38   13   18 o   66.105   16.162   35.523   14.357   35.523   14.357   0.0000   0.0000   66.105   16.162  ?   ?       ?      ? 
1 1 1  -38   13   19 o   61.730   16.145   31.042   13.659   31.042   13.659   0.0000   0.0000   61.730   16.145  ?   ?       ?      ? 
1 1 1  -38   13   20 o   59.316   11.205   26.357   8.6770   26.357   8.6770   0.0000   0.0000   59.316   11.205  ?   ?       ?      ? 
1 1 1  -38   13   21 o   40.774   8.6442   12.339   5.3773   7.6794   7.5724   17.078   7.6372   34.267   12.520   47.281   11.922 -13.01408 17.28847 
1 1 1  -38   13   22 o   52.865   8.5164   21.348   5.9678   22.525   8.4193   20.158   8.4605   54.484   11.749   51.245   12.332 3.239021 17.03284 
1 1 1  -38   13   23 o   66.290   7.1826   31.663   6.4490   30.534   8.9551   32.880   9.2948   65.064   10.157   67.516   10.159 -2.452133 14.36527 
1 1 1  -38   13   24 o   51.459   8.5998   20.199   5.9984   14.616   8.2798   26.367   8.7022   43.629   13.017   59.290   11.242 -15.66151 17.19963 
1 1 1  -38   13   25 o   37.857   9.1110   10.305   5.6556   12.336   7.8870   8.1550   8.1142   40.474   12.822   35.240   12.947 5.233803 18.22193 
1 1 1  -38   13   26 o  104.262   5.9746   77.037   8.3826   77.444   11.242   76.528   12.581  104.850   7.9118  103.674   8.9548 1.176796 11.94926 
1 1 1  -38   13   27 o   95.883   7.9869   70.240   9.7360   56.099   15.655   79.159   12.433   86.190   13.403  105.576   8.6901 -19.38548 15.97378 
1 1 1  -38   13   28 o   39.299   10.317   9.0243   6.9365   15.932   12.412   5.8869   8.3647   45.688   16.111   32.910   12.893 12.77773 20.63420 
1 1 1  -38   13   29 o   80.462   6.9529   46.947   7.5129   50.665   10.276   42.678   11.011   84.296   8.9961   76.628   10.604 7.667809 13.90587 
1 1 1  -38   13   30 o   42.675   9.1297   13.705   6.0110   8.2463   8.4934   19.182   8.5081   35.573   13.214   49.777   12.601 -14.20357 18.25931 
1 1 1  -38   13   31 o   72.449   7.5995   38.568   7.0885   28.449   9.6869   50.231   10.400   61.076   12.132   83.821   9.1560 -22.74499 15.19898 
1 1 1  -38   13   32 o   73.531   7.5983   39.300   7.5355   38.010   10.115   40.908   11.296   72.387   10.312   74.674   11.162 -2.287392 15.19651 
1 1 1  -38   13   33 o   41.208   15.251   12.004   11.293   12.004   11.293   0.0000   0.0000   41.208   15.251  ?   ?       ?      ? 
1 1 1  -38   13   34 o   54.090   10.185   22.003   7.5721   31.645   12.267   16.068   9.6246   62.892   14.664   45.288   14.139 17.60423 20.36955 
1 1 1  -38   13   35 o   36.826   9.9007   7.4523   6.8878   13.845   10.857   3.1467   8.9104   42.860   15.073   30.792   12.842 12.06855 19.80146 
1 1 1  -38   13   36 o   43.302   10.330   14.460   7.4031   9.7213   11.275   18.052   9.8155   38.916   15.044   47.687   14.160 -8.770088 20.66033 
1 1 1  -38   13   37 o   52.415   10.097   22.767   8.0075   11.362   12.104   31.645   10.678   40.883   15.643   63.948   12.770 -23.06498 20.19353 
1 1 1  -38   13   38 o   52.420   9.4519   22.733   8.0099   5.5392   12.541   34.578   10.410   36.394   15.212   68.446   11.223 -32.05131 18.90377 
1 1 1  -38   13   39 o   85.075   9.2845   58.224   9.7747   39.390   14.570   73.638   13.181   69.211   15.873  100.938   9.6361 -31.72694 18.56904 
1 1 1  -38   13   40 o   46.704   11.037   17.314   8.0793   18.208   12.934   16.741   10.346   47.547   16.466   45.861   14.702 1.685478 22.07466 
1 1 1  -38   13   41 o   48.979   14.673   19.397   10.505   0.0000   0.0000   19.397   10.505  ?   ?    48.979   14.673      ?      ? 
1 1 1  -38   13   42 o   57.370   9.0360   27.166   8.4773   2.0895   12.605   47.876   11.455   33.922   14.738   80.818   10.459 -46.89570 18.07194 
1 1 1  -38   13   43 o   41.008   10.325   12.228   7.7373   4.4147   11.856   18.024   10.211   34.744   14.671   47.271   14.531 -12.52665 20.64977 
1 1 1  -38   13   44 o   55.175   11.137   25.138   8.6399   27.573   13.467   23.434   11.264   56.970   16.496   53.380   14.967 3.590439 22.27367 
1 1 1  -38   13   45 f   59.562   10.486   30.190   8.8440   18.684   13.120   39.771   11.973   47.693   16.581   71.431   12.841 -23.73807 20.97141 
1 1 1  -38   13   46 o   42.227   15.937   13.181   12.453   13.181   12.453   0.0000   0.0000   42.227   15.937  ?   ?       ?      ? 
1 1 1  -38   13   47 o   78.724   10.017   51.229   10.083   27.372   14.166   75.723   14.354   56.117   17.091  101.330   10.453 -45.21264 20.03411 
1 1 1  -38   13   48 o   44.305   10.982   15.757   8.2491   12.633   12.420   18.222   11.034   41.562   15.860   47.047   15.194 -5.485466 21.96369 
1 1 1  -38   13   49 o   69.111   10.595   38.686   9.5914   46.671   14.681   32.740   12.669   75.485   14.881   62.738   15.087 12.74751 21.19072 
1 1 1  -38   13   50 o   74.728   10.149   45.284   9.8321   46.050   14.895   44.693   13.089   74.488   15.269   74.968   13.374 -0.4802856 20.29813 
1 1 1  -38   13   51 o   33.092   10.022   3.3865   7.9699   4.6229   11.975   2.4033   10.678   34.519   14.669   31.664   13.661 2.854994 20.04472 
1 1 1  -38   13   52 o   72.807   10.126   46.116   9.7659   23.731   14.263   65.871   13.399   51.638   17.304   93.976   10.521 -42.33740 20.25188 
1 1 1  -38   13   53 o  108.306   8.5063   91.872   12.055   69.137   17.351  113.088   16.761   93.096   13.753  123.515   10.014 -30.41949 17.01250 
1 1 1  -38   13   54 o   53.786   15.802   25.283   12.279   0.0000   0.0000   25.283   12.279  ?   ?    53.786   15.802      ?      ? 
1 1 1  -38   13   55 o   47.027   11.631   19.422   9.1652   17.694   13.894   20.753   12.195   45.430   16.896   48.625   15.990 -3.194794 23.26248 
1 1 1  -38   13   56 o   65.899   11.153   37.990   9.7985   38.055   14.582   37.937   13.230   65.206   16.492   66.591   15.019 -1.385193 22.30584 
1 1 1  -38   13   57 f   33.932   10.269   4.2501   8.4024   8.8283   12.692   0.6785   11.211   37.356   15.432   30.507   13.551 6.848850 20.53730 
1 1 1  -38   13   58 o   32.512   10.119   2.0002   8.6456   6.1187   12.908  -1.3505   11.643   35.385   15.138   29.638   13.433 5.746647 20.23875 
1 1 1  -38   13   59 o   37.008   15.615   8.3284   13.415   8.3284   13.415   0.0000   0.0000   37.008   15.615  ?   ?       ?      ? 
1 1 1  -38   13   60 o   24.407   11.761 -12.0453   11.564 -12.0453   11.564   0.0000   0.0000   24.407   11.761  ?   ?       ?      ? 
1 1 1  -38   13   61 o   49.814   11.645   23.166   9.6634   33.280   14.017   14.006   13.340   58.927   16.758   40.701   16.175 18.22613 23.29060 
1 1 1  -38   13   62 o   41.577   11.185   14.420   9.3348   5.2713   13.272   23.377   13.132   34.232   14.992   48.922   16.603 -14.69039 22.36981 
1 1 1  -38   13   63 o   44.332   11.780   19.180   9.6390   17.492   14.211   20.618   13.118   42.847   16.799   45.816   16.518 -2.968979 23.55992 
1 1 1  -38   13   64 o   51.464   11.310   26.086   9.8510   12.093   14.049   39.620   13.817   38.417   16.082   64.512   15.905 -26.09507 22.61906 
1 1 1  -38   13   65 o   31.396   9.9165   1.5873   8.9549  -6.3983   12.896   9.0242   12.445   27.388   12.981   35.403   14.995 -8.014416 19.83307 
1 1 1  -38   13   66 o   79.918   14.970   59.288   15.617   0.0000   0.0000   59.288   15.617  ?   ?    79.918   14.970      ?      ? 
1 1 1  -38   14    6 o   51.244   16.730   22.040   13.359   22.040   13.359   0.0000   0.0000   51.244   16.730  ?   ?       ?      ? 
1 1 1  -38   14    7 o   69.423   15.810   39.812   14.541   39.812   14.541   0.0000   0.0000   69.423   15.810  ?   ?       ?      ? 
1 1 1  -38   14    8 o   75.167   14.702   45.339   14.440   45.339   14.440   0.0000   0.0000   75.167   14.702  ?   ?       ?      ? 
1 1 1  -38   14    9 o   47.977   16.564   18.699   13.083   18.699   13.083   0.0000   0.0000   47.977   16.564  ?   ?       ?      ? 
1 1 1  -38   14   10 f   73.685   15.830   44.586   15.335   44.586   15.335   0.0000   0.0000   73.685   15.830  ?   ?       ?      ? 
1 1 1  -38   14   11 o   90.590   13.186   62.672   16.187   62.672   16.187   0.0000   0.0000   90.590   13.186  ?   ?       ?      ? 
1 1 1  -38   14   26 o   20.787   10.103 -13.7175   9.0065 -13.7175   9.0065   0.0000   0.0000   20.787   10.103  ?   ?       ?      ? 
1 1 1  -38   14   27 o   91.165   9.8606   60.316   12.182   0.0000   0.0000   60.316   12.182  ?   ?    91.165   9.8606      ?      ? 
1 1 1  -38   14   28 o   96.061   7.8930   71.353   9.6455   48.552   14.314   90.317   13.054   79.660   13.260  112.462   8.5659 -32.80193 15.78598 
1 1 1  -38   14   29 o   41.069   10.170   12.538   6.8792   13.822   10.906   11.689   8.8650   42.600   15.093   39.539   13.636 3.061012 20.34067 
1 1 1  -38   14   30 o   62.636   9.4299   32.433   7.8228   21.746   12.154   39.991   10.221   51.252   15.870   74.019   10.190 -22.76746 18.85986 
1 1 1  -38   14   31 o   70.666   9.4990   41.610   8.5632   26.145   13.089   53.182   11.322   55.742   16.298   85.591   9.7616 -29.84911 18.99806 
1 1 1  -38   14   32 o   41.293   15.316   12.442   11.402   12.442   11.402   0.0000   0.0000   41.293   15.316  ?   ?       ?      ? 
1 1 1  -38   14   33 o   41.461   9.5889   9.1875   7.1041   25.129   11.304  -1.2198   9.1333   55.426   14.779   27.495   12.222 27.93102 19.17781 
1 1 1  -38   14   34 o   45.620   10.622   16.413   7.5383   19.061   11.642   14.501   9.8919   48.222   15.610   43.018   14.411 5.204391 21.24492 
1 1 1  -38   14   35 o   54.653   10.232   25.006   7.8601   18.888   12.043   29.546   10.374   47.957   15.896   61.348   12.889 -13.39118 20.46451 
1 1 1  -38   14   36 o   46.444   10.566   17.325   7.4817   18.704   11.531   16.323   9.8326   47.752   15.541   45.136   14.318 2.615837 21.13121 
1 1 1  -38   14   37 o   36.755   10.256   8.2033   7.4408   9.0441   11.611   7.6175   9.6926   38.109   15.107   35.401   13.875 2.708290 20.51247 
1 1 1  -38   14   38 o   43.391   10.581   14.639   8.0190   7.2279   12.106   20.433   10.704   36.928   15.142   49.853   14.784 -12.92528 21.16231 
1 1 1  -38   14   39 o   44.909   10.883   16.303   7.9793   14.662   12.443   17.449   10.399   43.515   16.026   46.303   14.729 -2.787956 21.76651 
1 1 1  -38   14   40 o   61.751   13.445   30.476   10.932   0.0000   0.0000   30.476   10.932  ?   ?    61.751   13.445      ?      ? 
1 1 1  -38   14   41 o   58.597   10.421   28.023   8.1869   31.151   12.669   25.780   10.728   61.004   15.341   56.190   14.109 4.813934 20.84202 
1 1 1  -38   14   42 o   45.381   10.274   14.316   7.6984   27.791   12.143   5.2608   9.9544   57.478   15.314   33.285   13.699 24.19229 20.54745 
1 1 1  -38   14   43 o   34.416   10.057   5.6985   7.5418   6.7458   11.661   4.9453   9.8885   35.929   14.812   32.904   13.609 3.025543 20.11461 
1 1 1  -38   14   44 o   62.986   10.798   33.002   9.0123   35.902   14.073   30.987   11.734   64.661   16.118   61.311   14.373 3.349724 21.59543 
1 1 1  -38   14   45 f   60.522   16.990   32.490   14.505   32.490   14.505   0.0000   0.0000   60.522   16.990  ?   ?       ?      ? 
1 1 1  -38   14   46 o   94.433   9.5998   71.865   11.637   56.536   16.681   86.396   16.241   81.978   15.586  106.888   11.212 -24.91035 19.19967 
1 1 1  -38   14   47 o   59.825   10.871   32.275   9.3961   19.727   14.361   41.666   12.424   47.607   17.265   72.043   13.213 -24.43583 21.74106 
1 1 1  -38   14   48 o   86.788   9.8215   62.956   10.670   48.804   16.354   73.445   14.080   74.622   16.601   98.954   10.500 -24.33232 19.64293 
1 1 1  -38   14   49 o  145.741   7.8137  165.237   14.884  127.150   21.860  198.156   20.322  127.160   12.686  164.322   9.1264 -37.16119 15.62734 
1 1 1  -38   14   50 o   48.478   11.368   19.051   8.8702   30.443   14.138   11.655   11.391   57.662   16.961   39.295   15.141 18.36695 22.73623 
1 1 1  -38   14   51 o   63.185   11.142   36.214   9.7433   27.243   14.520   43.561   13.141   53.873   17.433   72.497   13.881 -18.62371 22.28433 
1 1 1  -38   14   52 o   66.652   11.087   39.531   9.8699   35.258   14.571   43.154   13.417   61.799   16.909   71.506   14.345 -9.706707 22.17384 
1 1 1  -38   14   53 o   32.052   13.984   2.9749   11.448   0.0000   0.0000   2.9749   11.448  ?   ?    32.052   13.984      ?      ? 
1 1 1  -38   14   54 o   33.331   10.259   4.0725   8.6623   4.4261   12.523   3.7480   11.995   33.763   14.679   32.900   14.335 0.8630295 20.51721 
1 1 1  -38   14   55 o   34.604   10.451   5.5177   8.7303   10.532   12.950   1.3405   11.820   38.121   15.650   31.087   13.855 7.034304 20.90191 
1 1 1  -38   14   56 o   45.593   10.698   17.298   9.1760   1.7544   13.191   31.873   12.773   32.355   14.513   58.831   15.721 -26.47595 21.39562 
1 1 1  -38   14   57 f   33.818   10.212   5.1368   8.6215  -1.8053   12.565   11.314   11.852   29.751   13.662   37.886   15.182 -8.134720 20.42421 
1 1 1  -38   14   58 o   35.926   15.306   8.3589   13.098   8.3589   13.098   0.0000   0.0000   35.926   15.306  ?   ?       ?      ? 
1 1 1  -38   14   59 o   43.462   16.522   18.413   13.446   18.413   13.446   0.0000   0.0000   43.462   16.522  ?   ?       ?      ? 
1 1 1  -38   14   60 f   71.442   10.655   49.008   11.084   21.654   15.349   78.820   16.023   45.242   17.536   97.642   12.109 -52.40007 21.31049 
1 1 1  -38   14   61 o   41.343   11.495   16.758   9.4606   14.856   13.318   18.696   13.442   39.780   16.040   42.906   16.469 -3.125553 22.98975 
1 1 1  -38   14   62 o   53.959   11.628   31.052   10.290   17.522   14.758   43.852   14.354   41.285   16.799   66.634   16.080 -25.34903 23.25508 
1 1 1  -38   15   34 o   41.443   10.316   10.621   7.8978   23.654   12.136   1.0459   10.402   52.502   15.781   30.384   13.291 22.11821 20.63177 
1 1 1  -38   15   35 o   72.321   9.8376   43.009   9.2801   34.716   13.799   49.857   12.540   63.489   16.034   81.153   11.402 -17.66316 19.67522 
1 1 1  -38   15   36 o   67.498   10.220   37.323   9.0268   40.816   13.575   34.554   12.086   70.136   14.750   64.860   14.149 5.275551 20.43917 
1 1 1  -38   15   37 o   41.790   10.065   12.150   8.0347  -1.0578   11.718   23.868   11.038   30.428   13.661   53.151   14.786 -22.72301 20.13072 
1 1 1  -38   15   38 o   65.628   10.130   37.495   9.5563   16.664   13.799   56.694   13.247   44.857   16.807   86.399   11.315 -41.54248 20.26074 
1 1 1  -38   15   39 o   46.106   15.439   18.054   11.354   0.0000   0.0000   18.054   11.354  ?   ?    46.106   15.439      ?      ? 
1 1 1  -38   15   40 o   44.154   11.105   16.345   8.3571   15.387   12.539   17.111   11.210   43.308   16.062   44.999   15.339 -1.691277 22.20977 
1 1 1  -38   15   41 o   24.838   8.2603  -7.7393   7.0125  -3.7111   10.789 -10.6859   9.2275   27.640   12.680   22.036   10.590 5.603470 16.52067 
1 1 1  -38   15   42 o   36.991   10.452   9.0262   8.0535   5.1820   12.267   11.938   10.676   34.644   14.788   39.338   14.775 -4.693184 20.90388 
1 1 1  -38   15   43 o   59.689   10.986   30.526   9.0654   40.196   13.795   23.175   12.027   68.291   15.287   51.087   15.782 17.20491 21.97160 
1 1 1  -38   15   44 o   53.714   16.529   26.382   13.208   26.382   13.208   0.0000   0.0000   53.714   16.529  ?   ?       ?      ? 
1 1 1  -38   15   45 o   72.874   10.361   45.555   9.9938   35.687   14.345   54.863   13.931   62.459   16.646   83.289   12.343 -20.83026 20.72288 
1 1 1  -38   15   46 f   41.821   11.107   14.188   8.6132   19.165   12.773   10.037   11.664   46.092   16.334   37.550   15.057 8.541889 22.21486 
1 1 1  -38   15   47 o   38.143   10.583   9.6681   8.4534   1.9113   11.815   17.803   12.100   31.613   13.983   44.674   15.890 -13.06099 21.16688 
1 1 1  -38   15   48 o   52.402   11.168   25.133   9.4989   12.539   13.486   37.533   13.381   39.959   16.131   64.845   15.448 -24.88549 22.33520 
1 1 1  -38   15   49 o   54.018   11.959   27.864   9.6882   31.305   14.581   25.144   12.964   56.561   17.361   51.474   16.452 5.087185 23.91806 
1 1 1  -38   15   50 o   91.651   10.052   72.584   11.772   57.728   17.110   85.939   16.223   79.092   16.498  104.209   11.488 -25.11636 20.10324 
1 1 1  -38   15   51 o  109.943   9.1375  101.242   13.184   80.649   19.204  119.597   18.131   96.219   14.728  123.667   10.819 -27.44849 18.27502 
1 1 1  -38   15   52 o   38.078   15.417   11.621   12.359   0.0000   0.0000   11.621   12.359  ?   ?    38.078   15.417      ?      ? 
1 1 1  -38   15   53 o   30.773   9.7220   1.0650   8.5449  -5.5704   12.622   6.6789   11.610   27.772   13.065   33.775   14.400 -6.003286 19.44401 
1 1 1  -38   15   54 o   36.106   10.670   9.4539   8.7114   12.212   12.909   7.1474   11.805   38.189   15.645   34.022   14.514 4.166836 21.34043 
1 1 1  -38   15   55 o   31.125   9.8767   2.1006   8.6808   5.7918   12.626  -1.2081   11.954   33.369   14.618   28.880   13.285 4.489449 19.75343 
1 1 1  -38   15   56 o   34.580   10.447   8.2870   8.6601   8.0591   12.746   8.4825   11.803   34.640   14.935   34.520   14.611 0.1205177 20.89304 
1 1 1  -38   15   57 o   28.828   13.398  -1.7566   12.621  -1.7566   12.621   0.0000   0.0000   28.828   13.398  ?   ?       ?      ? 
1 1 1  -38   16   42 o   29.799   13.649  -1.6464   12.433  -1.6464   12.433   0.0000   0.0000   29.799   13.649  ?   ?       ?      ? 
1 1 1  -38   16   43 o   36.741   15.261   9.5550   12.512   9.5550   12.512   0.0000   0.0000   36.741   15.261  ?   ?       ?      ? 
1 1 1  -38   16   44 o   33.848   10.057   3.8195   8.2625   15.367   12.513  -5.1088   11.002   41.313   15.882   26.382   12.343 14.93132 20.11459 
1 1 1  -38   16   45 o   39.300   10.812   13.339   8.3986   10.088   12.612   15.930   11.258   36.858   15.317   41.742   15.264 -4.883709 21.62384 
1 1 1  -38   16   46 o   60.074   10.078   34.229   9.5369   13.268   13.786   53.467   13.207   39.343   16.149   80.804   12.061 -41.46073 20.15581 
1 1 1  -38   16   47 o   41.541   10.459   14.916   8.7966  -0.0504   13.454   26.091   11.626   30.894   14.168   52.189   15.389 -21.29521 20.91792 
1 1 1  -38   16   48 o   31.007   9.7120   3.0282   8.2063  -1.2153   12.471   6.2686   10.898   29.350   13.527   32.664   13.940 -3.314035 19.42400 
1 1 1  -38   16   49 o   38.390   10.655   12.553   8.6125   4.6623   12.545   19.587   11.845   32.459   14.381   44.321   15.727 -11.86201 21.31028 
1 1 1  -38   16   50 o   25.622   8.6037  -6.9194   8.1641 -11.3678   12.135  -3.2410   11.035   24.528   11.875   26.716   12.453 -2.187334 17.20735 
1 1 1  -38   16   51 o   43.285   16.035   19.487   12.489   0.0000   0.0000   19.487   12.489  ?   ?    43.285   16.035      ?      ? 
1 1 1  -37    0    2 o  425.952   8.3745  1235.82   48.297   0.0000   0.0000  1235.82   48.297  425.952   8.3745  425.952   8.3745 -0.000000 0.000000 
1 1 1  -37    0    3 o  259.164   9.6296  459.390   33.714   0.0000   0.0000  459.390   33.714  259.164   9.6296  259.164   9.6296 -0.000000 0.000000 
1 1 1  -37    0    4 o  188.438   9.3262  243.528   23.682   0.0000   0.0000  243.528   23.682  188.438   9.3262  188.438   9.3262 -0.000000 0.000000 
1 1 1  -37    0    5 o  235.385   9.4399  379.063   30.001   0.0000   0.0000  379.063   30.001  235.385   9.4399  235.385   9.4399 -0.000000 0.000000 
1 1 1  -37    0    6 o  183.095   9.3261  229.975   23.003   0.0000   0.0000  229.975   23.003  183.095   9.3261  183.095   9.3261 -0.000000 0.000000 
1 1 1  -37    0    7 o  162.587   9.4542  181.770   20.669   0.0000   0.0000  181.770   20.669  162.587   9.4542  162.587   9.4542 -0.000000 0.000000 
1 1 1  -37    0    8 o  397.010   8.1173  1073.03   43.630   0.0000   0.0000  1073.03   43.630  397.010   8.1173  397.010   8.1173 -0.000000 0.000000 
1 1 1  -37    0    9 o  545.609   9.8911  2029.38   73.078   0.0000   0.0000  2029.38   73.078  545.609   9.8911  545.609   9.8911 -0.000000 0.000000 
1 1 1  -37    0   10 o  196.680   6.7625  263.651   17.976   0.0000   0.0000  263.651   17.976  196.680   6.7625  196.680   6.7625 -0.000000 0.000000 
1 1 1  -37    0   11 o  432.397   8.5181  1273.03   49.868   0.0000   0.0000  1273.03   49.868  432.397   8.5181  432.397   8.5181 -0.000000 0.000000 
1 1 1  -37    0   12 o  298.055   7.2042  604.576   29.060   0.0000   0.0000  604.576   29.060  298.055   7.2042  298.055   7.2042 -0.000000 0.000000 
1 1 1  -37    0   13 o  141.998   7.0180  137.957   13.429   0.0000   0.0000  137.957   13.429  141.998   7.0180  141.998   7.0180 -0.000000 0.000000 
1 1 1  -37    0   14 o   67.448   11.328   33.482   9.4764   0.0000   0.0000   33.482   9.4764   67.448   11.328   67.448   11.328 -0.000000 0.000000 
1 1 1  -37    0   15 o   55.572   14.106   24.720   9.1852   0.0000   0.0000   24.720   9.1852   55.572   14.106   55.572   14.106 -0.000000 0.000000 
1 1 1  -37    0   16 o  202.737   6.8371  280.094   18.735   0.0000   0.0000  280.094   18.735  202.737   6.8371  202.737   6.8371 -0.000000 0.000000 
1 1 1  -37    0   17 o  311.619   7.4588  660.917   31.457   0.0000   0.0000  660.917   31.457  311.619   7.4588  311.619   7.4588 -0.000000 0.000000 
1 1 1  -37    0   19 o  281.001   9.8731  539.587   37.491  539.587   37.491   0.0000   0.0000  281.001   9.8731  281.001   9.8731 -0.000000 0.000000 
1 1 1  -37    0   20 o  339.180   10.519  786.035   48.244  786.035   48.244   0.0000   0.0000  339.180   10.519  339.180   10.519 -0.000000 0.000000 
1 1 1  -37    0   21 o  200.214   6.6418  274.885   17.879  299.724   25.418  250.560   25.154  209.324   8.9986  191.105   9.7713 -0.000000 0.000000 
1 1 1  -37    0   22 o   58.760   12.309   29.287   8.5358   31.118   11.560   27.092   12.657   62.283   15.842   55.237   18.845 -0.000000 0.000000 
1 1 1  -37    0   23 o   53.422   13.113   25.473   8.5336   25.273   11.388   25.728   12.888   53.822   17.618   53.023   19.428 -0.000000 0.000000 
1 1 1  -37    0   24 o  129.530   7.2283  116.416   12.497  117.537   17.411  115.226   17.948  130.249   10.000  128.810   10.440 -0.000000 0.000000 
1 1 1  -37    0   25 o  296.381   7.1900  600.210   28.796  587.962   40.289  613.001   41.172  293.281   10.165  299.481   10.171 -0.000000 0.000000 
1 1 1  -37    0   26 o  460.988   8.9111  1454.71   55.570  1474.21   79.047  1435.65   78.138  464.053   12.591  457.924   12.613 -0.000000 0.000000 
1 1 1  -37    0   27 o  192.538   6.8530  254.188   17.742  275.591   25.422  233.865   24.772  200.564   9.4006  184.511   9.9741 -0.000000 0.000000 
1 1 1  -37    0   28 o  581.645   10.451  2322.87   82.253  2309.32  115.948  2336.60  116.701  579.937   14.775  583.354   14.784 -0.000000 0.000000 
1 1 1  -37    0   29 o  413.432   8.3941  1164.62   46.839  1262.47   68.860  1080.36   63.899  429.570   11.849  397.294   11.893 -0.000000 0.000000 
1 1 1  -37    0   30 o  169.010   6.9654  196.224   15.796  213.896   22.780  179.859   21.922  176.469   9.5905  161.552   10.104 -0.000000 0.000000 
1 1 1  -37    0   31 o  181.775   6.9032  226.960   16.892  229.019   23.945  224.920   23.834  182.609   9.7395  180.942   9.7857 -0.000000 0.000000 
1 1 1  -37    0   32 f  249.631   7.0088  426.333   23.617  411.669   33.061  441.615   33.749  245.210   9.9870  254.053   9.8363 -0.000000 0.000000 
1 1 1  -37    0   33 o  184.888   7.0271  234.744   17.465  218.529   24.375  251.853   25.037  178.214   10.169  191.562   9.7016 -0.000000 0.000000 
1 1 1  -37    0   34 o  272.891   10.195  509.686   37.583   0.0000   0.0000  509.686   37.583  272.891   10.195  272.891   10.195 -0.000000 0.000000 
1 1 1  -37    0   35 o  435.613   12.313  1300.23   72.554   0.0000   0.0000  1300.23   72.554  435.613   12.313  435.613   12.313 -0.000000 0.000000 
1 1 1  -37    0   36 o  454.686   8.9674  1415.92   55.119  1461.72   79.766  1374.06   76.252  461.693   12.771  447.679   12.592 -0.000000 0.000000 
1 1 1  -37    0   37 o  371.547   8.0381  944.434   40.365  978.579   58.198  912.783   56.033  378.023   11.384  365.070   11.351 -0.000000 0.000000 
1 1 1  -37    0   38 f  181.395   7.1419  226.611   17.386  207.468   24.436  246.238   24.743  173.452   10.484  189.339   9.7015 -0.000000 0.000000 
1 1 1  -37    0   39 o  299.616   7.4214  613.217   30.009  651.284   43.755  579.411   41.234  308.403   10.497  290.828   10.494 -0.000000 0.000000 
1 1 1  -37    0   40 f  162.636   7.3345  183.232   15.947  166.666   22.685  199.418   22.422  155.093   10.918  170.179   9.7971 -0.000000 0.000000 
1 1 1  -37    0   41 o  254.082   7.1913  441.907   24.650  462.648   35.729  423.066   34.053  259.785   10.185  248.379   10.156 -0.000000 0.000000 
1 1 1  -37    0   42 f  290.717   10.602  579.534   41.640  579.534   41.640   0.0000   0.0000  290.717   10.602  290.717   10.602 -0.000000 0.000000 
1 1 1  -37    0   43 o  123.198   11.941  106.755   19.505  106.755   19.505   0.0000   0.0000  123.198   11.941  123.198   11.941 -0.000000 0.000000 
1 1 1  -37    0   44 o   46.507   14.422   20.373   10.205   30.830   15.358   12.103   13.657   57.703   21.232   35.310   19.524 -0.000000 0.000000 
1 1 1  -37    0   45 o  181.239   7.3161  227.008   17.798  218.131   25.635  235.270   24.730  177.654   10.738  184.823   9.9396 -0.000000 0.000000 
1 1 1  -37    0   46 o  253.202   7.2532  440.129   24.774  445.072   35.849  435.610   34.276  254.509   10.434  251.894   10.078 -0.000000 0.000000 
1 1 1  -37    0   47 o  224.793   7.1886  348.089   21.744  322.068   30.788  373.986   30.714  216.214   10.565  233.372   9.7507 -0.000000 0.000000 
1 1 1  -37    0   48 o  237.829   7.2828  389.373   23.344  381.803   33.624  396.418   32.435  235.483   10.585  240.175   10.005 -0.000000 0.000000 
1 1 1  -37    0   49 o  244.402   7.3214  408.863   24.080  440.157   35.746  382.865   32.582  252.922   10.470  235.883   10.237 -0.000000 0.000000 
1 1 1  -37    0   50 o  174.130   7.5761  211.393   17.573  197.319   25.983  223.257   23.856  168.400   11.509  179.859   9.8554 -0.000000 0.000000 
1 1 1  -37    0   51 o  161.028   7.7071  176.387   16.455  209.755   25.630  152.988   21.463  173.844   10.980  148.212   10.819 -0.000000 0.000000 
1 1 1  -37    0   52 o   65.427   13.724   36.313   10.470   38.396   16.280   34.844   13.672   66.319   20.665   64.535   18.065 -0.000000 0.000000 
1 1 1  -37    0   53 o  112.978   8.5713   90.598   12.629   92.470   19.249   89.183   16.734  113.664   12.929  112.292   11.256 -0.000000 0.000000 
1 1 1  -37    0   54 o  156.026   10.105  169.034   21.160   0.0000   0.0000  169.034   21.160  156.026   10.105  156.026   10.105 -0.000000 0.000000 
1 1 1  -37    0   55 o   68.012   17.517   37.866   13.954   0.0000   0.0000   37.866   13.954   68.012   17.517   68.012   17.517 -0.000000 0.000000 
1 1 1  -37    0   56 o  121.265   8.4201  104.485   13.372  103.056   20.244  105.591   17.811  120.084   12.807  122.446   10.935 -0.000000 0.000000 
1 1 1  -37    0   57 o   88.408   10.623   56.828   11.383   71.856   18.155   47.094   14.611   98.670   14.495   78.146   15.535 -0.000000 0.000000 
1 1 1  -37    0   58 o   32.897   13.374   10.178   9.4746   8.3078   15.303   11.340   12.065   32.287   19.399   33.507   18.415 -0.000000 0.000000 
1 1 1  -37    0   59 f   92.956   10.855   66.776   11.873   53.626   17.723   77.483   15.993   81.975   18.261  103.938   11.740 -0.000000 0.000000 
1 1 1  -37    0   60 o  256.638   7.5863  457.207   26.258  460.100   37.949  454.549   36.369  257.305   10.928  255.972   10.525 -0.000000 0.000000 
1 1 1  -37    0   61 f  192.454   11.049  258.905   28.598  258.905   28.598   0.0000   0.0000  192.454   11.049  192.454   11.049 -0.000000 0.000000 
1 1 1  -37    0   62 o   44.895   13.528   20.853   9.8744   8.9209   15.115   29.736   13.042   32.390   19.371   57.399   18.890 -0.000000 0.000000 
1 1 1  -37    0   63 f  123.125   8.3227  108.200   13.412  108.789   20.669  107.772   17.627  122.888   12.724  123.362   10.731 -0.000000 0.000000 
1 1 1  -37    0   64 o  110.222   8.9623   89.519   12.539   79.856   19.079   96.866   16.636  103.703   14.363  116.741   10.724 -0.000000 0.000000 
1 1 1  -37    0   65 f  147.676   7.6704  150.742   14.991  180.489   23.290  129.702   19.587  160.027   10.854  135.325   10.841 -0.000000 0.000000 
1 1 1  -37    0   66 o   92.484   10.729   66.993   11.632   53.823   17.492   77.436   15.575   81.437   18.141  103.531   11.460 -0.000000 0.000000 
1 1 1  -37    0   67 o   36.953   13.572   12.003   9.3027   24.278   15.048   4.4102   11.835   47.412   21.593   26.493   16.449 -0.000000 0.000000 
1 1 1  -37    0   68 o   26.775   11.720   4.6209   8.5280  -0.8816   14.508   7.5259   10.542   25.231   16.619   28.318   16.531 -0.000000 0.000000 
1 1 1  -37    0   69 o  107.182   8.8759   84.286   12.114   83.943   19.143   84.515   15.644  106.024   14.004  108.340   10.910 -0.000000 0.000000 
1 1 1  -37    0   70 o   29.972   17.019   9.1639   10.726   0.0000   0.0000   9.1639   10.726   29.972   17.019   29.972   17.019 -0.000000 0.000000 
1 1 1  -37    0   71 o   78.818   13.574   47.685   13.208   0.0000   0.0000   47.685   13.208   78.818   13.574   78.818   13.574 -0.000000 0.000000 
1 1 1  -37    0   72 o   25.661   15.731   4.9083   10.502   0.0000   0.0000   4.9083   10.502   25.661   15.731   25.661   15.731 -0.000000 0.000000 
1 1 1  -37    0   73 f   45.087   19.194   21.344   11.926   0.0000   0.0000   21.344   11.926   45.087   19.194   45.087   19.194 -0.000000 0.000000 
1 1 1  -37    0   74 o   33.930   18.103   12.833   11.325   0.0000   0.0000   12.833   11.325   33.930   18.103   33.930   18.103 -0.000000 0.000000 
1 1 1  -37    1    1 o  262.840   4.7827  470.503   17.030  478.531   24.438  462.923   23.746  265.010   6.8048  260.670   6.7224 4.340332 9.565377 
1 1 1  -37    1    2 o  175.583   4.6067  209.893   10.958  211.819   15.714  208.069   15.289  176.359   6.5750  174.807   6.4542 1.551682 9.213465 
1 1 1  -37    1    3 o  347.640   5.3254  823.992   25.083  836.895   35.921  811.713   35.041  350.284   7.5673  344.996   7.4951 5.288635 10.65088 
1 1 1  -37    1    4 o  282.793   4.9232  544.852   18.866  544.899   26.819  544.807   26.544  282.797   6.9982  282.789   6.9265 0.7812500E-02 9.846410 
1 1 1  -37    1    5 f  274.661   4.8839  513.894   18.177  511.003   25.775  516.755   25.639  273.884   6.9446  275.437   6.8689 -1.553345 9.767835 
1 1 1  -37    1    6 o  378.533   5.5812  977.532   28.629  976.413   40.578  978.640   40.398  378.310   7.9151  378.755   7.8708 -0.4455261 11.16238 
1 1 1  -37    1    7 o  298.284   5.0392  606.187   20.369  599.795   28.788  612.595   28.823  296.702   7.1599  299.867   7.0930 -3.164581 10.07846 
1 1 1  -37    1    8 o  174.958   4.7221  208.143   11.187  219.902   16.113  197.202   15.544  179.731   6.6158  170.186   6.7399 9.544342 9.444252 
1 1 1  -37    1    9 o  191.260   4.7200  248.979   12.232  254.920   17.421  243.202   17.178  193.514   6.6432  189.006   6.7069 4.508530 9.440084 
1 1 1  -37    1   10 o  174.790   4.7399  207.991   11.224  201.308   15.818  214.767   15.928  171.952   6.7882  177.629   6.6171 -5.676514 9.479774 
1 1 1  -37    1   11 o  129.313   7.1331  114.141   12.475  120.051   18.369  109.081   16.994  132.390   10.239  126.236   9.9343 6.153954 14.26613 
1 1 1  -37    1   12 o  214.089   6.7764  313.426   19.628  314.706   28.603  312.287   26.985  214.447   9.8425  213.731   9.3169 0.7160187 13.55281 
1 1 1  -37    1   13 o  218.290   9.3428  325.750   27.637   0.0000   0.0000  325.750   27.637  ?   ?   218.290   9.3428      ?      ? 
1 1 1  -37    1   14 o  331.422   6.6752  726.708   27.459  811.693   51.435  692.833   32.474  343.990   11.034  318.855   7.5155 25.13483 13.35031 
1 1 1  -37    1   15 o  352.433   5.4682  846.527   26.109  819.952   36.662  873.875   37.192  346.803   7.8009  358.063   7.6648 -11.25995 10.93638 
1 1 1  -37    1   16 o  148.016   6.0992  154.745   11.581  168.382   14.624  131.810   18.965  157.268   6.8619  138.764   10.085 18.50381 12.19845 
1 1 1  -37    1   17 o  144.806   5.6814  148.935   9.6769  155.636   11.330  130.861   18.607  151.325   5.5249  138.287   9.9291 13.03824 11.36275 
1 1 1  -37    1   18 o   94.059   6.1858   54.127   7.0364   47.528   8.0785   74.867   14.322   83.539   7.1361  104.580   10.106 -21.04124 12.37164 
1 1 1  -37    1   19 o   92.797   6.4353   57.166   7.1099   55.424   8.2165   62.358   14.185   90.237   6.7192   95.357   10.978 -5.119141 12.87070 
1 1 1  -37    1   20 o  167.536   4.6449  191.088   10.541  186.133   14.982  195.945   14.834  165.371   6.6852  169.700   6.4504 -4.329041 9.289793 
1 1 1  -37    1   21 o  148.270   4.7911  149.715   9.6202  143.566   13.611  155.853   13.599  145.212   6.9169  151.328   6.6313 -6.115952 9.582114 
1 1 1  -37    1   22 o  373.507   7.8966  956.894   39.958  926.560   56.006  988.343   57.026  367.446   11.248  379.568   11.087 -12.12103 15.79310 
1 1 1  -37    1   23 o  341.023   7.5796  797.239   35.023  782.019   49.473  812.531   49.589  337.726   10.810  344.319   10.628 -6.593018 15.15918 
1 1 1  -37    1   24 f  227.410   4.8049  352.052   14.807  348.703   20.883  355.437   20.998  226.320   6.8089  228.500   6.7813 -2.179321 9.609732 
1 1 1  -37    1   25 o  229.542   4.7684  358.679   14.832  356.546   20.953  360.822   20.999  228.856   6.7563  230.228   6.7307 -1.372467 9.536760 
1 1 1  -37    1   26 o  132.730   7.1159  119.996   12.799  119.996   12.799   0.0000   0.0000  132.730   7.1159  ?   ?       ?      ? 
1 1 1  -37    1   27 o  173.160   6.7605  204.138   15.864  204.138   15.864   0.0000   0.0000  173.160   6.7605  ?   ?       ?      ? 
1 1 1  -37    1   28 o  195.756   4.7986  260.902   12.729  262.228   18.090  259.602   17.915  196.246   6.8025  195.266   6.7701 0.9805298 9.597298 
1 1 1  -37    1   29 o  183.871   4.8273  230.131   12.026  236.008   17.195  224.504   16.825  186.170   6.8157  181.573   6.8380 4.597153 9.654634 
1 1 1  -37    1   30 o  310.491   5.2073  656.645   21.903  677.226   31.417  637.180   30.553  315.224   7.3547  305.757   7.3738 9.466614 10.41457 
1 1 1  -37    1   31 o  394.765   7.1345  1083.00   36.255  1119.59   45.195  1016.94   60.724  404.984   8.2351  384.546   11.653 20.43784 14.26892 
1 1 1  -37    1   32 o  278.531   6.1957  535.079   22.226  546.574   27.622  513.966   37.435  283.200   7.1974  273.862   10.087 9.337555 12.39149 
1 1 1  -37    1   33 o  293.642   6.3327  600.760   23.962  628.783   30.014  551.502   39.793  303.712   7.2925  283.571   10.355 20.14188 12.66545 
1 1 1  -37    1   34 o  371.659   5.6309  942.770   28.359  948.787   40.302  936.869   39.912  372.829   7.9768  370.489   7.9497 2.339874 11.26176 
1 1 1  -37    1   35 o  189.707   4.8768  245.164   12.535  251.061   17.870  239.452   17.588  191.956   6.8699  187.457   6.9238 4.498672 9.753639 
1 1 1  -37    1   36 o  270.070   5.0510  497.251   18.485  498.530   26.263  495.996   26.022  270.408   7.1672  269.732   7.1191 0.6768799 10.10201 
1 1 1  -37    1   37 o  274.711   6.2337  519.226   21.945  507.007   37.507  525.587   27.061  271.799   10.183  277.622   7.1930 -5.822296 12.46740 
1 1 1  -37    1   38 o  141.385   6.3732  137.244   11.558  135.602   19.777  138.095   14.244  140.503   10.387  142.267   7.3881 -1.763870 12.74638 
1 1 1  -37    1   39 o  176.249   4.9891  211.383   11.893  230.761   17.232  193.756   16.435  183.969   6.9121  168.530   7.1963 15.43903 9.978166 
1 1 1  -37    1   40 o  234.764   6.1423  365.926   18.160  407.940   33.118  347.863   21.715  243.714   10.028  225.813   7.0964 17.90057 12.28460 
1 1 1  -37    1   41 o  279.229   6.4254  538.230   22.712  523.453   39.708  545.415   27.688  275.773   10.625  282.685   7.2279 -6.911621 12.85073 
1 1 1  -37    1   42 o  219.791   5.0236  329.783   14.941  307.239   20.980  352.986   21.284  212.123   7.2984  227.460   6.9051 -15.33630 10.04727 
1 1 1  -37    1   43 o  316.766   5.3684  685.187   23.035  708.492   33.148  663.422   32.033  321.969   7.5973  311.563   7.5869 10.40558 10.73686 
1 1 1  -37    1   44 o  208.590   6.2521  297.764   16.626  296.502   20.311  300.327   28.943  208.347   7.1940  208.833   10.227 -0.4858856 12.50413 
1 1 1  -37    1   45 o  244.431   6.2664  407.457   19.454  402.766   23.641  417.297   34.241  242.793   7.1853  246.070   10.268 -3.276505 12.53274 
1 1 1  -37    1   46 o  138.520   5.4635  131.340   10.253  130.436   14.624  132.213   14.380  138.035   7.8182  139.005   7.6337 -0.9700470 10.92692 
1 1 1  -37    1   47 o  230.481   5.0820  363.176   15.868  350.913   22.311  375.727   22.572  226.521   7.2682  234.441   7.1048 -7.920456 10.16393 
1 1 1  -37    1   48 o  235.793   5.0886  380.312   16.259  383.020   23.023  377.617   22.966  236.636   7.1795  234.951   7.2132 1.685425 10.17720 
1 1 1  -37    1   49 o  154.956   5.3100  164.520   11.145  159.137   15.783  169.874   15.741  152.397   7.6423  157.515   7.3743 -5.117676 10.62002 
1 1 1  -37    1   50 o  131.057   5.6223  117.855   9.9838  120.618   14.186  115.144   14.053  132.590   7.8955  129.523   8.0065 3.066376 11.24464 
1 1 1  -37    1   51 o   51.572   9.9486   19.278   7.2189   23.273   10.367   15.517   10.058   56.415   13.698   46.729   14.431 9.685833 19.89714 
1 1 1  -37    1   52 o  129.703   5.5353  115.544   9.7289  115.209   13.786  115.876   13.731  129.510   7.8553  129.896   7.8007 -0.3864441 11.07051 
1 1 1  -37    1   53 o  172.495   6.0837  203.872   13.699  200.558   17.148  209.717   22.775  170.952   7.4020  174.039   9.6569 -3.087036 12.16740 
1 1 1  -37    1   54 o  163.039   5.2090  182.499   11.508  185.677   16.369  179.394   16.182  164.448   7.3454  161.629   7.3879 2.818604 10.41804 
1 1 1  -37    1   55 o   93.151   7.6202   59.108   9.2464   65.885   15.705   55.513   11.439   96.818   11.970   89.484   9.4334 7.334595 15.24037 
1 1 1  -37    1   56 o  153.350   6.3618  162.550   12.543  163.955   21.446  161.820   15.463  153.324   10.322  153.376   7.4397 -0.5154419E-01 12.72368 
1 1 1  -37    1   57 o  118.564   5.8899   97.399   9.4396   91.233   13.505  103.290   13.199  114.785   8.6822  122.344   7.9613 -7.559227 11.77982 
1 1 1  -37    1   58 o  170.296   5.1882  198.892   11.938  221.294   17.482  179.316   16.343  179.296   7.1951  161.296   7.4768 18.00029 10.37647 
1 1 1  -37    1   59 o  145.821   7.2853  156.772   12.799  130.779   23.199  168.145   15.345  135.445   12.639  156.198   7.2497 -20.75291 14.57069 
1 1 1  -37    1   60 o   51.513   8.8268   21.508   8.3001 -11.9606   14.885   36.610   9.9988   30.812   14.396   72.215   10.217 -41.40285 17.65356 
1 1 1  -37    1   61 o   84.854   6.9158   50.414   7.9460   48.332   10.978   52.706   11.516   83.023   9.7572   86.685   9.8037 -3.661896 13.83168 
1 1 1  -37    1   62 o  172.550   6.7284  210.880   14.445  214.309   17.401  203.280   25.908  176.037   7.2945  169.063   11.308 6.973709 13.45687 
1 1 1  -37    1   63 o  124.063   5.6206  107.006   9.4490  106.261   13.404  107.742   13.322  123.613   8.0020  124.514   7.8952 -0.9010849 11.24127 
1 1 1  -37    1   64 o   60.867   8.6615   27.610   6.9957   18.966   9.8344   36.465   9.9535   49.997   13.973   71.737   10.239 -21.74061 17.32309 
1 1 1  -37    1   65 o   53.479   8.4945   21.089   6.6980   7.3492   9.3155   35.795   9.6376   35.905   13.727   71.054   10.009 -35.14946 16.98897 
1 1 1  -37    1   66 o   87.888   6.6223   54.612   7.8835   55.838   11.079   53.355   11.221   88.954   9.1904   86.822   9.5370 2.132454 13.24455 
1 1 1  -37    1   67 o   71.038   8.1209   37.304   7.3766   50.139   10.697   25.668   10.186   84.118   9.3844   57.958   13.256 26.15937 16.24188 
1 1 1  -37    1   68 o   75.844   7.5396   41.841   7.4251   32.649   10.253   51.978   10.767   66.105   11.882   85.583   9.2840 -19.47730 15.07918 
1 1 1  -37    1   69 o   55.102   9.0877   25.525   7.5458   37.456   9.7095   7.3312   11.990   72.327   9.9064   37.877   15.238 34.45013 18.17542 
1 1 1  -37    1   70 o   36.096   9.9097   7.6034   6.8445   8.1397   8.7319   6.7488   11.023   35.780   13.377   36.412   14.624 -0.6315804 19.81940 
1 1 1  -37    1   71 f  106.397   7.6578   82.365   11.038   83.863   15.851   80.955   15.379  107.286   10.903  105.508   10.756 1.777473 15.31558 
1 1 1  -37    1   72 f   80.281   8.9770   48.676   9.5157   54.339   13.708   43.409   13.220   85.698   11.804   74.865   13.529 10.83393 17.95406 
1 1 1  -37    1   73 o   79.882   9.0699   48.552   9.5823   44.626   13.469   52.575   13.635   75.711   13.629   84.053   11.971 -8.341827 18.13986 
1 1 1  -37    1   74 o   85.985   12.092   55.308   14.090   0.0000   0.0000   55.308   14.090  ?   ?    85.985   12.092      ?      ? 
1 1 1  -37    1   75 o   76.811   12.761   44.776   13.283   0.0000   0.0000   44.776   13.283  ?   ?    76.811   12.761      ?      ? 
1 1 1  -37    2    1 o  199.062   5.6058  268.149   14.088  277.351   25.155  263.943   17.005  201.253   9.2235  196.870   6.3740 4.383514 11.21164 
1 1 1  -37    2    2 o  148.860   5.6493  147.942   10.621  160.600   19.160  142.326   12.762  153.162   9.2314  144.559   6.5145 8.603043 11.29857 
1 1 1  -37    2    3 o  119.665   5.9942   94.753   9.0851  106.570   16.422   89.541   10.906  124.711   9.7172  114.620   7.0215 10.09141 11.98850 
1 1 1  -37    2    4 o  264.470   5.9415  475.046   19.841  485.553   35.314  470.199   23.984  266.207   9.7893  262.733   6.7363 3.474243 11.88304 
1 1 1  -37    2    5 o  236.561   5.7849  377.311   17.271  395.224   30.950  369.211   20.813  240.271   9.5056  232.851   6.5958 7.419968 11.56983 
1 1 1  -37    2    6 o   89.310   5.6796   54.142   6.8545   59.670   10.115   49.447   9.3212   93.507   7.9825   85.113   8.0815 8.393723 11.35916 
1 1 1  -37    2    7 o  226.267   4.6998  347.770   14.393  366.177   20.997  331.455   19.767  231.895   6.6816  220.638   6.6113 11.25708 9.399604 
1 1 1  -37    2    8 o  171.480   4.7270  200.167   10.969  201.199   15.959  199.242   15.102  171.877   6.8516  171.082   6.5141 0.7958527 9.453993 
1 1 1  -37    2    9 o  210.097   6.5642  300.483   18.689   0.0000   0.0000  300.483   18.689  ?   ?   210.097   6.5642      ?      ? 
1 1 1  -37    2   10 o  233.456   4.7996  370.183   15.164  390.162   22.144  352.542   20.809  239.365   6.8268  227.546   6.7482 11.81943 9.599146 
1 1 1  -37    2   11 o  185.405   4.7686  233.816   11.975  241.913   17.260  226.301   16.629  188.495   6.7570  182.315   6.7307 6.180313 9.537276 
1 1 1  -37    2   12 o  448.931   6.1859  1376.51   37.630  1352.40   53.005  1401.01   53.431  444.950   8.7906  452.912   8.7056 -7.961517 12.37187 
1 1 1  -37    2   13 o  319.999   5.2613  697.925   22.813  689.859   32.363  705.890   32.162  318.144   7.5066  321.853   7.3740 -3.708557 10.52258 
1 1 1  -37    2   14 o  198.876   4.7912  269.260   12.910  269.912   18.457  268.635   18.064  199.103   6.8406  198.650   6.7104 0.4535370 9.582403 
1 1 1  -37    2   15 o  196.829   5.3758  267.163   12.511  270.506   14.554  257.699   24.486  199.508   5.3832  194.150   9.3069 5.358337 10.75160 
1 1 1  -37    2   16 o   80.865   7.6604   45.416   8.0930   47.169   10.289   42.573   13.106   83.077   9.1389   78.653   12.297 4.423820 15.32079 
1 1 1  -37    2   17 o  310.460   6.3336  667.020   25.511  689.918   32.091  627.700   42.051  318.188   7.4423  302.731   10.250 15.45728 12.66717 
1 1 1  -37    2   18 o  197.672   5.8435  269.241   15.044  276.588   18.976  256.813   24.680  201.540   6.9481  193.805   9.3973 7.735687 11.68702 
1 1 1  -37    2   19 o  201.248   5.4668  283.427   13.117  292.112   15.403  260.513   25.020  207.313   5.4828  195.184   9.4594 12.12880 10.93354 
1 1 1  -37    2   20 o  313.327   5.9147  665.791   21.953  661.361   25.440  678.708   43.442  311.840   6.0201  314.813   10.183 -2.973175 11.82943 
1 1 1  -37    2   21 o   79.275   7.1011   43.386   6.8453   43.857   8.0913   42.198   12.839   80.224   7.4427   78.327   12.096 1.897400 14.20229 
1 1 1  -37    2   22 o  209.303   4.6834  298.090   13.279  309.751   18.943  286.823   18.619  213.336   6.5525  205.269   6.6935 8.067154 9.366863 
1 1 1  -37    2   23 o  190.526   4.6896  247.062   12.107  249.131   17.247  245.052   16.999  191.310   6.6528  189.743   6.6112 1.567291 9.379137 
1 1 1  -37    2   24 o  324.732   5.2437  718.267   23.069  734.760   33.085  702.660   32.183  328.353   7.4354  321.110   7.3959 7.242645 10.48734 
1 1 1  -37    2   25 o  442.386   7.5490  1349.58   42.797  1365.98   52.778  1318.11   73.130  447.211   8.7088  437.562   12.333 9.649353 15.09805 
1 1 1  -37    2   26 o  181.567   5.9120  226.049   13.758  228.224   16.954  221.855   23.544  183.074   6.8338  180.060   9.6492 3.014603 11.82402 
1 1 1  -37    2   27 o  250.387   6.0943  430.404   19.479  421.454   33.584  434.940   23.911  248.074   9.9901  252.699   6.9827 -4.624634 12.18852 
1 1 1  -37    2   28 o  224.287   9.7951  344.402   29.771  344.402   29.771   0.0000   0.0000  224.287   9.7951  ?   ?       ?      ? 
1 1 1  -37    2   29 o  177.221   5.9941  217.695   13.646  225.159   16.972  204.044   22.952  181.819   6.8883  172.623   9.8116 9.195358 11.98816 
1 1 1  -37    2   30 o  246.307   4.9018  413.143   16.359  420.895   23.372  405.698   22.905  248.570   6.9384  244.043   6.9259 4.526520 9.803555 
1 1 1  -37    2   31 o   95.657   5.9284   62.681   7.6610   58.472   11.002   66.643   10.674   92.494   8.7779   98.821   7.9706 -6.326782 11.85672 
1 1 1  -37    2   32 o  245.655   4.9099  411.107   16.343  413.902   23.339  408.418   22.892  246.465   6.9878  244.845   6.8993 1.620956 9.819798 
1 1 1  -37    2   33 o  274.649   5.0401  514.218   18.756  506.066   26.594  522.284   26.455  272.466   7.2027  276.832   7.0520 -4.365875 10.08010 
1 1 1  -37    2   34 o  113.121   5.5033   87.417   8.4270   84.941   12.092   89.755   11.751  111.539   7.9998  114.703   7.5597 -3.163727 11.00664 
1 1 1  -37    2   35 o  154.993   4.9909  163.334   10.468  174.985   15.232  152.907   14.411  160.222   7.0155  149.763   7.1007 10.45934 9.981817 
1 1 1  -37    2   36 o  201.567   4.8848  276.835   13.339  280.661   19.147  273.227   18.594  202.910   6.9632  200.223   6.8527 2.686432 9.769623 
1 1 1  -37    2   37 o  200.785   6.0346  271.774   15.333  286.720   27.380  264.945   18.507  204.433   9.8832  197.138   6.9274 7.295074 12.06927 
1 1 1  -37    2   38 o  218.156   6.3200  330.540   17.162  313.754   30.742  338.139   20.686  213.606   10.620  222.705   6.8542 -9.099564 12.64009 
1 1 1  -37    2   39 o  157.676   6.4135  176.495   12.564  154.139   22.042  187.255   15.292  149.632   10.871  165.721   6.8092 -16.08942 12.82708 
1 1 1  -37    2   40 o  211.633   4.9625  305.551   14.228  306.264   20.372  304.871   19.880  211.858   7.0959  211.408   6.9392 0.4501038 9.924921 
1 1 1  -37    2   41 o  183.706   5.0077  230.198   12.459  233.750   17.995  226.928   17.266  185.048   7.1762  182.363   6.9866 2.685135 10.01545 
1 1 1  -37    2   42 o  195.767   5.0073  261.815   13.274  254.600   18.961  268.750   18.589  193.085   7.2464  198.448   6.9124 -5.362762 10.01460 
1 1 1  -37    2   43 o  126.046   5.5358  108.616   9.4529  111.150   13.570  106.227   13.176  127.469   7.8557  124.622   7.8020 2.846291 11.07168 
1 1 1  -37    2   44 o  281.586   5.2170  542.039   19.905  535.112   28.250  548.868   28.050  279.775   7.4512  283.397   7.3040 -3.622589 10.43406 
1 1 1  -37    2   45 o  228.894   6.3636  364.184   18.598  373.477   22.936  346.346   31.777  233.751   7.2408  224.038   10.467 9.712906 12.72722 
1 1 1  -37    2   46 o  222.247   6.2943  336.857   17.875  332.003   21.833  346.724   31.128  220.330   7.3123  224.164   10.247 -3.833664 12.58856 
1 1 1  -37    2   47 o  250.208   5.1402  427.639   17.415  450.552   25.159  406.559   24.131  256.646   7.2338  243.771   7.3048 12.87451 10.28049 
1 1 1  -37    2   48 o  247.746   5.1427  419.575   17.255  435.563   24.923  404.856   23.914  252.268   7.2904  243.225   7.2554 9.043274 10.28545 
1 1 1  -37    2   49 o  343.991   5.6198  811.916   26.195  802.935   37.105  820.840   36.986  342.064   8.0046  345.919   7.8901 -3.854767 11.23953 
1 1 1  -37    2   50 o  176.276   5.2315  213.014   12.492  209.887   17.826  216.031   17.512  174.972   7.5180  177.580   7.2771 -2.607681 10.46305 
1 1 1  -37    2   51 o  191.145   6.0279  249.140   15.102  242.430   18.964  260.771   24.968  188.017   7.4432  194.274   9.4838 -6.257385 12.05585 
1 1 1  -37    2   52 o  180.593   6.2011  230.132   14.580  246.985   18.659  203.708   23.364  189.778   7.2554  171.408   10.059 18.36958 12.40222 
1 1 1  -37    2   53 o  304.143   5.3818  635.587   22.175  616.142   31.261  655.282   31.461  299.408   7.7047  308.878   7.5163 -9.469330 10.76369 
1 1 1  -37    2   54 o  242.885   5.1587  405.169   16.975  403.940   24.256  406.349   23.765  242.485   7.3816  243.285   7.2084 -0.7993164 10.31744 
1 1 1  -37    2   55 o  147.155   5.3307  149.095   10.619  145.323   15.239  152.656   14.807  145.284   7.7401  149.026   7.3318 -3.741974 10.66137 
1 1 1  -37    2   56 o   96.250   7.6265   67.126   9.3132   57.533   15.562   72.479   11.624   90.091   12.747  102.410   8.3762 -12.31889 15.25297 
1 1 1  -37    2   57 o  195.588   6.1977  264.365   15.511  267.682   26.803  262.694   19.019  195.783   10.102  195.393   7.1827 0.3898010 12.39545 
1 1 1  -37    2   58 o  157.978   6.9796  179.282   13.515  161.989   24.425  186.913   16.225  151.243   11.917  164.712   7.2690 -13.46892 13.95911 
1 1 1  -37    2   59 f  152.207   5.4094  160.053   11.132  160.204   16.303  159.922   15.236  152.174   7.9059  152.240   7.3854 -0.6573486E-01 10.81879 
1 1 1  -37    2   60 o  231.445   5.1730  369.799   16.220  372.675   23.258  367.076   22.632  232.277   7.3888  230.612   7.2419 1.664963 10.34598 
1 1 1  -37    2   61 o  147.328   5.3901  149.980   10.750  159.286   15.597  141.560   14.836  151.686   7.5878  142.969   7.6577 8.716797 10.78028 
1 1 1  -37    2   62 o  138.035   7.1064  138.641   12.199  146.582   14.875  122.327   21.320  145.438   7.5475  130.632   12.043 14.80554 14.21287 
1 1 1  -37    2   63 o   48.022   11.293   16.403   8.0451   15.544   9.5463   18.507   14.945   45.705   14.050   50.340   17.685 -4.634563 22.58690 
1 1 1  -37    2   64 o  103.409   6.0218   74.965   8.3899   65.428   11.778   84.788   11.954   96.526   9.0044  110.292   7.9980 -13.76591 12.04351 
1 1 1  -37    2   65 f   96.787   6.2836   65.886   8.2369   63.795   11.691   67.947   11.607   95.191   9.0628   98.382   8.7063 -3.191223 12.56718 
1 1 1  -37    2   66 o   79.499   7.1396   45.417   7.5878   37.578   10.801   53.057   10.662   72.290   11.025   86.709   9.0742 -14.41876 14.27917 
1 1 1  -37    2   67 f   72.557   8.4052   37.171   7.9269   46.739   13.030   31.550   9.9876   80.032   12.015   65.082   11.757 14.95004 16.81030 
1 1 1  -37    2   68 o   41.276   10.181   11.122   7.0047   6.9654   8.9794   17.582   11.195   34.870   13.441   47.682   15.295 -12.81166 20.36141 
1 1 1  -37    2   69 o   67.163   9.1157   34.913   7.8057   37.625   9.9314   30.532   12.625   72.359   10.128   61.966   15.159 10.39306 18.23146 
1 1 1  -37    2   70 o   35.574   9.4136   4.0174   6.6840  -3.9641   8.5624   16.469   10.694   25.072   11.424   46.076   14.965 -21.00430 18.82721 
1 1 1  -37    2   71 o   94.289   8.2346   65.646   10.491   61.497   15.021   69.596   14.658   91.019   12.178   97.558   11.087 -6.538910 16.46923 
1 1 1  -37    2   72 o  144.798   7.0879  151.451   13.897  156.073   20.156  147.262   19.185  146.803   10.132  142.794   9.9147 4.009048 14.17582 
1 1 1  -37    2   73 f  146.747   9.8603  155.784   19.608   0.0000   0.0000  155.784   19.608  ?   ?   146.747   9.8603      ?      ? 
1 1 1  -37    2   74 o   39.387   15.065   10.399   11.222   0.0000   0.0000   10.399   11.222  ?   ?    39.387   15.065      ?      ? 
1 1 1  -37    2   75 o   81.719   12.292   50.359   13.613   0.0000   0.0000   50.359   13.613  ?   ?    81.719   12.292      ?      ? 
1 1 1  -37    3    1 f  223.394   4.6340  339.374   14.005  351.164   20.532  329.117   19.151  226.991   6.6749  219.796   6.4296 7.194962 9.267907 
1 1 1  -37    3    2 f  390.741   6.9257  1049.57   34.842  1054.86   43.102  1039.59   59.183  392.919   8.0950  388.564   11.240 4.354492 13.85136 
1 1 1  -37    3    3 f  242.328   5.7815  403.677   18.155  409.865   22.684  392.650   30.282  245.232   6.8259  239.423   9.3333 5.809540 11.56306 
1 1 1  -37    3    4 o  143.385   6.7713  141.378   13.077  135.676   19.363  146.160   17.731  140.616   10.161  146.154   8.9525 -5.537033 13.54252 
1 1 1  -37    3    5 o  197.678   6.4224  266.088   17.204   0.0000   0.0000  266.088   17.204  ?   ?   197.678   6.4224      ?      ? 
1 1 1  -37    3    6 o  332.385   5.2591  753.691   23.676  746.381   33.943  760.618   33.041  330.776   7.5724  333.995   7.3002 -3.219330 10.51830 
1 1 1  -37    3    7 f  245.171   4.7869  409.752   15.889  401.436   22.838  417.553   22.119  242.725   6.9432  247.617   6.5917 -4.892838 9.573895 
1 1 1  -37    3    8 o  249.171   4.8172  421.861   16.241  442.181   23.779  404.091   22.236  254.766   6.8875  243.575   6.7367 11.19135 9.634390 
1 1 1  -37    3    9 o  175.906   4.7102  209.929   11.198  221.226   16.586  200.464   15.181  180.222   6.7912  171.590   6.5288 8.631454 9.420466 
1 1 1  -37    3   10 o  200.043   4.7206  272.396   12.771  274.113   18.692  270.893   17.490  200.604   6.8759  199.482   6.4699 1.121277 9.441278 
1 1 1  -37    3   11 f  226.735   4.7729  349.870   14.647  354.386   21.310  345.827   20.165  228.096   6.8943  225.374   6.6024 2.722229 9.545867 
1 1 1  -37    3   12 o  185.320   4.7537  233.539   11.915  238.855   17.475  228.919   16.290  187.266   6.8860  183.374   6.5553 3.891342 9.507331 
1 1 1  -37    3   13 o  189.646   4.7793  244.414   12.264  253.491   17.957  236.479   16.789  192.924   6.8686  186.369   6.6475 6.555573 9.558610 
1 1 1  -37    3   14 o  207.556   5.2838  289.469   13.083  284.922   15.186  302.566   25.771  204.729   5.4737  210.384   9.0395 -5.654495 10.56757 
1 1 1  -37    3   15 o  231.475   5.4235  366.973   14.941  368.768   17.407  361.949   29.117  232.909   5.5153  230.041   9.3403 2.867889 10.84705 
1 1 1  -37    3   16 o  175.456   5.3996  213.720   11.252  218.046   13.147  201.880   21.751  179.107   5.4168  171.805   9.3424 7.301788 10.79914 
1 1 1  -37    3   17 o  282.246   5.6844  545.422   19.092  547.530   22.238  539.511   37.237  283.758   5.7831  280.735   9.7880 3.022705 11.36882 
1 1 1  -37    3   18 o  351.578   6.2468  860.561   26.263  879.648   30.825  810.008   50.166  359.539   6.3266  343.618   10.773 15.92090 12.49360 
1 1 1  -37    3   19 o  360.959   6.3046  895.936   27.214  902.389   31.814  878.339   52.540  364.126   6.4474  357.792   10.836 6.334503 12.60927 
1 1 1  -37    3   20 o  274.678   6.1029  518.763   21.872  528.572   27.593  502.183   35.874  278.503   7.3112  270.853   9.7737 7.650055 12.20570 
1 1 1  -37    3   21 o  178.207   5.9057  220.116   13.791  231.182   17.666  202.849   22.067  184.217   7.0766  172.197   9.4568 12.02051 11.81136 
1 1 1  -37    3   22 o  234.229   5.5069  374.624   15.515  375.159   18.170  373.185   29.812  234.891   5.7083  233.566   9.4190 1.324738 11.01372 
1 1 1  -37    3   23 f  206.865   5.7710  296.468   15.373  307.103   19.178  277.347   25.714  212.383   6.6634  201.348   9.4242 11.03485 11.54196 
1 1 1  -37    3   24 o  199.870   5.7644  278.983   14.906  296.495   18.847  249.737   24.357  208.679   6.6648  191.061   9.4072 17.61835 11.52887 
1 1 1  -37    3   25 o  193.385   5.7824  260.156   14.462  273.156   18.207  237.932   23.806  200.288   6.7082  186.482   9.4203 13.80592 11.56473 
1 1 1  -37    3   26 o  226.495   4.7764  349.544   14.652  339.871   20.857  358.970   20.589  223.376   6.8901  229.614   6.6169 -6.237488 9.552828 
1 1 1  -37    3   27 o  198.913   5.8302  268.257   14.911  264.263   18.324  276.087   25.655  196.968   6.8651  200.859   9.4253 -3.891083 11.66043 
1 1 1  -37    3   28 o  173.383   5.8087  194.194   12.969  172.484   15.695  240.922   23.026  159.072   7.2809  187.694   9.0528 -28.62152 11.61740 
1 1 1  -37    3   29 o  258.130   4.9491  454.013   17.311  454.320   24.601  453.712   24.365  258.210   7.0306  258.050   6.9674 0.1597595 9.898204 
1 1 1  -37    3   30 o  252.724   4.9068  435.207   16.801  434.290   23.987  436.090   23.541  252.448   7.0115  253.000   6.8662 -0.5520935 9.813547 
1 1 1  -37    3   31 o  337.246   5.3718  775.972   24.548  768.177   34.824  783.670   34.609  335.544   7.6585  338.948   7.5347 -3.404358 10.74356 
1 1 1  -37    3   32 o  207.605   4.8784  293.710   13.717  293.647   19.734  293.769   19.079  207.563   7.0159  207.647   6.7804 -0.8351135E-01 9.756878 
1 1 1  -37    3   33 o  130.255   7.6093  116.900   13.339  100.372   18.705  134.003   19.027  120.745   11.432  139.766   10.046 -19.02131 15.21858 
1 1 1  -37    3   34 o  247.043   7.1322  418.904   23.871  410.662   33.891  427.019   33.627  244.588   10.225  249.498   9.9458 -4.910339 14.26437 
1 1 1  -37    3   35 o  412.493   7.3119  1166.06   38.342  1176.41   67.113  1161.04   46.717  412.883   11.995  412.102   8.3655 0.7812500 14.62388 
1 1 1  -37    3   36 o  228.265   4.9265  355.232   15.231  357.418   21.935  353.195   21.165  228.922   7.0707  227.609   6.8619 1.313110 9.852941 
1 1 1  -37    3   37 o  254.450   4.9919  441.654   17.204  441.378   24.723  441.913   23.955  254.345   7.1728  254.554   6.9445 -0.2091675 9.983752 
1 1 1  -37    3   38 o  301.616   5.2283  621.187   21.364  615.752   30.471  626.442   29.962  300.289   7.4881  302.943   7.2984 -2.653961 10.45651 
1 1 1  -37    3   39 o  242.444   4.9903  400.826   16.386  409.234   23.661  393.078   22.714  244.868   7.1304  240.021   6.9834 4.846817 9.980525 
1 1 1  -37    3   40 o  192.285   6.1467  254.948   14.902  248.796   26.275  257.865   18.094  190.164   10.196  194.406   6.8681 -4.241531 12.29333 
1 1 1  -37    3   41 o  333.879   6.6815  760.269   28.286  780.952   49.978  750.521   34.310  336.418   10.963  331.340   7.6412 5.078033 13.36299 
1 1 1  -37    3   42 o  302.948   5.2805  627.360   21.674  626.657   30.944  628.037   30.368  302.754   7.5423  303.141   7.3926 -0.3864441 10.56109 
1 1 1  -37    3   43 o  252.326   5.0727  435.259   17.336  426.158   24.757  444.016   24.283  249.694   7.3165  254.958   7.0284 -5.263702 10.14540 
1 1 1  -37    3   44 o  288.360   5.2326  568.842   20.441  557.701   29.070  579.738   28.748  285.525   7.5131  291.195   7.2853 -5.669434 10.46528 
1 1 1  -37    3   45 o  202.497   5.0410  280.149   13.822  284.971   20.010  275.748   19.116  204.136   7.2335  200.858   7.0231 3.277740 10.08203 
1 1 1  -37    3   46 o  173.569   5.2149  206.428   12.250  197.707   17.496  214.817   17.159  169.915   7.5982  177.223   7.1446 -7.308029 10.42972 
1 1 1  -37    3   47 o  291.093   6.5584  570.151   24.238  546.336   29.246  622.375   43.310  282.374   7.6430  299.813   10.660 -17.43860 13.11677 
1 1 1  -37    3   48 o  241.288   5.1961  398.696   16.989  404.147   24.229  393.425   23.827  242.906   7.3607  239.671   7.3361 3.235153 10.39226 
1 1 1  -37    3   49 o  202.712   6.1203  286.213   16.207  296.617   20.592  269.277   26.272  208.065   7.3031  197.360   9.8232 10.70506 12.24056 
1 1 1  -37    3   50 o   47.464   10.231   15.908   7.2076   19.043   10.600   13.213   9.8293   51.128   14.585   43.799   14.353 7.329006 20.46271 
1 1 1  -37    3   51 o  149.234   5.2945  152.757   10.689  154.537   15.611  151.185   14.668  150.003   7.6796  148.466   7.2904 1.537308 10.58899 
1 1 1  -37    3   52 o  111.984   5.9133   86.720   8.9371   81.873   12.995   91.070   12.310  108.903   8.8058  115.066   7.8947 -6.162941 11.82658 
1 1 1  -37    3   53 o  132.471   5.5462  121.039   9.9322  115.369   14.322  126.293   13.786  129.389   8.1682  135.553   7.5048 -6.164261 11.09241 
1 1 1  -37    3   54 o  166.148   5.2460  189.032   11.784  207.475   17.261  172.935   16.126  173.735   7.3317  158.561   7.5051 15.17346 10.49194 
1 1 1  -37    3   55 o  176.905   5.1728  215.561   12.383  207.100   17.749  223.585   17.284  173.431   7.5520  180.379   7.0711 -6.947876 10.34568 
1 1 1  -37    3   56 o  163.716   6.7243  190.136   13.605  177.267   24.487  195.883   16.363  158.693   11.387  168.739   7.1560 -10.04539 13.44854 
1 1 1  -37    3   57 o  171.328   7.1685  202.126   16.643   0.0000   0.0000  202.126   16.643  ?   ?   171.328   7.1685      ?      ? 
1 1 1  -37    3   58 o  138.298   6.4734  130.827   11.448  140.564   20.079  126.137   13.935  141.459   10.475  135.138   7.6093 6.320877 12.94681 
1 1 1  -37    3   59 o  149.350   5.3537  154.361   10.816  151.141   15.676  157.286   14.941  147.760   7.8288  150.941   7.3047 -3.181534 10.70739 
1 1 1  -37    3   60 o   97.582   6.3154   66.145   8.3324   71.681   12.271   61.409   11.350  101.352   8.9347   93.812   8.9280 7.540367 12.63084 
1 1 1  -37    3   61 o  137.228   5.4102  130.680   10.049  127.191   14.437  133.959   13.996  135.359   7.8706  139.097   7.4253 -3.737915 10.82048 
1 1 1  -37    3   62 o  101.113   6.1209   71.128   8.3430   81.946   12.208   61.648   11.428  108.416   8.3094   93.810   8.9897 14.60575 12.24181 
1 1 1  -37    3   63 o   70.049   10.019   44.502   8.8500   57.126   10.741   17.811   15.618   90.290   8.7784   49.807   18.014 40.48248 20.03879 
1 1 1  -37    3   64 o   78.048   6.9172   43.126   7.3108   45.280   10.409   41.030   10.270   80.034   9.5976   76.063   9.9638 3.971428 13.83444 
1 1 1  -37    3   65 o   72.770   7.2329   37.770   7.1141   41.105   10.129   34.522   9.9945   76.083   9.8239   69.458   10.618 6.625099 14.46572 
1 1 1  -37    3   66 o  109.677   6.7505   85.213   9.7117   84.618   12.284   86.204   15.859  109.801   8.2560  109.553   10.682 0.2475586 13.50101 
1 1 1  -37    3   67 o  118.402   6.5672  100.577   10.140  103.825   12.864   95.247   16.480  121.751   7.7967  115.052   10.570 6.698891 13.13431 
1 1 1  -37    3   68 o   98.506   7.0852   69.719   9.1476   70.155   11.604   69.004   14.867   99.632   8.5946   97.379   11.266 2.253265 14.17040 
1 1 1  -37    3   69 o  109.929   6.7824   86.686   9.7546   87.378   12.347   85.536   15.911  111.308   8.1858  108.549   10.817 2.758125 13.56483 
1 1 1  -37    3   70 o   74.892   8.6930   43.109   8.1726   46.185   10.384   38.102   13.248   80.266   9.5467   69.519   14.530 10.74681 17.38591 
1 1 1  -37    3   71 o   38.851   10.411   9.4009   7.7235   4.9092   10.834   14.043   11.014   34.476   14.251   43.226   15.182 -8.749756 20.82252 
1 1 1  -37    3   72 o   64.924   14.941   33.916   12.872   0.0000   0.0000   33.916   12.872  ?   ?    64.924   14.941      ?      ? 
1 1 1  -37    3   73 o  133.339   10.247  129.486   18.516   0.0000   0.0000  129.486   18.516  ?   ?   133.339   10.247      ?      ? 
1 1 1  -37    3   74 f   91.324   11.959   62.476   14.800   0.0000   0.0000   62.476   14.800  ?   ?    91.324   11.959      ?      ? 
1 1 1  -37    3   75 o   41.532   15.346   12.719   11.425   0.0000   0.0000   12.719   11.425  ?   ?    41.532   15.346      ?      ? 
1 1 1  -37    3   76 f   51.162   15.372   21.737   11.518   0.0000   0.0000   21.737   11.518  ?   ?    51.162   15.372      ?      ? 
1 1 1  -37    4    1 o  305.238   6.8953  635.552   28.521   0.0000   0.0000  635.552   28.521  ?   ?   305.238   6.8953      ?      ? 
1 1 1  -37    4    2 o  256.723   4.7652  447.973   16.532  467.376   24.488  431.722   22.411  261.776   6.9030  251.671   6.5711 10.10551 9.530487 
1 1 1  -37    4    3 o  231.486   4.6770  365.952   14.635  352.342   21.204  378.334   20.226  227.311   6.8837  235.661   6.3333 -8.350433 9.353948 
1 1 1  -37    4    4 o  160.592   4.6213  175.282   10.021  180.808   14.906  170.725   13.536  162.865   6.7540  158.319   6.3093 4.545563 9.242553 
1 1 1  -37    4    5 o  225.502   4.6772  346.328   14.260  349.035   20.923  343.979   19.487  226.284   6.8231  224.720   6.3992 1.563889 9.354390 
1 1 1  -37    4    6 o  240.262   4.7474  392.756   15.421  402.063   22.700  384.779   21.016  242.863   6.8973  237.661   6.5254 5.202408 9.494877 
1 1 1  -37    4    7 o  319.793   6.3478  694.048   26.077  681.778   31.997  718.318   45.000  316.109   7.4694  323.476   10.266 -7.367035 12.69555 
1 1 1  -37    4    8 o  262.710   5.9471  465.713   20.126  452.909   24.714  490.925   34.680  257.748   7.0755  267.672   9.5607 -9.923859 11.89414 
1 1 1  -37    4    9 o  186.507   5.7911  239.425   13.999  244.052   17.514  231.239   23.295  189.251   6.8290  183.764   9.3547 5.487564 11.58211 
1 1 1  -37    4   10 o  164.828   4.7516  183.648   10.569  201.288   15.859  169.556   14.175  171.881   6.8087  157.775   6.6297 14.10597 9.503255 
1 1 1  -37    4   11 o  239.316   4.8242  390.685   15.616  381.001   22.618  399.506   21.587  236.432   7.0594  242.200   6.5770 -5.767365 9.648452 
1 1 1  -37    4   12 o  160.869   5.8238  180.589   12.277  194.548   15.865  159.755   19.382  168.972   6.9287  152.766   9.3626 16.20679 11.64754 
1 1 1  -37    4   13 f  135.267   5.2390  119.517   8.6157  113.377   10.035  136.736   16.805  129.108   5.7355  141.425   8.7687 -12.31659 10.47791 
1 1 1  -37    4   14 o  168.750   5.3061  195.175   10.800  196.355   12.683  192.063   20.598  169.935   5.5075  167.566   9.0712 2.369461 10.61223 
1 1 1  -37    4   15 o  150.152   5.7962  161.286   11.065  180.097   13.983  129.770   18.099  162.657   6.3435  137.647   9.7028 25.00934 11.59242 
1 1 1  -37    4   16 o  278.500   5.9448  535.916   21.379  550.982   26.696  508.975   35.698  284.380   6.9273  272.619   9.6630 11.76105 11.88952 
1 1 1  -37    4   17 o  230.909   5.7670  372.966   17.192  397.047   21.698  332.351   28.180  241.464   6.6312  220.353   9.4371 21.11186 11.53391 
1 1 1  -37    4   18 o  234.092   5.7417  381.299   17.349  399.799   21.781  349.195   28.693  242.300   6.6336  225.884   9.3735 16.41618 11.48332 
1 1 1  -37    4   19 f  246.539   5.4329  409.473   16.121  403.540   18.812  425.876   31.278  243.591   5.6990  249.488   9.2514 -5.896805 10.86586 
1 1 1  -37    4   20 o  232.458   5.4447  372.739   15.256  377.814   17.946  359.509   28.974  235.710   5.6182  229.205   9.3283 6.505219 10.88950 
1 1 1  -37    4   21 o  274.916   5.6597  523.904   18.772  534.003   22.127  497.969   35.458  280.189   5.8277  269.643   9.7038 10.54562 11.31932 
1 1 1  -37    4   22 o  146.238   5.8498  145.562   11.376  143.577   14.688  148.537   17.983  145.102   7.4696  147.374   9.0046 -2.271713 11.69951 
1 1 1  -37    4   23 o  178.966   5.8147  221.686   13.713  232.912   17.723  204.940   21.647  184.869   7.0746  173.063   9.2300 11.80600 11.62940 
1 1 1  -37    4   24 o  141.432   5.5623  136.072   9.6536  135.476   11.432  137.555   18.022  141.108   5.9784  141.757   9.3817 -0.6491699 11.12464 
1 1 1  -37    4   25 o  162.264   5.4526  182.003   10.821  185.260   12.860  174.103   20.027  165.033   5.7504  159.495   9.2659 5.538742 10.90524 
1 1 1  -37    4   26 o  233.527   4.7874  371.228   15.142  380.378   21.847  362.768   21.007  236.285   6.8229  230.770   6.7175 5.515091 9.574821 
1 1 1  -37    4   27 o  165.884   4.7344  186.970   10.628  196.970   15.534  178.170   14.573  170.037   6.7415  161.731   6.6491 8.306366 9.468818 
1 1 1  -37    4   28 o  195.925   4.7379  261.149   12.567  269.288   18.279  253.854   17.305  198.802   6.7849  193.048   6.6147 5.754318 9.475772 
1 1 1  -37    4   29 f  263.723   7.0409  476.742   25.155  462.006   35.141  492.228   36.026  259.535   9.9917  267.911   9.9229 -8.376587 14.08180 
1 1 1  -37    4   30 o  303.106   7.3588  630.359   30.212  656.431   43.439  605.930   42.047  309.187   10.368  297.026   10.446 12.16122 14.71764 
1 1 1  -37    4   31 o  238.891   5.9587  386.545   17.991  400.239   32.061  380.252   21.735  241.575   9.7936  236.206   6.7903 5.369507 11.91730 
1 1 1  -37    4   32 o  220.209   4.8353  330.515   14.410  331.360   20.933  329.753   19.867  220.443   7.0074  219.975   6.6647 0.4688568 9.670606 
1 1 1  -37    4   33 o  153.837   4.9546  161.180   10.307  164.549   15.141  158.270   14.071  155.307   7.1941  152.368   6.8146 2.938690 9.909272 
1 1 1  -37    4   34 o  243.158   4.9241  403.474   16.215  395.194   23.203  411.375   22.668  240.685   7.1141  245.632   6.8100 -4.947876 9.848151 
1 1 1  -37    4   35 o  265.259   5.0242  479.856   18.050  486.651   26.032  473.565   25.050  267.044   7.1934  263.474   7.0161 3.569244 10.04842 
1 1 1  -37    4   36 o  303.832   5.2191  630.307   21.482  631.245   30.770  629.415   30.006  304.025   7.4685  303.639   7.2924 0.3854675 10.43823 
1 1 1  -37    4   37 o  214.479   4.8961  313.668   14.222  319.412   20.540  308.378   19.711  216.346   7.0060  212.611   6.8414 3.734589 9.792287 
1 1 1  -37    4   38 o  143.887   6.4099  144.198   11.672  135.688   20.233  148.443   14.289  140.325   10.640  147.449   7.1514 -7.124191 12.81987 
1 1 1  -37    4   39 o  100.087   8.6168   69.548   11.665   65.217   16.593   73.778   16.401   96.918   12.634  103.257   11.721 -6.338326 17.23365 
1 1 1  -37    4   40 o  143.830   5.2052  141.548   10.126  138.341   14.683  144.456   13.983  142.231   7.6181  145.429   7.0951 -3.198135 10.41035 
1 1 1  -37    4   41 o  119.249   6.7348   94.979   10.118  105.472   18.416   90.443   12.109  123.536   11.001  114.962   7.7726 8.574303 13.46965 
1 1 1  -37    4   42 o  143.147   6.3586  134.839   11.427  156.563   21.128  125.858   13.585  150.636   10.350  135.658   7.3897 14.97740 12.71729 
1 1 1  -37    4   43 o  228.994   5.0080  358.397   15.529  360.113   22.429  356.817   21.521  229.483   7.2123  228.505   6.9501 0.9778137 10.01605 
1 1 1  -37    4   44 o  192.010   5.0154  252.091   13.034  252.656   18.911  251.579   17.989  192.173   7.2619  191.848   6.9195 0.3247986 10.03070 
1 1 1  -37    4   45 o  151.176   5.2464  157.109   10.704  144.910   15.408  168.488   14.881  145.394   7.8200  156.958   6.9960 -11.56438 10.49271 
1 1 1  -37    4   46 o  165.630   9.5452  189.257   21.424   0.0000   0.0000  189.257   21.424  ?   ?   165.630   9.5452      ?      ? 
1 1 1  -37    4   47 o  202.464   7.3512  280.866   20.169  280.866   20.169   0.0000   0.0000  202.464   7.3512  ?   ?       ?      ? 
1 1 1  -37    4   48 f  197.501   6.3786  267.590   16.078  264.884   19.640  273.089   27.996  196.564   7.3731  198.438   10.411 -1.874298 12.75724 
1 1 1  -37    4   49 o  202.739   5.0712  281.811   13.926  279.691   19.959  283.822   19.440  201.956   7.2929  203.522   7.0485 -1.565994 10.14238 
1 1 1  -37    4   50 o  148.273   5.3610  151.008   10.764  150.778   15.515  151.221   14.946  148.125   7.7292  148.422   7.4312 -0.2963867 10.72207 
1 1 1  -37    4   51 o  168.785   5.1753  195.451   11.829  199.595   17.112  191.658   16.371  170.470   7.4075  167.100   7.2295 3.370148 10.35068 
1 1 1  -37    4   52 o  192.414   5.1024  253.877   13.283  261.052   19.443  247.597   18.190  194.906   7.3613  189.921   7.0676 4.985245 10.20489 
1 1 1  -37    4   53 o  174.514   5.2169  209.686   12.304  205.899   17.980  213.020   16.873  172.925   7.6728  176.102   7.0704 -3.176987 10.43372 
1 1 1  -37    4   54 o   86.661   8.3456   48.233   9.0402   65.766   17.266   41.611   10.611   96.100   13.258   77.223   10.140 18.87663 16.69117 
1 1 1  -37    4   55 o   79.197   9.9864   50.758   8.9933   35.400   16.801   56.927   10.647   67.769   17.993   90.625   8.6697 -22.85617 19.97283 
1 1 1  -37    4   56 o   82.771   9.3507   47.730   10.488   0.0000   0.0000   47.730   10.488  ?   ?    82.771   9.3507      ?      ? 
1 1 1  -37    4   57 f   95.549   6.3900   63.352   8.2471   66.294   12.263   60.922   11.144   97.496   9.2814   93.602   8.7855 3.894608 12.78008 
1 1 1  -37    4   58 o  110.011   7.0348   79.065   9.8561  102.618   18.015   69.003   11.775  120.459   11.036   99.563   8.7270 20.89605 14.06962 
1 1 1  -37    4   59 o   91.634   6.4583   58.876   7.9881   55.980   11.630   61.461   10.991   89.345   9.6057   93.922   8.6353 -4.577133 12.91651 
1 1 1  -37    4   60 o  105.313   5.9404   77.425   8.4515   74.954   12.320   79.621   11.615  103.591   8.7763  107.036   8.0080 -3.445129 11.88075 
1 1 1  -37    4   61 o   85.393   6.8453   51.929   7.8176   43.871   11.274   59.392   10.850   78.624   10.581   92.163   8.6870 -13.53899 13.69057 
1 1 1  -37    4   62 o  137.230   5.3634  130.651   9.9647  136.684   14.473  125.214   13.740  140.222   7.6165  134.238   7.5533 5.983871 10.72672 
1 1 1  -37    4   63 f   79.942   9.4163   44.484   9.0796   40.371   10.667   55.299   17.298   75.266   10.459   84.618   15.662 -9.352661 18.83267 
1 1 1  -37    4   64 o  103.131   8.1868   77.532   10.168   78.433   11.995   75.233   19.168  105.752   8.3702  100.510   14.073 5.241974 16.37369 
1 1 1  -37    4   65 o  102.788   7.1236   77.831   9.4231   85.202   12.014   66.045   15.191  110.270   8.0397   95.307   11.762 14.96276 14.24713 
1 1 1  -37    4   66 f   44.452   10.255   14.185   7.0246   10.984   9.0132   19.137   11.211   39.404   13.740   49.501   15.228 -10.09714 20.51037 
1 1 1  -37    4   67 o  144.428   6.3369  150.725   11.903  159.513   15.170  136.646   19.201  151.032   7.4120  137.824   10.281 13.20830 12.67384 
1 1 1  -37    4   68 o   95.389   7.2678   65.816   9.0983   66.477   11.579   64.748   14.709   96.775   8.8295   94.004   11.547 2.771172 14.53554 
1 1 1  -37    4   69 f   80.711   8.5541   50.435   8.5269   55.365   10.788   42.229   13.920   88.135   9.0325   73.286   14.529 14.84886 17.10815 
1 1 1  -37    4   70 o   85.818   7.6437   51.873   8.6989   44.949   11.002   63.421   14.209   78.725   10.312   92.910   11.285 -14.18520 15.28749 
1 1 1  -37    4   71 o   71.130   10.979   41.644   10.353   34.798   16.121   46.451   13.507   63.691   17.923   78.570   12.686 -14.87919 21.95799 
1 1 1  -37    4   72 o   33.959   14.238   4.2152   11.038   0.0000   0.0000   4.2152   11.038  ?   ?    33.959   14.238      ?      ? 
1 1 1  -37    4   73 o   82.505   12.346   51.300   13.804   0.0000   0.0000   51.300   13.804  ?   ?    82.505   12.346      ?      ? 
1 1 1  -37    4   74 o   63.176   14.938   32.591   12.588   0.0000   0.0000   32.591   12.588  ?   ?    63.176   14.938      ?      ? 
1 1 1  -37    4   75 o   85.116   12.444   55.076   14.353   0.0000   0.0000   55.076   14.353  ?   ?    85.116   12.444      ?      ? 
1 1 1  -37    4   76 o  110.571   11.008   91.047   16.494   0.0000   0.0000   91.047   16.494  ?   ?   110.571   11.008      ?      ? 
1 1 1  -37    5    1 o  178.226   5.6649  219.335   12.270  212.917   23.024  221.881   14.501  175.988   9.6541  180.464   5.9297 -4.476578 11.32973 
1 1 1  -37    5    2 o  117.468   6.1435   96.027   8.6101   91.453   16.547   97.726   10.083  115.194   10.600  119.743   6.2135 -4.549835 12.28694 
1 1 1  -37    5    3 o  130.267   6.6161  116.940   11.550  113.166   17.531  119.835   15.353  128.267   10.086  132.268   8.5656 -4.000763 13.23211 
1 1 1  -37    5    4 o  165.913   6.4332  188.880   14.334  187.894   21.742  189.639   19.064  165.395   9.7003  166.432   8.4527 -1.037247 12.86641 
1 1 1  -37    5    5 o   60.374   9.8925   26.242   7.8379   26.887   12.259   25.797   10.193   60.855   14.969   59.892   12.937 0.9625854 19.78501 
1 1 1  -37    5    6 o  154.030   5.9087  167.492   11.080  150.221   20.287  174.834   13.227  147.842   10.126  160.218   6.0919 -12.37659 11.81736 
1 1 1  -37    5    7 o  312.962   6.2851  665.899   24.664  683.969   44.504  657.888   29.631  315.378   10.413  310.546   7.0411 4.832001 12.57028 
1 1 1  -37    5    8 o  287.694   5.0025  563.965   19.458  573.711   28.605  555.571   26.546  289.948   7.2802  285.440   6.8629 4.507660 10.00501 
1 1 1  -37    5    9 o  182.402   4.6873  226.124   11.548  234.140   17.155  219.482   15.616  185.317   6.8313  179.488   6.4201 5.829559 9.374633 
1 1 1  -37    5   10 o  135.493   4.8964  125.064   8.9368  126.179   13.416  124.175   11.982  135.991   7.2801  134.996   6.5498 0.9951630 9.792849 
1 1 1  -37    5   11 o  206.264   5.4151  289.369   15.136  289.369   15.136   0.0000   0.0000  206.264   5.4151  ?   ?       ?      ? 
1 1 1  -37    5   12 o  285.828   5.7572  555.917   22.300  555.917   22.300   0.0000   0.0000  285.828   5.7572  ?   ?       ?      ? 
1 1 1  -37    5   13 o  263.386   5.5465  488.754   17.626  508.556   20.901  440.006   32.794  273.410   5.6412  253.363   9.5515 20.04709 11.09296 
1 1 1  -37    5   14 o  267.992   5.4997  493.857   17.764  498.136   20.867  482.597   33.853  270.588   5.6908  265.396   9.4129 5.192535 10.99944 
1 1 1  -37    5   15 o  280.015   5.5502  533.755   18.690  531.842   21.860  538.954   36.041  279.581   5.7697  280.450   9.4832 -0.8692017 11.10045 
1 1 1  -37    5   16 o  218.731   5.2344  325.911   13.871  325.314   16.300  327.478   26.407  218.702   5.5000  218.759   8.9078 -0.5644226E-01 10.46889 
1 1 1  -37    5   17 o  172.783   5.2132  206.179   10.998  209.618   13.052  197.755   20.426  175.559   5.4861  170.006   8.8662 5.552597 10.42630 
1 1 1  -37    5   18 o  131.825   5.4611  119.915   8.8281  121.731   10.502  115.543   16.297  133.757   5.7941  129.893   9.2587 3.864151 10.92226 
1 1 1  -37    5   19 o  137.074   5.4194  128.770   9.1545  129.524   10.901  126.965   16.862  137.968   5.8304  136.180   9.1371 1.787933 10.83884 
1 1 1  -37    5   20 o  161.433   5.3521  182.539   10.592  189.449   12.677  166.565   19.276  166.885   5.6054  155.980   9.1191 10.90480 10.70417 
1 1 1  -37    5   21 o  219.510   5.3832  337.612   14.428  350.079   17.219  308.223   26.436  226.858   5.6009  212.162   9.1947 14.69656 10.76632 
1 1 1  -37    5   22 o  270.798   5.5366  497.625   18.179  493.833   21.344  507.640   34.688  269.390   5.8468  272.206   9.4038 -2.815887 11.07325 
1 1 1  -37    5   23 o  267.536   5.9812  495.865   20.941  516.541   26.707  462.857   33.744  275.214   7.1609  259.859   9.5823 15.35553 11.96241 
1 1 1  -37    5   24 o  269.072   7.2012  493.916   25.975  517.833   40.154  476.706   34.062  274.419   10.798  263.724   9.5309 10.69589 14.40243 
1 1 1  -37    5   25 o  277.255   7.2830  530.539   27.165  502.750   40.278  553.724   36.791  270.302   10.996  284.208   9.5526 -13.90646 14.56593 
1 1 1  -37    5   26 o  205.643   5.7883  291.462   15.684  300.098   20.139  278.151   25.003  209.770   7.0845  201.517   9.1557 8.253494 11.57660 
1 1 1  -37    5   27 o  138.190   5.5690  129.478   9.6319  127.943   11.553  132.979   17.443  137.066   6.2199  139.313   9.2396 -2.247177 11.13807 
1 1 1  -37    5   28 o  193.469   4.7643  255.286   12.475  252.209   18.042  258.104   17.268  192.319   6.9228  194.618   6.5475 -2.299469 9.528598 
1 1 1  -37    5   29 o  283.913   5.0459  550.066   19.406  543.891   27.735  555.988   27.162  282.320   7.2496  285.505   7.0205 -3.184906 10.09175 
1 1 1  -37    5   30 o  305.946   5.1607  637.783   21.374  662.111   31.113  616.041   29.413  311.439   7.3720  300.453   7.2240 10.98608 10.32142 
1 1 1  -37    5   31 o  159.992   5.9889  170.569   12.384  160.645   15.172  190.387   21.440  153.407   7.2980  166.578   9.4978 -13.17152 11.97781 
1 1 1  -37    5   32 o   67.585   8.9058   30.028   7.7805   22.857   9.6929   43.017   13.046   56.325   12.967   78.844   12.211 -22.51915 17.81153 
1 1 1  -37    5   33 o  164.710   4.8637  184.224   10.831  199.659   15.966  171.068   14.740  171.069   6.8874  158.350   6.8692 12.71828 9.727382 
1 1 1  -37    5   34 o  130.441   5.1891  116.485   9.1446  111.939   13.299  120.563   12.595  127.973   7.6685  132.909   6.9929 -4.935745 10.37816 
1 1 1  -37    5   35 o  128.936   5.2323  113.068   9.1213  122.721   13.430  104.802   12.428  134.022   7.3945  123.850   7.4047 10.17186 10.46458 
1 1 1  -37    5   36 o  193.518   4.8872  255.071   12.794  265.042   18.770  246.416   17.487  197.018   7.0302  190.018   6.7909 6.999908 9.774475 
1 1 1  -37    5   37 o  217.597   4.9248  323.225   14.504  325.260   21.072  321.393   19.994  218.208   7.1259  216.986   6.7996 1.222366 9.849568 
1 1 1  -37    5   38 o  303.865   5.2420  631.661   21.572  609.521   30.613  653.499   30.404  298.515   7.5677  309.214   7.2558 -10.69913 10.48407 
1 1 1  -37    5   39 o  119.167   5.5097   97.999   8.8209   88.870   12.940  105.924   12.056  113.843   8.3876  124.490   7.1466 -10.64672 11.01930 
1 1 1  -37    5   40 o   87.873   6.4110   52.335   7.5806   60.613   11.535   46.042   10.057   93.904   9.0649   81.842   9.0681 12.06200 12.82201 
1 1 1  -37    5   41 o  210.031   4.9362  301.918   14.028  293.031   20.210  310.182   19.488  206.984   7.2051  213.077   6.7491 -6.093567 9.872334 
1 1 1  -37    5   42 f  213.440   6.0809  307.579   16.383  327.890   29.450  298.477   19.715  217.949   9.9712  208.931   6.9632 9.018188 12.16189 
1 1 1  -37    5   43 o  242.952   7.0276  407.710   23.092  406.844   33.697  408.477   31.707  242.561   10.252  243.342   9.6152 -0.7812195 14.05520 
1 1 1  -37    5   44 o  147.525   10.696  150.889   21.384  150.889   21.384   0.0000   0.0000  147.525   10.696  ?   ?       ?      ? 
1 1 1  -37    5   45 f   71.620   11.500   38.570   11.270   48.944   15.292   26.238   16.674   83.395   13.532   59.844   18.597 23.55056 22.99931 
1 1 1  -37    5   46 o  143.268   5.3834  140.736   10.445  143.772   15.103  137.954   14.461  144.727   7.7005  141.809   7.5250 2.917603 10.76678 
1 1 1  -37    5   47 o  119.532   5.7383   98.939   9.2289   88.763   13.356  108.238   12.767  113.480   8.6851  125.583   7.5020 -12.10324 11.47657 
1 1 1  -37    5   48 o   81.884   9.6992   51.078   9.4478   55.971   11.489   40.858   16.605   89.936   9.4267   73.832   16.954 16.10440 19.39841 
1 1 1  -37    5   49 o   72.359   9.8925   36.469   8.9579   33.848   10.841   42.109   15.904   69.537   11.505   75.181   16.096 -5.643913 19.78494 
1 1 1  -37    5   50 o  115.759   5.6912   92.508   8.9028   89.594   12.956   95.116   12.254  113.944   8.3907  117.573   7.6912 -3.629150 11.38232 
1 1 1  -37    5   51 o  103.076   7.7649   76.432   9.7585   69.349   17.805   79.473   11.667   98.796   13.299  107.357   8.0194 -8.560730 15.52981 
1 1 1  -37    5   52 o  121.344   7.1729  102.579   10.727  103.065   19.786  102.377   12.766  120.813   12.085  121.874   7.7294 -1.061020 14.34571 
1 1 1  -37    5   53 o  143.085   5.3634  141.417   10.364  137.290   15.160  145.039   14.202  141.006   7.9338  145.165   7.2192 -4.158997 10.72672 
1 1 1  -37    5   54 o  187.270   5.1368  241.389   13.015  245.615   19.020  237.668   17.848  188.736   7.4366  185.805   7.0883 2.931335 10.27366 
1 1 1  -37    5   55 o  187.756   5.1472  242.426   13.075  255.109   19.172  231.398   17.878  192.299   7.3571  183.214   7.2007 9.085739 10.29445 
1 1 1  -37    5   56 o  182.881   5.1336  231.164   12.702  222.963   18.272  238.832   17.669  179.622   7.5066  186.139   7.0047 -6.517334 10.26720 
1 1 1  -37    5   57 o   96.877   6.4490   66.171   8.3793   57.782   12.149   73.782   11.572   90.712   9.8834  103.042   8.2872 -12.33056 12.89805 
1 1 1  -37    5   58 o  100.937   7.4526   71.732   9.5467   72.912   16.739   71.164   11.622  100.808   12.254  101.065   8.4859 -0.2578049 14.90510 
1 1 1  -37    5   59 o  137.761   5.4606  131.898   10.176  129.095   14.737  134.452   14.069  136.248   7.9819  139.275   7.4541 -3.027237 10.92129 
1 1 1  -37    5   60 o  120.630   5.6324  101.496   9.1890   97.653   13.247  105.061   12.757  118.301   8.2630  122.959   7.6564 -4.657074 11.26484 
1 1 1  -37    5   61 o   65.389   8.4511   33.129   7.0703   18.394   10.192   46.800   9.8166   49.137   14.386   81.642   8.8729 -32.50500 16.90222 
1 1 1  -37    5   62 o   96.914   6.2877   66.446   8.1980   62.150   12.077   70.117   11.164   93.736   9.5077  100.092   8.2307 -6.356300 12.57543 
1 1 1  -37    5   63 o   61.660   9.9173   27.525   8.1394   18.306   10.407   42.047   13.061   48.768   14.604   74.553   13.422 -25.78458 19.83470 
1 1 1  -37    5   64 o   59.548   12.944   27.016   10.147   27.016   10.147   0.0000   0.0000   59.548   12.944  ?   ?       ?      ? 
1 1 1  -37    5   65 o   72.764   8.4915   37.168   7.9324   26.480   10.096   54.409   12.823   58.795   13.015   86.733   10.910 -27.93840 16.98310 
1 1 1  -37    5   66 o   94.973   7.2175   63.369   9.1057   57.615   11.588   72.657   14.722   89.830   9.5193  100.116   10.851 -10.28528 14.43508 
1 1 1  -37    5   67 o   56.369   10.057   24.441   7.6088   20.901   9.8889   29.579   11.912   51.616   13.850   61.123   14.585 -9.507065 20.11304 
1 1 1  -37    5   68 o   76.463   8.0667   41.756   8.2253   36.480   10.546   49.951   13.143   70.668   11.012   82.258   11.791 -11.58943 16.13338 
1 1 1  -37    5   69 o   72.066   10.947   40.759   10.192   48.083   16.371   36.124   13.023   76.782   16.241   67.350   14.684 9.431526 21.89477 
1 1 1  -37    5   70 o   83.922   9.9136   54.766   10.743   54.111   16.913   55.210   13.910   81.714   15.846   86.130   11.918 -4.415733 19.82729 
1 1 1  -37    5   71 o   58.631   11.445   25.208   9.7281   45.931   16.229   13.586   12.154   74.369   16.532   42.893   15.832 31.47578 22.88982 
1 1 1  -37    5   72 o   55.127   15.540   25.141   12.109   0.0000   0.0000   25.141   12.109  ?   ?    55.127   15.540      ?      ? 
1 1 1  -37    5   73 o  106.870   11.190   84.808   16.205   0.0000   0.0000   84.808   16.205  ?   ?   106.870   11.190      ?      ? 
1 1 1  -37    5   74 o   67.749   15.038   37.616   13.446   0.0000   0.0000   37.616   13.446  ?   ?    67.749   15.038      ?      ? 
1 1 1  -37    5   75 o   68.793   15.285   39.182   13.879   0.0000   0.0000   39.182   13.879  ?   ?    68.793   15.285      ?      ? 
1 1 1  -37    5   76 o   48.877   16.251   20.280   12.584   0.0000   0.0000   20.280   12.584  ?   ?    48.877   16.251      ?      ? 
1 1 1  -37    6    1 o  154.322   4.4951  164.204   9.2521  151.630   14.079  173.762   12.274  148.956   6.9749  159.687   5.6721 -10.73085 8.990147 
1 1 1  -37    6    2 o  139.767   4.5770  132.635   8.5331  137.105   13.395  129.583   11.070  141.657   6.9781  137.876   5.9246 3.780457 9.153940 
1 1 1  -37    6    3 o  209.330   4.5456  298.503   12.790  302.577   19.418  295.380   16.998  210.503   6.8072  208.158   6.0261 2.344528 9.091284 
1 1 1  -37    6    4 o  155.867   4.5308  164.827   9.4653  171.627   14.627  159.928   12.415  158.551   6.8076  153.184   5.9809 5.367523 9.061687 
1 1 1  -37    6    5 o   69.568   6.0985   32.382   5.6222   36.964   9.1637   29.615   7.1196   73.361   9.2176   65.775   7.9875 7.585930 12.19692 
1 1 1  -37    6    6 o   97.194   5.3053   64.821   6.8420   63.333   10.767   65.829   8.8610   96.164   8.2626   98.224   6.6571 -2.060600 10.61067 
1 1 1  -37    6    7 o  183.040   5.4978  232.009   13.363  245.956   17.571  212.876   20.580  189.840   6.8300  176.239   8.6171 13.60101 10.99561 
1 1 1  -37    6    8 f  219.988   5.5451  331.480   16.148  333.363   20.766  328.599   25.683  221.002   6.9339  218.974   8.6553 2.028839 11.09018 
1 1 1  -37    6    9 o  318.095   5.1638  688.336   22.182  722.667   33.055  660.213   29.918  325.212   7.5005  310.977   7.0994 14.23465 10.32759 
1 1 1  -37    6   10 o  203.098   5.1352  286.453   12.771  293.217   15.213  270.313   23.500  207.577   5.4082  198.618   8.7311 8.959000 10.27036 
1 1 1  -37    6   11 o  173.191   5.0505  206.350   10.707  208.540   12.708  200.989   19.881  175.068   5.3564  171.313   8.5639 3.755219 10.10107 
1 1 1  -37    6   12 o  106.982   5.3686   76.632   7.1628   74.303   8.5307   82.200   13.188  104.445   6.0272  109.519   8.8859 -5.074127 10.73713 
1 1 1  -37    6   13 o   74.656   7.7622   42.342   6.9749   51.657   8.9618   28.030   11.108   86.955   7.6054   62.358   13.534 24.59645 15.52438 
1 1 1  -37    6   14 o  127.329   6.8947  110.595   11.897  110.595   11.897   0.0000   0.0000  127.329   6.8947  ?   ?       ?      ? 
1 1 1  -37    6   15 o  384.591   8.0139  1011.31   41.766  1011.31   41.766   0.0000   0.0000  384.591   8.0139  ?   ?       ?      ? 
1 1 1  -37    6   16 o  304.795   6.1137  641.831   24.244  657.622   30.524  614.847   39.901  310.388   7.2569  299.201   9.8410 11.18768 12.22733 
1 1 1  -37    6   17 o  115.528   5.8058   90.439   8.8453   87.719   11.204   94.939   14.411  113.358   7.2936  117.698   9.0352 -4.339928 11.61167 
1 1 1  -37    6   18 o  133.122   5.7132  121.687   10.023  123.444   12.818  118.922   16.078  134.511   7.0319  131.734   9.0064 2.777390 11.42644 
1 1 1  -37    6   19 o  133.734   5.3865  123.501   8.9489  125.594   10.751  118.778   16.149  135.822   5.8409  131.646   9.0521 4.175842 10.77298 
1 1 1  -37    6   20 o  110.690   5.5550   81.290   7.7864   77.170   9.3533   90.592   14.053  106.406   6.4865  114.974   9.0199 -8.567955 11.11006 
1 1 1  -37    6   21 o  312.797   5.8183  667.928   21.967  666.315   25.757  672.231   42.068  312.778   6.0769  312.816   9.9238 -0.3802490E-01 11.63654 
1 1 1  -37    6   22 o  378.461   6.3940  990.332   29.143  1000.88   34.246  962.643   55.492  383.160   6.5955  373.763   10.956 9.397675 12.78804 
1 1 1  -37    6   23 o  124.594   5.5582  106.703   8.6600  107.678   10.435  104.545   15.521  125.728   6.1249  123.461   9.2769 2.266945 11.11643 
1 1 1  -37    6   24 o   90.854   6.3755   58.508   7.2526   62.133   8.8836   51.265   12.559   95.437   6.8689   86.271   10.743 9.166183 12.75093 
1 1 1  -37    6   25 o  107.553   5.7872   77.659   8.0040   74.617   9.7852   83.808   13.914  104.580   6.9046  110.527   9.2895 -5.947113 11.57445 
1 1 1  -37    6   26 o  170.916   5.7977  202.001   13.181  212.637   17.352  187.492   20.267  176.472   7.2560  165.360   9.0445 11.11201 11.59540 
1 1 1  -37    6   27 o  207.232   5.4401  301.255   13.884  313.101   16.678  274.524   25.055  214.441   5.7394  200.024   9.2432 14.41768 10.88015 
1 1 1  -37    6   28 o  305.022   6.1726  634.006   25.514  634.006   25.514   0.0000   0.0000  305.022   6.1726  ?   ?       ?      ? 
1 1 1  -37    6   29 o  222.145   5.4567  341.613   14.954  347.874   17.881  327.045   27.275  226.000   5.8384  218.289   9.2205 7.711609 10.91345 
1 1 1  -37    6   30 o  171.334   5.7808  204.609   12.981  217.313   16.699  185.206   20.637  178.430   6.9062  164.239   9.2723 14.19081 11.56161 
1 1 1  -37    6   31 o  101.543   5.6343   70.461   7.7256   71.752   11.462   69.386   10.458  102.356   8.2633  100.729   7.6617 1.626274 11.26870 
1 1 1  -37    6   32 o   86.042   7.4982   50.323   8.3877   48.505   10.397   53.711   14.194   84.047   9.1287   88.036   11.898 -3.989166 14.99636 
1 1 1  -37    6   33 o  159.306   6.0355  171.945   12.419  167.333   15.301  180.850   21.261  156.482   7.2157  162.131   9.6768 -5.648941 12.07092 
1 1 1  -37    6   34 o  214.037   4.8251  312.250   13.974  323.031   20.449  302.806   19.140  217.468   6.9391  210.605   6.7065 6.862289 9.650290 
1 1 1  -37    6   35 o  143.419   5.0130  140.764   9.7078  138.174   14.274  142.993   13.242  142.132   7.4110  144.705   6.7527 -2.572296 10.02609 
1 1 1  -37    6   36 o  149.676   4.9704  153.366   10.049  149.745   14.715  156.531   13.757  147.960   7.3388  151.393   6.7053 -3.433380 9.940805 
1 1 1  -37    6   37 o   98.106   5.8534   65.646   7.7483   69.998   11.630   62.173   10.390  100.980   8.4990   95.232   8.0509 5.748276 11.70684 
1 1 1  -37    6   38 f  144.037   5.1567  141.676   10.043  146.181   14.788  137.819   13.683  146.123   7.4678  141.950   7.1132 4.173035 10.31338 
1 1 1  -37    6   39 o  142.109   6.0568  138.084   11.434  135.385   14.713  142.199   18.166  140.550   7.7249  143.669   9.3309 -3.119522 12.11365 
1 1 1  -37    6   40 o  210.030   5.9018  302.982   16.340  302.823   20.832  303.234   26.344  210.293   7.3100  209.767   9.2676 0.5257263 11.80359 
1 1 1  -37    6   41 o  181.219   5.0772  224.632   12.454  229.727   18.121  220.071   17.146  183.132   7.3019  179.306   7.0563 3.825958 10.15431 
1 1 1  -37    6   42 o  124.374   5.7873  107.789   9.6123   93.169   14.167  120.262   13.086  116.268   8.9913  132.480   7.2888 -16.21195 11.57456 
1 1 1  -37    6   43 o   70.947   9.6423   36.677   8.3483   34.671   15.041   37.570   10.036   68.246   16.455   73.647   10.056 -5.401192 19.28450 
1 1 1  -37    6   44 o  188.155   5.0467  242.497   12.845  245.465   18.781  239.888   17.606  189.178   7.3262  187.132   6.9428 2.045578 10.09332 
1 1 1  -37    6   45 o  164.733   5.1185  186.638   11.392  178.190   16.518  194.301   15.732  161.075   7.5673  168.392   6.8943 -7.316742 10.23701 
1 1 1  -37    6   46 o   90.576   6.4672   56.650   7.9143   57.855   11.703   55.635   10.744   91.400   9.4483   89.752   8.8335 1.648560 12.93449 
1 1 1  -37    6   47 o   65.224   8.4278   31.181   7.1335   24.095   10.490   37.275   9.7292   57.179   13.715   73.269   9.7989 -16.08981 16.85568 
1 1 1  -37    6   48 o  182.217   7.6247  231.880   18.801  215.472   26.252  249.157   26.938  175.470   11.040  188.964   10.520 -13.49452 15.24946 
1 1 1  -37    6   49 o  179.017   7.6617  223.983   18.544  203.933   25.735  245.635   26.744  170.535   11.136  187.498   10.526 -16.96318 15.32331 
1 1 1  -37    6   50 o  176.380   6.5026  218.627   14.306  209.132   25.532  222.973   17.271  172.680   10.911  180.080   7.0775 -7.399719 13.00517 
1 1 1  -37    6   51 o  158.921   7.8012  177.668   16.774  189.742   23.802  165.756   23.642  164.470   10.679  153.373   11.375 11.09760 15.60247 
1 1 1  -37    6   52 o  149.083   6.8081  150.838   13.084  141.850   15.988  169.067   22.770  143.124   8.2430  155.042   10.838 -11.91745 13.61613 
1 1 1  -37    6   53 o  168.383   5.2399  196.070   11.931  187.663   17.194  203.878   16.569  164.771   7.7002  171.994   7.1087 -7.222290 10.47980 
1 1 1  -37    6   54 o  110.565   5.9777   85.391   8.9015   79.322   13.011   90.731   12.205  106.668   9.0012  114.461   7.8684 -7.792984 11.95547 
1 1 1  -37    6   55 o   89.074   6.6319   55.166   7.9724   62.572   11.777   48.901   10.831   94.614   9.1856   83.533   9.5684 11.08085 13.26379 
1 1 1  -37    6   56 f  180.424   5.1748  225.777   12.615  208.356   17.969  242.706   17.714  173.373   7.6483  187.476   6.9725 -14.10321 10.34954 
1 1 1  -37    6   57 o  163.021   5.1657  183.772   11.401  190.098   16.582  178.102   15.700  165.638   7.3875  160.405   7.2225 5.233261 10.33147 
1 1 1  -37    6   58 o  101.925   7.7166   77.065   9.6620   65.974   17.043   82.318   11.729   95.119   13.222  108.731   7.9602 -13.61266 15.43318 
1 1 1  -37    6   59 o  145.221   5.3898  146.901   10.558  144.420   15.613  148.991   14.333  143.895   8.0070  146.547   7.2171 -2.652222 10.77957 
1 1 1  -37    6   60 o  121.503   6.4606  103.417   10.423  100.879   13.398  107.309   16.589  120.068   8.2342  122.938   9.9577 -2.869934 12.92118 
1 1 1  -37    6   61 o   60.722   9.5217   27.672   7.5839   24.074   10.001   32.542   11.634   56.114   13.346   65.330   13.584 -9.216236 19.04338 
1 1 1  -37    6   62 o   88.488   7.2885   54.746   8.6342   47.217   11.218   65.687   13.523   81.255   10.188   95.720   10.425 -14.46454 14.57699 
1 1 1  -37    6   63 o   95.840   7.3392   64.946   9.3126   61.265   11.833   70.936   15.095   92.816   9.4076   98.864   11.267 -6.048027 14.67835 
1 1 1  -37    6   64 o   97.232   9.0159   67.108   11.879   67.108   11.879   0.0000   0.0000   97.232   9.0159  ?   ?       ?      ? 
1 1 1  -37    6   65 o   78.101   7.8357   43.650   8.1539   40.352   10.467   48.740   13.004   74.773   10.330   81.429   11.785 -6.656166 15.67137 
1 1 1  -37    6   66 o   84.076   7.7989   51.609   8.6349   51.690   11.028   51.480   13.882   84.899   9.5853   83.252   12.305 1.647598 15.59773 
1 1 1  -37    6   67 o   49.358   11.464   19.908   9.2727   11.958   14.829   25.013   11.882   43.130   17.081   55.587   15.294 -12.45724 22.92730 
1 1 1  -37    6   68 o  110.179   8.4875   91.272   12.385   84.614   19.137   96.070   16.246  105.479   13.388  114.879   10.436 -9.399727 16.97504 
1 1 1  -37    6   69 o   75.718   10.727   45.924   10.450   47.151   16.482   45.099   13.513   75.428   16.577   76.007   13.619 -0.5788879 21.45451 
1 1 1  -37    6   70 o  107.552   8.6339   88.360   12.293   74.153   18.221  100.228   16.653   98.101   13.706  117.002   10.503 -18.90131 17.26783 
1 1 1  -37    6   71 o   95.963   9.5899   73.616   11.504   52.069   16.764   92.791   15.815   79.375   16.135  112.551   10.369 -33.17588 19.17973 
1 1 1  -37    6   72 o   37.812   14.978   8.8029   11.406   0.0000   0.0000   8.8029   11.406  ?   ?    37.812   14.978      ?      ? 
1 1 1  -37    6   73 o  111.985   11.154   93.481   16.927   0.0000   0.0000   93.481   16.927  ?   ?   111.985   11.154      ?      ? 
1 1 1  -37    6   74 o   77.572   14.164   48.404   14.341   0.0000   0.0000   48.404   14.341  ?   ?    77.572   14.164      ?      ? 
1 1 1  -37    6   75 o  108.128   11.607   88.546   17.008   0.0000   0.0000   88.546   17.008  ?   ?   108.128   11.607      ?      ? 
1 1 1  -37    7    1 o  195.711   4.4941  262.557   11.732  256.393   18.161  266.972   15.369  193.584   6.9229  197.838   5.7326 -4.253983 8.988275 
1 1 1  -37    7    2 o  182.368   4.5019  227.377   10.946  225.922   17.048  228.399   14.278  181.739   6.9222  182.998   5.7577 -1.259277 9.003777 
1 1 1  -37    7    3 f   91.852   5.2134   57.406   6.2101   59.008   10.484   56.540   7.7078   92.698   8.3459   91.005   6.2501 1.693176 10.42677 
1 1 1  -37    7    4 o  164.958   4.5207  184.187   9.9402  194.518   15.710  177.289   12.837  168.683   6.8724  161.232   5.8752 7.451309 9.041458 
1 1 1  -37    7    5 o  233.632   4.6610  371.813   14.634  380.491   22.285  365.233   19.405  235.911   6.9707  231.352   6.1895 4.559937 9.322016 
1 1 1  -37    7    6 o  114.425   4.9158   88.906   7.4340   92.126   12.006   86.904   9.4672  115.991   7.6381  112.859   6.1902 3.132477 9.831529 
1 1 1  -37    7    7 o  117.380   4.9046   94.766   7.6144   91.243   12.045   97.111   9.8274  115.435   7.6996  119.325   6.0775 -3.889610 9.809187 
1 1 1  -37    7    8 o  133.148   4.7670  121.910   8.4504  116.340   13.073  125.907   11.075  130.410   7.3977  135.886   6.0142 -5.475891 9.534019 
1 1 1  -37    7    9 o  114.243   5.4021   93.772   7.5954  101.293   9.2359   78.056   13.350  121.939   5.5892  106.547   9.2462 15.39281 10.80427 
1 1 1  -37    7   10 o   92.939   6.2500   59.379   7.8469   60.298   10.731   58.323   11.504   93.766   8.4450   92.112   9.2160 1.654076 12.50010 
1 1 1  -37    7   11 o  173.043   5.5476  208.240   12.771  227.824   17.068  183.323   19.252  182.637   6.8960  163.449   8.6919 19.18782 11.09521 
1 1 1  -37    7   12 o  177.024   5.0974  221.205   11.085  232.017   13.331  196.976   19.956  184.611   5.3289  169.438   8.6913 15.17329 10.19484 
1 1 1  -37    7   13 o  145.877   5.0726  145.886   9.1643  146.593   10.950  144.233   16.746  146.721   5.5071  145.032   8.5203 1.689407 10.14515 
1 1 1  -37    7   14 o  226.092   5.2002  352.741   14.351  357.215   17.011  341.697   26.728  229.045   5.4807  223.139   8.8391 5.905365 10.40032 
1 1 1  -37    7   15 o  249.404   5.3295  426.692   16.206  428.437   19.152  422.294   30.407  250.810   5.6350  247.999   9.0478 2.811142 10.65908 
1 1 1  -37    7   16 o  195.480   5.5004  260.186   14.571  260.186   14.571   0.0000   0.0000  195.480   5.5004  ?   ?       ?      ? 
1 1 1  -37    7   17 o  231.086   5.5588  363.638   17.408  363.638   17.408   0.0000   0.0000  231.086   5.5588  ?   ?       ?      ? 
1 1 1  -37    7   18 o  142.951   5.2026  137.861   9.2416  135.199   11.004  144.232   17.025  140.879   5.7640  145.023   8.6629 -4.143616 10.40527 
1 1 1  -37    7   19 o  145.896   5.2843  148.121   9.5652  152.249   11.515  138.930   17.180  149.510   5.6834  142.283   8.9104 7.227310 10.56863 
1 1 1  -37    7   20 o  238.566   5.3248  391.788   15.615  395.504   18.582  382.857   28.808  240.970   5.6905  236.163   9.0017 4.807495 10.64955 
1 1 1  -37    7   21 o  185.150   5.2188  238.148   12.024  244.366   14.501  224.463   21.513  189.418   5.6493  180.882   8.7766 8.535583 10.43759 
1 1 1  -37    7   22 o  256.386   5.4316  451.162   17.114  453.247   20.337  446.102   31.681  257.926   5.8184  254.847   9.1735 3.079102 10.86313 
1 1 1  -37    7   23 o  216.805   5.3298  329.011   14.236  340.540   17.087  302.842   25.744  223.603   5.6389  210.007   9.0459 13.59593 10.65954 
1 1 1  -37    7   24 o  139.538   5.2358  129.316   9.2432  122.950   11.097  143.735   16.702  134.294   6.0979  144.783   8.5129 -10.48886 10.47160 
1 1 1  -37    7   25 o  169.788   5.3444  202.868   11.229  212.071   13.560  182.790   20.029  176.442   5.6714  163.134   9.0602 13.30797 10.68887 
1 1 1  -37    7   26 o  172.067   5.2533  203.535   11.278  205.240   13.564  199.714   20.301  173.556   5.7670  170.577   8.7825 2.979248 10.50666 
1 1 1  -37    7   27 o   76.434   7.9593   40.664   7.9304   31.972   10.758   51.007   11.736   66.846   12.331   86.023   10.067 -19.17698 15.91858 
1 1 1  -37    7   28 o  113.509   5.7929   89.548   8.3528   92.033   10.256   84.654   14.395  116.119   6.5176  110.899   9.5787 5.220169 11.58577 
1 1 1  -37    7   29 o  125.540   5.7000  109.306   9.0079  111.652   10.952  104.401   15.837  127.920   6.3178  123.160   9.4892 4.760429 11.39998 
1 1 1  -37    7   30 o  119.493   5.7774   98.417   8.7185   99.357   10.596   96.447   15.341  120.643   6.4812  118.344   9.5659 2.298180 11.55471 
1 1 1  -37    7   31 o  112.221   5.8837   85.667   8.4810   84.122   10.406   88.723   14.637  110.941   6.9215  113.500   9.5164 -2.558464 11.76732 
1 1 1  -37    7   32 o  236.532   5.5129  387.547   16.125  393.902   19.306  372.890   29.320  240.330   5.9280  232.735   9.2966 7.594833 11.02583 
1 1 1  -37    7   33 o  155.528   7.2902  165.547   15.365  165.547   15.365   0.0000   0.0000  155.528   7.2902  ?   ?       ?      ? 
1 1 1  -37    7   34 o   70.540   8.5617   34.281   7.8918   27.035   10.340   44.392   12.215   61.116   12.890   79.964   11.272 -18.84867 17.12344 
1 1 1  -37    7   35 o  190.343   5.7234  246.703   14.401  239.967   18.330  257.565   23.277  187.224   7.2248  193.462   8.8787 -6.238022 11.44679 
1 1 1  -37    7   36 o  213.333   4.9706  311.511   14.356  310.518   20.744  312.422   19.887  212.958   7.1881  213.707   6.8672 -0.7490234 9.941131 
1 1 1  -37    7   37 o  210.948   7.1877  304.769   20.547  304.769   20.547   0.0000   0.0000  210.948   7.1877  ?   ?       ?      ? 
1 1 1  -37    7   38 o   67.724   7.9799   32.545   7.0592   31.311   10.746   33.483   9.3629   65.887   12.492   69.562   9.9325 -3.675232 15.95980 
1 1 1  -37    7   39 o   98.935   6.0941   68.400   8.0412   59.624   11.955   75.651   10.867   92.882   9.4982  104.988   7.6378 -12.10574 12.18822 
1 1 1  -37    7   40 o  173.109   5.0740  205.917   11.859  198.964   17.357  212.005   16.241  170.262   7.5226  175.956   6.8111 -5.693878 10.14796 
1 1 1  -37    7   41 o  131.207   5.4502  119.552   9.5775  106.798   14.154  130.323   13.008  124.515   8.3885  137.899   6.9607 -13.38356 10.90036 
1 1 1  -37    7   42 o   56.206   9.1148   22.572   6.7209   26.725   10.544   19.730   8.7227   60.435   13.240   51.976   12.531 8.459480 18.22963 
1 1 1  -37    7   43 o   92.372   8.8607   66.761   9.2209   47.832   16.694   75.072   11.061   80.290   15.905  104.454   7.8145 -24.16382 17.72132 
1 1 1  -37    7   44 o  163.819   6.3713  184.229   12.881  189.380   23.870  182.113   15.300  164.722   10.693  162.917   6.9302 1.805206 12.74259 
1 1 1  -37    7   45 o  119.853   7.2126  104.686   10.433   89.327   19.016  111.298   12.478  112.449   12.479  127.257   7.2357 -14.80732 14.42528 
1 1 1  -37    7   46 o  163.973   6.3420  185.426   12.877  188.638   23.659  184.074   15.350  164.233   10.631  163.712   6.9190 0.5215302 12.68392 
1 1 1  -37    7   47 o  145.143   5.2487  144.609   10.286  150.338   15.322  139.909   13.879  147.678   7.6561  142.609   7.1818 5.068024 10.49733 
1 1 1  -37    7   48 o  120.955   5.6559  100.306   9.2322  110.217   13.842   92.364   12.391  126.268   8.0894  115.642   7.9069 10.62678 11.31188 
1 1 1  -37    7   49 o  179.017   6.3925  218.693   14.688  210.195   17.935  236.003   25.598  174.517   7.5836  183.517   10.293 -8.999573 12.78509 
1 1 1  -37    7   50 o  100.010   6.2580   69.719   8.4459   67.574   12.406   71.572   11.531   98.439   9.2997  101.581   8.3766 -3.142426 12.51608 
1 1 1  -37    7   51 o  140.369   5.4292  137.167   10.251  126.290   15.034  146.618   14.014  134.924   8.2224  145.813   7.0920 -10.88913 10.85836 
1 1 1  -37    7   52 o  172.085   5.1843  205.192   12.051  195.267   17.472  214.199   16.644  167.944   7.6769  176.227   6.9693 -8.283539 10.36857 
1 1 1  -37    7   53 o  161.609   5.2187  181.379   11.376  171.342   16.602  190.263   15.619  157.186   7.7942  166.032   6.9418 -8.846207 10.43736 
1 1 1  -37    7   54 o   92.365   6.2989   59.272   7.8356   63.107   11.887   56.324   10.420   94.880   9.2450   89.851   8.5578 5.028488 12.59788 
1 1 1  -37    7   55 o  118.158   5.6484   97.320   8.9841   95.675   13.432   98.652   12.086  117.061   8.4671  119.256   7.4783 -2.195091 11.29675 
1 1 1  -37    7   56 o  122.072   5.7543  105.086   9.4042   92.806   13.830  115.648   12.826  115.035   8.8715  129.108   7.3309 -14.07354 11.50850 
1 1 1  -37    7   57 o   76.259   10.877   44.782   10.845   41.969   14.940   47.914   15.766   73.623   15.466   78.895   15.299 -5.271286 21.75477 
1 1 1  -37    7   58 o  119.913   11.361  103.601   18.461  103.601   18.461   0.0000   0.0000  119.913   11.361  ?   ?       ?      ? 
1 1 1  -37    7   59 o  104.679   7.3676   76.954   10.130   72.726   12.704   84.336   16.786  101.393   9.2462  107.964   11.473 -6.571365 14.73529 
1 1 1  -37    7   60 o  134.952   6.5053  132.282   11.423  143.622   14.702  115.007   18.146  143.392   7.5658  126.512   10.585 16.87959 13.01059 
1 1 1  -37    7   61 o  101.682   6.9795   74.237   9.3984   75.641   12.165   72.158   14.802  103.483   8.6748   99.881   10.936 3.602715 13.95897 
1 1 1  -37    7   62 o   89.210   7.2544   56.328   8.6393   52.094   11.140   62.716   13.685   85.385   9.6275   93.036   10.854 -7.650993 14.50888 
1 1 1  -37    7   63 o   41.607   13.897   12.924   9.1988   12.924   9.1988   0.0000   0.0000   41.607   13.897  ?   ?       ?      ? 
1 1 1  -37    7   64 o   71.448   10.735   37.124   10.393   37.124   10.393   0.0000   0.0000   71.448   10.735  ?   ?       ?      ? 
1 1 1  -37    7   65 o   54.187   11.489   23.946   9.0114   24.920   14.046   23.264   11.748   54.763   17.077   53.611   15.374 1.151733 22.97781 
1 1 1  -37    7   66 o   95.194   8.8408   68.283   11.178   65.740   17.344   70.089   14.618   92.659   13.813   97.729   11.038 -5.069992 17.68155 
1 1 1  -37    7   67 o  107.876   8.2676   84.603   11.940   99.006   18.752   74.783   15.484  115.166   12.016  100.586   11.359 14.58054 16.53518 
1 1 1  -37    7   68 o   62.130   11.589   31.311   9.7085   38.120   15.703   27.097   12.352   66.930   17.215   57.330   15.519 9.600037 23.17799 
1 1 1  -37    7   69 o   48.036   10.594   18.222   9.0881   1.4659   14.058   30.254   11.912   34.960   15.367   61.112   14.586 -26.15178 21.18770 
1 1 1  -37    7   70 o   71.831   10.679   42.590   10.175   34.965   15.240   48.723   13.667   63.635   17.244   80.027   12.602 -16.39231 21.35802 
1 1 1  -37    7   71 o   82.701   12.822   52.423   14.370   0.0000   0.0000   52.423   14.370  ?   ?    82.701   12.822      ?      ? 
1 1 1  -37    7   72 o   93.629   12.344   66.887   15.663   0.0000   0.0000   66.887   15.663  ?   ?    93.629   12.344      ?      ? 
1 1 1  -37    7   73 o   99.566   12.002   75.514   16.194   0.0000   0.0000   75.514   16.194  ?   ?    99.566   12.002      ?      ? 
1 1 1  -37    7   74 o   69.375   15.609   40.739   14.319   0.0000   0.0000   40.739   14.319  ?   ?    69.375   15.609      ?      ? 
1 1 1  -37    7   75 o   37.501   15.418   8.3496   12.592   0.0000   0.0000   8.3496   12.592  ?   ?    37.501   15.418      ?      ? 
1 1 1  -37    8    1 o  104.075   4.8529   75.601   6.3937   70.202   11.037   78.328   7.8440  101.005   8.0634  107.144   5.4024 -6.139465 9.705879 
1 1 1  -37    8    2 o  131.645   4.5928  119.399   7.8704  115.554   12.975  121.637   9.8995  129.770   7.3784  133.520   5.4712 -3.749664 9.185617 
1 1 1  -37    8    3 o  220.287   5.5310  335.941   16.166  347.066   21.047  319.931   25.247  225.106   6.8995  215.469   8.6467 9.637451 11.06202 
1 1 1  -37    8    4 o  163.403   5.4241  183.389   11.825  183.883   15.443  182.687   18.384  163.858   6.9547  162.948   8.3255 0.9097137 10.84812 
1 1 1  -37    8    5 o   47.891   7.5085   19.067   4.8315   7.0563   8.4388   24.923   5.8929   35.474   13.173   60.308   7.2106 -24.83400 15.01698 
1 1 1  -37    8    6 o  109.067   4.9555   82.380   7.0902   77.520   11.383   85.461   9.0632  106.254   7.9054  111.880   5.9779 -5.626579 9.911089 
1 1 1  -37    8    7 o   59.824   7.0693   23.539   5.4405   32.221   9.2019   18.873   6.7458   68.253   9.9488   51.394   10.046 16.85883 14.13858 
1 1 1  -37    8    8 o  127.098   5.5754  111.679   9.5245  119.929   13.004  102.132   13.989  132.323   7.2519  121.872   8.4705 10.45095 11.15080 
1 1 1  -37    8    9 o  178.820   4.9548  225.093   11.014  235.705   13.354  202.513   19.480  185.981   5.2986  171.660   8.3740 14.32144 9.909520 
1 1 1  -37    8   10 o  138.981   4.9817  135.411   8.7033  141.444   10.638  123.196   15.136  144.053   5.4494  133.908   8.3410 10.14534 9.963311 
1 1 1  -37    8   11 o   78.680   6.5177   46.594   6.2041   54.038   7.6722   32.527   10.546   88.948   6.3651   68.412   11.376 20.53558 13.03530 
1 1 1  -37    8   12 o  100.007   6.2455   69.495   8.3758   76.841   11.499   61.193   12.224  105.826   8.0184   94.188   9.5775 11.63854 12.49092 
1 1 1  -37    8   13 o   81.566   5.9132   43.908   6.2055   40.371   7.5349   51.363   10.940   76.799   7.2400   86.334   9.3512 -9.535156 11.82635 
1 1 1  -37    8   14 o   63.686   7.5190   30.118   5.7291   32.785   6.9718   24.572   10.054   69.191   7.4355   58.180   13.071 11.01107 15.03795 
1 1 1  -37    8   15 o  208.080   5.1103  299.992   13.132  305.526   15.717  287.191   23.903  211.739   5.4775  204.421   8.6288 7.317474 10.22055 
1 1 1  -37    8   16 o  213.805   5.1523  313.227   13.618  313.742   16.237  312.006   25.004  214.545   5.5848  213.066   8.6600 1.479828 10.30462 
1 1 1  -37    8   17 o  215.562   5.1886  316.675   13.752  314.747   16.303  321.430   25.604  214.887   5.5984  216.237   8.7376 -1.349457 10.37726 
1 1 1  -37    8   18 o  147.198   5.6926  147.716   11.355  147.716   11.355   0.0000   0.0000  147.198   5.6926  ?   ?       ?      ? 
1 1 1  -37    8   19 o  140.140   5.2835  136.941   9.2335  141.065   11.167  128.029   16.417  143.840   5.7290  136.440   8.8793 7.400009 10.56708 
1 1 1  -37    8   20 o  219.066   5.2140  328.180   14.097  327.674   16.777  329.395   26.005  219.244   5.6467  218.889   8.7670 0.3556061 10.42808 
1 1 1  -37    8   21 o  216.992   5.2806  327.172   14.144  334.313   16.937  310.716   25.710  221.453   5.6437  212.531   8.9268 8.922363 10.56117 
1 1 1  -37    8   22 o  199.198   5.2876  278.959   13.074  290.913   15.814  253.142   23.239  206.575   5.6491  191.822   8.9400 14.75368 10.57525 
1 1 1  -37    8   23 o   73.431   6.7516   35.288   6.4877   30.385   8.0045   44.677   11.076   66.460   8.8877   80.403   10.166 -13.94287 13.50314 
1 1 1  -37    8   24 o   80.593   6.6250   44.936   6.9395   45.396   8.6946   44.129   11.518   81.362   7.8858   79.825   10.648 1.536110 13.24998 
1 1 1  -37    8   25 o   92.086   6.1516   57.819   7.3446   56.648   9.1041   60.003   12.430   90.949   7.3868   93.222   9.8391 -2.272774 12.30330 
1 1 1  -37    8   26 o   61.288   8.7825   26.884   6.9913   25.418   9.2402   28.847   10.692   59.435   11.888   63.141   12.931 -3.706429 17.56507 
1 1 1  -37    8   27 o  144.261   6.7623  141.895   13.062  154.411   20.407  133.207   17.001  149.442   10.077  139.079   9.0206 10.36279 13.52467 
1 1 1  -37    8   28 o  173.260   6.6478  204.880   15.459  222.446   23.905  192.254   20.267  179.432   9.8313  167.087   8.9509 12.34438 13.29560 
1 1 1  -37    8   29 o  126.831   5.9044  110.120   9.9816  108.141   12.943  113.024   15.679  125.584   7.6056  128.077   9.0335 -2.493057 11.80884 
1 1 1  -37    8   30 o   56.757   8.8613   22.607   6.4818   19.989   8.1790   27.028   10.628   52.567   11.774   60.947   13.246 -8.379463 17.72268 
1 1 1  -37    8   31 o  104.070   5.9802   74.100   8.0778   73.100   10.042   75.934   13.597  103.300   7.1736  104.839   9.5703 -1.538643 11.96045 
1 1 1  -37    8   32 f   54.834   8.6177   24.037   6.6373   33.997   8.5325   8.7757   10.562   70.220   8.9667   39.447   14.719 30.77374 17.23538 
1 1 1  -37    8   33 o  172.622   6.0725  203.565   14.205  203.565   14.205   0.0000   0.0000  172.622   6.0725  ?   ?       ?      ? 
1 1 1  -37    8   34 o  205.627   5.9133  288.775   16.477  288.775   16.477   0.0000   0.0000  205.627   5.9133  ?   ?       ?      ? 
1 1 1  -37    8   35 f  125.051   5.8470  108.522   9.3254  110.329   11.462  104.982   16.039  126.949   6.6627  123.154   9.6103 3.795258 11.69395 
1 1 1  -37    8   36 o  108.742   5.7077   81.568   8.3444   79.717   12.533   83.041   11.183  107.518   8.6019  109.966   7.5046 -2.447823 11.41543 
1 1 1  -37    8   37 o  120.024   5.4404   98.339   8.8016  105.555   13.302   92.720   11.739  123.860   7.9250  116.188   7.4556 7.672539 10.88082 
1 1 1  -37    8   38 o   40.008   8.7674   10.702   6.0526   0.1897   9.4084   18.125   7.9058   30.133   12.908   49.882   11.868 -19.74924 17.53478 
1 1 1  -37    8   39 o   84.381   9.1682   57.577   8.5595   37.788   15.713   65.927   10.207   70.873   16.644   97.888   7.6946 -27.01415 18.33640 
1 1 1  -37    8   40 o  148.877   10.678  154.784   21.542  154.784   21.542   0.0000   0.0000  148.877   10.678  ?   ?       ?      ? 
1 1 1  -37    8   41 o  150.551   6.2059  149.722   11.590  174.861   21.906  139.948   13.659  158.370   10.207  142.731   7.0617 15.63893 12.41171 
1 1 1  -37    8   42 o  110.662   5.7288   84.828   8.5018   82.412   12.880   86.693   11.318  109.102   8.7115  112.223   7.4421 -3.121788 11.45752 
1 1 1  -37    8   43 f   66.177   9.8360   34.114   7.7594   26.911   14.899   36.794   9.0894   59.577   17.380   72.776   9.2164 -13.19837 19.67207 
1 1 1  -37    8   44 o  132.896   5.4061  122.317   9.6565  117.547   14.443  126.172   12.986  130.374   8.1750  135.417   7.0763 -5.042313 10.81224 
1 1 1  -37    8   45 o  100.790   6.0303   70.427   8.1592   70.509   12.411   70.364   10.828  100.684   9.0965  100.896   7.9192 -0.2126541 12.06068 
1 1 1  -37    8   46 o   47.483   9.0557   14.814   6.4346   27.330   10.055   6.1345   8.3735   60.926   12.595   34.040   13.015 26.88652 18.11141 
1 1 1  -37    8   47 o   41.268   9.0996   11.980   6.2226   3.4956   9.5318   18.282   8.2145   32.814   13.444   49.722   12.267 -16.90842 18.19915 
1 1 1  -37    8   48 o  104.171   5.9711   76.007   8.3482   69.833   12.358   81.190   11.322  100.033   9.1166  108.309   7.7138 -8.276421 11.94218 
1 1 1  -37    8   49 o   93.289   7.8191   60.349   9.4674   57.207   11.684   66.356   16.155   90.353   9.5426   96.226   12.389 -5.872643 15.63811 
1 1 1  -37    8   50 f   28.505   8.5764  -0.3510   5.8024   4.5800   9.1777  -3.6344   7.4890   33.231   13.345   23.780   10.776 9.450922 17.15273 
1 1 1  -37    8   51 o   35.632   9.3895   7.2522   5.9686   9.5691   9.5332   5.7586   7.6544   38.655   14.059   32.609   12.449 6.046532 18.77894 
1 1 1  -37    8   52 o   61.949   8.2177   28.384   6.6229   25.215   10.128   30.752   8.7540   57.865   13.207   66.034   9.7827 -8.169220 16.43542 
1 1 1  -37    8   53 o   40.181   8.5963   10.672   6.1448  -1.4901   9.2357   20.331   8.2310   28.147   12.411   52.216   11.898 -24.06927 17.19263 
1 1 1  -37    8   54 o  125.948   6.3478  111.473   10.660  111.265   13.897  111.771   16.614  126.218   8.1249  125.678   9.7554 0.5392914 12.69568 
1 1 1  -37    8   55 o   90.829   7.1384   57.960   8.7101   53.493   11.441   64.118   13.434   86.875   9.7180   94.782   10.459 -7.907310 14.27678 
1 1 1  -37    8   56 o   61.391   9.6037   29.329   7.7648   33.103   10.412   24.600   11.654   66.696   11.960   56.086   15.029 10.61010 19.20737 
1 1 1  -37    8   57 o  148.778   6.0925  154.586   12.036  149.419   15.440  162.587   19.214  146.151   7.7959  151.406   9.3648 -5.254761 12.18501 
1 1 1  -37    8   58 o   62.444   10.988   29.591   9.4123   43.307   14.684   20.026   12.263   74.410   15.079   50.478   15.988 23.93145 21.97681 
1 1 1  -37    8   59 o   77.942   7.9253   42.863   8.2379   36.907   10.569   52.082   13.149   71.377   10.927   84.507   11.482 -13.12974 15.85057 
1 1 1  -37    8   60 f   74.634   10.141   43.652   9.8201   39.099   15.228   46.893   12.848   69.395   16.445   79.874   11.870 -10.47855 20.28174 
1 1 1  -37    8   61 o  115.290   7.9596   98.107   12.219   90.744   18.598  103.698   16.207  110.530   12.417  120.049   9.9623 -9.518776 15.91922 
1 1 1  -37    8   62 o   75.881   10.114   45.133   9.9914   41.901   15.364   47.502   13.153   71.749   16.187   80.014   12.130 -8.264938 20.22737 
1 1 1  -37    8   63 o   91.095   14.833   64.488   18.311   64.488   18.311   0.0000   0.0000   91.095   14.833  ?   ?       ?      ? 
1 1 1  -37    8   65 o   78.021   17.140   51.017   17.627   51.017   17.627   0.0000   0.0000   78.021   17.140  ?   ?       ?      ? 
1 1 1  -37    8   66 o   44.154   16.892   14.224   14.112   14.224   14.112   0.0000   0.0000   44.154   16.892  ?   ?       ?      ? 
1 1 1  -37    8   67 o   49.794   11.708   19.599   9.4456   28.178   14.271   12.911   12.601   57.333   17.086   42.256   16.011 15.07702 23.41509 
1 1 1  -37    8   68 o   45.972   11.310   16.738   9.1165   8.9156   13.606   23.111   12.281   39.411   16.094   52.534   15.894 -13.12352 22.61933 
1 1 1  -37    8   69 o  104.577   8.8553   84.828   12.236   70.127   18.067   97.285   16.631   94.475   14.112  114.678   10.702 -20.20330 17.71053 
1 1 1  -37    8   70 o   88.078   10.319   64.158   11.504   47.996   17.098   77.526   15.550   74.425   17.284  101.732   11.279 -27.30734 20.63895 
1 1 1  -37    8   71 o   77.708   14.145   48.756   14.347   0.0000   0.0000   48.756   14.347  ?   ?    77.708   14.145      ?      ? 
1 1 1  -37    8   72 o   64.444   16.013   35.705   13.922   0.0000   0.0000   35.705   13.922  ?   ?    64.444   16.013      ?      ? 
1 1 1  -37    8   73 o   87.791   13.142   60.748   15.635   0.0000   0.0000   60.748   15.635  ?   ?    87.791   13.142      ?      ? 
1 1 1  -37    8   74 o   79.761   14.856   53.283   15.466   0.0000   0.0000   53.283   15.466  ?   ?    79.761   14.856      ?      ? 
1 1 1  -37    8   75 o   48.753   17.058   21.663   13.897   0.0000   0.0000   21.663   13.897  ?   ?    48.753   17.058      ?      ? 
1 1 1  -37    9    1 o  158.897   4.4174  177.311   9.0950  156.813   14.745  189.900   11.555  151.007   7.2053  166.786   5.1125 -15.77927 8.834829 
1 1 1  -37    9    2 o  185.661   5.2665  239.878   13.094  267.404   17.968  208.702   19.122  197.415   6.7162  173.907   8.1139 23.50793 10.53293 
1 1 1  -37    9    3 o  149.559   4.4878  156.622   8.7165  140.296   14.117  166.680   11.081  142.859   7.2923  156.259   5.2329 -13.39954 8.975568 
1 1 1  -37    9    4 o   73.301   5.8045   39.303   5.1225   31.864   9.2457   42.598   6.1533   67.661   10.084   78.941   5.7521 -11.28017 11.60892 
1 1 1  -37    9    5 o  115.839   7.5391   92.276   11.835   92.276   11.835   0.0000   0.0000  115.839   7.5391  ?   ?       ?      ? 
1 1 1  -37    9    6 o  140.612   5.5286  134.996   10.396  129.729   13.531  142.584   16.242  137.440   7.2650  143.785   8.3356 -6.344589 11.05719 
1 1 1  -37    9    7 f  165.391   4.5445  188.800   9.9929  178.801   15.489  195.930   13.079  161.426   7.0805  169.355   5.6989 -7.928955 9.089048 
1 1 1  -37    9    8 o  151.448   4.7488  157.825   9.0346  158.979   10.924  155.327   16.073  152.649   5.2806  150.248   7.8943 2.401077 9.497639 
1 1 1  -37    9    9 f  129.708   4.9247  117.816   7.9942  122.168   9.7153  108.691   14.067  133.807   5.3579  125.608   8.2645 8.199371 9.849316 
1 1 1  -37    9   10 o  142.809   4.9007  141.651   8.7899  144.942   10.672  134.708   15.500  145.745   5.4033  139.874   8.1774 5.871017 9.801323 
1 1 1  -37    9   11 o  116.163   4.9675   91.222   7.3735   88.736   8.9791   96.369   12.921  113.980   5.8133  118.346   8.0567 -4.365631 9.935065 
1 1 1  -37    9   12 o  125.421   5.3622  109.307   8.8714  114.198   11.468  102.019   14.000  129.170   6.5514  121.673   8.4908 7.496429 10.72449 
1 1 1  -37    9   13 f   94.527   7.2534   62.416   9.0373   60.295   14.424   63.786   11.595   92.916   11.456   96.138   8.9004 -3.221649 14.50677 
1 1 1  -37    9   14 f  146.486   6.4696  145.837   12.619  160.785   20.156  136.203   16.182  152.366   9.7620  140.607   8.4928 11.75963 12.93921 
1 1 1  -37    9   15 o  199.678   5.4339  278.919   14.189  295.859   18.190  252.586   22.678  207.963   6.4544  191.393   8.7437 16.56993 10.86789 
1 1 1  -37    9   16 o  180.702   5.3326  225.002   12.641  227.685   16.045  220.612   20.526  182.430   6.4904  178.974   8.4630 3.456436 10.66520 
1 1 1  -37    9   17 o  121.499   5.5318  101.546   8.8944  101.996   11.430  100.855   14.162  122.025   6.9122  120.973   8.6387 1.052010 11.06369 
1 1 1  -37    9   18 o  105.169   5.7935   75.170   8.1308   71.098   10.499   81.271   12.852  101.762   7.6135  108.575   8.7347 -6.812744 11.58708 
1 1 1  -37    9   19 o  114.841   7.2703   90.442   11.314   90.442   11.314   0.0000   0.0000  114.841   7.2703  ?   ?       ?      ? 
1 1 1  -37    9   20 o  112.803   5.5439   88.932   7.9855   92.217   9.8818   82.751   13.557  116.138   6.2789  109.469   9.1386 6.669029 11.08774 
1 1 1  -37    9   21 o  181.472   5.1299  226.031   11.663  226.353   14.050  225.317   20.917  182.097   5.6937  180.847   8.5350 1.249969 10.25980 
1 1 1  -37    9   22 o  203.230   5.1510  280.499   13.024  276.321   15.540  290.359   23.871  201.190   5.6999  205.271   8.5814 -4.080856 10.30194 
1 1 1  -37    9   23 o  149.789   5.2983  156.674   9.9185  161.244   12.015  146.897   17.574  153.671   5.7697  145.907   8.8881 7.763229 10.59655 
1 1 1  -37    9   24 o   86.647   6.0960   50.705   6.8586   48.240   8.4668   55.409   11.697   83.834   7.4528   89.460   9.6488 -5.626053 12.19194 
1 1 1  -37    9   25 o  133.913   5.3229  123.270   9.1020  123.548   11.156  122.716   15.741  134.439   6.1236  133.388   8.7083 1.050827 10.64583 
1 1 1  -37    9   26 o  120.575   5.5706  101.969   8.5535  106.272   10.573   93.819   14.550  124.655   6.2593  116.495   9.2168 8.160576 11.14126 
1 1 1  -37    9   27 o  143.631   5.2945  139.929   9.6941  136.618   11.788  146.847   17.039  141.351   6.1540  145.912   8.6173 -4.561020 10.58908 
1 1 1  -37    9   28 o  124.590   5.9957  106.343   10.055  101.446   13.346  112.772   15.291  121.385   8.1137  127.795   8.8295 -6.410065 11.99133 
1 1 1  -37    9   29 o  163.905   5.3035  184.084   10.976  183.224   13.290  185.929   19.465  163.714   5.9906  164.096   8.7534 -0.3821259 10.60703 
1 1 1  -37    9   30 o  164.284   5.3453  184.935   11.089  183.921   13.427  187.112   19.670  164.000   6.0414  164.568   8.8200 -0.5676575 10.69070 
1 1 1  -37    9   31 o  138.110   5.4194  128.040   9.5872  121.919   11.654  140.851   16.862  133.429   6.4455  142.791   8.7140 -9.362167 10.83873 
1 1 1  -37    9   32 o  109.912   5.9643   82.741   8.4576   81.304   10.432   85.497   14.447  108.829   7.0735  110.995   9.6050 -2.165634 11.92855 
1 1 1  -37    9   33 o   82.554   7.5178   46.990   8.3568   41.078   11.157   54.547   12.613   76.688   10.736   88.421   10.527 -11.73325 15.03560 
1 1 1  -37    9   34 o  152.873   7.6122  160.862   15.770  160.862   15.770   0.0000   0.0000  152.873   7.6122  ?   ?       ?      ? 
1 1 1  -37    9   35 o  197.579   5.8082  268.635   15.238  265.161   19.628  273.907   24.177  196.331   7.3774  198.828   8.9729 -2.496582 11.61635 
1 1 1  -37    9   36 o  152.768   5.6584  165.804   10.900  175.414   13.421  147.180   18.683  160.021   6.1889  145.516   9.4747 14.50439 11.31686 
1 1 1  -37    9   37 o  122.708   5.6957  101.105   8.9808   95.352   10.936  113.020   15.739  117.815   6.8497  127.601   9.1019 -9.785606 11.39139 
1 1 1  -37    9   38 o  171.685   5.4525  201.895   11.823  199.399   14.295  207.296   21.033  170.561   6.1848  172.809   8.9815 -2.248184 10.90498 
1 1 1  -37    9   39 o  108.212   5.7366   80.771   8.3581   82.738   12.615   79.232   11.159  109.271   8.5190  107.152   7.6850 2.118477 11.47315 
1 1 1  -37    9   40 f  162.515   5.0883  183.210   11.123  166.453   16.224  198.069   15.278  155.257   7.7113  169.773   6.6408 -14.51669 10.17668 
1 1 1  -37    9   41 o  179.707   5.0389  223.383   12.213  210.888   17.833  234.421   16.761  174.783   7.5291  184.632   6.6989 -9.849884 10.07785 
1 1 1  -37    9   42 o  181.312   5.0408  227.754   12.319  210.863   17.909  242.925   16.972  174.703   7.5644  187.921   6.6648 -13.21748 10.08170 
1 1 1  -37    9   43 o  128.931   6.7870  117.882   10.690  112.469   19.722  120.133   12.721  125.887   11.561  131.975   7.1130 -6.087997 13.57394 
1 1 1  -37    9   44 o  147.448   5.2480  150.713   10.405  146.562   15.587  154.050   13.975  145.412   7.9100  149.483   6.8990 -4.070938 10.49591 
1 1 1  -37    9   45 o   79.566   7.0544   46.053   7.3184   35.995   11.087   53.820   9.7425   71.118   11.504   88.014   8.1684 -16.89585 14.10882 
1 1 1  -37    9   46 f   61.699   8.3570   28.033   6.7204   25.431   10.335   29.940   8.8459   58.201   13.383   65.197   10.012 -6.996704 16.71392 
1 1 1  -37    9   47 o   60.270   8.5609   27.238   6.7419   22.554   10.344   30.697   8.8895   54.553   13.940   65.987   9.9411 -11.43475 17.12172 
1 1 1  -37    9   48 o  104.866   5.9061   75.818   8.3406   88.161   12.555   66.069   11.158  112.456   8.2388   97.276   8.4648 15.17968 11.81228 
1 1 1  -37    9   49 o  112.119   7.2597   92.013   10.361   99.151   12.979   79.469   17.206  119.281   8.0293  104.957   12.097 14.32416 14.51931 
1 1 1  -37    9   50 o   71.944   8.6853   38.231   8.1045   39.458   10.615   36.515   12.549   74.440   10.523   69.449   13.821 4.990997 17.37057 
1 1 1  -37    9   51 o   86.512   7.3536   52.279   8.5065   47.142   10.994   59.941   13.428   81.501   9.9542   91.523   10.827 -10.02196 14.70723 
1 1 1  -37    9   52 o   72.525   8.4804   38.875   7.9792   40.023   10.460   37.276   12.340   74.899   10.305   70.151   13.471 4.748260 16.96080 
1 1 1  -37    9   53 o   39.890   9.9259   9.7902   6.8967   4.3673   9.1240   17.019   10.534   32.593   13.229   47.187   14.801 -14.59397 19.85180 
1 1 1  -37    9   54 o  113.977   6.4952   90.981   9.8730   86.348   12.744   97.937   15.615  110.752   8.4911  117.203   9.8313 -6.451660 12.99046 
1 1 1  -37    9   55 o   75.466   8.1910   41.285   8.3171   39.778   11.047   43.258   12.637   74.146   10.995   76.786   12.145 -2.640068 16.38205 
1 1 1  -37    9   56 f  118.857   8.0685  106.105   12.508   84.303   18.947  122.947   16.652  106.315   13.151  131.398   9.3519 -25.08286 16.13705 
1 1 1  -37    9   57 o  112.395   8.0878   88.784   12.073  112.889   19.545   73.915   15.351  124.119   11.620  100.670   11.252 23.44913 16.17569 
1 1 1  -37    9   58 o  119.746   7.8705  105.836   12.528   96.806   19.091  112.666   16.603  114.229   12.333  125.263   9.7811 -11.03432 15.74098 
1 1 1  -37    9   59 o   77.356   10.200   48.155   10.133   37.429   15.463   56.227   13.414   67.152   16.981   87.561   11.305 -20.40906 20.40008 
1 1 1  -37    9   60 o   81.562   9.6490   51.443   10.194   49.099   15.761   53.129   13.366   78.306   15.401   84.819   11.628 -6.512993 19.29807 
1 1 1  -37    9   61 f   95.912   8.6570   69.833   10.987   60.764   16.593   76.914   14.662   89.112   13.741  102.711   10.534 -13.59914 17.31406 
1 1 1  -37    9   62 o  120.786   8.0066  109.260   12.857   96.048   19.249  119.903   17.276  112.926   12.579  128.646   9.9096 -15.71996 16.01313 
1 1 1  -37    9   63 o   45.924   16.727   16.407   13.500   16.407   13.500   0.0000   0.0000   45.924   16.727  ?   ?       ?      ? 
1 1 1  -37    9   64 o   77.929   10.070   48.355   10.241   43.780   15.381   51.998   13.726   72.740   16.035   83.118   12.187 -10.37767 20.14049 
1 1 1  -37    9   65 o   44.266   11.301   14.184   8.7384   21.256   13.565   9.1673   11.425   50.339   16.875   38.194   15.035 12.14474 22.60126 
1 1 1  -37    9   66 o   50.216   9.9826   18.849   9.2879  -4.6340   13.841   38.085   12.527   31.333   14.370   69.099   13.860 -37.76630 19.96519 
1 1 1  -37    9   67 o   51.115   11.019   21.476   9.6261   5.9180   14.226   34.615   13.073   37.568   15.977   64.663   15.179 -27.09563 22.03820 
1 1 1  -37    9   68 o   73.689   10.935   44.888   10.551   49.373   15.596   41.104   14.327   77.173   15.452   70.205   15.476 6.968117 21.86975 
1 1 1  -37    9   69 o   41.740   10.809   10.363   9.1650  -3.0794   12.883   24.138   13.041   30.767   14.016   52.714   16.458 -21.94670 21.61771 
1 1 1  -37    9   70 o   32.689   14.436   1.2031   12.543   0.0000   0.0000   1.2031   12.543  ?   ?    32.689   14.436      ?      ? 
1 1 1  -37    9   71 o   40.419   15.952   11.876   12.891   0.0000   0.0000   11.876   12.891  ?   ?    40.419   15.952      ?      ? 
1 1 1  -37   10    1 o  119.597   7.2871   98.716   11.810   98.716   11.810   0.0000   0.0000  119.597   7.2871  ?   ?       ?      ? 
1 1 1  -37   10    2 o   65.676   6.0008   32.940   4.1284   25.800   8.5464   35.113   4.7150   59.653   10.977   71.699   4.8527 -12.04616 12.00154 
1 1 1  -37   10    3 o   79.595   5.1208   44.738   4.8767   41.354   9.2449   46.043   5.7404   77.122   8.8459   82.069   5.1615 -4.947609 10.24162 
1 1 1  -37   10    4 o   71.850   5.9691   34.974   5.7357   41.104   9.0500   30.858   7.4151   76.944   8.6794   66.756   8.1968 10.18858 11.93813 
1 1 1  -37   10    5 o   66.380   5.7009   28.813   4.6966   34.697   8.9229   26.558   5.5236   70.581   9.3290   62.179   6.5553 8.401821 11.40188 
1 1 1  -37   10    6 o  101.120   4.9124   70.562   6.3670   69.621   10.901   71.049   7.8441  100.356   8.0154  101.884   5.6814 -1.528114 9.824739 
1 1 1  -37   10    7 o  102.333   5.6298   71.651   7.8071   71.651   7.8071   0.0000   0.0000  102.333   5.6298  ?   ?       ?      ? 
1 1 1  -37   10    8 o   91.049   5.8426   56.754   7.2088   56.754   7.2088   0.0000   0.0000   91.049   5.8426  ?   ?       ?      ? 
1 1 1  -37   10    9 o  110.449   5.1787   89.781   7.1242  103.254   8.9572   66.582   11.754  122.914   5.3776   97.984   8.8519 24.93010 10.35738 
1 1 1  -37   10   10 o  107.760   4.8764   80.073   6.7882   80.753   8.4378   78.826   11.429  108.642   5.7312  106.878   7.8911 1.764297 9.752742 
1 1 1  -37   10   11 o  168.207   4.6896  189.535   10.023  181.305   12.099  207.546   17.899  162.864   5.4818  173.551   7.6105 -10.68672 9.379269 
1 1 1  -37   10   12 o  105.469   5.3465   80.494   7.1199   89.787   8.9435   64.412   11.765  114.565   5.7607   96.373   9.0087 18.19191 10.69305 
1 1 1  -37   10   13 o  143.472   4.9183  142.819   8.9675  145.624   10.992  137.235   15.507  145.956   5.5574  140.988   8.1162 4.967529 9.836544 
1 1 1  -37   10   14 o  143.540   5.5187  142.230   10.679  144.117   14.448  139.957   15.855  144.725   7.3670  142.356   8.2190 2.369385 11.03739 
1 1 1  -37   10   15 o  122.769   5.6477  102.064   9.2815   82.789   12.302  127.531   14.141  109.475   8.2926  136.063   7.6693 -26.58757 11.29533 
1 1 1  -37   10   16 o   93.296   5.6369   61.092   6.7502   63.605   8.4101   56.543   11.317   96.325   6.4429   90.267   9.2513 6.058495 11.27377 
1 1 1  -37   10   17 o  102.313   5.5137   74.080   7.1299   78.034   8.7833   66.440   12.209  106.764   6.0709   97.863   9.2059 8.900398 11.02740 
1 1 1  -37   10   18 o  121.803   5.2041  102.399   8.0740  103.089   9.8847  101.015   13.995  122.740   5.9429  120.866   8.5448 1.873390 10.40821 
1 1 1  -37   10   19 o  123.725   6.0004  104.772   10.061  104.772   10.061   0.0000   0.0000  123.725   6.0004  ?   ?       ?      ? 
1 1 1  -37   10   20 o  100.211   6.6298   68.885   9.0033   68.885   9.0033   0.0000   0.0000  100.211   6.6298  ?   ?       ?      ? 
1 1 1  -37   10   21 o   99.860   5.5876   65.783   7.2415   59.157   8.8596   79.118   12.569   92.791   7.0457  106.929   8.6743 -14.13822 11.17525 
1 1 1  -37   10   22 o  118.548   5.5802  100.391   8.3755  108.112   10.411   86.231   14.100  125.652   6.1144  111.443   9.3363 14.20974 11.16035 
1 1 1  -37   10   23 o  144.502   5.2064  141.684   9.6271  137.767   11.741  149.723   16.818  141.839   6.1085  147.165   8.4329 -5.326050 10.41281 
1 1 1  -37   10   24 o  145.450   5.6660  145.563   11.038  143.236   14.493  148.775   17.031  144.260   7.4139  146.639   8.5703 -2.379745 11.33203 
1 1 1  -37   10   25 o  105.308   6.3174   77.162   8.9491   79.544   12.069   74.254   13.337  107.282   8.3018  103.334   9.5245 3.948311 12.63473 
1 1 1  -37   10   26 o  167.316   5.7133  195.584   12.725  208.008   16.850  179.092   19.413  173.914   7.1494  160.717   8.9136 13.19681 11.42654 
1 1 1  -37   10   27 o  112.614   6.2069   88.420   9.3587   91.824   12.467   84.027   14.165  115.330   7.9772  109.897   9.5113 5.433586 12.41374 
1 1 1  -37   10   28 o  118.084   7.6371   96.678   11.787  102.033   19.632   93.660   14.738  120.118   12.061  116.050   9.3717 4.067101 15.27411 
1 1 1  -37   10   29 o   84.990   6.7775   52.212   7.3517   57.165   9.2718   43.826   12.065   91.072   7.5127   78.908   11.283 12.16416 13.55509 
1 1 1  -37   10   30 o  105.624   5.8786   76.221   8.0608   73.844   9.9855   80.669   13.657  103.587   7.1135  107.662   9.3610 -4.075401 11.75718 
1 1 1  -37   10   31 o   97.603   6.1695   65.871   7.8126   65.315   9.7237   66.883   13.122   97.352   7.3706   97.854   9.8958 -0.5025101 12.33909 
1 1 1  -37   10   32 o   54.510   9.0057   22.225   6.4402   23.498   8.2693   20.264   10.267   56.884   11.126   52.136   14.164 4.747875 18.01138 
1 1 1  -37   10   33 o   66.312   8.1867   30.977   6.9400   29.367   8.6760   33.837   11.564   64.808   9.8790   67.816   13.057 -3.007858 16.37330 
1 1 1  -37   10   34 o   76.641   8.5857   40.781   8.9171   40.781   8.9171   0.0000   0.0000   76.641   8.5857  ?   ?       ?      ? 
1 1 1  -37   10   35 o   55.268   8.8882   24.145   6.6681   30.550   8.4829   13.789   10.787   66.142   9.4642   44.395   15.048 21.74692 17.77645 
1 1 1  -37   10   36 f  115.936   5.7056   87.919   8.5619   76.777   10.413  111.177   15.044  105.473   7.2852  126.399   8.7831 -20.92595 11.41124 
1 1 1  -37   10   37 o   84.784   6.7580   49.156   7.4070   46.621   9.0944   54.153   12.766   81.969   8.1873   87.599   10.754 -5.630432 13.51592 
1 1 1  -37   10   38 o   34.945   9.0362   3.4408   5.9658  -3.0566   7.4180   15.339   10.038   24.096   10.840   45.793   14.461 -21.69680 18.07245 
1 1 1  -37   10   39 o   78.844   7.2081   43.230   7.3565   41.951   9.0911   45.657   12.521   77.595   8.6457   80.094   11.536 -2.499062 14.41621 
1 1 1  -37   10   40 o  122.704   5.8800  105.865   9.2321  108.311   11.412  101.232   15.704  125.335   6.7192  120.072   9.6515 5.263100 11.76005 
1 1 1  -37   10   41 o  123.254   5.6697  100.454   9.0333   89.684   10.991  122.878   15.859  113.896   7.1209  132.611   8.8247 -18.71565 11.33943 
1 1 1  -37   10   42 o  130.721   5.3151  118.750   9.3588  115.853   13.918  121.141   12.644  129.082   7.9566  132.359   7.0495 -3.276871 10.63022 
1 1 1  -37   10   43 o   76.581   9.7931   51.758   8.4445   27.316   15.604   61.880   10.042   58.830   17.942   94.331   7.8556 -35.50149 19.58626 
1 1 1  -37   10   44 o   79.116   6.7420   43.253   7.1559   50.899   11.099   37.814   9.3610   84.949   9.6419   73.284   9.4261 11.66557 13.48396 
1 1 1  -37   10   45 o  112.671   5.6579   88.716   8.5546   87.053   12.957   90.002   11.390  111.495   8.5756  113.847   7.3827 -2.351883 11.31576 
1 1 1  -37   10   46 o  121.998   6.2689  104.290   10.214  102.856   13.328  106.330   15.900  121.343   8.1050  122.653   9.5659 -1.310455 12.53784 
1 1 1  -37   10   47 f   55.992   9.8370   24.016   7.3647   23.797   9.6599   24.319   11.381   56.012   12.980   55.971   14.785 0.4144287E-01 19.67402 
1 1 1  -37   10   48 o   69.886   10.834   35.058   10.261   35.058   10.261   0.0000   0.0000   69.886   10.834  ?   ?       ?      ? 
1 1 1  -37   10   49 o  147.431   7.6100  151.746   15.204  151.746   15.204   0.0000   0.0000  147.431   7.6100  ?   ?       ?      ? 
1 1 1  -37   10   50 o  119.789   6.4145  100.282   10.233   94.929   13.159  108.471   16.275  116.183   8.3577  123.394   9.7331 -7.210693 12.82901 
1 1 1  -37   10   51 o  126.345   7.6020  116.893   12.757  102.965   19.227  127.845   17.050  118.601   11.963  134.089   9.3829 -15.48743 15.20393 
1 1 1  -37   10   52 o   92.118   7.1748   59.324   8.8376   49.932   11.474   73.024   13.858   83.387   10.154  100.849   10.140 -17.46259 14.34968 
1 1 1  -37   10   53 o  106.636   6.8793   83.099   9.6389   90.583   12.610   72.580   14.950  113.359   8.2086   99.914   11.042 13.44497 13.75859 
1 1 1  -37   10   54 o   59.795   8.9770   25.809   7.3985   13.086   9.6563   43.894   11.513   41.923   14.237   77.667   10.939 -35.74435 17.95400 
1 1 1  -37   10   55 f   85.098   9.7445   58.736   10.212   41.123   15.837   71.273   13.361   70.695   16.782   99.501   9.9088 -28.80577 19.48895 
1 1 1  -37   10   56 o   68.885   10.271   39.729   9.3911   24.821   14.484   50.543   12.335   54.602   17.384   83.168   10.945 -28.56534 20.54242 
1 1 1  -37   10   57 o   63.210   13.977   31.518   11.655   0.0000   0.0000   31.518   11.655  ?   ?    63.210   13.977      ?      ? 
1 1 1  -37   10   58 f   33.577   10.037   3.6554   7.7555   0.8885   12.788   5.2650   9.7538   33.566   14.708   33.588   13.661 -0.2188110E-01 20.07381 
1 1 1  -37   10   59 o   51.596   10.277   21.547   8.8734   4.3065   13.362   35.150   11.868   36.262   15.454   66.930   13.550 -30.66837 20.55344 
1 1 1  -37   10   60 o   65.156   10.373   37.084   9.8011   15.494   14.992   53.199   12.952   45.549   17.415   84.763   11.276 -39.21422 20.74668 
1 1 1  -37   10   61 o   30.102   9.5437  -3.3127   7.9866   3.4856   12.575  -7.9089   10.340   34.815   14.919   25.389   11.906 9.426022 19.08743 
1 1 1  -37   10   62 o   75.933   15.602   47.337   15.518   47.337   15.518   0.0000   0.0000   75.933   15.602  ?   ?       ?      ? 
1 1 1  -37   10   63 o   59.584   17.246   30.842   14.722   30.842   14.722   0.0000   0.0000   59.584   17.246  ?   ?       ?      ? 
1 1 1  -37   10   64 o   47.150   11.534   16.331   9.1645   27.791   14.597   8.8757   11.774   56.324   17.384   37.976   15.163 18.34819 23.06771 
1 1 1  -37   10   65 o   93.832   9.5025   70.077   11.472   61.252   17.344   76.939   15.296   86.247   15.405  101.417   11.130 -15.16967 19.00498 
1 1 1  -37   10   66 o   34.945   10.438   4.8737   8.6128   0.4320   13.229   8.1420   11.347   33.071   14.704   36.820   14.820 -3.748787 20.87697 
1 1 1  -37   10   67 o   70.411   10.766   43.302   10.330   26.928   15.256   57.167   14.038   54.427   17.884   86.396   11.990 -31.96917 21.53115 
1 1 1  -37   10   68 o   78.468   10.903   53.394   11.203   36.472   16.330   68.440   15.399   62.707   18.167   94.229   12.059 -31.52257 21.80547 
1 1 1  -37   10   69 o   50.399   11.943   22.989   9.9183   16.832   14.741   28.081   13.407   44.837   17.238   55.961   16.533 -11.12365 23.88505 
1 1 1  -37   10   70 o   85.993   13.600   59.748   15.848   0.0000   0.0000   59.748   15.848  ?   ?    85.993   13.600      ?      ? 
1 1 1  -37   10   71 o   78.836   14.762   52.814   15.191   0.0000   0.0000   52.814   15.191  ?   ?    78.836   14.762      ?      ? 
1 1 1  -37   10   72 o   47.093   17.060   20.673   14.017   0.0000   0.0000   20.673   14.017  ?   ?    47.093   17.060      ?      ? 
1 1 1  -37   10   73 o   58.777   17.342   33.563   14.760   0.0000   0.0000   33.563   14.760  ?   ?    58.777   17.342      ?      ? 
1 1 1  -37   11    1 o   48.663   15.700   17.741   11.784   17.741   11.784   0.0000   0.0000   48.663   15.700  ?   ?       ?      ? 
1 1 1  -37   11    2 o  134.413   10.261  127.827   18.691  127.827   18.691   0.0000   0.0000  134.413   10.261  ?   ?       ?      ? 
1 1 1  -37   11    3 o  136.302   6.3628  132.469   10.966  122.905   18.906  137.318   13.461  131.677   10.595  140.927   7.0485 -9.250763 12.72560 
1 1 1  -37   11    4 o  112.266   5.9781   84.794   6.9966   92.806   16.717   83.092   7.7038  114.382   10.785  110.150   5.1610 4.232430 11.95625 
1 1 1  -37   11    5 o  107.582   6.6427   79.843   8.8372   84.444   16.405   77.962   10.489  109.008   11.106  106.156   7.2914 2.852051 13.28541 
1 1 1  -37   11    6 o  142.573   10.323  143.439   19.944  143.439   19.944   0.0000   0.0000  142.573   10.323  ?   ?       ?      ? 
1 1 1  -37   11    7 o  120.135   4.7870   98.544   7.6937   93.805   10.009  105.386   12.028  116.771   6.3253  123.499   7.1869 -6.727806 9.574013 
1 1 1  -37   11    8 o  149.025   4.9699  155.408   9.7973  164.734   12.794  142.185   15.234  154.843   6.0972  143.206   7.8501 11.63716 9.939811 
1 1 1  -37   11    9 o   86.795   6.8886   51.945   8.1022   51.945   8.1022   0.0000   0.0000   86.795   6.8886  ?   ?       ?      ? 
1 1 1  -37   11   10 o   84.142   5.4268   49.409   6.1284   52.981   8.3227   45.178   9.0575   87.639   7.0079   80.644   8.2880 6.994698 10.85364 
1 1 1  -37   11   11 o  102.387   5.0654   74.471   6.7309   81.321   8.6341   63.859   10.747  108.877   5.8519   95.896   8.2698 12.98113 10.13086 
1 1 1  -37   11   12 o  143.650   4.7661  142.909   8.8124  144.762   10.924  139.455   14.913  145.365   5.5454  141.936   7.7531 3.429260 9.532162 
1 1 1  -37   11   13 o  143.368   4.7448  139.533   8.7942  135.098   10.836  148.092   15.053  140.394   5.6955  146.342   7.5903 -5.948013 9.489558 
1 1 1  -37   11   14 o  108.492   5.1334   82.822   7.2266   87.373   9.1552   75.298   11.770  112.842   5.9871  104.142   8.3404 8.700211 10.26680 
1 1 1  -37   11   15 o   58.203   8.2774   24.808   6.2204   24.759   9.6813   24.842   8.1176   57.814   12.704   58.592   10.614 -0.7787476 16.55478 
1 1 1  -37   11   16 o  176.331   5.1637  224.225   11.420  244.209   14.138  186.712   19.371  188.838   5.5249  163.825   8.7253 25.01268 10.32739 
1 1 1  -37   11   17 o  190.363   4.8881  238.981   11.734  222.086   13.996  278.962   21.530  180.010   5.7375  200.717   7.9155 -20.70721 9.776175 
1 1 1  -37   11   18 o  127.946   5.4777  119.871   8.7945  135.663   11.056   92.665   14.512  140.675   5.7996  115.217   9.2942 25.45709 10.95532 
1 1 1  -37   11   19 o  143.389   4.9936  137.693   9.2501  129.041   11.318  155.094   16.052  137.116   6.0914  149.663   7.9144 -12.54749 9.987183 
1 1 1  -37   11   20 o  190.293   5.7946  248.242   14.943  248.242   14.943   0.0000   0.0000  190.293   5.7946  ?   ?       ?      ? 
1 1 1  -37   11   21 o  188.481   5.0395  238.068   12.045  226.115   14.495  264.744   21.654  181.576   5.8908  195.387   8.1783 -13.81084 10.07900 
1 1 1  -37   11   22 o   57.578   8.0862   23.560   6.0085   20.250   7.7486   28.552   9.5157   52.603   11.213   62.554   11.654 -9.950851 16.17239 
1 1 1  -37   11   23 o  103.014   5.8145   75.307   7.7447   80.041   9.7983   67.427   12.643  107.831   6.7054   98.197   9.5011 9.634361 11.62898 
1 1 1  -37   11   24 o  142.170   5.4789  144.937   9.8337  155.779   12.188  124.714   16.645  150.672   5.9692  133.669   9.1892 17.00290 10.95781 
1 1 1  -37   11   25 o  153.782   5.1306  158.978   10.104  150.693   12.270  176.427   17.807  148.139   6.1123  159.426   8.2422 -11.28687 10.26128 
1 1 1  -37   11   26 o  104.433   5.5047   71.394   7.5573   58.884   9.3996   94.264   12.709   92.280   7.5166  116.586   8.0442 -24.30652 11.00946 
1 1 1  -37   11   27 o   86.997   6.2021   53.429   7.0105   55.420   8.8536   50.083   11.479   89.567   7.2944   84.427   10.033 5.140404 12.40430 
1 1 1  -37   11   28 o   91.722   6.7268   58.999   8.3491   61.518   11.692   56.377   11.926   93.820   9.1962   89.623   9.8198 4.197075 13.45354 
1 1 1  -37   11   29 f  147.327   5.3850  151.821   10.122  155.076   12.466  145.522   17.341  150.226   6.1234  144.428   8.8599 5.798370 10.77006 
1 1 1  -37   11   30 o  111.422   5.7902   86.726   8.3957   87.960   10.553   84.597   13.859  112.914   6.8965  109.931   9.3029 2.982765 11.58034 
1 1 1  -37   11   31 o  138.226   5.3167  128.852   9.5620  120.602   11.802  144.613   16.313  132.303   6.5828  144.149   8.3509 -11.84596 10.63344 
1 1 1  -37   11   32 o  112.709   5.8527   90.944   8.4387   97.256   10.577   79.890   13.997  118.796   6.5702  106.622   9.6875 12.17389 11.70531 
1 1 1  -37   11   33 o  108.566   6.8923   81.393   10.140   81.393   10.140   0.0000   0.0000  108.566   6.8923  ?   ?       ?      ? 
1 1 1  -37   11   34 o  131.222   6.4522  118.669   11.474  118.669   11.474   0.0000   0.0000  131.222   6.4522  ?   ?       ?      ? 
1 1 1  -37   11   35 o  121.388   5.6143  101.285   8.7518   98.777   10.726  106.281   15.139  119.645   6.6152  123.131   9.0730 -3.486504 11.22855 
1 1 1  -37   11   36 o   46.771   9.4020   16.556   6.1884   17.567   7.8983   14.948   9.9590   48.513   12.065   45.029   14.423 3.484180 18.80400 
1 1 1  -37   11   37 o   40.063   9.4542   10.850   5.8881   8.8590   7.4398   14.188   9.6329   36.154   12.490   43.971   14.196 -7.816826 18.90842 
1 1 1  -37   11   38 o   41.497   9.3687   12.820   6.1660   16.136   7.7783   7.2118   10.115   46.422   12.204   36.572   14.219 9.849510 18.73750 
1 1 1  -37   11   39 o  101.909   6.3727   75.190   8.2101   79.923   10.162   66.294   13.931  107.404   6.9822   96.414   10.663 10.99073 12.74537 
1 1 1  -37   11   40 o   47.368   9.8007   17.110   7.0935   23.369   9.6065   9.6056   10.519   55.548   12.993   39.187   14.676 16.36090 19.60135 
1 1 1  -37   11   41 o   35.908   9.4559   7.2805   6.5668   12.266   8.6845   0.6236   10.035   41.080   13.493   30.736   13.251 10.34416 18.91179 
1 1 1  -37   11   42 o   56.119   10.994   23.816   8.5165   30.073   13.697   19.873   10.874   61.554   16.200   50.685   14.865 10.86943 21.98706 
1 1 1  -37   11   43 o   38.718   10.575   6.3390   7.9267   16.180   13.071   0.6147   9.9690   46.874   16.533   30.563   13.192 16.31143 21.15082 
1 1 1  -37   11   44 f   42.008   9.8204   12.934   6.7419   16.878   9.0508   8.0162   10.105   46.970   13.501   37.046   14.265 9.924202 19.64080 
1 1 1  -37   11   45 f   75.469   8.2780   39.936   7.9308   26.601   10.181   60.517   12.648   58.987   13.079   91.951   10.151 -32.96373 16.55595 
1 1 1  -37   11   46 o   42.812   10.814   11.547   8.0002   19.851   12.787   6.2062   10.255   50.260   16.366   35.364   14.140 14.89606 21.62865 
1 1 1  -37   11   47 o   30.356   9.5324  -1.4155   7.7221  -2.4560   12.213  -0.7225   9.9673   31.279   14.002   29.433   12.939 1.845886 19.06479 
1 1 1  -37   11   48 o   74.259   10.528   39.827   10.594   39.827   10.594   0.0000   0.0000   74.259   10.528  ?   ?       ?      ? 
1 1 1  -37   11   49 o   39.252   9.8795   10.343   6.6359   7.2982   8.7816   14.395   10.132   34.891   13.331   43.612   14.584 -8.720478 19.75906 
1 1 1  -37   11   50 o   54.585   11.001   24.082   8.4910   23.320   13.086   24.636   11.159   53.511   16.450   55.658   14.610 -2.146763 22.00134 
1 1 1  -37   11   51 o   91.851   9.2231   66.153   10.624   50.956   16.164   77.713   14.098   79.909   15.486  103.794   10.023 -23.88402 18.44628 
1 1 1  -37   11   52 o   69.451   10.021   42.253   9.3864   17.999   14.532   59.617   12.295   48.044   17.376   90.858   9.9861 -42.81433 20.04108 
1 1 1  -37   11   53 o   45.433   11.188   16.121   8.4204   12.828   14.192   17.909   10.461   43.376   16.848   47.490   14.726 -4.113972 22.37654 
1 1 1  -37   11   54 o   48.070   11.300   18.049   8.4154   21.343   13.656   16.031   10.685   50.928   16.929   45.212   14.972 5.715485 22.60008 
1 1 1  -37   11   55 o   39.457   10.584   10.500   7.9357   5.9215   12.637   13.481   10.197   36.759   15.309   42.155   14.619 -5.395916 21.16810 
1 1 1  -37   11   56 o   45.675   15.110   16.574   10.884   0.0000   0.0000   16.574   10.884  ?   ?    45.675   15.110      ?      ? 
1 1 1  -37   11   57 o   42.091   10.650   12.874   8.3699   3.1431   13.104   19.580   10.878   35.110   15.140   49.072   14.984 -13.96186 21.30081 
1 1 1  -37   11   58 o   58.638   10.787   29.310   8.9943   19.788   13.527   36.857   12.042   48.915   16.845   68.362   13.478 -19.44728 21.57334 
1 1 1  -37   11   59 o   79.528   9.8952   55.760   10.338   16.700   14.866   92.329   14.385   46.156   17.414  112.900   9.4020 -66.74431 19.79042 
1 1 1  -37   11   60 o   84.398   9.5542   56.626   10.393   48.171   15.494   63.542   14.013   76.483   15.480   92.312   11.202 -15.82915 19.10831 
1 1 1  -37   11   61 o   61.912   16.373   32.813   13.947   32.813   13.947   0.0000   0.0000   61.912   16.373  ?   ?       ?      ? 
1 1 1  -37   11   62 o   32.911   14.303   2.2399   11.878   2.2399   11.878   0.0000   0.0000   32.911   14.303  ?   ?       ?      ? 
1 1 1  -37   11   63 o   49.248   11.724   20.149   9.4386   27.570   14.065   14.069   12.731   55.824   17.036   42.671   16.111 13.15259 23.44789 
1 1 1  -37   11   64 f   69.799   11.169   42.008   10.668   31.392   15.407   51.784   14.785   58.646   17.815   80.951   13.478 -22.30476 22.33884 
1 1 1  -37   11   65 o   54.910   12.269   27.438   10.223   26.668   14.775   28.145   14.161   54.002   17.593   55.817   17.105 -1.814953 24.53701 
1 1 1  -37   11   66 o   62.971   11.887   35.834   10.418   31.367   14.944   40.056   14.531   58.256   17.512   67.687   16.080 -9.431274 23.77452 
1 1 1  -37   11   67 f   54.830   11.784   27.057   10.164   16.172   14.135   38.709   14.625   43.874   16.877   65.786   16.449 -21.91159 23.56701 
1 1 1  -37   11   68 o   36.811   10.952   7.3780   9.4147   3.0858   13.266   11.733   13.363   33.814   14.894   39.808   16.062 -5.994297 21.90477 
1 1 1  -37   11   69 o   44.227   16.789   17.390   13.872   0.0000   0.0000   17.390   13.872  ?   ?    44.227   16.789      ?      ? 
1 1 1  -37   11   70 o   61.116   17.214   35.867   14.864   0.0000   0.0000   35.867   14.864  ?   ?    61.116   17.214      ?      ? 
1 1 1  -37   11   71 o   32.423   14.584   1.6558   13.426   0.0000   0.0000   1.6558   13.426  ?   ?    32.423   14.584      ?      ? 
1 1 1  -37   11   72 o   32.875   14.722   2.8646   13.514   0.0000   0.0000   2.8646   13.514  ?   ?    32.875   14.722      ?      ? 
1 1 1  -37   11   73 o   32.334   14.554   2.5916   13.396   0.0000   0.0000   2.5916   13.396  ?   ?    32.334   14.554      ?      ? 
1 1 1  -37   12    1 o   41.475   12.861   12.817   7.9788   12.817   7.9788   0.0000   0.0000   41.475   12.861  ?   ?       ?      ? 
1 1 1  -37   12    2 o   67.004   9.9902   31.992   9.0711   31.992   9.0711   0.0000   0.0000   67.004   9.9902  ?   ?       ?      ? 
1 1 1  -37   12    3 o   82.737   8.7680   48.194   9.8307   48.194   9.8307   0.0000   0.0000   82.737   8.7680  ?   ?       ?      ? 
1 1 1  -37   12    4 o  100.947   8.1895   71.356   11.203   71.356   11.203   0.0000   0.0000  100.947   8.1895  ?   ?       ?      ? 
1 1 1  -37   12    5 o  103.491   7.9722   74.832   11.181   74.832   11.181   0.0000   0.0000  103.491   7.9722  ?   ?       ?      ? 
1 1 1  -37   12    6 o  107.211   8.0702   80.329   11.725   80.329   11.725   0.0000   0.0000  107.211   8.0702  ?   ?       ?      ? 
1 1 1  -37   12    7 o   95.982   8.4179   64.524   10.949   64.524   10.949   0.0000   0.0000   95.982   8.4179  ?   ?       ?      ? 
1 1 1  -37   12    8 o   77.284   9.5963   42.217   10.050   42.217   10.050   0.0000   0.0000   77.284   9.5963  ?   ?       ?      ? 
1 1 1  -37   12    9 o   66.479   6.9327   30.611   6.2455   30.611   6.2455   0.0000   0.0000   66.479   6.9327  ?   ?       ?      ? 
1 1 1  -37   12   10 o  117.918   4.8774   98.621   7.4031  104.809   9.3161   88.019   12.195  123.499   5.5666  112.337   8.0107 11.16209 9.754889 
1 1 1  -37   12   11 o  164.843   4.8256  188.607   10.168  189.886   12.497  186.103   17.492  166.250   5.5469  163.436   7.8980 2.814529 9.651267 
1 1 1  -37   12   12 o  138.673   4.7663  131.416   8.5664  127.788   10.598  138.251   14.549  136.327   5.7369  141.019   7.6132 -4.691498 9.532685 
1 1 1  -37   12   13 o   55.213   6.8328   21.764   4.9657   21.362   6.6223   22.279   7.5053   55.194   8.8539   55.232   10.409 -0.3803253E-01 13.66558 
1 1 1  -37   12   14 o   63.551   6.1957   28.197   5.2963   27.502   7.0391   29.103   8.0407   62.764   8.2760   64.338   9.2224 -1.573414 12.39133 
1 1 1  -37   12   15 o   97.015   6.1758   65.363   8.0331   79.847   11.909   53.273   10.881  106.977   8.2152   87.054   9.2236 19.92313 12.35169 
1 1 1  -37   12   16 o   86.570   5.5240   51.661   6.4084   49.092   8.3753   55.289   9.9533   84.129   7.3463   89.012   8.2516 -4.882454 11.04794 
1 1 1  -37   12   17 o   79.809   5.6651   43.402   6.0523   35.697   7.9578   53.973   9.3214   71.536   8.2090   88.083   7.8092 -16.54676 11.33011 
1 1 1  -37   12   18 o   80.767   5.9043   45.819   6.3398   47.092   8.2803   44.016   9.8558   82.382   7.4170   79.151   9.1886 3.231171 11.80859 
1 1 1  -37   12   19 o   75.543   6.1933   40.188   6.1770   41.035   7.9489   38.896   9.8141   76.849   7.6329   74.238   9.7554 2.610977 12.38662 
1 1 1  -37   12   20 o  102.982   6.7474   73.290   9.4163   73.290   9.4163   0.0000   0.0000  102.982   6.7474  ?   ?       ?      ? 
1 1 1  -37   12   21 o   80.741   6.1458   46.836   6.5076   52.200   8.5498   39.450   10.033   86.771   7.2711   74.711   9.9103 12.06086 12.29153 
1 1 1  -37   12   22 o   88.414   5.6314   53.025   6.6315   47.166   8.4768   62.268   10.647   82.394   7.5920   94.435   8.3195 -12.04103 11.26286 
1 1 1  -37   12   23 o   52.201   8.3355   20.171   5.7129   19.439   7.5543   21.149   8.7315   51.266   11.188   53.135   12.359 -1.868595 16.67106 
1 1 1  -37   12   24 o   48.276   8.5517   17.797   5.6269   20.618   7.4723   14.102   8.5519   52.960   10.778   43.591   13.280 9.369598 17.10330 
1 1 1  -37   12   25 o  134.024   5.3684  125.215   9.2363  126.017   11.403  123.685   15.750  135.205   6.2236  132.844   8.7491 2.361298 10.73684 
1 1 1  -37   12   26 o  160.597   5.1859  176.007   10.644  170.171   12.955  188.135   18.674  157.164   6.0827  164.029   8.4010 -6.864655 10.37187 
1 1 1  -37   12   27 o  115.436   5.4022   88.216   8.1068   77.945   9.9242  108.815   14.054  106.104   6.9021  124.768   8.3124 -18.66429 10.80437 
1 1 1  -37   12   28 o   78.293   7.3836   43.562   7.8107   39.224   10.835   48.256   11.270   74.114   10.788   82.471   10.084 -8.357574 14.76719 
1 1 1  -37   12   29 o   77.257   6.5845   41.129   6.6906   38.314   8.3847   46.064   11.101   73.993   8.3621   80.521   10.173 -6.527443 13.16894 
1 1 1  -37   12   30 o   87.948   6.1416   51.963   7.0926   45.490   8.8065   63.912   11.965   80.702   8.0525   95.194   9.2754 -14.49148 12.28319 
1 1 1  -37   12   31 o  103.579   5.8359   74.388   7.8886   72.533   9.8571   77.693   13.156  102.223   7.1157  104.935   9.2520 -2.712433 11.67188 
1 1 1  -37   12   32 o   95.617   6.4009   63.846   8.2340   59.767   10.887   69.297   12.587   92.218   8.7117   99.016   9.3804 -6.797905 12.80178 
1 1 1  -37   12   33 o  105.848   8.3313   78.543   11.950   78.543   11.950   0.0000   0.0000  105.848   8.3313  ?   ?       ?      ? 
1 1 1  -37   12   34 o   80.202   9.4678   45.569   10.290   45.569   10.290   0.0000   0.0000   80.202   9.4678  ?   ?       ?      ? 
1 1 1  -37   12   35 o   77.179   7.2008   42.525   7.4878   42.513   10.076   42.540   11.190   77.382   9.6088   76.975   10.727 0.4068146 14.40161 
1 1 1  -37   12   36 o   35.988   9.2632   7.2988   6.3154   13.570   8.8302   0.7318   9.0359   42.645   13.573   29.330   12.610 13.31461 18.52649 
1 1 1  -37   12   37 o   51.976   9.2644   21.021   6.7035   26.863   9.2606   14.591   9.7161   59.887   11.831   44.064   14.260 15.82251 18.52885 
1 1 1  -37   12   38 f   80.048   7.2574   46.173   7.8043   48.281   10.545   43.619   11.605   82.416   9.4417   77.679   11.024 4.736809 14.51484 
1 1 1  -37   12   39 o   60.349   8.8826   27.457   7.0178   24.339   9.5310   31.149   10.372   56.450   12.759   64.248   12.361 -7.798084 17.76523 
1 1 1  -37   12   40 o   37.045   9.6394   8.9392   6.3512   8.1278   8.6374   9.8943   9.3713   35.791   13.320   38.298   13.938 -2.507011 19.27890 
1 1 1  -37   12   41 o   37.512   9.9653   8.4897   7.3838  -1.0242   12.387   13.733   9.1962   32.317   14.305   42.708   13.878 -10.39115 19.93063 
1 1 1  -37   12   42 o   76.088   11.281   42.217   11.632   0.0000   0.0000   42.217   11.632  ?   ?    76.088   11.281      ?      ? 
1 1 1  -37   12   43 o   69.609   8.1535   35.307   7.4529   29.431   9.9049   42.975   11.315   62.304   12.168   76.915   10.856 -14.61042 16.30691 
1 1 1  -37   12   44 o   90.140   6.9720   58.704   8.3922   60.497   11.095   56.307   12.830   92.247   8.8755   88.033   10.754 4.213692 13.94392 
1 1 1  -37   12   45 o   57.710   10.545   27.973   8.4842   19.427   13.724   33.260   10.794   49.401   16.970   66.019   12.523 -16.61760 21.09051 
1 1 1  -37   12   46 o  117.110   7.7602  102.577   11.952   84.068   17.944  117.339   16.024  106.134   12.476  128.086   9.2321 -21.95242 15.52034 
1 1 1  -37   12   47 o  101.825   12.496   77.557   17.243   77.557   17.243   0.0000   0.0000  101.825   12.496  ?   ?       ?      ? 
1 1 1  -37   12   48 o   53.117   11.276   22.867   8.7487   26.210   13.087   20.166   11.764   56.296   16.250   49.939   15.638 6.357227 22.55222 
1 1 1  -37   12   49 o   37.596   10.284   7.0685   7.6764   15.256   11.856   1.1596   10.073   44.577   15.743   30.615   13.238 13.96177 20.56878 
1 1 1  -37   12   50 o   71.475   10.043   40.767   9.3500   36.180   14.496   44.035   12.235   65.998   16.304   76.952   11.733 -10.95415 20.08678 
1 1 1  -37   12   51 o   49.561   10.900   20.442   8.4142   13.662   13.254   25.019   10.890   43.377   16.424   55.745   14.335 -12.36883 21.80048 
1 1 1  -37   12   52 o   55.474   10.392   26.570   8.6532   12.894   13.567   35.950   11.235   42.765   16.511   68.183   12.625 -25.41817 20.78467 
1 1 1  -37   12   53 o   54.667   11.353   24.832   8.8677   26.320   13.822   23.792   11.561   55.584   16.871   53.749   15.196 1.835022 22.70563 
1 1 1  -37   12   54 o   79.772   9.5921   49.401   9.9515   51.023   15.596   48.286   12.924   79.379   15.050   80.165   11.897 -0.7860870 19.18421 
1 1 1  -37   12   55 o   86.222   11.724   55.820   13.698   0.0000   0.0000   55.820   13.698  ?   ?    86.222   11.724      ?      ? 
1 1 1  -37   12   56 o   34.138   14.068   5.4759   10.515   0.0000   0.0000   5.4759   10.515  ?   ?    34.138   14.068      ?      ? 
1 1 1  -37   12   57 f   47.789   11.250   18.185   8.6378   25.301   13.152   12.789   11.454   54.261   16.455   41.316   15.346 12.94431 22.50029 
1 1 1  -37   12   58 o   50.080   10.246   19.535   8.9084   2.1623   12.801   35.851   12.405   33.770   14.758   66.390   14.217 -32.61971 20.49245 
1 1 1  -37   12   59 o   67.791   11.018   38.449   10.004   49.054   14.773   29.465   13.597   77.440   14.613   58.141   16.494 19.29900 22.03633 
1 1 1  -37   12   60 o   43.274   11.521   14.453   9.4249   9.1873   13.477   19.494   13.185   38.861   15.961   47.687   16.619 -8.825653 23.04208 
1 1 1  -37   12   61 f   41.817   16.275   13.277   13.264   13.277   13.264   0.0000   0.0000   41.817   16.275  ?   ?       ?      ? 
1 1 1  -37   12   62 o   40.409   11.253   12.036   9.0453   12.261   13.151   11.834   12.461   40.729   16.099   40.089   15.727 0.6392174 22.50624 
1 1 1  -37   12   63 o   36.230   10.698   7.1032   8.8207   4.4331   12.552   9.7086   12.399   34.355   14.816   38.106   15.437 -3.750664 21.39690 
1 1 1  -37   12   64 o   34.520   10.492   4.9049   8.8648   3.2060   12.493   6.6276   12.581   33.339   14.575   35.701   15.096 -2.362816 20.98380 
1 1 1  -37   12   65 o   37.229   10.553   6.6778   8.9243   18.687   12.824  -4.5992   12.427   45.664   16.346   28.794   13.352 16.86974 21.10629 
1 1 1  -37   12   66 o   42.366   11.385   14.936   9.3578   8.4984   13.320   21.209   13.149   37.015   15.586   47.716   16.598 -10.70049 22.76919 
1 1 1  -37   12   67 o   28.660   9.3804  -3.7521   8.6285  -5.1700   12.303  -2.3794   12.105   28.083   13.110   29.238   13.420 -1.154554 18.76078 
1 1 1  -37   12   68 o   57.150   17.014   32.000   14.157   0.0000   0.0000   32.000   14.157  ?   ?    57.150   17.014      ?      ? 
1 1 1  -37   12   69 o   27.135   12.835  -6.9794   12.487   0.0000   0.0000  -6.9794   12.487  ?   ?    27.135   12.835      ?      ? 
1 1 1  -37   12   70 o   22.722   11.191 -18.3258   12.207   0.0000   0.0000 -18.3258   12.207  ?   ?    22.722   11.191      ?      ? 
1 1 1  -37   12   71 o   40.288   16.359   15.296   13.957   0.0000   0.0000   15.296   13.957  ?   ?    40.288   16.359      ?      ? 
1 1 1  -37   12   72 o   47.489   17.376   25.046   14.592   0.0000   0.0000   25.046   14.592  ?   ?    47.489   17.376      ?      ? 
1 1 1  -37   13    1 o   84.218   12.196   52.558   13.919   52.558   13.919   0.0000   0.0000   84.218   12.196  ?   ?       ?      ? 
1 1 1  -37   13    2 o  109.830   11.077   87.959   16.487   87.959   16.487   0.0000   0.0000  109.830   11.077  ?   ?       ?      ? 
1 1 1  -37   13    3 o   88.811   8.7059   55.923   10.478   55.923   10.478   0.0000   0.0000   88.811   8.7059  ?   ?       ?      ? 
1 1 1  -37   13    4 o   29.823   12.378   2.8268   8.2219   2.8268   8.2219   0.0000   0.0000   29.823   12.378  ?   ?       ?      ? 
1 1 1  -37   13    5 o   88.804   9.0880   56.068   10.937   56.068   10.937   0.0000   0.0000   88.804   9.0880  ?   ?       ?      ? 
1 1 1  -37   13    6 o   89.207   8.9006   56.439   10.760   56.439   10.760   0.0000   0.0000   89.207   8.9006  ?   ?       ?      ? 
1 1 1  -37   13    7 o   33.564   12.925   6.4146   8.2970   6.4146   8.2970   0.0000   0.0000   33.564   12.925  ?   ?       ?      ? 
1 1 1  -37   13    8 o   27.555   11.825   0.6916   7.9200   0.6916   7.9200   0.0000   0.0000   27.555   11.825  ?   ?       ?      ? 
1 1 1  -37   13    9 o   52.796   12.884   21.404   9.1363   21.404   9.1363   0.0000   0.0000   52.796   12.884  ?   ?       ?      ? 
1 1 1  -37   13   10 o   29.932   12.559   2.2891   8.5983   2.2891   8.5983   0.0000   0.0000   29.932   12.559  ?   ?       ?      ? 
1 1 1  -37   13   11 o   55.609   12.966   23.705   9.5911   23.705   9.5911   0.0000   0.0000   55.609   12.966  ?   ?       ?      ? 
1 1 1  -37   13   12 o   70.449   10.946   35.873   10.450   35.873   10.450   0.0000   0.0000   70.449   10.946  ?   ?       ?      ? 
1 1 1  -37   13   13 o   46.859   16.407   16.465   12.858   16.465   12.858   0.0000   0.0000   46.859   16.407  ?   ?       ?      ? 
1 1 1  -37   13   14 o   99.060   12.233   71.970   16.422   71.970   16.422   0.0000   0.0000   99.060   12.233  ?   ?       ?      ? 
1 1 1  -37   13   15 o   89.870   7.8066   58.773   8.7958   57.162   15.536   59.533   10.670   87.836   13.052   91.903   8.5678 -4.066879 15.61324 
1 1 1  -37   13   16 f  107.620   7.2550   84.478   9.9161   78.178   16.882   87.796   12.252  103.389   12.050  111.851   8.0834 -8.461502 14.50996 
1 1 1  -37   13   17 o   80.120   6.1529   45.061   6.6633   41.492   9.0637   49.258   9.8295   76.678   8.7227   83.563   8.6803 -6.884933 12.30584 
1 1 1  -37   13   18 o   58.901   7.7512   25.550   6.0210   21.676   8.5190   29.417   8.5111   53.564   12.030   64.238   9.7771 -10.67458 15.50234 
1 1 1  -37   13   19 o   72.141   7.1242   37.567   6.5792   26.830   8.9785   50.018   9.6684   59.995   11.462   84.288   8.4646 -24.29360 14.24835 
1 1 1  -37   13   20 o   78.771   8.5905   43.735   9.1699   43.735   9.1699   0.0000   0.0000   78.771   8.5905  ?   ?       ?      ? 
1 1 1  -37   13   21 o  109.069   5.6664   83.013   8.3347   79.368   11.160   87.611   12.533  106.502   7.7325  111.635   8.2848 -5.132935 11.33272 
1 1 1  -37   13   22 o   86.336   6.2494   52.678   7.3039   52.848   10.112   52.492   10.561   86.569   8.6197   86.104   9.0511 0.4653625 12.49888 
1 1 1  -37   13   23 o   86.773   6.3772   52.571   7.2722   37.049   9.7201   72.304   10.960   72.003   9.9618  101.542   7.9649 -29.53841 12.75449 
1 1 1  -37   13   24 o   59.505   7.9852   26.077   6.2903   22.461   8.7712   29.906   9.0260   54.449   12.191   64.560   10.317 -10.11056 15.97041 
1 1 1  -37   13   25 o   86.990   6.5806   54.395   7.6411   62.758   10.602   45.354   11.023   94.451   8.2831   79.529   10.228 14.92209 13.16125 
1 1 1  -37   13   26 o   50.195   9.1763   19.365   6.2974   18.088   8.9509   20.616   8.8615   48.480   13.248   51.909   12.701 -3.429207 18.35264 
1 1 1  -37   13   27 o   44.137   10.184   15.227   7.1615   7.9832   13.005   18.380   8.5795   39.309   15.851   48.965   12.790 -9.655689 20.36724 
1 1 1  -37   13   28 o   43.719   10.223   14.795   7.1282   8.4750   12.947   17.544   8.5389   39.627   15.873   47.810   12.887 -8.183308 20.44547 
1 1 1  -37   13   29 o   42.129   9.2177   12.978   6.0505   18.429   8.6953   7.8608   8.4244   48.953   12.919   35.306   13.151 13.64685 18.43534 
1 1 1  -37   13   30 o   23.585   7.5482  -3.9070   5.3327  -8.4401   7.8812  -0.0792   7.2423   21.361   10.131   25.809   11.192 -4.447302 15.09646 
1 1 1  -37   13   31 o   75.711   7.5319   42.448   7.3587   51.029   10.279   33.428   10.539   84.805   8.9446   66.617   12.121 18.18834 15.06385 
1 1 1  -37   13   32 o   90.020   6.5420   57.286   7.9505   52.473   10.706   63.203   11.871   85.859   9.2018   94.180   9.3014 -8.320763 13.08392 
1 1 1  -37   13   33 o   34.597   13.090   7.3104   8.4139   7.3104   8.4139   0.0000   0.0000   34.597   13.090  ?   ?       ?      ? 
1 1 1  -37   13   34 o   86.664   6.7045   53.063   7.8243   46.184   10.473   61.753   11.771   80.314   9.6223   93.015   9.3389 -12.70092 13.40908 
1 1 1  -37   13   35 o   77.363   7.0029   42.512   7.2955   37.082   9.7574   49.395   10.987   71.769   10.033   82.957   9.7729 -11.18768 14.00579 
1 1 1  -37   13   36 o   65.869   8.2234   32.040   6.9993   21.275   9.4123   45.356   10.469   52.252   13.268   79.486   9.7189 -27.23413 16.44686 
1 1 1  -37   13   37 o   33.829   9.6266   2.6753   6.8267   12.508   11.433  -2.7728   8.5104   41.925   15.374   25.733   11.590 16.19248 19.25323 
1 1 1  -37   13   38 o   54.696   10.469   23.615   7.8049   25.722   12.531   22.280   9.9761   56.192   15.798   53.200   13.741 2.991970 20.93778 
1 1 1  -37   13   39 o   42.123   10.601   13.099   7.5134   11.572   12.475   13.969   9.4120   41.489   15.880   42.757   14.047 -1.267998 21.20110 
1 1 1  -37   13   40 o   81.595   9.1861   52.351   9.4005   42.932   14.801   58.719   12.170   73.041   15.437   90.149   9.9622 -17.10790 18.37225 
1 1 1  -37   13   41 o   52.600   14.008   21.991   10.163   0.0000   0.0000   21.991   10.163  ?   ?    52.600   14.008      ?      ? 
1 1 1  -37   13   42 o   33.012   9.2511   3.3928   7.0621  -9.0050   11.120   11.772   9.1423   26.109   12.277   39.915   13.843 -13.80621 18.50228 
1 1 1  -37   13   43 o   48.121   10.861   18.310   7.9076   21.011   12.267   16.390   10.344   50.674   15.984   45.568   14.710 5.105999 21.72265 
1 1 1  -37   13   44 o  115.794   7.6340   99.808   11.756   86.357   17.469  110.945   15.894  107.519   11.989  124.069   9.4535 -16.55000 15.26806 
1 1 1  -37   13   45 o  117.323   7.8804  104.574   11.971   74.059   17.314  132.523   16.569   98.724   12.941  135.921   8.9958 -37.19656 15.76080 
1 1 1  -37   13   46 o   32.978   14.237   2.1657   11.614   2.1657   11.614   0.0000   0.0000   32.978   14.237  ?   ?       ?      ? 
1 1 1  -37   13   47 o   49.193   16.222   19.945   12.548   19.945   12.548   0.0000   0.0000   49.193   16.222  ?   ?       ?      ? 
1 1 1  -37   13   48 o   57.826   9.8824   27.750   8.8950   9.3013   13.113   43.475   12.106   39.448   15.913   76.204   11.723 -36.75637 19.76481 
1 1 1  -37   13   49 o   53.179   11.037   23.945   8.7972   16.825   13.097   29.798   11.875   45.912   16.510   60.446   14.650 -14.53324 22.07323 
1 1 1  -37   13   50 o   37.386   10.483   8.5531   7.8424   8.5073   12.102   8.5862   10.297   37.990   15.300   36.783   14.333 1.207062 20.96532 
1 1 1  -37   13   51 o   45.236   11.105   16.494   8.2750   15.991   12.848   16.850   10.817   44.888   16.323   45.584   15.063 -0.6957550 22.21076 
1 1 1  -37   13   52 o   67.593   10.395   38.258   9.4422   28.285   14.088   46.393   12.723   56.971   16.975   78.216   12.003 -21.24526 20.79030 
1 1 1  -37   13   53 o   55.419   11.309   26.648   9.0745   22.419   13.829   29.847   12.026   50.891   17.038   59.948   14.874 -9.056274 22.61764 
1 1 1  -37   13   54 o   68.658   14.624   38.767   13.189   0.0000   0.0000   38.767   13.189  ?   ?    68.658   14.624      ?      ? 
1 1 1  -37   13   55 o   83.292   12.538   53.652   14.152   0.0000   0.0000   53.652   14.152  ?   ?    83.292   12.538      ?      ? 
1 1 1  -37   13   56 f   42.238   10.855   12.975   8.8424   2.5237   12.905   22.226   12.140   33.802   14.794   50.675   15.889 -16.87284 21.70999 
1 1 1  -37   13   57 o   56.191   11.504   28.223   9.3772   24.097   14.050   31.538   12.592   51.705   17.171   60.677   15.313 -8.972179 23.00737 
1 1 1  -37   13   58 o   39.242   10.621   8.0444   8.5295   21.600   13.169  -1.7526   11.195   49.242   16.626   29.243   13.220 19.99968 21.24179 
1 1 1  -37   13   59 f   36.153   10.545   7.6140   8.3772   9.5302   12.097   5.8481   11.613   37.750   15.264   34.557   14.552 3.193069 21.08928 
1 1 1  -37   13   60 o   39.228   15.763   11.172   12.813   11.172   12.813   0.0000   0.0000   39.228   15.763  ?   ?       ?      ? 
1 1 1  -37   13   61 f   55.567   11.208   28.397   9.6245   16.130   13.870   39.789   13.366   43.323   16.704   67.811   14.948 -24.48795 22.41529 
1 1 1  -37   13   62 o   39.595   10.665   10.382   8.9363  -1.8282   12.797   22.003   12.484   30.391   13.893   48.800   16.185 -18.40883 21.33020 
1 1 1  -37   13   63 o   36.271   10.789   8.1605   9.0343   9.9407   12.764   6.3733   12.789   37.531   15.487   35.012   15.025 2.519775 21.57824 
1 1 1  -37   13   64 o   36.440   10.176   3.6448   9.0896 -15.1460   12.902   22.163   12.808   24.783   12.055   48.097   16.396 -23.31442 20.35110 
1 1 1  -37   13   65 o   44.908   11.472   17.669   9.5929   29.840   14.231   7.5324   12.987   54.430   17.221   35.386   15.162 19.04376 22.94481 
1 1 1  -37   13   66 o   26.425   8.8600  -7.3102   8.5245  -8.8525   12.129  -5.8049   11.983   25.869   12.353   26.981   12.704 -1.111790 17.72004 
1 1 1  -37   13   67 o   35.091   15.046   8.1579   12.804   0.0000   0.0000   8.1579   12.804  ?   ?    35.091   15.046      ?      ? 
1 1 1  -37   13   68 o   36.221   15.317   10.251   12.951   0.0000   0.0000   10.251   12.951  ?   ?    36.221   15.317      ?      ? 
1 1 1  -37   13   69 o   49.201   17.499   27.402   14.674   0.0000   0.0000   27.402   14.674  ?   ?    49.201   17.499      ?      ? 
1 1 1  -37   14    1 o   41.598   15.716   12.261   12.119   12.261   12.119   0.0000   0.0000   41.598   15.716  ?   ?       ?      ? 
1 1 1  -37   14    2 o   39.400   15.297   10.068   11.695   10.068   11.695   0.0000   0.0000   39.400   15.297  ?   ?       ?      ? 
1 1 1  -37   14    3 o   38.549   15.303   8.8785   11.928   8.8785   11.928   0.0000   0.0000   38.549   15.303  ?   ?       ?      ? 
1 1 1  -37   14    4 o   43.103   15.962   13.626   12.374   13.626   12.374   0.0000   0.0000   43.103   15.962  ?   ?       ?      ? 
1 1 1  -37   14    5 o   72.411   15.017   42.062   14.253   42.062   14.253   0.0000   0.0000   72.411   15.017  ?   ?       ?      ? 
1 1 1  -37   14    6 o   57.975   16.404   27.958   13.467   27.958   13.467   0.0000   0.0000   57.975   16.404  ?   ?       ?      ? 
1 1 1  -37   14    7 o   33.078   14.380   1.3913   12.014   1.3913   12.014   0.0000   0.0000   33.078   14.380  ?   ?       ?      ? 
1 1 1  -37   14    8 o   68.220   15.496   37.704   13.999   37.704   13.999   0.0000   0.0000   68.220   15.496  ?   ?       ?      ? 
1 1 1  -37   14    9 o   36.753   15.184   6.1098   12.290   6.1098   12.290   0.0000   0.0000   36.753   15.184  ?   ?       ?      ? 
1 1 1  -37   14   10 o   40.829   15.799   10.905   12.442   10.905   12.442   0.0000   0.0000   40.829   15.799  ?   ?       ?      ? 
1 1 1  -37   14   11 o   38.988   15.541   8.8050   12.350   8.8050   12.350   0.0000   0.0000   38.988   15.541  ?   ?       ?      ? 
1 1 1  -37   14   12 o   81.987   13.220   50.812   14.688   50.812   14.688   0.0000   0.0000   81.987   13.220  ?   ?       ?      ? 
1 1 1  -37   14   13 o   30.475   13.631  -1.9987   11.551  -1.9987   11.551   0.0000   0.0000   30.475   13.631  ?   ?       ?      ? 
1 1 1  -37   14   14 f   73.553   15.035   43.083   14.481   43.083   14.481   0.0000   0.0000   73.553   15.035  ?   ?       ?      ? 
1 1 1  -37   14   15 o  106.638   12.060   84.383   17.427   84.383   17.427   0.0000   0.0000  106.638   12.060  ?   ?       ?      ? 
1 1 1  -37   14   16 o   69.751   15.961   39.539   14.760   39.539   14.760   0.0000   0.0000   69.751   15.961  ?   ?       ?      ? 
1 1 1  -37   14   17 o   47.100   16.272   17.345   12.627   17.345   12.627   0.0000   0.0000   47.100   16.272  ?   ?       ?      ? 
1 1 1  -37   14   18 f   45.972   16.056   16.290   12.310   16.290   12.310   0.0000   0.0000   45.972   16.056  ?   ?       ?      ? 
1 1 1  -37   14   19 o   61.797   16.457   31.508   14.027   31.508   14.027   0.0000   0.0000   61.797   16.457  ?   ?       ?      ? 
1 1 1  -37   14   20 o   42.358   15.522   12.906   11.651   12.906   11.651   0.0000   0.0000   42.358   15.522  ?   ?       ?      ? 
1 1 1  -37   14   21 o   86.144   8.4773   52.640   9.8962   52.640   9.8962   0.0000   0.0000   86.144   8.4773  ?   ?       ?      ? 
1 1 1  -37   14   22 o   92.531   6.1717   60.401   7.7038   55.584   10.315   66.475   11.585   88.456   8.6054   96.606   8.8490 -8.149849 12.34332 
1 1 1  -37   14   23 o   34.025   8.9682   7.0680   5.6297   9.9344   8.1005   4.3901   7.8296   37.320   13.025   30.731   12.331 6.588884 17.93640 
1 1 1  -37   14   24 o   30.280   8.2388   3.4327   5.2525  -2.9567   7.4399   9.7822   7.4166   23.783   10.762   36.777   12.477 -12.99347 16.47760 
1 1 1  -37   14   25 o   32.712   9.2133   5.2708   6.2649   0.7647   10.099   8.0893   7.9875   30.447   13.210   34.978   12.847 -4.530832 18.42654 
1 1 1  -37   14   26 o   45.155   9.3786   16.389   6.8497   5.3720   10.958   23.454   8.7752   34.968   14.381   55.342   12.043 -20.37413 18.75723 
1 1 1  -37   14   27 o   26.253   11.477  -0.3511   7.7480   0.0000   0.0000  -0.3511   7.7480  ?   ?    26.253   11.477      ?      ? 
1 1 1  -37   14   28 o   44.469   10.330   15.019   7.0347   17.121   11.452   13.745   8.9149   46.595   15.503   42.344   13.655 4.250687 20.65959 
1 1 1  -37   14   29 o   68.435   9.0847   36.151   7.9967   33.794   12.734   37.686   10.275   64.954   14.797   71.917   10.544 -6.963020 18.16944 
1 1 1  -37   14   30 o   55.750   9.8262   25.775   7.4808   18.692   12.029   30.242   9.5528   48.275   15.881   63.225   11.576 -14.94966 19.65242 
1 1 1  -37   14   31 o   54.861   9.9256   25.020   7.5636   17.635   12.023   29.856   9.7301   47.112   15.887   62.611   11.903 -15.49917 19.85125 
1 1 1  -37   14   32 o   73.411   13.732   42.148   13.158   42.148   13.158   0.0000   0.0000   73.411   13.732  ?   ?       ?      ? 
1 1 1  -37   14   33 o   20.995   7.0468 -10.7250   5.8253 -25.2740   9.7997  -2.7749   7.2441   18.482   9.2529   23.509   10.631 -5.026201 14.09357 
1 1 1  -37   14   34 o   48.579   10.255   19.420   7.5396   12.994   11.913   23.713   9.7381   42.274   15.660   54.884   13.245 -12.61079 20.51017 
1 1 1  -37   14   35 o   42.206   9.9554   10.131   7.3965   24.757   11.774   0.5964   9.5064   54.999   15.261   29.413   12.789 25.58604 19.91077 
1 1 1  -37   14   36 o   38.976   10.348   9.1376   7.4526   16.091   11.797   4.5197   9.6139   45.267   15.723   32.686   13.459 12.58092 20.69694 
1 1 1  -37   14   37 o   32.188   9.6328   2.6480   7.1132   5.9640   11.364   0.5121   9.1207   35.578   14.640   28.798   12.524 6.780338 19.26565 
1 1 1  -37   14   38 o   35.685   10.044   5.5979   7.3261   12.931   11.692   0.8584   9.4001   41.960   15.520   29.411   12.752 12.54829 20.08750 
1 1 1  -37   14   39 o   37.113   10.196   7.6908   7.3985   13.448   11.464   3.5815   9.6855   42.340   15.415   31.887   13.351 10.45379 20.39294 
1 1 1  -37   14   40 o   46.075   14.484   17.030   10.081   0.0000   0.0000   17.030   10.081  ?   ?    46.075   14.484      ?      ? 
1 1 1  -37   14   41 o   35.099   8.7073   2.0006   7.2626 -21.5793   11.210   19.058   9.5342   21.488   10.609   48.710   13.810 -27.22243 17.41459 
1 1 1  -37   14   42 o   27.570   8.7952  -2.5970   6.9744  -6.4139   11.007  -0.0369   9.0148   27.005   12.538   28.135   12.338 -1.129797 17.59043 
1 1 1  -37   14   43 o   44.916   10.627   16.307   7.8349   11.338   12.047   19.949   10.314   40.386   15.569   49.446   14.470 -9.059666 21.25500 
1 1 1  -37   14   44 o   32.348   9.7117   3.3470   7.3568   1.5205   11.634   4.5641   9.4968   32.334   14.102   32.362   13.357 -0.2721786E-01 19.42347 
1 1 1  -37   14   45 o   46.370   16.135   17.616   12.426   17.616   12.426   0.0000   0.0000   46.370   16.135  ?   ?       ?      ? 
1 1 1  -37   14   46 o   32.847   14.117   2.8996   11.319   2.8996   11.319   0.0000   0.0000   32.847   14.117  ?   ?       ?      ? 
1 1 1  -37   14   47 o   36.539   10.235   7.9505   7.7374   3.2804   11.488   11.828   10.468   33.227   14.249   39.852   14.696 -6.624352 20.47005 
1 1 1  -37   14   48 f   74.383   10.039   44.415   9.6564   48.263   14.916   41.638   12.670   76.565   14.912   72.200   13.444 4.365395 20.07769 
1 1 1  -37   14   49 o   72.224   10.342   45.108   9.8648   27.697   14.682   59.435   13.319   55.527   17.484   88.921   11.053 -33.39436 20.68449 
1 1 1  -37   14   50 o   43.396   11.286   15.153   8.6912   15.182   13.081   15.129   11.629   43.556   16.355   43.235   15.557 0.3218079 22.57248 
1 1 1  -37   14   51 o   49.818   11.373   21.910   8.9056   17.578   13.859   24.958   11.623   45.666   16.896   53.969   15.229 -8.302914 22.74641 
1 1 1  -37   14   52 o   46.806   11.217   19.005   8.6850   14.347   13.185   22.575   11.543   42.535   16.315   51.077   15.399 -8.541809 22.43462 
1 1 1  -37   14   53 o   43.971   15.390   16.280   11.312   0.0000   0.0000   16.280   11.312  ?   ?    43.971   15.390      ?      ? 
1 1 1  -37   14   54 o   61.456   15.337   32.825   12.732   0.0000   0.0000   32.825   12.732  ?   ?    61.456   15.337      ?      ? 
1 1 1  -37   14   55 o   42.987   11.181   14.111   8.9728   23.972   13.427   6.1539   12.061   51.015   16.779   34.958   14.782 16.05737 22.36110 
1 1 1  -37   14   56 o   35.811   10.143   5.2534   8.6025  -8.6911   12.643   17.276   11.739   27.217   12.886   44.405   15.667 -17.18791 20.28562 
1 1 1  -37   14   57 o   56.006   10.715   28.906   9.6770   11.029   14.142   44.650   13.271   39.241   16.256   72.771   13.965 -33.53069 21.43065 
1 1 1  -37   14   58 o   33.343   10.377   3.5457   9.1005   4.4327   12.823   2.6455   12.918   33.849   14.783   32.836   14.568 1.012283 20.75469 
1 1 1  -37   14   59 o   48.542   17.077   22.984   13.937   22.984   13.937   0.0000   0.0000   48.542   17.077  ?   ?       ?      ? 
1 1 1  -37   14   60 o   37.392   10.924   10.261   9.0031   11.780   12.928   8.8308   12.545   38.574   15.713   36.209   15.180 2.365692 21.84796 
1 1 1  -37   14   61 o   54.708   12.007   29.894   9.8142   31.826   14.412   28.222   13.401   56.069   17.268   53.346   16.688 2.722839 24.01448 
1 1 1  -37   14   62 o   37.075   10.665   7.2061   9.2489   21.779   13.700  -4.9965   12.537   46.297   16.852   27.852   13.077 18.44496 21.33050 
1 1 1  -37   14   63 o   38.191   11.066   12.380   9.2421   8.9559   13.321   15.558   12.833   35.777   15.344   40.604   15.950 -4.827267 22.13233 
1 1 1  -37   14   64 o   33.144   10.218   4.7737   8.9934  -3.0707   12.756   12.528   12.682   28.511   13.323   37.777   15.495 -9.266607 20.43547 
1 1 1  -37   14   65 o   24.505   11.822 -10.0205   11.768   0.0000   0.0000 -10.0205   11.768  ?   ?    24.505   11.822      ?      ? 
1 1 1  -37   15   28 o   59.324   14.581   28.651   11.639   28.651   11.639   0.0000   0.0000   59.324   14.581  ?   ?       ?      ? 
1 1 1  -37   15   29 o   43.184   10.378   14.102   7.1076   17.672   11.495   11.892   9.0438   46.656   15.533   39.712   13.768 6.943760 20.75645 
1 1 1  -37   15   30 o   57.009   9.6084   27.412   7.8208   15.254   12.125   36.073   10.234   44.172   15.886   69.846   10.813 -25.67359 19.21675 
1 1 1  -37   15   31 o   62.337   15.475   32.287   13.012   32.287   13.012   0.0000   0.0000   62.337   15.475  ?   ?       ?      ? 
1 1 1  -37   15   32 o   68.335   9.6012   38.536   8.5516   26.310   12.865   48.214   11.446   55.737   16.119   80.934   10.436 -25.19720 19.20238 
1 1 1  -37   15   33 o   45.456   10.512   16.376   7.3433   18.743   11.625   14.804   9.4726   47.696   15.608   43.217   14.087 4.478966 21.02495 
1 1 1  -37   15   34 o   37.396   9.8070   9.5908   6.9577   3.2331   11.030   13.792   8.9665   32.885   14.029   41.907   13.708 -9.021748 19.61405 
1 1 1  -37   15   35 o   55.176   10.530   25.466   8.0122   23.472   12.708   26.782   10.323   52.526   16.221   57.826   13.430 -5.299526 21.05926 
1 1 1  -37   15   36 o   70.990   9.7245   43.373   8.9547   23.132   13.468   59.413   11.989   51.858   16.790   90.121   9.8166 -38.26340 19.44903 
1 1 1  -37   15   37 o   38.788   10.302   8.9175   7.5978   17.755   11.788   2.6372   9.9373   46.407   15.730   31.168   13.307 15.23922 20.60360 
1 1 1  -37   15   38 o   47.375   10.813   18.761   8.0662   14.628   12.039   22.126   10.865   43.177   15.785   51.574   14.784 -8.397392 21.62689 
1 1 1  -37   15   39 f   43.544   15.104   15.247   10.884   0.0000   0.0000   15.247   10.884  ?   ?    43.544   15.104      ?      ? 
1 1 1  -37   15   40 o   62.089   10.153   32.400   8.7966   21.202   12.829   42.336   12.085   49.677   16.404   74.501   11.970 -24.82440 20.30660 
1 1 1  -37   15   41 o   29.580   9.1520  -0.0563   7.1972  -5.4612   10.542   4.6619   9.8497   26.618   12.327   32.542   13.531 -5.924238 18.30399 
1 1 1  -37   15   42 o   35.472   9.8519   5.4271   7.9938  -8.1476   12.308   15.332   10.513   27.561   12.945   43.384   14.855 -15.82316 19.70381 
1 1 1  -37   15   43 o   42.506   10.142   12.797   8.3025  -1.9771   12.330   25.051   11.230   30.581   13.845   54.432   14.823 -23.85177 20.28377 
1 1 1  -37   15   44 o   22.727   11.041 -14.7993   10.732 -14.7993   10.732   0.0000   0.0000   22.727   11.041  ?   ?       ?      ? 
1 1 1  -37   15   45 o   44.006   16.165   16.085   12.647   16.085   12.647   0.0000   0.0000   44.006   16.165  ?   ?       ?      ? 
1 1 1  -37   15   46 o   39.928   10.837   12.090   8.3145   9.1243   12.685   14.325   11.009   37.919   15.519   41.936   15.131 -4.017292 21.67417 
1 1 1  -37   15   47 o   40.854   10.774   12.712   8.5584   4.4605   12.844   19.302   11.478   34.600   14.954   47.109   15.514 -12.50978 21.54768 
1 1 1  -37   15   48 o   28.154   9.1581  -3.6481   7.9461  -4.0689   12.246  -3.3421   10.443   29.028   13.387   27.280   12.500 1.747549 18.31615 
1 1 1  -37   15   49 o   30.335   9.5788  -0.7017   7.9629   4.7742   12.350  -4.5979   10.417   34.175   14.717   26.495   12.264 7.679438 19.15763 
1 1 1  -37   15   50 f   40.104   11.006   12.650   8.7185   8.6664   12.975   15.929   11.773   37.183   15.501   43.024   15.627 -5.840614 22.01130 
1 1 1  -37   15   51 o   71.920   10.426   46.818   10.274   23.930   14.699   68.686   14.367   49.849   17.537   93.991   11.280 -44.14194 20.85162 
1 1 1  -37   15   52 o   67.000   15.576   40.164   13.873   0.0000   0.0000   40.164   13.873  ?   ?    67.000   15.576      ?      ? 
1 1 1  -37   15   53 o   74.441   10.644   49.720   10.504   35.167   15.069   63.478   14.651   59.915   17.478   88.967   12.152 -29.05235 21.28794 
1 1 1  -37   15   54 o   50.615   11.867   24.947   9.4758   25.993   13.868   24.030   12.978   51.320   17.060   49.911   16.499 1.409077 23.73312 
1 1 1  -37   15   55 o   33.767   10.284   5.6208   8.6500   1.8064   12.750   8.8731   11.774   31.755   14.254   35.779   14.828 -4.023260 20.56844 
1 1 1  -37   15   56 o   44.244   11.482   18.825   9.2477   14.014   13.481   23.101   12.709   40.040   16.141   48.448   16.334 -8.407650 22.96330 
1 1 1  -37   15   57 o   46.654   17.021   22.374   13.989   22.374   13.989   0.0000   0.0000   46.654   17.021  ?   ?       ?      ? 
1 1 1  -37   15   58 o   37.839   15.723   11.958   13.287   11.958   13.287   0.0000   0.0000   37.839   15.723  ?   ?       ?      ? 
1 1 1  -37   15   59 o   39.419   11.167   14.369   9.2964   9.4340   13.704   18.575   12.653   35.922   15.486   42.915   16.091 -6.992836 22.33305 
1 1 1  -37   15   60 o   42.867   11.680   19.224   9.6053   21.984   13.917   16.713   13.274   44.982   16.874   40.752   16.154 4.229996 23.35956 
1 1 1  -37   16   36 o   31.702   14.066   0.8568   12.044   0.8568   12.044   0.0000   0.0000   31.702   14.066  ?   ?       ?      ? 
1 1 1  -37   16   37 o   67.505   10.606   39.047   9.4383   36.095   13.934   41.549   12.830   63.970   16.089   71.040   13.824 -7.069874 21.21281 
1 1 1  -37   16   38 o   85.651   11.959   57.068   13.881   0.0000   0.0000   57.068   13.881  ?   ?    85.651   11.959      ?      ? 
1 1 1  -37   16   39 o   73.798   10.084   46.436   9.7316   31.893   13.956   60.201   13.577   59.136   16.688   88.461   11.326 -29.32507 20.16826 
1 1 1  -37   16   40 o   39.620   10.096   11.370   7.9393  -0.5113   12.052   20.479   10.552   30.655   13.801   48.585   14.740 -17.93008 20.19277 
1 1 1  -37   16   41 o   44.565   11.051   17.436   8.3352   14.690   12.779   19.471   10.997   42.058   16.078   47.072   15.164 -5.013412 22.10145 
1 1 1  -37   16   42 o   56.466   10.913   29.234   9.0878   19.132   13.361   37.932   12.397   45.964   16.655   66.967   14.107 -21.00255 21.82653 
1 1 1  -37   16   43 o   30.255   13.643  -0.4195   11.835  -0.4195   11.835   0.0000   0.0000   30.255   13.643  ?   ?       ?      ? 
1 1 1  -37   16   44 o   38.381   10.492   10.599   8.3480   2.0405   12.356   17.786   11.323   32.092   14.243   44.670   15.410 -12.57777 20.98381 
1 1 1  -37   16   45 f   31.139   9.3625  -0.3301   7.9635 -15.0607   11.782   12.058   10.805   23.604   11.491   38.674   14.785 -15.07005 18.72500 
1 1 1  -37   16   46 o   58.548   11.526   32.474   9.6482   26.733   13.814   37.941   13.481   52.368   17.009   64.729   15.561 -12.36090 23.05290 
1 1 1  -37   16   47 o   58.611   10.171   30.996   9.5016   11.682   13.445   50.269   13.430   38.800   15.939   78.422   12.637 -39.62185 20.34122 
1 1 1  -37   16   48 o   36.811   10.404   9.3654   8.4152   0.8675   12.428   16.559   11.435   30.992   13.978   42.629   15.414 -11.63714 20.80838 
1 1 1  -37   16   49 o   43.116   11.405   17.100   8.9689   21.577   13.523   13.585   11.984   46.641   16.777   39.590   15.453 7.051567 22.80901 
1 1 1  -37   16   50 o   44.436   11.167   18.808   9.0274   10.511   13.293   25.910   12.298   37.259   15.623   51.612   15.961 -14.35297 22.33472 
1 1 1  -37   16   51 o   42.044   15.902   16.883   12.416   0.0000   0.0000   16.883   12.416  ?   ?    42.044   15.902      ?      ? 
1 1 1  -37   16   52 o   48.081   11.932   23.938   9.7291   29.283   14.187   19.193   13.368   52.576   17.244   43.586   16.497 8.989815 23.86434 
1 1 1  -37   16   53 o   33.102   10.261   5.7251   8.7848   8.0622   12.991   3.7563   11.924   34.761   15.032   31.444   13.971 3.317270 20.52204 
1 1 1  -37   16   54 f   41.917   10.744   12.991   9.2932   32.958   13.973  -2.8462   12.444   55.645   16.980   28.188   13.168 27.45690 21.48755 
1 1 1  -37   17   45 o   46.970   16.842   23.390   13.619   23.390   13.619   0.0000   0.0000   46.970   16.842  ?   ?       ?      ? 
1 1 1  -37   17   46 o   29.404   9.3539   1.2053   8.0063  -4.8866   12.527   5.4121   10.410   27.426   12.937   31.382   13.513 -3.955826 18.70783 
1 1 1  -37   17   47 o   41.908   10.870   17.277   8.8492   7.5887   13.179   25.231   11.942   34.168   14.953   49.647   15.783 -15.47869 21.74087 
1 1 1  -36    0    1 o  153.327   6.6363  160.535   13.730   0.0000   0.0000  160.535   13.730  153.327   6.6363  153.327   6.6363 -0.000000 0.000000 
1 1 1  -36    0    2 o  403.216   8.1068  1106.54   44.256   0.0000   0.0000  1106.54   44.256  403.216   8.1068  403.216   8.1068 -0.000000 0.000000 
1 1 1  -36    0    3 o  134.225   6.8909  123.316   12.459   0.0000   0.0000  123.316   12.459  134.225   6.8909  134.225   6.8909 -0.000000 0.000000 
1 1 1  -36    0    4 o  443.642   8.5705  1339.78   51.482   0.0000   0.0000  1339.78   51.482  443.642   8.5705  443.642   8.5705 -0.000000 0.000000 
1 1 1  -36    0    5 o  440.293   8.5560  1319.57   51.006   0.0000   0.0000  1319.57   51.006  440.293   8.5560  440.293   8.5560 -0.000000 0.000000 
1 1 1  -36    0    6 o  206.862   6.6362  291.436   18.560   0.0000   0.0000  291.436   18.560  206.862   6.6362  206.862   6.6362 -0.000000 0.000000 
1 1 1  -36    0    7 f  338.640   10.513  783.235   48.140   0.0000   0.0000  783.235   48.140  338.640   10.513  338.640   10.513 -0.000000 0.000000 
1 1 1  -36    0    8 o  232.401   9.4040  369.230   29.506   0.0000   0.0000  369.230   29.506  232.401   9.4040  232.401   9.4040 -0.000000 0.000000 
1 1 1  -36    0    9 o  349.306   10.669  833.320   50.394   0.0000   0.0000  833.320   50.394  349.306   10.669  349.306   10.669 -0.000000 0.000000 
1 1 1  -36    0   10 o  366.141   10.916  915.646   54.054   0.0000   0.0000  915.646   54.054  366.141   10.916  366.141   10.916 -0.000000 0.000000 
1 1 1  -36    0   11 o  175.036   6.7147  208.923   15.874   0.0000   0.0000  208.923   15.874  175.036   6.7147  175.036   6.7147 -0.000000 0.000000 
1 1 1  -36    0   12 o  238.589   6.8111  387.445   21.981   0.0000   0.0000  387.445   21.981  238.589   6.8111  238.589   6.8111 -0.000000 0.000000 
1 1 1  -36    0   13 f   68.478   16.677   37.189   13.409   0.0000   0.0000   37.189   13.409   68.478   16.677   68.478   16.677 -0.000000 0.000000 
1 1 1  -36    0   15 o  141.129   7.2490  136.329   13.780   0.0000   0.0000  136.329   13.780  141.129   7.2490  141.129   7.2490 -0.000000 0.000000 
1 1 1  -36    0   16 o  136.877   7.2143  128.287   13.297   0.0000   0.0000  128.287   13.297  136.877   7.2143  136.877   7.2143 -0.000000 0.000000 
1 1 1  -36    0   17 o  134.397   6.8314  125.183   12.246  131.900   16.945  117.840   17.717  138.379   9.1273  130.415   10.167 -0.000000 0.000000 
1 1 1  -36    0   18 o  280.491   6.9421  537.296   26.305  556.032   37.359  518.875   37.043  285.388   9.6853  275.595   9.9481 -0.000000 0.000000 
1 1 1  -36    0   19 o  134.205   6.9994  125.420   12.467  136.999   17.226  112.686   18.065  141.069   9.0977  127.340   10.639 -0.000000 0.000000 
1 1 1  -36    0   20 o  138.335   9.3152  131.907   17.281  131.907   17.281   0.0000   0.0000  138.335   9.3152  138.335   9.3152 -0.000000 0.000000 
1 1 1  -36    0   21 o  186.551   9.1346  238.357   22.966  238.357   22.966   0.0000   0.0000  186.551   9.1346  186.551   9.1346 -0.000000 0.000000 
1 1 1  -36    0   22 f  184.540   9.1516  233.294   22.758  233.294   22.758   0.0000   0.0000  184.540   9.1516  184.540   9.1516 -0.000000 0.000000 
1 1 1  -36    0   23 o   74.802   10.547   43.519   9.1642   52.565   12.689   33.658   13.249   85.615   11.524   63.989   17.667 -0.000000 0.000000 
1 1 1  -36    0   24 o  230.915   6.7048  364.172   20.889  350.016   29.018  379.399   30.094  226.234   9.5031  235.596   9.4609 -0.000000 0.000000 
1 1 1  -36    0   25 o  189.642   6.6713  245.998   17.021  227.911   23.565  265.728   24.612  182.276   9.6009  197.009   9.2654 -0.000000 0.000000 
1 1 1  -36    0   26 o  361.964   7.7450  894.347   37.898  866.352   52.808  924.077   54.419  356.108   10.966  367.820   10.940 -0.000000 0.000000 
1 1 1  -36    0   27 o  343.987   7.5877  807.505   35.274  775.458   49.065  841.786   50.746  336.899   10.772  351.075   10.689 -0.000000 0.000000 
1 1 1  -36    0   28 f  245.803   6.8931  413.097   22.878  409.664   32.369  416.524   32.340  244.767   9.7943  246.838   9.7021 -0.000000 0.000000 
1 1 1  -36    0   29 o  362.386   7.8325  894.593   38.322  959.486   55.966  837.305   52.584  374.765   11.042  350.007   11.112 -0.000000 0.000000 
1 1 1  -36    0   30 o  225.322   6.8860  347.408   20.935  350.243   29.846  344.662   29.371  226.223   9.7773  224.422   9.6990 -0.000000 0.000000 
1 1 1  -36    0   31 o  481.385   9.1833  1584.03   59.767  1646.10   86.476  1527.26   82.697  490.405   13.033  472.366   12.941 -0.000000 0.000000 
1 1 1  -36    0   32 o  471.525   9.0869  1521.76   57.964  1505.33   81.799  1538.33   82.149  468.947   12.894  474.103   12.808 -0.000000 0.000000 
1 1 1  -36    0   33 o  138.503   7.5968  132.764   14.005  148.547   20.283  118.382   19.362  146.614   10.327  130.392   11.145 -0.000000 0.000000 
1 1 1  -36    0   34 o  399.544   8.2932  1091.25   44.801  1055.42   62.631  1128.79   64.111  392.794   11.790  406.294   11.666 -0.000000 0.000000 
1 1 1  -36    0   35 o  163.797   7.3037  185.067   16.048  177.683   22.825  192.287   22.568  160.450   10.604  167.143   10.047 -0.000000 0.000000 
1 1 1  -36    0   36 o  715.622   17.419  3530.24  168.693   0.0000   0.0000  3530.24  168.693  715.622   17.419  715.622   17.419 -0.000000 0.000000 
1 1 1  -36    0   37 o  144.670   10.739  144.982   20.787   0.0000   0.0000  144.982   20.787  144.670   10.739  144.670   10.739 -0.000000 0.000000 
1 1 1  -36    0   38 o  600.518   10.777  2477.34   87.550  2533.16  125.714  2424.78  121.999  607.060   15.304  593.976   15.179 -0.000000 0.000000 
1 1 1  -36    0   39 o  167.477   7.2205  193.490   16.205  178.003   22.870  209.106   22.965  160.552   10.618  174.402   9.7877 -0.000000 0.000000 
1 1 1  -36    0   40 o  129.963   7.7575  117.694   13.410  116.526   19.528  118.736   18.448  129.214   11.354  130.712   10.574 -0.000000 0.000000 
1 1 1  -36    0   41 o  120.674   8.1542  102.976   12.883   92.574   18.854  112.085   17.644  114.384   12.548  126.965   10.416 -0.000000 0.000000 
1 1 1  -36    0   42 o  127.355   8.0227  114.024   13.484  105.049   19.714  121.913   18.484  122.212   12.181  132.498   10.444 -0.000000 0.000000 
1 1 1  -36    0   43 o  188.096   7.1844  242.956   18.166  250.345   26.524  236.427   24.932  190.761   10.330  185.430   9.9880 -0.000000 0.000000 
1 1 1  -36    0   44 o  154.711   11.013  165.872   22.821  165.872   22.821   0.0000   0.0000  154.711   11.013  154.711   11.013 -0.000000 0.000000 
1 1 1  -36    0   45 f  380.176   11.668  990.993   59.985  990.993   59.985   0.0000   0.0000  380.176   11.668  380.176   11.668 -0.000000 0.000000 
1 1 1  -36    0   46 o  124.756   8.0485  108.525   13.316  116.448   19.636  101.779   18.119  129.036   11.436  120.477   11.328 -0.000000 0.000000 
1 1 1  -36    0   47 o  111.227   8.7654   88.607   12.592   77.452   18.216   98.814   17.425  103.710   13.611  118.743   11.049 -0.000000 0.000000 
1 1 1  -36    0   48 o  167.509   7.4847  195.325   16.687  170.526   23.881  218.985   23.326  156.663   11.387  178.355   9.7170 -0.000000 0.000000 
1 1 1  -36    0   49 f  190.033   7.3688  249.514   18.779  241.551   27.443  256.526   25.753  186.991   10.915  193.074   9.9023 -0.000000 0.000000 
1 1 1  -36    0   50 o  204.668   7.2757  288.901   20.007  281.797   29.174  295.207   27.489  202.132   10.719  207.205   9.8405 -0.000000 0.000000 
1 1 1  -36    0   51 o  157.945   7.5734  170.605   15.922  197.365   24.241  150.298   21.116  168.835   10.693  147.055   10.727 -0.000000 0.000000 
1 1 1  -36    0   52 o  385.119   8.3212  1019.46   43.294  1045.05   62.901  996.424   59.679  389.633   11.938  380.606   11.595 -0.000000 0.000000 
1 1 1  -36    0   53 o   73.370   13.343   43.603   11.314   45.617   17.706   42.213   14.708   73.851   20.455   72.890   17.139 -0.000000 0.000000 
1 1 1  -36    0   54 o  208.616   7.4212  295.808   20.682  337.681   31.872  265.353   27.182  221.192   10.690  196.039   10.297 -0.000000 0.000000 
1 1 1  -36    0   55 o   80.456   13.651   56.352   12.074   41.413   20.241   64.605   15.044   66.273   24.371   94.639   12.305 -0.000000 0.000000 
1 1 1  -36    0   56 f  170.998   10.102  202.475   23.221   0.0000   0.0000  202.475   23.221  170.998   10.102  170.998   10.102 -0.000000 0.000000 
1 1 1  -36    0   57 o  230.012   7.3339  364.879   22.684  370.627   33.523  360.025   30.808  231.537   10.737  228.488   9.9933 -0.000000 0.000000 
1 1 1  -36    0   58 o   91.627   10.894   63.925   11.972   56.502   18.062   69.744   15.990   85.025   17.792   98.229   12.577 -0.000000 0.000000 
1 1 1  -36    0   59 f   51.976   11.956   26.182   9.9798   5.2717   15.197   42.037   13.233   30.124   18.675   73.827   14.934 -0.000000 0.000000 
1 1 1  -36    0   60 o  215.360   7.3900  320.415   21.361  332.010   31.916  311.006   28.750  218.726   10.828  211.994   10.059 -0.000000 0.000000 
1 1 1  -36    0   61 o   94.670   10.392   65.214   12.123   81.313   18.737   53.623   15.898  105.596   13.736   83.743   15.597 -0.000000 0.000000 
1 1 1  -36    0   62 o   84.834   17.966   56.840   18.166   56.840   18.166   0.0000   0.0000   84.834   17.966   84.834   17.966 -0.000000 0.000000 
1 1 1  -36    0   63 o   66.108   13.851   37.291   10.742   43.974   16.556   32.432   14.116   72.137   19.592   60.079   19.584 -0.000000 0.000000 
1 1 1  -36    0   64 o  117.882   8.5184   99.002   13.110  102.766   20.224   96.274   17.217  119.413   12.877  116.350   11.155 -0.000000 0.000000 
1 1 1  -36    0   65 o  180.909   7.5107  230.445   18.113  213.207   26.675  245.193   24.673  174.087   11.420  187.731   9.7587 -0.000000 0.000000 
1 1 1  -36    0   66 o  101.490   10.192   79.128   12.297   62.025   18.561   92.509   16.417   88.997   17.254  113.983   10.855 -0.000000 0.000000 
1 1 1  -36    0   67 o  107.572   9.3319   86.182   12.552   76.358   19.316   93.363   16.514  100.721   15.167  114.424   10.876 -0.000000 0.000000 
1 1 1  -36    0   68 o  132.897   8.5692  130.847   14.414  101.451   21.590  154.488   19.362  117.375   14.114  148.419   9.7222 -0.000000 0.000000 
1 1 1  -36    0   69 o   61.779   14.442   35.116   10.490   35.900   17.680   34.690   13.031   59.728   23.035   63.829   17.426 -0.000000 0.000000 
1 1 1  -36    0   70 o   21.108   9.9831  -4.5230   8.3697 -18.2348   14.506   2.3199   10.247   18.671   13.280   23.545   14.910 -0.000000 0.000000 
1 1 1  -36    0   71 o  127.132   10.391  114.972   17.627   0.0000   0.0000  114.972   17.627  127.132   10.391  127.132   10.391 -0.000000 0.000000 
1 1 1  -36    0   72 o   51.678   18.666   25.596   11.986   0.0000   0.0000   25.596   11.986   51.678   18.666   51.678   18.666 -0.000000 0.000000 
1 1 1  -36    0   73 o  120.628   10.473  104.099   16.823   0.0000   0.0000  104.099   16.823  120.628   10.473  120.628   10.473 -0.000000 0.000000 
1 1 1  -36    0   74 o   80.204   13.518   49.324   13.439   0.0000   0.0000   49.324   13.439   80.204   13.518   80.204   13.518 -0.000000 0.000000 
1 1 1  -36    0   75 o   23.225   14.775   2.2406   10.194   0.0000   0.0000   2.2406   10.194   23.225   14.775   23.225   14.775 -0.000000 0.000000 
1 1 1  -36    1    1 o  290.270   4.9163  573.786   19.336  565.404   27.425  582.070   27.265  288.147   7.0234  292.392   6.8812 -4.245331 9.832545 
1 1 1  -36    1    2 f  232.839   4.6657  368.179   14.705  392.366   21.319  346.227   20.310  240.126   6.5515  225.552   6.6447 14.57390 9.331359 
1 1 1  -36    1    3 o  282.310   4.8942  542.562   18.722  542.518   26.641  542.606   26.316  282.290   6.9643  282.329   6.8783 -0.3945923E-01 9.788338 
1 1 1  -36    1    4 o  333.176   5.2192  756.125   23.564  755.300   33.455  756.937   33.194  332.987   7.4140  333.364   7.3479 -0.3763123 10.43834 
1 1 1  -36    1    5 o  292.461   4.9759  582.027   19.713  560.115   27.582  604.909   28.186  286.825   7.0961  298.098   6.9773 -11.27243 9.951738 
1 1 1  -36    1    6 o  181.205   4.6488  223.249   11.411  232.163   16.351  214.788   15.931  184.733   6.5318  177.677   6.6167 7.056305 9.297544 
1 1 1  -36    1    7 o  305.289   5.0704  634.148   20.970  651.063   30.118  618.232   29.215  309.235   7.1872  301.344   7.1542 7.891022 10.14088 
1 1 1  -36    1    8 o  219.885   4.7384  328.881   14.114  331.811   20.276  326.126   19.659  220.824   6.7755  218.945   6.6260 1.879623 9.476894 
1 1 1  -36    1    9 o  499.048   9.2773  1700.83   62.741   0.0000   0.0000  1700.83   62.741  ?   ?   499.048   9.2773      ?      ? 
1 1 1  -36    1   10 o  446.779   8.6521  1361.73   52.384   0.0000   0.0000  1361.73   52.384  ?   ?   446.779   8.6521      ?      ? 
1 1 1  -36    1   11 o  332.919   5.2807  754.749   23.822  756.928   33.936  752.631   33.449  333.383   7.5115  332.455   7.4244 0.9281006 10.56150 
1 1 1  -36    1   12 o  268.713   4.9319  491.092   17.945  464.617   25.068  518.921   25.701  261.272   7.0802  276.155   6.8678 -14.88364 9.863850 
1 1 1  -36    1   13 o  262.360   6.9602  468.416   24.746   0.0000   0.0000  468.416   24.746  ?   ?   262.360   6.9602      ?      ? 
1 1 1  -36    1   14 o  153.021   5.7425  158.136   11.467  154.337   14.315  164.940   19.157  150.593   7.0145  155.449   9.0940 -4.855637 11.48493 
1 1 1  -36    1   15 o  217.259   6.7919  321.141   19.924  337.219   29.724  308.024   26.848  222.126   9.8748  212.392   9.3279 9.734589 13.58385 
1 1 1  -36    1   16 o  151.870   5.9175  161.152   11.585  171.372   14.590  143.710   19.060  158.711   6.7836  145.030   9.6980 13.68050 11.83508 
1 1 1  -36    1   17 o  102.456   6.5218   69.089   8.5754   64.138   10.397   79.624   15.166   97.024   7.9078  107.889   10.373 -10.86572 13.04350 
1 1 1  -36    1   18 o  203.600   6.8401  282.039   18.872  282.039   18.872   0.0000   0.0000  203.600   6.8401  ?   ?       ?      ? 
1 1 1  -36    1   19 o  113.345   6.0213   86.869   8.8837   85.012   11.060   90.248   14.914  111.747   7.3034  114.942   9.5751 -3.195282 12.04255 
1 1 1  -36    1   20 o  152.732   4.6835  158.681   9.6929  157.731   13.756  159.618   13.660  152.274   6.6663  153.190   6.5803 -0.9157257 9.366934 
1 1 1  -36    1   21 o  226.963   4.6711  350.368   14.366  353.081   20.417  347.708   20.218  227.833   6.6129  226.094   6.5989 1.738144 9.342157 
1 1 1  -36    1   22 o  149.035   4.6868  151.065   9.4648  153.730   13.471  148.467   13.301  150.334   6.6126  147.735   6.6437 2.598633 9.373680 
1 1 1  -36    1   23 o  271.964   4.8886  503.176   18.014  491.526   25.263  515.227   25.694  268.758   6.9366  275.169   6.8905 -6.410980 9.777296 
1 1 1  -36    1   24 o  267.130   6.0393  494.397   20.669  511.730   25.636  462.205   34.937  274.230   6.8986  260.031   9.9147 14.19855 12.07860 
1 1 1  -36    1   25 o  326.589   6.4307  731.651   26.852  739.004   33.010  717.269   46.167  329.438   7.3942  323.740   10.523 5.698364 12.86135 
1 1 1  -36    1   26 o  463.512   6.2763  1466.01   39.420  1450.61   55.389  1481.80   56.115  461.050   8.8653  465.973   8.8866 -4.922241 12.55256 
1 1 1  -36    1   27 o  522.684   6.7983  1866.83   48.153  1869.43   68.168  1864.23   68.028  523.046   9.6174  522.321   9.6110 0.7245483 13.59655 
1 1 1  -36    1   28 o  234.896   6.8378  375.477   21.766  375.477   21.766   0.0000   0.0000  234.896   6.8378  ?   ?       ?      ? 
1 1 1  -36    1   29 o  304.509   5.1399  630.930   21.202  652.656   30.446  610.474   29.543  309.598   7.2569  299.421   7.2809 10.17679 10.27979 
1 1 1  -36    1   30 o  190.251   4.8052  246.278   12.387  249.500   17.663  243.159   17.377  191.473   6.8073  189.027   6.7838 2.446091 9.610387 
1 1 1  -36    1   31 o  307.172   5.1717  642.586   21.528  643.800   30.527  641.385   30.362  307.457   7.3269  306.886   7.3009 0.5715942 10.34343 
1 1 1  -36    1   32 o  349.913   5.4470  834.240   25.825  816.201   36.277  852.778   36.774  346.070   7.7353  353.756   7.6710 -7.686218 10.89401 
1 1 1  -36    1   33 o  303.741   6.2840  626.698   24.459  619.971   29.982  640.084   42.295  301.690   7.3335  305.791   10.207 -4.100128 12.56801 
1 1 1  -36    1   34 o  244.840   6.0849  416.532   19.177  434.427   23.963  384.652   31.984  252.592   7.0005  237.090   9.9548 15.50194 12.16987 
1 1 1  -36    1   35 o  308.431   6.3531  647.136   25.120  641.471   30.819  658.349   43.359  306.831   7.4121  310.031   10.320 -3.200562 12.70621 
1 1 1  -36    1   36 f  278.148   5.0887  526.815   19.177  538.551   27.456  515.636   26.796  281.169   7.2059  275.126   7.1871 6.042755 10.17741 
1 1 1  -36    1   37 o  441.275   6.1806  1329.39   36.949  1363.18   52.992  1297.41   51.547  446.725   8.7535  435.825   8.7279 10.90009 12.36124 
1 1 1  -36    1   38 o  209.381   6.0606  302.662   16.211  289.465   27.732  309.512   19.980  205.587   9.9543  213.175   6.9165 -7.588242 12.12129 
1 1 1  -36    1   39 o  246.830   6.1000  416.302   19.263  416.012   33.237  416.449   23.638  246.429   9.9529  247.231   7.0553 -0.8019714 12.19992 
1 1 1  -36    1   40 o  166.288   5.0580  188.416   11.395  190.228   16.322  186.692   15.917  167.060   7.2096  165.515   7.0963 1.544739 10.11606 
1 1 1  -36    1   41 o  444.371   6.2297  1349.45   37.503  1381.23   53.863  1319.54   52.248  449.432   8.8438  439.311   8.7764 10.12131 12.45947 
1 1 1  -36    1   42 o  273.932   6.3530  515.549   22.034  507.391   38.639  519.480   26.823  271.836   10.489  276.028   7.1708 -4.191986 12.70598 
1 1 1  -36    1   43 o  104.318   7.4570   72.169   9.7764   81.738   17.950   68.133   11.657  108.824   12.172   99.812   8.6184 9.011795 14.91392 
1 1 1  -36    1   44 o  220.240   4.9871  330.569   14.878  338.426   21.421  323.245   20.680  222.758   7.0963  217.721   7.0092 5.036285 9.974266 
1 1 1  -36    1   45 o  125.216   7.1536  110.127   11.254  114.604   13.738  100.992   19.624  129.516   7.8275  120.915   11.976 8.601105 14.30730 
1 1 1  -36    1   46 o  149.006   6.6672  152.346   12.478  152.377   15.059  152.280   22.290  149.379   7.4392  148.632   11.066 0.7463226 13.33440 
1 1 1  -36    1   47 o  312.079   5.3550  665.446   22.646  673.996   32.178  657.055   31.876  314.070   7.5605  310.089   7.5856 3.980927 10.70990 
1 1 1  -36    1   48 o  330.180   5.4573  745.415   24.417  755.214   34.687  735.792   34.376  332.337   7.7021  328.023   7.7334 4.313263 10.91457 
1 1 1  -36    1   49 o  175.763   5.1326  211.070   12.223  216.575   17.391  205.697   17.182  178.038   7.2082  173.488   7.3085 4.549240 10.26513 
1 1 1  -36    1   50 o  186.511   5.0813  237.508   12.826  255.327   18.444  220.824   17.848  193.310   7.0406  179.712   7.3286 13.59758 10.16263 
1 1 1  -36    1   51 o  220.779   5.0653  333.150   15.140  313.531   21.184  353.634   21.647  214.098   7.3015  227.459   7.0227 -13.36061 10.13069 
1 1 1  -36    1   52 o  128.829   5.5554  113.747   9.6978  115.838   13.774  111.691   13.656  130.011   7.8182  127.648   7.8945 2.362846 11.11071 
1 1 1  -36    1   53 o  152.214   5.3377  158.801   11.005  153.179   15.566  164.419   15.560  149.489   7.6841  154.939   7.4107 -5.449768 10.67541 
1 1 1  -36    1   54 o  185.699   6.2181  242.755   14.987  258.633   19.052  216.985   24.272  194.319   7.2352  177.079   10.115 17.24002 12.43619 
1 1 1  -36    1   55 o  152.712   6.2061  154.891   12.396  140.090   15.338  182.769   21.050  142.807   7.9258  162.616   9.5522 -19.80904 12.41219 
1 1 1  -36    1   56 o  107.269   6.0960   78.658   8.8138   91.021   13.088   68.399   11.922  114.964   8.4011   99.574   8.8356 15.38992 12.19205 
1 1 1  -36    1   57 o  166.882   6.1831  190.565   13.291  197.710   22.803  186.888   16.356  168.768   9.9705  164.996   7.3151 3.771896 12.36613 
1 1 1  -36    1   58 o  328.837   5.5301  744.425   24.641  738.295   34.957  750.479   34.741  327.453   7.8777  330.220   7.7634 -2.766754 11.06022 
1 1 1  -36    1   59 o  158.719   5.3443  173.423   11.488  166.401   16.204  180.521   16.291  155.443   7.6925  161.994   7.4209 -6.551331 10.68851 
1 1 1  -36    1   60 o  252.547   5.2416  439.263   17.932  425.991   25.376  452.501   25.343  248.672   7.5304  256.423   7.2932 -7.751556 10.48324 
1 1 1  -36    1   61 o  157.484   6.8509  173.824   13.468  170.702   24.158  175.232   16.223  155.555   11.460  159.414   7.5099 -3.858368 13.70182 
1 1 1  -36    1   62 o  245.547   5.2073  415.897   17.327  419.134   24.585  412.702   24.424  246.499   7.3598  244.595   7.3686 1.903976 10.41456 
1 1 1  -36    1   63 o  118.728   7.6651  100.667   11.208  102.498   13.415   96.435   20.397  121.572   8.1431  115.884   12.989 5.688194 15.33027 
1 1 1  -36    1   64 f  160.977   5.2330  179.169   11.402  167.554   15.969  191.248   16.285  155.578   7.5742  166.375   7.2228 -10.79663 10.46601 
1 1 1  -36    1   65 o  156.164   5.2494  168.883   11.108  171.569   15.787  166.249   15.633  157.405   7.4009  154.924   7.4464 2.480438 10.49873 
1 1 1  -36    1   66 o   52.143   9.6109   20.563   6.8643   21.881   9.8401   19.315   9.5803   53.764   13.520   50.522   13.664 3.241829 19.22186 
1 1 1  -36    1   67 o  193.637   5.0906  260.056   13.357  261.030   18.820  259.067   18.961  194.028   7.1578  193.246   7.2403 0.7820282 10.18114 
1 1 1  -36    1   68 o   83.357   6.7911   49.218   7.6519   45.059   10.761   53.471   10.883   79.654   9.9694   87.059   9.2244 -7.404800 13.58227 
1 1 1  -36    1   69 o  103.063   6.0193   74.916   8.3561   84.066   11.817   65.766   11.817  109.615   7.9556   96.512   9.0353 13.10236 12.03862 
1 1 1  -36    1   70 o  179.255   6.1203  228.619   14.237  234.157   17.897  219.074   23.494  183.320   7.2040  175.190   9.8961 8.130096 12.24055 
1 1 1  -36    1   71 o   69.980   8.8732   37.285   7.9615   39.721   10.296   33.662   12.557   74.362   10.217   65.598   14.510 8.763763 17.74632 
1 1 1  -36    1   72 f  132.765   7.1628  126.880   12.883  123.985   18.253  129.754   18.187  131.147   10.270  134.383   9.9870 -3.235901 14.32561 
1 1 1  -36    1   73 o   40.083   9.6420   7.4399   7.6680  -6.6193   10.602   22.861   11.104   26.656   12.350   53.510   14.810 -26.85373 19.28391 
1 1 1  -36    1   74 o  124.984   7.2411  113.165   12.262  110.568   17.207  115.844   17.479  123.494   10.282  126.473   10.199 -2.979294 14.48229 
1 1 1  -36    1   75 o   94.224   11.407   65.548   14.565   0.0000   0.0000   65.548   14.565  ?   ?    94.224   11.407      ?      ? 
1 1 1  -36    1   76 o   84.382   12.080   53.286   13.813   0.0000   0.0000   53.286   13.813  ?   ?    84.382   12.080      ?      ? 
1 1 1  -36    2    1 o  156.242   4.5619  165.791   9.6491  174.806   14.013  157.662   13.306  160.273   6.4519  152.210   6.4510 8.062317 9.123714 
1 1 1  -36    2    2 o  250.264   4.7100  426.501   15.965  412.780   22.652  440.045   22.505  246.240   6.7884  254.287   6.5308 -8.046875 9.419915 
1 1 1  -36    2    3 o  367.823   5.4536  921.198   27.166  949.962   39.296  894.865   37.598  373.302   7.7678  362.345   7.6570 10.95618 10.90728 
1 1 1  -36    2    4 o  512.476   6.7083  1786.37   46.456  1918.29   68.935  1676.62   62.878  529.665   9.6041  495.288   9.3683 34.37759 13.41652 
1 1 1  -36    2    5 o  267.548   6.7512  487.181   24.478   0.0000   0.0000  487.181   24.478  ?   ?   267.548   6.7512      ?      ? 
1 1 1  -36    2    6 o  303.974   6.2920  641.387   24.255  600.139   41.840  662.265   29.767  296.059   10.429  311.890   7.0428 -15.83041 12.58404 
1 1 1  -36    2    7 o  148.519   5.8596  145.879   10.889  162.293   20.095  139.056   12.956  154.085   9.6237  142.953   6.6877 11.13191 11.71928 
1 1 1  -36    2    8 o  288.735   6.2212  578.254   22.738  542.409   39.389  596.170   27.847  281.519   10.325  295.951   6.9435 -14.43225 12.44248 
1 1 1  -36    2    9 o  211.923   5.8610  308.404   15.618  300.451   27.682  312.118   18.916  209.646   9.7437  214.200   6.5168 -4.554504 11.72209 
1 1 1  -36    2   10 o  309.853   6.3773  667.493   25.110  619.589   43.047  692.200   30.915  300.840   10.559  318.866   7.1544 -18.02597 12.75458 
1 1 1  -36    2   11 o  245.278   4.8109  409.488   15.983  394.202   22.580  424.837   22.626  240.671   6.9233  249.885   6.6818 -9.214600 9.621781 
1 1 1  -36    2   12 o  237.725   4.7879  384.606   15.421  376.218   21.851  392.927   21.765  235.130   6.8577  240.320   6.6832 -5.190796 9.575715 
1 1 1  -36    2   13 o  284.565   4.9952  551.241   19.261  544.352   27.321  558.048   27.157  282.786   7.1293  286.345   6.9987 -3.559387 9.990451 
1 1 1  -36    2   14 o  336.299   6.0124  765.623   23.834  759.788   27.541  783.025   47.561  334.303   6.0794  338.294   10.375 -3.990662 12.02473 
1 1 1  -36    2   15 o  329.345   5.9228  721.465   22.896  703.976   26.297  776.255   46.547  321.801   6.0303  336.889   10.196 -15.08810 11.84560 
1 1 1  -36    2   16 o  185.990   5.2409  231.469   11.611  227.120   13.454  244.154   22.980  182.840   5.4300  189.139   8.9657 -6.298096 10.48187 
1 1 1  -36    2   17 o  327.919   5.9979  737.396   23.357  741.858   27.189  724.829   45.629  330.340   6.0736  325.499   10.345 4.840790 11.99574 
1 1 1  -36    2   18 o   97.254   6.9457   65.891   8.8352   70.057   11.334   59.439   14.105  101.372   8.2506   93.137   11.176 8.235039 13.89145 
1 1 1  -36    2   19 o  330.226   6.4092  743.209   27.368  740.482   33.940  748.278   46.276  329.724   7.5959  330.728   10.325 -1.004028 12.81830 
1 1 1  -36    2   20 o  192.904   5.3511  251.770   12.409  249.836   14.494  257.082   24.019  191.752   5.5777  194.055   9.1337 -2.303055 10.70212 
1 1 1  -36    2   21 o  336.581   5.2568  771.307   23.974  754.753   33.675  788.320   34.139  332.913   7.4644  340.249   7.4040 -7.336395 10.51361 
1 1 1  -36    2   22 o  340.596   5.3106  789.930   24.509  774.081   34.441  806.190   34.885  337.129   7.5387  344.064   7.4819 -6.934418 10.62127 
1 1 1  -36    2   23 o  287.429   7.1239  564.752   27.733  538.925   38.838  591.620   39.613  280.691   10.210  294.167   9.9372 -13.47598 14.24787 
1 1 1  -36    2   24 o  252.248   5.9300  432.976   19.191  431.003   23.585  436.841   33.012  251.659   6.9158  252.837   9.6350 -1.178848 11.86006 
1 1 1  -36    2   25 o  251.029   4.8389  428.865   16.459  423.229   23.335  434.446   23.219  249.377   6.9051  252.680   6.7809 -3.302933 9.677867 
1 1 1  -36    2   26 o  337.573   5.3162  776.085   24.317  762.285   34.191  790.212   34.593  334.531   7.5420  340.615   7.4945 -6.084137 10.63246 
1 1 1  -36    2   27 o  234.096   5.9313  375.409   17.699  378.695   21.684  368.850   30.635  235.903   6.7830  232.289   9.7320 3.614120 11.86259 
1 1 1  -36    2   28 f  301.896   6.2880  616.852   24.115  607.109   29.270  637.439   42.547  298.596   7.2336  305.196   10.288 -6.599792 12.57610 
1 1 1  -36    2   29 o  156.555   4.8853  166.844   10.362  162.528   14.636  171.181   14.672  154.517   6.9900  158.594   6.8267 -4.076813 9.770536 
1 1 1  -36    2   30 o  323.585   6.3931  711.393   26.508  703.862   32.491  726.383   45.840  321.442   7.4589  325.727   10.385 -4.285156 12.78615 
1 1 1  -36    2   31 o  274.402   6.0958  516.681   21.526  522.995   26.660  504.855   36.489  277.143   7.0986  271.661   9.9118 5.481354 12.19154 
1 1 1  -36    2   32 o  550.665   7.0943  2074.54   52.932  2036.14   74.120  2114.50   75.617  545.470   10.027  555.860   10.039 -10.39026 14.18868 
1 1 1  -36    2   33 o  396.416   5.7941  1071.25   31.113  1029.86   43.418  1114.93   44.606  388.534   8.2463  404.298   8.1417 -15.76428 11.58826 
1 1 1  -36    2   34 o  267.652   4.9949  487.770   18.112  492.628   25.948  483.153   25.294  268.941   7.1198  266.364   7.0074 2.577362 9.989768 
1 1 1  -36    2   35 o  170.159   4.9121  197.230   11.316  195.824   16.338  198.526   15.687  169.556   7.1104  170.762   6.7792 -1.206619 9.824195 
1 1 1  -36    2   36 o  168.917   4.9333  194.645   11.272  182.673   16.032  206.348   15.851  163.740   7.2254  174.093   6.7189 -10.35263 9.866607 
1 1 1  -36    2   37 o  227.659   4.9109  353.037   15.145  352.423   21.705  353.620   21.143  227.450   7.0420  227.869   6.8468 -0.4193573 9.821833 
1 1 1  -36    2   38 o  353.051   5.5279  850.035   26.442  864.201   37.860  836.545   36.946  355.912   7.8498  350.190   7.7853 5.721558 11.05581 
1 1 1  -36    2   39 o  386.697   7.1215  1017.62   34.917  1045.91   61.720  1004.30   42.345  389.855   11.683  383.540   8.1472 6.314636 14.24297 
1 1 1  -36    2   40 o  387.796   8.1490  1026.93   42.824   0.0000   0.0000  1026.93   42.824  ?   ?   387.796   8.1490      ?      ? 
1 1 1  -36    2   41 o  159.674   6.2250  172.719   12.632  179.165   22.284  169.666   15.334  161.599   10.176  157.750   7.1731 3.848877 12.45009 
1 1 1  -36    2   42 o  252.251   5.0486  433.941   17.247  413.971   24.279  454.283   24.504  246.362   7.2723  258.140   7.0047 -11.77780 10.09715 
1 1 1  -36    2   43 o  462.884   6.3862  1467.06   40.057  1474.24   57.016  1460.07   56.288  463.982   9.0680  461.786   8.9949 2.195862 12.77248 
1 1 1  -36    2   44 o  288.491   5.2292  567.619   20.434  583.834   29.439  552.542   28.387  292.455   7.4282  284.528   7.3622 7.926971 10.45848 
1 1 1  -36    2   45 o   88.356   6.7120   53.778   8.0033   49.466   11.505   57.821   11.140   84.849   10.006   91.863   8.9491 -7.013664 13.42409 
1 1 1  -36    2   46 o  322.077   5.4157  708.892   23.637  704.461   33.392  713.342   33.464  321.062   7.6748  323.091   7.6431 -2.028687 10.83146 
1 1 1  -36    2   47 o  403.399   7.4235  1126.64   38.169  1137.78   46.802  1104.51   65.957  407.554   8.4741  399.244   12.191 8.309479 14.84695 
1 1 1  -36    2   48 o  287.731   5.2587  565.914   20.504  562.870   29.029  568.945   28.965  286.949   7.4652  288.513   7.4085 -1.563629 10.51736 
1 1 1  -36    2   49 o  217.141   5.0880  322.214   14.969  323.569   21.381  320.910   20.965  217.574   7.2518  216.708   7.1389 0.8665314 10.17605 
1 1 1  -36    2   50 o  244.047   5.1111  406.991   16.898  417.985   24.268  396.645   23.543  247.240   7.2432  240.855   7.2131 6.384903 10.22223 
1 1 1  -36    2   51 o  270.132   5.1966  499.072   19.018  513.150   27.256  485.716   26.548  273.844   7.3447  266.420   7.3534 7.423920 10.39317 
1 1 1  -36    2   52 o  207.667   6.1213  299.980   16.528  309.871   20.848  283.243   27.118  212.780   7.2301  202.555   9.8796 10.22505 12.24257 
1 1 1  -36    2   53 o  278.015   6.3588  537.500   22.999  551.894   28.984  513.026   37.794  283.760   7.5375  272.270   10.243 11.49088 12.71768 
1 1 1  -36    2   54 o  264.240   5.2572  478.884   18.817  465.501   26.690  492.111   26.534  260.515   7.5603  267.965   7.3071 -7.449707 10.51436 
1 1 1  -36    2   55 o  109.228   6.1880   82.572   9.1156   74.304   13.001   90.569   12.785  103.718   9.2497  114.738   8.2226 -11.01998 12.37607 
1 1 1  -36    2   56 o  220.498   5.1116  333.449   15.271  341.829   21.812  325.393   21.387  223.221   7.2107  217.775   7.2469 5.446243 10.22312 
1 1 1  -36    2   57 o  164.176   5.3377  185.758   11.834  169.017   16.799  202.251   16.674  156.698   7.9111  171.653   7.1680 -14.95581 10.67548 
1 1 1  -36    2   58 o  332.618   6.7630  759.320   28.659  794.187   50.336  742.595   34.862  336.887   11.026  328.350   7.8348 8.537384 13.52602 
1 1 1  -36    2   59 o  104.154   8.1064   75.075   10.308   79.070   19.520   73.530   12.138  105.242   13.687  103.065   8.6905 2.177124 16.21289 
1 1 1  -36    2   60 o  317.739   6.9278  700.735   27.597  712.709   49.576  695.358   33.221  317.990   11.505  317.488   7.7214 0.5018311 13.85562 
1 1 1  -36    2   61 o   67.368   8.3471   32.798   7.4012   29.861   10.750   35.444   10.205   63.688   12.897   71.048   10.600 -7.359760 16.69418 
1 1 1  -36    2   62 o   64.902   8.5183   30.829   7.2549   25.733   10.504   35.477   10.033   58.757   13.478   71.047   10.420 -12.28977 17.03666 
1 1 1  -36    2   63 o  170.969   6.8580  211.230   14.568  222.588   17.723  187.572   25.579  179.516   7.2853  162.423   11.621 17.09326 13.71607 
1 1 1  -36    2   64 o   87.488   8.7271   52.307   9.5532   48.362   11.327   62.026   17.781   82.862   10.087   92.115   14.244 -9.252716 17.45418 
1 1 1  -36    2   65 o  105.624   5.9787   77.848   8.5535   75.101   12.093   80.598   12.100  103.705   8.6053  107.544   8.3024 -3.838829 11.95745 
1 1 1  -36    2   66 o  151.431   5.2166  159.120   10.703  162.027   15.101  156.185   15.172  152.863   7.2899  149.999   7.4639 2.863876 10.43324 
1 1 1  -36    2   67 o   32.349   8.9801   3.7247   6.0933  -1.8444   8.4641   9.7160   8.7791   26.631   11.805   38.068   13.536 -11.43695 17.96026 
1 1 1  -36    2   68 o  138.396   5.3630  133.535   10.054  135.750   14.110  131.250   14.331  139.627   7.4570  137.166   7.7099 2.461258 10.72609 
1 1 1  -36    2   69 o   36.080   9.5605   7.0429   6.9785   13.270   8.8747  -3.0447   11.296   42.270   13.624   29.890   13.417 12.38006 19.12102 
1 1 1  -36    2   70 o   95.183   7.1266   62.419   8.9758   54.049   11.299   76.738   14.778   87.113   9.5711  103.253   10.562 -16.14060 14.25326 
1 1 1  -36    2   71 o   58.300   9.7908   26.419   7.5069   26.272   9.6705   26.643   11.908   58.696   12.539   57.904   15.041 0.7919884 19.58154 
1 1 1  -36    2   72 o   95.910   8.1079   67.232   10.391   82.241   15.132   53.842   14.294  106.619   10.473   85.202   12.380 21.41750 16.21583 
1 1 1  -36    2   73 o  118.205   7.4087  101.294   11.861  105.977   17.021   96.874   16.537  120.926   10.387  115.484   10.567 5.441719 14.81731 
1 1 1  -36    2   74 o   63.384   10.008   31.812   8.8122   19.074   12.311   45.194   12.619   48.750   16.068   78.019   11.936 -29.26845 20.01575 
1 1 1  -36    2   75 o  147.016   9.9320  156.549   19.787   0.0000   0.0000  156.549   19.787  ?   ?   147.016   9.9320      ?      ? 
1 1 1  -36    2   76 o   39.554   15.040   10.643   11.144   0.0000   0.0000   10.643   11.144  ?   ?    39.554   15.040      ?      ? 
1 1 1  -36    3    1 o  159.774   6.2021  173.693   13.429   0.0000   0.0000  173.693   13.429  ?   ?   159.774   6.2021      ?      ? 
1 1 1  -36    3    2 o  204.680   4.5575  284.872   12.618  289.077   18.467  281.190   17.282  206.072   6.6129  203.288   6.2733 2.783401 9.115101 
1 1 1  -36    3    3 o  176.145   6.6491  211.206   15.871  211.206   15.871   0.0000   0.0000  176.145   6.6491  ?   ?       ?      ? 
1 1 1  -36    3    4 o  251.417   5.7885  427.363   18.735  419.017   23.029  443.700   32.220  248.079   6.8502  254.756   9.3329 -6.676834 11.57703 
1 1 1  -36    3    5 o  140.421   5.7709  133.151   10.513  129.929   13.024  139.175   17.809  138.137   6.9574  142.705   9.2091 -4.567688 11.54180 
1 1 1  -36    3    6 o  198.909   5.6477  270.782   14.528  273.160   18.074  266.443   24.419  200.340   6.6574  197.478   9.1250 2.862183 11.29545 
1 1 1  -36    3    7 o  166.326   6.7858  188.300   15.295  188.300   15.295   0.0000   0.0000  166.326   6.7858  ?   ?       ?      ? 
1 1 1  -36    3    8 o  346.785   5.3348  818.552   25.040  763.380   34.858  877.372   35.993  334.688   7.6857  358.883   7.4008 -24.19492 10.66964 
1 1 1  -36    3    9 o  241.604   4.7694  396.409   15.592  412.390   22.820  382.416   21.354  246.146   6.8414  237.062   6.6472 9.084244 9.538892 
1 1 1  -36    3   10 o  256.244   4.8251  447.005   16.744  443.587   24.073  450.209   23.305  255.272   6.9589  257.216   6.6859 -1.944138 9.650265 
1 1 1  -36    3   11 o  329.365   5.2549  738.897   23.445  739.498   33.644  738.330   32.689  329.470   7.5354  329.259   7.3261 0.2115479 10.50970 
1 1 1  -36    3   12 o  577.722   7.3080  2283.67   57.203  2223.33   80.145  2346.33   81.671  569.922   10.377  585.523   10.293 -15.60126 14.61609 
1 1 1  -36    3   13 o  194.006   5.1719  248.366   12.022  239.794   13.927  273.422   23.811  187.858   5.4708  200.154   8.7787 -12.29608 10.34385 
1 1 1  -36    3   14 o  271.769   5.4865  488.061   17.632  472.910   20.296  534.663   35.597  263.788   5.6778  279.750   9.3898 -15.96167 10.97298 
1 1 1  -36    3   15 o  356.741   6.1746  860.101   26.033  851.473   30.107  885.667   51.825  353.841   6.2787  359.640   10.634 -5.799591 12.34916 
1 1 1  -36    3   16 o  380.956   6.4142  991.974   28.990  993.139   33.690  988.649   56.905  382.094   6.5065  379.818   11.056 2.275879 12.82833 
1 1 1  -36    3   17 o  501.504   7.5781  1716.12   44.827  1709.64   51.881  1735.22   89.047  500.950   7.6424  502.057   13.088 -1.107330 15.15613 
1 1 1  -36    3   18 o  280.951   5.6170  529.019   18.796  519.459   21.785  556.870   37.182  276.449   5.8150  285.453   9.6120 -9.004517 11.23409 
1 1 1  -36    3   19 o  516.751   7.7112  1780.94   46.394  1736.29   53.080  1925.42   95.493  504.797   7.7594  528.704   13.328 -23.90631 15.42247 
1 1 1  -36    3   20 f  389.461   6.4610  1011.83   29.624  988.274   34.086  1084.53   59.887  381.135   6.5996  397.787   11.110 -16.65204 12.92201 
1 1 1  -36    3   21 o  370.754   6.7883  942.564   32.630  950.435   40.719  928.439   54.546  373.396   8.0472  368.111   10.935 5.285370 13.57657 
1 1 1  -36    3   22 o  277.765   6.0613  525.298   21.944  522.433   27.470  530.351   36.480  276.979   7.3186  278.551   9.6642 -1.572021 12.12262 
1 1 1  -36    3   23 o  194.078   4.7146  256.325   12.397  250.012   17.529  262.640   17.533  191.678   6.7486  196.479   6.5852 -4.801270 9.429124 
1 1 1  -36    3   24 o  579.567   7.3231  2299.14   57.514  2294.95   81.411  2303.31   81.265  579.030   10.375  580.104   10.337 -1.074585 14.64611 
1 1 1  -36    3   25 o  345.952   6.5061  812.164   28.904  800.988   35.482  834.208   49.832  342.870   7.6365  349.034   10.536 -6.164612 13.01213 
1 1 1  -36    3   26 o  274.586   5.9928  513.870   21.209  512.676   26.212  516.135   36.093  274.415   7.0487  274.757   9.6937 -0.3413696 11.98553 
1 1 1  -36    3   27 o  252.116   5.9001  430.803   19.194  424.585   23.682  442.707   32.768  249.733   6.9977  254.499   9.5013 -4.766113 11.80014 
1 1 1  -36    3   28 o  349.026   7.7690  834.776   36.736  858.857   52.594  811.835   51.335  353.947   10.965  344.105   11.009 9.841492 15.53799 
1 1 1  -36    3   29 o  180.486   6.8745  222.280   16.793  237.653   24.379  208.400   23.165  186.423   9.6503  174.549   9.7933 11.87433 13.74909 
1 1 1  -36    3   30 o  212.206   5.8881  305.196   16.031  300.962   19.660  313.598   27.694  210.254   6.9003  214.158   9.5427 -3.904205 11.77610 
1 1 1  -36    3   31 o  153.528   4.9067  159.763   10.185  172.828   15.010  148.612   13.866  159.318   6.9522  147.738   6.9260 11.57985 9.813401 
1 1 1  -36    3   32 o  261.402   4.9383  465.094   17.486  472.808   25.169  457.897   24.310  263.484   7.0490  259.320   6.9178 4.163483 9.876521 
1 1 1  -36    3   33 o  192.818   4.8251  253.430   12.593  241.650   17.930  264.896   17.690  188.363   7.0242  197.272   6.6172 -8.909195 9.650255 
1 1 1  -36    3   34 o  219.573   4.8571  328.270   14.444  329.713   20.815  326.930   20.059  220.020   6.9812  219.126   6.7550 0.8943634 9.714274 
1 1 1  -36    3   35 o  177.134   4.9023  213.303   11.752  221.428   17.164  206.132   16.125  180.291   7.0251  173.977   6.8394 6.314438 9.804616 
1 1 1  -36    3   36 o  226.566   6.0235  347.889   17.203  358.082   30.767  343.253   20.749  228.635   9.9304  224.496   6.8205 4.139160 12.04703 
1 1 1  -36    3   37 o  324.462   6.5628  719.995   26.986  721.212   47.453  719.414   32.808  324.104   10.804  324.820   7.4534 -0.7151489 13.12570 
1 1 1  -36    3   38 o  295.966   5.1921  597.544   20.814  584.422   29.681  610.239   29.195  292.733   7.4821  299.200   7.2006 -6.467621 10.38417 
1 1 1  -36    3   39 o  286.945   5.1426  561.341   19.990  564.987   28.678  557.894   27.880  287.831   7.3524  286.059   7.1921 1.772552 10.28512 
1 1 1  -36    3   40 o  103.035   5.9173   72.714   8.2276   70.615   12.101   74.518   11.220  101.604   8.7886  104.466   7.9259 -2.862061 11.83466 
1 1 1  -36    3   41 o  235.330   6.0882  377.496   18.172  382.475   31.997  375.125   22.079  236.086   10.001  234.574   6.9456 1.512711 12.17644 
1 1 1  -36    3   42 o   81.784   8.2014   42.751   8.5676   56.557   15.598   36.786   10.253   90.399   12.733   73.168   10.340 17.23154 16.40273 
1 1 1  -36    3   43 f  130.905   5.4121  116.557   9.5806  126.525   14.064  107.926   13.087  136.110   7.6251  125.701   7.6825 10.40862 10.82418 
1 1 1  -36    3   44 o  162.330   5.1492  179.937   11.315  178.913   16.359  180.877   15.667  161.857   7.4584  162.803   7.1015 -0.9456024 10.29845 
1 1 1  -36    3   45 o  142.294   5.3748  139.279   10.283  121.090   14.687  156.769   14.403  133.031   8.1472  151.557   7.0126 -18.52652 10.74958 
1 1 1  -36    3   46 o  329.561   5.4407  742.745   24.295  732.876   34.492  752.463   34.226  327.357   7.7752  331.766   7.6127 -4.409088 10.88148 
1 1 1  -36    3   47 o  217.472   5.0244  323.154   14.802  318.507   21.125  327.636   20.746  215.907   7.2201  219.036   6.9892 -3.129776 10.04883 
1 1 1  -36    3   48 o  123.504   6.9997  103.181   11.105   99.347   13.570  110.953   19.322  120.388   8.3177  126.620   11.260 -6.232033 13.99937 
1 1 1  -36    3   49 o  235.413   5.0679  378.518   16.158  389.981   23.352  367.990   22.380  238.814   7.2158  232.012   7.1181 6.802612 10.13579 
1 1 1  -36    3   50 o  148.060   6.3063  152.028   12.201  155.951   15.462  145.551   19.865  150.916   7.5603  145.203   10.096 5.712311 12.61264 
1 1 1  -36    3   51 o  140.323   6.4484  135.977   11.909  137.327   15.185  133.819   19.194  141.505   7.9186  139.141   10.180 2.364532 12.89685 
1 1 1  -36    3   52 o  200.737   5.1553  276.056   14.020  271.602   19.930  280.419   19.727  199.105   7.3867  202.369   7.1934 -3.263794 10.31063 
1 1 1  -36    3   53 o  187.439   5.1578  240.347   13.089  251.258   19.014  230.522   18.044  191.465   7.3285  183.413   7.2598 8.051208 10.31557 
1 1 1  -36    3   54 o  107.305   6.1396   79.582   8.9003   74.569   12.801   84.273   12.383  103.938   9.0886  110.672   8.2568 -6.733864 12.27911 
1 1 1  -36    3   55 o  160.378   5.2991  177.030   11.488  165.530   16.418  188.062   16.081  155.172   7.8079  165.584   7.1664 -10.41226 10.59819 
1 1 1  -36    3   56 f  119.786   5.7977   98.525   9.3927  104.640   13.822   93.279   12.803  123.207   8.2786  116.364   8.1190 6.842583 11.59542 
1 1 1  -36    3   57 o  185.995   6.4909  236.014   15.046  249.192   27.589  230.436   17.950  188.854   10.780  183.136   7.2327 5.717850 12.98173 
1 1 1  -36    3   58 o  217.193   7.1766  324.307   21.123   0.0000   0.0000  324.307   21.123  ?   ?   217.193   7.1766      ?      ? 
1 1 1  -36    3   59 o  119.263   7.4054  105.814   10.847   82.723   18.643  117.631   13.336  107.879   12.752  130.647   7.5327 -22.76847 14.81088 
1 1 1  -36    3   60 o  130.921   5.5916  118.237   9.9052  122.403   14.498  114.590   13.565  133.035   8.0417  128.806   7.7713 4.229141 11.18313 
1 1 1  -36    3   61 o   63.057   8.7707   29.495   7.2642   23.360   10.710   34.721   9.8854   55.805   14.144   70.309   10.375 -14.50345 17.54149 
1 1 1  -36    3   62 o  120.323   5.7173  100.565   9.2992   97.849   13.520  103.004   12.811  118.666   8.4074  121.980   7.7502 -3.314232 11.43460 
1 1 1  -36    3   63 o   43.277   9.3688   12.670   6.5194   21.106   9.4618   5.0450   8.9956   53.069   13.209   33.484   13.290 19.58463 18.73764 
1 1 1  -36    3   64 o   66.649   10.649   30.302   8.5701   25.556   9.9719   43.714   16.762   58.444   12.933   74.855   16.922 -16.41012 21.29829 
1 1 1  -36    3   65 o  157.279   5.2432  171.605   11.174  172.064   15.739  171.139   15.868  157.511   7.3738  157.046   7.4559 0.4647522 10.48631 
1 1 1  -36    3   66 o  102.126   6.0128   72.967   8.2911   65.001   11.534   81.487   11.927   96.227   8.8447  108.026   8.1476 -11.79917 12.02551 
1 1 1  -36    3   67 o   54.000   8.7672   21.821   6.7271   11.445   9.4185   32.625   9.6115   40.405   14.048   67.594   10.493 -27.18824 17.53432 
1 1 1  -36    3   68 o   62.755   9.5463   29.921   7.7826   29.077   10.145   31.127   12.132   62.137   12.482   63.372   14.448 -1.234970 19.09259 
1 1 1  -36    3   69 o  124.630   6.5083  110.285   10.694  110.811   13.675  109.457   17.158  125.676   8.0295  123.585   10.245 2.091515 13.01666 
1 1 1  -36    3   70 o  132.422   6.3658  124.748   11.068  125.951   14.082  122.804   17.902  134.026   7.7533  130.817   10.099 3.208923 12.73164 
1 1 1  -36    3   71 o  121.244   6.5015  103.221   10.340   98.871   12.975  110.794   17.120  118.467   8.0819  124.020   10.186 -5.552864 13.00302 
1 1 1  -36    3   72 o   82.690   9.4776   52.478   10.201   42.740   14.432   62.198   14.420   73.404   15.015   91.975   11.569 -18.57148 18.95516 
1 1 1  -36    3   73 o  153.632   9.8107  170.135   20.425   0.0000   0.0000  170.135   20.425  ?   ?   153.632   9.8107      ?      ? 
1 1 1  -36    3   74 o  124.148   10.182  111.898   17.130   0.0000   0.0000  111.898   17.130  ?   ?   124.148   10.182      ?      ? 
1 1 1  -36    3   75 o  190.169   9.7379  261.679   25.095   0.0000   0.0000  261.679   25.095  ?   ?   190.169   9.7379      ?      ? 
1 1 1  -36    3   76 o  148.453   9.9359  160.271   19.988   0.0000   0.0000  160.271   19.988  ?   ?   148.453   9.9359      ?      ? 
1 1 1  -36    4    1 o  181.108   5.3952  219.730   12.868  207.696   16.185  240.412   21.217  174.607   6.8400  187.609   8.3454 -13.00188 10.79035 
1 1 1  -36    4    2 o  263.345   4.7862  473.283   17.044  452.690   24.562  492.405   23.670  257.755   7.0320  268.934   6.4947 -11.17953 9.572360 
1 1 1  -36    4    3 o  105.306   5.0795   75.292   7.1850   77.616   10.982   73.554   9.5007  106.686   7.5960  103.927   6.7460 2.758957 10.15910 
1 1 1  -36    4    4 o  139.234   4.7092  131.879   8.8329  133.032   13.257  130.959   11.845  139.746   7.0005  138.723   6.3008 1.022812 9.418499 
1 1 1  -36    4    5 o  245.734   4.7400  410.963   15.747  413.557   23.112  408.715   21.513  246.419   6.9211  245.049   6.4783 1.368973 9.479980 
1 1 1  -36    4    6 o  258.896   4.7977  456.071   16.801  461.225   24.578  451.551   23.019  260.233   6.9694  257.559   6.5953 2.674713 9.595304 
1 1 1  -36    4    7 o  358.636   5.4119  877.348   26.285  846.113   37.317  908.104   37.030  352.250   7.8176  365.022   7.4860 -12.77228 10.82385 
1 1 1  -36    4    8 o  116.284   5.0774   91.610   7.9690   97.543   11.934   86.835   10.706  119.648   7.3601  112.920   6.9962 6.727882 10.15471 
1 1 1  -36    4    9 o  127.099   6.2065  110.166   10.190  109.814   12.622  110.827   17.265  126.957   7.3367  127.241   10.013 -0.2835236 12.41297 
1 1 1  -36    4   10 o  445.758   7.5697  1370.66   43.450  1390.70   53.895  1333.46   73.440  451.268   8.8131  440.248   12.310 11.01981 15.13942 
1 1 1  -36    4   11 o  472.858   9.1237  1527.71   58.464  1527.71   58.464   0.0000   0.0000  472.858   9.1237  ?   ?       ?      ? 
1 1 1  -36    4   12 o  505.482   7.5755  1737.81   45.125  1724.21   52.150  1778.36   90.022  502.980   7.6510  507.985   13.077 -5.004761 15.15094 
1 1 1  -36    4   13 o  240.641   5.3270  389.741   15.393  384.253   17.939  405.066   29.975  237.774   5.5672  243.507   9.0837 -5.733414 10.65401 
1 1 1  -36    4   14 o  188.614   5.1349  239.973   11.758  237.107   13.800  247.567   22.460  186.792   5.4519  190.436   8.7033 -3.644028 10.26985 
1 1 1  -36    4   15 o  101.076   5.9852   72.183   7.3271   75.578   8.7251   64.062   13.495  105.420   6.1075   96.731   10.295 8.689064 11.97047 
1 1 1  -36    4   16 f  162.870   5.2317  180.365   10.355  179.936   12.190  181.476   19.626  162.716   5.5284  163.025   8.8837 -0.3086090 10.46347 
1 1 1  -36    4   17 f  356.138   6.1223  852.503   25.855  838.733   29.911  893.200   51.423  351.152   6.2857  361.124   10.508 -9.972290 12.24450 
1 1 1  -36    4   18 o  184.309   5.2745  233.598   11.749  236.311   13.833  226.575   22.257  186.478   5.4741  182.139   9.0175 4.338882 10.54894 
1 1 1  -36    4   19 o  357.438   6.5440  870.719   30.014  866.010   36.890  879.940   51.623  356.488   7.6363  358.388   10.629 -1.900269 13.08797 
1 1 1  -36    4   20 o  162.109   5.5538  177.003   11.673  172.011   14.437  186.427   19.836  158.981   6.7012  165.237   8.8585 -6.256668 11.10756 
1 1 1  -36    4   21 o   92.152   7.2344   63.897   8.1593   78.992   10.455   40.379   13.050  107.701   7.1635   76.603   12.571 31.09834 14.46877 
1 1 1  -36    4   22 o  182.452   5.5986  229.022   13.300  234.754   16.758  219.271   21.859  185.729   6.6584  179.176   9.0024 6.552994 11.19724 
1 1 1  -36    4   23 o  247.355   5.8487  411.993   18.956  397.085   23.740  438.224   31.490  241.452   7.2554  253.257   9.1755 -11.80443 11.69742 
1 1 1  -36    4   24 o  508.457   8.1630  1740.20   52.971  1674.71   64.286  1878.71   93.490  494.888   9.5857  522.027   13.216 -27.13828 16.32608 
1 1 1  -36    4   25 o  474.055   6.3702  1535.17   40.921  1516.99   57.845  1553.38   57.896  471.224   9.0585  476.886   8.9589 -5.661621 12.74042 
1 1 1  -36    4   26 f  464.568   6.2845  1474.12   39.563  1467.33   56.101  1480.85   55.802  463.484   8.9321  465.652   8.8431 -2.168091 12.56907 
1 1 1  -36    4   27 o  124.133   5.0739  104.236   8.5054  115.927   12.629   94.532   11.506  130.461   7.1435  117.804   7.2075 12.65733 10.14780 
1 1 1  -36    4   28 o  116.949   5.2734   93.245   8.3364   92.620   12.208   93.792   11.411  116.556   7.7289  117.341   7.1764 -0.7852402 10.54687 
1 1 1  -36    4   29 o  381.604   5.6453  992.619   29.180  1014.25   42.049  972.527   40.526  385.591   8.0472  377.617   7.9196 7.974030 11.29058 
1 1 1  -36    4   30 o  274.867   5.0155  514.759   18.678  503.999   26.477  525.417   26.352  271.989   7.1835  277.746   7.0014 -5.757080 10.03106 
1 1 1  -36    4   31 o  262.431   6.0763  463.938   20.424  451.219   24.925  489.931   35.631  257.350   7.1470  267.511   9.8288 -10.16043 12.15251 
1 1 1  -36    4   32 f  125.335   6.5944  108.214   10.258  105.523   18.605  109.390   12.296  123.965   11.075  126.705   7.1611 -2.740616 13.18871 
1 1 1  -36    4   33 f  114.855   7.4039   89.930   11.524   0.0000   0.0000   89.930   11.524  ?   ?   114.855   7.4039      ?      ? 
1 1 1  -36    4   34 o  260.446   10.049  464.888   35.468   0.0000   0.0000  464.888   35.468  ?   ?   260.446   10.049      ?      ? 
1 1 1  -36    4   35 o  180.165   4.9768  221.960   12.098  199.707   17.195  243.775   17.025  171.135   7.4147  189.195   6.6405 -18.06007 9.953591 
1 1 1  -36    4   36 o  298.722   5.1815  607.820   20.959  624.789   30.376  592.402   28.956  302.677   7.4058  294.768   7.2488 7.909393 10.36299 
1 1 1  -36    4   37 f  361.956   5.5776  894.570   27.353  878.557   38.774  910.433   38.593  358.700   7.9768  365.212   7.7980 -6.511475 11.15522 
1 1 1  -36    4   38 o  401.767   5.8760  1101.85   31.970  1139.19   46.265  1067.72   44.228  408.252   8.3626  395.282   8.2568 12.97012 11.75191 
1 1 1  -36    4   39 o  265.714   5.0719  481.888   18.249  462.417   25.898  501.089   25.718  260.338   7.3408  271.090   7.0006 -10.75220 10.14375 
1 1 1  -36    4   40 f  299.585   5.2176  612.625   21.176  608.113   30.248  616.962   29.656  298.474   7.4785  300.696   7.2778 -2.222626 10.43525 
1 1 1  -36    4   41 o  117.354   5.5875   94.016   8.8642   95.506   13.043   92.737   12.084  118.187   8.1436  116.522   7.6527 1.664619 11.17506 
1 1 1  -36    4   42 o  345.716   6.7750  822.198   29.742  815.202   51.945  825.610   36.277  343.829   11.149  347.603   7.7013 -3.773499 13.54992 
1 1 1  -36    4   43 o  173.991   6.0507  205.935   13.335  211.318   23.609  203.413   16.160  175.325   9.9369  172.658   6.9066 2.666779 12.10138 
1 1 1  -36    4   44 o  205.890   4.9631  289.327   13.835  291.077   20.026  287.728   19.135  206.455   7.1579  205.325   6.8771 1.129349 9.926236 
1 1 1  -36    4   45 o  133.786   5.3697  123.058   9.6809  111.616   13.961  133.655   13.436  127.684   8.0685  139.887   7.0877 -12.20316 10.73945 
1 1 1  -36    4   46 o  371.610   5.7279  944.925   28.827  973.446   41.683  918.781   39.908  376.949   8.1601  366.271   8.0404 10.67844 11.45581 
1 1 1  -36    4   47 o  167.933   5.1563  192.758   11.723  194.953   16.991  190.763   16.196  168.817   7.4270  167.050   7.1546 1.766602 10.31256 
1 1 1  -36    4   48 o  132.723   7.9249  120.719   14.254  120.719   14.254   0.0000   0.0000  132.723   7.9249  ?   ?       ?      ? 
1 1 1  -36    4   49 o   58.219   13.956   24.723   10.867   24.723   10.867   0.0000   0.0000   58.219   13.956  ?   ?       ?      ? 
1 1 1  -36    4   50 o  118.233   6.0255   96.945   9.5576   83.301   13.734  109.758   13.309  109.950   9.2176  126.516   7.7628 -16.56588 12.05095 
1 1 1  -36    4   51 o  193.155   5.1627  255.525   13.496  257.366   19.627  253.874   18.587  193.763   7.4746  192.546   7.1234 1.216629 10.32539 
1 1 1  -36    4   52 o  230.186   5.1427  363.530   16.025  353.946   23.001  372.569   22.338  227.162   7.4719  233.211   7.0682 -6.048874 10.28537 
1 1 1  -36    4   53 o  198.803   5.1264  271.293   13.790  266.144   19.940  276.014   19.092  196.919   7.4724  200.688   7.0202 -3.768982 10.25285 
1 1 1  -36    4   54 o  213.695   5.0960  313.019   14.746  321.687   21.358  305.124   20.385  216.492   7.2801  210.899   7.1327 5.592819 10.19193 
1 1 1  -36    4   55 o  131.752   6.9682  114.950   11.366  134.629   21.563  107.378   13.375  138.620   11.479  124.884   7.9032 13.73604 13.93633 
1 1 1  -36    4   56 o  138.395   7.0123  132.194   11.943  135.840   22.218  130.712   14.163  138.975   11.797  137.816   7.5833 1.159622 14.02453 
1 1 1  -36    4   57 o   92.586   6.5980   59.737   8.2320   57.422   12.155   61.699   11.188   90.786   9.8802   94.387   8.7473 -3.600853 13.19593 
1 1 1  -36    4   58 o  133.699   5.5705  123.134   10.061  126.930   14.914  119.964   13.630  135.507   8.1218  131.891   7.6262 3.616074 11.14103 
1 1 1  -36    4   59 o  148.939   6.5743  156.831   12.396  147.650   21.428  161.450   15.198  144.844   10.917  153.035   7.3284 -8.191360 13.14853 
1 1 1  -36    4   60 o  151.722   5.3431  159.297   10.966  150.327   15.635  167.980   15.384  147.405   7.8274  156.039   7.2751 -8.634460 10.68620 
1 1 1  -36    4   61 o  141.012   5.4052  137.770   10.315  132.737   14.779  142.551   14.404  138.406   7.8797  143.619   7.4009 -5.212646 10.81037 
1 1 1  -36    4   62 o  201.142   5.1224  279.889   13.949  266.565   19.755  293.137   19.699  196.262   7.4279  206.022   7.0558 -9.760071 10.24489 
1 1 1  -36    4   63 o   47.080   9.4794   16.114   6.6273   23.241   9.6341   9.7120   9.1310   55.653   13.008   38.508   13.792 17.14515 18.95888 
1 1 1  -36    4   64 o  100.373   8.3443   77.204   10.047   85.018   12.158   60.376   17.840  110.439   8.1236   90.307   14.578 20.13172 16.68856 
1 1 1  -36    4   65 o  130.164   6.8908  113.750   11.277  104.334   13.400  136.612   20.878  122.254   8.0882  138.073   11.158 -15.81931 13.78154 
1 1 1  -36    4   66 o  120.791   6.4546  103.179   10.237  104.106   13.019  101.678   16.570  122.114   7.8671  119.468   10.235 2.645332 12.90927 
1 1 1  -36    4   67 o   54.977   9.9353   23.944   7.4191   26.614   9.5160   19.806   11.847   59.503   12.211   50.451   15.676 9.051582 19.87057 
1 1 1  -36    4   68 o   84.835   7.5345   51.593   8.4271   50.871   10.731   52.754   13.612   84.635   9.3560   85.035   11.813 -0.3997116 15.06899 
1 1 1  -36    4   69 o   97.535   7.0941   68.435   9.0730   69.189   11.532   67.209   14.698   98.955   8.5999   96.115   11.285 2.840172 14.18819 
1 1 1  -36    4   70 o  121.737   6.6112  106.643   10.552  109.736   13.477  101.743   16.963  124.880   7.9640  118.593   10.555 6.286362 13.22246 
1 1 1  -36    4   71 o  162.414   6.1091  183.258   12.925  173.382   16.021  201.671   21.875  157.168   7.5222  167.660   9.6282 -10.49208 12.21823 
1 1 1  -36    4   72 o  142.423   10.178  146.856   19.643   0.0000   0.0000  146.856   19.643  ?   ?   142.423   10.178      ?      ? 
1 1 1  -36    4   73 o  155.176   9.9226  174.198   20.866   0.0000   0.0000  174.198   20.866  ?   ?   155.176   9.9226      ?      ? 
1 1 1  -36    4   74 o   80.529   12.445   48.794   13.580   0.0000   0.0000   48.794   13.580  ?   ?    80.529   12.445      ?      ? 
1 1 1  -36    4   75 o  162.374   9.8618  191.488   21.700   0.0000   0.0000  191.488   21.700  ?   ?   162.374   9.8618      ?      ? 
1 1 1  -36    4   76 o   69.386   14.020   38.381   12.729   0.0000   0.0000   38.381   12.729  ?   ?    69.386   14.020      ?      ? 
1 1 1  -36    5    1 f  410.416   5.7706  1150.20   32.051  1164.86   46.675  1137.12   44.090  412.811   8.3435  408.021   7.9740 4.790100 11.54118 
1 1 1  -36    5    2 o  144.961   4.6387  142.378   9.0102  148.111   13.935  138.258   11.811  147.405   6.9763  142.516   6.1157 4.888474 9.277433 
1 1 1  -36    5    3 o  178.094   4.5715  216.161   10.949  214.632   16.503  217.364   14.633  177.473   6.8620  178.714   6.0421 -1.240112 9.142956 
1 1 1  -36    5    4 o  274.906   4.8618  514.873   18.064  515.867   26.542  514.016   24.654  275.097   7.1199  274.715   6.6225 0.3829346 9.723656 
1 1 1  -36    5    5 o  109.207   6.1219   83.419   8.8355   93.961   11.792   69.927   13.341  117.383   7.4133  101.030   9.7445 16.35365 12.24387 
1 1 1  -36    5    6 o  192.585   5.4208  247.879   13.819  230.710   17.496  276.348   22.530  184.005   7.0166  201.165   8.2647 -17.15962 10.84151 
1 1 1  -36    5    7 o  280.605   4.9493  536.687   18.759  533.746   27.622  539.204   25.557  279.826   7.2842  281.383   6.7024 -1.556183 9.898598 
1 1 1  -36    5    8 o  104.721   6.7876   79.708   8.4656   64.940   15.599   85.873   10.079   97.139   11.850  112.302   6.6229 -15.16291 13.57522 
1 1 1  -36    5    9 o  182.200   5.8275  233.611   13.127  208.987   23.411  244.903   15.854  174.682   9.8899  189.718   6.1667 -15.03662 11.65499 
1 1 1  -36    5   10 o  137.193   5.5538  131.151   9.8382  138.396   12.381  118.741   16.204  142.598   6.4072  131.788   9.0735 10.80930 11.10769 
1 1 1  -36    5   11 f  344.974   6.2999  800.107   27.831  774.196   33.923  853.453   48.676  337.018   7.4278  352.929   10.178 -15.91071 12.59981 
1 1 1  -36    5   12 o  154.265   5.4010  159.575   10.750  153.801   13.199  170.958   18.530  150.322   6.4792  158.208   8.6432 -7.885712 10.80207 
1 1 1  -36    5   13 o  180.878   6.3670  222.640   15.606  222.640   15.606   0.0000   0.0000  180.878   6.3670  ?   ?       ?      ? 
1 1 1  -36    5   14 o  256.505   5.6669  447.328   19.698  447.328   19.698   0.0000   0.0000  256.505   5.6669  ?   ?       ?      ? 
1 1 1  -36    5   15 f  228.767   5.2207  356.143   14.518  355.505   17.096  357.792   27.492  228.690   5.5165  228.843   8.8651 -0.1531677 10.44132 
1 1 1  -36    5   16 o  208.993   5.1739  296.450   13.185  294.942   15.544  300.319   24.894  208.304   5.5065  209.682   8.7610 -1.378311 10.34783 
1 1 1  -36    5   17 o  435.712   6.8282  1272.36   35.114  1245.59   40.482  1353.70   70.569  427.657   6.9853  443.766   11.735 -16.10870 13.65647 
1 1 1  -36    5   18 o  118.597   5.5123   97.163   8.1131   99.119   9.7464   92.749   14.641  120.723   5.9576  116.471   9.2763 4.252464 11.02461 
1 1 1  -36    5   19 o  432.461   6.8268  1263.73   35.009  1247.00   40.534  1312.85   69.458  427.898   6.9904  437.023   11.728 -9.124420 13.65355 
1 1 1  -36    5   20 o  202.972   5.2821  284.758   13.071  290.120   15.504  271.583   24.304  206.590   5.5380  199.354   8.9963 7.236038 10.56422 
1 1 1  -36    5   21 o  222.042   5.2717  333.883   14.258  331.157   16.786  340.944   27.018  220.707   5.6124  223.378   8.9254 -2.670319 10.54334 
1 1 1  -36    5   22 o  248.637   5.3708  415.022   16.194  407.270   18.963  435.896   31.119  244.743   5.7177  252.530   9.0934 -7.786728 10.74159 
1 1 1  -36    5   23 o  173.392   5.2991  205.912   11.274  207.268   13.385  202.603   20.911  174.602   5.6572  172.183   8.9619 2.418945 10.59814 
1 1 1  -36    5   24 o  160.337   5.1945  167.401   10.356  156.628   12.220  194.855   19.507  151.752   5.9424  168.923   8.5216 -17.17082 10.38893 
1 1 1  -36    5   25 f  348.319   6.5636  824.038   29.778  809.401   37.138  850.392   49.833  344.445   7.9563  352.193   10.441 -7.747864 13.12721 
1 1 1  -36    5   26 o  127.013   6.1335  109.304   10.448  104.289   13.692  116.296   16.166  123.612   8.1735  130.414   9.1474 -6.802322 12.26709 
1 1 1  -36    5   27 o  194.998   5.8950  269.547   14.498  230.579   24.601  290.280   17.945  183.483   9.8939  206.513   6.4122 -23.03020 11.79009 
1 1 1  -36    5   28 o  111.286   6.4452   82.134   9.0036   91.493   16.518   78.177   10.739  115.486   10.554  107.087   7.4004 8.398674 12.89038 
1 1 1  -36    5   29 o  288.513   6.1623  565.037   22.479  579.535   39.941  558.315   27.195  290.769   10.137  286.257   7.0106 4.511627 12.32468 
1 1 1  -36    5   30 o  199.132   4.7721  270.306   12.849  266.586   18.736  273.609   17.654  197.799   6.9900  200.464   6.4985 -2.664886 9.544141 
1 1 1  -36    5   31 o  116.368   5.3326   91.989   8.3759   96.395   12.520   88.420   11.269  118.856   7.7730  113.880   7.3024 4.975876 10.66515 
1 1 1  -36    5   32 o  287.246   6.2613  561.896   23.054  556.963   28.282  571.665   39.799  285.800   7.3024  288.693   10.173 -2.892303 12.52257 
1 1 1  -36    5   33 o  183.454   6.0581  231.720   14.285  235.438   17.687  224.745   24.225  185.851   7.0229  181.057   9.8733 4.794617 12.11622 
1 1 1  -36    5   34 o  151.398   5.0264  155.850   10.290  162.611   15.162  150.077   14.012  154.415   7.2458  148.380   6.9683 6.034515 10.05285 
1 1 1  -36    5   35 o  421.682   6.0154  1215.67   34.365  1224.58   49.260  1207.23   47.964  423.148   8.5905  420.216   8.4228 2.931885 12.03081 
1 1 1  -36    5   36 o  136.339   5.2478  127.409   9.6452  119.941   14.115  133.950   13.211  132.516   7.8601  140.163   6.9552 -7.646912 10.49555 
1 1 1  -36    5   37 o  225.014   4.9186  345.202   14.982  346.997   21.717  343.572   20.696  225.541   7.1055  224.487   6.8032 1.053314 9.837222 
1 1 1  -36    5   38 o  155.686   5.0340  165.256   10.600  167.225   15.524  163.535   14.508  156.523   7.3187  154.848   6.9139 1.675522 10.06806 
1 1 1  -36    5   39 o  253.093   6.1693  434.440   19.780  450.796   35.106  426.832   23.942  256.082   10.116  250.103   7.0641 5.979675 12.33853 
1 1 1  -36    5   40 o  215.841   7.1066  320.180   20.773  304.650   29.057  336.416   29.709  210.446   10.189  221.236   9.9095 -10.78940 14.21310 
1 1 1  -36    5   41 o  162.745   5.0246  180.348   11.066  190.649   16.173  171.283   15.173  167.096   7.1426  158.395   7.0688 8.701721 10.04912 
1 1 1  -36    5   42 o  172.494   5.0095  203.705   11.678  193.611   16.864  213.005   16.188  168.318   7.3936  176.670   6.7614 -8.352112 10.01902 
1 1 1  -36    5   43 o  303.554   6.5516  643.207   25.321  602.337   43.315  664.422   31.209  295.348   10.822  311.761   7.3870 -16.41293 13.10321 
1 1 1  -36    5   44 o  232.150   5.0854  368.148   15.978  372.618   23.244  364.143   22.001  233.441   7.3476  230.859   7.0327 2.582092 10.17082 
1 1 1  -36    5   45 o  160.199   5.9998  175.692   12.679  174.336   16.151  177.869   20.466  159.622   7.4665  160.776   9.3938 -1.153854 11.99966 
1 1 1  -36    5   46 f  154.303   6.1104  166.009   12.395  175.040   15.984  152.384   19.633  159.931   7.3750  148.674   9.7446 11.25629 12.22078 
1 1 1  -36    5   47 o  168.928   5.1765  194.542   11.826  209.600   17.390  181.588   16.129  174.981   7.3337  162.875   7.3075 12.10590 10.35291 
1 1 1  -36    5   48 o  258.200   5.1569  456.797   18.029  448.946   25.890  464.188   25.121  255.980   7.4636  260.420   7.1184 -4.439072 10.31387 
1 1 1  -36    5   49 o  166.642   6.5992  183.735   13.952  170.461   16.727  214.083   25.292  157.601   7.8319  175.683   10.623 -18.08235 13.19837 
1 1 1  -36    5   50 o  188.500   6.4671  235.415   15.414  219.421   18.439  272.533   28.090  178.818   7.6092  198.182   10.459 -19.36403 12.93423 
1 1 1  -36    5   51 o  132.808   5.5172  120.919   9.9101  125.362   14.568  117.092   13.520  135.036   7.9611  130.581   7.6406 4.455383 11.03442 
1 1 1  -36    5   52 o  148.984   5.3055  152.119   10.699  159.664   15.595  145.410   14.706  152.455   7.5483  145.514   7.4576 6.940643 10.61098 
1 1 1  -36    5   53 o  274.309   6.5366  517.739   22.481  529.605   40.476  512.446   27.034  275.466   10.843  273.153   7.3033 2.312653 13.07321 
1 1 1  -36    5   54 o   71.592   10.122   33.492   8.6063   48.693   17.043   28.289   9.9711   80.788   16.132   62.395   12.230 18.39297 20.24374 
1 1 1  -36    5   55 o  122.544   5.7492  104.422   9.4740   93.716   13.755  114.085   13.068  116.353   8.7237  128.735   7.4907 -12.38198 11.49846 
1 1 1  -36    5   56 o   81.191   7.0373   45.885   7.7126   47.211   11.487   44.796   10.407   82.169   10.316   80.212   9.5743 1.956772 14.07458 
1 1 1  -36    5   57 o   98.708   6.3876   67.741   8.5189   67.581   12.525   67.878   11.620   98.502   9.3835   98.915   8.6691 -0.4133911 12.77515 
1 1 1  -36    5   58 o   51.809   8.8317   19.737   7.0181   5.9467   10.166   32.296   9.7010   35.836   14.158   67.781   10.562 -31.94464 17.66342 
1 1 1  -36    5   59 o  174.673   6.3010  215.125   14.023  204.614   24.016  220.562   17.273  170.533   10.392  178.813   7.1283 -8.280396 12.60203 
1 1 1  -36    5   60 o  141.603   5.4896  140.089   10.422  118.596   14.875  160.812   14.606  130.575   8.4067  152.632   7.0618 -22.05717 10.97913 
1 1 1  -36    5   61 o  111.610   5.8425   86.795   8.8096   85.344   12.906   88.062   12.055  110.608   8.6100  112.612   7.8997 -2.003456 11.68497 
1 1 1  -36    5   62 o  125.725   5.5599  109.577   9.4497  114.331   13.957  105.553   12.840  128.165   8.0361  123.286   7.6857 4.878471 11.11975 
1 1 1  -36    5   63 o  116.822   5.7207   95.619   9.0080   89.057   13.119  101.472   12.391  112.804   8.5821  120.840   7.5667 -8.035950 11.44148 
1 1 1  -36    5   64 o   80.619   10.076   46.155   11.008   46.155   11.008   0.0000   0.0000   80.619   10.076  ?   ?       ?      ? 
1 1 1  -36    5   65 o  168.068   7.3778  196.615   16.803  196.615   16.803   0.0000   0.0000  168.068   7.3778  ?   ?       ?      ? 
1 1 1  -36    5   66 o  131.658   6.1977  117.466   10.764  102.660   13.470  143.617   17.902  120.943   8.2189  142.374   9.2788 -21.43103 12.39544 
1 1 1  -36    5   67 o  117.973   6.4881   98.269   10.105   96.654   12.882  100.853   16.294  117.302   8.1037  118.644   10.135 -1.342354 12.97611 
1 1 1  -36    5   68 o   52.319   9.9646   20.056   7.3222   13.378   9.4082   30.316   11.661   42.320   14.051   62.319   14.133 -19.99862 19.92920 
1 1 1  -36    5   69 o   98.161   7.0600   68.507   9.1440   65.917   11.593   72.769   14.875   96.326   8.8812   99.996   10.977 -3.670029 14.12009 
1 1 1  -36    5   70 o   68.473   10.700   40.284   10.080   21.702   15.686   53.354   13.155   51.681   18.120   85.265   11.386 -33.58413 21.40048 
1 1 1  -36    5   71 o   64.615   11.250   35.313   9.8522   27.581   15.537   40.513   12.741   56.989   17.990   72.241   13.512 -15.25228 22.49934 
1 1 1  -36    5   72 o   85.103   12.154   54.092   14.017   0.0000   0.0000   54.092   14.017  ?   ?    85.103   12.154      ?      ? 
1 1 1  -36    5   73 o   65.442   14.765   34.508   12.783   0.0000   0.0000   34.508   12.783  ?   ?    65.442   14.765      ?      ? 
1 1 1  -36    5   74 o   88.535   12.015   58.811   14.415   0.0000   0.0000   58.811   14.415  ?   ?    88.535   12.015      ?      ? 
1 1 1  -36    5   75 o   41.308   15.521   12.355   11.784   0.0000   0.0000   12.355   11.784  ?   ?    41.308   15.521      ?      ? 
1 1 1  -36    5   76 o   32.511   13.916   2.8306   10.920   0.0000   0.0000   2.8306   10.920  ?   ?    32.511   13.916      ?      ? 
1 1 1  -36    6    1 o  226.205   4.5916  349.532   13.983  341.953   20.884  355.689   18.824  223.894   6.8833  228.516   6.0789 -4.621323 9.183298 
1 1 1  -36    6    2 o  193.091   4.5539  254.271   11.791  252.777   17.997  255.394   15.607  192.512   6.8986  193.670   5.9465 -1.157822 9.107777 
1 1 1  -36    6    3 o  429.932   5.9468  1265.21   34.616  1244.05   49.757  1285.06   48.191  426.346   8.6120  433.518   8.2030 -7.172119 11.89354 
1 1 1  -36    6    4 o  237.764   4.6710  386.248   14.973  374.682   22.140  395.995   20.325  234.398   6.9702  241.131   6.2200 -6.732269 9.341948 
1 1 1  -36    6    5 o  226.392   4.6408  349.409   14.164  347.419   21.095  351.044   19.114  225.739   6.8959  227.046   6.2124 -1.306595 9.281578 
1 1 1  -36    6    6 o  224.518   4.6564  344.564   14.088  331.641   20.831  355.457   19.124  220.551   6.9699  228.485   6.1766 -7.933777 9.312845 
1 1 1  -36    6    7 o  304.333   5.0506  631.405   20.774  634.132   30.543  629.058   28.337  304.875   7.3928  303.791   6.8833 1.083923 10.10121 
1 1 1  -36    6    8 o  121.841   5.6303  101.179   9.2139   99.906   12.209  102.863   14.044  121.012   7.4449  122.670   8.4483 -1.657356 11.26058 
1 1 1  -36    6    9 o   90.632   6.5313   57.539   7.8327   66.086   10.577   47.161   11.656   98.380   7.9337   82.883   10.377 15.49689 13.06254 
1 1 1  -36    6   10 o  264.558   5.2972  470.498   16.914  462.351   19.756  492.856   32.728  260.728   5.5916  268.387   8.9985 -7.659241 10.59432 
1 1 1  -36    6   11 o  102.008   5.4810   69.061   7.0025   66.092   8.3451   76.126   12.873   98.533   6.2498  105.484   9.0058 -6.951042 10.96198 
1 1 1  -36    6   12 o  441.302   6.8592  1320.28   35.914  1305.42   41.618  1363.63   71.077  437.654   7.0172  444.950   11.788 -7.296234 13.71842 
1 1 1  -36    6   13 o  231.779   5.2074  364.318   14.710  361.743   17.330  370.954   27.827  230.641   5.5446  232.916   8.8163 -2.274887 10.41484 
1 1 1  -36    6   14 o  515.261   7.6772  1818.19   46.965  1812.16   54.558  1835.44   92.285  515.313   7.8128  515.209   13.218 0.1031494 15.35434 
1 1 1  -36    6   15 f  355.102   6.3232  858.390   30.428  858.390   30.428   0.0000   0.0000  355.102   6.3232  ?   ?       ?      ? 
1 1 1  -36    6   16 o  296.515   5.8964  598.137   23.693  598.137   23.693   0.0000   0.0000  296.515   5.8964  ?   ?       ?      ? 
1 1 1  -36    6   17 o  574.162   8.3089  2221.28   55.802  2175.06   64.066  2366.58  113.584  564.279   8.3782  584.044   14.351 -19.76465 16.61787 
1 1 1  -36    6   18 o  187.134   5.3039  243.543   12.232  250.633   14.657  227.274   22.203  191.974   5.6339  182.293   8.9880 9.681351 10.60782 
1 1 1  -36    6   19 o  562.234   8.7579  2185.77   63.493  2199.22   78.726  2160.74  107.392  566.261   10.259  558.206   14.197 8.054565 17.51587 
1 1 1  -36    6   20 o  292.049   6.0010  577.001   22.815  562.551   28.385  603.373   38.348  287.252   7.2920  296.845   9.5329 -9.592621 12.00208 
1 1 1  -36    6   21 f  361.793   6.5810  883.764   30.774  856.742   37.909  935.986   52.700  354.301   7.8955  369.285   10.531 -14.98425 13.16200 
1 1 1  -36    6   22 o  525.173   8.3234  1895.86   56.311  1888.49   69.560  1909.90   95.916  524.997   9.7773  525.350   13.473 -0.3529663 16.64675 
1 1 1  -36    6   23 f  241.883   5.3470  391.057   15.884  380.501   18.719  418.198   30.016  236.499   5.8409  247.267   8.9580 -10.76840 10.69401 
1 1 1  -36    6   24 o  447.530   7.0236  1371.41   37.582  1369.65   43.844  1376.27   72.971  448.215   7.2185  446.844   12.051 1.370789 14.04726 
1 1 1  -36    6   25 o  113.047   5.8251   87.644   8.3370   88.288   10.147   86.304   14.627  113.854   6.5764  112.239   9.6165 1.615692 11.65013 
1 1 1  -36    6   26 o  263.726   5.5351  476.034   17.939  477.815   21.308  471.698   33.240  264.989   5.9337  262.463   9.3455 2.526642 11.07016 
1 1 1  -36    6   27 o   99.833   6.6630   67.048   8.8824   52.866   11.797   85.610   13.497   87.803   9.9150  111.863   8.9035 -24.06007 13.32590 
1 1 1  -36    6   28 o  134.297   5.4802  120.690   9.3169  116.531   11.225  129.898   16.703  130.817   6.3322  137.777   8.9462 -6.959747 10.96046 
1 1 1  -36    6   29 o  317.022   6.2657  686.861   25.802  684.703   32.182  690.744   43.173  316.768   7.4969  317.276   10.041 -0.5087891 12.53131 
1 1 1  -36    6   30 o  232.919   4.8526  370.242   15.297  358.423   21.968  381.366   21.312  229.263   7.0710  236.574   6.6478 -7.311432 9.705249 
1 1 1  -36    6   31 o  230.516   4.8524  362.372   15.140  359.834   21.912  364.690   20.942  229.707   7.0393  231.326   6.6806 -1.618423 9.704720 
1 1 1  -36    6   32 o  246.819   4.9006  415.508   16.371  413.411   23.711  417.420   22.632  246.183   7.1073  247.455   6.7490 -1.272049 9.801135 
1 1 1  -36    6   33 o  443.700   7.6805  1370.28   43.783  1404.76   54.346  1306.50   73.906  452.919   8.8545  434.481   12.552 18.43774 15.36110 
1 1 1  -36    6   34 o  208.115   4.8622  295.541   13.702  291.353   19.692  299.472   19.077  206.653   7.0316  209.576   6.7172 -2.922272 9.724454 
1 1 1  -36    6   35 o  238.125   4.8837  386.609   15.740  391.052   22.882  382.619   21.687  239.388   7.0535  236.862   6.7565 2.526337 9.767396 
1 1 1  -36    6   36 o  266.841   4.9941  486.073   18.048  483.327   25.938  488.650   25.129  266.074   7.1937  267.608   6.9293 -1.533844 9.988207 
1 1 1  -36    6   37 f  158.486   4.9786  171.794   10.658  166.791   15.579  176.196   14.613  156.259   7.3570  160.714   6.7097 -4.454407 9.957218 
1 1 1  -36    6   38 o  108.644   5.7760   81.784   8.3978   70.159   12.222   92.180   11.558  101.135   8.9180  116.153   7.3430 -15.01804 11.55206 
1 1 1  -36    6   39 o  106.645   5.8450   77.770   8.4222   79.586   12.456   76.240   11.431  107.752   8.5307  105.537   7.9928 2.215065 11.69006 
1 1 1  -36    6   40 o  215.662   4.9726  317.704   14.525  318.048   20.879  317.383   20.220  215.747   7.1415  215.576   6.9215 0.1709290 9.945290 
1 1 1  -36    6   41 f  258.105   5.9939  453.385   20.178  444.096   25.199  469.988   33.687  254.855   7.2963  261.356   9.5116 -6.500565 11.98775 
1 1 1  -36    6   42 o  179.897   5.9795  224.961   14.186  236.205   18.360  208.304   22.347  185.837   7.2906  173.957   9.4797 11.88046 11.95899 
1 1 1  -36    6   43 o  160.172   6.4719  179.564   13.019  168.070   22.845  185.091   15.843  155.828   10.819  164.516   7.1065 -8.688385 12.94388 
1 1 1  -36    6   44 o  235.681   6.2509  385.832   18.585  371.101   32.591  392.930   22.625  231.657   10.382  239.706   6.9651 -8.049133 12.50170 
1 1 1  -36    6   45 o  134.882   6.9662  128.871   11.801  116.592   20.492  134.964   14.435  129.432   11.683  140.333   7.5908 -10.90086 13.93247 
1 1 1  -36    6   46 o  185.088   7.4759  237.259   18.738  231.322   25.925  243.753   27.115  182.706   10.471  187.470   10.673 -4.763840 14.95179 
1 1 1  -36    6   47 o  329.605   5.5388  745.945   24.736  732.759   34.997  759.110   34.969  326.654   7.9060  332.557   7.7595 -5.902924 11.07762 
1 1 1  -36    6   48 o  123.951   5.6792  105.753   9.5101  103.745   13.929  107.506   13.016  122.770   8.3723  125.132   7.6759 -2.361366 11.35847 
1 1 1  -36    6   49 o   75.761   9.4588   37.620   9.0646   30.742   10.910   52.949   16.288   65.076   12.827   86.446   13.904 -21.36916 18.91764 
1 1 1  -36    6   50 o   78.024   11.114   44.474   11.534   35.574   15.945   54.240   16.703   68.708   17.173   87.340   14.112 -18.63288 22.22759 
1 1 1  -36    6   51 o  127.522   6.9963  116.147   11.001  104.951   19.703  121.219   13.261  122.226   11.896  132.820   7.3677 -10.59397 13.99260 
1 1 1  -36    6   52 o  130.559   5.5318  118.020   9.7261  110.702   14.288  124.338   13.277  126.626   8.3266  134.492   7.2849 -7.866013 11.06352 
1 1 1  -36    6   53 o   82.676   6.8949   48.282   7.5983   42.036   11.302   53.434   10.264   77.483   10.764   87.870   8.6197 -10.38625 13.78977 
1 1 1  -36    6   54 o  133.206   5.4208  121.910   9.7588  128.450   14.459  116.439   13.225  136.427   7.8210  129.985   7.5080 6.442078 10.84153 
1 1 1  -36    6   55 o  146.587   5.2691  148.613   10.431  141.182   15.141  155.326   14.390  142.961   7.8153  150.212   7.0693 -7.251495 10.53823 
1 1 1  -36    6   56 o  129.626   5.5178  116.311   9.6607  114.525   14.185  117.856   13.194  128.581   8.1406  130.670   7.4509 -2.088654 11.03563 
1 1 1  -36    6   57 o   46.856   9.6648   16.287   6.5066   15.466   9.7470   16.947   8.7387   45.938   14.210   47.775   13.104 -1.837376 19.32952 
1 1 1  -36    6   58 o  168.169   5.1679  195.803   11.749  189.388   17.036  201.622   16.225  165.403   7.6006  170.935   7.0043 -5.532043 10.33585 
1 1 1  -36    6   59 o  111.430   7.3517   91.716   10.062   77.215   17.689   98.653   12.235  103.541   12.607  119.319   7.5668 -15.77784 14.70345 
1 1 1  -36    6   60 f  168.912   5.1903  197.777   11.855  196.063   17.294  199.296   16.283  168.091   7.5923  169.733   7.0792 -1.641449 10.38068 
1 1 1  -36    6   61 o  136.083   5.4480  128.990   10.016  125.510   14.626  132.062   13.744  134.196   8.0429  137.970   7.3510 -3.774094 10.89609 
1 1 1  -36    6   62 o  129.385   6.2973  117.938   10.817  119.261   14.025  115.994   16.994  130.769   7.9144  128.000   9.7972 2.769012 12.59453 
1 1 1  -36    6   63 o   85.828   7.4736   51.561   8.5823   45.945   11.110   59.874   13.515   80.304   10.209   91.352   10.918 -11.04780 14.94718 
1 1 1  -36    6   64 o  135.374   7.9587  128.276   14.600  128.276   14.600   0.0000   0.0000  135.374   7.9587  ?   ?       ?      ? 
1 1 1  -36    6   65 o   79.316   10.128   45.029   10.886   45.029   10.886   0.0000   0.0000   79.316   10.128  ?   ?       ?      ? 
1 1 1  -36    6   66 o   93.130   9.4087   67.158   11.097   54.041   16.873   77.157   14.731   82.793   15.611  103.467   10.506 -20.67458 18.81735 
1 1 1  -36    6   67 o   52.181   11.826   20.986   9.3213   27.470   14.997   16.905   11.899   57.565   17.596   46.798   15.804 10.76629 23.65172 
1 1 1  -36    6   68 o  107.753   6.8430   82.244   9.7977   78.065   12.550   88.767   15.678  104.791   8.8378  110.714   10.450 -5.923607 13.68599 
1 1 1  -36    6   69 o   33.065   10.091   1.8155   8.2467  -4.6200   14.032   5.2114   10.193   32.023   14.604   34.107   13.929 -2.084221 20.18175 
1 1 1  -36    6   70 o   38.200   10.106   7.2753   8.3903  -9.5203   13.514   17.811   10.703   29.065   13.624   47.334   14.930 -18.26896 20.21218 
1 1 1  -36    6   71 o   45.505   11.465   16.204   9.0966   10.670   14.807   19.558   11.529   41.869   16.902   49.141   15.495 -7.271919 22.93009 
1 1 1  -36    6   72 o   37.335   14.766   8.3115   11.069   0.0000   0.0000   8.3115   11.069  ?   ?    37.335   14.766      ?      ? 
1 1 1  -36    6   73 o   88.496   11.910   58.745   14.283   0.0000   0.0000   58.745   14.283  ?   ?    88.496   11.910      ?      ? 
1 1 1  -36    6   74 o   77.964   12.929   46.559   13.660   0.0000   0.0000   46.559   13.660  ?   ?    77.964   12.929      ?      ? 
1 1 1  -36    6   75 o   50.643   15.987   21.580   12.269   0.0000   0.0000   21.580   12.269  ?   ?    50.643   15.987      ?      ? 
1 1 1  -36    6   76 o   47.600   16.144   18.944   12.417   0.0000   0.0000   18.944   12.417  ?   ?    47.600   16.144      ?      ? 
1 1 1  -36    7    1 o  177.492   6.4091  217.455   15.157  209.887   23.460  222.878   19.858  174.595   9.9154  180.390   8.1236 -5.794724 12.81826 
1 1 1  -36    7    2 o  253.814   5.9135  443.666   18.223  436.192   34.355  446.592   21.497  251.684   10.073  255.944   6.1980 -4.259995 11.82705 
1 1 1  -36    7    3 o  211.025   5.7608  307.352   14.611  299.415   27.933  310.342   17.143  208.623   9.8802  213.428   5.9271 -4.804916 11.52169 
1 1 1  -36    7    4 o  196.405   5.8274  273.192   13.735  244.006   25.703  284.858   16.250  188.309   10.072  204.501   5.8638 -16.19209 11.65487 
1 1 1  -36    7    5 o  195.704   5.8186  267.974   13.732  249.130   25.790  275.429   16.222  190.326   9.9992  201.083   5.9532 -10.75702 11.63726 
1 1 1  -36    7    6 o  215.388   5.8411  321.864   15.291  307.465   28.567  327.646   18.103  211.476   9.9683  219.301   6.0915 -7.824951 11.68223 
1 1 1  -36    7    7 o  135.054   6.2392  130.758   9.7989  113.488   19.077  136.947   11.421  128.304   10.972  141.805   5.9431 -13.50104 12.47839 
1 1 1  -36    7    8 o  142.935   6.5338  138.709   12.355  146.520   19.977  133.870   15.723  145.994   10.097  139.876   8.2948 6.118301 13.06762 
1 1 1  -36    7    9 o  199.989   5.2368  272.169   13.709  269.566   17.246  276.638   22.595  198.888   6.3989  201.089   8.2917 -2.201126 10.47365 
1 1 1  -36    7   10 o  273.578   5.6726  506.937   20.182  495.255   25.088  528.361   33.974  269.476   6.8700  277.680   9.0287 -8.204346 11.34520 
1 1 1  -36    7   11 o  209.819   5.4914  300.770   15.333  300.806   19.893  300.717   24.065  209.998   6.9904  209.640   8.4710 0.3581696 10.98284 
1 1 1  -36    7   12 o   99.891   5.3510   66.619   6.7840   63.966   8.1838   72.447   12.129   96.907   6.2318  102.875   8.7004 -5.968590 10.70204 
1 1 1  -36    7   13 o  114.997   5.0943   84.616   7.4226   75.585   8.8400  106.201   13.667  105.347   6.1922  124.646   8.0911 -19.29919 10.18867 
1 1 1  -36    7   14 o  101.313   5.3313   65.030   6.8942   56.231   8.2456   85.472   12.568   90.826   6.6993  111.800   8.2952 -20.97402 10.66263 
1 1 1  -36    7   15 o  138.056   5.1805  131.622   8.9034  134.121   10.718  126.057   15.992  140.396   5.6335  135.715   8.6956 4.680664 10.36097 
1 1 1  -36    7   16 o  255.019   5.3073  443.442   16.541  442.773   19.549  445.129   31.034  255.090   5.6551  254.948   8.9827 0.1425171 10.61452 
1 1 1  -36    7   17 o  303.164   5.9528  625.667   24.456  625.667   24.456   0.0000   0.0000  303.164   5.9528  ?   ?       ?      ? 
1 1 1  -36    7   18 o  255.884   5.6913  445.552   19.735  445.552   19.735   0.0000   0.0000  255.884   5.6913  ?   ?       ?      ? 
1 1 1  -36    7   19 o  306.086   5.7542  648.075   21.412  658.233   25.336  622.686   40.057  310.939   6.0129  301.234   9.8127 9.704926 11.50844 
1 1 1  -36    7   20 o  255.093   5.3966  446.694   16.868  449.956   20.015  438.701   31.336  257.134   5.7439  253.053   9.1380 4.080185 10.79329 
1 1 1  -36    7   21 o  137.767   5.2600  129.219   9.1229  128.658   11.015  130.445   16.279  137.478   5.9126  138.056   8.7013 -0.5786896 10.52004 
1 1 1  -36    7   22 o  106.074   5.5863   74.414   7.6043   69.646   9.2314   84.480   13.412  101.077   6.7396  111.071   8.9109 -9.993782 11.17252 
1 1 1  -36    7   23 o  115.004   5.4315   85.235   7.9791   76.214   9.5798  105.670   14.418  105.739   6.6856  124.269   8.5619 -18.53000 10.86291 
1 1 1  -36    7   24 o  108.994   5.6831   80.359   7.8941   78.767   9.6028   83.676   13.864  107.502   6.5917  110.486   9.2597 -2.983849 11.36628 
1 1 1  -36    7   25 o  219.690   5.1949  319.713   14.094  306.631   16.625  353.137   26.574  212.245   5.7802  227.135   8.6336 -14.88948 10.38986 
1 1 1  -36    7   26 o  281.188   5.5613  531.751   19.087  520.882   22.438  560.207   36.305  276.576   5.9866  285.801   9.3740 -9.224579 11.12252 
1 1 1  -36    7   27 o  203.809   5.6788  282.799   15.403  277.755   19.904  290.331   24.321  201.716   7.2813  205.902   8.7164 -4.186172 11.35752 
1 1 1  -36    7   28 o  136.333   5.8889  125.131   10.784  111.741   14.159  143.633   16.643  127.811   8.1748  144.855   8.4787 -17.04395 11.77776 
1 1 1  -36    7   29 o  149.355   5.2769  147.141   9.9607  138.607   11.927  166.811   18.109  142.633   6.1707  156.077   8.5618 -13.44377 10.55377 
1 1 1  -36    7   30 o  225.602   5.3167  338.208   14.783  325.537   17.426  370.735   27.919  218.634   5.8816  232.570   8.8586 -13.93625 10.63334 
1 1 1  -36    7   31 o  195.925   5.3268  261.726   12.966  260.841   15.496  263.793   23.678  195.704   5.8431  196.146   8.9082 -0.4418640 10.65353 
1 1 1  -36    7   32 o  206.785   4.8001  291.121   13.430  303.329   19.665  280.449   18.386  210.818   6.8835  202.751   6.6918 8.066666 9.600139 
1 1 1  -36    7   33 o  227.312   6.1072  346.575   17.597  333.338   21.214  375.775   31.508  220.934   7.0855  233.691   9.9493 -12.75693 12.21445 
1 1 1  -36    7   34 o  262.404   6.2606  469.625   20.891  464.381   25.418  480.543   36.676  260.714   7.1945  264.094   10.248 -3.380554 12.52125 
1 1 1  -36    7   35 o  188.886   4.9147  244.257   12.549  229.455   17.988  258.290   17.514  183.233   7.2443  194.538   6.6437 -11.30531 9.829434 
1 1 1  -36    7   36 o  263.311   5.9899  478.954   20.615  489.300   26.098  461.788   33.619  267.558   7.1980  259.063   9.5762 8.495056 11.97974 
1 1 1  -36    7   37 o  138.809   6.0264  133.141   11.081  136.987   14.363  127.486   17.417  141.500   7.4907  136.119   9.4424 5.381271 12.05277 
1 1 1  -36    7   38 o  343.482   6.6065  814.965   29.574  823.512   37.184  800.253   48.787  346.688   7.9148  340.276   10.580 6.411285 13.21292 
1 1 1  -36    7   39 o  345.098   5.5255  816.027   25.831  815.978   37.034  816.073   36.047  345.036   7.9204  345.161   7.7066 -0.1252136 11.05098 
1 1 1  -36    7   40 o  131.280   5.4815  117.309   9.7021  125.866   14.641  110.610   12.955  135.476   7.9751  127.085   7.5223 8.391273 10.96297 
1 1 1  -36    7   41 o  328.344   5.4684  738.714   24.313  748.519   35.168  729.737   33.651  330.369   7.8554  326.318   7.6098 4.050568 10.93687 
1 1 1  -36    7   42 o  333.546   5.4855  763.195   24.782  759.433   35.571  766.743   34.546  332.678   7.8902  334.415   7.6230 -1.737061 10.97110 
1 1 1  -36    7   43 o  193.989   5.0867  257.495   13.333  261.376   19.680  254.203   18.127  195.266   7.4374  192.712   6.9413 2.553757 10.17334 
1 1 1  -36    7   44 o  137.151   6.8004  135.707   11.428  115.954   20.362  144.790   13.808  128.904   11.656  145.398   7.0078 -16.49419 13.60082 
1 1 1  -36    7   45 o  182.904   5.0625  230.042   12.505  217.524   18.115  241.437   17.284  178.030   7.5087  187.778   6.7922 -9.748322 10.12496 
1 1 1  -36    7   46 o  133.478   5.4938  122.618   9.8512  121.190   14.893  123.728   13.136  132.657   8.2845  134.300   7.2176 -1.642914 10.98754 
1 1 1  -36    7   47 o   92.217   8.5516   63.966   9.1041   52.165   16.625   69.021   10.881   84.303   15.107  100.130   8.0188 -15.82707 17.10314 
1 1 1  -36    7   48 o   54.628   10.638   22.944   7.7558   17.369   14.965   24.991   9.0689   50.542   17.700   58.715   11.807 -8.173248 21.27667 
1 1 1  -36    7   49 o   24.976   8.3808 -11.7862   7.2335 -13.3818   9.0665  -8.9916   11.998   21.580   10.402   28.372   13.143 -6.792421 16.76169 
1 1 1  -36    7   50 o  123.741   6.9392  100.865   11.114   88.637   13.523  126.316   19.508  113.127   8.8209  134.356   10.715 -21.22949 13.87844 
1 1 1  -36    7   51 o  100.946   7.4609   68.910   9.4700   77.984   17.339   65.052   11.305  104.975   12.189   96.916   8.6079 8.059082 14.92188 
1 1 1  -36    7   52 f  122.229   8.2884  105.400   13.567   85.428   18.670  127.747   19.749  109.599   12.570  134.858   10.806 -25.25922 16.57670 
1 1 1  -36    7   53 o  183.972   10.488  237.643   26.148   0.0000   0.0000  237.643   26.148  ?   ?   183.972   10.488      ?      ? 
1 1 1  -36    7   54 o  235.958   5.1666  384.905   16.489  364.265   23.572  404.683   23.074  229.591   7.5764  242.324   7.0267 -12.73317 10.33323 
1 1 1  -36    7   55 o  150.690   5.3280  157.578   10.824  150.806   15.927  163.390   14.754  147.491   7.9685  153.890   7.0749 -6.399109 10.65605 
1 1 1  -36    7   56 o  185.726   5.1117  238.468   12.842  237.334   18.701  239.479   17.667  185.194   7.4516  186.258   6.9993 -1.063751 10.22335 
1 1 1  -36    7   57 o  127.086   5.5554  111.673   9.5385  118.294   14.176  106.195   12.894  130.449   8.0194  123.723   7.6902 6.725105 11.11084 
1 1 1  -36    7   58 o  116.592   5.6724   93.947   8.9298  103.756   13.312   85.921   12.041  122.077   8.0468  111.108   7.9971 10.96814 11.34476 
1 1 1  -36    7   59 f  132.266   7.4119  125.212   13.141  117.255   19.668  131.629   17.661  127.911   11.347  136.622   9.5393 -8.710625 14.82384 
1 1 1  -36    7   60 o  107.522   6.7255   78.592   9.6120   64.707   12.271  100.638   15.462   95.721   9.4601  119.322   9.5624 -23.60125 13.45108 
1 1 1  -36    7   61 o  107.997   8.0556   83.122   11.626   90.208   18.276   78.307   15.067  111.391   12.107  104.602   10.629 6.789101 16.11115 
1 1 1  -36    7   62 o  149.258   7.2644  156.903   14.529  175.389   22.689  144.054   18.916  156.253   10.715  142.263   9.8117 13.99054 14.52881 
1 1 1  -36    7   63 o   28.102   8.7540  -1.4057   6.5644   1.3493   8.9893  -4.5532   9.6084   29.710   12.669   26.495   12.084 3.214470 17.50794 
1 1 1  -36    7   64 o   74.837   10.569   40.394   10.719   40.394   10.719   0.0000   0.0000   74.837   10.569  ?   ?       ?      ? 
1 1 1  -36    7   65 f   97.179   8.8210   66.989   11.616   66.989   11.616   0.0000   0.0000   97.179   8.8210  ?   ?       ?      ? 
1 1 1  -36    7   66 o   28.884   9.1879  -3.6870   7.7691 -12.0135   12.438   1.6399   9.9485   26.766   12.704   31.001   13.277 -4.235134 18.37580 
1 1 1  -36    7   67 f  109.406   8.2165   88.433   12.029   86.796   18.363   89.664   15.921  107.759   12.575  111.053   10.579 -3.293251 16.43299 
1 1 1  -36    7   68 o   89.974   9.1510   59.529   10.973   69.896   17.571   52.902   14.049   95.803   13.534   84.145   12.321 11.65806 18.30192 
1 1 1  -36    7   69 f   64.745   11.255   36.020   9.9464   26.486   15.713   42.394   12.848   55.606   18.144   73.884   13.322 -18.27795 22.50982 
1 1 1  -36    7   70 o  123.153   7.9755  113.009   13.143  105.564   19.725  118.953   17.625  118.514   12.282  127.793   10.178 -9.278717 15.95094 
1 1 1  -36    7   71 o   76.450   10.617   49.339   10.655   28.781   15.526   67.641   14.650   57.461   17.961   95.438   11.327 -37.97685 21.23438 
1 1 1  -36    7   72 o   89.338   12.270   60.371   14.855   0.0000   0.0000   60.371   14.855  ?   ?    89.338   12.270      ?      ? 
1 1 1  -36    7   73 o   58.294   15.610   28.479   12.577   0.0000   0.0000   28.479   12.577  ?   ?    58.294   15.610      ?      ? 
1 1 1  -36    7   74 o   28.712   13.064  -3.3421   11.147   0.0000   0.0000  -3.3421   11.147  ?   ?    28.712   13.064      ?      ? 
1 1 1  -36    7   75 o   32.345   14.209   1.2540   12.004   0.0000   0.0000   1.2540   12.004  ?   ?    32.345   14.209      ?      ? 
1 1 1  -36    7   76 o   56.780   16.736   28.505   13.753   0.0000   0.0000   28.505   13.753  ?   ?    56.780   16.736      ?      ? 
1 1 1  -36    8    1 o  131.993   4.5596  119.432   7.8115  117.456   13.021  120.543   9.7636  130.982   7.3358  133.004   5.4170 -2.022171 9.119126 
1 1 1  -36    8    2 o  139.542   4.5019  131.916   8.2625  137.177   13.529  128.786   10.435  141.624   7.0491  137.460   5.6017 4.164093 9.003838 
1 1 1  -36    8    3 o  183.349   4.5286  232.423   11.008  213.806   17.054  245.722   14.414  176.812   7.1174  189.886   5.6014 -13.07343 9.057204 
1 1 1  -36    8    4 o  185.789   5.4919  238.470   13.572  248.303   17.800  224.816   20.975  190.616   6.8909  180.962   8.5533 9.654831 10.98374 
1 1 1  -36    8    5 o   71.570   6.0986   36.282   5.4738   32.047   9.4722   38.404   6.7071   68.142   10.258   74.997   6.5994 -6.855675 12.19729 
1 1 1  -36    8    6 o  150.114   4.5835  155.692   9.1228  143.665   14.144  164.258   11.938  144.962   7.2003  155.266   5.6736 -10.30478 9.166992 
1 1 1  -36    8    7 o  222.905   4.6641  341.072   13.983  320.485   20.702  358.344   18.962  216.566   7.0540  229.243   6.1039 -12.67726 9.328253 
1 1 1  -36    8    8 o  219.759   4.9147  320.075   13.261  307.463   15.585  353.157   25.242  212.497   5.4123  227.020   8.2051 -14.52295 9.829356 
1 1 1  -36    8    9 o  210.416   4.9853  305.537   12.946  310.085   15.469  294.904   23.651  213.421   5.3485  207.410   8.4146 6.010544 9.970543 
1 1 1  -36    8   10 o  101.785   5.2254   69.929   6.7476   68.328   8.1674   73.372   11.976  100.124   6.0195  103.445   8.5431 -3.320694 10.45077 
1 1 1  -36    8   11 o  271.755   5.3205  500.888   17.657  495.605   20.814  514.452   33.349  269.746   5.6941  273.764   8.9893 -4.017548 10.64098 
1 1 1  -36    8   12 o   99.303   6.0765   67.325   8.1566   63.760   11.067   71.566   12.068   96.453   8.4670  102.152   8.7180 -5.699013 12.15295 
1 1 1  -36    8   13 o  182.526   5.3907  226.442   13.133  220.137   17.046  235.650   20.601  179.549   7.0059  185.504   8.1949 -5.954544 10.78141 
1 1 1  -36    8   14 o  104.842   5.3401   73.744   7.1117   71.241   8.5968   79.170   12.658  102.229   6.2056  107.456   8.6925 -5.227058 10.68028 
1 1 1  -36    8   15 o   60.676   7.2624   23.976   5.6279   19.993   6.8659   32.130   9.8249   53.091   9.9076   68.260   10.621 -15.16928 14.52484 
1 1 1  -36    8   16 o  113.009   5.2275   82.810   7.5221   75.145   9.0182  100.336   13.637  104.982   6.3390  121.036   8.3141 -16.05460 10.45502 
1 1 1  -36    8   17 o  167.527   5.0112  187.922   10.445  182.474   12.421  201.080   19.302  163.706   5.5989  171.348   8.3127 -7.642090 10.02244 
1 1 1  -36    8   18 o  114.038   6.1893   88.642   9.5647   88.642   9.5647   0.0000   0.0000  114.038   6.1893  ?   ?       ?      ? 
1 1 1  -36    8   19 o  157.637   5.6391  169.207   12.046  169.207   12.046   0.0000   0.0000  157.637   5.6391  ?   ?       ?      ? 
1 1 1  -36    8   20 o  118.022   5.3482   93.419   7.9910   90.312   9.6316  100.281   14.314  115.108   6.1746  120.937   8.7343 -5.828857 10.69641 
1 1 1  -36    8   21 o   47.031   8.9195   14.698   5.7784   10.371   7.2998   21.958   9.4564   38.915   12.336   55.147   12.886 -16.23203 17.83892 
1 1 1  -36    8   22 f  101.161   5.6083   67.491   7.3797   61.618   9.0699   78.993   12.694   94.991   7.0459  107.331   8.7275 -12.33934 11.21666 
1 1 1  -36    8   23 o  182.566   5.1583  229.666   11.770  232.835   14.194  222.690   21.059  184.903   5.6646  180.228   8.6224 4.674576 10.31665 
1 1 1  -36    8   24 o  104.116   5.7695   74.557   7.6652   75.218   9.4036   73.249   13.233  104.995   6.6091  103.237   9.4586 1.758377 11.53892 
1 1 1  -36    8   25 o  263.975   5.4550  476.420   17.658  476.055   20.924  477.324   32.918  264.336   5.8411  263.613   9.2147 0.7226868 10.91009 
1 1 1  -36    8   26 o   96.584   5.9654   62.692   7.4095   60.124   9.0563   67.890   12.886   93.810   7.1239   99.357   9.5706 -5.546272 11.93088 
1 1 1  -36    8   27 o  219.046   5.2093  318.977   14.116  306.569   16.680  350.290   26.498  212.119   5.8026  225.974   8.6532 -13.85513 10.41863 
1 1 1  -36    8   28 o  218.535   5.7277  323.606   16.606  310.536   21.223  344.245   26.669  213.117   7.3485  223.953   8.7877 -10.83624 11.45531 
1 1 1  -36    8   29 o  213.663   5.8220  314.810   16.574  324.213   21.744  301.771   25.606  217.738   7.3691  209.589   9.0155 8.148880 11.64406 
1 1 1  -36    8   30 o  148.167   5.6836  148.944   11.148  143.788   14.204  157.215   17.990  145.018   7.2277  151.316   8.7734 -6.297989 11.36715 
1 1 1  -36    8   31 o   70.281   8.2482   34.614   7.5775   33.874   9.9116   35.655   11.755   70.033   10.444   70.529   12.769 -0.4965668 16.49631 
1 1 1  -36    8   32 o  197.063   5.6797  267.655   14.723  272.539   18.796  259.900   23.684  199.689   6.9458  194.437   8.9885 5.251373 11.35940 
1 1 1  -36    8   33 o  188.689   5.7512  244.855   14.386  247.514   18.576  240.870   22.738  190.218   7.2062  187.161   8.9651 3.056610 11.50233 
1 1 1  -36    8   34 f  153.858   6.2448  161.578   13.020  161.578   13.020   0.0000   0.0000  153.858   6.2448  ?   ?       ?      ? 
1 1 1  -36    8   35 o  144.777   5.1575  142.885   10.093  151.812   14.942  135.395   13.687  148.895   7.4053  140.658   7.1805 8.236923 10.31495 
1 1 1  -36    8   36 o  243.485   5.9753  414.452   19.140  441.568   24.798  374.489   30.104  253.974   7.2051  232.996   9.5344 20.97839 11.95069 
1 1 1  -36    8   37 o  224.605   4.9956  344.517   15.167  355.969   22.393  334.812   20.615  227.985   7.2482  221.224   6.8766 6.761230 9.991166 
1 1 1  -36    8   38 o  354.225   5.5906  861.552   26.821  855.642   38.506  867.121   37.380  352.960   8.0504  355.490   7.7595 -2.529541 11.18114 
1 1 1  -36    8   39 o  100.957   6.0686   69.795   8.2309   72.918   12.601   67.471   10.870  102.829   9.0431   99.086   8.0954 3.743225 12.13725 
1 1 1  -36    8   40 o   66.830   8.4414   33.562   7.1402   23.452   10.930   41.088   9.4307   56.489   14.273   77.172   9.0179 -20.68289 16.88289 
1 1 1  -36    8   41 o  106.583   5.9021   77.345   8.4600   85.210   12.973   71.526   11.160  111.190   8.6096  101.975   8.0755 9.215286 11.80419 
1 1 1  -36    8   42 o  122.460   6.6448   97.547   10.113  119.675   19.230   89.086   11.891  131.066   10.827  113.854   7.7069 17.21209 13.28961 
1 1 1  -36    8   43 o   57.840   9.5418   30.226   7.8393   3.5749   15.554   39.301   9.0763   40.259   16.892   75.422   8.8804 -35.16309 19.08366 
1 1 1  -36    8   44 o   88.265   8.3439   53.738   9.9801   0.0000   0.0000   53.738   9.9801  ?   ?    88.265   8.3439      ?      ? 
1 1 1  -36    8   45 o  133.695   5.3206  123.904   9.5511  113.951   14.128  132.281   12.962  128.550   8.1101  138.840   6.8891 -10.29053 10.64117 
1 1 1  -36    8   46 o  107.968   5.7551   80.365   8.3495   81.122   12.676   79.785   11.097  108.292   8.6379  107.644   7.6073 0.6486511 11.51015 
1 1 1  -36    8   47 o  156.452   5.1229  166.848   10.801  183.139   16.368  154.283   14.374  163.102   7.4054  149.803   7.0808 13.29857 10.24586 
1 1 1  -36    8   48 o   59.869   8.6193   26.250   6.6881   25.768   10.266   26.606   8.8159   59.069   13.161   60.669   11.133 -1.599850 17.23857 
1 1 1  -36    8   49 o  190.741   6.2695  252.682   15.463  252.672   19.210  252.701   26.060  191.441   7.4047  190.040   10.119 1.400970 12.53904 
1 1 1  -36    8   50 o   97.898   7.5082   65.927   9.6353   61.911   12.028   73.121   16.098   94.204   9.4219  101.592   11.693 -7.387703 15.01648 
1 1 1  -36    8   51 o   86.560   6.5686   50.903   7.5994   63.608   11.872   42.085   9.8911   95.498   9.1741   77.623   9.4032 17.87516 13.13713 
1 1 1  -36    8   52 o  190.897   5.0701  251.578   13.068  251.313   19.312  251.802   17.748  190.651   7.4750  191.143   6.8517 -0.4915314 10.14012 
1 1 1  -36    8   53 o   47.722   9.7613   16.548   6.6526   20.620   10.236   13.570   8.7533   52.283   14.117   43.161   13.485 9.122059 19.52253 
1 1 1  -36    8   54 o  163.794   5.1494  185.548   11.389  186.918   16.854  184.396   15.451  164.211   7.5740  163.377   6.9786 0.8332062 10.29889 
1 1 1  -36    8   55 o   52.165   9.6284   20.481   6.8522   21.825   10.245   19.393   9.2175   53.608   13.963   50.722   13.261 2.886093 19.25683 
1 1 1  -36    8   56 f   56.248   11.358   21.745   9.1293   37.207   15.411   13.385   11.332   68.765   16.704   43.730   15.396 25.03496 22.71694 
1 1 1  -36    8   57 o   67.772   11.201   35.294   9.8731   38.532   16.082   33.336   12.507   69.564   17.165   65.980   14.394 3.584442 22.40141 
1 1 1  -36    8   58 o   28.439   9.2037  -6.2275   7.8120  -2.1497   12.310  -8.9774   10.108   31.873   14.177   25.005   11.741 6.867199 18.40741 
1 1 1  -36    8   59 o   56.170   16.503   25.102   13.392   25.102   13.392   0.0000   0.0000   56.170   16.503  ?   ?       ?      ? 
1 1 1  -36    8   60 o   62.030   12.456   29.038   10.107   29.038   10.107   0.0000   0.0000   62.030   12.456  ?   ?       ?      ? 
1 1 1  -36    8   61 o   63.787   9.7119   31.352   7.9994   31.292   10.272   31.446   12.751   64.471   12.205   63.102   15.111 1.369316 19.42388 
1 1 1  -36    8   62 o  100.529   7.2540   75.196   9.4020   83.705   12.101   62.234   14.935  109.020   8.1906   92.039   11.975 16.98080 14.50791 
1 1 1  -36    8   63 o   80.350   8.2735   49.030   8.4197   53.775   10.931   42.106   13.204   86.824   9.2900   73.877   13.693 12.94734 16.54692 
1 1 1  -36    8   64 o   66.328   16.270   35.941   14.513   35.941   14.513   0.0000   0.0000   66.328   16.270  ?   ?       ?      ? 
1 1 1  -36    8   65 o  120.053   7.7397  105.833   12.482  100.804   18.598  109.954   16.837  116.775   11.753  123.331   10.074 -6.556801 15.47950 
1 1 1  -36    8   66 o   39.459   10.806   9.9156   8.3502   6.0457   12.873   12.727   10.972   37.179   15.465   41.739   15.098 -4.560169 21.61251 
1 1 1  -36    8   67 o   68.817   10.452   39.870   9.7138   24.356   14.634   52.092   12.988   53.724   17.509   83.910   11.422 -30.18608 20.90482 
1 1 1  -36    8   68 o   46.846   11.461   17.654   8.9739   13.914   13.866   20.349   11.771   43.822   16.750   49.869   15.647 -6.046879 22.92126 
1 1 1  -36    8   69 o   91.117   8.9405   62.407   10.982   69.235   16.594   57.085   14.649   95.356   12.841   86.878   12.443 8.477737 17.88092 
1 1 1  -36    8   70 o   85.496   10.168   59.114   11.162   47.421   16.502   68.975   15.155   75.017   16.666   95.976   11.652 -20.95938 20.33561 
1 1 1  -36    8   71 o   65.150   15.660   35.421   13.654   0.0000   0.0000   35.421   13.654  ?   ?    65.150   15.660      ?      ? 
1 1 1  -36    8   72 o   73.791   14.498   44.164   13.980   0.0000   0.0000   44.164   13.980  ?   ?    73.791   14.498      ?      ? 
1 1 1  -36    8   73 o  143.838   10.584  153.761   20.630   0.0000   0.0000  153.761   20.630  ?   ?   143.838   10.584      ?      ? 
1 1 1  -36    8   74 o   50.707   16.916   22.579   13.631   0.0000   0.0000   22.579   13.631  ?   ?    50.707   16.916      ?      ? 
1 1 1  -36    8   75 o   32.578   14.345   1.6194   12.295   0.0000   0.0000   1.6194   12.295  ?   ?    32.578   14.345      ?      ? 
1 1 1  -36    9    1 o  101.906   4.7481   71.623   6.0065   69.786   10.887   72.427   7.2018  100.743   7.9744  103.070   5.1561 -2.327492 9.496162 
1 1 1  -36    9    2 o  149.484   5.1116  153.415   10.337  157.813   14.342  148.659   14.912  151.778   6.9731  147.190   7.4760 4.587875 10.22328 
1 1 1  -36    9    3 o  142.786   4.5153  142.268   8.3429  129.057   13.680  150.093   10.527  137.189   7.3582  148.383   5.2354 -11.19478 9.030635 
1 1 1  -36    9    4 o   62.864   6.9860   31.215   4.8889   20.968   9.0429   35.447   5.8113   53.676   12.641   72.052   5.9518 -18.37635 13.97194 
1 1 1  -36    9    5 o  112.735   4.8774   88.157   7.0745   83.121   11.877   90.925   8.8073  110.018   7.9666  115.453   5.6293 -5.435265 9.754822 
1 1 1  -36    9    6 o   55.735   8.8970   22.392   6.5539   19.954   8.9011   25.279   9.6857   52.384   12.676   59.085   12.488 -6.700306 17.79390 
1 1 1  -36    9    7 o   86.930   5.0495   50.412   5.7349   47.044   7.1126   56.671   9.6956   82.984   6.3249   90.877   7.8730 -7.892563 10.09890 
1 1 1  -36    9    8 o  196.145   4.7068  250.919   11.526  233.620   13.634  294.249   21.578  185.134   5.4345  207.157   7.6865 -22.02379 9.413578 
1 1 1  -36    9    9 o  169.669   4.8212  196.499   10.279  195.889   12.396  197.840   18.388  169.540   5.3954  169.797   7.9915 -0.2575989 9.642310 
1 1 1  -36    9   10 o  318.271   5.6983  698.236   22.109  702.378   26.146  687.843   41.418  320.825   6.0138  315.716   9.6808 5.108429 11.39663 
1 1 1  -36    9   11 o   85.224   5.7519   50.808   6.2955   53.115   7.8557   46.668   10.525   88.168   6.5749   82.281   9.4396 5.887100 11.50376 
1 1 1  -36    9   12 o  131.242   5.0091  119.583   8.3348  123.021   10.217  112.744   14.411  134.338   5.6123  128.146   8.2987 6.191483 10.01826 
1 1 1  -36    9   13 o  134.600   5.0956  125.265   8.6651  127.663   10.561  120.323   15.159  136.841   5.6949  132.359   8.4514 4.481659 10.19112 
1 1 1  -36    9   14 o  271.190   5.7705  487.295   20.527  440.649   25.506  573.060   34.584  253.695   7.4189  288.686   8.8404 -34.99037 11.54095 
1 1 1  -36    9   15 o  224.112   5.0713  339.451   14.012  333.690   16.599  353.735   26.137  221.280   5.5356  226.945   8.4988 -5.664658 10.14260 
1 1 1  -36    9   16 o   94.237   5.9926   64.648   6.9886   71.715   8.6169   51.063   11.947  102.509   6.2031   85.965   10.255 16.54387 11.98516 
1 1 1  -36    9   17 o  129.127   5.2955  116.316   8.5861  120.194   10.451  108.264   15.060  132.768   5.8088  125.485   8.8561 7.283279 10.59110 
1 1 1  -36    9   18 o  124.111   5.4148  107.925   8.4239  112.263   10.260   98.950   14.757  128.300   5.9010  119.922   9.0806 8.378548 10.82954 
1 1 1  -36    9   19 o  125.787   6.0714  107.950   10.349  107.950   10.349   0.0000   0.0000  125.787   6.0714  ?   ?       ?      ? 
1 1 1  -36    9   20 o   97.623   6.9214   65.157   9.1566   65.157   9.1566   0.0000   0.0000   97.623   6.9214  ?   ?       ?      ? 
1 1 1  -36    9   21 o  214.962   5.5879  320.626   15.774  333.731   20.216  300.234   25.218  220.984   6.7509  208.941   8.9065 12.04272 11.17587 
1 1 1  -36    9   22 o  262.672   5.7975  475.224   19.917  480.390   25.164  466.559   32.590  265.037   7.0062  260.307   9.2389 4.729919 11.59500 
1 1 1  -36    9   23 o  129.880   5.7710  116.544   9.9728  120.284   13.052  111.298   15.458  132.570   7.2655  127.190   8.9684 5.380310 11.54210 
1 1 1  -36    9   24 o  128.352   5.7656  112.523   9.8983  109.846   12.928  116.317   15.388  126.634   7.5334  130.070   8.7302 -3.435623 11.53119 
1 1 1  -36    9   25 o   92.234   6.6096   58.451   8.2078   57.165   10.949   60.101   12.401   91.157   8.8634   93.311   9.8074 -2.153908 13.21914 
1 1 1  -36    9   26 o  312.685   5.8046  660.952   22.211  647.567   26.163  695.489   42.028  307.958   6.2693  317.412   9.7707 -9.453979 11.60910 
1 1 1  -36    9   27 f  172.164   5.2015  199.298   11.422  192.372   13.861  213.953   20.162  167.877   6.0927  176.451   8.4321 -8.573593 10.40293 
1 1 1  -36    9   28 f  193.585   5.7627  258.290   14.938  264.018   19.799  250.719   22.762  196.299   7.4428  190.871   8.8000 5.428482 11.52546 
1 1 1  -36    9   29 o   83.644   8.1040   49.792   8.6591   65.283   12.480   35.412   12.024   97.265   9.4686   70.023   13.155 27.24174 16.20802 
1 1 1  -36    9   30 o   64.324   8.7055   34.202   7.0782   46.942   9.0718   14.377   11.316   82.670   8.0977   45.978   15.413 36.69242 17.41097 
1 1 1  -36    9   31 o  126.526   5.5266  105.492   9.0824   95.582   11.132  125.223   15.708  118.164   6.9518  134.888   8.5934 -16.72387 11.05322 
1 1 1  -36    9   32 o   71.681   7.7867   36.572   7.1178   37.734   9.0732   34.711   11.478   73.970   9.0515   69.391   12.673 4.578842 15.57347 
1 1 1  -36    9   33 o  147.027   5.6374  153.864   10.478  165.316   12.993  132.566   17.720  155.545   6.1643  138.510   9.4405 17.03484 11.27477 
1 1 1  -36    9   34 f  149.224   6.2742  152.231   12.688  152.231   12.688   0.0000   0.0000  149.224   6.2742  ?   ?       ?      ? 
1 1 1  -36    9   35 o   96.303   7.6401   63.694   9.9706   63.694   9.9706   0.0000   0.0000   96.303   7.6401  ?   ?       ?      ? 
1 1 1  -36    9   36 o  147.376   5.6157  151.190   10.602  155.206   13.123  143.644   17.988  150.605   6.4301  144.146   9.2085 6.458878 11.23138 
1 1 1  -36    9   37 o  127.285   6.5271  114.091   11.046  129.635   15.007   95.716   16.317  137.225   8.0701  117.344   10.261 19.88083 13.05423 
1 1 1  -36    9   38 o  116.168   6.9257   93.237   9.8298   94.632   18.455   92.684   11.614  116.176   11.723  116.159   7.3784 0.1657867E-01 13.85133 
1 1 1  -36    9   39 o  178.404   6.2214  220.783   13.696  218.071   25.134  221.928   16.334  176.879   10.486  179.928   6.6988 -3.049835 12.44290 
1 1 1  -36    9   40 o   66.532   7.7894   30.728   6.8129   36.637   10.565   26.522   8.9136   72.410   10.767   60.654   11.259 11.75613 15.57883 
1 1 1  -36    9   41 o   59.978   8.6307   26.278   6.7116   25.626   10.278   26.762   8.8621   59.018   13.184   60.938   11.142 -1.919209 17.26140 
1 1 1  -36    9   42 o  133.925   5.2900  124.327   9.5000  116.745   14.242  130.406   12.752  130.043   8.0814  137.807   6.8283 -7.763550 10.57993 
1 1 1  -36    9   43 o  158.285   6.3845  176.072   12.477  168.384   22.664  179.416   14.946  154.967   10.792  161.603   6.8248 -6.636215 12.76900 
1 1 1  -36    9   44 o  178.963   6.2194  219.061   13.746  230.005   25.565  214.610   16.303  181.221   10.410  176.704   6.8083 4.517044 12.43877 
1 1 1  -36    9   45 o  179.803   5.0686  222.639   12.300  223.144   18.236  222.216   16.661  179.860   7.4817  179.747   6.8400 0.1127319 10.13717 
1 1 1  -36    9   46 o  224.558   5.0872  346.891   15.440  356.976   22.805  338.357   20.979  227.455   7.3988  221.661   6.9841 5.793625 10.17445 
1 1 1  -36    9   47 o  250.405   5.1351  432.493   17.392  435.419   25.425  429.920   23.843  251.067   7.4728  249.742   7.0452 1.325302 10.27025 
1 1 1  -36    9   48 o  138.059   5.3483  131.635   9.9403  133.531   14.982  130.144   13.286  138.793   7.9655  137.326   7.1393 1.467056 10.69668 
1 1 1  -36    9   49 o  118.101   7.1534  100.641   10.841  107.080   13.620   89.507   17.909  124.182   8.0936  112.021   11.797 12.16046 14.30689 
1 1 1  -36    9   50 o  151.069   6.6189  157.872   12.794  153.644   15.618  166.497   22.305  148.833   7.7437  153.305   10.737 -4.472687 13.23776 
1 1 1  -36    9   51 o  108.855   6.7141   81.279   9.7612   65.248   12.815  103.438   15.066   96.234   9.8264  121.476   9.1521 -25.24161 13.42825 
1 1 1  -36    9   52 o  135.862   6.9642  136.658   11.455  114.679   20.606  146.488   13.781  126.210   12.048  145.514   6.9887 -19.30343 13.92834 
1 1 1  -36    9   53 o  169.917   6.0213  202.982   13.494  206.533   17.318  197.494   21.530  172.470   7.4097  167.363   9.4931 5.106598 12.04251 
1 1 1  -36    9   54 o  131.421   6.3047  121.871   10.958  123.689   14.120  119.119   17.374  133.204   7.8224  129.638   9.8896 3.565964 12.60930 
1 1 1  -36    9   55 o   83.852   8.1609   52.781   8.6786   60.001   11.445   43.012   13.313   92.216   9.1582   75.489   13.510 16.72686 16.32184 
1 1 1  -36    9   56 o   70.004   8.6814   35.865   7.9710   33.873   10.436   38.654   12.349   68.508   11.241   71.499   13.233 -2.991867 17.36284 
1 1 1  -36    9   57 o   94.163   7.1198   63.099   8.9629   61.764   11.711   64.986   13.926   93.344   9.2580   94.983   10.819 -1.639648 14.23963 
1 1 1  -36    9   58 o   71.177   10.274   39.505   9.6107   35.471   14.704   42.514   12.699   66.322   16.442   76.033   12.325 -9.710579 20.54848 
1 1 1  -36    9   59 o   84.781   7.5307   50.197   8.4903   43.081   10.811   61.653   13.716   77.367   10.311   92.194   10.978 -14.82616 15.06136 
1 1 1  -36    9   60 o   60.738   9.2228   26.255   7.6352   14.857   9.7969   43.889   12.185   44.108   14.323   77.369   11.622 -33.26101 18.44552 
1 1 1  -36    9   61 o   66.193   10.812   34.044   9.4509   43.550   14.771   27.455   12.298   73.998   15.237   58.389   15.342 15.60894 21.62320 
1 1 1  -36    9   62 o   72.087   10.167   40.346   9.4858   44.743   14.726   37.228   12.401   75.045   15.005   69.129   13.722 5.916534 20.33333 
1 1 1  -36    9   63 o   78.488   15.058   49.076   15.434   49.076   15.434   0.0000   0.0000   78.488   15.058  ?   ?       ?      ? 
1 1 1  -36    9   64 o   32.414   14.374  -0.5698   12.561  -0.5698   12.561   0.0000   0.0000   32.414   14.374  ?   ?       ?      ? 
1 1 1  -36    9   65 o   52.048   16.013   22.370   12.397   0.0000   0.0000   22.370   12.397  ?   ?    52.048   16.013      ?      ? 
1 1 1  -36    9   67 o   63.336   17.861   35.070   15.993   35.070   15.993   0.0000   0.0000   63.336   17.861  ?   ?       ?      ? 
1 1 1  -36    9   68 o   64.648   11.968   35.855   10.734   42.819   15.385   29.252   14.982   71.439   16.258   57.858   17.566 13.58093 23.93539 
1 1 1  -36    9   69 o  132.710   8.1194  133.704   14.349  113.510   20.964  151.506   19.683  121.714   12.710  143.706   10.107 -21.99245 16.23887 
1 1 1  -36    9   70 o   45.905   11.754   16.728   9.3543   20.963   14.342   13.592   12.340   49.481   17.328   42.329   15.887 7.151981 23.50885 
1 1 1  -36    9   71 o   82.248   12.999   52.613   14.488   0.0000   0.0000   52.613   14.488  ?   ?    82.248   12.999      ?      ? 
1 1 1  -36    9   72 o   68.611   15.144   39.500   13.704   0.0000   0.0000   39.500   13.704  ?   ?    68.611   15.144      ?      ? 
1 1 1  -36    9   73 o   91.421   12.251   64.796   15.177   0.0000   0.0000   64.796   15.177  ?   ?    91.421   12.251      ?      ? 
1 1 1  -36    9   74 o   69.131   15.672   41.361   14.343   0.0000   0.0000   41.361   14.343  ?   ?    69.131   15.672      ?      ? 
1 1 1  -36    9   75 o   50.070   16.827   23.009   13.488   0.0000   0.0000   23.009   13.488  ?   ?    50.070   16.827      ?      ? 
1 1 1  -36   10    1 o  266.466   7.2064  488.246   26.022  488.246   26.022   0.0000   0.0000  266.466   7.2064  ?   ?       ?      ? 
1 1 1  -36   10    2 o  141.297   4.4575  139.126   8.0024  129.766   13.735  143.936   9.8462  137.350   7.3792  145.244   5.0025 -7.893555 8.915016 
1 1 1  -36   10    3 o  158.970   4.4078  172.758   9.1046  174.062   15.231  172.032   11.357  159.201   7.0598  158.739   5.2796 0.4616547 8.815606 
1 1 1  -36   10    4 o   49.290   7.5182   20.662   4.7728   8.2260   8.6379   26.128   5.7264   36.868   13.387   61.713   6.8473 -24.84523 15.03648 
1 1 1  -36   10    5 o  153.614   4.5244  163.683   9.0473  153.735   14.788  169.634   11.438  149.592   7.2948  157.637   5.3543 -8.044846 9.048853 
1 1 1  -36   10    6 o   70.924   4.9527   33.201   4.6678   26.697   5.9818   43.328   7.4641   62.371   7.0773   79.478   6.9302 -17.10711 9.905374 
1 1 1  -36   10    7 o  134.911   5.3752  124.223   9.8271  124.223   9.8271   0.0000   0.0000  134.911   5.3752  ?   ?       ?      ? 
1 1 1  -36   10    8 o  265.119   5.6152  479.983   20.174  479.983   20.174   0.0000   0.0000  265.119   5.6152  ?   ?       ?      ? 
1 1 1  -36   10    9 o  100.398   4.7833   68.102   6.3077   65.325   7.9217   72.913   10.427   97.762   5.9795  103.033   7.4677 -5.271606 9.566629 
1 1 1  -36   10   10 o  172.273   4.8516  208.952   10.528  219.787   12.919  187.536   18.163  179.492   5.3114  165.054   8.1204 14.43808 9.703190 
1 1 1  -36   10   11 o  196.167   4.8997  266.491   12.074  271.324   14.640  256.212   21.348  199.410   5.4175  192.923   8.1658 6.486984 9.799468 
1 1 1  -36   10   12 o  240.863   5.0395  388.568   15.070  375.353   17.876  421.037   28.020  234.488   5.6255  247.237   8.3631 -12.74902 10.07909 
1 1 1  -36   10   13 o  139.413   4.7374  128.031   8.5146  117.766   10.362  149.373   14.941  131.313   5.8230  147.512   7.4742 -16.19850 9.474790 
1 1 1  -36   10   14 o   77.550   6.7914   42.042   7.0516   35.407   10.113   48.321   9.8373   71.383   10.455   83.716   8.6713 -12.33324 13.58277 
1 1 1  -36   10   15 o  244.457   5.6312  408.052   18.311  396.592   23.585  425.440   29.052  240.475   7.2375  248.439   8.6291 -7.964157 11.26246 
1 1 1  -36   10   16 o  102.286   5.4818   73.261   7.1547   76.300   8.8592   67.561   12.132  105.650   6.1879   98.923   9.0504 6.727814 10.96353 
1 1 1  -36   10   17 o   58.278   13.947   24.948   10.868   24.948   10.868   0.0000   0.0000   58.278   13.947  ?   ?       ?      ? 
1 1 1  -36   10   18 o  194.783   5.1221  266.950   12.478  279.049   15.193  241.880   21.870  202.223   5.5441  187.343   8.6144 14.87929 10.24426 
1 1 1  -36   10   19 o   64.953   7.8380   32.524   6.2075   39.364   7.9075   21.541   10.020   75.703   7.7080   54.203   13.650 21.50056 15.67601 
1 1 1  -36   10   20 o   97.859   6.9285   65.608   9.1881   65.608   9.1881   0.0000   0.0000   97.859   6.9285  ?   ?       ?      ? 
1 1 1  -36   10   21 o  264.075   5.3767  472.562   17.566  463.622   20.855  494.392   32.588  260.527   5.9071  267.624   8.9857 -7.096771 10.75342 
1 1 1  -36   10   22 o   88.826   5.9338   51.492   6.9493   41.711   8.7079   68.646   11.532   77.843   8.2550   99.810   8.5261 -21.96739 11.86751 
1 1 1  -36   10   23 o  143.480   5.2329  140.992   9.6130  140.393   11.794  142.178   16.591  143.325   6.0725  143.635   8.5239 -0.3106689 10.46580 
1 1 1  -36   10   24 o  246.198   5.3872  416.479   16.453  416.691   19.667  415.984   30.034  246.979   5.8761  245.417   9.0309 1.562836 10.77431 
1 1 1  -36   10   25 o  201.370   5.2428  279.193   13.264  280.610   16.032  276.119   23.616  202.680   5.8370  200.061   8.7107 2.618835 10.48558 
1 1 1  -36   10   26 o  165.726   5.2449  190.094   11.064  193.153   13.568  184.023   19.113  168.119   5.9555  163.333   8.6353 4.786057 10.48984 
1 1 1  -36   10   27 o  106.114   5.9152   79.150   8.0910   83.121   10.155   72.245   13.390  110.136   6.8039  102.093   9.6782 8.042435 11.83046 
1 1 1  -36   10   28 o  279.068   6.0920  537.544   22.545  538.051   29.065  536.778   35.723  279.759   7.6665  278.376   9.4696 1.383392 12.18395 
1 1 1  -36   10   29 o  130.119   7.5091  115.239   12.699  127.692   21.659  108.716   15.676  134.909   11.847  125.328   9.2300 9.581375 15.01813 
1 1 1  -36   10   30 o   60.851   9.1927   27.045   7.5176   33.983   10.552   19.894   10.713   69.712   11.170   51.990   14.603 17.72160 18.38532 
1 1 1  -36   10   31 o  155.669   5.7825  167.490   12.043  169.865   15.889  164.283   18.462  157.194   7.4589  154.143   8.8383 3.050369 11.56504 
1 1 1  -36   10   32 o   56.187   9.6097   23.153   7.3388   17.211   10.147   29.671   10.627   48.582   14.390   63.791   12.740 -15.20929 19.21940 
1 1 1  -36   10   33 o  153.186   5.4514  160.309   10.625  157.921   12.926  165.287   18.661  151.851   6.2813  154.522   8.9115 -2.670212 10.90274 
1 1 1  -36   10   34 o  134.586   6.5165  124.186   11.885  124.186   11.885   0.0000   0.0000  134.586   6.5165  ?   ?       ?      ? 
1 1 1  -36   10   35 o  277.473   6.1540  527.321   23.140  527.321   23.140   0.0000   0.0000  277.473   6.1540  ?   ?       ?      ? 
1 1 1  -36   10   36 o  131.243   5.6613  118.496   9.5038  117.664   11.644  120.155   16.447  130.954   6.5618  131.533   9.2274 -0.5789490 11.32264 
1 1 1  -36   10   37 o  153.262   5.5486  164.491   10.753  169.101   13.155  155.209   18.666  157.076   6.1803  149.448   9.2169 7.628387 11.09723 
1 1 1  -36   10   38 o   88.953   6.9103   56.902   7.8354   61.000   9.7959   49.624   13.055   94.025   7.6881   83.881   11.485 10.14424 13.82070 
1 1 1  -36   10   39 o  156.568   5.4846  167.919   10.908  165.383   13.250  173.254   19.216  155.251   6.2980  157.885   8.9811 -2.634064 10.96924 
1 1 1  -36   10   40 o  218.394   5.4484  325.707   14.853  319.851   17.763  339.319   27.082  215.963   6.0695  220.825   9.0500 -4.862274 10.89683 
1 1 1  -36   10   41 f   59.869   8.6386   25.985   6.6655   28.203   10.565   24.518   8.5910   61.730   13.039   58.008   11.335 3.722248 17.27712 
1 1 1  -36   10   42 o   83.389   6.6970   49.645   7.3697   42.605   11.253   54.932   9.7520   77.754   10.680   89.024   8.0836 -11.26989 13.39405 
1 1 1  -36   10   43 o  194.088   6.2079  258.448   14.893  272.165   27.663  252.849   17.673  196.606   10.383  191.570   6.8078 5.036057 12.41577 
1 1 1  -36   10   44 o   97.978   6.2996   68.800   8.1160   56.144   12.260   78.674   10.829   89.321   10.129  106.635   7.4936 -17.31395 12.59925 
1 1 1  -36   10   45 o  119.982   5.5841  100.039   9.0189   98.755   13.502  101.072   12.119  119.113   8.3648  120.852   7.4000 -1.738693 11.16827 
1 1 1  -36   10   46 o  205.171   5.9957  295.558   16.277  303.837   21.065  283.290   25.642  209.440   7.4219  200.903   9.4186 8.537598 11.99148 
1 1 1  -36   10   47 o   91.227   9.3685   64.128   10.601   44.265   15.834   80.261   14.270   75.777   15.926  106.677   9.8714 -30.90023 18.73692 
1 1 1  -36   10   48 o  122.320   6.3606  104.288   10.361  101.413   13.389  108.579   16.359  120.587   8.1936  124.052   9.7311 -3.465492 12.72119 
1 1 1  -36   10   49 f   97.379   8.9982   66.612   11.874   66.612   11.874   0.0000   0.0000   97.379   8.9982  ?   ?       ?      ? 
1 1 1  -36   10   50 o   48.982   10.113   17.488   7.1479   13.051   9.2984   23.899   11.176   42.340   13.964   55.624   14.631 -13.28360 20.22513 
1 1 1  -36   10   51 o   85.044   7.2879   49.835   8.2549   41.788   10.576   62.379   13.205   76.602   10.188   93.485   10.423 -16.88272 14.57571 
1 1 1  -36   10   52 o  116.229   6.4269   94.273   9.8868   90.293   12.584  100.692   15.981  113.510   8.1809  118.948   9.9144 -5.438461 12.85389 
1 1 1  -36   10   53 o  113.898   6.4003   89.691   9.7101   81.275   12.428  102.881   15.558  107.457   8.5345  120.339   9.5402 -12.88200 12.80051 
1 1 1  -36   10   54 o   41.885   10.108   12.246   6.9076   8.9326   9.1239   16.694   10.573   37.128   13.715   46.641   14.853 -9.513779 20.21648 
1 1 1  -36   10   55 f   78.498   7.7119   43.820   8.1219   36.690   10.759   53.267   12.384   71.081   11.169   85.915   10.637 -14.83330 15.42386 
1 1 1  -36   10   56 o  106.145   6.7113   79.087   9.5355   72.235   12.371   89.118   14.968  100.818   9.0549  111.471   9.9085 -10.65273 13.42269 
1 1 1  -36   10   57 o   38.044   14.371   9.3159   10.131   0.0000   0.0000   9.3159   10.131  ?   ?    38.044   14.371      ?      ? 
1 1 1  -36   10   58 o   33.577   13.761   4.7731   9.9904   0.0000   0.0000   4.7731   9.9904  ?   ?    33.577   13.761      ?      ? 
1 1 1  -36   10   59 o   55.121   11.142   24.961   8.7258   22.834   13.638   26.435   11.354   52.699   16.878   57.542   14.551 -4.843044 22.28481 
1 1 1  -36   10   60 o   71.671   10.316   40.632   9.5613   41.505   14.850   40.014   12.496   71.488   15.753   71.855   13.324 -0.3671951 20.63243 
1 1 1  -36   10   61 o   51.795   10.976   22.545   8.8083   13.326   13.844   28.815   11.417   43.494   16.710   60.097   14.238 -16.60291 21.95282 
1 1 1  -36   10   62 o   44.712   11.055   14.619   8.3682   21.448   12.776   9.4878   11.074   50.965   16.338   38.459   14.898 12.50653 22.11061 
1 1 1  -36   10   63 o  116.533   11.787  101.446   18.613  101.446   18.613   0.0000   0.0000  116.533   11.787  ?   ?       ?      ? 
1 1 1  -36   10   64 o   46.590   11.061   15.287   8.8008   28.062   13.535   5.9291   11.584   57.539   16.502   35.641   14.734 21.89791 22.12279 
1 1 1  -36   10   65 o   83.319   10.227   57.562   10.755   38.825   15.885   73.421   14.614   67.000   17.356   99.639   10.823 -32.63892 20.45449 
1 1 1  -36   10   66 o   61.784   9.5698   31.324   9.8586   1.4510   14.241   58.816   13.662   34.893   15.397   88.676   11.369 -53.78282 19.13956 
1 1 1  -36   10   67 o   49.987   11.746   21.395   9.4784   16.865   14.160   25.073   12.759   45.810   17.053   54.163   16.158 -8.353012 23.49219 
1 1 1  -36   10   68 o   60.014   11.485   30.043   10.125   45.785   15.231   17.578   13.554   73.873   15.699   46.154   16.767 27.71931 22.96959 
1 1 1  -36   10   69 o   74.852   10.932   48.379   10.905   32.515   15.891   62.501   14.993   59.578   18.092   90.125   12.276 -30.54608 21.86340 
1 1 1  -36   10   70 o  122.026   11.220  112.846   18.553   0.0000   0.0000  112.846   18.553  ?   ?   122.026   11.220      ?      ? 
1 1 1  -36   10   71 o   51.479   16.727   23.802   13.360   0.0000   0.0000   23.802   13.360  ?   ?    51.479   16.727      ?      ? 
1 1 1  -36   10   72 o   50.921   16.836   23.664   13.513   0.0000   0.0000   23.664   13.513  ?   ?    50.921   16.836      ?      ? 
1 1 1  -36   10   73 o   45.430   16.859   18.382   13.819   0.0000   0.0000   18.382   13.819  ?   ?    45.430   16.859      ?      ? 
1 1 1  -36   11    1 o   67.926   9.9739   32.368   9.1809   32.368   9.1809   0.0000   0.0000   67.926   9.9739  ?   ?       ?      ? 
1 1 1  -36   11    2 o  153.914   7.1103  163.331   14.830  163.331   14.830   0.0000   0.0000  153.914   7.1103  ?   ?       ?      ? 
1 1 1  -36   11    3 o   57.683   11.669   24.337   8.8081   24.337   8.8081   0.0000   0.0000   57.683   11.669  ?   ?       ?      ? 
1 1 1  -36   11    4 o  155.636   4.5049  172.117   9.0179  145.602   14.635  188.347   11.450  145.260   7.4347  166.011   5.0895 -20.75153 9.009891 
1 1 1  -36   11    5 o   63.889   6.5525   27.028   5.5118   34.788   9.2321   22.731   6.8707   70.588   9.6514   57.191   8.8652 13.39681 13.10501 
1 1 1  -36   11    6 o   98.352   4.6338   67.653   5.9048   70.976   7.4512   62.043   9.6815  101.873   5.3974   94.830   7.5337 7.042114 9.267642 
1 1 1  -36   11    7 o   78.872   4.9481   43.303   5.1413   45.165   6.6289   40.492   8.1449   81.180   6.0258   76.563   7.8502 4.616089 9.896209 
1 1 1  -36   11    8 f  193.938   5.3266  257.096   13.999  257.096   13.999   0.0000   0.0000  193.938   5.3266  ?   ?       ?      ? 
1 1 1  -36   11    9 o  177.649   4.6706  213.005   10.510  206.561   12.684  227.119   18.771  173.830   5.3846  181.469   7.6331 -7.639053 9.341206 
1 1 1  -36   11   10 o  134.717   4.6012  122.741   8.0516  118.419   9.9691  130.850   13.655  131.579   5.5910  137.855   7.3093 -6.276535 9.202446 
1 1 1  -36   11   11 o  140.505   4.7624  136.739   8.6541  139.630   10.808  131.576   14.446  142.887   5.5818  138.124   7.7178 4.763596 9.524785 
1 1 1  -36   11   12 o  179.246   4.7826  218.127   10.961  213.155   13.372  228.312   19.139  176.549   5.5891  181.943   7.7624 -5.394196 9.565192 
1 1 1  -36   11   13 o  122.807   5.2010  102.459   8.5980   91.335   11.406  117.102   13.085  115.200   7.3062  130.414   7.4042 -15.21436 10.40207 
1 1 1  -36   11   14 o  117.832   5.4311   95.983   8.6185   98.548   11.657   92.891   12.800  119.698   7.1862  115.967   8.1453 3.731789 10.86221 
1 1 1  -36   11   15 f  163.867   6.6620  188.562   14.221  179.226   23.249  194.144   17.976  159.982   10.724  167.751   7.9078 -7.769745 13.32405 
1 1 1  -36   11   16 o  214.011   5.4664  318.785   15.528  332.868   20.303  298.939   24.102  220.172   6.8049  207.850   8.5570 12.32199 10.93287 
1 1 1  -36   11   17 o   62.078   7.9641   27.407   6.5547   29.910   9.5065   25.138   9.0497   65.359   10.733   58.796   11.769 6.562931 15.92813 
1 1 1  -36   11   18 o  149.838   5.3370  153.806   10.745  148.584   14.196  160.809   16.441  147.009   7.1260  152.668   7.9469 -5.659088 10.67395 
1 1 1  -36   11   19 o   74.128   7.0952   38.719   7.0141   46.144   9.8806   31.177   9.9586   81.586   8.9369   66.670   11.023 14.91628 14.19033 
1 1 1  -36   11   20 o  212.492   6.9540  310.235   20.024  310.235   20.024   0.0000   0.0000  212.492   6.9540  ?   ?       ?      ? 
1 1 1  -36   11   21 o  157.235   5.5206  171.143   11.621  175.052   15.398  165.971   17.713  159.559   7.1213  154.911   8.4377 4.648346 11.04118 
1 1 1  -36   11   22 f  115.075   5.3901   90.519   8.1599   88.265   10.310   94.298   13.351  113.390   6.7094  116.760   8.4378 -3.370178 10.78022 
1 1 1  -36   11   23 o  116.976   5.5410   96.049   8.3799  100.453   10.540   88.481   13.816  121.026   6.4265  112.926   9.0285 8.099648 11.08209 
1 1 1  -36   11   24 o  178.583   5.1770  220.343   11.674  221.829   14.179  217.215   20.569  180.039   5.8115  177.126   8.5692 2.912338 10.35395 
1 1 1  -36   11   25 o  148.219   5.1310  147.914   9.7665  141.290   11.912  161.498   17.059  143.600   6.1213  152.839   8.2363 -9.239120 10.26191 
1 1 1  -36   11   26 o  138.169   5.3342  131.921   9.4446  132.651   11.630  130.507   16.185  139.119   6.1691  137.218   8.7038 1.901764 10.66834 
1 1 1  -36   11   27 o  172.451   5.1354  201.375   11.260  195.192   13.639  214.613   19.957  168.810   5.9620  176.092   8.3632 -7.281998 10.27081 
1 1 1  -36   11   28 o  209.450   5.7680  305.121   16.139  314.769   21.327  292.190   24.690  213.740   7.3630  205.159   8.8806 8.581192 11.53599 
1 1 1  -36   11   29 o   72.629   8.1942   37.952   7.7338   29.643   10.777   46.775   11.105   63.459   12.970   81.800   10.018 -18.34095 16.38837 
1 1 1  -36   11   30 o   92.780   5.9800   56.971   7.3061   48.892   9.1094   71.540   12.232   84.088   7.9942  101.472   8.8957 -17.38461 11.95999 
1 1 1  -36   11   31 o   76.357   6.7122   39.916   6.8089   37.087   8.6849   44.429   10.969   73.070   8.7709   79.643   10.163 -6.572891 13.42435 
1 1 1  -36   11   32 f  170.830   5.2479  199.191   11.430  195.037   13.913  207.815   20.047  168.623   6.0888  173.036   8.5491 -4.413528 10.49574 
1 1 1  -36   11   33 o   66.259   7.9379   32.042   6.7183   34.090   8.6590   28.944   10.649   69.945   9.1354   62.573   12.984 7.372292 15.87579 
1 1 1  -36   11   34 o  153.425   6.2178  161.636   12.927  161.636   12.927   0.0000   0.0000  153.425   6.2178  ?   ?       ?      ? 
1 1 1  -36   11   35 o   57.595   8.7267   25.601   6.5828   30.449   8.4270   18.011   10.544   66.003   9.4216   49.187   14.692 16.81626 17.45347 
1 1 1  -36   11   36 o  113.932   5.9521   93.260   8.6448  100.707   10.833   80.205   14.344  120.956   6.6093  106.907   9.9009 14.04854 11.90422 
1 1 1  -36   11   37 o   88.041   6.5615   53.259   7.5588   50.694   9.4324   57.863   12.637   85.445   8.1461   90.636   10.288 -5.191681 13.12294 
1 1 1  -36   11   38 o  102.259   6.1039   69.808   8.0856   63.116   9.8775   83.402   14.077   95.453   7.6361  109.065   9.5248 -13.61192 12.20786 
1 1 1  -36   11   39 o   74.166   8.3208   43.029   7.3899   50.326   9.2762   30.354   12.226   85.104   8.0433   63.228   14.569 21.87625 16.64152 
1 1 1  -36   11   40 o   99.780   6.3290   69.588   8.1912   69.442   10.213   69.852   13.715  100.092   7.5293   99.467   10.175 0.6242905 12.65794 
1 1 1  -36   11   41 o   88.597   6.5445   51.622   7.6059   39.863   9.4881   72.766   12.723   75.356   9.2914  101.839   9.2191 -26.48286 13.08897 
1 1 1  -36   11   42 o  121.216   7.9402  109.881   12.347   81.502   18.961  130.772   16.268  105.760   13.230  136.672   8.7838 -30.91197 15.88035 
1 1 1  -36   11   43 o  143.316   9.2948  144.515   18.052   0.0000   0.0000  144.515   18.052  ?   ?   143.316   9.2948      ?      ? 
1 1 1  -36   11   44 o   64.945   9.1831   33.496   7.9584   49.077   10.946   16.019   11.592   83.328   9.6932   46.562   15.600 36.76538 18.36613 
1 1 1  -36   11   45 o  143.840   6.0979  146.243   11.659  151.565   15.268  138.798   18.059  147.533   7.6367  140.147   9.5089 7.386261 12.19586 
1 1 1  -36   11   46 o   67.231   8.9218   34.029   7.8396   37.812   10.562   29.390   11.698   72.677   10.725   61.785   14.261 10.89207 17.84368 
1 1 1  -36   11   47 o   78.350   7.9376   44.201   8.3155   43.890   10.910   44.631   12.846   78.408   10.268   78.293   12.108 0.1152420 15.87517 
1 1 1  -36   11   48 o   73.918   10.420   39.139   10.438   39.139   10.438   0.0000   0.0000   73.918   10.420  ?   ?       ?      ? 
1 1 1  -36   11   49 o  124.956   7.9365  109.427   13.439  109.427   13.439   0.0000   0.0000  124.956   7.9365  ?   ?       ?      ? 
1 1 1  -36   11   50 o   70.659   8.4035   36.136   7.8052   31.362   10.182   42.940   12.155   64.610   12.073   76.709   11.693 -12.09882 16.80706 
1 1 1  -36   11   51 o  115.561   6.4587   95.554   9.8967   98.606   12.887   91.166   15.452  118.435   8.0295  112.687   10.118 5.747414 12.91731 
1 1 1  -36   11   52 o   50.178   9.2820   17.972   6.9820   7.4489   9.2334   32.023   10.670   35.479   13.642   64.877   12.590 -29.39782 18.56409 
1 1 1  -36   11   53 o   84.007   8.7606   52.415   9.8069   51.931   15.215   52.760   12.827   82.971   13.532   85.042   11.130 -2.070969 17.52117 
1 1 1  -36   11   54 o   70.224   9.9906   39.240   9.1407   32.568   14.133   44.037   11.985   62.982   16.399   77.467   11.416 -14.48492 19.98110 
1 1 1  -36   11   55 o   37.739   10.541   8.3093   7.8569   6.8301   12.801   9.2035   9.9522   37.822   15.547   37.657   14.239 0.1647034 21.08179 
1 1 1  -36   11   56 o   43.225   11.028   13.656   8.0714   14.851   13.276   12.956   10.166   44.739   16.540   41.711   14.590 3.028088 22.05519 
1 1 1  -36   11   57 f   78.400   11.857   45.696   12.597   0.0000   0.0000   45.696   12.597  ?   ?    78.400   11.857      ?      ? 
1 1 1  -36   11   58 o   71.235   10.102   40.774   9.3508   35.318   14.613   44.556   12.168   64.989   16.549   77.480   11.589 -12.49072 20.20321 
1 1 1  -36   11   59 o   66.061   10.860   35.224   9.4636   39.300   14.522   32.214   12.477   69.070   15.851   63.051   14.848 6.019615 21.71905 
1 1 1  -36   11   60 o   47.221   11.466   18.110   8.8913   15.956   13.617   19.711   11.739   45.398   16.758   49.044   15.654 -3.645599 22.93198 
1 1 1  -36   11   61 o   50.471   10.778   21.064   8.8210   9.3721   13.161   30.599   11.886   39.517   15.942   61.426   14.510 -21.90846 21.55621 
1 1 1  -36   11   62 o   53.457   17.112   24.575   14.020   24.575   14.020   0.0000   0.0000   53.457   17.112  ?   ?       ?      ? 
1 1 1  -36   11   63 o   58.002   11.787   28.376   9.7863   35.466   14.849   22.931   13.012   64.123   16.864   51.881   16.473 12.24168 23.57390 
1 1 1  -36   11   64 o   48.028   11.736   19.425   9.5065   14.466   14.242   23.410   12.767   43.754   16.910   52.301   16.277 -8.546902 23.47114 
1 1 1  -36   11   65 o   42.477   11.423   13.336   9.0613   17.144   13.729   10.397   12.061   45.747   16.836   39.207   15.443 6.539318 22.84660 
1 1 1  -36   11   66 o   74.901   10.782   46.953   10.704   41.282   15.682   51.899   14.647   68.533   16.974   81.270   13.299 -12.73655 21.56386 
1 1 1  -36   11   67 o   56.290   12.140   28.645   10.129   26.963   14.659   30.182   14.013   54.438   17.505   58.141   16.825 -3.703548 24.27969 
1 1 1  -36   11   68 f   75.814   11.165   49.152   11.073   52.715   16.365   46.142   15.039   78.215   15.980   73.413   15.598 4.801834 22.33034 
1 1 1  -36   11   69 o   45.872   17.082   18.438   14.211   0.0000   0.0000   18.438   14.211  ?   ?    45.872   17.082      ?      ? 
1 1 1  -36   11   70 o   35.833   15.437   5.8965   13.597   0.0000   0.0000   5.8965   13.597  ?   ?    35.833   15.437      ?      ? 
1 1 1  -36   11   71 o   41.418   16.548   13.902   14.034   0.0000   0.0000   13.902   14.034  ?   ?    41.418   16.548      ?      ? 
1 1 1  -36   11   72 o   30.559   13.989  -1.7060   13.032   0.0000   0.0000  -1.7060   13.032  ?   ?    30.559   13.989      ?      ? 
1 1 1  -36   11   73 o   37.769   15.892   9.9848   13.831   0.0000   0.0000   9.9848   13.831  ?   ?    37.769   15.892      ?      ? 
1 1 1  -36   12    1 o   91.817   8.2956   58.866   10.322   58.866   10.322   0.0000   0.0000   91.817   8.2956  ?   ?       ?      ? 
1 1 1  -36   12    2 o  172.014   7.0037  204.756   16.326  204.756   16.326   0.0000   0.0000  172.014   7.0037  ?   ?       ?      ? 
1 1 1  -36   12    3 o  177.444   7.0379  217.840   16.923  217.840   16.923   0.0000   0.0000  177.444   7.0379  ?   ?       ?      ? 
1 1 1  -36   12    4 f   90.448   8.6712   57.171   10.628   57.171   10.628   0.0000   0.0000   90.448   8.6712  ?   ?       ?      ? 
1 1 1  -36   12    5 o   43.998   8.1154   13.381   4.5236   16.825   8.5398   12.038   5.3332   47.417   12.933   40.580   9.8073 6.837234 16.23070 
1 1 1  -36   12    6 f  106.674   5.4235   79.187   7.8030   75.776   11.449   82.146   10.663  104.381   8.0937  108.967   7.2214 -4.585556 10.84692 
1 1 1  -36   12    7 o  209.628   4.7888  300.708   12.558  296.778   15.062  309.674   22.748  208.109   5.3407  211.148   7.9502 -3.038681 9.577511 
1 1 1  -36   12    8 o  116.333   4.7552   95.022   7.1537   99.579   9.0059   87.232   11.776  120.513   5.5145  112.152   7.7484 8.360367 9.510388 
1 1 1  -36   12    9 o  121.088   5.7287  100.609   9.4003  100.609   9.4003   0.0000   0.0000  121.088   5.7287  ?   ?       ?      ? 
1 1 1  -36   12   10 o  100.021   4.8628   68.354   6.4378   66.050   8.2034   72.048   10.387   98.019   6.1759  102.022   7.5131 -4.002205 9.725648 
1 1 1  -36   12   11 o  183.384   4.7013  226.038   10.984  215.733   13.288  248.273   19.518  177.412   5.5272  189.356   7.6064 -11.94444 9.402537 
1 1 1  -36   12   12 o  108.875   4.8356   79.995   6.9906   73.645   8.8951   90.253   11.305  103.476   6.3435  114.275   7.3002 -10.79932 9.671290 
1 1 1  -36   12   13 o  236.401   5.1371  388.671   15.236  393.115   18.432  379.084   27.073  239.435   5.6806  233.367   8.5609 6.068115 10.27420 
1 1 1  -36   12   14 o  138.245   4.8446  130.476   8.7582  127.013   10.964  136.582   14.559  136.026   5.9478  140.464   7.6487 -4.438034 9.689101 
1 1 1  -36   12   15 o  180.805   5.3722  224.121   13.095  205.886   17.468  247.514   19.785  172.550   7.4705  189.060   7.7223 -16.51051 10.74440 
1 1 1  -36   12   16 o   68.048   6.3629   32.426   5.8250   33.447   7.8622   31.184   8.6728   69.373   8.3631   66.722   9.5919 2.650940 12.72585 
1 1 1  -36   12   17 f  197.143   5.0648  271.778   12.684  278.837   15.573  257.867   21.860  201.664   5.6985  192.623   8.3746 9.041229 10.12951 
1 1 1  -36   12   18 o  132.946   4.9656  119.028   8.6546  111.157   10.790  133.225   14.492  127.173   6.2611  138.720   7.7090 -11.54680 9.931253 
1 1 1  -36   12   19 o  208.495   5.0397  293.945   13.271  283.680   15.962  316.922   23.880  203.368   5.7920  213.622   8.2491 -10.25449 10.07949 
1 1 1  -36   12   20 o   56.547   10.665   23.223   7.8727   23.223   7.8727   0.0000   0.0000   56.547   10.665  ?   ?       ?      ? 
1 1 1  -36   12   21 o  169.720   5.1261  201.855   11.114  208.209   13.741  189.838   18.897  174.212   5.8206  165.229   8.4396 8.983063 10.25216 
1 1 1  -36   12   22 o  140.963   5.2338  138.153   9.5673  140.185   11.970  134.559   15.919  142.830   6.1845  139.096   8.4454 3.733154 10.46767 
1 1 1  -36   12   23 o  243.551   5.2850  401.271   16.117  387.273   19.249  434.102   29.479  237.495   5.9809  249.607   8.7150 -12.11115 10.56990 
1 1 1  -36   12   24 o  113.018   5.5248   89.422   8.1683   92.219   10.388   84.892   13.221  115.713   6.6246  110.324   8.8436 5.389580 11.04960 
1 1 1  -36   12   25 o  166.570   5.3176  198.619   11.251  213.848   14.031  171.191   18.830  176.508   5.8660  156.633   8.8711 19.87485 10.63513 
1 1 1  -36   12   26 o   92.034   5.9630   58.039   7.2927   54.545   9.3214   63.554   11.709   88.707   7.7543   95.362   9.0609 -6.654938 11.92593 
1 1 1  -36   12   27 f  121.515   5.3525  100.225   8.4820   95.080   10.525  109.755   14.325  117.469   6.6120  125.561   8.4190 -8.092361 10.70506 
1 1 1  -36   12   28 o  110.208   6.2504   84.699   9.3282   81.303   12.911   88.408   13.493  107.904   8.8294  112.512   8.8495 -4.608238 12.50083 
1 1 1  -36   12   29 o  210.515   5.2339  301.002   13.857  291.518   16.623  322.604   25.088  205.975   5.9555  215.056   8.6086 -9.080856 10.46784 
1 1 1  -36   12   30 o  100.664   5.8839   70.053   7.7593   68.544   9.7529   72.654   12.807   99.534   7.2307  101.795   9.2843 -2.260117 11.76784 
1 1 1  -36   12   31 o   54.320   8.5334   21.556   6.0466   19.656   7.8578   24.314   9.4677   51.547   11.537   57.092   12.577 -5.544662 17.06684 
1 1 1  -36   12   32 o   88.323   6.6727   57.704   7.4688   65.894   9.5222   44.609   12.040   97.564   7.2022   79.082   11.235 18.48233 13.34539 
1 1 1  -36   12   33 o  183.952   5.9929  232.784   14.939  232.784   14.939   0.0000   0.0000  183.952   5.9929  ?   ?       ?      ? 
1 1 1  -36   12   34 o  156.327   6.1357  168.295   12.998  168.295   12.998   0.0000   0.0000  156.327   6.1357  ?   ?       ?      ? 
1 1 1  -36   12   35 o   97.476   5.9638   64.669   7.5998   60.151   9.4338   73.023   12.827   93.071   7.4797  101.880   9.2910 -8.808441 11.92763 
1 1 1  -36   12   36 o   63.966   8.4167   29.461   7.0717   22.381   9.4409   38.511   10.674   54.433   12.981   73.499   10.717 -19.06576 16.83331 
1 1 1  -36   12   37 o  156.260   6.7609  173.038   14.178  167.890   21.383  177.077   18.940  153.692   10.267  158.828   8.7997 -5.136078 13.52184 
1 1 1  -36   12   38 o   65.417   10.232   33.068   8.6232   31.796   14.052   33.837   10.921   63.458   16.266   67.377   12.419 -3.919388 20.46462 
1 1 1  -36   12   39 o  133.327   6.0578  125.755   10.764  131.127   14.203  118.505   16.498  137.171   7.6405  129.482   9.4027 7.689667 12.11555 
1 1 1  -36   12   40 o   63.935   8.7812   29.905   7.4254   23.558   9.9822   37.769   11.111   55.502   13.420   72.367   11.329 -16.86511 17.56247 
1 1 1  -36   12   41 o   32.407   9.3137   4.2214   6.4174   5.4767   8.6044   2.6479   9.6338   33.091   13.041   31.722   13.301 1.369419 18.62734 
1 1 1  -36   12   42 f   57.131   9.9223   27.284   8.6884   8.5527   13.991   39.041   11.085   40.726   16.434   73.536   11.123 -32.81027 19.84456 
1 1 1  -36   12   43 o   98.989   6.6972   68.438   8.8818   62.039   11.549   77.699   13.895   93.599   9.1055  104.380   9.8233 -10.78027 13.39431 
1 1 1  -36   12   44 o   47.877   9.9641   17.194   6.9195   13.436   9.1441   22.228   10.585   42.432   13.841   53.323   14.337 -10.89083 19.92818 
1 1 1  -36   12   45 o   36.287   9.7064   8.1315   6.5198   8.5225   8.6972   7.6299   9.8509   36.279   13.392   36.294   14.054 -0.1539993E-01 19.41288 
1 1 1  -36   12   46 o   66.081   9.0326   34.378   7.6872   40.809   10.115   25.587   11.827   75.460   9.8917   56.702   15.116 18.75853 18.06520 
1 1 1  -36   12   47 o   58.879   12.712   26.567   9.8456   26.567   9.8456   0.0000   0.0000   58.879   12.712  ?   ?       ?      ? 
1 1 1  -36   12   48 o   41.608   15.719   11.713   12.122   11.713   12.122   0.0000   0.0000   41.608   15.719  ?   ?       ?      ? 
1 1 1  -36   12   49 o   65.602   9.9252   36.058   8.8524   19.099   13.469   48.958   11.746   49.062   16.813   82.142   10.552 -33.07991 19.85035 
1 1 1  -36   12   50 o   36.917   10.025   7.6913   7.5820  -1.2709   12.149   13.408   9.7034   31.660   14.083   42.175   14.272 -10.51563 20.05057 
1 1 1  -36   12   51 o   28.203   9.0842  -4.0994   7.3118  -1.7884   12.208  -5.3923   9.1307   31.374   14.025   25.031   11.550 6.342676 18.16834 
1 1 1  -36   12   52 o   71.224   10.186   39.233   9.2753   44.673   15.130   35.957   11.740   74.377   15.514   68.071   13.203 6.306053 20.37151 
1 1 1  -36   12   53 o   53.022   10.727   23.977   8.5088   14.557   13.915   29.604   10.754   44.555   16.839   61.489   13.293 -16.93438 21.45336 
1 1 1  -36   12   54 o   35.685   10.284   6.2966   7.8885   1.5846   12.997   9.0446   9.9258   34.119   14.892   37.250   14.187 -3.131317 20.56820 
1 1 1  -36   12   55 o   59.457   10.872   30.051   8.9691   22.905   14.069   34.944   11.641   52.159   17.176   66.756   13.335 -14.59676 21.74476 
1 1 1  -36   12   56 o   56.572   14.940   26.206   11.623   0.0000   0.0000   26.206   11.623  ?   ?    56.572   14.940      ?      ? 
1 1 1  -36   12   57 o   44.636   10.980   14.685   8.3037   22.300   12.673   8.9550   10.992   51.573   16.244   37.699   14.776 13.87312 21.95919 
1 1 1  -36   12   58 o   44.103   11.144   15.315   8.4519   13.187   13.009   16.869   11.118   42.498   16.229   45.709   15.278 -3.210449 22.28845 
1 1 1  -36   12   59 o   55.332   11.029   26.288   8.8742   19.607   13.435   31.459   11.819   48.438   16.782   62.226   14.315 -13.78881 22.05754 
1 1 1  -36   12   60 o   54.759   10.540   25.417   9.1799   9.3339   13.481   39.323   12.535   39.365   16.041   70.153   13.677 -30.78820 21.08068 
1 1 1  -36   12   61 o   49.932   16.911   21.484   13.624   21.484   13.624   0.0000   0.0000   49.932   16.911  ?   ?       ?      ? 
1 1 1  -36   12   62 o  100.583   8.7856   77.973   11.971   77.736   17.134   78.199   16.731  100.249   12.613  100.918   12.234 -0.6689529 17.57116 
1 1 1  -36   12   63 o   39.680   11.182   10.501   9.2105   6.0408   13.313   14.595   12.756   36.441   15.476   42.919   16.144 -6.477928 22.36375 
1 1 1  -36   12   64 o   57.169   11.928   29.348   9.8832   31.308   14.173   27.492   13.788   59.049   16.871   55.288   16.867 3.760487 23.85633 
1 1 1  -36   12   65 o   68.384   11.656   41.431   10.675   41.859   14.922   40.983   15.277   69.033   16.225   67.734   16.740 1.298958 23.31261 
1 1 1  -36   12   66 o   51.515   12.096   24.481   9.9481   20.909   14.041   28.082   14.097   47.994   17.112   55.037   17.100 -7.043148 24.19146 
1 1 1  -36   12   67 o   35.225   10.588   5.0540   9.1135   11.846   12.965  -1.5793   12.813   39.693   15.889   30.756   13.999 8.937035 21.17623 
1 1 1  -36   12   68 o   29.371   13.581  -3.8105   12.723   0.0000   0.0000  -3.8105   12.723  ?   ?    29.371   13.581      ?      ? 
1 1 1  -36   12   69 f   29.081   13.501  -4.1235   12.763   0.0000   0.0000  -4.1235   12.763  ?   ?    29.081   13.501      ?      ? 
1 1 1  -36   12   70 o   70.836   16.244   46.483   15.260   0.0000   0.0000   46.483   15.260  ?   ?    70.836   16.244      ?      ? 
1 1 1  -36   12   71 o   28.410   13.309  -4.9391   12.862   0.0000   0.0000  -4.9391   12.862  ?   ?    28.410   13.309      ?      ? 
1 1 1  -36   12   72 o   56.438   17.468   33.089   14.727   0.0000   0.0000   33.089   14.727  ?   ?    56.438   17.468      ?      ? 
1 1 1  -36   13    1 o   78.406   9.3053   43.644   9.8869   43.644   9.8869   0.0000   0.0000   78.406   9.3053  ?   ?       ?      ? 
1 1 1  -36   13    2 o   44.340   13.121   14.920   8.4383   14.920   8.4383   0.0000   0.0000   44.340   13.121  ?   ?       ?      ? 
1 1 1  -36   13    3 o  119.763   7.6278  100.197   12.380  100.197   12.380   0.0000   0.0000  119.763   7.6278  ?   ?       ?      ? 
1 1 1  -36   13    4 o   46.073   13.281   16.163   8.7471   16.163   8.7471   0.0000   0.0000   46.073   13.281  ?   ?       ?      ? 
1 1 1  -36   13    5 o  125.265   7.6751  109.550   13.029  109.550   13.029   0.0000   0.0000  125.265   7.6751  ?   ?       ?      ? 
1 1 1  -36   13    6 o  105.115   8.2653   77.465   11.773   77.465   11.773   0.0000   0.0000  105.115   8.2653  ?   ?       ?      ? 
1 1 1  -36   13    7 o  125.598   7.7099  110.070   13.122  110.070   13.122   0.0000   0.0000  125.598   7.7099  ?   ?       ?      ? 
1 1 1  -36   13    8 o   61.731   11.906   28.384   9.5993   28.384   9.5993   0.0000   0.0000   61.731   11.906  ?   ?       ?      ? 
1 1 1  -36   13    9 o   48.947   13.644   18.284   9.3894   18.284   9.3894   0.0000   0.0000   48.947   13.644  ?   ?       ?      ? 
1 1 1  -36   13   10 o  104.038   4.9968   73.820   6.8113   70.263   8.5135   80.146   11.353  100.891   6.2270  107.186   7.8164 -6.295410 9.993563 
1 1 1  -36   13   11 o   97.976   5.0798   66.647   6.5910   66.637   8.4744   66.664   10.486   98.220   6.3668   97.732   7.9172 0.4877930 10.15968 
1 1 1  -36   13   12 o  107.158   4.9789   78.668   7.0432   75.499   8.9224   83.907   11.473  104.578   6.2959  109.739   7.7149 -5.161003 9.957849 
1 1 1  -36   13   13 o   28.359   7.6625   3.7575   4.2695   0.6151   6.0834   6.8077   5.9936   24.606   10.456   32.112   11.204 -7.505365 15.32506 
1 1 1  -36   13   14 o  145.817   4.8128  143.360   9.0690  135.037   11.112  159.962   15.694  140.049   5.8551  151.585   7.6401 -11.53625 9.625656 
1 1 1  -36   13   15 o  102.822   5.9251   73.979   8.2511   74.244   11.879   73.731   11.469  102.947   8.5152  102.697   8.2412 0.2499313 11.85016 
1 1 1  -36   13   16 o  101.384   5.1269   70.136   6.8895   65.836   8.7585   77.113   11.158   97.580   6.6235  105.189   7.8276 -7.609421 10.25386 
1 1 1  -36   13   17 o   31.605   7.9667   5.6995   4.5988   1.2458   6.5826   9.9460   6.4276   26.121   10.976   37.089   11.550 -10.96802 15.93340 
1 1 1  -36   13   18 o   83.501   5.7731   48.974   6.3891   50.093   8.2822   47.329   10.041   84.967   7.1931   82.036   9.0319 2.931099 11.54620 
1 1 1  -36   13   19 o   36.694   8.4529   9.5117   4.8546   8.0056   6.8375   11.043   6.8937   34.505   11.971   38.884   11.937 -4.379074 16.90581 
1 1 1  -36   13   20 o  102.526   6.6232   72.679   9.2020   72.679   9.2020   0.0000   0.0000  102.526   6.6232  ?   ?       ?      ? 
1 1 1  -36   13   21 f  102.857   5.3693   72.010   7.3445   65.800   9.3711   81.899   11.825   97.404   7.0995  108.310   8.0568 -10.90590 10.73852 
1 1 1  -36   13   22 o  142.613   5.0355  139.137   9.3442  134.287   11.601  148.099   15.768  139.551   6.1343  145.675   7.9873 -6.123795 10.07108 
1 1 1  -36   13   23 o   41.675   8.7597   12.959   5.4177   15.680   7.3584   9.7387   8.0062   45.777   11.790   37.574   12.958 8.202328 17.51932 
1 1 1  -36   13   24 o  111.098   5.4061   86.019   7.8829   86.225   9.9948   85.680   12.822  111.655   6.6056  110.541   8.5598 1.114212 10.81221 
1 1 1  -36   13   25 o  103.589   6.0387   74.684   8.4437   68.622   11.353   82.188   12.632   98.950   8.4665  108.227   8.6128 -9.276863 12.07731 
1 1 1  -36   13   26 o   98.764   6.1548   67.948   8.2028   61.953   11.014   75.412   12.291   93.935   8.6528  103.593   8.7554 -9.658562 12.30970 
1 1 1  -36   13   27 o   41.305   10.156   7.5967   6.9295   22.706   12.835   1.3812   8.2324   53.812   16.242   28.798   12.196 25.01433 20.31106 
1 1 1  -36   13   28 o   71.563   9.5092   36.247   8.5363   48.282   14.828   30.281   10.440   79.622   14.267   63.504   12.576 16.11774 19.01839 
1 1 1  -36   13   29 o  133.794   5.6815  125.447   10.181  126.839   13.467  123.591   15.553  134.998   7.3615  132.589   8.6560 2.408936 11.36297 
1 1 1  -36   13   30 o  106.656   6.4054   82.512   8.9536  100.536   12.286   62.099   13.075  120.083   7.5501   93.229   10.349 26.85367 12.81078 
1 1 1  -36   13   31 o  118.137   5.8874   97.657   9.3688   95.365   12.522  100.570   14.120  116.765   7.9139  119.509   8.7188 -2.744774 11.77486 
1 1 1  -36   13   32 o   67.384   7.8300   33.168   6.9826   35.020   9.8037   31.261   9.9478   69.958   10.341   64.809   11.760 5.148949 15.65995 
1 1 1  -36   13   33 o   92.453   12.137   62.463   15.206   62.463   15.206   0.0000   0.0000   92.453   12.137  ?   ?       ?      ? 
1 1 1  -36   13   34 o   54.924   8.7382   22.850   6.6148   14.751   9.3494   30.967   9.3601   44.184   13.956   65.663   10.519 -21.47869 17.47645 
1 1 1  -36   13   35 o   67.850   8.2614   34.671   7.2302   43.362   10.119   25.604   10.335   78.051   9.5669   57.649   13.471 20.40234 16.52283 
1 1 1  -36   13   36 f   68.820   7.6974   34.189   7.1733   32.456   9.9737   36.046   10.325   66.975   10.989   70.666   10.781 -3.690521 15.39479 
1 1 1  -36   13   37 f   45.345   9.7228   15.716   6.6102   19.186   9.2692   12.125   9.4292   49.805   13.428   40.885   14.065 8.920391 19.44553 
1 1 1  -36   13   38 o   62.345   8.8462   29.329   7.1903   27.150   9.6866   32.003   10.731   59.797   12.362   64.893   12.657 -5.096653 17.69245 
1 1 1  -36   13   39 o   44.109   9.6345   14.697   6.6279   19.997   9.2345   9.0673   9.5185   50.794   13.270   37.425   13.972 13.36828 19.26910 
1 1 1  -36   13   40 o   40.961   9.7896   12.331   6.4581   11.176   8.9071   13.611   9.3774   39.402   13.663   42.520   14.024 -3.118141 19.57929 
1 1 1  -36   13   41 o   77.249   10.990   43.455   11.504   0.0000   0.0000   43.455   11.504  ?   ?    77.249   10.990      ?      ? 
1 1 1  -36   13   42 o  119.671   7.6325  108.110   11.804   79.601   17.645  131.204   15.881  103.336   12.601  136.005   8.6166 -32.66898 15.26507 
1 1 1  -36   13   43 o   72.502   9.5086   40.711   8.8825   37.927   14.026   42.575   11.477   68.701   15.442   76.303   11.100 -7.601585 19.01714 
1 1 1  -36   13   44 o   76.471   9.2055   45.150   9.0679   40.598   13.975   48.461   11.917   71.427   14.919   81.516   10.788 -10.08879 18.41100 
1 1 1  -36   13   45 o   73.483   9.8684   45.296   9.1791   27.915   14.289   57.507   11.977   57.721   17.072   89.245   9.9034 -31.52395 19.73688 
1 1 1  -36   13   46 o   75.891   9.7215   44.627   9.7007   43.528   14.513   45.515   13.042   73.772   15.027   78.010   12.337 -4.238205 19.44297 
1 1 1  -36   13   47 o   49.065   16.420   19.509   12.843   19.509   12.843   0.0000   0.0000   49.065   16.420  ?   ?       ?      ? 
1 1 1  -36   13   48 o   74.228   9.7436   42.975   9.4936   41.587   14.312   44.066   12.686   71.763   15.190   76.693   12.207 -4.930351 19.48727 
1 1 1  -36   13   49 f  100.461   8.3247   76.956   10.964   59.392   16.042   92.354   15.020   88.044   13.445  112.878   9.8194 -24.83463 16.64938 
1 1 1  -36   13   50 o   32.450   9.6497   2.6191   7.5440  -4.4531   11.561   7.8644   9.9560   28.867   13.200   36.033   14.079 -7.165670 19.29940 
1 1 1  -36   13   51 o   60.412   10.646   30.842   8.8693   22.694   13.446   37.119   11.801   51.917   16.773   68.907   13.117 -16.98994 21.29268 
1 1 1  -36   13   52 o   54.518   11.407   23.566   9.0067   33.657   14.468   17.182   11.508   62.871   16.700   46.164   15.543 16.70703 22.81371 
1 1 1  -36   13   53 o   39.024   10.763   8.8609   8.2118   15.560   12.954   4.3607   10.618   44.647   16.366   33.400   13.982 11.24718 21.52520 
1 1 1  -36   13   54 o   44.913   11.278   15.721   8.5018   18.873   13.331   13.560   11.038   47.759   16.707   42.067   15.154 5.691372 22.55592 
1 1 1  -36   13   55 o   95.553   11.181   68.224   14.478   0.0000   0.0000   68.224   14.478  ?   ?    95.553   11.181      ?      ? 
1 1 1  -36   13   56 o   38.651   10.505   7.6008   8.1537   18.776   12.674  -0.2896   10.650   47.396   16.307   29.905   13.250 17.49093 21.01093 
1 1 1  -36   13   57 o   30.891   9.6136   0.3212   7.9228  -4.6149   12.244   3.8767   10.391   29.266   13.457   32.517   13.733 -3.250826 19.22712 
1 1 1  -36   13   58 o   55.286   9.8387   25.062   9.2775   3.4225   13.583   43.985   12.702   35.068   15.267   75.504   12.414 -40.43649 19.67744 
1 1 1  -36   13   59 f  127.748   7.7491  123.393   13.317  117.845   19.705  128.056   18.067  124.184   11.709  131.311   10.153 -7.127052 15.49823 
1 1 1  -36   13   60 o   41.851   16.238   13.507   13.171   13.507   13.171   0.0000   0.0000   41.851   16.238  ?   ?       ?      ? 
1 1 1  -36   13   61 o   68.103   10.894   40.822   10.207   28.595   14.944   51.514   13.974   55.384   17.661   80.822   12.759 -25.43749 21.78740 
1 1 1  -36   13   62 o   61.499   11.194   34.834   10.087   20.487   14.835   47.170   13.756   47.520   17.499   75.479   13.964 -27.95885 22.38768 
1 1 1  -36   13   63 o   52.029   9.7705   20.645   9.3694  -3.8407   13.204   45.479   13.297   30.042   13.871   74.017   13.764 -43.97530 19.54093 
1 1 1  -36   13   64 o   49.590   10.805   20.235   9.4280   4.1812   13.058   37.716   13.626   34.109   14.906   65.071   15.646 -30.96154 21.60978 
1 1 1  -36   13   65 o   39.248   11.086   11.473   9.1591   17.035   12.906   5.8287   13.001   43.607   16.271   34.889   15.062 8.718510 22.17237 
1 1 1  -36   13   66 o   58.085   12.096   32.878   10.170   31.974   14.532   33.746   14.238   57.006   17.299   59.164   16.912 -2.157749 24.19204 
1 1 1  -36   13   67 o   50.089   16.845   24.839   13.517   0.0000   0.0000   24.839   13.517  ?   ?    50.089   16.845      ?      ? 
1 1 1  -36   13   68 o   42.813   16.475   17.512   13.471   0.0000   0.0000   17.512   13.471  ?   ?    42.813   16.475      ?      ? 
1 1 1  -36   13   69 o   28.833   13.358  -2.3398   12.400   0.0000   0.0000  -2.3398   12.400  ?   ?    28.833   13.358      ?      ? 
1 1 1  -36   13   70 o   39.711   16.036   14.826   13.332   0.0000   0.0000   14.826   13.332  ?   ?    39.711   16.036      ?      ? 
1 1 1  -36   13   71 o   31.850   14.336   3.7222   12.997   0.0000   0.0000   3.7222   12.997  ?   ?    31.850   14.336      ?      ? 
1 1 1  -36   14    1 f   76.158   14.404   45.577   14.321   45.577   14.321   0.0000   0.0000   76.158   14.404  ?   ?       ?      ? 
1 1 1  -36   14    2 o   35.525   14.698   5.2872   11.540   5.2872   11.540   0.0000   0.0000   35.525   14.698  ?   ?       ?      ? 
1 1 1  -36   14    3 o   84.091   12.880   53.007   14.677   53.007   14.677   0.0000   0.0000   84.091   12.880  ?   ?       ?      ? 
1 1 1  -36   14    4 o   69.104   15.280   38.172   13.929   38.172   13.929   0.0000   0.0000   69.104   15.280  ?   ?       ?      ? 
1 1 1  -36   14    5 o   64.078   15.916   33.303   13.759   33.303   13.759   0.0000   0.0000   64.078   15.916  ?   ?       ?      ? 
1 1 1  -36   14    6 o   31.828   14.066  -0.7366   11.927  -0.7366   11.927   0.0000   0.0000   31.828   14.066  ?   ?       ?      ? 
1 1 1  -36   14    7 o   95.010   12.393   66.933   15.956   66.933   15.956   0.0000   0.0000   95.010   12.393  ?   ?       ?      ? 
1 1 1  -36   14    8 o   46.885   16.306   16.864   12.690   16.864   12.690   0.0000   0.0000   46.885   16.306  ?   ?       ?      ? 
1 1 1  -36   14    9 o   42.040   15.975   11.807   12.566   11.807   12.566   0.0000   0.0000   42.040   15.975  ?   ?       ?      ? 
1 1 1  -36   14   10 o   37.601   15.164   7.1959   11.904   7.1959   11.904   0.0000   0.0000   37.601   15.164  ?   ?       ?      ? 
1 1 1  -36   14   11 o   63.037   16.495   32.369   14.253   32.369   14.253   0.0000   0.0000   63.037   16.495  ?   ?       ?      ? 
1 1 1  -36   14   12 o   48.602   16.472   18.412   12.926   18.412   12.926   0.0000   0.0000   48.602   16.472  ?   ?       ?      ? 
1 1 1  -36   14   13 o   62.015   16.296   31.180   13.874   31.180   13.874   0.0000   0.0000   62.015   16.296  ?   ?       ?      ? 
1 1 1  -36   14   14 o   33.016   14.353   0.8525   11.972   0.8525   11.972   0.0000   0.0000   33.016   14.353  ?   ?       ?      ? 
1 1 1  -36   14   15 o   96.778   12.690   69.427   16.643   69.427   16.643   0.0000   0.0000   96.778   12.690  ?   ?       ?      ? 
1 1 1  -36   14   16 o   57.138   11.469   24.496   8.5718   24.496   8.5718   0.0000   0.0000   57.138   11.469  ?   ?       ?      ? 
1 1 1  -36   14   17 o   83.113   6.4719   49.116   7.1143   36.354   9.7650   63.553   10.386   71.158   10.127   95.068   8.0616 -23.91029 12.94375 
1 1 1  -36   14   18 o   53.028   8.6770   21.393   6.1183   23.475   8.7910   19.437   8.5205   55.675   12.005   50.381   12.532 5.293896 17.35410 
1 1 1  -36   14   19 o   87.744   8.7590   54.493   10.415   54.493   10.415   0.0000   0.0000   87.744   8.7590  ?   ?       ?      ? 
1 1 1  -36   14   20 o   59.032   11.393   26.077   8.7839   26.077   8.7839   0.0000   0.0000   59.032   11.393  ?   ?       ?      ? 
1 1 1  -36   14   21 o  102.837   5.8674   72.815   8.0294   56.202   10.583   95.353   12.326   89.099   8.7647  116.576   7.8028 -27.47632 11.73470 
1 1 1  -36   14   22 o   34.370   8.9521   7.4531   5.5170   9.0442   7.9219   5.9546   7.6877   36.311   12.864   32.428   12.453 3.882919 17.90418 
1 1 1  -36   14   23 o   78.261   7.0525   43.779   6.9986   29.570   9.3639   61.761   10.534   62.930   11.400   93.593   8.3057 -30.66316 14.10496 
1 1 1  -36   14   24 o   77.515   6.7380   42.339   6.9896   34.048   9.3768   52.707   10.485   68.861   10.048   86.168   8.9796 -17.30650 13.47600 
1 1 1  -36   14   25 o   72.338   7.1239   37.657   6.9544   38.394   9.4829   36.800   10.229   73.315   9.5448   71.360   10.578 1.955482 14.24785 
1 1 1  -36   14   26 o   36.638   9.2869   9.0815   5.8813   7.6179   8.2672   10.581   8.3684   34.833   13.018   38.442   13.249 -3.609474 18.57382 
1 1 1  -36   14   27 o   60.501   9.6157   32.060   8.0384   13.934   13.534   41.939   9.9917   44.440   16.646   76.561   9.6305 -32.12070 19.23131 
1 1 1  -36   14   28 o   38.857   9.4492   5.7818   6.7434   21.844   11.225  -3.2879   8.4350   52.395   15.028   25.318   11.458 27.07650 18.89832 
1 1 1  -36   14   29 o   81.059   9.2458   54.341   9.0078   31.528   13.901   70.852   11.826   62.173   16.300   99.944   8.7320 -37.77092 18.49163 
1 1 1  -36   14   30 o   46.671   8.2242   15.295   6.3596   29.288   9.0574   1.6890   8.9316   63.603   10.509   29.739   12.654 33.86345 16.44849 
1 1 1  -36   14   31 o   62.666   8.4124   29.750   6.8980   17.237   9.4641   43.930   10.075   46.993   13.893   78.339   9.4904 -31.34532 16.82478 
1 1 1  -36   14   32 o   54.411   15.768   23.988   12.300   23.988   12.300   0.0000   0.0000   54.411   15.768  ?   ?       ?      ? 
1 1 1  -36   14   33 o   59.012   9.4189   29.208   7.7352   14.861   12.162   38.954   10.024   44.551   15.922   73.473   10.067 -28.92269 18.83787 
1 1 1  -36   14   34 o   46.405   10.398   16.295   7.1774   20.096   11.665   13.980   9.1051   50.051   15.555   42.759   13.801 7.292057 20.79507 
1 1 1  -36   14   35 o   79.137   9.0504   50.108   8.8665   35.075   13.615   61.178   11.683   65.860   15.512   92.414   9.3293 -26.55485 18.10088 
1 1 1  -36   14   36 o   47.917   9.5787   18.713   7.4466   5.0872   11.768   27.812   9.6168   35.523   14.782   60.310   12.186 -24.78664 19.15748 
1 1 1  -36   14   37 o   51.664   10.540   20.715   7.6260   25.560   12.400   17.768   9.6712   55.895   15.715   47.432   14.049 8.462891 21.07942 
1 1 1  -36   14   38 o   30.162   9.2400   1.1604   6.7543  -0.5362   11.441   2.0681   8.3681   31.167   13.775   29.157   12.320 2.009909 18.48007 
1 1 1  -36   14   39 o   45.733   10.545   16.672   7.5322   13.736   12.185   18.487   9.5822   43.177   15.866   48.290   13.895 -5.113148 21.09033 
1 1 1  -36   14   40 o   44.250   14.194   15.318   9.6423   0.0000   0.0000   15.318   9.6423  ?   ?    44.250   14.194      ?      ? 
1 1 1  -36   14   41 o   75.729   9.1782   43.458   9.0903   47.066   14.215   40.962   11.824   77.285   14.092   74.174   11.764 3.110985 18.35636 
1 1 1  -36   14   42 o   91.032   8.4421   63.358   10.092   52.111   15.184   72.260   13.508   82.344   13.607   99.721   9.9962 -17.37615 16.88424 
1 1 1  -36   14   43 o   96.406   9.4930   76.461   10.774   40.674   15.608  109.041   14.892   69.509   16.764  123.304   8.9124 -53.79586 18.98609 
1 1 1  -36   14   44 o   67.039   9.7815   37.676   8.8584   19.592   13.014   53.290   12.092   48.818   16.528   85.260   10.466 -36.44254 19.56300 
1 1 1  -36   14   45 o   40.205   15.419   11.129   11.776   11.129   11.776   0.0000   0.0000   40.205   15.419  ?   ?       ?      ? 
1 1 1  -36   14   46 o   60.653   16.074   30.948   13.425   30.948   13.425   0.0000   0.0000   60.653   16.074  ?   ?       ?      ? 
1 1 1  -36   14   47 o   76.081   9.8295   47.251   9.6084   30.730   13.828   62.672   13.361   60.045   16.490   92.116   10.703 -32.07105 19.65895 
1 1 1  -36   14   48 o   81.897   10.087   56.096   10.374   33.797   15.139   75.838   14.244   62.266   17.314  101.528   10.353 -39.26234 20.17316 
1 1 1  -36   14   49 o   28.455   9.0871  -2.4839   7.4472  -6.0662   11.745  -0.0751   9.6308   28.067   13.002   28.843   12.698 -0.7759266 18.17412 
1 1 1  -36   14   50 o   45.572   11.081   16.245   8.2026   21.549   12.934   12.676   10.609   50.281   16.464   40.862   14.836 9.418648 22.16236 
1 1 1  -36   14   51 o   44.756   11.066   16.176   8.1977   17.209   12.638   15.425   10.771   45.759   16.244   43.754   15.034 2.004166 22.13299 
1 1 1  -36   14   52 o   53.235   10.962   24.466   8.7394   16.983   12.863   30.882   11.911   45.420   16.359   61.050   14.595 -15.63026 21.92339 
1 1 1  -36   14   53 f   77.186   10.186   47.088   10.333   58.312   16.206   39.400   13.412   85.499   13.987   68.874   14.810 16.62428 20.37110 
1 1 1  -36   14   54 o   59.262   15.433   30.080   12.516   0.0000   0.0000   30.080   12.516  ?   ?    59.262   15.433      ?      ? 
1 1 1  -36   14   55 o   42.148   11.062   14.089   8.6232   9.4822   12.821   17.893   11.652   38.428   15.650   45.868   15.639 -7.439945 22.12487 
1 1 1  -36   14   56 o   28.729   9.2938  -3.2384   8.0302  -1.9907   12.247  -4.1795   10.636   30.270   13.742   27.189   12.516 3.081604 18.58766 
1 1 1  -36   14   57 o   68.755   11.480   42.107   10.517   39.140   15.688   44.529   14.174   65.112   17.433   72.398   14.943 -7.286736 22.96083 
1 1 1  -36   14   58 o   70.119   10.771   44.106   10.545   24.512   15.092   62.792   14.739   50.846   17.777   89.393   12.167 -38.54780 21.54193 
1 1 1  -36   14   59 o   27.803   13.000  -6.0813   12.173  -6.0813   12.173   0.0000   0.0000   27.803   13.000  ?   ?       ?      ? 
1 1 1  -36   14   60 o   38.788   11.149   11.011   9.2615   8.1199   13.512   13.572   12.719   36.870   15.621   40.706   15.911 -3.835995 22.29767 
1 1 1  -36   14   61 o   50.046   11.930   23.938   10.014   16.147   14.257   31.524   14.068   42.764   16.807   57.329   16.935 -14.56524 23.85971 
1 1 1  -36   14   62 o   86.493   10.769   67.108   11.873   35.212   16.280  103.355   17.355   58.320   18.416  114.666   11.169 -56.34542 21.53772 
1 1 1  -36   14   63 o   48.542   11.904   23.444   9.8764   17.374   14.407   28.825   13.565   43.009   16.898   54.075   16.770 -11.06597 23.80702 
1 1 1  -36   14   64 o   37.787   11.047   10.415   9.4067   17.052   13.704   4.5015   12.935   42.377   16.529   33.196   14.660 9.180626 22.09393 
1 1 1  -36   14   65 o   31.726   10.004   3.1171   8.7238   4.4244   12.589   1.9095   12.100   32.647   14.438   30.805   13.852 1.841412 20.00832 
1 1 1  -36   14   66 o   37.737   15.535   12.277   12.803   0.0000   0.0000   12.277   12.803  ?   ?    37.737   15.535      ?      ? 
1 1 1  -36   14   67 o   35.394   15.154   9.4809   12.953   0.0000   0.0000   9.4809   12.953  ?   ?    35.394   15.154      ?      ? 
1 1 1  -36   15   23 o   41.577   15.181   12.558   11.130   12.558   11.130   0.0000   0.0000   41.577   15.181  ?   ?       ?      ? 
1 1 1  -36   15   24 o   38.357   9.8030   10.387   6.7440   5.4030   10.844   13.530   8.6122   34.769   14.303   41.946   13.410 -7.177689 19.60603 
1 1 1  -36   15   25 o   81.315   9.2663   56.379   9.0191   23.563   13.214   85.001   12.341   53.248   16.557  109.382   8.3256 -56.13396 18.53254 
1 1 1  -36   15   26 o   52.860   13.388   22.061   9.6006   0.0000   0.0000   22.061   9.6006  ?   ?    52.860   13.388      ?      ? 
1 1 1  -36   15   27 o  112.174   7.3519   94.706   10.697   68.514   15.652  117.658   14.652   95.749   12.063  128.598   8.4077 -32.84966 14.70383 
1 1 1  -36   15   28 o   35.690   9.6582   8.0243   6.5713   4.5044   10.759   10.119   8.2993   33.904   14.123   37.475   13.178 -3.571526 19.31638 
1 1 1  -36   15   29 o   58.071   9.3838   28.237   7.5532   16.004   11.844   36.622   9.8060   45.222   15.752   70.919   10.203 -25.69715 18.76767 
1 1 1  -36   15   30 o   84.138   8.5994   55.479   9.0618   42.642   13.831   65.133   11.995   73.159   14.464   95.116   9.3057 -21.95638 17.19879 
1 1 1  -36   15   31 o   95.376   11.689   67.768   15.108   67.768   15.108   0.0000   0.0000   95.376   11.689  ?   ?       ?      ? 
1 1 1  -36   15   32 o   37.867   10.123   9.5211   7.0138   10.503   11.029   8.8542   9.0880   39.319   14.960   36.415   13.641 2.903477 20.24514 
1 1 1  -36   15   33 o   40.820   10.256   12.498   7.1945   9.4663   11.320   14.552   9.3183   38.504   15.022   43.135   13.966 -4.631104 20.51110 
1 1 1  -36   15   34 o   40.522   9.8662   12.131   7.1088   4.0991   11.023   17.850   9.3015   33.730   14.190   47.313   13.712 -13.58262 19.73249 
1 1 1  -36   15   35 f   67.494   9.8499   36.144   8.5664   36.699   13.536   35.773   11.064   66.948   15.260   68.040   12.458 -1.092163 19.69974 
1 1 1  -36   15   36 o   44.842   10.736   16.006   7.7035   14.976   12.325   16.666   9.8685   44.047   15.991   45.638   14.328 -1.591389 21.47128 
1 1 1  -36   15   37 o   51.360   10.707   20.649   7.9214   28.422   12.656   15.642   10.157   58.358   15.672   44.362   14.593 13.99632 21.41408 
1 1 1  -36   15   38 o   73.442   9.5562   43.851   8.9277   34.350   13.893   50.535   11.652   63.935   16.057   82.948   10.366 -19.01336 19.11248 
1 1 1  -36   15   39 o   49.708   13.682   19.890   9.5069   0.0000   0.0000   19.890   9.5069  ?   ?    49.708   13.682      ?      ? 
1 1 1  -36   15   40 o   34.970   9.6755   7.0334   7.0175  -0.5282   11.617   11.378   8.8057   31.016   13.785   38.925   13.580 -7.909180 19.35100 
1 1 1  -36   15   41 o   56.847   10.661   27.232   8.3366   24.277   13.117   29.234   10.798   53.261   16.486   60.432   13.523 -7.171562 21.32263 
1 1 1  -36   15   42 o   75.075   9.4672   45.308   9.1236   38.136   13.969   50.643   12.048   67.565   15.576   82.585   10.766 -15.01994 18.93446 
1 1 1  -36   15   43 o   42.877   10.814   14.550   7.9829   11.863   12.461   16.420   10.396   40.807   15.805   44.946   14.763 -4.139248 21.62723 
1 1 1  -36   15   44 o   48.182   16.501   19.661   12.973   19.661   12.973   0.0000   0.0000   48.182   16.501  ?   ?       ?      ? 
1 1 1  -36   15   45 o   30.596   13.655  -0.6671   11.523  -0.6671   11.523   0.0000   0.0000   30.596   13.655  ?   ?       ?      ? 
1 1 1  -36   15   46 o   44.847   10.957   16.149   8.2106   21.227   12.088   11.800   11.187   49.771   15.885   39.923   15.096 9.848072 21.91396 
1 1 1  -36   15   47 o   38.075   9.7028   7.3922   8.0814 -10.9265   12.460   20.693   10.617   26.555   12.636   49.594   14.728 -23.03927 19.40565 
1 1 1  -36   15   48 o   62.929   10.247   34.672   9.5047   15.746   13.918   51.210   13.011   44.083   16.797   81.775   11.741 -37.69244 20.49392 
1 1 1  -36   15   49 o   31.030   9.3190  -1.0195   7.8836 -16.1148   11.949   10.616   10.491   23.895   11.618   38.166   14.573 -14.27083 18.63792 
1 1 1  -36   15   50 o   42.574   10.105   12.804   8.4305  -3.4086   12.525   26.233   11.399   29.828   13.676   55.320   14.881 -25.49201 20.21077 
1 1 1  -36   15   51 o   28.456   9.1760  -2.8427   7.8713  -6.4273   12.014  -0.1465   10.419   27.685   12.935   29.227   13.019 -1.541656 18.35196 
1 1 1  -36   15   52 o   56.077   15.430   27.713   12.094   0.0000   0.0000   27.713   12.094  ?   ?    56.077   15.430      ?      ? 
1 1 1  -36   15   53 o   36.877   14.798   9.3589   11.275   0.0000   0.0000   9.3589   11.275  ?   ?    36.877   14.798      ?      ? 
1 1 1  -36   15   54 o   40.934   10.431   12.324   8.5744  -0.9569   12.721   23.380   11.607   30.867   14.010   51.000   15.457 -20.13236 20.86140 
1 1 1  -36   15   55 o   30.374   9.6265  -0.6777   8.2609   5.2041   12.255  -5.5758   11.183   34.016   14.655   26.733   12.486 7.282778 19.25292 
1 1 1  -36   15   56 o   74.231   10.694   48.728   10.367   46.012   15.151   51.119   14.217   71.020   16.112   77.442   14.065 -6.421684 21.38791 
1 1 1  -36   15   57 o   78.263   11.443   56.164   11.722   56.761   16.188   55.506   16.997   79.493   15.584   77.033   16.759 2.459961 22.88517 
1 1 1  -36   15   58 o   25.535   12.229  -9.9878   12.069  -9.9878   12.069   0.0000   0.0000   25.535   12.229  ?   ?       ?      ? 
1 1 1  -36   15   59 o   49.921   11.864   25.255   9.8607   18.400   14.361   31.369   13.563   43.481   16.932   56.361   16.623 -12.87984 23.72761 
1 1 1  -36   15   60 o   66.358   10.606   42.049   10.487   19.820   14.655   65.379   15.013   44.159   17.129   88.557   12.510 -44.39830 21.21142 
1 1 1  -36   15   61 o   67.887   11.802   45.313   10.815   54.054   16.120   38.159   14.584   74.655   16.384   61.120   16.993 13.53531 23.60494 
1 1 1  -36   15   62 o   46.655   11.376   20.498   9.7138   36.715   14.545   7.4424   13.051   59.032   17.158   34.278   14.943 24.75399 22.75296 
1 1 1  -36   15   63 o   32.153   10.100   4.0720   8.9081   10.177   13.060  -1.2390   12.182   35.714   15.251   28.593   13.245 7.121469 20.19953 
1 1 1  -36   16   31 o   41.352   10.540   12.975   7.4697   14.530   11.593   11.871   9.7673   43.017   15.526   39.687   14.260 3.330322 21.08056 
1 1 1  -36   16   32 o   48.252   10.749   19.497   7.8402   17.885   12.290   20.603   10.181   46.469   16.053   50.035   14.300 -3.566063 21.49886 
1 1 1  -36   16   33 o   62.920   10.181   31.976   8.4325   36.819   12.961   28.421   11.104   66.872   14.703   58.968   14.088 7.904278 20.36298 
1 1 1  -36   16   34 o   39.161   10.500   10.937   7.5790   11.947   11.794   10.227   9.8919   40.451   15.451   37.871   14.222 2.579380 20.99993 
1 1 1  -36   16   35 o   47.428   10.745   18.910   8.2150   11.922   12.259   24.605   11.067   40.576   15.687   54.280   14.689 -13.70475 21.49056 
1 1 1  -36   16   36 o   86.758   9.7128   62.353   10.427   39.364   15.082   83.400   14.431   67.243   16.641  106.274   10.021 -39.03050 19.42559 
1 1 1  -36   16   37 o   42.118   10.430   13.060   8.3028   1.5728   12.394   22.413   11.183   32.795   14.422   51.441   15.072 -18.64542 20.86047 
1 1 1  -36   16   38 o   28.182   12.651  -1.4862   10.045   0.0000   0.0000  -1.4862   10.045  ?   ?    28.182   12.651      ?      ? 
1 1 1  -36   16   39 o   45.070   11.154   16.699   8.4234   20.538   12.534   13.536   11.375   48.654   16.221   41.485   15.316 7.169197 22.30874 
1 1 1  -36   16   40 o  102.620   9.5178   87.623   11.459   47.272   16.292  127.136   16.122   73.308   16.764  131.932   9.0174 -58.62401 19.03551 
1 1 1  -36   16   41 o   35.710   10.257   7.2684   8.0028   1.8255   12.264   11.305   10.561   32.579   14.336   38.841   14.672 -6.261726 20.51345 
1 1 1  -36   16   42 o   48.367   11.161   20.568   8.5277   17.138   12.721   23.367   11.492   44.863   16.253   51.871   15.302 -7.008175 22.32248 
1 1 1  -36   16   43 o   43.932   16.023   16.320   12.395   16.320   12.395   0.0000   0.0000   43.932   16.023  ?   ?       ?      ? 
1 1 1  -36   16   44 o   43.022   10.989   15.432   8.4955   10.063   12.553   19.970   11.539   38.345   15.534   47.699   15.548 -9.353931 21.97811 
1 1 1  -36   16   45 o   37.457   10.654   9.6344   8.3052   8.2249   12.115   10.884   11.408   36.536   15.084   38.377   15.050 -1.840752 21.30776 
1 1 1  -36   16   46 o   40.554   10.780   12.437   8.4900   5.0814   11.986   19.843   12.027   34.026   14.573   47.081   15.889 -13.05573 21.56001 
1 1 1  -36   16   47 o   46.360   11.026   18.819   8.8211   9.7436   12.703   27.269   12.259   37.759   15.500   54.960   15.686 -17.20099 22.05245 
1 1 1  -36   16   48 o   44.678   11.448   17.331   9.0158   23.514   13.538   12.404   12.086   49.836   16.858   39.520   15.493 10.31599 22.89567 
1 1 1  -36   16   49 o   68.558   10.133   43.527   10.296   15.105   14.768   70.412   14.363   42.099   16.920   95.017   11.155 -52.91805 20.26652 
1 1 1  -36   16   50 f   35.324   9.6696   3.8557   8.3937 -16.5032   12.682   19.726   11.197   24.164   11.798   46.483   15.324 -22.31835 19.33912 
1 1 1  -36   16   51 o   35.770   14.772   8.7448   11.625   0.0000   0.0000   8.7448   11.625  ?   ?    35.770   14.772      ?      ? 
1 1 1  -36   16   52 o   44.706   11.596   18.349   9.2057   24.989   14.167   13.497   12.111   49.744   17.233   39.668   15.520 10.07683 23.19190 
1 1 1  -36   16   53 o   70.879   10.744   48.500   10.826   24.577   15.556   70.965   15.075   48.267   17.892   93.491   11.899 -45.22461 21.48756 
1 1 1  -36   16   54 o   41.965   11.499   16.817   9.4199   14.149   14.258   18.883   12.549   39.937   16.411   43.993   16.111 -4.055672 22.99739 
1 1 1  -36   16   55 o   43.611   11.390   18.903   9.4276   11.222   14.349   24.738   12.505   37.639   16.028   49.583   16.187 -11.94452 22.77922 
1 1 1  -36   16   56 o   24.335   11.849 -13.5777   12.553 -13.5777   12.553   0.0000   0.0000   24.335   11.849  ?   ?       ?      ? 
1 1 1  -36   16   57 o   69.438   11.766   48.641   10.918   47.891   16.007   49.294   14.930   67.707   17.363   71.169   15.883 -3.461807 23.53215 
1 1 1  -36   17   39 o   52.109   11.426   24.711   8.8086   29.096   13.735   21.647   11.481   55.364   16.821   48.855   15.469 6.508427 22.85270 
1 1 1  -36   17   40 o   31.694   9.7704   0.3737   8.0371   10.845   12.609  -6.7920   10.431   38.228   15.539   25.159   11.848 13.06959 19.54079 
1 1 1  -36   17   41 o   46.376   11.058   19.488   9.0007   9.3742   13.140   28.428   12.354   37.222   15.565   55.530   15.712 -18.30796 22.11640 
1 1 1  -36   17   42 o   41.992   16.170   15.661   12.986   15.661   12.986   0.0000   0.0000   41.992   16.170  ?   ?       ?      ? 
1 1 1  -36   17   43 o   43.362   11.346   16.966   8.8084   21.026   13.363   13.847   11.713   46.613   16.686   40.111   15.379 6.502327 22.69278 
1 1 1  -36   17   44 o   47.497   10.656   20.797   8.9981   6.2831   13.350   32.879   12.181   34.819   15.147   60.175   14.992 -25.35626 21.31219 
1 1 1  -36   17   45 o   30.268   9.5294   1.5353   7.9991  -2.6634   12.078   4.8159   10.676   28.654   13.243   31.881   13.706 -3.227531 19.05885 
1 1 1  -36   17   46 o   70.917   10.598   47.032   10.074   33.727   14.800   58.516   13.751   57.192   17.480   84.641   11.988 -27.44953 21.19616 
1 1 1  -36   17   47 o   32.824   9.9166   5.1251   8.2675  -3.1601   12.701   11.216   10.891   28.771   13.394   36.876   14.627 -8.105236 19.83326 
1 1 1  -36   17   48 o   46.830   11.740   22.476   9.2756   23.384   14.227   21.805   12.233   47.001   17.163   46.658   16.022 0.3438759 23.47919 
1 1 1  -36   17   49 o   23.598   11.318  -8.8568   10.424   0.0000   0.0000  -8.8568   10.424  ?   ?    23.598   11.318      ?      ? 
1 1 1  -36   17   50 o   42.930   15.906   18.694   12.292   0.0000   0.0000   18.694   12.292  ?   ?    42.930   15.906      ?      ? 
1 1 1  -36   17   51 o   40.933   11.198   15.140   9.0766   26.267   14.100   7.2662   11.861   48.552   17.166   33.314   14.385 15.23801 22.39594 
1 1 1  -35    0    1 o  335.877   7.3753  767.334   33.533   0.0000   0.0000  767.334   33.533  335.877   7.3753  335.877   7.3753 -0.000000 0.000000 
1 1 1  -35    0    2 o  276.315   6.8657  519.348   25.672   0.0000   0.0000  519.348   25.672  276.315   6.8657  276.315   6.8657 -0.000000 0.000000 
1 1 1  -35    0    3 o  100.615   7.5925   69.925   10.217   0.0000   0.0000   69.925   10.217  100.615   7.5925  100.615   7.5925 -0.000000 0.000000 
1 1 1  -35    0    4 o  182.584   6.5282  227.156   16.106   0.0000   0.0000  227.156   16.106  182.584   6.5282  182.584   6.5282 -0.000000 0.000000 
1 1 1  -35    0    5 o  197.000   6.5711  264.314   17.498   0.0000   0.0000  264.314   17.498  197.000   6.5711  197.000   6.5711 -0.000000 0.000000 
1 1 1  -35    0    7 o   60.229   11.840   27.359   8.5990   0.0000   0.0000   27.359   8.5990   60.229   11.840   60.229   11.840 -0.000000 0.000000 
1 1 1  -35    0    8 o   66.806   11.064   32.750   9.1904   0.0000   0.0000   32.750   9.1904   66.806   11.064   66.806   11.064 -0.000000 0.000000 
1 1 1  -35    0   11 o  241.143   9.5190  397.292   30.996   0.0000   0.0000  397.292   30.996  241.143   9.5190  241.143   9.5190 -0.000000 0.000000 
1 1 1  -35    0   12 o   89.528   12.356   57.634   14.177   0.0000   0.0000   57.634   14.177   89.528   12.356   89.528   12.356 -0.000000 0.000000 
1 1 1  -35    0   13 o   48.670   19.110   22.266   12.081   0.0000   0.0000   22.266   12.081   48.670   19.110   48.670   19.110 -0.000000 0.000000 
1 1 1  -35    0   14 o  194.022   6.8833  256.514   18.046   0.0000   0.0000  256.514   18.046  194.022   6.8833  194.022   6.8833 -0.000000 0.000000 
1 1 1  -35    0   15 o  234.049   6.8909  372.837   21.813   0.0000   0.0000  372.837   21.813  234.049   6.8909  234.049   6.8909 -0.000000 0.000000 
1 1 1  -35    0   16 o  205.911   6.5740  290.123   18.240  306.189   25.899  274.313   25.693  211.651   9.0679  200.172   9.5207 -0.000000 0.000000 
1 1 1  -35    0   17 o   54.263   12.423   26.198   8.4840   33.255   11.844   18.761   12.158   64.982   15.501   43.543   19.417 -0.000000 0.000000 
1 1 1  -35    0   18 o   48.302   11.416   20.872   8.2424   34.437   11.682   7.4223   11.632   66.710   14.780   29.893   17.401 -0.000000 0.000000 
1 1 1  -35    0   19 o  206.932   6.6345  292.123   18.450  328.029   26.819  259.861   25.422  219.109   9.0677  194.755   9.6872 -0.000000 0.000000 
1 1 1  -35    0   20 o  233.357   6.7381  372.157   21.227  371.779   30.078  372.532   29.961  233.233   9.5529  233.480   9.5054 -0.000000 0.000000 
1 1 1  -35    0   21 o  184.303   6.6982  232.798   16.619  223.275   23.382  242.522   23.627  180.430   9.6255  188.176   9.3174 -0.000000 0.000000 
1 1 1  -35    0   22 o   51.307   19.669   24.505   12.921   24.505   12.921   0.0000   0.0000   51.307   19.669   51.307   19.669 -0.000000 0.000000 
1 1 1  -35    0   23 o  108.642   11.354   82.963   16.299   82.963   16.299   0.0000   0.0000  108.642   11.354  108.642   11.354 -0.000000 0.000000 
1 1 1  -35    0   24 o  264.462   9.8964  477.763   35.354  477.763   35.354   0.0000   0.0000  264.462   9.8964  264.462   9.8964 -0.000000 0.000000 
1 1 1  -35    0   25 o  261.752   6.9869  466.586   24.657  506.964   35.948  430.715   33.883  272.482   9.7639  251.021   9.9967 -0.000000 0.000000 
1 1 1  -35    0   26 o  120.679   7.8986  100.326   12.354  129.745   18.615   77.167   16.515  136.979   10.156  104.379   12.100 -0.000000 0.000000 
1 1 1  -35    0   27 o   91.641   9.2781   60.653   10.782   60.723   15.971   60.594   14.616   91.375   13.837   91.907   12.364 -0.000000 0.000000 
1 1 1  -35    0   28 o   41.102   13.417   16.807   8.8411   10.428   13.090   22.158   11.989   33.635   18.920   48.569   19.030 -0.000000 0.000000 
1 1 1  -35    0   29 o   70.916   11.819   40.527   9.7695   31.570   14.088   48.824   13.560   60.271   19.513   81.561   13.340 -0.000000 0.000000 
1 1 1  -35    0   30 o  199.333   6.8387  272.371   18.357  260.248   26.021  284.382   25.901  194.829   9.9142  203.838   9.4224 -0.000000 0.000000 
1 1 1  -35    0   31 o  191.583   6.8642  251.863   17.692  238.069   25.087  265.510   24.953  186.251   10.006  196.916   9.3999 -0.000000 0.000000 
1 1 1  -35    0   32 o   96.906   8.9293   67.200   11.152   67.163   16.240   67.233   15.341   96.699   13.065   97.114   12.175 -0.000000 0.000000 
1 1 1  -35    0   33 o  289.665   7.2668  573.228   28.437  575.624   40.700  570.942   39.747  290.235   10.378  289.095   10.174 -0.000000 0.000000 
1 1 1  -35    0   34 o  354.682   7.8256  859.336   37.523  866.420   53.672  852.562   52.480  356.094   11.147  353.269   10.986 -0.000000 0.000000 
1 1 1  -35    0   35 o   71.743   12.376   41.808   10.356   34.265   15.188   48.360   14.156   62.817   20.213   80.670   14.286 -0.000000 0.000000 
1 1 1  -35    0   36 o  181.906   7.0664  227.159   17.273  228.671   25.156  225.810   23.759  182.420   10.250  181.391   9.7296 -0.000000 0.000000 
1 1 1  -35    0   37 o  414.993   8.4740  1177.27   47.551  1189.56   68.241  1165.67   66.295  417.067   12.097  412.919   11.870 -0.000000 0.000000 
1 1 1  -35    0   38 o  289.188   10.238  571.576   40.008   0.0000   0.0000  571.576   40.008  289.188   10.238  289.188   10.238 -0.000000 0.000000 
1 1 1  -35    0   39 o  174.791   9.8955  209.960   23.267   0.0000   0.0000  209.960   23.267  174.791   9.8955  174.791   9.8955 -0.000000 0.000000 
1 1 1  -35    0   40 o  302.242   7.4567  624.806   30.441  601.867   43.039  647.768   43.061  296.619   10.739  307.866   10.348 -0.000000 0.000000 
1 1 1  -35    0   41 o  293.297   7.4092  588.437   29.338  558.294   41.302  619.136   41.681  285.626   10.705  300.968   10.247 -0.000000 0.000000 
1 1 1  -35    0   42 o  172.152   7.3110  204.989   16.823  184.986   24.063  224.114   23.529  163.640   10.964  180.663   9.6740 -0.000000 0.000000 
1 1 1  -35    0   43 o  124.466   8.1251  107.888   13.404  117.224   19.687   99.818   18.302  129.615   11.412  119.317   11.569 -0.000000 0.000000 
1 1 1  -35    0   44 o  164.985   7.3325  187.698   16.195  187.555   23.832  187.821   22.076  164.811   10.777  165.159   9.9462 -0.000000 0.000000 
1 1 1  -35    0   45 o  203.128   10.480  283.535   28.673  283.535   28.673   0.0000   0.0000  203.128   10.480  203.128   10.480 -0.000000 0.000000 
1 1 1  -35    0   46 o  243.385   10.465  406.173   34.369  406.173   34.369   0.0000   0.0000  243.385   10.465  243.385   10.465 -0.000000 0.000000 
1 1 1  -35    0   47 o  185.845   7.2254  236.855   18.035  249.741   26.548  225.811   24.577  190.528   10.352  181.162   10.083 -0.000000 0.000000 
1 1 1  -35    0   48 o   95.108   9.9378   65.943   11.926   64.761   17.499   66.968   16.298   93.873   14.874   96.344   13.183 -0.000000 0.000000 
1 1 1  -35    0   49 o  202.632   7.2680  282.977   19.789  267.181   28.415  297.855   27.577  196.958   10.719  208.307   9.8189 -0.000000 0.000000 
1 1 1  -35    0   50 o  137.788   7.9847  131.669   14.610  138.943   21.959  125.891   19.570  141.121   11.666  134.454   10.906 -0.000000 0.000000 
1 1 1  -35    0   51 o  188.814   7.4055  245.075   18.712  251.746   28.116  239.770   25.072  190.987   10.945  186.640   9.9781 -0.000000 0.000000 
1 1 1  -35    0   52 o  178.573   7.4851  216.919   17.829  252.507   27.205  190.123   23.606  191.357   10.565  165.789   10.607 -0.000000 0.000000 
1 1 1  -35    0   53 o  169.205   7.4900  197.041   16.929  207.156   25.526  189.099   22.619  172.973   10.992  165.436   10.178 -0.000000 0.000000 
1 1 1  -35    0   54 o  283.259   7.4793  550.519   28.567  561.782   41.839  540.681   39.101  285.885   10.835  280.632   10.313 -0.000000 0.000000 
1 1 1  -35    0   55 o  167.361   7.6438  195.771   17.005  176.423   24.879  212.737   23.296  159.124   11.682  175.597   9.8610 -0.000000 0.000000 
1 1 1  -35    0   56 o  369.697   8.2538  939.910   41.179  959.266   60.374  923.072   56.309  373.111   11.969  366.283   11.369 -0.000000 0.000000 
1 1 1  -35    0   57 f   83.237   14.914   52.111   15.215   0.0000   0.0000   52.111   15.215   83.237   14.914   83.237   14.914 -0.000000 0.000000 
1 1 1  -35    0   58 o  134.697   8.5262  129.589   14.870  118.184   23.066  137.700   19.451  128.759   13.564  140.634   10.335 -0.000000 0.000000 
1 1 1  -35    0   59 o  377.834   8.3251  984.323   42.465  1008.64   62.110  962.976   58.190  382.072   12.023  373.596   11.519 -0.000000 0.000000 
1 1 1  -35    0   60 f  211.748   7.4886  311.870   21.183  295.799   31.558  325.049   28.577  206.389   11.362  217.107   9.7581 -0.000000 0.000000 
1 1 1  -35    0   61 o  184.912   7.5420  239.018   18.602  220.045   27.312  255.434   25.405  177.611   11.457  192.212   9.8116 -0.000000 0.000000 
1 1 1  -35    0   62 o   56.943   13.932   31.998   10.707   19.887   17.020   39.930   13.774   43.179   22.425   70.706   16.539 -0.000000 0.000000 
1 1 1  -35    0   63 o   91.568   16.749   64.151   18.728   64.151   18.728   0.0000   0.0000   91.568   16.749   91.568   16.749 -0.000000 0.000000 
1 1 1  -35    0   64 o  127.024   8.9102  117.963   14.342   90.107   20.777  143.317   19.822  110.914   14.511  143.134   10.344 -0.000000 0.000000 
1 1 1  -35    0   65 o  112.273   9.0595   91.386   13.006   88.451   20.266   93.442   16.960  109.866   14.277  114.679   11.156 -0.000000 0.000000 
1 1 1  -35    0   66 o   95.924   10.002   68.398   11.862   67.524   18.557   69.002   15.425   94.339   15.863   97.510   12.189 -0.000000 0.000000 
1 1 1  -35    0   67 o  103.473   9.0677   77.029   12.058   84.300   18.758   71.909   15.741  107.384   13.464   99.562   12.150 -0.000000 0.000000 
1 1 1  -35    0   68 o   28.529   12.386   5.7098   8.9601   5.1813   15.054   5.9998   11.150   29.548   18.437   27.510   16.544 -0.000000 0.000000 
1 1 1  -35    0   69 o   58.575   14.187   31.025   9.9189   36.161   16.029   27.837   12.627   62.293   21.183   54.857   18.879 -0.000000 0.000000 
1 1 1  -35    0   70 o  116.910   8.3858   97.228   12.798  105.512   20.086   91.567   16.606  120.729   12.591  113.091   11.080 -0.000000 0.000000 
1 1 1  -35    0   71 o   86.443   11.212   59.743   11.147   50.357   17.405   66.270   14.514   77.580   19.122   95.306   11.712 -0.000000 0.000000 
1 1 1  -35    0   72 o  227.895   9.8445  363.065   30.273   0.0000   0.0000  363.065   30.273  227.895   9.8445  227.895   9.8445 -0.000000 0.000000 
1 1 1  -35    0   73 o  137.991   10.204  134.895   18.841   0.0000   0.0000  134.895   18.841  137.991   10.204  137.991   10.204 -0.000000 0.000000 
1 1 1  -35    0   74 o   58.742   17.455   30.433   12.091   0.0000   0.0000   30.433   12.091   58.742   17.455   58.742   17.455 -0.000000 0.000000 
1 1 1  -35    0   75 o   82.284   12.981   51.278   13.397   0.0000   0.0000   51.278   13.397   82.284   12.981   82.284   12.981 -0.000000 0.000000 
1 1 1  -35    0   76 o   69.574   15.192   39.051   12.545   0.0000   0.0000   39.051   12.545   69.574   15.192   69.574   15.192 -0.000000 0.000000 
1 1 1  -35    1    1 o  268.413   5.8637  490.324   20.054  493.603   34.956  488.716   24.484  268.803   9.5964  268.023   6.7409 0.7798462 11.72739 
1 1 1  -35    1    2 o  331.756   6.3556  750.604   26.870  752.387   46.769  749.725   32.829  331.650   10.406  331.861   7.2999 -0.2109680 12.71129 
1 1 1  -35    1    3 o  203.918   5.6303  284.379   14.602  280.169   25.406  286.457   17.844  202.590   9.2543  205.246   6.4155 -2.655960 11.26054 
1 1 1  -35    1    4 o  208.016   5.6661  292.324   14.918  301.777   26.505  287.942   18.048  210.258   9.3022  205.775   6.4722 4.482773 11.33229 
1 1 1  -35    1    5 o  250.642   6.6808  427.279   22.692   0.0000   0.0000  427.279   22.692  ?   ?   250.642   6.6808      ?      ? 
1 1 1  -35    1    6 o  269.612   4.8793  494.613   17.823  488.318   25.366  500.752   25.048  267.904   6.9871  271.321   6.8125 -3.416992 9.758555 
1 1 1  -35    1    7 o  134.405   4.8990  122.735   8.9123  131.454   12.837  114.623   12.383  139.016   6.8144  129.795   7.0401 9.220917 9.797919 
1 1 1  -35    1    8 o  188.940   4.7025  242.753   12.039  244.421   17.143  241.130   16.912  189.578   6.6729  188.302   6.6276 1.275833 9.404960 
1 1 1  -35    1    9 o  166.638   4.7687  188.586   10.758  200.750   15.518  177.331   14.927  171.811   6.6649  161.465   6.8222 10.34659 9.537433 
1 1 1  -35    1   10 o  116.178   5.2378   91.810   8.2425   95.831   11.808   87.990   11.511  118.662   7.3430  113.695   7.4714 4.967140 10.47569 
1 1 1  -35    1   11 o  261.782   4.8956  466.133   17.367  469.248   24.701  463.087   24.421  262.644   6.9401  260.919   6.9068 1.724792 9.791281 
1 1 1  -35    1   12 o  275.965   4.9718  518.038   18.589  503.994   26.143  532.399   26.438  272.174   7.0882  279.757   6.9737 -7.583099 9.943580 
1 1 1  -35    1   13 o  196.662   4.8136  262.736   12.813  281.406   18.439  245.300   17.819  203.423   6.6888  189.900   6.9241 13.52275 9.627198 
1 1 1  -35    1   14 o  124.037   7.5547  104.728   12.698  104.728   12.698   0.0000   0.0000  124.037   7.5547  ?   ?       ?      ? 
1 1 1  -35    1   15 o  153.002   5.6267  160.191   10.131  160.977   11.732  157.888   20.086  153.939   5.6240  152.066   9.7473 1.873230 11.25340 
1 1 1  -35    1   16 o  194.312   5.7572  257.295   14.507  257.523   18.070  256.883   24.331  194.584   6.8530  194.040   9.2531 0.5444489 11.51446 
1 1 1  -35    1   17 o  291.492   6.2153  584.407   23.406  596.814   29.184  562.038   39.187  296.153   7.2719  286.832   10.082 9.320862 12.43068 
1 1 1  -35    1   18 o  288.653   7.0253  566.808   27.481   0.0000   0.0000  566.808   27.481  ?   ?   288.653   7.0253      ?      ? 
1 1 1  -35    1   19 o  174.240   5.8011  211.673   12.882  191.945   21.815  222.235   15.963  167.686   9.6001  180.794   6.5153 -13.10812 11.60222 
1 1 1  -35    1   20 o  151.635   5.8281  156.934   11.326  155.773   19.447  157.530   13.933  151.073   9.4991  152.196   6.7554 -1.123215 11.65627 
1 1 1  -35    1   21 o  124.389   5.1132  105.450   8.5999   97.574   12.179  113.284   12.146  119.729   7.5062  129.050   6.9452 -9.321190 10.22633 
1 1 1  -35    1   22 o  206.930   4.7230  291.178   13.244  293.500   18.800  288.889   18.661  207.750   6.6776  206.111   6.6811 1.638992 9.446063 
1 1 1  -35    1   23 o  282.880   4.9825  544.291   19.098  554.123   27.222  534.761   26.801  285.397   7.0386  280.364   7.0541 5.032867 9.965030 
1 1 1  -35    1   24 o  276.485   4.9716  520.072   18.627  516.065   26.345  524.077   26.339  275.416   7.0588  277.555   7.0028 -2.138550 9.943156 
1 1 1  -35    1   25 o  121.737   7.5265  100.884   12.416   0.0000   0.0000  100.884   12.416  ?   ?   121.737   7.5265      ?      ? 
1 1 1  -35    1   26 o  168.546   6.0962  198.384   12.968  207.544   15.909  180.243   22.389  174.689   6.7204  162.404   10.173 12.28546 12.19238 
1 1 1  -35    1   27 o  191.640   5.9066  248.984   14.389  246.542   17.500  254.080   25.282  190.387   6.7829  192.894   9.6717 -2.507751 11.81311 
1 1 1  -35    1   28 o  117.150   5.3641   93.486   8.4944   85.087   11.910  102.183   12.119  111.771   7.8630  122.530   7.2986 -10.75919 10.72829 
1 1 1  -35    1   29 o  268.912   4.9670  492.014   18.100  493.737   25.678  490.312   25.517  269.378   7.0343  268.446   7.0144 0.9327087 9.933925 
1 1 1  -35    1   30 o  254.217   4.9249  439.668   16.965  442.917   24.145  436.500   23.843  255.142   6.9834  253.293   6.9462 1.849380 9.849730 
1 1 1  -35    1   31 o  221.276   4.8326  333.070   14.489  325.902   20.403  340.364   20.581  218.868   6.8789  223.683   6.7896 -4.815155 9.665272 
1 1 1  -35    1   32 o  210.329   4.8042  300.923   13.692  295.936   19.271  306.008   19.458  208.566   6.8183  212.092   6.7700 -3.525620 9.608422 
1 1 1  -35    1   33 o  340.741   5.3909  790.642   24.891  799.527   35.408  781.961   34.999  342.633   7.6258  338.849   7.6220 3.783783 10.78180 
1 1 1  -35    1   34 o  274.653   5.0438  512.221   18.748  549.022   27.229  479.051   25.852  284.021   7.0747  265.285   7.1910 18.73511 10.08770 
1 1 1  -35    1   35 o  177.072   5.9123  210.768   13.520  204.126   16.633  223.701   23.212  173.176   7.0878  180.968   9.4650 -7.792465 11.82468 
1 1 1  -35    1   36 o  349.192   6.7042  840.574   30.161  858.292   37.490  808.069   50.779  354.920   7.7949  343.464   10.910 11.45538 13.40831 
1 1 1  -35    1   37 o  410.961   5.9456  1151.73   33.109  1167.67   47.186  1136.27   46.468  413.760   8.4156  408.163   8.4012 5.596924 11.89126 
1 1 1  -35    1   38 o  392.458   5.8149  1049.53   30.913  1080.70   44.488  1020.44   42.985  398.080   8.2469  386.837   8.1999 11.24271 11.62974 
1 1 1  -35    1   39 o  441.015   6.1987  1327.74   37.043  1323.26   52.601  1332.16   52.176  440.257   8.8167  441.773   8.7155 -1.516083 12.39731 
1 1 1  -35    1   40 o  384.794   7.0725  1016.70   34.790  1002.71   59.910  1023.82   42.734  382.147   11.569  387.441   8.1392 -5.293152 14.14509 
1 1 1  -35    1   41 f  283.445   5.1967  547.533   19.955  535.944   28.345  558.921   28.098  280.447   7.4584  286.443   7.2385 -5.995667 10.39344 
1 1 1  -35    1   42 o  211.705   4.9849  305.266   14.291  290.043   20.085  320.875   20.338  206.339   7.1831  217.072   6.9138 -10.73334 9.969805 
1 1 1  -35    1   43 o  277.356   6.2923  508.672   21.964  571.560   40.175  481.862   26.232  288.797   10.266  265.915   7.2795 22.88168 12.58463 
1 1 1  -35    1   44 o  202.835   6.2082  281.205   15.893  281.039   28.151  281.283   19.256  202.474   10.260  203.195   6.9929 -0.7207031 12.41645 
1 1 1  -35    1   45 o  238.367   5.0632  387.321   16.349  373.700   23.066  401.072   23.175  234.134   7.2698  242.600   7.0494 -8.466858 10.12636 
1 1 1  -35    1   46 o  163.146   5.2017  180.945   11.465  202.198   16.687  161.943   15.778  172.221   7.1500  154.072   7.5570 18.14900 10.40337 
1 1 1  -35    1   47 o  264.139   6.3793  466.677   21.302  448.413   25.612  507.666   38.369  256.387   7.3717  271.892   10.414 -15.50446 12.75866 
1 1 1  -35    1   48 o  420.825   6.0977  1211.43   34.772  1196.42   48.915  1226.77   49.439  418.186   8.6316  423.464   8.6153 -5.278137 12.19542 
1 1 1  -35    1   49 o  278.913   5.2236  531.011   19.743  535.314   27.968  526.736   27.875  280.044   7.3696  277.782   7.4050 2.262573 10.44723 
1 1 1  -35    1   50 o  254.398   5.1487  441.748   17.748  434.725   24.895  449.007   25.309  252.343   7.2801  256.454   7.2826 -4.110886 10.29741 
1 1 1  -35    1   51 o  162.345   5.2815  180.217   11.575  160.545   16.205  200.712   16.540  153.230   7.8040  171.460   7.1185 -18.23015 10.56294 
1 1 1  -35    1   52 o  255.517   5.1666  446.023   17.879  425.485   25.086  467.227   25.489  249.507   7.4194  261.528   7.1922 -12.02066 10.33315 
1 1 1  -35    1   53 o  152.904   5.3038  159.770   10.979  170.090   15.752  150.022   15.310  157.727   7.3697  148.082   7.6295 9.644241 10.60760 
1 1 1  -35    1   54 o   90.299   6.7619   56.801   8.1014   43.518   11.410   70.305   11.505   79.359   10.610  101.238   8.3858 -21.87907 13.52372 
1 1 1  -35    1   55 o  126.379   6.5948  109.441   10.893  107.984   13.665  111.982   18.038  125.490   8.0358  127.269   10.459 -1.778748 13.18969 
1 1 1  -35    1   56 o  143.100   6.3808  140.096   11.988  137.476   15.121  144.528   19.671  141.578   7.8814  144.621   10.037 -3.043243 12.76161 
1 1 1  -35    1   57 o  144.011   5.6224  142.444   10.967  139.113   15.625  145.679   15.397  142.315   8.1019  145.707   7.7978 -3.392349 11.24483 
1 1 1  -35    1   58 o  263.542   6.3497  483.191   21.628  464.540   36.128  493.610   27.001  258.812   10.301  268.272   7.4273 -9.459808 12.69933 
1 1 1  -35    1   59 o  303.095   5.4527  630.981   22.390  611.044   31.382  651.653   31.955  298.190   7.7660  308.000   7.6561 -9.809967 10.90536 
1 1 1  -35    1   60 o  203.928   5.2089  285.585   14.383  270.225   20.187  301.422   20.497  198.304   7.5120  209.551   7.2181 -11.24655 10.41783 
1 1 1  -35    1   61 o  186.641   5.2269  239.457   13.219  241.557   18.830  237.416   18.562  187.440   7.4133  185.842   7.3706 1.598221 10.45387 
1 1 1  -35    1   62 o  142.418   7.2326  145.767   12.809  130.100   22.509  153.268   15.576  135.695   12.241  149.141   7.7069 -13.44637 14.46511 
1 1 1  -35    1   63 o  162.283   5.4192  181.661   11.915  176.805   16.830  186.539   16.870  160.074   7.7588  164.493   7.5678 -4.419662 10.83840 
1 1 1  -35    1   64 o   94.658   8.9546   63.588   10.337   63.220   12.219   64.516   19.384   95.213   9.4702   94.102   15.200 1.110840 17.90911 
1 1 1  -35    1   65 o  119.480   5.8662   99.040   9.4975  100.486   13.468   97.610   13.396  120.361   8.2570  118.600   8.3349 1.760567 11.73238 
1 1 1  -35    1   66 o  102.465   6.2011   73.032   8.6008   77.915   12.451   68.575   11.895  105.761   8.6875   99.168   8.8511 6.592690 12.40223 
1 1 1  -35    1   67 o  118.438   5.7382   97.582   9.1993   92.107   12.982  103.103   13.038  115.019   8.3289  121.857   7.8953 -6.838066 11.47636 
1 1 1  -35    1   68 f  145.226   5.3651  146.430   10.556  148.777   14.838  144.025   15.019  146.455   7.4764  143.997   7.6969 2.457916 10.73024 
1 1 1  -35    1   69 o   84.366   6.6737   50.172   7.6294   49.383   10.758   50.969   10.821   83.683   9.4868   85.050   9.3891 -1.367111 13.34749 
1 1 1  -35    1   70 o   99.683   6.1912   69.662   8.3466   63.837   11.533   76.068   12.094   95.243   8.9359  104.122   8.5715 -8.878922 12.38230 
1 1 1  -35    1   71 o   65.072   9.1364   29.869   7.7865   22.268   9.8527   42.513   12.708   53.851   13.521   76.294   12.291 -22.44275 18.27276 
1 1 1  -35    1   72 o   60.781   9.4908   28.878   7.6235   32.264   9.8037   23.698   12.125   66.894   10.815   54.668   15.600 12.22683 18.98170 
1 1 1  -35    1   73 o  148.772   7.0437  158.592   14.191  151.270   19.959  166.078   20.180  145.146   10.147  152.397   9.7717 -7.251068 14.08748 
1 1 1  -35    1   74 o   89.921   8.3682   59.409   10.177   54.655   14.173   64.468   14.623   86.014   12.160   93.828   11.500 -7.813957 16.73645 
1 1 1  -35    1   75 o  113.870   7.5172   94.224   11.534  106.931   16.543   82.203   16.090  121.770   10.025  105.971   11.204 15.79833 15.03433 
1 1 1  -35    1   76 o   98.901   7.8353   71.735   10.498   70.201   14.900   73.248   14.793   97.735   11.250  100.067   10.909 -2.332245 15.67053 
1 1 1  -35    1   77 o   71.485   14.123   40.321   13.196   0.0000   0.0000   40.321   13.196  ?   ?    71.485   14.123      ?      ? 
1 1 1  -35    2    1 o  283.241   9.6828  548.215   37.166   0.0000   0.0000  548.215   37.166  ?   ?   283.241   9.6828      ?      ? 
1 1 1  -35    2    2 o  216.337   5.6255  320.041   15.728  322.721   19.550  315.124   26.481  217.813   6.6233  214.862   9.0949 2.951447 11.25102 
1 1 1  -35    2    3 o  172.218   4.5900  201.348   10.699  208.924   15.602  194.623   14.701  175.262   6.5691  169.173   6.4124 6.089371 9.179969 
1 1 1  -35    2    4 o  218.720   4.6521  324.671   13.773  340.167   20.077  310.898   18.929  223.633   6.6249  213.807   6.5330 9.826019 9.304297 
1 1 1  -35    2    5 o  324.968   5.1777  718.702   22.794  724.997   32.722  712.768   31.769  326.334   7.3994  323.602   7.2445 2.732391 10.35540 
1 1 1  -35    2    6 o  418.819   5.8749  1195.51   33.337  1164.49   46.944  1227.06   47.351  413.318   8.3813  424.320   8.2347 -11.00259 11.74977 
1 1 1  -35    2    7 o  306.404   5.0948  638.780   21.148  644.910   30.356  632.999   29.478  307.818   7.2773  304.989   7.1323 2.828705 10.18965 
1 1 1  -35    2    8 o  171.854   4.6727  200.040   10.858  218.696   15.907  183.766   14.858  179.331   6.5457  164.376   6.6701 14.95546 9.345391 
1 1 1  -35    2    9 o  211.571   4.6757  304.169   13.396  310.421   19.393  298.464   18.525  213.639   6.6987  209.504   6.5250 4.134705 9.351334 
1 1 1  -35    2   10 o  188.083   4.7552  240.993   12.099  231.528   17.406  249.842   16.829  184.478   6.9626  191.688   6.4785 -7.209488 9.510443 
1 1 1  -35    2   11 o  130.136   6.2778  109.857   10.197  130.043   19.137  101.853   12.050  137.936   10.238  122.337   7.2685 15.59925 12.55563 
1 1 1  -35    2   12 o  292.167   6.2542  571.839   22.961  609.622   41.654  555.348   27.519  298.643   10.292  285.691   7.1082 12.95145 12.50842 
1 1 1  -35    2   13 o  344.742   6.5304  820.561   29.015  843.552   36.147  778.917   48.649  352.006   7.5778  337.478   10.638 14.52808 13.06078 
1 1 1  -35    2   14 o  302.819   6.2513  639.747   24.416  677.345   30.722  575.286   40.227  315.504   7.1855  290.134   10.231 25.37082 12.50256 
1 1 1  -35    2   15 o  239.752   5.5667  404.630   15.892  420.416   18.693  363.464   30.186  248.779   5.5447  230.725   9.6544 18.05467 11.13338 
1 1 1  -35    2   16 o  182.906   5.4293  234.361   11.913  242.566   14.054  213.418   22.454  188.974   5.4879  176.839   9.3697 12.13492 10.85855 
1 1 1  -35    2   17 o  219.637   5.5245  342.078   14.515  359.290   17.172  299.015   27.162  229.988   5.5097  209.286   9.5773 20.70226 11.04905 
1 1 1  -35    2   18 o  217.976   5.8279  323.108   16.466  321.598   20.472  325.876   27.713  217.430   6.9480  218.521   9.3587 -1.090118 11.65585 
1 1 1  -35    2   19 o  172.516   7.0328  202.476   16.441  202.476   16.441   0.0000   0.0000  172.516   7.0328  ?   ?       ?      ? 
1 1 1  -35    2   20 o  248.393   5.9847  424.251   18.962  409.267   32.620  431.899   23.304  244.796   9.8333  251.990   6.8243 -7.193832 11.96933 
1 1 1  -35    2   21 o  303.526   6.3120  635.973   24.476  604.865   41.812  652.190   30.189  297.464   10.372  309.589   7.1957 -12.12512 12.62405 
1 1 1  -35    2   22 o  355.158   5.4259  858.781   26.113  864.695   37.109  852.979   36.752  356.366   7.6843  353.949   7.6624 2.417694 10.85172 
1 1 1  -35    2   23 o  284.966   4.9967  552.371   19.292  537.015   27.072  568.213   27.498  280.936   7.1111  288.996   7.0214 -8.060242 9.993441 
1 1 1  -35    2   24 o  126.418   5.1567  108.886   8.8231  103.302   12.535  114.368   12.422  123.186   7.5089  129.650   7.0700 -6.464645 10.31348 
1 1 1  -35    2   25 o  177.249   4.8224  213.810   11.577  208.400   16.491  219.068   16.257  175.023   6.9528  179.474   6.6842 -4.451385 9.644700 
1 1 1  -35    2   26 o  213.937   4.7726  311.363   13.833  303.428   19.571  319.284   19.554  211.202   6.8381  216.672   6.6596 -5.469971 9.545184 
1 1 1  -35    2   27 o  179.479   4.7505  219.120   11.553  215.203   16.345  223.030   16.331  177.870   6.7811  181.089   6.6548 -3.218536 9.501027 
1 1 1  -35    2   28 o  301.608   6.2886  619.256   24.145  616.826   29.449  624.240   42.174  301.052   7.2186  302.164   10.299 -1.111755 12.57723 
1 1 1  -35    2   29 o  418.436   7.2964  1193.47   38.874  1186.30   47.404  1208.21   67.926  417.167   8.3854  419.706   11.943 -2.538513 14.59275 
1 1 1  -35    2   30 o  332.584   5.3030  753.130   23.900  753.367   33.881  752.895   33.720  332.632   7.5163  332.535   7.4829 0.9701538E-01 10.60609 
1 1 1  -35    2   31 o  222.189   4.8026  335.872   14.458  334.861   20.614  336.851   20.284  221.851   6.8568  222.527   6.7264 -0.6756744 9.605199 
1 1 1  -35    2   32 o  179.609   5.8177  222.596   13.564  229.866   17.064  210.117   22.356  183.806   6.8506  175.411   9.4050 8.394440 11.63550 
1 1 1  -35    2   33 o  218.624   5.7996  324.608   16.453  321.675   20.462  329.973   27.675  217.417   6.9450  219.830   9.2901 -2.412704 11.59910 
1 1 1  -35    2   34 o  296.594   5.1850  598.789   20.836  583.735   29.215  614.373   29.725  292.795   7.3631  300.392   7.3021 -7.597778 10.37000 
1 1 1  -35    2   35 o  314.795   5.2454  674.509   22.370  689.309   32.109  660.551   31.183  318.142   7.4478  311.448   7.3884 6.694458 10.49084 
1 1 1  -35    2   36 o  229.037   4.8989  356.978   15.201  359.472   21.800  354.619   21.206  229.805   7.0003  228.270   6.8552 1.534973 9.797883 
1 1 1  -35    2   37 o  222.158   4.9171  335.758   14.797  342.355   21.309  329.615   20.562  224.256   7.0119  220.060   6.8952 4.195404 9.834113 
1 1 1  -35    2   38 o  220.235   4.9192  330.019   14.675  336.062   21.125  324.384   20.401  222.174   7.0165  218.297   6.8965 3.876755 9.838329 
1 1 1  -35    2   39 o  222.507   4.9564  336.901   14.938  343.522   21.523  330.748   20.750  224.606   7.0713  220.409   6.9471 4.196487 9.912901 
1 1 1  -35    2   40 o  167.700   5.0538  191.679   11.475  187.857   16.479  195.276   15.988  166.055   7.3230  169.346   6.9668 -3.290817 10.10752 
1 1 1  -35    2   41 o  100.334   8.3662   68.711   11.375   0.0000   0.0000   68.711   11.375  ?   ?   100.334   8.3662      ?      ? 
1 1 1  -35    2   42 o  310.737   7.4137  658.117   31.218   0.0000   0.0000  658.117   31.218  ?   ?   310.737   7.4137      ?      ? 
1 1 1  -35    2   43 o  211.631   5.0060  305.391   14.341  289.500   20.302  321.220   20.261  206.100   7.2689  217.162   6.8849 -11.06255 10.01194 
1 1 1  -35    2   44 f  204.839   5.0102  286.172   13.895  278.711   19.909  293.258   19.402  202.204   7.2655  207.475   6.9009 -5.270859 10.02048 
1 1 1  -35    2   45 o  255.642   5.1070  445.390   17.686  451.605   25.409  439.549   24.633  257.358   7.2857  253.927   7.1585 3.430756 10.21398 
1 1 1  -35    2   46 o  200.217   5.0660  273.192   13.740  278.576   19.758  268.150   19.121  202.118   7.2135  198.317   7.1151 3.801208 10.13207 
1 1 1  -35    2   47 o  311.772   5.3636  663.541   22.659  657.373   32.162  669.620   31.928  310.315   7.6482  313.230   7.5220 -2.915527 10.72729 
1 1 1  -35    2   48 o  301.306   6.6901  628.526   25.667  640.698   31.513  604.537   44.240  306.320   7.5916  296.292   11.018 10.02722 13.38028 
1 1 1  -35    2   49 o  320.466   5.4690  701.632   23.747  717.165   33.768  686.433   33.403  323.990   7.6911  316.943   7.7772 7.047394 10.93790 
1 1 1  -35    2   50 o  272.382   5.1864  506.039   19.131  529.180   27.622  484.702   26.523  278.363   7.3225  266.401   7.3470 11.96207 10.37285 
1 1 1  -35    2   51 o  132.686   5.5501  120.544   9.9692  117.043   14.288  123.866   13.917  130.772   8.0623  134.600   7.6298 -3.827789 11.10020 
1 1 1  -35    2   52 o  236.392   5.0914  381.892   16.308  377.234   23.154  386.477   22.973  234.942   7.2725  237.842   7.1275 -2.900833 10.18289 
1 1 1  -35    2   53 o  140.069   5.5053  134.207   10.444  140.619   14.997  128.169   14.552  143.327   7.7215  136.812   7.8492 6.514648 11.01054 
1 1 1  -35    2   54 o   65.316   10.075   30.237   8.5234   26.826   10.910   35.581   13.655   60.780   13.587   69.852   14.881 -9.071774 20.15050 
1 1 1  -35    2   55 o  137.976   6.3753  128.358   11.621  119.853   14.670  142.687   19.041  132.149   8.1916  143.803   9.7710 -11.65372 12.75051 
1 1 1  -35    2   56 o  186.402   5.2915  238.195   13.361  232.579   18.986  243.705   18.807  184.190   7.6065  188.615   7.3580 -4.425064 10.58294 
1 1 1  -35    2   57 o  147.216   5.5336  148.820   11.036  147.183   15.743  150.402   15.475  146.393   7.9358  148.040   7.7141 -1.646606 11.06723 
1 1 1  -35    2   58 o  170.176   5.3267  199.088   12.264  190.587   17.592  207.126   17.105  166.560   7.7939  173.793   7.2630 -7.233749 10.65345 
1 1 1  -35    2   59 o  301.257   6.5717  626.478   25.379  632.176   43.664  623.570   31.189  301.282   10.695  301.231   7.6404 0.5154419E-01 13.14343 
1 1 1  -35    2   60 o  343.806   5.7252  814.091   26.664  829.946   38.337  799.234   37.111  347.007   8.1527  340.605   8.0402 6.401733 11.45041 
1 1 1  -35    2   61 o  161.579   7.0275  188.260   14.006  164.817   24.827  199.203   16.962  152.962   11.977  170.196   7.3545 -17.23401 14.05496 
1 1 1  -35    2   62 o  195.911   5.2217  264.274   13.861  260.056   19.643  268.457   19.562  194.322   7.4594  197.500   7.3090 -3.177643 10.44335 
1 1 1  -35    2   63 o  187.308   5.2721  241.843   13.324  213.014   18.555  272.531   19.144  175.635   7.7959  198.982   7.0996 -23.34625 10.54427 
1 1 1  -35    2   64 o  168.720   6.7939  193.322   14.382  184.610   17.175  213.768   26.311  163.421   7.7552  174.019   11.157 -10.59856 13.58779 
1 1 1  -35    2   65 o  118.325   7.5738   94.890   11.163   89.256   13.222  108.874   20.832  113.276   8.6136  123.373   12.460 -10.09647 15.14758 
1 1 1  -35    2   66 o  154.930   5.3149  166.197   11.156  168.607   15.678  163.726   15.877  156.114   7.4110  153.747   7.6203 2.366745 10.62981 
1 1 1  -35    2   67 o  139.982   5.4587  135.960   10.353  133.781   14.471  138.245   14.817  138.846   7.6912  141.119   7.7481 -2.272369 10.91734 
1 1 1  -35    2   68 o  172.304   5.2163  205.393   12.153  187.315   16.763  225.423   17.645  164.248   7.5312  180.360   7.2193 -16.11160 10.43256 
1 1 1  -35    2   69 f  105.331   5.9727   77.627   8.5210   74.256   11.911   81.161   12.195  102.954   8.5370  107.709   8.3553 -4.754700 11.94539 
1 1 1  -35    2   70 o  143.457   6.2954  143.016   11.749  138.208   14.595  151.867   19.803  140.788   7.6500  146.126   10.000 -5.337189 12.59087 
1 1 1  -35    2   71 o   45.755   10.555   15.249   7.4069   12.646   9.5028   19.278   11.823   41.704   14.124   49.806   15.690 -8.102486 21.11069 
1 1 1  -35    2   72 o   53.017   10.300   22.183   7.5752   23.212   9.7846   20.645   11.968   54.882   13.296   51.152   15.733 3.730099 20.59910 
1 1 1  -35    2   73 o  129.872   7.3854  121.143   12.967  132.711   19.013  111.081   17.732  135.725   10.337  124.019   10.551 11.70609 14.77071 
1 1 1  -35    2   74 o  182.466   7.0228  239.345   17.356  242.115   24.997  236.767   24.118  183.347   10.061  181.585   9.8011 1.761673 14.04566 
1 1 1  -35    2   75 o  113.300   7.6326   93.630   11.709   90.080   16.629   97.121   16.490  110.971   11.058  115.628   10.524 -4.657143 15.26513 
1 1 1  -35    2   76 o   77.309   12.622   44.879   13.223   0.0000   0.0000   44.879   13.223  ?   ?    77.309   12.622      ?      ? 
1 1 1  -35    2   77 o   60.328   14.819   29.420   12.028   0.0000   0.0000   29.420   12.028  ?   ?    60.328   14.819      ?      ? 
1 1 1  -35    3    1 o  315.080   6.2366  673.917   24.752  687.536   44.238  667.710   29.864  316.969   10.299  313.191   7.0365 3.778351 12.47321 
1 1 1  -35    3    2 o  261.454   5.8470  457.839   19.163  487.845   34.914  444.903   22.924  267.179   9.6431  255.728   6.6149 11.45128 11.69390 
1 1 1  -35    3    3 o  295.141   4.9610  591.387   19.810  618.426   29.040  567.855   27.091  301.417   7.1097  288.864   6.9208 12.55206 9.921944 
1 1 1  -35    3    4 o  248.659   4.7394  420.456   15.955  424.931   23.125  416.390   22.042  249.902   6.8285  247.416   6.5742 2.486252 9.478828 
1 1 1  -35    3    5 o  225.487   4.6533  345.949   14.208  342.733   20.442  348.956   19.762  224.454   6.7206  226.520   6.4380 -2.066040 9.306634 
1 1 1  -35    3    6 o  319.942   5.1538  696.527   22.333  664.613   31.255  729.818   31.922  312.438   7.3819  327.446   7.1940 -15.00769 10.30756 
1 1 1  -35    3    7 o  289.817   6.0969  571.996   22.677  570.238   27.890  575.425   38.954  289.461   7.1100  290.173   9.9064 -0.7113953 12.19385 
1 1 1  -35    3    8 o  309.439   6.2532  649.854   24.809  642.945   30.425  663.561   42.856  307.329   7.3055  311.548   10.151 -4.218903 12.50636 
1 1 1  -35    3    9 o  252.681   4.8117  434.183   16.467  438.936   23.736  429.773   22.865  254.000   6.8959  251.362   6.7125 2.637970 9.623500 
1 1 1  -35    3   10 o  232.882   4.7508  368.801   14.982  371.370   21.633  366.433   20.770  233.646   6.8323  232.118   6.6030 1.527802 9.501561 
1 1 1  -35    3   11 o  241.827   4.7957  397.861   15.706  396.076   22.597  399.529   21.844  241.284   6.9109  242.370   6.6509 -1.085892 9.591356 
1 1 1  -35    3   12 o  196.759   5.2637  267.774   12.391  272.759   14.530  254.481   23.728  200.394   5.3504  193.125   9.0663 7.269470 10.52737 
1 1 1  -35    3   13 o  346.902   6.1101  831.559   25.270  844.187   29.548  797.183   48.754  352.402   6.1875  341.402   10.538 10.99994 12.22022 
1 1 1  -35    3   14 o  254.940   5.4194  437.933   16.451  432.941   19.093  452.321   32.415  252.445   5.5810  257.434   9.2916 -4.989502 10.83889 
1 1 1  -35    3   15 o  142.153   5.3430  136.208   9.1540  134.606   10.697  140.591   17.695  140.760   5.6076  143.546   9.0964 -2.785278 10.68597 
1 1 1  -35    3   16 o  261.211   5.5941  477.971   17.463  493.990   20.549  436.332   33.131  269.653   5.6235  252.770   9.6722 16.88219 11.18815 
1 1 1  -35    3   17 o  165.612   5.4004  190.204   10.744  194.426   12.640  179.213   20.395  169.179   5.5133  162.045   9.2876 7.133728 10.80071 
1 1 1  -35    3   18 o  172.467   5.3976  204.372   11.169  206.552   13.091  198.537   21.415  174.372   5.5399  170.561   9.2653 3.811432 10.79519 
1 1 1  -35    3   19 o  268.103   5.5845  490.458   17.944  491.462   20.972  487.714   34.669  268.945   5.7543  267.261   9.5725 1.684174 11.16892 
1 1 1  -35    3   20 f  138.604   5.4989  130.219   9.3394  129.402   11.043  132.274   17.503  137.992   5.9053  139.216   9.2778 -1.223465 10.99774 
1 1 1  -35    3   21 o  255.728   5.5122  444.810   16.961  444.135   19.850  446.638   32.647  255.669   5.7294  255.786   9.4186 -0.1172028 11.02437 
1 1 1  -35    3   22 o  355.566   5.4218  860.653   26.120  873.783   37.372  848.115   36.520  358.209   7.6989  352.922   7.6361 5.286316 10.84361 
1 1 1  -35    3   23 o  201.230   5.8021  273.301   14.794  283.398   26.255  268.603   17.908  203.731   9.5099  198.730   6.6497 5.000824 11.60413 
1 1 1  -35    3   24 o  225.329   6.7812  346.561   20.701  355.178   29.662  338.378   28.905  228.057   9.5978  222.601   9.5823 5.456238 13.56238 
1 1 1  -35    3   25 o  247.373   6.8559  416.302   22.982  416.302   22.982   0.0000   0.0000  247.373   6.8559  ?   ?       ?      ? 
1 1 1  -35    3   26 o  268.578   4.9151  490.245   17.879  509.174   25.802  472.762   24.797  273.558   6.9603  263.598   6.9419 9.959717 9.830293 
1 1 1  -35    3   27 o  305.849   5.1268  636.021   21.237  658.627   30.664  615.184   29.440  311.061   7.2744  300.636   7.2263 10.42447 10.25365 
1 1 1  -35    3   28 o  292.702   6.1363  585.842   23.184  589.353   28.761  579.326   39.176  294.254   7.2127  291.149   9.9294 3.105347 12.27259 
1 1 1  -35    3   29 o  321.164   6.3550  705.487   26.317  709.178   32.601  698.584   44.585  322.728   7.4545  319.600   10.294 3.128021 12.71005 
1 1 1  -35    3   30 o  224.624   6.8927  343.324   20.981  343.324   20.981   0.0000   0.0000  224.624   6.8927  ?   ?       ?      ? 
1 1 1  -35    3   31 o  254.228   6.1339  450.195   19.961  471.475   24.826  411.275   33.574  263.212   6.9601  245.243   10.102 17.96817 12.26784 
1 1 1  -35    3   32 o  297.734   5.1073  603.559   20.604  595.137   29.196  611.916   29.082  295.652   7.2872  299.816   7.1580 -4.163971 10.21470 
1 1 1  -35    3   33 o  268.903   4.9789  491.684   18.132  506.178   26.219  478.398   25.102  272.687   7.0953  265.118   6.9869 7.569641 9.957859 
1 1 1  -35    3   34 o  329.821   5.3239  740.476   23.784  757.304   34.290  724.874   33.017  333.416   7.5891  326.226   7.4685 7.189240 10.64771 
1 1 1  -35    3   35 f  338.910   5.3889  782.643   24.746  778.489   35.260  786.676   34.737  338.005   7.6980  339.816   7.5434 -1.810730 10.77787 
1 1 1  -35    3   36 o  450.815   6.2374  1387.01   38.096  1408.02   54.608  1367.08   53.173  454.121   8.8737  447.510   8.7681 6.610535 12.47487 
1 1 1  -35    3   37 o  397.241   5.8242  1076.30   31.348  1081.78   44.787  1071.04   43.891  398.211   8.2996  396.271   8.1734 1.940155 11.64848 
1 1 1  -35    3   38 o  145.316   6.5678  147.811   11.756  135.767   21.256  153.119   14.111  140.670   11.150  149.961   6.9438 -9.291367 13.13568 
1 1 1  -35    3   39 o  263.216   6.2504  471.805   20.707  477.133   36.979  469.371   24.993  263.905   10.340  262.526   7.0253 1.378876 12.50085 
1 1 1  -35    3   40 o  317.934   5.3574  686.821   23.043  730.755   33.791  648.635   31.503  327.396   7.6164  308.472   7.5363 18.92407 10.71471 
1 1 1  -35    3   41 o  351.753   5.5581  844.151   26.489  827.172   37.516  861.032   37.406  348.198   7.9507  355.308   7.7689 -7.110260 11.11617 
1 1 1  -35    3   42 o  206.866   6.1707  298.034   16.158  276.254   27.894  309.031   19.822  200.734   10.254  212.997   6.8673 -12.26347 12.34144 
1 1 1  -35    3   43 o  187.893   6.1087  240.841   14.570  242.550   25.578  240.020   17.728  188.104   10.034  187.683   6.9702 0.4208374 12.21748 
1 1 1  -35    3   44 o  153.968   5.2251  161.982   10.881  153.250   15.563  170.334   15.220  149.863   7.6632  158.074   7.1051 -8.210388 10.45025 
1 1 1  -35    3   45 o  194.608   5.0253  258.568   13.234  245.932   18.862  270.820   18.574  189.880   7.3305  199.336   6.8759 -9.456192 10.05061 
1 1 1  -35    3   46 o  293.815   5.2574  589.079   20.927  591.194   29.962  587.065   29.243  294.308   7.5126  293.322   7.3569 0.9858704 10.51486 
1 1 1  -35    3   47 o  367.989   5.6974  924.590   28.393  954.112   41.065  897.552   39.300  373.589   8.1114  362.389   8.0027 11.19974 11.39471 
1 1 1  -35    3   48 f  140.400   5.4263  134.404   10.311  140.032   15.056  129.433   14.149  143.149   7.7616  137.651   7.5853 5.498062 10.85260 
1 1 1  -35    3   49 o  211.943   6.4388  303.766   17.193  296.520   20.681  319.977   30.934  208.365   7.3243  215.521   10.592 -7.156052 12.87750 
1 1 1  -35    3   50 o  144.073   5.4128  141.713   10.556  151.482   15.231  132.683   14.643  148.861   7.5502  139.284   7.7580 9.576889 10.82551 
1 1 1  -35    3   51 o  172.061   5.2058  202.307   12.136  207.002   17.343  197.802   16.988  174.018   7.3545  170.104   7.3697 3.914139 10.41163 
1 1 1  -35    3   52 f  205.990   6.1091  295.462   16.381  307.831   20.745  274.977   26.697  212.197   7.2142  199.783   9.8610 12.41347 12.21819 
1 1 1  -35    3   53 o  119.093   6.6539   95.468   10.483   88.260   13.249  107.536   17.144  113.368   8.6239  124.819   10.135 -11.45144 13.30783 
1 1 1  -35    3   54 o  135.542   5.6364  126.413   10.315  115.803   14.735  136.608   14.444  129.862   8.3733  141.221   7.5475 -11.35950 11.27282 
1 1 1  -35    3   55 f  278.477   5.3243  531.041   20.082  545.289   28.987  517.892   27.847  282.043   7.5841  274.912   7.4749 7.131256 10.64856 
1 1 1  -35    3   56 o   69.722   8.5324   34.389   7.8828   35.217   11.550   33.667   10.786   69.926   12.654   69.518   11.449 0.4082565 17.06486 
1 1 1  -35    3   57 f   96.367   6.5738   64.953   8.4696   54.917   12.271   74.085   11.705   88.985   10.176  103.750   8.3254 -14.76548 13.14758 
1 1 1  -35    3   58 o   75.896   8.1309   41.043   7.8704   55.647   11.506   28.203   10.789   89.656   9.4706   62.136   13.219 27.51999 16.26180 
1 1 1  -35    3   59 o  160.456   7.3238  176.853   15.925   0.0000   0.0000  176.853   15.925  ?   ?   160.456   7.3238      ?      ? 
1 1 1  -35    3   60 o   70.656   11.034   34.953   10.565   0.0000   0.0000   34.953   10.565  ?   ?    70.656   11.034      ?      ? 
1 1 1  -35    3   61 o  152.634   5.4023  160.162   11.160  168.578   16.280  152.702   15.328  156.394   7.6818  148.874   7.5978 7.519257 10.80450 
1 1 1  -35    3   62 f  170.572   5.2687  200.830   12.158  189.150   17.293  212.245   17.096  165.559   7.7077  175.584   7.1851 -10.02492 10.53731 
1 1 1  -35    3   63 o   93.356   6.4984   60.828   8.2025   58.010   11.809   63.455   11.402   91.158   9.5591   95.554   8.8057 -4.395287 12.99679 
1 1 1  -35    3   64 o   65.242   8.4420   30.808   7.2768   26.954   10.221   34.768   10.362   60.308   12.897   70.176   10.896 -9.868835 16.88392 
1 1 1  -35    3   65 o  120.420   7.3822   96.663   11.150   88.219   13.212  117.568   20.788  112.524   8.6641  128.314   11.955 -15.79002 14.76444 
1 1 1  -35    3   66 f  131.736   5.5011  120.434   9.8134  126.680   13.982  114.369   13.776  135.161   7.6339  128.312   7.9229 6.848679 11.00225 
1 1 1  -35    3   67 o  119.375   5.7164   99.278   9.2315  106.811   13.157   91.974   12.956  123.935   7.8341  114.815   8.3268 9.120003 11.43281 
1 1 1  -35    3   68 o  142.547   5.3863  141.378   10.400  136.816   14.729  145.913   14.686  140.186   7.7535  144.907   7.4787 -4.720596 10.77250 
1 1 1  -35    3   69 o  107.726   6.8648   82.757   9.6871   84.441   12.320   80.029   15.679  109.817   8.2784  105.635   10.953 4.181198 13.72966 
1 1 1  -35    3   70 o  136.106   6.4398  130.688   11.499  129.999   14.552  131.833   18.764  136.337   7.8763  135.874   10.191 0.4627991 12.87964 
1 1 1  -35    3   71 o   95.293   7.2571   62.674   9.1376   54.777   11.473   76.374   15.112   87.691   9.6543  102.894   10.838 -15.20217 14.51426 
1 1 1  -35    3   72 o   74.154   8.7908   42.335   8.2048   46.543   10.529   35.829   13.092   80.734   9.6239   67.575   14.714 13.15958 17.58166 
1 1 1  -35    3   73 o   99.641   8.1803   72.952   11.010   69.345   15.915   76.262   15.247   96.906   12.119  102.376   10.990 -5.470459 16.36053 
1 1 1  -35    3   74 o  118.202   7.5332  101.521   12.055  102.184   17.455  100.917   16.668  118.399   10.879  118.004   10.423 0.3947678 15.06639 
1 1 1  -35    3   75 o  101.660   11.004   75.696   15.159   0.0000   0.0000   75.696   15.159  ?   ?   101.660   11.004      ?      ? 
1 1 1  -35    3   76 o   33.049   14.032   3.0892   10.940   0.0000   0.0000   3.0892   10.940  ?   ?    33.049   14.032      ?      ? 
1 1 1  -35    3   77 o   87.842   12.024   57.753   14.314   0.0000   0.0000   57.753   14.314  ?   ?    87.842   12.024      ?      ? 
1 1 1  -35    4    1 o  102.923   5.9701   70.601   8.1619   64.407   10.383   80.617   13.204   97.199   7.8829  108.647   8.9682 -11.44798 11.94024 
1 1 1  -35    4    2 o  190.669   5.5616  253.814   13.822  273.366   17.723  223.459   22.083  200.447   6.5246  180.891   9.0087 19.55594 11.12326 
1 1 1  -35    4    3 o  257.307   5.7554  454.032   19.317  461.290   24.341  441.682   31.749  260.329   6.8996  254.284   9.2137 6.044540 11.51072 
1 1 1  -35    4    4 o  274.023   4.8444  509.111   17.940  536.416   26.583  486.273   24.312  280.721   6.9880  267.326   6.7111 13.39471 9.688704 
1 1 1  -35    4    5 o  313.648   5.0837  669.504   21.584  675.381   31.324  664.190   29.784  314.926   7.3397  312.370   7.0360 2.556793 10.16746 
1 1 1  -35    4    6 o  103.046   5.2580   73.052   7.2607   65.794   10.751   79.138   9.8450   98.245   8.0752  107.847   6.7364 -9.601631 10.51609 
1 1 1  -35    4    7 o  135.254   4.8118  124.975   8.7634  119.462   12.981  129.592   11.879  132.465   7.2312  138.043   6.3502 -5.577484 9.623674 
1 1 1  -35    4    8 o  184.188   4.6105  229.908   11.476  241.755   17.009  220.008   15.549  188.513   6.6583  179.864   6.3792 8.649048 9.221013 
1 1 1  -35    4    9 o  230.240   4.7206  359.740   14.700  374.073   21.621  347.420   20.045  234.477   6.8045  226.004   6.5449 8.472702 9.441262 
1 1 1  -35    4   10 o  218.591   4.7509  324.843   14.057  329.443   20.431  320.709   19.371  220.042   6.8517  217.140   6.5832 2.901596 9.501755 
1 1 1  -35    4   11 o  152.825   7.0290  158.944   14.557  158.944   14.557   0.0000   0.0000  152.825   7.0290  ?   ?       ?      ? 
1 1 1  -35    4   12 o  139.954   5.5232  133.075   10.475  133.075   10.475   0.0000   0.0000  139.954   5.5232  ?   ?       ?      ? 
1 1 1  -35    4   13 o  378.370   6.3716  991.902   28.852  1009.59   33.835  944.762   55.231  385.297   6.4803  371.444   10.972 13.85226 12.74319 
1 1 1  -35    4   14 o  392.245   6.4882  1061.29   30.414  1074.18   35.585  1026.37   58.583  397.402   6.6078  387.087   11.168 10.31467 12.97649 
1 1 1  -35    4   15 o  285.333   5.6748  566.234   19.479  580.515   22.956  529.505   36.813  292.275   5.7958  278.390   9.7582 13.88498 11.34961 
1 1 1  -35    4   16 o  518.977   7.7446  1852.88   47.740  1862.60   55.580  1825.51   93.223  522.899   7.8437  515.054   13.356 7.845581 15.48922 
1 1 1  -35    4   17 o  464.126   7.1781  1476.06   39.583  1479.75   46.055  1465.63   77.435  466.242   7.2893  462.010   12.368 4.231628 14.35625 
1 1 1  -35    4   18 o  458.789   7.1616  1459.96   39.277  1484.64   46.026  1393.81   75.342  467.017   7.2726  450.561   12.340 16.45587 14.32326 
1 1 1  -35    4   19 o  525.247   7.7961  1868.83   48.185  1848.36   55.601  1930.60   96.574  520.884   7.8769  529.610   13.456 -8.726563 15.59216 
1 1 1  -35    4   20 o  290.720   5.7776  591.487   20.267  611.524   23.986  541.470   37.895  299.964   5.9007  281.475   9.9349 18.48840 11.55511 
1 1 1  -35    4   21 o  394.766   6.5115  1060.20   30.628  1056.27   35.633  1071.34   59.935  394.061   6.6727  395.471   11.184 -1.409851 13.02300 
1 1 1  -35    4   22 o  378.960   6.4248  989.580   29.253  1000.93   34.326  959.475   55.913  383.612   6.6031  374.307   11.023 9.304993 12.84951 
1 1 1  -35    4   23 o  139.428   5.8558  134.505   10.596  139.923   13.355  125.302   17.407  143.405   6.8724  135.451   9.4832 7.953781 11.71159 
1 1 1  -35    4   24 o  138.605   5.7363  128.799   10.436  122.788   13.076  139.346   17.321  134.310   7.1843  142.900   8.9447 -8.589996 11.47266 
1 1 1  -35    4   25 o  225.089   6.6807  346.073   20.325  345.388   29.821  346.666   27.775  224.815   9.7885  225.362   9.0947 -0.5463104 13.36149 
1 1 1  -35    4   26 o  244.908   5.9293  401.771   18.241  428.152   33.109  390.275   21.857  250.305   9.7610  239.511   6.7340 10.79420 11.85853 
1 1 1  -35    4   27 f  186.996   4.7104  237.496   11.921  245.255   17.394  230.623   16.371  189.861   6.7605  184.132   6.5609 5.728836 9.420706 
1 1 1  -35    4   28 o  137.411   5.0289  127.439   9.3231  144.270   13.906  113.696   12.565  145.589   7.0485  129.234   7.1749 16.35477 10.05787 
1 1 1  -35    4   29 o  108.313   7.8999   80.188   11.580   85.510   16.883   75.461   15.912  111.700   11.154  104.927   11.190 6.772255 15.79979 
1 1 1  -35    4   30 o  335.822   6.6025  771.454   28.448  773.806   35.035  766.902   48.740  337.015   7.6713  334.629   10.748 2.385986 13.20506 
1 1 1  -35    4   31 o  284.929   5.0770  552.567   19.593  558.332   28.239  547.216   27.206  286.342   7.2775  283.515   7.0812 2.827148 10.15406 
1 1 1  -35    4   32 o  271.814   6.2336  510.409   21.747  524.136   26.964  484.861   36.785  277.446   7.1718  266.182   10.198 11.26367 12.46725 
1 1 1  -35    4   33 o  194.447   5.9350  254.173   14.821  246.486   18.126  269.677   25.744  190.274   7.0296  198.620   9.5646 -8.345932 11.86998 
1 1 1  -35    4   34 o  102.228   5.8362   71.879   7.9901   66.770   12.002   75.945   10.708   98.878   8.9575  105.578   7.4840 -6.700775 11.67247 
1 1 1  -35    4   35 o   97.323   8.4836   75.166   9.1332   46.515   16.197   88.523   11.059   80.639   15.383  114.008   7.1582 -33.36877 16.96716 
1 1 1  -35    4   36 f  142.745   6.1733  131.084   10.992  159.917   20.762  119.856   12.957  152.842   10.024  132.647   7.2079 20.19438 12.34665 
1 1 1  -35    4   37 o  270.160   5.0572  496.929   18.501  503.752   26.746  490.669   25.620  271.916   7.2583  268.405   7.0439 3.511230 10.11431 
1 1 1  -35    4   38 o  324.063   5.3533  714.812   23.488  742.674   34.112  689.695   32.388  330.043   7.6271  318.082   7.5139 11.96060 10.70657 
1 1 1  -35    4   39 o  301.547   5.2267  620.038   21.351  605.052   30.326  634.766   30.064  297.903   7.5120  305.190   7.2694 -7.287292 10.45343 
1 1 1  -35    4   40 o  157.547   5.1092  169.054   10.887  171.061   15.933  167.296   14.913  158.398   7.4225  156.696   7.0228 1.701904 10.21831 
1 1 1  -35    4   41 o  385.649   5.7698  1014.01   30.126  1051.57   43.747  980.125   41.549  392.408   8.2267  378.891   8.0921 13.51700 11.53951 
1 1 1  -35    4   42 o  333.773   5.4364  760.181   24.584  761.504   35.154  758.915   34.391  334.033   7.7662  333.513   7.6095 0.5202332 10.87278 
1 1 1  -35    4   43 o  282.004   6.3364  543.515   22.624  546.243   39.886  542.222   27.471  282.028   10.436  281.981   7.1891 0.4721069E-01 12.67277 
1 1 1  -35    4   44 o  161.992   6.3712  183.339   12.971  169.512   22.670  190.070   15.816  157.023   10.654  166.960   6.9903 -9.937531 12.74237 
1 1 1  -35    4   45 f  110.783   5.9196   83.728   8.8753   89.392   12.916   78.660   12.216  114.328   8.3367  107.238   8.4064 7.090492 11.83928 
1 1 1  -35    4   46 o  273.593   5.1862  510.644   19.219  522.544   27.701  499.599   26.688  276.649   7.3889  270.538   7.2795 6.111847 10.37244 
1 1 1  -35    4   47 o  169.539   5.1948  196.674   11.882  174.309   16.706  219.567   16.902  159.697   7.7197  179.380   6.9533 -19.68335 10.38950 
1 1 1  -35    4   48 o  100.816   6.2932   69.232   8.5664   77.675   12.688   62.160   11.613  106.440   8.7964   95.192   9.0022 11.24838 12.58635 
1 1 1  -35    4   49 o  150.967   6.9896  158.446   13.198  161.152   15.948  152.564   23.513  153.498   7.6669  148.436   11.689 5.062073 13.97923 
1 1 1  -35    4   50 o  219.548   7.3287  329.552   21.804  329.552   21.804   0.0000   0.0000  219.548   7.3287  ?   ?       ?      ? 
1 1 1  -35    4   51 o   82.062   8.7293   49.054   9.0869   55.744   11.943   39.856   14.003   89.942   9.7988   74.181   14.449 15.76186 17.45855 
1 1 1  -35    4   52 o  136.536   5.5504  128.027   10.241  123.510   14.887  132.083   14.109  134.178   8.1876  138.895   7.4960 -4.717422 11.10080 
1 1 1  -35    4   53 o  112.093   6.1110   86.432   9.2454   85.825   13.673   86.944   12.549  111.655   9.0364  112.532   8.2292 -0.8766479 12.22199 
1 1 1  -35    4   54 o  276.547   5.3088  524.311   19.889  521.466   28.438  527.035   27.827  275.769   7.6098  277.326   7.4044 -1.556335 10.61761 
1 1 1  -35    4   55 o  168.579   5.2839  195.292   12.047  185.311   17.271  204.750   16.812  164.297   7.7570  172.861   7.1769 -8.564499 10.56785 
1 1 1  -35    4   56 o  160.040   5.3131  175.820   11.509  175.747   16.688  175.885   15.893  159.958   7.6988  160.123   7.3243 -0.1658783 10.62628 
1 1 1  -35    4   57 o  179.996   6.3935  211.651   14.329  255.545   27.080  194.582   16.887  191.660   10.426  168.333   7.4027 23.32643 12.78708 
1 1 1  -35    4   58 o  145.875   7.0546  152.848   12.547  135.997   22.792  160.175   15.030  139.045   12.096  152.705   7.2632 -13.66031 14.10919 
1 1 1  -35    4   59 o  121.359   5.8237  100.693   9.5255  111.292   14.419   92.486   12.688  126.931   8.3828  115.788   8.0865 11.14347 11.64744 
1 1 1  -35    4   60 o  140.103   6.9142  144.017   11.999  116.712   20.591  158.056   14.765  128.625   11.813  151.581   7.1879 -22.95677 13.82833 
1 1 1  -35    4   61 o  115.600   5.8939   91.985   9.2061  101.311   13.613   84.127   12.497  120.976   8.3039  110.223   8.3665 10.75357 11.78786 
1 1 1  -35    4   62 o  145.435   5.3914  146.203   10.608  144.084   15.387  148.123   14.644  144.340   7.8664  146.529   7.3748 -2.188766 10.78274 
1 1 1  -35    4   63 o  188.071   5.1603  243.727   13.138  254.656   19.128  233.967   18.076  192.029   7.3504  184.113   7.2449 7.915909 10.32066 
1 1 1  -35    4   64 o  125.897   5.6416  110.198   9.6048  104.174   13.749  115.941   13.423  122.412   8.2884  129.382   7.6560 -6.969803 11.28328 
1 1 1  -35    4   65 o   93.546   8.5058   63.593   9.7936   64.953   11.741   60.483   17.757   96.351   8.9920   90.741   14.441 5.610252 17.01150 
1 1 1  -35    4   66 o  107.468   6.0785   80.602   8.8444   76.463   12.237   85.130   12.798  104.569   8.6352  110.367   8.5570 -5.797691 12.15690 
1 1 1  -35    4   67 o   77.740   7.0088   42.735   7.3784   44.922   10.636   40.707   10.244   79.675   9.8510   75.805   9.9725 3.870209 14.01756 
1 1 1  -35    4   68 o   39.752   9.7189   8.0668   6.9196   0.1892   8.9521   19.759   10.906   28.882   12.484   50.622   14.899 -21.74014 19.43789 
1 1 1  -35    4   69 o   51.719   9.9162   21.370   7.3579   26.313   9.5801   14.258   11.490   59.100   12.359   44.338   15.510 14.76194 19.83237 
1 1 1  -35    4   70 o   72.085   8.6535   38.677   8.0995   39.290   10.585   37.810   12.580   73.916   10.568   70.254   13.706 3.662682 17.30704 
1 1 1  -35    4   71 o   52.511   9.9683   19.862   7.3359   12.840   9.3187   31.306   11.896   41.671   13.987   63.352   14.207 -21.68122 19.93654 
1 1 1  -35    4   72 o   83.958   10.430   57.561   10.990   40.530   16.861   70.140   14.491   69.656   17.797   98.259   10.883 -28.60294 20.86098 
1 1 1  -35    4   73 o   71.992   13.760   40.237   12.935   0.0000   0.0000   40.237   12.935  ?   ?    71.992   13.760      ?      ? 
1 1 1  -35    4   74 o   75.672   12.528   42.855   12.847   0.0000   0.0000   42.855   12.847  ?   ?    75.672   12.528      ?      ? 
1 1 1  -35    4   75 o   86.406   11.482   55.206   13.444   0.0000   0.0000   55.206   13.444  ?   ?    86.406   11.482      ?      ? 
1 1 1  -35    4   76 o  106.924   10.809   83.979   15.662   0.0000   0.0000   83.979   15.662  ?   ?   106.924   10.809      ?      ? 
1 1 1  -35    4   77 o   58.383   15.269   28.058   12.218   0.0000   0.0000   28.058   12.218  ?   ?    58.383   15.269      ?      ? 
1 1 1  -35    5    1 o  224.108   4.5982  342.613   13.893  333.497   20.566  350.266   18.842  221.303   6.8577  226.912   6.1275 -5.609283 9.196406 
1 1 1  -35    5    2 o  107.130   5.0221   77.867   7.1646   79.803   11.289   76.561   9.2712  108.192   7.6995  106.069   6.4501 2.123474 10.04422 
1 1 1  -35    5    3 o  137.365   4.7285  127.995   8.6997  131.292   13.438  125.615   11.415  138.838   7.1421  135.891   6.1987 2.947449 9.456917 
1 1 1  -35    5    4 f  351.832   5.3384  842.098   25.395  864.403   37.383  822.984   34.606  356.098   7.7467  347.567   7.3473 8.531097 10.67681 
1 1 1  -35    5    5 o  304.087   5.0370  627.657   20.695  655.210   30.703  604.714   28.016  310.143   7.3052  298.030   6.9369 12.11331 10.07405 
1 1 1  -35    5    6 o  134.007   5.8130  125.543   10.275  141.316   13.657  104.970   15.597  144.071   6.9951  123.943   9.2862 20.12791 11.62604 
1 1 1  -35    5    7 o  151.066   5.5178  155.786   11.083  156.828   14.378  154.260   17.399  151.777   6.9906  150.354   8.5392 1.422745 11.03569 
1 1 1  -35    5    8 o  214.638   4.6471  310.958   13.448  338.049   20.304  289.784   17.950  222.880   6.7226  206.396   6.4179 16.48378 9.294185 
1 1 1  -35    5    9 o  256.143   5.7768  451.284   19.397  463.610   24.688  431.406   31.353  260.971   6.9809  251.314   9.2062 9.656540 11.55368 
1 1 1  -35    5   10 o  190.833   5.0787  249.067   11.715  250.437   13.772  245.481   22.282  191.998   5.2933  189.667   8.6691 2.331177 10.15737 
1 1 1  -35    5   11 o  199.613   5.1471  275.377   12.470  280.669   14.749  262.118   23.348  203.252   5.3550  195.974   8.7918 7.278091 10.29421 
1 1 1  -35    5   12 o  246.025   5.3632  421.887   15.954  434.316   18.881  390.854   29.833  252.820   5.5109  239.231   9.2024 13.58858 10.72630 
1 1 1  -35    5   13 o  210.589   5.1655  303.425   13.229  305.293   15.613  298.671   24.907  211.976   5.4353  209.202   8.7856 2.774109 10.33098 
1 1 1  -35    5   14 o  278.989   6.8615  529.686   25.941  529.686   25.941   0.0000   0.0000  278.989   6.8615  ?   ?       ?      ? 
1 1 1  -35    5   15 o  203.149   6.4471  280.704   17.749  280.704   17.749   0.0000   0.0000  203.149   6.4471  ?   ?       ?      ? 
1 1 1  -35    5   16 o  176.243   5.4059  213.170   12.394  217.400   15.576  205.870   20.461  178.783   6.4292  173.704   8.6925 5.078735 10.81174 
1 1 1  -35    5   17 o  142.904   5.5418  140.863   10.315  145.740   13.040  132.710   16.861  146.369   6.5745  139.439   8.9232 6.929565 11.08362 
1 1 1  -35    5   18 o  151.638   5.4690  156.195   10.866  154.853   13.690  158.479   17.862  150.864   6.6964  152.411   8.6485 -1.546677 10.93798 
1 1 1  -35    5   19 o  171.326   5.1675  199.383   10.934  198.697   13.008  201.036   20.185  170.997   5.6137  171.654   8.6775 -0.6575317 10.33501 
1 1 1  -35    5   20 o  210.981   5.2378  306.871   13.526  312.042   16.076  294.337   25.027  214.297   5.5359  207.665   8.8933 6.631821 10.47558 
1 1 1  -35    5   21 o  281.548   5.5939  542.302   19.080  544.912   22.459  535.533   36.172  283.138   5.8533  279.958   9.5344 3.179779 11.18773 
1 1 1  -35    5   22 o  226.813   5.3115  350.707   14.718  351.115   17.400  349.681   27.593  227.303   5.6488  226.323   8.9967 0.9792633 10.62305 
1 1 1  -35    5   23 o  247.427   5.4035  415.155   16.258  412.737   19.130  421.442   30.850  246.431   5.7284  248.424   9.1638 -1.993118 10.80691 
1 1 1  -35    5   24 o  197.571   5.2313  264.958   12.737  263.715   15.125  267.989   23.619  196.986   5.6659  198.156   8.7956 -1.169785 10.46255 
1 1 1  -35    5   25 o  196.032   5.2706  262.462   12.743  263.483   15.173  260.017   23.475  196.896   5.6865  195.169   8.8759 1.726791 10.54125 
1 1 1  -35    5   26 o  267.941   6.1459  493.776   20.726  479.471   36.634  500.511   25.136  264.699   10.213  271.183   6.8399 -6.483551 12.29172 
1 1 1  -35    5   27 o  210.887   5.9710  307.994   15.740  291.287   27.972  315.736   19.041  206.348   10.003  215.426   6.5224 -9.077377 11.94191 
1 1 1  -35    5   28 o  151.853   4.8353  157.219   9.9203  153.126   14.493  160.827   13.607  149.960   7.1319  153.746   6.5312 -3.785690 9.670581 
1 1 1  -35    5   29 o  131.066   5.1431  117.678   9.0667  110.295   13.409  123.897   12.306  127.207   7.7785  134.924   6.7307 -7.716576 10.28628 
1 1 1  -35    5   30 o  321.695   6.4727  708.344   26.364  703.381   46.346  710.718   32.055  320.382   10.675  323.009   7.3231 -2.627930 12.94534 
1 1 1  -35    5   31 o  375.871   6.8870  953.782   32.671  1001.26   58.561  932.325   39.367  381.951   11.314  369.792   7.8558 12.15860 13.77395 
1 1 1  -35    5   32 o  133.021   6.4093  120.268   10.555  122.471   19.443  119.347   12.568  133.656   10.735  132.385   7.0053 1.270905 12.81850 
1 1 1  -35    5   33 o  104.827   6.9274   73.364   9.4970   68.611   11.799   82.110   16.005  100.235   8.6862  109.420   10.794 -9.185585 13.85488 
1 1 1  -35    5   34 f  234.148   7.1043  373.433   22.417  321.825   30.603  433.189   32.930  216.691   10.422  251.605   9.6580 -34.91431 14.20869 
1 1 1  -35    5   35 o  227.111   7.0622  353.191   21.726  339.667   30.499  367.124   30.958  222.668   10.107  231.553   9.8659 -8.884689 14.12436 
1 1 1  -35    5   36 o  213.075   4.9737  309.504   14.351  302.451   20.532  316.241   20.067  210.674   7.1918  215.476   6.8723 -4.802475 9.947362 
1 1 1  -35    5   37 o  254.400   4.9921  441.337   17.196  428.651   24.572  453.513   24.074  250.779   7.2304  258.020   6.8850 -7.241302 9.984117 
1 1 1  -35    5   38 o  170.181   4.9783  198.003   11.443  185.162   16.482  209.952   15.900  164.789   7.3807  175.573   6.6827 -10.78433 9.956571 
1 1 1  -35    5   39 o  186.609   4.9526  238.318   12.469  216.568   17.851  259.036   17.423  178.199   7.3924  195.019   6.5927 -16.82016 9.905107 
1 1 1  -35    5   40 o  102.776   5.9237   70.703   8.1505   88.130   12.505   57.833   10.747  113.586   8.1244   91.966   8.6230 21.61991 11.84744 
1 1 1  -35    5   41 o  116.145   5.6552   92.280   8.8664   90.515   13.056   93.791   12.079  115.068   8.3729  117.222   7.6039 -2.154587 11.31033 
1 1 1  -35    5   42 o  284.890   5.1874  553.837   20.019  553.709   28.718  553.958   27.920  284.829   7.4403  284.951   7.2305 -0.1212463 10.37489 
1 1 1  -35    5   43 o  279.494   5.1835  533.402   19.624  519.286   27.878  547.268   27.630  275.791   7.4592  283.197   7.1996 -7.406342 10.36699 
1 1 1  -35    5   44 o  141.095   6.4602  136.808   11.558  135.576   20.241  137.404   14.079  140.327   10.644  141.864   7.3236 -1.537292 12.92036 
1 1 1  -35    5   45 o  100.978   6.3783   70.869   8.5998   62.372   12.789   77.884   11.619   95.254   9.9075  106.703   8.0356 -11.44943 12.75650 
1 1 1  -35    5   46 o  140.015   5.4640  133.368   10.339  143.928   15.323  124.542   14.009  145.066   7.7947  134.965   7.6593 10.10164 10.92808 
1 1 1  -35    5   47 o  270.259   6.1899  504.199   21.906  513.914   27.786  488.242   35.608  274.168   7.4787  266.351   9.8654 7.816589 12.37972 
1 1 1  -35    5   48 o  294.377   6.3663  602.740   24.494  626.096   31.161  564.977   39.623  302.506   7.6014  286.249   10.215 16.25711 12.73256 
1 1 1  -35    5   49 o   83.001   7.1023   47.452   7.9629   48.249   11.781   46.781   10.805   83.589   10.401   82.412   9.6747 1.177139 14.20461 
1 1 1  -35    5   50 o  217.156   6.5562  330.096   18.050  341.089   22.165  308.449   31.103  223.256   7.3261  211.055   10.875 12.20070 13.11245 
1 1 1  -35    5   51 o  194.372   5.1995  258.784   13.683  256.308   19.722  261.081   19.000  193.427   7.5241  195.316   7.1784 -1.888443 10.39909 
1 1 1  -35    5   52 o  174.658   5.2612  208.597   12.434  217.190   18.193  201.064   17.034  178.000   7.5424  171.317   7.3371 6.682617 10.52243 
1 1 1  -35    5   53 o  112.635   6.0618   87.177   9.2173   89.026   13.704   85.649   12.456  113.656   8.8977  111.614   8.2350 2.041405 12.12369 
1 1 1  -35    5   54 o  154.954   5.3679  165.670   11.212  151.272   16.187  178.948   15.545  148.323   8.0535  161.585   7.0993 -13.26178 10.73583 
1 1 1  -35    5   55 o   91.367   8.5358   55.531   9.5453   65.804   18.491   51.799   11.145   96.239   14.179   86.495   9.5083 9.743820 17.07163 
1 1 1  -35    5   56 o  142.447   7.4594  153.184   12.583  114.709   22.654  170.352   15.133  127.340   13.128  157.553   7.0878 -30.21347 14.91889 
1 1 1  -35    5   57 o  146.672   5.4212  148.519   10.739  140.915   15.571  155.417   14.830  142.967   8.0372  150.377   7.2774 -7.409714 10.84240 
1 1 1  -35    5   58 o  209.726   5.1237  302.581   14.547  301.236   21.031  303.814   20.142  209.204   7.4182  210.248   7.0697 -1.043457 10.24745 
1 1 1  -35    5   59 o  122.528   5.8555  104.716   9.6321   95.028   14.171  113.034   13.132  117.010   8.9373  128.047   7.5677 -11.03705 11.71093 
1 1 1  -35    5   60 o  175.289   6.2432  208.270   13.881  228.298   24.852  199.188   16.734  180.567   10.156  170.010   7.2635 10.55649 12.48632 
1 1 1  -35    5   61 o  122.265   5.7745  103.272   9.5468  108.705   14.077   98.645   12.991  125.188   8.2976  119.341   8.0329 5.846245 11.54893 
1 1 1  -35    5   62 o  144.411   5.4280  144.448   10.592  142.946   15.525  145.756   14.488  143.586   7.9789  145.236   7.3612 -1.650574 10.85592 
1 1 1  -35    5   63 o  194.001   5.1694  260.541   13.571  255.259   19.601  265.405   18.808  191.988   7.5338  196.014   7.0805 -4.025208 10.33885 
1 1 1  -35    5   64 o  148.043   5.3672  151.368   10.744  163.893   15.810  140.622   14.645  153.708   7.5904  142.378   7.5905 11.33000 10.73450 
1 1 1  -35    5   65 o  127.643   7.3086  112.538   11.687  107.760   13.957  123.750   21.379  124.249   8.2893  131.036   12.040 -6.786980 14.61724 
1 1 1  -35    5   66 o  110.780   8.5236   85.974   12.796   85.974   12.796   0.0000   0.0000  110.780   8.5236  ?   ?       ?      ? 
1 1 1  -35    5   67 o   92.563   9.4038   65.209   11.067   55.721   17.164   71.961   14.479   84.856   15.498  100.269   10.656 -15.41295 18.80759 
1 1 1  -35    5   68 o  106.175   6.9045   80.913   9.6923   83.837   12.571   76.627   15.219  109.178   8.4968  103.173   10.885 6.005272 13.80896 
1 1 1  -35    5   69 o   35.068   9.7863   6.4700   6.8514   7.7553   8.9525   4.6531   10.644   35.698   13.503   34.438   14.169 1.259609 19.57269 
1 1 1  -35    5   70 o   82.856   8.2906   52.304   8.6286   58.168   11.157   43.578   13.610   90.483   9.0994   75.229   13.861 15.25462 16.58122 
1 1 1  -35    5   71 o  108.925   6.6883   81.171   9.6195   69.276   12.056  102.013   15.959   98.677   9.0158  119.173   9.8817 -20.49633 13.37658 
1 1 1  -35    5   72 o   63.123   10.795   33.209   9.6692   20.805   14.794   42.459   12.776   50.781   17.609   75.465   12.493 -24.68389 21.59039 
1 1 1  -35    5   73 o   97.678   11.304   70.183   14.963   0.0000   0.0000   70.183   14.963  ?   ?    97.678   11.304      ?      ? 
1 1 1  -35    5   74 o   41.156   15.269   12.054   11.334   0.0000   0.0000   12.054   11.334  ?   ?    41.156   15.269      ?      ? 
1 1 1  -35    5   75 o   56.792   15.581   26.604   12.353   0.0000   0.0000   26.604   12.353  ?   ?    56.792   15.581      ?      ? 
1 1 1  -35    5   76 o   33.213   14.028   3.6721   10.844   0.0000   0.0000   3.6721   10.844  ?   ?    33.213   14.028      ?      ? 
1 1 1  -35    5   77 o   63.746   14.984   33.290   12.726   0.0000   0.0000   33.290   12.726  ?   ?    63.746   14.984      ?      ? 
1 1 1  -35    6    1 o  259.940   5.9101  464.344   18.859  454.938   34.901  468.224   22.413  257.615   9.9973  262.265   6.3064 -4.650391 11.82017 
1 1 1  -35    6    2 o  229.730   4.6670  358.871   14.376  362.874   22.039  355.906   18.967  230.763   7.0475  228.696   6.1201 2.066986 9.333942 
1 1 1  -35    6    3 o  182.565   4.5201  225.183   11.053  237.634   17.168  216.369   14.445  186.791   6.7825  178.340   5.9769 8.450729 9.040170 
1 1 1  -35    6    4 o  167.004   4.5670  191.028   10.203  181.830   15.518  198.033   13.542  163.372   7.0094  170.635   5.8565 -7.263062 9.134021 
1 1 1  -35    6    5 o  284.344   4.8988  550.486   18.813  553.173   27.797  548.214   25.556  284.925   7.1991  283.763   6.6458 1.162170 9.797682 
1 1 1  -35    6    6 o  236.159   4.7103  381.391   14.993  359.215   21.971  400.716   20.511  229.637   7.0605  242.681   6.2369 -13.04459 9.420657 
1 1 1  -35    6    7 o  128.235   4.8637  112.723   8.3279  107.298   12.751  116.758   10.997  125.466   7.4998  131.004   6.1946 -5.537773 9.727316 
1 1 1  -35    6    8 o  130.701   5.5611  116.523   9.7669  116.696   13.005  116.298   14.792  130.867   7.3333  130.534   8.3621 0.3334045 11.12215 
1 1 1  -35    6    9 f  178.971   5.4217  218.501   12.921  219.159   16.801  217.549   20.217  179.403   6.9106  178.539   8.3559 0.8634338 10.84333 
1 1 1  -35    6   10 o  152.597   5.6846  162.930   11.443  185.713   15.298  133.995   17.240  165.160   6.8352  140.033   9.0852 25.12625 11.36925 
1 1 1  -35    6   11 o  235.598   5.2304  383.693   14.998  391.030   17.771  365.535   27.957  239.865   5.4672  231.330   8.9183 8.535233 10.46070 
1 1 1  -35    6   12 o  258.986   5.3249  457.833   16.740  458.781   19.714  455.382   31.693  259.799   5.5997  258.173   9.0589 1.625214 10.64985 
1 1 1  -35    6   13 o  209.657   5.1732  306.717   13.241  316.960   15.783  282.374   24.331  215.968   5.3929  203.346   8.8297 12.62256 10.34634 
1 1 1  -35    6   14 o  110.867   5.4546   84.920   7.5508   86.808   9.1183   80.800   13.470  112.988   5.9552  108.746   9.1403 4.241219 10.90915 
1 1 1  -35    6   15 o  157.331   5.1857  173.569   10.010  180.953   12.002  156.695   18.142  163.180   5.4275  151.481   8.8380 11.69876 10.37147 
1 1 1  -35    6   16 f  113.093   6.0436   86.978   9.2623   86.978   9.2623   0.0000   0.0000  113.093   6.0436  ?   ?       ?      ? 
1 1 1  -35    6   17 o  179.668   5.5404  219.393   13.490  219.393   13.490   0.0000   0.0000  179.668   5.5404  ?   ?       ?      ? 
1 1 1  -35    6   18 o  172.106   5.1303  203.819   10.920  206.920   13.068  196.639   19.884  174.487   5.5265  169.724   8.6452 4.762817 10.26067 
1 1 1  -35    6   19 o  102.956   5.5575   70.047   7.3024   66.012   8.8245   78.812   13.006   98.489   6.6118  107.422   8.9346 -8.932892 11.11501 
1 1 1  -35    6   20 o  157.471   5.2389  172.414   10.220  177.890   12.299  160.199   18.368  161.777   5.6101  153.164   8.8494 8.612442 10.47786 
1 1 1  -35    6   21 o  111.230   5.5104   80.779   7.8422   74.249   9.4633   95.093   14.011  104.447   6.6860  118.013   8.7612 -13.56579 11.02090 
1 1 1  -35    6   22 o  204.387   5.2150  283.928   13.173  282.962   15.679  286.246   24.288  204.025   5.6710  204.749   8.7536 -0.7231903 10.43003 
1 1 1  -35    6   23 o  260.754   5.8933  468.551   20.150  483.346   25.690  444.896   32.483  266.404   7.1160  255.104   9.3962 11.30002 11.78669 
1 1 1  -35    6   24 o  238.535   5.7824  391.081   18.120  400.645   23.120  375.855   29.174  242.554   7.0340  234.516   9.1798 8.037933 11.56487 
1 1 1  -35    6   25 o  152.441   5.8503  161.172   11.788  172.557   15.416  145.140   18.293  159.166   7.1472  145.716   9.2641 13.45003 11.70067 
1 1 1  -35    6   26 o  189.245   5.6182  241.758   14.081  232.986   17.948  255.800   22.710  184.942   7.1614  193.549   8.6584 -8.606491 11.23631 
1 1 1  -35    6   27 o  124.373   6.2377  107.380   10.329  118.658   13.885   93.406   15.456  131.917   7.7671  116.829   9.7625 15.08837 12.47531 
1 1 1  -35    6   28 o  136.847   6.9250  125.584   12.696  146.186   19.868  111.367   16.505  146.106   10.035  127.589   9.5459 18.51757 13.84995 
1 1 1  -35    6   29 o  241.678   4.8435  397.968   15.849  391.846   22.795  403.697   22.051  239.848   7.0132  243.507   6.6824 -3.658813 9.687044 
1 1 1  -35    6   30 o  284.016   5.0251  548.565   19.316  568.914   28.196  530.568   26.516  288.950   7.2008  279.083   7.0112 9.867218 10.05030 
1 1 1  -35    6   31 o  176.596   4.8144  212.879   11.487  204.846   16.711  220.075   15.815  173.390   7.1122  179.803   6.4908 -6.413483 9.628791 
1 1 1  -35    6   32 o  184.717   4.8113  231.989   12.013  237.838   17.723  227.018   16.338  186.839   6.9997  182.595   6.6029 4.243835 9.622614 
1 1 1  -35    6   33 o  241.641   4.8881  397.350   15.984  406.128   23.321  389.573   21.951  244.129   7.0494  239.154   6.7734 4.975449 9.776112 
1 1 1  -35    6   34 o  269.059   6.2286  491.649   21.414  485.088   26.159  504.980   37.288  266.750   7.2365  271.368   10.140 -4.617676 12.45710 
1 1 1  -35    6   35 o  267.905   5.0209  489.165   18.215  491.503   26.296  487.009   25.254  268.491   7.2274  267.319   6.9714 1.172119 10.04170 
1 1 1  -35    6   36 o  184.878   4.9603  233.258   12.407  227.537   17.933  238.511   17.183  182.664   7.2445  187.092   6.7774 -4.427933 9.920514 
1 1 1  -35    6   37 o  237.369   6.8952  384.059   22.179   0.0000   0.0000  384.059   22.179  ?   ?   237.369   6.8952      ?      ? 
1 1 1  -35    6   38 o  211.798   4.9569  305.186   14.209  320.472   20.732  291.644   19.514  216.779   7.0572  206.817   6.9626 9.961990 9.913723 
1 1 1  -35    6   39 o  212.654   4.9785  307.971   14.332  318.471   20.854  298.575   19.729  216.066   7.1225  209.241   6.9578 6.825745 9.956941 
1 1 1  -35    6   40 o  220.053   6.1882  328.378   17.139  340.260   30.781  323.039   20.633  222.494   10.209  217.613   6.9968 4.881042 12.37645 
1 1 1  -35    6   41 f   76.593   10.857   41.906   11.042   55.991   16.080   29.339   15.189   89.786   13.216   63.399   17.229 26.38703 21.71391 
1 1 1  -35    6   42 o  124.511   5.6076  106.394   9.4280   98.893   13.567  113.400   13.111  120.192   8.3296  128.830   7.5101 -8.637688 11.21529 
1 1 1  -35    6   43 o  204.538   5.8786  286.765   15.810  287.649   20.090  285.326   25.626  205.217   7.2240  203.859   9.2762 1.358215 11.75723 
1 1 1  -35    6   44 f  197.858   6.9423  270.772   18.485  254.583   27.281  284.513   25.135  192.153   10.477  203.564   9.1115 -11.41115 13.88459 
1 1 1  -35    6   45 o  179.165   7.0524  222.598   16.964  207.992   25.255  234.607   22.899  173.540   10.739  184.790   9.1444 -11.25015 14.10470 
1 1 1  -35    6   46 o  100.817   6.3314   70.379   8.5672   64.817   12.704   75.018   11.602   97.021   9.6626  104.613   8.1842 -7.592499 12.66287 
1 1 1  -35    6   47 o  128.616   5.6323  114.340   9.7311  101.712   14.155  125.656   13.400  121.707   8.5824  135.525   7.2961 -13.81824 11.26463 
1 1 1  -35    6   48 o  155.747   5.2533  166.613   11.044  158.692   16.106  173.641   15.172  152.157   7.8112  159.337   7.0268 -7.179962 10.50666 
1 1 1  -35    6   49 o  171.065   5.2113  199.882   12.046  207.342   17.845  193.637   16.327  173.939   7.5706  168.191   7.1636 5.747467 10.42267 
1 1 1  -35    6   50 o  167.353   6.8428  197.395   14.459  205.043   17.722  182.169   25.006  172.926   7.5626  161.780   11.406 11.14655 13.68559 
1 1 1  -35    6   51 o  121.325   7.3230  100.175   11.440   96.134   14.009  108.262   19.817  118.122   8.7520  124.529   11.743 -6.406479 14.64602 
1 1 1  -35    6   52 o   47.257   11.106   15.395   7.7905   13.424   15.112   16.108   9.0916   47.357   17.619   47.156   13.525 0.2001686 22.21174 
1 1 1  -35    6   53 o  137.640   7.4018  142.352   12.092  107.851   21.788  157.710   14.537  123.639   13.004  151.641   7.0741 -28.00272 14.80356 
1 1 1  -35    6   54 o  160.596   5.2306  177.697   11.336  170.967   16.613  183.560   15.507  157.625   7.7777  163.567   6.9960 -5.941483 10.46118 
1 1 1  -35    6   55 o  131.442   5.5609  118.618   9.8595  123.187   14.776  114.951   13.238  133.632   8.1593  129.251   7.5578 4.380844 11.12176 
1 1 1  -35    6   56 o  127.521   5.6296  111.950   9.6849  114.693   14.466  109.722   13.038  128.838   8.2856  126.203   7.6235 2.634865 11.25916 
1 1 1  -35    6   57 o  159.166   5.2860  175.665   11.327  158.799   16.398  191.056   15.664  151.627   7.9804  166.705   6.9338 -15.07747 10.57193 
1 1 1  -35    6   58 o  140.615   5.4695  136.666   10.377  135.338   15.364  137.780   14.071  139.855   8.1067  141.375   7.3447 -1.519562 10.93904 
1 1 1  -35    6   59 o  149.316   5.4293  155.112   10.910  139.140   15.764  169.794   15.114  141.679   8.2105  156.954   7.1060 -15.27429 10.85857 
1 1 1  -35    6   60 o  144.063   6.5803  145.287   11.941  144.266   21.132  145.766   14.473  142.867   10.915  145.259   7.3527 -2.391144 13.16063 
1 1 1  -35    6   61 o  190.033   6.0138  246.394   15.084  230.271   19.019  273.731   24.766  182.287   7.6994  197.779   9.2403 -15.49219 12.02760 
1 1 1  -35    6   62 o  128.671   7.9044  119.291   13.455  110.209   20.921  125.698   17.570  123.674   12.483  133.668   9.7000 -9.993828 15.80875 
1 1 1  -35    6   63 o   34.026   9.4441   5.3772   6.5426   1.0702   9.8520   8.7752   8.7508   30.983   13.239   37.069   13.472 -6.086044 18.88823 
1 1 1  -35    6   64 o  110.845   6.7580   86.782   9.9644   87.021   12.944   86.434   15.612  111.469   8.5688  110.220   10.453 1.248077 13.51591 
1 1 1  -35    6   65 o   82.709   10.086   48.642   11.305   48.642   11.305   0.0000   0.0000   82.709   10.086  ?   ?       ?      ? 
1 1 1  -35    6   66 o  104.456   6.9415   75.495   9.5330   69.390   11.919   86.336   15.882   99.210   8.8653  109.702   10.684 -10.49213 13.88292 
1 1 1  -35    6   67 o   94.680   7.1655   60.961   8.9529   46.807   11.363   84.133   14.539   80.779   10.380  108.582   9.8809 -27.80262 14.33107 
1 1 1  -35    6   68 o  120.686   6.4921  102.795   10.376  100.356   13.275  106.625   16.633  119.419   8.2032  121.952   10.065 -2.533661 12.98426 
1 1 1  -35    6   69 o  109.243   6.9428   86.576   9.9159   90.042   12.660   81.075   15.949  112.977   8.2693  105.509   11.155 7.468178 13.88566 
1 1 1  -35    6   70 o   76.235   10.728   45.499   10.573   50.105   16.480   42.277   13.782   78.980   15.948   73.490   14.354 5.489197 21.45604 
1 1 1  -35    6   71 o  133.727   7.7440  129.287   13.901  141.013   21.484  120.843   18.231  138.430   11.453  129.025   10.427 9.404770 15.48806 
1 1 1  -35    6   72 f   63.190   11.570   32.192   9.8365   38.625   15.666   28.006   12.638   67.883   17.053   58.497   15.640 9.385929 23.13911 
1 1 1  -35    6   73 o  132.788   10.122  128.139   18.215   0.0000   0.0000  128.139   18.215  ?   ?   132.788   10.122      ?      ? 
1 1 1  -35    6   74 o   58.336   15.550   28.103   12.516   0.0000   0.0000   28.103   12.516  ?   ?    58.336   15.550      ?      ? 
1 1 1  -35    6   75 o   68.968   14.483   38.265   13.105   0.0000   0.0000   38.265   13.105  ?   ?    68.968   14.483      ?      ? 
1 1 1  -35    6   76 o   41.105   15.426   12.300   11.633   0.0000   0.0000   12.300   11.633  ?   ?    41.105   15.426      ?      ? 
1 1 1  -35    6   77 o   59.026   15.894   29.497   12.997   0.0000   0.0000   29.497   12.997  ?   ?    59.026   15.894      ?      ? 
1 1 1  -35    7    1 o   93.957   5.9356   60.200   7.5445   55.701   10.377   65.246   10.988   90.234   8.4862   97.681   8.3012 -7.446342 11.87117 
1 1 1  -35    7    2 o   82.969   6.4370   46.933   7.2151   42.166   9.8701   52.405   10.574   78.446   9.2846   87.491   8.9181 -9.044777 12.87392 
1 1 1  -35    7    3 f  271.868   4.7916  503.557   17.542  505.412   26.349  502.080   23.509  272.229   7.1424  271.506   6.3895 0.7231445 9.583293 
1 1 1  -35    7    4 o  250.737   4.7208  428.588   15.938  426.318   23.892  430.408   21.394  250.059   7.0506  251.416   6.2794 -1.357803 9.441533 
1 1 1  -35    7    5 o  301.072   4.9839  617.818   20.254  619.208   30.018  616.655   27.441  301.302   7.3518  300.841   6.7310 0.4609680 9.967703 
1 1 1  -35    7    6 o  133.482   4.7558  120.452   8.4578  126.383   13.372  116.496   10.919  136.142   7.2481  130.823   6.1593 5.318817 9.511664 
1 1 1  -35    7    7 o  203.970   5.3960  282.286   14.691  275.101   19.079  292.751   23.025  200.910   7.0078  207.031   8.2071 -6.120621 10.79193 
1 1 1  -35    7    8 o  327.209   5.7676  735.347   22.897  740.740   26.998  721.527   43.218  329.933   6.0383  324.485   9.8285 5.448700 11.53522 
1 1 1  -35    7    9 o  369.230   6.1564  939.364   27.492  948.773   32.377  915.050   52.049  373.312   6.4001  365.147   10.519 8.164917 12.31281 
1 1 1  -35    7   10 o  386.377   6.3203  1023.69   29.475  1027.21   34.612  1014.41   56.228  388.395   6.5760  384.358   10.795 4.037292 12.64051 
1 1 1  -35    7   11 o  231.488   6.6691  365.281   20.646  375.871   32.088  357.801   26.970  234.166   10.112  228.811   8.6979 5.354568 13.33814 
1 1 1  -35    7   12 o  157.168   6.6223  167.183   13.769  177.429   22.289  160.859   17.510  160.871   10.224  153.465   8.4195 7.406265 13.24459 
1 1 1  -35    7   13 o  228.281   5.5203  359.257   16.525  371.332   21.082  340.019   26.611  233.519   6.6619  223.043   8.8041 10.47610 11.04057 
1 1 1  -35    7   14 o  233.695   5.5798  376.993   17.077  390.879   21.768  354.767   27.539  239.582   6.7048  227.807   8.9208 11.77458 11.15950 
1 1 1  -35    7   15 o   96.461   6.3148   65.114   7.9928   71.025   10.399   56.579   12.495  102.062   7.5187   90.859   10.148 11.20278 12.62956 
1 1 1  -35    7   16 o  269.947   5.7971  503.350   20.524  522.748   26.230  472.720   32.960  277.008   6.9875  262.885   9.2520 14.12338 11.59417 
1 1 1  -35    7   17 o  255.691   5.7316  447.698   19.169  452.012   24.207  440.444   31.392  257.597   6.9344  253.785   9.1280 3.811752 11.46329 
1 1 1  -35    7   18 o  250.900   5.7192  428.084   19.446  428.084   19.446   0.0000   0.0000  250.900   5.7192  ?   ?       ?      ? 
1 1 1  -35    7   19 o  273.495   5.5326  516.866   18.514  526.011   22.007  494.720   34.248  278.098   5.8395  268.892   9.3988 9.206268 11.06517 
1 1 1  -35    7   20 o  105.035   5.6542   73.572   7.6063   70.263   9.2478   80.491   13.374  101.577   6.7183  108.493   9.0963 -6.915398 11.30832 
1 1 1  -35    7   21 o  243.978   5.3723  410.684   16.128  417.555   19.239  394.440   29.582  247.790   5.7295  240.167   9.0895 7.622971 10.74458 
1 1 1  -35    7   22 o  226.302   5.2397  347.302   14.683  344.630   17.483  353.697   27.047  225.112   5.7311  227.492   8.7735 -2.379745 10.47949 
1 1 1  -35    7   23 o  143.621   5.3320  140.475   9.6731  140.146   11.719  141.178   17.136  143.523   6.0253  143.718   8.7986 -0.1942596 10.66397 
1 1 1  -35    7   24 o  240.066   5.3113  383.708   15.702  371.339   18.519  415.351   29.619  233.648   5.8488  246.485   8.8674 -12.83690 10.62254 
1 1 1  -35    7   25 o  386.381   6.4383  1023.55   30.042  1026.44   35.284  1015.93   57.282  388.212   6.7070  384.551   10.992 3.660950 12.87666 
1 1 1  -35    7   26 o  377.298   6.3627  968.108   28.932  961.574   33.857  985.796   55.703  375.751   6.6491  378.845   10.850 -3.093994 12.72534 
1 1 1  -35    7   27 o  324.401   5.9138  713.256   23.278  706.271   27.330  731.711   44.423  322.113   6.2611  326.688   10.034 -4.574646 11.82760 
1 1 1  -35    7   28 o  203.796   5.7517  284.477   15.624  288.488   20.421  278.812   24.265  205.684   7.3265  201.907   8.8685 3.777557 11.50335 
1 1 1  -35    7   29 o  117.700   6.4377   95.888   10.140  104.450   13.730   85.615   15.040  123.657   8.1935  111.743   9.9319 11.91422 12.87542 
1 1 1  -35    7   30 o  307.000   5.8331  642.818   21.809  641.364   25.715  646.543   41.167  306.942   6.1821  307.058   9.8934 -0.1163330 11.66614 
1 1 1  -35    7   31 o  255.887   5.0106  446.737   17.363  431.800   24.693  461.345   24.420  251.618   7.2418  260.156   6.9267 -8.538330 10.02117 
1 1 1  -35    7   32 o  273.256   5.0431  509.508   18.662  499.439   26.718  519.100   26.077  270.580   7.2866  275.932   6.9739 -5.352661 10.08614 
1 1 1  -35    7   33 o   87.252   6.2972   52.807   7.3421   46.261   10.864   58.309   9.9610   82.119   9.7629   92.385   7.9564 -10.26653 12.59437 
1 1 1  -35    7   34 o   93.943   7.7102   59.189   9.2537   56.263   11.216   65.427   16.377   90.620   9.1332   97.266   12.425 -6.646126 15.42034 
1 1 1  -35    7   35 o  195.028   6.1223  255.378   15.188  246.347   18.380  274.824   26.970  190.013   7.1381  200.042   9.9488 -10.02888 12.24463 
1 1 1  -35    7   36 o  278.765   5.0896  530.461   19.210  528.529   27.725  532.244   26.641  278.232   7.3533  279.297   7.0388 -1.064819 10.17920 
1 1 1  -35    7   37 o  220.952   4.9454  332.020   14.776  350.099   21.779  316.600   20.114  226.484   7.0961  215.421   6.8900 11.06314 9.890764 
1 1 1  -35    7   38 o  163.080   5.0984  182.106   11.232  173.307   16.287  190.083   15.509  159.254   7.5469  166.907   6.8570 -7.652756 10.19675 
1 1 1  -35    7   39 o  143.153   6.0727  141.161   11.547  144.318   15.016  136.594   18.063  145.292   7.6266  141.014   9.4524 4.277679 12.14543 
1 1 1  -35    7   40 o  182.294   5.8357  224.326   14.084  213.057   17.894  242.673   22.832  176.539   7.4795  188.048   8.9598 -11.50906 11.67133 
1 1 1  -35    7   41 o  280.147   6.1488  535.628   22.513  527.980   28.235  548.979   37.306  277.859   7.4985  282.435   9.7470 -4.576263 12.29765 
1 1 1  -35    7   42 o  173.637   5.1088  206.029   11.982  207.127   17.690  205.098   16.288  174.004   7.5020  173.269   6.9368 0.7345123 10.21761 
1 1 1  -35    7   43 f  206.906   6.8990  292.522   19.344   0.0000   0.0000  292.522   19.344  ?   ?   206.906   6.8990      ?      ? 
1 1 1  -35    7   44 o   88.458   9.4946   64.063   9.2342   38.518   16.697   75.318   11.083   72.071   17.313  104.844   7.8010 -32.77287 18.98914 
1 1 1  -35    7   45 o  102.954   7.5461   73.460   9.5985   73.216   17.614   73.563   11.447  102.374   12.697  103.535   8.1591 -1.160667 15.09221 
1 1 1  -35    7   46 o  207.854   6.2623  300.344   16.423  288.867   28.790  305.879   19.995  204.270   10.401  211.438   6.9783 -7.168839 12.52467 
1 1 1  -35    7   47 o  122.573   8.6096  104.382   14.190   87.634   19.366  123.796   20.850  111.826   12.779  133.319   11.541 -21.49258 17.21926 
1 1 1  -35    7   48 o  227.192   6.4124  343.241   18.609  319.763   22.472  394.467   33.194  215.845   7.6828  238.539   10.269 -22.69400 12.82475 
1 1 1  -35    7   49 o  175.239   6.4305  202.719   14.045  236.010   26.315  189.458   16.608  184.297   10.536  166.182   7.3748 18.11552 12.86098 
1 1 1  -35    7   50 o  196.536   7.5308  268.944   20.048  259.756   28.334  278.156   28.371  193.085   10.829  199.987   10.469 -6.901672 15.06163 
1 1 1  -35    7   51 o  193.624   6.4104  257.761   15.891  254.601   19.466  264.073   27.514  192.492   7.4625  194.756   10.425 -2.263657 12.82073 
1 1 1  -35    7   52 o  174.191   5.1722  208.525   12.171  208.471   17.930  208.571   16.574  174.072   7.6010  174.309   7.0166 -0.2373199 10.34449 
1 1 1  -35    7   53 o  155.385   5.2850  166.555   11.083  161.115   16.266  171.270   15.141  152.886   7.8512  157.883   7.0769 -4.996414 10.56998 
1 1 1  -35    7   54 o  113.567   5.8848   89.021   8.9844   90.433   13.634   87.936   11.945  114.225   8.8081  112.909   7.8066 1.316017 11.76968 
1 1 1  -35    7   55 o  146.809   5.3149  148.188   10.515  152.518   15.816  144.759   14.077  148.608   7.8534  145.009   7.1636 3.599136 10.62983 
1 1 1  -35    7   56 o  109.507   6.7798   83.788   9.9504   84.247   13.166   83.176   15.195  110.103   8.8242  108.911   10.295 1.192719 13.55957 
1 1 1  -35    7   57 o   45.473   11.263   14.236   8.9167   5.8278   14.816   19.012   11.165   40.468   16.691   50.479   15.128 -10.01026 22.52677 
1 1 1  -35    7   58 o   96.381   6.2597   64.030   8.1254   71.606   12.354   58.254   10.787  101.304   8.9994   91.458   8.7033 9.846382 12.51947 
1 1 1  -35    7   59 o  118.317   6.9929   97.677   10.308  100.467   18.756   96.470   12.338  118.671   11.663  117.964   7.7184 0.7075195 13.98575 
1 1 1  -35    7   60 o  150.836   6.4784  159.249   12.288  160.031   21.873  158.888   14.853  150.159   10.749  151.513   7.2342 -1.353622 12.95677 
1 1 1  -35    7   61 o  110.622   6.9586   88.786   10.102  101.213   13.431   72.596   15.330  120.460   8.2278  100.785   11.225 19.67421 13.91725 
1 1 1  -35    7   62 o  104.922   6.9424   78.849   9.6629   83.617   12.709   72.316   14.876  109.253   8.5843  100.591   10.913 8.661949 13.88473 
1 1 1  -35    7   63 o  134.696   6.3103  127.896   11.318  128.855   14.749  126.523   17.650  135.797   8.0146  133.595   9.7493 2.202271 12.62068 
1 1 1  -35    7   64 o   69.724   9.0152   35.555   8.2079   25.418   10.935   48.635   12.422   57.318   14.161   82.130   11.161 -24.81178 18.03049 
1 1 1  -35    7   65 o  103.992   8.7952   76.352   12.394   76.352   12.394   0.0000   0.0000  103.992   8.7952  ?   ?       ?      ? 
1 1 1  -35    7   66 o   48.146   9.0627   18.028   7.3601   30.725   9.6732   0.5705   11.342   64.164   11.550   32.128   13.969 32.03699 18.12536 
1 1 1  -35    7   67 f   78.469   8.4879   46.288   8.5230   48.427   11.008   43.087   13.467   82.174   9.8854   74.764   13.801 7.410271 16.97580 
1 1 1  -35    7   68 o  134.915   7.7261  129.789   13.949  150.571   21.952  115.716   18.064  143.467   11.291  126.364   10.549 17.10287 15.45227 
1 1 1  -35    7   69 o  132.925   7.7755  128.834   13.799  130.909   21.446  127.367   18.026  133.009   11.898  132.841   10.013 0.1674957 15.55110 
1 1 1  -35    7   70 o   28.315   9.2518  -7.9049   7.9853   0.1937   13.251 -12.5225   10.006   33.694   14.861   22.936   11.024 10.75827 18.50354 
1 1 1  -35    7   71 o   99.435   8.7765   73.457   11.713   79.859   18.097   68.843   15.365  102.646   13.010   96.225   11.783 6.421059 17.55300 
1 1 1  -35    7   72 o  133.393   7.9950  133.783   14.159  113.914   20.979  150.405   19.188  122.767   12.610  144.020   9.8316 -21.25298 15.98990 
1 1 1  -35    7   73 o   76.187   14.145   46.083   14.066   0.0000   0.0000   46.083   14.066  ?   ?    76.187   14.145      ?      ? 
1 1 1  -35    7   74 o   52.129   16.148   22.835   12.582   0.0000   0.0000   22.835   12.582  ?   ?    52.129   16.148      ?      ? 
1 1 1  -35    7   75 o   30.303   13.470  -0.6697   11.093   0.0000   0.0000  -0.6697   11.093  ?   ?    30.303   13.470      ?      ? 
1 1 1  -35    7   76 o   46.151   16.257   17.501   12.636   0.0000   0.0000   17.501   12.636  ?   ?    46.151   16.257      ?      ? 
1 1 1  -35    8    1 o  118.711   4.6262   92.353   7.1347  109.288   12.330   83.829   8.7480  126.487   7.1933  110.934   5.8191 15.55276 9.252383 
1 1 1  -35    8    2 o  171.548   4.4436  198.496   10.099  210.448   16.279  191.019   12.876  175.606   6.8410  167.490   5.6729 8.115479 8.887113 
1 1 1  -35    8    3 o  114.250   4.7640   88.336   7.0808   91.572   11.897   86.561   8.8113  115.754   7.5845  112.746   5.7671 3.007553 9.528040 
1 1 1  -35    8    4 o  118.037   5.6703   95.007   8.9897   93.181   11.895   97.439   13.728  116.785   7.5159  119.288   8.4925 -2.502716 11.34068 
1 1 1  -35    8    5 o  101.808   6.0903   70.166   8.3353   64.894   10.977   77.348   12.810   97.379   8.3182  106.238   8.8981 -8.858421 12.18063 
1 1 1  -35    8    6 o   71.912   6.8445   39.287   5.8158   26.877   9.6481   46.371   7.2890   61.345   12.036   82.478   6.5215 -21.13324 13.68906 
1 1 1  -35    8    7 o  156.233   4.7511  163.799   9.2890  159.731   11.106  173.273   16.948  153.234   5.3483  159.232   7.8542 -5.998169 9.502244 
1 1 1  -35    8    8 o  156.694   4.7501  162.815   9.3145  155.910   11.094  179.313   17.148  151.388   5.4076  162.001   7.8110 -10.61331 9.500249 
1 1 1  -35    8    9 o   57.754   7.3597   23.887   5.2568   24.954   6.4551   21.786   9.0577   60.433   7.8822   55.075   12.431 5.358273 14.71931 
1 1 1  -35    8   10 o   49.674   7.9827   17.628   5.0779   17.690   6.3119   17.516   8.5491   49.960   9.6725   49.388   12.702 0.5719643 15.96539 
1 1 1  -35    8   11 o   72.433   6.0711   34.385   5.7043   31.054   6.9769   41.101   9.9070   67.439   7.6343   77.428   9.4420 -9.988625 12.14219 
1 1 1  -35    8   12 o  138.178   5.1396  133.956   8.8702  140.471   10.796  120.421   15.561  143.695   5.5442  132.662   8.6558 11.03258 10.27917 
1 1 1  -35    8   13 o  176.927   5.4828  214.968   12.982  222.207   17.234  205.471   19.739  180.510   7.0454  173.344   8.4028 7.166443 10.96563 
1 1 1  -35    8   14 o  229.307   5.5709  356.349   16.977  345.409   21.810  373.169   27.043  225.037   7.1517  233.577   8.5435 -8.539749 11.14175 
1 1 1  -35    8   15 o  168.862   5.1421  198.693   10.782  205.453   13.009  183.859   19.271  173.790   5.5238  163.933   8.6749 9.857651 10.28428 
1 1 1  -35    8   16 o  135.502   5.2996  127.655   8.9715  131.653   10.867  119.098   15.899  139.095   5.7652  131.910   8.8942 7.185333 10.59923 
1 1 1  -35    8   17 o  285.842   5.5902  568.788   19.586  584.204   23.371  532.414   35.899  292.982   5.8865  278.703   9.5052 14.27930 11.18034 
1 1 1  -35    8   18 o  284.923   5.5235  554.191   19.268  553.955   22.807  554.781   36.016  285.293   5.8991  284.553   9.3399 0.7404480 11.04691 
1 1 1  -35    8   19 o  142.908   5.8584  138.988   11.345  138.988   11.345   0.0000   0.0000  142.908   5.8584  ?   ?       ?      ? 
1 1 1  -35    8   20 o  170.701   5.2072  202.305   11.058  207.974   13.337  189.840   19.777  174.840   5.6292  166.562   8.7620 8.278580 10.41443 
1 1 1  -35    8   21 o  224.931   5.2963  349.959   14.725  357.002   17.638  333.760   26.749  229.061   5.6823  220.801   8.9395 8.259903 10.59262 
1 1 1  -35    8   22 o  178.028   5.2197  219.710   11.619  225.542   14.065  207.175   20.620  182.062   5.7009  173.995   8.7454 8.066803 10.43942 
1 1 1  -35    8   23 o  140.621   5.5000  141.875   9.6191  154.834   11.827  116.552   16.533  150.836   5.7862  130.407   9.3553 20.42894 11.00005 
1 1 1  -35    8   24 o   46.891   9.1849   16.685   6.2438   20.888   7.6593   8.3583   10.780   54.181   10.811   39.602   14.852 14.57973 18.36986 
1 1 1  -35    8   25 o   63.067   8.1866   29.462   6.4006   32.905   7.9875   23.284   10.699   69.353   8.4988   56.782   13.995 12.57164 16.37322 
1 1 1  -35    8   26 o   44.313   9.2014   14.217   6.0797   17.835   7.7889   8.5752   9.7264   49.867   11.723   38.759   14.185 11.10814 18.40273 
1 1 1  -35    8   27 o  155.412   5.4270  169.911   10.603  179.358   13.001  151.150   18.321  162.309   5.9109  148.514   9.1035 13.79504 10.85409 
1 1 1  -35    8   28 o  149.557   5.4343  154.569   10.321  158.052   12.648  147.626   17.856  152.331   6.1272  146.783   8.9768 5.548111 10.86852 
1 1 1  -35    8   29 o   70.216   8.3502   34.497   7.7817   32.769   10.818   36.349   11.202   67.854   12.214   72.579   11.390 -4.725471 16.70043 
1 1 1  -35    8   30 o   91.761   6.5176   59.150   7.6327   62.310   9.4854   53.346   12.856   95.527   7.3274   87.995   10.781 7.531868 13.03522 
1 1 1  -35    8   31 o  117.090   5.9247   95.156   8.8559   97.932   10.929   89.849   15.113  119.823   6.7306  114.356   9.7524 5.467522 11.84947 
1 1 1  -35    8   32 o  113.842   6.0589   91.263   8.7659   96.668   10.868   81.200   14.830  119.038   6.7370  108.646   10.072 10.39241 12.11782 
1 1 1  -35    8   33 o  183.178   5.3859  228.916   12.445  228.110   15.056  230.656   22.111  182.964   6.0726  183.391   8.8969 -0.4260864 10.77179 
1 1 1  -35    8   34 o  112.104   6.8458   89.051   9.9770   98.077   12.864   75.428   15.805  119.719   7.9292  104.488   11.162 15.23176 13.69170 
1 1 1  -35    8   35 o  141.172   7.6691  136.320   14.672  136.320   14.672   0.0000   0.0000  141.172   7.6691  ?   ?       ?      ? 
1 1 1  -35    8   36 o  196.163   8.9983  264.236   23.920   0.0000   0.0000  264.236   23.920  ?   ?   196.163   8.9983      ?      ? 
1 1 1  -35    8   37 o  195.049   4.9715  260.685   13.099  247.669   18.980  272.523   18.101  190.308   7.3596  199.790   6.6859 -9.481110 9.943050 
1 1 1  -35    8   38 o  176.184   4.9760  211.828   11.844  216.235   17.520  208.118   16.074  177.817   7.2706  174.550   6.7956 3.267548 9.951977 
1 1 1  -35    8   39 o  103.758   5.9114   74.053   8.2478   72.321   12.375   75.437   11.063  102.577   8.9025  104.940   7.7797 -2.363068 11.82275 
1 1 1  -35    8   40 o  151.117   5.1747  156.728   10.534  151.877   15.636  160.760   14.254  148.879   7.7502  153.356   6.8588 -4.477707 10.34932 
1 1 1  -35    8   41 o  141.967   5.3870  139.586   10.241  125.238   15.180  151.571   13.873  135.053   8.2944  148.882   6.8762 -13.82928 10.77404 
1 1 1  -35    8   42 o  190.555   5.0704  247.956   13.049  255.931   19.388  241.351   17.642  193.285   7.4021  187.825   6.9314 5.459839 10.14078 
1 1 1  -35    8   43 o  165.918   5.1872  187.883   11.616  196.569   17.370  180.856   15.623  169.313   7.5704  162.523   7.0935 6.790543 10.37449 
1 1 1  -35    8   44 o  271.626   6.4502  508.591   21.942  509.932   39.405  507.987   26.417  270.957   10.732  272.295   7.1591 -1.337830 12.90045 
1 1 1  -35    8   45 o  164.132   6.8914  184.497   15.328   0.0000   0.0000  184.497   15.328  ?   ?   164.132   6.8914      ?      ? 
1 1 1  -35    8   46 o   73.009   9.6377   38.256   8.3339   38.553   15.870   38.143   9.7929   71.815   16.634   74.202   9.7389 -2.386681 19.27534 
1 1 1  -35    8   47 o  108.006   5.8579   80.546   8.5107   78.921   12.759   81.849   11.423  106.905   8.8073  109.107   7.7260 -2.201599 11.71575 
1 1 1  -35    8   48 o  126.375   5.5042  110.695   9.3480  101.801   13.770  118.297   12.731  121.483   8.3643  131.268   7.1570 -9.784935 11.00839 
1 1 1  -35    8   49 o  104.310   6.0658   75.169   8.5049   75.356   12.872   75.025   11.331  104.296   9.1073  104.325   8.0146 -0.2899170E-01 12.13168 
1 1 1  -35    8   50 o  120.452   7.4155  106.857   11.274  121.164   14.270   83.094   18.390  132.544   7.9445  108.359   12.524 24.18501 14.83108 
1 1 1  -35    8   51 o  107.142   6.1771   79.116   8.9277   90.510   13.114   69.275   12.188  114.366   8.4619   99.917   9.0012 14.44830 12.35419 
1 1 1  -35    8   52 o   46.024   10.915   14.120   9.1713  -1.8125   15.095   23.443   11.547   36.145   15.905   55.903   14.951 -19.75795 21.82942 
1 1 1  -35    8   53 o  101.023   8.5142   70.797   11.656   0.0000   0.0000   70.797   11.656  ?   ?   101.023   8.5142      ?      ? 
1 1 1  -35    8   54 o  153.078   6.7528  164.434   13.465  166.295   16.938  161.237   22.197  154.930   8.0674  151.227   10.831 3.702957 13.50567 
1 1 1  -35    8   55 o  103.963   7.6150   72.997   10.284   65.401   12.597   88.176   17.808   96.634   9.6195  111.292   11.808 -14.65755 15.23000 
1 1 1  -35    8   56 o  112.773   5.8589   87.959   8.9255   94.541   13.282   82.540   12.052  116.555   8.4094  108.990   8.1601 7.564919 11.71771 
1 1 1  -35    8   57 f   46.740   9.7951   16.101   6.6569   18.935   9.8705   13.736   9.0161   50.105   13.997   43.374   13.706 6.730309 19.59014 
1 1 1  -35    8   58 o  115.489   6.6494   92.783   10.229   88.618   13.180   99.090   16.221  112.591   8.6386  118.386   10.111 -5.794792 13.29874 
1 1 1  -35    8   59 o  121.091   7.8267  105.759   12.691   96.121   18.839  113.767   17.173  115.411   12.046  126.770   9.9964 -11.35857 15.65337 
1 1 1  -35    8   60 o  118.786   6.7753  101.942   10.579  111.727   13.866   88.310   16.366  126.469   8.0904  111.103   10.870 15.36630 13.55068 
1 1 1  -35    8   61 o  103.019   7.0254   76.266   9.5506   79.630   12.378   71.315   15.014  106.473   8.5785   99.565   11.128 6.908066 14.05084 
1 1 1  -35    8   62 o   93.530   11.286   63.239   14.304   0.0000   0.0000   63.239   14.304  ?   ?    93.530   11.286      ?      ? 
1 1 1  -35    8   63 o  102.235   6.8568   71.495   9.3025   56.895   11.900   94.436   14.917   89.281   9.8356  115.188   9.5562 -25.90710 13.71351 
1 1 1  -35    8   64 o   44.217   13.883   14.902   9.2645   14.902   9.2645   0.0000   0.0000   44.217   13.883  ?   ?       ?      ? 
1 1 1  -35    8   65 o   78.697   9.8325   44.415   10.486   44.415   10.486   0.0000   0.0000   78.697   9.8325  ?   ?       ?      ? 
1 1 1  -35    8   66 o   42.708   10.717   12.933   8.4523   2.9465   13.333   19.643   10.929   35.684   15.329   49.733   14.982 -14.04834 21.43395 
1 1 1  -35    8   67 o   72.752   10.603   44.386   10.150   28.500   15.536   56.218   13.407   58.003   17.939   87.501   11.307 -29.49784 21.20532 
1 1 1  -35    8   68 o   45.410   11.149   12.916   8.8575   26.931   14.143   3.8711   11.362   56.673   17.036   34.147   14.388 22.52608 22.29853 
1 1 1  -35    8   69 o   46.938   11.587   17.460   9.0128   16.664   14.085   18.012   11.729   46.450   17.059   47.426   15.685 -0.9754410 23.17434 
1 1 1  -35    8   70 o   91.775   9.7849   67.069   11.395   51.149   16.735   80.831   15.560   78.806   16.211  104.743   10.962 -25.93734 19.56978 
1 1 1  -35    8   71 o   85.026   10.074   57.540   11.130   50.977   16.552   62.958   15.038   78.583   16.085   91.469   12.132 -12.88613 20.14702 
1 1 1  -35    8   72 o   50.674   16.170   21.478   12.526   0.0000   0.0000   21.478   12.526  ?   ?    50.674   16.170      ?      ? 
1 1 1  -35    8   73 o   96.340   12.142   70.331   15.852   0.0000   0.0000   70.331   15.852  ?   ?    96.340   12.142      ?      ? 
1 1 1  -35    8   74 o   72.780   14.741   43.268   14.040   0.0000   0.0000   43.268   14.040  ?   ?    72.780   14.741      ?      ? 
1 1 1  -35    8   75 o   44.604   16.376   16.055   12.977   0.0000   0.0000   16.055   12.977  ?   ?    44.604   16.376      ?      ? 
1 1 1  -35    8   76 o   66.422   16.271   38.227   14.530   0.0000   0.0000   38.227   14.530  ?   ?    66.422   16.271      ?      ? 
1 1 1  -35    9    1 o  141.272   4.5855  144.496   8.1557  110.499   13.355  164.714   10.299  126.980   7.7613  155.564   4.8855 -28.58332 9.170934 
1 1 1  -35    9    2 o  142.003   5.3274  138.659   10.119  167.158   14.515  111.706   14.115  156.391   6.8487  127.615   8.1620 28.77575 10.65476 
1 1 1  -35    9    3 o  200.914   4.5129  277.759   12.011  264.343   18.855  286.921   15.581  196.629   7.0760  205.199   5.6033 -8.569077 9.025858 
1 1 1  -35    9    4 o   62.436   7.2961   32.258   5.0021   18.159   9.2354   38.111   5.9504   50.103   13.358   74.770   5.8727 -24.66685 14.59216 
1 1 1  -35    9    5 o  102.478   5.0017   70.829   6.6323   74.935   11.328   68.688   8.1811  104.585   7.9930  100.370   6.0148 4.215088 10.00331 
1 1 1  -35    9    6 o  103.610   5.6648   73.136   7.9538   73.136   7.9538   0.0000   0.0000  103.610   5.6648  ?   ?       ?      ? 
1 1 1  -35    9    7 o  119.146   4.7682   97.426   7.2762   98.501   8.9629   95.349   12.461  120.266   5.4995  118.027   7.7908 2.239372 9.536322 
1 1 1  -35    9    8 o  184.841   4.8366  236.456   11.187  241.826   13.536  224.881   19.871  188.481   5.2994  181.201   8.0924 7.280457 9.673201 
1 1 1  -35    9    9 o   94.884   5.4624   63.582   6.5338   67.578   8.0497   55.867   11.186   99.579   5.9653   90.189   9.1524 9.390030 10.92476 
1 1 1  -35    9   10 o  245.103   5.3099  428.131   16.035  456.739   19.429  367.020   28.396  258.993   5.5357  231.213   9.0628 27.77983 10.61976 
1 1 1  -35    9   11 o  180.232   4.8731  221.022   11.040  219.777   13.309  223.769   19.769  179.672   5.4662  180.792   8.0691 -1.119705 9.746248 
1 1 1  -35    9   12 o  148.610   4.8865  149.717   9.1793  147.876   11.101  153.697   16.323  147.372   5.5586  149.847   8.0383 -2.475357 9.773019 
1 1 1  -35    9   13 f  183.993   4.9722  233.494   11.409  237.285   13.744  225.092   20.462  186.705   5.4323  181.281   8.3296 5.424072 9.944453 
1 1 1  -35    9   14 o  237.495   5.5954  382.996   17.657  371.636   22.681  400.472   28.131  233.263   7.1752  241.727   8.5878 -8.464447 11.19076 
1 1 1  -35    9   15 o  257.589   5.1813  430.356   16.301  402.944   18.998  506.849   31.736  243.237   5.7637  271.942   8.6118 -28.70554 10.36260 
1 1 1  -35    9   16 o  129.927   5.6045  115.353   9.7357  114.642   12.751  116.348   15.075  129.547   7.2636  130.307   8.5372 -0.7592926 11.20906 
1 1 1  -35    9   17 o  136.466   5.2393  129.779   9.0208  134.581   11.035  120.106   15.662  140.570   5.7929  132.361   8.7318 8.208694 10.47867 
1 1 1  -35    9   18 o  146.112   5.2022  147.735   9.5040  150.884   11.488  140.906   16.917  148.854   5.6954  143.370   8.7072 5.483353 10.40444 
1 1 1  -35    9   19 o  108.249   6.4414   79.907   9.4490   79.907   9.4490   0.0000   0.0000  108.249   6.4414  ?   ?       ?      ? 
1 1 1  -35    9   20 o  258.850   5.7759  456.344   20.261  456.344   20.261   0.0000   0.0000  258.850   5.7759  ?   ?       ?      ? 
1 1 1  -35    9   21 o  228.143   5.2739  354.431   14.910  352.528   17.777  358.947   27.382  227.508   5.7660  228.777   8.8323 -1.268661 10.54781 
1 1 1  -35    9   22 o  186.230   5.2284  237.933   12.227  239.508   14.773  234.507   21.783  187.515   5.8138  184.945   8.6915 2.569809 10.45674 
1 1 1  -35    9   23 o  146.727   5.4916  154.389   10.124  169.649   12.583  126.379   17.048  157.802   5.8844  135.653   9.2739 22.14955 10.98322 
1 1 1  -35    9   24 f  175.490   5.3396  218.594   11.764  234.452   14.485  187.878   20.160  185.525   5.7615  165.454   8.9916 20.07133 10.67913 
1 1 1  -35    9   25 o  239.325   5.3792  394.400   16.070  398.775   19.347  384.668   28.857  241.920   5.9014  236.729   8.9954 5.190582 10.75841 
1 1 1  -35    9   26 o  104.834   6.2453   75.327   8.7650   74.860   11.521   75.969   13.506  104.549   8.1316  105.119   9.4811 -0.5698090 12.49051 
1 1 1  -35    9   27 o  170.795   5.6447  202.403   12.749  213.641   16.604  186.265   19.898  176.867   6.9278  164.723   8.9139 12.14490 11.28948 
1 1 1  -35    9   28 o  101.414   6.4055   69.919   8.7463   64.511   11.592   77.066   13.327   96.944   8.8239  105.885   9.2877 -8.940712 12.81098 
1 1 1  -35    9   29 o   96.127   7.9550   62.977   10.132   68.583   16.402   59.519   12.884   99.357   12.182   92.897   10.234 6.460297 15.90998 
1 1 1  -35    9   30 o   94.880   6.2302   60.379   7.8078   55.810   9.8391   68.149   12.831   90.250   8.0449   99.509   9.5152 -9.258621 12.46037 
1 1 1  -35    9   31 o   78.456   6.9471   41.377   7.1964   38.098   9.0585   46.987   11.849   74.455   8.9780   82.457   10.604 -8.001663 13.89418 
1 1 1  -35    9   32 o  199.163   5.3612  270.428   13.423  268.536   16.179  274.605   24.041  198.430   6.0169  199.896   8.8750 -1.466049 10.72239 
1 1 1  -35    9   33 o  152.737   5.5481  161.809   10.802  165.845   13.298  153.977   18.524  155.879   6.2951  149.596   9.1377 6.282990 11.09621 
1 1 1  -35    9   34 o  150.099   5.6810  158.843   10.750  167.374   13.211  142.119   18.496  156.595   6.2254  143.602   9.5047 12.99246 11.36203 
1 1 1  -35    9   35 o  138.737   6.6081  131.527   12.424  131.527   12.424   0.0000   0.0000  138.737   6.6081  ?   ?       ?      ? 
1 1 1  -35    9   36 o  159.084   5.5183  173.536   11.202  173.483   13.711  173.643   19.428  159.371   6.3484  158.796   9.0281 0.5744476 11.03669 
1 1 1  -35    9   37 o   93.671   6.3262   59.769   7.9545   65.132   12.298   55.912   10.430   97.176   9.3391   90.166   8.5360 7.009926 12.65238 
1 1 1  -35    9   38 o  258.051   5.0860  456.464   17.755  450.156   25.771  462.164   24.496  256.262   7.4211  259.840   6.9569 -3.577332 10.17208 
1 1 1  -35    9   39 o  250.398   5.0992  429.695   17.263  429.217   25.271  430.112   23.639  250.171   7.4541  250.625   6.9601 -0.4536743 10.19838 
1 1 1  -35    9   40 o  120.781   7.1787  103.838   10.342   95.241   19.634  107.140   12.167  116.541   12.432  125.021   7.1817 -8.480225 14.35739 
1 1 1  -35    9   41 o  107.666   7.3994   76.388   9.6054   89.920   19.062   71.783   11.120  113.173   12.429  102.160   8.0327 11.01296 14.79885 
1 1 1  -35    9   42 o  215.759   6.1987  317.804   16.587  330.084   30.568  312.680   19.746  217.902   10.352  213.617   6.8213 4.285126 12.39740 
1 1 1  -35    9   43 o  127.959   5.4781  113.590   9.3895  104.851   14.052  120.640   12.621  123.304   8.4096  132.614   7.0227 -9.309738 10.95628 
1 1 1  -35    9   44 o   54.035   10.308   23.321   7.4677   13.733   14.912   26.530   8.6276   47.267   17.518   60.803   10.870 -13.53587 20.61676 
1 1 1  -35    9   45 o   87.380   6.5536   51.807   7.6757   61.865   11.939   44.721   10.021   94.441   9.3288   80.320   9.2071 14.12112 13.10715 
1 1 1  -35    9   46 o   82.255   6.7311   47.088   7.4441   46.468   11.204   47.579   9.9602   81.633   10.128   82.877   8.8685 -1.243568 13.46220 
1 1 1  -35    9   47 o   77.221   10.408   47.265   10.173   29.815   15.957   59.216   13.205   62.473   17.918   91.969   10.595 -29.49520 20.81594 
1 1 1  -35    9   48 o   48.589   10.776   17.392   7.4865   14.048   14.590   18.588   8.7223   46.997   17.346   50.181   12.789 -3.183838 21.55130 
1 1 1  -35    9   49 o   67.247   8.0436   31.791   7.1045   38.849   10.821   26.444   9.4186   74.346   10.741   60.148   11.976 14.19747 16.08724 
1 1 1  -35    9   50 o   79.289   9.0388   46.965   8.9446   50.938   11.322   40.369   14.590   85.332   9.7911   73.247   15.197 12.08448 18.07763 
1 1 1  -35    9   51 o   84.342   6.6811   50.121   7.5299   46.936   11.416   52.573   10.018   81.705   10.311   86.979   8.4992 -5.274445 13.36220 
1 1 1  -35    9   52 o  114.277   5.7927   91.089   8.8786   87.592   13.397   93.828   11.856  112.092   8.8196  116.463   7.5124 -4.371147 11.58534 
1 1 1  -35    9   53 o   91.262   6.3874   58.375   7.8485   56.754   11.681   59.709   10.597   89.927   9.5851   92.597   8.4451 -2.669395 12.77471 
1 1 1  -35    9   54 o  107.969   6.0935   82.525   8.7793   70.145   12.848   93.367   12.024   99.927   9.4882  116.010   7.6485 -16.08294 12.18707 
1 1 1  -35    9   55 o  166.519   6.0704  194.952   13.316  199.033   17.070  188.610   21.282  169.395   7.4364  163.644   9.5969 5.750671 12.14089 
1 1 1  -35    9   56 o   40.796   9.4956   8.5086   7.0745  -2.2467   9.4817   22.015   10.625   27.986   12.446   53.605   14.345 -25.61871 18.99117 
1 1 1  -35    9   57 o   87.693   7.5263   52.528   8.6745   37.939   11.157   74.828   13.794   72.655   11.332  102.731   9.9083 -30.07597 15.05260 
1 1 1  -35    9   58 o  126.350   6.5061  111.965   11.008  107.964   14.397  117.598   17.081  123.989   8.5684  128.711   9.7927 -4.721848 13.01214 
1 1 1  -35    9   59 o  129.455   7.6421  119.494   13.344  130.971   20.090  110.434   17.851  134.842   10.995  124.068   10.617 10.77387 15.28425 
1 1 1  -35    9   60 o   59.620   11.412   27.964   9.4754   34.511   14.273   22.805   12.670   65.681   16.149   53.559   16.130 12.12178 22.82493 
1 1 1  -35    9   61 o   39.216   14.211   10.518   9.7265   10.518   9.7265   0.0000   0.0000   39.216   14.211  ?   ?       ?      ? 
1 1 1  -35    9   62 o   67.814   10.893   33.365   10.010   33.365   10.010   0.0000   0.0000   67.814   10.893  ?   ?       ?      ? 
1 1 1  -35    9   63 o   57.826   10.871   25.331   9.1256   40.787   14.066   14.097   11.992   71.816   14.940   43.835   15.795 27.98044 21.74118 
1 1 1  -35    9   64 o   23.983   11.626 -16.6502   11.724 -16.6502   11.724   0.0000   0.0000   23.983   11.626  ?   ?       ?      ? 
1 1 1  -35    9   65 o   69.113   10.335   39.988   9.6802   22.211   14.392   54.672   13.081   51.930   17.382   86.296   11.186 -34.36571 20.67047 
1 1 1  -35    9   66 f   45.754   11.019   16.478   8.5405   9.6855   13.300   21.243   11.141   40.246   16.099   51.262   15.050 -11.01591 22.03844 
1 1 1  -35    9   67 o   56.732   11.269   25.631   9.0143   34.273   14.155   19.735   11.692   64.189   16.255   49.275   15.611 14.91447 22.53786 
1 1 1  -35    9   68 o   61.985   11.115   32.776   9.5574   24.321   14.530   39.224   12.689   53.466   17.447   70.504   13.775 -17.03801 22.22963 
1 1 1  -35    9   69 f   75.096   10.446   46.736   10.247   33.087   15.145   58.261   13.916   61.889   17.356   88.303   11.630 -26.41369 20.89210 
1 1 1  -35    9   70 o   49.366   11.662   20.504   9.3809   15.389   14.270   24.397   12.449   44.871   17.030   53.861   15.937 -8.989891 23.32342 
1 1 1  -35    9   71 f   56.336   16.153   27.015   12.970   0.0000   0.0000   27.015   12.970  ?   ?    56.336   16.153      ?      ? 
1 1 1  -35    9   72 o  123.647   11.003  114.156   18.437   0.0000   0.0000  114.156   18.437  ?   ?   123.647   11.003      ?      ? 
1 1 1  -35    9   73 o   98.822   12.015   74.572   16.090   0.0000   0.0000   74.572   16.090  ?   ?    98.822   12.015      ?      ? 
1 1 1  -35    9   74 o   70.478   14.878   41.387   13.763   0.0000   0.0000   41.387   13.763  ?   ?    70.478   14.878      ?      ? 
1 1 1  -35    9   75 o   43.081   16.246   15.014   12.933   0.0000   0.0000   15.014   12.933  ?   ?    43.081   16.246      ?      ? 
1 1 1  -35   10    1 o  147.593   6.3418  158.551   11.817  123.890   19.353  179.155   14.921  133.451   10.702  161.735   6.8079 -28.28462 12.68367 
1 1 1  -35   10    2 o  146.667   9.9770  149.054   19.830  149.054   19.830   0.0000   0.0000  146.667   9.9770  ?   ?       ?      ? 
1 1 1  -35   10    3 o  103.354   8.0062   96.759   7.3636   45.857   15.772  110.948   8.3269   79.073   15.272  127.634   4.8143 -48.56039 16.01246 
1 1 1  -35   10    4 f   99.633   5.6675   66.700   7.5660   79.605   11.797   57.682   9.8612  107.627   8.0885   91.639   7.9409 15.98789 11.33500 
1 1 1  -35   10    5 o  136.245   6.5594  135.006   11.183  107.756   18.778  149.985   13.922  124.470   11.133  148.021   6.9404 -23.55034 13.11879 
1 1 1  -35   10    6 o  113.260   5.1803   90.723   7.6905  108.460   10.412   69.432   11.408  126.029   6.0967  100.492   8.3769 25.53770 10.36057 
1 1 1  -35   10    7 o  156.820   6.2529  167.976   13.288  167.976   13.288   0.0000   0.0000  156.820   6.2529  ?   ?       ?      ? 
1 1 1  -35   10    8 o  118.677   6.4824   96.246   10.425   96.246   10.425   0.0000   0.0000  118.677   6.4824  ?   ?       ?      ? 
1 1 1  -35   10    9 o  116.101   5.6798   97.407   8.4119  127.197   11.506   63.205   12.329  136.484   6.2211   95.718   9.5048 40.76553 11.35969 
1 1 1  -35   10   10 o  185.662   5.0564  232.496   12.454  220.093   15.875  252.342   20.081  179.473   6.5273  191.850   7.7241 -12.37747 10.11279 
1 1 1  -35   10   11 f  148.065   5.0698  148.593   10.036  141.667   13.037  158.672   15.726  143.967   6.6822  152.163   7.6263 -8.195877 10.13967 
1 1 1  -35   10   12 o  128.359   5.2419  113.674   9.0139  119.470   12.071  106.368   13.553  132.204   6.7377  124.515   8.0320 7.689064 10.48374 
1 1 1  -35   10   13 o  124.159   5.2449  104.784   8.7693   99.073   11.648  112.256   13.324  120.330   7.1431  127.988   7.6820 -7.658394 10.48985 
1 1 1  -35   10   14 o  160.566   5.2822  178.671   11.265  188.913   14.805  164.588   17.360  166.289   6.5698  154.843   8.2731 11.44681 10.56440 
1 1 1  -35   10   15 o  186.746   6.6111  246.526   16.259  203.864   24.645  279.402   21.634  171.628   10.596  201.865   7.9086 -30.23666 13.22224 
1 1 1  -35   10   16 o  140.861   5.5155  139.041   10.245  153.214   13.495  119.760   15.740  149.745   6.6503  131.978   8.8009 17.76685 11.03101 
1 1 1  -35   10   17 o  204.651   5.3810  287.282   14.566  288.687   18.703  285.117   23.223  205.534   6.7149  203.768   8.4102 1.766449 10.76205 
1 1 1  -35   10   18 o  202.661   5.5337  286.155   14.822  306.499   19.388  257.544   22.993  211.769   6.7560  193.553   8.7661 18.21574 11.06738 
1 1 1  -35   10   19 o  143.635   5.1318  137.071   9.6049  127.146   11.858  156.001   16.377  136.452   6.4130  150.816   8.0133 -14.36392 10.26353 
1 1 1  -35   10   20 f  182.068   5.8518  226.073   14.438  226.073   14.438   0.0000   0.0000  182.068   5.8518  ?   ?       ?      ? 
1 1 1  -35   10   21 o  165.162   5.2293  187.699   10.942  189.446   13.335  184.097   19.146  166.655   5.9046  163.668   8.6324 2.986862 10.45865 
1 1 1  -35   10   22 o  118.515   5.6423   97.883   8.6189  101.710   10.777   91.090   14.358  122.021   6.5173  115.009   9.2125 7.011978 11.28468 
1 1 1  -35   10   23 o  132.357   5.3752  118.955   9.2030  116.480   11.373  123.650   15.664  130.590   6.4266  134.124   8.6180 -3.533554 10.75041 
1 1 1  -35   10   24 o  147.215   5.2437  144.156   9.9840  134.928   12.228  162.612   17.293  140.548   6.4201  153.882   8.2927 -13.33429 10.48746 
1 1 1  -35   10   25 o  189.242   5.2669  247.504   12.655  251.756   15.484  238.951   21.960  192.085   5.9486  186.400   8.6935 5.685684 10.53387 
1 1 1  -35   10   26 o  132.223   5.5336  121.533   9.4694  125.740   11.881  114.205   15.680  135.658   6.4626  128.788   8.9842 6.870544 11.06716 
1 1 1  -35   10   27 o  113.331   5.8552   90.424   8.5930   96.736   10.907   80.097   13.952  118.933   6.7675  107.728   9.5570 11.20438 11.71049 
1 1 1  -35   10   28 o  154.782   5.4275  167.699   10.742  175.404   13.344  153.516   18.105  160.271   6.1439  149.292   8.9490 10.97939 10.85507 
1 1 1  -35   10   29 o  112.481   6.4769   87.332   9.8606   90.038   13.761   84.476   14.137  114.333   8.8815  110.630   9.4298 3.702248 12.95383 
1 1 1  -35   10   30 o  136.687   5.5603  128.370   9.8036  128.612   12.144  127.917   16.612  137.148   6.5340  136.226   8.9987 0.9225006 11.12069 
1 1 1  -35   10   31 o   89.629   6.6889   56.528   7.7439   59.262   9.7380   51.824   12.772   92.917   7.7338   86.342   10.916 6.575920 13.37781 
1 1 1  -35   10   32 o  110.210   6.3658   89.519   8.7705  103.861   11.103   65.717   14.303  123.203   6.6501   97.216   10.857 25.98716 12.73165 
1 1 1  -35   10   33 o  146.614   5.9679  145.470   11.755  126.716   15.487  170.956   18.054  135.662   8.4244  157.565   8.4554 -21.90277 11.93585 
1 1 1  -35   10   34 o  138.390   8.1332  131.769   15.253  131.769   15.253   0.0000   0.0000  138.390   8.1332  ?   ?       ?      ? 
1 1 1  -35   10   35 o   45.290   14.705   14.337   10.326   14.337   10.326   0.0000   0.0000   45.290   14.705  ?   ?       ?      ? 
1 1 1  -35   10   36 o  217.759   5.9481  330.808   17.182  349.182   22.524  305.230   26.574  225.512   7.3704  210.007   9.3379 15.50545 11.89613 
1 1 1  -35   10   37 o  122.639   5.9632  105.314   9.3712  108.913   11.631   98.656   15.820  126.047   6.8096  119.230   9.7914 6.816956 11.92647 
1 1 1  -35   10   38 o  139.579   5.7856  136.211   10.300  140.282   12.709  128.419   17.583  143.090   6.5544  136.068   9.5359 7.022018 11.57123 
1 1 1  -35   10   39 o  150.992   5.5235  154.513   10.673  149.614   13.006  164.614   18.675  147.762   6.4951  154.223   8.9359 -6.460709 11.04699 
1 1 1  -35   10   40 o  100.826   5.9005   70.108   7.9930   71.002   12.153   69.427   10.611  101.271   8.8552  100.381   7.8006 0.8900833 11.80106 
1 1 1  -35   10   41 o  127.878   5.4014  111.533   9.2975  122.286   14.185  103.434   12.311  133.166   7.8603  122.590   7.4105 10.57525 10.80280 
1 1 1  -35   10   42 o  205.100   6.0325  296.557   16.341  321.238   21.455  262.459   25.219  216.021   7.3292  194.179   9.5838 21.84186 12.06509 
1 1 1  -35   10   43 o  199.572   7.1745  280.989   19.131  260.018   28.895  297.356   25.527  192.283   11.089  206.861   9.1061 -14.57755 14.34892 
1 1 1  -35   10   44 o  226.461   6.4444  363.438   17.982  339.782   32.558  373.821   21.570  219.771   10.932  233.152   6.8271 -13.38116 12.88890 
1 1 1  -35   10   45 o  145.844   5.2802  146.915   10.356  145.788   15.601  147.803   13.847  145.174   7.9300  146.514   6.9742 -1.340164 10.56048 
1 1 1  -35   10   46 o   52.155   8.8782   21.140   6.7102   9.6767   10.423   29.255   8.7692   39.713   14.661   64.597   10.018 -24.88417 17.75639 
1 1 1  -35   10   47 o  123.725   5.5061  105.536   9.1874  110.422   13.801  101.648   12.312  126.188   8.0706  121.263   7.4924 4.925377 11.01228 
1 1 1  -35   10   48 o  107.100   6.0220   81.723   8.5106   63.919   12.442   97.376   11.667   95.484   9.6158  118.715   7.2521 -23.23092 12.04395 
1 1 1  -35   10   49 o   56.189   10.467   20.965   8.1089   12.610   9.9765   37.231   13.920   42.437   14.471   69.940   15.127 -27.50273 20.93371 
1 1 1  -35   10   50 f   90.412   7.7502   52.252   8.9961   39.598   10.844   80.193   16.113   74.718   10.709  106.106   11.206 -31.38749 15.50045 
1 1 1  -35   10   51 o   35.724   9.7449   5.8985   6.8369   1.5635   9.1740   11.313   10.253   30.454   12.885   40.994   14.623 -10.54035 19.48975 
1 1 1  -35   10   52 f  110.064   6.6192   85.411   9.7217   86.069   12.732   84.491   15.055  110.948   8.4683  109.179   10.176 1.769249 13.23834 
1 1 1  -35   10   53 o   92.483   7.3480   62.040   8.9580   67.609   11.774   54.384   13.804   98.115   8.8551   86.852   11.729 11.26385 14.69602 
1 1 1  -35   10   54 o   77.886   8.1434   43.246   8.4957   40.537   11.073   47.122   13.247   75.217   10.863   80.556   12.135 -5.339172 16.28679 
1 1 1  -35   10   55 o  149.292   6.1014  155.795   12.078  152.189   15.488  161.392   19.295  147.633   7.7417  150.951   9.4327 -3.318253 12.20287 
1 1 1  -35   10   56 o  116.043   6.5148   91.967   10.046   78.236   12.773  114.238   16.267  105.230   8.9571  126.856   9.4626 -21.62606 13.02961 
1 1 1  -35   10   57 o   54.092   9.8067   21.838   7.2601   16.161   9.4713   29.927   11.305   45.921   13.972   62.264   13.764 -16.34294 19.61341 
1 1 1  -35   10   58 f   57.189   11.085   26.627   8.8869   22.569   13.895   29.437   11.560   52.967   17.044   61.411   14.178 -8.443630 22.17053 
1 1 1  -35   10   59 o   83.710   9.3952   53.647   10.143   49.009   15.600   57.044   13.349   78.902   15.140   88.518   11.129 -9.616112 18.79033 
1 1 1  -35   10   60 o   40.859   10.713   10.102   7.9204   17.584   12.613   5.2306   10.177   47.507   16.271   34.211   13.939 13.29548 21.42518 
1 1 1  -35   10   61 o   54.221   11.090   24.019   8.5929   22.041   13.422   25.393   11.186   51.987   16.754   56.456   14.534 -4.468525 22.17979 
1 1 1  -35   10   62 o   60.560   10.588   30.620   8.9820   19.642   13.422   39.525   12.088   49.398   16.785   71.722   12.912 -22.32367 21.17633 
1 1 1  -35   10   63 o   68.252   15.895   38.128   14.428   38.128   14.428   0.0000   0.0000   68.252   15.895  ?   ?       ?      ? 
1 1 1  -35   10   64 o   42.024   16.218   12.118   13.086   12.118   13.086   0.0000   0.0000   42.024   16.218  ?   ?       ?      ? 
1 1 1  -35   10   65 o   46.383   11.066   15.390   8.7297   26.618   13.264   6.8108   11.595   56.301   16.391   36.465   14.871 19.83519 22.13137 
1 1 1  -35   10   66 o   74.012   10.709   45.891   10.434   32.924   15.670   56.220   13.985   61.454   17.794   86.570   11.921 -25.11532 21.41832 
1 1 1  -35   10   67 o  103.059   11.761   79.693   16.425   0.0000   0.0000   79.693   16.425  ?   ?   103.059   11.761      ?      ? 
1 1 1  -35   10   69 o   36.663   15.635   5.2834   13.692   5.2834   13.692   0.0000   0.0000   36.663   15.635  ?   ?       ?      ? 
1 1 1  -35   10   70 o   66.965   11.750   38.766   10.613   38.934   14.867   38.591   15.154   67.276   16.446   66.654   16.787 0.6218338 23.50005 
1 1 1  -35   10   71 o   52.076   16.300   23.592   12.783   0.0000   0.0000   23.592   12.783  ?   ?    52.076   16.300      ?      ? 
1 1 1  -35   10   72 o   57.691   16.042   29.086   12.996   0.0000   0.0000   29.086   12.996  ?   ?    57.691   16.042      ?      ? 
1 1 1  -35   10   73 o   37.332   15.126   8.9354   11.905   0.0000   0.0000   8.9354   11.905  ?   ?    37.332   15.126      ?      ? 
1 1 1  -35   10   74 o   42.101   16.063   14.430   12.738   0.0000   0.0000   14.430   12.738  ?   ?    42.101   16.063      ?      ? 
1 1 1  -35   11    1 o  129.249   7.2265  114.917   12.657  114.917   12.657   0.0000   0.0000  129.249   7.2265  ?   ?       ?      ? 
1 1 1  -35   11    2 f  183.177   6.9737  230.505   17.311  230.505   17.311   0.0000   0.0000  183.177   6.9737  ?   ?       ?      ? 
1 1 1  -35   11    3 o  125.208   4.5802  110.404   7.1650   99.562   12.564  115.629   8.7225  120.225   7.7116  130.191   4.9440 -9.965988 9.160331 
1 1 1  -35   11    4 o   48.363   7.2877   17.212   3.9201   15.332   8.5416   17.714   4.4121   45.879   13.093   50.846   6.4034 -4.967442 14.57534 
1 1 1  -35   11    5 o   34.647   8.3164   6.8023   4.3065   11.392   8.1706   5.0366   5.0676   40.462   13.075   28.832   10.281 11.63031 16.63276 
1 1 1  -35   11    6 o   45.290   6.4359   14.595   3.8079   12.910   5.1954   16.551   5.5975   42.378   9.3019   48.202   8.8971 -5.824528 12.87180 
1 1 1  -35   11    7 o   71.638   5.0778   34.826   4.8603   32.925   6.2950   37.632   7.6479   69.307   6.7025   73.969   7.6297 -4.662514 10.15559 
1 1 1  -35   11    8 o  148.965   5.3920  151.473   10.885  151.473   10.885   0.0000   0.0000  148.965   5.3920  ?   ?       ?      ? 
1 1 1  -35   11    9 o  139.290   4.7023  135.258   8.4610  141.298   10.623  124.776   13.993  143.871   5.4486  134.709   7.6655 9.162033 9.404608 
1 1 1  -35   11   10 o  167.521   4.8573  199.122   10.308  213.864   12.801  171.942   17.382  177.034   5.3359  158.008   8.1179 19.02620 9.714588 
1 1 1  -35   11   11 o  146.645   4.7268  146.831   8.9529  145.720   11.079  148.922   15.199  146.087   5.5964  147.203   7.6192 -1.115906 9.453651 
1 1 1  -35   11   12 o  113.375   5.0753   89.950   7.4588   94.896   9.4338   81.701   12.182  117.843   5.9074  108.906   8.2545 8.936821 10.15059 
1 1 1  -35   11   13 o  112.419   4.9845   85.123   7.4338   79.600   9.4598   94.040   12.020  107.841   6.4732  116.997   7.5816 -9.155960 9.969057 
1 1 1  -35   11   14 o  162.048   5.2405  190.556   10.724  216.926   13.579  146.843   17.483  178.251   5.6215  145.845   8.8459 32.40558 10.48105 
1 1 1  -35   11   15 o  233.088   5.5556  365.525   17.278  330.478   22.199  419.381   27.518  219.385   7.4669  246.790   8.2283 -27.40451 11.11129 
1 1 1  -35   11   16 o  124.684   5.5580  114.823   8.6683  137.014   11.113   80.334   13.853  141.635   5.7897  107.732   9.4891 33.90314 11.11597 
1 1 1  -35   11   17 o  108.730   5.3141   79.808   7.5987   75.770   9.5443   86.800   12.558  105.186   6.6959  112.273   8.2539 -7.087494 10.62829 
1 1 1  -35   11   18 o   97.936   5.7358   67.116   7.3522   70.819   9.4208   61.348   11.759  101.668   6.8379   94.203   9.2110 7.464951 11.47162 
1 1 1  -35   11   19 o  130.407   4.9992  112.991   8.5299  103.678   10.576  130.323   14.428  123.108   6.3396  137.705   7.7315 -14.59660 9.998372 
1 1 1  -35   11   20 o  226.329   5.7991  349.884   17.786  349.884   17.786   0.0000   0.0000  226.329   5.7991  ?   ?       ?      ? 
1 1 1  -35   11   21 o  167.983   5.1767  195.738   11.082  200.008   13.627  187.397   19.043  171.099   5.8771  164.867   8.5236 6.231934 10.35338 
1 1 1  -35   11   22 o  100.656   6.2258   70.069   8.4752   73.868   11.867   66.113   12.108  103.518   8.4595   97.794   9.1365 5.723419 12.45151 
1 1 1  -35   11   23 o  118.941   5.8122   96.635   9.3226   84.910   12.600  110.820   13.859  110.997   8.3765  126.886   8.0598 -15.88889 11.62437 
1 1 1  -35   11   24 o  128.513   5.9674  114.690   10.309  123.273   14.094  104.813   15.119  133.891   7.7679  123.134   9.0609 10.75670 11.93484 
1 1 1  -35   11   25 o  168.558   5.6012  195.087   12.668  192.490   16.730  198.577   19.393  167.419   7.3740  169.697   8.4332 -2.277832 11.20247 
1 1 1  -35   11   26 o  151.385   5.6815  157.365   11.576  154.132   15.429  161.531   17.511  149.737   7.6035  153.032   8.4441 -3.295349 11.36292 
1 1 1  -35   11   27 o  151.074   5.6538  155.717   11.508  144.256   15.300  170.645   17.461  144.792   7.7979  157.356   8.1886 -12.56416 11.30757 
1 1 1  -35   11   28 o   59.777   8.2682   25.947   6.4665   28.356   8.5777   22.776   9.8421   63.883   9.9083   55.671   13.239 8.212227 16.53646 
1 1 1  -35   11   29 o   43.694   9.9553   13.431   6.6963   12.748   9.9460   13.997   9.0564   43.125   14.450   44.263   13.698 -1.137882 19.91062 
1 1 1  -35   11   30 f   39.319   9.3308   10.322   5.7994   9.4839   7.5758   11.509   9.0133   37.555   12.611   41.083   13.756 -3.527954 18.66168 
1 1 1  -35   11   31 o   39.316   8.7746   10.069   6.0474   17.589   7.9471  -0.2749   9.3206   49.047   12.045   29.586   12.763 19.46126 17.54923 
1 1 1  -35   11   32 o  118.623   5.8982  100.392   8.9440  108.402   11.233   86.519   14.783  125.725   6.5932  111.521   9.7818 14.20459 11.79635 
1 1 1  -35   11   33 o  190.200   5.2701  247.156   12.695  243.836   15.383  254.249   22.482  188.730   6.0146  191.671   8.6557 -2.941071 10.54021 
1 1 1  -35   11   34 o  114.977   6.9638   90.842   10.850   90.842   10.850   0.0000   0.0000  114.977   6.9638  ?   ?       ?      ? 
1 1 1  -35   11   35 o   73.449   9.0036   37.441   8.9616   37.441   8.9616   0.0000   0.0000   73.449   9.0036  ?   ?       ?      ? 
1 1 1  -35   11   36 f   64.176   7.9117   28.253   6.6117   24.130   8.3615   35.132   10.800   57.715   11.094   70.637   11.283 -12.92283 15.82335 
1 1 1  -35   11   37 o  102.377   6.3297   75.111   8.3589   81.903   10.644   64.183   13.502  109.054   7.2025   95.701   10.411 13.35293 12.65948 
1 1 1  -35   11   38 o  111.642   7.5022   87.502   11.192   87.790   17.317   87.295   14.667  111.470   11.464  111.815   9.6799 -0.3455429 15.00434 
1 1 1  -35   11   39 f   98.667   6.3096   67.999   8.1269   68.807   10.251   66.633   13.334   99.816   7.5783   97.517   10.090 2.298622 12.61923 
1 1 1  -35   11   40 o   88.126   6.4155   51.619   7.4737   42.795   9.3997   66.785   12.323   78.420   8.8451   97.831   9.2951 -19.41059 12.83102 
1 1 1  -35   11   41 o   96.302   6.2918   62.302   8.0163   54.567   10.090   75.541   13.201   88.632   8.4005  103.973   9.3689 -15.34117 12.58353 
1 1 1  -35   11   42 o   43.677   9.7362   13.067   6.4454   9.4269   8.3516   18.429   10.136   37.738   13.222   49.617   14.295 -11.87938 19.47231 
1 1 1  -35   11   43 o  106.765   8.0215   76.975   11.310  104.454   18.494   60.556   14.296  121.266   11.254   92.264   11.434 29.00217 16.04305 
1 1 1  -35   11   44 o  172.850   5.1446  208.391   11.944  184.652   17.335  229.846   16.480  163.113   7.8425  182.587   6.6604 -19.47411 10.28911 
1 1 1  -35   11   45 o  151.368   5.1861  157.954   10.588  165.759   15.900  151.736   14.193  154.597   7.5896  148.139   7.0698 6.457703 10.37227 
1 1 1  -35   11   46 o  100.117   6.8997   70.008   9.2824   65.888   12.225   75.617   14.264   96.843   9.3152  103.390   10.181 -6.546761 13.79946 
1 1 1  -35   11   47 o   71.937   8.7226   39.105   8.0346   45.984   10.782   30.517   12.048   80.669   9.8634   63.205   14.389 17.46432 17.44515 
1 1 1  -35   11   48 o   64.224   9.6332   29.972   8.0056   24.283   10.212   39.044   12.895   56.520   13.515   71.927   13.731 -15.40728 19.26643 
1 1 1  -35   11   49 o   83.830   9.8196   49.804   11.155   49.804   11.155   0.0000   0.0000   83.830   9.8196  ?   ?       ?      ? 
1 1 1  -35   11   50 o  116.041   6.3953   92.869   9.8848   84.384   12.653  106.160   15.835  109.644   8.5157  122.438   9.5438 -12.79417 12.79065 
1 1 1  -35   11   51 o   61.229   9.4176   29.432   7.7744   37.426   10.466   19.592   11.612   72.221   10.694   50.238   15.505 21.98349 18.83512 
1 1 1  -35   11   52 o   99.655   6.7903   70.457   9.0122   69.744   11.700   71.497   14.131   99.466   8.6804   99.844   10.444 -0.3783264 13.58070 
1 1 1  -35   11   53 o   28.000   8.6757  -0.6483   6.2894   0.6788   8.3887  -2.3518   9.5044   28.286   12.155   27.714   12.383 0.5725422 17.35150 
1 1 1  -35   11   54 o   57.449   9.2192   26.198   7.3322   34.718   9.8796   15.752   10.940   69.404   10.504   45.493   15.154 23.91071 18.43843 
1 1 1  -35   11   55 o   41.352   9.5484   12.184   6.8164   19.394   9.1874   3.3565   10.166   50.001   13.320   32.703   13.685 17.29821 19.09688 
1 1 1  -35   11   56 o   51.018   9.9635   21.239   8.2693   5.0795   12.909   32.487   10.769   36.785   15.409   65.252   12.636 -28.46614 19.92707 
1 1 1  -35   11   57 o   53.456   14.511   22.731   10.781   0.0000   0.0000   22.731   10.781  ?   ?    53.456   14.511      ?      ? 
1 1 1  -35   11   58 o   44.116   11.227   13.405   8.3613   19.895   13.866   9.6969   10.481   49.729   17.059   38.504   14.599 11.22498 22.45322 
1 1 1  -35   11   59 o   89.589   8.7911   59.667   10.559   63.018   16.302   57.245   13.860   91.207   13.189   87.971   11.626 3.236244 17.58212 
1 1 1  -35   11   60 o  101.797   8.2159   76.366   11.225   80.238   17.244   73.519   14.787  103.497   12.295  100.096   10.901 3.401558 16.43175 
1 1 1  -35   11   61 o   48.262   11.378   18.570   8.6399   21.334   13.346   16.575   11.336   50.771   16.729   45.753   15.426 5.017899 22.75573 
1 1 1  -35   11   62 o   26.949   12.656  -8.8669   11.760  -8.8669   11.760   0.0000   0.0000   26.949   12.656  ?   ?       ?      ? 
1 1 1  -35   11   63 o   80.351   15.045   52.153   15.780   52.153   15.780   0.0000   0.0000   80.351   15.045  ?   ?       ?      ? 
1 1 1  -35   11   64 f   50.779   11.193   21.784   9.1876   11.710   13.967   29.468   12.199   41.753   16.564   59.805   15.061 -18.05229 22.38698 
1 1 1  -35   11   65 o  104.300   8.8149   85.090   11.941   63.132   17.479  104.305   16.351   89.335   14.438  119.266   10.117 -29.93115 17.62977 
1 1 1  -35   11   66 o   81.068   10.440   55.413   10.822   32.941   15.561   76.462   15.060   60.849   17.765  101.287   10.972 -40.43833 20.87982 
1 1 1  -35   11   67 o   41.866   11.081   11.718   9.2541   1.2951   13.310   21.471   12.875   33.689   14.875   50.042   16.428 -16.35319 22.16197 
1 1 1  -35   11   68 o   54.259   11.902   25.861   9.8102   31.317   14.057   20.680   13.697   59.650   16.719   48.867   16.944 10.78284 23.80352 
1 1 1  -35   11   69 o   46.572   11.503   17.020   9.5733   7.2141   13.110   28.224   14.013   37.046   15.524   56.099   16.979 -19.05342 23.00555 
1 1 1  -35   11   70 o   40.994   16.246   12.478   13.423   0.0000   0.0000   12.478   13.423  ?   ?    40.994   16.246      ?      ? 
1 1 1  -35   11   71 o   33.108   14.590   2.2883   12.744   0.0000   0.0000   2.2883   12.744  ?   ?    33.108   14.590      ?      ? 
1 1 1  -35   11   72 o   38.139   15.873   9.3517   13.572   0.0000   0.0000   9.3517   13.572  ?   ?    38.139   15.873      ?      ? 
1 1 1  -35   11   73 o   31.760   14.357  -0.0610   13.199   0.0000   0.0000  -0.0610   13.199  ?   ?    31.760   14.357      ?      ? 
1 1 1  -35   11   74 o   40.536   16.260   13.440   13.608   0.0000   0.0000   13.440   13.608  ?   ?    40.536   16.260      ?      ? 
1 1 1  -35   12    1 o   70.259   9.5797   34.582   9.1209   34.582   9.1209   0.0000   0.0000   70.259   9.5797  ?   ?       ?      ? 
1 1 1  -35   12    2 o   87.224   8.4087   52.868   9.9391   52.868   9.9391   0.0000   0.0000   87.224   8.4087  ?   ?       ?      ? 
1 1 1  -35   12    3 o   98.720   8.1439   67.586   10.895   67.586   10.895   0.0000   0.0000   98.720   8.1439  ?   ?       ?      ? 
1 1 1  -35   12    4 o   60.463   7.0435   26.782   5.1148   24.048   9.1095   28.041   6.1811   57.158   12.136   63.767   7.1530 -6.608143 14.08693 
1 1 1  -35   12    5 f   75.348   4.9604   39.871   4.8940   42.523   6.2987   35.830   7.7743   78.754   5.9020   71.942   7.9743 6.811150 9.920853 
1 1 1  -35   12    6 o  144.945   5.3458  144.947   10.455  163.778   15.073  127.489   14.513  154.130   7.2166  135.759   7.8886 18.37062 10.69155 
1 1 1  -35   12    7 o  120.345   4.5889   98.810   7.2079   96.977   9.0140  102.059   12.003  119.022   5.5887  121.669   7.2801 -2.646667 9.177892 
1 1 1  -35   12    8 o   74.226   5.2775   38.061   5.2541   38.394   6.9713   37.623   7.9943   74.700   6.8866   73.751   7.9989 0.9488754 10.55499 
1 1 1  -35   12    9 o  121.694   5.7203  101.401   9.4335  101.401   9.4335   0.0000   0.0000  121.694   5.7203  ?   ?       ?      ? 
1 1 1  -35   12   10 o  113.757   4.8906   89.966   7.2973   93.099   9.3217   85.007   11.727  116.574   5.9008  110.939   7.8007 5.634956 9.781132 
1 1 1  -35   12   11 o  103.627   4.9444   72.542   6.8268   67.035   8.7570   81.074   10.900   98.802   6.5404  108.451   7.4169 -9.648743 9.888764 
1 1 1  -35   12   12 f  140.947   4.7220  134.050   8.7313  127.262   10.926  146.048   14.525  136.305   5.9149  145.588   7.3623 -9.283020 9.444073 
1 1 1  -35   12   13 o  174.779   4.8487  209.972   10.902  209.921   13.458  210.070   18.594  175.145   5.6701  174.413   7.8669 0.7321777 9.697381 
1 1 1  -35   12   14 o  165.927   4.7316  182.158   10.151  167.392   12.393  212.249   17.692  156.355   5.8492  175.498   7.4391 -19.14307 9.463281 
1 1 1  -35   12   15 o  101.974   5.9973   71.767   8.2686   75.593   12.207   68.524   11.240  104.438   8.6254   99.509   8.3350 4.929359 11.99459 
1 1 1  -35   12   16 o   76.330   5.8761   39.564   6.0075   32.355   7.9555   49.128   9.1636   68.335   8.5910   84.324   8.0192 -15.98940 11.75213 
1 1 1  -35   12   17 o  138.795   5.1437  136.503   9.2188  147.619   11.709  118.377   14.952  146.828   5.8849  130.762   8.4379 16.06535 10.28737 
1 1 1  -35   12   18 o  145.824   4.8159  138.810   9.1468  121.588   11.217  172.980   15.801  133.174   6.2157  158.474   7.3576 -25.29993 9.631724 
1 1 1  -35   12   19 o   76.247   7.1816   44.700   6.5403   58.133   8.6623   26.890   9.9746   91.949   6.9519   60.544   12.569 31.40413 14.36319 
1 1 1  -35   12   20 o   92.690   7.1247   59.120   8.9491   59.120   8.9491   0.0000   0.0000   92.690   7.1247  ?   ?       ?      ? 
1 1 1  -35   12   21 o  159.131   5.1006  175.238   10.452  177.339   12.960  171.327   17.680  160.906   5.9434  157.355   8.2910 3.550797 10.20119 
1 1 1  -35   12   22 o  157.489   5.1092  170.777   10.376  170.782   12.845  170.767   17.603  157.881   6.0037  157.097   8.2688 0.7840271 10.21847 
1 1 1  -35   12   23 o  131.787   5.3263  122.491   9.0830  130.172   11.496  109.728   14.818  137.793   6.1564  125.781   8.6936 12.01203 10.65269 
1 1 1  -35   12   24 o   96.225   5.9806   66.327   7.4563   73.691   9.6124   55.203   11.815  103.524   6.8518   88.925   9.8042 14.59921 11.96120 
1 1 1  -35   12   25 o  117.424   5.3529   93.939   8.2561   90.458   10.380   99.935   13.623  114.733   6.6759  120.114   8.3693 -5.381134 10.70571 
1 1 1  -35   12   26 o  120.652   5.3440  100.167   8.4473   99.352   10.649  101.549   13.873  120.268   6.5341  121.037   8.4580 -0.7692795 10.68793 
1 1 1  -35   12   27 o   71.189   6.8728   35.190   6.5071   34.343   8.3904   36.469   10.308   70.311   8.8059   72.067   10.554 -1.756378 13.74558 
1 1 1  -35   12   28 o  115.965   6.1906   93.562   9.7115   96.499   13.489   90.402   13.993  117.959   8.4387  113.972   9.0599 3.987381 12.38116 
1 1 1  -35   12   29 o  139.978   5.2150  129.654   9.4766  117.244   11.606  154.477   16.415  130.604   6.5576  149.352   8.1105 -18.74799 10.42990 
1 1 1  -35   12   30 o   68.728   7.1957   33.201   6.6022   33.539   8.6603   32.732   10.202   69.357   9.2142   68.098   11.055 1.259758 14.39134 
1 1 1  -35   12   31 o   48.921   9.1557   17.537   6.1248   15.825   8.1058   19.815   9.3507   46.282   12.590   51.560   13.297 -5.277973 18.31130 
1 1 1  -35   12   32 f  104.234   5.7365   73.091   7.9038   65.851   9.9475   85.489   13.017   97.610   7.5204  110.859   8.6646 -13.24979 11.47306 
1 1 1  -35   12   33 o   75.331   9.3240   40.535   9.0075   45.067   14.946   37.951   11.288   77.520   14.767   73.142   11.388 4.378067 18.64797 
1 1 1  -35   12   34 o   56.717   14.281   24.292   10.970   24.292   10.970   0.0000   0.0000   56.717   14.281  ?   ?       ?      ? 
1 1 1  -35   12   35 o   85.880   6.3418   50.329   7.2463   45.743   9.2512   57.609   11.656   81.084   8.4194   90.675   9.4862 -9.591728 12.68363 
1 1 1  -35   12   36 o   82.817   6.6654   47.625   7.2830   46.146   9.2385   50.051   11.837   81.426   8.3725   84.207   10.374 -2.780716 13.33072 
1 1 1  -35   12   37 o  101.532   6.0987   72.398   8.0126   73.636   10.012   70.193   13.364  103.201   7.1587   99.862   9.8757 3.339249 12.19735 
1 1 1  -35   12   38 o   69.232   7.7007   32.796   6.9113   27.078   8.6847   42.672   11.413   60.953   10.915   77.511   10.866 -16.55832 15.40138 
1 1 1  -35   12   39 o   33.111   8.8488   4.8295   6.0779   11.047   7.8950  -4.2170   9.5230   39.387   12.861   26.834   12.157 12.55242 17.69761 
1 1 1  -35   12   40 o  120.905   6.3254  104.010   10.169  113.394   13.577   92.019   15.347  127.677   7.8471  114.133   9.9229 13.54456 12.65072 
1 1 1  -35   12   41 o  112.758   6.2763   89.092   9.5060   88.572   12.627   89.773   14.442  112.629   8.2730  112.887   9.4407 -0.2578506 12.55269 
1 1 1  -35   12   42 o   99.454   8.1676   70.713   10.685   72.867   17.395   69.408   13.540   99.988   12.838   98.921   10.100 1.066795 16.33516 
1 1 1  -35   12   43 o   56.589   11.175   24.601   8.6781   27.082   14.289   23.151   10.923   58.389   17.017   54.789   14.490 3.600025 22.34992 
1 1 1  -35   12   44 o  124.162   6.3141  108.957   10.446  111.087   13.683  105.981   16.175  126.079   8.0085  122.246   9.7639 3.833199 12.62812 
1 1 1  -35   12   45 o  137.505   5.9999  128.186   10.966  109.733   13.946  158.071   17.748  125.138   8.2239  149.872   8.7386 -24.73388 11.99978 
1 1 1  -35   12   46 o   67.678   8.6493   34.146   7.6742   35.956   10.321   31.907   11.477   70.734   10.767   64.623   13.539 6.110825 17.29865 
1 1 1  -35   12   47 o   62.097   9.1749   29.733   7.5252   34.117   10.015   24.050   11.404   68.848   10.735   55.346   14.882 13.50215 18.34980 
1 1 1  -35   12   48 f   33.001   13.176   5.1924   8.8897   5.1924   8.8897   0.0000   0.0000   33.001   13.176  ?   ?       ?      ? 
1 1 1  -35   12   49 o   43.412   10.001   13.455   6.8585   9.0416   9.0828   19.311   10.462   37.143   13.691   49.681   14.584 -12.53771 20.00286 
1 1 1  -35   12   50 o  137.090   6.4650  138.926   11.475  163.776   15.212  106.114   17.480  153.046   7.3346  121.134   10.648 31.91258 12.93008 
1 1 1  -35   12   51 o  106.438   8.0714   84.447   11.323   73.417   17.337   92.651   14.952   99.168   12.901  113.708   9.7033 -14.53983 16.14277 
1 1 1  -35   12   52 o   47.966   10.663   18.426   8.3426   8.6176   13.137   25.055   10.800   39.598   15.943   56.335   14.162 -16.73769 21.32506 
1 1 1  -35   12   53 o   55.724   10.928   25.751   8.6607   20.302   13.637   29.435   11.212   50.202   16.919   61.246   13.836 -11.04400 21.85618 
1 1 1  -35   12   54 o   62.068   9.9193   33.184   9.0953   11.526   14.034   48.869   11.943   42.307   16.660   81.829   10.770 -39.52139 19.83852 
1 1 1  -35   12   55 o   31.009   9.5184   0.9323   7.4282  -2.5984   11.766   3.2722   9.5784   30.319   13.644   31.699   13.275 -1.380541 19.03680 
1 1 1  -35   12   56 o   39.823   14.561   11.288   10.245   0.0000   0.0000   11.288   10.245  ?   ?    39.823   14.561      ?      ? 
1 1 1  -35   12   57 o   89.979   8.9319   60.478   10.708   64.912   16.943   57.528   13.818   91.962   13.596   87.997   11.588 3.965775 17.86384 
1 1 1  -35   12   58 o   85.311   9.9757   60.127   10.548   38.480   15.692   77.971   14.247   67.214   17.167  103.408   10.167 -36.19315 19.95130 
1 1 1  -35   12   59 o   60.379   10.801   31.441   9.3233   19.008   14.129   41.030   12.408   48.241   17.170   72.516   13.109 -24.27515 21.60214 
1 1 1  -35   12   60 o   48.398   10.642   19.255   8.7299   6.1436   13.511   28.651   11.438   37.350   15.711   59.446   14.360 -22.09595 21.28458 
1 1 1  -35   12   61 o   52.565   17.391   23.844   14.418   23.844   14.418   0.0000   0.0000   52.565   17.391  ?   ?       ?      ? 
1 1 1  -35   12   62 o   88.289   13.694   60.933   16.384   60.933   16.384   0.0000   0.0000   88.289   13.694  ?   ?       ?      ? 
1 1 1  -35   12   63 o   45.395   10.225   9.6072   8.9286   34.755   13.909  -8.0173   11.644   63.856   16.083   26.934   12.632 36.92217 20.45041 
1 1 1  -35   12   64 o   28.386   9.2410  -5.3483   8.3231 -10.3794   12.268  -1.0576   11.329   26.636   12.635   30.136   13.488 -3.500147 18.48195 
1 1 1  -35   12   65 o   54.095   11.884   25.902   9.6905   22.692   13.672   29.141   13.737   50.750   16.942   57.439   16.669 -6.689255 23.76720 
1 1 1  -35   12   66 o   44.800   10.635   13.047   9.3962  -4.8431   13.273   31.018   13.303   30.081   13.896   59.518   16.103 -29.43734 21.26978 
1 1 1  -35   12   67 o   57.590   10.709   28.138   10.301   5.9653   14.507   50.689   14.630   36.918   15.925   78.262   14.322 -41.34427 21.41787 
1 1 1  -35   12   68 o   52.752   11.321   23.199   9.9434   40.807   14.743   8.5056   13.468   67.809   16.255   37.695   15.760 30.11410 22.64101 
1 1 1  -35   12   69 o   53.402   17.314   26.970   14.318   0.0000   0.0000   26.970   14.318  ?   ?    53.402   17.314      ?      ? 
1 1 1  -35   12   70 o   71.797   16.445   46.825   15.656   0.0000   0.0000   46.825   15.656  ?   ?    71.797   16.445      ?      ? 
1 1 1  -35   12   71 o   59.152   17.323   33.975   14.777   0.0000   0.0000   33.975   14.777  ?   ?    59.152   17.323      ?      ? 
1 1 1  -35   12   72 o   35.792   15.337   7.5355   13.288   0.0000   0.0000   7.5355   13.288  ?   ?    35.792   15.337      ?      ? 
1 1 1  -35   13    1 o  111.130   7.9005   86.129   11.898   86.129   11.898   0.0000   0.0000  111.130   7.9005  ?   ?       ?      ? 
1 1 1  -35   13    2 o   52.988   12.736   21.176   9.0316   21.176   9.0316   0.0000   0.0000   52.988   12.736  ?   ?       ?      ? 
1 1 1  -35   13    3 o  131.366   7.6265  119.995   13.577  119.995   13.577   0.0000   0.0000  131.366   7.6265  ?   ?       ?      ? 
1 1 1  -35   13    4 o  109.147   8.1318   83.083   12.028   83.083   12.028   0.0000   0.0000  109.147   8.1318  ?   ?       ?      ? 
1 1 1  -35   13    5 o   40.341   13.557   11.510   8.7548   11.510   8.7548   0.0000   0.0000   40.341   13.557  ?   ?       ?      ? 
1 1 1  -35   13    6 o   69.218   6.5906   33.952   5.9746   32.488   9.6528   34.861   7.6068   67.655   10.529   70.781   7.9306 -3.125397 13.18118 
1 1 1  -35   13    7 o   76.914   5.1202   40.967   5.2258   40.952   6.7441   40.990   8.2672   77.066   6.4577   76.761   7.9476 0.3052597 10.24042 
1 1 1  -35   13    8 o   50.930   6.4296   18.208   4.2772   13.515   5.7234   24.143   6.4371   42.960   10.016   58.899   8.0649 -15.93904 12.85912 
1 1 1  -35   13    9 o   34.915   10.900   8.6720   5.7203   8.6720   5.7203   0.0000   0.0000   34.915   10.900  ?   ?       ?      ? 
1 1 1  -35   13   10 o  100.053   4.9891   68.395   6.6063   65.583   8.4042   72.941   10.687   97.582   6.3554  102.525   7.6923 -4.942886 9.978129 
1 1 1  -35   13   11 o   77.794   5.4760   42.029   5.7201   42.224   7.6084   41.775   8.6751   78.130   7.1861   77.458   8.2647 0.6717300 10.95198 
1 1 1  -35   13   12 o   61.404   6.5980   27.400   5.1996   33.187   7.1831   21.031   7.5362   69.175   7.6627   53.634   10.743 15.54137 13.19609 
1 1 1  -35   13   13 o   51.126   6.9722   19.264   4.7221   8.9549   6.5238   30.609   6.8437   35.801   11.691   66.451   7.5999 -30.64989 13.94438 
1 1 1  -35   13   14 o   86.758   5.4984   52.446   6.3476   53.488   8.2842   50.965   9.8786   88.011   6.9459   85.505   8.5255 2.505875 10.99680 
1 1 1  -35   13   15 o   57.864   8.1216   25.632   6.0534   18.432   9.4781   30.593   7.8669   49.531   13.672   66.197   8.7696 -16.66608 16.24324 
1 1 1  -35   13   16 o   46.742   8.0041   16.381   5.1508   21.463   7.1486   10.893   7.4281   54.435   10.061   39.048   12.451 15.38647 16.00821 
1 1 1  -35   13   17 o   50.291   7.9605   18.574   5.2939   16.581   7.3153   20.765   7.6707   47.352   11.512   53.229   10.998 -5.876270 15.92104 
1 1 1  -35   13   18 o   44.786   8.3025   14.757   5.1774   11.279   7.2126   18.455   7.4365   39.519   12.223   50.052   11.239 -10.53334 16.60494 
1 1 1  -35   13   19 o   29.328   8.1228   3.7240   4.7852   6.0457   6.7120   1.3241   6.8241   31.936   11.769   26.720   11.199 5.216448 16.24570 
1 1 1  -35   13   20 o   67.518   8.5667   31.784   7.8383   31.784   7.8383   0.0000   0.0000   67.518   8.5667  ?   ?       ?      ? 
1 1 1  -35   13   21 o   89.072   5.6996   54.462   6.7681   51.553   8.7219   58.864   10.730   86.280   7.4596   91.864   8.6195 -5.583954 11.39919 
1 1 1  -35   13   22 o   63.048   7.2875   28.979   5.9473   32.525   8.0172   24.639   8.8687   68.269   8.6659   57.827   11.719 10.44247 14.57497 
1 1 1  -35   13   23 o   55.388   8.0323   22.428   5.8147   20.562   7.8930   24.644   8.5987   52.825   11.363   57.951   11.355 -5.126350 16.06459 
1 1 1  -35   13   24 f   83.591   6.0859   48.944   6.7728   49.811   8.8460   47.717   10.529   84.729   7.7042   82.452   9.4232 2.277710 12.17174 
1 1 1  -35   13   25 o  106.434   5.4004   75.481   7.6046   64.923   9.5690   93.579   12.528   96.842   7.2916  116.027   7.9681 -19.18489 10.80080 
1 1 1  -35   13   26 o   47.898   8.1665   17.289   5.7246   25.168   7.7816   7.9952   8.4515   59.821   9.5992   35.976   13.214 23.84444 16.33295 
1 1 1  -35   13   27 o   39.758   9.6158   10.955   6.1987   10.777   9.4259   11.092   8.2284   39.905   14.043   39.611   13.140 0.2934380 19.23170 
1 1 1  -35   13   28 f   81.048   7.5227   47.569   8.0716   39.970   12.067   53.723   10.858   74.590   11.938   87.506   9.1569 -12.91521 15.04534 
1 1 1  -35   13   29 o   53.668   9.9794   23.289   7.3699   15.411   12.930   27.080   8.9695   46.600   16.442   60.736   11.314 -14.13650 19.95885 
1 1 1  -35   13   30 o   43.932   8.0132   13.070   5.6481   1.8985   7.7785   25.529   8.2148   28.703   11.987   59.162   10.638 -30.45888 16.02635 
1 1 1  -35   13   31 f  113.302   5.9821   88.218   9.1011   74.728   12.054  106.109   13.881  103.336   8.6076  123.269   8.3097 -19.93383 11.96417 
1 1 1  -35   13   32 o  125.056   5.8765  109.530   9.8894  111.757   13.316  106.791   14.768  126.721   7.7543  123.390   8.8320 3.331169 11.75299 
1 1 1  -35   13   33 o   73.195   10.000   37.971   9.9192   37.971   9.9192   0.0000   0.0000   73.195   10.000  ?   ?       ?      ? 
1 1 1  -35   13   34 o   99.340   6.3102   68.262   8.4240   58.446   11.171   81.204   12.827   91.142   9.0444  107.537   8.8019 -16.39455 12.62043 
1 1 1  -35   13   35 f  142.514   5.8114  143.124   11.071  149.653   14.726  134.637   16.790  146.700   7.4073  138.329   8.9567 8.371017 11.62281 
1 1 1  -35   13   36 o  111.225   6.1675   84.981   9.0827   62.961   11.991  114.626   13.912   94.384   9.3748  128.065   8.0166 -33.68052 12.33499 
1 1 1  -35   13   37 o   49.254   9.5864   18.569   6.6159   19.952   9.2706   17.134   9.4443   51.112   13.268   47.396   13.840 3.716892 19.17286 
1 1 1  -35   13   38 o   40.641   8.0675   9.2292   6.1641  -6.2706   8.7805   24.291   8.6555   24.217   11.227   57.065   11.588 -32.84842 16.13502 
1 1 1  -35   13   39 o   90.150   6.9989   58.631   8.4207   64.306   11.384   51.775   12.513   95.494   8.7972   84.807   10.888 10.68633 13.99784 
1 1 1  -35   13   40 o   91.692   7.0429   61.533   8.4959   71.057   11.424   49.747   12.709  100.516   8.3867   82.868   11.317 17.64735 14.08580 
1 1 1  -35   13   41 o   80.391   9.1296   45.619   9.4701   62.628   15.673   35.837   11.885   92.211   12.542   68.571   13.270 23.63947 18.25928 
1 1 1  -35   13   42 f   38.317   10.032   8.8889   7.5965  -1.9784   12.559   15.158   9.5391   32.020   14.276   44.615   14.098 -12.59494 20.06346 
1 1 1  -35   13   43 o   35.345   9.2477   6.2847   6.3779  -0.6592   8.8430   13.812   9.2074   27.863   12.219   42.827   13.884 -14.96408 18.49545 
1 1 1  -35   13   44 o   89.018   7.0369   56.801   8.4184   56.392   11.204   57.331   12.757   88.968   9.2934   89.069   10.569 -0.1003342 14.07377 
1 1 1  -35   13   45 o  102.548   8.2134   79.989   10.886   60.025   16.400   95.712   14.555   89.245   13.561  115.851   9.2708 -26.60659 16.42689 
1 1 1  -35   13   46 o   43.182   10.551   13.800   7.9749   6.0162   12.450   19.216   10.385   37.030   15.289   49.334   14.544 -12.30475 21.10193 
1 1 1  -35   13   47 o   88.041   12.676   57.921   15.124   57.921   15.124   0.0000   0.0000   88.041   12.676  ?   ?       ?      ? 
1 1 1  -35   13   48 o   45.565   9.4674   14.236   8.0631  -5.2193   12.137   29.606   10.788   29.431   13.483   61.699   13.295 -32.26716 18.93474 
1 1 1  -35   13   49 o   49.591   10.475   20.068   8.3648   8.4368   12.945   28.407   10.960   39.109   15.799   60.073   13.759 -20.96342 20.95030 
1 1 1  -35   13   50 o   87.927   9.1382   59.756   10.345   52.224   15.668   65.576   13.773   81.144   14.794   94.710   10.731 -13.56662 18.27639 
1 1 1  -35   13   51 o   56.230   11.150   25.358   8.7167   30.452   13.821   21.994   11.232   60.397   16.444   52.063   15.062 8.334038 22.29989 
1 1 1  -35   13   52 o   46.262   11.243   16.703   8.3994   18.856   13.228   15.249   10.872   48.282   16.656   44.242   15.106 4.039734 22.48635 
1 1 1  -35   13   53 o   65.210   10.648   35.471   9.4659   26.493   14.543   42.070   12.469   55.663   17.380   74.757   12.308 -19.09426 21.29683 
1 1 1  -35   13   54 o   65.927   10.685   35.979   9.2885   32.090   14.324   38.801   12.201   61.462   16.744   70.392   13.278 -8.930626 21.36941 
1 1 1  -35   13   55 o   72.344   13.457   41.173   12.707   0.0000   0.0000   41.173   12.707  ?   ?    72.344   13.457      ?      ? 
1 1 1  -35   13   56 f   40.554   9.7203   8.4889   8.3387 -11.8763   12.612   24.308   11.115   26.684   12.702   54.423   14.717 -27.73848 19.44069 
1 1 1  -35   13   57 o   29.134   9.2139  -2.1350   7.6308  -7.5447   11.423   2.2250   10.255   26.959   12.601   31.309   13.446 -4.349897 18.42778 
1 1 1  -35   13   58 f   42.449   10.859   12.259   8.3026   21.671   12.809   5.4404   10.903   50.499   16.377   34.398   14.264 16.10136 21.71765 
1 1 1  -35   13   59 o   92.731   8.9343   66.616   11.088   61.944   16.551   70.420   14.934   88.722   13.766   96.740   11.392 -8.018211 17.86868 
1 1 1  -35   13   60 f   88.935   13.438   62.112   16.196   62.112   16.196   0.0000   0.0000   88.935   13.438  ?   ?       ?      ? 
1 1 1  -35   13   61 o   61.471   16.916   33.502   14.535   33.502   14.535   0.0000   0.0000   61.471   16.916  ?   ?       ?      ? 
1 1 1  -35   13   62 o   54.549   11.624   26.628   9.4974   21.428   14.025   31.034   12.908   49.194   17.140   59.903   15.707 -10.70929 23.24885 
1 1 1  -35   13   63 o   51.493   11.465   23.630   9.4976   14.483   13.885   31.673   13.020   42.751   16.648   60.235   15.767 -17.48447 22.92930 
1 1 1  -35   13   64 o   35.874   10.392   6.5667   8.5396  -1.6082   12.673   13.366   11.557   30.821   13.987   40.927   15.372 -10.10576 20.78346 
1 1 1  -35   13   65 o   54.719   11.028   26.760   9.7713   11.080   13.978   41.746   13.665   39.630   16.263   69.809   14.898 -30.17902 22.05554 
1 1 1  -35   13   66 o   59.352   11.674   32.816   10.169   22.863   14.387   42.753   14.375   49.144   17.343   69.561   15.631 -20.41698 23.34756 
1 1 1  -35   13   67 o   61.048   16.922   35.241   14.485   0.0000   0.0000   35.241   14.485  ?   ?    61.048   16.922      ?      ? 
1 1 1  -35   13   68 o   65.831   17.042   41.375   15.322   0.0000   0.0000   41.375   15.322  ?   ?    65.831   17.042      ?      ? 
1 1 1  -35   13   69 o   35.984   15.474   7.7802   13.613   0.0000   0.0000   7.7802   13.613  ?   ?    35.984   15.474      ?      ? 
1 1 1  -35   13   70 o   48.875   17.231   24.545   14.197   0.0000   0.0000   24.545   14.197  ?   ?    48.875   17.231      ?      ? 
1 1 1  -35   13   71 o   29.248   13.570  -2.3345   12.865   0.0000   0.0000  -2.3345   12.865  ?   ?    29.248   13.570      ?      ? 
1 1 1  -35   14    1 o   33.234   14.051   2.9086   10.895   2.9086   10.895   0.0000   0.0000   33.234   14.051  ?   ?       ?      ? 
1 1 1  -35   14    2 o   45.633   15.557   15.749   11.530   15.749   11.530   0.0000   0.0000   45.633   15.557  ?   ?       ?      ? 
1 1 1  -35   14    3 o   97.679   11.989   69.921   15.869   69.921   15.869   0.0000   0.0000   97.679   11.989  ?   ?       ?      ? 
1 1 1  -35   14    4 o   55.506   16.588   24.802   13.437   24.802   13.437   0.0000   0.0000   55.506   16.588  ?   ?       ?      ? 
1 1 1  -35   14    5 o   47.265   16.105   16.983   12.358   16.983   12.358   0.0000   0.0000   47.265   16.105  ?   ?       ?      ? 
1 1 1  -35   14    6 o  109.656   11.606   87.454   17.247   87.454   17.247   0.0000   0.0000  109.656   11.606  ?   ?       ?      ? 
1 1 1  -35   14    7 o   71.585   15.171   40.087   14.259   40.087   14.259   0.0000   0.0000   71.585   15.171  ?   ?       ?      ? 
1 1 1  -35   14    8 o   57.929   16.100   26.762   13.094   26.762   13.094   0.0000   0.0000   57.929   16.100  ?   ?       ?      ? 
1 1 1  -35   14    9 o   44.968   16.050   14.577   12.355   14.577   12.355   0.0000   0.0000   44.968   16.050  ?   ?       ?      ? 
1 1 1  -35   14   10 o   66.260   15.304   34.440   13.464   34.440   13.464   0.0000   0.0000   66.260   15.304  ?   ?       ?      ? 
1 1 1  -35   14   11 o  104.715   11.733   79.594   16.650   79.594   16.650   0.0000   0.0000  104.715   11.733  ?   ?       ?      ? 
1 1 1  -35   14   12 o   86.945   5.9139   53.152   6.9455   54.376   9.5231   51.761   10.152   88.155   7.9717   85.736   8.7378 2.418770 11.82784 
1 1 1  -35   14   13 o   64.071   6.6917   29.051   5.7939   26.247   8.0498   32.066   8.3459   60.773   9.7746   67.369   9.1418 -6.596039 13.38335 
1 1 1  -35   14   14 o   45.821   9.5232   16.924   6.2256   9.6136   12.401   19.387   7.1984   40.469   15.741   51.173   10.724 -10.70361 19.04648 
1 1 1  -35   14   15 o   54.871   9.3455   25.900   6.9310   12.215   13.117   31.202   8.1639   43.252   16.348   66.491   9.0605 -23.23917 18.69097 
1 1 1  -35   14   16 o  126.100   5.4715  110.065   9.3048  101.582   12.436  120.854   14.025  120.691   7.6035  131.509   7.8698 -10.81841 10.94294 
1 1 1  -35   14   17 o   99.328   5.8346   69.180   7.8450   69.949   10.886   68.350   11.316   99.988   8.0339   98.668   8.4631 1.319542 11.66911 
1 1 1  -35   14   18 o  103.945   5.9606   76.091   8.3641   80.450   11.583   71.341   12.091  107.258   7.9691  100.632   8.8661 6.625549 11.92113 
1 1 1  -35   14   19 o  114.695   7.5932   91.733   11.802   91.733   11.802   0.0000   0.0000  114.695   7.5932  ?   ?       ?      ? 
1 1 1  -35   14   20 o   60.226   7.7825   26.610   6.1807   23.470   8.8394   29.614   8.6456   55.921   12.022   64.532   9.8864 -8.610790 15.56501 
1 1 1  -35   14   21 o   28.810   8.3277   2.9113   5.1426   2.0925   7.7887   3.5441   6.8473   28.747   11.999   28.873   11.551 -0.1257782 16.65547 
1 1 1  -35   14   22 o   60.596   8.1505   27.170   6.5119   32.279   9.2194   22.083   9.1991   67.285   10.111   53.906   12.786 13.37863 16.30091 
1 1 1  -35   14   23 o   93.859   6.2210   61.575   7.8567   52.241   10.654   72.703   11.633   85.977   9.1441  101.740   8.4374 -15.76249 12.44200 
1 1 1  -35   14   24 o   93.049   8.5892   68.361   9.5893   44.274   14.804   85.773   12.587   75.590   14.982  110.508   8.4050 -34.91804 17.17842 
1 1 1  -35   14   25 f   47.085   10.147   17.482   7.3182   10.760   12.007   21.455   9.2309   41.149   15.620   53.022   12.957 -11.87280 20.29464 
1 1 1  -35   14   26 o   62.658   8.3857   29.230   6.8528   27.053   9.4328   31.663   9.9723   60.068   12.008   65.248   11.709 -5.179768 16.77143 
1 1 1  -35   14   27 o   80.080   8.5475   45.770   8.8922   50.670   15.136   43.188   10.988   82.547   13.531   77.613   10.448 4.933067 17.09507 
1 1 1  -35   14   28 o   75.189   7.2133   40.064   7.2992   34.199   9.8513   47.204   10.869   69.012   10.534   81.365   9.8574 -12.35281 14.42670 
1 1 1  -35   14   29 o  115.532   5.9092   91.691   9.1399   76.506   11.959  113.017   14.172  104.243   8.4659  126.821   8.2464 -22.57786 11.81843 
1 1 1  -35   14   30 o   33.619   8.2375   5.0770   5.5992  -5.7012   8.2002   14.491   7.6639   23.493   10.877   43.745   12.374 -20.25175 16.47495 
1 1 1  -35   14   31 o   62.936   8.3934   30.090   6.8838   40.442   9.7463   19.785   9.7239   75.361   9.5436   50.511   13.810 24.85016 16.78675 
1 1 1  -35   14   32 o   57.489   12.446   25.122   9.4149   25.122   9.4149   0.0000   0.0000   57.489   12.446  ?   ?       ?      ? 
1 1 1  -35   14   33 o   48.231   8.9137   17.610   6.3090   9.1155   8.8259   26.485   9.0217   37.044   13.519   59.418   11.621 -22.37379 17.82746 
1 1 1  -35   14   34 o   23.199   7.5424  -4.6361   5.4313  -4.4674   7.8792  -4.7889   7.4971   23.644   10.843   22.753   10.487 0.8917828 15.08472 
1 1 1  -35   14   35 o   36.538   8.9574   8.0918   5.9183   1.3537   8.2717   15.159   8.4713   28.602   12.174   44.474   13.143 -15.87195 17.91472 
1 1 1  -35   14   36 o   45.683   9.6343   16.109   6.4746   18.603   9.0932   13.545   9.2212   48.956   13.342   42.411   13.902 6.544819 19.26870 
1 1 1  -35   14   37 o   57.925   10.259   26.681   7.9088   25.611   12.780   27.345   10.068   56.196   16.008   59.655   12.835 -3.458645 20.51850 
1 1 1  -35   14   38 o   55.771   10.461   24.026   7.8199   28.335   12.943   21.550   9.8133   59.094   15.840   52.449   13.668 6.645271 20.92226 
1 1 1  -35   14   39 o   36.514   8.3984   5.5619   6.7772 -17.3334   11.002   19.563   8.6033   22.712   11.067   50.315   12.636 -27.60241 16.79674 
1 1 1  -35   14   40 o   37.819   13.406   10.096   8.6050   0.0000   0.0000   10.096   8.6050  ?   ?    37.819   13.406      ?      ? 
1 1 1  -35   14   41 o   57.264   13.106   25.519   9.9501   0.0000   0.0000   25.519   9.9501  ?   ?    57.264   13.106      ?      ? 
1 1 1  -35   14   42 o   78.683   9.1684   50.320   8.8802   31.575   13.408   64.967   11.852   62.098   15.873   95.267   9.1806 -33.16891 18.33681 
1 1 1  -35   14   43 o   34.502   9.0193   4.8996   6.8502 -10.1522   10.841   14.904   8.8381   25.202   11.932   43.801   13.528 -18.59951 18.03852 
1 1 1  -35   14   44 o   44.871   10.517   15.942   7.5551   12.124   12.087   18.389   9.6788   41.604   15.701   48.138   13.998 -6.533653 21.03493 
1 1 1  -35   14   45 o   86.190   8.8222   57.252   9.7349   50.656   15.038   62.011   12.772   80.054   14.391   92.325   10.208 -12.27110 17.64433 
1 1 1  -35   14   46 o   55.953   16.351   26.186   13.178   26.186   13.178   0.0000   0.0000   55.953   16.351  ?   ?       ?      ? 
1 1 1  -35   14   47 f   75.497   9.7806   45.520   9.5644   36.868   14.241   52.629   12.909   66.720   15.965   84.274   11.303 -17.55413 19.56123 
1 1 1  -35   14   48 o   58.668   9.5485   28.163   8.9069   5.8954   12.973   48.019   12.250   36.859   15.444   80.476   11.233 -43.61783 19.09693 
1 1 1  -35   14   49 o   73.967   9.9178   44.136   9.5156   36.380   14.391   50.160   12.684   65.860   16.230   82.074   11.404 -16.21358 19.83570 
1 1 1  -35   14   50 o   62.358   10.734   33.042   9.0738   25.742   14.017   38.307   11.905   54.745   17.058   69.971   13.035 -15.22585 21.46794 
1 1 1  -35   14   51 o   70.196   10.142   41.638   9.3438   27.416   14.226   52.428   12.391   56.273   17.124   84.119   10.870 -27.84586 20.28309 
1 1 1  -35   14   52 o   35.035   10.259   5.7039   7.8764   6.7549   12.137   4.9392   10.353   36.543   15.093   33.528   13.901 3.014702 20.51865 
1 1 1  -35   14   53 o   33.765   10.073   2.0865   7.8501   11.090   12.843  -3.2832   9.9186   40.405   15.929   27.124   12.334 13.28041 20.14657 
1 1 1  -35   14   54 o   42.944   15.489   14.527   11.536   0.0000   0.0000   14.527   11.536  ?   ?    42.944   15.489      ?      ? 
1 1 1  -35   14   55 o   81.025   10.230   57.720   10.609   24.277   15.277   88.871   14.744   52.152   17.905  109.898   9.9002 -57.74630 20.45979 
1 1 1  -35   14   56 o   83.184   9.6203   55.111   10.482   54.900   15.893   55.274   13.945   81.525   14.936   84.844   12.129 -3.318855 19.24065 
1 1 1  -35   14   57 o   51.211   11.147   22.988   8.9418   15.015   13.272   29.616   12.100   43.351   16.430   59.072   15.068 -15.72094 22.29348 
1 1 1  -35   14   58 o   45.873   11.387   17.665   8.7444   21.300   13.169   14.797   11.695   49.095   16.626   42.652   15.563 6.443142 22.77352 
1 1 1  -35   14   59 o   42.056   16.391   13.923   13.468   13.923   13.468   0.0000   0.0000   42.056   16.391  ?   ?       ?      ? 
1 1 1  -35   14   60 o   52.825   11.617   25.551   9.7152   16.704   14.177   33.384   13.340   44.274   16.933   61.377   15.908 -17.10310 23.23318 
1 1 1  -35   14   61 o   39.301   10.778   8.4186   9.0143   22.306   13.485  -2.8001   12.120   49.181   16.824   29.422   13.476 19.75925 21.55573 
1 1 1  -35   14   62 o   46.641   10.951   17.206   9.5787   1.2345   13.469   33.551   13.625   32.724   14.672   60.559   16.260 -27.83468 21.90162 
1 1 1  -35   14   63 o   37.872   10.987   9.3222   9.2595   3.2813   12.876   15.792   13.326   33.212   14.649   42.532   16.380 -9.319324 21.97470 
1 1 1  -35   14   64 o   38.523   10.973   10.548   9.1700   17.714   13.010   3.4722   12.927   43.899   16.345   33.147   14.646 10.75225 21.94678 
1 1 1  -35   14   65 o   34.782   10.553   6.6024   8.9696   9.2873   12.665   3.9003   12.705   36.567   15.285   32.997   14.553 3.570786 21.10518 
1 1 1  -35   14   66 o   34.524   15.013   6.3839   13.103   0.0000   0.0000   6.3839   13.103  ?   ?    34.524   15.013      ?      ? 
1 1 1  -35   14   67 o   25.808   12.309  -8.2969   11.969   0.0000   0.0000  -8.2969   11.969  ?   ?    25.808   12.309      ?      ? 
1 1 1  -35   14   68 o   45.368   16.981   21.738   14.078   0.0000   0.0000   21.738   14.078  ?   ?    45.368   16.981      ?      ? 
1 1 1  -35   14   69 o   47.193   16.861   24.135   13.638   0.0000   0.0000   24.135   13.638  ?   ?    47.193   16.861      ?      ? 
1 1 1  -35   15    1 o   26.558   12.298  -6.2632   10.490  -6.2632   10.490   0.0000   0.0000   26.558   12.298  ?   ?       ?      ? 
1 1 1  -35   15    2 f   51.173   15.799   21.333   12.055   21.333   12.055   0.0000   0.0000   51.173   15.799  ?   ?       ?      ? 
1 1 1  -35   15    3 o   71.065   14.653   40.140   13.643   40.140   13.643   0.0000   0.0000   71.065   14.653  ?   ?       ?      ? 
1 1 1  -35   15    4 o   83.608   13.279   52.963   15.045   52.963   15.045   0.0000   0.0000   83.608   13.279  ?   ?       ?      ? 
1 1 1  -35   15    5 o   64.459   15.738   33.834   13.628   33.834   13.628   0.0000   0.0000   64.459   15.738  ?   ?       ?      ? 
1 1 1  -35   15    6 o   25.136   11.896 -10.1045   10.751 -10.1045   10.751   0.0000   0.0000   25.136   11.896  ?   ?       ?      ? 
1 1 1  -35   15    7 o   37.773   15.243   7.5557   12.037   7.5557   12.037   0.0000   0.0000   37.773   15.243  ?   ?       ?      ? 
1 1 1  -35   15    8 o   27.629   12.756  -6.2201   11.163  -6.2201   11.163   0.0000   0.0000   27.629   12.756  ?   ?       ?      ? 
1 1 1  -35   15    9 f   25.217   11.935 -10.2273   10.824 -10.2273   10.824   0.0000   0.0000   25.217   11.935  ?   ?       ?      ? 
1 1 1  -35   15   10 o   29.634   13.390  -3.3411   11.466  -3.3411   11.466   0.0000   0.0000   29.634   13.390  ?   ?       ?      ? 
1 1 1  -35   15   11 o   41.599   15.844   11.622   12.381   11.622   12.381   0.0000   0.0000   41.599   15.844  ?   ?       ?      ? 
1 1 1  -35   15   12 o   33.960   14.495   2.7762   11.785   2.7762   11.785   0.0000   0.0000   33.960   14.495  ?   ?       ?      ? 
1 1 1  -35   15   13 o   54.907   16.319   24.614   13.032   24.614   13.032   0.0000   0.0000   54.907   16.319  ?   ?       ?      ? 
1 1 1  -35   15   14 o  101.121   12.413   75.993   17.010   75.993   17.010   0.0000   0.0000  101.121   12.413  ?   ?       ?      ? 
1 1 1  -35   15   15 o   69.823   15.635   39.162   14.425   39.162   14.425   0.0000   0.0000   69.823   15.635  ?   ?       ?      ? 
1 1 1  -35   15   16 o   99.503   12.599   73.748   16.989   73.748   16.989   0.0000   0.0000   99.503   12.599  ?   ?       ?      ? 
1 1 1  -35   15   17 o  100.244   12.764   75.023   17.339   75.023   17.339   0.0000   0.0000  100.244   12.764  ?   ?       ?      ? 
1 1 1  -35   15   18 o   91.332   8.5779   59.119   10.617   59.119   10.617   0.0000   0.0000   91.332   8.5779  ?   ?       ?      ? 
1 1 1  -35   15   19 o   56.847   11.425   24.352   8.4958   24.352   8.4958   0.0000   0.0000   56.847   11.425  ?   ?       ?      ? 
1 1 1  -35   15   20 o   56.991   9.4323   25.798   7.0749   22.359   11.297   28.018   9.0749   52.885   15.046   61.097   11.379 -8.212395 18.86467 
1 1 1  -35   15   21 o   70.794   7.2143   36.183   6.9172   36.277   9.6329   36.082   9.9389   70.968   10.016   70.620   10.386 0.3479004 14.42868 
1 1 1  -35   15   22 o   27.574   8.2247   1.6411   5.2581   1.9453   7.5359   1.3526   7.3400   27.995   11.752   27.154   11.509 0.8413734 16.44931 
1 1 1  -35   15   23 o   44.247   9.7485   13.110   6.6648   23.600   10.888   6.8234   8.4284   54.500   14.492   33.995   13.043 20.50513 19.49704 
1 1 1  -35   15   24 o   37.421   9.6309   9.4669   6.5755   3.8176   10.683   12.912   8.3431   33.532   14.030   41.311   13.198 -7.779575 19.26188 
1 1 1  -35   15   25 o   44.603   10.181   15.435   6.9563   13.999   11.232   16.329   8.8600   43.364   15.322   45.843   13.411 -2.478535 20.36200 
1 1 1  -35   15   26 o   43.152   13.636   14.289   8.9241   0.0000   0.0000   14.289   8.9241  ?   ?    43.152   13.636      ?      ? 
1 1 1  -35   15   27 o   30.592   8.4406   0.7986   6.2998 -14.6506   9.8748   11.402   8.1810   21.933   10.641   39.250   13.105 -17.31744 16.88124 
1 1 1  -35   15   28 o   53.170   9.8052   23.586   7.5007   13.716   11.905   30.083   9.6588   43.259   15.715   63.081   11.731 -19.82228 19.61043 
1 1 1  -35   15   29 o   51.286   9.8871   22.080   7.6022   10.931   12.267   29.031   9.6864   40.795   15.715   61.777   12.003 -20.98245 19.77425 
1 1 1  -35   15   30 o   60.683   9.9952   29.475   7.9560   27.266   12.675   30.911   10.220   57.761   15.756   63.604   12.302 -5.842834 19.99033 
1 1 1  -35   15   31 o   64.191   15.078   33.162   12.893   33.162   12.893   0.0000   0.0000   64.191   15.078  ?   ?       ?      ? 
1 1 1  -35   15   32 o   57.816   10.151   26.286   7.8009   29.019   12.337   24.465   10.069   59.854   15.186   55.779   13.473 4.075077 20.30121 
1 1 1  -35   15   33 o   24.450   8.0518  -7.4187   6.2266  -1.8562   10.259 -10.6633   7.8349   28.810   12.869   20.090   9.6805 8.720060 16.10369 
1 1 1  -35   15   34 o   36.371   9.6780   7.6901   7.0722  -0.8855   10.952   13.823   9.2620   30.319   13.435   42.422   13.934 -12.10371 19.35590 
1 1 1  -35   15   35 o   89.768   7.8903   59.140   9.5019   60.934   14.564   57.810   12.538   90.469   11.880   89.067   10.388 1.402451 15.78068 
1 1 1  -35   15   36 f   57.669   10.346   27.923   8.2153   20.651   13.074   32.668   10.561   50.156   16.559   65.182   12.409 -15.02639 20.69280 
1 1 1  -35   15   37 o   46.533   10.327   14.867   7.5987   27.693   12.277   6.9043   9.6743   58.118   15.358   34.948   13.810 23.16938 20.65386 
1 1 1  -35   15   38 o   29.182   9.0810  -0.0908   6.8020  -1.1897   11.108   0.5684   8.6037   30.219   13.453   28.145   12.202 2.073946 18.16209 
1 1 1  -35   15   39 o   47.628   13.976   18.120   9.6090   0.0000   0.0000   18.120   9.6090  ?   ?    47.628   13.976      ?      ? 
1 1 1  -35   15   40 o   42.987   10.568   14.383   7.5719   11.482   12.173   16.214   9.6705   40.802   15.670   45.172   14.184 -4.370193 21.13601 
1 1 1  -35   15   41 o   38.403   9.8826   9.9320   7.2875   0.8753   11.505   16.000   9.4177   31.925   13.971   44.882   13.982 -12.95694 19.76526 
1 1 1  -35   15   42 f   47.219   10.690   16.406   7.7664   26.242   12.688   10.513   9.8211   55.920   15.958   38.518   14.229 17.40145 21.38032 
1 1 1  -35   15   43 o   51.960   10.645   22.562   7.9615   19.558   12.490   24.617   10.333   48.609   16.192   55.310   13.824 -6.701626 21.29023 
1 1 1  -35   15   44 o   46.629   15.952   17.726   12.124   17.726   12.124   0.0000   0.0000   46.629   15.952  ?   ?       ?      ? 
1 1 1  -35   15   45 o   51.294   15.763   22.080   12.017   22.080   12.017   0.0000   0.0000   51.294   15.763  ?   ?       ?      ? 
1 1 1  -35   15   46 o   48.135   10.141   19.121   7.8890   8.1308   11.869   27.819   10.559   37.386   15.119   58.884   13.518 -21.49761 20.28109 
1 1 1  -35   15   47 o   28.072   9.0280  -4.1964   7.4660   0.9924   11.491  -7.9870   9.8215   31.724   13.921   24.420   11.500 7.303984 18.05607 
1 1 1  -35   15   48 o   58.119   10.868   29.178   8.9248   21.760   13.352   35.170   12.000   50.262   16.741   65.975   13.862 -15.71267 21.73512 
1 1 1  -35   15   49 o   30.004   9.3154  -2.2082   7.8737 -12.6451   11.564   6.8111   10.750   24.803   11.902   35.206   14.333 -10.40297 18.63086 
1 1 1  -35   15   50 o   50.894   11.114   22.443   8.7978   15.428   13.025   28.330   11.931   43.858   16.349   57.930   15.059 -14.07207 22.22775 
1 1 1  -35   15   51 o   52.694   11.179   24.263   9.1565   14.996   13.333   32.534   12.597   43.390   16.463   61.998   15.127 -18.60745 22.35750 
1 1 1  -35   15   52 o   84.013   12.696   55.213   14.454   0.0000   0.0000   55.213   14.454  ?   ?    84.013   12.696      ?      ? 
1 1 1  -35   15   53 o  109.110   11.003   90.335   16.269   0.0000   0.0000   90.335   16.269  ?   ?   109.110   11.003      ?      ? 
1 1 1  -35   15   54 o   46.436   11.647   18.280   9.0628   23.251   14.319   14.957   11.706   50.326   17.331   42.546   15.563 7.780186 23.29349 
1 1 1  -35   15   55 o   33.784   10.059   4.5715   8.2817  -3.9960   13.047   10.354   10.718   29.910   13.802   37.659   14.638 -7.748573 20.11883 
1 1 1  -35   15   56 o   62.966   11.511   36.324   9.9465   32.303   15.058   39.436   13.248   58.213   17.596   67.719   14.846 -9.506386 23.02235 
1 1 1  -35   15   57 o   35.770   10.733   7.0012   8.9710   6.9527   13.816   7.0365   11.796   36.390   15.617   35.150   14.727 1.240379 21.46571 
1 1 1  -35   15   58 o   28.474   13.273  -5.0912   12.536  -5.0912   12.536   0.0000   0.0000   28.474   13.273  ?   ?       ?      ? 
1 1 1  -35   15   59 o   57.826   11.745   32.262   9.9749   25.140   14.461   38.727   13.777   50.435   17.414   65.218   15.763 -14.78314 23.48911 
1 1 1  -35   15   60 o   43.104   11.708   17.166   9.6231   16.261   14.211   17.933   13.078   42.374   16.740   43.835   16.375 -1.461155 23.41690 
1 1 1  -35   15   61 o   44.627   11.886   19.226   9.7412   21.547   14.601   17.365   13.077   46.282   17.299   42.971   16.304 3.311283 23.77120 
1 1 1  -35   15   62 o   31.219   9.9703   1.5264   8.9405   0.6849   13.548   2.1754   11.899   31.469   14.351   30.969   13.845 0.4997330 19.94065 
1 1 1  -35   15   63 o   38.770   11.129   13.002   9.3713   7.9389   13.942   17.175   12.657   35.450   15.450   42.089   16.023 -6.639179 22.25826 
1 1 1  -35   15   64 o   32.520   10.278   3.9843   9.1881   7.2863   13.922   1.4365   12.229   34.706   15.273   30.335   13.756 4.370701 20.55521 
1 1 1  -35   15   65 o   30.378   13.759   2.0491   12.192   0.0000   0.0000   2.0491   12.192  ?   ?    30.378   13.759      ?      ? 
1 1 1  -35   16   26 o   45.847   10.163   15.582   7.1697   23.954   11.239   9.8379   9.3098   54.122   14.868   37.571   13.859 16.55160 20.32520 
1 1 1  -35   16   27 o   41.959   9.1143   12.751   6.9968  -2.0087   10.806   23.407   9.1814   29.257   13.128   54.661   12.646 -25.40436 18.22854 
1 1 1  -35   16   28 o   37.341   10.022   9.3146   6.9220   8.8524   10.876   9.6293   8.9740   37.566   14.705   37.116   13.619 0.4491158 20.04329 
1 1 1  -35   16   29 o   44.431   10.515   15.767   7.5534   12.415   11.654   18.195   9.9186   41.339   15.454   47.524   14.262 -6.185032 21.02992 
1 1 1  -35   16   30 o   45.751   15.642   16.796   11.657   16.796   11.657   0.0000   0.0000   45.751   15.642  ?   ?       ?      ? 
1 1 1  -35   16   31 o   73.280   9.5607   45.123   8.9152   24.926   13.217   61.986   12.076   54.187   16.509   92.373   9.6474 -38.18596 19.12141 
1 1 1  -35   16   32 o   50.580   10.664   20.053   7.9431   28.410   12.392   14.224   10.349   58.451   15.421   42.709   14.732 15.74251 21.32743 
1 1 1  -35   16   33 o   31.520   9.4533   2.8546   7.0617  -0.4853   10.985   5.2073   9.2194   30.339   13.448   32.702   13.289 -2.362898 18.90661 
1 1 1  -35   16   34 o   34.114   9.8121   4.1581   7.1298   11.649   11.499  -0.5202   9.0874   40.380   15.296   27.849   12.294 12.53103 19.62426 
1 1 1  -35   16   35 o   43.942   9.4696   13.628   7.8449  -4.2647   11.856   27.561   10.463   29.159   13.346   58.726   13.438 -29.56677 18.93927 
1 1 1  -35   16   36 o   67.930   9.9505   39.119   8.9962   23.720   13.499   51.424   12.066   52.535   16.789   83.325   10.686 -30.78940 19.90093 
1 1 1  -35   16   37 o   43.438   10.037   14.501   7.8460   1.9321   12.099   23.623   10.307   33.018   14.391   53.857   13.995 -20.83885 20.07396 
1 1 1  -35   16   38 o   60.394   13.316   29.169   10.605   0.0000   0.0000   29.169   10.605  ?   ?    60.394   13.316      ?      ? 
1 1 1  -35   16   39 o   43.745   10.744   15.375   7.7379   14.645   12.195   15.867   10.011   43.217   15.873   44.272   14.484 -1.055664 21.48872 
1 1 1  -35   16   40 o   46.164   10.789   17.844   8.0563   13.015   12.507   21.267   10.532   41.724   15.917   50.604   14.570 -8.879772 21.57852 
1 1 1  -35   16   41 o   31.220   9.1873   0.0248   7.4712 -14.2467   11.366   10.884   9.9141   23.922   11.560   38.518   14.283 -14.59537 18.37466 
1 1 1  -35   16   42 o   36.438   10.386   6.2185   7.9898   14.432   12.575   0.6577   10.347   42.852   16.047   30.023   13.191 12.82911 20.77239 
1 1 1  -35   16   43 o   87.077   13.174   59.587   15.546   59.587   15.546   0.0000   0.0000   87.077   13.174  ?   ?       ?      ? 
1 1 1  -35   16   44 o   86.628   9.6834   61.519   10.657   46.552   15.564   74.733   14.623   73.592   16.057   99.664   10.827 -26.07140 19.36682 
1 1 1  -35   16   45 o   32.037   9.8220   2.2236   8.0254  -2.3548   12.115   5.8033   10.713   30.034   13.648   34.040   14.129 -4.006229 19.64396 
1 1 1  -35   16   46 o   50.531   10.870   22.546   9.0530   9.9966   13.668   32.354   12.083   39.159   16.077   61.904   14.635 -22.74466 21.74066 
1 1 1  -35   16   47 o   23.321   7.9259 -12.5081   7.4910 -22.9172   12.125  -6.0816   9.5268   22.008   10.897   24.635   11.512 -2.626297 15.85182 
1 1 1  -35   16   48 o   40.554   11.084   12.834   8.6264   12.279   13.097   13.259   11.465   40.376   16.032   40.733   15.308 -0.3568001 22.16729 
1 1 1  -35   16   49 o   35.374   9.5837   3.0583   8.2207 -16.8721   12.284   19.223   11.063   23.882   11.649   46.866   15.221 -22.98403 19.16736 
1 1 1  -35   16   50 o   43.573   11.423   16.211   8.8982   18.845   13.582   14.231   11.778   45.744   16.760   41.403   15.525 4.340996 22.84516 
1 1 1  -35   16   51 o   46.612   16.126   19.753   12.404   0.0000   0.0000   19.753   12.404  ?   ?    46.612   16.126      ?      ? 
1 1 1  -35   16   52 o   38.867   10.824   11.422   8.7050   5.3630   12.939   16.433   11.766   34.585   14.979   43.150   15.631 -8.564510 21.64895 
1 1 1  -35   16   53 o   52.511   11.887   26.383   9.5029   28.434   14.441   24.816   12.620   53.713   17.386   51.308   16.216 2.405277 23.77411 
1 1 1  -35   16   54 o   63.433   10.916   38.295   10.216   22.378   15.016   52.011   13.939   47.419   17.579   79.448   12.947 -32.02884 21.83218 
1 1 1  -35   16   55 o   32.549   9.9415   2.3725   8.7112  -8.9410   12.890   11.884   11.819   26.851   12.798   38.247   15.217 -11.39530 19.88301 
1 1 1  -35   16   56 o   30.715   13.960   0.3420   12.683   0.3420   12.683   0.0000   0.0000   30.715   13.960  ?   ?       ?      ? 
1 1 1  -35   16   57 o   44.489   12.011   20.009   10.101   18.345   14.360   21.639   14.212   43.090   16.889   45.887   17.084 -2.796532 24.02271 
1 1 1  -35   16   58 o   62.748   12.343   41.839   11.166   34.642   16.701   47.656   15.016   55.091   18.723   70.405   16.090 -15.31425 24.68674 
1 1 1  -35   16   59 o   45.402   10.751   17.634   10.172  -5.6079   14.878   38.039   13.940   29.262   13.891   61.542   16.413 -32.27971 21.50232 
1 1 1  -35   16   60 o   44.229   11.446   20.224   9.9376   8.3980   14.738   30.083   13.457   35.304   15.617   53.154   16.739 -17.85005 22.89242 
1 1 1  -35   17   33 o   44.478   16.298   16.409   12.844   16.409   12.844   0.0000   0.0000   44.478   16.298  ?   ?       ?      ? 
1 1 1  -35   17   34 o   60.463   10.068   31.938   8.7604   17.667   13.142   43.350   11.752   45.601   16.519   75.325   11.513 -29.72404 20.13566 
1 1 1  -35   17   35 o   41.962   10.496   14.064   8.0539   5.4771   12.480   20.192   10.543   35.187   14.965   48.737   14.722 -13.54995 20.99253 
1 1 1  -35   17   36 o   71.888   13.063   41.625   12.257   0.0000   0.0000   41.625   12.257  ?   ?    71.888   13.063      ?      ? 
1 1 1  -35   17   37 o   41.879   14.704   14.392   10.331   0.0000   0.0000   14.392   10.331  ?   ?    41.879   14.704      ?      ? 
1 1 1  -35   17   38 o   42.696   10.791   15.148   7.8423   15.242   12.142   15.080   10.272   42.832   15.822   42.559   14.678 0.2730446 21.58158 
1 1 1  -35   17   39 o   49.834   10.485   22.334   8.1299   13.430   12.757   28.424   10.550   41.203   15.982   58.465   13.576 -17.26192 20.97001 
1 1 1  -35   17   40 o   38.200   10.411   10.846   7.8059   6.5056   11.943   14.084   10.314   35.132   14.774   41.267   14.672 -6.134991 20.82141 
1 1 1  -35   17   41 o   35.621   10.516   6.9697   8.5657   3.4621   12.219   10.358   12.011   33.150   14.455   38.093   15.277 -4.943340 21.03213 
1 1 1  -35   17   42 o   35.986   15.151   7.3709   12.584   7.3709   12.584   0.0000   0.0000   35.986   15.151  ?   ?       ?      ? 
1 1 1  -35   17   43 o   39.510   10.854   12.113   8.6071   6.6716   12.831   16.564   11.605   35.534   15.144   43.486   15.552 -7.952751 21.70758 
1 1 1  -35   17   44 o   45.663   11.397   18.556   8.8142   23.603   13.257   14.557   11.800   49.970   16.683   41.356   15.533 8.614655 22.79460 
1 1 1  -35   17   45 o   46.472   11.343   20.059   8.7689   17.310   13.045   22.326   11.844   43.745   16.351   49.199   15.726 -5.453835 22.68638 
1 1 1  -35   17   46 o   43.826   11.321   16.945   8.8719   23.024   13.205   11.943   11.978   48.948   16.649   38.705   15.344 10.24378 22.64106 
1 1 1  -35   17   47 o   33.335   10.040   4.7975   8.4042  -3.3888   12.846   10.923   11.112   29.293   13.580   37.377   14.791 -8.083330 20.08001 
1 1 1  -35   17   48 o   29.300   9.4502  -1.1153   8.3481  -4.6035   12.805   1.4629   11.009   28.572   13.351   30.028   13.379 -1.456856 18.90037 
1 1 1  -35   17   49 o   25.727   12.034  -4.9543   10.448   0.0000   0.0000  -4.9543   10.448  ?   ?    25.727   12.034      ?      ? 
1 1 1  -35   17   50 o   33.535   14.268   6.6854   11.353   0.0000   0.0000   6.6854   11.353  ?   ?    33.535   14.268      ?      ? 
1 1 1  -35   17   51 o   34.280   10.399   7.2658   8.6976   4.8238   13.247   9.1164   11.531   33.295   14.763   35.265   14.650 -1.969868 20.79822 
1 1 1  -35   17   52 o   31.976   10.052   3.6710   8.8714  -1.1452   13.771   7.0876   11.599   30.379   14.076   33.572   14.356 -3.192801 20.10495 
1 1 1  -35   17   53 o   39.781   11.479   14.602   9.5296   18.796   15.519   12.063   12.074   42.308   17.223   37.255   15.182 5.053226 22.95861 
1 1 1  -35   17   54 f   35.845   10.877   9.8866   9.4185   12.512   14.175   7.8112   12.603   37.620   15.972   34.071   14.769 3.548683 21.75439 
1 1 1  -35   18   42 o   38.127   10.950   12.312   8.8448   11.585   13.215   12.902   11.904   37.744   15.682   38.510   15.287 -0.7654457 21.90004 
1 1 1  -35   18   43 o   39.123   11.012   13.406   8.6733   17.164   13.379   10.682   11.391   41.895   16.335   36.351   14.772 5.543926 22.02342 
1 1 1  -35   18   44 o   38.283   10.977   13.008   8.8437   12.000   13.920   13.691   11.452   37.787   15.924   38.779   15.115 -0.9915962 21.95470 
1 1 1  -35   18   45 o   45.425   11.352   21.644   9.1883   14.845   14.372   26.343   11.949   39.565   16.389   51.286   15.712 -11.72126 22.70362 
1 1 1  -35   18   46 o   40.489   11.134   16.321   9.0506   11.279   14.125   19.833   11.788   36.871   15.806   44.108   15.685 -7.237347 22.26771 
1 1 1  -34    0    2 o  390.892   7.9460  1039.18   42.052   0.0000   0.0000  1039.18   42.052  390.892   7.9460  390.892   7.9460 -0.000000 0.000000 
1 1 1  -34    0    3 o  169.084   6.5155  194.897   14.879   0.0000   0.0000  194.897   14.879  169.084   6.5155  169.084   6.5155 -0.000000 0.000000 
1 1 1  -34    0    4 o   85.931   8.3495   51.566   9.5120   0.0000   0.0000   51.566   9.5120   85.931   8.3495   85.931   8.3495 -0.000000 0.000000 
1 1 1  -34    0    6 o  177.008   9.8790  215.056   23.528   0.0000   0.0000  215.056   23.528  177.008   9.8790  177.008   9.8790 -0.000000 0.000000 
1 1 1  -34    0    7 o  117.444   7.1179   94.661   11.233   0.0000   0.0000   94.661   11.233  117.444   7.1179  117.444   7.1179 -0.000000 0.000000 
1 1 1  -34    0    8 o  194.926   6.5606  258.740   17.286   0.0000   0.0000  258.740   17.286  194.926   6.5606  194.926   6.5606 -0.000000 0.000000 
1 1 1  -34    0    9 o  232.589   6.6573  368.058   20.944   0.0000   0.0000  368.058   20.944  232.589   6.6573  232.589   6.6573 -0.000000 0.000000 
1 1 1  -34    0   10 o  178.581   6.5965  217.318   15.914   0.0000   0.0000  217.318   15.914  178.581   6.5965  178.581   6.5965 -0.000000 0.000000 
1 1 1  -34    0   11 o  302.058   7.1595  620.421   29.269   0.0000   0.0000  620.421   29.269  302.058   7.1595  302.058   7.1595 -0.000000 0.000000 
1 1 1  -34    0   12 o  438.041   8.5535  1305.12   50.730   0.0000   0.0000  1305.12   50.730  438.041   8.5535  438.041   8.5535 -0.000000 0.000000 
1 1 1  -34    0   13 o  167.619   9.2275  192.684   20.815   0.0000   0.0000  192.684   20.815  167.619   9.2275  167.619   9.2275 -0.000000 0.000000 
1 1 1  -34    0   14 o  216.619   9.2285  320.655   26.978   0.0000   0.0000  320.655   26.978  216.619   9.2285  216.619   9.2285 -0.000000 0.000000 
1 1 1  -34    0   15 o  257.964   9.5582  454.249   33.309   0.0000   0.0000  454.249   33.309  257.964   9.5582  257.964   9.5582 -0.000000 0.000000 
1 1 1  -34    0   16 o  127.423   6.9668  112.277   11.859  116.895   17.007  107.908   16.544  130.036   9.7786  124.810   9.9260 -0.000000 0.000000 
1 1 1  -34    0   17 o   93.867   7.8076   62.429   9.5439   63.091   13.114   61.683   13.916   94.588   10.569   93.145   11.495 -0.000000 0.000000 
1 1 1  -34    0   18 o  139.036   6.6487  133.328   12.379  136.974   17.244  129.451   17.781  141.098   9.1056  136.974   9.6907 -0.000000 0.000000 
1 1 1  -34    0   19 o  256.439   6.7171  448.685   23.265  439.319   32.496  458.534   33.322  253.687   9.4828  259.191   9.5160 -0.000000 0.000000 
1 1 1  -34    0   20 o  218.044   6.5465  324.236   19.244  307.137   26.560  343.133   27.922  211.967   9.2872  224.122   9.2291 -0.000000 0.000000 
1 1 1  -34    0   21 o  152.623   6.6414  160.003   13.612  155.118   18.953  165.205   19.560  150.191   9.3967  155.054   9.3880 -0.000000 0.000000 
1 1 1  -34    0   22 f  437.357   8.5217  1304.82   50.397  1265.42   70.042  1347.12   72.570  430.509   12.027  444.205   12.076 -0.000000 0.000000 
1 1 1  -34    0   23 o  311.230   7.2067  660.951   30.320  661.000   42.753  660.901   43.007  311.248   10.161  311.212   10.223 -0.000000 0.000000 
1 1 1  -34    0   24 o  193.623   9.2961  256.583   24.264  256.583   24.264   0.0000   0.0000  193.623   9.2961  193.623   9.2961 -0.000000 0.000000 
1 1 1  -34    0   25 o  255.705   9.6288  446.442   33.258  446.442   33.258   0.0000   0.0000  255.705   9.6288  255.705   9.6288 -0.000000 0.000000 
1 1 1  -34    0   26 o  200.099   9.3886  273.979   25.331  273.979   25.331   0.0000   0.0000  200.099   9.3886  200.099   9.3886 -0.000000 0.000000 
1 1 1  -34    0   27 o  132.360   7.1015  121.206   12.562  125.897   17.817  116.569   17.714  134.999   9.8597  129.721   10.223 -0.000000 0.000000 
1 1 1  -34    0   28 o  177.848   6.7089  216.878   16.063  216.038   22.815  217.704   22.619  177.490   9.5487  178.206   9.4267 -0.000000 0.000000 
1 1 1  -34    0   29 o  206.662   6.7588  292.284   18.831  290.786   26.918  293.720   26.352  206.113   9.6859  207.211   9.4293 -0.000000 0.000000 
1 1 1  -34    0   30 o   86.007   9.5520   53.946   10.287   57.640   14.793   50.487   14.316   89.249   13.046   82.766   13.956 -0.000000 0.000000 
1 1 1  -34    0   31 o  176.210   6.9172  212.967   16.336  189.370   22.710  238.271   23.517  165.914   10.189  186.507   9.3585 -0.000000 0.000000 
1 1 1  -34    0   32 o  403.443   8.2554  1111.49   45.044  1089.42   63.407  1133.98   64.000  399.372   11.739  407.513   11.611 -0.000000 0.000000 
1 1 1  -34    0   33 o  298.146   7.3375  607.385   29.548  587.587   41.937  626.901   41.638  293.254   10.584  303.038   10.165 -0.000000 0.000000 
1 1 1  -34    0   34 o  404.008   8.3392  1115.15   45.562  1100.86   64.645  1129.26   64.226  401.397   11.908  406.619   11.678 -0.000000 0.000000 
1 1 1  -34    0   35 o  494.299   9.3689  1670.71   62.642  1686.35   89.669  1655.81   87.548  496.528   13.348  492.071   13.150 -0.000000 0.000000 
1 1 1  -34    0   36 o  150.025   7.6116  154.921   15.213  161.692   22.886  149.559   20.364  152.876   11.184  147.174   10.327 -0.000000 0.000000 
1 1 1  -34    0   37 o  654.183   11.447  2936.93  101.335  2954.56  144.324  2919.78  142.316  656.089   16.255  652.277   16.123 -0.000000 0.000000 
1 1 1  -34    0   38 o  242.545   7.0602  402.312   23.102  402.551   33.257  402.088   32.115  242.576   10.157  242.514   9.8087 -0.000000 0.000000 
1 1 1  -34    0   39 o  220.903   9.6901  333.891   28.881   0.0000   0.0000  333.891   28.881  220.903   9.6901  220.903   9.6901 -0.000000 0.000000 
1 1 1  -34    0   40 o  170.491   9.8696  199.764   22.628   0.0000   0.0000  199.764   22.628  170.491   9.8696  170.491   9.8696 -0.000000 0.000000 
1 1 1  -34    0   41 o  359.463   7.9141  882.955   38.458  885.515   55.024  880.510   53.772  359.943   11.306  358.983   11.077 -0.000000 0.000000 
1 1 1  -34    0   42 o  136.096   7.6426  128.549   13.857  128.095   20.275  128.946   18.982  135.749   11.197  136.444   10.405 -0.000000 0.000000 
1 1 1  -34    0   43 o  272.317   7.2578  507.430   26.678  490.866   37.961  523.594   37.500  267.848   10.495  276.786   10.028 -0.000000 0.000000 
1 1 1  -34    0   44 o  640.297   11.308  2817.70   97.978  2800.18  138.683  2835.15  138.440  638.270   16.057  642.324   15.927 -0.000000 0.000000 
1 1 1  -34    0   45 o  113.623   8.6222   90.855   12.888   95.099   18.867   87.142   17.646  116.144   12.303  111.103   12.083 -0.000000 0.000000 
1 1 1  -34    0   46 o  383.931   8.2786  1006.96   42.944  955.292   59.446  1063.36   62.104  373.599   11.768  394.263   11.647 -0.000000 0.000000 
1 1 1  -34    0   47 o  252.065   10.462  435.231   35.598  435.231   35.598   0.0000   0.0000  252.065   10.462  252.065   10.462 -0.000000 0.000000 
1 1 1  -34    0   48 o  139.062   8.0919  136.090   14.728  109.727   20.894  162.128   20.764  124.850   12.647  153.274   10.098 -0.000000 0.000000 
1 1 1  -34    0   49 o  251.085   7.3129  431.657   24.764  438.666   35.903  425.296   34.203  252.991   10.514  249.178   10.167 -0.000000 0.000000 
1 1 1  -34    0   50 f  358.444   8.0463  880.256   38.978  866.992   55.667  893.016   54.596  355.719   11.576  361.168   11.179 -0.000000 0.000000 
1 1 1  -34    0   51 o  471.042   9.2390  1523.23   58.863  1508.80   83.719  1537.33   82.780  468.767   13.203  473.317   12.928 -0.000000 0.000000 
1 1 1  -34    0   52 o  357.100   8.0334  873.593   38.753  884.501   56.122  863.653   53.577  359.165   11.558  355.036   11.161 -0.000000 0.000000 
1 1 1  -34    0   53 o  174.861   7.4181  210.661   17.359  214.336   25.855  207.645   23.422  176.128   10.929  173.595   10.033 -0.000000 0.000000 
1 1 1  -34    0   54 o   51.826   14.293   26.629   10.619   16.239   16.542   33.913   13.849   40.234   21.745   63.418   18.554 -0.000000 0.000000 
1 1 1  -34    0   55 o   44.828   12.272   19.112   9.7907  -0.9137   15.468   32.497   12.646   26.885   17.514   62.771   17.195 -0.000000 0.000000 
1 1 1  -34    0   56 o  139.414   7.9291  133.526   14.603  149.529   22.740  122.295   19.050  146.395   11.632  132.434   10.779 -0.000000 0.000000 
1 1 1  -34    0   57 o  322.292   7.7892  713.835   33.879  712.215   49.222  715.294   46.703  321.818   11.318  322.766   10.704 -0.000000 0.000000 
1 1 1  -34    0   58 o  254.669   10.056  445.629   34.581   0.0000   0.0000  445.629   34.581  254.669   10.056  254.669   10.056 -0.000000 0.000000 
1 1 1  -34    0   59 o  199.994   10.038  275.747   27.048   0.0000   0.0000  275.747   27.048  199.994   10.038  199.994   10.038 -0.000000 0.000000 
1 1 1  -34    0   60 o  291.569   7.7044  585.480   30.222  587.531   44.818  583.770   40.926  291.825   11.372  291.313   10.397 -0.000000 0.000000 
1 1 1  -34    0   61 o  141.568   8.1073  139.008   15.118  148.861   23.658  132.207   19.655  145.539   12.192  137.596   10.690 -0.000000 0.000000 
1 1 1  -34    0   62 f   65.102   14.580   37.087   11.101   38.198   18.044   36.411   14.082   64.158   22.787   66.045   18.194 -0.000000 0.000000 
1 1 1  -34    0   63 o   89.677   11.078   58.127   11.867   78.009   19.128   45.683   15.132  103.153   14.508   76.200   16.744 -0.000000 0.000000 
1 1 1  -34    0   64 o   55.436   22.955   30.745   17.141   30.745   17.141   0.0000   0.0000   55.436   22.955   55.436   22.955 -0.000000 0.000000 
1 1 1  -34    0   65 o  300.100   11.307  624.363   45.834  624.363   45.834   0.0000   0.0000  300.100   11.307  300.100   11.307 -0.000000 0.000000 
1 1 1  -34    0   66 o  119.910   8.6498  101.860   13.597  108.391   20.901   97.068   17.903  122.989   12.863  116.832   11.568 -0.000000 0.000000 
1 1 1  -34    0   67 o  124.898   8.6321  113.305   13.884   96.780   20.732  126.740   18.694  115.424   13.773  134.372   10.410 -0.000000 0.000000 
1 1 1  -34    0   68 o  152.042   7.7780  163.477   15.647  154.690   23.536  170.437   20.947  147.824   11.928  156.260   9.9858 -0.000000 0.000000 
1 1 1  -34    0   69 o  160.824   7.6382  182.981   16.232  171.703   24.620  191.651   21.588  155.802   11.817  165.846   9.6809 -0.000000 0.000000 
1 1 1  -34    0   70 o   66.522   13.375   40.077   10.433   32.084   16.822   45.072   13.300   56.399   22.638   76.645   14.252 -0.000000 0.000000 
1 1 1  -34    0   71 o   31.392   12.113   8.4541   8.9351  -8.0205   15.554   16.568   10.916   23.091   15.788   39.693   18.375 -0.000000 0.000000 
1 1 1  -34    0   72 o  162.777   7.5933  187.948   16.319  179.278   24.989  194.395   21.549  158.816   11.759  166.738   9.6099 -0.000000 0.000000 
1 1 1  -34    0   73 o   31.120   17.325   10.009   10.836   0.0000   0.0000   10.009   10.836   31.120   17.325   31.120   17.325 -0.000000 0.000000 
1 1 1  -34    0   74 o   93.928   12.103   64.894   14.702   0.0000   0.0000   64.894   14.702   93.928   12.103   93.928   12.103 -0.000000 0.000000 
1 1 1  -34    0   75 f   54.539   18.171   27.426   11.964   0.0000   0.0000   27.426   11.964   54.539   18.171   54.539   18.171 -0.000000 0.000000 
1 1 1  -34    0   76 o   18.670   12.733  -4.9416   9.9757   0.0000   0.0000  -4.9416   9.9757   18.670   12.733   18.670   12.733 -0.000000 0.000000 
1 1 1  -34    0   77 o   51.410   18.480   25.364   11.782   0.0000   0.0000   25.364   11.782   51.410   18.480   51.410   18.480 -0.000000 0.000000 
1 1 1  -34    1    1 o  188.737   6.3755  242.156   16.306   0.0000   0.0000  242.156   16.306  ?   ?   188.737   6.3755      ?      ? 
1 1 1  -34    1    2 o  234.254   4.6385  373.158   14.722  367.841   20.903  378.392   20.739  232.589   6.6318  235.919   6.4871 -3.330002 9.277029 
1 1 1  -34    1    3 f  129.590   4.7274  114.209   8.2984  113.582   11.892  114.804   11.586  129.237   6.7902  129.944   6.5793 -0.7075653 9.454830 
1 1 1  -34    1    4 o  233.244   4.6569  369.913   14.718  365.914   20.894  373.851   20.735  231.986   6.6462  234.503   6.5248 -2.517136 9.313714 
1 1 1  -34    1    5 o  464.793   7.6483  1479.68   45.411  1469.23   78.457  1484.94   55.688  462.850   12.509  466.737   8.8045 -3.887115 15.29653 
1 1 1  -34    1    6 o  208.689   5.6511  299.373   15.061  287.929   25.830  305.268   18.539  205.461   9.2771  211.918   6.4555 -6.456711 11.30216 
1 1 1  -34    1    7 o  219.680   5.6659  328.020   15.898  330.328   27.586  326.873   19.453  220.079   9.2497  219.281   6.5464 0.7973785 11.33190 
1 1 1  -34    1    8 o  404.572   11.497  1120.18   63.032  1120.18   63.032   0.0000   0.0000  404.572   11.497  ?   ?       ?      ? 
1 1 1  -34    1    9 o  250.891   5.7938  419.722   18.588  455.465   32.737  402.718   22.580  258.417   9.3484  243.364   6.8469 15.05348 11.58756 
1 1 1  -34    1   10 o  399.367   8.1268  1086.04   43.982  1086.04   43.982   0.0000   0.0000  399.367   8.1268  ?   ?       ?      ? 
1 1 1  -34    1   11 o  163.976   4.7268  182.802   10.503  185.087   14.848  180.512   14.858  165.005   6.6403  162.946   6.7289 2.059280 9.453681 
1 1 1  -34    1   12 o  165.001   4.7211  185.090   10.556  183.199   14.942  186.973   14.914  164.156   6.7168  165.845   6.6362 -1.689041 9.442203 
1 1 1  -34    1   13 o  370.759   5.5258  935.540   27.761  921.325   39.082  950.019   39.442  367.911   7.8387  373.607   7.7905 -5.695618 11.05158 
1 1 1  -34    1   14 o  177.305   5.2025  208.577   10.995  203.008   12.722  225.015   21.856  172.905   5.4298  181.705   8.8760 -8.800613 10.40510 
1 1 1  -34    1   15 o  583.920   8.4668  2337.18   58.181  2339.78   67.337  2329.52  115.560  586.086   8.4784  581.753   14.658 4.332825 16.93369 
1 1 1  -34    1   16 o  330.935   5.9516  732.884   23.158  720.041   26.661  772.351   46.737  325.550   6.0434  336.320   10.255 -10.77032 11.90312 
1 1 1  -34    1   17 o  204.176   4.5489  283.200   12.583  289.966   18.019  276.760   17.580  206.554   6.4374  201.797   6.4287 4.757263 9.097726 
1 1 1  -34    1   18 o  338.677   6.4185  770.153   27.493  814.565   49.189  749.975   33.156  345.322   10.511  332.031   7.3688 13.29056 12.83699 
1 1 1  -34    1   19 o  586.671   9.0588  2373.15   68.006  2320.47  116.585  2400.31   83.726  580.522   14.820  592.820   10.422 -12.29767 18.11757 
1 1 1  -34    1   20 o  173.401   6.4361  204.356   15.124   0.0000   0.0000  204.356   15.124  ?   ?   173.401   6.4361      ?      ? 
1 1 1  -34    1   21 o  367.357   6.6743  922.584   31.359  913.829   54.028  927.032   38.510  365.637   10.904  369.078   7.6997 -3.441559 13.34853 
1 1 1  -34    1   22 o  161.762   5.6681  180.816   11.694  170.042   19.985  186.425   14.420  157.905   9.3396  165.619   6.4250 -7.713318 11.33618 
1 1 1  -34    1   23 o  166.431   4.6541  188.333   10.494  185.730   14.942  190.868   14.742  165.289   6.6707  167.574   6.4919 -2.285416 9.308226 
1 1 1  -34    1   24 o  398.092   5.7120  1079.05   30.815  1078.10   43.577  1080.01   43.580  397.915   8.0813  398.269   8.0747 -0.3531494 11.42407 
1 1 1  -34    1   25 o  258.907   4.8323  455.754   16.953  461.534   24.098  450.090   23.855  260.533   6.8255  257.280   6.8421 3.252563 9.664502 
1 1 1  -34    1   26 o  408.817   5.8011  1138.23   32.138  1133.01   45.457  1143.45   45.443  407.874   8.2242  409.760   8.1838 -1.885956 11.60225 
1 1 1  -34    1   27 o  236.540   5.8111  379.424   17.603  376.076   21.571  386.100   30.459  235.180   6.7683  237.900   9.4480 -2.719559 11.62216 
1 1 1  -34    1   28 o  218.801   5.8284  327.519   16.300  330.487   20.023  321.688   28.064  220.470   6.7019  217.131   9.5376 3.339172 11.65687 
1 1 1  -34    1   29 o  474.273   7.8657  1556.08   47.876  1595.12   59.334  1483.22   81.051  483.660   9.0527  464.886   12.866 18.77377 15.73131 
1 1 1  -34    1   30 o  244.609   4.8303  406.872   16.011  410.357   22.757  403.456   22.530  245.646   6.8362  243.573   6.8258 2.072906 9.660509 
1 1 1  -34    1   31 o  136.712   5.0301  127.043   9.3144  132.527   13.374  121.878   12.980  139.577   7.0710  133.846   7.1560 5.731598 10.06019 
1 1 1  -34    1   32 o  248.899   4.9069  421.260   16.544  405.195   23.202  437.874   23.596  244.062   7.0154  253.735   6.8625 -9.672394 9.813711 
1 1 1  -34    1   33 o  201.911   4.9045  277.355   13.417  273.097   19.042  281.553   18.908  200.363   7.0132  203.459   6.8579 -3.095963 9.808976 
1 1 1  -34    1   34 o  285.284   5.1353  553.860   19.852  545.938   28.062  561.796   28.087  283.234   7.3112  287.335   7.2132 -4.100708 10.27058 
1 1 1  -34    1   35 o  220.904   4.9749  331.749   14.887  344.077   21.377  320.140   20.743  224.888   7.0144  216.919   7.0567 7.968948 9.949812 
1 1 1  -34    1   36 o  308.553   5.2322  648.044   21.877  648.871   31.018  647.225   30.861  308.746   7.4137  308.360   7.3852 0.3864136 10.46447 
1 1 1  -34    1   37 o  277.502   6.0736  514.166   21.624  492.601   26.353  558.607   37.832  269.034   7.2284  285.970   9.7623 -16.93631 12.14710 
1 1 1  -34    1   38 o  256.929   5.9449  439.904   19.692  418.734   24.096  482.474   34.170  248.045   7.1684  265.814   9.4859 -17.76901 11.88987 
1 1 1  -34    1   39 o  287.512   5.1092  561.956   19.893  584.758   28.751  541.013   27.554  293.098   7.2386  281.927   7.2122 11.17160 10.21832 
1 1 1  -34    1   40 o  138.422   5.1963  130.391   9.7438  132.727   14.010  128.202   13.560  139.618   7.4050  137.227   7.2919 2.390289 10.39263 
1 1 1  -34    1   41 o  128.786   6.4163  112.173   10.615  116.522   18.338  109.981   13.017  130.498   10.370  127.073   7.5594 3.425423 12.83266 
1 1 1  -34    1   42 o  144.269   6.3253  143.631   11.655  137.331   19.948  146.895   14.360  141.654   10.392  146.884   7.2146 -5.229843 12.65056 
1 1 1  -34    1   43 o  132.678   5.3946  120.151   9.6801  112.405   13.771  127.717   13.610  128.416   7.9131  136.941   7.3342 -8.524658 10.78927 
1 1 1  -34    1   44 o  378.224   5.7193  975.287   29.310  989.133   41.876  961.988   41.039  380.847   8.1139  375.600   8.0628 5.247040 11.43867 
1 1 1  -34    1   45 o  211.924   6.2638  306.869   16.720  306.325   29.722  307.121   20.223  211.477   10.371  212.371   7.0270 -0.8938293 12.52769 
1 1 1  -34    1   46 o  135.460   6.9711  127.995   11.784  119.252   20.908  132.065   14.266  131.725   11.713  139.195   7.5629 -7.470230 13.94228 
1 1 1  -34    1   47 o  256.971   5.1191  449.964   17.826  449.574   25.288  450.350   25.132  256.855   7.2651  257.087   7.2139 -0.2318726 10.23827 
1 1 1  -34    1   48 o  129.760   7.2429  119.192   11.732  125.991   14.314  105.278   20.478  135.902   7.7724  123.618   12.224 12.28387 14.48578 
1 1 1  -34    1   49 o  388.951   7.2670  1039.66   35.919  1043.48   43.836  1031.85   62.662  390.874   8.2759  387.028   11.948 3.845917 14.53391 
1 1 1  -34    1   50 o  342.671   5.5428  801.340   25.735  816.806   36.780  786.505   36.022  345.906   7.8463  339.435   7.8312 6.471771 11.08570 
1 1 1  -34    1   51 o  154.300   5.3223  162.377   11.113  174.628   15.936  150.777   15.506  159.988   7.3502  148.612   7.6994 11.37617 10.64453 
1 1 1  -34    1   52 o  270.938   5.1900  500.612   19.048  517.517   27.368  484.728   26.529  275.373   7.3341  266.504   7.3456 8.869324 10.38009 
1 1 1  -34    1   53 o  224.835   5.0845  344.962   15.490  349.647   22.098  340.436   21.719  226.332   7.2047  223.337   7.1763 2.994476 10.16891 
1 1 1  -34    1   54 o  171.408   5.2029  200.580   12.081  204.607   17.376  196.811   16.808  173.064   7.4090  169.753   7.3067 3.310257 10.40581 
1 1 1  -34    1   55 o  129.880   5.6902  115.460   10.014  117.950   14.233  113.019   14.092  131.274   8.0008  128.486   8.0932 2.788071 11.38034 
1 1 1  -34    1   56 o  106.158   6.1921   77.302   8.9055   79.332   12.766   75.377   12.430  107.514   8.7619  104.802   8.7520 2.712509 12.38417 
1 1 1  -34    1   57 o  293.510   6.3726  590.715   24.202  587.302   30.030  597.041   40.878  292.921   7.5653  294.098   10.257 -1.176941 12.74511 
1 1 1  -34    1   58 o  126.533   5.8754  109.863   10.067  104.300   14.103  115.644   14.376  123.241   8.4443  129.825   8.1716 -6.584007 11.75076 
1 1 1  -34    1   59 o  185.371   6.2583  236.891   14.982  235.189   25.292  237.811   18.595  184.413   10.121  186.328   7.3644 -1.914566 12.51664 
1 1 1  -34    1   60 o  166.434   5.3832  189.921   12.138  195.101   17.408  185.020   16.934  168.641   7.6172  164.228   7.6088 4.412720 10.76642 
1 1 1  -34    1   61 o  144.043   5.5281  142.498   10.760  128.586   15.005  157.228   15.439  136.735   8.0978  151.351   7.5276 -14.61580 11.05623 
1 1 1  -34    1   62 o   92.050   6.7493   58.952   8.3662   51.745   11.873   66.059   11.790   86.306   10.152   97.795   8.8965 -11.48879 13.49860 
1 1 1  -34    1   63 o  148.039   6.9846  147.777   12.856  163.817   23.928  141.267   15.244  152.839   11.553  143.239   7.8532 9.599915 13.96915 
1 1 1  -34    1   64 o   56.821   9.9597   27.109   8.7050   3.7020   15.615   37.663   10.485   40.222   16.903   73.419   10.539 -33.19693 19.91932 
1 1 1  -34    1   65 o  114.595   7.8275   89.189   11.109   84.896   13.128  100.013   20.846  110.665   8.7542  118.524   12.979 -7.858101 15.65501 
1 1 1  -34    1   66 o  159.104   5.3193  174.737   11.462  181.076   16.175  168.343   16.244  162.062   7.3649  156.145   7.6771 5.917938 10.63860 
1 1 1  -34    1   67 o  148.147   5.4053  151.681   10.827  138.554   15.130  165.460   15.501  141.482   7.8914  154.811   7.3887 -13.32951 10.81051 
1 1 1  -34    1   68 o  140.577   5.4383  136.891   10.350  144.040   14.677  129.818   14.599  144.302   7.5056  136.853   7.8719 7.449188 10.87661 
1 1 1  -34    1   69 o  131.294   5.5182  119.612   9.8173  117.945   13.783  121.329   13.986  130.367   7.8020  132.222   7.8057 -1.855286 11.03635 
1 1 1  -34    1   70 o  139.263   5.4220  134.669   10.227  128.833   14.347  140.700   14.583  136.148   7.7760  142.379   7.5582 -6.231216 10.84402 
1 1 1  -34    1   71 o   95.130   6.2431   63.433   8.0423   60.180   11.191   66.908   11.565   92.576   8.9205   97.683   8.7368 -5.107399 12.48625 
1 1 1  -34    1   72 o  106.160   6.7963   78.224   9.4968   73.434   11.932   86.502   15.686  102.268   8.6099  110.052   10.518 -7.783447 13.59265 
1 1 1  -34    1   73 o  114.770   6.6208   93.271   9.9898   93.070   12.694   93.598   16.192  115.227   8.1292  114.313   10.453 0.9140930 13.24161 
1 1 1  -34    1   74 o  169.027   6.9304  203.860   15.867  206.058   22.834  201.807   22.065  169.800   9.9233  168.253   9.6772 1.546265 13.86071 
1 1 1  -34    1   75 o  141.624   7.1055  144.042   13.629  139.466   19.334  148.562   19.217  139.229   10.247  144.019   9.8463 -4.790558 14.21103 
1 1 1  -34    1   76 o  104.600   7.6454   79.217   10.797   89.058   15.740   70.468   14.840  110.935   10.470   98.265   11.144 12.67080 15.29082 
1 1 1  -34    1   77 o  143.684   7.0072  148.579   13.632  156.749   19.718  141.100   18.867  147.501   9.8648  139.868   9.9543 7.632172 14.01436 
1 1 1  -34    1   78 o   68.001   13.778   36.246   12.261   0.0000   0.0000   36.246   12.261  ?   ?    68.001   13.778      ?      ? 
1 1 1  -34    2    1 o  278.172   4.8408  525.874   18.237  538.489   26.361  514.294   25.256  281.358   6.9138  274.986   6.7775 6.372589 9.681649 
1 1 1  -34    2    2 o  207.421   5.6254  294.985   15.056  299.640   18.716  286.449   25.344  209.923   6.5792  204.918   9.1266 5.004623 11.25085 
1 1 1  -34    2    3 o  472.687   7.7641  1545.35   47.278  1585.10   58.843  1472.96   79.411  482.100   9.0068  463.275   12.649 18.82498 15.52819 
1 1 1  -34    2    4 o  251.626   5.8400  435.472   18.879  444.783   23.393  418.081   31.972  255.746   6.7498  247.505   9.5323 8.240952 11.68010 
1 1 1  -34    2    5 o  343.591   6.4730  806.634   28.523  809.680   35.114  800.728   48.901  344.916   7.5126  342.267   10.543 2.648560 12.94600 
1 1 1  -34    2    6 o  163.406   4.6099  181.579   10.202  179.681   14.632  183.374   14.232  162.564   6.6421  164.247   6.3944 -1.682541 9.219815 
1 1 1  -34    2    7 o  176.996   4.5801  212.721   10.976  218.414   15.929  207.575   15.146  179.241   6.5579  174.751   6.3957 4.489914 9.160297 
1 1 1  -34    2    8 o  116.372   5.0017   92.404   7.8626   86.240   11.304   98.180   10.943  112.579   7.4097  120.165   6.7203 -7.586372 10.00330 
1 1 1  -34    2    9 o  143.458   4.7507  139.462   9.2167  152.389   13.444  127.999   12.660  149.716   6.6262  137.200   6.8094 12.51617 9.501308 
1 1 1  -34    2   10 o  225.068   4.6998  344.281   14.330  348.192   20.572  340.594   19.972  226.302   6.7082  223.833   6.5843 2.468857 9.399620 
1 1 1  -34    2   11 o  319.455   5.1637  694.357   22.351  684.579   31.697  704.026   31.522  317.205   7.3738  321.704   7.2306 -4.499359 10.32734 
1 1 1  -34    2   12 o  272.538   5.8871  512.248   20.578  526.396   25.496  485.808   34.854  278.247   6.7618  266.830   9.6391 11.41693 11.77429 
1 1 1  -34    2   13 o  385.271   6.8051  991.208   33.432  951.473   40.508  1076.10   59.209  373.832   7.9961  396.710   11.014 -22.87726 13.61018 
1 1 1  -34    2   14 o  234.163   9.8616  374.243   31.293  374.243   31.293   0.0000   0.0000  234.163   9.8616  ?   ?       ?      ? 
1 1 1  -34    2   15 o   84.576   13.645   49.145   15.638   49.145   15.638   0.0000   0.0000   84.576   13.645  ?   ?       ?      ? 
1 1 1  -34    2   16 o  246.920   5.7443  413.325   18.296  409.240   22.588  421.117   31.198  245.337   6.7941  248.503   9.2643 -3.166809 11.48854 
1 1 1  -34    2   17 o  121.875   6.0980  103.595   9.5701  109.684   12.019   93.048   15.819  127.000   6.9837  116.750   9.9986 10.25021 12.19608 
1 1 1  -34    2   18 o  244.016   5.4292  406.610   15.792  408.148   18.407  402.322   30.736  245.151   5.5408  242.882   9.3383 2.268814 10.85841 
1 1 1  -34    2   19 o  111.988   7.1071   85.299   10.786   85.299   10.786   0.0000   0.0000  111.988   7.1071  ?   ?       ?      ? 
1 1 1  -34    2   20 o  242.410   4.6988  399.445   15.435  402.894   21.964  396.081   21.694  243.442   6.6579  241.378   6.6322 2.064102 9.397597 
1 1 1  -34    2   21 o  400.727   8.0458  1093.36   43.692   0.0000   0.0000  1093.36   43.692  ?   ?   400.727   8.0458      ?      ? 
1 1 1  -34    2   22 o  275.186   6.0317  516.386   21.049  514.627   36.938  517.232   25.615  274.572   9.9274  275.801   6.8534 -1.229065 12.06330 
1 1 1  -34    2   23 o  342.147   6.5532  806.821   28.588  772.879   49.123  824.205   35.155  336.256   10.780  348.038   7.4538 -11.78180 13.10633 
1 1 1  -34    2   24 o  235.088   4.7070  375.760   14.991  364.073   21.141  387.580   21.261  231.401   6.7417  238.775   6.5707 -7.374237 9.414049 
1 1 1  -34    2   25 o  163.028   4.6854  180.876   10.341  174.397   14.774  187.099   14.479  160.148   6.8074  165.909   6.4398 -5.760361 9.370810 
1 1 1  -34    2   26 o  116.691   5.1000   92.651   8.0608   92.036   11.559   93.233   11.247  116.306   7.3338  117.076   7.0891 -0.7698288 10.19997 
1 1 1  -34    2   27 o  196.228   4.6613  261.830   12.391  253.681   17.507  270.010   17.540  193.158   6.6883  199.298   6.4945 -6.139481 9.322680 
1 1 1  -34    2   28 o  173.649   4.7185  205.242   11.082  189.878   15.634  220.753   15.709  167.090   6.9048  180.208   6.4328 -13.11755 9.437026 
1 1 1  -34    2   29 o  368.423   5.5195  924.065   27.555  908.361   38.801  940.044   39.139  365.258   7.8389  371.589   7.7725 -6.330627 11.03905 
1 1 1  -34    2   30 o  271.747   6.1288  497.038   21.173  485.504   25.672  521.571   37.441  267.147   7.0914  276.347   9.9980 -9.200226 12.25756 
1 1 1  -34    2   31 f  499.899   8.1724  1713.15   52.135  1716.58   63.849  1706.29   90.309  501.554   9.3940  498.244   13.375 3.310028 16.34471 
1 1 1  -34    2   32 o  209.849   4.8957  299.665   13.916  293.937   19.849  305.202   19.515  207.862   7.0467  211.837   6.7981 -3.975174 9.791345 
1 1 1  -34    2   33 o  298.398   5.1801  606.038   20.944  601.492   29.779  610.489   29.463  297.279   7.3920  299.518   7.2589 -2.238800 10.36024 
1 1 1  -34    2   34 o  430.283   7.3391  1250.04   40.331  1219.82   49.115  1312.60   70.667  423.007   8.5681  437.559   11.918 -14.55188 14.67817 
1 1 1  -34    2   35 o  139.531   6.0638  132.172   11.060  130.633   13.879  134.850   18.308  138.533   7.3930  140.528   9.6137 -1.995590 12.12768 
1 1 1  -34    2   36 o  194.458   4.8872  257.262   12.870  244.988   18.095  269.827   18.309  189.749   7.0371  199.166   6.7836 -9.416855 9.774324 
1 1 1  -34    2   37 f  213.516   4.8659  309.631   14.066  327.111   20.360  293.666   19.457  219.275   6.8517  207.757   6.9110 11.51898 9.731778 
1 1 1  -34    2   38 o   94.865   6.0544   61.725   7.7362   56.761   11.266   66.154   10.642   91.194   9.1162   98.535   7.9699 -7.341362 12.10882 
1 1 1  -34    2   39 o  161.679   4.9955  177.917   10.938  177.627   15.737  178.188   15.215  161.539   7.1888  161.819   6.9383 -0.2804260 9.990968 
1 1 1  -34    2   40 o  217.054   4.9171  319.938   14.448  338.057   21.001  303.659   19.907  222.876   6.9534  211.233   6.9543 11.64342 9.834201 
1 1 1  -34    2   41 o  192.755   4.9223  252.376   12.844  264.749   18.683  241.287   17.686  197.222   6.9906  188.287   6.9316 8.934540 9.844538 
1 1 1  -34    2   42 o  285.503   6.3197  556.745   22.907  555.809   40.119  557.197   27.902  284.946   10.390  286.061   7.1976 -1.114594 12.63936 
1 1 1  -34    2   43 o  206.286   6.9279  289.685   19.367   0.0000   0.0000  289.685   19.367  ?   ?   206.286   6.9279      ?      ? 
1 1 1  -34    2   44 o  354.126   6.8711  850.210   30.729  878.709   54.814  837.149   37.109  357.827   11.304  350.425   7.8146 7.401917 13.74223 
1 1 1  -34    2   45 o  488.034   6.5984  1628.24   43.636  1640.50   62.126  1616.30   61.304  489.834   9.3592  486.234   9.3038 3.599915 13.19680 
1 1 1  -34    2   46 o  258.251   5.1293  454.408   17.947  455.926   25.671  452.957   25.099  258.658   7.3238  257.843   7.1833 0.8153687 10.25856 
1 1 1  -34    2   47 o  424.726   6.1011  1232.09   35.111  1249.35   50.179  1215.53   49.145  427.628   8.6590  421.825   8.5974 5.803528 12.20220 
1 1 1  -34    2   48 o  116.846   5.8760   93.082   9.2960   97.781   13.475   88.815   12.841  119.655   8.3104  114.037   8.3093 5.617889 11.75191 
1 1 1  -34    2   49 o  309.139   6.6304  645.854   25.935  631.020   31.319  678.222   46.264  304.119   7.5995  314.159   10.867 -10.04004 13.26071 
1 1 1  -34    2   50 o   96.465   8.4531   66.015   10.047   68.906   12.098   59.587   18.037  100.347   8.8965   92.583   14.376 7.763763 16.90624 
1 1 1  -34    2   51 o  239.212   5.1135  389.869   16.555  363.413   22.996  418.336   23.854  230.770   7.3533  247.653   7.1077 -16.88245 10.22691 
1 1 1  -34    2   52 o  253.053   5.1539  437.083   17.674  437.766   25.060  436.408   24.930  253.246   7.3022  252.860   7.2753 0.3862457 10.30789 
1 1 1  -34    2   53 o  154.099   5.3479  162.207   11.166  165.860   15.924  158.673   15.662  155.809   7.5418  152.389   7.5844 3.419952 10.69585 
1 1 1  -34    2   54 o  435.766   6.2456  1302.18   36.881  1302.97   52.257  1301.40   52.060  435.889   8.8467  435.642   8.8184 0.2466431 12.49115 
1 1 1  -34    2   55 o  218.994   6.1007  330.229   17.424  333.898   21.927  323.942   28.700  221.021   7.3208  216.967   9.7611 4.053055 12.20137 
1 1 1  -34    2   56 f  263.043   6.1987  470.430   21.141  459.425   26.187  491.029   35.827  259.147   7.4568  266.940   9.9040 -7.792419 12.39732 
1 1 1  -34    2   57 o  137.652   5.5809  129.897   10.407  127.744   14.824  131.990   14.614  136.503   8.0137  138.801   7.7695 -2.298431 11.16171 
1 1 1  -34    2   58 o  242.049   5.1987  400.987   17.048  411.802   24.402  390.677   23.827  245.238   7.3428  238.859   7.3612 6.379379 10.39730 
1 1 1  -34    2   59 f  195.930   5.2988  263.411   14.052  250.013   19.945  276.616   19.801  190.912   7.7093  200.948   7.2715 -10.03586 10.59752 
1 1 1  -34    2   60 o  265.648   6.3320  485.792   21.600  489.393   37.030  483.935   26.592  265.651   10.286  265.646   7.3871 0.5249023E-02 12.66408 
1 1 1  -34    2   61 o  143.986   5.5197  142.684   10.741  130.339   15.142  155.188   15.239  137.625   8.1192  150.346   7.4797 -12.72176 11.03935 
1 1 1  -34    2   62 o  157.632   6.7751  169.249   13.376  180.293   24.361  164.482   16.005  160.595   11.194  154.668   7.6360 5.927307 13.55021 
1 1 1  -34    2   63 o  193.951   5.1866  258.615   13.626  257.886   19.545  259.304   19.006  193.642   7.4482  194.260   7.2198 -0.6184082 10.37312 
1 1 1  -34    2   64 o   71.200   8.1793   36.575   7.5706   29.165   10.742   43.889   10.671   63.044   13.005   79.357   9.9233 -16.31284 16.35864 
1 1 1  -34    2   65 o  162.301   6.9057  188.729   13.951  197.482   16.952  170.359   24.558  169.291   7.3894  155.312   11.668 13.97864 13.81144 
1 1 1  -34    2   66 o  201.421   6.6329  287.609   16.734  295.990   20.329  269.998   29.470  207.207   7.2400  195.635   11.116 11.57179 13.26575 
1 1 1  -34    2   67 o  152.423   5.3414  160.498   11.014  173.822   15.809  147.933   15.352  158.645   7.3537  146.202   7.7490 12.44328 10.68286 
1 1 1  -34    2   68 o  145.084   5.4170  145.844   10.646  151.004   15.091  140.732   15.021  147.689   7.5400  142.480   7.7798 5.209259 10.83408 
1 1 1  -34    2   69 o   89.354   6.5561   55.994   7.9123   62.049   11.339   50.247   11.046   94.186   8.8839   84.521   9.6441 9.665215 13.11226 
1 1 1  -34    2   70 o   61.757   8.5440   27.947   6.9966   33.000   10.071   23.234   9.7270   68.031   10.925   55.484   13.140 12.54650 17.08790 
1 1 1  -34    2   71 o  200.132   6.0642  278.185   15.765  271.812   19.590  289.893   26.555  197.825   7.3077  202.439   9.6797 -4.614456 12.12839 
1 1 1  -34    2   72 o  115.524   6.5559   92.048   9.9766   85.142   12.521  104.054   16.509  110.169   8.3872  120.879   10.078 -10.71024 13.11182 
1 1 1  -34    2   73 o   98.254   7.0488   68.681   9.1820   67.859   11.809   69.938   14.603   98.022   8.8898   98.487   10.941 -0.4653168 14.09761 
1 1 1  -34    2   74 o  204.016   6.9552  297.301   19.221  307.578   27.635  287.669   26.753  207.434   9.8308  200.598   9.8414 6.836868 13.91035 
1 1 1  -34    2   75 o   66.792   9.9864   34.109   8.9780   46.301   13.278   23.842   12.186   79.098   12.388   54.487   15.667 24.61047 19.97271 
1 1 1  -34    2   76 o   54.462   10.793   23.829   8.2799   24.345   11.964   23.354   11.471   54.949   15.431   53.975   15.094 0.9739647 21.58563 
1 1 1  -34    2   77 o   85.959   12.023   54.853   14.005   0.0000   0.0000   54.853   14.005  ?   ?    85.959   12.023      ?      ? 
1 1 1  -34    2   78 f   85.398   11.867   54.217   13.734   0.0000   0.0000   54.217   13.734  ?   ?    85.398   11.867      ?      ? 
1 1 1  -34    3    1 o  117.820   4.8449   94.482   7.6862   93.953   11.521   94.906   10.318  117.496   7.2359  118.144   6.4446 -0.6482773 9.689796 
1 1 1  -34    3    2 o  307.758   6.2129  644.991   24.040  648.318   42.959  643.474   29.007  307.968   10.294  307.548   6.9600 0.4198608 12.42587 
1 1 1  -34    3    3 o  378.313   11.312  979.996   57.993  979.996   57.993   0.0000   0.0000  378.313   11.312  ?   ?       ?      ? 
1 1 1  -34    3    4 o  358.423   6.6614  875.179   30.081  881.128   53.566  872.439   36.355  358.836   11.016  358.010   7.4935 0.8264771 13.32274 
1 1 1  -34    3    5 o  221.220   5.7950  331.171   16.007  339.140   29.101  327.715   19.167  222.886   9.6348  219.554   6.4421 3.332169 11.59008 
1 1 1  -34    3    6 o  422.541   7.3107  1233.50   39.277  1180.62   67.827  1260.18   48.177  415.003   12.061  430.079   8.2662 -15.07584 14.62147 
1 1 1  -34    3    7 o  282.209   6.1394  549.203   21.793  525.587   38.421  560.406   26.463  277.358   10.222  287.061   6.8026 -9.702789 12.27879 
1 1 1  -34    3    8 o  313.516   10.470  671.791   44.481  671.791   44.481   0.0000   0.0000  313.516   10.470  ?   ?       ?      ? 
1 1 1  -34    3    9 o  286.262   7.1083  559.794   27.568  550.388   39.178  569.018   38.799  283.850   10.185  288.674   9.9182 -4.824554 14.21657 
1 1 1  -34    3   10 o  127.520   6.1616  109.333   10.168  105.930   12.541  115.864   17.373  124.766   7.4174  130.273   9.8410 -5.506683 12.32330 
1 1 1  -34    3   11 o  289.554   5.6380  579.565   19.471  589.562   22.785  552.493   37.494  294.603   5.7072  284.505   9.7251 10.09784 11.27605 
1 1 1  -34    3   12 o  205.797   5.1984  291.478   12.815  295.366   15.016  281.052   24.588  208.558   5.3131  203.036   8.9366 5.522232 10.39673 
1 1 1  -34    3   13 f  381.306   6.3286  985.096   28.542  978.671   33.048  1003.96   56.619  379.444   6.4270  383.168   10.904 -3.723999 12.65727 
1 1 1  -34    3   14 o  166.697   5.1577  187.926   10.359  186.599   12.116  191.533   19.974  165.764   5.3936  167.630   8.7930 -1.865875 10.31541 
1 1 1  -34    3   15 f  278.595   5.5492  526.145   18.389  523.712   21.365  533.099   36.121  277.671   5.6778  279.518   9.5360 -1.846863 11.09836 
1 1 1  -34    3   16 o  157.997   5.2676  170.249   10.025  170.710   11.753  169.018   19.211  158.545   5.4702  157.448   9.0037 1.097000 10.53512 
1 1 1  -34    3   17 o   55.535   8.6028   20.886   5.7761   19.581   6.7801   24.340   11.030   52.725   9.8517   58.344   14.106 -5.619507 17.20558 
1 1 1  -34    3   18 o  165.645   5.1931  179.797   10.402  171.986   12.093  202.015   20.396  159.127   5.6079  172.163   8.7422 -13.03590 10.38628 
1 1 1  -34    3   19 o  276.908   7.1944  521.622   26.997  521.622   26.997   0.0000   0.0000  276.908   7.1944  ?   ?       ?      ? 
1 1 1  -34    3   20 o  164.906   6.9787  184.952   15.595  184.952   15.595   0.0000   0.0000  164.906   6.9787  ?   ?       ?      ? 
1 1 1  -34    3   21 o  387.943   5.6113  1024.69   29.499  1027.12   41.894  1022.31   41.543  388.393   7.9597  387.493   7.9113 0.9001770 11.22258 
1 1 1  -34    3   22 o  207.510   4.6726  292.652   13.115  269.072   18.322  317.430   18.782  198.920   6.7970  216.100   6.4137 -17.17944 9.345286 
1 1 1  -34    3   23 o  295.510   5.0062  593.369   20.037  614.898   28.914  573.480   27.791  300.658   7.0967  290.362   7.0629 10.29678 10.01239 
1 1 1  -34    3   24 o  141.538   6.1217  142.039   10.753  122.183   18.834  151.642   13.098  133.720   10.393  149.355   6.4713 -15.63557 12.24342 
1 1 1  -34    3   25 o  300.842   6.2246  615.613   23.737  620.884   41.812  613.106   28.835  301.469   10.235  300.215   7.0876 1.253357 12.44924 
1 1 1  -34    3   26 o  319.477   5.1670  694.539   22.367  681.512   31.611  707.598   31.652  316.465   7.3711  322.489   7.2427 -6.023590 10.33393 
1 1 1  -34    3   27 o  293.922   5.0391  587.388   20.064  599.909   28.855  575.669   27.916  296.945   7.1708  290.899   7.0816 6.046295 10.07818 
1 1 1  -34    3   28 o  427.697   5.9893  1246.50   34.711  1253.88   49.457  1239.34   48.728  428.932   8.5086  426.461   8.4316 2.471069 11.97869 
1 1 1  -34    3   29 o  232.849   4.8995  368.708   15.454  372.018   22.199  365.596   21.528  233.853   7.0051  231.845   6.8521 2.007477 9.799090 
1 1 1  -34    3   30 o  379.430   5.6637  980.294   29.116  953.670   40.807  1007.90   41.555  374.174   8.0478  384.685   7.9715 -10.51099 11.32746 
1 1 1  -34    3   31 o  413.918   8.4054  1167.64   47.147  1167.64   47.147   0.0000   0.0000  413.918   8.4054  ?   ?       ?      ? 
1 1 1  -34    3   32 o  333.092   7.6165  755.408   34.380  755.408   34.380   0.0000   0.0000  333.092   7.6165  ?   ?       ?      ? 
1 1 1  -34    3   33 o  129.696   5.2463  114.587   9.2117  112.232   13.240  116.797   12.824  128.388   7.6100  131.004   7.2238 -2.616013 10.49269 
1 1 1  -34    3   34 o  205.592   4.8022  287.329   13.372  293.063   19.297  282.032   18.546  207.555   6.8609  203.628   6.7211 3.927307 9.604391 
1 1 1  -34    3   35 o  185.477   4.8465  234.041   12.171  234.078   17.579  234.007   16.868  185.476   6.9940  185.479   6.7109 -0.3005981E-02 9.692934 
1 1 1  -34    3   36 o  541.607   7.0083  2003.66   51.422  2045.91   73.849  1963.91   71.645  547.123   9.9604  536.092   9.8619 11.03094 14.01670 
1 1 1  -34    3   37 o  315.750   5.2666  678.823   22.529  680.411   32.253  677.309   31.482  316.093   7.5295  315.406   7.3657 0.6871643 10.53311 
1 1 1  -34    3   38 o  122.795   5.3923  102.426   8.9535  106.792   13.196   98.702   12.188  125.200   7.7777  120.390   7.4709 4.810249 10.78457 
1 1 1  -34    3   39 o  321.606   5.3267  704.576   23.212  697.280   32.997  711.722   32.658  319.940   7.6107  323.272   7.4548 -3.331177 10.65348 
1 1 1  -34    3   40 o  149.110   6.3740  147.211   11.899  163.795   21.932  140.294   14.165  154.684   10.463  143.536   7.2824 11.14806 12.74791 
1 1 1  -34    3   41 o  367.272   6.9630  925.140   32.456  914.896   56.731  930.125   39.571  365.152   11.465  369.393   7.9051 -4.241699 13.92595 
1 1 1  -34    3   42 o  288.960   5.1945  567.893   20.323  590.708   29.489  547.253   28.048  294.470   7.3899  283.449   7.3020 11.01999 10.38891 
1 1 1  -34    3   43 o  276.662   6.2796  523.311   22.053  521.233   38.612  524.317   26.865  275.866   10.329  277.458   7.1452 -1.591827 12.55921 
1 1 1  -34    3   44 o  240.409   6.0846  387.418   18.499  414.731   33.188  375.108   22.281  246.132   9.9502  234.687   7.0058 11.44511 12.16914 
1 1 1  -34    3   45 f  280.205   5.1642  534.869   19.601  541.196   28.198  528.954   27.265  281.790   7.3844  278.620   7.2212 3.169800 10.32838 
1 1 1  -34    3   46 o  497.056   6.6909  1690.17   45.058  1720.04   64.571  1661.83   62.905  501.312   9.5049  492.800   9.4196 8.512299 13.38177 
1 1 1  -34    3   47 o  469.318   6.4606  1506.87   41.088  1508.80   58.309  1504.96   57.908  469.605   9.1626  469.031   9.1108 0.5735779 12.92127 
1 1 1  -34    3   48 o  201.568   5.0822  276.874   13.877  282.069   19.951  272.005   19.315  203.390   7.2385  199.746   7.1358 3.643814 10.16438 
1 1 1  -34    3   49 o  216.214   5.0962  319.012   14.923  309.120   21.220  328.693   20.991  212.867   7.3561  219.562   7.0550 -6.695496 10.19244 
1 1 1  -34    3   50 o  439.098   7.8181  1346.31   43.861  1387.17   54.211  1268.87   74.629  450.119   8.8875  428.077   12.865 22.04245 15.63626 
1 1 1  -34    3   51 o  121.232   5.9348  100.827   9.7130   91.008   13.760  110.580   13.713  115.274   8.8084  127.191   7.9560 -11.91724 11.86950 
1 1 1  -34    3   52 o   80.308   7.4405   44.878   8.0020   38.086   11.527   51.196   11.118   74.262   11.454   86.354   9.5004 -12.09181 14.88108 
1 1 1  -34    3   53 o  125.469   5.8503  107.934   9.9270  100.068   14.036  115.806   14.042  120.842   8.5711  130.097   7.9650 -9.255325 11.70059 
1 1 1  -34    3   54 o  181.485   6.0883  228.026   14.492  235.006   18.484  216.891   23.347  185.417   7.3563  177.553   9.7033 7.864944 12.17657 
1 1 1  -34    3   55 f  302.872   5.3986  627.859   22.156  619.588   31.380  636.081   31.286  300.859   7.6967  304.886   7.5722 -4.027588 10.79714 
1 1 1  -34    3   56 o  125.067   5.7328  107.199   9.7112  109.090   14.002  105.446   13.481  126.114   8.1928  124.020   8.0211 2.093544 11.46558 
1 1 1  -34    3   57 o  148.844   5.4568  151.581   10.997  158.934   15.956  144.929   15.177  152.272   7.7325  145.415   7.7017 6.856827 10.91364 
1 1 1  -34    3   58 o   81.373   7.5627   46.724   8.1735   37.506   11.830   55.145   11.306   73.334   11.904   89.413   9.3309 -16.07963 15.12539 
1 1 1  -34    3   59 o   96.392   6.5297   63.620   8.4801   74.063   12.577   54.914   11.483  103.640   8.9550   89.143   9.5057 14.49652 13.05949 
1 1 1  -34    3   60 o   99.302   8.8565   68.043   11.918   0.0000   0.0000   68.043   11.918  ?   ?    99.302   8.8565      ?      ? 
1 1 1  -34    3   61 o  216.999   7.1493  323.134   21.024   0.0000   0.0000  323.134   21.024  ?   ?   216.999   7.1493      ?      ? 
1 1 1  -34    3   62 o  134.474   5.5267  124.716   10.055  118.518   14.361  130.675   14.082  131.117   8.0827  137.831   7.5396 -6.714127 11.05331 
1 1 1  -34    3   63 o   73.520   7.9477   38.445   7.5838   48.334   11.042   29.615   10.434   83.329   9.7782   63.711   12.532 19.61848 15.89544 
1 1 1  -34    3   64 o  221.628   5.1397  338.341   15.425  323.796   21.814  352.889   21.815  216.784   7.4255  226.471   7.1082 -9.686691 10.27932 
1 1 1  -34    3   65 o   92.151   6.5504   59.035   8.1714   62.655   11.850   55.752   11.283   94.851   9.2190   89.450   9.3083 5.401085 13.10090 
1 1 1  -34    3   66 o   55.848   11.386   21.375   8.4600   17.539   10.015   30.937   15.810   48.586   14.270   63.111   17.745 -14.52548 22.77106 
1 1 1  -34    3   67 o   84.166   6.8363   49.610   7.7907   52.458   11.242   46.978   10.807   86.510   9.5893   81.822   9.7462 4.688225 13.67268 
1 1 1  -34    3   68 o   43.142   9.9168   13.449   6.6407   13.425   9.4644   13.471   9.3199   43.141   14.082   43.144   13.967 -0.3654480E-02 19.83351 
1 1 1  -34    3   69 o   45.222   9.7448   15.193   6.5357   13.540   9.2119   16.868   9.2742   43.084   13.879   47.359   13.682 -4.275143 19.48955 
1 1 1  -34    3   70 o   60.422   9.6428   26.748   7.5645   22.845   9.6063   33.118   12.273   54.943   13.089   65.901   14.164 -10.95834 19.28568 
1 1 1  -34    3   71 o  115.211   6.5030   90.252   9.8148   81.164   12.169  107.168   16.602  107.623   8.3438  122.798   9.9769 -15.17555 13.00604 
1 1 1  -34    3   72 o   74.109   8.6744   40.273   8.3536   38.901   10.777   42.339   13.222   73.551   10.812   74.667   13.567 -1.116241 17.34870 
1 1 1  -34    3   73 o  145.279   7.7660  156.167   14.853  123.483   21.869  184.149   20.235  129.512   12.461  161.045   9.2722 -31.53326 15.53200 
1 1 1  -34    3   74 o  121.820   10.145  106.650   16.748   0.0000   0.0000  106.650   16.748  ?   ?   121.820   10.145      ?      ? 
1 1 1  -34    3   75 f  125.599   7.3931  114.045   12.566  115.858   18.300  112.426   17.286  126.364   10.687  124.833   10.218 1.531021 14.78611 
1 1 1  -34    3   76 o   89.216   11.673   58.706   14.113   0.0000   0.0000   58.706   14.113  ?   ?    89.216   11.673      ?      ? 
1 1 1  -34    3   77 o   71.217   13.762   39.648   12.800   0.0000   0.0000   39.648   12.800  ?   ?    71.217   13.762      ?      ? 
1 1 1  -34    3   78 o  154.454   9.8876  172.819   20.695   0.0000   0.0000  172.819   20.695  ?   ?   154.454   9.8876      ?      ? 
1 1 1  -34    4    1 o  319.923   5.0708  696.753   21.966  693.153   31.672  700.090   30.491  319.095   7.3243  320.750   7.0148 -1.654877 10.14168 
1 1 1  -34    4    2 o  256.967   4.7156  448.488   16.388  458.830   24.063  439.543   22.379  259.701   6.8375  254.234   6.4958 5.466919 9.431117 
1 1 1  -34    4    3 o  477.632   7.6881  1527.51   46.782  1465.58   56.633  1660.53   83.005  463.471   9.0171  491.793   12.455 -28.32208 15.37629 
1 1 1  -34    4    4 o  376.778   6.7025  971.678   32.738  977.805   40.825  960.640   54.796  378.868   7.9516  374.688   10.792 4.180542 13.40495 
1 1 1  -34    4    5 o  328.311   6.2403  729.231   26.538  715.452   32.856  755.093   45.012  324.186   7.4788  332.436   9.9916 -8.249786 12.48058 
1 1 1  -34    4    6 o  356.065   5.3756  862.622   25.914  875.530   37.578  850.918   35.784  358.574   7.7335  353.557   7.4687 5.016693 10.75122 
1 1 1  -34    4    7 o  190.221   4.6338  246.524   11.912  238.419   17.327  253.786   16.403  187.222   6.8295  193.221   6.2646 -5.998276 9.267513 
1 1 1  -34    4    8 o  268.007   4.8512  488.552   17.598  488.841   25.510  488.289   24.309  268.057   7.0226  267.956   6.6947 0.1018372 9.702324 
1 1 1  -34    4    9 o  348.499   5.3565  826.959   25.280  789.158   35.633  865.264   35.870  340.447   7.7237  356.551   7.4238 -16.10437 10.71300 
1 1 1  -34    4   10 o  252.465   5.2976  423.139   16.033  411.428   18.607  456.901   31.592  246.105   5.5791  258.825   9.0072 -12.71971 10.59514 
1 1 1  -34    4   11 o  203.776   5.0755  276.981   12.535  270.380   14.656  294.974   24.195  199.524   5.4204  208.029   8.5827 -8.505219 10.15107 
1 1 1  -34    4   12 o  250.127   5.6039  424.984   18.995  424.984   18.995   0.0000   0.0000  250.127   5.6039  ?   ?       ?      ? 
1 1 1  -34    4   13 o  573.592   8.3700  2241.81   65.059  2241.81   65.059   0.0000   0.0000  573.592   8.3700  ?   ?       ?      ? 
1 1 1  -34    4   14 o  332.221   5.9359  732.157   23.259  712.516   26.763  792.779   47.017  323.798   6.0992  340.644   10.185 -16.84613 11.87182 
1 1 1  -34    4   15 o  203.019   5.1704  279.704   12.739  278.754   14.978  282.187   24.219  202.590   5.4558  203.449   8.7845 -0.8588715 10.34086 
1 1 1  -34    4   16 o  301.530   5.6965  620.306   20.616  621.545   24.114  616.939   39.744  302.454   5.8834  300.606   9.7564 1.848053 11.39303 
1 1 1  -34    4   17 o  234.128   5.3326  379.617   15.129  388.077   17.892  358.390   28.340  239.031   5.5235  229.225   9.1235 9.805969 10.66520 
1 1 1  -34    4   18 o  309.290   5.7269  639.402   21.118  626.400   24.475  677.282   41.776  303.624   5.9485  314.957   9.7880 -11.33298 11.45379 
1 1 1  -34    4   19 o  194.535   5.2637  258.559   12.464  259.861   14.715  255.253   23.451  195.596   5.5517  193.474   8.9445 2.121368 10.52737 
1 1 1  -34    4   20 o  334.076   5.9863  752.943   23.917  744.496   27.827  776.823   46.787  330.968   6.2045  337.184   10.239 -6.216095 11.97251 
1 1 1  -34    4   21 o  584.748   8.4487  2310.17   57.944  2277.56   66.704  2410.44  116.970  578.092   8.5148  591.404   14.595 -13.31238 16.89735 
1 1 1  -34    4   22 f  259.409   5.5282  455.483   17.340  452.203   20.324  464.259   33.242  257.988   5.8135  260.831   9.4045 -2.843750 11.05633 
1 1 1  -34    4   23 o  205.470   4.7437  287.327   13.194  272.211   18.679  302.377   18.639  200.052   6.8902  210.888   6.5220 -10.83566 9.487429 
1 1 1  -34    4   24 o  254.907   7.0167  443.770   24.237  441.701   34.062  445.893   34.494  254.313   9.8836  255.501   9.9626 -1.187897 14.03348 
1 1 1  -34    4   25 o  350.304   7.7599  839.682   36.835  843.173   51.886  836.135   52.301  351.059   10.907  349.549   11.041 1.510040 15.51976 
1 1 1  -34    4   26 o  269.284   6.9286  494.492   25.254  509.567   36.796  481.068   34.724  273.127   9.9416  265.441   9.6533 7.686279 13.85713 
1 1 1  -34    4   27 o  201.068   6.6501  276.360   18.075  269.016   26.292  282.941   24.890  198.473   9.7756  203.664   9.0185 -5.191025 13.30023 
1 1 1  -34    4   28 o  369.310   6.6847  916.964   31.661  888.778   38.663  974.346   55.166  361.238   7.8981  377.383   10.787 -16.14523 13.36937 
1 1 1  -34    4   29 o  341.875   5.3740  795.140   24.885  816.104   35.881  775.711   34.543  346.203   7.6480  337.547   7.5517 8.655762 10.74799 
1 1 1  -34    4   30 o  387.755   5.6943  1023.73   29.909  1045.53   43.051  1003.40   41.584  391.727   8.1100  383.784   7.9956 7.942352 11.38868 
1 1 1  -34    4   31 o  483.657   6.4828  1596.46   42.488  1578.95   60.104  1613.94   60.069  480.986   9.2212  486.327   9.1147 -5.340881 12.96568 
1 1 1  -34    4   32 o  271.647   4.9846  501.817   18.338  510.818   26.497  493.545   25.404  273.969   7.1370  269.326   6.9604 4.643036 9.969198 
1 1 1  -34    4   33 o  332.590   6.5767  756.622   27.978  759.607   34.354  750.741   48.213  333.983   7.5904  331.196   10.742 2.787689 13.15340 
1 1 1  -34    4   34 o  291.121   6.3007  580.957   23.495  586.607   28.933  570.019   40.258  293.549   7.2733  288.694   10.290 4.855133 12.60137 
1 1 1  -34    4   35 o  440.603   6.1223  1323.18   36.536  1356.86   52.703  1292.03   50.696  445.974   8.7206  435.232   8.5954 10.74252 12.24462 
1 1 1  -34    4   36 o  257.303   4.9651  449.608   17.289  469.528   25.269  432.074   23.707  262.637   7.0997  251.969   6.9429 10.66766 9.930259 
1 1 1  -34    4   37 o  269.318   6.1379  486.390   20.845  518.110   37.559  472.270   25.059  275.230   10.070  263.406   7.0204 11.82391 12.27572 
1 1 1  -34    4   38 o  231.502   6.1149  371.070   17.875  350.585   31.174  381.105   21.818  226.361   10.163  236.643   6.8037 -10.28188 12.22980 
1 1 1  -34    4   39 o  420.195   6.0043  1204.39   34.182  1218.56   48.972  1190.92   47.733  422.584   8.5517  417.805   8.4307 4.778687 12.00868 
1 1 1  -34    4   40 o  217.249   4.9516  321.809   14.556  308.607   20.858  334.343   20.323  212.864   7.2308  221.634   6.7666 -8.769363 9.903102 
1 1 1  -34    4   41 o  330.012   5.3956  741.283   24.108  765.737   35.005  719.217   33.252  335.162   7.7070  324.861   7.5533 10.30170 10.79122 
1 1 1  -34    4   42 o  169.708   5.0463  195.542   11.577  205.055   17.110  187.509   15.722  173.484   7.2781  165.931   6.9921 7.553177 10.09261 
1 1 1  -34    4   43 o  160.839   5.1487  176.406   11.210  173.061   16.133  179.529   15.588  159.339   7.4717  162.338   7.0860 -2.998917 10.29745 
1 1 1  -34    4   44 o  187.213   6.0880  236.354   14.567  248.690   25.500  230.378   17.749  190.551   9.8751  183.875   7.1230 6.676208 12.17598 
1 1 1  -34    4   45 o  286.235   6.3419  556.993   23.103  569.858   40.509  550.791   28.126  288.228   10.371  284.242   7.3019 3.985199 12.68389 
1 1 1  -34    4   46 o  205.632   5.0397  288.485   14.028  273.866   19.880  302.984   19.798  200.404   7.3204  210.859   6.9287 -10.45480 10.07948 
1 1 1  -34    4   47 o  220.607   5.0586  331.855   15.114  331.843   21.738  331.867   21.030  220.580   7.2722  220.635   7.0336 -0.5436707E-01 10.11714 
1 1 1  -34    4   48 o  161.281   5.2330  177.769   11.411  172.868   16.570  182.189   15.737  159.119   7.6844  163.443   7.1053 -4.323898 10.46591 
1 1 1  -34    4   49 o  165.723   5.2026  187.770   11.663  180.380   16.785  194.668   16.216  162.521   7.6215  168.925   7.0839 -6.404251 10.40521 
1 1 1  -34    4   50 o  236.233   6.5074  388.638   19.440  400.065   23.784  365.634   33.744  242.083   7.2499  230.383   10.808 11.69962 13.01474 
1 1 1  -34    4   51 o  133.672   8.1156  122.268   14.701  122.268   14.701   0.0000   0.0000  133.672   8.1156  ?   ?       ?      ? 
1 1 1  -34    4   52 o  267.591   6.1796  488.631   21.514  482.495   26.829  499.683   36.010  265.686   7.4518  269.497   9.8602 -3.810455 12.35929 
1 1 1  -34    4   53 o  199.066   5.1366  271.091   13.845  262.034   19.748  279.846   19.416  195.750   7.4446  202.383   7.0794 -6.632553 10.27324 
1 1 1  -34    4   54 o  256.382   5.1550  449.578   17.907  447.992   25.535  451.113   25.119  255.913   7.3630  256.851   7.2167 -0.9377289 10.30993 
1 1 1  -34    4   55 o  226.622   5.1251  351.609   15.729  342.358   22.440  360.545   22.055  223.642   7.4043  229.602   7.0884 -5.960205 10.25027 
1 1 1  -34    4   56 o  218.195   5.1635  325.842   15.255  329.455   22.076  322.541   21.105  219.313   7.4281  217.078   7.1744 2.234924 10.32708 
1 1 1  -34    4   57 o   96.101   6.6721   63.334   8.6577   68.706   12.933   58.972   11.654   99.745   9.5680   92.457   9.3017 7.287971 13.34422 
1 1 1  -34    4   58 o  215.511   5.1753  317.650   15.089  332.114   22.132  305.088   20.626  220.048   7.4221  210.975   7.2145 9.072754 10.35067 
1 1 1  -34    4   59 o  124.241   7.3465  107.683   11.135  106.246   20.800  108.260   13.183  122.969   12.482  125.512   7.7511 -2.542320 14.69305 
1 1 1  -34    4   60 o  160.654   6.3553  174.195   12.950  190.614   23.187  166.750   15.613  165.506   10.338  155.803   7.3947 9.702774 12.71056 
1 1 1  -34    4   61 o  209.882   6.1768  301.881   16.529  312.752   28.933  296.615   20.139  211.964   10.073  207.800   7.1518 4.164261 12.35352 
1 1 1  -34    4   62 o  144.604   5.4497  144.536   10.644  136.754   15.410  151.635   14.718  140.750   8.0794  148.457   7.3158 -7.706985 10.89949 
1 1 1  -34    4   63 o  173.814   5.2236  208.254   12.278  206.265   17.906  210.020   16.867  172.930   7.6408  174.698   7.1247 -1.768356 10.44712 
1 1 1  -34    4   64 o   91.780   6.6278   59.579   8.0975   48.280   11.658   70.111   11.255   82.958   10.371  100.601   8.2561 -17.64301 13.25561 
1 1 1  -34    4   65 o   45.731   8.7710   13.211   6.6966   28.181   9.8101   0.1481   9.1639   61.979   12.114   29.483   12.687 32.49600 17.54206 
1 1 1  -34    4   66 o   66.508   10.743   34.403   8.9815   36.475   10.680   29.398   16.600   71.763   10.982   61.253   18.467 10.50960 21.48524 
1 1 1  -34    4   67 o  176.457   6.1751  218.116   14.243  220.157   17.988  214.685   23.319  178.283   7.4453  174.631   9.8537 3.652267 12.35022 
1 1 1  -34    4   68 o   73.704   10.731   42.682   10.292   33.696   16.179   48.790   13.339   65.037   17.827   82.372   11.950 -17.33437 21.46170 
1 1 1  -34    4   69 o  118.913   6.5898   99.041   10.296   97.251   13.016  102.033   16.831  118.026   8.1377  119.799   10.367 -1.773102 13.17965 
1 1 1  -34    4   70 o  107.471   6.7449   78.822   9.5670   69.657   11.992   94.870   15.868   99.484   8.8951  115.458   10.142 -15.97379 13.48973 
1 1 1  -34    4   71 o  130.006   6.4734  120.898   10.971  125.118   13.919  113.976   17.828  133.847   7.6741  126.166   10.427 7.680908 12.94688 
1 1 1  -34    4   72 o   83.189   7.9210   50.855   8.6367   53.500   11.118   46.828   13.716   86.734   9.4589   79.644   12.708 7.089302 15.84196 
1 1 1  -34    4   73 o   32.032   9.1787   0.5849   6.7042  -7.1940   8.7945   11.377   10.359   23.613   11.043   40.450   14.664 -16.83752 18.35741 
1 1 1  -34    4   74 o   54.198   11.058   23.702   8.5791   22.524   12.532   24.741   11.770   52.821   16.072   55.576   15.193 -2.754734 22.11613 
1 1 1  -34    4   75 o  133.863   10.079  129.385   18.284   0.0000   0.0000  129.385   18.284  ?   ?   133.863   10.079      ?      ? 
1 1 1  -34    4   76 o  151.907   9.8496  166.590   20.276   0.0000   0.0000  166.590   20.276  ?   ?   151.907   9.8496      ?      ? 
1 1 1  -34    4   77 o  115.253   10.565   97.064   16.500   0.0000   0.0000   97.064   16.500  ?   ?   115.253   10.565      ?      ? 
1 1 1  -34    4   78 o  147.261   9.9793  157.632   19.914   0.0000   0.0000  157.632   19.914  ?   ?   147.261   9.9793      ?      ? 
1 1 1  -34    5    1 o  179.961   4.4806  220.425   10.843  218.811   16.346  221.694   14.491  179.329   6.7263  180.592   5.9211 -1.262543 8.961213 
1 1 1  -34    5    2 o  105.849   4.9658   75.703   7.0247   79.503   10.992   73.080   9.1330  108.045   7.5075  103.654   6.5020 4.390465 9.931643 
1 1 1  -34    5    3 f   83.316   5.6759   48.350   6.2071   42.534   9.7419   52.325   8.0535   78.936   9.1072   87.697   6.7767 -8.760460 11.35189 
1 1 1  -34    5    4 o  545.205   6.9416  2030.32   51.254  2058.89   74.010  2004.00   71.050  548.823   9.9512  541.586   9.6808 7.237549 13.88324 
1 1 1  -34    5    5 o  345.922   5.2895  814.074   24.756  827.022   36.165  802.657   33.960  348.467   7.6585  343.377   7.2982 5.090149 10.57909 
1 1 1  -34    5    6 o  365.501   5.4445  910.013   26.939  906.425   38.947  913.305   37.302  364.766   7.8791  366.237   7.5161 -1.470673 10.88904 
1 1 1  -34    5    7 o  198.159   5.4736  266.324   14.345  262.408   18.320  272.530   23.062  196.391   6.8836  199.927   8.5123 -3.535645 10.94726 
1 1 1  -34    5    8 o  378.233   6.6664  965.318   32.594  939.667   40.189  1014.62   55.716  371.383   7.9855  385.083   10.677 -13.70010 13.33286 
1 1 1  -34    5    9 o  194.693   5.4377  265.852   13.666  287.509   17.334  230.292   22.212  205.651   6.2200  183.734   8.9211 21.91725 10.87545 
1 1 1  -34    5   10 o  273.932   5.3785  502.320   17.673  492.703   20.558  529.553   34.594  269.296   5.6334  278.569   9.1640 -9.272247 10.75703 
1 1 1  -34    5   11 o  160.793   5.0539  179.476   9.9313  184.423   11.826  167.637   18.294  164.784   5.2957  156.801   8.6094 7.983124 10.10779 
1 1 1  -34    5   12 o  187.042   4.9674  234.744   11.384  230.459   13.420  245.740   21.498  184.201   5.3762  189.883   8.3545 -5.682373 9.934867 
1 1 1  -34    5   13 o  110.719   5.3709   82.816   7.4358   81.802   8.9097   85.145   13.497  109.711   5.9928  111.727   8.9148 -2.015594 10.74190 
1 1 1  -34    5   14 o  230.494   5.1654  359.376   14.492  356.582   17.054  366.638   27.493  229.115   5.4929  231.874   8.7496 -2.758469 10.33085 
1 1 1  -34    5   15 o  211.738   5.5022  304.546   15.788  304.546   15.788   0.0000   0.0000  211.738   5.5022  ?   ?       ?      ? 
1 1 1  -34    5   16 o  285.221   5.8143  552.769   22.473  552.769   22.473   0.0000   0.0000  285.221   5.8143  ?   ?       ?      ? 
1 1 1  -34    5   17 o  210.957   5.1237  295.424   13.243  285.948   15.563  320.294   25.212  205.163   5.5977  216.752   8.5835 -11.58908 10.24745 
1 1 1  -34    5   18 f  294.759   5.6203  589.054   20.052  585.706   23.526  597.943   38.336  293.582   5.9135  295.936   9.5594 -2.354645 11.24060 
1 1 1  -34    5   19 f  208.199   5.4840  293.656   14.889  289.648   18.612  300.780   24.813  206.374   6.6550  210.024   8.7184 -3.650208 10.96809 
1 1 1  -34    5   20 o  233.025   5.6308  373.775   17.060  384.386   21.478  355.635   28.082  237.738   6.6666  228.312   9.0763 9.425690 11.26163 
1 1 1  -34    5   21 o  108.184   6.1345   80.824   8.7307   84.470   11.233   75.260   13.877  111.395   7.4409  104.972   9.7551 6.423080 12.26902 
1 1 1  -34    5   22 o  187.659   5.5306  241.323   13.537  245.467   17.059  234.277   22.245  189.984   6.6259  185.334   8.8571 4.649719 11.06118 
1 1 1  -34    5   23 o  169.781   5.2310  193.788   11.023  190.261   13.115  202.279   20.347  167.334   5.7834  172.229   8.7181 -4.894547 10.46197 
1 1 1  -34    5   24 o  273.713   5.4833  496.796   18.123  481.415   21.108  539.933   35.350  266.165   5.8521  281.261   9.2746 -15.09573 10.96654 
1 1 1  -34    5   25 o  193.770   4.6770  254.850   12.266  265.390   17.901  245.520   16.841  197.532   6.6872  190.009   6.5405 7.522919 9.353977 
1 1 1  -34    5   26 o  389.907   5.6699  1035.77   29.953  1036.89   42.784  1034.70   41.949  390.092   8.0933  389.722   7.9429 0.3703613 11.33986 
1 1 1  -34    5   27 o  193.588   6.0389  262.868   14.507  236.716   25.762  275.012   17.555  186.072   10.217  201.103   6.4415 -15.03159 12.07786 
1 1 1  -34    5   28 o  377.992   6.9188  972.409   33.039  986.728   58.643  965.750   39.989  379.461   11.404  376.524   7.8373 2.936523 13.83758 
1 1 1  -34    5   29 o  362.261   5.5205  893.624   27.086  904.152   39.042  883.855   37.610  364.292   7.9087  360.230   7.7043 4.061676 11.04104 
1 1 1  -34    5   30 o  549.071   10.100  2079.03   75.134  2118.49  107.674  2041.58  104.891  554.108   14.340  544.033   14.228 10.07513 20.20016 
1 1 1  -34    5   31 o   72.094   9.0662   36.300   8.3554   36.143   10.539   36.565   13.709   72.662   10.703   71.526   14.636 1.135773 18.13246 
1 1 1  -34    5   32 o  106.357   5.6498   76.387   8.1013   84.257   12.237   70.246   10.810  111.180   8.1218  101.535   7.8561 9.644524 11.29965 
1 1 1  -34    5   33 o  185.177   5.9309  231.344   13.749  240.417   24.964  227.393   16.472  187.533   9.8234  182.821   6.6486 4.711349 11.86185 
1 1 1  -34    5   34 o  207.288   6.9498  293.710   19.511  280.584   27.369  307.274   27.823  202.552   9.9710  212.023   9.6838 -9.470657 13.89953 
1 1 1  -34    5   35 o  202.903   5.9666  275.648   15.575  264.926   19.049  297.267   27.050  197.258   7.1263  208.547   9.5716 -11.28909 11.93311 
1 1 1  -34    5   36 o  153.488   5.0358  161.216   10.421  147.057   15.025  174.342   14.467  146.915   7.5469  160.061   6.6695 -13.14619 10.07166 
1 1 1  -34    5   37 o  309.182   5.2233  649.971   21.860  677.397   31.853  625.555   30.054  315.319   7.4545  303.044   7.3185 12.27585 10.44653 
1 1 1  -34    5   38 o  343.858   5.4478  804.345   25.355  839.500   36.970  773.125   34.840  350.918   7.7743  336.797   7.6336 14.12146 10.89550 
1 1 1  -34    5   39 o  312.497   5.2854  665.392   22.375  670.301   32.092  660.748   31.214  313.600   7.5516  311.394   7.3969 2.205505 10.57075 
1 1 1  -34    5   40 o  175.418   5.0369  210.180   11.941  197.025   17.132  222.610   16.653  170.023   7.4357  180.813   6.7963 -10.78996 10.07372 
1 1 1  -34    5   41 o  186.769   4.9488  237.828   12.514  230.804   17.904  244.537   17.498  184.044   7.1786  189.493   6.8140 -5.448898 9.897573 
1 1 1  -34    5   42 o  182.740   4.9986  227.332   12.366  232.008   17.969  223.126   17.043  184.506   7.1869  180.974   6.9493 3.532150 9.997176 
1 1 1  -34    5   43 o  308.373   5.3008  648.469   22.142  651.393   31.817  645.725   30.832  309.020   7.5979  307.727   7.3936 1.292694 10.60159 
1 1 1  -34    5   44 o  292.253   5.2384  582.849   20.733  560.538   29.370  605.013   29.273  286.635   7.5612  297.871   7.2519 -11.23627 10.47676 
1 1 1  -34    5   45 o  142.028   6.6284  136.678   11.790  142.158   21.384  134.284   14.132  143.763   10.977  140.292   7.4335 3.470947 13.25679 
1 1 1  -34    5   46 o  267.751   5.1579  488.395   18.695  504.764   27.209  473.755   25.732  271.972   7.3824  263.530   7.2053 8.442261 10.31583 
1 1 1  -34    5   47 o  245.155   5.1004  410.058   16.932  411.738   24.445  408.508   23.475  245.606   7.3445  244.704   7.0791 0.9017487 10.20076 
1 1 1  -34    5   48 o  225.458   5.1139  347.497   15.589  320.583   22.040  374.437   22.051  216.645   7.5074  234.270   6.9459 -17.62582 10.22773 
1 1 1  -34    5   49 o  141.632   6.3407  138.625   11.898  143.036   15.437  132.171   18.672  144.622   7.8769  138.642   9.9385 5.979630 12.68143 
1 1 1  -34    5   50 o  235.040   6.1203  383.778   18.798  399.396   23.920  358.554   30.398  241.773   7.3007  228.308   9.8251 13.46541 12.24065 
1 1 1  -34    5   51 o  162.711   6.6856  184.115   13.780  188.127   16.853  176.020   23.939  165.857   7.4981  159.564   11.071 6.293198 13.37129 
1 1 1  -34    5   52 o  264.555   5.1766  478.496   18.552  484.556   26.660  472.807   25.832  266.155   7.3917  262.956   7.2491 3.198975 10.35313 
1 1 1  -34    5   53 o  140.820   5.4529  136.065   10.387  130.059   14.908  141.731   14.481  137.739   7.9870  143.900   7.4260 -6.160858 10.90582 
1 1 1  -34    5   54 o  126.228   5.8117  110.362   9.8449   95.635   14.195  124.012   13.666  117.902   8.8844  134.553   7.4947 -16.65107 11.62341 
1 1 1  -34    5   55 o  193.658   5.1666  257.413   13.529  246.749   19.527  267.256   18.760  189.708   7.5958  197.607   7.0057 -7.899261 10.33324 
1 1 1  -34    5   56 o  173.054   6.7753  211.178   14.376  196.736   26.247  217.368   17.183  167.980   11.530  178.129   7.1184 -10.14911 13.55061 
1 1 1  -34    5   57 o   65.732   10.696   31.418   8.6051   30.848   16.761   31.622   10.028   64.082   18.359   67.382   10.982 -3.300453 21.39281 
1 1 1  -34    5   58 o  333.566   5.5653  764.989   25.138  775.383   36.352  755.463   34.800  335.659   7.9919  331.474   7.7473 4.185211 11.13067 
1 1 1  -34    5   59 o  159.093   5.3470  175.230   11.434  152.085   16.336  197.461   16.010  148.545   8.1153  169.640   6.9646 -21.09448 10.69409 
1 1 1  -34    5   60 o  167.630   6.3256  189.845   13.383  207.920   24.188  181.870   16.067  172.625   10.340  162.635   7.2901 9.989502 12.65125 
1 1 1  -34    5   61 o  175.021   6.3332  214.713   14.011  206.063   24.437  218.948   17.101  171.601   10.508  178.441   7.0719 -6.839783 12.66644 
1 1 1  -34    5   62 o   55.441   10.591   22.918   8.1057   21.559   10.849   24.635   12.195   53.704   14.547   57.178   15.396 -3.474648 21.18166 
1 1 1  -34    5   63 f   99.976   8.8929   69.856   11.770   78.310   19.174   64.744   14.911  104.315   13.564   95.637   11.505 8.677536 17.78580 
1 1 1  -34    5   64 o   41.376   9.9458   11.862   6.6619   10.954   9.9445   12.601   8.9728   40.672   14.412   42.081   13.710 -1.409252 19.89151 
1 1 1  -34    5   65 o  183.776   5.1568  233.865   12.820  220.372   18.246  247.021   18.017  178.402   7.5473  189.150   7.0291 -10.74774 10.31353 
1 1 1  -34    5   66 o   87.896   9.5815   61.296   9.7870   68.668   11.904   45.913   17.194   99.087   8.8649   76.704   16.989 22.38277 19.16307 
1 1 1  -34    5   67 o   55.320   10.289   23.395   7.6975   23.356   9.8638   23.455   12.310   55.592   13.276   55.048   15.722 0.5436096 20.57723 
1 1 1  -34    5   68 o  131.153   6.2933  119.989   10.882  117.150   13.812  124.635   17.671  129.635   7.8626  132.671   9.8287 -3.035034 12.58662 
1 1 1  -34    5   69 o   92.330   7.4614   62.493   8.9974   68.646   11.700   53.589   14.075   98.796   8.7392   85.864   12.096 12.93129 14.92280 
1 1 1  -34    5   70 o  116.931   6.6552   94.901   10.378   85.910   13.322  108.783   16.553  110.308   8.9121  123.554   9.8863 -13.24612 13.31035 
1 1 1  -34    5   71 o   85.008   7.8209   53.454   8.7094   58.292   11.354   46.537   13.576   90.607   9.2471   79.408   12.616 11.19828 15.64178 
1 1 1  -34    5   72 o   88.969   7.3265   55.139   8.6430   48.286   10.930   66.576   14.120   82.107   9.8232   95.831   10.873 -13.72372 14.65307 
1 1 1  -34    5   73 o   87.806   10.191   63.055   11.051   39.167   16.411   82.877   14.949   68.489   17.590  107.123   10.298 -38.63392 20.38283 
1 1 1  -34    5   74 o   44.266   15.606   14.789   11.646   0.0000   0.0000   14.789   11.646  ?   ?    44.266   15.606      ?      ? 
1 1 1  -34    5   75 o   87.515   11.626   56.651   13.788   0.0000   0.0000   56.651   13.788  ?   ?    87.515   11.626      ?      ? 
1 1 1  -34    5   76 o   30.492   13.214   1.0203   10.083   0.0000   0.0000   1.0203   10.083  ?   ?    30.492   13.214      ?      ? 
1 1 1  -34    5   77 o   42.591   15.194   13.740   11.071   0.0000   0.0000   13.740   11.071  ?   ?    42.591   15.194      ?      ? 
1 1 1  -34    5   78 o   60.224   15.351   29.953   12.565   0.0000   0.0000   29.953   12.565  ?   ?    60.224   15.351      ?      ? 
1 1 1  -34    6    1 o  197.619   4.5528  266.069   12.018  263.556   18.591  267.873   15.751  196.746   6.9730  198.493   5.8558 -1.746597 9.105659 
1 1 1  -34    6    2 o  462.004   12.683  1469.15   79.405  1469.15   79.405   0.0000   0.0000  462.004   12.683  ?   ?       ?      ? 
1 1 1  -34    6    3 o  402.357   7.0480  1114.43   35.645  1088.59   63.234  1126.46   43.155  398.183   11.719  406.530   7.8334 -8.347107 14.09593 
1 1 1  -34    6    4 o  318.112   6.2279  679.634   24.607  718.637   45.488  663.498   29.258  324.011   10.360  312.214   6.9152 11.79715 12.45575 
1 1 1  -34    6    5 o  307.392   6.1653  638.449   23.586  661.021   43.234  628.884   28.142  310.798   10.265  303.986   6.8316 6.812927 12.33053 
1 1 1  -34    6    6 o  212.659   5.6380  306.166   14.807  313.311   27.434  303.229   17.589  214.143   9.4536  211.176   6.1465 2.967636 11.27606 
1 1 1  -34    6    7 o  243.958   5.9330  417.776   18.091  373.970   31.660  439.016   22.045  233.854   9.9903  254.062   6.4030 -20.20909 11.86608 
1 1 1  -34    6    8 o  208.050   5.2340  294.151   14.165  292.597   17.685  296.934   23.658  207.429   6.2916  208.671   8.3663 -1.241592 10.46796 
1 1 1  -34    6    9 o  123.209   5.2554  102.080   8.5081   98.307   10.698  108.576   14.036  120.217   6.5666  126.201   8.2070 -5.983932 10.51075 
1 1 1  -34    6   10 o  175.000   6.3232  210.289   14.842  198.904   22.296  219.349   19.889  170.618   9.6430  179.382   8.1820 -8.764236 12.64645 
1 1 1  -34    6   11 o  158.567   6.3651  168.018   13.520  196.728   21.160  148.210   17.576  169.749   9.1987  147.385   8.8000 22.36458 12.73012 
1 1 1  -34    6   12 o  113.097   5.6467   89.902   8.2720   98.335   10.581   76.645   13.267  120.242   6.4934  105.952   9.2399 14.29007 11.29335 
1 1 1  -34    6   13 o  112.172   5.1373   81.280   7.3249   73.920   8.7687   98.276   13.325  104.270   6.2057  120.075   8.1889 -15.80476 10.27469 
1 1 1  -34    6   14 o  179.245   4.9213  215.454   10.904  211.022   12.926  226.390   20.303  176.247   5.4120  182.242   8.2212 -5.995132 9.842607 
1 1 1  -34    6   15 o  247.186   5.2481  415.746   15.817  415.384   18.664  416.667   29.791  247.258   5.5703  247.113   8.8962 0.1448212 10.49619 
1 1 1  -34    6   16 o  303.962   5.6824  637.033   20.992  646.747   24.827  612.666   39.320  308.469   5.9391  299.456   9.6895 9.013428 11.36486 
1 1 1  -34    6   17 o  157.643   5.6136  168.856   11.992  168.856   11.992   0.0000   0.0000  157.643   5.6136  ?   ?       ?      ? 
1 1 1  -34    6   18 o  304.845   5.9543  631.650   24.598  631.650   24.598   0.0000   0.0000  304.845   5.9543  ?   ?       ?      ? 
1 1 1  -34    6   19 o  243.981   5.2653  402.054   15.701  397.816   18.513  412.912   29.632  241.964   5.6461  245.998   8.8890 -4.034561 10.53051 
1 1 1  -34    6   20 f  189.118   5.0432  239.091   11.802  233.025   13.987  254.087   21.991  185.193   5.5735  193.042   8.4065 -7.849228 10.08632 
1 1 1  -34    6   21 o  113.744   5.5504   89.106   7.9516   90.825   9.6628   85.498   13.995  115.582   6.1692  111.907   9.2288 3.674950 11.10088 
1 1 1  -34    6   22 o  115.350   5.5725   91.938   8.0914   94.246   9.8436   87.129   14.208  117.738   6.1696  112.963   9.2817 4.774895 11.14508 
1 1 1  -34    6   23 o  155.066   5.1724  162.173   10.059  159.708   12.074  167.764   18.188  153.295   5.8121  156.836   8.5577 -3.541031 10.34479 
1 1 1  -34    6   24 o  174.237   5.1661  205.739   11.236  204.253   13.461  209.152   20.402  173.366   5.7298  175.108   8.5978 -1.742004 10.33218 
1 1 1  -34    6   25 o  129.792   5.3274  112.925   8.8116  109.571   10.693  120.025   15.555  126.942   6.2158  132.642   8.6538 -5.699844 10.65480 
1 1 1  -34    6   26 o  218.107   5.2739  324.756   14.236  325.914   16.992  322.029   26.076  218.989   5.7257  217.226   8.8584 1.763275 10.54771 
1 1 1  -34    6   27 o  239.986   5.7924  391.736   18.385  388.462   23.517  396.882   29.483  238.857   7.2655  241.114   9.0232 -2.256653 11.58471 
1 1 1  -34    6   28 o  202.414   6.5204  278.712   17.885   0.0000   0.0000  278.712   17.885  ?   ?   202.414   6.5204      ?      ? 
1 1 1  -34    6   29 o  321.258   7.2631  702.782   31.620   0.0000   0.0000  702.782   31.620  ?   ?   321.258   7.2631      ?      ? 
1 1 1  -34    6   30 o  327.690   5.2853  731.090   23.452  740.496   33.937  722.494   32.444  329.677   7.5964  325.702   7.3508 3.975067 10.57066 
1 1 1  -34    6   31 o  415.501   5.9164  1176.77   33.294  1204.66   48.071  1151.06   46.158  420.204   8.4418  410.798   8.2915 9.405853 11.83277 
1 1 1  -34    6   32 o  485.493   6.5022  1610.37   42.773  1577.69   60.360  1643.33   60.622  480.513   9.2696  490.473   9.1208 -9.959930 13.00441 
1 1 1  -34    6   33 o  207.266   4.8311  291.993   13.543  299.300   19.874  285.658   18.506  209.660   6.9950  204.872   6.6656 4.787659 9.662292 
1 1 1  -34    6   34 o  272.611   5.0783  506.364   18.754  495.596   26.670  516.898   26.377  269.720   7.2966  275.502   7.0651 -5.782013 10.15656 
1 1 1  -34    6   35 o   81.155   10.378   47.189   10.976   58.675   15.441   35.457   15.605   92.330   12.341   69.979   16.690 22.35049 20.75662 
1 1 1  -34    6   36 o  119.484   8.1274   98.537   13.096  105.124   18.092   91.286   18.982  123.798   10.784  115.171   12.162 8.626404 16.25483 
1 1 1  -34    6   37 o  109.692   7.5153   84.905   10.351   89.407   12.675   75.889   17.938  114.456   8.1719  104.928   12.615 9.527977 15.03054 
1 1 1  -34    6   38 o  203.585   4.9146  281.922   13.546  291.806   19.684  273.030   18.670  206.958   7.0185  200.211   6.8814 6.747620 9.829203 
1 1 1  -34    6   39 o   76.150   7.5275   39.325   7.4007   53.479   11.380   28.951   9.7421   88.386   9.5011   63.914   11.678 24.47249 15.05504 
1 1 1  -34    6   40 o  159.990   5.0908  174.607   11.010  172.785   16.098  176.209   15.092  159.169   7.4632  160.811   6.9256 -1.642166 10.18152 
1 1 1  -34    6   41 o  238.104   5.0019  383.565   16.078  428.155   23.939  346.921   21.701  250.621   7.0486  225.587   7.0989 25.03438 10.00389 
1 1 1  -34    6   42 f  224.693   4.9782  344.036   15.141  347.894   21.985  340.555   20.884  225.862   7.1829  223.524   6.8945 2.338287 9.956326 
1 1 1  -34    6   43 o  135.243   5.3502  125.003   9.7734  122.940   14.348  126.788   13.349  134.157   7.8923  136.330   7.2257 -2.172394 10.70042 
1 1 1  -34    6   44 o  126.836   5.4892  109.682   9.4121  112.814   13.876  107.013   12.809  128.482   7.9697  125.190   7.5503 3.292007 10.97833 
1 1 1  -34    6   45 o  150.860   6.5182  157.790   12.354  151.317   21.822  160.843   14.987  148.209   10.865  153.511   7.2041 -5.301636 13.03643 
1 1 1  -34    6   46 o  107.122   6.9037   77.000   9.9024   64.646   12.942   94.448   15.380   96.987   9.8468  117.257   9.6791 -20.27071 13.80745 
1 1 1  -34    6   47 o  181.965   5.8981  223.854   14.186  214.213   17.995  239.684   23.058  177.040   7.5006  186.890   9.1044 -9.849960 11.79612 
1 1 1  -34    6   48 o  151.107   5.2786  155.262   10.776  166.946   16.028  145.625   14.556  156.247   7.5698  145.966   7.3590 10.28102 10.55728 
1 1 1  -34    6   49 o  185.639   5.0976  236.146   12.790  223.867   18.439  247.533   17.756  180.904   7.5214  190.373   6.8828 -9.468689 10.19526 
1 1 1  -34    6   50 o   73.337   7.9950   38.350   7.6067   33.715   11.417   42.049   10.200   68.537   12.762   78.136   9.6334 -9.598778 15.99005 
1 1 1  -34    6   51 o  247.133   6.4872  413.280   20.325  400.821   24.555  440.397   36.226  241.955   7.4889  252.312   10.595 -10.35669 12.97439 
1 1 1  -34    6   52 o  230.715   5.1477  364.004   16.078  373.317   23.381  355.650   22.144  233.475   7.3898  227.955   7.1686 5.520035 10.29550 
1 1 1  -34    6   53 o  172.104   5.2542  203.146   12.225  200.639   17.847  205.363   16.781  171.030   7.7002  173.177   7.1507 -2.147003 10.50840 
1 1 1  -34    6   54 o  112.191   9.1958  103.359   10.972   62.263   20.247  120.445   13.055   91.820   16.895  132.561   7.2674 -40.74099 18.39162 
1 1 1  -34    6   55 o  286.025   6.5941  557.303   23.509  586.636   43.079  544.863   28.054  290.234   10.953  281.816   7.3459 8.417633 13.18828 
1 1 1  -34    6   56 f  134.614   5.5232  124.388   10.050  127.806   14.826  121.482   13.670  136.266   8.0287  132.963   7.5869 3.302811 11.04636 
1 1 1  -34    6   57 o   53.151   9.8885   19.173   7.9156   7.3611   10.583   34.170   11.925   37.899   14.597   68.403   13.344 -30.50375 19.77701 
1 1 1  -34    6   58 o   94.702   9.7178   66.324   11.605   57.680   18.542   71.890   14.880   88.031   16.137  101.373   10.832 -13.34197 19.43564 
1 1 1  -34    6   59 o  101.006   6.3422   71.664   8.5630   62.299   12.592   79.721   11.679   94.555   9.8268  107.458   8.0205 -12.90319 12.68448 
1 1 1  -34    6   60 o   91.029   8.2490   60.715   9.2526   52.753   16.343   64.471   11.225   85.619   14.086   96.438   8.5890 -10.81979 16.49808 
1 1 1  -34    6   61 o   78.770   9.4768   51.065   8.7296   30.479   14.816   62.011   10.804   62.987   16.975   94.554   8.4318 -31.56719 18.95352 
1 1 1  -34    6   62 o  116.233   5.7963   94.090   9.0811   89.227   13.327   98.305   12.408  113.253   8.6834  119.213   7.6804 -5.959579 11.59266 
1 1 1  -34    6   63 o  150.789   5.3437  157.650   10.894  152.469   15.790  162.354   15.048  148.292   7.8575  153.286   7.2444 -4.993225 10.68743 
1 1 1  -34    6   64 o  220.518   5.1473  336.562   15.368  334.705   22.161  338.283   21.331  219.830   7.4391  221.206   7.1159 -1.376114 10.29451 
1 1 1  -34    6   65 o   67.783   9.0943   34.124   8.0574   35.775   10.654   31.917   12.315   70.824   11.101   64.742   14.408 6.081818 18.18858 
1 1 1  -34    6   66 o   46.205   14.542   15.981   10.159   15.981   10.159   0.0000   0.0000   46.205   14.542  ?   ?       ?      ? 
1 1 1  -34    6   67 o   65.095   9.3427   32.699   7.9155   37.117   10.322   26.393   12.333   72.092   10.566   58.097   15.412 13.99505 18.68548 
1 1 1  -34    6   68 o  135.238   6.2547  128.700   11.157  127.996   14.235  129.822   17.964  135.362   7.7606  135.115   9.8113 0.2468719 12.50950 
1 1 1  -34    6   69 o  141.766   6.1977  141.261   11.548  139.332   14.623  144.458   18.825  141.168   7.6439  142.365   9.7580 -1.196121 12.39548 
1 1 1  -34    6   70 f  107.910   6.8154   84.158   9.6271   87.750   12.320   78.523   15.428  111.691   8.1396  104.129   10.934 7.562546 13.63081 
1 1 1  -34    6   71 o   92.324   7.3153   62.188   8.8178   64.490   11.231   58.490   14.237   95.405   8.6870   89.243   11.772 6.162498 14.63058 
1 1 1  -34    6   72 o   85.575   9.8027   57.612   10.694   46.978   16.195   65.834   14.239   76.196   16.184   94.954   11.066 -18.75848 19.60535 
1 1 1  -34    6   73 o   40.840   10.691   10.253   8.7680  -1.7884   13.500   19.038   11.531   32.884   14.721   48.795   15.509 -15.91110 21.38262 
1 1 1  -34    6   74 o  121.673   10.343  107.697   17.054   0.0000   0.0000  107.697   17.054  ?   ?   121.673   10.343      ?      ? 
1 1 1  -34    6   75 o   84.532   11.922   53.341   13.657   0.0000   0.0000   53.341   13.657  ?   ?    84.532   11.922      ?      ? 
1 1 1  -34    6   76 o   62.257   14.717   31.416   12.221   0.0000   0.0000   31.416   12.221  ?   ?    62.257   14.717      ?      ? 
1 1 1  -34    6   77 o   54.732   15.769   25.042   12.334   0.0000   0.0000   25.042   12.334  ?   ?    54.732   15.769      ?      ? 
1 1 1  -34    6   78 f   44.423   15.722   15.653   11.830   0.0000   0.0000   15.653   11.830  ?   ?    44.423   15.722      ?      ? 
1 1 1  -34    7    1 o  386.068   5.5445  1018.21   28.950  991.066   41.941  1042.91   40.010  381.051   8.1221  391.085   7.5495 -10.03360 11.08893 
1 1 1  -34    7    2 o  295.664   5.9784  597.651   23.145  599.737   29.226  594.143   37.906  296.655   7.2701  294.672   9.4926 1.983307 11.95676 
1 1 1  -34    7    3 o  240.869   4.6558  397.091   15.080  374.759   22.386  415.645   20.404  234.555   7.0428  247.184   6.0914 -12.62880 9.311615 
1 1 1  -34    7    4 o  344.951   5.2503  811.099   24.471  808.998   35.987  812.905   33.373  344.457   7.7096  345.445   7.1292 -0.9872437 10.50064 
1 1 1  -34    7    5 o  152.057   4.5676  157.374   9.2666  157.171   14.420  157.517   12.094  151.915   7.0048  152.198   5.8638 -0.2831726 9.135194 
1 1 1  -34    7    6 o  234.709   4.6642  376.222   14.743  362.071   21.867  388.016   19.963  230.583   6.9982  238.835   6.1679 -8.252319 9.328329 
1 1 1  -34    7    7 o  183.032   4.9138  234.203   11.136  243.985   13.435  212.729   19.906  189.496   5.2319  176.568   8.3192 12.92844 9.827629 
1 1 1  -34    7    8 o  213.358   4.9539  310.535   13.044  311.355   15.533  308.573   24.023  214.055   5.3549  212.661   8.3361 1.393890 9.907829 
1 1 1  -34    7    9 o  120.741   5.1319  102.118   7.7404  107.096   9.4210   91.776   13.578  125.530   5.5382  115.951   8.6415 9.578568 10.26389 
1 1 1  -34    7   10 o  103.542   5.2882   73.281   6.9636   73.738   8.5068   72.351   12.124  104.133   6.0283  102.950   8.6901 1.183449 10.57632 
1 1 1  -34    7   11 o  265.123   5.2832  476.091   17.124  472.448   20.210  485.366   32.243  263.644   5.6567  266.602   8.9247 -2.957764 10.56640 
1 1 1  -34    7   12 o  227.398   5.5451  351.594   16.741  348.116   21.564  356.871   26.562  226.119   7.0373  228.678   8.5713 -2.559021 11.09011 
1 1 1  -34    7   13 o  254.148   5.6922  437.515   19.129  427.543   24.380  453.487   30.856  250.568   7.1799  257.728   8.8348 -7.159561 11.38439 
1 1 1  -34    7   14 o  226.548   5.0524  339.181   14.032  326.123   16.474  373.690   26.781  219.061   5.5496  234.035   8.4444 -14.97394 10.10471 
1 1 1  -34    7   15 o  408.872   6.5238  1131.19   31.900  1119.07   37.125  1165.37   62.357  405.503   6.7560  412.241   11.162 -6.738068 13.04761 
1 1 1  -34    7   16 o  354.230   5.9816  826.895   25.280  796.351   29.206  918.161   50.485  342.172   6.2986  366.287   10.171 -24.11523 11.96320 
1 1 1  -34    7   17 o  426.659   6.6970  1219.94   33.995  1194.39   39.356  1295.04   67.466  418.880   6.9332  434.437   11.460 -15.55630 13.39394 
1 1 1  -34    7   18 o  351.526   7.7546  842.140   36.940  842.140   36.940   0.0000   0.0000  351.526   7.7546  ?   ?       ?      ? 
1 1 1  -34    7   19 o  396.457   8.2055  1071.93   44.084  1071.93   44.084   0.0000   0.0000  396.457   8.2055  ?   ?       ?      ? 
1 1 1  -34    7   20 o  225.225   5.5394  340.960   16.426  326.486   20.697  365.592   26.999  218.995   6.9741  231.454   8.6081 -12.46002 11.07871 
1 1 1  -34    7   21 o  269.797   5.7850  490.253   20.436  473.404   25.574  520.015   33.990  263.669   7.1575  275.925   9.0903 -12.25592 11.56993 
1 1 1  -34    7   22 o  240.814   5.6527  392.730   17.893  384.708   22.592  406.232   29.310  237.710   7.0134  243.919   8.8671 -6.209930 11.30545 
1 1 1  -34    7   23 o  264.218   5.3893  465.569   17.416  452.701   20.466  499.364   33.165  258.047   5.8525  270.389   9.0513 -12.34177 10.77860 
1 1 1  -34    7   24 o  104.575   5.8387   74.293   7.8393   73.649   9.6327   75.557   13.490  104.017   6.8338  105.133   9.4689 -1.116356 11.67733 
1 1 1  -34    7   25 o  119.128   5.6672   98.577   8.5285  102.024   10.437   91.650   14.796  122.467   6.2887  115.790   9.4297 6.677025 11.33433 
1 1 1  -34    7   26 o  217.105   5.2745  321.348   14.157  321.622   16.872  320.695   26.021  217.511   5.7241  216.699   8.8610 0.8114014 10.54910 
1 1 1  -34    7   27 o  188.235   5.2391  240.109   12.297  238.089   14.717  244.782   22.385  187.133   5.8033  189.338   8.7243 -2.205032 10.47813 
1 1 1  -34    7   28 o  238.909   5.3635  387.978   15.814  386.487   18.802  391.585   29.235  238.415   5.8194  239.402   9.0113 -0.9863434 10.72702 
1 1 1  -34    7   29 o  144.801   5.8719  142.514   11.404  139.206   15.010  147.031   17.539  142.888   7.7518  146.714   8.8219 -3.826416 11.74378 
1 1 1  -34    7   30 o  374.310   5.6524  954.482   28.647  985.509   41.580  926.446   39.524  380.067   8.0730  368.552   7.9137 11.51572 11.30489 
1 1 1  -34    7   31 o  251.785   4.9443  431.964   16.857  427.555   24.261  436.080   23.438  250.513   7.1465  253.057   6.8346 -2.544235 9.888637 
1 1 1  -34    7   32 o  308.715   5.1909  649.578   21.706  649.138   31.176  649.992   30.238  308.585   7.4552  308.845   7.2250 -0.2596741 10.38175 
1 1 1  -34    7   33 o  414.059   5.9274  1170.96   33.253  1153.75   47.222  1187.89   46.834  411.003   8.4785  417.115   8.2856 -6.111206 11.85477 
1 1 1  -34    7   34 o  192.636   7.1904  252.918   18.770  252.918   18.770   0.0000   0.0000  192.636   7.1904  ?   ?       ?      ? 
1 1 1  -34    7   35 o  255.714   6.2521  447.844   20.455  449.406   25.122  444.771   35.232  256.761   7.2201  254.667   10.209 2.094360 12.50418 
1 1 1  -34    7   36 o  129.510   6.7089  111.350   11.189  104.200   13.637  126.085   19.576  123.522   8.1466  135.497   10.662 -11.97492 13.41777 
1 1 1  -34    7   37 o  181.644   4.9367  224.585   12.126  229.469   17.814  220.368   16.554  183.452   7.1656  179.835   6.7926 3.617569 9.873457 
1 1 1  -34    7   38 o  182.255   4.9281  226.442   12.142  226.478   17.800  226.411   16.605  182.230   7.2079  182.280   6.7224 -0.5000305E-01 9.856204 
1 1 1  -34    7   39 o  309.534   5.2681  653.289   22.080  667.848   31.996  640.052   30.508  312.795   7.5484  306.275   7.3506 6.520172 10.53613 
1 1 1  -34    7   40 o  163.308   5.0885  182.549   11.223  171.885   16.231  192.317   15.534  158.667   7.5490  167.949   6.8253 -9.282028 10.17705 
1 1 1  -34    7   41 f  139.503   6.8085  139.521   11.731  118.202   20.595  149.760   14.273  130.857   11.614  148.149   7.1093 -17.29228 13.61707 
1 1 1  -34    7   42 o  156.628   10.595  168.921   22.489  168.921   22.489   0.0000   0.0000  156.628   10.595  ?   ?       ?      ? 
1 1 1  -34    7   43 o  250.835   7.2968  429.720   24.803  429.720   24.803   0.0000   0.0000  250.835   7.2968  ?   ?       ?      ? 
1 1 1  -34    7   44 o  175.641   5.0689  210.820   12.051  208.044   17.390  213.385   16.717  174.492   7.3543  176.791   6.9777 -2.299179 10.13770 
1 1 1  -34    7   45 o  209.373   6.1251  299.776   16.148  303.044   28.797  298.278   19.502  209.738   10.132  209.009   6.8855 0.7293701 12.25014 
1 1 1  -34    7   46 o  172.939   6.2167  201.617   13.555  215.415   24.434  195.484   16.291  176.748   10.201  169.131   7.1080 7.617416 12.43341 
1 1 1  -34    7   47 o  157.068   5.2018  168.695   11.047  169.818   16.195  167.717   15.107  157.509   7.5876  156.627   7.1177 0.8822937 10.40351 
1 1 1  -34    7   48 o  108.735   6.0015   81.279   8.8048   80.095   13.018   82.278   11.954  107.932   8.9005  109.537   8.0531 -1.605263 12.00291 
1 1 1  -34    7   49 o  133.651   5.5487  123.158   9.9908  113.496   14.541  131.799   13.751  128.553   8.3467  138.748   7.3134 -10.19440 11.09745 
1 1 1  -34    7   50 o  206.971   5.1210  294.197   14.321  274.424   20.534  312.924   19.983  200.077   7.5733  213.864   6.8951 -13.78712 10.24190 
1 1 1  -34    7   51 o   67.637   12.224   34.349   11.617   22.739   16.525   45.692   16.334   56.492   18.615   78.782   15.849 -22.28918 24.44826 
1 1 1  -34    7   52 o   67.950   11.438   33.122   10.207   41.243   16.479   28.066   13.001   74.367   16.754   61.533   15.577 12.83423 22.87615 
1 1 1  -34    7   53 o   56.666   11.655   23.965   9.3846   21.307   15.368   25.546   11.851   54.568   17.950   58.763   14.870 -4.194508 23.30927 
1 1 1  -34    7   54 o  173.868   5.2409  207.169   12.288  212.623   18.403  202.781   16.508  175.826   7.7237  171.911   7.0860 3.915421 10.48175 
1 1 1  -34    7   55 o  153.697   5.2775  163.522   10.916  147.917   15.847  177.612   15.058  146.511   7.9815  160.884   6.9067 -14.37236 10.55493 
1 1 1  -34    7   56 o  153.128   5.2660  161.534   10.886  159.339   16.045  163.407   14.819  152.053   7.7866  154.204   7.0917 -2.150253 10.53206 
1 1 1  -34    7   57 o  202.722   5.0525  281.352   13.839  300.338   20.561  265.625   18.712  208.894   7.2633  196.550   7.0254 12.34393 10.10498 
1 1 1  -34    7   58 o  154.036   5.2659  164.307   10.942  151.988   15.817  175.611   15.152  148.320   7.8696  159.753   6.9991 -11.43286 10.53174 
1 1 1  -34    7   59 o   56.928   9.2560   24.124   6.9614   23.298   10.457   24.781   9.3288   55.809   13.884   58.048   12.245 -2.238796 18.51209 
1 1 1  -34    7   60 o  142.160   6.7122  145.261   11.974  130.082   20.717  152.875   14.673  135.512   11.281  148.807   7.2763 -13.29514 13.42449 
1 1 1  -34    7   61 o  150.028   5.3700  156.224   10.882  150.001   15.839  161.786   14.976  147.038   7.9492  153.018   7.2220 -5.979462 10.73997 
1 1 1  -34    7   62 o  145.974   5.3250  147.957   10.508  142.348   15.204  153.086   14.540  143.186   7.8359  148.762   7.2127 -5.576172 10.65007 
1 1 1  -34    7   63 o   76.195   8.2422   41.124   8.2109   33.278   10.803   51.855   12.634   67.057   12.344   85.334   10.926 -18.27690 16.48434 
1 1 1  -34    7   64 o   81.856   7.7535   46.440   8.4109   35.019   10.983   62.635   13.079   69.788   11.614   93.924   10.276 -24.13573 15.50704 
1 1 1  -34    7   65 o   34.980   9.9870   5.3641   7.3216   7.4529   9.3954   2.1341   11.683   36.025   13.783   33.934   14.456 2.090229 19.97407 
1 1 1  -34    7   66 o   75.936   10.497   41.270   10.802   41.270   10.802   0.0000   0.0000   75.936   10.497  ?   ?       ?      ? 
1 1 1  -34    7   67 o   58.824   9.0877   24.373   7.4096   12.714   9.5790   41.741   11.692   41.768   14.180   75.881   11.370 -34.11349 18.17531 
1 1 1  -34    7   68 o   62.566   9.4611   29.482   7.6890   26.236   9.9785   34.227   12.064   58.546   12.923   66.587   13.822 -8.040775 18.92214 
1 1 1  -34    7   69 o   89.578   7.4381   58.163   8.8160   58.970   11.382   56.952   13.937   90.999   9.2303   88.158   11.666 2.840553 14.87627 
1 1 1  -34    7   70 o  151.320   7.6237  167.749   15.437  155.566   23.135  177.526   20.725  145.370   11.744  157.271   9.7246 -11.90067 15.24745 
1 1 1  -34    7   71 o   85.799   9.6966   55.232   11.097   60.539   17.564   51.706   14.316   88.524   14.642   83.075   12.717 5.448975 19.39320 
1 1 1  -34    7   72 o   69.878   10.953   40.565   10.197   31.800   15.979   46.586   13.244   60.853   18.067   78.903   12.386 -18.05000 21.90513 
1 1 1  -34    7   73 o   80.552   12.916   49.146   14.099   0.0000   0.0000   49.146   14.099  ?   ?    80.552   12.916      ?      ? 
1 1 1  -34    7   74 o  135.760   10.210  134.416   18.784   0.0000   0.0000  134.416   18.784  ?   ?   135.760   10.210      ?      ? 
1 1 1  -34    7   75 o   76.814   13.894   46.654   13.930   0.0000   0.0000   46.654   13.930  ?   ?    76.814   13.894      ?      ? 
1 1 1  -34    7   76 o   45.056   15.870   16.177   12.041   0.0000   0.0000   16.177   12.041  ?   ?    45.056   15.870      ?      ? 
1 1 1  -34    7   77 o   62.483   15.622   32.741   13.192   0.0000   0.0000   32.741   13.192  ?   ?    62.483   15.622      ?      ? 
1 1 1  -34    8    1 o   81.809   6.7657   43.651   5.8241   49.522   13.923   42.405   6.4120   84.691   12.131   78.928   5.9949 5.763618 13.53150 
1 1 1  -34    8    2 o   88.849   6.8232   53.569   6.4477   55.008   14.841   53.235   7.1586   89.259   12.270   88.439   5.9731 0.8196411 13.64644 
1 1 1  -34    8    3 o  166.105   5.6939  185.965   10.987  193.303   22.489  183.665   12.592  167.894   9.8845  164.316   5.6548 3.578430 11.38776 
1 1 1  -34    8    4 o  120.467   6.3125  102.987   8.5071   92.651   17.689  106.097   9.7029  116.048   11.248  124.885   5.7333 -8.836678 12.62498 
1 1 1  -34    8    5 o  221.252   6.5942  334.437   19.670  341.780   29.481  328.546   26.407  223.333   9.7410  219.171   8.8909 4.161591 13.18844 
1 1 1  -34    8    6 o  245.105   8.5555  410.559   28.417   0.0000   0.0000  410.559   28.417  ?   ?   245.105   8.5555      ?      ? 
1 1 1  -34    8    7 o  198.318   4.8440  265.878   11.976  262.733   14.318  273.202   21.851  196.587   5.3746  200.049   8.0604 -3.461777 9.687967 
1 1 1  -34    8    8 o  225.243   4.9289  335.280   13.721  321.257   16.190  371.036   25.852  217.370   5.4962  233.116   8.1835 -15.74620 9.857862 
1 1 1  -34    8    9 o  360.053   5.9769  865.201   25.858  842.500   30.066  929.704   50.681  351.829   6.3062  368.276   10.155 -16.44626 11.95384 
1 1 1  -34    8   10 o  210.557   4.9527  298.246   12.934  292.759   15.379  311.505   23.906  207.516   5.4689  213.599   8.2589 -6.083374 9.905451 
1 1 1  -34    8   11 o  384.824   6.2115  979.173   28.456  945.115   32.853  1081.48   56.941  372.602   6.5065  397.047   10.583 -24.44571 12.42301 
1 1 1  -34    8   12 f  301.100   5.5486  615.957   20.340  612.751   23.956  624.235   38.498  300.147   5.8898  302.053   9.4052 -1.906036 11.09718 
1 1 1  -34    8   13 o  186.690   4.9031  232.239   11.472  224.259   13.702  250.944   20.978  181.618   5.5672  191.761   8.0727 -10.14328 9.806191 
1 1 1  -34    8   14 o  272.192   5.8422  506.863   21.056  511.090   27.109  500.433   33.433  273.846   7.3050  270.537   9.1193 3.308899 11.68436 
1 1 1  -34    8   15 o  285.010   5.5097  555.902   19.200  558.402   22.732  549.680   35.863  286.540   5.8543  283.479   9.3355 3.060944 11.01933 
1 1 1  -34    8   16 o  440.072   6.8367  1312.34   35.934  1297.72   41.791  1353.81   70.385  436.451   7.0658  443.692   11.706 -7.241669 13.67333 
1 1 1  -34    8   17 o  246.180   5.4732  432.355   16.559  463.308   20.054  366.035   29.354  261.035   5.6691  231.324   9.3640 29.71152 10.94643 
1 1 1  -34    8   18 o  437.170   6.8118  1297.22   35.671  1284.99   41.571  1331.38   69.467  434.306   7.0633  440.034   11.649 -5.727478 13.62357 
1 1 1  -34    8   19 o  278.544   5.8738  527.684   22.172  527.684   22.172   0.0000   0.0000  278.544   5.8738  ?   ?       ?      ? 
1 1 1  -34    8   20 o  280.747   5.8900  536.082   22.408  536.082   22.408   0.0000   0.0000  280.747   5.8900  ?   ?       ?      ? 
1 1 1  -34    8   21 o  188.288   5.1272  240.512   12.117  238.725   14.580  244.502   21.784  187.364   5.7423  189.212   8.4958 -1.847626 10.25442 
1 1 1  -34    8   22 o  298.934   5.6652  608.782   20.719  607.453   24.499  612.120   38.823  298.815   6.0501  299.053   9.5799 -0.2380981 11.33043 
1 1 1  -34    8   23 o  382.336   6.2992  973.829   28.840  946.161   33.452  1053.94   56.919  372.776   6.6220  391.895   10.718 -19.11914 12.59841 
1 1 1  -34    8   24 o  218.510   5.2390  323.989   14.271  321.647   17.081  329.402   25.970  217.468   5.7961  219.552   8.7288 -2.083435 10.47791 
1 1 1  -34    8   25 o  362.968   6.2113  903.217   27.387  906.739   32.290  894.185   51.701  364.937   6.5292  360.999   10.568 3.938416 12.42258 
1 1 1  -34    8   26 o  220.941   5.2448  328.475   14.427  321.976   17.198  343.907   26.501  217.566   5.8332  224.317   8.7180 -6.750961 10.48950 
1 1 1  -34    8   27 o  189.390   5.3219  249.775   12.565  258.414   15.207  231.187   22.306  194.917   5.7571  183.864   8.9524 11.05266 10.64382 
1 1 1  -34    8   28 o  232.003   5.4029  372.141   15.570  379.938   18.722  354.651   28.040  236.325   5.8460  227.680   9.0879 8.644089 10.80582 
1 1 1  -34    8   29 o  213.704   5.7625  312.016   16.444  312.620   21.511  311.168   25.506  214.098   7.4141  213.310   8.8236 0.7872162 11.52497 
1 1 1  -34    8   30 o  126.268   6.1544  109.017   10.491  108.969   14.236  109.075   15.522  126.287   8.3183  126.249   9.0725 0.3797913E-01 12.30871 
1 1 1  -34    8   31 o  176.304   5.2670  208.820   11.728  203.345   14.126  220.964   21.039  172.848   6.0308  179.759   8.6369 -6.910385 10.53403 
1 1 1  -34    8   32 o   94.566   6.7019   64.129   8.0374   71.093   10.108   52.153   13.255  102.089   7.3062   87.042   11.237 15.04691 13.40370 
1 1 1  -34    8   33 o   89.505   6.2053   55.579   7.4011   49.637   11.157   60.249   9.8905   85.078   9.6773   93.932   7.7700 -8.853958 12.41060 
1 1 1  -34    8   34 o  227.946   4.9001  353.336   15.100  367.649   22.289  341.192   20.530  232.169   7.0844  223.723   6.7716 8.445953 9.800164 
1 1 1  -34    8   35 o  237.921   6.1296  374.862   18.572  352.500   22.390  424.173   33.249  227.275   7.2699  248.567   9.8709 -21.29230 12.25910 
1 1 1  -34    8   36 f  111.547   7.3484   86.823   10.408   89.334   12.780   81.880   17.933  114.282   8.2523  108.812   12.161 5.469994 14.69686 
1 1 1  -34    8   37 o  167.320   5.7305  189.508   12.724  182.187   16.273  201.025   20.410  163.344   7.3517  171.297   8.7924 -7.952972 11.46095 
1 1 1  -34    8   38 o  148.655   5.8964  150.434   11.664  146.964   15.050  155.652   18.456  146.653   7.5730  150.656   9.0398 -4.003128 11.79275 
1 1 1  -34    8   39 o  157.403   5.8692  167.238   12.279  158.042   15.711  181.671   19.684  152.050   7.6252  162.756   8.9246 -10.70569 11.73846 
1 1 1  -34    8   40 o  193.965   4.9541  256.535   12.990  261.869   19.135  251.977   17.690  195.787   7.2120  192.142   6.7940 3.644897 9.908163 
1 1 1  -34    8   41 o  161.403   5.0889  178.913   11.067  166.944   16.185  189.423   15.166  156.220   7.6454  166.586   6.7182 -10.36577 10.17772 
1 1 1  -34    8   42 o  236.581   5.0125  380.947   16.028  403.275   23.739  362.242   21.728  242.891   7.2123  230.271   6.9631 12.61983 10.02507 
1 1 1  -34    8   43 o   88.306   6.6598   54.658   7.8084   46.921   11.721   60.832   10.470   82.418   10.494   94.194   8.2026 -11.77619 13.31961 
1 1 1  -34    8   44 o  171.598   5.0922  201.094   11.800  205.224   17.504  197.653   15.977  173.151   7.4599  170.045   6.9334 3.106705 10.18439 
1 1 1  -34    8   45 o   79.514   9.5809   48.809   8.7863   36.906   16.120   53.839   10.480   70.534   17.053   88.495   8.7387 -17.96088 19.16174 
1 1 1  -34    8   46 o  176.144   5.1830  213.297   12.303  203.490   18.129  221.669   16.750  172.261   7.7662  180.026   6.8660 -7.765015 10.36607 
1 1 1  -34    8   47 o  154.009   9.5612  163.785   19.955   0.0000   0.0000  163.785   19.955  ?   ?   154.009   9.5612      ?      ? 
1 1 1  -34    8   49 o   47.599   12.333   13.962   10.379   14.919   15.262   13.138   14.157   48.754   17.780   46.444   17.096 2.310219 24.66614 
1 1 1  -34    8   50 o  125.555   5.6437  108.871   9.5635  100.184   13.739  117.036   13.320  120.574   8.4086  130.537   7.5300 -9.963951 11.28741 
1 1 1  -34    8   51 o  245.891   6.4356  420.454   20.174  424.949   24.753  411.561   34.816  248.740   7.3433  243.041   10.571 5.699112 12.87129 
1 1 1  -34    8   52 o  152.490   5.2987  161.592   10.813  135.177   15.497  186.651   15.094  140.006   8.1681  164.974   6.7516 -24.96812 10.59731 
1 1 1  -34    8   53 o  107.768   5.9817   80.261   8.6998   80.420   12.901   80.129   11.782  107.770   8.8339  107.766   8.0675 0.3135681E-02 11.96331 
1 1 1  -34    8   54 o  172.325   5.1530  205.176   11.981  192.465   17.405  216.626   16.518  167.081   7.6870  177.569   6.8647 -10.48714 10.30601 
1 1 1  -34    8   55 o   95.714   6.3484   63.833   8.1464   62.213   12.362   65.076   10.831   94.452   9.6585   96.976   8.2414 -2.523987 12.69673 
1 1 1  -34    8   56 o  106.624   6.0468   79.636   8.6431   71.872   12.766   86.207   11.744  101.557   9.2763  111.690   7.7592 -10.13240 12.09358 
1 1 1  -34    8   57 o  153.693   5.2069  162.917   10.828  165.962   15.821  160.234   14.850  154.976   7.5331  152.410   7.1902 2.565811 10.41380 
1 1 1  -34    8   58 o  170.180   5.1720  200.944   11.868  180.635   16.938  220.532   16.635  161.499   7.7394  178.860   6.8631 -17.36023 10.34409 
1 1 1  -34    8   59 o  126.477   5.5297  111.380   9.4345  105.504   13.774  116.573   12.949  123.155   8.2532  129.799   7.3618 -6.643852 11.05945 
1 1 1  -34    8   60 o   70.475   10.462   37.954   9.6139   36.188   14.486   39.344   12.853   68.405   15.925   72.545   13.573 -4.139549 20.92402 
1 1 1  -34    8   61 o  195.361   5.9216  260.988   15.210  244.798   19.066  289.322   25.223  187.783   7.4926  202.938   9.1718 -15.15497 11.84321 
1 1 1  -34    8   62 o   80.725   9.0863   51.706   8.9529   68.993   12.055   30.442   13.370   99.075   8.9786   62.376   15.800 36.69887 18.17256 
1 1 1  -34    8   63 o   79.517   8.5301   47.563   8.6711   54.535   11.611   38.773   13.038   87.685   9.7718   71.349   13.984 16.33601 17.06025 
1 1 1  -34    8   64 o   75.073   9.0657   44.232   8.5381   54.831   11.364   30.494   12.938   87.907   9.5398   62.239   15.419 25.66752 18.13141 
1 1 1  -34    8   65 o   82.438   10.105   48.620   11.289   48.620   11.289   0.0000   0.0000   82.438   10.105  ?   ?       ?      ? 
1 1 1  -34    8   66 o   59.834   10.029   28.587   7.9295   31.196   10.166   24.535   12.671   64.374   12.098   55.294   15.998 9.079838 20.05739 
1 1 1  -34    8   67 o   78.855   10.453   51.687   10.529   30.196   15.751   69.048   14.156   60.073   17.960   97.637   10.699 -37.56459 20.90544 
1 1 1  -34    8   68 o   56.073   11.543   26.108   9.4254   21.311   14.511   29.609   12.396   51.345   17.453   60.801   15.111 -9.455509 23.08558 
1 1 1  -34    8   69 o   93.339   9.1170   64.756   11.299   69.084   18.044   61.965   14.492   95.049   14.009   91.630   11.671 3.419182 18.23390 
1 1 1  -34    8   70 o   79.116   10.101   47.596   10.500   57.519   16.460   40.787   13.635   86.515   14.039   71.717   14.527 14.79784 20.20280 
1 1 1  -34    8   71 o   34.179   10.060   3.1900   8.2552  -6.5180   12.835   10.040   10.781   29.515   13.645   38.842   14.788 -9.326830 20.12099 
1 1 1  -34    8   72 o   77.784   10.281   48.794   10.411   39.593   15.373   56.588   14.149   68.651   16.688   86.918   12.012 -18.26718 20.56137 
1 1 1  -34    8   73 o  135.490   10.313  134.395   18.935   0.0000   0.0000  134.395   18.935  ?   ?   135.490   10.313      ?      ? 
1 1 1  -34    8   74 f  121.793   10.758  109.612   17.756   0.0000   0.0000  109.612   17.756  ?   ?   121.793   10.758      ?      ? 
1 1 1  -34    8   75 o   59.465   16.097   30.039   13.289   0.0000   0.0000   30.039   13.289  ?   ?    59.465   16.097      ?      ? 
1 1 1  -34    8   76 o   40.011   15.642   11.069   12.293   0.0000   0.0000   11.069   12.293  ?   ?    40.011   15.642      ?      ? 
1 1 1  -34    9    1 o  330.974   5.1144  750.280   22.803  727.960   33.858  768.810   30.849  326.296   7.6570  335.652   6.7822 -9.356262 10.22880 
1 1 1  -34    9    2 o  144.074   5.1545  141.848   10.058  146.551   14.176  137.080   14.273  146.503   7.1402  141.644   7.4359 4.859039 10.30897 
1 1 1  -34    9    3 o  158.492   4.5188  174.178   9.3743  158.980   15.000  183.918   12.008  152.583   7.2543  164.400   5.3901 -11.81676 9.037609 
1 1 1  -34    9    5 o  148.178   4.4498  143.606   8.4290  132.674   10.170  167.593   15.064  139.645   5.3742  156.711   7.0936 -17.06624 8.899545 
1 1 1  -34    9    6 o  148.224   5.2681  149.442   10.582  149.442   10.582   0.0000   0.0000  148.224   5.2681  ?   ?       ?      ? 
1 1 1  -34    9    7 o  100.678   5.8462   69.002   7.9761   69.002   7.9761   0.0000   0.0000  100.678   5.8462  ?   ?       ?      ? 
1 1 1  -34    9    8 o  162.395   4.6812  177.242   9.6160  172.911   11.602  186.743   17.185  159.436   5.3701  165.355   7.6693 -5.919022 9.362496 
1 1 1  -34    9    9 o  124.516   4.7639  101.433   7.6283   93.103   9.2536  119.098   13.476  116.954   5.8387  132.078   7.5292 -15.12425 9.527784 
1 1 1  -34    9   10 o  119.467   5.0111   97.204   7.6543   96.908   9.3778   97.794   13.249  119.326   5.7994  119.608   8.1739 -0.2817535 10.02227 
1 1 1  -34    9   11 o  128.194   5.0635  115.163   8.2178  121.442   10.134  103.107   14.042  133.603   5.5975  122.784   8.4395 10.81853 10.12709 
1 1 1  -34    9   12 o  172.704   5.0487  211.978   10.869  227.762   13.313  180.424   18.822  182.999   5.3682  162.408   8.5522 20.59087 10.09741 
1 1 1  -34    9   13 o  188.159   4.9132  240.084   11.556  238.031   13.858  244.773   20.941  187.068   5.4665  189.250   8.1655 -2.181793 9.826383 
1 1 1  -34    9   14 o  177.066   5.3838  211.825   12.786  199.693   16.731  228.856   19.823  171.101   7.2157  183.031   7.9923 -11.92969 10.76768 
1 1 1  -34    9   15 o  146.577   5.5114  145.956   10.886  140.035   14.523  153.547   16.444  143.247   7.4816  149.908   8.0949 -6.660248 11.02279 
1 1 1  -34    9   16 o  245.728   5.2714  416.334   16.026  422.813   19.186  401.380   29.149  249.288   5.6795  242.168   8.8822 7.120453 10.54274 
1 1 1  -34    9   17 f  151.389   5.0283  151.932   9.6502  144.496   11.607  168.581   17.368  145.711   5.8781  157.066   8.1599 -11.35548 10.05659 
1 1 1  -34    9   18 o  258.964   5.2588  442.375   16.665  423.408   19.526  493.246   31.978  249.446   5.7765  268.482   8.7893 -19.03647 10.51756 
1 1 1  -34    9   19 o  155.979   5.0174  164.489   9.9726  161.786   12.138  170.104   17.493  154.189   5.8092  157.769   8.1822 -3.579620 10.03470 
1 1 1  -34    9   20 o  179.070   5.6971  218.179   13.825  218.179   13.825   0.0000   0.0000  179.070   5.6971  ?   ?       ?      ? 
1 1 1  -34    9   21 o  191.624   5.1009  242.163   12.098  230.865   14.277  270.944   22.787  184.197   5.7195  199.051   8.4477 -14.85333 10.20181 
1 1 1  -34    9   22 o  184.246   5.1015  225.415   11.765  216.093   14.018  247.626   21.638  178.193   5.8049  190.299   8.3907 -12.10568 10.20304 
1 1 1  -34    9   23 o  127.711   5.3669  107.685   8.8475  100.060   10.798  123.263   15.434  121.178   6.5755  134.244   8.4840 -13.06604 10.73388 
1 1 1  -34    9   24 f  115.937   5.8429   95.470   8.6351  104.262   10.850   80.278   14.262  123.703   6.4722  108.170   9.7298 15.53309 11.68578 
1 1 1  -34    9   25 o  123.735   5.5171  103.424   8.8034  100.894   10.830  108.352   15.114  121.675   6.5682  125.795   8.8663 -4.119453 11.03415 
1 1 1  -34    9   26 o  169.747   5.2774  198.921   11.298  202.939   13.749  190.567   19.823  172.659   5.8764  166.836   8.7678 5.823196 10.55489 
1 1 1  -34    9   27 o  103.892   6.1695   76.666   8.1771   83.499   10.274   64.853   13.508  110.653   6.8513   97.131   10.262 13.52153 12.33899 
1 1 1  -34    9   28 o  143.037   5.4512  140.657   9.9504  142.446   12.219  137.134   17.145  144.600   6.2355  141.474   8.9432 3.126541 10.90237 
1 1 1  -34    9   29 o  141.962   5.9712  138.217   11.431  141.020   15.515  134.890   16.906  143.616   7.9722  140.307   8.8918 3.309586 11.94236 
1 1 1  -34    9   30 o  189.068   6.7557  236.477   16.983  297.934   27.373  198.018   21.654  208.273   9.6986  169.863   9.4072 38.41016 13.51141 
1 1 1  -34    9   31 o  162.393   5.7376  181.539   12.368  186.297   16.078  174.643   19.355  165.185   7.1826  159.601   8.9492 5.584320 11.47511 
1 1 1  -34    9   32 o  144.468   5.8722  140.981   11.313  132.813   14.576  153.355   17.942  139.378   7.7175  149.557   8.8526 -10.17989 11.74430 
1 1 1  -34    9   33 o  338.191   6.5607  800.103   29.036  850.453   37.284  722.506   46.286  352.620   7.8025  323.762   10.550 28.85773 13.12147 
1 1 1  -34    9   34 o  202.650   5.4881  286.065   13.900  294.867   16.841  267.260   24.616  208.021   5.9743  197.279   9.2079 10.74167 10.97623 
1 1 1  -34    9   35 o  264.710   6.0911  477.659   21.850  477.659   21.850   0.0000   0.0000  264.710   6.0911  ?   ?       ?      ? 
1 1 1  -34    9   36 o  160.392   6.4025  174.043   13.231  168.353   16.236  185.295   22.830  156.862   7.6380  163.922   10.278 -7.060303 12.80492 
1 1 1  -34    9   37 f  325.877   5.3833  726.686   23.756  728.656   34.269  724.863   32.962  326.243   7.7514  325.511   7.4724 0.7320557 10.76667 
1 1 1  -34    9   38 o  177.871   4.9900  216.109   11.987  218.252   17.734  214.307   16.266  178.622   7.3265  177.121   6.7767 1.500320 9.980023 
1 1 1  -34    9   39 o  182.192   4.9747  224.986   12.226  249.143   18.382  205.819   16.373  190.870   7.1066  173.514   6.9634 17.35541 9.949485 
1 1 1  -34    9   40 o  196.239   4.9889  263.053   13.231  268.016   19.519  258.835   17.997  197.890   7.2787  194.589   6.8248 3.301544 9.977875 
1 1 1  -34    9   41 o  124.433   5.5522  105.632   9.2767  110.192   14.231  102.263   12.233  126.669   8.2905  122.196   7.3875 4.473579 11.10436 
1 1 1  -34    9   42 o  106.063   6.1707   75.847   8.7626   87.800   13.757   67.686   11.367  112.903   8.9916   99.224   8.4535 13.67857 12.34140 
1 1 1  -34    9   43 o  244.225   7.0890  411.094   23.270  425.777   35.485  400.015   30.824  247.750   10.569  240.699   9.4499 7.050720 14.17794 
1 1 1  -34    9   44 o  137.555   7.2099  134.269   11.711  124.570   22.651  137.808   13.681  133.290   12.540  141.820   7.1188 -8.530136 14.41986 
1 1 1  -34    9   45 o  153.783   6.5879  167.058   12.300  155.012   22.797  172.005   14.608  149.081   11.284  158.485   6.8019 -9.404510 13.17572 
1 1 1  -34    9   46 o   69.394   7.5117   33.027   7.0122   38.479   10.679   28.894   9.2975   74.360   10.597   64.429   10.649 9.931335 15.02341 
1 1 1  -34    9   47 o   67.290   7.8139   32.020   6.8932   32.258   10.525   31.840   9.1219   66.866   12.059   67.714   9.9408 -0.8481216 15.62787 
1 1 1  -34    9   48 f   73.310   7.7928   37.512   7.2167   55.282   10.976   23.981   9.5780   89.365   9.0636   57.254   12.679 32.11152 15.58567 
1 1 1  -34    9   49 o   83.733   6.6768   48.765   7.5213   47.863   11.272   49.489   10.098   82.904   10.033   84.562   8.8118 -1.658081 13.35358 
1 1 1  -34    9   50 o  122.880   6.7530   97.528   10.792   79.372   13.190  134.301   18.772  106.958   9.1003  138.801   9.9799 -31.84293 13.50609 
1 1 1  -34    9   51 o  176.149   6.2890  210.386   14.299  199.820   17.525  231.431   24.733  170.243   7.5964  182.055   10.025 -11.81270 12.57796 
1 1 1  -34    9   52 o   92.579   6.3856   59.615   7.9228   59.377   12.114   59.793   10.473   92.239   9.6915   92.919   8.3174 -0.6798096 12.77126 
1 1 1  -34    9   53 o  160.061   5.2451  176.563   11.334  179.433   16.829  174.181   15.333  161.134   7.7069  158.987   7.1167 2.146210 10.49017 
1 1 1  -34    9   54 o  109.401   7.1997   82.073   10.016   89.923   17.826   78.452   12.107  112.518   11.691  106.285   8.4058 6.232422 14.39946 
1 1 1  -34    9   55 f  124.715   8.1897  110.306   13.767   95.695   18.958  126.607   20.026  115.738   12.087  133.691   11.053 -17.95278 16.37944 
1 1 1  -34    9   56 o  138.056   6.8707  134.521   12.129  135.852   14.937  131.945   20.781  139.907   7.8783  136.206   11.259 3.701218 13.74136 
1 1 1  -34    9   57 o  121.039   6.7618  102.035   10.706   99.316   13.418  106.799   17.760  119.386   8.2937  122.691   10.682 -3.305504 13.52357 
1 1 1  -34    9   58 o  170.204   6.1306  203.880   13.687  207.704   17.421  197.712   22.124  173.017   7.4304  167.390   9.7531 5.626785 12.26111 
1 1 1  -34    9   59 o   55.544   11.387   24.490   9.1965   19.385   14.219   28.161   12.058   50.699   17.276   60.390   14.840 -9.691452 22.77476 
1 1 1  -34    9   60 o   81.678   8.5244   50.114   8.8424   55.298   11.536   42.730   13.768   88.376   9.6324   74.981   14.067 13.39561 17.04889 
1 1 1  -34    9   61 o  107.064   6.6680   79.608   9.5006   73.280   12.152   89.557   15.237  102.003   8.7913  112.125   10.028 -10.12214 13.33602 
1 1 1  -34    9   62 o  101.763   6.8334   73.925   9.1725   74.818   11.765   72.541   14.647  103.136   8.4177  100.390   10.767 2.746017 13.66684 
1 1 1  -34    9   63 o   89.931   7.3180   58.482   8.6636   59.883   11.121   56.318   13.818   91.968   8.9232   87.894   11.601 4.073868 14.63594 
1 1 1  -34    9   64 o   73.028   10.230   38.367   10.124   38.367   10.124   0.0000   0.0000   73.028   10.230  ?   ?       ?      ? 
1 1 1  -34    9   65 o   32.862   14.333   0.6948   12.021   0.6948   12.021   0.0000   0.0000   32.862   14.333  ?   ?       ?      ? 
1 1 1  -34    9   66 o   73.178   10.273   41.325   9.7419   48.676   15.108   36.093   12.745   78.644   14.717   67.711   14.337 10.93283 20.54603 
1 1 1  -34    9   67 o  107.231   8.2446   84.332   11.829   88.989   18.403   81.054   15.441  109.114   12.446  105.348   10.816 3.765953 16.48911 
1 1 1  -34    9   68 o  117.161   8.1044  102.385   12.656   94.244   19.147  108.702   16.866  111.950   12.621  122.372   10.170 -10.42238 16.20874 
1 1 1  -34    9   69 o   89.961   9.6541   64.382   10.983   49.304   16.342   76.803   14.832   77.550   16.078  102.372   10.692 -24.82191 19.30811 
1 1 1  -34    9   70 o   33.958   10.199   1.7613   8.2991   9.6510   12.788  -3.9796   10.908   39.640   15.810   28.277   12.888 11.36282 20.39751 
1 1 1  -34    9   71 o   88.315   10.017   63.484   11.098   43.755   16.196   80.947   15.238   71.831   16.918  104.799   10.730 -32.96735 20.03362 
1 1 1  -34    9   72 o   60.026   16.076   30.423   13.338   0.0000   0.0000   30.423   13.338  ?   ?    60.026   16.076      ?      ? 
1 1 1  -34    9   73 o   90.649   12.311   62.570   15.123   0.0000   0.0000   62.570   15.123  ?   ?    90.649   12.311      ?      ? 
1 1 1  -34    9   74 o   44.863   15.983   16.312   12.247   0.0000   0.0000   16.312   12.247  ?   ?    44.863   15.983      ?      ? 
1 1 1  -34    9   75 o   84.207   12.871   55.146   14.688   0.0000   0.0000   55.146   14.688  ?   ?    84.207   12.871      ?      ? 
1 1 1  -34    9   76 o   53.068   16.312   24.768   12.867   0.0000   0.0000   24.768   12.867  ?   ?    53.068   16.312      ?      ? 
1 1 1  -34   10    1 o   98.085   8.2432   66.032   10.957   66.032   10.957   0.0000   0.0000   98.085   8.2432  ?   ?       ?      ? 
1 1 1  -34   10    2 o  245.272   4.6159  414.401   15.092  389.141   23.135  433.116   19.913  238.514   7.1576  252.031   5.8305 -13.51733 9.231804 
1 1 1  -34   10    3 o  160.592   4.3802  171.404   9.2095  193.335   15.501  159.438   11.450  168.211   6.8000  152.973   5.5232 15.23834 8.760469 
1 1 1  -34   10    4 f  123.564   5.2071  104.627   8.7016  100.934   12.565  108.031   12.062  121.420   7.6366  125.707   7.0807 -4.286835 10.41413 
1 1 1  -34   10    5 f   92.436   4.8043   59.622   5.7843   63.549   7.3838   53.385   9.3063   96.576   5.6420   88.296   7.7778 8.280121 9.608612 
1 1 1  -34   10    6 o  105.579   4.8177   78.124   6.5467   83.277   8.2376   69.289   10.786  110.575   5.4975  100.583   7.9133 9.992088 9.635477 
1 1 1  -34   10    7 o  184.438   4.8519  239.716   11.186  253.117   13.654  212.367   19.506  192.833   5.2253  176.042   8.1767 16.79004 9.703708 
1 1 1  -34   10    8 o  202.041   5.3527  277.914   14.655  277.914   14.655   0.0000   0.0000  202.041   5.3527  ?   ?       ?      ? 
1 1 1  -34   10    9 o  178.040   4.6318  210.148   10.479  199.413   12.625  233.910   18.784  171.135   5.4441  184.945   7.4950 -13.80910 9.263558 
1 1 1  -34   10   10 o  186.204   5.0964  251.038   11.789  279.188   14.584  197.968   20.024  202.522   5.3139  169.885   8.6981 32.63731 10.19283 
1 1 1  -34   10   11 o  190.098   4.8583  246.911   11.633  247.237   14.073  246.206   20.672  190.564   5.4497  189.633   8.0444 0.9310303 9.716516 
1 1 1  -34   10   12 o  164.275   4.7706  180.452   10.039  173.181   12.219  195.554   17.610  159.464   5.6544  169.086   7.6853 -9.622223 9.541289 
1 1 1  -34   10   13 o  200.319   4.9617  275.605   12.552  278.465   15.255  269.608   22.088  202.227   5.5664  198.411   8.2152 3.815735 9.923415 
1 1 1  -34   10   14 o  186.270   4.8613  233.294   11.496  226.927   13.910  247.018   20.422  182.550   5.6227  189.991   7.9319 -7.441452 9.722664 
1 1 1  -34   10   15 o   79.123   6.8487   42.964   7.3335   44.613   10.713   41.510   10.060   80.533   9.8168   77.713   9.5524 2.819870 13.69733 
1 1 1  -34   10   16 o  158.102   4.8561  163.503   9.8848  149.383   11.999  193.317   17.437  148.066   5.9802  168.137   7.6527 -20.07156 9.712219 
1 1 1  -34   10   17 o  198.837   5.0588  270.639   12.751  271.753   15.525  268.329   22.355  199.751   5.7352  197.922   8.3350 1.828735 10.11757 
1 1 1  -34   10   18 o  149.262   5.1235  152.848   9.8270  154.269   12.142  150.148   16.731  150.471   5.9546  148.053   8.3392 2.417953 10.24694 
1 1 1  -34   10   19 o   78.931   6.8840   42.565   7.3383   39.335   9.8991   46.505   10.934   75.638   9.6577   82.223   9.8127 -6.585068 13.76805 
1 1 1  -34   10   20 o  192.271   6.8365  252.341   17.813  252.341   17.813   0.0000   0.0000  192.271   6.8365  ?   ?       ?      ? 
1 1 1  -34   10   21 o  200.288   6.8584  273.846   18.615  273.846   18.615   0.0000   0.0000  200.288   6.8584  ?   ?       ?      ? 
1 1 1  -34   10   22 o  155.434   5.5606  166.797   11.508  174.230   15.141  156.630   17.708  159.730   6.9950  151.137   8.6458 8.592697 11.12113 
1 1 1  -34   10   23 o  199.235   5.4589  265.220   14.405  243.730   18.233  300.915   23.499  188.888   7.1232  209.582   8.2739 -20.69452 10.91772 
1 1 1  -34   10   24 o  201.537   5.4750  271.859   14.654  249.693   18.646  307.663   23.697  191.160   7.1978  211.913   8.2520 -20.75371 10.95007 
1 1 1  -34   10   25 o  181.932   5.1192  220.113   11.950  208.185   14.531  245.035   21.004  174.743   6.1365  189.121   8.1955 -14.37782 10.23830 
1 1 1  -34   10   26 o  205.025   5.1662  281.571   13.340  272.132   16.005  303.049   24.144  199.824   5.9106  210.226   8.4749 -10.40170 10.33242 
1 1 1  -34   10   27 o  204.134   5.0759  269.155   13.016  245.810   15.428  326.804   24.244  189.890   5.9954  218.377   8.1923 -28.48727 10.15179 
1 1 1  -34   10   28 o  110.645   5.6590   81.526   8.1901   75.499   10.163   92.692   13.833  105.098   7.1358  116.191   8.7851 -11.09331 11.31802 
1 1 1  -34   10   29 o   99.557   6.6957   68.567   8.9795   75.789   12.563   61.024   12.839  105.046   8.8253   94.069   10.072 10.97742 13.39149 
1 1 1  -34   10   30 o  124.672   6.1140  106.639   10.288  105.797   13.919  107.654   15.275  124.200   8.2699  125.145   9.0073 -0.9448471 12.22800 
1 1 1  -34   10   31 o  177.819   5.2328  210.885   11.793  201.457   14.195  231.892   21.188  171.849   6.0954  183.788   8.5074 -11.93916 10.46569 
1 1 1  -34   10   32 o  251.819   5.5916  444.766   17.515  461.647   21.192  408.371   31.116  260.148   6.0113  243.489   9.4302 16.65862 11.18322 
1 1 1  -34   10   33 o   94.093   6.6749   62.647   8.1451   67.686   10.396   54.640   13.107   99.384   7.7194   88.801   10.892 10.58262 13.34975 
1 1 1  -34   10   34 o  189.620   5.3977  246.143   12.975  245.669   15.776  247.133   22.811  189.716   6.1362  189.523   8.8819 0.1932220 10.79547 
1 1 1  -34   10   35 o  154.291   6.4266  162.639   13.437  162.639   13.437   0.0000   0.0000  154.291   6.4266  ?   ?       ?      ? 
1 1 1  -34   10   36 o  109.679   6.2029   82.224   8.9041   80.603   11.176   85.041   14.733  108.422   7.6066  110.935   9.8001 -2.513313 12.40575 
1 1 1  -34   10   37 o  173.484   5.9440  206.137   13.851  200.779   18.309  213.307   21.181  171.009   7.9007  175.959   8.8829 -4.950165 11.88806 
1 1 1  -34   10   38 o  111.447   7.8795   86.022   11.637   88.502   18.604   84.428   14.915  112.465   12.207  110.430   9.9669 2.034737 15.75902 
1 1 1  -34   10   39 o  150.686   7.2215  161.342   14.351  134.022   21.677  182.662   19.149  138.566   11.544  162.807   8.6795 -24.24194 14.44305 
1 1 1  -34   10   40 o   68.334   8.2230   34.682   7.0564   27.158   11.167   39.685   9.1048   60.830   13.856   75.837   8.8594 -15.00639 16.44606 
1 1 1  -34   10   41 o   99.476   5.9470   67.084   7.9443   76.930   12.281   59.999   10.417  105.615   8.5810   93.336   8.2361 12.27876 11.89399 
1 1 1  -34   10   42 f  112.377   5.6675   86.872   8.5484   87.511   13.035   86.390   11.323  112.617   8.5415  112.136   7.4516 0.4817886 11.33502 
1 1 1  -34   10   43 f   54.006   9.1681   20.620   6.5685   26.676   10.407   16.610   8.4684   60.339   13.103   47.673   12.827 12.66587 18.33612 
1 1 1  -34   10   44 o  142.829   6.4719  141.886   11.428  140.051   20.892  142.669   13.652  141.505   10.895  144.154   6.9885 -2.648758 12.94375 
1 1 1  -34   10   45 o  140.812   5.3071  137.708   10.014  126.283   14.925  147.062   13.504  135.257   8.1428  146.367   6.8084 -11.11044 10.61412 
1 1 1  -34   10   46 o  105.955   5.8805   76.840   8.3906   84.612   12.769   70.935   11.131  110.569   8.5221  101.340   8.1053 9.228584 11.76104 
1 1 1  -34   10   47 o  191.677   4.9920  252.489   12.928  256.232   19.095  249.322   17.566  192.885   7.3051  190.470   6.8057 2.414902 9.984078 
1 1 1  -34   10   48 o  102.014   8.9406   72.328   12.360   72.328   12.360   0.0000   0.0000  102.014   8.9406  ?   ?       ?      ? 
1 1 1  -34   10   49 o   81.690   6.9258   47.180   7.5720   42.124   11.203   51.431   10.274   77.375   10.685   86.006   8.8148 -8.630707 13.85161 
1 1 1  -34   10   50 o  180.751   6.3296  222.098   14.696  210.938   17.917  245.039   25.689  174.689   7.5685  186.813   10.147 -12.12424 12.65913 
1 1 1  -34   10   51 o  156.312   5.1949  169.267   10.949  164.142   16.167  173.609   14.881  153.949   7.7495  158.675   6.9205 -4.726120 10.38981 
1 1 1  -34   10   52 o  241.920   5.1232  405.525   16.749  375.299   23.851  434.936   23.527  232.792   7.5605  251.049   6.9156 -18.25778 10.24630 
1 1 1  -34   10   53 f  123.452   6.4501  106.467   10.593  105.285   13.709  108.219   16.688  122.980   8.2259  123.925   9.9373 -0.9448547 12.90017 
1 1 1  -34   10   54 o  193.281   6.0416  264.047   15.399  276.135   19.925  246.113   24.268  199.587   7.3667  186.976   9.5779 12.61150 12.08325 
1 1 1  -34   10   55 o   60.938   9.9146   28.609   8.0084   31.350   10.762   25.209   11.988   64.798   12.710   57.078   15.220 7.719746 19.82928 
1 1 1  -34   10   56 o  131.752   6.1707  117.434   10.794  100.570   13.690  145.144   17.548  119.852   8.4291  143.651   9.0145 -23.79901 12.34147 
1 1 1  -34   10   57 o   37.275   9.9733   8.0615   6.8843   5.9714   9.1329   10.812   10.477   34.228   13.452   40.323   14.728 -6.094799 19.94661 
1 1 1  -34   10   58 o   64.663   10.508   33.243   9.0311   27.208   13.619   37.980   12.066   58.363   16.491   70.963   13.027 -12.60052 21.01512 
1 1 1  -34   10   59 o   27.964   9.0044  -4.5781   7.4826  -6.6072   11.392  -3.0387   9.9231   28.006   12.915   27.921   12.551 0.8566284E-01 18.00878 
1 1 1  -34   10   60 o   44.459   9.7272   13.024   7.0292   4.4901   9.2523   24.674   10.810   32.722   13.307   56.196   14.192 -23.47430 19.45445 
1 1 1  -34   10   61 o   81.060   9.2306   49.489   9.8280   49.196   14.807   49.720   13.140   79.766   14.219   82.355   11.774 -2.588646 18.46115 
1 1 1  -34   10   63 o   32.922   14.594  -0.7663   12.936  -0.7663   12.936   0.0000   0.0000   32.922   14.594  ?   ?       ?      ? 
1 1 1  -34   10   64 o   83.423   13.662   52.980   15.444   52.980   15.444   0.0000   0.0000   83.423   13.662  ?   ?       ?      ? 
1 1 1  -34   10   65 o   83.204   9.1218   51.835   10.227   56.212   15.493   48.455   13.614   86.031   13.289   80.377   12.499 5.653969 18.24354 
1 1 1  -34   10   66 o   43.059   11.258   13.651   8.6710   12.796   13.268   14.288   11.456   42.715   16.371   43.403   15.459 -0.6887436 22.51624 
1 1 1  -34   10   67 o   57.616   11.281   26.856   9.1035   34.244   14.064   21.529   11.943   64.087   16.189   51.144   15.714 12.94284 22.56148 
1 1 1  -34   10   68 o   32.093   9.8829   0.8739   8.0056   4.2657   12.204  -1.6878   10.606   34.984   14.835   29.201   13.062 5.782906 19.76584 
1 1 1  -34   10   69 o   69.795   10.974   40.228   10.049   39.717   15.232   40.622   13.372   68.491   16.587   71.099   14.372 -2.608345 21.94781 
1 1 1  -34   10   70 o   46.230   10.770   16.568   8.9045   3.5945   13.283   27.155   12.000   35.325   15.238   57.135   15.224 -21.80964 21.53979 
1 1 1  -34   10   71 o   86.048   12.372   56.566   14.426   0.0000   0.0000   56.566   14.426  ?   ?    86.048   12.372      ?      ? 
1 1 1  -34   10   72 o   62.198   15.422   32.618   12.934   0.0000   0.0000   32.618   12.934  ?   ?    62.198   15.422      ?      ? 
1 1 1  -34   10   73 f   82.683   13.193   53.659   14.782   0.0000   0.0000   53.659   14.782  ?   ?    82.683   13.193      ?      ? 
1 1 1  -34   10   74 o   57.236   16.394   29.002   13.366   0.0000   0.0000   29.002   13.366  ?   ?    57.236   16.394      ?      ? 
1 1 1  -34   10   75 f   52.626   16.724   25.067   13.410   0.0000   0.0000   25.067   13.410  ?   ?    52.626   16.724      ?      ? 
1 1 1  -34   11    1 o   75.509   9.4970   39.467   9.7178   39.467   9.7178   0.0000   0.0000   75.509   9.4970  ?   ?       ?      ? 
1 1 1  -34   11    2 o  141.596   5.0440  137.385   9.6673  128.493   13.502  146.739   13.848  136.863   7.2798  146.329   6.9836 -9.465851 10.08794 
1 1 1  -34   11    3 o  136.167   4.4670  126.697   7.8028  127.034   13.401  126.524   9.5974  136.105   7.2657  136.229   5.1988 -0.1245270 8.934094 
1 1 1  -34   11    4 o  157.762   4.4033  166.454   8.8659  159.650   10.750  180.922   15.676  153.039   5.1837  162.484   7.1192 -9.445435 8.806522 
1 1 1  -34   11    5 f   73.715   6.4365   37.652   6.2098   36.846   10.131   38.136   7.8594   72.902   10.254   74.527   7.7820 -1.624756 12.87300 
1 1 1  -34   11    6 f  250.853   5.0960  436.716   15.931  445.785   19.208  416.726   28.516  255.649   5.5443  246.056   8.5521 9.593231 10.19203 
1 1 1  -34   11    7 o  191.298   4.7332  247.586   11.532  242.448   14.017  258.349   20.286  188.557   5.4857  194.038   7.7148 -5.481003 9.466301 
1 1 1  -34   11    8 o  238.408   5.5311  387.596   17.870  387.596   17.870   0.0000   0.0000  238.408   5.5311  ?   ?       ?      ? 
1 1 1  -34   11    9 o  105.956   4.9744   77.933   6.9572   82.285   9.0335   71.587   10.907  109.781   6.0722  102.131   7.8809 7.650406 9.948850 
1 1 1  -34   11   10 o  343.125   5.8330  795.024   24.401  777.584   28.663  840.944   46.511  337.405   6.2688  348.845   9.8387 -11.43961 11.66609 
1 1 1  -34   11   11 o  157.895   4.9449  175.176   10.063  187.419   12.701  154.522   16.496  165.777   5.6535  150.013   8.1146 15.76329 9.889852 
1 1 1  -34   11   12 o  213.021   5.0116  313.182   13.573  318.332   16.626  302.891   23.503  216.051   5.6788  209.990   8.2592 6.060593 10.02314 
1 1 1  -34   11   13 o  293.792   5.4486  581.802   19.830  567.595   23.533  616.591   36.824  288.384   6.0218  299.201   9.0822 -10.81702 10.89716 
1 1 1  -34   11   14 f  237.715   5.0973  381.941   15.309  373.516   18.466  400.456   27.376  234.000   5.8234  241.430   8.3676 -7.430298 10.19460 
1 1 1  -34   11   15 o  126.081   5.7973  108.935   9.8947  115.708   14.338  102.775   13.673  129.826   8.1495  122.336   8.2473 7.489891 11.59450 
1 1 1  -34   11   16 o   91.720   5.7329   58.361   7.0102   61.853   9.2994   53.764   10.669   95.054   7.2193   88.385   8.9076 6.668938 11.46580 
1 1 1  -34   11   17 o   58.079   7.5597   24.347   5.6829   13.030   7.8265   36.968   8.2651   42.794   12.629   73.365   8.3134 -30.57071 15.11947 
1 1 1  -34   11   18 o   96.099   5.6040   60.637   7.1252   46.512   9.1195   82.774   11.416   82.309   8.1760  109.889   7.6663 -27.58012 11.20794 
1 1 1  -34   11   19 f  130.938   5.2161  116.896   8.9340  115.425   11.222  119.441   14.765  129.997   6.3700  131.880   8.2615 -1.883057 10.43214 
1 1 1  -34   11   20 o  226.076   5.8597  348.679   17.952  348.679   17.952   0.0000   0.0000  226.076   5.8597  ?   ?       ?      ? 
1 1 1  -34   11   21 o  296.157   6.1284  598.762   24.595  598.762   24.595   0.0000   0.0000  296.157   6.1284  ?   ?       ?      ? 
1 1 1  -34   11   22 o  211.692   5.1914  304.853   13.891  301.186   16.802  312.771   24.691  210.097   5.9013  213.286   8.5426 -3.189072 10.38275 
1 1 1  -34   11   23 o  162.486   5.2970  184.403   11.004  192.186   13.652  169.971   18.591  167.802   6.0039  157.171   8.7285 10.63145 10.59401 
1 1 1  -34   11   24 o  334.490   5.9910  773.881   24.635  780.488   29.319  758.014   45.433  337.976   6.4016  331.004   10.129 6.972504 11.98208 
1 1 1  -34   11   25 o  107.324   5.6737   76.510   8.0697   67.528   10.195   91.580   13.205   99.240   7.5807  115.407   8.4436 -16.16634 11.34731 
1 1 1  -34   11   26 o  232.271   5.2975  367.912   15.503  364.586   18.715  375.186   27.677  231.100   5.9758  233.442   8.7489 -2.342712 10.59499 
1 1 1  -34   11   27 o  191.236   5.2984  255.189   12.904  264.548   15.924  237.286   22.024  196.848   5.9694  185.625   8.7555 11.22290 10.59683 
1 1 1  -34   11   28 o  260.301   5.8742  461.122   20.252  444.000   25.816  488.517   32.655  254.444   7.4871  266.157   9.0537 -11.71344 11.74839 
1 1 1  -34   11   29 o   70.648   10.882   34.350   9.1943   42.590   17.960   31.424   10.703   75.292   17.870   66.003   12.422 9.289040 21.76378 
1 1 1  -34   11   30 o  152.136   5.8294  159.476   11.938  161.578   16.052  156.874   17.859  153.400   7.7219  150.872   8.7350 2.527863 11.65878 
1 1 1  -34   11   31 o  142.717   5.8168  138.945   11.181  129.855   14.850  150.844   16.990  137.439   7.9733  147.995   8.4715 -10.55510 11.63357 
1 1 1  -34   11   32 o  133.807   5.9310  122.679   10.715  116.301   14.421  130.538   16.009  129.997   8.1863  137.618   8.5845 -7.621399 11.86209 
1 1 1  -34   11   33 o   84.868   6.9507   52.023   7.6211   59.845   9.9357   40.843   11.878   93.292   7.8590   76.444   11.467 16.84856 13.90142 
1 1 1  -34   11   34 o   72.924   15.876   39.550   15.244   39.550   15.244   0.0000   0.0000   72.924   15.876  ?   ?       ?      ? 
1 1 1  -34   11   35 o  175.064   6.2113  209.676   14.735  209.676   14.735   0.0000   0.0000  175.064   6.2113  ?   ?       ?      ? 
1 1 1  -34   11   36 o  121.698   5.7099  100.665   9.0203   97.368   11.167  106.854   15.300  119.139   6.9170  124.256   9.0866 -5.117470 11.41973 
1 1 1  -34   11   37 o  144.501   5.8005  151.631   10.513  168.483   13.112  121.301   17.591  156.895   6.1672  132.108   9.8259 24.78630 11.60100 
1 1 1  -34   11   38 o  204.111   5.4397  288.883   13.991  292.501   16.990  281.260   24.662  206.729   6.0646  201.492   9.0322 5.236893 10.87932 
1 1 1  -34   11   39 o  157.583   5.4961  170.981   11.053  170.663   13.527  171.619   19.169  157.812   6.3255  157.354   8.9898 0.4576874 10.99217 
1 1 1  -34   11   40 o  155.544   5.5841  170.454   11.078  178.274   13.732  155.883   18.745  161.274   6.2835  149.815   9.2330 11.45918 11.16827 
1 1 1  -34   11   41 o  109.651   6.2743   86.571   8.8304   95.661   11.238   71.902   14.277  117.938   7.0315  101.363   10.394 16.57441 12.54861 
1 1 1  -34   11   42 o  171.410   5.7599  202.159   13.160  197.399   17.046  209.180   20.703  169.220   7.4336  173.601   8.8004 -4.381287 11.51980 
1 1 1  -34   11   43 o   79.560   8.0216   41.228   7.9301   53.729   15.218   36.568   9.2914   86.708   12.951   72.412   9.4687 14.29588 16.04325 
1 1 1  -34   11   44 o  163.646   6.2877  185.656   12.686  187.888   23.437  184.731   15.088  163.451   10.581  163.841   6.7955 -0.3896179 12.57545 
1 1 1  -34   11   45 o  201.909   4.9983  279.885   13.623  294.272   20.356  268.212   18.335  206.486   7.2746  197.333   6.8565 9.153214 9.996610 
1 1 1  -34   11   46 o   55.684   8.8638   23.407   6.6121   18.165   10.280   27.107   8.6356   49.305   14.452   62.064   10.268 -12.75901 17.72770 
1 1 1  -34   11   47 o  100.671   5.9711   71.109   8.0481   66.058   12.084   75.136   10.790   97.191   9.1746  104.151   7.6446 -6.959595 11.94214 
1 1 1  -34   11   48 o  130.702   5.3752  118.912   9.4521  113.483   14.038  123.414   12.784  127.760   8.1081  133.645   7.0591 -5.885040 10.75046 
1 1 1  -34   11   49 f   69.994   11.106   34.889   10.534   34.889   10.534   0.0000   0.0000   69.994   11.106  ?   ?       ?      ? 
1 1 1  -34   11   50 o  102.711   6.9454   75.814   9.4256   82.535   12.426   66.708   14.464  108.710   8.4349   96.712   11.037 11.99796 13.89085 
1 1 1  -34   11   51 o  113.517   6.9042   95.131   10.097  113.047   13.346   71.144   15.442  127.463   7.7265   99.571   11.444 27.89226 13.80847 
1 1 1  -34   11   52 o   71.550   8.8389   39.686   7.9758   48.013   10.532   28.492   12.212   82.471   9.4241   60.629   14.956 21.84272 17.67790 
1 1 1  -34   11   53 o   61.086   9.2467   28.460   7.4632   31.312   9.7870   24.497   11.537   66.064   10.932   56.107   14.916 9.956867 18.49335 
1 1 1  -34   11   54 o  140.423   6.1487  140.092   11.371  144.906   14.636  132.759   18.062  144.174   7.4912  136.672   9.7524 7.501480 12.29746 
1 1 1  -34   11   55 o   84.467   7.3409   50.369   8.2806   46.830   10.694   55.669   13.086   81.099   9.7303   87.836   10.994 -6.737175 14.68173 
1 1 1  -34   11   56 o   85.569   8.0979   55.754   8.7022   66.002   11.572   42.417   13.201   96.606   8.8396   74.531   13.571 22.07562 16.19582 
1 1 1  -34   11   57 f   66.869   10.737   35.457   9.3279   34.891   15.002   35.813   11.910   65.375   16.833   68.363   13.335 -2.987747 21.47477 
1 1 1  -34   11   58 o   66.847   13.597   34.542   11.898   0.0000   0.0000   34.542   11.898  ?   ?    66.847   13.597      ?      ? 
1 1 1  -34   11   59 o   71.932   9.9988   40.169   9.3760   38.854   14.666   41.077   12.193   69.330   15.943   74.533   12.072 -5.202530 19.99764 
1 1 1  -34   11   60 o   44.788   11.095   15.147   8.2165   15.783   12.908   14.715   10.653   45.644   16.394   43.932   14.954 1.712261 22.18932 
1 1 1  -34   11   61 o   85.826   9.2335   57.031   10.181   49.523   15.462   62.778   13.527   78.925   15.005   92.727   10.765 -13.80164 18.46696 
1 1 1  -34   11   62 o   87.051   9.5127   60.399   10.372   43.061   15.356   74.941   14.064   72.530   16.049  101.571   10.218 -29.04082 19.02534 
1 1 1  -34   11   63 o   46.813   16.520   17.352   13.052   17.352   13.052   0.0000   0.0000   46.813   16.520  ?   ?       ?      ? 
1 1 1  -34   11   64 o   63.801   10.874   34.267   9.5158   24.405   14.006   42.722   12.969   53.692   17.095   73.909   13.444 -20.21764 21.74754 
1 1 1  -34   11   65 o   41.811   10.809   12.247   8.5968   3.3253   12.920   19.336   11.516   35.008   15.065   48.615   15.503 -13.60741 21.61717 
1 1 1  -34   11   66 o   61.682   11.532   31.523   9.7290   37.938   15.015   26.881   12.773   66.843   16.641   56.522   15.970 10.32100 23.06428 
1 1 1  -34   11   67 o   45.845   11.175   16.424   8.9935   7.8057   13.013   24.304   12.443   38.044   15.661   53.646   15.947 -15.60221 22.35098 
1 1 1  -34   11   68 o   74.303   10.755   47.260   10.625   29.850   15.590   62.362   14.519   57.770   17.987   90.837   11.795 -33.06689 21.50987 
1 1 1  -34   11   69 o   40.865   16.174   11.589   13.290   0.0000   0.0000   11.589   13.290  ?   ?    40.865   16.174      ?      ? 
1 1 1  -34   11   73 o   78.519   15.552   53.095   15.963   0.0000   0.0000   53.095   15.963  ?   ?    78.519   15.552      ?      ? 
1 1 1  -34   11   74 o   45.806   16.772   18.855   13.600   0.0000   0.0000   18.855   13.600  ?   ?    45.806   16.772      ?      ? 
1 1 1  -34   12    1 o   95.319   11.792   64.186   15.231   64.186   15.231   0.0000   0.0000   95.319   11.792  ?   ?       ?      ? 
1 1 1  -34   12    2 o   59.885   15.947   27.067   13.172   27.067   13.172   0.0000   0.0000   59.885   15.947  ?   ?       ?      ? 
1 1 1  -34   12    3 o  157.814   10.112  173.816   21.625  173.816   21.625   0.0000   0.0000  157.814   10.112  ?   ?       ?      ? 
1 1 1  -34   12    4 o  113.564   4.6427   88.736   7.0380   90.098   9.2346   86.849   10.871  114.733   5.9394  112.395   7.1373 2.338387 9.285334 
1 1 1  -34   12    5 o  171.815   6.2662  203.187   14.061  209.253   23.349  199.735   17.613  173.333   9.9403  170.297   7.6322 3.036392 12.53237 
1 1 1  -34   12    6 o  115.868   5.0254   93.478   7.7710  102.042   10.456   82.911   11.615  122.044   6.3222  109.693   7.8135 12.35095 10.05090 
1 1 1  -34   12    7 o   69.768   5.8092   33.589   5.4923   33.384   7.7489   33.797   7.7856   69.553   8.2214   69.983   8.2095 -0.4306717 11.61839 
1 1 1  -34   12    8 o  202.105   6.4416  279.860   17.642  279.860   17.642   0.0000   0.0000  202.105   6.4416  ?   ?       ?      ? 
1 1 1  -34   12    9 o  104.705   7.0784   75.274   10.043   75.274   10.043   0.0000   0.0000  104.705   7.0784  ?   ?       ?      ? 
1 1 1  -34   12   10 o  202.792   5.1993  283.875   14.028  289.648   18.298  275.645   21.849  205.592   6.5678  199.992   8.0619 5.599701 10.39856 
1 1 1  -34   12   11 o   43.104   8.3843   13.591   5.0169   12.174   7.9557   14.527   6.4643   41.445   12.841   44.763   10.784 -3.318405 16.76851 
1 1 1  -34   12   12 o  158.532   5.1434  172.724   10.950  173.419   14.562  171.818   16.610  159.046   6.7566  158.017   7.7568 1.029022 10.28689 
1 1 1  -34   12   13 o   85.088   5.9941   49.860   6.9043   52.331   10.044   47.646   9.5065   87.076   8.5118   83.099   8.4419 3.977066 11.98822 
1 1 1  -34   12   14 o  111.262   5.5044   85.179   8.2953   85.243   11.556   85.111   11.915  111.332   7.6595  111.192   7.9074 0.1402206 11.00881 
1 1 1  -34   12   15 o   42.306   10.196   12.225   6.3283   7.2809   14.271   13.435   7.0604   41.543   16.656   43.068   11.764 -1.525246 20.39171 
1 1 1  -34   12   16 o   58.791   7.8291   24.133   6.0534   31.784   9.1563   18.193   8.0681   67.637   9.9897   49.944   12.058 17.69320 15.65828 
1 1 1  -34   12   17 o  135.755   5.3184  126.138   9.7497  120.746   13.145  132.731   14.536  132.596   7.3158  138.914   7.7215 -6.318878 10.63684 
1 1 1  -34   12   18 o   42.337   9.1230   12.518   5.6633   14.786   8.7391   10.876   7.4361   45.247   13.342   39.427   12.446 5.819954 18.24600 
1 1 1  -34   12   19 o   33.213   8.7263   3.5566   5.6035   12.128   8.8584  -2.1611   7.2350   41.820   13.622   24.606   10.910 17.21431 17.45263 
1 1 1  -34   12   20 o  109.296   6.7447   81.881   9.9896   81.881   9.9896   0.0000   0.0000  109.296   6.7447  ?   ?       ?      ? 
1 1 1  -34   12   21 o   71.811   6.5360   35.180   6.3111   31.388   8.3232   40.310   9.6802   67.346   9.1201   76.277   9.3650 -8.930763 13.07208 
1 1 1  -34   12   22 o  160.364   4.9944  174.968   10.372  171.394   12.835  181.691   17.605  158.314   5.9828  162.415   7.9989 -4.100784 9.988780 
1 1 1  -34   12   23 o   47.701   8.5890   16.916   5.8529   23.428   8.0169   9.4830   8.5648   57.085   10.758   38.317   13.392 18.76781 17.17801 
1 1 1  -34   12   24 o  197.849   5.1585  270.581   12.998  273.867   15.932  264.040   22.477  200.137   5.8742  195.561   8.4814 4.576324 10.31697 
1 1 1  -34   12   25 o   80.481   6.3076   44.642   6.8074   43.632   8.9585   46.021   10.472   79.518   8.3136   81.443   9.4882 -1.925064 12.61511 
1 1 1  -34   12   26 o  203.258   5.1745  283.676   13.358  283.126   16.273  284.812   23.392  203.462   5.9020  203.053   8.5010 0.4084015 10.34899 
1 1 1  -34   12   27 o   65.155   8.1091   32.798   6.6051   44.236   8.8715   18.573   9.8938   80.071   8.1760   50.238   14.007 29.83311 16.21829 
1 1 1  -34   12   28 o  109.451   6.2274   82.698   9.2146   75.126   12.710   91.086   13.379  104.131   9.0071  114.771   8.6019 -10.63965 12.45473 
1 1 1  -34   12   29 o  159.664   8.5010  176.257   18.393   0.0000   0.0000  176.257   18.393  ?   ?   159.664   8.5010      ?      ? 
1 1 1  -34   12   30 f  110.739   7.5553   89.604   10.765   69.853   16.860  103.197   13.987   99.316   12.528  122.163   8.4491 -22.84705 15.11052 
1 1 1  -34   12   31 o  164.292   5.2694  186.397   11.064  187.494   13.588  184.239   19.060  165.458   6.0602  163.126   8.6222 2.331909 10.53888 
1 1 1  -34   12   32 o   48.166   9.2521   16.973   6.1512   16.237   8.1502   17.947   9.3764   47.023   12.554   49.310   13.594 -2.286903 18.50419 
1 1 1  -34   12   33 o  100.234   5.9240   68.568   7.7935   65.778   9.7804   73.422   12.899   97.715   7.3860  102.753   9.2639 -5.038086 11.84792 
1 1 1  -34   12   34 o   88.632   7.7844   54.241   9.3497   54.241   9.3497   0.0000   0.0000   88.632   7.7844  ?   ?       ?      ? 
1 1 1  -34   12   35 o   99.851   6.0158   68.567   7.8584   67.004   9.8538   71.299   13.025   98.583   7.3760  101.120   9.5055 -2.536880 12.03161 
1 1 1  -34   12   36 o   59.093   8.3937   24.713   6.3800   21.223   8.1441   30.257   10.265   53.863   11.507   64.323   12.223 -10.46037 16.78747 
1 1 1  -34   12   37 o   45.235   9.1836   15.530   6.2058   19.944   7.9797   8.7758   9.8716   52.132   11.595   38.336   14.245 13.79602 18.36729 
1 1 1  -34   12   38 o   89.105   6.4716   54.113   7.5461   50.767   9.3926   60.206   12.673   85.584   8.0987   92.627   10.096 -7.043617 12.94313 
1 1 1  -34   12   39 o   94.437   6.2306   61.359   7.7477   59.009   9.7785   65.323   12.699   92.311   7.8169   96.563   9.7044 -4.252068 12.46112 
1 1 1  -34   12   40 o   65.307   7.8662   29.330   6.6698   22.715   8.5317   39.728   10.696   55.568   11.700   75.046   10.518 -19.47743 15.73231 
1 1 1  -34   12   41 o  150.962   5.4727  158.896   10.567  160.906   13.017  155.010   18.097  152.950   6.2803  148.974   8.9644 3.975281 10.94545 
1 1 1  -34   12   42 o   46.518   10.135   16.008   7.1217   12.618   10.211   19.219   9.9379   42.544   14.636   50.492   14.024 -7.948025 20.27039 
1 1 1  -34   12   43 o   61.618   10.717   28.706   8.7092   31.213   14.061   27.145   11.093   63.347   16.289   59.888   13.931 3.459263 21.43395 
1 1 1  -34   12   44 o   80.736   7.5294   46.500   8.1883   48.914   11.197   43.724   12.005   83.242   9.9259   78.230   11.324 5.011757 15.05871 
1 1 1  -34   12   45 o   90.827   7.1190   58.782   8.6906   62.974   11.872   53.943   12.756   94.639   9.2572   87.015   10.818 7.623802 14.23799 
1 1 1  -34   12   46 f   72.241   8.6970   40.382   7.8944   53.240   10.778   25.500   11.595   87.000   9.1421   57.482   14.798 29.51791 17.39406 
1 1 1  -34   12   47 o  112.451   6.5544   89.341   9.8093   90.166   12.778   88.157   15.307  113.518   8.3062  111.385   10.141 2.132744 13.10873 
1 1 1  -34   12   48 o  119.014   8.0555   99.036   12.992   99.036   12.992   0.0000   0.0000  119.014   8.0555  ?   ?       ?      ? 
1 1 1  -34   12   49 o   95.122   7.0698   61.905   8.9197   52.176   11.294   78.035   14.542   85.706   9.7240  104.539   10.265 -18.83346 14.13958 
1 1 1  -34   12   50 o  102.372   6.6865   73.448   9.1317   69.327   11.786   79.637   14.444   99.148   8.7720  105.596   10.094 -6.447777 13.37301 
1 1 1  -34   12   51 o   69.933   8.5114   34.298   7.6463   23.457   9.7533   51.587   12.317   55.257   13.205   84.609   10.742 -29.35214 17.02286 
1 1 1  -34   12   52 o   82.689   7.4137   48.454   8.2101   44.379   10.671   54.367   12.853   78.715   10.004   86.664   10.944 -7.948845 14.82736 
1 1 1  -34   12   53 o  126.187   7.4212  116.040   12.511  105.706   18.741  124.349   16.803  120.297   11.496  132.077   9.3881 -11.77969 14.84236 
1 1 1  -34   12   54 o   71.370   9.7663   37.297   9.1244   50.078   14.729   29.337   11.623   81.669   13.309   61.072   14.297 20.59703 19.53261 
1 1 1  -34   12   55 o   37.877   10.454   7.5136   7.6742   13.269   12.336   3.8802   9.8018   43.128   15.944   32.625   13.526 10.50343 20.90843 
1 1 1  -34   12   56 f   65.343   13.019   32.925   11.123   0.0000   0.0000   32.925   11.123  ?   ?    65.343   13.019      ?      ? 
1 1 1  -34   12   57 o  102.183   10.380   75.846   14.374   0.0000   0.0000   75.846   14.374  ?   ?   102.183   10.380      ?      ? 
1 1 1  -34   12   58 o   46.817   11.172   16.015   8.4288   24.392   13.453   10.603   10.815   54.150   16.685   39.484   14.862 14.66576 22.34438 
1 1 1  -34   12   59 o   67.208   10.655   37.065   9.3892   32.998   14.540   39.973   12.297   62.622   16.790   71.794   13.123 -9.171558 21.31000 
1 1 1  -34   12   60 o   74.965   10.133   45.112   9.8962   38.373   14.924   50.401   13.221   67.794   16.419   82.136   11.878 -14.34192 20.26505 
1 1 1  -34   12   61 o   55.713   10.900   26.453   8.9582   16.848   13.590   33.833   11.913   46.216   16.790   65.211   13.905 -18.99431 21.80021 
1 1 1  -34   12   62 o   50.247   16.808   21.156   13.457   21.156   13.457   0.0000   0.0000   50.247   16.808  ?   ?       ?      ? 
1 1 1  -34   12   63 o   36.984   10.709   7.2948   8.4938   5.9866   13.243   8.2091   11.071   36.961   15.551   37.007   14.726 -0.4549408E-01 21.41712 
1 1 1  -34   12   64 o   50.469   10.101   20.434   8.8961   1.2699   13.316   35.880   11.955   33.869   14.920   67.070   13.619 -33.20095 20.20099 
1 1 1  -34   12   65 o   30.748   9.7105  -1.0134   8.2022   0.9557   12.323  -2.5799   10.991   32.575   14.351   28.922   13.085 3.652515 19.42103 
1 1 1  -34   12   66 f   44.660   11.504   16.141   9.1695   12.396   13.689   19.189   12.349   41.644   16.437   47.676   16.101 -6.032513 23.00876 
1 1 1  -34   12   67 o   60.313   11.135   31.635   10.105   15.869   14.273   47.478   14.308   44.472   16.995   76.154   14.392 -31.68240 22.26960 
1 1 1  -34   12   68 o   43.783   11.574   15.592   9.3046   13.129   13.392   17.891   12.937   41.690   16.318   45.876   16.419 -4.185997 23.14871 
1 1 1  -34   12   69 o   63.692   16.226   35.813   14.044   0.0000   0.0000   35.813   14.044  ?   ?    63.692   16.226      ?      ? 
1 1 1  -34   12   70 o   41.281   16.324   13.229   13.525   0.0000   0.0000   13.229   13.525  ?   ?    41.281   16.324      ?      ? 
1 1 1  -34   12   71 o   52.604   16.875   25.824   13.629   0.0000   0.0000   25.824   13.629  ?   ?    52.604   16.875      ?      ? 
1 1 1  -34   12   72 o   47.462   17.299   21.300   14.443   0.0000   0.0000   21.300   14.443  ?   ?    47.462   17.299      ?      ? 
1 1 1  -34   12   73 o   62.973   16.967   37.809   14.806   0.0000   0.0000   37.809   14.806  ?   ?    62.973   16.967      ?      ? 
1 1 1  -34   13    1 o  117.895   7.7019   96.380   12.305   96.380   12.305   0.0000   0.0000  117.895   7.7019  ?   ?       ?      ? 
1 1 1  -34   13    2 o  149.383   7.2656  154.285   14.708  154.285   14.708   0.0000   0.0000  149.383   7.2656  ?   ?       ?      ? 
1 1 1  -34   13    3 o  147.049   7.3403  149.505   14.627  149.505   14.627   0.0000   0.0000  147.049   7.3403  ?   ?       ?      ? 
1 1 1  -34   13    4 o   59.764   5.1764   24.592   4.1287   24.164   5.3710   25.210   6.4550   59.227   6.6920   60.302   7.8992 -1.075115 10.35277 
1 1 1  -34   13    5 o   69.777   6.5157   33.664   6.0081   35.595   9.7379   32.477   7.6344   71.165   10.097   68.389   8.2377 2.776573 13.03144 
1 1 1  -34   13    6 o  117.257   4.6286   94.981   7.0260   95.934   8.7591   93.262   11.766  118.356   5.4612  116.159   7.4746 2.197205 9.257109 
1 1 1  -34   13    7 o  134.082   4.6447  122.252   8.0629  118.959   9.9622  128.507   13.728  131.776   5.5787  136.388   7.4278 -4.612167 9.289487 
1 1 1  -34   13    8 o   79.250   6.8816   43.260   7.3904   43.260   7.3904   0.0000   0.0000   79.250   6.8816  ?   ?       ?      ? 
1 1 1  -34   13    9 o  104.586   4.9564   73.485   6.8097   68.164   8.5080   82.970   11.359   99.617   6.3025  109.554   7.6513 -9.936836 9.912816 
1 1 1  -34   13   10 o  127.843   4.7284  108.941   7.9217   99.653   9.8418  126.028   13.349  120.527   6.0257  135.158   7.2884 -14.63049 9.456747 
1 1 1  -34   13   11 f  128.868   4.9003  115.988   8.2510  121.113   10.512  107.761   13.317  132.930   5.8353  124.805   7.8741 8.125412 9.800620 
1 1 1  -34   13   12 o  180.321   4.8124  218.643   11.152  208.305   13.604  239.819   19.470  174.366   5.7575  186.276   7.7129 -11.91008 9.624859 
1 1 1  -34   13   13 o  177.151   4.8044  211.279   10.955  201.663   13.392  230.727   19.045  171.569   5.7600  182.732   7.6910 -11.16348 9.608811 
1 1 1  -34   13   14 o  110.401   5.1296   84.885   7.4627   88.032   9.6105   80.105   11.844  113.247   6.2623  107.555   8.1261 5.692291 10.25915 
1 1 1  -34   13   15 o   62.380   7.8950   28.600   6.3008   24.701   9.9126   31.243   8.1618   57.747   12.983   67.013   8.9877 -9.266090 15.79002 
1 1 1  -34   13   16 o  164.372   4.8749  183.107   10.359  176.753   12.756  195.413   17.753  160.602   5.8612  168.143   7.7914 -7.540985 9.749838 
1 1 1  -34   13   17 o  119.878   5.1424   98.789   8.1613   97.742   10.458  100.419   13.053  119.283   6.4695  120.472   7.9952 -1.189224 10.28482 
1 1 1  -34   13   18 o  160.718   4.9897  179.287   10.346  182.625   12.879  173.212   17.374  163.260   5.8212  158.176   8.1056 5.084824 9.979367 
1 1 1  -34   13   19 o   63.612   9.2149   28.190   7.9435   28.190   7.9435   0.0000   0.0000   63.612   9.2149  ?   ?       ?      ? 
1 1 1  -34   13   20 o  107.343   6.7536   79.260   9.8241   79.260   9.8241   0.0000   0.0000  107.343   6.7536  ?   ?       ?      ? 
1 1 1  -34   13   21 o  175.533   5.1355  215.647   11.550  222.916   14.331  202.177   19.508  180.347   5.8640  170.719   8.4325 9.628342 10.27101 
1 1 1  -34   13   22 o  177.587   5.0160  209.983   11.451  195.460   13.918  240.412   20.146  168.796   6.0844  186.379   7.9763 -17.58359 10.03200 
1 1 1  -34   13   23 f  141.607   5.0846  134.694   9.3986  125.764   11.645  151.383   15.919  135.316   6.3503  147.898   7.9428 -12.58141 10.16928 
1 1 1  -34   13   24 o  122.814   5.5779  108.453   8.8255  121.365   11.332   88.549   14.070  132.937   6.2904  112.692   9.2132 20.24533 11.15585 
1 1 1  -34   13   25 o   78.595   9.0612   48.814   8.3824   34.596   14.408   56.088   10.306   67.315   16.025   89.876   8.4620 -22.56096 18.12235 
1 1 1  -34   13   26 o   65.616   7.2461   31.049   6.1886   34.782   8.4506   26.730   9.0881   70.691   8.8215   60.540   11.498 10.15081 14.49228 
1 1 1  -34   13   27 o  139.953   5.7761  136.369   10.910  146.542   15.197  125.550   15.672  145.538   7.7056  134.369   8.6067 11.16934 11.55215 
1 1 1  -34   13   28 o  111.352   6.1678   86.271   9.3045   84.438   12.972   88.214   13.353  110.145   8.6906  112.559   8.7545 -2.413605 12.33565 
1 1 1  -34   13   29 o   64.204   7.7682   30.319   6.4139   34.009   8.5033   25.449   9.7690   69.823   8.9868   58.585   12.673 11.23864 15.53639 
1 1 1  -34   13   30 o   59.170   8.1112   26.788   6.2342   35.722   8.4678   16.213   9.2120   71.602   8.7269   46.738   13.675 24.86378 16.22240 
1 1 1  -34   13   31 o  141.056   5.1101  130.906   9.3959  115.169   11.540  161.853   16.183  129.315   6.5854  152.797   7.8157 -23.48128 10.22020 
1 1 1  -34   13   32 o  153.871   5.2672  164.067   10.449  164.548   12.945  163.169   17.701  154.701   6.1747  153.042   8.5350 1.658417 10.53438 
1 1 1  -34   13   33 f  131.965   6.4312  119.922   11.501  119.922   11.501   0.0000   0.0000  131.965   6.4312  ?   ?       ?      ? 
1 1 1  -34   13   34 o  116.017   5.5403   91.005   8.3902   84.832   10.395  102.545   14.213  110.828   6.9212  121.205   8.6531 -10.37718 11.08057 
1 1 1  -34   13   35 o  146.271   5.1544  138.839   9.7243  120.035   11.767  179.339   17.269  131.926   6.5820  160.617   7.9341 -28.69112 10.30886 
1 1 1  -34   13   36 o  104.453   6.4104   77.934   8.8867   89.486   12.103   64.420   13.090  113.444   7.8727   95.462   10.119 17.98270 12.82086 
1 1 1  -34   13   37 o  106.399   6.1901   78.114   8.8596   69.345   11.714   89.835   13.543   99.550   8.6834  113.249   8.8244 -13.69888 12.38023 
1 1 1  -34   13   38 o   77.386   8.2760   45.883   7.8720   62.894   10.916   27.450   11.363   94.833   8.4940   59.939   14.206 34.89366 16.55209 
1 1 1  -34   13   39 o  111.385   6.2294   85.022   9.2893   70.912   12.157  104.822   14.401  100.485   8.9275  122.284   8.6902 -21.79916 12.45871 
1 1 1  -34   13   40 o  100.149   6.5163   69.427   8.7642   59.607   11.563   82.683   13.435   91.947   9.2803  108.351   9.1500 -16.40405 13.03255 
1 1 1  -34   13   41 o   41.573   10.652   9.7221   7.6324   18.700   12.905   4.8921   9.4654   49.565   16.456   33.581   13.529 15.98374 21.30343 
1 1 1  -34   13   42 o   54.479   10.804   23.389   8.2586   21.319   13.050   24.772   10.666   52.233   16.488   56.726   13.968 -4.493519 21.60883 
1 1 1  -34   13   43 o   77.873   7.3858   41.957   7.6421   32.697   9.9075   55.560   12.008   67.455   10.838   88.290   10.036 -20.83537 14.77163 
1 1 1  -34   13   44 o   43.012   9.8951   13.814   6.6750   15.806   9.0178   11.400   9.9273   45.560   13.583   40.464   14.393 5.095940 19.79022 
1 1 1  -34   13   45 o   47.326   9.9073   16.620   6.8638   12.329   9.0764   22.353   10.490   41.086   13.804   53.566   14.215 -12.48066 19.81456 
1 1 1  -34   13   46 o   71.314   8.2646   36.643   7.7312   30.824   10.104   44.862   12.008   64.029   12.088   78.600   11.274 -14.57046 16.52919 
1 1 1  -34   13   47 o   83.454   9.5663   49.699   10.819   49.699   10.819   0.0000   0.0000   83.454   9.5663  ?   ?       ?      ? 
1 1 1  -34   13   48 o   68.626   10.166   37.019   9.2482   31.586   13.858   41.381   12.418   62.385   16.236   74.867   12.240 -12.48196 20.33254 
1 1 1  -34   13   49 o   75.159   9.8371   46.928   9.4053   25.175   14.017   64.741   12.685   55.366   17.026   94.953   9.8579 -39.58769 19.67413 
1 1 1  -34   13   50 f   26.942   8.7817  -5.3989   7.0921  -4.6175   11.917  -5.8274   8.8251   29.531   13.464   24.353   11.278 5.178881 17.56333 
1 1 1  -34   13   51 o   70.575   9.8259   35.302   9.0710   59.267   15.093   21.750   11.349   89.120   12.497   52.029   15.166 37.09155 19.65185 
1 1 1  -34   13   52 o   95.629   8.6161   70.114   10.708   56.840   16.455   79.865   14.103   86.064   14.109  105.194   9.8936 -19.13010 17.23211 
1 1 1  -34   13   53 o   47.748   11.275   17.852   8.3307   19.552   13.903   16.900   10.406   49.237   17.071   46.260   14.735 2.977329 22.55081 
1 1 1  -34   13   54 o   65.651   10.233   35.444   9.0635   25.041   13.694   43.554   12.091   54.681   16.831   76.622   11.645 -21.94040 20.46627 
1 1 1  -34   13   55 o   50.538   15.301   20.810   11.379   0.0000   0.0000   20.810   11.379  ?   ?    50.538   15.301      ?      ? 
1 1 1  -34   13   56 o   63.579   14.483   32.527   12.199   0.0000   0.0000   32.527   12.199  ?   ?    63.579   14.483      ?      ? 
1 1 1  -34   13   57 o  100.939   8.1841   76.281   11.076   73.535   16.682   78.446   14.811   98.545   12.492  103.332   10.577 -4.787422 16.36817 
1 1 1  -34   13   58 o   42.161   11.043   12.422   8.3517   18.044   13.035   8.5078   10.878   47.120   16.518   37.202   14.662 9.917442 22.08697 
1 1 1  -34   13   59 o   35.081   10.405   4.8992   8.2341   7.2239   12.794   3.2556   10.758   37.492   15.491   32.670   13.894 4.821964 20.80919 
1 1 1  -34   13   60 o   96.909   8.8368   72.393   11.413   60.342   16.403   83.704   15.891   87.825   13.782  105.992   11.064 -18.16705 17.67363 
1 1 1  -34   13   61 o   94.460   13.187   69.284   16.880   69.284   16.880   0.0000   0.0000   94.460   13.187  ?   ?       ?      ? 
1 1 1  -34   13   62 o   52.262   16.014   23.433   12.412   0.0000   0.0000   23.433   12.412  ?   ?    52.262   16.014      ?      ? 
1 1 1  -34   13   63 o   44.627   11.529   15.595   9.1542   21.579   13.790   10.880   12.240   49.699   17.013   39.556   15.565 10.14261 23.05873 
1 1 1  -34   13   64 o   42.729   11.341   14.538   8.9081   13.098   13.305   15.707   11.993   41.702   16.281   43.755   15.791 -2.052399 22.68134 
1 1 1  -34   13   65 o   63.859   10.733   35.492   9.9376   20.213   14.166   50.299   13.945   47.815   17.173   79.902   12.879 -32.08678 21.46593 
1 1 1  -34   13   66 o   60.714   11.460   33.584   10.181   21.485   14.658   44.863   14.152   48.585   17.467   72.842   14.841 -24.25690 22.92045 
1 1 1  -34   13   67 o   39.350   11.272   11.115   9.3470   10.764   13.588   11.430   12.878   39.245   16.062   39.454   15.821 -0.2086601 22.54492 
1 1 1  -34   13   68 o   26.506   12.553  -8.5510   12.016   0.0000   0.0000  -8.5510   12.016  ?   ?    26.506   12.553      ?      ? 
1 1 1  -34   13   69 o   21.577   10.678 -21.0557   11.593   0.0000   0.0000 -21.0557   11.593  ?   ?    21.577   10.678      ?      ? 
1 1 1  -34   13   70 o   54.421   17.294   29.241   14.340   0.0000   0.0000   29.241   14.340  ?   ?    54.421   17.294      ?      ? 
1 1 1  -34   13   71 o   22.655   11.134 -17.7863   11.871   0.0000   0.0000 -17.7863   11.871  ?   ?    22.655   11.134      ?      ? 
1 1 1  -34   13   72 o   49.766   17.460   25.850   14.565   0.0000   0.0000   25.850   14.565  ?   ?    49.766   17.460      ?      ? 
1 1 1  -34   14    1 o   80.449   9.2498   45.752   10.084   45.752   10.084   0.0000   0.0000   80.449   9.2498  ?   ?       ?      ? 
1 1 1  -34   14    2 o   97.256   8.1763   66.219   10.776   66.219   10.776   0.0000   0.0000   97.256   8.1763  ?   ?       ?      ? 
1 1 1  -34   14    3 o   96.458   8.3333   65.179   10.893   65.179   10.893   0.0000   0.0000   96.458   8.3333  ?   ?       ?      ? 
1 1 1  -34   14    4 o  101.139   8.2482   71.573   11.305   71.573   11.305   0.0000   0.0000  101.139   8.2482  ?   ?       ?      ? 
1 1 1  -34   14    5 o   56.638   12.274   24.043   9.1485   24.043   9.1485   0.0000   0.0000   56.638   12.274  ?   ?       ?      ? 
1 1 1  -34   14    6 o  105.222   8.3666   77.465   11.930   77.465   11.930   0.0000   0.0000  105.222   8.3666  ?   ?       ?      ? 
1 1 1  -34   14    7 o   76.780   5.6144   41.832   5.5652   43.772   6.9943   38.485   9.1875   79.610   6.4833   73.950   9.1681 5.660431 11.22889 
1 1 1  -34   14    8 o   80.324   6.6896   44.605   7.2817   44.605   7.2817   0.0000   0.0000   80.324   6.6896  ?   ?       ?      ? 
1 1 1  -34   14    9 o   46.970   7.4672   16.065   4.6348   13.619   6.2397   19.075   6.9224   42.922   10.751   51.018   10.366 -8.096031 14.93447 
1 1 1  -34   14   10 f  148.396   4.8179  151.467   9.1921  149.688   11.311  154.927   15.774  147.587   5.6556  149.205   7.8014 -1.618347 9.635744 
1 1 1  -34   14   11 o  129.532   4.9761  116.388   8.3608  116.948   10.437  115.386   13.967  130.377   5.9075  128.688   8.0093 1.689011 9.952281 
1 1 1  -34   14   12 o   76.206   5.7026   39.378   5.7743   30.147   7.5638   52.274   8.9398   65.671   8.4993   86.742   7.6053 -21.07061 11.40520 
1 1 1  -34   14   13 o  106.283   5.1964   78.020   7.2794   76.974   9.2523   79.721   11.793  105.627   6.4638  106.938   8.1381 -1.310425 10.39274 
1 1 1  -34   14   14 o  129.983   5.6221  117.392   9.8821  107.210   13.683  128.495   14.288  124.018   8.1414  135.948   7.7555 -11.93002 11.24418 
1 1 1  -34   14   15 o  149.654   4.9214  152.835   9.5514  147.894   11.814  162.163   16.230  146.624   5.9457  152.685   7.8441 -6.061462 9.842803 
1 1 1  -34   14   16 o   47.811   8.1843   16.980   5.2569   15.262   7.3763   18.752   7.4939   45.276   11.875   50.345   11.266 -5.069145 16.36860 
1 1 1  -34   14   17 o  163.575   4.8976  179.325   10.313  167.678   12.566  203.361   18.052  156.129   5.9392  171.021   7.7891 -14.89178 9.795173 
1 1 1  -34   14   18 f   49.698   8.0778   17.990   5.4242   12.011   7.3243   25.252   8.0721   40.500   12.279   58.896   10.499 -18.39618 16.15553 
1 1 1  -34   14   19 o  147.526   6.0901  149.830   12.175  149.830   12.175   0.0000   0.0000  147.526   6.0901  ?   ?       ?      ? 
1 1 1  -34   14   20 o  125.669   6.7662  114.186   11.102   97.680   17.403  125.513   14.416  117.050   10.971  134.287   7.9217 -17.23696 13.53243 
1 1 1  -34   14   21 o   98.130   7.7128   74.052   9.3630   49.163   14.791   90.694   12.095   82.077   13.299  114.184   7.8164 -32.10743 15.42551 
1 1 1  -34   14   22 o   78.232   6.1931   42.043   6.4997   36.962   8.4973   49.207   10.091   72.683   8.6271   83.781   8.8877 -11.09839 12.38626 
1 1 1  -34   14   23 o  135.622   5.6168  126.068   10.240  111.104   13.504  146.311   15.706  126.329   7.8883  144.916   7.9979 -18.58649 11.23353 
1 1 1  -34   14   24 o  153.837   5.5292  162.608   11.408  150.901   14.903  179.172   17.727  147.420   7.4600  160.255   8.1631 -12.83508 11.05838 
1 1 1  -34   14   25 o   44.733   9.4343   14.955   6.1510   14.784   8.8202   15.118   8.5825   44.521   13.469   44.946   13.213 -0.4253044 18.86858 
1 1 1  -34   14   26 o   61.453   8.2720   28.011   6.6636   19.772   9.3553   36.497   9.4938   51.050   13.366   71.857   9.7496 -20.80687 16.54396 
1 1 1  -34   14   27 o   61.411   9.8354   31.756   8.1126   16.712   13.857   39.601   10.007   48.029   17.013   74.792   9.8732 -26.76248 19.67071 
1 1 1  -34   14   28 o  118.993   5.8136   97.380   9.2977   86.070   12.248  112.759   14.283  111.005   8.1425  126.980   8.3002 -15.97529 11.62730 
1 1 1  -34   14   29 o   61.005   8.4781   27.577   6.8366   35.052   9.7903   20.463   9.5509   70.188   10.293   51.821   13.475 18.36756 16.95619 
1 1 1  -34   14   30 o  100.279   6.2152   70.492   8.4298   68.010   11.502   73.372   12.391   98.445   8.6216  102.114   8.9545 -3.668808 12.43036 
1 1 1  -34   14   31 o  100.861   6.1126   70.935   8.3207   65.874   11.169   77.246   12.473   96.904   8.5055  104.817   8.7812 -7.913834 12.22512 
1 1 1  -34   14   32 o   72.635   10.289   37.629   10.127   37.629   10.127   0.0000   0.0000   72.635   10.289  ?   ?       ?      ? 
1 1 1  -34   14   33 o   82.423   6.9726   48.771   7.6985   53.311   10.498   43.489   11.323   86.971   8.9074   77.876   10.730 9.094505 13.94514 
1 1 1  -34   14   34 o  101.860   6.1166   72.558   8.3999   68.687   11.219   77.494   12.671   98.910   8.3703  104.811   8.9214 -5.900826 12.23327 
1 1 1  -34   14   35 o   80.823   7.5478   46.287   7.3719   24.945   9.6426   76.306   11.436   57.309   12.746  104.337   8.0885 -47.02731 15.09554 
1 1 1  -34   14   36 o   35.203   9.2709   7.6544   5.9258   8.7367   8.5489   6.6536   8.2213   36.527   13.309   33.878   12.910 2.649570 18.54177 
1 1 1  -34   14   37 o   68.358   8.3991   36.251   7.2562   49.929   10.094   21.626   10.438   84.046   8.8628   52.671   14.270 31.37434 16.79815 
1 1 1  -34   14   38 o   36.523   9.3839   8.4557   6.1616   4.8231   8.7057   12.102   8.7219   32.425   13.006   40.621   13.531 -8.195885 18.76784 
1 1 1  -34   14   39 o   35.879   9.3710   7.9081   6.2089   11.560   8.6513   4.0292   8.9160   39.874   13.476   31.884   13.025 7.989988 18.74207 
1 1 1  -34   14   40 o   36.716   10.025   8.0758   7.0386   3.0427   12.509   10.408   8.5144   35.090   14.954   38.343   13.355 -3.253075 20.04950 
1 1 1  -34   14   41 o   73.940   10.865   39.666   10.886   0.0000   0.0000   39.666   10.886  ?   ?    73.940   10.865      ?      ? 
1 1 1  -34   14   42 f   86.062   8.1890   54.697   9.2871   52.317   14.716   56.273   11.972   83.656   12.981   88.469   9.9862 -4.812439 16.37793 
1 1 1  -34   14   43 o   83.563   8.8313   53.373   9.3596   47.737   14.842   57.095   12.060   78.074   14.564   89.053   9.9936 -10.97856 17.66262 
1 1 1  -34   14   44 o   90.113   9.2039   65.695   9.9952   43.121   15.432   82.008   13.119   72.970   16.043  107.256   9.0258 -34.28564 18.40780 
1 1 1  -34   14   45 o   44.427   10.261   15.314   7.6866   6.3132   12.144   21.329   9.9284   36.867   15.147   51.987   13.846 -15.12010 20.52179 
1 1 1  -34   14   46 o  108.981   11.561   87.655   17.074   87.655   17.074   0.0000   0.0000  108.981   11.561  ?   ?       ?      ? 
1 1 1  -34   14   47 o   93.490   8.8130   68.485   10.267   49.283   15.299   84.217   13.848   78.733   14.885  108.247   9.4406 -29.51389 17.62609 
1 1 1  -34   14   48 o   48.345   9.8343   18.532   7.9541   3.8204   12.062   29.854   10.581   34.751   14.743   61.938   13.019 -27.18688 19.66867 
1 1 1  -34   14   49 o   58.238   10.012   28.519   8.4643   15.202   13.106   38.047   11.086   44.786   16.455   71.690   11.412 -26.90371 20.02481 
1 1 1  -34   14   50 o   51.419   11.053   22.216   8.5916   16.508   13.617   25.991   11.074   46.043   16.794   56.795   14.376 -10.75198 22.10673 
1 1 1  -34   14   51 o   75.492   9.9255   46.127   9.6141   37.239   14.798   52.618   12.647   66.602   16.484   84.382   11.060 -17.78017 19.85096 
1 1 1  -34   14   52 o   99.046   8.5889   75.745   11.129   60.143   16.612   88.449   14.989   87.968   13.935  110.124   10.044 -22.15630 17.17778 
1 1 1  -34   14   53 o   38.795   10.555   9.8605   8.1384   3.0098   13.105   14.161   10.383   34.907   15.096   42.683   14.755 -7.775421 21.10949 
1 1 1  -34   14   54 f   57.517   15.253   27.466   12.082   0.0000   0.0000   27.466   12.082  ?   ?    57.517   15.253      ?      ? 
1 1 1  -34   14   55 o   40.067   10.565   11.034   8.4502  -0.3425   13.868   17.752   10.657   33.503   14.965   46.630   14.918 -13.12732 21.13049 
1 1 1  -34   14   56 o   26.519   8.6537  -6.0015   7.4460 -13.5346   11.671  -0.8300   9.6698   24.697   11.879   28.340   12.587 -3.643419 17.30746 
1 1 1  -34   14   57 o   49.651   10.532   20.670   8.7972   6.3236   13.333   31.733   11.708   36.955   15.579   62.346   14.178 -25.39117 21.06438 
1 1 1  -34   14   58 o  133.375   7.8523  135.657   13.837  106.602   19.890  162.910   19.263  117.576   12.483  149.174   9.5291 -31.59780 15.70462 
1 1 1  -34   14   59 o   30.577   13.875  -2.3229   12.464  -2.3229   12.464   0.0000   0.0000   30.577   13.875  ?   ?       ?      ? 
1 1 1  -34   14   60 o   29.022   13.517  -6.3601   12.955  -6.3601   12.955   0.0000   0.0000   29.022   13.517  ?   ?       ?      ? 
1 1 1  -34   14   61 o   42.290   10.845   13.966   8.7649   3.8893   13.369   21.562   11.608   34.795   15.148   49.784   15.524 -14.98898 21.69004 
1 1 1  -34   14   62 o   48.785   10.499   20.260   9.0677   3.4543   13.625   33.621   12.149   34.563   15.162   63.006   14.526 -28.44326 20.99776 
1 1 1  -34   14   63 o   53.269   11.931   26.356   9.6658   25.481   14.249   27.101   13.156   52.097   17.291   54.441   16.445 -2.344135 23.86295 
1 1 1  -34   14   64 o   44.130   11.232   14.091   9.5340   29.587   14.308   1.7138   12.787   55.809   17.208   32.450   14.441 23.35949 22.46449 
1 1 1  -34   14   65 o   69.221   11.626   43.872   10.724   44.764   15.728   43.098   14.662   69.348   16.892   69.094   15.977 0.2536850 23.25138 
1 1 1  -34   14   66 o   67.707   15.925   41.867   14.367   0.0000   0.0000   41.867   14.367  ?   ?    67.707   15.925      ?      ? 
1 1 1  -34   14   67 o   63.911   17.064   39.698   15.057   0.0000   0.0000   39.698   15.057  ?   ?    63.911   17.064      ?      ? 
1 1 1  -34   14   68 o   31.631   14.256   1.6968   12.901   0.0000   0.0000   1.6968   12.901  ?   ?    31.631   14.256      ?      ? 
1 1 1  -34   14   69 o   42.698   16.596   17.892   13.777   0.0000   0.0000   17.892   13.777  ?   ?    42.698   16.596      ?      ? 
1 1 1  -34   14   70 o   36.534   15.526   10.353   13.418   0.0000   0.0000   10.353   13.418  ?   ?    36.534   15.526      ?      ? 
1 1 1  -34   15    1 o   35.663   14.460   6.1149   10.888   6.1149   10.888   0.0000   0.0000   35.663   14.460  ?   ?       ?      ? 
1 1 1  -34   15    2 o   96.670   11.549   68.541   15.129   68.541   15.129   0.0000   0.0000   96.670   11.549  ?   ?       ?      ? 
1 1 1  -34   15    3 o   52.327   15.992   22.018   12.388   22.018   12.388   0.0000   0.0000   52.327   15.992  ?   ?       ?      ? 
1 1 1  -34   15    4 o   81.909   12.961   50.065   14.387   50.065   14.387   0.0000   0.0000   81.909   12.961  ?   ?       ?      ? 
1 1 1  -34   15    5 o   43.948   15.911   13.999   12.189   13.999   12.189   0.0000   0.0000   43.948   15.911  ?   ?       ?      ? 
1 1 1  -34   15    6 o   53.110   16.777   22.759   13.510   22.759   13.510   0.0000   0.0000   53.110   16.777  ?   ?       ?      ? 
1 1 1  -34   15    7 o   42.075   16.175   11.461   12.979   11.461   12.979   0.0000   0.0000   42.075   16.175  ?   ?       ?      ? 
1 1 1  -34   15    8 o   77.993   15.555   48.062   15.863   48.062   15.863   0.0000   0.0000   77.993   15.555  ?   ?       ?      ? 
1 1 1  -34   15    9 o   63.681   16.140   32.664   13.946   32.664   13.946   0.0000   0.0000   63.681   16.140  ?   ?       ?      ? 
1 1 1  -34   15   10 o   69.189   15.757   38.126   14.444   38.126   14.444   0.0000   0.0000   69.189   15.757  ?   ?       ?      ? 
1 1 1  -34   15   11 o  120.274   11.556  105.427   18.836  105.427   18.836   0.0000   0.0000  120.274   11.556  ?   ?       ?      ? 
1 1 1  -34   15   12 o   49.280   16.492   18.898   12.956   18.898   12.956   0.0000   0.0000   49.280   16.492  ?   ?       ?      ? 
1 1 1  -34   15   13 o   89.428   12.700   59.085   15.391   59.085   15.391   0.0000   0.0000   89.428   12.700  ?   ?       ?      ? 
1 1 1  -34   15   14 o   32.935   8.5503   6.0047   5.1917   10.597   7.6826   2.1450   7.0432   38.273   12.697   27.596   11.455 10.67784 17.10053 
1 1 1  -34   15   15 f   69.422   7.2261   35.202   6.3561   23.735   8.7341   48.111   9.2673   56.138   11.853   82.705   8.2688 -26.56681 14.45212 
1 1 1  -34   15   16 o   77.566   8.3301   47.241   7.8754   33.562   12.460   56.339   10.163   65.677   14.397   89.455   8.3833 -23.77808 16.66018 
1 1 1  -34   15   17 o   46.153   8.6638   16.265   5.8204   9.3615   8.3548   22.775   8.1133   37.075   13.202   55.232   11.223 -18.15648 17.32767 
1 1 1  -34   15   18 o   81.922   8.6444   47.363   9.5966   47.363   9.5966   0.0000   0.0000   81.922   8.6444  ?   ?       ?      ? 
1 1 1  -34   15   19 o   62.932   7.7959   29.211   6.4441   33.372   9.0689   24.967   9.1584   68.380   9.7868   57.485   12.138 10.89578 15.59173 
1 1 1  -34   15   20 o   20.118   6.7207  -6.9109   4.7867  -8.5153   7.3384  -5.7227   6.3151   20.337   9.6829   19.898   9.3227 0.4383564 13.44141 
1 1 1  -34   15   21 o   96.333   5.9719   64.618   7.7495   57.134   10.341   74.205   11.704   90.033   8.4756  102.633   8.4153 -12.60033 11.94375 
1 1 1  -34   15   22 o   60.842   8.1928   27.935   6.5235   35.797   9.1780   19.908   9.2741   70.887   9.5543   50.797   13.312 20.09020 16.38564 
1 1 1  -34   15   23 o  132.807   5.6077  121.047   9.9675  106.825   12.917  141.979   15.671  123.497   7.7185  142.116   8.1370 -18.61961 11.21543 
1 1 1  -34   15   24 o   49.396   8.9657   18.598   6.4391   27.654   9.1738   9.8029   9.0403   60.800   11.557   37.992   13.710 22.80766 17.93143 
1 1 1  -34   15   25 o   55.685   9.8557   26.481   7.9372   12.082   13.891   33.461   9.6715   43.209   16.700   68.161   10.471 -24.95195 19.71140 
1 1 1  -34   15   26 o   60.088   10.247   29.508   8.2977   21.797   14.123   33.573   10.254   52.182   17.210   67.995   11.129 -15.81345 20.49443 
1 1 1  -34   15   27 o   60.252   8.3962   26.694   6.6982   16.534   8.9729   39.480   10.066   46.314   13.481   74.190   10.012 -27.87635 16.79232 
1 1 1  -34   15   28 o   69.662   7.9508   36.048   7.2396   39.028   9.8453   32.540   10.683   73.814   9.8425   65.510   12.489 8.304237 15.90155 
1 1 1  -34   15   29 o   79.919   6.9958   45.319   7.5334   39.705   10.110   52.328   11.297   74.349   10.034   85.489   9.7511 -11.13937 13.99169 
1 1 1  -34   15   30 o   62.394   9.9453   29.995   8.0961   33.103   12.746   27.894   10.482   64.678   14.855   60.110   13.227 4.567471 19.89058 
1 1 1  -34   15   31 f   36.046   14.600   6.2755   11.086   6.2755   11.086   0.0000   0.0000   36.046   14.600  ?   ?       ?      ? 
1 1 1  -34   15   32 o   83.606   9.3418   58.092   9.3284   28.899   13.828   82.477   12.637   59.348   16.563  107.864   8.6456 -48.51620 18.68361 
1 1 1  -34   15   33 o   34.606   9.3992   6.3297   6.6470  -1.1051   10.398   11.468   8.6439   29.636   13.113   39.576   13.470 -9.940628 18.79850 
1 1 1  -34   15   34 o   24.881   7.8428  -5.5539   6.0964 -19.8780   9.8510   3.3375   7.7612   20.127   9.9392   29.635   12.135 -9.507490 15.68569 
1 1 1  -34   15   35 o   58.240   9.4913   28.490   7.8993   13.155   12.338   39.143   10.283   42.951   15.932   73.528   10.320 -30.57671 18.98259 
1 1 1  -34   15   36 o   42.785   10.484   13.447   7.2579   15.478   11.735   12.189   9.2365   44.992   15.678   40.579   13.923 4.412167 20.96791 
1 1 1  -34   15   37 o   28.677   8.8130  -0.5008   6.6616  -9.0152   11.064   4.3409   8.3433   26.082   12.258   31.271   12.665 -5.189327 17.62594 
1 1 1  -34   15   38 o   40.907   10.218   12.367   7.2527   7.2731   11.787   15.470   9.2006   37.250   15.066   44.564   13.809 -7.313969 20.43684 
1 1 1  -34   15   39 o   43.806   13.964   14.901   9.3433   0.0000   0.0000   14.901   9.3433  ?   ?    43.806   13.964      ?      ? 
1 1 1  -34   15   40 o   35.371   8.6116   4.4685   7.0083 -19.8940   11.730   17.992   8.7395   22.840   11.193   47.901   13.091 -25.06105 17.22314 
1 1 1  -34   15   41 o   67.499   9.7280   38.782   8.6258   21.436   13.367   51.160   11.291   50.966   16.740   84.032   9.9156 -33.06576 19.45609 
1 1 1  -34   15   42 o   34.053   9.5943   5.6708   7.0110  -1.8844   11.449   10.203   8.8680   30.250   13.548   37.856   13.589 -7.606445 19.18870 
1 1 1  -34   15   43 o   40.578   10.348   12.137   7.4106   7.9531   11.888   14.796   9.4773   37.658   15.165   43.499   14.085 -5.841003 20.69678 
1 1 1  -34   15   44 o   62.245   15.941   32.232   13.505   32.232   13.505   0.0000   0.0000   62.245   15.941  ?   ?       ?      ? 
1 1 1  -34   15   45 o   75.219   14.563   45.336   14.308   45.336   14.308   0.0000   0.0000   75.219   14.563  ?   ?       ?      ? 
1 1 1  -34   15   46 o   34.869   10.020   6.1491   7.4737   2.4616   11.865   8.5745   9.6226   33.349   14.393   36.389   13.943 -3.040314 20.03910 
1 1 1  -34   15   47 o   27.118   8.7855  -5.2607   7.1178  -0.0587   11.374  -8.6096   9.1257   31.099   13.740   23.137   10.953 7.961765 17.57103 
1 1 1  -34   15   48 o   51.115   11.014   21.745   8.2340   21.602   13.084   21.839   10.595   50.583   16.559   51.646   14.529 -1.063286 22.02899 
1 1 1  -34   15   49 o   64.759   9.1048   37.141   9.0069   4.8082   13.462   63.341   12.119   36.244   15.481   93.275   9.5876 -57.03043 18.20966 
1 1 1  -34   15   50 o   49.331   11.222   20.652   8.5790   17.587   13.500   22.728   11.111   46.375   16.752   52.288   14.937 -5.913269 22.44399 
1 1 1  -34   15   51 o   58.307   10.624   29.694   8.9621   17.741   13.561   38.963   11.941   46.390   16.784   70.224   13.028 -23.83395 21.24724 
1 1 1  -34   15   52 o   53.440   10.268   24.387   9.2578   4.2956   14.002   39.993   12.340   36.081   15.604   70.799   13.352 -34.71814 20.53668 
1 1 1  -34   15   53 o   55.294   15.876   26.374   12.522   0.0000   0.0000   26.374   12.522  ?   ?    55.294   15.876      ?      ? 
1 1 1  -34   15   54 o   45.499   11.509   17.242   8.9489   18.895   13.384   15.905   12.034   46.980   16.712   44.017   15.827 2.962799 23.01723 
1 1 1  -34   15   55 o   62.213   11.140   34.496   9.7334   24.329   14.364   43.128   13.235   51.827   17.365   72.599   13.960 -20.77172 22.28074 
1 1 1  -34   15   56 o  124.734   8.3178  122.301   13.440   86.862   19.206  156.316   18.816  104.028   13.624  145.439   9.5467 -41.41113 16.63559 
1 1 1  -34   15   57 o   35.722   10.520   5.2085   8.5911   13.845   13.236  -1.0788   11.293   41.798   16.261   29.645   13.352 12.15307 21.04009 
1 1 1  -34   15   58 o   38.685   15.919   10.082   13.439   10.082   13.439   0.0000   0.0000   38.685   15.919  ?   ?       ?      ? 
1 1 1  -34   15   59 o   42.153   11.493   13.925   9.3749   20.847   14.222   8.6075   12.467   47.445   17.185   36.861   15.266 10.58410 22.98669 
1 1 1  -34   15   60 o   37.460   10.924   9.4551   9.0436   6.7660   13.388   11.712   12.265   35.903   15.389   39.017   15.508 -3.113987 21.84803 
1 1 1  -34   15   61 o  101.435   8.9005   83.426   12.177   79.313   17.684   87.135   16.793   98.084   13.305  104.785   11.826 -6.700653 17.80101 
1 1 1  -34   15   62 o   54.763   11.266   28.694   9.9764   13.904   14.375   42.438   13.857   40.727   16.577   68.799   15.262 -28.07203 22.53287 
1 1 1  -34   15   63 o   43.577   10.738   15.127   9.3267  -1.0317   13.366   30.460   13.020   30.761   14.113   56.393   16.189 -25.63249 21.47648 
1 1 1  -34   15   64 o   27.344   8.9796  -5.7142   8.3872 -15.8700   12.461   2.6974   11.341   23.807   11.638   30.881   13.678 -7.073992 17.95911 
1 1 1  -34   15   65 o   37.891   15.577   11.998   12.852   0.0000   0.0000   11.998   12.852  ?   ?    37.891   15.577      ?      ? 
1 1 1  -34   15   66 o   29.817   13.634   0.2494   12.333   0.0000   0.0000   0.2494   12.333  ?   ?    29.817   13.634      ?      ? 
1 1 1  -34   15   67 o   30.902   14.016   2.3028   12.701   0.0000   0.0000   2.3028   12.701  ?   ?    30.902   14.016      ?      ? 
1 1 1  -34   16   20 o   34.525   14.051   5.6265   10.325   5.6265   10.325   0.0000   0.0000   34.525   14.051  ?   ?       ?      ? 
1 1 1  -34   16   21 o   56.061   9.3634   25.501   7.2701   16.960   11.293   31.545   9.5006   46.379   15.394   65.744   10.664 -19.36459 18.72671 
1 1 1  -34   16   22 o   27.140   8.4623  -0.6762   5.9755  -1.9668   9.5780   0.1463   7.6461   27.801   12.426   26.479   11.491 1.321890 16.92465 
1 1 1  -34   16   23 o   68.802   9.1564   37.793   8.1268   25.433   11.980   48.328   11.061   55.887   15.349   81.717   9.9883 -25.83006 18.31289 
1 1 1  -34   16   24 o   30.427   12.555   3.4636   8.3863   0.0000   0.0000   3.4636   8.3863  ?   ?    30.427   12.555      ?      ? 
1 1 1  -34   16   25 o   55.589   13.304   24.271   9.8883   0.0000   0.0000   24.271   9.8883  ?   ?    55.589   13.304      ?      ? 
1 1 1  -34   16   26 o   37.148   9.9364   7.7739   6.8832   14.172   10.956   3.6025   8.8471   43.200   15.144   31.096   12.868 12.10406 19.87284 
1 1 1  -34   16   27 o   84.298   8.5584   54.852   9.1805   44.895   13.911   62.534   12.219   75.526   14.111   93.069   9.6884 -17.54206 17.11679 
1 1 1  -34   16   28 o   49.775   9.9038   20.327   7.6182   9.5313   11.609   28.492   10.096   38.919   15.204   60.630   12.695 -21.71097 19.80755 
1 1 1  -34   16   29 o   24.529   11.640 -10.2090   10.434 -10.2090   10.434   0.0000   0.0000   24.529   11.640  ?   ?       ?      ? 
1 1 1  -34   16   30 o   91.555   12.242   62.876   15.189   62.876   15.189   0.0000   0.0000   91.555   12.242  ?   ?       ?      ? 
1 1 1  -34   16   31 o   47.180   10.131   17.878   7.8642   6.6032   12.025   26.304   10.395   36.710   15.077   57.651   13.537 -20.94104 20.26243 
1 1 1  -34   16   32 o   74.785   9.6371   46.350   9.0960   29.343   13.780   59.483   12.109   59.027   16.556   90.544   9.8688 -31.51674 19.27411 
1 1 1  -34   16   33 o   71.079   9.7426   39.719   9.0787   37.736   13.830   41.221   12.035   67.967   15.375   74.192   11.970 -6.225365 19.48522 
1 1 1  -34   16   34 o  149.680   7.0246  163.079   14.166  161.152   21.088  164.663   19.123  148.282   10.494  151.079   9.3407 -2.796310 14.04921 
1 1 1  -34   16   35 o  125.637   7.4276  116.975   12.445  106.675   18.740  125.100   16.644  119.624   11.560  131.650   9.3296 -12.02657 14.85526 
1 1 1  -34   16   36 o   78.864   9.8344   54.170   9.6138   25.694   14.486   76.584   12.852   54.672   17.383  103.055   9.2028 -48.38322 19.66871 
1 1 1  -34   16   37 o   74.512   9.5071   43.402   9.0579   42.653   14.667   43.864   11.517   72.083   15.477   76.941   11.045 -4.857719 19.01423 
1 1 1  -34   16   38 o  139.665   9.1017  140.673   17.226   0.0000   0.0000  140.673   17.226  ?   ?   139.665   9.1017      ?      ? 
1 1 1  -34   16   39 o   69.834   9.7096   38.033   8.7078   42.774   13.919   34.984   11.162   72.745   14.626   66.922   12.774 5.822540 19.41926 
1 1 1  -34   16   40 o   60.944   9.3117   33.385   8.5079   8.0618   13.347   50.717   11.042   38.490   15.855   83.398   9.7702 -44.90866 18.62338 
1 1 1  -34   16   41 o   83.588   9.6457   58.067   9.9060   40.486   15.381   70.528   12.949   68.847   16.665   98.330   9.7180 -29.48303 19.29147 
1 1 1  -34   16   42 o   83.547   9.7391   57.887   10.084   41.261   15.517   70.042   13.267   69.385   16.703   97.709   10.020 -28.32368 19.47823 
1 1 1  -34   16   43 o  126.971   11.323  120.999   19.483  120.999   19.483   0.0000   0.0000  126.971   11.323  ?   ?       ?      ? 
1 1 1  -34   16   44 o   25.104   8.3265  -7.4219   7.1565 -11.7183   11.252  -4.5035   9.2738   24.784   11.853   25.424   11.698 -0.6392193 16.65300 
1 1 1  -34   16   45 o   49.080   10.653   20.036   8.6606   8.1979   12.753   30.169   11.798   37.815   15.528   60.345   14.589 -22.53056 21.30607 
1 1 1  -34   16   46 o   48.254   9.5838   16.010   8.9101  -8.0387   12.969   37.511   12.262   28.442   13.336   68.066   13.767 -39.62428 19.16758 
1 1 1  -34   16   47 o   63.237   11.124   35.073   9.7797   25.155   14.215   43.985   13.476   52.991   17.256   73.483   14.045 -20.49144 22.24888 
1 1 1  -34   16   48 o   63.256   10.652   35.415   9.7807   19.696   14.578   48.285   13.190   47.577   17.373   78.936   12.331 -31.35875 21.30443 
1 1 1  -34   16   49 o   40.827   11.088   12.674   8.5842   13.753   12.799   11.792   11.573   41.919   16.075   39.735   15.275 2.184021 22.17512 
1 1 1  -34   16   50 o   58.386   11.383   30.848   9.6332   22.589   14.210   37.871   13.104   49.884   17.260   66.889   14.844 -17.00584 22.76548 
1 1 1  -34   16   51 o   68.976   14.777   40.339   13.396   0.0000   0.0000   40.339   13.396  ?   ?    68.976   14.777      ?      ? 
1 1 1  -34   16   52 o   73.636   10.112   49.557   10.747   14.501   15.372   83.073   15.031   42.665   17.223  104.607   10.603 -61.94263 20.22484 
1 1 1  -34   16   53 o   58.427   10.242   30.611   9.8444   8.7642   14.485   49.362   13.420   38.132   16.166   78.722   12.579 -40.59046 20.48337 
1 1 1  -34   16   54 o   32.253   9.9683   3.0393   8.2070   3.8995   12.359   2.3607   10.977   33.368   14.544   31.139   13.636 2.228895 19.93668 
1 1 1  -34   16   55 o   40.776   11.044   13.495   9.0437   5.5960   13.698   19.598   12.041   35.238   15.337   46.314   15.896 -11.07644 22.08840 
1 1 1  -34   16   56 o   50.069   17.540   24.864   14.696   24.864   14.696   0.0000   0.0000   50.069   17.540  ?   ?       ?      ? 
1 1 1  -34   16   57 o   39.249   15.926   12.425   13.218   12.425   13.218   0.0000   0.0000   39.249   15.926  ?   ?       ?      ? 
1 1 1  -34   16   58 o   33.654   10.314   3.9081   8.9091   12.151   13.198  -2.9913   12.075   38.748   15.841   28.561   13.214 10.18764 20.62884 
1 1 1  -34   16   59 o   28.610   9.2895  -4.0897   8.6822 -14.9611   12.873   4.9828   11.760   24.549   11.964   32.670   14.214 -8.121592 18.57900 
1 1 1  -34   16   60 o   41.993   11.266   16.263   9.6900   5.2719   14.515   25.098   13.015   34.299   15.316   49.687   16.527 -15.38804 22.53250 
1 1 1  -34   16   61 o   54.781   11.223   31.659   10.444   12.968   15.666   46.608   14.011   38.779   16.636   70.783   15.069 -32.00455 22.44599 
1 1 1  -34   16   62 o   35.208   10.826   8.6943   9.5595   9.1772   14.699   8.3405   12.584   35.871   15.742   34.545   14.867 1.325680 21.65249 
1 1 1  -34   17   28 o   43.216   15.810   14.483   12.080   14.483   12.080   0.0000   0.0000   43.216   15.810  ?   ?       ?      ? 
1 1 1  -34   17   29 o   36.844   10.251   8.0564   7.4678   11.747   11.513   5.3763   9.8117   40.354   15.301   33.334   13.646 7.020329 20.50216 
1 1 1  -34   17   30 o   65.545   9.9761   36.103   8.8295   23.283   13.142   46.652   11.921   52.082   16.557   79.008   11.134 -26.92675 19.95213 
1 1 1  -34   17   31 o   58.912   10.687   29.010   8.5121   28.497   13.176   29.378   11.152   57.647   16.196   60.176   13.947 -2.528492 21.37403 
1 1 1  -34   17   32 f   42.425   10.306   13.997   7.7459   5.5524   11.864   20.272   10.227   35.244   14.768   49.607   14.378 -14.36286 20.61128 
1 1 1  -34   17   33 o   61.156   10.634   31.824   8.7474   27.474   13.637   34.865   11.402   56.120   16.697   66.193   13.174 -10.07312 21.26867 
1 1 1  -34   17   34 o   44.205   11.051   15.613   8.2100   17.938   12.482   13.841   10.899   46.402   16.170   42.009   15.067 4.392738 22.10148 
1 1 1  -34   17   35 f   61.991   10.573   31.435   8.7314   38.089   13.476   26.621   11.463   67.577   15.097   56.405   14.808 11.17247 21.14673 
1 1 1  -34   17   36 o   48.189   14.923   19.459   10.746   0.0000   0.0000   19.459   10.746  ?   ?    48.189   14.923      ?      ? 
1 1 1  -34   17   37 o   25.642   8.3997  -9.1448   6.8326   2.5696   11.134 -16.2210   8.6535   32.179   13.916   19.104   9.4114 13.07512 16.79947 
1 1 1  -34   17   38 o   45.058   10.265   17.003   7.7685   7.7616   12.095   23.492   10.135   36.798   15.118   53.317   13.889 -16.51983 20.52924 
1 1 1  -34   17   39 o   28.942   9.0900  -0.1976   7.0728  -2.7967   11.336   1.4592   9.0506   28.948   13.172   28.937   12.530 0.1121521E-01 18.17991 
1 1 1  -34   17   40 o   52.750   10.972   24.294   8.3816   22.344   12.855   25.737   11.054   50.303   16.411   55.197   14.566 -4.894199 21.94316 
1 1 1  -34   17   41 o   37.428   15.258   8.7943   12.201   8.7943   12.201   0.0000   0.0000   37.428   15.258  ?   ?       ?      ? 
1 1 1  -34   17   42 o   49.015   16.617   21.462   13.154   21.462   13.154   0.0000   0.0000   49.015   16.617  ?   ?       ?      ? 
1 1 1  -34   17   43 o   33.835   9.8990   3.0931   7.8727   13.667   11.832  -5.3076   10.546   41.269   15.544   26.400   12.262 14.86921 19.79794 
1 1 1  -34   17   44 o   51.374   11.136   23.764   8.8233   17.017   12.939   29.629   12.063   44.402   16.344   58.345   15.130 -13.94298 22.27218 
1 1 1  -34   17   45 o   63.374   10.415   35.204   9.2963   22.655   13.335   47.069   12.967   49.627   16.731   77.121   12.407 -27.49429 20.82952 
1 1 1  -34   17   46 o   42.113   10.613   14.124   8.5339   3.1364   12.689   23.199   11.531   33.264   14.611   50.962   15.397 -17.69823 21.22660 
1 1 1  -34   17   47 o   59.990   10.029   32.178   9.5633   10.392   13.800   52.307   13.265   38.671   16.042   81.309   12.039 -42.63838 20.05707 
1 1 1  -34   17   48 o   38.478   9.9485   8.1787   8.5893 -11.3397   13.062   23.049   11.401   26.480   12.692   50.476   15.323 -23.99600 19.89697 
1 1 1  -34   17   49 o   68.416   14.719   40.931   13.241   0.0000   0.0000   40.931   13.241  ?   ?    68.416   14.719      ?      ? 
1 1 1  -34   17   50 o   33.296   14.192   5.6651   11.270   0.0000   0.0000   5.6651   11.270  ?   ?    33.296   14.192      ?      ? 
1 1 1  -34   17   51 o   64.492   11.271   39.644   10.037   30.366   14.662   47.826   13.770   54.795   17.495   74.189   14.214 -19.39404 22.54131 
1 1 1  -34   17   52 o   49.697   11.367   24.202   9.3839   14.735   13.747   32.462   12.841   40.747   16.343   58.646   15.802 -17.89886 22.73337 
1 1 1  -34   17   53 o   39.190   10.923   12.004   8.7906   20.748   13.254   5.1367   11.746   45.643   16.581   32.737   14.225 12.90655 21.84659 
1 1 1  -34   17   54 o   50.055   11.954   26.001   9.6523   24.829   14.279   26.987   13.098   48.520   17.262   51.591   16.543 -3.071213 23.90869 
1 1 1  -34   17   55 o   34.277   14.998   6.8514   13.256   6.8514   13.256   0.0000   0.0000   34.277   14.998  ?   ?       ?      ? 
1 1 1  -34   17   56 o   30.308   9.5747  -3.5900   8.6857   13.556   13.048 -17.2323   11.639   38.504   15.747   22.111   10.897 16.39325 19.14943 
1 1 1  -34   17   57 o   30.157   9.4404  -1.8166   8.7050 -18.8217   12.809   12.779   11.867   22.865   11.299   37.449   15.127 -14.58348 18.88089 
1 1 1  -34   18   36 o   37.560   10.502   10.095   8.1646   4.9021   12.429   14.036   10.829   34.131   14.731   40.990   14.973 -6.858978 21.00447 
1 1 1  -34   18   37 o   44.270   10.898   15.571   8.2401   26.166   13.003   8.4608   10.652   53.005   16.415   35.534   14.339 17.47096 21.79597 
1 1 1  -34   18   38 o   47.886   11.286   20.794   8.4684   22.857   13.330   19.399   10.965   49.204   16.727   46.569   15.155 2.635464 22.57171 
1 1 1  -34   18   39 o   31.328   9.6983   2.1174   8.1018  -4.5959   12.626   6.8168   10.564   28.750   13.374   33.906   14.048 -5.155542 19.39660 
1 1 1  -34   18   40 o   76.984   15.399   52.616   15.503   52.616   15.503   0.0000   0.0000   76.984   15.399  ?   ?       ?      ? 
1 1 1  -34   18   41 o   34.188   9.8618   0.9520   8.0636   19.186   12.722 -11.2930   10.425   45.261   16.273   23.114   11.145 22.14713 19.72355 
1 1 1  -34   18   42 o   30.665   9.7275   0.6496   8.2295   4.5051   12.933  -1.9737   10.668   33.601   14.755   27.729   12.680 5.872107 19.45499 
1 1 1  -34   18   43 o   56.884   10.136   30.248   9.6085   9.2913   14.120   48.323   13.113   37.140   15.859   76.629   12.628 -39.48806 20.27248 
1 1 1  -34   18   44 o   51.086   11.156   25.575   9.3352   14.237   13.784   35.183   12.688   40.321   16.297   61.850   15.238 -21.52837 22.31121 
1 1 1  -34   18   45 o   65.789   10.787   41.904   10.083   26.490   14.922   54.857   13.678   50.084   17.664   81.493   12.386 -31.40886 21.57382 
1 1 1  -34   18   46 o   51.664   11.660   25.916   9.3768   36.132   14.418   18.427   12.344   59.803   16.992   43.525   15.973 16.27722 23.32060 
1 1 1  -34   18   47 o   69.914   11.239   49.155   10.808   35.306   16.663   59.216   14.202   55.771   18.703   84.057   12.468 -28.28638 22.47751 
1 1 1  -34   18   48 o   54.328   15.937   29.408   12.498   0.0000   0.0000   29.408   12.498  ?   ?    54.328   15.937      ?      ? 
1 1 1  -34   18   49 o   36.314   10.617   9.7642   9.1769  -0.2365   13.727   17.846   12.340   30.502   14.104   42.127   15.872 -11.62486 21.23362 
1 1 1  -34   18   50 f   34.188   10.318   6.9674   9.1011  -3.5095   13.715   15.211   12.166   28.870   13.593   39.507   15.526 -10.63680 20.63588 
1 1 1  -33    0    2 o  278.031   7.0152  525.697   26.393   0.0000   0.0000  525.697   26.393  278.031   7.0152  278.031   7.0152 -0.000000 0.000000 
1 1 1  -33    0    3 o  325.621   7.2568  720.838   31.985   0.0000   0.0000  720.838   31.985  325.621   7.2568  325.621   7.2568 -0.000000 0.000000 
1 1 1  -33    0    4 o  300.291   7.0485  613.075   28.647   0.0000   0.0000  613.075   28.647  300.291   7.0485  300.291   7.0485 -0.000000 0.000000 
1 1 1  -33    0    5 o  224.474   6.5507  342.799   19.888   0.0000   0.0000  342.799   19.888  224.474   6.5507  224.474   6.5507 -0.000000 0.000000 
1 1 1  -33    0    6 o   87.014   8.1215   52.743   9.3848   0.0000   0.0000   52.743   9.3848   87.014   8.1215   87.014   8.1215 -0.000000 0.000000 
1 1 1  -33    0    7 o   57.807   11.851   25.380   8.2049   0.0000   0.0000   25.380   8.2049   57.807   11.851   57.807   11.851 -0.000000 0.000000 
1 1 1  -33    0    8 o  210.931   6.5525  302.775   18.689   0.0000   0.0000  302.775   18.689  210.931   6.5525  210.931   6.5525 -0.000000 0.000000 
1 1 1  -33    0    9 o  273.074   6.8851  507.030   25.442   0.0000   0.0000  507.030   25.442  273.074   6.8851  273.074   6.8851 -0.000000 0.000000 
1 1 1  -33    0   10 o  368.833   7.7741  924.850   38.818   0.0000   0.0000  924.850   38.818  368.833   7.7741  368.833   7.7741 -0.000000 0.000000 
1 1 1  -33    0   11 o  230.134   6.7135  360.308   20.897   0.0000   0.0000  360.308   20.897  230.134   6.7135  230.134   6.7135 -0.000000 0.000000 
1 1 1  -33    0   12 o  216.282   6.6810  318.329   19.539   0.0000   0.0000  318.329   19.539  216.282   6.6810  216.282   6.6810 -0.000000 0.000000 
1 1 1  -33    0   13 o  192.926   6.6160  253.448   17.251   0.0000   0.0000  253.448   17.251  192.926   6.6160  192.926   6.6160 -0.000000 0.000000 
1 1 1  -33    0   14 o  193.333   9.1085  255.633   23.743   0.0000   0.0000  255.633   23.743  193.333   9.1085  193.333   9.1085 -0.000000 0.000000 
1 1 1  -33    0   15 o  222.784   6.4725  339.017   19.460  346.961   27.438  330.978   27.602  225.450   9.0138  220.118   9.2911 -0.000000 0.000000 
1 1 1  -33    0   16 o  210.290   9.2323  302.202   26.194   0.0000   0.0000  302.202   26.194  210.290   9.2323  210.290   9.2323 -0.000000 0.000000 
1 1 1  -33    0   17 o  213.967   9.2053  312.785   26.579   0.0000   0.0000  312.785   26.579  213.967   9.2053  213.967   9.2053 -0.000000 0.000000 
1 1 1  -33    0   18 o  225.589   9.3115  347.561   28.355   0.0000   0.0000  347.561   28.355  225.589   9.3115  225.589   9.3115 -0.000000 0.000000 
1 1 1  -33    0   19 o  193.372   6.4713  255.847   16.860  266.310   23.866  245.422   23.823  197.383   8.9645  189.361   9.3354 -0.000000 0.000000 
1 1 1  -33    0   20 o  207.532   6.5276  294.391   18.273  295.636   25.686  293.116   26.001  207.994   9.1532  207.070   9.3090 -0.000000 0.000000 
1 1 1  -33    0   21 o  213.419   6.5434  310.823   18.830  296.253   26.123  326.579   27.166  208.182   9.3021  218.657   9.2053 -0.000000 0.000000 
1 1 1  -33    0   22 o  222.551   6.6010  338.288   19.826  335.078   27.804  341.608   28.279  221.479   9.3013  223.624   9.3690 -0.000000 0.000000 
1 1 1  -33    0   23 o  387.005   7.9454  1021.58   41.587  1036.72   59.114  1006.74   58.517  389.857   11.210  384.152   11.263 -0.000000 0.000000 
1 1 1  -33    0   24 o  279.164   6.9516  531.725   26.224  530.772   37.019  532.684   37.154  278.914   9.8220  279.414   9.8402 -0.000000 0.000000 
1 1 1  -33    0   25 o  216.538   6.6272  319.998   19.343  341.294   27.879  300.232   26.859  223.540   9.2391  209.537   9.5037 -0.000000 0.000000 
1 1 1  -33    0   26 o   33.787   17.801   11.312   10.840   11.312   10.840   0.0000   0.0000   33.787   17.801   33.787   17.801 -0.000000 0.000000 
1 1 1  -33    0   27 o   86.396   12.597   53.948   13.833   53.948   13.833   0.0000   0.0000   86.396   12.597   86.396   12.597 -0.000000 0.000000 
1 1 1  -33    0   28 o  218.801   9.5025  327.228   28.055  327.228   28.055   0.0000   0.0000  218.801   9.5025  218.801   9.5025 -0.000000 0.000000 
1 1 1  -33    0   29 o  295.917   7.1440  597.114   28.562  617.047   41.003  578.323   39.809  300.731   10.087  291.103   10.119 -0.000000 0.000000 
1 1 1  -33    0   30 o  336.413   7.5034  771.673   34.118  794.208   49.006  750.474   47.530  341.187   10.622  331.638   10.601 -0.000000 0.000000 
1 1 1  -33    0   31 o  280.608   7.0725  537.070   26.806  553.900   38.538  521.295   37.311  284.878   10.011  276.338   9.9931 -0.000000 0.000000 
1 1 1  -33    0   32 o  448.520   8.7347  1373.68   52.996  1380.85   75.380  1366.68   74.524  449.668   12.392  447.371   12.314 -0.000000 0.000000 
1 1 1  -33    0   33 o  468.848   8.9872  1501.59   57.004  1500.24   80.912  1502.93   80.322  468.621   12.763  469.074   12.657 -0.000000 0.000000 
1 1 1  -33    0   34 o  524.525   9.6996  1880.77   68.829  1901.07   98.330  1861.27   96.377  527.283   13.783  521.768   13.652 -0.000000 0.000000 
1 1 1  -33    0   35 o  367.262   7.9141  920.395   39.290  934.851   56.493  906.851   54.682  370.038   11.290  364.487   11.094 -0.000000 0.000000 
1 1 1  -33    0   36 f  218.331   6.9264  325.542   20.372  336.974   29.745  315.440   27.960  221.926   9.9359  214.736   9.6528 -0.000000 0.000000 
1 1 1  -33    0   37 o  169.506   7.1412  195.323   16.175  223.956   24.361  172.747   21.632  180.626   10.023  158.386   10.175 -0.000000 0.000000 
1 1 1  -33    0   38 o  204.281   6.9942  286.202   19.226  277.585   27.719  294.192   26.691  201.217   10.226  207.344   9.5452 -0.000000 0.000000 
1 1 1  -33    0   39 o  249.774   7.2022  426.543   24.232  427.120   35.466  426.039   33.187  249.858   10.517  249.690   9.8429 -0.000000 0.000000 
1 1 1  -33    0   40 o  235.661   7.2382  379.460   22.901  385.580   34.255  374.515   30.793  237.278   10.703  234.044   9.7475 -0.000000 0.000000 
1 1 1  -33    0   41 o  131.511   10.354  119.862   18.189   0.0000   0.0000  119.862   18.189  131.511   10.354  131.511   10.354 -0.000000 0.000000 
1 1 1  -33    0   42 o   72.566   16.379   40.984   14.051   0.0000   0.0000   40.984   14.051   72.566   16.379   72.566   16.379 -0.000000 0.000000 
1 1 1  -33    0   43 f  156.967   7.3642  168.557   15.442  186.238   23.127  154.334   20.743  164.415   10.478  149.520   10.351 -0.000000 0.000000 
1 1 1  -33    0   44 o   77.494   11.991   45.923   10.966   53.262   16.581   40.218   14.620   83.921   16.362   71.068   17.535 -0.000000 0.000000 
1 1 1  -33    0   45 o  113.055   8.6364   89.284   12.784   98.442   19.376   82.224   17.012  118.237   12.405  107.874   12.019 -0.000000 0.000000 
1 1 1  -33    0   46 o  299.958   7.4948  615.498   30.355  601.560   43.476  628.755   42.401  296.567   10.851  303.350   10.342 -0.000000 0.000000 
1 1 1  -33    0   47 f  407.772   8.4810  1136.62   46.748  1156.32   67.431  1118.40   64.868  411.138   12.127  404.406   11.860 -0.000000 0.000000 
1 1 1  -33    0   48 o  256.240   10.618  449.622   36.727  449.622   36.727   0.0000   0.0000  256.240   10.618  256.240   10.618 -0.000000 0.000000 
1 1 1  -33    0   49 o  337.992   11.243  781.574   51.365  781.574   51.365   0.0000   0.0000  337.992   11.243  337.992   11.243 -0.000000 0.000000 
1 1 1  -33    0   50 o  244.675   7.2737  409.639   23.979  416.492   35.071  403.623   32.860  246.539   10.541  242.811   10.026 -0.000000 0.000000 
1 1 1  -33    0   51 o  340.000   7.8828  791.575   36.205  776.859   51.891  805.533   50.539  336.833   11.398  343.168   10.892 -0.000000 0.000000 
1 1 1  -33    0   52 o  400.573   8.4566  1099.22   45.784  1051.00   64.516  1148.14   64.982  391.617   12.184  409.529   11.731 -0.000000 0.000000 
1 1 1  -33    0   53 o  273.953   7.4467  513.608   27.491  522.008   40.380  506.351   37.533  275.960   10.836  271.946   10.217 -0.000000 0.000000 
1 1 1  -33    0   54 f  134.609   8.1753  127.881   14.461  112.807   21.210  140.976   19.769  126.561   12.657  142.658   10.351 -0.000000 0.000000 
1 1 1  -33    0   55 f  167.989   7.4792  195.088   16.789  192.733   24.899  197.052   22.733  166.879   11.124  169.098   10.001 -0.000000 0.000000 
1 1 1  -33    0   56 o   76.069   12.939   45.390   11.300   49.072   18.324   43.131   14.355   77.580   20.169   74.558   16.212 -0.000000 0.000000 
1 1 1  -33    0   57 o  137.185   8.3162  131.423   14.992  132.649   23.177  130.541   19.659  137.392   12.698  136.978   10.743 -0.000000 0.000000 
1 1 1  -33    0   58 o  421.633   8.7846  1215.20   49.906  1307.31   74.637  1140.72   67.116  435.914   12.659  407.353   12.183 -0.000000 0.000000 
1 1 1  -33    0   59 o  206.234   9.9169  292.583   27.569   0.0000   0.0000  292.583   27.569  206.234   9.9169  206.234   9.9169 -0.000000 0.000000 
1 1 1  -33    0   60 o  180.049   10.063  223.707   24.378   0.0000   0.0000  223.707   24.378  180.049   10.063  180.049   10.063 -0.000000 0.000000 
1 1 1  -33    0   61 o  297.485   7.7404  610.212   31.021  590.226   45.119  628.128   42.719  292.637   11.417  302.333   10.455 -0.000000 0.000000 
1 1 1  -33    0   62 o  293.565   7.7281  593.133   30.537  599.037   45.227  588.186   41.398  294.719   11.363  292.411   10.478 -0.000000 0.000000 
1 1 1  -33    0   63 o   32.484   13.060   8.7565   9.8756  -2.5605   16.381   15.218   12.378   26.675   17.599   38.294   19.300 -0.000000 0.000000 
1 1 1  -33    0   64 o   65.795   13.907   37.758   10.664   35.283   17.246   39.290   13.569   61.272   22.483   70.317   16.377 -0.000000 0.000000 
1 1 1  -33    0   65 o  137.851   12.866  134.732   23.554  134.732   23.554   0.0000   0.0000  137.851   12.866  137.851   12.866 -0.000000 0.000000 
1 1 1  -33    0   66 o   38.937   21.489   15.508   16.508   15.508   16.508   0.0000   0.0000   38.937   21.489   38.937   21.489 -0.000000 0.000000 
1 1 1  -33    0   67 o   27.966   11.852   3.6264   9.2472 -12.6557   15.987   11.812   11.336   22.059   15.309   33.872   18.098 -0.000000 0.000000 
1 1 1  -33    0   68 o   53.221   14.840   27.851   10.264   26.395   16.693   28.735   13.016   50.171   22.748   56.270   19.064 -0.000000 0.000000 
1 1 1  -33    0   69 f  120.226   8.4819  101.284   13.313  114.140   21.068   92.740   17.176  126.320   12.595  114.132   11.364 -0.000000 0.000000 
1 1 1  -33    0   70 o   26.888   11.962   2.2600   8.7104   8.2036   14.782  -0.9015   10.781   31.696   19.055   22.080   14.467 -0.000000 0.000000 
1 1 1  -33    0   71 o   32.241   12.835   4.4482   9.1215   20.952   15.302  -4.6491   11.361   43.923   21.583   20.558   13.897 -0.000000 0.000000 
1 1 1  -33    0   72 o   52.296   14.058   27.495   9.7386   22.003   15.682   30.943   12.425   44.860   21.882   59.731   17.654 -0.000000 0.000000 
1 1 1  -33    0   73 o   63.443   13.481   36.620   10.142   31.263   16.037   40.191   13.093   55.821   22.044   71.064   15.524 -0.000000 0.000000 
1 1 1  -33    0   74 o  177.706   9.8833  221.062   23.632   0.0000   0.0000  221.062   23.632  177.706   9.8833  177.706   9.8833 -0.000000 0.000000 
1 1 1  -33    0   75 o  164.949   9.9397  191.112   22.033   0.0000   0.0000  191.112   22.033  164.949   9.9397  164.949   9.9397 -0.000000 0.000000 
1 1 1  -33    0   76 o  105.446   11.330   80.492   15.717   0.0000   0.0000   80.492   15.717  105.446   11.330  105.446   11.330 -0.000000 0.000000 
1 1 1  -33    0   77 o   39.861   18.859   17.251   11.546   0.0000   0.0000   17.251   11.546   39.861   18.859   39.861   18.859 -0.000000 0.000000 
1 1 1  -33    0   78 f  159.611   9.8839  179.826   21.190   0.0000   0.0000  179.826   21.190  159.611   9.8839  159.611   9.8839 -0.000000 0.000000 
1 1 1  -33    1    1 f  270.238   4.7753  496.383   17.485  502.309   24.970  490.682   24.493  271.816   6.7790  268.659   6.7274 3.157227 9.550559 
1 1 1  -33    1    2 o  212.350   4.5564  306.566   13.105  295.404   18.541  317.709   18.525  208.474   6.5630  216.226   6.3222 -7.751663 9.112784 
1 1 1  -33    1    3 o  200.453   4.5260  273.009   12.291  275.054   17.624  271.073   17.149  201.178   6.4647  199.729   6.3362 1.449554 9.052005 
1 1 1  -33    1    4 o  351.858   5.3117  842.256   25.326  835.922   35.868  848.555   35.766  350.532   7.5508  353.185   7.4727 -2.653564 10.62338 
1 1 1  -33    1    5 o  457.978   7.5640  1433.06   44.340  1433.99   54.438  1431.22   76.426  458.804   8.7557  457.152   12.337 1.652466 15.12796 
1 1 1  -33    1    6 o  192.595   6.5037  252.072   16.974  252.072   16.974   0.0000   0.0000  192.595   6.5037  ?   ?       ?      ? 
1 1 1  -33    1    7 o  166.246   4.6229  187.818   10.415  187.980   14.789  187.658   14.668  166.316   6.5619  166.177   6.5136 0.1390533 9.245862 
1 1 1  -33    1    8 o  247.178   4.7250  415.280   15.826  410.953   22.446  419.557   22.316  245.891   6.7362  248.465   6.6278 -2.573151 9.450071 
1 1 1  -33    1    9 o  269.601   4.8723  493.418   17.788  512.994   25.743  475.529   24.608  274.709   6.9152  264.493   6.8657 10.21539 9.744594 
1 1 1  -33    1   10 o  439.599   7.3559  1302.19   41.104  1367.42   72.705  1271.54   49.833  447.058   12.001  432.140   8.5096 14.91812 14.71182 
1 1 1  -33    1   11 o  297.623   6.1320  607.836   23.404  588.751   39.879  617.863   28.906  293.781   10.017  301.465   7.0756 -7.684387 12.26400 
1 1 1  -33    1   12 o  319.692   10.264  697.398   44.465  697.398   44.465   0.0000   0.0000  319.692   10.264  ?   ?       ?      ? 
1 1 1  -33    1   13 o  317.727   6.1852  690.103   25.134  695.459   30.886  679.602   43.248  319.832   7.1262  315.623   10.111 4.209198 12.37032 
1 1 1  -33    1   14 o  279.001   5.6058  534.203   18.535  539.161   21.566  520.195   36.252  281.786   5.6477  276.216   9.6851 5.570129 11.21151 
1 1 1  -33    1   15 o  215.934   5.3215  321.672   13.685  326.847   15.994  307.531   26.440  219.421   5.3788  212.447   9.1839 6.973892 10.64309 
1 1 1  -33    1   16 o  448.455   6.0729  1369.06   36.902  1343.56   51.757  1395.42   52.628  444.207   8.5981  452.703   8.5787 -8.496582 12.14586 
1 1 1  -33    1   17 o  443.888   6.0275  1341.24   36.253  1362.19   51.723  1321.02   50.829  447.292   8.5331  440.485   8.5152 6.807129 12.05497 
1 1 1  -33    1   18 o  231.567   4.6194  364.153   14.491  375.037   20.784  353.857   20.216  234.933   6.5284  228.202   6.5372 6.731064 9.238740 
1 1 1  -33    1   19 o  280.899   4.8528  536.305   18.472  529.082   26.068  543.591   26.178  278.995   6.8948  282.803   6.8309 -3.807922 9.705657 
1 1 1  -33    1   20 o  311.251   6.2287  659.258   24.675  661.463   43.073  658.181   30.104  311.362   10.208  311.140   7.1397 0.2219238 12.45747 
1 1 1  -33    1   21 o  326.265   6.3549  727.132   26.435  719.361   45.825  731.008   32.362  324.653   10.416  327.877   7.2835 -3.224823 12.70989 
1 1 1  -33    1   22 o  311.345   6.2571  664.474   24.841  647.713   42.885  672.938   30.474  308.087   10.272  314.603   7.1480 -6.516357 12.51415 
1 1 1  -33    1   23 o  445.270   7.4340  1344.26   42.133  1380.30   73.938  1326.93   51.272  449.104   12.149  441.437   8.5709 7.667267 14.86797 
1 1 1  -33    1   24 o  271.675   5.9499  504.407   20.675  496.718   35.573  508.329   25.406  269.886   9.7265  273.464   6.8558 -3.578033 11.89983 
1 1 1  -33    1   25 o  255.165   4.8064  442.555   16.618  442.860   23.675  442.258   23.331  255.246   6.8447  255.084   6.7494 0.1621857 9.612717 
1 1 1  -33    1   26 o  169.086   4.6535  194.365   10.655  185.428   15.037  203.376   15.100  165.171   6.7182  173.002   6.4408 -7.831039 9.306907 
1 1 1  -33    1   27 o  186.887   4.6692  236.866   11.806  256.854   17.099  218.658   16.319  194.415   6.4902  179.359   6.7143 15.05530 9.338328 
1 1 1  -33    1   28 o  463.365   6.2543  1462.49   39.268  1487.60   56.012  1438.21   55.066  467.275   8.8455  459.454   8.8442 7.821228 12.50851 
1 1 1  -33    1   29 o  359.947   6.7215  891.555   30.961  908.748   38.187  858.571   52.891  365.450   7.7109  354.443   11.012 11.00784 13.44308 
1 1 1  -33    1   30 o  191.221   5.8640  253.352   14.297  262.628   17.654  235.673   24.372  196.566   6.6274  185.875   9.6759 10.69153 11.72796 
1 1 1  -33    1   31 o  213.360   4.7757  309.472   13.807  303.948   19.484  315.043   19.567  211.443   6.8000  215.277   6.7074 -3.834259 9.551388 
1 1 1  -33    1   32 o  282.854   5.0078  544.083   19.194  546.133   27.277  542.072   27.016  283.379   7.1029  282.330   7.0611 1.049408 10.01556 
1 1 1  -33    1   33 o  164.541   4.8193  184.015   10.744  188.401   15.352  179.804   15.041  166.462   6.8055  162.619   6.8255 3.843613 9.638541 
1 1 1  -33    1   34 o  158.813   4.8683  171.496   10.476  171.962   14.959  171.048   14.674  159.020   6.9418  158.606   6.8274 0.4136505 9.736647 
1 1 1  -33    1   35 o  269.978   4.9704  495.629   18.183  502.664   25.960  488.855   25.474  271.856   7.0468  268.101   7.0117 3.755310 9.940866 
1 1 1  -33    1   36 o  257.994   4.9661  452.628   17.360  459.340   24.772  446.150   24.336  259.871   7.0344  256.116   7.0117 3.755096 9.932130 
1 1 1  -33    1   37 o  172.042   4.9104  200.887   11.432  216.610   16.559  186.571   15.801  178.469   6.8469  165.615   7.0406 12.85413 9.820901 
1 1 1  -33    1   38 o  222.229   4.9247  335.763   14.827  346.526   21.209  325.476   20.736  225.714   6.9339  218.743   6.9952 6.970642 9.849458 
1 1 1  -33    1   39 o  214.974   5.9727  319.707   16.695  333.169   21.106  297.199   27.290  221.301   7.0378  208.646   9.6520 12.65552 11.94532 
1 1 1  -33    1   40 o  139.892   9.6927  133.627   18.375   0.0000   0.0000  133.627   18.375  ?   ?   139.892   9.6927      ?      ? 
1 1 1  -33    1   41 o  168.463   5.0925  193.153   11.624  191.361   16.525  194.907   16.355  167.683   7.2723  169.244   7.1309 -1.560806 10.18506 
1 1 1  -33    1   42 o  270.166   6.2304  500.653   21.505  489.250   37.002  506.470   26.426  267.526   10.207  272.807   7.1482 -5.280853 12.46076 
1 1 1  -33    1   43 o  182.730   6.1187  228.905   14.264  224.140   24.625  231.311   17.499  181.087   10.035  184.372   7.0040 -3.285690 12.23735 
1 1 1  -33    1   44 o  302.992   5.2615  624.954   21.601  634.359   30.850  615.908   30.255  305.224   7.4585  300.760   7.4233 4.464874 10.52298 
1 1 1  -33    1   45 o  652.186   8.0908  2916.21   71.504  2935.11  101.618  2897.67  100.633  654.266   11.461  650.106   11.423 4.160278 16.18152 
1 1 1  -33    1   46 o  604.645   9.4395  2496.38   72.305  2580.95  128.131  2456.87   87.583  610.376   15.491  598.914   10.791 11.46222 18.87896 
1 1 1  -33    1   47 o   99.490   7.7908   65.854   9.7656   73.277   17.786   62.651   11.684  103.194   12.718   95.786   9.0017 7.408203 15.58170 
1 1 1  -33    1   48 o  276.082   5.1863  519.212   19.402  512.032   27.399  526.435   27.480  274.159   7.3747  278.004   7.2942 -3.845337 10.37263 
1 1 1  -33    1   49 o  195.510   6.2912  251.585   15.484  236.681   18.474  286.788   28.391  186.386   7.3141  204.633   10.238 -18.24704 12.58245 
1 1 1  -33    1   50 f  238.446   6.3835  390.460   19.294  393.974   23.519  383.227   33.741  240.466   7.2174  236.426   10.531 4.039505 12.76699 
1 1 1  -33    1   51 o  352.194   5.6039  846.321   26.745  847.701   37.934  844.957   37.714  352.474   7.9418  351.914   7.9083 0.5606384 11.20778 
1 1 1  -33    1   52 o  176.731   5.2163  212.826   12.484  224.219   17.887  202.005   17.432  181.354   7.2783  172.107   7.4743 9.246597 10.43258 
1 1 1  -33    1   53 f  233.432   5.1327  371.528   16.235  378.961   23.102  364.276   22.819  235.744   7.2314  231.120   7.2859 4.624115 10.26535 
1 1 1  -33    1   54 o  172.964   5.2214  203.960   12.229  192.685   17.055  215.891   17.543  168.031   7.4898  177.897   7.2772 -9.866501 10.44289 
1 1 1  -33    1   55 o  170.018   5.2245  197.260   12.027  208.565   17.168  186.365   16.854  174.824   7.2467  165.212   7.5278 9.612152 10.44903 
1 1 1  -33    1   56 o  196.711   5.1626  264.174   13.761  266.431   19.601  261.979   19.324  197.536   7.3224  195.887   7.2796 1.648514 10.32518 
1 1 1  -33    1   57 o  245.457   5.1955  411.482   17.279  421.710   24.654  401.608   24.224  248.460   7.3223  242.453   7.3728 6.007813 10.39110 
1 1 1  -33    1   58 o  210.931   6.1706  309.738   16.933  322.822   21.431  287.998   27.626  217.342   7.2765  204.521   9.9678 12.82097 12.34114 
1 1 1  -33    1   59 o  187.667   6.1974  243.910   15.166  249.952   19.155  233.762   24.827  191.163   7.3944  184.171   9.9475 6.992996 12.39478 
1 1 1  -33    1   60 o  124.294   7.0390  108.537   11.355   99.304   18.523  114.095   14.372  119.627   11.426  128.962   8.2237 -9.334221 14.07809 
1 1 1  -33    1   61 o  301.888   5.5330  624.713   22.625  633.504   32.576  616.519   31.448  303.900   7.9100  299.877   7.7388 4.023163 11.06606 
1 1 1  -33    1   62 o  226.170   5.2739  350.627   16.163  356.658   22.987  344.731   22.730  228.101   7.4367  224.240   7.4800 3.861511 10.54774 
1 1 1  -33    1   63 o  133.152   5.7250  121.984   10.313  113.540   14.523  130.574   14.648  128.441   8.3442  137.864   7.8406 -9.423080 11.44992 
1 1 1  -33    1   64 o  182.753   7.1484  248.614   15.923  188.857   27.504  278.739   19.528  163.927   12.381  201.578   7.1489 -37.65096 14.29673 
1 1 1  -33    1   65 o  168.753   7.2597  209.750   14.844  170.345   26.472  227.822   17.928  155.387   12.572  182.118   7.2643 -26.73079 14.51948 
1 1 1  -33    1   66 o   92.001   8.6054   54.091   10.018   45.063   11.858   76.596   18.722   80.225   10.908  103.776   13.313 -23.55113 17.21073 
1 1 1  -33    1   67 o  179.827   5.2320  222.729   12.750  222.861   18.050  222.597   18.012  179.878   7.4049  179.775   7.3935 0.1024323 10.46406 
1 1 1  -33    1   68 o   97.937   6.3669   66.799   8.4103   74.869   11.990   58.983   11.800  103.901   8.5159   91.973   9.4674 11.92826 12.73387 
1 1 1  -33    1   69 o   64.401   8.7544   30.713   7.3912   41.028   10.492   20.552   10.414   76.458   10.127   52.343   14.283 24.11554 17.50890 
1 1 1  -33    1   70 o   33.379   9.4097   4.8387   6.4042   4.7035   9.1390   4.9692   8.9769   33.347   13.343   33.411   13.271 -0.6439590E-01 18.81949 
1 1 1  -33    1   71 f  116.589   5.7541   94.604   9.0868   92.570   12.950   96.577   12.754  115.297   8.2882  117.880   7.9840 -2.583336 11.50821 
1 1 1  -33    1   72 o   99.994   6.1774   70.001   8.3680   67.920   11.819   72.094   11.850   98.458   8.8579  101.529   8.6126 -3.071259 12.35475 
1 1 1  -33    1   73 o   58.787   9.5876   27.714   7.8031   35.834   10.150   15.979   12.202   70.902   10.564   46.672   16.003 24.22939 19.17520 
1 1 1  -33    1   74 o   61.985   9.5274   28.305   7.6553   23.989   9.7884   35.103   12.284   56.141   13.105   67.829   13.833 -11.68774 19.05485 
1 1 1  -33    1   75 o   36.359   10.182   6.2669   7.6426   10.727   10.790   1.7772   10.826   40.250   14.905   32.468   13.876 7.782524 20.36451 
1 1 1  -33    1   76 o   97.305   8.0746   68.809   10.561   80.498   15.291   58.147   14.604  105.616   10.684   88.993   12.110 16.62334 16.14925 
1 1 1  -33    1   77 o  132.826   7.2484  127.037   13.030  135.762   18.662  118.736   18.202  137.450   10.019  128.201   10.477 9.249542 14.49675 
1 1 1  -33    1   78 o  203.168   6.9995  297.165   19.265  291.308   27.360  302.924   27.132  201.005   10.045  205.330   9.7508 -4.325302 13.99902 
1 1 1  -33    1   79 o  116.184   10.724   98.470   16.884   0.0000   0.0000   98.470   16.884  ?   ?   116.184   10.724      ?      ? 
1 1 1  -33    2    1 o   94.110   6.4601   61.600   7.5621   57.253   13.494   63.590   9.1305   91.518   10.881   96.701   6.9676 -5.182907 12.92029 
1 1 1  -33    2    2 o  225.460   5.5266  335.790   15.752  374.102   28.532  318.995   18.891  234.274   8.9873  216.646   6.4346 17.62791 11.05329 
1 1 1  -33    2    3 f  384.615   7.7834  1006.76   40.568   0.0000   0.0000  1006.76   40.568  ?   ?   384.615   7.7834      ?      ? 
1 1 1  -33    2    4 o  445.796   6.0524  1353.68   36.560  1330.29   51.565  1377.32   51.844  441.910   8.6107  449.681   8.5077 -7.771912 12.10472 
1 1 1  -33    2    5 o  242.505   5.7325  393.800   17.794  381.059   21.674  420.140   31.163  236.761   6.7553  248.249   9.2635 -11.48843 11.46498 
1 1 1  -33    2    6 o  425.709   7.2802  1246.24   39.807  1266.38   49.248  1208.27   67.609  431.233   8.4274  420.185   11.874 11.04779 14.56031 
1 1 1  -33    2    7 o  342.192   6.4803  795.116   28.371  789.096   34.743  807.166   49.154  340.583   7.5277  343.802   10.550 -3.218750 12.96055 
1 1 1  -33    2    8 o  330.339   6.3996  739.896   27.012  732.522   33.015  754.828   46.980  328.169   7.4239  332.508   10.426 -4.338440 12.79929 
1 1 1  -33    2    9 o  434.420   6.0102  1285.12   35.380  1286.63   50.302  1283.64   49.772  434.663   8.5398  434.177   8.4594 0.4853516 12.02039 
1 1 1  -33    2   10 f  541.902   9.8487  2003.07   72.324  2003.07   72.324   0.0000   0.0000  541.902   9.8487  ?   ?       ?      ? 
1 1 1  -33    2   11 o  384.652   7.9859  1006.91   41.627  1006.91   41.627   0.0000   0.0000  384.652   7.9859  ?   ?       ?      ? 
1 1 1  -33    2   12 o  406.414   6.6708  1151.64   32.286  1181.58   37.841  1071.53   61.901  416.954   6.6971  395.873   11.539 21.08188 13.34152 
1 1 1  -33    2   13 o  384.056   6.4105  1012.02   29.160  1019.62   33.907  990.454   57.143  387.369   6.4592  380.742   11.075 6.627380 12.82103 
1 1 1  -33    2   14 o  216.009   5.2719  317.128   13.556  316.889   15.771  317.805   26.527  216.047   5.3869  215.970   9.0637 0.7731628E-01 10.54372 
1 1 1  -33    2   15 o  265.481   5.5078  480.979   17.406  482.592   20.270  476.451   33.961  266.594   5.6108  264.369   9.4796 2.224365 11.01566 
1 1 1  -33    2   16 o  295.572   5.7448  603.604   20.273  614.063   23.735  575.393   38.980  300.698   5.8248  290.446   9.9037 10.25244 11.48968 
1 1 1  -33    2   17 o  295.286   5.7479  604.663   20.302  617.980   23.825  569.354   38.795  301.655   5.8282  288.916   9.9088 12.73880 11.49570 
1 1 1  -33    2   18 o  269.246   5.7878  486.598   19.878  513.557   34.970  473.728   24.161  274.484   9.4014  264.008   6.7533 10.47678 11.57556 
1 1 1  -33    2   19 f  214.154   5.5732  312.157   15.246  311.767   26.396  312.352   18.676  213.903   9.1061  214.405   6.4279 -0.5025482 11.14630 
1 1 1  -33    2   20 o  387.938   6.8428  1023.92   33.859  1033.08   58.931  1019.41   41.368  388.817   11.184  387.060   7.8870 1.757019 13.68558 
1 1 1  -33    2   21 o  419.817   5.8497  1199.51   33.275  1173.30   46.686  1226.56   47.439  415.152   8.2985  424.482   8.2470 -9.330261 11.69948 
1 1 1  -33    2   22 f  398.236   5.6886  1079.35   30.699  1079.58   43.540  1079.12   43.291  398.273   8.0673  398.199   8.0225 0.7379150E-01 11.37724 
1 1 1  -33    2   23 o  540.059   8.4991  1991.12   58.420  2010.12  102.080  1981.86   71.239  541.059   13.922  539.060   9.7521 1.999146 16.99817 
1 1 1  -33    2   24 o  420.507   7.2372  1209.07   38.800  1200.18   67.305  1213.50   47.484  418.826   11.859  422.188   8.2996 -3.362701 14.47437 
1 1 1  -33    2   25 o  324.910   5.1938  717.437   22.859  739.597   32.875  696.693   31.807  329.762   7.3568  320.058   7.3334 9.703918 10.38753 
1 1 1  -33    2   26 o  353.729   5.3847  851.079   25.809  864.397   36.838  838.240   36.170  356.444   7.6264  351.014   7.6039 5.430298 10.76945 
1 1 1  -33    2   27 o  431.798   5.9921  1269.49   35.058  1288.21   50.052  1251.46   49.121  434.917   8.4924  428.678   8.4557 6.238800 11.98411 
1 1 1  -33    2   28 o  240.146   4.7987  391.991   15.615  395.383   22.292  388.724   21.878  241.162   6.8212  239.131   6.7514 2.031265 9.597432 
1 1 1  -33    2   29 o  455.632   6.2079  1413.44   38.316  1455.26   55.108  1374.32   53.310  462.145   8.7994  449.120   8.7592 13.02438 12.41585 
1 1 1  -33    2   30 o  390.142   5.6874  1036.19   30.068  1039.17   42.730  1033.28   42.319  390.691   8.0707  389.594   8.0157 1.097351 11.37490 
1 1 1  -33    2   31 o  233.268   5.9240  370.862   17.640  371.371   21.599  369.842   30.568  233.712   6.8197  232.824   9.6884 0.8878479 11.84792 
1 1 1  -33    2   32 o  103.500   6.8465   73.256   9.0629   73.596   11.129   72.588   15.616  103.977   7.8982  103.022   11.186 0.9548492 13.69297 
1 1 1  -33    2   33 o   98.316   5.7725   65.354   7.5890   81.572   11.238   51.756   10.290  109.484   7.5743   87.148   8.7130 22.33586 11.54496 
1 1 1  -33    2   34 o  116.129   5.3129   91.659   8.3556   95.258   12.076   88.353   11.573  118.312   7.5320  113.946   7.4951 4.366196 10.62579 
1 1 1  -33    2   35 o  171.152   4.8432  199.166   11.229  200.507   16.131  197.905   15.640  171.703   6.9325  170.601   6.7650 1.102692 9.686347 
1 1 1  -33    2   36 o  139.622   6.0744  134.983   11.046  141.229   14.010  124.724   17.956  144.081   7.1754  135.163   9.8034 8.917328 12.14878 
1 1 1  -33    2   37 o  160.279   5.9372  175.414   12.406  176.419   15.577  173.672   20.514  161.032   7.1380  159.525   9.4895 1.507233 11.87439 
1 1 1  -33    2   38 o  264.406   5.0935  475.707   18.249  474.173   25.948  477.208   25.670  263.977   7.2536  264.836   7.1527 -0.8588257 10.18708 
1 1 1  -33    2   39 o  270.266   5.1259  496.579   18.764  513.139   27.065  481.252   26.037  274.597   7.2733  265.936   7.2249 8.661163 10.25187 
1 1 1  -33    2   40 o  205.244   4.9765  286.246   13.832  296.723   20.018  276.673   19.134  208.829   7.0736  201.658   7.0018 7.170319 9.952909 
1 1 1  -33    2   41 o  310.253   5.2765  653.760   22.157  688.176   32.315  623.226   30.439  317.933   7.5005  302.572   7.4236 15.36035 10.55308 
1 1 1  -33    2   42 o  164.027   5.0632  183.126   11.244  182.745   16.252  183.476   15.571  163.847   7.3197  164.207   6.9977 -0.3603363 10.12649 
1 1 1  -33    2   43 o  321.050   5.3641  701.968   23.332  701.081   33.347  702.819   32.656  320.833   7.6700  321.267   7.5010 -0.4338684 10.72815 
1 1 1  -33    2   44 o  251.854   7.0798  431.734   24.163   0.0000   0.0000  431.734   24.163  ?   ?   251.854   7.0798      ?      ? 
1 1 1  -33    2   45 o  146.615   6.6381  143.338   12.157  155.884   22.389  138.092   14.477  150.841   10.953  142.389   7.5029 8.452377 13.27616 
1 1 1  -33    2   46 o  212.334   5.0307  306.571   14.465  317.049   20.956  297.036   19.991  215.787   7.1664  208.880   7.0623 6.906815 10.06143 
1 1 1  -33    2   47 o  220.774   5.0501  331.874   15.105  333.603   21.616  330.224   21.117  221.326   7.2072  220.223   7.0760 1.103546 10.10013 
1 1 1  -33    2   48 o  370.739   5.7180  937.236   28.722  950.939   41.087  924.139   40.168  373.379   8.1203  368.100   8.0526 5.278778 11.43602 
1 1 1  -33    2   49 o  323.647   5.4493  712.593   23.873  755.877   34.691  673.654   32.903  332.967   7.6883  314.327   7.7245 18.64035 10.89851 
1 1 1  -33    2   50 o  191.232   6.6755  257.389   15.868  269.560   19.238  231.486   28.066  198.904   7.1373  183.560   11.283 15.34343 13.35093 
1 1 1  -33    2   51 f  150.208   7.1879  162.757   13.139  175.189   15.840  135.338   23.523  160.310   7.2912  140.107   12.390 20.20390 14.37583 
1 1 1  -33    2   52 o  206.075   5.1204  289.367   14.292  302.264   20.471  277.103   19.963  210.564   7.1743  201.587   7.3076 8.977325 10.24071 
1 1 1  -33    2   53 o  157.853   5.3406  170.155   11.415  163.146   16.191  177.083   16.097  154.592   7.7287  161.114   7.3726 -6.521774 10.68116 
1 1 1  -33    2   54 o  137.237   5.5894  128.588   10.391  132.115   14.925  125.270   14.476  139.060   7.9203  135.414   7.8888 3.646011 11.17872 
1 1 1  -33    2   55 o  254.705   5.1792  442.935   17.872  431.649   25.258  454.252   25.293  251.432   7.4131  257.978   7.2349 -6.545883 10.35843 
1 1 1  -33    2   56 o  264.005   5.2466  476.147   18.769  472.387   26.601  479.875   26.487  262.953   7.4652  265.056   7.3740 -2.102539 10.49313 
1 1 1  -33    2   57 o  172.860   6.1121  200.543   13.907  187.840   17.452  222.640   23.018  165.712   7.7715  180.008   9.4360 -14.29561 12.22428 
1 1 1  -33    2   58 o  129.755   5.7709  115.335   10.146  117.701   14.444  113.031   14.255  131.073   8.1322  128.436   8.1902 2.636459 11.54176 
1 1 1  -33    2   59 o  177.606   5.1916  215.949   12.485  206.766   17.715  225.010   17.597  173.810   7.5212  181.402   7.1585 -7.591339 10.38327 
1 1 1  -33    2   60 o  118.119   5.9797   95.872   9.5646   94.383   13.725   97.277   13.336  117.192   8.6423  119.046   8.2668 -1.854225 11.95950 
1 1 1  -33    2   61 o  103.935   7.4032   73.698   10.027   78.961   16.887   70.832   12.462  106.474   11.704  101.396   9.0694 5.077286 14.80637 
1 1 1  -33    2   62 o   82.764   7.2752   47.278   8.0763   57.177   11.842   38.668   11.043   90.950   9.6078   74.578   10.927 16.37206 14.55043 
1 1 1  -33    2   63 o  173.721   6.8626  212.585   14.678  200.007   26.677  218.046   17.578  169.151   11.638  178.290   7.2756 -9.138260 13.72515 
1 1 1  -33    2   64 o  206.272   6.5729  289.487   16.893  307.553   31.038  281.882   20.137  209.941   10.910  202.604   7.3343 7.336807 13.14581 
1 1 1  -33    2   65 o  192.729   5.1744  255.314   13.514  254.479   19.175  256.139   19.048  192.402   7.3542  193.056   7.2809 -0.6540985 10.34874 
1 1 1  -33    2   66 o   79.937   9.9547   47.153   9.4448   48.108   11.220   44.828   17.497   83.076   9.9661   76.798   17.236 6.278137 19.90949 
1 1 1  -33    2   67 o   71.330   10.576   38.869   9.1821   40.852   10.901   34.025   17.037   76.339   10.537   66.321   18.340 10.01839 21.15189 
1 1 1  -33    2   68 o   65.915   8.4588   31.721   7.2929   25.091   10.384   38.176   10.245   58.055   13.461   73.776   10.248 -15.72080 16.91755 
1 1 1  -33    2   69 o   35.273   9.5742   6.1821   6.4998   9.5686   9.5529   3.2629   8.8694   38.850   14.083   31.695   12.975 7.154930 19.14836 
1 1 1  -33    2   70 o   55.239   9.2561   22.903   6.9272   29.160   9.8716   16.832   9.7232   62.970   12.007   47.509   14.090 15.46109 18.51214 
1 1 1  -33    2   71 o  119.734   5.7482   99.978   9.3075   93.732   13.255  106.055   13.073  115.914   8.4382  123.554   7.8079 -7.640160 11.49638 
1 1 1  -33    2   72 o  101.089   6.1071   71.550   8.3646   71.786   11.728   71.306   11.933  101.294   8.5442  100.885   8.7285 0.4087372 12.21429 
1 1 1  -33    2   73 o   80.133   9.0047   52.428   8.6014   68.512   11.232   29.623   13.375   98.906   8.3804   61.360   15.941 37.54523 18.00948 
1 1 1  -33    2   74 o   97.359   8.7280   69.350   11.307   68.602   17.630   69.873   14.737   96.205   13.523   98.513   11.039 -2.308136 17.45602 
1 1 1  -33    2   75 o   37.953   14.626   8.5670   10.630   0.0000   0.0000   8.5670   10.630  ?   ?    37.953   14.626      ?      ? 
1 1 1  -33    2   76 o  131.754   7.2792  124.799   12.983  126.622   18.842  123.151   17.916  132.521   10.492  130.987   10.093 1.534332 14.55839 
1 1 1  -33    2   77 o   79.697   9.2152   47.850   9.7259   52.270   14.111   43.850   13.424   83.950   12.403   75.444   13.632 8.505470 18.43046 
1 1 1  -33    2   78 o  172.124   9.7240  213.005   22.681   0.0000   0.0000  213.005   22.681  ?   ?   172.124   9.7240      ?      ? 
1 1 1  -33    2   79 o   83.155   11.958   51.386   13.475   0.0000   0.0000   51.386   13.475  ?   ?    83.155   11.958      ?      ? 
1 1 1  -33    3    1 o  182.613   5.3937  227.264   12.825  228.059   16.069  225.869   21.289  183.168   6.4736  182.059   8.6290 1.108719 10.78741 
1 1 1  -33    3    2 o  286.595   4.8657  557.549   18.873  577.061   27.556  540.313   25.900  291.294   6.9808  281.896   6.7800 9.398102 9.731432 
1 1 1  -33    3    3 f  171.295   4.5049  199.220   10.436  202.408   15.306  196.451   14.265  172.559   6.5456  170.030   6.1912 2.529449 9.009734 
1 1 1  -33    3    4 o  163.754   4.5418  181.842   10.060  188.739   14.773  175.876   13.738  166.634   6.5421  160.874   6.3017 5.759949 9.083510 
1 1 1  -33    3    5 o  237.436   4.6550  382.680   14.962  394.122   21.773  372.444   20.595  240.783   6.6729  234.088   6.4922 6.695160 9.309958 
1 1 1  -33    3    6 o  285.736   4.8862  555.212   18.910  552.655   27.158  557.618   26.346  285.080   7.0298  286.392   6.7884 -1.311981 9.772429 
1 1 1  -33    3    7 o  347.614   5.2976  821.472   24.939  838.364   36.047  805.963   34.540  351.023   7.5780  344.205   7.4049 6.817596 10.59521 
1 1 1  -33    3    8 o  249.999   4.7568  423.357   16.084  450.100   23.651  400.345   21.939  257.311   6.7828  242.686   6.6710 14.62512 9.513563 
1 1 1  -33    3    9 o  183.315   5.8017  228.605   13.222  229.255   24.100  228.325   15.814  183.326   9.7010  183.303   6.3663 0.2268982E-01 11.60342 
1 1 1  -33    3   10 o  267.135   6.7723  485.101   24.516  485.101   24.516   0.0000   0.0000  267.135   6.7723  ?   ?       ?      ? 
1 1 1  -33    3   11 o  382.376   7.8649  995.024   40.754  995.024   40.754   0.0000   0.0000  382.376   7.8649  ?   ?       ?      ? 
1 1 1  -33    3   12 o  353.990   7.5752  852.489   36.338  852.489   36.338   0.0000   0.0000  353.990   7.5752  ?   ?       ?      ? 
1 1 1  -33    3   13 o  144.803   5.6515  146.755   10.513  157.006   13.214  129.077   17.353  152.004   6.4151  137.603   9.3061 14.40044 11.30294 
1 1 1  -33    3   14 o  181.346   5.2623  229.353   11.432  236.253   13.457  211.456   21.672  186.544   5.3233  176.149   9.0791 10.39453 10.52465 
1 1 1  -33    3   15 o  236.875   6.8591  381.436   22.017  381.436   22.017   0.0000   0.0000  236.875   6.8591  ?   ?       ?      ? 
1 1 1  -33    3   16 o  170.305   5.3174  198.656   10.735  200.131   12.486  194.479   21.017  171.689   5.3668  168.920   9.1814 2.768921 10.63486 
1 1 1  -33    3   17 o  171.340   5.2211  201.286   10.781  203.245   12.665  196.130   20.546  173.018   5.4018  169.662   8.9364 3.355423 10.44213 
1 1 1  -33    3   18 o  229.059   5.3204  360.953   14.648  365.809   17.197  348.116   27.959  232.111   5.4672  226.007   9.1290 6.104858 10.64090 
1 1 1  -33    3   19 o  187.415   5.2217  241.530   11.825  244.808   13.926  233.060   22.385  189.885   5.4121  184.946   8.9316 4.938812 10.44341 
1 1 1  -33    3   20 o  150.907   4.6030  154.881   9.4057  149.449   13.393  160.168   13.213  148.283   6.6649  153.531   6.3505 -5.247528 9.205973 
1 1 1  -33    3   21 o  356.932   5.3785  866.634   26.012  873.889   37.132  859.642   36.452  358.392   7.6455  355.473   7.5671 2.918488 10.75708 
1 1 1  -33    3   22 o  372.033   5.4892  941.677   27.671  950.417   39.508  933.261   38.767  373.720   7.8011  370.347   7.7245 3.372803 10.97845 
1 1 1  -33    3   23 o  261.775   4.8026  465.791   17.033  468.030   24.362  463.649   23.825  262.383   6.8516  261.167   6.7318 1.215973 9.605292 
1 1 1  -33    3   24 o  185.850   4.6160  234.524   11.618  240.895   16.799  228.683   16.086  188.262   6.5846  183.438   6.4709 4.824081 9.231939 
1 1 1  -33    3   25 o  255.138   5.9373  443.329   19.141  443.246   33.850  443.369   23.208  254.886   9.7999  255.389   6.7058 -0.5028992 11.87461 
1 1 1  -33    3   26 o  370.697   6.8165  938.116   32.113  935.223   56.118  939.525   39.159  369.838   11.197  371.557   7.7771 -1.719025 13.63301 
1 1 1  -33    3   27 o  296.937   5.0476  599.787   20.306  586.112   28.780  613.342   28.654  293.551   7.2348  300.323   7.0406 -6.772034 10.09520 
1 1 1  -33    3   28 o  237.861   4.7828  384.462   15.408  389.854   22.228  379.475   21.376  239.455   6.8501  236.266   6.6765 3.188507 9.565526 
1 1 1  -33    3   29 o  165.323   4.7467  185.133   10.614  197.372   15.607  174.603   14.477  170.384   6.7595  160.262   6.6660 10.12131 9.493443 
1 1 1  -33    3   30 o  181.692   4.7202  224.426   11.614  224.510   16.746  224.348   16.121  181.713   6.8003  181.671   6.5481 0.4286194E-01 9.440453 
1 1 1  -33    3   31 o  294.379   5.0597  589.465   20.182  589.351   28.766  589.575   28.323  294.342   7.2117  294.417   7.0989 -0.7406616E-01 10.11944 
1 1 1  -33    3   32 o  186.688   4.7679  236.905   12.055  238.909   17.388  235.050   16.728  187.438   6.8454  185.938   6.6388 1.499878 9.535887 
1 1 1  -33    3   33 o  209.279   6.8758  297.852   19.500  297.852   19.500   0.0000   0.0000  209.279   6.8758  ?   ?       ?      ? 
1 1 1  -33    3   34 o  307.796   7.3540  644.651   30.674  644.651   30.674   0.0000   0.0000  307.796   7.3540  ?   ?       ?      ? 
1 1 1  -33    3   35 o   84.186   6.5512   48.077   7.3681   60.195   10.874   37.791   10.019   93.982   8.5383   74.390   9.9382 19.59224 13.10232 
1 1 1  -33    3   36 o  175.918   4.9789  210.635   11.855  208.209   17.130  212.865   16.425  174.927   7.2263  176.910   6.8511 -1.982681 9.957775 
1 1 1  -33    3   37 o  252.646   7.2002  434.333   24.651  434.333   24.651   0.0000   0.0000  252.646   7.2002  ?   ?       ?      ? 
1 1 1  -33    3   38 o  245.993   5.0329  411.836   16.764  409.246   24.143  414.247   23.296  245.224   7.2653  246.761   6.9667 -1.537399 10.06576 
1 1 1  -33    3   39 o  551.428   7.1206  2077.51   53.201  2103.07   76.060  2053.02   74.441  554.726   10.118  548.130   10.022 6.595825 14.24122 
1 1 1  -33    3   40 o  373.869   5.6905  951.902   28.819  968.129   41.460  936.731   40.087  376.932   8.1169  370.805   7.9777 6.127075 11.38097 
1 1 1  -33    3   41 o  259.910   5.0644  459.009   17.820  476.719   25.921  443.138   24.538  264.645   7.2277  255.175   7.0961 9.470230 10.12889 
1 1 1  -33    3   42 o  323.627   6.6613  712.692   27.219  722.399   48.353  708.189   32.932  324.776   10.986  322.478   7.5360 2.298279 13.32266 
1 1 1  -33    3   43 o  253.304   6.2530  433.197   19.881  450.214   35.924  425.685   23.869  256.523   10.334  250.084   7.0431 6.438782 12.50602 
1 1 1  -33    3   44 o  238.208   5.0543  386.849   16.287  375.073   23.514  397.709   22.581  234.679   7.3938  241.737   6.8931 -7.058289 10.10851 
1 1 1  -33    3   45 o  242.387   6.1939  402.635   19.135  396.180   33.137  405.864   23.437  240.616   10.163  244.157   7.0836 -3.540787 12.38785 
1 1 1  -33    3   46 o  290.320   5.2518  574.246   20.656  557.337   29.135  591.336   29.290  286.004   7.5174  294.637   7.3360 -8.633484 10.50368 
1 1 1  -33    3   47 o  306.318   5.3273  639.475   22.112  637.654   31.433  641.260   31.112  305.875   7.5832  306.762   7.4843 -0.8868713 10.65456 
1 1 1  -33    3   48 o  267.053   5.1733  486.021   18.718  474.345   26.458  497.720   26.484  263.824   7.4006  270.282   7.2307 -6.457581 10.34658 
1 1 1  -33    3   49 o  178.400   5.1681  216.625   12.486  226.576   18.031  207.459   17.306  182.332   7.2977  174.467   7.3198 7.864304 10.33616 
1 1 1  -33    3   50 o  205.680   5.1129  288.311   14.247  290.396   20.399  286.327   19.908  206.395   7.2934  204.965   7.1674 1.429810 10.22571 
1 1 1  -33    3   51 o  177.909   6.7871  224.245   15.023  237.266   18.287  197.213   26.347  186.545   7.2339  169.273   11.486 17.27269 13.57414 
1 1 1  -33    3   52 o  317.887   5.4349  689.795   23.411  680.296   33.078  699.329   33.139  315.680   7.7323  320.094   7.6396 -4.413971 10.86982 
1 1 1  -33    3   53 o  383.517   5.8468  1004.70   30.373  1039.10   43.754  972.699   42.195  389.843   8.2822  377.191   8.2550 12.65125 11.69357 
1 1 1  -33    3   54 o  222.656   5.1384  338.445   15.501  335.128   22.076  341.671   21.771  221.561   7.3525  223.752   7.1800 -2.191422 10.27676 
1 1 1  -33    3   55 o  176.158   6.1176  211.557   14.160  208.416   17.895  216.818   23.160  174.645   7.5612  177.670   9.6192 -3.024612 12.23520 
1 1 1  -33    3   56 o  298.266   6.3963  612.059   24.792  616.045   31.018  605.009   41.252  300.161   7.6258  296.370   10.271 3.791382 12.79261 
1 1 1  -33    3   57 o  133.963   5.6396  122.674   10.229  128.895   14.828  117.025   14.130  137.198   7.9752  130.729   7.9759 6.469818 11.27911 
1 1 1  -33    3   58 o  182.324   5.1742  227.531   12.774  218.090   18.122  236.854   18.008  178.521   7.4908  186.127   7.1397 -7.605423 10.34835 
1 1 1  -33    3   59 o  197.987   5.1366  267.999   13.775  277.166   19.844  259.474   19.137  201.248   7.2762  194.725   7.2522 6.522491 10.27315 
1 1 1  -33    3   60 o  213.486   5.1862  312.233   14.998  309.192   21.440  315.147   20.989  212.433   7.4476  214.540   7.2195 -2.107254 10.37244 
1 1 1  -33    3   61 o  183.137   6.2146  229.230   14.659  236.867   25.133  225.292   18.047  184.979   10.026  181.295   7.3459 3.683624 12.42928 
1 1 1  -33    3   62 f  138.361   7.3137  131.189   12.319  136.881   23.425  129.013   14.483  139.691   12.374  137.031   7.7996 2.659882 14.62736 
1 1 1  -33    3   63 o  169.108   5.3065  196.212   12.150  202.364   17.633  190.650   16.766  171.605   7.5824  166.612   7.4259 4.992950 10.61304 
1 1 1  -33    3   64 o  144.261   5.4546  143.664   10.628  132.499   15.193  154.363   14.872  138.645   8.0863  149.877   7.3226 -11.23238 10.90913 
1 1 1  -33    3   65 o  182.572   5.2128  229.570   12.877  215.299   18.223  243.805   18.200  176.809   7.6054  188.335   7.1310 -11.52521 10.42563 
1 1 1  -33    3   66 o  112.099   6.0863   86.742   9.2015   99.297   13.427   75.626   12.635  119.813   8.2700  104.384   8.9319 15.42944 12.17259 
1 1 1  -33    3   67 o  136.392   7.1804  126.152   12.314  119.533   14.711  141.650   22.509  131.359   8.2642  141.426   11.745 -10.06697 14.36084 
1 1 1  -33    3   68 o  163.545   6.3485  188.528   13.579  195.421   17.297  177.454   21.923  168.130   7.5917  158.960   10.177 9.170670 12.69694 
1 1 1  -33    3   69 o  136.783   7.8409  133.277   14.362  128.109   21.776  137.255   19.106  133.905   12.001  139.661   10.095 -5.756226 15.68188 
1 1 1  -33    3   70 o   90.619   6.6562   57.815   8.1463   53.667   11.680   61.743   11.368   87.287   9.8743   93.951   8.9286 -6.664322 13.31244 
1 1 1  -33    3   71 o   50.593   10.361   19.155   7.4125   17.399   9.6061   21.739   11.654   48.014   13.941   53.172   15.331 -5.158077 20.72125 
1 1 1  -33    3   72 o  126.687   6.4503  112.893   10.734  112.650   13.617  113.292   17.444  127.097   7.9061  126.277   10.194 0.8198624 12.90053 
1 1 1  -33    3   73 o  108.714   6.8434   83.703   9.8171   83.253   12.538   84.417   15.782  108.895   8.4967  108.533   10.730 0.3617477 13.68679 
1 1 1  -33    3   74 o  119.770   6.8478  104.949   10.696  116.532   13.935   88.345   16.685  128.966   7.9736  110.574   11.135 18.39188 13.69568 
1 1 1  -33    3   75 o  106.699   7.8200   82.503   11.292   82.642   16.397   82.377   15.572  106.599   11.351  106.799   10.760 -0.2000046 15.64009 
1 1 1  -33    3   76 o  141.041   7.2472  142.674   13.808  159.285   20.214  128.143   18.906  148.891   10.019  133.191   10.475 15.69905 14.49448 
1 1 1  -33    3   77 o   78.111   12.540   45.461   13.273   0.0000   0.0000   45.461   13.273  ?   ?    78.111   12.540      ?      ? 
1 1 1  -33    3   78 o  156.660   9.7986  176.898   20.802   0.0000   0.0000  176.898   20.802  ?   ?   156.660   9.7986      ?      ? 
1 1 1  -33    3   79 o  162.822   9.8409  191.694   21.714   0.0000   0.0000  191.694   21.714  ?   ?   162.822   9.8409      ?      ? 
1 1 1  -33    4    1 o  169.523   4.4580  194.788   10.199  201.111   15.230  189.648   13.732  171.990   6.5345  167.055   6.0659 4.934448 8.915988 
1 1 1  -33    4    2 o  136.086   4.5989  125.817   8.4337  126.676   12.631  125.126   11.329  136.481   6.8295  135.690   6.1610 0.7911530 9.197862 
1 1 1  -33    4    3 o  131.240   4.6539  117.321   8.2280  114.965   12.255  119.253   11.102  130.013   6.9559  132.468   6.1847 -2.454758 9.307782 
1 1 1  -33    4    4 o  227.989   4.5947  352.742   14.163  361.845   20.850  344.943   19.299  230.695   6.6695  225.282   6.3217 5.413010 9.189444 
1 1 1  -33    4    5 o  284.686   5.8984  553.697   21.875  558.059   27.454  546.113   36.200  286.439   7.0729  282.934   9.4415 3.505005 11.79690 
1 1 1  -33    4    6 o  185.395   5.5018  238.183   13.360  252.473   17.152  216.133   21.305  192.717   6.5676  178.074   8.8287 14.64297 11.00360 
1 1 1  -33    4    7 f  234.243   4.6937  372.488   14.874  381.724   21.780  364.414   20.363  236.943   6.7830  231.543   6.4897 5.400681 9.387494 
1 1 1  -33    4    8 o  332.474   5.2062  751.378   23.433  765.723   34.035  738.450   32.311  335.466   7.4867  329.483   7.2365 5.983215 10.41240 
1 1 1  -33    4    9 f  286.879   5.5667  565.388   19.105  571.396   22.354  549.109   36.798  290.048   5.6874  283.710   9.5712 6.337677 11.13343 
1 1 1  -33    4   10 o  294.419   5.5828  587.976   19.613  585.686   22.831  594.428   38.317  293.648   5.7374  295.189   9.5787 -1.541718 11.16551 
1 1 1  -33    4   11 o  182.246   5.0587  227.908   11.154  230.429   13.138  221.399   21.109  184.225   5.2626  180.268   8.6410 3.957596 10.11739 
1 1 1  -33    4   12 o  176.608   5.1199  217.055   10.934  223.420   12.939  201.155   20.451  181.402   5.2634  171.814   8.7836 9.587860 10.23988 
1 1 1  -33    4   13 o  312.596   5.7498  668.385   21.489  671.909   25.100  658.712   41.584  314.505   5.8894  310.687   9.8769 3.817535 11.49950 
1 1 1  -33    4   14 o  217.336   5.4064  320.732   15.923  320.732   15.923   0.0000   0.0000  217.336   5.4064  ?   ?       ?      ? 
1 1 1  -33    4   15 o  312.651   5.9072  664.018   25.028  664.018   25.028   0.0000   0.0000  312.651   5.9072  ?   ?       ?      ? 
1 1 1  -33    4   16 o  382.594   6.4010  1021.89   29.462  1052.25   34.765  944.528   55.497  393.469   6.5200  371.719   11.017 21.75015 12.80191 
1 1 1  -33    4   17 o  383.551   6.3879  1015.75   29.392  1031.34   34.490  974.405   56.173  389.537   6.5338  377.564   10.979 11.97318 12.77583 
1 1 1  -33    4   18 o  304.927   5.8304  654.334   21.496  682.762   25.539  585.265   39.808  317.028   5.9446  292.826   10.032 24.20285 11.66085 
1 1 1  -33    4   19 o  212.583   5.4371  320.787   13.954  338.920   16.627  277.601   25.661  223.405   5.4922  201.762   9.3853 21.64322 10.87417 
1 1 1  -33    4   20 o  323.587   7.5594  712.445   33.148  712.445   33.148   0.0000   0.0000  323.587   7.5594  ?   ?       ?      ? 
1 1 1  -33    4   21 o  180.613   5.5765  221.535   13.649  221.535   13.649   0.0000   0.0000  180.613   5.5765  ?   ?       ?      ? 
1 1 1  -33    4   22 o  180.902   4.5988  222.504   11.265  220.483   16.222  224.386   15.654  180.096   6.6470  181.708   6.3572 -1.612167 9.197669 
1 1 1  -33    4   23 o  298.905   5.0148  606.318   20.289  635.627   29.574  580.257   27.887  305.707   7.1387  292.103   7.0449 13.60416 10.02955 
1 1 1  -33    4   24 o  288.231   4.9640  564.824   19.379  569.502   27.901  560.463   26.937  289.370   7.1151  287.093   6.9239 2.276855 9.928004 
1 1 1  -33    4   25 o  333.626   5.2476  757.312   23.720  756.371   33.871  758.218   33.229  333.409   7.4967  333.844   7.3449 -0.4348450 10.49512 
1 1 1  -33    4   26 o  232.160   4.7235  366.339   14.853  369.133   21.385  363.736   20.645  233.004   6.7726  231.316   6.5861 1.687805 9.446929 
1 1 1  -33    4   27 o  188.262   5.8122  241.279   13.731  241.660   24.606  241.106   16.547  188.188   9.6485  188.336   6.4833 -0.1479340 11.62437 
1 1 1  -33    4   28 o  282.826   6.1810  551.021   22.173  528.240   38.502  562.325   27.122  278.104   10.216  287.549   6.9604 -9.445190 12.36210 
1 1 1  -33    4   29 o  225.996   5.6963  348.320   16.757  349.685   20.987  345.921   27.831  226.767   6.8296  225.226   9.1184 1.540497 11.39253 
1 1 1  -33    4   30 o  128.402   5.9291  113.168   10.039  116.183   12.893  108.527   15.998  130.676   7.2809  126.128   9.3597 4.548241 11.85814 
1 1 1  -33    4   31 o  135.494   5.0737  125.434   9.2661  111.348   13.176  139.219   13.034  127.901   7.6018  143.087   6.7219 -15.18518 10.14748 
1 1 1  -33    4   32 f  165.568   4.8369  185.510   10.824  199.936   16.024  173.403   14.679  171.453   6.8965  159.682   6.7838 11.77185 9.673797 
1 1 1  -33    4   33 o  190.005   4.8590  245.628   12.494  243.957   18.112  247.145   17.258  189.369   7.0579  190.642   6.6804 -1.272873 9.718101 
1 1 1  -33    4   34 o  226.737   6.1432  349.582   17.768  347.816   21.708  353.168   30.929  226.105   7.0848  227.370   10.038 -1.265610 12.28645 
1 1 1  -33    4   35 o  251.266   6.2207  424.316   19.872  413.044   24.079  448.394   35.192  246.370   7.2121  256.161   10.138 -9.790985 12.44139 
1 1 1  -33    4   36 o  324.076   5.3333  714.799   23.413  722.360   33.655  707.707   32.592  325.720   7.6248  322.433   7.4591 3.286896 10.66656 
1 1 1  -33    4   37 o  348.945   5.4777  829.250   25.899  828.374   36.921  830.099   36.339  348.749   7.8123  349.142   7.6805 -0.3929443 10.95545 
1 1 1  -33    4   38 o  297.995   5.1735  604.458   20.885  604.837   29.920  604.099   29.167  298.069   7.4073  297.921   7.2244 0.1477356 10.34696 
1 1 1  -33    4   39 f  296.514   6.3993  600.779   23.964  597.847   42.357  602.159   29.062  295.595   10.574  297.434   7.2104 -1.839020 12.79856 
1 1 1  -33    4   40 o  385.962   7.1044  1014.10   34.616  1030.50   61.540  1006.51   41.868  387.614   11.716  384.310   8.0392 3.303741 14.20884 
1 1 1  -33    4   41 o  314.852   5.3340  674.955   22.750  682.478   32.707  667.903   31.664  316.533   7.6249  313.170   7.4611 3.363159 10.66806 
1 1 1  -33    4   42 o  147.223   5.2393  147.406   10.435  150.981   15.281  144.283   14.284  148.876   7.5741  145.570   7.2412 3.306656 10.47865 
1 1 1  -33    4   43 o  250.156   5.9584  417.083   19.373  394.103   23.906  461.043   33.064  240.555   7.3335  259.758   9.3931 -19.20305 11.91684 
1 1 1  -33    4   44 o  300.173   5.2735  613.891   21.447  611.794   30.599  615.915   30.071  299.652   7.5353  300.694   7.3797 -1.041656 10.54707 
1 1 1  -33    4   45 o  248.454   6.3406  434.814   19.978  382.064   33.823  463.078   24.758  236.128   10.570  260.780   7.0059 -24.65157 12.68114 
1 1 1  -33    4   46 o  139.270   6.6142  133.365   11.676  130.497   20.402  134.762   14.238  137.922   10.916  140.618   7.4720 -2.696121 13.22840 
1 1 1  -33    4   47 o  212.616   5.0861  308.338   14.639  295.912   20.876  320.357   20.532  208.364   7.3935  216.868   6.9865 -8.503937 10.17225 
1 1 1  -33    4   48 o  272.442   5.1886  505.500   19.145  519.885   27.646  492.243   26.539  276.151   7.3877  268.732   7.2875 7.419434 10.37716 
1 1 1  -33    4   49 o  314.617   5.3797  674.928   22.928  686.310   32.958  664.252   31.918  317.170   7.6680  312.065   7.5475 5.105255 10.75932 
1 1 1  -33    4   50 o  188.481   5.1335  242.519   13.095  235.767   18.830  248.843   18.225  185.902   7.4745  191.061   7.0388 -5.159271 10.26710 
1 1 1  -33    4   51 o  189.481   6.4621  235.867   15.423  220.195   18.387  273.067   28.329  179.614   7.5541  199.347   10.487 -19.73300 12.92411 
1 1 1  -33    4   52 o  258.843   6.5661  460.760   21.492  463.501   26.125  455.023   37.803  260.583   7.3981  257.103   10.850 3.479675 13.13224 
1 1 1  -33    4   53 o  207.773   5.9568  293.012   16.189  286.283   20.284  304.821   26.871  204.771   7.3096  210.774   9.4077 -6.002533 11.91362 
1 1 1  -33    4   54 o  205.432   5.9657  287.051   16.022  281.667   20.079  296.488   26.582  203.073   7.2965  207.790   9.4402 -4.716553 11.93131 
1 1 1  -33    4   55 o   84.244   7.0776   49.202   8.0202   44.511   11.673   53.396   11.038   80.316   10.725   88.172   9.2379 -7.856560 14.15514 
1 1 1  -33    4   56 o  105.363   6.1673   76.065   8.7984   79.541   12.756   72.910   12.152  107.652   8.7437  103.074   8.6999 4.577919 12.33454 
1 1 1  -33    4   57 o  143.025   5.4996  140.406   10.634  134.456   15.360  145.884   14.737  140.045   8.0935  146.005   7.4483 -5.960800 10.99915 
1 1 1  -33    4   58 o  158.328   5.3701  171.527   11.507  175.464   16.778  168.030   15.811  160.008   7.7378  156.647   7.4485 3.360687 10.74023 
1 1 1  -33    4   59 o  152.684   5.5144  159.897   11.401  160.471   16.467  159.368   15.800  152.912   7.9467  152.457   7.6476 0.4550781 11.02888 
1 1 1  -33    4   60 o  138.228   7.3058  134.564   12.302  127.495   22.795  137.469   14.612  134.910   12.469  141.547   7.6176 -6.637253 14.61154 
1 1 1  -33    4   61 o  143.748   7.5566  141.867   14.720   0.0000   0.0000  141.867   14.720  ?   ?   143.748   7.5566      ?      ? 
1 1 1  -33    4   62 o  171.387   6.3634  205.386   13.885  195.853   23.856  210.270   17.076  167.735   10.495  175.038   7.1988 -7.303391 12.72686 
1 1 1  -33    4   63 o   57.468   12.052   25.033   10.102   20.215   16.171   28.117   12.937   53.608   18.420   61.328   15.546 -7.719128 24.10373 
1 1 1  -33    4   64 o  158.690   7.6527  178.408   16.192  161.754   24.449  191.417   21.609  151.473   11.911  165.907   9.6116 -14.43422 15.30537 
1 1 1  -33    4   65 o   30.531   8.9739   0.3278   6.5935  -7.4280   9.7725   6.8087   8.9332   25.603   11.861   35.460   13.470 -9.856733 17.94777 
1 1 1  -33    4   66 o  151.475   5.3634  158.569   10.996  153.968   15.798  162.892   15.313  149.257   7.8106  153.693   7.3525 -4.436417 10.72679 
1 1 1  -33    4   67 o   77.217   10.159   47.583   9.4645   54.090   11.585   34.523   16.413   87.896   9.7261   66.538   17.838 21.35751 20.31704 
1 1 1  -33    4   68 o   46.536   9.8207   16.047   6.6616   16.498   9.5822   15.625   9.2676   47.113   13.991   45.959   13.785 1.154766 19.64133 
1 1 1  -33    4   69 o   63.796   8.5390   29.782   7.1474   39.501   10.392   21.057   9.8461   74.778   10.255   52.813   13.656 21.96550 17.07803 
1 1 1  -33    4   70 o  100.025   6.9259   69.185   9.1181   64.892   11.453   76.616   15.069   96.267   8.7792  103.784   10.714 -7.517281 13.85177 
1 1 1  -33    4   71 o   93.145   7.1954   59.988   8.9055   53.812   11.326   69.990   14.413   87.277   9.5763   99.014   10.742 -11.73655 14.39087 
1 1 1  -33    4   72 o  114.646   6.7712   94.408   10.152   98.748   12.980   87.571   16.291  118.816   8.0613  110.476   10.882 8.339943 13.54241 
1 1 1  -33    4   73 o  108.073   6.8151   83.288   9.6621   84.097   12.279   81.972   15.657  109.430   8.2802  106.715   10.827 2.715477 13.63029 
1 1 1  -33    4   74 o   94.658   7.1475   63.038   8.9904   58.509   11.476   70.233   14.465   90.718   9.3353   98.598   10.826 -7.879547 14.29507 
1 1 1  -33    4   75 o   40.606   10.742   10.582   8.0041   14.663   11.984   7.2948   10.754   44.526   15.817   36.686   14.541 7.839256 21.48483 
1 1 1  -33    4   76 o   50.019   15.482   19.959   11.568   0.0000   0.0000   19.959   11.568  ?   ?    50.019   15.482      ?      ? 
1 1 1  -33    4   77 o  102.248   11.112   76.604   15.397   0.0000   0.0000   76.604   15.397  ?   ?   102.248   11.112      ?      ? 
1 1 1  -33    4   78 o  103.681   11.006   78.910   15.464   0.0000   0.0000   78.910   15.464  ?   ?   103.681   11.006      ?      ? 
1 1 1  -33    4   79 o   56.086   15.477   25.861   12.147   0.0000   0.0000   25.861   12.147  ?   ?    56.086   15.477      ?      ? 
1 1 1  -33    5    1 o  400.371   5.6713  1090.70   30.722  1113.38   44.909  1070.76   42.119  404.230   8.1983  396.512   7.8387 7.717438 11.34268 
1 1 1  -33    5    2 o  380.869   5.5291  988.649   28.511  963.616   40.864  1012.39   39.799  376.118   8.0175  385.619   7.6161 -9.501312 11.05826 
1 1 1  -33    5    3 o  224.342   4.6145  341.130   13.952  352.170   20.989  332.389   18.676  227.550   6.8067  221.135   6.2323 6.415451 9.228915 
1 1 1  -33    5    4 o  207.314   4.5775  292.249   12.784  291.786   19.140  292.622   17.177  207.127   6.8189  207.501   6.1087 -0.3736420 9.154959 
1 1 1  -33    5    5 o  245.073   4.7020  406.815   15.552  425.153   23.259  391.990   20.914  250.020   6.8650  240.127   6.4271 9.892853 9.404032 
1 1 1  -33    5    6 f  219.810   4.6132  327.069   13.686  343.702   20.471  313.625   18.405  224.819   6.7191  214.801   6.3228 10.01805 9.226301 
1 1 1  -33    5    7 o  207.492   4.5965  291.903   12.870  300.934   19.219  284.560   17.330  210.367   6.7418  204.616   6.2499 5.751373 9.193072 
1 1 1  -33    5    8 o  223.474   5.1851  346.997   14.034  356.383   16.613  323.607   26.225  229.083   5.3515  217.865   8.8827 11.21812 10.37017 
1 1 1  -33    5    9 o  436.615   7.2679  1292.22   40.920  1269.91   50.421  1335.26   70.036  431.669   8.6194  441.560   11.704 -9.890930 14.53575 
1 1 1  -33    5   10 o  213.708   5.5190  311.878   15.547  315.134   19.868  306.734   24.972  215.272   6.8105  212.145   8.6864 3.127380 11.03795 
1 1 1  -33    5   11 o  142.577   5.0197  138.551   8.8180  138.942   10.488  137.609   16.286  143.037   5.4111  142.117   8.4564 0.9197998 10.03945 
1 1 1  -33    5   12 f  343.900   5.9941  819.489   24.851  836.623   29.290  775.450   46.957  350.875   6.1600  336.925   10.284 13.95035 11.98814 
1 1 1  -33    5   13 f  312.928   5.7827  684.336   21.910  707.420   25.983  627.515   40.765  322.680   5.9419  303.176   9.9222 19.50421 11.56530 
1 1 1  -33    5   14 o  167.478   5.0761  193.601   10.456  197.657   12.482  184.056   19.148  170.606   5.3988  164.350   8.5976 6.256393 10.15216 
1 1 1  -33    5   15 o  172.937   5.0337  203.174   10.738  202.813   12.767  204.047   19.849  172.813   5.4517  173.061   8.4636 -0.2475128 10.06748 
1 1 1  -33    5   16 f  275.800   5.7249  516.693   21.397  516.693   21.397   0.0000   0.0000  275.800   5.7249  ?   ?       ?      ? 
1 1 1  -33    5   17 o  276.405   5.7348  518.966   21.480  518.966   21.480   0.0000   0.0000  276.405   5.7348  ?   ?       ?      ? 
1 1 1  -33    5   18 o  174.330   5.0401  204.514   10.855  201.421   12.878  212.102   20.170  172.214   5.5184  176.447   8.4355 -4.232620 10.08020 
1 1 1  -33    5   19 o  166.860   5.2088  194.908   10.699  203.289   12.859  176.049   19.289  173.013   5.4845  160.707   8.8570 12.30621 10.41757 
1 1 1  -33    5   20 o  304.920   5.7151  636.154   21.115  639.931   24.862  626.382   39.995  306.897   5.9780  302.943   9.7423 3.954041 11.43021 
1 1 1  -33    5   21 o  344.909   6.0543  816.651   25.171  824.008   29.570  797.292   47.964  348.202   6.2667  341.616   10.361 6.585846 12.10869 
1 1 1  -33    5   22 o  147.188   5.3533  149.872   9.7807  153.713   11.768  141.289   17.590  150.424   5.7728  143.951   9.0171 6.474075 10.70668 
1 1 1  -33    5   23 o  222.615   5.5823  335.128   16.168  329.391   20.135  345.545   27.130  220.095   6.7508  225.135   8.8924 -5.040009 11.16458 
1 1 1  -33    5   24 o  433.584   7.3036  1288.97   40.855  1299.53   50.688  1269.39   69.025  436.689   8.5654  430.480   11.832 6.208923 14.60717 
1 1 1  -33    5   25 o  228.210   9.7099  355.497   30.028  355.497   30.028   0.0000   0.0000  228.210   9.7099  ?   ?       ?      ? 
1 1 1  -33    5   26 o  218.091   6.9165  324.284   20.395  294.939   28.315  355.924   29.401  207.805   10.055  228.378   9.5001 -20.57294 13.83296 
1 1 1  -33    5   27 o  223.654   4.7725  340.533   14.448  328.644   20.679  351.873   20.195  219.812   6.9422  227.496   6.5507 -7.683640 9.544960 
1 1 1  -33    5   28 o  248.389   5.9988  420.171   18.780  421.245   33.388  419.674   22.714  248.358   9.9205  248.419   6.7473 -0.6173706E-01 11.99757 
1 1 1  -33    5   29 o  211.956   5.9057  302.143   15.766  316.899   28.374  295.551   18.963  215.439   9.7187  208.472   6.7125 6.967773 11.81143 
1 1 1  -33    5   30 o  230.140   4.8774  359.792   15.194  369.904   22.122  350.760   20.906  233.184   7.0007  227.096   6.7932 6.087631 9.754868 
1 1 1  -33    5   31 o  390.115   5.7310  1036.26   30.285  1054.47   43.592  1019.27   42.106  393.408   8.1768  386.822   8.0324 6.586151 11.46209 
1 1 1  -33    5   32 o  406.625   5.8760  1126.89   32.375  1109.05   45.837  1144.66   45.733  403.391   8.3851  409.858   8.2341 -6.466797 11.75202 
1 1 1  -33    5   33 o  432.047   6.0691  1272.61   35.527  1240.05   50.051  1305.69   50.437  426.453   8.6608  437.642   8.5045 -11.18979 12.13815 
1 1 1  -33    5   34 o  360.598   5.5311  885.789   27.023  877.700   38.487  893.655   37.952  358.953   7.9121  362.244   7.7312 -3.291534 11.06222 
1 1 1  -33    5   35 o  176.282   7.0571  212.298   16.837  198.039   23.551  227.206   24.080  170.194   10.211  182.370   9.7437 -12.17586 14.11426 
1 1 1  -33    5   36 o  218.061   5.9945  319.212   16.514  338.057   29.616  310.710   19.893  222.424   9.8257  213.698   6.8694 8.725769 11.98891 
1 1 1  -33    5   37 o  379.382   6.9764  981.737   33.590  989.373   59.002  978.075   40.857  379.900   11.461  378.865   7.9580 1.035217 13.95282 
1 1 1  -33    5   38 o  296.404   5.1790  597.834   20.793  609.070   29.962  587.395   28.879  299.075   7.3927  293.732   7.2552 5.342804 10.35809 
1 1 1  -33    5   39 o  177.527   4.9465  214.880   11.876  200.908   16.887  228.556   16.706  171.777   7.2543  183.278   6.7264 -11.50134 9.892901 
1 1 1  -33    5   40 o  148.998   5.2130  151.549   10.496  139.580   14.921  163.273   14.768  143.127   7.6931  154.869   7.0368 -11.74216 10.42599 
1 1 1  -33    5   41 o  139.028   5.3015  131.975   9.9583  127.090   14.488  136.349   13.710  136.550   7.8296  141.506   7.1498 -4.956451 10.60295 
1 1 1  -33    5   42 o  143.501   5.2851  140.601   10.247  135.846   14.930  144.834   14.088  141.167   7.8046  145.835   7.1287 -4.668060 10.57022 
1 1 1  -33    5   43 o  191.207   5.0368  248.986   13.035  249.423   18.908  248.591   17.995  191.343   7.2922  191.071   6.9498 0.2720032 10.07358 
1 1 1  -33    5   44 f  190.384   5.0948  245.555   13.108  268.714   19.394  226.083   17.784  198.601   7.2063  182.167   7.2040 16.43347 10.18962 
1 1 1  -33    5   45 o  300.103   5.3358  614.275   21.687  605.218   31.061  622.890   30.293  297.907   7.6941  302.299   7.3948 -4.392181 10.67160 
1 1 1  -33    5   46 o  310.205   6.5859  655.118   25.904  667.755   45.705  649.137   31.441  311.873   10.814  308.537   7.5197 3.335999 13.17189 
1 1 1  -33    5   47 o  254.953   5.1423  442.855   17.756  451.787   25.642  434.627   24.611  257.404   7.3511  252.502   7.1925 4.901474 10.28455 
1 1 1  -33    5   48 o  178.976   5.1976  219.504   12.541  197.358   17.944  240.654   17.535  170.037   7.7872  187.915   6.8860 -17.87816 10.39510 
1 1 1  -33    5   49 o  354.204   5.6291  856.803   27.012  864.802   38.708  849.209   37.714  355.792   8.0282  352.617   7.8926 3.173981 11.25811 
1 1 1  -33    5   50 o  249.546   5.1713  424.177   17.471  444.791   25.384  405.625   24.082  255.290   7.3375  243.803   7.2889 11.48737 10.34252 
1 1 1  -33    5   51 o  220.208   6.0700  330.613   17.440  326.924   21.836  337.113   28.983  218.819   7.3637  221.597   9.6517 -2.777969 12.13998 
1 1 1  -33    5   52 f  146.198   7.9665  146.195   15.783  146.195   15.783   0.0000   0.0000  146.198   7.9665  ?   ?       ?      ? 
1 1 1  -33    5   53 o  198.538   5.1356  269.387   13.808  266.704   19.834  271.910   19.234  197.546   7.4091  199.531   7.1135 -1.985703 10.27110 
1 1 1  -33    5   54 o  120.035   5.8573   98.809   9.5137   97.396   13.775  100.096   13.155  119.173   8.5297  120.896   8.0297 -1.723015 11.71459 
1 1 1  -33    5   55 o  320.813   5.4754  704.850   23.800  696.614   33.850  712.901   33.469  318.921   7.8325  322.705   7.6533 -3.784637 10.95083 
1 1 1  -33    5   56 o  260.463   5.2428  463.845   18.488  476.731   26.848  452.224   25.497  263.865   7.5084  257.060   7.3192 6.804962 10.48557 
1 1 1  -33    5   57 o  253.399   5.2651  439.257   18.064  454.457   26.218  425.520   24.925  257.542   7.5123  249.256   7.3792 8.285522 10.53024 
1 1 1  -33    5   58 o  218.480   7.3485  331.334   21.530  326.941   32.762  334.674   28.563  216.835   11.150  220.125   9.5754 -3.289917 14.69700 
1 1 1  -33    5   59 o  191.755   7.4352  257.821   19.026  238.534   28.875  272.620   25.293  184.886   11.525  198.624   9.3968 -13.73726 14.87032 
1 1 1  -33    5   60 f  131.557   5.6890  119.473   10.108  112.175   14.594  126.200   14.012  127.582   8.4412  135.532   7.6293 -7.949585 11.37807 
1 1 1  -33    5   61 o  115.937   7.2554   98.251   10.468   80.196   17.862  107.696   12.919  106.728   12.350  125.146   7.6180 -18.41829 14.51071 
1 1 1  -33    5   62 f   87.358   8.0686   53.969   8.8836   52.332   15.597   54.755   10.808   85.795   13.415   88.921   8.9695 -3.126381 16.13718 
1 1 1  -33    5   63 o  140.218   5.5415  136.574   10.451  123.156   15.189  148.641   14.403  133.446   8.3993  146.991   7.2309 -13.54462 11.08305 
1 1 1  -33    5   64 o  149.877   5.4691  156.210   11.015  136.513   15.823  174.730   15.344  140.426   8.3151  159.328   7.1065 -18.90213 10.93821 
1 1 1  -33    5   65 o  117.430   5.7720   95.641   9.1690   93.162   13.255   97.916   12.696  115.880   8.4412  118.980   7.8746 -3.100075 11.54392 
1 1 1  -33    5   66 o   90.381   6.7494   57.828   8.0918   44.517   11.416   71.270   11.472   79.467   10.601  101.296   8.3571 -21.82911 13.49875 
1 1 1  -33    5   67 o  205.106   6.5821  289.611   16.896  281.807   20.220  307.670   30.759  201.827   7.3928  208.386   10.892 -6.559036 13.16423 
1 1 1  -33    5   68 o  124.512   5.5834  107.712   9.4143  102.299   13.196  113.323   13.435  121.274   8.0294  127.751   7.7605 -6.476494 11.16680 
1 1 1  -33    5   69 o   44.928   10.408   14.355   7.1668   12.395   9.1416   17.480   11.545   41.593   13.852   48.264   15.536 -6.671726 20.81500 
1 1 1  -33    5   70 o   82.537   8.5426   52.404   8.6669   60.205   11.105   40.251   13.862   92.568   8.8530   72.505   14.613 20.06252 17.08523 
1 1 1  -33    5   71 o   61.184   9.6417   29.190   7.7848   32.484   9.9254   23.925   12.549   67.260   10.890   55.108   15.914 12.15203 19.28339 
1 1 1  -33    5   72 o  153.434   6.1520  163.251   12.287  156.369   15.248  175.996   20.749  149.659   7.5184  157.210   9.7397 -7.551331 12.30393 
1 1 1  -33    5   73 o   69.032   9.2461   38.304   8.0120   45.121   10.218   27.422   12.910   79.594   9.4734   58.471   15.881 21.12353 18.49222 
1 1 1  -33    5   74 f   45.867   9.8897   16.699   7.0758   21.450   9.0777   9.3427   11.295   52.761   12.822   38.973   15.061 13.78740 19.77945 
1 1 1  -33    5   75 o   41.321   14.947   12.203   10.753   0.0000   0.0000   12.203   10.753  ?   ?    41.321   14.947      ?      ? 
1 1 1  -33    5   76 o   57.888   14.904   26.944   11.762   0.0000   0.0000   26.944   11.762  ?   ?    57.888   14.904      ?      ? 
1 1 1  -33    5   77 o   81.271   12.317   49.439   13.566   0.0000   0.0000   49.439   13.566  ?   ?    81.271   12.317      ?      ? 
1 1 1  -33    5   78 o   55.300   15.616   25.212   12.216   0.0000   0.0000   25.212   12.216  ?   ?    55.300   15.616      ?      ? 
1 1 1  -33    5   79 o   51.442   15.645   21.867   11.877   0.0000   0.0000   21.867   11.877  ?   ?    51.442   15.645      ?      ? 
1 1 1  -33    6    1 o  178.911   4.4629  218.241   10.689  213.717   16.354  221.615   14.124  177.236   6.8090  180.586   5.7713 -3.349258 8.925859 
1 1 1  -33    6    2 o  223.061   4.5484  338.472   13.658  337.321   20.508  339.390   18.309  222.673   6.7964  223.449   6.0466 -0.7755890 9.096870 
1 1 1  -33    6    3 o  122.562   4.7181  102.314   7.7042  101.392   12.022  102.957   10.036  122.049   7.2686  123.075   6.0174 -1.026329 9.436178 
1 1 1  -33    6    4 o  136.772   4.6118  128.070   8.4058  122.197   12.968  132.326   11.039  134.000   7.1413  139.544   5.8376 -5.543610 9.223625 
1 1 1  -33    6    5 o  214.168   4.5734  312.460   13.196  306.381   19.651  317.453   17.809  212.224   6.8328  216.113   6.0810 -3.889496 9.146894 
1 1 1  -33    6    6 o  217.003   6.8704  320.340   20.204  320.340   20.204   0.0000   0.0000  217.003   6.8704  ?   ?       ?      ? 
1 1 1  -33    6    7 o  153.825   5.0738  167.795   9.5876  178.534   11.579  144.374   17.100  162.136   5.2699  145.514   8.6718 16.62207 10.14754 
1 1 1  -33    6    8 o  237.126   5.1697  386.395   14.984  391.432   17.773  374.018   27.859  240.056   5.4635  234.196   8.7781 5.859726 10.33950 
1 1 1  -33    6    9 o  315.276   5.7006  681.135   21.759  686.161   25.618  668.116   41.226  317.761   5.9492  312.791   9.7260 4.970459 11.40122 
1 1 1  -33    6   10 o  172.029   5.1625  210.708   10.893  225.505   13.166  178.612   19.391  182.219   5.3319  161.839   8.8417 20.37952 10.32496 
1 1 1  -33    6   11 o  284.393   5.9286  554.656   22.217  566.746   28.464  535.804   35.542  288.586   7.2785  280.201   9.3603 8.385010 11.85712 
1 1 1  -33    6   12 o  325.324   6.2410  722.322   26.616  724.244   33.655  719.111   43.491  326.166   7.6142  324.482   9.8907 1.684082 12.48207 
1 1 1  -33    6   13 o  236.760   5.5080  384.807   16.980  393.382   21.381  370.164   27.942  240.530   6.5597  232.990   8.8499 7.540161 11.01595 
1 1 1  -33    6   14 o  171.962   5.2866  200.563   11.934  198.438   15.069  204.137   19.543  170.839   6.5092  173.085   8.3319 -2.246109 10.57312 
1 1 1  -33    6   15 o  197.300   5.3752  266.128   13.888  269.493   17.577  260.536   22.656  199.090   6.5150  195.510   8.5514 3.579529 10.75042 
1 1 1  -33    6   16 o  251.133   5.5680  423.207   18.185  408.015   22.541  451.528   30.776  244.934   6.7912  257.333   8.8255 -12.39899 11.13598 
1 1 1  -33    6   17 o  243.755   5.6464  410.848   17.994  430.301   22.948  379.797   28.993  251.543   6.7320  235.968   9.0668 15.57462 11.29276 
1 1 1  -33    6   18 o  198.974   6.6890  269.229   18.036  269.229   18.036   0.0000   0.0000  198.974   6.6890  ?   ?       ?      ? 
1 1 1  -33    6   19 o  177.583   5.6984  214.241   13.713  214.241   13.713   0.0000   0.0000  177.583   5.6984  ?   ?       ?      ? 
1 1 1  -33    6   20 o  237.801   5.2917  385.637   15.508  386.668   18.449  383.155   28.630  238.570   5.7064  237.032   8.9132 1.538040 10.58339 
1 1 1  -33    6   21 o  329.305   5.8994  738.203   23.576  737.270   27.737  740.632   44.751  329.345   6.2147  329.264   10.029 0.8108521E-01 11.79872 
1 1 1  -33    6   22 f  288.833   5.6423  573.736   19.949  581.329   23.688  555.219   36.992  292.482   5.9766  285.185   9.5719 7.296173 11.28454 
1 1 1  -33    6   23 o  176.801   5.2799  217.393   11.662  225.320   14.144  200.558   20.612  182.111   5.7312  171.490   8.8693 10.62074 10.55985 
1 1 1  -33    6   24 o  322.507   5.8820  709.245   23.053  709.833   27.160  707.731   43.600  323.155   6.2020  321.859   9.9963 1.295288 11.76402 
1 1 1  -33    6   25 o  245.789   5.4399  413.260   16.480  415.993   19.627  406.727   30.343  247.427   5.8537  244.150   9.1709 3.276642 10.87989 
1 1 1  -33    6   26 o  146.955   5.2866  141.997   9.8889  133.203   11.909  161.523   17.746  139.979   6.2782  153.931   8.5075 -13.95195 10.57324 
1 1 1  -33    6   27 o  218.518   4.7503  323.408   14.036  346.989   20.687  303.290   19.107  225.863   6.7587  211.172   6.6770 14.69087 9.500659 
1 1 1  -33    6   28 o  214.005   4.7367  310.137   13.705  332.497   20.234  291.185   18.629  221.094   6.7535  206.916   6.6436 14.17793 9.473492 
1 1 1  -33    6   29 f  145.013   6.1704  143.872   10.980  142.329   20.389  144.503   13.031  144.262   10.430  145.765   6.5968 -1.502396 12.34083 
1 1 1  -33    6   30 o  104.277   7.4777   74.033   10.567   0.0000   0.0000   74.033   10.567  ?   ?   104.277   7.4777      ?      ? 
1 1 1  -33    6   31 o  218.819   9.6806  327.096   28.706   0.0000   0.0000  327.096   28.706  ?   ?   218.819   9.6806      ?      ? 
1 1 1  -33    6   32 o  174.437   7.2226  208.331   16.993  183.191   23.788  234.525   24.281  163.595   10.730  185.279   9.6709 -21.68329 14.44522 
1 1 1  -33    6   33 o  347.079   5.4588  820.789   25.668  808.274   36.525  833.001   36.079  344.439   7.8252  349.719   7.6130 -5.280029 10.91753 
1 1 1  -33    6   34 o  173.568   4.9700  205.059   11.674  204.689   16.952  205.394   16.100  173.398   7.2142  173.738   6.8381 -0.3402405 9.940034 
1 1 1  -33    6   35 o  286.080   6.3694  549.274   23.069  532.984   27.827  585.080   41.255  279.770   7.3398  292.390   10.412 -12.62082 12.73886 
1 1 1  -33    6   36 o  276.075   6.3033  501.779   21.900  472.845   26.127  570.126   40.156  263.506   7.3168  288.645   10.266 -25.13861 12.60665 
1 1 1  -33    6   37 o  305.314   5.2470  634.986   21.702  633.335   31.076  636.558   30.320  304.904   7.5210  305.723   7.3184 -0.8187561 10.49404 
1 1 1  -33    6   38 o  294.669   5.2000  591.033   20.751  602.387   30.001  580.620   28.732  297.361   7.4451  291.977   7.2617 5.383514 10.40008 
1 1 1  -33    6   39 o  314.119   5.3033  668.685   22.511  724.906   33.373  621.750   30.493  326.155   7.5507  302.082   7.4488 24.07352 10.60654 
1 1 1  -33    6   40 o  247.117   5.0343  415.540   16.841  424.022   24.477  407.914   23.208  249.488   7.2397  244.746   6.9975 4.741394 10.06864 
1 1 1  -33    6   41 o  263.866   5.1092  474.718   18.254  454.728   25.912  494.412   25.719  258.311   7.4024  269.421   7.0443 -11.10913 10.21849 
1 1 1  -33    6   42 o  130.241   5.5065  116.538   9.6463  105.047   14.030  126.841   13.285  124.043   8.3463  136.438   7.1850 -12.39473 11.01293 
1 1 1  -33    6   43 o  152.665   5.2216  159.867   10.735  144.542   15.528  173.896   14.857  145.550   7.8727  159.779   6.8617 -14.22934 10.44329 
1 1 1  -33    6   44 o  187.305   5.0442  239.422   12.780  233.317   18.499  244.997   17.676  184.979   7.3799  189.631   6.8785 -4.652023 10.08846 
1 1 1  -33    6   45 o  167.051   5.1413  190.715   11.604  183.689   16.883  197.007   15.976  164.081   7.5928  170.023   6.9339 -5.941971 10.28252 
1 1 1  -33    6   46 o  145.294   6.6809  148.320   12.092  134.962   21.374  154.608   14.664  140.020   11.264  150.568   7.1869 -10.54826 13.36184 
1 1 1  -33    6   47 o  134.708   5.5852  124.264   10.168  118.253   14.687  129.799   14.092  131.523   8.2403  137.893   7.5415 -6.370316 11.17035 
1 1 1  -33    6   48 o  295.803   6.3225  600.155   24.417  602.307   30.711  596.458   40.257  296.961   7.6315  294.645   10.082 2.316925 12.64493 
1 1 1  -33    6   49 o  159.661   6.0992  173.549   12.938  169.492   16.641  179.749   20.573  157.470   7.7985  161.851   9.3800 -4.380432 12.19839 
1 1 1  -33    6   50 o   97.991   6.5785   67.198   8.5594   54.845   12.543   77.962   11.709   89.244   10.372  106.738   8.0954 -17.49348 13.15698 
1 1 1  -33    6   51 o  124.186   5.7550  105.935   9.6437  101.212   14.109  110.076   13.212  121.509   8.5686  126.862   7.6849 -5.353149 11.50993 
1 1 1  -33    6   52 o   73.692   10.287   35.863   9.3751   29.401   11.234   50.687   17.016   63.789   13.421   83.594   15.594 -19.80498 20.57427 
1 1 1  -33    6   53 o  147.948   6.4232  151.767   12.643  158.035   16.594  143.094   19.520  151.847   8.0645  144.049   9.9997 7.797302 12.84636 
1 1 1  -33    6   54 o  175.620   7.2771  212.958   17.152  214.406   26.156  211.865   22.719  175.909   10.972  175.330   9.5620 0.5786438 14.55418 
1 1 1  -33    6   55 o  157.396   5.5476  171.241   11.737  153.084   17.053  187.587   16.180  149.258   8.4309  165.535   7.2128 -16.27646 11.09522 
1 1 1  -33    6   56 o  287.506   6.7967  578.267   24.386  551.605   43.485  590.498   29.452  281.493   11.400  293.520   7.4045 -12.02625 13.59338 
1 1 1  -33    6   57 o  154.566   7.0145  171.578   13.151  150.968   24.030  180.389   15.712  146.891   12.072  162.241   7.1466 -15.34973 14.02890 
1 1 1  -33    6   58 o  173.157   6.6036  201.197   14.544  190.221   17.538  225.370   26.027  166.359   7.7796  179.954   10.673 -13.59514 13.20711 
1 1 1  -33    6   59 o  247.303   5.2017  420.208   17.422  415.869   25.003  424.302   24.288  245.996   7.5004  248.611   7.2092 -2.614838 10.40332 
1 1 1  -33    6   60 o  132.572   5.5859  120.682   10.006  126.275   14.843  116.023   13.547  135.324   8.0938  129.821   7.7005 5.502716 11.17175 
1 1 1  -33    6   61 o   97.769   7.4669   65.060   9.3127   72.215   16.524   61.730   11.274  101.140   12.056   94.398   8.8131 6.742065 14.93371 
1 1 1  -33    6   62 f  171.383   5.2963  203.649   12.223  183.104   17.616  222.727   16.975  162.799   7.9848  179.968   6.9604 -17.16896 10.59266 
1 1 1  -33    6   63 o  162.553   5.2794  182.545   11.607  177.944   16.811  186.736   16.045  160.488   7.7300  164.618   7.1927 -4.129944 10.55877 
1 1 1  -33    6   64 o  140.003   5.4643  135.895   10.340  129.969   14.952  141.327   14.314  136.946   8.0571  143.060   7.3835 -6.113983 10.92859 
1 1 1  -33    6   65 o  133.643   5.6284  124.760   10.103  107.569   14.428  141.299   14.152  124.301   8.5657  142.986   7.3039 -18.68479 11.25689 
1 1 1  -33    6   66 o  125.985   5.7669  110.405   9.8359  104.100   13.810  116.897   14.013  122.261   8.3351  129.708   7.9721 -7.446892 11.53381 
1 1 1  -33    6   67 f  108.335   8.5419   82.004   12.540   82.004   12.540   0.0000   0.0000  108.335   8.5419  ?   ?       ?      ? 
1 1 1  -33    6   68 o   97.357   7.0563   66.896   9.1544   65.787   11.879   68.517   14.364   96.738   9.0616   97.975   10.819 -1.236778 14.11262 
1 1 1  -33    6   69 o   54.251   10.225   21.863   7.6495   16.826   9.9363   29.194   11.986   47.065   14.309   61.437   14.610 -14.37167 20.44981 
1 1 1  -33    6   70 o   47.751   10.086   17.723   7.5262   24.207   9.9610   9.0979   11.489   56.247   13.281   39.256   15.184 16.99091 20.17250 
1 1 1  -33    6   71 o   73.654   8.2463   39.015   8.1135   36.653   10.503   42.511   12.777   71.259   10.877   76.048   12.398 -4.789108 16.49266 
1 1 1  -33    6   72 o   66.991   9.0961   33.195   7.8175   29.203   9.9744   39.551   12.587   62.110   12.286   71.872   13.417 -9.761078 18.19221 
1 1 1  -33    6   73 f   50.510   9.7502   19.108   8.8487  -3.5392   13.438   36.444   11.758   32.039   14.485   68.980   13.056 -36.94123 19.50034 
1 1 1  -33    6   74 o   66.566   14.676   35.147   12.882   0.0000   0.0000   35.147   12.882  ?   ?    66.566   14.676      ?      ? 
1 1 1  -33    6   75 o   43.359   15.307   14.151   11.208   0.0000   0.0000   14.151   11.208  ?   ?    43.359   15.307      ?      ? 
1 1 1  -33    6   76 o   74.795   13.333   43.426   13.018   0.0000   0.0000   43.426   13.018  ?   ?    74.795   13.333      ?      ? 
1 1 1  -33    6   77 o   62.796   14.936   32.011   12.525   0.0000   0.0000   32.011   12.525  ?   ?    62.796   14.936      ?      ? 
1 1 1  -33    6   78 o   71.571   14.324   40.965   13.408   0.0000   0.0000   40.965   13.408  ?   ?    71.571   14.324      ?      ? 
1 1 1  -33    7    1 o  152.856   4.4656  156.186   9.0338  171.316   14.699  147.002   11.452  158.652   6.8369  147.060   5.7465 11.59198 8.931148 
1 1 1  -33    7    2 o  188.255   4.4663  242.662   11.224  230.935   17.202  251.356   14.811  184.200   6.8914  192.310   5.6833 -8.109879 8.932575 
1 1 1  -33    7    3 o  240.054   5.5826  388.587   17.629  376.106   22.229  409.745   28.942  235.066   6.9782  245.041   8.7158 -9.975342 11.16516 
1 1 1  -33    7    4 f  165.331   4.4988  184.618   9.9308  193.218   15.581  178.735   12.887  168.505   6.8236  162.158   5.8647 6.347153 8.997581 
1 1 1  -33    7    5 o  259.686   4.7527  460.561   16.630  440.032   24.540  477.997   22.616  254.248   7.1224  265.124   6.2947 -10.87556 9.505346 
1 1 1  -33    7    6 o  222.106   4.8994  328.937   13.387  319.956   15.793  351.866   25.234  217.021   5.3699  227.191   8.1963 -10.17079 9.798785 
1 1 1  -33    7    7 o  105.289   5.0181   73.256   6.7633   69.108   8.1988   82.088   11.965  100.829   6.0004  109.749   8.0450 -8.919952 10.03626 
1 1 1  -33    7    8 o  174.740   4.9102  212.164   10.648  219.191   12.835  196.654   19.069  179.637   5.2726  169.843   8.2850 9.794327 9.820460 
1 1 1  -33    7    9 o  187.714   4.9174  242.759   11.456  247.401   13.757  232.260   20.691  190.844   5.3195  184.584   8.2720 6.260040 9.834760 
1 1 1  -33    7   10 o  242.158   5.1147  398.640   15.200  397.929   18.011  400.401   28.337  242.019   5.4916  242.297   8.6304 -0.2783661 10.22945 
1 1 1  -33    7   11 o  244.955   5.1025  398.566   15.287  386.160   17.948  431.346   29.175  238.407   5.5554  251.503   8.5603 -13.09581 10.20492 
1 1 1  -33    7   12 o  280.568   5.3525  521.567   18.182  504.704   21.204  568.402   35.337  272.531   5.7413  288.606   9.0352 -16.07431 10.70502 
1 1 1  -33    7   13 o  275.473   9.1488  517.930   34.153   0.0000   0.0000  517.930   34.153  ?   ?   275.473   9.1488      ?      ? 
1 1 1  -33    7   14 o  240.182   5.5985  390.294   17.797  380.774   22.710  405.445   28.649  236.543   7.0847  243.822   8.6707 -7.278625 11.19704 
1 1 1  -33    7   15 o  207.051   5.0755  291.169   12.990  290.297   15.465  293.261   23.941  206.714   5.5208  207.389   8.5186 -0.6747437 10.15109 
1 1 1  -33    7   16 o  256.930   5.2614  444.224   16.554  437.422   19.523  461.633   31.231  253.727   5.6779  260.134   8.8595 -6.406693 10.52276 
1 1 1  -33    7   17 o  249.899   5.2838  425.880   16.247  426.848   19.305  423.530   30.080  250.641   5.6838  249.157   8.9089 1.483551 10.56756 
1 1 1  -33    7   18 o  210.203   5.0880  298.997   13.308  296.382   15.897  305.121   24.326  208.860   5.6168  211.546   8.4855 -2.686081 10.17602 
1 1 1  -33    7   19 o  241.006   5.6859  394.666   18.570  394.666   18.570   0.0000   0.0000  241.006   5.6859  ?   ?       ?      ? 
1 1 1  -33    7   20 o  274.695   5.8390  512.795   21.736  512.795   21.736   0.0000   0.0000  274.695   5.8390  ?   ?       ?      ? 
1 1 1  -33    7   21 o  275.425   5.4978  518.639   18.551  521.258   21.995  512.182   34.533  276.948   5.8606  273.903   9.3036 3.045319 10.99561 
1 1 1  -33    7   22 o  233.270   5.2703  370.910   15.197  371.508   18.113  369.487   27.928  233.822   5.7163  232.719   8.8558 1.102844 10.54052 
1 1 1  -33    7   23 o  237.183   5.7126  386.852   17.877  399.715   23.026  367.336   28.362  242.358   7.0110  232.007   9.0211 10.35179 11.42514 
1 1 1  -33    7   24 f  186.359   5.6129  236.420   13.918  235.509   18.033  237.762   21.888  186.013   7.1538  186.705   8.6512 -0.6921997 11.22586 
1 1 1  -33    7   25 o  166.229   5.6161  188.223   12.465  187.943   16.288  188.619   19.364  166.159   7.2338  166.299   8.5926 -0.1394653 11.23216 
1 1 1  -33    7   26 o  114.483   6.0980   88.745   9.3965   84.128   12.459   94.835   14.309  111.086   8.2765  117.881   8.9576 -6.795158 12.19592 
1 1 1  -33    7   27 f  218.337   5.3174  328.246   14.454  333.967   17.391  315.466   25.992  221.675   5.7893  214.999   8.9210 6.675446 10.63485 
1 1 1  -33    7   28 o  256.799   5.5689  463.143   17.674  485.228   21.333  414.800   31.562  267.181   5.8919  246.417   9.4518 20.76395 11.13777 
1 1 1  -33    7   29 o  158.510   4.9106  170.342   10.525  181.317   15.518  160.990   14.324  163.213   7.0160  153.807   6.8724 9.406342 9.821142 
1 1 1  -33    7   30 o  244.824   6.0355  408.112   18.547  410.995   33.258  406.811   22.344  245.137   10.012  244.509   6.7436 0.6281433 12.07100 
1 1 1  -33    7   31 o  181.591   4.8273  224.486   11.866  222.903   17.151  225.940   16.434  180.957   6.9942  182.225   6.6552 -1.268311 9.654540 
1 1 1  -33    7   32 o  158.733   4.9536  172.050   10.618  163.698   15.441  179.540   14.623  155.030   7.3498  162.436   6.6432 -7.405563 9.907161 
1 1 1  -33    7   33 o  258.521   4.9713  454.643   17.394  462.431   25.334  447.698   23.924  260.588   7.1742  256.454   6.8839 4.133698 9.942668 
1 1 1  -33    7   34 o  208.989   4.8978  297.344   13.840  297.520   20.265  297.190   18.946  209.014   7.1548  208.964   6.6904 0.4940796E-01 9.795564 
1 1 1  -33    7   35 o  410.315   5.9323  1149.20   32.976  1123.58   46.775  1174.51   46.497  405.726   8.5075  414.903   8.2698 -9.176849 11.86451 
1 1 1  -33    7   36 o  267.458   7.4023  489.945   26.819  472.325   37.485  508.425   38.388  262.514   10.537  272.402   10.399 -9.887848 14.80452 
1 1 1  -33    7   37 o  184.265   7.3580  232.277   18.338  253.483   26.507  212.813   25.396  192.364   10.168  176.167   10.638 16.19678 14.71602 
1 1 1  -33    7   38 f  198.304   6.2742  266.914   15.948  263.181   19.539  274.365   27.603  196.508   7.3374  200.100   10.180 -3.592773 12.54832 
1 1 1  -33    7   39 f  181.437   5.0134  224.270   12.308  224.994   17.919  223.624   16.934  181.687   7.2781  181.188   6.8968 0.4995270 10.02677 
1 1 1  -33    7   40 o  192.111   4.9904  252.122   12.957  239.766   18.708  263.516   17.964  187.527   7.3616  196.695   6.7395 -9.167191 9.980705 
1 1 1  -33    7   41 o  138.347   5.3800  131.422   10.018  120.377   14.625  141.185   13.750  132.768   8.1286  143.926   7.0500 -11.15727 10.75998 
1 1 1  -33    7   42 o  155.970   5.2012  166.330   10.947  160.998   16.088  170.927   14.939  153.583   7.7298  158.357   6.9613 -4.774384 10.40237 
1 1 1  -33    7   43 o  112.535   5.8630   85.506   8.8829   96.393   13.531   77.261   11.776  118.740   8.4093  106.331   8.1722 12.40804 11.72605 
1 1 1  -33    7   44 o  182.274   5.9103  225.961   14.234  221.728   18.134  232.753   22.973  180.240   7.4244  184.308   9.1980 -4.068771 11.82059 
1 1 1  -33    7   45 o  297.857   6.3153  609.234   24.584  613.431   30.991  602.109   40.375  299.684   7.6312  296.031   10.065 3.652496 12.63060 
1 1 1  -33    7   46 o  242.984   6.4322  410.046   19.790  389.774   34.368  420.101   24.205  237.896   10.661  248.072   7.2003 -10.17561 12.86446 
1 1 1  -33    7   47 o  226.464   5.1270  350.787   15.710  336.513   22.536  364.279   21.910  221.915   7.4940  231.014   6.9989 -9.098282 10.25401 
1 1 1  -33    7   48 o  225.497   6.0707  351.189   18.053  360.707   23.203  336.586   28.739  229.719   7.4535  221.275   9.5843 8.444016 12.14139 
1 1 1  -33    7   49 o  197.265   7.1045  265.202   18.782  287.061   29.218  249.807   24.520  203.943   10.572  190.587   9.4937 13.35611 14.20897 
1 1 1  -33    7   50 o  144.469   5.4681  142.477   10.662  147.380   15.912  138.481   14.363  146.664   8.0063  142.273   7.4498 4.390900 10.93619 
1 1 1  -33    7   51 o   46.975   11.303   12.318   8.4911   6.8398   10.458   22.917   14.546   37.567   14.499   56.383   17.345 -18.81555 22.60683 
1 1 1  -33    7   52 o  218.158   6.4842  327.998   18.081  328.555   22.184  326.897   31.207  219.022   7.4742  217.295   10.598 1.726608 12.96830 
1 1 1  -33    7   53 o  164.242   6.6415  180.439   13.482  199.987   25.373  172.748   15.915  169.698   11.033  158.785   7.3961 10.91241 13.28305 
1 1 1  -33    7   54 o  166.190   6.8449  194.154   13.935  183.119   25.566  198.818   16.621  162.036   11.643  170.344   7.2004 -8.309006 13.68985 
1 1 1  -33    7   55 o  160.726   5.2577  177.619   11.422  170.729   16.550  183.886   15.784  157.657   7.7465  163.794   7.1110 -6.136932 10.51545 
1 1 1  -33    7   56 o  135.803   5.5389  126.971   10.157  124.945   14.941  128.712   13.849  134.703   8.1850  136.903   7.4647 -2.199875 11.07773 
1 1 1  -33    7   57 o  144.915   5.3983  144.586   10.563  142.431   15.544  146.435   14.399  143.812   7.9758  146.017   7.2770 -2.204880 10.79667 
1 1 1  -33    7   58 o  147.125   5.3654  148.402   10.670  156.832   15.796  141.328   14.470  150.912   7.7238  143.339   7.4493 7.573196 10.73073 
1 1 1  -33    7   59 o   69.332   8.4591   34.041   7.5158   50.773   11.368   21.046   10.018   85.372   9.8259   53.292   13.772 32.08052 16.91810 
1 1 1  -33    7   60 o  129.026   5.6323  115.427   9.8033  109.609   14.328  120.548   13.442  125.818   8.4034  132.235   7.5015 -6.417145 11.26458 
1 1 1  -33    7   61 o  210.171   6.1574  294.484   16.372  341.485   29.800  274.164   19.594  220.911   9.9545  199.431   7.2502 21.48042 12.31489 
1 1 1  -33    7   62 o  179.666   5.2279  223.079   12.707  219.967   18.441  225.893   17.533  178.362   7.6296  180.970   7.1494 -2.608231 10.45587 
1 1 1  -33    7   63 f  110.866   5.9685   86.023   8.9083   78.188   12.922   93.119   12.298  105.825   9.0107  115.908   7.8294 -10.08345 11.93704 
1 1 1  -33    7   64 o  153.716   5.3270  164.468   11.036  146.951   15.751  181.355   15.466  145.427   7.9926  162.006   7.0447 -16.57912 10.65410 
1 1 1  -33    7   65 o  157.962   6.0699  169.775   12.672  154.959   15.965  195.004   20.832  149.265   7.8925  166.660   9.2241 -17.39531 12.13983 
1 1 1  -33    7   66 o  151.006   7.7026  158.656   15.762  158.656   15.762   0.0000   0.0000  151.006   7.7026  ?   ?       ?      ? 
1 1 1  -33    7   67 o   40.069   9.3757   9.8018   7.4041   20.241   9.3364  -7.8907   12.154   51.554   13.282   28.583   13.236 22.97121 18.75131 
1 1 1  -33    7   68 o   70.332   8.9145   37.389   8.0782   40.310   10.562   33.272   12.540   75.083   10.380   65.582   14.496 9.500854 17.82906 
1 1 1  -33    7   69 o  110.006   6.6618   84.521   9.7237   79.226   12.390   93.009   15.689  106.007   8.6251  114.005   10.155 -7.997597 13.32364 
1 1 1  -33    7   70 o   54.656   10.040   22.249   7.5262   16.226   9.7075   31.324   11.916   45.925   14.177   63.387   14.222 -17.46277 20.08100 
1 1 1  -33    7   71 o   42.305   10.431   11.397   8.7269  -5.0655   13.873   22.178   11.226   31.798   14.509   52.813   14.989 -21.01532 20.86120 
1 1 1  -33    7   72 o   85.485   9.5038   54.843   10.913   57.817   16.710   52.631   14.411   87.001   14.173   83.969   12.665 3.032509 19.00762 
1 1 1  -33    7   73 o   66.072   10.934   37.254   10.263   20.695   15.742   49.496   13.535   50.630   18.112   81.515   12.253 -30.88542 21.86749 
1 1 1  -33    7   74 o   70.827   14.615   39.927   13.563   0.0000   0.0000   39.927   13.563  ?   ?    70.827   14.615      ?      ? 
1 1 1  -33    7   75 f   96.645   11.732   69.525   15.365   0.0000   0.0000   69.525   15.365  ?   ?    96.645   11.732      ?      ? 
1 1 1  -33    7   76 o   58.832   15.542   28.628   12.576   0.0000   0.0000   28.628   12.576  ?   ?    58.832   15.542      ?      ? 
1 1 1  -33    7   77 o  108.903   11.101   87.989   16.383   0.0000   0.0000   87.989   16.383  ?   ?   108.903   11.101      ?      ? 
1 1 1  -33    7   78 o   52.417   16.121   23.229   12.565   0.0000   0.0000   23.229   12.565  ?   ?    52.417   16.121      ?      ? 
1 1 1  -33    8    1 o  172.104   5.1538  201.792   11.970  201.197   16.194  202.509   17.771  171.869   6.9530  172.339   7.6092 -0.4704285 10.30751 
1 1 1  -33    8    2 o  137.346   4.5876  129.540   8.1995  124.160   13.499  132.686   10.322  134.976   7.3799  139.717   5.4517 -4.740723 9.175181 
1 1 1  -33    8    3 o  107.144   4.9511   76.839   6.8650   82.665   11.768   73.834   8.4521  110.095   7.8879  104.192   5.9861 5.902725 9.902137 
1 1 1  -33    8    4 o  177.321   4.5461  212.597   10.716  220.827   17.028  207.200   13.789  180.077   6.9779  174.565   5.8289 5.512009 9.092158 
1 1 1  -33    8    5 o  156.650   6.2346  166.929   13.235  166.929   13.235   0.0000   0.0000  156.650   6.2346  ?   ?       ?      ? 
1 1 1  -33    8    6 o  286.175   5.4350  567.010   19.122  579.796   22.832  536.973   34.996  292.034   5.7694  280.316   9.2126 11.71796 10.87006 
1 1 1  -33    8    7 o  363.581   6.4275  909.244   30.442  926.284   38.322  880.103   50.115  368.658   7.6708  358.505   10.315 10.15283 12.85496 
1 1 1  -33    8    8 o  206.431   5.2378  290.266   14.256  290.136   18.174  290.474   22.986  206.500   6.4946  206.363   8.2195 0.1374512 10.47570 
1 1 1  -33    8    9 o  188.088   5.2456  243.824   13.030  254.873   16.871  227.493   20.511  193.556   6.4321  182.620   8.2881 10.93509 10.49117 
1 1 1  -33    8   10 o  315.541   5.9934  677.763   24.661  673.544   30.885  685.186   40.964  314.484   7.2471  316.598   9.5480 -2.113861 11.98689 
1 1 1  -33    8   11 o  309.700   5.9821  657.201   24.232  665.427   30.619  643.415   39.638  312.592   7.2283  306.808   9.5337 5.784332 11.96412 
1 1 1  -33    8   12 o  314.931   6.0185  675.327   24.718  671.632   30.966  681.817   41.037  314.039   7.2765  315.822   9.5885 -1.782410 12.03691 
1 1 1  -33    8   13 o  288.132   5.8100  562.950   21.906  554.011   27.504  578.461   36.229  285.253   7.1151  291.010   9.1869 -5.757538 11.61994 
1 1 1  -33    8   14 o  312.136   7.2668  660.870   30.415  706.635   47.126  628.195   39.819  321.143   10.829  303.129   9.6936 18.01410 14.53367 
1 1 1  -33    8   15 o  291.254   7.0837  578.188   27.710  595.641   42.362  565.136   36.634  294.916   10.600  287.591   9.4000 7.324982 14.16735 
1 1 1  -33    8   16 o  216.672   5.5179  322.598   15.748  331.910   20.204  308.180   25.140  220.847   6.7508  212.497   8.7302 8.350006 11.03588 
1 1 1  -33    8   17 o  213.371   5.0892  305.217   13.539  298.049   16.144  322.213   24.858  209.410   5.6888  217.332   8.4403 -7.922104 10.17844 
1 1 1  -33    8   18 o  274.551   5.4928  520.644   18.577  530.852   22.194  496.750   33.954  279.447   5.8607  269.656   9.2917 9.791168 10.98563 
1 1 1  -33    8   19 o  315.928   5.7480  677.058   22.165  672.527   26.139  688.653   41.817  314.484   6.1335  317.372   9.7231 -2.887939 11.49606 
1 1 1  -33    8   20 o  287.627   5.9502  562.453   23.192  562.453   23.192   0.0000   0.0000  287.627   5.9502  ?   ?       ?      ? 
1 1 1  -33    8   21 o  305.214   5.7200  636.813   21.313  638.985   25.200  631.357   39.941  306.549   6.0662  303.880   9.6993 2.669617 11.44006 
1 1 1  -33    8   22 o  300.515   5.7213  623.809   21.160  635.473   25.258  596.351   38.753  305.698   6.0971  295.333   9.6830 10.36444 11.44270 
1 1 1  -33    8   23 o  302.387   5.6596  616.982   20.946  608.580   24.704  638.472   39.506  299.156   6.0937  305.617   9.5389 -6.460999 11.31918 
1 1 1  -33    8   24 o  174.924   5.2712  213.078   11.588  221.544   14.136  195.735   20.233  180.527   5.7781  169.320   8.8178 11.20772 10.54232 
1 1 1  -33    8   25 o  196.141   5.2532  263.587   12.911  266.080   15.582  258.128   23.063  197.836   5.8120  194.447   8.7523 3.388779 10.50631 
1 1 1  -33    8   26 o  359.776   6.2330  895.116   27.384  910.519   32.505  857.458   50.824  365.795   6.5574  353.758   10.602 12.03732 12.46591 
1 1 1  -33    8   27 o  277.565   5.6170  531.495   19.246  540.641   23.013  510.215   35.104  281.958   6.0230  273.173   9.4829 8.784851 11.23395 
1 1 1  -33    8   28 o  156.043   5.2970  165.497   10.529  164.665   12.845  167.202   18.380  155.597   6.0920  156.489   8.6671 -0.8918304 10.59391 
1 1 1  -33    8   29 o  169.124   5.3656  199.053   11.491  207.190   14.117  183.073   19.784  174.545   5.9683  163.702   8.9183 10.84286 10.73110 
1 1 1  -33    8   30 o  108.317   6.5286   80.373   9.5619   83.815   13.288   76.677   13.770  110.766   8.8527  105.868   9.5980 4.897614 13.05727 
1 1 1  -33    8   31 o  134.812   5.5780  124.173   9.6666  124.639   11.930  123.283   16.494  135.323   6.5058  134.301   9.0626 1.022003 11.15598 
1 1 1  -33    8   32 o  179.908   4.9072  221.115   11.922  210.252   17.320  230.898   16.436  175.650   7.2766  184.167   6.5858 -8.517288 9.814325 
1 1 1  -33    8   33 o  167.771   4.9124  191.586   11.131  193.543   16.469  189.940   15.102  168.525   7.2113  167.018   6.6726 1.506760 9.824753 
1 1 1  -33    8   34 o  165.804   7.3694  187.415   16.558  187.415   16.558   0.0000   0.0000  165.804   7.3694  ?   ?       ?      ? 
1 1 1  -33    8   35 o  140.215   5.1721  134.841   9.7624  124.816   14.305  143.580   13.356  135.248   7.8051  145.182   6.7885 -9.934311 10.34429 
1 1 1  -33    8   36 f  167.840   6.2801  193.028   13.516  193.811   16.642  191.510   23.168  168.596   7.2839  167.085   10.232 1.512024 12.56011 
1 1 1  -33    8   37 o  158.674   5.0581  172.117   10.822  166.542   15.973  176.849   14.714  156.237   7.5442  161.111   6.7396 -4.874130 10.11620 
1 1 1  -33    8   38 f  132.283   5.3166  117.646   9.4577  135.022   14.492  104.756   12.482  140.655   7.6031  123.911   7.4336 16.74368 10.63323 
1 1 1  -33    8   39 o  222.549   5.0236  338.093   15.128  331.317   21.872  344.308   20.946  220.364   7.3242  224.734   6.8777 -4.370483 10.04721 
1 1 1  -33    8   40 o  126.901   6.2561  108.088   10.624   97.191   13.761  124.164   16.715  119.188   8.5202  134.614   9.1630 -15.42538 12.51217 
1 1 1  -33    8   41 o  138.696   6.1466  131.208   11.383  128.843   14.819  134.611   17.777  137.293   7.9651  140.099   9.3638 -2.806015 12.29321 
1 1 1  -33    8   42 o  157.797   6.3097  165.445   12.556  184.891   22.848  157.032   15.028  163.942   10.284  151.652   7.3128 12.29027 12.61933 
1 1 1  -33    8   43 o  154.209   10.962  164.036   22.908  164.036   22.908   0.0000   0.0000  154.209   10.962  ?   ?       ?      ? 
1 1 1  -33    8   44 o  263.721   10.676  479.640   38.155  479.640   38.155   0.0000   0.0000  263.721   10.676  ?   ?       ?      ? 
1 1 1  -33    8   45 o  180.569   7.1417  222.759   17.475   0.0000   0.0000  222.759   17.475  ?   ?   180.569   7.1417      ?      ? 
1 1 1  -33    8   46 o  136.711   6.7336  128.985   11.452  127.570   20.745  129.605   13.735  135.752   11.277  137.670   7.3622 -1.918488 13.46725 
1 1 1  -33    8   47 o  183.033   5.0834  228.941   12.584  231.296   18.419  226.880   17.233  183.867   7.3923  182.198   6.9798 1.668701 10.16679 
1 1 1  -33    8   48 o  176.497   5.1823  214.173   12.336  197.224   17.826  229.751   17.089  169.660   7.7533  183.334   6.8784 -13.67369 10.36463 
1 1 1  -33    8   49 o  129.057   7.3853  120.519   11.386  103.591   21.171  127.407   13.505  121.698   12.837  136.415   7.3057 -14.71627 14.77065 
1 1 1  -33    8   50 o   71.970   9.9463   35.551   8.4800   40.943   16.665   33.667   9.8507   74.227   16.941   69.713   10.427 4.513535 19.89270 
1 1 1  -33    8   51 o   85.035   10.636   52.159   11.805   66.723   17.229   39.272   16.207   97.453   13.046   72.618   16.803 24.83549 21.27260 
1 1 1  -33    8   52 o   92.338   8.1829   57.040   9.8026   51.468   11.995   68.245   17.010   86.124   10.277   98.552   12.736 -12.42879 16.36588 
1 1 1  -33    8   53 o  125.474   5.7730  110.642   9.5898   87.042   13.919  131.967   13.231  112.214   9.1533  138.733   7.0378 -26.51891 11.54608 
1 1 1  -33    8   54 o  168.599   5.2101  195.788   11.858  188.047   17.330  202.604   16.262  165.339   7.7345  171.858   6.9826 -6.518784 10.42018 
1 1 1  -33    8   55 o   96.998   6.7348   68.205   8.4294   48.034   12.498   85.035   11.417   82.826   11.135  111.171   7.5782 -28.34527 13.46955 
1 1 1  -33    8   56 o  117.663   5.7458   95.013   9.1142  100.910   13.747   90.387   12.174  120.828   8.3958  114.497   7.8464 6.330353 11.49155 
1 1 1  -33    8   57 o  109.905   5.9480   83.882   8.8210   79.612   12.867   87.668   12.116  107.131   8.8632  112.680   7.9347 -5.549683 11.89607 
1 1 1  -33    8   58 o   76.056   7.3206   40.498   7.5208   41.081   11.119   40.006   10.211   76.466   10.730   75.645   9.9613 0.8207779 14.64114 
1 1 1  -33    8   59 o  121.031   5.7161  101.986   9.3233   93.604   13.508  109.611   12.884  116.088   8.5867  125.974   7.5473 -9.885437 11.43216 
1 1 1  -33    8   60 o  136.687   6.7996  135.324   11.614  118.083   20.081  143.989   14.236  128.972   11.490  144.402   7.2749 -15.43022 13.59928 
1 1 1  -33    8   61 o  134.334   6.5467  124.862   11.174  130.476   19.708  122.202   13.565  135.812   10.708  132.857   7.5344 2.955032 13.09347 
1 1 1  -33    8   62 o  180.832   6.0332  226.670   14.373  221.946   18.225  234.440   23.374  178.940   7.5160  182.724   9.4398 -3.784470 12.06645 
1 1 1  -33    8   63 o  165.536   6.0074  184.695   13.111  164.100   16.409  221.068   21.807  153.573   7.8845  177.500   9.0658 -23.92725 12.01478 
1 1 1  -33    8   64 o   62.074   9.6726   30.254   8.1093   38.116   10.794   20.068   12.287   73.033   10.907   51.115   15.977 21.91748 19.34514 
1 1 1  -33    8   65 o  125.596   6.6049  111.287   10.920  110.826   13.894  112.030   17.661  125.871   8.1454  125.320   10.400 0.5504913 13.20983 
1 1 1  -33    8   66 o   97.619   9.0687   67.319   11.997   67.319   11.997   0.0000   0.0000   97.619   9.0687  ?   ?       ?      ? 
1 1 1  -33    8   67 o   65.454   9.0882   30.354   7.8160   19.535   10.001   47.331   12.528   50.179   14.115   80.729   11.452 -30.54979 18.17632 
1 1 1  -33    8   68 o  124.456   6.4360  106.946   10.548   97.886   13.215  122.851   17.511  117.888   8.2722  131.024   9.8620 -13.13591 12.87204 
1 1 1  -33    8   69 o   58.137   11.217   28.343   9.4347   18.948   14.727   34.882   12.287   49.334   17.533   66.941   13.996 -17.60696 22.43361 
1 1 1  -33    8   70 o   73.455   10.840   42.202   10.319   48.703   16.181   37.747   13.397   77.859   15.875   69.051   14.764 8.807762 21.67915 
1 1 1  -33    8   71 o   49.133   10.735   18.949   9.2558   2.3275   14.355   30.776   12.109   36.150   15.717   62.116   14.627 -25.96601 21.47010 
1 1 1  -33    8   72 o   80.511   10.296   51.915   10.670   44.382   16.366   57.483   14.071   73.028   16.876   87.994   11.800 -14.96638 20.59278 
1 1 1  -33    8   73 o   72.948   13.836   41.827   13.177   0.0000   0.0000   41.827   13.177  ?   ?    72.948   13.836      ?      ? 
1 1 1  -33    8   74 o   46.182   15.807   17.033   11.904   0.0000   0.0000   17.033   11.904  ?   ?    46.182   15.807      ?      ? 
1 1 1  -33    8   75 o   95.420   11.936   68.423   15.435   0.0000   0.0000   68.423   15.435  ?   ?    95.420   11.936      ?      ? 
1 1 1  -33    8   76 o   68.648   15.646   39.146   14.231   0.0000   0.0000   39.146   14.231  ?   ?    68.648   15.646      ?      ? 
1 1 1  -33    8   77 o   40.342   15.690   11.317   12.321   0.0000   0.0000   11.317   12.321  ?   ?    40.342   15.690      ?      ? 
1 1 1  -33    9    1 o  177.820   4.3604  213.430   10.173  222.629   16.775  208.078   12.794  180.724   6.8495  174.916   5.3977 5.808014 8.720712 
1 1 1  -33    9    2 o  192.805   5.4068  257.264   13.868  309.707   19.467  203.229   19.761  213.191   6.7383  172.418   8.4574 40.77332 10.81357 
1 1 1  -33    9    3 o  225.862   5.3183  345.357   16.097  330.960   21.060  365.587   24.965  220.338   7.0533  231.386   7.9618 -11.04739 10.63666 
1 1 1  -33    9    4 o  105.218   13.972   76.778   19.922   76.778   19.922   0.0000   0.0000  105.218   13.972  ?   ?       ?      ? 
1 1 1  -33    9    5 o  195.408   4.5045  236.422   10.935  205.691   12.774  320.682   21.152  173.930   5.4196  216.886   7.1966 -42.95522 9.009054 
1 1 1  -33    9    6 o  201.059   4.8082  278.482   12.104  283.706   14.634  267.170   21.535  204.291   5.2862  197.827   8.0332 6.464279 9.616420 
1 1 1  -33    9    7 o  159.271   5.3620  172.452   11.573  172.452   11.573   0.0000   0.0000  159.271   5.3620  ?   ?       ?      ? 
1 1 1  -33    9    8 o  202.376   4.9364  285.266   12.488  296.041   15.160  262.516   22.028  208.684   5.3608  196.067   8.2907 12.61639 9.872849 
1 1 1  -33    9    9 o  147.343   4.8015  147.994   9.0238  148.249   11.041  147.481   15.659  147.664   5.5179  147.022   7.8595 0.6420135 9.603058 
1 1 1  -33    9   10 o  147.695   4.9259  152.205   9.2106  159.443   11.334  138.129   15.806  153.145   5.4613  142.245   8.1995 10.89969 9.851837 
1 1 1  -33    9   11 o  189.889   4.7664  236.598   11.377  222.807   13.557  269.437   20.920  181.031   5.5262  198.747   7.7675 -17.71635 9.532708 
1 1 1  -33    9   12 o  195.764   4.9331  261.269   12.080  261.602   14.528  260.522   21.747  196.169   5.4649  195.359   8.2144 0.8095856 9.866169 
1 1 1  -33    9   13 o  162.096   4.8491  172.611   9.9554  162.079   11.936  196.687   18.047  154.387   5.7050  169.804   7.8427 -15.41675 9.698246 
1 1 1  -33    9   14 o  148.586   5.2027  156.906   9.6706  169.327   11.896  132.698   16.607  157.817   5.5623  139.356   8.7938 18.46091 10.40531 
1 1 1  -33    9   15 o  223.524   5.5347  338.515   16.504  328.334   21.385  353.508   25.953  219.512   7.1891  227.535   8.4170 -8.023041 11.06933 
1 1 1  -33    9   16 o  153.159   5.0937  160.938   9.8781  162.984   12.039  156.722   17.281  154.816   5.7383  151.501   8.4175 3.315414 10.18735 
1 1 1  -33    9   17 o  138.193   5.2759  132.125   9.2016  135.735   11.226  124.736   16.062  141.272   5.8641  135.115   8.7723 6.156860 10.55183 
1 1 1  -33    9   18 o  213.487   5.0685  305.386   13.458  297.837   16.012  323.549   24.836  209.294   5.6456  217.680   8.4194 -8.385361 10.13707 
1 1 1  -33    9   19 o  162.050   4.9803  176.033   10.270  170.804   12.445  187.193   18.182  158.480   5.7950  165.620   8.1012 -7.139755 9.960528 
1 1 1  -33    9   20 o  157.575   5.8092  168.863   12.405  168.863   12.405   0.0000   0.0000  157.575   5.8092  ?   ?       ?      ? 
1 1 1  -33    9   21 o  191.642   5.8107  249.777   15.090  249.777   15.090   0.0000   0.0000  191.642   5.8107  ?   ?       ?      ? 
1 1 1  -33    9   22 o  180.900   5.2176  226.790   11.924  233.828   14.575  212.550   20.733  185.422   5.8006  176.378   8.6744 9.043564 10.43517 
1 1 1  -33    9   23 o  141.482   5.3774  137.533   9.7577  139.769   12.053  133.280   16.622  143.316   6.2060  139.649   8.7836 3.667175 10.75482 
1 1 1  -33    9   24 o  152.999   5.5238  167.688   10.616  184.825   13.203  136.350   17.854  164.834   5.9109  141.164   9.3333 23.67004 11.04761 
1 1 1  -33    9   25 o  200.387   5.3511  281.381   13.411  294.805   16.335  253.620   23.490  208.191   5.7899  192.583   9.0009 15.60837 10.70228 
1 1 1  -33    9   26 o  152.294   5.3865  160.449   10.413  164.897   12.772  151.631   17.982  155.673   6.0541  148.914   8.9111 6.758545 10.77308 
1 1 1  -33    9   27 o  194.104   5.3635  264.143   13.031  277.020   15.888  237.676   22.778  201.801   5.8099  186.407   9.0173 15.39461 10.72693 
1 1 1  -33    9   28 o  156.437   5.3959  169.186   10.707  173.536   13.117  160.499   18.535  159.689   6.0614  153.185   8.9288 6.503708 10.79185 
1 1 1  -33    9   29 o  109.810   5.8242   79.918   8.3634   73.660   10.367   91.583   14.154  103.926   7.3610  115.693   9.0279 -11.76691 11.64847 
1 1 1  -33    9   30 o  223.941   5.8652  346.332   17.494  365.833   23.120  320.215   26.756  231.592   7.3668  216.289   9.1286 15.30276 11.73033 
1 1 1  -33    9   31 o  203.785   5.3174  280.034   13.658  274.439   16.446  292.469   24.519  200.796   6.0441  206.773   8.7503 -5.976074 10.63475 
1 1 1  -33    9   32 o  181.264   5.3448  221.915   12.303  217.671   14.916  230.947   21.758  178.803   6.1558  183.726   8.7391 -4.922943 10.68952 
1 1 1  -33    9   33 o   96.894   6.3651   62.641   8.0937   58.118   10.095   70.780   13.542   92.222   8.0781  101.565   9.8387 -9.343719 12.73011 
1 1 1  -33    9   34 o  162.671   5.8962  184.165   12.668  198.146   16.576  164.531   19.643  170.420   7.1774  154.922   9.3565 15.49837 11.79240 
1 1 1  -33    9   35 f  183.747   5.8066  231.184   14.110  232.252   18.108  229.533   22.513  184.476   7.2434  183.018   9.0774 1.457443 11.61312 
1 1 1  -33    9   36 o  123.630   8.0915  104.524   13.556  104.524   13.556   0.0000   0.0000  123.630   8.0915  ?   ?       ?      ? 
1 1 1  -33    9   37 o  174.457   4.9520  207.238   11.676  213.782   17.251  201.706   15.863  176.959   7.1937  171.956   6.8073 5.003281 9.903942 
1 1 1  -33    9   38 o  156.412   5.1780  167.711   10.920  159.964   16.045  174.396   14.904  152.961   7.7408  159.863   6.8796 -6.901642 10.35608 
1 1 1  -33    9   39 o  123.439   7.5904  106.457   12.439   97.265   19.126  113.196   16.377  118.509   11.909  128.368   9.4142 -9.859261 15.18077 
1 1 1  -33    9   40 o   99.416   7.4267   63.897   9.2256   79.363   17.412   57.861   10.878  106.988   12.010   91.845   8.7399 15.14269 14.85347 
1 1 1  -33    9   41 o  199.668   5.0082  272.707   13.514  267.795   19.751  277.031   18.532  197.908   7.3646  201.428   6.7891 -3.519821 10.01645 
1 1 1  -33    9   42 o  140.938   5.3144  135.781   10.106  137.278   15.040  134.549   13.647  141.585   7.8389  140.291   7.1781 1.294632 10.62889 
1 1 1  -33    9   43 o  225.731   5.0496  348.399   15.417  348.968   22.514  347.896   21.156  225.842   7.3563  225.620   6.9194 0.2213135 10.09911 
1 1 1  -33    9   44 o  268.249   5.1843  493.199   18.816  475.168   27.046  510.113   26.194  263.399   7.5771  273.099   7.0778 -9.699768 10.36856 
1 1 1  -33    9   45 o  164.379   7.0269  184.855   15.653   0.0000   0.0000  184.855   15.653  ?   ?   164.379   7.0269      ?      ? 
1 1 1  -33    9   46 o  135.604   6.9990  123.631   11.385  134.678   22.406  119.787   13.218  138.982   11.897  132.226   7.3769 6.755508 13.99805 
1 1 1  -33    9   47 f   70.761   10.363   40.966   8.5951   25.935   16.750   46.338   10.014   59.536   18.663   81.986   9.0133 -22.45003 20.72539 
1 1 1  -33    9   48 f  103.296   6.3547   75.633   8.6411   60.744   12.937   87.628   11.611   93.596   10.199  112.995   7.5829 -19.39831 12.70944 
1 1 1  -33    9   49 o   89.238   8.2273   57.141   9.0502   51.919   16.226   59.499   10.904   85.585   13.990   92.891   8.6621 -7.306160 16.45462 
1 1 1  -33    9   50 o  108.171   8.5319   82.197   12.472   74.764   17.517   89.840   17.761  103.056   12.543  113.287   11.569 -10.23140 17.06385 
1 1 1  -33    9   51 o   93.214   7.9915   58.644   9.7051   53.380   11.955   68.819   16.622   87.610   10.069   98.818   12.413 -11.20742 15.98309 
1 1 1  -33    9   52 o  153.540   7.7432  162.359   16.111  162.359   16.111   0.0000   0.0000  153.540   7.7432  ?   ?       ?      ? 
1 1 1  -33    9   53 o  152.049   5.3213  159.920   10.913  146.980   15.737  171.909   15.147  145.952   7.9567  158.146   7.0680 -12.19313 10.64258 
1 1 1  -33    9   54 o   74.714   7.3925   39.197   7.4280   38.068   11.110   40.109   9.9892   73.575   11.143   75.853   9.7179 -2.278732 14.78494 
1 1 1  -33    9   55 o  178.592   5.1387  220.005   12.408  216.276   18.076  223.329   17.064  177.048   7.5340  180.137   6.9904 -3.088699 10.27748 
1 1 1  -33    9   56 f   64.824   8.4792   30.499   7.1480   32.797   10.686   28.639   9.6158   66.988   12.222   62.660   11.756 4.328312 16.95848 
1 1 1  -33    9   57 o   88.637   6.5270   55.245   7.7721   51.079   11.481   58.769   10.560   85.324   9.9293   91.950   8.4746 -6.626183 13.05408 
1 1 1  -33    9   58 o   61.366   8.4176   27.048   6.8356   33.655   10.167   21.598   9.2340   68.939   10.883   53.793   12.845 15.14639 16.83515 
1 1 1  -33    9   59 o   42.812   9.3692   11.970   7.2226   22.941   9.6456  -2.0330   10.897   55.299   13.077   30.326   13.421 24.97338 18.73836 
1 1 1  -33    9   60 o   56.692   11.178   25.140   8.9444   21.889   13.633   27.598   11.852   53.362   16.852   60.022   14.690 -6.660229 22.35640 
1 1 1  -33    9   61 o   52.058   10.244   20.688   7.4241   20.459   9.7097   21.010   11.519   51.869   13.634   52.247   15.293 -0.3781204 20.48853 
1 1 1  -33    9   62 o   47.737   10.169   16.691   7.2112   12.079   9.5936   22.681   10.934   41.278   14.188   54.196   14.572 -12.91843 20.33790 
1 1 1  -33    9   63 o   64.573   8.9798   30.169   7.6560   22.791   10.050   40.371   11.817   54.487   13.642   74.659   11.680 -20.17232 17.95955 
1 1 1  -33    9   64 o   60.776   9.8570   29.032   7.9381   32.536   10.569   24.496   12.024   65.848   12.296   55.704   15.409 10.14387 19.71392 
1 1 1  -33    9   65 o  143.643   7.7734  144.550   15.131  144.550   15.131   0.0000   0.0000  143.643   7.7734  ?   ?       ?      ? 
1 1 1  -33    9   66 o   67.986   10.954   36.657   9.7997   38.072   14.909   35.581   13.004   68.661   16.272   67.311   14.670 1.349449 21.90866 
1 1 1  -33    9   67 o   43.607   11.151   13.850   8.6535   8.8084   13.571   17.304   11.233   40.134   16.189   47.080   15.340 -6.945675 22.30231 
1 1 1  -33    9   68 o   74.952   10.630   44.345   10.259   45.860   16.156   43.322   13.280   75.061   16.346   74.843   13.595 0.2184067 21.26035 
1 1 1  -33    9   69 o  126.307   8.1130  118.458   13.619  112.193   21.008  122.999   17.886  122.276   12.678  130.339   10.126 -8.063461 16.22599 
1 1 1  -33    9   70 o   67.012   11.022   37.639   10.155   26.944   15.484   45.711   13.452   56.159   17.984   77.865   12.749 -21.70572 22.04428 
1 1 1  -33    9   71 o   64.584   11.238   34.461   9.7202   34.288   14.720   34.595   12.944   63.764   16.800   65.405   14.932 -1.641197 22.47691 
1 1 1  -33    9   72 o   63.755   15.309   33.336   13.059   0.0000   0.0000   33.336   13.059  ?   ?    63.755   15.309      ?      ? 
1 1 1  -33    9   73 o   71.888   14.436   41.510   13.575   0.0000   0.0000   41.510   13.575  ?   ?    71.888   14.436      ?      ? 
1 1 1  -33    9   74 o   48.567   15.928   19.577   12.103   0.0000   0.0000   19.577   12.103  ?   ?    48.567   15.928      ?      ? 
1 1 1  -33    9   75 o   52.628   16.453   23.749   13.028   0.0000   0.0000   23.749   13.028  ?   ?    52.628   16.453      ?      ? 
1 1 1  -33    9   76 o   65.246   15.714   36.042   13.728   0.0000   0.0000   36.042   13.728  ?   ?    65.246   15.714      ?      ? 
1 1 1  -33   10    1 o  162.558   4.3973  185.346   9.1981  162.134   15.100  199.042   11.598  154.058   7.2326  171.059   5.0035 -17.00041 8.794643 
1 1 1  -33   10    2 o  113.922   4.6613   89.525   6.6346   85.891   11.847   91.185   8.0081  112.067   7.8011  115.776   5.1042 -3.708366 9.322574 
1 1 1  -33   10    3 o  148.442   4.4656  150.582   8.6038  148.840   14.364  151.557   10.744  147.641   7.1793  149.242   5.3126 -1.601120 8.931230 
1 1 1  -33   10    4 o  152.710   5.1418  159.284   10.636  160.768   14.859  157.726   15.230  153.460   7.1454  151.961   7.3956 1.498993 10.28357 
1 1 1  -33   10    5 o  177.757   4.9247  229.686   10.886  259.444   13.558  175.685   18.264  195.309   5.1225  160.206   8.4125 35.10344 9.849364 
1 1 1  -33   10    6 o  183.820   4.6308  229.840   10.812  228.894   13.159  231.807   18.971  183.432   5.2938  184.208   7.5996 -0.7757721 9.261654 
1 1 1  -33   10    7 o  175.500   4.5205  200.244   10.084  183.911   12.087  237.625   18.287  164.412   5.4252  186.587   7.2322 -22.17548 9.040922 
1 1 1  -33   10    8 o  113.029   5.8209   86.969   8.9159   86.969   8.9159   0.0000   0.0000  113.029   5.8209  ?   ?       ?      ? 
1 1 1  -33   10    9 o  149.719   4.7607  155.061   9.1257  160.008   11.301  145.787   15.472  153.363   5.4376  146.076   7.8159 7.286758 9.521324 
1 1 1  -33   10   10 o   99.460   5.1107   66.109   6.7268   61.477   8.5122   73.812   10.978   94.973   6.6139  103.947   7.7932 -8.974159 10.22149 
1 1 1  -33   10   11 o  151.497   4.9243  160.254   9.5115  168.469   11.796  144.987   16.081  157.360   5.5318  145.634   8.1482 11.72609 9.848556 
1 1 1  -33   10   12 o  123.191   4.8632  100.968   7.8653   94.025   9.8203  113.391   13.136  117.503   6.1673  128.879   7.5212 -11.37648 9.726476 
1 1 1  -33   10   13 o  132.262   5.1864  125.276   8.7207  140.677   11.043   99.761   14.214  143.785   5.6677  120.739   8.6874 23.04669 10.37274 
1 1 1  -33   10   14 o  169.212   5.0145  197.652   10.780  202.331   13.219  188.360   18.627  172.441   5.6568  165.984   8.2814 6.457947 10.02901 
1 1 1  -33   10   15 o  133.962   5.6251  122.505   10.200  114.469   14.221  131.018   14.637  129.419   8.1089  138.504   7.7982 -9.084488 11.25016 
1 1 1  -33   10   16 o  194.249   4.9175  250.005   12.174  236.892   14.705  278.563   21.702  186.568   5.8162  201.930   7.9308 -15.36215 9.834925 
1 1 1  -33   10   17 o  184.744   5.2442  243.891   12.163  266.752   15.077  201.294   20.581  198.007   5.6189  171.482   8.8564 26.52516 10.48845 
1 1 1  -33   10   18 o  136.722   5.2185  128.564   9.1811  130.857   11.386  124.304   15.523  138.636   6.0608  134.808   8.4970 3.827805 10.43701 
1 1 1  -33   10   19 o  166.806   5.1942  194.678   10.990  204.673   13.565  175.580   18.750  173.421   5.7719  160.191   8.6373 13.23048 10.38841 
1 1 1  -33   10   20 o  143.339   6.0392  139.886   11.731  139.886   11.731   0.0000   0.0000  143.339   6.0392  ?   ?       ?      ? 
1 1 1  -33   10   21 o  124.007   6.2666  104.739   10.531  104.739   10.531   0.0000   0.0000  124.007   6.2666  ?   ?       ?      ? 
1 1 1  -33   10   22 o  152.694   5.1973  161.279   10.130  165.842   12.494  152.525   17.306  156.084   5.9069  149.305   8.5532 6.778763 10.39463 
1 1 1  -33   10   23 o   99.013   6.1402   69.737   7.8223   77.570   9.9953   57.358   12.565  106.652   6.9158   91.373   10.148 15.27963 12.28038 
1 1 1  -33   10   24 f  160.180   5.2604  178.079   10.757  184.359   13.295  166.176   18.302  164.552   5.9622  155.808   8.6683 8.744659 10.52076 
1 1 1  -33   10   25 o   98.520   6.3601   66.779   8.4234   68.993   11.337   64.052   12.585  100.427   8.3306   96.612   9.6128 3.815147 12.72023 
1 1 1  -33   10   26 o  161.568   5.5782  179.069   12.006  182.130   15.682  174.735   18.660  163.377   7.0832  159.758   8.6193 3.619324 11.15639 
1 1 1  -33   10   27 o  188.126   5.5767  242.964   13.923  247.298   18.051  236.598   21.878  190.382   6.9965  185.870   8.6859 4.512070 11.15330 
1 1 1  -33   10   28 o  191.354   5.5366  245.529   14.061  228.302   17.892  273.349   22.737  182.871   7.2199  199.837   8.3959 -16.96619 11.07328 
1 1 1  -33   10   29 o  163.426   6.7817  181.820   14.747  191.712   23.428  175.329   18.979  166.893   10.359  159.959   8.7553 6.934067 13.56341 
1 1 1  -33   10   30 o  151.573   5.9033  157.032   12.089  154.031   16.402  160.600   17.886  150.042   8.0669  153.103   8.6208 -3.060883 11.80650 
1 1 1  -33   10   31 o  119.677   5.9953  102.801   9.1156  114.766   11.514   82.705   14.922  129.719   6.5497  109.635   10.044 20.08397 11.99057 
1 1 1  -33   10   32 o  155.268   5.5464  169.411   10.946  179.120   13.562  151.271   18.537  162.106   6.1737  148.431   9.2160 13.67570 11.09281 
1 1 1  -33   10   33 o  166.522   5.3709  187.240   11.453  182.490   13.982  196.926   19.967  163.591   6.3069  169.453   8.6954 -5.862732 10.74181 
1 1 1  -33   10   34 o   66.367   8.9940   31.278   7.8581   22.564   10.829   40.971   11.420   55.731   14.275   77.003   10.944 -21.27198 17.98793 
1 1 1  -33   10   35 o  151.945   10.466  159.337   21.550  159.337   21.550   0.0000   0.0000  151.945   10.466  ?   ?       ?      ? 
1 1 1  -33   10   36 o  153.310   6.4823  160.423   13.467  160.423   13.467   0.0000   0.0000  153.310   6.4823  ?   ?       ?      ? 
1 1 1  -33   10   37 o  207.275   5.5545  301.444   14.464  314.654   17.667  274.598   25.187  214.786   6.0698  199.765   9.3041 15.02147 11.10896 
1 1 1  -33   10   38 o  173.175   5.0400  203.635   11.761  218.634   17.810  192.035   15.661  178.737   7.3529  167.613   6.8951 11.12465 10.08007 
1 1 1  -33   10   39 o   52.836   9.2318   21.206   6.7319   13.371   10.483   26.705   8.7821   44.469   14.835   61.204   10.993 -16.73574 18.46358 
1 1 1  -33   10   40 o  117.317   7.0939   88.865   10.092  109.480   20.035   81.856   11.682  125.394   11.790  109.240   7.8916 16.15412 14.18775 
1 1 1  -33   10   41 o  176.928   6.3960  208.359   13.789  232.617   26.624  199.467   16.119  183.129   10.728  170.726   6.9670 12.40327 12.79190 
1 1 1  -33   10   42 f  116.878   7.4255   94.985   10.223   94.204   20.202   95.255   11.852  115.880   12.865  117.876   7.4198 -1.996269 14.85106 
1 1 1  -33   10   43 o   70.325   7.6226   33.903   7.1471   36.963   11.344   31.890   9.2031   72.797   11.500   67.853   10.009 4.944153 15.24526 
1 1 1  -33   10   44 o  140.481   6.8651  143.242   11.623  121.334   21.216  152.637   13.894  131.683   11.889  149.278   6.8681 -17.59534 13.73015 
1 1 1  -33   10   45 o  183.932   6.2020  229.329   14.153  243.925   26.214  223.325   16.814  187.342   10.326  180.522   6.8730 6.819534 12.40406 
1 1 1  -33   10   46 o   85.006   6.7170   49.016   7.6553   59.096   11.850   41.797   10.029   92.353   9.4688   77.658   9.5295 14.69495 13.43392 
1 1 1  -33   10   47 o   84.762   6.6902   48.986   7.6169   58.562   11.631   41.796   10.079   91.918   9.3376   77.607   9.5835 14.31153 13.38043 
1 1 1  -33   10   48 o  142.088   5.3100  139.514   10.166  132.106   14.945  145.894   13.869  138.426   7.9671  145.751   7.0220 -7.324646 10.61998 
1 1 1  -33   10   49 o  138.803   5.3778  133.536   10.050  120.253   14.511  145.781   13.933  131.971   8.1142  145.635   7.0600 -13.66470 10.75566 
1 1 1  -33   10   50 o   93.872   7.7501   58.011   9.4586   48.993   11.553   76.347   16.474   83.728   10.182  104.017   11.687 -20.28952 15.50022 
1 1 1  -33   10   51 o   87.268   7.0922   54.602   8.0830   38.848   11.545   69.751   11.321   74.177   11.485  100.359   8.3241 -26.18166 14.18437 
1 1 1  -33   10   52 o   69.873   8.2823   37.773   7.1654   21.777   10.630   51.092   9.7001   53.903   14.313   85.843   8.3385 -31.93934 16.56469 
1 1 1  -33   10   53 o  172.847   5.1234  205.264   11.967  218.228   17.753  194.466   16.202  177.773   7.3692  167.921   7.1198 9.852768 10.24682 
1 1 1  -33   10   54 o  138.113   5.3917  132.529   10.032  126.579   14.802  137.584   13.644  135.053   8.0880  141.174   7.1321 -6.120605 10.78346 
1 1 1  -33   10   55 o  105.115   6.1071   78.368   8.5354   66.870   12.693   87.857   11.532   97.606   9.5965  112.624   7.5559 -15.01762 12.21414 
1 1 1  -33   10   56 o  128.182   7.6041  117.810   12.976   93.840   18.389  141.584   18.313  114.427   11.859  141.937   9.5212 -27.51005 15.20812 
1 1 1  -33   10   57 o  104.787   11.961   79.005   16.984   79.005   16.984   0.0000   0.0000  104.787   11.961  ?   ?       ?      ? 
1 1 1  -33   10   58 o   79.099   10.160   44.389   10.890   44.389   10.890   0.0000   0.0000   79.099   10.160  ?   ?       ?      ? 
1 1 1  -33   10   59 o   97.042   9.1048   71.701   11.095   50.708   16.130   90.552   15.285   81.156   15.226  112.927   9.9880 -31.77095 18.20962 
1 1 1  -33   10   60 o  104.380   6.7844   75.709   9.4130   69.722   12.010   85.244   15.157   99.458   8.9108  109.301   10.233 -9.843056 13.56888 
1 1 1  -33   10   61 o   87.119   7.4149   54.098   8.5636   52.789   10.981   56.131   13.681   86.259   9.3941   87.979   11.475 -1.720497 14.82987 
1 1 1  -33   10   62 o   36.112   9.8361   7.6203   6.7803   8.1164   9.0898   6.9981   10.180   36.191   13.625   36.034   14.190 0.1574249 19.67221 
1 1 1  -33   10   63 o   41.964   10.934   12.101   8.0459   12.767   12.936   11.680   10.275   43.199   16.256   40.729   14.626 2.470348 21.86777 
1 1 1  -33   10   64 o   39.145   15.744   8.2688   12.795   8.2688   12.795   0.0000   0.0000   39.145   15.744  ?   ?       ?      ? 
1 1 1  -33   10   65 o   62.971   11.322   32.206   9.6522   33.645   14.330   31.011   13.059   64.013   16.435   61.930   15.575 2.082649 22.64310 
1 1 1  -33   10   66 o   31.557   9.3524   0.2852   7.5896 -13.3764   12.100   9.1460   9.7448   25.685   12.286   37.428   14.104 -11.74319 18.70481 
1 1 1  -33   10   67 o   48.369   11.371   18.913   8.7086   16.503   13.952   20.451   11.146   46.385   16.988   50.352   15.121 -3.966137 22.74283 
1 1 1  -33   10   68 o   46.211   11.410   16.301   8.6667   20.336   13.707   13.613   11.187   49.811   16.962   42.611   15.266 7.200840 22.81989 
1 1 1  -33   10   69 o   48.049   11.488   18.830   8.8959   16.933   13.816   20.173   11.627   46.433   16.920   49.666   15.546 -3.232342 22.97689 
1 1 1  -33   10   70 o   41.572   11.168   11.373   8.6354   17.521   13.620   7.2408   11.167   46.777   16.835   36.368   14.680 10.40903 22.33643 
1 1 1  -33   10   71 o   50.771   10.330   20.413   9.1407   1.7112   13.543   36.061   12.388   34.477   15.121   67.065   14.079 -32.58807 20.66070 
1 1 1  -33   10   72 o   83.745   12.753   53.783   14.473   0.0000   0.0000   53.783   14.473  ?   ?    83.745   12.753      ?      ? 
1 1 1  -33   10   73 o   67.276   15.496   37.860   13.836   0.0000   0.0000   37.860   13.836  ?   ?    67.276   15.496      ?      ? 
1 1 1  -33   10   74 o   68.336   15.470   39.282   13.993   0.0000   0.0000   39.282   13.993  ?   ?    68.336   15.470      ?      ? 
1 1 1  -33   10   75 o   50.648   16.627   22.539   13.188   0.0000   0.0000   22.539   13.188  ?   ?    50.648   16.627      ?      ? 
1 1 1  -33   11    1 o  126.203   10.545  110.286   18.034  110.286   18.034   0.0000   0.0000  126.203   10.545  ?   ?       ?      ? 
1 1 1  -33   11    2 o  104.353   6.6047   83.146   6.6978   63.454   15.904   87.391   7.3847   95.390   12.303  113.316   4.8090 -17.92572 13.20943 
1 1 1  -33   11    3 o  122.899   4.9257  107.186   7.8899  125.852   10.490   82.875   11.972  135.871   5.6974  109.927   8.0367 25.94440 9.851325 
1 1 1  -33   11    4 o  141.396   6.4718  143.730   11.531  119.040   19.364  157.296   14.353  131.112   10.898  151.680   6.9830 -20.56827 12.94360 
1 1 1  -33   11    5 o   84.761   5.1986   49.116   5.9620   48.433   8.1829   49.888   8.7043   84.153   7.1755   85.368   7.5241 -1.215309 10.39716 
1 1 1  -33   11    6 o  200.236   5.2200  281.681   13.739  315.579   18.119  235.838   21.072  215.070   6.2170  185.402   8.3869 29.66870 10.43990 
1 1 1  -33   11    7 o  147.964   4.8713  148.538   9.6480  143.213   12.594  156.101   15.010  144.859   6.4158  151.070   7.3318 -6.211472 9.742606 
1 1 1  -33   11    8 o  105.809   7.1158   76.525   10.203   76.525   10.203   0.0000   0.0000  105.809   7.1158  ?   ?       ?      ? 
1 1 1  -33   11    9 o  148.568   5.3103  155.031   10.397  184.727   14.189  120.599   15.279  164.544   6.3632  132.591   8.5033 31.95323 10.62057 
1 1 1  -33   11   10 o  217.608   5.2196  320.372   15.079  307.440   19.296  340.659   24.168  212.201   6.7101  223.015   7.9969 -10.81419 10.43918 
1 1 1  -33   11   11 o  146.666   5.4016  150.565   10.477  178.700   14.372  118.653   15.306  161.815   6.5539  131.516   8.5882 30.29910 10.80329 
1 1 1  -33   11   12 o  160.824   5.5212  182.314   11.643  223.805   16.001  135.621   16.974  181.101   6.5198  140.547   8.9120 40.55402 11.04231 
1 1 1  -33   11   13 o  235.267   5.3642  365.100   16.620  325.427   20.759  435.936   27.739  218.262   7.0185  252.273   8.1140 -34.01053 10.72831 
1 1 1  -33   11   14 o  240.877   5.5301  400.319   17.655  413.731   22.933  380.807   27.661  246.144   6.8754  235.610   8.6634 10.53418 11.06012 
1 1 1  -33   11   15 o  156.351   6.6306  160.958   13.484  193.261   23.277  144.644   16.542  167.438   10.259  145.264   8.4034 22.17479 13.26111 
1 1 1  -33   11   16 o  209.506   5.6202  308.166   15.544  358.404   21.020  247.549   23.090  229.127   6.7698  189.885   8.9731 39.24158 11.24036 
1 1 1  -33   11   17 o  233.794   5.1104  362.129   15.075  343.638   18.049  404.782   27.413  224.553   5.9315  243.035   8.3236 -18.48169 10.22080 
1 1 1  -33   11   18 o  168.074   4.9717  187.914   10.839  176.493   13.329  210.209   18.624  160.898   6.1133  175.249   7.8420 -14.35072 9.943315 
1 1 1  -33   11   19 o  238.832   5.3093  395.551   15.903  405.056   19.285  375.358   28.110  243.814   5.8370  233.849   8.8705 9.965546 10.61866 
1 1 1  -33   11   20 o  229.574   5.8185  359.116   18.102  359.116   18.102   0.0000   0.0000  229.574   5.8185  ?   ?       ?      ? 
1 1 1  -33   11   21 o  162.962   5.9894  181.018   13.227  181.018   13.227   0.0000   0.0000  162.962   5.9894  ?   ?       ?      ? 
1 1 1  -33   11   22 o  168.876   4.9978  184.711   10.796  166.350   12.992  225.697   19.410  156.193   6.1379  181.560   7.8892 -25.36743 9.995654 
1 1 1  -33   11   23 o  208.841   5.2763  305.428   13.907  319.289   17.061  277.978   24.010  216.456   5.8164  201.226   8.8049 15.22978 10.55256 
1 1 1  -33   11   24 o  148.286   5.0557  141.964   9.7783  121.712   12.003  181.935   16.862  133.522   6.6334  163.049   7.6315 -29.52692 10.11146 
1 1 1  -33   11   25 o  101.959   5.8508   72.333   7.8549   76.335   10.156   66.375   12.391  105.680   7.0919   98.238   9.3077 7.442513 11.70163 
1 1 1  -33   11   26 o  147.794   5.4688  154.907   10.338  168.504   13.017  131.678   17.014  157.182   6.1112  138.405   9.0712 18.77705 10.93768 
1 1 1  -33   11   27 o  205.627   5.1501  281.323   13.431  267.769   16.164  311.544   24.136  198.153   6.0196  213.100   8.3581 -14.94775 10.30014 
1 1 1  -33   11   28 o   82.757   6.6788   48.553   7.2345   54.476   9.4896   40.334   11.179   89.167   7.8535   76.347   10.805 12.81955 13.35757 
1 1 1  -33   11   29 o  152.809   5.9062  160.861   12.181  170.169   16.838  150.638   17.645  157.571   7.8853  148.047   8.7951 9.523758 11.81237 
1 1 1  -33   11   30 o  122.794   7.9476  113.826   11.999   66.157   18.099  151.203   16.027   97.092   13.756  148.497   7.9642 -51.40494 15.89513 
1 1 1  -33   11   31 o  107.218   6.0263   78.799   8.5753   78.077   11.042   79.897   13.611  106.747   7.6334  107.689   9.3272 -0.9423294 12.05260 
1 1 1  -33   11   32 o  132.751   5.4886  115.317   9.5635  100.186   11.860  143.438   16.169  120.975   7.2348  144.528   8.2557 -23.55347 10.97719 
1 1 1  -33   11   33 o  100.855   6.9986   70.264   9.5031   81.214   13.706   60.127   13.187  108.532   9.3193   93.179   10.444 15.35306 13.99726 
1 1 1  -33   11   34 o  114.437   6.6725   90.420   10.330   96.932   14.681   84.034   14.538  118.585   9.1357  110.288   9.7276 8.296417 13.34493 
1 1 1  -33   11   35 o  189.610   7.6966  246.675   19.776  246.675   19.776   0.0000   0.0000  189.610   7.6966  ?   ?       ?      ? 
1 1 1  -33   11   36 o  186.560   6.0602  243.766   15.046  276.096   20.451  205.615   22.216  200.620   7.5223  172.501   9.5037 28.11958 12.12045 
1 1 1  -33   11   37 o  184.633   5.3432  228.353   12.543  218.359   15.148  250.154   22.373  178.731   6.2541  190.535   8.6651 -11.80432 10.68631 
1 1 1  -33   11   38 o  135.083   5.7669  128.924   9.9815  137.191   12.499  114.370   16.584  141.595   6.5140  128.570   9.5183 13.02490 11.53386 
1 1 1  -33   11   39 o   62.078   8.6695   28.730   6.9377   33.083   8.9939   22.334   10.902   69.112   9.6031   55.044   14.437 14.06837 17.33892 
1 1 1  -33   11   40 o  141.172   5.8323  143.292   10.419  157.165   13.030  118.697   17.349  151.542   6.3451  130.803   9.7878 20.73930 11.66455 
1 1 1  -33   11   41 o  130.237   6.0490  114.834   10.570  100.383   13.833  135.110   16.385  120.607   8.4635  139.867   8.6446 -19.25979 12.09795 
1 1 1  -33   11   42 o   33.497   8.6839   4.7152   6.0257  -6.6307   9.6292   12.018   7.7252   25.879   11.912   41.116   12.639 -15.23701 17.36775 
1 1 1  -33   11   43 o  122.237   5.4897  103.470   9.0006   98.821   13.556  107.134   12.036  119.607   8.3637  124.867   7.1132 -5.259995 10.97947 
1 1 1  -33   11   44 o  183.483   6.2377  235.120   14.190  228.457   25.709  238.038   17.017  180.757   10.496  186.209   6.7435 -5.452240 12.47544 
1 1 1  -33   11   45 o  109.151   5.8708   83.751   8.5156   73.540   12.858   91.729   11.366  102.867   9.2237  115.436   7.2656 -12.56958 11.74159 
1 1 1  -33   11   46 o   96.467   6.0972   64.655   7.8960   63.566   11.950   65.499   10.519   95.585   9.2259   97.350   7.9739 -1.764954 12.19431 
1 1 1  -33   11   47 o   65.801   8.1761   32.322   6.8454   25.321   10.570   37.380   8.9841   58.306   13.623   73.296   9.0451 -14.98989 16.35222 
1 1 1  -33   11   48 o  146.273   5.2002  147.807   10.239  146.359   15.347  148.969   13.745  145.465   7.7855  147.080   6.8961 -1.614594 10.40049 
1 1 1  -33   11   49 o  171.045   6.3747  206.641   14.040  213.111   17.515  195.009   23.484  175.649   7.3583  166.441   10.412 9.208038 12.74940 
1 1 1  -33   11   50 o   82.321   8.8151   49.981   9.0212   51.972   11.231   46.360   15.145   86.095   9.6263   78.547   14.770 7.547836 17.63026 
1 1 1  -33   11   51 o  122.263   6.3344  105.479   10.302  110.588   13.558   98.502   15.845  126.205   7.9277  118.322   9.8818 7.883133 12.66883 
1 1 1  -33   11   52 o  124.289   6.1984  107.645   10.268  106.127   13.334  109.856   16.096  123.549   7.9640  125.029   9.5002 -1.480453 12.39677 
1 1 1  -33   11   53 o   57.985   9.6960   25.527   7.4427   25.862   9.8184   25.076   11.411   58.787   12.696   57.183   14.658 1.603699 19.39198 
1 1 1  -33   11   54 o   77.031   7.7580   41.398   8.0017   34.833   10.451   50.698   12.438   69.796   11.050   84.267   10.893 -14.47016 15.51600 
1 1 1  -33   11   55 o   35.388   9.5749   6.4714   6.7123   11.062   9.1204   1.0464   9.9146   39.847   13.826   30.929   13.250 8.917437 19.14985 
1 1 1  -33   11   56 o   97.283   6.8222   64.598   8.8105   50.595   11.345   85.879   13.986   84.367   9.9228  110.198   9.3653 -25.83064 13.64443 
1 1 1  -33   11   57 o   64.597   9.0677   31.219   7.5942   29.161   10.001   34.022   11.671   62.309   12.281   66.885   13.344 -4.576038 18.13532 
1 1 1  -33   11   58 o  110.235   7.8322   87.709   11.593   89.041   17.652   86.699   15.373  110.510   11.787  109.960   10.317 0.5504379 15.66447 
1 1 1  -33   11   59 o   69.229   13.480   36.732   12.191   0.0000   0.0000   36.732   12.191  ?   ?    69.229   13.480      ?      ? 
1 1 1  -33   11   60 o   57.254   10.568   27.425   8.7796   15.492   13.693   35.755   11.441   45.956   16.829   68.553   12.786 -22.59685 21.13517 
1 1 1  -33   11   61 o   68.772   10.309   37.597   9.3449   32.395   14.460   41.328   12.246   62.754   16.707   74.791   12.082 -12.03738 20.61840 
1 1 1  -33   11   62 o   51.101   11.396   20.941   8.6848   21.577   13.949   20.539   11.099   51.505   17.109   50.696   15.058 0.8092651 22.79180 
1 1 1  -33   11   65 o   23.492   11.453 -18.2032   11.829 -18.2032   11.829   0.0000   0.0000   23.492   11.453  ?   ?       ?      ? 
1 1 1  -33   11   66 o   38.647   15.867   7.8738   13.314   7.8738   13.314   0.0000   0.0000   38.647   15.867  ?   ?       ?      ? 
1 1 1  -33   11   67 f   73.203   10.442   43.869   10.075   34.064   14.848   52.237   13.716   63.130   16.984   83.277   12.154 -20.14701 20.88487 
1 1 1  -33   11   68 o   34.749   10.441   4.2428   8.4199   4.0921   13.514   4.3385   10.765   35.952   15.438   33.547   14.063 2.405075 20.88243 
1 1 1  -33   11   69 o   29.831   9.5954  -3.2784   8.4133  -3.1864   12.862  -3.3471   11.123   30.919   14.054   28.744   13.067 2.175079 19.19075 
1 1 1  -33   11   70 o   50.743   10.078   20.127   9.1280  -0.7783   13.464   37.908   12.417   32.761   14.681   68.725   13.812 -35.96452 20.15682 
1 1 1  -33   11   71 o   36.723   15.019   7.5669   11.870   0.0000   0.0000   7.5669   11.870  ?   ?    36.723   15.019      ?      ? 
1 1 1  -33   11   72 o   31.208   14.009  -0.9356   12.317   0.0000   0.0000  -0.9356   12.317  ?   ?    31.208   14.009      ?      ? 
1 1 1  -33   11   73 o   66.520   16.071   38.446   14.325   0.0000   0.0000   38.446   14.325  ?   ?    66.520   16.071      ?      ? 
1 1 1  -33   11   74 o   34.686   14.929   4.6842   12.694   0.0000   0.0000   4.6842   12.694  ?   ?    34.686   14.929      ?      ? 
1 1 1  -33   12    1 o   69.379   10.277   33.487   9.6625   33.487   9.6625   0.0000   0.0000   69.379   10.277  ?   ?       ?      ? 
1 1 1  -33   12    2 o  124.437   7.7100  106.464   13.001  106.464   13.001   0.0000   0.0000  124.437   7.7100  ?   ?       ?      ? 
1 1 1  -33   12    3 o  105.196   4.4674   75.243   6.1479   73.957   7.7144   77.482   10.178  104.098   5.4686  106.294   7.0657 -2.195610 8.934775 
1 1 1  -33   12    4 o  228.594   4.9252  360.464   14.021  364.150   16.848  352.162   25.286  231.032   5.3814  226.155   8.2506 4.877274 9.850490 
1 1 1  -33   12    5 o  171.524   5.2600  201.092   12.201  187.215   16.651  217.182   17.930  165.160   7.4396  177.888   7.4378 -12.72850 10.51991 
1 1 1  -33   12    6 o  123.796   4.6963  104.536   7.6121  103.519   9.5801  106.279   12.537  123.139   5.7411  124.454   7.4337 -1.314857 9.392569 
1 1 1  -33   12    7 o  117.851   4.6540   91.000   7.2555   77.071   9.1294  114.880   11.954  106.169   6.3454  129.532   6.8100 -23.36267 9.308097 
1 1 1  -33   12    8 f  101.050   6.2340   69.788   8.5367   69.788   8.5367   0.0000   0.0000  101.050   6.2340  ?   ?       ?      ? 
1 1 1  -33   12    9 o   86.176   5.6076   52.894   6.3029   62.285   8.4050   40.829   9.5274   95.433   6.4991   76.919   9.1402 18.51367 11.21525 
1 1 1  -33   12   10 o  102.722   5.1820   73.427   7.0587   78.765   9.2967   66.162   10.847  107.340   6.3912   98.105   8.1588 9.234512 10.36407 
1 1 1  -33   12   11 o  116.469   4.9085   90.063   7.6187   77.665   9.7553  109.448   12.199  106.537   6.7571  126.402   7.1215 -19.86526 9.817006 
1 1 1  -33   12   12 o  130.682   4.8075  112.849   8.3296   98.554   10.530  136.751   13.616  120.064   6.4718  141.300   7.1109 -21.23509 9.615059 
1 1 1  -33   12   13 o   60.936   6.9042   26.515   5.4399   20.662   7.8026   32.050   7.5883   53.585   11.110   68.288   8.2001 -14.70300 13.80832 
1 1 1  -33   12   14 o   30.433   8.2203   4.6155   4.6868   3.8260   7.3103   5.1665   6.1070   30.446   12.013   30.420   11.224 0.2610016E-01 16.44054 
1 1 1  -33   12   15 o   71.069   7.1189   34.525   6.7333   37.210   10.732   32.782   8.6472   73.204   10.818   68.934   9.2568 4.270096 14.23788 
1 1 1  -33   12   16 o   93.744   5.5824   60.561   7.0194   62.099   9.3580   58.582   10.614   95.206   7.2534   92.282   8.4876 2.923096 11.16470 
1 1 1  -33   12   17 o   94.399   5.4819   60.033   6.9436   53.225   9.0799   69.622   10.776   88.092   7.6060  100.705   7.8964 -12.61234 10.96380 
1 1 1  -33   12   18 o   71.860   6.3180   35.401   6.1311   31.591   8.3735   39.804   9.0019   67.687   9.1290   76.032   8.7368 -8.345497 12.63604 
1 1 1  -33   12   19 o   26.664   7.9857   0.1559   4.9984   2.4409   7.5142  -1.6576   6.6942   29.292   11.961   24.036   10.584 5.256691 15.97145 
1 1 1  -33   12   20 f   66.080   9.6730   30.178   8.6619   30.178   8.6619   0.0000   0.0000   66.080   9.6730  ?   ?       ?      ? 
1 1 1  -33   12   21 o  119.184   6.1204   98.902   9.6375  125.967   13.795   73.097   13.470  135.530   7.5111  102.839   9.6654 32.69109 12.24081 
1 1 1  -33   12   22 o  107.477   6.0854   79.529   8.8624   78.774   12.570   80.276   12.497  106.956   8.6725  107.997   8.5391 -1.041115 12.17078 
1 1 1  -33   12   23 o  108.094   6.0812   80.499   8.9014   82.200   12.442   78.716   12.740  109.304   8.3997  106.884   8.7961 2.420341 12.16250 
1 1 1  -33   12   24 o   73.738   7.4179   37.782   7.3938   37.001   10.775   38.478   10.165   72.946   10.900   74.529   10.065 -1.582260 14.83580 
1 1 1  -33   12   25 o   94.790   8.0952   66.953   9.5211   49.868   15.797   76.701   11.932   84.001   13.877  105.579   8.3398 -21.57716 16.19031 
1 1 1  -33   12   26 o  104.633   7.3050   70.462   9.9183   96.727   17.375   57.766   12.080  117.912   10.874   91.354   9.7579 26.55859 14.61006 
1 1 1  -33   12   27 o  111.117   5.6426   84.039   8.3409   80.658   10.720   89.226   13.277  108.444   7.2948  113.789   8.6104 -5.344727 11.28514 
1 1 1  -33   12   28 o  161.073   5.7951  179.504   12.579  193.941   17.418  163.768   18.185  168.038   7.6490  154.107   8.7078 13.93152 11.59022 
1 1 1  -33   12   29 o  225.439   5.8310  350.527   17.592  353.868   23.198  346.005   26.988  226.999   7.5413  223.879   8.8955 3.120178 11.66199 
1 1 1  -33   12   30 o  105.321   5.8883   76.699   8.1428   77.574   10.350   75.277   13.192  106.336   7.1824  104.307   9.3328 2.028824 11.77657 
1 1 1  -33   12   31 o  123.315   5.5103  103.083   8.8562   99.287   11.011  110.039   14.905  120.374   6.7499  126.256   8.7116 -5.882042 11.02062 
1 1 1  -33   12   32 o   50.920   9.2514   19.349   6.4049   21.423   8.3008   16.296   10.069   54.341   11.624   47.500   14.396 6.841915 18.50285 
1 1 1  -33   12   33 o  155.408   5.7946  179.507   11.152  210.353   14.073  127.446   18.282  175.401   5.9205  135.415   9.9627 39.98643 11.58913 
1 1 1  -33   12   34 o  199.378   6.0327  271.953   16.299  271.953   16.299   0.0000   0.0000  199.378   6.0327  ?   ?       ?      ? 
1 1 1  -33   12   35 o  130.701   5.5755  114.858   9.3796  108.979   11.454  126.825   16.342  126.050   6.7056  135.352   8.9096 -9.302193 11.15103 
1 1 1  -33   12   36 o   95.764   6.1057   60.342   7.6720   51.813   9.5062   76.275   12.993   86.652   8.0955  104.876   9.1422 -18.22336 12.21131 
1 1 1  -33   12   37 o  116.790   5.9184   96.783   8.8683  103.061   11.127   85.851   14.683  122.537   6.7009  111.043   9.7575 11.49363 11.83687 
1 1 1  -33   12   38 o  134.141   5.4289  119.474   9.4514  109.167   11.586  139.977   16.342  126.069   6.7817  142.213   8.4795 -16.14429 10.85785 
1 1 1  -33   12   39 o   49.079   9.2579   17.215   6.2753   13.500   8.2346   22.362   9.6917   43.196   13.003   54.961   13.182 -11.76414 18.51589 
1 1 1  -33   12   40 o   45.317   9.3824   14.261   6.2106   9.8873   8.1492   20.322   9.5925   38.328   13.078   52.305   13.456 -13.97645 18.76471 
1 1 1  -33   12   41 o   55.112   9.0377   22.031   6.5551   19.444   8.5496   25.721   10.210   51.307   12.428   58.916   13.125 -7.608997 18.07541 
1 1 1  -33   12   42 o  125.787   6.0131  114.849   9.6059  127.711   12.125   93.171   15.741  136.291   6.5651  115.283   10.076 21.00790 12.02619 
1 1 1  -33   12   43 o  171.600   5.9115  201.133   13.591  183.568   17.679  226.512   21.251  162.757   8.0157  180.443   8.6909 -17.68622 11.82298 
1 1 1  -33   12   44 o   75.478   7.2661   38.679   7.2548   33.941   9.1298   46.796   11.950   69.588   9.6816   81.368   10.837 -11.78015 14.53215 
1 1 1  -33   12   45 o   77.856   7.2996   45.518   7.0351   31.887   10.660   56.038   9.3641   65.777   12.414   89.934   7.6835 -24.15715 14.59924 
1 1 1  -33   12   46 o   56.017   9.1996   24.169   7.3968   34.948   10.067   11.522   10.905   70.277   10.571   41.757   15.060 28.52061 18.39919 
1 1 1  -33   12   47 o   56.374   8.9617   22.744   7.0412   12.866   9.4209   35.247   10.598   42.395   14.060   70.353   11.117 -27.95743 17.92344 
1 1 1  -33   12   48 o   86.020   9.5513   52.102   11.134   52.102   11.134   0.0000   0.0000   86.020   9.5513  ?   ?       ?      ? 
1 1 1  -33   12   49 o   85.846   9.5501   51.974   11.110   51.974   11.110   0.0000   0.0000   85.846   9.5501  ?   ?       ?      ? 
1 1 1  -33   12   50 o   83.963   7.3132   49.147   8.2312   43.272   10.728   57.558   12.835   78.061   10.141   89.864   10.540 -11.80317 14.62638 
1 1 1  -33   12   51 o   35.026   9.5508   6.6057   6.5408   9.3937   8.7970   3.1588   9.7814   37.635   13.532   32.418   13.482 5.216858 19.10162 
1 1 1  -33   12   52 o   48.518   9.6174   16.496   6.9360   8.5824   9.0579   27.713   10.784   36.844   13.654   60.192   13.548 -23.34818 19.23486 
1 1 1  -33   12   53 o   78.247   7.5231   43.029   7.8904   37.052   10.306   51.496   12.266   71.844   10.585   84.649   10.693 -12.80537 15.04625 
1 1 1  -33   12   54 o   64.581   9.1221   32.281   7.7241   38.341   10.396   24.815   11.540   73.030   10.505   56.132   14.916 16.89838 18.24430 
1 1 1  -33   12   55 o   55.476   9.8960   23.744   7.3944   21.622   9.8151   26.529   11.244   52.772   13.629   58.179   14.351 -5.407215 19.79199 
1 1 1  -33   12   56 o   35.536   10.339   4.4463   7.8678   9.4245   12.725   1.3651   10.011   40.113   15.843   30.959   13.290 9.154657 20.67879 
1 1 1  -33   12   57 o   58.158   14.398   26.733   11.287   0.0000   0.0000   26.733   11.287  ?   ?    58.158   14.398      ?      ? 
1 1 1  -33   12   58 o   59.079   11.016   28.777   8.9906   24.332   13.926   31.953   11.773   54.334   17.014   63.825   13.997 -9.490276 22.03176 
1 1 1  -33   12   59 o   59.106   10.503   25.224   9.0799   47.376   14.522   11.006   11.634   77.729   14.315   40.483   15.374 37.24611 21.00614 
1 1 1  -33   12   60 o   67.300   10.690   35.980   9.4150   39.909   14.604   33.187   12.316   70.025   15.770   64.575   14.436 5.450554 21.37975 
1 1 1  -33   12   61 o   83.105   9.8428   55.583   10.341   39.519   15.257   69.233   14.064   68.934   16.544   97.276   10.669 -28.34250 19.68563 
1 1 1  -33   12   62 o   93.332   13.098   66.331   16.566   66.331   16.566   0.0000   0.0000   93.332   13.098  ?   ?       ?      ? 
1 1 1  -33   12   63 o   64.615   11.404   34.202   10.072   44.781   15.140   25.803   13.491   73.983   15.593   55.247   16.646 18.73602 22.80798 
1 1 1  -33   12   64 o   60.241   10.399   30.932   9.6704   11.741   14.490   46.344   12.985   42.138   16.822   78.344   12.231 -36.20591 20.79869 
1 1 1  -33   12   65 o   68.079   10.138   40.320   10.115   12.812   14.805   64.403   13.852   42.979   17.052   93.180   10.970 -50.20103 20.27617 
1 1 1  -33   12   66 o   46.565   11.350   17.503   9.1543   9.8281   13.494   24.046   12.460   39.848   16.118   53.283   15.984 -13.43523 22.70029 
1 1 1  -33   12   67 o   54.463   11.596   25.614   9.8209   15.811   14.145   34.738   13.646   44.824   16.969   64.102   15.808 -19.27785 23.19128 
1 1 1  -33   12   68 o   74.243   10.808   46.500   10.707   32.390   15.241   60.252   15.046   60.100   17.591   88.386   12.562 -28.28556 21.61603 
1 1 1  -33   12   69 o   44.516   16.616   16.142   13.462   0.0000   0.0000   16.142   13.462  ?   ?    44.516   16.616      ?      ? 
1 1 1  -33   12   70 o   51.042   16.745   23.196   13.376   0.0000   0.0000   23.196   13.376  ?   ?    51.042   16.745      ?      ? 
1 1 1  -33   12   71 o   31.356   14.009   0.1312   12.164   0.0000   0.0000   0.1312   12.164  ?   ?    31.356   14.009      ?      ? 
1 1 1  -33   12   72 o   39.198   16.367   10.001   14.496   0.0000   0.0000   10.001   14.496  ?   ?    39.198   16.367      ?      ? 
1 1 1  -33   13    1 o  161.898   7.1375  180.583   15.659  180.583   15.659   0.0000   0.0000  161.898   7.1375  ?   ?       ?      ? 
1 1 1  -33   13    2 o  126.799   7.7079  111.031   13.244  111.031   13.244   0.0000   0.0000  126.799   7.7079  ?   ?       ?      ? 
1 1 1  -33   13    3 o   80.752   4.5264   43.257   4.8386   38.205   6.0989   51.838   7.9483   74.662   6.0280   86.843   6.7539 -12.18085 9.052714 
1 1 1  -33   13    4 o  127.346   4.7168  113.870   7.6429  119.175   9.4520  103.849   12.990  132.051   5.2820  122.642   7.8163 9.408775 9.433625 
1 1 1  -33   13    5 o  117.255   5.4352   95.194   8.6018   87.514   12.344  102.443   11.993  112.527   8.0950  121.983   7.2552 -9.456161 10.87048 
1 1 1  -33   13    6 o   41.734   6.9805   12.596   4.3533   20.192   6.0324   4.3421   6.2885   54.041   8.2372   29.427   11.272 24.61398 13.96109 
1 1 1  -33   13    7 o  157.380   4.8308  173.210   9.7028  179.903   12.006  160.607   16.474  162.230   5.4612  152.531   7.9700 9.699860 9.661592 
1 1 1  -33   13    8 o  166.775   5.5522  190.157   12.548  190.157   12.548   0.0000   0.0000  166.775   5.5522  ?   ?       ?      ? 
1 1 1  -33   13    9 o  123.839   4.7212  102.800   7.7015   95.487   9.6658  115.514   12.745  118.091   6.0400  129.586   7.2578 -11.49496 9.442338 
1 1 1  -33   13   10 o   93.212   5.1980   59.416   6.4757   57.654   8.4309   61.951   10.113   91.642   6.7889   94.783   7.8734 -3.140854 10.39610 
1 1 1  -33   13   11 o  145.317   4.7541  143.192   8.9963  138.864   11.187  151.116   15.136  142.482   5.7937  148.152   7.5391 -5.669205 9.508133 
1 1 1  -33   13   12 o  105.595   5.3474   79.473   7.3515   90.379   9.6250   64.201   11.390  114.877   6.1828   96.314   8.7264 18.56271 10.69471 
1 1 1  -33   13   13 o   70.018   7.0503   36.412   6.1208   46.732   8.3119   24.187   9.0470   82.412   7.4426   57.624   11.976 24.78805 14.10060 
1 1 1  -33   13   14 o   86.868   6.4227   53.316   7.4057   43.828   10.891   61.476   10.100   79.300   10.135   94.437   7.8922 -15.13663 12.84542 
1 1 1  -33   13   15 f   63.892   8.0831   31.036   6.4889   21.409   10.093   37.819   8.4719   53.805   13.782   73.980   8.4505 -20.17566 16.16611 
1 1 1  -33   13   16 o   96.169   5.6703   65.394   7.1756   73.067   9.4767   55.085   10.985  103.189   6.7770   89.149   9.0930 14.04041 11.34069 
1 1 1  -33   13   17 o   91.194   5.5200   56.181   6.7474   49.831   8.7881   65.300   10.531   85.075   7.6228   97.314   7.9860 -12.23876 11.04002 
1 1 1  -33   13   18 o   50.287   8.0337   18.415   5.3477   19.465   7.5520   17.359   7.5736   51.798   11.093   48.775   11.623 3.023369 16.06739 
1 1 1  -33   13   19 o   89.583   7.3756   55.200   8.9537   55.200   8.9537   0.0000   0.0000   89.583   7.3756  ?   ?       ?      ? 
1 1 1  -33   13   20 o   81.050   8.0600   45.319   8.8526   45.319   8.8526   0.0000   0.0000   81.050   8.0600  ?   ?       ?      ? 
1 1 1  -33   13   21 o  110.104   7.3587   90.361   10.175   64.335   16.180  107.390   13.088   95.361   12.520  124.847   7.7357 -29.48612 14.71747 
1 1 1  -33   13   22 o  146.378   5.2804  150.437   10.012  158.711   12.655  136.593   16.370  152.237   6.1342  140.518   8.5967 11.71889 10.56087 
1 1 1  -33   13   23 o   91.891   5.7723   55.388   6.9822   41.175   8.8824   78.373   11.296   77.161   8.4947  106.621   7.8179 -29.45933 11.54467 
1 1 1  -33   13   24 o  115.202   5.3973   91.467   8.2046   91.571   10.483   91.304   13.182  115.506   6.6972  114.898   8.4659 0.6077271 10.79459 
1 1 1  -33   13   25 o  168.725   5.2170  198.876   11.335  205.980   14.147  186.138   18.942  173.439   6.0192  164.011   8.5227 9.427399 10.43393 
1 1 1  -33   13   26 o  144.600   5.2242  143.391   9.8207  141.937   12.244  146.013   16.444  143.896   6.2791  145.304   8.3510 -1.407928 10.44831 
1 1 1  -33   13   27 o   43.923   9.6692   13.301   6.4244   18.015   9.7795   9.7224   8.5210   49.400   13.979   38.446   13.362 10.95476 19.33844 
1 1 1  -33   13   28 o  116.065   6.1834   93.920   9.6503  106.377   13.588   81.244   13.707  124.067   8.0822  108.064   9.3604 16.00278 12.36685 
1 1 1  -33   13   29 o  123.215   5.2972   99.490   8.5515   85.743   10.571  125.514   14.546  111.648   6.9871  134.781   7.9639 -23.13257 10.59449 
1 1 1  -33   13   30 o   75.403   7.3463   42.150   6.9296   50.329   9.1785   31.310   10.567   85.337   7.9369   65.468   12.364 19.86887 14.69256 
1 1 1  -33   13   31 o  141.229   5.2987  135.383   9.7663  129.682   12.152  145.781   16.413  137.402   6.5262  145.056   8.3495 -7.653641 10.59741 
1 1 1  -33   13   32 f  157.428   5.1643  167.308   10.554  158.971   13.020  183.276   18.020  152.175   6.3139  162.682   8.1739 -10.50690 10.32853 
1 1 1  -33   13   33 o   74.808   8.7589   38.901   8.8793   38.901   8.8793   0.0000   0.0000   74.808   8.7589  ?   ?       ?      ? 
1 1 1  -33   13   34 o  112.462   5.7658   87.438   8.4094   86.876   10.466   88.462   14.126  112.319   6.8762  112.606   9.2572 -0.2869644 11.53155 
1 1 1  -33   13   35 o  114.812   5.6461   89.839   8.5196   85.467   10.697   97.424   14.089  111.323   7.0908  118.301   8.7882 -6.978302 11.29215 
1 1 1  -33   13   36 o  119.780   6.3600  101.223   10.190  115.181   14.097   85.949   14.746  128.861   8.0727  110.698   9.8301 18.16388 12.72003 
1 1 1  -33   13   37 f  119.064   5.6219   94.290   8.7239   84.628   10.732  113.112   14.979  110.704   7.1537  127.424   8.6745 -16.72020 11.24379 
1 1 1  -33   13   38 o  181.610   5.6222  239.823   12.779  262.675   15.833  197.125   21.643  195.555   5.9747  167.664   9.5256 27.89151 11.24433 
1 1 1  -33   13   39 o  155.193   5.3051  160.316   10.622  146.866   12.934  188.180   18.617  145.995   6.5377  164.392   8.3567 -18.39760 10.61023 
1 1 1  -33   13   40 o  129.492   6.0331  118.286   10.434  127.031   13.986  107.309   15.668  135.325   7.6267  123.658   9.3502 11.66747 12.06622 
1 1 1  -33   13   41 o  146.262   5.7532  147.381   11.248  139.682   14.596  158.641   17.652  141.867   7.5920  150.658   8.6462 -8.791641 11.50636 
1 1 1  -33   13   42 o   74.180   9.4661   38.124   9.0590   57.217   14.908   26.946   11.407   88.979   12.363   59.380   14.338 29.59936 18.93213 
1 1 1  -33   13   43 o   83.619   7.3567   50.067   8.2369   52.866   11.055   46.574   12.350   86.618   9.4181   80.620   11.304 5.997139 14.71334 
1 1 1  -33   13   44 o   72.521   8.4656   39.324   7.9149   46.272   10.824   31.340   11.603   80.819   9.8829   64.223   13.747 16.59553 16.93116 
1 1 1  -33   13   45 o   88.069   7.0200   54.563   8.3254   50.885   11.048   59.396   12.664   84.789   9.6155   91.348   10.231 -6.559402 14.04004 
1 1 1  -33   13   46 o   92.077   7.1531   60.865   8.7884   63.714   11.654   57.109   13.381   95.044   9.0485   89.111   11.081 5.932495 14.30624 
1 1 1  -33   13   47 f   85.030   9.6086   51.334   11.072   51.334   11.072   0.0000   0.0000   85.030   9.6086  ?   ?       ?      ? 
1 1 1  -33   13   48 o   64.101   11.973   30.738   10.018   30.738   10.018   0.0000   0.0000   64.101   11.973  ?   ?       ?      ? 
1 1 1  -33   13   49 o   69.245   8.5207   34.582   7.6641   25.278   10.059   47.457   11.833   57.372   13.211   81.117   10.765 -23.74438 17.04145 
1 1 1  -33   13   50 o  122.605   6.1619  102.321   10.041   85.087   12.800  129.896   16.192  109.748   8.6068  135.462   8.8204 -25.71415 12.32386 
1 1 1  -33   13   51 o   60.495   9.7027   30.863   8.8912   8.4363   13.639   47.440   11.725   40.017   16.198   80.973   10.686 -40.95694 19.40532 
1 1 1  -33   13   52 o   53.989   11.148   22.448   8.5769   29.752   13.728   17.770   10.985   60.356   16.370   47.622   15.137 12.73364 22.29575 
1 1 1  -33   13   53 o  125.896   7.4239  116.748   12.404  100.623   18.558  129.770   16.677  116.901   11.714  134.891   9.1232 -17.99007 14.84787 
1 1 1  -33   13   54 o   56.266   10.764   24.483   8.3732   32.818   13.262   18.958   10.798   63.699   15.508   48.832   14.931 14.86737 21.52810 
1 1 1  -33   13   55 o   37.226   10.588   7.5116   8.0039   6.2715   13.347   8.2081   10.002   37.804   15.738   36.649   14.169 1.155643 21.17640 
1 1 1  -33   13   56 o   51.820   14.776   21.629   10.883   0.0000   0.0000   21.629   10.883  ?   ?    51.820   14.776      ?      ? 
1 1 1  -33   13   57 o   74.665   9.9936   43.785   9.6833   42.524   15.196   44.648   12.564   71.987   15.993   77.344   11.988 -5.357292 19.98725 
1 1 1  -33   13   58 o   78.169   10.163   50.022   10.145   37.524   15.451   59.494   13.452   66.528   17.058   89.809   11.053 -23.28077 20.32543 
1 1 1  -33   13   59 o   61.560   10.987   32.263   9.4051   23.333   14.166   39.302   12.577   52.491   17.232   70.630   13.634 -18.13925 21.97362 
1 1 1  -33   13   60 o   64.715   10.237   36.705   9.8401   12.938   14.882   55.168   13.117   43.255   17.117   86.175   11.232 -42.91940 20.47342 
1 1 1  -33   13   61 o   84.351   13.974   55.599   15.973   55.599   15.973   0.0000   0.0000   84.351   13.974  ?   ?       ?      ? 
1 1 1  -33   13   62 o   57.827   11.402   29.162   9.7796   18.845   14.567   37.627   13.195   47.777   17.379   67.877   14.765 -20.09963 22.80462 
1 1 1  -33   13   63 o   68.966   10.530   42.139   10.292   18.770   15.359   61.184   13.865   47.616   17.753   90.316   11.328 -42.69987 21.05957 
1 1 1  -33   13   64 o   50.581   10.500   21.253   9.2121   3.3974   13.915   35.183   12.291   35.488   15.451   65.674   14.222 -30.18679 21.00056 
1 1 1  -33   13   65 o   34.391   10.170   1.8193   8.3407   13.700   12.882  -6.7569   10.945   42.292   16.149   26.489   12.366 15.80267 20.33981 
1 1 1  -33   13   66 o   37.133   10.822   7.6873   8.7328   10.405   13.321   5.6388   11.565   39.549   16.009   34.716   14.566 4.833023 21.64332 
1 1 1  -33   13   67 o   64.442   11.590   36.585   10.076   37.470   15.405   35.922   13.321   64.206   17.311   64.677   15.416 -0.4708862 23.18007 
1 1 1  -33   13   68 o   59.906   15.894   31.722   13.116   0.0000   0.0000   31.722   13.116  ?   ?    59.906   15.894      ?      ? 
1 1 1  -33   13   69 o   79.596   14.734   53.687   15.307   0.0000   0.0000   53.687   15.307  ?   ?    79.596   14.734      ?      ? 
1 1 1  -33   13   70 o   78.470   15.269   53.508   15.652   0.0000   0.0000   53.508   15.652  ?   ?    78.470   15.269      ?      ? 
1 1 1  -33   13   71 o   25.741   12.314 -10.4685   12.166   0.0000   0.0000 -10.4685   12.166  ?   ?    25.741   12.314      ?      ? 
1 1 1  -33   13   72 o   40.254   16.328   13.408   13.888   0.0000   0.0000   13.408   13.888  ?   ?    40.254   16.328      ?      ? 
1 1 1  -33   14    1 o   73.805   9.9885   38.492   9.9900   38.492   9.9900   0.0000   0.0000   73.805   9.9885  ?   ?       ?      ? 
1 1 1  -33   14    2 o   75.791   9.8484   40.514   10.115   40.514   10.115   0.0000   0.0000   75.791   9.8484  ?   ?       ?      ? 
1 1 1  -33   14    3 o  103.823   4.5689   72.497   6.1534   68.376   7.5749   80.493   10.551   99.810   5.6004  107.836   7.2204 -8.025742 9.137733 
1 1 1  -33   14    4 o   73.431   5.2936   37.616   5.1016   38.423   6.5001   36.321   8.2326   74.680   6.4229   72.182   8.4164 2.497688 10.58723 
1 1 1  -33   14    5 o  115.369   4.6331   88.941   6.9623   82.239   8.5885  101.786   11.891  109.437   5.7912  121.300   7.2336 -11.86313 9.266266 
1 1 1  -33   14    6 o   96.676   5.1539   65.740   6.4422   68.623   8.1002   60.777   10.627   99.934   5.9813   93.418   8.3949 6.516090 10.30779 
1 1 1  -33   14    7 o   37.367   7.6083   9.6943   4.2408   5.6714   5.7702   14.419   6.2535   30.399   10.956   44.335   10.560 -13.93601 15.21663 
1 1 1  -33   14    8 o   55.705   8.8107   21.654   6.6510   21.654   6.6510   0.0000   0.0000   55.705   8.8107  ?   ?       ?      ? 
1 1 1  -33   14    9 o  106.311   5.1276   79.274   7.1048   82.787   9.0234   73.544   11.525  109.770   6.0660  102.852   8.2687 6.917473 10.25516 
1 1 1  -33   14   10 o   87.948   5.3579   52.810   6.3291   48.283   8.3037   59.086   9.7772   83.572   7.3321   92.325   7.8147 -8.752731 10.71588 
1 1 1  -33   14   11 o  101.109   5.5362   74.152   7.2026   86.311   9.3941   56.810   11.219  112.064   6.1859   90.155   9.1832 21.90961 11.07233 
1 1 1  -33   14   12 o   69.927   6.1337   34.240   5.7637   35.772   7.7830   32.379   8.5768   71.811   7.9979   68.042   9.3017 3.769112 12.26731 
1 1 1  -33   14   13 o   63.105   6.5386   28.030   5.5425   29.829   7.5284   25.901   8.1898   65.485   8.4836   60.726   9.9521 4.758591 13.07727 
1 1 1  -33   14   14 o  116.147   5.7567   93.550   9.0462  101.072   12.993   86.474   12.602  120.741   7.9411  111.552   8.3366 9.188255 11.51345 
1 1 1  -33   14   15 o   93.443   5.4289   58.741   6.7763   49.715   8.7557   72.223   10.701   84.758   7.6231  102.128   7.7318 -17.36985 10.85780 
1 1 1  -33   14   16 o  104.664   5.9206   76.288   8.3532   66.992   11.737   85.830   11.891   98.040   8.8344  111.288   7.8845 -13.24725 11.84111 
1 1 1  -33   14   17 o  111.305   6.8029   87.846   9.9201   82.259   15.916   91.394   12.685  107.863   10.889  114.748   8.1578 -6.885887 13.60584 
1 1 1  -33   14   18 o  100.811   6.9513   70.083   9.4964   70.083   9.4964   0.0000   0.0000  100.811   6.9513  ?   ?       ?      ? 
1 1 1  -33   14   19 o   93.671   7.4224   60.657   9.4217   60.657   9.4217   0.0000   0.0000   93.671   7.4224  ?   ?       ?      ? 
1 1 1  -33   14   20 o   61.310   7.1735   26.338   5.9394   25.289   8.0151   27.616   8.8454   60.025   9.8536   62.595   10.428 -2.569744 14.34690 
1 1 1  -33   14   21 o   65.036   7.3526   30.770   6.1806   34.322   8.2938   26.335   9.2685   70.186   8.7200   59.885   11.841 10.30161 14.70517 
1 1 1  -33   14   22 o   98.681   5.5815   66.211   7.3165   61.325   9.3257   74.034   11.800   94.199   7.3055  103.162   8.4406 -8.963249 11.16307 
1 1 1  -33   14   23 o   93.172   5.7698   58.399   7.1544   50.534   9.1258   70.941   11.525   85.364   7.8889  100.980   8.4219 -15.61648 11.53959 
1 1 1  -33   14   24 o   97.442   5.8591   67.057   7.4806   70.663   9.6034   61.493   11.929  101.181   7.0040   93.703   9.3946 7.477913 11.71813 
1 1 1  -33   14   25 o   66.714   6.6921   30.428   5.9750   25.727   7.7786   37.195   9.3317   60.581   9.4751   72.847   9.4529 -12.26682 13.38410 
1 1 1  -33   14   26 o   54.252   9.0347   21.950   6.5012   22.151   9.7748   21.791   8.7060   54.301   13.372   54.203   12.153 0.9703064E-01 18.06942 
1 1 1  -33   14   27 o  105.601   6.2338   78.150   8.8803   85.628   12.477   70.473   12.642  110.917   8.3010  100.285   9.3024 10.63200 12.46762 
1 1 1  -33   14   28 o  113.125   5.5035   87.625   8.1449   84.387   10.181   93.381   13.574  110.581   6.7943  115.670   8.6597 -5.089104 11.00698 
1 1 1  -33   14   29 o   76.414   6.4441   39.047   6.5130   30.275   8.3000   53.104   10.507   65.692   9.3236   87.136   8.8982 -21.44360 12.88827 
1 1 1  -33   14   30 o  101.616   6.2311   72.641   8.5250   78.534   11.769   66.135   12.366  106.199   8.1776   97.034   9.4041 9.164413 12.46230 
1 1 1  -33   14   31 o   90.793   6.5064   57.421   7.9339   47.640   10.774   69.006   11.726   82.246   9.6671   99.340   8.7109 -17.09429 13.01275 
1 1 1  -33   14   32 o   88.152   8.8592   54.431   10.583   54.431   10.583   0.0000   0.0000   88.152   8.8592  ?   ?       ?      ? 
1 1 1  -33   14   33 o  102.932   6.1035   72.587   8.4193   60.689   11.070   88.915   12.968   93.079   8.7762  112.784   8.4846 -19.70517 12.20693 
1 1 1  -33   14   34 o   74.300   7.4260   39.116   7.0603   27.542   9.4286   53.890   10.653   60.987   11.835   87.612   8.9725 -26.62576 14.85202 
1 1 1  -33   14   35 f   64.563   8.4258   31.430   7.0495   40.439   9.8120   21.818   10.135   75.679   9.5676   53.446   13.872 22.23259 16.85169 
1 1 1  -33   14   36 o   74.176   7.2469   38.879   7.2601   36.094   9.7922   42.278   10.819   71.283   10.137   77.069   10.359 -5.786095 14.49388 
1 1 1  -33   14   37 o  115.118   5.9766   91.412   9.2382   82.254   12.105  104.185   14.296  108.419   8.2392  121.817   8.6600 -13.39790 11.95326 
1 1 1  -33   14   38 o   53.201   9.2587   21.314   6.6677   17.255   9.0642   26.100   9.8429   47.613   13.453   58.789   12.724 -11.17590 18.51746 
1 1 1  -33   14   39 o   46.984   9.0971   16.428   6.6955   26.569   9.3243   5.6316   9.6204   59.604   11.960   34.365   13.711 25.23931 18.19411 
1 1 1  -33   14   40 o   80.851   9.8349   58.263   9.8826   18.136   15.012   88.955   13.129   49.284   17.681  112.419   8.6180 -63.13506 19.66973 
1 1 1  -33   14   41 o   33.025   9.8569   2.9936   7.2554   1.7623   12.591   3.6057   8.8774   34.502   14.860   31.547   12.955 2.955219 19.71388 
1 1 1  -33   14   42 o   74.725   8.2459   42.845   7.7182   55.107   10.589   28.947   11.273   88.295   8.8499   61.156   13.916 27.13966 16.49179 
1 1 1  -33   14   43 o   55.577   8.8153   22.730   6.8212   13.113   9.1843   34.562   10.187   42.012   13.879   69.142   10.872 -27.12923 17.63053 
1 1 1  -33   14   44 o   39.707   9.8480   11.189   6.5995   12.879   9.0808   9.2977   9.6076   41.634   13.803   37.781   14.050 3.853111 19.69605 
1 1 1  -33   14   45 o   53.306   10.567   23.360   8.0977   16.853   13.190   27.295   10.258   47.062   16.607   59.550   13.071 -12.48851 21.13350 
1 1 1  -33   14   46 o   30.627   13.594  -1.3685   11.260  -1.3685   11.260   0.0000   0.0000   30.627   13.594  ?   ?       ?      ? 
1 1 1  -33   14   47 o   54.949   10.543   24.647   8.1487   19.711   12.615   28.182   10.675   49.690   16.259   60.207   13.426 -10.51625 21.08562 
1 1 1  -33   14   48 o   87.585   8.2344   56.376   9.6031   57.294   15.046   55.745   12.475   87.528   12.685   87.641   10.503 -0.1129608 16.46882 
1 1 1  -33   14   49 o   60.672   10.612   29.524   8.5077   29.737   13.824   29.394   10.794   59.931   16.499   61.413   13.351 -1.482460 21.22433 
1 1 1  -33   14   50 o   63.317   10.469   30.045   8.6031   42.108   14.511   23.507   10.683   72.382   15.274   54.252   14.321 18.12968 20.93765 
1 1 1  -33   14   51 o   40.596   10.418   6.8104   7.7736   23.579   13.427  -1.6446   9.5341   53.266   16.711   27.925   12.445 25.34073 20.83592 
1 1 1  -33   14   52 o  103.549   8.2017   78.638   11.342   85.222   17.852   74.181   14.687  106.523   12.367  100.574   10.776 5.948776 16.40346 
1 1 1  -33   14   53 o  116.942   7.9267  103.203   12.206   87.387   18.502  115.391   16.241  107.443   12.708  126.442   9.4786 -18.99901 15.85332 
1 1 1  -33   14   54 o   94.052   11.256   65.576   14.347   0.0000   0.0000   65.576   14.347  ?   ?    94.052   11.256      ?      ? 
1 1 1  -33   14   55 o   63.699   14.743   32.967   12.474   0.0000   0.0000   32.967   12.474  ?   ?    63.699   14.743      ?      ? 
1 1 1  -33   14   56 o   52.531   11.372   23.307   8.8683   21.506   13.485   24.680   11.772   50.521   16.824   54.540   15.304 -4.018917 22.74348 
1 1 1  -33   14   57 o   67.270   10.203   38.838   9.4791   19.990   14.051   54.581   12.842   48.871   17.149   85.670   11.061 -36.79979 20.40674 
1 1 1  -33   14   58 o   58.138   11.198   28.400   8.9679   29.940   13.942   27.313   11.712   58.866   16.703   57.409   14.919 1.456638 22.39567 
1 1 1  -33   14   59 o   38.498   10.181   6.9627   8.5081  -8.0483   12.422   20.227   11.677   27.913   13.077   49.083   15.607 -21.16999 20.36127 
1 1 1  -33   14   60 o   31.844   14.175  -0.0765   12.330  -0.0765   12.330   0.0000   0.0000   31.844   14.175  ?   ?       ?      ? 
1 1 1  -33   14   61 o   39.496   10.864   10.951   8.5269   6.4600   13.076   14.274   11.247   36.635   15.436   42.358   15.292 -5.723194 21.72756 
1 1 1  -33   14   62 o   34.249   10.373   4.3479   8.5771   2.6206   13.059   5.6582   11.374   33.944   14.869   34.554   14.468 -0.6099243 20.74630 
1 1 1  -33   14   63 o   34.564   10.359   5.1882   8.3190   6.7726   12.801   4.0297   10.946   36.318   15.285   32.810   13.985 3.507992 20.71800 
1 1 1  -33   14   64 o   26.876   8.9293  -7.3499   8.1776  -6.1018   12.529  -8.2761   10.793   28.446   13.263   25.306   11.959 3.140142 17.85852 
1 1 1  -33   14   65 o   46.255   11.138   17.832   9.4382   5.0300   13.690   29.429   13.030   35.394   15.368   57.117   16.127 -21.72338 22.27667 
1 1 1  -33   14   66 o   26.117   8.7212 -11.8670   8.3268   0.6594   12.196 -22.8044   11.396   31.302   14.004   20.933   10.399 10.36950 17.44245 
1 1 1  -33   14   67 o   59.619   16.959   33.730   14.354   0.0000   0.0000   33.730   14.354  ?   ?    59.619   16.959      ?      ? 
1 1 1  -33   14   68 o   65.217   16.635   40.029   14.748   0.0000   0.0000   40.029   14.748  ?   ?    65.217   16.635      ?      ? 
1 1 1  -33   14   69 o   41.521   16.248   15.443   13.273   0.0000   0.0000   15.443   13.273  ?   ?    41.521   16.248      ?      ? 
1 1 1  -33   14   70 o   28.425   13.223  -3.5386   12.342   0.0000   0.0000  -3.5386   12.342  ?   ?    28.425   13.223      ?      ? 
1 1 1  -33   14   71 o   25.622   12.214  -8.0373   11.746   0.0000   0.0000  -8.0373   11.746  ?   ?    25.622   12.214      ?      ? 
1 1 1  -33   15    1 o   72.243   14.986   40.806   14.190   40.806   14.190   0.0000   0.0000   72.243   14.986  ?   ?       ?      ? 
1 1 1  -33   15    2 o   90.366   12.389   59.967   15.171   59.967   15.171   0.0000   0.0000   90.366   12.389  ?   ?       ?      ? 
1 1 1  -33   15    3 o   58.479   15.973   27.266   13.016   27.266   13.016   0.0000   0.0000   58.479   15.973  ?   ?       ?      ? 
1 1 1  -33   15    4 o  106.900   11.665   83.012   16.899   83.012   16.899   0.0000   0.0000  106.900   11.665  ?   ?       ?      ? 
1 1 1  -33   15    5 o   81.916   13.563   49.838   15.056   49.838   15.056   0.0000   0.0000   81.916   13.563  ?   ?       ?      ? 
1 1 1  -33   15    6 o   56.897   16.693   25.861   13.709   25.861   13.709   0.0000   0.0000   56.897   16.693  ?   ?       ?      ? 
1 1 1  -33   15    7 o  108.682   11.752   85.669   17.309   85.669   17.309   0.0000   0.0000  108.682   11.752  ?   ?       ?      ? 
1 1 1  -33   15    8 o   44.008   16.017   13.458   12.375   13.458   12.375   0.0000   0.0000   44.008   16.017  ?   ?       ?      ? 
1 1 1  -33   15    9 o   41.285   8.6383   12.722   5.2152   10.804   7.5917   14.436   7.1767   38.688   12.611   43.882   11.809 -5.193634 17.27669 
1 1 1  -33   15   10 o   77.872   6.3432   42.555   6.6197   34.614   9.0624   51.640   9.6928   69.908   9.5660   85.837   8.3328 -15.92877 12.68643 
1 1 1  -33   15   11 o   79.745   6.1944   44.457   6.6712   39.889   9.0830   49.807   9.8301   75.274   8.9043   84.215   8.6136 -8.940895 12.38876 
1 1 1  -33   15   12 o   34.210   8.9204   7.3036   5.3906   5.4936   8.9822   8.3226   6.7392   33.604   13.298   34.817   11.893 -1.213108 17.84082 
1 1 1  -33   15   13 f   25.148   10.720   0.5500   6.4323   0.0000   0.0000   0.5500   6.4323  ?   ?    25.148   10.720      ?      ? 
1 1 1  -33   15   14 o   46.813   8.6926   16.362   5.5972   19.023   8.2337   14.076   7.6317   50.269   12.208   43.357   12.377 6.911858 17.38511 
1 1 1  -33   15   15 o   56.909   7.8633   23.824   5.9207   20.311   8.4885   27.153   8.2624   51.949   12.256   61.870   9.8548 -9.920589 15.72661 
1 1 1  -33   15   16 o   30.516   7.9990   4.0091   5.0141  -3.7053   7.5712   10.036   6.6919   23.751   10.791   37.281   11.811 -13.53016 15.99809 
1 1 1  -33   15   17 o   39.445   8.5366   10.793   5.4438   4.1917   7.7074   17.365   7.6899   30.774   12.274   48.116   11.868 -17.34225 17.07316 
1 1 1  -33   15   18 o   55.189   11.976   22.793   8.6995   22.793   8.6995   0.0000   0.0000   55.189   11.976  ?   ?       ?      ? 
1 1 1  -33   15   19 o   44.917   8.5575   15.388   5.6494   8.5039   8.3445   21.213   7.6762   36.263   13.159   53.572   10.944 -17.30880 17.11503 
1 1 1  -33   15   20 o   54.882   8.3579   22.409   6.0523   27.583   8.8170   17.799   8.3229   61.233   11.031   48.530   12.559 12.70274 16.71581 
1 1 1  -33   15   21 o   44.099   9.1466   14.398   5.8880   17.928   8.6014   11.286   8.0770   48.628   12.857   39.569   13.013 9.058891 18.29312 
1 1 1  -33   15   22 o   84.541   6.5781   50.339   7.5248   47.646   10.307   53.413   11.012   82.143   9.2591   86.939   9.3465 -4.795570 13.15628 
1 1 1  -33   15   23 o   75.955   7.2685   41.688   7.3644   47.166   10.094   35.454   10.768   81.770   9.1096   70.141   11.329 11.62850 14.53692 
1 1 1  -33   15   24 o   45.319   8.9399   15.282   6.1200   22.656   8.6058   7.7371   8.7050   54.996   11.893   35.642   13.350 19.35323 17.87976 
1 1 1  -33   15   25 o   67.291   9.8167   33.716   8.3560   35.755   14.500   32.702   10.225   67.209   16.126   67.373   11.199 -0.1647797 19.63349 
1 1 1  -33   15   26 o  110.307   7.5479   85.478   10.904   94.165   18.218   80.629   13.611  113.911   11.802  106.702   9.4132 7.209473 15.09587 
1 1 1  -33   15   27 o   46.173   9.4572   16.204   6.4745   21.055   9.0008   11.002   9.3202   52.614   12.756   39.733   13.965 12.88053 18.91442 
1 1 1  -33   15   28 o   79.381   7.0599   44.999   7.5581   45.837   10.270   44.008   11.164   80.403   9.4255   78.359   10.513 2.044250 14.11972 
1 1 1  -33   15   29 o  108.982   6.0913   83.066   8.9293   79.150   11.821   88.269   13.627  106.199   8.2136  111.765   8.9974 -5.565834 12.18267 
1 1 1  -33   15   30 o   72.176   7.8662   38.457   7.4051   42.139   10.073   34.126   10.924   76.955   9.6588   67.396   12.418 9.558853 15.73241 
1 1 1  -33   15   31 o   87.035   9.0039   53.599   10.620   53.599   10.620   0.0000   0.0000   87.035   9.0039  ?   ?       ?      ? 
1 1 1  -33   15   32 o   90.050   6.9602   59.175   8.2751   69.003   11.256   47.615   12.208   99.001   8.3898   81.099   11.108 17.90195 13.92038 
1 1 1  -33   15   33 o   91.273   6.7815   59.655   8.3050   61.779   11.136   56.994   12.466   93.471   8.7916   89.074   10.328 4.397446 13.56292 
1 1 1  -33   15   34 f   89.871   6.7211   56.822   8.1326   50.338   10.811   65.274   12.343   84.047   9.4920   95.694   9.5182 -11.64698 13.44228 
1 1 1  -33   15   35 o   33.794   8.9207   5.0531   6.1817   12.921   8.5834  -3.4251   8.9101   41.549   13.399   26.038   11.781 15.51080 17.84146 
1 1 1  -33   15   36 o   52.531   10.216   22.517   7.7656   15.009   12.200   27.632   10.069   44.965   15.960   60.096   12.758 -15.13095 20.43262 
1 1 1  -33   15   37 o   76.512   9.0740   44.963   8.8831   39.506   13.805   48.819   11.605   70.799   14.862   82.226   10.415 -11.42693 18.14806 
1 1 1  -33   15   38 f   33.607   9.3125   4.2194   7.0315  -8.2188   11.417   11.821   8.9253   27.060   12.631   40.155   13.687 -13.09491 18.62497 
1 1 1  -33   15   39 o   50.641   13.851   20.141   9.7798   0.0000   0.0000   20.141   9.7798  ?   ?    50.641   13.851      ?      ? 
1 1 1  -33   15   40 o   33.893   9.5986   1.9413   6.8297   13.645   11.600  -4.2692   8.4496   43.132   15.535   24.654   11.278 18.47763 19.19714 
1 1 1  -33   15   41 f   55.197   9.7169   25.118   7.8369   13.362   12.279   33.197   10.180   43.076   15.911   67.317   11.159 -24.24183 19.43380 
1 1 1  -33   15   42 o   36.480   10.070   7.6051   6.9904   9.6423   11.526   6.4199   8.7917   39.137   15.189   33.822   13.226 5.314701 20.14036 
1 1 1  -33   15   43 o   39.030   10.177   10.544   7.2649   5.6625   11.771   13.547   9.2334   35.925   14.852   42.136   13.916 -6.211277 20.35328 
1 1 1  -33   15   44 o   57.018   10.927   27.000   8.8067   21.342   13.168   31.579   11.846   50.988   16.608   63.047   14.206 -12.05857 21.85484 
1 1 1  -33   15   45 o   30.847   13.609  -0.3347   11.118  -0.3347   11.118   0.0000   0.0000   30.847   13.609  ?   ?       ?      ? 
1 1 1  -33   15   46 o   53.256   9.0918   22.581   8.3465  -0.4454   12.642   40.373   11.113   32.506   14.417   74.006   11.081 -41.49978 18.18360 
1 1 1  -33   15   47 o   53.923   11.142   23.236   8.5931   29.864   13.520   18.744   11.131   59.719   16.266   48.127   15.231 11.59182 22.28316 
1 1 1  -33   15   48 o   88.012   8.4584   58.459   9.8797   55.610   15.304   60.494   12.936   85.195   13.256   90.829   10.510 -5.633919 16.91687 
1 1 1  -33   15   49 o   40.487   10.461   11.987   7.7263   6.2328   12.433   15.607   9.8617   36.605   15.210   44.368   14.368 -7.763290 20.92269 
1 1 1  -33   15   50 o   42.525   10.197   9.7033   7.6811   26.347   12.647  -0.0241   9.6685   56.015   15.914   29.035   12.754 26.97986 20.39391 
1 1 1  -33   15   51 o   46.030   11.146   16.890   8.2314   18.759   13.130   15.679   10.565   47.718   16.587   44.341   14.893 3.376820 22.29172 
1 1 1  -33   15   52 o   33.212   10.068   3.1846   7.9366   2.7627   12.862   3.4440   10.086   34.377   14.911   32.048   13.532 2.329380 20.13615 
1 1 1  -33   15   53 o   33.737   14.053   4.9185   10.652   0.0000   0.0000   4.9185   10.652  ?   ?    33.737   14.053      ?      ? 
1 1 1  -33   15   54 o   34.352   10.034   2.4957   7.9534   13.414   12.316  -5.3151   10.417   42.090   15.857   26.615   12.300 15.47571 20.06826 
1 1 1  -33   15   55 o   32.934   9.6726   0.9186   8.1665 -13.5139   12.290   12.329   10.928   25.435   12.223   40.434   14.995 -14.99859 19.34517 
1 1 1  -33   15   56 o   39.054   10.618   10.042   8.5089   1.0957   12.964   16.814   11.278   33.070   14.637   45.038   15.386 -11.96882 21.23571 
1 1 1  -33   15   57 f   37.279   10.562   8.3119   8.4382   2.0190   12.583   13.454   11.375   33.147   14.555   41.411   15.310 -8.264389 21.12481 
1 1 1  -33   15   58 o   42.994   16.525   14.784   13.543   14.784   13.543   0.0000   0.0000   42.994   16.525  ?   ?       ?      ? 
1 1 1  -33   15   59 o   39.417   11.094   11.105   8.8208   11.821   13.488   10.571   11.660   40.340   16.186   38.494   15.177 1.845814 22.18859 
1 1 1  -33   15   60 o   31.137   9.7049   0.1800   8.3508  -7.9873   12.630   6.5233   11.131   27.650   13.027   34.623   14.389 -6.973505 19.40976 
1 1 1  -33   15   61 o   35.562   10.540   5.9149   8.6636   12.640   13.042   0.6039   11.590   40.363   16.008   30.761   13.714 9.602577 21.07939 
1 1 1  -33   15   62 o   50.138   11.087   21.176   9.5813   37.743   14.012   6.6287   13.131   64.569   16.076   35.707   15.271 28.86190 22.17341 
1 1 1  -33   15   63 o   40.951   11.295   13.746   9.2231   18.331   13.025   9.1360   13.062   44.747   16.410   37.155   15.526 7.592690 22.59074 
1 1 1  -33   15   64 o   39.654   11.196   12.519   9.2306   8.0627   12.998   17.054   13.111   36.090   15.307   43.218   16.342 -7.127972 22.39162 
1 1 1  -33   15   65 o   28.364   13.144  -3.3512   12.015   0.0000   0.0000  -3.3512   12.015  ?   ?    28.364   13.144      ?      ? 
1 1 1  -33   15   66 o   30.946   13.955   1.3370   12.381   0.0000   0.0000   1.3370   12.381  ?   ?    30.946   13.955      ?      ? 
1 1 1  -33   15   67 o   86.313   13.792   64.876   16.132   0.0000   0.0000   64.876   16.132  ?   ?    86.313   13.792      ?      ? 
1 1 1  -33   15   68 o   64.050   16.757   41.502   14.712   0.0000   0.0000   41.502   14.712  ?   ?    64.050   16.757      ?      ? 
1 1 1  -33   15   69 o   35.195   15.150   9.2590   13.075   0.0000   0.0000   9.2590   13.075  ?   ?    35.195   15.150      ?      ? 
1 1 1  -33   16    5 o   54.067   16.867   24.090   13.701   24.090   13.701   0.0000   0.0000   54.067   16.867  ?   ?       ?      ? 
1 1 1  -33   16    6 o   56.086   16.113   25.713   12.894   25.713   12.894   0.0000   0.0000   56.086   16.113  ?   ?       ?      ? 
1 1 1  -33   16    7 o   60.411   16.974   30.307   14.471   30.307   14.471   0.0000   0.0000   60.411   16.974  ?   ?       ?      ? 
1 1 1  -33   16    9 o   90.740   13.550   62.223   16.662   62.223   16.662   0.0000   0.0000   90.740   13.550  ?   ?       ?      ? 
1 1 1  -33   16   10 o   80.309   14.919   50.746   15.639   50.746   15.639   0.0000   0.0000   80.309   14.919  ?   ?       ?      ? 
1 1 1  -33   16   11 o   54.288   16.769   24.100   13.580   24.100   13.580   0.0000   0.0000   54.288   16.769  ?   ?       ?      ? 
1 1 1  -33   16   12 o   60.926   16.519   30.436   13.981   30.436   13.981   0.0000   0.0000   60.926   16.519  ?   ?       ?      ? 
1 1 1  -33   16   13 o   32.205   14.313  -1.3021   12.523  -1.3021   12.523   0.0000   0.0000   32.205   14.313  ?   ?       ?      ? 
1 1 1  -33   16   14 o   64.159   16.168   33.461   14.052   33.461   14.052   0.0000   0.0000   64.159   16.168  ?   ?       ?      ? 
1 1 1  -33   16   15 f   54.840   12.556   23.086   9.1296   23.086   9.1296   0.0000   0.0000   54.840   12.556  ?   ?       ?      ? 
1 1 1  -33   16   16 o   84.065   8.8767   50.197   10.112   50.197   10.112   0.0000   0.0000   84.065   8.8767  ?   ?       ?      ? 
1 1 1  -33   16   17 o   80.436   8.9950   46.014   9.8047   46.014   9.8047   0.0000   0.0000   80.436   8.9950  ?   ?       ?      ? 
1 1 1  -33   16   18 o   84.140   7.5256   52.284   8.3783   44.048   12.526   58.953   11.271   77.308   11.956   90.973   9.1426 -13.66537 15.05112 
1 1 1  -33   16   19 o   55.285   9.5834   24.033   7.0280   22.550   11.254   24.981   8.9983   53.193   14.977   57.376   11.961 -4.183010 19.16679 
1 1 1  -33   16   20 o   38.663   9.1476   10.657   6.2843   1.4400   10.141   16.403   8.0070   31.122   13.369   46.204   12.490 -15.08204 18.29526 
1 1 1  -33   16   21 o   59.065   9.4411   25.999   7.2962   34.050   11.670   20.832   9.3484   66.380   13.435   51.749   13.268 14.63035 18.88223 
1 1 1  -33   16   22 o   63.327   9.5285   30.558   7.8289   34.609   12.285   27.789   10.159   66.547   14.063   60.108   12.861 6.439102 19.05691 
1 1 1  -33   16   23 o   72.474   9.0482   40.569   8.4119   35.038   13.027   44.524   11.016   66.471   14.838   78.476   10.359 -12.00477 18.09648 
1 1 1  -33   16   24 o   70.056   11.437   35.986   10.857   0.0000   0.0000   35.986   10.857  ?   ?    70.056   11.437      ?      ? 
1 1 1  -33   16   25 o   73.302   9.3580   43.646   8.6595   26.705   12.966   57.287   11.635   57.222   16.063   89.381   9.6058 -32.15830 18.71597 
1 1 1  -33   16   26 o   67.316   9.4667   34.723   8.2573   37.554   12.718   32.660   10.857   69.334   14.018   65.299   12.726 4.034988 18.93335 
1 1 1  -33   16   27 o   39.230   10.313   9.5882   7.2558   14.749   11.564   6.2373   9.3182   44.242   15.556   34.219   13.544 10.02378 20.62547 
1 1 1  -33   16   28 o   68.920   9.6548   36.271   8.5944   41.369   13.482   32.780   11.155   72.673   14.199   65.166   13.086 7.507660 19.30953 
1 1 1  -33   16   29 o   75.828   14.487   45.229   14.344   45.229   14.344   0.0000   0.0000   75.828   14.487  ?   ?       ?      ? 
1 1 1  -33   16   30 o   72.578   14.119   41.287   13.386   41.287   13.386   0.0000   0.0000   72.578   14.119  ?   ?       ?      ? 
1 1 1  -33   16   31 o   29.499   9.0790   0.1409   6.6368   2.4899   10.626  -1.3614   8.4981   32.346   13.784   26.652   11.821 5.694033 18.15797 
1 1 1  -33   16   32 o   54.943   10.310   23.882   7.7357   26.758   11.925   21.792   10.165   57.510   15.106   52.376   14.037 5.134071 20.62068 
1 1 1  -33   16   33 o   55.819   10.080   25.822   7.9319   16.989   12.086   32.505   10.513   46.478   15.927   65.159   12.358 -18.68113 20.15901 
1 1 1  -33   16   34 o   60.621   9.3694   31.558   8.3440   9.7782   12.755   47.853   11.032   39.966   15.837   81.276   10.017 -41.31009 18.73870 
1 1 1  -33   16   35 f   56.236   9.8020   26.421   8.0394   13.967   12.579   35.021   10.453   43.525   16.098   68.946   11.188 -25.42160 19.60407 
1 1 1  -33   16   36 f   55.859   10.067   22.880   7.9830   39.328   12.813   12.445   10.206   70.695   13.870   41.022   14.594 29.67247 20.13349 
1 1 1  -33   16   37 o   32.122   9.7497   2.3563   7.3339   2.0631   12.457   2.5118   9.0728   33.876   14.684   30.369   12.830 3.506586 19.49945 
1 1 1  -33   16   38 o   45.557   14.227   16.457   9.7449   0.0000   0.0000   16.457   9.7449  ?   ?    45.557   14.227      ?      ? 
1 1 1  -33   16   39 o   42.034   10.651   13.279   7.6553   12.629   11.909   13.737   9.9939   41.789   15.622   42.280   14.483 -0.4914131 21.30293 
1 1 1  -33   16   40 o   62.229   10.225   31.000   8.3521   32.670   13.079   29.849   10.853   62.988   15.442   61.470   13.406 1.518066 20.44964 
1 1 1  -33   16   41 o   38.955   9.8936   5.9787   7.4369   22.236   12.057  -4.0042   9.4483   51.744   15.769   26.166   11.953 25.57773 19.78724 
1 1 1  -33   16   42 o   66.355   9.5894   38.054   9.0377   12.595   13.322   59.761   12.301   42.229   16.346   90.480   10.033 -48.25174 19.17890 
1 1 1  -33   16   43 o   77.496   14.073   47.804   14.235   47.804   14.235   0.0000   0.0000   77.496   14.073  ?   ?       ?      ? 
1 1 1  -33   16   44 o   91.487   9.6539   68.959   10.608   37.483   15.179   99.002   14.830   66.094   16.886  116.880   9.3629 -50.78561 19.30774 
1 1 1  -33   16   45 o   90.495   9.0995   65.133   10.369   48.583   15.300   79.191   14.101   77.010   15.201  103.980   10.007 -26.97033 18.19897 
1 1 1  -33   16   46 o   83.082   9.7577   56.947   10.136   40.421   15.294   69.895   13.537   68.735   16.605   97.430   10.253 -28.69447 19.51532 
1 1 1  -33   16   47 o   42.944   10.998   14.509   8.2828   11.970   12.856   16.310   10.830   41.080   16.014   44.808   15.078 -3.727589 21.99513 
1 1 1  -33   16   48 o   40.733   9.8402   9.8842   8.0549  -5.8939   11.769   23.787   11.048   28.065   13.007   53.401   14.770 -25.33610 19.68032 
1 1 1  -33   16   49 o   53.090   11.427   24.296   8.9553   26.438   13.061   22.396   12.302   55.128   16.326   51.053   15.993 4.075260 22.85412 
1 1 1  -33   16   50 o   61.686   10.071   32.502   9.5553   11.116   13.739   52.536   13.298   40.453   16.299   82.920   11.834 -42.46726 20.14210 
1 1 1  -33   16   51 o   81.950   12.720   52.419   14.126   0.0000   0.0000   52.419   14.126  ?   ?    81.950   12.720      ?      ? 
1 1 1  -33   16   52 o   43.796   10.816   14.709   8.9005   2.7388   13.034   25.167   12.183   33.893   14.850   53.700   15.731 -19.80651 21.63289 
1 1 1  -33   16   53 o   43.673   10.484   13.941   8.6845  -0.0028   12.468   27.083   12.104   31.606   14.148   55.739   15.475 -24.13302 20.96761 
1 1 1  -33   16   54 o   53.174   11.681   25.729   9.3299   24.082   13.758   27.130   12.695   51.243   16.990   55.105   16.034 -3.861980 23.36111 
1 1 1  -33   16   55 o   41.688   11.325   13.371   8.9857   19.261   13.848   9.0879   11.809   46.335   16.931   37.041   15.045 9.294178 22.64979 
1 1 1  -33   16   56 o   49.928   17.372   23.594   14.405   23.594   14.405   0.0000   0.0000   49.928   17.372  ?   ?       ?      ? 
1 1 1  -33   16   57 o   25.085   12.068 -12.1001   12.061 -12.1001   12.061   0.0000   0.0000   25.085   12.068  ?   ?       ?      ? 
1 1 1  -33   16   58 o   49.911   12.064   24.008   9.8066   25.534   14.170   22.606   13.586   51.192   17.247   48.629   16.874 2.563705 24.12857 
1 1 1  -33   16   59 o   67.422   11.795   42.806   10.715   44.047   15.394   41.639   14.923   68.327   16.754   66.517   16.607 1.809937 23.58995 
1 1 1  -33   16   60 o   43.245   11.215   16.628   9.4137   6.1417   13.849   25.633   12.834   35.078   15.340   51.413   16.364 -16.33447 22.42950 
1 1 1  -33   16   61 o   37.536   10.893   10.638   9.1216   5.1110   13.308   15.536   12.527   33.856   14.915   41.215   15.879 -7.359066 21.78529 
1 1 1  -33   16   62 o   35.151   10.583   7.8435   9.0384   2.8868   13.218   12.197   12.387   32.253   14.493   38.049   15.425 -5.795757 21.16537 
1 1 1  -33   16   63 o   30.067   13.589   1.3294   11.817   0.0000   0.0000   1.3294   11.817  ?   ?    30.067   13.589      ?      ? 
1 1 1  -33   16   64 o   37.731   15.469   12.680   12.631   0.0000   0.0000   12.680   12.631  ?   ?    37.731   15.469      ?      ? 
1 1 1  -33   17   23 o   67.764   12.669   35.553   11.206   0.0000   0.0000   35.553   11.206  ?   ?    67.764   12.669      ?      ? 
1 1 1  -33   17   24 o   66.048   9.6021   34.493   8.2397   33.881   12.539   34.958   10.931   64.783   14.629   67.314   12.442 -2.530365 19.20426 
1 1 1  -33   17   25 o   68.189   9.3999   36.344   8.3138   37.351   12.618   35.571   11.052   68.501   14.064   67.876   12.475 0.6245575 18.79971 
1 1 1  -33   17   26 o   65.758   9.6615   33.886   8.2599   36.999   12.686   31.596   10.883   68.035   14.218   63.482   13.085 4.552864 19.32307 
1 1 1  -33   17   27 o   39.284   10.420   10.585   7.4219   12.586   11.512   9.1616   9.7093   41.482   15.389   37.086   14.054 4.396473 20.84041 
1 1 1  -33   17   28 o   49.588   15.751   20.284   11.896   20.284   11.896   0.0000   0.0000   49.588   15.751  ?   ?       ?      ? 
1 1 1  -33   17   29 o   43.992   10.489   15.231   7.6898   9.8077   11.498   19.621   10.344   38.822   15.141   49.162   14.521 -10.33974 20.97884 
1 1 1  -33   17   30 o   52.095   10.483   22.524   8.0493   15.654   11.793   28.517   11.014   44.560   15.705   59.629   13.889 -15.06862 20.96503 
1 1 1  -33   17   31 o   65.424   9.6810   36.172   8.6284   18.363   12.771   51.130   11.704   47.386   16.365   83.462   10.348 -36.07576 19.36191 
1 1 1  -33   17   32 o   66.330   9.7901   36.757   8.6865   22.358   12.914   48.655   11.739   51.470   16.418   81.190   10.670 -29.71967 19.58014 
1 1 1  -33   17   33 o   58.372   10.435   28.967   8.6377   18.468   12.857   37.603   11.661   47.407   16.417   69.336   12.885 -21.92955 20.87001 
1 1 1  -33   17   34 o   63.620   10.633   33.011   8.9389   35.885   13.780   30.923   11.745   65.530   15.720   61.710   14.321 3.820076 21.26509 
1 1 1  -33   17   35 f   83.753   9.0679   55.511   9.6704   46.179   14.705   62.623   12.837   75.231   14.951   92.275   10.266 -17.04331 18.13571 
1 1 1  -33   17   36 o   37.813   13.961   10.222   9.4530   0.0000   0.0000   10.222   9.4530  ?   ?    37.813   13.961      ?      ? 
1 1 1  -33   17   37 o   31.508   9.4263   3.1492   6.9913  -0.9042   11.260   5.6920   8.9186   30.277   13.507   32.738   13.152 -2.461531 18.85250 
1 1 1  -33   17   38 o   38.515   9.5499   9.4341   7.2761  -3.1437   11.031   19.119   9.6803   28.635   13.016   48.395   13.978 -19.75951 19.09989 
1 1 1  -33   17   39 o   42.594   10.549   13.416   7.6219   20.205   11.751   8.4863   10.014   48.950   15.666   36.237   14.131 12.71280 21.09786 
1 1 1  -33   17   40 o   73.660   9.9312   45.270   9.4378   33.196   14.200   54.825   12.632   61.709   16.612   85.612   10.888 -23.90268 19.86231 
1 1 1  -33   17   41 o   54.258   16.451   25.733   13.147   25.733   13.147   0.0000   0.0000   54.258   16.451  ?   ?       ?      ? 
1 1 1  -33   17   42 o   31.932   14.088   0.9926   11.916   0.9926   11.916   0.0000   0.0000   31.932   14.088  ?   ?       ?      ? 
1 1 1  -33   17   43 f   37.918   9.9945   8.6210   7.9019  -3.5295   11.887   18.240   10.577   29.227   13.372   46.608   14.857 -17.38100 19.98890 
1 1 1  -33   17   44 o   34.237   10.112   5.2645   8.0246   0.1368   12.255   9.1132   10.617   31.617   14.099   36.856   14.498 -5.239094 20.22319 
1 1 1  -33   17   45 o   39.325   10.818   11.345   8.2623   9.9545   12.841   12.327   10.794   38.723   15.702   39.928   14.883 -1.204624 21.63515 
1 1 1  -33   17   46 o   40.565   10.774   12.879   8.2078   8.6165   12.552   16.064   10.849   37.398   15.386   43.732   15.084 -6.334446 21.54709 
1 1 1  -33   17   47 o   44.773   11.209   17.340   8.7415   12.404   13.374   21.022   11.550   40.618   16.179   48.928   15.518 -8.309837 22.41779 
1 1 1  -33   17   48 o   60.075   10.937   32.650   9.5688   19.629   13.793   44.731   13.286   46.716   16.924   73.434   13.859 -26.71815 21.87408 
1 1 1  -33   17   49 o   46.120   15.901   18.928   12.054   0.0000   0.0000   18.928   12.054  ?   ?    46.120   15.901      ?      ? 
1 1 1  -33   17   50 o   38.355   15.113   11.111   11.554   0.0000   0.0000   11.111   11.554  ?   ?    38.355   15.113      ?      ? 
1 1 1  -33   17   51 o   30.105   9.5944  -2.6767   8.2546   6.9908   13.010  -9.1916   10.680   35.750   15.243   24.460   11.656 11.28957 19.18883 
1 1 1  -33   17   52 o   56.044   11.949   30.012   9.7782   31.954   14.722   28.478   13.080   57.107   17.430   54.981   16.351 2.125572 23.89872 
1 1 1  -33   17   53 o   43.923   11.568   17.795   9.1735   18.178   13.935   17.503   12.186   44.122   16.809   43.724   15.897 0.3987694 23.13538 
1 1 1  -33   17   54 o   37.299   10.790   10.474   8.7117   8.2344   13.145   12.228   11.633   36.049   15.345   38.550   15.173 -2.501842 21.57969 
1 1 1  -33   17   55 o   32.602   14.548   3.1320   13.074   3.1320   13.074   0.0000   0.0000   32.602   14.548  ?   ?       ?      ? 
1 1 1  -33   17   56 o   38.345   11.148   12.150   9.2750   13.030   13.810   11.426   12.518   39.095   16.118   37.594   15.405 1.501450 22.29600 
1 1 1  -33   17   57 o   26.861   8.8409  -9.2587   8.5111 -25.2924   12.275   5.5864   11.811   20.926   10.458   32.796   14.257 -11.87027 17.68177 
1 1 1  -33   17   58 o   31.158   9.9154   2.1087   8.9486  -2.9956   13.172   6.4835   12.195   28.953   13.533   33.364   14.495 -4.410368 19.83071 
1 1 1  -33   17   59 o   35.467   10.678   8.8566   9.3625   1.6505   13.594   15.358   12.913   31.212   14.288   39.723   15.873 -8.510183 21.35604 
1 1 1  -33   18   31 o   26.985   8.6707  -2.8505   6.7559  -0.9090   10.716  -4.1312   8.7035   29.331   13.124   24.640   11.335 4.691313 17.34133 
1 1 1  -33   18   32 o   36.174   9.7010   6.9576   7.4964  -4.4084   11.080   16.553   10.180   27.735   12.770   44.613   14.607 -16.87833 19.40195 
1 1 1  -33   18   33 o   39.097   10.065   10.268   7.7819  -0.2856   11.453   19.319   10.606   30.481   13.608   47.713   14.834 -17.23179 20.12988 
1 1 1  -33   18   34 o   51.387   14.946   22.640   11.033   0.0000   0.0000   22.640   11.033  ?   ?    51.387   14.946      ?      ? 
1 1 1  -33   18   35 f   49.500   10.294   20.846   8.3463   8.0943   12.193   32.087   11.449   36.814   15.158   62.187   13.931 -25.37374 20.58736 
1 1 1  -33   18   36 o   55.703   10.758   26.959   8.3319   26.557   12.450   27.284   11.213   54.776   15.861   56.630   14.538 -1.854130 21.51509 
1 1 1  -33   18   37 o   50.880   10.858   23.028   8.4838   15.876   12.563   29.023   11.503   43.445   16.084   58.316   14.592 -14.87144 21.71666 
1 1 1  -33   18   38 o   43.172   10.723   15.862   7.9840   11.312   12.294   19.179   10.499   39.205   15.544   47.139   14.775 -7.933479 21.44611 
1 1 1  -33   18   39 o   34.434   14.613   5.6764   11.856   5.6764   11.856   0.0000   0.0000   34.434   14.613  ?   ?       ?      ? 
1 1 1  -33   18   40 o   38.844   15.609   11.013   12.565   11.013   12.565   0.0000   0.0000   38.844   15.609  ?   ?       ?      ? 
1 1 1  -33   18   41 o   25.406   8.4585  -7.5583   7.6072 -13.1527   11.669  -3.4231   10.032   24.271   11.725   26.541   12.195 -2.269865 16.91708 
1 1 1  -33   18   42 o   38.731   10.591   9.3004   8.3774   20.574   12.779   0.8052   11.094   47.261   16.368   30.202   13.445 17.05933 21.18142 
1 1 1  -33   18   43 o   59.404   11.277   32.947   9.6824   23.093   13.912   42.204   13.484   49.109   17.074   69.699   14.736 -20.59003 22.55371 
1 1 1  -33   18   44 o   40.469   11.206   13.011   8.9432   18.440   13.609   8.8844   11.865   44.662   16.700   36.275   14.946 8.387615 22.41123 
1 1 1  -33   18   45 o   37.417   10.787   8.7530   8.6898   17.275   13.595   2.8665   11.299   43.424   16.588   31.411   13.793 12.01209 21.57349 
1 1 1  -33   18   46 o   27.058   8.9669  -5.9635   8.1240  -1.5959   12.566  -9.0997   10.648   29.878   13.699   24.237   11.574 5.640579 17.93385 
1 1 1  -33   18   47 o   55.290   10.649   31.006   9.8835   9.9463   15.731   44.740   12.704   38.162   16.522   72.419   13.440 -34.25641 21.29797 
1 1 1  -33   18   48 o   77.325   13.997   52.083   14.127   0.0000   0.0000   52.083   14.127  ?   ?    77.325   13.997      ?      ? 
1 1 1  -33   18   49 f   31.803   9.8271   2.4872   8.6389  -8.5360   13.378   10.371   11.314   27.242   12.999   36.364   14.742 -9.121769 19.65429 
1 1 1  -33   18   50 o   47.321   11.732   23.183   9.5588   18.303   14.388   27.039   12.789   42.789   16.863   51.854   16.316 -9.065037 23.46443 
1 1 1  -33   18   51 o   49.730   11.486   25.818   9.6612   15.678   14.352   34.221   13.065   40.460   16.527   58.999   15.956 -18.53882 22.97274 
1 1 1  -33   18   52 o   42.915   11.640   19.142   9.5744   16.772   14.494   20.977   12.753   40.896   16.646   44.934   16.274 -4.038467 23.27902 
1 1 1  -33   18   53 o   39.218   16.211   14.947   14.020   14.947   14.020   0.0000   0.0000   39.218   16.211  ?   ?       ?      ? 
1 1 1  -33   19   39 o   39.443   16.036   13.531   13.432   13.531   13.432   0.0000   0.0000   39.443   16.036  ?   ?       ?      ? 
1 1 1  -33   19   40 o  171.653   9.5541  195.548   21.491 -15.2789   25.312  740.046   40.678   33.618   16.467  309.688   9.6930 -276.0696 19.10827 
1 1 1  -33   19   41 o   28.744   9.2961  -0.7742   7.9200   1.6734   12.594  -2.3756   10.187   30.983   14.013   26.504   12.219 4.478491 18.59213 
1 1 1  -33   19   42 o   39.253   10.474   13.496   8.5700   1.7940   13.420   21.555   11.137   31.515   14.337   46.990   15.272 -15.47524 20.94740 
1 1 1  -33   19   43 o   28.522   9.2792  -1.2165   8.0269   2.2556   12.820  -3.4553   10.295   31.174   14.115   25.870   12.049 5.303747 18.55842 
1 1 1  -33   19   44 o   58.652   11.772   34.989   9.7264   41.367   14.974   30.335   12.792   62.868   17.116   54.437   16.166 8.430988 23.54354 
1 1 1  -32    0    1 o  130.494   6.6256  116.435   11.648   0.0000   0.0000  116.435   11.648  130.494   6.6256  130.494   6.6256 -0.000000 0.000000 
1 1 1  -32    0    2 o  291.257   6.8956  576.638   27.182   0.0000   0.0000  576.638   27.182  291.257   6.8956  291.257   6.8956 -0.000000 0.000000 
1 1 1  -32    0    3 o  130.827   6.5695  117.004   11.580   0.0000   0.0000  117.004   11.580  130.827   6.5695  130.827   6.5695 -0.000000 0.000000 
1 1 1  -32    0    4 o   69.942   9.0338   34.848   8.1691   0.0000   0.0000   34.848   8.1691   69.942   9.0338   69.942   9.0338 -0.000000 0.000000 
1 1 1  -32    0    6 o  103.425   7.3472   73.688   10.178   0.0000   0.0000   73.688   10.178  103.425   7.3472  103.425   7.3472 -0.000000 0.000000 
1 1 1  -32    0    7 o  351.105   7.5077  837.865   35.684   0.0000   0.0000  837.865   35.684  351.105   7.5077  351.105   7.5077 -0.000000 0.000000 
1 1 1  -32    0    8 o  476.919   8.9406  1546.53   57.737   0.0000   0.0000  1546.53   57.737  476.919   8.9406  476.919   8.9406 -0.000000 0.000000 
1 1 1  -32    0    9 o  146.393   6.6259  146.291   13.083   0.0000   0.0000  146.291   13.083  146.393   6.6259  146.393   6.6259 -0.000000 0.000000 
1 1 1  -32    0   10 o  187.130   6.5343  238.439   16.524   0.0000   0.0000  238.439   16.524  187.130   6.5343  187.130   6.5343 -0.000000 0.000000 
1 1 1  -32    0   11 o  295.679   7.0504  594.264   28.213   0.0000   0.0000  594.264   28.213  295.679   7.0504  295.679   7.0504 -0.000000 0.000000 
1 1 1  -32    0   12 o  455.235   8.7074  1408.91   53.672   0.0000   0.0000  1408.91   53.672  455.235   8.7074  455.235   8.7074 -0.000000 0.000000 
1 1 1  -32    0   13 o  349.935   7.6218  832.327   36.105   0.0000   0.0000  832.327   36.105  349.935   7.6218  349.935   7.6218 -0.000000 0.000000 
1 1 1  -32    0   14 o  109.325   7.0178   83.192   10.185   83.124   14.034   83.267   14.803  109.360   9.6421  109.291   10.200 -0.000000 0.000000 
1 1 1  -32    0   15 o  120.182   6.9286  101.324   10.872  122.449   15.351   80.063   15.400  133.471   8.5682  106.892   10.891 -0.000000 0.000000 
1 1 1  -32    0   17 o  122.687   6.8485  104.011   11.168   91.774   15.463  117.359   16.149  114.899   10.111  130.475   9.2400 -0.000000 0.000000 
1 1 1  -32    0   18 f  129.315   9.6427  115.489   16.682   0.0000   0.0000  115.489   16.682  129.315   9.6427  129.315   9.6427 -0.000000 0.000000 
1 1 1  -32    0   19 o  347.028   10.568  820.958   49.594   0.0000   0.0000  820.958   49.594  347.028   10.568  347.028   10.568 -0.000000 0.000000 
1 1 1  -32    0   20 o  462.987   12.435  1462.25   77.890   0.0000   0.0000  1462.25   77.890  462.987   12.435  462.987   12.435 -0.000000 0.000000 
1 1 1  -32    0   21 o  301.621   7.0886  620.138   28.897  606.031   40.508  634.755   41.234  298.112   10.053  305.129   9.9965 -0.000000 0.000000 
1 1 1  -32    0   22 o  191.973   6.5552  252.072   16.961  256.882   24.095  247.348   23.879  193.810   9.2219  190.136   9.3187 -0.000000 0.000000 
1 1 1  -32    0   23 o  147.202   6.7456  149.053   13.326  149.590   18.924  148.526   18.768  147.462   9.5623  146.941   9.5171 -0.000000 0.000000 
1 1 1  -32    0   24 o  496.673   9.2354  1679.95   61.994  1771.31   90.203  1598.16   85.345  509.463   13.085  483.884   13.037 -0.000000 0.000000 
1 1 1  -32    0   25 o  370.263   7.7737  934.683   38.924  918.842   54.706  950.925   55.394  367.072   11.020  373.454   10.967 -0.000000 0.000000 
1 1 1  -32    0   26 o  103.264   7.7322   74.745   10.511   79.477   15.267   70.481   14.492  106.498   10.836  100.031   11.033 -0.000000 0.000000 
1 1 1  -32    0   27 o  129.916   7.1339  117.383   12.299  104.350   17.559  129.934   17.232  122.485   10.770  137.347   9.3579 -0.000000 0.000000 
1 1 1  -32    0   28 o   82.613   13.395   49.962   13.813   49.962   13.813   0.0000   0.0000   82.613   13.395   82.613   13.395 -0.000000 0.000000 
1 1 1  -32    0   29 o  139.376   9.9952  134.055   18.655  134.055   18.655   0.0000   0.0000  139.376   9.9952  139.376   9.9952 -0.000000 0.000000 
1 1 1  -32    0   30 o  314.387   7.3116  673.618   31.060  649.262   43.236  699.591   44.649  308.495   10.369  320.279   10.311 -0.000000 0.000000 
1 1 1  -32    0   31 o  143.745   6.9980  141.989   13.462  151.765   19.677  133.388   18.457  148.450   9.8817  139.039   9.9117 -0.000000 0.000000 
1 1 1  -32    0   32 o  567.540   10.205  2201.49   78.363  2224.03  111.801  2179.73  109.868  570.381   14.485  564.698   14.378 -0.000000 0.000000 
1 1 1  -32    0   33 o  183.472   6.7989  230.887   16.778  219.558   23.818  242.043   23.637  178.904   9.8936  188.040   9.3283 -0.000000 0.000000 
1 1 1  -32    0   34 o  375.065   7.9565  958.434   40.326  997.701   58.445  922.755   55.711  382.394   11.301  367.735   11.203 -0.000000 0.000000 
1 1 1  -32    0   35 o  161.891   7.1181  180.820   15.423  169.363   22.212  191.488   21.432  156.743   10.567  167.038   9.5395 -0.000000 0.000000 
1 1 1  -32    0   36 o  563.560   10.192  2171.73   77.716  2189.33  110.859  2154.73  108.980  565.785   14.480  561.335   14.348 -0.000000 0.000000 
1 1 1  -32    0   37 o  520.302   9.6521  1849.95   67.938  1872.08   97.148  1828.76   95.045  523.330   13.720  517.274   13.580 -0.000000 0.000000 
1 1 1  -32    0   38 o  223.098   6.9195  340.465   20.816  336.893   29.847  343.848   29.047  221.913   9.9708  224.283   9.5970 -0.000000 0.000000 
1 1 1  -32    0   39 o  266.446   7.0984  483.431   25.507  511.970   37.360  458.514   34.910  273.807   10.100  259.084   9.9767 -0.000000 0.000000 
1 1 1  -32    0   40 o   46.987   13.828   20.049   9.1342   29.529   14.319   13.544   11.861   57.270   20.281   36.704   18.804 -0.000000 0.000000 
1 1 1  -32    0   41 o  153.175   7.2611  161.851   14.866  160.395   21.872  163.101   20.266  152.410   10.711  153.940   9.8062 -0.000000 0.000000 
1 1 1  -32    0   42 o  597.216   15.033  2442.75  121.490   0.0000   0.0000  2442.75  121.490  597.216   15.033  597.216   15.033 -0.000000 0.000000 
1 1 1  -32    0   43 o  370.669   11.182  938.148   56.053   0.0000   0.0000  938.148   56.053  370.669   11.182  370.669   11.182 -0.000000 0.000000 
1 1 1  -32    0   44 o  204.734   7.2522  285.272   19.871  304.644   30.250  270.567   26.355  210.754   10.654  198.714   9.8422 -0.000000 0.000000 
1 1 1  -32    0   45 o  142.804   8.0845  144.449   15.041  121.721   22.446  162.969   20.263  131.754   12.853  153.854   9.8103 -0.000000 0.000000 
1 1 1  -32    0   46 o  511.938   9.6257  1793.40   66.663  1754.32   93.853  1833.19   94.704  506.265   13.703  517.612   13.522 -0.000000 0.000000 
1 1 1  -32    0   47 o  249.033   7.1668  424.517   24.073  412.862   34.460  435.625   33.643  245.615   10.396  252.451   9.8683 -0.000000 0.000000 
1 1 1  -32    0   48 o  230.352   7.1345  363.312   22.144  361.396   32.111  365.048   30.577  229.705   10.364  230.999   9.8081 -0.000000 0.000000 
1 1 1  -32    0   49 o  192.374   10.730  254.397   27.773  254.397   27.773   0.0000   0.0000  192.374   10.730  192.374   10.730 -0.000000 0.000000 
1 1 1  -32    0   50 o  379.661   11.759  985.859   60.367  985.859   60.367   0.0000   0.0000  379.661   11.759  379.661   11.759 -0.000000 0.000000 
1 1 1  -32    0   51 o  159.680   7.5479  174.302   16.071  192.100   24.390  160.645   21.366  166.846   10.894  152.515   10.450 -0.000000 0.000000 
1 1 1  -32    0   52 o  194.618   7.3170  260.612   19.104  254.682   28.022  265.763   26.115  192.403   10.826  196.833   9.8466 -0.000000 0.000000 
1 1 1  -32    0   53 o  503.612   9.5974  1735.32   65.303  1809.24   95.427  1670.22   89.558  513.628   13.732  493.597   13.411 -0.000000 0.000000 
1 1 1  -32    0   54 o  420.320   8.6488  1209.74   49.136  1217.62   70.885  1202.46   68.173  421.565   12.433  419.076   12.027 -0.000000 0.000000 
1 1 1  -32    0   55 o  148.898   8.1020  158.070   15.629  126.233   23.172  184.641   21.169  133.992   13.045  163.804   9.6122 -0.000000 0.000000 
1 1 1  -32    0   56 o   88.037   11.406   55.923   11.985   71.732   19.417   46.192   15.233   98.738   15.701   77.336   16.550 -0.000000 0.000000 
1 1 1  -32    0   57 o  496.866   9.5723  1696.85   64.325  1674.05   91.685  1718.95   90.270  493.470   13.735  500.262   13.337 -0.000000 0.000000 
1 1 1  -32    0   58 o  150.872   8.1639  160.076   16.193  146.322   24.465  170.800   21.603  144.525   12.718  157.220   10.239 -0.000000 0.000000 
1 1 1  -32    0   59 o  227.216   7.4505  353.890   22.709  364.579   34.102  345.372   30.441  230.166   10.990  224.266   10.062 -0.000000 0.000000 
1 1 1  -32    0   60 o  139.702   10.565  135.632   19.739   0.0000   0.0000  135.632   19.739  139.702   10.565  139.702   10.565 -0.000000 0.000000 
1 1 1  -32    0   61 o  381.410   11.496  999.338   59.298   0.0000   0.0000  999.338   59.298  381.410   11.496  381.410   11.496 -0.000000 0.000000 
1 1 1  -32    0   62 o   95.834   10.999   68.515   12.590   66.169   20.292   69.983   16.054   92.986   18.060   98.682   12.560 -0.000000 0.000000 
1 1 1  -32    0   63 o  166.099   7.9690  190.791   17.472  197.214   27.375  186.376   22.696  168.133   12.161  164.065   10.302 -0.000000 0.000000 
1 1 1  -32    0   64 o  129.810   8.5912  116.354   14.545  131.744   23.346  106.591   18.595  136.532   12.882  123.088   11.371 -0.000000 0.000000 
1 1 1  -32    0   65 o  298.864   7.7134  615.613   31.065  616.037   45.581  615.245   42.452  298.778   11.294  298.949   10.508 -0.000000 0.000000 
1 1 1  -32    0   66 o  174.033   11.344  210.950   26.494  210.950   26.494   0.0000   0.0000  174.033   11.344  174.033   11.344 -0.000000 0.000000 
1 1 1  -32    0   67 o  139.564   12.320  137.553   22.883  137.553   22.883   0.0000   0.0000  139.564   12.320  139.564   12.320 -0.000000 0.000000 
1 1 1  -32    0   68 o  266.703   7.5395  493.919   27.025  450.546   38.742  535.025   37.716  254.886   11.266  278.520   10.022 -0.000000 0.000000 
1 1 1  -32    0   69 o  135.835   8.1339  130.906   14.477  125.221   22.229  135.092   19.077  132.660   12.628  139.009   10.255 -0.000000 0.000000 
1 1 1  -32    0   70 o   66.224   13.523   38.890   10.541   32.684   16.558   43.118   13.668   58.010   22.272   74.437   15.344 -0.000000 0.000000 
1 1 1  -32    0   71 f   69.100   13.294   41.137   10.634   36.770   16.773   44.071   13.750   62.856   21.816   75.344   15.199 -0.000000 0.000000 
1 1 1  -32    0   72 o   97.132   10.925   74.552   12.043   53.540   18.177   90.990   16.077   81.037   19.053  113.227   10.697 -0.000000 0.000000 
1 1 1  -32    0   73 o  191.889   7.4587  260.079   19.028  229.768   27.893  286.461   26.023  180.678   11.499  203.099   9.5025 -0.000000 0.000000 
1 1 1  -32    0   74 o  146.936   7.7541  152.629   15.101  151.622   22.864  153.408   20.112  146.072   11.724  147.801   10.151 -0.000000 0.000000 
1 1 1  -32    0   75 o  100.915   11.914   74.010   15.696   0.0000   0.0000   74.010   15.696  100.915   11.914  100.915   11.914 -0.000000 0.000000 
1 1 1  -32    0   76 o   93.102   12.483   63.942   14.954   0.0000   0.0000   63.942   14.954   93.102   12.483   93.102   12.483 -0.000000 0.000000 
1 1 1  -32    0   77 o   58.805   18.370   31.040   12.839   0.0000   0.0000   31.040   12.839   58.805   18.370   58.805   18.370 -0.000000 0.000000 
1 1 1  -32    0   78 o  324.761   10.859  741.542   47.668   0.0000   0.0000  741.542   47.668  324.761   10.859  324.761   10.859 -0.000000 0.000000 
1 1 1  -32    0   79 o   95.187   12.084   66.835   14.902   0.0000   0.0000   66.835   14.902   95.187   12.084   95.187   12.084 -0.000000 0.000000 
1 1 1  -32    1    1 o  153.133   6.3913  159.318   13.263  159.318   13.263   0.0000   0.0000  153.133   6.3913  ?   ?       ?      ? 
1 1 1  -32    1    2 o  196.558   6.3930  262.480   17.029  262.480   17.029   0.0000   0.0000  196.558   6.3930  ?   ?       ?      ? 
1 1 1  -32    1    3 o  309.046   6.1855  657.034   24.490  671.602   30.262  629.385   41.690  314.320   7.1048  303.771   10.127 10.54877 12.37104 
1 1 1  -32    1    4 o  675.847   10.063  3133.50   86.860  3130.54  106.388  3139.41  150.425  676.820   11.599  674.875   16.448 1.944397 20.12670 
1 1 1  -32    1    5 o  340.806   5.2312  789.231   24.152  810.633   34.673  769.058   33.663  345.289   7.4102  336.322   7.3860 8.967102 10.46249 
1 1 1  -32    1    6 o  342.632   5.2395  798.027   24.324  777.869   34.164  818.749   34.639  338.238   7.4536  347.026   7.3657 -8.788147 10.47901 
1 1 1  -32    1    7 o  176.716   4.5645  211.953   10.925  221.997   15.694  202.510   15.217  180.777   6.4062  172.654   6.5039 8.123108 9.129093 
1 1 1  -32    1    8 o  255.577   6.6365  443.786   22.985   0.0000   0.0000  443.786   22.985  ?   ?   255.577   6.6365      ?      ? 
1 1 1  -32    1    9 o  140.779   4.7098  134.912   8.9425  118.904   12.560  151.369   12.735  132.273   7.0072  149.285   6.2949 -17.01218 9.419505 
1 1 1  -32    1   10 o  237.649   4.6775  383.579   15.061  389.895   21.535  377.530   21.073  239.562   6.6334  235.736   6.5965 3.825821 9.354980 
1 1 1  -32    1   11 o  245.290   4.7195  408.775   15.687  408.377   22.280  409.166   22.091  245.168   6.7060  245.411   6.6427 -0.2429504 9.439056 
1 1 1  -32    1   12 o  240.697   5.2454  383.207   14.897  372.712   17.141  415.608   30.117  234.331   5.3978  247.064   8.9955 -12.73331 10.49071 
1 1 1  -32    1   13 o  490.910   7.8409  1637.59   49.060  1623.44   59.840  1666.63   85.684  488.289   9.0435  493.530   12.812 -5.240234 15.68186 
1 1 1  -32    1   14 o  833.001   12.010  4776.52  127.595  4764.20  156.042  4801.37  221.652  833.781   13.810  832.222   19.654 1.558899 24.02092 
1 1 1  -32    1   15 o  213.570   5.5355  307.492   15.101  302.255   18.418  318.231   26.376  210.946   6.4431  216.195   9.0029 -5.248398 11.07095 
1 1 1  -32    1   16 o  216.871   5.6437  324.980   15.640  335.970   19.337  304.192   26.596  222.403   6.4161  211.339   9.2865 11.06311 11.28737 
1 1 1  -32    1   17 o  217.094   4.5697  320.141   13.443  316.689   19.005  323.599   19.018  215.920   6.4953  218.268   6.4295 -2.348419 9.139384 
1 1 1  -32    1   18 o  836.462   9.7993  4793.76  111.058  4709.90  155.356  4881.41  158.822  829.002   13.829  843.921   13.888 -14.91864 19.59858 
1 1 1  -32    1   19 o  495.771   6.4757  1673.71   43.505  1683.78   61.750  1663.80   61.304  497.249   9.1639  494.293   9.1522 2.955688 12.95140 
1 1 1  -32    1   20 o  251.647   4.6956  429.972   16.007  446.483   22.922  414.255   22.363  256.364   6.5979  246.930   6.6830 9.434006 9.391234 
1 1 1  -32    1   21 o  255.917   4.7336  444.971   16.415  438.942   23.185  451.030   23.244  254.175   6.7313  257.659   6.6572 -3.483551 9.467227 
1 1 1  -32    1   22 o  245.769   5.7955  413.288   18.156  403.949   31.394  417.981   22.255  243.498   9.5140  248.041   6.6209 -4.543488 11.59107 
1 1 1  -32    1   23 o  150.923   5.6651  152.781   10.877  161.184   19.235  148.831   13.189  153.835   9.2270  148.012   6.5754 5.823685 11.33013 
1 1 1  -32    1   24 o  280.171   4.9055  533.424   18.619  515.099   26.208  552.097   26.455  275.302   7.0248  285.039   6.8490 -9.737183 9.811038 
1 1 1  -32    1   25 o  161.220   5.9314  185.157   11.993  153.347   20.365  202.046   14.839  149.972   10.021  172.467   6.3492 -22.49445 11.86278 
1 1 1  -32    1   26 o  363.938   6.6806  900.434   30.994  908.461   54.008  896.492   37.846  364.803   10.925  363.072   7.6920 1.730774 13.36117 
1 1 1  -32    1   27 o  365.067   5.5104  904.737   27.233  947.078   39.613  866.793   37.500  373.143   7.8340  356.991   7.7515 16.15158 11.02076 
1 1 1  -32    1   28 o  703.148   8.4776  3380.72   80.779  3397.51  114.625  3364.15  113.856  704.877   12.000  701.419   11.978 3.457642 16.95526 
1 1 1  -32    1   29 o  312.596   5.1295  663.798   21.720  687.493   31.229  641.596   30.229  317.996   7.2469  307.196   7.2616 10.80029 10.25902 
1 1 1  -32    1   30 o  200.949   4.7078  274.341   12.815  263.657   17.985  285.358   18.264  196.970   6.7381  204.929   6.5766 -7.959839 9.415565 
1 1 1  -32    1   31 o  156.786   6.0238  171.260   12.001  179.421   14.817  155.698   20.461  162.483   6.7293  151.089   9.9931 11.39467 12.04765 
1 1 1  -32    1   32 o  316.441   6.3828  685.003   25.796  690.724   31.660  673.703   44.495  318.708   7.3305  314.173   10.451 4.534790 12.76570 
1 1 1  -32    1   33 o  174.519   4.7815  206.849   11.302  216.629   16.215  197.609   15.762  178.533   6.7020  170.506   6.8215 8.027008 9.562904 
1 1 1  -32    1   34 o  374.880   5.5883  956.332   28.389  956.822   40.288  955.848   40.009  374.970   7.9287  374.790   7.8775 0.1804199 11.17668 
1 1 1  -32    1   35 o  568.804   7.2258  2208.26   55.697  2209.69   78.935  2206.85   78.600  568.979   10.237  568.628   10.200 0.3513794 14.45168 
1 1 1  -32    1   36 o  644.555   7.9569  2840.00   69.495  2871.70   99.056  2809.28   97.523  648.083   11.279  641.027   11.227 7.055420 15.91380 
1 1 1  -32    1   37 o  225.604   4.8641  346.082   14.869  342.898   21.120  349.210   20.936  224.568   6.9402  226.639   6.8169 -2.071152 9.728113 
1 1 1  -32    1   38 o  237.022   4.8877  382.054   15.697  376.703   22.281  387.326   22.117  235.365   6.9857  238.679   6.8379 -3.313522 9.775340 
1 1 1  -32    1   39 o  242.143   4.9140  398.637   16.118  383.460   22.624  414.281   22.969  237.454   7.0309  246.833   6.8669 -9.379349 9.827941 
1 1 1  -32    1   40 o  223.540   5.8882  344.833   17.030  356.216   21.340  324.868   28.261  228.874   6.8803  218.206   9.5574 10.66829 11.77634 
1 1 1  -32    1   41 o  370.425   6.8221  939.667   32.517  946.854   40.216  926.098   55.261  372.904   7.9584  367.947   11.083 4.956970 13.64420 
1 1 1  -32    1   42 o  197.070   4.9255  264.179   13.153  261.204   18.640  267.129   18.562  195.960   7.0195  198.181   6.9116 -2.221619 9.851063 
1 1 1  -32    1   43 o  208.393   5.0397  295.569   14.225  291.257   20.342  299.696   19.901  206.890   7.2556  209.897   6.9965 -3.007217 10.07939 
1 1 1  -32    1   44 o  356.801   6.7958  866.646   31.001  876.765   53.731  861.596   37.955  357.915   11.078  355.687   7.8745 2.227325 13.59151 
1 1 1  -32    1   45 o  324.464   5.4077  716.826   23.776  717.358   33.801  716.305   33.450  324.576   7.6848  324.353   7.6102 0.2228394 10.81535 
1 1 1  -32    1   46 o  340.218   5.4797  788.320   25.263  787.515   35.808  789.117   35.647  340.040   7.7709  340.396   7.7279 -0.3553162 10.95936 
1 1 1  -32    1   47 o  369.279   5.6679  928.880   28.358  946.750   40.568  911.804   39.657  372.747   8.0313  365.811   7.9999 6.936005 11.33579 
1 1 1  -32    1   48 o  114.896   7.8884   98.389   10.788   72.514   19.251  110.234   13.025  102.569   13.850  127.224   7.5551 -24.65492 15.77684 
1 1 1  -32    1   49 o  289.269   5.2376  569.327   20.521  585.884   29.616  554.036   28.460  293.302   7.4512  285.236   7.3629 8.066040 10.47529 
1 1 1  -32    1   50 o  285.664   6.4962  562.269   23.597  571.932   28.911  542.984   40.843  289.783   7.3622  281.545   10.705 8.237183 12.99230 
1 1 1  -32    1   51 o  179.967   6.4211  211.223   14.484  196.379   17.183  247.661   26.921  169.775   7.4685  190.159   10.447 -20.38350 12.84223 
1 1 1  -32    1   52 o  198.340   5.1146  267.964   13.746  271.448   19.529  264.543   19.353  199.620   7.2191  197.061   7.2471 2.559601 10.22915 
1 1 1  -32    1   53 o  311.320   5.3792  660.783   22.693  665.974   32.116  655.605   32.071  312.547   7.5827  310.092   7.6320 2.455139 10.75846 
1 1 1  -32    1   54 o  207.124   5.1081  292.347   14.337  288.636   20.147  296.153   20.406  205.792   7.2242  208.455   7.2236 -2.662659 10.21616 
1 1 1  -32    1   55 o  415.888   6.0819  1181.70   34.269  1207.56   49.057  1157.06   47.893  420.324   8.6126  411.451   8.5895 8.873077 12.16371 
1 1 1  -32    1   56 o  131.747   5.6822  118.487   10.129  127.639   14.515  109.798   14.142  136.729   7.8339  126.764   8.2327 9.965446 11.36430 
1 1 1  -32    1   57 o  296.901   5.3302  601.721   21.445  593.104   30.202  610.481   30.454  294.751   7.5613  299.052   7.5148 -4.300476 10.66047 
1 1 1  -32    1   58 f  195.748   5.2136  261.738   13.809  243.793   19.432  280.044   19.626  188.922   7.5902  202.574   7.1495 -13.65120 10.42720 
1 1 1  -32    1   59 o  218.267   6.0815  322.528   17.291  312.833   21.511  340.234   29.070  213.992   7.4177  222.542   9.6393 -8.549561 12.16303 
1 1 1  -32    1   60 o  331.851   6.6487  746.835   28.399  725.857   34.844  788.343   49.012  325.683   7.8949  338.019   10.700 -12.33585 13.29731 
1 1 1  -32    1   61 o  149.672   6.4122  153.092   12.515  156.978   20.848  150.903   15.648  150.875   10.197  148.470   7.7776 2.405090 12.82444 
1 1 1  -32    1   62 o  299.643   6.4783  614.940   24.984  626.612   42.762  608.892   30.785  301.093   10.480  298.194   7.6182 2.898682 12.95658 
1 1 1  -32    1   63 f  234.593   5.2015  376.802   16.535  383.583   23.528  370.186   23.242  236.685   7.3355  232.502   7.3766 4.183609 10.40309 
1 1 1  -32    1   64 o  159.832   5.4166  175.309   11.723  167.014   16.556  183.649   16.601  155.995   7.8317  163.670   7.4848 -7.674789 10.83315 
1 1 1  -32    1   65 o  197.847   6.6321  272.625   16.294  265.040   29.456  275.970   19.559  195.052   11.144  200.642   7.1937 -5.589691 13.26411 
1 1 1  -32    1   66 o   43.699   10.764   12.646   8.4858  -4.1074   16.409   18.762   9.9145   36.784   16.365   50.615   13.989 -13.83056 21.52869 
1 1 1  -32    1   67 o  134.896   6.9844  121.318   11.835  113.384   14.087  140.355   21.821  128.256   8.1052  141.535   11.377 -13.27907 13.96875 
1 1 1  -32    1   68 o  170.234   5.2862  199.406   12.192  205.540   17.405  193.496   17.083  172.819   7.4318  167.649   7.5196 5.170502 10.57240 
1 1 1  -32    1   69 o   58.836   9.0432   25.142   7.2193   33.836   10.433   17.153   10.000   69.369   11.098   48.303   14.281 21.06573 18.08643 
1 1 1  -32    1   70 o  126.262   5.6339  110.319   9.6348  109.146   13.802  111.435   13.456  125.559   8.1118  126.965   7.8207 -1.405540 11.26780 
1 1 1  -32    1   71 o   74.537   8.0331   41.067   7.5758   28.475   10.854   53.029   10.579   61.845   13.343   87.228   8.9494 -25.38216 16.06616 
1 1 1  -32    1   72 o   81.051   6.9928   46.189   7.6732   48.803   10.921   43.641   10.783   83.382   9.6653   78.720   10.108 4.661255 13.98551 
1 1 1  -32    1   73 o  185.039   5.1261  236.831   12.847  227.170   17.877  247.151   18.476  181.121   7.2834  188.956   7.2153 -7.835190 10.25227 
1 1 1  -32    1   74 o   82.534   7.7655   47.196   8.4908   42.160   10.728   55.638   13.891   77.084   10.270   87.985   11.650 -10.90091 15.53094 
1 1 1  -32    1   75 o  160.269   9.8216  182.126   21.331   0.0000   0.0000  182.126   21.331  ?   ?   160.269   9.8216      ?      ? 
1 1 1  -32    1   76 o  143.351   10.129  146.635   19.677   0.0000   0.0000  146.635   19.677  ?   ?   143.351   10.129      ?      ? 
1 1 1  -32    1   77 o  119.403   7.4823  102.630   12.096   97.716   17.082  107.572   17.131  116.368   10.832  122.438   10.325 -6.069901 14.96470 
1 1 1  -32    1   78 f  108.687   7.6984   85.639   11.330   81.573   15.963   89.766   16.083  105.934   11.120  111.440   10.650 -5.506050 15.39689 
1 1 1  -32    1   79 o   81.820   8.6827   49.574   9.6224   51.676   13.825   47.600   13.401   83.539   12.213   80.101   12.346 3.437561 17.36549 
1 1 1  -32    2    1 o  256.581   4.6721  447.464   16.230  423.111   22.835  472.330   23.074  249.507   6.7535  263.655   6.4580 -14.14752 9.344273 
1 1 1  -32    2    2 o  224.956   4.6081  343.589   14.029  348.754   20.443  338.991   19.287  226.538   6.6591  223.373   6.3715 3.165695 9.216280 
1 1 1  -32    2    3 o  327.126   6.2125  715.407   25.727  766.048   46.080  692.473   31.011  335.106   10.147  319.147   7.1703 15.95947 12.42498 
1 1 1  -32    2    4 o  126.600   5.8184  112.580   9.2980   98.963   15.896  119.662   11.464  120.482   9.7360  132.717   6.3740 -12.23483 11.63687 
1 1 1  -32    2    5 o  486.402   7.8192  1605.09   48.341  1646.33   85.041  1585.40   58.758  490.342   12.798  482.463   8.9872 7.879272 15.63844 
1 1 1  -32    2    6 o  162.262   9.1072  179.342   20.026  179.342   20.026   0.0000   0.0000  162.262   9.1072  ?   ?       ?      ? 
1 1 1  -32    2    7 o  210.762   6.6166  301.413   18.761  355.489   27.453  254.033   25.697  228.485   8.8666  193.039   9.8234 35.44614 13.23315 
1 1 1  -32    2    8 o  272.972   6.8842  506.939   25.426  548.478   36.765  468.855   35.202  283.699   9.5629  262.245   9.9056 21.45410 13.76847 
1 1 1  -32    2    9 o  363.531   6.7386  913.054   31.490  942.229   39.160  859.665   52.974  372.208   7.7638  354.853   11.016 17.35498 13.47713 
1 1 1  -32    2   10 o  385.907   6.9225  994.232   33.688  959.980   40.448  1071.80   60.868  375.669   7.9453  396.145   11.338 -20.47549 13.84510 
1 1 1  -32    2   11 o  393.807   6.4343  1049.32   29.820  1042.40   34.437  1070.06   59.624  391.721   6.4873  395.894   11.114 -4.172241 12.86858 
1 1 1  -32    2   12 o  202.680   5.2789  287.601   12.698  297.202   14.883  261.913   24.345  209.258   5.2484  196.103   9.1609 13.15486 10.55780 
1 1 1  -32    2   13 o  354.220   6.1347  863.033   25.794  872.929   30.057  835.383   50.244  358.512   6.1868  349.927   10.595 8.585632 12.26948 
1 1 1  -32    2   14 o  305.921   5.6981  630.352   20.625  623.843   23.861  649.588   41.019  303.119   5.8088  308.724   9.8046 -5.604340 11.39620 
1 1 1  -32    2   15 o  225.231   5.1978  337.098   13.940  328.941   16.130  361.176   27.712  220.138   5.4069  230.324   8.8787 -10.18633 10.39551 
1 1 1  -32    2   16 o  415.958   6.5909  1128.82   31.782  1085.44   36.172  1275.73   66.565  399.703   6.6781  432.214   11.365 -32.51083 13.18176 
1 1 1  -32    2   17 o  222.159   4.5545  335.276   13.710  328.660   19.368  341.921   19.409  219.957   6.4979  224.361   6.3837 -4.403595 9.109025 
1 1 1  -32    2   18 o  297.658   4.9348  602.106   19.904  593.906   28.085  610.382   28.213  295.618   7.0107  299.698   6.9468 -4.080688 9.869575 
1 1 1  -32    2   19 o  361.388   5.3661  887.571   26.272  910.336   37.670  866.010   36.660  365.896   7.5972  356.879   7.5804 9.016479 10.73218 
1 1 1  -32    2   20 o  198.167   4.5695  266.886   12.265  261.177   17.487  272.414   17.208  196.071   6.5815  200.264   6.3409 -4.192749 9.139078 
1 1 1  -32    2   21 o  413.251   7.1008  1168.73   37.544  1150.81   64.543  1177.90   46.156  410.418   11.605  416.083   8.1859 -5.665222 14.20152 
1 1 1  -32    2   22 o  382.885   6.8337  1009.37   33.543  966.632   57.015  1032.00   41.481  376.249   11.182  389.522   7.8584 -13.27347 13.66735 
1 1 1  -32    2   23 o  382.264   6.8044  997.147   33.196  991.871   57.508  999.783   40.653  381.133   11.134  383.396   7.8246 -2.263428 13.60886 
1 1 1  -32    2   24 o  286.728   4.9186  558.654   19.109  564.015   27.288  553.496   26.768  288.073   6.9901  285.383   6.9215 2.690399 9.837114 
1 1 1  -32    2   25 o  232.529   5.7372  364.539   16.924  377.386   29.961  358.520   20.510  235.345   9.3942  229.712   6.5885 5.633301 11.47435 
1 1 1  -32    2   26 o  167.731   5.6808  188.436   12.041  199.620   21.589  183.387   14.507  171.170   9.3075  164.293   6.5158 6.876572 11.36158 
1 1 1  -32    2   27 o  510.876   6.6545  1778.16   46.064  1802.19   65.772  1755.02   64.534  514.256   9.4380  507.497   9.3837 6.758362 13.30899 
1 1 1  -32    2   28 o  141.211   4.8453  135.678   9.2612  130.848   13.257  140.282   12.943  138.741   7.0510  143.681   6.6477 -4.939865 9.690582 
1 1 1  -32    2   29 o  350.858   5.3687  837.248   25.525  838.954   36.287  835.577   35.911  351.206   7.6245  350.510   7.5604 0.6962585 10.73742 
1 1 1  -32    2   30 o  228.540   4.7516  354.963   14.713  355.064   21.013  354.865   20.608  228.566   6.7840  228.515   6.6550 0.5064392E-01 9.503228 
1 1 1  -32    2   31 o  253.854   4.8422  437.997   16.654  439.158   23.817  436.887   23.296  254.176   6.9146  253.533   6.7805 0.6422424 9.684345 
1 1 1  -32    2   32 o  231.383   5.9902  369.894   17.699  381.309   21.851  348.116   30.181  236.850   6.8078  225.915   9.8583 10.93524 11.98047 
1 1 1  -32    2   33 f  297.737   10.255  605.029   41.375   0.0000   0.0000  605.029   41.375  ?   ?   297.737   10.255      ?      ? 
1 1 1  -32    2   34 o  323.864   5.2531  713.402   23.052  699.009   32.467  728.033   32.736  320.562   7.4740  327.165   7.3838 -6.602875 10.50622 
1 1 1  -32    2   35 o  339.875   5.3492  785.902   24.635  785.339   35.043  786.453   34.640  339.746   7.6114  340.004   7.5181 -0.2580566 10.69841 
1 1 1  -32    2   36 o  390.551   5.7106  1038.39   30.222  1038.57   42.930  1038.22   42.554  390.576   8.1109  390.526   8.0410 0.4968262E-01 11.42125 
1 1 1  -32    2   37 o  357.272   5.4711  868.701   26.488  867.699   37.585  869.690   37.336  357.061   7.7675  357.483   7.7070 -0.4217224 10.94223 
1 1 1  -32    2   38 o  366.581   6.7225  910.412   31.646  897.255   38.838  936.402   54.586  363.051   7.8943  370.111   10.883 -7.060089 13.44499 
1 1 1  -32    2   39 o  142.650   5.9805  138.243   11.218  137.036   14.211  140.239   18.275  141.918   7.3895  143.382   9.4053 -1.464340 11.96095 
1 1 1  -32    2   40 o  235.642   4.9030  377.597   15.652  379.438   22.422  375.847   21.861  236.193   7.0051  235.091   6.8619 1.102081 9.805946 
1 1 1  -32    2   41 o  268.461   5.0305  490.368   18.296  486.532   26.122  494.061   25.634  267.417   7.2085  269.506   7.0188 -2.089783 10.06107 
1 1 1  -32    2   42 o  248.653   5.0548  420.797   17.025  406.713   24.099  434.827   24.054  244.480   7.2740  252.826   7.0208 -8.345413 10.10951 
1 1 1  -32    2   43 f  294.660   5.2639  590.727   21.014  603.793   30.093  578.291   29.359  297.837   7.4558  291.483   7.4326 6.353577 10.52771 
1 1 1  -32    2   44 o  199.678   5.0657  271.516   13.696  261.311   19.475  281.504   19.267  195.942   7.3343  203.414   6.9894 -7.471863 10.13133 
1 1 1  -32    2   45 o  253.927   6.1007  433.865   19.760  456.774   34.740  422.910   24.024  258.560   9.9149  249.294   7.1113 9.265244 12.20148 
1 1 1  -32    2   46 o  388.039   7.1653  1014.83   35.000  1068.75   63.093  990.854   42.066  394.769   11.794  381.308   8.1409 13.46051 14.33067 
1 1 1  -32    2   47 o  160.718   6.3599  172.929   12.909  185.516   23.231  167.306   15.527  164.673   10.410  156.764   7.3089 7.908905 12.71975 
1 1 1  -32    2   48 o  370.748   5.6920  936.760   28.595  945.745   40.773  928.063   40.114  372.489   8.0774  369.006   8.0219 3.483643 11.38400 
1 1 1  -32    2   49 o  524.067   6.9221  1877.79   49.160  1873.05   69.532  1882.53   69.512  523.399   9.8033  524.735   9.7755 -1.336060 13.84428 
1 1 1  -32    2   50 o  425.098   6.1032  1233.34   35.158  1230.18   49.685  1236.51   49.758  424.551   8.6361  425.646   8.6264 -1.094330 12.20642 
1 1 1  -32    2   51 o  128.936   7.4501  118.623   11.814  126.247   14.289  102.146   21.005  136.087   7.7480  121.786   12.727 14.30128 14.90029 
1 1 1  -32    2   52 o  200.535   6.4523  269.414   16.204  260.967   19.359  289.183   29.615  195.703   7.2998  205.367   10.641 -9.663223 12.90452 
1 1 1  -32    2   53 o  298.575   5.3251  607.751   21.545  613.013   30.671  602.625   30.271  299.846   7.5481  297.304   7.5136 2.542847 10.65030 
1 1 1  -32    2   54 o  273.705   5.2174  510.753   19.348  496.277   27.234  525.506   27.491  269.773   7.4495  277.637   7.3070 -7.864227 10.43487 
1 1 1  -32    2   55 o  160.186   5.2707  175.031   11.441  175.518   16.244  174.551   16.117  160.404   7.4729  159.967   7.4348 0.4370728 10.54135 
1 1 1  -32    2   56 o  292.123   5.3093  582.397   21.017  581.914   29.818  582.875   29.628  291.995   7.5357  292.251   7.4812 -0.2562866 10.61862 
1 1 1  -32    2   57 o  332.089   5.5164  753.395   24.822  738.205   34.961  768.838   35.249  328.697   7.8488  335.481   7.7536 -6.784210 11.03276 
1 1 1  -32    2   58 o  238.490   6.0776  390.416   18.878  392.841   23.685  386.191   31.262  239.863   7.2865  237.115   9.7291 2.747971 12.15520 
1 1 1  -32    2   59 o  182.936   6.0931  231.314   14.566  237.143   18.450  221.673   23.729  186.312   7.3077  179.559   9.7520 6.752853 12.18618 
1 1 1  -32    2   60 o  292.971   5.3141  587.019   21.097  582.717   29.879  591.297   29.792  291.887   7.5539  294.056   7.4763 -2.169006 10.62816 
1 1 1  -32    2   61 o  329.629   5.5585  744.300   24.825  727.303   35.061  761.390   35.156  325.819   7.9408  333.440   7.7803 -7.621307 11.11703 
1 1 1  -32    2   62 o  142.575   6.5790  140.429   12.153  138.438   20.334  141.535   15.159  141.442   10.609  143.708   7.7839 -2.266052 13.15799 
1 1 1  -32    2   63 o  124.034   5.9878  105.681   10.061  109.661   14.436  101.923   14.029  126.310   8.4337  121.758   8.5023 4.552162 11.97566 
1 1 1  -32    2   64 o  259.688   6.7995  477.624   22.069  434.872   38.728  498.182   26.856  249.804   11.441  269.572   7.3517 -19.76880 13.59897 
1 1 1  -32    2   65 o  208.377   6.6565  303.408   17.224  292.290   31.059  308.345   20.698  204.714   11.196  212.041   7.2033 -7.326706 13.31293 
1 1 1  -32    2   66 o  119.995   5.8071   99.263   9.4269   98.459   13.703   99.985   12.989  119.471   8.4640  120.519   7.9530 -1.047691 11.61413 
1 1 1  -32    2   67 o  185.596   6.5421  228.012   15.319  210.808   18.267  268.784   28.121  174.982   7.7035  196.211   10.576 -21.22897 13.08426 
1 1 1  -32    2   68 o  123.728   7.4486  104.575   11.539  100.632   13.780  113.830   21.111  120.618   8.4305  126.838   12.282 -6.220848 14.89721 
1 1 1  -32    2   69 o  139.786   6.3974  131.066   11.776  117.056   14.709  156.069   19.651  130.012   8.3487  149.560   9.6957 -19.54829 12.79477 
1 1 1  -32    2   70 o   88.368   9.6264   55.801   11.385   59.158   17.726   53.445   14.853   90.261   14.492   86.474   12.674 3.786278 19.25279 
1 1 1  -32    2   71 o   32.860   9.2640   3.2117   6.4787   9.1633   9.5029  -1.9569   8.8558   38.335   14.023   27.384   12.110 10.95040 18.52794 
1 1 1  -32    2   72 o  138.977   5.4303  134.002   10.218  127.856   14.456  140.141   14.446  135.715   7.8601  142.240   7.4948 -6.524719 10.86062 
1 1 1  -32    2   73 o  226.938   5.1483  356.826   15.831  359.106   22.562  354.615   22.220  227.630   7.3141  226.247   7.2474 1.382065 10.29663 
1 1 1  -32    2   74 o   48.202   9.7331   17.730   7.3123   25.969   9.8355   7.5481   10.934   58.787   12.716   37.617   14.739 21.17026 19.46618 
1 1 1  -32    2   75 o   45.220   10.438   14.527   7.2622   11.390   9.2958   19.440   11.634   40.255   13.958   50.184   15.524 -9.928894 20.87699 
1 1 1  -32    2   76 o   57.926   10.912   26.438   8.7177   28.337   12.655   24.723   12.026   59.870   15.483   55.982   15.380 3.887798 21.82328 
1 1 1  -32    2   77 o   88.149   8.3699   56.875   9.9875   54.946   14.264   58.731   13.989   86.497   12.169   89.801   11.495 -3.303864 16.73985 
1 1 1  -32    2   78 o  135.776   7.1287  132.473   13.113  135.336   18.818  129.771   18.282  137.169   10.124  134.384   10.039 2.784622 14.25737 
1 1 1  -32    2   79 o   72.950   13.403   41.012   12.761   0.0000   0.0000   41.012   12.761  ?   ?    72.950   13.403      ?      ? 
1 1 1  -32    2   80 o   71.577   13.973   40.112   13.067   0.0000   0.0000   40.112   13.067  ?   ?    71.577   13.973      ?      ? 
1 1 1  -32    3    1 o  417.339   7.0576  1191.40   38.002  1198.52   47.119  1178.14   64.276  419.576   8.2871  415.102   11.427 4.473389 14.11527 
1 1 1  -32    3    2 o  328.508   6.1925  730.651   26.279  720.634   32.468  749.676   44.746  325.517   7.3604  331.500   9.9607 -5.983215 12.38509 
1 1 1  -32    3    3 o  289.518   5.9054  571.671   22.182  574.252   27.670  567.030   37.105  290.634   7.0256  288.403   9.4941 2.231598 11.81089 
1 1 1  -32    3    4 o  397.899   5.6584  1077.38   30.505  1049.84   43.008  1105.26   43.275  392.766   8.0803  403.033   7.9234 -10.26691 11.31688 
1 1 1  -32    3    5 o  227.745   6.3384  352.379   19.562   0.0000   0.0000  352.379   19.562  ?   ?   227.745   6.3384      ?      ? 
1 1 1  -32    3    6 o  201.930   4.5563  277.746   12.424  251.386   17.598  303.936   17.541  192.327   6.7522  211.533   6.1193 -19.20555 9.112513 
1 1 1  -32    3    7 o  123.295   4.8755  104.053   8.0879   92.897   11.690  114.298   11.202  116.883   7.3801  129.708   6.3730 -12.82462 9.751007 
1 1 1  -32    3    8 f  191.269   4.5669  248.158   11.821  255.706   17.267  241.499   16.217  193.993   6.5682  188.544   6.3472 5.448822 9.133885 
1 1 1  -32    3    9 o  335.378   5.8211  736.459   22.879  709.446   26.182  823.701   47.052  323.209   5.9778  347.547   9.9904 -24.33853 11.64230 
1 1 1  -32    3   10 o  145.635   5.7856  149.778   10.887  167.036   13.986  123.243   17.342  156.793   6.5825  134.476   9.5164 22.31638 11.57116 
1 1 1  -32    3   11 f  155.519   6.7671  164.357   14.262  164.357   14.262   0.0000   0.0000  155.519   6.7671  ?   ?       ?      ? 
1 1 1  -32    3   12 o  190.554   5.2643  246.465   13.594  246.465   13.594   0.0000   0.0000  190.554   5.2643  ?   ?       ?      ? 
1 1 1  -32    3   13 o  148.927   5.3785  150.556   10.855  150.556   10.855   0.0000   0.0000  148.927   5.3785  ?   ?       ?      ? 
1 1 1  -32    3   14 o  113.744   6.9973   87.934   10.786   87.934   10.786   0.0000   0.0000  113.744   6.9973  ?   ?       ?      ? 
1 1 1  -32    3   15 o  376.209   6.6664  954.867   32.164  935.539   39.365  993.684   55.788  370.864   7.8327  381.555   10.789 -10.69073 13.33286 
1 1 1  -32    3   16 o  173.763   5.4541  202.110   12.335  194.204   15.295  216.820   20.863  169.061   6.6761  178.466   8.6267 -9.404984 10.90827 
1 1 1  -32    3   17 f  375.007   6.6734  950.184   32.124  933.570   39.378  983.237   55.542  370.472   7.8436  379.541   10.799 -9.069794 13.34681 
1 1 1  -32    3   18 o  107.133   5.6688   77.615   7.4406   76.992   8.7923   79.185   13.966  106.473   6.0937  107.794   9.5606 -1.321243 11.33750 
1 1 1  -32    3   19 o  150.656   4.5273  153.992   9.2366  159.806   13.364  148.674   12.781  153.374   6.4297  147.939   6.3753 5.435410 9.054555 
1 1 1  -32    3   20 o  199.104   4.5311  269.314   12.223  268.873   17.471  269.737   17.106  198.938   6.4805  199.269   6.3346 -0.3308411 9.062267 
1 1 1  -32    3   21 o  166.831   4.5479  189.074   10.279  189.465   14.716  188.702   14.363  166.995   6.5030  166.668   6.3594 0.3271027 9.095710 
1 1 1  -32    3   22 o  146.033   4.6125  144.408   9.1116  156.346   13.307  133.870   12.502  151.699   6.4731  140.367   6.5726 11.33224 9.224946 
1 1 1  -32    3   23 o  331.656   5.1823  747.830   23.288  750.746   33.252  745.023   32.626  332.282   7.3846  331.031   7.2729 1.251587 10.36468 
1 1 1  -32    3   24 o  205.247   4.6072  286.415   12.806  278.235   18.267  294.319   17.957  202.350   6.6615  208.143   6.3662 -5.792633 9.214367 
1 1 1  -32    3   25 o  121.400   4.9226   99.935   8.0886  106.063   11.774   94.458   11.131  124.916   6.9553  117.884   6.9680 7.032288 9.845261 
1 1 1  -32    3   26 o  205.309   4.6421  286.661   12.904  276.000   18.378  297.029   18.124  201.525   6.7294  209.092   6.3963 -7.566483 9.284287 
1 1 1  -32    3   27 o  251.125   5.9135  425.166   18.754  440.663   33.496  418.090   22.633  254.221   9.7229  248.029   6.7339 6.192200 11.82710 
1 1 1  -32    3   28 o  404.272   7.1425  1125.11   36.788  1084.74   63.419  1145.58   45.164  398.270   11.751  410.274   8.1233 -12.00360 14.28506 
1 1 1  -32    3   29 o  298.691   5.0414  606.391   20.399  614.135   29.289  599.095   28.429  300.533   7.1916  296.848   7.0671 3.684998 10.08281 
1 1 1  -32    3   30 o  338.839   5.2976  780.628   24.319  793.933   34.880  768.043   33.923  341.640   7.5340  336.038   7.4495 5.601929 10.59511 
1 1 1  -32    3   31 o  434.943   6.0268  1287.52   35.511  1317.83   51.034  1259.07   49.443  439.892   8.5611  429.994   8.4851 9.898132 12.05364 
1 1 1  -32    3   32 o  327.934   5.2394  731.545   23.281  719.131   32.938  743.938   32.910  325.142   7.4756  330.725   7.3431 -5.583466 10.47882 
1 1 1  -32    3   33 o  320.001   5.2030  696.407   22.556  673.727   31.691  719.695   32.112  314.709   7.4310  325.293   7.2847 -10.58417 10.40608 
1 1 1  -32    3   34 o  463.505   7.7743  1476.55   46.083  1493.52   56.690  1443.49   79.123  468.138   8.9361  458.872   12.724 9.265533 15.54861 
1 1 1  -32    3   35 o  125.796   7.4302  107.658   12.666  107.658   12.666   0.0000   0.0000  125.796   7.4302  ?   ?       ?      ? 
1 1 1  -32    3   36 f  238.114   5.8123  385.736   17.966  384.810   22.390  387.411   30.107  237.884   6.9456  238.344   9.3214 -0.4597626 11.62451 
1 1 1  -32    3   37 o  282.391   5.0494  542.353   19.320  545.775   27.602  539.066   27.051  283.256   7.1908  281.525   7.0906 1.731049 10.09874 
1 1 1  -32    3   38 o  360.892   5.5274  886.581   27.029  890.548   38.557  882.749   37.901  361.675   7.8668  360.109   7.7667 1.565613 11.05480 
1 1 1  -32    3   39 o  366.044   5.5729  911.973   27.638  926.883   39.592  897.802   38.599  368.953   7.9186  363.135   7.8437 5.817413 11.14579 
1 1 1  -32    3   40 o  398.100   5.8191  1079.66   31.390  1077.74   44.642  1081.53   44.147  397.737   8.2826  398.463   8.1758 -0.7255859 11.63811 
1 1 1  -32    3   41 o  126.533   5.5955  109.166   9.5728  106.884   13.932  111.207   13.175  125.255   8.2082  127.812   7.6069 -2.557030 11.19104 
1 1 1  -32    3   42 o  204.900   5.0357  285.774   13.969  282.898   20.142  288.439   19.390  203.886   7.2901  205.914   6.9489 -2.028336 10.07139 
1 1 1  -32    3   43 o   79.949   7.3219   44.655   7.7565   36.903   11.535   51.053   10.479   73.385   11.599   86.512   8.9388 -13.12722 14.64388 
1 1 1  -32    3   44 o  164.715   6.4671  188.920   13.290  175.246   23.571  195.294   16.093  160.013   10.870  169.416   7.0095 -9.402512 12.93418 
1 1 1  -32    3   45 o  287.404   6.5371  566.890   23.619  555.688   41.940  572.092   28.582  284.907   10.863  289.902   7.2754 -4.994720 13.07418 
1 1 1  -32    3   46 o  202.142   6.0722  277.522   15.706  282.273   27.215  275.150   19.233  203.218   9.8823  201.066   7.0586 2.151886 12.14430 
1 1 1  -32    3   47 o  457.132   6.3528  1426.04   39.348  1449.26   56.261  1403.81   55.051  460.763   9.0104  453.500   8.9579 7.262726 12.70562 
1 1 1  -32    3   48 f  346.397   5.5598  817.503   26.093  832.503   37.354  803.209   36.465  349.492   7.8871  343.301   7.8383 6.191528 11.11961 
1 1 1  -32    3   49 o  282.243   5.2114  542.579   19.931  547.538   28.382  537.753   27.997  283.512   7.3873  280.974   7.3528 2.537567 10.42286 
1 1 1  -32    3   50 o  342.321   5.5199  798.948   25.605  789.108   36.214  808.785   36.207  340.200   7.8553  344.442   7.7571 -4.242065 11.03982 
1 1 1  -32    3   51 o  152.409   5.3422  157.780   11.006  174.424   16.055  143.025   15.116  159.983   7.4054  144.835   7.7016 15.14793 10.68434 
1 1 1  -32    3   52 o  207.847   6.5252  298.657   17.059  304.331   20.710  286.681   30.086  211.324   7.2319  204.370   10.863 6.954147 13.05041 
1 1 1  -32    3   53 o  209.718   5.0951  299.647   14.474  311.674   20.698  288.136   20.249  213.846   7.1424  205.591   7.2681 8.254868 10.19016 
1 1 1  -32    3   54 o   92.188   6.7241   58.425   8.3686   53.952   12.019   62.634   11.659   88.697   9.9997   95.678   8.9922 -6.980827 13.44818 
1 1 1  -32    3   55 o  285.539   5.2583  556.379   20.345  551.707   28.858  560.996   28.688  284.332   7.4895  286.745   7.3827 -2.412476 10.51655 
1 1 1  -32    3   56 o  321.131   6.4994  697.015   26.948  675.621   33.155  738.656   46.256  314.486   7.7797  327.776   10.414 -13.28967 12.99883 
1 1 1  -32    3   57 o  235.288   6.0271  374.482   18.505  362.692   23.067  395.774   30.998  230.458   7.3860  240.119   9.5264 -9.660492 12.05425 
1 1 1  -32    3   58 o  213.879   5.1351  312.513   14.880  305.840   21.082  319.138   21.005  211.582   7.3529  216.176   7.1702 -4.594269 10.27021 
1 1 1  -32    3   59 o   71.681   7.8662   35.423   7.6307   37.682   11.132   33.420   10.480   73.832   11.126   69.531   11.123 4.300484 15.73232 
1 1 1  -32    3   60 o  212.402   5.0828  308.485   14.627  305.783   20.851  311.103   20.524  211.463   7.2762  213.341   7.0990 -1.878342 10.16556 
1 1 1  -32    3   61 o   95.582   6.5228   62.603   8.4228   69.889   12.339   56.246   11.526  100.797   9.0336   90.367   9.4117 10.42965 13.04552 
1 1 1  -32    3   62 o  122.460   6.7815  100.193   10.793  115.022   18.538   92.587   13.276  128.848   10.617  116.073   8.4400 12.77511 13.56291 
1 1 1  -32    3   63 o  113.347   8.5339   95.195   11.287   78.409   21.422  101.645   13.280  105.056   15.047  121.638   8.0562 -16.58205 17.06787 
1 1 1  -32    3   64 o  212.597   7.3719  316.380   21.017  292.206   31.289  336.255   28.371  204.695   11.280  220.498   9.4948 -15.80217 14.74384 
1 1 1  -32    3   65 f  172.857   7.5023  209.571   17.302  198.619   26.489  217.720   22.849  168.430   11.605  177.284   9.5107 -8.853607 15.00466 
1 1 1  -32    3   66 o  121.090   5.7466  100.830   9.4153  108.786   13.689   93.686   12.971  125.634   8.0404  116.546   8.2127 9.088104 11.49328 
1 1 1  -32    3   67 o  168.442   6.7052  193.558   14.224  187.512   17.087  207.203   25.670  164.980   7.6429  171.905   11.019 -6.925323 13.41046 
1 1 1  -32    3   68 o  166.192   6.6336  187.211   13.920  178.818   16.710  206.239   25.160  161.000   7.6591  171.384   10.833 -10.38382 13.26716 
1 1 1  -32    3   69 o  159.745   5.2627  176.247   11.380  167.920   16.152  184.457   16.037  155.915   7.6446  163.575   7.2349 -7.659927 10.52538 
1 1 1  -32    3   70 o   61.925   8.8846   28.247   7.1986   30.826   10.397   25.873   9.9767   64.794   12.291   59.057   12.833 5.737572 17.76917 
1 1 1  -32    3   71 o  138.262   5.4225  132.417   10.155  138.050   14.507  127.006   14.221  141.178   7.5829  135.346   7.7533 5.831818 10.84501 
1 1 1  -32    3   72 f   77.074   7.1721   42.017   7.4687   45.881   10.612   38.224   10.513   80.724   9.7009   73.423   10.566 7.300751 14.34412 
1 1 1  -32    3   73 o   76.124   8.5237   43.198   8.2368   46.372   10.607   38.376   13.072   81.053   9.6573   71.196   14.048 9.857307 17.04743 
1 1 1  -32    3   74 o   96.856   7.3702   69.079   9.2521   77.235   11.994   57.095   14.538  104.985   8.4308   88.727   12.091 16.25800 14.74043 
1 1 1  -32    3   75 f  115.860   6.5661   94.914   10.056   94.591   12.885   95.417   16.081  116.159   8.1858  115.561   10.269 0.5983505 13.13229 
1 1 1  -32    3   76 o  186.852   6.9413  247.744   17.525  273.037   25.893  226.360   23.808  195.652   9.7658  178.052   9.8670 17.59990 13.88269 
1 1 1  -32    3   77 o   72.721   9.6958   40.403   9.3314   38.153   13.518   42.451   12.897   69.722   14.767   75.720   12.569 -5.997993 19.39169 
1 1 1  -32    3   78 f  187.480   9.6376  251.875   24.485   0.0000   0.0000  251.875   24.485  ?   ?   187.480   9.6376      ?      ? 
1 1 1  -32    3   79 o   93.025   11.130   63.369   14.031   0.0000   0.0000   63.369   14.031  ?   ?    93.025   11.130      ?      ? 
1 1 1  -32    3   80 o   86.315   11.546   55.075   13.505   0.0000   0.0000   55.075   13.505  ?   ?    86.315   11.546      ?      ? 
1 1 1  -32    4    1 o  134.665   5.7951  124.595   9.4449  120.959   17.858  126.008   11.129  133.138   9.8982  136.191   6.0300 -3.053314 11.59028 
1 1 1  -32    4    2 o  328.009   6.3372  731.786   26.039  736.916   46.868  729.495   31.317  328.482   10.529  327.537   7.0556 0.9449463 12.67434 
1 1 1  -32    4    3 o  485.560   13.026  1616.73   85.712  1616.73   85.712   0.0000   0.0000  485.560   13.026  ?   ?       ?      ? 
1 1 1  -32    4    4 o  155.751   5.8231  168.408   10.975  157.820   20.563  172.626   12.978  152.087   9.9773  159.414   6.0074 -7.327026 11.64625 
1 1 1  -32    4    5 o  119.100   6.0199   93.531   8.7060  103.529   16.898   89.918   10.158  123.172   10.124  115.029   6.5165 8.142723 12.03982 
1 1 1  -32    4    6 o  403.594   7.1091  1129.24   36.531  1057.59   62.552  1166.33   45.003  393.214   11.739  413.973   8.0220 -20.75922 14.21811 
1 1 1  -32    4    7 o  146.880   6.5397  142.584   12.816  176.260   20.352  120.454   16.498  160.808   9.3392  132.951   9.1569 27.85730 13.07936 
1 1 1  -32    4    8 o  254.548   5.6402  437.624   18.743  428.895   23.430  453.136   31.234  251.189   6.8833  257.907   8.9368 -6.717499 11.28036 
1 1 1  -32    4    9 o  119.182   5.2040   97.329   7.5330   98.272   8.8909   94.932   14.182  120.310   5.4533  118.054   8.8649 2.255798 10.40795 
1 1 1  -32    4   10 o  229.740   5.0804  351.020   13.995  342.389   16.254  375.752   27.516  224.578   5.3409  234.902   8.6439 -10.32405 10.16078 
1 1 1  -32    4   11 o  296.530   5.5673  598.101   19.745  597.929   23.034  598.580   38.341  296.738   5.7282  296.323   9.5481 0.4144592 11.13456 
1 1 1  -32    4   12 o  178.655   4.9998  213.731   10.843  209.785   12.705  224.314   20.807  175.793   5.3331  181.518   8.4587 -5.725677 9.999605 
1 1 1  -32    4   13 o  297.494   5.6604  615.386   20.268  631.855   23.901  573.226   38.243  305.036   5.7821  289.952   9.7328 15.08426 11.32081 
1 1 1  -32    4   14 o  249.583   5.3876  434.971   16.239  449.620   19.225  398.485   30.340  257.341   5.5127  241.825   9.2584 15.51671 10.77530 
1 1 1  -32    4   15 o  617.128   10.867  2600.65   90.883  2600.65   90.883   0.0000   0.0000  617.128   10.867  ?   ?       ?      ? 
1 1 1  -32    4   16 o  108.722   7.8080   80.414   11.504   80.414   11.504   0.0000   0.0000  108.722   7.8080  ?   ?       ?      ? 
1 1 1  -32    4   17 o  622.334   8.8149  2606.26   64.021  2563.70   73.474  2740.50  130.472  613.533   8.8372  631.135   15.255 -17.60168 17.62978 
1 1 1  -32    4   18 o  253.147   5.4138  441.563   16.564  448.693   19.525  423.255   31.288  257.068   5.6048  249.226   9.2640 7.841080 10.82759 
1 1 1  -32    4   19 o  299.317   5.6987  617.587   20.547  627.332   24.170  592.191   39.019  303.932   5.8684  294.702   9.7704 9.230286 11.39735 
1 1 1  -32    4   20 o  183.047   5.0821  222.274   11.412  215.160   13.422  240.833   21.680  178.015   5.5640  188.078   8.5062 -10.06299 10.16430 
1 1 1  -32    4   21 o  306.186   5.0268  637.229   20.853  643.896   29.840  630.867   29.154  307.744   7.1553  304.628   7.0623 3.116089 10.05355 
1 1 1  -32    4   22 o  227.519   4.6357  351.493   14.284  358.783   20.642  344.796   19.785  229.773   6.6294  225.264   6.4814 4.508881 9.271304 
1 1 1  -32    4   23 o  117.448   4.9966   94.590   7.8812   85.279   11.560  102.678   10.773  111.968   7.6183  122.928   6.4673 -10.95941 9.993234 
1 1 1  -32    4   24 o  258.889   4.7793  455.341   16.756  460.741   24.200  450.368   23.224  260.351   6.8591  257.427   6.6574 2.923553 9.558634 
1 1 1  -32    4   25 o  146.634   4.7103  146.245   9.3340  144.520   13.674  147.749   12.773  145.807   6.9204  147.462   6.3918 -1.655045 9.420557 
1 1 1  -32    4   26 o  407.997   5.7715  1133.12   31.908  1128.22   45.345  1137.93   44.906  407.109   8.2193  408.884   8.1045 -1.775024 11.54295 
1 1 1  -32    4   27 o  118.359   4.9909   94.945   7.9847   99.340   11.809   91.243   10.838  120.865   7.2096  115.852   6.9034 5.013031 9.981739 
1 1 1  -32    4   28 o  165.038   5.8822  188.731   12.122  176.842   21.536  194.245   14.666  161.003   9.8705  169.073   6.4010 -8.069534 11.76439 
1 1 1  -32    4   29 o  527.913   8.4496  1937.88   57.295  1808.04   96.239  2009.17   71.309  513.091   13.841  542.734   9.6955 -29.64301 16.89921 
1 1 1  -32    4   30 o  362.429   5.4649  893.840   26.837  893.602   38.258  894.071   37.656  362.369   7.7909  362.489   7.6658 -0.1201477 10.92986 
1 1 1  -32    4   31 o  137.440   5.8925  130.905   10.616  138.700   13.642  118.940   16.902  142.817   7.0490  132.064   9.4444 10.75252 11.78493 
1 1 1  -32    4   32 o  221.581   5.6523  331.002   16.281  323.091   20.220  345.586   27.453  217.991   6.8447  225.171   8.9970 -7.179733 11.30470 
1 1 1  -32    4   33 o  224.145   5.6901  340.282   16.604  335.750   20.713  348.431   27.776  222.212   6.8784  226.077   9.0663 -3.865082 11.38027 
1 1 1  -32    4   34 o  265.760   4.9253  480.470   17.732  469.288   25.190  491.453   24.965  262.678   7.0764  268.841   6.8526 -6.163300 9.850562 
1 1 1  -32    4   35 o  170.917   5.9721  196.501   13.055  191.592   15.916  206.594   22.823  167.842   6.9977  173.993   9.6797 -6.151184 11.94419 
1 1 1  -32    4   36 o  290.487   6.2984  576.735   23.351  579.676   28.615  570.874   40.398  291.901   7.2340  289.073   10.313 2.827667 12.59686 
1 1 1  -32    4   37 o  321.028   5.2608  701.368   22.882  700.003   32.664  702.683   32.065  320.707   7.5158  321.349   7.3632 -0.6418762 10.52157 
1 1 1  -32    4   38 o  271.664   5.0466  501.661   18.567  513.492   26.851  490.823   25.701  274.719   7.2127  268.609   7.0606 6.109131 10.09328 
1 1 1  -32    4   39 o  133.901   5.5083  121.848   9.9845  129.494   14.467  114.893   13.797  137.909   7.7411  129.894   7.8383 8.015427 11.01653 
1 1 1  -32    4   40 o  267.114   5.1350  485.754   18.579  471.181   26.361  500.138   26.189  263.110   7.3934  271.118   7.1281 -8.007477 10.27000 
1 1 1  -32    4   41 o  414.867   7.3766  1157.00   38.504  1230.43   69.627  1124.65   46.213  423.526   12.132  406.208   8.3952 17.31796 14.75310 
1 1 1  -32    4   42 o  322.535   6.6161  699.525   26.891  739.045   48.420  681.899   32.336  328.603   10.874  316.468   7.5402 12.13565 13.23214 
1 1 1  -32    4   43 o  360.664   5.6240  885.593   27.473  906.154   39.622  866.554   38.128  364.677   8.0176  356.651   7.8888 8.025574 11.24792 
1 1 1  -32    4   44 o  411.199   5.9733  1153.02   33.282  1135.76   47.058  1170.29   47.078  408.100   8.5091  414.297   8.3854 -6.197083 11.94654 
1 1 1  -32    4   45 o  196.172   5.0156  262.160   13.321  255.715   19.104  268.259   18.584  193.800   7.2741  198.544   6.9073 -4.743561 10.03116 
1 1 1  -32    4   46 o  396.409   7.1721  1062.68   35.981  1109.61   64.082  1041.07   43.482  402.074   11.761  390.744   8.2117 11.32993 14.34418 
1 1 1  -32    4   47 o  240.747   6.2203  396.608   18.942  392.959   33.345  398.346   23.017  239.603   10.270  241.891   7.0216 -2.288254 12.44067 
1 1 1  -32    4   48 f  222.247   5.0529  336.224   15.210  341.144   21.924  331.658   21.120  223.801   7.2291  220.693   7.0618 3.107361 10.10589 
1 1 1  -32    4   49 o  161.575   5.2176  178.252   11.399  167.141   16.272  188.960   15.974  156.584   7.6685  166.566   7.0772 -9.982040 10.43513 
1 1 1  -32    4   50 o  143.677   5.4204  141.307   10.510  129.064   15.055  152.947   14.679  137.533   8.0775  149.822   7.2302 -12.28941 10.84077 
1 1 1  -32    4   51 o  140.495   5.4366  134.259   10.336  142.689   15.092  126.811   14.186  144.636   7.6998  136.355   7.6771 8.281464 10.87318 
1 1 1  -32    4   52 o  245.487   6.4588  404.403   20.063  390.832   24.170  434.472   35.977  239.391   7.4506  251.583   10.552 -12.19284 12.91766 
1 1 1  -32    4   53 o  279.944   6.6039  536.506   23.379  536.133   28.371  537.295   41.269  280.331   7.4683  279.559   10.894 0.7720032 13.20784 
1 1 1  -32    4   54 o  184.691   5.1620  232.786   12.901  216.946   18.124  249.053   18.368  178.285   7.5018  191.096   7.0928 -12.81122 10.32397 
1 1 1  -32    4   55 f  118.769   6.5517   94.987   10.359   88.120   13.268  105.712   16.580  113.460   8.6291  124.078   9.8608 -10.61781 13.10333 
1 1 1  -32    4   56 o   46.322   10.194   14.959   7.1511   12.171   10.425   17.436   9.8281   43.277   14.792   49.366   14.030 -6.089207 20.38712 
1 1 1  -32    4   57 o  229.923   5.1177  361.055   15.937  362.766   22.951  359.461   22.146  230.420   7.3503  229.426   7.1230 0.9940338 10.23543 
1 1 1  -32    4   58 f  130.551   5.6854  116.648   10.051  118.437   14.539  115.011   13.910  131.488   8.1595  129.613   7.9193 1.874802 11.37071 
1 1 1  -32    4   59 o  206.126   7.2389  291.530   20.050  305.765   30.689  280.930   26.483  210.291   10.769  201.960   9.6765 8.330826 14.47787 
1 1 1  -32    4   60 o  203.736   6.7183  295.088   17.061  261.636   29.865  311.293   20.786  194.164   11.350  213.307   7.1910 -19.14256 13.43651 
1 1 1  -32    4   61 o  212.021   6.5073  301.989   17.147  329.509   31.855  290.763   20.346  217.987   10.784  206.055   7.2864 11.93147 13.01463 
1 1 1  -32    4   62 o  183.774   7.2217  231.408   17.985   0.0000   0.0000  231.408   17.985  ?   ?   183.774   7.2217      ?      ? 
1 1 1  -32    4   63 o  224.346   5.1839  344.655   15.736  355.800   23.026  334.890   21.555  227.693   7.4626  220.999   7.1974 6.694031 10.36788 
1 1 1  -32    4   64 o  193.162   5.1514  256.337   13.467  241.577   19.039  271.117   19.052  187.520   7.4922  198.804   7.0720 -11.28345 10.30274 
1 1 1  -32    4   65 o   84.770   6.9524   50.025   7.9697   46.634   11.316   53.362   11.226   81.833   10.204   87.707   9.4454 -5.874512 13.90476 
1 1 1  -32    4   66 o  179.513   5.1392  221.616   12.500  223.684   17.870  219.635   17.491  180.316   7.3131  178.710   7.2224 1.606110 10.27831 
1 1 1  -32    4   67 o   61.148   8.5815   27.656   7.3827   7.9140   10.172   49.635   10.732   37.846   14.374   84.450   9.3780 -46.60354 17.16294 
1 1 1  -32    4   68 o  105.897   7.9026   78.525   10.450   77.559   12.533   80.729   18.928  105.652   8.7540  106.143   13.159 -0.4905090 15.80520 
1 1 1  -32    4   69 o  119.844   5.7111   99.574   9.2746  100.754   13.209   98.426   13.025  120.542   8.0863  119.147   8.0672 1.394203 11.42226 
1 1 1  -32    4   70 o   56.948   8.5441   23.708   6.9914   41.421   10.198   7.9994   9.6036   76.781   9.8009   37.115   13.998 39.66640 17.08829 
1 1 1  -32    4   71 o   86.547   7.6421   53.618   8.6916   55.094   11.131   51.311   13.913   88.613   9.2695   84.482   12.152 4.131577 15.28415 
1 1 1  -32    4   72 f  106.997   6.7658   80.604   9.5549   80.190   12.206   81.261   15.355  107.119   8.4085  106.876   10.602 0.2428360 13.53166 
1 1 1  -32    4   73 o  164.441   6.1438  192.218   13.182  199.697   16.755  180.069   21.354  169.537   7.2930  159.344   9.8893 10.19295 12.28761 
1 1 1  -32    4   74 o   54.224   9.8810   23.674   7.5952   30.058   9.9493   14.758   11.758   63.452   12.011   44.996   15.693 18.45608 19.76208 
1 1 1  -32    4   75 f  164.085   6.1072  191.093   13.124  195.021   16.682  184.713   21.260  167.192   7.3628  160.978   9.7458 6.213531 12.21436 
1 1 1  -32    4   76 o   53.926   11.077   22.913   8.7044   28.936   12.716   17.602   11.941   60.178   15.498   47.674   15.829 12.50448 22.15328 
1 1 1  -32    4   77 o   52.549   15.527   22.136   11.825   0.0000   0.0000   22.136   11.825  ?   ?    52.549   15.527      ?      ? 
1 1 1  -32    4   78 o  121.585   10.399  107.161   17.133   0.0000   0.0000  107.161   17.133  ?   ?   121.585   10.399      ?      ? 
1 1 1  -32    4   79 o   61.860   14.956   30.812   12.399   0.0000   0.0000   30.812   12.399  ?   ?    61.860   14.956      ?      ? 
1 1 1  -32    4   80 o   60.817   15.187   30.110   12.479   0.0000   0.0000   30.110   12.479  ?   ?    60.817   15.187      ?      ? 
1 1 1  -32    5    1 o  186.254   4.4408  234.167   11.135  249.156   16.929  222.736   14.784  191.450   6.5251  181.058   6.0255 10.39182 8.881609 
1 1 1  -32    5    2 o  221.343   4.5268  333.574   13.522  326.036   19.927  340.007   18.408  218.987   6.7150  223.699   6.0725 -4.711792 9.053560 
1 1 1  -32    5    3 o  164.585   5.9427  184.025   13.254   0.0000   0.0000  184.025   13.254  ?   ?   164.585   5.9427      ?      ? 
1 1 1  -32    5    4 o  228.266   4.5648  353.737   14.067  358.669   20.883  349.639   19.033  229.693   6.7090  226.839   6.1918 2.853775 9.129587 
1 1 1  -32    5    5 o  202.500   6.6182  278.740   18.161  278.740   18.161   0.0000   0.0000  202.500   6.6182  ?   ?       ?      ? 
1 1 1  -32    5    6 o  113.634   4.8069   87.304   7.3469   91.598   11.199   84.059   9.7343  116.056   7.1210  111.213   6.4590 4.842720 9.613895 
1 1 1  -32    5    7 o  139.437   5.0071  136.313   8.4578  141.836   10.051  122.916   15.655  144.546   5.1312  134.329   8.5998 10.21646 10.01427 
1 1 1  -32    5    8 o  222.480   5.0372  333.797   13.556  330.435   15.881  342.828   26.025  220.611   5.3121  224.349   8.5602 -3.737442 10.07446 
1 1 1  -32    5    9 o  273.092   5.3019  498.684   17.404  488.894   20.267  526.182   33.967  268.319   5.5739  277.866   9.0207 -9.547791 10.60379 
1 1 1  -32    5   10 o  240.733   5.5621  393.606   17.598  391.196   22.287  397.597   28.680  239.883   6.8559  241.583   8.7604 -1.700638 11.12422 
1 1 1  -32    5   11 o  308.650   6.0004  640.580   24.099  620.460   29.922  677.733   40.660  302.039   7.3104  315.260   9.5173 -13.22122 12.00088 
1 1 1  -32    5   12 o  125.116   5.0194  103.761   7.8341   99.820   9.3147  113.287   14.482  121.239   5.6695  128.994   8.2846 -7.754776 10.03884 
1 1 1  -32    5   13 o  372.962   6.1665  936.284   27.393  924.181   31.787  971.212   54.000  368.797   6.3603  377.126   10.566 -8.329834 12.33300 
1 1 1  -32    5   14 o  230.123   5.1165  356.493   14.353  351.893   16.885  368.476   27.253  227.653   5.4731  232.592   8.6464 -4.938934 10.23307 
1 1 1  -32    5   15 o  418.276   6.5923  1170.53   32.638  1147.91   37.690  1238.34   65.260  410.945   6.7679  425.607   11.315 -14.66208 13.18458 
1 1 1  -32    5   16 o  133.211   5.0774  116.194   8.4840  109.450   10.092  132.449   15.667  126.943   5.8664  139.479   8.2890 -12.53578 10.15486 
1 1 1  -32    5   17 o  417.031   6.8025  1182.20   38.443  1182.20   38.443   0.0000   0.0000  417.031   6.8025  ?   ?       ?      ? 
1 1 1  -32    5   18 o  233.540   5.5422  370.346   17.540  370.346   17.540   0.0000   0.0000  233.540   5.5422  ?   ?       ?      ? 
1 1 1  -32    5   19 o  374.452   6.2205  941.925   27.791  927.529   32.260  983.347   54.724  369.450   6.4436  379.454   10.642 -10.00363 12.44101 
1 1 1  -32    5   20 o  121.510   5.4996  101.871   8.3630  104.249   10.119   96.747   14.854  123.881   6.0277  119.139   9.2006 4.742508 10.99927 
1 1 1  -32    5   21 o  310.662   7.4564  656.491   31.391  656.491   31.391   0.0000   0.0000  310.662   7.4564  ?   ?       ?      ? 
1 1 1  -32    5   22 o  232.634   5.6301  367.515   17.749  367.515   17.749   0.0000   0.0000  232.634   5.6301  ?   ?       ?      ? 
1 1 1  -32    5   23 o  274.880   5.8304  513.177   20.774  510.118   25.817  518.795   34.987  273.912   6.9552  275.848   9.3595 -1.935699 11.66086 
1 1 1  -32    5   24 o  215.968   4.6168  316.321   13.496  331.722   19.666  302.610   18.556  220.922   6.5688  211.014   6.4891 9.908844 9.233527 
1 1 1  -32    5   25 f  138.732   4.7312  131.195   8.8680  124.473   12.830  137.345   12.271  135.299   6.9974  142.166   6.3696 -6.867035 9.462373 
1 1 1  -32    5   26 o  109.113   6.0186   81.352   8.6957   82.341   11.205   79.856   13.788  110.012   7.5163  108.214   9.4020 1.797623 12.03713 
1 1 1  -32    5   27 o  205.909   5.5719  291.583   14.993  300.546   19.016  276.856   24.375  210.267   6.6738  201.551   8.9245 8.715958 11.14389 
1 1 1  -32    5   28 o  241.376   5.6744  396.607   17.839  396.495   22.336  396.805   29.644  241.488   6.8254  241.265   9.0669 0.2223511 11.34879 
1 1 1  -32    5   29 o  189.423   9.6687  244.818   24.819  244.818   24.819   0.0000   0.0000  189.423   9.6687  ?   ?       ?      ? 
1 1 1  -32    5   30 o  225.508   5.8548  344.308   16.580  351.810   29.819  340.952   19.947  227.061   9.6910  223.956   6.5726 3.104813 11.70961 
1 1 1  -32    5   31 f  199.125   4.7040  269.411   12.681  272.984   18.395  266.175   17.505  200.370   6.7746  197.880   6.5281 2.490173 9.408073 
1 1 1  -32    5   32 o  216.983   4.7486  320.208   13.947  318.217   20.171  322.032   19.306  216.318   6.8812  217.648   6.5457 -1.330536 9.497160 
1 1 1  -32    5   33 o  168.948   4.8043  194.326   10.971  190.665   16.014  197.564   15.061  167.423   7.0584  170.474   6.5194 -3.050995 9.608506 
1 1 1  -32    5   34 o  198.735   4.7732  268.276   12.838  274.107   18.722  263.100   17.637  200.757   6.8817  196.713   6.6163 4.043961 9.546352 
1 1 1  -32    5   35 o  182.407   7.0883  226.351   17.521  226.351   17.521   0.0000   0.0000  182.407   7.0883  ?   ?       ?      ? 
1 1 1  -32    5   36 o  179.785   6.5927  224.009   14.782  229.717   17.850  211.554   26.367  183.744   7.1688  175.825   11.066 7.919189 13.18537 
1 1 1  -32    5   37 o  148.752   5.3837  150.504   10.813  152.261   16.031  149.038   14.647  149.520   7.9118  147.985   7.3036 1.534653 10.76748 
1 1 1  -32    5   38 o  217.758   6.2204  328.336   17.035  309.776   29.925  337.234   20.719  212.861   10.374  222.655   6.8668 -9.793594 12.44082 
1 1 1  -32    5   39 o  220.470   6.0889  333.110   16.975  326.680   29.825  336.191   20.645  218.635   10.066  222.306   6.8530 -3.670456 12.17778 
1 1 1  -32    5   40 o  223.942   4.9415  340.745   14.980  351.360   21.810  331.266   20.610  227.226   7.0831  220.658   6.8924 6.567673 9.883056 
1 1 1  -32    5   41 o  155.812   5.1072  165.664   10.754  158.014   15.564  172.653   14.875  152.329   7.5399  159.295   6.8910 -6.965515 10.21447 
1 1 1  -32    5   42 o  135.100   5.3485  124.484   9.7670  121.529   14.233  127.114   13.427  133.554   7.8643  136.645   7.2512 -3.090912 10.69709 
1 1 1  -32    5   43 o  305.367   5.2674  634.486   21.781  649.062   31.546  621.208   30.109  308.696   7.5411  302.038   7.3562 6.658295 10.53476 
1 1 1  -32    5   44 o  190.725   5.0541  247.397   13.042  252.255   19.056  243.117   17.889  192.464   7.3063  188.987   6.9851 3.477417 10.10810 
1 1 1  -32    5   45 o  252.831   5.0889  435.231   17.421  437.126   25.174  433.489   24.134  253.334   7.3328  252.327   7.0581 1.007813 10.17775 
1 1 1  -32    5   46 o  289.721   6.4164  567.877   23.459  588.732   41.941  558.381   28.300  293.135   10.558  286.308   7.2941 6.827057 12.83278 
1 1 1  -32    5   47 o  211.853   6.3499  314.634   16.926  284.270   29.334  329.789   20.724  203.638   10.630  220.068   6.9492 -16.42989 12.69974 
1 1 1  -32    5   48 o  202.034   5.1067  278.615   13.956  263.768   19.948  292.847   19.531  196.712   7.4832  207.357   6.9507 -10.64520 10.21331 
1 1 1  -32    5   49 o  210.493   5.0846  302.044   14.491  299.476   20.878  304.431   20.130  209.602   7.3506  211.383   7.0273 -1.781387 10.16927 
1 1 1  -32    5   50 o  172.909   5.1919  204.191   12.141  197.039   17.537  210.775   16.826  169.955   7.6143  175.862   7.0602 -5.907074 10.38385 
1 1 1  -32    5   51 o  177.693   5.1285  215.614   12.325  209.691   17.849  221.013   17.040  175.315   7.5129  180.070   6.9830 -4.754776 10.25706 
1 1 1  -32    5   52 o  102.702   9.2062   72.247   12.813   72.247   12.813   0.0000   0.0000  102.702   9.2062  ?   ?       ?      ? 
1 1 1  -32    5   53 o  157.470   7.6487  169.349   16.322  169.349   16.322   0.0000   0.0000  157.470   7.6487  ?   ?       ?      ? 
1 1 1  -32    5   54 o  174.906   7.2173  211.825   16.951  197.297   25.187  223.854   22.918  169.182   10.986  180.630   9.3628 -11.44850 14.43456 
1 1 1  -32    5   55 o  103.576   8.0699   76.042   10.382   69.106   18.411   79.277   12.572   99.591   13.642  107.561   8.6249 -7.969490 16.13987 
1 1 1  -32    5   56 o  146.277   5.4716  146.494   10.824  144.432   15.751  148.339   14.900  145.253   8.0023  147.302   7.4643 -2.048950 10.94312 
1 1 1  -32    5   57 o  194.167   5.1554  258.205   13.524  234.621   19.083  282.005   19.170  185.167   7.6048  203.168   6.9628 -18.00023 10.31084 
1 1 1  -32    5   58 o  179.961   5.1851  221.861   12.623  216.134   18.250  227.113   17.479  177.672   7.5799  182.251   7.0772 -4.578049 10.37025 
1 1 1  -32    5   59 o  236.883   5.2162  384.427   16.727  379.443   24.116  389.049   23.222  235.339   7.5617  238.426   7.1871 -3.086899 10.43235 
1 1 1  -32    5   60 o  187.372   6.6460  235.326   15.371  259.213   28.953  225.951   18.137  193.153   11.061  181.591   7.3706 11.56232 13.29208 
1 1 1  -32    5   61 f  249.542   5.2198  427.344   17.637  416.499   25.237  437.698   24.659  246.373   7.5589  252.712   7.2007 -6.338486 10.43970 
1 1 1  -32    5   62 o  153.731   6.3988  160.081   12.544  172.654   22.159  154.152   15.217  157.626   10.374  149.837   7.4944 7.789001 12.79758 
1 1 1  -32    5   63 o  208.140   5.1634  297.390   14.546  300.139   21.140  294.919   20.046  208.990   7.4645  207.289   7.1361 1.700531 10.32677 
1 1 1  -32    5   64 o  163.166   5.2621  183.107   11.625  183.416   16.800  182.824   16.103  163.248   7.5939  163.084   7.2863 0.1636047 10.52419 
1 1 1  -32    5   65 o  176.845   5.1936  214.525   12.424  232.164   18.156  198.993   17.038  183.677   7.2944  170.014   7.3951 13.66333 10.38726 
1 1 1  -32    5   66 o  106.087   6.1655   78.234   8.8453   74.256   12.683   82.003   12.343  103.358   9.0549  108.815   8.3702 -5.457497 12.33091 
1 1 1  -32    5   67 o  244.352   6.6799  423.162   20.606  435.566   25.203  398.148   35.790  251.221   7.4031  237.483   11.121 13.73763 13.35972 
1 1 1  -32    5   68 o   64.372   10.735   26.927   8.7169   19.097   10.305   46.620   16.343   50.471   14.374   78.274   15.949 -27.80309 21.47038 
1 1 1  -32    5   69 o  109.525   5.9516   83.489   8.7909   94.646   12.653   73.079   12.222  116.738   7.9985  102.312   8.8155 14.42673 11.90330 
1 1 1  -32    5   70 o   49.558   9.7931   19.386   7.5950   27.613   9.7254   6.5255   12.160   61.044   12.183   38.073   15.336 22.97120 19.58614 
1 1 1  -32    5   71 o   96.168   7.3202   66.884   9.1591   70.721   11.676   60.745   14.768  100.516   8.5718   91.819   11.869 8.696846 14.64033 
1 1 1  -32    5   72 o  149.536   6.1779  156.059   12.033  153.358   15.028  160.885   20.088  148.460   7.4696  150.613   9.8424 -2.153076 12.35584 
1 1 1  -32    5   73 o   43.384   10.347   13.029   7.1082   9.9187   9.0536   18.026   11.477   38.319   13.733   48.450   15.480 -10.13137 20.69344 
1 1 1  -32    5   74 o  110.511   6.7741   88.610   9.7495   94.173   12.468   79.857   15.640  115.896   7.9388  105.126   10.979 10.77015 13.54827 
1 1 1  -32    5   75 o  106.366   7.8168   81.346   11.140   99.697   16.551   66.149   15.062  117.651   10.381   95.080   11.690 22.57027 15.63369 
1 1 1  -32    5   76 o  151.625   9.6852  164.793   19.901   0.0000   0.0000  164.793   19.901  ?   ?   151.625   9.6852      ?      ? 
1 1 1  -32    5   77 o  155.850   9.7265  174.664   20.542   0.0000   0.0000  174.664   20.542  ?   ?   155.850   9.7265      ?      ? 
1 1 1  -32    5   78 o   91.374   11.595   61.728   14.357   0.0000   0.0000   61.728   14.357  ?   ?    91.374   11.595      ?      ? 
1 1 1  -32    5   79 o   63.558   14.899   32.629   12.609   0.0000   0.0000   32.629   12.609  ?   ?    63.558   14.899      ?      ? 
1 1 1  -32    6    1 o  352.771   6.4371  847.513   29.509  844.087   36.808  853.674   49.366  352.106   7.7142  353.435   10.307 -1.329224 12.87414 
1 1 1  -32    6    2 o  142.983   4.6079  141.218   8.7361  126.490   13.410  152.077   11.515  136.344   7.2579  149.622   5.6791 -13.27780 9.215712 
1 1 1  -32    6    3 o   33.947   8.3342   5.5791   4.6054   11.605   8.0421   2.6388   5.6177   41.294   12.929   26.601   10.520 14.69308 16.66848 
1 1 1  -32    6    4 o  249.668   6.2811  423.665   21.251   0.0000   0.0000  423.665   21.251  ?   ?   249.668   6.2811      ?      ? 
1 1 1  -32    6    5 o  136.722   4.6220  126.072   8.4636  133.459   13.157  120.856   11.055  140.083   6.9307  133.360   6.1169 6.723206 9.244015 
1 1 1  -32    6    6 o  269.450   5.2942  499.777   17.336  507.229   20.497  481.053   32.491  273.282   5.5348  265.617   9.0266 7.665253 10.58837 
1 1 1  -32    6    7 o  347.307   5.8438  798.536   24.148  774.630   27.895  870.024   48.237  337.638   6.0965  356.975   9.9715 -19.33636 11.68754 
1 1 1  -32    6    8 o  286.530   5.3823  552.979   18.622  546.173   21.782  571.466   35.901  283.568   5.6684  289.491   9.1513 -5.923584 10.76463 
1 1 1  -32    6    9 o  267.143   5.2437  479.541   16.958  472.326   19.853  499.014   32.615  263.716   5.5553  270.570   8.8951 -6.854095 10.48732 
1 1 1  -32    6   10 o  256.466   5.2087  444.761   16.266  441.301   19.145  453.743   30.842  254.910   5.5421  258.022   8.8208 -3.111084 10.41733 
1 1 1  -32    6   11 o  412.407   6.4848  1132.65   31.663  1105.17   36.528  1215.68   63.500  403.190   6.6854  421.624   11.114 -18.43439 12.96967 
1 1 1  -32    6   12 o  231.063   5.4846  359.805   16.731  348.142   21.221  378.967   27.200  226.268   6.9209  235.857   8.5103 -9.588989 10.96922 
1 1 1  -32    6   13 o  136.662   5.4166  124.566   9.9271  109.125   12.965  146.449   15.434  126.637   7.5548  146.687   7.7644 -20.04944 10.83329 
1 1 1  -32    6   14 o  241.556   5.0901  384.965   14.962  370.678   17.485  424.030   28.913  233.630   5.5226  249.483   8.5520 -15.85286 10.18012 
1 1 1  -32    6   15 o  280.923   5.4052  531.491   18.399  524.763   21.564  549.498   35.278  277.956   5.7249  283.890   9.1701 -5.934357 10.81042 
1 1 1  -32    6   16 o   81.607   6.1247   46.364   6.3352   48.354   7.7935   42.486   10.877   84.331   6.8197   78.883   10.175 5.448975 12.24941 
1 1 1  -32    6   17 o  275.563   5.3921  513.409   18.069  509.233   21.248  524.318   34.341  273.812   5.7264  277.315   9.1381 -3.503693 10.78410 
1 1 1  -32    6   18 o  246.941   5.2248  409.867   15.769  403.453   18.570  426.448   29.858  243.730   5.6225  250.152   8.8081 -6.421768 10.44960 
1 1 1  -32    6   19 o  140.082   6.7422  133.410   12.799  133.410   12.799   0.0000   0.0000  140.082   6.7422  ?   ?       ?      ? 
1 1 1  -32    6   20 f  239.298   5.5703  386.012   17.273  377.167   21.373  402.665   29.327  235.539   6.6962  243.058   8.9037 -7.519165 11.14070 
1 1 1  -32    6   21 o  416.744   7.0078  1167.19   37.440  1130.79   45.695  1241.55   65.303  407.473   8.2754  426.016   11.312 -18.54288 14.01561 
1 1 1  -32    6   22 o  253.836   5.6515  438.406   18.697  437.676   23.425  439.688   31.038  253.711   6.8132  253.960   9.0189 -0.2487335 11.30308 
1 1 1  -32    6   23 o  272.178   5.4099  489.668   17.892  472.402   20.900  537.044   34.620  263.704   5.8485  280.651   9.1028 -16.94730 10.81971 
1 1 1  -32    6   24 o  294.106   5.6086  581.177   20.025  571.755   23.479  606.328   38.359  290.094   5.9724  298.118   9.4951 -8.024231 11.21723 
1 1 1  -32    6   25 o  360.476   6.1319  862.565   26.409  837.994   30.589  934.507   52.341  351.120   6.4287  369.831   10.444 -18.71066 12.26374 
1 1 1  -32    6   26 o  265.593   7.0288  481.596   25.292  467.852   35.628  495.559   35.910  261.752   10.044  269.434   9.8352 -7.682251 14.05761 
1 1 1  -32    6   27 o  134.074   7.1956  122.865   13.028  109.924   18.241  136.339   18.613  126.815   10.614  141.332   9.7182 -14.51692 14.39113 
1 1 1  -32    6   28 o  255.205   4.8379  442.812   16.720  445.779   24.127  440.071   23.193  256.011   6.9543  254.398   6.7275 1.613342 9.675794 
1 1 1  -32    6   29 o   27.503   8.2764  -2.0901   5.5544   4.3384   8.6747  -6.5571   7.2312   33.242   13.096   21.764   10.124 11.47814 16.55272 
1 1 1  -32    6   30 o  127.048   6.5334  112.206   10.285  104.845   18.501  115.498   12.374  123.792   11.029  130.304   7.0073 -6.512611 13.06672 
1 1 1  -32    6   31 o  371.562   6.9099  944.600   32.582  937.102   57.018  948.236   39.703  369.960   11.373  373.165   7.8512 -3.204865 13.81975 
1 1 1  -32    6   32 o  264.958   5.0395  477.385   18.086  486.030   26.054  469.344   25.127  267.262   7.1936  262.655   7.0595 4.607452 10.07897 
1 1 1  -32    6   33 o  358.252   6.8460  883.911   31.210  853.996   53.952  898.956   38.262  353.166   11.273  363.337   7.7709 -10.17136 13.69201 
1 1 1  -32    6   34 f  611.502   9.4050  2528.30   72.477  2688.62  130.591  2456.93   87.127  623.715   15.451  599.287   10.728 24.42780 18.81008 
1 1 1  -32    6   35 o  380.116   7.0019  995.251   33.928  962.797   58.467  1011.73   41.659  374.855   11.510  385.377   7.9771 -10.52231 14.00382 
1 1 1  -32    6   36 o  218.196   6.3102  333.771   17.469  352.721   21.602  297.955   29.698  227.680   7.0015  208.712   10.500 18.96761 12.62039 
1 1 1  -32    6   37 o  253.939   6.2981  446.139   20.384  458.990   25.107  421.288   34.914  259.693   7.1342  248.186   10.381 11.50769 12.59612 
1 1 1  -32    6   38 o  259.242   4.9983  457.167   17.542  462.316   25.437  452.497   24.225  260.612   7.2025  257.873   6.9323 2.738586 9.996665 
1 1 1  -32    6   39 o  163.578   5.0508  182.705   11.147  175.121   16.348  189.293   15.238  160.355   7.5233  166.801   6.7412 -6.446121 10.10164 
1 1 1  -32    6   40 o  214.079   4.9360  312.081   14.298  308.962   20.736  314.908   19.743  213.031   7.1828  215.128   6.7722 -2.096741 9.871964 
1 1 1  -32    6   41 o  189.996   5.0033  246.342   12.849  234.150   18.534  257.625   17.829  185.420   7.3762  194.572   6.7620 -9.152252 10.00662 
1 1 1  -32    6   42 o  392.946   5.8246  1053.20   31.008  1024.11   43.778  1082.48   43.925  387.469   8.3376  398.423   8.1355 -10.95450 11.64912 
1 1 1  -32    6   43 o  273.745   5.1862  509.846   19.217  522.891   27.978  498.194   26.441  277.032   7.4525  270.458   7.2145 6.574707 10.37244 
1 1 1  -32    6   44 o  471.969   6.4809  1521.96   41.440  1538.25   59.388  1506.51   57.853  474.397   9.2379  469.540   9.0923 4.856842 12.96180 
1 1 1  -32    6   45 o  261.560   5.1743  465.550   18.320  479.021   26.674  453.523   25.204  265.115   7.4246  258.006   7.2088 7.109253 10.34851 
1 1 1  -32    6   46 o  436.284   6.2477  1300.67   36.919  1303.91   53.083  1297.64   51.383  436.753   8.9688  435.814   8.7003 0.9390869 12.49538 
1 1 1  -32    6   47 o  384.684   7.2263  1028.99   35.385  971.305   60.711  1058.67   43.547  375.581   11.928  393.786   8.1605 -18.20517 14.45261 
1 1 1  -32    6   48 o  288.720   7.6145  568.711   29.792  568.711   29.792   0.0000   0.0000  288.720   7.6145  ?   ?       ?      ? 
1 1 1  -32    6   49 o  287.843   6.2834  567.182   23.685  568.022   29.900  565.768   38.808  288.492   7.6481  287.194   9.9716 1.297302 12.56688 
1 1 1  -32    6   50 f  364.875   7.9936  914.329   39.418  953.259   58.355  881.661   53.456  371.848   11.581  357.901   11.022 13.94736 15.98719 
1 1 1  -32    6   51 o  167.389   6.0883  192.051   13.518  193.134   17.451  190.426   21.376  168.156   7.6580  166.623   9.4671 1.533539 12.17663 
1 1 1  -32    6   52 o   61.485   11.463   24.608   9.1878   19.067   11.003   37.375   16.701   51.614   14.900   71.356   17.422 -19.74235 22.92507 
1 1 1  -32    6   53 o  244.131   6.4580  404.203   19.969  395.750   24.149  422.478   35.508  240.669   7.4046  247.593   10.583 -6.923737 12.91607 
1 1 1  -32    6   54 o  147.623   5.4748  149.933   10.869  129.588   15.438  169.929   15.305  137.534   8.2832  157.712   7.1611 -20.17780 10.94957 
1 1 1  -32    6   55 o  217.891   5.0932  324.647   15.033  319.744   21.448  329.382   21.077  216.242   7.3192  219.540   7.0846 -3.297760 10.18639 
1 1 1  -32    6   56 o  233.266   5.1327  372.360   16.215  367.478   23.241  376.991   22.635  231.732   7.4009  234.801   7.1138 -3.068558 10.26548 
1 1 1  -32    6   57 o  133.385   7.3035  124.688   11.951  119.002   21.944  127.085   14.249  130.600   12.399  136.170   7.7218 -5.570740 14.60706 
1 1 1  -32    6   58 o  253.171   6.5544  435.554   20.641  458.306   37.967  426.008   24.593  256.951   10.904  249.390   7.2769 7.561844 13.10881 
1 1 1  -32    6   59 o  179.920   5.2555  222.080   12.789  220.579   18.640  223.415   17.579  179.275   7.6727  180.566   7.1841 -1.290619 10.51102 
1 1 1  -32    6   60 o  211.953   5.1372  306.851   14.722  328.652   21.718  288.316   20.025  218.869   7.3225  205.038   7.2072 13.83109 10.27438 
1 1 1  -32    6   61 o   92.571   6.9289   60.979   8.3979   44.087   12.040   76.984   11.720   79.430   11.185  105.711   8.1811 -26.28023 13.85789 
1 1 1  -32    6   62 o  216.462   6.1654  315.732   16.922  347.339   30.352  301.475   20.384  223.428   10.025  209.495   7.1803 13.93314 12.33081 
1 1 1  -32    6   63 o  113.400   6.1881   91.144   9.1931   65.592   13.107  115.888   12.898   97.017   9.9694  129.784   7.3334 -32.76656 12.37612 
1 1 1  -32    6   64 o  219.029   5.1611  330.686   15.304  317.770   21.810  343.212   21.478  214.715   7.4958  223.342   7.0966 -8.626755 10.32220 
1 1 1  -32    6   65 f  211.979   5.1586  309.638   14.807  313.673   21.432  305.954   20.480  213.238   7.4168  210.720   7.1720 2.518585 10.31729 
1 1 1  -32    6   66 o   32.531   9.2246   3.0344   6.3832   8.4924   9.5067  -1.4465   8.6137   37.665   13.982   27.396   12.036 10.26923 18.44913 
1 1 1  -32    6   67 o  147.274   6.7412  151.205   12.552  149.766   15.214  154.271   22.211  147.061   7.6343  147.487   11.113 -0.4264984 13.48243 
1 1 1  -32    6   68 o  103.557   8.5768   74.828   12.036   74.828   12.036   0.0000   0.0000  103.557   8.5768  ?   ?       ?      ? 
1 1 1  -32    6   69 o   42.522   10.215   11.969   6.9942   8.3950   8.9829   17.472   11.146   36.822   13.607   48.222   15.239 -11.40056 20.42968 
1 1 1  -32    6   70 o   57.530   9.6326   25.987   7.5661   30.833   9.7252   18.557   12.043   65.660   10.930   49.401   15.864 16.25848 19.26511 
1 1 1  -32    6   71 o  140.048   6.2014  137.280   11.358  135.319   14.271  140.667   18.757  139.355   7.5572  140.741   9.8346 -1.386353 12.40284 
1 1 1  -32    6   72 o   51.354   10.096   20.515   7.1899   21.054   9.1801   19.659   11.564   52.479   12.981   50.229   15.468 2.249722 20.19272 
1 1 1  -32    6   73 f   63.058   9.3583   29.208   7.5053   25.630   9.3348   35.750   12.622   58.195   12.226   67.921   14.172 -9.726627 18.71651 
1 1 1  -32    6   74 o   69.915   10.868   38.448   9.9042   41.457   15.409   36.330   12.929   71.702   16.236   68.128   14.452 3.574486 21.73575 
1 1 1  -32    6   75 o   33.499   13.896   4.1856   10.352   0.0000   0.0000   4.1856   10.352  ?   ?    33.499   13.896      ?      ? 
1 1 1  -32    6   76 o   50.788   15.085   20.695   11.138   0.0000   0.0000   20.695   11.138  ?   ?    50.788   15.085      ?      ? 
1 1 1  -32    6   77 o  130.611   10.029  123.571   17.751   0.0000   0.0000  123.571   17.751  ?   ?   130.611   10.029      ?      ? 
1 1 1  -32    6   78 o   45.139   15.525   15.978   11.487   0.0000   0.0000   15.978   11.487  ?   ?    45.139   15.525      ?      ? 
1 1 1  -32    6   79 f   67.012   14.199   35.874   12.493   0.0000   0.0000   35.874   12.493  ?   ?    67.012   14.199      ?      ? 
1 1 1  -32    7    1 o  346.920   6.5072  830.102   28.087  799.266   50.572  843.856   33.775  341.697   10.922  352.143   7.0777 -10.44635 13.01441 
1 1 1  -32    7    2 o  225.227   5.5900  334.086   15.214  371.005   29.783  321.050   17.698  233.114   9.4279  217.340   6.0089 15.77408 11.18000 
1 1 1  -32    7    3 o  234.217   6.5600  374.710   20.728  371.100   30.720  377.728   28.085  233.096   9.7252  235.337   8.8066 -2.241043 13.12005 
1 1 1  -32    7    4 o  182.299   6.4583  225.798   15.876  236.021   23.862  217.680   21.266  185.938   9.4702  178.661   8.7836 7.277328 12.91650 
1 1 1  -32    7    5 o  264.973   5.4741  472.758   18.848  459.833   23.379  496.752   31.854  260.033   6.6347  269.914   8.7088 -9.880768 10.94818 
1 1 1  -32    7    6 o  216.524   5.1945  317.013   14.707  311.365   18.437  326.897   24.390  214.010   6.3572  219.038   8.2168 -5.028336 10.38893 
1 1 1  -32    7    7 o  483.474   7.6956  1614.26   48.193  1652.76   60.330  1546.38   80.113  492.235   9.0443  474.712   12.454 17.52255 15.39123 
1 1 1  -32    7    8 o  112.264   5.4412   86.998   8.0581   91.627   10.439   80.174   12.675  116.079   6.6364  108.449   8.6248 7.630798 10.88248 
1 1 1  -32    7    9 o  234.058   5.3339  367.744   16.314  354.194   20.348  392.131   27.298  228.234   6.5790  239.882   8.3975 -11.64758 10.66774 
1 1 1  -32    7   10 o  237.821   5.3837  380.996   16.708  370.553   20.839  399.788   27.954  233.447   6.5874  242.196   8.5173 -8.749527 10.76745 
1 1 1  -32    7   11 o  193.648   5.4616  254.312   14.190  248.503   18.696  262.206   21.794  191.108   7.2193  196.188   8.1973 -5.080017 10.92315 
1 1 1  -32    7   12 o  217.844   5.0874  325.921   13.740  330.561   16.465  315.280   24.936  220.608   5.5076  215.079   8.5554 5.528320 10.17485 
1 1 1  -32    7   13 o  176.971   4.9818  213.812   10.989  215.008   13.191  211.099   19.863  177.922   5.4711  176.020   8.3272 1.901901 9.963671 
1 1 1  -32    7   14 o  166.259   5.4700  189.696   12.147  198.272   16.099  178.362   18.508  170.732   6.9583  161.786   8.4418 8.946152 10.93998 
1 1 1  -32    7   15 o  168.465   4.9965  194.704   10.515  197.377   12.672  188.793   18.842  170.471   5.4854  166.460   8.3528 4.011185 9.992969 
1 1 1  -32    7   16 f   90.338   5.7403   55.363   6.7294   54.814   8.3673   56.366   11.324   89.774   6.8778   90.902   9.1924 -1.127617 11.48060 
1 1 1  -32    7   17 o  173.720   4.9967  205.438   10.877  205.672   13.098  204.919   19.524  174.011   5.5546  173.428   8.3075 0.5824585 9.993459 
1 1 1  -32    7   18 f  157.707   5.1576  173.608   10.169  181.288   12.369  157.583   17.867  163.368   5.5869  152.046   8.6712 11.32124 10.31520 
1 1 1  -32    7   19 o  176.183   5.0004  207.262   11.096  200.902   13.318  221.696   20.063  171.968   5.7149  180.399   8.2071 -8.430481 10.00081 
1 1 1  -32    7   20 o  220.030   5.6737  328.879   16.917  328.879   16.917   0.0000   0.0000  220.030   5.6737  ?   ?       ?      ? 
1 1 1  -32    7   21 o  196.193   5.0619  252.329   12.374  238.732   14.652  286.147   23.106  187.455   5.7677  204.932   8.3202 -17.47675 10.12381 
1 1 1  -32    7   22 o  237.121   5.2094  372.815   15.278  359.368   18.057  406.694   28.663  229.988   5.7937  244.255   8.6594 -14.26746 10.41886 
1 1 1  -32    7   23 o  242.816   5.2986  396.599   15.934  389.872   18.932  412.939   29.506  239.544   5.8323  246.087   8.8479 -6.543106 10.59722 
1 1 1  -32    7   24 o  116.619   6.0585   98.697   8.8453  112.680   11.121   74.626   14.592  128.744   6.3746  104.494   10.305 24.24974 12.11710 
1 1 1  -32    7   25 o  492.020   7.4328  1649.47   43.722  1643.06   50.963  1667.37   85.097  491.254   7.6553  492.787   12.743 -1.533295 14.86564 
1 1 1  -32    7   26 o  236.432   5.3702  377.173   15.801  372.088   18.858  389.158   28.950  233.998   5.9470  238.866   8.9437 -4.867722 10.74036 
1 1 1  -32    7   27 o  285.292   6.0621  554.726   22.787  554.284   29.013  555.438   36.813  285.347   7.5029  285.236   9.5239 0.1102295 12.12428 
1 1 1  -32    7   28 o  190.723   6.5575  248.370   16.845  247.139   25.216  249.363   22.637  190.219   9.7822  191.228   8.7356 -1.008804 13.11501 
1 1 1  -32    7   29 o  246.982   9.8745  416.732   33.049  416.732   33.049   0.0000   0.0000  246.982   9.8745  ?   ?       ?      ? 
1 1 1  -32    7   30 o  217.863   6.6386  322.815   19.599   0.0000   0.0000  322.815   19.599  ?   ?   217.863   6.6386      ?      ? 
1 1 1  -32    7   31 o  358.748   6.8240  879.404   30.909  878.059   54.703  880.035   37.463  358.023   11.275  359.473   7.6905 -1.449493 13.64803 
1 1 1  -32    7   32 o  227.114   7.0998  351.694   21.822  376.146   31.740  329.773   30.052  234.593   9.9840  219.635   10.097 14.95772 14.19952 
1 1 1  -32    7   33 o  216.441   6.1448  323.693   17.091  333.272   21.234  306.069   28.802  221.289   7.0808  211.592   10.045 9.696777 12.28962 
1 1 1  -32    7   34 o  174.188   4.9381  206.295   11.624  209.008   17.134  203.981   15.822  175.223   7.2159  173.154   6.7431 2.068741 9.876143 
1 1 1  -32    7   35 o  388.626   5.7448  1029.57   30.244  1026.62   43.304  1032.39   42.259  388.050   8.2348  389.202   8.0123 -1.152374 11.48952 
1 1 1  -32    7   36 o  134.184   6.7590  121.905   11.562  119.755   14.075  126.367   20.273  132.567   7.8348  135.801   11.016 -3.234451 13.51797 
1 1 1  -32    7   37 o  525.801   8.5451  1899.30   57.304  1899.58   70.119  1898.72   99.435  527.082   9.8170  524.520   13.989 2.561890 17.09018 
1 1 1  -32    7   38 o  242.786   5.0029  401.771   16.433  375.284   23.243  428.241   23.235  234.738   7.3068  250.835   6.8357 -16.09634 10.00578 
1 1 1  -32    7   39 o  301.932   5.2422  621.243   21.436  615.017   30.764  627.119   29.886  300.429   7.5563  303.435   7.2681 -3.005463 10.48445 
1 1 1  -32    7   40 o  276.995   5.1321  522.009   19.241  535.035   28.042  510.422   26.448  280.230   7.3844  273.760   7.1292 6.470093 10.26427 
1 1 1  -32    7   41 o  165.779   5.1157  188.314   11.424  172.905   16.619  202.116   15.729  159.253   7.7007  172.305   6.7364 -13.05205 10.23134 
1 1 1  -32    7   42 o  108.290   5.9655   80.053   8.6947   80.162   13.083   79.967   11.636  108.308   8.9136  108.272   7.9308 0.3638458E-01 11.93107 
1 1 1  -32    7   43 o  286.493   5.1975  559.228   20.159  564.795   29.224  554.175   27.843  287.819   7.4927  285.167   7.2051 2.652374 10.39490 
1 1 1  -32    7   44 o  225.294   5.9103  346.282   17.581  344.921   22.449  348.442   28.274  224.923   7.3650  225.666   9.2458 -0.7427521 11.82067 
1 1 1  -32    7   45 o  272.302   7.2045  508.246   26.490  513.113   39.230  504.166   35.915  273.366   10.590  271.238   9.7710 2.127380 14.40896 
1 1 1  -32    7   46 o  255.095   7.2325  444.620   24.813  462.697   37.777  430.902   32.907  259.466   10.744  250.725   9.6853 8.741211 14.46501 
1 1 1  -32    7   47 o  429.515   8.6694  1273.72   50.399  1287.39   73.259  1261.44   69.445  431.520   12.528  427.509   11.987 4.010620 17.33887 
1 1 1  -32    7   48 o   94.016   7.5710   60.056   9.5652   55.185   12.576   66.741   14.734   89.597   10.357   98.435   11.045 -8.838417 15.14196 
1 1 1  -32    7   49 o  128.587   5.7091  113.565   9.8835  108.112   14.626  118.146   13.408  125.657   8.5896  131.518   7.5229 -5.861443 11.41818 
1 1 1  -32    7   50 o  300.521   5.3285  616.930   21.687  623.036   31.293  611.286   30.082  301.913   7.6486  299.129   7.4211 2.784119 10.65708 
1 1 1  -32    7   51 o  128.069   5.7091  112.957   9.8430  104.169   14.393  120.679   13.491  123.271   8.6158  132.868   7.4929 -9.597084 11.41821 
1 1 1  -32    7   52 o  219.525   6.4624  333.529   18.075  338.517   22.182  323.671   31.184  222.517   7.3561  216.533   10.627 5.984222 12.92486 
1 1 1  -32    7   53 o  166.390   6.7554  188.997   14.311  185.955   17.413  195.327   25.118  164.784   7.7978  167.995   11.034 -3.211456 13.51087 
1 1 1  -32    7   54 o  408.643   6.0583  1146.52   33.533  1160.27   48.281  1133.70   46.610  410.942   8.6699  406.343   8.4645 4.599457 12.11669 
1 1 1  -32    7   55 f  156.223   6.9878  172.741   13.323  158.538   24.412  178.767   15.899  150.854   11.941  161.591   7.2608 -10.73674 13.97555 
1 1 1  -32    7   56 o  198.606   6.6250  274.810   16.106  265.845   29.800  278.509   19.142  195.504   11.248  201.708   7.0030 -6.203690 13.25004 
1 1 1  -32    7   57 o  116.435   5.9240   92.729   9.3126   99.884   13.922   86.934   12.528  120.443   8.5295  112.428   8.2232 8.015015 11.84795 
1 1 1  -32    7   58 o  171.889   5.2347  203.741   12.134  186.653   17.497  219.576   16.843  164.780   7.8356  178.999   6.9437 -14.21857 10.46950 
1 1 1  -32    7   59 o  169.508   5.2860  198.491   12.071  183.956   17.615  211.358   16.574  163.472   7.9517  175.545   6.9670 -12.07320 10.57206 
1 1 1  -32    7   60 o   69.728   8.2335   34.984   7.4706   32.256   11.335   37.079   9.9336   66.465   13.050   72.991   10.043 -6.525490 16.46704 
1 1 1  -32    7   61 o  156.965   6.4036  171.134   12.735  170.101   22.323  171.633   15.506  155.962   10.562  157.969   7.2433 -2.006851 12.80718 
1 1 1  -32    7   62 o  107.778   7.2266   81.647   9.8910   79.965   17.177   82.482   12.098  106.339   11.920  109.216   8.1742 -2.877602 14.45317 
1 1 1  -32    7   63 o   66.122   8.5880   32.869   7.3083   22.755   10.768   41.509   9.9517   55.114   14.296   77.131   9.5211 -22.01670 17.17600 
1 1 1  -32    7   64 o   80.590   7.0515   45.394   7.6756   47.309   11.411   43.811   10.373   82.057   10.262   79.122   9.6745 2.934967 14.10301 
1 1 1  -32    7   65 o  194.742   5.1045  261.446   13.455  273.119   19.624  251.091   18.483  198.801   7.2844  190.682   7.1528 8.118698 10.20909 
1 1 1  -32    7   66 o   82.404   7.9742   45.942   8.6769   35.883   10.980   62.666   14.159   70.941   11.422   93.867   11.131 -22.92595 15.94847 
1 1 1  -32    7   67 o  114.178   8.2918   90.935   12.830   90.935   12.830   0.0000   0.0000  114.178   8.2918  ?   ?       ?      ? 
1 1 1  -32    7   68 o   70.761   9.0483   37.643   8.2163   40.197   10.626   33.848   12.956   75.173   10.431   66.349   14.788 8.824333 18.09665 
1 1 1  -32    7   69 o  105.446   6.8957   77.653   9.6188   73.579   12.209   84.321   15.619  102.286   8.8077  108.605   10.613 -6.318970 13.79142 
1 1 1  -32    7   70 f   99.995   7.3314   73.105   9.5808   79.046   12.394   64.283   15.103  105.971   8.6304   94.019   11.854 11.95219 14.66280 
1 1 1  -32    7   71 o  180.574   6.0751  226.890   14.424  217.606   18.160  242.755   23.740  176.412   7.5963  184.736   9.4829 -8.324448 12.15028 
1 1 1  -32    7   72 f  135.247   6.3862  127.846   11.452  120.542   14.586  139.585   18.491  130.813   8.2282  139.680   9.7688 -8.867477 12.77233 
1 1 1  -32    7   73 o   94.667   8.9945   64.855   11.354   83.179   17.725   52.103   14.786  105.932   12.347   83.402   13.083 22.53022 17.98901 
1 1 1  -32    7   74 o  126.994   10.478  117.020   18.032   0.0000   0.0000  117.020   18.032  ?   ?   126.994   10.478      ?      ? 
1 1 1  -32    7   75 o  113.562   10.663   94.082   16.410   0.0000   0.0000   94.082   16.410  ?   ?   113.562   10.663      ?      ? 
1 1 1  -32    7   76 o   64.593   14.766   33.551   12.643   0.0000   0.0000   33.551   12.643  ?   ?    64.593   14.766      ?      ? 
1 1 1  -32    7   77 o   62.785   14.884   31.983   12.470   0.0000   0.0000   31.983   12.470  ?   ?    62.785   14.884      ?      ? 
1 1 1  -32    7   78 o  101.341   11.373   76.417   15.619   0.0000   0.0000   76.417   15.619  ?   ?   101.341   11.373      ?      ? 
1 1 1  -32    8    1 o  177.849   5.0677  212.337   12.122  190.613   15.999  241.620   18.574  167.331   7.0554  188.366   7.2766 -21.03476 10.13546 
1 1 1  -32    8    2 o  146.057   4.5100  146.524   8.6337  139.248   13.940  151.051   10.997  143.011   7.1929  149.103   5.4425 -6.091309 9.019901 
1 1 1  -32    8    3 o  226.596   4.5606  349.590   13.842  346.910   21.208  351.578   18.271  225.772   6.9318  227.421   5.9286 -1.649185 9.121274 
1 1 1  -32    8    4 o  325.730   5.6489  724.748   22.374  726.878   26.385  719.295   42.216  327.003   5.9542  324.456   9.6014 2.547394 11.29776 
1 1 1  -32    8    5 o  285.696   5.6765  554.659   21.977  554.659   21.977   0.0000   0.0000  285.696   5.6765  ?   ?       ?      ? 
1 1 1  -32    8    6 o  401.098   6.6086  1094.34   35.920  1094.34   35.920   0.0000   0.0000  401.098   6.6086  ?   ?       ?      ? 
1 1 1  -32    8    7 o   62.219   7.5190   30.264   5.5591   36.805   6.9320   18.477   9.3055   73.544   6.9556   50.895   13.333 22.64898 15.03799 
1 1 1  -32    8    8 o  399.145   6.3565  1081.32   30.521  1074.48   35.677  1099.99   58.942  397.451   6.6240  400.839   10.851 -3.388977 12.71307 
1 1 1  -32    8    9 o  195.305   4.8384  255.798   11.799  250.146   14.089  269.070   21.591  191.894   5.4178  198.716   8.0178 -6.822067 9.676702 
1 1 1  -32    8   10 o  116.705   5.0681   92.095   7.5847   90.854   9.2960   94.565   13.118  115.619   5.9331  117.790   8.2182 -2.171692 10.13616 
1 1 1  -32    8   11 o  177.551   4.9305  216.966   10.955  221.095   13.239  207.998   19.510  180.410   5.4150  174.692   8.2412 5.717697 9.861057 
1 1 1  -32    8   12 o  345.840   5.8932  811.498   24.690  806.848   28.984  823.794   47.135  344.504   6.2084  347.176   10.019 -2.671936 11.78630 
1 1 1  -32    8   13 o  133.023   4.9674  116.227   8.4055  108.957   10.115  132.449   15.109  126.619   5.8953  139.428   7.9965 -12.80882 9.934723 
1 1 1  -32    8   14 o  225.888   5.0147  335.867   14.022  320.437   16.548  375.147   26.403  217.171   5.6229  234.604   8.3050 -17.43222 10.02949 
1 1 1  -32    8   15 o  210.133   5.4825  297.254   15.355  282.616   19.783  319.438   24.354  203.781   7.1637  216.486   8.3014 -12.70543 10.96501 
1 1 1  -32    8   16 o  195.600   4.9707  253.794   12.140  244.092   14.445  277.130   22.403  189.544   5.6236  201.656   8.1980 -12.11198 9.941418 
1 1 1  -32    8   17 o  209.490   5.3871  297.087   14.952  290.711   19.130  307.100   23.971  206.720   6.8287  212.259   8.3337 -5.539230 10.77413 
1 1 1  -32    8   18 o  229.545   5.4876  356.880   16.648  350.071   21.214  367.797   26.860  226.835   6.9012  232.255   8.5340 -5.420410 10.97526 
1 1 1  -32    8   19 o  138.771   5.5643  131.555   10.362  134.014   13.801  128.377   15.688  140.317   7.2578  137.225   8.4361 3.091873 11.12852 
1 1 1  -32    8   20 o  353.362   7.8427  850.560   37.555  850.560   37.555   0.0000   0.0000  353.362   7.8427  ?   ?       ?      ? 
1 1 1  -32    8   21 o  182.152   7.0573  225.788   17.420  225.788   17.420   0.0000   0.0000  182.152   7.0573  ?   ?       ?      ? 
1 1 1  -32    8   22 o  115.882   6.0411   91.997   9.4196   95.812   12.754   87.418   13.972  118.588   7.9361  113.176   9.1102 5.412407 12.08212 
1 1 1  -32    8   23 o  193.905   5.0698  247.639   12.354  234.831   14.736  277.932   22.662  185.887   5.8499  201.924   8.2818 -16.03690 10.13951 
1 1 1  -32    8   24 o  410.765   6.5867  1143.71   32.593  1133.96   38.111  1170.25   62.887  408.239   6.8889  413.291   11.229 -5.052490 13.17342 
1 1 1  -32    8   25 o   63.467   8.6342   32.312   6.9564   44.310   8.9771   14.279   11.006   80.625   8.2164   46.309   15.188 34.31617 17.26842 
1 1 1  -32    8   26 o  414.993   6.6416  1166.41   33.161  1155.12   38.736  1197.39   64.160  412.004   6.9379  417.982   11.327 -5.977295 13.28315 
1 1 1  -32    8   27 o  297.252   5.7241  608.681   20.946  617.994   24.983  586.647   38.429  301.496   6.1149  293.008   9.6783 8.488556 11.44819 
1 1 1  -32    8   28 o  333.377   5.9417  754.075   24.140  749.168   28.441  766.719   45.655  331.911   6.3232  334.844   10.061 -2.933075 11.88338 
1 1 1  -32    8   29 o  236.133   5.2750  370.500   15.470  357.368   18.344  402.847   28.790  229.289   5.9037  242.977   8.7436 -13.68781 10.55008 
1 1 1  -32    8   30 o  152.600   5.9176  160.669   12.078  174.360   16.296  143.984   17.990  159.993   7.5161  145.208   9.1424 14.78561 11.83529 
1 1 1  -32    8   31 o  188.385   6.1702  246.836   14.334  230.784   26.001  253.845   17.181  183.607   10.450  193.162   6.5637 -9.555771 12.34048 
1 1 1  -32    8   32 o  200.262   4.8421  273.474   13.103  265.301   19.101  280.739   18.008  197.392   7.1407  203.133   6.5417 -5.741776 9.684175 
1 1 1  -32    8   33 o   88.748   6.4613   54.963   7.5968   46.123   11.386   62.056   10.199   82.085   10.236   95.410   7.8882 -13.32511 12.92253 
1 1 1  -32    8   34 o  306.956   5.2327  640.703   21.728  661.266   31.868  622.840   29.702  311.516   7.5491  302.397   7.2482 9.119781 10.46546 
1 1 1  -32    8   35 o  334.924   5.3911  762.672   24.424  794.531   35.876  735.153   33.343  341.393   7.7548  328.455   7.4912 12.93774 10.78218 
1 1 1  -32    8   36 o  278.472   6.4656  537.901   23.106  556.049   28.704  504.491   38.947  285.655   7.4151  271.288   10.594 14.36728 12.93110 
1 1 1  -32    8   37 o  205.918   6.3056  289.926   16.781  290.372   20.826  289.099   28.336  206.406   7.4457  205.430   10.179 0.9761810 12.61122 
1 1 1  -32    8   38 o  292.443   7.5584  586.431   29.940  562.105   41.894  611.827   42.805  286.209   10.801  298.677   10.576 -12.46796 15.11677 
1 1 1  -32    8   39 o  164.074   7.7256  183.626   17.177  183.626   17.177   0.0000   0.0000  164.074   7.7256  ?   ?       ?      ? 
1 1 1  -32    8   40 f  288.220   7.2542  565.599   28.200  611.668   42.469  529.267   37.715  298.560   10.497  277.879   10.015 20.68066 14.50841 
1 1 1  -32    8   41 o  191.505   6.1680  245.216   14.757  265.064   27.130  236.877   17.586  196.574   10.185  186.437   6.9607 10.13644 12.33606 
1 1 1  -32    8   42 o  258.414   6.0228  456.491   20.422  456.403   25.844  456.638   33.324  258.668   7.3729  258.159   9.5255 0.5096130 12.04556 
1 1 1  -32    8   43 f  265.962   6.0701  484.837   21.210  488.068   26.940  479.570   34.402  267.442   7.4335  264.483   9.5984 2.959290 12.14024 
1 1 1  -32    8   44 o  154.710   5.9985  160.125   12.382  144.412   15.905  184.295   19.727  145.359   8.0746  164.062   8.8728 -18.70303 11.99691 
1 1 1  -32    8   45 o  329.136   5.4469  739.854   24.275  745.731   35.106  734.469   33.603  330.339   7.8422  327.933   7.5615 2.405884 10.89386 
1 1 1  -32    8   46 o  242.289   6.4035  417.869   19.482  358.834   33.347  448.457   24.004  228.201   10.784  256.376   6.9091 -28.17459 12.80702 
1 1 1  -32    8   47 o  264.403   5.2101  478.097   18.629  469.273   27.093  486.009   25.656  262.008   7.6306  266.798   7.0960 -4.789886 10.42016 
1 1 1  -32    8   48 o  131.979   5.5993  118.497   9.9568  125.590   15.065  112.996   13.267  135.416   8.2097  128.543   7.6165 6.873535 11.19868 
1 1 1  -32    8   49 o  251.028   5.1446  430.549   17.466  434.202   25.564  427.351   23.919  251.961   7.4872  250.095   7.0575 1.865524 10.28912 
1 1 1  -32    8   50 o   90.908   6.6302   56.479   8.1247   60.532   12.274   53.318   10.839   93.748   9.6617   88.068   9.0824 5.680801 13.26039 
1 1 1  -32    8   51 f   49.374   9.5553   18.003   7.1703   7.2720   10.928   26.115   9.5014   38.477   14.829   60.271   12.054 -21.79357 19.11051 
1 1 1  -32    8   52 o  101.994   10.548   75.902   13.550   50.051   18.882  103.347   19.456   82.137   17.500  121.852   11.783 -39.71432 21.09677 
1 1 1  -32    8   53 o  144.468   6.8431  138.326   12.104  157.991   23.293  131.052   14.167  150.680   11.408  138.256   7.5618 12.42360 13.68629 
1 1 1  -32    8   54 o  121.273   5.7823  101.529   9.4317   97.275   14.050  105.018   12.725  118.830   8.7253  123.716   7.5900 -4.886414 11.56458 
1 1 1  -32    8   55 o   84.478   7.0465   48.943   8.0091   53.862   12.252   45.272   10.584   88.087   10.263   80.869   9.6578 7.218475 14.09295 
1 1 1  -32    8   56 o  131.794   5.6181  120.319   9.9526  111.557   14.695  127.746   13.528  127.178   8.5263  136.410   7.3181 -9.232231 11.23619 
1 1 1  -32    8   57 f  102.459   6.4241   74.845   8.6284   56.402   12.656   90.862   11.794   89.977   10.380  114.942   7.5721 -24.96490 12.84815 
1 1 1  -32    8   58 o   60.670   8.5354   28.869   7.3403   6.7536   10.650   48.881   10.131   37.326   14.568   84.015   8.8982 -46.68933 17.07070 
1 1 1  -32    8   59 o   72.356   8.0108   37.927   7.5146   31.730   11.032   43.291   10.264   65.851   12.824   78.861   9.6044 -13.00986 16.02156 
1 1 1  -32    8   60 o  126.569   5.6455  111.660   9.5690   92.966   13.603  129.972   13.463  115.769   8.6707  137.370   7.2324 -21.60122 11.29108 
1 1 1  -32    8   61 o   98.968   7.3003   67.398   9.2550   72.929   16.191   64.714   11.279  101.406   11.783   96.529   8.6226 4.876663 14.60055 
1 1 1  -32    8   62 o   84.295   6.8515   50.333   7.7282   43.598   11.279   56.294   10.610   78.653   10.582   89.936   8.7059 -11.28354 13.70298 
1 1 1  -32    8   63 o   54.044   9.3801   22.134   6.8355   19.109   10.202   24.598   9.2083   50.403   14.283   57.685   12.163 -7.281708 18.76026 
1 1 1  -32    8   64 o  134.277   6.2969  125.307   11.164  122.597   14.207  129.681   18.049  132.841   7.8922  135.712   9.8141 -2.870926 12.59379 
1 1 1  -32    8   65 o   51.438   10.175   20.443   7.4159   22.907   9.7369   17.039   11.444   55.086   13.213   47.789   15.478 7.296684 20.35070 
1 1 1  -32    8   66 o   91.557   9.3955   59.113   11.657   59.113   11.657   0.0000   0.0000   91.557   9.3955  ?   ?       ?      ? 
1 1 1  -32    8   67 o   64.308   11.978   30.764   10.054   30.764   10.054   0.0000   0.0000   64.308   11.978  ?   ?       ?      ? 
1 1 1  -32    8   68 o   61.364   9.5714   27.825   7.6322   23.280   9.7608   34.977   12.244   55.150   13.230   67.578   13.835 -12.42857 19.14287 
1 1 1  -32    8   69 o   35.556   9.5136   4.7832   6.7202  -2.1798   8.7481   14.808   10.497   26.677   11.902   44.434   14.845 -17.75783 19.02728 
1 1 1  -32    8   70 o   93.136   8.9973   63.865   11.206   67.331   17.463   61.439   14.611   94.689   13.609   91.584   11.773 3.104858 17.99454 
1 1 1  -32    8   71 o   51.349   11.190   21.509   9.1990   11.056   14.287   28.912   12.023   42.383   16.772   60.314   14.817 -17.93084 22.37917 
1 1 1  -32    8   72 o   81.494   10.095   52.686   10.567   43.088   15.949   60.196   14.109   72.505   16.591   90.483   11.506 -17.97821 20.19060 
1 1 1  -32    8   73 o   47.459   11.632   17.562   9.0648   19.860   13.791   15.814   12.028   49.606   17.013   45.313   15.868 4.293118 23.26483 
1 1 1  -32    8   74 o   49.677   16.248   20.102   12.598   0.0000   0.0000   20.102   12.598  ?   ?    49.677   16.248      ?      ? 
1 1 1  -32    8   75 o   79.844   12.997   48.489   14.063   0.0000   0.0000   48.489   14.063  ?   ?    79.844   12.997      ?      ? 
1 1 1  -32    8   76 o  107.757   11.223   86.136   16.388   0.0000   0.0000   86.136   16.388  ?   ?   107.757   11.223      ?      ? 
1 1 1  -32    8   77 o   75.245   14.058   45.107   13.808   0.0000   0.0000   45.107   13.808  ?   ?    75.245   14.058      ?      ? 
1 1 1  -32    8   78 o   33.083   14.068   3.5249   11.028   0.0000   0.0000   3.5249   11.028  ?   ?    33.083   14.068      ?      ? 
1 1 1  -32    9    1 o  115.263   4.6323   92.376   6.6744   85.297   11.786   95.718   8.0980  111.834   7.7772  118.693   5.0346 -6.859085 9.264562 
1 1 1  -32    9    2 f   81.630   5.4069   46.997   5.3093   41.960   9.9053   49.028   6.2890   78.331   9.3315   84.929   5.4644 -6.597809 10.81373 
1 1 1  -32    9    3 o   51.882   7.9685   18.021   5.2308   23.526   9.0663   15.274   6.4041   57.450   12.031   46.314   10.452 11.13583 15.93704 
1 1 1  -32    9    4 o  154.185   4.4210  154.158   8.6952  140.852   10.451  184.074   15.672  143.967   5.3571  164.404   7.0343 -20.43709 8.841920 
1 1 1  -32    9    5 o  228.714   4.8673  354.453   13.838  351.910   16.526  360.419   25.314  227.564   5.3590  229.863   8.1267 -2.298584 9.734523 
1 1 1  -32    9    6 o  165.233   4.6658  187.597   9.7741  191.025   11.943  180.642   17.010  167.673   5.2559  162.792   7.7106 4.881256 9.331520 
1 1 1  -32    9    7 o  215.911   5.3622  316.772   15.689  316.772   15.689   0.0000   0.0000  215.911   5.3622  ?   ?       ?      ? 
1 1 1  -32    9    8 o  115.406   5.0992   95.002   7.4621  105.388   9.3801   77.099   12.315  124.525   5.5586  106.288   8.5503 18.23702 10.19833 
1 1 1  -32    9    9 o  123.971   5.0153  107.622   7.9467  114.586   9.9194   95.144   13.278  129.841   5.6375  118.100   8.2964 11.74076 10.03054 
1 1 1  -32    9   10 o  173.703   4.8745  210.127   10.685  219.232   13.093  191.972   18.487  179.624   5.3787  167.782   8.1310 11.84111 9.749050 
1 1 1  -32    9   11 o  159.450   4.8077  173.046   9.7490  173.060   11.890  173.018   17.031  159.583   5.4980  159.317   7.8885 0.2657166 9.615384 
1 1 1  -32    9   12 o  282.207   5.2928  523.933   18.256  501.049   21.369  585.778   35.129  271.492   5.8082  292.923   8.8497 -21.43069 10.58552 
1 1 1  -32    9   13 o  220.273   4.9312  317.166   13.544  298.462   16.032  363.799   25.314  209.557   5.6454  230.989   8.0869 -21.43181 9.862483 
1 1 1  -32    9   14 o  302.006   5.5070  604.747   20.298  583.964   23.783  660.491   38.950  293.069   5.9885  310.944   9.2436 -17.87479 11.01393 
1 1 1  -32    9   15 o  301.925   6.0312  616.979   24.025  600.791   30.477  643.548   39.045  296.957   7.5734  306.892   9.3885 -9.935059 12.06236 
1 1 1  -32    9   16 o  124.482   5.8736  105.890   9.8691  108.185   13.460  103.221   14.513  125.984   7.8841  122.980   8.7085 3.004440 11.74722 
1 1 1  -32    9   17 o  301.345   5.5875  612.157   20.566  603.406   24.219  634.782   38.941  297.906   5.9991  304.784   9.4282 -6.877563 11.17499 
1 1 1  -32    9   18 o  303.717   5.6719  635.821   21.203  645.860   25.291  612.075   38.897  308.198   6.0556  299.237   9.5923 8.960785 11.34381 
1 1 1  -32    9   19 o  204.682   5.2186  291.521   13.407  302.632   16.330  268.546   23.483  211.008   5.7110  198.355   8.7362 12.65376 10.43727 
1 1 1  -32    9   20 o  286.678   5.4690  539.174   19.110  514.112   22.315  608.111   37.009  274.980   5.9884  298.376   9.1530 -23.39618 10.93794 
1 1 1  -32    9   21 o  160.124   5.8944  174.313   12.790  174.313   12.790   0.0000   0.0000  160.124   5.8944  ?   ?       ?      ? 
1 1 1  -32    9   22 o  186.010   5.0798  233.223   11.946  229.076   14.428  242.262   21.302  183.570   5.7999  188.450   8.3414 -4.880280 10.15964 
1 1 1  -32    9   23 o  139.824   5.1794  131.004   9.3694  126.173   11.537  140.364   16.058  136.199   6.2507  143.450   8.2604 -7.250809 10.35883 
1 1 1  -32    9   24 o  121.149   5.3958   98.027   8.5052   93.244   10.522  107.043   14.447  117.055   6.6330  125.242   8.5124 -8.187050 10.79156 
1 1 1  -32    9   25 o  211.894   5.1916  304.866   13.821  303.216   16.653  308.518   24.775  211.187   5.8189  212.601   8.5994 -1.414185 10.38315 
1 1 1  -32    9   26 o  160.315   5.4691  183.457   11.021  200.945   13.682  151.146   18.597  171.913   5.8729  148.718   9.2280 23.19481 10.93829 
1 1 1  -32    9   27 o  225.471   5.3517  352.133   15.047  361.494   18.174  331.731   26.832  230.582   5.8163  220.361   8.9853 10.22142 10.70349 
1 1 1  -32    9   28 o  146.289   5.5046  149.385   10.210  156.494   12.582  135.676   17.472  151.681   6.1212  140.897   9.1505 10.78398 11.00913 
1 1 1  -32    9   29 o   75.335   7.1248   38.054   7.0987   35.395   8.9731   42.502   11.605   71.958   9.2020   78.713   10.880 -6.755463 14.24954 
1 1 1  -32    9   30 o   80.178   7.8926   44.187   8.5484   48.564   12.163   39.915   12.017   84.152   10.666   76.205   11.637 7.946892 15.78519 
1 1 1  -32    9   31 f  108.895   6.7624   81.406   9.9442   85.679   13.753   76.725   14.395  111.953   9.0654  105.836   10.037 6.116295 13.52477 
1 1 1  -32    9   32 o  112.378   6.0603   86.432   8.8220   86.849   10.987   85.676   14.801  112.894   7.1817  111.861   9.7638 1.033630 12.12062 
1 1 1  -32    9   33 o  263.328   5.6230  477.906   18.344  485.111   21.979  461.367   33.300  267.019   6.0741  259.636   9.4645 7.383301 11.24592 
1 1 1  -32    9   34 o  101.253   6.1021   70.440   8.2973   66.871   12.414   73.323   11.155   98.856   9.2667  103.650   7.9418 -4.794212 12.20427 
1 1 1  -32    9   35 o  220.697   6.8239  336.090   20.238  308.906   29.819  359.306   27.557  212.176   10.371  229.217   8.8716 -17.04091 13.64772 
1 1 1  -32    9   36 o  137.647   7.9243  130.440   14.761  138.198   20.880  122.689   20.871  141.804   10.866  133.491   11.538 8.313309 15.84856 
1 1 1  -32    9   37 f  387.759   8.3046  1027.53   43.638  1027.53   43.638   0.0000   0.0000  387.759   8.3046  ?   ?       ?      ? 
1 1 1  -32    9   38 o  146.810   5.9802  143.473   11.722  125.078   15.084  171.521   18.626  135.280   8.2280  158.340   8.6805 -23.05983 11.96039 
1 1 1  -32    9   39 o  321.314   6.4505  714.732   27.162  738.684   34.631  676.441   43.787  328.865   7.7708  313.762   10.298 15.10294 12.90103 
1 1 1  -32    9   40 o  173.664   5.1234  206.350   11.998  199.941   17.710  211.788   16.312  171.096   7.6381  176.232   6.8304 -5.136169 10.24672 
1 1 1  -32    9   41 o  103.321   6.0814   72.874   8.4493   74.849   12.840   71.365   11.222  104.492   9.0674  102.150   8.1065 2.342072 12.16277 
1 1 1  -32    9   42 o  159.069   5.1106  172.293   10.985  178.844   16.274  166.810   14.889  161.806   7.4218  156.333   7.0279 5.473038 10.22128 
1 1 1  -32    9   43 o  134.304   5.4521  123.608   9.8745  120.342   14.592  126.366   13.412  132.597   8.1210  136.010   7.2766 -3.413330 10.90411 
1 1 1  -32    9   44 o  227.620   6.2895  358.028   17.890  348.888   32.039  362.169   21.566  224.927   10.511  230.313   6.9098 -5.385941 12.57898 
1 1 1  -32    9   45 f   89.558   9.9332   56.642   11.723   65.385   17.098   48.886   16.103   96.864   13.026   82.251   15.000 14.61322 19.86642 
1 1 1  -32    9   46 o   81.507   10.600   47.875   11.304   61.287   16.283   35.396   15.707   93.765   12.815   69.250   16.889 24.51490 21.19987 
1 1 1  -32    9   47 o   95.389   6.4957   62.378   8.3500   64.729   12.580   60.526   11.164   96.927   9.5773   93.851   8.7780 3.075523 12.99147 
1 1 1  -32    9   48 o  128.300   7.2385  117.835   11.208  104.481   20.701  123.373   13.331  122.354   12.485  134.245   7.3280 -11.89123 14.47691 
1 1 1  -32    9   49 o   63.260   10.710   30.558   8.4013   23.806   16.734   32.833   9.7143   57.660   18.720   68.860   10.410 -11.19984 21.41966 
1 1 1  -32    9   50 o   97.641   6.3480   65.532   8.3440   67.191   12.608   64.240   11.130   98.652   9.4309   96.630   8.4998 2.022255 12.69599 
1 1 1  -32    9   51 o   41.653   11.087   9.5985   8.2689   9.2955   10.348   10.134   13.754   39.758   14.619   43.549   16.673 -3.791161 22.17455 
1 1 1  -32    9   52 o  201.935   6.4721  288.825   16.696  305.329   20.805  258.967   27.983  210.964   7.2775  192.906   10.705 18.05762 12.94417 
1 1 1  -32    9   53 o  126.471   5.5602  110.362   9.4860  106.217   13.936  113.941   12.949  124.147   8.2838  128.796   7.4189 -4.649384 11.12032 
1 1 1  -32    9   54 o  107.734   5.9633   80.808   8.6244   72.936   12.665   87.613   11.776  102.636   9.1063  112.834   7.7018 -10.19788 11.92656 
1 1 1  -32    9   55 f   89.148   6.7346   56.400   7.9481   46.926   11.866   64.111   10.704   81.924   10.688   96.373   8.1963 -14.44835 13.46917 
1 1 1  -32    9   56 o   49.847   9.5579   18.531   6.6515   15.779   10.029   20.692   8.8877   46.658   14.410   53.035   12.560 -6.377235 19.11582 
1 1 1  -32    9   57 o  132.998   5.5067  123.643   9.7835  102.744   14.088  143.110   13.597  121.756   8.5384  144.240   6.9563 -22.48395 11.01333 
1 1 1  -32    9   58 o   81.763   6.9339   47.687   7.5151   39.244   11.099   54.834   10.212   74.623   10.976   88.903   8.4766 -14.28002 13.86787 
1 1 1  -32    9   59 o   91.052   6.3973   57.839   7.8451   57.401   11.730   58.193   10.552   90.593   9.5549   91.511   8.5092 -0.9188232 12.79467 
1 1 1  -32    9   60 o   94.553   7.7025   62.840   8.9777   64.310   16.598   62.231   10.674   94.492   12.962   94.614   8.3250 -0.1220627 15.40501 
1 1 1  -32    9   61 o   92.350   7.2015   57.968   8.8370   45.923   11.374   76.312   14.036   80.605   10.413  104.094   9.9505 -23.48946 14.40292 
1 1 1  -32    9   62 o   96.870   7.1216   66.214   9.1828   65.807   11.917   66.808   14.407   96.878   9.0774   96.862   10.976 0.1644135E-01 14.24327 
1 1 1  -32    9   63 o   93.794   7.1816   61.833   9.0183   59.053   11.769   65.788   14.037   91.526   9.4887   96.062   10.783 -4.536568 14.36317 
1 1 1  -32    9   64 o   69.699   8.8313   35.515   8.0633   33.880   10.543   37.819   12.516   68.643   11.334   70.754   13.547 -2.111259 17.66266 
1 1 1  -32    9   65 f  138.821   7.8459  134.643   14.760  134.643   14.760   0.0000   0.0000  138.821   7.8459  ?   ?       ?      ? 
1 1 1  -32    9   66 o  125.158   8.1008  109.871   13.740  109.871   13.740   0.0000   0.0000  125.158   8.1008  ?   ?       ?      ? 
1 1 1  -32    9   67 o   48.090   9.8860   15.639   7.2230   7.2738   9.2320   28.840   11.598   35.411   13.635   60.768   14.319 -25.35691 19.77202 
1 1 1  -32    9   68 o   40.810   11.113   10.577   8.5823   10.420   13.441   10.686   11.152   41.441   16.309   40.180   15.099 1.260487 22.22509 
1 1 1  -32    9   69 o   81.315   10.475   57.324   10.696   27.462   16.265   80.076   14.197   57.108   18.447  105.522   9.9282 -48.41322 20.94916 
1 1 1  -32    9   70 o  118.461   8.3081  106.438   12.869   84.528   19.309  123.946   17.261  105.624   13.490  131.297   9.7014 -25.67315 16.61616 
1 1 1  -32    9   71 o   74.010   10.653   46.078   10.313   30.194   15.803   57.859   13.610   59.381   18.044   88.640   11.330 -29.25916 21.30642 
1 1 1  -32    9   72 o   53.379   15.657   23.385   12.063   0.0000   0.0000   23.385   12.063  ?   ?    53.379   15.657      ?      ? 
1 1 1  -32    9   74 o   82.778   12.824   52.194   14.385   0.0000   0.0000   52.194   14.385  ?   ?    82.778   12.824      ?      ? 
1 1 1  -32    9   75 f   24.155   11.562 -11.8936   10.760   0.0000   0.0000 -11.8936   10.760  ?   ?    24.155   11.562      ?      ? 
1 1 1  -32    9   76 o   37.500   15.096   8.3023   11.774   0.0000   0.0000   8.3023   11.774  ?   ?    37.500   15.096      ?      ? 
1 1 1  -32    9   77 o   38.265   15.320   9.1866   12.056   0.0000   0.0000   9.1866   12.056  ?   ?    38.265   15.320      ?      ? 
1 1 1  -32   10    1 o  342.207   5.1813  799.852   23.885  791.000   35.672  807.047   32.157  340.353   7.7341  344.060   6.8969 -3.707092 10.36264 
1 1 1  -32   10    2 o  137.853   4.4756  125.096   7.9271  142.875   13.965  116.644   9.6288  144.745   7.1195  130.961   5.4256 13.78444 8.951245 
1 1 1  -32   10    3 o  198.533   4.7187  274.435   11.774  285.202   14.361  252.365   20.562  204.821   5.1741  192.245   7.8926 12.57616 9.437447 
1 1 1  -32   10    4 o  288.863   5.7754  569.221   22.200  565.880   28.759  574.147   34.922  288.034   7.3680  289.692   8.8956 -1.657837 11.55074 
1 1 1  -32   10    5 o  371.241   5.9715  908.933   26.569  873.460   30.762  1013.11   52.718  358.173   6.3378  384.309   10.123 -26.13519 11.94304 
1 1 1  -32   10    6 o   99.110   4.7106   66.210   6.2001   63.577   7.9389   70.327   9.9271   96.655   6.0611  101.565   7.2127 -4.909996 9.421236 
1 1 1  -32   10    7 o  184.120   5.0602  246.727   11.569  279.667   14.411  187.010   19.403  202.835   5.2429  165.405   8.6565 37.42992 10.12043 
1 1 1  -32   10    8 o  111.156   5.9784   84.066   9.0053   84.066   9.0053   0.0000   0.0000  111.156   5.9784  ?   ?       ?      ? 
1 1 1  -32   10    9 o  128.901   4.6615  111.275   7.8521  106.411   9.7804  120.093   13.171  125.080   5.7701  132.723   7.3228 -7.643219 9.323000 
1 1 1  -32   10   10 o   50.955   7.4530   18.403   4.9751   16.637   6.8696   20.351   7.2146   48.304   10.769   53.606   10.306 -5.301567 14.90599 
1 1 1  -32   10   11 o  249.080   5.1752  430.314   16.071  442.561   19.418  403.682   28.634  255.114   5.6169  243.046   8.6939 12.06804 10.35049 
1 1 1  -32   10   12 o   78.811   5.8036   42.425   6.1448   42.559   8.1797   42.252   9.3097   78.994   7.6412   78.629   8.7371 0.3648758 11.60711 
1 1 1  -32   10   13 o  165.358   5.0211  191.394   10.580  202.705   13.145  170.589   17.828  172.658   5.6183  158.057   8.3235 14.60075 10.04224 
1 1 1  -32   10   14 o  267.202   5.3176  488.476   17.668  491.022   21.173  482.638   32.064  268.691   5.8149  265.714   8.9048 2.977264 10.63521 
1 1 1  -32   10   15 o  174.079   5.4240  205.664   12.757  193.944   17.248  219.820   18.956  168.649   7.5471  179.509   7.7924 -10.86060 10.84806 
1 1 1  -32   10   16 o   94.443   6.5207   60.601   8.3172   67.176   12.348   55.141   11.253   99.104   9.1947   89.783   9.2485 9.320145 13.04138 
1 1 1  -32   10   17 o  180.915   5.0511  225.554   11.635  230.653   14.291  215.531   20.037  184.165   5.7263  177.665   8.3224 6.500153 10.10212 
1 1 1  -32   10   18 o  270.504   5.4144  502.649   18.164  508.144   21.756  490.008   33.000  273.325   5.8738  267.683   9.0972 5.641846 10.82872 
1 1 1  -32   10   19 o  175.395   4.8969  203.554   10.992  192.221   13.325  227.691   19.447  168.109   5.8492  182.682   7.8554 -14.57283 9.793882 
1 1 1  -32   10   20 o   69.066   7.5257   35.113   6.4703   42.180   8.4934   25.341   9.9878   78.618   7.9722   59.514   12.767 19.10384 15.05149 
1 1 1  -32   10   21 o  251.870   5.8197  431.493   19.864  431.493   19.864   0.0000   0.0000  251.870   5.8197  ?   ?       ?      ? 
1 1 1  -32   10   22 o   50.803   8.8034   18.149   5.9492   16.252   7.7476   20.873   9.2870   47.669   12.002   53.938   12.883 -6.268803 17.60689 
1 1 1  -32   10   23 o  104.626   6.2026   80.103   8.1459   94.566   10.417   57.333   13.070  117.850   6.5224   91.402   10.552 26.44807 12.40512 
1 1 1  -32   10   24 o  104.934   5.8966   76.328   8.0758   79.728   10.269   70.816   13.075  108.166   7.0055  101.701   9.4871 6.464775 11.79329 
1 1 1  -32   10   25 o  197.347   5.2026  267.095   13.039  270.034   15.929  261.126   22.703  199.225   5.9001  195.469   8.5707 3.755859 10.40518 
1 1 1  -32   10   26 o   94.309   6.4395   62.318   7.9440   67.549   10.264   54.501   12.546   99.503   7.6116   89.115   10.389 10.38830 12.87896 
1 1 1  -32   10   27 o  351.056   6.1876  862.126   26.794  891.929   32.181  794.786   48.374  361.877   6.5624  340.234   10.492 21.64279 12.37517 
1 1 1  -32   10   28 o  296.812   5.6695  590.703   20.732  575.924   24.500  627.979   38.910  290.856   6.2159  302.769   9.4835 -11.91266 11.33905 
1 1 1  -32   10   29 o  199.731   5.2872  269.385   13.409  264.303   16.256  280.201   23.716  197.048   6.0879  202.414   8.6460 -5.365952 10.57433 
1 1 1  -32   10   30 o  159.545   7.0949  177.635   14.873  161.344   23.514  188.499   19.202  153.065   11.336  166.025   8.5346 -12.96034 14.18979 
1 1 1  -32   10   31 o  358.758   7.7448  887.286   37.573  829.348   53.469  943.805   52.810  346.953   11.372  370.564   10.517 -23.61169 15.48954 
1 1 1  -32   10   32 o  110.426   6.5306   84.044   9.7062   89.085   13.248   78.203   14.261  114.107   8.5677  106.744   9.8585 7.363136 13.06124 
1 1 1  -32   10   33 o  320.549   6.3081  700.359   26.469  690.744   33.269  716.941   43.689  317.998   7.7202  323.100   9.9783 -5.102081 12.61621 
1 1 1  -32   10   34 o  118.270   6.0366   97.660   9.2104  102.592   11.566   89.109   15.228  122.635   6.9596  113.906   9.8653 8.728981 12.07313 
1 1 1  -32   10   35 o   99.287   6.7330   70.901   8.4862   79.096   10.709   57.073   13.912  107.627   7.3428   90.948   11.288 16.67931 13.46602 
1 1 1  -32   10   36 o  268.607   6.1272  491.583   22.303  491.583   22.303   0.0000   0.0000  268.607   6.1272  ?   ?       ?      ? 
1 1 1  -32   10   37 o  136.316   5.3249  126.524   9.7953  131.967   14.654  122.127   13.170  138.917   7.7844  133.716   7.2680 5.200607 10.64988 
1 1 1  -32   10   38 o  219.376   4.9500  329.302   14.675  317.396   21.325  340.011   20.225  215.528   7.3013  223.225   6.6860 -7.696808 9.900043 
1 1 1  -32   10   39 o  114.775   5.6692   91.306   8.6896   81.956   13.022   98.811   11.667  109.292   8.7925  120.258   7.1592 -10.96602 11.33849 
1 1 1  -32   10   40 o  165.008   5.0218  185.428   11.172  192.126   16.780  180.094   14.974  167.618   7.3873  162.397   6.8043 5.221024 10.04350 
1 1 1  -32   10   41 o  123.867   5.4997  105.174   9.1677  104.090   13.758  106.039   12.295  123.213   8.2399  124.521   7.2863 -1.308540 10.99935 
1 1 1  -32   10   42 o   72.463   7.9914   38.557   7.2844   29.608   11.237   45.043   9.5667   63.951   13.395   80.975   8.7183 -17.02367 15.98271 
1 1 1  -32   10   43 o  109.654   7.2635   81.773   9.6637   86.131   18.530   80.145   11.326  111.162   12.301  108.147   7.7282 3.014610 14.52690 
1 1 1  -32   10   44 o  267.443   6.4417  494.062   21.500  488.708   38.727  496.448   25.849  265.538   10.762  269.349   7.0819 -3.811340 12.88344 
1 1 1  -32   10   45 o  184.591   6.8864  233.135   17.226   0.0000   0.0000  233.135   17.226  ?   ?   184.591   6.8864      ?      ? 
1 1 1  -32   10   46 o   60.793   9.0151   27.048   7.0965   25.231   11.035   28.329   9.2668   58.664   14.064   62.921   11.283 -4.256439 18.03016 
1 1 1  -32   10   47 f  120.566   5.6481  101.272   9.0980   87.354   13.371  113.273   12.415  112.572   8.7648  128.561   7.1264 -15.98931 11.29630 
1 1 1  -32   10   48 o   86.091   6.6224   50.683   7.6823   57.687   11.603   45.216   10.251   91.325   9.3753   80.856   9.3558 10.46925 13.24489 
1 1 1  -32   10   49 o  191.844   5.0783  252.586   13.164  252.338   19.359  252.799   17.954  191.662   7.4535  192.025   6.8994 -0.3623657 10.15654 
1 1 1  -32   10   50 o   81.477   10.641   49.126   11.244   71.911   16.375   28.801   15.466  101.151   11.946   61.802   17.612 39.34874 21.28143 
1 1 1  -32   10   51 o  172.768   7.3569  208.272   17.224  209.147   24.290  207.387   24.427  173.159   10.351  172.378   10.457 0.7806549 14.71384 
1 1 1  -32   10   52 f  123.373   6.8855  104.444   11.058  100.637   13.733  111.463   18.648  120.644   8.3999  126.102   10.913 -5.457191 13.77109 
1 1 1  -32   10   53 o  130.127   6.7552  116.723   11.384  113.878   14.087  122.081   19.328  128.361   8.0984  131.893   10.814 -3.531937 13.51036 
1 1 1  -32   10   54 o   62.755   8.4230   27.866   6.9827   33.631   10.628   23.487   9.2623   69.030   11.361   56.479   12.438 12.55116 16.84600 
1 1 1  -32   10   55 o  123.058   5.5563  104.673   9.1997  105.533   13.881  103.999   12.285  123.361   8.3037  122.756   7.3851 0.6048813 11.11266 
1 1 1  -32   10   56 o  121.794   5.5678  102.731   9.1566  102.981   13.535  102.520   12.433  121.819   8.1993  121.769   7.5348 0.4953003E-01 11.13558 
1 1 1  -32   10   57 o  118.134   5.5255   96.606   8.8148   98.496   13.073   95.030   11.937  119.092   8.1002  117.176   7.5174 1.916306 11.05100 
1 1 1  -32   10   58 o   62.325   9.5960   29.096   7.7804   28.717   10.146   29.636   12.122   62.242   12.464   62.408   14.594 -0.1657906 19.19197 
1 1 1  -32   10   59 o   50.637   10.288   19.280   8.4437   5.4383   12.612   30.525   11.367   37.633   15.446   63.642   13.594 -26.00850 20.57594 
1 1 1  -32   10   60 o   62.614   10.859   30.554   9.1020   28.917   13.866   31.793   12.065   60.639   16.454   64.588   14.174 -3.948486 21.71766 
1 1 1  -32   10   61 o   40.706   9.7833   11.483   6.8825   16.707   9.0909   4.4679   10.534   46.966   13.540   34.446   14.125 12.51959 19.56656 
1 1 1  -32   10   62 o   58.551   9.4338   26.610   7.5499   33.078   10.182   18.711   11.252   67.808   11.081   49.295   15.271 18.51315 18.86756 
1 1 1  -32   10   63 o   56.042   9.1625   21.889   7.3647   10.458   9.5553   38.616   11.559   39.196   14.102   72.888   11.702 -33.69194 18.32508 
1 1 1  -32   10   64 o   47.107   10.165   15.061   7.2881   8.1528   9.2410   26.428   11.854   36.358   13.727   57.856   14.996 -21.49769 20.33012 
1 1 1  -32   10   65 o   89.361   13.356   59.770   16.173   59.770   16.173   0.0000   0.0000   89.361   13.356  ?   ?       ?      ? 
1 1 1  -32   10   66 o   70.175   10.475   39.078   9.5346   37.321   14.770   40.333   12.484   67.775   16.285   72.575   13.179 -4.800186 20.94955 
1 1 1  -32   10   67 o   77.991   9.8205   47.405   9.9276   42.857   15.160   50.820   13.136   72.920   15.798   83.061   11.671 -10.14115 19.64107 
1 1 1  -32   10   68 o   39.122   10.948   9.0716   8.4790   9.4802   13.445   8.8017   10.925   40.311   16.165   37.933   14.769 2.377548 21.89601 
1 1 1  -32   10   69 o   64.266   11.139   31.887   9.6457   46.914   15.545   22.479   12.300   76.171   15.585   52.361   15.921 23.81082 22.27891 
1 1 1  -32   10   70 o   58.853   11.597   28.554   9.5244   32.795   14.619   25.427   12.554   62.293   16.892   55.412   15.893 6.881226 23.19362 
1 1 1  -32   10   71 o   87.156   9.7758   60.148   10.973   48.559   15.982   70.483   15.092   76.925   15.858   97.386   11.436 -20.46123 19.55160 
1 1 1  -32   10   72 o   49.701   16.142   20.501   12.443   0.0000   0.0000   20.501   12.443  ?   ?    49.701   16.142      ?      ? 
1 1 1  -32   10   73 o   80.534   12.724   49.583   13.887   0.0000   0.0000   49.583   13.887  ?   ?    80.534   12.724      ?      ? 
1 1 1  -32   10   74 o   56.247   16.161   27.015   12.970   0.0000   0.0000   27.015   12.970  ?   ?    56.247   16.161      ?      ? 
1 1 1  -32   10   75 o   59.200   16.507   30.414   13.740   0.0000   0.0000   30.414   13.740  ?   ?    59.200   16.507      ?      ? 
1 1 1  -32   10   76 o   29.723   13.502  -2.6863   11.845   0.0000   0.0000  -2.6863   11.845  ?   ?    29.723   13.502      ?      ? 
1 1 1  -32   11    1 o  150.900   7.2450  155.611   14.815  155.611   14.815   0.0000   0.0000  150.900   7.2450  ?   ?       ?      ? 
1 1 1  -32   11    2 o   53.059   5.1593   19.453   3.6567   20.839   4.8923   17.698   5.5042   55.270   6.5320   50.849   7.9879 4.420845 10.31858 
1 1 1  -32   11    3 o   88.171   4.7838   53.907   5.5208   56.709   7.0636   49.510   8.8501   91.252   5.7122   85.090   7.6752 6.162270 9.567513 
1 1 1  -32   11    4 o  222.697   5.3660  340.060   16.052  347.579   21.471  330.533   24.169  225.637   7.0221  219.758   8.1157 5.879623 10.73196 
1 1 1  -32   11    5 o  235.059   4.8776  368.669   14.310  356.155   17.039  398.621   26.361  228.747   5.4967  241.370   8.0591 -12.62381 9.755165 
1 1 1  -32   11    6 o  118.666   4.6594   94.481   7.3019   89.521   9.2311  102.772   11.935  114.643   5.9419  122.688   7.1786 -8.045135 9.318728 
1 1 1  -32   11    7 o  269.944   5.2454  502.773   17.638  510.884   21.228  484.687   31.698  273.934   5.7183  265.953   8.7953 7.980713 10.49078 
1 1 1  -32   11    8 o  225.647   5.5697  346.544   17.031  346.544   17.031   0.0000   0.0000  225.647   5.5697  ?   ?       ?      ? 
1 1 1  -32   11    9 o  143.987   4.7384  141.551   8.9193  142.044   11.236  140.712   14.667  144.448   5.7400  143.526   7.5408 0.9228516 9.476868 
1 1 1  -32   11   10 o  176.649   4.7678  210.815   10.847  206.554   13.336  219.143   18.644  174.205   5.6492  179.093   7.6820 -4.888321 9.535583 
1 1 1  -32   11   11 o  132.200   4.8583  118.105   8.4558  114.725   10.684  123.772   13.834  129.786   6.0747  134.613   7.5834 -4.826950 9.716512 
1 1 1  -32   11   12 o  257.070   5.2511  458.772   16.927  472.024   20.551  430.814   29.850  263.332   5.7590  250.809   8.7824 12.52242 10.50223 
1 1 1  -32   11   13 o  133.823   4.8984  121.524   8.6560  119.415   11.019  124.924   13.989  132.409   6.1410  135.237   7.6331 -2.827911 9.796730 
1 1 1  -32   11   14 o  234.556   5.0761  373.314   14.991  369.741   18.080  381.175   26.819  233.072   5.7242  236.040   8.3846 -2.967270 10.15222 
1 1 1  -32   11   15 o  143.008   5.5553  139.706   10.764  135.993   15.082  143.561   15.366  141.067   7.8896  144.949   7.8230 -3.882492 11.11057 
1 1 1  -32   11   16 o   70.751   6.8187   34.562   6.1526   23.782   8.2818   47.841   9.1912   57.852   10.965   83.649   8.1082 -25.79737 13.63741 
1 1 1  -32   11   17 o  138.139   5.4436  130.614   10.128  132.866   13.660  127.863   15.094  139.532   7.2241  136.747   8.1450 2.784729 10.88710 
1 1 1  -32   11   18 o  242.743   5.5045  394.403   17.627  369.056   22.200  437.649   28.997  232.587   7.0433  252.899   8.4610 -20.31239 11.00892 
1 1 1  -32   11   19 o  137.104   5.5516  129.504   10.208  137.658   13.770  119.558   15.209  142.032   7.1545  132.175   8.4910 9.856995 11.10329 
1 1 1  -32   11   20 o  268.364   7.1246  491.438   25.910  491.438   25.910   0.0000   0.0000  268.364   7.1246  ?   ?       ?      ? 
1 1 1  -32   11   21 o  126.701   7.5601  109.645   12.980  109.645   12.980   0.0000   0.0000  126.701   7.5601  ?   ?       ?      ? 
1 1 1  -32   11   22 o  163.608   5.5220  185.492   12.034  200.758   16.053  165.909   18.182  171.553   6.9051  155.662   8.6192 15.89053 11.04403 
1 1 1  -32   11   23 o  132.579   5.7762  121.915   10.223  134.427   13.824  106.810   15.189  140.323   7.2695  124.835   8.9785 15.48823 11.55248 
1 1 1  -32   11   24 o  228.527   5.5399  351.467   16.760  332.601   21.277  382.309   27.204  220.750   7.1126  236.305   8.4953 -15.55551 11.07971 
1 1 1  -32   11   25 o  279.430   5.5482  530.500   19.402  525.197   23.282  542.553   35.102  277.632   6.1884  281.229   9.2105 -3.597473 11.09639 
1 1 1  -32   11   26 o  104.262   7.2375   74.001   9.9931   78.536   16.124   71.172   12.734  106.678   11.154  101.847   9.2261 4.831573 14.47500 
1 1 1  -32   11   27 o  220.034   5.7500  333.801   16.906  348.198   22.421  314.832   25.737  225.778   7.3282  214.290   8.8627 11.48846 11.50002 
1 1 1  -32   11   28 o  223.571   5.2490  337.046   14.816  329.404   17.857  353.935   26.545  219.883   5.9928  227.258   8.6193 -7.374756 10.49792 
1 1 1  -32   11   29 o  105.443   6.4931   76.578   9.2280   67.461   13.038   85.730   13.062   99.052   9.7136  111.835   8.6191 -12.78294 12.98626 
1 1 1  -32   11   30 o   55.231   9.7325   22.442   7.2935   18.442   10.975   25.606   9.7604   50.780   14.946   59.682   12.470 -8.901684 19.46509 
1 1 1  -32   11   31 o  167.853   5.2782  190.170   11.374  185.115   13.917  200.335   19.736  164.767   6.2329  170.939   8.5198 -6.172195 10.55631 
1 1 1  -32   11   32 o  253.919   5.5956  451.284   17.719  468.073   21.473  415.460   31.367  262.033   6.0472  245.805   9.4166 16.22786 11.19112 
1 1 1  -32   11   33 o  140.119   5.8561  141.265   10.408  158.171   13.141  112.815   17.047  152.259   6.3689  127.979   9.8292 24.27966 11.71226 
1 1 1  -32   11   34 o  269.883   5.5169  480.196   18.417  455.153   21.703  544.626   34.812  258.308   6.2002  281.457   9.1271 -23.14896 11.03388 
1 1 1  -32   11   35 o  156.477   6.3248  167.104   13.412  167.104   13.412   0.0000   0.0000  156.477   6.3248  ?   ?       ?      ? 
1 1 1  -32   11   36 o  116.561   5.8532   89.020   8.9330   78.073   11.041  109.769   15.201  106.766   7.6311  126.356   8.8773 -19.59077 11.70640 
1 1 1  -32   11   37 o   55.251   8.9580   22.071   7.5595   4.9837   10.868   38.087   10.522   36.304   14.542   74.198   10.464 -37.89336 17.91600 
1 1 1  -32   11   38 o   47.839   9.5238   15.631   7.5457   1.4772   11.115   27.730   10.276   33.735   14.223   61.944   12.669 -28.20995 19.04763 
1 1 1  -32   11   39 f  204.918   5.9207  288.743   16.292  289.566   21.656  287.669   24.729  205.454   7.7783  204.382   8.9285 1.072357 11.84148 
1 1 1  -32   11   40 o  261.666   6.0411  470.771   20.907  469.485   26.791  472.774   33.433  261.645   7.5561  261.687   9.4279 -0.4190063E-01 12.08224 
1 1 1  -32   11   41 o  197.666   5.0659  269.846   13.460  240.984   19.551  295.850   18.558  187.368   7.7000  207.965   6.5850 -20.59756 10.13178 
1 1 1  -32   11   42 o  199.933   4.9851  273.872   13.449  274.571   19.973  273.292   18.190  200.063   7.3670  199.803   6.7181 0.2595978 9.970269 
1 1 1  -32   11   43 o  154.620   5.0839  164.139   10.577  162.657   15.889  165.320   14.175  153.877   7.6197  155.364   6.7325 -1.487289 10.16787 
1 1 1  -32   11   44 o   82.326   8.8212   50.982   8.3354   42.563   15.504   54.405   9.8855   75.786   15.616   88.866   8.2088 -13.08061 17.64238 
1 1 1  -32   11   45 o   89.883   6.3031   56.087   7.5637   54.508   11.648   57.239   9.9459   88.618   9.6993   91.148   8.0522 -2.530098 12.60611 
1 1 1  -32   11   46 f  118.705   5.5324   97.456   8.8187   93.809   13.251  100.355   11.815  116.559   8.3895  120.852   7.2142 -4.293434 11.06474 
1 1 1  -32   11   47 o   42.986   9.2194   13.423   6.2194   6.3383   9.6961   18.375   8.1068   35.879   13.929   50.093   12.082 -14.21395 18.43889 
1 1 1  -32   11   48 o  115.224   5.6139   92.546   8.6410   85.239   13.052   98.248   11.530  110.927   8.6828  119.521   7.1185 -8.593895 11.22777 
1 1 1  -32   11   49 o   86.975   6.4588   52.315   7.5651   54.945   11.459   50.283   10.072   88.807   9.5214   85.142   8.7298 3.664719 12.91768 
1 1 1  -32   11   50 o   55.007   10.606   21.692   7.9715   17.780   10.080   28.221   13.024   49.005   14.295   61.009   15.671 -12.00405 21.21153 
1 1 1  -32   11   51 o   65.345   7.8724   29.892   6.7588   35.998   10.494   25.564   8.8356   71.466   10.835   59.224   11.423 12.24176 15.74478 
1 1 1  -32   11   52 o  115.680   5.5820   93.257   8.6614   88.224   12.997   97.278   11.617  112.648   8.5139  118.712   7.2213 -6.063438 11.16398 
1 1 1  -32   11   53 f  121.661   5.5539  103.624   9.0592   92.730   13.326  112.985   12.353  115.412   8.5203  127.910   7.1267 -12.49726 11.10786 
1 1 1  -32   11   54 o   58.602   9.9168   26.642   7.8276   31.258   10.404   20.620   11.883   65.109   12.241   52.095   15.605 13.01352 19.83368 
1 1 1  -32   11   55 o  106.226   6.8986   81.681   9.5900   91.145   12.573   68.513   14.830  114.419   8.1086   98.033   11.163 16.38522 13.79714 
1 1 1  -32   11   56 o   91.386   7.2943   59.650   8.8599   61.645   11.595   56.850   13.734   93.678   9.1341   89.095   11.375 4.582985 14.58859 
1 1 1  -32   11   57 o  135.598   6.2423  127.479   11.257  121.086   14.439  137.387   17.975  131.697   8.0904  139.500   9.5085 -7.803680 12.48457 
1 1 1  -32   11   58 o   43.975   11.082   11.636   8.8167   21.923   13.220   3.3958   11.832   52.951   16.577   34.999   14.711 17.95232 22.16334 
1 1 1  -32   11   59 f   75.905   14.954   44.587   14.834   44.587   14.834   0.0000   0.0000   75.905   14.954  ?   ?       ?      ? 
1 1 1  -32   11   60 o   78.701   9.9875   44.231   10.652   44.231   10.652   0.0000   0.0000   78.701   9.9875  ?   ?       ?      ? 
1 1 1  -32   11   61 o  108.684   6.7711   83.059   9.7704   78.746   12.489   89.861   15.685  105.549   8.7317  111.818   10.351 -6.269379 13.54228 
1 1 1  -32   11   62 f   51.869   11.087   20.243   8.6369   29.855   13.352   13.326   11.326   60.807   15.990   42.932   15.363 17.87453 22.17426 
1 1 1  -32   11   63 o  120.770   7.9007  108.816   12.541   83.910   18.266  131.028   17.250  106.123   12.701  135.416   9.3999 -29.29311 15.80139 
1 1 1  -32   11   64 o   71.977   15.539   41.591   14.713   41.591   14.713   0.0000   0.0000   71.977   15.539  ?   ?       ?      ? 
1 1 1  -32   11   65 o   25.292   8.3481  -8.2618   7.2370 -16.0173   11.290  -2.8532   9.4286   23.546   11.413   27.038   12.186 -3.491644 16.69621 
1 1 1  -32   11   66 o   46.564   11.200   16.937   8.3627   18.628   12.949   15.728   10.953   48.207   16.486   44.921   15.163 3.286686 22.39904 
1 1 1  -32   11   67 o   50.423   11.332   21.020   8.7717   18.010   13.459   23.243   11.565   47.504   16.774   53.341   15.240 -5.837093 22.66310 
1 1 1  -32   11   68 o   41.655   11.019   10.969   8.5209   19.386   13.292   5.0970   11.102   48.681   16.702   34.628   14.379 14.05252 22.03900 
1 1 1  -32   11   69 o   53.921   9.6712   23.259   9.0434   0.9686   13.614   40.862   12.098   34.191   15.073   73.651   12.122 -39.45927 19.34239 
1 1 1  -32   11   70 o   26.192   8.6940  -8.2899   7.7204  -6.0913   11.799  -9.9362   10.210   28.204   13.054   24.180   11.487 4.023098 17.38801 
1 1 1  -32   11   71 o   40.868   15.438   12.160   11.693   0.0000   0.0000   12.160   11.693  ?   ?    40.868   15.438      ?      ? 
1 1 1  -32   11   72 f   40.677   15.748   11.791   12.367   0.0000   0.0000   11.791   12.367  ?   ?    40.677   15.748      ?      ? 
1 1 1  -32   11   73 o   32.472   14.341   0.9424   12.380   0.0000   0.0000   0.9424   12.380  ?   ?    32.472   14.341      ?      ? 
1 1 1  -32   11   74 o   56.240   17.325   28.585   14.506   0.0000   0.0000   28.585   14.506  ?   ?    56.240   17.325      ?      ? 
1 1 1  -32   11   75 o  103.313   12.460   83.342   17.445   0.0000   0.0000   83.342   17.445  ?   ?   103.313   12.460      ?      ? 
1 1 1  -32   12    1 o  171.694   7.2161  201.921   16.790  201.921   16.790   0.0000   0.0000  171.694   7.2161  ?   ?       ?      ? 
1 1 1  -32   12    2 o   64.211   5.4965   29.603   4.5444   34.324   5.9151   22.802   7.0993   70.899   6.1567   57.523   9.1073 13.37519 10.99305 
1 1 1  -32   12    3 f  199.629   4.7274  271.850   11.868  270.837   14.320  274.073   21.208  199.367   5.3003  199.891   7.8294 -0.5246124 9.454791 
1 1 1  -32   12    4 o  114.506   5.5314   90.489   8.5052   84.845   12.670   95.118   11.475  111.128   8.4137  117.883   7.1829 -6.755608 11.06274 
1 1 1  -32   12    5 o  119.262   4.6386   95.555   7.2674   90.903   9.1145  103.676   12.042  115.448   5.8259  123.077   7.2199 -7.628571 9.277298 
1 1 1  -32   12    6 o  101.896   4.8355   70.236   6.5718   67.016   8.4862   75.062   10.387   99.074   6.3207  104.718   7.3197 -5.643906 9.671069 
1 1 1  -32   12    7 o  151.067   4.7037  155.066   9.2156  153.016   11.443  158.851   15.546  149.830   5.6358  152.304   7.5324 -2.474335 9.407384 
1 1 1  -32   12    8 o  117.434   6.0655   94.081   9.6526   94.081   9.6526   0.0000   0.0000  117.434   6.0655  ?   ?       ?      ? 
1 1 1  -32   12    9 o  212.142   4.9376  309.663   13.264  313.403   16.167  301.961   23.200  214.458   5.5630  209.825   8.1593 4.633209 9.875297 
1 1 1  -32   12   10 o  224.688   4.9547  340.145   14.022  331.901   16.860  358.646   25.256  220.686   5.6376  228.689   8.1496 -8.003372 9.909497 
1 1 1  -32   12   11 f   94.736   5.3700   62.232   6.7573   66.135   8.8982   56.917   10.386   98.401   6.6730   91.072   8.4154 7.329086 10.73999 
1 1 1  -32   12   12 o  139.060   4.8207  131.387   8.7840  129.296   11.050  134.977   14.478  137.706   5.9216  140.414   7.6087 -2.707672 9.641419 
1 1 1  -32   12   13 o  143.424   4.8080  138.503   9.0597  132.642   11.378  148.656   14.976  139.465   6.0203  147.383   7.4982 -7.918137 9.615919 
1 1 1  -32   12   14 o  134.410   4.9192  122.062   8.7130  117.700   11.010  129.374   14.253  131.353   6.1852  137.467   7.6510 -6.114365 9.838430 
1 1 1  -32   12   15 o   87.657   6.4416   54.364   7.4236   43.240   11.113   63.328   9.9760   79.135   10.363   96.178   7.6541 -17.04301 12.88316 
1 1 1  -32   12   16 o  118.785   5.1467   97.041   8.0565   98.918   10.318   94.108   12.896  120.400   6.3237  117.169   8.1219 3.231026 10.29343 
1 1 1  -32   12   17 o   83.040   5.8163   46.906   6.5185   42.173   8.7912   52.686   9.7151   78.419   8.2727   87.662   8.1781 -9.242805 11.63266 
1 1 1  -32   12   18 o  126.274   5.3256  112.317   8.7468  122.981   11.256   96.060   13.898  134.267   6.1862  118.280   8.6706 15.98711 10.65117 
1 1 1  -32   12   19 o  138.972   5.3132  136.976   9.5089  150.952   12.119  114.589   15.338  148.781   6.0108  129.163   8.7630 19.61732 10.62636 
1 1 1  -32   12   20 o  136.346   6.3176  126.863   11.673  126.863   11.673   0.0000   0.0000  136.346   6.3176  ?   ?       ?      ? 
1 1 1  -32   12   21 o   97.547   7.2982   65.433   9.2985   66.774   15.408   64.665   11.661   98.089   11.591   97.005   8.8710 1.084366 14.59649 
1 1 1  -32   12   22 o  227.076   6.5597  356.726   20.018  337.910   29.817  372.167   27.011  221.335   9.9409  232.816   8.5613 -11.48087 13.11937 
1 1 1  -32   12   23 o  213.099   5.1447  305.244   13.934  295.447   16.861  326.352   24.748  208.133   5.9779  218.064   8.3748 -9.930847 10.28944 
1 1 1  -32   12   24 o  116.854   5.3713   92.776   8.3198   90.087   10.639   97.009   13.349  114.809   6.8381  118.898   8.2851 -4.089890 10.74254 
1 1 1  -32   12   25 o  142.997   5.3159  143.030   9.8939  152.287   12.615  128.237   15.947  149.373   6.2322  136.621   8.6137 12.75267 10.63183 
1 1 1  -32   12   26 o   98.336   5.9334   67.290   7.7490   71.759   10.216   61.237   11.891  102.382   7.3637   94.290   9.3058 8.091263 11.86683 
1 1 1  -32   12   27 o  117.548   6.0608   95.095   9.5903   81.558   13.391  109.352   13.742  108.845   9.0785  126.251   8.0320 -17.40536 12.12151 
1 1 1  -32   12   28 o  121.888   8.0649  108.643   11.966   89.994   21.322  117.217   14.457  113.105   13.911  130.671   8.1645 -17.56554 16.12985 
1 1 1  -32   12   29 o  213.627   7.0617  309.170   19.750  339.462   33.065  292.369   24.625  221.136   11.034  206.118   8.8162 15.01781 14.12344 
1 1 1  -32   12   30 o   69.847   8.8681   34.565   7.9803   53.335   11.979   19.588   10.701   87.812   10.067   51.882   14.603 35.93027 17.73626 
1 1 1  -32   12   31 o  168.428   5.9060  197.137   13.328  218.035   18.249  173.242   19.513  178.321   7.5517  158.534   9.0826 19.78706 11.81195 
1 1 1  -32   12   32 o   46.610   9.6952   15.360   6.5986   12.026   9.0264   19.187   9.6706   41.932   13.755   51.288   13.667 -9.355995 19.39042 
1 1 1  -32   12   33 o  188.139   5.2996  242.821   12.778  242.869   15.710  242.727   21.964  188.542   6.1486  187.735   8.6334 0.8069458 10.59913 
1 1 1  -32   12   34 f  179.221   6.1843  219.516   15.020  219.516   15.020   0.0000   0.0000  179.221   6.1843  ?   ?       ?      ? 
1 1 1  -32   12   35 o  142.128   6.5105  138.219   12.539  138.219   12.539   0.0000   0.0000  142.128   6.5105  ?   ?       ?      ? 
1 1 1  -32   12   36 o   69.825   8.0347   35.448   7.1486   38.923   9.2979   30.424   11.179   75.045   9.1428   64.604   13.215 10.44096 16.06946 
1 1 1  -32   12   37 o  104.394   6.0320   74.167   8.2921   71.097   10.457   79.366   13.610  101.716   7.5863  107.072   9.3802 -5.356224 12.06401 
1 1 1  -32   12   38 o   96.501   6.2891   64.061   7.9872   63.089   10.122   65.666   13.003   95.755   7.8002   97.247   9.8674 -1.491882 12.57810 
1 1 1  -32   12   39 o   78.535   7.0933   43.678   7.3060   46.540   9.4282   39.377   11.559   82.104   8.4739   74.966   11.378 7.138107 14.18657 
1 1 1  -32   12   40 o  128.495   5.5628  112.316   9.2894  108.801   11.521  118.849   15.706  125.939   6.7505  131.051   8.8437 -5.112022 11.12565 
1 1 1  -32   12   41 o   90.708   6.3431   54.558   7.6174   45.556   9.6093   69.780   12.496   81.125   8.7409  100.290   9.1943 -19.16512 12.68613 
1 1 1  -32   12   42 o  122.145   5.9281  105.198   9.2979  110.115   11.611   96.408   15.523  126.633   6.7663  117.657   9.7360 8.976074 11.85628 
1 1 1  -32   12   43 o  200.345   5.9353  280.568   15.838  295.372   20.923  260.703   24.237  207.040   7.4575  193.649   9.2358 13.39055 11.87070 
1 1 1  -32   12   44 o   81.753   6.7072   46.669   7.2497   46.146   11.547   47.010   9.3142   81.117   10.505   82.389   8.3425 -1.272530 13.41443 
1 1 1  -32   12   45 o  147.430   5.1571  150.482   10.218  144.470   15.284  155.342   13.741  144.573   7.8011  150.288   6.7472 -5.714676 10.31413 
1 1 1  -32   12   46 o   93.880   6.0611   60.531   7.6321   66.016   11.841   56.633   9.9823   97.365   8.9745   90.395   8.1490 6.970108 12.12217 
1 1 1  -32   12   47 o   87.357   6.3700   53.914   7.3928   48.964   11.307   57.609   9.7703   83.524   9.9899   91.189   7.9065 -7.665535 12.74008 
1 1 1  -32   12   48 o  106.729   5.8873   80.864   8.3229   65.843   12.270   93.666   11.327   97.004   9.3339  116.455   7.1778 -19.45033 11.77461 
1 1 1  -32   12   49 o  191.728   7.3243  254.311   19.030  254.311   19.030   0.0000   0.0000  191.728   7.3243  ?   ?       ?      ? 
1 1 1  -32   12   50 o   71.352   8.2367   36.340   7.7521   31.919   10.305   42.103   11.766   65.862   11.988   76.843   11.299 -10.98065 16.47336 
1 1 1  -32   12   51 o   45.903   8.8740   13.179   6.8029   0.2589   9.1752   28.954   10.138   29.400   12.673   62.407   12.425 -33.00629 17.74803 
1 1 1  -32   12   52 o   47.957   10.087   17.311   7.0049   16.504   9.3802   18.328   10.532   46.806   13.829   49.107   14.688 -2.301105 20.17386 
1 1 1  -32   12   53 o   95.346   6.7822   61.055   8.5344   47.086   10.819   84.065   13.886   81.545   9.7906  109.147   9.3881 -27.60210 13.56442 
1 1 1  -32   12   54 o   98.141   6.9179   68.897   9.0483   72.024   11.957   64.708   13.841  101.224   8.7171   95.059   10.744 6.164726 13.83579 
1 1 1  -32   12   55 o  127.402   6.3872  116.411   10.731  124.180   13.990  105.309   16.725  133.331   7.7431  121.474   10.160 11.85696 12.77441 
1 1 1  -32   12   56 o   93.078   6.9546   59.441   8.5679   45.047   11.062   81.021   13.545   79.301   10.294  106.856   9.3541 -27.55517 13.90919 
1 1 1  -32   12   57 o   61.370   10.913   29.638   8.9676   31.943   13.941   28.012   11.712   62.991   16.231   59.749   14.592 3.242252 21.82535 
1 1 1  -32   12   58 o   76.246   10.090   44.300   9.9232   50.012   15.546   40.372   12.891   80.007   14.886   72.485   13.624 7.522102 20.17954 
1 1 1  -32   12   59 o  151.097   7.4862  169.141   14.810  125.354   21.363  209.662   20.550  130.322   12.096  171.871   8.8234 -41.54927 14.97246 
1 1 1  -32   12   60 o   38.550   10.612   9.0744   7.9699   6.4430   12.670   10.798   10.252   37.516   15.450   39.584   14.552 -2.068611 21.22389 
1 1 1  -32   12   61 o   67.561   10.365   36.718   9.1454   32.930   13.995   39.542   12.082   63.310   16.235   71.813   12.889 -8.502533 20.72918 
1 1 1  -32   12   62 o   67.963   15.649   37.538   14.115   37.538   14.115   0.0000   0.0000   67.963   15.649  ?   ?       ?      ? 
1 1 1  -32   12   63 o   94.186   12.818   67.012   16.360   67.012   16.360   0.0000   0.0000   94.186   12.818  ?   ?       ?      ? 
1 1 1  -32   12   64 o   59.293   9.9207   29.244   9.3378   7.1919   13.859   47.580   12.637   38.618   16.053   79.968   11.661 -41.35029 19.84148 
1 1 1  -32   12   65 o   37.685   14.976   8.4674   11.435   0.0000   0.0000   8.4674   11.435  ?   ?    37.685   14.976      ?      ? 
1 1 1  -32   12   66 o   38.202   15.472   8.3209   12.451   0.0000   0.0000   8.3209   12.451  ?   ?    38.202   15.472      ?      ? 
1 1 1  -32   12   67 o   35.521   15.347   3.4831   13.518   3.4831   13.518   0.0000   0.0000   35.521   15.347  ?   ?       ?      ? 
1 1 1  -32   12   68 o   77.987   15.091   49.747   15.372   49.747   15.372   0.0000   0.0000   77.987   15.091  ?   ?       ?      ? 
1 1 1  -32   12   69 o   64.274   10.337   34.832   9.9096   13.987   14.053   55.450   13.976   43.224   16.772   85.324   12.087 -42.10006 20.67367 
1 1 1  -32   12   70 o   30.139   13.493  -1.0407   11.344   0.0000   0.0000  -1.0407   11.344  ?   ?    30.139   13.493      ?      ? 
1 1 1  -32   12   71 o   86.067   12.683   57.688   14.792   0.0000   0.0000   57.688   14.792  ?   ?    86.067   12.683      ?      ? 
1 1 1  -32   12   72 f   61.945   16.075   33.644   13.611   0.0000   0.0000   33.644   13.611  ?   ?    61.945   16.075      ?      ? 
1 1 1  -32   12   73 o   35.318   14.883   6.2936   12.159   0.0000   0.0000   6.2936   12.159  ?   ?    35.318   14.883      ?      ? 
1 1 1  -32   12   74 o   62.084   16.406   34.943   14.011   0.0000   0.0000   34.943   14.011  ?   ?    62.084   16.406      ?      ? 
1 1 1  -32   13    1 o   81.597   13.023   47.216   14.400   47.216   14.400   0.0000   0.0000   81.597   13.023  ?   ?       ?      ? 
1 1 1  -32   13    2 o   36.542   6.7113   9.3425   3.4346   6.2700   4.6407   13.064   5.1072   30.425   9.8564   42.659   9.1114 -12.23462 13.42256 
1 1 1  -32   13    3 o  105.742   5.1027   77.783   7.1566   82.384   9.3876   71.398   11.058  109.691   6.3154  101.793   8.0166 7.898285 10.20535 
1 1 1  -32   13    4 o  201.891   6.4671  281.417   17.249  285.500   27.728  278.839   22.031  202.613   10.099  201.168   8.0815 1.444839 12.93422 
1 1 1  -32   13    5 o  203.249   5.1974  285.708   13.969  293.289   18.035  274.341   22.084  206.966   6.4304  199.533   8.1672 7.432999 10.39482 
1 1 1  -32   13    6 o  137.588   5.0334  128.910   9.3095  122.582   12.289  137.430   14.261  133.736   6.7811  141.440   7.4402 -7.704178 10.06678 
1 1 1  -32   13    7 o  246.722   5.4831  418.848   17.783  419.725   22.586  417.416   28.846  247.506   6.7339  245.938   8.6553 1.568802 10.96629 
1 1 1  -32   13    8 o   70.301   9.0847   34.161   8.6547   34.161   8.6547   0.0000   0.0000   70.301   9.0847  ?   ?       ?      ? 
1 1 1  -32   13    9 o  123.217   5.2369  104.438   8.7074  106.706   11.861  101.787   12.823  124.754   7.0160  121.681   7.7766 3.072716 10.47378 
1 1 1  -32   13   10 o  112.723   5.4675   87.274   8.3464   86.002   11.565   88.658   12.058  111.887   7.6276  113.558   7.8354 -1.671608 10.93496 
1 1 1  -32   13   11 o  175.334   5.2727  212.630   12.379  223.169   16.545  199.229   18.656  180.509   6.7637  170.160   8.0907 10.34947 10.54550 
1 1 1  -32   13   12 o  133.345   5.3714  122.133   9.6816  122.393   13.240  121.835   14.194  133.562   7.3150  133.128   7.8677 0.4341583 10.74289 
1 1 1  -32   13   13 f   93.331   5.9880   60.216   7.5463   56.277   10.885   63.860   10.471   90.303   8.8952   96.359   8.0188 -6.056152 11.97604 
1 1 1  -32   13   14 o  145.772   6.7233  140.889   12.613  166.640   22.256  128.705   15.309  154.805   10.609  136.739   8.2615 18.06601 13.44652 
1 1 1  -32   13   15 o   84.667   6.2252   49.984   7.0479   41.522   10.094   58.033   9.8451   77.452   9.6172   91.881   7.9070 -14.42821 12.45035 
1 1 1  -32   13   16 o  125.378   5.4709  107.354   9.2633   96.293   12.601  120.361   13.664  118.366   7.8559  132.390   7.6162 -14.02467 10.94174 
1 1 1  -32   13   17 o   87.061   7.2476   48.722   8.2156   68.757   14.201   38.642   10.072   99.459   10.536   74.663   9.9552 24.79618 14.49529 
1 1 1  -32   13   18 o  151.384   5.3955  155.546   11.001  135.951   14.714  180.385   16.566  140.675   7.7182  162.092   7.5417 -21.41672 10.79107 
1 1 1  -32   13   19 o   82.415   8.0233   46.715   8.9607   46.715   8.9607   0.0000   0.0000   82.415   8.0233  ?   ?       ?      ? 
1 1 1  -32   13   20 o  137.413   5.1172  127.219   9.2162  120.912   11.518  138.444   15.365  132.947   6.3933  141.879   7.9917 -8.932571 10.23432 
1 1 1  -32   13   21 o  185.988   5.0155  233.926   12.002  227.094   14.713  247.510   20.747  182.309   5.9555  189.667   8.0719 -7.357986 10.03109 
1 1 1  -32   13   22 o  106.731   5.4158   76.683   7.6892   70.541   9.8217   86.409   12.359  101.417   7.1465  112.045   8.1395 -10.62792 10.83160 
1 1 1  -32   13   23 o  114.677   5.3304   88.827   8.0632   84.125   10.174   96.769   13.222  110.813   6.7751  118.541   8.2311 -7.727684 10.66077 
1 1 1  -32   13   24 o   51.356   8.5529   19.051   5.8638   16.216   7.9891   22.362   8.6336   47.190   12.350   55.523   11.836 -8.333069 17.10584 
1 1 1  -32   13   25 o  243.573   5.3300  408.084   16.344  408.882   19.774  406.363   29.039  244.580   5.9661  242.567   8.8342 2.012863 10.66007 
1 1 1  -32   13   26 o  145.532   5.1003  142.670   9.7082  135.531   12.095  155.596   16.276  140.723   6.3427  150.341   7.9889 -9.617981 10.20065 
1 1 1  -32   13   27 o  202.952   5.5989  280.921   15.244  266.119   19.979  301.547   23.585  196.780   7.4921  209.125   8.3223 -12.34500 11.19781 
1 1 1  -32   13   28 o  199.662   5.6570  273.976   15.173  270.018   20.110  279.206   23.118  198.193   7.4876  201.130   8.4819 -2.936340 11.31404 
1 1 1  -32   13   29 o  109.681   5.4938   80.715   7.9702   73.845   10.058   92.310   13.067  103.698   7.1574  115.665   8.3366 -11.96712 10.98761 
1 1 1  -32   13   30 o   32.261   8.6626   4.0087   5.6964   9.9591   7.8643  -2.5592   8.2623   38.381   12.849   26.141   11.622 12.24029 17.32523 
1 1 1  -32   13   31 o   71.511   6.8827   34.984   6.6065   31.564   8.6454   39.785   10.242   67.428   9.4615   75.595   9.9982 -8.166656 13.76535 
1 1 1  -32   13   32 o   93.592   6.3501   63.278   7.6693   72.645   9.9748   49.734   11.994  102.805   7.1598   84.378   10.490 18.42712 12.70024 
1 1 1  -32   13   33 o  115.522   6.8657   91.654   10.748   91.654   10.748   0.0000   0.0000  115.522   6.8657  ?   ?       ?      ? 
1 1 1  -32   13   34 o  107.261   7.0577   79.103   10.259   79.103   10.259   0.0000   0.0000  107.261   7.0577  ?   ?       ?      ? 
1 1 1  -32   13   35 f   95.313   6.2959   65.439   7.6948   72.245   9.7792   54.377   12.468  102.490   7.0411   88.136   10.439 14.35331 12.59190 
1 1 1  -32   13   36 o  121.812   5.6633  104.866   8.8769  110.792   11.144   94.575   14.684  127.043   6.4728  116.580   9.2949 10.46346 11.32663 
1 1 1  -32   13   37 o   68.972   7.1581   32.978   6.6095   31.351   8.6150   35.307   10.305   67.058   9.4802   70.885   10.728 -3.826134 14.31626 
1 1 1  -32   13   38 o   66.110   7.8042   32.223   6.5844   36.618   8.6856   26.284   10.096   72.581   8.8307   59.639   12.870 12.94218 15.60840 
1 1 1  -32   13   39 o   70.227   7.0912   34.145   6.6833   31.692   8.7515   37.577   10.352   67.338   9.5904   73.116   10.448 -5.778198 14.18237 
1 1 1  -32   13   40 o   76.216   6.9404   40.983   7.0343   42.347   9.2096   39.075   10.898   78.015   8.7112   74.418   10.807 3.597343 13.88074 
1 1 1  -32   13   41 o   77.382   6.8686   42.083   7.0737   42.592   9.2190   41.353   11.030   78.209   8.6986   76.555   10.632 1.653770 13.73730 
1 1 1  -32   13   42 o  105.854   6.4692   77.716   9.2203   66.457   12.501   91.151   13.655   97.394   9.4714  114.315   8.8144 -16.92038 12.93836 
1 1 1  -32   13   43 f   47.293   10.018   16.678   6.9277   16.086   9.8611   17.255   9.7346   46.565   14.274   48.021   14.060 -1.456196 20.03568 
1 1 1  -32   13   44 o   54.776   9.4620   22.557   7.0346   17.828   9.8026   27.578   10.101   48.684   14.067   60.869   12.658 -12.18534 18.92402 
1 1 1  -32   13   45 o   67.604   8.3576   32.722   7.4008   25.836   9.8761   41.541   11.177   58.767   12.767   76.441   10.790 -17.67399 16.71523 
1 1 1  -32   13   46 o   95.459   6.7190   62.685   8.5887   52.931   11.212   76.535   13.361   86.667   9.5470  104.252   9.4572 -17.58484 13.43809 
1 1 1  -32   13   47 o  102.973   8.5352   74.237   11.910   74.237   11.910   0.0000   0.0000  102.973   8.5352  ?   ?       ?      ? 
1 1 1  -32   13   48 o   57.419   12.770   24.868   9.6795   24.868   9.6795   0.0000   0.0000   57.419   12.770  ?   ?       ?      ? 
1 1 1  -32   13   49 o  112.230   6.2975   86.362   9.4478   74.044   12.218  104.682   14.900  102.594   8.7881  121.866   9.0223 -19.27181 12.59497 
1 1 1  -32   13   50 o   31.248   9.1750   2.7289   6.4736   5.2510   8.9378  -0.0542   9.3889   33.236   13.230   29.261   12.716 3.975315 18.34993 
1 1 1  -32   13   51 o   53.478   8.9800   22.607   7.1173   33.491   9.5722   9.1496   10.644   68.376   10.331   38.579   14.692 29.79757 17.96009 
1 1 1  -32   13   52 o   44.757   10.095   15.261   6.8992   16.155   9.1504   14.083   10.503   45.912   13.681   43.603   14.848 2.309143 20.18965 
1 1 1  -32   13   53 o   55.685   9.4519   23.218   7.1533   15.989   9.4638   32.852   10.925   45.609   13.984   65.761   12.720 -20.15208 18.90379 
1 1 1  -32   13   54 o   47.520   10.672   17.965   8.0591   10.917   12.858   22.526   10.343   41.456   16.055   53.585   14.065 -12.12845 21.34469 
1 1 1  -32   13   55 o   68.836   10.120   39.363   9.1412   25.132   14.262   49.287   11.909   55.236   17.205   82.436   10.661 -27.19949 20.24046 
1 1 1  -32   13   56 o   59.872   13.833   28.122   10.998   0.0000   0.0000   28.122   10.998  ?   ?    59.872   13.833      ?      ? 
1 1 1  -32   13   57 o   58.340   10.266   28.709   8.9264   13.561   14.009   39.063   11.582   43.995   16.831   72.685   11.759 -28.68987 20.53159 
1 1 1  -32   13   58 o   65.944   10.732   35.349   9.2903   33.354   14.546   36.724   12.074   63.219   16.722   68.670   13.456 -5.451782 21.46310 
1 1 1  -32   13   59 o  138.629   7.4405  142.150   13.741  124.146   20.397  157.114   18.595  129.371   11.634  147.886   9.2785 -18.51482 14.88101 
1 1 1  -32   13   60 o   65.899   10.770   35.698   9.3498   32.963   14.516   37.636   12.223   62.498   16.784   69.300   13.501 -6.801601 21.54027 
1 1 1  -32   13   61 o   27.766   12.997  -8.4151   12.228  -8.4151   12.228   0.0000   0.0000   27.766   12.997  ?   ?       ?      ? 
1 1 1  -32   13   62 f   68.629   16.573   39.724   15.239   39.724   15.239   0.0000   0.0000   68.629   16.573  ?   ?       ?      ? 
1 1 1  -32   13   63 o   31.407   9.7104  -0.1617   8.1681  -7.8697   12.489   5.5996   10.797   28.236   13.191   34.578   14.254 -6.341949 19.42086 
1 1 1  -32   13   64 o   42.050   10.979   11.686   8.4859   20.785   13.154   5.1993   11.106   49.642   16.618   34.459   14.351 15.18222 21.95707 
1 1 1  -32   13   65 o   46.324   10.883   17.186   8.8556   5.9200   13.284   26.199   11.881   36.741   15.523   55.907   15.257 -19.16531 21.76521 
1 1 1  -32   13   66 o   35.952   10.476   5.7401   8.6345  -1.4901   12.711   11.935   11.766   31.465   14.169   40.439   15.436 -8.974277 20.95248 
1 1 1  -32   13   67 o   38.584   10.928   9.6375   8.7518   6.7947   13.027   11.976   11.816   36.845   15.459   40.323   15.450 -3.477985 21.85563 
1 1 1  -32   13   68 o   38.842   15.439   10.327   12.157   0.0000   0.0000   10.327   12.157  ?   ?    38.842   15.439      ?      ? 
1 1 1  -32   13   69 o   82.189   13.203   53.691   14.705   0.0000   0.0000   53.691   14.705  ?   ?    82.189   13.203      ?      ? 
1 1 1  -32   13   70 o   43.474   16.058   15.949   12.507   0.0000   0.0000   15.949   12.507  ?   ?    43.474   16.058      ?      ? 
1 1 1  -32   13   71 o   33.623   14.606   3.9928   12.376   0.0000   0.0000   3.9928   12.376  ?   ?    33.623   14.606      ?      ? 
1 1 1  -32   13   72 o   51.398   17.301   25.404   14.259   0.0000   0.0000   25.404   14.259  ?   ?    51.398   17.301      ?      ? 
1 1 1  -32   14    1 o   65.869   10.670   30.615   9.5238   30.615   9.5238   0.0000   0.0000   65.869   10.670  ?   ?       ?      ? 
1 1 1  -32   14    2 o  197.070   4.6514  260.969   11.440  251.635   13.621  283.317   21.077  191.775   5.2412  202.364   7.6859 -10.58899 9.302840 
1 1 1  -32   14    3 o   84.340   4.9482   48.500   5.4466   47.128   6.7969   50.962   9.1048   82.870   6.0524   85.810   7.8298 -2.940392 9.896314 
1 1 1  -32   14    4 o   52.543   8.1334   20.487   5.6147   17.309   9.0032   22.509   7.1825   48.294   13.323   56.793   9.3326 -8.498562 16.26675 
1 1 1  -32   14    5 o  160.866   4.7705  176.516   9.7309  173.752   11.797  182.400   17.214  159.333   5.4635  162.400   7.8218 -3.066727 9.540932 
1 1 1  -32   14    6 o   89.679   5.1324   53.410   6.1097   45.568   7.7469   66.313   9.9373   81.340   7.0281   98.018   7.4814 -16.67751 10.26478 
1 1 1  -32   14    7 f  124.856   5.8858  106.830   9.9585  106.830   9.9585   0.0000   0.0000  124.856   5.8858  ?   ?       ?      ? 
1 1 1  -32   14    8 o   96.393   5.2519   63.409   6.7499   60.496   8.7108   67.788   10.679   93.777   6.8546   99.008   7.9590 -5.231621 10.50383 
1 1 1  -32   14    9 o  183.056   4.8696  229.099   11.377  226.325   13.890  234.755   19.833  181.837   5.6368  184.276   7.9423 -2.439041 9.739298 
1 1 1  -32   14   10 o   72.404   6.1851   36.262   6.0547   34.629   8.2297   38.189   8.9394   70.663   8.5944   74.145   8.8970 -3.481834 12.37013 
1 1 1  -32   14   11 o  213.593   5.0745  314.932   13.706  316.369   16.660  311.923   24.111  214.974   5.7189  212.213   8.3843 2.760895 10.14898 
1 1 1  -32   14   12 o   53.281   7.8420   20.481   5.5838   25.219   7.9433   15.852   7.8510   60.117   9.7504   46.444   12.285 13.67237 15.68400 
1 1 1  -32   14   13 o  207.462   8.3294  297.955   23.417   0.0000   0.0000  297.955   23.417  ?   ?   207.462   8.3294      ?      ? 
1 1 1  -32   14   14 o  113.831   5.1747   87.071   7.8259   78.904   9.9557  100.278   12.661  107.131   6.8576  120.531   7.7513 -13.40022 10.34936 
1 1 1  -32   14   15 o   89.374   5.6540   55.099   6.7550   54.600   8.8403   55.799   10.472   89.028   7.3275   89.719   8.6128 -0.6912994 11.30808 
1 1 1  -32   14   16 o   38.069   7.5726   9.4199   4.8246   0.3696   6.8843   18.155   6.7634   26.047   11.097   50.091   10.307 -24.04492 15.14529 
1 1 1  -32   14   17 o   86.651   6.0785   54.478   6.7882   64.586   8.9463   40.762   10.422   96.935   6.8105   76.368   10.070 20.56784 12.15701 
1 1 1  -32   14   18 o  112.830   6.7129   87.470   10.264   87.470   10.264   0.0000   0.0000  112.830   6.7129  ?   ?       ?      ? 
1 1 1  -32   14   19 o  200.651   5.1346  270.550   12.981  259.554   15.562  295.707   23.538  194.665   5.8991  206.637   8.4058 -11.97258 10.26925 
1 1 1  -32   14   20 o   67.023   6.9216   31.231   6.2603   30.076   8.4163   32.661   9.3664   65.708   9.4519   68.338   10.114 -2.629517 13.84314 
1 1 1  -32   14   21 o  223.639   5.3641  355.173   15.044  374.314   18.414  316.753   26.088  233.794   5.8120  213.485   9.0175 20.30859 10.72826 
1 1 1  -32   14   22 o   67.517   7.7100   33.574   6.6165   38.192   8.7028   27.248   10.185   74.197   8.6555   60.838   12.762 13.35818 15.41993 
1 1 1  -32   14   23 o  181.369   5.1485  226.793   11.907  227.016   14.573  226.346   20.653  182.023   5.9081  180.716   8.4334 1.307159 10.29695 
1 1 1  -32   14   24 o   96.375   5.7177   63.566   7.3721   60.105   9.5818   68.587   11.541   93.317   7.5771   99.432   8.5649 -6.114616 11.43545 
1 1 1  -32   14   25 o  130.273   5.1628  114.112   8.8174  106.257   10.988  128.314   14.776  124.361   6.5203  136.184   8.0065 -11.82272 10.32563 
1 1 1  -32   14   26 o  100.602   6.4612   70.754   8.7454   80.515   12.398   61.087   12.338  107.720   8.4930   93.483   9.7395 14.23721 12.92239 
1 1 1  -32   14   27 o  166.461   5.7456  193.999   12.808  211.835   17.410  172.960   18.908  175.229   7.3317  157.694   8.8483 17.53487 11.49111 
1 1 1  -32   14   28 o   45.246   9.0019   15.100   5.7475   15.583   7.8400   14.538   8.4509   45.964   12.331   44.529   13.118 1.434559 18.00370 
1 1 1  -32   14   29 o   85.778   6.2973   52.235   7.0974   56.187   9.2173   46.479   11.124   90.170   7.5433   81.387   10.086 8.782524 12.59461 
1 1 1  -32   14   30 o  199.694   5.2273  274.477   13.257  272.628   16.133  278.321   23.263  199.326   5.9728  200.063   8.5805 -0.7375183 10.45461 
1 1 1  -32   14   31 o   50.880   8.0670   17.748   5.9669   6.7326   7.9371   32.065   9.0487   34.157   12.757   67.602   9.8774 -33.44471 16.13392 
1 1 1  -32   14   32 o  111.747   6.8619   86.091   10.391   86.091   10.391   0.0000   0.0000  111.747   6.8619  ?   ?       ?      ? 
1 1 1  -32   14   33 o  103.982   5.6752   72.695   7.7588   65.973   9.6817   84.760   12.971   97.687   7.3137  110.278   8.6799 -12.59103 11.35032 
1 1 1  -32   14   34 o   81.754   6.5773   48.116   6.9740   52.356   8.9374   41.515   11.151   86.936   7.5863   76.573   10.747 10.36233 13.15452 
1 1 1  -32   14   35 f   63.611   8.2647   29.545   6.9223   31.742   9.4710   27.025   10.143   67.007   10.430   60.215   12.823 6.791626 16.52932 
1 1 1  -32   14   36 o   89.755   6.6329   55.336   7.9111   42.097   10.458   73.049   12.097   77.261   9.9883  102.250   8.7301 -24.98887 13.26572 
1 1 1  -32   14   37 o  100.385   6.5622   71.803   8.7658   78.625   11.746   63.229   13.169  106.245   8.1584   94.524   10.281 11.72152 13.12439 
1 1 1  -32   14   38 o  167.016   5.7265  194.105   12.757  192.902   16.622  195.830   19.899  166.791   7.3540  167.241   8.7801 -0.4498138 11.45302 
1 1 1  -32   14   39 o   96.615   6.5473   65.234   8.5398   60.844   11.483   70.667   12.774   93.060   9.1057  100.169   9.4104 -7.109688 13.09463 
1 1 1  -32   14   40 o  117.643   6.1187   96.187   9.6922   90.217   12.860  104.035   14.746  113.586   8.3550  121.700   8.9413 -8.114517 12.23737 
1 1 1  -32   14   41 f   58.096   10.139   27.423   8.3602   15.737   13.646   34.445   10.578   46.943   16.856   69.248   11.272 -22.30539 20.27769 
1 1 1  -32   14   42 o   61.196   8.8806   27.823   7.1044   23.413   9.5705   33.237   10.603   55.561   12.950   66.832   12.155 -11.27117 17.76129 
1 1 1  -32   14   43 o   81.771   7.2684   47.439   8.0045   45.301   10.653   50.212   12.130   79.837   9.8466   83.704   10.694 -3.866814 14.53684 
1 1 1  -32   14   44 o   92.758   6.8788   61.543   8.5754   65.106   11.653   57.334   12.665   96.038   8.9536   89.478   10.445 6.559975 13.75757 
1 1 1  -32   14   45 f   90.425   6.7886   56.901   8.2258   47.758   10.796   69.553   12.700   81.894   9.7282   98.956   9.4710 -17.06119 13.57712 
1 1 1  -32   14   46 o   39.774   13.898   11.206   9.2232   11.206   9.2232   0.0000   0.0000   39.774   13.898  ?   ?       ?      ? 
1 1 1  -32   14   47 o  119.202   6.3454   98.745   10.082   90.411   12.935  111.644   16.092  113.230   8.4300  125.175   9.4864 -11.94477 12.69085 
1 1 1  -32   14   48 o   78.216   8.8337   44.155   9.1715   50.955   14.869   39.979   11.652   82.516   13.297   73.915   11.633 8.600777 17.66747 
1 1 1  -32   14   49 f   51.482   9.4273   21.690   8.1383   1.9245   13.254   33.653   10.311   35.035   15.167   67.929   11.201 -32.89361 18.85458 
1 1 1  -32   14   50 o  108.608   7.9507   89.371   11.159   70.663   17.251  102.830   14.632   97.025   13.120  120.192   8.9837 -23.16699 15.90141 
1 1 1  -32   14   51 o  117.550   7.3993   98.862   11.647  109.099   18.212   91.779   15.150  122.225   10.995  112.875   9.9043 9.349319 14.79851 
1 1 1  -32   14   52 o   41.065   10.601   12.074   7.5529   10.324   12.701   13.032   9.3947   40.522   15.883   41.607   14.043 -1.085373 21.20102 
1 1 1  -32   14   53 o   53.992   10.117   24.794   8.2128   11.414   13.004   33.672   10.593   41.545   16.130   66.439   12.215 -24.89401 20.23350 
1 1 1  -32   14   54 o   63.390   13.373   31.445   11.126   0.0000   0.0000   31.445   11.126  ?   ?    63.390   13.373      ?      ? 
1 1 1  -32   14   55 o   62.684   13.850   31.134   11.451   0.0000   0.0000   31.134   11.451  ?   ?    62.684   13.850      ?      ? 
1 1 1  -32   14   56 o   51.208   10.593   22.025   8.5475   10.558   13.231   30.238   11.198   40.682   16.127   61.734   13.739 -21.05252 21.18582 
1 1 1  -32   14   57 o   62.591   10.305   33.392   9.3236   16.619   14.008   46.734   12.493   46.071   16.998   79.111   11.653 -33.04039 20.60928 
1 1 1  -32   14   58 o   45.483   9.9881   15.697   8.2716  -0.8225   12.756   27.684   10.866   32.221   14.375   58.744   13.871 -26.52375 19.97610 
1 1 1  -32   14   59 o   45.654   11.109   14.971   8.5390   25.505   13.483   7.9166   11.034   54.593   16.684   36.715   14.672 17.87792 22.21754 
1 1 1  -32   14   60 o   58.825   16.965   30.044   14.269   30.044   14.269   0.0000   0.0000   58.825   16.965  ?   ?       ?      ? 
1 1 1  -32   14   61 o   29.776   9.4363  -1.8357   7.9880  -6.7439   12.141   1.9111   10.607   28.180   13.111   31.373   13.575 -3.193533 18.87261 
1 1 1  -32   14   62 o   63.093   11.132   34.705   9.7886   24.565   14.351   43.528   13.386   52.736   17.346   73.450   13.959 -20.71396 22.26497 
1 1 1  -32   14   63 o   39.150   10.721   10.186   8.5281   3.0616   12.678   16.075   11.526   34.026   14.781   44.273   15.532 -10.24765 21.44138 
1 1 1  -32   14   64 o   42.624   11.258   14.401   8.8868   10.620   13.158   17.573   12.051   39.617   15.954   45.632   15.889 -6.014988 22.51659 
1 1 1  -32   14   65 o   46.361   11.258   18.078   9.1924   8.8046   13.432   26.247   12.607   38.184   15.833   54.538   16.009 -16.35353 22.51605 
1 1 1  -32   14   66 o   24.470   8.3128 -11.8588   7.9686 -12.2435   11.985 -11.5541   10.668   25.207   12.102   23.733   11.400 1.474110 16.62559 
1 1 1  -32   14   67 o   42.537   15.775   15.220   12.095   0.0000   0.0000   15.220   12.095  ?   ?    42.537   15.775      ?      ? 
1 1 1  -32   14   68 o   66.717   16.156   40.179   14.451   0.0000   0.0000   40.179   14.451  ?   ?    66.717   16.156      ?      ? 
1 1 1  -32   14   69 o   58.925   17.048   33.209   14.388   0.0000   0.0000   33.209   14.388  ?   ?    58.925   17.048      ?      ? 
1 1 1  -32   14   70 o   47.371   16.599   21.520   13.161   0.0000   0.0000   21.520   13.161  ?   ?    47.371   16.599      ?      ? 
1 1 1  -32   14   71 o   39.119   15.957   12.558   13.356   0.0000   0.0000   12.558   13.356  ?   ?    39.119   15.957      ?      ? 
1 1 1  -32   15    1 o   41.379   15.557   10.902   11.842   10.902   11.842   0.0000   0.0000   41.379   15.557  ?   ?       ?      ? 
1 1 1  -32   15    2 o  104.598   11.569   78.797   16.398   78.797   16.398   0.0000   0.0000  104.598   11.569  ?   ?       ?      ? 
1 1 1  -32   15    3 o  107.814   8.1004   81.150   11.835   81.150   11.835   0.0000   0.0000  107.814   8.1004  ?   ?       ?      ? 
1 1 1  -32   15    4 o   91.145   8.7590   58.254   10.819   58.254   10.819   0.0000   0.0000   91.145   8.7590  ?   ?       ?      ? 
1 1 1  -32   15    5 o   62.524   6.2105   26.096   5.1341   21.134   6.4760   34.492   8.4234   54.924   8.7009   70.124   8.8642 -15.19979 12.42091 
1 1 1  -32   15    6 o   30.129   10.820   5.6584   5.6231   5.6584   5.6231   0.0000   0.0000   30.129   10.820  ?   ?       ?      ? 
1 1 1  -32   15    7 o   41.382   8.1712   12.714   4.7442   13.354   6.2768   11.860   7.2457   42.517   10.856   40.248   12.215 2.269409 16.34235 
1 1 1  -32   15    8 o  120.230   6.1997  102.289   9.9730   91.673   14.796  111.128   13.501  114.080   9.5709  126.379   7.8831 -12.29940 12.39942 
1 1 1  -32   15    9 o  112.847   6.3947   91.448   9.5221   74.679   14.221  105.075   12.820  102.713   10.217  122.981   7.6924 -20.26817 12.78932 
1 1 1  -32   15   10 o   89.332   5.4479   54.000   6.4855   47.956   8.3007   63.472   10.391   83.177   7.3643   95.488   8.0304 -12.31127 10.89584 
1 1 1  -32   15   11 o   57.446   7.2292   23.412   5.4549   18.789   7.3342   29.136   8.1605   50.493   11.027   64.399   9.3510 -13.90617 14.45842 
1 1 1  -32   15   12 o  133.897   5.6861  125.024   10.295  131.173   14.354  118.511   14.772  137.438   7.7071  130.356   8.3623 7.081955 11.37225 
1 1 1  -32   15   13 o  115.640   5.1530   90.768   7.8273   85.486   9.8022  100.063   13.003  111.347   6.4962  119.933   8.0007 -8.585251 10.30592 
1 1 1  -32   15   14 o  131.289   4.9930  114.172   8.5577  101.772   10.545  138.098   14.647  121.526   6.4029  141.052   7.6630 -19.52622 9.985935 
1 1 1  -32   15   15 o  116.288   5.2953   94.816   7.9811   97.644   10.024   89.919   13.192  119.096   6.2108  113.479   8.5782 5.616631 10.59058 
1 1 1  -32   15   16 o   47.088   8.4092   16.186   5.3828   13.070   7.2030   20.127   8.1008   42.083   12.028   52.093   11.755 -10.01051 16.81831 
1 1 1  -32   15   17 f  103.878   6.8255   74.528   9.6082   74.528   9.6082   0.0000   0.0000  103.878   6.8255  ?   ?       ?      ? 
1 1 1  -32   15   18 o  133.250   5.0079  117.490   8.7047  104.571   10.712  142.599   14.935  123.181   6.4175  143.320   7.6897 -20.13921 10.01574 
1 1 1  -32   15   19 o  108.149   5.9253   81.729   8.6528   83.761   11.845   79.403   12.671  109.742   7.9648  106.556   8.7749 3.186203 11.85063 
1 1 1  -32   15   20 o  130.645   5.5739  116.943   9.7950  103.927   12.945  134.374   14.981  122.294   7.8114  138.995   7.9534 -16.70121 11.14786 
1 1 1  -32   15   21 o   36.101   9.2208   8.2466   5.8584   5.9064   8.6198   10.256   7.9864   33.818   13.132   38.384   12.948 -4.565453 18.44170 
1 1 1  -32   15   22 o   95.849   6.2631   63.517   8.0331   50.917   10.783   79.233   12.043   85.122   9.3476  106.576   8.3383 -21.45343 12.52622 
1 1 1  -32   15   23 o  119.418   5.8708   97.899   9.4247   85.166   12.464  114.901   14.402  110.485   8.3246  128.351   8.2805 -17.86596 11.74161 
1 1 1  -32   15   24 o  125.899   5.6815  108.235   9.5852   96.238   12.471  125.550   14.983  117.631   7.8236  134.167   8.2407 -16.53576 11.36298 
1 1 1  -32   15   25 o   47.949   10.290   13.703   7.3702   29.133   13.009   6.4097   8.9441   61.256   15.623   34.643   13.398 26.61238 20.58067 
1 1 1  -32   15   26 o   31.088   8.3489   2.8046   5.5528  -5.4628   7.9336   10.744   7.7746   23.321   10.762   38.855   12.767 -15.53430 16.69783 
1 1 1  -32   15   27 o   52.050   9.0847   20.434   6.3690   20.576   8.9379   20.286   9.0779   52.267   12.736   51.833   12.959 0.4339256 18.16943 
1 1 1  -32   15   28 o   94.366   6.4469   61.599   8.1026   47.524   10.802   79.704   12.252   82.003   9.7208  106.729   8.4708 -24.72578 12.89376 
1 1 1  -32   15   29 o  109.622   5.9883   83.195   8.8374   76.241   11.706   92.409   13.475  104.436   8.2715  114.808   8.6614 -10.37191 11.97656 
1 1 1  -32   15   30 o  107.341   8.1949   80.538   11.920   80.538   11.920   0.0000   0.0000  107.341   8.1949  ?   ?       ?      ? 
1 1 1  -32   15   31 o   69.678   9.9714   34.463   9.4153   34.463   9.4153   0.0000   0.0000   69.678   9.9714  ?   ?       ?      ? 
1 1 1  -32   15   32 o   96.504   6.2919   64.099   8.1303   53.063   10.679   79.317   12.540   86.765   9.0823  106.244   8.7099 -19.47934 12.58374 
1 1 1  -32   15   33 o   67.870   8.0966   33.955   7.2009   37.394   9.9136   30.114   10.477   72.471   10.094   63.269   12.662 9.201775 16.19313 
1 1 1  -32   15   34 o  103.764   6.4335   77.135   8.8957   85.760   12.047   66.796   13.191  110.700   8.0308   96.828   10.053 13.87242 12.86701 
1 1 1  -32   15   35 o   89.142   6.7033   55.968   8.0653   52.024   10.832   60.876   12.082   85.706   9.3264   92.578   9.6309 -6.872215 13.40652 
1 1 1  -32   15   36 f   81.675   7.4442   47.022   7.7266   32.024   10.157   67.624   11.904   65.526   11.876   97.825   8.9795 -32.29960 14.88841 
1 1 1  -32   15   37 o   92.556   6.8752   61.807   8.4722   66.696   11.309   55.553   12.790   97.284   8.5783   87.829   10.746 9.455544 13.75037 
1 1 1  -32   15   38 o  126.552   6.0000  112.919   10.120  113.187   13.199  112.537   15.764  127.187   7.6582  125.917   9.2386 1.269348 11.99998 
1 1 1  -32   15   39 o   48.831   10.149   12.519   7.8358   35.782   13.879   1.6343   9.4936   67.091   15.566   30.570   13.028 36.52160 20.29845 
1 1 1  -32   15   40 o   57.152   10.463   26.464   8.1970   21.627   12.957   29.692   10.584   52.009   16.430   62.296   12.960 -10.28690 20.92601 
1 1 1  -32   15   41 o   62.334   10.036   30.408   8.1785   30.256   12.846   30.511   10.606   61.487   15.439   63.180   12.825 -1.693123 20.07117 
1 1 1  -32   15   42 o   45.414   9.8513   16.198   7.5450   3.5835   12.203   24.003   9.5996   35.058   14.849   55.771   12.950 -20.71319 19.70252 
1 1 1  -32   15   43 o   79.721   8.6568   46.472   9.2126   50.754   14.543   43.602   11.906   82.287   13.042   77.155   11.388 5.132500 17.31358 
1 1 1  -32   15   44 o  128.995   7.2951  120.135   12.687  123.112   19.005  117.743   17.039  130.053   10.784  127.937   9.8280 2.116516 14.59016 
1 1 1  -32   15   45 o   36.438   14.964   6.1034   11.845   6.1034   11.845   0.0000   0.0000   36.438   14.964  ?   ?       ?      ? 
1 1 1  -32   15   46 o   90.009   8.6119   62.209   9.8918   49.008   14.613   73.372   13.439   79.161   14.141  100.858   9.8324 -21.69698 17.22373 
1 1 1  -32   15   47 o   64.883   9.1413   36.957   9.0144   4.2988   13.618   62.430   12.027   36.617   15.604   93.149   9.5276 -56.53124 18.28250 
1 1 1  -32   15   48 o   66.342   9.9772   36.196   8.7791   25.413   13.471   44.155   11.575   55.170   16.636   77.515   11.019 -22.34455 19.95450 
1 1 1  -32   15   49 o  117.865   7.5504  103.236   11.811   91.366   17.850  112.480   15.752  110.676   11.901  125.055   9.2948 -14.37868 15.10089 
1 1 1  -32   15   50 o   41.816   10.686   13.100   7.8950   8.3638   13.013   15.860   9.9319   38.820   15.783   44.812   14.409 -5.991974 21.37121 
1 1 1  -32   15   51 o   47.734   11.109   18.662   8.3168   16.067   13.529   20.238   10.545   45.507   16.718   49.961   14.635 -4.453190 22.21881 
1 1 1  -32   15   52 f   48.818   10.373   19.840   8.3512   6.9283   13.125   28.624   10.825   37.676   15.639   59.961   13.631 -22.28494 20.74564 
1 1 1  -32   15   53 o  127.003   9.8387  117.503   16.933   0.0000   0.0000  117.503   16.933  ?   ?   127.003   9.8387      ?      ? 
1 1 1  -32   15   54 o   40.271   10.255   10.589   8.2458  -2.6108   12.761   20.053   10.805   31.145   14.094   49.398   14.900 -18.25207 20.50991 
1 1 1  -32   15   55 o   77.076   9.8695   48.281   9.8128   37.982   14.575   56.819   13.271   66.951   16.233   87.202   11.231 -20.25088 19.73904 
1 1 1  -32   15   56 o   40.871   10.913   12.295   8.2593   11.381   12.334   13.039   11.121   40.347   15.697   41.395   15.165 -1.047852 21.82606 
1 1 1  -32   15   57 o   34.832   9.9578   4.9116   7.8855  -4.0664   11.512   12.849   10.824   28.680   13.135   40.985   14.970 -12.30487 19.91553 
1 1 1  -32   15   58 o   35.311   14.953   5.3013   12.373   5.3013   12.373   0.0000   0.0000   35.311   14.953  ?   ?       ?      ? 
1 1 1  -32   15   59 f   40.063   16.051   11.043   13.243   11.043   13.243   0.0000   0.0000   40.063   16.051  ?   ?       ?      ? 
1 1 1  -32   15   60 o   41.426   11.282   12.912   8.9742   16.363   13.166   9.9178   12.265   44.380   16.459   38.472   15.435 5.908115 22.56381 
1 1 1  -32   15   61 o   39.234   11.028   10.906   8.7637   12.455   12.791   9.5343   12.032   40.623   15.935   37.845   15.251 2.778076 22.05673 
1 1 1  -32   15   62 o   65.288   10.526   37.856   10.095   17.877   14.424   57.037   14.133   45.284   17.137   85.292   12.227 -40.00768 21.05178 
1 1 1  -32   15   63 o   62.026   10.289   34.036   9.8733   12.902   14.052   54.643   13.876   40.919   16.484   83.132   12.317 -42.21337 20.57775 
1 1 1  -32   15   64 o   37.524   10.773   9.0398   8.9878   1.5698   13.268   15.374   12.218   32.714   14.623   42.334   15.824 -9.620998 21.54600 
1 1 1  -32   15   65 o   37.850   15.558   10.238   12.818   0.0000   0.0000   10.238   12.818  ?   ?    37.850   15.558      ?      ? 
1 1 1  -32   15   66 o   32.371   14.260   3.2888   12.166   0.0000   0.0000   3.2888   12.166  ?   ?    32.371   14.260      ?      ? 
1 1 1  -32   15   67 o   38.915   15.709   12.456   12.788   0.0000   0.0000   12.456   12.788  ?   ?    38.915   15.709      ?      ? 
1 1 1  -32   15   68 o   39.220   15.827   13.278   12.976   0.0000   0.0000   13.278   12.976  ?   ?    39.220   15.827      ?      ? 
1 1 1  -32   15   69 o   44.892   16.395   20.377   12.983   0.0000   0.0000   20.377   12.983  ?   ?    44.892   16.395      ?      ? 
1 1 1  -32   16    1 o  111.949   11.431   91.686   17.341   91.686   17.341   0.0000   0.0000  111.949   11.431  ?   ?       ?      ? 
1 1 1  -32   16    2 o  101.544   11.772   75.696   16.199   75.696   16.199   0.0000   0.0000  101.544   11.772  ?   ?       ?      ? 
1 1 1  -32   16    3 o   53.512   16.172   23.054   12.719   23.054   12.719   0.0000   0.0000   53.512   16.172  ?   ?       ?      ? 
1 1 1  -32   16    6 o   32.520   14.108   0.8597   11.516   0.8597   11.516   0.0000   0.0000   32.520   14.108  ?   ?       ?      ? 
1 1 1  -32   16    7 o   67.277   15.531   35.954   13.872   35.954   13.872   0.0000   0.0000   67.277   15.531  ?   ?       ?      ? 
1 1 1  -32   16    8 o   82.613   13.598   51.077   15.223   51.077   15.223   0.0000   0.0000   82.613   13.598  ?   ?       ?      ? 
1 1 1  -32   16    9 o  139.927   11.077  141.796   21.004  141.796   21.004   0.0000   0.0000  139.927   11.077  ?   ?       ?      ? 
1 1 1  -32   16   10 o   86.604   13.378   55.889   15.700   55.889   15.700   0.0000   0.0000   86.604   13.378  ?   ?       ?      ? 
1 1 1  -32   16   11 f   87.105   8.1384   54.212   9.0820   58.254   15.810   52.222   11.095   88.562   13.174   85.649   9.5595 2.912621 16.27673 
1 1 1  -32   16   12 o   93.446   5.9512   60.153   7.4527   50.630   9.7760   73.367   11.516   84.766   8.5105  102.126   8.3210 -17.36035 11.90242 
1 1 1  -32   16   13 o   79.108   6.5621   44.571   6.9908   46.206   9.4959   42.636   10.330   80.929   8.6586   77.286   9.8628 3.643227 13.12426 
1 1 1  -32   16   14 o   53.325   8.5845   21.597   6.0736   23.664   8.4919   19.433   8.6903   56.219   11.533   50.431   12.718 5.787941 17.16891 
1 1 1  -32   16   15 o  128.083   5.5706  112.814   9.5454  102.366   12.359  128.262   15.028  121.049   7.5340  135.118   8.2075 -14.06884 11.14110 
1 1 1  -32   16   16 o   41.838   12.968   13.111   8.1134   13.111   8.1134   0.0000   0.0000   41.838   12.968  ?   ?       ?      ? 
1 1 1  -32   16   17 o  133.153   5.5494  123.211   9.9115  117.701   13.002  130.853   15.313  129.875   7.3878  136.431   8.2827 -6.556549 11.09882 
1 1 1  -32   16   18 o   52.937   8.7246   21.263   6.1467   19.808   8.5902   22.790   8.7990   50.982   12.524   54.893   12.150 -3.910290 17.44914 
1 1 1  -32   16   19 o   81.528   6.5997   46.767   7.2520   40.824   9.7854   54.008   10.802   75.753   9.5323   87.303   9.1301 -11.54972 13.19937 
1 1 1  -32   16   20 o  102.153   6.0087   72.404   8.2539   63.872   10.903   83.856   12.632   95.235   8.4485  109.072   8.5464 -13.83719 12.01740 
1 1 1  -32   16   21 o   96.075   6.2952   63.324   8.0634   50.996   10.468   81.313   12.645   84.827   9.1064  107.323   8.6943 -22.49539 12.59036 
1 1 1  -32   16   22 o   58.844   8.5939   25.186   6.7762   16.084   8.9866   37.181   10.317   45.824   13.535   71.864   10.594 -26.03990 17.18784 
1 1 1  -32   16   23 o  152.369   5.6716  157.036   11.464  134.887   14.511  193.819   18.700  138.796   7.7148  165.942   8.3156 -27.14618 11.34320 
1 1 1  -32   16   24 o   52.983   10.688   22.767   8.0845   17.916   13.425   25.528   10.127   48.362   16.774   57.603   13.249 -9.241089 21.37546 
1 1 1  -32   16   25 o   68.573   8.2358   33.904   7.1478   18.423   9.3684   55.471   11.057   48.788   13.639   88.357   9.2348 -39.56886 16.47153 
1 1 1  -32   16   26 o   44.128   9.7339   14.882   6.5776   17.876   8.9405   11.348   9.7116   48.141   13.275   40.115   14.239 8.026241 19.46772 
1 1 1  -32   16   27 o  179.230   5.6555  215.447   13.363  183.218   16.696  272.897   22.291  161.733   7.6176  196.728   8.3613 -34.99532 11.31101 
1 1 1  -32   16   28 o   54.373   9.3137   24.468   7.9160   6.0904   12.460   36.905   10.250   37.261   15.330   71.486   10.581 -34.22487 18.62732 
1 1 1  -32   16   29 o   31.829   13.798   0.8537   11.000   0.8537   11.000   0.0000   0.0000   31.829   13.798  ?   ?       ?      ? 
1 1 1  -32   16   30 o   83.843   8.6655   53.742   9.2626   43.452   13.916   61.925   12.411   74.767   14.255   92.920   9.8563 -18.15301 17.33105 
1 1 1  -32   16   31 o  109.125   7.3164   87.203   10.615   76.665   15.934   95.611   14.233  102.328   11.490  115.921   9.0605 -13.59268 14.63287 
1 1 1  -32   16   32 o   54.387   9.5158   24.098   7.7803   10.299   11.956   34.233   10.247   40.227   15.509   68.547   11.031 -28.32008 19.03163 
1 1 1  -32   16   33 o   65.855   9.8484   35.031   8.5178   26.156   13.335   41.149   11.071   56.514   16.430   75.196   10.864 -18.68242 19.69673 
1 1 1  -32   16   34 o  148.413   6.9534  160.473   13.768  137.452   20.170  180.556   18.839  137.394   10.833  159.432   8.7198 -22.03801 13.90676 
1 1 1  -32   16   35 o   70.883   9.5594   38.394   8.7392   42.266   13.677   35.723   11.361   73.450   14.255   68.316   12.740 5.133827 19.11885 
1 1 1  -32   16   36 o   43.369   10.371   14.281   7.6760   6.9674   11.950   19.419   10.016   37.209   15.126   49.528   14.193 -12.31963 20.74207 
1 1 1  -32   16   37 o  112.875   9.6223   91.644   14.718   0.0000   0.0000   91.644   14.718  ?   ?   112.875   9.6223      ?      ? 
1 1 1  -32   16   38 o  146.982   9.1238  154.611   18.173   0.0000   0.0000  154.611   18.173  ?   ?   146.982   9.1238      ?      ? 
1 1 1  -32   16   39 o   44.888   10.603   15.056   7.5440   20.090   11.773   11.549   9.8262   49.815   15.651   39.961   14.308 9.853931 21.20614 
1 1 1  -32   16   40 o   88.483   8.1386   57.863   9.6971   58.699   14.569   57.197   12.994   88.643   12.128   88.322   10.856 0.3216095 16.27719 
1 1 1  -32   16   41 o   62.782   9.9236   32.112   8.4125   23.600   12.791   38.600   11.167   53.344   16.239   72.220   11.411 -18.87588 19.84719 
1 1 1  -32   16   42 o  113.864   7.7903   98.808   11.469   71.721   16.930  121.784   15.592   97.267   12.844  130.461   8.8196 -33.19404 15.58058 
1 1 1  -32   16   43 o   60.808   15.888   30.711   13.237   30.711   13.237   0.0000   0.0000   60.808   15.888  ?   ?       ?      ? 
1 1 1  -32   16   44 o   37.778   10.417   8.9940   7.5881   8.9823   12.061   9.0016   9.7622   38.563   15.363   36.992   14.074 1.570526 20.83496 
1 1 1  -32   16   45 o   33.439   9.5574   0.2330   7.3259   14.591   11.639  -9.1863   9.4275   43.506   15.573   23.373   11.084 20.13297 19.11489 
1 1 1  -32   16   46 o   41.752   10.093   13.084   7.6245   2.8198   12.014   20.006   9.8659   33.720   14.519   49.785   14.025 -16.06509 20.18623 
1 1 1  -32   16   47 o   41.309   10.704   12.315   7.6914   15.450   12.295   10.299   9.8588   44.374   15.993   38.244   14.231 6.129776 21.40745 
1 1 1  -32   16   48 f   55.006   10.875   25.303   8.3488   24.726   13.167   25.691   10.797   53.806   16.494   56.207   14.177 -2.400837 21.74960 
1 1 1  -32   16   49 o   55.898   10.763   26.926   8.6220   19.593   13.339   32.187   11.300   48.349   16.723   63.446   13.554 -15.09727 21.52633 
1 1 1  -32   16   50 o   35.017   9.9572   5.4942   7.8788  -4.4165   12.219   12.548   10.308   29.425   13.498   40.608   14.642 -11.18215 19.91442 
1 1 1  -32   16   51 o   81.136   12.466   50.584   13.707   0.0000   0.0000   50.584   13.707  ?   ?    81.136   12.466      ?      ? 
1 1 1  -32   16   52 o   49.405   16.287   20.967   12.650   0.0000   0.0000   20.967   12.650  ?   ?    49.405   16.287      ?      ? 
1 1 1  -32   16   53 o   46.661   11.216   17.484   8.9204   26.422   12.997   9.5245   12.265   54.949   16.289   38.374   15.421 16.57525 22.43128 
1 1 1  -32   16   54 o   82.838   10.252   57.271   10.804   34.616   15.051   81.355   15.518   61.917   17.280  103.759   11.037 -41.84192 20.50402 
1 1 1  -32   16   55 o   36.427   10.493   7.5484   8.2754   11.798   11.890   3.5553   11.525   39.836   15.436   33.018   14.218 6.817169 20.98622 
1 1 1  -32   16   56 o   34.253   10.498   4.0079   8.9697   3.5703   12.147   4.5326   13.302   33.461   14.502   35.045   15.183 -1.584366 20.99596 
1 1 1  -32   16   57 o   36.560   15.479   7.1438   13.254   7.1438   13.254   0.0000   0.0000   36.560   15.479  ?   ?       ?      ? 
1 1 1  -32   16   58 o   59.427   11.450   32.851   10.003   21.865   14.594   42.587   13.738   48.404   17.426   70.449   14.858 -22.04444 22.90067 
1 1 1  -32   16   59 o   61.641   11.215   36.043   10.333   19.594   15.222   50.099   14.071   46.031   17.560   77.252   13.955 -31.22111 22.42935 
1 1 1  -32   16   60 o   38.718   11.057   10.799   9.2709   4.6152   13.497   16.323   12.757   34.474   15.108   42.962   16.148 -8.487823 22.11330 
1 1 1  -32   16   61 o   33.840   10.268   3.1597   9.1505  -8.2184   13.403   13.094   12.524   27.871   13.217   39.809   15.719 -11.93734 20.53683 
1 1 1  -32   16   62 o   44.820   11.591   18.261   9.5668   26.901   13.943   10.576   13.151   51.923   17.099   37.718   15.655 14.20446 23.18283 
1 1 1  -32   16   63 o   32.903   10.289   4.0721   8.9768   4.4145   13.623   3.8093   11.934   33.678   14.950   32.128   14.140 1.550091 20.57775 
1 1 1  -32   16   64 f   22.391   11.026 -17.8355   11.831   0.0000   0.0000 -17.8355   11.831  ?   ?    22.391   11.026      ?      ? 
1 1 1  -32   16   65 o   40.218   15.973   15.285   13.002   0.0000   0.0000   15.285   13.002  ?   ?    40.218   15.973      ?      ? 
1 1 1  -32   16   66 o   33.520   14.752   6.4049   12.987   0.0000   0.0000   6.4049   12.987  ?   ?    33.520   14.752      ?      ? 
1 1 1  -32   17   18 o   30.364   9.0558   2.4764   6.1908   3.1817   10.170   2.0612   7.8031   32.333   13.617   28.395   11.942 3.938700 18.11152 
1 1 1  -32   17   19 o   40.173   9.0268   11.510   6.5700  -0.9240   10.301   20.036   8.5302   29.497   13.052   50.849   12.474 -21.35217 18.05364 
1 1 1  -32   17   20 o   74.673   8.6849   42.532   8.4521   37.134   12.398   47.219   11.553   68.871   13.765   80.475   10.594 -11.60372 17.36989 
1 1 1  -32   17   21 o   38.840   10.090   10.436   6.9356   11.114   10.404   9.8935   9.3046   39.804   14.655   37.877   13.872 1.927452 20.17984 
1 1 1  -32   17   22 o   58.696   13.326   26.983   10.358   0.0000   0.0000   26.983   10.358  ?   ?    58.696   13.326      ?      ? 
1 1 1  -32   17   23 o   71.942   9.0156   39.979   8.4248   35.353   12.691   43.623   11.265   66.655   14.466   77.229   10.764 -10.57487 18.03111 
1 1 1  -32   17   24 o   54.275   10.281   22.866   7.6779   29.547   12.048   18.298   9.9629   60.571   14.803   47.979   14.271 12.59164 20.56191 
1 1 1  -32   17   25 o   59.942   9.7039   29.027   7.9408   20.926   12.009   35.320   10.585   50.676   15.789   69.209   11.286 -18.53333 19.40785 
1 1 1  -32   17   26 o   33.379   9.2248   4.7431   6.7575  -5.4326   10.641   11.620   8.7479   27.201   12.521   39.556   13.550 -12.35471 18.44952 
1 1 1  -32   17   27 o   37.415   14.583   8.6145   10.661   8.6145   10.661   0.0000   0.0000   37.415   14.583  ?   ?       ?      ? 
1 1 1  -32   17   28 o   44.400   15.525   15.237   11.510   15.237   11.510   0.0000   0.0000   44.400   15.525  ?   ?       ?      ? 
1 1 1  -32   17   29 o   33.551   9.7875   4.7340   7.2459   2.0942   11.098   6.6955   9.5664   32.438   13.960   34.664   13.722 -2.225800 19.57507 
1 1 1  -32   17   30 o   33.828   9.8115   4.4625   7.1972   8.8028   11.013   1.2271   9.5085   37.773   14.795   29.882   12.891 7.890892 19.62309 
1 1 1  -32   17   31 o   93.642   7.9669   65.114   10.041   62.442   14.861   67.358   13.619   91.331   12.008   95.953   10.474 -4.621849 15.93377 
1 1 1  -32   17   32 o   35.683   10.123   6.8983   7.3986   7.5698   11.308   6.3957   9.7830   36.856   14.809   34.510   13.807 2.346516 20.24657 
1 1 1  -32   17   33 o   40.961   10.602   11.720   7.6562   16.017   11.826   8.6194   10.045   45.100   15.738   36.821   14.210 8.279282 21.20412 
1 1 1  -32   17   34 o   45.519   10.188   13.454   7.7407   28.559   12.277   3.4867   9.9728   58.906   15.258   32.133   13.506 26.77273 20.37683 
1 1 1  -32   17   35 o   42.321   10.476   13.735   7.7415   7.5274   12.123   18.009   10.060   37.358   15.217   47.283   14.403 -9.925152 20.95189 
1 1 1  -32   17   36 o   42.854   14.272   14.378   9.7038   0.0000   0.0000   14.378   9.7038  ?   ?    42.854   14.272      ?      ? 
1 1 1  -32   17   37 o   37.166   9.5154   7.0153   7.5196  -8.1762   11.561   18.155   9.8998   26.912   12.610   47.419   14.253 -20.50717 19.03079 
1 1 1  -32   17   38 o   36.108   10.121   7.7667   7.3306   6.9271   11.283   8.3801   9.6433   36.084   14.687   36.133   13.929 -0.4849625E-01 20.24132 
1 1 1  -32   17   39 o   26.624   8.6841  -4.7539   7.0767  -6.4460   11.692  -3.7757   8.8900   27.859   12.930   25.390   11.596 2.469061 17.36823 
1 1 1  -32   17   40 o   87.216   9.0427   60.270   10.006   48.283   15.056   69.752   13.390   76.947   14.978   97.485   10.136 -20.53764 18.08533 
1 1 1  -32   17   41 o   39.963   15.438   11.140   11.865   11.140   11.865   0.0000   0.0000   39.963   15.438  ?   ?       ?      ? 
1 1 1  -32   17   42 o   44.043   16.016   15.388   12.371   15.388   12.371   0.0000   0.0000   44.043   16.016  ?   ?       ?      ? 
1 1 1  -32   17   43 o   87.488   8.6444   58.915   10.140   52.562   14.759   64.594   13.954   82.105   13.265   92.870   11.088 -10.76514 17.28884 
1 1 1  -32   17   44 o   40.328   10.909   11.418   8.3165   15.366   12.572   8.3460   11.089   43.863   16.116   36.794   14.707 7.068573 21.81804 
1 1 1  -32   17   45 o   56.930   11.125   27.990   8.9201   25.056   13.076   30.543   12.199   53.553   16.441   60.307   14.992 -6.753021 22.24988 
1 1 1  -32   17   46 o   52.367   10.813   23.506   8.9432   11.780   12.947   34.208   12.368   40.567   15.993   64.166   14.558 -23.59976 21.62698 
1 1 1  -32   17   47 o   79.573   9.8247   51.787   10.145   41.863   14.655   60.921   14.059   69.844   15.847   89.301   11.617 -19.45713 19.64939 
1 1 1  -32   17   48 o   30.509   9.1336  -3.3504   7.7254 -19.4178   11.114   11.670   10.746   21.717   10.692   39.302   14.811 -17.58460 18.26718 
1 1 1  -32   17   49 o   79.992   12.987   50.682   14.077   0.0000   0.0000   50.682   14.077  ?   ?    79.992   12.987      ?      ? 
1 1 1  -32   17   50 o   97.480   11.522   73.232   15.220   0.0000   0.0000   73.232   15.220  ?   ?    97.480   11.522      ?      ? 
1 1 1  -32   17   51 o   41.767   11.374   14.121   9.0622   14.638   13.443   13.691   12.269   42.311   16.408   41.223   15.756 1.087170 22.74766 
1 1 1  -32   17   52 o   71.730   10.888   44.038   10.220   53.159   15.635   37.234   13.504   78.469   15.253   64.991   15.543 13.47828 21.77673 
1 1 1  -32   17   53 o   30.262   9.6353  -0.7444   8.1500   3.3444   12.848  -3.4977   10.543   33.419   14.690   27.105   12.472 6.313446 19.27051 
1 1 1  -32   17   54 o   58.296   11.664   32.150   9.7162   28.540   14.563   35.046   13.044   54.072   17.454   62.520   15.478 -8.448105 23.32853 
1 1 1  -32   17   55 o   78.797   15.843   55.846   16.331   55.846   16.331   0.0000   0.0000   78.797   15.843  ?   ?       ?      ? 
1 1 1  -32   17   56 o   30.135   9.6380  -2.1924   8.4960   6.9822   13.011  -9.0121   11.218   35.264   15.145   25.006   11.924 10.25831 19.27591 
1 1 1  -32   17   57 f   43.751   11.688   18.245   9.4853   17.430   14.114   18.916   12.809   43.002   16.774   44.501   16.280 -1.498611 23.37548 
1 1 1  -32   17   58 o   50.732   11.807   26.339   9.6803   21.069   14.721   30.354   12.849   45.489   17.289   55.975   16.086 -10.48602 23.61475 
1 1 1  -32   17   59 o   34.942   10.662   7.1078   9.1417   11.941   13.985   3.5019   12.080   38.151   16.013   31.734   14.083 6.416647 21.32449 
1 1 1  -32   17   60 o   49.354   11.641   25.434   9.6650   17.109   14.063   32.886   13.305   41.537   16.576   57.171   16.350 -15.63414 23.28266 
1 1 1  -32   17   61 o   34.479   10.657   7.5248   9.3825   10.080   14.115   5.5019   12.559   36.228   15.667   32.729   14.450 3.498421 21.31359 
1 1 1  -32   18   25 o   36.893   14.567   8.4439   10.755   8.4439   10.755   0.0000   0.0000   36.893   14.567  ?   ?       ?      ? 
1 1 1  -32   18   26 o   78.255   12.974   47.214   13.759   47.214   13.759   0.0000   0.0000   78.255   12.974  ?   ?       ?      ? 
1 1 1  -32   18   27 o   45.592   10.338   17.077   7.3681   13.262   11.356   19.850   9.6831   41.758   15.321   49.427   13.884 -7.668961 20.67567 
1 1 1  -32   18   28 o   34.821   9.9250   6.1996   7.1039   9.7680   11.249   3.8327   9.1618   38.346   14.971   31.296   13.035 7.049366 19.84998 
1 1 1  -32   18   29 o   32.607   9.4290   4.3510   6.9699  -2.4869   10.834   9.1798   9.1042   28.784   13.010   36.430   13.652 -7.645758 18.85802 
1 1 1  -32   18   30 o   38.864   10.338   10.702   7.3025   11.961   11.423   9.8313   9.4966   40.402   15.260   37.326   13.951 3.076260 20.67605 
1 1 1  -32   18   31 o   55.210   10.670   25.415   8.1668   27.177   12.317   24.033   10.910   56.604   15.571   53.816   14.592 2.788815 21.33943 
1 1 1  -32   18   32 o   54.544   10.586   25.375   8.4412   16.876   12.308   32.923   11.599   45.337   16.037   63.751   13.824 -18.41436 21.17294 
1 1 1  -32   18   33 o   50.277   9.8553   20.819   8.2134   4.9959   12.120   34.257   11.169   34.938   14.798   65.617   13.021 -30.67951 19.71061 
1 1 1  -32   18   34 o   87.134   11.404   57.419   13.465   0.0000   0.0000   57.419   13.465  ?   ?    87.134   11.404      ?      ? 
1 1 1  -32   18   35 o   54.029   10.866   24.762   8.3181   27.136   12.303   22.762   11.289   56.253   15.596   51.806   15.133 4.446739 21.73158 
1 1 1  -32   18   36 o   42.495   10.639   14.564   7.6805   13.202   11.475   15.670   10.337   41.273   15.354   43.717   14.731 -2.443890 21.27779 
1 1 1  -32   18   37 o   65.008   10.223   35.173   8.7293   34.476   13.150   35.722   11.672   63.569   15.423   66.446   13.424 -2.877171 20.44689 
1 1 1  -32   18   38 o   53.185   10.484   24.526   8.4745   13.676   12.378   34.098   11.626   41.811   15.863   64.559   13.713 -22.74865 20.96804 
1 1 1  -32   18   39 o   24.724   11.769  -9.9262   10.829  -9.9262   10.829   0.0000   0.0000   24.724   11.769  ?   ?       ?      ? 
1 1 1  -32   18   40 o   36.090   14.919   7.4315   11.874   7.4315   11.874   0.0000   0.0000   36.090   14.919  ?   ?       ?      ? 
1 1 1  -32   18   41 o   62.562   10.889   33.422   9.1513   39.773   13.867   28.522   12.180   67.922   15.418   57.203   15.380 10.71901 21.77773 
1 1 1  -32   18   42 o   75.503   10.045   48.994   9.7919   32.650   14.282   63.490   13.451   59.698   16.894   91.308   10.871 -31.60988 20.08940 
1 1 1  -32   18   43 o   38.464   9.8603   9.2943   7.9884  -5.7403   12.154   20.728   10.599   28.062   13.077   48.867   14.761 -20.80505 19.72062 
1 1 1  -32   18   44 o   35.351   9.5377   5.0937   7.9535 -13.4976   12.433   17.972   10.348   25.155   12.140   45.548   14.714 -20.39347 19.07546 
1 1 1  -32   18   45 o   66.367   10.895   39.178   9.5633   36.443   14.661   41.204   12.617   62.574   16.895   70.159   13.762 -7.585594 21.79057 
1 1 1  -32   18   46 f   39.208   10.898   12.050   8.5619   9.0771   13.135   14.247   11.290   37.331   15.582   41.085   15.240 -3.754276 21.79623 
1 1 1  -32   18   47 o   29.500   13.101   0.9069   10.472   0.0000   0.0000   0.9069   10.472  ?   ?    29.500   13.101      ?      ? 
1 1 1  -32   18   48 o   40.740   15.414   14.238   11.668   0.0000   0.0000   14.238   11.668  ?   ?    40.740   15.414      ?      ? 
1 1 1  -32   18   49 o   41.720   10.575   14.315   8.8325   0.3829   13.470   24.826   11.699   31.733   14.408   51.707   15.483 -19.97338 21.15033 
1 1 1  -32   18   50 o   33.647   10.157   4.6039   8.7732  -5.3027   13.252   12.334   11.706   28.701   13.465   38.594   15.210 -9.893145 20.31409 
1 1 1  -32   18   51 o   40.373   11.213   14.463   9.1395   10.427   13.680   17.716   12.283   37.475   15.789   43.271   15.925 -5.795692 22.42507 
1 1 1  -32   18   52 o   40.526   10.715   13.433   9.2375  -1.3685   14.005   24.831   12.290   30.788   14.240   50.264   16.014 -19.47557 21.43002 
1 1 1  -32   18   53 o   35.434   15.243   8.4457   13.218   8.4457   13.218   0.0000   0.0000   35.434   15.243  ?   ?       ?      ? 
1 1 1  -32   18   54 o   61.728   11.469   40.013   10.657   24.066   15.643   53.823   14.557   46.484   17.785   76.972   14.488 -30.48768 22.93872 
1 1 1  -32   18   55 o   32.128   10.044   3.1987   9.1416  -6.8369   13.626   11.412   12.327   27.608   13.159   36.649   15.179 -9.041077 20.08896 
1 1 1  -32   19   34 o   37.949   10.257   11.049   7.6559   4.9931   12.339   14.839   9.7622   34.080   14.694   41.818   14.314 -7.738693 20.51342 
1 1 1  -32   19   35 o   30.369   9.4074   2.2012   7.2698   0.9756   11.777   2.9556   9.2402   30.965   13.813   29.774   12.774 1.190538 18.81485 
1 1 1  -32   19   36 o   28.266   9.1463  -2.2545   7.7888  -4.8426   12.443  -0.5872   9.9875   28.490   13.261   28.043   12.600 0.4472237 18.29261 
1 1 1  -32   19   37 o   45.503   16.827   19.337   13.742   19.337   13.742   0.0000   0.0000   45.503   16.827  ?   ?       ?      ? 
1 1 1  -32   19   38 o   23.301   11.351 -14.9486   11.554 -14.9486   11.554   0.0000   0.0000   23.301   11.351  ?   ?       ?      ? 
1 1 1  -32   19   39 o   45.389   11.239   17.869   8.6826   27.242   13.516   11.282   11.330   52.931   16.787   37.847   14.949 15.08322 22.47781 
1 1 1  -32   19   40 o   46.084   11.419   20.121   8.7674   20.266   13.485   20.015   11.539   45.840   16.714   46.328   15.564 -0.4885178 22.83833 
1 1 1  -32   19   41 o   76.991   10.469   53.942   10.448   40.349   15.534   65.171   14.119   63.686   17.473   90.297   11.538 -26.61144 20.93875 
1 1 1  -32   19   42 o   35.002   10.125   7.1102   8.3762  -3.5172   12.681   15.336   11.156   28.829   13.409   41.175   15.174 -12.34640 20.24922 
1 1 1  -32   19   43 o   30.648   9.7582   0.9160   8.3869   5.0036   13.085  -1.9341   10.926   33.547   14.783   27.749   12.741 5.797985 19.51646 
1 1 1  -32   19   44 o   42.635   11.139   17.494   8.9628   10.622   13.859   22.434   11.751   37.305   15.813   47.965   15.692 -10.65997 22.27820 
1 1 1  -32   19   45 o   34.283   14.404   8.0860   11.334   0.0000   0.0000   8.0860   11.334  ?   ?    34.283   14.404      ?      ? 
1 1 1  -32   19   46 o   39.897   15.394   14.954   11.786   0.0000   0.0000   14.954   11.786  ?   ?    39.897   15.394      ?      ? 
1 1 1  -32   19   47 o   35.312   10.696   8.5974   8.9789   13.340   14.162   5.4102   11.610   38.452   16.125   32.172   14.058 6.279747 21.39252 
1 1 1  -32   19   48 f   30.153   9.7340   1.3336   8.6724   1.7146   13.865   1.0887   11.115   31.343   14.377   28.963   13.126 2.380049 19.46803 
1 1 1  -31    0    1 o  176.309   6.2931  211.669   14.992   0.0000   0.0000  211.669   14.992  176.309   6.2931  176.309   6.2931 -0.000000 0.000000 
1 1 1  -31    0    2 o  315.936   7.1000  678.330   30.363   0.0000   0.0000  678.330   30.363  315.936   7.1000  315.936   7.1000 -0.000000 0.000000 
1 1 1  -31    0    3 o  395.693   7.9318  1064.07   42.493   0.0000   0.0000  1064.07   42.493  395.693   7.9318  395.693   7.9318 -0.000000 0.000000 
1 1 1  -31    0    4 o  180.651   6.3162  222.181   15.420   0.0000   0.0000  222.181   15.420  180.651   6.3162  180.651   6.3162 -0.000000 0.000000 
1 1 1  -31    0    5 o  251.228   6.6179  429.062   22.495   0.0000   0.0000  429.062   22.495  251.228   6.6179  251.228   6.6179 -0.000000 0.000000 
1 1 1  -31    0    6 o  170.862   6.3894  198.858   14.747   0.0000   0.0000  198.858   14.747  170.862   6.3894  170.862   6.3894 -0.000000 0.000000 
1 1 1  -31    0    7 f  116.872   6.8929   93.630   10.830   0.0000   0.0000   93.630   10.830  116.872   6.8929  116.872   6.8929 -0.000000 0.000000 
1 1 1  -31    0    8 o  159.878   6.5225  174.256   14.078   0.0000   0.0000  174.256   14.078  159.878   6.5225  159.878   6.5225 -0.000000 0.000000 
1 1 1  -31    0    9 o   48.668   13.764   19.510   7.8617   0.0000   0.0000   19.510   7.8617   48.668   13.764   48.668   13.764 -0.000000 0.000000 
1 1 1  -31    0   10 o  169.377   6.5527  195.477   14.989   0.0000   0.0000  195.477   14.989  169.377   6.5527  169.377   6.5527 -0.000000 0.000000 
1 1 1  -31    0   11 o  295.747   7.0565  594.441   28.245   0.0000   0.0000  594.441   28.245  295.747   7.0565  295.747   7.0565 -0.000000 0.000000 
1 1 1  -31    0   12 o  245.028   6.6998  408.199   22.209   0.0000   0.0000  408.199   22.209  245.028   6.6998  245.028   6.6998 -0.000000 0.000000 
1 1 1  -31    0   13 o  427.328   8.2973  1242.21   47.919  1315.74   69.456  1175.42   66.196  439.410   11.683  415.245   11.785 -0.000000 0.000000 
1 1 1  -31    0   14 o  227.832   6.4533  354.314   19.836  370.833   28.092  337.889   28.012  233.191   8.9192  222.473   9.3288 -0.000000 0.000000 
1 1 1  -31    0   15 o  312.583   7.0702  665.806   29.878  665.739   42.016  665.876   42.495  312.577   9.9419  312.589   10.055 -0.000000 0.000000 
1 1 1  -31    0   16 o  315.520   7.1233  678.410   30.386  686.567   42.998  670.273   42.945  317.430   10.018  313.609   10.129 -0.000000 0.000000 
1 1 1  -31    0   17 o  229.036   6.5172  357.772   20.148  350.166   28.096  365.824   28.908  226.525   9.1870  231.548   9.2462 -0.000000 0.000000 
1 1 1  -31    0   18 o  441.519   8.5064  1328.19   50.797  1366.76   72.714  1291.42   70.994  447.797   12.002  435.241   12.058 -0.000000 0.000000 
1 1 1  -31    0   19 o  279.555   6.8645  532.504   25.923  554.356   37.070  511.590   36.265  285.202   9.6163  273.909   9.7986 -0.000000 0.000000 
1 1 1  -31    0   20 o  303.403   7.0911  627.220   29.078  641.412   41.552  613.601   40.706  306.777   10.019  300.028   10.037 -0.000000 0.000000 
1 1 1  -31    0   21 f  172.548   9.1785  203.889   21.323   0.0000   0.0000  203.889   21.323  172.548   9.1785  172.548   9.1785 -0.000000 0.000000 
1 1 1  -31    0   22 o   42.927   18.548   17.947   11.109   0.0000   0.0000   17.947   11.109   42.927   18.548   42.927   18.548 -0.000000 0.000000 
1 1 1  -31    0   23 o  152.412   6.6922  159.470   13.668  173.971   19.635  145.835   19.039  159.272   9.1665  145.553   9.7529 -0.000000 0.000000 
1 1 1  -31    0   24 o  112.254   7.3140   87.824   10.901   85.477   15.524   90.108   15.311  110.667   10.574  113.841   10.108 -0.000000 0.000000 
1 1 1  -31    0   25 o  166.806   6.6570  190.860   14.930  187.612   21.340  193.974   20.896  165.363   9.5970  168.248   9.2283 -0.000000 0.000000 
1 1 1  -31    0   26 o  261.502   6.8617  464.996   24.200  500.379   35.338  433.750   33.208  270.887   9.6543  252.117   9.7531 -0.000000 0.000000 
1 1 1  -31    0   27 o  180.247   6.6562  221.977   16.138  235.515   23.457  209.811   22.238  185.501   9.3861  174.993   9.4403 -0.000000 0.000000 
1 1 1  -31    0   28 o  389.588   8.0109  1033.83   42.192  1068.79   60.775  1001.31   58.622  395.952   11.348  383.224   11.310 -0.000000 0.000000 
1 1 1  -31    0   29 o  326.746   7.3958  726.995   32.651  759.034   47.124  697.411   45.282  333.685   10.445  319.806   10.474 -0.000000 0.000000 
1 1 1  -31    0   30 o  191.490   9.5450  250.959   24.628  250.959   24.628   0.0000   0.0000  191.490   9.5450  191.490   9.5450 -0.000000 0.000000 
1 1 1  -31    0   31 o  222.110   9.5751  337.030   28.698  337.030   28.698   0.0000   0.0000  222.110   9.5751  222.110   9.5751 -0.000000 0.000000 
1 1 1  -31    0   32 o  205.344   6.7197  287.810   18.591  301.727   26.964  275.199   25.668  210.095   9.5151  200.593   9.4910 -0.000000 0.000000 
1 1 1  -31    0   33 o  233.919   6.8519  373.494   21.627  381.697   31.120  365.831   30.076  236.403   9.7519  231.436   9.6277 -0.000000 0.000000 
1 1 1  -31    0   34 o  377.921   7.9628  974.158   40.694  956.883   57.464  991.535   57.637  374.532   11.346  381.309   11.176 -0.000000 0.000000 
1 1 1  -31    0   35 o  465.684   8.9444  1480.05   56.346  1455.94   79.435  1504.46   79.939  461.842   12.714  469.525   12.584 -0.000000 0.000000 
1 1 1  -31    0   36 o  361.052   7.8138  888.491   38.131  912.346   55.000  866.414   52.911  365.712   11.121  356.392   10.979 -0.000000 0.000000 
1 1 1  -31    0   37 o  197.017   6.9135  264.945   18.324  280.953   26.854  250.997   25.067  202.597   9.8340  191.437   9.7199 -0.000000 0.000000 
1 1 1  -31    0   38 o  149.296   7.2236  153.747   14.431  152.043   20.967  155.280   19.894  148.414   10.547  150.178   9.8730 -0.000000 0.000000 
1 1 1  -31    0   39 o  182.626   6.9183  229.181   16.967  216.716   24.358  240.930   23.648  177.659   10.194  187.594   9.3555 -0.000000 0.000000 
1 1 1  -31    0   40 o   96.453   9.6641   69.025   11.157   51.631   16.154   84.889   15.427   82.668   16.196  110.238   10.549 -0.000000 0.000000 
1 1 1  -31    0   41 o  354.405   7.7993  857.088   37.367  862.470   53.488  851.957   52.223  355.472   11.128  353.338   10.930 -0.000000 0.000000 
1 1 1  -31    0   42 o  402.541   8.2917  1106.30   45.135  1101.79   64.402  1110.66   63.274  401.698   11.854  403.383   11.597 -0.000000 0.000000 
1 1 1  -31    0   43 o  130.409   7.9570  120.253   13.513  106.306   20.472  131.020   17.988  123.022   12.582  137.796   9.7448 -0.000000 0.000000 
1 1 1  -31    0   44 o  228.273   9.6898  356.230   29.852   0.0000   0.0000  356.230   29.852  228.273   9.6898  228.273   9.6898 -0.000000 0.000000 
1 1 1  -31    0   45 o  556.193   10.172  2117.25   76.544  2094.40  108.431  2139.94  108.070  553.157   14.488  559.230   14.281 -0.000000 0.000000 
1 1 1  -31    0   46 o  693.063   12.022  3296.12  112.715  3360.59  162.061  3235.71  156.872  699.574   17.118  686.553   16.884 -0.000000 0.000000 
1 1 1  -31    0   47 o  469.839   9.1573  1509.38   58.185  1506.03   83.292  1512.57   81.317  469.273   13.121  470.405   12.778 -0.000000 0.000000 
1 1 1  -31    0   48 o   75.591   13.296   42.455   11.727   69.315   19.658   27.614   14.612   96.816   16.395   54.365   20.935 -0.000000 0.000000 
1 1 1  -31    0   49 f   71.442   13.122   45.511   11.210   26.210   16.989   60.395   14.919   51.291   22.954   91.593   12.721 -0.000000 0.000000 
1 1 1  -31    0   50 o  189.298   10.679  246.302   27.196  246.302   27.196   0.0000   0.0000  189.298   10.679  189.298   10.679 -0.000000 0.000000 
1 1 1  -31    0   51 o  263.865   10.602  476.398   37.770  476.398   37.770   0.0000   0.0000  263.865   10.602  263.865   10.602 -0.000000 0.000000 
1 1 1  -31    0   52 o  219.382   7.2320  330.180   21.347  323.149   31.026  336.500   29.416  217.055   10.606  221.709   9.8349 -0.000000 0.000000 
1 1 1  -31    0   53 o  239.150   7.3315  391.517   23.599  394.014   34.665  389.360   32.217  239.777   10.717  238.523   10.007 -0.000000 0.000000 
1 1 1  -31    0   54 o  200.473   7.3802  277.635   19.785  257.240   29.002  295.390   27.059  193.299   11.157  207.646   9.6640 -0.000000 0.000000 
1 1 1  -31    0   55 o  274.953   7.4354  518.193   27.544  504.545   40.057  530.433   37.935  271.387   10.932  278.518   10.081 -0.000000 0.000000 
1 1 1  -31    0   56 o   99.665   10.426   71.571   12.923   75.893   20.495   68.718   16.651  101.633   16.087   97.697   13.267 -0.000000 0.000000 
1 1 1  -31    0   57 o  370.839   8.2162  941.625   41.151  944.061   59.658  939.415   56.838  371.207   11.887  370.471   11.345 -0.000000 0.000000 
1 1 1  -31    0   58 o  344.851   8.0077  815.404   37.282  795.961   53.694  833.504   51.805  340.753   11.659  348.949   10.980 -0.000000 0.000000 
1 1 1  -31    0   59 o  329.035   7.9279  736.928   35.083  792.226   52.893  693.489   46.880  339.916   11.513  318.154   10.902 -0.000000 0.000000 
1 1 1  -31    0   60 f  280.090   7.5753  534.994   28.510  567.057   42.988  509.818   38.092  287.455   11.073  272.724   10.341 -0.000000 0.000000 
1 1 1  -31    0   61 o   23.559   15.435  -1.5244   12.273   0.0000   0.0000  -1.5244   12.273   23.559   15.435   23.559   15.435 -0.000000 0.000000 
1 1 1  -31    0   62 o   65.806   18.512   36.091   14.291   0.0000   0.0000   36.091   14.291   65.806   18.512   65.806   18.512 -0.000000 0.000000 
1 1 1  -31    0   63 o  188.617   7.4658  245.136   18.804  248.962   28.465  242.173   25.046  189.730   11.159  187.504   9.9206 -0.000000 0.000000 
1 1 1  -31    0   64 o  336.631   7.9345  779.320   36.044  775.808   52.440  782.464   49.624  335.761   11.556  337.500   10.876 -0.000000 0.000000 
1 1 1  -31    0   65 o  220.568   7.5302  337.790   22.189  314.798   32.899  356.975   30.052  213.283   11.458  227.853   9.7738 -0.000000 0.000000 
1 1 1  -31    0   66 o  166.636   7.7636  193.664   17.126  188.071   26.175  197.850   22.647  164.132   11.913  169.141   9.9594 -0.000000 0.000000 
1 1 1  -31    0   67 o  272.871   11.147  514.119   41.063  514.119   41.063   0.0000   0.0000  272.871   11.147  272.871   11.147 -0.000000 0.000000 
1 1 1  -31    0   68 o  147.708   12.158  153.422   23.957  153.422   23.957   0.0000   0.0000  147.708   12.158  147.708   12.158 -0.000000 0.000000 
1 1 1  -31    0   69 o   28.448   12.339   4.9918   9.2730  -0.0789   15.106   8.0582   11.747   26.772   17.391   30.125   17.509 -0.000000 0.000000 
1 1 1  -31    0   70 o   91.030   11.839   67.196   11.963   46.972   18.203   82.571   15.871   74.261   20.895  107.798   11.137 -0.000000 0.000000 
1 1 1  -31    0   71 o  144.978   7.7869  146.650   14.974  153.981   22.874  141.153   19.808  147.920   11.574  142.036   10.420 -0.000000 0.000000 
1 1 1  -31    0   72 o  122.046   8.3311  105.217   13.347  111.298   20.594  100.813   17.526  124.796   12.463  119.297   11.059 -0.000000 0.000000 
1 1 1  -31    0   73 o   31.093   13.077   6.8247   9.4595   13.623   15.410   2.7138   11.983   36.542   20.539   25.645   16.191 -0.000000 0.000000 
1 1 1  -31    0   74 o   64.547   13.187   40.413   10.755   23.175   17.103   51.691   13.833   45.950   22.777   83.144   13.297 -0.000000 0.000000 
1 1 1  -31    0   75 o  100.897   10.387   75.986   12.671   75.804   20.888   76.093   15.939   99.243   17.039  102.551   11.886 -0.000000 0.000000 
1 1 1  -31    0   78 o   60.904   18.079   32.614   12.982   0.0000   0.0000   32.614   12.982   60.904   18.079   60.904   18.079 -0.000000 0.000000 
1 1 1  -31    0   79 o  174.641   9.8031  214.213   23.033   0.0000   0.0000  214.213   23.033  174.641   9.8031  174.641   9.8031 -0.000000 0.000000 
1 1 1  -31    0   80 o   53.759   18.687   27.268   12.296   0.0000   0.0000   27.268   12.296   53.759   18.687   53.759   18.687 -0.000000 0.000000 
1 1 1  -31    1    1 o  167.080   4.4228  189.595   10.012  189.064   14.274  190.110   14.048  166.846   6.3133  167.314   6.1957 -0.4685669 8.845536 
1 1 1  -31    1    2 o  319.141   5.0352  692.148   21.776  692.870   30.894  691.436   30.699  319.303   7.1397  318.978   7.1020 0.3255615 10.07045 
1 1 1  -31    1    3 o  372.986   5.4417  945.708   27.503  927.841   38.659  964.017   39.134  369.415   7.7225  376.557   7.6690 -7.141815 10.88349 
1 1 1  -31    1    4 o  237.276   5.7327  389.119   17.403  402.811   21.552  363.462   29.502  243.527   6.5307  231.024   9.4236 12.50288 11.46535 
1 1 1  -31    1    5 o  405.199   7.0138  1116.43   36.256  1112.09   44.310  1125.21   63.067  404.386   8.0858  406.012   11.463 -1.626129 14.02750 
1 1 1  -31    1    6 o  271.653   5.8972  500.417   20.426  497.439   24.936  506.490   35.613  270.604   6.7999  272.702   9.6369 -2.097260 11.79440 
1 1 1  -31    1    7 o  286.281   6.0303  561.760   22.098  570.708   27.233  544.514   37.808  289.838   6.9337  282.724   9.8682 7.113098 12.06057 
1 1 1  -31    1    8 f  506.038   6.5699  1741.62   45.031  1799.67   64.919  1687.80   62.515  514.149   9.3175  497.927   9.2648 16.22226 13.13973 
1 1 1  -31    1    9 o  364.152   5.4099  901.157   26.693  915.310   38.105  887.520   37.404  366.957   7.6628  361.347   7.6386 5.609985 10.81971 
1 1 1  -31    1   10 o  269.394   4.8251  492.833   17.609  475.668   24.699  510.579   25.113  264.618   6.8877  274.170   6.7592 -9.551727 9.650223 
1 1 1  -31    1   11 o  254.275   5.3798  436.509   16.127  433.515   18.636  445.434   32.178  252.744   5.4411  255.807   9.2825 -3.062943 10.75968 
1 1 1  -31    1   12 f  215.677   5.2785  323.176   13.476  331.034   15.733  301.529   26.113  220.871   5.2566  210.483   9.1552 10.38840 10.55692 
1 1 1  -31    1   13 o  314.569   5.7922  673.515   21.539  674.188   24.976  671.560   42.549  315.151   5.8482  313.986   9.9999 1.164429 11.58443 
1 1 1  -31    1   14 o  331.115   6.2844  748.754   26.605  754.450   32.680  737.560   45.816  333.222   7.2370  329.007   10.276 4.215363 12.56880 
1 1 1  -31    1   15 o  528.589   6.7454  1902.29   48.317  1892.41   68.156  1912.27   68.508  527.210   9.5397  529.969   9.5391 -2.758667 13.49075 
1 1 1  -31    1   16 o  533.992   8.3541  1954.17   57.127  1970.56   70.310  1922.32   97.996  537.957   9.6446  530.027   13.644 7.929626 16.70827 
1 1 1  -31    1   17 o  318.046   6.2030  694.242   25.285  707.383   31.228  669.228   43.085  322.673   7.1417  313.418   10.144 9.254272 12.40603 
1 1 1  -31    1   18 o  310.141   6.1764  664.745   24.603  688.746   30.599  620.859   41.377  318.399   7.0918  301.883   10.114 16.51611 12.35288 
1 1 1  -31    1   19 o  220.713   4.5772  330.809   13.690  326.806   19.324  334.841   19.396  219.371   6.5004  222.055   6.4457 -2.684601 9.154415 
1 1 1  -31    1   20 o  254.354   4.7128  439.367   16.243  431.274   22.862  447.615   23.082  251.987   6.6951  256.722   6.6347 -4.735016 9.425691 
1 1 1  -31    1   21 o  255.503   4.7364  443.400   16.399  443.019   23.221  443.779   23.164  255.392   6.7094  255.613   6.6873 -0.2209625 9.472898 
1 1 1  -31    1   22 o  363.339   5.4103  897.068   26.635  915.231   38.057  879.630   37.289  366.943   7.6535  359.736   7.6491 7.206818 10.82056 
1 1 1  -31    1   23 o  518.511   6.6971  1830.32   47.054  1854.65   67.073  1806.74   66.027  521.899   9.4837  515.122   9.4586 6.777710 13.39425 
1 1 1  -31    1   24 o  292.175   6.0724  576.932   22.561  591.865   39.671  569.794   27.429  294.751   9.9320  289.599   6.9893 5.151550 12.14471 
1 1 1  -31    1   25 o  259.972   5.8909  459.460   19.492  460.433   34.020  458.984   23.783  260.004   9.6554  259.939   6.7517 0.6558228E-01 11.78186 
1 1 1  -31    1   26 o  394.879   5.6705  1060.37   30.343  1055.71   42.938  1065.02   42.886  394.009   8.0419  395.750   7.9966 -1.741333 11.34098 
1 1 1  -31    1   27 o  234.421   5.7893  374.517   17.285  371.562   30.052  375.977   21.129  233.575   9.4944  235.267   6.6273 -1.691956 11.57862 
1 1 1  -31    1   28 o  394.666   6.9649  1053.45   34.951  1083.96   61.504  1038.90   42.477  398.484   11.390  390.847   8.0198 7.636902 13.92979 
1 1 1  -31    1   29 o  324.779   5.2196  716.291   22.960  737.454   33.161  696.805   31.820  329.376   7.4294  320.183   7.3337 9.193359 10.43925 
1 1 1  -31    1   30 o  167.099   4.7270  189.695   10.702  189.543   15.276  189.842   14.998  167.029   6.7490  167.169   6.6205 -0.1402435 9.454084 
1 1 1  -31    1   31 o  395.038   5.7066  1061.42   30.547  1071.96   43.474  1051.13   42.932  396.975   8.0813  393.102   8.0593 3.873016 11.41311 
1 1 1  -31    1   32 o  450.583   7.5895  1380.11   43.539  1370.20   53.068  1400.52   76.151  448.651   8.7286  452.515   12.418 -3.863800 15.17891 
1 1 1  -31    1   33 o  472.558   7.8522  1537.08   47.532  1563.90   58.662  1485.80   81.107  479.217   9.0332  465.900   12.846 13.31693 15.70437 
1 1 1  -31    1   34 o  363.230   5.5046  897.356   27.095  900.047   38.448  894.702   38.189  363.768   7.7994  362.692   7.7700 1.076477 11.00927 
1 1 1  -31    1   35 o  230.426   4.8225  360.786   15.053  346.767   21.147  375.182   21.430  225.880   6.9086  234.971   6.7303 -9.090668 9.645016 
1 1 1  -31    1   36 o  222.864   4.8058  337.435   14.512  345.248   20.742  329.944   20.310  225.391   6.7911  220.337   6.8019 5.053375 9.611673 
1 1 1  -31    1   37 o  357.592   5.4938  869.875   26.621  857.216   37.537  882.684   37.759  354.969   7.8035  360.216   7.7352 -5.247284 10.98758 
1 1 1  -31    1   38 o  464.132   6.3152  1467.44   39.719  1452.57   55.995  1482.50   56.349  461.761   8.9484  466.503   8.9135 -4.742401 12.63035 
1 1 1  -31    1   39 o  313.911   5.2311  670.174   22.252  674.423   31.614  666.001   31.326  314.896   7.4086  312.927   7.3871 1.968933 10.46211 
1 1 1  -31    1   40 o  310.123   5.2165  654.102   21.922  662.909   31.156  645.468   30.850  312.192   7.3644  308.053   7.3900 4.138306 10.43297 
1 1 1  -31    1   41 o  242.584   4.9342  400.116   16.220  402.311   23.010  397.947   22.868  243.245   6.9806  241.923   6.9754 1.322235 9.868382 
1 1 1  -31    1   42 o  237.164   5.9092  382.967   18.085  382.738   22.390  383.397   30.677  237.247   6.9642  237.081   9.5485 0.1662903 11.81836 
1 1 1  -31    1   43 o  184.074   5.8483  230.878   13.996  231.179   17.491  230.343   23.336  184.374   7.0004  183.774   9.3703 0.6003418 11.69656 
1 1 1  -31    1   44 o  193.137   4.9326  253.815   12.896  239.667   18.193  268.105   18.284  187.706   7.1522  198.568   6.7949 -10.86179 9.865274 
1 1 1  -31    1   45 o  178.366   5.9347  211.155   13.615  234.335   23.801  199.882   16.599  185.319   9.4774  171.413   7.1457 13.90588 11.86939 
1 1 1  -31    1   46 o  378.489   6.9754  980.873   33.856  969.817   57.988  986.591   41.701  376.386   11.369  380.591   8.0854 -4.205292 13.95088 
1 1 1  -31    1   47 o  147.478   5.4654  148.062   10.920  149.339   15.640  146.847   15.254  148.093   7.7934  146.864   7.6645 1.229233 10.93078 
1 1 1  -31    1   48 o  177.699   5.1656  215.079   12.423  202.466   17.559  227.723   17.580  172.455   7.5133  182.943   7.0912 -10.48734 10.33128 
1 1 1  -31    1   49 o  201.392   6.3497  279.494   16.158  268.870   28.283  284.642   19.687  198.264   10.527  204.520   7.1034 -6.256393 12.69938 
1 1 1  -31    1   50 o  169.198   6.4445  191.001   13.773  207.468   24.846  183.697   16.547  174.139   10.529  164.257   7.4340 9.881882 12.88892 
1 1 1  -31    1   51 o  142.451   7.0202  137.850   12.374  136.597   14.723  140.862   22.833  141.610   7.6724  143.293   11.759 -1.683197 14.04042 
1 1 1  -31    1   52 o  131.030   7.3718  118.236   11.822  119.231   14.024  115.791   21.978  132.277   7.8235  129.784   12.497 2.492523 14.74358 
1 1 1  -31    1   53 o  253.096   5.1500  436.237   17.663  432.556   24.872  439.983   25.088  252.019   7.2827  254.173   7.2836 -2.154068 10.29992 
1 1 1  -31    1   54 o  217.826   5.1189  323.189   15.110  322.878   21.415  323.497   21.322  217.718   7.2586  217.933   7.2198 -0.2149658 10.23779 
1 1 1  -31    1   55 o  219.045   5.1290  326.584   15.210  347.765   21.849  306.672   21.185  225.948   7.1359  212.141   7.3692 13.80644 10.25803 
1 1 1  -31    1   56 o  274.747   5.2749  514.044   19.611  476.669   27.287  553.979   28.205  264.393   7.6158  285.101   7.3005 -20.70859 10.54977 
1 1 1  -31    1   57 o  353.244   5.6713  851.411   27.140  824.046   37.976  879.979   38.802  347.430   8.0660  359.058   7.9746 -11.62775 11.34260 
1 1 1  -31    1   58 o  342.918   5.6163  802.723   26.096  817.094   37.264  788.894   36.556  345.926   7.9492  339.909   7.9361 6.017456 11.23262 
1 1 1  -31    1   59 o  305.661   5.4188  637.617   22.440  651.495   32.147  624.426   31.339  308.899   7.6796  302.424   7.6470 6.475616 10.83759 
1 1 1  -31    1   60 o  164.212   6.2638  183.705   13.456  180.923   16.894  188.534   22.256  162.744   7.6602  165.680   9.9129 -2.935577 12.52769 
1 1 1  -31    1   61 o  186.114   6.1607  238.303   14.937  240.900   18.768  233.817   24.670  187.798   7.3749  184.431   9.8706 3.366684 12.32145 
1 1 1  -31    1   62 f  327.895   6.6424  729.773   27.982  767.003   48.432  711.119   34.282  333.408   10.719  322.382   7.8472 11.02588 13.28483 
1 1 1  -31    1   63 o  272.820   6.3701  511.866   22.459  509.469   37.891  513.164   27.886  271.758   10.289  273.882   7.5134 -2.124084 12.74024 
1 1 1  -31    1   64 o  271.101   5.2996  503.111   19.469  495.526   27.446  510.792   27.620  269.032   7.5283  273.170   7.4611 -4.137848 10.59925 
1 1 1  -31    1   65 o  104.831   6.4586   75.676   9.1636   80.838   13.088   70.712   12.834  108.378   8.9115  101.283   9.3508 7.094505 12.91713 
1 1 1  -31    1   66 o  161.786   7.1419  184.986   14.178  171.954   25.829  190.607   16.962  156.850   12.152  166.723   7.5077 -9.872009 14.28387 
1 1 1  -31    1   67 o  119.006   7.4111   89.994   11.089  121.822   20.928   77.572   13.075  132.022   11.698  105.991   9.1028 26.03046 14.82211 
1 1 1  -31    1   68 o  148.664   7.0129  151.342   12.957  148.252   15.438  158.704   23.831  146.822   7.7592  150.507   11.684 -3.684326 14.02589 
1 1 1  -31    1   69 o  206.450   5.1777  292.928   14.484  298.474   20.596  287.501   20.374  208.395   7.2930  204.505   7.3517 3.889969 10.35547 
1 1 1  -31    1   70 o  152.982   6.3097  160.327   12.699  154.459   16.007  170.291   20.858  149.629   7.8944  156.336   9.8452 -6.707535 12.61939 
1 1 1  -31    1   71 o  117.541   8.3673   97.314   13.064  100.023   20.718   95.525   16.833  118.419   12.911  116.664   10.647 1.755341 16.73467 
1 1 1  -31    1   72 o  183.611   5.2839  232.977   13.132  228.099   18.902  237.527   18.258  181.656   7.6787  185.566   7.2607 -3.910538 10.56787 
1 1 1  -31    1   73 o  131.106   5.6136  119.265   9.9220  104.207   13.854  135.122   14.217  122.445   8.3492  139.767   7.5061 -17.32181 11.22723 
1 1 1  -31    1   74 o   74.283   7.2806   39.017   7.3156   36.465   10.356   41.559   10.336   71.750   10.651   76.816   9.9294 -5.066063 14.56118 
1 1 1  -31    1   75 o   82.329   7.8626   48.263   8.5197   47.888   10.832   48.873   13.796   82.409   9.6996   82.249   12.377 0.1607819 15.72523 
1 1 1  -31    1   76 o   76.878   9.6347   44.247   9.6632   33.733   13.405   55.619   13.942   65.925   15.300   87.832   11.714 -21.90623 19.26943 
1 1 1  -31    1   77 o   91.782   8.2662   61.002   10.271   61.067   14.850   60.943   14.222   91.696   11.951   91.869   11.424 -0.1726990 16.53249 
1 1 1  -31    1   78 o   55.961   10.661   24.643   8.4991   17.565   11.987   31.797   12.052   47.873   15.859   64.048   14.253 -16.17573 21.32225 
1 1 1  -31    1   79 o  127.421   7.2425  116.573   12.492  124.366   17.925  109.214   17.418  131.699   10.043  123.144   10.438 8.554489 14.48508 
1 1 1  -31    1   80 o   57.006   10.693   25.918   8.6203   18.601   12.053   33.580   12.334   48.587   15.893   65.425   14.309 -16.83836 21.38549 
1 1 1  -31    2    1 o  158.861   4.4805  171.014   9.6340  182.137   14.002  161.014   13.276  163.757   6.3096  153.966   6.3631 9.791397 8.961030 
1 1 1  -31    2    2 o  493.149   9.1318  1656.02   61.027  1656.02   61.027   0.0000   0.0000  493.149   9.1318  ?   ?       ?      ? 
1 1 1  -31    2    3 o  384.105   5.5547  1002.18   28.897  1042.62   41.673  964.729   40.105  391.560   7.8536  376.650   7.8574 14.91040 11.10938 
1 1 1  -31    2    4 o  275.627   6.8542  516.158   25.601  516.158   25.601   0.0000   0.0000  275.627   6.8542  ?   ?       ?      ? 
1 1 1  -31    2    5 o  314.347   5.0450  671.143   21.484  685.421   30.859  657.714   29.929  317.585   7.1704  311.109   7.0989 6.476074 10.09004 
1 1 1  -31    2    6 o  129.513   4.6999  114.051   8.2398  110.717   11.816  117.208   11.497  127.660   6.8300  131.367   6.4581 -3.707336 9.399779 
1 1 1  -31    2    7 o  209.514   4.5651  297.552   12.949  313.534   18.793  283.108   17.866  214.860   6.4545  204.169   6.4575 10.69119 9.130120 
1 1 1  -31    2    8 o  251.284   4.7604  428.546   16.195  437.191   23.513  420.743   22.337  253.683   6.8398  248.885   6.6229 4.797409 9.520776 
1 1 1  -31    2    9 o  262.078   5.7293  448.688   18.978  517.835   34.630  419.007   22.689  275.794   9.2659  248.363   6.7412 27.43161 11.45861 
1 1 1  -31    2   10 o  263.655   6.5970  472.137   23.570  472.137   23.570   0.0000   0.0000  263.655   6.5970  ?   ?       ?      ? 
1 1 1  -31    2   11 o  524.859   9.4709  1875.75   67.362  1875.75   67.362   0.0000   0.0000  524.859   9.4709  ?   ?       ?      ? 
1 1 1  -31    2   12 o  403.874   8.0048  1109.09   43.811  1109.09   43.811   0.0000   0.0000  403.874   8.0048  ?   ?       ?      ? 
1 1 1  -31    2   13 o  299.356   5.6982  614.623   20.303  620.522   23.681  598.255   39.447  302.348   5.7798  296.365   9.8220 5.983154 11.39640 
1 1 1  -31    2   14 o  396.594   6.4614  1062.87   30.229  1055.00   34.943  1086.28   60.265  394.135   6.5423  399.052   11.144 -4.917358 12.92278 
1 1 1  -31    2   15 o  410.144   6.6316  1156.14   32.295  1168.17   37.628  1122.49   62.925  414.713   6.6955  405.575   11.449 9.137665 13.26318 
1 1 1  -31    2   16 o  422.526   5.8390  1213.83   33.429  1193.36   46.836  1235.09   47.727  418.897   8.2507  426.155   8.2644 -7.257751 11.67797 
1 1 1  -31    2   17 o  387.792   5.5574  1022.26   29.203  1005.53   41.077  1039.36   41.525  384.581   7.8818  391.003   7.8369 -6.422302 11.11489 
1 1 1  -31    2   18 o  300.306   4.9439  612.559   20.117  622.245   28.696  603.197   28.211  302.639   6.9970  297.972   6.9864 4.666931 9.887780 
1 1 1  -31    2   19 o  403.385   5.6895  1106.44   31.101  1096.94   43.930  1115.99   44.035  401.644   8.0713  405.126   8.0210 -3.482941 11.37901 
1 1 1  -31    2   20 o  525.143   6.7391  1877.75   47.956  1893.09   68.224  1862.76   67.422  527.259   9.5484  523.027   9.5125 4.232117 13.47813 
1 1 1  -31    2   21 o  258.220   4.7609  452.698   16.650  431.107   23.291  475.261   23.810  251.917   6.8226  264.522   6.6421 -12.60406 9.521897 
1 1 1  -31    2   22 o  269.859   4.8122  494.649   17.596  498.156   25.096  491.258   24.679  270.796   6.8388  268.921   6.7721 1.874573 9.624473 
1 1 1  -31    2   23 o  245.262   5.7245  406.726   17.923  416.074   31.257  402.147   21.878  247.202   9.3306  243.322   6.6350 3.880371 11.44910 
1 1 1  -31    2   24 o  215.174   5.6413  317.489   15.498  306.826   26.633  322.948   19.057  212.286   9.2580  218.062   6.4489 -5.776382 11.28268 
1 1 1  -31    2   25 o  124.099   5.9979  104.692   9.3436  105.005   16.741  104.550   11.261  124.138   9.9515  124.060   6.6981 0.7855225E-01 11.99574 
1 1 1  -31    2   26 o  320.870   6.3257  699.509   25.785  704.597   45.222  697.058   31.387  321.477   10.380  320.262   7.2321 1.215820 12.65137 
1 1 1  -31    2   27 o  273.316   6.0066  506.353   20.863  513.844   36.633  502.756   25.382  274.611   9.8441  272.022   6.8856 2.588989 12.01321 
1 1 1  -31    2   28 o  386.237   5.6306  1014.55   29.470  1004.73   41.599  1024.45   41.755  384.357   7.9867  388.117   7.9390 -3.760773 11.26123 
1 1 1  -31    2   29 f  506.947   6.6223  1750.42   45.493  1752.70   64.525  1748.16   64.151  507.270   9.3865  506.624   9.3441 0.6457520 13.24459 
1 1 1  -31    2   30 o  155.728   4.7337  164.796   9.9847  163.724   14.324  165.808   13.925  155.229   6.8095  156.228   6.5775 -0.9993134 9.467444 
1 1 1  -31    2   31 o   83.574   5.9796   47.394   6.7619   50.235   9.8946   44.905   9.2623   85.915   8.4986   81.232   8.4141 4.682724 11.95921 
1 1 1  -31    2   32 o  353.124   5.4081  847.998   25.878  846.581   36.769  849.389   36.427  352.825   7.6903  353.424   7.6058 -0.5987854 10.81618 
1 1 1  -31    2   33 o  345.189   5.3737  809.825   25.129  829.946   36.098  790.904   35.004  349.342   7.6251  341.035   7.5741 8.307465 10.74750 
1 1 1  -31    2   34 o  236.203   5.8918  371.316   17.741  355.946   21.482  404.286   31.462  228.848   6.9270  243.558   9.5325 -14.71043 11.78354 
1 1 1  -31    2   35 o  258.868   6.0826  458.386   20.088  462.679   24.632  449.861   34.709  260.901   6.9670  256.835   9.9726 4.065430 12.16516 
1 1 1  -31    2   36 o  346.969   5.3911  818.247   25.338  841.477   36.466  796.562   35.233  351.722   7.6508  342.216   7.5974 9.506195 10.78217 
1 1 1  -31    2   37 o  353.278   5.4547  849.114   26.112  839.152   36.987  859.012   36.869  351.202   7.7715  355.355   7.6562 -4.152985 10.90936 
1 1 1  -31    2   38 o  265.067   4.9780  477.314   17.874  492.074   25.718  463.523   24.859  269.026   7.0543  261.108   7.0256 7.917847 9.956059 
1 1 1  -31    2   39 o  246.031   4.9320  411.553   16.443  409.646   23.285  413.451   23.224  245.460   7.0002  246.603   6.9495 -1.143326 9.864047 
1 1 1  -31    2   40 f  271.706   6.0237  499.655   21.171  492.363   26.193  513.395   35.956  269.069   7.1836  274.344   9.6714 -5.275513 12.04740 
1 1 1  -31    2   41 o  277.223   6.0773  523.964   21.800  524.957   27.089  522.139   36.722  277.819   7.1953  276.627   9.7961 1.192657 12.15465 
1 1 1  -31    2   42 o  391.905   5.7786  1045.86   30.688  1033.39   43.314  1058.43   43.486  389.552   8.2050  394.259   8.1393 -4.707550 11.55727 
1 1 1  -31    2   43 o  364.173   5.6035  902.885   27.652  904.873   39.351  900.945   38.865  364.560   7.9653  363.785   7.8836 0.7742920 11.20703 
1 1 1  -31    2   44 o  364.262   5.6061  902.460   27.658  935.640   39.915  871.817   38.359  370.691   7.9458  357.833   7.9105 12.85870 11.21214 
1 1 1  -31    2   45 o  216.469   5.0028  318.134   14.661  334.811   21.298  303.115   20.212  221.849   7.0843  211.089   7.0657 10.75999 10.00556 
1 1 1  -31    2   46 o  334.513   6.6405  753.271   28.362  794.443   49.780  733.482   34.511  340.811   10.779  328.215   7.7592 12.59613 13.28096 
1 1 1  -31    2   47 f  269.813   6.6812  490.321   22.308  513.171   41.402  480.974   26.480  273.791   11.159  265.835   7.3507 7.956421 13.36243 
1 1 1  -31    2   48 o  268.138   6.4681  497.198   22.008  471.421   38.061  510.145   26.975  262.499   10.700  273.777   7.2708 -11.27887 12.93624 
1 1 1  -31    2   49 o  213.809   5.0720  311.176   14.693  307.969   20.897  314.311   20.664  212.709   7.2495  214.909   7.0955 -2.199509 10.14402 
1 1 1  -31    2   50 o  249.072   5.1073  422.253   17.238  427.394   24.528  417.236   24.230  250.569   7.2235  247.574   7.2222 2.995209 10.21465 
1 1 1  -31    2   51 o  172.188   5.1388  201.882   11.986  194.650   16.894  209.214   17.008  169.070   7.3736  175.306   7.1595 -6.235962 10.27758 
1 1 1  -31    2   52 o  246.951   6.4842  420.955   20.180  428.958   24.537  404.229   35.474  250.990   7.2142  242.911   10.776 8.078995 12.96831 
1 1 1  -31    2   53 o  175.752   6.7392  214.754   14.703  220.467   17.700  202.040   26.406  179.915   7.2599  171.590   11.356 8.324829 13.47832 
1 1 1  -31    2   54 o  258.620   5.1670  455.656   18.108  458.072   25.751  453.293   25.468  259.294   7.3285  257.946   7.2860 1.347961 10.33399 
1 1 1  -31    2   55 o  145.654   5.4571  144.749   10.757  135.809   15.164  153.805   15.262  141.098   7.9309  150.209   7.4980 -9.111145 10.91413 
1 1 1  -31    2   56 o  259.696   5.1992  459.632   18.294  470.959   26.101  448.694   25.649  262.845   7.3278  256.546   7.3776 6.299103 10.39836 
1 1 1  -31    2   57 o  397.868   5.9578  1081.35   32.117  1100.14   45.911  1063.35   44.945  401.243   8.4436  394.493   8.4074 6.750122 11.91554 
1 1 1  -31    2   58 o  328.577   5.5189  736.763   24.567  755.853   35.226  718.685   34.279  332.716   7.8128  324.437   7.7969 8.278564 11.03773 
1 1 1  -31    2   59 o  104.673   7.1924   73.766   10.000   68.183   12.741   82.723   16.139   99.720   9.4286  109.626   10.864 -9.906837 14.38488 
1 1 1  -31    2   60 o   39.145   10.497   6.2853   7.7724   1.4347   10.074   13.419   12.217   32.417   13.597   45.873   15.997 -13.45573 20.99471 
1 1 1  -31    2   61 o  126.593   5.8323  110.172   9.9490   97.283   14.117  122.891   14.023  119.125   8.7451  134.061   7.7191 -14.93605 11.66452 
1 1 1  -31    2   62 o  140.032   6.6181  135.237   11.926  133.299   20.250  136.265   14.756  138.943   10.755  141.122   7.7160 -2.179489 13.23628 
1 1 1  -31    2   63 o  201.663   6.1653  277.342   16.072  285.665   27.333  272.944   19.869  203.570   9.9080  199.757   7.3401 3.813446 12.33069 
1 1 1  -31    2   64 o   99.223   6.4766   67.771   8.7079   67.783   12.382   67.760   12.249   99.223   9.2084   99.223   9.1099 -0.7629395E-05 12.95312 
1 1 1  -31    2   65 o  123.010   8.2688  102.668   13.521  119.485   21.849   92.230   17.213  130.775   12.329  115.246   11.022 15.52905 16.53760 
1 1 1  -31    2   66 f  165.979   7.6698  194.615   16.929  169.690   25.413  214.501   22.699  155.782   12.038  176.177   9.5076 -20.39531 15.33961 
1 1 1  -31    2   67 o  117.504   5.8752   94.764   9.3347  103.948   13.618   86.624   12.820  122.886   8.1777  112.122   8.4378 10.76328 11.75033 
1 1 1  -31    2   68 o  101.482   8.0761   71.364   10.214   70.197   12.214   74.080   18.628  100.753   8.9454  102.211   13.449 -1.457916 16.15217 
1 1 1  -31    2   69 o   88.074   9.5042   59.335   9.7817   64.707   11.809   47.592   17.459   96.637   9.0176   79.511   16.733 17.12532 19.00847 
1 1 1  -31    2   70 o  104.442   6.1795   75.744   8.7293   71.638   12.475   79.683   12.219  101.575   9.0632  107.309   8.4025 -5.733597 12.35894 
1 1 1  -31    2   71 o  140.772   5.4504  136.808   10.394  139.448   14.923  134.320   14.486  142.075   7.7510  139.468   7.6648 2.606903 10.90075 
1 1 1  -31    2   72 o   84.754   6.8492   50.226   7.8622   52.087   11.347   48.509   10.903   86.256   9.7078   83.252   9.6646 3.003716 13.69843 
1 1 1  -31    2   73 o   45.937   9.7581   15.553   6.6517   12.347   9.4385   18.716   9.3758   41.902   14.076   49.972   13.518 -8.069901 19.51621 
1 1 1  -31    2   74 f   85.828   6.6761   51.813   7.7025   43.858   10.739   60.239   11.054   78.831   10.053   92.825   8.7872 -13.99465 13.35214 
1 1 1  -31    2   75 o   70.726   9.0354   37.879   8.1286   41.309   10.442   32.606   12.949   76.371   10.090   65.080   14.991 11.29089 18.07077 
1 1 1  -31    2   76 o   97.263   8.1914   68.099   10.749   76.960   15.540   59.971   14.883  103.574   11.072   90.953   12.075 12.62132 16.38278 
1 1 1  -31    2   77 o   55.435   10.676   23.813   8.6359   14.657   12.047   33.492   12.386   44.977   15.871   65.893   14.283 -20.91584 21.35166 
1 1 1  -31    2   78 o   68.442   10.158   36.378   9.1202   34.559   12.990   38.146   12.808   66.455   14.804   70.430   13.913 -3.975113 20.31559 
1 1 1  -31    2   79 o   90.183   8.3777   59.554   10.222   64.353   14.772   55.145   14.160   93.793   11.622   86.573   12.069 7.219505 16.75535 
1 1 1  -31    2   80 o  128.712   10.315  119.704   17.992   0.0000   0.0000  119.704   17.992  ?   ?   128.712   10.315      ?      ? 
1 1 1  -31    3    1 o  277.237   4.7791  521.858   17.936  530.830   26.059  513.781   24.724  279.485   6.8804  274.989   6.6347 4.496185 9.558183 
1 1 1  -31    3    2 o  385.837   5.5346  1012.75   28.931  995.894   41.126  1029.27   40.707  382.638   7.9313  389.036   7.7214 -6.398376 11.06915 
1 1 1  -31    3    3 o  405.456   5.7050  1115.97   31.308  1165.93   45.671  1071.68   43.002  413.984   8.1409  396.928   7.9946 17.05658 11.41002 
1 1 1  -31    3    4 o  342.899   6.3553  801.699   28.199  804.417   35.055  796.716   47.466  343.973   7.5204  341.825   10.247 2.147766 12.71055 
1 1 1  -31    3    5 o  281.038   5.8755  541.094   21.442  550.813   26.872  524.063   35.574  284.707   6.9651  277.369   9.4644 7.338074 11.75103 
1 1 1  -31    3    6 o  237.892   5.6441  388.061   17.430  396.322   21.856  373.624   28.892  241.533   6.6775  234.250   9.1014 7.282516 11.28826 
1 1 1  -31    3    7 o  312.754   7.2322  664.796   30.652  664.796   30.652   0.0000   0.0000  312.754   7.2322  ?   ?       ?      ? 
1 1 1  -31    3    8 o  389.977   6.8484  1048.58   34.592  1080.88   43.375  992.150   57.338  398.657   8.0290  381.297   11.097 17.35995 13.69687 
1 1 1  -31    3    9 o  410.913   6.5609  1146.42   31.863  1142.94   36.908  1156.60   63.134  410.188   6.6399  411.639   11.318 -1.451141 13.12188 
1 1 1  -31    3   10 o  337.621   5.9446  785.638   23.935  797.278   27.985  753.932   46.188  342.670   6.0266  332.572   10.249 10.09869 11.88923 
1 1 1  -31    3   11 o  253.628   5.3763  445.262   16.319  454.715   19.150  420.194   31.184  258.836   5.4598  248.421   9.2633 10.41504 10.75256 
1 1 1  -31    3   12 o  469.159   7.1872  1521.82   40.191  1546.70   47.004  1454.18   77.508  477.062   7.2707  461.256   12.400 15.80606 14.37442 
1 1 1  -31    3   13 o  441.161   6.8617  1312.56   35.688  1299.19   41.214  1352.62   71.348  437.286   6.9550  445.037   11.831 -7.751312 13.72349 
1 1 1  -31    3   14 o  341.345   6.1002  791.141   28.217  791.141   28.217   0.0000   0.0000  341.345   6.1002  ?   ?       ?      ? 
1 1 1  -31    3   15 f  329.787   6.0233  738.428   26.918  738.428   26.918   0.0000   0.0000  329.787   6.0233  ?   ?       ?      ? 
1 1 1  -31    3   16 o  326.444   5.9130  735.448   23.110  747.888   27.095  702.241   44.268  331.892   6.0243  320.996   10.177 10.89618 11.82604 
1 1 1  -31    3   17 o  332.471   5.9686  762.905   23.795  775.941   27.924  728.348   45.465  338.051   6.0957  326.891   10.264 11.15985 11.93719 
1 1 1  -31    3   18 o  437.789   7.3185  1319.70   41.174  1263.95   69.634  1349.68   51.056  430.169   11.945  445.409   8.4587 -15.24020 14.63705 
1 1 1  -31    3   19 o  467.277   7.5932  1483.33   45.234  1506.37   78.930  1472.05   55.197  469.459   12.407  465.094   8.7577 4.365143 15.18646 
1 1 1  -31    3   20 o  258.805   5.7196  451.513   18.856  467.275   33.114  443.949   22.938  261.959   9.3282  255.651   6.6210 6.308365 11.43911 
1 1 1  -31    3   21 o  352.366   5.3111  843.586   25.353  860.241   36.415  827.919   35.319  355.733   7.5539  348.999   7.4679 6.734070 10.62220 
1 1 1  -31    3   22 o  401.436   5.6890  1095.82   30.944  1106.50   44.176  1085.53   43.360  403.350   8.0820  399.523   8.0087 3.826935 11.37799 
1 1 1  -31    3   23 o  403.425   5.7208  1106.16   31.264  1136.93   44.967  1077.36   43.497  408.847   8.1161  398.002   8.0647 10.84509 11.44165 
1 1 1  -31    3   24 o  317.308   5.0993  684.256   21.925  686.456   31.227  682.117   30.791  317.806   7.2508  316.810   7.1719 0.9954529 10.19855 
1 1 1  -31    3   25 o  249.492   4.7499  422.983   16.055  413.877   22.765  431.995   22.646  246.811   6.8066  252.174   6.6270 -5.362289 9.499797 
1 1 1  -31    3   26 f  293.031   4.9776  583.360   19.761  590.802   28.322  576.300   27.585  294.845   7.0885  291.216   6.9900 3.629150 9.955239 
1 1 1  -31    3   27 o  359.879   5.4247  880.677   26.453  878.899   37.651  882.411   37.173  359.511   7.7283  360.247   7.6146 -0.7364197 10.84936 
1 1 1  -31    3   28 o  415.324   7.2420  1191.37   38.434  1129.66   65.573  1223.67   47.437  406.562   11.902  424.086   8.2543 -17.52414 14.48407 
1 1 1  -31    3   29 o  398.526   7.0436  1076.27   35.562  1100.94   62.925  1064.69   43.106  401.438   11.567  395.613   8.0406 5.824738 14.08711 
1 1 1  -31    3   30 o  276.286   4.9195  518.826   18.416  516.221   26.253  521.350   25.839  275.595   7.0294  276.978   6.8842 -1.383026 9.838921 
1 1 1  -31    3   31 o  240.156   4.7833  391.815   15.561  395.634   22.361  388.229   21.669  241.283   6.8388  239.030   6.6897 2.253265 9.566621 
1 1 1  -31    3   32 o  385.920   5.6479  1013.24   29.534  1015.47   42.071  1011.08   41.471  386.328   8.0361  385.512   7.9382 0.8159180 11.29574 
1 1 1  -31    3   33 o  430.341   5.9996  1260.49   34.983  1274.39   49.959  1247.12   49.002  432.660   8.5209  428.022   8.4483 4.637451 11.99915 
1 1 1  -31    3   34 o  359.119   5.4698  877.341   26.617  863.517   37.610  891.212   37.674  356.275   7.7900  361.963   7.6805 -5.688446 10.93957 
1 1 1  -31    3   35 o  247.801   6.0374  413.934   19.017  406.276   23.080  430.131   33.564  244.469   6.9666  251.132   9.8625 -6.663116 12.07484 
1 1 1  -31    3   36 o  212.853   5.9194  302.455   16.007  291.795   19.343  325.613   28.510  207.184   6.8895  218.523   9.6277 -11.33904 11.83878 
1 1 1  -31    3   37 o  340.245   6.4677  785.388   28.341  777.523   34.927  800.549   48.491  338.065   7.6239  342.425   10.450 -4.360840 12.93542 
1 1 1  -31    3   38 o  424.042   7.2565  1228.38   39.617  1230.41   48.955  1224.54   67.440  425.045   8.4992  423.040   11.764 2.005432 14.51299 
1 1 1  -31    3   39 o  340.718   5.3911  789.956   24.890  783.372   35.320  796.451   35.080  339.297   7.6817  342.139   7.5662 -2.842377 10.78221 
1 1 1  -31    3   40 o  240.838   4.9145  393.937   16.028  406.730   23.214  382.282   22.156  244.563   7.0044  237.112   6.8954 7.450974 9.828920 
1 1 1  -31    3   41 o  303.871   5.1994  627.813   21.401  640.484   30.834  616.035   29.726  306.817   7.4159  300.925   7.2895 5.892120 10.39873 
1 1 1  -31    3   42 o  443.438   6.1921  1340.23   37.208  1330.89   52.658  1349.54   52.583  441.884   8.7937  444.991   8.7199 -3.106659 12.38414 
1 1 1  -31    3   43 o  353.494   5.5461  850.781   26.567  847.625   37.683  853.900   37.460  352.834   7.8812  354.154   7.8054 -1.319977 11.09218 
1 1 1  -31    3   44 o  165.906   5.1234  187.422   11.504  176.532   16.257  198.347   16.283  161.055   7.4486  170.757   7.0366 -9.701859 10.24678 
1 1 1  -31    3   45 o  152.621   11.640  159.572   24.073  159.572   24.073   0.0000   0.0000  152.621   11.640  ?   ?       ?      ? 
1 1 1  -31    3   46 o  153.914   6.9901  159.323   13.108  167.556   24.999  156.201   15.394  156.350   11.799  151.478   7.4991 4.871750 13.98030 
1 1 1  -31    3   47 o  345.077   6.8570  825.943   30.195  774.507   51.484  852.914   37.280  336.270   11.298  353.884   7.7738 -17.61401 13.71404 
1 1 1  -31    3   48 o  393.558   5.8633  1055.56   31.263  1024.72   43.908  1087.27   44.525  387.710   8.3570  399.406   8.2263 -11.69626 11.72656 
1 1 1  -31    3   49 o  278.056   5.1922  526.039   19.558  540.127   28.116  512.831   27.223  281.656   7.3664  274.456   7.3194 7.200653 10.38450 
1 1 1  -31    3   50 o  371.875   5.7172  942.547   28.808  950.357   41.096  935.002   40.395  373.379   8.1221  370.371   8.0484 3.008362 11.43438 
1 1 1  -31    3   51 o  346.610   5.5736  818.887   26.178  810.454   37.082  827.265   36.961  344.817   7.9358  348.403   7.8285 -3.585724 11.14730 
1 1 1  -31    3   52 o  208.037   5.1133  294.543   14.410  304.660   20.699  285.029   20.073  211.503   7.2219  204.572   7.2406 6.930450 10.22652 
1 1 1  -31    3   53 o  160.678   6.8654  176.635   13.786  176.653   16.567  176.594   24.860  160.990   7.5939  160.365   11.440 0.6255646 13.73073 
1 1 1  -31    3   54 o  289.760   5.3112  572.015   20.849  587.611   29.908  557.270   29.080  293.599   7.5171  285.922   7.5052 7.677704 10.62233 
1 1 1  -31    3   55 o  197.823   5.1977  267.090   13.915  253.155   19.781  280.742   19.579  192.672   7.5761  202.975   7.1181 -10.30325 10.39540 
1 1 1  -31    3   56 o  280.921   5.2819  538.062   20.102  546.282   28.826  530.281   28.048  282.997   7.5167  278.845   7.4225 4.152313 10.56380 
1 1 1  -31    3   57 o  206.201   5.1602  290.161   14.411  280.482   20.450  299.710   20.311  202.756   7.4428  209.646   7.1494 -6.890701 10.32037 
1 1 1  -31    3   58 o  274.027   6.2490  512.783   22.271  509.458   27.798  518.742   37.215  273.182   7.5088  274.872   9.9908 -1.689575 12.49793 
1 1 1  -31    3   59 o  189.928   6.0458  245.639   15.108  241.540   19.124  252.446   24.643  188.056   7.5045  191.801   9.4811 -3.745407 12.09166 
1 1 1  -31    3   60 o   77.629   10.981   43.016   10.874   46.533   17.769   40.910   13.749   79.767   16.960   75.491   13.954 4.276550 21.96274 
1 1 1  -31    3   61 o   95.774   8.6031   65.159   10.134   59.859   18.321   67.496   12.165   92.398   14.632   99.150   9.0536 -6.751244 17.20617 
1 1 1  -31    3   62 o  129.362   5.7391  114.410   10.049  120.937   14.645  108.605   13.813  132.836   8.1358  125.888   8.0967 6.947433 11.47818 
1 1 1  -31    3   63 o  177.462   6.2455  216.839   14.252  215.374   24.285  217.608   17.602  176.597   10.148  178.328   7.2837 -1.730927 12.49108 
1 1 1  -31    3   64 o  141.860   7.4595  139.482   12.802  139.191   24.323  139.594   15.057  141.051   12.725  142.668   7.7879 -1.616501 14.91901 
1 1 1  -31    3   65 o  145.205   7.5112  155.543   13.096  124.956   23.634  169.098   15.733  133.358   13.078  157.051   7.3924 -23.69366 15.02235 
1 1 1  -31    3   66 o  197.080   5.2384  266.643   13.968  247.683   19.636  286.062   19.873  189.910   7.6299  204.250   7.1798 -14.34036 10.47689 
1 1 1  -31    3   67 o  155.663   5.3749  166.608   11.335  163.748   16.117  169.407   15.945  154.310   7.7075  157.017   7.4936 -2.706848 10.74987 
1 1 1  -31    3   68 o  101.567   8.3232   73.253   10.453   74.408   12.534   70.615   18.942  103.679   8.9209   99.456   14.054 4.223557 16.64649 
1 1 1  -31    3   69 o   90.247   9.6505   62.931   10.044   68.792   12.052   49.606   18.172   99.602   8.9293   80.892   17.111 18.71023 19.30099 
1 1 1  -31    3   70 f  151.433   5.4076  158.218   11.095  162.505   15.831  154.079   15.554  153.461   7.6124  149.405   7.6824 4.056549 10.81516 
1 1 1  -31    3   71 f   55.328   9.5869   22.868   7.1445   20.889   10.090   24.858   10.118   52.838   13.904   57.818   13.203 -4.979683 19.17371 
1 1 1  -31    3   72 o   99.150   6.2416   68.656   8.3613   62.715   11.826   74.595   11.824   94.729   9.2122  103.571   8.4241 -8.842384 12.48321 
1 1 1  -31    3   73 o  150.921   5.3504  157.943   10.934  150.890   15.465  164.993   15.461  147.472   7.7385  154.369   7.3907 -6.896759 10.70082 
1 1 1  -31    3   74 o   80.580   8.5933   50.066   8.5422   60.931   11.241   35.218   13.141   93.249   8.8957   67.911   14.705 25.33822 17.18664 
1 1 1  -31    3   75 o   67.614   9.0730   34.258   7.9758   36.220   10.447   31.517   12.350   71.196   10.828   64.031   14.561 7.164543 18.14591 
1 1 1  -31    3   76 o   66.987   9.1746   34.530   7.9416   39.091   10.396   28.137   12.307   73.987   10.368   59.987   15.139 14.00010 18.34915 
1 1 1  -31    3   77 o   90.819   8.4082   59.654   10.210   73.898   15.106   47.676   13.852  101.179   11.017   80.459   12.705 20.71989 16.81649 
1 1 1  -31    3   78 o   89.810   8.3517   59.412   10.032   49.284   14.206   69.490   14.170   81.500   12.862   98.120   10.657 -16.61994 16.70348 
1 1 1  -31    3   79 o   43.309   15.294   13.821   11.190   0.0000   0.0000   13.821   11.190  ?   ?    43.309   15.294      ?      ? 
1 1 1  -31    3   80 o  157.973   9.7457  179.407   20.863   0.0000   0.0000  179.407   20.863  ?   ?   157.973   9.7457      ?      ? 
1 1 1  -31    4    1 o  478.922   6.2970  1562.51   40.859  1536.97   58.035  1587.61   57.535  475.010   9.0158  482.834   8.7933 -7.823334 12.59393 
1 1 1  -31    4    2 o  363.810   5.3720  898.101   26.440  934.365   38.780  866.601   36.143  370.635   7.7211  356.986   7.4711 13.64926 10.74396 
1 1 1  -31    4    3 o  284.129   4.8272  548.719   18.563  546.700   26.912  550.551   25.638  283.608   7.0024  284.649   6.6464 -1.041046 9.654428 
1 1 1  -31    4    4 o  290.325   6.7088  572.738   26.394   0.0000   0.0000  572.738   26.394  ?   ?   290.325   6.7088      ?      ? 
1 1 1  -31    4    5 f  294.944   4.9174  591.146   19.633  592.713   28.443  589.719   27.135  295.297   7.1077  294.591   6.7972 0.7069702 9.834732 
1 1 1  -31    4    6 o  303.509   4.9829  625.930   20.471  629.205   29.699  622.967   28.256  304.244   7.2034  302.773   6.8868 1.470123 9.965742 
1 1 1  -31    4    7 f  360.510   6.4623  890.886   30.088  904.608   37.438  865.857   50.562  364.744   7.5742  356.276   10.473 8.468567 12.92456 
1 1 1  -31    4    8 f  198.302   6.5282  257.002   17.184  332.806   27.760  209.909   21.880  221.046   9.2674  175.558   9.1970 45.48811 13.05639 
1 1 1  -31    4    9 o  249.940   6.6888  420.905   22.477  462.049   34.515  390.610   29.617  260.382   9.7818  239.497   9.1256 20.88434 13.37765 
1 1 1  -31    4   10 o  204.022   6.5066  279.268   17.794  311.625   27.750  256.674   23.189  213.866   9.5751  194.178   8.8125 19.68828 13.01320 
1 1 1  -31    4   11 o  284.245   10.251  550.897   39.486  550.897   39.486   0.0000   0.0000  284.245   10.251  ?   ?       ?      ? 
1 1 1  -31    4   12 o  281.213   10.253  539.196   39.074  539.196   39.074   0.0000   0.0000  281.213   10.253  ?   ?       ?      ? 
1 1 1  -31    4   13 o  200.592   5.5457  280.289   14.468  300.801   18.471  247.724   23.273  210.436   6.4773  190.748   9.0036 19.68817 11.09144 
1 1 1  -31    4   14 o  294.818   5.5988  594.318   19.874  598.151   23.314  584.125   38.016  296.821   5.7962  292.815   9.5806 4.006134 11.19750 
1 1 1  -31    4   15 o  470.488   7.1780  1519.92   40.263  1532.22   46.992  1485.96   78.079  474.784   7.3038  466.192   12.359 8.592621 14.35595 
1 1 1  -31    4   16 o  457.034   7.1629  1419.62   44.363  1419.62   44.363   0.0000   0.0000  457.034   7.1629  ?   ?       ?      ? 
1 1 1  -31    4   17 f  303.402   5.8769  625.002   24.163  625.002   24.163   0.0000   0.0000  303.402   5.8769  ?   ?       ?      ? 
1 1 1  -31    4   18 f  200.737   5.2312  277.643   12.701  282.352   14.981  265.603   23.953  203.957   5.4202  197.518   8.9489 6.439636 10.46238 
1 1 1  -31    4   19 o  282.687   5.5502  548.255   18.948  554.195   22.292  532.792   35.967  285.710   5.7575  279.664   9.4905 6.045807 11.10035 
1 1 1  -31    4   20 o  263.382   4.7685  470.465   17.003  497.759   24.623  445.585   23.509  270.674   6.7129  256.089   6.7742 14.58481 9.536920 
1 1 1  -31    4   21 o  200.713   4.5355  273.254   12.327  283.863   17.862  263.606   17.033  204.425   6.4479  197.001   6.3803 7.423935 9.071062 
1 1 1  -31    4   22 o  242.250   4.6660  398.620   15.312  400.885   21.986  396.486   21.337  242.911   6.6790  241.590   6.5175 1.321060 9.332057 
1 1 1  -31    4   23 f  175.671   4.5776  209.681   10.879  208.791   15.830  210.477   14.977  175.304   6.6636  176.037   6.2780 -0.7332153 9.155170 
1 1 1  -31    4   24 o  362.248   5.4124  892.444   26.566  879.678   37.668  905.077   37.472  359.657   7.7287  364.838   7.5793 -5.180847 10.82490 
1 1 1  -31    4   25 o  313.714   5.0818  668.774   21.597  676.573   31.006  661.424   30.100  315.481   7.2524  311.948   7.1205 3.533508 10.16360 
1 1 1  -31    4   26 o  294.448   4.9812  589.133   19.869  594.424   28.534  584.152   27.683  295.722   7.1203  293.175   6.9680 2.546783 9.962499 
1 1 1  -31    4   27 o  326.931   5.1960  726.484   23.013  734.658   33.011  718.755   32.100  328.710   7.4108  325.152   7.2850 3.558136 10.39194 
1 1 1  -31    4   28 o  286.860   4.9646  559.223   19.293  562.832   27.685  555.817   26.899  287.749   7.0999  285.971   6.9413 1.778381 9.929229 
1 1 1  -31    4   29 o  365.418   6.7213  889.339   30.843  965.010   56.243  856.795   36.884  375.909   11.041  354.926   7.6686 20.98376 13.44265 
1 1 1  -31    4   30 o  486.291   7.9439  1607.77   48.982  1637.70   86.423  1593.61   59.452  488.915   13.044  483.668   9.0707 5.247101 15.88787 
1 1 1  -31    4   31 o  484.893   6.4460  1601.95   42.355  1593.20   60.045  1610.62   59.754  483.561   9.1632  486.225   9.0687 -2.664307 12.89207 
1 1 1  -31    4   32 o  310.927   5.1427  657.143   21.660  665.339   31.146  649.466   30.143  312.793   7.3480  309.062   7.1970 3.730865 10.28543 
1 1 1  -31    4   33 o  303.493   5.1258  626.387   21.078  613.891   29.795  638.906   29.823  300.453   7.3178  306.534   7.1794 -6.081207 10.25152 
1 1 1  -31    4   34 o  343.764   6.4841  806.962   28.817  810.723   35.800  800.041   48.568  345.207   7.6527  342.322   10.470 2.884979 12.96828 
1 1 1  -31    4   35 o  258.616   5.9458  462.873   19.965  483.509   25.208  428.147   32.700  266.675   6.9755  250.557   9.6308 16.11853 11.89157 
1 1 1  -31    4   36 o  234.094   5.9878  366.916   17.830  355.502   21.591  391.389   31.615  228.660   6.9678  239.528   9.7398 -10.86821 11.97558 
1 1 1  -31    4   37 o  198.676   6.0585  272.538   15.358  280.215   18.931  257.759   26.266  203.012   6.8812  194.339   9.9734 8.672302 12.11693 
1 1 1  -31    4   38 o  291.781   5.1275  579.018   20.271  583.363   28.991  574.862   28.353  292.844   7.3055  290.719   7.1969 2.124786 10.25501 
1 1 1  -31    4   39 o  244.303   4.9381  405.737   16.344  412.162   23.448  399.665   22.793  246.178   7.0288  242.429   6.9381 3.749420 9.876288 
1 1 1  -31    4   40 o  294.063   5.1462  588.323   20.505  586.272   29.173  590.326   28.828  293.547   7.3336  294.579   7.2215 -1.031586 10.29232 
1 1 1  -31    4   41 o  254.920   4.9929  442.034   17.245  441.728   24.622  442.329   24.161  254.823   7.1302  255.016   6.9913 -0.1929474 9.985854 
1 1 1  -31    4   42 o  183.291   5.0670  228.918   12.560  221.848   18.176  235.381   17.377  180.550   7.4287  186.032   6.8929 -5.482071 10.13394 
1 1 1  -31    4   43 o  138.255   7.0126  126.599   11.961  140.129   22.600  121.334   14.098  143.021   11.661  133.489   7.7933 9.532288 14.02522 
1 1 1  -31    4   44 o  162.640   6.8090  182.037   13.596  177.184   25.115  184.050   16.171  160.827   11.524  164.454   7.2563 -3.627808 13.61790 
1 1 1  -31    4   45 o  284.018   5.2105  549.321   20.037  521.920   28.285  576.923   28.389  276.875   7.5385  291.161   7.1949 -14.28607 10.42097 
1 1 1  -31    4   46 o  307.897   5.2926  645.364   22.077  649.068   31.621  641.842   30.837  308.745   7.5578  307.050   7.4111 1.694550 10.58513 
1 1 1  -31    4   47 f  145.686   6.5395  142.911   11.919  150.077   21.718  139.823   14.258  148.061   10.824  143.311   7.3419 4.749771 13.07910 
1 1 1  -31    4   48 o  274.044   6.3772  519.168   22.169  493.551   38.391  531.985   27.155  268.537   10.550  279.552   7.1680 -11.01443 12.75442 
1 1 1  -31    4   49 o  232.218   5.0763  367.026   15.965  370.391   23.018  363.907   22.162  233.227   7.2830  231.209   7.0734 2.017731 10.15261 
1 1 1  -31    4   50 o  349.754   5.5986  833.886   26.530  811.823   37.400  856.232   37.639  345.076   7.9979  354.432   7.8365 -9.356110 11.19719 
1 1 1  -31    4   51 o  264.211   5.1982  475.729   18.604  461.904   26.382  489.405   26.239  260.366   7.4772  268.055   7.2234 -7.688599 10.39640 
1 1 1  -31    4   52 o  252.938   5.1634  436.005   17.691  431.712   25.297  440.114   24.750  251.697   7.4168  254.178   7.1856 -2.481781 10.32670 
1 1 1  -31    4   53 o  180.279   6.6279  219.880   15.105  215.643   18.241  229.125   26.946  177.844   7.5686  182.715   10.883 -4.870560 13.25586 
1 1 1  -31    4   54 o  238.484   6.6889  396.352   20.062  409.227   24.446  369.791   35.110  244.999   7.3630  231.968   11.169 13.03130 13.37775 
1 1 1  -31    4   55 o  251.076   7.2786  433.051   24.674  426.651   36.331  438.530   33.616  249.206   10.758  252.945   9.8069 -3.738739 14.55719 
1 1 1  -31    4   56 o  309.533   7.5998  659.035   31.807  653.628   46.442  663.812   43.652  308.179   11.121  310.888   10.361 -2.708771 15.19959 
1 1 1  -31    4   57 o  248.271   6.1976  425.293   20.124  435.274   25.508  408.839   32.750  252.512   7.4544  244.031   9.9033 8.481720 12.39525 
1 1 1  -31    4   58 o  231.165   5.1802  364.469   16.216  375.060   23.485  354.819   22.417  234.354   7.3951  227.976   7.2562 6.378235 10.36045 
1 1 1  -31    4   59 o  245.341   5.1924  411.305   17.259  405.554   24.562  416.913   24.257  243.620   7.4399  247.061   7.2451 -3.441757 10.38478 
1 1 1  -31    4   60 o  172.740   5.2573  204.542   12.244  180.014   17.243  229.481   17.387  162.180   7.8459  183.299   6.9999 -21.11899 10.51461 
1 1 1  -31    4   61 o  143.105   5.4748  140.117   10.610  142.910   15.334  137.553   14.697  144.455   7.8334  141.756   7.6505 2.698563 10.94958 
1 1 1  -31    4   62 o  199.189   5.1932  271.566   14.007  271.291   20.203  271.821   19.437  199.051   7.4897  199.326   7.1959 -0.2742767 10.38632 
1 1 1  -31    4   63 o  158.561   7.5576  172.314   16.239   0.0000   0.0000  172.314   16.239  ?   ?   158.561   7.5576      ?      ? 
1 1 1  -31    4   64 o  239.907   5.2992  395.064   17.200  388.134   24.922  401.365   23.767  237.803   7.7336  242.011   7.2469 -4.208023 10.59841 
1 1 1  -31    4   65 f  131.516   5.6252  118.706   10.016  124.190   14.556  113.775   13.802  134.387   7.9930  128.646   7.9172 5.740784 11.25032 
1 1 1  -31    4   66 o  121.693   5.7302  102.094   9.4401   98.710   13.497  105.334   13.209  119.663   8.3230  123.723   7.8782 -4.059959 11.46034 
1 1 1  -31    4   67 o  138.352   5.4628  132.194   10.188  116.597   14.386  147.886   14.430  130.010   8.1657  146.693   7.2589 -16.68230 10.92567 
1 1 1  -31    4   68 o  109.033   7.7004   74.707   10.491   62.658   12.285  107.167   20.163   94.905   9.5518  123.160   12.081 -28.25529 15.40074 
1 1 1  -31    4   69 o  101.297   8.4675   74.138   10.216   75.959   12.002   69.348   19.462  104.703   8.4590   97.892   14.671 6.810310 16.93508 
1 1 1  -31    4   70 o  140.330   5.4368  136.054   10.337  139.712   14.805  132.574   14.438  142.171   7.6844  138.489   7.6933 3.682465 10.87369 
1 1 1  -31    4   71 o  131.964   5.5451  120.619   9.9143  123.630   14.175  117.735   13.872  133.579   7.8307  130.348   7.8533 3.231644 11.09025 
1 1 1  -31    4   72 o   92.981   6.4967   60.408   8.1037   72.430   11.798   49.670   11.150  101.926   8.5414   84.035   9.7914 17.89087 12.99335 
1 1 1  -31    4   73 o   40.735   9.5805   10.954   7.0710   18.799   9.1928  -0.4128   11.065   49.915   13.337   31.556   13.758 18.35919 19.16102 
1 1 1  -31    4   74 o   94.168   7.0423   61.623   8.7364   57.906   10.994   67.992   14.391   90.790   8.9358   97.545   10.887 -6.755188 14.08467 
1 1 1  -31    4   75 o  119.018   10.316  101.046   16.639   0.0000   0.0000  101.046   16.639  ?   ?   119.018   10.316      ?      ? 
1 1 1  -31    4   76 o  163.632   6.9911  190.818   15.495  192.302   22.298  189.432   21.547  164.133   10.025  163.130   9.7468 1.002289 13.98220 
1 1 1  -31    4   77 o   80.614   9.4261   48.417   9.8581   63.413   14.735   36.266   13.264   93.205   11.666   68.022   14.809 25.18251 18.85223 
1 1 1  -31    4   78 o  104.951   10.751   79.831   15.290   0.0000   0.0000   79.831   15.290  ?   ?   104.951   10.751      ?      ? 
1 1 1  -31    4   79 o   62.426   14.652   30.956   12.182   0.0000   0.0000   30.956   12.182  ?   ?    62.426   14.652      ?      ? 
1 1 1  -31    4   80 o  141.659   9.9097  144.885   19.023   0.0000   0.0000  144.885   19.023  ?   ?   141.659   9.9097      ?      ? 
1 1 1  -31    5    1 o  371.800   5.3977  940.319   27.166  942.595   39.375  938.252   37.528  372.195   7.8068  371.405   7.4563 0.7899780 10.79549 
1 1 1  -31    5    2 o  419.082   5.7849  1195.38   32.829  1197.62   47.363  1193.30   45.545  419.424   8.3330  418.739   8.0262 0.6856995 11.56976 
1 1 1  -31    5    3 o  342.570   5.2022  796.583   24.102  820.458   35.419  775.995   32.891  347.312   7.5255  337.828   7.1845 9.484833 10.40437 
1 1 1  -31    5    4 o  253.131   4.6634  434.141   15.944  450.426   23.697  420.671   21.551  257.433   6.7927  248.829   6.3914 8.604294 9.326854 
1 1 1  -31    5    5 o  126.940   4.6643  109.942   7.9446  106.109   11.995  112.936   10.604  124.933   7.0853  128.947   6.0682 -4.013504 9.328643 
1 1 1  -31    5    6 o  238.075   5.0803  385.877   14.622  386.525   17.174  384.169   27.881  238.622   5.3110  237.528   8.6620 1.093704 10.16053 
1 1 1  -31    5    7 o  216.415   5.0275  321.907   13.182  326.381   15.550  310.485   24.846  219.280   5.2331  213.551   8.5858 5.728912 10.05491 
1 1 1  -31    5    8 o  303.403   5.5767  629.697   20.343  633.808   23.844  618.701   38.998  305.518   5.7592  301.289   9.5515 4.228394 11.15349 
1 1 1  -31    5    9 o  405.981   6.5054  1139.51   31.704  1159.59   37.239  1086.63   60.439  413.102   6.6520  398.861   11.182 14.24115 13.01084 
1 1 1  -31    5   10 o  281.419   5.4294  541.073   18.430  544.024   21.638  533.271   35.178  283.068   5.6408  279.771   9.2787 3.296722 10.85874 
1 1 1  -31    5   11 o  169.497   5.3071  193.417   11.953  185.955   15.326  205.003   19.097  165.417   6.8371  173.577   8.1188 -8.159805 10.61416 
1 1 1  -31    5   12 o  172.019   5.4711  204.757   12.446  220.525   16.323  182.855   19.237  180.151   6.6861  163.887   8.6618 16.26421 10.94215 
1 1 1  -31    5   13 o  373.419   6.2428  964.782   28.058  983.635   33.024  915.845   53.205  380.519   6.4042  366.319   10.718 14.20059 12.48551 
1 1 1  -31    5   14 o  371.942   6.2150  951.423   27.802  962.873   32.642  921.172   53.058  376.484   6.3981  367.400   10.657 9.083832 12.42994 
1 1 1  -31    5   15 o  486.348   7.3499  1630.43   42.771  1650.06   50.075  1577.46   82.245  492.609   7.5013  480.087   12.642 12.52261 14.69982 
1 1 1  -31    5   16 o  496.637   7.9502  1674.80   50.800  1653.79   62.507  1715.69   87.184  492.678   9.3623  500.595   12.852 -7.916870 15.90047 
1 1 1  -31    5   17 o  371.580   7.9874  939.305   40.220  939.305   40.220   0.0000   0.0000  371.580   7.9874  ?   ?       ?      ? 
1 1 1  -31    5   18 o  386.175   6.5540  1013.22   34.298  1013.22   34.298   0.0000   0.0000  386.175   6.5540  ?   ?       ?      ? 
1 1 1  -31    5   19 o  172.051   5.5938  200.970   13.042  200.970   13.042   0.0000   0.0000  172.051   5.5938  ?   ?       ?      ? 
1 1 1  -31    5   20 o  161.770   5.2391  183.949   10.465  193.593   12.638  162.917   18.664  168.868   5.5229  154.672   8.9045 14.19612 10.47821 
1 1 1  -31    5   21 o  284.407   5.5638  553.737   19.183  558.156   22.605  542.367   36.262  286.702   5.8183  282.112   9.4853 4.590210 11.12766 
1 1 1  -31    5   22 o  412.071   6.6587  1168.42   33.029  1182.17   38.797  1132.22   62.953  417.067   6.8646  407.075   11.412 9.992004 13.31746 
1 1 1  -31    5   23 o  306.460   5.0298  637.956   20.877  652.731   30.132  624.315   28.953  309.861   7.1760  303.059   7.0499 6.802216 10.05963 
1 1 1  -31    5   24 o  216.770   4.6211  319.515   13.561  312.740   19.492  325.871   18.879  214.525   6.7050  219.015   6.3610 -4.489304 9.242259 
1 1 1  -31    5   25 o  241.262   4.6990  395.671   15.353  391.472   22.041  399.630   21.400  240.004   6.7767  242.520   6.5115 -2.515701 9.398067 
1 1 1  -31    5   26 f  127.151   4.8682  109.447   8.3593  115.007   12.457  104.892   11.275  130.067   7.0674  124.237   6.6970 5.830086 9.736429 
1 1 1  -31    5   27 o  258.861   4.8101  454.670   16.856  472.035   24.534  439.146   23.197  263.527   6.8702  254.196   6.7342 9.330658 9.620210 
1 1 1  -31    5   28 o  344.354   5.3184  806.657   24.814  793.187   35.180  819.994   35.006  341.478   7.6023  347.229   7.4394 -5.751251 10.63675 
1 1 1  -31    5   29 o  422.265   7.1539  1214.26   38.925  1209.00   48.069  1224.29   66.341  421.391   8.4177  423.139   11.570 -1.748871 14.30779 
1 1 1  -31    5   30 o  377.007   7.8611  971.860   40.127  925.841   56.758  1017.85   56.740  368.002   11.381  386.013   10.847 -18.01041 15.72224 
1 1 1  -31    5   31 o  171.859   6.6264  201.863   15.342  196.301   22.791  206.473   20.747  169.626   9.9147  174.092   8.7940 -4.466461 13.25278 
1 1 1  -31    5   32 o  374.915   5.5766  956.570   28.326  958.510   40.516  954.714   39.618  375.270   7.9670  374.560   7.8052 0.7098083 11.15326 
1 1 1  -31    5   33 o  342.959   5.3786  799.637   24.983  819.067   36.074  781.727   34.634  346.947   7.6726  338.971   7.5398 7.976013 10.75724 
1 1 1  -31    5   34 o  185.218   4.7954  233.296   12.026  231.437   17.326  235.025   16.706  184.492   6.9303  185.944   6.6300 -1.452194 9.590878 
1 1 1  -31    5   35 f  189.571   4.7930  244.154   12.303  248.415   17.827  240.279   17.000  191.139   6.8824  188.003   6.6726 3.136276 9.586003 
1 1 1  -31    5   36 o  241.428   4.8964  396.380   16.017  395.470   22.853  397.259   22.454  241.146   6.9933  241.709   6.8551 -0.5622101 9.792776 
1 1 1  -31    5   37 o  333.021   6.7082  762.720   28.504  775.233   35.028  738.188   49.044  337.494   7.6589  328.547   11.016 8.946777 13.41649 
1 1 1  -31    5   38 f  339.630   5.4097  784.287   24.882  807.982   35.992  762.596   34.436  344.526   7.7090  334.733   7.5915 9.792999 10.81946 
1 1 1  -31    5   39 o  194.176   4.9603  255.565   13.023  269.640   19.224  243.628   17.704  199.088   7.1256  189.264   6.9025 9.823196 9.920630 
1 1 1  -31    5   40 o  208.363   6.2693  300.924   16.352  282.974   28.943  309.340   19.818  203.459   10.497  213.266   6.8573 -9.806198 12.53860 
1 1 1  -31    5   41 o  220.914   10.414  333.614   31.175  333.614   31.175   0.0000   0.0000  220.914   10.414  ?   ?       ?      ? 
1 1 1  -31    5   42 o  122.948   5.8703  103.812   9.6995   94.531   14.237  111.850   13.250  117.726   8.9242  128.171   7.6288 -10.44529 11.74052 
1 1 1  -31    5   43 o  392.795   5.8394  1051.57   31.076  1046.33   44.343  1056.62   43.565  391.808   8.3515  393.782   8.1638 -1.973907 11.67885 
1 1 1  -31    5   44 o  298.899   5.2752  607.189   21.342  629.784   31.122  587.132   29.322  304.121   7.5517  293.677   7.3678 10.44421 10.55050 
1 1 1  -31    5   45 o  189.551   5.1046  245.053   13.079  236.323   18.969  252.965   18.058  186.290   7.5140  192.812   6.9113 -6.521744 10.20911 
1 1 1  -31    5   46 o  353.719   5.6059  852.783   26.863  843.795   38.335  861.455   37.654  351.858   8.0397  355.579   7.8144 -3.720428 11.21171 
1 1 1  -31    5   47 o  472.421   7.9946  1527.00   47.911  1539.75   84.210  1520.90   58.259  472.896   13.141  471.947   9.1094 0.9488220 15.98924 
1 1 1  -31    5   48 o  503.495   8.3571  1760.63   53.840  1678.74   91.667  1803.75   66.524  493.295   13.713  513.694   9.5564 -20.39911 16.71415 
1 1 1  -31    5   49 o  344.571   5.5980  809.246   26.131  819.562   37.514  799.523   36.420  346.685   7.9850  342.457   7.8479 4.227875 11.19596 
1 1 1  -31    5   50 o  271.056   7.2199  503.357   26.437  501.216   38.908  505.194   36.032  270.403   10.618  271.710   9.7859 -1.307617 14.43983 
1 1 1  -31    5   51 o  280.071   6.5372  533.142   23.076  545.269   41.212  527.603   27.852  281.914   10.787  278.228   7.3871 3.685669 13.07438 
1 1 1  -31    5   52 o  302.424   5.3585  623.123   21.946  639.497   31.753  608.149   30.365  306.205   7.6521  298.643   7.5031 7.561676 10.71693 
1 1 1  -31    5   53 o  193.626   6.5578  252.419   16.018  245.398   19.271  268.114   28.813  189.679   7.4972  197.572   10.762 -7.893585 13.11566 
1 1 1  -31    5   54 o  144.657   8.0018  142.916   15.686  142.916   15.686   0.0000   0.0000  144.657   8.0018  ?   ?       ?      ? 
1 1 1  -31    5   55 o  177.214   6.0223  210.638   14.116  196.833   17.857  233.634   23.047  169.767   7.7621  184.661   9.2100 -14.89407 12.04467 
1 1 1  -31    5   56 f  223.308   5.1309  338.760   15.490  368.573   22.820  313.286   21.094  232.378   7.2466  214.237   7.2658 18.14064 10.26184 
1 1 1  -31    5   57 o  112.921   6.0461   86.650   9.2054   99.775   13.658   75.723   12.461  120.724   8.3484  105.118   8.7478 15.60547 12.09211 
1 1 1  -31    5   58 o  108.496   6.1584   81.000   9.0185   76.517   13.110   85.027   12.426  105.567   9.1641  111.425   8.2292 -5.858192 12.31670 
1 1 1  -31    5   59 o  102.237   6.3784   71.856   8.8067   71.052   12.960   72.546   12.004  101.644   9.4091  102.830   8.6142 -1.186440 12.75678 
1 1 1  -31    5   60 o  223.065   5.1892  339.899   15.671  352.307   22.779  328.749   21.593  226.903   7.4082  219.226   7.2685 7.677429 10.37846 
1 1 1  -31    5   61 o  195.393   6.7471  271.511   16.287  242.116   29.003  285.050   19.684  186.674   11.465  204.112   7.1164 -17.43762 13.49421 
1 1 1  -31    5   62 o  157.238   7.0102  165.707   13.425  183.044   25.867  159.314   15.707  162.048   11.779  152.428   7.6039 9.620621 14.02031 
1 1 1  -31    5   63 o  111.086   7.5959   88.737   10.501   77.661   18.332   94.147   12.811  105.142   12.866  117.030   8.0781 -11.88843 15.19178 
1 1 1  -31    5   64 o  201.935   5.2323  279.585   14.306  287.618   20.753  272.310   19.748  204.666   7.4827  199.203   7.3156 5.462769 10.46469 
1 1 1  -31    5   65 o  264.056   5.2933  478.487   18.926  499.688   27.429  459.221   26.147  269.620   7.5071  258.493   7.4644 11.12683 10.58652 
1 1 1  -31    5   66 o  111.001   6.0896   85.089   9.1542   88.838   13.219   81.635   12.690  113.349   8.6057  108.653   8.6183 4.695526 12.17919 
1 1 1  -31    5   67 o   96.857   6.4993   65.141   8.5219   69.204   12.181   61.247   11.927   99.862   9.0013   93.851   9.3776 6.010963 12.99854 
1 1 1  -31    5   68 o  167.539   6.7087  195.189   14.099  194.367   16.993  197.004   25.255  167.870   7.4701  167.208   11.146 0.6621094 13.41732 
1 1 1  -31    5   69 o  186.853   5.2256  240.712   13.222  228.839   18.340  253.561   19.079  182.042   7.4343  191.665   7.3457 -9.623459 10.45125 
1 1 1  -31    5   70 o  153.154   5.2565  162.220   10.909  160.533   15.459  163.893   15.396  152.338   7.4884  153.970   7.3788 -1.632019 10.51303 
1 1 1  -31    5   71 o   48.939   10.325   16.740   7.3597   11.787   9.3798   24.673   11.871   41.122   14.031   56.756   15.151 -15.63432 20.65035 
1 1 1  -31    5   72 o   83.220   7.5849   47.847   8.3557   43.056   10.547   55.923   13.693   78.055   9.9712   88.386   11.432 -10.33096 15.16973 
1 1 1  -31    5   73 o   61.783   11.448   30.935   9.8077   23.847   15.493   35.675   12.670   55.123   18.018   68.444   14.128 -13.32135 22.89635 
1 1 1  -31    5   74 o   56.277   9.7994   22.981   7.5002   15.546   9.6582   34.277   11.904   45.398   14.162   67.155   13.548 -21.75669 19.59871 
1 1 1  -31    5   75 o   43.402   10.332   13.976   7.2404   15.801   9.5934   11.559   11.036   45.558   14.098   41.245   15.108 4.313030 20.66422 
1 1 1  -31    5   76 o   53.210   11.091   22.353   8.5411   25.271   12.608   19.878   11.612   56.167   15.865   50.253   15.504 5.913876 22.18262 
1 1 1  -31    5   77 o   88.077   11.606   56.842   13.853   0.0000   0.0000   56.842   13.853  ?   ?    88.077   11.606      ?      ? 
1 1 1  -31    5   78 o   82.673   12.094   50.625   13.550   0.0000   0.0000   50.625   13.550  ?   ?    82.673   12.094      ?      ? 
1 1 1  -31    5   79 o   40.331   15.004   11.285   10.958   0.0000   0.0000   11.285   10.958  ?   ?    40.331   15.004      ?      ? 
1 1 1  -31    5   80 o   91.963   11.374   62.481   14.174   0.0000   0.0000   62.481   14.174  ?   ?    91.963   11.374      ?      ? 
1 1 1  -31    6    1 o  168.606   5.3492  194.275   11.950  197.581   15.435  189.329   18.879  170.483   6.6810  166.730   8.3558 3.752716 10.69839 
1 1 1  -31    6    2 o  258.281   5.6850  453.681   19.199  452.405   24.151  455.872   31.647  257.947   6.9090  258.615   9.0301 -0.6679382 11.37004 
1 1 1  -31    6    3 o  348.437   5.2385  824.098   24.666  848.847   36.482  803.258   33.478  353.205   7.6220  343.669   7.1884 9.536163 10.47701 
1 1 1  -31    6    4 f  151.317   4.5596  157.386   9.2080  143.542   13.925  168.144   12.275  145.290   7.0724  157.344   5.7569 -12.05368 9.119212 
1 1 1  -31    6    5 o  379.628   6.1862  989.886   28.247  999.612   33.148  964.094   53.979  383.542   6.3777  375.713   10.602 7.828766 12.37239 
1 1 1  -31    6    6 o  259.467   5.1790  456.925   16.351  455.708   19.260  460.065   30.940  259.064   5.4861  259.870   8.7859 -0.8056946 10.35810 
1 1 1  -31    6    7 o  183.457   4.7723  224.977   10.825  219.704   12.825  238.035   20.183  179.896   5.2610  187.018   7.9637 -7.121597 9.544533 
1 1 1  -31    6    8 o   93.893   5.1696   57.724   6.2030   53.663   7.4883   66.603   11.073   88.875   6.2176   98.911   8.2608 -10.03643 10.33921 
1 1 1  -31    6    9 o  209.557   5.0070  305.529   12.869  315.624   15.382  281.983   23.491  215.622   5.2642  203.493   8.5186 12.12924 10.01394 
1 1 1  -31    6   10 o  203.742   4.9312  282.554   12.356  283.042   14.673  281.364   22.909  204.188   5.3029  203.296   8.3155 0.8917389 9.862453 
1 1 1  -31    6   11 o  316.725   5.7397  699.958   22.087  723.271   26.243  643.338   40.898  326.326   5.9344  307.123   9.8266 19.20236 11.47948 
1 1 1  -31    6   12 o  329.759   5.8206  750.993   23.238  764.810   27.439  715.937   43.705  335.554   6.0342  323.965   9.9552 11.58844 11.64118 
1 1 1  -31    6   13 o  291.869   5.9449  585.994   22.811  606.509   29.224  554.007   36.492  298.658   7.2208  285.080   9.4461 13.57721 11.88983 
1 1 1  -31    6   14 o  208.224   5.5049  298.672   15.180  314.596   19.804  275.985   23.637  215.140   6.7927  201.309   8.6647 13.83112 11.00988 
1 1 1  -31    6   15 o  270.433   5.4228  508.466   17.901  523.721   21.313  471.926   32.985  277.716   5.6631  263.150   9.2496 14.56635 10.84556 
1 1 1  -31    6   16 o  263.507   5.4025  482.795   17.404  497.545   20.745  447.745   31.980  270.688   5.6555  256.327   9.2067 14.36136 10.80502 
1 1 1  -31    6   17 o  202.538   5.1391  285.314   12.826  294.936   15.383  263.375   23.228  208.425   5.4465  196.650   8.7165 11.77547 10.27823 
1 1 1  -31    6   18 o  300.421   5.5912  612.488   20.365  610.463   23.931  617.804   38.776  299.807   5.8903  301.036   9.5053 -1.229279 11.18242 
1 1 1  -31    6   19 o  337.568   5.9194  768.784   24.022  760.720   28.037  791.046   46.586  334.634   6.1828  340.502   10.096 -5.867767 11.83885 
1 1 1  -31    6   20 o  325.713   6.1037  720.658   26.941  720.658   26.941   0.0000   0.0000  325.713   6.1037  ?   ?       ?      ? 
1 1 1  -31    6   21 o  199.441   5.1356  270.110   12.659  269.562   15.072  271.423   23.325  199.245   5.5823  199.637   8.6217 -0.3912811 10.27111 
1 1 1  -31    6   22 o  210.525   7.0723  301.342   20.177  301.342   20.177   0.0000   0.0000  210.525   7.0723  ?   ?       ?      ? 
1 1 1  -31    6   23 o   96.385   7.9487   63.223   10.382   63.223   10.382   0.0000   0.0000   96.385   7.9487  ?   ?       ?      ? 
1 1 1  -31    6   24 o  183.277   5.4250  228.321   13.052  227.677   16.513  229.394   21.307  183.025   6.6577  183.528   8.5673 -0.5031586 10.85002 
1 1 1  -31    6   25 o  262.617   5.7607  471.511   19.729  477.096   24.822  461.930   32.511  264.909   6.9145  260.325   9.2158 4.583649 11.52132 
1 1 1  -31    6   26 o  388.714   8.0492  1028.51   42.400  1028.51   42.400   0.0000   0.0000  388.714   8.0492  ?   ?       ?      ? 
1 1 1  -31    6   27 o  144.296   4.8152  141.977   9.3720  136.453   13.777  146.734   12.786  141.650   7.1774  146.943   6.4211 -5.293137 9.630394 
1 1 1  -31    6   28 o  355.836   5.4235  861.322   26.143  870.748   37.572  852.475   36.399  357.707   7.7509  353.965   7.5884 3.741547 10.84709 
1 1 1  -31    6   29 o  253.174   4.8740  436.153   16.708  418.853   23.750  453.103   23.509  248.178   7.0620  258.170   6.7196 -9.992065 9.748067 
1 1 1  -31    6   30 o  158.843   4.8474  171.763   10.415  167.595   15.091  175.553   14.391  156.981   7.0940  160.704   6.6080 -3.723251 9.694811 
1 1 1  -31    6   31 o  262.839   6.1247  479.733   20.393  444.582   35.165  497.544   25.031  255.168   10.170  270.510   6.8284 -15.34218 12.24943 
1 1 1  -31    6   32 o  209.708   4.7843  299.450   13.575  283.573   19.346  314.850   19.053  204.199   6.9912  215.216   6.5330 -11.01669 9.568558 
1 1 1  -31    6   33 o  232.089   4.8711  366.243   15.302  367.512   22.207  365.096   21.115  232.452   7.0497  231.727   6.7241 0.7253876 9.742237 
1 1 1  -31    6   34 o  347.572   5.4467  822.071   25.642  829.941   36.910  814.730   35.649  349.158   7.8008  345.985   7.6035 3.173767 10.89340 
1 1 1  -31    6   35 o  114.650   5.5919   89.647   8.6324   88.183   12.903   90.833   11.614  113.768   8.3695  115.533   7.4183 -1.765137 11.18390 
1 1 1  -31    6   36 o  205.275   5.9942  282.509   15.475  299.603   27.997  274.990   18.569  209.466   9.8632  201.084   6.8145 8.382278 11.98831 
1 1 1  -31    6   37 o  290.056   7.5465  573.731   29.620  536.777   40.731  615.209   43.152  280.156   10.729  299.956   10.616 -19.79929 15.09301 
1 1 1  -31    6   38 o  351.695   5.5831  842.374   26.603  843.087   38.044  841.692   37.213  351.822   7.9795  351.569   7.8110 0.2529602 11.16623 
1 1 1  -31    6   39 o  148.021   5.2880  149.450   10.563  145.586   15.551  152.760   14.394  146.206   7.8488  149.836   7.0887 -3.629898 10.57608 
1 1 1  -31    6   40 o  152.811   5.1165  157.915   10.559  171.573   15.748  146.762   14.231  158.767   7.3195  146.854   7.1512 11.91241 10.23298 
1 1 1  -31    6   41 o   87.763   6.6313   53.634   7.7250   45.210   11.526   60.505   10.409   81.300   10.461   94.226   8.1519 -12.92624 13.26254 
1 1 1  -31    6   42 o  130.765   5.5250  118.612   9.5941   94.305   13.860  140.976   13.294  117.582   8.6981  143.948   6.8152 -26.36573 11.05003 
1 1 1  -31    6   43 o  151.515   5.1955  156.421   10.632  154.881   15.649  157.741   14.489  150.790   7.6584  152.240   7.0229 -1.449753 10.39094 
1 1 1  -31    6   44 o  105.027   6.1042   75.014   8.6496   77.744   12.944   72.811   11.627  106.721   8.9504  103.333   8.3029 3.388008 12.20846 
1 1 1  -31    6   45 o  199.517   9.2607  271.924   25.038   0.0000   0.0000  271.924   25.038  ?   ?   199.517   9.2607      ?      ? 
1 1 1  -31    6   46 o  264.696   6.5252  488.001   21.822  452.146   37.802  505.919   26.724  256.839   10.861  272.553   7.2354 -15.71350 13.05048 
1 1 1  -31    6   47 o  249.055   6.3544  424.588   19.851  421.435   35.504  426.022   23.943  247.994   10.565  250.116   7.0640 -2.122131 12.70871 
1 1 1  -31    6   48 o  192.345   6.2456  249.683   15.095  260.904   27.252  244.717   18.131  195.142   10.305  189.548   7.0587 5.593658 12.49110 
1 1 1  -31    6   49 o  294.749   5.2902  591.401   21.111  611.942   30.664  572.891   29.109  299.590   7.5529  289.907   7.4095 9.683044 10.58050 
1 1 1  -31    6   50 o   78.395   7.6080   42.834   7.9495   37.320   11.850   47.346   10.720   73.626   11.877   83.164   9.5118 -9.538506 15.21607 
1 1 1  -31    6   51 o  237.046   5.1657  383.331   16.586  372.840   23.574  393.614   23.340  233.805   7.4405  240.287   7.1678 -6.482117 10.33145 
1 1 1  -31    6   52 o  116.172   6.7045   90.614   10.428   80.922   13.528  104.808   16.371  108.711   9.1826  123.633   9.7714 -14.92242 13.40897 
1 1 1  -31    6   53 o  190.022   6.8605  248.987   16.191  250.972   19.405  244.439   29.371  191.751   7.4679  188.292   11.511 3.459290 13.72100 
1 1 1  -31    6   54 o  339.078   6.8892  776.773   29.621  754.450   35.797  825.247   52.750  332.218   7.9514  345.937   11.252 -13.71863 13.77832 
1 1 1  -31    6   55 o  145.479   5.4710  144.676   10.767  144.707   15.698  144.649   14.795  145.456   7.9642  145.503   7.5034 -0.4757690E-01 10.94209 
1 1 1  -31    6   56 o  179.893   5.2009  221.003   12.657  223.463   18.495  218.837   17.357  180.793   7.5492  178.993   7.1559 1.800018 10.40182 
1 1 1  -31    6   57 o  141.374   5.6211  137.318   10.726  130.261   15.622  143.611   14.752  137.847   8.3632  144.900   7.5130 -7.053894 11.24220 
1 1 1  -31    6   58 o  164.555   5.3550  185.585   11.925  179.514   17.134  191.287   16.607  161.889   7.8102  167.221   7.3283 -5.332291 10.70995 
1 1 1  -31    6   59 o  372.400   7.2788  970.005   34.389  924.940   59.485  992.628   42.146  364.465   12.044  380.335   8.1773 -15.86932 14.55769 
1 1 1  -31    6   60 o  276.589   6.6944  518.538   23.070  551.671   42.418  504.620   27.492  281.819   11.107  271.360   7.4762 10.45923 13.38880 
1 1 1  -31    6   61 o  164.421   5.4001  185.934   12.000  171.910   17.079  199.604   16.862  158.194   7.9671  170.649   7.2917 -12.45583 10.80021 
1 1 1  -31    6   62 o  225.854   6.3168  351.736   18.140  353.009   31.680  351.114   22.126  225.440   10.370  226.268   7.2162 -0.8279724 12.63360 
1 1 1  -31    6   63 o  102.005   7.5334   72.371   9.7572   72.878   17.081   72.125   11.888  101.774   12.385  102.235   8.5805 -0.4611893 15.06676 
1 1 1  -31    6   64 o  100.013   6.3558   68.779   8.5849   76.051   12.759   62.763   11.605  104.812   8.9827   95.214   8.9942 9.597961 12.71157 
1 1 1  -31    6   65 o  191.514   5.1907  252.574   13.458  247.410   19.347  257.413   18.731  189.539   7.5326  193.489   7.1438 -3.950607 10.38142 
1 1 1  -31    6   66 o   99.012   6.4171   68.408   8.5670   64.345   12.505   72.001   11.760   96.081   9.6045  101.942   8.5128 -5.861198 12.83415 
1 1 1  -31    6   67 o   79.698   7.1538   44.516   7.7098   44.428   11.264   44.595   10.575   79.535   10.451   79.862   9.7719 -0.3262100 14.30753 
1 1 1  -31    6   68 o  115.980   7.2979   89.885   10.801   81.372   12.984  109.022   19.466  108.071   8.8655  123.889   11.595 -15.81801 14.59572 
1 1 1  -31    6   69 o  121.207   5.6497  102.042   9.2738   98.005   13.125  106.068   13.106  118.751   8.1559  123.664   7.8204 -4.913544 11.29942 
1 1 1  -31    6   70 o  106.581   6.7827   77.225   9.5217   69.241   11.905   91.401   15.863   99.492   8.8298  113.670   10.298 -14.17776 13.56533 
1 1 1  -31    6   71 o   87.906   7.3996   51.989   8.5705   42.189   10.721   69.344   14.266   77.120   10.258   98.692   10.667 -21.57239 14.79921 
1 1 1  -31    6   72 o  126.348   6.4181  112.479   10.549  112.643   13.218  112.194   17.509  127.159   7.6706  125.537   10.292 1.621750 12.83618 
1 1 1  -31    6   73 o  124.586   6.5480  109.175   10.663  107.436   13.388  112.193   17.635  123.916   7.9726  125.256   10.389 -1.340019 13.09593 
1 1 1  -31    6   74 o  108.078   6.6404   80.012   9.4545   71.139   11.817   95.792   15.760  100.412   8.6845  115.744   10.048 -15.33183 13.28075 
1 1 1  -31    6   75 o   50.633   10.015   18.916   7.1649   13.581   9.2102   27.094   11.403   42.540   13.892   58.726   14.431 -16.18628 20.03093 
1 1 1  -31    6   76 o   57.499   14.804   26.304   11.604   0.0000   0.0000   26.304   11.604  ?   ?    57.499   14.804      ?      ? 
1 1 1  -31    6   77 o   30.383   13.140   0.9152   9.9288   0.0000   0.0000   0.9152   9.9288  ?   ?    30.383   13.140      ?      ? 
1 1 1  -31    6   78 o  101.670   10.855   75.620   14.955   0.0000   0.0000   75.620   14.955  ?   ?   101.670   10.855      ?      ? 
1 1 1  -31    6   79 o   73.170   13.691   41.916   13.076   0.0000   0.0000   41.916   13.076  ?   ?    73.170   13.691      ?      ? 
1 1 1  -31    7    1 o  347.287   5.2324  820.752   24.539  820.784   36.248  820.726   33.340  347.230   7.7034  347.344   7.0831 -0.1136169 10.46480 
1 1 1  -31    7    2 f  492.964   6.4323  1656.69   42.915  1668.76   62.391  1645.84   59.122  494.593   9.3087  491.335   8.8796 3.258514 12.86463 
1 1 1  -31    7    3 o  464.281   6.1875  1469.31   38.884  1467.83   56.346  1470.65   53.728  463.991   8.9613  464.571   8.5343 -0.5797729 12.37497 
1 1 1  -31    7    4 o  186.446   5.1842  236.025   13.098  236.025   13.098   0.0000   0.0000  186.446   5.1842  ?   ?       ?      ? 
1 1 1  -31    7    5 o  136.001   5.2958  125.593   9.7601  125.593   9.7601   0.0000   0.0000  136.001   5.2958  ?   ?       ?      ? 
1 1 1  -31    7    6 o  155.480   4.6938  164.793   9.1436  165.533   11.018  163.158   16.387  156.142   5.2073  154.819   7.8108 1.322769 9.387508 
1 1 1  -31    7    7 o  203.993   4.9419  290.117   12.421  300.961   14.913  265.553   22.445  210.538   5.2269  197.447   8.3887 13.09177 9.883816 
1 1 1  -31    7    8 o  207.678   4.9107  295.308   12.590  298.248   15.023  288.371   23.075  209.584   5.2896  205.773   8.2752 3.811081 9.821306 
1 1 1  -31    7    9 o   85.461   5.3620   47.673   5.9703   42.893   7.3407   57.012   10.261   79.427   6.8200   91.496   8.2759 -12.06905 10.72399 
1 1 1  -31    7   10 o  285.777   5.4241  561.885   18.934  570.171   22.460  541.531   35.202  289.734   5.7205  281.819   9.2174 7.914764 10.84826 
1 1 1  -31    7   11 o  328.577   6.0778  733.568   25.872  728.908   32.133  742.159   43.627  327.355   7.2434  329.798   9.7617 -2.442627 12.15559 
1 1 1  -31    7   12 o  295.982   5.8388  599.020   22.488  605.534   28.205  587.653   37.258  298.412   6.9747  293.552   9.3659 4.859558 11.67760 
1 1 1  -31    7   13 o  235.083   5.4554  379.718   16.780  390.767   21.307  361.677   27.226  239.771   6.5576  230.395   8.7204 9.376205 10.91084 
1 1 1  -31    7   14 o  219.923   6.3868  328.865   18.891  336.146   28.663  323.274   25.118  221.996   9.5277  217.850   8.5083 4.145691 12.77369 
1 1 1  -31    7   15 o  336.665   7.3116  773.536   33.258  779.962   49.053  768.070   45.245  337.862   10.714  335.468   9.9526 2.393433 14.62330 
1 1 1  -31    7   16 o  332.559   6.1512  747.647   26.494  733.940   32.800  773.384   44.944  328.466   7.3688  336.651   9.8515 -8.185394 12.30250 
1 1 1  -31    7   17 o  215.477   5.3888  315.500   15.249  314.172   19.297  317.710   24.883  214.985   6.6236  215.968   8.5021 -0.9826508 10.77766 
1 1 1  -31    7   18 o  244.158   5.1984  401.829   15.648  396.721   18.549  414.435   29.140  241.688   5.6633  246.628   8.7190 -4.939743 10.39687 
1 1 1  -31    7   19 o  303.150   5.5957  620.657   20.639  614.509   24.268  636.727   39.235  300.761   5.9543  305.540   9.4761 -4.779297 11.19148 
1 1 1  -31    7   20 o  339.255   6.2074  782.060   28.538  782.060   28.538   0.0000   0.0000  339.255   6.2074  ?   ?       ?      ? 
1 1 1  -31    7   21 o  298.741   5.9537  606.295   24.103  606.295   24.103   0.0000   0.0000  298.741   5.9537  ?   ?       ?      ? 
1 1 1  -31    7   22 o   91.641   5.9822   57.840   7.0684   59.355   8.8047   55.092   11.855   93.427   6.9544   89.855   9.7356 3.572105 11.96434 
1 1 1  -31    7   23 o  216.293   5.2596  327.597   14.111  342.908   17.070  294.561   25.075  224.699   5.6061  207.886   8.9008 16.81299 10.51914 
1 1 1  -31    7   24 o  200.510   5.2067  277.625   13.017  284.346   15.708  262.894   23.256  204.608   5.6651  196.412   8.7375 8.196243 10.41335 
1 1 1  -31    7   25 o  164.843   5.0511  178.002   10.558  166.573   12.663  204.059   19.121  156.581   5.9677  173.105   8.1511 -16.52338 10.10216 
1 1 1  -31    7   26 f  141.415   5.3489  136.427   9.5887  137.046   11.672  135.143   16.816  142.019   6.0650  140.810   8.8124 1.208679 10.69779 
1 1 1  -31    7   27 o  188.784   6.6735  245.586   16.887  209.663   24.317  279.049   23.470  175.201   10.242  202.368   8.5583 -27.16708 13.34698 
1 1 1  -31    7   28 o  477.146   9.2359  1563.03   59.718  1547.97   84.213  1578.26   84.697  474.821   13.088  479.470   13.035 -4.648529 18.47184 
1 1 1  -31    7   29 o  496.238   6.5912  1679.86   44.317  1682.85   63.233  1676.98   62.130  496.645   9.3954  495.832   9.2466 0.8128052 13.18231 
1 1 1  -31    7   30 o  356.101   6.7767  878.028   30.746  827.594   52.670  904.096   37.867  347.768   11.176  364.435   7.6676 -16.66675 13.55341 
1 1 1  -31    7   31 o  342.519   7.5370  798.538   34.984   0.0000   0.0000  798.538   34.984  ?   ?   342.519   7.5370      ?      ? 
1 1 1  -31    7   32 o  230.421   6.3652  369.533   18.132  343.619   32.704  381.035   21.788  224.145   10.767  236.698   6.7926 -12.55313 12.73038 
1 1 1  -31    7   33 o  315.656   6.4303  656.850   25.411  739.362   46.958  622.681   30.218  328.837   10.538  302.475   7.3722 26.36218 12.86054 
1 1 1  -31    7   34 o  226.330   4.9915  349.337   15.269  323.308   21.740  374.675   21.450  217.949   7.3608  234.710   6.7439 -16.76044 9.983017 
1 1 1  -31    7   35 o  243.266   4.9736  403.415   16.364  383.880   23.484  421.852   22.815  237.492   7.2969  249.040   6.7602 -11.54776 9.947118 
1 1 1  -31    7   36 o   92.073   6.2496   58.047   7.7237   56.081   11.645   59.591   10.320   90.630   9.4820   93.517   8.1437 -2.886955 12.49912 
1 1 1  -31    7   37 o  120.616   6.9816   97.762   10.785   94.527   13.145  104.423   18.864  117.768   8.2368  123.464   11.275 -5.695816 13.96318 
1 1 1  -31    7   38 o  156.317   6.3662  159.009   12.739  144.804   15.362  190.285   22.795  145.800   7.7753  166.835   10.083 -21.03447 12.73248 
1 1 1  -31    7   39 o  278.872   5.1116  528.876   19.295  540.084   28.086  518.859   26.552  281.644   7.3589  276.101   7.0966 5.543030 10.22328 
1 1 1  -31    7   40 o  224.370   5.8481  345.466   17.305  353.384   22.209  333.230   27.609  227.834   7.1934  220.906   9.2227 6.927917 11.69627 
1 1 1  -31    7   41 o  165.985   6.9004  189.090   15.388  182.156   23.090  194.630   20.638  163.129   10.445  168.840   9.0202 -5.710892 13.80082 
1 1 1  -31    7   42 o  218.759   5.0195  325.192   14.845  334.684   21.879  317.093   20.209  221.684   7.2830  215.835   6.9094 5.849594 10.03905 
1 1 1  -31    7   43 o  216.162   5.0116  317.902   14.653  322.491   21.449  313.885   20.065  217.595   7.2741  214.728   6.8957 2.866272 10.02312 
1 1 1  -31    7   44 o  270.621   5.1469  498.227   18.853  512.086   27.474  485.893   25.917  274.149   7.3952  267.092   7.1605 7.056885 10.29378 
1 1 1  -31    7   45 o  306.211   5.3310  639.393   22.110  629.115   31.623  649.222   30.925  303.768   7.6821  308.655   7.3936 -4.886566 10.66207 
1 1 1  -31    7   46 o  248.400   5.1202  419.622   17.209  435.123   25.197  406.070   23.559  252.668   7.3590  244.132   7.1211 8.535278 10.24042 
1 1 1  -31    7   47 o  254.823   6.3292  451.288   20.428  422.782   35.326  465.608   25.039  248.246   10.501  261.401   7.0684 -13.15463 12.65841 
1 1 1  -31    7   48 o  157.431   6.1602  168.219   12.940  162.761   16.766  176.259   20.350  154.403   8.0131  160.458   9.3586 -6.055008 12.32043 
1 1 1  -31    7   49 o  132.816   6.3240  119.784   11.206  115.682   14.510  125.845   17.638  130.121   8.2291  135.512   9.6048 -5.391479 12.64791 
1 1 1  -31    7   50 o  133.180   6.4590  121.681   11.472  122.637   14.987  120.327   17.827  133.944   8.2569  132.417   9.9347 1.527206 12.91796 
1 1 1  -31    7   51 o  186.482   5.1761  238.180   13.034  222.302   18.797  252.884   18.089  180.405   7.6886  192.559   6.9321 -12.15366 10.35226 
1 1 1  -31    7   52 o  139.836   5.5479  134.338   10.451  125.774   15.319  141.795   14.295  135.566   8.3387  144.106   7.3202 -8.539581 11.09587 
1 1 1  -31    7   53 o  178.849   6.7030  225.069   15.117  235.522   18.541  204.344   26.107  185.673   7.3688  172.025   11.199 13.64815 13.40608 
1 1 1  -31    7   54 f  139.945   5.5085  134.507   10.403  126.324   15.105  141.892   14.350  135.806   8.2074  144.084   7.3493 -8.278671 11.01697 
1 1 1  -31    7   55 o  129.802   5.7093  115.843   10.005  108.767   14.488  122.294   13.832  125.924   8.4901  133.681   7.6357 -7.756516 11.41864 
1 1 1  -31    7   56 o  258.838   5.2786  457.822   18.479  469.719   27.128  447.524   25.240  261.907   7.6435  255.769   7.2822 6.138550 10.55710 
1 1 1  -31    7   57 o  252.102   6.5831  442.461   20.733  425.571   37.000  450.192   25.033  247.723   11.022  256.481   7.2022 -8.757355 13.16620 
1 1 1  -31    7   58 o  199.675   5.2564  272.597   14.171  280.272   21.083  266.271   19.139  202.153   7.6959  197.198   7.1619 4.954666 10.51287 
1 1 1  -31    7   59 o  179.901   5.1995  221.991   12.633  220.726   18.614  223.071   17.202  179.337   7.6591  180.466   7.0340 -1.129837 10.39897 
1 1 1  -31    7   60 o  134.053   5.5703  123.711   10.084  121.175   14.798  125.909   13.779  132.680   8.2302  135.425   7.5083 -2.744659 11.14055 
1 1 1  -31    7   61 o  188.500   5.1441  244.314   13.118  235.679   18.887  252.362   18.233  185.191   7.5260  191.810   7.0146 -6.618973 10.28814 
1 1 1  -31    7   62 o  168.772   6.3734  199.433   13.593  190.791   23.705  203.666   16.591  165.337   10.580  172.208   7.1095 -6.871643 12.74683 
1 1 1  -31    7   63 o  123.973   5.7041  105.683   9.5422  110.342   14.281  101.925   12.825  126.353   8.3406  121.593   7.7835 4.760468 11.40826 
1 1 1  -31    7   64 o   48.301   9.7660   17.366   6.8673   12.707   10.210   21.214   9.2801   43.028   14.639   53.575   12.930 -10.54705 19.53202 
1 1 1  -31    7   65 f   88.419   6.8111   55.015   8.0869   50.405   11.925   58.940   11.003   84.750   10.383   92.089   8.8173 -7.338737 13.62212 
1 1 1  -31    7   66 o   92.937   6.4446   60.232   8.1125   60.824   11.678   59.679   11.278   93.344   9.2318   92.530   8.9946 0.8133163 12.88914 
1 1 1  -31    7   67 o   62.759   10.726   27.203   8.5497   21.690   10.253   39.789   15.491   53.634   13.968   71.884   16.280 -18.25054 21.45136 
1 1 1  -31    7   68 o   88.816   9.5366   55.432   11.478   55.432   11.478   0.0000   0.0000   88.816   9.5366  ?   ?       ?      ? 
1 1 1  -31    7   69 o   79.468   8.0626   43.509   8.4989   37.028   10.758   54.268   13.862   72.036   11.021   86.899   11.771 -14.86318 16.12517 
1 1 1  -31    7   70 o  128.264   6.5285  115.637   11.012  114.732   13.975  117.118   17.886  128.197   8.0443  128.331   10.285 -0.1329956 13.05695 
1 1 1  -31    7   71 o  164.934   6.2622  193.807   13.500  201.030   17.197  182.206   21.794  169.887   7.4699  159.981   10.053 9.905991 12.52434 
1 1 1  -31    7   72 o   98.516   7.1290   66.962   9.2818   59.211   11.665   80.338   15.324   91.334   9.4247  105.697   10.699 -14.36340 14.25795 
1 1 1  -31    7   73 o   44.485   10.257   15.209   7.2631   18.240   9.2957   10.460   11.638   48.571   13.589   40.399   15.368 8.171093 20.51422 
1 1 1  -31    7   74 o   49.019   11.538   17.915   9.1123   25.722   13.892   12.019   12.072   56.072   16.891   41.967   15.721 14.10487 23.07505 
1 1 1  -31    7   75 o  112.046   10.707   91.231   16.258   0.0000   0.0000   91.231   16.258  ?   ?   112.046   10.707      ?      ? 
1 1 1  -31    7   76 o   80.573   11.922   48.128   13.017   0.0000   0.0000   48.128   13.017  ?   ?    80.573   11.922      ?      ? 
1 1 1  -31    7   77 o   30.303   13.111   1.0296   9.8952   0.0000   0.0000   1.0296   9.8952  ?   ?    30.303   13.111      ?      ? 
1 1 1  -31    7   78 o   30.928   13.436   1.0138   10.475   0.0000   0.0000   1.0138   10.475  ?   ?    30.928   13.436      ?      ? 
1 1 1  -31    7   79 o   49.698   15.440   20.257   11.494   0.0000   0.0000   20.257   11.494  ?   ?    49.698   15.440      ?      ? 
1 1 1  -31    8    1 f  104.032   5.4801   73.600   7.7169   75.883   11.242   71.566   10.612  105.548   7.8595  102.517   7.6390 3.031036 10.96020 
1 1 1  -31    8    2 o  268.288   4.7275  488.683   17.043  496.140   25.926  483.008   22.616  270.025   7.0850  266.551   6.2610 3.473938 9.455057 
1 1 1  -31    8    3 o  349.228   5.8828  844.059   25.067  861.648   29.765  801.157   46.488  356.037   6.1692  342.419   10.018 13.61774 11.76551 
1 1 1  -31    8    4 o  299.198   5.3397  591.398   19.389  570.142   22.628  650.125   37.611  289.677   5.7643  308.719   8.9901 -19.04199 10.67938 
1 1 1  -31    8    5 o  151.803   4.6875  157.003   9.0737  157.590   11.105  155.824   15.740  152.324   5.3796  151.281   7.6779 1.043457 9.374946 
1 1 1  -31    8    6 o  263.473   5.5926  471.563   19.968  471.563   19.968   0.0000   0.0000  263.473   5.5926  ?   ?       ?      ? 
1 1 1  -31    8    7 o  352.165   6.0195  871.839   25.927  910.727   31.041  782.120   47.149  366.037   6.2579  338.294   10.285 27.74319 12.03908 
1 1 1  -31    8    8 o  269.069   5.2658  492.328   17.431  491.738   20.692  493.772   32.351  269.044   5.6754  269.094   8.8714 -0.4995728E-01 10.53151 
1 1 1  -31    8    9 o  193.861   4.8852  254.985   11.850  253.957   14.234  257.304   21.389  193.369   5.4320  194.354   8.1211 -0.9848938 9.770306 
1 1 1  -31    8   10 o  120.262   5.1235   98.852   7.8895   99.780   9.7096   97.048   13.535  121.181   5.9127  119.343   8.3690 1.837914 10.24696 
1 1 1  -31    8   11 f  127.514   4.9838  107.732   8.1813  101.880   9.9822  119.707   14.279  122.444   6.0159  132.583   7.9475 -10.13876 9.967657 
1 1 1  -31    8   12 o  240.035   5.1965  398.210   15.410  407.473   18.465  376.949   27.973  244.927   5.5632  235.143   8.7786 9.784271 10.39291 
1 1 1  -31    8   13 o  282.747   5.4096  541.237   18.732  537.294   22.133  551.191   35.164  281.220   5.8079  284.274   9.1280 -3.053558 10.81910 
1 1 1  -31    8   14 o  262.949   5.3136  470.245   17.184  469.766   20.394  471.417   31.906  262.965   5.7231  262.932   8.9546 0.3317261E-01 10.62729 
1 1 1  -31    8   15 o  278.134   5.8331  522.921   21.401  509.758   27.147  544.535   34.786  273.704   7.3191  282.563   9.0847 -8.858398 11.66621 
1 1 1  -31    8   16 o  272.444   5.7901  500.442   20.813  483.857   26.364  527.874   33.906  266.664   7.2956  278.224   8.9930 -11.56052 11.58012 
1 1 1  -31    8   17 o  261.479   5.2995  463.047   17.047  459.906   20.206  470.804   31.749  260.190   5.7308  262.768   8.9160 -2.578247 10.59893 
1 1 1  -31    8   18 o  284.983   5.4976  555.486   19.256  559.046   22.887  546.859   35.627  286.845   5.8878  283.122   9.2859 3.723724 10.99518 
1 1 1  -31    8   19 o  247.927   5.2519  416.790   16.135  414.549   19.232  422.118   29.651  247.024   5.7451  248.830   8.7934 -1.805679 10.50383 
1 1 1  -31    8   20 o  121.494   5.4297  101.982   8.4696  105.414   10.523   95.671   14.272  124.537   6.2353  118.452   8.8909 6.084618 10.85942 
1 1 1  -31    8   21 o  121.395   6.4427  100.186   10.599  100.186   10.599   0.0000   0.0000  121.395   6.4427  ?   ?       ?      ? 
1 1 1  -31    8   22 o  203.697   5.2135  271.575   13.275  255.814   15.747  310.291   24.680  194.025   5.9890  213.370   8.5355 -19.34528 10.42702 
1 1 1  -31    8   23 o  262.264   5.8188  464.886   20.169  452.320   25.658  485.209   32.630  257.809   7.3441  266.720   9.0278 -8.911316 11.63769 
1 1 1  -31    8   24 o  362.891   6.6450  908.467   31.659  940.940   40.489  857.381   50.784  371.674   8.0389  354.107   10.583 17.56689 13.29005 
1 1 1  -31    8   25 o  265.645   5.9397  486.447   20.894  509.963   27.212  452.672   32.611  273.738   7.3357  257.551   9.3437 16.18689 11.87932 
1 1 1  -31    8   26 o  162.685   5.7697  180.770   12.622  184.236   16.931  176.433   18.938  164.504   7.5948  160.865   8.6876 3.638931 11.53930 
1 1 1  -31    8   27 f  300.737   5.7444  615.514   21.278  614.579   25.278  617.789   39.415  300.688   6.2035  300.786   9.6699 -0.9741211E-01 11.48870 
1 1 1  -31    8   28 o  357.385   6.1411  855.400   26.549  837.097   31.024  905.471   51.314  350.861   6.5251  363.909   10.405 -13.04782 12.28210 
1 1 1  -31    8   29 o  274.395   5.5338  505.701   18.721  495.970   22.160  529.960   34.988  270.133   6.0534  278.657   9.2655 -8.523773 11.06766 
1 1 1  -31    8   30 o  102.745   5.8368   73.282   7.9743   61.686   11.817   82.979   10.806   95.073   9.1718  110.418   7.2216 -15.34545 11.67367 
1 1 1  -31    8   31 o  214.202   6.0044  307.953   15.916  324.805   29.597  301.097   18.879  217.999   10.019  210.404   6.6212 7.595642 12.00889 
1 1 1  -31    8   32 o  111.532   5.7433   85.651   8.5258   79.592   13.094   90.109   11.233  108.004   8.9465  115.060   7.2044 -7.055573 11.48665 
1 1 1  -31    8   33 o  217.748   6.1438  328.932   16.678  309.052   29.727  338.065   20.148  212.566   10.320  222.929   6.6695 -10.36305 12.28752 
1 1 1  -31    8   34 o  201.698   6.2402  277.889   16.234  278.587   20.104  276.580   27.521  202.280   7.3340  201.116   10.098 1.164429 12.48035 
1 1 1  -31    8   35 o  193.337   5.8275  250.371   14.823  237.218   18.619  273.132   24.494  186.647   7.3613  200.028   9.0361 -13.38057 11.65505 
1 1 1  -31    8   36 o  239.829   6.8629  393.392   22.201  390.580   32.960  395.728   30.036  238.940   10.179  240.719   9.2077 -1.779221 13.72578 
1 1 1  -31    8   37 o  253.150   7.2807  438.554   24.974  435.192   35.026  442.031   35.619  252.175   10.250  254.126   10.343 -1.950531 14.56149 
1 1 1  -31    8   38 o  226.720   4.9900  350.748   15.291  323.960   21.739  376.979   21.512  218.086   7.3558  235.355   6.7448 -17.26836 9.980010 
1 1 1  -31    8   39 o  159.615   5.0969  174.017   10.985  166.281   16.006  180.903   15.103  156.211   7.5614  163.019   6.8367 -6.807831 10.19383 
1 1 1  -31    8   40 f  248.856   5.0432  422.437   16.981  400.915   24.233  443.200   23.801  242.575   7.3719  255.137   6.8841 -12.56195 10.08644 
1 1 1  -31    8   41 f  180.053   5.0523  221.553   12.283  209.874   17.839  232.079   16.937  175.477   7.5019  184.628   6.7693 -9.150558 10.10457 
1 1 1  -31    8   42 o  107.992   5.9360   79.760   8.6360   78.305   12.865   80.953   11.651  107.047   8.8688  108.938   7.8923 -1.890900 11.87202 
1 1 1  -31    8   43 o   76.208   7.8210   41.757   7.5908   32.748   11.408   48.914   10.168   67.823   12.884   84.593   8.8701 -16.76933 15.64190 
1 1 1  -31    8   44 o  185.557   5.0542  233.613   12.675  249.294   18.787  220.512   17.172  191.231   7.2495  179.884   7.0443 11.34695 10.10830 
1 1 1  -31    8   45 o  214.296   5.9417  316.549   16.792  326.548   21.606  301.296   26.685  218.832   7.2859  209.760   9.3878 9.071976 11.88344 
1 1 1  -31    8   46 o  162.905   6.1706  183.947   13.323  194.942   17.449  168.579   20.630  169.004   7.6190  156.807   9.7085 12.19685 12.34112 
1 1 1  -31    8   47 o  188.978   6.2454  241.865   14.789  251.311   26.794  237.727   17.734  191.248   10.339  186.708   7.0092 4.539276 12.49071 
1 1 1  -31    8   48 o  136.441   5.6888  129.790   10.294  103.176   14.945  153.812   14.199  122.717   8.9868  150.164   6.9775 -27.44615 11.37754 
1 1 1  -31    8   49 o  207.735   5.1096  295.723   14.328  271.806   20.557  318.317   19.980  199.452   7.6056  216.018   6.8253 -16.56660 10.21912 
1 1 1  -31    8   50 o  191.251   5.1305  249.917   13.273  248.254   19.326  251.402   18.260  190.600   7.4824  191.902   7.0215 -1.301544 10.26099 
1 1 1  -31    8   51 o  119.034   5.9319   97.662   9.5020   90.889   13.973  103.489   12.960  115.078   8.9601  122.990   7.7759 -7.911713 11.86373 
1 1 1  -31    8   52 o  187.854   6.4930  242.866   15.588  243.556   19.124  241.500   26.904  188.699   7.4788  187.010   10.616 1.689606 12.98607 
1 1 1  -31    8   53 o  147.536   6.8642  145.829   13.133  136.457   16.139  164.199   22.595  141.012   8.4458  154.060   10.823 -13.04739 13.72837 
1 1 1  -31    8   54 o   97.621   9.4344   74.388   10.126   54.126   19.131   82.273   11.935   85.720   17.069  109.521   8.0413 -23.80174 18.86872 
1 1 1  -31    8   55 o  119.222   7.5719   95.806   10.903  104.670   21.232   92.632   12.707  122.281   12.813  116.163   8.0721 6.118134 15.14380 
1 1 1  -31    8   56 o  174.850   5.3092  210.645   12.517  195.168   18.168  224.627   17.268  168.580   7.9530  181.119   7.0357 -12.53925 10.61839 
1 1 1  -31    8   57 o  260.122   5.2395  465.103   18.421  428.735   26.133  501.025   25.971  249.858   7.7180  270.386   7.0881 -20.52782 10.47896 
1 1 1  -31    8   58 o  100.428   6.4655   71.304   8.5843   56.383   12.557   84.397   11.762   90.073   10.287  110.784   7.8349 -20.71112 12.93100 
1 1 1  -31    8   59 o  191.974   5.1764  253.206   13.440  252.559   19.612  253.779   18.455  191.659   7.5511  192.289   7.0825 -0.6302032 10.35282 
1 1 1  -31    8   60 o  171.967   5.1868  203.229   12.059  205.064   17.706  201.641   16.468  172.609   7.5696  171.325   7.0932 1.284241 10.37362 
1 1 1  -31    8   61 o  145.562   6.5434  144.003   12.010  155.987   21.684  138.700   14.425  149.221   10.723  141.902   7.5013 7.318451 13.08670 
1 1 1  -31    8   62 o  235.342   6.3051  381.572   18.784  393.497   33.282  375.998   22.755  237.010   10.362  233.674   7.1859 3.335922 12.61016 
1 1 1  -31    8   63 o  202.462   5.1615  282.238   14.141  291.543   20.668  274.047   19.391  205.535   7.4205  199.389   7.1765 6.145401 10.32306 
1 1 1  -31    8   64 o   47.346   10.055   16.096   7.0058   20.897   10.631   12.410   9.3141   52.691   14.454   42.000   13.982 10.69070 20.11016 
1 1 1  -31    8   65 o  107.249   6.0091   80.116   8.7201   79.838   12.670   80.366   12.020  106.989   8.7386  107.509   8.2506 -0.5201416 12.01812 
1 1 1  -31    8   66 o  136.750   6.5012  131.662   11.645  133.396   14.770  128.814   18.932  138.560   7.8658  134.939   10.353 3.620941 13.00230 
1 1 1  -31    8   67 o   82.404   10.100   48.073   11.278   48.073   11.278   0.0000   0.0000   82.404   10.100  ?   ?       ?      ? 
1 1 1  -31    8   68 o  140.469   6.2687  137.994   11.573  136.021   14.648  141.272   18.880  139.736   7.7354  141.203   9.8667 -1.466690 12.53749 
1 1 1  -31    8   69 o   91.783   7.3593   58.357   8.9635   51.675   11.359   69.382   14.592   85.289   9.8283   98.278   10.956 -12.98881 14.71862 
1 1 1  -31    8   70 o   65.751   9.4701   33.391   8.0999   36.518   10.492   28.776   12.744   71.199   10.874   60.303   15.508 10.89648 18.94026 
1 1 1  -31    8   71 o   54.786   10.310   23.757   7.7400   24.900   10.033   22.077   12.164   56.865   13.263   52.706   15.790 4.159229 20.62092 
1 1 1  -31    8   72 o   43.123   10.923   12.910   8.7696   2.8988   13.704   19.852   11.412   36.160   15.537   50.086   15.356 -13.92517 21.84527 
1 1 1  -31    8   73 o   43.805   11.120   13.762   8.8642   5.9853   13.469   19.703   11.773   37.897   15.796   49.713   15.656 -11.81533 22.24027 
1 1 1  -31    8   74 o   78.652   12.907   46.507   13.757   0.0000   0.0000   46.507   13.757  ?   ?    78.652   12.907      ?      ? 
1 1 1  -31    8   75 o   85.641   12.041   54.636   13.975   0.0000   0.0000   54.636   13.975  ?   ?    85.641   12.041      ?      ? 
1 1 1  -31    8   76 o   75.848   13.568   44.919   13.434   0.0000   0.0000   44.919   13.434  ?   ?    75.848   13.568      ?      ? 
1 1 1  -31    8   77 o   25.539   11.973  -7.9370   10.443   0.0000   0.0000  -7.9370   10.443  ?   ?    25.539   11.973      ?      ? 
1 1 1  -31    8   78 o   33.867   14.290   4.1009   11.234   0.0000   0.0000   4.1009   11.234  ?   ?    33.867   14.290      ?      ? 
1 1 1  -31    9    1 o  174.762   5.6645  212.010   11.224  201.209   23.257  215.289   12.815  171.511   10.006  178.014   5.3122 -6.502472 11.32897 
1 1 1  -31    9    2 o  135.385   5.7477  119.194   8.5766  135.053   19.298  115.291   9.5741  140.506   10.135  130.264   5.4236 10.24252 11.49534 
1 1 1  -31    9    3 o  284.067   6.8029  534.425   25.618  633.752   41.855  474.922   32.395  304.385   10.147  263.748   9.0638 40.63681 13.60571 
1 1 1  -31    9    4 o  259.566   5.3794  459.191   18.329  460.001   23.217  457.851   29.863  260.041   6.5885  259.091   8.5055 0.9503479 10.75878 
1 1 1  -31    9    5 o  212.913   5.2469  316.724   14.680  351.562   19.270  268.547   22.661  227.382   6.2538  198.445   8.4268 28.93729 10.49384 
1 1 1  -31    9    6 o  228.095   5.1976  351.234   15.628  341.721   19.793  366.985   25.469  224.146   6.5162  232.044   8.0995 -7.897354 10.39528 
1 1 1  -31    9    7 o  156.057   6.5107  165.639   13.769  165.639   13.769   0.0000   0.0000  156.057   6.5107  ?   ?       ?      ? 
1 1 1  -31    9    8 o  155.084   5.1138  166.212   10.541  179.711   13.985  148.455   16.040  162.568   6.3482  147.600   8.0191 14.96881 10.22767 
1 1 1  -31    9    9 o  159.132   5.1896  174.749   10.980  187.081   14.524  158.297   16.775  165.859   6.4619  152.405   8.1224 13.45396 10.37926 
1 1 1  -31    9   10 o  142.915   5.1809  139.231   9.9274  140.368   13.149  137.723   15.139  143.644   6.7552  142.185   7.8570 1.459488 10.36170 
1 1 1  -31    9   11 o  126.946   5.3189  108.612   9.1026   97.997   12.161  122.133   13.726  119.969   7.4806  133.923   7.5633 -13.95451 10.63776 
1 1 1  -31    9   12 o  160.592   5.2329  175.355   11.281  173.979   14.936  177.184   17.212  159.909   6.8924  161.274   7.8756 -1.364517 10.46570 
1 1 1  -31    9   13 o  263.940   5.5957  464.928   19.393  437.841   24.261  512.870   32.276  253.654   7.0579  274.225   8.6853 -20.57031 11.19147 
1 1 1  -31    9   14 o  215.031   5.4128  313.219   15.422  307.114   19.744  322.773   24.700  212.465   6.8575  217.597   8.3766 -5.131561 10.82550 
1 1 1  -31    9   15 o  314.839   9.6168  677.024   41.030   0.0000   0.0000  677.024   41.030  ?   ?   314.839   9.6168      ?      ? 
1 1 1  -31    9   16 o  287.044   6.0605  568.177   23.134  599.833   30.462  525.037   35.561  296.797   7.5738  277.292   9.4635 19.50574 12.12106 
1 1 1  -31    9   17 f  213.789   5.0627  305.674   13.549  297.345   16.194  325.120   24.742  209.189   5.7124  218.389   8.3602 -9.199982 10.12544 
1 1 1  -31    9   18 o  246.804   5.3287  424.764   16.349  441.266   19.765  389.022   29.090  254.833   5.7236  238.775   8.9901 16.05795 10.65750 
1 1 1  -31    9   19 o  167.376   4.9980  188.636   10.686  184.748   13.024  196.644   18.693  164.881   5.8292  169.870   8.1205 -4.989380 9.996078 
1 1 1  -31    9   20 o  124.245   5.3525  106.594   8.5881  110.268   10.742  100.086   14.297  127.354   6.2243  121.136   8.7095 6.218300 10.70499 
1 1 1  -31    9   21 o  143.364   6.0186  139.705   11.693  139.705   11.693   0.0000   0.0000  143.364   6.0186  ?   ?       ?      ? 
1 1 1  -31    9   22 o  169.667   5.8400  195.637   13.427  195.637   13.427   0.0000   0.0000  169.667   5.8400  ?   ?       ?      ? 
1 1 1  -31    9   23 o  161.341   5.1370  176.064   10.601  173.798   12.961  180.645   18.427  159.904   5.9811  162.778   8.3534 -2.874466 10.27391 
1 1 1  -31    9   24 o  160.238   5.2213  176.324   10.642  179.294   13.037  170.394   18.421  162.415   5.9234  158.059   8.6000 4.355957 10.44256 
1 1 1  -31    9   25 o  225.193   5.3207  350.833   14.973  360.049   18.112  330.939   26.612  230.169   5.8069  220.216   8.9175 9.952637 10.64146 
1 1 1  -31    9   26 o  238.202   5.2761  375.293   15.617  359.600   18.500  414.201   29.131  230.007   5.9355  246.397   8.7245 -16.38986 10.55212 
1 1 1  -31    9   27 o  254.605   5.4137  438.513   17.111  433.987   20.399  449.259   31.431  252.672   5.9575  256.538   9.0411 -3.866211 10.82737 
1 1 1  -31    9   28 o  321.332   5.8193  690.728   22.820  674.078   26.798  734.658   43.529  314.838   6.2810  327.827   9.7982 -12.98889 11.63854 
1 1 1  -31    9   29 o  122.262   5.6160  100.932   8.9580   98.464   11.178  105.363   14.977  120.284   6.8576  124.241   8.8955 -3.956581 11.23197 
1 1 1  -31    9   30 o  170.119   5.3286  196.806   11.616  196.095   14.260  198.209   20.024  169.811   6.1969  170.428   8.6703 -0.6167297 10.65723 
1 1 1  -31    9   31 f  163.360   8.7677  182.158   19.409   0.0000   0.0000  182.158   19.409  ?   ?   163.360   8.7677      ?      ? 
1 1 1  -31    9   32 o  195.625   5.8186  260.843   15.252  259.843   20.106  262.199   23.409  195.279   7.5977  195.971   8.8148 -0.6927490 11.63721 
1 1 1  -31    9   33 o  223.501   7.1223  340.174   21.571  340.174   21.571   0.0000   0.0000  223.501   7.1223  ?   ?       ?      ? 
1 1 1  -31    9   34 o  235.254   7.2071  376.978   22.976  376.978   22.976   0.0000   0.0000  235.254   7.2071  ?   ?       ?      ? 
1 1 1  -31    9   35 o  280.624   5.1069  534.877   19.379  559.878   28.570  513.575   26.373  286.651   7.3549  274.597   7.0872 12.05423 10.21385 
1 1 1  -31    9   36 o  169.567   6.3932  199.319   13.916  205.760   17.284  187.448   23.463  173.766   7.3399  165.367   10.470 8.398804 12.78644 
1 1 1  -31    9   37 o  162.391   6.3287  174.137   13.284  161.211   16.230  200.374   23.123  153.741   7.7903  171.042   9.9761 -17.30101 12.65748 
1 1 1  -31    9   38 o  247.881   5.0563  419.762   16.937  400.570   24.528  437.251   23.414  242.389   7.4675  253.374   6.8192 -10.98543 10.11266 
1 1 1  -31    9   39 o  246.248   6.1828  404.227   19.031  441.065   35.029  388.801   22.668  253.625   10.192  238.872   7.0027 14.75366 12.36569 
1 1 1  -31    9   40 o  354.313   11.397  863.737   54.724  863.737   54.724   0.0000   0.0000  354.313   11.397  ?   ?       ?      ? 
1 1 1  -31    9   41 o  273.784   7.4900  511.391   27.789  511.391   27.789   0.0000   0.0000  273.784   7.4900  ?   ?       ?      ? 
1 1 1  -31    9   42 o  202.777   5.9851  285.850   15.965  303.543   20.650  259.563   25.171  210.957   7.2235  194.598   9.5450 16.35941 11.97019 
1 1 1  -31    9   43 o  123.493   5.6099  104.365   9.3205  102.724   13.987  105.675   12.501  122.553   8.4219  124.432   7.4133 -1.878891 11.21984 
1 1 1  -31    9   44 o  233.407   5.0636  372.061   15.981  366.676   23.292  376.851   21.967  231.750   7.4165  235.064   6.8961 -3.313416 10.12719 
1 1 1  -31    9   45 o  255.502   5.1071  445.961   17.660  439.118   25.525  452.245   24.458  253.565   7.4284  257.438   7.0107 -3.873306 10.21429 
1 1 1  -31    9   46 o  134.579   6.5568  119.945   11.024  135.634   20.458  113.525   13.086  140.262   10.763  128.895   7.4917 11.36717 13.11365 
1 1 1  -31    9   47 o  111.118   6.0190   83.988   9.0189   90.932   13.602   78.540   12.048  115.156   8.7164  107.080   8.3028 8.075081 12.03800 
1 1 1  -31    9   48 o  132.050   5.4768  119.095   9.7487  121.524   14.618  117.150   13.083  133.199   8.0987  130.901   7.3751 2.298340 10.95360 
1 1 1  -31    9   49 f  221.175   5.1055  332.115   15.235  359.565   22.893  310.293   20.412  229.279   7.3681  213.071   7.0694 16.20825 10.21099 
1 1 1  -31    9   50 o  199.970   6.4061  274.547   15.851  276.210   29.110  273.846   18.899  199.793   10.752  200.147   6.9680 -0.3540649 12.81224 
1 1 1  -31    9   51 o  109.958   7.8994   84.499   10.352   82.590   20.019   85.196   12.094  108.473   13.619  111.443   8.0083 -2.969887 15.79885 
1 1 1  -31    9   52 o  124.697   7.2827  107.051   11.763  105.636   14.594  109.675   19.875  123.908   8.6915  125.486   11.688 -1.577499 14.56532 
1 1 1  -31    9   53 o  190.934   5.1322  250.423   13.239  240.242   19.235  259.587   18.249  187.139   7.5850  194.729   6.9155 -7.590515 10.26432 
1 1 1  -31    9   54 o  119.056   5.8180   99.370   9.2030   83.007   13.610  113.156   12.492  109.636   9.1603  128.476   7.1751 -18.84001 11.63590 
1 1 1  -31    9   55 o   75.657   7.9133   41.688   7.6317   33.646   11.570   47.882   10.154   68.064   13.018   83.250   9.0007 -15.18588 15.82655 
1 1 1  -31    9   56 o  204.634   5.1552  288.147   14.243  280.625   20.897  294.674   19.465  202.001   7.6340  207.266   6.9302 -5.264145 10.31048 
1 1 1  -31    9   57 f  180.180   5.2313  224.204   12.705  211.920   18.632  234.880   17.369  175.385   7.8393  184.975   6.9291 -9.590866 10.46269 
1 1 1  -31    9   58 o  164.315   5.2841  186.788   11.702  174.779   17.100  197.367   16.048  159.159   7.9282  169.471   6.9879 -10.31207 10.56815 
1 1 1  -31    9   59 o  185.768   5.1844  238.541   13.001  224.609   18.851  251.180   17.956  180.416   7.7103  191.120   6.9328 -10.70461 10.36884 
1 1 1  -31    9   60 o   53.938   8.9801   22.022   6.8842   11.791   10.211   30.547   9.3210   41.904   14.624   65.972   10.426 -24.06761 17.96017 
1 1 1  -31    9   61 o   79.579   8.6120   45.034   8.4015   47.499   15.027   43.913   10.133   79.883   14.412   79.276   9.4325 0.6067810 17.22399 
1 1 1  -31    9   62 o   52.808   8.7423   21.075   6.7946   8.3786   9.9095   32.341   9.3344   37.825   14.229   67.791   10.161 -29.96572 17.48460 
1 1 1  -31    9   63 o   85.719   7.5736   51.089   8.6880   46.186   11.258   58.312   13.662   80.878   10.271   90.559   11.133 -9.680618 15.14724 
1 1 1  -31    9   64 o  107.169   6.7739   78.982   9.6565   71.667   12.321   90.632   15.548  101.124   8.9909  113.213   10.134 -12.08883 13.54781 
1 1 1  -31    9   65 o   69.563   8.9690   35.580   8.1071   35.230   10.493   36.098   12.770   70.202   11.030   68.925   14.146 1.277199 17.93792 
1 1 1  -31    9   66 o   85.887   9.8493   52.316   11.463   52.316   11.463   0.0000   0.0000   85.887   9.8493  ?   ?       ?      ? 
1 1 1  -31    9   67 o   68.414   8.9506   35.246   7.8871   36.967   10.182   32.665   12.471   71.877   10.453   64.951   14.532 6.926041 17.90125 
1 1 1  -31    9   68 f   49.679   10.313   18.769   7.3209   16.419   9.5372   22.141   11.423   46.299   14.006   53.059   15.141 -6.760586 20.62577 
1 1 1  -31    9   69 o  105.586   6.7766   77.258   9.4994   68.855   12.055   91.026   15.430   98.526   9.0288  112.646   10.108 -14.12063 13.55315 
1 1 1  -31    9   70 o   67.465   10.543   37.493   9.7995   21.804   14.552   50.510   13.256   52.007   17.478   82.923   11.796 -30.91663 21.08648 
1 1 1  -31    9   71 f   66.604   11.020   35.097   9.6672   40.347   15.069   31.425   12.602   70.509   16.122   62.700   15.028 7.808678 22.03974 
1 1 1  -31    9   72 o   56.801   11.625   26.380   9.3633   28.701   14.512   24.726   12.255   58.512   17.177   55.090   15.670 3.421738 23.25069 
1 1 1  -31    9   73 o   87.761   12.121   57.465   14.415   0.0000   0.0000   57.465   14.415  ?   ?    87.761   12.121      ?      ? 
1 1 1  -31    9   74 o   80.587   12.716   49.096   13.887   0.0000   0.0000   49.096   13.887  ?   ?    80.587   12.716      ?      ? 
1 1 1  -31    9   75 o   72.581   14.337   42.023   13.601   0.0000   0.0000   42.023   13.601  ?   ?    72.581   14.337      ?      ? 
1 1 1  -31    9   76 o   22.786   11.027 -14.2029   10.433   0.0000   0.0000 -14.2029   10.433  ?   ?    22.786   11.027      ?      ? 
1 1 1  -31    9   77 o   71.096   14.219   40.632   13.221   0.0000   0.0000   40.632   13.221  ?   ?    71.096   14.219      ?      ? 
1 1 1  -31   10    1 o  124.908   4.4772  105.117   7.0897  109.190   12.577  103.219   8.5833  126.570   7.3328  123.246   5.1393 3.324043 8.954454 
1 1 1  -31   10    2 o  103.036   4.4400   73.422   5.9719   77.060   7.6051   67.571   9.6449  106.484   5.2703   99.587   7.1468 6.897400 8.879947 
1 1 1  -31   10    3 o  105.596   4.6169   76.623   6.3787   78.835   8.0995   73.011   10.351  107.688   5.5502  103.504   7.3795 4.184158 9.233711 
1 1 1  -31   10    4 o  182.980   5.2797  230.369   12.952  263.036   18.062  195.796   18.582  196.553   6.7813  169.407   8.0942 27.14673 10.55947 
1 1 1  -31   10    5 o  168.473   4.5194  188.653   9.7637  179.905   11.881  206.849   17.136  162.701   5.3886  174.246   7.2569 -11.54504 9.038839 
1 1 1  -31   10    6 o  152.717   4.4903  153.957   8.8547  144.040   10.822  174.049   15.403  145.577   5.4854  159.857   7.1105 -14.27959 8.980512 
1 1 1  -31   10    7 o  142.210   4.8418  142.084   8.8046  152.734   11.031  123.392   14.615  149.913   5.4300  134.508   8.0179 15.40472 9.683537 
1 1 1  -31   10    8 o  166.543   5.4727  188.502   12.351  188.502   12.351   0.0000   0.0000  166.543   5.4727  ?   ?       ?      ? 
1 1 1  -31   10    9 o  171.639   4.8392  203.530   10.645  210.199   13.197  191.111   18.009  175.862   5.5374  167.416   7.9378 8.445770 9.678435 
1 1 1  -31   10   10 o  146.839   4.9275  150.550   9.3456  160.759   11.811  133.456   15.284  153.786   5.6674  139.891   8.0623 13.89505 9.854939 
1 1 1  -31   10   11 o  118.726   5.1680   99.362   7.9719  111.175   10.327   81.942   12.541  127.868   5.9598  109.584   8.4448 18.28439 10.33604 
1 1 1  -31   10   12 o   90.654   5.5595   56.667   6.7021   59.889   8.8277   52.282   10.298   93.792   6.9454   87.516   8.6829 6.275909 11.11898 
1 1 1  -31   10   13 o  122.058   5.1421  103.687   8.1822  110.713   10.461   92.617   13.131  127.597   6.0502  116.519   8.3163 11.07839 10.28420 
1 1 1  -31   10   14 o   90.292   5.8103   57.103   6.8850   63.440   9.0235   48.274   10.652   96.537   6.8976   84.047   9.3520 12.48933 11.62056 
1 1 1  -31   10   15 o  183.179   5.4204  227.460   13.395  216.736   17.955  240.921   20.115  178.368   7.4281  187.991   7.8959 -9.623016 10.84077 
1 1 1  -31   10   16 o  185.054   5.5500  235.366   13.796  254.444   18.841  213.312   20.257  193.295   7.1928  176.813   8.4541 16.48178 11.09994 
1 1 1  -31   10   17 o   87.309   6.0061   52.789   6.9083   55.735   8.9385   48.418   10.887   90.460   7.2916   84.157   9.5461 6.303352 12.01229 
1 1 1  -31   10   18 o  129.835   5.0492  110.401   8.5782   99.188   10.611  131.550   14.573  120.741   6.4852  138.929   7.7408 -18.18749 10.09841 
1 1 1  -31   10   19 o   92.870   5.7788   58.394   7.1164   56.813   9.1084   60.873   11.402   91.325   7.3599   94.415   8.9113 -3.090050 11.55767 
1 1 1  -31   10   20 o  130.734   5.1801  114.524   8.8160  109.884   10.932  123.157   14.910  127.094   6.3471  134.374   8.1882 -7.279572 10.36011 
1 1 1  -31   10   21 o  150.985   6.0739  155.030   12.428  155.030   12.428   0.0000   0.0000  150.985   6.0739  ?   ?       ?      ? 
1 1 1  -31   10   22 o  170.948   5.1842  201.193   11.325  205.669   13.959  192.573   19.372  173.918   5.9228  167.977   8.5103 5.941238 10.36844 
1 1 1  -31   10   23 o  166.799   5.0447  186.143   10.830  179.217   13.256  200.047   18.781  162.337   6.0256  171.260   8.0926 -8.923050 10.08946 
1 1 1  -31   10   24 o  145.758   5.2123  143.978   9.8383  142.162   12.194  147.366   16.653  144.564   6.2243  146.953   8.3625 -2.389832 10.42466 
1 1 1  -31   10   25 o  144.337   5.4239  146.469   10.025  157.483   12.581  127.312   16.593  152.163   6.1011  136.511   8.9694 15.65221 10.84776 
1 1 1  -31   10   26 o  153.642   5.6730  161.711   11.689  166.273   15.583  155.842   17.675  156.211   7.3615  151.073   8.6337 5.138046 11.34605 
1 1 1  -31   10   27 o  187.425   6.4917  241.462   16.339  228.867   24.432  251.654   21.977  182.852   9.8599  191.998   8.4469 -9.146271 12.98337 
1 1 1  -31   10   28 o  104.353   5.8010   71.216   7.9979   61.084   10.036   88.852   13.241   94.639   7.8252  114.067   8.5657 -19.42860 11.60196 
1 1 1  -31   10   29 o  110.521   5.7205   80.699   8.3036   73.374   10.343   93.980   13.927  103.758   7.3561  117.284   8.7626 -13.52535 11.44099 
1 1 1  -31   10   30 o  131.448   6.0343  117.937   10.719  116.980   14.596  119.057   15.792  130.907   8.2281  131.989   8.8290 -1.082550 12.06868 
1 1 1  -31   10   31 o   42.855   10.135   11.587   7.2506   5.5871   10.556   16.946   9.9764   36.773   14.459   48.936   14.206 -12.16256 20.27042 
1 1 1  -31   10   32 o  108.291   5.9906   79.423   8.4972   77.492   10.663   82.782   14.065  106.610   7.3808  109.972   9.4378 -3.361649 11.98120 
1 1 1  -31   10   33 o  158.562   5.3561  168.068   10.946  160.859   13.403  182.502   18.966  153.707   6.4349  163.416   8.5642 -9.709137 10.71230 
1 1 1  -31   10   34 o  142.886   5.8700  138.178   11.247  131.025   14.721  148.210   17.433  138.548   7.8406  147.224   8.7381 -8.675369 11.74003 
1 1 1  -31   10   35 o  134.490   6.0666  124.634   10.916  130.749   14.555  116.774   16.504  138.400   7.7608  130.580   9.3265 7.819305 12.13323 
1 1 1  -31   10   36 o   88.405   9.6940   53.586   11.613   53.586   11.613   0.0000   0.0000   88.405   9.6940  ?   ?       ?      ? 
1 1 1  -31   10   37 o   69.124   7.8038   32.523   7.0580   40.897   10.942   26.556   9.2365   77.140   10.467   61.109   11.578 16.03120 15.60764 
1 1 1  -31   10   38 o   81.383   6.8432   46.440   7.3197   40.667   11.419   50.467   9.5369   76.850   10.964   85.915   8.1913 -9.064514 13.68637 
1 1 1  -31   10   39 o   77.244   7.6474   44.136   7.2984   30.998   11.209   53.806   9.6162   65.773   13.037   88.716   7.9987 -22.94331 15.29490 
1 1 1  -31   10   40 o  136.597   5.3046  128.764   9.7107  115.556   14.349  139.924   13.190  129.969   8.1469  143.225   6.7959 -13.25668 10.60926 
1 1 1  -31   10   41 o  210.759   5.0074  301.909   14.254  319.041   21.232  287.852   19.232  216.140   7.2489  205.377   6.9102 10.76285 10.01481 
1 1 1  -31   10   42 o  270.877   6.1038  505.661   21.758  514.749   27.794  491.278   34.966  274.429   7.4738  267.326   9.6522 7.102814 12.20752 
1 1 1  -31   10   43 f  133.155   5.4427  122.796   9.6951  107.572   14.280  135.813   13.205  125.280   8.4116  141.029   6.9093 -15.74969 10.88544 
1 1 1  -31   10   44 o  114.042   5.7457   89.706   8.7868   84.378   13.183   93.965   11.787  110.870   8.7744  117.215   7.4205 -6.344704 11.49144 
1 1 1  -31   10   45 o  170.382   6.5003  193.190   13.492  214.579   26.037  185.338   15.776  176.105   10.910  164.659   7.0700 11.44597 13.00069 
1 1 1  -31   10   46 o  133.831   11.120  124.147   20.167   0.0000   0.0000  124.147   20.167  ?   ?   133.831   11.120      ?      ? 
1 1 1  -31   10   47 o   59.433   12.224   25.897   11.289   11.670   16.830   37.533   15.221   47.523   18.378   71.342   16.123 -23.81895 24.44825 
1 1 1  -31   10   48 o  186.839   5.1885  238.713   13.107  245.151   19.294  233.196   17.861  189.121   7.5284  184.557   7.1417 4.563217 10.37697 
1 1 1  -31   10   49 o   56.410   9.2801   22.240   7.0591   32.715   10.903   14.681   9.2623   67.415   12.392   45.405   13.818 22.00917 18.56021 
1 1 1  -31   10   50 o   93.211   6.3923   60.434   7.9806   56.207   11.976   63.811   10.704   90.105   9.8079   96.316   8.2007 -6.210945 12.78460 
1 1 1  -31   10   51 o   90.860   8.2617   58.738   9.6688   61.255   12.110   54.314   16.058   94.076   9.4993   87.645   13.520 6.430832 16.52349 
1 1 1  -31   10   52 o   74.468   7.9863   41.389   7.4059   27.875   11.006   52.572   10.012   61.633   13.547   87.303   8.4624 -25.66980 15.97256 
1 1 1  -31   10   53 o  118.117   5.6315   95.814   8.9703   99.165   13.454   93.132   12.036  119.891   8.2810  116.343   7.6341 3.547997 11.26302 
1 1 1  -31   10   54 o  143.677   5.3153  142.191   10.300  141.001   15.290  143.179   13.937  143.012   7.8894  144.342   7.1251 -1.329193 10.63060 
1 1 1  -31   10   55 o  136.358   5.4178  129.629   9.8931  113.107   14.465  144.147   13.560  127.884   8.3471  144.833   6.9091 -16.94827 10.83555 
1 1 1  -31   10   56 o  141.258   5.3801  138.523   10.224  128.298   15.025  147.340   13.952  136.190   8.1410  146.326   7.0361 -10.13611 10.76026 
1 1 1  -31   10   57 o   55.346   8.8918   23.182   6.7590   14.750   10.095   30.032   9.0993   45.258   14.524   65.435   10.262 -20.17693 17.78363 
1 1 1  -31   10   58 o   86.401   6.5382   51.571   7.6148   58.021   11.492   46.523   10.167   91.151   9.3039   81.651   9.1886 9.500023 13.07642 
1 1 1  -31   10   59 o   74.337   7.2815   39.463   7.2198   34.544   10.723   43.543   9.7650   69.735   11.347   78.938   9.1285 -9.203148 14.56301 
1 1 1  -31   10   60 o   74.428   9.9397   39.767   9.7124   52.173   15.212   31.229   12.619   84.840   13.231   64.015   14.837 20.82537 19.87937 
1 1 1  -31   10   61 o  121.656   6.4918  104.475   10.496  107.371   13.702  100.364   16.328  124.154   8.1443  119.158   10.111 4.996178 12.98353 
1 1 1  -31   10   62 o   33.167   9.6453   3.7457   6.9353   3.1339   9.3021   4.5114   10.407   31.902   13.198   34.431   14.070 -2.528711 19.29069 
1 1 1  -31   10   63 o   74.767   8.5457   39.445   8.0276   22.870   10.401   63.866   12.625   54.599   13.993   94.934   9.8135 -40.33533 17.09133 
1 1 1  -31   10   64 o   70.730   8.8199   37.180   8.1081   37.918   10.608   36.144   12.575   72.709   10.766   68.751   13.974 3.958633 17.63978 
1 1 1  -31   10   65 o  103.340   8.8869   75.416   12.445   75.416   12.445   0.0000   0.0000  103.340   8.8869  ?   ?       ?      ? 
1 1 1  -31   10   66 o  131.909   6.3725  121.064   11.059  114.343   13.900  132.659   18.256  127.601   8.0385  136.216   9.8902 -8.615341 12.74491 
1 1 1  -31   10   67 o   82.829   10.008   54.559   10.512   39.011   15.581   67.550   14.242   69.147   16.795   96.512   10.889 -27.36540 20.01578 
1 1 1  -31   10   68 o   55.254   10.339   25.308   9.1867   6.3017   14.077   39.408   12.125   38.674   16.136   71.834   12.931 -33.16054 20.67797 
1 1 1  -31   10   69 o   38.494   10.787   8.5729   8.4071   4.9585   13.393   10.923   10.800   37.018   15.610   39.970   14.890 -2.951904 21.57312 
1 1 1  -31   10   70 o   36.551   10.558   6.2145   8.1892   8.8810   12.705   4.3193   10.711   39.267   15.725   33.835   14.093 5.431702 21.11617 
1 1 1  -31   10   71 o   64.329   11.384   33.727   9.7550   37.061   15.423   31.505   12.594   66.303   17.065   62.355   15.072 3.947449 22.76765 
1 1 1  -31   10   72 o   49.773   11.466   20.481   9.0227   16.373   13.538   23.764   12.102   45.897   16.745   53.649   15.668 -7.752583 22.93178 
1 1 1  -31   10   73 o   69.314   14.527   38.629   13.209   0.0000   0.0000   38.629   13.209  ?   ?    69.314   14.527      ?      ? 
1 1 1  -31   10   74 o   71.987   14.467   41.715   13.623   0.0000   0.0000   41.715   13.623  ?   ?    71.987   14.467      ?      ? 
1 1 1  -31   10   75 o   68.626   15.108   38.745   13.669   0.0000   0.0000   38.745   13.669  ?   ?    68.626   15.108      ?      ? 
1 1 1  -31   10   76 o   48.945   16.540   20.320   13.032   0.0000   0.0000   20.320   13.032  ?   ?    48.945   16.540      ?      ? 
1 1 1  -31   11    1 o  142.993   7.2463  139.531   14.042  139.531   14.042   0.0000   0.0000  142.993   7.2463  ?   ?       ?      ? 
1 1 1  -31   11    2 o  146.683   4.4550  146.820   8.3808  147.381   10.317  145.730   14.370  147.222   5.1714  146.144   7.2557 1.077591 8.910072 
1 1 1  -31   11    3 o  180.706   4.5983  222.524   10.547  222.609   12.843  222.346   18.488  180.933   5.2378  180.478   7.5592 0.4556580 9.196547 
1 1 1  -31   11    4 o  120.526   5.3772   98.862   8.7631  103.453   12.924   94.955   11.922  123.092   7.7479  117.961   7.4584 5.131065 10.75442 
1 1 1  -31   11    5 o  158.118   4.9135  179.677   9.8057  201.858   12.335  141.595   16.163  172.299   5.2830  143.937   8.2862 28.36201 9.827058 
1 1 1  -31   11    6 o  175.323   4.7625  212.836   10.666  220.148   13.185  198.994   18.140  179.925   5.4077  170.721   7.8411 9.203781 9.525057 
1 1 1  -31   11    7 o  120.339   4.7968   99.411   7.5829  101.809   9.6736   95.588   12.213  122.323   5.8358  118.354   7.6145 3.969604 9.593563 
1 1 1  -31   11    8 o  159.958   5.6047  174.028   12.149  174.028   12.149   0.0000   0.0000  159.958   5.6047  ?   ?       ?      ? 
1 1 1  -31   11    9 o  217.410   4.8611  317.030   13.371  308.329   16.124  336.183   23.923  212.919   5.5884  221.902   7.9557 -8.982651 9.722281 
1 1 1  -31   11   10 f   77.328   5.5660   40.521   5.7938   34.449   7.8667   47.718   8.5651   71.021   8.1738   83.635   7.5573 -12.61404 11.13205 
1 1 1  -31   11   11 o   53.040   7.6141   19.950   5.3717   26.412   7.6660   13.717   7.5292   62.130   9.1052   43.951   12.206 18.17826 15.22821 
1 1 1  -31   11   12 o   67.051   6.8849   32.199   5.8501   41.274   8.1568   22.588   8.3948   77.773   7.7394   56.330   11.389 21.44262 13.76974 
1 1 1  -31   11   13 o  128.296   4.9490  112.155   8.3970  112.099   10.761  112.242   13.427  128.336   6.1874  128.257   7.7256 0.7904053E-01 9.897903 
1 1 1  -31   11   14 o   83.269   5.9174   48.013   6.5783   52.658   8.8746   42.348   9.8005   87.871   7.4528   78.667   9.1933 9.203247 11.83475 
1 1 1  -31   11   15 o  189.429   5.6787  247.708   14.347  296.396   20.223  198.377   20.356  208.526   7.1566  170.333   8.8189 38.19318 11.35741 
1 1 1  -31   11   16 o  209.799   4.9563  288.241   13.264  267.388   15.979  334.447   23.786  198.242   5.9480  221.356   7.9297 -23.11423 9.912567 
1 1 1  -31   11   17 o   78.792   6.3042   42.242   6.6929   40.560   8.9283   44.399   10.112   77.040   8.5521   80.544   9.2645 -3.504112 12.60831 
1 1 1  -31   11   18 o  130.976   5.2318  118.093   8.9628  121.459   11.376  112.584   14.554  133.577   6.2846  128.375   8.3659 5.201950 10.46350 
1 1 1  -31   11   19 o   61.858   7.7932   27.493   6.2399   33.032   8.5247   21.099   9.1584   69.486   9.0531   54.230   12.688 15.25568 15.58643 
1 1 1  -31   11   20 o   52.177   11.941   19.488   8.2603   19.488   8.2603   0.0000   0.0000   52.177   11.941  ?   ?       ?      ? 
1 1 1  -31   11   21 o   70.190   9.2098   33.720   8.7601   33.720   8.7601   0.0000   0.0000   70.190   9.2098  ?   ?       ?      ? 
1 1 1  -31   11   22 o  200.082   6.3677  272.884   17.128  281.785   26.085  266.137   22.710  202.832   9.4902  197.331   8.4927 5.500916 12.73538 
1 1 1  -31   11   23 f  158.569   5.6273  170.968   12.048  163.836   16.232  179.717   17.978  154.936   7.7311  162.202   8.1790 -7.265594 11.25455 
1 1 1  -31   11   24 o  110.932   5.8466   86.857   8.4709   98.410   11.114   70.846   13.084  120.172   6.8250  101.692   9.4947 18.47968 11.69319 
1 1 1  -31   11   25 o  166.474   5.5618  190.189   12.403  196.210   16.497  182.362   18.810  169.627   7.1766  163.322   8.4989 6.304840 11.12363 
1 1 1  -31   11   26 o  165.509   5.5133  181.521   12.179  153.842   15.691  223.472   19.317  150.119   7.7131  180.900   7.8800 -30.78087 11.02664 
1 1 1  -31   11   27 o  108.386   6.1427   80.475   9.0029   82.247   12.418   78.511   13.071  109.685   8.3544  107.088   9.0074 2.596802 12.28530 
1 1 1  -31   11   28 o  172.466   5.7522  207.816   13.141  238.947   17.789  170.429   19.495  187.190   7.0128  157.742   9.1200 29.44777 11.50449 
1 1 1  -31   11   29 o  147.693   5.9287  149.115   11.859  147.303   16.454  151.074   17.108  146.777   8.2722  148.608   8.4952 -1.830353 11.85741 
1 1 1  -31   11   30 o  149.099   5.8761  152.562   11.825  159.792   16.275  144.477   17.211  152.928   7.8535  145.270   8.7428 7.657715 11.75219 
1 1 1  -31   11   31 o  159.217   5.3018  171.311   10.910  167.271   13.458  179.055   18.633  156.684   6.3385  161.751   8.5006 -5.066666 10.60367 
1 1 1  -31   11   32 o  153.302   5.5009  163.605   10.835  170.755   13.516  150.749   18.125  158.302   6.3008  148.302   9.0188 9.999619 11.00172 
1 1 1  -31   11   33 o  134.049   5.5101  119.179   9.6508  109.984   11.951  136.419   16.363  126.958   6.9461  141.140   8.5554 -14.18125 11.02016 
1 1 1  -31   11   34 o  142.648   5.4306  133.868   10.049  122.289   12.308  157.020   17.404  133.882   6.7840  151.415   8.4819 -17.53294 10.86116 
1 1 1  -31   11   35 o  225.012   6.0664  345.008   18.498  345.008   18.498   0.0000   0.0000  225.012   6.0664  ?   ?       ?      ? 
1 1 1  -31   11   36 o  138.301   6.5931  130.498   12.357  130.498   12.357   0.0000   0.0000  138.301   6.5931  ?   ?       ?      ? 
1 1 1  -31   11   37 o   86.183   6.7800   50.705   7.7231   49.401   9.8320   52.806   12.480   84.879   8.5479   87.488   10.526 -2.608833 13.55991 
1 1 1  -31   11   38 o  108.724   6.4781   86.445   8.8406   99.533   11.189   64.696   14.424  120.722   6.8392   96.725   11.004 23.99739 12.95630 
1 1 1  -31   11   39 o  125.196   6.2225  107.519   10.468  106.665   13.905  108.636   15.902  124.728   8.2268  125.663   9.3379 -0.9344254 12.44498 
1 1 1  -31   11   40 o  146.981   6.5728  153.905   11.697  136.616   21.519  161.155   13.936  140.367   11.313  153.595   6.6954 -13.22842 13.14568 
1 1 1  -31   11   41 o  129.815   6.9917  118.645   10.876  111.108   20.639  121.543   12.797  126.329   12.056  133.302   7.0841 -6.972778 13.98341 
1 1 1  -31   11   42 o  133.884   7.7192  141.651   11.658   89.874   21.351  163.646   13.916  113.028   13.939  154.739   6.6363 -41.71162 15.43843 
1 1 1  -31   11   43 f   77.088   7.2473   39.615   7.4271   50.075   11.974   33.074   9.4688   85.031   10.391   69.146   10.105 15.88535 14.49457 
1 1 1  -31   11   44 o  137.542   6.6011  128.330   11.110  135.856   21.039  125.420   13.083  139.767   11.108  135.318   7.1348 4.449417 13.20218 
1 1 1  -31   11   45 o  163.450   6.2642  181.051   12.584  191.730   23.663  176.840   14.860  166.180   10.508  160.719   6.8229 5.460785 12.52835 
1 1 1  -31   11   46 o  120.275   5.4787   98.901   8.8757  103.703   13.429   95.175   11.828  122.784   8.0706  117.765   7.4114 5.018341 10.95732 
1 1 1  -31   11   47 o   93.267   6.2505   59.984   7.8357   60.711   11.890   59.427   10.418   93.658   9.3678   92.876   8.2777 0.7817764 12.50105 
1 1 1  -31   11   48 o  111.072   5.7789   85.225   8.6251   83.362   12.985   86.696   11.538  109.852   8.7228  112.291   7.5824 -2.438385 11.55772 
1 1 1  -31   11   49 o  117.221   5.6658   95.228   8.9222   90.165   13.308   99.362   12.025  114.225   8.5978  120.218   7.3812 -5.993080 11.33155 
1 1 1  -31   11   50 o   43.434   10.817   11.036   7.8103   6.9044   9.8145   18.171   12.897   36.565   14.064   50.303   16.439 -13.73735 21.63427 
1 1 1  -31   11   51 o   59.634   8.9299   26.248   6.9334   24.820   10.581   27.323   9.1785   57.843   13.708   61.425   11.448 -3.582619 17.85984 
1 1 1  -31   11   52 o   53.396   10.324   21.584   7.3384   19.026   13.528   22.651   8.7354   51.180   16.841   55.613   11.947 -4.433098 20.64886 
1 1 1  -31   11   53 o   98.409   8.9503   69.668   11.652   52.411   16.271   87.833   16.694   85.192   14.094  111.626   11.036 -26.43413 17.90057 
1 1 1  -31   11   54 o  102.065   7.6500   74.729   10.113   78.324   12.775   68.694   16.550  106.062   8.8884   98.068   12.453 7.993996 15.29998 
1 1 1  -31   11   55 o  103.341   6.1189   74.435   8.5579   72.312   12.300   76.427   11.914  101.826   8.9140  104.856   8.3848 -3.029633 12.23781 
1 1 1  -31   11   56 o   62.134   9.1133   26.603   7.6721   13.934   9.8823   45.824   12.172   43.962   14.391   80.306   11.185 -36.34453 18.22651 
1 1 1  -31   11   57 o  101.911   6.9114   73.353   9.3219   74.230   12.019   72.028   14.767  103.113   8.6018  100.710   10.820 2.402496 13.82289 
1 1 1  -31   11   58 o  106.765   6.7197   77.692   9.5516   66.691   12.199   95.121   15.355   97.421   9.2405  116.109   9.7588 -18.68774 13.43948 
1 1 1  -31   11   59 o   93.036   8.3574   62.797   10.397   59.470   15.751   65.366   13.841   90.318   12.869   95.753   10.667 -5.435158 16.71481 
1 1 1  -31   11   60 o   67.250   8.7330   32.116   7.6707   24.432   9.9065   43.620   12.122   56.719   13.146   77.781   11.500 -21.06291 17.46597 
1 1 1  -31   11   61 f   88.623   8.0295   59.781   8.8683   72.105   11.791   43.728   13.457  101.262   8.5923   75.984   13.567 25.27853 16.05900 
1 1 1  -31   11   62 o   72.689   8.2491   37.710   7.8401   31.111   10.161   47.418   12.324   64.435   12.081   80.943   11.236 -16.50806 16.49820 
1 1 1  -31   11   63 o   79.153   7.8344   45.472   8.2736   45.843   10.846   44.957   12.796   80.016   10.002   78.290   12.061 1.725449 15.66882 
1 1 1  -31   11   64 o   41.519   16.250   10.644   13.279   10.644   13.279   0.0000   0.0000   41.519   16.250  ?   ?       ?      ? 
1 1 1  -31   11   65 o   40.944   10.884   11.218   8.3625   6.7338   12.844   14.517   11.018   37.946   15.583   43.942   15.199 -5.996483 21.76735 
1 1 1  -31   11   66 o   58.641   11.083   27.679   8.8531   29.424   13.983   26.511   11.437   59.631   16.661   57.651   14.619 1.979492 22.16518 
1 1 1  -31   11   67 o   47.943   10.131   17.791   8.3739   2.3969   12.713   29.589   11.129   34.531   14.901   61.355   13.729 -26.82431 20.26135 
1 1 1  -31   11   68 o   45.235   10.908   15.927   8.5697   7.1628   13.419   21.963   11.137   38.380   15.862   52.089   14.977 -13.70928 21.81570 
1 1 1  -31   11   69 o   54.035   11.410   24.707   9.1456   19.706   14.230   28.226   11.937   49.145   17.257   58.924   14.931 -9.779308 22.82012 
1 1 1  -31   11   70 o   37.462   10.749   7.6626   8.4380   7.6364   13.066   7.6813   11.051   38.223   15.709   36.701   14.677 1.522263 21.49888 
1 1 1  -31   11   71 o   86.436   12.445   56.660   14.577   0.0000   0.0000   56.660   14.577  ?   ?    86.436   12.445      ?      ? 
1 1 1  -31   11   72 o   33.428   14.210   3.6285   11.244   0.0000   0.0000   3.6285   11.244  ?   ?    33.428   14.210      ?      ? 
1 1 1  -31   11   73 o   23.852   11.423 -11.6358   10.533   0.0000   0.0000 -11.6358   10.533  ?   ?    23.852   11.423      ?      ? 
1 1 1  -31   11   74 o   31.721   14.109  -0.0773   12.190   0.0000   0.0000  -0.0773   12.190  ?   ?    31.721   14.109      ?      ? 
1 1 1  -31   11   75 o   39.153   15.836   9.9181   13.023   0.0000   0.0000   9.9181   13.023  ?   ?    39.153   15.836      ?      ? 
1 1 1  -31   12    1 f  122.730   8.0140  103.205   13.329  103.205   13.329   0.0000   0.0000  122.730   8.0140  ?   ?       ?      ? 
1 1 1  -31   12    2 o   68.122   5.1785   32.421   4.6354   35.146   6.0301   28.484   7.2476   71.786   6.1987   64.458   8.2972 7.327744 10.35696 
1 1 1  -31   12    3 o  144.339   4.6331  143.548   8.6647  147.060   10.851  137.368   14.394  146.958   5.4487  141.719   7.4949 5.238144 9.266178 
1 1 1  -31   12    4 o  216.910   6.5027  324.078   18.645  319.319   29.718  327.168   23.943  215.255   10.188  218.566   8.0838 -3.311157 13.00537 
1 1 1  -31   12    5 o   74.120   5.6940   37.661   5.7055   34.571   8.0465   40.785   8.0913   71.029   8.3597   77.212   7.7331 -6.182533 11.38791 
1 1 1  -31   12    6 o   88.034   5.4463   52.947   6.4858   48.687   9.0171   57.514   9.3359   84.350   7.8886   91.719   7.5113 -7.369789 10.89265 
1 1 1  -31   12    7 f  185.644   5.4750  244.559   13.253  295.247   17.878  182.731   19.745  208.088   6.3400  163.200   8.9280 44.88742 10.95008 
1 1 1  -31   12    8 o  227.210   6.6934  352.231   20.609  352.231   20.609   0.0000   0.0000  227.210   6.6934  ?   ?       ?      ? 
1 1 1  -31   12    9 o  171.191   5.0867  198.170   11.670  187.661   15.242  213.057   18.141  165.835   6.7822  176.546   7.5827 -10.71025 10.17332 
1 1 1  -31   12   10 o  139.158   5.1789  132.064   9.7201  130.076   13.080  134.516   14.526  138.041   6.9924  140.276   7.6413 -2.235275 10.35775 
1 1 1  -31   12   11 o  111.771   5.4901   85.444   8.3063   85.949   11.499   84.893   12.011  112.142   7.5669  111.400   7.9565 0.7413864 10.98016 
1 1 1  -31   12   12 o   82.035   5.6426   45.930   6.2573   44.625   8.5071   47.468   9.2360   80.789   7.7705   83.281   8.1838 -2.492706 11.28513 
1 1 1  -31   12   13 o  138.198   4.9499  129.932   9.0460  128.435   11.560  132.296   14.529  137.282   6.2139  139.115   7.7068 -1.832703 9.899888 
1 1 1  -31   12   14 o  189.878   5.1592  255.888   12.510  280.457   15.767  214.134   20.555  202.952   5.7330  176.803   8.5791 26.14804 10.31832 
1 1 1  -31   12   15 o  324.342   6.3362  730.764   27.350  782.890   36.278  662.126   41.630  338.341   7.9124  310.343   9.8987 27.99832 12.67244 
1 1 1  -31   12   16 o  340.572   6.3784  782.843   28.638  743.805   36.118  848.945   46.998  329.720   8.0833  351.423   9.8689 -21.70218 12.75681 
1 1 1  -31   12   17 o  199.745   5.4071  266.961   14.453  237.882   18.716  309.911   22.746  186.610   7.4012  212.879   7.8848 -26.26964 10.81424 
1 1 1  -31   12   18 o  134.845   6.4563  123.665   11.500  129.523   18.640  120.064   14.613  137.231   10.023  132.460   8.1407 4.770737 12.91253 
1 1 1  -31   12   19 o   74.864   6.4630   38.122   6.4853   30.909   8.7744   46.807   9.6281   67.072   9.6537   82.656   8.5957 -15.58437 12.92592 
1 1 1  -31   12   20 o  109.956   6.9352   82.518   10.334   82.518   10.334   0.0000   0.0000  109.956   6.9352  ?   ?       ?      ? 
1 1 1  -31   12   21 o  136.619   5.3965  132.147   9.4900  145.153   12.072  111.107   15.354  145.950   6.1036  127.287   8.9015 18.66306 10.79309 
1 1 1  -31   12   22 o  157.580   5.3326  175.594   10.780  191.100   13.616  149.550   17.647  167.477   5.9996  147.683   8.8176 19.79324 10.66512 
1 1 1  -31   12   23 o  235.093   5.3013  380.292   15.755  384.952   19.174  370.606   27.642  237.702   5.9526  232.484   8.7739 5.217865 10.60263 
1 1 1  -31   12   24 o  204.262   5.0130  268.421   13.018  240.752   15.560  332.947   23.762  187.947   6.1094  220.577   7.9495 -32.62985 10.02596 
1 1 1  -31   12   25 o   85.396   6.6007   52.601   7.2506   62.695   9.5488   38.858   11.143   95.779   7.3569   75.013   10.961 20.76656 13.20142 
1 1 1  -31   12   26 o   67.865   7.2082   31.899   6.5584   33.025   8.7585   30.462   9.8950   69.328   9.3227   66.403   10.996 2.924667 14.41634 
1 1 1  -31   12   27 o  209.649   5.1869  297.929   13.819  293.279   16.781  307.725   24.357  207.440   5.9696  211.857   8.4839 -4.417435 10.37371 
1 1 1  -31   12   28 o  143.386   5.2089  135.437   9.7949  121.701   12.158  160.839   16.533  133.515   6.7197  153.258   7.9609 -19.74208 10.41777 
1 1 1  -31   12   29 o   71.335   8.3127   35.288   7.7533   44.535   11.684   28.013   10.364   80.284   10.740   62.385   12.691 17.89910 16.62533 
1 1 1  -31   12   30 o  118.353   5.5571   95.140   8.6782   92.552   11.010   99.384   14.101  116.380   6.9812  120.327   8.6480 -3.947327 11.11423 
1 1 1  -31   12   31 o   64.552   8.0413   29.556   6.7940   30.952   9.0845   27.784   10.234   66.991   10.007   62.113   12.590 4.877960 16.08251 
1 1 1  -31   12   32 o  129.561   6.1615  115.852   10.765  123.732   14.876  107.187   15.599  134.316   8.1727  124.807   9.2230 9.508652 12.32302 
1 1 1  -31   12   33 o  129.164   6.1952  114.069   10.802  101.056   14.747  129.134   15.867  121.211   8.9779  137.117   8.5394 -15.90536 12.39046 
1 1 1  -31   12   34 o  210.422   7.5654  303.322   21.573  303.322   21.573   0.0000   0.0000  210.422   7.5654  ?   ?       ?      ? 
1 1 1  -31   12   35 o  158.903   8.1457  173.342   17.540  173.342   17.540   0.0000   0.0000  158.903   8.1457  ?   ?       ?      ? 
1 1 1  -31   12   36 o  171.455   5.4010  200.671   11.973  198.602   14.826  204.551   20.303  170.487   6.4172  172.422   8.6892 -1.935120 10.80196 
1 1 1  -31   12   37 o  133.010   5.5609  119.139   9.6641  113.184   12.023  130.010   16.245  128.601   6.8991  137.420   8.7233 -8.818710 11.12173 
1 1 1  -31   12   38 o  119.905   5.8767   99.355   9.1877  100.671   11.568   97.106   15.122  121.238   7.0408  118.573   9.4111 2.664246 11.75340 
1 1 1  -31   12   39 o  134.244   5.6435  123.978   9.8134  124.261   12.217  123.463   16.475  134.743   6.6910  133.744   9.0899 0.9988403 11.28694 
1 1 1  -31   12   40 o  178.723   5.2364  204.540   11.909  179.809   14.219  262.637   21.794  162.110   6.4726  195.336   8.2332 -33.22604 10.47284 
1 1 1  -31   12   41 o   80.646   7.1276   45.553   7.5413   46.866   9.6249   43.465   12.137   82.426   8.6168   78.866   11.356 3.560532 14.25519 
1 1 1  -31   12   42 o  110.642   6.3066   87.871   8.9206   96.521   11.276   73.400   14.584  118.618   7.0149  102.666   10.483 15.95246 12.61322 
1 1 1  -31   12   43 o   74.185   9.1903   39.774   7.8639   39.134   15.364   40.001   9.1539   72.319   16.092   76.050   8.8823 -3.730965 18.38053 
1 1 1  -31   12   44 o  117.377   7.0326   96.033   9.9154   95.509   19.020   96.228   11.619  116.429   12.055  118.324   7.2464 -1.894302 14.06512 
1 1 1  -31   12   45 o  148.418   5.1621  151.519   10.306  151.630   15.544  151.432   13.766  148.331   7.7329  148.506   6.8405 -0.1749725 10.32423 
1 1 1  -31   12   46 o   97.818   6.0083   66.132   7.8580   66.852   12.167   65.617   10.292   98.109   9.1517   97.528   7.7875 0.5816498 12.01666 
1 1 1  -31   12   47 o  123.380   5.4698  105.896   9.0336   98.920   13.610  111.390   12.078  119.515   8.4031  127.245   7.0045 -7.729980 10.93961 
1 1 1  -31   12   48 o   49.054   9.4338   17.686   6.3494   18.553   10.015   17.104   8.2105   49.966   14.149   48.141   12.481 1.825863 18.86761 
1 1 1  -31   12   49 o   84.371   8.4805   52.384   8.9765   55.938   11.374   46.515   14.617   89.521   9.3756   79.220   14.134 10.30123 16.96096 
1 1 1  -31   12   50 o  186.465   7.4144  240.240   18.735  240.240   18.735   0.0000   0.0000  186.465   7.4144  ?   ?       ?      ? 
1 1 1  -31   12   51 o  133.664   5.2917  124.226   9.5072  117.979   14.158  129.357   12.830  130.386   8.0129  136.943   6.9138 -6.557251 10.58331 
1 1 1  -31   12   52 o   77.499   7.8917   42.549   8.2267   41.474   10.935   43.952   12.488   76.572   10.538   78.426   11.750 -1.853630 15.78335 
1 1 1  -31   12   53 o   98.115   6.9685   66.849   9.1885   60.099   12.083   76.104   14.149   92.409   9.6491  103.821   10.057 -11.41269 13.93702 
1 1 1  -31   12   54 o  139.920   6.1933  137.981   11.492  141.839   14.938  132.388   17.988  142.838   7.7174  137.001   9.6887 5.837357 12.38666 
1 1 1  -31   12   55 o   72.927   8.5840   39.745   8.0696   44.334   10.767   33.865   12.189   79.078   10.048   66.776   13.921 12.30200 17.16805 
1 1 1  -31   12   56 o   48.645   10.022   18.250   7.1133   21.258   9.5552   14.511   10.654   52.809   13.346   44.481   14.955 8.327721 20.04422 
1 1 1  -31   12   57 o   79.759   9.6776   45.105   9.8932   68.853   15.967   30.306   12.604   97.248   12.116   62.270   15.094 34.97815 19.35512 
1 1 1  -31   12   58 o  111.106   8.1905   91.949   11.924   76.013   18.178  103.988   15.799  101.289   13.243  120.924   9.6412 -19.63589 16.38094 
1 1 1  -31   12   59 o   39.809   10.189   10.771   7.1289   12.989   9.9724   8.4532   10.195   42.164   14.467   37.453   14.351 4.711754 20.37734 
1 1 1  -31   12   60 o   21.197   10.300 -14.5678   9.3481   0.0000   0.0000 -14.5678   9.3481  ?   ?    21.197   10.300      ?      ? 
1 1 1  -31   12   62 o   39.031   15.790   8.0962   12.953   8.0962   12.953   0.0000   0.0000   39.031   15.790  ?   ?       ?      ? 
1 1 1  -31   12   63 o   54.648   16.776   24.686   13.615   24.686   13.615   0.0000   0.0000   54.648   16.776  ?   ?       ?      ? 
1 1 1  -31   12   64 o   43.171   11.048   13.847   8.3151   12.350   12.621   14.995   11.053   42.159   16.012   44.182   15.226 -2.023258 22.09574 
1 1 1  -31   12   65 o   73.860   10.135   42.990   9.7370   45.363   14.576   41.079   13.085   75.392   14.795   72.328   13.854 3.063362 20.26921 
1 1 1  -31   12   66 o   48.870   10.970   17.532   8.6621   30.081   13.324   8.3467   11.400   60.109   16.054   37.631   14.953 22.47847 21.93919 
1 1 1  -31   12   67 o   37.071   10.534   5.2414   8.3639   15.286   13.018  -1.8204   10.915   44.616   16.398   29.526   13.226 15.08939 21.06717 
1 1 1  -31   12   68 o   70.939   10.684   43.119   10.227   26.212   15.316   56.722   13.738   54.829   17.914   87.049   11.646 -32.21955 21.36740 
1 1 1  -31   12   69 o   40.127   11.002   10.858   8.7694   5.5818   13.490   14.720   11.541   36.840   15.608   43.415   15.511 -6.574619 22.00433 
1 1 1  -31   12   70 o   55.746   15.677   26.265   12.339   0.0000   0.0000   26.265   12.339  ?   ?    55.746   15.677      ?      ? 
1 1 1  -31   12   71 o   28.165   12.778  -2.8594   10.569   0.0000   0.0000  -2.8594   10.569  ?   ?    28.165   12.778      ?      ? 
1 1 1  -31   12   72 o   55.386   16.175   26.692   12.898   0.0000   0.0000   26.692   12.898  ?   ?    55.386   16.175      ?      ? 
1 1 1  -31   12   73 o   70.755   15.016   42.043   13.952   0.0000   0.0000   42.043   13.952  ?   ?    70.755   15.016      ?      ? 
1 1 1  -31   12   74 o   42.536   15.975   14.701   12.481   0.0000   0.0000   14.701   12.481  ?   ?    42.536   15.975      ?      ? 
1 1 1  -31   13    1 f   90.023   10.642   56.337   12.983   56.337   12.983   0.0000   0.0000   90.023   10.642  ?   ?       ?      ? 
1 1 1  -31   13    2 f  123.522   4.5641  104.839   7.2244  105.890   8.9025  102.812   12.363  124.623   5.2714  122.421   7.4523 2.202621 9.128242 
1 1 1  -31   13    3 o   96.842   4.8020   62.596   6.1287   57.811   7.6921   70.915   10.142   91.984   6.1709  101.699   7.3590 -9.714691 9.603936 
1 1 1  -31   13    4 o   40.512   7.4832   11.649   4.3477   6.7815   6.0812   16.738   6.2184   32.657   11.292   48.366   9.8228 -15.70944 14.96635 
1 1 1  -31   13    5 o   61.756   6.5326   27.159   5.2221   31.034   7.1076   22.614   7.6981   67.244   7.7999   56.268   10.481 10.97560 13.06517 
1 1 1  -31   13    6 o   82.754   5.4922   47.016   6.0906   47.182   8.0470   46.793   9.3192   83.003   7.1541   82.504   8.3353 0.4992599 10.98449 
1 1 1  -31   13    7 o  113.997   6.1528   88.742   9.5050   88.742   9.5050   0.0000   0.0000  113.997   6.1528  ?   ?       ?      ? 
1 1 1  -31   13    8 o  146.104   5.1892  154.305   9.6235  176.701   12.271  118.517   15.511  160.969   5.6253  131.239   8.7217 29.73027 10.37841 
1 1 1  -31   13    9 o  179.919   4.8912  221.611   11.328  221.959   13.995  220.951   19.289  180.395   5.7250  179.442   7.9322 0.9530334 9.782398 
1 1 1  -31   13   10 f   85.507   5.6963   49.830   6.5761   45.951   8.8531   54.604   9.8221   81.831   7.9835   89.182   8.1273 -7.351677 11.39251 
1 1 1  -31   13   11 o  151.870   4.9769  159.090   9.8592  162.729   12.449  152.967   16.148  154.430   5.9486  149.310   7.9808 5.120392 9.953863 
1 1 1  -31   13   12 o  188.700   4.9843  244.182   12.135  245.448   15.046  241.825   20.526  189.687   5.8533  187.714   8.0691 1.973099 9.968567 
1 1 1  -31   13   13 o  228.004   6.3629  354.705   19.487  380.912   29.987  335.548   25.638  235.061   9.4139  220.947   8.5629 14.11333 12.72575 
1 1 1  -31   13   14 o  144.744   7.1546  139.373   12.986  159.284   23.971  131.101   15.450  151.308   11.691  138.180   8.2511 13.12794 14.30911 
1 1 1  -31   13   15 o   33.980   8.1725   4.6362   5.2711   14.160   7.7656  -3.5004   7.1778   44.396   12.420   23.563   10.625 20.83289 16.34509 
1 1 1  -31   13   16 f   44.166   8.3297   14.296   5.3349   8.1008   7.9328   19.412   7.2084   36.271   12.870   52.062   10.578 -15.79106 16.65937 
1 1 1  -31   13   17 o  131.146   5.9395  119.008   10.346  148.966   14.860   90.825   14.414  147.477   7.4358  114.815   9.2639 32.66169 11.87899 
1 1 1  -31   13   18 o  240.700   5.6710  393.780   18.188  377.955   23.457  417.636   28.800  234.928   7.3680  246.471   8.6228 -11.54338 11.34200 
1 1 1  -31   13   19 o  178.862   7.3790  219.100   17.885  219.100   17.885   0.0000   0.0000  178.862   7.3790  ?   ?       ?      ? 
1 1 1  -31   13   20 o  156.117   5.6285  167.065   11.881  164.926   16.228  169.537   17.444  155.098   7.7210  157.136   8.1918 -2.037491 11.25694 
1 1 1  -31   13   21 o   87.448   6.7462   52.727   7.9746   53.223   11.721   52.300   10.882   87.778   9.8533   87.118   9.2174 0.6598358 13.49246 
1 1 1  -31   13   22 o  168.427   5.6586  196.908   12.763  217.231   17.419  173.352   18.753  178.118   7.2165  158.736   8.7180 19.38268 11.31730 
1 1 1  -31   13   23 o  156.303   5.6223  168.152   11.848  173.089   16.110  162.336   17.484  158.923   7.4805  153.682   8.3953 5.241196 11.24454 
1 1 1  -31   13   24 o  113.858   6.0472   89.161   9.3297   87.619   13.146   90.727   13.243  112.857   8.5955  114.859   8.5084 -2.001678 12.09444 
1 1 1  -31   13   25 o   82.195   7.0377   47.181   7.7253   43.558   11.688   49.992   10.295   79.200   10.890   85.189   8.9176 -5.989311 14.07534 
1 1 1  -31   13   26 o   53.999   8.6065   21.207   6.1524   23.056   8.5775   19.249   8.8296   56.565   11.580   51.432   12.736 5.132652 17.21305 
1 1 1  -31   13   27 o   44.860   8.7555   15.073   6.3149   2.1450   10.216   23.069   8.0336   32.972   13.751   56.747   10.842 -23.77431 17.51107 
1 1 1  -31   13   28 o   87.891   7.0090   53.109   8.2651   64.429   12.204   43.517   11.233   96.592   9.3234   79.190   10.468 17.40205 14.01795 
1 1 1  -31   13   29 o  118.308   5.4015   94.402   8.4403   89.011   10.666  103.436   13.806  114.007   6.9034  122.608   8.3094 -8.600327 10.80295 
1 1 1  -31   13   30 o   91.101   6.2028   58.092   7.4678   61.836   9.7490   52.775   11.617   94.908   7.5801   87.294   9.8204 7.613579 12.40554 
1 1 1  -31   13   31 o   93.030   6.1363   60.345   7.5481   63.094   9.8022   56.340   11.831   95.860   7.5458   90.201   9.6788 5.658821 12.27268 
1 1 1  -31   13   32 o   95.456   6.0453   63.075   7.6671   64.174   9.9651   61.481   12.003   96.650   7.6085   94.262   9.3965 2.388550 12.09063 
1 1 1  -31   13   33 o  103.509   7.2329   73.532   10.146   73.532   10.146   0.0000   0.0000  103.509   7.2329  ?   ?       ?      ? 
1 1 1  -31   13   34 o  140.849   6.3722  135.801   12.163  135.801   12.163   0.0000   0.0000  140.849   6.3722  ?   ?       ?      ? 
1 1 1  -31   13   35 o  141.613   5.8816  138.690   11.236  142.709   15.318  134.010   16.530  143.976   7.8511  139.250   8.7599 4.726563 11.76329 
1 1 1  -31   13   36 o   46.089   9.1256   15.825   6.1484   20.180   8.1152   9.9575   9.4203   52.652   11.679   39.525   14.025 13.12725 18.25110 
1 1 1  -31   13   37 o   91.507   6.0725   55.529   7.3747   45.176   9.3906   72.188   11.912   80.836   8.5725  102.177   8.6032 -21.34100 12.14505 
1 1 1  -31   13   38 o   83.419   6.6065   48.225   7.3472   47.763   9.5537   48.895   11.494   83.109   8.4829   83.729   10.130 -0.6201859 13.21301 
1 1 1  -31   13   39 o  133.089   5.5643  124.135   9.5967  129.382   12.091  115.204   15.776  137.331   6.4971  128.848   9.0351 8.482208 11.12853 
1 1 1  -31   13   40 o  119.141   5.5526   93.633   8.7075   80.766   10.849  116.928   14.598  108.276   7.3939  130.007   8.2858 -21.73089 11.10513 
1 1 1  -31   13   41 o   84.692   6.5335   49.666   7.3667   48.594   9.5236   51.263   11.623   83.756   8.3908   85.628   10.017 -1.871918 13.06691 
1 1 1  -31   13   42 o  100.498   6.8390   70.852   9.2278   82.170   13.114   59.750   12.987  108.715   8.9014   92.282   10.385 16.43290 13.67808 
1 1 1  -31   13   43 f  138.456   5.8716  139.050   10.344  155.340   13.104  112.110   16.851  150.354   6.4313  126.558   9.8255 23.79516 11.74317 
1 1 1  -31   13   44 o  142.584   5.4356  133.098   10.068  116.057   12.300  167.694   17.526  129.751   6.9955  155.417   8.3213 -25.66608 10.87113 
1 1 1  -31   13   45 o  107.666   5.9812   78.659   8.4711   72.934   10.608   88.735   14.074  102.651   7.6258  112.681   9.2166 -10.02916 11.96243 
1 1 1  -31   13   46 o   80.103   7.3032   45.050   7.9084   42.051   10.743   48.598   11.685   77.226   10.265   82.981   10.391 -5.754677 14.60645 
1 1 1  -31   13   47 o   32.484   9.2696   3.2039   6.6067   8.1846   9.0357  -2.5178   9.6846   36.743   13.633   28.225   12.563 8.518787 18.53921 
1 1 1  -31   13   48 o   31.550   13.013   3.0817   9.0062   3.0817   9.0062   0.0000   0.0000   31.550   13.013  ?   ?       ?      ? 
1 1 1  -31   13   49 o   46.456   9.9031   16.212   7.0039   20.974   9.5407   10.647   10.314   52.642   13.354   40.271   14.628 12.37111 19.80611 
1 1 1  -31   13   50 o   81.594   7.6453   48.309   8.2788   53.363   11.086   41.936   12.449   87.006   9.4022   76.182   12.058 10.82362 15.29067 
1 1 1  -31   13   51 o   71.663   8.9972   40.690   8.1124   55.198   11.007   23.434   12.003   88.496   9.1779   54.831   15.478 33.66552 17.99434 
1 1 1  -31   13   52 o  149.039   5.9572  149.216   11.768  123.251   14.899  192.283   19.187  132.615   8.2902  165.462   8.5572 -32.84685 11.91443 
1 1 1  -31   13   53 o   48.622   10.149   17.955   7.1955   14.616   9.7986   21.864   10.601   44.185   14.323   53.059   14.383 -8.874084 20.29802 
1 1 1  -31   13   54 o   39.770   9.3875   9.6506   6.9397   19.596   9.5251  -1.6009   10.131   50.388   13.623   29.152   12.919 21.23571 18.77493 
1 1 1  -31   13   55 o   79.378   7.8222   45.785   8.3320   46.746   11.130   44.561   12.566   80.725   10.175   78.032   11.884 2.693558 15.64431 
1 1 1  -31   13   56 o  101.647   10.307   74.394   14.197   0.0000   0.0000   74.394   14.197  ?   ?   101.647   10.307      ?      ? 
1 1 1  -31   13   57 o   91.994   9.7817   67.471   11.047   53.072   17.758   76.562   14.110   80.856   16.757  103.131   10.096 -22.27498 19.56347 
1 1 1  -31   13   58 o   84.665   9.2517   55.264   10.029   48.746   15.473   59.986   13.171   78.476   15.098   90.853   10.698 -12.37679 18.50342 
1 1 1  -31   13   59 o   50.421   10.871   20.743   8.2319   16.348   12.843   23.807   10.724   46.132   16.375   54.710   14.304 -8.578571 21.74286 
1 1 1  -31   13   60 o   43.553   10.995   13.339   8.2180   19.522   12.783   8.9834   10.729   49.193   16.380   37.913   14.671 11.27974 21.98937 
1 1 1  -31   13   61 o   76.584   14.983   46.913   14.993   46.913   14.993   0.0000   0.0000   76.584   14.983  ?   ?       ?      ? 
1 1 1  -31   13   62 o   28.223   13.170  -7.9997   12.393  -7.9997   12.393   0.0000   0.0000   28.223   13.170  ?   ?       ?      ? 
1 1 1  -31   13   63 o   57.681   11.237   26.595   9.1915   37.354   14.249   18.928   12.029   67.165   15.902   48.198   15.882 18.96714 22.47440 
1 1 1  -31   13   64 o   77.485   10.163   47.497   10.354   47.988   15.674   47.117   13.793   76.462   15.654   78.508   12.964 -2.046486 20.32530 
1 1 1  -31   13   65 f   77.070   10.193   47.838   10.285   42.193   15.246   52.553   13.933   70.921   16.217   83.218   12.355 -12.29726 20.38700 
1 1 1  -31   13   66 o   52.700   10.119   21.060   9.5381  -1.8988   13.731   42.467   13.259   32.519   14.677   72.881   13.933 -40.36232 20.23708 
1 1 1  -31   13   67 o   73.314   11.391   44.354   10.960   55.405   16.901   36.333   14.398   81.473   15.879   65.156   16.337 16.31712 22.78248 
1 1 1  -31   13   68 o   80.305   14.482   52.498   15.180   0.0000   0.0000   52.498   15.180  ?   ?    80.305   14.482      ?      ? 
1 1 1  -31   13   71 o   42.192   16.087   14.307   12.771   0.0000   0.0000   14.307   12.771  ?   ?    42.192   16.087      ?      ? 
1 1 1  -31   13   72 o   19.043   9.5323 -25.1022   10.386   0.0000   0.0000 -25.1022   10.386  ?   ?    19.043   9.5323      ?      ? 
1 1 1  -31   13   73 o   34.482   14.812   5.3653   12.451   0.0000   0.0000   5.3653   12.451  ?   ?    34.482   14.812      ?      ? 
1 1 1  -31   14    1 o   89.954   4.7281   55.205   5.5187   54.298   6.8531   56.877   9.3081   89.081   5.6771   90.828   7.5623 -1.747704 9.456112 
1 1 1  -31   14    2 o   83.593   4.7925   44.375   5.2197   34.040   6.4294   64.357   8.9396   70.401   6.7393   96.786   6.8159 -26.38549 9.585081 
1 1 1  -31   14    3 o   89.841   6.0038   55.983   7.2784   54.205   10.694   57.518   9.9344   88.411   8.9258   91.272   8.0319 -2.861549 12.00753 
1 1 1  -31   14    4 o  143.521   4.7245  139.168   8.6786  134.844   10.577  148.076   15.181  140.445   5.5576  146.597   7.6418 -6.152252 9.449071 
1 1 1  -31   14    5 f  101.700   5.1369   71.199   6.8382   71.391   8.6316   70.874   11.206  102.083   6.2396  101.318   8.1619 0.7647858 10.27372 
1 1 1  -31   14    6 o   92.745   6.5545   58.985   8.2379   58.985   8.2379   0.0000   0.0000   92.745   6.5545  ?   ?       ?      ? 
1 1 1  -31   14    7 o  140.231   5.0549  140.242   9.0401  152.975   11.364  118.294   14.920  149.607   5.6051  130.855   8.4137 18.75247 10.10972 
1 1 1  -31   14    8 o  144.335   4.7794  138.568   8.9966  127.950   11.113  158.756   15.324  136.747   5.9971  151.922   7.4434 -15.17548 9.558796 
1 1 1  -31   14    9 o   81.333   7.1057   45.549   7.5321   47.879   12.624   44.261   9.3858   82.651   11.271   80.015   8.6560 2.636230 14.21140 
1 1 1  -31   14   10 o   69.054   6.2178   32.755   5.7468   26.225   7.8052   40.486   8.4927   61.494   9.3664   76.614   8.1800 -15.12088 12.43550 
1 1 1  -31   14   11 o  114.308   5.3223   92.493   7.9051  101.146   10.158   79.208   12.587  121.565   6.1664  107.052   8.6766 14.51318 10.64460 
1 1 1  -31   14   12 o  113.682   5.1033   86.091   7.6858   76.901   9.7084  101.523   12.580  105.894   6.7654  121.470   7.6423 -15.57619 10.20662 
1 1 1  -31   14   13 o   86.070   6.4444   51.340   7.4907   50.710   11.019   51.881   10.214   85.497   9.5105   86.644   8.6990 -1.146255 12.88880 
1 1 1  -31   14   14 o  131.072   5.0894  116.901   8.7427  113.812   10.978  122.257   14.456  128.937   6.2828  133.208   8.0083 -4.270889 10.17877 
1 1 1  -31   14   15 o  130.581   5.3372  122.256   8.9342  136.781   11.401   99.146   14.381  141.426   5.9490  119.737   8.8629 21.68899 10.67435 
1 1 1  -31   14   16 o  138.322   4.9308  127.070   8.9238  116.201   11.060  147.346   15.106  130.288   6.2642  146.356   7.6166 -16.06815 9.861650 
1 1 1  -31   14   17 o  128.720   5.0525  112.598   8.5592  109.010   10.803  118.649   14.028  126.179   6.3181  131.260   7.8863 -5.080711 10.10505 
1 1 1  -31   14   18 o  101.621   6.9096   70.852   9.5152   70.852   9.5152   0.0000   0.0000  101.621   6.9096  ?   ?       ?      ? 
1 1 1  -31   14   19 o  130.904   5.1191  116.512   8.7924  113.034   11.051  122.513   14.515  128.476   6.3472  133.331   8.0333 -4.855392 10.23820 
1 1 1  -31   14   20 o  121.729   5.2212   99.514   8.3820   92.324   10.539  111.892   13.827  116.037   6.7024  127.422   8.0077 -11.38484 10.44249 
1 1 1  -31   14   21 o   74.969   6.3659   37.980   6.3870   31.560   8.3520   47.024   9.9123   67.497   9.1311   82.441   8.8726 -14.94354 12.73179 
1 1 1  -31   14   22 o   90.027   5.8462   54.496   7.0221   48.091   9.0151   64.378   11.197   83.532   7.9641   96.521   8.5607 -12.98924 11.69239 
1 1 1  -31   14   23 o  154.128   5.2287  165.324   10.410  170.235   13.015  156.603   17.343  157.708   6.0899  150.547   8.5012 7.161972 10.45741 
1 1 1  -31   14   24 o  136.907   5.0947  118.758   9.0464   95.056   11.019  167.765   15.844  117.669   6.9104  156.145   7.4880 -38.47635 10.18937 
1 1 1  -31   14   25 o   90.378   5.8862   55.185   7.0913   50.001   9.0905   63.244   11.334   85.165   7.8767   95.591   8.7492 -10.42543 11.77242 
1 1 1  -31   14   26 o  112.349   6.1146   87.500   9.2915   92.219   13.017   82.598   13.266  115.531   8.3147  109.166   8.9677 6.364746 12.22923 
1 1 1  -31   14   27 f  142.162   5.7076  138.575   10.957  127.789   14.771  151.772   16.338  136.073   8.0105  148.252   8.1324 -12.17874 11.41513 
1 1 1  -31   14   28 o  101.561   5.5854   68.484   7.4832   60.201   9.3676   83.090   12.440   93.510   7.3925  109.612   8.3749 -16.10203 11.17088 
1 1 1  -31   14   29 o   90.870   5.9033   56.164   7.1348   52.440   9.1276   62.014   11.440   87.196   7.7246   94.543   8.9289 -7.347061 11.80660 
1 1 1  -31   14   30 o   82.686   6.3167   46.335   6.9787   40.989   8.9965   54.412   11.058   76.905   8.6325   88.467   9.2239 -11.56159 12.63333 
1 1 1  -31   14   31 o   80.914   6.2752   44.019   6.7699   37.037   8.6995   54.739   10.780   73.055   8.7874   88.773   8.9608 -15.71740 12.55050 
1 1 1  -31   14   32 o   61.540   10.025   26.487   8.3607   26.487   8.3607   0.0000   0.0000   61.540   10.025  ?   ?       ?      ? 
1 1 1  -31   14   33 f   52.853   8.7545   21.123   6.1757   24.496   8.1803   16.653   9.4173   58.198   10.769   47.509   13.805 10.68827 17.50894 
1 1 1  -31   14   34 o   97.855   6.1551   67.996   7.8439   72.722   10.035   60.577   12.575  102.704   7.2105   93.007   9.9775 9.696678 12.31021 
1 1 1  -31   14   35 o  142.589   5.2683  132.904   9.6924  117.673   11.755  165.241   17.129  130.793   6.6324  154.386   8.1872 -23.59267 10.53660 
1 1 1  -31   14   36 o   83.604   6.5541   48.194   7.2122   46.314   9.0962   51.378   11.835   81.702   8.2157   85.507   10.214 -3.805527 13.10825 
1 1 1  -31   14   37 o   97.524   5.9351   63.811   7.6359   56.753   9.5664   76.204   12.676   90.518   7.7989  104.530   8.9486 -14.01144 11.87011 
1 1 1  -31   14   38 o  106.057   5.9277   79.413   8.1963   83.057   10.423   73.509   13.267  109.704   7.0114  102.409   9.5598 7.295387 11.85533 
1 1 1  -31   14   39 o   72.066   7.5550   36.752   7.3712   36.741   10.209   36.763   10.655   72.123   10.445   72.009   10.919 0.1142883 15.10996 
1 1 1  -31   14   40 o   57.513   9.2060   24.766   7.0078   24.687   9.9163   24.844   9.9049   57.412   13.042   57.613   12.996 -0.2007599 18.41205 
1 1 1  -31   14   41 o   56.044   10.817   23.276   8.1955   27.945   13.684   20.665   10.234   59.902   16.385   52.186   14.126 7.715778 21.63314 
1 1 1  -31   14   42 o   83.618   7.0662   48.550   7.8827   38.051   10.489   62.175   11.949   73.202   10.574   94.034   9.3769 -20.83171 14.13248 
1 1 1  -31   14   43 o   49.426   9.5208   18.307   6.9571   26.515   9.8385   10.097   9.8392   59.529   12.589   39.322   14.286 20.20738 19.04163 
1 1 1  -31   14   44 o  112.229   6.2998   88.564   9.4995   89.297   12.679   87.626   14.344  113.029   8.2775  111.428   9.4991 1.601860 12.59959 
1 1 1  -31   14   45 o  112.427   6.4675   90.000   9.6960   95.685   12.904   82.628   14.694  116.998   8.1388  107.856   10.054 9.142395 12.93510 
1 1 1  -31   14   46 o  119.260   8.4285   99.766   13.622   99.766   13.622   0.0000   0.0000  119.260   8.4285  ?   ?       ?      ? 
1 1 1  -31   14   47 o   74.883   10.456   40.133   10.610   40.133   10.610   0.0000   0.0000   74.883   10.456  ?   ?       ?      ? 
1 1 1  -31   14   48 o   44.112   10.008   14.535   6.8692   17.571   9.6893   11.468   9.7400   47.797   14.036   40.426   14.270 7.371468 20.01611 
1 1 1  -31   14   49 o  139.213   9.2926  137.594   17.531   0.0000   0.0000  137.594   17.531  ?   ?   139.213   9.2926      ?      ? 
1 1 1  -31   14   50 o  137.516   6.0012  131.274   11.023  121.435   14.231  146.030   17.428  131.491   7.9864  143.540   8.9597 -12.04906 12.00242 
1 1 1  -31   14   51 o   37.986   10.106   8.8689   7.4831   0.9712   12.167   13.674   9.4901   33.293   14.472   42.678   14.109 -9.385216 20.21151 
1 1 1  -31   14   52 o   87.696   8.3090   56.831   9.6230   54.808   15.199   58.185   12.432   85.548   13.111   89.844   10.211 -4.295944 16.61807 
1 1 1  -31   14   53 o   53.831   9.9595   24.451   8.0352   10.759   12.767   33.432   10.340   41.092   15.975   66.571   11.898 -25.47895 19.91895 
1 1 1  -31   14   54 o   65.405   10.076   36.346   8.8253   21.347   14.104   45.999   11.314   51.216   17.207   79.594   10.489 -28.37825 20.15206 
1 1 1  -31   14   55 o   50.992   14.196   20.678   10.170   0.0000   0.0000   20.678   10.170  ?   ?    50.992   14.196      ?      ? 
1 1 1  -31   14   56 o   57.608   10.486   28.453   8.6125   17.176   13.789   35.666   11.028   46.932   16.934   68.283   12.374 -21.35033 20.97265 
1 1 1  -31   14   57 o   80.381   9.7640   50.559   10.172   47.453   15.632   52.841   13.397   76.461   15.614   84.300   11.728 -7.838783 19.52799 
1 1 1  -31   14   58 o  103.807   9.1197   85.132   11.717   57.556   17.033  109.904   16.144   84.375   15.467  123.238   9.6667 -38.86218 18.23937 
1 1 1  -31   14   59 o   58.026   10.962   29.086   9.4073   16.542   14.332   38.580   12.469   46.115   17.158   69.938   13.647 -23.82300 21.92351 
1 1 1  -31   14   60 o   66.824   16.417   37.632   14.760   37.632   14.760   0.0000   0.0000   66.824   16.417  ?   ?       ?      ? 
1 1 1  -31   14   61 o   50.443   11.331   19.991   9.0336   30.629   13.775   11.964   11.966   59.952   16.456   40.934   15.580 19.01854 22.66123 
1 1 1  -31   14   62 o   39.991   10.872   10.274   8.3551   16.300   12.775   5.7699   11.045   45.147   16.298   34.836   14.393 10.31116 21.74348 
1 1 1  -31   14   63 o   41.028   11.010   12.355   8.4715   10.391   12.645   13.954   11.411   39.661   15.752   42.396   15.387 -2.734650 22.02052 
1 1 1  -31   14   64 f   46.899   11.178   18.574   8.7194   12.610   13.448   22.900   11.453   41.719   16.346   52.078   15.251 -10.35969 22.35588 
1 1 1  -31   14   65 o   38.990   10.788   10.419   8.4255   6.4553   12.588   13.635   11.340   36.252   15.203   41.727   15.310 -5.474850 21.57582 
1 1 1  -31   14   66 o   43.962   11.283   15.819   8.8979   11.001   13.102   19.943   12.122   39.853   15.966   48.070   15.949 -8.217503 22.56689 
1 1 1  -31   14   67 o   70.646   14.679   41.869   13.594   0.0000   0.0000   41.869   13.594  ?   ?    70.646   14.679      ?      ? 
1 1 1  -31   14   68 o   46.349   16.297   18.931   12.692   0.0000   0.0000   18.931   12.692  ?   ?    46.349   16.297      ?      ? 
1 1 1  -31   14   69 o   46.682   16.490   19.663   13.009   0.0000   0.0000   19.663   13.009  ?   ?    46.682   16.490      ?      ? 
1 1 1  -31   14   70 o   26.578   12.495  -6.8545   11.511   0.0000   0.0000  -6.8545   11.511  ?   ?    26.578   12.495      ?      ? 
1 1 1  -31   14   71 o   55.819   17.080   30.192   14.126   0.0000   0.0000   30.192   14.126  ?   ?    55.819   17.080      ?      ? 
1 1 1  -31   15    1 o   32.862   7.4810   7.3115   3.7408   6.1836   4.8468   8.9731   5.8831   30.247   10.087   35.477   11.050 -5.230032 14.96192 
1 1 1  -31   15    2 o   65.253   7.0896   29.599   6.2250   34.482   9.4518   25.860   8.2725   69.953   9.9707   60.553   10.081 9.399742 14.17912 
1 1 1  -31   15    3 o   49.713   7.4106   18.697   4.8129   21.931   6.2071   13.821   7.6215   56.159   8.1562   43.266   12.375 12.89232 14.82115 
1 1 1  -31   15    4 o   29.763   8.0615   4.2824   4.6288   2.0087   6.4647   6.6742   6.6307   26.835   11.042   32.690   11.749 -5.854658 16.12291 
1 1 1  -31   15    5 o   32.650   12.756   5.1901   8.1714   5.1901   8.1714   0.0000   0.0000   32.650   12.756  ?   ?       ?      ? 
1 1 1  -31   15    6 o   67.432   5.9717   31.193   5.3835   29.070   6.9715   34.328   8.4730   64.732   7.9474   70.133   8.9153 -5.400497 11.94335 
1 1 1  -31   15    7 o   52.771   7.4647   20.162   5.0980   19.557   6.6845   21.004   7.8817   52.014   9.8439   53.528   11.224 -1.513397 14.92945 
1 1 1  -31   15    8 o   72.055   6.1156   37.046   5.7832   40.895   7.5728   31.662   8.9578   76.943   7.2628   67.167   9.8415 9.775757 12.23128 
1 1 1  -31   15    9 o  100.260   5.4000   71.259   7.0145   76.272   8.9155   63.115   11.364  105.349   6.2450   95.172   8.8114 10.17701 10.80008 
1 1 1  -31   15   10 o   87.364   5.5489   52.092   6.4756   48.538   8.3671   57.401   10.226   83.817   7.3665   90.912   8.3003 -7.094711 11.09771 
1 1 1  -31   15   11 o  116.181   5.2686   94.845   7.9174   99.001   9.9586   87.706   13.053  120.069   6.1205  112.294   8.5775 7.775848 10.53725 
1 1 1  -31   15   12 o  100.457   6.1749   70.128   8.3532   81.190   12.104   60.067   11.543  108.151   8.2587   92.763   9.1821 15.38775 12.34983 
1 1 1  -31   15   13 o  143.053   4.9628  135.905   9.2054  124.409   11.274  158.902   15.945  134.588   6.1813  151.518   7.7658 -16.92934 9.925561 
1 1 1  -31   15   14 o  121.201   5.3444  102.864   8.3854  106.308   10.526   96.880   13.873  124.398   6.2439  118.004   8.6755 6.393730 10.68881 
1 1 1  -31   15   15 o  108.451   5.4044   81.888   7.6709   83.545   9.7294   79.166   12.470  110.213   6.5144  106.690   8.6253 3.522438 10.80887 
1 1 1  -31   15   16 o  111.923   5.2953   83.686   7.8263   74.615   9.8237   99.445   12.949  104.045   6.9674  119.800   7.9760 -15.75545 10.59068 
1 1 1  -31   15   17 o  129.036   6.3537  114.439   11.110  114.439   11.110   0.0000   0.0000  129.036   6.3537  ?   ?       ?      ? 
1 1 1  -31   15   18 o  136.753   5.1995  126.934   9.2752  121.268   11.528  137.336   15.619  132.813   6.4052  140.693   8.1921 -7.880829 10.39891 
1 1 1  -31   15   19 o   95.211   5.8642   62.949   7.4153   63.004   9.5898   62.867   11.694   95.493   7.4106   94.928   9.0906 0.5648651 11.72843 
1 1 1  -31   15   20 o  120.063   5.5776  102.392   8.6169  109.057   10.848   90.999   14.184  125.953   6.3558  114.172   9.1675 11.78110 11.15525 
1 1 1  -31   15   21 o   97.200   6.0063   67.042   7.5681   70.965   9.5926   60.573   12.317  101.448   6.9777   92.951   9.7783 8.496513 12.01262 
1 1 1  -31   15   22 o   97.920   5.7310   65.284   7.3960   61.456   9.3114   71.826   12.174   94.325   7.2846  101.515   8.8495 -7.189178 11.46209 
1 1 1  -31   15   23 o   68.127   6.8668   32.546   6.2383   32.562   8.1403   32.523   9.7106   68.355   8.7880   67.899   10.554 0.4561310 13.73353 
1 1 1  -31   15   24 o   55.613   7.7214   21.791   5.6799   17.503   7.5104   27.521   8.6815   48.708   11.553   62.517   10.247 -13.80896 15.44287 
1 1 1  -31   15   25 o   48.161   9.5807   17.418   6.5524   15.119   9.6743   19.366   8.9062   45.392   14.176   50.930   12.892 -5.538525 19.16148 
1 1 1  -31   15   26 o   46.520   8.7738   16.478   5.7832   20.349   7.6603   11.348   8.8188   52.682   11.081   40.359   13.606 12.32386 17.54758 
1 1 1  -31   15   27 o   21.086   6.9098  -6.0864   4.8047  -9.9593   6.8318  -2.2963   6.7584   18.770   9.0432   23.401   10.450 -4.631432 13.81959 
1 1 1  -31   15   28 o   45.717   9.3647   15.410   6.2058   18.723   8.9228   12.307   8.6369   49.995   13.036   41.438   13.448 8.557377 18.72937 
1 1 1  -31   15   29 o   61.115   8.3940   27.484   6.6978   26.621   9.2876   28.419   9.6682   60.110   11.823   62.120   11.918 -2.010288 16.78791 
1 1 1  -31   15   30 o   25.322   11.321  -2.6137   7.9563  -2.6137   7.9563   0.0000   0.0000   25.322   11.321  ?   ?       ?      ? 
1 1 1  -31   15   31 o   39.081   13.278   10.607   8.3989   10.607   8.3989   0.0000   0.0000   39.081   13.278  ?   ?       ?      ? 
1 1 1  -31   15   32 o   74.913   7.7249   41.228   7.4563   47.201   10.096   34.061   11.060   82.033   9.0818   67.794   12.499 14.23908 15.44987 
1 1 1  -31   15   33 o   86.786   6.7353   52.853   7.8843   51.072   10.582   55.076   11.821   85.273   9.1571   88.298   9.8794 -3.024521 13.47052 
1 1 1  -31   15   34 o  119.739   5.9477   97.531   9.5154   83.936   12.280  117.955   15.052  109.642   8.2652  129.837   8.5550 -20.19584 11.89546 
1 1 1  -31   15   35 o   47.871   9.4648   16.884   6.5634   11.382   8.9357   23.331   9.6722   40.196   13.695   55.546   13.068 -15.35030 18.92963 
1 1 1  -31   15   36 o   52.877   9.4479   21.550   6.9108   26.696   9.5280   15.839   10.039   59.809   12.170   45.946   14.455 13.86343 18.89590 
1 1 1  -31   15   37 o   60.846   8.7687   27.107   7.1062   21.433   9.6171   33.931   10.546   53.019   13.384   68.674   11.333 -15.65456 17.53731 
1 1 1  -31   15   38 o   72.341   8.0034   36.980   7.3908   25.102   9.6609   53.742   11.476   57.637   12.711   87.044   9.7293 -29.40771 16.00682 
1 1 1  -31   15   39 o   37.332   10.424   7.1696   7.5070   8.8383   12.651   6.2626   9.3265   40.000   15.797   34.664   13.604 5.335869 20.84720 
1 1 1  -31   15   40 o   54.672   9.3187   22.852   6.7990   22.761   9.1621   22.965   10.143   54.763   12.607   54.582   13.727 0.1804123 18.63748 
1 1 1  -31   15   41 o   39.933   9.6664   11.369   6.4132   14.001   8.6931   8.2258   9.4999   43.143   13.432   36.722   13.905 6.420631 19.33287 
1 1 1  -31   15   42 o   34.677   9.1887   5.7961   6.4230   12.885   8.8815  -1.9764   9.2999   41.690   13.643   27.664   12.313 14.02541 18.37744 
1 1 1  -31   15   43 o   54.364   9.0448   23.381   7.2054   34.442   9.7812   10.255   10.655   69.185   10.433   39.543   14.778 29.64157 18.08954 
1 1 1  -31   15   44 f   55.619   10.202   22.148   8.3742   40.033   13.133   9.8941   10.871   71.974   13.969   39.265   14.873 32.70901 20.40426 
1 1 1  -31   15   45 o   46.737   15.992   16.786   12.185   16.786   12.185   0.0000   0.0000   46.737   15.992  ?   ?       ?      ? 
1 1 1  -31   15   46 o   31.268   9.3020   2.1166   6.9362  -4.3155   11.038   6.3138   8.9165   28.564   12.998   33.972   13.310 -5.407442 18.60403 
1 1 1  -31   15   47 o   49.411   10.665   18.207   7.8071   26.298   12.455   12.970   10.020   56.975   15.651   41.847   14.493 15.12774 21.33077 
1 1 1  -31   15   48 o   73.542   9.6425   43.185   9.0608   33.525   13.991   50.163   11.892   63.998   16.136   83.087   10.561 -19.08871 19.28502 
1 1 1  -31   15   49 o   72.682   9.5413   40.079   8.9856   43.192   14.453   38.118   11.472   73.611   14.998   71.753   11.798 1.857925 19.08261 
1 1 1  -31   15   50 f   40.565   10.694   10.306   7.6073   16.534   12.973   7.0417   9.3914   46.186   16.451   34.945   13.669 11.24060 21.38851 
1 1 1  -31   15   51 o   58.821   10.612   27.997   8.2898   27.981   13.739   28.006   10.396   57.801   16.640   59.842   13.176 -2.041100 21.22460 
1 1 1  -31   15   52 o   36.007   10.030   7.1948   7.5239  -0.4664   12.479   11.570   9.4308   32.315   14.329   39.699   14.039 -7.384357 20.05961 
1 1 1  -31   15   53 o   73.463   11.941   40.386   11.887   0.0000   0.0000   40.386   11.887  ?   ?    73.463   11.941      ?      ? 
1 1 1  -31   15   54 o   50.877   10.402   21.837   8.4354   9.0491   13.166   30.743   10.987   39.353   15.920   62.402   13.393 -23.04862 20.80435 
1 1 1  -31   15   55 o   59.817   11.140   29.959   9.0995   28.982   14.100   30.656   11.912   58.164   16.890   61.470   14.530 -3.306652 22.27981 
1 1 1  -31   15   56 f  118.534   7.8994  105.810   12.471   93.639   18.599  115.751   16.809  111.079   12.356  125.989   9.8454 -14.91066 15.79878 
1 1 1  -31   15   57 o   75.585   9.9917   46.977   9.7272   35.360   14.594   56.264   13.048   64.247   16.632   86.922   11.077 -22.67520 19.98346 
1 1 1  -31   15   58 o   29.247   13.402  -4.3061   12.003  -4.3061   12.003   0.0000   0.0000   29.247   13.402  ?   ?       ?      ? 
1 1 1  -31   15   59 o   45.935   16.317   17.390   12.754   17.390   12.754   0.0000   0.0000   45.935   16.317  ?   ?       ?      ? 
1 1 1  -31   15   60 o   44.458   11.479   15.953   8.9803   17.641   13.231   14.512   12.228   46.018   16.590   42.897   15.871 3.120560 22.95887 
1 1 1  -31   15   61 o   42.326   15.937   14.040   12.436   0.0000   0.0000   14.040   12.436  ?   ?    42.326   15.937      ?      ? 
1 1 1  -31   15   62 o   49.965   11.890   22.237   9.5391   20.940   14.178   23.309   12.894   48.609   17.210   51.321   16.409 -2.711914 23.77905 
1 1 1  -31   15   63 o   52.412   11.187   23.773   9.5842   10.671   13.548   36.898   13.560   39.519   16.090   65.306   15.546 -25.78757 22.37370 
1 1 1  -31   15   64 f   38.415   11.070   9.9420   9.0595   11.016   13.301   9.0123   12.373   39.425   15.983   37.405   15.320 2.020069 22.13967 
1 1 1  -31   15   65 o   51.657   10.881   22.211   9.4676   6.8235   12.952   39.868   13.874   35.928   15.261   67.385   15.515 -31.45696 21.76266 
1 1 1  -31   15   66 o  113.552   11.745  101.404   18.073   0.0000   0.0000  101.404   18.073  ?   ?   113.552   11.745      ?      ? 
1 1 1  -31   15   67 o   34.895   15.052   6.0227   12.962   0.0000   0.0000   6.0227   12.962  ?   ?    34.895   15.052      ?      ? 
1 1 1  -31   15   68 o   31.784   14.259   1.6095   12.741   0.0000   0.0000   1.6095   12.741  ?   ?    31.784   14.259      ?      ? 
1 1 1  -31   15   69 o   49.385   16.837   24.398   13.505   0.0000   0.0000   24.398   13.505  ?   ?    49.385   16.837      ?      ? 
1 1 1  -31   16    2 o   48.663   15.832   18.254   11.967   18.254   11.967   0.0000   0.0000   48.663   15.832  ?   ?       ?      ? 
1 1 1  -31   16    3 o   47.524   15.460   17.249   11.411   17.249   11.411   0.0000   0.0000   47.524   15.460  ?   ?       ?      ? 
1 1 1  -31   16    4 o   76.566   13.890   44.641   13.881   44.641   13.881   0.0000   0.0000   76.566   13.890  ?   ?       ?      ? 
1 1 1  -31   16    5 o   91.951   12.124   61.591   15.107   61.591   15.107   0.0000   0.0000   91.951   12.124  ?   ?       ?      ? 
1 1 1  -31   16    6 o   34.568   12.376   7.8210   7.3516   7.8210   7.3516   0.0000   0.0000   34.568   12.376  ?   ?       ?      ? 
1 1 1  -31   16    7 o   54.812   8.0135   22.219   5.7551   18.904   7.8864   25.995   8.4176   50.189   11.795   59.436   10.851 -9.246853 16.02694 
1 1 1  -31   16    8 o   97.072   5.8974   66.035   7.6550   65.994   10.052   66.091   11.811   97.302   7.6234   96.842   9.0000 0.4596176 11.79481 
1 1 1  -31   16    9 o   48.555   8.6307   17.621   5.6783   15.348   7.7284   20.288   8.3707   45.167   12.296   51.943   12.114 -6.775421 17.26147 
1 1 1  -31   16   10 f   40.011   9.0315   11.855   6.4668  -3.1978   11.840   18.255   7.7200   30.651   13.749   49.372   11.715 -18.72107 18.06297 
1 1 1  -31   16   11 o   89.549   7.7489   56.725   8.9743   60.111   15.293   54.947   11.083   90.860   12.420   88.238   9.2689 2.622597 15.49776 
1 1 1  -31   16   12 o   63.654   7.6187   29.380   6.3682   24.567   8.8405   34.572   9.1812   57.440   11.753   69.867   9.6972 -12.42651 15.23740 
1 1 1  -31   16   13 o   59.332   8.0736   26.306   6.2789   35.144   8.8998   17.548   8.8597   70.569   9.3065   48.094   13.196 22.47451 16.14726 
1 1 1  -31   16   14 o   29.376   8.2560   2.5613   5.2330  -2.4858   7.3905   7.6361   7.4108   24.305   10.885   34.448   12.416 -10.14289 16.51205 
1 1 1  -31   16   15 o   41.063   13.104   12.346   8.2258   12.346   8.2258   0.0000   0.0000   41.063   13.104  ?   ?       ?      ? 
1 1 1  -31   16   16 o   60.451   8.1953   26.918   6.4568   24.329   8.7870   29.958   9.5196   57.176   11.734   63.727   11.444 -6.550987 16.39070 
1 1 1  -31   16   17 o   29.759   8.4245   3.6414   5.2037   1.7329   7.6557   5.2803   7.0946   28.275   11.856   31.243   11.972 -2.967207 16.84909 
1 1 1  -31   16   18 o   58.052   8.1312   24.713   6.2511   17.203   8.5821   33.201   9.1234   47.673   12.949   68.430   9.8385 -20.75694 16.26248 
1 1 1  -31   16   19 o   82.762   6.5233   48.142   7.3011   45.709   9.9437   50.989   10.755   80.541   9.1106   84.983   9.3385 -4.442352 13.04650 
1 1 1  -31   16   20 o   70.599   7.9399   35.421   7.0518   21.153   9.2629   55.091   10.876   52.771   13.030   88.426   9.0759 -35.65442 15.87972 
1 1 1  -31   16   21 o   38.632   9.0794   8.9804   6.0691   1.9704   8.1893   17.522   9.0397   29.261   12.266   48.004   13.390 -18.74361 18.15877 
1 1 1  -31   16   22 f   62.127   8.2866   27.778   6.7902   22.936   8.9796   34.244   10.377   55.214   12.315   69.039   11.091 -13.82536 16.57313 
1 1 1  -31   16   23 o   99.313   7.7796   68.705   10.212   80.600   16.817   61.757   12.853  105.516   11.761   93.110   10.187 12.40594 15.55920 
1 1 1  -31   16   24 o   69.838   9.8255   37.991   8.6949   32.550   14.437   41.088   10.892   63.905   16.542   75.772   10.607 -11.86698 19.65103 
1 1 1  -31   16   25 o   33.772   9.1930   6.2241   5.9848   7.9658   8.2604   4.2997   8.6829   35.499   13.060   32.045   12.941 3.453934 18.38594 
1 1 1  -31   16   26 o   83.770   6.9518   50.432   7.7852   54.655   10.514   45.308   11.583   88.083   8.8087   79.457   10.757 8.626175 13.90364 
1 1 1  -31   16   27 o   79.919   7.1200   46.114   7.5948   50.595   10.272   40.711   11.280   84.673   8.9520   75.164   11.074 9.509163 14.24002 
1 1 1  -31   16   28 o   40.359   9.2803   11.474   6.1343   16.844   8.6284   5.9866   8.7227   47.005   13.071   33.713   13.177 13.29230 18.56059 
1 1 1  -31   16   29 o   57.335   12.245   24.804   9.2247   24.804   9.2247   0.0000   0.0000   57.335   12.245  ?   ?       ?      ? 
1 1 1  -31   16   30 o   41.847   9.5534   13.032   6.2095   14.586   8.4656   11.222   9.1356   43.892   13.177   39.802   13.836 4.089546 19.10671 
1 1 1  -31   16   31 o   66.022   8.4568   33.665   7.1554   44.348   9.8740   21.852   10.384   79.077   9.2143   52.968   14.183 26.10843 16.91354 
1 1 1  -31   16   32 o   73.464   7.7210   38.740   7.3561   29.513   9.8029   50.631   11.129   62.696   11.975   84.233   9.7498 -21.53676 15.44196 
1 1 1  -31   16   33 o   68.436   7.9826   33.872   7.1716   28.138   9.5400   41.323   10.875   61.161   11.939   75.711   10.600 -14.54948 15.96513 
1 1 1  -31   16   34 o   71.776   7.6853   37.425   7.4166   38.562  10.0000   36.036   11.057   73.318   10.065   70.233   11.617 3.085464 15.37068 
1 1 1  -31   16   35 o  106.806   7.5325   82.083   10.790   85.193   16.590   79.802   14.205  108.115   11.323  105.496   9.9364 2.619698 15.06496 
1 1 1  -31   16   36 o  102.690   7.6696   77.257   10.533   69.652   15.643   83.564   14.246   97.359   11.857  108.022   9.7318 -10.66270 15.33921 
1 1 1  -31   16   37 f   28.976   12.439   1.0018   8.7702   0.0000   0.0000   1.0018   8.7702  ?   ?    28.976   12.439      ?      ? 
1 1 1  -31   16   38 o   46.248   14.120   16.655   9.6611   0.0000   0.0000   16.655   9.6611  ?   ?    46.248   14.120      ?      ? 
1 1 1  -31   16   39 o   86.066   8.1002   53.915   9.3694   57.978   14.372   50.912   12.356   88.553   11.977   83.579   10.909 4.974632 16.20036 
1 1 1  -31   16   40 o   65.227   9.4607   35.885   8.5878   13.334   12.728   54.732   11.635   43.275   16.156   87.179   9.8489 -43.90364 18.92142 
1 1 1  -31   16   41 o   46.226   10.611   16.683   7.5369   17.335   11.653   16.215   9.8821   46.914   15.640   45.538   14.344 1.376167 21.22225 
1 1 1  -31   16   42 o   78.886   8.7946   45.891   9.2876   50.875   14.540   42.455   12.071   82.062   13.075   75.710   11.766 6.351486 17.58914 
1 1 1  -31   16   43 o   84.296   12.888   53.630   14.722   53.630   14.722   0.0000   0.0000   84.296   12.888  ?   ?       ?      ? 
1 1 1  -31   16   44 o   30.482   9.3906   0.0449   7.2216   3.7785   11.162  -2.6428   9.4707   33.800   14.252   27.165   12.231 6.635061 18.78115 
1 1 1  -31   16   45 o   32.962   9.7326   3.9302   7.2925   0.7669   11.336   6.1634   9.5250   31.802   13.894   34.121   13.633 -2.319040 19.46524 
1 1 1  -31   16   46 o   49.968   10.811   20.505   7.9854   18.511   12.716   21.803   10.261   47.845   16.337   52.092   14.163 -4.246437 21.62169 
1 1 1  -31   16   47 o   72.478   9.6184   41.223   9.0093   39.405   14.222   42.441   11.643   69.344   15.522   75.612   11.363 -6.268013 19.23677 
1 1 1  -31   16   48 o   65.321   10.499   34.956   8.9784   32.906   14.076   36.362   11.658   62.452   16.416   68.190   13.092 -5.738487 20.99728 
1 1 1  -31   16   49 o   47.002   11.191   17.898   8.3536   18.065   13.115   17.784   10.836   47.157   16.567   46.847   15.049 0.3098869 22.38162 
1 1 1  -31   16   50 o   57.225   9.5467   27.924   8.9629   3.9399   13.726   45.752   11.834   36.010   15.512   78.439   11.133 -42.42968 19.09344 
1 1 1  -31   16   51 o   46.435   15.017   17.569   10.776   0.0000   0.0000   17.569   10.776  ?   ?    46.435   15.017      ?      ? 
1 1 1  -31   16   52 o   38.013   14.456   9.9749   10.295   0.0000   0.0000   9.9749   10.295  ?   ?    38.013   14.456      ?      ? 
1 1 1  -31   16   53 o   50.460   11.286   21.453   8.5879   23.107   13.045   20.188   11.409   51.821   16.497   49.100   15.404 2.721367 22.57124 
1 1 1  -31   16   54 o   36.472   10.512   7.3919   8.1987   9.4298   11.893   5.5462   11.318   38.262   15.251   34.682   14.470 3.579906 21.02302 
1 1 1  -31   16   55 o   29.259   9.3284  -1.8647   7.8131  -2.4176   11.391  -1.3735   10.737   29.345   13.295   29.173   13.089 0.1718597 18.65680 
1 1 1  -31   16   56 o   42.080   11.151   13.082   8.9794   6.1225   12.695   20.049   12.702   35.997   15.190   48.163   16.329 -12.16529 22.30180 
1 1 1  -31   16   57 o   37.557   15.484   8.4212   12.743   8.4212   12.743   0.0000   0.0000   37.557   15.484  ?   ?       ?      ? 
1 1 1  -31   16   58 o   41.917   11.270   13.983   8.9109   11.574   12.878   16.196   12.343   39.925   15.884   43.910   15.994 -3.984440 22.54093 
1 1 1  -31   16   59 o   46.155   11.246   18.108   9.0734   9.6596   12.940   26.279   12.726   38.239   15.665   54.071   16.139 -15.83263 22.49113 
1 1 1  -31   16   60 f   39.404   11.136   11.552   8.9901   11.292   13.011   11.790   12.437   39.314   15.854   39.494   15.642 -0.1799812 22.27111 
1 1 1  -31   16   61 o   64.233   11.789   38.096   10.368   35.844   14.679   40.337   14.646   61.860   16.990   66.605   16.348 -4.745274 23.57767 
1 1 1  -31   16   62 o   33.887   10.490   4.2399   9.1484   4.8675   13.550   3.7141   12.402   34.672   15.167   33.102   14.495 1.570183 20.97990 
1 1 1  -31   16   63 o   54.498   12.296   29.444   10.242   29.210   14.914   29.652   14.089   53.932   17.680   55.064   17.093 -1.131966 24.59160 
1 1 1  -31   16   64 o   38.157   15.588   11.369   12.769   0.0000   0.0000   11.369   12.769  ?   ?    38.157   15.588      ?      ? 
1 1 1  -31   16   65 o   30.854   13.975   0.8047   12.577   0.0000   0.0000   0.8047   12.577  ?   ?    30.854   13.975      ?      ? 
1 1 1  -31   16   66 o   36.890   15.316   10.689   12.593   0.0000   0.0000   10.689   12.593  ?   ?    36.890   15.316      ?      ? 
1 1 1  -31   16   67 f   45.596   16.729   21.780   13.540   0.0000   0.0000   21.780   13.540  ?   ?    45.596   16.729      ?      ? 
1 1 1  -31   16   68 o   32.400   14.408   4.9450   12.705   0.0000   0.0000   4.9450   12.705  ?   ?    32.400   14.408      ?      ? 
1 1 1  -31   17   13 o   85.194   7.7816   52.789   8.9550   53.749   13.242   51.980   12.156   85.687   11.404   84.700   10.591 0.9872894 15.56323 
1 1 1  -31   17   14 o   66.277   13.571   34.020   11.778   34.020   11.778   0.0000   0.0000   66.277   13.571  ?   ?       ?      ? 
1 1 1  -31   17   15 o   36.061   9.5360   8.2848   6.2074   8.5690   9.6679   8.0855   8.0967   36.939   14.018   35.184   12.932 1.755272 19.07203 
1 1 1  -31   17   16 o   36.564   8.6644   7.6233   6.2849  -5.9772   9.7593   17.261   8.2153   25.778   11.910   47.350   12.587 -21.57182 17.32880 
1 1 1  -31   17   17 o   71.069   9.0501   41.698   8.0558   22.140   12.132   57.121   10.774   52.471   15.780   89.667   8.8666 -37.19553 18.10023 
1 1 1  -31   17   18 o   92.231   7.4639   62.397   9.1722   55.245   13.703   68.202   12.346   86.725   11.660   97.737   9.3213 -11.01172 14.92784 
1 1 1  -31   17   19 o   76.389   8.6245   44.289   8.5326   37.925   12.646   49.607   11.560   69.891   13.842   82.887   10.292 -12.99637 17.24908 
1 1 1  -31   17   20 o   36.657   9.4222   7.9494   6.7243  -0.9395   10.230   14.713   8.9229   29.532   13.040   43.781   13.604 -14.24987 18.84447 
1 1 1  -31   17   21 o   29.643   9.1004   0.5494   6.6973  -0.3583   10.570   1.1583   8.6570   30.366   13.337   28.919   12.385 1.447367 18.20076 
1 1 1  -31   17   22 o   71.860   11.432   37.859   11.133   0.0000   0.0000   37.859   11.133  ?   ?    71.860   11.432      ?      ? 
1 1 1  -31   17   23 o   41.788   10.175   12.989   6.9919   11.550   10.559   14.113   9.3306   40.548   14.789   43.028   13.979 -2.479542 20.34992 
1 1 1  -31   17   24 o   41.154   10.241   11.817   7.0677   15.966   10.944   8.8489   9.2572   45.448   15.157   36.861   13.775 8.586990 20.48150 
1 1 1  -31   17   25 o   46.629   10.296   15.867   7.3671   24.124   11.486   10.096   9.6023   54.833   15.017   38.425   14.090 16.40791 20.59166 
1 1 1  -31   17   26 o   69.669   9.5521   38.593   8.6535   28.382   12.905   46.935   11.664   59.031   15.814   80.307   10.718 -21.27655 19.10412 
1 1 1  -31   17   27 o   54.841   15.431   24.344   11.951   24.344   11.951   0.0000   0.0000   54.841   15.431  ?   ?       ?      ? 
1 1 1  -31   17   28 o   53.225   10.361   22.610   7.6746   23.042   11.556   22.270   10.266   53.435   15.222   53.015   14.059 0.4201012 20.72161 
1 1 1  -31   17   29 o   85.647   8.1488   53.462   9.4038   61.024   14.196   47.549   12.553   90.989   11.513   80.305   11.535 10.68436 16.29764 
1 1 1  -31   17   30 o   90.224   8.0523   61.036   9.5990   48.677   13.978   72.065   13.205   80.447   12.822  100.001   9.7441 -19.55376 16.10452 
1 1 1  -31   17   31 f   50.539   9.3617   20.131   7.7300   3.5739   11.406   34.197   10.513   33.976   14.371   67.102   12.002 -33.12540 18.72331 
1 1 1  -31   17   32 o   33.663   9.7377   5.0035   7.1041   1.9207   11.071   7.1611   9.2623   32.380   13.940   34.945   13.601 -2.565125 19.47531 
1 1 1  -31   17   33 o  101.387   7.7320   74.329   10.535   84.180   16.230   67.157   13.848  106.916   11.202   95.858   10.661 11.05854 15.46397 
1 1 1  -31   17   34 o  113.958   7.7244   97.282   11.591   75.691   16.844  116.701   15.974  100.441   12.375  127.475   9.2474 -27.03388 15.44876 
1 1 1  -31   17   35 o   59.054   10.809   27.609   8.5654   33.574   13.783   23.855   10.933   63.729   15.987   54.378   14.550 9.350346 21.61716 
1 1 1  -31   17   36 o   36.683   13.956   8.7202   9.5981   0.0000   0.0000   8.7202   9.5981  ?   ?    36.683   13.956      ?      ? 
1 1 1  -31   17   37 o   39.480   10.402   10.925   7.5265   7.8975   11.688   13.070   9.8379   37.452   15.053   41.508   14.362 -4.055508 20.80491 
1 1 1  -31   17   38 o   97.296   7.9429   70.441   10.387   66.645   15.390   73.616   14.076   94.252   12.049  100.339   10.352 -6.087196 15.88573 
1 1 1  -31   17   39 o   84.656   9.3983   57.488   9.9376   38.706   14.470   74.256   13.672   68.334   15.921  100.978   9.9914 -32.64438 18.79651 
1 1 1  -31   17   40 o   63.346   10.153   33.089   8.8164   22.950   13.059   41.580   11.951   52.224   16.494   74.467   11.843 -22.24340 20.30533 
1 1 1  -31   17   41 o   37.852   15.095   8.6157   11.656   8.6157   11.656   0.0000   0.0000   37.852   15.095  ?   ?       ?      ? 
1 1 1  -31   17   42 o   82.808   9.2006   53.518   9.9230   48.284   14.736   57.861   13.423   77.467   14.572   88.149   11.237 -10.68236 18.40114 
1 1 1  -31   17   43 o   51.307   9.9938   21.457   8.4936   4.7979   12.564   35.479   11.527   35.515   15.056   67.100   13.147 -31.58519 19.98765 
1 1 1  -31   17   44 o   58.372   11.034   28.577   8.8383   28.889   13.546   28.345   11.663   58.041   16.463   58.703   14.695 -0.6624985 22.06720 
1 1 1  -31   17   45 o   31.724   9.6320   2.5240   7.4176  -0.4027   11.826   4.4224   9.5240   31.247   13.897   32.202   13.340 -0.9551392 19.26398 
1 1 1  -31   17   46 o   46.880   10.523   18.113   8.0552   9.7090   12.000   25.005   10.867   38.678   15.350   55.082   14.398 -16.40331 21.04605 
1 1 1  -31   17   47 o   37.846   9.9075   7.9669   7.7494  -3.7234   11.279   18.421   10.666   28.566   13.053   47.126   14.908 -18.56027 19.81506 
1 1 1  -31   17   48 o   54.160   11.212   25.243   8.7498   25.266   12.681   25.222   12.088   54.018   16.108   54.303   15.601 -0.2846222 22.42461 
1 1 1  -31   17   49 o   61.061   14.937   31.358   12.258   0.0000   0.0000   31.358   12.258  ?   ?    61.061   14.937      ?      ? 
1 1 1  -31   17   50 o   34.456   14.368   5.7718   11.152   0.0000   0.0000   5.7718   11.152  ?   ?    34.456   14.368      ?      ? 
1 1 1  -31   17   51 o   57.515   9.9554   27.400   9.2236   8.0272   13.009   46.986   13.080   37.404   15.551   77.627   12.434 -40.22306 19.91079 
1 1 1  -31   17   52 o   74.497   10.360   47.563   10.313   25.213   14.341   71.501   14.842   52.337   17.346   96.656   11.331 -44.31936 20.71932 
1 1 1  -31   17   53 o   50.623   11.105   22.850   9.1033   12.652   13.348   31.716   12.447   40.784   16.188   60.462   15.206 -19.67809 22.21020 
1 1 1  -31   17   54 o   76.459   10.592   50.671   10.637   37.935   15.330   62.497   14.771   63.843   17.292   89.075   12.237 -25.23166 21.18381 
1 1 1  -31   17   55 f   52.263   17.314   26.015   14.289   26.015   14.289   0.0000   0.0000   52.263   17.314  ?   ?       ?      ? 
1 1 1  -31   17   56 o   24.929   8.4522 -12.4589   8.0705  -4.0005   12.334 -18.7921   10.672   28.830   13.345   21.028   10.377 7.801630 16.90449 
1 1 1  -31   17   57 o   28.131   9.2254  -4.0393   8.3557  -5.3735   12.679  -3.0149   11.110   28.410   13.278   27.853   12.811 0.5565796 18.45072 
1 1 1  -31   17   58 o   27.556   9.0950  -4.8734   8.3243  -5.0336   12.456  -4.7441   11.191   28.181   13.168   26.932   12.549 1.249269 18.19003 
1 1 1  -31   17   59 o   39.118   11.072   12.686   8.9903   9.8427   13.438   14.989   12.096   37.223   15.663   41.014   15.652 -3.790974 22.14316 
1 1 1  -31   17   60 o   29.325   9.5614  -2.0231   8.8539  -5.1593   13.429   0.3886   11.776   28.743   13.507   29.907   13.536 -1.164021 19.12285 
1 1 1  -31   17   61 o   36.911   10.617   9.2586   9.2132  -2.6353   13.777   18.881   12.392   29.931   13.940   43.890   16.019 -13.95887 21.23498 
1 1 1  -31   17   62 o   38.608   15.701   13.333   12.882   0.0000   0.0000   13.333   12.882  ?   ?    38.608   15.701      ?      ? 
1 1 1  -31   17   63 o   42.058   16.268   18.125   13.188   0.0000   0.0000   18.125   13.188  ?   ?    42.058   16.268      ?      ? 
1 1 1  -31   18   21 o   59.635   10.055   28.399   7.9782   30.905   11.977   26.400   10.697   61.836   14.538   57.434   13.895 4.402122 20.10999 
1 1 1  -31   18   22 o   68.580   9.3310   36.984   8.3890   32.215   12.499   40.894   11.317   62.908   14.892   74.252   11.247 -11.34369 18.66208 
1 1 1  -31   18   23 o   45.096   10.464   16.134   7.3367   16.423   11.253   15.920   9.6757   45.407   15.369   44.785   14.203 0.6216850 20.92725 
1 1 1  -31   18   24 o   49.547   10.225   20.038   7.7367   11.923   11.333   27.121   10.588   40.753   15.239   58.341   13.637 -17.58747 20.44966 
1 1 1  -31   18   25 o   47.540   15.773   18.412   11.857   18.412   11.857   0.0000   0.0000   47.540   15.773  ?   ?       ?      ? 
1 1 1  -31   18   26 o   53.820   10.842   24.116   8.3350   21.507   12.330   26.312   11.311   50.822   16.024   56.819   14.609 -5.997604 21.68386 
1 1 1  -31   18   27 o   33.788   9.4816   4.3670   7.2072  -5.6809   10.864   12.264   9.6317   27.218   12.572   40.359   14.196 -13.14118 18.96312 
1 1 1  -31   18   28 o   38.525   10.298   9.4255   7.3856   14.660   11.415   5.6561   9.6866   43.439   15.436   33.612   13.635 9.827881 20.59553 
1 1 1  -31   18   29 o   69.931   9.7362   38.974   8.9150   35.381   13.584   41.692   11.816   65.301   15.570   74.561   11.694 -9.259804 19.47234 
1 1 1  -31   18   30 o   66.386   9.8518   37.561   8.8573   20.021   13.263   51.681   11.900   48.986   16.685   83.786   10.481 -34.79963 19.70368 
1 1 1  -31   18   31 o   45.101   10.997   16.220   8.1007   17.341   12.305   15.361   10.762   46.225   16.058   43.977   15.029 2.247513 21.99391 
1 1 1  -31   18   32 o   45.417   11.018   16.704   8.1856   15.265   12.523   17.778   10.816   44.158   16.106   46.676   15.039 -2.517540 22.03604 
1 1 1  -31   18   33 o   28.421   8.9479  -1.9045   7.2073 -10.7703   11.929   3.1921   9.0447   26.181   12.431   30.662   12.874 -4.480362 17.89576 
1 1 1  -31   18   34 o   33.828   13.452   6.4915   9.2331   0.0000   0.0000   6.4915   9.2331  ?   ?    33.828   13.452      ?      ? 
1 1 1  -31   18   35 o   29.493   9.0680  -1.0757   6.8593   6.5290   10.699  -6.3825   8.9377   35.090   14.294   23.897   11.162 11.19351 18.13601 
1 1 1  -31   18   36 o   38.289   9.2821   3.9845   7.3403   24.041   11.305 -10.6344   9.6516   53.649   14.977   22.929   10.969 30.72012 18.56426 
1 1 1  -31   18   37 o   33.583   9.7963   5.1189   7.3478   1.3401   11.029   8.1345   9.8528   31.380   13.707   35.786   14.000 -4.405722 19.59264 
1 1 1  -31   18   38 o   54.317   11.026   25.057   8.4812   25.695   13.039   24.589   11.166   54.408   16.358   54.226   14.788 0.1811218 22.05129 
1 1 1  -31   18   39 o   65.830   15.594   36.733   13.697   36.733   13.697   0.0000   0.0000   65.830   15.594  ?   ?       ?      ? 
1 1 1  -31   18   40 o   47.510   10.718   19.132   8.4121   9.8767   12.724   26.318   11.212   38.946   15.687   56.073   14.609 -17.12731 21.43610 
1 1 1  -31   18   41 o   55.485   11.134   26.113   8.7124   31.309   13.407   22.314   11.462   59.909   16.148   51.060   15.334 8.848976 22.26876 
1 1 1  -31   18   42 o   27.548   8.8406  -3.3319   7.3772 -11.7808   12.053   1.7287   9.3285   25.634   12.261   29.463   12.739 -3.829147 17.68127 
1 1 1  -31   18   43 o   33.138   9.8272   4.3836   7.7325  -2.6800   12.382   8.8994   9.9004   30.120   13.729   36.156   14.064 -6.035984 19.65442 
1 1 1  -31   18   44 o   60.643   10.544   33.257   9.3811   18.761   14.532   43.615   12.284   46.365   17.272   74.921   12.099 -28.55532 21.08813 
1 1 1  -31   18   45 o   72.612   10.300   47.387   10.068   23.656   14.773   67.966   13.757   50.523   17.592   94.700   10.720 -44.17755 20.60092 
1 1 1  -31   18   46 o   37.909   10.759   9.9905   8.4363   7.7314   13.255   11.529   10.938   36.955   15.554   38.862   14.871 -1.906246 21.51889 
1 1 1  -31   18   47 o   20.814   10.176 -14.7118   9.5312   0.0000   0.0000 -14.7118   9.5312  ?   ?    20.814   10.176      ?      ? 
1 1 1  -31   18   48 o   33.254   13.986   5.5220   10.704   0.0000   0.0000   5.5220   10.704  ?   ?    33.254   13.986      ?      ? 
1 1 1  -31   18   49 o   32.778   10.014   3.9047   8.2553  -0.1921   12.486   7.0863   11.003   30.978   13.987   34.578   14.333 -3.600407 20.02704 
1 1 1  -31   18   50 o   59.573   11.762   33.187   9.7760   35.132   15.061   31.771   12.851   60.159   17.453   58.987   15.772 1.172543 23.52314 
1 1 1  -31   18   51 o   36.688   10.780   9.1314   8.7546   9.2374   13.573   9.0558   11.456   37.272   15.716   36.105   14.759 1.167892 21.55967 
1 1 1  -31   18   52 o   53.456   10.964   24.281   9.5099   45.435   14.725   9.1455   12.456   70.456   15.811   36.456   15.192 33.99936 21.92710 
1 1 1  -31   18   53 f   39.101   16.004   12.528   13.492   12.528   13.492   0.0000   0.0000   39.101   16.004  ?   ?       ?      ? 
1 1 1  -31   18   54 o   32.380   10.147   3.4227   8.7758   6.3467   13.242   1.1327   11.719   34.502   15.046   30.259   13.617 4.243181 20.29311 
1 1 1  -31   18   55 o   45.352   10.924   18.876   9.6296   2.2549   14.228   32.924   13.081   32.590   14.802   58.114   16.071 -25.52401 21.84846 
1 1 1  -31   18   56 o   55.418   11.691   32.504   10.277   20.547   15.219   42.525   13.933   44.082   17.353   66.754   15.671 -22.67136 23.38161 
1 1 1  -31   18   57 o   45.292   10.550   18.367   9.6243  -2.4425   14.167   36.200   13.115   29.889   13.991   60.694   15.794 -30.80533 21.09950 
1 1 1  -31   18   58 o   54.153   12.108   32.754   10.402   25.027   15.322   39.360   14.167   46.539   17.650   61.768   16.579 -15.22843 24.21541 
1 1 1  -31   19   28 o   44.265   10.292   15.949   7.9495   5.5856   12.024   23.997   10.596   35.018   14.780   53.511   14.327 -18.49258 20.58437 
1 1 1  -31   19   29 o   37.456   9.9225   9.7685   7.3609   1.2062   11.763   15.280   9.4370   31.759   14.005   43.153   14.060 -11.39397 19.84504 
1 1 1  -31   19   30 o   43.254   10.645   15.490   7.8184   11.509   11.736   18.666   10.483   39.550   15.333   46.958   14.771 -7.408054 21.29048 
1 1 1  -31   19   31 o   32.124   13.264   5.0295   9.3712   0.0000   0.0000   5.0295   9.3712  ?   ?    32.124   13.264      ?      ? 
1 1 1  -31   19   32 o   40.777   14.492   13.371   10.063   0.0000   0.0000   13.371   10.063  ?   ?    40.777   14.492      ?      ? 
1 1 1  -31   19   33 o   47.666   10.863   19.183   7.8887   23.384   12.378   16.308   10.237   51.300   16.037   44.033   14.659 7.266281 21.72673 
1 1 1  -31   19   34 o   32.289   9.4935   4.4933   7.1594  -2.4783   11.554   8.8389   9.1217   29.138   13.274   35.440   13.576 -6.301624 18.98693 
1 1 1  -31   19   35 o   27.957   8.9092  -1.3531   7.0963  -5.8218   11.687   1.2563   8.9311   27.529   12.827   28.384   12.368 -0.8544426 17.81846 
1 1 1  -31   19   36 o   42.418   10.766   14.098   7.8997   21.050   12.381   9.3256   10.259   48.426   16.121   36.410   14.274 12.01666 21.53198 
1 1 1  -31   19   37 o   25.685   12.151  -8.2906   11.195  -8.2906   11.195   0.0000   0.0000   25.685   12.151  ?   ?       ?      ? 
1 1 1  -31   19   38 o   28.665   9.2006  -2.4251   7.6974   2.2246   11.794  -5.8753   10.160   31.905   14.049   25.425   11.884 6.480230 18.40120 
1 1 1  -31   19   39 o   60.678   11.193   32.558   9.2795   39.761   14.206   27.196   12.256   66.532   15.961   54.824   15.697 11.70810 22.38588 
1 1 1  -31   19   40 o   34.227   9.9154   5.1354   8.0455  -5.0466   11.827   13.905   10.976   27.762   12.925   40.692   15.040 -12.93008 19.83076 
1 1 1  -31   19   41 o   36.444   10.509   9.0671   8.3155   5.0168   12.971   11.893   10.835   34.329   14.932   38.559   14.790 -4.230385 21.01699 
1 1 1  -31   19   42 o   40.358   10.368   12.123   8.6914  -2.9733   13.252   23.517   11.513   30.053   13.883   50.662   15.403 -20.60814 20.73648 
1 1 1  -31   19   43 o   34.893   10.283   6.7659   8.5530  -1.7024   13.223   12.857   11.215   30.527   14.017   39.259   15.050 -8.731976 20.56618 
1 1 1  -31   19   44 o   48.180   11.657   22.732   9.3430   18.655   14.178   25.862   12.422   44.247   16.931   52.114   16.028 -7.866703 23.31437 
1 1 1  -31   19   45 o   40.126   15.296   14.131   11.545   0.0000   0.0000   14.131   11.545  ?   ?    40.126   15.296      ?      ? 
1 1 1  -31   19   46 o   40.082   15.318   14.310   11.597   0.0000   0.0000   14.310   11.597  ?   ?    40.082   15.318      ?      ? 
1 1 1  -31   19   47 o   53.666   11.682   29.467   9.6887   22.690   14.492   34.944   13.028   46.720   17.279   60.612   15.726 -13.89189 23.36441 
1 1 1  -31   19   48 o   37.768   11.080   11.674   9.1951   13.231   14.338   10.587   11.984   39.019   16.283   36.517   15.030 2.502636 22.15970 
1 1 1  -31   19   49 o   43.595   11.789   19.232   9.5686   21.967   15.141   17.413   12.347   45.109   17.435   42.080   15.872 3.029377 23.57753 
1 1 1  -31   19   50 o   37.524   11.201   12.023   9.7186   12.752   14.617   11.446   13.011   38.129   16.205   36.919   15.468 1.210117 22.40196 
1 1 1  -31   19   51 o   40.215   16.691   16.385   14.948   16.385   14.948   0.0000   0.0000   40.215   16.691  ?   ?       ?      ? 
1 1 1  -31   20   37 o   45.845   11.381   20.234   8.6198   25.135   13.664   16.995   11.109   49.268   16.932   42.422   15.211 6.845440 22.76152 
1 1 1  -31   20   38 o   39.169   10.594   13.591   8.6571   2.8510   14.065   20.142   10.984   32.632   14.779   45.707   15.183 -13.07511 21.18825 
1 1 1  -31   20   39 o   33.382   10.168   4.7548   8.1090   14.239   13.571  -0.5117   10.113   39.371   16.075   27.392   12.456 11.97950 20.33603 
1 1 1  -31   20   40 o   28.048   9.1629  -1.2430   7.8080  -2.2473   13.513  -0.7396   9.5668   29.514   13.765   26.581   12.098 2.932987 18.32578 
1 1 1  -31   20   41 o   50.916   11.804   26.257   9.2286   35.133   15.019   20.872   11.698   56.488   17.666   45.344   15.662 11.14403 23.60891 
1 1 1  -31   20   42 o   24.819   8.4583  -8.6948   8.0922 -10.6694   13.764  -7.6518   10.004   26.252   12.694   23.385   11.182 2.866396 16.91654 
1 1 1  -30    0    1 o  281.745   9.6174  541.019   36.622   0.0000   0.0000  541.019   36.622  281.745   9.6174  281.745   9.6174 -0.000000 0.000000 
1 1 1  -30    0    2 o  140.403   9.2941  135.606   17.506   0.0000   0.0000  135.606   17.506  140.403   9.2941  140.403   9.2941 -0.000000 0.000000 
1 1 1  -30    0    3 f  382.402   7.7922  993.568   40.342   0.0000   0.0000  993.568   40.342  382.402   7.7922  382.402   7.7922 -0.000000 0.000000 
1 1 1  -30    0    4 f  513.837   9.3359  1794.63   64.959   0.0000   0.0000  1794.63   64.959  513.837   9.3359  513.837   9.3359 -0.000000 0.000000 
1 1 1  -30    0    5 o  392.632   7.9032  1047.41   42.012   0.0000   0.0000  1047.41   42.012  392.632   7.9032  392.632   7.9032 -0.000000 0.000000 
1 1 1  -30    0    6 o  146.911   6.5706  147.266   13.021   0.0000   0.0000  147.266   13.021  146.911   6.5706  146.911   6.5706 -0.000000 0.000000 
1 1 1  -30    0    7 o  835.272   13.778  4752.74  155.862   0.0000   0.0000  4752.74  155.862  835.272   13.778  835.272   13.778 -0.000000 0.000000 
1 1 1  -30    0    8 o  547.750   9.8463  2039.59   73.033   0.0000   0.0000  2039.59   73.033  547.750   9.8463  547.750   9.8463 -0.000000 0.000000 
1 1 1  -30    0    9 o  681.602   11.609  3160.65  107.160   0.0000   0.0000  3160.65  107.160  681.602   11.609  681.602   11.609 -0.000000 0.000000 
1 1 1  -30    0   10 o  485.814   9.0458  1603.91   59.506   0.0000   0.0000  1603.91   59.506  485.814   9.0458  485.814   9.0458 -0.000000 0.000000 
1 1 1  -30    0   11 o  239.127   6.6681  388.751   21.570   0.0000   0.0000  388.751   21.570  239.127   6.6681  239.127   6.6681 -0.000000 0.000000 
1 1 1  -30    0   12 o  354.981   7.4663  858.172   35.841  850.397   50.246  866.227   51.139  353.348   10.514  356.614   10.603 -0.000000 0.000000 
1 1 1  -30    0   13 o  126.041   6.6416  110.122   11.106  125.298   15.738   95.068   15.674  135.040   8.6825  117.042   10.053 -0.000000 0.000000 
1 1 1  -30    0   14 o  485.305   8.9947  1602.31   59.008  1537.27   81.387  1674.38   85.679  474.933   12.666  495.678   12.775 -0.000000 0.000000 
1 1 1  -30    0   15 f   61.627   10.856   30.241   7.8428   32.336   11.021   28.092   11.163   64.708   14.381   58.546   16.265 -0.000000 0.000000 
1 1 1  -30    0   16 o  488.336   9.0481  1620.72   59.699  1534.43   81.865  1718.72   87.245  474.473   12.753  502.198   12.839 -0.000000 0.000000 
1 1 1  -30    0   17 o  120.758   6.8247  100.970   10.993  105.132   15.495   96.753   15.599  123.380   9.3926  118.138   9.9039 -0.000000 0.000000 
1 1 1  -30    0   18 o  347.688   7.4363  822.753   34.949  793.452   48.651  853.999   50.239  341.275   10.543  354.101   10.491 -0.000000 0.000000 
1 1 1  -30    0   19 o  224.837   6.5243  343.584   19.732  305.783   27.067  386.454   28.825  211.581   9.4836  238.094   8.9626 -0.000000 0.000000 
1 1 1  -30    0   20 o  497.474   9.1839  1686.79   61.815  1702.75   87.909  1671.19   86.938  499.804   12.999  495.145   12.977 -0.000000 0.000000 
1 1 1  -30    0   21 o  680.557   11.638  3162.82  107.174  3104.87  149.920  3223.38  153.270  674.182   16.432  686.931   16.486 -0.000000 0.000000 
1 1 1  -30    0   22 o  586.517   10.382  2343.86   82.337  2438.53  119.266  2257.65  113.810  597.821   14.742  575.214   14.622 -0.000000 0.000000 
1 1 1  -30    0   23 o  866.772   20.254  5149.14  237.604   0.0000   0.0000  5149.14  237.604  866.772   20.254  866.772   20.254 -0.000000 0.000000 
1 1 1  -30    0   24 o  146.540   9.6266  147.698   18.927   0.0000   0.0000  147.698   18.927  146.540   9.6266  146.540   9.6266 -0.000000 0.000000 
1 1 1  -30    0   25 o  396.240   8.0419  1069.81   43.099  1055.66   60.808  1084.09   61.095  393.592   11.423  398.888   11.323 -0.000000 0.000000 
1 1 1  -30    0   26 o  539.573   9.7734  1985.89   71.355  1972.04  100.711  1999.84  101.114  537.675   13.843  541.471   13.800 -0.000000 0.000000 
1 1 1  -30    0   27 o  413.670   8.2351  1165.95   46.076  1182.21   65.769  1150.28   64.570  416.504   11.673  410.837   11.619 -0.000000 0.000000 
1 1 1  -30    0   28 o  135.435   6.9022  126.366   12.508  132.533   18.012  120.623   17.382  138.688   9.6928  132.182   9.8291 -0.000000 0.000000 
1 1 1  -30    0   29 o  303.761   7.1723  628.964   29.448  622.326   41.638  635.607   41.654  302.142   10.196  305.379   10.090 -0.000000 0.000000 
1 1 1  -30    0   30 o  329.008   7.4156  737.062   32.970  764.418   47.508  711.646   45.792  334.908   10.491  323.108   10.483 -0.000000 0.000000 
1 1 1  -30    0   31 o  215.271   6.8091  315.865   19.730  288.419   27.226  346.213   28.630  205.350   9.8353  225.191   9.4193 -0.000000 0.000000 
1 1 1  -30    0   32 o  593.354   14.927  2404.52  119.856  2404.52  119.856   0.0000   0.0000  593.354   14.927  593.354   14.927 -0.000000 0.000000 
1 1 1  -30    0   33 o  126.539   10.958  111.264   18.466  111.264   18.466   0.0000   0.0000  126.539   10.958  126.539   10.958 -0.000000 0.000000 
1 1 1  -30    0   34 o  493.024   9.2572  1658.28   61.744  1626.30   86.884  1690.91   87.761  488.196   13.155  497.852   13.028 -0.000000 0.000000 
1 1 1  -30    0   35 o  383.421   8.0276  1002.48   41.621  998.888   59.345  1005.96   58.387  382.719   11.466  384.124   11.238 -0.000000 0.000000 
1 1 1  -30    0   36 o  926.237   15.284  5902.23  191.599  5852.75  269.988  5952.42  271.946  922.312   21.628  930.163   21.601 -0.000000 0.000000 
1 1 1  -30    0   37 o  401.892   8.2244  1101.71   44.701  1087.80   63.402  1115.46   63.035  399.339   11.739  404.446   11.522 -0.000000 0.000000 
1 1 1  -30    0   38 o  253.757   6.9935  439.712   23.947  436.458   34.480  442.745   33.284  252.805   10.101  254.710   9.6745 -0.000000 0.000000 
1 1 1  -30    0   39 o  210.077   6.8392  301.476   19.357  308.604   28.129  295.065   26.678  212.418   9.8197  207.736   9.5222 -0.000000 0.000000 
1 1 1  -30    0   40 o  263.062   7.0103  472.248   24.897  475.528   35.858  469.196   34.594  263.918   10.059  262.205   9.7666 -0.000000 0.000000 
1 1 1  -30    0   41 o  270.213   7.0760  498.677   25.805  473.839   36.482  523.545   36.505  263.398   10.256  277.027   9.7513 -0.000000 0.000000 
1 1 1  -30    0   42 o  182.898   6.9249  229.733   17.009  222.244   24.669  236.519   23.482  179.939   10.192  185.857   9.3779 -0.000000 0.000000 
1 1 1  -30    0   43 o  114.690   7.9397   91.910   11.998   93.173   17.991   90.899   16.101  115.225   11.806  114.155   10.620 -0.000000 0.000000 
1 1 1  -30    0   44 o  449.599   8.8380  1380.36   53.736  1379.27   76.948  1381.41   75.075  449.380   12.658  449.818   12.337 -0.000000 0.000000 
1 1 1  -30    0   45 o  125.969   10.577  110.197   17.762   0.0000   0.0000  110.197   17.762  125.969   10.577  125.969   10.577 -0.000000 0.000000 
1 1 1  -30    0   46 o  499.768   13.237  1706.87   89.504   0.0000   0.0000  1706.87   89.504  499.768   13.237  499.768   13.237 -0.000000 0.000000 
1 1 1  -30    0   47 o   70.683   12.405   43.809   10.384   23.967   15.338   60.601   14.110   49.217   21.806   92.149   11.834 -0.000000 0.000000 
1 1 1  -30    0   48 o  368.509   8.0037  927.341   39.859  926.044   57.356  928.553   55.432  368.208   11.520  368.810   11.114 -0.000000 0.000000 
1 1 1  -30    0   49 o  328.482   7.6926  737.553   34.124  718.887   48.944  755.209   47.601  324.352   11.165  332.612   10.585 -0.000000 0.000000 
1 1 1  -30    0   50 o  312.617   7.6409  666.701   32.211  682.036   47.369  653.510   43.931  315.898   11.096  309.337   10.507 -0.000000 0.000000 
1 1 1  -30    0   51 o  200.797   7.5753  278.870   20.314  249.866   29.458  305.169   28.051  190.481   11.508  211.113   9.8539 -0.000000 0.000000 
1 1 1  -30    0   52 o  145.777   11.641  147.540   22.659  147.540   22.659   0.0000   0.0000  145.777   11.641  145.777   11.641 -0.000000 0.000000 
1 1 1  -30    0   53 o  406.937   8.4864  1132.61   46.684  1104.11   66.447  1160.40   65.602  401.796   12.229  412.078   11.769 -0.000000 0.000000 
1 1 1  -30    0   54 o  251.083   7.3556  429.572   24.814  450.094   37.247  413.196   33.274  256.390   10.763  245.776   10.028 -0.000000 0.000000 
1 1 1  -30    0   55 o  180.084   7.4779  222.801   17.983  226.110   27.122  220.204   24.023  181.135   11.146  179.034   9.9723 -0.000000 0.000000 
1 1 1  -30    0   56 f  104.684   9.6756   78.118   12.848   81.188   20.165   76.020   16.669  105.955   14.888  103.413   12.362 -0.000000 0.000000 
1 1 1  -30    0   57 o  360.785   8.0580  890.088   39.258  898.011   57.074  882.973   54.086  362.233   11.654  359.336   11.131 -0.000000 0.000000 
1 1 1  -30    0   58 o  116.057   8.8368   94.821   13.369   97.302   20.435   92.965   17.676  117.101   13.323  115.014   11.612 -0.000000 0.000000 
1 1 1  -30    0   59 o  155.202   7.8711  170.107   15.993  141.255   23.590  194.645   21.755  142.169   12.465  168.236   9.6143 -0.000000 0.000000 
1 1 1  -30    0   60 o   60.596   14.773   32.736   10.770   33.529   17.246   32.229   13.790   59.889   22.659   61.304   18.963 -0.000000 0.000000 
1 1 1  -30    0   61 o  102.753   9.7188   75.772   12.546   77.483   19.902   74.644   16.162  103.066   15.225  102.439   12.084 -0.000000 0.000000 
1 1 1  -30    0   62 o   54.588   19.362   27.017   13.038   0.0000   0.0000   27.017   13.038   54.588   19.362   54.588   19.362 -0.000000 0.000000 
1 1 1  -30    0   63 o   98.118   12.288   68.911   15.644   0.0000   0.0000   68.911   15.644   98.118   12.288   98.118   12.288 -0.000000 0.000000 
1 1 1  -30    0   64 o  355.238   8.0573  866.134   38.627  872.801   56.439  860.260   52.978  356.393   11.715  354.082   11.066 -0.000000 0.000000 
1 1 1  -30    0   65 o  135.767   8.1872  128.329   14.570  132.641   22.870  125.383   18.903  137.347   12.527  134.186   10.545 -0.000000 0.000000 
1 1 1  -30    0   66 o   66.423   13.853   39.469   10.988   30.630   17.355   45.383   14.196   55.775   23.098   77.071   15.301 -0.000000 0.000000 
1 1 1  -30    0   67 o  181.909   7.6499  230.947   18.464  216.212   27.844  242.512   24.668  176.273   11.777  187.546   9.7666 -0.000000 0.000000 
1 1 1  -30    0   68 o  102.808   15.261   77.782   19.883   77.782   19.883   0.0000   0.0000  102.808   15.261  102.808   15.261 -0.000000 0.000000 
1 1 1  -30    0   69 o   64.751   21.906   37.984   17.203   37.984   17.203   0.0000   0.0000   64.751   21.906   64.751   21.906 -0.000000 0.000000 
1 1 1  -30    0   70 o   61.020   14.597   33.305   10.616   35.352   17.058   32.011   13.562   61.430   22.297   60.611   18.846 -0.000000 0.000000 
1 1 1  -30    0   71 o   91.031   13.034   60.670   15.123   0.0000   0.0000   60.670   15.123   91.031   13.034   91.031   13.034 -0.000000 0.000000 
1 1 1  -30    0   73 o   46.670   22.258   23.219   16.114   23.219   16.114   0.0000   0.0000   46.670   22.258   46.670   22.258 -0.000000 0.000000 
1 1 1  -30    0   74 o  107.673   8.8518   82.650   12.340   91.265   19.128   76.509   16.151  112.316   13.024  103.029   11.992 -0.000000 0.000000 
1 1 1  -30    0   75 o   46.910   14.260   23.148   9.8259   17.068   15.721   27.046   12.587   39.804   21.299   54.015   18.966 -0.000000 0.000000 
1 1 1  -30    0   76 o  159.540   7.6559  179.488   16.199  174.984   24.550  182.960   21.557  157.274   11.667  161.806   9.9168 -0.000000 0.000000 
1 1 1  -30    0   77 o   58.464   18.170   30.298   12.612   0.0000   0.0000   30.298   12.612   58.464   18.170   58.464   18.170 -0.000000 0.000000 
1 1 1  -30    0   78 o   18.715   12.828  -6.1183   10.412   0.0000   0.0000  -6.1183   10.412   18.715   12.828   18.715   12.828 -0.000000 0.000000 
1 1 1  -30    0   79 o  165.282   9.9062  191.795   22.005   0.0000   0.0000  191.795   22.005  165.282   9.9062  165.282   9.9062 -0.000000 0.000000 
1 1 1  -30    0   80 o   83.792   13.092   52.906   13.784   0.0000   0.0000   52.906   13.784   83.792   13.092   83.792   13.092 -0.000000 0.000000 
1 1 1  -30    0   81 o   37.967   18.585   15.788   11.328   0.0000   0.0000   15.788   11.328   37.967   18.585   37.967   18.585 -0.000000 0.000000 
1 1 1  -30    1    1 f  282.838   4.7867  543.333   18.345  543.815   26.104  542.861   25.787  282.958   6.8078  282.718   6.7309 0.2406616 9.573439 
1 1 1  -30    1    2 o  311.287   4.9661  657.942   20.944  671.924   30.020  644.682   29.234  314.505   7.0437  308.069   7.0026 6.436798 9.932281 
1 1 1  -30    1    3 o  194.837   4.4597  257.713   11.772  258.738   16.838  256.733   16.466  195.212   6.3650  194.461   6.2484 0.7506104 8.919379 
1 1 1  -30    1    4 o  449.163   6.0401  1371.95   36.763  1376.97   52.248  1367.02   51.739  449.972   8.5684  448.354   8.5155 1.618195 12.08023 
1 1 1  -30    1    5 o  237.393   4.6127  382.723   14.836  377.295   21.082  388.049   20.882  235.719   6.6000  239.067   6.4457 -3.347519 9.225342 
1 1 1  -30    1    6 o  486.483   6.3712  1609.97   42.001  1610.50   59.608  1609.45   59.192  486.556   9.0404  486.410   8.9800 0.1455078 12.74245 
1 1 1  -30    1    7 o  182.752   5.6464  230.187   13.147  236.755   16.182  217.435   22.548  186.742   6.3947  178.762   9.3079 7.980209 11.29289 
1 1 1  -30    1    8 o  386.807   6.8584  1015.44   33.828  1009.73   41.304  1027.07   58.956  385.453   7.9076  388.161   11.208 -2.707916 13.71681 
1 1 1  -30    1    9 o  186.814   5.5912  230.957   13.284  219.992   16.027  255.020   23.743  180.003   6.5702  193.625   9.0487 -13.62219 11.18246 
1 1 1  -30    1   10 o  357.230   7.6088  867.047   36.834  867.047   36.834   0.0000   0.0000  357.230   7.6088  ?   ?       ?      ? 
1 1 1  -30    1   11 o  226.879   5.2796  356.208   14.215  363.514   16.600  336.123   27.525  231.471   5.2921  222.288   9.1374 9.183014 10.55925 
1 1 1  -30    1   12 o  272.481   5.3829  484.865   17.211  466.546   19.703  543.862   35.358  262.214   5.5449  282.747   9.2281 -20.53275 10.76584 
1 1 1  -30    1   13 o  324.245   5.8104  703.346   22.185  692.142   25.566  737.494   44.635  319.349   5.9077  329.142   10.007 -9.792969 11.62081 
1 1 1  -30    1   14 o  375.998   5.4252  960.177   27.638  937.474   38.656  983.918   39.530  371.453   7.6794  380.544   7.6655 -9.091736 10.85048 
1 1 1  -30    1   15 o  443.550   5.9820  1337.26   35.953  1357.76   51.250  1317.40   50.449  446.896   8.4626  440.205   8.4569 6.691132 11.96392 
1 1 1  -30    1   16 o  385.115   5.5041  1007.76   28.725  1013.06   40.733  1002.52   40.513  386.123   7.7846  384.108   7.7833 2.014587 11.00817 
1 1 1  -30    1   17 o  324.996   5.0777  717.146   22.359  733.803   31.960  701.179   31.291  328.691   7.1751  321.301   7.1867 7.390869 10.15533 
1 1 1  -30    1   18 o  269.430   4.7668  492.918   17.404  493.524   24.626  492.312   24.602  269.596   6.7405  269.264   6.7422 0.3313293 9.533700 
1 1 1  -30    1   19 o  236.025   5.6816  382.477   17.176  390.843   21.215  366.559   29.264  239.932   6.5247  232.117   9.3033 7.814484 11.36326 
1 1 1  -30    1   20 f  368.267   6.6074  922.046   31.142  920.626   38.201  924.859   53.770  368.095   7.6582  368.439   10.769 -0.3441162 13.21474 
1 1 1  -30    1   21 o  190.522   5.5133  248.298   13.513  251.988   16.737  241.390   22.903  192.658   6.4109  188.385   8.9713 4.272385 11.02652 
1 1 1  -30    1   22 o  407.845   5.7287  1130.61   31.661  1121.63   44.688  1139.66   44.864  406.217   8.1181  409.474   8.0851 -3.256958 11.45744 
1 1 1  -30    1   23 f  193.263   4.5633  253.511   11.949  258.269   17.083  248.953   16.720  195.038   6.4636  191.489   6.4435 3.548935 9.126698 
1 1 1  -30    1   24 o  499.033   6.5105  1693.48   44.015  1735.70   63.159  1653.61   61.373  505.073   9.2278  492.993   9.1866 12.07959 13.02099 
1 1 1  -30    1   25 o  250.125   4.7639  424.480   16.140  437.221   23.275  412.679   22.399  253.735   6.7691  246.516   6.7051 7.219055 9.527843 
1 1 1  -30    1   26 o  458.987   7.5873  1435.70   44.424  1435.64   77.132  1435.73   54.343  458.532   12.413  459.441   8.7283 -0.9089355 15.17457 
1 1 1  -30    1   27 o  200.230   5.6777  271.777   14.494  274.801   25.270  270.295   17.694  200.947   9.2798  199.512   6.5444 1.435150 11.35537 
1 1 1  -30    1   28 o  327.149   5.1992  726.471   23.038  754.849   33.186  700.072   32.008  333.311   7.3472  320.988   7.3584 12.32291 10.39843 
1 1 1  -30    1   29 o  302.844   6.2382  628.774   24.115  609.432   41.489  638.643   29.636  299.086   10.236  306.601   7.1328 -7.515167 12.47642 
1 1 1  -30    1   30 o  286.407   6.0778  550.958   22.109  578.079   39.174  538.281   26.782  291.327   9.9228  281.487   7.0211 9.839966 12.15558 
1 1 1  -30    1   31 o  160.085   4.7565  174.279   10.295  160.227   14.522  188.476   14.597  153.575   6.9780  166.594   6.4658 -13.01976 9.513043 
1 1 1  -30    1   32 o   90.053   5.7700   55.112   7.0221   60.862   10.093   49.717   9.7760   94.615   7.8720   85.492   8.4382 9.122185 11.54001 
1 1 1  -30    1   33 o  341.379   7.5297  792.149   34.833  792.149   34.833   0.0000   0.0000  341.379   7.5297  ?   ?       ?      ? 
1 1 1  -30    1   34 o  418.315   7.2902  1202.03   38.996  1221.28   48.018  1164.72   66.833  423.707   8.3629  412.924   11.944 10.78220 14.58036 
1 1 1  -30    1   35 o  272.508   4.9671  504.516   18.341  494.561   25.748  514.769   26.132  269.778   7.0429  275.239   7.0061 -5.460693 9.934144 
1 1 1  -30    1   36 o  266.377   4.9257  481.517   17.768  506.476   25.640  458.457   24.645  273.013   6.9303  259.741   7.0016 13.27200 9.851493 
1 1 1  -30    1   37 o  454.336   6.2049  1405.03   38.200  1419.32   54.398  1391.12   53.656  456.612   8.7913  452.060   8.7587 4.551697 12.40976 
1 1 1  -30    1   38 o  310.115   5.1768  653.365   21.748  672.627   31.231  635.229   30.304  314.549   7.3267  305.681   7.3155 8.868103 10.35359 
1 1 1  -30    1   39 f  525.834   6.8460  1884.61   48.783  1886.43   69.126  1882.80   68.853  526.083   9.6963  525.585   9.6672 0.4979248 13.69208 
1 1 1  -30    1   40 o  191.197   4.8293  248.410   12.512  250.660   17.847  246.236   17.545  192.046   6.8575  190.348   6.8018 1.697479 9.658698 
1 1 1  -30    1   41 o  169.627   4.8861  195.577   11.231  195.426   15.939  195.727   15.828  169.560   6.9367  169.694   6.8830 -0.1346741 9.772112 
1 1 1  -30    1   42 o  188.467   4.8545  241.128   12.389  254.734   17.857  228.501   17.202  193.591   6.8066  183.342   6.9235 10.24901 9.709034 
1 1 1  -30    1   43 o  514.580   8.2542  1803.84   54.290  1789.27   66.422  1833.15   94.232  512.254   9.5685  516.905   13.453 -4.650391 16.50839 
1 1 1  -30    1   44 o  207.812   5.8198  290.579   15.616  282.995   19.228  305.273   26.764  204.018   6.9546  211.606   9.3335 -7.588013 11.63966 
1 1 1  -30    1   45 o  472.601   6.4146  1522.44   41.081  1519.07   58.110  1525.80   58.085  472.075   9.0836  473.126   9.0595 -1.051392 12.82911 
1 1 1  -30    1   46 o  141.831   6.2996  139.892   11.393  128.557   19.348  145.909   14.096  137.191   10.407  146.470   7.1018 -9.279495 12.59917 
1 1 1  -30    1   47 o  375.414   6.9236  969.636   33.441  936.851   56.548  987.267   41.469  370.050   11.277  380.779   8.0365 -10.72885 13.84722 
1 1 1  -30    1   48 o  242.709   4.9961  400.697   16.432  403.613   23.265  397.795   23.212  243.592   7.0479  241.826   7.0832 1.766663 9.992268 
1 1 1  -30    1   49 o  130.027   5.6208  115.066   9.8988  109.905   13.829  120.488   14.175  127.032   8.0336  133.022   7.8636 -5.989899 11.24163 
1 1 1  -30    1   50 o  459.027   7.9088  1422.20   45.801  1497.67   82.210  1388.23   55.153  466.918   12.993  451.136   9.0214 15.78165 15.81762 
1 1 1  -30    1   51 o  526.015   8.6087  1909.76   57.804  1862.80   99.510  1933.67   71.013  519.984   14.122  532.045   9.8494 -12.06061 17.21742 
1 1 1  -30    1   52 o  184.262   6.6816  233.907   15.327  237.217   18.429  226.478   27.607  186.682   7.2846  181.842   11.203 4.840149 13.36318 
1 1 1  -30    1   53 o  375.320   7.1633  964.370   34.103  966.631   41.525  959.687   59.769  376.599   8.1368  374.041   11.792 2.557831 14.32661 
1 1 1  -30    1   54 o  271.400   5.1932  501.550   19.098  494.179   26.950  508.985   27.069  269.390   7.3825  273.409   7.3058 -4.019867 10.38631 
1 1 1  -30    1   55 f  353.842   5.6100  853.439   26.899  844.143   37.996  862.780   38.087  351.901   7.9677  355.783   7.8996 -3.881805 11.22002 
1 1 1  -30    1   56 o   89.160   6.9653   54.441   8.4060   52.036   11.973   56.779   11.804   87.191   10.134   91.129   9.5588 -3.937538 13.93051 
1 1 1  -30    1   57 o  217.044   5.0873  320.722   14.959  329.997   21.453  311.947   20.868  220.097   7.1928  213.992   7.1962 6.104538 10.17457 
1 1 1  -30    1   58 o  161.705   5.3241  178.252   11.666  180.710   16.591  175.848   16.407  162.808   7.5201  160.601   7.5388 2.207504 10.64822 
1 1 1  -30    1   59 o  262.722   5.2147  470.456   18.562  480.121   26.537  461.194   25.975  265.363   7.3795  260.082   7.3699 5.280914 10.42938 
1 1 1  -30    1   60 o  451.221   6.3654  1393.10   38.921  1404.50   55.372  1381.96   54.718  453.037   9.0193  449.405   8.9848 3.631714 12.73088 
1 1 1  -30    1   61 o  254.752   5.2110  442.712   17.983  459.954   25.657  426.062   25.212  259.645   7.2920  249.859   7.4462 9.785812 10.42207 
1 1 1  -30    1   62 o  239.819   6.1072  394.525   19.069  396.583   23.906  390.923   31.619  241.029   7.3189  238.608   9.7788 2.421478 12.21438 
1 1 1  -30    1   63 o  172.045   6.2646  205.382   13.945  194.297   23.150  211.695   17.471  168.040   10.166  176.051   7.3232 -8.010727 12.52916 
1 1 1  -30    1   64 o   66.765   8.8527   31.419   7.7849   39.342   11.385   24.462   10.669   75.447   11.135   58.082   13.765 17.36518 17.70531 
1 1 1  -30    1   65 o  146.331   5.4879  146.588   10.882  148.570   15.487  144.655   15.292  147.308   7.7584  145.353   7.7637 1.954971 10.97572 
1 1 1  -30    1   66 o  145.535   6.4743  146.876   12.435  150.982   16.008  140.629   19.746  148.394   7.9603  142.676   10.213 5.718674 12.94858 
1 1 1  -30    1   67 o  298.205   7.6703  614.832   30.867  639.176   46.139  595.107   41.531  303.284   11.226  293.127   10.455 10.15652 15.34067 
1 1 1  -30    1   68 o  154.567   7.1943  173.204   13.533  147.032   24.326  184.936   16.286  144.888   12.389  164.247   7.3170 -19.35878 14.38869 
1 1 1  -30    1   69 o  163.641   6.7123  184.783   13.774  183.886   16.588  186.775   24.719  163.655   7.4797  163.628   11.148 0.2621460E-01 13.42453 
1 1 1  -30    1   70 o  126.971   5.5762  110.990   9.5928  108.289   13.535  113.717   13.598  125.398   7.9648  128.544   7.8063 -3.145409 11.15240 
1 1 1  -30    1   71 o  167.407   5.1877  192.657   11.761  183.308   16.453  202.428   16.819  163.221   7.4385  171.594   7.2331 -8.372635 10.37537 
1 1 1  -30    1   72 o  119.843   5.6923   99.218   9.2350   93.346   12.950  105.293   13.173  116.185   8.2252  123.501   7.8712 -7.316223 11.38460 
1 1 1  -30    1   73 o   75.029   8.2400   41.885   7.5717   21.347   10.432   64.749   11.007   53.423   14.176   96.635   8.4052 -43.21209 16.48009 
1 1 1  -30    1   74 o  136.678   5.4637  129.442   10.105  136.081   14.211  122.652   14.372  140.320   7.4735  133.037   7.9721 7.283279 10.92731 
1 1 1  -30    1   75 o   88.084   6.6829   54.355   7.9716   51.627   11.125   57.233   11.428   85.776   9.5708   90.391   9.3299 -4.614265 13.36586 
1 1 1  -30    1   76 o   88.349   7.5296   53.864   8.8503   47.689   11.281   63.749   14.273   82.138   10.134   94.560   11.139 -12.42226 15.05922 
1 1 1  -30    1   77 o   51.543   15.871   20.435   12.176   20.435   12.176   0.0000   0.0000   51.543   15.871  ?   ?       ?      ? 
1 1 1  -30    1   78 o  190.760   9.8418  258.332   25.442  258.332   25.442   0.0000   0.0000  190.760   9.8418  ?   ?       ?      ? 
1 1 1  -30    1   79 o   68.971   10.281   36.887   9.3149   32.122   13.064   41.814   13.285   63.890   15.293   74.051   13.745 -10.16096 20.56189 
1 1 1  -30    1   80 o   67.029   10.044   34.651   9.0765   23.746   12.572   46.522   13.117   54.479   15.986   79.579   12.164 -25.10049 20.08725 
1 1 1  -30    1   81 o   94.669   11.710   65.767   15.023   0.0000   0.0000   65.767   15.023  ?   ?    94.669   11.710      ?      ? 
1 1 1  -30    2    1 o  345.016   6.3747  817.418   28.364  834.833   35.290  785.640   47.671  350.495   7.4300  339.538   10.361 10.95651 12.74945 
1 1 1  -30    2    2 o  621.542   9.3311  2641.20   74.270  2640.28   91.214  2642.99  127.937  622.314   10.816  620.771   15.208 1.543274 18.66230 
1 1 1  -30    2    3 o  280.889   4.7994  535.924   18.261  516.910   25.743  555.184   25.909  275.864   6.8862  285.914   6.6870 -10.05069 9.598706 
1 1 1  -30    2    4 o  183.908   4.4742  229.897   11.138  219.218   15.852  240.306   15.651  179.675   6.5107  188.142   6.1388 -8.466476 8.948389 
1 1 1  -30    2    5 o  364.064   5.3591  900.696   26.435  879.234   37.275  922.412   37.496  359.692   7.6473  368.437   7.5100 -8.745544 10.71828 
1 1 1  -30    2    6 o  405.385   5.6886  1117.17   31.248  1112.64   44.405  1121.62   43.981  404.561   8.0997  406.209   7.9897 -1.647461 11.37721 
1 1 1  -30    2    7 o  478.781   6.3263  1558.20   41.028  1498.67   57.188  1621.34   58.893  469.356   8.9913  488.206   8.9019 -18.84995 12.65252 
1 1 1  -30    2    8 o  186.789   4.5394  236.121   11.472  253.408   16.771  220.922   15.726  193.194   6.4059  180.384   6.4333 12.80942 9.078699 
1 1 1  -30    2    9 o  368.348   6.1982  932.341   27.079  942.818   31.538  902.948   52.826  372.668   6.2449  364.029   10.708 8.639374 12.39638 
1 1 1  -30    2   10 o  297.176   5.5375  586.150   19.378  572.405   22.293  628.639   39.196  290.426   5.6645  303.925   9.5168 -13.49915 11.07498 
1 1 1  -30    2   11 o  326.204   5.8453  727.275   22.622  731.503   26.314  715.297   44.290  328.294   5.9148  324.114   10.084 4.180481 11.69057 
1 1 1  -30    2   12 o  258.085   5.5310  451.980   19.344  451.980   19.344   0.0000   0.0000  258.085   5.5310  ?   ?       ?      ? 
1 1 1  -30    2   13 o  327.310   7.1919  727.700   31.900  727.700   31.900   0.0000   0.0000  327.310   7.1919  ?   ?       ?      ? 
1 1 1  -30    2   14 o  538.041   9.6597  1970.29   70.431  1970.29   70.431   0.0000   0.0000  538.041   9.6597  ?   ?       ?      ? 
1 1 1  -30    2   15 o  256.271   5.6762  445.368   18.676  443.246   22.966  449.511   32.091  255.498   6.6331  257.045   9.2129 -1.547089 11.35233 
1 1 1  -30    2   16 o  528.704   8.2586  1909.80   55.954  1916.90   68.829  1895.94   96.083  530.724   9.5703  526.684   13.462 4.039856 16.51727 
1 1 1  -30    2   17 o  325.103   5.0796  717.927   22.378  713.810   31.671  722.033   31.625  324.169   7.2095  326.036   7.1577 -1.867676 10.15919 
1 1 1  -30    2   18 o  266.999   4.7449  484.079   17.167  483.978   24.394  484.178   24.164  266.968   6.7428  267.029   6.6778 -0.6085205E-01 9.489841 
1 1 1  -30    2   19 o  338.132   5.1891  776.721   23.777  774.850   33.698  778.577   33.554  337.724   7.3630  338.541   7.3139 -0.8171692 10.37820 
1 1 1  -30    2   20 f  302.469   4.9649  621.197   20.347  632.105   29.090  610.748   28.471  305.066   7.0366  299.871   7.0062 5.194763 9.929814 
1 1 1  -30    2   21 o  380.062   5.5033  981.649   28.343  974.909   40.084  988.389   40.083  378.753   7.8097  381.370   7.7558 -2.617310 11.00656 
1 1 1  -30    2   22 o  186.430   4.5333  236.085   11.443  224.089   16.153  248.167   16.211  181.665   6.5615  191.195   6.2570 -9.529266 9.066612 
1 1 1  -30    2   23 o  477.100   6.3270  1548.19   40.902  1570.26   58.331  1526.84   57.370  480.442   8.9593  473.758   8.9360 6.683990 12.65395 
1 1 1  -30    2   24 o  405.967   5.7320  1120.15   31.530  1135.42   45.033  1105.47   44.161  408.676   8.1314  403.259   8.0810 5.417053 11.46397 
1 1 1  -30    2   25 o  372.169   5.5037  940.437   27.742  970.636   40.055  912.595   38.460  377.899   7.8217  366.438   7.7450 11.46152 11.00742 
1 1 1  -30    2   26 o  179.647   5.7994  226.298   13.150  199.676   22.513  240.084   16.201  171.252   9.7011  188.041   6.3578 -16.78908 11.59880 
1 1 1  -30    2   27 o  295.509   6.1249  588.858   22.951  608.571   40.651  579.634   27.807  298.910   10.036  292.107   7.0246 6.803467 12.24983 
1 1 1  -30    2   28 o  645.713   9.7372  2857.87   80.326  2839.84  138.765  2866.96   98.509  643.099   15.923  648.328   11.212 -5.229187 19.47440 
1 1 1  -30    2   29 o  362.419   6.6663  891.164   30.755  903.129   53.805  885.358   37.481  363.928   10.910  360.910   7.6636 3.017639 13.33264 
1 1 1  -30    2   30 o  349.836   5.3612  831.704   25.413  840.560   36.278  823.171   35.611  351.660   7.6126  348.013   7.5511 3.647797 10.72244 
1 1 1  -30    2   31 o  173.169   4.6981  203.771   11.019  200.169   15.751  207.225   15.421  171.661   6.7710  174.677   6.5148 -3.015930 9.396199 
1 1 1  -30    2   32 o  225.247   4.7524  344.450   14.500  351.226   20.874  338.132   20.158  227.382   6.7743  223.112   6.6671 4.269653 9.504799 
1 1 1  -30    2   33 o  735.958   8.8136  3702.60   87.899  3710.06  124.664  3695.24  123.954  736.682   12.488  735.234   12.441 1.448242 17.62715 
1 1 1  -30    2   34 o  682.174   8.2915  3177.70   76.639  3224.74  109.517  3132.55  107.286  687.104   11.762  677.244   11.690 9.859497 16.58302 
1 1 1  -30    2   35 o  507.401   8.2301  1775.28   53.593  1812.68   66.337  1705.02   90.937  515.848   9.4897  498.954   13.449 16.89380 16.46018 
1 1 1  -30    2   36 o  486.055   8.0069  1623.46   49.803  1645.14   61.333  1581.52   85.330  491.483   9.2088  480.626   13.101 10.85690 16.01388 
1 1 1  -30    2   37 o  555.627   7.0972  2102.71   53.410  2174.90   77.064  2035.98   74.089  564.784   10.069  546.471   10.005 18.31366 14.19431 
1 1 1  -30    2   38 o  199.971   4.7886  271.734   12.974  271.789   18.526  271.682   18.175  199.986   6.8361  199.957   6.7076 0.2868652E-01 9.577248 
1 1 1  -30    2   39 o  496.019   6.5726  1676.37   44.179  1672.55   62.535  1680.19   62.422  495.448   9.3142  496.590   9.2760 -1.142303 13.14524 
1 1 1  -30    2   40 o  475.710   6.4072  1541.49   41.301  1519.73   58.079  1563.75   58.745  472.311   9.0742  479.109   9.0479 -6.798889 12.81432 
1 1 1  -30    2   41 f  319.629   6.3372  688.520   26.009  673.171   31.858  719.196   45.039  314.607   7.4724  324.650   10.237 -10.04263 12.67438 
1 1 1  -30    2   42 o  451.242   7.5597  1382.09   43.691  1364.88   53.503  1416.52   75.695  447.618   8.8203  454.866   12.280 -7.248993 15.11943 
1 1 1  -30    2   43 o  455.932   6.2721  1416.17   38.749  1428.09   55.208  1404.60   54.401  457.815   8.8987  454.049   8.8414 3.765686 12.54424 
1 1 1  -30    2   44 o  114.628   5.6400   89.432   8.7591   89.779   12.529   89.100   12.250  114.840   8.0509  114.415   7.9008 0.4249420 11.28005 
1 1 1  -30    2   45 o  348.803   5.4835  827.791   25.915  844.791   37.003  811.426   36.306  352.318   7.7504  345.288   7.7592 7.029144 10.96697 
1 1 1  -30    2   46 f  170.427   4.9834  197.562   11.486  181.408   16.087  214.363   16.406  163.299   7.2695  177.556   6.8184 -14.25687 9.966770 
1 1 1  -30    2   47 o  421.500   7.3822  1222.31   39.922  1187.52   67.987  1240.62   49.320  416.304   12.051  426.697   8.5295 -10.39371 14.76433 
1 1 1  -30    2   48 o  200.365   6.0961  272.026   15.574  278.346   27.219  268.949   18.990  201.889   9.9490  198.840   7.0476 3.049683 12.19226 
1 1 1  -30    2   49 f  288.541   6.5826  567.532   24.024  569.663   42.435  566.527   29.145  288.577   10.851  288.505   7.4547 0.7138062E-01 13.16520 
1 1 1  -30    2   50 o  374.644   7.1038  957.440   33.803  963.590   59.267  954.476   41.153  374.990   11.663  374.298   8.1134 0.6925964 14.20753 
1 1 1  -30    2   51 o  164.360   5.1828  183.879   11.516  167.525   16.105  200.992   16.475  156.856   7.5767  171.865   7.0737 -15.00864 10.36551 
1 1 1  -30    2   52 o  215.516   5.0350  315.870   14.699  327.637   21.110  304.796   20.479  219.412   7.0999  211.620   7.1412 7.791885 10.07003 
1 1 1  -30    2   53 o  271.751   6.5476  515.378   22.565  538.038   27.785  471.479   38.672  281.116   7.2935  262.386   10.876 18.73032 13.09520 
1 1 1  -30    2   54 o  178.723   6.5370  217.044   14.585  215.300   17.475  221.046   26.480  177.819   7.2520  179.626   10.878 -1.807205 13.07410 
1 1 1  -30    2   55 o  137.155   5.5210  128.217   10.261  128.969   14.533  127.469   14.490  137.557   7.7965  136.753   7.8192 0.8044128 11.04201 
1 1 1  -30    2   56 o  105.271   6.3352   75.719   9.0161   82.663   12.877   69.041   12.628  110.037   8.6357  100.505   9.2717 9.532433 12.67042 
1 1 1  -30    2   57 o  274.023   5.2417  511.346   19.457  529.684   27.964  494.139   27.088  278.784   7.4021  269.263   7.4236 9.521088 10.48339 
1 1 1  -30    2   58 o  169.696   5.2589  195.977   12.082  207.103   17.500  185.843   16.702  174.294   7.4091  165.099   7.4653 9.195709 10.51785 
1 1 1  -30    2   59 o  198.803   5.1558  269.600   13.884  263.073   19.758  275.966   19.513  196.402   7.4235  201.204   7.1567 -4.801254 10.31150 
1 1 1  -30    2   60 o  130.198   5.8848  115.719   10.345  129.743   14.927  102.757   14.351  137.824   7.9921  122.573   8.6399 15.25105 11.76957 
1 1 1  -30    2   61 o  210.504   7.2500  304.845   20.560  301.125   30.673  307.879   27.707  209.169   10.821  211.839   9.6516 -2.669312 14.49996 
1 1 1  -30    2   62 o  160.249   6.9246  177.754   13.834  172.891   24.863  179.935   16.650  158.208   11.597  162.289   7.5708 -4.081360 13.84926 
1 1 1  -30    2   63 o  223.819   6.1811  344.637   17.821  339.549   30.199  347.355   22.074  222.131   10.032  225.506   7.2235 -3.375656 12.36220 
1 1 1  -30    2   64 o  191.509   6.1583  249.105   15.245  260.121   26.012  243.342   18.816  194.359   9.8760  188.659   7.3596 5.699814 12.31667 
1 1 1  -30    2   65 o  170.508   5.2656  199.026   12.162  195.473   17.342  202.466   17.061  168.981   7.5733  172.036   7.3180 -3.054443 10.53129 
1 1 1  -30    2   66 o  346.363   5.6750  822.904   26.634  831.216   37.985  814.866   37.356  348.069   8.0532  344.658   7.9981 3.411041 11.35003 
1 1 1  -30    2   67 o  129.097   7.7026  115.131   12.112  117.109   22.865  114.359   14.280  129.178   13.062  129.016   8.1678 0.1623688 15.40511 
1 1 1  -30    2   68 o  108.470   6.1272   81.374   8.9636   72.900   12.743   89.674   12.611  102.755   9.1514  114.186   8.1500 -11.43107 12.25439 
1 1 1  -30    2   69 o  184.430   6.7493  237.803   15.446  241.253   18.546  229.991   27.909  187.471   7.3001  181.388   11.354 6.083572 13.49855 
1 1 1  -30    2   70 o   93.905   6.4816   61.114   8.2440   59.608   11.735   62.581   11.584   92.723   9.3396   95.087   8.9897 -2.363426 12.96314 
1 1 1  -30    2   71 o   53.223   9.5130   20.775   6.9151   25.246   10.085   16.808   9.5001   58.563   13.043   47.884   13.852 10.67903 19.02602 
1 1 1  -30    2   72 o   90.948   6.5620   57.552   8.0704   62.562   11.542   52.761   11.289   94.897   8.9752   86.999   9.5752 7.897995 13.12397 
1 1 1  -30    2   73 f  161.901   5.2145  180.864   11.439  184.971   16.280  176.859   16.077  163.731   7.3373  160.071   7.4115 3.659576 10.42907 
1 1 1  -30    2   74 f   53.802   9.2514   21.650   6.8916   13.940   9.6599   29.642   9.8349   43.972   14.218   63.632   11.841 -19.65992 18.50290 
1 1 1  -30    2   75 o  197.986   5.1053  270.960   13.693  261.827   19.107  280.602   19.632  194.543   7.2477  201.429   7.1923 -6.885956 10.21068 
1 1 1  -30    2   76 o  119.973   6.5123  101.124   10.282  101.198   13.089  101.005   16.615  120.547   8.0123  119.399   10.269 1.148079 13.02464 
1 1 1  -30    2   77 o   91.937   8.2410   60.849   10.261   63.897   14.762   58.001   14.272   94.204   11.564   89.670   11.745 4.534485 16.48203 
1 1 1  -30    2   78 o  105.616   7.6988   79.936   10.988   88.479   15.907   72.139   15.196  111.180   10.558  100.052   11.208 11.12836 15.39763 
1 1 1  -30    2   79 o   88.475   8.8482   58.593   10.084   44.788   14.174   72.742   14.349   76.324   14.228  100.626   10.523 -24.30183 17.69635 
1 1 1  -30    2   80 o   94.307   8.0937   64.837   10.319   59.341   14.436   70.579   14.756   89.989   11.838   98.626   11.040 -8.637444 16.18738 
1 1 1  -30    2   81 o  110.728   10.763   89.015   16.150   0.0000   0.0000   89.015   16.150  ?   ?   110.728   10.763      ?      ? 
1 1 1  -30    3    1 o  206.827   5.3928  280.321   14.019  318.648   25.778  264.225   16.705  216.395   8.7905  197.260   6.2493 19.13486 10.78552 
1 1 1  -30    3    2 o  306.095   6.1463  649.832   23.995  599.685   40.792  676.362   29.670  296.661   10.147  315.529   6.9391 -18.86841 12.29265 
1 1 1  -30    3    3 o  613.510   15.215  2582.36  126.496  2582.36  126.496   0.0000   0.0000  613.510   15.215  ?   ?       ?      ? 
1 1 1  -30    3    4 o  358.806   6.5840  890.778   30.150  832.223   51.363  921.564   37.242  349.364   10.849  368.247   7.4630 -18.88306 13.16794 
1 1 1  -30    3    5 o  271.130   5.8402  499.248   20.060  501.709   35.353  498.079   24.362  271.450   9.6107  270.811   6.6384 0.6387634 11.68049 
1 1 1  -30    3    6 o  596.555   10.480  2432.19   84.603  2287.73  116.177  2595.29  123.447  577.740   14.839  615.369   14.803 -37.62830 20.96039 
1 1 1  -30    3    7 o  637.494   11.041  2785.44   95.331  2677.72  132.361  2901.55  137.417  624.691   15.636  650.298   15.594 -25.60681 22.08232 
1 1 1  -30    3    8 o  270.375   5.7447  490.897   20.136  476.702   24.895  517.749   34.241  264.917   6.9346  275.833   9.1605 -10.91602 11.48931 
1 1 1  -30    3    9 o  409.309   6.4913  1115.59   31.156  1092.09   35.790  1189.13   63.314  401.026   6.5857  417.592   11.188 -16.56635 12.98262 
1 1 1  -30    3   10 o  134.233   5.4970  132.865   8.6954  146.603   10.376  100.456   15.937  146.992   5.2089  121.473   9.6817 25.51997 10.99397 
1 1 1  -30    3   11 o  684.445   9.4827  3163.76   75.763  3126.21   87.048  3281.09  153.861  677.716   9.4782  691.175   16.427 -13.45862 18.96535 
1 1 1  -30    3   12 o  279.997   5.4665  532.996   18.278  533.214   21.307  532.388   35.569  280.305   5.6092  279.689   9.3845 0.6152954 10.93302 
1 1 1  -30    3   13 o  485.608   7.2745  1569.04   41.229  1534.25   47.241  1680.20   84.452  475.210   7.3358  496.007   12.564 -20.79755 14.54909 
1 1 1  -30    3   14 o  429.423   6.6868  1212.18   33.460  1173.25   38.223  1339.83   69.213  415.641   6.7861  443.206   11.524 -27.56488 13.37360 
1 1 1  -30    3   15 o  286.648   6.8526  558.047   26.619  558.047   26.619   0.0000   0.0000  286.648   6.8526  ?   ?       ?      ? 
1 1 1  -30    3   16 o  415.704   6.7354  1173.57   37.943  1173.57   37.943   0.0000   0.0000  415.704   6.7354  ?   ?       ?      ? 
1 1 1  -30    3   17 o  478.260   8.9339  1556.04   57.901  1556.04   57.901   0.0000   0.0000  478.260   8.9339  ?   ?       ?      ? 
1 1 1  -30    3   18 f  285.877   4.8568  555.002   18.813  558.503   26.862  551.632   26.355  286.757   6.9127  284.996   6.8241 1.760620 9.713590 
1 1 1  -30    3   19 o  684.003   8.2384  3191.78   76.362  3202.21  108.369  3181.50  107.618  685.104   11.673  682.902   11.629 2.202209 16.47676 
1 1 1  -30    3   20 o  144.940   4.6319  142.615   9.0908  143.546   13.134  141.759   12.596  145.388   6.6664  144.492   6.4327 0.8964386 9.263888 
1 1 1  -30    3   21 o  407.077   6.9741  1123.85   36.200  1141.84   63.161  1115.05   44.175  409.156   11.391  404.997   8.0490 4.159149 13.94819 
1 1 1  -30    3   22 f  268.975   5.8688  494.745   20.135  483.566   34.771  500.385   24.698  266.512   9.6275  271.439   6.7144 -4.926575 11.73758 
1 1 1  -30    3   23 o  640.178   9.5946  2785.11   78.061  2856.41  137.329  2751.08   94.880  645.160   15.708  635.197   11.023 9.963013 19.18926 
1 1 1  -30    3   24 o  600.422   7.4459  2456.82   60.583  2436.62   85.450  2477.23   85.907  597.935   10.546  602.908   10.515 -4.973022 14.89190 
1 1 1  -30    3   25 o  276.660   4.8532  519.753   18.191  526.581   26.077  513.281   25.388  278.424   6.9113  274.895   6.8153 3.528931 9.706421 
1 1 1  -30    3   26 o  373.797   5.4953  949.739   27.834  953.549   39.646  946.036   39.087  374.530   7.8114  373.064   7.7316 1.466064 10.99066 
1 1 1  -30    3   27 o  624.955   7.6931  2662.98   65.147  2690.64   92.911  2636.24   91.371  628.133   10.915  621.777   10.844 6.356140 15.38624 
1 1 1  -30    3   28 o  312.931   5.0979  665.492   21.615  655.304   30.635  675.593   30.503  310.537   7.2799  315.325   7.1385 -4.788300 10.19577 
1 1 1  -30    3   29 o  218.199   5.7947  323.625   15.924  324.291   28.355  323.318   19.245  218.213   9.5890  218.186   6.5090 0.2748108E-01 11.58945 
1 1 1  -30    3   30 o  422.444   7.2612  1212.75   38.929  1226.82   68.469  1206.03   47.321  423.813   11.922  421.074   8.2931 2.738495 14.52244 
1 1 1  -30    3   31 o  193.675   4.6655  254.488   12.234  261.740   17.760  247.939   16.877  196.292   6.6766  191.059   6.5186 5.233643 9.331083 
1 1 1  -30    3   32 o  376.578   5.5663  964.130   28.401  975.894   40.612  952.869   39.733  378.819   7.9111  374.337   7.8326 4.481934 11.13267 
1 1 1  -30    3   33 o  279.506   4.9559  530.826   18.769  534.080   26.813  527.701   26.280  280.340   7.0580  278.672   6.9592 1.667755 9.911852 
1 1 1  -30    3   34 o  187.669   4.7328  239.340   12.030  237.425   17.261  241.148   16.774  186.929   6.8141  188.408   6.5700 -1.478455 9.465606 
1 1 1  -30    3   35 o  410.926   5.8442  1148.67   32.539  1164.55   46.532  1133.47   45.518  413.697   8.3001  408.155   8.2296 5.541962 11.68835 
1 1 1  -30    3   36 f  158.623   5.9948  165.369   12.142  154.695   14.661  188.677   21.665  150.856   7.1717  166.390   9.6083 -15.53410 11.98968 
1 1 1  -30    3   37 o  215.507   5.9740  315.518   16.414  314.337   20.047  317.921   28.589  215.062   6.8787  215.953   9.7692 -0.8907013 11.94795 
1 1 1  -30    3   38 o  152.444   4.9321  157.181   10.163  172.033   14.973  144.493   13.839  159.091   6.9453  145.798   7.0046 13.29292 9.864209 
1 1 1  -30    3   39 o   87.585   7.3463   54.515   8.3321   62.557   10.865   43.032   12.982   95.863   8.3638   79.307   12.080 16.55575 14.69261 
1 1 1  -30    3   40 o  347.221   6.5634  825.071   29.476  833.239   36.688  810.200   49.505  349.965   7.7361  344.477   10.605 5.487244 13.12673 
1 1 1  -30    3   41 o  398.497   5.8180  1080.66   31.412  1101.62   44.964  1060.68   43.902  402.265   8.2485  394.729   8.2073 7.536224 11.63599 
1 1 1  -30    3   42 o  523.732   6.8495  1870.94   48.612  1873.06   69.003  1868.85   68.494  524.016   9.7173  523.449   9.6559 0.5671387 13.69897 
1 1 1  -30    3   43 o  283.171   5.1089  545.158   19.600  556.525   28.072  534.345   27.379  286.047   7.2420  280.294   7.2081 5.753204 10.21779 
1 1 1  -30    3   44 o  196.620   4.9286  262.962   13.128  259.703   18.741  266.101   18.394  195.413   7.0771  197.828   6.8614 -2.414261 9.857200 
1 1 1  -30    3   45 o  389.229   5.7781  1031.35   30.471  1050.33   43.643  1013.29   42.562  392.714   8.2008  385.743   8.1421 6.971008 11.55626 
1 1 1  -30    3   46 o  319.648   5.3458  695.516   23.152  682.641   32.834  708.247   32.650  316.689   7.6508  322.608   7.4684 -5.919159 10.69164 
1 1 1  -30    3   47 o  133.650   7.4129  129.970   11.817  104.754   21.658  140.659   14.101  123.518   12.939  143.781   7.2372 -20.26384 14.82588 
1 1 1  -30    3   48 o  363.036   7.9679  897.625   39.199   0.0000   0.0000  897.625   39.199  ?   ?   363.036   7.9679      ?      ? 
1 1 1  -30    3   49 o  211.597   5.1125  304.818   14.654  297.516   20.843  311.954   20.606  209.074   7.3566  214.120   7.1015 -5.045715 10.22497 
1 1 1  -30    3   50 o  302.017   5.2872  621.024   21.636  618.729   30.803  623.259   30.398  301.454   7.5403  302.580   7.4135 -1.126099 10.57432 
1 1 1  -30    3   51 o  321.068   5.4069  701.537   23.515  719.351   33.878  684.975   32.665  324.989   7.6924  317.148   7.6004 7.840820 10.81387 
1 1 1  -30    3   52 o  206.125   5.0627  289.248   14.138  287.666   20.186  290.771   19.808  205.560   7.2466  206.690   7.0719 -1.129700 10.12547 
1 1 1  -30    3   53 o  400.163   5.9365  1092.15   32.192  1085.33   45.496  1098.98   45.557  398.906   8.4162  401.420   8.3747 -2.514282 11.87302 
1 1 1  -30    3   54 o  330.638   6.8785  750.211   28.869  755.315   35.216  739.756   50.408  332.894   7.8064  328.381   11.328 4.512939 13.75697 
1 1 1  -30    3   55 o  150.144   5.5436  153.892   11.263  145.670   16.018  161.934   15.841  146.142   8.0880  154.146   7.5835 -8.003799 11.08722 
1 1 1  -30    3   56 o  272.134   7.3108  506.532   26.871  518.600   39.847  496.467   36.391  274.995   10.693  269.273   9.9729 5.722382 14.62161 
1 1 1  -30    3   57 o  222.727   6.4932  340.594   18.211  335.658   32.276  342.899   22.057  221.149   10.770  224.304   7.2565 -3.154877 12.98633 
1 1 1  -30    3   58 o  399.393   5.9692  1089.91   32.306  1083.40   45.792  1096.37   45.584  398.187   8.4863  400.599   8.3969 -2.411774 11.93837 
1 1 1  -30    3   59 o  310.025   6.4466  653.760   25.921  643.569   32.172  672.615   43.762  307.050   7.7319  313.000   10.317 -5.950287 12.89310 
1 1 1  -30    3   60 o  250.199   6.1070  421.804   19.927  405.181   24.778  452.242   33.530  243.629   7.5052  256.770   9.6361 -13.14186 12.21399 
1 1 1  -30    3   61 o  272.252   5.2713  506.253   19.443  503.167   27.758  509.226   27.242  271.410   7.5471  273.093   7.3612 -1.682800 10.54257 
1 1 1  -30    3   62 o  193.855   5.1936  256.857   13.634  252.543   19.556  260.936   19.017  192.235   7.5069  195.474   7.1792 -3.239746 10.38719 
1 1 1  -30    3   63 o   71.448   8.4859   36.324   7.9300   32.169   11.654   39.906   10.822   66.835   13.335   76.060   10.499 -9.224541 16.97187 
1 1 1  -30    3   64 o   93.116   7.9434   60.584   9.4925   58.334   16.091   61.786   11.756   91.437   12.986   94.795   9.1514 -3.357643 15.88685 
1 1 1  -30    3   65 o  260.647   5.2741  464.585   18.612  478.867   27.024  451.696   25.672  264.423   7.5417  256.871   7.3749 7.551422 10.54830 
1 1 1  -30    3   66 o  139.246   7.1311  127.215   12.230  150.948   23.481  118.381   14.326  147.182   11.773  131.310   8.0509 15.87135 14.26226 
1 1 1  -30    3   67 o  201.406   5.1838  278.269   14.141  270.319   20.119  286.030   19.878  198.514   7.4790  204.298   7.1801 -5.784988 10.36768 
1 1 1  -30    3   68 o  118.141   5.9132   96.443   9.4360   91.040   13.641  101.400   13.066  114.864   8.7637  121.419   7.9412 -6.555634 11.82648 
1 1 1  -30    3   69 o  194.363   6.5396  257.487   16.046  250.406   19.329  273.186   28.781  190.864   7.4731  197.862   10.734 -6.997665 13.07928 
1 1 1  -30    3   70 o  264.388   5.3202  479.545   19.013  434.791   26.137  529.847   27.710  251.245   7.6767  277.531   7.3678 -26.28615 10.64032 
1 1 1  -30    3   71 o  145.062   5.5283  145.211   10.787  122.989   14.961  169.277   15.569  133.342   8.2795  156.782   7.3278 -23.44038 11.05656 
1 1 1  -30    3   72 o  155.269   5.3249  166.257   11.199  171.582   16.148  161.322   15.544  157.652   7.5585  152.886   7.5025 4.765396 10.64980 
1 1 1  -30    3   73 o   92.563   6.4985   59.836   8.1430   59.145   11.744   60.476   11.301   91.979   9.4218   93.148   8.9528 -1.168549 12.99697 
1 1 1  -30    3   74 o   88.934   6.4340   55.349   7.7430   51.945   10.933   58.775   10.967   86.104   9.3700   91.763   8.8197 -5.658829 12.86797 
1 1 1  -30    3   75 o   68.418   9.2845   38.696   7.9711   49.926   10.189   20.976   12.798   84.447   8.9033   52.390   16.295 32.05738 18.56890 
1 1 1  -30    3   76 o   45.928   9.9031   16.194   7.1054   21.133   9.1206   8.5684   11.333   52.922   12.847   38.935   15.075 13.98679 19.80621 
1 1 1  -30    3   77 f   64.417   9.4708   31.072   8.7839   10.006   11.952   55.816   12.953   40.573   15.540   88.261   10.830 -47.68762 18.94168 
1 1 1  -30    3   78 o   35.723   10.217   5.6362   7.7053   7.8505   10.994   3.4983   10.803   37.670   14.774   33.776   14.118 3.893902 20.43489 
1 1 1  -30    3   79 o   82.926   8.8345   50.718   9.9183   48.194   13.987   53.270   14.066   80.688   12.792   85.164   12.188 -4.476036 17.66905 
1 1 1  -30    3   80 o   88.324   11.933   57.384   14.282   0.0000   0.0000   57.384   14.282  ?   ?    88.324   11.933      ?      ? 
1 1 1  -30    3   81 o   49.346   15.708   19.415   11.826   0.0000   0.0000   19.415   11.826  ?   ?    49.346   15.708      ?      ? 
1 1 1  -30    4    1 o  192.415   6.5051  251.484   16.962  251.484   16.962   0.0000   0.0000  192.415   6.5051  ?   ?       ?      ? 
1 1 1  -30    4    2 o  134.754   4.5217  124.041   8.1937  116.521   12.143  130.326   11.102  130.960   6.8425  138.548   5.9131 -7.588577 9.043501 
1 1 1  -30    4    3 o  275.259   4.7550  515.404   17.711  496.491   25.423  533.240   24.689  270.323   6.9400  280.195   6.5022 -9.872742 9.510067 
1 1 1  -30    4    4 o  317.900   5.0328  686.286   21.656  695.121   31.485  678.354   29.833  319.821   7.2646  315.978   6.9673 3.843079 10.06569 
1 1 1  -30    4    5 o  195.980   4.5016  260.599   11.922  263.886   17.573  257.794   16.229  197.109   6.5788  194.851   6.1462 2.258499 9.003184 
1 1 1  -30    4    6 o  108.318   5.9798   82.068   8.4962   91.680   11.149   68.755   13.121  116.161   7.0827  100.476   9.6368 15.68472 11.95959 
1 1 1  -30    4    7 o  377.003   7.8898  966.323   40.308  966.323   40.308   0.0000   0.0000  377.003   7.8898  ?   ?       ?      ? 
1 1 1  -30    4    8 o  374.454   7.8509  953.244   39.838  953.244   39.838   0.0000   0.0000  374.454   7.8509  ?   ?       ?      ? 
1 1 1  -30    4    9 o  168.256   5.0386  195.262   10.284  199.044   12.158  185.757   19.277  171.268   5.2385  165.245   8.6086 6.023163 10.07720 
1 1 1  -30    4   10 o  434.575   7.2287  1284.54   40.591  1279.30   50.284  1294.35   68.772  433.668   8.5563  435.483   11.653 -1.815338 14.45730 
1 1 1  -30    4   11 o  467.678   7.5586  1462.65   45.170  1408.79   54.877  1575.80   79.542  455.019   8.8997  480.337   12.220 -25.31827 15.11726 
1 1 1  -30    4   12 o  387.063   6.3266  1022.25   29.223  1025.40   34.078  1013.49   56.807  388.585   6.4715  385.541   10.873 3.044189 12.65311 
1 1 1  -30    4   13 o  615.588   9.2367  2566.14   72.481  2519.00   88.221  2664.04  127.140  607.880   10.710  623.297   15.052 -15.41687 18.47349 
1 1 1  -30    4   14 o  349.176   6.3816  831.630   28.832  836.299   35.860  823.093   48.490  350.792   7.5436  347.560   10.295 3.231659 12.76328 
1 1 1  -30    4   15 o  203.225   5.4846  285.156   14.585  299.400   18.636  262.647   23.428  209.969   6.5497  196.481   8.7991 13.48857 10.96916 
1 1 1  -30    4   16 o  360.447   6.5029  886.696   30.348  892.620   37.785  875.927   50.941  362.390   7.6942  358.504   10.486 3.885406 13.00570 
1 1 1  -30    4   17 o  632.094   9.4447  2683.96   75.681  2598.40   91.361  2871.08  135.104  617.311   10.921  646.877   15.412 -29.56622 18.88937 
1 1 1  -30    4   18 o  389.778   6.5398  1031.75   34.543  1031.75   34.543   0.0000   0.0000  389.778   6.5398  ?   ?       ?      ? 
1 1 1  -30    4   19 o  464.837   7.2908  1468.21   45.926  1468.21   45.926   0.0000   0.0000  464.837   7.2908  ?   ?       ?      ? 
1 1 1  -30    4   20 o  438.931   5.9730  1310.39   35.527  1292.83   50.123  1328.12   50.362  435.969   8.4840  441.893   8.4101 -5.924744 11.94606 
1 1 1  -30    4   21 o  176.514   4.4931  211.811   10.735  203.939   15.351  219.346   15.019  173.290   6.5370  179.739   6.1660 -6.449356 8.986217 
1 1 1  -30    4   22 o  383.228   5.5324  997.698   28.718  1022.14   41.376  974.977   39.893  387.746   7.8744  378.711   7.7733 9.034821 11.06480 
1 1 1  -30    4   23 o  383.504   5.5369  999.779   28.771  1005.61   41.107  994.183   40.282  384.590   7.8874  382.418   7.7730 2.172150 11.07387 
1 1 1  -30    4   24 o   98.281   5.2668   65.545   6.9974   67.066   10.310   64.245   9.5275   99.328   7.6599   97.234   7.2307 2.094337 10.53361 
1 1 1  -30    4   25 o  199.682   4.5725  270.408   12.361  279.253   17.975  262.474   17.025  202.770   6.5417  196.595   6.3903 6.175125 9.144963 
1 1 1  -30    4   26 o  329.173   5.1736  736.441   23.073  716.544   32.553  756.528   32.708  324.694   7.3984  333.653   7.2339 -8.958832 10.34722 
1 1 1  -30    4   27 o  288.136   4.9273  564.019   19.233  566.964   27.581  561.231   26.834  288.859   7.0460  287.413   6.8897 1.446289 9.854637 
1 1 1  -30    4   28 o  129.385   4.8057  113.466   8.4124  118.222   12.332  109.326   11.505  131.909   6.8985  126.860   6.6926 5.049789 9.611478 
1 1 1  -30    4   29 o  206.017   4.6536  287.557   12.975  304.494   18.937  272.572   17.813  211.718   6.6005  200.316   6.5619 11.40221 9.307233 
1 1 1  -30    4   30 o  159.910   5.9483  176.692   11.786  167.233   21.286  180.874   14.153  156.635   10.028  163.186   6.4003 -6.551178 11.89658 
1 1 1  -30    4   31 o  225.425   5.8460  346.906   16.607  342.533   29.427  348.950   20.116  224.206   9.6853  226.643   6.5497 -2.437531 11.69200 
1 1 1  -30    4   32 o  408.289   5.8065  1133.20   32.110  1163.92   46.336  1104.82   44.538  413.596   8.2672  402.981   8.1557 10.61523 11.61298 
1 1 1  -30    4   33 o  273.537   4.9464  508.586   18.329  505.949   26.239  511.099   25.613  272.832   7.0970  274.242   6.8921 -1.409485 9.892811 
1 1 1  -30    4   34 o  264.739   4.9052  475.720   17.584  491.539   25.496  461.370   24.283  268.924   6.9962  260.554   6.8774 8.369873 9.810462 
1 1 1  -30    4   35 o  211.341   4.7473  303.836   13.582  292.455   19.397  314.783   19.023  207.437   6.9003  215.245   6.5218 -7.807953 9.494657 
1 1 1  -30    4   36 o  201.348   5.5920  270.520   14.707  256.959   18.284  295.373   24.753  194.432   6.9395  208.263   8.7708 -13.83083 11.18406 
1 1 1  -30    4   37 o  125.251   7.4729  106.694   12.684  106.694   12.684   0.0000   0.0000  125.251   7.4729  ?   ?       ?      ? 
1 1 1  -30    4   38 o  378.649   7.0329  981.525   33.873  988.315   41.396  967.766   58.927  381.083   8.0159  376.214   11.558 4.869171 14.06587 
1 1 1  -30    4   39 o   80.154   6.5156   43.644   7.0587   48.352   10.285   39.451   9.7050   84.238   9.0101   76.070   9.4145 8.167358 13.03127 
1 1 1  -30    4   40 o  371.768   5.6008  940.735   28.214  929.597   39.990  951.775   39.812  369.563   7.9851  373.972   7.8559 -4.409546 11.20163 
1 1 1  -30    4   41 o  242.055   4.9257  398.190   16.148  404.129   23.291  392.692   22.408  243.781   7.0503  240.328   6.8805 3.453613 9.851329 
1 1 1  -30    4   42 o  353.513   5.5009  850.047   26.342  868.874   37.903  832.458   36.637  357.287   7.8285  349.740   7.7301 7.547760 11.00182 
1 1 1  -30    4   43 o   93.446   6.3272   59.290   7.9851   62.275   11.893   56.839   10.775   95.565   9.1833   91.328   8.7063 4.236450 12.65440 
1 1 1  -30    4   44 o  162.472   5.1313  179.823   11.268  176.045   16.449  183.162   15.466  160.835   7.5472  164.108   6.9543 -3.273285 10.26267 
1 1 1  -30    4   45 o  224.444   6.0853  336.178   17.202  362.641   31.157  324.574   20.632  230.441   9.9773  218.448   6.9698 11.99306 12.17064 
1 1 1  -30    4   46 o  214.807   6.3595  319.270   17.091  302.525   30.342  327.052   20.684  210.341   10.645  219.272   6.9611 -8.930908 12.71894 
1 1 1  -30    4   47 o  146.829   5.5177  147.233   10.929  141.747   16.065  151.960   14.911  144.236   8.2190  149.423   7.3640 -5.187576 11.03539 
1 1 1  -30    4   48 o  151.857   6.4514  158.550   12.342  154.043   21.782  160.682   14.979  150.055   10.712  153.660   7.1933 -3.604904 12.90285 
1 1 1  -30    4   49 o  286.586   5.2250  558.848   20.280  566.918   29.261  551.387   28.134  288.559   7.4828  284.613   7.2945 3.945923 10.45001 
1 1 1  -30    4   50 o  253.918   5.1510  438.689   17.706  411.401   24.743  467.324   25.346  245.807   7.4282  262.030   7.1380 -16.22351 10.30193 
1 1 1  -30    4   51 o  256.053   7.1443  448.833   24.720  442.005   36.183  454.810   33.853  254.128   10.507  257.977   9.6836 -3.849121 14.28861 
1 1 1  -30    4   52 o  176.156   6.3210  203.596   14.025  234.184   25.737  190.677   16.726  184.988   10.267  167.323   7.3767 17.66483 12.64198 
1 1 1  -30    4   53 o  159.672   5.2870  173.542   11.434  178.431   16.501  169.027   15.858  161.828   7.5244  157.517   7.4293 4.311020 10.57404 
1 1 1  -30    4   54 o  171.293   6.8157  207.140   14.573  218.699   17.770  183.400   25.467  179.167   7.3190  163.418   11.500 15.74876 13.63138 
1 1 1  -30    4   55 o  156.747   5.3198  167.553   11.295  163.973   16.085  171.036   15.865  155.078   7.6538  158.416   7.3904 -3.338242 10.63953 
1 1 1  -30    4   56 o  255.634   5.1675  445.548   17.897  439.437   25.487  451.493   25.136  253.883   7.4080  257.385   7.2066 -3.501678 10.33504 
1 1 1  -30    4   57 o  161.408   5.3673  177.774   11.736  175.609   16.745  179.865   16.454  160.425   7.7023  162.390   7.4769 -1.964890 10.73451 
1 1 1  -30    4   58 o  128.605   6.6428  114.290   11.242  117.685   14.408  109.005   17.975  131.249   8.1006  125.961   10.530 5.288147 13.28558 
1 1 1  -30    4   59 o  258.066   5.1918  453.833   18.143  472.859   26.287  436.528   25.071  263.216   7.3697  252.916   7.3149 10.30043 10.38366 
1 1 1  -30    4   60 o  118.227   5.9413   95.915   9.4853   92.106   13.836   99.292   13.028  115.948   8.8060  120.505   7.9782 -4.556938 11.88260 
1 1 1  -30    4   61 o  109.970   6.1395   82.542   9.1302   89.346   13.417   76.675   12.460  114.174   8.6718  105.766   8.6934 8.408478 12.27907 
1 1 1  -30    4   62 o  268.320   5.2334  491.611   19.017  509.842   27.505  474.915   26.322  273.070   7.4327  263.571   7.3694 9.498962 10.46677 
1 1 1  -30    4   63 o  312.920   5.4639  670.757   23.158  650.093   32.854  691.164   32.649  308.067   7.8698  317.773   7.5816 -9.706207 10.92770 
1 1 1  -30    4   64 o  210.180   7.1825  302.256   20.457   0.0000   0.0000  302.256   20.457  ?   ?   210.180   7.1825      ?      ? 
1 1 1  -30    4   65 o  161.749   6.9607  174.857   13.821  195.007   26.343  167.204   16.235  167.348   11.616  156.150   7.6725 11.19882 13.92138 
1 1 1  -30    4   66 o  184.636   5.1923  233.261   12.978  245.681   18.862  222.094   17.885  189.290   7.3532  179.981   7.3329 9.309952 10.38466 
1 1 1  -30    4   67 o   76.250   7.6000   40.671   7.8128   37.149   11.258   43.942   10.851   72.924   11.392   79.575   10.063 -6.650772 15.20002 
1 1 1  -30    4   68 o  127.071   5.6662  111.522   9.7280  105.629   14.053  116.946   13.480  123.741   8.3804  130.400   7.6284 -6.658897 11.33243 
1 1 1  -30    4   69 o   67.078   10.950   31.691   9.0776   28.669   10.767   39.119   16.879   62.503   13.130   71.652   17.528 -9.148964 21.90021 
1 1 1  -30    4   70 o   85.627   6.7957   51.063   7.8837   51.323   11.281   50.815   11.022   85.818   9.7002   85.436   9.5202 0.3824234 13.59147 
1 1 1  -30    4   71 o  148.893   5.3245  153.027   10.740  148.945   15.186  157.112   15.192  146.870   7.6302  150.917   7.4283 -4.047058 10.64892 
1 1 1  -30    4   72 o   94.955   6.3147   62.819   8.1241   62.713   11.379   62.930   11.603   94.897   8.8483   95.013   9.0117 -0.1160202 12.62940 
1 1 1  -30    4   73 o   59.794   8.6298   26.171   6.8730   21.249   9.6605   31.216   9.7805   53.202   13.405   66.386   10.872 -13.18444 17.25968 
1 1 1  -30    4   74 o   40.122   9.7442   10.774   6.9659   16.460   8.9322   1.9471   11.129   46.884   13.393   33.360   14.157 13.52380 19.48838 
1 1 1  -30    4   75 o  121.089   6.4525  104.527   10.229  109.562   13.102   96.667   16.369  125.503   7.7039  116.675   10.353 8.828423 12.90501 
1 1 1  -30    4   76 o  114.800   6.4365   89.705   9.7741   79.165   12.302  107.744   16.095  106.232   8.5458  123.367   9.6274 -17.13554 12.87309 
1 1 1  -30    4   77 o   60.771   10.553   28.556   8.7304   36.561   12.868   21.728   11.884   68.916   14.249   52.626   15.571 16.28968 21.10654 
1 1 1  -30    4   78 o   41.941   10.085   10.407   8.0214  -2.4633   11.540   22.438   11.158   30.480   13.630   53.403   14.869 -22.92308 20.17079 
1 1 1  -30    4   79 o  119.783   10.174  103.194   16.515   0.0000   0.0000  103.194   16.515  ?   ?   119.783   10.174      ?      ? 
1 1 1  -30    4   80 o   65.106   13.981   33.151   11.967   0.0000   0.0000   33.151   11.967  ?   ?    65.106   13.981      ?      ? 
1 1 1  -30    4   81 o   77.389   12.275   44.623   12.873   0.0000   0.0000   44.623   12.873  ?   ?    77.389   12.275      ?      ? 
1 1 1  -30    5    1 o  132.592   5.7586  119.765   9.0127  119.304   17.838  119.923   10.444  132.285   9.9508  132.898   5.7990 -0.6126556 11.51725 
1 1 1  -30    5    2 o  275.215   5.9383  520.458   20.278  502.838   36.737  528.179   24.318  271.586   9.9820  278.843   6.4355 -7.257355 11.87667 
1 1 1  -30    5    3 o  192.508   9.5201  252.490   24.836  252.490   24.836   0.0000   0.0000  192.508   9.5201  ?   ?       ?      ? 
1 1 1  -30    5    4 o  267.588   4.7517  485.730   17.165  494.867   25.509  478.169   23.205  269.856   6.9756  265.320   6.4541 4.536102 9.503378 
1 1 1  -30    5    5 o  147.197   4.8351  149.021   8.7625  151.632   10.456  142.864   16.059  149.477   5.1621  144.917   8.1772 4.559814 9.670266 
1 1 1  -30    5    6 o  271.638   5.2233  486.596   17.015  470.346   19.725  533.847   33.636  263.233   5.5296  280.043   8.8632 -16.81073 10.44666 
1 1 1  -30    5    7 o  343.403   5.8271  780.390   23.740  758.150   27.388  847.593   47.608  334.146   6.0483  352.661   9.9619 -18.51505 11.65428 
1 1 1  -30    5    8 o  405.608   6.4121  1095.48   30.733  1070.78   35.430  1170.54   61.765  397.034   6.5851  414.182   11.004 -17.14807 12.82422 
1 1 1  -30    5    9 o  262.675   5.2366  459.943   16.583  449.571   19.331  488.849   32.271  257.358   5.5429  267.992   8.8861 -10.63400 10.47315 
1 1 1  -30    5   10 o  315.815   5.6544  672.807   21.413  666.611   24.960  690.073   41.670  313.349   5.8781  318.280   9.6612 -4.930206 11.30887 
1 1 1  -30    5   11 o  848.566   11.423  4857.49  112.427  4771.10  128.640  5136.87  231.335  836.058   11.354  861.075   19.825 -25.01758 22.84640 
1 1 1  -30    5   12 o  230.450   6.8754  360.809   21.471  360.809   21.471   0.0000   0.0000  230.450   6.8754  ?   ?       ?      ? 
1 1 1  -30    5   13 o  293.846   7.1908  586.769   28.634  586.769   28.634   0.0000   0.0000  293.846   7.1908  ?   ?       ?      ? 
1 1 1  -30    5   14 o  174.170   4.9233  201.285   10.577  194.809   12.487  217.735   19.901  169.419   5.4390  178.920   8.2080 -9.500092 9.846509 
1 1 1  -30    5   15 o  595.422   8.4742  2419.02   59.688  2416.15   69.217  2427.34  117.880  595.911   8.5713  594.933   14.621 0.9776001 16.94850 
1 1 1  -30    5   16 o  172.542   5.0822  205.099   10.812  209.209   12.923  195.514   19.735  175.570   5.4318  169.513   8.5913 6.056732 10.16438 
1 1 1  -30    5   17 o  310.347   5.6745  654.475   21.258  653.854   24.927  656.130   40.704  310.335   5.9273  310.359   9.6781 -0.2426147E-01 11.34892 
1 1 1  -30    5   18 o  240.124   5.2104  388.109   15.279  383.259   17.995  400.635   28.919  237.620   5.5885  242.628   8.7955 -5.008301 10.42076 
1 1 1  -30    5   19 o  843.246   11.405  4853.81  130.327  4853.81  130.327   0.0000   0.0000  843.246   11.405  ?   ?       ?      ? 
1 1 1  -30    5   20 o  311.596   5.9816  659.219   25.258  659.219   25.258   0.0000   0.0000  311.596   5.9816  ?   ?       ?      ? 
1 1 1  -30    5   21 o  271.130   5.4721  504.415   18.012  510.333   21.264  489.386   33.888  274.182   5.7231  268.077   9.3284 6.105316 10.94411 
1 1 1  -30    5   22 f  406.032   5.7140  1121.19   31.437  1127.79   44.852  1114.82   44.074  407.196   8.1282  404.867   8.0332 2.329681 11.42808 
1 1 1  -30    5   23 o  349.811   5.2994  830.350   25.097  866.950   36.487  797.490   34.574  357.106   7.5398  342.516   7.4487 14.59061 10.59871 
1 1 1  -30    5   24 o  269.703   4.8091  494.098   17.568  497.546   25.286  490.881   24.425  270.602   6.8956  268.804   6.7052 1.798035 9.618162 
1 1 1  -30    5   25 o  147.091   4.6221  147.147   9.1920  144.130   13.384  149.840   12.646  145.649   6.7809  148.534   6.2829 -2.885590 9.244197 
1 1 1  -30    5   26 o  271.236   4.8219  499.920   17.715  498.451   25.418  501.307   24.704  270.837   6.9256  271.636   6.7111 -0.7987671 9.643798 
1 1 1  -30    5   27 o  210.132   4.6099  299.723   13.115  305.071   19.033  294.888   18.096  211.906   6.6280  208.357   6.4090 3.548584 9.219834 
1 1 1  -30    5   28 o  286.991   4.9429  559.444   19.212  568.178   27.737  551.390   26.636  289.132   7.0791  284.850   6.9003 4.281769 9.885777 
1 1 1  -30    5   29 o  131.452   4.8761  116.881   8.6650  125.892   12.802  109.263   11.771  136.104   6.9411  126.802   6.8503 9.301918 9.752199 
1 1 1  -30    5   30 o  338.601   5.2913  779.758   24.273  763.111   34.413  796.241   34.243  334.988   7.5806  342.214   7.3841 -7.226227 10.58256 
1 1 1  -30    5   31 o  183.277   5.8819  230.729   13.515  222.956   24.039  234.321   16.342  180.841   9.8092  185.713   6.4936 -4.872330 11.76379 
1 1 1  -30    5   32 o  214.208   6.5879  314.005   19.031  294.745   27.757  331.091   26.143  207.911   9.8518  220.504   8.7490 -12.59286 13.17586 
1 1 1  -30    5   33 o  257.309   5.8036  450.624   19.458  450.679   24.379  450.529   32.297  257.488   6.9868  257.130   9.2688 0.3573914 11.60720 
1 1 1  -30    5   34 f  156.226   4.9088  165.929   10.390  162.094   14.692  169.765   14.696  154.415   7.0212  158.038   6.8620 -3.623138 9.817545 
1 1 1  -30    5   35 o  321.313   5.2361  702.073   22.792  705.500   32.673  698.824   31.810  322.063   7.4862  320.562   7.3228 1.501068 10.47217 
1 1 1  -30    5   36 o  207.032   4.8121  291.872   13.476  278.561   19.339  304.438   18.790  202.411   7.0506  211.653   6.5510 -9.242493 9.624248 
1 1 1  -30    5   37 o  319.715   6.5158  691.355   26.471  681.405   32.147  712.309   46.652  316.493   7.4954  322.936   10.660 -6.443420 13.03162 
1 1 1  -30    5   38 o  235.354   6.1231  376.100   18.309  373.778   22.275  380.938   32.146  234.456   7.0108  236.253   10.041 -1.796570 12.24610 
1 1 1  -30    5   39 o  302.785   5.1709  623.193   21.206  636.756   30.584  610.636   29.430  305.945   7.3769  299.625   7.2481 6.320190 10.34183 
1 1 1  -30    5   40 o  254.590   4.9794  441.059   17.169  430.182   24.499  451.556   24.068  251.484   7.1888  257.696   6.8920 -6.211960 9.958863 
1 1 1  -30    5   41 o  255.323   5.0031  443.579   17.302  436.268   24.739  450.578   24.206  253.245   7.2087  257.402   6.9396 -4.156967 10.00612 
1 1 1  -30    5   42 o  180.672   6.0711  217.133   13.851  237.016   25.031  208.357   16.629  186.319   9.9136  175.024   7.0110 11.29459 12.14222 
1 1 1  -30    5   43 o  329.409   6.6376  737.128   27.623  749.413   49.057  731.425   33.426  331.001   10.937  327.818   7.5243 3.182434 13.27516 
1 1 1  -30    5   44 o  367.507   5.6851  919.859   28.305  922.872   40.526  916.990   39.552  368.074   8.1248  366.939   7.9540 1.134308 11.37011 
1 1 1  -30    5   45 o  148.495   5.5587  150.242   11.158  149.192   16.338  151.159   15.275  147.981   8.1472  149.010   7.5643 -1.028519 11.11738 
1 1 1  -30    5   46 o  497.552   9.4073  1700.50   63.353  1741.24   92.278  1664.17   87.133  503.053   13.536  492.050   13.067 11.00330 18.81456 
1 1 1  -30    5   47 o  175.382   6.5203  218.055   14.219  188.544   24.852  232.416   17.337  165.939   11.052  184.824   6.9220 -18.88535 13.04056 
1 1 1  -30    5   48 o  168.707   6.3946  195.752   13.480  190.306   24.150  198.216   16.246  166.748   10.687  170.665   7.0244 -3.916779 12.78919 
1 1 1  -30    5   49 o  316.548   5.3944  680.615   23.100  714.843   33.914  650.994   31.550  323.929   7.7259  309.166   7.5305 14.76291 10.78876 
1 1 1  -30    5   50 o  383.833   5.8032  1004.04   30.173  1022.28   43.431  987.025   41.950  387.180   8.2775  380.486   8.1359 6.694275 11.60648 
1 1 1  -30    5   51 o  265.437   5.1557  479.969   18.538  475.817   26.525  483.934   25.919  264.293   7.4060  266.581   7.1746 -2.288177 10.31137 
1 1 1  -30    5   52 o  205.968   5.0623  289.069   14.119  284.821   20.263  293.079   19.685  204.473   7.3129  207.463   7.0019 -2.989349 10.12450 
1 1 1  -30    5   53 o  175.970   5.1468  210.974   12.266  211.340   17.651  210.632   17.059  176.101   7.3965  175.838   7.1590 0.2632446 10.29365 
1 1 1  -30    5   54 o   65.990   10.844   32.344   9.2818   35.656   11.294   25.452   16.291   72.011   11.574   59.968   18.341 12.04266 21.68741 
1 1 1  -30    5   55 o  318.624   5.4583  692.605   23.564  676.649   33.194  708.815   33.457  314.908   7.7785  322.340   7.6593 -7.432312 10.91652 
1 1 1  -30    5   56 o  237.431   6.0727  387.686   18.874  394.497   23.913  376.431   30.739  240.501   7.3373  234.361   9.6787 6.139786 12.14550 
1 1 1  -30    5   57 o  197.356   5.1702  265.657   13.823  268.963   19.851  262.545   19.259  198.535   7.3784  196.177   7.2445 2.358276 10.34036 
1 1 1  -30    5   58 o  206.026   5.1385  289.389   14.331  296.212   20.851  283.281   19.729  208.300   7.3866  203.752   7.1452 4.548264 10.27698 
1 1 1  -30    5   59 o  147.303   5.4729  149.196   10.842  129.247   15.423  168.685   15.244  137.417   8.2822  157.189   7.1563 -19.77196 10.94572 
1 1 1  -30    5   60 o  272.829   5.2360  508.542   19.351  515.103   27.818  502.391   26.936  274.510   7.4781  271.148   7.3307 3.362030 10.47193 
1 1 1  -30    5   61 o  138.185   5.5531  130.436   10.386  136.863   15.156  124.748   14.260  141.376   7.9110  134.994   7.7950 6.381653 11.10616 
1 1 1  -30    5   62 o  225.242   5.2106  346.933   15.885  351.364   23.106  342.962   21.875  226.558   7.5258  223.927   7.2086 2.631027 10.42123 
1 1 1  -30    5   63 o  220.570   7.1614  332.945   21.406   0.0000   0.0000  332.945   21.406  ?   ?   220.570   7.1614      ?      ? 
1 1 1  -30    5   64 o  266.486   6.3720  485.429   21.603  500.914   37.953  478.007   26.275  268.854   10.417  264.119   7.3412 4.735138 12.74397 
1 1 1  -30    5   65 o  110.559   6.0319   83.955   9.0243   88.725   13.193   79.761   12.371  113.492   8.5783  107.626   8.4822 5.866173 12.06378 
1 1 1  -30    5   66 f  189.511   5.1107  246.452   13.122  246.087   18.745  246.803   18.375  189.348   7.3054  189.675   7.1489 -0.3270416 10.22130 
1 1 1  -30    5   67 o  149.230   5.3104  153.218   10.733  149.414   15.315  156.889   15.045  147.362   7.6690  151.098   7.3478 -3.735672 10.62089 
1 1 1  -30    5   68 o   80.483   7.1516   45.166   7.7999   45.213   11.055   45.119   11.007   80.521   10.131   80.445   10.097 0.7633209E-01 14.30328 
1 1 1  -30    5   69 o   47.948   11.345   14.359   8.0578   11.062   9.5361   22.589   15.067   40.731   14.137   55.166   17.748 -14.43466 22.69036 
1 1 1  -30    5   70 o   49.169   9.5302   17.729   6.7581   23.984   9.6775   11.775   9.4418   56.926   12.850   41.413   14.078 15.51260 19.06044 
1 1 1  -30    5   71 o   70.660   7.7267   35.723   7.1933   40.425   10.296   31.240   10.054   75.888   10.012   65.432   11.771 10.45605 15.45343 
1 1 1  -30    5   72 o  137.564   5.3265  131.043   9.9289  131.142   14.124  130.946   13.961  137.599   7.5747  137.529   7.4907 0.6985474E-01 10.65302 
1 1 1  -30    5   73 o   88.693   7.4880   56.677   8.6445   59.423   10.994   52.229   13.992   92.166   8.8021   85.219   12.116 6.947197 14.97594 
1 1 1  -30    5   74 o   90.483   7.0987   55.523   8.5138   45.673   10.785   71.809   13.868   80.342   9.9064  100.625   10.170 -20.28328 14.19746 
1 1 1  -30    5   75 o   98.796   7.0166   69.739   9.0937   71.216   11.593   67.378   14.661  100.770   8.4897   96.823   11.174 3.946503 14.03324 
1 1 1  -30    5   76 o   87.790   7.4324   56.080   8.5878   59.588   11.156   50.976   13.454   91.869   8.9611   83.712   11.860 8.156937 14.86478 
1 1 1  -30    5   77 o  109.485   7.7162   86.689   11.415   85.784   16.725   87.478   15.618  108.666   11.357  110.305   10.448 -1.639717 15.43242 
1 1 1  -30    5   78 o  103.377   10.700   77.343   14.990   0.0000   0.0000   77.343   14.990  ?   ?   103.377   10.700      ?      ? 
1 1 1  -30    5   79 o   71.757   13.542   39.778   12.686   0.0000   0.0000   39.778   12.686  ?   ?    71.757   13.542      ?      ? 
1 1 1  -30    5   80 o   61.307   14.451   29.900   11.810   0.0000   0.0000   29.900   11.810  ?   ?    61.307   14.451      ?      ? 
1 1 1  -30    6    1 o  266.108   4.6644  480.534   16.744  488.142   24.985  474.332   22.559  267.983   6.8801  264.233   6.3001 3.750458 9.328876 
1 1 1  -30    6    2 o  185.193   5.3205  230.799   12.984  223.157   16.412  243.584   21.228  181.212   6.6832  189.175   8.2806 -7.962692 10.64108 
1 1 1  -30    6    3 o  183.608   5.4100  229.035   13.067  228.203   16.583  230.397   21.224  183.253   6.6776  183.964   8.5135 -0.7109833 10.81991 
1 1 1  -30    6    4 o  301.770   5.4627  621.215   19.936  623.430   23.431  615.405   37.944  303.012   5.7061  300.527   9.3170 2.484039 10.92545 
1 1 1  -30    6    5 o  359.539   5.9436  874.025   25.620  867.406   29.875  892.420   49.807  357.358   6.1692  361.719   10.161 -4.360535 11.88713 
1 1 1  -30    6    6 o  232.005   4.9809  366.116   14.144  366.457   16.739  365.266   26.448  232.351   5.3163  231.658   8.4247 0.6923676 9.961879 
1 1 1  -30    6    7 o  229.224   4.9584  354.230   13.904  350.457   16.403  363.865   26.210  227.223   5.3271  231.225   8.3646 -4.002548 9.916837 
1 1 1  -30    6    8 o  396.671   6.3309  1071.14   30.091  1070.72   35.140  1072.29   58.260  396.991   6.5319  396.352   10.847 0.6398010 12.66188 
1 1 1  -30    6    9 o  184.838   4.8291  229.607   11.053  225.960   13.133  238.464   20.465  182.455   5.3117  187.221   8.0665 -4.765533 9.658231 
1 1 1  -30    6   10 o  450.257   6.8390  1350.46   36.377  1319.19   41.927  1445.66   73.159  440.568   7.0226  459.945   11.738 -19.37720 13.67808 
1 1 1  -30    6   11 o  323.719   5.6786  705.864   22.143  697.703   25.865  728.254   42.842  320.540   5.9545  326.898   9.6711 -6.357300 11.35725 
1 1 1  -30    6   12 o  318.636   5.6515  685.101   21.715  678.591   25.395  702.807   41.882  316.124   5.9279  321.148   9.6238 -5.023560 11.30295 
1 1 1  -30    6   13 o  210.617   4.9601  297.938   12.869  293.112   15.234  309.965   24.051  207.802   5.4096  213.431   8.3154 -5.629333 9.920205 
1 1 1  -30    6   14 o  532.764   8.2843  1928.61   56.854  1904.95   70.056  1974.25   97.306  528.681   9.7784  536.847   13.375 -8.166626 16.56856 
1 1 1  -30    6   15 o  160.856   5.5776  179.067   11.923  197.245   15.932  155.927   17.976  170.370   6.9007  151.343   8.7647 19.02698 11.15524 
1 1 1  -30    6   16 o  536.568   7.8037  1936.24   49.390  1906.83   56.992  2024.92   98.981  529.468   7.9431  543.667   13.435 -14.19855 15.60733 
1 1 1  -30    6   17 o  218.356   5.4997  317.972   15.834  298.743   19.934  350.845   26.065  209.660   7.0162  227.052   8.4712 -17.39142 10.99947 
1 1 1  -30    6   18 o  316.510   7.4938  681.129   32.142  681.129   32.142   0.0000   0.0000  316.510   7.4938  ?   ?       ?      ? 
1 1 1  -30    6   19 o  319.916   5.7845  701.169   22.452  707.323   26.475  685.412   42.364  322.731   6.0536  317.101   9.8587 5.630188 11.56896 
1 1 1  -30    6   20 o  448.885   7.1523  1369.63   43.507  1369.63   43.507   0.0000   0.0000  448.885   7.1523  ?   ?       ?      ? 
1 1 1  -30    6   21 o  183.041   5.5838  227.455   13.850  227.455   13.850   0.0000   0.0000  183.041   5.5838  ?   ?       ?      ? 
1 1 1  -30    6   22 o  397.198   6.4525  1079.15   30.825  1084.61   36.128  1064.54   59.107  399.533   6.6727  394.863   11.046 4.670197 12.90505 
1 1 1  -30    6   23 o  231.564   5.2052  362.867   14.818  360.543   17.558  368.624   27.627  230.445   5.6223  232.682   8.7615 -2.236908 10.41033 
1 1 1  -30    6   24 o  233.002   4.6725  368.882   14.745  368.689   21.220  369.061   20.503  232.932   6.7225  233.072   6.4915 -0.1401367 9.345095 
1 1 1  -30    6   25 o  364.069   5.4252  900.473   26.747  927.770   38.731  875.587   36.981  369.325   7.7387  358.812   7.6055 10.51340 10.85035 
1 1 1  -30    6   26 o  312.250   6.0990  663.501   24.768  662.687   30.945  664.952   41.313  312.194   7.3146  312.306   9.7616 -0.1112976 12.19798 
1 1 1  -30    6   27 o  201.670   5.4546  274.756   14.443  269.194   18.202  284.212   23.732  199.025   6.7488  204.315   8.5712 -5.289932 10.90927 
1 1 1  -30    6   28 o  189.926   5.4579  243.043   13.650  235.850   17.248  255.100   22.331  186.282   6.8325  193.570   8.5130 -7.287842 10.91580 
1 1 1  -30    6   29 o  271.628   5.8319  502.055   20.659  501.660   25.908  502.745   34.234  271.649   7.0380  271.607   9.3011 0.4211426E-01 11.66381 
1 1 1  -30    6   30 o  244.958   4.7897  408.055   15.891  398.474   22.672  417.308   22.279  242.114   6.9101  247.801   6.6345 -5.687119 9.579463 
1 1 1  -30    6   31 f  238.037   5.9397  375.057   17.606  412.941   32.704  359.597   20.892  246.056   9.8080  230.018   6.7025 16.03853 11.87942 
1 1 1  -30    6   32 o  449.216   7.6217  1384.21   43.464  1361.47   75.839  1395.34   53.039  445.812   12.553  452.619   8.6473 -6.806488 15.24339 
1 1 1  -30    6   33 o  256.279   4.9040  446.183   17.015  454.272   24.690  438.866   23.482  258.475   7.0488  254.083   6.8198 4.392120 9.807930 
1 1 1  -30    6   34 o  320.120   5.2329  697.094   22.692  696.765   32.544  697.405   31.657  320.029   7.5040  320.211   7.2954 -0.1825256 10.46580 
1 1 1  -30    6   35 o  228.311   4.8508  353.231   14.981  374.543   22.006  334.822   20.452  234.702   6.9190  221.921   6.8007 12.78087 9.701621 
1 1 1  -30    6   36 o  426.777   6.0131  1239.54   34.755  1273.53   50.251  1208.36   48.119  432.361   8.5765  421.193   8.4306 11.16891 12.02627 
1 1 1  -30    6   37 o  140.777   5.1510  134.591   9.8047  138.093   14.429  131.587   13.364  142.461   7.4742  139.094   7.0900 3.367050 10.30200 
1 1 1  -30    6   38 o  163.184   7.2773  181.227   16.045  162.757   22.031  202.089   23.414  154.331   10.534  172.036   10.043 -17.70583 14.55463 
1 1 1  -30    6   39 o  312.593   6.4793  673.965   25.753  644.141   44.464  689.020   31.591  306.963   10.689  318.223   7.3258 -11.26019 12.95853 
1 1 1  -30    6   40 o  247.124   6.1578  412.488   19.156  426.560   34.393  406.159   23.065  249.885   10.157  244.363   6.9652 5.521652 12.31554 
1 1 1  -30    6   41 o  284.680   6.1861  551.655   23.196  548.848   29.490  556.209   37.566  283.935   7.6642  285.424   9.7124 -1.488708 12.37213 
1 1 1  -30    6   42 o  239.205   6.2368  368.381   18.552  445.394   35.187  338.731   21.833  255.300   10.171  223.110   7.2213 32.18997 12.47360 
1 1 1  -30    6   43 o  122.714   5.7784  102.267   9.5636  105.951   14.340   99.315   12.835  124.671   8.4880  120.757   7.8432 3.914413 11.55689 
1 1 1  -30    6   44 o  158.806   5.1985  172.445   11.132  161.309   16.226  182.348   15.301  153.896   7.7802  163.715   6.8968 -9.819260 10.39696 
1 1 1  -30    6   45 o  215.166   5.0088  314.502   14.583  325.020   21.333  305.276   19.980  218.521   7.2041  211.811   6.9609 6.709259 10.01765 
1 1 1  -30    6   46 o  343.151   5.4957  802.146   25.545  803.435   36.687  800.934   35.589  343.392   7.8839  342.910   7.6586 0.4813538 10.99137 
1 1 1  -30    6   47 o  189.024   5.0771  243.867   12.972  229.598   18.633  257.284   18.069  183.606   7.4890  194.441   6.8575 -10.83554 10.15428 
1 1 1  -30    6   48 o  169.030   6.3127  196.713   13.409  190.562   23.753  199.590   16.246  166.829   10.506  171.231   7.0012 -4.402084 12.62547 
1 1 1  -30    6   49 o  257.491   5.1039  451.868   17.795  441.012   25.488  462.192   24.855  254.439   7.3921  260.542   7.0396 -6.103134 10.20778 
1 1 1  -30    6   50 o  125.812   5.6022  107.918   9.5254  108.207   14.004  107.669   12.995  125.940   8.2055  125.685   7.6295 0.2553711 11.20448 
1 1 1  -30    6   51 o   83.864   7.0221   48.158   7.9558   48.105   11.714   48.203   10.840   83.787   10.316   83.941   9.5293 -0.1542206 14.04410 
1 1 1  -30    6   52 o  134.000   5.6004  123.504   10.082  107.841   14.517  138.100   14.014  125.652   8.5254  142.348   7.2648 -16.69625 11.20088 
1 1 1  -30    6   53 o  190.800   6.0501  250.061   15.143  254.094   19.236  243.490   24.554  193.044   7.3532  188.556   9.6096 4.488129 12.10016 
1 1 1  -30    6   54 o  126.569   8.2635  109.453   14.173  109.453   14.173   0.0000   0.0000  126.569   8.2635  ?   ?       ?      ? 
1 1 1  -30    6   55 o   90.789   6.8002   56.896   8.3088   51.401   12.054   61.870   11.469   86.508   10.282   95.070   8.9021 -8.562363 13.60041 
1 1 1  -30    6   56 o  100.276   6.3767   68.723   8.6488   71.574   12.712   66.267   11.801  102.187   9.1796   98.365   8.8535 3.821976 12.75340 
1 1 1  -30    6   57 o  205.717   5.1702  288.023   14.385  304.460   21.170  273.926   19.606  211.132   7.3993  200.302   7.2231 10.82954 10.34041 
1 1 1  -30    6   58 o  304.194   5.3841  632.670   22.186  632.247   31.802  633.071   30.967  304.057   7.7183  304.330   7.5087 -0.2731628 10.76814 
1 1 1  -30    6   59 o  128.316   5.7467  113.528   9.9240  101.204   14.297  124.986   13.786  121.453   8.6869  135.180   7.5256 -13.72717 11.49334 
1 1 1  -30    6   60 o  171.018   5.3353  200.460   12.318  196.723   18.128  203.665   16.789  169.454   7.8945  172.582   7.1789 -3.128143 10.67052 
1 1 1  -30    6   61 f  168.642   6.7326  194.412   14.014  200.011   25.983  192.115   16.642  169.756   11.295  167.528   7.3304 2.227325 13.46527 
1 1 1  -30    6   62 o  120.419   6.0742   99.380   9.8767  103.820   14.719   95.742   13.321  122.804   8.8445  118.035   8.3281 4.768387 12.14840 
1 1 1  -30    6   63 o  311.378   6.6288  666.699   26.209  678.137   46.042  661.217   31.877  312.321   10.879  310.434   7.5775 1.886505 13.25752 
1 1 1  -30    6   64 o  125.191   5.8008  108.008   9.7886  106.619   14.561  109.154   13.222  124.348   8.6411  126.034   7.7415 -1.686012 11.60170 
1 1 1  -30    6   65 o  150.599   5.4112  156.282   11.017  149.748   15.913  162.297   15.269  147.478   7.9623  153.720   7.3298 -6.241364 10.82239 
1 1 1  -30    6   66 o  105.141   6.1677   76.938   8.7301   69.343   12.617   83.916   12.092   99.981   9.3121  110.301   8.0900 -10.32011 12.33542 
1 1 1  -30    6   67 o  113.964   5.8753   90.222   9.0282   82.964   13.050   96.885   12.503  109.407   8.8018  118.520   7.7849 -9.112991 11.75059 
1 1 1  -30    6   68 o  152.452   6.7609  164.638   13.023  169.677   15.945  154.540   22.572  156.844   7.5021  148.061   11.250 8.782501 13.52177 
1 1 1  -30    6   69 o   63.476   9.9301   35.593   8.6945   47.339   10.557   10.832   15.328   82.326   9.4629   44.626   17.461 37.70028 19.86012 
1 1 1  -30    6   70 o   58.622   8.7721   25.128   6.9023   31.683   9.9223   18.981   9.6080   66.910   10.943   50.334   13.713 16.57626 17.54428 
1 1 1  -30    6   71 o   82.705   8.4005   51.648   8.5529   57.453   10.821   41.985   13.961   90.688   8.8052   74.723   14.309 15.96524 16.80104 
1 1 1  -30    6   72 o   70.261   9.0618   37.799   7.9880   41.824   10.112   31.119   13.028   77.025   9.6876   63.498   15.317 13.52709 18.12351 
1 1 1  -30    6   73 o   92.735   7.2918   61.134   8.8864   61.129   11.293   61.143   14.401   93.273   8.9342   92.196   11.527 1.076591 14.58362 
1 1 1  -30    6   74 o  161.338   6.1138  181.535   12.946  177.332   16.319  188.673   21.267  159.527   7.5486  163.148   9.6193 -3.621780 12.22754 
1 1 1  -30    6   75 o   94.263   7.2213   63.916   8.9377   65.147   11.408   61.959   14.382   96.104   8.7599   92.423   11.483 3.680450 14.44265 
1 1 1  -30    6   76 o  132.903   7.1950  126.836   12.934  124.969   18.774  128.523   17.845  131.718   10.518  134.088   9.8207 -2.370178 14.38994 
1 1 1  -30    6   77 o   46.392   15.302   16.638   11.165   0.0000   0.0000   16.638   11.165  ?   ?    46.392   15.302      ?      ? 
1 1 1  -30    6   78 o  127.870   10.127  118.023   17.548   0.0000   0.0000  118.023   17.548  ?   ?   127.870   10.127      ?      ? 
1 1 1  -30    6   79 o   72.419   13.349   40.596   12.618   0.0000   0.0000   40.596   12.618  ?   ?    72.419   13.349      ?      ? 
1 1 1  -30    6   80 o   84.519   12.002   53.275   13.746   0.0000   0.0000   53.275   13.746  ?   ?    84.519   12.002      ?      ? 
1 1 1  -30    7    1 o  159.310   4.3881  172.251   9.2820  173.417   14.698  171.478   11.971  159.714   6.7908  158.906   5.5592 0.8078003 8.776133 
1 1 1  -30    7    2 o  302.737   4.9123  624.576   20.075  604.694   29.440  641.857   27.446  298.171   7.2860  307.303   6.5908 -9.131836 9.824684 
1 1 1  -30    7    3 o  113.542   4.6757   85.886   6.7945   82.549   8.2634   92.850   11.938  110.258   5.5305  116.826   7.5407 -6.568199 9.351446 
1 1 1  -30    7    4 o  404.812   6.3045  1079.11   30.141  1042.30   34.651  1193.56   61.101  391.625   6.5292  418.000   10.787 -26.37482 12.60896 
1 1 1  -30    7    5 o  219.042   5.2518  325.719   15.589  325.719   15.589   0.0000   0.0000  219.042   5.2518  ?   ?       ?      ? 
1 1 1  -30    7    6 o  342.472   5.7340  776.654   23.480  753.449   27.197  844.571   46.528  333.047   6.0260  351.897   9.7571 -18.85001 11.46794 
1 1 1  -30    7    7 o  164.419   4.7659  186.395   9.7479  190.635   11.737  176.967   17.502  167.582   5.1683  161.256   8.0090 6.326340 9.531824 
1 1 1  -30    7    8 o  128.000   5.0032  116.031   7.9471  124.132   9.6839   99.323   13.907  135.224   5.2847  120.776   8.4972 14.44763 10.00647 
1 1 1  -30    7    9 o  153.641   4.7483  157.481   9.1943  152.642   11.041  168.427   16.606  149.943   5.4338  157.339   7.7883 -7.396362 9.496531 
1 1 1  -30    7   10 o  315.893   5.5479  661.912   21.088  642.830   24.520  716.120   41.327  307.655   5.8813  324.131   9.4088 -16.47610 11.09574 
1 1 1  -30    7   11 o  249.905   5.0816  415.239   15.553  403.263   18.285  446.578   29.579  243.708   5.5365  256.102   8.5228 -12.39362 10.16320 
1 1 1  -30    7   12 o  146.083   4.8140  143.356   8.8788  140.491   10.705  149.673   15.895  143.850   5.4914  148.315   7.9083 -4.465668 9.627933 
1 1 1  -30    7   13 o  167.796   4.9185  192.449   10.350  194.222   12.497  188.578   18.469  169.138   5.4524  166.454   8.1876 2.683456 9.836916 
1 1 1  -30    7   14 o  230.064   5.0592  358.502   14.350  356.598   17.042  363.143   26.606  229.180   5.4873  230.948   8.5014 -1.768631 10.11848 
1 1 1  -30    7   15 o  234.115   5.4732  367.104   16.969  347.374   21.553  399.271   27.520  226.050   7.0359  242.180   8.3856 -16.13033 10.94633 
1 1 1  -30    7   16 o  225.463   5.4569  341.656   16.330  326.364   20.867  365.820   26.231  219.108   7.0278  231.818   8.3500 -12.70952 10.91382 
1 1 1  -30    7   17 o  170.194   4.8991  194.842   10.499  191.434   12.636  202.440   18.868  167.913   5.5532  172.475   8.0725 -4.561523 9.798138 
1 1 1  -30    7   18 o  141.838   5.2380  134.075   9.8602  124.223   12.541  150.023   15.956  135.189   6.8458  148.486   7.9297 -13.29733 10.47593 
1 1 1  -30    7   19 o  258.514   5.5927  451.654   18.869  443.558   23.588  466.038   31.442  255.459   6.8138  261.569   8.8704 -6.110229 11.18532 
1 1 1  -30    7   20 o  314.987   6.0429  673.751   24.766  669.072   30.918  682.130   41.372  313.678   7.2734  316.296   9.6522 -2.617767 12.08585 
1 1 1  -30    7   21 o  143.527   6.8613  140.026   13.345  140.026   13.345   0.0000   0.0000  143.527   6.8613  ?   ?       ?      ? 
1 1 1  -30    7   22 o  127.720   7.2095  110.921   12.478  110.921   12.478   0.0000   0.0000  127.720   7.2095  ?   ?       ?      ? 
1 1 1  -30    7   23 o  163.789   7.4241  182.458   16.478  182.458   16.478   0.0000   0.0000  163.789   7.4241  ?   ?       ?      ? 
1 1 1  -30    7   24 f  344.718   6.3210  807.385   29.528  807.385   29.528   0.0000   0.0000  344.718   6.3210  ?   ?       ?      ? 
1 1 1  -30    7   25 o  221.495   5.2734  338.164   14.462  344.971   17.340  322.610   26.210  225.386   5.6774  217.605   8.8884 7.781174 10.54685 
1 1 1  -30    7   26 o  408.686   6.6162  1146.54   32.760  1156.49   38.602  1120.94   61.935  412.445   6.9065  404.926   11.287 7.519287 13.23232 
1 1 1  -30    7   27 o  118.483   5.1107   95.724   8.1556   93.022   12.131   97.952   11.017  116.927   7.6557  120.039   6.7727 -3.112213 10.22147 
1 1 1  -30    7   28 o  317.737   5.1668  687.014   22.236  669.887   31.669  703.668   31.229  313.806   7.4470  321.669   7.1641 -7.862549 10.33356 
1 1 1  -30    7   29 o  164.633   4.7955  184.982   10.649  174.883   15.558  193.883   14.607  160.358   7.1597  168.908   6.3816 -8.550461 9.590917 
1 1 1  -30    7   30 o  128.475   5.0380  111.608   8.7366  119.389   13.082  105.344   11.738  132.483   7.2870  124.468   6.9589 8.015015 10.07600 
1 1 1  -30    7   31 o  157.735   4.9192  170.402   10.437  154.919   15.241  184.075   14.322  150.898   7.4533  164.572   6.4220 -13.67476 9.838376 
1 1 1  -30    7   32 o  144.217   6.5940  148.035   11.392  128.277   21.209  156.047   13.506  136.922   11.430  151.512   6.5779 -14.58946 13.18791 
1 1 1  -30    7   33 o  317.300   6.3676  675.898   25.495  715.115   45.814  658.305   30.685  323.527   10.450  311.072   7.2793 12.45480 12.73523 
1 1 1  -30    7   34 o  247.077   6.0047  408.389   18.614  435.888   33.875  396.495   22.279  252.682   9.8929  241.471   6.8086 11.21062 12.00938 
1 1 1  -30    7   35 o  292.065   6.2278  567.501   22.859  618.807   41.669  545.413   27.341  300.975   10.216  283.154   7.1253 17.82077 12.45569 
1 1 1  -30    7   36 o  236.264   5.8180  374.942   18.196  356.786   23.117  404.508   29.500  228.965   7.4505  243.562   8.9379 -14.59705 11.63598 
1 1 1  -30    7   37 o  252.547   6.9697  436.480   23.755  424.102   34.926  447.135   32.405  249.108   10.346  255.986   9.3414 -6.878281 13.93936 
1 1 1  -30    7   38 o  216.076   6.4056  315.099   17.541  309.090   21.228  328.035   31.146  213.110   7.3505  219.043   10.493 -5.932602 12.81129 
1 1 1  -30    7   39 o  264.210   5.0881  474.935   18.198  477.132   26.377  472.940   25.140  264.768   7.3516  263.652   7.0363 1.115997 10.17622 
1 1 1  -30    7   40 o  199.703   4.9123  271.026   13.268  276.029   19.453  266.673   18.144  201.403   7.1274  198.003   6.7619 3.400085 9.824610 
1 1 1  -30    7   41 o  198.159   4.9362  268.002   13.214  249.998   18.982  284.931   18.406  191.642   7.3092  204.676   6.6362 -13.03429 9.872365 
1 1 1  -30    7   42 o  213.242   4.9544  308.366   14.279  323.718   21.141  295.487   19.364  218.086   7.1533  208.398   6.8567 9.688339 9.908766 
1 1 1  -30    7   43 f  290.772   5.1778  575.529   20.387  578.547   29.450  572.752   28.250  291.478   7.4558  290.066   7.1869 1.412109 10.35565 
1 1 1  -30    7   44 o  322.646   5.3587  709.332   23.415  679.347   33.067  739.487   33.161  315.771   7.7276  329.521   7.4261 -13.74997 10.71745 
1 1 1  -30    7   45 o  163.121   5.1299  181.199   11.313  181.126   16.571  181.262   15.484  163.063   7.4989  163.180   7.0021 -0.1167908 10.25982 
1 1 1  -30    7   46 o  102.336   6.3020   70.355   8.6671   83.414   13.226   60.526   11.474  110.532   8.8297   94.141   8.9944 16.39140 12.60405 
1 1 1  -30    7   47 o  326.826   5.4253  728.038   24.012  728.842   34.613  727.293   33.338  326.964   7.8119  326.688   7.5304 0.2764893 10.85052 
1 1 1  -30    7   48 o  197.261   6.1703  267.432   15.349  261.147   27.071  270.410   18.633  195.248   10.231  199.274   6.9000 -4.025513 12.34064 
1 1 1  -30    7   49 o  122.108   5.7415  101.210   9.4675  108.204   14.128   95.509   12.755  125.899   8.2810  118.317   7.9553 7.582214 11.48308 
1 1 1  -30    7   50 o  122.604   6.5488  103.483   10.693  106.562   14.014   99.192   16.545  124.920   8.2782  120.288   10.150 4.631737 13.09766 
1 1 1  -30    7   51 o  181.855   5.8990  224.345   14.212  218.577   18.165  233.447   22.819  179.008   7.4882  184.701   9.1170 -5.692429 11.79795 
1 1 1  -30    7   52 o  106.451   6.2514   77.263   9.0020   82.674   13.204   72.563   12.305  109.919   8.8644  102.984   8.8173 6.935295 12.50286 
1 1 1  -30    7   53 o  166.368   6.5798  188.714   13.983  186.770   17.089  192.651   24.323  165.389   7.6248  167.346   10.726 -1.957123 13.15968 
1 1 1  -30    7   54 o   76.873   9.9572   40.696   9.6468   38.207   11.808   45.692   16.728   74.377   11.715   79.368   16.104 -4.991127 19.91432 
1 1 1  -30    7   55 o  123.284   5.7098  104.014   9.5097  103.610   13.993  104.361   12.964  123.013   8.3940  123.554   7.7426 -0.5413971 11.41956 
1 1 1  -30    7   56 o  111.738   5.9843   85.156   9.0376   91.247   13.386   80.053   12.252  115.378   8.5613  108.098   8.3636 7.280037 11.96853 
1 1 1  -30    7   57 o  261.023   5.1810  464.235   18.288  490.347   26.951  441.953   24.897  267.770   7.4273  254.276   7.2253 13.49388 10.36194 
1 1 1  -30    7   58 o  145.853   6.8729  146.744   12.299  146.208   22.850  146.962   14.593  145.143   11.617  146.564   7.3475 -1.420837 13.74571 
1 1 1  -30    7   59 o  187.289   6.5516  240.028   15.087  245.344   28.113  237.877   17.879  188.103   11.029  186.475   7.0754 1.627380 13.10316 
1 1 1  -30    7   60 o  158.801   5.3826  171.204   11.526  193.029   17.328  153.887   15.436  167.786   7.6211  149.816   7.6031 17.97031 10.76516 
1 1 1  -30    7   61 o  152.352   5.3778  158.795   11.075  165.746   16.373  152.933   15.037  155.373   7.7762  149.331   7.4305 6.041183 10.75552 
1 1 1  -30    7   62 o  145.546   5.5029  146.791   10.751  133.986   15.877  157.634   14.610  139.466   8.4006  151.626   7.1105 -12.16031 11.00587 
1 1 1  -30    7   63 o  153.268   6.4537  164.060   12.500  158.097   21.843  166.965   15.243  150.583   10.704  155.954   7.2126 -5.370041 12.90739 
1 1 1  -30    7   64 o   92.823   6.6737   60.503   8.2878   53.010   12.186   66.952   11.305   87.198   10.312   98.448   8.4741 -11.24934 13.34741 
1 1 1  -30    7   65 o   96.040   6.5083   63.501   8.4085   75.293   12.477   53.689   11.381  104.231   8.8336   87.848   9.5602 16.38223 13.01654 
1 1 1  -30    7   66 o  122.497   5.7250  104.089   9.4726   97.384   13.632  110.350   13.172  118.549   8.4856  126.446   7.6873 -7.897209 11.44992 
1 1 1  -30    7   67 f  247.365   5.1916  422.391   17.389  403.228   24.598  441.532   24.584  241.650   7.5116  253.080   7.1683 -11.42937 10.38312 
1 1 1  -30    7   68 f   75.277   9.9721   43.117   9.2016   45.559   11.220   38.102   16.080   80.462   10.290   70.093   17.085 10.36873 19.94425 
1 1 1  -30    7   69 o  129.801   6.5924  120.089   11.120  126.223   14.111  110.040   18.061  134.923   7.7176  124.678   10.690 10.24462 13.18471 
1 1 1  -30    7   70 o   75.820   8.7553   42.519   8.4506   44.347   10.803   39.638   13.565   79.231   10.062   72.409   14.331 6.821793 17.51059 
1 1 1  -30    7   71 o  129.214   6.7339  122.591   11.153  137.512   14.280   99.254   17.859  140.687   7.4901  117.742   11.193 22.94506 13.46787 
1 1 1  -30    7   72 o  113.896   6.6821   90.589   9.9780   87.376   12.524   96.173   16.510  111.718   8.2726  116.074   10.496 -4.356285 13.36423 
1 1 1  -30    7   73 o   48.966   9.6894   19.346   7.3388   26.672   9.3631   7.6770   11.818   59.662   11.997   38.269   15.219 21.39283 19.37870 
1 1 1  -30    7   74 o  141.360   6.2965  141.527   11.627  142.064   14.660  140.616   19.089  142.538   7.5896  140.182   10.049 2.355301 12.59291 
1 1 1  -30    7   75 o   51.299   11.072   21.182   9.0490   10.791   13.821   28.979   11.972   42.021   16.538   60.576   14.727 -18.55500 22.14483 
1 1 1  -30    7   76 o   69.514   13.385   37.243   12.151   0.0000   0.0000   37.243   12.151  ?   ?    69.514   13.385      ?      ? 
1 1 1  -30    7   77 o   55.670   15.062   24.956   11.639   0.0000   0.0000   24.956   11.639  ?   ?    55.670   15.062      ?      ? 
1 1 1  -30    7   78 o   44.133   15.172   14.985   10.971   0.0000   0.0000   14.985   10.971  ?   ?    44.133   15.172      ?      ? 
1 1 1  -30    7   79 o   43.113   15.346   14.083   11.286   0.0000   0.0000   14.083   11.286  ?   ?    43.113   15.346      ?      ? 
1 1 1  -30    8    1 o  232.792   6.3320  374.107   19.678  336.481   29.563  404.040   26.368  222.002   9.8268  243.583   7.9883 -21.58047 12.66409 
1 1 1  -30    8    2 o  186.711   6.1009  234.512   15.084  251.673   24.406  223.904   19.188  192.069   9.3768  181.353   7.8077 10.71632 12.20181 
1 1 1  -30    8    3 o  111.923   4.8153   83.382   7.1914   75.564   9.2425   95.377   11.448  105.434   6.4689  118.411   7.1345 -12.97761 9.630519 
1 1 1  -30    8    4 o  228.769   5.2758  364.219   15.781  392.043   20.314  321.879   25.059  240.183   6.2413  217.354   8.5078 22.82881 10.55163 
1 1 1  -30    8    5 o  278.543   5.5967  533.033   20.347  547.007   25.728  509.702   33.244  283.649   6.6934  273.436   8.9717 10.21259 11.19343 
1 1 1  -30    8    6 o  260.628   6.5783  461.754   23.234  461.754   23.234   0.0000   0.0000  260.628   6.5783  ?   ?       ?      ? 
1 1 1  -30    8    7 o  280.667   5.6889  535.041   21.637  535.041   21.637   0.0000   0.0000  280.667   5.6889  ?   ?       ?      ? 
1 1 1  -30    8    8 o  149.503   4.7577  149.628   9.0510  145.382   10.970  158.684   16.019  146.313   5.5327  152.694   7.7417 -6.380890 9.515483 
1 1 1  -30    8    9 o  595.292   8.4825  2450.57   60.474  2478.71   70.845  2375.02  116.094  603.155   8.6676  587.430   14.584 15.72522 16.96504 
1 1 1  -30    8   10 o  210.728   4.9142  299.283   12.882  295.298   15.369  308.697   23.622  208.536   5.4384  212.920   8.1867 -4.384613 9.828465 
1 1 1  -30    8   11 o  373.511   6.1281  949.615   27.672  948.531   32.481  952.484   52.846  373.587   6.4158  373.435   10.443 0.1522522 12.25617 
1 1 1  -30    8   12 o  226.249   5.0255  348.004   14.074  347.829   16.782  348.421   25.841  226.323   5.4718  226.175   8.4310 0.1483307 10.05098 
1 1 1  -30    8   13 o  100.370   5.6310   70.630   7.1662   74.970   8.8674   62.456   12.168  105.039   6.2296   95.700   9.3822 9.338936 11.26207 
1 1 1  -30    8   14 o  500.210   7.4261  1707.14   44.413  1705.01   51.801  1713.05   86.287  500.566   7.6365  499.853   12.739 0.7133179 14.85221 
1 1 1  -30    8   15 o  459.244   6.9655  1400.54   37.952  1360.99   43.795  1519.80   76.052  447.324   7.2247  471.164   11.911 -23.83954 13.93098 
1 1 1  -30    8   16 o  503.335   7.9633  1710.72   51.673  1663.58   63.506  1803.09   88.887  493.875   9.4888  512.795   12.791 -18.92032 15.92651 
1 1 1  -30    8   17 o   90.914   5.7872   55.874   6.8916   54.736   8.6549   57.845   11.392   89.713   7.1191   92.116   9.1260 -2.403320 11.57435 
1 1 1  -30    8   18 o  231.378   5.6149  367.147   17.277  379.757   22.593  349.389   26.810  236.311   7.0553  226.445   8.7369 9.865494 11.22987 
1 1 1  -30    8   19 o  379.819   6.2722  989.136   28.900  996.767   34.072  969.562   54.564  382.941   6.5657  376.696   10.689 6.244873 12.54437 
1 1 1  -30    8   20 o  217.029   5.1558  323.094   13.984  327.504   16.857  313.364   25.042  219.592   5.6647  214.467   8.6163 5.125839 10.31162 
1 1 1  -30    8   21 o  609.566   8.8275  2532.20   72.919  2532.20   72.919   0.0000   0.0000  609.566   8.8275  ?   ?       ?      ? 
1 1 1  -30    8   22 o  148.316   6.0164  149.452   12.092  149.452   12.092   0.0000   0.0000  148.316   6.0164  ?   ?       ?      ? 
1 1 1  -30    8   23 o  284.889   5.5256  553.517   19.398  555.038   23.076  549.853   35.816  285.830   5.9575  283.949   9.3079 1.881165 11.05121 
1 1 1  -30    8   24 o  279.143   5.4964  529.862   18.933  529.132   22.521  531.623   34.962  279.077   5.9550  279.209   9.2402 -0.1315002 10.99285 
1 1 1  -30    8   25 o  281.774   5.5776  546.034   19.406  554.201   23.193  526.963   35.439  285.604   5.9925  277.943   9.4089 7.661224 11.15515 
1 1 1  -30    8   26 o  222.288   5.2268  332.331   14.548  326.251   17.425  346.317   26.429  219.143   5.8677  225.433   8.6514 -6.290436 10.45357 
1 1 1  -30    8   27 o  120.967   6.1503  100.197   10.027  105.644   13.733   93.978   14.674  124.548   8.1368  117.385   9.2247 7.163010 12.30051 
1 1 1  -30    8   28 o  186.753   7.1554  241.962   17.501  222.471   28.021  254.428   22.410  180.278   11.470  193.227   8.5583 -12.94933 14.31089 
1 1 1  -30    8   30 o  260.093   7.1693  461.493   25.251  444.723   34.933  479.845   36.543  255.158   10.103  265.027   10.175 -9.868759 14.33854 
1 1 1  -30    8   31 o  184.832   6.8617  234.173   16.933  227.479   26.089  239.046   22.259  182.413   10.554  187.250   8.7721 -4.837616 13.72350 
1 1 1  -30    8   32 o  311.126   9.8687  661.086   41.608   0.0000   0.0000  661.086   41.608  ?   ?   311.126   9.8687      ?      ? 
1 1 1  -30    8   33 o  314.413   6.4253  661.975   25.411  707.658   46.040  641.963   30.473  321.697   10.561  307.129   7.3216 14.56787 12.85069 
1 1 1  -30    8   34 o  272.757   5.0597  505.037   18.668  525.648   27.410  487.204   25.496  277.915   7.2781  267.599   7.0308 10.31635 10.11938 
1 1 1  -30    8   35 o  142.226   5.1677  138.892   9.8685  125.149   14.484  150.798   13.482  135.549   7.8854  148.902   6.6814 -13.35313 10.33537 
1 1 1  -30    8   36 o  166.516   4.9472  188.565   11.129  189.916   16.425  187.418   15.132  167.041   7.2559  165.992   6.7269 1.049438 9.894420 
1 1 1  -30    8   37 o  190.180   6.2400  251.843   15.212  263.745   18.945  230.248   25.519  196.862   7.1016  183.499   10.263 13.36305 12.48006 
1 1 1  -30    8   38 o  188.168   6.1887  242.930   14.834  245.695   18.174  237.411   25.674  190.004   7.0584  186.332   10.168 3.671570 12.37745 
1 1 1  -30    8   39 o  136.611   5.1690  127.174   9.5419  125.550   13.985  128.588   13.052  135.768   7.6009  137.455   7.0071 -1.686310 10.33800 
1 1 1  -30    8   40 o  195.801   4.9031  261.526   12.977  249.379   18.738  272.721   17.990  191.384   7.2249  200.217   6.6303 -8.832855 9.806174 
1 1 1  -30    8   41 o   82.826   6.7936   46.280   7.5746   52.815   11.529   41.316   10.048   87.899   9.6788   77.753   9.5358 10.14505 13.58717 
1 1 1  -30    8   42 o  151.758   5.1318  156.828   10.522  157.095   15.497  156.600   14.332  151.848   7.5311  151.668   6.9731 0.1800842 10.26356 
1 1 1  -30    8   43 o  418.566   6.0124  1195.76   34.096  1191.85   48.675  1199.52   47.775  417.862   8.5958  419.270   8.4086 -1.407928 12.02471 
1 1 1  -30    8   44 o  318.050   5.3564  688.528   23.061  708.442   33.579  670.753   31.725  322.369   7.6866  313.732   7.4620 8.637329 10.71289 
1 1 1  -30    8   45 o  140.993   5.4322  135.959   10.322  131.108   15.260  140.051   14.015  138.615   8.1240  143.371   7.2136 -4.755722 10.86440 
1 1 1  -30    8   46 o  332.656   5.4774  755.010   24.680  727.377   34.883  782.705   34.922  326.521   7.8835  338.792   7.6065 -12.27112 10.95479 
1 1 1  -30    8   47 o  231.224   7.0240  367.194   21.932  355.144   32.066  377.787   30.065  227.526   10.400  234.922   9.4439 -7.395187 14.04804 
1 1 1  -30    8   48 o  194.839   6.9559  261.056   18.286  249.323   26.762  271.332   25.045  190.596   10.361  199.081   9.2833 -8.485550 13.91176 
1 1 1  -30    8   49 o  216.305   5.0987  317.450   14.906  343.615   22.066  295.490   20.215  224.452   7.2547  208.158   7.1664 16.29387 10.19748 
1 1 1  -30    8   50 o  256.055   5.1260  447.730   17.771  433.083   25.379  461.819   24.891  251.896   7.4348  260.213   7.0588 -8.316330 10.25197 
1 1 1  -30    8   51 o   92.833   6.6111   58.272   8.2540   68.893   12.502   50.066   10.989  100.243   9.2035   85.423   9.4933 14.81910 13.22225 
1 1 1  -30    8   52 o   50.545   10.077   18.438   7.2099   16.432   10.855   20.022   9.6447   48.424   14.998   52.666   13.462 -4.242516 20.15407 
1 1 1  -30    8   53 o  156.789   6.7339  171.317   13.401  176.101   16.445  161.861   23.120  160.499   7.5609  153.079   11.145 7.419525 13.46779 
1 1 1  -30    8   54 o  130.161   5.7353  117.492   9.9841   99.737   14.489  133.546   13.778  120.542   8.8696  139.780   7.2736 -19.23735 11.47060 
1 1 1  -30    8   55 o  174.796   6.6873  218.391   14.339  190.225   25.673  231.161   17.286  165.661   11.436  183.930   6.9353 -18.26855 13.37464 
1 1 1  -30    8   56 o  263.827   6.4776  477.955   21.388  481.771   38.521  476.254   25.716  263.805   10.775  263.848   7.1922 -0.4306030E-01 12.95517 
1 1 1  -30    8   57 o  164.682   5.4441  186.973   12.053  176.000   17.885  196.103   16.315  160.090   8.2442  169.274   7.1122 -9.184845 10.88810 
1 1 1  -30    8   58 o  104.154   6.4350   75.513   8.9808   68.454   13.324   81.392   12.158   99.488   9.8826  108.820   8.2444 -9.331322 12.86997 
1 1 1  -30    8   59 o  264.323   5.2383  479.882   18.720  441.667   26.426  518.373   26.521  253.621   7.6889  275.024   7.1160 -21.40305 10.47652 
1 1 1  -30    8   60 o  115.712   5.9073   92.410   9.2186   90.514   13.639   94.004   12.508  114.514   8.7893  116.909   7.8952 -2.394638 11.81465 
1 1 1  -30    8   61 o   57.762   9.2975   25.001   7.1325   19.810   10.682   29.178   9.5816   51.877   14.586   63.646   11.534 -11.76872 18.59491 
1 1 1  -30    8   62 o   98.544   7.4367   63.570   9.3772   81.040   16.931   55.840   11.262  107.367   11.637   89.721   9.2630 17.64673 14.87343 
1 1 1  -30    8   63 o  234.071   5.1638  376.926   16.356  380.635   23.832  373.623   22.487  235.068   7.4815  233.073   7.1196 1.995178 10.32769 
1 1 1  -30    8   64 o   53.649   9.5079   21.997   7.2038   12.979   10.675   29.539   9.7619   43.543   14.966   63.755   11.731 -20.21123 19.01585 
1 1 1  -30    8   65 o  173.078   5.2234  205.960   12.218  217.446   18.103  196.350   16.559  177.432   7.5291  168.725   7.2421 8.706573 10.44675 
1 1 1  -30    8   66 o   73.336   7.5578   37.858   7.4944   41.543   10.895   34.548   10.325   76.773   10.472   69.899   10.901 6.874016 15.11566 
1 1 1  -30    8   67 o   83.761   9.9087   49.372   11.247   49.372   11.247   0.0000   0.0000   83.761   9.9087  ?   ?       ?      ? 
1 1 1  -30    8   68 o  111.567   8.3760   86.831   12.664   86.831   12.664   0.0000   0.0000  111.567   8.3760  ?   ?       ?      ? 
1 1 1  -30    8   69 o  140.300   6.3577  136.348   11.692  130.981   14.655  145.746   19.393  137.124   7.8864  143.476   9.9743 -6.352264 12.71544 
1 1 1  -30    8   70 o  185.596   6.0432  235.755   14.703  219.640   18.330  264.829   24.621  177.571   7.6175  193.621   9.3837 -16.05058 12.08635 
1 1 1  -30    8   71 o   54.279   10.407   22.709   7.7547   21.366   10.097   24.640   12.108   52.612   13.939   55.946   15.458 -3.334057 20.81465 
1 1 1  -30    8   72 o   62.331   9.4806   30.091   7.7939   33.069   10.145   25.802   12.175   67.615   11.072   57.048   15.392 10.56626 18.96111 
1 1 1  -30    8   73 o   57.901   11.664   26.376   9.5117   33.120   14.956   21.796   12.325   63.547   17.025   52.255   15.948 11.29124 23.32755 
1 1 1  -30    8   74 o  108.184   8.2377   85.978   11.943   85.487   18.210   86.348   15.820  107.260   12.528  109.107   10.699 -1.847717 16.47541 
1 1 1  -30    8   75 o   55.734   14.989   24.948   11.567   0.0000   0.0000   24.948   11.567  ?   ?    55.734   14.989      ?      ? 
1 1 1  -30    8   76 o   83.689   11.879   51.983   13.472   0.0000   0.0000   51.983   13.472  ?   ?    83.689   11.879      ?      ? 
1 1 1  -30    8   77 o   55.196   15.242   24.870   11.777   0.0000   0.0000   24.870   11.777  ?   ?    55.196   15.242      ?      ? 
1 1 1  -30    8   78 o   94.855   11.531   66.912   14.822   0.0000   0.0000   66.912   14.822  ?   ?    94.855   11.531      ?      ? 
1 1 1  -30    8   79 o   81.183   12.654   50.111   13.921   0.0000   0.0000   50.111   13.921  ?   ?    81.183   12.654      ?      ? 
1 1 1  -30    9    1 o  176.914   4.3768  213.742   10.172  208.723   16.454  216.846   12.942  175.151   6.9321  178.676   5.3451 -3.524872 8.753515 
1 1 1  -30    9    2 o  145.834   4.4269  145.143   8.2938  146.371   10.240  142.803   14.141  146.812   5.1470  144.855   7.2039 1.956711 8.853710 
1 1 1  -30    9    3 o  228.684   5.3111  353.811   16.297  341.068   21.421  371.319   25.109  223.889   7.0605  233.478   7.9360 -9.589508 10.62213 
1 1 1  -30    9    4 o  349.463   5.7517  809.427   24.251  783.675   28.227  882.013   47.391  339.553   6.1345  359.373   9.7311 -19.81976 11.50335 
1 1 1  -30    9    5 o  246.413   4.9533  405.758   15.197  394.973   18.088  431.645   28.023  241.132   5.5354  251.693   8.2160 -10.56145 9.906687 
1 1 1  -30    9    6 o  234.035   5.2540  372.375   16.274  370.786   20.865  374.845   26.007  233.511   6.5935  234.559   8.1819 -1.048004 10.50797 
1 1 1  -30    9    7 o  283.211   5.7634  544.947   22.119  544.947   22.119   0.0000   0.0000  283.211   5.7634  ?   ?       ?      ? 
1 1 1  -30    9    8 o  411.307   6.4851  1155.86   32.235  1157.98   37.860  1150.27   61.463  412.633   6.7707  409.981   11.063 2.651581 12.97025 
1 1 1  -30    9    9 o  184.617   4.7490  225.416   11.202  213.617   13.565  250.717   19.864  177.329   5.6450  191.906   7.6384 -14.57640 9.497954 
1 1 1  -30    9   10 o  290.262   5.4639  581.914   19.620  594.542   23.522  553.040   35.568  295.808   5.8679  284.716   9.2187 11.09180 10.92778 
1 1 1  -30    9   11 o  331.837   5.6797  720.235   22.765  686.879   26.433  816.024   44.793  317.910   6.1356  345.763   9.5599 -27.85269 11.35940 
1 1 1  -30    9   12 o  326.133   5.6896  713.269   22.625  699.267   26.580  750.101   43.110  320.769   6.1148  331.497   9.5966 -10.72769 11.37915 
1 1 1  -30    9   13 o  114.617   5.5301   93.078   8.1075  102.634   10.255   77.149   13.240  122.887   6.1580  106.346   9.1874 16.54157 11.06029 
1 1 1  -30    9   14 o  270.175   5.4062  505.181   18.164  518.497   21.889  475.737   32.550  276.250   5.8472  264.101   9.0949 12.14886 10.81238 
1 1 1  -30    9   15 o  150.993   5.4421  153.600   11.047  143.255   14.555  167.654   16.964  145.086   7.4031  156.900   7.9787 -11.81451 10.88420 
1 1 1  -30    9   16 o  282.936   7.1359  553.649   27.014  477.540   39.469  620.725   37.053  264.192   11.024  301.680   9.0635 -37.48740 14.27183 
1 1 1  -30    9   17 o  127.647   5.7396  109.345   9.8537   95.001   13.073  128.213   14.994  118.094   8.1690  137.201   8.0646 -19.10774 11.47912 
1 1 1  -30    9   18 o  329.928   6.2162  739.729   26.894  732.666   33.920  751.687   44.135  328.066   7.6297  331.790   9.8160 -3.724457 12.43244 
1 1 1  -30    9   19 o  328.111   6.2074  724.956   26.656  700.472   33.341  768.328   44.376  320.767   7.6703  335.454   9.7619 -14.68646 12.41483 
1 1 1  -30    9   20 o  276.539   5.8787  522.194   21.515  526.427   27.667  515.719   34.220  278.129   7.3407  274.949   9.1842 3.180847 11.75736 
1 1 1  -30    9   21 o  171.750   7.4423  200.768   17.322  200.768   17.322   0.0000   0.0000  171.750   7.4423  ?   ?       ?      ? 
1 1 1  -30    9   22 o  423.542   7.0450  1220.40   40.435  1220.40   40.435   0.0000   0.0000  423.542   7.0450  ?   ?       ?      ? 
1 1 1  -30    9   23 o  297.531   5.7074  611.727   21.022  625.079   25.218  581.313   38.060  303.264   6.1362  291.798   9.6252 11.46545 11.41477 
1 1 1  -30    9   24 o  237.034   5.5098  399.031   16.329  430.550   20.073  337.385   28.073  251.719   5.8847  222.349   9.3169 29.36952 11.01969 
1 1 1  -30    9   25 o  260.565   5.4443  461.441   17.682  460.118   21.182  464.483   32.112  260.200   6.0074  260.930   9.0815 -0.7300720 10.88861 
1 1 1  -30    9   26 o  349.672   6.1281  840.537   26.319  850.213   31.313  817.248   48.581  353.600   6.5347  345.743   10.369 7.856720 12.25622 
1 1 1  -30    9   27 o  228.433   6.5716  355.809   20.247  359.539   30.202  352.764   27.287  229.443   9.7134  227.423   8.8539 2.020203 13.14315 
1 1 1  -30    9   28 o  150.685   6.6453  155.871   13.406  148.943   20.353  161.181   17.817  147.614   10.174  153.757   8.5512 -6.142349 13.29069 
1 1 1  -30    9   29 o  177.273   5.2920  214.826   11.903  216.465   14.513  211.458   20.803  178.462   6.0009  176.085   8.7183 2.377563 10.58391 
1 1 1  -30    9   30 o  283.810   5.6963  560.766   20.043  579.780   24.150  518.687   35.927  292.048   6.1022  275.573   9.6205 16.47482 11.39256 
1 1 1  -30    9   31 o  151.248   5.8849  155.744   12.007  153.891   16.183  158.015   17.909  150.289   7.9460  152.208   8.6827 -1.919006 11.76973 
1 1 1  -30    9   32 o  271.876   5.9146  496.147   21.125  473.702   26.510  535.193   34.965  263.763   7.4168  279.989   9.2154 -16.22601 11.82928 
1 1 1  -30    9   33 o  150.576   5.0313  154.826   10.196  149.712   15.197  159.012   13.750  148.263   7.5640  152.889   6.6364 -4.626236 10.06258 
1 1 1  -30    9   34 f  133.560   6.4620  120.752   10.684  124.365   19.740  119.255   12.706  134.758   10.810  132.362   7.0838 2.395554 12.92408 
1 1 1  -30    9   35 o  118.970   7.9578   96.981   12.826  100.264   18.381   93.866   17.904  120.936   11.216  117.005   11.292 3.931267 15.91558 
1 1 1  -30    9   36 f  197.267   6.0788  263.401   15.439  258.820   18.989  272.336   26.519  194.964   7.1874  199.569   9.8056 -4.604965 12.15768 
1 1 1  -30    9   37 o   92.444   7.8230   57.746   9.3677   55.796   11.562   61.470   15.981   90.354   9.4432   94.534   12.475 -4.179733 15.64604 
1 1 1  -30    9   38 o  115.257   5.5965   89.958   8.7048   97.286   13.059   84.098   11.678  119.438   8.0681  111.075   7.7582 8.362778 11.19297 
1 1 1  -30    9   39 o  130.017   5.3965  116.559   9.3965  101.853   13.763  129.400   12.860  122.174   8.3128  137.861   6.8838 -15.68652 10.79297 
1 1 1  -30    9   40 o  301.946   5.2402  621.757   21.425  598.437   30.452  644.618   30.150  296.294   7.5842  307.598   7.2332 -11.30374 10.48039 
1 1 1  -30    9   41 o  182.967   5.0388  227.541   12.451  234.281   18.496  221.956   16.837  185.405   7.3615  180.528   6.8824 4.876312 10.07766 
1 1 1  -30    9   42 o  306.324   5.3020  639.944   22.000  634.095   31.494  645.517   30.744  304.925   7.6218  307.723   7.3725 -2.797974 10.60404 
1 1 1  -30    9   43 o  204.489   5.8359  284.499   15.765  280.838   20.103  290.345   25.406  202.960   7.3091  206.018   9.1000 -3.058121 11.67190 
1 1 1  -30    9   44 o  188.545   5.9007  243.680   14.767  246.945   19.126  238.860   23.237  190.279   7.4174  186.812   9.1790 3.466965 11.80134 
1 1 1  -30    9   45 o  162.035   5.2087  177.529   11.383  196.295   17.137  162.710   15.228  169.617   7.4556  154.453   7.2757 15.16476 10.41739 
1 1 1  -30    9   46 o  259.378   6.3222  461.436   20.543  458.430   36.824  462.794   24.753  258.246   10.522  260.510   7.0116 -2.263336 12.64442 
1 1 1  -30    9   47 o  232.792   6.1504  354.269   17.797  413.245   33.543  331.162   20.996  245.253   10.093  220.331   7.0319 24.92169 12.30074 
1 1 1  -30    9   48 o  170.788   5.1893  199.300   11.963  197.671   17.682  200.676   16.245  170.083   7.6716  171.493   6.9902 -1.410507 10.37867 
1 1 1  -30    9   49 o  185.040   5.1542  234.501   12.881  224.136   18.735  243.794   17.739  181.080   7.6349  189.000   6.9262 -7.920670 10.30840 
1 1 1  -30    9   50 o  373.579   5.7641  956.027   29.169  930.762   41.425  980.870   41.078  368.613   8.2930  378.545   8.0077 -9.931396 11.52812 
1 1 1  -30    9   51 o  228.421   5.1210  357.438   15.812  342.117   22.865  371.479   21.889  223.635   7.5448  233.208   6.9264 -9.573395 10.24204 
1 1 1  -30    9   52 o  162.087   7.7353  181.452   16.959  187.262   24.900  176.425   23.161  164.429   11.175  159.745   10.699 4.684174 15.47066 
1 1 1  -30    9   53 o  102.670   9.3408   72.865   12.801   92.487   19.177   57.095   17.192  115.209   12.283   90.131   14.076 25.07736 18.68159 
1 1 1  -30    9   54 o   77.039   7.6719   40.212   7.9166   48.532   12.340   34.392   10.320   83.649   10.886   70.428   10.814 13.22137 15.34383 
1 1 1  -30    9   55 o  174.295   5.2013  208.532   12.244  203.618   17.944  212.813   16.748  172.280   7.6860  176.310   7.0098 -4.029999 10.40254 
1 1 1  -30    9   56 o  151.868   5.3716  159.432   10.972  141.951   15.853  175.506   15.201  143.674   8.1425  160.061   7.0084 -16.38626 10.74327 
1 1 1  -30    9   57 o  152.837   5.3225  161.079   10.972  151.274   15.983  169.820   15.090  148.301   7.9531  157.374   7.0758 -9.072739 10.64507 
1 1 1  -30    9   58 o  145.684   5.3811  146.151   10.583  143.142   15.566  148.738   14.433  144.186   7.9664  147.182   7.2363 -2.996323 10.76228 
1 1 1  -30    9   59 o   64.534   8.6076   30.060   7.3138   27.687   10.829   32.050   9.9174   61.359   13.399   67.709   10.809 -6.350338 17.21514 
1 1 1  -30    9   60 o   77.002   8.1364   44.500   7.7460   27.858   11.265   59.426   10.668   61.319   13.880   92.685   8.4939 -31.36590 16.27273 
1 1 1  -30    9   61 o  121.323   7.0231  104.474   10.652   98.139   18.823  107.459   12.920  117.837   11.787  124.810   7.6389 -6.973213 14.04625 
1 1 1  -30    9   62 o  160.959   5.2875  178.631   11.491  180.696   17.031  176.906   15.569  161.694   7.7726  160.223   7.1707 1.470657 10.57507 
1 1 1  -30    9   63 o  219.852   5.1090  333.481   15.208  335.367   21.995  331.754   21.050  220.369   7.3654  219.335   7.0822 1.034332 10.21802 
1 1 1  -30    9   64 o  143.150   5.3593  141.480   10.378  148.290   15.239  135.589   14.173  146.311   7.6859  139.990   7.4711 6.321381 10.71869 
1 1 1  -30    9   65 o  138.902   6.1783  130.475   11.343  116.612   14.265  154.305   18.704  129.469   8.1308  148.335   9.3046 -18.86502 12.35660 
1 1 1  -30    9   66 o   92.191   9.4491   59.809   11.805   59.809   11.805   0.0000   0.0000   92.191   9.4491  ?   ?       ?      ? 
1 1 1  -30    9   67 o   45.161   14.095   15.236   9.5659   15.236   9.5659   0.0000   0.0000   45.161   14.095  ?   ?       ?      ? 
1 1 1  -30    9   68 o  110.831   6.6683   84.186   9.8249   73.635   12.497  101.263   15.898  102.217   9.0219  119.444   9.8219 -17.22671 13.33653 
1 1 1  -30    9   69 o   51.840   10.083   21.393   7.5177   26.081   9.8828   14.955   11.581   58.610   12.801   45.070   15.583 13.54000 20.16687 
1 1 1  -30    9   70 o   36.029   9.8130   7.1839   7.0314   11.174   9.1919   1.5553   10.917   39.715   13.874   32.343   13.881 7.371124 19.62603 
1 1 1  -30    9   71 o   51.887   11.542   21.604   9.0094   20.246   14.160   22.527   11.678   50.586   17.240   53.188   15.350 -2.601913 23.08333 
1 1 1  -30    9   72 o   48.032   10.730   17.853   8.8165   4.8963   13.490   27.514   11.648   37.193   15.675   58.870   14.658 -21.67769 21.46018 
1 1 1  -30    9   73 o   68.068   10.918   37.533   9.7573   35.520   15.044   38.994   12.819   65.427   16.862   70.708   13.874 -5.280945 21.83602 
1 1 1  -30    9   74 o   53.043   15.829   23.003   12.243   0.0000   0.0000   23.003   12.243  ?   ?    53.043   15.829      ?      ? 
1 1 1  -30    9   75 o   31.587   13.634   1.5870   10.648   0.0000   0.0000   1.5870   10.648  ?   ?    31.587   13.634      ?      ? 
1 1 1  -30    9   76 o   65.147   14.638   34.206   12.608   0.0000   0.0000   34.206   12.608  ?   ?    65.147   14.638      ?      ? 
1 1 1  -30    9   77 o   39.744   15.259   10.777   11.540   0.0000   0.0000   10.777   11.540  ?   ?    39.744   15.259      ?      ? 
1 1 1  -30    9   78 o   42.842   15.576   14.074   11.700   0.0000   0.0000   14.074   11.700  ?   ?    42.842   15.576      ?      ? 
1 1 1  -30   10    1 o  166.257   4.3753  184.447   9.2836  177.845   11.266  198.414   16.386  161.804   5.1381  170.710   7.0833 -8.905411 8.750618 
1 1 1  -30   10    2 o  213.052   4.8262  318.288   12.874  335.343   15.719  283.545   22.436  222.179   5.2208  203.925   8.1187 18.25385 9.652487 
1 1 1  -30   10    3 o  156.380   5.1536  166.616   10.912  174.333   15.433  158.900   15.432  160.021   7.1167  152.738   7.4558 7.282806 10.30713 
1 1 1  -30   10    4 o  167.768   5.1605  191.632   11.723  191.073   16.245  192.240   16.934  167.528   7.1556  168.007   7.4378 -0.4784698 10.32102 
1 1 1  -30   10    5 f  267.387   5.1219  484.280   16.985  480.604   20.246  493.013   31.206  265.941   5.6179  268.834   8.5659 -2.893402 10.24381 
1 1 1  -30   10    6 o  252.597   4.9921  427.138   15.684  416.662   18.662  452.330   28.941  247.629   5.5613  257.565   8.2918 -9.936386 9.984138 
1 1 1  -30   10    7 o  154.857   4.6768  161.049   9.3798  156.280   11.582  170.141   15.990  151.652   5.6355  158.063   7.4653 -6.410431 9.353612 
1 1 1  -30   10    8 f  188.128   5.4871  240.458   13.989  240.458   13.989   0.0000   0.0000  188.128   5.4871  ?   ?       ?      ? 
1 1 1  -30   10    9 o  134.939   4.9746  127.603   8.6657  137.912   10.991  110.663   14.088  142.460   5.6931  127.417   8.1593 15.04245 9.949134 
1 1 1  -30   10   10 o  237.165   5.0198  381.126   14.938  378.340   17.969  387.359   26.874  235.967   5.6195  238.363   8.3197 -2.395828 10.03968 
1 1 1  -30   10   11 o  223.790   4.9779  340.983   14.062  341.235   17.037  340.444   24.908  224.100   5.6102  223.481   8.2245 0.6189880 9.955729 
1 1 1  -30   10   12 o  155.917   4.8123  165.066   9.7389  164.253   12.126  166.543   16.345  155.468   5.7558  156.365   7.7137 -0.8971710 9.624500 
1 1 1  -30   10   13 o  284.637   5.4358  556.949   19.198  564.825   23.021  538.963   34.788  288.278   5.8928  280.996   9.1359 7.282410 10.87155 
1 1 1  -30   10   14 o  143.606   5.0146  142.856   9.2930  149.161   11.647  131.807   15.417  148.151   5.8011  139.062   8.1811 9.089096 10.02917 
1 1 1  -30   10   15 o   90.862   5.7860   56.569   6.9801   57.831   9.0668   54.732   10.937   92.170   7.2591   89.554   9.0120 2.615906 11.57196 
1 1 1  -30   10   16 o  161.655   5.4590  176.416   11.905  159.209   15.987  197.841   17.839  152.885   7.7164  170.426   7.7240 -17.54153 10.91802 
1 1 1  -30   10   17 o  285.111   5.5444  567.013   19.627  588.573   23.703  519.986   35.007  294.269   5.9440  275.954   9.3612 18.31473 11.08888 
1 1 1  -30   10   18 o  151.417   5.3266  164.605   10.221  186.485   12.947  128.416   16.651  165.655   5.7674  137.179   8.9570 28.47527 10.65321 
1 1 1  -30   10   19 o  240.504   5.1489  386.657   15.496  375.714   18.511  412.291   28.331  235.125   5.8095  245.883   8.5026 -10.75809 10.29778 
1 1 1  -30   10   20 o  224.413   5.2384  350.896   14.782  365.678   18.053  320.823   25.750  231.971   5.7429  216.855   8.7625 15.11581 10.47677 
1 1 1  -30   10   21 f  140.598   6.2143  134.406   11.840  134.406   11.840   0.0000   0.0000  140.598   6.2143  ?   ?       ?      ? 
1 1 1  -30   10   22 o  182.313   6.9819  226.204   17.250  226.204   17.250   0.0000   0.0000  182.313   6.9819  ?   ?       ?      ? 
1 1 1  -30   10   23 o  158.351   6.3976  171.574   13.550  168.544   20.813  173.804   17.851  157.036   9.7803  159.666   8.2501 -2.630341 12.79524 
1 1 1  -30   10   24 o  254.999   5.3326  436.876   16.984  427.691   20.290  458.371   31.041  250.831   5.9693  259.168   8.8383 -8.337997 10.66527 
1 1 1  -30   10   25 o  269.035   5.4567  492.188   18.258  490.767   21.837  495.490   33.285  268.683   5.9974  269.388   9.1177 -0.7048340 10.91331 
1 1 1  -30   10   26 o  170.130   5.2020  197.145   11.326  197.220   13.900  196.997   19.538  170.320   6.0224  169.941   8.4839 0.3787842 10.40410 
1 1 1  -30   10   27 o  167.955   5.2148  193.411   11.169  196.033   13.706  188.229   19.271  169.810   5.9563  166.100   8.5614 3.710098 10.42951 
1 1 1  -30   10   28 o  223.018   5.2834  340.162   14.805  342.484   17.894  335.123   26.357  224.454   5.8829  221.581   8.7778 2.872665 10.56689 
1 1 1  -30   10   29 o  166.307   5.3538  193.358   11.323  203.936   14.022  173.528   19.197  173.189   5.9744  159.424   8.8860 13.76506 10.70763 
1 1 1  -30   10   30 o  137.391   6.1361  130.521   11.270  148.896   15.556  110.221   16.351  147.802   7.7666  126.981   9.5020 20.82177 12.27222 
1 1 1  -30   10   31 o  298.611   6.1469  604.716   24.213  591.612   30.740  626.135   39.302  294.618   7.6995  302.604   9.5841 -7.985260 12.29385 
1 1 1  -30   10   32 o  152.290   5.4424  160.200   10.583  164.670   13.054  151.630   18.075  155.591   6.1913  148.989   8.9525 6.602631 10.88485 
1 1 1  -30   10   33 o  233.219   5.3424  362.342   15.518  350.105   18.447  391.966   28.701  226.889   5.9996  239.549   8.8414 -12.65994 10.68479 
1 1 1  -30   10   34 o  222.368   5.4425  340.762   15.194  347.031   18.409  327.369   26.907  225.880   6.0142  218.856   9.0726 7.024429 10.88494 
1 1 1  -30   10   35 o  338.985   6.4907  791.945   28.831  811.423   36.654  760.340   46.691  344.909   7.8421  333.061   10.345 11.84830 12.98131 
1 1 1  -30   10   36 o  141.783   6.6887  135.823   12.145  132.364   14.829  142.873   21.169  139.291   7.8559  144.274   10.828 -4.982864 13.37737 
1 1 1  -30   10   37 o  217.010   7.1741  320.964   21.098  320.964   21.098   0.0000   0.0000  217.010   7.1741  ?   ?       ?      ? 
1 1 1  -30   10   38 f  157.972   5.9604  172.670   12.510  183.477   16.479  157.972   19.218  164.028   7.4136  151.916   9.3351 12.11192 11.92080 
1 1 1  -30   10   39 o  280.443   6.0224  523.798   22.079  488.536   27.402  589.064   37.279  267.592   7.5566  293.293   9.3796 -25.70023 12.04488 
1 1 1  -30   10   40 o  144.904   6.3541  135.022   11.434  165.656   21.791  123.385   13.431  155.320   10.353  134.487   7.3697 20.83322 12.70813 
1 1 1  -30   10   41 o  163.852   7.3819  184.445   16.382  185.756   23.602  183.225   22.756  164.380   10.595  163.324   10.282 1.055069 14.76389 
1 1 1  -30   10   42 o  126.084   6.8637  105.440   11.285   96.595   13.924  122.374   19.266  118.799   8.6491  133.369   10.660 -14.56998 13.72744 
1 1 1  -30   10   43 o   95.774   6.3552   63.185   8.2031   58.350   11.924   67.529   11.303   92.209   9.5426   99.340   8.3961 -7.130699 12.71045 
1 1 1  -30   10   44 o  129.756   5.5135  114.165   9.6493  124.922   14.533  105.684   12.904  135.158   7.9346  124.355   7.6575 10.80283 11.02701 
1 1 1  -30   10   45 o  365.316   5.6858  913.806   28.127  878.003   39.903  949.165   39.655  358.117   8.2224  372.515   7.8554 -14.39740 11.37166 
1 1 1  -30   10   46 o  229.238   6.2521  357.745   17.807  367.603   32.654  353.572   21.244  230.908   10.436  227.567   6.8887 3.340271 12.50413 
1 1 1  -30   10   47 o  251.076   5.0937  430.583   17.293  435.181   25.366  426.590   23.637  252.260   7.4201  249.891   6.9802 2.369812 10.18734 
1 1 1  -30   10   48 o  107.095   12.988   80.036   18.849   80.036   18.849   0.0000   0.0000  107.095   12.988  ?   ?       ?      ? 
1 1 1  -30   10   49 o  127.880   6.9033  112.956   10.755  112.328   20.201  113.204   12.706  127.137   11.725  128.622   7.2897 -1.484695 13.80665 
1 1 1  -30   10   50 o  159.585   5.2569  174.474   11.289  174.066   16.986  174.796   15.108  159.315   7.8677  159.855   6.9742 -0.5397797 10.51380 
1 1 1  -30   10   51 o  127.893   7.2004  113.421   11.746  113.861   14.394  112.544   20.322  128.727   8.2515  127.059   11.802 1.667496 14.40084 
1 1 1  -30   10   52 o  125.701   6.8880  105.311   11.196   96.829   13.675  122.554   19.498  118.608   8.5081  132.795   10.835 -14.18681 13.77604 
1 1 1  -30   10   53 o   79.515   7.0136   43.960   7.4815   42.705   11.316   44.934   9.9719   78.367   10.656   80.663   9.1227 -2.295959 14.02726 
1 1 1  -30   10   54 o   66.251   8.1471   30.684   7.1164   34.228   11.024   28.153   9.3178   69.924   11.634   62.579   11.408 7.345047 16.29418 
1 1 1  -30   10   55 o   86.843   6.7277   52.648   7.8037   50.022   11.914   54.622   10.328   84.745   10.374   88.941   8.5687 -4.196320 13.45547 
1 1 1  -30   10   56 o   83.601   6.8172   47.956   7.6579   53.287   11.803   44.080   10.064   87.494   9.9545   79.708   9.3170 7.785576 13.63444 
1 1 1  -30   10   57 o   95.289   6.3440   63.487   8.0904   59.127   12.180   66.929   10.823   92.137   9.7552   98.441   8.1129 -6.304306 12.68792 
1 1 1  -30   10   58 o  161.175   5.1821  178.955   11.289  179.115   16.575  178.817   15.417  161.146   7.5903  161.205   7.0571 -0.5908203E-01 10.36418 
1 1 1  -30   10   59 o  101.851   6.0749   72.270   8.3265   69.500   12.382   74.558   11.250   99.900   9.1461  103.802   7.9979 -3.901703 12.14976 
1 1 1  -30   10   60 o   40.058   10.580   8.3038   7.1883   14.516   13.276   5.7271   8.5499   46.370   16.629   33.746   13.086 12.62395 21.15999 
1 1 1  -30   10   61 o  100.245   6.1856   70.708   8.3058   64.319   12.346   75.990   11.226   95.814   9.5089  104.676   7.9138 -8.861504 12.37125 
1 1 1  -30   10   62 o   73.516   8.5252   39.201   8.2032   39.111   10.834   39.320   12.557   74.273   10.765   72.760   13.223 1.513489 17.05046 
1 1 1  -30   10   63 o  135.573   6.2186  127.804   11.207  124.427   14.427  132.942   17.794  133.719   7.9617  137.426   9.5549 -3.706772 12.43727 
1 1 1  -30   10   64 o   67.885   8.9572   33.010   7.9813   25.857   10.425   43.137   12.405   58.397   13.451   77.372   11.832 -18.97490 17.91445 
1 1 1  -30   10   65 o  132.772   8.0060  123.139   14.405  123.139   14.405   0.0000   0.0000  132.772   8.0060  ?   ?       ?      ? 
1 1 1  -30   10   66 o  114.000   8.4289   91.268   13.021   91.268   13.021   0.0000   0.0000  114.000   8.4289  ?   ?       ?      ? 
1 1 1  -30   10   67 o   89.040   7.3722   54.917   8.7302   46.567   11.126   68.291   14.082   80.658   10.179   97.422   10.667 -16.76343 14.74437 
1 1 1  -30   10   68 o   66.486   9.1981   33.542   7.8829   32.807   10.263   34.599   12.310   66.166   11.883   66.805   14.043 -0.6384430 18.39619 
1 1 1  -30   10   69 o   64.243   11.112   33.019   9.4578   33.985   14.964   32.377   12.204   64.268   16.942   64.218   14.382 0.4968262E-01 22.22305 
1 1 1  -30   10   70 o   67.591   10.789   36.990   9.6328   32.575   14.431   40.538   12.937   62.850   16.671   72.332   13.699 -9.482105 21.57755 
1 1 1  -30   10   71 o  102.841   8.3687   78.103   11.524   79.547   17.733   77.047   15.162  102.998   12.705  102.683   10.896 0.3148422 16.73732 
1 1 1  -30   10   72 o   66.514   10.482   37.456   9.7032   20.469   14.616   50.845   12.975   50.122   17.496   82.907   11.549 -32.78542 20.96363 
1 1 1  -30   10   73 o   53.965   15.474   23.908   11.903   0.0000   0.0000   23.908   11.903  ?   ?    53.965   15.474      ?      ? 
1 1 1  -30   10   74 o   56.692   15.596   26.621   12.357   0.0000   0.0000   26.621   12.357  ?   ?    56.692   15.596      ?      ? 
1 1 1  -30   10   75 o   30.737   13.496   0.3454   10.815   0.0000   0.0000   0.3454   10.815  ?   ?    30.737   13.496      ?      ? 
1 1 1  -30   10   76 o   59.576   15.494   29.635   12.626   0.0000   0.0000   29.635   12.626  ?   ?    59.576   15.494      ?      ? 
1 1 1  -30   10   77 o   41.011   15.777   12.094   12.353   0.0000   0.0000   12.094   12.353  ?   ?    41.011   15.777      ?      ? 
1 1 1  -30   11    1 o  177.547   4.5770  216.816   10.267  220.861   12.507  208.457   17.978  180.272   5.1196  174.822   7.5885 5.450409 9.153975 
1 1 1  -30   11    2 o  179.523   4.5758  219.776   10.412  220.458   12.668  218.356   18.277  180.105   5.1906  178.942   7.5373 1.162369 9.151656 
1 1 1  -30   11    3 o  131.731   4.5403  118.769   7.7377  120.352   9.6417  115.905   12.969  133.063   5.3470  130.399   7.3394 2.664734 9.080634 
1 1 1  -30   11    4 o  152.703   5.2277  158.960   10.817  160.529   15.246  157.370   15.349  153.469   7.3307  151.936   7.4550 1.532364 10.45543 
1 1 1  -30   11    5 o  174.517   4.7547  211.540   10.587  220.581   13.105  194.552   17.964  180.148   5.3683  168.886   7.8492 11.26208 9.509431 
1 1 1  -30   11    6 o  322.635   5.6290  710.131   22.297  710.174   26.442  710.026   41.480  323.115   6.0389  322.155   9.5014 0.9596558 11.25806 
1 1 1  -30   11    7 o  158.932   5.6121  171.722   12.087  171.722   12.087   0.0000   0.0000  158.932   5.6121  ?   ?       ?      ? 
1 1 1  -30   11    8 o  154.365   5.7057  162.010   11.935  162.010   11.935   0.0000   0.0000  154.365   5.7057  ?   ?       ?      ? 
1 1 1  -30   11    9 o  134.771   4.7690  121.294   8.5102  113.317   10.786  134.451   13.852  129.065   6.1668  140.477   7.2764 -11.41194 9.538097 
1 1 1  -30   11   10 o  374.034   6.0837  936.374   27.602  913.752   32.291  997.745   53.186  366.425   6.5031  381.644   10.284 -15.21909 12.16749 
1 1 1  -30   11   11 o  113.332   5.1672   89.044   7.7610   96.754   10.256   78.714   11.872  119.249   6.3467  107.414   8.1559 11.83496 10.33435 
1 1 1  -30   11   12 o  209.818   4.9062  295.093   13.140  286.258   15.969  313.613   23.120  205.194   5.7430  214.441   7.9561 -9.247131 9.812310 
1 1 1  -30   11   13 o  297.368   5.5035  603.839   20.359  605.305   24.389  600.468   36.980  298.332   6.0326  296.405   9.2065 1.927582 11.00692 
1 1 1  -30   11   14 o  257.654   5.2010  449.644   16.815  445.312   20.218  459.363   30.282  255.917   5.8299  259.391   8.6148 -3.473221 10.40206 
1 1 1  -30   11   15 o  118.789   5.8076   96.367   9.3294   94.631   13.568   97.924   12.849  117.744   8.5035  119.834   7.9123 -2.090202 11.61526 
1 1 1  -30   11   16 o  249.839   5.3136  434.120   16.719  450.373   20.418  401.054   29.124  257.364   5.8545  242.314   8.8693 15.04929 10.62728 
1 1 1  -30   11   17 o  287.096   5.5515  571.104   19.893  586.255   24.043  538.226   35.418  293.598   6.0431  280.594   9.3145 13.00439 11.10307 
1 1 1  -30   11   18 o  205.955   6.2717  289.081   17.363  294.832   26.392  284.692   23.055  207.659   9.3786  204.251   8.3295 3.408447 12.54345 
1 1 1  -30   11   19 o  110.634   6.0788   83.375   9.1030   87.989   13.259   79.262   12.520  113.521   8.6191  107.748   8.5743 5.772179 12.15764 
1 1 1  -30   11   20 o  361.248   6.2645  923.637   27.916  975.729   33.744  810.664   49.693  378.629   6.5766  343.867   10.664 34.76157 12.52892 
1 1 1  -30   11   21 o  121.880   6.5979  101.109   10.897  101.109   10.897   0.0000   0.0000  121.880   6.5979  ?   ?       ?      ? 
1 1 1  -30   11   22 o  147.226   5.2044  148.099   9.9270  149.068   12.370  146.345   16.639  148.029   6.1663  146.423   8.3856 1.606628 10.40874 
1 1 1  -30   11   23 o  154.387   5.2551  165.390   10.447  172.586   13.058  152.598   17.410  159.288   6.0496  149.485   8.5946 9.802475 10.51019 
1 1 1  -30   11   24 o  332.305   5.8979  753.982   24.085  754.230   28.584  753.373   44.723  332.921   6.3357  331.690   9.9498 1.231598 11.79577 
1 1 1  -30   11   25 o  180.176   5.0237  212.901   11.617  197.059   14.079  246.703   20.565  170.194   6.1043  190.158   7.9806 -19.96356 10.04747 
1 1 1  -30   11   26 o  154.784   5.0972  157.886   10.211  146.300   12.496  181.175   17.717  146.623   6.2890  162.945   8.0234 -16.32156 10.19438 
1 1 1  -30   11   27 o  132.046   5.5169  121.170   9.4405  127.264   11.914  110.888   15.476  136.734   6.4298  127.358   8.9668 9.375755 11.03386 
1 1 1  -30   11   28 f  174.844   5.3738  216.056   11.888  232.295   14.747  185.914   20.090  184.796   5.8886  164.892   8.9908 19.90392 10.74758 
1 1 1  -30   11   29 o  166.800   5.2356  187.232   11.324  181.465   14.000  198.144   19.258  163.275   6.3272  170.325   8.3434 -7.049789 10.47118 
1 1 1  -30   11   30 o  164.684   6.7485  184.809   14.731  190.118   23.555  181.400   18.878  166.445   10.443  162.924   8.5502 3.521042 13.49701 
1 1 1  -30   11   31 o  273.846   5.9642  517.427   21.518  535.284   27.663  490.073   34.239  280.180   7.2860  267.512   9.4447 12.66837 11.92846 
1 1 1  -30   11   32 o  245.993   5.7794  411.310   18.777  404.323   23.914  422.542   30.321  243.497   7.2474  248.490   9.0044 -4.993652 11.55875 
1 1 1  -30   11   33 o  147.104   5.7399  145.705   11.330  133.480   14.814  162.935   17.587  139.820   7.8184  154.387   8.4059 -14.56738 11.47986 
1 1 1  -30   11   34 o  157.975   5.3862  168.514   11.030  164.186   13.649  176.663   18.728  155.244   6.4879  160.707   8.5995 -5.462250 10.77238 
1 1 1  -30   11   35 o  174.204   6.1956  206.669   14.626  206.669   14.626   0.0000   0.0000  174.204   6.1956  ?   ?       ?      ? 
1 1 1  -30   11   36 o   93.040   8.1206   59.183   10.239   59.183   10.239   0.0000   0.0000   93.040   8.1206  ?   ?       ?      ? 
1 1 1  -30   11   37 o  140.525   5.6752  137.056   10.243  141.797   12.740  128.387   17.229  144.230   6.5182  136.820   9.2922 7.410370 11.35040 
1 1 1  -30   11   38 o  287.051   5.7480  557.425   20.401  548.533   24.222  579.126   37.841  283.705   6.3002  290.397   9.6159 -6.691498 11.49602 
1 1 1  -30   11   39 o  140.348   5.1914  135.308   9.7955  127.498   14.544  141.792   13.252  136.538   7.8602  144.159   6.7836 -7.621170 10.38273 
1 1 1  -30   11   40 o  142.388   5.1942  137.540   9.9482  146.447   15.193  130.855   13.163  146.342   7.6609  138.434   7.0164 7.907883 10.38841 
1 1 1  -30   11   41 o   77.176   7.0568   39.885   7.2653   47.768   11.588   34.780   9.3257   83.249   10.272   71.103   9.6786 12.14642 14.11353 
1 1 1  -30   11   42 o  111.540   5.7854   86.980   8.5477   74.644   12.936   96.540   11.388  104.219   9.1595  118.861   7.0700 -14.64265 11.57075 
1 1 1  -30   11   43 o   87.853   9.0030   58.170   8.7671   47.440   17.032   62.037   10.226   80.549   16.166   95.158   7.9299 -14.60892 18.00604 
1 1 1  -30   11   44 o   97.179   8.9345   74.056   9.3685   52.789   18.048   81.900   10.961   84.966   16.267  109.391   7.3940 -24.42449 17.86900 
1 1 1  -30   11   45 o   79.513   9.2711   43.550   9.9897   0.0000   0.0000   43.550   9.9897  ?   ?    79.513   9.2711      ?      ? 
1 1 1  -30   11   46 o  187.724   5.1330  243.268   12.949  218.830   18.902  264.879   17.775  178.612   7.8092  196.836   6.6637 -18.22328 10.26594 
1 1 1  -30   11   47 o   70.330   9.7357   36.246   8.1638   33.688   15.373   37.250   9.6346   67.241   16.893   73.419   9.6837 -6.178116 19.47136 
1 1 1  -30   11   48 o   47.495   11.951   14.178   9.8735   9.1552   14.056   19.070   13.872   43.008   16.750   51.982   17.052 -8.974220 23.90275 
1 1 1  -30   11   49 o  135.030   6.7486  123.408   11.855  116.741   14.655  136.027   20.163  130.213   8.3052  139.847   10.639 -9.633545 13.49714 
1 1 1  -30   11   50 o  105.632   7.4492   75.543   10.249   70.375   12.659   85.376   17.460  100.852   9.2624  110.412   11.669 -9.560165 14.89838 
1 1 1  -30   11   51 o  132.510   6.6850  109.518   11.367   83.790   13.684  166.818   20.421  110.005   9.1792  155.015   9.7211 -45.01012 13.37002 
1 1 1  -30   11   52 o  113.678   5.7164   89.239   8.7425   88.184   13.129   90.080   11.718  112.948   8.5779  114.409   7.5583 -1.461159 11.43276 
1 1 1  -30   11   53 o  162.332   5.1518  181.907   11.274  174.367   16.604  188.357   15.357  159.056   7.7032  165.609   6.8430 -6.553223 10.30368 
1 1 1  -30   11   54 o  254.723   5.1294  447.614   17.668  426.641   25.406  467.257   24.587  248.773   7.5362  260.674   6.9604 -11.90073 10.25872 
1 1 1  -30   11   55 f   34.188   9.2775   6.0712   6.0725   3.1162   9.6235   8.0264   7.8276   32.661   13.459   35.715   12.773 -3.054218 18.55504 
1 1 1  -30   11   56 o   36.159   9.2281   6.2464   6.0361   14.062   9.5485   1.0447   7.7900   44.190   14.120   28.127   11.886 16.06322 18.45617 
1 1 1  -30   11   57 o   30.658   8.7985   2.8933   5.8947  -1.7775   9.0994   6.2710   7.7379   27.911   12.312   33.404   12.572 -5.493517 17.59709 
1 1 1  -30   11   58 o   42.880   9.9813   11.566   7.1470   4.4688   9.5538   20.584   10.770   33.599   13.572   52.161   14.639 -18.56165 19.96251 
1 1 1  -30   11   59 o   44.905   11.105   14.069   8.2282   14.278   12.962   13.927   10.649   45.639   16.424   44.172   14.951 1.467648 22.20992 
1 1 1  -30   11   60 o   72.142   8.7074   38.518   8.1776   41.560   10.960   34.698   12.283   76.488   10.574   67.797   13.837 8.690773 17.41477 
1 1 1  -30   11   61 o   70.980   8.7960   37.878   8.0745   43.422   10.892   31.115   12.030   78.179   10.281   63.782   14.275 14.39656 17.59201 
1 1 1  -30   11   62 o   38.206   10.156   8.9604   7.2022   11.032   9.6831   6.3946   10.775   40.091   14.220   36.321   14.504 3.769505 20.31213 
1 1 1  -30   11   63 o   78.743   8.3372   46.050   8.4888   49.187   11.219   41.849   12.983   83.101   9.9627   74.385   13.371 8.716034 16.67435 
1 1 1  -30   11   64 o   93.313   9.2817   61.767   11.737   61.767   11.737   0.0000   0.0000   93.313   9.2817  ?   ?       ?      ? 
1 1 1  -30   11   65 o  107.119   8.4509   80.931   12.267   80.931   12.267   0.0000   0.0000  107.119   8.4509  ?   ?       ?      ? 
1 1 1  -30   11   66 o   88.555   8.7679   57.100   10.434   66.353   16.038   50.310   13.739   94.606   12.510   82.504   12.288 12.10177 17.53575 
1 1 1  -30   11   67 o   53.760   10.289   24.109   9.0322   5.1388   14.183   37.051   11.715   37.933   16.034   69.587   12.898 -31.65422 20.57765 
1 1 1  -30   11   68 o   71.914   10.706   41.227   9.9177   41.582   15.795   40.995   12.743   71.012   16.695   72.816   13.408 -1.803543 21.41241 
1 1 1  -30   11   69 o   42.832   10.976   11.360   8.4060   21.874   13.430   4.5872   10.779   51.567   16.771   34.097   14.164 17.47050 21.95217 
1 1 1  -30   11   70 o   61.075   11.385   30.892   9.4802   31.155   14.649   30.702   12.435   60.632   17.093   61.517   15.042 -0.8843536 22.76913 
1 1 1  -30   11   71 o   81.614   9.6376   50.704   10.325   61.901   15.825   42.404   13.625   90.206   12.946   73.023   14.281 17.18323 19.27526 
1 1 1  -30   11   72 o  118.348   10.574  102.950   16.958   0.0000   0.0000  102.950   16.958  ?   ?   118.348   10.574      ?      ? 
1 1 1  -30   11   73 o   72.545   14.391   42.317   13.649   0.0000   0.0000   42.317   13.649  ?   ?    72.545   14.391      ?      ? 
1 1 1  -30   11   74 o   61.011   15.857   31.424   13.230   0.0000   0.0000   31.424   13.230  ?   ?    61.011   15.857      ?      ? 
1 1 1  -30   11   75 o   28.915   13.218  -3.8460   11.579   0.0000   0.0000  -3.8460   11.579  ?   ?    28.915   13.218      ?      ? 
1 1 1  -30   11   76 o   77.181   15.197   49.531   15.329   0.0000   0.0000   49.531   15.329  ?   ?    77.181   15.197      ?      ? 
1 1 1  -30   12    1 o  217.534   5.0868  325.240   14.529  332.259   18.508  313.969   23.452  220.826   6.1849  214.242   8.0777 6.584381 10.17358 
1 1 1  -30   12    2 o  146.892   4.7627  146.051   9.2995  141.712   11.955  152.699   14.799  144.233   6.1164  149.551   7.3022 -5.317307 9.525359 
1 1 1  -30   12    3 o  119.839   5.4903   98.351   8.8741   95.676   13.101  100.618   12.063  118.275   8.1739  121.402   7.3322 -3.126564 10.98066 
1 1 1  -30   12    4 o   93.008   5.0259   59.415   6.2058   61.116   8.0750   56.961   9.6994   94.714   6.2914   91.301   7.8394 3.412926 10.05176 
1 1 1  -30   12    5 o  137.193   4.6530  128.069   8.3268  127.495   10.436  129.076   13.813  136.879   5.6264  137.508   7.4126 -0.6291962 9.306079 
1 1 1  -30   12    6 o  114.056   4.8026   87.512   7.2870   82.891   9.3432   94.688   11.643  110.317   6.2499  117.795   7.2938 -7.477531 9.605242 
1 1 1  -30   12    7 o  162.794   5.6312  180.323   12.423  180.323   12.423   0.0000   0.0000  162.794   5.6312  ?   ?       ?      ? 
1 1 1  -30   12    8 o  143.699   5.0165  146.857   9.2702  165.302   11.891  118.274   14.802  155.870   5.6295  131.527   8.3047 24.34299 10.03294 
1 1 1  -30   12    9 f   66.902   6.1921   30.734   5.5817   26.931   7.8814   34.560   7.9062   62.696   9.2764   71.108   8.2048 -8.412071 12.38425 
1 1 1  -30   12   10 o  162.252   4.8953  181.541   10.293  186.905   12.910  172.183   17.052  165.734   5.7482  158.770   7.9256 6.964066 9.790663 
1 1 1  -30   12   11 f   57.865   7.6525   23.746   5.7794   23.549   8.2301   23.938   8.1177   57.598   10.944   58.133   10.699 -0.5349884 15.30503 
1 1 1  -30   12   12 o  285.500   5.4833  560.202   19.620  566.404   23.695  546.678   34.992  288.452   6.0618  282.549   9.1389 5.903259 10.96652 
1 1 1  -30   12   13 o   67.825   7.2908   31.425   6.4708   39.357   9.8519   25.406   8.5812   75.773   9.5945   59.876   10.980 15.89659 14.58164 
1 1 1  -30   12   14 o  155.790   7.7950  165.714   16.457   0.0000   0.0000  165.714   16.457  ?   ?   155.790   7.7950      ?      ? 
1 1 1  -30   12   15 o   92.801   8.9210   66.869   9.0915   47.636   17.148   74.389   10.722   81.201   16.152  104.401   7.5789 -23.20020 17.84208 
1 1 1  -30   12   16 o  166.510   5.2484  187.684   11.767  176.825   15.620  201.936   17.895  161.024   7.1581  171.995   7.6776 -10.97098 10.49683 
1 1 1  -30   12   17 o   70.623   7.3616   33.919   7.0095   38.695   10.511   30.093   9.4066   75.064   10.333   66.183   10.488 8.880470 14.72319 
1 1 1  -30   12   18 o  289.641   5.9016  576.731   22.587  588.905   29.073  558.195   35.875  293.817   7.3017  285.465   9.2738 8.352814 11.80329 
1 1 1  -30   12   19 o   64.255   7.6801   28.762   6.4908   29.261   9.8260   28.376   8.6457   64.198   11.727   64.311   9.9204 -0.1132431 15.36013 
1 1 1  -30   12   20 o  162.950   7.0489  181.064   15.565  181.064   15.565   0.0000   0.0000  162.950   7.0489  ?   ?       ?      ? 
1 1 1  -30   12   21 o   54.065   8.5989   21.398   6.3332   14.017   9.4769   27.355   8.5132   44.995   14.027   63.135   9.9504 -18.13957 17.19779 
1 1 1  -30   12   22 o  144.432   5.4435  139.277   10.529  115.803   13.813  171.827   16.266  130.211   7.8283  158.652   7.5659 -28.44112 10.88698 
1 1 1  -30   12   23 o  168.805   5.0976  195.398   11.103  197.732   13.789  191.096   18.723  170.427   5.9705  167.183   8.2641 3.244049 10.19518 
1 1 1  -30   12   24 o  112.708   5.4602   86.390   8.1397   85.085   10.397   88.457   13.082  111.707   6.8684  113.710   8.4900 -2.003548 10.92041 
1 1 1  -30   12   25 o  138.294   5.2871  131.880   9.5032  135.424   11.955  125.797   15.663  140.999   6.2567  135.588   8.5246 5.411713 10.57428 
1 1 1  -30   12   26 o   83.915   6.5995   50.164   7.2018   58.314   9.5033   39.170   11.038   92.404   7.5893   75.427   10.799 16.97652 13.19894 
1 1 1  -30   12   27 o  131.234   5.3584  117.842   9.2301  118.478   11.702  116.796   15.016  131.836   6.5500  130.632   8.4823 1.204193 10.71686 
1 1 1  -30   12   28 o  144.895   5.1868  136.607   9.8332  119.351   12.137  169.576   16.776  132.286   6.7703  157.504   7.8597 -25.21773 10.37358 
1 1 1  -30   12   29 o  233.078   5.8591  376.168   18.232  404.212   24.392  340.661   27.446  243.274   7.3988  222.883   9.0869 20.39114 11.71813 
1 1 1  -30   12   30 o  128.360   5.5101  112.087   9.2828  110.414   11.709  114.917   15.230  127.216   6.7920  129.504   8.6782 -2.287498 11.02015 
1 1 1  -30   12   31 o  161.692   5.2104  174.501   10.912  165.323   13.414  192.454   18.761  155.723   6.3567  167.661   8.2574 -11.93872 10.42072 
1 1 1  -30   12   32 o  190.334   5.3412  250.074   12.969  255.069   15.952  240.334   22.274  193.461   6.0846  187.206   8.7801 6.255249 10.68237 
1 1 1  -30   12   33 o  245.332   5.4500  411.189   16.790  410.315   20.243  413.117   30.055  245.352   6.0883  245.312   9.0411 0.3967285E-01 10.89995 
1 1 1  -30   12   34 o  139.472   6.6230  132.761   12.518  132.761   12.518   0.0000   0.0000  139.472   6.6230  ?   ?       ?      ? 
1 1 1  -30   12   35 o   92.053   8.2522   58.082   10.294   58.082   10.294   0.0000   0.0000   92.053   8.2522  ?   ?       ?      ? 
1 1 1  -30   12   36 o  114.032   6.4786   89.439   10.007   90.902   14.027   87.923   14.280  115.011   9.0002  113.053   9.3212 1.958046 12.95712 
1 1 1  -30   12   37 o  159.288   5.9245  171.059   12.674  146.503   16.734  204.094   19.409  146.098   8.4522  172.478   8.3040 -26.37971 11.84892 
1 1 1  -30   12   38 o  102.408   6.9725   72.574   9.5803   60.228   13.381   85.560   13.723   93.304   10.583  111.511   9.0812 -18.20735 13.94500 
1 1 1  -30   12   39 o  170.941   5.9710  200.586   13.758  199.262   18.501  202.224   20.577  170.427   8.0109  171.454   8.8564 -1.026764 11.94198 
1 1 1  -30   12   40 o  103.138   6.2530   71.828   8.5641   66.717   10.911   80.029   13.822   98.568   8.1685  107.708   9.4698 -9.140266 12.50607 
1 1 1  -30   12   41 o  313.869   5.9221  661.983   22.806  641.962   26.851  713.817   43.205  306.465   6.4655  321.273   9.9238 -14.80774 11.84418 
1 1 1  -30   12   42 o   50.160   10.263   18.239   7.4071   20.434   10.470   16.040   10.480   52.846   14.281   47.473   14.743 5.372860 20.52555 
1 1 1  -30   12   43 o   87.373   7.9991   52.346   8.4672   55.245   16.261   51.268   9.9178   88.464   13.564   86.282   8.4823 2.181931 15.99811 
1 1 1  -30   12   44 o  142.585   6.5810  143.219   11.414  134.388   21.154  146.846   13.556  138.763   11.249  146.406   6.8329 -7.643646 13.16198 
1 1 1  -30   12   45 o  224.079   4.9783  345.503   15.066  324.670   21.758  364.693   20.882  217.433   7.3844  230.726   6.6788 -13.29269 9.956664 
1 1 1  -30   12   46 o   46.311   9.2355   16.025   6.2653   10.003   9.7706   20.230   8.1651   39.887   14.269   52.736   11.729 -12.84879 18.47092 
1 1 1  -30   12   47 o   48.150   9.2056   17.378   6.2256   13.147   9.6976   20.345   8.1197   43.435   14.258   52.864   11.649 -9.429058 18.41125 
1 1 1  -30   12   48 o  123.662   5.5231  107.629   9.0506   86.636   13.258  125.950   12.385  111.862   8.7462  135.462   6.7470 -23.60039 11.04615 
1 1 1  -30   12   49 o   60.383   10.050   24.684   8.1193   15.519   10.177   40.732   13.467   46.364   14.549   74.401   13.867 -28.03669 20.09913 
1 1 1  -30   12   50 o   96.575   7.4454   61.900   9.4213   52.411   11.644   79.892   16.033   86.616   9.9198  106.535   11.106 -19.91824 14.89089 
1 1 1  -30   12   51 o  110.373   5.6847   83.676   8.4350   89.208   12.915   79.561   11.139  113.423   8.4027  107.323   7.6588 6.100136 11.36935 
1 1 1  -30   12   52 o  128.294   5.4718  115.557   9.3619   97.200   13.678  131.734   12.841  118.279   8.5339  138.308   6.8511 -20.02852 10.94366 
1 1 1  -30   12   53 o  188.612   5.1030  247.533   12.938  220.938   18.771  271.600   17.857  178.613   7.7553  198.612   6.6347 -19.99907 10.20609 
1 1 1  -30   12   54 o   70.014   10.674   37.230   9.6975   37.283   15.182   37.193   12.604   69.436   16.396   70.592   13.670 -1.155540 21.34711 
1 1 1  -30   12   55 o  126.627   11.425  114.430   19.606  114.430   19.606   0.0000   0.0000  126.627   11.425  ?   ?       ?      ? 
1 1 1  -30   12   56 o  119.985   8.2999  100.436   13.495  100.436   13.495   0.0000   0.0000  119.985   8.2999  ?   ?       ?      ? 
1 1 1  -30   12   57 o   58.389   12.874   25.657   9.9122   25.657   9.9122   0.0000   0.0000   58.389   12.874  ?   ?       ?      ? 
1 1 1  -30   12   58 o  136.330   7.3770  132.474   13.525  132.619   20.394  132.360   18.072  135.973   11.068  136.686   9.7563 -0.7139435 14.75406 
1 1 1  -30   12   59 o   31.977   9.3942   3.1516   6.7004   4.1554   8.9961   1.9008   10.042   32.285   13.124   31.669   13.444 0.6160583 18.78831 
1 1 1  -30   12   60 o   97.942   6.8182   66.793   8.9052   60.686   11.432   76.218   14.202   92.616   9.1085  103.268   10.148 -10.65243 13.63645 
1 1 1  -30   12   61 o   53.595   9.9082   22.085   7.2172   20.242   9.5044   24.596   11.092   51.172   13.508   56.017   14.499 -4.844967 19.81640 
1 1 1  -30   12   62 o   59.720   9.9836   29.499   8.7697   12.692   13.398   42.097   11.600   43.387   16.493   76.053   11.255 -32.66586 19.96728 
1 1 1  -30   12   63 o   58.720   16.526   28.218   13.706   28.218   13.706   0.0000   0.0000   58.720   16.526  ?   ?       ?      ? 
1 1 1  -30   12   64 o  120.675   7.9243  108.288   12.644   84.965   18.200  130.044   17.578  106.732   12.583  134.618   9.6357 -27.88537 15.84861 
1 1 1  -30   12   65 o   79.199   9.8376   50.486   9.8902   35.458   14.716   62.863   13.356   65.472   16.572   92.926   10.606 -27.45406 19.67521 
1 1 1  -30   12   66 o   69.788   10.726   39.448   9.7515   37.496   15.076   40.853   12.786   67.131   16.653   72.445   13.522 -5.313255 21.45109 
1 1 1  -30   12   67 o   51.417   10.712   21.971   8.8096   9.6183   13.481   31.176   11.638   40.214   16.165   62.620   14.059 -22.40657 21.42376 
1 1 1  -30   12   68 o   91.811   9.7993   68.229   11.164   46.657   16.456   86.621   15.195   74.712   16.676  108.911   10.296 -34.19901 19.59850 
1 1 1  -30   12   69 o   68.340   10.875   38.215   9.7886   39.409   14.616   37.244   13.181   68.864   15.973   67.817   14.761 1.046448 21.74899 
1 1 1  -30   12   70 o  103.950   11.355   80.614   15.995   0.0000   0.0000   80.614   15.995  ?   ?   103.950   11.355      ?      ? 
1 1 1  -30   12   71 o   38.926   15.343   9.8719   11.913   0.0000   0.0000   9.8719   11.913  ?   ?    38.926   15.343      ?      ? 
1 1 1  -30   12   72 o   29.163   13.216  -2.7319   11.265   0.0000   0.0000  -2.7319   11.265  ?   ?    29.163   13.216      ?      ? 
1 1 1  -30   12   73 o   61.588   15.632   32.275   13.068   0.0000   0.0000   32.275   13.068  ?   ?    61.588   15.632      ?      ? 
1 1 1  -30   12   74 o   32.071   14.013   1.8960   11.537   0.0000   0.0000   1.8960   11.537  ?   ?    32.071   14.013      ?      ? 
1 1 1  -30   13    1 o  100.069   4.7867   68.713   6.1988   69.363   7.7207   67.534   10.398  100.870   5.6482   99.268   7.7297 1.602333 9.573449 
1 1 1  -30   13    2 o   75.600   5.2790   38.996   5.3158   38.407   6.8860   39.864   8.3627   74.965   6.7784   76.235   8.0949 -1.269203 10.55809 
1 1 1  -30   13    3 o  218.694   5.4421  328.407   15.948  333.241   21.129  322.008   24.312  220.755   7.0628  216.632   8.2814 4.122787 10.88420 
1 1 1  -30   13    4 o   95.722   5.1712   64.049   6.4719   68.718   8.3247   56.915   10.290  100.366   6.1207   91.078   8.3369 9.287575 10.34248 
1 1 1  -30   13    5 o  137.432   4.8856  131.336   8.6225  136.670   10.740  121.662   14.463  141.628   5.5958  133.237   8.0102 8.391083 9.771266 
1 1 1  -30   13    6 o  102.458   6.3004   71.627   8.7477   71.627   8.7477   0.0000   0.0000  102.458   6.3004  ?   ?       ?      ? 
1 1 1  -30   13    7 o  113.992   6.1886   88.631   9.5599   88.631   9.5599   0.0000   0.0000  113.992   6.1886  ?   ?       ?      ? 
1 1 1  -30   13    8 o   62.756   6.4671   27.000   5.4883   24.673   7.5744   29.573   7.9635   59.897   9.3317   65.614   8.9562 -5.717548 12.93424 
1 1 1  -30   13    9 f   85.779   7.0286   51.069   7.8044   49.380   13.015   52.017   9.7522   84.443   11.374   87.114   8.2610 -2.670784 14.05725 
1 1 1  -30   13   10 o  207.761   6.1498  296.759   17.223  290.453   25.549  302.011   23.317  205.588   9.1706  209.935   8.1962 -4.346771 12.29953 
1 1 1  -30   13   11 o  184.544   5.0038  236.792   11.813  245.926   14.647  219.791   19.982  189.998   5.6887  179.090   8.2336 10.90805 10.00767 
1 1 1  -30   13   12 o   63.540   7.0000   28.218   5.8241   23.215   8.0774   33.635   8.4055   57.080   10.839   69.999   8.8611 -12.91895 14.00000 
1 1 1  -30   13   13 o  165.867   5.4482  186.954   12.203  169.109   16.514  208.419   18.111  157.198   7.7520  174.536   7.6575 -17.33789 10.89636 
1 1 1  -30   13   14 f  275.629   5.9103  523.252   21.731  536.081   28.540  505.557   33.520  279.968   7.5225  271.289   9.1179 8.678864 11.82051 
1 1 1  -30   13   15 o   81.958   6.1171   45.757   6.7585   39.743   9.1797   52.875   9.9870   76.088   8.9029   87.827   8.3912 -11.73908 12.23411 
1 1 1  -30   13   16 f  275.376   5.4291  516.443   18.661  512.701   22.361  525.026   33.867  274.255   6.0167  276.496   9.0387 -2.240784 10.85817 
1 1 1  -30   13   17 o  152.082   5.0885  159.608   10.053  163.754   12.636  152.459   16.593  154.994   6.0161  149.169   8.2084 5.824753 10.17701 
1 1 1  -30   13   18 o   73.277   6.6769   37.535   6.5150   42.031   8.8184   32.132   9.6672   78.310   8.3098   68.244   10.453 10.06631 13.35378 
1 1 1  -30   13   19 o  185.355   5.9049  234.152   14.832  234.152   14.832   0.0000   0.0000  185.355   5.9049  ?   ?       ?      ? 
1 1 1  -30   13   20 o  205.646   5.1623  291.446   13.506  296.059   16.550  282.248   23.369  208.428   5.8596  202.863   8.5007 5.564911 10.32460 
1 1 1  -30   13   21 o   88.427   5.9723   52.200   7.0119   39.602   9.1906   69.746   10.847   75.936   8.9312  100.918   7.9312 -24.98145 11.94450 
1 1 1  -30   13   22 o   72.697   6.6429   36.083   6.4678   29.037   8.7732   44.471   9.5727   64.910   9.9739   80.483   8.7770 -15.57324 13.28589 
1 1 1  -30   13   23 o  115.840   5.4206   92.318   8.3156   94.163   10.744   89.561   13.133  117.422   6.7517  114.257   8.4822 3.165016 10.84129 
1 1 1  -30   13   24 o  101.385   5.6104   68.929   7.6074   61.621   9.8353   79.811   12.002   94.877   7.6497  107.893   8.2090 -13.01533 11.22076 
1 1 1  -30   13   25 o  139.878   5.1284  132.223   9.4259  127.547   11.857  140.253   15.537  136.702   6.4008  143.054   8.0145 -6.352600 10.25681 
1 1 1  -30   13   26 o  102.573   6.2540   72.437   8.6728   67.252   12.323   77.526   12.209   98.870   9.1972  106.275   8.4772 -7.405197 12.50805 
1 1 1  -30   13   27 o  214.491   6.9116  311.450   19.480  340.571   32.289  294.786   24.426  221.844   10.741  207.138   8.7018 14.70576 13.82325 
1 1 1  -30   13   28 o   76.278   10.256   41.672   9.0624   41.775   17.947   41.637   10.499   74.891   17.923   77.666   9.9758 -2.775391 20.51209 
1 1 1  -30   13   29 o   95.179   6.8088   62.294   8.7664   67.649   12.757   57.504   12.067   99.065   9.5028   91.293   9.7536 7.771576 13.61755 
1 1 1  -30   13   30 o   66.665   8.8486   34.519   7.5013   18.721   11.384   46.641   9.9722   51.006   15.274   82.324   8.9388 -31.31843 17.69719 
1 1 1  -30   13   31 o   93.399   6.2855   60.348   7.8600   62.205   10.441   57.918   11.940   95.190   8.0941   91.607   9.6186 3.583336 12.57107 
1 1 1  -30   13   32 o  136.806   5.3727  126.146   9.6666  119.763   12.142  137.196   15.974  132.325   6.7712  141.286   8.3434 -8.961487 10.74533 
1 1 1  -30   13   33 o   53.098   12.440   20.480   8.7947   20.480   8.7947   0.0000   0.0000   53.098   12.440  ?   ?       ?      ? 
1 1 1  -30   13   34 o  150.759   6.3524  155.352   12.978  155.352   12.978   0.0000   0.0000  150.759   6.3524  ?   ?       ?      ? 
1 1 1  -30   13   35 o   47.917   9.0391   15.691   6.2626   8.6556   8.3148   24.915   9.5204   37.219   13.180   58.615   12.374 -21.39555 18.07822 
1 1 1  -30   13   36 o   69.087   7.6446   34.246   6.8205   37.335   9.0463   30.177   10.383   73.534   9.0781   64.640   12.302 8.894592 15.28913 
1 1 1  -30   13   37 f  109.819   5.8224   83.288   8.4247   84.147   10.763   81.931   13.537  110.763   7.1706  108.876   9.1751 1.887444 11.64476 
1 1 1  -30   13   38 o   53.924   8.7507   20.922   6.2733   16.962   8.4589   25.762   9.3519   48.212   12.751   59.636   11.988 -11.42449 17.50139 
1 1 1  -30   13   39 o   64.049   8.1016   29.869   6.7328   34.718   9.1351   24.103   9.9617   70.766   9.5259   57.332   13.107 13.43396 16.20328 
1 1 1  -30   13   40 o  143.385   5.4908  143.088   10.204  147.200   12.805  135.935   16.889  146.589   6.4462  140.181   8.8904 6.407333 10.98153 
1 1 1  -30   13   41 o   45.451   9.5781   15.050   6.3708   16.669   8.5314   13.010   9.5785   47.703   12.891   43.199   14.169 4.503777 19.15612 
1 1 1  -30   13   42 o   89.637   7.1772   56.405   8.5435   43.136   11.895   70.543   12.279   78.396   11.197  100.878   8.9820 -22.48176 14.35432 
1 1 1  -30   13   43 o  144.553   6.1066  145.648   11.881  158.237   16.410  131.779   17.224  151.383   7.9993  137.723   9.2289 13.66008 12.21318 
1 1 1  -30   13   44 o  133.652   5.6365  122.706   9.7761  120.958   12.152  125.913   16.460  132.673   6.7587  134.630   9.0222 -1.956116 11.27296 
1 1 1  -30   13   45 o  106.797   6.4511   83.611   8.7140   94.893   11.050   65.057   14.171  117.430   6.9441   96.164   10.874 21.26537 12.90213 
1 1 1  -30   13   46 o  145.203   5.1914  147.194   10.085  129.662   14.876  162.104   13.718  136.854   8.0213  153.551   6.5926 -16.69704 10.38285 
1 1 1  -30   13   47 o   85.306   6.3864   51.739   7.1706   45.630   11.150   56.047   9.3641   80.594   10.209   90.018   7.6763 -9.424095 12.77289 
1 1 1  -30   13   48 o  179.752   6.2094  221.727   14.440  213.896   17.803  236.788   24.688  175.872   7.4699  183.633   9.9211 -7.761276 12.41890 
1 1 1  -30   13   49 o   40.107   9.9468   10.600   6.8129   7.1925   9.7018   13.914   9.5692   36.376   13.985   43.838   14.148 -7.461937 19.89361 
1 1 1  -30   13   50 o  192.429   5.7316  251.013   14.606  228.714   18.470  288.241   23.865  181.669   7.5023  203.189   8.6671 -21.52028 11.46310 
1 1 1  -30   13   51 o   32.038   9.3096   3.1541   6.5559   5.5270   9.1851   0.6898   9.3604   34.057   13.457   30.019   12.868 4.037849 18.61911 
1 1 1  -30   13   52 o  133.282   6.4449  129.018   11.213  151.715   14.996  100.236   16.886  147.807   7.4867  118.758   10.493 29.04888 12.88981 
1 1 1  -30   13   53 o   64.106   9.0896   30.421   7.5938   25.812   10.149   36.283   11.446   58.409   13.140   69.802   12.563 -11.39333 18.17916 
1 1 1  -30   13   54 o   51.403   9.8004   20.543   7.2394   26.501   9.9018   13.700   10.611   59.282   12.707   43.523   14.924 15.75898 19.60075 
1 1 1  -30   13   55 o   53.183   9.4633   20.896   7.1722   11.585   9.6311   32.487   10.746   40.585   14.200   65.781   12.513 -25.19537 18.92659 
1 1 1  -30   13   56 f   84.148   8.9058   50.802   9.9623   58.731   16.078   45.860   12.692   88.944   13.339   79.352   11.803 9.592606 17.81166 
1 1 1  -30   13   57 o   64.622   10.905   31.985   9.2879   40.117   14.858   26.769   11.899   71.027   15.840   58.217   14.992 12.80996 21.80997 
1 1 1  -30   13   58 o  117.248   7.9273  103.358   12.008   72.633   17.478  130.826   16.526   98.715   13.065  135.782   8.9813 -37.06625 15.85459 
1 1 1  -30   13   59 o   96.210   8.4778   69.369   10.769   60.988   16.467   75.632   14.235   90.003   13.502  102.417   10.257 -12.41479 16.95563 
1 1 1  -30   13   60 o   64.131   10.183   35.280   9.2906   15.583   14.434   49.214   12.140   46.072   17.204   82.191   10.900 -36.11879 20.36594 
1 1 1  -30   13   61 o   72.783   10.309   45.048   9.8159   24.968   14.999   60.089   12.982   54.647   17.722   90.919   10.536 -36.27214 20.61725 
1 1 1  -30   13   64 o   28.584   13.278  -7.1399   12.370  -7.1399   12.370   0.0000   0.0000   28.584   13.278  ?   ?       ?      ? 
1 1 1  -30   13   65 o   38.272   10.968   8.0808   8.8927   10.370   12.668   5.8569   12.487   40.120   15.819   36.425   15.198 3.694435 21.93665 
1 1 1  -30   13   66 o   52.819   11.530   23.537   9.0788   22.610   13.507   24.301   12.262   51.708   16.820   53.930   15.777 -2.221352 23.06083 
1 1 1  -30   13   67 o   62.601   11.412   33.472   9.7805   29.732   14.693   36.448   13.106   58.418   17.320   66.783   14.865 -8.365128 22.82378 
1 1 1  -30   13   68 o   42.044   11.184   13.197   8.7831   9.4154   13.452   16.007   11.596   39.455   16.045   44.633   15.584 -5.177937 22.36728 
1 1 1  -30   13   69 o   61.677   15.313   31.920   12.739   0.0000   0.0000   31.920   12.739  ?   ?    61.677   15.313      ?      ? 
1 1 1  -30   13   70 o   94.786   11.836   68.501   15.203   0.0000   0.0000   68.501   15.203  ?   ?    94.786   11.836      ?      ? 
1 1 1  -30   13   71 o   67.761   15.137   38.701   13.549   0.0000   0.0000   38.701   13.549  ?   ?    67.761   15.137      ?      ? 
1 1 1  -30   13   72 o   51.149   16.296   23.226   12.726   0.0000   0.0000   23.226   12.726  ?   ?    51.149   16.296      ?      ? 
1 1 1  -30   13   73 o   35.676   14.987   6.7526   12.267   0.0000   0.0000   6.7526   12.267  ?   ?    35.676   14.987      ?      ? 
1 1 1  -30   14    1 o   50.090   6.7542   18.187   4.3561   19.937   5.6359   15.591   6.8655   53.832   7.7257   46.347   11.081 7.484844 13.50840 
1 1 1  -30   14    2 o   99.753   5.8340   68.532   7.8834   70.926   11.314   66.273   10.991  101.449   8.2296   98.056   8.2714 3.392860 11.66798 
1 1 1  -30   14    3 o   53.243   7.1354   20.586   4.9335   23.422   6.5556   16.881   7.4920   58.300   8.2978   48.187   11.610 10.11228 14.27075 
1 1 1  -30   14    4 o  109.129   5.0171   82.588   7.0982   84.974   8.9094   78.441   11.745  111.516   5.8956  106.742   8.1197 4.773224 10.03429 
1 1 1  -30   14    5 o   80.691   6.8459   45.204   7.4164   44.356   11.215   45.862   9.8868   79.888   10.359   81.493   8.9527 -1.604195 13.69183 
1 1 1  -30   14    6 o   93.636   7.9843   60.303   10.131   60.303   10.131   0.0000   0.0000   93.636   7.9843  ?   ?       ?      ? 
1 1 1  -30   14    7 o  125.938   4.9235  107.566   8.1082  104.551   10.144  112.902   13.494  123.692   6.0516  128.185   7.7680 -4.493492 9.846995 
1 1 1  -30   14    8 o  103.696   5.2126   72.816   7.1615   69.450   9.1190   78.233   11.568  100.725   6.6808  106.668   8.0031 -5.942924 10.42512 
1 1 1  -30   14    9 o   70.261   6.2748   33.976   5.9386   33.384   7.9443   34.725   8.9404   69.631   8.4192   70.891   9.3064 -1.260468 12.54960 
1 1 1  -30   14   10 o   50.512   7.8578   18.489   5.2539   14.988   7.4040   22.042   7.4567   45.478   11.883   55.545   10.285 -10.06693 15.71566 
1 1 1  -30   14   11 f  161.134   6.3113  177.503   13.781  177.503   13.781   0.0000   0.0000  161.134   6.3113  ?   ?       ?      ? 
1 1 1  -30   14   12 o  150.785   5.4888  155.618   11.196  147.186   15.298  165.345   16.430  146.415   7.7102  155.156   7.8140 -8.741943 10.97756 
1 1 1  -30   14   13 o  126.720   5.6581  110.396   9.7126  113.140   13.682  107.608   13.790  128.337   7.8670  125.102   8.1343 3.235130 11.31619 
1 1 1  -30   14   14 o   82.510   6.0906   47.847   6.6406   52.555   8.7715   41.525   10.164   87.540   7.3941   77.481   9.6804 10.05861 12.18125 
1 1 1  -30   14   15 o  235.711   5.1583  373.843   15.242  362.744   18.233  399.592   27.771  230.507   5.8372  240.915   8.5064 -10.40843 10.31656 
1 1 1  -30   14   16 f   81.985   6.0117   45.821   6.6407   42.150   8.8312   50.597   10.074   78.270   8.3261   85.700   8.6741 -7.429977 12.02349 
1 1 1  -30   14   17 o  117.939   5.3342   94.591   8.3060   91.778   10.544   99.192   13.484  115.802   6.7189  120.077   8.2868 -4.274879 10.66836 
1 1 1  -30   14   18 o  154.080   6.1016  162.199   12.740  162.199   12.740   0.0000   0.0000  154.080   6.1016  ?   ?       ?      ? 
1 1 1  -30   14   19 o  158.621   5.1088  169.773   10.504  163.515   12.967  181.718   17.915  154.682   6.1859  162.560   8.1323 -7.877701 10.21762 
1 1 1  -30   14   20 f   50.108   8.6266   18.492   5.8809   22.554   8.1020   13.970   8.5497   56.009   11.067   44.207   13.236 11.80153 17.25315 
1 1 1  -30   14   21 o   72.210   6.9769   35.372   6.4380   24.668   8.3918   50.684   10.037   58.659   10.960   85.761   8.6364 -27.10204 13.95376 
1 1 1  -30   14   22 o  109.046   5.5201   80.669   7.9462   77.326   10.061   86.211   12.956  106.232   6.9886  111.860   8.5468 -5.628639 11.04030 
1 1 1  -30   14   23 o  131.800   5.1324  115.094   8.8957  103.582   11.093  135.839   14.890  123.008   6.6546  140.592   7.8156 -17.58440 10.26485 
1 1 1  -30   14   24 o   98.642   5.6032   64.962   7.3714   56.080   9.4589   78.698   11.763   90.341   7.7263  106.942   8.1171 -16.60085 11.20639 
1 1 1  -30   14   25 o   78.373   6.3433   41.243   6.6280   32.794   8.6480   53.271   10.319   68.865   9.2669   87.881   8.6645 -19.01580 12.68659 
1 1 1  -30   14   26 o  103.615   6.4099   74.831   8.6153   49.113   11.795  104.244   12.614   84.047   10.356  123.183   7.5565 -39.13589 12.81988 
1 1 1  -30   14   27 o   54.357   9.1994   21.468   6.6526   23.419   10.048   19.946   8.8772   56.488   13.339   52.226   12.672 4.261692 18.39874 
1 1 1  -30   14   28 o  105.112   5.8199   78.398   7.9080   85.086   10.071   67.643   12.771  111.437   6.6689   98.787   9.5400 12.64938 11.63987 
1 1 1  -30   14   29 o   45.141   8.9319   14.927   5.7875   18.099   7.8710   11.193   8.5392   49.837   11.831   40.445   13.384 9.392460 17.86384 
1 1 1  -30   14   30 o   81.525   6.3083   44.207   6.8260   34.742   8.7681   58.770   10.876   70.833   9.1346   92.218   8.7027 -21.38526 12.61657 
1 1 1  -30   14   31 o   88.189   6.9137   58.892   7.5142   74.470   9.8026   36.696   11.701  104.163   6.9446   72.215   11.957 31.94780 13.82737 
1 1 1  -30   14   32 o   67.678   9.5245   31.811   8.7351   31.811   8.7351   0.0000   0.0000   67.678   9.5245  ?   ?       ?      ? 
1 1 1  -30   14   33 o  120.070   5.3992   94.974   8.5180   82.833   10.584  117.291   14.350  109.783   7.1144  130.357   8.1235 -20.57409 10.79847 
1 1 1  -30   14   34 o  108.594   6.1081   86.120   8.4445  100.220   10.886   64.815   13.381  120.844   6.6475   96.343   10.249 24.50131 12.21619 
1 1 1  -30   14   35 o   55.097   8.6812   22.217   6.2741   21.916   8.3345   22.611   9.5311   54.833   11.580   55.362   12.937 -0.5288010 17.36246 
1 1 1  -30   14   36 o  102.469   5.7704   71.820   7.7970   69.306   9.8686   75.994   12.719  100.325   7.2588  104.613   8.9721 -4.288414 11.54074 
1 1 1  -30   14   37 o   67.485   7.1182   31.252   6.4472   26.677   8.4898   37.485   9.9093   61.744   10.147   73.227   9.9859 -11.48295 14.23631 
1 1 1  -30   14   38 o  132.958   5.5552  124.921   9.5316  132.212   12.011  112.522   15.664  138.761   6.3877  127.154   9.0904 11.60765 11.11030 
1 1 1  -30   14   39 o   46.016   9.1094   15.784   6.1107   20.234   8.2874   10.482   9.0458   52.430   11.933   39.602   13.767 12.82782 18.21884 
1 1 1  -30   14   40 o   62.237   7.8566   26.967   6.4013   21.595   8.3257   34.734   10.011   54.228   11.675   70.247   10.517 -16.01896 15.71315 
1 1 1  -30   14   41 o   88.425   7.1280   54.944   8.5403   55.549   12.033   54.329   12.124   88.946   9.9827   87.904   10.177 1.042870 14.25601 
1 1 1  -30   14   42 o  200.110   5.3497  271.793   13.523  262.635   16.275  292.216   24.303  195.492   6.1434  204.728   8.7600 -9.236206 10.69946 
1 1 1  -30   14   43 o   41.494   9.6077   11.192   6.7949   3.3714   9.5976   19.052   9.6213   32.652   13.447   50.335   13.727 -17.68302 19.21534 
1 1 1  -30   14   44 o   51.618   9.7696   20.228   7.0516   23.752   9.7921   16.432   10.163   56.260   13.090   46.975   14.506 9.284916 19.53927 
1 1 1  -30   14   45 f  129.187   5.9772  115.002   10.344  107.186   13.474  126.223   16.144  124.103   8.0116  134.272   8.8725 -10.16954 11.95437 
1 1 1  -30   14   46 o  136.492   7.9428  129.734   14.691  129.734   14.691   0.0000   0.0000  136.492   7.9428  ?   ?       ?      ? 
1 1 1  -30   14   47 o   99.299   9.0223   69.300   12.141   69.300   12.141   0.0000   0.0000   99.299   9.0223  ?   ?       ?      ? 
1 1 1  -30   14   48 o   59.472   9.3179   26.832   7.3021   27.427   10.016   26.156   10.669   60.412   12.640   58.532   13.694 1.880482 18.63590 
1 1 1  -30   14   49 o  106.820   6.4199   80.662   9.1853   81.778   12.166   79.183   14.008  108.022   8.3107  105.618   9.7875 2.403557 12.83986 
1 1 1  -30   14   50 o   53.488   9.6064   21.694   7.0325   17.127   9.5305   27.152   10.420   47.311   13.928   59.665   13.234 -12.35345 19.21288 
1 1 1  -30   14   51 o   59.498   8.9928   26.176   7.2068   18.837   9.7224   35.127   10.737   49.385   13.926   69.611   11.382 -20.22590 17.98570 
1 1 1  -30   14   52 o   70.944   8.3400   37.658   7.7074   41.978   10.518   32.649   11.327   76.534   10.141   65.354   13.243 11.17976 16.67997 
1 1 1  -30   14   53 o  189.604   5.7865  246.736   14.535  224.812   18.394  283.185   23.716  179.182   7.5752  200.027   8.7494 -20.84430 11.57307 
1 1 1  -30   14   54 o   73.695   9.6666   40.767   9.1621   44.399   15.052   38.629   11.548   74.843   15.356   72.547   11.746 2.296570 19.33310 
1 1 1  -30   14   55 o   58.811   13.599   26.980   10.622   0.0000   0.0000   26.980   10.622  ?   ?    58.811   13.599      ?      ? 
1 1 1  -30   14   56 o   98.708   8.0714   71.133   10.596   73.868   16.754   69.309   13.679   99.580   12.415   97.836   10.318 1.744118 16.14290 
1 1 1  -30   14   57 o   92.138   8.3583   62.859   10.182   62.829   16.194   62.879   13.095   91.225   13.100   93.051   10.385 -1.826187 16.71660 
1 1 1  -30   14   58 o   46.007   10.564   17.017   7.9426   9.3537   12.814   21.797   10.121   39.670   15.825   52.344   13.998 -12.67372 21.12727 
1 1 1  -30   14   59 o   49.798   10.587   20.551   8.2799   11.087   12.888   27.203   10.804   41.057   16.026   58.540   13.838 -17.48329 21.17346 
1 1 1  -30   14   60 o   79.037   14.466   49.638   14.923   49.638   14.923   0.0000   0.0000   79.037   14.466  ?   ?       ?      ? 
1 1 1  -30   14   61 o   38.472   11.016   8.3943   8.9091   8.6721   13.026   8.1502   12.212   38.971   15.811   37.974   15.343 0.9972878 22.03167 
1 1 1  -30   14   62 o   88.098   8.9132   58.401   10.567   64.303   16.143   53.976   13.978   91.648   12.998   84.547   12.200 7.100601 17.82649 
1 1 1  -30   14   63 o   37.498   10.126   7.1290   8.2708  -6.6987   12.817   16.995   10.827   29.160   13.535   45.837   15.066 -16.67728 20.25266 
1 1 1  -30   14   64 o   26.302   8.7172 -12.0356   7.8363   0.8153   12.220 -21.0102   10.212   32.463   14.297   20.140   9.9772 12.32290 17.43436 
1 1 1  -30   14   65 o   82.973   10.290   57.640   10.806   35.542   15.526   78.400   15.049   63.350   17.504  102.596   10.824 -39.24611 20.58038 
1 1 1  -30   14   66 o   67.549   10.936   38.506   9.7718   37.211   14.484   39.587   13.239   65.679   16.340   69.418   14.539 -3.739273 21.87179 
1 1 1  -30   14   67 o   45.824   16.120   17.659   12.418   0.0000   0.0000   17.659   12.418  ?   ?    45.824   16.120      ?      ? 
1 1 1  -30   14   68 o   39.760   15.208   11.838   11.436   0.0000   0.0000   11.838   11.436  ?   ?    39.760   15.208      ?      ? 
1 1 1  -30   14   69 o   45.868   16.169   18.243   12.501   0.0000   0.0000   18.243   12.501  ?   ?    45.868   16.169      ?      ? 
1 1 1  -30   14   70 o   36.727   15.349   7.8957   12.767   0.0000   0.0000   7.8957   12.767  ?   ?    36.727   15.349      ?      ? 
1 1 1  -30   15    1 o   98.182   8.2914   66.883   11.032   0.0000   0.0000   66.883   11.032  ?   ?    98.182   8.2914      ?      ? 
1 1 1  -30   15    2 o   65.040   5.9868   27.746   5.1246   22.494   6.3960   37.163   8.5644   56.951   8.2874   73.129   8.6421 -16.17813 11.97360 
1 1 1  -30   15    3 o   85.572   5.6273   52.219   6.1522   55.999   7.7048   45.571   10.219   90.309   6.2958   80.834   9.3291 9.475166 11.25468 
1 1 1  -30   15    4 o   78.729   6.9389   42.667   7.4030   42.667   7.4030   0.0000   0.0000   78.729   6.9389  ?   ?       ?      ? 
1 1 1  -30   15    5 o   22.295   6.9484  -2.6893   4.3654   1.6515   5.7693  -8.5032   6.6769   25.343   10.430   19.247   9.1839 6.096336 13.89685 
1 1 1  -30   15    6 o   63.906   7.5365   32.895   5.7776   44.263   7.5398   16.726   8.9922   80.206   6.9370   47.606   13.382 32.60013 15.07295 
1 1 1  -30   15    7 o   70.704   6.1568   34.357   5.8011   32.939   7.4848   36.491   9.1804   69.024   8.0020   72.385   9.3591 -3.360878 12.31354 
1 1 1  -30   15    8 o  195.699   5.0182  261.613   12.357  258.256   14.890  269.039   22.149  194.255   5.6565  197.144   8.2905 -2.888519 10.03636 
1 1 1  -30   15    9 o  126.866   5.0941  110.559   8.4002  109.899   10.481  111.743   14.045  126.622   6.1084  127.109   8.1540 -0.4873505 10.18824 
1 1 1  -30   15   10 f  185.636   4.9608  233.636   11.682  227.532   14.132  246.803   20.757  182.330   5.7197  188.942   8.1069 -6.611984 9.921523 
1 1 1  -30   15   11 o   93.825   6.3668   61.488   7.9971   50.414   11.243   72.831   11.378   85.023   9.7578  102.626   8.1812 -17.60332 12.73367 
1 1 1  -30   15   12 o  126.266   5.2599  111.071   8.6096  114.297   10.809  105.471   14.240  129.128   6.1770  123.403   8.5154 5.724823 10.51986 
1 1 1  -30   15   13 o  209.266   5.0733  295.109   13.355  284.965   16.008  318.329   24.220  204.039   5.7896  214.494   8.3326 -10.45541 10.14652 
1 1 1  -30   15   14 o  121.552   5.1701  101.196   8.2254   99.671   10.336  103.831   13.582  120.553   6.3272  122.550   8.1785 -1.996994 10.34024 
1 1 1  -30   15   15 o  122.411   5.1461  100.881   8.2647   94.569   10.322  112.159   13.797  117.392   6.4883  127.429   7.9895 -10.03761 10.29223 
1 1 1  -30   15   16 o  130.966   6.2744  117.608   11.136  117.608   11.136   0.0000   0.0000  130.966   6.2744  ?   ?       ?      ? 
1 1 1  -30   15   17 o  213.880   5.1902  307.793   13.850  296.952   16.490  333.758   25.520  208.266   5.8429  219.494   8.5798 -11.22729 10.38034 
1 1 1  -30   15   18 o  124.730   5.3312  107.299   8.6793  107.453   10.910  107.034   14.324  125.142   6.4335  124.318   8.5026 0.8234482 10.66230 
1 1 1  -30   15   19 o   97.784   5.8410   66.348   7.4991   66.996   9.5287   65.294   12.155   98.670   7.1263   96.898   9.2567 1.771599 11.68209 
1 1 1  -30   15   20 o  195.272   5.1675  259.356   12.742  253.723   15.369  271.741   22.789  192.479   5.8924  198.066   8.4906 -5.587555 10.33496 
1 1 1  -30   15   21 o  116.376   5.3899   89.753   8.2276   79.850   10.208  108.113   13.899  107.740   6.9918  125.011   8.2047 -17.27152 10.77970 
1 1 1  -30   15   22 o  193.715   5.1535  256.128   12.679  251.736   15.390  265.407   22.371  191.694   5.9245  195.735   8.4341 -4.040985 10.30699 
1 1 1  -30   15   23 o   73.105   7.3244   39.977   6.6315   47.813   8.6930   29.069   10.256   83.220   7.7083   62.991   12.457 20.22890 14.64873 
1 1 1  -30   15   24 o   72.076   6.7981   36.251   6.5159   36.275   8.4504   36.217   10.233   72.308   8.6240   71.843   10.511 0.4652939 13.59618 
1 1 1  -30   15   25 o   52.322   9.1851   20.610   6.6441   14.242   9.6514   26.348   9.1603   44.521   14.192   60.124   11.664 -15.60379 18.37019 
1 1 1  -30   15   26 o   93.536   5.9688   60.940   7.3304   61.784   9.3262   59.577   11.857   94.665   7.2700   92.407   9.4686 2.257957 11.93762 
1 1 1  -30   15   27 o   76.631   6.4636   39.423   6.5714   30.469   8.4834   52.856   10.391   66.067   9.4754   87.194   8.7938 -21.12671 12.92730 
1 1 1  -30   15   28 o   64.693   7.8703   31.938   6.3714   39.717   8.4181   21.505   9.7487   75.693   8.2068   53.692   13.432 22.00122 15.74068 
1 1 1  -30   15   29 o   87.329   6.3567   54.025   7.2766   57.212   9.3642   49.166   11.561   90.978   7.5954   83.679   10.195 7.299706 12.71341 
1 1 1  -30   15   30 o  133.224   6.4176  122.024   11.586  122.024   11.586   0.0000   0.0000  133.224   6.4176  ?   ?       ?      ? 
1 1 1  -30   15   31 o  141.825   6.2932  138.253   12.095  138.253   12.095   0.0000   0.0000  141.825   6.2932  ?   ?       ?      ? 
1 1 1  -30   15   32 o   65.663   7.7793   31.460   6.5701   33.623   8.5774   28.388   10.220   69.377   9.1233   61.948   12.603 7.429127 15.55865 
1 1 1  -30   15   33 o  139.371   5.2710  126.881   9.4538  112.159   11.430  158.760   16.820  127.601   6.6102  151.141   8.2121 -23.53997 10.54200 
1 1 1  -30   15   34 o  118.070   6.1686   98.644   9.6749  106.161   12.819   88.696   14.747  123.767   7.6431  112.372   9.6844 11.39481 12.33712 
1 1 1  -30   15   35 o   99.307   6.4615   67.642   8.6045   58.761   11.244   80.194   13.367   91.631   9.0552  106.983   9.2200 -15.35188 12.92299 
1 1 1  -30   15   36 o   86.047   6.9459   51.644   8.0580   46.763   10.767   57.859   12.149   81.495   9.7495   90.598   9.8958 -9.102448 13.89171 
1 1 1  -30   15   37 o  158.769   5.7509  174.397   12.186  168.922   15.812  182.406   19.125  156.056   7.4770  161.482   8.7398 -5.425842 11.50170 
1 1 1  -30   15   38 o  159.429   5.6862  173.527   12.070  159.234   15.445  195.943   19.342  151.439   7.5263  167.419   8.5256 -15.98047 11.37233 
1 1 1  -30   15   39 o   47.260   10.926   15.722   7.8319   21.039   13.061   12.736   9.7866   52.269   16.494   42.250   14.333 10.01948 21.85122 
1 1 1  -30   15   40 o  147.130   5.9258  151.699   11.641  152.975   15.267  149.926   17.994  148.284   7.5974  145.975   9.0963 2.308472 11.85170 
1 1 1  -30   15   41 o   60.279   8.9093   26.766   7.2742   15.514   9.8513   40.256   10.787   45.474   14.322   75.084   10.601 -29.60963 17.81852 
1 1 1  -30   15   42 o   89.625   6.8998   56.452   8.3387   50.058   11.211   64.371   12.476   83.958   9.8534   95.293   9.6611 -11.33421 13.79951 
1 1 1  -30   15   43 o   65.059   8.3797   31.010   7.2063   26.843   9.8664   35.776   10.551   59.621   12.606   70.496   11.044 -10.87489 16.75931 
1 1 1  -30   15   44 o   56.569   9.5670   25.001   7.2570   28.222   9.7171   20.939   10.912   61.322   12.123   51.816   14.803 9.506302 19.13392 
1 1 1  -30   15   45 o   82.416   9.7352   48.408   10.873   48.408   10.873   0.0000   0.0000   82.416   9.7352  ?   ?       ?      ? 
1 1 1  -30   15   46 o   38.728   9.7761   10.350   6.4951   11.277   9.0457   9.3628   9.3319   39.739   13.770   37.716   13.881 2.022713 19.55223 
1 1 1  -30   15   47 o   44.619   9.8037   15.172   6.7546   19.389   9.3297   10.527   9.7921   50.013   13.466   39.225   14.252 10.78836 19.60743 
1 1 1  -30   15   48 o   42.536   9.2664   12.134   7.5832  -7.1018   12.093   24.600   9.7350   28.572   13.221   56.499   12.987 -27.92694 18.53276 
1 1 1  -30   15   49 f   33.484   9.9826   3.2511   7.4940   4.6169   12.397   2.4645   9.4075   35.966   15.085   31.003   13.079 4.962795 19.96514 
1 1 1  -30   15   50 o   65.440   10.005   35.203   8.7294   23.594   13.537   43.468   11.422   53.657   16.770   77.223   10.914 -23.56641 20.00905 
1 1 1  -30   15   51 o   44.954   9.4223   14.982   7.6595  -2.3611   11.976   26.989   9.9641   30.802   13.821   59.105   12.810 -28.30329 18.84470 
1 1 1  -30   15   52 o   52.159   10.789   22.260   8.1061   19.582   12.914   24.002   10.413   49.290   16.466   55.029   13.946 -5.739529 21.57796 
1 1 1  -30   15   53 o   94.970   10.240   65.529   13.178   0.0000   0.0000   65.529   13.178  ?   ?    94.970   10.240      ?      ? 
1 1 1  -30   15   54 o   47.695   10.241   18.796   8.4021   2.6615   13.986   27.908   10.510   35.795   15.538   59.596   13.346 -23.80068 20.48252 
1 1 1  -30   15   55 o   66.070   10.299   35.498   9.0872   29.478   13.897   39.995   12.011   59.117   16.642   73.023   12.137 -13.90622 20.59806 
1 1 1  -30   15   56 o   68.892   10.147   40.896   9.4596   20.709   14.280   56.682   12.628   49.926   17.301   87.859   10.606 -37.93269 20.29325 
1 1 1  -30   15   57 o   57.482   11.167   26.941   8.9053   32.862   13.835   22.753   11.636   62.515   16.199   52.449   15.376 10.06543 22.33468 
1 1 1  -30   15   58 o   25.713   12.244 -11.4390   11.741 -11.4390   11.741   0.0000   0.0000   25.713   12.244  ?   ?       ?      ? 
1 1 1  -30   15   59 o   97.206   12.519   72.100   16.491   72.100   16.491   0.0000   0.0000   97.206   12.519  ?   ?       ?      ? 
1 1 1  -30   15   60 o   54.055   11.271   25.088   9.3512   15.581   13.644   33.511   12.842   44.572   16.710   63.539   15.131 -18.96651 22.54286 
1 1 1  -30   15   61 o   35.810   10.432   4.3842   8.4904   13.715   12.832  -2.8818   11.323   42.506   16.145   29.113   13.216 13.39339 20.86402 
1 1 1  -30   15   62 o   56.899   11.378   28.216   9.2723   23.942   13.458   32.079   12.793   52.241   16.770   61.557   15.380 -9.316490 22.75504 
1 1 1  -30   15   63 o   61.919   11.166   33.242   9.8415   21.461   13.738   45.662   14.105   49.407   16.978   74.431   14.506 -25.02398 22.33105 
1 1 1  -30   15   64 o   42.303   11.173   13.979   8.9191   8.0937   13.006   19.203   12.255   37.470   15.562   47.136   16.038 -9.666740 22.34692 
1 1 1  -30   15   65 o   37.610   10.833   8.7969   8.8651   4.3115   12.979   12.719   12.137   34.649   15.004   40.570   15.630 -5.921436 21.66621 
1 1 1  -30   15   66 o   84.206   13.088   56.839   14.935   0.0000   0.0000   56.839   14.935  ?   ?    84.206   13.088      ?      ? 
1 1 1  -30   15   67 o   28.505   13.312  -5.8359   12.704   0.0000   0.0000  -5.8359   12.704  ?   ?    28.505   13.312      ?      ? 
1 1 1  -30   15   68 o  116.430   12.026  107.622   18.974   0.0000   0.0000  107.622   18.974  ?   ?   116.430   12.026      ?      ? 
1 1 1  -30   15   69 o   53.956   17.010   28.362   13.894   0.0000   0.0000   28.362   13.894  ?   ?    53.956   17.010      ?      ? 
1 1 1  -30   15   70 o   46.958   17.166   21.898   14.238   0.0000   0.0000   21.898   14.238  ?   ?    46.958   17.166      ?      ? 
1 1 1  -30   16    1 o   72.942   14.038   40.377   13.372   40.377   13.372   0.0000   0.0000   72.942   14.038  ?   ?       ?      ? 
1 1 1  -30   16    2 o   42.374   8.6018   12.641   5.2622   8.7628   6.8648   18.167   8.1944   35.582   12.004   49.165   12.323 -13.58247 17.20367 
1 1 1  -30   16    3 o   67.971   8.3829   32.304   7.7215   32.304   7.7215   0.0000   0.0000   67.971   8.3829  ?   ?       ?      ? 
1 1 1  -30   16    4 o   52.032   8.1392   19.500   5.5855   14.740   7.3330   26.078   8.6204   44.460   11.925   59.603   11.081 -15.14310 16.27830 
1 1 1  -30   16    5 o   51.275   8.1281   19.852   5.6702   25.016   7.6738   13.643   8.4150   59.584   9.5039   42.967   13.189 16.61679 16.25626 
1 1 1  -30   16    6 o   70.979   6.7136   34.701   6.3776   28.472   8.3869   43.241   9.8202   63.520   9.7433   78.437   9.2388 -14.91654 13.42711 
1 1 1  -30   16    7 o   69.512   6.6936   33.866   6.2660   32.791   8.3543   35.248   9.4738   68.376   9.0162   70.647   9.8957 -2.271217 13.38717 
1 1 1  -30   16    8 o   50.628   8.5614   19.228   5.8044   20.982   7.9904   17.269   8.4458   53.278   11.411   47.978   12.766 5.299862 17.12287 
1 1 1  -30   16    9 o   45.296   9.3377   16.387   6.6907   4.0995   11.883   22.090   8.0959   35.840   14.879   54.751   11.287 -18.91062 18.67550 
1 1 1  -30   16   10 o   37.451   9.3605   9.2198   6.4308  -1.8367   11.847   13.839   7.6572   31.688   14.010   43.214   12.417 -11.52548 18.72094 
1 1 1  -30   16   11 o   61.471   7.7160   27.227   6.2922   25.699   8.7882   28.835   9.0132   59.143   11.378   63.800   10.425 -4.657215 15.43192 
1 1 1  -30   16   12 o   45.269   8.9162   15.271   5.6735   14.999   8.0445   15.540   8.0028   44.886   12.671   45.652   12.548 -0.7654190 17.83245 
1 1 1  -30   16   13 o   55.123   8.6820   22.625   6.3181   22.373   8.8415   22.888   9.0319   54.824   12.213   55.421   12.343 -0.5970078 17.36399 
1 1 1  -30   16   14 o   43.335   9.1000   13.687   5.9882   18.804   8.3971   8.3928   8.5421   50.159   12.419   36.510   13.304 13.64933 18.19991 
1 1 1  -30   16   15 o  123.342   7.3771  105.404   12.330  105.404   12.330   0.0000   0.0000  123.342   7.3771  ?   ?       ?      ? 
1 1 1  -30   16   16 o   54.103   8.6314   21.790   6.1776   22.335   8.7889   21.258   8.6848   54.800   12.154   53.406   12.259 1.393398 17.26273 
1 1 1  -30   16   17 o   70.924   7.0363   35.445   6.7567   34.587   9.3230   36.395   9.8062   70.057   9.8202   71.790   10.080 -1.733154 14.07265 
1 1 1  -30   16   18 o   52.538   8.5276   20.882   6.4592   31.551   8.9557   9.3147   9.3249   66.892   9.8796   38.184   13.902 28.70796 17.05526 
1 1 1  -30   16   19 o   46.707   9.2757   16.409   6.2795   20.669   8.6634   11.694   9.1149   52.605   12.362   40.809   13.832 11.79555 18.55130 
1 1 1  -30   16   20 o   55.158   8.5019   21.878   6.3547   15.221   8.5377   30.148   9.5154   45.187   13.149   65.129   10.781 -19.94201 17.00380 
1 1 1  -30   16   21 o   32.233   8.3062   2.1591   5.6264  -7.3211   7.6277   13.474   8.3330   21.682   10.186   42.784   13.123 -21.10155 16.61238 
1 1 1  -30   16   22 o   41.336   9.2093   11.712   5.9488   7.0486   7.9816   17.539   8.9225   34.396   12.803   48.276   13.241 -13.87942 18.41858 
1 1 1  -30   16   23 o   73.363   9.4649   40.851   8.7531   36.173   14.359   43.617   11.042   68.302   15.824   78.425   10.390 -10.12291 18.92990 
1 1 1  -30   16   24 o   78.852   7.3228   43.700   7.3960   30.881   9.8190   60.510   11.244   64.808   11.607   92.896   8.9320 -28.08810 14.64560 
1 1 1  -30   16   25 o   63.838   8.1675   29.548   6.8448   23.229   9.3543   36.829   10.042   55.617   12.692   72.060   10.284 -16.44329 16.33498 
1 1 1  -30   16   26 o   59.074   8.6358   25.811   6.6812   21.816   9.0954   30.493   9.8466   53.855   12.674   64.294   11.734 -10.43869 17.27159 
1 1 1  -30   16   27 o   71.608   7.7245   36.264   7.1077   25.872   9.4001   50.137   10.861   58.910   12.177   84.305   9.5069 -25.39491 15.44895 
1 1 1  -30   16   28 o   58.880   12.054   25.829   9.2941   25.829   9.2941   0.0000   0.0000   58.880   12.054  ?   ?       ?      ? 
1 1 1  -30   16   29 o   70.735   10.166   35.549   9.7447   35.549   9.7447   0.0000   0.0000   70.735   10.166  ?   ?       ?      ? 
1 1 1  -30   16   30 o   61.553   8.4364   28.183   6.8427   31.575   9.3700   24.308   10.016   66.568   10.387   56.538   13.297 10.02973 16.87277 
1 1 1  -30   16   31 o   45.588   9.1515   15.356   6.1156   10.157   8.4333   21.123   8.8817   38.311   13.295   52.865   12.580 -14.55472 18.30296 
1 1 1  -30   16   32 o   66.719   8.3012   33.807   7.0992   42.441   9.7405   24.023   10.368   77.502   9.2744   55.937   13.771 21.56506 16.60247 
1 1 1  -30   16   33 o   36.931   9.4144   8.9785   6.0642   10.486   8.4035   7.3412   8.7596   38.632   13.279   35.230   13.349 3.402519 18.82887 
1 1 1  -30   16   34 o   83.734   6.9414   49.345   7.8335   44.138   10.462   55.989   11.818   78.767   9.8016   88.701   9.8318 -9.933746 13.88289 
1 1 1  -30   16   35 o   52.745   9.2158   21.031   6.8079   12.919   9.3501   30.184   9.9319   41.963   14.011   63.527   11.976 -21.56411 18.43168 
1 1 1  -30   16   36 o   41.928   9.7155   12.803   6.3937   10.470   8.6920   15.553   9.4382   38.657   13.492   45.199   13.983 -6.542362 19.43108 
1 1 1  -30   16   37 o   49.168   11.209   18.964   8.3787   16.653   14.231   20.190   10.366   47.458   17.190   50.877   14.391 -3.419033 22.41875 
1 1 1  -30   16   38 o   55.950   11.012   25.283   8.5402   22.675   14.266   26.739   10.662   53.126   17.286   58.773   13.648 -5.647011 22.02445 
1 1 1  -30   16   39 o   63.545   9.2217   28.304   8.2763   55.829   13.128   10.148   10.662   87.707   11.045   39.383   14.770 48.32450 18.44348 
1 1 1  -30   16   40 o   57.437   9.7320   26.841   8.1344   13.226   12.334   37.323   10.822   43.264   15.953   71.610   11.152 -28.34568 19.46391 
1 1 1  -30   16   41 o   62.791   10.166   31.156   8.4206   29.728   12.749   32.260   11.215   60.858   15.436   64.724   13.233 -3.865494 20.33152 
1 1 1  -30   16   42 o   36.544   10.067   7.6517   7.3277   3.2835   11.425   10.704   9.5508   33.969   14.376   39.119   14.096 -5.149948 20.13388 
1 1 1  -30   16   43 o   53.891   15.811   23.552   12.299   23.552   12.299   0.0000   0.0000   53.891   15.811  ?   ?       ?      ? 
1 1 1  -30   16   44 o   78.433   9.3535   48.562   9.2948   32.942   13.460   62.802   12.851   63.688   15.696   93.177   10.178 -29.48850 18.70696 
1 1 1  -30   16   45 o   42.766   10.636   13.724   7.6618   12.120   11.610   14.961   10.197   41.497   15.443   44.036   14.629 -2.538868 21.27142 
1 1 1  -30   16   46 o   37.464   10.222   8.5791   7.5662   3.2764   11.888   12.190   9.8096   34.243   14.585   40.685   14.325 -6.441883 20.44348 
1 1 1  -30   16   47 o   38.374   10.562   9.0570   7.7214   10.517   12.505   8.1572   9.8162   40.392   15.780   36.356   14.042 4.036713 21.12343 
1 1 1  -30   16   48 o   32.364   9.7275   2.7052   7.2448   4.5247   11.807   1.6065   9.1751   34.958   14.695   29.771   12.750 5.186657 19.45506 
1 1 1  -30   16   49 o   80.516   9.8142   52.684   9.9245   40.331   15.425   61.409   12.964   69.394   16.622   91.638   10.440 -22.24433 19.62841 
1 1 1  -30   16   50 o  142.080   7.3664  149.684   13.921  133.797   20.976  162.191   18.611  134.040   11.548  150.120   9.1486 -16.07999 14.73272 
1 1 1  -30   16   51 o   62.591   14.676   31.811   12.232   0.0000   0.0000   31.811   12.232  ?   ?    62.591   14.676      ?      ? 
1 1 1  -30   16   52 o   61.142   14.360   30.271   11.695   0.0000   0.0000   30.271   11.695  ?   ?    61.142   14.360      ?      ? 
1 1 1  -30   16   53 o   40.162   10.265   10.993   7.9506   0.8298   12.079   18.761   10.561   32.404   14.244   47.921   14.786 -15.51788 20.53081 
1 1 1  -30   16   54 o   41.190   10.698   12.672   8.0789   7.3763   12.572   16.396   10.544   37.335   15.384   45.046   14.871 -7.710876 21.39674 
1 1 1  -30   16   55 o   56.588   10.040   26.663   9.0091   9.2153   13.189   41.923   12.335   39.059   15.886   74.116   12.281 -35.05689 20.08010 
1 1 1  -30   16   56 o  103.099   9.1777   83.676   11.757   54.702   16.317  114.955   16.954   81.245   15.384  124.952   10.013 -43.70770 18.35538 
1 1 1  -30   16   57 o   40.283   15.562   11.766   12.058   11.766   12.058   0.0000   0.0000   40.283   15.562  ?   ?       ?      ? 
1 1 1  -30   16   58 o   51.388   9.6920   18.715   9.2757  -5.8880   13.091   43.522   13.145   29.464   13.677   73.312   13.736 -43.84801 19.38395 
1 1 1  -30   16   59 o   31.030   9.8262  -0.4933   8.5125   0.5661   12.245  -1.4843   11.843   31.841   14.152   30.219   13.635 1.621973 19.65233 
1 1 1  -30   16   60 o   36.321   10.682   7.2769   8.7189   5.1491   12.334   9.4023   12.327   34.738   14.828   37.903   15.380 -3.164780 21.36334 
1 1 1  -30   16   61 o   71.378   10.958   44.279   10.322   38.008   14.619   50.515   14.577   64.995   16.553   77.760   14.362 -12.76515 21.91515 
1 1 1  -30   16   62 o   32.730   10.158   2.6092   8.6586   4.7170   12.581   0.7125   11.935   34.275   14.807   31.185   13.909 3.090321 20.31540 
1 1 1  -30   16   63 o   33.375   10.372   3.2967   9.0656   1.9297   12.815   4.6661   12.827   32.532   14.468   34.218   14.867 -1.686092 20.74455 
1 1 1  -30   16   64 o   39.748   15.851   12.633   12.852   0.0000   0.0000   12.633   12.852  ?   ?    39.748   15.851      ?      ? 
1 1 1  -30   16   65 o   45.138   16.510   19.197   13.174   0.0000   0.0000   19.197   13.174  ?   ?    45.138   16.510      ?      ? 
1 1 1  -30   16   66 o   50.432   16.874   25.315   13.562   0.0000   0.0000   25.315   13.562  ?   ?    50.432   16.874      ?      ? 
1 1 1  -30   16   67 o   61.189   16.600   36.711   14.114   0.0000   0.0000   36.711   14.114  ?   ?    61.189   16.600      ?      ? 
1 1 1  -30   16   68 o   46.641   16.834   22.577   13.629   0.0000   0.0000   22.577   13.629  ?   ?    46.641   16.834      ?      ? 
1 1 1  -30   17    1 o   48.151   16.212   18.137   12.520   18.137   12.520   0.0000   0.0000   48.151   16.212  ?   ?       ?      ? 
1 1 1  -30   17    2 o   31.577   13.757   0.4436   11.046   0.4436   11.046   0.0000   0.0000   31.577   13.757  ?   ?       ?      ? 
1 1 1  -30   17    3 f   62.759   15.579   31.568   13.188   31.568   13.188   0.0000   0.0000   62.759   15.579  ?   ?       ?      ? 
1 1 1  -30   17    4 o   25.643   12.020  -8.5770   10.520  -8.5770   10.520   0.0000   0.0000   25.643   12.020  ?   ?       ?      ? 
1 1 1  -30   17    5 f   32.215   13.968   0.8700   11.277   0.8700   11.277   0.0000   0.0000   32.215   13.968  ?   ?       ?      ? 
1 1 1  -30   17    6 o   43.286   15.882   13.209   12.203   13.209   12.203   0.0000   0.0000   43.286   15.882  ?   ?       ?      ? 
1 1 1  -30   17    7 o   59.422   16.026   28.411   13.201   28.411   13.201   0.0000   0.0000   59.422   16.026  ?   ?       ?      ? 
1 1 1  -30   17    8 o   45.432   15.787   15.426   11.894   15.426   11.894   0.0000   0.0000   45.432   15.787  ?   ?       ?      ? 
1 1 1  -30   17    9 o   54.434   8.6276   22.398   6.1557   21.904   8.1239   23.065   9.4328   54.019   11.453   54.849   12.906 -0.8302689 17.25525 
1 1 1  -30   17   10 f   46.350   8.9450   15.886   5.8804   11.248   7.8524   21.807   8.8730   39.203   12.828   53.496   12.470 -14.29266 17.89009 
1 1 1  -30   17   11 o   93.744   6.1774   61.128   7.7353   56.729   9.9915   67.710   12.221   89.824   8.2084   97.664   9.2338 -7.840187 12.35479 
1 1 1  -30   17   12 o   59.020   8.2986   24.752   6.4938   14.756   8.4463   39.203   10.155   44.063   13.147   73.978   10.130 -29.91506 16.59721 
1 1 1  -30   17   13 o   71.176   9.2092   35.944   8.8826   35.944   8.8826   0.0000   0.0000   71.176   9.2092  ?   ?       ?      ? 
1 1 1  -30   17   14 o   60.198   8.4886   27.174   6.6665   26.057   9.0646   28.489   9.8385   58.934   11.762   61.461   12.243 -2.527046 16.97728 
1 1 1  -30   17   15 o   89.187   6.5091   55.768   7.8131   50.890   10.337   62.269   11.933   84.781   8.9971   93.593   9.4088 -8.812065 13.01815 
1 1 1  -30   17   16 o   65.479   7.8510   31.326   6.7955   30.548   9.1846   32.267   10.101   65.218   10.392   65.741   11.771 -0.5227890 15.70201 
1 1 1  -30   17   17 o   71.435   7.6674   36.420   6.9296   23.622   9.1396   53.725   10.628   55.767   12.413   87.104   9.0036 -31.33725 15.33481 
1 1 1  -30   17   18 o   55.061   8.9983   23.571   6.6052   27.188   8.9091   19.155   9.8427   60.436   11.293   49.687   14.012 10.74928 17.99668 
1 1 1  -30   17   19 o   96.423   6.4546   65.696   8.2988   64.607   10.785   67.277   12.994   95.816   8.3059   97.030   9.8823 -1.213707 12.90924 
1 1 1  -30   17   20 o   49.990   9.3682   18.373   6.5594   12.544   8.5892   26.529   10.160   41.141   13.414   58.840   13.081 -17.69914 18.73647 
1 1 1  -30   17   21 o   69.656   9.8562   37.150   8.9000   36.350   14.263   37.660   11.389   67.486   15.864   71.825   11.701 -4.339661 19.71245 
1 1 1  -30   17   22 o   36.544   9.2903   7.6134   6.1538   2.2764   8.2083   14.463   9.2989   29.379   12.295   43.709   13.930 -14.32950 18.58050 
1 1 1  -30   17   23 o   63.848   8.4038   29.729   7.0732   24.566   9.3809   36.532   10.768   56.776   12.528   70.920   11.204 -14.14361 16.80766 
1 1 1  -30   17   24 o   61.459   8.6465   28.133   6.9022   24.896   9.1146   32.485   10.568   57.337   12.110   65.581   12.345 -8.243481 17.29296 
1 1 1  -30   17   25 o   55.216   9.5752   24.756   7.9428   10.222   12.176   35.524   10.480   40.475   15.638   69.957   11.055 -29.48191 19.15041 
1 1 1  -30   17   26 o   50.868   10.478   20.374   7.6127   20.351   11.692   20.390   10.030   50.678   15.545   51.058   14.053 -0.3800774 20.95516 
1 1 1  -30   17   27 o   50.650   15.646   20.370   11.821   20.370   11.821   0.0000   0.0000   50.650   15.646  ?   ?       ?      ? 
1 1 1  -30   17   28 o   33.139   9.6122   3.6033   6.8471   8.1852   10.830   0.5523   8.8374   37.542   14.680   28.737   12.412 8.805538 19.22431 
1 1 1  -30   17   29 o   63.216   9.6218   31.701   8.1512   22.690   12.128   39.125   11.009   53.138   15.731   73.293   11.084 -20.15503 19.24365 
1 1 1  -30   17   30 o   61.977   9.6494   30.715   8.0916   20.981   12.101   38.588   10.882   51.175   15.833   72.779   11.034 -21.60440 19.29874 
1 1 1  -30   17   31 o   33.427   9.1588   3.5186   6.9931 -10.3158   11.051   12.758   9.0313   25.546   12.081   41.307   13.769 -15.76088 18.31761 
1 1 1  -30   17   32 o   28.687   9.0067  -2.2254   6.8790   2.1692   10.931  -5.1072   8.8517   32.563   13.930   24.811   11.420 7.752180 18.01348 
1 1 1  -30   17   33 o   56.551   10.345   26.258   8.1381   19.633   12.521   31.104   10.708   49.524   16.198   63.578   12.870 -14.05412 20.68901 
1 1 1  -30   17   34 o   91.963   9.1146   67.660   10.145   41.675   14.958   89.795   13.805   71.784   15.804  112.142   9.0844 -40.35757 18.22910 
1 1 1  -30   17   35 o   71.712   11.853   38.085   11.519   0.0000   0.0000   38.085   11.519  ?   ?    71.712   11.853      ?      ? 
1 1 1  -30   17   36 o   77.244   11.404   43.960   11.938   0.0000   0.0000   43.960   11.938  ?   ?    77.244   11.404      ?      ? 
1 1 1  -30   17   37 o  101.466   8.0398   78.299   10.540   55.274   15.324   98.971   14.520   85.356   13.248  117.575   9.1128 -32.21876 16.07958 
1 1 1  -30   17   38 o   65.730   9.8413   34.271   8.5595   29.926   13.047   37.555   11.342   60.343   15.777   71.117   11.768 -10.77410 19.68264 
1 1 1  -30   17   39 o   37.794   10.037   6.7313   7.2962   17.588   11.682  -0.2126   9.3426   46.955   15.660   28.632   12.558 18.32280 20.07345 
1 1 1  -30   17   40 o   56.489   10.569   26.274   8.2506   22.923   12.538   28.833   10.957   52.632   16.089   60.346   13.710 -7.714767 21.13874 
1 1 1  -30   17   41 o   57.187   16.135   27.300   13.048   27.300   13.048   0.0000   0.0000   57.187   16.135  ?   ?       ?      ? 
1 1 1  -30   17   42 o   42.849   10.466   13.705   7.9694   5.2719   11.990   20.380   10.667   35.580   14.873   50.117   14.730 -14.53747 20.93246 
1 1 1  -30   17   43 o   58.793   10.580   28.697   8.4937   24.629   12.848   31.855   11.320   54.167   16.227   63.418   13.582 -9.251034 21.16096 
1 1 1  -30   17   44 o   73.069   10.110   44.810   9.6247   27.206   14.259   59.543   13.045   56.251   17.150   89.886   10.709 -33.63475 20.21921 
1 1 1  -30   17   45 o   42.597   10.850   12.897   7.9673   19.184   12.645   8.7580   10.260   48.221   16.292   36.973   14.335 11.24773 21.70094 
1 1 1  -30   17   46 o   73.146   9.7727   43.242   9.2122   36.593   14.261   48.003   12.068   65.942   16.099   80.349   11.084 -14.40732 19.54535 
1 1 1  -30   17   47 o   31.092   9.5315   0.2019   7.3807   6.5450   11.689  -4.0033   9.5178   36.018   14.837   26.165   11.969 9.852781 19.06304 
1 1 1  -30   17   48 o   75.980   10.111   49.560   9.8172   28.845   14.729   66.120   13.169   57.213   17.427   94.747   10.257 -37.53397 20.22156 
1 1 1  -30   17   49 o   58.170   15.015   28.239   11.917   0.0000   0.0000   28.239   11.917  ?   ?    58.170   15.015      ?      ? 
1 1 1  -30   17   50 o   83.869   12.298   53.946   13.977   0.0000   0.0000   53.946   13.977  ?   ?    83.869   12.298      ?      ? 
1 1 1  -30   17   51 o   65.883   10.849   37.303   9.6381   28.603   14.022   45.095   13.270   56.801   16.938   74.965   13.561 -18.16448 21.69818 
1 1 1  -30   17   52 o   43.612   10.558   14.203   8.6025   1.6215   12.593   25.211   11.779   32.954   14.513   54.270   15.337 -21.31652 21.11555 
1 1 1  -30   17   53 o   53.834   11.486   25.632   9.0867   24.524   13.384   26.580   12.376   52.424   16.713   55.243   15.759 -2.818985 22.97108 
1 1 1  -30   17   54 o  101.348   8.5085   79.458   11.674   83.018   16.976   76.265   16.080  103.411   12.114   99.284   11.952 4.127510 17.01707 
1 1 1  -30   17   55 o   35.763   15.106   6.4974   12.576   6.4974   12.576   0.0000   0.0000   35.763   15.106  ?   ?       ?      ? 
1 1 1  -30   17   56 o   50.286   11.613   23.200   9.3061   18.478   13.895   27.042   12.532   45.662   16.914   54.910   15.917 -9.248531 23.22514 
1 1 1  -30   17   57 o   56.121   11.408   27.143   9.8150   44.326   15.072   14.492   12.933   70.421   16.139   41.821   16.128 28.60015 22.81662 
1 1 1  -30   17   58 o   30.755   9.6800  -1.3966   8.6363 -11.4046   12.543   7.6250   11.909   25.921   12.427   35.590   14.845 -9.668583 19.35994 
1 1 1  -30   17   59 o   64.635   10.387   38.614   10.334   14.444   14.820   61.486   14.416   41.568   16.865   87.701   12.130 -46.13295 20.77392 
1 1 1  -30   17   60 o   28.337   9.2258  -5.5546   8.3893   4.5077   12.405 -14.0355   11.389   33.323   14.547   23.351   11.351 9.971975 18.45162 
1 1 1  -30   17   61 o   63.388   11.958   38.927   10.456   41.909   15.260   36.287   14.356   65.696   17.008   61.079   16.813 4.617542 23.91525 
1 1 1  -30   17   62 o   54.771   16.901   30.196   13.799   0.0000   0.0000   30.196   13.799  ?   ?    54.771   16.901      ?      ? 
1 1 1  -30   17   63 o   74.123   15.789   51.690   15.374   0.0000   0.0000   51.690   15.374  ?   ?    74.123   15.789      ?      ? 
1 1 1  -30   17   64 o   25.660   12.246  -7.9010   11.882   0.0000   0.0000  -7.9010   11.882  ?   ?    25.660   12.246      ?      ? 
1 1 1  -30   17   65 o   27.109   12.772  -4.5721   12.140   0.0000   0.0000  -4.5721   12.140  ?   ?    27.109   12.772      ?      ? 
1 1 1  -30   18   16 o   38.629   8.8799   8.3664   6.8222  -7.0848   10.214   20.812   9.1670   25.736   11.991   51.521   13.100 -25.78492 17.75984 
1 1 1  -30   18   17 o   60.463   9.5797   28.694   7.6285   29.150   11.343   28.318   10.308   60.593   14.082   60.334   12.991 0.2596283 19.15943 
1 1 1  -30   18   18 o   72.797   9.2478   42.894   8.5638   22.870   12.261   61.967   11.966   52.815   15.859   92.779   9.5177 -39.96401 18.49567 
1 1 1  -30   18   19 o   62.427   13.203   30.398   10.821   0.0000   0.0000   30.398   10.821  ?   ?    62.427   13.203      ?      ? 
1 1 1  -30   18   20 o   36.488   9.9229   8.2897   6.9559   5.9752   10.574   10.055   9.2355   35.005   14.229   37.971   13.834 -2.965126 19.84574 
1 1 1  -30   18   21 o   29.831   8.9956   1.3322   6.5817  -3.5074   10.068   4.9438   8.6975   27.492   12.473   32.171   12.966 -4.679157 17.99122 
1 1 1  -30   18   22 o   54.429   10.273   23.961   7.7077   22.503   11.674   25.088   10.263   52.521   15.402   56.336   13.598 -3.815468 20.54559 
1 1 1  -30   18   23 o   50.593   10.378   20.882   7.8129   14.440   11.579   26.266   10.586   43.621   15.541   57.566   13.757 -13.94546 20.75577 
1 1 1  -30   18   24 f   32.577   9.4814   3.2390   7.0892  -3.0070   10.254   8.9589   9.8123   28.032   12.665   37.123   14.114 -9.091410 18.96276 
1 1 1  -30   18   25 o   59.871   15.156   29.205   12.308   29.205   12.308   0.0000   0.0000   59.871   15.156  ?   ?       ?      ? 
1 1 1  -30   18   26 o   46.604   10.258   15.547   7.7776   27.495   11.770   6.2860   10.362   58.206   14.869   35.003   14.137 23.20280 20.51623 
1 1 1  -30   18   27 o   44.319   10.375   15.401   7.5721   9.4811   11.426   20.036   10.111   38.674   15.091   49.965   14.241 -11.29191 20.74946 
1 1 1  -30   18   28 o   32.212   9.5640   2.5794   7.0820   7.4502   10.869  -1.0137   9.3356   36.423   14.560   28.001   12.406 8.422079 19.12796 
1 1 1  -30   18   29 o   68.274   9.8967   37.137   8.8113   35.318   13.086   38.646   11.918   65.986   14.978   70.561   12.940 -4.575645 19.79340 
1 1 1  -30   18   30 o   33.812   9.7489   3.8205   7.1716   10.875   11.136  -1.1791   9.3745   39.712   15.050   27.911   12.395 11.80091 19.49779 
1 1 1  -30   18   31 o   40.634   10.583   11.865   7.5878   12.940   11.809   11.110   9.9024   41.988   15.584   39.280   14.323 2.708164 21.16623 
1 1 1  -30   18   32 o   39.517   10.563   10.821   7.6803   10.852   11.878   10.799   10.068   40.035   15.451   38.999   14.407 1.036545 21.12589 
1 1 1  -30   18   33 o   41.096   14.463   12.789   9.9976   0.0000   0.0000   12.789   9.9976  ?   ?    41.096   14.463      ?      ? 
1 1 1  -30   18   34 o   33.892   13.695   5.9039   9.7294   0.0000   0.0000   5.9039   9.7294  ?   ?    33.892   13.695      ?      ? 
1 1 1  -30   18   35 o   46.234   10.256   17.135   7.8302   7.5426   11.712   24.886   10.529   36.958   14.993   55.511   13.999 -18.55300 20.51274 
1 1 1  -30   18   36 o   41.070   10.624   12.595   7.7907   9.6763   11.976   14.737   10.258   38.898   15.367   43.241   14.674 -4.342560 21.24803 
1 1 1  -30   18   37 o   71.683   9.8579   41.233   9.1965   37.570   14.223   43.865   12.056   66.944   15.912   76.422   11.641 -9.477448 19.71585 
1 1 1  -30   18   38 o   40.439   9.4325   3.3818   7.6860   28.529   12.404 -12.2902   9.7924   58.379   15.442   22.500   10.837 35.87840 18.86502 
1 1 1  -30   18   39 o   33.091   14.106   3.4503   11.135   3.4503   11.135   0.0000   0.0000   33.091   14.106  ?   ?       ?      ? 
1 1 1  -30   18   40 o   38.212   10.304   9.4780   7.8594   2.2069   11.866   15.161   10.490   32.912   14.299   43.513   14.839 -10.60172 20.60703 
1 1 1  -30   18   41 o   50.676   10.458   21.450   8.3032   11.005   12.059   30.866   11.449   39.784   15.509   61.568   14.035 -21.78329 20.91685 
1 1 1  -30   18   42 o   29.997   9.4102  -0.4910   7.5197   2.1137   11.644  -2.3548   9.8492   32.502   14.143   27.493   12.417 5.009216 18.82038 
1 1 1  -30   18   43 o   40.869   10.689   12.468   8.2219   5.9581   12.427   17.536   10.965   35.821   15.068   45.917   15.165 -10.09635 21.37775 
1 1 1  -30   18   44 o   39.741   10.750   11.608   8.0645   10.596   12.310   12.369   10.674   39.276   15.560   40.206   14.838 -0.9303703 21.50037 
1 1 1  -30   18   45 o   35.914   9.8367   6.3895   7.8945  -7.0204   12.250   15.915   10.324   27.919   13.050   43.908   14.722 -15.98909 19.67333 
1 1 1  -30   18   46 o   81.231   10.083   56.274   10.331   37.653   15.299   71.883   14.007   64.617   17.177   97.845   10.564 -33.22884 20.16502 
1 1 1  -30   18   47 o   86.822   11.854   58.238   13.946   0.0000   0.0000   58.238   13.946  ?   ?    86.822   11.854      ?      ? 
1 1 1  -30   18   48 o   84.095   12.244   55.313   13.953   0.0000   0.0000   55.313   13.953  ?   ?    84.095   12.244      ?      ? 
1 1 1  -30   18   49 o   28.504   9.2365  -3.1577   7.8607  -1.2420   12.529  -4.4012   10.095   30.777   13.944   26.230   12.117 4.546982 18.47293 
1 1 1  -30   18   50 o   32.587   9.9977   3.3982   8.0007   4.8560   12.817   2.4676   10.241   34.544   14.935   30.630   13.296 3.914522 19.99535 
1 1 1  -30   18   51 o   59.618   11.469   32.908   9.5624   29.500   14.660   35.432   12.616   55.394   17.474   63.842   14.860 -8.448132 22.93832 
1 1 1  -30   18   52 o   59.348   12.020   33.375   10.120   33.963   15.334   32.921   13.470   58.931   17.745   59.765   16.218 -0.8344231 24.03940 
1 1 1  -30   18   53 o   77.093   15.950   53.573   16.114   53.573   16.114   0.0000   0.0000   77.093   15.950  ?   ?       ?      ? 
1 1 1  -30   18   54 o   35.285   10.477   5.8719   8.7132   14.902   13.158  -1.1802   11.628   41.315   16.174   29.254   13.323 12.06108 20.95489 
1 1 1  -30   18   55 o   41.890   11.455   14.937   9.4419   22.771   14.110   8.5851   12.706   47.748   17.141   36.031   15.200 11.71714 22.90951 
1 1 1  -30   18   56 o   33.853   10.403   3.4452   8.9954   13.937   14.025  -3.8875   11.725   40.047   16.346   27.658   12.874 12.38878 20.80645 
1 1 1  -30   18   57 o   36.116   10.529   7.8404   9.2213  -4.3960   13.716   17.934   12.457   29.168   13.689   43.064   16.002 -13.89622 21.05823 
1 1 1  -30   18   58 o   35.199   10.617   5.2217   9.2215   18.726   14.416  -4.1305   11.997   42.915   16.890   27.483   12.868 15.43106 21.23349 
1 1 1  -30   18   59 f   31.701   9.8646   1.6387   9.0901 -12.6985   13.893   12.370   12.020   25.913   12.583   37.490   15.196 -11.57641 19.72926 
1 1 1  -30   18   60 o   47.204   16.655   24.152   13.266   0.0000   0.0000   24.152   13.266  ?   ?    47.204   16.655      ?      ? 
1 1 1  -30   19   23 o   46.283   15.801   17.619   11.895   17.619   11.895   0.0000   0.0000   46.283   15.801  ?   ?       ?      ? 
1 1 1  -30   19   24 o   47.374   10.677   18.004   7.7727   23.454   11.783   13.806   10.342   52.756   15.474   41.992   14.714 10.76408 21.35315 
1 1 1  -30   19   25 o   44.117   10.496   14.201   7.6150   23.384   11.970   7.9587   9.8697   52.552   15.645   35.682   13.997 16.87006 20.99237 
1 1 1  -30   19   26 o   57.357   10.319   28.094   8.3290   19.219   12.449   35.286   11.207   47.828   16.165   66.887   12.831 -19.05906 20.63840 
1 1 1  -30   19   27 o   61.666   10.513   31.292   8.6400   34.657   13.056   28.669   11.525   64.415   15.201   58.917   14.527 5.498680 21.02631 
1 1 1  -30   19   28 o   37.128   10.267   9.0417   7.5282   6.6519   11.600   10.781   9.8950   35.798   14.767   38.459   14.267 -2.661018 20.53359 
1 1 1  -30   19   29 o   40.864   10.250   12.554   7.6524   4.6838   11.585   18.646   10.192   34.250   14.485   47.479   14.505 -13.22886 20.49902 
1 1 1  -30   19   30 o   63.385   10.348   33.109   8.6373   34.661   13.242   31.959   11.395   64.048   15.438   62.721   13.783 1.327000 20.69536 
1 1 1  -30   19   31 o   41.882   14.341   14.012   9.7993   0.0000   0.0000   14.012   9.7993  ?   ?    41.882   14.341      ?      ? 
1 1 1  -30   19   32 o   44.198   10.289   12.866   7.7028   27.726   12.447   3.6421   9.8063   56.790   15.664   31.606   13.344 25.18418 20.57789 
1 1 1  -30   19   33 o   36.173   9.9959   8.6280   7.1532   5.8700   11.132   10.567   9.3354   34.582   14.383   37.764   13.886 -3.181862 19.99177 
1 1 1  -30   19   34 o   49.553   10.345   21.313   7.9027   12.894   12.165   27.461   10.395   41.115   15.695   57.991   13.483 -16.87646 20.69090 
1 1 1  -30   19   35 o   47.027   10.793   18.053   7.7611   23.490   12.409   14.560   9.9465   51.770   16.037   42.284   14.449 9.485798 21.58565 
1 1 1  -30   19   36 o   37.037   10.388   8.5735   7.6762   12.743   12.086   5.7541   9.9382   40.776   15.625   33.298   13.694 7.477867 20.77683 
1 1 1  -30   19   37 o   52.805   16.316   24.873   12.854   24.873   12.854   0.0000   0.0000   52.805   16.316  ?   ?       ?      ? 
1 1 1  -30   19   38 o   28.870   9.1853  -1.0711   7.4556  -2.9769   11.825   0.1864   9.6054   29.221   13.357   28.519   12.612 0.7020626 18.37057 
1 1 1  -30   19   39 o   45.202   11.078   17.372   8.2446   20.462   12.468   14.971   10.990   47.987   16.178   42.416   15.138 5.571735 22.15618 
1 1 1  -30   19   40 o   40.591   10.506   12.672   8.2069   3.6664   12.324   19.849   11.001   33.498   14.563   47.684   15.147 -14.18594 21.01236 
1 1 1  -30   19   41 o   48.944   11.478   21.774   8.8787   20.583   13.679   22.642   11.671   47.486   16.895   50.402   15.543 -2.916302 22.95666 
1 1 1  -30   19   42 o   44.608   10.282   16.220   8.7301  -0.7793   13.385   28.806   11.517   31.657   14.370   57.560   14.710 -25.90313 20.56384 
1 1 1  -30   19   43 o   83.582   9.9393   58.919   10.734   54.041   16.353   62.612   14.227   77.904   16.025   89.261   11.762 -11.35738 19.87851 
1 1 1  -30   19   44 o   39.029   10.554   8.0443   8.4854   23.673   13.361  -2.5194   10.985   49.988   16.748   28.070   12.847 21.91772 21.10803 
1 1 1  -30   19   45 o   41.710   15.286   15.128   11.301   0.0000   0.0000   15.128   11.301  ?   ?    41.710   15.286      ?      ? 
1 1 1  -30   19   46 o   50.251   11.861   24.734   9.5914   21.640   14.859   26.943   12.558   46.985   17.473   53.516   16.046 -6.531254 23.72262 
1 1 1  -30   19   47 o   70.871   11.001   46.653   10.454   37.702   15.834   53.571   13.920   60.981   17.953   80.761   12.719 -19.78055 22.00197 
1 1 1  -30   19   48 o   37.504   10.461   9.3993   8.9776  -4.7601   13.877   19.592   11.773   29.482   13.815   45.527   15.713 -16.04502 20.92270 
1 1 1  -30   19   49 o   51.166   12.002   26.673   9.7345   25.431   14.671   27.649   13.011   49.409   17.506   52.924   16.425 -3.514904 24.00493 
1 1 1  -30   19   50 o   48.714   17.596   25.256   14.894   25.256   14.894   0.0000   0.0000   48.714   17.596  ?   ?       ?      ? 
1 1 1  -30   19   51 o   29.091   13.556  -2.8664   13.059  -2.8664   13.059   0.0000   0.0000   29.091   13.556  ?   ?       ?      ? 
1 1 1  -30   19   52 o   46.485   11.286   22.087   9.6560   9.6627   14.444   32.125   12.983   36.347   15.784   56.622   16.137 -20.27473 22.57290 
1 1 1  -30   19   53 f   67.602   12.001   46.381   10.884   51.589   16.735   42.564   14.328   69.945   17.655   65.258   16.261 4.687759 24.00258 
1 1 1  -30   20   31 o   26.631   12.421  -5.3946   11.006  -5.3946   11.006   0.0000   0.0000   26.631   12.421  ?   ?       ?      ? 
1 1 1  -30   20   32 o   31.809   9.7601   3.6504   7.6067   1.9000   12.856   4.5933   9.4356   32.395   14.443   31.223   13.131 1.171671 19.52019 
1 1 1  -30   20   33 o   38.537   10.887   9.5753   8.3376   18.986   14.174   4.5963   10.310   45.146   17.011   31.928   13.590 13.21802 21.77317 
1 1 1  -30   20   34 o   35.884   15.389   7.2223   13.398   7.2223   13.398   0.0000   0.0000   35.884   15.389  ?   ?       ?      ? 
1 1 1  -30   20   35 o   32.912   14.546   3.3497   12.759   3.3497   12.759   0.0000   0.0000   32.912   14.546  ?   ?       ?      ? 
1 1 1  -30   20   36 o   62.807   11.470   36.185   9.6624   41.818   15.445   32.563   12.386   65.762   17.152   59.853   15.232 5.908813 22.93937 
1 1 1  -30   20   37 o   43.990   11.301   16.377   8.6605   26.449   14.137   10.325   10.957   51.307   17.227   36.673   14.632 14.63389 22.60268 
1 1 1  -30   20   38 o   49.322   11.630   23.163   8.9155   27.762   14.446   20.333   11.331   52.117   17.415   46.527   15.418 5.590763 23.25964 
1 1 1  -30   20   39 o   46.667   10.364   13.723   8.8055   41.086   14.449  -2.4430   11.106   65.597   16.321   27.737   12.777 37.86011 20.72708 
1 1 1  -30   20   40 o   33.349   10.217   4.5047   8.2364   11.869   13.715   0.3501   10.301   38.299   15.949   28.399   12.775 9.900364 20.43431 
1 1 1  -30   20   41 o   31.663   9.9463   1.4748   8.2426   10.689   13.804  -3.6305   10.275   37.308   15.797   26.017   12.091 11.29102 19.89262 
1 1 1  -30   20   42 o   27.915   9.2636  -4.0848   8.3094  -0.9594   14.357  -5.6592   10.190   31.009   14.369   24.820   11.696 6.188913 18.52711 
1 1 1  -30   20   43 o   57.842   15.996   33.085   12.959   0.0000   0.0000   33.085   12.959  ?   ?    57.842   15.996      ?      ? 
1 1 1  -30   20   44 f   48.329   10.507   24.157   9.5424   3.3887   15.366   37.193   12.174   33.279   15.218   63.379   14.490 -30.10033 21.01310 
1 1 1  -30   20   45 f   27.976   9.2817  -9.9931   8.5098   10.197   14.401 -20.8266   10.549   36.237   15.748   19.715   9.8283 16.52212 18.56338 
1 1 1  -29    0    1 o  199.610   6.3589  271.040   17.161   0.0000   0.0000  271.040   17.161  199.610   6.3589  199.610   6.3589 -0.000000 0.000000 
1 1 1  -29    0    2 o  266.830   9.4965  485.218   34.240   0.0000   0.0000  485.218   34.240  266.830   9.4965  266.830   9.4965 -0.000000 0.000000 
1 1 1  -29    0    3 f  104.400   10.284   76.144   14.226   0.0000   0.0000   76.144   14.226  104.400   10.284  104.400   10.284 -0.000000 0.000000 
1 1 1  -29    0    4 o  128.038   9.5869  113.153   16.420   0.0000   0.0000  113.153   16.420  128.038   9.5869  128.038   9.5869 -0.000000 0.000000 
1 1 1  -29    0    5 f  318.606   10.223  691.461   44.034   0.0000   0.0000  691.461   44.034  318.606   10.223  318.606   10.223 -0.000000 0.000000 
1 1 1  -29    0    6 o  408.913   11.530  1138.85   63.778   0.0000   0.0000  1138.85   63.778  408.913   11.530  408.913   11.530 -0.000000 0.000000 
1 1 1  -29    0    7 o  241.203   6.5884  395.443   21.499   0.0000   0.0000  395.443   21.499  241.203   6.5884  241.203   6.5884 -0.000000 0.000000 
1 1 1  -29    0    8 o  269.279   6.7578  492.708   24.625   0.0000   0.0000  492.708   24.625  269.279   6.7578  269.279   6.7578 -0.000000 0.000000 
1 1 1  -29    0    9 o  212.548   6.5141  307.233   18.723   0.0000   0.0000  307.233   18.723  212.548   6.5141  212.548   6.5141 -0.000000 0.000000 
1 1 1  -29    0   10 o  486.171   9.0311  1605.86   59.453   0.0000   0.0000  1605.86   59.453  486.171   9.0311  486.171   9.0311 -0.000000 0.000000 
1 1 1  -29    0   11 o  451.050   8.5555  1383.75   52.173  1334.36   72.187  1437.77   75.492  442.625   12.055  459.475   12.143 -0.000000 0.000000 
1 1 1  -29    0   12 o  512.142   9.3134  1787.01   64.539  1795.66   91.207  1778.34   91.338  513.394   13.129  510.890   13.213 -0.000000 0.000000 
1 1 1  -29    0   13 o  564.382   9.9973  2170.98   76.350  2162.02  107.453  2180.12  108.504  563.213   14.099  565.552   14.178 -0.000000 0.000000 
1 1 1  -29    0   14 o  439.057   8.4210  1312.44   50.012  1343.85   71.349  1282.09   70.123  444.238   11.871  433.875   11.947 -0.000000 0.000000 
1 1 1  -29    0   15 o  439.278   8.4275  1314.11   50.084  1312.87   70.654  1315.37   71.005  439.073   11.894  439.483   11.942 -0.000000 0.000000 
1 1 1  -29    0   16 o  567.509   10.067  2195.28   77.306  2188.98  108.982  2201.66  109.677  566.694   14.212  568.324   14.261 -0.000000 0.000000 
1 1 1  -29    0   17 o  513.427   9.3697  1794.14   65.057  1734.94   90.218  1858.27   93.901  504.604   13.214  522.251   13.288 -0.000000 0.000000 
1 1 1  -29    0   18 o  447.996   8.5639  1366.76   51.902  1350.05   72.919  1383.93   73.891  445.214   12.106  450.777   12.116 -0.000000 0.000000 
1 1 1  -29    0   19 o  482.649   8.9930  1585.80   58.706  1635.29   84.344  1539.29   81.762  489.962   12.722  475.335   12.714 -0.000000 0.000000 
1 1 1  -29    0   20 o  223.379   6.5038  339.927   19.592  361.331   28.252  320.096   27.194  230.196   9.0888  216.562   9.3055 -0.000000 0.000000 
1 1 1  -29    0   21 o  274.802   6.8148  514.374   25.298  495.717   35.453  533.729   36.110  269.693   9.7295  279.911   9.5448 -0.000000 0.000000 
1 1 1  -29    0   22 o  233.991   6.5854  373.015   20.794  391.047   29.930  356.193   28.909  239.487   9.2539  228.496   9.3722 -0.000000 0.000000 
1 1 1  -29    0   23 o  405.445   8.1109  1119.38   44.478  1095.90   62.433  1143.56   63.380  401.113   11.507  409.777   11.434 -0.000000 0.000000 
1 1 1  -29    0   24 o  318.897   7.3036  692.617   31.476  699.088   45.225  686.539   43.835  320.327   10.443  317.468   10.213 -0.000000 0.000000 
1 1 1  -29    0   25 o  121.858   9.7541  102.738   15.870   0.0000   0.0000  102.738   15.870  121.858   9.7541  121.858   9.7541 -0.000000 0.000000 
1 1 1  -29    0   26 o  104.770   10.368   76.707   14.389   0.0000   0.0000   76.707   14.389  104.770   10.368  104.770   10.368 -0.000000 0.000000 
1 1 1  -29    0   27 o  264.243   6.8333  475.934   24.392  479.357   34.812  472.633   34.188  265.171   9.7173  263.315   9.6100 -0.000000 0.000000 
1 1 1  -29    0   28 o  187.887   6.5871  241.250   16.666  245.835   24.096  237.045   23.077  189.588   9.4319  186.186   9.1977 -0.000000 0.000000 
1 1 1  -29    0   29 o   75.442   10.351   42.866   9.3850   42.015   13.855   43.587   12.757   74.122   15.680   76.762   13.516 -0.000000 0.000000 
1 1 1  -29    0   30 o  324.799   7.3828  718.020   32.399  743.476   46.814  694.617   44.886  330.328   10.482  319.270   10.400 -0.000000 0.000000 
1 1 1  -29    0   31 o  321.864   7.3651  704.812   32.021  737.854   46.405  674.778   44.243  329.073   10.430  314.655   10.402 -0.000000 0.000000 
1 1 1  -29    0   32 o  356.291   7.6886  864.833   37.033  835.721   51.995  894.805   52.757  350.169   10.982  362.412   10.764 -0.000000 0.000000 
1 1 1  -29    0   33 o  382.275   11.349  995.954   58.673  995.954   58.673   0.0000   0.0000  382.275   11.349  382.275   11.349 -0.000000 0.000000 
1 1 1  -29    0   34 o  171.959   9.9259  202.850   22.954  202.850   22.954   0.0000   0.0000  171.959   9.9259  171.959   9.9259 -0.000000 0.000000 
1 1 1  -29    0   35 o  355.588   7.7091  861.582   37.060  871.236   53.103  852.415   51.745  357.519   10.984  353.657   10.820 -0.000000 0.000000 
1 1 1  -29    0   36 o  522.732   9.6336  1861.17   68.073  1941.39   98.898  1788.94   93.841  533.419   13.702  512.045   13.545 -0.000000 0.000000 
1 1 1  -29    0   37 o  251.446   6.9353  431.565   23.542  426.975   33.626  435.977   32.970  250.100   9.9572  252.791   9.6565 -0.000000 0.000000 
1 1 1  -29    0   38 o  443.242   8.6771  1339.28   52.014  1362.13   74.656  1317.72   72.508  446.905   12.349  439.579   12.193 -0.000000 0.000000 
1 1 1  -29    0   39 o  513.401   9.5318  1798.20   66.195  1829.53   94.948  1768.57   92.334  517.739   13.554  509.063   13.406 -0.000000 0.000000 
1 1 1  -29    0   40 o  186.269   6.8986  237.653   17.288  238.066   24.999  237.275   23.934  186.382   9.9627  186.156   9.5450 -0.000000 0.000000 
1 1 1  -29    0   41 o  270.543   7.0843  498.212   25.856  523.915   37.797  475.605   35.447  277.096   10.096  263.989   9.9407 -0.000000 0.000000 
1 1 1  -29    0   42 o  161.838   7.0893  180.422   15.346  175.419   22.556  184.733   20.939  159.600   10.535  164.076   9.4899 -0.000000 0.000000 
1 1 1  -29    0   43 o  355.988   7.8205  863.191   37.607  892.495   54.689  836.902   51.799  361.701   11.182  350.275   10.937 -0.000000 0.000000 
1 1 1  -29    0   44 o  388.131   8.1370  1027.65   42.699  1033.98   61.245  1021.66   59.562  389.268   11.634  386.994   11.380 -0.000000 0.000000 
1 1 1  -29    0   45 o  330.172   7.5966  743.540   33.887  751.712   48.897  735.989   47.006  331.889   10.899  328.455   10.586 -0.000000 0.000000 
1 1 1  -29    0   46 o  357.337   10.943  871.166   52.877   0.0000   0.0000  871.166   52.877  357.337   10.943  357.337   10.943 -0.000000 0.000000 
1 1 1  -29    0   47 o  438.872   12.211  1314.94   72.496   0.0000   0.0000  1314.94   72.496  438.872   12.211  438.872   12.211 -0.000000 0.000000 
1 1 1  -29    0   48 o  179.076   7.0912  220.531   17.013  214.950   25.032  225.323   23.193  176.828   10.532  181.324   9.4983 -0.000000 0.000000 
1 1 1  -29    0   49 o  107.689   8.9881   83.524   12.266   74.763   18.700   90.140   16.251  101.781   14.386  113.598   10.779 -0.000000 0.000000 
1 1 1  -29    0   50 o  244.931   7.2570  411.882   23.879  372.681   34.095  449.624   33.455  233.257   10.840  256.605   9.6517 -0.000000 0.000000 
1 1 1  -29    0   51 o  320.991   7.6908  704.317   33.327  690.516   48.025  717.136   46.286  317.872   11.180  324.109   10.564 -0.000000 0.000000 
1 1 1  -29    0   52 f  210.853   7.5202  306.288   21.192  292.350   31.581  317.706   28.583  206.253   11.378  215.452   9.8364 -0.000000 0.000000 
1 1 1  -29    0   53 o  173.406   12.147  207.946   28.222  207.946   28.222   0.0000   0.0000  173.406   12.147  173.406   12.147 -0.000000 0.000000 
1 1 1  -29    0   54 o  325.645   7.7862  724.696   34.232  724.293   49.595  725.062   47.307  325.491   11.275  325.799   10.742 -0.000000 0.000000 
1 1 1  -29    0   55 o  401.999   8.4459  1104.14   45.880  1117.68   66.422  1091.80   63.448  404.298   12.148  399.699   11.737 -0.000000 0.000000 
1 1 1  -29    0   56 o  423.020   8.6671  1223.08   49.553  1240.75   71.681  1206.90   68.578  425.893   12.444  420.147   12.067 -0.000000 0.000000 
1 1 1  -29    0   57 o  279.587   7.4800  534.967   28.189  530.279   41.109  539.128   38.728  278.334   10.937  280.840   10.207 -0.000000 0.000000 
1 1 1  -29    0   58 o  231.148   7.3344  365.638   22.768  370.944   33.922  361.289   30.714  232.568   10.817  229.727   9.9081 -0.000000 0.000000 
1 1 1  -29    0   59 o   71.382   13.964   40.312   11.512   52.272   18.775   33.107   14.572   80.968   19.751   61.795   19.744 -0.000000 0.000000 
1 1 1  -29    0   60 o  112.302   9.3904   91.663   13.230   79.452   20.278  100.714   17.458  104.530   15.267  120.075   10.938 -0.000000 0.000000 
1 1 1  -29    0   61 o  341.581   7.9657  798.958   36.722  797.697   53.443  800.086   50.544  341.221   11.588  341.940   10.933 -0.000000 0.000000 
1 1 1  -29    0   62 o  153.598   7.8888  162.745   16.058  169.183   24.696  158.028   21.137  156.038   11.836  151.158   10.433 -0.000000 0.000000 
1 1 1  -29    0   63 o  169.475   9.9071  197.830   22.575   0.0000   0.0000  197.830   22.575  169.475   9.9071  169.475   9.9071 -0.000000 0.000000 
1 1 1  -29    0   64 o  168.937   10.039  196.770   22.797   0.0000   0.0000  196.770   22.797  168.937   10.039  168.937   10.039 -0.000000 0.000000 
1 1 1  -29    0   65 o  221.906   7.4315  337.699   22.085  346.834   33.391  330.595   29.446  224.414   11.041  219.399   9.9506 -0.000000 0.000000 
1 1 1  -29    0   66 o  158.222   7.8412  172.068   16.409  184.190   25.660  163.681   21.344  162.713   11.779  153.731   10.353 -0.000000 0.000000 
1 1 1  -29    0   67 o   53.824   20.740   27.426   14.337   0.0000   0.0000   27.426   14.337   53.824   20.740   53.824   20.740 -0.000000 0.000000 
1 1 1  -29    0   69 o  153.970   12.200  166.057   25.088  166.057   25.088   0.0000   0.0000  153.970   12.200  153.970   12.200 -0.000000 0.000000 
1 1 1  -29    0   70 o  117.343   13.440   98.693   20.646   98.693   20.646   0.0000   0.0000  117.343   13.440  117.343   13.440 -0.000000 0.000000 
1 1 1  -29    0   71 o   95.645   10.391   68.879   12.006   60.517   18.357   75.129   15.871   88.795   17.082  102.495   11.837 -0.000000 0.000000 
1 1 1  -29    0   72 o  190.719   7.4319  251.584   18.967  258.817   28.531  245.856   25.390  192.983   10.991  188.454   10.006 -0.000000 0.000000 
1 1 1  -29    0   73 o  151.630   7.8914  162.043   15.815  153.822   23.880  168.466   21.108  147.685   12.120  155.575   10.110 -0.000000 0.000000 
1 1 1  -29    0   74 o  118.402   8.4225   97.796   13.031  115.241   20.339   85.647   16.973  127.356   12.032  109.449   11.790 -0.000000 0.000000 
1 1 1  -29    0   75 o   36.408   13.048   13.422   9.2696   2.2813   15.003   20.302   11.789   27.864   17.803   44.953   19.079 -0.000000 0.000000 
1 1 1  -29    0   76 o   56.868   14.353   29.952   9.9179   32.044   15.957   28.635   12.661   57.435   21.816   56.300   18.657 -0.000000 0.000000 
1 1 1  -29    0   77 o   69.958   12.929   41.349   10.309   39.525   16.833   42.444   13.040   65.925   21.321   73.991   14.630 -0.000000 0.000000 
1 1 1  -29    0   78 o   28.351   16.641   7.2097   10.783   0.0000   0.0000   7.2097   10.783   28.351   16.641   28.351   16.641 -0.000000 0.000000 
1 1 1  -29    0   79 o   81.271   14.211   50.449   14.219   0.0000   0.0000   50.449   14.219   81.271   14.211   81.271   14.211 -0.000000 0.000000 
1 1 1  -29    0   80 o   31.301   17.653   10.003   11.435   0.0000   0.0000   10.003   11.435   31.301   17.653   31.301   17.653 -0.000000 0.000000 
1 1 1  -29    0   81 o  125.930   10.373  112.759   17.426   0.0000   0.0000  112.759   17.426  125.930   10.373  125.930   10.373 -0.000000 0.000000 
1 1 1  -29    0   82 o  105.024   11.199   79.896   15.483   0.0000   0.0000   79.896   15.483  105.024   11.199  105.024   11.199 -0.000000 0.000000 
1 1 1  -29    1    1 o  295.719   4.8577  593.844   19.466  588.258   27.566  599.400   27.492  294.328   6.9112  297.110   6.8282 -2.782043 9.715399 
1 1 1  -29    1    2 o  490.475   6.3832  1636.01   42.426  1636.46   60.137  1635.56   59.863  490.538   9.0466  490.412   9.0078 0.1261902 12.76638 
1 1 1  -29    1    3 o  548.987   6.9255  2050.72   51.521  2063.46   73.266  2038.26   72.463  550.668   9.8181  547.306   9.7702 3.361877 13.85107 
1 1 1  -29    1    4 o  512.241   6.6075  1784.37   45.861  1807.68   65.444  1761.88   64.287  515.523   9.3678  508.959   9.3210 6.563568 13.21497 
1 1 1  -29    1    5 o  346.660   5.2365  816.229   24.598  811.928   34.899  820.475   34.676  345.748   7.4485  347.572   7.3622 -1.824738 10.47291 
1 1 1  -29    1    6 o  390.761   5.5882  1036.54   29.579  1067.92   42.588  1007.30   41.112  396.466   7.9268  385.056   7.8789 11.41071 11.17635 
1 1 1  -29    1    7 o  344.211   5.2249  804.642   24.371  806.483   34.611  802.832   34.322  344.599   7.4118  343.823   7.3663 0.7760010 10.44973 
1 1 1  -29    1    8 o  293.793   4.9120  585.804   19.552  598.782   27.977  573.414   27.336  296.972   6.9518  290.614   6.9413 6.357849 9.823904 
1 1 1  -29    1    9 f  328.377   5.1468  732.149   22.900  715.584   32.196  749.110   32.579  324.614   7.3191  332.140   7.2382 -7.525452 10.29369 
1 1 1  -29    1   10 f  433.905   6.8315  1278.15   40.169  1278.15   40.169   0.0000   0.0000  433.905   6.8315  ?   ?       ?      ? 
1 1 1  -29    1   11 o  514.307   7.6419  1796.58   53.261  1796.58   53.261   0.0000   0.0000  514.307   7.6419  ?   ?       ?      ? 
1 1 1  -29    1   12 o  393.758   6.4819  1052.36   34.587  1052.36   34.587   0.0000   0.0000  393.758   6.4819  ?   ?       ?      ? 
1 1 1  -29    1   13 o  295.083   4.8593  591.115   19.431  594.888   27.553  587.383   27.407  296.020   6.8685  294.146   6.8756 1.873901 9.718539 
1 1 1  -29    1   14 o  366.063   5.3582  910.089   26.580  913.330   37.652  906.869   37.528  366.713   7.5766  365.413   7.5786 1.299500 10.71640 
1 1 1  -29    1   15 o  371.894   5.3968  939.275   27.197  950.094   38.659  928.673   38.269  374.015   7.6275  369.773   7.6370 4.241486 10.79364 
1 1 1  -29    1   16 o  287.114   4.8317  559.607   18.799  556.987   26.498  562.263   26.674  286.438   6.8264  287.790   6.8396 -1.352325 9.663359 
1 1 1  -29    1   17 f  376.408   5.4434  962.276   27.765  972.827   39.446  951.915   39.088  378.454   7.6914  374.362   7.7050 4.091431 10.88688 
1 1 1  -29    1   18 o  515.606   6.6227  1807.57   46.270  1783.64   64.957  1832.22   65.926  512.143   9.3594  519.068   9.3724 -6.925232 13.24542 
1 1 1  -29    1   19 o  431.606   5.9012  1265.76   34.514  1278.42   49.063  1253.35   48.560  433.743   8.3472  429.470   8.3439 4.273102 11.80233 
1 1 1  -29    1   20 f  318.392   5.0539  688.329   21.806  682.814   30.769  693.893   30.906  317.109   7.1602  319.674   7.1344 -2.564575 10.10787 
1 1 1  -29    1   21 o  286.238   5.9301  556.337   21.752  555.392   26.715  558.195   37.467  286.015   6.8926  286.461   9.6517 -0.4456482 11.86012 
1 1 1  -29    1   22 o  344.492   6.3858  803.112   28.155  795.488   34.470  818.394   48.804  342.240   7.4323  346.745   10.386 -4.504944 12.77157 
1 1 1  -29    1   23 o  381.810   6.7513  992.504   33.025  994.352   40.589  988.886   56.806  382.580   7.8289  381.039   11.001 1.540588 13.50252 
1 1 1  -29    1   24 f  344.926   5.2794  807.953   24.675  818.363   35.173  797.865   34.626  347.112   7.4775  342.740   7.4550 4.372284 10.55889 
1 1 1  -29    1   25 o  510.518   6.6186  1772.37   45.784  1798.73   65.347  1746.95   64.165  514.243   9.3773  506.793   9.3430 7.449219 13.23729 
1 1 1  -29    1   26 o  549.974   6.9845  2057.83   52.047  2091.94   74.360  2025.07   72.874  554.436   9.8970  545.512   9.8580 8.923584 13.96891 
1 1 1  -29    1   27 o  489.587   7.8978  1626.44   49.242  1653.30   86.134  1613.40   60.016  492.113   12.916  487.061   9.0929 5.051941 15.79566 
1 1 1  -29    1   28 o  302.368   6.1348  615.449   23.586  639.409   41.608  604.104   28.631  306.487   10.018  298.249   7.0840 8.238770 12.26955 
1 1 1  -29    1   29 o  257.009   4.7982  448.542   16.710  446.642   23.739  450.408   23.525  256.466   6.8305  257.552   6.7405 -1.086212 9.596365 
1 1 1  -29    1   30 o  223.245   4.7029  338.409   14.227  337.476   20.215  339.325   20.025  222.937   6.6913  223.553   6.6102 -0.6156158 9.405748 
1 1 1  -29    1   31 o  157.631   5.8155  168.890   11.648  168.975   20.389  168.849   14.192  157.571   9.5484  157.692   6.6413 -0.1207275 11.63095 
1 1 1  -29    1   32 o  319.967   6.3690  699.114   25.986  688.584   44.989  704.386   31.833  317.932   10.442  322.002   7.2952 -4.069946 12.73799 
1 1 1  -29    1   33 o  361.587   5.4559  888.397   26.731  870.275   37.554  907.009   38.058  357.845   7.7442  365.328   7.6874 -7.482239 10.91186 
1 1 1  -29    1   34 o  361.440   5.4847  887.644   26.859  864.118   37.649  912.025   38.328  356.559   7.7918  366.320   7.7210 -9.760834 10.96931 
1 1 1  -29    1   35 o  502.554   8.1453  1724.57   52.266  1727.25   64.021  1719.21   90.501  503.729   9.3787  501.380   13.320 2.349060 16.29056 
1 1 1  -29    1   36 o  605.982   9.3218  2532.68   72.509  2580.03   89.719  2443.52  123.120  615.154   10.763  596.809   15.223 18.34528 18.64362 
1 1 1  -29    1   37 o  476.451   6.3844  1545.04   41.221  1543.50   58.404  1546.57   58.186  476.210   9.0503  476.692   9.0074 -0.4825745 12.76880 
1 1 1  -29    1   38 f  233.205   4.8318  369.487   15.264  355.879   21.503  383.305   21.669  228.868   6.9333  237.542   6.7317 -8.673447 9.663616 
1 1 1  -29    1   39 o  261.617   4.9282  465.054   17.472  465.241   24.777  464.869   24.641  261.668   6.9875  261.567   6.9517 0.1010132 9.856488 
1 1 1  -29    1   40 o  207.807   4.8015  293.388   13.519  286.486   19.046  300.397   19.193  205.339   6.8447  210.275   6.7354 -4.935455 9.602905 
1 1 1  -29    1   41 o  342.129   5.3955  795.692   25.011  777.221   35.058  814.839   35.693  338.083   7.6521  346.175   7.6086 -8.091980 10.79099 
1 1 1  -29    1   42 o  305.608   5.1715  634.792   21.415  647.204   30.539  622.784   30.037  308.548   7.3037  302.668   7.3234 5.879517 10.34294 
1 1 1  -29    1   43 o  198.126   4.8251  266.762   12.954  262.443   18.279  271.119   18.360  196.511   6.8642  199.740   6.7829 -3.228928 9.650124 
1 1 1  -29    1   44 o  342.943   5.4158  799.936   25.168  791.348   35.495  808.619   35.693  341.089   7.6793  344.798   7.6389 -3.708923 10.83164 
1 1 1  -29    1   45 o  257.480   5.9958  450.354   19.959  447.975   24.732  454.798   33.796  256.691   7.1101  258.268   9.6563 -1.577087 11.99157 
1 1 1  -29    1   46 o  384.099   5.7797  1004.22   30.082  1000.87   42.328  1007.65   42.760  383.457   8.1458  384.741   8.2014 -1.284912 11.55931 
1 1 1  -29    1   47 o  223.066   5.9353  332.487   17.007  358.584   29.637  319.675   20.766  229.308   9.5376  216.824   7.0674 12.48338 11.87070 
1 1 1  -29    1   48 o  281.856   6.2029  542.078   22.485  538.830   38.343  543.781   27.759  280.961   10.071  282.751   7.2446 -1.790131 12.40584 
1 1 1  -29    1   49 o  310.003   5.2899  653.889   22.222  653.082   31.460  654.692   31.394  309.810   7.4935  310.196   7.4685 -0.3861084 10.57976 
1 1 1  -29    1   50 o  286.911   5.2037  559.824   20.227  574.654   28.964  545.707   28.260  290.619   7.3546  283.204   7.3637 7.415527 10.40738 
1 1 1  -29    1   51 o  449.215   6.2990  1375.90   38.344  1369.30   54.303  1382.46   54.151  448.130   8.9421  450.300   8.8741 -2.170502 12.59803 
1 1 1  -29    1   52 o  529.764   8.6600  1913.43   58.111  1956.79  102.785  1893.06   70.451  533.034   14.230  526.495   9.8743 6.538696 17.32006 
1 1 1  -29    1   53 o  321.690   5.5160  704.652   24.045  714.768   34.212  694.777   33.800  323.974   7.7927  319.407   7.8090 4.566040 11.03205 
1 1 1  -29    1   54 o  395.069   7.3118  1055.48   36.534  1035.02   44.133  1100.03   65.123  389.675   8.3575  400.463   12.000 -10.78818 14.62367 
1 1 1  -29    1   55 o  296.958   5.3250  599.910   21.418  621.437   30.868  579.924   29.743  302.089   7.5403  291.828   7.5209 10.26050 10.64990 
1 1 1  -29    1   56 o  248.605   5.1448  420.920   17.327  410.870   24.591  430.828   24.417  245.638   7.3875  251.571   7.1623 -5.932617 10.28955 
1 1 1  -29    1   57 o  289.808   5.3096  572.146   20.851  564.489   29.473  579.818   29.502  287.857   7.5556  291.759   7.4618 -3.901886 10.61911 
1 1 1  -29    1   58 o  312.322   5.4136  664.715   22.912  672.498   32.576  657.097   32.230  314.132   7.6525  310.512   7.6596 3.619415 10.82728 
1 1 1  -29    1   59 o  143.787   5.5137  140.990   10.740  140.159   15.353  141.785   15.030  143.360   7.9029  144.214   7.6907 -0.8540344 11.02739 
1 1 1  -29    1   60 o  119.166   5.9583   96.880   9.6106  103.682   13.802   90.478   13.391  123.241   8.2640  115.092   8.5856 8.148399 11.91662 
1 1 1  -29    1   61 o  209.365   5.2007  298.980   14.749  290.351   20.921  307.508   20.796  206.337   7.4820  212.392   7.2255 -6.054993 10.40133 
1 1 1  -29    1   62 o  152.517   7.5993  158.631   15.541  168.154   24.046  151.799   20.367  156.293   11.353  148.741   10.105 7.552155 15.19857 
1 1 1  -29    1   63 o  131.482   8.0476  120.856   14.024  109.660   21.626  128.981   18.422  125.884   12.677  137.080   9.9171 -11.19595 16.09521 
1 1 1  -29    1   64 o   72.500   9.9051   43.684   8.9739   19.133   14.791   57.986   11.289   53.028   17.618   91.972   9.0576 -38.94430 19.81018 
1 1 1  -29    1   65 f   64.471   9.0078   29.922   7.6649   22.846   11.012   36.572   10.676   56.127   14.405   72.815   10.819 -16.68855 18.01569 
1 1 1  -29    1   66 o  138.723   5.5453  131.638   10.416  139.062   14.921  124.581   14.548  142.556   7.7238  134.889   7.9588 7.667160 11.09057 
1 1 1  -29    1   67 o  227.665   5.1542  354.505   15.901  358.473   22.631  350.637   22.346  228.921   7.2952  226.409   7.2832 2.512207 10.30848 
1 1 1  -29    1   68 o  208.658   5.2718  298.307   14.900  289.820   21.145  306.678   20.999  205.670   7.5868  211.647   7.3217 -5.977295 10.54356 
1 1 1  -29    1   69 o  193.008   6.6804  250.003   16.197  276.379   29.599  238.728   19.351  199.459   10.951  186.556   7.6546 12.90317 13.36078 
1 1 1  -29    1   70 o  138.621   7.1869  128.211   12.266  121.573   14.417  145.617   23.345  132.979   8.0003  144.263   11.941 -11.28403 14.37371 
1 1 1  -29    1   71 o   39.744   9.6564   9.2144   6.8070   16.442   9.5953   1.8914   9.6583   47.601   13.965   31.886   13.340 15.71526 19.31270 
1 1 1  -29    1   72 o  181.012   6.1262  226.812   14.436  225.432   23.942  227.601   18.095  180.069   9.8114  181.955   7.3387 -1.886139 12.25238 
1 1 1  -29    1   73 o   66.536   11.754   33.878   10.433   35.330   13.371   31.618   16.682   68.875   14.769   64.196   18.291 4.679482 23.50892 
1 1 1  -29    1   74 o   87.133   9.6118   57.097   9.6676   59.591   11.429   50.824   18.127   92.554   9.1121   81.711   16.927 10.84251 19.22364 
1 1 1  -29    1   75 o  199.333   5.1397  274.231   13.881  277.164   19.534  271.239   19.730  200.448   7.1912  198.218   7.3452 2.230164 10.27939 
1 1 1  -29    1   76 o  132.441   5.5427  121.625   9.9456  124.887   14.111  118.406   14.019  134.236   7.7575  130.645   7.9187 3.590546 11.08531 
1 1 1  -29    1   77 o  110.922   6.7569   85.195   9.8816   81.043   12.476   92.185   16.187  107.755   8.5439  114.089   10.470 -6.334152 13.51377 
1 1 1  -29    1   78 o   65.102   10.630   32.649   9.2030   35.937   13.157   29.498   12.878   68.564   14.607   61.640   15.447 6.924091 21.26029 
1 1 1  -29    1   79 o  141.079   7.1489  141.560   13.667  140.602   19.383  142.508   19.273  140.561   10.176  141.598   10.044 -1.036407 14.29787 
1 1 1  -29    1   80 o   70.207   10.071   37.956   9.4019   49.327   13.407   26.953   13.188   82.255   12.028   58.159   16.156 24.09601 20.14146 
1 1 1  -29    1   81 o   84.941   8.6398   53.000   9.9438   54.104   14.115   51.913   14.011   85.867   12.130   84.016   12.306 1.851082 17.27970 
1 1 1  -29    1   82 o  104.152   11.116   78.964   15.690   0.0000   0.0000   78.964   15.690  ?   ?   104.152   11.116      ?      ? 
1 1 1  -29    2    1 o  362.136   5.3231  890.260   26.110  912.667   37.652  869.504   36.239  366.515   7.5808  357.757   7.4750 8.758331 10.64629 
1 1 1  -29    2    2 o  382.374   6.7047  1004.53   33.092  1027.95   41.239  962.167   55.459  388.949   7.8240  375.799   10.890 13.14996 13.40931 
1 1 1  -29    2    3 o  493.399   7.8449  1660.38   49.713  1663.81   61.269  1653.76   85.054  494.590   9.1413  492.208   12.752 2.382202 15.68974 
1 1 1  -29    2    4 o  277.786   5.8236  527.294   20.928  534.209   26.073  514.767   35.090  280.490   6.8594  275.081   9.4132 5.409149 11.64725 
1 1 1  -29    2    5 o  162.208   5.4504  181.770   11.468  190.001   14.463  167.833   18.820  167.304   6.3791  157.111   8.8394 10.19344 10.90082 
1 1 1  -29    2    6 o  203.279   4.5204  280.344   12.447  285.219   17.926  275.806   17.296  204.981   6.4535  201.577   6.3317 3.404099 9.040888 
1 1 1  -29    2    7 o  155.159   4.5747  163.224   9.6107  167.971   13.944  158.927   13.265  157.302   6.5412  153.015   6.3972 4.287125 9.149413 
1 1 1  -29    2    8 o  293.614   5.5587  587.331   19.404  589.124   22.579  582.264   37.949  294.664   5.6546  292.565   9.5719 2.098053 11.11734 
1 1 1  -29    2    9 o  347.215   5.9809  818.807   24.602  818.204   28.546  820.550   48.506  347.225   6.0667  347.204   10.309 0.2035522E-01 11.96180 
1 1 1  -29    2   10 o  421.565   6.6721  1213.67   33.301  1218.96   38.678  1198.54   65.469  423.737   6.7357  419.392   11.519 4.344971 13.34423 
1 1 1  -29    2   11 o  248.442   5.3490  428.524   15.870  439.489   18.623  399.434   30.332  254.524   5.3992  242.359   9.2355 12.16461 10.69794 
1 1 1  -29    2   12 o  342.873   5.9627  795.711   24.214  792.290   28.068  805.667   47.883  341.686   6.0617  344.059   10.270 -2.372467 11.92534 
1 1 1  -29    2   13 o  420.429   6.6484  1188.62   32.888  1175.12   37.927  1229.53   66.026  416.054   6.7270  424.804   11.470 -8.749512 13.29672 
1 1 1  -29    2   14 o  224.750   5.3346  342.669   16.247  342.669   16.247   0.0000   0.0000  224.750   5.3346  ?   ?       ?      ? 
1 1 1  -29    2   15 o  245.834   5.6195  397.621   17.512  375.786   21.035  446.935   31.613  235.286   6.5973  256.382   9.0989 -21.09686 11.23896 
1 1 1  -29    2   16 f  431.311   7.2186  1258.71   39.611  1244.98   48.196  1287.28   69.532  428.028   8.3092  434.595   11.806 -6.566559 14.43718 
1 1 1  -29    2   17 o  334.211   6.2886  763.145   27.000  771.461   33.355  747.340   45.983  337.047   7.3029  331.375   10.240 5.671844 12.57722 
1 1 1  -29    2   18 o  248.054   5.6740  423.193   18.112  435.174   22.522  401.261   30.472  253.196   6.5639  242.911   9.2570 10.28568 11.34798 
1 1 1  -29    2   19 o  432.359   5.9412  1270.04   34.804  1248.82   48.680  1292.24   49.779  428.669   8.3800  436.050   8.4242 -7.381683 11.88236 
1 1 1  -29    2   20 o  356.321   5.3237  862.369   25.706  855.410   36.312  869.361   36.395  354.878   7.5506  357.765   7.5070 -2.887329 10.64737 
1 1 1  -29    2   21 o  290.470   4.8898  572.888   19.247  568.457   27.250  577.298   27.189  289.346   6.9497  291.594   6.8806 -2.247437 9.779633 
1 1 1  -29    2   22 o  152.576   4.5898  158.141   9.4776  148.521   13.382  167.823   13.425  147.909   6.6764  157.243   6.3001 -9.334351 9.179669 
1 1 1  -29    2   23 o  211.948   4.5823  304.469   13.150  321.370   19.005  288.944   18.215  217.585   6.4454  206.312   6.5151 11.27313 9.164613 
1 1 1  -29    2   24 o  158.441   4.6155  170.491   9.9048  167.505   14.157  173.354   13.863  157.076   6.6510  159.806   6.4013 -2.730270 9.231012 
1 1 1  -29    2   25 o  284.860   4.8990  551.030   18.910  548.508   26.850  553.513   26.637  284.209   6.9716  285.511   6.8847 -1.301483 9.798079 
1 1 1  -29    2   26 o  503.550   6.5588  1724.57   44.752  1743.81   63.811  1705.95   62.779  506.307   9.3003  500.792   9.2507 5.515106 13.11758 
1 1 1  -29    2   27 o  405.879   5.7504  1119.38   31.624  1135.49   45.171  1103.90   44.288  408.738   8.1552  403.019   8.1093 5.719116 11.50075 
1 1 1  -29    2   28 o  358.532   6.6213  872.158   30.219  881.681   52.842  867.530   36.836  359.731   10.840  357.333   7.6071 2.397949 13.24267 
1 1 1  -29    2   29 o  271.530   6.8573  500.690   25.232   0.0000   0.0000  500.690   25.232  ?   ?   271.530   6.8573      ?      ? 
1 1 1  -29    2   30 o  373.776   6.7950  952.929   32.373  944.837   56.184  956.950   39.610  372.298   11.136  375.254   7.7892 -2.956360 13.58993 
1 1 1  -29    2   31 o  425.125   5.9247  1228.74   34.129  1236.78   48.668  1220.96   47.874  426.486   8.4208  423.765   8.3367 2.720703 11.84947 
1 1 1  -29    2   32 o  447.437   6.1132  1361.49   37.063  1371.05   52.848  1352.24   51.992  448.974   8.6862  445.900   8.6043 3.073914 12.22632 
1 1 1  -29    2   33 o  217.050   4.7228  320.024   13.887  311.376   19.665  328.627   19.614  214.117   6.7773  219.983   6.5794 -5.866272 9.445683 
1 1 1  -29    2   34 o  468.285   6.2989  1492.09   39.972  1488.11   56.606  1496.04   56.452  467.658   8.9321  468.913   8.8840 -1.254456 12.59789 
1 1 1  -29    2   35 o  424.724   5.9512  1225.80   34.237  1266.86   49.331  1187.65   47.554  431.575   8.4349  417.872   8.3977 13.70328 11.90244 
1 1 1  -29    2   36 o  372.154   6.8886  947.792   32.736  956.881   40.182  929.854   56.451  375.151   7.9040  369.157   11.284 5.993591 13.77715 
1 1 1  -29    2   37 o  363.408   6.8007  896.440   31.442  890.651   38.299  908.405   55.066  361.936   7.8086  364.879   11.137 -2.943268 13.60134 
1 1 1  -29    2   38 o  218.678   4.7996  324.677   14.218  332.392   20.441  317.445   19.790  221.191   6.8194  216.165   6.7558 5.025223 9.599217 
1 1 1  -29    2   39 o  430.264   6.0239  1259.76   35.122  1246.42   49.615  1273.16   49.726  427.974   8.5549  432.556   8.4831 -4.581970 12.04781 
1 1 1  -29    2   40 o  511.866   6.7253  1784.53   46.643  1812.72   66.663  1757.50   65.284  515.816   9.5369  507.915   9.4849 7.901489 13.45050 
1 1 1  -29    2   41 o  363.180   5.5553  897.028   27.337  876.757   38.450  917.750   38.876  359.023   7.9030  367.337   7.8096 -8.313995 11.11067 
1 1 1  -29    2   42 o  246.977   4.9549  414.479   16.581  423.170   23.666  406.101   23.238  249.520   6.9992  244.434   7.0155 5.085907 9.909846 
1 1 1  -29    2   43 o  408.744   7.1596  1142.26   37.674  1148.22   46.588  1130.98   64.041  410.720   8.3704  406.767   11.618 3.952728 14.31926 
1 1 1  -29    2   44 o  425.645   7.3146  1235.21   40.031  1232.67   49.346  1240.08   68.462  425.485   8.5583  425.805   11.865 -0.3200378 14.62919 
1 1 1  -29    2   45 o  341.407   5.4242  792.949   25.095  785.341   35.428  800.610   35.551  339.759   7.6947  343.055   7.6474 -3.295380 10.84849 
1 1 1  -29    2   46 o  116.153   5.6464   92.153   8.8113   77.563   12.351  107.278   12.575  106.718   8.5401  125.587   7.3887 -18.86893 11.29278 
1 1 1  -29    2   47 o  128.259   5.3901  112.366   9.3255  100.998   13.281  123.421   13.097  121.805   8.0462  134.713   7.1745 -12.90820 10.78027 
1 1 1  -29    2   48 o  228.777   6.0498  356.000   17.677  358.237   30.668  354.887   21.632  229.108   9.8778  228.445   6.9878 0.6627045 12.09962 
1 1 1  -29    2   49 o  167.394   6.0778  186.921   13.043  203.191   22.859  179.067   15.883  172.544   9.7763  162.244   7.2239 10.29968 12.15568 
1 1 1  -29    2   50 o  291.216   6.5311  591.379   24.263  538.455   41.052  619.791   30.078  280.626   10.795  301.807   7.3543 -21.18140 13.06211 
1 1 1  -29    2   51 o  282.289   6.5922  552.384   23.552  518.775   40.830  569.144   28.832  275.382   10.941  289.196   7.3570 -13.81430 13.18448 
1 1 1  -29    2   52 o  220.811   5.1900  331.135   15.511  354.653   22.481  309.768   21.428  228.287   7.2668  213.335   7.4121 14.95299 10.38002 
1 1 1  -29    2   53 o  239.379   5.1325  390.014   16.648  387.736   23.627  392.259   23.462  238.678   7.3049  240.080   7.2116 -1.401871 10.26490 
1 1 1  -29    2   54 o  339.702   6.9273  790.521   29.832  794.432   36.329  782.424   52.274  341.499   7.8503  337.905   11.416 3.594452 13.85455 
1 1 1  -29    2   55 o  287.440   6.6537  561.133   24.050  555.896   28.976  572.729   43.119  285.713   7.4838  289.167   11.004 -3.453461 13.30749 
1 1 1  -29    2   56 o  362.285   5.7195  894.579   28.077  880.284   39.425  909.291   39.995  359.346   8.0961  365.223   8.0811 -5.876648 11.43898 
1 1 1  -29    2   57 o  281.870   7.4970  543.056   28.507  555.976   42.590  532.570   38.370  284.774   11.036  278.966   10.150 5.807343 14.99409 
1 1 1  -29    2   58 o  338.857   6.8939  775.018   29.487  814.429   52.853  757.207   35.531  344.463   11.323  333.250   7.8678 11.21259 13.78777 
1 1 1  -29    2   59 o  252.221   5.1976  433.536   17.763  432.633   25.283  434.416   24.962  251.951   7.4052  252.492   7.2953 -0.5403290 10.39511 
1 1 1  -29    2   60 f  216.211   5.1634  318.688   15.125  316.317   21.564  320.985   21.222  215.404   7.3874  217.018   7.2160 -1.613998 10.32685 
1 1 1  -29    2   61 o  107.249   6.3182   79.362   9.0891   67.522   13.003   90.672   12.709   99.273   9.6659  115.225   8.1394 -15.95196 12.63643 
1 1 1  -29    2   62 o  225.779   6.1301  354.108   18.089  371.185   23.074  326.873   29.139  233.264   7.2994  218.294   9.8504 14.96996 12.26014 
1 1 1  -29    2   63 o  204.970   5.1881  286.628   14.407  293.285   20.651  280.316   20.110  207.285   7.3516  202.656   7.3226 4.629013 10.37625 
1 1 1  -29    2   64 o  218.964   6.1532  325.464   17.313  338.027   29.879  319.114   21.243  221.747   9.9433  216.182   7.2512 5.564514 12.30647 
1 1 1  -29    2   65 f  182.179   6.1567  221.968   14.466  245.779   25.118  210.151   17.695  189.017   9.8061  175.341   7.4470 13.67645 12.31330 
1 1 1  -29    2   66 o  217.263   5.1944  322.758   15.290  324.623   21.870  320.974   21.386  217.860   7.4076  216.666   7.2839 1.194489 10.38881 
1 1 1  -29    2   67 o  235.988   5.1711  380.918   16.533  389.128   23.690  373.122   23.084  238.460   7.3310  233.515   7.2949 4.944458 10.34211 
1 1 1  -29    2   68 f   57.166   10.571   27.134   9.2955   1.8160   18.180   36.097   10.816   42.226   18.012   72.106   11.069 -29.88028 21.14168 
1 1 1  -29    2   69 o  231.245   5.2115  366.493   16.328  373.260   23.358  360.027   22.834  233.325   7.3875  229.165   7.3529 4.160706 10.42301 
1 1 1  -29    2   70 o  217.722   6.6404  325.625   18.099  321.989   21.731  333.857   32.699  216.594   7.4036  218.850   11.026 -2.256439 13.28083 
1 1 1  -29    2   71 o  237.495   5.1985  387.443   16.730  392.922   23.794  382.086   23.526  239.160   7.3418  235.830   7.3616 3.329407 10.39694 
1 1 1  -29    2   72 o  125.407   5.7528  108.340   9.7627  100.597   13.524  116.766   14.108  120.699   8.2684  130.115   8.0009 -9.416557 11.50567 
1 1 1  -29    2   73 o  111.799   5.9571   86.507   9.0220   83.366   12.676   89.732   12.844  109.714   8.5257  113.884   8.3225 -4.170380 11.91429 
1 1 1  -29    2   74 o   84.987   6.8330   50.451   7.8626   47.749   11.043   53.229   11.197   82.626   9.8629   87.347   9.4594 -4.721535 13.66591 
1 1 1  -29    2   75 o   69.363   8.1160   35.170   7.2272   45.938   10.319   24.801   10.126   81.061   9.3936   57.665   13.238 23.39663 16.23192 
1 1 1  -29    2   76 o   75.679   7.1135   40.364   7.2850   37.840   10.270   42.921   10.336   73.211   10.351   78.147   9.7600 -4.935898 14.22705 
1 1 1  -29    2   77 o   89.053   7.5007   56.919   8.7670   59.123   11.245   53.502   13.999   91.833   9.0362   86.272   11.974 5.560677 15.00133 
1 1 1  -29    2   78 o   99.218   8.1890   70.707   10.982   69.243   14.946   72.425   16.191   98.280   11.222  100.157   11.929 -1.876656 16.37810 
1 1 1  -29    2   79 o  101.593   11.023   74.172   15.175   74.172   15.175   0.0000   0.0000  101.593   11.023  ?   ?       ?      ? 
1 1 1  -29    2   80 o  140.441   7.3411  141.869   13.914  152.628   19.419  130.518   19.946  146.358   9.7908  134.524   10.941 11.83423 14.68230 
1 1 1  -29    2   81 f   58.732   10.727   27.415   8.6090   28.987   12.128   25.818   12.223   60.576   14.881   56.888   15.454 3.688782 21.45401 
1 1 1  -29    2   82 o   96.739   11.409   68.473   14.956   0.0000   0.0000   68.473   14.956  ?   ?    96.739   11.409      ?      ? 
1 1 1  -29    3    1 o  222.472   4.4918  335.216   13.521  350.212   19.804  322.123   18.505  227.115   6.4348  217.828   6.2689 9.287018 8.983641 
1 1 1  -29    3    2 o  204.381   4.4479  283.037   12.300  292.772   18.007  274.523   16.840  207.662   6.3990  201.100   6.1796 6.562485 8.895768 
1 1 1  -29    3    3 o  244.752   6.6373  406.742   22.014  406.742   22.014   0.0000   0.0000  244.752   6.6373  ?   ?       ?      ? 
1 1 1  -29    3    4 o  335.579   5.1508  764.875   23.413  767.174   33.635  762.713   32.611  336.056   7.3858  335.101   7.1812 0.9549561 10.30151 
1 1 1  -29    3    5 o  318.297   5.0580  686.479   21.785  717.539   31.884  659.282   29.835  325.025   7.2388  311.569   7.0663 13.45563 10.11603 
1 1 1  -29    3    6 o  161.356   4.5212  176.667   9.8633  177.848   14.469  175.642   13.481  161.850   6.5967  160.863   6.1844 0.9870911 9.042328 
1 1 1  -29    3    7 o  168.969   5.1995  194.452   11.292  195.597   13.938  192.264   19.261  169.762   6.0589  168.176   8.4516 1.585831 10.39903 
1 1 1  -29    3    8 o  358.766   7.4678  875.757   36.282  896.526   52.491  856.756   50.206  362.816   10.676  354.716   10.445 8.099487 14.93558 
1 1 1  -29    3    9 o  403.962   7.9827  1110.58   43.661  1145.69   63.387  1078.88   60.225  410.005   11.409  397.920   11.169 12.08551 15.96540 
1 1 1  -29    3   10 o  436.777   7.2180  1304.73   40.545  1318.31   50.146  1279.10   68.904  440.400   8.4024  433.153   11.739 7.246521 14.43600 
1 1 1  -29    3   11 o  360.395   6.4565  889.125   29.919  902.133   37.035  864.682   50.766  364.432   7.4991  356.358   10.512 8.073853 12.91309 
1 1 1  -29    3   12 o  256.444   5.6142  448.486   18.544  452.211   22.958  441.493   31.455  258.095   6.5639  254.793   9.1099 3.302017 11.22833 
1 1 1  -29    3   13 o  346.928   6.0468  835.577   25.134  856.594   29.546  780.536   47.814  355.263   6.1372  338.594   10.421 16.66870 12.09357 
1 1 1  -29    3   14 o  315.862   5.7922  692.556   21.938  710.210   25.801  646.498   41.675  323.508   5.8854  308.215   9.9780 15.29288 11.58442 
1 1 1  -29    3   15 o  324.436   5.7663  703.770   22.217  691.721   25.710  739.296   44.147  319.264   5.9425  329.608   9.8836 -10.34357 11.53254 
1 1 1  -29    3   16 o  350.725   6.0696  844.570   25.467  854.304   29.802  818.221   49.033  354.782   6.1988  346.669   10.437 8.112701 12.13930 
1 1 1  -29    3   17 o  262.107   5.7995  463.901   19.352  458.293   23.553  475.551   33.951  259.815   6.6897  264.399   9.4756 -4.583160 11.59908 
1 1 1  -29    3   18 o  363.902   6.6198  903.076   30.783  907.772   37.766  893.779   53.137  365.553   7.6237  362.251   10.824 3.302887 13.23969 
1 1 1  -29    3   19 o  438.261   5.9563  1305.41   35.372  1316.86   50.391  1294.30   49.664  440.151   8.4483  436.371   8.3985 3.779449 11.91257 
1 1 1  -29    3   20 o  407.662   5.7120  1129.35   31.555  1128.08   44.769  1130.60   44.482  407.430   8.1085  407.893   8.0475 -0.4634399 11.42405 
1 1 1  -29    3   21 o  364.550   5.3819  902.833   26.586  902.263   37.753  903.395   37.447  364.431   7.6446  364.668   7.5776 -0.2370605 10.76381 
1 1 1  -29    3   22 o  172.691   4.5074  202.606   10.539  196.339   15.052  208.633   14.762  170.061   6.5316  175.320   6.2133 -5.259766 9.014817 
1 1 1  -29    3   23 o  157.819   4.5940  169.124   9.8182  168.150   14.130  170.033   13.652  157.374   6.6255  158.265   6.3657 -0.8910980 9.188009 
1 1 1  -29    3   24 o  327.687   6.2710  722.244   26.096  753.043   46.186  707.800   31.628  332.561   10.248  322.812   7.2300 9.749146 12.54196 
1 1 1  -29    3   25 o  334.284   6.3892  764.592   27.288  746.364   46.952  773.890   33.533  331.039   10.466  337.530   7.3312 -6.491821 12.77841 
1 1 1  -29    3   26 f  232.378   4.7308  365.731   14.870  381.611   21.847  352.025   20.297  237.058   6.8008  227.699   6.5779 9.358658 9.461526 
1 1 1  -29    3   27 o  202.846   6.6206  279.390   18.199  279.390   18.199   0.0000   0.0000  202.846   6.6206  ?   ?       ?      ? 
1 1 1  -29    3   28 o  221.276   4.6489  332.488   13.935  331.574   19.965  333.356   19.459  220.973   6.6672  221.579   6.4806 -0.6063690 9.297815 
1 1 1  -29    3   29 o  365.390   5.4445  907.251   26.954  910.181   38.485  904.430   37.764  365.961   7.7603  364.820   7.6386 1.140869 10.88899 
1 1 1  -29    3   30 o  300.491   6.1811  613.301   23.541  616.692   41.456  611.688   28.599  300.897   10.167  300.084   7.0327 0.8135376 12.36219 
1 1 1  -29    3   31 o  198.599   5.7604  271.492   14.443  258.850   25.273  277.623   17.600  194.994   9.5641  202.203   6.4230 -7.208969 11.52074 
1 1 1  -29    3   32 o  202.731   4.6790  279.018   12.849  282.427   18.495  275.838   17.863  203.922   6.6927  201.540   6.5406 2.381836 9.357983 
1 1 1  -29    3   33 o  333.371   5.2608  754.945   23.759  767.835   34.109  742.797   33.113  336.127   7.4884  330.614   7.3909 5.512848 10.52151 
1 1 1  -29    3   34 o  413.821   5.8536  1164.58   32.823  1171.53   46.800  1157.85   46.045  415.028   8.3212  412.614   8.2349 2.414001 11.70713 
1 1 1  -29    3   35 o  345.700   5.3790  812.441   25.197  804.631   35.738  820.161   35.531  344.039   7.6654  347.361   7.5483 -3.321564 10.75801 
1 1 1  -29    3   36 o  208.207   4.7448  294.581   13.383  288.506   19.032  300.522   18.822  206.075   6.8153  210.339   6.6034 -4.264587 9.489590 
1 1 1  -29    3   37 o  198.276   5.8661  262.947   14.800  254.770   17.926  280.450   26.227  193.645   6.8313  202.908   9.5383 -9.262909 11.73226 
1 1 1  -29    3   38 o  226.595   6.1125  351.975   17.485  356.526   21.253  342.443   30.761  229.066   6.8466  224.124   10.128 4.941940 12.22510 
1 1 1  -29    3   39 f  434.024   6.0645  1281.84   35.664  1299.23   50.952  1265.14   49.937  436.902   8.6058  431.145   8.5471 5.756958 12.12905 
1 1 1  -29    3   40 o  492.620   6.5697  1651.28   43.832  1588.63   60.811  1719.02   63.236  482.905   9.2926  502.334   9.2894 -19.42865 13.13949 
1 1 1  -29    3   41 o  278.351   6.0189  519.472   21.631  502.175   26.590  553.312   37.192  271.785   7.2196  284.917   9.6326 -13.13242 12.03787 
1 1 1  -29    3   42 o  146.238   5.8693  143.692   11.341  137.570   14.376  153.781   18.455  142.230   7.4589  150.247   9.0642 -8.016418 11.73860 
1 1 1  -29    3   43 o  179.919   4.9296  219.920   12.015  225.158   17.269  215.005   16.727  181.991   7.0021  177.846   6.9407 4.145447 9.859144 
1 1 1  -29    3   44 o  143.789   5.1266  140.238   9.9762  149.810   14.519  131.677   13.731  148.428   7.2185  139.150   7.2816 9.277069 10.25319 
1 1 1  -29    3   45 o  131.577   5.3610  117.842   9.5510  116.039   13.727  119.535   13.298  130.588   7.7567  132.565   7.4023 -1.977661 10.72198 
1 1 1  -29    3   46 o  355.123   5.5443  858.257   26.679  841.454   37.571  875.347   37.890  351.609   7.8851  358.638   7.7962 -7.029358 11.08857 
1 1 1  -29    3   47 o  328.018   5.3956  731.881   23.978  745.774   34.392  718.741   33.447  331.039   7.6666  324.997   7.5944 6.042084 10.79128 
1 1 1  -29    3   48 o  263.752   7.1443  473.189   25.535   0.0000   0.0000  473.189   25.535  ?   ?   263.752   7.1443      ?      ? 
1 1 1  -29    3   49 o  374.380   8.0405  954.491   40.792   0.0000   0.0000  954.491   40.792  ?   ?   374.380   8.0405      ?      ? 
1 1 1  -29    3   50 o  199.381   5.1101  270.511   13.802  269.263   19.752  271.701   19.295  198.919   7.3274  199.842   7.1247 -0.9221802 10.22020 
1 1 1  -29    3   51 o  282.469   5.3524  543.173   20.488  541.518   28.946  544.835   29.003  282.037   7.5735  282.901   7.5653 -0.8639526 10.70475 
1 1 1  -29    3   52 o  302.633   7.4904  627.733   30.653  597.808   44.087  655.737   42.648  295.523   11.009  309.743   10.160 -14.22009 14.98083 
1 1 1  -29    3   53 o  237.050   6.3450  380.694   19.012  390.950   33.814  375.953   22.990  239.077   10.437  235.023   7.2183 4.054825 12.69002 
1 1 1  -29    3   54 o  317.587   6.7756  688.013   27.286  686.155   33.170  691.903   47.986  317.381   7.7123  317.793   11.143 -0.4121704 13.55121 
1 1 1  -29    3   55 o  159.521   6.6889  164.792   13.391  151.351   15.873  197.972   24.940  149.031   7.8597  170.011   10.825 -20.98055 13.37773 
1 1 1  -29    3   56 o  200.557   5.1200  273.999   13.909  264.602   19.671  283.395   19.669  197.100   7.3649  204.015   7.1145 -6.914764 10.24005 
1 1 1  -29    3   57 o  275.347   5.2322  516.578   19.521  508.684   27.625  524.451   27.589  273.233   7.4608  277.460   7.3376 -4.227600 10.46443 
1 1 1  -29    3   58 o  286.839   5.2831  560.777   20.534  550.623   28.984  571.009   29.095  284.220   7.5252  289.458   7.4173 -5.237915 10.56626 
1 1 1  -29    3   59 o  330.797   5.5025  746.491   24.665  741.110   35.001  751.799   34.762  329.598   7.8363  331.997   7.7266 -2.399658 11.00497 
1 1 1  -29    3   60 o  219.980   6.0285  327.911   17.340  320.346   21.712  341.232   28.812  216.739   7.3924  223.221   9.5249 -6.482162 12.05698 
1 1 1  -29    3   61 o  113.317   7.1751   90.548   10.655  100.519   13.935   76.512   16.532  121.254   8.4804  105.381   11.576 15.87270 14.35029 
1 1 1  -29    3   62 o  158.887   5.3914  172.329   11.599  173.851   16.780  170.937   16.051  159.536   7.7615  158.238   7.4852 1.297913 10.78284 
1 1 1  -29    3   63 o  153.789   5.3891  161.667   11.223  159.501   16.111  163.708   15.643  152.761   7.7827  154.817   7.4564 -2.056396 10.77815 
1 1 1  -29    3   64 o  297.384   6.5346  610.387   24.843  597.310   42.673  617.092   30.556  294.298   10.700  300.471   7.5042 -6.173523 13.06916 
1 1 1  -29    3   65 o  176.722   6.3007  212.436   14.279  220.616   24.740  208.350   17.485  178.887   10.206  174.557   7.3917 4.329483 12.60135 
1 1 1  -29    3   66 o  212.921   5.1861  310.364   14.939  288.290   21.032  332.839   21.222  205.210   7.5631  220.631   7.0981 -15.42119 10.37225 
1 1 1  -29    3   67 o  185.638   6.8716  240.703   15.750  230.595   28.648  245.081   18.854  182.090   11.610  189.186   7.3543 -7.095795 13.74317 
1 1 1  -29    3   68 o  124.734   5.9628  107.022   10.070  106.735   14.546  107.285   13.953  124.532   8.6197  124.936   8.2414 -0.4037552 11.92555 
1 1 1  -29    3   69 f  191.363   5.2029  251.163   13.491  254.483   19.259  247.965   18.904  192.598   7.3789  190.129   7.3369 2.468964 10.40572 
1 1 1  -29    3   70 o  237.843   6.6980  400.832   19.955  417.167   24.315  367.127   34.927  246.504   7.2788  229.182   11.246 17.32251 13.39606 
1 1 1  -29    3   71 o  105.728   6.0929   77.289   8.7207   81.642   12.384   73.007   12.282  108.732   8.4048  102.723   8.8233 6.009209 12.18571 
1 1 1  -29    3   72 o  153.748   5.3194  162.841   11.083  163.488   15.701  162.198   15.646  154.053   7.5212  153.443   7.5243 0.6103973 10.63879 
1 1 1  -29    3   73 o   80.949   6.9599   45.791   7.6270   43.245   10.738   48.383   10.835   78.618   10.079   83.280   9.6012 -4.661598 13.91982 
1 1 1  -29    3   74 o  134.909   5.4155  125.873   9.8956  121.180   13.978  130.589   14.012  132.339   7.7940  137.479   7.5208 -5.139923 10.83095 
1 1 1  -29    3   75 o   73.370   7.2933   38.114   7.1966   43.223   10.165   32.980   10.190   78.524   9.5526   68.215   11.023 10.30877 14.58657 
1 1 1  -29    3   76 o   70.183   9.0732   37.969   8.0012   43.381   10.226   29.426   12.848   78.541   9.6084   61.826   15.394 16.71432 18.14631 
1 1 1  -29    3   77 o  108.283   6.6393   81.435   9.4535   78.033   11.902   87.253   15.561  105.703   8.3087  110.862   10.358 -5.158295 13.27866 
1 1 1  -29    3   78 o   58.879   10.830   27.036   8.7175   28.012   12.606   26.141   12.069   59.849   15.441   57.910   15.190 1.938835 21.65990 
1 1 1  -29    3   79 o   74.597   9.5945   41.948   9.4640   39.215   13.608   44.508   13.171   71.241   14.587   77.953   12.468 -6.712494 19.18905 
1 1 1  -29    3   80 o   69.372   9.9540   36.590   9.1932   46.977   13.493   27.590   12.560   79.866   12.467   58.878   15.521 20.98781 19.90802 
1 1 1  -29    3   81 o   55.862   15.266   24.923   11.885   0.0000   0.0000   24.923   11.885  ?   ?    55.862   15.266      ?      ? 
1 1 1  -29    3   82 o   39.638   15.122   10.201   11.289   0.0000   0.0000   10.201   11.289  ?   ?    39.638   15.122      ?      ? 
1 1 1  -29    4    1 o  438.087   5.9283  1305.55   35.183  1283.40   50.105  1327.09   49.415  434.397   8.5116  441.778   8.2541 -7.381470 11.85658 
1 1 1  -29    4    2 o  281.256   4.7903  535.128   18.210  565.734   26.976  509.509   24.681  288.602   6.8976  273.910   6.6492 14.69260 9.580671 
1 1 1  -29    4    3 o  568.747   10.136  2203.16   78.118  2203.16   78.118   0.0000   0.0000  568.747   10.136  ?   ?       ?      ? 
1 1 1  -29    4    4 o  535.921   9.7375  1955.29   70.718  1955.29   70.718   0.0000   0.0000  535.921   9.7375  ?   ?       ?      ? 
1 1 1  -29    4    5 o  368.960   5.4030  923.841   26.987  950.743   39.246  899.711   37.170  374.035   7.7429  363.886   7.5378 10.14880 10.80603 
1 1 1  -29    4    6 o  406.373   6.5313  1150.85   31.817  1184.15   37.455  1064.53   60.304  417.602   6.6185  395.145   11.262 22.45627 13.06264 
1 1 1  -29    4    7 o  495.421   7.3537  1661.01   42.956  1650.02   49.654  1693.70   85.641  492.817   7.4351  498.025   12.690 -5.207947 14.70739 
1 1 1  -29    4    8 o  501.111   7.4431  1720.19   44.281  1730.76   51.535  1690.36   86.555  504.719   7.5348  497.504   12.838 7.215454 14.88625 
1 1 1  -29    4    9 o  396.836   6.4279  1087.39   30.511  1106.35   35.760  1036.64   58.504  403.670   6.5371  390.003   11.070 13.66644 12.85583 
1 1 1  -29    4   10 o  291.368   5.5616  588.818   19.522  603.719   23.022  550.681   36.831  298.268   5.6957  284.468   9.5543 13.79980 11.12321 
1 1 1  -29    4   11 o  426.429   7.1493  1244.82   39.531  1261.89   49.398  1214.42   65.922  430.824   8.4612  422.034   11.527 8.790894 14.29869 
1 1 1  -29    4   12 o  454.672   7.4283  1408.26   43.634  1408.84   54.102  1407.16   73.802  455.165   8.7713  454.180   11.991 0.9843140 14.85670 
1 1 1  -29    4   13 o  313.577   5.8092  691.805   21.990  722.914   26.110  615.886   40.788  326.371   5.9034  300.783   10.007 25.58771 11.61841 
1 1 1  -29    4   14 o  325.667   5.8541  738.621   22.984  761.135   27.156  681.761   43.156  334.880   5.9840  316.453   10.063 18.42743 11.70818 
1 1 1  -29    4   15 o  318.681   5.8084  707.814   22.343  730.366   26.428  651.306   41.834  328.045   5.9450  309.316   9.9803 18.72906 11.61680 
1 1 1  -29    4   16 o  319.364   5.7666  697.864   22.147  703.383   25.970  683.148   42.408  321.927   5.9529  316.801   9.8781 5.126312 11.53316 
1 1 1  -29    4   17 o  463.403   7.1248  1485.53   39.671  1514.18   46.641  1410.59   75.438  472.138   7.2898  454.669   12.244 17.46902 14.24957 
1 1 1  -29    4   18 o  424.423   7.1158  1217.31   38.847  1198.02   47.741  1255.12   66.829  419.791   8.3922  429.056   11.494 -9.264832 14.23164 
1 1 1  -29    4   19 o  299.467   7.0186  608.142   28.428  567.671   38.833  654.875   41.729  288.774   9.9234  310.161   9.9282 -21.38763 14.03721 
1 1 1  -29    4   20 o  417.204   8.2349  1185.80   46.533  1148.83   64.538  1225.83   67.154  410.447   11.603  423.960   11.689 -13.51282 16.46988 
1 1 1  -29    4   21 o  511.961   6.6166  1782.51   45.889  1817.22   65.950  1749.94   63.893  516.776   9.4174  507.146   9.2969 9.629852 13.23325 
1 1 1  -29    4   22 o  493.445   6.4478  1656.16   43.109  1672.42   61.615  1640.57   60.336  495.806   9.1705  491.085   9.0664 4.721680 12.89561 
1 1 1  -29    4   23 o  419.979   5.8325  1198.99   33.191  1205.81   47.344  1192.40   46.544  421.145   8.2957  418.813   8.2008 2.332153 11.66500 
1 1 1  -29    4   24 o  365.597   5.4127  908.274   26.812  908.064   38.244  908.477   37.601  365.546   7.7204  365.647   7.5884 -0.1013489 10.82542 
1 1 1  -29    4   25 o  540.205   6.8852  1985.36   50.384  2033.70   72.504  1940.21   70.066  546.547   9.7893  533.864   9.6848 12.68402 13.77049 
1 1 1  -29    4   26 o  571.186   7.1731  2221.42   55.511  2256.97   79.469  2187.54   77.575  575.635   10.187  566.736   10.101 8.898682 14.34614 
1 1 1  -29    4   27 o  280.641   4.8849  534.229   18.564  553.845   26.902  516.397   25.649  285.548   6.9521  275.734   6.8643 9.813934 9.769886 
1 1 1  -29    4   28 o  444.449   6.0599  1343.31   36.492  1310.56   51.263  1376.95   51.960  438.949   8.6180  449.949   8.5217 -11.00015 12.11972 
1 1 1  -29    4   29 o  310.362   5.0829  654.118   21.369  665.688   30.749  643.310   29.719  313.008   7.2494  307.717   7.1268 5.291595 10.16585 
1 1 1  -29    4   30 o  185.852   4.6613  234.946   11.722  224.503   16.785  244.886   16.377  181.800   6.8129  189.904   6.3637 -8.103867 9.322659 
1 1 1  -29    4   31 o  146.240   5.9701  146.180   10.905  143.624   19.613  147.324   13.119  145.198   9.9679  147.281   6.5732 -2.083374 11.94012 
1 1 1  -29    4   32 o  437.679   7.4152  1295.83   41.096  1334.26   72.902  1277.93   49.754  441.937   12.173  433.422   8.4711 8.514923 14.83039 
1 1 1  -29    4   33 o  387.853   5.6557  1021.63   29.705  1058.82   43.013  987.729   41.071  394.584   8.0442  381.123   7.9523 13.46069 11.31139 
1 1 1  -29    4   34 o  386.529   5.6630  1015.14   29.649  1048.16   42.729  984.490   41.174  392.580   8.0318  380.479   7.9856 12.10156 11.32605 
1 1 1  -29    4   35 o  350.119   5.4114  833.483   25.672  818.248   36.257  848.799   36.354  346.901   7.7127  353.337   7.5925 -6.435944 10.82271 
1 1 1  -29    4   36 o  129.525   5.1084  114.358   8.9397  106.054   12.789  122.293   12.501  124.894   7.5563  134.155   6.8765 -9.260902 10.21681 
1 1 1  -29    4   37 o  116.975   5.3080   92.903   8.4081   97.203   12.153   88.955   11.645  119.568   7.5006  114.382   7.5126 5.185822 10.61592 
1 1 1  -29    4   38 o  246.003   7.0092  411.313   23.366  411.313   23.366   0.0000   0.0000  246.003   7.0092  ?   ?       ?      ? 
1 1 1  -29    4   39 o  231.330   5.8819  367.693   17.680  377.037   22.220  351.571   29.187  235.527   6.9617  227.133   9.4826 8.394043 11.76372 
1 1 1  -29    4   40 f  133.883   5.1610  121.502   9.3492  129.556   13.674  114.432   12.812  138.036   7.3100  129.730   7.2875 8.305710 10.32201 
1 1 1  -29    4   41 o  263.141   4.9892  470.545   17.784  477.392   25.573  464.133   24.749  264.986   7.1215  261.296   6.9895 3.689575 9.978373 
1 1 1  -29    4   42 o  326.976   5.3272  726.625   23.594  746.987   34.017  707.750   32.751  331.379   7.5752  322.573   7.4923 8.806580 10.65449 
1 1 1  -29    4   43 o  284.009   5.1149  548.454   19.679  552.026   28.233  545.079   27.445  284.897   7.3129  283.122   7.1534 1.775513 10.22983 
1 1 1  -29    4   44 o  282.964   5.1386  544.444   19.698  550.054   28.262  539.145   27.469  284.371   7.3339  281.557   7.1995 2.814087 10.27710 
1 1 1  -29    4   45 o  171.348   5.0168  199.064   11.631  212.449   17.004  187.292   15.945  176.744   7.0993  165.951   7.0903 10.79326 10.03355 
1 1 1  -29    4   46 o  191.816   6.2148  252.731   15.139  245.009   26.304  256.556   18.513  189.408   10.248  194.225   7.0339 -4.816818 12.42957 
1 1 1  -29    4   47 o  309.644   7.4136  654.716   31.040  661.904   45.537  648.477   42.422  311.150   10.800  308.137   10.159 3.013397 14.82718 
1 1 1  -29    4   48 o  194.885   6.3140  253.296   15.441  273.970   28.173  244.419   18.461  200.229   10.383  189.541   7.1873 10.68770 12.62792 
1 1 1  -29    4   49 o  521.925   8.5259  1890.89   57.109  1792.18   96.503  1944.09   70.847  510.276   13.956  533.574   9.7982 -23.29745 17.05187 
1 1 1  -29    4   50 o  423.344   6.1342  1220.77   35.172  1256.80   50.793  1187.58   48.750  429.322   8.7305  417.366   8.6194 11.95657 12.26846 
1 1 1  -29    4   51 o  160.871   7.3544  176.159   16.033   0.0000   0.0000  176.159   16.033  ?   ?   160.871   7.3544      ?      ? 
1 1 1  -29    4   52 o  583.748   7.4636  2330.73   59.030  2367.44   84.519  2295.76   82.480  588.209   10.603  579.287   10.507 8.922546 14.92720 
1 1 1  -29    4   53 o  483.749   6.5931  1597.10   43.206  1635.81   62.094  1560.78   60.157  489.411   9.3625  478.087   9.2853 11.32431 13.18612 
1 1 1  -29    4   54 o  260.767   5.1935  462.894   18.349  472.512   26.267  453.729   25.642  263.409   7.3587  258.126   7.3306 5.283569 10.38698 
1 1 1  -29    4   55 o  328.211   6.8828  745.295   28.776  763.075   35.382  710.556   49.457  334.598   7.8033  321.825   11.340 12.77307 13.76560 
1 1 1  -29    4   56 o  241.148   5.1386  395.962   16.788  403.559   24.090  388.790   23.407  243.389   7.3040  238.907   7.2300 4.482208 10.27719 
1 1 1  -29    4   57 o  209.935   5.1076  299.829   14.519  315.531   20.988  285.417   20.107  215.203   7.1967  204.668   7.2497 10.53514 10.21517 
1 1 1  -29    4   58 o  145.333   5.4658  143.814   10.755  151.348   15.595  136.981   14.852  148.956   7.7257  141.710   7.7340 7.246948 10.93170 
1 1 1  -29    4   59 o  182.634   6.1273  231.527   14.653  243.049   18.747  213.437   23.491  188.794   7.3274  176.474   9.8227 12.32007 12.25464 
1 1 1  -29    4   60 o  162.114   6.1911  178.882   13.224  175.945   16.776  183.701   21.489  160.540   7.7113  163.688   9.6877 -3.147552 12.38211 
1 1 1  -29    4   61 o  149.814   5.4379  152.796   11.007  170.407   16.027  137.074   15.143  157.989   7.4858  141.638   7.8896 16.35130 10.87576 
1 1 1  -29    4   62 o  139.727   5.5568  133.846   10.482  121.085   14.870  146.452   14.779  133.025   8.2488  146.430   7.4479 -13.40460 11.11370 
1 1 1  -29    4   63 o   62.787   9.3321   28.534   7.6940   24.340   10.935   32.647   10.828   57.927   14.070   67.646   12.264 -9.719528 18.66417 
1 1 1  -29    4   64 o  187.736   6.1910  241.972   14.888  241.593   25.607  242.165   18.298  187.232   10.092  188.239   7.1733 -1.006866 12.38202 
1 1 1  -29    4   65 o  245.528   7.2547  412.359   24.138   0.0000   0.0000  412.359   24.138  ?   ?   245.528   7.2547      ?      ? 
1 1 1  -29    4   66 o  164.696   6.8921  187.585   13.981  186.244   25.777  188.145   16.641  163.644   11.624  165.749   7.4087 -2.104782 13.78417 
1 1 1  -29    4   67 o  166.718   5.3407  190.279   12.056  198.897   17.494  182.484   16.637  170.300   7.5802  163.137   7.5257 7.163971 10.68149 
1 1 1  -29    4   68 o  147.479   5.4407  148.709   10.848  162.676   15.928  136.625   14.816  153.924   7.6360  141.034   7.7521 12.89067 10.88134 
1 1 1  -29    4   69 o  110.932   6.1205   85.257   9.1632   78.556   13.173   91.539   12.755  106.580   9.1205  115.283   8.1644 -8.702248 12.24095 
1 1 1  -29    4   70 f  172.176   6.8467  212.095   14.755  223.702   18.047  188.692   25.625  180.383   7.3830  163.969   11.533 16.41429 13.69346 
1 1 1  -29    4   71 o  109.038   6.1324   82.560   9.0344   77.532   12.995   87.264   12.568  105.705   9.0722  112.371   8.2536 -6.666176 12.26482 
1 1 1  -29    4   72 o   92.196   6.4941   59.202   8.1036   57.156   11.607   61.148   11.319   90.567   9.4570   93.824   8.9026 -3.256393 12.98810 
1 1 1  -29    4   73 o   70.694   7.6429   35.189   7.3175   36.847   10.530   33.640   10.176   72.319   10.745   69.069   10.872 3.249756 15.28571 
1 1 1  -29    4   74 o   74.079   7.4365   38.662   7.4430   42.869   10.738   34.772   10.326   78.052   10.152   70.106   10.869 7.946793 14.87295 
1 1 1  -29    4   75 o  151.474   6.1887  160.492   12.282  161.135   15.543  159.421   20.043  152.475   7.5222  150.473   9.8294 2.001633 12.37742 
1 1 1  -29    4   76 o  165.172   5.9854  187.871   12.943  180.176   16.187  201.513   21.552  161.138   7.4129  169.206   9.3993 -8.067886 11.97070 
1 1 1  -29    4   77 o  126.648   6.5304  114.804   10.748  119.942   13.618  106.318   17.501  131.234   7.6577  122.062   10.580 9.171539 13.06076 
1 1 1  -29    4   78 o  148.381   7.1000  156.579   14.262  164.408   20.741  149.557   19.642  151.865   10.078  144.896   10.004 6.968414 14.20004 
1 1 1  -29    4   79 o  118.667   7.6753  101.051   12.215  121.951   17.938   82.981   16.680  130.508   10.143  106.826   11.522 23.68302 15.35065 
1 1 1  -29    4   80 o  178.400   9.8180  227.875   23.736   0.0000   0.0000  227.875   23.736  ?   ?   178.400   9.8180      ?      ? 
1 1 1  -29    4   81 f   88.487   11.923   57.758   14.297   0.0000   0.0000   57.758   14.297  ?   ?    88.487   11.923      ?      ? 
1 1 1  -29    5    1 o  355.684   6.4582  860.460   29.802  858.654   37.115  863.737   50.002  355.397   7.7063  355.972   10.366 -0.5746155 12.91633 
1 1 1  -29    5    2 o  315.951   5.0527  679.745   21.572  655.102   31.365  701.867   29.717  310.466   7.4550  321.436   6.8222 -10.97006 10.10548 
1 1 1  -29    5    3 o  225.486   5.6861  342.077   15.696  354.208   29.608  337.335   18.512  228.072   9.5797  222.900   6.1285 5.171158 11.37228 
1 1 1  -29    5    4 o  352.015   6.5309  826.008   28.605  887.451   52.924  800.651   33.999  360.771   10.825  343.259   7.3090 17.51154 13.06172 
1 1 1  -29    5    5 o  360.505   6.3908  883.818   29.737  882.448   36.811  886.392   50.449  360.340   7.5385  360.669   10.322 -0.3292236 12.78165 
1 1 1  -29    5    6 o  385.026   6.6390  1008.45   32.974  1006.91   40.794  1011.34   56.005  384.876   7.8216  385.176   10.730 -0.2996521 13.27797 
1 1 1  -29    5    7 o  524.813   8.1644  1895.16   55.357  1933.98   69.011  1825.10   92.706  532.986   9.5547  516.639   13.242 16.34711 16.32884 
1 1 1  -29    5    8 o  542.446   14.063  2014.17  103.378  2014.17  103.378   0.0000   0.0000  542.446   14.063  ?   ?       ?      ? 
1 1 1  -29    5    9 o  461.874   8.7346  1451.12   54.670  1451.12   54.670   0.0000   0.0000  461.874   8.7346  ?   ?       ?      ? 
1 1 1  -29    5   10 o  345.036   6.3078  816.719   28.228  834.201   35.357  785.989   46.877  350.383   7.4464  339.689   10.183 10.69391 12.61556 
1 1 1  -29    5   11 o  362.841   6.4588  897.279   30.338  900.762   37.738  890.916   51.010  364.067   7.6492  361.614   10.409 2.453125 12.91762 
1 1 1  -29    5   12 o  530.002   8.2202  1914.52   56.021  1910.49   69.059  1922.27   95.800  529.758   9.6197  530.247   13.332 -0.4896240 16.44039 
1 1 1  -29    5   13 o  339.031   6.3555  793.431   28.194  829.848   35.984  735.523   45.376  349.452   7.5986  328.611   10.190 20.84189 12.71097 
1 1 1  -29    5   14 o  311.970   6.1020  668.643   24.906  689.146   31.639  635.235   40.387  318.485   7.3308  305.454   9.7570 13.03055 12.20402 
1 1 1  -29    5   15 o  315.345   5.7065  681.974   21.743  689.368   25.587  662.765   41.243  318.686   5.9248  312.003   9.7546 6.682953 11.41292 
1 1 1  -29    5   16 o  345.219   6.0181  827.136   25.132  848.672   29.718  773.069   47.088  353.566   6.2026  336.872   10.315 16.69434 12.03615 
1 1 1  -29    5   17 o  540.617   7.8847  1998.89   50.726  2005.63   59.074  1979.99   98.977  543.174   8.0255  538.061   13.574 5.113770 15.76938 
1 1 1  -29    5   18 o  368.102   6.2332  941.194   27.756  966.377   32.828  878.067   51.976  377.260   6.4213  358.944   10.685 18.31595 12.46647 
1 1 1  -29    5   19 f  344.435   5.9976  817.879   24.956  831.788   29.415  782.143   47.147  350.028   6.2012  338.842   10.268 11.18570 11.99513 
1 1 1  -29    5   20 o  460.917   7.2134  1443.31   45.055  1443.31   45.055   0.0000   0.0000  460.917   7.2134  ?   ?       ?      ? 
1 1 1  -29    5   21 o  548.134   8.5546  2040.55   59.687  2020.37   72.689  2082.32  104.577  544.692   9.8477  551.576   13.991 -6.884460 17.10925 
1 1 1  -29    5   22 o  530.984   6.7901  1918.69   48.845  1954.85   70.114  1884.60   68.085  535.828   9.6559  526.140   9.5492 9.687683 13.58026 
1 1 1  -29    5   23 o  387.154   5.5738  1018.17   29.229  1042.39   42.137  995.715   40.578  391.579   7.9408  382.729   7.8238 8.849335 11.14759 
1 1 1  -29    5   24 o  361.913   5.3898  888.776   26.409  924.432   38.366  856.667   36.408  368.792   7.6769  355.033   7.5673 13.75845 10.77953 
1 1 1  -29    5   25 o  342.009   5.2543  794.742   24.346  801.701   34.888  788.136   33.991  343.459   7.4957  340.558   7.3652 2.900513 10.50869 
1 1 1  -29    5   26 o  215.923   4.6256  316.578   13.524  318.118   19.532  315.160   18.746  216.418   6.6598  215.428   6.4212 0.9901428 9.251185 
1 1 1  -29    5   27 o  323.828   5.1468  712.596   22.579  712.810   32.327  712.392   31.551  323.864   7.3658  323.791   7.1907 0.7235718E-01 10.29370 
1 1 1  -29    5   28 o  359.525   5.3988  877.709   26.286  904.810   38.023  852.899   36.380  364.826   7.6909  354.223   7.5788 10.60321 10.79759 
1 1 1  -29    5   29 o  309.992   5.0971  653.070   21.410  649.044   30.416  657.024   30.142  309.039   7.2629  310.947   7.1534 -1.907990 10.19411 
1 1 1  -29    5   30 o  277.744   4.9229  523.739   18.521  538.155   26.674  510.319   25.736  281.428   6.9941  274.060   6.9298 7.368073 9.845765 
1 1 1  -29    5   31 o  565.666   7.1630  2180.48   54.899  2211.95   78.543  2150.42   76.765  569.640   10.175  561.692   10.085 7.948547 14.32605 
1 1 1  -29    5   32 o  485.879   7.9468  1610.39   49.085  1615.13   85.851  1608.08   59.829  485.783   13.041  485.976   9.0847 -0.1932983 15.89360 
1 1 1  -29    5   33 o  356.657   6.7313  870.858   30.499  854.309   53.124  878.994   37.250  353.772   11.081  359.542   7.6452 -5.770081 13.46263 
1 1 1  -29    5   34 o  128.895   5.9367  114.067   10.169  118.716   13.303  107.534   15.771  132.142   7.4292  125.647   9.2621 6.495201 11.87347 
1 1 1  -29    5   35 o  284.557   6.0343  555.416   22.398  567.501   28.265  535.019   36.721  288.934   7.2189  280.180   9.6715 8.753510 12.06857 
1 1 1  -29    5   36 o  286.181   5.9981  555.750   22.346  551.300   27.908  563.699   37.302  284.769   7.2320  287.593   9.5712 -2.824463 11.99621 
1 1 1  -29    5   37 o  238.820   4.8793  387.073   15.776  400.347   22.938  375.160   21.731  242.691   6.9746  234.949   6.8253 7.742584 9.758578 
1 1 1  -29    5   38 o  290.837   6.3781  574.333   23.594  570.743   28.735  581.761   41.335  289.715   7.3192  291.960   10.447 -2.245239 12.75616 
1 1 1  -29    5   39 o  424.278   7.4487  1225.28   40.166  1218.48   48.895  1239.38   70.432  423.021   8.5295  425.534   12.214 -2.513306 14.89740 
1 1 1  -29    5   40 o  377.216   5.6494  968.378   28.875  969.585   41.167  967.210   40.512  377.435   8.0487  376.997   7.9299 0.4378967 11.29887 
1 1 1  -29    5   41 o  179.920   4.9330  220.342   12.012  208.476   17.054  232.025   16.921  175.088   7.1875  184.752   6.7586 -9.663620 9.866010 
1 1 1  -29    5   42 o  316.049   7.3595  679.866   31.425  709.944   46.645  654.869   42.523  322.364   10.678  309.734   10.131 12.62930 14.71903 
1 1 1  -29    5   43 o  287.691   6.3392  560.920   23.087  573.173   40.902  555.191   27.968  289.685   10.419  285.698   7.2238 3.987732 12.67838 
1 1 1  -29    5   44 o  116.539   7.2473   96.576   10.274   83.793   18.661  102.137   12.308  110.557   12.455  122.521   7.4129 -11.96390 14.49450 
1 1 1  -29    5   45 o  230.965   6.1637  363.425   17.947  363.987   31.885  363.164   21.713  230.848   10.192  231.083   6.9339 -0.2349548 12.32743 
1 1 1  -29    5   46 o  237.956   5.0364  383.928   16.214  410.524   23.743  360.690   22.194  245.651   7.1325  230.261   7.1127 15.38962 10.07283 
1 1 1  -29    5   47 o  177.886   5.3080  216.412   12.734  199.465   18.424  231.909   17.619  171.139   7.9443  184.634   7.0418 -13.49498 10.61596 
1 1 1  -29    5   48 o  242.933   5.1637  402.283   16.971  385.381   24.351  418.247   23.666  237.926   7.5525  247.941   7.0437 -10.01408 10.32730 
1 1 1  -29    5   49 o  244.002   6.1689  395.589   18.965  434.231   34.456  378.795   22.715  252.066   10.087  235.937   7.1046 16.12914 12.33786 
1 1 1  -29    5   50 o  275.186   5.1821  514.570   19.305  536.701   28.083  494.741   26.582  280.776   7.3808  269.595   7.2760 11.18109 10.36423 
1 1 1  -29    5   51 o  276.814   5.1861  521.645   19.448  523.810   27.881  519.593   27.141  277.358   7.4180  276.270   7.2497 1.088348 10.37229 
1 1 1  -29    5   52 o  184.459   5.1175  230.737   12.766  248.684   18.756  215.246   17.426  191.115   7.2422  177.804   7.2322 13.31113 10.23495 
1 1 1  -29    5   53 o  175.849   5.1435  210.208   12.245  219.839   17.791  201.538   16.880  179.665   7.3071  172.033   7.2408 7.632660 10.28701 
1 1 1  -29    5   54 o   92.774   6.8312   58.711   8.5735   63.731   12.451   54.185   11.823   96.548   9.5169   88.999   9.8026 7.548248 13.66248 
1 1 1  -29    5   55 o  250.518   6.5150  428.148   20.632  426.618   25.009  431.410   36.510  250.214   7.3756  250.822   10.741 -0.6078644 13.02991 
1 1 1  -29    5   56 o  286.518   5.2904  559.764   20.536  548.432   29.121  570.974   28.966  283.610   7.5770  289.426   7.3852 -5.815186 10.58075 
1 1 1  -29    5   57 o  199.728   6.0231  270.836   15.786  265.798   19.889  279.415   25.951  197.432   7.4337  202.025   9.4791 -4.593353 12.04626 
1 1 1  -29    5   58 o  161.930   6.1064  162.306   12.749  120.614   15.498  249.562   22.421  132.819   8.6108  191.042   8.6605 -58.22278 12.21272 
1 1 1  -29    5   59 o  243.044   5.1742  403.259   17.031  393.509   24.303  412.668   23.875  240.120   7.4688  245.967   7.1628 -5.847214 10.34835 
1 1 1  -29    5   60 o  306.233   5.3968  640.661   22.391  635.135   31.912  646.020   31.426  304.902   7.7234  307.563   7.5400 -2.661255 10.79365 
1 1 1  -29    5   61 o  239.289   5.1592  391.119   16.720  389.010   24.025  393.100   23.284  238.628   7.4294  239.949   7.1605 -1.321121 10.31837 
1 1 1  -29    5   62 o   85.160   7.2789   50.877   8.2222   40.137   11.854   60.838   11.415   76.165   11.484   94.155   8.9463 -17.99001 14.55777 
1 1 1  -29    5   63 o  103.281   6.2853   73.427   8.7693   70.701   12.770   75.860   12.064  101.398   9.2931  105.164   8.4651 -3.765572 12.57062 
1 1 1  -29    5   64 o  115.615   8.0953   91.669   12.683   0.0000   0.0000   91.669   12.683  ?   ?   115.615   8.0953      ?      ? 
1 1 1  -29    5   65 o   80.021   10.648   41.890   9.6339   54.876   20.671   38.286   10.889   85.736   18.346   74.306   10.814 11.42956 21.29548 
1 1 1  -29    5   66 o  109.151   6.2121   82.133   9.1673   81.082   13.378   83.063   12.587  108.426   9.1051  109.877   8.4532 -1.450134 12.42420 
1 1 1  -29    5   67 o   93.085   6.6581   59.540   8.3454   69.740   12.300   50.838   11.360  100.502   9.0310   85.669   9.7857 14.83354 13.31614 
1 1 1  -29    5   68 o  197.691   5.1553  268.088   13.802  275.658   19.962  261.154   19.104  200.340   7.3528  195.042   7.2280 5.297440 10.31058 
1 1 1  -29    5   69 o  202.961   6.5528  283.917   16.789  280.865   20.305  290.514   29.851  202.085   7.4144  203.837   10.807 -1.752670 13.10561 
1 1 1  -29    5   70 o  204.056   6.5357  284.707   16.829  276.929   20.268  301.971   30.198  200.519   7.4587  207.593   10.734 -7.073975 13.07134 
1 1 1  -29    5   71 o  159.368   5.2858  175.259   11.410  169.721   16.191  180.721   16.081  156.811   7.6194  161.924   7.3284 -5.113022 10.57169 
1 1 1  -29    5   72 o   66.564   8.4605   32.423   7.3601   25.997   10.537   38.547   10.286   59.044   13.467   74.084   10.245 -15.03976 16.92103 
1 1 1  -29    5   73 o  104.806   5.9754   76.371   8.4734   82.369   12.158   70.706   11.816  108.872   8.2405  100.740   8.6554 8.131599 11.95082 
1 1 1  -29    5   74 o  138.150   6.2858  134.188   11.415  136.579   14.572  130.391   18.366  140.305   7.6639  135.995   9.9655 4.310013 12.57163 
1 1 1  -29    5   75 o   62.993   9.3534   30.060   7.6104   31.100   9.8645   28.530   11.962   65.020   11.622   60.966   14.659 4.054756 18.70686 
1 1 1  -29    5   76 o  118.113   6.4020   96.710   10.055   90.786   12.872  105.985   16.106  113.880   8.3411  122.346   9.7142 -8.466202 12.80392 
1 1 1  -29    5   77 o  149.371   7.0627  158.104   14.258  171.726   21.093  146.642   19.349  155.237   10.027  143.506   9.9494 11.73065 14.12545 
1 1 1  -29    5   78 o  153.000   7.0818  167.238   14.661  170.190   21.398  164.626   20.128  154.083   10.248  151.917   9.7769 2.165527 14.16353 
1 1 1  -29    5   79 o   79.495   12.189   46.562   13.131   0.0000   0.0000   46.562   13.131  ?   ?    79.495   12.189      ?      ? 
1 1 1  -29    5   80 o  138.136   9.8699  137.143   18.476   0.0000   0.0000  137.143   18.476  ?   ?   138.136   9.8699      ?      ? 
1 1 1  -29    5   81 o   85.032   11.596   53.319   13.362   0.0000   0.0000   53.319   13.362  ?   ?    85.032   11.596      ?      ? 
1 1 1  -29    6    1 f  290.292   4.8117  573.768   18.864  556.400   27.600  588.993   25.842  286.123   7.1184  294.462   6.4761 -8.338593 9.623451 
1 1 1  -29    6    2 o  315.283   4.9856  676.287   21.246  664.052   31.023  687.095   29.158  312.557   7.3243  318.009   6.7660 -5.451294 9.971182 
1 1 1  -29    6    3 o  260.828   5.8164  465.781   19.714  473.612   24.720  452.099   32.675  264.012   6.9093  257.644   9.3585 6.367920 11.63271 
1 1 1  -29    6    4 o  260.614   5.4281  460.994   19.170  460.994   19.170   0.0000   0.0000  260.614   5.4281  ?   ?       ?      ? 
1 1 1  -29    6    5 o  224.008   4.9970  347.885   13.698  357.628   16.325  324.709   25.179  229.559   5.2477  218.456   8.5054 11.10229 9.993977 
1 1 1  -29    6    6 f  287.557   5.3822  566.154   18.773  571.264   22.135  553.058   35.434  290.100   5.6304  285.013   9.1744 5.087311 10.76436 
1 1 1  -29    6    7 o  258.269   5.2196  461.664   16.460  473.111   19.571  433.996   30.426  264.020   5.4702  252.519   8.8913 11.50111 10.43923 
1 1 1  -29    6    8 o  316.596   5.6669  694.965   21.797  712.749   25.841  651.106   40.582  324.017   5.8852  309.174   9.6860 14.84305 11.33372 
1 1 1  -29    6    9 o  353.173   5.9856  862.505   25.595  880.477   30.241  817.117   48.059  360.094   6.1972  346.252   10.242 13.84164 11.97128 
1 1 1  -29    6   10 o  426.258   6.6634  1251.14   34.147  1267.95   40.097  1206.76   65.144  432.024   6.8490  420.492   11.432 11.53198 13.32687 
1 1 1  -29    6   11 o  318.818   5.6952  698.976   22.018  708.949   25.992  673.634   41.431  323.152   5.9353  314.484   9.7218 8.667755 11.39041 
1 1 1  -29    6   12 o  188.139   4.9914  243.351   11.603  247.607   13.880  233.478   21.141  191.011   5.3622  185.266   8.4205 5.745346 9.982886 
1 1 1  -29    6   13 o  345.226   7.6749  810.159   35.905  810.159   35.905   0.0000   0.0000  345.226   7.6749  ?   ?       ?      ? 
1 1 1  -29    6   14 o  527.613   7.8851  1892.65   56.377  1892.65   56.377   0.0000   0.0000  527.613   7.8851  ?   ?       ?      ? 
1 1 1  -29    6   15 o  530.841   8.2752  1922.80   56.730  1920.60   70.292  1926.93   96.077  531.008   9.7684  530.673   13.360 0.3344116 16.55037 
1 1 1  -29    6   16 o  321.813   5.7902  714.437   22.625  727.653   26.761  681.318   42.364  327.378   6.0322  316.249   9.8852 11.12909 11.58034 
1 1 1  -29    6   17 o  186.490   5.0091  238.058   11.571  240.694   13.844  231.948   21.076  188.323   5.4247  184.658   8.4225 3.664948 10.01822 
1 1 1  -29    6   18 o  322.397   5.7925  717.668   22.683  731.814   26.844  682.350   42.415  328.311   6.0336  316.483   9.8898 11.82782 11.58500 
1 1 1  -29    6   19 f  429.386   6.7392  1261.18   34.748  1267.78   40.688  1243.39   66.789  431.978   6.9507  426.793   11.548 5.184113 13.47842 
1 1 1  -29    6   20 f  349.808   6.0354  842.492   25.609  855.368   30.246  809.891   48.128  354.911   6.2888  344.706   10.303 10.20511 12.07075 
1 1 1  -29    6   21 o  323.115   6.0661  708.870   26.561  708.870   26.561   0.0000   0.0000  323.115   6.0661  ?   ?       ?      ? 
1 1 1  -29    6   22 o  263.172   5.7367  470.158   20.459  470.158   20.459   0.0000   0.0000  263.172   5.7367  ?   ?       ?      ? 
1 1 1  -29    6   23 o  291.319   5.8653  571.420   22.133  557.819   27.368  597.130   37.627  286.519   7.0487  296.120   9.3767 -9.600708 11.73062 
1 1 1  -29    6   24 o  230.351   4.6551  360.150   14.524  369.071   20.947  351.891   20.156  233.092   6.6316  227.611   6.5347 5.481323 9.310231 
1 1 1  -29    6   25 o  255.465   4.7710  443.505   16.510  437.825   23.593  448.955   23.112  253.851   6.8583  257.080   6.6342 -3.229065 9.541967 
1 1 1  -29    6   26 f  262.649   4.8141  468.801   17.127  464.736   24.529  472.669   23.925  261.525   6.9212  263.772   6.6932 -2.246552 9.628146 
1 1 1  -29    6   27 o  330.840   5.1994  743.970   23.305  746.552   33.358  741.509   32.572  331.390   7.4282  330.290   7.2772 1.099152 10.39881 
1 1 1  -29    6   28 o  288.043   4.9794  563.997   19.429  546.115   27.477  581.878   27.477  283.462   7.1531  292.624   6.9290 -9.161865 9.958830 
1 1 1  -29    6   29 o  243.965   5.7723  411.169   18.450  431.804   23.622  378.886   29.546  252.076   6.9151  235.854   9.2443 16.22173 11.54451 
1 1 1  -29    6   30 o  596.240   9.0832  2444.89   69.854  2471.63   86.713  2395.46  117.897  601.859   10.632  590.621   14.730 11.23822 18.16641 
1 1 1  -29    6   31 o  516.294   8.1515  1812.79   54.100  1794.68   66.547  1848.08   92.906  513.176   9.5693  519.411   13.199 -6.234375 16.30309 
1 1 1  -29    6   32 o  508.569   8.2901  1788.92   54.062  1701.03   91.633  1835.85   66.956  498.117   13.575  519.021   9.5197 -20.90396 16.58026 
1 1 1  -29    6   33 o  280.329   6.1957  527.823   21.797  554.448   39.505  516.170   26.135  285.089   10.226  275.568   6.9987 9.521362 12.39137 
1 1 1  -29    6   34 o  354.837   5.4533  856.645   26.217  845.793   37.301  867.239   36.856  352.599   7.8065  357.076   7.6166 -4.476746 10.90660 
1 1 1  -29    6   35 o  269.947   4.9827  495.663   18.216  485.968   26.056  504.932   25.478  267.345   7.1920  272.549   6.8981 -5.204346 9.965376 
1 1 1  -29    6   36 f  240.200   4.9058  389.525   15.913  433.709   23.621  352.814   21.531  252.589   6.9009  227.810   6.9745 24.77882 9.811560 
1 1 1  -29    6   37 o  511.280   8.1915  1805.00   54.345  1850.28   68.200  1726.24   89.948  520.871   9.6621  501.688   13.230 19.18286 16.38292 
1 1 1  -29    6   38 o  445.549   8.8635  1360.26   53.510  1376.21   75.440  1344.11   75.912  448.223   12.420  442.876   12.649 5.346863 17.72706 
1 1 1  -29    6   39 o  198.608   6.2088  265.609   15.677  259.839   19.014  277.855   27.702  195.463   7.1785  201.752   10.132 -6.289612 12.41758 
1 1 1  -29    6   40 o  170.509   6.2086  201.537   13.195  189.228   23.528  207.184   15.937  166.446   10.431  174.572   6.7366 -8.125519 12.41718 
1 1 1  -29    6   41 o  258.376   6.1295  454.382   20.042  456.357   35.379  453.449   24.322  258.529   10.098  258.224   6.9505 0.3047180 12.25910 
1 1 1  -29    6   42 o  233.605   6.0937  373.267   18.013  367.939   31.651  375.820   21.907  232.126   10.062  235.084   6.8767 -2.958466 12.18730 
1 1 1  -29    6   43 o   92.852   6.3558   57.906   7.9351   68.405   12.063   49.899   10.535  100.167   8.8872   85.538   9.0884 14.62830 12.71150 
1 1 1  -29    6   44 o  234.782   5.0240  375.270   15.964  369.306   23.065  380.754   22.118  232.963   7.3060  236.601   6.8982 -3.637833 10.04805 
1 1 1  -29    6   45 f  210.351   7.4073  301.157   21.115  301.157   21.115   0.0000   0.0000  210.351   7.4073  ?   ?       ?      ? 
1 1 1  -29    6   46 o  310.605   5.3371  656.477   22.446  664.725   32.485  648.942   31.051  312.446   7.6724  308.763   7.4210 3.682861 10.67411 
1 1 1  -29    6   47 o  211.389   4.9974  303.704   14.296  310.742   20.860  297.471   19.632  213.678   7.2040  209.100   6.9283 4.577866 9.994892 
1 1 1  -29    6   48 o  245.425   5.0869  410.590   16.892  393.530   24.216  426.761   23.576  240.414   7.4328  250.436   6.9469 -10.02159 10.17380 
1 1 1  -29    6   49 o  206.831   6.1319  286.514   15.994  306.315   28.840  277.720   19.220  211.656   10.055  202.005   7.0212 9.651703 12.26383 
1 1 1  -29    6   50 o  307.570   5.3403  644.299   22.243  646.598   32.077  642.169   30.871  308.070   7.6836  307.070   7.4187 0.9999695 10.68055 
1 1 1  -29    6   51 o  278.085   5.2194  526.863   19.659  522.039   28.182  531.435   27.437  276.818   7.5126  279.351   7.2477 -2.532654 10.43883 
1 1 1  -29    6   52 o  196.479   5.1326  263.188   13.650  256.927   19.637  269.041   18.987  194.186   7.4625  198.771   7.0489 -4.584518 10.26525 
1 1 1  -29    6   53 o  290.091   5.2977  573.597   20.819  571.118   29.783  575.966   29.114  289.455   7.5929  290.727   7.3898 -1.271912 10.59538 
1 1 1  -29    6   54 o  223.540   6.5222  337.625   18.407  330.617   22.194  353.068   32.945  220.229   7.4367  226.850   10.717 -6.620804 13.04434 
1 1 1  -29    6   55 o  257.802   7.4753  453.221   26.115  453.221   26.115   0.0000   0.0000  257.802   7.4753  ?   ?       ?      ? 
1 1 1  -29    6   56 o  144.203   6.4487  143.258   12.275  146.691   15.785  138.007   19.524  146.577   7.9471  141.830   10.158 4.746475 12.89742 
1 1 1  -29    6   57 o   93.056   6.7800   59.022   8.5240   65.336   12.595   53.687   11.578   97.629   9.5202   88.484   9.6560 9.145142 13.55995 
1 1 1  -29    6   58 o  211.725   5.1558  306.592   14.761  288.455   21.106  323.955   20.651  205.521   7.5783  217.928   6.9928 -12.40672 10.31168 
1 1 1  -29    6   59 o  316.403   5.4595  683.997   23.395  691.441   33.746  677.109   32.462  318.021   7.8304  314.786   7.6099 3.235138 10.91907 
1 1 1  -29    6   60 o  170.108   5.2823  198.082   12.153  191.856   17.565  203.800   16.834  167.486   7.7389  172.730   7.1916 -5.244461 10.56453 
1 1 1  -29    6   61 o  125.045   5.7698  107.517   9.7371  101.538   14.166  112.871   13.406  121.662   8.5922  128.428   7.7030 -6.765244 11.53961 
1 1 1  -29    6   62 o  181.871   6.6343  227.692   14.839  227.634   27.488  227.716   17.628  181.253   11.191  182.489   7.1283 -1.235748 13.26854 
1 1 1  -29    6   63 o  201.198   6.7604  282.471   16.623  271.223   30.779  287.103   19.751  197.554   11.497  204.842   7.1152 -7.288071 13.52073 
1 1 1  -29    6   64 o  137.223   6.6819  127.131   11.703  138.436   20.680  121.805   14.195  141.226   10.806  133.220   7.8632 8.006180 13.36381 
1 1 1  -29    6   65 o  227.555   5.1948  355.155   16.003  354.215   23.141  356.017   22.153  227.202   7.5161  227.907   7.1730 -0.7051849 10.38959 
1 1 1  -29    6   66 o  219.872   5.1681  331.287   15.377  341.352   22.469  322.421   21.090  222.959   7.4365  216.786   7.1789 6.172836 10.33627 
1 1 1  -29    6   67 f  111.959   6.0480   87.115   9.1122   77.515   13.111   96.084   12.673  105.804   9.1446  118.115   7.9176 -12.31119 12.09594 
1 1 1  -29    6   68 o  130.342   5.5274  117.106   9.7609  120.443   13.860  113.823   13.749  132.207   7.7359  128.477   7.8971 3.729843 11.05478 
1 1 1  -29    6   69 o  104.419   7.6648   67.556   10.067   53.813   11.839  103.427   19.127   87.792   9.9515  121.046   11.660 -33.25410 15.32953 
1 1 1  -29    6   70 o  110.466   5.8509   84.669   8.7369   91.689   12.385   77.715   12.327  115.128   7.9386  105.805   8.5971 9.322929 11.70176 
1 1 1  -29    6   71 o  145.054   5.3147  145.135   10.434  155.010   15.143  136.207   14.398  149.762   7.4615  140.345   7.5705 9.417465 10.62946 
1 1 1  -29    6   72 o  101.252   6.9493   70.967   9.2998   67.285   11.784   77.047   15.143   98.166   8.8582  104.337   10.710 -6.170700 13.89850 
1 1 1  -29    6   73 o   61.324   9.6388   28.428   7.6726   28.783   9.8676   27.885   12.202   62.383   12.109   60.265   15.000 2.118240 19.27763 
1 1 1  -29    6   74 o   45.949   10.225   14.709   7.1515   10.012   9.2369   21.738   11.300   38.777   13.874   53.122   15.025 -14.34496 20.45071 
1 1 1  -29    6   75 o   86.100   7.7790   54.937   8.6528   60.988   11.147   45.766   13.724   93.117   8.8341   79.082   12.807 14.03507 15.55801 
1 1 1  -29    6   76 o   92.019   7.2436   60.753   8.8149   61.646   11.367   59.405   13.961   93.427   8.9786   90.610   11.370 2.817101 14.48729 
1 1 1  -29    6   77 o   66.044   10.141   35.598   9.2116   19.120   13.668   49.309   12.468   49.614   16.938   82.474   11.156 -32.85919 20.28185 
1 1 1  -29    6   78 o   50.618   15.457   20.328   11.576   0.0000   0.0000   20.328   11.576  ?   ?    50.618   15.457      ?      ? 
1 1 1  -29    6   79 o   65.017   14.339   33.293   12.294   0.0000   0.0000   33.293   12.294  ?   ?    65.017   14.339      ?      ? 
1 1 1  -29    6   80 o   64.596   14.493   33.150   12.375   0.0000   0.0000   33.150   12.375  ?   ?    64.596   14.493      ?      ? 
1 1 1  -29    6   81 o   68.123   13.980   36.593   12.473   0.0000   0.0000   36.593   12.473  ?   ?    68.123   13.980      ?      ? 
1 1 1  -29    7    1 o  399.781   5.6013  1086.84   30.276  1095.59   44.420  1079.24   41.376  401.231   8.1696  398.331   7.6651 2.900696 11.20252 
1 1 1  -29    7    2 o  169.369   4.4407  196.687   10.008  184.437   15.434  205.574   13.146  164.730   6.9138  174.008   5.5748 -9.277802 8.881444 
1 1 1  -29    7    3 o  193.444   5.1190  262.051   12.891  288.083   16.624  222.790   20.416  205.962   5.9563  180.927   8.3270 25.03514 10.23797 
1 1 1  -29    7    4 o  292.080   5.4011  591.553   19.275  607.370   22.941  553.588   35.543  299.093   5.6600  285.067   9.2007 14.02646 10.80224 
1 1 1  -29    7    5 o  349.806   6.1145  831.060   28.985  831.060   28.985   0.0000   0.0000  349.806   6.1145  ?   ?       ?      ? 
1 1 1  -29    7    6 o  176.470   5.2315  211.369   12.511  211.369   12.511   0.0000   0.0000  176.470   5.2315  ?   ?       ?      ? 
1 1 1  -29    7    7 o  277.794   5.2252  515.812   17.675  504.884   20.737  544.833   33.795  272.706   5.6115  282.883   8.8159 -10.17731 10.45032 
1 1 1  -29    7    8 o  452.422   6.8698  1395.36   37.221  1395.80   43.464  1394.14   72.080  453.172   7.0776  451.671   11.776 1.501740 13.73954 
1 1 1  -29    7    9 o  421.527   6.5421  1196.40   32.926  1181.21   38.260  1239.76   64.647  416.941   6.7716  426.112   11.196 -9.170441 13.08413 
1 1 1  -29    7   10 o  277.153   5.3113  522.631   17.984  523.119   21.258  521.403   33.729  277.587   5.6513  276.718   8.9947 0.8695068 10.62267 
1 1 1  -29    7   11 o  333.173   5.7684  755.584   23.303  756.084   27.412  754.281   44.250  333.674   6.0622  332.673   9.8156 1.000977 11.53672 
1 1 1  -29    7   12 o  324.576   5.6559  700.882   22.136  682.932   25.789  751.120   43.144  317.130   6.0008  332.022   9.5888 -14.89227 11.31174 
1 1 1  -29    7   13 o  171.598   4.8438  196.728   10.410  191.521   12.447  208.845   18.989  167.973   5.4681  175.224   7.9970 -7.251816 9.687663 
1 1 1  -29    7   14 o  263.045   5.2824  471.621   17.022  473.257   20.169  467.574   31.732  264.030   5.6371  262.059   8.9353 1.971008 10.56486 
1 1 1  -29    7   15 o  267.789   5.3872  496.307   17.731  508.962   21.180  466.665   32.416  273.802   5.7084  261.776   9.1381 12.02692 10.77450 
1 1 1  -29    7   16 o  173.374   5.3868  204.491   12.500  205.062   16.450  203.711   19.228  173.709   6.9881  173.040   8.1998 0.6696167 10.77362 
1 1 1  -29    7   17 o  319.590   5.6920  685.569   22.020  674.571   25.771  715.317   42.384  315.179   6.0339  324.000   9.6533 -8.821289 11.38397 
1 1 1  -29    7   18 o  330.993   6.2406  739.176   26.950  721.820   33.637  770.291   45.038  325.815   7.6183  336.171   9.8864 -10.35605 12.48120 
1 1 1  -29    7   19 f  277.963   7.2592  525.203   27.344  525.203   27.344   0.0000   0.0000  277.963   7.2592  ?   ?       ?      ? 
1 1 1  -29    7   20 o  424.466   6.7099  1223.40   34.093  1218.72   39.760  1236.41   66.261  423.483   6.9283  425.448   11.493 -1.965881 13.41971 
1 1 1  -29    7   21 o  456.777   6.9955  1406.45   38.089  1389.30   44.227  1455.72   74.946  452.087   7.2191  461.467   11.985 -9.379974 13.99101 
1 1 1  -29    7   22 o  284.331   5.9128  548.965   22.782  548.965   22.782   0.0000   0.0000  284.331   5.9128  ?   ?       ?      ? 
1 1 1  -29    7   23 o  181.696   5.3528  220.270   12.842  206.929   16.206  242.782   21.052  174.500   6.8533  188.891   8.2245 -14.39128 10.70558 
1 1 1  -29    7   24 o  356.073   6.4522  859.926   29.782  851.122   36.978  876.182   50.244  353.756   7.7135  358.390   10.345 -4.633850 12.90448 
1 1 1  -29    7   25 o  298.300   6.0278  612.391   23.491  632.351   29.798  579.620   38.182  304.988   7.2098  291.612   9.6620 13.37659 12.05550 
1 1 1  -29    7   26 o  186.173   5.4013  234.420   13.287  229.967   16.926  241.570   21.450  183.955   6.7898  188.391   8.4020 -4.435471 10.80253 
1 1 1  -29    7   27 o  176.919   4.7112  213.182   11.267  203.615   16.282  221.971   15.606  173.080   6.9421  180.758   6.3709 -7.677826 9.422371 
1 1 1  -29    7   28 o  406.804   5.7897  1126.30   31.910  1124.35   45.567  1128.17   44.702  406.441   8.2732  407.168   8.1015 -0.7268677 11.57931 
1 1 1  -29    7   29 o  274.763   4.9320  513.611   18.346  501.162   26.332  525.354   25.575  271.501   7.1569  278.024   6.7881 -6.523254 9.864036 
1 1 1  -29    7   30 o  105.745   5.4200   75.351   7.7283   83.744   11.653   68.759   10.326  110.948   7.7503  100.542   7.5789 10.40639 10.84007 
1 1 1  -29    7   31 o  178.343   4.7797  214.530   11.506  240.768   17.122  192.922   15.538  188.214   6.7128  168.471   6.8058 19.74327 9.559331 
1 1 1  -29    7   32 o  372.627   7.8782  947.963   39.663  961.153   58.573  936.794   53.901  374.905   11.529  370.348   10.740 4.556915 15.75650 
1 1 1  -29    7   33 o  336.051   10.211  770.810   46.501   0.0000   0.0000  770.810   46.501  ?   ?   336.051   10.211      ?      ? 
1 1 1  -29    7   34 o  156.532   4.9607  166.345   10.487  169.659   15.547  163.579   14.206  157.940   7.2641  155.124   6.7578 2.816254 9.921461 
1 1 1  -29    7   35 o  163.609   4.9413  182.940   10.899  168.311   15.790  196.254   15.064  157.294   7.4076  169.925   6.5417 -12.63022 9.882599 
1 1 1  -29    7   36 o  380.011   6.9117  972.758   33.228  1020.61   59.304  950.864   40.116  386.277   11.329  373.746   7.9205 12.53119 13.82346 
1 1 1  -29    7   37 o  225.313   6.0743  350.837   17.256  332.094   30.199  359.924   21.028  220.542   10.105  230.084   6.7440 -9.542465 12.14856 
1 1 1  -29    7   38 o  224.188   7.0852  342.955   21.518  331.721   30.030  354.809   30.849  220.411   10.054  227.965   9.9859 -7.553207 14.17047 
1 1 1  -29    7   39 o  225.059   6.1473  346.827   17.716  350.219   21.810  340.248   30.376  226.904   7.0930  223.213   10.042 3.691193 12.29457 
1 1 1  -29    7   40 o  183.763   4.9424  228.593   12.268  243.184   18.262  216.592   16.563  189.067   7.1277  178.458   6.8487 10.60869 9.884784 
1 1 1  -29    7   41 o  106.898   6.0937   78.377   8.7412   73.945   13.095   81.939   11.740  104.104   9.2820  109.692   7.8977 -5.588394 12.18731 
1 1 1  -29    7   42 f  112.646   5.9564   85.881   9.0423   92.008   13.679   81.126   12.050  116.168   8.6895  109.123   8.1490 7.045258 11.91272 
1 1 1  -29    7   43 o  168.264   5.1028  193.425   11.578  183.553   16.970  202.024   15.837  164.189   7.6269  172.340   6.7811 -8.151123 10.20552 
1 1 1  -29    7   44 o   91.251   6.5080   57.065   7.9727   54.962   12.000   58.726   10.667   89.690   9.8734   92.812   8.4813 -3.121643 13.01604 
1 1 1  -29    7   45 o  243.111   5.0320  402.867   16.552  385.055   23.708  419.806   23.119  237.824   7.3561  248.399   6.8682 -10.57532 10.06400 
1 1 1  -29    7   46 o  382.562   5.7747  997.939   29.923  964.063   42.352  1031.70   42.284  376.036   8.3112  389.088   8.0194 -13.05139 11.54934 
1 1 1  -29    7   47 o  279.898   5.2007  533.633   19.708  529.796   28.427  537.184   27.348  278.897   7.5214  280.899   7.1844 -2.002014 10.40132 
1 1 1  -29    7   48 o  190.567   6.4158  257.624   15.248  222.080   26.481  275.251   18.649  180.031   10.854  201.103   6.8432 -21.07191 12.83156 
1 1 1  -29    7   49 o  274.192   6.3160  503.841   21.778  539.129   39.479  488.406   26.109  280.587   10.383  267.797   7.1946 12.79016 12.63198 
1 1 1  -29    7   50 o  107.906   6.0579   79.074   8.8223   83.932   13.214   75.167   11.850  110.859   8.7959  104.953   8.3320 5.905380 12.11574 
1 1 1  -29    7   51 o   92.875   6.7829   60.618   8.2966   46.830   12.173   72.579   11.338   82.615   10.873  103.135   8.1123 -20.52020 13.56586 
1 1 1  -29    7   52 o  123.261   6.6154  103.975   10.853  104.071   14.092  103.835   17.017  123.445   8.4239  123.078   10.203 0.3664017 13.23083 
1 1 1  -29    7   53 o  233.842   6.0567  371.062   18.639  362.902   23.571  384.678   30.450  230.661   7.5409  237.024   9.4800 -6.363663 12.11342 
1 1 1  -29    7   54 o  269.155   6.6974  505.936   22.909  525.912   28.233  467.438   39.195  277.634   7.5042  260.677   11.095 16.95691 13.39479 
1 1 1  -29    7   55 o  233.772   5.1431  372.676   16.277  376.739   23.595  368.987   22.484  234.956   7.4106  232.587   7.1335 2.369003 10.28611 
1 1 1  -29    7   56 o  221.133   5.1293  334.046   15.348  327.794   22.200  339.770   21.241  219.099   7.4771  223.167   7.0238 -4.067978 10.25865 
1 1 1  -29    7   57 o  185.465   5.1855  234.899   13.017  235.461   18.884  234.390   17.968  185.641   7.5066  185.289   7.1560 0.3526306 10.37103 
1 1 1  -29    7   58 o  124.039   5.8117  105.502   9.7298  103.700   14.346  107.036   13.240  122.993   8.6075  125.084   7.8111 -2.090752 11.62331 
1 1 1  -29    7   59 o   78.886   7.4750   44.012   7.7877   35.650   11.582   50.912   10.521   71.680   11.924   86.093   9.0177 -14.41324 14.95000 
1 1 1  -29    7   60 o  179.076   6.7504  230.652   14.771  196.980   26.457  245.900   17.804  168.469   11.589  189.682   6.9263 -21.21249 13.50080 
1 1 1  -29    7   61 o   74.357   10.668   48.302   9.4604   21.926   17.903   58.520   11.143   56.488   19.384   92.226   8.9161 -35.73811 21.33601 
1 1 1  -29    7   62 o   58.670   9.6566   25.492   7.5596   20.987   11.179   29.288   10.261   53.591   14.870   63.750   12.324 -10.15918 19.31323 
1 1 1  -29    7   63 o  143.196   6.4968  137.099   11.862  154.755   21.161  129.010   14.324  149.314   10.458  137.078   7.7109 12.23587 12.99369 
1 1 1  -29    7   64 o  162.198   5.3418  181.508   11.687  167.693   16.897  194.177   16.182  156.125   7.9865  168.270   7.0963 -12.14491 10.68367 
1 1 1  -29    7   65 o   79.119   7.3015   44.116   7.7248   37.734   11.242   49.824   10.632   73.421   11.299   84.816   9.2505 -11.39487 14.60297 
1 1 1  -29    7   66 o   35.493   9.6262   5.7773   6.6149   10.127   9.7866   2.1185   8.9756   39.960   14.283   31.026   12.910 8.934038 19.25248 
1 1 1  -29    7   67 o   83.424   7.0171   48.432   7.9226   51.315   11.555   45.874   10.884   85.756   9.9432   81.092   9.9040 4.664215 14.03414 
1 1 1  -29    7   68 o  153.816   6.6431  161.669   13.033  155.546   15.817  174.621   23.002  150.044   7.7788  157.588   10.771 -7.544662 13.28614 
1 1 1  -29    7   69 o  127.891   6.8458  106.160   11.130   92.199   13.268  139.331   20.450  115.199   8.4989  140.584   10.734 -25.38493 13.69159 
1 1 1  -29    7   70 o   87.112   6.7740   53.164   7.9710   58.991   11.458   47.700   11.096   91.846   9.2063   82.377   9.9396 9.468422 13.54808 
1 1 1  -29    7   71 f   79.932   7.8807   43.330   8.2644   37.385   10.241   54.433   13.994   72.694   10.396   87.169   11.847 -14.47482 15.76140 
1 1 1  -29    7   72 o   68.666   9.1393   36.979   7.8346   42.557   9.8907   27.586   12.836   77.760   9.3861   59.572   15.685 18.18784 18.27862 
1 1 1  -29    7   73 o   62.883   9.3949   30.677   7.6863   34.486   9.8238   24.663   12.342   69.578   10.419   56.188   15.637 13.38960 18.78985 
1 1 1  -29    7   74 o  100.519   7.0510   71.523   9.3180   70.265   11.796   73.610   15.195   99.923   8.7115  101.115   11.090 -1.191750 14.10208 
1 1 1  -29    7   75 o  102.917   7.2470   78.649   9.6345   89.098   12.515   63.445   15.096  112.628   8.1995   93.206   11.952 19.42170 14.49406 
1 1 1  -29    7   76 o   71.953   13.615   39.746   12.789   0.0000   0.0000   39.746   12.789  ?   ?    71.953   13.615      ?      ? 
1 1 1  -29    7   77 o   26.019   11.959  -5.2866   9.6599   0.0000   0.0000  -5.2866   9.6599  ?   ?    26.019   11.959      ?      ? 
1 1 1  -29    7   78 o   78.662   12.273   46.007   13.083   0.0000   0.0000   46.007   13.083  ?   ?    78.662   12.273      ?      ? 
1 1 1  -29    7   79 o   87.414   11.522   56.433   13.648   0.0000   0.0000   56.433   13.648  ?   ?    87.414   11.522      ?      ? 
1 1 1  -29    7   80 o   45.036   15.392   15.876   11.288   0.0000   0.0000   15.876   11.288  ?   ?    45.036   15.392      ?      ? 
1 1 1  -29    8    1 f  393.657   5.5893  1056.76   29.741  974.136   42.171  1138.52   41.951  378.245   8.2274  409.069   7.5677 -30.82327 11.17854 
1 1 1  -29    8    2 o  163.552   5.0785  182.010   11.220  183.185   15.297  180.642   16.507  164.148   6.8767  162.955   7.4751 1.192993 10.15705 
1 1 1  -29    8    3 o  179.346   4.6660  222.858   10.498  230.378   12.765  207.136   18.457  184.222   5.1131  174.469   7.8065 9.753815 9.331933 
1 1 1  -29    8    4 o  238.491   4.9486  389.576   14.631  393.916   17.517  379.562   26.608  240.872   5.3664  236.110   8.3161 4.762482 9.897242 
1 1 1  -29    8    5 o  266.673   5.1547  484.472   16.922  485.655   20.114  481.606   31.307  267.438   5.5501  265.909   8.6880 1.529144 10.30947 
1 1 1  -29    8    6 f  111.497   4.8982   84.837   7.0446   85.590   8.7373   83.438   11.909  112.264   5.7432  110.729   7.9362 1.534775 9.796325 
1 1 1  -29    8    7 o  172.118   6.2047  201.256   14.472  201.256   14.472   0.0000   0.0000  172.118   6.2047  ?   ?       ?      ? 
1 1 1  -29    8    8 o  185.018   5.0165  230.187   12.232  222.244   15.459  243.484   20.002  180.863   6.3073  189.173   7.8025 -8.309586 10.03296 
1 1 1  -29    8    9 o  187.333   5.0755  237.087   12.539  232.160   15.911  245.160   20.367  184.852   6.3518  189.814   7.9181 -4.961548 10.15094 
1 1 1  -29    8   10 o  207.789   5.2631  297.092   14.380  309.056   18.457  278.609   22.940  213.277   6.3860  202.301   8.3678 10.97691 10.52619 
1 1 1  -29    8   11 o  186.449   5.1697  238.399   12.701  245.507   16.308  227.439   20.251  190.095   6.3306  182.802   8.1748 7.292664 10.33943 
1 1 1  -29    8   12 o  155.599   5.1317  164.327   10.576  163.222   13.570  166.037   16.881  154.991   6.4609  156.207   7.9746 -1.216507 10.26342 
1 1 1  -29    8   13 o  138.546   5.1822  130.598   9.5336  130.882   12.318  130.174   15.055  138.784   6.5497  138.309   8.0325 0.4754181 10.36438 
1 1 1  -29    8   14 o   81.256   6.3766   46.356   6.8002   53.106   9.0313   37.518   10.334   88.363   7.5423   74.150   10.284 14.21217 12.75322 
1 1 1  -29    8   15 o   73.730   6.5452   37.006   6.4796   36.763   8.5887   37.329   9.8720   73.476   8.6257   73.984   9.8465 -0.5080338 13.09032 
1 1 1  -29    8   16 o  130.197   6.6257  118.902   11.259  100.859   17.697  131.173   14.594  121.536   10.745  138.858   7.7554 -17.32168 13.25142 
1 1 1  -29    8   17 o  161.409   5.0186  179.963   10.279  185.587   12.615  168.848   17.734  165.324   5.6307  157.495   8.3090 7.828903 10.03719 
1 1 1  -29    8   18 o  193.980   5.0323  257.455   12.287  260.296   14.889  251.387   21.758  195.793   5.6115  192.166   8.3551 3.627121 10.06466 
1 1 1  -29    8   19 o  211.377   5.0561  302.653   13.370  300.857   16.049  306.728   24.169  210.494   5.6262  212.260   8.4026 -1.765625 10.11224 
1 1 1  -29    8   20 o  181.472   5.0916  228.583   11.612  237.042   14.153  211.157   20.313  186.843   5.5895  176.101   8.5121 10.74207 10.18322 
1 1 1  -29    8   21 o  178.008   5.0039  214.322   11.257  212.381   13.620  218.508   20.001  176.850   5.6830  179.166   8.2377 -2.316162 10.00780 
1 1 1  -29    8   22 o  165.493   5.7359  185.990   12.864  185.990   12.864   0.0000   0.0000  165.493   5.7359  ?   ?       ?      ? 
1 1 1  -29    8   23 o  112.805   5.6072   85.501   8.1498   83.166   10.008   90.096   14.041  110.619   6.6764  114.991   9.0105 -4.372063 11.21446 
1 1 1  -29    8   24 o  269.249   7.4013  493.077   27.005  493.077   27.005   0.0000   0.0000  269.249   7.4013  ?   ?       ?      ? 
1 1 1  -29    8   25 o  243.652   5.8852  403.225   19.432  403.225   19.432   0.0000   0.0000  243.652   5.8852  ?   ?       ?      ? 
1 1 1  -29    8   26 o  176.761   5.3047  217.210   11.767  225.591   14.332  199.869   20.614  182.250   5.8029  171.272   8.8818 10.97777 10.60947 
1 1 1  -29    8   27 o  156.583   5.2821  168.992   10.546  173.560   12.986  160.146   18.073  159.842   5.9954  153.324   8.6982 6.517776 10.56427 
1 1 1  -29    8   28 o  397.064   7.9898  1077.60   42.942  1088.44   62.371  1067.83   59.210  398.883   11.539  395.244   11.055 3.639557 15.97955 
1 1 1  -29    8   29 o  366.285   6.7449  904.996   31.240  943.221   55.722  887.474   37.726  371.444   11.070  361.127   7.7090 10.31696 13.48980 
1 1 1  -29    8   30 o  242.658   5.9776  405.900   18.292  387.680   32.082  414.676   22.266  238.332   9.9334  246.984   6.6525 -8.652313 11.95525 
1 1 1  -29    8   31 o  105.277   6.9264   76.428   8.9901   73.702   16.451   77.589   10.735  103.765   11.699  106.790   7.4178 -3.025604 13.85278 
1 1 1  -29    8   32 o  247.137   6.7271  415.256   22.529   0.0000   0.0000  415.256   22.529  ?   ?   247.137   6.7271      ?      ? 
1 1 1  -29    8   33 o  350.388   6.7046  835.077   29.640  844.572   52.701  830.684   35.846  351.405   11.067  349.371   7.5714 2.033478 13.40918 
1 1 1  -29    8   34 o  219.839   4.8444  328.593   14.395  329.593   21.142  327.729   19.655  220.122   7.0877  219.555   6.6060 0.5669250 9.688870 
1 1 1  -29    8   35 o  180.042   4.8858  220.439   11.889  220.813   17.469  220.115   16.226  180.160   7.1552  179.924   6.6549 0.2360382 9.771663 
1 1 1  -29    8   36 o  222.706   4.9151  337.633   14.797  333.317   21.622  341.434   20.294  221.334   7.2089  224.078   6.6833 -2.744324 9.830271 
1 1 1  -29    8   37 o  246.224   5.0275  413.074   16.747  399.399   24.139  425.764   23.253  242.255   7.3529  250.194   6.8585 -7.939240 10.05502 
1 1 1  -29    8   38 o  287.521   6.5157  569.191   23.937  579.919   29.475  548.411   41.022  291.884   7.4519  283.158   10.691 8.725708 13.03149 
1 1 1  -29    8   39 o  140.189   5.2917  132.951   10.016  143.615   14.973  124.316   13.474  145.234   7.6080  135.144   7.3571 10.08929 10.58343 
1 1 1  -29    8   40 o  211.269   4.9054  304.182   14.010  295.279   20.359  312.190   19.309  208.292   7.2126  214.245   6.6506 -5.952728 9.810870 
1 1 1  -29    8   41 o  184.489   4.9524  232.195   12.337  223.456   18.023  239.900   16.923  181.175   7.3407  187.802   6.6497 -6.626816 9.904797 
1 1 1  -29    8   42 o  168.095   5.0627  193.095   11.476  182.815   16.804  202.080   15.709  163.840   7.5684  172.349   6.7262 -8.508957 10.12535 
1 1 1  -29    8   43 o  295.703   5.2343  595.206   20.954  600.413   30.379  590.480   28.940  296.906   7.5503  294.499   7.2515 2.406952 10.46864 
1 1 1  -29    8   44 o  210.641   5.0541  302.669   14.390  292.158   20.889  312.160   19.851  207.112   7.4427  214.171   6.8397 -7.058731 10.10814 
1 1 1  -29    8   45 o  320.950   5.3916  702.193   23.438  689.059   33.478  714.819   32.824  317.971   7.7694  323.929   7.4776 -5.958374 10.78326 
1 1 1  -29    8   46 f  170.065   5.1718  196.892   11.891  198.751   17.460  195.284   16.240  170.784   7.5441  169.345   7.0765 1.438660 10.34366 
1 1 1  -29    8   47 o  320.304   5.4182  699.783   23.504  680.883   33.503  718.100   32.982  316.002   7.8237  324.606   7.4980 -8.604736 10.83647 
1 1 1  -29    8   48 o  370.759   7.0752  951.580   33.425  910.753   57.463  972.457   41.092  363.983   11.650  377.537   8.0318 -13.55411 14.15035 
1 1 1  -29    8   49 o  231.490   6.0972  371.785   18.547  392.136   23.893  340.931   29.420  239.846   7.3512  223.135   9.7295 16.71080 12.19440 
1 1 1  -29    8   50 o  203.794   5.9838  282.588   16.123  278.484   20.583  289.104   25.935  202.066   7.5169  205.522   9.3122 -3.455948 11.96751 
1 1 1  -29    8   51 o   93.347   6.6420   59.164   8.3641   65.577   12.567   54.063   11.207   97.840   9.4781   88.854   9.3075 8.986565 13.28397 
1 1 1  -29    8   52 o  141.151   5.4459  136.045   10.389  135.845   15.257  136.218   14.185  141.014   7.9841  141.288   7.4086 -0.2737274 10.89182 
1 1 1  -29    8   53 o   86.876   9.0347   50.791   10.018   48.029   12.121   56.742   17.794   83.540   10.707   90.213   14.556 -6.672249 18.06933 
1 1 1  -29    8   54 o  125.561   7.4329  111.349   11.794  117.041   14.517  100.296   20.229  130.794   8.1904  120.327   12.406 10.46678 14.86588 
1 1 1  -29    8   55 o  189.630   5.1739  246.179   13.265  235.184   19.131  256.359   18.409  185.479   7.6114  193.780   7.0102 -8.300323 10.34781 
1 1 1  -29    8   56 o  186.503   5.1643  237.215   13.018  244.739   19.232  230.852   17.685  189.182   7.5017  183.824   7.0995 5.358017 10.32858 
1 1 1  -29    8   57 o  119.676   7.5537  102.174   10.840   91.852   20.309  106.285   12.818  114.733   13.062  124.620   7.5902 -9.886307 15.10747 
1 1 1  -29    8   58 o   97.431   8.2586   65.815   9.7499   66.257   18.510   65.645   11.470   97.113   14.066   97.749   8.6590 -0.6354752 16.51720 
1 1 1  -29    8   59 o  152.665   5.5094  159.966   11.355  158.152   16.744  161.511   15.452  151.779   8.1406  153.551   7.4259 -1.771378 11.01875 
1 1 1  -29    8   60 o  156.533   5.3405  167.580   11.300  174.222   16.701  161.972   15.345  159.340   7.7347  153.726   7.3659 5.613724 10.68096 
1 1 1  -29    8   61 o   70.832   10.590   34.865   10.165   0.0000   0.0000   34.865   10.165  ?   ?    70.832   10.590      ?      ? 
1 1 1  -29    8   62 o   82.955   8.7136   48.712   8.7522   49.613   15.864   48.318   10.494   82.338   14.760   83.572   9.2660 -1.234383 17.42713 
1 1 1  -29    8   63 o   95.986   7.8770   64.953   9.3708   63.172   16.967   65.735   11.241   94.399   13.263   97.574   8.5011 -3.175072 15.75394 
1 1 1  -29    8   64 o   62.580   8.7514   27.677   7.2593   41.821   10.980   16.692   9.6758   77.373   10.472   47.786   14.025 29.58707 17.50286 
1 1 1  -29    8   65 o  138.971   5.4926  133.647   10.311  126.390   14.909  140.299   14.275  135.223   8.1363  142.719   7.3808 -7.496246 10.98519 
1 1 1  -29    8   66 o  140.077   5.4127  135.619   10.258  133.095   14.853  137.921   14.183  138.745   7.8998  141.410   7.4014 -2.665863 10.82537 
1 1 1  -29    8   67 o   92.363   6.4699   59.667   8.0711   56.830   11.711   62.234   11.139   90.136   9.5877   94.589   8.6900 -4.452774 12.93983 
1 1 1  -29    8   68 o   56.300   10.898   22.675   8.1893   19.136   9.9933   29.911   14.289   50.464   14.079   62.137   16.638 -11.67249 21.79587 
1 1 1  -29    8   69 o   97.132   7.3005   65.973   9.3757   63.475   11.922   70.021   15.178   95.148   9.2465   99.116   11.300 -3.967278 14.60101 
1 1 1  -29    8   70 o   60.798   9.7619   26.711   7.7746   20.665   9.9132   36.373   12.531   52.147   13.810   69.450   13.801 -17.30287 19.52376 
1 1 1  -29    8   71 o   31.312   9.4804   0.0809   7.0431  -3.1047   8.9459   5.2747   11.423   26.525   11.921   36.098   14.745 -9.572292 18.96071 
1 1 1  -29    8   72 o   32.660   9.6550   3.0089   7.0477   2.5089   9.1764   3.7278   11.005   31.047   12.997   34.273   14.281 -3.226749 19.30990 
1 1 1  -29    8   73 o   35.695   9.6814   6.7723   7.0267   11.863   8.8976  -1.6651   11.454   40.476   13.667   30.914   13.717 9.562504 19.36287 
1 1 1  -29    8   74 o   70.374   9.0858   38.553   8.0893   42.906   10.370   31.788   12.928   77.438   9.8823   63.310   15.250 14.12811 18.17167 
1 1 1  -29    8   75 o  129.869   10.168  121.442   17.895   0.0000   0.0000  121.442   17.895  ?   ?   129.869   10.168      ?      ? 
1 1 1  -29    8   76 o   73.327   13.143   41.270   12.580   0.0000   0.0000   41.270   12.580  ?   ?    73.327   13.143      ?      ? 
1 1 1  -29    8   77 o   66.144   14.014   34.431   12.170   0.0000   0.0000   34.431   12.170  ?   ?    66.144   14.014      ?      ? 
1 1 1  -29    8   78 o   58.182   15.350   27.646   12.278   0.0000   0.0000   27.646   12.278  ?   ?    58.182   15.350      ?      ? 
1 1 1  -29    8   79 o   64.251   15.020   33.537   12.844   0.0000   0.0000   33.537   12.844  ?   ?    64.251   15.020      ?      ? 
1 1 1  -29    9    1 o  180.309   5.0105  229.712   11.763  267.148   15.540  179.469   18.002  198.301   5.7827  162.318   8.1842 35.98267 10.02105 
1 1 1  -29    9    2 o  173.459   4.6347  209.682   10.136  219.512   12.422  190.105   17.531  179.808   5.0981  167.109   7.7415 12.69885 9.269386 
1 1 1  -29    9    3 o  287.361   5.6617  548.091   21.452  505.117   26.937  622.610   35.471  272.472   7.2953  302.250   8.6602 -29.77872 11.32345 
1 1 1  -29    9    4 o  285.581   5.4343  580.145   19.174  622.700   23.318  491.292   33.694  302.776   5.6832  268.385   9.2644 34.39136 10.86861 
1 1 1  -29    9    5 o  227.125   4.7607  340.176   13.454  325.138   15.945  377.352   25.069  218.815   5.3772  235.435   7.8576 -16.62051 9.521353 
1 1 1  -29    9    6 o  193.047   4.9049  263.269   11.853  281.914   14.547  226.434   20.447  203.762   5.2683  182.333   8.2752 21.42923 9.809847 
1 1 1  -29    9    7 o  143.386   5.4491  139.618   10.588  139.618   10.588   0.0000   0.0000  143.386   5.4491  ?   ?       ?      ? 
1 1 1  -29    9    8 o  180.123   5.4213  220.319   13.233  220.319   13.233   0.0000   0.0000  180.123   5.4213  ?   ?       ?      ? 
1 1 1  -29    9    9 o  281.688   5.3877  552.493   18.792  572.295   22.633  508.539   33.719  290.266   5.7538  273.111   9.1107 17.15472 10.77548 
1 1 1  -29    9   10 o  244.619   4.9717  385.528   15.000  358.214   17.573  458.845   28.791  229.656   5.6466  259.581   8.1846 -29.92444 9.943380 
1 1 1  -29    9   11 o  241.644   4.9646  376.794   14.867  349.828   17.476  447.424   28.284  226.949   5.6825  256.339   8.1422 -29.38905 9.929099 
1 1 1  -29    9   12 o  162.394   4.7604  174.040   9.9180  163.887   12.047  195.398   17.472  155.335   5.7230  169.454   7.6087 -14.11905 9.520819 
1 1 1  -29    9   13 o  193.561   4.9591  259.007   12.121  266.938   14.807  242.896   21.104  198.262   5.5111  188.861   8.2461 9.401733 9.918183 
1 1 1  -29    9   14 o  216.364   4.9798  314.971   13.543  309.447   16.276  327.406   24.419  213.456   5.6267  219.272   8.2178 -5.816223 9.959533 
1 1 1  -29    9   15 o  201.086   5.1916  287.125   13.058  310.449   16.069  241.779   22.406  213.808   5.5462  188.364   8.7779 25.44475 10.38320 
1 1 1  -29    9   16 o  204.997   5.4929  286.355   15.107  288.494   20.041  283.540   22.989  205.951   7.1809  204.042   8.3140 1.908249 10.98576 
1 1 1  -29    9   17 o  160.686   4.9701  176.408   10.291  178.278   12.756  172.921   17.418  162.005   5.8104  159.368   8.0652 2.637375 9.940199 
1 1 1  -29    9   18 o  232.917   5.1898  372.551   15.112  378.309   18.231  359.905   27.016  236.006   5.7004  229.829   8.6742 6.177002 10.37964 
1 1 1  -29    9   19 o  236.865   5.2721  389.092   15.604  401.623   18.905  362.304   27.641  243.164   5.7372  230.566   8.8467 12.59868 10.54412 
1 1 1  -29    9   20 o  286.290   5.5631  567.190   19.746  581.683   23.736  534.619   35.584  292.607   5.9860  279.974   9.3788 12.63208 11.12629 
1 1 1  -29    9   21 o  172.885   5.0787  201.897   11.243  199.060   13.757  207.602   19.511  171.175   5.9304  174.594   8.2465 -3.419006 10.15748 
1 1 1  -29    9   22 o  143.500   7.4151  140.108   14.420  140.108   14.420   0.0000   0.0000  143.500   7.4151  ?   ?       ?      ? 
1 1 1  -29    9   23 o  190.546   6.2886  247.064   16.147  251.454   24.243  243.564   21.648  192.009   9.3172  189.083   8.4485 2.925980 12.57725 
1 1 1  -29    9   24 o  204.830   6.3601  286.142   17.564  284.999   26.160  287.080   23.701  204.392   9.4448  205.267   8.5204 -0.8747101 12.72013 
1 1 1  -29    9   25 o  301.941   6.0845  621.313   24.169  621.480   30.707  621.043   39.183  302.201   7.4982  301.681   9.5845 0.5194397 12.16908 
1 1 1  -29    9   26 o  273.758   6.0214  519.524   21.792  559.075   28.556  464.373   33.721  286.646   7.3514  260.870   9.5387 25.77679 12.04285 
1 1 1  -29    9   27 o  177.596   5.1931  211.879   11.747  206.796   14.266  222.587   20.704  174.451   6.0346  180.742   8.4532 -6.290482 10.38620 
1 1 1  -29    9   28 o  189.792   5.2108  240.773   12.542  233.167   15.143  257.388   22.381  185.238   6.0327  194.346   8.4979 -9.107971 10.42150 
1 1 1  -29    9   29 o  133.076   5.7111  123.129   9.8341  129.908   12.405  111.661   16.134  138.223   6.6226  127.930   9.3064 10.29252 11.42226 
1 1 1  -29    9   30 o  226.387   7.5891  348.881   23.282  348.881   23.282   0.0000   0.0000  226.387   7.5891  ?   ?       ?      ? 
1 1 1  -29    9   31 o  280.861   10.460  539.275   39.813  539.275   39.813   0.0000   0.0000  280.861   10.460  ?   ?       ?      ? 
1 1 1  -29    9   32 o   82.754   8.1996   41.824   8.4628   60.746   16.352   34.902   9.8904   94.046   12.831   71.462   10.213 22.58363 16.39923 
1 1 1  -29    9   33 o   92.615   6.5786   62.056   7.7577   41.195   11.614   78.860   10.424   77.577   11.048  107.652   7.1454 -30.07539 13.15729 
1 1 1  -29    9   34 o  254.833   4.9442  441.707   17.047  444.151   24.850  439.535   23.428  255.470   7.1779  254.195   6.8013 1.274384 9.888360 
1 1 1  -29    9   35 o  247.965   4.9328  419.186   16.542  396.301   23.677  441.012   23.122  241.299   7.2407  254.630   6.7010 -13.33043 9.865660 
1 1 1  -29    9   36 o  249.886   4.9530  424.733   16.745  428.029   24.431  421.814   22.996  250.771   7.1893  249.001   6.8150 1.770157 9.906039 
1 1 1  -29    9   37 o  275.011   6.2466  500.419   21.928  471.940   26.508  562.160   39.029  263.269   7.4300  286.753   10.044 -23.48380 12.49329 
1 1 1  -29    9   38 f  272.815   6.3375  506.432   22.110  503.310   27.074  512.683   38.311  271.880   7.3484  273.749   10.327 -1.868683 12.67498 
1 1 1  -29    9   39 o  257.162   5.0258  450.263   17.498  448.570   25.270  451.823   24.253  256.671   7.2653  257.654   6.9461 -0.9829102 10.05150 
1 1 1  -29    9   40 o  281.578   5.1334  540.276   19.571  529.161   28.086  550.767   27.286  278.726   7.4358  284.430   7.0792 -5.703094 10.26680 
1 1 1  -29    9   41 o  190.118   5.0202  247.130   12.880  228.415   18.575  264.459   17.874  183.105   7.4860  197.131   6.6909 -14.02576 10.04031 
1 1 1  -29    9   42 o  227.571   5.0235  352.763   15.469  351.171   22.475  354.196   21.323  227.051   7.3044  228.092   6.8984 -1.041306 10.04699 
1 1 1  -29    9   43 o  465.686   6.4086  1481.55   40.432  1496.15   57.966  1467.71   56.424  467.886   9.1422  463.486   8.9834 4.400299 12.81727 
1 1 1  -29    9   44 o  296.636   5.2701  600.031   21.167  592.361   30.452  607.201   29.443  294.761   7.6237  298.512   7.2785 -3.751160 10.54027 
1 1 1  -29    9   45 o  192.615   5.9037  254.830   15.061  260.804   19.478  245.947   23.750  195.606   7.3481  189.625   9.2424 5.981583 11.80749 
1 1 1  -29    9   46 o  138.489   6.2850  129.994   11.617  124.872   15.043  137.563   18.286  135.230   8.2089  141.747   9.5195 -6.517334 12.57006 
1 1 1  -29    9   47 o  226.293   7.0057  351.161   21.396  350.089   31.691  352.059   29.003  225.854   10.355  226.733   9.4395 -0.8787537 14.01145 
1 1 1  -29    9   48 o  123.361   5.7369  104.093   9.5446  102.626   14.153  105.316   12.927  122.510   8.5247  124.212   7.6797 -1.701424 11.47386 
1 1 1  -29    9   49 o  137.357   5.4722  128.273   10.145  135.079   15.176  122.772   13.642  140.605   7.9646  134.110   7.5063 6.495758 10.94435 
1 1 1  -29    9   50 o  105.110   6.1151   75.269   8.6644   79.117   13.059   72.243   11.580  107.458   8.9681  102.763   8.3157 4.694458 12.23022 
1 1 1  -29    9   51 o   63.182   9.0081   30.670   7.4909   15.715   11.306   42.375   10.001   47.790   15.374   78.573   9.3931 -30.78330 18.01621 
1 1 1  -29    9   52 o  155.991   5.3260  166.530   11.238  162.385   16.263  170.319   15.548  154.083   7.7889  157.898   7.2662 -3.815063 10.65199 
1 1 1  -29    9   53 o  117.569   7.3260   96.342   11.119   98.890   13.881   91.779   18.573  120.091   8.5294  115.046   11.913 5.044868 14.65194 
1 1 1  -29    9   54 f   60.110   11.085   23.853   8.2704   33.032   16.324   20.684   9.5926   66.813   17.735   53.406   13.304 13.40654 22.16993 
1 1 1  -29    9   55 o  130.291   7.1005  119.052   11.287  112.715   20.874  121.670   13.418  127.259   12.104  133.323   7.4270 -6.063446 14.20094 
1 1 1  -29    9   56 o  148.057   5.4636  150.535   10.897  147.804   16.239  152.772   14.697  146.732   8.1665  149.382   7.2602 -2.649048 10.92716 
1 1 1  -29    9   57 o  113.958   6.1298   91.046   9.2769   77.733   13.880  101.794   12.472  106.075   9.6562  121.842   7.5534 -15.76715 12.25953 
1 1 1  -29    9   58 o  112.575   5.9703   86.497   9.0643   95.090   13.658   79.733   12.118  117.500   8.5776  107.649   8.3067 9.851181 11.94051 
1 1 1  -29    9   59 o  118.912   5.8703   97.194   9.3919   99.018   14.209   95.779   12.516  119.793   8.7528  118.031   7.8250 1.762222 11.74056 
1 1 1  -29    9   60 o  166.087   5.2698  191.143   11.754  166.416   16.928  214.162   16.332  155.439   8.0363  176.736   6.8193 -21.29691 10.53970 
1 1 1  -29    9   61 o  107.259   6.1334   79.384   8.8679   81.226   13.302   77.911   11.897  108.276   9.0658  106.242   8.2636 2.034370 12.26689 
1 1 1  -29    9   62 o   87.473   8.0292   52.824   8.8371   56.516   15.953   51.189   10.615   89.071   13.216   85.875   9.1212 3.196198 16.05836 
1 1 1  -29    9   63 o   61.736   8.7806   26.987   7.1968   37.372   10.911   18.988   9.5751   72.879   11.048   50.593   13.651 22.28618 17.56113 
1 1 1  -29    9   64 o  123.683   5.6249  105.332   9.3871  111.434   14.077  100.445   12.597  126.814   8.1912  120.551   7.7111 6.262856 11.24975 
1 1 1  -29    9   65 o   97.810   6.3097   67.666   8.2304   58.157   12.144   75.745   11.193   91.063   9.8407  104.556   7.9001 -13.49270 12.61946 
1 1 1  -29    9   66 o   92.980   7.5629   61.598   9.2768   63.216   11.947   59.140   14.722   95.017   9.2787   90.942   11.946 4.075325 15.12579 
1 1 1  -29    9   67 o   86.942   9.6772   53.209   11.401   53.209   11.401   0.0000   0.0000   86.942   9.6772  ?   ?       ?      ? 
1 1 1  -29    9   68 o   66.278   9.2765   30.804   8.0826   20.960   10.335   46.310   12.970   52.389   14.201   80.168   11.939 -27.77925 18.55305 
1 1 1  -29    9   69 f   92.602   7.3858   61.955   8.9911   65.176   11.613   57.133   14.207   96.276   8.9009   88.928   11.789 7.347954 14.77165 
1 1 1  -29    9   70 o   72.664   8.8264   36.823   8.2624   26.978   10.434   53.372   13.529   59.486   13.280   85.841   11.630 -26.35578 17.65271 
1 1 1  -29    9   71 o   49.563   9.8193   17.084   7.5877   6.1765   10.069   31.416   11.542   35.219   14.035   63.906   13.737 -28.68742 19.63856 
1 1 1  -29    9   72 o   68.804   8.8822   34.357   8.0074   27.516   10.395   44.338   12.557   59.836   13.177   77.772   11.914 -17.93674 17.76435 
1 1 1  -29    9   73 o   78.916   10.012   48.029   10.341   46.505   15.673   49.205   13.762   76.381   15.668   81.451   12.468 -5.069984 20.02363 
1 1 1  -29    9   74 o   66.537   14.331   34.869   12.540   0.0000   0.0000   34.869   12.540  ?   ?    66.537   14.331      ?      ? 
1 1 1  -29    9   75 o   67.104   14.224   35.554   12.533   0.0000   0.0000   35.554   12.533  ?   ?    67.104   14.224      ?      ? 
1 1 1  -29    9   76 o   69.389   13.649   37.711   12.377   0.0000   0.0000   37.711   12.377  ?   ?    69.389   13.649      ?      ? 
1 1 1  -29    9   77 o   64.803   14.552   33.757   12.466   0.0000   0.0000   33.757   12.466  ?   ?    64.803   14.552      ?      ? 
1 1 1  -29    9   78 o   45.805   15.536   16.792   11.499   0.0000   0.0000   16.792   11.499  ?   ?    45.805   15.536      ?      ? 
1 1 1  -29   10    1 o  227.766   5.1358  356.240   15.433  367.662   19.869  338.868   24.503  232.538   6.3053  222.994   8.1086 9.543915 10.27162 
1 1 1  -29   10    2 o  305.518   5.7516  633.951   22.961  628.130   28.814  644.079   38.007  303.829   6.9983  307.207   9.1296 -3.377747 11.50327 
1 1 1  -29   10    3 o  224.878   6.4936  335.607   19.137  381.917   32.173  310.251   23.807  236.393   10.043  213.363   8.2338 23.02992 12.98711 
1 1 1  -29   10    4 o  314.642   5.9948  690.296   24.793  752.793   32.334  601.123   38.623  332.592   7.1741  296.692   9.6063 35.90018 11.98958 
1 1 1  -29   10    5 o  306.681   5.8119  640.519   23.377  639.338   29.545  642.498   38.228  306.522   7.1128  306.840   9.1936 -0.3182373 11.62388 
1 1 1  -29   10    6 o  171.695   5.1506  204.211   11.769  230.603   15.955  172.721   17.428  184.167   6.3931  159.224   8.0773 24.94319 10.30121 
1 1 1  -29   10    7 o   30.245   12.354   2.3138   8.0195   2.3138   8.0195   0.0000   0.0000   30.245   12.354  ?   ?       ?      ? 
1 1 1  -29   10    8 o  148.765   6.8843  150.544   13.878  150.544   13.878   0.0000   0.0000  148.765   6.8843  ?   ?       ?      ? 
1 1 1  -29   10    9 o  143.939   5.1623  140.735   10.045  137.406   13.670  144.643   14.810  142.109   7.0985  145.768   7.4972 -3.659195 10.32454 
1 1 1  -29   10   10 o  220.986   5.4094  337.145   15.898  362.186   21.069  304.033   24.227  230.769   6.7372  211.204   8.4649 19.56454 10.81870 
1 1 1  -29   10   11 o  313.551   5.6086  662.549   21.798  652.384   25.926  687.068   40.264  309.809   6.1754  317.293   9.3643 -7.483978 11.21724 
1 1 1  -29   10   12 o  299.975   5.8124  650.520   21.736  729.144   27.037  506.841   36.549  327.543   6.0913  272.406   9.9010 55.13736 11.62470 
1 1 1  -29   10   13 o  298.535   5.8727  601.068   23.067  582.269   29.098  632.862   37.842  292.501   7.3409  304.569   9.1687 -12.06772 11.74544 
1 1 1  -29   10   14 o  158.621   5.0138  173.027   10.323  177.916   12.968  164.570   17.057  161.811   5.9140  155.430   8.0979 6.381683 10.02758 
1 1 1  -29   10   15 o  151.659   5.4282  166.695   10.411  196.205   13.378  121.381   16.577  169.933   5.8094  133.385   9.1713 36.54854 10.85640 
1 1 1  -29   10   16 o  262.778   6.0532  480.288   21.089  569.469   29.068  381.186   30.643  289.255   7.4158  236.301   9.5693 52.95337 12.10640 
1 1 1  -29   10   17 o  330.835   5.7653  721.344   23.253  691.901   27.188  801.558   44.875  319.037   6.2886  342.634   9.6649 -23.59695 11.53063 
1 1 1  -29   10   18 o  305.023   5.7043  644.666   21.699  662.716   26.218  605.426   38.658  312.249   6.1961  297.796   9.5794 14.45346 11.40859 
1 1 1  -29   10   19 o  231.854   6.4374  365.865   20.083  373.852   30.400  359.680   26.752  234.008   9.5864  229.700   8.5943 4.308182 12.87481 
1 1 1  -29   10   20 f  134.069   5.3705  123.733   9.4916  128.747   12.234  116.150   15.044  137.600   6.5608  130.538   8.5045 7.062775 10.74106 
1 1 1  -29   10   21 o  151.685   6.2689  156.406   12.886  156.406   12.886   0.0000   0.0000  151.685   6.2689  ?   ?       ?      ? 
1 1 1  -29   10   22 f   27.548   11.957  -1.2328   8.2820  -1.2328   8.2820   0.0000   0.0000   27.548   11.957  ?   ?       ?      ? 
1 1 1  -29   10   23 o  195.944   5.0603  249.686   12.626  229.658   15.164  294.950   22.797  183.818   6.0876  208.069   8.0851 -24.25056 10.12068 
1 1 1  -29   10   24 o  297.275   5.8139  625.023   21.452  664.412   26.096  542.912   37.677  312.641   6.1594  281.909   9.8624 30.73270 11.62780 
1 1 1  -29   10   25 o  343.267   5.9478  779.433   24.768  751.471   28.900  856.785   48.068  332.445   6.4150  354.088   10.018 -21.64291 11.89553 
1 1 1  -29   10   26 o  252.556   5.3011  417.390   16.571  394.737   19.523  475.759   31.339  240.997   5.9781  264.114   8.7560 -23.11716 10.60215 
1 1 1  -29   10   27 o  295.285   5.7928  616.871   21.180  655.058   25.710  536.215   37.365  310.429   6.1117  280.142   9.8424 30.28711 11.58553 
1 1 1  -29   10   28 o  216.166   5.4206  330.194   14.642  352.309   17.923  285.834   25.385  227.691   5.8089  204.641   9.1537 23.04901 10.84127 
1 1 1  -29   10   29 o  214.079   5.3207  318.064   14.329  328.984   17.468  295.595   25.056  220.015   5.8587  208.143   8.8833 11.87262 10.64133 
1 1 1  -29   10   30 f  148.313   5.2930  146.600   10.134  139.786   12.423  160.156   17.522  143.371   6.3941  153.256   8.4369 -9.884338 10.58607 
1 1 1  -29   10   31 o  150.860   5.9061  156.367   11.965  166.620   16.223  144.140   17.717  156.399   7.6546  145.320   8.9965 11.07930 11.81229 
1 1 1  -29   10   32 o  217.305   5.5280  336.785   14.988  365.588   18.435  280.627   25.742  231.917   5.8659  202.693   9.3716 29.22404 11.05604 
1 1 1  -29   10   33 o  182.305   5.4196  232.705   12.490  245.342   15.381  208.235   21.403  189.970   5.9748  174.640   9.0437 15.33032 10.83913 
1 1 1  -29   10   34 o   92.793   6.7685   60.521   8.1655   65.946   10.481   52.144   13.025   98.365   7.8628   87.222   11.019 11.14333 13.53703 
1 1 1  -29   10   35 o  117.192   5.7484   95.725   8.9116   81.183   13.486  106.995   11.873  109.019   9.1288  125.365   6.9888 -16.34576 11.49684 
1 1 1  -29   10   36 o  225.986   7.1706  349.595   21.949  335.641   30.913  363.781   31.169  221.401   10.303  230.571   9.9754 -9.169861 14.34113 
1 1 1  -29   10   37 o  196.250   6.1627  249.050   15.591  221.268   18.893  308.361   27.605  180.162   7.7385  212.338   9.5934 -32.17622 12.32545 
1 1 1  -29   10   38 o  197.659   4.9722  266.013   13.299  267.420   19.359  264.756   18.301  198.127   7.2103  197.190   6.8486 0.9372864 9.944439 
1 1 1  -29   10   39 o   84.008   6.9406   49.777   7.6472   40.545   11.666   56.733   10.126   76.840   11.204   91.176   8.1957 -14.33575 13.88128 
1 1 1  -29   10   40 o  102.164   6.8647   70.744   9.4362   65.807   12.474   77.348   14.429   98.074   9.3855  106.255   10.021 -8.180962 13.72948 
1 1 1  -29   10   41 o  222.902   5.8411  337.103   17.210  329.664   21.925  349.044   27.778  219.897   7.3577  225.906   9.0739 -6.009262 11.68210 
1 1 1  -29   10   42 o  207.941   8.0428  295.220   22.664  295.220   22.664   0.0000   0.0000  207.941   8.0428  ?   ?       ?      ? 
1 1 1  -29   10   43 o  182.719   5.0572  228.810   12.455  211.188   18.091  244.689   17.173  175.924   7.5886  189.513   6.6870 -13.58899 10.11445 
1 1 1  -29   10   44 o   91.061   6.4614   56.865   7.8951   56.196   11.996   57.376   10.487   90.517   9.7792   91.604   8.4479 -1.086220 12.92281 
1 1 1  -29   10   45 o  169.263   5.0922  196.536   11.615  180.646   16.867  210.865   16.017  162.645   7.6526  175.880   6.7202 -13.23485 10.18449 
1 1 1  -29   10   46 o  111.728   7.2046   79.406   9.9759  102.014   19.224   71.074   11.670  121.547   11.671  101.910   8.4505 19.63715 14.40930 
1 1 1  -29   10   47 o  154.360   5.2534  162.140   10.926  168.327   16.477  157.283   14.597  156.924   7.7484  151.796   7.0962 5.128021 10.50685 
1 1 1  -29   10   48 o  114.512   5.7837   90.445   8.8863   83.964   13.240   95.759   11.987  110.654   8.8295  118.371   7.4731 -7.716675 11.56750 
1 1 1  -29   10   49 o  142.556   5.3495  138.849   10.263  140.085   15.478  137.879   13.710  143.046   7.9846  142.065   7.1214 0.9813690 10.69901 
1 1 1  -29   10   50 o  150.706   6.9486  167.611   12.497  131.274   22.632  183.552   14.990  137.462   12.149  163.951   6.7470 -26.48921 13.89717 
1 1 1  -29   10   51 o   82.763   9.8088   54.589   8.9931   37.644   17.113   61.054   10.570   71.184   17.790   94.342   8.2679 -23.15896 19.61761 
1 1 1  -29   10   52 o   68.127   11.541   34.350   11.337   17.875   16.375   49.519   15.712   52.283   18.497   83.970   13.808 -31.68719 23.08286 
1 1 1  -29   10   53 o   88.229   6.9819   55.068   8.1402   44.623   12.083   63.748   11.015   80.153   11.124   96.304   8.4403 -16.15034 13.96376 
1 1 1  -29   10   54 f  132.651   5.5652  120.890   9.9254  120.196   14.978  121.433   13.253  132.199   8.3605  133.102   7.3477 -0.9032135 11.13044 
1 1 1  -29   10   55 o   70.611   7.6202   34.065   7.2268   40.218   11.108   29.550   9.5164   76.041   10.779   65.181   10.774 10.86009 15.24031 
1 1 1  -29   10   56 o  108.425   5.9431   80.354   8.6462   85.639   13.352   76.538   11.346  111.371   8.8472  105.479   7.9379 5.892181 11.88624 
1 1 1  -29   10   57 o   44.508   9.9084   14.225   6.7590   10.548   10.583   16.758   8.7837   41.124   14.835   47.891   13.138 -6.767204 19.81677 
1 1 1  -29   10   58 o  191.500   5.1824  253.418   13.370  225.517   19.101  280.219   18.721  180.932   7.7904  202.068   6.8367 -21.13560 10.36486 
1 1 1  -29   10   59 o   95.127   6.4235   62.713   8.2433   63.722   12.292   61.888   11.113   95.722   9.4757   94.532   8.6751 1.190712 12.84698 
1 1 1  -29   10   60 f   79.426   7.3116   45.109   7.6509   39.181   11.791   49.420   10.055   74.465   11.684   84.386   8.7930 -9.921104 14.62325 
1 1 1  -29   10   61 o  143.379   6.6975  148.257   11.876  130.888   20.999  156.427   14.401  136.064   11.388  150.693   7.0521 -14.62878 13.39507 
1 1 1  -29   10   62 o   75.917   7.9579   42.989   7.6057   32.100   11.460   51.560   10.168   65.762   13.316   86.072   8.7171 -20.31051 15.91579 
1 1 1  -29   10   63 o   69.716   7.6285   33.935   7.1582   38.878   10.901   30.188   9.4914   74.101   10.855   65.331   10.721 8.769310 15.25700 
1 1 1  -29   10   64 o  104.879   7.1085   79.298   9.7953   86.703   12.814   68.887   15.194  111.499   8.4805   98.259   11.411 13.24075 14.21692 
1 1 1  -29   10   65 o  118.488   6.5807   96.272   10.400   85.624   13.340  112.769   16.605  110.524   8.9067  126.453   9.6899 -15.92882 13.16145 
1 1 1  -29   10   66 o  103.015   8.9203   74.560   12.453   74.560   12.453   0.0000   0.0000  103.015   8.9203  ?   ?       ?      ? 
1 1 1  -29   10   67 o   77.871   8.9932   48.192   8.5834   60.121   11.243   31.526   13.289   92.370   8.9821   63.373   15.583 28.99757 17.98646 
1 1 1  -29   10   68 o   56.091   9.8829   23.185   7.4943   16.990   9.6586   32.558   11.880   47.091   14.061   65.091   13.892 -18.00020 19.76583 
1 1 1  -29   10   69 o   62.169   9.3884   31.027   7.7931   39.560   10.315   19.679   11.895   74.259   10.250   50.079   15.732 24.18010 18.77674 
1 1 1  -29   10   70 o   69.250   10.532   38.775   9.6446   29.942   14.995   45.006   12.595   60.192   17.401   78.308   11.869 -18.11546 21.06322 
1 1 1  -29   10   71 f   38.389   10.686   8.6078   8.1224   7.4026   12.578   9.4700   10.638   38.235   15.528   38.542   14.685 -0.3073807 21.37248 
1 1 1  -29   10   72 o   45.473   11.340   15.799   8.6525   14.946   13.449   16.401   11.302   45.033   16.648   45.913   15.403 -0.8797569 22.68071 
1 1 1  -29   10   73 o   36.949   14.595   7.8871   10.800   0.0000   0.0000   7.8871   10.800  ?   ?    36.949   14.595      ?      ? 
1 1 1  -29   10   74 o   47.097   15.595   17.730   11.593   0.0000   0.0000   17.730   11.593  ?   ?    47.097   15.595      ?      ? 
1 1 1  -29   10   75 o   36.842   14.799   7.5684   11.290   0.0000   0.0000   7.5684   11.290  ?   ?    36.842   14.799      ?      ? 
1 1 1  -29   10   76 o   66.737   14.623   36.010   12.860   0.0000   0.0000   36.010   12.860  ?   ?    66.737   14.623      ?      ? 
1 1 1  -29   10   77 o   51.182   15.766   21.896   12.013   0.0000   0.0000   21.896   12.013  ?   ?    51.182   15.766      ?      ? 
1 1 1  -29   11    1 o  180.436   4.5885  222.248   10.499  223.584   12.789  219.488   18.386  181.406   5.2025  179.466   7.5598 1.940384 9.176986 
1 1 1  -29   11    2 o  141.154   4.4765  134.862   8.1732  133.294   10.118  137.807   13.865  140.061   5.3309  142.248   7.1928 -2.186691 8.952924 
1 1 1  -29   11    3 o  164.866   5.1698  184.567   11.532  172.081   15.835  198.664   16.826  158.943   7.3520  170.789   7.2701 -11.84612 10.33953 
1 1 1  -29   11    4 o  174.871   4.7756  214.740   10.586  228.860   13.114  188.322   17.937  183.537   5.2725  166.204   7.9640 17.33284 9.551212 
1 1 1  -29   11    5 o  221.981   4.8923  333.516   13.667  330.342   16.473  340.523   24.480  220.482   5.5134  223.480   8.0834 -2.998062 9.784613 
1 1 1  -29   11    6 o   93.882   5.0081   59.218   6.3161   54.357   8.2931   65.933   9.7467   89.369   6.8477   98.395   7.3098 -9.026207 10.01620 
1 1 1  -29   11    7 o  175.687   5.5797  209.754   13.284  209.754   13.284   0.0000   0.0000  175.687   5.5797  ?   ?       ?      ? 
1 1 1  -29   11    8 o  257.930   5.3161  468.661   17.142  497.013   20.951  411.240   29.816  270.422   5.7170  245.437   8.9644 24.98538 10.63224 
1 1 1  -29   11    9 o  231.986   5.0198  365.096   14.740  362.827   17.870  369.925   26.070  231.055   5.7074  232.918   8.2595 -1.863083 10.03960 
1 1 1  -29   11   10 o  253.411   5.1772  440.446   16.519  446.010   20.032  428.621   29.203  256.168   5.7705  250.654   8.5974 5.514450 10.35443 
1 1 1  -29   11   11 o  227.739   5.1290  362.578   14.780  381.700   18.207  325.621   25.312  236.995   5.6691  218.482   8.5492 18.51337 10.25805 
1 1 1  -29   11   12 o  180.907   4.8585  222.449   11.362  221.822   14.087  223.614   19.222  180.661   5.7539  181.154   7.8303 -0.4932098 9.717047 
1 1 1  -29   11   13 o  136.067   4.7834  120.215   8.5863  101.896   10.743  152.617   14.287  122.395   6.4769  149.739   7.0410 -27.34412 9.566875 
1 1 1  -29   11   14 o  153.479   6.1294  163.882   12.461  141.867   18.936  180.694   16.549  144.076   9.6989  162.883   7.4972 -18.80661 12.25874 
1 1 1  -29   11   15 o  131.295   7.8432  117.464   13.955   0.0000   0.0000  117.464   13.955  ?   ?   131.295   7.8432      ?      ? 
1 1 1  -29   11   16 o  118.985   5.9798  105.817   8.7544  135.979   11.472   63.772   13.545  141.431   5.9859   96.539   10.354 44.89191 11.95960 
1 1 1  -29   11   17 o  178.040   5.2476  225.705   11.850  249.196   14.873  184.870   19.610  191.486   5.7317  164.593   8.7920 26.89230 10.49530 
1 1 1  -29   11   18 f  231.210   5.1618  363.295   15.121  362.012   18.361  365.998   26.655  230.777   5.8713  231.643   8.4915 -0.8650665 10.32362 
1 1 1  -29   11   19 o  246.130   5.3372  422.391   16.541  440.741   20.232  385.409   28.723  254.638   5.8633  237.621   8.9199 17.01639 10.67443 
1 1 1  -29   11   20 o  215.255   5.4797  334.577   14.778  376.841   18.491  259.853   24.587  235.464   5.7949  195.048   9.3020 40.41588 10.95934 
1 1 1  -29   11   21 o  260.272   5.9317  460.512   20.922  460.512   20.922   0.0000   0.0000  260.272   5.9317  ?   ?       ?      ? 
1 1 1  -29   11   22 o  162.118   5.0153  175.827   10.556  168.578   13.042  189.598   17.975  157.456   6.1121  166.781   7.9532 -9.325272 10.03054 
1 1 1  -29   11   23 o   95.589   5.7589   61.390   7.3663   56.927   9.5567   67.923   11.563   91.402   7.7156   99.776   8.5516 -8.373665 11.51782 
1 1 1  -29   11   24 o  205.070   5.4214  302.767   13.904  337.149   17.296  239.952   23.379  222.715   5.7308  187.424   9.2047 35.29137 10.84289 
1 1 1  -29   11   25 o  188.500   5.0663  237.637   12.197  229.480   14.817  254.778   21.479  183.718   5.9516  193.282   8.2003 -9.564468 10.13251 
1 1 1  -29   11   26 o  153.371   5.5238  169.712   10.668  192.326   13.439  131.183   17.541  168.191   5.8962  138.551   9.3425 29.63983 11.04756 
1 1 1  -29   11   27 o  135.115   5.3520  124.827   9.3994  125.934   11.767  122.874   15.625  136.056   6.3819  134.173   8.5934 1.883057 10.70400 
1 1 1  -29   11   28 f  174.290   5.4868  218.672   12.008  244.684   15.014  172.509   20.001  189.706   5.8403  158.873   9.2903 30.83318 10.97352 
1 1 1  -29   11   29 o  188.411   5.1388  236.471   12.353  226.569   14.969  257.610   21.872  182.521   6.0519  194.302   8.3067 -11.78156 10.27750 
1 1 1  -29   11   30 o  129.613   6.3036  115.928   10.867  142.493   15.463   90.001   15.276  144.550   7.8939  114.677   9.8299 29.87296 12.60716 
1 1 1  -29   11   31 o   84.698   6.6135   48.133   7.4894   43.744   9.6797   54.680   11.822   80.013   8.9273   89.383   9.7599 -9.370590 13.22698 
1 1 1  -29   11   32 o  225.774   5.5175  359.755   15.625  382.867   19.173  314.048   26.963  237.254   5.9634  214.293   9.2848 22.96173 11.03493 
1 1 1  -29   11   33 o  128.318   5.7350  114.667   9.5633  121.388   12.143  103.689   15.519  133.516   6.7113  123.119   9.3015 10.39716 11.46996 
1 1 1  -29   11   34 o   77.050   8.5876   43.788   8.1617   63.711   11.542   23.860   11.543   96.544   8.8217   57.556   14.736 38.98884 17.17518 
1 1 1  -29   11   35 o   78.778   7.6237   42.675   8.1267   44.189   11.333   41.071   11.660   80.254   10.420   77.302   11.131 2.951614 15.24746 
1 1 1  -29   11   36 o  202.882   7.2318  280.635   19.883  280.635   19.883   0.0000   0.0000  202.882   7.2318  ?   ?       ?      ? 
1 1 1  -29   11   37 o  134.189   5.7291  124.311   9.9808  127.836   12.544  118.228   16.477  136.973   6.7579  131.404   9.2533 5.568466 11.45829 
1 1 1  -29   11   38 o  145.100   7.6598  143.718   15.062  143.718   15.062   0.0000   0.0000  145.100   7.6598  ?   ?       ?      ? 
1 1 1  -29   11   39 o   67.964   7.8989   32.420   6.9454   31.631   10.923   32.955   8.9991   66.605   12.562   69.324   9.5793 -2.719490 15.79784 
1 1 1  -29   11   40 o   31.469   9.1355   1.9208   6.1290   4.9926   9.8636  -0.0113   7.8225   35.278   13.943   27.659   11.807 7.618914 18.27104 
1 1 1  -29   11   41 o  102.679   6.0320   72.015   8.2944   73.197   12.790   71.157   10.897  103.327   9.1341  102.030   7.8810 1.297577 12.06404 
1 1 1  -29   11   42 o  196.037   6.2552  266.281   15.170  256.203   27.562  270.661   18.170  192.876   10.545  199.199   6.7312 -6.323517 12.51040 
1 1 1  -29   11   43 o  105.460   8.7121   76.958   12.375   89.025   17.958   66.045   17.078  113.439   11.682   97.481   12.928 15.95769 17.42428 
1 1 1  -29   11   44 o   36.590   10.416   4.5812   8.0113   8.0471   10.094  -1.3183   13.169   38.474   14.383   34.705   15.071 3.769142 20.83267 
1 1 1  -29   11   45 o  226.859   6.3038  347.015   17.655  368.930   32.996  338.224   20.899  231.195   10.532  222.524   6.9304 8.670807 12.60756 
1 1 1  -29   11   46 o  207.424   6.3758  304.888   16.334  272.414   29.136  319.772   19.725  198.468   10.833  216.380   6.7268 -17.91203 12.75163 
1 1 1  -29   11   47 o  131.955   6.8911  121.652   11.075  116.293   20.597  123.832   13.136  129.367   11.749  134.544   7.2047 -5.177063 13.78220 
1 1 1  -29   11   48 o  124.388   5.7519  108.580   9.4642   90.903   14.232  122.595   12.672  114.898   9.1404  133.878   6.9850 -18.97949 11.50378 
1 1 1  -29   11   49 o  125.465   5.5674  108.408   9.3842  104.729   14.092  111.340   12.579  123.431   8.4249  127.498   7.2806 -4.067421 11.13486 
1 1 1  -29   11   50 o   60.043   8.9522   27.090   7.1814   16.703   10.694   35.621   9.6920   48.345   14.872   71.742   9.9692 -23.39679 17.90446 
1 1 1  -29   11   51 o  118.832   6.9551   93.597   10.753   83.873   13.194  112.828   18.555  110.285   8.8285  127.378   10.749 -17.09321 13.91018 
1 1 1  -29   11   52 o  138.212   5.3120  132.115   9.8608  122.544   14.616  140.110   13.359  133.439   8.0828  142.984   6.8946 -9.545441 10.62391 
1 1 1  -29   11   53 o   72.735   7.7407   37.973   7.2844   33.857   11.080   41.107   9.6671   68.416   12.408   77.054   9.2580 -8.637146 15.48144 
1 1 1  -29   11   54 o  133.023   5.4487  122.962   9.7200  110.909   14.341  133.204   13.220  126.754   8.3490  139.293   7.0034 -12.53844 10.89744 
1 1 1  -29   11   55 o  139.763   5.3439  135.851   10.005  122.925   14.850  146.596   13.540  133.411   8.2139  146.116   6.8381 -12.70528 10.68776 
1 1 1  -29   11   56 o   81.177   6.8944   45.751   7.4811   47.085   11.639   44.812   9.7659   82.006   10.473   80.348   8.9692 1.657463 13.78874 
1 1 1  -29   11   57 o   99.125   6.1245   69.407   8.0663   59.289   12.039   77.650   10.866   92.171   9.6387  106.078   7.5588 -13.90694 12.24905 
1 1 1  -29   11   58 o   59.243   8.6189   26.018   6.6927   22.228   10.352   28.740   8.7728   54.472   13.960   64.015   10.113 -9.543091 17.23778 
1 1 1  -29   11   59 o   46.112   9.5041   17.152   7.1089   0.5917   13.437   23.589   8.3773   35.411   15.300   56.813   11.279 -21.40218 19.00825 
1 1 1  -29   11   60 o   49.102   11.372   17.776   8.5962   17.103   13.969   18.186   10.906   48.934   17.103   49.270   14.993 -0.3363075 22.74450 
1 1 1  -29   11   61 o  121.657   6.3670   97.912   10.198   75.209   12.848  136.560   16.763  103.584   9.1532  139.730   8.8530 -36.14573 12.73409 
1 1 1  -29   11   62 o   94.142   7.3111   63.487   9.1518   66.783   12.060   59.013   14.053   97.517   9.1261   90.768   11.425 6.749001 14.62227 
1 1 1  -29   11   63 o   82.996   7.8309   49.567   8.6721   50.846   11.424   47.829   13.321   84.696   9.9539   81.296   12.092 3.399391 15.66182 
1 1 1  -29   11   64 o  106.962   6.8120   80.553   9.7179   78.162   12.598   84.066   15.271  105.395   8.8206  108.530   10.383 -3.134842 13.62395 
1 1 1  -29   11   65 f   80.209   10.313   46.026   11.209   46.026   11.209   0.0000   0.0000   80.209   10.313  ?   ?       ?      ? 
1 1 1  -29   11   66 o   72.412   9.0236   41.169   8.1950   47.775   10.591   31.314   12.937   81.924   9.5399   62.899   15.320 19.02515 18.04722 
1 1 1  -29   11   67 o   49.380   10.304   19.440   7.5392   23.084   9.9022   14.413   11.629   54.552   13.474   44.207   15.593 10.34501 20.60847 
1 1 1  -29   11   68 o   97.471   9.2831   74.120   11.354   58.591   17.475   85.465   14.937   86.003   15.567  108.938   10.118 -22.93518 18.56623 
1 1 1  -29   11   69 o   53.789   11.054   24.164   8.9867   14.964   14.038   30.553   11.698   45.327   16.958   62.252   14.183 -16.92474 22.10758 
1 1 1  -29   11   70 o   37.305   10.680   7.2783   8.3664   4.8582   13.190   8.9074   10.822   36.668   15.479   37.942   14.719 -1.273327 21.36013 
1 1 1  -29   11   71 o   49.265   12.079   17.416   9.5285   28.577   16.484   11.816   11.677   57.429   18.573   41.101   15.449 16.32804 24.15864 
1 1 1  -29   11   72 o   94.344   11.518   66.085   14.725   0.0000   0.0000   66.085   14.725  ?   ?    94.344   11.518      ?      ? 
1 1 1  -29   11   73 o   37.768   14.945   8.6600   11.345   0.0000   0.0000   8.6600   11.345  ?   ?    37.768   14.945      ?      ? 
1 1 1  -29   11   74 o   42.546   15.530   13.718   11.647   0.0000   0.0000   13.718   11.647  ?   ?    42.546   15.530      ?      ? 
1 1 1  -29   11   75 o   37.892   15.129   8.7812   11.722   0.0000   0.0000   8.7812   11.722  ?   ?    37.892   15.129      ?      ? 
1 1 1  -29   11   76 o   62.070   16.090   32.857   13.645   0.0000   0.0000   32.857   13.645  ?   ?    62.070   16.090      ?      ? 
1 1 1  -29   12    1 o  195.209   4.6694  254.479   11.464  246.272   13.741  273.281   20.798  190.314   5.3278  200.104   7.6698 -9.789902 9.338718 
1 1 1  -29   12    2 o  200.767   4.6178  254.509   11.552  227.355   13.564  326.221   22.043  182.847   5.4743  218.688   7.4382 -35.84145 9.235559 
1 1 1  -29   12    3 o  143.909   5.4107  140.518   10.218   97.314   13.775  193.381   15.237  119.326   8.5187  168.491   6.6733 -49.16511 10.82130 
1 1 1  -29   12    4 f  208.107   8.0372  295.678   22.666   0.0000   0.0000  295.678   22.666  ?   ?   208.107   8.0372      ?      ? 
1 1 1  -29   12    5 o  219.045   5.5693  331.079   16.346  367.248   22.400  289.881   23.906  232.128   7.1209  205.963   8.5651 26.16451 11.13860 
1 1 1  -29   12    6 o  157.271   4.8874  172.498   9.8926  182.559   12.415  155.001   16.373  163.850   5.5914  150.693   8.0177 13.15709 9.774799 
1 1 1  -29   12    7 o  156.476   5.8072  166.538   12.314  166.538   12.314   0.0000   0.0000  156.476   5.8072  ?   ?       ?      ? 
1 1 1  -29   12    8 o  213.895   5.0893  321.029   13.805  340.572   17.083  284.248   23.436  223.796   5.6329  203.995   8.4778 19.80125 10.17855 
1 1 1  -29   12    9 o  218.693   4.9392  319.534   13.741  308.191   16.625  343.988   24.410  212.877   5.7630  224.510   8.0232 -11.63382 9.878480 
1 1 1  -29   12   10 o  130.166   6.1490  115.769   10.604  115.758   16.866  115.776   13.635  130.046   9.5707  130.286   7.7228 -0.2395477 12.29794 
1 1 1  -29   12   11 o  178.477   4.9954  220.387   11.504  228.742   14.391  205.594   19.149  183.397   5.7904  173.557   8.1417 9.840393 9.990853 
1 1 1  -29   12   12 o  156.413   4.9016  166.796   9.9924  167.196   12.532  166.096   16.558  156.785   5.8982  156.041   7.8304 0.7439575 9.803257 
1 1 1  -29   12   13 o  115.691   5.1998   91.587   7.9922   93.118   10.379   89.356   12.528  116.955   6.5484  114.428   8.0790 2.526711 10.39960 
1 1 1  -29   12   14 o  138.609   5.5961  130.957   10.487  143.519   15.078  119.185   14.596  145.071   7.6699  132.146   8.1508 12.92429 11.19212 
1 1 1  -29   12   15 o  141.380   5.6183  136.432   10.729  151.048   15.342  122.441   15.010  148.835   7.6065  133.925   8.2706 14.90991 11.23660 
1 1 1  -29   12   16 o  124.696   5.2459  108.408   8.5616  116.969   11.049   95.540   13.545  131.111   6.2186  118.282   8.4503 12.82907 10.49183 
1 1 1  -29   12   17 o  164.565   4.8658  179.074   10.430  166.228   12.871  203.651   17.803  156.312   6.0761  172.818   7.6017 -16.50529 9.731660 
1 1 1  -29   12   18 o  175.587   5.0064  208.809   11.372  205.921   14.074  214.243   19.302  173.988   5.9691  177.186   8.0389 -3.197952 10.01271 
1 1 1  -29   12   19 o  129.835   5.0779  112.644   8.7447  104.748   11.115  125.475   14.168  124.034   6.6125  135.635   7.7080 -11.60051 10.15573 
1 1 1  -29   12   20 o  219.217   5.8314  326.853   17.323  326.853   17.323   0.0000   0.0000  219.217   5.8314  ?   ?       ?      ? 
1 1 1  -29   12   21 o  219.367   5.1306  324.398   14.323  317.730   17.394  338.442   25.244  216.118   5.9392  222.617   8.3678 -6.498688 10.26126 
1 1 1  -29   12   22 o  153.011   5.3648  166.869   10.515  187.656   13.426  133.885   16.912  166.084   5.9654  139.937   8.9185 26.14664 10.72965 
1 1 1  -29   12   23 o  160.111   5.4185  174.261   11.658  170.322   15.440  179.484   17.781  158.076   7.2078  162.147   8.0924 -4.070343 10.83692 
1 1 1  -29   12   24 o  215.700   5.4907  314.299   15.773  301.262   20.313  334.095   25.031  210.240   7.1298  221.159   8.3521 -10.91844 10.98143 
1 1 1  -29   12   25 o  214.176   5.5099  310.647   15.721  300.575   20.295  325.759   24.858  209.992   7.1318  218.360   8.4007 -8.368484 11.01973 
1 1 1  -29   12   26 o  122.547   5.8974  102.898   9.7638  108.131   13.532   97.215   14.102  125.855   7.9344  119.240   8.7271 6.615143 11.79478 
1 1 1  -29   12   27 f  187.403   5.4944  238.302   13.759  231.598   17.908  247.962   21.497  184.306   7.1703  190.500   8.3271 -6.194031 10.98879 
1 1 1  -29   12   28 o  190.106   5.5992  249.209   14.192  262.579   18.786  231.433   21.662  196.254   7.0637  183.958   8.6895 12.29604 11.19833 
1 1 1  -29   12   29 o  166.503   5.7869  189.742   13.020  194.142   17.879  184.773   18.999  168.622   7.8242  164.384   8.5286 4.237366 11.57390 
1 1 1  -29   12   30 o  104.482   5.7814   73.246   8.0609   67.339   10.374   82.248   12.807   99.312   7.7081  109.653   8.6187 -10.34100 11.56271 
1 1 1  -29   12   31 o   65.041   7.9431   29.367   6.8445   27.683   9.1840   31.471   10.265   62.487   11.260   67.595   11.206 -5.107262 15.88614 
1 1 1  -29   12   32 o  170.956   5.3548  201.979   11.767  207.559   14.615  191.699   19.838  174.573   6.1779  167.339   8.7482 7.233856 10.70965 
1 1 1  -29   12   33 o  243.578   6.1034  414.632   19.718  479.608   26.857  338.655   29.042  265.024   7.4782  222.132   9.6480 42.89221 12.20684 
1 1 1  -29   12   34 o  218.479   6.1327  325.165   18.157  325.165   18.157   0.0000   0.0000  218.479   6.1327  ?   ?       ?      ? 
1 1 1  -29   12   35 o  221.029   6.1126  332.841   18.309  332.841   18.309   0.0000   0.0000  221.029   6.1126  ?   ?       ?      ? 
1 1 1  -29   12   36 o  142.584   5.4634  135.805   10.123  128.320   12.491  150.133   17.281  137.146   6.7209  148.021   8.6154 -10.87529 10.92677 
1 1 1  -29   12   37 o  150.301   5.7173  161.746   10.893  178.846   13.679  132.100   18.011  161.972   6.2319  138.630   9.5872 23.34193 11.43466 
1 1 1  -29   12   38 o  152.636   5.3709  154.502   10.575  144.456   12.910  174.993   18.437  145.506   6.5472  159.766   8.5160 -14.25999 10.74188 
1 1 1  -29   12   39 o   91.326   6.5040   55.087   7.8848   46.136   10.010   69.722   12.800   81.957   9.0125  100.695   9.3800 -18.73759 13.00809 
1 1 1  -29   12   40 o  179.608   6.1467  225.486   14.679  260.617   20.107  185.398   21.479  195.136   7.6037  164.080   9.6599 31.05571 12.29349 
1 1 1  -29   12   41 o  199.046   6.8885  266.354   18.286  311.555   29.205  237.207   23.452  212.450   10.144  185.642   9.3222 26.80824 13.77696 
1 1 1  -29   12   42 o  148.055   6.6098  151.629   11.840  149.510   22.445  152.446   13.936  146.783   11.284  149.326   6.8871 -2.543060 13.21960 
1 1 1  -29   12   43 o  127.828   5.6106  112.539   9.5590  109.523   14.816  114.690   12.511  126.204   8.6631  129.453   7.1320 -3.248344 11.22119 
1 1 1  -29   12   44 o  130.944   6.6040  112.636   10.606  131.736   20.455  105.613   12.404  137.736   10.959  124.152   7.3724 13.58413 13.20792 
1 1 1  -29   12   45 o   94.836   6.2707   59.953   7.9259   75.273   12.619   49.971   10.186  104.507   8.9102   85.164   8.8258 19.34307 12.54141 
1 1 1  -29   12   46 o  132.260   5.3111  118.579   9.4541  132.993   14.436  107.753   12.510  139.180   7.6539  125.339   7.3654 13.84057 10.62216 
1 1 1  -29   12   47 o  109.516   8.6734   82.718   12.872   82.718   12.872   0.0000   0.0000  109.516   8.6734  ?   ?       ?      ? 
1 1 1  -29   12   48 o  181.258   5.1077  227.470   12.432  203.713   18.174  248.363   17.044  172.094   7.7929  190.421   6.6048 -18.32722 10.21531 
1 1 1  -29   12   49 o  153.103   7.5058  163.763   15.545  154.014   22.106  173.299   21.863  148.431   10.990  157.776   10.226 -9.345093 15.01155 
1 1 1  -29   12   50 o   72.702   11.180   39.523   10.699   41.060   15.325   38.060   14.944   74.135   15.741   71.269   15.880 2.865883 22.35921 
1 1 1  -29   12   51 o   35.091   10.022   0.9184   7.4597  -5.1722   9.2563   12.204   12.600   26.066   11.877   44.115   16.145 -18.04837 20.04352 
1 1 1  -29   12   52 o   38.777   9.6343   9.7382   6.2154   10.254   9.5929   9.3650   8.1597   39.844   14.151   37.710   13.078 2.134418 19.26866 
1 1 1  -29   12   53 o   59.927   8.6090   26.227   6.6702   26.772   10.375   25.843   8.7085   60.159   13.098   59.694   11.176 0.4656372 17.21796 
1 1 1  -29   12   54 o   31.623   8.9944   2.8909   5.9013   7.4648   9.3478  -0.1401   7.6094   36.457   13.796   26.788   11.544 9.668499 17.98887 
1 1 1  -29   12   55 o   88.217   6.2861   54.942   7.4017   48.729   11.041   60.014   9.9754   83.373   9.7721   93.062   7.9100 -9.689842 12.57228 
1 1 1  -29   12   56 o   73.120   8.3448   37.996   8.0416   33.220   10.634   44.377   12.291   67.285   12.107   78.955   11.487 -11.66908 16.68964 
1 1 1  -29   12   57 o   85.662   7.3296   50.594   8.3965   43.814   10.863   60.657   13.234   78.776   10.176   92.549   10.552 -13.77309 14.65920 
1 1 1  -29   12   58 o   73.661   10.050   40.050   9.5549   47.322   15.026   35.113   12.380   79.102   14.554   68.219   13.864 10.88280 20.10084 
1 1 1  -29   12   59 o   60.633   9.5137   27.453   7.5825   23.963   10.091   31.979   11.491   56.188   13.435   65.078   13.474 -8.890564 19.02731 
1 1 1  -29   12   60 o   32.054   9.3437   3.4200   6.5751   4.7108   8.8524   1.8315   9.8199   32.711   13.117   31.398   13.310 1.312952 18.68743 
1 1 1  -29   12   61 o   39.669   9.8946   10.675   6.8238   14.378   9.3118   6.3788   10.029   43.847   13.937   35.490   14.049 8.356403 19.78919 
1 1 1  -29   12   62 o   69.017   9.1801   38.714   8.0862   52.511   10.820   21.260   12.170   86.068   9.2770   51.966   15.844 34.10176 18.36016 
1 1 1  -29   12   63 o   43.088   14.159   13.903   9.5624   13.903   9.5624   0.0000   0.0000   43.088   14.159  ?   ?       ?      ? 
1 1 1  -29   12   64 o   50.995   16.951   20.720   13.691   20.720   13.691   0.0000   0.0000   50.995   16.951  ?   ?       ?      ? 
1 1 1  -29   12   65 o   78.736   9.9068   48.783   10.039   40.375   15.209   55.275   13.364   70.552   16.244   86.920   11.345 -16.36848 19.81352 
1 1 1  -29   12   66 o   68.435   10.355   37.616   9.4012   30.782   14.320   42.793   12.464   60.911   16.802   75.958   12.108 -15.04737 20.71044 
1 1 1  -29   12   67 o   56.325   11.352   26.588   9.2276   21.324   14.256   30.384   12.106   51.045   17.299   61.605   14.705 -10.55931 22.70417 
1 1 1  -29   12   68 o   64.883   9.2872   36.219   9.7910  -0.0775   14.665   65.412   13.152   34.907   15.503   94.859   10.231 -59.95237 18.57438 
1 1 1  -29   12   69 o   44.736   10.556   14.409   8.7509   0.1499   13.179   25.652   11.703   33.421   14.777   56.052   15.078 -22.63052 21.11152 
1 1 1  -29   12   70 o   74.353   10.420   46.174   10.291   25.140   14.717   66.294   14.394   54.146   17.554   94.559   11.233 -40.41264 20.84038 
1 1 1  -29   12   71 o   49.312   15.962   20.142   12.173   0.0000   0.0000   20.142   12.173  ?   ?    49.312   15.962      ?      ? 
1 1 1  -29   12   72 o   73.572   14.120   43.349   13.565   0.0000   0.0000   43.349   13.565  ?   ?    73.572   14.120      ?      ? 
1 1 1  -29   12   73 o   60.006   15.837   30.516   13.067   0.0000   0.0000   30.516   13.067  ?   ?    60.006   15.837      ?      ? 
1 1 1  -29   12   74 o   70.594   14.835   41.118   13.741   0.0000   0.0000   41.118   13.741  ?   ?    70.594   14.835      ?      ? 
1 1 1  -29   12   75 o   40.411   15.669   11.929   12.259   0.0000   0.0000   11.929   12.259  ?   ?    40.411   15.669      ?      ? 
1 1 1  -29   13    1 o   97.981   4.7663   64.033   6.1796   59.093   7.8106   72.301   10.104   93.100   6.1909  102.863   7.2487 -9.762787 9.532612 
1 1 1  -29   13    2 o  155.680   5.3062  165.133   11.171  157.450   15.210  174.131   16.461  151.782   7.3948  159.578   7.6118 -7.796555 10.61237 
1 1 1  -29   13    3 o   87.544   5.3651   51.691   6.2330   49.117   7.9559   55.783   10.030   84.825   6.9213   90.263   8.1996 -5.438332 10.73025 
1 1 1  -29   13    4 o  160.117   4.6856  170.329   9.6271  161.414   11.711  188.913   16.908  153.974   5.6125  166.260   7.5046 -12.28569 9.371154 
1 1 1  -29   13    5 o   50.924   7.9729   18.609   5.3168   18.293   8.1098   18.847   7.0411   50.427   12.035   51.420   10.461 -0.9927063 15.94575 
1 1 1  -29   13    6 o  123.514   9.1599  104.660   15.332  104.660   15.332   0.0000   0.0000  123.514   9.1599  ?   ?       ?      ? 
1 1 1  -29   13    7 o  190.984   4.9902  253.210   12.146  262.202   14.988  236.011   20.729  196.259   5.6356  185.709   8.2369 10.55002 9.980330 
1 1 1  -29   13    8 o  177.152   4.9337  214.861   11.203  216.379   13.796  211.924   19.195  178.280   5.7106  176.025   8.0470 2.254761 9.867342 
1 1 1  -29   13    9 o  102.164   5.3594   70.544   7.3111   67.098   9.4620   75.649   11.517   99.158   7.0416  105.169   8.0814 -6.010689 10.71877 
1 1 1  -29   13   10 o  191.393   5.0322  254.030   12.298  262.703   15.198  237.583   20.929  196.446   5.7091  186.339   8.2884 10.10735 10.06435 
1 1 1  -29   13   11 o  208.546   4.9681  290.867   13.221  279.883   16.038  314.161   23.356  202.750   5.8371  214.343   8.0409 -11.59299 9.936169 
1 1 1  -29   13   12 o  183.380   5.0959  235.666   11.951  250.052   14.912  209.837   19.981  191.658   5.7415  175.102   8.4206 16.55545 10.19174 
1 1 1  -29   13   13 o  219.223   5.5638  328.749   16.381  330.529   21.796  326.438   24.832  220.036   7.3098  218.411   8.3898 1.625351 11.12753 
1 1 1  -29   13   14 o  191.457   5.5963  251.689   14.444  265.165   19.801  236.362   21.117  197.062   7.4146  185.852   8.3845 11.20996 11.19268 
1 1 1  -29   13   15 o  202.313   5.1529  283.470   13.339  292.383   16.507  266.697   22.644  207.225   5.8782  197.400   8.4650 9.825195 10.30581 
1 1 1  -29   13   16 o  224.337   5.1234  338.360   14.561  329.317   17.586  358.076   25.968  219.920   5.9011  228.753   8.3769 -8.833481 10.24671 
1 1 1  -29   13   17 o  196.000   5.0155  255.938   12.602  243.832   15.330  281.173   22.134  189.222   5.9784  202.779   8.0547 -13.55649 10.03094 
1 1 1  -29   13   18 o  213.258   5.8889  309.674   17.018  309.674   17.018   0.0000   0.0000  213.258   5.8889  ?   ?       ?      ? 
1 1 1  -29   13   19 o  187.212   5.9442  238.678   15.080  238.678   15.080   0.0000   0.0000  187.212   5.9442  ?   ?       ?      ? 
1 1 1  -29   13   20 o   99.703   5.7335   67.868   7.6130   67.314   9.8744   68.680   11.954   99.287   7.3390  100.119   8.8108 -0.8316879 11.46695 
1 1 1  -29   13   21 o  182.081   5.0786  223.902   11.896  218.781   14.601  234.015   20.518  179.221   6.0119  184.942   8.1869 -5.721115 10.15714 
1 1 1  -29   13   22 o  195.283   5.0785  257.670   12.692  252.339   15.500  268.518   22.111  192.482   5.9425  198.085   8.2372 -5.603394 10.15699 
1 1 1  -29   13   23 o  123.241   5.3161  103.517   8.6637  102.591   11.079  104.974   13.900  122.644   6.6661  123.838   8.2830 -1.194893 10.63223 
1 1 1  -29   13   24 o   60.938   7.8023   26.179   6.2609   27.408   8.5000   24.722   9.2569   63.132   9.9355   58.745   12.033 4.387020 15.60468 
1 1 1  -29   13   25 o  150.267   5.2624  156.771   10.206  163.004   12.781  145.800   16.957  154.664   6.0978  145.870   8.5784 8.793945 10.52485 
1 1 1  -29   13   26 o   84.724   6.4658   50.711   7.1942   57.926   9.5588   41.285   10.926   92.041   7.6637   77.406   10.416 14.63482 12.93163 
1 1 1  -29   13   27 o  152.491   5.7192  158.222   11.770  139.935   16.018  179.687   17.354  142.936   8.2695  162.046   7.9027 -19.11031 11.43841 
1 1 1  -29   13   28 o   92.900   6.8828   59.642   8.6136   56.318   12.665   62.502   11.749   90.390   10.340   95.409   9.0873 -5.018585 13.76556 
1 1 1  -29   13   29 o  149.559   5.2993  151.977   10.350  149.328   12.953  156.655   17.212  147.945   6.4606  151.174   8.4019 -3.228424 10.59864 
1 1 1  -29   13   30 o  163.407   5.2623  181.386   11.157  178.412   13.851  186.880   18.828  161.724   6.3200  165.089   8.4158 -3.365555 10.52461 
1 1 1  -29   13   31 o  133.098   6.1187  122.000   10.997  130.082   15.304  113.371   15.813  137.759   8.1980  128.438   9.0855 9.321289 12.23744 
1 1 1  -29   13   32 o  148.136   5.8719  150.865   11.754  156.715   16.235  144.420   17.040  151.242   7.9211  145.030   8.6701 6.212036 11.74370 
1 1 1  -29   13   33 o  123.420   8.6378  104.616   14.447  104.616   14.447   0.0000   0.0000  123.420   8.6378  ?   ?       ?      ? 
1 1 1  -29   13   34 o  149.214   8.0154  152.680   16.208  152.680   16.208   0.0000   0.0000  149.214   8.0154  ?   ?       ?      ? 
1 1 1  -29   13   35 o  152.626   6.0109  159.633   12.409  153.568   16.938  166.660   18.232  149.540   8.3585  155.712   8.6404 -6.172653 12.02171 
1 1 1  -29   13   36 f  122.670   5.6477  100.444   9.1694   91.086   11.574  116.220   15.027  115.314   7.4065  130.026   8.5282 -14.71217 11.29542 
1 1 1  -29   13   37 o   66.248   8.5965   33.149   7.2605   43.494   9.7975   20.548   10.813   79.443   9.1008   53.054   14.587 26.38903 17.19307 
1 1 1  -29   13   38 o  137.687   5.8023  135.272   10.266  149.613   13.076  112.227   16.576  147.925   6.5232  127.449   9.5977 20.47619 11.60468 
1 1 1  -29   13   39 o  124.900   5.7585  106.229   9.4659  103.078   11.954  111.524   15.499  122.640   7.1930  127.160   8.9947 -4.519661 11.51708 
1 1 1  -29   13   40 f  184.256   5.3522  230.431   12.655  225.020   15.493  241.281   21.939  181.410   6.3022  187.102   8.6526 -5.692444 10.70447 
1 1 1  -29   13   41 o  128.441   5.6000  108.698   9.4461   95.525   11.733  132.968   15.926  117.979   7.3387  138.903   8.4607 -20.92417 11.19996 
1 1 1  -29   13   42 o  146.808   6.1975  150.691   12.135  177.693   16.967  122.416   17.362  160.732   7.7895  132.884   9.6415 27.84784 12.39497 
1 1 1  -29   13   43 o  148.017   6.1108  152.309   12.171  163.766   16.703  139.342   17.770  154.193   7.9938  141.840   9.2448 12.35222 12.22158 
1 1 1  -29   13   44 o  200.536   5.2732  257.855   13.359  228.633   15.857  329.314   24.796  182.680   6.4052  218.392   8.3784 -35.71146 10.54633 
1 1 1  -29   13   45 o   76.446   7.7151   40.953   7.9876   41.733   11.178   40.138   11.418   77.244   10.678   75.649   11.138 1.594803 15.43018 
1 1 1  -29   13   46 o  112.308   5.6446   89.320   8.3522   73.770   12.631  101.403   11.134  103.102   9.0404  121.514   6.7614 -18.41262 11.28914 
1 1 1  -29   13   47 o   88.499   6.1867   52.956   7.3193   63.410   11.558   45.957   9.4570   95.564   8.9252   81.434   8.5697 14.13077 12.37332 
1 1 1  -29   13   48 o  139.443   6.5234  134.610   11.788  132.715   14.632  138.115   19.896  138.591   7.7909  140.294   10.465 -1.702530 13.04671 
1 1 1  -29   13   49 o   99.740   5.9425   69.828   7.8659   64.541   12.150   73.643   10.321   96.182   9.3215  103.299   7.3730 -7.117439 11.88491 
1 1 1  -29   13   50 o   46.273   8.7571   16.779   6.0395   7.1106   9.7394   22.820   7.6984   36.429   14.010   56.117   10.510 -19.68780 17.51412 
1 1 1  -29   13   51 o   35.165   9.2010   7.4242   5.7441   6.3061   9.2697   8.1211   7.3185   35.073   13.618   35.257   12.376 -0.1837311 18.40190 
1 1 1  -29   13   52 o   51.935   9.8360   20.427   7.1064   23.021   9.8787   17.645   10.231   55.350   13.329   48.520   14.468 6.830948 19.67206 
1 1 1  -29   13   53 o   94.529   6.8305   62.184   8.6930   56.770   11.519   69.346   13.249   89.877   9.4577   99.181   9.8577 -9.303879 13.66098 
1 1 1  -29   13   54 o   98.639   6.8062   67.797   9.0193   62.802   11.852   74.671   13.903   94.519   9.2532  102.760   9.9837 -8.241119 13.61230 
1 1 1  -29   13   55 o  111.144   6.6939   88.954   9.8394   99.638   13.153   75.379   14.827  119.462   8.1249  102.826   10.640 16.63567 13.38776 
1 1 1  -29   13   56 f   63.337   10.954   30.689   9.1784   35.477   14.610   27.567   11.797   67.018   16.254   59.656   14.690 7.361683 21.90874 
1 1 1  -29   13   57 o  128.573   7.6900  119.177   13.314  114.317   19.690  123.270   18.071  125.673   11.561  131.473   10.143 -5.799667 15.38002 
1 1 1  -29   13   58 o  151.534   7.8853  160.778   16.192  160.778   16.192   0.0000   0.0000  151.534   7.8853  ?   ?       ?      ? 
1 1 1  -29   13   59 o   75.994   10.700   41.649   11.019   41.649   11.019   0.0000   0.0000   75.994   10.700  ?   ?       ?      ? 
1 1 1  -29   13   60 o   78.703   8.2539   43.573   8.2880   30.541   10.619   63.881   13.256   63.250   12.828   94.157   10.389 -30.90660 16.50777 
1 1 1  -29   13   61 o  101.973   8.3321   78.727   11.081   61.411   16.610   92.612   14.875   90.236   13.584  113.710   9.6531 -23.47344 16.66419 
1 1 1  -29   13   62 o   77.390   14.661   47.090   14.812   47.090   14.812   0.0000   0.0000   77.390   14.661  ?   ?       ?      ? 
1 1 1  -29   13   63 o   24.729   8.2638  -9.3867   7.2500 -12.2228   11.210  -7.3473   9.5056   24.893   11.884   24.565   11.486 0.3275661 16.52765 
1 1 1  -29   13   64 o   43.828   10.675   14.434   8.3317   4.9516   12.974   21.089   10.869   36.468   15.371   51.189   14.819 -14.72044 21.35080 
1 1 1  -29   13   65 o   62.277   10.927   32.689   9.3281   24.776   14.231   38.651   12.352   54.203   17.229   70.352   13.446 -16.14902 21.85461 
1 1 1  -29   13   66 o   51.696   10.141   21.635   8.9095   2.7402   13.456   36.385   11.889   35.240   15.269   68.152   13.351 -32.91199 20.28224 
1 1 1  -29   13   67 o   39.696   11.085   10.057   8.7174   10.030   13.629   10.075   11.341   40.384   16.247   39.008   15.086 1.376236 22.17068 
1 1 1  -29   13   68 o  100.050   8.9643   78.138   11.722   60.604   17.284   93.069   15.950   87.606   14.559  112.493   10.463 -24.88670 17.92859 
1 1 1  -29   13   69 o   47.774   15.869   18.886   12.000   0.0000   0.0000   18.886   12.000  ?   ?    47.774   15.869      ?      ? 
1 1 1  -29   13   70 o   54.352   16.184   25.312   12.808   0.0000   0.0000   25.312   12.808  ?   ?    54.352   16.184      ?      ? 
1 1 1  -29   13   71 o   54.116   16.284   25.376   12.917   0.0000   0.0000   25.376   12.917  ?   ?    54.116   16.284      ?      ? 
1 1 1  -29   13   72 o   43.301   16.021   15.051   12.460   0.0000   0.0000   15.051   12.460  ?   ?    43.301   16.021      ?      ? 
1 1 1  -29   13   73 o   49.041   16.122   21.028   12.397   0.0000   0.0000   21.028   12.397  ?   ?    49.041   16.122      ?      ? 
1 1 1  -29   14    1 o  102.204   8.2337   71.819   11.404   0.0000   0.0000   71.819   11.404  ?   ?   102.204   8.2337      ?      ? 
1 1 1  -29   14    2 o  107.187   6.2664   80.672   8.9031   63.644   12.877   96.266   12.323   95.920   9.9065  118.454   7.6769 -22.53415 12.53285 
1 1 1  -29   14    3 o   92.381   5.7731   58.367   7.1855   50.132   9.8374   67.786   10.520   85.373   8.5031   99.390   7.8110 -14.01663 11.54623 
1 1 1  -29   14    4 o  117.819   5.5526   96.431   8.7503  106.684   11.917   84.435   12.890  124.844   7.0439  110.794   8.5853 14.04974 11.10512 
1 1 1  -29   14    5 o  121.700   7.2753  101.431   11.998  101.431   11.998   0.0000   0.0000  121.700   7.2753  ?   ?       ?      ? 
1 1 1  -29   14    6 o  127.607   5.4678  112.525   9.3722  120.791   12.764  102.854   13.806  132.852   7.0897  122.361   8.3262 10.49057 10.93569 
1 1 1  -29   14    7 o  109.902   5.6367   82.357   8.3491   71.154   11.371   95.460   12.298  101.795   8.2431  118.008   7.6903 -16.21243 11.27338 
1 1 1  -29   14    8 o   87.822   6.2336   53.389   7.2975   41.926   10.192   65.448   10.454   77.956   9.6475   97.688   7.8967 -19.73157 12.46723 
1 1 1  -29   14    9 o   75.606   6.6612   39.277   6.8139   41.678   9.9813   37.182   9.3249   77.756   9.4726   73.456   9.3677 4.300308 13.32234 
1 1 1  -29   14   10 o   54.439   8.1897   20.026   6.1243   33.799   9.4633   10.100   8.0333   69.961   9.9816   38.917   12.987 31.04468 16.37941 
1 1 1  -29   14   11 f   98.735   6.1134   67.018   8.1511   74.446   11.665   59.932   11.394  104.142   8.2658   93.328   9.0095 10.81459 12.22675 
1 1 1  -29   14   12 o  172.483   6.6965  202.065   15.100  216.165   25.239  194.205   18.844  176.758   10.537  168.209   8.2669 8.548584 13.39292 
1 1 1  -29   14   13 o   86.083   6.4488   51.095   7.5081   48.794   10.789   53.256   10.455   84.149   9.4615   88.017   8.7651 -3.867912 12.89759 
1 1 1  -29   14   14 o   43.953   8.2750   14.340   5.6765   3.3895   8.8270   22.063   7.4126   32.216   13.035   55.690   10.198 -23.47434 16.54995 
1 1 1  -29   14   15 o   52.035   8.8711   18.769   6.2667   27.277   9.6950   12.663   8.2132   61.618   12.043   42.452   13.029 19.16555 17.74223 
1 1 1  -29   14   16 o   84.785   6.7324   49.963   7.6663   44.033   11.104   55.364   10.597   79.821   10.265   89.750   8.7134 -9.929253 13.46481 
1 1 1  -29   14   17 o  160.649   7.4750  176.726   16.273  176.726   16.273   0.0000   0.0000  160.649   7.4750  ?   ?       ?      ? 
1 1 1  -29   14   18 o  118.658   8.1672   96.616   13.133   96.616   13.133   0.0000   0.0000  118.658   8.1672  ?   ?       ?      ? 
1 1 1  -29   14   19 o   56.730   8.8089   24.041   6.8113   14.007   10.124   32.340   9.2067   45.019   14.555   68.441   9.9267 -23.42174 17.61778 
1 1 1  -29   14   20 o   72.439   7.8687   37.460   7.4039   31.144   10.769   43.120   10.195   65.794   12.536   79.084   9.5135 -13.28941 15.73750 
1 1 1  -29   14   21 o   79.704   7.1021   43.946   7.6504   43.079   11.169   44.712   10.500   78.899   10.446   80.508   9.6244 -1.608788 14.20420 
1 1 1  -29   14   22 o  109.444   6.2425   82.399   9.2459   88.202   13.200   76.810   12.955  113.269   8.5995  105.619   9.0512 7.649773 12.48507 
1 1 1  -29   14   23 o  122.380   5.3598  100.220   8.7409   90.153   11.192  115.962   13.996  114.756   7.1970  130.004   7.9443 -15.24770 10.71958 
1 1 1  -29   14   24 o  103.833   5.8437   74.957   8.0344   78.848   10.480   69.411   12.513  107.311   7.2069  100.356   9.2008 6.955139 11.68735 
1 1 1  -29   14   25 o  112.930   5.5915   87.987   8.3140   89.566   10.630   85.498   13.342  114.421   6.8556  111.440   8.8350 2.980751 11.18292 
1 1 1  -29   14   26 o   92.450   6.8842   58.614   8.5396   71.167   12.635   48.057   11.587  101.595   9.1772   83.305   10.264 18.28968 13.76835 
1 1 1  -29   14   27 o  114.502   5.6709   90.915   8.5540   94.031   10.998   86.143   13.609  117.207   6.9244  111.798   8.9827 5.409058 11.34184 
1 1 1  -29   14   28 o   81.184   6.4676   44.454   7.0351   37.636   9.2029   54.041   10.912   73.853   9.1954   88.515   9.0974 -14.66135 12.93515 
1 1 1  -29   14   29 o  125.186   5.5809  109.668   9.1100  115.977   11.620   99.604   14.676  130.206   6.5854  120.167   9.0122 10.03925 11.16188 
1 1 1  -29   14   30 o   79.623   6.5729   43.386   7.0267   40.946   9.2288   46.752   10.839   77.058   8.8378   82.189   9.7316 -5.130676 13.14576 
1 1 1  -29   14   31 o   80.621   6.6921   45.818   7.1348   50.107   9.4240   40.058   10.921   85.339   8.1489   75.902   10.618 9.436981 13.38426 
1 1 1  -29   14   32 o   54.900   11.397   21.778   8.2014   21.778   8.2014   0.0000   0.0000   54.900   11.397  ?   ?       ?      ? 
1 1 1  -29   14   33 o   62.384   8.0339   28.196   6.4834   30.713   8.5221   24.737   9.9897   66.604   9.4420   58.164   13.001 8.439548 16.06779 
1 1 1  -29   14   34 o   96.463   6.1752   65.585   7.7800   70.038   9.9827   58.695   12.416  100.996   7.2939   91.931   9.9666 9.064812 12.35049 
1 1 1  -29   14   35 o  121.126   5.5493  100.211   8.8047   97.982   11.058  104.069   14.552  119.533   6.8269  122.719   8.7505 -3.186417 11.09854 
1 1 1  -29   14   36 o   79.851   6.6563   43.440   7.1280   38.922   9.2985   49.879   11.100   74.956   9.1543   84.746   9.6656 -9.789879 13.31260 
1 1 1  -29   14   37 o   87.551   6.3014   52.246   7.3351   49.035   9.3834   57.291   11.762   84.288   8.2151   90.814   9.5573 -6.526314 12.60275 
1 1 1  -29   14   38 o  103.830   5.8221   72.323   8.0144   64.826   10.142   84.792   13.079   96.991   7.7160  110.670   8.7208 -13.67892 11.64429 
1 1 1  -29   14   39 o   93.595   6.4798   63.476   7.8101   72.711   10.126   49.913   12.271  102.790   7.2693   84.401   10.729 18.38890 12.95967 
1 1 1  -29   14   40 o   78.901   7.9772   48.000   7.5831   62.193   10.064   29.361   11.534   94.917   7.8243   62.884   13.904 32.03373 15.95432 
1 1 1  -29   14   41 o   93.734   6.9847   61.455   8.8295   54.141   12.368   69.056   12.609   87.891   10.385   99.577   9.3438 -11.68665 13.96948 
1 1 1  -29   14   42 o   27.086   8.2404  -1.8197   5.7092  -6.9274   7.8251   3.9941   8.3484   22.397   10.456   31.776   12.739 -9.379120 16.48074 
1 1 1  -29   14   43 o   41.552   9.6131   12.217   6.2529   13.346   8.4536   10.854   9.2915   42.920   13.226   40.185   13.954 2.735615 19.22627 
1 1 1  -29   14   44 o  100.093   6.0915   66.515   8.0498   56.062   10.089   84.830   13.354   89.862   8.2847  110.324   8.9324 -20.46226 12.18293 
1 1 1  -29   14   45 o  129.954   5.6647  117.466   9.5044  118.171   11.805  116.165   16.024  130.984   6.6507  128.925   9.1719 2.058838 11.32943 
1 1 1  -29   14   46 o   87.334   9.5913   53.533   11.351   53.533   11.351   0.0000   0.0000   87.334   9.5913  ?   ?       ?      ? 
1 1 1  -29   14   47 f   79.253   9.8876   44.251   10.619   44.251   10.619   0.0000   0.0000   79.253   9.8876  ?   ?       ?      ? 
1 1 1  -29   14   48 o   44.450   9.9538   14.552   6.7417   15.801   9.4185   13.239   9.6544   46.008   13.919   42.892   14.233 3.116337 19.90755 
1 1 1  -29   14   49 o  102.571   6.5653   73.979   9.0763   73.686   12.216   74.340   13.560  102.539   8.7916  102.602   9.7530 -0.6265259E-01 13.13058 
1 1 1  -29   14   50 o   72.516   8.1536   38.712   7.7091   43.090   10.551   33.698   11.291   77.962   9.9870   67.070   12.891 10.89229 16.30722 
1 1 1  -29   14   51 o   55.198   9.5143   23.164   7.0629   20.569   9.7393   26.042   10.258   51.849   13.668   58.548   13.239 -6.699589 19.02852 
1 1 1  -29   14   52 o   66.686   8.6965   33.688   7.5412   40.692   10.369   25.823   10.988   75.553   10.127   57.819   14.141 17.73330 17.39309 
1 1 1  -29   14   53 o   66.598   8.5681   32.650   7.5638   29.860   10.316   35.894   11.124   62.913   12.540   70.283   11.679 -7.369358 17.13616 
1 1 1  -29   14   54 o   46.083   9.3506   15.190   6.7313   6.2432   9.1920   25.536   9.8848   34.368   13.499   57.799   12.942 -23.43183 18.70119 
1 1 1  -29   14   55 o  135.008   7.4153  125.791   13.275  163.057   21.572  103.080   16.841  150.341   10.588  119.674   10.384 30.66732 14.83068 
1 1 1  -29   14   56 o  135.337   7.4494  135.648   13.253  107.611   19.641  159.087   17.958  120.921   11.986  149.752   8.8493 -28.83121 14.89883 
1 1 1  -29   14   57 o   41.871   10.163   8.4421   7.6082   24.633   12.571  -0.9153   9.5572   55.123   15.931   28.620   12.622 26.50356 20.32541 
1 1 1  -29   14   58 o   55.551   10.204   21.975   8.0091   38.705   13.181   12.182   10.084   70.156   14.348   40.946   14.513 29.21050 20.40789 
1 1 1  -29   14   59 o   67.676   10.150   36.562   8.9361   33.797   13.697   38.610   11.791   64.358   15.818   70.994   12.723 -6.636017 20.29984 
1 1 1  -29   14   60 o   38.975   15.561   8.8732   12.399   8.8732   12.399   0.0000   0.0000   38.975   15.561  ?   ?       ?      ? 
1 1 1  -29   14   61 o   34.759   14.788   3.7143   12.196   3.7143   12.196   0.0000   0.0000   34.759   14.788  ?   ?       ?      ? 
1 1 1  -29   14   62 o   42.326   11.049   13.190   8.3357   12.732   12.737   13.533   11.025   42.282   16.079   42.370   15.157 -0.8709717E-01 22.09706 
1 1 1  -29   14   63 o   51.573   11.148   22.284   9.1669   12.060   13.735   30.498   12.310   42.068   16.509   61.078   14.985 -19.00940 22.29572 
1 1 1  -29   14   64 o   30.024   13.490  -1.9718   11.450   0.0000   0.0000  -1.9718   11.450  ?   ?    30.024   13.490      ?      ? 
1 1 1  -29   14   66 o   56.438   17.980   28.420   15.492   28.420   15.492   0.0000   0.0000   56.438   17.980  ?   ?       ?      ? 
1 1 1  -29   14   67 o   46.612   16.555   18.080   13.129   18.080   13.129   0.0000   0.0000   46.612   16.555  ?   ?       ?      ? 
1 1 1  -29   14   68 o   26.314   12.339  -7.5642   11.103   0.0000   0.0000  -7.5642   11.103  ?   ?    26.314   12.339      ?      ? 
1 1 1  -29   14   69 o   35.602   14.657   6.9615   11.400   0.0000   0.0000   6.9615   11.400  ?   ?    35.602   14.657      ?      ? 
1 1 1  -29   14   70 o   24.156   11.605 -12.0211   11.060   0.0000   0.0000 -12.0211   11.060  ?   ?    24.156   11.605      ?      ? 
1 1 1  -29   14   71 o   62.655   15.793   34.574   13.405   0.0000   0.0000   34.574   13.405  ?   ?    62.655   15.793      ?      ? 
1 1 1  -29   14   72 f   36.665   15.137   8.4760   12.203   0.0000   0.0000   8.4760   12.203  ?   ?    36.665   15.137      ?      ? 
1 1 1  -29   15    1 o  118.639   4.9253   95.806   7.4976   93.874   9.1851   99.663   12.979  117.125   5.7870  120.153   7.9715 -3.027657 9.850558 
1 1 1  -29   15    2 o   90.341   5.3038   53.444   6.2832   45.961   7.7777   67.503   10.660   81.776   7.0185   98.906   7.9537 -17.13027 10.60760 
1 1 1  -29   15    3 o  121.553   5.8150  101.080   9.5785  101.080   9.5785   0.0000   0.0000  121.553   5.8150  ?   ?       ?      ? 
1 1 1  -29   15    4 o   74.140   7.3503   37.810   7.3848   37.810   7.3848   0.0000   0.0000   74.140   7.3503  ?   ?       ?      ? 
1 1 1  -29   15    5 o  106.848   5.1031   75.676   7.1413   68.370   8.8517   89.298   12.086   99.861   6.5411  113.836   7.8347 -13.97511 10.20630 
1 1 1  -29   15    6 o  206.564   5.1473  297.905   13.278  305.710   16.063  281.066   23.594  211.505   5.6044  201.624   8.6354 9.881104 10.29469 
1 1 1  -29   15    7 o  125.151   5.0536  105.065   8.2210   99.116   10.145  116.442   14.030  120.319   6.2222  129.982   7.9650 -9.663368 10.10730 
1 1 1  -29   15    8 o   52.282   7.7470   19.328   5.2962   15.287   7.0014   24.735   8.0974   45.837   11.335   58.728   10.563 -12.89080 15.49400 
1 1 1  -29   15    9 o   63.756   6.8368   27.633   5.6563   21.292   7.3359   36.931   8.8828   54.460   10.318   73.052   8.9729 -18.59121 13.67366 
1 1 1  -29   15   10 o   75.790   7.0075   39.777   7.1835   42.676   10.548   37.271   9.8098   78.351   9.9348   73.230   9.8852 5.120384 14.01493 
1 1 1  -29   15   11 o   40.729   9.4597   11.208   5.9601   12.989   9.3319   9.9805   7.7457   43.105   13.978   38.353   12.750 4.751957 18.91937 
1 1 1  -29   15   12 o   71.950   6.3848   35.539   6.1478   34.106   8.0159   37.585   9.5803   70.302   8.4140   73.599   9.6056 -3.296822 12.76958 
1 1 1  -29   15   13 o  100.286   5.5202   68.214   7.2822   65.204   9.1621   73.377   12.000   97.491   6.9350  103.081   8.5905 -5.589920 11.04046 
1 1 1  -29   15   14 o  103.981   5.2787   70.946   7.2561   59.185   9.1239   91.185   11.969   92.830   7.2529  115.132   7.6717 -22.30219 10.55743 
1 1 1  -29   15   15 o   94.033   5.7943   62.312   7.1498   67.616   9.2904   54.609   11.197   99.283   6.9052   88.783   9.3067 10.50026 11.58866 
1 1 1  -29   15   16 o   80.599   7.8926   44.729   8.6205   44.729   8.6205   0.0000   0.0000   80.599   7.8926  ?   ?       ?      ? 
1 1 1  -29   15   17 o   56.518   7.7806   23.001   5.7754   24.859   7.7309   20.653   8.6879   59.867   9.5293   53.169   12.302 6.698063 15.56114 
1 1 1  -29   15   18 o   60.401   7.6527   25.082   6.0405   19.354   7.8667   33.312   9.4290   51.596   11.540   69.207   10.054 -17.61095 15.30541 
1 1 1  -29   15   19 o   74.079   6.5675   37.945   6.4699   37.599   8.3676   38.459   10.202   73.815   8.3652   74.343   10.127 -0.5276413 13.13503 
1 1 1  -29   15   20 o   66.164   7.6195   32.183   6.3956   37.269   8.4403   25.325   9.8011   73.467   8.4778   58.861   12.663 14.60635 15.23906 
1 1 1  -29   15   21 o   61.934   7.6039   26.354   6.0906   18.279   7.9516   37.816   9.4738   50.042   11.900   73.826   9.4696 -23.78389 15.20774 
1 1 1  -29   15   22 o  142.883   5.3265  141.392   9.8049  143.595   12.174  137.324   16.542  144.825   6.2031  140.940   8.6608 3.885239 10.65308 
1 1 1  -29   15   23 o  206.036   5.1412  280.626   13.330  263.180   15.892  322.016   24.479  196.126   5.9796  215.945   8.3649 -19.81900 10.28234 
1 1 1  -29   15   24 o  106.336   6.3519   78.336   9.1523   79.186   12.910   77.478   12.976  106.935   8.9092  105.737   9.0561 1.197601 12.70380 
1 1 1  -29   15   25 o   84.150   7.0945   49.341   8.0884   49.271   11.555   49.408   11.326   84.066   10.143   84.234   9.9221 -0.1683426 14.18902 
1 1 1  -29   15   26 o  110.181   5.6380   83.089   8.1247   81.261   10.184   86.290   13.476  108.772   6.9089  111.590   8.9116 -2.817589 11.27605 
1 1 1  -29   15   27 o   87.899   6.1046   52.297   7.1206   48.006   9.0472   59.280   11.543   83.398   8.0053   92.399   9.2183 -9.000755 12.20910 
1 1 1  -29   15   28 o  121.758   5.7199  105.380   8.9627  113.468   11.326   91.826   14.661  128.604   6.4986  114.912   9.4147 13.69170 11.43974 
1 1 1  -29   15   29 o   87.590   6.1247   51.974   7.1597   46.697   9.2031   60.065   11.395   82.171   8.2647   93.009   9.0412 -10.83710 12.24943 
1 1 1  -29   15   30 o   74.885   8.4250   38.831   8.5496   38.831   8.5496   0.0000   0.0000   74.885   8.4250  ?   ?       ?      ? 
1 1 1  -29   15   31 o   28.126   8.2319   0.1712   5.3033  -4.1241   6.9912   5.9926   8.1390   22.588   10.304   33.664   12.841 -11.07532 16.46377 
1 1 1  -29   15   32 o   44.589   9.2055   14.668   5.9097   16.003   7.7263   12.787   9.1740   46.640   12.115   42.538   13.863 4.102253 18.41093 
1 1 1  -29   15   33 o   91.852   6.2081   59.929   7.3727   63.569   9.3220   53.850   12.048   96.044   7.1623   87.660   10.142 8.383698 12.41612 
1 1 1  -29   15   34 o   70.845   7.3870   33.319   6.6408   23.096   8.3448   50.976   10.966   56.254   11.338   85.436   9.4720 -29.18231 14.77406 
1 1 1  -29   15   35 o   61.617   8.3555   28.494   6.5840   32.044   8.4740   23.086   10.459   67.763   9.2281   55.471   13.932 12.29219 16.71105 
1 1 1  -29   15   36 o   91.236   6.4934   60.124   7.6421   66.385   9.7826   50.319   12.241   98.026   7.3643   84.446   10.697 13.57961 12.98688 
1 1 1  -29   15   37 o  111.059   5.5892   80.556   8.1275   67.115   10.034  106.200   13.859   98.492   7.5177  123.627   8.2728 -25.13401 11.17831 
1 1 1  -29   15   38 f   56.215   8.6395   23.219   6.7785   11.377   9.3671   36.237   9.8216   40.694   14.018   71.736   10.103 -31.04150 17.27909 
1 1 1  -29   15   39 o  108.446   7.8112   84.844   11.057   78.032   17.767   89.150   14.126  104.084   12.597  112.808   9.2403 -8.723694 15.62234 
1 1 1  -29   15   40 o  103.198   6.7569   76.014   9.2885   85.696   12.648   64.679   13.685  110.860   8.4191   95.535   10.571 15.32429 13.51374 
1 1 1  -29   15   41 o  131.001   6.0560  118.432   10.640  110.239   13.907  130.000   16.524  125.787   8.1586  136.215   8.9519 -10.42823 12.11199 
1 1 1  -29   15   42 o  144.320   5.8930  139.477   11.284  114.719   14.334  179.819   18.298  128.213   8.2502  160.426   8.4169 -32.21272 11.78602 
1 1 1  -29   15   43 o  113.027   6.2369   86.754   9.3981   71.659   12.110  109.611   14.902  101.053   8.8434  125.002   8.7971 -23.94974 12.47374 
1 1 1  -29   15   44 o   59.334   9.4268   26.144   7.3946   20.732   9.8049   33.282   11.261   52.095   13.704   66.574   12.948 -14.47887 18.85368 
1 1 1  -29   15   45 o   65.332   11.756   31.632   10.025   31.632   10.025   0.0000   0.0000   65.332   11.756  ?   ?       ?      ? 
1 1 1  -29   15   46 o  129.065   6.0536  115.665   10.453  108.639   13.579  125.885   16.377  124.586   8.0427  133.544   9.0497 -8.958855 12.10715 
1 1 1  -29   15   47 o  117.281   6.2104   93.387   9.6802   74.721   12.430  122.159   15.432  102.871   8.9163  131.691   8.6473 -28.82011 12.42082 
1 1 1  -29   15   48 o   66.616   8.8448   33.392   7.7525   36.327   10.586   29.998   11.385   70.897   11.018   62.335   13.839 8.561489 17.68950 
1 1 1  -29   15   49 o  100.997   6.6134   69.722   8.8517   53.790   11.388   94.040   14.069   86.816   9.6797  115.178   9.0140 -28.36215 13.22688 
1 1 1  -29   15   50 f   65.683   8.5892   31.748   7.4037   24.057   9.9208   41.415   11.123   55.762   13.313   75.604   10.857 -19.84218 17.17848 
1 1 1  -29   15   51 o   68.095   9.7628   38.792   8.7978   20.124   13.360   53.084   11.690   50.272   16.746   85.918   10.040 -35.64657 19.52561 
1 1 1  -29   15   52 o   46.390   10.016   17.115   7.6139   6.1502   12.095   24.314   9.7994   36.805   15.119   55.976   13.143 -19.17062 20.03287 
1 1 1  -29   15   53 o   33.349   13.348   5.5302   9.1490   0.0000   0.0000   5.5302   9.1490  ?   ?    33.349   13.348      ?      ? 
1 1 1  -29   15   54 o   58.906   13.914   27.399   10.930   0.0000   0.0000   27.399   10.930  ?   ?    58.906   13.914      ?      ? 
1 1 1  -29   15   55 o   46.651   10.847   17.377   7.9661   14.737   12.566   19.150   10.300   44.322   16.138   48.980   14.497 -4.658051 21.69360 
1 1 1  -29   15   56 o   61.358   10.671   31.451   8.8710   25.034   13.795   35.975   11.584   54.611   16.907   68.105   13.026 -13.49356 21.34277 
1 1 1  -29   15   57 o   64.768   10.673   33.960   9.0975   34.841   14.123   33.335   11.894   64.733   16.152   64.803   13.956 -0.7038116E-01 21.34650 
1 1 1  -29   15   58 o   33.819   10.039   3.6850   8.0003  -1.9167   12.135   7.9912   10.640   30.972   13.904   36.665   14.485 -5.692347 20.07839 
1 1 1  -29   15   59 o   31.118   13.964  -1.7434   12.228  -1.7434   12.228   0.0000   0.0000   31.118   13.964  ?   ?       ?      ? 
1 1 1  -29   15   60 o   63.505   10.965   31.828   9.2886   44.224   14.985   24.094   11.837   73.222   15.581   53.788   15.434 19.43482 21.93079 
1 1 1  -29   15   61 o  100.266   9.1446   79.909   11.505   58.123   16.851   98.934   15.747   84.300   15.315  116.233   9.9976 -31.93275 18.28925 
1 1 1  -29   15   62 o   69.471   10.601   40.469   9.8901   30.365   14.569   49.103   13.469   58.805   17.196   80.138   12.402 -21.33275 21.20160 
1 1 1  -29   15   63 o   39.703   10.620   7.3265   8.7912   22.130   13.177  -4.5494   11.802   50.627   16.620   28.779   13.225 21.84817 21.23931 
1 1 1  -29   15   64 o   55.581   11.246   26.288   9.6563   13.962   13.432   39.471   13.891   42.679   16.443   68.484   15.348 -25.80513 22.49288 
1 1 1  -29   15   65 o   71.349   10.831   42.955   10.434   31.640   14.544   54.957   14.978   59.274   17.137   83.424   13.249 -24.14918 21.66125 
1 1 1  -29   15   66 o   39.364   15.695   10.931   12.598   0.0000   0.0000   10.931   12.598  ?   ?    39.364   15.695      ?      ? 
1 1 1  -29   15   67 o   41.348   16.156   13.387   13.109   0.0000   0.0000   13.387   13.109  ?   ?    41.348   16.156      ?      ? 
1 1 1  -29   15   68 o   87.445   13.239   61.740   15.688   0.0000   0.0000   61.740   15.688  ?   ?    87.445   13.239      ?      ? 
1 1 1  -29   15   69 o   57.336   17.027   31.121   14.191   0.0000   0.0000   31.121   14.191  ?   ?    57.336   17.027      ?      ? 
1 1 1  -29   15   70 o   56.648   17.316   31.270   14.523   0.0000   0.0000   31.270   14.523  ?   ?    56.648   17.316      ?      ? 
1 1 1  -29   16    1 o   35.330   8.4008   8.0146   4.5839   6.5061   5.6631   10.881   7.8064   31.493   10.896   39.167   12.789 -7.673491 16.80151 
1 1 1  -29   16    2 o   41.138   10.714   12.426   6.0316   12.426   6.0316   0.0000   0.0000   41.138   10.714  ?   ?       ?      ? 
1 1 1  -29   16    3 o   65.281   7.0057   31.091   5.6886   32.854   7.1152   27.966   9.4708   68.853   7.6257   61.710   11.755 7.142681 14.01144 
1 1 1  -29   16    4 o  113.814   5.2947   90.354   7.6292   91.662   9.3104   87.682   13.310  115.523   5.9472  112.105   8.7615 3.417519 10.58931 
1 1 1  -29   16    5 o  102.892   5.1693   69.233   6.9105   60.265   8.4434   87.430   12.027   93.521   6.6623  112.263   7.9056 -18.74157 10.33856 
1 1 1  -29   16    6 o   79.957   6.0975   44.011   6.3146   42.790   7.8087   46.318   10.734   78.677   7.3240   81.237   9.7506 -2.559853 12.19491 
1 1 1  -29   16    7 o   86.480   5.7154   51.391   6.4652   49.971   8.0965   53.891   10.740   85.100   7.0208   87.861   9.0205 -2.761055 11.43073 
1 1 1  -29   16    8 o   92.001   5.6129   57.508   6.7380   54.519   8.3668   63.025   11.366   88.913   6.9440   95.089   8.8205 -6.175713 11.22589 
1 1 1  -29   16    9 o  115.111   5.8487   91.996   9.0970   91.564   12.392   92.500   13.397  114.924   7.9571  115.299   8.5740 -0.3752899 11.69739 
1 1 1  -29   16   10 o   74.757   6.2754   38.214   6.1875   35.909   7.7982   42.132   10.166   71.967   7.9961   77.547   9.6740 -5.579659 12.55082 
1 1 1  -29   16   11 o   76.071   6.3002   40.195   6.2966   39.762   7.9690   40.915   10.273   75.784   7.7597   76.358   9.9277 -0.5742111 12.60046 
1 1 1  -29   16   12 o   85.214   5.9056   49.243   6.6440   45.473   8.3662   55.680   10.933   81.080   7.6143   89.348   9.0292 -8.268501 11.81124 
1 1 1  -29   16   13 o   35.867   8.7220   8.3104   5.1176   6.5372   6.7785   10.661   7.8042   32.724   11.862   39.009   12.790 -6.285442 17.44403 
1 1 1  -29   16   14 o   36.906   12.011   9.5055   6.8877   9.5055   6.8877   0.0000   0.0000   36.906   12.011  ?   ?       ?      ? 
1 1 1  -29   16   15 o   44.217   8.6557   13.988   5.3772   11.010   7.1076   17.974   8.2227   39.187   12.136   49.247   12.345 -10.06033 17.31143 
1 1 1  -29   16   16 o   40.231   8.8770   11.690   5.4275   13.580   7.2451   9.2723   8.1935   43.002   11.985   37.460   13.098 5.541435 17.75391 
1 1 1  -29   16   17 o   84.622   7.3795   56.304   7.2716   69.260   9.2344   35.158   11.797  100.273   6.7958   68.971   13.101 31.30213 14.75904 
1 1 1  -29   16   18 o   88.421   6.2284   55.074   7.1342   56.711   8.9568   52.231   11.799   90.619   7.2938   86.223   10.098 4.395744 12.45686 
1 1 1  -29   16   19 f   81.598   6.2355   43.831   6.6887   36.033   8.3206   58.075   11.245   71.979   8.5303   91.217   9.0972 -19.23863 12.47102 
1 1 1  -29   16   20 o  115.198   5.5476   91.802   8.2726   91.466   10.280   92.419   13.936  115.275   6.5806  115.120   8.9331 0.1558151 11.09522 
1 1 1  -29   16   21 o   79.913   6.3415   42.057   6.6476   30.814   8.4101   60.778   10.852   66.374   9.3501   93.452   8.5694 -27.07766 12.68307 
1 1 1  -29   16   22 o   86.228   6.1879   50.734   7.0727   46.928   8.9751   56.971   11.489   82.234   8.0539   90.223   9.3964 -7.989769 12.37573 
1 1 1  -29   16   23 o   89.439   6.7885   55.980   8.2142   51.703   11.378   60.636   11.871   85.819   9.7836   93.058   9.4135 -7.238991 13.57693 
1 1 1  -29   16   24 o  110.268   5.7081   84.698   8.1788   85.402   10.244   83.459   13.584  111.293   6.7921  109.243   9.1758 2.050529 11.41612 
1 1 1  -29   16   25 f  109.481   6.1614   83.622   9.1032   83.867   12.342   83.329   13.481  109.803   8.2947  109.159   9.1131 0.6449203 12.32275 
1 1 1  -29   16   26 o   62.128   8.3164   28.083   6.8133   22.367   9.4746   34.205   9.8047   54.665   12.983   69.590   10.397 -14.92456 16.63284 
1 1 1  -29   16   27 o   46.941   9.0767   15.839   6.3786   7.7694   8.8033   24.758   9.2551   36.084   13.443   57.799   12.199 -21.71499 18.15341 
1 1 1  -29   16   28 o   29.989   12.482   2.2415   8.3945   2.2415   8.3945   0.0000   0.0000   29.989   12.482  ?   ?       ?      ? 
1 1 1  -29   16   29 o   69.334   10.231   33.980   9.6129   33.980   9.6129   0.0000   0.0000   69.334   10.231  ?   ?       ?      ? 
1 1 1  -29   16   30 o   81.108   7.2411   47.256   7.8204   53.881   10.705   39.674   11.452   87.688   9.0088   74.528   11.339 13.15993 14.48229 
1 1 1  -29   16   31 o   67.789   8.1006   32.953   7.1308   24.345   9.5798   43.649   10.679   56.998   12.725   78.580   10.028 -21.58202 16.20129 
1 1 1  -29   16   32 o   50.829   9.3898   19.397   6.5830   16.011   9.0642   23.177   9.5765   46.192   13.579   55.465   12.972 -9.273586 18.77956 
1 1 1  -29   16   33 o   32.274   9.1517   4.4554   6.0999   5.0976   8.4858   3.7687   8.7747   32.749   12.936   31.799   12.948 0.9498768 18.30332 
1 1 1  -29   16   34 o   42.797   9.7415   13.391   6.5359   16.396   9.0223   10.072   9.4811   46.615   13.503   38.978   14.045 7.636898 19.48304 
1 1 1  -29   16   35 o   49.967   9.5961   19.168   6.7760   22.922   9.3182   14.955   9.8710   55.108   12.734   44.826   14.360 10.28182 19.19228 
1 1 1  -29   16   36 f   67.857   8.8476   35.805   7.6852   45.783   10.385   23.726   11.427   80.448   9.5259   55.267   14.912 25.18062 17.69518 
1 1 1  -29   16   37 o   95.544   8.2288   65.314   10.402   69.397   16.793   62.773   13.250   97.345   12.730   93.742   10.430 3.603172 16.45756 
1 1 1  -29   16   38 o   52.094   10.854   21.675   8.2289   17.002   13.560   24.399   10.353   47.850   16.843   56.337   13.694 -8.486908 21.70774 
1 1 1  -29   16   39 o   37.631   9.5510   9.0274   6.5265   13.756   8.8707   3.4473   9.6364   42.895   13.599   32.367   13.415 10.52845 19.10196 
1 1 1  -29   16   40 o   70.041   8.5998   35.162   7.6611   17.504   9.9593   60.754   11.990   47.660   14.289   92.423   9.5732 -44.76272 17.19952 
1 1 1  -29   16   41 o   64.860   8.9435   32.340   7.5773   37.628   10.186   25.788   11.338   72.377   10.385   57.344   14.563 15.03263 17.88690 
1 1 1  -29   16   42 o   68.363   8.8638   35.028   7.8657   32.669   10.477   38.073   11.907   65.877   12.185   70.850   12.876 -4.972748 17.72757 
1 1 1  -29   16   43 o   89.586   12.535   59.410   15.217   59.410   15.217   0.0000   0.0000   89.586   12.535  ?   ?       ?      ? 
1 1 1  -29   16   44 o   83.334   8.6558   51.078   9.7214   53.616   14.652   49.082   12.993   84.889   12.737   81.780   11.725 3.109352 17.31156 
1 1 1  -29   16   45 o   71.959   9.8694   39.637   9.1698   44.236   14.330   36.449   11.932   75.097   14.608   68.822   13.276 6.275421 19.73880 
1 1 1  -29   16   46 o   73.193   9.7702   42.677   9.1927   33.589   14.131   49.345   12.104   64.077   16.250   82.309   10.852 -18.23235 19.54043 
1 1 1  -29   16   47 o   26.915   8.6248  -3.8143   6.8821 -11.7761   11.615   0.4928   8.5431   25.672   12.212   28.158   12.183 -2.486351 17.24966 
1 1 1  -29   16   48 o   59.656   10.637   29.082   8.4975   26.488   13.733   30.691   10.817   56.427   16.748   62.886   13.118 -6.458767 21.27353 
1 1 1  -29   16   49 o   45.767   10.014   16.747   7.8817   2.8578   12.855   25.112   9.9769   34.920   15.027   56.614   13.241 -21.69421 20.02807 
1 1 1  -29   16   50 o   43.433   10.468   14.469   7.9602   5.4744   12.689   20.305   10.222   36.510   15.284   50.356   14.307 -13.84685 20.93527 
1 1 1  -29   16   51 o   92.631   10.697   62.917   13.428   0.0000   0.0000   62.917   13.428  ?   ?    92.631   10.697      ?      ? 
1 1 1  -29   16   52 o   84.218   11.345   52.606   12.948   0.0000   0.0000   52.606   12.948  ?   ?    84.218   11.345      ?      ? 
1 1 1  -29   16   53 o   40.640   10.262   11.848   7.7589   2.8196   12.168   18.033   10.072   33.944   14.613   47.336   14.410 -13.39200 20.52320 
1 1 1  -29   16   54 o   70.004   9.9973   36.907   9.3297   59.573   14.771   21.863   12.034   88.752   12.282   51.257   15.778 37.49567 19.99463 
1 1 1  -29   16   55 o   50.617   11.191   21.495   8.5098   19.973   13.254   22.562   11.100   48.927   16.679   52.308   14.925 -3.381386 22.38211 
1 1 1  -29   16   56 o   42.316   11.067   12.599   8.4716   19.194   13.055   7.8025   11.134   48.017   16.548   36.614   14.700 11.40339 22.13466 
1 1 1  -29   16   57 o   44.541   16.268   15.794   12.782   15.794   12.782   0.0000   0.0000   44.541   16.268  ?   ?       ?      ? 
1 1 1  -29   16   58 o   36.051   10.525   6.5118   8.4821   2.2830   12.813   9.8111   11.317   33.813   14.771   38.289   14.997 -4.475574 21.05017 
1 1 1  -29   16   59 o   43.250   9.5051   7.3957   8.6201 -15.5505   11.925   32.506   12.475   24.192   11.727   62.308   14.963 -38.11593 19.01030 
1 1 1  -29   16   60 o   48.972   11.499   20.722   8.9910   17.477   12.686   23.996   12.745   45.601   16.265   52.344   16.258 -6.742634 22.99737 
1 1 1  -29   16   61 o   35.567   10.424   5.7925   8.5862   11.981   11.828  -1.1013   12.484   40.025   15.427   31.109   14.022 8.915421 20.84714 
1 1 1  -29   16   62 o   42.476   10.334   11.255   8.8083   27.709   12.474  -5.1074   12.440   56.097   15.758   28.856   13.373 27.24071 20.66779 
1 1 1  -29   16   63 o   43.141   11.443   15.384   9.2468   10.617   13.215   19.956   12.943   39.047   15.894   47.236   16.465 -8.188908 22.88510 
1 1 1  -29   16   64 o   63.471   16.727   37.028   14.590   0.0000   0.0000   37.028   14.590  ?   ?    63.471   16.727      ?      ? 
1 1 1  -29   16   65 o   55.535   17.118   29.493   14.159   0.0000   0.0000   29.493   14.159  ?   ?    55.535   17.118      ?      ? 
1 1 1  -29   16   66 o   56.631   17.244   31.269   14.422   0.0000   0.0000   31.269   14.422  ?   ?    56.631   17.244      ?      ? 
1 1 1  -29   16   67 o   49.329   16.994   24.033   13.767   0.0000   0.0000   24.033   13.767  ?   ?    49.329   16.994      ?      ? 
1 1 1  -29   16   68 o   74.422   15.765   51.100   15.405   0.0000   0.0000   51.100   15.405  ?   ?    74.422   15.765      ?      ? 
1 1 1  -29   17    1 o   50.042   16.136   19.559   12.448   19.559   12.448   0.0000   0.0000   50.042   16.136  ?   ?       ?      ? 
1 1 1  -29   17    2 o   65.135   15.169   33.334   13.140   33.334   13.140   0.0000   0.0000   65.135   15.169  ?   ?       ?      ? 
1 1 1  -29   17    3 o   66.765   15.028   34.856   13.269   34.856   13.269   0.0000   0.0000   66.765   15.028  ?   ?       ?      ? 
1 1 1  -29   17    4 o   76.437   6.9533   39.356   7.0059   31.250   8.7968   53.415   11.585   66.267   9.7959   86.606   9.8709 -20.33900 13.90664 
1 1 1  -29   17    5 o   78.672   6.5669   42.674   6.8479   38.687   8.6717   49.280   11.162   74.146   8.6305   83.197   9.9001 -9.050934 13.13383 
1 1 1  -29   17    6 o   31.570   7.8907   4.2019   5.2182   12.292   6.8241  -7.1888   8.0976   40.628   11.736   22.512   10.550 18.11603 15.78137 
1 1 1  -29   17    7 o   36.300   9.9165   7.4664   6.8083   6.9988   10.990   7.7577   8.6730   36.988   14.687   35.613   13.328 1.374729 19.83299 
1 1 1  -29   17    8 o  109.809   5.9462   85.408   8.6096   88.487   11.107   80.772   13.628  112.790   7.2666  106.827   9.4141 5.962578 11.89239 
1 1 1  -29   17    9 o  125.836   5.6766  108.515   9.5273   98.932   12.237  123.262   15.181  119.138   7.5797  132.534   8.4524 -13.39580 11.35325 
1 1 1  -29   17   10 o   82.865   6.6634   48.605   7.3825   48.766   9.7040   48.384   11.375   83.323   8.5942   82.408   10.186 0.9147873 13.32686 
1 1 1  -29   17   11 o   35.157   9.0427   7.4149   5.7088   4.0450   7.8525   11.193   8.3143   30.783   12.350   39.532   13.212 -8.748966 18.08537 
1 1 1  -29   17   12 o   94.149   8.2353   62.065   10.507   62.065   10.507   0.0000   0.0000   94.149   8.2353  ?   ?       ?      ? 
1 1 1  -29   17   13 o  118.919   5.9568   99.531   9.4461  101.441   12.389   96.881   14.598  120.669   7.5766  117.169   9.1941 3.499947 11.91368 
1 1 1  -29   17   14 o   97.435   6.3207   66.982   8.2615   67.891   10.989   65.800   12.530   98.475   8.2344   96.395   9.5917 2.080017 12.64150 
1 1 1  -29   17   15 o  106.494   6.1543   79.975   8.7865   81.824   11.699   77.583   13.308  108.216   7.9774  104.772   9.3734 3.443428 12.30851 
1 1 1  -29   17   16 o  128.182   5.8248  114.363   9.9923  110.866   13.058  119.303   15.522  126.121   7.6402  130.243   8.7943 -4.122505 11.64958 
1 1 1  -29   17   17 o   84.705   6.8964   49.956   7.8429   43.376   10.306   59.008   12.089   78.211   9.7243   91.198   9.7816 -12.98675 13.79277 
1 1 1  -29   17   18 o   53.864   9.3584   22.366   6.7845   24.456   9.0622   19.701   10.234   57.131   12.083   50.598   14.294 6.532974 18.71688 
1 1 1  -29   17   19 o   84.985   7.0041   50.041   7.9618   41.449   10.396   62.229   12.382   76.323   10.052   93.647   9.7567 -17.32390 14.00816 
1 1 1  -29   17   20 o  125.071   6.1282  111.009   10.180  116.088   13.349  103.951   15.737  129.029   7.6344  121.113   9.5882 7.916176 12.25634 
1 1 1  -29   17   21 o   95.792   9.0576   71.900   10.580   50.353   16.403   87.251   13.845   80.445   15.610  111.139   9.1926 -30.69415 18.11520 
1 1 1  -29   17   22 o   42.406   9.6801   13.022   6.3268   10.809   8.4396   15.861   9.5596   39.062   13.310   45.749   14.059 -6.687309 19.36011 
1 1 1  -29   17   23 o   30.719   8.7666   2.3410   5.8953  -2.6670   7.9936   8.3135   8.7295   25.173   11.294   36.265   13.411 -11.09244 17.53323 
1 1 1  -29   17   24 o   79.458   7.1013   44.436   7.5900   40.353   10.018   49.940   11.630   75.316   9.8151   83.601   10.265 -8.284348 14.20269 
1 1 1  -29   17   25 o   80.427   7.8347   48.568   7.9913   57.730   10.773   37.360   11.916   90.493   8.7850   70.361   12.975 20.13187 15.66946 
1 1 1  -29   17   26 o   55.070   13.358   23.282   9.8666   23.282   9.8666   0.0000   0.0000   55.070   13.358  ?   ?       ?      ? 
1 1 1  -29   17   27 o   62.509   11.968   29.262   9.7687   29.262   9.7687   0.0000   0.0000   62.509   11.968  ?   ?       ?      ? 
1 1 1  -29   17   28 o   78.333   7.4299   44.028   7.8467   43.559   10.561   44.604   11.723   78.086   9.9808   78.580   11.009 -0.4938736 14.85977 
1 1 1  -29   17   29 o   62.774   8.6276   29.078   7.1455   20.484   9.6523   39.499   10.629   51.460   13.626   74.087   10.586 -22.62690 17.25529 
1 1 1  -29   17   30 o   61.194   8.8751   28.777   7.1992   35.263   9.8797   21.435   10.512   70.039   10.409   52.350   14.378 17.68906 17.75026 
1 1 1  -29   17   31 o   40.313   9.6102   11.601   6.4573   15.833   8.9297   6.9617   9.3487   45.441   13.509   35.185   13.672 10.25569 19.22049 
1 1 1  -29   17   32 o   70.383   7.7831   35.717   7.3844   33.953   9.8632   37.968   11.139   68.579   10.613   72.186   11.387 -3.607018 15.56610 
1 1 1  -29   17   33 f   55.650   9.3070   25.194   8.1123   5.8985   12.318   39.972   10.780   36.968   15.230   74.332   10.702 -37.36435 18.61405 
1 1 1  -29   17   34 o   38.634   9.5725   8.7586   7.3220  -4.4735   11.342   18.212   9.5872   28.932   13.169   48.336   13.896 -19.40362 19.14498 
1 1 1  -29   17   35 o   46.935   14.331   17.176   9.9508   0.0000   0.0000   17.176   9.9508  ?   ?    46.935   14.331      ?      ? 
1 1 1  -29   17   36 o   60.175   13.242   28.041   10.506   0.0000   0.0000   28.041   10.506  ?   ?    60.175   13.242      ?      ? 
1 1 1  -29   17   37 o   47.930   10.268   18.305   7.6117   11.257   11.496   23.808   10.157   40.755   15.327   55.105   13.669 -14.34984 20.53624 
1 1 1  -29   17   38 o   46.377   9.8996   16.759   7.5904   5.3160   11.540   25.483   10.077   35.557   14.704   57.198   13.259 -21.64035 19.79911 
1 1 1  -29   17   39 o   47.705   9.9367   18.066   7.8755   4.6400   12.143   27.813   10.347   35.574   14.926   59.835   13.122 -24.26029 19.87333 
1 1 1  -29   17   40 o   71.851   9.9104   43.000   9.2065   25.668   13.927   56.451   12.269   55.486   16.956   88.215   10.264 -32.72852 19.82077 
1 1 1  -29   17   41 o   86.962   12.554   56.754   14.794   56.754   14.794   0.0000   0.0000   86.962   12.554  ?   ?       ?      ? 
1 1 1  -29   17   42 o   77.760   10.007   49.242   9.9475   32.650   14.607   63.594   13.584   62.316   16.880   93.203   10.755 -30.88776 20.01497 
1 1 1  -29   17   43 o   65.347   10.463   34.461   9.0241   33.369   13.406   35.365   12.203   63.784   15.632   66.911   13.912 -3.126774 20.92562 
1 1 1  -29   17   44 o   67.963   10.102   38.223   9.1437   25.424   13.711   48.476   12.271   54.918   16.831   81.009   11.178 -26.09108 20.20459 
1 1 1  -29   17   45 o   44.111   10.123   14.752   8.0344   1.2976   12.541   24.120   10.464   33.396   14.601   54.826   14.027 -21.42996 20.24698 
1 1 1  -29   17   46 o   58.635   10.035   29.160   8.8159   12.756   13.404   41.665   11.703   42.505   16.411   74.765   11.551 -32.25973 20.06918 
1 1 1  -29   17   47 o   49.320   11.181   19.792   8.3315   21.789   13.219   18.476   10.731   50.945   16.643   47.695   14.936 3.249977 22.36187 
1 1 1  -29   17   48 o   41.727   10.827   13.061   8.0137   11.265   12.551   14.296   10.412   40.645   15.828   42.808   14.777 -2.163063 21.65417 
1 1 1  -29   17   49 o   24.423   11.420  -6.8425   9.3942   0.0000   0.0000  -6.8425   9.3942  ?   ?    24.423   11.420      ?      ? 
1 1 1  -29   17   50 o   76.674   11.973   44.489   12.441   0.0000   0.0000   44.489   12.441  ?   ?    76.674   11.973      ?      ? 
1 1 1  -29   17   51 o   43.271   10.629   14.625   8.1507   6.6557   12.361   20.756   10.842   36.535   15.172   50.007   14.890 -13.47190 21.25755 
1 1 1  -29   17   52 o   47.364   10.931   18.787   8.4874   11.561   12.729   24.570   11.388   40.580   15.902   54.148   15.003 -13.56832 21.86242 
1 1 1  -29   17   53 o   58.762   10.981   29.769   9.0433   23.592   13.161   35.294   12.447   52.020   16.572   65.505   14.413 -13.48541 21.96298 
1 1 1  -29   17   54 o   51.088   11.180   22.494   9.0977   13.289   13.174   30.886   12.579   41.939   16.249   60.236   15.362 -18.29723 22.36071 
1 1 1  -29   17   55 o   50.550   17.030   22.783   13.815   22.783   13.815   0.0000   0.0000   50.550   17.030  ?   ?       ?      ? 
1 1 1  -29   17   56 o   66.860   11.008   39.217   9.8926   31.207   14.483   46.223   13.545   58.510   17.154   75.210   13.798 -16.69926 22.01501 
1 1 1  -29   17   57 o   53.945   11.488   26.440   9.5168   18.245   13.909   33.653   13.050   45.744   16.926   62.145   15.537 -16.40111 22.97609 
1 1 1  -29   17   58 o   40.995   10.979   12.509   8.8751   4.5626   12.583   20.376   12.520   34.284   14.810   47.706   16.211 -13.42270 21.95738 
1 1 1  -29   17   59 o   56.162   12.002   29.711   9.9527   27.472   14.591   31.659   13.610   53.595   17.484   58.729   16.447 -5.134064 24.00419 
1 1 1  -29   17   60 o   52.890   11.876   26.725   9.8383   20.758   14.393   31.958   13.479   46.982   17.247   58.798   16.333 -11.81637 23.75291 
1 1 1  -29   17   61 o   31.125   9.8957   0.4859   8.6841   2.7621   12.981  -1.3583   11.684   32.886   14.596   29.363   13.366 3.523024 19.79131 
1 1 1  -29   17   62 o   38.605   15.436   11.919   12.222   0.0000   0.0000   11.919   12.222  ?   ?    38.605   15.436      ?      ? 
1 1 1  -29   17   63 o   48.929   16.717   23.727   13.314   0.0000   0.0000   23.727   13.314  ?   ?    48.929   16.717      ?      ? 
1 1 1  -29   17   64 o   62.371   16.500   37.941   14.161   0.0000   0.0000   37.941   14.161  ?   ?    62.371   16.500      ?      ? 
1 1 1  -29   17   65 o   49.701   16.996   25.902   13.763   0.0000   0.0000   25.902   13.763  ?   ?    49.701   16.996      ?      ? 
1 1 1  -29   17   66 o   67.394   16.699   45.691   15.173   0.0000   0.0000   45.691   15.173  ?   ?    67.394   16.699      ?      ? 
1 1 1  -29   18   11 o   29.466   8.8044   1.4487   6.1950  -2.3896   8.9316   5.0071   8.5999   26.652   11.949   32.280   12.934 -5.628422 17.60887 
1 1 1  -29   18   12 o   51.619   9.8570   21.125   7.2095   15.952   10.363   25.977   10.036   45.354   14.732   57.883   13.100 -12.52916 19.71393 
1 1 1  -29   18   13 o   45.607   10.028   16.228   7.0327   11.835   10.349   19.997   9.5865   40.722   14.673   50.492   13.674 -9.769279 20.05649 
1 1 1  -29   18   14 o   21.295   7.1944 -10.1600   5.7324  -6.4352   8.7620 -12.9473   7.5795   23.900   11.126   18.690   9.1241 5.210068 14.38878 
1 1 1  -29   18   15 o   42.377   10.232   13.480   7.0745   12.008   10.530   14.690   9.5509   40.996   14.797   43.757   14.136 -2.760334 20.46406 
1 1 1  -29   18   16 o   50.487   9.9898   19.485   7.3982   28.199   10.960   12.191   10.027   60.008   13.770   40.965   14.477 19.04288 19.97956 
1 1 1  -29   18   17 o   36.716   9.2252   6.8942   6.9432  -6.2717   10.532   17.013   9.2335   26.734   12.359   46.698   13.699 -19.96478 18.45031 
1 1 1  -29   18   18 o   54.210   14.052   23.206   10.408   0.0000   0.0000   23.206   10.408  ?   ?    54.210   14.052      ?      ? 
1 1 1  -29   18   19 o   58.804   13.651   27.064   10.669   0.0000   0.0000   27.064   10.669  ?   ?    58.804   13.651      ?      ? 
1 1 1  -29   18   20 o   70.348   9.0445   37.532   8.4134   36.827   12.312   38.149   11.524   68.823   13.683   71.873   11.832 -3.050034 18.08909 
1 1 1  -29   18   21 o   39.950   10.283   11.069   7.2049   13.023   10.675   9.4329   9.7645   42.098   14.930   37.802   14.143 4.295528 20.56578 
1 1 1  -29   18   22 o   52.176   9.9672   22.273   8.0799   8.6085   12.226   32.871   10.766   38.807   15.465   65.545   12.579 -26.73740 19.93442 
1 1 1  -29   18   23 o   54.617   10.477   24.257   8.0933   19.025   11.995   28.629   10.965   48.809   15.849   60.424   13.706 -11.61510 20.95373 
1 1 1  -29   18   24 o   68.302   14.497   36.923   13.003   36.923   13.003   0.0000   0.0000   68.302   14.497  ?   ?       ?      ? 
1 1 1  -29   18   25 o   46.895   10.608   17.389   7.7436   13.759   11.333   20.568   10.606   43.039   15.371   50.751   14.623 -7.712582 21.21523 
1 1 1  -29   18   26 o   61.279   10.053   29.688   8.1235   30.362   12.430   29.186   10.733   61.385   15.057   61.173   13.324 0.2128830 20.10561 
1 1 1  -29   18   27 o   72.420   9.3998   41.506   8.7858   29.888   12.838   51.740   12.049   60.557   15.561   84.283   10.550 -23.72668 18.79965 
1 1 1  -29   18   28 o   53.858   10.352   23.473   7.7814   21.024   11.590   25.482   10.500   50.946   15.446   56.770   13.786 -5.824207 20.70344 
1 1 1  -29   18   29 o   33.206   9.5461   4.7870   6.8972   0.2778   10.629   8.0664   9.0647   30.702   13.432   35.710   13.568 -5.008463 19.09223 
1 1 1  -29   18   30 o   37.226   10.053   8.4768   7.3694   2.5752   11.272   12.883   9.7392   33.047   14.142   41.406   14.291 -8.359753 20.10573 
1 1 1  -29   18   31 o   43.519   9.8860   14.037   7.6337   1.7234   11.641   23.327   10.111   32.830   14.213   54.208   13.745 -21.37846 19.77202 
1 1 1  -29   18   32 o   52.804   10.730   23.010   8.1255   19.886   12.632   25.215   10.613   49.380   16.275   56.227   13.986 -6.846432 21.45920 
1 1 1  -29   18   33 o   46.826   14.710   17.515   10.400   0.0000   0.0000   17.515   10.400  ?   ?    46.826   14.710      ?      ? 
1 1 1  -29   18   34 o   33.551   9.8298   4.5861   7.3595   1.5121   11.407   6.7782   9.6325   32.340   14.035   34.761   13.766 -2.421001 19.65958 
1 1 1  -29   18   35 o   47.102   10.204   17.536   7.7938   7.9301   11.397   25.974   10.682   37.226   14.899   56.977   13.947 -19.75069 20.40839 
1 1 1  -29   18   36 o   38.441   10.044   9.2174   7.5652   0.4842   11.215   16.509   10.248   31.372   13.760   45.509   14.637 -14.13631 20.08880 
1 1 1  -29   18   37 o   33.218   9.6526   3.8386   7.3286  -2.5841   10.703   9.5077   10.056   28.773   12.975   37.662   14.295 -8.888988 19.30523 
1 1 1  -29   18   38 o   35.757   10.309   6.1785   7.9970   9.7986   11.287   2.5293   11.332   38.681   15.025   32.833   14.119 5.847691 20.61754 
1 1 1  -29   18   39 o   44.613   15.586   15.762   11.600   15.762   11.600   0.0000   0.0000   44.613   15.586  ?   ?       ?      ? 
1 1 1  -29   18   40 o   59.134   10.741   29.275   8.7406   24.535   12.821   33.391   11.948   53.829   16.229   64.438   14.076 -10.60964 21.48281 
1 1 1  -29   18   41 o   39.875   10.517   9.9180   7.9007   18.280   12.036   3.5857   10.473   47.159   15.895   32.592   13.777 14.56710 21.03485 
1 1 1  -29   18   42 o   56.949   10.728   27.720   8.8637   17.771   13.064   36.208   12.066   46.585   16.517   67.313   13.694 -20.72767 21.45557 
1 1 1  -29   18   43 o   46.903   10.999   17.053   8.2309   25.035   12.875   11.536   10.704   54.060   16.255   39.746   14.820 14.31453 21.99726 
1 1 1  -29   18   44 o   59.147   10.943   29.222   8.8141   32.238   13.419   26.933   11.689   61.499   15.963   56.795   14.974 4.704205 21.88684 
1 1 1  -29   18   45 o   49.013   10.340   19.730   8.4135   6.7231   12.352   30.987   11.491   36.431   15.151   61.595   14.075 -25.16488 20.67945 
1 1 1  -29   18   46 o   44.484   11.040   15.133   8.3339   22.693   12.909   9.7313   10.912   51.114   16.427   37.854   14.754 13.25988 22.07979 
1 1 1  -29   18   47 o   81.198   12.130   50.712   13.348   0.0000   0.0000   50.712   13.348  ?   ?    81.198   12.130      ?      ? 
1 1 1  -29   18   48 o   94.192   11.447   67.563   14.611   0.0000   0.0000   67.563   14.611  ?   ?    94.192   11.447      ?      ? 
1 1 1  -29   18   49 o   34.621   10.250   5.6592   8.1987   1.2771   12.728   8.7671   10.719   32.703   14.487   36.538   14.506 -3.834774 20.50099 
1 1 1  -29   18   50 o   42.203   11.111   14.480   8.6478   10.582   13.262   17.363   11.406   39.303   15.951   45.104   15.472 -5.800755 22.22194 
1 1 1  -29   18   51 o   38.409   10.883   9.4193   8.6302   15.473   13.270   4.9821   11.361   43.144   16.411   33.674   14.298 9.469585 21.76594 
1 1 1  -29   18   52 o   44.612   11.636   16.636   9.4733   23.518   13.992   10.810   12.873   50.286   17.137   38.939   15.746 11.34707 23.27250 
1 1 1  -29   18   53 o   35.601   15.256   6.2478   13.150   6.2478   13.150   0.0000   0.0000   35.601   15.256  ?   ?       ?      ? 
1 1 1  -29   18   54 o   42.477   11.486   15.294   9.1526   18.082   13.970   13.197   12.115   44.699   16.877   40.254   15.586 4.444778 22.97290 
1 1 1  -29   18   55 o   29.822   9.6279  -1.5068   8.5930  -2.2234   13.136  -0.9708   11.361   30.377   13.956   29.267   13.267 1.110075 19.25589 
1 1 1  -29   18   56 o   37.783   11.082   10.258   9.3725   7.6920   13.773   12.471   12.791   36.264   15.579   39.302   15.764 -3.037899 22.16337 
1 1 1  -29   18   57 o   54.402   10.820   28.212   9.9946   8.6992   14.597   45.434   13.714   37.034   15.974   71.770   14.597 -34.73647 21.63919 
1 1 1  -29   18   58 o   35.728   10.739   8.4001   9.1018   6.3345   13.841   9.9739   12.081   34.922   15.302   36.534   15.071 -1.611523 21.47735 
1 1 1  -29   18   59 f   32.345   10.160   3.8233   8.8203   3.4131   13.788   4.1074   11.476   32.947   14.804   31.743   13.920 1.204823 20.32067 
1 1 1  -29   18   60 o   41.695   15.942   16.909   12.564   0.0000   0.0000   16.909   12.564  ?   ?    41.695   15.942      ?      ? 
1 1 1  -29   18   61 o   41.935   16.136   17.771   12.923   0.0000   0.0000   17.771   12.923  ?   ?    41.935   16.136      ?      ? 
1 1 1  -29   19   18 o   58.672   10.429   28.259   8.3309   24.581   11.991   31.692   11.583   54.399   15.510   62.944   13.946 -8.544964 20.85775 
1 1 1  -29   19   19 o   68.103   9.4928   37.326   8.4658   27.733   12.488   45.484   11.516   57.722   15.595   78.483   10.828 -20.76085 18.98567 
1 1 1  -29   19   20 o   64.288   9.7817   33.686   8.3942   25.470   12.634   40.179   11.232   55.078   15.986   73.498   11.277 -18.42015 19.56331 
1 1 1  -29   19   21 o   42.810   9.8215   13.107   7.5669   1.0933   11.078   23.613   10.360   31.540   13.758   54.081   14.020 -22.54167 19.64294 
1 1 1  -29   19   22 o   54.824   15.661   25.103   12.214   25.103   12.214   0.0000   0.0000   54.824   15.661  ?   ?       ?      ? 
1 1 1  -29   19   23 o   66.764   9.8742   34.898   8.6132   43.764   13.179   28.287   11.380   74.489   13.556   59.038   14.361 15.45064 19.74838 
1 1 1  -29   19   24 o   50.986   10.744   21.634   8.0728   18.244   11.930   24.497   10.964   47.226   15.826   54.746   14.536 -7.520271 21.48796 
1 1 1  -29   19   25 o   46.683   10.869   17.529   7.9515   20.300   11.883   15.282   10.700   49.448   15.747   43.918   14.986 5.530190 21.73789 
1 1 1  -29   19   26 o   99.062   8.0913   74.439   10.626   60.220   15.371   87.455   14.706   88.701   12.788  109.424   9.9175 -20.72327 16.18262 
1 1 1  -29   19   27 o   89.825   9.5919   65.456   10.554   39.058   15.015   91.236   14.839   67.813   16.497  111.836   9.7910 -44.02316 19.18379 
1 1 1  -29   19   28 o   32.596   9.7162   3.0034   7.5890  -2.7148   11.293   7.7127   10.248   29.315   13.263   35.877   14.202 -6.561693 19.43248 
1 1 1  -29   19   29 o   38.096   10.263   8.6581   7.5877   15.801   11.403   2.9814   10.165   44.438   15.457   31.754   13.505 12.68396 20.52544 
1 1 1  -29   19   30 o   48.648   10.859   19.870   8.0891   16.634   12.558   22.165   10.575   45.386   16.184   51.911   14.484 -6.524044 21.71849 
1 1 1  -29   19   31 o   65.635   12.841   33.925   11.012   0.0000   0.0000   33.925   11.012  ?   ?    65.635   12.841      ?      ? 
1 1 1  -29   19   32 o   31.393   9.2779   3.1539   6.8743  -3.3031   10.875   7.4514   8.8717   28.357   12.903   34.429   13.335 -6.072077 18.55572 
1 1 1  -29   19   33 o   30.768   9.3025   2.3990   6.9265  -0.6470   10.718   4.5831   9.0763   29.730   13.226   31.806   13.085 -2.075623 18.60496 
1 1 1  -29   19   34 o   43.635   10.625   14.305   7.6353   21.261   12.043   9.6295   9.8734   50.009   15.844   37.262   14.160 12.74757 21.24926 
1 1 1  -29   19   35 o   85.327   8.9430   57.283   9.8512   51.920   15.014   61.337   13.054   79.905   14.395   90.749   10.615 -10.84380 17.88595 
1 1 1  -29   19   36 o   60.050   16.441   31.472   13.771   31.472   13.771   0.0000   0.0000   60.050   16.441  ?   ?       ?      ? 
1 1 1  -29   19   37 o   27.768   12.895  -5.9555   11.656  -5.9555   11.656   0.0000   0.0000   27.768   12.895  ?   ?       ?      ? 
1 1 1  -29   19   38 o   27.439   8.9233  -4.5834   7.4654  -1.4261   11.705  -6.7482   9.6926   30.193   13.596   24.685   11.560 5.507744 17.84653 
1 1 1  -29   19   39 o   62.867   10.925   34.301   9.2297   30.824   14.201   36.844   12.144   58.603   16.931   67.130   13.810 -8.527889 21.84953 
1 1 1  -29   19   40 o   47.410   10.311   19.120   8.5765   3.7343   13.349   29.934   11.192   34.757   15.134   60.063   14.008 -25.30653 20.62129 
1 1 1  -29   19   41 o   35.555   10.415   6.7780   8.0521   8.8775   12.810   5.4066   10.353   37.808   15.548   33.301   13.862 4.507614 20.83009 
1 1 1  -29   19   42 o   35.607   10.224   4.3481   7.9908   16.552   12.833  -3.3800   10.212   44.179   16.275   27.034   12.378 17.14523 20.44728 
1 1 1  -29   19   43 o   27.203   8.7901  -4.9740   7.6679 -15.6641   11.993   2.4171   9.9724   23.960   11.648   30.446   13.168 -6.486454 17.58027 
1 1 1  -29   19   44 o   37.750   10.294   8.9150   8.4285  -3.4618   12.946   18.021   11.104   30.002   13.811   45.497   15.268 -15.49495 20.58740 
1 1 1  -29   19   45 o   34.599   14.218   7.1318   10.702   0.0000   0.0000   7.1318   10.702  ?   ?    34.599   14.218      ?      ? 
1 1 1  -29   19   46 o   34.077   9.8302   3.8449   8.3965 -12.5094   13.225   14.890   10.868   26.338   12.662   41.817   15.040 -15.47990 19.66039 
1 1 1  -29   19   47 o   31.310   9.9123   0.8660   8.4040   3.0261   13.654  -0.4512   10.663   33.715   14.967   28.905   13.000 4.809479 19.82453 
1 1 1  -29   19   48 o   49.298   11.363   23.374   9.4163   13.606   14.673   30.213   12.278   40.874   16.705   57.723   15.409 -16.84939 22.72613 
1 1 1  -29   19   49 o   52.980   11.645   27.596   9.5704   21.304   14.758   32.162   12.573   46.654   17.401   59.306   15.479 -12.65247 23.28907 
1 1 1  -29   19   50 o   34.408   15.106   5.2779   13.546   5.2779   13.546   0.0000   0.0000   34.408   15.106  ?   ?       ?      ? 
1 1 1  -29   19   51 o   40.373   16.356   14.249   13.917   14.249   13.917   0.0000   0.0000   40.373   16.356  ?   ?       ?      ? 
1 1 1  -29   19   52 o   38.181   10.991   10.411   9.1811   19.862   13.904   3.1043   12.226   44.587   16.837   31.775   14.131 12.81189 21.98112 
1 1 1  -29   19   53 o   37.759   10.817   8.3702   9.2504   23.206   14.155  -2.6877   12.221   47.045   17.129   28.474   13.216 18.57125 21.63488 
1 1 1  -29   19   54 o   44.457   10.963   18.535   9.9029   0.1430   15.027   32.656   13.167   31.817   14.728   57.097   16.243 -25.28083 21.92591 
1 1 1  -29   19   55 o   36.960   10.987   11.495   9.2698   11.424   14.385   11.545   12.122   37.172   15.944   36.748   15.120 0.4237289 21.97316 
1 1 1  -29   20   26 o   27.446   8.6330  -5.2956   7.3131 -19.7935   11.005   6.1692   9.7865   21.420   10.564   33.472   13.657 -12.05143 17.26599 
1 1 1  -29   20   27 o   34.783   9.9352   6.6434   7.6067  -0.1389   11.693   11.620   10.016   30.713   13.728   38.852   14.366 -8.138800 19.87047 
1 1 1  -29   20   28 o   35.579   14.187   8.1874   10.295   0.0000   0.0000   8.1874   10.295  ?   ?    35.579   14.187      ?      ? 
1 1 1  -29   20   29 o   30.157   13.045   2.2248   9.7899   0.0000   0.0000   2.2248   9.7899  ?   ?    30.157   13.045      ?      ? 
1 1 1  -29   20   30 o   46.100   10.830   18.385   7.8508   18.415   12.194   18.363   10.260   45.889   15.983   46.311   14.619 -0.4215584 21.66036 
1 1 1  -29   20   31 o   29.404   8.9846   0.1897   7.1565 -10.8739   11.441   7.3017   9.1727   24.978   11.947   33.831   13.423 -8.853041 17.96929 
1 1 1  -29   20   32 o   34.412   10.114   6.0690   7.5721   9.4860   12.330   4.0000   9.5944   37.625   15.338   31.200   13.188 6.424622 20.22793 
1 1 1  -29   20   33 o   35.700   9.8726   7.4048   7.7730  -3.8445   12.075   15.364   10.157   28.822   13.293   42.579   14.601 -13.75685 19.74529 
1 1 1  -29   20   34 o   40.233   15.915   12.672   12.861   12.672   12.861   0.0000   0.0000   40.233   15.915  ?   ?       ?      ? 
1 1 1  -29   20   35 o   36.383   10.402   6.4327   8.2311   17.151   12.839  -1.0460   10.725   44.040   16.269   28.726   12.968 15.31362 20.80482 
1 1 1  -29   20   36 o   37.614   10.648   10.346   8.1446   9.6229   13.066   10.805   10.416   37.698   15.622   37.529   14.474 0.1695251 21.29624 
1 1 1  -29   20   37 o   23.106   7.8266 -12.6883   7.4415 -27.9244   12.024  -3.2299   9.4738   20.414   10.224   25.799   11.853 -5.385384 15.65327 
1 1 1  -29   20   38 o   34.116   10.256   6.1413   8.1855   5.9662   12.886   6.2597   10.599   34.805   15.011   33.427   13.979 1.377979 20.51174 
1 1 1  -29   20   39 o   51.621   11.507   23.214   9.0400   36.615   14.836   15.300   11.401   61.525   17.151   41.718   15.344 19.80681 23.01318 
1 1 1  -29   20   40 o   41.749   10.779   15.090   8.9716   2.3628   14.388   23.187   11.476   33.480   15.075   50.018   15.410 -16.53805 21.55757 
1 1 1  -29   20   41 o   46.751   11.537   21.405   9.2569   16.296   14.719   24.748   11.906   42.271   16.927   51.231   15.682 -8.960011 23.07431 
1 1 1  -29   20   42 o   51.079   15.699   24.831   11.918   0.0000   0.0000   24.831   11.918  ?   ?    51.079   15.699      ?      ? 
1 1 1  -29   20   43 o   30.727   13.494   3.1211   10.817   0.0000   0.0000   3.1211   10.817  ?   ?    30.727   13.494      ?      ? 
1 1 1  -29   20   44 o   44.579   11.726   19.368   9.3102   23.169   14.752   16.853   12.002   46.984   17.423   42.173   15.700 4.810730 23.45275 
1 1 1  -29   20   45 o   28.047   9.1483  -3.6081   8.5481 -16.4001   14.106   3.8156   10.746   25.234   12.346   30.859   13.503 -5.624508 18.29657 
1 1 1  -29   20   46 o   47.581   12.017   22.790   9.6756   31.811   15.547   17.087   12.361   53.376   18.065   41.786   15.852 11.58999 24.03406 
1 1 1  -29   20   47 o   32.827   10.332   4.8183   8.9974   7.5494   14.653   3.1654   11.399   35.047   15.534   30.608   13.627 4.439436 20.66383 
1 1 1  -29   20   48 o   36.145   15.805   9.9478   14.699   9.9478   14.699   0.0000   0.0000   36.145   15.805  ?   ?       ?      ? 
1 1 1  -29   21   35 o   45.244   11.597   20.727   9.0102   24.087   14.318   18.524   11.594   47.171   17.219   43.318   15.539 3.852966 23.19349 
1 1 1  -29   21   36 f   41.320   11.195   17.040   8.8334   14.210   14.817   18.601   11.002   39.137   16.457   43.504   15.180 -4.366882 22.38909 
1 1 1  -29   21   37 o   46.171   11.622   21.127   8.9275   30.210   14.815   15.949   11.187   51.832   17.634   40.510   15.142 11.32140 23.24329 
1 1 1  -29   21   38 o   36.619   10.512   11.768   8.5049   5.1698   13.898   15.718   10.754   33.037   14.852   40.202   14.882 -7.165211 21.02452 
1 1 1  -28    0    1 o  229.112   6.3435  356.770   19.661   0.0000   0.0000  356.770   19.661  229.112   6.3435  229.112   6.3435 -0.000000 0.000000 
1 1 1  -28    0    2 o  150.201   6.2866  153.781   12.745   0.0000   0.0000  153.781   12.745  150.201   6.2866  150.201   6.2866 -0.000000 0.000000 
1 1 1  -28    0    3 o  100.156   7.0226   69.028   9.4237   0.0000   0.0000   69.028   9.4237  100.156   7.0226  100.156   7.0226 -0.000000 0.000000 
1 1 1  -28    0    5 o   82.118   8.1396   47.078   8.8537   0.0000   0.0000   47.078   8.8537   82.118   8.1396   82.118   8.1396 -0.000000 0.000000 
1 1 1  -28    0    6 o   96.616   11.243   65.915   14.199   0.0000   0.0000   65.915   14.199   96.616   11.243   96.616   11.243 -0.000000 0.000000 
1 1 1  -28    0    7 o   83.728   12.830   50.853   13.542   0.0000   0.0000   50.853   13.542   83.728   12.830   83.728   12.830 -0.000000 0.000000 
1 1 1  -28    0    8 o  192.031   9.3970  252.045   24.320   0.0000   0.0000  252.045   24.320  192.031   9.3970  192.031   9.3970 -0.000000 0.000000 
1 1 1  -28    0    9 o  350.654   10.722  837.164   50.841   0.0000   0.0000  837.164   50.841  350.654   10.722  350.654   10.722 -0.000000 0.000000 
1 1 1  -28    0   10 o  413.642   11.494  1164.71   64.318   0.0000   0.0000  1164.71   64.318  413.642   11.494  413.642   11.494 -0.000000 0.000000 
1 1 1  -28    0   11 o  112.123   6.7407   86.962   10.059   83.426   13.818   90.949   14.673  109.671   9.4593  114.575   9.6057 -0.000000 0.000000 
1 1 1  -28    0   12 o  296.417   6.8544  598.271   27.464  603.062   38.668  593.395   39.013  297.630   9.6099  295.203   9.7766 -0.000000 0.000000 
1 1 1  -28    0   13 o  195.795   6.2935  261.762   16.616  264.746   23.352  258.701   23.649  196.951   8.7893  194.639   9.0100 -0.000000 0.000000 
1 1 1  -28    0   14 o  493.470   9.0779  1657.97   60.611  1675.54   86.072  1640.69   85.366  496.071   12.823  490.870   12.853 -0.000000 0.000000 
1 1 1  -28    0   15 o  200.064   6.3662  273.201   17.161  290.240   24.479  256.734   24.064  206.268   8.7939  193.859   9.2076 -0.000000 0.000000 
1 1 1  -28    0   16 o  290.942   6.8714  576.273   27.020  568.160   37.836  584.717   38.598  288.850   9.6907  293.034   9.7445 -0.000000 0.000000 
1 1 1  -28    0   17 f   99.818   7.4501   70.088   9.7304   77.368   13.746   62.777   13.776  105.422   9.8177   94.213   11.208 -0.000000 0.000000 
1 1 1  -28    0   18 o  421.825   8.2453  1208.82   47.002  1277.61   68.254  1146.77   64.821  433.246   11.645  410.405   11.677 -0.000000 0.000000 
1 1 1  -28    0   19 o  376.708   7.7413  965.666   39.436  988.996   56.372  943.307   55.187  381.176   10.934  372.240   10.962 -0.000000 0.000000 
1 1 1  -28    0   20 o  149.972   6.5031  154.342   13.099  158.766   18.580  149.971   18.470  152.155   9.0854  147.788   9.3068 -0.000000 0.000000 
1 1 1  -28    0   21 o  116.872   7.1374   94.205   10.946  116.121   16.173   75.681   14.869  129.822   9.3030  103.923   10.827 -0.000000 0.000000 
1 1 1  -28    0   22 o   85.953   8.7708   52.944   9.3323   65.461   13.794   42.379   12.673   96.381   10.923   75.525   13.726 -0.000000 0.000000 
1 1 1  -28    0   23 o   84.742   8.4485   51.471   9.1341   54.151   13.333   49.101   12.539   86.922   11.964   82.562   11.931 -0.000000 0.000000 
1 1 1  -28    0   24 o  240.167   6.6311  392.829   21.495  408.114   30.995  378.666   29.835  244.683   9.3790  235.650   9.3765 -0.000000 0.000000 
1 1 1  -28    0   25 o   93.006   8.0277   61.128   9.6967   65.321   14.177   57.442   13.292   96.143   11.288   89.868   11.417 -0.000000 0.000000 
1 1 1  -28    0   26 o  147.221   9.1449  148.784   18.083   0.0000   0.0000  148.784   18.083  147.221   9.1449  147.221   9.1449 -0.000000 0.000000 
1 1 1  -28    0   27 o  241.950   9.3144  399.086   30.437   0.0000   0.0000  399.086   30.437  241.950   9.3144  241.950   9.3144 -0.000000 0.000000 
1 1 1  -28    0   28 o  188.977   6.7565  244.387   17.130  242.893   25.352  245.642   23.238  188.357   9.9967  189.596   9.0921 -0.000000 0.000000 
1 1 1  -28    0   29 o  406.661   8.1586  1125.83   44.867  1144.64   64.366  1108.06   62.574  409.958   11.607  403.364   11.469 -0.000000 0.000000 
1 1 1  -28    0   30 o   79.669   10.015   48.080   9.3953   37.961   13.599   57.321   12.995   69.471   16.654   89.867   11.130 -0.000000 0.000000 
1 1 1  -28    0   31 o  311.965   7.2310  663.108   30.490  655.406   43.315  670.673   42.928  310.146   10.332  313.784   10.119 -0.000000 0.000000 
1 1 1  -28    0   32 o  517.438   9.5102  1824.75   66.578  1793.81   93.626  1856.41   94.695  512.982   13.489  521.894   13.409 -0.000000 0.000000 
1 1 1  -28    0   33 o  589.203   10.441  2368.04   83.244  2377.53  118.377  2358.76  117.084  590.359   14.818  588.048   14.713 -0.000000 0.000000 
1 1 1  -28    0   34 o  253.799   6.9419  438.597   23.754  404.745   32.910  475.413   34.321  243.515   10.011  264.084   9.6192 -0.000000 0.000000 
1 1 1  -28    0   35 o  269.042   10.039  493.647   36.485  493.647   36.485   0.0000   0.0000  269.042   10.039  269.042   10.039 -0.000000 0.000000 
1 1 1  -28    0   36 o  826.488   13.829  4661.46  154.382  4402.71  210.423  4963.13  227.199  801.772   19.392  851.203   19.720 -0.000000 0.000000 
1 1 1  -28    0   37 o  408.786   8.2579  1138.28   45.649  1162.40   65.502  1115.51   63.651  412.994   11.725  404.578   11.631 -0.000000 0.000000 
1 1 1  -28    0   38 f  247.800   6.8793  419.123   23.010  412.121   32.834  425.882   32.257  245.726   9.8967  249.874   9.5580 -0.000000 0.000000 
1 1 1  -28    0   39 o  179.896   6.8224  222.030   16.494  213.461   23.698  230.081   22.972  176.426   9.9853  183.366   9.2993 -0.000000 0.000000 
1 1 1  -28    0   40 o  161.138   6.9143  178.154   14.942  180.784   21.886  175.859   20.449  162.203   10.045  160.073   9.5039 -0.000000 0.000000 
1 1 1  -28    0   41 o  185.092   6.8212  234.298   16.982  240.380   24.763  228.898   23.332  187.341   9.8158  182.844   9.4745 -0.000000 0.000000 
1 1 1  -28    0   42 o  412.845   8.3554  1162.39   46.651  1139.59   66.013  1185.14   65.937  408.763   11.940  416.928   11.691 -0.000000 0.000000 
1 1 1  -28    0   43 o  313.745   7.4221  670.883   31.456  683.699   45.454  659.104   43.578  316.604   10.621  310.887   10.370 -0.000000 0.000000 
1 1 1  -28    0   44 o  972.390   15.997  6515.15  210.534  6550.98  299.275  6480.05  296.229  975.001   22.678  969.779   22.569 -0.000000 0.000000 
1 1 1  -28    0   45 o  112.680   8.1394   88.951   12.032   89.697   18.072   88.357   16.127  112.890   12.171  112.469   10.810 -0.000000 0.000000 
1 1 1  -28    0   46 f  167.781   7.1957  194.996   16.055  167.148   22.939  221.739   22.479  155.615   11.004  179.946   9.2747 -0.000000 0.000000 
1 1 1  -28    0   47 o  603.811   15.122  2493.46  123.560   0.0000   0.0000  2493.46  123.560  603.811   15.122  603.811   15.122 -0.000000 0.000000 
1 1 1  -28    0   48 o  124.943   10.609  108.433   17.664   0.0000   0.0000  108.433   17.664  124.943   10.609  124.943   10.609 -0.000000 0.000000 
1 1 1  -28    0   49 o  223.921   7.1493  344.320   21.506  318.438   30.944  368.501   29.910  215.584   10.651  232.258   9.5395 -0.000000 0.000000 
1 1 1  -28    0   50 o  263.047   7.2240  472.074   25.603  481.404   37.667  464.063   34.906  265.408   10.510  260.686   9.9135 -0.000000 0.000000 
1 1 1  -28    0   51 o  449.725   8.8742  1379.81   53.939  1420.80   78.312  1342.82   74.401  456.044   12.694  443.406   12.404 -0.000000 0.000000 
1 1 1  -28    0   52 o  144.547   7.6253  143.644   14.681  153.680   22.053  135.656   19.673  149.050   11.058  140.043   10.502 -0.000000 0.000000 
1 1 1  -28    0   53 o  148.352   7.8013  153.651   15.322  136.569   22.320  168.876   21.072  140.086   11.958  156.619   10.022 -0.000000 0.000000 
1 1 1  -28    0   54 o   82.598   19.505   53.794   18.960   53.794   18.960   0.0000   0.0000   82.598   19.505   82.598   19.505 -0.000000 0.000000 
1 1 1  -28    0   55 o   70.995   14.609   39.805   12.168   57.464   20.119   29.622   15.278   85.420   19.998   56.570   21.301 -0.000000 0.000000 
1 1 1  -28    0   56 o  115.634   8.9454   95.947   13.190   85.641   20.195  103.614   17.419  109.288   14.317  121.981   10.729 -0.000000 0.000000 
1 1 1  -28    0   57 o  239.369   7.2661  391.461   23.407  401.221   34.567  383.195   31.810  242.061   10.584  236.676   9.9582 -0.000000 0.000000 
1 1 1  -28    0   58 o  138.480   8.0387  130.663   14.695  153.469   22.837  114.545   19.198  148.753   11.486  128.208   11.249 -0.000000 0.000000 
1 1 1  -28    0   59 o  257.828   7.3666  455.098   25.574  452.384   37.494  457.460   34.972  257.008   10.809  258.648   10.012 -0.000000 0.000000 
1 1 1  -28    0   60 o   82.554   12.317   53.314   11.805   47.940   18.208   57.210   15.505   76.714   20.273   88.394   13.993 -0.000000 0.000000 
1 1 1  -28    0   61 o  220.505   7.3401  332.586   21.729  342.708   32.455  324.362   29.253  223.455   10.775  217.556   9.9702 -0.000000 0.000000 
1 1 1  -28    0   62 o  191.323   7.6329  254.660   19.415  223.098   28.333  282.594   26.656  179.645   11.754  203.001   9.7408 -0.000000 0.000000 
1 1 1  -28    0   65 o  198.610   10.005  271.091   26.771   0.0000   0.0000  271.091   26.771  198.610   10.005  198.610   10.005 -0.000000 0.000000 
1 1 1  -28    0   66 o  223.089   7.3886  343.777   22.082  323.583   32.488  361.115   30.104  216.716   11.130  229.461   9.7211 -0.000000 0.000000 
1 1 1  -28    0   67 o  104.710   9.6454   79.464   12.628   76.545   19.923   81.425   16.327  102.155   15.434  107.265   11.573 -0.000000 0.000000 
1 1 1  -28    0   68 o  189.477   7.4466  249.407   18.777  235.000   28.187  260.902   25.177  184.185   11.393  194.768   9.5920 -0.000000 0.000000 
1 1 1  -28    0   69 o  127.552   8.3069  111.664   13.868  130.316   22.067   99.488   17.828  136.180   12.182  118.924   11.297 -0.000000 0.000000 
1 1 1  -28    0   70 o  116.909   13.776   98.053   21.030   98.053   21.030   0.0000   0.0000  116.909   13.776  116.909   13.776 -0.000000 0.000000 
1 1 1  -28    0   71 o  164.323   7.6972  185.993   16.888  207.917   25.357  168.517   22.639  173.045   10.913  155.601   10.858 -0.000000 0.000000 
1 1 1  -28    0   72 o  135.430   8.1223  130.245   14.361  120.538   22.029  137.417   18.937  130.345   12.752  140.515   10.064 -0.000000 0.000000 
1 1 1  -28    0   73 o   74.443   12.248   42.573   10.579   55.255   17.033   34.609   13.498   84.654   16.696   64.231   17.924 -0.000000 0.000000 
1 1 1  -28    0   74 o  196.470   7.4358  270.960   19.414  235.969   28.380  301.737   26.616  183.860   11.493  209.080   9.4375 -0.000000 0.000000 
1 1 1  -28    0   75 o  175.913   7.5035  215.979   17.550  212.644   26.674  218.525   23.305  174.329   11.403  177.497   9.7562 -0.000000 0.000000 
1 1 1  -28    0   76 o  133.969   8.1402  127.711   14.269  122.221   21.968  131.718   18.767  130.822   12.664  137.117   10.231 -0.000000 0.000000 
1 1 1  -28    0   77 o   64.401   13.569   35.234   10.153   41.112   16.182   31.419   13.039   68.933   19.964   59.869   18.381 -0.000000 0.000000 
1 1 1  -28    0   78 o  153.561   7.5879  164.085   15.457  177.141   23.926  154.734   20.250  158.540   11.267  148.583   10.166 -0.000000 0.000000 
1 1 1  -28    0   79 o  111.996   11.044   89.621   16.387   0.0000   0.0000   89.621   16.387  111.996   11.044  111.996   11.044 -0.000000 0.000000 
1 1 1  -28    0   80 o   53.555   18.753   26.793   12.327   0.0000   0.0000   26.793   12.327   53.555   18.753   53.555   18.753 -0.000000 0.000000 
1 1 1  -28    0   81 o  126.422   10.370  113.388   17.491   0.0000   0.0000  113.388   17.491  126.422   10.370  126.422   10.370 -0.000000 0.000000 
1 1 1  -28    0   82 o  110.583   10.762   87.752   15.776   0.0000   0.0000   87.752   15.776  110.583   10.762  110.583   10.762 -0.000000 0.000000 
1 1 1  -28    1    1 o  184.620   4.3885  231.233   10.978  236.206   15.680  226.451   15.374  186.567   6.2018  182.674   6.2107 3.893448 8.776989 
1 1 1  -28    1    2 o  319.566   4.9915  692.850   21.609  712.672   31.042  674.212   30.099  323.997   7.0700  315.136   7.0482 8.861816 9.983072 
1 1 1  -28    1    3 o  382.085   5.4710  991.482   28.327  984.266   40.062  998.696   40.059  380.691   7.7656  383.478   7.7085 -2.786957 10.94196 
1 1 1  -28    1    4 o  251.751   4.6346  429.918   15.807  440.379   22.668  420.017   22.054  254.730   6.5668  248.772   6.5418 5.957214 9.269193 
1 1 1  -28    1    5 o  531.763   6.7555  1920.81   48.657  1981.48   70.142  1864.53   67.554  539.843   9.5880  523.682   9.5192 16.16101 13.51093 
1 1 1  -28    1    6 o  643.942   7.8286  2822.30   68.312  2838.31   97.085  2806.61   96.138  645.744   11.095  642.141   11.048 3.603027 15.65719 
1 1 1  -28    1    7 o  420.500   5.8022  1201.04   33.063  1202.34   46.886  1199.75   46.630  420.724   8.2237  420.275   8.1875 0.4487305 11.60445 
1 1 1  -28    1    8 o  563.955   7.0735  2162.83   54.058  2153.06   76.363  2172.64   76.537  562.677   10.015  565.234   9.9921 -2.557678 14.14704 
1 1 1  -28    1    9 o  197.695   5.0009  259.052   11.741  252.623   13.562  278.286   23.457  192.996   5.1856  202.393   8.5525 -9.396774 10.00180 
1 1 1  -28    1   10 o  518.632   7.6404  1824.31   46.520  1818.46   53.698  1841.91   93.141  517.510   7.6569  519.754   13.224 -2.244141 15.28077 
1 1 1  -28    1   11 o  636.028   8.9251  2743.98   66.519  2731.53   76.692  2781.78  133.653  634.029   8.9260  638.026   15.458 -3.997498 17.85018 
1 1 1  -28    1   12 o  304.011   5.9726  622.452   23.158  612.220   28.204  643.623   40.569  300.336   6.9298  307.687   9.7297 -7.351318 11.94528 
1 1 1  -28    1   13 o  486.062   7.7824  1619.20   48.532  1644.35   59.950  1571.37   82.669  491.924   8.9930  480.200   12.704 11.72388 15.56481 
1 1 1  -28    1   14 o  268.043   5.7602  488.354   19.724  489.147   24.167  486.773   34.135  268.475   6.6427  267.612   9.4125 0.8630676 11.52046 
1 1 1  -28    1   15 o  482.356   6.3067  1580.93   41.224  1580.56   58.290  1581.30   58.310  482.299   8.9185  482.412   8.9195 -0.1130676 12.61343 
1 1 1  -28    1   16 o  302.957   4.9165  622.657   20.179  641.455   28.885  604.738   28.203  307.422   6.9336  298.491   6.9723 8.930817 9.833031 
1 1 1  -28    1   17 o  654.527   7.9163  2915.48   70.212  2944.78   99.872  2886.85   98.727  657.776   11.204  651.278   11.186 6.497864 15.83259 
1 1 1  -28    1   18 o  524.221   6.6986  1868.00   47.586  1876.37   67.415  1859.68   67.179  525.393   9.4687  523.049   9.4778 2.343933 13.39723 
1 1 1  -28    1   19 o  203.679   4.5026  281.503   12.427  281.291   17.619  281.714   17.531  203.602   6.3860  203.756   6.3492 -0.1548004 9.005154 
1 1 1  -28    1   20 o  559.852   7.0388  2131.13   53.398  2158.11   76.040  2104.87   75.003  563.348   9.9606  556.357   9.9482 6.990234 14.07761 
1 1 1  -28    1   21 o  437.277   5.9515  1298.80   35.265  1280.54   49.552  1317.53   50.197  434.163   8.4222  440.392   8.4112 -6.229034 11.90303 
1 1 1  -28    1   22 o  654.217   7.9319  2913.50   70.319  2928.45   99.799  2898.75   99.098  655.881   11.228  652.553   11.206 3.327393 15.86383 
1 1 1  -28    1   23 o  551.044   8.5092  2056.59   59.759  2033.48   72.832  2104.21  104.541  546.831   9.8285  555.255   13.894 -8.423889 17.01847 
1 1 1  -28    1   24 o  258.986   5.8052  460.712   19.331  472.314   23.994  439.253   32.632  263.794   6.7119  254.178   9.4737 9.616699 11.61041 
1 1 1  -28    1   25 o  398.591   6.8797  1071.71   35.032  1054.72   42.746  1106.49   61.137  394.051   8.0049  403.130   11.191 -9.078613 13.75946 
1 1 1  -28    1   26 o  333.208   5.1932  753.886   23.449  748.935   33.137  758.851   33.188  332.111   7.3629  334.305   7.3257 -2.194885 10.38642 
1 1 1  -28    1   27 o  190.865   4.5990  247.157   11.892  251.759   17.038  242.784   16.608  192.596   6.5280  189.133   6.4797 3.462051 9.197920 
1 1 1  -28    1   28 o  380.652   5.5603  982.359   28.654  1030.87   41.633  938.695   39.497  389.562   7.8864  371.743   7.8405 17.81897 11.12060 
1 1 1  -28    1   29 o  360.977   6.6015  882.963   30.378  895.333   53.011  876.914   37.069  362.634   10.787  359.319   7.6128 3.315430 13.20308 
1 1 1  -28    1   30 o  432.298   7.2872  1264.27   40.134  1294.45   70.278  1249.67   48.890  435.780   11.901  428.816   8.4133 6.963898 14.57431 
1 1 1  -28    1   31 o  408.401   5.7843  1133.40   32.012  1133.24   45.353  1133.55   45.191  408.371   8.1954  408.431   8.1650 -0.5966187E-01 11.56858 
1 1 1  -28    1   32 o  325.130   6.3740  713.034   26.324  735.412   46.448  702.444   31.951  328.661   10.429  321.599   7.3315 7.062012 12.74791 
1 1 1  -28    1   33 o  508.464   8.1537  1750.85   52.674  1795.20   92.748  1729.73   63.996  512.669   13.350  504.259   9.3651 8.409760 16.30737 
1 1 1  -28    1   34 o  453.253   7.5680  1394.39   43.634  1413.82   76.450  1385.00   53.140  455.179   12.394  451.327   8.6885 3.852234 15.13604 
1 1 1  -28    1   35 o  371.620   5.5246  938.343   27.819  920.040   39.141  957.025   39.546  367.954   7.8497  375.287   7.7759 -7.333099 11.04912 
1 1 1  -28    1   36 o  415.023   7.2186  1174.86   38.253  1178.65   46.872  1167.32   66.193  416.378   8.3070  413.667   11.808 2.710968 14.43728 
1 1 1  -28    1   37 o  214.908   5.9723  319.250   16.288  329.586   19.997  298.873   28.079  220.304   6.6982  209.512   9.8898 10.79152 11.94461 
1 1 1  -28    1   38 o  428.509   5.9713  1248.68   34.674  1252.69   49.167  1244.71   48.908  429.192   8.4535  427.827   8.4358 1.365173 11.94253 
1 1 1  -28    1   39 o  229.164   4.7824  356.659   14.850  349.608   20.905  363.841   21.099  226.875   6.7995  231.453   6.7270 -4.577850 9.564831 
1 1 1  -28    1   40 o  218.435   4.7822  324.069   14.154  317.418   19.930  330.838   20.105  216.171   6.8034  220.699   6.7224 -4.528961 9.564345 
1 1 1  -28    1   41 o  152.621   4.8953  158.264   10.121  152.858   14.273  163.732   14.354  149.994   7.0219  155.249   6.8227 -5.255676 9.790668 
1 1 1  -28    1   42 o  192.278   4.7850  251.054   12.458  265.500   17.809  237.213   17.433  197.700   6.6475  186.855   6.8846 10.84517 9.570100 
1 1 1  -28    1   43 o  404.851   5.8309  1114.94   31.989  1123.12   45.464  1106.93   45.017  406.319   8.2569  403.384   8.2353 2.934479 11.66176 
1 1 1  -28    1   44 o  339.767   5.3914  784.950   24.824  783.429   35.101  786.473   35.111  339.437   7.6310  340.098   7.6183 -0.6608887 10.78289 
1 1 1  -28    1   45 o  239.432   4.9428  389.612   16.037  390.500   22.746  388.734   22.616  239.702   7.0024  239.162   6.9781 0.5400543 9.885660 
1 1 1  -28    1   46 o  283.636   6.1509  549.904   22.531  555.000   27.989  540.523   37.978  285.722   7.2287  281.549   9.9539 4.172424 12.30177 
1 1 1  -28    1   47 o  460.270   7.6469  1425.63   44.849  1386.72   54.454  1507.69   79.077  451.215   8.9055  469.324   12.434 -18.10840 15.29385 
1 1 1  -28    1   48 o  299.863   6.2668  607.901   24.056  626.533   41.787  598.665   29.419  303.021   10.176  296.706   7.3168 6.314331 12.53360 
1 1 1  -28    1   49 o  234.988   6.0286  378.495   18.199  368.259   30.934  383.913   22.507  232.348   9.8247  237.628   6.9892 -5.280991 12.05711 
1 1 1  -28    1   50 o  245.938   5.0142  411.252   16.709  419.997   23.781  402.726   23.482  248.523   7.0614  243.353   7.1207 5.170807 10.02832 
1 1 1  -28    1   51 o  373.541   5.6816  949.812   28.758  962.972   40.969  937.029   40.377  376.091   8.0387  370.991   8.0312 5.099091 11.36316 
1 1 1  -28    1   52 o  324.237   5.3890  715.480   23.677  704.026   33.418  727.026   33.551  321.622   7.6674  326.851   7.5748 -5.229034 10.77805 
1 1 1  -28    1   53 o  378.151   7.1407  980.507   34.299  965.482   59.799  987.872   41.871  375.451   11.753  380.851   8.1129 -5.399719 14.28135 
1 1 1  -28    1   54 o  342.615   7.9626  799.440   36.970  799.440   36.970   0.0000   0.0000  342.615   7.9626  ?   ?       ?      ? 
1 1 1  -28    1   55 o  165.022   7.2249  193.329   14.604  204.389   17.573  168.630   26.259  173.278   7.4836  156.765   12.361 16.51289 14.44982 
1 1 1  -28    1   56 o  354.390   5.6164  855.406   26.969  836.707   37.878  874.632   38.408  350.455   7.9757  358.325   7.9097 -7.870331 11.23281 
1 1 1  -28    1   57 o  233.754   5.1589  371.268   16.321  346.792   22.584  398.030   23.615  225.691   7.3840  241.817   7.2064 -16.12613 10.31776 
1 1 1  -28    1   58 o  369.454   8.0824  934.872   40.412  955.548   58.930  916.517   55.524  373.221   11.652  365.688   11.204 7.532776 16.16470 
1 1 1  -28    1   59 o  339.186   6.8919  785.488   29.645  789.743   52.115  783.453   36.045  339.327   11.333  339.045   7.8452 0.2824097 13.78381 
1 1 1  -28    1   60 o  128.828   5.6930  113.065   9.9282  120.670   14.272  105.935   13.820  133.035   7.9166  124.622   8.1834 8.412994 11.38599 
1 1 1  -28    1   61 o  322.997   5.4455  711.110   23.832  724.103   34.038  698.615   33.379  325.889   7.7074  320.105   7.6947 5.783569 10.89094 
1 1 1  -28    1   62 o  180.454   5.1961  221.986   12.705  218.271   17.974  225.695   17.961  178.935   7.4127  181.972   7.2835 -3.036331 10.39219 
1 1 1  -28    1   63 o  115.838   6.0411   91.743   9.4747   96.430   13.429   87.097   13.370  118.808   8.3408  112.867   8.7415 5.941002 12.08227 
1 1 1  -28    1   64 o  219.359   6.1101  329.198   17.426  329.390   21.779  328.857   29.051  219.740   7.3137  218.978   9.7898 0.7618713 12.22013 
1 1 1  -28    1   65 o  323.682   6.6292  722.789   27.630  704.023   46.716  732.886   34.266  319.813   10.779  327.552   7.7198 -7.739227 13.25840 
1 1 1  -28    1   66 o  198.401   5.1514  268.881   13.843  258.931   19.564  278.858   19.591  194.697   7.4150  202.106   7.1531 -7.409531 10.30289 
1 1 1  -28    1   67 o  298.422   5.3713  609.005   21.717  592.874   30.635  625.300   30.790  294.420   7.6783  302.424   7.5130 -8.004486 10.74251 
1 1 1  -28    1   68 f  120.280   6.8951  100.276   10.775   97.317   17.844  101.974   13.517  118.585   11.104  121.974   8.1777 -3.389084 13.79029 
1 1 1  -28    1   69 o  168.921   11.225  197.920   25.695   0.0000   0.0000  197.920   25.695  ?   ?   168.921   11.225      ?      ? 
1 1 1  -28    1   70 o  288.325   7.9320  577.778   30.991  571.521   43.814  584.043   43.841  286.725   11.276  289.925   11.159 -3.200348 15.86407 
1 1 1  -28    1   71 o   79.800   10.181   49.128   9.5096   53.616   11.344   38.518   17.443   88.074   9.5043   71.525   18.008 16.54929 20.36225 
1 1 1  -28    1   72 f  204.123   5.1103  285.931   14.133  278.922   19.979  292.950   19.994  201.589   7.3136  206.658   7.1393 -5.069672 10.22052 
1 1 1  -28    1   73 o   62.831   8.8019   28.729   7.2275   28.042   10.317   29.391   10.128   61.996   12.707   63.665   12.183 -1.669132 17.60383 
1 1 1  -28    1   74 o  111.496   5.9025   85.920   8.9178   84.904   12.550   86.956   12.675  110.829   8.3560  112.164   8.3387 -1.335442 11.80490 
1 1 1  -28    1   75 o  259.417   5.1911  463.715   18.247  472.031   25.894  455.510   25.719  261.752   7.2999  257.082   7.3823 4.669678 10.38211 
1 1 1  -28    1   76 o  171.752   5.1801  203.477   12.037  188.386   16.822  219.312   17.232  165.146   7.5168  178.357   7.1296 -13.21127 10.36023 
1 1 1  -28    1   77 o   94.769   6.2279   62.633   7.9966   61.361   11.325   63.897   11.293   93.778   8.9112   95.760   8.7027 -1.981934 12.45582 
1 1 1  -28    1   78 o  102.893   7.0735   76.392   9.4435   81.827   12.045   67.724   15.213  108.416   8.1987   97.370   11.529 11.04615 14.14700 
1 1 1  -28    1   79 o  177.910   6.8685  223.474   16.554  229.779   23.430  217.190   23.393  180.514   9.5782  175.305   9.8471 5.209793 13.73707 
1 1 1  -28    1   80 o   86.359   8.4144   54.010   9.8398   55.030   13.752   52.939   14.085   87.323   11.621   85.395   12.172 1.927986 16.82871 
1 1 1  -28    1   81 o   76.457   9.3578   43.713   9.4610   39.619   13.223   48.007   13.543   71.899   14.075   81.014   12.336 -9.114723 18.71551 
1 1 1  -28    1   82 o  129.753   7.2570  120.798   12.720  133.307   18.224  108.913   17.763  136.592   9.8453  122.914   10.664 13.67799 14.51393 
1 1 1  -28    1   83 o   63.253   14.687   31.585   12.348   0.0000   0.0000   31.585   12.348  ?   ?    63.253   14.687      ?      ? 
1 1 1  -28    2    1 o  315.258   4.9600  674.887   21.187  665.110   30.073  684.521   29.853  312.983   7.0904  317.532   6.9377 -4.548248 9.920002 
1 1 1  -28    2    2 o  258.950   4.6326  455.090   16.251  456.759   23.311  453.512   22.666  259.406   6.6313  258.494   6.4706 0.9127197 9.265121 
1 1 1  -28    2    3 o  238.479   4.5551  386.226   14.705  365.079   20.772  407.471   20.820  231.920   6.6093  245.037   6.2701 -13.11682 9.110297 
1 1 1  -28    2    4 o  161.147   4.4315  175.938   9.6640  181.432   14.119  171.094   13.256  163.506   6.3720  158.788   6.1605 4.718353 8.863037 
1 1 1  -28    2    5 o  275.181   5.7737  517.845   20.578  526.380   25.695  502.579   34.362  278.473   6.8089  271.890   9.3263 6.582855 11.54732 
1 1 1  -28    2    6 o  368.620   6.5422  918.660   31.012  907.891   38.135  939.686   53.286  365.634   7.6966  371.606   10.581 -5.972076 13.08450 
1 1 1  -28    2    7 o  523.509   8.1270  1818.57   53.793  1739.09   64.608  1998.17   97.121  505.769   9.4265  541.250   13.241 -35.48090 16.25406 
1 1 1  -28    2    8 o  439.634   6.7843  1297.97   35.017  1282.09   40.330  1346.62   70.584  434.610   6.8478  444.658   11.714 -10.04846 13.56851 
1 1 1  -28    2    9 o  696.219   9.5976  3302.42   78.515  3297.90   90.726  3315.91  156.700  696.456   9.6129  695.981   16.615 0.4756470 19.19512 
1 1 1  -28    2   10 o  382.305   6.2690  992.765   28.369  992.301   32.905  994.108   55.996  382.402   6.3498  382.208   10.811 0.1940613 12.53799 
1 1 1  -28    2   11 o  209.577   5.0560  296.197   12.689  293.986   14.785  302.377   24.723  208.193   5.2406  210.960   8.6480 -2.766144 10.11198 
1 1 1  -28    2   12 o  184.918   4.9852  228.538   11.065  224.534   12.878  239.830   21.624  181.948   5.2231  187.888   8.4929 -5.940491 9.970428 
1 1 1  -28    2   13 o  316.959   5.7312  682.363   21.581  682.382   25.082  682.311   42.349  317.151   5.8359  316.767   9.8656 0.3837585 11.46245 
1 1 1  -28    2   14 o   93.586   5.0187   59.559   6.3535   56.546   9.0919   62.435   8.8822   91.263   7.3516   95.910   6.8340 -4.647842 10.03735 
1 1 1  -28    2   15 o  321.846   5.0151  703.000   21.870  686.706   30.697  719.796   31.166  318.057   7.1220  325.635   7.0627 -7.577911 10.03018 
1 1 1  -28    2   16 o  179.276   5.4009  215.943   12.370  211.509   15.078  225.074   21.637  176.551   6.3021  182.000   8.7727 -5.449112 10.80171 
1 1 1  -28    2   17 f  215.385   5.5073  312.060   15.169  306.225   18.515  323.974   26.457  212.428   6.4317  218.343   8.9418 -5.914200 11.01461 
1 1 1  -28    2   18 o  386.251   5.5158  1012.71   28.864  1039.61   41.304  987.028   40.353  391.264   7.7901  381.239   7.8108 10.02548 11.03153 
1 1 1  -28    2   19 o  722.787   10.524  3530.08   96.461  3460.35  116.793  3679.71  171.089  712.690   12.093  732.885   17.227 -20.19470 21.04762 
1 1 1  -28    2   20 o  436.717   7.2566  1297.92   40.579  1299.00   49.831  1295.79   69.914  437.271   8.4095  436.164   11.829 1.106659 14.51322 
1 1 1  -28    2   21 o  518.097   8.1249  1825.23   53.846  1819.82   65.998  1835.98   93.125  517.378   9.4132  518.817   13.246 -1.439026 16.24972 
1 1 1  -28    2   22 o  366.881   5.4039  913.552   26.859  938.710   38.518  889.742   37.472  371.794   7.6450  361.967   7.6394 9.826630 10.80771 
1 1 1  -28    2   23 o  281.828   4.8469  538.890   18.506  552.326   26.521  526.138   25.837  285.249   6.8609  278.406   6.8481 6.843506 9.693796 
1 1 1  -28    2   24 o  176.514   4.5500  211.470   10.882  210.587   15.517  212.324   15.264  176.148   6.5005  176.879   6.3680 -0.7312622 9.099923 
1 1 1  -28    2   25 o  235.608   4.6504  376.797   14.847  374.556   21.090  379.000   20.904  234.910   6.6251  236.305   6.5280 -1.395401 9.300877 
1 1 1  -28    2   26 o  261.828   4.7821  465.405   16.966  459.832   24.053  470.925   23.935  260.264   6.8197  263.393   6.7057 -3.128845 9.564212 
1 1 1  -28    2   27 o  325.045   5.1321  717.169   22.601  730.763   32.363  704.226   31.578  328.049   7.2798  322.041   7.2359 6.007416 10.26426 
1 1 1  -28    2   28 o  249.523   4.7455  422.712   16.044  418.609   22.802  426.736   22.579  248.319   6.7761  250.727   6.6455 -2.408112 9.490901 
1 1 1  -28    2   29 o  255.558   4.7933  443.420   16.596  441.672   23.690  445.104   23.258  255.058   6.8539  256.058   6.7027 -1.000168 9.586534 
1 1 1  -28    2   30 o  369.270   7.6981  926.317   38.522   0.0000   0.0000  926.317   38.522  ?   ?   369.270   7.6981      ?      ? 
1 1 1  -28    2   31 o  393.325   7.9633  1051.18   42.445   0.0000   0.0000  1051.18   42.445  ?   ?   393.325   7.9633      ?      ? 
1 1 1  -28    2   32 o  323.263   5.1670  709.580   22.628  684.554   31.743  735.434   32.264  317.462   7.3785  329.064   7.2353 -11.60181 10.33404 
1 1 1  -28    2   33 o  352.611   5.3689  844.301   25.648  863.318   36.778  826.295   35.786  356.472   7.6134  348.750   7.5722 7.722321 10.73785 
1 1 1  -28    2   34 o  198.398   4.6770  267.413   12.567  258.824   17.865  275.825   17.680  195.234   6.7527  201.562   6.4728 -6.327927 9.353928 
1 1 1  -28    2   35 o  272.645   4.9117  504.883   18.146  499.968   25.709  509.763   25.617  271.318   6.9923  273.972   6.8997 -2.653534 9.823393 
1 1 1  -28    2   36 o  401.186   5.7565  1094.13   31.295  1096.92   44.439  1091.39   44.078  401.690   8.1638  400.682   8.1178 1.007965 11.51291 
1 1 1  -28    2   37 o  155.795   6.0907  165.311   12.064  165.743   14.717  164.426   21.062  156.209   6.9522  155.382   10.003 0.8269043 12.18144 
1 1 1  -28    2   38 o  552.888   8.7085  2099.72   61.666  2125.32   75.984  2050.32  105.543  558.586   10.038  547.191   14.233 11.39600 17.41701 
1 1 1  -28    2   39 o  329.571   5.2665  737.784   23.515  756.244   33.706  720.280   32.822  333.584   7.4563  325.558   7.4396 8.026276 10.53296 
1 1 1  -28    2   40 o  223.963   4.8052  340.684   14.583  344.601   20.785  336.886   20.465  225.230   6.8098  222.696   6.7813 2.533081 9.610399 
1 1 1  -28    2   41 o  233.144   4.8460  369.090   15.307  379.772   21.930  358.942   21.374  236.433   6.8447  229.856   6.8619 6.577042 9.692039 
1 1 1  -28    2   42 o  320.023   5.2426  696.138   22.735  688.413   32.064  703.948   32.242  318.234   7.4351  321.811   7.3932 -3.576660 10.48526 
1 1 1  -28    2   43 o  565.458   7.2040  2179.99   55.202  2182.99   78.190  2177.00   77.945  565.843   10.197  565.073   10.179 0.7703857 14.40793 
1 1 1  -28    2   44 o  267.106   5.9805  482.324   20.637  475.028   25.491  496.205   35.158  264.365   7.1154  269.846   9.6144 -5.481140 11.96101 
1 1 1  -28    2   45 o  365.538   6.7420  915.578   31.826  927.448   39.573  893.840   53.551  369.238   7.9088  361.837   10.921 7.401093 13.48409 
1 1 1  -28    2   46 o  168.873   4.9706  193.675   11.364  206.033   16.320  182.043   15.833  174.106   6.9173  163.639   7.1401 10.46663 9.941278 
1 1 1  -28    2   47 o  493.037   6.5815  1656.66   43.973  1660.61   62.365  1652.74   62.011  493.618   9.3233  492.457   9.2921 1.161407 13.16308 
1 1 1  -28    2   48 o  185.484   4.9545  233.790   12.450  239.506   17.846  228.370   17.378  187.691   7.0165  183.277   6.9971 4.413574 9.909097 
1 1 1  -28    2   49 o  212.559   5.9918  305.943   16.295  313.036   28.287  302.420   19.936  214.218   9.7443  210.900   6.9754 3.318161 11.98366 
1 1 1  -28    2   50 o  314.731   5.3541  673.920   22.831  677.349   32.658  670.641   31.930  315.502   7.6383  313.959   7.5048 1.542938 10.70819 
1 1 1  -28    2   51 o  388.370   7.1812  1029.15   35.501  1032.22   61.933  1027.64   43.326  388.287   11.770  388.453   8.2305 -0.1660461 14.36245 
1 1 1  -28    2   52 o  303.101   6.6021  625.423   25.573  630.507   44.329  622.888   31.307  303.685   10.772  302.516   7.6368 1.168823 13.20412 
1 1 1  -28    2   53 o  322.465   7.6111  711.859   33.208  694.161   47.945  728.178   46.039  318.512   11.108  326.418   10.408 -7.905121 15.22216 
1 1 1  -28    2   54 o  190.261   6.6368  238.355   15.636  268.491   29.469  226.547   18.446  198.085   10.978  182.437   7.4612 15.64774 13.27366 
1 1 1  -28    2   55 o  208.123   6.6986  304.593   17.390  320.206   21.162  272.116   30.520  216.916   7.1991  199.331   11.299 17.58496 13.39715 
1 1 1  -28    2   56 o  311.739   6.7025  659.587   26.472  652.358   32.090  674.986   46.833  309.503   7.6510  313.975   11.007 -4.472595 13.40509 
1 1 1  -28    2   57 o  222.647   5.1159  337.412   15.433  339.953   22.075  334.982   21.583  223.459   7.2900  221.835   7.1796 1.623795 10.23185 
1 1 1  -28    2   58 o  336.565   5.5216  771.927   25.182  768.167   35.748  775.630   35.479  335.740   7.8573  337.390   7.7599 -1.650757 11.04325 
1 1 1  -28    2   59 o  247.267   5.1159  415.890   17.131  435.898   24.694  397.324   23.787  253.000   7.2025  241.535   7.2673 11.46487 10.23177 
1 1 1  -28    2   60 o  184.308   5.1465  231.040   12.835  249.705   18.526  213.814   17.797  191.473   7.1399  177.143   7.4139 14.32988 10.29296 
1 1 1  -28    2   61 o  228.351   5.0953  355.296   15.766  355.145   22.427  355.442   22.169  228.296   7.2491  228.406   7.1622 -0.1108551 10.19057 
1 1 1  -28    2   62 o  139.418   5.5370  132.650   10.454  131.949   15.047  133.305   14.534  139.042   7.9859  139.794   7.6719 -0.7519379 11.07393 
1 1 1  -28    2   63 o  290.649   6.2978  569.349   23.671  550.153   29.156  606.467   40.542  283.954   7.5770  297.344   10.062 -13.38956 12.59551 
1 1 1  -28    2   64 o  277.434   5.2824  525.354   19.859  521.163   28.126  529.520   28.044  276.319   7.5114  278.548   7.4294 -2.228607 10.56486 
1 1 1  -28    2   65 o   89.029   8.0742   53.796   9.2507   57.567   16.015   51.908   11.333   91.098   12.973   86.960   9.6167 4.137253 16.14833 
1 1 1  -28    2   66 o  137.014   5.7229  128.737   10.595  124.305   15.420  132.700   14.582  134.715   8.4467  139.313   7.7239 -4.597809 11.44579 
1 1 1  -28    2   67 o  236.618   5.1540  382.712   16.525  378.471   23.408  386.925   23.332  235.296   7.3413  237.939   7.2361 -2.643356 10.30808 
1 1 1  -28    2   68 o   42.702   8.8135   9.4491   7.0072  -6.6859   10.017   24.910   9.8057   26.680   12.232   58.725   12.692 -32.04463 17.62693 
1 1 1  -28    2   69 o  180.617   6.7836  225.610   15.066  223.464   27.840  226.499   17.916  179.332   11.456  181.903   7.2683 -2.570526 13.56721 
1 1 1  -28    2   70 f   47.538   10.467   15.982   7.5074   18.320   10.641   13.665   10.593   50.301   14.692   44.776   14.911 5.525021 20.93342 
1 1 1  -28    2   71 o  149.024   6.9388  155.191   12.869  157.447   15.486  150.155   23.138  151.450   7.5454  146.598   11.647 4.851440 13.87753 
1 1 1  -28    2   72 o  239.423   5.1595  393.336   16.722  368.489   23.351  419.488   23.957  231.604   7.4400  247.241   7.1503 -15.63695 10.31895 
1 1 1  -28    2   73 o  191.787   6.0794  252.837   15.128  259.205   25.475  249.368   18.803  193.107   9.7349  190.467   7.2849 2.639648 12.15887 
1 1 1  -28    2   74 o  196.319   7.3996  270.957   19.530  282.125   26.389  257.432   29.041  201.264   9.6754  191.374   11.198 9.889587 14.79914 
1 1 1  -28    2   75 o   47.439   9.9462   17.785   8.0969   26.133   9.4994  -4.3898   15.483   59.721   12.151   35.158   15.750 24.56297 19.89244 
1 1 1  -28    2   76 o  161.041   5.1616  178.850   11.257  170.610   15.654  187.675   16.200  157.184   7.3493  164.899   7.2496 -7.715363 10.32326 
1 1 1  -28    2   77 o  137.876   5.3413  131.568   9.9712  124.234   13.936  139.260   14.272  133.891   7.6809  141.861   7.4243 -7.969757 10.68252 
1 1 1  -28    2   78 o  149.352   6.3187  159.476   12.235  169.196   15.532  143.578   19.864  156.268   7.3344  142.436   10.291 13.83162 12.63732 
1 1 1  -28    2   79 o  173.405   6.8608  212.500   16.121  211.335   22.858  213.653   22.741  172.893   9.7560  173.917   9.6489 -1.024734 13.72157 
1 1 1  -28    2   80 o  123.390   7.3679  108.519   12.258  123.584   17.728   94.718   16.967  131.878   9.9199  114.903   10.897 16.97459 14.73581 
1 1 1  -28    2   81 o   96.184   8.1501   67.231   10.605   64.877   15.245   69.438   14.762   94.324   11.927   98.044   11.111 -3.719353 16.30023 
1 1 1  -28    2   82 o   58.040   10.752   26.619   8.6627   32.662   12.536   21.095   11.985   64.508   14.671   51.571   15.723 12.93633 21.50484 
1 1 1  -28    2   83 o   82.081   12.193   49.807   13.562   0.0000   0.0000   49.807   13.562  ?   ?    82.081   12.193      ?      ? 
1 1 1  -28    3    1 o  542.624   9.7807  2003.27   71.920  2003.27   71.920   0.0000   0.0000  542.624   9.7807  ?   ?       ?      ? 
1 1 1  -28    3    2 o  590.628   7.3200  2372.07   58.558  2280.29   81.425  2470.39   84.276  578.798   10.381  602.458   10.323 -23.65961 14.63997 
1 1 1  -28    3    3 o  226.478   6.5165  348.159   20.000  348.159   20.000   0.0000   0.0000  226.478   6.5165  ?   ?       ?      ? 
1 1 1  -28    3    4 o   94.037   5.0673   59.941   6.4398   61.374   9.5112   58.729   8.7508   95.066   7.3828   93.008   6.9430 2.058739 10.13465 
1 1 1  -28    3    5 o  281.745   4.7991  539.214   18.305  511.728   25.887  566.702   25.888  274.546   6.9579  288.944   6.6115 -14.39847 9.598145 
1 1 1  -28    3    6 o  262.618   5.2362  460.552   16.352  452.358   18.933  484.611   32.443  258.231   5.4104  267.004   8.9665 -8.772552 10.47235 
1 1 1  -28    3    7 o  266.523   5.6201  485.884   19.252  493.384   23.824  471.769   32.683  269.617   6.5206  263.428   9.1554 6.188904 11.24015 
1 1 1  -28    3    8 o  298.005   5.7885  588.654   21.996  561.924   26.616  646.235   39.064  287.715   6.8264  308.296   9.3503 -20.58170 11.57704 
1 1 1  -28    3    9 o  219.900   5.0932  333.517   13.455  339.812   15.812  317.002   25.613  223.826   5.2131  215.974   8.7514 7.851852 10.18640 
1 1 1  -28    3   10 o  122.664   5.8926  106.920   9.3405  125.194   12.253   81.566   14.432  135.813   6.6575  109.516   9.7245 26.29691 11.78511 
1 1 1  -28    3   11 o  242.055   8.8513  398.199   29.034   0.0000   0.0000  398.199   29.034  ?   ?   242.055   8.8513      ?      ? 
1 1 1  -28    3   12 o  291.021   5.7902  569.669   21.641  557.961   26.519  593.006   37.441  286.704   6.8256  295.337   9.3550 -8.633240 11.58035 
1 1 1  -28    3   13 o  278.471   5.6804  516.806   20.282  497.252   24.719  557.094   35.481  270.664   6.7393  286.277   9.1459 -15.61301 11.36073 
1 1 1  -28    3   14 o  494.106   7.8272  1671.67   49.742  1693.26   61.566  1631.08   84.414  499.105   9.1026  489.107   12.736 9.997314 15.65440 
1 1 1  -28    3   15 o  281.860   5.7594  538.343   20.898  535.428   25.767  543.945   35.723  280.860   6.7700  282.861   9.3194 -2.001038 11.51886 
1 1 1  -28    3   16 o  291.322   4.8548  576.074   19.165  581.371   27.181  570.837   27.027  292.655   6.8538  289.989   6.8776 2.665314 9.709594 
1 1 1  -28    3   17 o  244.445   4.5847  405.579   15.184  395.130   21.452  416.070   21.494  241.285   6.5606  247.606   6.4058 -6.320572 9.169310 
1 1 1  -28    3   18 o  122.605   5.8436  102.358   9.1412  102.826   11.195  101.422   15.835  123.081   6.7120  122.128   9.5677 0.9535065 11.68728 
1 1 1  -28    3   19 o  231.363   5.6088  359.198   16.536  350.992   20.092  376.421   29.109  227.410   6.5199  235.315   9.1284 -7.905350 11.21766 
1 1 1  -28    3   20 o  310.101   4.9814  652.715   20.931  662.255   29.869  643.509   29.340  312.326   7.0571  307.876   7.0325 4.450226 9.962868 
1 1 1  -28    3   21 o  269.789   4.7566  494.017   17.389  497.814   24.782  490.334   24.405  270.808   6.7530  268.770   6.7007 2.038513 9.513298 
1 1 1  -28    3   22 o  263.033   4.7328  469.680   16.868  461.477   23.874  477.857   23.836  260.735   6.7567  265.331   6.6291 -4.596161 9.465626 
1 1 1  -28    3   23 o  291.844   4.8889  578.275   19.333  568.939   27.352  587.596   27.330  289.485   6.9724  294.203   6.8549 -4.717712 9.777724 
1 1 1  -28    3   24 o  102.286   5.0955   71.405   7.0267   65.443   10.161   76.868   9.7275   98.160   7.6389  106.411   6.7457 -8.251717 10.19107 
1 1 1  -28    3   25 o  238.991   4.6675  387.857   15.108  372.997   21.370  402.704   21.362  234.404   6.7276  243.577   6.4716 -9.172897 9.335007 
1 1 1  -28    3   26 o  614.638   9.2641  2540.65   71.977  2682.99  128.845  2476.07   86.781  626.206   15.183  603.070   10.619 23.13605 18.52811 
1 1 1  -28    3   27 o  576.619   8.8363  2242.45   64.571  2340.17  114.723  2197.14   78.119  585.052   14.470  568.186   10.146 16.86584 17.67262 
1 1 1  -28    3   28 o  246.878   5.7314  403.868   17.905  442.714   32.266  386.585   21.522  255.127   9.3327  238.630   6.6555 16.49753 11.46274 
1 1 1  -28    3   29 o  239.067   4.7291  388.248   15.312  378.913   21.856  397.245   21.458  236.234   6.8271  241.901   6.5457 -5.667374 9.458133 
1 1 1  -28    3   30 f  733.858   8.7519  3674.21   87.032  3635.53  122.502  3713.63  123.671  729.956   12.384  737.761   12.370 -7.804749 17.50377 
1 1 1  -28    3   31 o  296.381   6.1146  583.311   22.881  635.418   41.350  560.314   27.470  305.527   9.9873  287.235   7.0574 18.29208 12.22915 
1 1 1  -28    3   32 o  504.378   8.1017  1732.58   52.005  1739.85   90.803  1729.04   63.440  504.629   13.278  504.127   9.2862 0.5019531 16.20345 
1 1 1  -28    3   33 o  411.856   5.8155  1153.01   32.454  1127.39   45.692  1179.08   46.104  407.231   8.2797  416.481   8.1688 -9.249634 11.63110 
1 1 1  -28    3   34 o  151.626   4.7769  156.010   9.8079  159.042   14.200  153.242   13.563  153.030   6.8473  150.223   6.6625 2.807022 9.553800 
1 1 1  -28    3   35 o  252.291   4.8232  432.235   16.485  434.603   23.631  429.989   23.008  252.958   6.8938  251.624   6.7475 1.333633 9.646398 
1 1 1  -28    3   36 o  263.616   4.9096  471.704   17.532  487.519   25.178  456.817   24.428  267.903   6.9352  259.329   6.9511 8.574402 9.819103 
1 1 1  -28    3   37 o  233.991   4.8255  371.702   15.294  356.511   21.383  387.614   21.885  229.093   6.8877  238.889   6.7603 -9.795624 9.651034 
1 1 1  -28    3   38 o  371.333   6.9281  945.281   32.750  957.363   40.113  921.126   56.719  375.255   7.8882  367.410   11.392 7.844421 13.85626 
1 1 1  -28    3   39 o  508.852   8.2789  1780.11   53.844  1805.63   66.245  1730.43   92.428  514.927   9.4935  502.777   13.566 12.14975 16.55773 
1 1 1  -28    3   40 o  367.380   5.5501  917.642   27.629  924.518   39.387  910.980   38.767  368.730   7.8825  366.031   7.8155 2.698730 11.10030 
1 1 1  -28    3   41 o  219.199   4.8478  326.037   14.391  340.251   20.788  312.958   19.941  223.781   6.8550  214.618   6.8566 9.162872 9.695523 
1 1 1  -28    3   42 o  279.483   6.0281  532.266   21.850  533.962   27.234  529.202   36.602  280.287   7.1702  278.678   9.6922 1.609558 12.05614 
1 1 1  -28    3   43 o   82.829   7.7036   44.851   8.0921   30.459   10.303   68.024   13.073   65.751   12.006   99.908   9.6562 -34.15652 15.40712 
1 1 1  -28    3   44 o  370.414   5.6140  932.632   28.169  965.265   40.513  902.091   39.193  376.681   7.9366  364.145   7.9423 12.53613 11.22810 
1 1 1  -28    3   45 o  277.642   5.0596  524.090   19.035  518.368   26.950  529.786   26.890  276.124   7.2023  279.161   7.1081 -3.036804 10.11923 
1 1 1  -28    3   46 f  258.118   4.9888  452.912   17.448  454.971   24.901  450.927   24.455  258.688   7.1031  257.548   7.0070 1.140381 9.977625 
1 1 1  -28    3   47 o  277.463   6.0558  522.292   21.810  517.403   27.129  531.223   36.672  275.833   7.2579  279.093   9.6961 -3.260773 12.11163 
1 1 1  -28    3   48 o  110.316   7.9553   83.198   11.731   83.228   18.143   83.176   15.377  110.252   12.144  110.380   10.280 -0.1281509 15.91052 
1 1 1  -28    3   49 o  347.312   7.7350  820.909   36.405   0.0000   0.0000  820.909   36.405  ?   ?   347.312   7.7350      ?      ? 
1 1 1  -28    3   50 o  204.263   6.9527  283.734   19.245   0.0000   0.0000  283.734   19.245  ?   ?   204.263   6.9527      ?      ? 
1 1 1  -28    3   51 o  282.805   6.3620  539.302   22.771  562.101   40.550  528.800   27.520  286.819   10.433  278.791   7.2843 8.027618 12.72409 
1 1 1  -28    3   52 o  379.257   5.7542  979.705   29.573  982.627   42.019  976.837   41.628  379.811   8.1638  378.703   8.1115 1.107880 11.50848 
1 1 1  -28    3   53 o  144.021   7.7635  141.235   15.152   0.0000   0.0000  141.235   15.152  ?   ?   144.021   7.7635      ?      ? 
1 1 1  -28    3   54 o  408.408   5.9859  1136.97   33.126  1137.64   47.132  1136.31   46.569  408.512   8.5138  408.303   8.4165 0.2094727 11.97174 
1 1 1  -28    3   55 o   73.033   10.693   38.213   9.5702   39.233   11.412   35.797   17.568   75.689   11.126   70.377   18.263 5.312683 21.38512 
1 1 1  -28    3   56 o  227.351   6.4186  352.574   18.356  352.183   22.166  353.429   32.747  227.460   7.1911  227.242   10.634 0.2178802 12.83723 
1 1 1  -28    3   57 o  145.788   5.3174  144.717   10.503  148.553   15.006  141.032   14.707  147.684   7.4979  143.893   7.5421 3.791077 10.63488 
1 1 1  -28    3   58 o  239.198   5.0967  389.658   16.513  374.216   23.263  405.339   23.443  234.402   7.3237  243.994   7.0902 -9.592224 10.19347 
1 1 1  -28    3   59 o  110.911   5.9373   83.794   8.9121   90.040   12.884   78.063   12.340  114.879   8.2764  106.944   8.5152 7.934631 11.87465 
1 1 1  -28    3   60 o  110.032   6.1120   82.400   9.0879   91.621   13.250   74.208   12.488  115.845   8.4401  104.218   8.8426 11.62681 12.22405 
1 1 1  -28    3   61 o  499.272   6.7451  1706.34   45.635  1696.04   64.484  1716.69   64.592  497.750   9.5601  500.793   9.5178 -3.043671 13.49015 
1 1 1  -28    3   62 o  432.221   7.5099  1287.43   41.911  1298.09   52.060  1267.80   70.649  435.670   8.8179  428.772   12.159 6.898193 15.01989 
1 1 1  -28    3   63 f  299.572   5.3602  612.529   21.758  614.591   31.044  610.539   30.503  300.052   7.6347  299.093   7.5259 0.9591675 10.72041 
1 1 1  -28    3   64 o  289.293   5.2982  571.312   20.767  578.979   29.711  563.989   29.039  291.179   7.5295  287.406   7.4559 3.772491 10.59640 
1 1 1  -28    3   65 o  118.472   6.8342   91.381   10.505  114.129   18.329   80.253   12.820  128.728   10.507  108.216   8.7420 20.51167 13.66842 
1 1 1  -28    3   66 f  189.448   6.1890  249.177   15.083  236.307   25.366  256.217   18.761  185.232   10.105  193.663   7.1486 -8.430618 12.37807 
1 1 1  -28    3   67 o  128.559   5.6878  113.522   9.8838  106.177   14.140  120.539   13.821  124.421   8.3862  132.697   7.6861 -8.276833 11.37562 
1 1 1  -28    3   68 o  228.017   6.4530  352.552   18.419  371.702   33.525  344.272   22.044  231.736   10.676  224.298   7.2525 7.437698 12.90605 
1 1 1  -28    3   69 o  105.496   6.4775   75.940   9.0963   97.941   13.576   58.019   12.253  119.368   8.3929   91.624   9.8688 27.74435 12.95508 
1 1 1  -28    3   70 o  152.242   5.4099  159.145   11.139  146.370   15.628  172.334   15.880  145.965   7.9008  158.518   7.3923 -12.55328 10.81989 
1 1 1  -28    3   71 o  236.638   6.5146  385.164   19.434  381.589   23.480  392.938   34.627  235.773   7.3490  237.503   10.759 -1.730209 13.02926 
1 1 1  -28    3   72 o  185.506   5.1171  236.311   12.861  241.311   18.396  231.529   17.989  187.423   7.2429  183.589   7.2306 3.833679 10.23430 
1 1 1  -28    3   73 o  145.329   5.3436  145.288   10.502  158.665   15.121  132.822   14.597  151.849   7.3483  138.810   7.7600 13.03854 10.68715 
1 1 1  -28    3   74 o  342.539   5.6275  810.559   26.117  831.461   37.309  790.473   36.573  346.887   7.9367  338.192   7.9803 8.694244 11.25507 
1 1 1  -28    3   75 o  269.904   5.2440  502.809   19.179  510.918   27.313  494.922   26.936  272.056   7.4085  267.753   7.4238 4.302887 10.48798 
1 1 1  -28    3   76 o  111.533   5.7909   86.390   8.7523   85.728   12.340   87.060   12.416  111.101   8.1960  111.965   8.1830 -0.8640747 11.58173 
1 1 1  -28    3   77 o   62.721   9.5413   31.432   7.8921   38.905   10.111   19.777   12.626   74.273   10.045   51.169   16.225 23.10379 19.08266 
1 1 1  -28    3   78 o  131.539   6.5719  125.781   11.134  138.257   14.212  105.958   17.915  141.141   7.4306  121.937   10.842 19.20353 13.14372 
1 1 1  -28    3   79 o   69.674   10.246   37.203   9.3587   39.034   13.332   35.424   13.140   71.528   14.255   67.820   14.720 3.707848 20.49114 
1 1 1  -28    3   80 o   64.695   15.342   32.857   13.246   32.857   13.246   0.0000   0.0000   64.695   15.342  ?   ?       ?      ? 
1 1 1  -28    3   81 o  128.455   10.360  118.487   18.034  118.487   18.034   0.0000   0.0000  128.455   10.360  ?   ?       ?      ? 
1 1 1  -28    3   82 o  113.231   10.831   92.938   16.619   0.0000   0.0000   92.938   16.619  ?   ?   113.231   10.831      ?      ? 
1 1 1  -28    4    1 o  276.192   5.7864  512.438   20.014  534.159   36.356  502.993   23.974  280.186   9.5753  272.197   6.4995 7.989044 11.57280 
1 1 1  -28    4    2 o  431.276   7.2399  1281.84   39.770  1219.62   68.368  1313.65   48.893  422.906   11.930  439.647   8.2065 -16.74103 14.47977 
1 1 1  -28    4    3 o  379.886   6.7407  996.624   32.612  937.297   55.901  1027.23   40.152  370.909   11.122  388.863   7.6196 -17.95343 13.48140 
1 1 1  -28    4    4 f  451.654   7.4426  1400.77   42.861  1353.37   73.833  1424.86   52.638  445.458   12.231  457.849   8.4839 -12.39130 14.88528 
1 1 1  -28    4    5 o  640.991   8.9299  2762.30   66.851  2723.31   76.777  2884.54  135.940  632.873   8.9522  649.110   15.454 -16.23663 17.85983 
1 1 1  -28    4    6 o  402.037   6.3495  1066.58   29.921  1035.98   34.302  1163.94   61.186  390.667   6.4793  413.406   10.922 -22.73929 12.69908 
1 1 1  -28    4    7 o  122.865   5.1532  106.620   7.6832  112.388   9.1759   93.088   14.054  128.715   5.2606  117.016   8.8626 11.69912 10.30631 
1 1 1  -28    4    8 o  287.295   5.3795  552.441   18.470  543.515   21.453  578.016   36.313  283.036   5.5932  291.554   9.1909 -8.517761 10.75905 
1 1 1  -28    4    9 o  127.965   4.9948  111.007   7.8732  110.760   9.3503  111.609   14.595  127.776   5.4000  128.154   8.4042 -0.3774796 9.989554 
1 1 1  -28    4   10 f  309.507   5.6015  648.749   20.759  646.459   24.210  655.107   40.341  308.667   5.7879  310.347   9.5922 -1.679352 11.20308 
1 1 1  -28    4   11 o  491.551   7.2963  1621.07   42.205  1597.88   48.643  1691.68   84.884  485.067   7.4001  498.034   12.577 -12.96762 14.59268 
1 1 1  -28    4   12 o  318.473   5.7348  695.204   22.021  702.660   25.880  675.646   41.917  321.795   5.9347  315.151   9.8149 6.644592 11.46967 
1 1 1  -28    4   13 o  671.579   9.9055  3059.17   85.032  3016.47  103.883  3145.85  148.023  665.403   11.521  677.755   16.117 -12.35205 19.81093 
1 1 1  -28    4   14 o  434.942   7.2395  1293.76   40.824  1309.89   50.989  1264.96   68.139  439.018   8.5705  430.867   11.670 8.151215 14.47898 
1 1 1  -28    4   15 o  676.705   9.3649  3095.38   74.337  3065.89   85.654  3185.41  149.642  671.440   9.4136  681.969   16.192 -10.52844 18.72979 
1 1 1  -28    4   16 o  316.867   5.7010  680.126   21.720  677.780   25.393  686.524   41.928  316.047   5.9289  317.687   9.7392 -1.640045 11.40193 
1 1 1  -28    4   17 o  491.561   7.7948  1651.38   49.309  1664.56   60.991  1626.50   83.782  494.798   9.0961  488.325   12.661 6.472809 15.58950 
1 1 1  -28    4   18 o  314.767   4.9948  672.724   21.302  672.648   30.406  672.797   29.852  314.744   7.1289  314.791   6.9979 -0.4721069E-01 9.989560 
1 1 1  -28    4   19 o  130.415   4.6564  116.333   8.1564   99.980   11.655  132.032   11.419  121.345   7.0876  139.486   6.0410 -18.14108 9.312734 
1 1 1  -28    4   20 o  294.338   6.0169  581.247   22.569  567.138   27.417  610.901   39.748  289.014   7.0002  299.661   9.7882 -10.64777 12.03382 
1 1 1  -28    4   21 o  133.617   6.6721  121.240   12.052  109.879   16.711  133.554   17.398  127.090   9.7028  140.144   9.1609 -13.05447 13.34413 
1 1 1  -28    4   22 o  403.302   6.9312  1103.30   35.643  1116.52   62.137  1096.81   43.513  404.819   11.327  401.785   7.9917 3.033966 13.86234 
1 1 1  -28    4   23 o  664.943   9.8536  2985.02   82.982  3122.89  147.667  2921.39  100.321  675.079   16.142  654.808   11.306 20.27069 19.70712 
1 1 1  -28    4   24 o  464.476   6.2216  1463.16   39.109  1539.29   57.120  1395.97   53.658  475.812   8.8587  453.141   8.7381 22.67151 12.44312 
1 1 1  -28    4   25 o  385.989   5.5677  1012.05   29.117  1022.98   41.694  1001.64   40.679  388.016   7.9294  383.962   7.8180 4.053711 11.13540 
1 1 1  -28    4   26 o  443.957   6.0423  1338.74   36.335  1377.49   52.378  1302.80   50.446  450.138   8.5866  437.777   8.5033 12.36075 12.08459 
1 1 1  -28    4   27 o  273.035   4.8326  505.242   17.863  529.708   25.954  483.219   24.624  279.302   6.8571  266.768   6.8115 12.53397 9.665229 
1 1 1  -28    4   28 o  352.662   5.3335  844.830   25.484  849.800   36.444  840.074   35.649  353.669   7.6040  351.654   7.4809 2.014618 10.66701 
1 1 1  -28    4   29 o  210.519   4.6143  301.151   13.152  291.692   18.791  310.234   18.415  207.264   6.6904  213.773   6.3566 -6.508240 9.228654 
1 1 1  -28    4   30 o  283.807   4.9146  545.947   18.881  570.974   27.492  523.604   25.976  289.947   6.9968  277.668   6.9034 12.27905 9.829141 
1 1 1  -28    4   31 o  131.742   4.8976  117.191   8.7172  129.736   12.879  106.584   11.842  138.213   6.8760  125.270   6.9761 12.94273 9.795148 
1 1 1  -28    4   32 o  456.854   7.6168  1421.32   44.270  1425.68   77.332  1419.20   53.992  456.919   12.489  456.790   8.7223 0.1289063 15.23362 
1 1 1  -28    4   33 o  410.639   7.1709  1151.94   37.525  1138.58   65.096  1158.59   45.924  408.480   11.760  412.799   8.2095 -4.318604 14.34182 
1 1 1  -28    4   34 o  226.269   4.7653  347.795   14.607  338.155   20.660  357.429   20.655  223.126   6.8329  229.412   6.6441 -6.285980 9.530560 
1 1 1  -28    4   35 o  286.298   5.0010  556.902   19.401  554.313   27.601  559.429   27.275  285.634   7.1306  286.962   7.0139 -1.327728 10.00205 
1 1 1  -28    4   36 o  315.873   5.1998  677.631   22.249  693.101   32.011  663.172   30.947  319.353   7.3968  312.393   7.3102 6.960297 10.39957 
1 1 1  -28    4   37 o  323.527   5.2403  711.479   22.972  704.153   32.636  718.673   32.340  321.867   7.4824  325.188   7.3387 -3.320831 10.48060 
1 1 1  -28    4   38 o  243.700   4.8690  402.945   16.068  419.830   23.247  387.497   22.235  248.580   6.9010  238.819   6.8705 9.760986 9.737944 
1 1 1  -28    4   39 o  515.659   8.3672  1815.72   54.871  1814.17   66.917  1818.90   95.862  516.054   9.5689  515.265   13.729 0.7883911 16.73450 
1 1 1  -28    4   40 o  320.093   6.2813  693.844   25.973  685.451   32.102  709.750   44.194  317.529   7.4606  322.657   10.107 -5.128082 12.56258 
1 1 1  -28    4   41 o  182.113   5.6782  226.560   13.573  229.512   17.239  221.747   22.015  183.773   6.9224  180.454   9.0027 3.320023 11.35638 
1 1 1  -28    4   42 o  169.709   4.9586  195.740   11.403  197.323   16.227  194.195   16.028  170.385   7.0278  169.032   6.9973 1.353500 9.917283 
1 1 1  -28    4   43 o  215.658   6.6860  316.203   19.479  326.203   28.878  307.855   26.386  218.740   9.7423  212.576   9.1595 6.165024 13.37190 
1 1 1  -28    4   44 o  410.924   7.2557  1135.96   37.736  1197.56   67.367  1107.79   45.554  418.439   11.880  403.409   8.3330 15.03064 14.51148 
1 1 1  -28    4   45 o  471.598   6.4029  1515.21   40.916  1486.78   57.511  1544.34   58.223  467.112   9.0854  476.085   9.0245 -8.973907 12.80576 
1 1 1  -28    4   46 f  107.838   5.8215   79.042   8.4976   81.785   12.382   76.600   11.683  109.597   8.3370  106.079   8.1273 3.518074 11.64303 
1 1 1  -28    4   47 o  331.914   5.3880  749.556   24.233  752.332   34.512  746.857   34.033  332.512   7.6591  331.315   7.5801 1.197754 10.77591 
1 1 1  -28    4   48 o  196.906   6.2773  269.983   15.470  248.873   27.240  280.033   18.795  190.867   10.532  202.944   6.8340 -12.07678 12.55459 
1 1 1  -28    4   49 o  340.044   7.6540  786.974   35.270   0.0000   0.0000  786.974   35.270  ?   ?   340.044   7.6540      ?      ? 
1 1 1  -28    4   50 o  313.534   6.5076  667.353   25.869  679.395   45.651  661.657   31.396  315.247   10.686  311.820   7.4300 3.427887 13.01518 
1 1 1  -28    4   51 o  453.626   6.3219  1402.88   38.855  1421.08   55.594  1385.50   54.327  456.487   8.9871  450.765   8.8937 5.721832 12.64378 
1 1 1  -28    4   52 o  496.800   6.6855  1683.91   44.998  1716.77   64.542  1652.83   62.767  501.497   9.4971  492.102   9.4123 9.394897 13.37110 
1 1 1  -28    4   53 o  260.304   5.1450  461.213   18.144  459.073   25.919  463.269   25.409  259.698   7.3650  260.910   7.1863 -1.212738 10.29007 
1 1 1  -28    4   54 o  241.303   5.0823  395.875   16.610  410.369   23.972  382.492   23.035  245.544   7.2044  237.062   7.1705 8.481857 10.16461 
1 1 1  -28    4   55 o   94.303   8.4097   58.726   10.056   54.855   12.062   67.549   18.211   89.579   9.9367   99.028   13.570 -9.449028 16.81946 
1 1 1  -28    4   56 o  220.146   6.3318  318.850   17.579  299.751   21.002  363.540   32.127  209.797   7.3873  230.495   10.286 -20.69843 12.66353 
1 1 1  -28    4   57 o  174.639   5.2025  207.577   12.300  211.299   17.855  204.215   16.969  176.113   7.4816  173.166   7.2312 2.946426 10.40503 
1 1 1  -28    4   58 o  156.352   5.3431  166.756   11.309  162.291   16.230  170.969   15.766  154.290   7.7626  158.413   7.3443 -4.122559 10.68627 
1 1 1  -28    4   59 f  508.391   6.8209  1767.04   46.969  1701.86   65.296  1836.93   67.612  498.676   9.6624  518.106   9.6299 -19.42935 13.64174 
1 1 1  -28    4   60 o  148.729   6.3209  152.343   12.377  156.146   15.850  146.401   19.812  151.294   7.7311  146.165   10.002 5.129074 12.64188 
1 1 1  -28    4   61 o  274.510   6.2629  518.935   22.399  528.699   28.206  502.264   36.855  278.399   7.4764  270.620   10.050 7.779419 12.52579 
1 1 1  -28    4   62 o  231.925   5.1356  366.560   16.131  377.492   23.320  356.532   22.337  235.225   7.3158  228.624   7.2096 6.601105 10.27127 
1 1 1  -28    4   63 o  177.296   5.2082  214.684   12.504  211.592   17.946  217.601   17.433  176.026   7.5234  178.566   7.2041 -2.539536 10.41635 
1 1 1  -28    4   64 o  244.553   5.1658  407.352   17.096  431.965   24.962  385.604   23.464  251.487   7.3245  237.619   7.2867 13.86852 10.33167 
1 1 1  -28    4   65 o  286.586   6.3861  556.195   23.370  586.581   40.987  541.558   28.447  291.716   10.368  281.456   7.4583 10.26096 12.77214 
1 1 1  -28    4   66 o  209.150   5.2031  298.837   14.722  304.912   21.541  293.513   20.167  211.096   7.5303  207.204   7.1821 3.891968 10.40613 
1 1 1  -28    4   67 f  234.367   6.6857  391.422   19.498  343.711   34.133  414.534   23.756  222.560   11.317  246.173   7.1212 -23.61299 13.37134 
1 1 1  -28    4   68 o  242.111   5.2280  401.724   17.129  374.994   24.077  429.115   24.373  233.880   7.5967  250.342   7.1844 -16.46257 10.45590 
1 1 1  -28    4   69 o  114.831   6.0301   90.862   9.3671   89.296   13.583   92.281   12.935  113.826   8.8061  115.835   8.2401 -2.008713 12.06013 
1 1 1  -28    4   70 o  203.927   6.7046  293.951   17.140  305.044   20.879  271.022   30.018  210.830   7.3080  197.024   11.243 13.80563 13.40918 
1 1 1  -28    4   71 o  179.090   6.5561  217.635   14.781  210.140   17.735  234.684   26.748  174.830   7.4857  183.349   10.765 -8.518372 13.11226 
1 1 1  -28    4   72 o  114.776   5.8911   90.743   9.1366  100.930   13.293   81.623   12.578  120.920   8.1124  108.632   8.5445 12.28783 11.78218 
1 1 1  -28    4   73 o  187.845   5.1289  242.909   13.027  221.962   18.195  264.940   18.660  179.442   7.4825  196.248   7.0167 -16.80630 10.25777 
1 1 1  -28    4   74 o  192.502   5.0791  255.438   13.236  240.188   18.568  271.194   18.873  186.587   7.3434  198.418   7.0189 -11.83119 10.15826 
1 1 1  -28    4   75 o   53.386   8.7230   20.402   6.7781   33.592   9.9097   8.8066   9.2916   69.003   10.598   37.769   13.858 31.23411 17.44596 
1 1 1  -28    4   76 o  109.288   6.6564   83.018   9.5503   80.729   12.029   86.922   15.708  107.704   8.2416  110.872   10.455 -3.167450 13.31275 
1 1 1  -28    4   77 o  171.617   6.0214  202.630   13.494  194.232   16.814  217.829   22.620  167.331   7.4149  175.904   9.4892 -8.573364 12.04270 
1 1 1  -28    4   78 o   94.428   8.1357   64.054   10.401   67.445   15.082   60.978   14.363   96.811   11.496   92.044   11.515 4.767487 16.27137 
1 1 1  -28    4   79 o  116.141   7.6387   95.958   11.898  116.701   17.650   78.679   16.109  127.910   10.182  104.372   11.389 23.53822 15.27730 
1 1 1  -28    4   80 o  209.022   6.9342  311.728   19.633  306.743   28.013  316.540   27.524  207.196   9.9769  210.849   9.6330 -3.652649 13.86845 
1 1 1  -28    4   81 o   84.634   11.981   52.615   13.741   0.0000   0.0000   52.615   13.741  ?   ?    84.634   11.981      ?      ? 
1 1 1  -28    4   82 o  102.164   10.976   76.024   15.196   0.0000   0.0000   76.024   15.196  ?   ?   102.164   10.976      ?      ? 
1 1 1  -28    5    1 o  245.198   5.6446  415.831   18.054  437.796   22.990  380.490   29.162  253.910   6.6814  236.486   9.0996 17.42343 11.28913 
1 1 1  -28    5    2 o  196.832   5.4050  263.050   13.913  262.467   17.508  264.050   22.921  196.609   6.5711  197.055   8.5836 -0.4454041 10.81008 
1 1 1  -28    5    3 o  395.552   5.5839  1063.78   29.912  1048.58   42.900  1078.16   41.728  392.776   8.0599  398.327   7.7304 -5.551239 11.16788 
1 1 1  -28    5    4 o  431.060   8.4628  1263.30   49.435  1263.30   49.435   0.0000   0.0000  431.060   8.4628  ?   ?       ?      ? 
1 1 1  -28    5    5 o   84.688   6.0907   48.681   6.9899   48.681   6.9899   0.0000   0.0000   84.688   6.0907  ?   ?       ?      ? 
1 1 1  -28    5    6 o  271.426   5.2841  504.464   17.306  509.344   20.342  491.679   32.927  273.984   5.4789  268.868   9.0371 5.116150 10.56821 
1 1 1  -28    5    7 o  222.360   4.9398  326.867   13.320  316.401   15.548  355.735   25.822  215.953   5.3130  228.766   8.3294 -12.81331 9.879657 
1 1 1  -28    5    8 o  714.715   9.7793  3445.56   81.674  3401.50   93.863  3582.93  165.727  706.977   9.7973  722.452   16.928 -15.47455 19.55866 
1 1 1  -28    5    9 o  188.173   4.9473  244.490   11.376  250.057   13.526  231.029   21.032  191.989   5.1987  184.356   8.4188 7.632614 9.894577 
1 1 1  -28    5   10 o  262.798   5.1909  458.071   16.473  445.415   19.198  493.403   32.076  256.216   5.5293  269.381   8.7869 -13.16531 10.38188 
1 1 1  -28    5   11 o  128.013   5.0475  112.718   8.0703  115.073   9.7418  107.567   14.408  130.230   5.5201  125.796   8.4521 4.434769 10.09501 
1 1 1  -28    5   12 o  461.574   12.032  1452.96   75.262   0.0000   0.0000  1452.96   75.262  ?   ?   461.574   12.032      ?      ? 
1 1 1  -28    5   13 o   65.271   7.4392   29.742   6.3385   31.701   8.5005   27.289   9.5127   68.271   9.1880   62.271   11.702 5.999664 14.87846 
1 1 1  -28    5   14 o  161.027   6.5068  177.398   13.892  171.157   21.844  181.636   18.001  158.568   10.166  163.487   8.1249 -4.918564 13.01369 
1 1 1  -28    5   15 o   78.681   9.0611   44.694   8.6575   38.332   14.983   47.884   10.608   73.461   15.536   83.902   9.3297 -10.44067 18.12217 
1 1 1  -28    5   16 o  455.650   11.971  1415.81   73.918   0.0000   0.0000  1415.81   73.918  ?   ?   455.650   11.971      ?      ? 
1 1 1  -28    5   17 o  137.608   5.0725  128.658   8.8223  128.758   10.699  128.445   15.593  137.749   5.7318  137.467   8.3706 0.2827759 10.14499 
1 1 1  -28    5   18 o  265.396   5.3404  479.721   17.252  481.322   20.355  475.636   32.506  266.336   5.6398  264.456   9.0705 1.879517 10.68088 
1 1 1  -28    5   19 o  185.066   5.0636  234.824   11.590  238.134   13.862  227.138   21.127  187.344   5.4602  182.789   8.5290 4.554657 10.12710 
1 1 1  -28    5   20 o  718.463   8.5801  3520.77   83.533  3477.27  117.459  3565.28  118.819  713.971   12.140  722.955   12.128 -8.984497 17.16025 
1 1 1  -28    5   21 o  219.243   5.7965  335.970   16.194  356.672   20.131  298.013   27.259  229.212   6.4811  209.275   9.6120 19.93744 11.59290 
1 1 1  -28    5   22 o  276.946   5.9531  518.348   21.026  512.465   25.639  530.432   36.743  274.711   6.8871  279.181   9.7121 -4.469696 11.90615 
1 1 1  -28    5   23 o   87.572   5.4827   52.521   6.4421   48.579   9.5902   55.762   8.6962   84.534   8.3717   90.611   7.0822 -6.077065 10.96550 
1 1 1  -28    5   24 o  441.006   6.0043  1321.47   35.869  1351.29   51.622  1293.63   49.875  445.804   8.5449  436.208   8.4374 9.595703 12.00856 
1 1 1  -28    5   25 f  399.465   5.6649  1084.52   30.662  1087.06   43.740  1082.06   42.994  399.917   8.0710  399.014   7.9514 0.9028015 11.32985 
1 1 1  -28    5   26 o  193.871   4.5662  255.395   11.981  250.591   17.292  259.829   16.615  192.105   6.6424  195.637   6.2672 -3.531906 9.132337 
1 1 1  -28    5   27 o  260.361   4.7970  460.298   16.906  431.638   23.700  489.993   24.124  252.096   6.9373  268.625   6.6270 -16.52888 9.593903 
1 1 1  -28    5   28 o  364.241   5.4310  901.144   26.799  921.455   38.460  881.973   37.364  368.224   7.7075  360.257   7.6535 7.967590 10.86190 
1 1 1  -28    5   29 o  219.140   4.6626  325.957   13.842  331.756   19.887  320.508   19.277  221.026   6.6397  217.254   6.5477 3.772568 9.325133 
1 1 1  -28    5   30 o  567.510   7.1571  2192.73   55.026  2240.65   78.997  2147.57   76.692  573.517   10.164  561.503   10.079 12.01331 14.31427 
1 1 1  -28    5   31 o  438.976   6.0454  1310.29   35.955  1274.57   50.372  1347.38   51.337  432.872   8.5871  445.079   8.5116 -12.20743 12.09071 
1 1 1  -28    5   32 o  358.482   5.4451  873.645   26.448  862.550   37.554  884.563   37.255  356.211   7.7797  360.752   7.6206 -4.540436 10.89028 
1 1 1  -28    5   33 o  190.417   5.9056  241.736   14.002  258.975   25.858  234.584   16.656  194.990   9.7860  185.845   6.6135 9.144485 11.81116 
1 1 1  -28    5   34 o  156.415   4.8457  166.149   10.251  167.139   14.990  165.278   14.051  156.840   7.0528  155.989   6.6470 0.8513794 9.691450 
1 1 1  -28    5   35 o  421.891   5.9275  1210.93   33.887  1204.16   48.078  1217.61   47.769  420.709   8.4330  423.073   8.3321 -2.363495 11.85492 
1 1 1  -28    5   36 o  168.306   5.6173  194.350   12.485  200.771   16.104  184.676   19.767  171.896   6.9133  164.715   8.8555 7.181320 11.23450 
1 1 1  -28    5   37 o  177.360   5.5405  210.868   12.985  200.888   16.448  227.378   21.156  171.931   7.0596  182.790   8.5410 -10.85878 11.08092 
1 1 1  -28    5   38 o  195.615   6.5750  260.890   17.359  257.801   25.645  263.503   23.584  194.496   9.7299  196.734   8.8460 -2.237915 13.15002 
1 1 1  -28    5   39 o  389.167   8.2177  1034.06   43.309  1089.03   62.121  982.076   60.410  399.261   11.481  379.072   11.760 20.18881 16.43533 
1 1 1  -28    5   40 o  339.092   6.7377  790.663   29.136  805.038   35.800  762.464   50.142  344.042   7.6787  334.142   11.073 9.900024 13.47531 
1 1 1  -28    5   41 o  248.612   4.9254  419.207   16.576  442.216   24.115  398.599   22.822  255.063   6.9768  242.160   6.9544 12.90282 9.850892 
1 1 1  -28    5   42 o  117.699   5.5682   95.437   8.7422   77.055   12.476  113.171   12.254  106.373   8.6547  129.025   7.0083 -22.65205 11.13646 
1 1 1  -28    5   43 o  202.406   4.8857  278.833   13.383  263.997   19.017  293.389   18.837  197.045   7.1218  207.767   6.6903 -10.72205 9.771396 
1 1 1  -28    5   44 o  333.794   5.3857  758.061   24.356  756.331   34.782  759.725   34.117  333.405   7.6984  334.182   7.5338 -0.7766418 10.77135 
1 1 1  -28    5   45 o  383.108   7.0059  990.410   33.898  1032.32   60.598  971.324   40.894  388.468   11.511  377.749   7.9887 10.71844 14.01174 
1 1 1  -28    5   46 o  213.415   6.1474  314.257   16.482  299.691   29.097  321.138   20.000  209.495   10.249  217.334   6.7907 -7.838837 12.29483 
1 1 1  -28    5   47 o  283.072   5.1896  544.572   19.874  554.883   29.072  535.526   27.230  285.557   7.5128  280.587   7.1614 4.970154 10.37917 
1 1 1  -28    5   48 o  237.321   4.9999  383.496   16.063  370.542   22.980  395.872   22.461  233.372   7.2663  241.270   6.8699 -7.897415 9.999729 
1 1 1  -28    5   49 o  230.224   6.1903  367.047   18.026  345.018   31.296  377.984   22.052  224.707   10.278  235.740   6.9028 -11.03302 12.38054 
1 1 1  -28    5   50 o  238.177   6.2478  391.269   18.920  373.744   32.666  400.117   23.210  233.844   10.308  242.510   7.0626 -8.666901 12.49560 
1 1 1  -28    5   51 o  349.993   5.5601  834.473   26.365  823.530   37.514  845.155   37.063  347.703   7.9617  352.284   7.7635 -4.581573 11.12029 
1 1 1  -28    5   52 o  371.299   5.6911  939.447   28.630  918.170   40.473  960.757   40.505  367.068   8.1365  375.530   7.9594 -8.462280 11.38219 
1 1 1  -28    5   53 o  127.805   5.7053  111.205   9.8631  113.075   14.442  109.571   13.503  128.792   8.2747  126.818   7.8570 1.973625 11.41066 
1 1 1  -28    5   54 f  416.672   6.0478  1184.24   34.145  1187.58   48.681  1181.00   47.905  417.232   8.6099  416.112   8.4954 1.119324 12.09559 
1 1 1  -28    5   55 o  393.765   7.3756  1074.63   37.155  1103.18   45.917  1020.49   63.235  402.139   8.4258  385.391   12.108 16.74762 14.75115 
1 1 1  -28    5   56 o  239.491   6.5255  399.148   19.888  414.248   24.526  370.154   33.985  246.598   7.3392  232.383   10.792 14.21452 13.05098 
1 1 1  -28    5   57 o  170.917   5.2072  199.517   12.032  186.854   17.203  211.643   16.834  165.555   7.6680  176.279   7.0472 -10.72343 10.41448 
1 1 1  -28    5   58 o   86.317   7.0989   51.182   8.2792   47.360   11.821   54.861   11.599   83.102   10.497   89.533   9.5600 -6.430550 14.19788 
1 1 1  -28    5   59 o  203.878   6.0022  282.861   16.055  279.492   20.254  288.557   26.335  202.458   7.3823  205.298   9.4660 -2.840652 12.00430 
1 1 1  -28    5   60 o  106.451   6.3661   77.619   9.1622   76.482   13.364   78.627   12.586  105.676   9.3319  107.227   8.6616 -1.550896 12.73213 
1 1 1  -28    5   61 o  268.920   7.4999  493.652   27.332  493.652   27.332   0.0000   0.0000  268.920   7.4999  ?   ?       ?      ? 
1 1 1  -28    5   62 o  327.685   5.4930  733.797   24.384  708.147   34.338  759.887   34.631  321.871   7.8724  333.498   7.6629 -11.62759 10.98609 
1 1 1  -28    5   63 o  126.569   5.7419  109.692   9.8370  108.444   14.211  110.839   13.630  125.844   8.3333  127.294   7.9014 -1.449684 11.48375 
1 1 1  -28    5   64 o  169.462   5.2520  196.788   12.026  180.611   17.071  212.727   16.945  162.464   7.7538  176.460   7.0861 -13.99660 10.50396 
1 1 1  -28    5   65 o  121.761   7.8831  101.563   13.007   0.0000   0.0000  101.563   13.007  ?   ?   121.761   7.8831      ?      ? 
1 1 1  -28    5   66 o  112.556   8.3129   94.012   11.029   75.354   20.464  101.651   13.093  103.362   14.610  121.751   7.9357 -18.38853 16.62582 
1 1 1  -28    5   67 o  231.549   5.1702  367.124   16.214  372.574   23.394  362.086   22.492  233.170   7.4038  229.928   7.2185 3.241302 10.34033 
1 1 1  -28    5   68 o  122.405   5.8123  103.235   9.6243   98.630   13.805  107.589   13.425  119.679   8.5120  125.132   7.9169 -5.452843 11.62464 
1 1 1  -28    5   69 o  127.118   5.7113  111.751   9.7817   99.203   13.941  123.921   13.729  119.928   8.5779  134.307   7.5430 -14.37968 11.42267 
1 1 1  -28    5   70 o  233.439   6.5628  381.314   19.420  388.487   23.756  366.866   33.717  237.741   7.3738  229.136   10.858 8.604614 13.12551 
1 1 1  -28    5   71 o   68.368   8.6433   34.404   7.5854   20.281   10.541   49.571   10.924   52.305   14.411   84.432   9.5476 -32.12755 17.28669 
1 1 1  -28    5   72 o  121.964   5.7085  103.149   9.4035   94.981   13.427  111.012   13.174  117.091   8.4619  126.838   7.6644 -9.746864 11.41698 
1 1 1  -28    5   73 o   39.852   9.7629   10.454   6.5607   7.0630   9.3828   13.698   9.1770   36.084   13.781   43.621   13.832 -7.536720 19.52579 
1 1 1  -28    5   74 o  210.982   5.1057  307.441   14.593  306.514   20.876  308.326   20.408  210.619   7.3142  211.345   7.1257 -0.7257080 10.21141 
1 1 1  -28    5   75 o  144.640   6.2007  146.261   11.807  146.748   15.046  145.480   19.048  145.478   7.6319  143.801   9.7749 1.676666 12.40137 
1 1 1  -28    5   76 o  121.845   6.5159  105.498   10.439  109.873   13.430   98.818   16.594  125.654   7.8872  118.037   10.374 7.617599 13.03184 
1 1 1  -28    5   77 o   94.289   6.9776   61.769   8.7635   56.706   11.230   69.656   14.015   89.699   9.2385   98.878   10.459 -9.179283 13.95524 
1 1 1  -28    5   78 o   95.195   8.2420   66.029   10.549   58.345   15.134   73.291   14.712   89.310   12.505  101.079   10.740 -11.76935 16.48391 
1 1 1  -28    5   79 o   41.224   10.297   10.097   8.2158  -2.2190   12.197   20.326   11.116   31.497   14.054   50.950   15.055 -19.45248 20.59484 
1 1 1  -28    5   80 o  218.444   9.7767  341.406   28.941   0.0000   0.0000  341.406   28.941  ?   ?   218.444   9.7767      ?      ? 
1 1 1  -28    5   81 o   29.359   12.961  -0.9399   10.101   0.0000   0.0000  -0.9399   10.101  ?   ?    29.359   12.961      ?      ? 
1 1 1  -28    5   82 o   89.306   11.799   58.970   14.280   0.0000   0.0000   58.970   14.280  ?   ?    89.306   11.799      ?      ? 
1 1 1  -28    6    1 f  193.372   4.3429  253.586   11.273  255.994   17.199  251.773   14.927  194.150   6.5371  192.595   5.7192 1.555420 8.685808 
1 1 1  -28    6    2 o  282.918   4.7592  545.026   18.185  523.794   26.516  563.877   24.986  277.670   7.0470  288.165   6.3984 -10.49539 9.518386 
1 1 1  -28    6    3 o  260.907   5.1323  464.371   16.299  466.763   19.239  458.289   30.675  262.263   5.4134  259.552   8.7211 2.710693 10.26465 
1 1 1  -28    6    4 o  388.050   6.4033  1022.48   33.673  1022.48   33.673   0.0000   0.0000  388.050   6.4033  ?   ?       ?      ? 
1 1 1  -28    6    5 o  438.420   6.8766  1305.54   40.855  1305.54   40.855   0.0000   0.0000  438.420   6.8766  ?   ?       ?      ? 
1 1 1  -28    6    6 f  277.057   5.2313  515.020   17.557  507.169   20.559  536.169   33.743  273.375   5.5496  280.739   8.8695 -7.364563 10.46262 
1 1 1  -28    6    7 f  330.794   5.6859  738.714   22.629  732.754   26.437  755.052   43.769  328.560   5.9376  333.027   9.6985 -4.466827 11.37172 
1 1 1  -28    6    8 o  498.240   7.3310  1664.17   43.114  1636.96   49.749  1746.26   86.412  490.831   7.4794  505.648   12.611 -14.81644 14.66201 
1 1 1  -28    6    9 o  301.956   7.2514  619.414   29.672  619.414   29.672   0.0000   0.0000  301.956   7.2514  ?   ?       ?      ? 
1 1 1  -28    6   10 o  519.383   7.7458  1833.26   54.518  1833.26   54.518   0.0000   0.0000  519.383   7.7458  ?   ?       ?      ? 
1 1 1  -28    6   11 o  191.384   4.8817  246.750   11.537  243.928   13.694  253.651   21.414  189.605   5.3295  193.163   8.1806 -3.557922 9.763490 
1 1 1  -28    6   12 f  467.648   7.0232  1465.21   38.860  1440.82   44.892  1538.12   77.620  460.548   7.1929  474.748   12.065 -14.19986 14.04645 
1 1 1  -28    6   13 o  216.927   5.0180  320.693   13.404  322.183   15.943  317.099   24.757  217.903   5.3992  215.952   8.4598 1.951477 10.03595 
1 1 1  -28    6   14 o  640.019   8.9492  2779.72   67.596  2761.53   78.187  2833.57  134.505  637.122   9.0558  642.916   15.438 -5.794617 17.89838 
1 1 1  -28    6   15 o  217.865   4.9767  315.268   13.392  305.574   15.829  339.679   25.119  212.206   5.5045  223.523   8.2927 -11.31731 9.953313 
1 1 1  -28    6   16 o  467.849   7.5304  1471.46   45.303  1430.03   55.505  1554.14   78.411  458.502   8.9332  477.197   12.125 -18.69470 15.06078 
1 1 1  -28    6   17 o  193.232   4.9475  251.201   11.865  247.692   14.128  259.600   21.858  191.056   5.4567  195.409   8.2544 -4.353180 9.894981 
1 1 1  -28    6   18 o  527.991   7.7111  1889.35   48.291  1877.99   56.005  1922.31   95.350  525.658   7.8621  530.325   13.268 -4.667236 15.42224 
1 1 1  -28    6   19 o  316.245   5.7105  683.693   21.901  688.551   25.807  671.190   41.404  318.496   5.9794  313.994   9.7307 4.502289 11.42099 
1 1 1  -28    6   20 o  503.545   7.4752  1724.32   44.835  1720.63   52.165  1734.76   87.713  503.186   7.6502  503.904   12.845 -0.7176208 14.95049 
1 1 1  -28    6   21 o  340.093   5.8898  780.462   24.128  773.467   28.201  799.568   46.607  337.541   6.1652  342.646   10.037 -5.104736 11.77959 
1 1 1  -28    6   22 o  279.664   5.8189  530.857   22.053  530.857   22.053   0.0000   0.0000  279.664   5.8189  ?   ?       ?      ? 
1 1 1  -28    6   23 o  442.664   7.5548  1365.11   42.997  1437.84   53.819  1236.77   71.492  459.774   8.6379  425.553   12.397 34.22134 15.10958 
1 1 1  -28    6   24 o  385.799   5.5692  1011.02   29.104  1036.60   41.923  987.222   40.435  390.500   7.9224  381.099   7.8296 9.400146 11.13847 
1 1 1  -28    6   25 o  263.375   4.7869  470.632   17.073  484.811   24.702  457.662   23.624  267.164   6.8231  259.586   6.7158 7.578339 9.573743 
1 1 1  -28    6   26 o  283.558   4.8846  545.335   18.753  567.224   27.218  525.551   25.876  288.962   6.9507  278.154   6.8648 10.80835 9.769217 
1 1 1  -28    6   27 o  190.628   4.6195  246.200   11.914  256.732   17.471  237.045   16.288  194.423   6.6311  186.833   6.4333 7.590195 9.239036 
1 1 1  -28    6   28 o  425.506   5.9152  1231.47   34.104  1232.21   48.628  1230.76   47.841  425.619   8.4310  425.393   8.2991 0.2251892 11.83034 
1 1 1  -28    6   29 o  236.770   4.7399  380.736   15.195  382.176   21.973  379.416   21.036  237.187   6.8362  236.352   6.5677 0.8343353 9.479894 
1 1 1  -28    6   30 o  213.078   4.7000  307.342   13.548  328.475   19.864  288.961   18.525  219.902   6.6657  206.255   6.6279 13.64740 9.400031 
1 1 1  -28    6   31 o  217.854   4.7183  322.213   13.919  327.038   20.131  317.793   19.267  219.407   6.7708  216.300   6.5730 3.107071 9.436545 
1 1 1  -28    6   32 o  172.886   5.5320  203.616   12.628  204.902   16.162  201.601   20.233  173.659   6.8676  172.113   8.6747 1.545898 11.06409 
1 1 1  -28    6   33 o  251.468   6.8222  423.693   23.007  480.972   35.828  383.498   30.013  265.647   9.9526  237.290   9.3335 28.35661 13.64435 
1 1 1  -28    6   34 o  210.320   6.5675  297.585   18.583  332.576   28.452  271.557   24.539  220.943   9.5027  199.697   9.0680 21.24612 13.13508 
1 1 1  -28    6   35 o  354.652   5.4589  855.500   26.231  847.768   37.353  863.023   36.844  353.056   7.8072  356.248   7.6319 -3.192078 10.91781 
1 1 1  -28    6   36 o  195.097   4.8157  258.520   12.716  261.298   18.496  256.030   17.510  196.077   6.9609  194.116   6.6565 1.961365 9.631362 
1 1 1  -28    6   37 o  317.789   5.2096  686.354   22.427  698.254   32.233  675.186   31.225  320.450   7.4226  315.129   7.3118 5.321167 10.41912 
1 1 1  -28    6   38 o  494.876   6.5672  1668.26   44.031  1693.57   63.101  1644.23   61.471  498.518   9.3405  491.234   9.2342 7.284576 13.13450 
1 1 1  -28    6   39 o  275.891   6.3035  508.588   22.007  491.682   26.509  546.067   39.470  268.902   7.2748  282.880   10.296 -13.97836 12.60706 
1 1 1  -28    6   40 o  454.322   7.8087  1440.69   45.666  1516.82   57.236  1307.32   75.752  471.844   8.9513  436.800   12.798 35.04306 15.61742 
1 1 1  -28    6   41 o  281.384   5.0662  538.411   19.310  538.550   27.722  538.280   26.912  281.404   7.2697  281.364   7.0582 0.4049683E-01 10.13248 
1 1 1  -28    6   42 o  424.051   7.3463  1217.01   39.455  1258.42   70.021  1197.74   47.758  428.725   12.052  419.376   8.4034 9.349030 14.69266 
1 1 1  -28    6   43 o  127.213   6.5618  108.420   10.440  115.353   19.093  105.463   12.469  129.917   10.845  124.509   7.3903 5.407555 13.12351 
1 1 1  -28    6   44 o  327.231   6.5690  714.919   26.930  770.437   49.241  691.228   32.167  335.727   10.823  318.735   7.4472 16.99179 13.13796 
1 1 1  -28    6   45 o  195.840   4.9544  261.274   13.124  252.137   18.939  269.714   18.203  192.514   7.2595  199.166   6.7442 -6.652145 9.908849 
1 1 1  -28    6   46 o  250.422   5.0196  426.008   17.016  438.899   24.762  414.472   23.423  253.993   7.1941  246.850   7.0022 7.142654 10.03918 
1 1 1  -28    6   47 o  167.515   5.1918  191.464   11.749  182.992   17.065  199.099   16.200  163.949   7.6809  171.082   6.9874 -7.133057 10.38370 
1 1 1  -28    6   48 o  352.080   5.5869  843.766   26.643  858.799   38.403  829.816   36.994  355.083   7.9809  349.076   7.8204 6.006897 11.17376 
1 1 1  -28    6   49 o  252.160   6.2527  435.769   19.911  427.847   35.080  439.534   24.183  250.155   10.348  254.165   7.0213 -4.010178 12.50548 
1 1 1  -28    6   50 o  320.190   6.6127  698.241   26.753  704.614   47.410  695.264   32.405  320.826   10.905  319.555   7.4832 1.270813 13.22546 
1 1 1  -28    6   51 o  342.612   5.4955  798.701   25.496  823.346   36.942  776.286   35.231  347.636   7.8417  337.588   7.7012 10.04825 10.99097 
1 1 1  -28    6   52 o  169.078   5.1741  193.825   11.830  209.614   17.399  180.251   16.132  175.454   7.3178  162.702   7.3167 12.75252 10.34810 
1 1 1  -28    6   53 o  300.191   5.2886  613.976   21.508  608.030   30.698  619.709   30.143  298.741   7.5829  301.641   7.3741 -2.900177 10.57720 
1 1 1  -28    6   54 o  342.881   5.5342  801.188   25.706  811.592   36.914  791.391   35.820  345.024   7.8951  340.739   7.7574 4.284729 11.06840 
1 1 1  -28    6   55 o  265.120   6.4650  469.651   21.710  451.225   26.146  510.560   38.959  257.308   7.4985  272.931   10.534 -15.62335 12.92992 
1 1 1  -28    6   56 o  303.558   5.4021  628.091   22.215  606.920   31.103  650.139   31.741  298.325   7.6936  308.792   7.5853 -10.46719 10.80410 
1 1 1  -28    6   57 f  279.107   6.2374  528.752   22.640  519.233   28.178  546.090   38.029  275.923   7.5360  282.291   9.9412 -6.367767 12.47471 
1 1 1  -28    6   58 o  200.374   5.2038  274.265   14.103  255.908   20.013  292.373   19.876  193.655   7.6261  207.094   7.0825 -13.43840 10.40769 
1 1 1  -28    6   59 o  258.120   5.1902  452.594   18.115  489.174   26.674  421.284   24.678  267.754   7.3514  248.485   7.3287 19.26846 10.38044 
1 1 1  -28    6   60 o  233.416   5.1440  371.359   16.258  385.087   23.570  358.898   22.456  237.514   7.3230  229.318   7.2261 8.196167 10.28804 
1 1 1  -28    6   61 o  184.990   5.1792  234.379   12.945  217.284   18.506  250.758   18.115  178.298   7.6593  191.682   6.9737 -13.38438 10.35846 
1 1 1  -28    6   62 o  233.048   5.0915  370.869   16.064  375.039   23.295  367.088   22.180  234.259   7.3381  231.836   7.0600 2.422745 10.18290 
1 1 1  -28    6   63 o  152.607   6.7963  158.586   12.665  164.323   23.951  156.359   14.922  153.993   11.477  151.220   7.2819 2.772476 13.59255 
1 1 1  -28    6   64 o  189.184   7.0742  244.757   18.136   0.0000   0.0000  244.757   18.136  ?   ?   189.184   7.0742      ?      ? 
1 1 1  -28    6   65 o  120.064   7.3436  105.317   11.019   83.496   18.490  117.336   13.722  109.316   12.481  130.812   7.7411 -21.49643 14.68713 
1 1 1  -28    6   66 o  202.822   5.1664  281.887   14.192  283.746   20.454  280.160   19.707  203.431   7.4195  202.214   7.1915 1.217667 10.33281 
1 1 1  -28    6   67 o   99.019   6.4408   67.741   8.6341   67.305   12.464   68.143   11.972   98.668   9.3219   99.370   8.8903 -0.7019806 12.88159 
1 1 1  -28    6   68 o  207.027   5.1215  294.496   14.356  282.503   20.400  306.263   20.206  202.779   7.4236  211.275   7.0576 -8.495331 10.24301 
1 1 1  -28    6   69 o  146.904   5.4496  148.712   10.841  143.517   15.420  153.791   15.244  144.310   7.8849  149.499   7.5247 -5.188324 10.89921 
1 1 1  -28    6   70 o   79.360   9.6394   47.248   9.2083   49.889   11.159   41.612   16.303   84.621   9.7309   74.099   16.643 10.52228 19.27871 
1 1 1  -28    6   71 o   91.669   6.4503   58.428   8.0097   60.585   11.494   56.391   11.168   93.322   9.0889   90.016   9.1551 3.305443 12.90053 
1 1 1  -28    6   72 o   86.385   6.6564   52.121   7.7911   52.854   11.136   51.418   10.904   86.970   9.4489   85.800   9.3781 1.170372 13.31279 
1 1 1  -28    6   73 f   37.225   9.6318   8.5247   6.3596   10.016   9.1192   7.1126   8.8734   38.959   13.802   35.491   13.439 3.467945 19.26356 
1 1 1  -28    6   74 o   70.808   9.1917   40.767   8.1044   53.226   10.542   22.761   12.673   87.216   8.9194   54.400   16.075 32.81581 18.38335 
1 1 1  -28    6   75 o   84.941   7.4601   49.789   8.4099   44.215   10.662   58.965   13.682   79.058   9.9521   90.824   11.116 -11.76591 14.92014 
1 1 1  -28    6   76 o   71.443   8.7153   37.812   8.0295   38.733   10.383   36.440   12.666   73.718   10.393   69.168   13.993 4.549561 17.43060 
1 1 1  -28    6   77 o   73.368   9.8175   39.531   9.4744   49.702   14.804   32.476   12.330   81.952   13.330   64.784   14.417 17.16862 19.63492 
1 1 1  -28    6   78 o  114.680   7.6531   93.555   11.787  112.830   17.797   78.497   15.731  125.269   10.484  104.092   11.152 21.17651 15.30620 
1 1 1  -28    6   79 o   76.014   12.563   42.815   12.941   0.0000   0.0000   42.815   12.941  ?   ?    76.014   12.563      ?      ? 
1 1 1  -28    6   80 o  119.816   10.049  103.441   16.316   0.0000   0.0000  103.441   16.316  ?   ?   119.816   10.049      ?      ? 
1 1 1  -28    6   81 o  117.949   10.200  100.749   16.303   0.0000   0.0000  100.749   16.303  ?   ?   117.949   10.200      ?      ? 
1 1 1  -28    7    1 o  521.859   8.0452  1818.12   53.703  1739.29   65.227  1983.98   94.618  505.289   9.5259  538.430   12.968 -33.14084 16.09049 
1 1 1  -28    7    2 f  134.924   4.7058  128.843   7.8929  138.043   9.6349  110.070   13.763  142.631   4.9848  127.217   7.9831 15.41360 9.411635 
1 1 1  -28    7    3 o  229.867   4.7672  345.287   13.426  328.324   15.721  391.002   25.809  219.950   5.2744  239.783   7.9426 -19.83267 9.534360 
1 1 1  -28    7    4 o  329.832   5.6439  739.799   22.537  739.773   26.481  739.864   42.924  330.092   5.9199  329.571   9.6110 0.5217285 11.28790 
1 1 1  -28    7    5 o   98.756   5.0518   67.280   6.3457   69.319   7.8021   63.294   10.907  101.053   5.6975   96.460   8.3440 4.592873 10.10363 
1 1 1  -28    7    6 o  319.681   5.8695  693.796   25.428  693.796   25.428   0.0000   0.0000  319.681   5.8695  ?   ?       ?      ? 
1 1 1  -28    7    7 o  109.892   4.9708   83.505   6.9243   86.366   8.4958   77.845   11.950  112.802   5.5578  106.982   8.2429 5.819893 9.941577 
1 1 1  -28    7    8 o  301.334   5.4434  614.636   19.903  611.368   23.388  623.217   37.901  300.107   5.7509  302.561   9.2440 -2.454193 10.88687 
1 1 1  -28    7    9 o  320.985   5.6129  698.248   21.810  695.449   25.600  705.659   41.655  320.065   5.9022  321.905   9.5489 -1.840088 11.22575 
1 1 1  -28    7   10 o  271.065   5.2693  501.951   17.471  505.417   20.698  493.363   32.580  272.881   5.5973  269.250   8.9293 3.631805 10.53863 
1 1 1  -28    7   11 o  209.183   4.9058  296.299   12.679  294.914   15.080  299.638   23.416  208.464   5.3383  209.902   8.2322 -1.437057 9.811549 
1 1 1  -28    7   12 f  406.668   6.4365  1121.67   31.408  1117.11   36.674  1134.21   60.833  405.548   6.6731  407.788   11.008 -2.240448 12.87298 
1 1 1  -28    7   13 o  242.283   5.1330  399.079   15.259  399.342   18.086  398.428   28.423  242.570   5.5019  241.996   8.6672 0.5738220 10.26606 
1 1 1  -28    7   14 o  428.206   8.5786  1247.39   49.779  1247.39   49.779   0.0000   0.0000  428.206   8.5786  ?   ?       ?      ? 
1 1 1  -28    7   15 o  230.301   5.5462  359.975   17.309  359.975   17.309   0.0000   0.0000  230.301   5.5462  ?   ?       ?      ? 
1 1 1  -28    7   16 o  401.981   6.8573  1086.08   35.649  1053.72   43.944  1148.38   60.969  393.623   8.2383  410.338   10.964 -16.71509 13.71455 
1 1 1  -28    7   17 o  206.592   5.4502  291.577   14.970  297.974   19.496  282.385   23.368  209.436   6.8692  203.747   8.4636 5.688217 10.90037 
1 1 1  -28    7   18 o  272.968   5.3720  508.257   17.937  510.649   21.240  502.307   33.494  274.280   5.7145  271.656   9.0984 2.623871 10.74410 
1 1 1  -28    7   19 f  330.343   5.7986  742.336   23.206  742.556   27.280  741.757   44.141  330.707   6.0872  329.979   9.8712 0.7281494 11.59723 
1 1 1  -28    7   20 o  305.439   5.6379  638.580   20.991  644.140   24.825  624.636   39.316  308.025   5.9472  302.852   9.5798 5.173431 11.27572 
1 1 1  -28    7   21 f  113.735   5.4424   89.642   7.9392   93.587   9.8822   82.460   13.333  117.398   6.2117  110.072   8.9384 7.326988 10.88489 
1 1 1  -28    7   22 o  323.231   6.1052  709.403   26.742  709.403   26.742   0.0000   0.0000  323.231   6.1052  ?   ?       ?      ? 
1 1 1  -28    7   23 o  104.351   6.6664   73.967   9.4269   73.967   9.4269   0.0000   0.0000  104.351   6.6664  ?   ?       ?      ? 
1 1 1  -28    7   24 o  336.531   5.9135  775.260   24.201  781.471   28.575  759.498   45.519  339.233   6.2158  333.830   10.062 5.402649 11.82704 
1 1 1  -28    7   25 o  235.006   4.6943  375.155   14.943  375.522   21.458  374.809   20.822  235.109   6.7351  234.903   6.5410 0.2055054 9.388616 
1 1 1  -28    7   26 o  134.338   5.5557  122.511   9.9512  121.556   12.940  123.894   15.568  133.740   7.1397  134.935   8.5140 -1.195099 11.11146 
1 1 1  -28    7   27 o  519.149   8.1586  1851.74   54.788  1878.97   68.295  1802.58   91.766  525.165   9.5965  513.133   13.197 12.03186 16.31717 
1 1 1  -28    7   28 o  166.040   5.4481  187.020   12.038  185.126   15.578  189.828   18.968  165.053   6.9646  167.027   8.3800 -1.973938 10.89629 
1 1 1  -28    7   29 o   33.443   9.6109   2.8533   6.9279  -2.3028   11.134   6.1103   8.8496   31.505   13.767   35.380   13.415 -3.874928 19.22186 
1 1 1  -28    7   30 o  525.264   6.8026  1880.00   48.413  1888.62   69.177  1871.73   67.776  526.419   9.6972  524.109   9.5428 2.310120 13.60511 
1 1 1  -28    7   31 o  181.987   4.7698  225.301   11.743  220.129   16.999  230.022   16.241  179.969   6.9703  184.004   6.5131 -4.035004 9.539674 
1 1 1  -28    7   32 o  361.301   5.4813  887.946   26.828  885.684   38.415  890.100   37.483  360.833   7.8562  361.769   7.6457 -0.9360657 10.96251 
1 1 1  -28    7   33 o  350.328   6.6386  818.068   29.169  884.514   53.271  789.617   34.859  359.912   10.922  340.744   7.5492 19.16827 13.27723 
1 1 1  -28    7   34 o  445.377   6.1348  1350.84   37.023  1338.73   52.531  1362.79   52.188  443.377   8.7430  447.378   8.6082 -4.000549 12.26952 
1 1 1  -28    7   35 o  613.280   7.6413  2567.19   63.483  2616.36   91.247  2521.05   88.379  618.937   10.879  607.623   10.733 11.31427 15.28257 
1 1 1  -28    7   36 o  316.147   5.2350  679.703   22.417  681.988   32.233  677.562   31.197  316.645   7.5118  315.650   7.2934 0.9943237 10.47000 
1 1 1  -28    7   37 o  587.594   7.4022  2354.40   58.897  2433.44   85.337  2282.49   81.390  596.966   10.549  578.222   10.387 18.74390 14.80437 
1 1 1  -28    7   38 o  383.441   5.7038  998.864   29.599  1038.48   43.225  963.883   40.616  390.564   8.1669  376.318   7.9646 14.24588 11.40756 
1 1 1  -28    7   39 o  433.035   8.6733  1284.02   50.886  1261.42   71.077  1307.78   72.885  429.145   12.222  436.925   12.310 -7.780518 17.34666 
1 1 1  -28    7   40 f  171.865   6.2928  210.499   13.333  178.125   23.508  225.851   16.188  161.448   10.745  182.282   6.5535 -20.83389 12.58562 
1 1 1  -28    7   41 o  328.210   5.3359  733.314   23.722  721.331   33.880  744.839   33.226  325.554   7.6795  330.867   7.4104 -5.312897 10.67190 
1 1 1  -28    7   42 o  239.905   4.9401  391.161   16.048  398.214   23.236  384.728   22.191  241.958   7.0865  237.852   6.8849 4.106705 9.880251 
1 1 1  -28    7   43 o  264.079   5.0460  474.776   18.044  457.509   25.670  491.641   25.369  259.305   7.3051  268.854   6.9632 -9.550049 10.09208 
1 1 1  -28    7   44 o  294.595   5.2200  589.051   20.806  618.476   30.492  563.413   28.462  301.447   7.4643  287.744   7.2993 13.70346 10.44008 
1 1 1  -28    7   45 o  306.467   5.3153  638.824   22.054  650.779   32.008  628.020   30.429  309.170   7.6397  303.763   7.3923 5.407776 10.63066 
1 1 1  -28    7   46 o  162.320   5.1783  178.665   11.339  186.028   16.997  172.759   15.220  165.296   7.5879  159.345   7.0487 5.951431 10.35664 
1 1 1  -28    7   47 o  184.394   5.0315  231.017   12.547  236.944   18.429  225.896   17.131  186.576   7.2890  182.212   6.9379 4.362930 10.06300 
1 1 1  -28    7   48 o  272.390   5.1387  505.692   18.945  485.278   27.077  525.267   26.516  266.960   7.4848  277.820   7.0430 -10.86023 10.27739 
1 1 1  -28    7   49 o  281.818   6.4158  550.094   22.874  519.484   39.743  565.257   27.971  275.474   10.646  288.161   7.1630 -12.68640 12.83157 
1 1 1  -28    7   50 o   98.670   6.3960   67.617   8.3989   55.360   12.223   78.580   11.560   89.966   10.026  107.373   7.9450 -17.40701 12.79208 
1 1 1  -28    7   51 o  188.447   5.0123  241.722   12.777  243.049   18.658  240.551   17.534  188.908   7.2884  187.987   6.8827 0.9210510 10.02458 
1 1 1  -28    7   52 o  347.967   5.5556  825.518   26.186  826.198   37.585  824.878   36.504  348.075   7.9681  347.859   7.7438 0.2164917 11.11110 
1 1 1  -28    7   53 o  140.897   5.5467  136.006   10.532  128.030   15.442  142.942   14.401  136.960   8.3203  144.834   7.3372 -7.873734 11.09331 
1 1 1  -28    7   54 o  255.973   7.3851  446.642   25.617  446.642   25.617   0.0000   0.0000  255.973   7.3851  ?   ?       ?      ? 
1 1 1  -28    7   55 o  169.351   7.5300  195.611   17.281  195.611   17.281   0.0000   0.0000  169.351   7.5300  ?   ?       ?      ? 
1 1 1  -28    7   56 o  362.117   5.6866  895.625   27.899  893.456   39.857  897.709   39.065  361.655   8.1326  362.580   7.9506 -0.9248047 11.37323 
1 1 1  -28    7   57 o  197.526   5.1616  266.344   13.792  263.855   20.056  268.577   18.997  196.607   7.5278  198.445   7.0641 -1.838730 10.32322 
1 1 1  -28    7   58 o  119.039   5.9904   96.788   9.6378   99.493   14.233   94.497   13.098  120.538   8.7132  117.541   8.2230 2.997330 11.98072 
1 1 1  -28    7   59 o  131.780   5.6168  118.405   9.9967  123.127   14.868  114.509   13.505  134.133   8.1798  129.427   7.6997 4.706055 11.23365 
1 1 1  -28    7   60 o  226.289   5.1205  350.446   15.675  332.247   22.388  367.947   21.955  220.449   7.4942  232.128   6.9795 -11.67902 10.24095 
1 1 1  -28    7   61 f  180.785   6.5583  223.294   14.581  228.157   27.164  221.326   17.281  181.611   11.038  179.959   7.0862 1.651382 13.11656 
1 1 1  -28    7   62 o   94.984   8.6163   61.565   9.8908   65.596   19.117   60.092   11.558   96.508   14.618   93.459   9.1259 3.048897 17.23253 
1 1 1  -28    7   63 o  212.337   5.2152  309.802   14.955  286.020   21.421  332.414   20.888  204.246   7.7392  220.427   6.9927 -16.18076 10.43039 
1 1 1  -28    7   64 o  211.897   6.3153  313.596   16.991  296.990   29.302  322.010   20.856  206.958   10.448  216.836   7.0977 -9.877441 12.63067 
1 1 1  -28    7   65 f   86.651   7.0737   52.635   8.2042   46.584   12.097   57.789   11.164   81.802   10.912   91.501   9.0038 -9.699059 14.14735 
1 1 1  -28    7   66 o   66.763   8.3643   31.504   7.3251   39.352   10.838   24.905   9.9384   75.156   10.642   58.369   12.907 16.78680 16.72864 
1 1 1  -28    7   67 o   69.729   8.0437   34.338   7.3418   42.152   10.831   27.697   9.9860   77.776   10.277   61.681   12.377 16.09462 16.08741 
1 1 1  -28    7   68 o   66.986   8.2323   32.132   7.2904   30.309   10.489   33.835   10.140   64.470   12.457   69.501   10.766 -5.031044 16.46459 
1 1 1  -28    7   69 o  142.935   6.6748  139.197   12.197  133.185   14.819  151.823   21.475  138.849   7.8756  147.020   10.779 -8.170837 13.34968 
1 1 1  -28    7   70 o   54.098   8.8872   21.442   7.0209   9.0962   9.8882   33.993   9.9704   38.681   14.280   69.515   10.584 -30.83362 17.77447 
1 1 1  -28    7   71 o  125.251   5.4984  108.501   9.3235  112.344   13.555  105.050   12.844  127.324   7.8562  123.178   7.6948 4.146576 10.99682 
1 1 1  -28    7   72 o   66.796   9.0220   29.920   7.8384   17.112   9.8261   52.335   12.998   47.817   14.161   85.775   11.183 -37.95766 18.04391 
1 1 1  -28    7   73 o  132.067   6.3877  123.982   10.994  129.051   13.959  115.702   17.841  136.344   7.5550  127.790   10.302 8.553642 12.77548 
1 1 1  -28    7   74 o  109.305   7.0782   89.148   9.8516  104.307   12.766   66.827   15.491  122.402   7.6963   96.208   11.882 26.19391 14.15648 
1 1 1  -28    7   75 o   49.228   10.314   18.040   7.2438   15.496   9.2582   22.056   11.632   45.289   13.822   53.167   15.312 -7.877712 20.62799 
1 1 1  -28    7   76 o  130.042   6.2520  117.000   10.708  109.684   13.462  129.601   17.667  125.129   7.9388  134.956   9.6604 -9.827477 12.50393 
1 1 1  -28    7   77 o   38.406   10.621   8.4772   8.0841   5.7737   12.048   10.691   10.903   36.692   15.083   40.119   14.958 -3.427074 21.24209 
1 1 1  -28    7   78 o   42.899   15.118   13.528   10.928   0.0000   0.0000   13.528   10.928  ?   ?    42.899   15.118      ?      ? 
1 1 1  -28    7   79 o   56.482   14.887   25.560   11.555   0.0000   0.0000   25.560   11.555  ?   ?    56.482   14.887      ?      ? 
1 1 1  -28    7   80 o   63.573   14.322   32.090   12.042   0.0000   0.0000   32.090   12.042  ?   ?    63.573   14.322      ?      ? 
1 1 1  -28    8    1 o  309.978   5.3249  629.455   19.912  602.654   23.119  706.452   39.186  297.913   5.7267  322.044   8.9790 -24.13135 10.64976 
1 1 1  -28    8    2 o  242.431   5.4454  405.006   17.586  435.004   23.388  365.985   26.675  252.996   6.8219  231.867   8.4896 21.12898 10.89087 
1 1 1  -28    8    3 o  288.330   5.1894  549.138   18.187  529.940   21.248  601.741   35.171  279.381   5.6122  297.279   8.7305 -17.89825 10.37872 
1 1 1  -28    8    4 o  265.585   5.0885  477.692   16.615  475.208   19.692  483.828   30.952  264.574   5.4924  266.596   8.5676 -2.021973 10.17695 
1 1 1  -28    8    5 f  192.288   4.6341  247.308   11.173  241.174   13.378  261.457   20.318  188.501   5.2370  196.075   7.6467 -7.574097 9.268184 
1 1 1  -28    8    6 o  280.262   5.1685  517.246   17.624  497.250   20.588  572.095   34.098  270.634   5.6137  289.890   8.6798 -19.25613 10.33692 
1 1 1  -28    8    7 o   92.981   6.1493   58.718   7.7483   58.718   7.7483   0.0000   0.0000   92.981   6.1493  ?   ?       ?      ? 
1 1 1  -28    8    8 o   76.954   5.9745   42.838   5.8175   50.090   7.4572   31.562   9.2985   85.871   6.4083   68.036   10.085 17.83500 11.94902 
1 1 1  -28    8    9 o  125.420   4.6982  104.514   7.6146   99.428   9.3407  114.591   13.148  121.016   5.6958  129.823   7.4733 -8.806778 9.396374 
1 1 1  -28    8   10 o  272.385   5.2442  504.005   17.530  503.456   20.773  505.363   32.674  272.322   5.6291  272.448   8.8499 -0.1262512 10.48845 
1 1 1  -28    8   11 o  141.170   4.8665  137.647   8.6987  141.945   10.653  129.049   15.069  144.608   5.4362  137.732   8.0734 6.875214 9.733046 
1 1 1  -28    8   12 o  303.975   5.4173  600.360   19.838  569.845   22.975  689.748   39.323  289.700   5.8524  318.250   9.1180 -28.55063 10.83456 
1 1 1  -28    8   13 o  244.186   5.1777  413.296   15.624  425.499   18.756  385.627   28.242  250.362   5.5282  238.010   8.7562 12.35252 10.35532 
1 1 1  -28    8   14 o   99.033   5.5172   68.886   6.9442   73.741   8.6353   60.000   11.683  104.204   6.1152   93.861   9.1849 10.34287 11.03439 
1 1 1  -28    8   15 o  246.058   5.2518  420.794   15.977  435.067   19.210  388.768   28.776  253.155   5.5997  238.960   8.8865 14.19484 10.50362 
1 1 1  -28    8   16 o  292.034   5.9469  579.540   22.990  576.577   29.478  584.140   36.731  291.215   7.4697  292.853   9.2555 -1.637604 11.89373 
1 1 1  -28    8   17 o  142.242   6.5242  135.559   12.267  147.750   20.006  128.214   15.530  147.216   10.028  137.267   8.3485 9.948639 13.04836 
1 1 1  -28    8   18 o  275.088   5.6880  511.693   20.458  503.270   25.648  526.425   33.920  272.132   6.9550  278.044   9.0024 -5.912018 11.37603 
1 1 1  -28    8   19 o  116.094   6.9233   92.180   10.580   90.496   17.047   93.235   13.493  115.145   10.925  117.043   8.5073 -1.898346 13.84666 
1 1 1  -28    8   20 o   75.371   14.666   40.299   14.440   40.299   14.440   0.0000   0.0000   75.371   14.666  ?   ?       ?      ? 
1 1 1  -28    8   21 o  102.971   7.8450   72.118   10.947   72.118   10.947   0.0000   0.0000  102.971   7.8450  ?   ?       ?      ? 
1 1 1  -28    8   22 o  286.973   5.9791  559.253   23.252  559.253   23.252   0.0000   0.0000  286.973   5.9791  ?   ?       ?      ? 
1 1 1  -28    8   23 o  191.018   5.7084  247.741   14.777  247.741   14.777   0.0000   0.0000  191.018   5.7084  ?   ?       ?      ? 
1 1 1  -28    8   24 o  274.231   6.6735  510.350   24.731  539.891   36.679  485.724   33.489  281.448   9.6168  267.014   9.2552 14.43414 13.34697 
1 1 1  -28    8   25 o  287.192   5.9394  558.063   22.416  548.042   28.304  574.921   36.713  283.906   7.3569  290.478   9.3265 -6.572510 11.87887 
1 1 1  -28    8   26 o  249.051   5.2755  414.597   16.218  404.736   19.192  439.228   30.332  244.137   5.8009  253.965   8.8133 -9.827393 10.55105 
1 1 1  -28    8   27 o  310.047   5.7122  651.665   21.630  648.445   25.527  659.864   40.734  308.979   6.0965  311.114   9.6617 -2.135040 11.42437 
1 1 1  -28    8   28 o  175.454   4.7240  209.649   11.194  203.010   16.364  215.488   15.347  172.813   6.9876  178.095   6.3591 -5.281601 9.447964 
1 1 1  -28    8   29 o  245.365   4.7772  408.243   15.858  424.911   23.250  393.743   21.685  250.025   6.8621  240.704   6.6482 9.320999 9.554397 
1 1 1  -28    8   30 o   61.694   7.8762   28.482   6.1269   17.823   9.3403   36.533   8.1172   50.126   13.464   73.261   8.1762 -23.13504 15.75245 
1 1 1  -28    8   31 o  158.917   4.7528  171.257   10.204  176.469   15.125  166.903   13.823  161.115   6.9276  156.718   6.5089 4.397217 9.505697 
1 1 1  -28    8   32 o  195.168   5.8409  252.573   14.094  275.831   26.463  243.363   16.652  201.099   9.7107  189.238   6.4935 11.86095 11.68176 
1 1 1  -28    8   33 o  106.305   7.1700   76.241   9.0084   78.969   17.958   75.323   10.413  107.375   12.342  105.236   7.3021 2.139214 14.33999 
1 1 1  -28    8   34 o  323.659   6.3843  698.898   26.008  754.612   47.174  674.567   31.174  332.401   10.473  314.917   7.3048 17.48419 12.76852 
1 1 1  -28    8   35 o  228.624   5.8736  348.326   16.859  376.182   30.726  336.326   20.166  234.820   9.6558  222.427   6.6905 12.39227 11.74717 
1 1 1  -28    8   36 o  361.554   6.7300  878.132   30.684  928.876   55.200  855.441   36.913  368.573   11.052  354.535   7.6831 14.03699 13.46005 
1 1 1  -28    8   37 o  283.223   5.0621  545.087   19.409  557.347   28.200  534.051   26.755  286.228   7.2703  280.217   7.0457 6.011505 10.12417 
1 1 1  -28    8   38 o  466.834   7.8899  1492.71   46.993  1496.32   57.540  1485.49   81.432  468.441   9.0643  465.227   12.917 3.214142 15.77978 
1 1 1  -28    8   39 o  195.821   6.2821  265.492   15.643  273.735   19.236  249.401   26.877  200.600   7.0763  191.043   10.382 9.557190 12.56411 
1 1 1  -28    8   40 o  146.923   5.2789  147.338   10.463  141.870   15.376  152.053   14.279  144.342   7.8609  149.505   7.0478 -5.163422 10.55772 
1 1 1  -28    8   41 o  442.930   6.1955  1334.44   37.134  1397.22   54.333  1279.42   50.867  452.651   8.8577  433.208   8.6648 19.44333 12.39103 
1 1 1  -28    8   42 o  237.046   5.0170  381.871   16.085  389.496   23.587  375.242   21.992  239.230   7.2756  234.863   6.9099 4.367523 10.03400 
1 1 1  -28    8   43 f  101.611   6.0314   70.612   8.2343   68.596   12.385   72.208   11.024  100.263   9.1153  102.959   7.9009 -2.695961 12.06290 
1 1 1  -28    8   44 o  185.002   4.9837  231.961   12.460  245.287   18.477  220.848   16.873  189.839   7.1822  180.164   6.9111 9.675461 9.967302 
1 1 1  -28    8   45 o  185.457   5.0159  234.430   12.572  228.956   18.339  239.283   17.269  183.378   7.3799  187.537   6.7953 -4.159103 10.03186 
1 1 1  -28    8   46 o  222.861   4.9823  338.121   15.027  336.861   21.797  339.261   20.745  222.439   7.2311  223.284   6.8559 -0.8447876 9.964573 
1 1 1  -28    8   47 o  103.311   6.2010   73.789   8.5534   65.765   12.796   80.270   11.500   98.091   9.6265  108.530   7.8193 -10.43893 12.40201 
1 1 1  -28    8   48 o  311.618   6.5795  668.409   25.910  649.731   45.459  677.395   31.532  307.885   10.896  315.350   7.3787 -7.465729 13.15899 
1 1 1  -28    8   49 o  146.617   6.5591  146.059   11.963  149.110   21.867  144.756   14.290  147.455   10.943  145.779   7.2338 1.676147 13.11825 
1 1 1  -28    8   50 o  175.151   5.1138  209.378   12.114  201.036   17.453  217.132   16.828  171.742   7.4993  178.559   6.9545 -6.816727 10.22765 
1 1 1  -28    8   51 o  348.754   6.6976  842.765   30.429  873.130   38.501  792.233   49.667  357.735   7.9419  339.772   10.787 17.96262 13.39514 
1 1 1  -28    8   52 o  175.135   6.0011  210.412   13.851  213.371   17.712  205.754   22.221  176.901   7.3886  173.368   9.4584 3.532303 12.00221 
1 1 1  -28    8   53 f  125.033   5.7063  106.616   9.6437  108.744   14.215  104.801   13.126  126.158   8.3149  123.909   7.8173 2.248924 11.41264 
1 1 1  -28    8   54 o  137.682   6.7911  120.024   11.960  102.142   14.324  161.197   21.735  122.195   8.6502  153.170   10.471 -30.97457 13.58219 
1 1 1  -28    8   55 o  111.658   6.0025   85.350   9.0560   84.677   13.296   85.932   12.369  111.203   8.8228  112.112   8.1412 -0.9083557 12.00506 
1 1 1  -28    8   56 o  210.705   5.0838  303.648   14.486  284.482   20.646  322.233   20.330  204.082   7.4651  217.327   6.9030 -13.24536 10.16756 
1 1 1  -28    8   57 o  123.688   5.7289  105.388   9.5344   96.948   13.965  112.757   13.049  118.930   8.6649  128.446   7.4968 -9.515991 11.45785 
1 1 1  -28    8   58 o  126.389   5.7205  108.336   9.7480  120.909   14.703   98.475   13.021  132.855   8.1667  119.922   8.0125 12.93240 11.44096 
1 1 1  -28    8   59 o  268.665   6.4636  484.492   21.669  526.674   39.949  466.909   25.792  276.042   10.680  261.288   7.2843 14.75388 12.92726 
1 1 1  -28    8   60 o  269.572   6.5482  497.571   22.067  507.602   39.941  493.164   26.474  270.697   10.888  268.448   7.2775 2.248230 13.09630 
1 1 1  -28    8   61 o  290.934   5.3339  579.417   21.007  594.701   30.557  565.720   28.927  294.518   7.6563  287.351   7.4286 7.167084 10.66789 
1 1 1  -28    8   62 o   93.711   6.6235   60.866   8.3315   58.822   12.555   62.475   11.137   92.167   10.052   95.256   8.6275 -3.088730 13.24706 
1 1 1  -28    8   63 f   62.975   10.138   29.099   8.0050   28.894   14.271   29.193   9.6693   62.218   16.614   63.732   11.624 -1.514091 20.27647 
1 1 1  -28    8   64 o   84.659   7.0741   50.435   8.0012   43.920   11.798   55.983   10.887   79.318   10.976   90.000   8.9269 -10.68214 14.14826 
1 1 1  -28    8   65 o   35.449   9.6437   6.3383   6.5102   7.0560   9.6370   5.7359   8.8296   36.578   13.968   34.320   13.301 2.257591 19.28747 
1 1 1  -28    8   66 o  140.561   5.4004  136.346   10.270  131.536   14.770  140.849   14.290  138.077   7.8938  143.045   7.3720 -4.968048 10.80088 
1 1 1  -28    8   67 o   52.984   9.4940   21.086   6.8897   17.057   10.141   24.540   9.3897   48.162   14.414   57.806   12.361 -9.644009 18.98798 
1 1 1  -28    8   68 o  168.096   6.4902  196.421   13.952  195.358   17.108  198.533   24.109  168.195   7.5061  167.997   10.590 0.1977386 12.98050 
1 1 1  -28    8   69 o   97.656   6.5688   67.139   8.4446   48.311   11.677   87.784   12.227   82.810   10.405  112.502   8.0202 -29.69257 13.13757 
1 1 1  -28    8   70 o   85.803   7.6307   51.868   8.6254   50.846   10.947   53.541   14.007   85.123   9.4901   86.482   11.952 -1.358482 15.26135 
1 1 1  -28    8   71 o   67.278   9.2504   35.073   7.8880   39.754   10.015   27.426   12.801   75.062   9.8460   59.494   15.663 15.56847 18.50078 
1 1 1  -28    8   72 o   63.364   9.5247   31.569   7.8520   36.502   9.9982   23.631   12.684   71.675   10.294   55.052   16.029 16.62313 19.04946 
1 1 1  -28    8   73 o   53.919   9.8284   19.929   7.2573   12.443   9.0067   33.785   12.254   41.400   13.748   66.439   14.049 -25.03869 19.65682 
1 1 1  -28    8   74 o   97.679   6.9164   66.376   8.9117   61.504   11.216   74.719   14.678   93.350   8.8659  102.009   10.618 -8.658905 13.83279 
1 1 1  -28    8   75 o   46.122   10.159   16.179   6.9301   15.498   8.9321   17.210   10.984   45.024   13.540   47.220   15.150 -2.196060 20.31857 
1 1 1  -28    8   76 o   57.519   14.601   26.163   11.401   0.0000   0.0000   26.163   11.401  ?   ?    57.519   14.601      ?      ? 
1 1 1  -28    8   77 o   37.138   14.392   8.3002   10.338   0.0000   0.0000   8.3002   10.338  ?   ?    37.138   14.392      ?      ? 
1 1 1  -28    8   78 o   81.372   12.236   49.330   13.493   0.0000   0.0000   49.330   13.493  ?   ?    81.372   12.236      ?      ? 
1 1 1  -28    8   79 o   82.991   12.123   51.435   13.634   0.0000   0.0000   51.435   13.634  ?   ?    82.991   12.123      ?      ? 
1 1 1  -28    8   80 o   43.454   15.434   14.439   11.411   0.0000   0.0000   14.439   11.411  ?   ?    43.454   15.434      ?      ? 
1 1 1  -28    9    1 o  133.111   4.3187  120.283   7.4157  120.059   9.1727  120.705   12.600  132.987   5.0898  133.234   6.9784 -0.2470245 8.637423 
1 1 1  -28    9    2 o  165.662   4.3701  182.250   9.2312  174.540   11.177  198.793   16.372  160.345   5.1439  170.978   7.0663 -10.63318 8.740240 
1 1 1  -28    9    3 o  135.472   5.0614  124.808   9.2889  120.607   13.080  129.082   13.193  133.166   7.2483  137.779   7.0663 -4.612381 10.12278 
1 1 1  -28    9    4 o  273.168   5.0928  498.968   17.134  487.519   20.248  527.842   32.155  267.942   5.5764  278.393   8.5234 -10.45114 10.18551 
1 1 1  -28    9    5 o  231.133   4.9971  374.644   14.438  395.122   17.610  332.666   25.214  241.238   5.3869  221.028   8.4181 20.21033 9.994202 
1 1 1  -28    9    6 o  254.906   4.9447  424.237   15.556  401.292   18.290  484.244   29.579  243.101   5.5520  266.711   8.1838 -23.61005 9.889355 
1 1 1  -28    9    7 o  252.259   5.5250  432.082   18.887  432.082   18.887   0.0000   0.0000  252.259   5.5250  ?   ?       ?      ? 
1 1 1  -28    9    8 o  201.309   5.4005  275.139   14.733  275.139   14.733   0.0000   0.0000  201.309   5.4005  ?   ?       ?      ? 
1 1 1  -28    9    9 o  357.198   5.9903  883.906   26.204  905.263   31.218  832.964   48.215  365.020   6.3110  349.376   10.184 15.64413 11.98065 
1 1 1  -28    9   10 o  198.145   5.0067  276.186   12.486  294.457   15.370  240.728   21.412  208.254   5.4462  188.035   8.4029 20.21913 10.01349 
1 1 1  -28    9   11 o  540.091   7.8298  1991.73   50.590  1990.30   59.035  1995.69   98.158  540.782   8.0557  539.399   13.429 1.382690 15.65961 
1 1 1  -28    9   12 o  193.603   4.7713  244.419   11.701  227.416   14.008  283.671   21.284  183.005   5.6484  204.201   7.6914 -21.19583 9.542648 
1 1 1  -28    9   13 o  368.465   6.1181  937.566   27.537  955.321   32.703  894.306   51.047  374.961   6.4361  361.968   10.407 12.99298 12.23619 
1 1 1  -28    9   14 o  298.937   5.5389  613.522   20.417  621.522   24.364  594.652   37.419  302.503   5.9434  295.370   9.3484 7.133209 11.07777 
1 1 1  -28    9   15 o  373.993   6.1113  938.406   27.613  921.790   32.267  983.860   53.369  368.317   6.4648  379.668   10.373 -11.35107 12.22253 
1 1 1  -28    9   16 o  181.706   5.5176  225.987   13.482  238.126   18.291  211.546   19.951  187.136   7.2127  176.277   8.3518 10.85954 11.03520 
1 1 1  -28    9   17 o  523.740   8.2127  1881.21   55.949  1895.67   70.093  1855.82   92.878  527.206   9.8110  520.273   13.173 6.933105 16.42547 
1 1 1  -28    9   18 o  202.841   5.0841  283.635   13.028  290.840   15.897  268.901   22.734  206.954   5.6684  198.729   8.4416 8.224380 10.16814 
1 1 1  -28    9   19 o  382.797   6.6971  1005.54   33.504  1024.64   42.361  973.625   54.751  388.009   8.0565  377.586   10.700 10.42386 13.39416 
1 1 1  -28    9   20 o  206.007   6.2472  290.662   17.337  270.123   25.348  308.715   23.764  199.059   9.3966  212.954   8.2348 -13.89511 12.49436 
1 1 1  -28    9   21 o  246.038   5.1970  405.903   15.883  397.470   18.896  426.208   29.321  241.922   5.7637  250.154   8.6495 -8.232605 10.39394 
1 1 1  -28    9   22 o  244.477   5.7562  405.915   19.070  405.915   19.070   0.0000   0.0000  244.477   5.7562  ?   ?       ?      ? 
1 1 1  -28    9   23 o  237.332   5.7538  382.541   18.505  382.541   18.505   0.0000   0.0000  237.332   5.7538  ?   ?       ?      ? 
1 1 1  -28    9   24 o  274.425   5.4658  513.590   18.551  515.282   22.127  509.587   34.031  275.426   5.9284  273.424   9.1845 2.002411 10.93169 
1 1 1  -28    9   25 o  126.436   6.0598  109.324   10.340  116.109   14.301  101.892   14.967  130.600   8.0803  122.272   9.0328 8.327858 12.11952 
1 1 1  -28    9   26 o  154.682   11.561  163.685   24.233  163.685   24.233   0.0000   0.0000  154.682   11.561  ?   ?       ?      ? 
1 1 1  -28    9   27 o  137.142   7.6798  127.985   14.272  127.985   14.272   0.0000   0.0000  137.142   7.6798  ?   ?       ?      ? 
1 1 1  -28    9   28 o  133.824   5.8437  122.691   10.509  128.797   14.201  115.299   15.625  137.578   7.6169  130.071   8.8644 7.507050 11.68733 
1 1 1  -28    9   29 o  249.185   5.7968  426.077   19.131  439.191   24.790  406.767   30.081  254.105   7.1991  244.266   9.0876 9.839020 11.59358 
1 1 1  -28    9   30 o  243.723   5.4740  413.893   16.685  430.658   20.276  378.733   29.364  251.774   5.9429  235.672   9.1945 16.10236 10.94794 
1 1 1  -28    9   31 o  152.169   4.8952  157.809   10.041  153.906   14.884  161.068   13.603  150.407   7.3026  153.930   6.5210 -3.523117 9.790363 
1 1 1  -28    9   32 o  107.048   6.7406   73.666   8.9132   89.290   17.115   67.852   10.441  114.256   11.054   99.840   7.7169 14.41605 13.48128 
1 1 1  -28    9   33 o  106.101   5.8110   79.253   8.0697   59.319   11.898   96.233   10.982   93.243   9.4162  118.959   6.8121 -25.71616 11.62195 
1 1 1  -28    9   34 o  170.763   4.8648  197.605   11.227  207.695   16.638  189.170   15.212  174.737   7.0263  166.789   6.7303 7.947800 9.729662 
1 1 1  -28    9   35 o  362.401   5.5456  894.611   27.225  872.920   38.663  915.944   38.342  358.013   7.9691  366.789   7.7140 -8.775726 11.09113 
1 1 1  -28    9   36 o  330.804   5.3596  743.690   23.996  769.602   35.011  720.733   32.955  336.207   7.6844  325.400   7.4733 10.80701 10.71917 
1 1 1  -28    9   37 o  228.817   4.9446  356.207   15.300  356.129   22.370  356.275   20.972  228.764   7.2161  228.871   6.7620 -0.1071472 9.889246 
1 1 1  -28    9   38 o  280.827   6.3884  540.158   22.919  544.475   28.136  531.644   39.513  282.829   7.3409  278.825   10.457 4.003906 12.77677 
1 1 1  -28    9   39 o   65.973   8.4296   33.021   6.9943   19.019   10.600   43.819   9.3083   51.781   14.519   80.165   8.5684 -28.38407 16.85919 
1 1 1  -28    9   40 o  184.760   4.9191  231.908   12.291  237.793   18.062  226.833   16.773  186.920   7.1305  182.600   6.7785 4.319244 9.838277 
1 1 1  -28    9   41 o  104.142   6.0079   75.536   8.2959   62.886   12.356   85.918   11.194   95.950   9.5030  112.335   7.3534 -16.38420 12.01586 
1 1 1  -28    9   42 o  274.388   5.0810  511.424   18.862  531.521   27.650  493.931   25.796  279.397   7.3027  269.378   7.0666 10.01883 10.16199 
1 1 1  -28    9   43 o  220.766   4.9403  331.391   14.752  337.399   21.614  326.151   20.185  222.611   7.1648  218.920   6.8038 3.690231 9.880575 
1 1 1  -28    9   44 o  179.171   5.0401  217.672   12.192  228.738   18.203  208.669   16.418  183.258   7.3297  175.083   6.9198 8.174469 10.08010 
1 1 1  -28    9   45 o  200.137   5.0193  272.020   13.582  283.444   20.033  262.302   18.477  203.993   7.2467  196.280   6.9467 7.713409 10.03853 
1 1 1  -28    9   46 o  294.009   5.2390  589.283   20.855  582.513   30.025  595.596   28.990  292.338   7.5790  295.680   7.2351 -3.342407 10.47801 
1 1 1  -28    9   47 o   57.099   11.830   23.270   9.6278   21.862   15.437   24.166   12.317   56.237   17.951   57.961   15.414 -1.724419 23.66082 
1 1 1  -28    9   48 o  216.632   6.9236  321.677   20.236  318.366   29.971  324.451   27.433  215.493   10.263  217.771   9.2958 -2.278290 13.84713 
1 1 1  -28    9   49 o  217.991   5.8715  321.470   16.842  311.982   21.259  337.462   27.600  213.906   7.3339  222.077   9.1713 -8.171143 11.74299 
1 1 1  -28    9   50 o   70.105   8.1892   34.873   7.4647   30.690   11.167   38.252   10.037   65.523   13.035   74.686   9.9169 -9.162476 16.37832 
1 1 1  -28    9   51 f   71.283   7.9102   34.669   7.3913   42.865   11.406   28.735   9.7048   78.959   10.660   63.607   11.690 15.35222 15.82032 
1 1 1  -28    9   52 o  191.556   5.0370  250.790   13.049  241.463   18.833  259.400   18.096  188.075   7.3895  195.038   6.8469 -6.962936 10.07396 
1 1 1  -28    9   53 o  218.195   6.3454  328.023   17.677  331.454   21.709  321.272   30.455  220.330   7.2707  216.060   10.402 4.270477 12.69079 
1 1 1  -28    9   54 o  168.142   5.2180  193.535   11.865  185.445   17.101  201.043   16.475  164.693   7.6623  171.591   7.0851 -6.897949 10.43600 
1 1 1  -28    9   55 o  136.664   5.4904  129.178   10.047  109.226   14.461  147.794   13.969  126.229   8.4541  147.100   7.0076 -20.87122 10.98082 
1 1 1  -28    9   56 o  203.636   6.3658  288.671   16.143  275.211   28.912  294.769   19.459  199.560   10.691  207.713   6.9133 -8.152664 12.73157 
1 1 1  -28    9   57 o  190.573   6.4217  251.769   15.206  244.911   27.485  254.794   18.254  188.099   10.783  193.047   6.9776 -4.947968 12.84350 
1 1 1  -28    9   58 o   98.034   6.5519   66.991   8.5692   60.979   12.949   71.675   11.430   93.906   10.176  102.162   8.2559 -8.255692 13.10371 
1 1 1  -28    9   59 o  186.275   5.1910  238.456   13.037  230.345   19.237  245.347   17.730  183.217   7.7479  189.333   6.9105 -6.115891 10.38196 
1 1 1  -28    9   60 o   47.029   9.9239   15.815   6.7514   16.633   10.345   15.208   8.9107   48.106   14.595   45.951   13.451 2.154961 19.84780 
1 1 1  -28    9   61 o  167.531   5.1284  191.842   11.615  203.651   17.166  181.871   15.775  172.237   7.3548  162.825   7.1491 9.412201 10.25685 
1 1 1  -28    9   62 o   92.601   7.9096   61.659   9.1058   55.510   16.042   64.582   11.060   88.468   13.381   96.734   8.4373 -8.266350 15.81924 
1 1 1  -28    9   63 o  139.250   5.4000  132.485   10.149  146.592   15.182  121.088   13.646  145.886   7.6797  132.614   7.5935 13.27251 10.79996 
1 1 1  -28    9   64 o   64.390   8.7052   30.679   7.2911   24.903   11.017   35.179   9.7255   57.811   14.172   70.969   10.113 -13.15831 17.41035 
1 1 1  -28    9   65 o  101.011   6.0946   70.363   8.3089   75.622   12.452   66.142   11.156  104.340   8.8066   97.682   8.4275 6.658195 12.18929 
1 1 1  -28    9   66 o   56.760   9.2596   24.213   6.9940   20.645   10.266   27.304   9.5544   52.478   14.124   61.042   11.978 -8.564064 18.51917 
1 1 1  -28    9   67 o   82.213   9.5924   53.617   9.3064   60.953   11.418   39.100   16.062   93.433   9.0181   70.993   16.933 22.43943 19.18473 
1 1 1  -28    9   68 o  159.139   7.4545  175.435   16.076  175.435   16.076   0.0000   0.0000  159.139   7.4545  ?   ?       ?      ? 
1 1 1  -28    9   69 o   32.530   9.5964   2.7771   7.0784   5.4014   9.0421  -1.3763   11.375   33.746   13.346   31.315   13.793 2.430878 19.19277 
1 1 1  -28    9   70 o  122.090   6.4021   98.593   10.250   80.420   12.699  132.567   17.364  107.057   8.7536  137.123   9.3445 -30.06609 12.80414 
1 1 1  -28    9   71 o   43.534   10.428   13.272   7.2001   10.879   9.2011   17.051   11.564   39.590   13.878   47.477   15.569 -7.887440 20.85648 
1 1 1  -28    9   72 o   48.277   10.138   16.235   7.2636   9.7256   9.2520   26.693   11.727   38.176   13.856   58.379   14.803 -20.20287 20.27556 
1 1 1  -28    9   73 o   56.199   10.033   24.872   7.5512   25.896   9.6812   23.282   12.066   58.310   12.618   54.089   15.601 4.220455 20.06526 
1 1 1  -28    9   74 f   64.767   10.903   32.390   9.4236   43.075   14.710   24.952   12.273   73.808   15.213   55.726   15.622 18.08222 21.80567 
1 1 1  -28    9   75 o   59.008   14.893   27.823   11.910   0.0000   0.0000   27.823   11.910  ?   ?    59.008   14.893      ?      ? 
1 1 1  -28    9   76 o   50.264   15.079   20.266   11.089   0.0000   0.0000   20.266   11.089  ?   ?    50.264   15.079      ?      ? 
1 1 1  -28    9   77 o  124.092   10.206  111.866   17.163   0.0000   0.0000  111.866   17.163  ?   ?   124.092   10.206      ?      ? 
1 1 1  -28    9   78 o   74.750   13.467   43.629   13.140   0.0000   0.0000   43.629   13.140  ?   ?    74.750   13.467      ?      ? 
1 1 1  -28    9   79 o   54.898   15.501   24.969   12.038   0.0000   0.0000   24.969   12.038  ?   ?    54.898   15.501      ?      ? 
1 1 1  -28   10    1 o  201.429   4.6812  275.592   11.906  275.072   14.418  276.706   21.110  201.260   5.2864  201.598   7.7271 -0.3385315 9.362410 
1 1 1  -28   10    2 o  329.858   5.5987  730.930   22.488  718.450   26.412  763.824   42.880  325.160   5.9940  334.556   9.4581 -9.395630 11.19747 
1 1 1  -28   10    3 o  123.778   5.3402  104.783   8.9039   98.644   13.089  110.071   12.147  120.351   8.0258  127.205   7.0469 -6.854004 10.68045 
1 1 1  -28   10    4 o  128.044   4.5156  109.594   7.6103  104.096   9.5698  119.052   12.552  123.790   5.7047  132.298   7.0013 -8.508179 9.031176 
1 1 1  -28   10    5 o  343.734   5.9447  839.020   25.269  896.714   30.708  718.023   44.470  363.236   6.2385  324.232   10.121 39.00406 11.88934 
1 1 1  -28   10    6 o  235.506   4.9834  381.730   14.765  389.655   17.930  365.036   26.025  239.523   5.5239  231.489   8.2961 8.034439 9.966895 
1 1 1  -28   10    7 o  309.019   5.9395  648.794   24.872  648.794   24.872   0.0000   0.0000  309.019   5.9395  ?   ?       ?      ? 
1 1 1  -28   10    8 o  173.206   5.5672  203.759   13.067  203.759   13.067   0.0000   0.0000  173.206   5.5672  ?   ?       ?      ? 
1 1 1  -28   10    9 o  230.299   4.9122  352.521   14.293  338.926   17.172  383.173   25.785  223.378   5.6729  237.220   8.0211 -13.84200 9.824497 
1 1 1  -28   10   10 o  310.020   5.5277  644.859   21.170  631.784   25.088  677.192   39.453  304.927   6.0715  315.113   9.2391 -10.18527 11.05547 
1 1 1  -28   10   11 o  317.405   5.9581  672.934   24.707  638.572   30.722  735.853   41.572  306.354   7.4001  328.457   9.3398 -22.10315 11.91612 
1 1 1  -28   10   12 o  217.255   5.3563  323.085   15.496  331.995   20.283  310.592   24.016  220.969   6.7737  213.541   8.2994 7.427841 10.71268 
1 1 1  -28   10   13 o  308.967   6.0251  661.124   24.564  705.155   31.978  597.748   38.364  321.944   7.3297  295.990   9.5646 25.95419 12.05014 
1 1 1  -28   10   14 o  124.352   5.4862  105.299   9.2359  106.359   12.818  104.155   13.319  125.016   7.5662  123.687   7.9464 1.329475 10.97236 
1 1 1  -28   10   15 o  311.910   6.9299  664.910   29.240  645.517   42.239  682.754   40.517  307.458   10.138  316.362   9.4509 -8.904266 13.85985 
1 1 1  -28   10   16 o  230.698   6.8360  364.319   20.824  358.014   33.281  368.375   26.695  228.864   10.731  232.533   8.4717 -3.669296 13.67197 
1 1 1  -28   10   17 o  298.316   6.0044  616.339   23.656  658.751   30.865  555.958   36.828  311.170   7.3196  285.462   9.5201 25.70856 12.00872 
1 1 1  -28   10   18 o  321.296   6.1131  701.379   25.788  695.122   32.588  711.862   42.178  319.606   7.5243  322.986   9.6366 -3.379883 12.22613 
1 1 1  -28   10   19 o  233.533   5.5507  373.089   17.224  380.925   22.397  361.747   26.945  236.664   6.9835  230.403   8.6298 6.260941 11.10150 
1 1 1  -28   10   20 o  164.941   5.4746  186.918   12.105  200.669   16.368  170.318   17.983  171.766   7.0318  158.117   8.3929 13.64951 10.94928 
1 1 1  -28   10   21 o  319.287   6.1854  692.788   26.763  692.788   26.763   0.0000   0.0000  319.287   6.1854  ?   ?       ?      ? 
1 1 1  -28   10   22 o  241.217   5.8240  395.290   19.038  395.290   19.038   0.0000   0.0000  241.217   5.8240  ?   ?       ?      ? 
1 1 1  -28   10   23 o  374.829   6.1593  925.094   27.705  889.799   32.103  1028.11   54.844  361.777   6.5482  387.880   10.434 -26.10327 12.31852 
1 1 1  -28   10   24 o  131.521   5.1951  115.363   8.9382  109.233   11.130  126.497   15.001  126.760   6.4790  136.281   8.1227 -9.521103 10.39022 
1 1 1  -28   10   25 o  131.408   5.2856  115.670   9.0478  111.087   11.230  124.148   15.274  127.829   6.4829  134.987   8.3500 -7.158127 10.57125 
1 1 1  -28   10   26 o  336.500   5.8895  751.859   24.056  728.500   28.108  815.816   46.509  327.371   6.3358  345.629   9.9299 -18.25735 11.77905 
1 1 1  -28   10   27 o  218.447   5.1903  316.729   14.309  303.602   17.166  346.620   25.904  211.371   5.9930  225.523   8.4760 -14.15192 10.38062 
1 1 1  -28   10   28 o  163.661   5.3142  183.792   11.177  187.090   13.840  177.608   18.952  165.912   6.1556  161.409   8.6643 4.503189 10.62836 
1 1 1  -28   10   29 o  158.345   5.4099  174.648   10.995  184.125   13.741  157.778   18.334  164.589   6.1606  152.102   8.8947 12.48714 10.81981 
1 1 1  -28   10   30 o  130.770   5.5842  115.805   9.5616  113.930   12.013  119.046   15.793  129.418   6.8500  132.122   8.8210 -2.704239 11.16834 
1 1 1  -28   10   31 o  358.758   6.6611  881.379   31.392  890.161   39.893  867.099   50.870  361.448   8.1446  356.067   10.543 5.381653 13.32220 
1 1 1  -28   10   32 o  103.484   9.4819   73.117   13.297   73.117   13.297   0.0000   0.0000  103.484   9.4819  ?   ?       ?      ? 
1 1 1  -28   10   33 o  243.106   5.9681  401.680   19.661  401.680   19.661   0.0000   0.0000  243.106   5.9681  ?   ?       ?      ? 
1 1 1  -28   10   34 o  242.986   4.9160  401.180   16.157  410.672   23.693  392.930   22.090  245.644   7.1176  240.328   6.7828 5.315750 9.831907 
1 1 1  -28   10   35 o  113.030   5.5410   87.125   8.3978   86.443   12.813   87.638   11.119  112.596   8.3974  113.464   7.2314 -0.8674393 11.08196 
1 1 1  -28   10   36 o  124.533   5.3039  105.368   8.8942  107.783   13.417  103.475   11.879  125.771   7.8724  123.295   7.1098 2.475266 10.60771 
1 1 1  -28   10   37 o  184.840   6.1534  236.535   14.600  244.365   18.136  222.117   24.611  189.470   7.0636  180.210   10.078 9.260315 12.30677 
1 1 1  -28   10   38 o  292.793   5.1234  583.789   20.314  582.926   29.266  584.591   28.220  292.557   7.3819  293.030   7.1066 -0.4726868 10.24677 
1 1 1  -28   10   39 o  133.283   5.2572  120.436   9.4215  125.488   14.364  116.621   12.481  135.688   7.8119  130.879   7.0373 4.809036 10.51431 
1 1 1  -28   10   40 o  101.365   6.0923   71.583   8.1665   61.936   12.470   78.826   10.806   95.165   9.6699  107.565   7.4132 -12.40013 12.18450 
1 1 1  -28   10   41 o  224.638   4.9476  342.218   15.018  361.870   22.288  325.875   20.325  230.498   7.1355  218.778   6.8557 11.72009 9.895247 
1 1 1  -28   10   42 o  173.999   5.0466  205.611   11.866  214.305   17.584  198.342   16.078  177.342   7.3170  170.656   6.9523 6.685928 10.09325 
1 1 1  -28   10   43 o  235.656   5.9214  382.200   18.357  392.495   23.490  366.052   29.420  239.995   7.2227  231.318   9.3854 8.677536 11.84286 
1 1 1  -28   10   44 o  249.582   5.9460  425.259   19.534  424.618   24.831  426.300   31.641  249.572   7.3421  249.593   9.3549 -0.2043152E-01 11.89208 
1 1 1  -28   10   45 o  250.431   5.9660  430.541   19.631  437.061   24.993  420.041   31.718  253.184   7.2846  247.678   9.4502 5.505478 11.93194 
1 1 1  -28   10   46 o  110.318   7.3577   82.590   9.9631   85.879   18.704   81.287   11.772  111.533   12.375  109.104   7.9622 2.428314 14.71532 
1 1 1  -28   10   47 o  144.743   6.8530  153.668   12.065  119.069   21.125  170.418   14.698  131.373   11.866  158.112   6.8598 -26.73869 13.70602 
1 1 1  -28   10   48 o  239.561   5.0547  390.867   16.379  402.261   24.035  380.988   22.380  242.779   7.3054  236.344   6.9878 6.434357 10.10934 
1 1 1  -28   10   49 o  259.753   5.1112  461.116   17.967  447.297   25.840  474.052   25.000  255.920   7.4508  263.585   6.9989 -7.665115 10.22248 
1 1 1  -28   10   50 o   83.711   7.0901   48.711   7.9200   44.753   12.002   51.764   10.541   80.540   10.996   86.881   8.9533 -6.341499 14.18020 
1 1 1  -28   10   51 o  207.477   5.0157  293.549   14.075  301.066   20.661  287.040   19.226  209.912   7.2632  205.043   6.9192 4.868973 10.03140 
1 1 1  -28   10   52 o  134.851   6.8662  121.216   12.132  110.735   15.067  140.540   20.458  127.022   8.7533  142.680   10.581 -15.65800 13.73232 
1 1 1  -28   10   53 o  160.827   6.5559  181.526   13.071  168.768   23.427  187.293   15.751  156.122   11.073  165.531   7.0217 -9.408981 13.11176 
1 1 1  -28   10   54 o  129.039   7.5117  126.055   11.356   91.868   20.639  140.897   13.599  114.538   13.297  143.540   6.9914 -29.00172 15.02333 
1 1 1  -28   10   55 o  139.926   5.4210  133.492   10.232  141.734   15.378  126.945   13.706  143.731   7.8955  136.122   7.4303 7.608353 10.84202 
1 1 1  -28   10   56 o  210.392   5.0776  304.109   14.432  287.804   20.865  319.064   19.983  204.860   7.5160  215.924   6.8292 -11.06436 10.15523 
1 1 1  -28   10   57 o  112.404   5.8989   88.631   8.8064   72.660   12.917  102.501   12.037  102.548   9.2952  122.260   7.2655 -19.71241 11.79785 
1 1 1  -28   10   58 o  136.770   5.3931  129.110   9.9339  122.449   14.653  134.775   13.514  133.367   8.1076  140.173   7.1142 -6.806213 10.78629 
1 1 1  -28   10   59 o  146.250   5.3156  148.115   10.452  135.354   15.322  159.222   14.295  140.155   8.0672  152.346   6.9240 -12.19101 10.63119 
1 1 1  -28   10   60 o  105.450   6.0147   76.030   8.5430   84.727   12.981   69.385   11.346  110.675   8.6553  100.225   8.3541 10.44978 12.02933 
1 1 1  -28   10   61 o   41.608   10.169   5.7300   7.0758   23.504   13.349  -1.2152   8.3444   55.977   16.486   27.238   11.909 28.73849 20.33747 
1 1 1  -28   10   62 o   85.561   6.7708   51.456   7.7777   47.039   11.469   55.217   10.583   81.935   10.330   89.187   8.7562 -7.251732 13.54152 
1 1 1  -28   10   63 o   97.894   6.2159   66.878   8.1810   64.629   12.238   68.695   11.000   96.225   9.3851   99.564   8.1529 -3.338715 12.43181 
1 1 1  -28   10   64 o   42.883   9.7646   12.711   6.4704   16.879   9.8852   9.5868   8.5586   47.676   14.223   38.090   13.383 9.585533 19.52920 
1 1 1  -28   10   65 o  148.649   6.1171  149.774   11.989  136.554   15.039  172.823   19.858  140.251   7.9129  157.048   9.3306 -16.79677 12.23414 
1 1 1  -28   10   66 o   83.471   10.009   49.195   11.322   49.195   11.322   0.0000   0.0000   83.471   10.009  ?   ?       ?      ? 
1 1 1  -28   10   67 o  213.292   10.147  322.513   29.328   0.0000   0.0000  322.513   29.328  ?   ?   213.292   10.147      ?      ? 
1 1 1  -28   10   68 f   74.001   8.3724   38.805   8.1034   32.621   10.436   48.197   12.861   66.269   12.065   81.732   11.611 -15.46321 16.74483 
1 1 1  -28   10   69 o   32.574   9.5610   2.9923   6.9095   0.7620   9.1501   5.9513   10.540   29.551   12.696   35.596   14.299 -6.045284 19.12206 
1 1 1  -28   10   70 o   47.637   9.9972   17.853   7.3973   23.982   9.6990   9.3296   11.437   55.968   13.031   39.305   15.164 16.66336 19.99441 
1 1 1  -28   10   71 o   51.143   9.9614   20.987   7.4302   26.659   9.8558   13.519   11.309   59.100   12.685   43.186   15.362 15.91462 19.92282 
1 1 1  -28   10   72 f   46.323   11.429   15.581   8.7693   21.296   13.753   11.666   11.384   51.447   16.983   41.199   15.299 10.24858 22.85838 
1 1 1  -28   10   73 o   96.430   8.7640   70.104   11.239   61.992   16.837   76.625   15.095   90.328   13.755  102.533   10.864 -12.20492 17.52805 
1 1 1  -28   10   74 o   71.683   13.738   40.086   12.860   0.0000   0.0000   40.086   12.860  ?   ?    71.683   13.738      ?      ? 
1 1 1  -28   10   75 o   84.293   11.773   52.811   13.448   0.0000   0.0000   52.811   13.448  ?   ?    84.293   11.773      ?      ? 
1 1 1  -28   10   76 o   94.237   11.257   65.724   14.376   0.0000   0.0000   65.724   14.376  ?   ?    94.237   11.257      ?      ? 
1 1 1  -28   10   77 o   94.396   11.377   66.291   14.554   0.0000   0.0000   66.291   14.554  ?   ?    94.396   11.377      ?      ? 
1 1 1  -28   11    1 f  198.078   4.7321  271.581   11.763  279.799   14.292  254.326   20.709  202.963   5.1964  193.193   7.9101 9.769592 9.464293 
1 1 1  -28   11    2 o  112.613   4.8002   88.767   6.9728   95.563   8.8229   77.461   11.380  118.599   5.4897  106.626   7.8759 11.97362 9.600341 
1 1 1  -28   11    3 o   83.332   6.1461   46.330   6.8073   52.581   10.982   42.430   8.6748   87.761   9.2345   78.903   8.1130 8.858078 12.29213 
1 1 1  -28   11    4 o  175.745   4.5696  205.707   10.268  197.475   12.473  223.015   18.087  170.499   5.3986  180.990   7.3743 -10.49017 9.139220 
1 1 1  -28   11    5 o   95.859   4.9329   62.399   6.3235   61.755   8.2770   63.303   9.8001   95.297   6.4093   96.421   7.5002 -1.123581 9.865751 
1 1 1  -28   11    6 o  155.085   4.6752  163.315   9.4213  162.642   11.749  164.528   15.768  154.721   5.6037  155.450   7.4852 -0.7288971 9.350425 
1 1 1  -28   11    7 o  145.129   5.8014  143.127   11.410  143.127   11.410   0.0000   0.0000  145.129   5.8014  ?   ?       ?      ? 
1 1 1  -28   11    8 o  355.996   5.9882  875.547   26.178  892.053   31.200  836.297   48.112  362.215   6.3564  349.776   10.150 12.43887 11.97640 
1 1 1  -28   11    9 o  130.992   4.8945  116.117   8.5084  113.745   10.922  119.777   13.570  129.351   6.2309  132.634   7.5498 -3.282898 9.788942 
1 1 1  -28   11   10 o  331.220   6.1234  741.502   26.608  722.565   33.456  774.095   43.892  325.763   7.5787  336.677   9.6202 -10.91467 12.24683 
1 1 1  -28   11   11 o  303.996   6.7998  628.374   27.908  661.338   41.670  601.562   37.581  311.128   9.8833  296.864   9.3417 14.26337 13.59958 
1 1 1  -28   11   12 o  188.441   4.8733  237.976   11.883  229.899   14.643  253.553   20.335  183.932   5.8749  192.950   7.7771 -9.018677 9.746642 
1 1 1  -28   11   13 o  268.846   5.1823  463.765   17.201  427.714   20.144  560.824   33.053  250.873   5.9253  286.819   8.5039 -35.94626 10.36466 
1 1 1  -28   11   14 o  289.810   5.4876  577.907   19.828  587.450   23.879  556.711   35.586  294.001   5.9935  285.619   9.1941 8.381653 10.97513 
1 1 1  -28   11   15 o  245.414   5.8082  416.822   19.011  476.695   26.088  349.033   27.759  264.650   7.2743  226.178   9.0568 38.47141 11.61643 
1 1 1  -28   11   16 o  192.798   4.9789  252.636   12.328  252.031   15.174  253.810   21.144  192.587   5.8142  193.008   8.0842 -0.4211121 9.957835 
1 1 1  -28   11   17 o  323.733   5.6887  695.494   22.533  672.171   26.449  757.229   43.031  314.451   6.2068  333.015   9.5353 -18.56421 11.37749 
1 1 1  -28   11   18 o  306.456   5.8099  671.266   22.136  729.500   27.164  556.145   38.193  327.600   6.1188  285.311   9.8782 42.28918 11.61974 
1 1 1  -28   11   19 o  127.104   5.0563  106.789   8.5160   95.980   10.766  124.861   13.920  118.791   6.6877  135.416   7.5856 -16.62510 10.11266 
1 1 1  -28   11   20 o  366.145   6.1388  916.219   27.470  918.856   32.500  909.623   51.402  367.582   6.5246  364.708   10.401 2.873901 12.27765 
1 1 1  -28   11   21 o  144.541   6.1053  142.014   11.959  142.014   11.959   0.0000   0.0000  144.541   6.1053  ?   ?       ?      ? 
1 1 1  -28   11   22 o  167.717   4.9277  185.833   10.656  174.371   13.006  209.237   18.584  160.172   5.9919  175.263   7.8248 -15.09181 9.855439 
1 1 1  -28   11   23 o   86.297   6.2648   52.392   7.0818   59.528   9.3434   42.757   10.857   93.510   7.3733   79.084   10.130 14.42580 12.52954 
1 1 1  -28   11   24 o  179.707   5.2073  228.028   11.881  246.470   14.809  194.728   19.900  190.448   5.7382  168.966   8.6911 21.48241 10.41456 
1 1 1  -28   11   25 f   85.098   6.2583   49.654   7.0773   50.727   9.2084   48.106   11.062   86.288   7.8750   83.909   9.7288 2.379425 12.51655 
1 1 1  -28   11   26 o  105.680   5.6510   74.578   7.9128   69.325   10.036   83.207   12.864  100.908   7.3393  110.452   8.5947 -9.544052 11.30191 
1 1 1  -28   11   27 f  200.491   5.1441  273.875   13.096  274.270   15.955  273.059   22.929  200.881   5.8609  200.102   8.4557 0.7792358 10.28826 
1 1 1  -28   11   28 o  120.093   5.4949   98.530   8.6435   99.325   10.931   97.202   14.120  120.828   6.6757  119.358   8.7299 1.470421 10.98981 
1 1 1  -28   11   29 o  281.426   5.6008  548.439   19.560  562.134   23.528  517.787   35.200  287.548   6.0379  275.304   9.4350 12.24390 11.20159 
1 1 1  -28   11   30 o   78.349   7.6827   41.933   8.1414   45.715   11.845   38.546   11.209   81.701   10.698   74.997   11.029 6.703911 15.36543 
1 1 1  -28   11   31 o  310.017   5.8554  666.083   22.466  682.428   26.968  629.005   40.616  316.762   6.2824  303.271   9.8830 13.49149 11.71074 
1 1 1  -28   11   32 o  354.841   6.1423  849.580   26.524  837.299   31.164  881.864   50.527  350.798   6.5555  358.884   10.389 -8.086121 12.28461 
1 1 1  -28   11   33 o  445.229   6.9678  1330.59   37.120  1302.60   43.112  1410.84   72.990  437.312   7.2748  453.147   11.886 -15.83426 13.93567 
1 1 1  -28   11   34 o  233.807   5.3343  358.531   15.604  337.892   18.525  408.935   28.950  222.888   6.1333  244.726   8.7294 -21.83856 10.66863 
1 1 1  -28   11   35 o  298.579   5.7489  606.231   21.194  603.445   25.205  612.954   39.159  297.829   6.2451  299.330   9.6539 -1.501160 11.49783 
1 1 1  -28   11   36 o  108.559   7.4873   80.327   11.015   80.327   11.015   0.0000   0.0000  108.559   7.4873  ?   ?       ?      ? 
1 1 1  -28   11   37 o  167.327   6.8862  194.568   15.347  171.375   23.046  213.050   20.573  158.041   10.761  176.612   8.5958 -18.57098 13.77231 
1 1 1  -28   11   38 o   90.133   13.462   56.166   16.443   56.166   16.443   0.0000   0.0000   90.133   13.462  ?   ?       ?      ? 
1 1 1  -28   11   39 o  152.947   7.4923  159.533   15.529  159.533   15.529   0.0000   0.0000  152.947   7.4923  ?   ?       ?      ? 
1 1 1  -28   11   40 o   68.232   8.0806   31.473   7.0647   47.045   11.030   20.639   9.1995   82.849   9.8240   53.616   12.833 29.23266 16.16125 
1 1 1  -28   11   41 o   99.015   6.0568   68.010   7.9727   61.029   12.138   73.307   10.573   94.379   9.4909  103.651   7.5275 -9.272476 12.11361 
1 1 1  -28   11   42 o  150.770   5.1191  154.347   10.402  161.687   15.686  148.585   13.898  153.915   7.5205  147.625   6.9471 6.289673 10.23818 
1 1 1  -28   11   43 o  181.350   4.9487  223.237   12.109  235.318   18.160  213.567   16.247  185.709   7.2161  176.992   6.7740 8.717560 9.897429 
1 1 1  -28   11   44 o  109.369   5.8097   82.377   8.5159   77.515   12.808   86.230   11.401  106.369   8.8857  112.369   7.4869 -5.999573 11.61938 
1 1 1  -28   11   45 o  190.635   6.1558  247.541   14.596  252.663   26.676  245.352   17.438  191.620   10.273  189.649   6.7852 1.971802 12.31158 
1 1 1  -28   11   46 o  100.749   7.5806   70.913   9.2821   67.865   17.328   72.140   10.992   98.809   12.941  102.690   7.8990 -3.880745 15.16114 
1 1 1  -28   11   47 o   53.965   9.3529   21.700   6.8345   16.246   10.574   25.613   8.9569   48.027   14.791   59.903   11.451 -11.87606 18.70583 
1 1 1  -28   11   48 o  206.450   6.2537  293.091   15.937  291.521   29.310  293.750   18.990  205.490   10.526  207.409   6.7564 -1.918961 12.50744 
1 1 1  -28   11   49 o  162.478   6.5457  186.516   12.892  170.338   23.868  193.180   15.318  156.786   11.234  168.170   6.7217 -11.38345 13.09130 
1 1 1  -28   11   50 o   40.422   9.7136   10.503   7.3621 -11.2266   15.043   17.347   8.4422   31.892   14.753   48.952   12.639 -17.06001 19.42714 
1 1 1  -28   11   51 o  189.147   6.3476  244.716   15.452  241.224   19.020  251.496   26.502  187.635   7.4801  190.660   10.257 -3.024933 12.69517 
1 1 1  -28   11   52 o  174.857   5.1083  209.415   12.074  210.068   17.720  208.848   16.497  175.046   7.4702  174.669   6.9695 0.3769531 10.21651 
1 1 1  -28   11   53 o   46.232   8.8869   15.698   6.5909   2.6690   10.180   25.100   8.6480   33.332   13.799   59.132   11.202 -25.80066 17.77373 
1 1 1  -28   11   54 o  152.010   5.2154  159.778   10.656  145.852   15.640  171.841   14.557  145.632   7.9250  158.388   6.7820 -12.75603 10.43082 
1 1 1  -28   11   55 o  119.741   5.8084  101.905   9.0948   74.771   13.257  126.031   12.500  103.890   9.4165  135.593   6.8031 -31.70262 11.61687 
1 1 1  -28   11   56 o   43.108   9.8015   13.062   6.4304   12.516   10.193   13.423   8.2878   42.974   14.627   43.241   13.051 -0.2670403 19.60300 
1 1 1  -28   11   57 o   66.567   8.2840   32.150   7.1398   29.045   10.982   34.423   9.3966   62.830   13.312   70.304   9.8631 -7.473682 16.56799 
1 1 1  -28   11   58 o  141.419   5.3240  137.342   10.152  142.795   15.253  133.007   13.602  143.833   7.8257  139.005   7.2207 4.827225 10.64801 
1 1 1  -28   11   59 o  116.963   5.7262   95.099   9.0154   90.237   13.330   99.198   12.239  114.031   8.6264  119.895   7.5330 -5.864540 11.45249 
1 1 1  -28   11   60 o   30.245   9.0862   0.1898   6.8393 -14.2105   12.955   5.7536   8.0529   27.273   12.951   33.217   12.748 -5.944073 18.17241 
1 1 1  -28   11   61 o   59.238   8.8185   25.619   6.8168   29.247   10.378   22.866   9.0408   62.908   12.612   55.567   12.329 7.340828 17.63705 
1 1 1  -28   11   62 o  137.169   6.1976  129.629   11.337  122.190   14.614  140.872   17.967  132.571   8.1347  141.767   9.3524 -9.195450 12.39522 
1 1 1  -28   11   63 o   40.332   10.247   10.504   7.1455   8.1523   9.6475   13.362   10.635   37.187   14.029   43.477   14.938 -6.289577 20.49323 
1 1 1  -28   11   64 o  146.079   6.1153  148.086   11.854  142.978   15.181  156.064   18.973  143.315   7.8168  148.844   9.4065 -5.528534 12.23052 
1 1 1  -28   11   65 o   30.812   12.907   2.3409   9.0570   2.3409   9.0570   0.0000   0.0000   30.812   12.907  ?   ?       ?      ? 
1 1 1  -28   11   66 o   79.471   8.0835   45.874   8.4248   46.696   10.736   44.557   13.591   81.070   9.7729   77.873   12.879 3.196762 16.16706 
1 1 1  -28   11   67 o   46.763   10.056   16.936   7.2164   21.594   9.6451   11.013   10.877   52.956   13.423   40.570   14.977 12.38589 20.11132 
1 1 1  -28   11   68 o  134.031   6.1714  123.982   10.944  113.789   13.829  141.064   17.903  127.273   8.0181  140.789   9.3839 -13.51555 12.34289 
1 1 1  -28   11   69 o   48.591   11.585   18.312   8.9104   19.384   14.141   17.607   11.475   49.665   17.216   47.517   15.505 2.147511 23.16920 
1 1 1  -28   11   70 o   32.668   9.9633   0.9118   7.9800   5.3114   12.327  -2.2617   10.470   36.363   15.130   28.974   12.967 7.389034 19.92664 
1 1 1  -28   11   71 o   57.874   10.988   27.976   9.2118   18.143   13.753   35.976   12.406   48.025   16.956   67.722   13.981 -19.69743 21.97689 
1 1 1  -28   11   72 o   78.305   12.769   46.201   13.550   0.0000   0.0000   46.201   13.550  ?   ?    78.305   12.769      ?      ? 
1 1 1  -28   11   73 o  142.991   10.079  148.595   19.530   0.0000   0.0000  148.595   19.530  ?   ?   142.991   10.079      ?      ? 
1 1 1  -28   11   74 o   39.871   15.141   10.966   11.285   0.0000   0.0000   10.966   11.285  ?   ?    39.871   15.141      ?      ? 
1 1 1  -28   11   75 o   41.538   15.658   12.496   12.011   0.0000   0.0000   12.496   12.011  ?   ?    41.538   15.658      ?      ? 
1 1 1  -28   11   76 o   50.209   16.160   21.173   12.490   0.0000   0.0000   21.173   12.490  ?   ?    50.209   16.160      ?      ? 
1 1 1  -28   12    1 o  134.211   4.5841  121.001   7.9918  117.183   9.8999  128.143   13.541  131.291   5.5643  137.131   7.2865 -5.840073 9.168159 
1 1 1  -28   12    2 o  176.954   5.3933  214.035   12.898  225.748   17.951  201.533   18.545  182.021   7.2775  171.888   7.9618 10.13358 10.78663 
1 1 1  -28   12    3 o  427.167   6.6466  1248.45   34.272  1249.28   40.219  1246.23   65.492  428.320   6.9291  426.014   11.344 2.306030 13.29316 
1 1 1  -28   12    4 o  175.895   4.8223  212.261   10.812  215.532   13.267  205.793   18.654  178.075   5.4979  173.715   7.9240 4.360336 9.644514 
1 1 1  -28   12    5 o   89.186   5.3349   54.748   6.3433   57.701   8.3947   50.819   9.6845   92.069   6.7283   86.302   8.2808 5.767143 10.66971 
1 1 1  -28   12    6 o  104.808   9.7501   75.144   13.848   75.144   13.848   0.0000   0.0000  104.808   9.7501  ?   ?       ?      ? 
1 1 1  -28   12    7 o  169.930   5.2209  194.858   11.937  181.987   15.786  212.046   18.243  163.471   7.1262  176.390   7.6319 -12.91879 10.44170 
1 1 1  -28   12    8 o  327.026   5.7170  726.337   22.977  722.213   27.228  736.539   42.824  325.863   6.1660  328.189   9.6290 -2.326141 11.43406 
1 1 1  -28   12    9 f  225.213   5.0889  352.414   14.502  366.093   17.792  325.332   25.035  232.077   5.6572  218.350   8.4607 13.72719 10.17781 
1 1 1  -28   12   10 o  141.738   5.1490  142.505   9.4046  160.369   12.089  115.122   14.968  153.590   5.8082  129.885   8.5037 23.70450 10.29797 
1 1 1  -28   12   11 o  209.292   5.1660  309.630   13.685  334.145   17.001  264.519   23.062  221.722   5.6583  196.863   8.6448 24.85956 10.33193 
1 1 1  -28   12   12 o  344.255   5.9096  808.785   25.039  809.204   29.749  807.769   46.373  344.899   6.3649  343.611   9.9590 1.288513 11.81925 
1 1 1  -28   12   13 o  339.030   5.8425  775.476   24.263  764.277   28.627  804.038   45.718  335.202   6.3021  342.858   9.8398 -7.655853 11.68495 
1 1 1  -28   12   14 o  150.155   5.5796  153.912   11.336  161.884   15.924  145.721   16.142  154.132   7.6239  146.177   8.1487 7.955399 11.15913 
1 1 1  -28   12   15 o  326.405   5.8346  740.063   23.587  760.980   28.357  693.097   42.492  334.488   6.2561  318.323   9.8504 16.16440 11.66913 
1 1 1  -28   12   16 o  336.180   5.8974  781.853   24.481  798.169   29.308  744.190   44.527  342.550   6.3136  329.810   9.9627 12.74072 11.79478 
1 1 1  -28   12   17 o  209.874   4.9812  290.868   13.317  274.762   16.069  326.183   23.795  201.030   5.8987  218.717   8.0283 -17.68745 9.962321 
1 1 1  -28   12   18 f  150.853   4.9280  148.851   9.7425  132.864   12.072  178.710   16.498  139.752   6.3745  161.954   7.5172 -22.20174 9.856059 
1 1 1  -28   12   19 o  228.147   5.1866  353.949   14.985  352.844   18.189  356.283   26.435  227.808   5.8919  228.485   8.5376 -0.6771698 10.37329 
1 1 1  -28   12   20 o  334.929   6.3419  763.126   28.784  763.126   28.784   0.0000   0.0000  334.929   6.3419  ?   ?       ?      ? 
1 1 1  -28   12   21 o  160.566   5.2520  182.710   10.791  201.382   13.653  151.635   17.613  172.103   5.8542  149.029   8.7213 23.07339 10.50395 
1 1 1  -28   12   22 o  106.786   5.4356   76.265   7.7648   69.142   10.049   86.820   12.232  100.741   7.3610  112.832   7.9999 -12.09100 10.87123 
1 1 1  -28   12   23 o   86.791   6.0918   51.165   7.1172   49.293   9.4614   53.606   10.802   85.001   8.2139   88.581   8.9985 -3.579803 12.18363 
1 1 1  -28   12   24 o  183.028   5.0550  224.196   11.921  215.817   14.608  240.901   20.625  178.134   6.0513  187.922   8.0989 -9.787918 10.10991 
1 1 1  -28   12   25 o  429.085   6.8200  1272.78   35.651  1290.38   42.222  1229.06   66.543  435.234   7.1587  422.936   11.610 12.29849 13.63997 
1 1 1  -28   12   26 o  192.316   5.0622  241.938   12.447  223.660   15.021  281.989   22.235  181.326   6.1129  203.305   8.0706 -21.97882 10.12435 
1 1 1  -28   12   27 o  131.168   5.3768  116.606   9.2414  114.628   11.622  120.007   15.239  129.763   6.6093  132.573   8.4826 -2.809494 10.75351 
1 1 1  -28   12   28 o  129.031   5.5404  116.976   9.2757  127.740   11.883  100.191   14.839  136.999   6.4009  121.062   9.0451 15.93721 11.08085 
1 1 1  -28   12   29 o  116.538   7.2601   90.993   11.080  101.162   18.587   85.389   13.799  121.331   11.305  111.746   9.1126 9.585197 14.52011 
1 1 1  -28   12   30 o  156.481   5.5972  166.053   11.775  159.338   15.569  175.027   17.999  152.862   7.5157  160.100   8.2962 -7.237854 11.19433 
1 1 1  -28   12   31 o   61.743   8.9630   27.268   7.2440   26.231   10.415   28.240   10.083   60.504   13.083   62.982   12.254 -2.478256 17.92590 
1 1 1  -28   12   32 o  151.894   5.7198  158.543   11.653  165.704   15.624  149.568   17.492  155.879   7.3965  147.909   8.7269 7.970322 11.43969 
1 1 1  -28   12   33 o   54.944   8.5610   21.064   6.4461   13.046   8.8133   30.287   9.4524   43.474   13.523   66.415   10.503 -22.94120 17.12209 
1 1 1  -28   12   34 o   57.090   8.2286   25.981   6.9530   43.825   9.2310   2.5810   10.571   80.064   8.5080   34.117   14.087 45.94726 16.45728 
1 1 1  -28   12   35 o  224.416   6.0159  342.824   18.295  342.824   18.295   0.0000   0.0000  224.416   6.0159  ?   ?       ?      ? 
1 1 1  -28   12   36 o  176.714   5.3219  214.068   12.016  215.898   14.754  210.464   20.704  178.064   6.1146  175.365   8.7122 2.699142 10.64382 
1 1 1  -28   12   37 o  124.667   5.9410  111.507   9.4305  125.443   11.972   88.718   15.309  135.672   6.5115  113.662   9.9391 22.01022 11.88209 
1 1 1  -28   12   38 o   74.357   7.3736   37.004   7.3104   32.479   9.3688   44.048   11.689   68.744   10.057   79.971   10.786 -11.22696 14.74721 
1 1 1  -28   12   39 o  188.323   5.4207  241.695   12.933  240.454   15.699  244.316   22.812  187.857   6.1670  188.788   8.9166 -0.9307556 10.84148 
1 1 1  -28   12   40 o  211.890   5.3191  289.027   14.210  261.623   16.877  355.786   26.341  195.895   6.3574  227.885   8.5296 -31.99016 10.63819 
1 1 1  -28   12   41 o  110.737   5.6432   84.124   8.3567   82.685   12.844   85.181   11.004  109.819   8.6308  111.654   7.2728 -1.835052 11.28643 
1 1 1  -28   12   42 f  108.088   8.7982   80.176   12.887   80.176   12.887   0.0000   0.0000  108.088   8.7982  ?   ?       ?      ? 
1 1 1  -28   12   43 o  154.952   6.5935  170.408   12.279  153.350   22.952  177.247   14.533  148.782   11.384  161.122   6.6562 -12.33986 13.18697 
1 1 1  -28   12   44 o  205.903   6.7157  289.606   18.739   0.0000   0.0000  289.606   18.739  ?   ?   205.903   6.7157      ?      ? 
1 1 1  -28   12   45 o  142.341   10.698  140.257   20.636   0.0000   0.0000  140.257   20.636  ?   ?   142.341   10.698      ?      ? 
1 1 1  -28   12   46 o  101.282   7.6819   66.122   10.165   50.557   12.594   95.214   17.218   85.381   10.885  117.182   10.843 -31.80084 15.36375 
1 1 1  -28   12   47 o  171.450   5.1087  201.761   11.809  196.825   17.487  205.900   16.011  169.415   7.6167  173.485   6.8103 -4.069397 10.21739 
1 1 1  -28   12   48 o   96.548   6.1472   64.117   7.9494   64.793   12.231   63.622   10.460   96.871   9.3171   96.224   8.0217 0.6465073 12.29449 
1 1 1  -28   12   49 o   92.145   6.4749   59.332   7.9742   53.173   11.895   64.358   10.746   87.577   10.023   96.712   8.1996 -9.135162 12.94985 
1 1 1  -28   12   50 o   67.914   9.9094   32.744   8.5362   29.854   10.618   38.025   14.354   64.122   12.669   71.706   15.241 -7.584061 19.81882 
1 1 1  -28   12   51 o  111.467   5.6410   84.574   8.4588   93.790   12.953   77.721   11.169  116.651   8.1941  106.283   7.7550 10.36853 11.28193 
1 1 1  -28   12   52 o   63.484   8.4728   31.239   6.8554   18.167   10.424   41.201   9.1003   49.779   14.542   77.190   8.6999 -27.41066 16.94555 
1 1 1  -28   12   53 o   75.754   7.0335   40.375   7.0897   37.668   10.892   42.365   9.3390   73.304   10.965   78.204   8.8123 -4.899567 14.06695 
1 1 1  -28   12   54 o  160.300   5.1522  178.751   11.072  157.294   16.179  197.648   15.184  150.931   7.9102  169.669   6.6038 -18.73830 10.30447 
1 1 1  -28   12   55 o  197.433   5.0155  269.121   13.369  258.416   19.524  278.569   18.343  193.568   7.4433  201.299   6.7244 -7.731613 10.03092 
1 1 1  -28   12   56 o  206.499   4.9968  294.131   13.946  289.904   20.386  297.849   19.121  204.966   7.3395  208.031   6.7825 -3.064713 9.993550 
1 1 1  -28   12   57 o   90.855   6.3550   57.714   7.7286   56.588   11.818   58.556   10.216   89.863   9.7042   91.846   8.2082 -1.982559 12.71009 
1 1 1  -28   12   58 o  109.903   7.3722   88.429   9.7136   77.927   18.017   92.732   11.533  104.018   12.782  115.788   7.3503 -11.76988 14.74443 
1 1 1  -28   12   59 o   42.677   10.637   8.3134   8.1669   23.154   13.402  -0.4526   10.300   54.817   16.608   30.536   13.295 24.28130 21.27358 
1 1 1  -28   12   60 o   36.619   9.8682   7.0803   7.0698   11.654   9.6697   1.8278   10.363   40.999   14.235   32.239   13.670 8.760742 19.73634 
1 1 1  -28   12   61 o  134.168   6.4001  128.971   11.309  139.477   14.784  114.150   17.559  141.552   7.7070  126.783   10.220 14.76855 12.80029 
1 1 1  -28   12   62 o  118.399   6.4630   96.128   10.224   81.401   13.223  118.028   16.125  107.464   9.0797  129.335   9.2001 -21.87081 12.92600 
1 1 1  -28   12   63 o   66.161   9.4150   33.175   8.0858   32.586   10.719   33.953   12.317   65.885   12.462   66.437   14.116 -0.5524216 18.83004 
1 1 1  -28   12   64 o   49.260   13.774   18.742   9.5528   18.742   9.5528   0.0000   0.0000   49.260   13.774  ?   ?       ?      ? 
1 1 1  -28   12   65 o   84.684   7.5936   51.062   8.5812   47.648   11.068   56.207   13.588   81.532   10.017   87.837   11.415 -6.305107 15.18718 
1 1 1  -28   12   66 o   96.272   9.1897   71.496   11.260   56.562   16.783   83.722   15.185   84.858   15.150  107.686   10.405 -22.82762 18.37934 
1 1 1  -28   12   67 o   89.233   10.093   65.067   11.071   43.349   16.845   81.583   14.689   72.178   17.420  106.287   10.199 -34.10876 20.18622 
1 1 1  -28   12   68 o   41.145   11.037   11.498   8.3483   10.736   13.548   11.964   10.600   41.412   16.350   40.878   14.831 0.5339890 22.07467 
1 1 1  -28   12   69 o   39.828   10.920   8.9239   8.4554   16.099   13.280   4.0324   10.965   45.824   16.605   33.831   14.188 11.99235 21.84090 
1 1 1  -28   12   70 o   39.913   11.046   9.3547   8.6249   14.911   13.535   5.5563   11.191   44.660   16.663   35.167   14.506 9.493557 22.09231 
1 1 1  -28   12   71 o   50.636   15.691   21.102   11.879   0.0000   0.0000   21.102   11.879  ?   ?    50.636   15.691      ?      ? 
1 1 1  -28   12   72 o   30.901   13.615   0.0763   11.094   0.0000   0.0000   0.0763   11.094  ?   ?    30.901   13.615      ?      ? 
1 1 1  -28   12   73 o   43.543   15.776   14.707   11.986   0.0000   0.0000   14.707   11.986  ?   ?    43.543   15.776      ?      ? 
1 1 1  -28   12   74 o   32.008   13.864   1.9956   11.086   0.0000   0.0000   1.9956   11.086  ?   ?    32.008   13.864      ?      ? 
1 1 1  -28   12   75 o   25.365   12.022  -9.6959   11.061   0.0000   0.0000  -9.6959   11.061  ?   ?    25.365   12.022      ?      ? 
1 1 1  -28   13    1 o  343.988   10.030  812.804   46.755   0.0000   0.0000  812.804   46.755  ?   ?   343.988   10.030      ?      ? 
1 1 1  -28   13    2 o  148.907   5.8245  152.402   11.690  139.982   16.942  163.689   16.151  143.001   8.7425  154.814   7.6986 -11.81299 11.64908 
1 1 1  -28   13    3 o  164.152   5.1382  183.977   11.246  184.569   14.664  183.133   17.523  164.575   6.5750  163.728   7.8977 0.8474426 10.27643 
1 1 1  -28   13    4 o  137.048   5.1720  127.784   9.5248  125.420   12.624  130.907   14.513  135.637   6.8679  138.459   7.7351 -2.821732 10.34404 
1 1 1  -28   13    5 o  197.663   6.6105  266.216   17.707  266.216   17.707   0.0000   0.0000  197.663   6.6105  ?   ?       ?      ? 
1 1 1  -28   13    6 o  198.269   5.2011  263.941   13.685  248.553   17.442  288.581   22.072  190.979   6.7395  205.558   7.9235 -14.57922 10.40211 
1 1 1  -28   13    7 o   76.488   6.3591   40.129   6.5750   38.452   9.5084   41.665   9.1020   74.921   9.3653   78.055   8.6050 -3.134514 12.71826 
1 1 1  -28   13    8 o  104.655   5.6113   74.458   7.8987   62.602   10.807   88.056   11.573   95.708   8.3325  113.601   7.5177 -17.89291 11.22260 
1 1 1  -28   13    9 o  149.021   5.3251  152.932   10.642  164.886   14.438  138.710   15.749  155.547   6.8494  142.495   8.1557 13.05116 10.65028 
1 1 1  -28   13   10 o  149.968   5.2463  150.506   10.559  128.697   13.896  180.306   16.244  137.349   7.4659  162.587   7.3725 -25.23727 10.49253 
1 1 1  -28   13   11 o  119.450   5.5013   96.772   8.8474   82.410   12.043  113.614   13.041  109.846   8.0901  129.053   7.4569 -19.20755 11.00254 
1 1 1  -28   13   12 o  174.753   5.3689  210.312   12.559  223.796   16.854  193.477   18.833  181.221   6.8631  168.284   8.2582 12.93677 10.73783 
1 1 1  -28   13   13 o  115.602   6.9700   86.759   10.333  106.741   18.491   77.686   12.460  124.609   10.950  106.596   8.6261 18.01284 13.93995 
1 1 1  -28   13   14 o   85.059   6.4653   49.388   7.4270   55.398   10.785   43.968   10.243   89.995   8.8434   80.123   9.4336 9.871857 12.93054 
1 1 1  -28   13   15 o  116.397   5.5855   92.164   8.7944   86.285   12.027   98.919   12.892  112.423   7.8947  120.371   7.9034 -7.948715 11.17096 
1 1 1  -28   13   16 f  182.404   5.3081  225.373   12.952  217.418   16.879  236.761   20.197  178.603   6.9740  186.205   8.0041 -7.601959 10.61611 
1 1 1  -28   13   17 o  126.967   5.6326  110.766   9.6290  120.797   13.335   99.839   13.918  133.078   7.3945  120.855   8.4984 12.22223 11.26511 
1 1 1  -28   13   18 o  148.324   7.2807  150.034   14.634  150.034   14.634   0.0000   0.0000  148.324   7.2807  ?   ?       ?      ? 
1 1 1  -28   13   19 o  152.239   7.2056  158.045   14.866  158.045   14.866   0.0000   0.0000  152.239   7.2056  ?   ?       ?      ? 
1 1 1  -28   13   20 o  102.011   5.7501   71.828   7.7662   74.908   10.096   67.364   12.154  104.816   7.1080   99.207   9.0406 5.608940 11.50023 
1 1 1  -28   13   21 f   77.118   6.5106   40.278   6.7617   36.785   8.9730   44.868   10.286   73.307   9.0326   80.930   9.3788 -7.623032 13.02110 
1 1 1  -28   13   22 o  200.304   5.1016  273.076   13.064  271.925   15.999  275.377   22.630  199.889   5.9062  200.719   8.3199 -0.8299408 10.20315 
1 1 1  -28   13   23 o  197.017   5.1687  267.211   13.041  272.406   16.099  257.296   22.243  200.056   5.9384  193.978   8.4615 6.077835 10.33741 
1 1 1  -28   13   24 o  133.897   5.4128  125.895   9.4348  137.625   12.145  108.040   14.984  142.151   6.3046  125.642   8.8005 16.50922 10.82569 
1 1 1  -28   13   25 o  158.832   5.1187  169.616   10.574  163.538   13.109  180.936   17.890  154.959   6.2425  162.706   8.1139 -7.746765 10.23742 
1 1 1  -28   13   26 o  139.383   5.5780  138.578   9.9823  156.229   12.792  111.091   15.963  151.451   6.2328  127.314   9.2524 24.13715 11.15595 
1 1 1  -28   13   27 o  346.694   6.5159  818.262   29.773  800.244   37.745  847.934   48.438  342.114   8.1416  351.273   10.176 -9.158783 13.03179 
1 1 1  -28   13   28 o  192.803   5.6488  253.126   14.683  244.839   19.660  263.580   22.081  189.316   7.6632  196.289   8.3012 -6.973282 11.29754 
1 1 1  -28   13   29 f  100.474   5.8742   68.327   7.9000   64.581   10.280   73.728   12.346   97.206   7.8043  103.743   8.7815 -6.536659 11.74831 
1 1 1  -28   13   30 o  153.480   5.5379  168.573   10.841  188.989   13.766  135.240   17.591  166.557   6.0992  140.403   9.2453 26.15399 11.07589 
1 1 1  -28   13   31 o  111.108   5.7552   84.096   8.4465   82.796   10.764   86.179   13.626  110.113   7.2134  112.103   8.9697 -1.989677 11.51043 
1 1 1  -28   13   32 o  177.701   5.3216  219.687   12.067  228.030   14.922  203.919   20.514  182.941   6.0192  172.461   8.7777 10.48039 10.64320 
1 1 1  -28   13   33 o   46.787   13.077   15.678   8.6126   15.678   8.6126   0.0000   0.0000   46.787   13.077  ?   ?       ?      ? 
1 1 1  -28   13   34 o   78.378   8.8806   42.159   9.4323   42.159   9.4323   0.0000   0.0000   78.378   8.8806  ?   ?       ?      ? 
1 1 1  -28   13   35 o   65.103   7.9574   29.730   6.8013   29.448   9.0221   30.101   10.351   65.357   10.187   64.849   12.228 0.5083160 15.91478 
1 1 1  -28   13   36 o   98.531   6.8791   67.054   9.1520   61.064   13.015   72.913   12.872   94.085   10.208  102.977   9.2238 -8.892303 13.75818 
1 1 1  -28   13   37 o  170.929   5.8759  201.024   13.513  205.991   18.197  194.918   20.178  173.428   7.7428  168.430   8.8404 4.997955 11.75171 
1 1 1  -28   13   38 o   58.912   9.7687   25.783   7.7477   19.150   11.410   31.459   10.554   51.567   15.257   66.257   12.204 -14.69072 19.53736 
1 1 1  -28   13   39 o  205.573   5.3650  284.877   14.081  276.035   17.117  303.385   24.764  201.074   6.2819  210.073   8.6990 -8.998413 10.73009 
1 1 1  -28   13   40 o  243.367   5.4856  395.991   16.801  379.685   20.114  433.624   30.557  235.784   6.2950  250.950   8.9856 -15.16643 10.97126 
1 1 1  -28   13   41 o  237.672   5.4710  381.678   16.379  371.975   19.692  403.460   29.504  233.361   6.2269  241.982   8.9974 -8.620499 10.94199 
1 1 1  -28   13   42 o  143.011   6.0979  141.087   11.771  144.175   16.058  137.501   17.305  144.819   8.1825  141.203   9.0435 3.616257 12.19586 
1 1 1  -28   13   43 o  145.906   6.0237  146.354   11.881  142.980   16.169  150.313   17.517  144.148   8.2772  147.664   8.7537 -3.516479 12.04741 
1 1 1  -28   13   44 o  238.361   5.8945  394.654   18.562  407.555   23.972  375.340   29.332  243.735   7.2578  232.987   9.2901 10.74808 11.78909 
1 1 1  -28   13   45 o   61.139   8.3862   25.135   6.7018   37.367   10.860   17.612   8.5171   73.179   10.951   49.099   12.704 24.08075 16.77242 
1 1 1  -28   13   46 o  189.105   5.0200  247.798   12.735  214.350   18.384  278.651   17.657  176.510   7.6859  201.701   6.4598 -25.19009 10.04004 
1 1 1  -28   13   47 o  171.920   4.9706  201.828   11.518  213.613   17.384  192.605   15.378  176.286   7.2770  167.553   6.7729 8.732666 9.941212 
1 1 1  -28   13   48 o  124.635   6.6062  101.978   10.740   87.517   13.187  130.475   18.512  112.448   8.6538  136.823   9.9840 -24.37527 13.21241 
1 1 1  -28   13   49 o   81.659   6.7316   45.010   7.3037   59.801   11.396   34.699   9.5148   92.803   9.0616   70.514   9.9573 22.28829 13.46328 
1 1 1  -28   13   50 o   54.254   8.6442   22.187   6.2419   16.921   9.9584   25.595   8.0108   47.957   14.268   60.551   9.7628 -12.59377 17.28848 
1 1 1  -28   13   51 o   54.021   8.4653   26.935   7.1958  -4.0281   13.529   39.150   8.4975   32.899   14.731   75.142   8.3449 -42.24373 16.93063 
1 1 1  -28   13   52 o   86.636   9.4274   53.944   11.055   56.082   16.128   52.049   15.182   88.190   13.495   85.083   13.167 3.106422 18.85484 
1 1 1  -28   13   53 o  157.537   6.4756  175.217   13.239  180.221   16.655  166.631   21.819  161.358   7.6169  153.716   10.475 7.642715 12.95126 
1 1 1  -28   13   54 o   67.735   9.2400   32.857   8.2498   25.280   10.865   43.170   12.677   57.829   14.012   77.641   12.049 -19.81203 18.48001 
1 1 1  -28   13   55 o   76.568   8.3580   43.075   8.2774   46.253   10.964   38.862   12.623   80.967   9.9923   72.169   13.401 8.797958 16.71591 
1 1 1  -28   13   56 o  136.749   6.1337  126.471   11.153  108.650   14.195  155.210   18.027  124.724   8.3987  148.775   8.9414 -24.05071 12.26730 
1 1 1  -28   13   57 f  209.181   7.0462  310.975   19.815  301.747   29.662  318.411   26.627  205.729   10.640  212.633   9.2407 -6.904221 14.09236 
1 1 1  -28   13   58 o   52.826   10.116   21.552   7.4142   22.277   10.068   20.693   10.959   53.916   13.740   51.737   14.852 2.179630 20.23287 
1 1 1  -28   13   59 o  103.400   6.5683   73.176   9.0514   60.465   11.649   92.545   14.380   92.434   9.2996  114.366   9.2783 -21.93187 13.13654 
1 1 1  -28   13   60 o   78.619   7.5814   43.405   7.9651   35.213   10.442   54.805   12.318   69.825   11.035   87.414   10.399 -17.58881 15.16277 
1 1 1  -28   13   61 o   47.815   9.9390   17.341   6.9559   13.198   9.4292   22.286   10.303   42.181   14.069   53.450   14.042 -11.26819 19.87807 
1 1 1  -28   13   62 o   63.799   12.084   30.722   10.065   30.722   10.065   0.0000   0.0000   63.799   12.084  ?   ?       ?      ? 
1 1 1  -28   13   63 o   44.975   10.778   15.252   8.1719   8.9245   12.097   20.564   11.083   39.109   15.446   50.841   15.035 -11.73267 21.55582 
1 1 1  -28   13   64 o   63.269   10.620   31.573   8.8938   35.934   13.723   28.415   11.679   66.787   15.467   59.751   14.557 7.036606 21.23988 
1 1 1  -28   13   65 o   31.750   9.5538   1.4992   7.5291  -6.0835   11.815   6.6843   9.7699   28.522   13.153   34.978   13.860 -6.455044 19.10765 
1 1 1  -28   13   66 o   45.977   11.094   15.355   8.4443   23.769   13.099   9.3723   11.046   53.529   16.459   38.425   14.881 15.10383 22.18865 
1 1 1  -28   13   67 o   59.355   11.064   30.024   9.4157   19.923   14.190   37.970   12.586   49.352   17.238   69.358   13.875 -20.00644 22.12857 
1 1 1  -28   13   68 o   41.609   10.741   11.482   8.6970   0.8277   12.905   20.347   11.772   33.450   14.713   49.768   15.653 -16.31844 21.48212 
1 1 1  -28   13   69 o   69.663   11.088   39.717   10.193   45.640   15.257   34.942   13.697   74.504   15.611   64.822   15.748 9.681351 22.17502 
1 1 1  -28   13   70 o   32.972   14.171   2.7642   11.405   0.0000   0.0000   2.7642   11.405  ?   ?    32.972   14.171      ?      ? 
1 1 1  -28   13   71 o   99.916   11.761   75.380   15.925   0.0000   0.0000   75.380   15.925  ?   ?    99.916   11.761      ?      ? 
1 1 1  -28   13   72 o   31.951   13.997   1.3208   11.577   0.0000   0.0000   1.3208   11.577  ?   ?    31.951   13.997      ?      ? 
1 1 1  -28   13   73 f   39.400   15.625   10.608   12.424   0.0000   0.0000   10.608   12.424  ?   ?    39.400   15.625      ?      ? 
1 1 1  -28   14    1 o  136.962   4.8171  127.966   8.9134  114.659   12.345  142.460   12.883  129.497   7.0347  144.426   6.5826 -14.92873 9.634165 
1 1 1  -28   14    2 o  124.191   5.0186  105.530   7.9917  105.691   9.8326  105.217   13.718  124.513   5.8273  123.870   8.1724 0.6437912 10.03720 
1 1 1  -28   14    3 o   68.444   6.3084   31.402   5.7286   28.589   7.2693   36.011   9.3059   64.562   8.3086   72.327   9.4946 -7.764427 12.61670 
1 1 1  -28   14    4 f  110.403   6.1362   83.130   9.1804   83.130   9.1804   0.0000   0.0000  110.403   6.1362  ?   ?       ?      ? 
1 1 1  -28   14    5 o   81.828   6.0256   47.423   6.4129   52.711   8.3022   39.600   10.098   87.834   6.9750   75.821   9.8276 12.01254 12.05129 
1 1 1  -28   14    6 o  114.406   5.1510   89.825   7.6653   90.724   9.6091   88.252   12.711  115.344   6.1476  113.469   8.2667 1.874840 10.30202 
1 1 1  -28   14    7 o   92.240   5.7675   60.014   6.9277   65.999   8.9443   51.041   10.952   98.323   6.7129   86.158   9.3805 12.16540 11.53499 
1 1 1  -28   14    8 o  147.889   4.9692  149.856   9.4292  150.815   11.623  148.009   16.126  148.781   5.7649  146.998   8.0955 1.783264 9.938369 
1 1 1  -28   14    9 o   76.283   6.1984   40.995   6.2149   45.942   8.1996   34.316   9.5275   81.975   7.3812   70.590   9.9599 11.38556 12.39686 
1 1 1  -28   14   10 o   64.325   6.6869   28.315   5.8060   27.053   7.8078   29.876   8.6835   62.755   9.1811   65.894   9.7245 -3.138409 13.37386 
1 1 1  -28   14   11 o  112.906   5.8887   87.530   8.9233   72.556   12.422  103.493   12.826  102.816   8.9158  122.996   7.6952 -20.17966 11.77742 
1 1 1  -28   14   12 o   61.244   8.5485   26.407   6.7532   29.706   10.638   24.181   8.7402   64.334   12.653   58.153   11.498 6.180729 17.09699 
1 1 1  -28   14   13 o  147.169   5.0215  146.644   9.6379  143.253   12.025  152.736   16.117  144.964   6.1213  149.373   7.9620 -4.409210 10.04306 
1 1 1  -28   14   14 o  160.108   5.0140  174.607   10.427  173.360   12.990  176.865   17.484  159.489   6.0105  160.727   8.0271 -1.238113 10.02798 
1 1 1  -28   14   15 o  144.445   5.2156  146.142   9.7097  155.388   12.227  130.355   15.977  151.001   5.9752  137.888   8.5501 13.11238 10.43112 
1 1 1  -28   14   16 o   72.319   6.9999   35.944   6.4164   23.891   8.5341   51.617   9.7315   57.838   11.294   86.799   8.2733 -28.96141 13.99974 
1 1 1  -28   14   17 o  132.329   6.2696  119.410   11.243  119.410   11.243   0.0000   0.0000  132.329   6.2696  ?   ?       ?      ? 
1 1 1  -28   14   18 o   59.181   8.2503   26.264   6.3446   33.974   8.4831   16.477   9.5579   70.355   8.8977   48.007   13.896 22.34793 16.50059 
1 1 1  -28   14   19 o   75.333   6.6467   38.450   6.7268   34.876   8.8322   43.386   10.381   71.254   9.1470   79.412   9.6461 -8.158081 13.29336 
1 1 1  -28   14   20 o  150.907   5.1869  155.854   10.145  156.272   12.636  155.096   17.016  151.390   6.1593  150.425   8.3473 0.9651794 10.37372 
1 1 1  -28   14   21 o   91.249   6.0383   56.831   7.3929   55.209   9.7321   59.045   11.368   89.785   7.9987   92.714   9.0479 -2.928940 12.07656 
1 1 1  -28   14   22 o  127.182   5.4057  111.918   9.0086  115.872   11.489  105.605   14.516  130.303   6.5063  124.060   8.6345 6.243744 10.81138 
1 1 1  -28   14   23 o   91.065   6.0780   57.275   7.3751   59.127   9.6844   54.718   11.379   92.943   7.6891   89.186   9.4152 3.756958 12.15597 
1 1 1  -28   14   24 o  106.984   6.1793   78.641   8.9519   80.780   12.543   76.420   12.780  108.501   8.5305  105.466   8.9423 3.034370 12.35858 
1 1 1  -28   14   25 f   68.599   8.0882   33.389   7.2734   30.159   10.677   36.186   9.9357   64.774   12.617   72.424   10.124 -7.649940 16.17633 
1 1 1  -28   14   26 o  119.837   7.9703  103.494   11.803   89.206   20.773  110.305   14.343  112.877   13.580  126.796   8.3472 -13.91935 15.94051 
1 1 1  -28   14   27 o  145.333   5.8397  145.924   11.417  158.108   15.704  132.264   16.628  151.946   7.6266  138.720   8.8455 13.22540 11.67935 
1 1 1  -28   14   28 o   63.757   8.8996   30.502   7.4233   18.293   10.930   40.954   10.113   50.445   14.935   77.070   9.6834 -26.62495 17.79913 
1 1 1  -28   14   29 o  180.131   5.6880  220.680   13.780  208.059   18.206  237.608   21.085  174.242   7.7104  186.019   8.3643 -11.77701 11.37593 
1 1 1  -28   14   30 o  159.680   5.3426  174.364   11.113  173.477   13.904  175.931   18.490  159.362   6.4383  159.998   8.5277 -0.6360474 10.68519 
1 1 1  -28   14   31 o  206.247   5.5551  301.064   14.452  319.847   17.815  264.914   24.714  216.465   6.0731  196.030   9.3034 20.43526 11.11017 
1 1 1  -28   14   32 o  199.225   6.1642  271.043   16.642  271.043   16.642   0.0000   0.0000  199.225   6.1642  ?   ?       ?      ? 
1 1 1  -28   14   33 o  223.073   5.4215  344.509   15.272  350.288   18.597  332.538   26.766  226.489   6.0591  219.656   8.9921 6.833389 10.84294 
1 1 1  -28   14   34 o  129.268   5.5995  112.277   9.5130  105.130   11.909  124.875   15.812  123.882   7.0942  134.654   8.6655 -10.77254 11.19901 
1 1 1  -28   14   35 o  227.793   5.2167  320.907   14.714  276.479   17.135  445.656   28.713  201.107   6.2875  254.479   8.3261 -53.37276 10.43345 
1 1 1  -28   14   36 f  158.502   5.4707  177.243   11.105  188.524   13.895  157.298   18.476  166.068   6.1744  150.937   9.0328 15.13116 10.94141 
1 1 1  -28   14   37 o   88.722   6.3628   53.683   7.5320   50.645   9.7192   58.250   11.918   85.735   8.3654   91.708   9.5897 -5.973190 12.72562 
1 1 1  -28   14   38 o  197.757   5.3419  268.674   13.433  268.523   16.386  268.982   23.454  198.155   6.1023  197.358   8.7696 0.7967987 10.68383 
1 1 1  -28   14   39 o  121.753   5.7056  102.451   9.0466  103.318   11.358  100.949   14.962  122.745   6.8282  120.760   9.1429 1.985123 11.41129 
1 1 1  -28   14   40 o  123.570   5.7308  105.371   9.2393  105.606   11.610  104.965   15.258  124.051   6.9063  123.088   9.1472 0.9637222 11.46161 
1 1 1  -28   14   41 o   85.828   7.3151   51.440   8.5018   49.722   12.098   53.116   11.950   84.353   10.583   87.303   10.101 -2.949356 14.63013 
1 1 1  -28   14   42 o   84.238   6.5360   47.308   7.3085   37.808   9.3467   62.255   11.724   73.766   9.3502   94.710   9.1351 -20.94448 13.07197 
1 1 1  -28   14   43 f  109.971   6.1766   86.347   8.7659   93.655   11.145   74.489   14.195  116.692   7.0477  103.250   10.145 13.44193 12.35311 
1 1 1  -28   14   44 o   74.971   7.0766   38.647   7.0668   35.996   9.0686   42.746   11.276   71.907   9.3065   78.035   10.663 -6.127853 14.15330 
1 1 1  -28   14   45 o   86.517   6.7147   52.473   7.6858   53.430   9.9166   51.033   12.163   87.798   8.3348   85.237   10.530 2.560944 13.42941 
1 1 1  -28   14   46 o  109.871   7.3997   83.343   11.017   83.343   11.017   0.0000   0.0000  109.871   7.3997  ?   ?       ?      ? 
1 1 1  -28   14   47 o   52.311   12.300   20.273   8.5726   20.273   8.5726   0.0000   0.0000   52.311   12.300  ?   ?       ?      ? 
1 1 1  -28   14   48 o  101.736   6.5104   71.173   8.8654   57.499   11.796   88.921   13.439   90.550   9.6131  112.921   8.7825 -22.37122 13.02087 
1 1 1  -28   14   49 o  103.417   6.7012   72.365   8.9787   47.333   11.661  108.815   14.071   81.806   10.519  125.028   8.3051 -43.22269 13.40238 
1 1 1  -28   14   50 o  118.850   6.2401   98.497   9.9492   96.660   13.123  100.980   15.257  117.797   8.2210  119.902   9.3900 -2.105774 12.48026 
1 1 1  -28   14   51 o   28.768   8.7592  -1.1671   6.3932   4.3934   9.3096  -6.1299   8.7951   33.084   13.386   24.452   11.301 8.632149 17.51846 
1 1 1  -28   14   52 o   85.534   7.1715   52.107   8.2696   54.717   11.342   49.146   12.083   88.064   9.5042   83.005   10.742 5.059013 14.34300 
1 1 1  -28   14   53 o   49.515   9.8714   18.733   6.9091   18.403   9.7181   19.070   9.8245   49.096   13.950   49.933   13.970 -0.8368301 19.74281 
1 1 1  -28   14   54 o   87.675   6.9086   54.193   8.1758   50.106   10.984   59.269   12.243   84.048   9.6441   91.302   9.8948 -7.254562 13.81728 
1 1 1  -28   14   55 o   55.746   10.946   22.987   8.4257   32.285   13.921   17.612   10.585   63.638   16.123   47.853   14.809 15.78511 21.89194 
1 1 1  -28   14   56 o   48.704   9.9842   18.391   6.9827   19.435   9.6893   17.264   10.072   50.098   13.822   47.309   14.411 2.789177 19.96836 
1 1 1  -28   14   57 o  103.505   6.4517   75.499   8.9637   72.036   11.786   80.251   13.805  100.968   8.6138  106.041   9.6072 -5.072159 12.90332 
1 1 1  -28   14   58 o   29.149   8.8409  -2.7345   7.2590 -20.9458   12.274   7.0619   9.0022   23.428   11.474   34.869   13.453 -11.44164 17.68171 
1 1 1  -28   14   59 o  110.316   10.003   87.616   14.953   0.0000   0.0000   87.616   14.953  ?   ?   110.316   10.003      ?      ? 
1 1 1  -28   14   61 o   67.070   16.113   36.889   14.462   36.889   14.462   0.0000   0.0000   67.070   16.113  ?   ?       ?      ? 
1 1 1  -28   14   62 o   72.958   10.090   43.450   9.5859   29.996   14.233   54.617   12.968   59.744   16.851   86.173   11.105 -26.42947 20.18070 
1 1 1  -28   14   63 o   33.254   9.9947   3.2033   7.8184   3.2452   11.823   3.1708   10.423   34.027   14.521   32.481   13.738 1.546139 19.98947 
1 1 1  -28   14   64 o   97.521   9.2076   74.687   11.251   51.990   16.108   96.304   15.720   80.069   15.405  114.974   10.090 -34.90451 18.41527 
1 1 1  -28   14   65 o   54.872   11.010   25.512   9.3004   13.501   13.749   35.644   12.628   43.215   16.639   66.529   14.423 -23.31440 22.01995 
1 1 1  -28   14   66 o   48.868   8.2982   12.552   8.7121 -21.4262   12.894   41.094   11.818   23.796   11.676   73.939   11.794 -50.14302 16.59637 
1 1 1  -28   14   67 o   34.553   10.365   4.2734   8.3657   5.5631   12.703   3.2857   11.117   36.111   15.214   32.995   14.080 3.116364 20.72963 
1 1 1  -28   14   68 o   59.528   15.176   29.637   12.280   0.0000   0.0000   29.637   12.280  ?   ?    59.528   15.176      ?      ? 
1 1 1  -28   14   69 o   70.964   14.274   41.070   13.251   0.0000   0.0000   41.070   13.251  ?   ?    70.964   14.274      ?      ? 
1 1 1  -28   14   70 o   27.420   12.544  -3.6505   10.458   0.0000   0.0000  -3.6505   10.458  ?   ?    27.420   12.544      ?      ? 
1 1 1  -28   14   71 o   45.106   15.825   17.227   11.965   0.0000   0.0000   17.227   11.965  ?   ?    45.106   15.825      ?      ? 
1 1 1  -28   14   72 o   30.848   13.716   0.5066   11.510   0.0000   0.0000   0.5066   11.510  ?   ?    30.848   13.716      ?      ? 
1 1 1  -28   15    1 o  125.276   4.9627  106.991   8.3570   89.368   11.379  127.624   12.313  114.069   7.3615  136.483   6.6574 -22.41335 9.925319 
1 1 1  -28   15    2 f   25.927   10.707   1.5299   6.1071   1.5299   6.1071   0.0000   0.0000   25.927   10.707  ?   ?       ?      ? 
1 1 1  -28   15    3 o  150.507   5.5987  154.656   11.419  154.656   11.419   0.0000   0.0000  150.507   5.5987  ?   ?       ?      ? 
1 1 1  -28   15    4 f  136.525   5.0431  126.426   8.8179  123.610   10.775  132.135   15.343  134.506   5.9115  138.544   8.1723 -4.037888 10.08625 
1 1 1  -28   15    5 o  200.733   5.0855  274.875   12.770  272.524   15.327  280.212   23.093  199.797   5.6610  201.668   8.4499 -1.870972 10.17091 
1 1 1  -28   15    6 o   99.676   5.4944   66.911   7.1884   63.113   8.9919   73.637   11.965   95.979   6.9134  103.374   8.5415 -7.395027 10.98875 
1 1 1  -28   15    7 o  124.376   5.1500  105.651   8.3149  104.552   10.345  107.658   13.976  123.678   6.1724  125.075   8.2458 -1.397408 10.30008 
1 1 1  -28   15    8 o   80.740   5.9619   44.785   6.4185   44.318   8.3450   45.461   10.043   80.338   7.6652   81.142   9.1336 -0.8041458 11.92385 
1 1 1  -28   15    9 o  115.626   5.1974   89.771   7.9104   84.091   9.9281   99.646   13.090  110.857   6.6088  120.396   8.0234 -9.539398 10.39475 
1 1 1  -28   15   10 o   68.049   7.8768   33.782   6.8541   25.442   10.102   40.898   9.3305   59.096   12.970   77.002   8.9417 -17.90568 15.75358 
1 1 1  -28   15   11 o   79.211   6.1268   41.522   6.4428   33.050   8.2504   54.762   10.314   69.245   8.7924   89.177   8.5348 -19.93234 12.25353 
1 1 1  -28   15   12 o  127.183   5.1877  109.326   8.5853  105.421   10.652  116.564   14.503  124.181   6.3300  130.184   8.2208 -6.003181 10.37543 
1 1 1  -28   15   13 o  187.067   5.1119  240.769   12.114  242.464   14.752  237.260   21.225  188.470   5.7762  185.663   8.4358 2.806320 10.22387 
1 1 1  -28   15   14 o   90.346   6.7677   51.240   6.9120   22.742   8.5160  106.258   11.833   56.141   11.578  124.551   7.0106 -68.40997 13.53535 
1 1 1  -28   15   15 o  178.775   5.8894  218.225   14.268  218.225   14.268   0.0000   0.0000  178.775   5.8894  ?   ?       ?      ? 
1 1 1  -28   15   16 o  127.334   5.3543  110.541   8.8344  108.821   10.954  113.742   14.943  126.154   6.4074  128.514   8.5803 -2.359398 10.70868 
1 1 1  -28   15   17 o   78.694   6.5017   43.153   6.7532   44.677   8.7163   40.863   10.682   80.630   7.9773   76.758   10.269 3.871376 13.00338 
1 1 1  -28   15   18 o   65.122   7.4939   29.739   6.3464   29.180   8.2171   30.564   9.9909   64.991   9.3299   65.252   11.730 -0.2608948 14.98788 
1 1 1  -28   15   19 o  124.875   5.2463   99.959   8.5107   83.865   10.382  132.939   14.862  110.655   6.9232  139.096   7.8844 -28.44090 10.49264 
1 1 1  -28   15   20 o   84.885   6.2289   49.678   6.9880   49.652   8.9493   49.719   11.186   85.021   7.7675   84.749   9.7397 0.2717743 12.45771 
1 1 1  -28   15   21 o  126.949   5.3405  109.847   8.8775  107.635   11.148  113.680   14.677  125.418   6.5592  128.481   8.4298 -3.063316 10.68106 
1 1 1  -28   15   22 o  104.670   5.6646   74.478   7.8430   71.527   9.9698   79.271   12.704  102.128   7.2037  107.212   8.7439 -5.084183 11.32917 
1 1 1  -28   15   23 o  198.764   5.3037  273.688   13.317  278.221   16.220  264.314   23.325  201.801   5.9312  195.728   8.7941 6.072113 10.60736 
1 1 1  -28   15   24 o  135.064   5.9115  125.547   10.796  123.836   14.740  127.526   15.856  134.138   8.1089  135.990   8.6039 -1.851761 11.82293 
1 1 1  -28   15   25 o  151.452   5.7943  154.875   11.752  126.845   15.530  192.443   17.979  135.650   8.4481  167.253   7.9325 -31.60297 11.58854 
1 1 1  -28   15   26 o   37.868   9.1325   8.8254   5.7693   5.0181   7.8084   13.403   8.5618   32.361   12.517   43.376   13.301 -11.01509 18.26492 
1 1 1  -28   15   27 f  132.437   5.6966  126.534   9.5823  141.348   12.109  101.716   15.673  143.735   6.2167  121.139   9.5476 22.59626 11.39320 
1 1 1  -28   15   28 o  148.625   5.3056  150.633   10.174  147.947   12.546  155.794   17.388  147.019   6.2970  150.232   8.5409 -3.213104 10.61128 
1 1 1  -28   15   29 o  180.883   5.2379  221.070   12.037  214.188   14.566  235.894   21.376  176.939   6.0747  184.826   8.5346 -7.886795 10.47575 
1 1 1  -28   15   30 o  134.765   6.4024  124.414   11.692  124.414   11.692   0.0000   0.0000  134.765   6.4024  ?   ?       ?      ? 
1 1 1  -28   15   31 o   62.267   8.0915   28.093   6.5279   30.033   8.5496   25.382   10.109   65.748   9.5959   58.787   13.031 6.960548 16.18309 
1 1 1  -28   15   32 o   95.865   6.0191   60.351   7.6010   50.324   9.4868   78.329   12.703   85.373   8.2000  106.357   8.8136 -20.98325 12.03828 
1 1 1  -28   15   33 o  123.744   5.4245   98.874   8.7474   82.619   10.719  131.289   15.136  109.597   7.2169  137.890   8.1003 -28.29298 10.84895 
1 1 1  -28   15   34 o  144.198   5.3208  140.203   9.9135  133.509   12.167  153.425   17.100  139.510   6.4356  148.887   8.4751 -9.376587 10.64164 
1 1 1  -28   15   35 o  159.252   5.3690  173.732   11.025  171.149   13.599  178.688   18.835  157.952   6.3532  160.551   8.6569 -2.598892 10.73804 
1 1 1  -28   15   36 o  112.448   5.6953   83.198   8.4225   70.760   10.477  105.927   14.163  101.259   7.6349  123.637   8.4530 -22.37885 11.39051 
1 1 1  -28   15   37 o  118.081   5.5608   92.591   8.6203   82.155   10.708  111.811   14.532  109.180   7.2373  126.983   8.4447 -17.80299 11.12166 
1 1 1  -28   15   38 o   85.142   6.4503   50.129   7.2733   48.768   9.2937   52.279   11.684   83.893   8.1749   86.392   9.9798 -2.499687 12.90063 
1 1 1  -28   15   39 o   87.010   7.3679   53.742   8.4869   67.601   12.142   40.504   11.867   98.465   9.0999   75.556   11.590 22.90863 14.73575 
1 1 1  -28   15   40 o   42.065   9.3672   11.670   6.2250   6.0974   8.2746   18.936   9.4490   33.803   12.934   50.327   13.553 -16.52387 18.73432 
1 1 1  -28   15   41 o  181.281   5.4212  225.701   12.433  222.326   15.048  232.958   22.067  179.855   6.1741  182.707   8.9128 -2.852890 10.84238 
1 1 1  -28   15   42 o  121.938   6.2678  104.001   10.268  105.142   13.709  102.543   15.497  122.952   8.2281  120.923   9.4572 2.028923 12.53554 
1 1 1  -28   15   43 o   79.472   7.4472   43.858   7.9209   35.632   10.482   54.808   12.093   70.822   10.922   88.122   10.127 -17.29970 14.89443 
1 1 1  -28   15   44 o   53.701   9.8135   21.543   7.2279   17.424   9.7376   26.597   10.786   48.105   14.055   59.296   13.699 -11.19178 19.62697 
1 1 1  -28   15   45 o   86.546   9.6347   52.821   11.300   52.821   11.300   0.0000   0.0000   86.546   9.6347  ?   ?       ?      ? 
1 1 1  -28   15   46 o  166.189   5.7501  189.942   12.692  179.157   16.216  206.997   20.392  160.581   7.4520  171.797   8.7591 -11.21626 11.50019 
1 1 1  -28   15   47 f   42.013   9.4567   11.463   6.6698   3.2643   9.1128   20.922   9.7885   31.696   13.083   52.329   13.658 -20.63251 18.91338 
1 1 1  -28   15   48 o  141.722   5.9021  134.863   11.088  111.455   14.044  173.606   18.068  126.158   8.2147  157.286   8.4768 -31.12819 11.80419 
1 1 1  -28   15   49 o   44.309   9.2994   13.587   6.6658   4.3891   9.1786   23.853   9.6964   32.683   13.268   55.935   13.034 -23.25216 18.59875 
1 1 1  -28   15   50 o   74.433   8.1510   40.067   7.7077   26.473   10.264   57.648   11.672   58.820   13.201   90.046   9.5655 -31.22590 16.30209 
1 1 1  -28   15   51 o   68.145   8.5736   34.600   7.6714   35.496   10.293   33.481   11.506   70.110   10.834   66.179   13.291 3.930695 17.14713 
1 1 1  -28   15   52 o   83.232   8.1985   49.317   8.1784   24.753   10.581   85.763   12.889   56.323   13.939  110.141   8.6355 -53.81849 16.39709 
1 1 1  -28   15   53 o  100.190   10.153   72.242   13.785   0.0000   0.0000   72.242   13.785  ?   ?   100.190   10.153      ?      ? 
1 1 1  -28   15   54 o   57.495   13.796   25.896   10.612   0.0000   0.0000   25.896   10.612  ?   ?    57.495   13.796      ?      ? 
1 1 1  -28   15   55 o   97.379   8.3407   72.451   10.517   55.832   15.955   85.222   13.987   85.713   13.736  109.046   9.4650 -23.33367 16.68142 
1 1 1  -28   15   56 o   36.653   10.242   7.5601   7.6338   3.1803   12.152   10.415   9.8113   34.509   14.724   38.797   14.240 -4.287868 20.48308 
1 1 1  -28   15   57 o   86.226   9.5790   61.548   9.9685   35.139   14.881   83.048   13.426   64.824   16.801  107.628   9.2056 -42.80392 19.15796 
1 1 1  -28   15   58 o   33.440   9.8963   3.8468   7.6374  -0.8227   12.013   7.0149   9.8947   31.597   14.032   35.284   13.959 -3.686907 19.79268 
1 1 1  -28   15   59 o   40.010   15.605   10.452   12.213   10.452   12.213   0.0000   0.0000   40.010   15.605  ?   ?       ?      ? 
1 1 1  -28   15   60 o   49.650   11.245   19.227   8.6513   27.525   13.445   13.363   11.302   57.089   16.469   42.210   15.315 14.87909 22.48914 
1 1 1  -28   15   61 o   57.731   11.186   28.098   9.0271   25.683   13.645   29.978   12.038   54.876   16.786   60.586   14.791 -5.710228 22.37276 
1 1 1  -28   15   62 f   54.526   10.354   25.236   8.8410   9.7893   13.217   37.745   11.894   39.760   15.998   69.291   13.147 -29.53080 20.70722 
1 1 1  -28   15   63 o   43.502   10.278   13.288   8.4469  -1.2351   12.497   25.504   11.461   31.543   14.139   55.462   14.923 -23.91880 20.55687 
1 1 1  -28   15   64 o   35.438   10.361   5.5729   8.3180   0.4747   11.955   10.357   11.581   31.872   14.083   39.005   15.200 -7.132826 20.72186 
1 1 1  -28   15   65 o   37.259   10.721   7.8204   8.6153   4.1759   12.240   11.399   12.129   34.462   14.742   40.055   15.571 -5.593472 21.44216 
1 1 1  -28   15   66 o   35.870   14.967   6.4964   12.111   0.0000   0.0000   6.4964   12.111  ?   ?    35.870   14.967      ?      ? 
1 1 1  -28   15   67 o   24.472   11.741 -11.9662   11.241   0.0000   0.0000 -11.9662   11.241  ?   ?    24.472   11.741      ?      ? 
1 1 1  -28   15   70 o   35.839   15.213   6.9322   12.855   0.0000   0.0000   6.9322   12.855  ?   ?    35.839   15.213      ?      ? 
1 1 1  -28   16    1 o  131.840   7.1345  117.725   10.623  114.376   11.999  129.869   22.847  128.867   6.8709  134.813   12.506 -5.946365 14.26901 
1 1 1  -28   16    2 o   63.840   7.2167   28.699   5.7571   28.076   7.0648   29.931   9.9329   63.643   8.1915   64.037   11.884 -0.3937683 14.43349 
1 1 1  -28   16    3 o  154.649   4.8843  154.526   9.5050  139.217   11.265  192.365   17.710  142.524   5.8325  166.774   7.8363 -24.25005 9.768625 
1 1 1  -28   16    4 o   32.334   8.2920   5.9776   4.9600   9.4301   6.4527   0.9918   7.7543   36.624   11.597   28.044   11.855 8.580027 16.58409 
1 1 1  -28   16    5 o  131.209   5.2981  122.488   8.7301  129.652   10.714  108.333   15.060  137.585   5.7462  124.832   8.9028 12.75325 10.59619 
1 1 1  -28   16    6 o  120.725   5.1962   97.819   8.0243   92.757   9.7340  108.554   14.175  116.286   6.1771  125.164   8.3574 -8.878731 10.39243 
1 1 1  -28   16    7 f   82.424   6.2745   49.456   6.5659   55.426   8.3114   39.545   10.709   89.774   6.8319   75.073   10.526 14.70176 12.54906 
1 1 1  -28   16    8 o  126.571   5.7099  109.097   9.7151   97.051   12.800  125.465   14.921  118.489   7.9716  134.652   8.1772 -16.16337 11.41988 
1 1 1  -28   16    9 f   54.516   8.0112   22.253   5.6906   25.638   7.3573   17.213   8.9780   60.752   8.9368   48.281   13.299 12.47105 16.02241 
1 1 1  -28   16   10 o  104.132   5.5593   75.118   7.5005   75.677   9.3557   74.112   12.548  104.973   6.5768  103.291   8.9648 1.682457 11.11858 
1 1 1  -28   16   11 o   86.660   5.8362   50.562   6.6668   46.320   8.3635   57.957   11.042   81.959   7.5302   91.360   8.9185 -9.400459 11.67233 
1 1 1  -28   16   12 o  112.999   5.4828   88.951   8.0029   90.979   9.9884   85.315   13.375  115.145   6.4013  110.854   8.9032 4.291496 10.96556 
1 1 1  -28   16   13 o  117.330   6.3533   94.445   10.102   94.445   10.102   0.0000   0.0000  117.330   6.3533  ?   ?       ?      ? 
1 1 1  -28   16   14 o   65.277   8.8677   29.576   7.8443   29.576   7.8443   0.0000   0.0000   65.277   8.8677  ?   ?       ?      ? 
1 1 1  -28   16   15 o  105.616   5.4682   72.930   7.5804   61.505   9.3963   94.228   12.829   94.489   7.3383  116.743   8.1090 -22.25391 10.93649 
1 1 1  -28   16   16 o  122.373   5.4469  104.010   8.5345  105.468   10.525  101.212   14.584  124.009   6.2631  120.737   8.9133 3.271599 10.89374 
1 1 1  -28   16   17 o   86.607   6.2288   51.039   7.0630   48.302   8.8098   55.964   11.817   83.647   7.7720   89.567   9.7360 -5.919815 12.45763 
1 1 1  -28   16   18 o  113.293   5.6316   89.066   8.1891   89.885   10.112   87.506   13.958  114.417   6.5220  112.169   9.1828 2.247322 11.26323 
1 1 1  -28   16   19 o   60.619   7.8147   26.213   6.1072   24.428   7.9351   28.806   9.5654   58.253   10.435   62.985   11.636 -4.731388 15.62939 
1 1 1  -28   16   20 o  116.534   5.4517   91.467   8.2824   85.821   10.253  102.073   14.052  111.732   6.7713  121.336   8.5460 -9.604393 10.90344 
1 1 1  -28   16   21 o   82.470   6.5044   47.777   7.0025   49.111   8.8731   45.575   11.402   84.323   7.7651   80.616   10.437 3.707329 13.00871 
1 1 1  -28   16   22 o  123.485   6.0977  104.998   10.165   95.296   13.700  116.880   15.160  117.187   8.6270  129.784   8.6200 -12.59670 12.19546 
1 1 1  -28   16   23 o  142.598   5.9018  141.216   11.318  143.440   15.180  138.432   16.984  144.076   7.7748  141.120   8.8814 2.955444 11.80369 
1 1 1  -28   16   24 o   51.706   8.7032   19.029   5.9912   14.801   7.7852   25.169   9.3822   44.879   12.393   58.532   12.223 -13.65240 17.40634 
1 1 1  -28   16   25 o  153.395   5.2526  161.090   10.328  158.388   12.652  166.485   17.881  151.926   6.1455  154.864   8.5202 -2.937759 10.50527 
1 1 1  -28   16   26 o   61.926   7.9353   26.794   6.4537   22.860   8.3700   32.563   10.135   55.927   11.430   67.925   11.011 -11.99839 15.87063 
1 1 1  -28   16   27 o  134.066   5.4012  120.774   9.4319  112.343   11.646  136.841   16.078  127.759   6.7269  140.372   8.4524 -12.61263 10.80250 
1 1 1  -28   16   28 o   77.191   8.5996   41.435   8.9956   41.435   8.9956   0.0000   0.0000   77.191   8.5996  ?   ?       ?      ? 
1 1 1  -28   16   29 o  158.406   5.4780  176.182   11.012  181.158   13.519  166.370   18.983  162.404   6.1426  154.407   9.0721 7.996994 10.95599 
1 1 1  -28   16   30 o   37.646   9.2912   9.4462   5.8627   10.957   7.7503   7.4257   8.9638   39.346   12.736   35.946   13.531 3.400402 18.58241 
1 1 1  -28   16   31 o   76.386   6.7268   39.607   6.8023   35.257   8.5795   46.969   11.162   71.073   8.9079   81.699   10.082 -10.62531 13.45365 
1 1 1  -28   16   32 o   54.708   9.3014   22.637   6.8380   25.506   9.3498   19.338   10.026   58.746   12.146   50.671   14.091 8.074814 18.60289 
1 1 1  -28   16   33 o   63.266   8.7647   29.485   7.2176   28.281   9.7159   30.968   10.781   61.947   12.008   64.586   12.771 -2.638962 17.52936 
1 1 1  -28   16   34 o   78.894   7.3335   44.548   7.7347   50.023   10.620   38.361   11.288   84.451   9.2795   73.337   11.358 11.11416 14.66692 
1 1 1  -28   16   35 o   56.373   8.8472   23.949   7.0273   36.216   9.9290   11.637   9.9472   71.553   10.240   41.194   14.430 30.35859 17.69448 
1 1 1  -28   16   36 o   64.299   8.3650   29.828   7.0897   24.409   9.5660   36.432   10.560   57.080   12.695   71.518   10.896 -14.43765 16.73002 
1 1 1  -28   16   37 o   83.348   8.5484   48.876   9.4447   56.206   15.378   44.436   11.968   87.881   12.913   78.814   11.205 9.066887 17.09678 
1 1 1  -28   16   38 o   76.729   7.5767   42.113   7.8330   43.424   10.643   40.564   11.569   78.272   10.034   75.187   11.355 3.084702 15.15339 
1 1 1  -28   16   39 o   48.209   9.5065   17.202   6.8358   9.4978   9.5032   25.462   9.8403   38.321   14.022   58.098   12.840 -19.77689 19.01302 
1 1 1  -28   16   40 o   68.597   8.6423   35.528   7.6702   42.711   10.516   27.362   11.212   77.525   10.010   59.670   14.091 17.85454 17.28462 
1 1 1  -28   16   41 o   87.564   7.0713   53.965   8.3401   49.091   11.077   60.344   12.673   83.119   9.8342   92.009   10.164 -8.889877 14.14258 
1 1 1  -28   16   42 o  124.558   6.2643  106.877   10.390   96.560   13.284  123.132   16.674  117.264   8.3596  131.852   9.3318 -14.58746 12.52858 
1 1 1  -28   16   43 o   64.046   12.095   30.742   10.113   30.742   10.113   0.0000   0.0000   64.046   12.095  ?   ?       ?      ? 
1 1 1  -28   16   44 o  120.674   6.2148   99.555   9.9905   84.389   12.792  123.272   15.997  109.363   8.6315  131.985   8.9438 -22.62253 12.42955 
1 1 1  -28   16   45 o   57.449   9.4684   24.689   7.3393   16.875   9.7027   35.139   11.221   46.749   14.124   68.150   12.614 -21.40099 18.93678 
1 1 1  -28   16   46 o   86.600   7.2403   53.075   8.4074   48.102   10.963   60.174   13.100   81.934   9.8739   91.266   10.592 -9.332253 14.48053 
1 1 1  -28   16   47 o   37.099   9.2884   6.3004   7.4366 -12.0963   11.900   18.089   9.5259   26.035   12.377   48.162   13.853 -22.12757 18.57688 
1 1 1  -28   16   48 f   41.656   10.535   10.379   7.6490   20.303   12.487   4.4191   9.6772   50.348   16.153   32.964   13.530 17.38455 21.07075 
1 1 1  -28   16   49 o   29.993   9.2672   0.0983   7.1271  -4.1544   11.602   2.6759   9.0325   29.343   13.342   30.642   12.865 -1.299599 18.53436 
1 1 1  -28   16   50 o   43.108   9.5862   13.156   7.6630  -2.8647   11.950   24.346   9.9868   30.461   13.725   55.756   13.387 -25.29519 19.17248 
1 1 1  -28   16   51 f   98.530   10.338   70.549   13.803   0.0000   0.0000   70.549   13.803  ?   ?    98.530   10.338      ?      ? 
1 1 1  -28   16   52 o   40.872   14.522   12.303   10.103   0.0000   0.0000   12.303   10.103  ?   ?    40.872   14.522      ?      ? 
1 1 1  -28   16   53 o   64.328   10.843   33.745   9.1850   33.595   14.584   33.843   11.825   63.168   16.760   65.487   13.762 -2.318874 21.68632 
1 1 1  -28   16   54 o   62.367   11.001   32.156   9.1939   31.079   14.301   32.915   12.003   60.544   16.826   64.191   14.177 -3.647167 22.00208 
1 1 1  -28   16   55 f   49.490   9.3988   18.690   8.4479  -3.9995   12.801   36.198   11.245   30.596   13.951   68.384   12.598 -37.78815 18.79765 
1 1 1  -28   16   56 o   29.006   9.1166  -2.3294   7.5520 -11.8535   12.094   3.7575   9.6687   26.051   12.411   31.961   13.357 -5.910118 18.23323 
1 1 1  -28   16   57 o   56.263   16.754   27.172   13.727   27.172   13.727   0.0000   0.0000   56.263   16.754  ?   ?       ?      ? 
1 1 1  -28   16   58 o   46.730   11.389   17.839   8.6537   18.263   13.602   17.550   11.217   47.123   16.838   46.338   15.340 0.7850494 22.77815 
1 1 1  -28   16   59 o   69.672   10.584   40.364   9.8528   33.157   14.597   46.395   13.353   61.671   16.945   77.672   12.687 -16.00111 21.16778 
1 1 1  -28   16   60 o   59.280   10.121   29.307   9.4851   9.3226   13.598   48.247   13.237   39.241   16.064   79.319   12.315 -40.07838 20.24186 
1 1 1  -28   16   61 o   26.911   8.9060  -7.3663   8.1272 -11.2933   12.482  -4.4767   10.708   26.480   12.613   27.343   12.577 -0.8634911 17.81209 
1 1 1  -28   16   62 o   89.323   10.578   68.054   11.756   36.916   16.484  100.278   16.769   63.065   18.248  115.581   10.706 -52.51614 21.15664 
1 1 1  -28   16   63 o   34.535   10.407   4.4976   8.7418  -0.3111   12.752   8.7604   12.007   31.777   14.260   37.294   15.162 -5.516680 20.81426 
1 1 1  -28   16   64 o   84.658   13.313   57.435   15.273   0.0000   0.0000   57.435   15.273  ?   ?    84.658   13.313      ?      ? 
1 1 1  -28   16   65 o   38.496   15.676   10.255   12.863   0.0000   0.0000   10.255   12.863  ?   ?    38.496   15.676      ?      ? 
1 1 1  -28   16   66 o   64.359   16.682   38.173   14.669   0.0000   0.0000   38.173   14.669  ?   ?    64.359   16.682      ?      ? 
1 1 1  -28   16   67 o   45.434   16.742   19.111   13.582   0.0000   0.0000   19.111   13.582  ?   ?    45.434   16.742      ?      ? 
1 1 1  -28   16   68 o   56.085   17.170   30.888   14.273   0.0000   0.0000   30.888   14.273  ?   ?    56.085   17.170      ?      ? 
1 1 1  -28   17    1 o   78.375   7.2079   45.226   7.3216   36.595   11.412   51.263   9.5449   71.144   11.837   85.606   8.2278 -14.46118 14.41571 
1 1 1  -28   17    2 o   36.280   8.8563   8.9843   5.4459   11.631   7.0698   5.1219   8.5403   39.780   12.065   32.780   12.969 6.999443 17.71267 
1 1 1  -28   17    3 f   58.375   8.0921   22.226   6.2100   11.537   7.7108   41.956   10.476   39.844   12.684   76.906   10.052 -37.06271 16.18418 
1 1 1  -28   17    4 o   95.164   6.1091   58.974   7.5787   42.906   9.4481   87.968   12.691   78.163   8.9199  112.164   8.3498 -34.00105 12.21816 
1 1 1  -28   17    5 o  123.245   5.7155  103.863   9.2466   97.909   11.572  114.381   15.379  118.827   7.1862  127.663   8.8898 -8.835754 11.43105 
1 1 1  -28   17    6 o   37.929   9.4971   8.8462   6.7853  -0.8511   10.811   15.149   8.7157   30.858   13.522   45.000   13.339 -14.14238 18.99428 
1 1 1  -28   17    7 o   74.384   7.0327   38.331   7.0098   33.769   9.1229   44.907   10.953   69.157   9.7345   79.610   10.153 -10.45318 14.06545 
1 1 1  -28   17    8 f   81.408   6.5433   46.342   7.1677   44.548   9.5142   48.697   10.900   79.735   8.8052   83.080   9.6814 -3.344536 13.08665 
1 1 1  -28   17    9 o   69.190   8.1093   37.562   6.9020   50.196   9.2670   21.823   10.343   84.876   8.0570   53.504   14.076 31.37171 16.21865 
1 1 1  -28   17   10 o   61.832   8.1954   28.058   6.6361   29.440   8.8329   26.267   10.055   64.501   10.105   59.164   12.905 5.337761 16.39071 
1 1 1  -28   17   11 o   31.907   12.496   4.9699   7.8558   4.9699   7.8558   0.0000   0.0000   31.907   12.496  ?   ?       ?      ? 
1 1 1  -28   17   12 o   83.849   8.7974   49.227   9.9962   49.227   9.9962   0.0000   0.0000   83.849   8.7974  ?   ?       ?      ? 
1 1 1  -28   17   13 o   53.822   8.8115   21.857   6.3538   26.295   8.8960   17.236   9.0780   59.795   11.395   47.849   13.444 11.94598 17.62309 
1 1 1  -28   17   14 o  113.280   5.8930   87.189   8.9253   74.324   11.558  106.191   14.047  103.230   8.2624  123.330   8.4049 -20.10012 11.78599 
1 1 1  -28   17   15 o   41.892   8.9578   12.109   6.2556   20.633   8.6292   2.6670   9.0815   52.527   12.334   31.256   12.994 21.27038 17.91554 
1 1 1  -28   17   16 o   91.416   6.5525   58.749   8.0544   58.977   10.765   58.459   12.140   91.827   8.6507   91.005   9.8441 0.8221588 13.10501 
1 1 1  -28   17   17 o   37.689   9.4752   9.2485   6.2154   12.124   8.4981   5.9413   9.1140   41.018   13.341   34.360   13.458 6.657940 18.95039 
1 1 1  -28   17   18 o   52.155   9.3194   21.008   6.6989   25.295   8.9725   15.609   10.070   58.479   11.730   45.830   14.485 12.64832 18.63872 
1 1 1  -28   17   19 o   62.452   8.3439   27.837   6.8701   23.434   9.0163   33.933   10.608   56.054   12.215   68.850   11.370 -12.79541 16.68780 
1 1 1  -28   17   20 o   80.040   9.5272   50.842   9.4016   33.908   14.631   62.753   12.270   65.736   16.461   94.343   9.5975 -28.60730 19.05441 
1 1 1  -28   17   21 o   83.213   7.0069   47.825   7.8068   39.974   10.215   58.850   12.105   75.149   10.031   91.277   9.7861 -16.12732 14.01379 
1 1 1  -28   17   22 o   48.050   8.7952   15.657   6.5644   4.1570   8.7876   30.177   9.8739   32.190   13.012   63.910   11.837 -31.71975 17.59038 
1 1 1  -28   17   23 o  124.404   5.9338  106.311   9.8672   97.383   12.751  119.636   15.578  118.201   7.9605  130.607   8.8018 -12.40591 11.86768 
1 1 1  -28   17   24 o   90.879   6.7661   56.415   8.1527   42.875   10.600   76.029   12.757   77.764   10.058  103.993   9.0527 -26.22864 13.53217 
1 1 1  -28   17   25 o   61.678   8.8363   28.717   7.1809   32.944   9.6676   23.515   10.725   68.012   10.489   55.345   14.223 12.66669 17.67262 
1 1 1  -28   17   26 o   31.638   12.895   3.7384   8.7140   3.7384   8.7140   0.0000   0.0000   31.638   12.895  ?   ?       ?      ? 
1 1 1  -28   17   27 o   89.677   6.6840   55.406   8.0209   46.999   10.430   67.576   12.549   81.565   9.4358   97.790   9.4694 -16.22466 13.36801 
1 1 1  -28   17   28 o   56.924   9.0905   23.994   6.8808   17.972   9.1694   31.755   10.410   48.581   13.463   65.268   12.219 -16.68638 18.18095 
1 1 1  -28   17   29 o   58.401   8.9599   26.051   7.0558   32.802   9.7056   18.485   10.275   67.726   10.575   49.076   14.467 18.64992 17.91982 
1 1 1  -28   17   30 o   60.187   8.7974   26.935   7.0802   19.179   9.7580   35.559   10.289   49.970   13.902   70.405   10.784 -20.43492 17.59477 
1 1 1  -28   17   31 o   50.566   9.5142   19.799   6.8954   26.095   9.5442   12.926   9.9732   58.859   12.359   42.273   14.468 16.58566 19.02834 
1 1 1  -28   17   32 o   62.049   8.9494   28.941   7.2421   27.400   9.7390   30.847   10.832   60.319   12.331   63.779   12.974 -3.460144 17.89885 
1 1 1  -28   17   33 o   66.113   8.4234   31.685   7.3335   26.855   9.6756   38.205   11.242   59.639   12.377   72.588   11.429 -12.94950 16.84673 
1 1 1  -28   17   34 o   89.504   7.0267   57.149   8.4299   56.737   11.129   57.703   12.913   89.463   9.1793   89.544   10.641 -0.8071899E-01 14.05347 
1 1 1  -28   17   35 o   62.240   10.701   28.322   8.8867   43.204   14.712   19.773   11.151   74.254   15.134   50.226   15.133 24.02802 21.40253 
1 1 1  -28   17   36 f   74.361   8.0261   39.717   7.7993   32.035   10.266   50.204   11.995   65.291   12.047   83.431   10.609 -18.13942 16.05220 
1 1 1  -28   17   37 o   52.772   9.5929   21.704   6.8776   22.372   9.1962   20.855   10.360   53.984   12.771   51.561   14.318 2.422977 19.18576 
1 1 1  -28   17   38 o   40.056   10.541   10.788   7.5858   10.281   11.842   11.141   9.8786   40.229   15.454   39.882   14.340 0.3467751 21.08226 
1 1 1  -28   17   39 o   93.940   8.2855   65.695   10.352   57.807   15.494   72.056   13.914   87.932   13.003   99.949   10.273 -12.01693 16.57093 
1 1 1  -28   17   40 o   75.618   9.9348   44.294   9.8911   37.132   14.003   51.426   13.974   68.019   15.533   83.217   12.391 -15.19821 19.86968 
1 1 1  -28   17   41 o   97.095   12.069   69.817   15.880   69.817   15.880   0.0000   0.0000   97.095   12.069  ?   ?       ?      ? 
1 1 1  -28   17   42 o   58.277   9.7633   27.481   8.6679   9.7093   12.683   43.057   11.874   40.042   15.816   76.511   11.452 -36.46810 19.52668 
1 1 1  -28   17   43 f   42.423   10.147   12.732   7.8379   1.5144   11.886   21.361   10.426   33.079   14.341   51.767   14.359 -18.68781 20.29410 
1 1 1  -28   17   44 o   72.014   9.7135   40.479   9.1401   37.837   13.968   42.458   12.087   68.366   15.441   75.662   11.789 -7.295906 19.42697 
1 1 1  -28   17   45 o   46.303   10.990   16.634   7.9979   18.933   12.743   15.139   10.273   48.476   16.355   44.130   14.684 4.345974 21.98001 
1 1 1  -28   17   46 o   46.359   9.9958   11.460   8.0476   33.384   13.124  -1.7502   10.188   63.999   15.334   28.720   12.827 35.27935 19.99162 
1 1 1  -28   17   47 o   42.976   9.4375   12.241   8.0090  -8.6230   12.595   26.406   10.377   28.184   13.192   57.768   13.499 -29.58378 18.87498 
1 1 1  -28   17   48 f   38.497   10.658   9.3989   7.9729   8.4794   12.854   9.9738   10.164   38.738   15.710   38.257   14.407 0.4810944 21.31575 
1 1 1  -28   17   49 o   58.679   14.204   27.753   11.173   0.0000   0.0000   27.753   11.173  ?   ?    58.679   14.204      ?      ? 
1 1 1  -28   17   50 o   49.742   14.940   20.265   10.880   0.0000   0.0000   20.265   10.880  ?   ?    49.742   14.940      ?      ? 
1 1 1  -28   17   51 o   56.721   9.5730   26.987   8.6770   6.3913   13.012   43.479   11.644   37.059   15.493   76.382   11.249 -39.32280 19.14593 
1 1 1  -28   17   52 o   38.271   10.378   9.7041   7.8102   4.1105   12.102   13.696   10.224   34.566   14.719   41.976   14.634 -7.410255 20.75611 
1 1 1  -28   17   53 o   45.156   9.5723   15.027   7.9989  -2.9223   12.077   29.053   10.676   30.076   13.651   60.235   13.422 -30.15911 19.14467 
1 1 1  -28   17   54 o   66.633   10.883   37.276   9.5985   35.956   14.366   38.340   12.900   64.669   16.376   68.596   14.339 -3.926819 21.76690 
1 1 1  -28   17   55 o   34.110   14.686   3.6124   12.293   3.6124   12.293   0.0000   0.0000   34.110   14.686  ?   ?       ?      ? 
1 1 1  -28   17   56 f   24.938   8.3933 -11.3769   7.9556 -18.7640   11.898  -5.4042   10.699   23.066   11.297   26.810   12.417 -3.744066 16.78659 
1 1 1  -28   17   57 o   36.662   10.649   6.3873   8.7322   13.802   12.891   0.1010   11.870   42.107   16.137   31.217   13.901 10.89004 21.29871 
1 1 1  -28   17   58 o   82.837   10.120   56.834   10.898   46.587   15.648   66.487   15.188   73.103   16.220   92.570   12.107 -19.46721 20.23995 
1 1 1  -28   17   59 o   48.906   11.769   21.528   9.3367   20.860   13.573   22.128   12.863   48.168   16.858   49.645   16.427 -1.477165 23.53778 
1 1 1  -28   17   60 o   41.185   10.013   9.1910   8.8735 -11.8657   12.973   27.703   12.164   26.449   12.669   55.921   15.509 -29.47205 20.02615 
1 1 1  -28   17   61 o   55.018   11.170   27.438   9.8218   12.866   13.918   41.893   13.862   40.680   16.400   69.357   15.171 -28.67750 22.34065 
1 1 1  -28   17   62 o   57.907   16.482   31.316   13.553   0.0000   0.0000   31.316   13.553  ?   ?    57.907   16.482      ?      ? 
1 1 1  -28   17   63 o   64.186   16.091   38.014   13.969   0.0000   0.0000   38.014   13.969  ?   ?    64.186   16.091      ?      ? 
1 1 1  -28   17   64 o   28.720   13.298  -3.2756   12.263   0.0000   0.0000  -3.2756   12.263  ?   ?    28.720   13.298      ?      ? 
1 1 1  -28   17   65 o   31.555   14.094   2.3814   12.301   0.0000   0.0000   2.3814   12.301  ?   ?    31.555   14.094      ?      ? 
1 1 1  -28   17   66 o   49.155   16.743   24.726   13.355   0.0000   0.0000   24.726   13.355  ?   ?    49.155   16.743      ?      ? 
1 1 1  -28   18    7 o   44.519   10.054   15.032   7.1143   9.6479   10.363   19.833   9.7847   38.634   14.547   50.404   13.883 -11.77079 20.10873 
1 1 1  -28   18    8 o   34.709   9.2612   4.8238   6.7644  -4.9371   9.7218   13.984   9.4181   26.364   12.073   43.055   14.047 -16.69076 18.52246 
1 1 1  -28   18    9 o   37.531   14.122   8.9693   9.7621   8.9693   9.7621   0.0000   0.0000   37.531   14.122  ?   ?       ?      ? 
1 1 1  -28   18   10 o   50.155   9.9692   19.636   7.0547   19.969   10.154   19.324   9.8083   50.519   14.227   49.790   13.969 0.7293510 19.93833 
1 1 1  -28   18   11 o   43.567   9.5249   14.312   6.1228   13.657   7.9743   15.254   9.5568   42.461   12.799   44.674   14.110 -2.213291 19.04984 
1 1 1  -28   18   12 f   49.676   9.3303   19.515   6.4899   22.943   8.5408   14.831   9.9834   55.122   11.790   44.229   14.464 10.89352 18.66059 
1 1 1  -28   18   13 o   87.020   6.7005   52.683   7.8006   45.791   10.103   62.857   12.275   80.225   9.2928   93.815   9.6556 -13.59013 13.40097 
1 1 1  -28   18   14 o   85.358   6.9127   51.279   7.8440   48.062   10.035   56.333   12.576   82.314   8.9962   88.403   10.498 -6.088989 13.82544 
1 1 1  -28   18   15 o   91.992   6.7396   58.465   8.2140   51.865   10.375   69.550   13.446   85.527   8.9516   98.458   10.077 -12.93080 13.47912 
1 1 1  -28   18   16 o   36.299   9.5478   7.9713   6.2656   5.4797   8.2525   11.362   9.6274   32.530   12.787   40.068   14.182 -7.538029 19.09560 
1 1 1  -28   18   17 o   50.982   9.6043   20.663   7.7647   5.8333   11.675   32.424   10.397   36.354   14.884   65.609   12.142 -29.25532 19.20851 
1 1 1  -28   18   18 o   43.676   14.562   14.354   10.101   0.0000   0.0000   14.354   10.101  ?   ?    43.676   14.562      ?      ? 
1 1 1  -28   18   19 o   31.088   8.7327  -0.9648   6.7761 -16.0493   9.9836   11.920   9.2269   21.672   10.556   40.505   13.914 -18.83267 17.46542 
1 1 1  -28   18   20 o   37.261   9.7942   6.8505   6.9943   15.832   10.709   0.1695   9.2363   45.487   14.986   29.035   12.615 16.45250 19.58837 
1 1 1  -28   18   21 o   28.726   8.9633  -2.1323   6.8526   2.8863   10.448  -5.9213   9.0781   32.675   13.784   24.778   11.462 7.897264 17.92661 
1 1 1  -28   18   22 o   46.723   10.636   16.957   7.6319   16.102   11.635   17.602   10.111   45.925   15.627   47.521   14.432 -1.596115 21.27174 
1 1 1  -28   18   23 o   43.852   15.495   14.201   11.486   14.201   11.486   0.0000   0.0000   43.852   15.495  ?   ?       ?      ? 
1 1 1  -28   18   24 o   70.383   14.084   38.532   12.965   38.532   12.965   0.0000   0.0000   70.383   14.084  ?   ?       ?      ? 
1 1 1  -28   18   25 o   51.042   10.573   20.849   7.8886   17.051   11.693   24.021   10.687   46.871   15.668   55.213   14.202 -8.342094 21.14685 
1 1 1  -28   18   26 o   38.618   9.9467   9.5090   7.2531   1.9817   10.924   15.444   9.6999   32.467   13.909   44.768   14.223 -12.30145 19.89349 
1 1 1  -28   18   27 o   49.827   9.8264   19.559   7.6226   8.2298   11.170   29.433   10.428   37.765   14.866   61.890   12.854 -24.12439 19.65271 
1 1 1  -28   18   28 o   38.703   10.313   9.2882   7.3166   13.195   11.411   6.5606   9.5344   42.638   15.401   34.768   13.719 7.869587 20.62567 
1 1 1  -28   18   29 o   31.530   9.5481   1.8426   7.1974   2.2020   11.097   1.5816   9.4561   32.761   14.026   30.298   12.959 2.462959 19.09628 
1 1 1  -28   18   30 o   40.408   10.409   11.040   7.3341   14.787   11.439   8.4233   9.5572   44.219   15.475   36.597   13.925 7.622177 20.81831 
1 1 1  -28   18   31 f   57.699   10.448   27.184   8.2387   22.853   12.735   30.301   10.804   52.892   16.223   62.505   13.171 -9.613537 20.89627 
1 1 1  -28   18   32 o   44.511   10.303   15.459   7.7156   6.6708   12.240   21.253   9.9390   37.186   15.234   51.837   13.875 -14.65116 20.60554 
1 1 1  -28   18   33 o   37.381   14.087   9.1565   9.7215   0.0000   0.0000   9.1565   9.7215  ?   ?    37.381   14.087      ?      ? 
1 1 1  -28   18   34 o   54.410   10.708   24.039   8.1742   23.397   12.149   24.570   11.049   53.488   15.720   55.332   14.544 -1.844700 21.41632 
1 1 1  -28   18   35 o   82.413   8.7251   51.737   9.3913   45.927   13.754   56.811   12.854   76.723   13.733   88.103   10.767 -11.38058 17.45017 
1 1 1  -28   18   36 o   50.942   10.473   21.274   7.9959   14.148   11.930   27.086   10.774   43.441   15.739   58.443   13.821 -15.00227 20.94572 
1 1 1  -28   18   37 o   49.256   10.645   18.762   7.8928   26.358   12.073   13.093   10.430   56.728   15.337   41.785   14.765 14.94326 21.28959 
1 1 1  -28   18   38 o   64.593   15.392   34.121   13.282   34.121   13.282   0.0000   0.0000   64.593   15.392  ?   ?       ?      ? 
1 1 1  -28   18   39 o   37.826   15.252   8.0547   12.040   8.0547   12.040   0.0000   0.0000   37.826   15.252  ?   ?       ?      ? 
1 1 1  -28   18   40 o   50.554   11.113   21.169   8.5650   16.911   12.519   24.916   11.744   46.088   16.186   55.019   15.232 -8.931168 22.22621 
1 1 1  -28   18   41 f   26.545   8.6561  -5.2705   7.2129  -6.4188   10.821  -4.3525   9.6755   26.797   12.438   26.293   12.042 0.5044518 17.31223 
1 1 1  -28   18   42 o   51.619   10.756   20.750   8.3095   31.494   12.799   12.921   10.925   61.722   15.363   41.515   15.058 20.20718 21.51185 
1 1 1  -28   18   43 o   44.982   10.875   16.303   8.0804   12.743   12.560   18.816   10.555   41.930   15.962   48.034   14.775 -6.103813 21.75016 
1 1 1  -28   18   44 o   44.782   11.064   16.076   8.2837   14.255   12.710   17.421   10.922   43.285   16.148   46.279   15.128 -2.993511 22.12723 
1 1 1  -28   18   45 o   83.998   9.6483   56.797   10.345   44.972   15.367   66.599   13.990   73.339   15.919   94.657   10.907 -21.31789 19.29658 
1 1 1  -28   18   46 o   82.409   9.4927   53.855   10.119   49.479   15.434   57.154   13.402   77.526   15.235   87.291   11.329 -9.764778 18.98541 
1 1 1  -28   18   47 o   42.133   15.332   13.782   11.340   0.0000   0.0000   13.782   11.340  ?   ?    42.133   15.332      ?      ? 
1 1 1  -28   18   48 o   66.702   10.425   39.899   9.9192   18.287   15.085   56.361   13.166   46.861   17.570   86.543   11.226 -39.68189 20.85035 
1 1 1  -28   18   49 o   35.795   10.173   6.2039   8.2190  -3.9074   12.637   13.617   10.820   29.986   13.744   41.604   15.002 -11.61782 20.34607 
1 1 1  -28   18   50 o   41.203   10.492   12.423   8.2946   2.0597   12.443   20.711   11.128   33.067   14.498   49.339   15.170 -16.27277 20.98377 
1 1 1  -28   18   51 o   36.751   10.031   7.6289   7.9174  -3.1756   11.892   16.232   10.611   29.345   13.406   44.158   14.925 -14.81362 20.06183 
1 1 1  -28   18   52 o   21.626   10.611 -17.5083   10.649 -17.5083   10.649   0.0000   0.0000   21.626   10.611  ?   ?       ?      ? 
1 1 1  -28   18   53 o   48.883   16.753   21.555   13.371   21.555   13.371   0.0000   0.0000   48.883   16.753  ?   ?       ?      ? 
1 1 1  -28   18   54 o   41.619   11.190   13.679   8.5863   17.383   13.585   11.215   11.080   44.675   16.689   38.562   14.912 6.112400 22.38061 
1 1 1  -28   18   55 o   36.756   10.383   7.7144   8.5307  -2.3407   12.547   16.358   11.633   30.043   13.743   43.469   15.568 -13.42690 20.76601 
1 1 1  -28   18   56 o   50.077   11.711   22.566   9.5207   32.181   14.326   14.961   12.741   58.217   17.059   41.938   16.050 16.27924 23.42243 
1 1 1  -28   18   57 o   33.085   10.266   3.6392   8.8236   4.5577   12.879   2.8266   12.113   33.929   14.816   32.241   14.215 1.687382 20.53261 
1 1 1  -28   18   58 o   52.048   11.602   26.089   9.9293   14.851   14.282   36.600   13.814   41.449   16.647   62.647   16.164 -21.19789 23.20310 
1 1 1  -28   18   59 o   50.336   11.662   23.732   9.6776   35.759   14.487   14.040   13.005   60.389   16.989   40.283   15.982 20.10639 23.32488 
1 1 1  -28   18   60 o   41.032   16.068   15.380   12.989   0.0000   0.0000   15.380   12.989  ?   ?    41.032   16.068      ?      ? 
1 1 1  -28   18   61 f   41.092   16.151   15.928   13.165   0.0000   0.0000   15.928   13.165  ?   ?    41.092   16.151      ?      ? 
1 1 1  -28   18   62 o   58.371   16.828   34.978   14.042   0.0000   0.0000   34.978   14.042  ?   ?    58.371   16.828      ?      ? 
1 1 1  -28   18   63 o   44.424   16.662   21.059   13.568   0.0000   0.0000   21.059   13.568  ?   ?    44.424   16.662      ?      ? 
1 1 1  -28   19   14 f   87.971   8.5791   58.461   9.7102   43.786   13.412   74.629   14.077   74.732   13.750  101.210   10.264 -26.47832 17.15827 
1 1 1  -28   19   15 o   36.110   14.137   7.7815   10.052   0.0000   0.0000   7.7815   10.052  ?   ?    36.110   14.137      ?      ? 
1 1 1  -28   19   16 o   35.505   14.020   7.2201   9.9642   0.0000   0.0000   7.2201   9.9642  ?   ?    35.505   14.020      ?      ? 
1 1 1  -28   19   17 o   45.392   10.513   16.299   7.4587   15.889   10.760   16.678   10.349   44.943   15.029   45.840   14.705 -0.8963890 21.02663 
1 1 1  -28   19   18 o   44.438   10.233   15.171   7.6146   7.0801   11.211   22.100   10.375   36.424   14.706   52.451   14.233 -16.02719 20.46613 
1 1 1  -28   19   19 o  122.824   7.1114  110.378   11.727   96.033   16.802  124.001   16.374  114.309   10.847  131.339   9.2000 -17.02940 14.22278 
1 1 1  -28   19   20 o   65.064   9.7607   33.287   8.2973   35.501   12.502   31.544   11.092   66.733   14.258   63.395   13.334 3.337982 19.52142 
1 1 1  -28   19   21 o   33.981   14.208   4.4250   10.946   4.4250   10.946   0.0000   0.0000   33.981   14.208  ?   ?       ?      ? 
1 1 1  -28   19   22 o   96.339   8.1160   69.558   10.332   52.973   14.533   86.506   14.692   83.544   12.837  109.134   9.9343 -25.59000 16.23203 
1 1 1  -28   19   23 o   62.855   10.210   32.032   8.5209   28.569   12.536   35.006   11.617   58.859   15.502   66.852   13.292 -7.993057 20.41993 
1 1 1  -28   19   24 o  105.451   7.6868   82.453   10.877   71.703   15.603   92.617   15.171   98.007   11.748  112.895   9.9164 -14.88845 15.37363 
1 1 1  -28   19   25 o   38.985   10.301   9.4741   7.9038   1.1406   11.613   16.665   10.788   32.268   14.081   45.702   15.040 -13.43406 20.60233 
1 1 1  -28   19   26 o   86.140   9.3067   58.460   10.117   40.625   14.389   75.895   14.227   70.410   15.500  101.869   10.306 -31.45951 18.61339 
1 1 1  -28   19   27 o   76.001   9.7422   46.400   9.5481   32.758   13.746   59.119   13.273   62.543   16.118   89.458   10.949 -26.91413 19.48448 
1 1 1  -28   19   28 o   62.390   10.590   32.026   8.8312   29.700   13.193   33.914   11.887   59.529   16.007   65.251   13.871 -5.721504 21.18070 
1 1 1  -28   19   29 o   30.924   9.4340   1.6286   7.2198  -0.3031   10.795   3.1919   9.7114   30.292   13.384   31.555   13.299 -1.263350 18.86799 
1 1 1  -28   19   30 o   37.380   14.306   9.2494   10.124   0.0000   0.0000   9.2494   10.124  ?   ?    37.380   14.306      ?      ? 
1 1 1  -28   19   31 o   63.590   13.692   32.239   11.450   0.0000   0.0000   32.239   11.450  ?   ?    63.590   13.692      ?      ? 
1 1 1  -28   19   32 o   39.335   10.292   10.851   7.5923   5.0102   11.533   15.319   10.086   34.768   14.564   43.903   14.547 -9.134365 20.58480 
1 1 1  -28   19   33 o   38.276   10.114   9.8124   7.5597   1.7247   11.943   15.219   9.7649   32.819   14.302   43.733   14.305 -10.91414 20.22772 
1 1 1  -28   19   34 o   39.660   10.517   11.323   7.6334   10.046   11.707   12.267   10.068   38.966   15.256   40.354   14.480 -1.388084 21.03330 
1 1 1  -28   19   35 o   31.047   9.4180   1.9985   7.2232  -3.0976   11.482   5.3360   9.2922   29.292   13.301   32.801   13.337 -3.508518 18.83601 
1 1 1  -28   19   36 o   38.599   15.195   9.7723   11.671   9.7723   11.671   0.0000   0.0000   38.599   15.195  ?   ?       ?      ? 
1 1 1  -28   19   37 o   53.556   11.021   24.052   8.4722   27.483   12.609   21.228   11.439   56.831   15.801   50.282   15.368 6.549145 22.04140 
1 1 1  -28   19   38 o   51.806   10.827   22.832   8.2356   19.176   12.196   25.897   11.166   47.743   16.001   55.869   14.590 -8.126270 21.65406 
1 1 1  -28   19   39 o   39.501   10.616   11.234   7.9950   7.3022   12.179   14.211   10.598   36.702   15.135   42.299   14.890 -5.597557 21.23163 
1 1 1  -28   19   40 o   37.112   10.296   6.0730   8.0313   17.502   12.375  -2.2441   10.557   45.795   16.092   28.429   12.847 17.36596 20.59129 
1 1 1  -28   19   41 o   52.214   10.200   22.929   8.7249   6.7508   12.745   37.199   11.969   36.537   15.308   67.892   13.485 -31.35486 20.40072 
1 1 1  -28   19   42 o   47.228   10.045   17.110   8.6341  -0.6316   12.624   32.704   11.835   31.606   14.186   62.849   14.227 -31.24319 20.09098 
1 1 1  -28   19   43 o   63.200   11.037   34.334   9.3589   35.594   13.998   33.315   12.586   63.753   16.176   62.647   15.020 1.106384 22.07377 
1 1 1  -28   19   44 o   43.760   11.117   14.993   8.5538   22.502   13.004   9.2654   11.357   50.236   16.511   37.285   14.890 12.95084 22.23377 
1 1 1  -28   19   45 o   56.523   15.390   27.874   12.105   0.0000   0.0000   27.874   12.105  ?   ?    56.523   15.390      ?      ? 
1 1 1  -28   19   46 o   48.691   11.625   20.632   9.1097   27.026   14.003   15.939   11.995   53.996   17.082   43.385   15.772 10.61078 23.24999 
1 1 1  -28   19   47 f   50.615   10.097   22.093   9.0658   1.6931   13.628   38.288   12.142   33.333   14.865   67.898   13.670 -34.56528 20.19489 
1 1 1  -28   19   48 o   32.704   10.106   3.2325   8.4621   0.5576   13.352   5.0284   10.940   32.328   14.543   33.080   14.038 -0.7523384 20.21241 
1 1 1  -28   19   49 f   72.108   10.991   47.944   10.548   35.204   16.360   57.007   13.799   59.341   18.418   84.876   11.997 -25.53566 21.98105 
1 1 1  -28   19   50 o   23.749   11.677 -19.8778   13.112 -19.8778   13.112   0.0000   0.0000   23.749   11.677  ?   ?       ?      ? 
1 1 1  -28   19   51 o   39.683   11.263   12.605   9.4435   7.8389   14.279   16.311   12.590   36.703   15.816   42.662   16.041 -5.958931 22.52640 
1 1 1  -28   19   52 o   35.114   10.671   6.9009   9.1353   5.0150   14.099   8.2653   11.993   34.676   15.310   35.553   14.869 -0.8766251 21.34221 
1 1 1  -28   19   53 o   54.204   10.874   28.886   10.209   8.0509   15.354   45.394   13.668   36.842   16.131   71.567   14.588 -34.72540 21.74836 
1 1 1  -28   19   54 o   42.536   11.196   16.819   9.5175   5.6673   14.822   24.644   12.415   34.959   15.553   50.114   16.109 -15.15516 22.39212 
1 1 1  -28   19   55 o   48.656   11.781   24.916   9.9035   17.115   15.480   30.321   12.885   41.899   17.145   55.412   16.162 -13.51320 23.56198 
1 1 1  -28   19   56 o   32.765   10.187   4.6886   9.0608  -3.1402   14.490   9.7157   11.611   30.037   14.089   35.492   14.719 -5.454304 20.37460 
1 1 1  -28   19   57 o   28.337   13.079  -1.2771   11.720   0.0000   0.0000  -1.2771   11.720  ?   ?    28.337   13.079      ?      ? 
1 1 1  -28   20   21 o   26.970   8.2081  -6.9380   6.8113 -27.9204   10.514   8.2359   8.9412   18.742   9.4111   35.198   13.451 -16.45651 16.41625 
1 1 1  -28   20   22 o   44.869   10.035   16.142   7.8782   3.5199   12.063   25.529   10.403   33.845   14.561   55.892   13.814 -22.04744 20.07088 
1 1 1  -28   20   23 o   45.985   10.790   17.651   7.8391   16.063   12.294   18.740   10.176   44.420   15.994   47.550   14.486 -3.129139 21.57920 
1 1 1  -28   20   24 o   37.845   10.417   9.7833   7.6657   7.8384   12.157   11.067   9.8768   37.042   15.180   38.648   14.271 -1.605545 20.83457 
1 1 1  -28   20   25 o   64.741   10.483   35.157   8.9656   33.039   13.512   36.824   11.984   61.921   15.991   67.561   13.560 -5.640568 20.96677 
1 1 1  -28   20   26 o   43.237   10.280   14.597   8.0059   3.6270   12.075   23.201   10.694   33.819   14.559   52.655   14.518 -18.83658 20.56042 
1 1 1  -28   20   27 o   61.908   14.158   31.605   11.620   0.0000   0.0000   31.605   11.620  ?   ?    61.908   14.158      ?      ? 
1 1 1  -28   20   28 o   48.967   15.113   20.364   11.032   0.0000   0.0000   20.364   11.032  ?   ?    48.967   15.113      ?      ? 
1 1 1  -28   20   29 o   30.062   9.2680  -0.7417   7.1665   7.2943   11.279  -6.1822   9.2805   35.776   14.637   24.348   11.373 11.42740 18.53596 
1 1 1  -28   20   30 o   26.779   8.6420  -3.1545   6.9337  -6.5411   11.047  -0.9531   8.9067   26.603   12.420   26.956   12.020 -0.3532219 17.28407 
1 1 1  -28   20   31 o   48.306   10.847   19.256   7.9989   25.954   12.422   14.512   10.455   54.414   15.868   42.197   14.793 12.21725 21.69441 
1 1 1  -28   20   32 o   32.545   9.7687   4.1932   7.4266   2.8466   11.763   5.0858   9.5768   32.729   14.228   32.360   13.389 0.3690605 19.53748 
1 1 1  -28   20   33 o   30.541   13.724  -0.7201   11.852  -0.7201   11.852   0.0000   0.0000   30.541   13.724  ?   ?       ?      ? 
1 1 1  -28   20   34 o   30.489   13.741  -0.9601   11.984  -0.9601   11.984   0.0000   0.0000   30.489   13.741  ?   ?       ?      ? 
1 1 1  -28   20   35 o   37.174   10.518   9.3561   7.9071   9.1855   12.743   9.4628   10.083   37.787   15.520   36.560   14.201 1.226391 21.03653 
1 1 1  -28   20   36 o   59.495   10.731   29.599   8.8485   43.056   13.805   20.214   11.528   71.111   14.806   47.879   15.537 23.23170 21.46227 
1 1 1  -28   20   37 o   66.069   10.554   37.097   9.1672   42.474   14.021   33.082   12.116   70.059   15.205   62.078   14.640 7.980843 21.10703 
1 1 1  -28   20   38 o   47.684   11.331   20.429   8.5634   20.935   13.503   20.089   11.075   47.703   16.806   47.664   15.204 0.3931808E-01 22.66291 
1 1 1  -28   20   39 o   48.433   11.359   19.219   8.8358   32.319   14.416   11.337   11.182   58.451   17.109   38.415   14.946 20.03630 22.71743 
1 1 1  -28   20   40 o   52.839   11.165   26.471   9.0918   17.990   14.158   32.422   11.860   44.579   16.952   61.098   14.536 -16.51896 22.33088 
1 1 1  -28   20   41 o   35.806   10.538   6.7662   8.3573   14.058   13.436   2.1650   10.673   41.067   16.260   30.544   13.409 10.52348 21.07612 
1 1 1  -28   20   42 o   56.234   15.155   28.553   11.810   0.0000   0.0000   28.553   11.810  ?   ?    56.234   15.155      ?      ? 
1 1 1  -28   20   43 o   33.846   10.411   5.2503   8.6528   3.9154   14.838   5.9382   10.651   34.657   15.479   33.036   13.926 1.621498 20.82153 
1 1 1  -28   20   44 o   40.875   10.827   14.198   9.0294   2.4086   14.275   22.062   11.658   33.304   15.004   48.447   15.614 -15.14241 21.65496 
1 1 1  -28   20   45 o   51.233   11.384   26.622   9.7499   14.582   15.339   34.784   12.629   40.885   16.933   61.581   15.221 -20.69594 22.76869 
1 1 1  -28   20   46 o   39.526   10.897   8.3940   9.0449   27.714   14.798  -3.1281   11.428   51.375   17.623   27.677   12.823 23.69787 21.79469 
1 1 1  -28   20   47 o   40.065   11.228   14.023   9.6304   5.4341   14.431   20.919   12.931   34.427   15.329   45.704   16.409 -11.27776 22.45514 
1 1 1  -28   20   48 o   41.932   17.014   17.443   15.085   17.443   15.085   0.0000   0.0000   41.932   17.014  ?   ?       ?      ? 
1 1 1  -28   20   49 o   34.287   10.585   7.1918   9.2300   6.5987   14.322   7.6130   12.071   34.520   15.326   34.053   14.605 0.4676285 21.17098 
1 1 1  -28   20   50 o   34.058   10.326  -1.1762   9.0381   23.530   15.155 -14.8142   11.260   45.765   17.506   22.351   10.956 23.41359 20.65177 
1 1 1  -28   21   30 o   36.141   10.780   8.3957   9.0463   5.2326   14.542   10.393   11.554   35.162   15.535   37.121   14.950 -1.958591 21.56034 
1 1 1  -28   21   31 o   49.736   17.491   24.995   14.621   24.995   14.621   0.0000   0.0000   49.736   17.491  ?   ?       ?      ? 
1 1 1  -28   21   32 o   42.322   11.021   16.487   8.7628   9.3885   14.143   20.910   11.164   37.245   15.887   47.399   15.280 -10.15401 22.04288 
1 1 1  -28   21   33 o   30.516   9.6962  -0.8769   7.9627   8.8006   13.657  -5.8613   9.8011   36.517   15.595   24.515   11.527 12.00209 19.39242 
1 1 1  -28   21   34 o   49.109   11.439   24.358   9.1653   18.295   15.225   27.805   11.478   43.376   17.266   54.841   15.008 -11.46500 22.87740 
1 1 1  -28   21   35 o   34.419   10.397   7.2826   8.4641   4.9810   14.266   8.5331   10.515   34.263   15.250   34.576   14.137 -0.3127670 20.79472 
1 1 1  -28   21   36 o   32.000   9.4509   2.5798   8.1557 -16.0226   13.274   13.861   10.337   24.582   12.017   39.418   14.591 -14.83538 18.90185 
1 1 1  -28   21   37 o   34.809   10.264   8.2058   8.4221   0.8395   13.472   12.931   10.790   31.275   14.281   38.342   14.747 -7.066847 20.52852 
1 1 1  -28   21   38 o   39.349   10.244   13.172   8.6857  -4.0096   14.383   23.033   10.897   29.672   13.955   49.026   15.001 -19.35397 20.48877 
1 1 1  -28   21   39 o   33.016   13.998   7.0230   10.861   0.0000   0.0000   7.0230   10.861  ?   ?    33.016   13.998      ?      ? 
1 1 1  -28   21   40 o   27.325   12.537  -1.1455   10.552   0.0000   0.0000  -1.1455   10.552  ?   ?    27.325   12.537      ?      ? 
1 1 1  -28   21   41 o   41.277   11.230   17.410   9.0836   12.912   14.741   20.163   11.534   37.991   16.213   44.563   15.543 -6.572018 22.45946 
1 1 1  -27    0    1 o  398.791   7.9136  1079.98   42.728   0.0000   0.0000  1079.98   42.728  398.791   7.9136  398.791   7.9136 -0.000000 0.000000 
1 1 1  -27    0    2 o  473.870   8.8196  1525.04   56.592   0.0000   0.0000  1525.04   56.592  473.870   8.8196  473.870   8.8196 -0.000000 0.000000 
1 1 1  -27    0    3 o  908.894   14.793  5621.69  182.090   0.0000   0.0000  5621.69  182.090  908.894   14.793  908.894   14.793 -0.000000 0.000000 
1 1 1  -27    0    4 o  916.512   14.913  5716.31  185.113   0.0000   0.0000  5716.31  185.113  916.512   14.913  916.512   14.913 -0.000000 0.000000 
1 1 1  -27    0    5 o  420.234   8.1875  1199.19   46.586   0.0000   0.0000  1199.19   46.586  420.234   8.1875  420.234   8.1875 -0.000000 0.000000 
1 1 1  -27    0    6 o  313.557   7.0933  667.715   30.106   0.0000   0.0000  667.715   30.106  313.557   7.0933  313.557   7.0933 -0.000000 0.000000 
1 1 1  -27    0    7 o  753.835   12.575  3862.95  128.374   0.0000   0.0000  3862.95  128.374  753.835   12.575  753.835   12.575 -0.000000 0.000000 
1 1 1  -27    0    8 o  853.326   13.992  4952.46  161.700   0.0000   0.0000  4952.46  161.700  853.326   13.992  853.326   13.992 -0.000000 0.000000 
1 1 1  -27    0    9 o  321.003   10.370  701.494   45.001   0.0000   0.0000  701.494   45.001  321.003   10.370  321.003   10.370 -0.000000 0.000000 
1 1 1  -27    0   10 o  572.028   14.213  2227.89  110.019  2227.89  110.019   0.0000   0.0000  572.028   14.213  572.028   14.213 -0.000000 0.000000 
1 1 1  -27    0   11 o  559.606   13.986  2131.99  105.914  2131.99  105.914   0.0000   0.0000  559.606   13.986  559.606   13.986 -0.000000 0.000000 
1 1 1  -27    0   12 o  402.392   11.203  1101.69   60.985  1101.69   60.985   0.0000   0.0000  402.392   11.203  402.392   11.203 -0.000000 0.000000 
1 1 1  -27    0   13 o  304.139   6.9431  629.610   28.546  640.749   40.442  618.550   40.298  306.838   9.7483  301.440   9.8891 -0.000000 0.000000 
1 1 1  -27    0   14 o  296.830   6.8839  599.544   27.613  621.976   39.419  577.931   38.692  302.310   9.6444  291.351   9.8254 -0.000000 0.000000 
1 1 1  -27    0   15 o  397.183   7.9086  1072.79   42.478  1107.64   60.871  1039.71   59.305  403.486   11.152  390.879   11.217 -0.000000 0.000000 
1 1 1  -27    0   16 o  548.163   9.7807  2041.58   72.476  1950.72   99.835  2142.81  105.383  535.280   13.784  561.047   13.880 -0.000000 0.000000 
1 1 1  -27    0   17 o  571.062   10.085  2219.23   77.914  2278.72  111.752  2162.95  108.686  578.516   14.274  563.607   14.251 -0.000000 0.000000 
1 1 1  -27    0   18 o  332.361   7.2684  751.800   32.666  754.419   46.200  749.182   46.192  332.944   10.262  331.778   10.296 -0.000000 0.000000 
1 1 1  -27    0   19 o  836.465   13.802  4772.31  156.188  4648.79  217.139  4904.73  224.830  825.265   19.440  847.665   19.596 -0.000000 0.000000 
1 1 1  -27    0   20 o  763.020   12.755  3971.09  131.720  3970.74  186.321  3971.44  186.239  762.985   18.043  763.055   18.034 -0.000000 0.000000 
1 1 1  -27    0   21 o  294.320   6.9823  589.612   27.772  573.292   38.913  606.553   39.647  290.150   9.9229  298.491   9.8258 -0.000000 0.000000 
1 1 1  -27    0   22 o  427.281   8.3373  1242.53   48.191  1234.02   67.971  1251.12   68.336  425.806   11.800  428.755   11.781 -0.000000 0.000000 
1 1 1  -27    0   23 o  899.602   14.740  5528.87  179.447  5436.99  251.230  5624.56  256.401  891.975   20.810  907.229   20.880 -0.000000 0.000000 
1 1 1  -27    0   24 o  908.847   14.875  5644.80  182.958  5561.60  256.460  5731.03  261.087  902.029   21.006  915.665   21.066 -0.000000 0.000000 
1 1 1  -27    0   25 o  471.662   8.8761  1514.41   56.640  1523.00   80.536  1506.00   79.674  472.984   12.585  470.341   12.520 -0.000000 0.000000 
1 1 1  -27    0   26 o  393.045   7.9753  1051.03   42.388  1074.20   60.846  1029.18   59.083  397.255   11.323  388.835   11.234 -0.000000 0.000000 
1 1 1  -27    0   27 o  378.874   7.8238  976.890   40.084  990.173   57.378  964.227   56.023  381.386   11.123  376.362   11.006 -0.000000 0.000000 
1 1 1  -27    0   28 o  175.968   9.1094  211.794   21.590   0.0000   0.0000  211.794   21.590  175.968   9.1094  175.968   9.1094 -0.000000 0.000000 
1 1 1  -27    0   29 o  312.631   10.100  665.529   42.687   0.0000   0.0000  665.529   42.687  312.631   10.100  312.631   10.100 -0.000000 0.000000 
1 1 1  -27    0   30 o  308.664   7.1990  648.171   30.019  669.101   43.401  628.974   41.565  313.442   10.243  303.886   10.119 -0.000000 0.000000 
1 1 1  -27    0   31 o  296.006   7.0924  596.654   28.367  604.426   40.725  589.331   39.534  297.871   10.116  294.142   9.9439 -0.000000 0.000000 
1 1 1  -27    0   32 o   94.778   8.5853   63.309   10.209   80.664   15.291   49.347   13.714  107.410   10.752   82.145   13.387 -0.000000 0.000000 
1 1 1  -27    0   33 o  351.219   7.6048  839.291   36.098  863.643   52.130  816.856   50.035  356.111   10.825  346.327   10.684 -0.000000 0.000000 
1 1 1  -27    0   34 f  203.090   6.6726  281.865   18.259  279.418   26.279  284.150   25.390  202.196   9.6406  203.985   9.2279 -0.000000 0.000000 
1 1 1  -27    0   35 o  359.320   7.7245  879.440   37.529  860.561   52.946  898.502   53.202  355.418   11.017  363.222   10.831 -0.000000 0.000000 
1 1 1  -27    0   36 o  418.616   11.890  1193.86   67.325  1193.86   67.325   0.0000   0.0000  418.616   11.890  418.616   11.890 -0.000000 0.000000 
1 1 1  -27    0   37 o  366.436   11.139  914.833   55.197  914.833   55.197   0.0000   0.0000  366.436   11.139  366.436   11.139 -0.000000 0.000000 
1 1 1  -27    0   38 o  185.333   6.7170  235.387   16.742  225.152   23.966  245.145   23.398  181.298   9.8205  189.368   9.1669 -0.000000 0.000000 
1 1 1  -27    0   39 o  213.709   6.7640  312.086   19.486  308.649   27.989  315.319   27.145  212.523   9.7654  214.894   9.3618 -0.000000 0.000000 
1 1 1  -27    0   40 o  202.587   6.7439  280.898   18.392  272.034   26.466  289.178   25.578  199.413   9.8486  205.761   9.2154 -0.000000 0.000000 
1 1 1  -27    0   41 o   66.869   12.041   36.998   9.4220   28.449   13.884   44.295   12.828   56.278   19.988   77.459   13.432 -0.000000 0.000000 
1 1 1  -27    0   42 o  149.382   7.1513  154.893   14.138  128.762   20.028  180.847   19.960  136.330   11.006  162.434   9.1340 -0.000000 0.000000 
1 1 1  -27    0   43 o  366.113   7.8565  913.786   38.887  909.517   55.564  917.884   54.442  365.245   11.250  366.981   10.969 -0.000000 0.000000 
1 1 1  -27    0   44 o  177.639   6.8863  216.359   16.437  214.907   23.878  217.666   22.660  177.005   10.028  178.272   9.4401 -0.000000 0.000000 
1 1 1  -27    0   45 f  261.432   7.0479  466.878   24.849  438.272   35.156  495.438   35.128  253.327   10.279  269.536   9.6452 -0.000000 0.000000 
1 1 1  -27    0   46 f   35.666   13.490   11.977   8.6376   14.839   14.322   10.341   10.828   38.693   20.440   32.639   17.609 -0.000000 0.000000 
1 1 1  -27    0   47 o  297.563   7.3855  603.680   29.657  612.550   43.217  595.783   40.774  299.589   10.676  295.537   10.209 -0.000000 0.000000 
1 1 1  -27    0   48 o  351.579   10.846  842.995   51.561   0.0000   0.0000  842.995   51.561  351.579   10.846  351.579   10.846 -0.000000 0.000000 
1 1 1  -27    0   49 o  136.987   10.317  129.725   18.902   0.0000   0.0000  129.725   18.902  136.987   10.317  136.987   10.317 -0.000000 0.000000 
1 1 1  -27    0   50 o  392.140   8.2452  1049.45   43.706  1047.82   62.760  1050.98   60.902  391.800   11.845  392.480   11.473 -0.000000 0.000000 
1 1 1  -27    0   51 o  304.219   7.4751  630.155   30.674  656.850   45.088  607.155   41.852  310.183   10.756  298.254   10.383 -0.000000 0.000000 
1 1 1  -27    0   52 o  271.393   7.2877  501.842   26.652  520.527   39.313  485.949   36.256  276.026   10.545  266.761   10.062 -0.000000 0.000000 
1 1 1  -27    0   53 o  240.015   7.1776  394.500   23.196  383.230   33.668  404.685   32.004  236.643   10.546  243.387   9.7390 -0.000000 0.000000 
1 1 1  -27    0   54 o  153.096   7.6476  162.368   15.579  156.993   23.149  166.817   21.062  150.549   11.501  155.643   10.083 -0.000000 0.000000 
1 1 1  -27    0   55 o  196.120   10.733  264.106   28.330  264.106   28.330   0.0000   0.0000  196.120   10.733  196.120   10.733 -0.000000 0.000000 
1 1 1  -27    0   56 o  203.546   7.5583  286.203   20.568  259.997   29.900  309.741   28.337  194.383   11.442  212.710   9.8792 -0.000000 0.000000 
1 1 1  -27    0   57 o  287.893   7.6205  565.548   29.522  578.609   43.921  554.785   39.872  290.834   11.182  284.953   10.357 -0.000000 0.000000 
1 1 1  -27    0   58 o  246.647   7.4942  418.014   24.808  398.443   36.489  434.836   33.829  241.076   11.225  252.218   9.9327 -0.000000 0.000000 
1 1 1  -27    0   60 o   27.884   18.157  -1.1816   16.596  -1.1816   16.596   0.0000   0.0000   27.884   18.157   27.884   18.157 -0.000000 0.000000 
1 1 1  -27    0   61 o  106.649   9.6896   82.460   13.048   74.005   19.535   89.269   17.533  100.681   15.385  112.617   11.784 -0.000000 0.000000 
1 1 1  -27    0   62 o  170.265   7.7476  204.168   17.299  168.217   25.531  234.678   23.520  155.553   12.288  184.977   9.4391 -0.000000 0.000000 
1 1 1  -27    0   63 o  176.541   7.5226  214.071   17.700  219.705   26.949  209.798   23.472  178.426   11.248  174.655   9.9918 -0.000000 0.000000 
1 1 1  -27    0   64 o  332.332   7.8822  756.834   35.348  742.112   51.193  770.248   48.867  329.116   11.510  335.546   10.772 -0.000000 0.000000 
1 1 1  -27    0   65 o  288.920   10.349  571.433   40.402   0.0000   0.0000  571.433   40.402  288.920   10.349  288.920   10.349 -0.000000 0.000000 
1 1 1  -27    0   66 o  333.289   10.826  760.774   48.777   0.0000   0.0000  760.774   48.777  333.289   10.826  333.289   10.826 -0.000000 0.000000 
1 1 1  -27    0   67 o   54.206   15.218   27.849   10.627   28.796   17.175   27.261   13.528   53.944   23.041   54.467   19.887 -0.000000 0.000000 
1 1 1  -27    0   68 o  265.666   7.4664  485.616   26.698  468.399   38.896  500.956   36.713  261.021   11.041  270.311   10.054 -0.000000 0.000000 
1 1 1  -27    0   69 o   85.683   12.418   59.863   11.930   42.659   18.090   73.102   15.870   70.131   21.738  101.235   12.014 -0.000000 0.000000 
1 1 1  -27    0   70 o  265.029   7.4523  479.554   26.545  517.545   39.960  449.549   35.513  274.309   10.788  255.749   10.285 -0.000000 0.000000 
1 1 1  -27    0   71 o  243.179   11.021  407.917   36.148  407.917   36.148   0.0000   0.0000  243.179   11.021  243.179   11.021 -0.000000 0.000000 
1 1 1  -27    0   72 o  138.485   8.1813  134.341   14.942  135.287   22.862  133.636   19.743  138.571   12.403  138.399   10.673 -0.000000 0.000000 
1 1 1  -27    0   73 o  176.727   7.5047  215.669   17.689  224.498   26.930  208.970   23.459  179.710   11.157  173.743   10.040 -0.000000 0.000000 
1 1 1  -27    0   74 o  138.909   8.1570  137.110   14.808  126.487   22.667  145.020   19.559  133.495   12.800  144.324   10.115 -0.000000 0.000000 
1 1 1  -27    0   75 o   87.641   11.232   58.945   11.623   55.649   18.296   61.175   15.049   83.786   18.413   91.497   12.868 -0.000000 0.000000 
1 1 1  -27    0   76 o  201.604   7.4680  283.549   20.108  271.452   30.001  293.415   27.095  197.291   11.306  205.917   9.7597 -0.000000 0.000000 
1 1 1  -27    0   77 o  195.748   7.3626  266.447   19.302  267.176   28.804  265.853   26.004  195.732   10.937  195.765   9.8594 -0.000000 0.000000 
1 1 1  -27    0   78 o  163.312   7.5410  188.665   16.300  171.043   24.302  203.074   21.976  155.706   11.668  170.917   9.5562 -0.000000 0.000000 
1 1 1  -27    0   79 o   59.127   17.657   30.354   12.319   0.0000   0.0000   30.354   12.319   59.127   17.657   59.127   17.657 -0.000000 0.000000 
1 1 1  -27    0   80 o   48.202   18.695   22.608   11.619   0.0000   0.0000   22.608   11.619   48.202   18.695   48.202   18.695 -0.000000 0.000000 
1 1 1  -27    0   81 o   50.912   18.600   24.640   11.830   0.0000   0.0000   24.640   11.830   50.912   18.600   50.912   18.600 -0.000000 0.000000 
1 1 1  -27    0   82 o  105.557   11.304   80.423   15.702   0.0000   0.0000   80.423   15.702  105.557   11.304  105.557   11.304 -0.000000 0.000000 
1 1 1  -27    0   83 o  162.878   9.9348  186.635   21.741   0.0000   0.0000  186.635   21.741  162.878   9.9348  162.878   9.9348 -0.000000 0.000000 
1 1 1  -27    1    1 o  375.916   7.6419  960.730   38.912  980.354   56.052  942.475   54.060  379.606   10.896  372.225   10.717 7.381226 15.28373 
1 1 1  -27    1    2 o  568.929   10.052  2204.95   77.434  2284.55  112.323  2132.85  106.896  578.671   14.324  559.187   14.107 19.48486 20.10375 
1 1 1  -27    1    3 o  671.256   11.458  3079.22  104.222  3097.14  148.510  3061.84  146.300  673.153   16.280  669.360   16.129 3.792786 22.91685 
1 1 1  -27    1    4 o  515.782   9.3646  1812.81   65.448  1812.09   93.184  1813.52   91.943  515.661   13.335  515.904   13.151 -0.2437134 18.72910 
1 1 1  -27    1    5 f  514.292   6.6248  1793.59   46.121  1875.95   67.158  1720.09   63.449  525.433   9.4319  503.151   9.3055 22.28152 13.24963 
1 1 1  -27    1    6 o  513.060   6.5936  1788.18   45.839  1808.97   65.365  1768.05   64.300  515.992   9.3481  510.129   9.3014 5.862213 13.18724 
1 1 1  -27    1    7 o  417.943   5.7796  1185.99   32.733  1188.93   46.496  1183.10   46.089  418.453   8.1994  417.432   8.1477 1.021332 11.55917 
1 1 1  -27    1    8 o  291.651   5.5217  573.947   19.003  570.388   21.973  584.510   37.852  290.001   5.5912  293.301   9.5235 -3.300018 11.04348 
1 1 1  -27    1    9 f  404.124   6.5174  1113.05   31.112  1116.83   36.081  1102.08   61.433  405.726   6.5624  402.522   11.262 3.203552 13.03479 
1 1 1  -27    1   10 o  433.360   6.7803  1279.42   34.670  1282.96   40.179  1269.10   68.602  434.834   6.8186  431.886   11.722 2.947998 13.56055 
1 1 1  -27    1   11 f  441.130   7.2689  1328.17   41.057  1339.59   50.515  1305.94   70.473  444.170   8.3924  438.091   11.871 6.078735 14.53776 
1 1 1  -27    1   12 o  165.066   4.3643  184.814   9.7619  186.020   13.885  183.636   13.727  165.597   6.1876  164.534   6.1565 1.063583 8.728625 
1 1 1  -27    1   13 o  153.110   6.2545  159.027   12.977  159.027   12.977   0.0000   0.0000  153.110   6.2545  ?   ?       ?      ? 
1 1 1  -27    1   14 o  156.811   5.3081  163.229   10.715  155.725   13.091  178.453   18.647  151.509   6.3763  162.113   8.4881 -10.60388 10.61623 
1 1 1  -27    1   15 o  167.264   5.4055  190.582   11.589  192.032   14.268  187.772   19.864  168.250   6.2580  166.277   8.8157 1.972672 10.81108 
1 1 1  -27    1   16 o  440.363   7.2769  1308.15   40.795  1289.43   49.624  1347.18   71.650  435.773   8.4032  444.952   11.883 -9.178894 14.55387 
1 1 1  -27    1   17 o  443.181   5.9733  1333.68   35.874  1332.57   50.743  1334.80   50.724  442.994   8.4527  443.367   8.4424 -0.3724976 11.94661 
1 1 1  -27    1   18 o  395.693   5.5857  1062.85   29.951  1070.30   42.556  1055.55   42.161  397.065   7.9088  394.322   7.8900 2.742798 11.17150 
1 1 1  -27    1   19 o  296.898   4.8878  598.067   19.664  605.613   27.999  590.723   27.622  298.746   6.9162  295.051   6.9085 3.694916 9.775512 
1 1 1  -27    1   20 o  419.360   5.7885  1193.89   32.893  1173.28   46.205  1215.06   46.836  415.690   8.2024  423.030   8.1700 -7.339935 11.57704 
1 1 1  -27    1   21 o  511.144   6.5832  1775.01   45.599  1758.79   64.231  1791.50   64.744  508.789   9.3159  513.499   9.3042 -4.710907 13.16642 
1 1 1  -27    1   22 o  496.671   6.4607  1675.43   43.478  1705.87   62.117  1646.20   60.876  501.091   9.1476  492.252   9.1259 8.839111 12.92135 
1 1 1  -27    1   23 f  518.233   6.6626  1824.95   46.790  1828.46   66.274  1821.46   66.068  518.730   9.4280  517.737   9.4167 0.9931641 13.32521 
1 1 1  -27    1   24 o  665.188   8.0395  3010.83   72.470  3019.60  102.706  3002.13  102.270  666.151   11.377  664.226   11.362 1.926025 16.07907 
1 1 1  -27    1   25 o  564.049   8.6632  2158.20   62.359  2141.84   76.166  2191.46  108.608  561.289   10.014  566.807   14.140 -5.518066 17.32643 
1 1 1  -27    1   26 o  386.240   6.7760  1009.53   33.495  1000.54   41.010  1027.54   58.049  383.865   7.8837  388.615   11.023 -4.750458 13.55201 
1 1 1  -27    1   27 o  249.083   5.7861  426.812   18.569  439.776   23.134  403.335   31.133  254.564   6.7062  243.602   9.4310 10.96199 11.57221 
1 1 1  -27    1   28 o  601.921   7.4508  2464.17   60.769  2497.66   86.710  2431.84   85.190  605.935   10.560  597.908   10.514 8.026917 14.90167 
1 1 1  -27    1   29 o  503.502   6.5530  1723.11   44.711  1728.03   63.423  1718.24   63.042  504.215   9.2821  502.790   9.2525 1.424622 13.10596 
1 1 1  -27    1   30 o  269.177   5.9280  495.901   20.384  481.112   35.032  503.471   25.064  265.999   9.7185  272.355   6.7910 -6.356567 11.85609 
1 1 1  -27    1   31 o  165.130   5.6070  179.974   11.870  201.154   20.926  169.925   14.413  172.036   8.9758  158.225   6.7222 13.81021 11.21398 
1 1 1  -27    1   32 o  322.736   5.1632  707.233   22.581  703.656   31.958  710.801   31.911  321.918   7.3257  323.553   7.2780 -1.634796 10.32647 
1 1 1  -27    1   33 o  511.812   6.6541  1780.82   46.145  1808.19   65.904  1754.49   64.633  515.665   9.4311  507.958   9.3895 7.706818 13.30819 
1 1 1  -27    1   34 o  685.673   10.179  3199.64   88.772  3251.48  155.588  3174.62  108.092  688.780   16.669  682.567   11.686 6.213440 20.35740 
1 1 1  -27    1   35 o  371.661   6.8087  944.391   32.277  925.379   55.776  953.963   39.576  368.583   11.167  374.739   7.7933 -6.156433 13.61747 
1 1 1  -27    1   36 o  142.312   4.8666  137.595   9.3795  133.889   13.377  141.178   13.155  140.420   7.0299  144.204   6.7317 -3.784332 9.733224 
1 1 1  -27    1   37 o  127.935   6.3174  110.021   10.232  107.788   12.366  114.869   18.222  125.979   7.2436  129.892   10.352 -3.913101 12.63486 
1 1 1  -27    1   38 o  167.775   6.0499  195.860   12.777  204.251   15.621  178.894   22.212  173.445   6.6460  162.105   10.111 11.34032 12.09983 
1 1 1  -27    1   39 o  272.620   4.9386  504.180   18.231  478.063   25.349  532.166   26.240  265.309   7.0506  279.932   6.9173 -14.62299 9.877253 
1 1 1  -27    1   40 o  190.530   4.7275  246.496   12.206  247.945   17.354  245.077   17.170  191.083   6.7019  189.977   6.6696 1.106125 9.455046 
1 1 1  -27    1   41 o  209.516   4.7603  298.097   13.514  291.109   19.031  305.204   19.192  207.036   6.7831  211.996   6.6807 -4.960175 9.520590 
1 1 1  -27    1   42 o  332.082   5.3162  749.223   23.920  767.572   34.118  731.486   33.544  336.083   7.4913  328.081   7.5449 8.002197 10.63231 
1 1 1  -27    1   43 o  474.182   6.3930  1530.21   41.080  1527.15   58.031  1533.29   58.162  473.707   9.0400  474.658   9.0422 -0.9509888 12.78607 
1 1 1  -27    1   44 o  387.322   5.7171  1020.04   30.006  1006.43   42.157  1034.01   42.717  384.703   8.0866  389.940   8.0838 -5.236877 11.43422 
1 1 1  -27    1   45 o  218.672   4.8736  324.825   14.439  316.131   20.288  333.750   20.555  215.703   6.9407  221.641   6.8437 -5.937973 9.747283 
1 1 1  -27    1   46 o  311.238   5.2246  658.155   22.029  637.346   30.797  679.958   31.524  306.199   7.4219  316.278   7.3552 -10.07953 10.44911 
1 1 1  -27    1   47 o  315.524   6.3771  682.540   25.961  693.461   32.273  662.514   43.703  319.372   7.4569  311.675   10.347 7.696625 12.75426 
1 1 1  -27    1   48 o  389.709   6.9903  1032.00   34.966  1024.85   42.968  1046.01   60.161  388.097   8.1700  391.321   11.345 -3.223633 13.98051 
1 1 1  -27    1   49 o  259.863   6.0958  463.095   20.387  448.976   34.492  470.677   25.274  256.594   9.9195  263.133   7.0879 -6.538513 12.19158 
1 1 1  -27    1   50 f  326.892   6.5198  731.236   27.386  718.439   46.646  737.967   33.830  324.399   10.611  329.385   7.5790 -4.986481 13.03969 
1 1 1  -27    1   51 o  231.467   4.9693  364.173   15.583  353.255   21.864  375.446   22.216  227.936   7.0785  234.998   6.9763 -7.061920 9.938547 
1 1 1  -27    1   52 o  125.300   5.5182  106.810   9.3678  109.967   13.367  103.763   13.132  127.122   7.7595  123.478   7.8481 3.643776 11.03638 
1 1 1  -27    1   53 o  160.866   5.2271  176.107   11.391  179.119   15.988  173.003   16.232  162.273   7.2707  159.458   7.5119 2.815323 10.45426 
1 1 1  -27    1   54 o   71.947   11.200   36.279   10.437   41.389   16.744   33.033   13.346   75.926   16.726   67.968   14.901 7.958046 22.40069 
1 1 1  -27    1   55 f   97.709   10.225   66.149   13.453   72.126   18.644   59.656   19.432  102.451   13.429   92.967   15.424 9.483742 20.45075 
1 1 1  -27    1   56 f  185.443   6.7817  235.315   15.584  236.166   18.621  233.324   28.474  186.285   7.3764  184.602   11.382 1.682968 13.56340 
1 1 1  -27    1   57 o  244.967   5.1820  408.143   17.195  423.813   24.661  393.315   23.989  249.545   7.2925  240.388   7.3641 9.156815 10.36391 
1 1 1  -27    1   58 o  176.539   5.1639  212.152   12.353  210.799   17.543  213.483   17.397  175.974   7.3565  177.103   7.2488 -1.128510 10.32781 
1 1 1  -27    1   59 o  185.313   5.1317  233.634   12.878  246.493   18.439  221.390   17.993  190.300   7.1501  180.325   7.3630 9.975052 10.26342 
1 1 1  -27    1   60 o  286.808   5.2726  560.198   20.491  549.387   28.865  571.181   29.093  284.010   7.4998  289.606   7.4130 -5.595673 10.54513 
1 1 1  -27    1   61 o  245.218   5.1555  409.531   17.132  408.387   24.194  410.682   24.263  244.874   7.2908  245.561   7.2912 -0.6870728 10.31100 
1 1 1  -27    1   62 o  166.817   5.2569  189.499   11.868  176.503   16.568  203.194   17.009  160.926   7.5976  172.708   7.2674 -11.78250 10.51372 
1 1 1  -27    1   63 o  205.609   5.1786  288.074   14.428  293.087   20.499  283.153   20.311  207.386   7.2940  203.831   7.3531 3.554550 10.35711 
1 1 1  -27    1   64 o  267.845   6.2540  480.635   21.690  523.428   37.219  458.626   26.692  276.379   9.9375  259.310   7.5958 17.06876 12.50800 
1 1 1  -27    1   65 o  180.480   7.7508  222.331   18.956  222.331   18.956   0.0000   0.0000  180.480   7.7508  ?   ?       ?      ? 
1 1 1  -27    1   66 o  189.188   6.1695  244.170   15.251  247.937   25.236  242.003   19.141  190.088   9.7967  188.288   7.5018 1.799683 12.33903 
1 1 1  -27    1   67 o  186.827   5.1951  238.370   13.151  234.533   18.660  242.156   18.536  185.317   7.4304  188.337   7.2628 -3.020294 10.39029 
1 1 1  -27    1   68 o  192.044   5.1681  251.957   13.449  252.579   19.151  251.351   18.890  192.269   7.3503  191.819   7.2670 0.4500275 10.33620 
1 1 1  -27    1   69 o   69.155   8.5987   34.559   7.6624   23.500   10.819   45.689   10.854   56.855   14.109   81.455   9.8328 -24.60032 17.19743 
1 1 1  -27    1   70 o  157.755   6.8516  168.178   13.336  179.715   24.969  163.574   15.774  160.937   11.449  154.573   7.5304 6.364029 13.70323 
1 1 1  -27    1   71 o  172.628   8.1034  207.154   18.952  213.962   27.047  200.587   26.563  175.446   11.376  169.811   11.543 5.635483 16.20676 
1 1 1  -27    1   72 o  184.179   6.7656  241.653   15.542  254.668   18.943  214.854   27.183  192.768   7.2516  175.590   11.424 17.17754 13.53117 
1 1 1  -27    1   73 o   91.304   6.7514   57.723   8.1926   73.386   11.956   43.861   11.248  103.177   8.5514   79.430   10.450 23.74632 13.50282 
1 1 1  -27    1   74 o  150.409   5.3386  155.556   10.880  152.669   15.341  158.479   15.433  148.990   7.5983  151.827   7.5011 -2.836884 10.67714 
1 1 1  -27    1   75 o  182.894   5.1523  230.014   12.768  225.566   17.886  234.636   18.232  181.091   7.2886  184.698   7.2844 -3.606491 10.30461 
1 1 1  -27    1   76 o   92.929   6.4804   60.044   8.1607   59.686   11.502   60.408   11.581   92.650   9.1607   93.207   9.1687 -0.5564728 12.96081 
1 1 1  -27    1   77 o  119.017   5.6670   98.072   9.1373  101.345   12.993   94.869   12.852  121.011   7.9232  117.024   8.1045 3.986504 11.33407 
1 1 1  -27    1   78 o   48.992   9.3357   17.843   6.5142   23.292   9.2394   12.458   9.1856   56.033   12.487   41.951   13.881 14.08221 18.67150 
1 1 1  -27    1   79 o   96.231   7.2891   66.724   9.1114   70.653   11.593   60.375   14.736  100.648   8.4999   91.815   11.844 8.832756 14.57811 
1 1 1  -27    1   80 o  157.982   6.9908  176.156   14.936  161.334   20.726  192.169   21.543  150.912   10.135  165.051   9.6317 -14.13957 13.98166 
1 1 1  -27    1   81 o   53.186   11.099   21.999   8.6615   26.112   12.199   17.817   12.300   57.831   15.322   48.541   16.063 9.289795 22.19857 
1 1 1  -27    1   82 f  136.832   7.2213  133.683   13.385  138.874   19.220  128.796   18.650  139.437   10.172  134.227   10.253 5.210159 14.44261 
1 1 1  -27    1   83 o  119.149   7.4453  102.120   12.016  105.341   17.308   99.123   16.695  120.941   10.561  117.358   10.498 3.582565 14.89064 
1 1 1  -27    2    1 o  471.866   6.1944  1512.60   39.605  1522.87   56.520  1502.69   55.514  473.433   8.8097  470.300   8.7105 3.132263 12.38883 
1 1 1  -27    2    2 o  673.846   8.0937  3089.72   73.897  3025.31  103.498  3156.70  105.543  666.682   11.456  681.011   11.437 -14.32898 16.18742 
1 1 1  -27    2    3 o  585.392   7.2356  2329.66   57.389  2360.26   82.091  2300.40   80.261  589.142   10.282  581.643   10.183 7.498657 14.47120 
1 1 1  -27    2    4 o  468.291   6.1767  1488.35   39.176  1531.32   56.535  1448.65   54.338  474.782   8.7870  461.801   8.6829 12.98108 12.35333 
1 1 1  -27    2    5 o  542.093   6.8447  1997.34   50.280  1994.04   71.349  2000.60   70.867  541.641   9.7206  542.546   9.6389 -0.9044189 13.68933 
1 1 1  -27    2    6 o  412.568   5.7244  1154.95   31.990  1183.55   46.072  1128.33   44.454  417.491   8.1435  407.645   8.0472 9.846405 11.44870 
1 1 1  -27    2    7 o  449.973   7.3236  1359.56   42.109  1326.57   51.293  1427.75   73.747  441.952   8.5645  457.995   11.882 -16.04279 14.64716 
1 1 1  -27    2    8 o  468.858   7.5328  1473.50   45.054  1433.28   54.751  1557.87   79.291  459.358   8.7954  478.358   12.232 -18.99918 15.06563 
1 1 1  -27    2    9 o  344.514   6.3865  817.777   28.523  848.201   35.863  765.400   47.056  353.498   7.4864  335.530   10.349 17.96823 12.77297 
1 1 1  -27    2   10 o  205.459   5.0843  287.544   12.555  288.786   14.702  284.200   24.128  206.359   5.2573  204.559   8.7041 1.800156 10.16860 
1 1 1  -27    2   11 o  478.231   7.2214  1555.85   40.795  1557.05   47.281  1552.34   80.697  478.977   7.2844  477.486   12.471 1.490479 14.44282 
1 1 1  -27    2   12 o  439.718   7.2631  1327.83   41.088  1358.69   51.008  1270.81   69.338  447.305   8.4149  432.130   11.841 15.17471 14.52622 
1 1 1  -27    2   13 o  330.984   5.0821  743.427   22.794  749.704   32.396  737.273   32.077  332.367   7.1927  329.601   7.1817 2.766357 10.16425 
1 1 1  -27    2   14 o  322.018   5.0141  703.468   21.877  718.527   31.281  689.050   30.607  325.390   7.0940  318.647   7.0881 6.743713 10.02824 
1 1 1  -27    2   15 o  441.961   8.4293  1326.43   50.484  1326.43   50.484   0.0000   0.0000  441.961   8.4293  ?   ?       ?      ? 
1 1 1  -27    2   16 o  497.739   6.4366  1682.92   43.414  1692.35   61.694  1673.67   61.103  499.117   9.1214  496.361   9.0840 2.756744 12.87320 
1 1 1  -27    2   17 o  213.015   5.4696  299.943   14.870  285.138   17.995  331.817   26.404  205.005   6.4774  221.025   8.8154 -16.02052 10.93925 
1 1 1  -27    2   18 o  358.889   6.5173  871.366   29.802  864.282   36.333  885.931   52.098  356.831   7.5137  360.947   10.651 -4.115814 13.03465 
1 1 1  -27    2   19 o  481.512   7.7452  1570.38   47.501  1557.75   57.898  1596.39   83.080  478.872   8.9219  484.152   12.663 -5.280029 15.49032 
1 1 1  -27    2   20 o  456.689   6.1074  1415.27   37.779  1462.88   54.434  1371.02   52.475  464.090   8.6554  449.288   8.6188 14.80176 12.21472 
1 1 1  -27    2   21 f  413.523   5.7600  1161.11   32.277  1151.43   45.477  1170.94   45.819  411.786   8.1496  415.260   8.1422 -3.474640 11.52008 
1 1 1  -27    2   22 o  560.853   8.6050  2139.06   61.752  2133.49   75.714  2150.11  106.721  560.215   9.9733  561.491   14.026 -1.276001 17.21009 
1 1 1  -27    2   23 o  476.846   7.6596  1527.72   46.521  1492.32   56.503  1602.23   81.968  468.680   8.8964  485.012   12.471 -16.33173 15.31914 
1 1 1  -27    2   24 o  586.570   7.3001  2338.96   58.017  2290.73   81.175  2389.32   82.951  580.391   10.321  592.748   10.327 -12.35736 14.60019 
1 1 1  -27    2   25 o  673.568   8.1304  3087.28   74.199  3139.75  106.143  3037.14  103.765  679.154   11.533  667.982   11.463 11.17163 16.26075 
1 1 1  -27    2   26 o  489.609   6.4266  1629.01   42.640  1623.99   60.298  1634.02   60.305  488.853   9.1022  490.365   9.0751 -1.512024 12.85330 
1 1 1  -27    2   27 o  376.819   5.4980  963.679   28.066  986.058   40.293  942.588   39.117  381.063   7.8029  372.575   7.7476 8.488434 10.99591 
1 1 1  -27    2   28 o  316.251   5.0936  678.616   21.822  692.583   31.348  665.484   30.396  319.403   7.2425  313.098   7.1641 6.304657 10.18711 
1 1 1  -27    2   29 o  283.665   4.9182  546.000   18.901  555.751   27.088  536.747   26.387  286.130   6.9861  281.200   6.9245 4.930115 9.836338 
1 1 1  -27    2   30 o  463.762   6.2184  1461.47   39.077  1474.80   55.683  1448.53   54.854  465.842   8.8206  461.682   8.7677 4.160004 12.43686 
1 1 1  -27    2   31 o  435.993   7.3719  1285.48   40.770  1316.38   72.002  1270.89   49.463  439.505   12.089  432.481   8.4397 7.023376 14.74370 
1 1 1  -27    2   32 o  450.212   8.6399  1377.52   52.712   0.0000   0.0000  1377.52   52.712  ?   ?   450.212   8.6399      ?      ? 
1 1 1  -27    2   33 o  429.675   7.3051  1247.39   39.857  1282.46   70.313  1230.78   48.380  433.771   11.962  425.580   8.3889 8.190491 14.61015 
1 1 1  -27    2   34 o  210.577   4.7066  301.057   13.429  295.848   19.020  306.235   18.963  208.757   6.7233  212.398   6.5883 -3.641022 9.413250 
1 1 1  -27    2   35 f  380.957   5.5978  986.066   28.897  975.267   40.871  996.860   40.863  378.865   7.9606  383.048   7.8722 -4.182892 11.19565 
1 1 1  -27    2   36 o  297.440   5.0409  600.872   20.316  595.607   28.852  606.050   28.613  296.142   7.1893  298.739   7.0679 -2.596649 10.08170 
1 1 1  -27    2   37 o  382.200   5.6070  992.529   29.037  971.592   40.848  1013.92   41.284  378.120   7.9719  386.280   7.8868 -8.159943 11.21398 
1 1 1  -27    2   38 o  353.699   6.7285  848.636   30.243  843.655   36.803  858.993   53.072  352.366   7.7074  355.031   11.031 -2.665253 13.45696 
1 1 1  -27    2   39 f  308.140   6.4130  638.141   24.950  624.896   30.078  667.363   44.676  303.291   7.3182  312.989   10.533 -9.698395 12.82602 
1 1 1  -27    2   40 o  269.498   4.9601  493.248   18.113  484.377   25.439  502.369   25.796  267.039   7.0297  271.957   6.9995 -4.917297 9.920207 
1 1 1  -27    2   41 o  225.525   4.8158  345.446   14.718  348.181   20.860  342.734   20.769  226.415   6.7986  224.635   6.8226 1.779953 9.631632 
1 1 1  -27    2   42 o  156.932   4.9450  167.046   10.499  181.110   15.148  154.046   14.564  163.287   6.8459  150.577   7.1376 12.71004 9.890020 
1 1 1  -27    2   43 o  168.792   4.8568  193.431   11.091  178.662   15.476  209.027   15.903  162.161   7.0427  175.424   6.6898 -13.26326 9.713543 
1 1 1  -27    2   44 o  171.453   4.9090  199.762   11.403  195.462   16.155  204.032   16.098  169.607   7.0289  173.298   6.8548 -3.690567 9.818005 
1 1 1  -27    2   45 o  383.017   5.6999  997.784   29.584  992.915   41.754  1002.69   41.924  382.078   8.0641  383.956   8.0575 -1.877838 11.39975 
1 1 1  -27    2   46 f  344.992   6.5793  812.080   29.268  815.315   36.244  806.018   49.621  346.261   7.7241  343.723   10.653 2.537720 13.15865 
1 1 1  -27    2   47 o  222.120   5.8593  336.841   16.901  339.685   21.130  331.790   28.162  223.564   6.9745  220.676   9.4171 2.888214 11.71864 
1 1 1  -27    2   48 o  345.783   6.5774  807.893   29.265  793.473   35.966  836.152   50.347  341.544   7.7707  350.022   10.614 -8.478271 13.15480 
1 1 1  -27    2   49 o  272.681   7.1520  508.024   26.383  489.015   37.966  525.775   36.689  267.676   10.467  277.687   9.7497 -10.01147 14.30407 
1 1 1  -27    2   50 o  113.237   8.2177   87.285   12.610   0.0000   0.0000   87.285   12.610  ?   ?   113.237   8.2177      ?      ? 
1 1 1  -27    2   51 o  245.376   5.0572  409.441   16.816  407.728   23.817  411.144   23.745  244.861   7.1776  245.891   7.1262 -1.030197 10.11432 
1 1 1  -27    2   52 o  530.299   6.9526  1918.87   49.963  1921.84   70.801  1915.92   70.517  530.703   9.8447  529.894   9.8202 0.8095703 13.90519 
1 1 1  -27    2   53 o  368.337   7.0611  932.823   33.061  906.607   57.365  945.860   40.455  363.946   11.631  372.729   8.0093 -8.782928 14.12218 
1 1 1  -27    2   54 o  232.016   5.0917  364.416   15.969  397.609   23.537  336.100   21.739  241.760   7.1842  222.271   7.2172 19.48906 10.18336 
1 1 1  -27    2   55 o  328.149   5.4533  732.808   24.245  747.872   34.700  718.440   33.890  331.440   7.7258  324.858   7.6983 6.581879 10.90657 
1 1 1  -27    2   56 o  232.161   6.5869  367.988   19.242  368.299   23.253  367.312   34.271  232.624   7.3765  231.699   10.915 0.9250183 13.17384 
1 1 1  -27    2   57 o  243.376   5.1545  402.986   16.995  416.522   24.278  389.978   23.799  247.389   7.2420  239.362   7.3369 8.026581 10.30906 
1 1 1  -27    2   58 o  323.651   5.4304  713.416   23.815  701.503   33.610  725.427   33.750  320.927   7.7283  326.375   7.6308 -5.447784 10.86077 
1 1 1  -27    2   59 o  352.633   5.6044  846.226   26.763  883.470   38.673  811.995   37.075  360.069   7.9258  345.197   7.9257 14.87231 11.20872 
1 1 1  -27    2   60 o  280.452   5.2251  535.690   19.857  530.961   28.072  540.426   28.094  279.207   7.4192  281.697   7.3594 -2.489349 10.45015 
1 1 1  -27    2   61 o  312.166   5.3918  663.843   22.805  677.734   32.625  650.570   31.890  315.357   7.6341  308.976   7.6163 6.380219 10.78368 
1 1 1  -27    2   62 o  222.294   5.1506  336.719   15.513  332.508   22.024  340.865   21.856  220.902   7.3571  223.686   7.2102 -2.783615 10.30116 
1 1 1  -27    2   63 o  267.702   5.2528  488.543   19.055  482.698   26.906  494.424   26.989  266.089   7.4617  269.316   7.3952 -3.227386 10.50551 
1 1 1  -27    2   64 o  263.785   6.2408  471.473   21.275  461.680   26.261  490.177   36.292  260.182   7.4481  267.389   10.016 -7.207397 12.48167 
1 1 1  -27    2   65 o  106.628   6.3661   77.864   9.1939   75.569   13.065   80.115   12.940  105.049   9.1778  108.206   8.8247 -3.156708 12.73213 
1 1 1  -27    2   66 o  212.734   6.0969  303.919   16.691  328.262   28.973  291.826   20.421  218.685   9.7766  206.784   7.2874 11.90080 12.19378 
1 1 1  -27    2   67 o  153.676   5.4043  161.427   11.245  160.739   16.223  162.063   15.601  153.333   7.8074  154.020   7.4747 -0.6877747 10.80865 
1 1 1  -27    2   68 o  290.727   5.3573  577.974   21.093  551.739   29.667  604.797   29.997  284.008   7.7083  297.446   7.4420 -13.43796 10.71456 
1 1 1  -27    2   69 o  140.922   6.4981  128.190   11.843  165.196   20.891  110.668   14.375  154.812   9.9581  127.032   8.3508 27.77988 12.99616 
1 1 1  -27    2   70 o  154.217   11.616  165.266   24.276   0.0000   0.0000  165.266   24.276  ?   ?   154.217   11.616      ?      ? 
1 1 1  -27    2   71 o  124.814   7.6717  109.518   11.864  111.734   14.252  104.518   21.409  127.522   8.2471  122.106   12.938 5.416229 15.34332 
1 1 1  -27    2   72 f  178.308   6.6394  219.206   14.800  218.421   17.783  220.977   26.694  178.460   7.3535  178.155   11.057 0.3048859 13.27876 
1 1 1  -27    2   73 f  133.134   5.5060  122.048   9.9014  110.196   13.929  134.154   14.077  126.505   8.1252  139.764   7.4327 -13.25894 11.01197 
1 1 1  -27    2   74 f   63.053   8.5415   28.714   7.0880   36.602   10.157   21.226   9.8958   72.463   10.344   53.643   13.596 18.81973 17.08297 
1 1 1  -27    2   75 o  209.308   5.1149  301.236   14.499  286.743   20.263  316.441   20.755  204.111   7.3260  214.504   7.1400 -10.39314 10.22985 
1 1 1  -27    2   76 o  170.422   5.1627  200.166   11.923  201.603   16.878  198.735   16.845  171.040   7.2817  169.804   7.3206 1.236481 10.32535 
1 1 1  -27    2   77 f  108.270   5.8476   81.371   8.5547   73.624   11.984   89.419   12.215  102.912   8.5933  113.629   7.9330 -10.71642 11.69515 
1 1 1  -27    2   78 o   95.377   6.2596   63.497   8.0634   70.330   11.542   56.983   11.269  100.506   8.4747   90.247   9.2145 10.25826 12.51911 
1 1 1  -27    2   79 o   97.862   8.0599   68.413   10.639   77.008   15.264   60.291   14.837  104.090   10.821   91.634   11.948 12.45564 16.11986 
1 1 1  -27    2   80 o   77.342   9.4111   44.267   9.6708   45.337   13.842   43.246   13.517   78.841   12.956   75.843   13.654 2.997810 18.82216 
1 1 1  -27    2   81 o   93.481   8.3255   63.524   10.441   53.539   14.695   73.705   14.839   85.552   12.675  101.410   10.798 -15.85780 16.65098 
1 1 1  -27    2   82 o  130.390   7.2661  121.563   12.830  127.528   18.515  116.053   17.795  133.491   10.235  127.289   10.316 6.201286 14.53217 
1 1 1  -27    2   83 o   99.792   8.0106   72.469   10.829   70.147   15.261   74.824   15.369   98.088   11.481  101.495   11.174 -3.406601 16.02112 
1 1 1  -27    3    1 f  293.080   6.6987  582.981   26.605   0.0000   0.0000  582.981   26.605  ?   ?   293.080   6.6987      ?      ? 
1 1 1  -27    3    2 o  359.202   5.2780  876.287   25.684  854.453   36.424  897.879   36.222  354.739   7.5769  363.665   7.3500 -8.925354 10.55610 
1 1 1  -27    3    3 o  409.327   5.6740  1137.34   31.458  1155.11   45.322  1120.82   43.700  412.401   8.1097  406.253   7.9378 6.148499 11.34795 
1 1 1  -27    3    4 o  350.341   5.2389  833.306   24.864  831.600   35.611  834.929   34.731  349.981   7.5085  350.700   7.3079 -0.7183533 10.47778 
1 1 1  -27    3    5 f  420.409   7.0446  1204.61   38.222  1211.25   47.394  1192.26   64.646  422.296   8.2817  418.523   11.398 3.773468 14.08927 
1 1 1  -27    3    6 o  603.849   8.5195  2471.39   60.452  2459.65   69.787  2506.68  120.987  601.740   8.5583  605.958   14.734 -4.218262 17.03893 
1 1 1  -27    3    7 o  414.493   6.6109  1197.96   32.815  1234.95   38.625  1102.01   62.215  426.595   6.6814  402.390   11.409 24.20456 13.22181 
1 1 1  -27    3    8 o  321.817   5.7097  706.611   21.942  710.370   25.607  696.227   42.560  323.604   5.8393  320.029   9.8136 3.575562 11.41943 
1 1 1  -27    3    9 o  377.924   6.2255  983.734   28.085  999.247   32.861  941.697   54.096  383.767   6.3188  372.081   10.729 11.68582 12.45106 
1 1 1  -27    3   10 f  333.819   5.8451  766.081   23.334  776.895   27.318  736.896   44.876  338.413   5.9568  329.224   10.059 9.188599 11.69010 
1 1 1  -27    3   11 o  441.828   7.2926  1341.05   41.747  1376.03   52.292  1279.56   69.326  450.096   8.5733  433.560   11.800 16.53625 14.58524 
1 1 1  -27    3   12 o  440.412   7.2892  1330.06   41.562  1358.07   51.940  1280.19   69.301  447.152   8.5716  433.672   11.792 13.48038 14.57845 
1 1 1  -27    3   13 o  276.672   5.8773  529.966   21.217  561.666   27.085  479.619   34.134  287.684   6.9475  265.659   9.4817 22.02438 11.75459 
1 1 1  -27    3   14 o  271.763   5.3990  503.548   17.606  506.070   20.602  496.719   33.903  273.153   5.5657  270.373   9.2531 2.779877 10.79799 
1 1 1  -27    3   15 o  432.630   5.8747  1271.08   34.441  1274.82   48.871  1267.39   48.546  433.260   8.3237  431.999   8.2926 1.261322 11.74947 
1 1 1  -27    3   16 o  453.042   7.3835  1398.89   42.945  1405.67   52.936  1385.85   73.452  454.916   8.5868  451.168   12.014 3.747925 14.76705 
1 1 1  -27    3   17 o  338.919   6.2730  784.832   27.422  795.276   34.048  765.547   46.266  342.287   7.3403  335.550   10.175 6.737030 12.54608 
1 1 1  -27    3   18 o  383.586   6.6981  1005.12   33.109  1016.91   41.048  983.170   56.009  387.005   7.8270  380.167   10.872 6.838104 13.39623 
1 1 1  -27    3   19 o  319.954   6.1443  698.489   25.310  705.424   31.332  685.464   42.937  322.381   7.1720  317.528   9.9785 4.852997 12.28854 
1 1 1  -27    3   20 o  424.076   7.1944  1232.05   39.098  1251.79   48.241  1194.26   66.744  429.316   8.2919  418.836   11.759 10.47989 14.38889 
1 1 1  -27    3   21 o  621.374   9.3650  2634.33   74.326  2638.91   91.074  2625.19  128.611  622.816   10.791  619.933   15.309 2.883179 18.72994 
1 1 1  -27    3   22 o  419.417   5.8014  1194.55   32.970  1207.36   47.038  1182.17   46.226  421.624   8.2327  417.209   8.1761 4.414856 11.60285 
1 1 1  -27    3   23 o  342.591   5.2251  796.839   24.257  787.756   34.327  805.897   34.281  340.637   7.4363  344.545   7.3422 -3.908447 10.45022 
1 1 1  -27    3   24 o  412.925   5.7605  1158.10   32.233  1146.56   45.569  1169.65   45.599  410.862   8.1846  414.987   8.1085 -4.124420 11.52108 
1 1 1  -27    3   25 o  358.919   5.3628  874.770   26.082  865.779   36.958  883.692   36.814  357.076   7.6378  360.762   7.5302 -3.685913 10.72562 
1 1 1  -27    3   26 o  285.388   4.8982  552.487   18.936  565.693   27.243  540.143   26.339  288.682   6.9639  282.093   6.8901 6.589020 9.796426 
1 1 1  -27    3   27 o  566.158   7.1139  2179.93   54.575  2202.84   77.808  2157.74   76.567  569.079   10.090  563.237   10.032 5.842590 14.22778 
1 1 1  -27    3   28 o  443.709   7.3945  1336.60   41.797  1348.64   72.944  1330.71   51.000  444.875   12.099  442.543   8.5041 2.331940 14.78909 
1 1 1  -27    3   29 o   82.601   7.2768   45.985   7.4972   47.547   13.689   45.316   8.9605   83.527   12.094   81.674   8.0959 1.852722 14.55360 
1 1 1  -27    3   30 o  232.493   5.7789  368.142   16.996  364.707   29.931  369.777   20.648  231.577   9.5376  233.410   6.5281 -1.832108 11.55779 
1 1 1  -27    3   31 o  348.841   5.3289  825.489   25.175  855.467   36.393  797.980   34.863  354.904   7.5670  342.778   7.5052 12.12531 10.65781 
1 1 1  -27    3   32 f  330.829   6.4241  743.826   26.936  745.172   47.395  743.184   32.737  330.845   10.571  330.812   7.3027 0.3344727E-01 12.84830 
1 1 1  -27    3   33 o  324.807   6.3925  721.586   26.398  705.066   45.875  729.764   32.278  321.808   10.519  327.806   7.2662 -5.998047 12.78500 
1 1 1  -27    3   34 o  341.165   5.3170  790.498   24.579  798.765   35.093  782.539   34.435  342.912   7.5519  339.418   7.4866 3.493439 10.63394 
1 1 1  -27    3   35 o  339.859   5.3101  784.669   24.455  776.107   34.602  793.214   34.567  338.002   7.5544  341.717   7.4646 -3.715424 10.62028 
1 1 1  -27    3   36 o  291.865   5.0490  578.340   19.965  590.463   28.585  566.793   27.898  294.849   7.1542  288.881   7.1264 5.967712 10.09796 
1 1 1  -27    3   37 o  368.740   5.5386  923.844   27.673  936.697   39.463  911.408   38.816  371.262   7.8439  366.219   7.8215 5.042938 11.07712 
1 1 1  -27    3   38 o  295.658   5.1027  593.815   20.443  593.916   29.097  593.716   28.727  295.678   7.2618  295.638   7.1705 0.4010010E-01 10.20537 
1 1 1  -27    3   39 o  187.672   6.0638  239.156   14.407  238.464   17.484  240.619   25.430  187.375   6.8857  187.970   9.9833 -0.5955353 12.12759 
1 1 1  -27    3   40 o  283.637   6.3235  551.135   22.772  558.327   27.822  536.537   39.637  286.672   7.1618  280.601   10.424 6.070099 12.64707 
1 1 1  -27    3   41 o  168.035   4.8377  192.004   11.004  184.453   15.704  199.289   15.425  164.774   7.0328  171.297   6.6448 -6.522919 9.675428 
1 1 1  -27    3   42 o  217.700   4.8333  321.776   14.255  330.150   20.450  313.862   19.881  220.452   6.8453  214.947   6.8252 5.505219 9.666539 
1 1 1  -27    3   43 o  341.828   6.4866  791.088   28.607  781.189   35.302  810.021   48.821  338.976   7.6850  344.681   10.452 -5.705627 12.97326 
1 1 1  -27    3   44 o  346.318   7.6202  818.678   35.740  789.669   50.731  847.263   50.358  340.173   11.005  352.462   10.543 -12.28949 15.24043 
1 1 1  -27    3   45 o  290.038   7.1760  574.265   28.169  549.149   40.207  598.479   39.477  283.746   10.457  296.330   9.8307 -12.58405 14.35209 
1 1 1  -27    3   46 o  519.336   6.8133  1838.01   47.948  1846.62   68.180  1829.59   67.443  520.529   9.6657  518.142   9.6052 2.386902 13.62664 
1 1 1  -27    3   47 o  396.642   5.8152  1070.51   31.254  1080.81   44.530  1060.51   43.878  398.517   8.2456  394.766   8.2021 3.751068 11.63035 
1 1 1  -27    3   48 o  319.956   5.3142  696.083   23.037  676.581   32.332  716.192   32.832  315.397   7.5648  324.515   7.4658 -9.117188 10.62849 
1 1 1  -27    3   49 f  372.862   5.6603  946.139   28.599  945.507   40.611  946.761   40.281  372.731   8.0402  372.992   7.9693 -0.2615662 11.32051 
1 1 1  -27    3   50 o  608.078   9.3926  2536.45   72.875  2536.91  126.383  2536.23   89.198  606.852   15.368  609.305   10.803 -2.453125 18.78515 
1 1 1  -27    3   51 o  458.007   8.9053  1429.55   55.271   0.0000   0.0000  1429.55   55.271  ?   ?   458.007   8.9053      ?      ? 
1 1 1  -27    3   52 o  157.773   6.6782  175.467   12.984  155.709   23.236  184.437   15.656  150.864   11.366  164.682   7.0152 -13.81801 13.35644 
1 1 1  -27    3   53 o  491.736   6.6170  1649.03   44.086  1672.10   63.074  1626.99   61.645  495.082   9.4013  488.388   9.3143 6.693878 13.23407 
1 1 1  -27    3   54 o  407.986   5.9650  1132.36   32.952  1183.55   47.781  1085.94   45.504  416.757   8.4603  399.215   8.4112 17.54266 11.93000 
1 1 1  -27    3   55 o  138.832   5.6626  131.247   10.651  132.917   15.254  129.658   14.879  139.689   8.0583  137.975   7.9577 1.713745 11.32529 
1 1 1  -27    3   56 o   53.629   11.862   19.121   8.9533   18.234   10.627   21.291   16.622   50.836   14.634   56.421   18.673 -5.584980 23.72465 
1 1 1  -27    3   57 f  309.674   6.6481  650.057   26.139  641.430   31.731  668.273   46.106  306.903   7.6295  312.444   10.889 -5.540833 13.29624 
1 1 1  -27    3   58 o  196.981   5.0807  264.180   13.554  262.543   19.470  265.720   18.881  196.372   7.3166  197.590   7.0513 -1.218369 10.16137 
1 1 1  -27    3   59 o  186.836   5.1378  237.891   12.997  231.162   18.598  244.314   18.170  184.228   7.4494  189.444   7.0779 -5.215866 10.27566 
1 1 1  -27    3   60 o  214.307   5.0938  312.934   14.785  304.419   21.041  321.239   20.780  211.404   7.3447  217.210   7.0598 -5.805450 10.18751 
1 1 1  -27    3   61 o  224.477   5.0965  343.337   15.494  329.068   21.863  357.736   21.962  219.767   7.3410  229.186   7.0715 -9.418488 10.19296 
1 1 1  -27    3   62 o  134.043   5.7350  123.046   10.374  111.306   14.774  134.463   14.570  127.662   8.5402  140.424   7.6568 -12.76179 11.46998 
1 1 1  -27    3   63 o  369.370   6.9609  945.130   33.397  973.107   42.022  897.160   55.024  377.496   8.2145  361.245   11.240 16.25110 13.92179 
1 1 1  -27    3   64 o  240.116   5.2418  392.717   17.041  416.473   24.606  370.824   23.622  247.097   7.3485  233.135   7.4770 13.96210 10.48361 
1 1 1  -27    3   65 o  237.545   5.1623  385.177   16.612  378.675   23.670  391.487   23.319  235.542   7.4157  239.548   7.1835 -4.005356 10.32454 
1 1 1  -27    3   66 o   70.587   9.6505   33.528   8.5562   44.256   14.831   28.176   10.475   78.498   14.475   62.676   12.767 15.82233 19.30091 
1 1 1  -27    3   67 o  144.329   5.4628  142.250   10.675  147.511   15.493  137.495   14.730  146.855   7.7851  141.802   7.6655 5.053116 10.92553 
1 1 1  -27    3   68 o  182.369   5.1898  227.659   12.811  219.844   18.349  235.090   17.893  179.264   7.5534  185.475   7.1191 -6.210953 10.37953 
1 1 1  -27    3   69 o  113.771   8.2588   97.673   11.052   72.895   20.105  108.402   13.230  101.751   14.581  125.791   7.7610 -24.03961 16.51766 
1 1 1  -27    3   70 o  169.203   5.3376  196.225   12.233  195.308   17.553  197.090   17.057  168.786   7.6742  169.619   7.4205 -0.8329163 10.67511 
1 1 1  -27    3   71 o  234.661   6.6032  379.074   19.481  377.176   23.507  383.236   34.810  234.542   7.3961  234.779   10.941 -0.2374115 13.20649 
1 1 1  -27    3   72 o  183.450   6.5579  227.525   15.181  218.905   18.236  246.980   27.398  178.541   7.5373  188.359   10.734 -9.817841 13.11571 
1 1 1  -27    3   73 o  161.970   5.3229  180.160   11.661  196.100   16.784  165.285   16.213  168.948   7.3310  154.991   7.7194 13.95723 10.64580 
1 1 1  -27    3   74 o   90.139   7.8099   56.086   9.2826   60.731   15.206   53.327   11.720   92.767   12.096   87.511   9.8826 5.256332 15.61972 
1 1 1  -27    3   75 o   37.243   10.399   6.3367   7.6128   7.4857   12.105   5.5850   9.7914   39.322   15.477   35.165   13.894 4.156548 20.79870 
1 1 1  -27    3   76 o  122.424   7.1093   98.042   10.936   87.586   12.936  124.227   20.471  112.329   8.4982  132.518   11.400 -20.18954 14.21866 
1 1 1  -27    3   77 o  185.705   5.1960  238.418   13.068  241.329   18.241  235.349   18.732  186.942   7.2003  184.467   7.4934 2.474487 10.39206 
1 1 1  -27    3   78 o   66.728   9.5927   36.298   8.1904   45.205   10.384   21.631   13.325   80.219   9.5518   53.237   16.639 26.98226 19.18540 
1 1 1  -27    3   79 o   55.524   10.633   23.469   8.5871   33.083   12.314   14.368   11.981   65.970   14.195   45.078   15.835 20.89120 21.26568 
1 1 1  -27    3   80 o  165.046   6.9508  192.988   15.541  196.204   22.344  189.974   21.629  166.316   9.9138  163.777   9.7454 2.538544 13.90166 
1 1 1  -27    3   81 o  120.466   7.4841  103.929   12.211  108.413   17.562   99.733   16.990  123.009   10.536  117.923   10.632 5.085899 14.96816 
1 1 1  -27    3   82 o   71.796   9.6803   39.031   9.2161   43.867   13.284   34.543   12.797   77.059   12.721   66.532   14.595 10.52736 19.36050 
1 1 1  -27    3   83 o  117.010   10.503   98.877   16.655   0.0000   0.0000   98.877   16.655  ?   ?   117.010   10.503      ?      ? 
1 1 1  -27    4    1 o  303.160   4.8674  623.122   19.967  637.599   29.175  610.369   27.384  306.456   7.0253  299.864   6.7389 6.591644 9.734864 
1 1 1  -27    4    2 o   95.958   4.9178   61.740   6.3336   67.923   9.8097   57.320   8.2939  100.019   7.2375   91.896   6.6601 8.122787 9.835561 
1 1 1  -27    4    3 o  428.092   5.8400  1244.30   33.853  1262.74   48.989  1227.45   46.835  431.108   8.3854  425.076   8.1305 6.032013 11.67991 
1 1 1  -27    4    4 o  376.896   6.5223  968.890   31.605  976.068   39.042  955.245   53.832  379.125   7.5992  374.667   10.603 4.458008 13.04460 
1 1 1  -27    4    5 o  292.160   5.7272  575.966   21.471  568.057   26.330  591.664   37.097  289.300   6.7162  295.021   9.2789 -5.721130 11.45449 
1 1 1  -27    4    6 o  252.300   5.4743  435.801   17.806  444.044   22.129  420.662   29.990  255.803   6.3837  248.798   8.8949 7.004578 10.94857 
1 1 1  -27    4    7 o  348.142   6.2419  822.568   27.926  820.341   34.390  826.880   47.847  347.609   7.3007  348.674   10.126 -1.064606 12.48375 
1 1 1  -27    4    8 o  315.964   5.9903  684.612   24.434  699.975   30.443  656.795   40.964  321.125   6.9957  310.802   9.7260 10.32278 11.98062 
1 1 1  -27    4    9 o  294.486   5.8366  596.457   22.226  615.037   27.813  563.625   36.972  301.027   6.8181  287.944   9.4751 13.08337 11.67327 
1 1 1  -27    4   10 o  227.394   5.3516  353.030   15.762  357.837   19.666  344.396   26.356  229.642   6.3194  225.147   8.6384 4.495514 10.70316 
1 1 1  -27    4   11 o  287.837   5.7611  563.476   21.426  565.257   26.585  560.176   36.192  288.592   6.7979  287.083   9.3031 1.508728 11.52212 
1 1 1  -27    4   12 o  278.837   5.4032  533.322   18.221  540.087   21.465  515.872   34.475  282.169   5.6134  275.504   9.2340 6.664673 10.80640 
1 1 1  -27    4   13 o  553.666   7.9997  2105.52   52.769  2126.84   61.593  2046.69  102.315  559.598   8.1222  547.735   13.784 11.86340 15.99938 
1 1 1  -27    4   14 o  556.457   8.5722  2133.92   61.907  2199.92   77.815  2020.12  102.177  568.765   10.096  544.149   13.856 24.61548 17.14438 
1 1 1  -27    4   15 o  273.084   5.8551  516.877   20.962  553.664   27.041  461.484   33.182  285.605   6.9868  260.563   9.3974 25.04202 11.71012 
1 1 1  -27    4   16 o  293.516   5.5522  593.159   19.716  603.450   23.260  566.887   37.164  298.253   5.7549  288.779   9.4967 9.474060 11.10434 
1 1 1  -27    4   17 o  220.153   4.4951  328.575   13.404  338.329   19.344  319.567   18.589  223.291   6.3928  217.015   6.3211 6.276001 8.990271 
1 1 1  -27    4   18 o  293.176   4.8577  583.500   19.295  573.356   27.380  593.508   27.197  290.638   6.9518  295.714   6.7868 -5.075806 9.715337 
1 1 1  -27    4   19 o  317.885   5.0208  685.770   21.622  693.623   31.007  678.337   30.168  319.651   7.1582  316.119   7.0422 3.532074 10.04151 
1 1 1  -27    4   20 o  351.224   5.2559  837.364   25.011  846.608   35.796  828.545   34.961  353.113   7.4805  349.335   7.3852 3.778137 10.51186 
1 1 1  -27    4   21 o  259.096   5.8111  454.230   19.220  450.749   23.477  461.303   33.466  257.705   6.7227  260.487   9.4806 -2.781891 11.62224 
1 1 1  -27    4   22 o  295.552   6.1288  601.009   23.159  616.951   28.589  570.578   39.500  301.471   6.9979  289.633   10.064 11.83813 12.25768 
1 1 1  -27    4   23 o  384.178   5.5372  1002.40   28.826  1001.99   40.984  1002.80   40.551  384.096   7.8739  384.260   7.7874 -0.1639099 11.07435 
1 1 1  -27    4   24 o  441.815   7.3192  1322.77   41.204  1343.91   71.999  1312.47   50.245  444.121   11.963  439.509   8.4362 4.612518 14.63845 
1 1 1  -27    4   25 o   93.982   6.6920   61.834   7.8306   55.425   13.812   64.871   9.5061   90.216   11.297   97.748   7.1765 -7.531898 13.38409 
1 1 1  -27    4   26 o  306.126   6.0870  635.644   23.722  640.411   41.443  633.320   28.931  306.823   9.9675  305.429   6.9899 1.394653 12.17410 
1 1 1  -27    4   27 o  296.514   4.9540  597.070   19.901  585.461   28.267  608.479   28.022  293.647   7.1035  299.381   6.9071 -5.733795 9.907958 
1 1 1  -27    4   28 o  225.552   4.6388  345.584   14.166  329.658   20.084  361.348   19.982  220.367   6.7256  230.737   6.3906 -10.37022 9.277613 
1 1 1  -27    4   29 o  211.623   4.6201  303.981   13.241  304.315   19.080  303.670   18.390  211.728   6.6499  211.517   6.4158 0.2106171 9.240294 
1 1 1  -27    4   30 o  240.314   4.7314  392.065   15.405  391.664   22.004  392.451   21.575  240.188   6.7602  240.439   6.6216 -0.2507019 9.462885 
1 1 1  -27    4   31 o  113.590   5.1436   87.719   7.9047   85.838   11.438   89.439   10.937  112.414   7.5081  114.766   7.0325 -2.351112 10.28727 
1 1 1  -27    4   32 o  224.794   4.7222  342.966   14.382  348.381   20.603  337.820   20.085  226.521   6.7118  223.066   6.6444 3.455261 9.444391 
1 1 1  -27    4   33 o  418.769   7.2401  1193.41   38.608  1195.70   67.308  1192.29   47.133  418.723   11.862  418.816   8.3047 -0.9231567E-01 14.48012 
1 1 1  -27    4   34 o  279.507   6.1305  528.305   21.676  539.377   38.457  523.149   26.241  281.467   10.082  277.547   6.9768 3.919617 12.26099 
1 1 1  -27    4   35 o  182.380   4.7530  226.322   11.711  206.038   16.562  246.610   16.563  174.173   7.0168  190.588   6.4130 -16.41577 9.505927 
1 1 1  -27    4   36 o  269.060   4.9240  491.732   17.949  489.949   25.643  493.444   25.133  268.574   7.0457  269.545   6.8806 -0.9715576 9.848075 
1 1 1  -27    4   37 f  208.612   4.7728  295.767   13.483  285.954   19.198  305.316   18.939  205.184   6.9046  212.040   6.5911 -6.855789 9.545507 
1 1 1  -27    4   38 o  254.174   4.9546  438.393   17.051  413.552   23.725  464.932   24.522  246.727   7.0958  261.622   6.9168 -14.89542 9.909230 
1 1 1  -27    4   39 o  214.032   6.6927  311.424   19.382  319.936   28.342  303.946   26.565  216.755   9.6490  211.309   9.2772 5.446030 13.38544 
1 1 1  -27    4   40 o  298.208   7.4178  606.238   29.963  606.936   41.780  605.499   42.995  298.412   10.332  298.004   10.647 0.4075928 14.83565 
1 1 1  -27    4   41 o  182.769   4.9139  226.723   12.164  236.234   17.521  217.874   16.901  186.467   6.9338  179.072   6.9647 7.395203 9.827779 
1 1 1  -27    4   42 o  309.016   6.2317  650.164   25.033  650.696   31.276  649.214   41.759  309.390   7.4598  308.641   9.9843 0.7488708 12.46333 
1 1 1  -27    4   43 o  246.461   5.8495  413.468   18.818  414.008   23.641  412.534   31.091  246.818   7.0681  246.105   9.3224 0.7126160 11.69892 
1 1 1  -27    4   44 o  183.645   4.8939  229.071   12.174  233.003   17.532  225.410   16.917  185.161   6.9871  182.129   6.8542 3.031754 9.787747 
1 1 1  -27    4   45 o  138.546   5.2032  130.696   9.7535  126.049   14.028  135.044   13.570  136.143   7.6036  140.949   7.1047 -4.806320 10.40635 
1 1 1  -27    4   46 o  215.525   4.9100  315.844   14.335  308.202   20.361  323.355   20.187  212.928   7.0564  218.122   6.8294 -5.194153 9.820041 
1 1 1  -27    4   47 f  356.589   5.5259  865.202   26.700  858.199   37.949  872.066   37.572  355.147   7.8851  358.031   7.7440 -2.884186 11.05184 
1 1 1  -27    4   48 o  176.993   5.0058  213.693   11.953  190.988   16.941  236.198   16.866  167.567   7.4605  186.419   6.6764 -18.85205 10.01168 
1 1 1  -27    4   49 o  140.246   6.5495  133.858   11.471  134.682   20.756  133.496   13.764  140.390   10.910  140.101   7.2495 0.2888641 13.09894 
1 1 1  -27    4   50 o  372.693   7.9460  945.517   40.131   0.0000   0.0000  945.517   40.131  ?   ?   372.693   7.9460      ?      ? 
1 1 1  -27    4   51 o  465.565   7.8512  1479.86   46.494  1489.59   81.284  1475.13   56.683  465.960   12.873  465.171   8.9920 0.7889404 15.70233 
1 1 1  -27    4   52 o  287.425   5.2038  562.146   20.266  560.565   28.871  563.682   28.456  287.016   7.4228  287.834   7.2953 -0.8177490 10.40767 
1 1 1  -27    4   53 o  349.762   5.5772  833.083   26.431  816.031   37.350  850.188   37.408  346.160   7.9622  353.364   7.8119 -7.203888 11.15446 
1 1 1  -27    4   54 o  257.897   5.2110  451.064   18.179  486.773   26.609  419.810   24.894  267.439   7.3421  248.355   7.3967 19.08360 10.42200 
1 1 1  -27    4   55 o  223.164   5.0810  338.853   15.357  340.913   22.126  336.938   21.332  223.804   7.2953  222.525   7.0741 1.278809 10.16196 
1 1 1  -27    4   56 o  236.395   6.3712  370.267   19.055  351.823   22.873  412.101   34.447  227.322   7.4250  245.469   10.355 -18.14803 12.74233 
1 1 1  -27    4   57 o  279.607   6.5570  532.481   23.247  529.977   28.244  537.741   40.930  278.970   7.4711  280.245   10.778 -1.275116 13.11393 
1 1 1  -27    4   58 o  309.579   5.3591  652.873   22.481  654.242   32.009  651.541   31.581  309.889   7.6223  309.268   7.5353 0.6211853 10.71826 
1 1 1  -27    4   59 o  190.631   5.1275  247.631   13.239  242.097   18.889  252.974   18.561  188.517   7.3938  192.745   7.1062 -4.227936 10.25508 
1 1 1  -27    4   60 o  232.508   5.1154  367.641   16.103  388.143   23.314  348.935   22.269  238.701   7.2073  226.315   7.2612 12.38585 10.23085 
1 1 1  -27    4   61 o  313.931   5.4450  671.879   23.157  649.773   32.460  694.790   33.046  308.658   7.7606  319.204   7.6396 -10.54535 10.88990 
1 1 1  -27    4   62 o  300.049   6.4183  615.953   25.052  616.227   31.333  615.466   41.713  300.543   7.6933  299.556   10.276 0.9866333 12.83654 
1 1 1  -27    4   63 o  157.533   5.3839  169.144   11.485  174.843   16.643  163.963   15.868  160.054   7.6732  155.011   7.5542 5.042786 10.76770 
1 1 1  -27    4   64 o  208.202   5.1817  296.043   14.608  284.893   20.778  306.941   20.542  204.286   7.5055  212.118   7.1462 -7.831436 10.36341 
1 1 1  -27    4   65 o  232.269   5.2083  368.757   16.376  357.037   23.443  379.927   22.886  228.611   7.5673  235.927   7.1584 -7.315903 10.41661 
1 1 1  -27    4   66 o  181.840   6.2631  225.743   14.592  229.975   25.214  223.611   17.893  182.763   10.180  180.916   7.2983 1.846909 12.52623 
1 1 1  -27    4   67 o  270.332   5.2672  498.482   19.270  528.095   28.123  472.274   26.457  277.874   7.4685  262.790   7.4293 15.08328 10.53440 
1 1 1  -27    4   68 o  285.458   6.6730  559.178   23.901  566.271   42.896  555.984   28.783  285.906   11.072  285.011   7.4523 0.8950195 13.34599 
1 1 1  -27    4   69 o  166.353   5.3252  189.704   11.997  186.635   17.183  192.623   16.758  165.001   7.6849  167.704   7.3738 -2.703156 10.65038 
1 1 1  -27    4   70 o  153.893   5.3911  162.391   11.238  169.210   16.089  155.895   15.704  157.062   7.5590  150.725   7.6887 6.337753 10.78214 
1 1 1  -27    4   71 o  217.939   6.6833  330.935   18.208  334.879   21.968  322.280   32.545  220.920   7.3380  214.959   11.172 5.960464 13.36666 
1 1 1  -27    4   72 o  175.697   5.2199  212.106   12.427  209.656   17.629  214.526   17.520  174.667   7.4478  176.727   7.3156 -2.060577 10.43972 
1 1 1  -27    4   73 o   68.857   8.1542   33.810   7.4332   32.623   10.706   34.915   10.328   67.072   12.230   70.643   10.789 -3.570694 16.30836 
1 1 1  -27    4   74 o   49.878   9.7998   18.390   6.8845   16.475   9.7127   20.324   9.7598   47.415   14.087   52.341   13.627 -4.925896 19.59951 
1 1 1  -27    4   75 o  146.688   5.2976  148.542   10.526  143.096   14.843  154.051   14.930  143.941   7.6095  149.436   7.3724 -5.495346 10.59514 
1 1 1  -27    4   76 o   98.062   6.3101   67.065   8.2930   80.459   11.994   54.797   11.479  107.657   8.2214   88.468   9.5749 19.18929 12.62022 
1 1 1  -27    4   77 o  115.909   6.6150   93.735   10.065   92.379   12.715   96.011   16.473  115.263   8.1402  116.555   10.429 -1.292351 13.23002 
1 1 1  -27    4   78 o   76.865   8.5100   44.356   8.2404   48.985   10.628   37.379   13.048   83.455   9.3974   70.274   14.191 13.18150 17.02006 
1 1 1  -27    4   79 o   90.859   8.3729   59.231   10.259   67.909   15.112   51.813   13.972   97.163   11.477   84.555   12.194 12.60831 16.74574 
1 1 1  -27    4   80 o   58.051   9.9379   24.053   8.8743   43.871   13.269   8.0137   11.937   77.384   12.653   38.719   15.328 38.66412 19.87584 
1 1 1  -27    4   81 o  169.501   10.203  205.771   23.437  205.771   23.437   0.0000   0.0000  169.501   10.203  ?   ?       ?      ? 
1 1 1  -27    4   83 o   42.702   15.402   13.223   11.406   0.0000   0.0000   13.223   11.406  ?   ?    42.702   15.402      ?      ? 
1 1 1  -27    5    1 o  106.438   7.1932   76.935   10.375   76.935   10.375   0.0000   0.0000  106.438   7.1932  ?   ?       ?      ? 
1 1 1  -27    5    2 o  227.201   5.4271  342.227   16.016  322.784   19.740  379.683   27.399  218.054   6.6805  236.348   8.5547 -18.29427 10.85411 
1 1 1  -27    5    3 o  411.740   6.5983  1150.80   36.816  1150.80   36.816   0.0000   0.0000  411.740   6.5983  ?   ?       ?      ? 
1 1 1  -27    5    4 o  344.494   5.9118  830.437   24.611  861.971   29.181  752.732   45.807  356.401   6.0419  332.588   10.163 23.81259 11.82367 
1 1 1  -27    5    5 f  262.678   5.1996  471.220   16.522  474.507   19.437  462.658   31.369  264.473   5.4233  260.884   8.8731 3.588837 10.39925 
1 1 1  -27    5    6 o  252.960   5.1942  444.303   15.927  457.172   18.870  412.434   29.696  259.602   5.3639  246.319   8.8965 13.28267 10.38844 
1 1 1  -27    5    7 o  316.434   5.6682  694.494   21.668  712.742   25.601  648.417   40.682  324.108   5.8289  308.759   9.7231 15.34998 11.33645 
1 1 1  -27    5    8 o  405.567   6.4373  1127.40   31.298  1138.17   36.650  1098.40   60.151  409.492   6.6046  401.642   11.052 7.850494 12.87467 
1 1 1  -27    5    9 o  362.385   6.0567  903.605   26.423  917.248   31.062  867.882   50.262  367.646   6.2347  357.124   10.386 10.52191 12.11343 
1 1 1  -27    5   10 o  370.649   6.1373  945.115   27.385  959.098   32.190  908.479   52.103  375.933   6.3186  365.364   10.523 10.56876 12.27454 
1 1 1  -27    5   11 o  466.442   7.0757  1501.62   39.616  1527.57   46.521  1433.13   75.567  474.323   7.2376  458.561   12.160 15.76154 14.15130 
1 1 1  -27    5   12 o  579.600   8.2512  2282.60   56.603  2276.44   65.623  2300.50  111.874  578.830   8.3661  580.369   14.225 -1.538574 16.50245 
1 1 1  -27    5   13 o  339.579   5.9050  799.496   24.262  820.179   28.691  747.580   45.456  347.664   6.0898  331.494   10.119 16.17001 11.80998 
1 1 1  -27    5   14 o  344.997   5.9110  814.378   24.575  821.269   28.856  796.185   46.889  347.893   6.1208  342.102   10.114 5.791016 11.82208 
1 1 1  -27    5   15 o  576.531   8.7602  2255.68   64.910  2234.09   79.825  2297.82  111.520  573.018   10.280  580.043   14.188 -7.024658 17.52042 
1 1 1  -27    5   16 o  470.892   7.6176  1516.13   46.539  1533.33   58.159  1485.51   77.599  474.941   9.0365  466.842   12.266 8.099487 15.23522 
1 1 1  -27    5   17 o  366.813   6.5254  919.376   31.117  931.447   39.001  898.231   51.618  370.323   7.7717  363.303   10.484 7.020020 13.05076 
1 1 1  -27    5   18 o  350.983   6.3959  843.769   29.252  861.373   36.852  813.782   48.096  356.134   7.6359  345.832   10.263 10.30237 12.79187 
1 1 1  -27    5   19 o  406.119   7.9374  1121.68   43.646  1159.52   63.343  1087.47   60.226  412.613   11.328  399.626   11.121 12.98669 15.87489 
1 1 1  -27    5   20 o  318.302   6.1191  685.441   24.795  697.701   43.429  679.512   30.201  320.241   10.007  316.363   7.0446 3.878510 12.23817 
1 1 1  -27    5   21 o  255.262   4.7026  442.431   16.256  438.302   23.365  446.306   22.631  254.098   6.7856  256.426   6.5127 -2.328491 9.405263 
1 1 1  -27    5   22 o  255.179   5.9079  453.011   19.286  477.142   24.006  409.094   32.386  265.122   6.6819  245.235   9.7451 19.88708 11.81586 
1 1 1  -27    5   23 o  352.178   6.5562  847.195   29.542  855.068   36.326  831.818   50.765  354.818   7.5549  349.539   10.717 5.278931 13.11240 
1 1 1  -27    5   24 o  427.170   5.8881  1237.81   34.050  1289.77   49.534  1191.26   46.883  435.644   8.3906  418.695   8.2630 16.94882 11.77621 
1 1 1  -27    5   25 o  215.043   4.5927  313.553   13.376  323.839   19.337  304.116   18.521  218.419   6.5331  211.668   6.4569 6.751205 9.185487 
1 1 1  -27    5   26 o  112.041   5.0133   84.915   7.5968   92.023   11.134   78.723   10.391  116.412   7.0576  107.670   7.1220 8.742943 10.02663 
1 1 1  -27    5   27 o  172.754   4.5827  202.737   10.719  198.019   15.365  207.210   14.961  170.786   6.6390  174.721   6.3188 -3.934555 9.165327 
1 1 1  -27    5   28 o  171.540   4.6231  200.033   10.731  189.370   15.271  210.435   15.083  167.006   6.7478  176.072   6.3215 -9.066147 9.246274 
1 1 1  -27    5   29 o  151.010   4.7197  155.119   9.6373  144.383   13.700  165.635   13.560  145.815   6.9332  156.204   6.4058 -10.38823 9.439429 
1 1 1  -27    5   30 o  189.406   4.6568  243.839   11.937  236.866   17.171  250.361   16.606  186.770   6.7842  192.041   6.3810 -5.270477 9.313564 
1 1 1  -27    5   31 o  192.592   4.6906  251.799   12.229  252.944   17.719  250.758   16.900  193.001   6.7748  192.183   6.4891 0.8184357 9.381201 
1 1 1  -27    5   32 o  224.838   4.7341  342.881   14.409  351.494   20.952  335.152   19.848  227.506   6.7960  222.170   6.5923 5.336685 9.468104 
1 1 1  -27    5   33 o  330.470   6.5138  739.277   27.195  753.707   48.347  732.599   32.891  332.569   10.728  328.372   7.3915 4.197449 13.02761 
1 1 1  -27    5   34 o  198.954   8.7652  269.251   23.632   0.0000   0.0000  269.251   23.632  ?   ?   198.954   8.7652      ?      ? 
1 1 1  -27    5   35 o  296.018   6.2464  601.458   23.529  580.487   40.685  611.997   28.841  291.893   10.285  300.144   7.0908 -8.250549 12.49276 
1 1 1  -27    5   36 o  147.107   4.9802  147.513   9.8889  139.991   14.406  154.216   13.599  143.528   7.4068  150.686   6.6596 -7.157898 9.960422 
1 1 1  -27    5   37 o  426.714   5.9972  1237.18   34.657  1279.32   50.121  1198.57   47.974  433.660   8.5288  419.769   8.4337 13.89072 11.99449 
1 1 1  -27    5   38 o  521.341   6.8179  1850.65   48.160  1813.53   67.427  1889.30   68.811  516.006   9.6427  526.676   9.6412 -10.67004 13.63571 
1 1 1  -27    5   39 o  222.651   5.7389  335.608   16.697  331.361   20.934  343.033   27.681  220.832   6.9953  224.470   9.0999 -3.637619 11.47788 
1 1 1  -27    5   40 o  297.990   7.3310  603.577   29.604  603.577   29.604   0.0000   0.0000  297.990   7.3310  ?   ?       ?      ? 
1 1 1  -27    5   41 o  331.687   5.3263  747.825   23.935  755.770   34.286  740.273   33.429  333.396   7.5888  329.978   7.4758 3.418732 10.65257 
1 1 1  -27    5   42 o  359.990   5.5177  880.781   26.905  901.661   38.776  861.396   37.362  364.092   7.8591  355.889   7.7470 8.202942 11.03542 
1 1 1  -27    5   43 o  271.528   5.0256  501.238   18.488  497.272   26.362  505.077   25.935  270.460   7.1928  272.595   7.0207 -2.135651 10.05114 
1 1 1  -27    5   44 o  316.642   5.2577  681.879   22.557  677.620   32.137  686.015   31.667  315.655   7.5130  317.628   7.3572 -1.973480 10.51540 
1 1 1  -27    5   45 o  387.052   5.7404  1019.52   30.103  1022.63   43.021  1016.53   42.138  387.616   8.1901  386.488   8.0455 1.128540 11.48081 
1 1 1  -27    5   46 o  431.585   6.0849  1268.69   35.584  1250.24   50.405  1287.01   50.242  428.438   8.6816  434.732   8.5283 -6.293732 12.16973 
1 1 1  -27    5   47 o  250.577   6.2124  431.421   19.638  417.655   34.543  437.995   23.871  247.340   10.306  253.813   6.9403 -6.473022 12.42483 
1 1 1  -27    5   48 o  194.835   6.2427  262.755   15.264  247.654   26.912  269.917   18.534  190.424   10.429  199.246   6.8644 -8.822189 12.48545 
1 1 1  -27    5   49 o  269.542   5.1278  494.536   18.718  478.155   26.624  510.547   26.321  265.101   7.4110  273.982   7.0892 -8.880066 10.25568 
1 1 1  -27    5   50 o  351.587   6.8112  844.656   30.463  840.402   53.107  846.742   37.190  350.491   11.181  352.683   7.7815 -2.191589 13.62245 
1 1 1  -27    5   51 o  256.309   6.2184  445.063   20.181  455.720   35.755  440.081   24.448  258.273   10.216  254.345   7.0931 3.927856 12.43688 
1 1 1  -27    5   52 o  172.067   5.2629  201.492   12.254  201.944   17.829  201.088   16.869  172.230   7.6389  171.905   7.2414 0.3242950 10.52571 
1 1 1  -27    5   53 o  333.502   5.4822  757.233   24.769  764.608   35.531  750.261   34.547  335.066   7.8252  331.939   7.6802 3.127106 10.96447 
1 1 1  -27    5   54 o  193.980   5.0986  256.427   13.378  249.742   19.357  262.541   18.511  191.527   7.4581  196.434   6.9541 -4.907684 10.19714 
1 1 1  -27    5   55 o  205.808   5.0826  288.111   14.166  293.670   20.485  283.016   19.610  207.697   7.2781  203.919   7.0964 3.778702 10.16512 
1 1 1  -27    5   56 o  143.206   6.9056  134.410   12.506  125.048   14.951  156.215   22.818  135.436   8.1462  150.975   11.153 -15.53838 13.81117 
1 1 1  -27    5   57 o  226.865   5.0826  350.520   15.619  348.355   22.373  352.579   21.816  226.164   7.2999  227.567   7.0742 -1.402451 10.16525 
1 1 1  -27    5   58 o  234.595   5.1263  374.840   16.286  375.715   23.484  374.030   22.604  234.836   7.3795  234.354   7.1175 0.4826202 10.25259 
1 1 1  -27    5   59 f  198.765   5.1616  269.284   13.893  266.883   19.989  271.527   19.322  197.884   7.4542  199.646   7.1417 -1.762268 10.32327 
1 1 1  -27    5   60 o   93.428   7.7452   60.141   9.5155   60.808   12.120   59.068   15.364   94.260   9.4881   92.595   12.245 1.665230 15.49038 
1 1 1  -27    5   61 o  218.622   6.0011  321.524   17.096  308.814   21.231  344.962   28.830  212.803   7.3622  224.441   9.4790 -11.63812 12.00224 
1 1 1  -27    5   62 o  146.614   5.4509  147.152   10.785  131.910   15.261  162.361   15.244  138.950   8.1046  154.278   7.2913 -15.32802 10.90176 
1 1 1  -27    5   63 o  154.968   5.3568  164.134   11.239  158.876   16.055  169.188   15.739  152.501   7.7690  157.435   7.3772 -4.934250 10.71355 
1 1 1  -27    5   64 o  267.436   5.2264  488.593   18.937  483.690   26.993  493.345   26.573  266.088   7.4859  268.785   7.2955 -2.697693 10.45285 
1 1 1  -27    5   65 o  231.381   6.1451  353.877   18.049  404.862   32.585  331.312   21.678  242.557   9.9135  220.206   7.2645 22.35051 12.29025 
1 1 1  -27    5   66 o  210.485   7.1090  302.795   20.277   0.0000   0.0000  302.795   20.277  ?   ?   210.485   7.1090      ?      ? 
1 1 1  -27    5   67 o  143.551   7.3217  146.929   12.568  132.438   23.667  152.620   14.832  137.764   12.677  149.338   7.3290 -11.57434 14.64334 
1 1 1  -27    5   68 o  146.057   5.5586  145.738   10.978  155.898   16.192  137.095   14.934  150.733   7.9269  141.380   7.7946 9.352539 11.11720 
1 1 1  -27    5   69 o  149.013   5.4436  152.556   10.978  148.728   15.805  156.126   15.261  147.147   7.9259  150.878   7.4640 -3.731186 10.88721 
1 1 1  -27    5   70 o  110.109   6.1529   83.614   9.1755   87.578   13.077   79.771   12.877  112.710   8.5619  107.509   8.8390 5.201248 12.30583 
1 1 1  -27    5   71 o  103.612   7.9412   70.030   10.442   61.626   12.441   90.059   19.207   94.216   9.7445  113.007   12.542 -18.79165 15.88243 
1 1 1  -27    5   72 f  120.684   5.7436  100.250   9.3662  111.461   13.602   90.140   12.917  127.144   7.8943  114.223   8.3447 12.92091 11.48713 
1 1 1  -27    5   73 o  174.551   5.1890  209.263   12.248  229.560   17.807  191.044   16.872  182.615   7.1959  166.488   7.4781 16.12724 10.37802 
1 1 1  -27    5   74 o  141.914   5.4111  139.083   10.404  141.562   14.920  136.738   14.514  143.129   7.6924  140.698   7.6123 2.431671 10.82219 
1 1 1  -27    5   75 o   53.523   9.3168   21.609   6.8791   14.932   9.8372   27.999   9.6234   45.259   14.318   61.788   11.925 -16.52884 18.63359 
1 1 1  -27    5   76 o   91.155   7.5250   60.082   8.9058   64.011   11.350   53.787   14.366   95.753   8.7471   86.558   12.247 9.195732 15.05007 
1 1 1  -27    5   77 o   76.190   8.7535   43.866   8.3607   48.312   10.695   36.878   13.408   82.835   9.5272   69.544   14.688 13.29101 17.50698 
1 1 1  -27    5   78 o   47.800   9.7172   17.850   7.2554   25.025   9.4094   7.3293   11.395   57.783   12.389   37.816   14.974 19.96635 19.43438 
1 1 1  -27    5   79 o   54.384   10.653   23.435   8.7495   12.137   12.919   33.009   11.892   43.060   16.237   65.709   13.795 -22.64917 21.30553 
1 1 1  -27    5   80 o   40.367   10.826   9.9432   8.1987   13.876   12.176   6.6812   11.089   44.088   15.911   36.645   14.686 7.442322 21.65283 
1 1 1  -27    5   81 o   66.950   14.464   35.056   12.739   0.0000   0.0000   35.056   12.739  ?   ?    66.950   14.464      ?      ? 
1 1 1  -27    5   82 o   92.884   11.623   63.369   14.630   0.0000   0.0000   63.369   14.630  ?   ?    92.884   11.623      ?      ? 
1 1 1  -27    6    1 o  210.666   5.5265  303.019   14.118  298.367   26.716  304.821   16.630  209.400   9.4147  211.932   5.7906 -2.532227 11.05293 
1 1 1  -27    6    2 o  100.214   5.1370   69.572   6.7948   75.536   8.9065   61.267   10.510  105.487   6.2305   94.940   8.1691 10.54698 10.27393 
1 1 1  -27    6    3 o  112.193   5.1181   86.411   7.6094   90.323   9.9132   80.800   11.873  115.349   6.3419  109.037   8.0350 6.311913 10.23627 
1 1 1  -27    6    4 o  314.084   5.8596  664.984   23.866  651.840   29.579  689.507   40.402  309.811   7.0453  318.357   9.3650 -8.546387 11.71923 
1 1 1  -27    6    5 o  397.695   11.587  1078.23   62.449  1078.23   62.449   0.0000   0.0000  397.695   11.587  ?   ?       ?      ? 
1 1 1  -27    6    6 o  416.598   8.1563  1179.49   46.046  1179.49   46.046   0.0000   0.0000  416.598   8.1563  ?   ?       ?      ? 
1 1 1  -27    6    7 o  219.229   5.2314  325.872   15.032  324.192   18.963  328.713   24.660  218.537   6.4032  219.920   8.2746 -1.383209 10.46278 
1 1 1  -27    6    8 o  237.262   5.4165  384.651   16.830  391.352   21.329  373.594   27.398  240.100   6.5553  234.425   8.6245 5.674332 10.83295 
1 1 1  -27    6    9 o  596.191   8.9433  2423.24   68.510  2418.50   84.393  2432.38  117.325  596.004   10.449  596.378   14.517 -0.3742065 17.88661 
1 1 1  -27    6   10 o  453.949   7.3695  1417.54   43.408  1455.91   54.488  1350.88   71.815  462.775   8.6886  445.123   11.906 17.65216 14.73896 
1 1 1  -27    6   11 o  331.346   5.7586  747.722   23.070  749.749   27.103  742.391   43.957  332.381   6.0173  330.310   9.8202 2.070831 11.51718 
1 1 1  -27    6   12 o  235.823   5.0643  375.971   14.634  373.727   17.301  381.613   27.434  234.703   5.4395  236.942   8.5440 -2.238525 10.12858 
1 1 1  -27    6   13 o  263.254   5.2518  472.375   16.881  474.579   19.965  466.846   31.620  264.474   5.5705  262.034   8.9048 2.439697 10.50362 
1 1 1  -27    6   14 o  265.998   5.3433  491.674   17.381  507.332   20.728  454.580   31.903  273.447   5.5937  258.549   9.1057 14.89786 10.68656 
1 1 1  -27    6   15 o  242.114   5.1483  398.836   15.246  399.810   18.040  396.404   28.517  242.753   5.4840  241.474   8.7147 1.278595 10.29663 
1 1 1  -27    6   16 o  337.942   6.2782  780.694   27.764  793.121   35.132  760.025   45.309  341.700   7.5870  334.184   10.005 7.516479 12.55638 
1 1 1  -27    6   17 o  450.573   7.3859  1390.49   43.289  1412.64   54.342  1352.03   71.610  455.826   8.7974  445.320   11.866 10.50589 14.77182 
1 1 1  -27    6   18 o  597.186   8.5021  2464.75   60.780  2503.54   71.245  2361.04  116.493  606.848   8.6635  587.524   14.632 19.32404 17.00415 
1 1 1  -27    6   19 o  239.202   5.3071  401.165   15.587  420.071   18.721  358.436   28.145  248.821   5.5521  229.582   9.0463 19.23845 10.61422 
1 1 1  -27    6   20 o  229.336   5.1312  356.612   14.508  355.770   17.241  358.653   26.856  228.985   5.5561  229.687   8.6282 -0.7016449 10.26235 
1 1 1  -27    6   21 o  412.148   6.5791  1171.56   32.717  1191.58   38.535  1119.84   61.923  418.922   6.7880  405.374   11.272 13.54822 13.15829 
1 1 1  -27    6   22 o  378.034   5.4979  971.043   28.163  965.100   39.989  976.893   39.671  376.879   7.8299  379.189   7.7203 -2.310364 10.99590 
1 1 1  -27    6   23 f  319.780   6.4310  706.743   26.180  729.875   32.239  661.951   44.862  327.808   7.2573  311.751   10.619 16.05734 12.86205 
1 1 1  -27    6   24 o  113.669   4.9568   87.657   7.6254   89.433   11.115   86.077   10.481  114.751   7.1480  112.587   6.8693 2.163460 9.913683 
1 1 1  -27    6   25 o   86.760   5.9379   53.042   6.7141   38.271   9.8362   65.928   9.1873   74.989   9.6794   98.531   6.8807 -23.54170 11.87579 
1 1 1  -27    6   26 o  222.305   4.6619  335.864   14.031  324.729   20.052  346.545   19.640  218.679   6.7665  225.930   6.4147 -7.251297 9.323868 
1 1 1  -27    6   27 o  268.455   4.8563  489.708   17.656  473.530   25.084  505.596   24.858  264.045   7.0102  272.865   6.7225 -8.819855 9.712589 
1 1 1  -27    6   28 o  257.700   4.8182  450.546   16.813  461.987   24.369  440.152   23.226  260.812   6.8948  254.588   6.7321 6.223877 9.636344 
1 1 1  -27    6   29 f  219.950   5.5160  326.549   15.946  319.800   20.125  337.932   26.136  216.995   6.8438  222.905   8.6525 -5.909561 11.03198 
1 1 1  -27    6   30 o  178.014   5.6490  212.622   12.813  223.585   22.574  207.411   15.563  181.262   9.1902  174.767   6.5715 6.494766 11.29798 
1 1 1  -27    6   31 o  163.919   4.7368  183.079   10.485  172.966   15.200  192.259   14.482  159.567   7.0294  168.271   6.3509 -8.703659 9.473499 
1 1 1  -27    6   32 o  236.221   4.7723  378.891   15.265  381.810   22.051  376.205   21.154  237.084   6.8635  235.357   6.6325 1.727112 9.544543 
1 1 1  -27    6   33 o  106.444   7.0500   79.224   9.0514   72.649   16.944   81.849   10.707  103.135   12.124  109.754   7.1989 -6.618210 14.09991 
1 1 1  -27    6   34 o  323.223   6.5055  716.961   26.646  694.735   46.491  727.834   32.516  319.186   10.748  327.259   7.3321 -8.073669 13.01099 
1 1 1  -27    6   35 o  464.245   7.5895  1463.07   45.374  1448.21   55.916  1491.73   77.643  461.269   8.9454  467.220   12.263 -5.951050 15.17901 
1 1 1  -27    6   36 o  331.114   6.3452  746.419   27.320  746.639   34.142  746.027   45.554  331.399   7.6024  330.829   10.161 0.5706787 12.69031 
1 1 1  -27    6   37 f  285.609   5.0740  553.886   19.627  569.077   28.356  539.915   27.194  289.358   7.2315  281.860   7.1196 7.498199 10.14808 
1 1 1  -27    6   38 o  396.927   5.7729  1071.78   31.045  1074.51   44.403  1069.18   43.422  397.405   8.2451  396.449   8.0823 0.9556580 11.54580 
1 1 1  -27    6   39 o  253.080   4.9472  435.516   16.957  427.295   24.253  443.378   23.717  250.727   7.1381  255.433   6.8517 -4.706451 9.894355 
1 1 1  -27    6   40 o  243.332   6.2449  408.804   19.311  420.048   23.708  386.635   33.289  248.593   7.0375  238.070   10.318 10.52237 12.48986 
1 1 1  -27    6   41 o  273.204   5.0419  507.522   18.658  503.717   26.740  511.134   26.047  272.190   7.2494  274.218   7.0094 -2.027161 10.08389 
1 1 1  -27    6   42 o  250.094   4.9515  425.714   16.755  399.814   23.759  451.337   23.631  242.490   7.2302  257.697   6.7670 -15.20677 9.902957 
1 1 1  -27    6   43 o  338.175   5.3909  778.175   24.698  758.168   34.993  798.034   34.863  333.823   7.7354  342.527   7.5108 -8.704132 10.78189 
1 1 1  -27    6   44 o  173.776   6.2185  211.594   13.504  190.042   23.669  221.994   16.442  166.833   10.469  180.720   6.7139 -13.88766 12.43704 
1 1 1  -27    6   45 o  218.516   6.1353  331.296   16.881  308.636   29.486  342.345   20.590  212.623   10.234  224.408   6.7706 -11.78424 12.27061 
1 1 1  -27    6   46 o  107.992   7.1310   78.943   9.5745   81.307   17.558   77.943   11.422  108.975   11.890  107.008   7.8768 1.967262 14.26207 
1 1 1  -27    6   47 o  158.299   5.0966  170.879   10.905  162.314   15.733  178.798   15.128  154.444   7.5170  162.153   6.8846 -7.708954 10.19329 
1 1 1  -27    6   48 o  168.217   5.0493  191.907   11.491  202.778   16.859  182.476   15.703  172.647   7.2061  163.788   7.0750 8.858444 10.09869 
1 1 1  -27    6   49 o  159.609   5.2550  174.116   11.314  162.840   16.454  184.228   15.582  154.646   7.8514  164.572   6.9868 -9.926376 10.50996 
1 1 1  -27    6   50 o  186.687   6.3566  242.809   14.994  223.129   25.917  252.710   18.383  180.641   10.587  192.733   7.0384 -12.09135 12.71324 
1 1 1  -27    6   51 o  182.417   5.1283  225.696   12.649  237.780   18.661  215.424   17.205  186.906   7.3676  177.928   7.1355 8.977997 10.25658 
1 1 1  -27    6   52 o  111.146   5.9845   84.423   8.9728   81.847   13.219   86.625   12.219  109.533   8.9055  112.758   7.9967 -3.225899 11.96892 
1 1 1  -27    6   53 o  239.795   5.0710  391.649   16.466  383.353   23.597  399.522   22.987  237.293   7.3381  242.297   7.0008 -5.004349 10.14193 
1 1 1  -27    6   54 o  124.954   5.7402  107.260   9.6429   96.644   14.060  116.688   13.250  119.013   8.7178  130.895   7.4700 -11.88148 11.48045 
1 1 1  -27    6   55 f  188.151   5.1552  240.267   13.119  261.683   19.149  221.328   18.008  196.035   7.2084  180.266   7.3719 15.76851 10.31049 
1 1 1  -27    6   56 o   81.102   9.8896   46.779   9.8340   47.798   11.960   44.651   17.277   83.526   10.567   78.679   16.720 4.846481 19.77910 
1 1 1  -27    6   57 o  162.512   5.2757  179.943   11.602  180.861   16.884  179.121   15.970  162.880   7.6493  162.143   7.2679 0.7371674 10.55150 
1 1 1  -27    6   58 o  215.537   5.9787  311.220   16.858  295.321   21.002  340.017   28.265  208.136   7.4462  222.939   9.3558 -14.80359 11.95730 
1 1 1  -27    6   59 o  254.883   6.1405  443.727   20.412  442.835   25.597  445.286   33.828  254.833   7.4122  254.932   9.7919 -0.9942627E-01 12.28096 
1 1 1  -27    6   60 o  251.895   5.1502  432.408   17.569  442.046   25.401  423.569   24.326  254.565   7.3633  249.224   7.2027 5.341064 10.30040 
1 1 1  -27    6   61 o  165.932   5.2361  188.337   11.746  176.123   16.774  200.089   16.454  160.592   7.7077  171.273   7.0893 -10.68141 10.47221 
1 1 1  -27    6   62 o   72.466   8.1277   36.569   7.7362   43.552   11.356   30.522   10.568   79.544   10.535   65.387   12.380 14.15763 16.25550 
1 1 1  -27    6   63 o  219.318   5.1133  328.435   15.186  331.046   21.940  326.034   21.040  220.124   7.3552  218.512   7.1054 1.612640 10.22666 
1 1 1  -27    6   64 o   61.266   9.2821   27.328   7.4478   24.713   11.086   29.480   10.055   58.305   14.170   64.227   11.994 -5.921288 18.56425 
1 1 1  -27    6   65 o  160.158   7.3072  175.462   15.859   0.0000   0.0000  175.462   15.859  ?   ?   160.158   7.3072      ?      ? 
1 1 1  -27    6   66 o  260.788   5.2759  466.037   18.622  460.137   26.911  471.459   25.795  259.126   7.6638  262.449   7.2530 -3.322632 10.55173 
1 1 1  -27    6   67 o  152.374   5.4313  158.450   11.181  176.482   16.436  142.918   15.254  160.431   7.5602  144.316   7.8000 16.11461 10.86266 
1 1 1  -27    6   68 o   47.068   9.8126   15.939   6.9528   10.012   10.162   21.154   9.5335   40.343   14.540   53.793   13.181 -13.44975 19.62527 
1 1 1  -27    6   69 o  253.887   5.2068  442.678   17.903  440.114   25.739  445.080   24.918  253.110   7.5040  254.664   7.2203 -1.553482 10.41362 
1 1 1  -27    6   70 o  290.282   6.7970  591.659   25.097  605.219   30.838  565.062   43.189  296.536   7.6740  284.028   11.221 12.50812 13.59400 
1 1 1  -27    6   71 o  248.407   5.2497  424.736   17.670  431.997   25.197  417.709   24.786  250.496   7.4227  246.317   7.4257 4.178848 10.49936 
1 1 1  -27    6   72 o  151.187   5.3541  157.305   10.952  170.151   15.898  145.703   15.109  157.083   7.4684  145.290   7.6739 11.79291 10.70820 
1 1 1  -27    6   73 o  114.654   5.8601   91.432   9.0765   84.563   12.967   98.030   12.709  110.293   8.6760  119.016   7.8798 -8.722176 11.72023 
1 1 1  -27    6   74 o  123.740   5.6457  105.564   9.4072  123.539   13.854   90.184   12.814  133.571   7.6537  113.908   8.3016 19.66345 11.29141 
1 1 1  -27    6   75 o   31.785   9.3662   2.1692   6.8708   5.8431   9.0080  -2.9414   10.624   34.225   13.387   29.345   13.103 4.880302 18.73248 
1 1 1  -27    6   76 o   51.251   10.113   20.386   7.3854   23.566   9.7059   16.013   11.382   55.907   13.049   46.595   15.454 9.311665 20.22627 
1 1 1  -27    6   77 o   66.989   8.9005   33.305   7.7191   33.786   9.9491   32.578   12.235   68.769   10.676   65.209   14.244 3.559875 17.80102 
1 1 1  -27    6   78 o   76.661   9.6296   44.518   9.6896   39.482   14.088   49.040   13.349   71.244   15.063   82.079   12.001 -10.83458 19.25911 
1 1 1  -27    6   79 o   92.643   8.3865   62.875   10.483   59.916   15.285   65.504   14.405   90.205   12.504   95.082   11.180 -4.877159 16.77304 
1 1 1  -27    6   80 o  153.492   9.8420  168.792   20.472   0.0000   0.0000  168.792   20.472  ?   ?   153.492   9.8420      ?      ? 
1 1 1  -27    6   81 o  108.400   10.684   85.327   15.695   0.0000   0.0000   85.327   15.695  ?   ?   108.400   10.684      ?      ? 
1 1 1  -27    6   82 o   58.522   14.827   27.493   11.773   0.0000   0.0000   27.493   11.773  ?   ?    58.522   14.827      ?      ? 
1 1 1  -27    7    1 o  367.759   6.4032  920.466   30.816  920.650   38.840  920.152   50.629  368.018   7.7880  367.501   10.166 0.5168762 12.80643 
1 1 1  -27    7    2 o  322.496   5.5529  708.059   21.712  709.401   25.547  704.568   41.206  323.281   5.8314  321.710   9.4518 1.571014 11.10589 
1 1 1  -27    7    3 o  322.750   5.4780  681.592   21.151  653.727   24.447  764.538   42.178  310.342   5.8130  335.158   9.2866 -24.81665 10.95591 
1 1 1  -27    7    4 o  239.864   4.8772  382.809   14.346  372.501   16.887  409.541   27.195  234.299   5.3185  245.429   8.1769 -11.12947 9.754359 
1 1 1  -27    7    5 o  291.974   5.3462  581.922   19.026  585.349   22.484  573.281   35.708  293.682   5.6495  290.266   9.0780 3.415985 10.69235 
1 1 1  -27    7    6 o  418.739   6.7144  1190.77   38.101  1190.77   38.101   0.0000   0.0000  418.739   6.7144  ?   ?       ?      ? 
1 1 1  -27    7    7 o  285.830   5.6502  554.451   21.885  554.451   21.885   0.0000   0.0000  285.830   5.6502  ?   ?       ?      ? 
1 1 1  -27    7    8 o  428.702   6.6091  1246.40   33.933  1241.54   39.581  1259.89   65.916  427.562   6.8313  429.842   11.316 -2.280029 13.21826 
1 1 1  -27    7    9 o  444.897   6.7840  1338.05   36.037  1327.89   41.925  1366.78   70.515  442.160   6.9971  447.635   11.625 -5.475281 13.56798 
1 1 1  -27    7   10 o  510.816   9.5022  1775.87   65.777  1775.87   65.777   0.0000   0.0000  510.816   9.5022  ?   ?       ?      ? 
1 1 1  -27    7   11 o  265.713   5.5993  479.124   20.162  479.124   20.162   0.0000   0.0000  265.713   5.5993  ?   ?       ?      ? 
1 1 1  -27    7   12 o  216.858   5.0324  324.210   13.424  331.130   16.026  307.935   24.578  220.911   5.3534  212.805   8.5229 8.106445 10.06473 
1 1 1  -27    7   13 o  170.342   4.9571  202.823   10.462  212.155   12.642  182.541   18.638  176.829   5.2758  163.854   8.3938 12.97557 9.914124 
1 1 1  -27    7   14 o  174.725   4.7993  205.014   10.512  201.355   12.602  213.380   19.057  172.264   5.3984  177.187   7.9367 -4.922333 9.598692 
1 1 1  -27    7   15 f  222.411   5.0437  338.801   13.901  343.029   16.644  329.047   25.280  224.839   5.4626  219.982   8.4803 4.856369 10.08736 
1 1 1  -27    7   16 o  267.496   5.2872  483.957   17.333  481.022   20.495  491.330   32.483  266.233   5.6807  268.759   8.9189 -2.525940 10.57434 
1 1 1  -27    7   17 o  507.834   7.9915  1749.06   52.422  1727.80   64.791  1789.36   89.203  503.859   9.4891  511.810   12.861 -7.951172 15.98304 
1 1 1  -27    7   18 o  450.807   6.9016  1376.94   37.197  1369.61   43.330  1397.48   72.523  449.032   7.1208  452.583   11.825 -3.550507 13.80329 
1 1 1  -27    7   19 o  423.160   6.6775  1233.01   34.150  1250.99   40.236  1186.70   64.575  429.174   6.9183  417.145   11.423 12.02911 13.35505 
1 1 1  -27    7   20 o  280.307   5.4350  532.602   18.684  530.779   22.117  537.146   34.916  279.647   5.8363  280.967   9.1703 -1.320343 10.86999 
1 1 1  -27    7   21 o  416.416   6.6056  1187.47   33.196  1196.48   39.007  1163.79   63.213  419.722   6.8581  413.110   11.292 6.611572 13.21118 
1 1 1  -27    7   22 o  290.260   5.6042  586.618   19.972  607.118   23.904  539.208   36.352  299.072   5.8980  281.448   9.5312 17.62357 11.20845 
1 1 1  -27    7   23 o  239.269   5.6985  388.555   18.477  388.555   18.477   0.0000   0.0000  239.269   5.6985  ?   ?       ?      ? 
1 1 1  -27    7   24 o  315.703   6.0978  674.473   24.973  666.120   31.018  689.866   42.106  313.109   7.3102  318.296   9.7617 -5.186340 12.19554 
1 1 1  -27    7   25 o  322.348   7.0988  708.254   30.987  690.840   44.297  724.941   43.363  318.427   10.266  326.270   9.8076 -7.843170 14.19762 
1 1 1  -27    7   26 o  381.498   5.5970  988.310   28.909  1014.79   41.969  964.400   39.879  386.339   8.0164  376.656   7.8129 9.682556 11.19396 
1 1 1  -27    7   27 f  240.576   4.7524  393.456   15.480  381.312   22.127  405.097   21.663  236.922   6.8919  244.230   6.5455 -7.308151 9.504846 
1 1 1  -27    7   28 o  141.714   4.8131  136.537   9.2138  134.910   13.538  137.941   12.576  140.911   7.0898  142.517   6.5115 -1.605194 9.626231 
1 1 1  -27    7   29 o  251.003   4.8248  427.748   16.401  434.663   23.686  421.378   22.734  252.943   6.9100  249.064   6.7356 3.878860 9.649675 
1 1 1  -27    7   30 o  429.351   7.2084  1265.22   40.156  1287.90   50.278  1225.25   66.732  435.082   8.5275  423.621   11.625 11.46130 14.41690 
1 1 1  -27    7   31 o  241.169   5.6949  399.049   18.042  410.530   23.043  380.861   29.003  245.809   6.9178  236.528   9.0484 9.280197 11.38988 
1 1 1  -27    7   32 o   99.384   6.4281   68.059   8.5263   73.101   11.392   61.637   12.856  103.669   8.1090   95.099   9.9762 8.569931 12.85614 
1 1 1  -27    7   33 f  128.351   6.4273  111.945   10.120  112.718   18.891  111.634   11.984  128.527   10.846  128.175   6.8996 0.3521729 12.85461 
1 1 1  -27    7   34 o  400.575   7.1206  1091.09   36.079  1101.98   63.831  1085.98   43.735  401.600   11.729  399.550   8.0775 2.049957 14.24124 
1 1 1  -27    7   35 o  385.995   5.6684  1013.67   29.644  1007.35   42.264  1019.78   41.590  384.794   8.1052  387.195   7.9264 -2.401031 11.33670 
1 1 1  -27    7   36 o  154.574   4.9595  162.403   10.356  162.341   15.260  162.455   14.100  154.528   7.2872  154.620   6.7294 -0.9278870E-01 9.919094 
1 1 1  -27    7   37 o  299.899   5.1295  611.644   20.835  605.957   29.882  617.025   29.066  298.523   7.3867  301.275   7.1193 -2.751587 10.25905 
1 1 1  -27    7   38 o  391.734   5.7308  1043.62   30.406  1063.58   43.873  1025.18   42.178  395.318   8.1897  388.151   8.0187 7.166992 11.46166 
1 1 1  -27    7   39 o  254.962   6.1901  438.386   20.128  430.092   24.503  455.594   35.295  251.505   7.1893  258.419   10.079 -6.914459 12.38019 
1 1 1  -27    7   40 o  103.340   7.2818   70.847   9.6987   66.637   11.839   79.437   16.911   98.904   8.8333  107.777   11.579 -8.873924 14.56362 
1 1 1  -27    7   41 o  130.625   6.4304  117.380   10.454  113.497   18.838  119.108   12.567  128.895   10.785  132.355   7.0064 -3.460358 12.86076 
1 1 1  -27    7   42 o  268.712   6.1983  499.518   21.099  470.209   36.543  514.175   25.842  262.430   10.276  274.994   6.9345 -12.56406 12.39669 
1 1 1  -27    7   43 o  162.369   4.9830  179.349   10.938  178.402   16.007  180.180   14.982  161.946   7.2937  162.793   6.7913 -0.8473511 9.965923 
1 1 1  -27    7   44 o  129.814   5.2855  115.030   9.2582  109.979   13.554  119.447   12.676  127.105   7.8693  132.524   7.0583 -5.418716 10.57096 
1 1 1  -27    7   45 o  280.674   5.1220  536.247   19.469  524.693   27.833  547.316   27.244  277.688   7.3965  283.660   7.0874 -5.972595 10.24402 
1 1 1  -27    7   46 o  285.987   5.1734  556.306   20.036  562.317   28.938  550.771   27.768  287.451   7.4289  284.522   7.2019 2.929169 10.34679 
1 1 1  -27    7   47 o  263.814   5.1729  472.707   18.465  489.610   27.025  457.906   25.289  268.210   7.4354  259.418   7.1938 8.791870 10.34580 
1 1 1  -27    7   48 o  337.633   5.4969  776.021   25.138  784.421   36.203  768.201   34.932  339.375   7.8719  335.891   7.6744 3.484283 10.99376 
1 1 1  -27    7   49 f  256.206   6.2402  440.529   20.104  466.997   36.377  428.890   24.122  261.358   10.271  251.054   7.0903 10.30400 12.48043 
1 1 1  -27    7   50 f  202.578   6.2531  281.027   15.869  277.149   28.406  282.786   19.132  201.292   10.414  203.865   6.9253 -2.572937 12.50610 
1 1 1  -27    7   51 o  226.542   5.0326  349.678   15.434  337.800   22.072  361.044   21.590  222.745   7.3121  230.339   6.9167 -7.594284 10.06513 
1 1 1  -27    7   52 o  310.742   5.3432  657.673   22.488  660.114   32.366  655.395   31.268  311.274   7.6729  310.210   7.4382 1.063568 10.68645 
1 1 1  -27    7   53 o  323.556   5.4216  713.567   23.763  705.069   33.943  721.735   33.279  321.637   7.7876  325.474   7.5451 -3.837372 10.84321 
1 1 1  -27    7   54 o  192.054   5.1108  251.288   13.287  250.137   19.218  252.342   18.390  191.607   7.4015  192.500   7.0497 -0.8921509 10.22155 
1 1 1  -27    7   55 o  206.800   6.4866  291.342   16.919  289.592   20.455  295.133   30.107  206.152   7.3220  207.449   10.710 -1.296844 12.97324 
1 1 1  -27    7   56 o  311.722   6.5028  668.336   26.249  677.657   32.758  651.616   43.874  315.218   7.6686  308.225   10.504 6.993134 13.00558 
1 1 1  -27    7   57 o  179.686   6.0392  216.569   14.273  204.676   17.915  237.238   23.616  173.211   7.6322  186.161   9.3614 -12.95047 12.07833 
1 1 1  -27    7   58 o  187.631   5.1964  240.572   13.188  230.305   18.961  250.193   18.355  183.700   7.6168  191.563   7.0707 -7.862854 10.39281 
1 1 1  -27    7   59 o  258.892   5.2012  457.312   18.233  459.897   26.349  454.937   25.257  259.559   7.4910  258.224   7.2178 1.334900 10.40246 
1 1 1  -27    7   60 o  236.848   5.1719  381.780   16.572  405.270   24.301  361.358   22.658  243.626   7.3607  230.071   7.2673 13.55461 10.34379 
1 1 1  -27    7   61 o  373.769   5.8025  956.150   29.381  963.890   42.158  948.840   40.968  375.200   8.2916  372.339   8.1195 2.861023 11.60501 
1 1 1  -27    7   62 o  166.565   5.3142  190.136   11.962  182.986   17.364  196.596   16.503  163.511   7.8365  169.619   7.1798 -6.108139 10.62833 
1 1 1  -27    7   63 o  137.122   6.8147  123.650   11.588  144.154   21.917  115.695   13.653  144.262   11.211  129.981   7.7509 14.28119 13.62946 
1 1 1  -27    7   65 o  136.372   5.7670  128.287   10.568  123.024   15.816  132.532   14.205  133.700   8.7293  139.044   7.5388 -5.343781 11.53401 
1 1 1  -27    7   66 o  116.121   5.8960   93.445   9.2080   84.516   13.411  101.408   12.665  110.702   8.9398  121.539   7.6896 -10.83659 11.79194 
1 1 1  -27    7   67 o  126.654   5.6950  111.100   9.6984   96.645   13.847  125.020   13.588  118.369   8.6324  134.939   7.4307 -16.56949 11.39009 
1 1 1  -27    7   68 o  166.436   5.2073  190.477   11.737  184.873   16.725  195.913   16.475  163.971   7.5270  168.901   7.1978 -4.930389 10.41466 
1 1 1  -27    7   69 o   67.740   10.779   32.892   9.0701   30.601   10.867   38.152   16.468   64.695   12.848   70.786   17.311 -6.091644 21.55811 
1 1 1  -27    7   70 o  112.507   7.5671   87.511   10.655   85.476   12.764   92.189   19.353  111.094   8.4786  113.920   12.536 -2.825912 15.13420 
1 1 1  -27    7   71 o  121.540   5.7252  101.912   9.3952  114.858   13.701   90.421   12.908  128.880   7.8446  114.201   8.3409 14.67915 11.45031 
1 1 1  -27    7   72 o  149.438   5.3124  154.266   10.752  158.585   15.521  150.281   14.909  151.427   7.5637  147.449   7.4616 3.977676 10.62475 
1 1 1  -27    7   73 o   68.369   9.3055   35.173   8.1787   38.059   10.522   30.766   13.001   73.353   10.585   63.385   15.308 9.967579 18.61109 
1 1 1  -27    7   74 o   72.438   8.9002   40.139   8.0817   45.359   10.359   32.022   12.918   80.289   9.5211   64.588   15.040 15.70133 17.80045 
1 1 1  -27    7   75 o   71.554   8.3336   35.765   7.7481   30.356   9.7549   45.010   12.753   64.138   11.653   78.970   11.917 -14.83176 16.66720 
1 1 1  -27    7   76 o   36.320   9.5571   5.7381   6.5702  -0.2157   8.4275   14.965   10.491   27.752   12.054   44.887   14.834 -17.13468 19.11413 
1 1 1  -27    7   77 o  106.747   7.7418   82.074   11.170   83.275   16.435   81.043   15.229  107.259   11.307  106.236   10.578 1.022606 15.48360 
1 1 1  -27    7   78 o  129.110   7.3961  120.708   12.849  109.853   18.653  130.510   17.725  123.003   11.191  135.216   9.6735 -12.21321 14.79218 
1 1 1  -27    7   79 o  102.465   10.729   76.115   14.898   0.0000   0.0000   76.115   14.898  ?   ?   102.465   10.729      ?      ? 
1 1 1  -27    7   80 f   41.236   14.967   12.142   10.795   0.0000   0.0000   12.142   10.795  ?   ?    41.236   14.967      ?      ? 
1 1 1  -27    7   81 o   75.358   12.464   42.512   12.729   0.0000   0.0000   42.512   12.729  ?   ?    75.358   12.464      ?      ? 
1 1 1  -27    8    1 f  205.439   4.8182  298.613   12.274  319.085   14.941  256.128   21.524  216.841   5.0847  194.038   8.1857 22.80386 9.636327 
1 1 1  -27    8    2 o  291.647   8.9121  579.027   35.223   0.0000   0.0000  579.027   35.223  ?   ?   291.647   8.9121      ?      ? 
1 1 1  -27    8    3 o  193.210   5.1989  256.972   13.427  281.416   18.157  227.471   19.947  203.540   6.5828  182.880   8.0488 20.65979 10.39790 
1 1 1  -27    8    4 f  166.667   4.5406  187.876   9.5757  186.481   11.601  190.859   16.962  165.770   5.1644  167.564   7.4697 -1.794144 9.081173 
1 1 1  -27    8    5 o  200.783   4.7989  280.110   12.008  290.567   14.538  257.653   21.305  206.925   5.1845  194.640   8.0771 12.28500 9.597867 
1 1 1  -27    8    6 o  192.153   4.9318  263.835   11.754  287.579   14.410  216.619   20.320  205.861   5.1654  178.445   8.4030 27.41624 9.863634 
1 1 1  -27    8    7 o  306.610   7.0599  638.769   29.334  638.769   29.334   0.0000   0.0000  306.610   7.0599  ?   ?       ?      ? 
1 1 1  -27    8    8 o  348.184   6.1432  823.165   28.986  823.165   28.986   0.0000   0.0000  348.184   6.1432  ?   ?       ?      ? 
1 1 1  -27    8    9 o  396.136   6.3450  1086.14   30.510  1109.92   36.116  1026.86   57.016  404.245   6.5928  388.027   10.843 16.21829 12.68999 
1 1 1  -27    8   10 o  347.734   5.8412  814.426   24.574  804.859   28.779  840.177   47.215  344.291   6.1683  351.177   9.9213 -6.886169 11.68248 
1 1 1  -27    8   11 o  305.136   5.5497  638.515   20.696  645.939   24.537  620.213   38.528  308.465   5.8699  301.808   9.4202 6.657043 11.09937 
1 1 1  -27    8   12 o  309.880   5.5405  647.005   20.890  639.706   24.555  666.130   39.751  306.970   5.9028  312.789   9.3780 -5.818298 11.08103 
1 1 1  -27    8   13 o  304.008   5.5092  620.884   20.399  611.593   23.970  645.280   38.841  300.151   5.8932  307.866   9.3100 -7.715698 11.01847 
1 1 1  -27    8   14 o  297.872   5.5292  602.373   20.161  601.248   23.846  605.194   37.756  297.599   5.9128  298.145   9.3448 -0.5454102 11.05834 
1 1 1  -27    8   15 o  317.861   6.1206  677.628   25.478  651.023   31.859  724.834   42.437  309.479   7.5965  326.243   9.5989 -16.76385 12.24119 
1 1 1  -27    8   16 o  318.650   7.6064  690.188   32.845  690.188   32.845   0.0000   0.0000  318.650   7.6064  ?   ?       ?      ? 
1 1 1  -27    8   17 o  335.132   6.4308  778.685   28.374  834.593   36.861  697.385   44.451  350.377   7.7634  319.887   10.254 30.49042 12.86150 
1 1 1  -27    8   18 o  393.991   6.4555  1082.92   30.989  1119.30   36.890  995.698   57.120  405.932   6.7061  382.049   11.033 23.88293 12.91099 
1 1 1  -27    8   19 o  352.052   6.0065  842.289   25.659  841.185   30.183  845.165   48.728  351.951   6.3284  352.151   10.211 -0.2000427 12.01297 
1 1 1  -27    8   20 o  291.738   6.7681  579.586   26.727  581.319   38.752  578.013   36.911  292.120   9.7893  291.357   9.3487 0.7630005 13.53621 
1 1 1  -27    8   21 o  204.865   5.5424  287.401   15.122  297.327   19.839  273.638   23.361  209.188   6.9985  200.541   8.5962 8.647507 11.08483 
1 1 1  -27    8   22 o  199.999   5.3916  273.661   14.215  279.738   18.223  264.216   22.717  202.934   6.6266  197.063   8.5069 5.870773 10.78329 
1 1 1  -27    8   23 o  164.167   6.7682  183.093   15.057  183.093   15.057   0.0000   0.0000  164.167   6.7682  ?   ?       ?      ? 
1 1 1  -27    8   24 o  206.187   5.3929  285.922   14.643  276.389   18.487  301.968   23.986  201.700   6.7637  210.674   8.4015 -8.974716 10.78579 
1 1 1  -27    8   25 o  258.899   5.7714  465.342   19.570  498.083   25.204  415.635   31.055  270.752   6.8694  247.047   9.2762 23.70430 11.54277 
1 1 1  -27    8   26 o  210.883   5.5027  304.310   15.301  310.971   19.621  293.973   24.442  213.939   6.7679  207.828   8.6785 6.111511 11.00547 
1 1 1  -27    8   27 o  188.712   4.6431  241.131   11.849  253.922   17.463  230.218   16.130  193.327   6.6657  184.096   6.4654 9.229980 9.286166 
1 1 1  -27    8   28 o  162.581   4.7308  180.081   10.382  173.049   15.190  186.248   14.224  159.571   7.0245  165.590   6.3386 -6.019867 9.461586 
1 1 1  -27    8   29 o  253.714   4.8041  436.961   16.499  446.383   24.005  428.525   22.714  256.291   6.9116  251.137   6.6743 5.153915 9.608203 
1 1 1  -27    8   30 o  242.325   4.7829  398.559   15.688  408.319   22.840  389.842   21.586  245.119   6.8761  239.532   6.6501 5.587097 9.565820 
1 1 1  -27    8   31 f  128.678   5.0599  113.712   8.7303  101.310   12.833  124.395   11.911  122.043   7.7597  135.313   6.4958 -13.26937 10.11971 
1 1 1  -27    8   32 o   66.868   7.5047   32.451   6.3210   24.359   9.6833   38.459   8.3440   58.560   12.578   75.176   8.1906 -16.61557 15.00941 
1 1 1  -27    8   33 f  155.915   6.0442  160.559   11.576  177.252   22.029  154.191   13.607  161.199   10.084  150.631   6.6659 10.56801 12.08833 
1 1 1  -27    8   34 o  406.069   5.8264  1121.89   32.046  1136.44   46.173  1108.38   44.511  408.584   8.3392  403.554   8.1392 5.030334 11.65287 
1 1 1  -27    8   35 o  383.087   5.6583  998.120   29.357  1015.54   42.397  982.071   40.689  386.277   8.0994  379.898   7.9036 6.378815 11.31667 
1 1 1  -27    8   36 o  331.932   6.5306  756.498   27.582  734.706   47.767  767.399   33.784  327.971   10.747  335.893   7.4221 -7.921356 13.06122 
1 1 1  -27    8   37 o  280.179   6.1694  530.798   21.837  545.775   38.897  523.906   26.388  282.777   10.151  277.582   7.0150 5.195038 12.33878 
1 1 1  -27    8   38 o  414.521   7.2238  1157.61   37.861  1216.04   67.658  1130.97   45.683  421.498   11.845  407.543   8.2718 13.95496 14.44752 
1 1 1  -27    8   39 o  491.681   8.1295  1656.38   51.072  1661.16   62.634  1646.90   88.222  493.543   9.3649  489.819   13.291 3.723145 16.25897 
1 1 1  -27    8   40 o  292.965   5.1416  583.524   20.397  592.236   29.520  575.565   28.215  295.039   7.3835  290.892   7.1575 4.146179 10.28326 
1 1 1  -27    8   41 o  304.010   5.2239  627.738   21.493  650.054   31.377  608.009   29.502  309.073   7.4914  298.946   7.2825 10.12701 10.44780 
1 1 1  -27    8   42 o  288.464   5.1514  566.267   20.124  563.412   28.960  568.932   27.983  287.737   7.4272  289.191   7.1404 -1.453552 10.30284 
1 1 1  -27    8   43 o  213.993   5.0069  310.723   14.494  324.720   21.281  298.611   19.795  218.464   7.1882  209.522   6.9719 8.941376 10.01388 
1 1 1  -27    8   44 o  240.276   5.0725  392.574   16.497  397.898   23.986  387.796   22.726  241.800   7.3201  238.752   7.0241 3.048004 10.14501 
1 1 1  -27    8   45 o  263.728   5.1321  471.939   18.309  496.876   26.892  450.392   24.997  270.189   7.3446  257.267   7.1701 12.92169 10.26413 
1 1 1  -27    8   46 o  188.287   5.0355  241.617   12.819  235.104   18.619  247.486   17.675  185.840   7.3933  190.735   6.8384 -4.894897 10.07095 
1 1 1  -27    8   47 o  138.336   5.3445  130.291   9.9880  130.639   14.725  129.995   13.593  138.480   7.8465  138.192   7.2587 0.2876740 10.68908 
1 1 1  -27    8   48 o  204.404   5.0491  284.977   13.939  276.404   20.386  292.505   19.102  201.467   7.4669  207.341   6.7984 -5.873810 10.09816 
1 1 1  -27    8   49 o  219.011   6.1739  329.760   16.997  320.645   30.123  334.018   20.588  216.478   10.268  221.544   6.8577 -5.065948 12.34782 
1 1 1  -27    8   50 o  125.682   5.5909  107.710   9.4953  107.190   13.944  108.160   12.966  125.370   8.2076  125.994   7.5939 -0.6245651 11.18178 
1 1 1  -27    8   51 o  111.703   5.9547   85.156   8.9923   84.990   13.171   85.301   12.307  111.574   8.7113  111.833   8.1208 -0.2588959 11.90936 
1 1 1  -27    8   52 o  244.160   5.0934  405.671   16.841  417.950   24.375  394.457   23.295  247.680   7.2623  240.640   7.1437 7.040466 10.18690 
1 1 1  -27    8   53 o  257.386   6.1504  456.948   20.705  470.217   26.284  435.250   33.610  262.652   7.3846  252.119   9.8375 10.53322 12.30078 
1 1 1  -27    8   54 o  128.027   8.3824  111.956   14.543  111.956   14.543   0.0000   0.0000  128.027   8.3824  ?   ?       ?      ? 
1 1 1  -27    8   55 o  126.624   7.1700  106.535   11.626   99.976   14.089  120.528   20.579  120.929   8.5976  132.319   11.477 -11.38975 14.34003 
1 1 1  -27    8   56 o  167.130   5.2837  191.795   11.871  165.215   16.878  217.817   16.700  155.512   8.0088  178.749   6.8942 -23.23790 10.56747 
1 1 1  -27    8   57 o  282.411   5.2447  544.823   20.059  529.766   28.606  559.386   28.134  278.523   7.5791  286.299   7.2515 -7.775299 10.48934 
1 1 1  -27    8   58 o  129.419   5.7686  115.514   10.025  105.652   14.796  123.885   13.631  124.169   8.7931  134.668   7.4693 -10.49878 11.53729 
1 1 1  -27    8   59 o  266.605   5.2256  485.287   18.854  493.903   27.481  477.626   25.915  268.790   7.5445  264.419   7.2323 4.371307 10.45116 
1 1 1  -27    8   60 o  201.362   5.1780  276.182   14.088  290.030   20.913  264.679   19.061  205.923   7.4944  196.801   7.1472 9.122192 10.35605 
1 1 1  -27    8   61 o  222.207   6.5837  348.930   18.137  316.177   32.265  364.060   21.930  213.637   11.145  230.777   7.0123 -17.13983 13.16747 
1 1 1  -27    8   62 o  158.540   5.4530  173.672   11.617  155.895   16.946  189.431   15.955  150.681   8.2990  166.399   7.0757 -15.71797 10.90593 
1 1 1  -27    8   63 o  133.941   6.8097  126.143   11.463  117.667   20.059  130.253   13.968  130.034   11.383  137.847   7.4775 -7.813110 13.61945 
1 1 1  -27    8   64 o  134.989   6.6730  126.474   11.400  124.387   19.978  127.481   13.882  133.675   11.029  136.303   7.5157 -2.627548 13.34597 
1 1 1  -27    8   65 o  122.817   5.7086  103.733   9.4874  105.432   13.839  102.226   13.032  123.722   8.2540  121.913   7.8882 1.809265 11.41719 
1 1 1  -27    8   66 o   75.727   7.3138   40.143   7.4628   37.309   10.880   42.661   10.256   73.057   10.990   78.396   9.6535 -5.339409 14.62755 
1 1 1  -27    8   67 o  126.695   5.5904  111.152   9.5558  102.435   13.772  119.244   13.269  121.758   8.3470  131.632   7.4389 -9.873840 11.18077 
1 1 1  -27    8   68 o  119.272   5.8360   98.232   9.4107  107.993   13.595   89.252   13.040  125.017   8.0247  113.526   8.4759 11.49126 11.67208 
1 1 1  -27    8   69 o   44.760   10.972   13.817   7.8986   14.893   9.6015   11.565   13.892   45.289   14.119   44.232   16.799 1.056980 21.94425 
1 1 1  -27    8   70 o  100.192   6.2902   70.126   8.5167   65.592   12.202   74.433   11.893   96.900   9.2921  103.484   8.4808 -6.584145 12.58046 
1 1 1  -27    8   71 o   85.430   7.7419   51.001   8.6955   48.745   10.941   54.869   14.327   83.314   9.6908   87.546   12.076 -4.231384 15.48376 
1 1 1  -27    8   72 o   95.406   7.3034   63.390   9.1809   60.144   11.576   68.896   15.074   92.579   9.2268   98.234   11.324 -5.655212 14.60672 
1 1 1  -27    8   73 o  132.751   6.3650  123.205   11.064  121.543   13.930  126.045   18.211  132.138   7.7794  133.365   10.076 -1.226578 12.73001 
1 1 1  -27    8   74 o   57.093   9.6947   26.147   7.6364   31.742   9.6750   16.902   12.437   66.605   10.719   47.581   16.157 19.02441 19.38949 
1 1 1  -27    8   75 o   49.249   9.9622   17.261   7.2578   9.9237   9.4504   27.812   11.332   38.562   14.002   59.936   14.175 -21.37458 19.92446 
1 1 1  -27    8   76 o   92.132   8.5004   63.025   10.395   50.608   14.944   74.666   14.470   82.381   13.386  101.882   10.480 -19.50105 17.00072 
1 1 1  -27    8   77 o   73.929   13.230   41.750   12.768   0.0000   0.0000   41.750   12.768  ?   ?    73.929   13.230      ?      ? 
1 1 1  -27    8   78 o   65.080   14.615   33.523   12.574   0.0000   0.0000   33.523   12.574  ?   ?    65.080   14.615      ?      ? 
1 1 1  -27    8   79 o   93.643   11.334   64.478   14.383   0.0000   0.0000   64.478   14.383  ?   ?    93.643   11.334      ?      ? 
1 1 1  -27    8   80 o   58.286   15.057   27.560   11.977   0.0000   0.0000   27.560   11.977  ?   ?    58.286   15.057      ?      ? 
1 1 1  -27    9    1 o  483.200   7.5400  1570.52   46.671  1524.02   56.937  1665.75   81.478  473.017   8.8824  493.383   12.186 -20.36591 15.07996 
1 1 1  -27    9    2 o  343.893   6.1686  821.932   27.763  878.807   35.706  734.977   44.149  359.501   7.3292  328.285   9.9241 31.21643 12.33712 
1 1 1  -27    9    3 o  334.618   7.2198  766.558   32.553  734.770   48.080  793.466   44.235  328.052   10.815  341.185   9.5674 -13.13318 14.43966 
1 1 1  -27    9    4 f  357.557   6.3129  886.414   29.549  938.855   37.895  805.070   47.196  371.558   7.5262  343.556   10.137 28.00195 12.62581 
1 1 1  -27    9    5 o  427.743   6.9354  1219.15   38.013  1164.34   46.238  1333.44   66.771  413.633   8.2489  441.854   11.151 -28.22086 13.87079 
1 1 1  -27    9    6 o  294.986   5.6614  583.748   21.818  562.196   27.201  622.626   36.533  287.602   6.9792  302.369   8.9160 -14.76620 11.32274 
1 1 1  -27    9    7 o  214.751   5.4006  323.447   15.212  370.878   20.188  261.135   23.139  233.657   6.3756  195.844   8.7187 37.81305 10.80113 
1 1 1  -27    9    8 o  268.193   6.8201  488.788   24.787  488.788   24.787   0.0000   0.0000  268.193   6.8201  ?   ?       ?      ? 
1 1 1  -27    9    9 o  173.588   5.1254  207.660   11.825  222.104   15.620  188.272   18.097  180.820   6.3746  166.356   8.0276 14.46451 10.25076 
1 1 1  -27    9   10 o  103.875   5.3154   73.315   7.4712   72.425   10.263   74.318   10.897  103.213   7.3377  104.536   7.6923 -1.323051 10.63078 
1 1 1  -27    9   11 o  148.784   5.1548  152.822   10.199  165.958   13.569  135.764   15.463  156.303   6.4063  141.264   8.0776 15.03806 10.30961 
1 1 1  -27    9   12 o  156.081   5.0402  163.169   10.527  151.370   13.656  180.446   16.524  149.254   6.7518  162.907   7.4850 -13.65279 10.08032 
1 1 1  -27    9   13 o  168.498   5.0964  192.120   11.457  188.157   14.877  197.896   17.961  166.416   6.5971  170.580   7.7699 -4.163635 10.19275 
1 1 1  -27    9   14 o  160.977   5.1737  176.791   11.103  179.786   14.525  172.582   17.220  162.673   6.5892  159.280   7.9781 3.392532 10.34734 
1 1 1  -27    9   15 o  145.652   5.2786  145.524   10.273  153.133   13.658  135.614   15.588  150.123   6.7135  141.182   8.1476 8.941467 10.55718 
1 1 1  -27    9   16 o  164.011   7.9416  182.981   17.651   0.0000   0.0000  182.981   17.651  ?   ?   164.011   7.9416      ?      ? 
1 1 1  -27    9   17 o  103.978   6.1203   73.350   8.6065   80.034   12.559   67.431   11.818  108.435   8.5466   99.520   8.7628 8.914612 12.24055 
1 1 1  -27    9   18 o  167.689   5.1176  197.918   10.886  212.773   13.533  170.674   18.327  177.030   5.6409  158.348   8.5406 18.68175 10.23529 
1 1 1  -27    9   19 o  260.306   5.4186  476.665   17.526  503.790   21.294  419.694   30.860  272.391   5.7687  248.221   9.1742 24.16972 10.83719 
1 1 1  -27    9   20 f  234.116   5.1202  359.760   14.946  341.300   17.716  405.339   27.838  224.194   5.8314  244.038   8.4178 -19.84464 10.24035 
1 1 1  -27    9   21 o  299.244   7.5390  608.945   30.572  608.945   30.572   0.0000   0.0000  299.244   7.5390  ?   ?       ?      ? 
1 1 1  -27    9   22 o  414.625   6.9119  1168.42   38.836  1168.42   38.836   0.0000   0.0000  414.625   6.9119  ?   ?       ?      ? 
1 1 1  -27    9   23 o  371.022   6.5495  935.320   32.930  935.320   32.930   0.0000   0.0000  371.022   6.5495  ?   ?       ?      ? 
1 1 1  -27    9   24 o  344.701   5.9682  803.235   25.048  796.164   29.473  821.621   47.527  342.335   6.3531  347.066   10.105 -4.730652 11.93631 
1 1 1  -27    9   25 f  369.851   6.1576  904.087   27.378  873.797   31.785  991.154   53.889  358.604   6.5407  381.097   10.435 -22.49313 12.31519 
1 1 1  -27    9   26 o  465.112   7.2069  1513.58   40.825  1565.84   48.607  1388.44   75.218  479.830   7.4754  450.395   12.324 29.43539 14.41380 
1 1 1  -27    9   27 o  315.888   5.7745  675.946   22.349  671.667   26.421  686.709   41.900  314.440   6.2005  317.337   9.7433 -2.897919 11.54899 
1 1 1  -27    9   28 o  273.746   5.5231  512.207   18.711  515.673   22.348  504.083   34.215  275.537   5.9853  271.956   9.2841 3.580841 11.04615 
1 1 1  -27    9   29 o  335.614   5.9343  763.330   24.316  758.684   28.682  775.198   45.847  334.158   6.3341  337.070   10.037 -2.912170 11.86853 
1 1 1  -27    9   30 o  295.018   6.1715  594.619   23.068  587.929   40.472  597.838   28.074  293.504   10.176  296.533   6.9864 -3.028870 12.34308 
1 1 1  -27    9   31 o  129.491   6.0827  113.306   9.9039  116.645   17.802  111.809   11.919  130.738   10.048  128.244   6.8582 2.494080 12.16538 
1 1 1  -27    9   32 o  258.375   6.7350  453.811   23.582   0.0000   0.0000  453.811   23.582  ?   ?   258.375   6.7350      ?      ? 
1 1 1  -27    9   33 o  178.450   6.4986  216.437   15.715   0.0000   0.0000  216.437   15.715  ?   ?   178.450   6.4986      ?      ? 
1 1 1  -27    9   34 o  146.892   4.9230  145.652   9.7523  157.508   14.700  136.332   13.034  152.179   7.1281  141.605   6.7921 10.57455 9.845962 
1 1 1  -27    9   35 o  198.301   4.7868  267.327   12.835  267.941   18.793  266.790   17.572  198.492   6.9865  198.110   6.5455 0.3819122 9.573683 
1 1 1  -27    9   36 o  164.955   4.8734  183.318   10.842  204.947   16.300  166.153   14.521  173.598   6.9286  156.312   6.8551 17.28517 9.746709 
1 1 1  -27    9   37 o  201.446   4.8690  276.314   13.268  269.402   19.196  282.637   18.361  199.005   7.1182  203.887   6.6453 -4.881454 9.737990 
1 1 1  -27    9   38 o  116.482   7.1889   94.733   10.677   99.199   13.227   86.383   18.087  120.684   8.0879  112.281   11.887 8.402763 14.37782 
1 1 1  -27    9   39 o  232.432   6.3105  365.168   18.636  359.206   22.621  377.763   32.880  229.757   7.2653  235.107   10.320 -5.350479 12.62102 
1 1 1  -27    9   40 o  224.344   4.9993  341.578   15.170  355.798   22.294  329.317   20.702  228.665   7.1946  220.023   6.9433 8.641968 9.998584 
1 1 1  -27    9   41 o  193.490   5.0049  255.137   13.086  248.809   19.099  260.738   17.967  191.190   7.3716  195.790   6.7718 -4.599228 10.00985 
1 1 1  -27    9   42 o  245.664   5.0068  411.286   16.642  395.009   23.885  426.647   23.202  240.897   7.3165  250.432   6.8368 -9.534210 10.01363 
1 1 1  -27    9   43 o  214.439   4.9400  312.616   14.328  317.476   20.985  308.371   19.611  215.974   7.1701  212.903   6.7973 3.071045 9.879935 
1 1 1  -27    9   44 o  129.082   5.4579  113.514   9.4886  113.383   14.222  113.619   12.738  128.977   8.1372  129.187   7.2760 -0.2108307 10.91583 
1 1 1  -27    9   45 o  186.325   5.0262  235.810   12.659  243.286   18.690  229.474   17.207  189.025   7.2965  183.626   6.9148 5.398499 10.05248 
1 1 1  -27    9   46 o  124.087   5.5464  103.946   9.2785  115.178   14.013   95.178   12.381  129.988   7.9553  118.185   7.7306 11.80376 11.09279 
1 1 1  -27    9   47 o  210.678   5.0275  302.483   14.321  298.275   20.888  306.214   19.672  209.256   7.3662  212.099   6.8443 -2.843521 10.05508 
1 1 1  -27    9   48 o  272.469   6.3388  510.681   21.835  497.134   38.294  517.208   26.580  269.363   10.491  275.574   7.1176 -6.210663 12.67753 
1 1 1  -27    9   49 o  148.165   7.7645  149.696   15.590  149.696   15.590   0.0000   0.0000  148.165   7.7645  ?   ?       ?      ? 
1 1 1  -27    9   50 o  219.304   5.9503  329.126   17.128  331.298   21.721  325.554   27.851  220.479   7.2698  218.128   9.4220 2.350372 11.90057 
1 1 1  -27    9   51 o  156.226   6.1825  168.267   12.824  174.672   16.740  159.167   19.954  160.007   7.7200  152.445   9.6588 7.562210 12.36494 
1 1 1  -27    9   52 o  192.586   5.0679  251.611   13.189  270.238   19.566  236.099   17.855  199.071   7.2530  186.100   7.0801 12.97086 10.13577 
1 1 1  -27    9   53 o   94.294   8.4842   63.661   10.070   68.429   12.447   54.626   17.134   99.953   9.1891   88.635   14.265 11.31779 16.96848 
1 1 1  -27    9   54 o   98.859   8.3272   69.303   10.350   72.826   12.683   62.283   17.904  103.095   9.0786   94.624   13.962 8.470848 16.65446 
1 1 1  -27    9   55 o   76.211   7.3726   39.981   7.5874   39.918   11.201   40.034   10.314   76.105   10.861   76.317   9.9730 -0.2118607 14.74514 
1 1 1  -27    9   56 o   42.219   9.6840   11.677   6.7835   4.4811   10.124   17.540   9.1382   35.069   14.040   49.370   13.342 -14.30052 19.36805 
1 1 1  -27    9   57 o  115.989   5.8252   92.151   9.1079   92.443   13.603   91.914   12.262  116.090   8.6466  115.888   7.8082 0.2019043 11.65041 
1 1 1  -27    9   58 o  143.042   6.8345  140.550   11.945  141.783   22.417  140.061   14.116  142.977   11.570  143.108   7.2790 -0.1302032 13.66910 
1 1 1  -27    9   59 o   58.282   10.497   27.398   8.3799   12.401   16.341   32.749   9.7610   47.751   18.199   68.814   10.467 -21.06352 20.99483 
1 1 1  -27    9   60 o   94.605   6.5524   61.510   8.3576   63.500   12.546   59.922   11.206   95.908   9.6534   93.302   8.8627 2.605865 13.10483 
1 1 1  -27    9   61 o   69.368   8.6673   36.487   7.5817   22.686   11.325   47.698   10.207   55.571   14.781   83.165   9.0564 -27.59387 17.33465 
1 1 1  -27    9   62 o  100.253   7.2236   63.056   9.1683   89.809   17.124   52.306   10.855  113.500   11.134   87.006   9.2067 26.49384 14.44724 
1 1 1  -27    9   63 o  118.649   6.7501   95.082   10.095  104.397   18.298   91.006   12.104  122.271   11.043  115.027   7.7653 7.244003 13.50027 
1 1 1  -27    9   64 f   99.624   6.1925   69.109   8.2708   64.891   12.406   72.484   11.097   96.699   9.4672  102.550   7.9851 -5.851234 12.38502 
1 1 1  -27    9   65 o   59.602   9.0132   25.477   7.0451   32.682   10.763   20.075   9.3190   67.060   12.297   52.144   13.181 14.91611 18.02637 
1 1 1  -27    9   66 o   95.900   6.4860   62.915   8.2971   80.717   12.554   49.110   11.056  107.903   8.5858   83.898   9.7241 24.00509 12.97206 
1 1 1  -27    9   67 o  123.412   5.6992  105.199   9.5166  110.311   13.940  100.737   13.023  126.182   8.1526  120.642   7.9661 5.539848 11.39835 
1 1 1  -27    9   68 o   93.847   8.1565   63.328   9.7871   65.075   12.121   60.057   16.589   96.499   9.2693   91.195   13.424 5.304039 16.31296 
1 1 1  -27    9   69 o   81.418   8.2000   45.054   8.5518   32.963   10.814   65.244   13.973   66.862   12.391   95.974   10.744 -29.11192 16.39994 
1 1 1  -27    9   70 o   51.755   10.444   20.258   7.5796   19.654   9.7758   21.169   12.002   50.945   13.813   52.565   15.669 -1.620113 20.88819 
1 1 1  -27    9   71 o   51.844   9.9893   19.092   7.2105   13.349   9.1479   28.512   11.717   42.722   13.838   60.966   14.410 -18.24420 19.97853 
1 1 1  -27    9   72 o   32.409   9.4726   3.4254   6.7938   5.4533   8.8314   0.4856   10.633   33.392   13.195   31.426   13.594 1.966629 18.94523 
1 1 1  -27    9   73 o   61.004   9.4712   31.018   7.8477   40.773   10.062   15.866   12.540   75.680   9.8108   46.328   16.204 29.35294 18.94230 
1 1 1  -27    9   74 o   86.657   7.4142   52.562   8.5470   46.756   10.894   61.856   13.784   80.857   9.9425   92.457   11.001 -11.60084 14.82849 
1 1 1  -27    9   75 o   33.658   13.901   4.3304   10.295   0.0000   0.0000   4.3304   10.295  ?   ?    33.658   13.901      ?      ? 
1 1 1  -27    9   76 o   36.113   14.261   7.2220   10.310   0.0000   0.0000   7.2220   10.310  ?   ?    36.113   14.261      ?      ? 
1 1 1  -27    9   77 o   74.065   13.254   42.303   12.815   0.0000   0.0000   42.303   12.815  ?   ?    74.065   13.254      ?      ? 
1 1 1  -27    9   78 o   49.833   15.220   20.049   11.223   0.0000   0.0000   20.049   11.223  ?   ?    49.833   15.220      ?      ? 
1 1 1  -27    9   79 o   77.329   12.731   45.252   13.341   0.0000   0.0000   45.252   13.341  ?   ?    77.329   12.731      ?      ? 
1 1 1  -27   10    1 o  121.284   4.3910   99.063   6.9664   96.635   8.7235  103.337   11.574  119.294   5.3963  123.274   6.9285 -3.980385 8.782000 
1 1 1  -27   10    2 o  168.305   4.5991  195.431   9.8546  201.369   12.127  183.888   16.908  172.221   5.1963  164.390   7.5899 7.831024 9.198288 
1 1 1  -27   10    3 o  166.842   5.1925  189.933   11.703  203.018   16.345  176.167   16.765  172.788   6.9803  160.895   7.6892 11.89296 10.38499 
1 1 1  -27   10    4 o   95.904   4.8035   62.256   6.1546   60.946   8.0170   64.135   9.6043   94.707   6.2467   97.102   7.2989 -2.395294 9.607027 
1 1 1  -27   10    5 o  189.827   4.7312  246.341   11.405  249.004   13.927  240.920   19.871  191.503   5.3666  188.151   7.7935 3.351593 9.462465 
1 1 1  -27   10    6 o  168.397   4.7470  196.902   10.226  206.258   12.708  179.714   17.226  174.292   5.3805  162.503   7.8222 11.78906 9.494074 
1 1 1  -27   10    7 o  168.321   5.5006  192.384   12.547  192.384   12.547   0.0000   0.0000  168.321   5.5006  ?   ?       ?      ? 
1 1 1  -27   10    8 o  221.964   5.5155  334.546   16.590  334.546   16.590   0.0000   0.0000  221.964   5.5155  ?   ?       ?      ? 
1 1 1  -27   10    9 o  183.172   4.8704  233.958   11.358  246.675   14.077  210.234   19.227  190.603   5.4500  175.742   8.0733 14.86115 9.740718 
1 1 1  -27   10   10 o  215.097   4.9988  321.156   13.647  334.497   16.800  295.275   23.400  221.943   5.5859  208.250   8.2916 13.69318 9.997638 
1 1 1  -27   10   11 o  411.413   7.9899  1151.47   44.396  1029.37   60.652  1292.39   65.161  387.956   11.537  434.869   11.057 -46.91260 15.97984 
1 1 1  -27   10   12 o  308.223   6.0847  657.594   24.805  704.342   32.474  592.119   38.432  321.788   7.4470  294.658   9.6249 27.13043 12.16949 
1 1 1  -27   10   13 o  348.242   5.8733  813.157   24.944  797.420   29.309  854.506   47.508  342.578   6.3133  353.907   9.9059 -11.32828 11.74665 
1 1 1  -27   10   14 o  333.369   5.8495  771.421   24.072  793.902   28.874  720.190   43.589  341.834   6.2333  324.905   9.9002 16.92874 11.69901 
1 1 1  -27   10   15 o  333.122   5.7050  719.308   22.982  679.133   26.654  835.752   45.377  316.163   6.2210  350.082   9.5650 -33.91907 11.41007 
1 1 1  -27   10   16 o  361.133   6.7410  911.990   32.146  1066.22   43.595  728.187   47.591  395.766   8.1285  326.499   10.756 69.26700 13.48209 
1 1 1  -27   10   17 o  212.077   5.6593  310.411   16.036  348.497   21.909  266.464   23.534  226.382   7.1415  197.771   8.7812 28.61082 11.31863 
1 1 1  -27   10   18 o  187.277   4.9561  238.263   11.828  237.862   14.447  239.078   20.601  187.149   5.6964  187.406   8.1120 -0.2568207 9.912285 
1 1 1  -27   10   19 o  227.964   5.0710  347.401   14.533  337.755   17.427  369.430   26.335  223.003   5.7667  232.925   8.3431 -9.921997 10.14208 
1 1 1  -27   10   20 o  169.213   5.3952  195.361   12.258  199.084   16.357  190.591   18.514  171.108   7.0541  167.318   8.1653 3.790451 10.79035 
1 1 1  -27   10   21 o  171.769   5.3554  199.508   12.332  192.758   16.172  208.888   19.062  168.363   7.0881  175.176   8.0300 -6.813385 10.71078 
1 1 1  -27   10   22 o  185.246   6.9451  233.327   17.434  233.327   17.434   0.0000   0.0000  185.246   6.9451  ?   ?       ?      ? 
1 1 1  -27   10   23 o  105.025   6.0551   75.497   8.5757   81.681   11.920   68.863   12.347  109.538   8.0304  100.512   9.0648 9.025650 12.11018 
1 1 1  -27   10   24 o  167.226   5.3943  188.827   12.106  180.413   15.899  200.435   18.674  162.866   7.2038  171.586   8.0312 -8.720093 10.78864 
1 1 1  -27   10   25 o  176.296   5.4324  210.072   12.832  202.412   16.796  220.814   19.890  172.509   7.1845  180.082   8.1503 -7.572906 10.86485 
1 1 1  -27   10   26 o  122.757   5.4712  103.303   8.7460  105.330   11.005   99.828   14.409  124.483   6.5240  121.032   8.7849 3.451149 10.94246 
1 1 1  -27   10   27 o  129.424   8.1493  114.067   14.293  114.067   14.293   0.0000   0.0000  129.424   8.1493  ?   ?       ?      ? 
1 1 1  -27   10   28 o  171.064   5.9787  198.817   13.859  198.817   13.859   0.0000   0.0000  171.064   5.9787  ?   ?       ?      ? 
1 1 1  -27   10   29 f  120.754   5.5764   99.195   8.7831   98.982   11.014   99.567   14.557  120.655   6.7360  120.854   8.8887 -0.1997147 11.15271 
1 1 1  -27   10   30 o  232.162   5.5604  387.042   16.053  425.865   19.790  312.334   27.452  250.370   5.8328  213.953   9.4684 36.41768 11.12078 
1 1 1  -27   10   31 o  252.674   5.8697  431.587   19.717  418.324   25.348  451.908   31.375  247.916   7.5449  257.432   8.9937 -9.516861 11.73934 
1 1 1  -27   10   32 o  253.383   5.8547  421.152   19.557  372.257   24.457  507.865   32.569  233.836   7.7180  272.931   8.8059 -39.09496 11.70940 
1 1 1  -27   10   33 o  217.387   4.9187  321.975   14.455  312.767   21.003  330.263   19.925  214.395   7.2290  220.379   6.6720 -5.983780 9.837358 
1 1 1  -27   10   34 o  391.835   8.2726  1046.17   43.927  1046.17   43.927   0.0000   0.0000  391.835   8.2726  ?   ?       ?      ? 
1 1 1  -27   10   35 o  293.733   5.1554  587.829   20.499  564.980   29.266  609.834   28.721  288.086   7.4965  299.379   7.0793 -11.29318 10.31086 
1 1 1  -27   10   36 o  189.140   4.9148  244.925   12.509  215.531   17.911  272.916   17.478  177.936   7.4280  200.344   6.4377 -22.40771 9.829525 
1 1 1  -27   10   37 o  103.044   7.3913   71.845   9.8039   70.185   12.041   75.110   16.887  101.441   8.7591  104.648   11.908 -3.207199 14.78255 
1 1 1  -27   10   38 o  125.428   6.7482  108.946   10.851  112.311   13.454  102.682   18.356  128.409   7.7314  122.447   11.063 5.962578 13.49643 
1 1 1  -27   10   39 o  174.924   4.9109  209.352   11.567  195.643   16.994  221.186   15.788  169.509   7.3980  180.340   6.4604 -10.83035 9.821755 
1 1 1  -27   10   40 o  196.294   4.8772  261.560   12.933  270.129   19.184  254.421   17.511  199.208   7.1064  193.381   6.6820 5.827042 9.754479 
1 1 1  -27   10   41 o  136.842   5.2499  128.198   9.6685  120.813   14.286  134.440   13.133  133.139   7.9182  140.546   6.8956 -7.407608 10.49985 
1 1 1  -27   10   42 o  227.307   4.9470  351.824   15.215  350.209   22.104  353.278   20.976  226.780   7.1927  227.833   6.7939 -1.052704 9.894036 
1 1 1  -27   10   43 o  175.590   5.0141  210.418   11.886  203.914   17.428  216.073   16.252  173.004   7.4336  178.175   6.7308 -5.171265 10.02811 
1 1 1  -27   10   44 o  136.452   5.3487  126.858   9.8459  127.339   14.646  126.461   13.300  136.651   7.9089  136.253   7.2031 0.3973083 10.69742 
1 1 1  -27   10   45 o  195.587   6.0251  267.886   15.472  295.732   20.240  228.741   23.997  208.347   7.1687  182.826   9.6860 25.52151 12.05028 
1 1 1  -27   10   46 o  187.386   5.9438  241.373   14.748  247.740   19.083  231.928   23.241  190.641   7.3865  184.131   9.3141 6.509888 11.88755 
1 1 1  -27   10   47 o  215.428   6.9595  311.631   20.111  368.329   31.195  271.310   26.307  231.839   9.9292  199.016   9.7545 32.82385 13.91902 
1 1 1  -27   10   48 o  107.277   6.1078   80.117   8.7131   67.705   12.927   90.450   11.795   99.412   9.5957  115.143   7.5592 -15.73121 12.21555 
1 1 1  -27   10   49 o   93.867   6.3956   60.151   8.0670   61.587   12.290   59.065   10.693   94.791   9.5673   92.943   8.4900 1.847725 12.79118 
1 1 1  -27   10   50 o  121.107   5.7106  100.160   9.3288  101.099   13.904   99.392   12.581  121.575   8.4392  120.640   7.6956 0.9349518 11.42114 
1 1 1  -27   10   51 o  189.602   5.0672  245.250   12.995  246.806   18.988  243.880   17.824  190.128   7.3697  189.076   6.9564 1.052032 10.13431 
1 1 1  -27   10   52 o  123.979   7.1591  104.008   11.399  100.464   13.936  111.175   19.817  121.117   8.4906  126.842   11.529 -5.724632 14.31822 
1 1 1  -27   10   53 o  119.136   7.1020   94.311   10.976   86.727   13.457  109.378   18.969  112.444   8.8316  125.827   11.125 -13.38329 14.20392 
1 1 1  -27   10   54 o  132.542   5.6725  122.449   9.9605   94.523   14.248  149.141   13.930  117.322   8.9618  147.762   6.9566 -30.43999 11.34499 
1 1 1  -27   10   55 o  112.755   7.7819   93.670   10.398   75.629   19.203  101.154   12.368  103.937   13.634  121.574   7.5070 -17.63688 15.56383 
1 1 1  -27   10   56 f   76.759   9.4770   39.231   8.5742   48.250   16.997   36.153   9.9302   81.176   16.020   72.343   10.129 8.833382 18.95407 
1 1 1  -27   10   57 o   62.504   8.9392   28.570   7.3215   23.499   11.177   32.383   9.6901   56.632   14.501   68.377   10.458 -11.74440 17.87847 
1 1 1  -27   10   58 o   36.414   9.7313   7.0020   6.4952   7.7768   10.091   6.4538   8.4873   37.976   14.343   34.852   13.156 3.123852 19.46254 
1 1 1  -27   10   59 o   34.712   9.4913   4.6990   6.3844   10.005   10.070   1.1331   8.2556   40.240   14.477   29.183   12.278 11.05762 18.98264 
1 1 1  -27   10   60 o   98.930   6.2289   66.540   8.2821   79.123   12.599   56.966   10.990  107.064   8.6838   90.796   8.9324 16.26813 12.45777 
1 1 1  -27   10   61 o   76.255   9.0128   39.667   8.3151   46.941   15.645   36.804   9.8162   79.764   15.025   72.745   9.9577 7.019493 18.02551 
1 1 1  -27   10   62 o  102.626   7.6927   76.862   9.6166   66.171   17.295   81.646   11.570   96.435   13.234  108.818   7.8461 -12.38256 15.38537 
1 1 1  -27   10   63 o  149.678   5.2888  154.052   10.688  158.448   15.899  150.428   14.437  151.531   7.7424  147.825   7.2069 3.705887 10.57758 
1 1 1  -27   10   64 o   30.026   8.9359   1.4634   6.2043  -1.0165   9.5450   3.2777   8.1644   29.234   12.761   30.818   12.512 -1.584051 17.87170 
1 1 1  -27   10   65 o   73.788   7.8438   40.211   7.3617   30.609   10.903   48.256   9.9799   64.331   12.955   83.245   8.8468 -18.91386 15.68753 
1 1 1  -27   10   66 o   66.595   8.6612   32.875   7.4865   21.670   10.476   44.570   10.703   53.563   14.202   79.627   9.9187 -26.06383 17.32243 
1 1 1  -27   10   67 o  133.399   7.8920  123.643   14.267  123.643   14.267   0.0000   0.0000  133.399   7.8920  ?   ?       ?      ? 
1 1 1  -27   10   68 o   47.648   10.165   17.374   7.5354   23.114   9.8815   9.3964   11.648   55.273   13.344   40.024   15.339 15.24858 20.33097 
1 1 1  -27   10   69 o  107.548   6.8118   80.890   9.7016   77.662   12.367   86.055   15.643  105.215   8.6739  109.882   10.506 -4.666435 13.62365 
1 1 1  -27   10   70 o   81.731   8.9126   52.759   8.9005   66.181   11.750   34.692   13.633   96.895   8.9488   66.568   15.416 30.32669 17.82510 
1 1 1  -27   10   71 o   58.108   9.9009   26.145   7.6133   26.210   9.8809   26.050   11.943   58.713   12.781   57.504   15.124 1.208675 19.80189 
1 1 1  -27   10   72 o   40.810   10.214   11.345   6.9499   9.1243   8.9162   14.784   11.094   37.131   13.583   44.488   15.259 -7.356514 20.42875 
1 1 1  -27   10   73 o   26.718   8.7633  -7.0761   7.5120  -4.9148   11.330  -8.7714   10.035   28.661   13.091   24.776   11.654 3.885456 17.52663 
1 1 1  -27   10   74 o   33.708   13.866   4.6752   10.192   0.0000   0.0000   4.6752   10.192  ?   ?    33.708   13.866      ?      ? 
1 1 1  -27   10   75 o   57.622   14.142   26.352   10.961   0.0000   0.0000   26.352   10.961  ?   ?    57.622   14.142      ?      ? 
1 1 1  -27   10   76 o   26.763   12.149  -3.5208   9.5690   0.0000   0.0000  -3.5208   9.5690  ?   ?    26.763   12.149      ?      ? 
1 1 1  -27   10   77 o   59.812   14.706   28.959   11.836   0.0000   0.0000   28.959   11.836  ?   ?    59.812   14.706      ?      ? 
1 1 1  -27   10   78 o   52.385   15.387   22.657   11.642   0.0000   0.0000   22.657   11.642  ?   ?    52.385   15.387      ?      ? 
1 1 1  -27   11    1 o  356.446   5.4113  865.294   26.128  873.663   36.552  856.549   37.363  358.236   7.5294  354.655   7.7741 3.581207 10.82264 
1 1 1  -27   11    2 o  287.837   8.9740  565.112   35.004   0.0000   0.0000  565.112   35.004  ?   ?   287.837   8.9740      ?      ? 
1 1 1  -27   11    3 o  164.652   5.3447  184.619   11.921  188.631   16.771  180.522   16.949  166.474   7.4343  162.831   7.6809 3.642365 10.68946 
1 1 1  -27   11    4 o  262.115   5.3220  485.502   17.415  518.223   21.305  419.616   30.232  276.190   5.6923  248.039   8.9941 28.15086 10.64408 
1 1 1  -27   11    5 o  253.913   5.0911  433.127   16.194  424.398   19.396  453.216   29.423  249.939   5.7265  257.888   8.4194 -7.949326 10.18230 
1 1 1  -27   11    6 o  213.118   5.1224  319.817   13.918  345.228   17.409  274.817   23.167  225.428   5.6989  200.807   8.5135 24.62100 10.24484 
1 1 1  -27   11    7 o  252.569   9.1920  435.159   31.461  435.159   31.461   0.0000   0.0000  252.569   9.1920  ?   ?       ?      ? 
1 1 1  -27   11    8 o  276.511   5.4104  533.152   18.691  555.132   22.700  486.882   32.936  285.842   5.8603  267.180   9.0966 18.66223 10.82084 
1 1 1  -27   11    9 o  295.194   5.7251  567.641   21.919  510.982   26.792  682.317   38.117  274.049   7.2144  316.340   8.8916 -42.29056 11.45022 
1 1 1  -27   11   10 o   99.945   5.4225   69.143   7.1899   75.052   9.5166   61.285   10.974  105.059   6.6845   94.830   8.5399 10.22892 10.84492 
1 1 1  -27   11   11 o  215.891   5.1997  330.806   14.171  360.419   17.622  276.599   23.841  230.345   5.6452  201.437   8.7338 28.90811 10.39944 
1 1 1  -27   11   12 o  226.725   4.9147  334.355   14.044  310.546   16.734  391.081   25.829  213.803   5.7756  239.647   7.9535 -25.84424 9.829370 
1 1 1  -27   11   13 o  166.928   4.9937  192.983   10.752  201.591   13.470  177.862   17.851  172.262   5.7701  161.594   8.1520 10.66713 9.987404 
1 1 1  -27   11   14 o  166.471   4.9733  191.424   10.662  198.436   13.301  178.820   17.832  170.910   5.7429  162.033   8.1213 8.877655 9.946677 
1 1 1  -27   11   15 o  213.759   5.6788  316.001   16.176  368.918   22.397  258.297   23.388  232.876   7.0971  194.642   8.8670 38.23416 11.35752 
1 1 1  -27   11   16 o  222.678   4.9674  326.072   13.968  307.927   16.718  368.025   25.421  212.897   5.7947  232.458   8.0697 -19.56050 9.934721 
1 1 1  -27   11   17 o  104.836   5.4010   73.921   7.5738   69.627   9.8320   80.189   11.878  101.164   7.1719  108.507   8.0777 -7.343002 10.80206 
1 1 1  -27   11   18 o  271.089   5.6552  531.341   19.067  594.272   23.652  414.539   32.222  295.743   5.9016  246.435   9.6487 49.30843 11.31041 
1 1 1  -27   11   19 o  294.869   5.4583  568.089   19.757  538.153   23.149  648.381   37.911  281.409   6.0702  308.329   9.0734 -26.92014 10.91666 
1 1 1  -27   11   20 o  243.118   5.5540  428.498   16.838  485.169   21.032  327.326   28.101  267.229   5.8078  219.006   9.4686 48.22237 11.10791 
1 1 1  -27   11   21 o  219.987   5.9520  328.841   17.744  328.841   17.744   0.0000   0.0000  219.987   5.9520  ?   ?       ?      ? 
1 1 1  -27   11   22 f  227.865   5.5515  376.699   15.832  430.640   19.910  283.944   26.108  251.757   5.8359  203.973   9.4455 47.78384 11.10291 
1 1 1  -27   11   23 o  271.065   5.4332  495.738   18.392  488.770   22.006  511.882   33.497  268.180   6.0552  273.949   9.0230 -5.768951 10.86648 
1 1 1  -27   11   24 o  167.528   5.1497  193.141   11.147  198.445   13.924  183.673   18.604  170.883   6.0127  164.173   8.3621 6.710388 10.29938 
1 1 1  -27   11   25 o  275.629   5.7132  544.440   19.636  597.368   24.234  443.262   33.506  296.477   6.0319  254.780   9.7046 41.69684 11.42645 
1 1 1  -27   11   26 o  360.339   6.1458  883.600   27.077  881.311   32.000  889.372   50.808  360.005   6.5594  360.673   10.395 -0.6674805 12.29170 
1 1 1  -27   11   27 o  181.791   5.2999  229.487   12.236  238.693   15.067  211.654   20.970  187.413   5.9327  176.169   8.7840 11.24454 10.59980 
1 1 1  -27   11   28 o  132.029   5.2154  113.128   9.0137   98.856   11.133  140.281   15.357  120.551   6.8151  143.507   7.8966 -22.95645 10.43081 
1 1 1  -27   11   29 o  128.013   5.4954  113.248   9.1352  117.742   11.520  105.636   14.994  131.586   6.4605  124.439   8.8915 7.146957 10.99079 
1 1 1  -27   11   30 o  140.863   5.8418  134.791   11.131  127.696   15.194  143.011   16.353  136.882   8.1910  144.844   8.3314 -7.961670 11.68352 
1 1 1  -27   11   31 o   72.655   8.3694   36.301   8.0239   42.004   12.062   31.775   10.746   78.290   11.370   67.021   12.285 11.26894 16.73881 
1 1 1  -27   11   32 o   94.111   6.5701   61.439   8.1238   64.904   10.468   56.193   12.881   97.599   7.9149   90.622   10.489 6.976318 13.14011 
1 1 1  -27   11   33 o  235.762   6.1264  387.993   19.087  435.409   25.425  326.759   28.893  252.864   7.4197  218.659   9.7509 34.20547 12.25283 
1 1 1  -27   11   34 o  254.646   6.2042  440.934   21.409  440.934   21.409   0.0000   0.0000  254.646   6.2042  ?   ?       ?      ? 
1 1 1  -27   11   35 o  137.685   6.1845  139.097   10.476  158.303   12.985  103.276   17.733  152.567   6.2804  122.802   10.656 29.76501 12.36900 
1 1 1  -27   11   36 o  102.784   8.7227   72.107   12.150   72.107   12.150   0.0000   0.0000  102.784   8.7227  ?   ?       ?      ? 
1 1 1  -27   11   37 o  178.920   4.9254  217.428   11.922  226.626   17.485  209.435   16.299  182.435   7.0725  175.405   6.8571 7.029938 9.850862 
1 1 1  -27   11   38 o  160.404   7.3464  175.287   15.969  175.287   15.969   0.0000   0.0000  160.404   7.3464  ?   ?       ?      ? 
1 1 1  -27   11   39 o  185.458   4.8973  233.467   12.273  243.679   18.190  224.934   16.628  189.145   7.0967  181.770   6.7505 7.375473 9.794518 
1 1 1  -27   11   40 o  164.590   5.6967  179.651   12.467  159.663   15.871  211.862   20.147  153.026   7.6535  176.155   8.4400 -23.12970 11.39339 
1 1 1  -27   11   41 o  123.771   6.3738  106.485   10.489  116.990   14.020   93.132   15.806  130.948   7.9007  116.594   10.004 14.35439 12.74756 
1 1 1  -27   11   42 o  168.050   5.9235  195.369   13.213  207.202   17.359  179.072   20.372  174.332   7.3478  161.768   9.2930 12.56378 11.84693 
1 1 1  -27   11   43 o  200.525   4.9670  274.360   13.450  270.236   19.788  277.902   18.337  199.070   7.3350  201.981   6.6993 -2.910721 9.933943 
1 1 1  -27   11   44 o  212.996   4.9740  309.698   14.317  303.261   20.923  315.366   19.632  210.858   7.3225  215.135   6.7339 -4.277039 9.948050 
1 1 1  -27   11   45 o  170.909   6.1934  197.697   13.139  205.384   24.206  194.487   15.644  172.909   10.331  168.910   6.8345 3.998764 12.38681 
1 1 1  -27   11   46 o  182.298   6.2480  226.770   14.128  229.555   25.893  225.589   16.859  182.708   10.458  181.888   6.8400 0.8201599 12.49598 
1 1 1  -27   11   47 o  203.687   5.0763  284.533   13.943  263.055   20.210  304.041   19.261  196.227   7.6002  211.147   6.7316 -14.92023 10.15267 
1 1 1  -27   11   48 o  229.460   5.0685  359.491   15.722  359.849   23.054  359.179   21.496  229.506   7.4126  229.415   6.9145 0.9132385E-01 10.13691 
1 1 1  -27   11   49 o  119.413   5.7258   96.792   9.2066  104.825   14.008   90.684   12.215  123.697   8.3569  115.129   7.8295 8.567986 11.45160 
1 1 1  -27   11   50 o  226.439   7.5000  350.697   23.014  350.697   23.014   0.0000   0.0000  226.439   7.5000  ?   ?       ?      ? 
1 1 1  -27   11   51 o  221.045   7.4634  337.783   22.343  329.462   31.865  345.831   31.338  218.276   10.773  223.813   10.332 -5.537491 14.92684 
1 1 1  -27   11   52 o   50.409   9.3828   19.892   8.2407  -8.1670   15.450   31.047   9.7421   33.845   15.392   66.972   10.734 -33.12653 18.76552 
1 1 1  -27   11   53 o  110.391   6.1194   85.215   8.9772   74.434   13.534   93.686   11.996  103.860   9.6157  116.922   7.5713 -13.06245 12.23873 
1 1 1  -27   11   54 o  171.461   5.1818  202.461   11.977  186.598   17.364  216.862   16.544  164.902   7.7702  178.020   6.8577 -13.11807 10.36360 
1 1 1  -27   11   55 f  196.092   6.3892  262.715   16.069  257.358   19.680  273.431   27.834  193.672   7.4986  198.512   10.347 -4.840164 12.77834 
1 1 1  -27   11   56 o  129.558   5.5639  116.953   9.6332  101.227   14.164  130.488   13.140  121.154   8.6272  137.961   7.0285 -16.80727 11.12780 
1 1 1  -27   11   57 o  100.681   6.0913   70.393   8.2287   66.612   12.336   73.424   11.045   98.080   9.2812  103.281   7.8916 -5.200775 12.18267 
1 1 1  -27   11   58 o   95.613   9.3504   63.416   12.115   63.416   12.115   0.0000   0.0000   95.613   9.3504  ?   ?       ?      ? 
1 1 1  -27   11   59 o  133.730   5.4433  124.135   9.7822  114.419   14.424  132.411   13.311  128.674   8.2719  138.785   7.0778 -10.11139 10.88667 
1 1 1  -27   11   60 o  141.600   6.6609  144.671   11.659  126.322   20.572  153.353   14.151  133.890   11.338  149.311   6.9937 -15.42075 13.32185 
1 1 1  -27   11   61 o   76.257   8.2512   44.976   7.6555   28.351   11.712   57.378   10.115   61.504   14.320   91.010   8.2019 -29.50573 16.50250 
1 1 1  -27   11   62 o  157.653   5.2618  172.337   11.184  164.306   16.424  179.282   15.273  154.036   7.8680  161.270   6.9887 -7.234207 10.52365 
1 1 1  -27   11   63 o   87.153   6.5959   53.500   7.6984   50.656   11.620   55.725   10.278   84.832   10.108   89.474   8.4764 -4.641846 13.19172 
1 1 1  -27   11   64 o   98.169   7.0471   65.114   9.1718   51.278   11.728   86.900   14.717   85.226   10.155  111.112   9.7739 -25.88607 14.09427 
1 1 1  -27   11   65 o  146.055   7.7168  148.281   15.273  148.281   15.273   0.0000   0.0000  146.055   7.7168  ?   ?       ?      ? 
1 1 1  -27   11   66 o   71.887   10.963   36.969   10.680   36.969   10.680   0.0000   0.0000   71.887   10.963  ?   ?       ?      ? 
1 1 1  -27   11   67 o   88.602   7.3690   53.860   8.6707   43.203   11.097   70.564   13.893   77.740   10.534   99.463   10.307 -21.72333 14.73793 
1 1 1  -27   11   68 o  112.878   10.235   91.115   15.655   0.0000   0.0000   91.115   15.655  ?   ?   112.878   10.235      ?      ? 
1 1 1  -27   11   69 o   80.011   7.8956   46.960   8.2974   49.072   10.689   43.758   13.161   83.025   9.5007   76.998   12.614 6.027412 15.79127 
1 1 1  -27   11   70 o   68.112   8.7347   33.294   7.7580   27.455   9.8559   42.805   12.579   60.023   12.522   76.201   12.181 -16.17786 17.46948 
1 1 1  -27   11   71 o   94.157   8.8589   66.790   11.088   59.483   16.689   72.564   14.835   88.505   13.915   99.810   10.968 -11.30565 17.71783 
1 1 1  -27   11   72 o   79.955   10.038   50.779   10.341   39.778   15.303   60.022   14.028   69.584   16.483   90.326   11.460 -20.74217 20.07507 
1 1 1  -27   11   73 o   42.504   15.340   13.337   11.317   0.0000   0.0000   13.337   11.317  ?   ?    42.504   15.340      ?      ? 
1 1 1  -27   11   74 o   52.382   15.322   22.406   11.566   0.0000   0.0000   22.406   11.566  ?   ?    52.382   15.322      ?      ? 
1 1 1  -27   11   75 o   52.286   15.860   22.653   12.216   0.0000   0.0000   22.653   12.216  ?   ?    52.286   15.860      ?      ? 
1 1 1  -27   11   76 o   56.898   15.717   27.022   12.520   0.0000   0.0000   27.022   12.520  ?   ?    56.898   15.717      ?      ? 
1 1 1  -27   11   77 o   74.435   13.667   43.911   13.277   0.0000   0.0000   43.911   13.277  ?   ?    74.435   13.667      ?      ? 
1 1 1  -27   12    1 o  117.188   5.0434   93.649   7.9454   94.708   10.622   92.305   11.971  117.978   6.6442  116.397   7.5893 1.581337 10.08674 
1 1 1  -27   12    2 o   57.907   9.2266   22.903   7.2403   0.0000   0.0000   22.903   7.2403  ?   ?    57.907   9.2266      ?      ? 
1 1 1  -27   12    3 o  113.692   5.9434   89.362   9.0030   80.165   13.607   96.523   12.007  108.337   9.2685  119.046   7.4426 -10.70924 11.88688 
1 1 1  -27   12    4 o  223.618   4.9353  336.120   13.853  329.337   16.620  351.556   25.074  220.151   5.5711  227.085   8.1482 -6.934418 9.870640 
1 1 1  -27   12    5 o  115.696   4.9568   92.467   7.5249   97.115   9.6567   85.281   12.007  119.525   5.9619  111.867   7.9204 7.658096 9.913504 
1 1 1  -27   12    6 o  184.834   5.5975  232.145   14.020  232.145   14.020   0.0000   0.0000  184.834   5.5975  ?   ?       ?      ? 
1 1 1  -27   12    7 o  175.864   4.7542  204.210   10.746  191.929   13.074  229.778   18.866  168.053   5.7411  183.674   7.5794 -15.62173 9.508325 
1 1 1  -27   12    8 o  108.416   5.2376   81.654   7.4671   87.972   9.7000   72.464   11.699  113.742   6.2932  103.090   8.3742 10.65216 10.47527 
1 1 1  -27   12    9 o   51.942   7.5195   19.162   5.1131   17.905   7.3007   20.372   7.1631   50.172   11.038   53.712   10.215 -3.539860 15.03894 
1 1 1  -27   12   10 o   86.898   5.4539   50.934   6.3845   46.970   8.4839   56.110   9.6948   83.048   7.5385   90.748   7.8835 -7.700005 10.90772 
1 1 1  -27   12   11 f   94.916   5.3260   61.001   6.7883   58.885   8.9480   63.871   10.419   93.015   7.0989   96.817   7.9416 -3.802711 10.65194 
1 1 1  -27   12   12 o  115.390   4.9921   88.941   7.6524   82.722   9.7573   98.880   12.334  110.283   6.5289  120.496   7.5535 -10.21360 9.984111 
1 1 1  -27   12   13 o  101.365   5.3413   69.712   7.2202   68.538   9.3734   71.425   11.322  100.363   6.8920  102.367   8.1620 -2.004707 10.68256 
1 1 1  -27   12   14 o  107.665   6.2262   78.412   8.8804  103.798   13.249   57.702   11.966  123.426   7.9211   91.904   9.6083 31.52149 12.45244 
1 1 1  -27   12   15 o   99.187   5.5962   68.115   7.3446   72.988   9.6249   61.323   11.364  103.571   6.8576   94.804   8.8455 8.767426 11.19243 
1 1 1  -27   12   16 o   97.380   5.4865   64.682   7.1324   65.091   9.3348   64.107   11.056   97.797   7.0437   96.963   8.4138 0.8333282 10.97297 
1 1 1  -27   12   17 o   88.247   6.0313   55.396   6.9050   66.898   9.2451   40.885   10.384   99.154   6.8804   77.339   9.9079 21.81496 12.06262 
1 1 1  -27   12   18 o   56.002   7.6049   22.513   5.5750   13.493   7.8427   31.726   7.9264   43.801   12.561   68.202   8.5763 -24.40059 15.20977 
1 1 1  -27   12   19 o  106.443   6.9352   77.103   10.004   77.103   10.004   0.0000   0.0000  106.443   6.9352  ?   ?       ?      ? 
1 1 1  -27   12   20 o  171.069   5.9414  198.923   13.774  198.923   13.774   0.0000   0.0000  171.069   5.9414  ?   ?       ?      ? 
1 1 1  -27   12   21 o  181.049   4.9844  220.284   11.589  214.505   14.185  231.886   20.099  177.646   5.8924  184.452   8.0409 -6.806046 9.968781 
1 1 1  -27   12   22 o  105.662   5.6612   77.713   7.8711   84.320   10.263   68.276   12.265  111.318   6.8034  100.006   9.0504 11.31226 11.32240 
1 1 1  -27   12   23 o  221.733   5.2559  342.949   14.715  358.747   18.056  311.704   25.392  229.743   5.7995  213.724   8.7672 16.01888 10.51179 
1 1 1  -27   12   24 o  116.971   5.4218   92.652   8.4001   90.625   10.740   95.846   13.480  115.396   6.8683  118.545   8.3911 -3.149048 10.84361 
1 1 1  -27   12   25 o   57.575   8.0364   23.051   6.1371   18.191   8.3932   28.635   8.9967   50.463   12.369   64.687   10.263 -14.22378 16.07280 
1 1 1  -27   12   26 o  116.799   5.6860   96.383   8.6205  108.346   11.176   78.808   13.546  126.196   6.5351  107.403   9.3068 18.79288 11.37207 
1 1 1  -27   12   27 o  128.817   5.5042  115.728   9.2173  123.710   11.746  102.937   14.870  134.852   6.4277  122.782   8.9369 12.07048 11.00830 
1 1 1  -27   12   28 o  124.254   5.9757  112.731   9.3520  134.975   12.069   79.307   14.795  140.864   6.3226  107.645   10.142 33.21831 11.95141 
1 1 1  -27   12   29 o  162.526   5.7148  179.293   12.551  169.080   16.989  191.565   18.624  157.470   7.9614  167.582   8.2008 -10.11180 11.42969 
1 1 1  -27   12   30 o  185.534   5.1639  229.855   12.284  220.708   14.966  248.738   21.504  180.138   6.1308  190.930   8.3111 -10.79259 10.32771 
1 1 1  -27   12   31 o  158.252   5.5703  179.736   11.167  202.311   14.107  141.842   18.277  172.471   6.0358  144.033   9.3640 28.43748 11.14069 
1 1 1  -27   12   32 o  178.553   5.6265  230.488   12.650  262.513   15.969  176.536   20.727  196.460   5.9982  160.646   9.5211 35.81436 11.25297 
1 1 1  -27   12   33 o  214.070   5.5909  306.862   15.886  286.091   20.225  340.313   25.666  204.896   7.2840  223.244   8.4839 -18.34782 11.18183 
1 1 1  -27   12   34 f  124.533   6.2236  108.554   10.244  127.222   13.940   86.639   15.105  136.598   7.5309  112.469   9.9105 24.12942 12.44720 
1 1 1  -27   12   35 o  127.926   7.9393  111.679   13.763  111.679   13.763   0.0000   0.0000  127.926   7.9393  ?   ?       ?      ? 
1 1 1  -27   12   36 o  119.975   6.3040  100.118   10.071  114.232   13.749   83.783   14.792  129.378   7.8423  110.571   9.8721 18.80720 12.60792 
1 1 1  -27   12   37 o  208.151   5.3539  294.135   14.153  291.432   17.201  299.800   24.902  206.923   6.1343  209.378   8.7766 -2.455276 10.70785 
1 1 1  -27   12   38 o  137.087   5.4628  119.113   9.7342   97.258   11.886  163.618   16.962  119.407   7.3457  154.766   8.0877 -35.35885 10.92568 
1 1 1  -27   12   39 o  137.198   6.2249  129.655   11.490  138.531   15.710  119.443   16.850  142.379   8.1421  132.017   9.4184 10.36198 12.44986 
1 1 1  -27   12   40 o  202.807   7.1912  282.585   19.761  278.657   28.012  286.476   27.882  201.378   10.265  204.235   10.074 -2.857925 14.38242 
1 1 1  -27   12   41 f  185.035   10.166  235.333   25.490   0.0000   0.0000  235.333   25.490  ?   ?   185.035   10.166      ?      ? 
1 1 1  -27   12   42 o  135.087   5.3519  122.400   9.6907  150.808   14.788  101.020   12.829  148.606   7.3434  121.567   7.7874 27.03852 10.70372 
1 1 1  -27   12   43 o  215.838   7.2813  318.199   21.297  318.199   21.297   0.0000   0.0000  215.838   7.2813  ?   ?       ?      ? 
1 1 1  -27   12   44 o  121.377   6.7691   99.696   10.035  104.969   19.048   97.670   11.806  123.196   11.410  119.557   7.2872 3.638969 13.53818 
1 1 1  -27   12   45 o  124.126   5.6395  105.573   9.3541  105.064   14.462  105.938   12.265  123.758   8.6231  124.493   7.2703 -0.7343292 11.27893 
1 1 1  -27   12   46 o  168.361   6.5961  206.305   13.496  167.656   24.022  224.132   16.315  155.544   11.397  181.178   6.6449 -25.63347 13.19227 
1 1 1  -27   12   47 o  173.981   6.3523  209.749   13.523  204.298   25.096  211.980   16.053  171.817   10.778  176.146   6.7252 -4.329147 12.70452 
1 1 1  -27   12   48 o   44.217   9.7723   14.000   6.6484   8.6348   10.911   17.169   8.3849   39.742   14.934   48.692   12.608 -8.950508 19.54468 
1 1 1  -27   12   49 o  134.649   8.1496  124.510   14.870  124.510   14.870   0.0000   0.0000  134.649   8.1496  ?   ?       ?      ? 
1 1 1  -27   12   50 o  168.922   6.4096  196.128   13.965  194.692   17.260  198.850   23.761  168.477   7.5599  169.367   10.353 -0.8904266 12.81925 
1 1 1  -27   12   51 o   81.565   6.8338   46.353   7.4474   43.918   11.349   48.194   9.8696   79.512   10.533   83.619   8.7099 -4.106949 13.66757 
1 1 1  -27   12   52 o  144.529   5.2963  144.190   10.282  137.074   15.369  149.955   13.834  141.139   8.0357  147.919   6.9014 -6.780151 10.59250 
1 1 1  -27   12   53 o   65.116   8.3434   31.336   6.9508   25.060   10.759   35.831   9.1062   58.310   13.826   71.923   9.3430 -13.61327 16.68676 
1 1 1  -27   12   54 o   71.303   8.3837   40.669   7.2239   19.859   10.953   56.691   9.6106   51.884   14.834   90.722   7.8173 -38.83795 16.76742 
1 1 1  -27   12   55 o  109.340   5.8347   83.759   8.5006   74.308   12.772   91.274   11.390  103.494   9.1068  115.184   7.2968 -11.68987 11.66949 
1 1 1  -27   12   56 o  151.528   5.1639  158.304   10.548  156.164   15.682  160.072   14.253  150.459   7.6915  152.597   6.8924 -2.138641 10.32789 
1 1 1  -27   12   57 o  138.413   5.3281  131.699   9.9426  137.091   14.950  127.422   13.314  140.843   7.8328  135.984   7.2250 4.859116 10.65611 
1 1 1  -27   12   58 o   57.193   9.0221   24.040   6.7576   25.654   10.378   22.853   8.9038   58.692   13.349   55.693   12.140 2.998917 18.04414 
1 1 1  -27   12   59 o  135.683   6.5260  127.218   11.084  132.460   20.078  124.921   13.292  136.896   10.823  134.470   7.2945 2.425873 13.05191 
1 1 1  -27   12   60 o  148.952   5.2964  154.788   10.601  135.616   15.251  172.712   14.746  139.709   8.0554  158.195   6.8787 -18.48639 10.59273 
1 1 1  -27   12   61 o  106.594   6.8282   80.499   9.6815   83.026   12.678   76.963   14.995  109.034   8.5804  104.153   10.624 4.880821 13.65644 
1 1 1  -27   12   62 o  135.950   6.2152  125.992   11.228  112.592   14.277  147.714   18.178  126.981   8.2970  144.919   9.2562 -17.93789 12.43047 
1 1 1  -27   12   63 o  123.278   6.4076  105.078   10.524   97.226   13.504  117.225   16.796  117.813   8.4586  128.743   9.6272 -10.93038 12.81526 
1 1 1  -27   12   64 f   78.791   10.356   44.331   11.057   44.331   11.057   0.0000   0.0000   78.791   10.356  ?   ?       ?      ? 
1 1 1  -27   12   65 o   52.322   9.9992   21.840   7.4704   26.738   9.8436   15.188   11.472   59.410   12.617   45.235   15.516 14.17513 19.99840 
1 1 1  -27   12   66 o   63.186   9.0355   28.808   7.5512   20.983   9.7720   40.407   11.897   52.015   13.681   74.356   11.807 -22.34104 18.07092 
1 1 1  -27   12   67 o   57.112   9.2682   26.792   7.6668   38.552   10.160   11.237   11.684   73.184   10.245   41.039   15.448 32.14555 18.53646 
1 1 1  -27   12   68 o   79.445   10.336   52.710   10.395   30.528   15.614   70.367   13.930   60.266   17.851   98.625   10.423 -38.35948 20.67148 
1 1 1  -27   12   69 o   52.185   11.599   21.681   9.0612   26.136   14.091   18.540   11.832   56.076   17.038   48.294   15.744 7.782017 23.19829 
1 1 1  -27   12   70 o   54.175   11.464   24.401   9.0738   21.886   14.286   26.102   11.748   51.539   17.318   56.812   15.027 -5.273056 22.92895 
1 1 1  -27   12   71 o   62.821   14.837   31.842   12.430   0.0000   0.0000   31.842   12.430  ?   ?    62.821   14.837      ?      ? 
1 1 1  -27   12   72 o   78.163   12.706   46.285   13.458   0.0000   0.0000   46.285   13.458  ?   ?    78.163   12.706      ?      ? 
1 1 1  -27   12   73 o   50.912   16.171   21.602   12.539   0.0000   0.0000   21.602   12.539  ?   ?    50.912   16.171      ?      ? 
1 1 1  -27   12   74 o   50.540   16.093   21.392   12.412   0.0000   0.0000   21.392   12.412  ?   ?    50.540   16.093      ?      ? 
1 1 1  -27   12   75 o   35.275   14.717   5.6112   11.709   0.0000   0.0000   5.6112   11.709  ?   ?    35.275   14.717      ?      ? 
1 1 1  -27   13    1 o  145.974   4.7476  145.172   9.3895  143.495   13.364  146.807   13.195  145.132   6.7953  146.816   6.6320 -1.684494 9.495209 
1 1 1  -27   13    2 o  168.385   5.1688  192.822   11.587  190.754   15.006  195.876   18.234  167.363   6.6163  169.407   7.9428 -2.043350 10.33752 
1 1 1  -27   13    3 o  130.969   4.9718  117.193   8.3663  117.877   10.325  115.885   14.276  131.646   5.7876  130.293   8.0856 1.353317 9.943507 
1 1 1  -27   13    4 o   60.120   6.9405   24.628   5.4697   20.223   7.2257   30.538   8.3707   53.427   10.354   66.813   9.2453 -13.38579 13.88099 
1 1 1  -27   13    5 o   88.295   7.0165   53.114   8.3953   53.114   8.3953   0.0000   0.0000   88.295   7.0165  ?   ?       ?      ? 
1 1 1  -27   13    6 o   84.651   5.5717   48.272   6.3231   44.961   8.2522   52.981   9.8403   81.207   7.4988   88.096   8.2427 -6.888985 11.14335 
1 1 1  -27   13    7 o  148.426   5.0317  154.729   9.5577  166.005   11.978  134.964   15.858  156.251   5.6567  140.601   8.3231 15.65016 10.06343 
1 1 1  -27   13    8 o  147.687   4.8126  143.361   9.2599  131.091   11.406  167.082   15.859  138.817   6.0634  156.556   7.4752 -17.73930 9.625152 
1 1 1  -27   13    9 o  133.355   5.2081  125.510   8.9578  138.217   11.429  105.273   14.424  142.555   5.9163  124.155   8.5729 18.40056 10.41617 
1 1 1  -27   13   10 o  223.625   5.1413  342.453   14.525  345.496   17.649  336.064   25.571  225.406   5.7779  221.845   8.5057 3.561386 10.28258 
1 1 1  -27   13   11 o  263.540   5.3754  479.906   17.733  490.769   21.461  456.523   31.488  268.629   5.8953  258.451   8.9904 10.17798 10.75086 
1 1 1  -27   13   12 o  307.258   6.1224  644.724   24.995  644.369   32.320  645.252   39.426  307.394   7.7588  307.122   9.4729 0.2718201 12.24482 
1 1 1  -27   13   13 o  244.615   5.7533  408.736   18.865  411.310   24.960  405.306   28.811  245.644   7.4981  243.586   8.7280 2.057678 11.50651 
1 1 1  -27   13   14 o  238.835   5.4731  409.885   16.353  453.479   20.297  329.253   27.604  258.239   5.8001  219.430   9.2833 38.80957 10.94622 
1 1 1  -27   13   15 o  289.807   5.6838  593.453   20.548  630.335   25.086  518.261   35.818  304.404   6.0812  275.209   9.6041 29.19504 11.36752 
1 1 1  -27   13   16 o  270.570   5.4038  495.483   18.240  489.846   21.823  508.552   33.227  268.359   6.0009  272.782   8.9885 -4.423431 10.80755 
1 1 1  -27   13   17 o  231.616   5.2090  368.183   15.235  372.841   18.522  358.440   26.788  234.148   5.8375  229.085   8.6291 5.062393 10.41809 
1 1 1  -27   13   18 o  126.045   6.4755  108.136   11.061  108.136   11.061   0.0000   0.0000  126.045   6.4755  ?   ?       ?      ? 
1 1 1  -27   13   19 o  143.498   5.3617  144.890   9.8870  156.753   12.481  124.906   16.199  151.797   6.0675  135.199   8.8418 16.59750 10.72345 
1 1 1  -27   13   20 o  143.287   5.4805  139.945   10.574  139.285   14.164  140.775   15.893  142.957   7.3112  143.616   8.1663 -0.6586456 10.96098 
1 1 1  -27   13   21 o   86.841   6.4597   51.571   7.6014   52.254   10.759   50.889   10.741   87.420   9.0816   86.262   9.1887 1.158699 12.91934 
1 1 1  -27   13   22 o   81.791   6.7157   46.248   7.3521   38.552   10.509   53.624   10.289   74.984   10.342   88.599   8.5695 -13.61512 13.43147 
1 1 1  -27   13   23 o   60.868   8.5039   26.402   6.7345   25.980   10.043   26.746   9.0778   60.284   12.695   61.451   11.318 -1.167316 17.00781 
1 1 1  -27   13   24 o  127.285   5.6554  109.460   9.7052   97.732   13.001  124.218   14.585  119.660   8.0179  134.909   7.9778 -15.24884 11.31070 
1 1 1  -27   13   25 o  169.527   5.4554  194.722   12.398  187.350   16.245  205.002   19.184  165.782   7.2312  173.271   8.1703 -7.489868 10.91073 
1 1 1  -27   13   26 o  156.595   5.4829  159.793   11.363  125.087   14.467  215.698   18.361  135.377   7.8859  177.814   7.6199 -42.43713 10.96585 
1 1 1  -27   13   27 o  107.881   6.6271   79.340   9.6164   93.775   14.085   66.735   13.161  117.091   8.8765   98.671   9.8429 18.42012 13.25429 
1 1 1  -27   13   28 f  153.525   5.8786  161.725   12.176  175.699   17.006  147.030   17.440  160.432   7.8222  146.619   8.7774 13.81227 11.75712 
1 1 1  -27   13   29 o  169.039   5.1576  191.376   11.296  183.395   13.920  206.763   19.329  164.119   6.2590  173.959   8.1992 -9.839935 10.31515 
1 1 1  -27   13   30 o  199.349   5.4874  283.069   13.835  309.496   17.260  235.573   23.139  213.238   5.9731  185.460   9.2070 27.77835 10.97482 
1 1 1  -27   13   31 o  337.125   6.0034  764.756   24.800  748.346   29.224  806.985   46.880  331.417   6.5069  342.833   10.091 -11.41544 12.00672 
1 1 1  -27   13   32 f  306.061   5.6979  603.947   21.286  561.205   24.767  724.748   41.637  287.015   6.3677  325.107   9.4508 -38.09192 11.39587 
1 1 1  -27   13   33 o  101.700   7.6616   70.649   10.559   70.649   10.559   0.0000   0.0000  101.700   7.6616  ?   ?       ?      ? 
1 1 1  -27   13   34 o   91.882   7.9360   57.716   9.8814   57.716   9.8814   0.0000   0.0000   91.882   7.9360  ?   ?       ?      ? 
1 1 1  -27   13   35 o  180.158   5.1886  215.533   11.977  203.786   14.540  240.323   21.122  172.936   6.2043  187.380   8.3183 -14.44414 10.37729 
1 1 1  -27   13   36 o  126.886   5.6789  109.279   9.3826  107.048   11.690  113.319   15.729  125.243   6.8878  128.528   9.0309 -3.285599 11.35780 
1 1 1  -27   13   37 o  186.047   5.3738  236.471   12.739  236.102   15.563  237.221   22.178  186.113   6.1706  185.981   8.7998 0.1314392 10.74765 
1 1 1  -27   13   38 o  146.093   5.4094  140.213   10.243  127.595   12.526  165.676   17.794  136.719   6.7609  155.468   8.4462 -18.74931 10.81889 
1 1 1  -27   13   39 o   95.192   7.2546   62.652   9.2762   73.234   13.283   52.579   12.960  103.177   9.5001   87.207   10.967 15.97072 14.50923 
1 1 1  -27   13   40 o   69.187   8.9924   34.884   8.0756   25.586   11.725   43.276   11.139   59.204   14.685   79.170   10.382 -19.96670 17.98483 
1 1 1  -27   13   41 o   76.698   7.9663   40.507   8.2340   46.985   12.158   35.017   11.192   82.381   10.890   71.014   11.630 11.36702 15.93256 
1 1 1  -27   13   42 o   46.111   11.973   11.904   8.5280   14.745   18.217   11.106   9.6507   50.903   19.260   41.319   14.228 9.583942 23.94560 
1 1 1  -27   13   43 o   60.348   9.6044   27.255   7.8994   17.566   11.914   34.856   10.553   49.822   15.756   70.873   10.987 -21.05156 19.20883 
1 1 1  -27   13   44 o   44.004   9.5205   13.936   6.2631   10.388   10.048   16.190   8.0092   40.739   14.482   47.269   12.363 -6.530060 19.04096 
1 1 1  -27   13   45 o   79.551   6.7792   43.573   7.1870   44.678   11.290   42.820   9.3190   80.260   10.380   78.842   8.7223 1.418770 13.55846 
1 1 1  -27   13   46 o  108.999   6.8514   76.971   9.2416   95.437   17.741   70.095   10.826  117.011   11.189  100.988   7.9111 16.02377 13.70288 
1 1 1  -27   13   47 o  134.325   7.7568  126.461   14.029  112.019   20.042  140.335   19.644  126.508   11.691  142.141   10.198 -15.63309 15.51363 
1 1 1  -27   13   48 f  105.848   7.5068   80.358   10.315   87.959   13.259   68.707   16.417  112.865   8.6692   98.831   12.258 14.03387 15.01353 
1 1 1  -27   13   49 o  134.621   6.5414  124.874   11.493  122.905   14.387  128.345   19.106  133.558   7.9491  135.685   10.391 -2.126923 13.08283 
1 1 1  -27   13   50 o   93.213   6.2105   62.063   7.5802   49.553   11.493   71.695   10.085   84.323   10.058  102.103   7.2885 -17.77956 12.42101 
1 1 1  -27   13   51 o   37.755   8.5156   9.0469   5.8610  -2.7282   9.3504   16.667   7.5221   27.791   12.359   47.718   11.718 -19.92699 17.03113 
1 1 1  -27   13   52 o  116.629   5.5056   93.437   8.6242   97.496   13.214   90.425   11.383  118.700   8.2147  114.557   7.3323 4.142944 11.01113 
1 1 1  -27   13   53 o  131.141   5.4241  121.291   9.4279   98.705   13.876  140.658   12.849  119.243   8.5873  143.039   6.6288 -23.79634 10.84818 
1 1 1  -27   13   54 o  202.159   5.0276  279.229   13.701  308.086   20.709  256.762   18.272  211.301   7.2323  193.016   6.9859 18.28481 10.05528 
1 1 1  -27   13   55 o  180.772   5.0478  225.642   12.318  225.335   18.227  225.901   16.711  180.508   7.4513  181.036   6.8117 -0.5279388 10.09556 
1 1 1  -27   13   56 o  110.000   5.8192   85.911   8.4772   72.456   12.717   96.672   11.373  101.719   9.2254  118.280   7.0953 -16.56071 11.63840 
1 1 1  -27   13   57 o   78.623   9.3821   45.302   9.5324   46.473   15.207   44.545   12.234   78.288   14.878   78.959   11.434 -0.6708832 18.76413 
1 1 1  -27   13   58 o  131.296   6.1570  120.017   10.827  116.293   14.176  125.231   16.773  129.153   8.0995  133.440   9.2754 -4.287460 12.31401 
1 1 1  -27   13   59 o  111.906   6.7583   90.227   10.016  101.527   13.454   76.182   15.000  120.512   8.2385  103.299   10.716 17.21310 13.51660 
1 1 1  -27   13   60 o  160.779   5.8933  176.231   12.614  156.135   16.102  208.151   20.294  149.482   7.9490  172.077   8.7026 -22.59561 11.78656 
1 1 1  -27   13   61 o   66.950   8.6224   33.203   7.6333   33.757   10.448   32.568   11.179   68.344   11.281   65.556   13.043 2.788345 17.24477 
1 1 1  -27   13   62 o   59.005   12.857   26.547   9.9896   26.547   9.9896   0.0000   0.0000   59.005   12.857  ?   ?       ?      ? 
1 1 1  -27   13   63 o   85.754   9.5470   52.462   11.094   52.462   11.094   0.0000   0.0000   85.754   9.5470  ?   ?       ?      ? 
1 1 1  -27   13   64 o   89.521   7.2236   54.997   8.5306   41.603   10.874   76.435   13.757   75.820   10.583  103.221   9.8346 -27.40073 14.44714 
1 1 1  -27   13   65 o   77.548   9.7945   47.883   9.6749   37.394   14.835   55.645   12.762   67.633   16.364   87.463   10.768 -19.83013 19.58893 
1 1 1  -27   13   66 o   71.026   10.430   39.778   9.5525   41.512   15.118   38.626   12.324   71.422   16.016   70.630   13.366 0.7920074 20.86005 
1 1 1  -27   13   67 o   52.200   11.347   22.165   8.6691   23.023   13.909   21.620   11.086   52.648   17.064   51.751   14.961 0.8976707 22.69449 
1 1 1  -27   13   68 o   82.473   9.4315   51.351   10.212   62.456   15.643   43.103   13.480   90.941   12.693   74.005   13.954 16.93615 18.86306 
1 1 1  -27   13   69 o   52.812   11.328   23.445   9.1832   15.973   13.638   29.644   12.421   45.491   16.775   60.132   15.227 -14.64110 22.65528 
1 1 1  -27   13   70 o   66.019   15.157   35.675   13.273   0.0000   0.0000   35.675   13.273  ?   ?    66.019   15.157      ?      ? 
1 1 1  -27   13   71 o   87.707   12.463   58.507   14.812   0.0000   0.0000   58.507   14.812  ?   ?    87.707   12.463      ?      ? 
1 1 1  -27   13   72 o   50.994   16.026   21.979   12.343   0.0000   0.0000   21.979   12.343  ?   ?    50.994   16.026      ?      ? 
1 1 1  -27   13   73 o   24.522   11.707 -11.0964   10.877   0.0000   0.0000 -11.0964   10.877  ?   ?    24.522   11.707      ?      ? 
1 1 1  -27   13   74 o   73.372   14.598   44.278   14.004   0.0000   0.0000   44.278   14.004  ?   ?    73.372   14.598      ?      ? 
1 1 1  -27   14    1 o  192.532   4.6755  252.637   12.193  244.644   16.922  261.267   17.583  189.372   6.5939  195.693   6.6305 -6.320648 9.351073 
1 1 1  -27   14    2 o   78.252   6.0221   41.798   6.3726   44.393   9.3919   39.583   8.6751   80.485   8.6110   76.019   8.4211 4.466972 12.04430 
1 1 1  -27   14    3 o  240.634   7.2806  395.493   23.742  395.493   23.742   0.0000   0.0000  240.634   7.2806  ?   ?       ?      ? 
1 1 1  -27   14    4 o  235.935   5.1705  376.997   15.175  372.228   18.112  388.233   27.800  233.815   5.7163  238.055   8.6174 -4.239838 10.34101 
1 1 1  -27   14    5 o  140.969   5.0630  135.393   9.1947  134.793   11.352  136.538   15.678  140.678   5.9547  141.259   8.1902 -0.5810699 10.12605 
1 1 1  -27   14    6 o   75.733   6.2766   39.127   6.3256   38.374   8.1704   40.253   9.9942   74.904   8.0493   76.561   9.6329 -1.657402 12.55322 
1 1 1  -27   14    7 o  143.525   5.1950  146.072   9.4427  158.055   11.751  124.229   15.865  152.376   5.6907  134.675   8.6930 17.70161 10.39005 
1 1 1  -27   14    8 o  183.545   5.1370  236.355   11.942  249.539   14.740  211.167   20.373  191.468   5.6808  175.622   8.5605 15.84570 10.27397 
1 1 1  -27   14    9 o  141.139   5.0019  135.654   9.1440  134.995   11.358  136.867   15.414  140.798   5.9530  141.480   8.0398 -0.6821442 10.00385 
1 1 1  -27   14   10 o   53.922   7.7530   20.126   5.5666   14.228   7.4811   27.442   8.3322   44.623   12.077   63.221   9.7256 -18.59821 15.50607 
1 1 1  -27   14   11 o   77.069   7.0044   40.434   7.2820   45.035   10.938   36.772   9.7589   80.965   9.9694   73.174   9.8415 7.791328 14.00875 
1 1 1  -27   14   12 o  113.188   5.6057   91.537   8.1600  104.419   10.528   72.152   12.914  123.801   6.2753  102.576   9.2906 21.22426 11.21138 
1 1 1  -27   14   13 o  104.237   5.4133   74.075   7.5074   73.460   9.7163   74.986   11.826  103.779   6.9089  104.694   8.3356 -0.9146957 10.82659 
1 1 1  -27   14   14 f  101.326   5.8470   73.417   7.6440   85.161   9.9727   56.689   11.902  111.772   6.5841   90.879   9.6643 20.89310 11.69391 
1 1 1  -27   14   15 o  108.742   5.5382   81.998   7.9234   86.377   10.223   75.411   12.539  112.555   6.7024  104.929   8.8186 7.626221 11.07649 
1 1 1  -27   14   16 o   64.032   9.6295   28.142   8.3557   28.142   8.3557   0.0000   0.0000   64.032   9.6295  ?   ?       ?      ? 
1 1 1  -27   14   17 o   53.056   11.555   20.158   8.0722   20.158   8.0722   0.0000   0.0000   53.056   11.555  ?   ?       ?      ? 
1 1 1  -27   14   18 o  144.317   5.0878  136.930   9.5232  125.386   11.665  160.001   16.491  135.648   6.3457  152.985   7.9545 -17.33682 10.17559 
1 1 1  -27   14   19 o  189.525   5.1420  245.154   12.392  245.034   15.111  245.400   21.653  189.701   5.8781  189.350   8.4384 0.3500824 10.28394 
1 1 1  -27   14   20 o  139.793   5.1908  131.016   9.4742  124.828   11.779  142.352   15.944  135.330   6.4230  144.257   8.1562 -8.926819 10.38168 
1 1 1  -27   14   21 o   76.656   6.5835   39.463   6.7625   32.966   8.8859   48.406   10.424   69.302   9.4618   84.011   9.1565 -14.70981 13.16693 
1 1 1  -27   14   22 o  140.858   5.2719  133.600   9.6884  128.648   12.058  142.617   16.273  137.369   6.4776  144.347   8.3193 -6.978302 10.54374 
1 1 1  -27   14   23 o  238.730   5.4535  400.236   16.305  419.574   19.889  360.602   28.473  248.197   5.9134  229.262   9.1648 18.93530 10.90698 
1 1 1  -27   14   24 o  230.068   5.2260  344.373   15.081  318.768   17.889  407.274   28.038  216.291   6.1032  243.844   8.4850 -27.55247 10.45199 
1 1 1  -27   14   25 o   82.021   6.8443   47.454   7.3835   53.221   9.7568   39.724   11.295   88.175   8.1654   75.866   10.986 12.30892 13.68852 
1 1 1  -27   14   26 o  191.681   5.8277  254.759   14.943  284.273   20.438  220.859   21.903  203.956   7.3945  179.405   9.0094 24.55164 11.65539 
1 1 1  -27   14   27 o  194.133   5.2254  254.274   12.965  247.844   15.797  267.546   22.695  190.686   6.1133  197.579   8.4762 -6.893234 10.45078 
1 1 1  -27   14   28 o   89.353   6.4446   51.958   7.3821   32.412   9.4233   83.009   11.877   68.590   10.138  110.116   7.9593 -41.52577 12.88927 
1 1 1  -27   14   29 o  168.844   5.2767  193.346   11.494  189.770   14.167  200.234   19.662  166.808   6.2673  170.881   8.4909 -4.072571 10.55345 
1 1 1  -27   14   30 o  135.497   5.9878  125.497   10.973  115.468   15.065  136.831   16.014  129.731   8.5691  141.264   8.3656 -11.53322 11.97551 
1 1 1  -27   14   31 o  115.874   8.7166   92.189   13.687   92.189   13.687   0.0000   0.0000  115.874   8.7166  ?   ?       ?      ? 
1 1 1  -27   14   32 o   57.021   14.047   23.683   10.783   23.683   10.783   0.0000   0.0000   57.021   14.047  ?   ?       ?      ? 
1 1 1  -27   14   33 o  138.168   5.9861  130.855   11.190  127.466   15.324  134.727   16.379  136.290   8.2973  140.046   8.6306 -3.755981 11.97216 
1 1 1  -27   14   34 o  158.582   5.8449  170.298   12.476  149.647   16.582  197.237   18.939  147.647   8.2874  169.517   8.2445 -21.87032 11.68990 
1 1 1  -27   14   35 o  108.041   5.8934   79.634   8.4457   77.604   10.823   82.796   13.506  106.430   7.5039  109.651   9.0896 -3.221512 11.78682 
1 1 1  -27   14   36 o  139.997   5.4805  133.437   10.040  130.689   12.595  138.227   16.629  138.245   6.7230  141.750   8.6570 -3.505264 10.96091 
1 1 1  -27   14   37 o  128.457   5.6792  112.731   9.6123  110.805   12.195  115.890   15.619  127.210   7.0743  129.704   8.8863 -2.494461 11.35833 
1 1 1  -27   14   38 o  126.031   5.5864  103.828   9.2783   87.357   11.586  133.273   15.491  112.839   7.5771  139.223   8.2109 -26.38425 11.17282 
1 1 1  -27   14   39 o  139.905   5.5522  132.815   10.134  128.510   12.627  140.607   16.987  137.000   6.8014  142.810   8.7778 -5.809692 11.10447 
1 1 1  -27   14   40 o  128.111   5.5589  106.954   9.3453   90.563   11.579  137.581   15.828  114.863   7.4389  141.360   8.2626 -26.49765 11.11788 
1 1 1  -27   14   41 o  129.779   6.4766  117.994   11.159  144.291   15.756   91.523   15.808  144.786   8.0303  114.773   10.164 30.01309 12.95315 
1 1 1  -27   14   42 o   60.995   8.6809   28.663   6.9177   37.764   9.1847   16.733   10.516   73.862   9.1761   48.128   14.739 25.73375 17.36172 
1 1 1  -27   14   43 o   65.633   8.5806   34.664   7.0745   47.875   9.3033   16.552   10.893   83.304   8.2412   47.962   15.053 35.34131 17.16119 
1 1 1  -27   14   44 f   46.466   9.4813   15.420   6.2914   12.873   8.3527   18.759   9.5646   42.481   13.156   50.451   13.656 -7.970196 18.96266 
1 1 1  -27   14   45 o   71.401   8.2897   39.532   7.2195   48.821   9.3363   25.717   11.386   84.061   8.1959   58.740   14.412 25.32054 16.57948 
1 1 1  -27   14   46 o   91.938   8.1063   58.428   10.100   58.428   10.100   0.0000   0.0000   91.938   8.1063  ?   ?       ?      ? 
1 1 1  -27   14   47 o  149.033   6.5848  152.593   13.299  152.593   13.299   0.0000   0.0000  149.033   6.5848  ?   ?       ?      ? 
1 1 1  -27   14   48 o   82.754   6.5384   48.323   7.1570   44.707   11.161   50.849   9.3273   79.807   10.320   85.701   8.0314 -5.894234 13.07678 
1 1 1  -27   14   49 o   73.295   7.4821   39.667   6.9121   32.022   10.751   45.053   9.0244   66.017   12.475   80.573   8.2650 -14.55577 14.96417 
1 1 1  -27   14   50 o   71.085   7.4864   34.447   6.8687   47.698   11.029   26.049   8.7793   82.419   9.8743   59.751   11.255 22.66791 14.97286 
1 1 1  -27   14   51 f  145.675   5.1971  146.305   10.193  151.321   15.420  142.413   13.583  147.736   7.7022  143.614   6.9796 4.122467 10.39418 
1 1 1  -27   14   52 o  142.032   6.0614  133.894   11.370  104.061   14.410  183.089   18.505  122.035   8.7139  162.030   8.4279 -39.99520 12.12273 
1 1 1  -27   14   53 o   80.525   8.3839   46.025   8.4662   28.684   11.136   69.774   13.032   61.566   13.701   99.484   9.6669 -37.91754 16.76776 
1 1 1  -27   14   54 o   73.070   15.503   41.285   14.875   41.285   14.875   0.0000   0.0000   73.070   15.503  ?   ?       ?      ? 
1 1 1  -27   14   55 o  104.822   12.299   79.857   17.470   79.857   17.470   0.0000   0.0000  104.822   12.299  ?   ?       ?      ? 
1 1 1  -27   14   56 o   99.789   12.443   72.755   16.827   72.755   16.827   0.0000   0.0000   99.789   12.443  ?   ?       ?      ? 
1 1 1  -27   14   57 o   66.597   8.6094   32.104   7.5437   27.289   9.8583   38.908   11.718   60.087   12.514   73.107   11.828 -13.02003 17.21880 
1 1 1  -27   14   58 f   51.812   9.3140   19.882   6.8508   11.571   9.1611   30.427   10.319   40.168   13.861   63.455   12.445 -23.28681 18.62799 
1 1 1  -27   14   59 o   57.151   9.4168   25.598   7.1563   28.403   9.5666   22.034   10.783   61.409   11.926   52.892   14.577 8.517185 18.83362 
1 1 1  -27   14   60 o   49.438   8.8179   18.825   7.2357   31.739   9.6566   2.2912   10.926   66.145   10.773   32.730   13.963 33.41516 17.63579 
1 1 1  -27   14   61 o   42.481   15.714   12.779   11.986   12.779   11.986   0.0000   0.0000   42.481   15.714  ?   ?       ?      ? 
1 1 1  -27   14   62 o   47.798   10.618   18.528   7.9646   11.846   12.762   22.790   10.193   41.898   16.056   53.697   13.900 -11.79875 21.23668 
1 1 1  -27   14   63 o   47.189   11.088   17.528   8.1638   18.434   12.995   16.937   10.493   48.067   16.513   46.312   14.802 1.755310 22.17592 
1 1 1  -27   14   64 o   31.115   9.2029   0.4537   7.3607 -13.3710   11.886   9.0545   9.3748   25.304   12.123   36.926   13.850 -11.62129 18.40585 
1 1 1  -27   14   65 o   45.940   11.095   16.728   8.6717   9.9287   13.190   21.904   11.509   40.169   16.045   51.711   15.328 -11.54136 22.19007 
1 1 1  -27   14   66 o   86.029   9.8525   59.780   10.694   42.593   15.659   74.799   14.638   71.253   16.536  100.806   10.716 -29.55344 19.70491 
1 1 1  -27   14   67 o   92.608   10.318   72.426   11.506   35.068   16.382  108.793   16.164   62.937   18.186  122.279   9.7545 -59.34184 20.63652 
1 1 1  -27   14   68 o   41.541   15.332   12.926   11.398   0.0000   0.0000   12.926   11.398  ?   ?    41.541   15.332      ?      ? 
1 1 1  -27   14   69 o   63.344   15.422   33.571   13.115   0.0000   0.0000   33.571   13.115  ?   ?    63.344   15.422      ?      ? 
1 1 1  -27   14   70 o   73.795   14.240   44.212   13.725   0.0000   0.0000   44.212   13.725  ?   ?    73.795   14.240      ?      ? 
1 1 1  -27   14   71 o   64.176   15.457   34.977   13.283   0.0000   0.0000   34.977   13.283  ?   ?    64.176   15.457      ?      ? 
1 1 1  -27   14   72 o   39.343   15.243   11.294   11.593   0.0000   0.0000   11.294   11.593  ?   ?    39.343   15.243      ?      ? 
1 1 1  -27   15    1 o  101.080   9.9410   80.271   9.8335   84.869   10.992   61.848   22.005  111.283   7.2890   90.876   18.498 20.40720 19.88190 
1 1 1  -27   15    2 o  143.065   4.9211  139.732   9.5277  131.108   13.109  149.392   13.872  138.391   6.9898  147.739   6.9289 -9.348068 9.842137 
1 1 1  -27   15    3 o  101.515   5.4955   69.786   7.3366   67.064   9.2353   74.443   12.079   99.001   6.8838  104.028   8.5682 -5.026627 10.99096 
1 1 1  -27   15    4 o   88.639   6.3948   54.493   7.6119   57.548   10.291   50.803   11.310   91.516   8.2985   85.762   9.7318 5.753532 12.78959 
1 1 1  -27   15    5 o   81.590   6.7012   46.107   7.3774   48.938   10.198   42.998   10.685   84.311   8.9262   78.869   9.9973 5.441208 13.40233 
1 1 1  -27   15    6 o   77.076   6.8087   40.968   7.1088   39.502   9.9121   42.521   10.201   75.651   9.6687   78.501   9.5891 -2.849808 13.61741 
1 1 1  -27   15    7 o   82.619   6.6633   47.052   7.4513   50.188   10.639   44.032   10.440   85.355   9.1976   79.883   9.6438 5.471680 13.32662 
1 1 1  -27   15    8 o  136.551   5.6238  128.903   10.301  136.757   13.898  119.328   15.345  141.342   7.2557  131.759   8.5943 9.583801 11.24754 
1 1 1  -27   15    9 o   96.702   8.0464   63.890   9.7729   67.829   17.691   62.160   11.724   98.385   13.269   95.019   9.1052 3.365997 16.09271 
1 1 1  -27   15   10 o  115.109   5.8530   90.477   9.1052   83.059   12.376   99.231   13.444  109.989   8.3031  120.230   8.2515 -10.24136 11.70592 
1 1 1  -27   15   11 o  117.697   5.8664   94.342   9.3193   85.624   12.545  105.076   13.920  111.680   8.2895  123.714   8.3033 -12.03446 11.73288 
1 1 1  -27   15   12 o   87.244   6.6347   52.487   7.8371   50.812   11.192   54.098   10.978   85.840   9.6214   88.648   9.1382 -2.807503 13.26947 
1 1 1  -27   15   13 o   81.593   7.0482   45.989   7.7863   45.308   11.196   46.626   10.836   80.972   10.203   82.214   9.7263 -1.242462 14.09633 
1 1 1  -27   15   14 o   97.157   6.4252   64.729   8.4427   61.137   11.506   68.920   12.427   94.261   9.0075  100.054   9.1651 -5.793251 12.85050 
1 1 1  -27   15   15 o  104.398   8.6286   74.901   12.207   74.901   12.207   0.0000   0.0000  104.398   8.6286  ?   ?       ?      ? 
1 1 1  -27   15   16 o  125.852   5.9345  108.341   10.078  104.413   13.540  113.219   15.090  123.362   8.0994  128.341   8.6761 -4.979012 11.86907 
1 1 1  -27   15   17 o  108.875   6.2992   80.672   9.1756   64.332   12.355  100.765   13.701   96.614   9.4371  121.137   8.3463 -24.52358 12.59841 
1 1 1  -27   15   18 f   90.337   6.8215   56.246   8.3449   53.355   11.632   59.311   11.978   87.928   9.7625   92.746   9.5303 -4.818199 13.64304 
1 1 1  -27   15   19 f  135.514   5.3733  123.793   9.5184  118.424   11.864  133.490   15.946  131.635   6.6508  139.393   8.4414 -7.758011 10.74665 
1 1 1  -27   15   20 o   84.622   6.4545   49.468   7.2760   50.173   9.5009   48.467   11.315   85.486   8.2014   83.758   9.9688 1.727707 12.90891 
1 1 1  -27   15   21 o   80.864   6.4496   44.108   6.9932   38.230   9.1388   52.414   10.863   74.508   9.0512   87.220   9.1906 -12.71243 12.89926 
1 1 1  -27   15   22 o   73.553   6.8042   37.343   6.7058   37.349   8.8511   37.335   10.274   73.662   8.8669   73.444   10.323 0.2175980 13.60833 
1 1 1  -27   15   23 o   88.153   6.4841   55.566   7.4099   62.865   9.6259   44.950   11.609   95.785   7.4159   80.522   10.639 15.26287 12.96825 
1 1 1  -27   15   24 o   86.374   7.1558   51.643   8.3563   51.360   12.219   51.891   11.454   86.088   10.474   86.660   9.7532 -0.5717621 14.31157 
1 1 1  -27   15   25 o  135.770   5.5105  126.920   9.7312  128.032   12.197  124.972   16.142  136.838   6.5773  134.701   8.8433 2.136993 11.02110 
1 1 1  -27   15   26 o  109.608   5.8476   82.976   8.3905   84.106   10.623   81.100   13.681  110.818   7.0738  108.398   9.3133 2.420784 11.69516 
1 1 1  -27   15   27 o  124.997   5.5702  106.165   9.1218  102.973   11.438  111.742   15.118  122.642   6.8825  127.352   8.7601 -4.710075 11.14034 
1 1 1  -27   15   28 o  146.852   5.3673  146.628   10.225  143.333   12.675  152.768   17.301  144.769   6.4610  148.935   8.5724 -4.165314 10.73458 
1 1 1  -27   15   29 o   96.612   6.2587   61.210   7.9375   52.387   9.8416   77.630   13.426   87.240   8.3247  105.983   9.3481 -18.74310 12.51746 
1 1 1  -27   15   30 f   93.135   7.5774   59.565   9.5635   59.565   9.5635   0.0000   0.0000   93.135   7.5774  ?   ?       ?      ? 
1 1 1  -27   15   31 o  126.497   6.0084  118.483   9.4765  139.645   12.053   84.221   15.336  142.896   6.2242  110.098   10.279 32.79840 12.01683 
1 1 1  -27   15   32 o  148.551   5.4075  151.793   10.350  152.045   12.804  151.318   17.580  149.061   6.3386  148.042   8.7629 1.018814 10.81509 
1 1 1  -27   15   33 o   84.094   6.6897   49.533   7.4032   51.442   9.5197   46.613   11.776   86.410   8.1298   81.777   10.626 4.632668 13.37945 
1 1 1  -27   15   34 o  143.859   5.4231  140.230   10.131  135.096   12.537  149.893   17.199  140.407   6.5888  147.310   8.6155 -6.902664 10.84618 
1 1 1  -27   15   35 o  126.665   5.6418  110.489   9.3195  110.248   11.690  110.909   15.437  126.768   6.8052  126.562   9.0006 0.2049942 11.28363 
1 1 1  -27   15   36 o   43.075   9.2089   12.685   6.0075   7.9778   8.0858   18.486   8.9754   36.019   12.971   50.131   13.076 -14.11141 18.41775 
1 1 1  -27   15   37 o  123.356   5.5724  101.677   8.9918   93.246   11.146  117.393   15.217  116.475   7.0614  130.236   8.6224 -13.76047 11.14488 
1 1 1  -27   15   38 o   52.326   9.0890   19.435   6.3991   14.768   8.3307   26.151   9.9940   44.988   12.959   59.665   12.748 -14.67719 18.17809 
1 1 1  -27   15   39 o   78.209   7.6947   43.080   8.1219   38.893   11.515   47.225   11.457   74.271   11.441   82.147   10.292 -7.875740 15.38935 
1 1 1  -27   15   40 o   92.353   6.3332   58.481   7.7405   55.721   9.8369   62.970   12.544   89.744   8.0885   94.961   9.7475 -5.217102 12.66638 
1 1 1  -27   15   41 o   74.139   7.1396   36.892   7.0189   29.396   8.9519   48.853   11.309   64.749   10.202   83.529   9.9904 -18.78025 14.27924 
1 1 1  -27   15   42 o   52.784   9.0725   20.053   6.4063   15.947   8.3640   25.882   9.9646   46.444   12.853   59.123   12.807 -12.67883 18.14492 
1 1 1  -27   15   43 o   58.056   8.7587   25.781   6.6756   30.356   8.6226   18.938   10.547   65.829   9.6658   50.283   14.609 15.54610 17.51749 
1 1 1  -27   15   44 o   52.073   9.1613   19.315   6.4939   13.584   8.4427   27.617   10.162   43.121   13.206   61.025   12.701 -17.90446 18.32266 
1 1 1  -27   15   45 f   83.984   8.4123   49.121   9.5740   49.121   9.5740   0.0000   0.0000   83.984   8.4123  ?   ?       ?      ? 
1 1 1  -27   15   46 o  116.720   6.2065   91.241   9.5708   68.608   12.291  126.104   15.254   98.935   9.1675  134.505   8.3690 -35.56954 12.41306 
1 1 1  -27   15   47 o   49.562   9.8291   18.530   6.9630   22.414   9.8832   14.701   9.8115   54.428   13.472   44.696   14.316 9.731388 19.65815 
1 1 1  -27   15   48 o   50.428   9.8678   19.398   7.0891   23.438   9.8914   15.131   10.165   55.637   13.300   45.220   14.581 10.41779 19.73561 
1 1 1  -27   15   49 o   93.282   6.9306   61.410   8.7215   59.578   11.721   63.682   13.054   91.885   9.4136   94.680   10.174 -2.795815 13.86111 
1 1 1  -27   15   50 o  104.085   6.5459   75.611   9.1695   69.254   12.129   84.090   14.008   99.140   9.0282  109.030   9.4808 -9.889839 13.09179 
1 1 1  -27   15   51 o   38.481   9.8894   9.6244   6.7182   7.2688   9.3147   12.178   9.6989   35.656   13.704   41.307   14.262 -5.650482 19.77887 
1 1 1  -27   15   52 o   75.835   8.0610   42.770   7.9170   48.360   10.773   36.206   11.674   82.457   9.6410   69.213   12.922 13.24396 16.12206 
1 1 1  -27   15   53 o   63.534   10.502   32.648   8.7800   27.083   14.178   36.109   11.182   57.757   16.984   69.311   12.358 -11.55381 21.00469 
1 1 1  -27   15   54 o   36.825   10.071   7.7980   7.3660   1.3201   12.251   11.466   9.2185   33.664   14.577   39.986   13.898 -6.322243 20.14102 
1 1 1  -27   15   55 o   31.748   9.1517   4.0853   6.2325   5.4000   8.6473   2.6641   8.9909   32.817   13.029   30.679   12.856 2.137741 18.30349 
1 1 1  -27   15   56 o   66.641   10.124   34.689   8.7930   36.332   13.498   33.478   11.590   67.525   15.126   65.757   13.459 1.767929 20.24718 
1 1 1  -27   15   57 o   73.942   9.6287   43.011   9.2034   35.447   13.916   48.892   12.270   66.121   15.755   81.762   11.074 -15.64117 19.25745 
1 1 1  -27   15   58 o   42.403   10.939   12.966   8.0735   14.010   12.575   12.234   10.531   43.719   16.110   41.088   14.802 2.630802 21.87715 
1 1 1  -27   15   59 o   39.110   15.652   8.8958   12.577   8.8958   12.577   0.0000   0.0000   39.110   15.652  ?   ?       ?      ? 
1 1 1  -27   15   60 o   32.744   9.8929   2.5565   7.6289   4.1917   12.094   1.4757   9.8320   34.990   14.799   30.499   13.133 4.491135 19.78576 
1 1 1  -27   15   61 o   37.555   10.174   7.6751   8.1739  -5.3897   13.236   15.728   10.392   30.461   14.001   44.648   14.765 -14.18691 20.34717 
1 1 1  -27   15   64 o   30.598   13.786  -2.0835   12.052  -2.0835   12.052   0.0000   0.0000   30.598   13.786  ?   ?       ?      ? 
1 1 1  -27   15   65 o   30.821   9.6898  -2.4885   8.1987   5.6508   12.623  -8.4280   10.783   36.030   15.172   25.611   12.057 10.41893 19.37959 
1 1 1  -27   15   66 o   78.311   14.151   49.521   14.464   0.0000   0.0000   49.521   14.464  ?   ?    78.311   14.151      ?      ? 
1 1 1  -27   15   67 o   38.646   15.281   10.068   11.852   0.0000   0.0000   10.068   11.852  ?   ?    38.646   15.281      ?      ? 
1 1 1  -27   15   68 o   42.629   15.984   14.484   12.485   0.0000   0.0000   14.484   12.485  ?   ?    42.629   15.984      ?      ? 
1 1 1  -27   15   69 o   85.704   13.264   58.501   15.405   0.0000   0.0000   58.501   15.405  ?   ?    85.704   13.264      ?      ? 
1 1 1  -27   15   70 f   71.922   15.212   44.398   14.363   0.0000   0.0000   44.398   14.363  ?   ?    71.922   15.212      ?      ? 
1 1 1  -27   16    1 o  106.082   5.2806   77.536   7.5540   67.817   10.524   87.866   10.849   99.136   7.8336  113.028   7.0834 -13.89285 10.56119 
1 1 1  -27   16    2 f   62.004   7.3915   27.426   6.0313   24.624   8.6730   30.050   8.3930   58.269   11.392   65.740   9.4212 -7.471291 14.78296 
1 1 1  -27   16    3 o  138.531   5.2071  134.195   9.0595  138.007   11.018  126.235   15.919  142.043   5.7239  135.018   8.7002 7.024170 10.41423 
1 1 1  -27   16    4 o  122.270   5.1575   99.440   8.0604   93.138   9.7482  113.060   14.332  116.610   6.1689  127.930   8.2670 -11.32039 10.31498 
1 1 1  -27   16    5 o  104.589   5.3688   69.044   7.2213   56.586   8.6929   96.784   12.971   90.748   7.0688  118.429   8.0825 -27.68131 10.73754 
1 1 1  -27   16    6 o   66.815   7.3819   32.258   6.1246   33.760   7.6166   29.510   10.303   69.960   8.0339   63.670   12.387 6.289505 14.76381 
1 1 1  -27   16    7 o   61.488   8.5481   27.459   6.8677   26.307   9.5992   28.667   9.8296   60.101   12.203   62.874   11.974 -2.773006 17.09628 
1 1 1  -27   16    8 o   54.389   8.3346   22.051   5.9233   24.788   7.5318   17.613   9.5897   59.782   9.2971   48.996   13.836 10.78614 16.66913 
1 1 1  -27   16    9 o  152.333   5.1733  157.058   10.000  152.659   12.096  166.558   17.775  149.378   5.9754  155.288   8.4467 -5.909378 10.34659 
1 1 1  -27   16   10 o  181.329   5.1561  221.525   11.722  214.517   14.020  237.804   21.368  177.118   5.8411  185.540   8.4985 -8.422150 10.31227 
1 1 1  -27   16   11 o  107.612   5.3943   76.157   7.5994   66.999   9.3922   93.521   12.932   98.787   7.0159  116.437   8.1958 -17.64981 10.78858 
1 1 1  -27   16   12 o   75.050   8.1851   38.850   8.3245   38.850   8.3245   0.0000   0.0000   75.050   8.1851  ?   ?       ?      ? 
1 1 1  -27   16   13 o  134.022   6.2440  122.975   11.340  122.975   11.340   0.0000   0.0000  134.022   6.2440  ?   ?       ?      ? 
1 1 1  -27   16   14 o  127.781   5.4607  114.090   8.9423  117.950   11.098  106.947   15.099  131.257   6.2394  124.304   8.9635 6.952209 10.92131 
1 1 1  -27   16   15 o   83.212   6.3991   46.703   7.0556   42.418   8.9280   53.830   11.515   78.383   8.4051   88.040   9.6513 -9.656639 12.79820 
1 1 1  -27   16   16 o  123.635   5.4085   99.856   8.6494   88.607   10.524  123.271   15.184  113.645   6.8335  133.625   8.3852 -19.98035 10.81700 
1 1 1  -27   16   17 o  184.063   5.3183  234.319   12.316  236.538   14.921  229.579   21.813  185.963   5.9210  182.162   8.8362 3.801315 10.63662 
1 1 1  -27   16   18 o  143.077   5.3212  136.841   9.8063  128.631   11.964  153.650   17.118  137.013   6.4436  149.141   8.4699 -12.12871 10.64240 
1 1 1  -27   16   19 o   68.095   7.6079   33.148   6.6631   34.304   8.6086   31.422   10.523   70.373   9.0270   65.818   12.249 4.555283 15.21588 
1 1 1  -27   16   20 o   70.657   7.4289   36.341   6.5987   39.515   8.4282   31.314   10.607   75.664   8.2198   65.650   12.377 10.01456 14.85771 
1 1 1  -27   16   21 o   59.228   8.1223   24.269   6.3312   19.737   8.1992   30.963   9.9640   51.980   11.897   66.475   11.061 -14.49493 16.24453 
1 1 1  -27   16   22 o  104.487   6.4324   75.553   9.0919   69.561   12.585   82.096   13.150  100.114   9.2760  108.860   8.9139 -8.745956 12.86475 
1 1 1  -27   16   23 o  120.630   5.6544  100.561   8.8114  100.945   10.942   99.852   14.862  121.291   6.6569  119.969   9.1419 1.322060 11.30877 
1 1 1  -27   16   24 o  141.629   5.2805  132.420   9.6443  120.824   11.729  156.628   16.946  132.719   6.5214  150.539   8.3069 -17.81981 10.56097 
1 1 1  -27   16   25 o   69.016   7.2763   32.709   6.7058   30.125   8.6470   36.608   10.621   65.771   9.7018   72.260   10.847 -6.489441 14.55253 
1 1 1  -27   16   26 o  107.257   6.0553   82.063   8.4046   89.475   10.739   70.351   13.501  114.091   6.9462  100.423   9.9205 13.66779 12.11061 
1 1 1  -27   16   27 o  134.919   6.4934  124.930   11.872  124.930   11.872   0.0000   0.0000  134.919   6.4934  ?   ?       ?      ? 
1 1 1  -27   16   28 o   93.028   7.5633   59.686   9.5347   59.686   9.5347   0.0000   0.0000   93.028   7.5633  ?   ?       ?      ? 
1 1 1  -27   16   29 o   68.063   7.5582   33.160   6.5960   33.874   8.4487   32.046   10.555   69.823   8.9291   66.303   12.197 3.520142 15.11642 
1 1 1  -27   16   30 o   70.751   7.4018   36.160   6.6316   38.010   8.4368   33.169   10.728   74.050   8.4076   67.453   12.184 6.596428 14.80357 
1 1 1  -27   16   31 o   45.796   9.4534   15.234   6.1163   14.630   7.8026   16.198   9.8506   44.629   12.437   46.963   14.240 -2.334187 18.90689 
1 1 1  -27   16   32 o   70.860   7.0135   33.841   6.5875   29.018   8.3230   41.929   10.778   64.446   9.5301   77.274   10.293 -12.82779 14.02710 
1 1 1  -27   16   33 o   67.814   7.7062   33.216   6.6654   34.269   8.5047   31.540   10.732   70.135   8.9482   65.492   12.549 4.643471 15.41233 
1 1 1  -27   16   34 o   55.882   8.3358   21.177   6.3303   11.367   8.1456   36.137   10.059   40.112   13.062   71.651   10.360 -31.53890 16.67170 
1 1 1  -27   16   35 o  108.455   5.8656   81.372   8.2642   80.446   10.296   83.050   13.857  107.971   7.0366  108.938   9.3865 -0.9671860 11.73112 
1 1 1  -27   16   36 o   80.496   6.7513   44.548   7.2064   41.366   9.1571   49.726   11.680   77.006   8.7751   83.987   10.262 -6.981270 13.50260 
1 1 1  -27   16   37 o   47.137   10.551   16.892   7.6674   10.815   13.171   20.008   9.4301   42.681   16.322   51.592   13.377 -8.910767 21.10273 
1 1 1  -27   16   38 o   60.830   8.8610   26.929   7.1982   19.695   9.7822   35.472   10.630   51.064   13.806   70.596   11.112 -19.53242 17.72198 
1 1 1  -27   16   39 o   81.597   7.3752   47.585   8.0629   50.861   10.892   43.614   11.993   85.051   9.4499   78.142   11.326 6.909012 14.75030 
1 1 1  -27   16   40 o   50.661   9.8180   19.648   7.1193   24.500   9.7944   14.213   10.366   57.070   12.960   44.253   14.752 12.81709 19.63597 
1 1 1  -27   16   41 o   61.134   9.0520   26.812   7.3979   18.967   9.7200   37.613   11.405   49.942   13.869   72.326   11.637 -22.38338 18.10397 
1 1 1  -27   16   42 o   52.929   13.475   21.337   9.6903   21.337   9.6903   0.0000   0.0000   52.929   13.475  ?   ?       ?      ? 
1 1 1  -27   16   43 o   74.858   10.167   39.875   10.313   39.875   10.313   0.0000   0.0000   74.858   10.167  ?   ?       ?      ? 
1 1 1  -27   16   44 o   58.873   9.2944   25.792   7.2529   19.519   9.6496   33.940   10.996   50.435   13.744   67.310   12.516 -16.87457 18.58877 
1 1 1  -27   16   45 o   71.045   8.6488   38.526   7.8654   45.603   10.579   29.779   11.761   80.073   9.7496   62.017   14.288 18.05632 17.29769 
1 1 1  -27   16   46 o   93.884   6.7778   62.136   8.5079   59.385   11.065   66.114   13.307   91.669   8.9073   96.099   10.218 -4.430023 13.55554 
1 1 1  -27   16   47 o   57.454   8.8252   23.559   7.1227   11.007   9.3467   40.945   11.000   39.587   13.978   75.321   10.777 -35.73331 17.65046 
1 1 1  -27   16   48 o   47.479   9.2323   15.634   6.7939   5.5549   9.0107   28.912   10.342   33.424   13.290   61.535   12.819 -28.11175 18.46460 
1 1 1  -27   16   49 o   38.518   9.8542   9.9078   6.6548   7.3352   9.0818   12.891   9.7794   35.229   13.534   41.806   14.327 -6.577026 19.70845 
1 1 1  -27   16   50 o   75.000   9.8250   44.817   9.4314   34.755   14.487   52.218   12.425   65.229   16.405   84.771   10.816 -19.54182 19.65001 
1 1 1  -27   16   51 o   73.589   11.833   39.971   11.800   0.0000   0.0000   39.971   11.800  ?   ?    73.589   11.833      ?      ? 
1 1 1  -27   16   52 o   37.836   14.013   9.6484   9.5381   0.0000   0.0000   9.6484   9.5381  ?   ?    37.836   14.013      ?      ? 
1 1 1  -27   16   53 o   48.285   10.866   18.896   8.1922   13.943   12.717   22.410   10.711   43.675   16.180   52.895   14.507 -9.220139 21.73105 
1 1 1  -27   16   54 o   52.050   11.091   21.889   8.3586   23.801   13.133   20.587   10.837   53.558   16.482   50.541   14.845 3.016872 22.18167 
1 1 1  -27   16   55 o   55.244   10.363   26.174   8.5207   13.345   13.403   34.875   11.038   43.215   16.479   67.272   12.571 -24.05740 20.72663 
1 1 1  -27   16   56 o   37.929   10.560   8.8754   7.8956   7.1369   12.768   9.9520   10.047   37.668   15.510   38.190   14.335 -0.5218048 21.12034 
1 1 1  -27   16   57 o   30.789   13.861  -2.2276   12.155  -2.2276   12.155   0.0000   0.0000   30.789   13.861  ?   ?       ?      ? 
1 1 1  -27   16   58 o   46.080   11.062   17.291   8.4776   11.951   13.280   20.964   11.014   41.637   16.263   50.522   14.999 -8.884537 22.12379 
1 1 1  -27   16   59 o   50.050   11.109   21.063   8.6799   14.978   12.956   26.018   11.692   44.048   16.329   56.052   15.068 -12.00375 22.21831 
1 1 1  -27   16   60 o   63.195   10.432   34.398   9.3380   20.014   14.135   45.538   12.439   48.737   17.192   77.653   11.821 -28.91541 20.86352 
1 1 1  -27   16   61 o   48.285   11.323   18.351   8.9968   28.389   13.583   10.506   12.009   57.209   16.567   39.360   15.440 17.84959 22.64635 
1 1 1  -27   16   62 o   29.538   9.4491  -2.7798   8.1986  -6.7628   11.829   0.9021   11.373   27.676   12.898   31.401   13.812 -3.725332 18.89822 
1 1 1  -27   16   63 o   74.160   10.712   46.043   10.400   42.596   14.763   49.439   14.653   70.689   15.807   77.631   14.460 -6.941551 21.42378 
1 1 1  -27   16   64 o   53.701   16.758   25.823   13.523   0.0000   0.0000   25.823   13.523  ?   ?    53.701   16.758      ?      ? 
1 1 1  -27   16   65 o   46.326   16.464   18.703   12.987   0.0000   0.0000   18.703   12.987  ?   ?    46.326   16.464      ?      ? 
1 1 1  -27   16   66 o   37.044   15.351   8.3820   12.617   0.0000   0.0000   8.3820   12.617  ?   ?    37.044   15.351      ?      ? 
1 1 1  -27   16   67 o   48.080   16.806   21.312   13.487   0.0000   0.0000   21.312   13.487  ?   ?    48.080   16.806      ?      ? 
1 1 1  -27   16   68 o   41.635   16.129   14.649   12.980   0.0000   0.0000   14.649   12.980  ?   ?    41.635   16.129      ?      ? 
1 1 1  -27   17    1 o   67.117   7.8729   32.873   6.7564   31.027   10.801   34.060   8.6600   64.547   12.800   69.687   9.1703 -5.139427 15.74587 
1 1 1  -27   17    2 o  116.739   6.3706   98.680   9.6418   81.351   15.172  110.418   12.487  107.196   10.445  126.282   7.2971 -19.08633 12.74119 
1 1 1  -27   17    3 o  128.416   5.5890  111.619   9.4758  102.352   11.922  127.514   15.614  121.623   7.2337  135.209   8.5218 -13.58577 11.17802 
1 1 1  -27   17    4 o   60.085   8.2482   24.865   6.4989   15.937   8.3467   38.611   10.357   46.246   12.855   73.925   10.338 -27.67884 16.49632 
1 1 1  -27   17    5 o   54.305   10.306   22.813   7.7641   18.984   12.177   25.437   10.079   50.301   15.931   58.309   13.077 -8.007507 20.61138 
1 1 1  -27   17    6 o   68.497   7.6771   32.518   6.8243   25.019   8.8423   43.564   10.732   58.354   11.590   78.639   10.070 -20.28532 15.35422 
1 1 1  -27   17    7 o   87.222   6.3921   54.633   6.9991   57.459   8.5774   49.002   12.108   91.241   6.9372   83.203   10.738 8.037971 12.78420 
1 1 1  -27   17    8 o   89.145   5.9821   52.782   6.8947   47.411   8.3963   63.901   12.081   82.763   7.4863   95.527   9.3325 -12.76415 11.96417 
1 1 1  -27   17    9 o  131.531   5.9982  122.287   10.484  132.958   13.956  108.464   15.883  138.629   7.4287  124.432   9.4195 14.19672 11.99635 
1 1 1  -27   17   10 o   84.009   7.4128   48.817   8.4391   48.817   8.4391   0.0000   0.0000   84.009   7.4128  ?   ?       ?      ? 
1 1 1  -27   17   11 o   75.697   7.7926   39.716   7.9936   39.716   7.9936   0.0000   0.0000   75.697   7.7926  ?   ?       ?      ? 
1 1 1  -27   17   12 o   36.688   8.7471   9.1460   5.4471   12.747   6.9765   3.5236   8.7179   41.687   11.811   31.689   12.905 9.997509 17.49423 
1 1 1  -27   17   13 f   73.673   6.6741   37.531   6.4278   36.232   8.0332   39.843   10.717   72.215   8.2088   75.132   10.526 -2.916931 13.34822 
1 1 1  -27   17   14 o   68.468   7.1877   32.677   6.4443   31.762   8.0868   34.269   10.667   67.479   8.8435   69.457   11.333 -1.977913 14.37536 
1 1 1  -27   17   15 o   47.411   8.7857   17.404   5.8335   21.105   7.4681   11.611   9.3427   53.836   10.614   40.987   14.003 12.84871 17.57137 
1 1 1  -27   17   16 o   86.828   6.2224   51.450   6.9938   48.903   8.6032   56.412   12.010   84.054   7.5529   89.603   9.8907 -5.548439 12.44477 
1 1 1  -27   17   17 o  102.239   5.7549   70.638   7.6522   65.969   9.4372   79.600   13.075   97.734   7.1255  106.745   9.0390 -9.010910 11.50982 
1 1 1  -27   17   18 o  120.644   5.3962   96.539   8.4018   87.729   10.223  114.872   14.747  112.829   6.6863  128.458   8.4717 -15.62875 10.79239 
1 1 1  -27   17   19 o   99.524   7.8981   69.162   10.315   75.056   17.106   65.795   12.930  102.298   12.340   96.750   9.8617 5.547798 15.79615 
1 1 1  -27   17   20 o   88.670   8.4515   56.939   9.6917   53.508   15.992   58.930   12.184   85.776   13.758   91.564   9.8193 -5.788483 16.90302 
1 1 1  -27   17   21 o   77.272   7.1931   41.269   7.4410   33.678   9.8368   51.424   11.377   69.024   10.517   85.521   9.8167 -16.49665 14.38628 
1 1 1  -27   17   22 o   63.340   8.6140   30.111   7.1270   37.439   9.7942   21.863   10.390   72.932   9.9100   53.749   14.092 19.18230 17.22792 
1 1 1  -27   17   23 o   67.637   8.2793   33.866   7.2514   39.568   9.8979   27.261   10.654   75.008   9.7375   60.266   13.393 14.74225 16.55869 
1 1 1  -27   17   24 o  132.525   5.9977  122.991   10.583  125.491   13.833  119.464   16.432  134.531   7.5879  130.519   9.2906 4.011383 11.99543 
1 1 1  -27   17   25 o  112.748   7.9844   88.392   12.199   88.392   12.199   0.0000   0.0000  112.748   7.9844  ?   ?       ?      ? 
1 1 1  -27   17   26 o   67.607   10.371   32.361   9.5012   32.361   9.5012   0.0000   0.0000   67.607   10.371  ?   ?       ?      ? 
1 1 1  -27   17   27 o   55.509   9.1727   22.863   6.7603   19.819   9.0443   26.716   10.177   51.316   12.993   59.701   12.951 -8.384327 18.34540 
1 1 1  -27   17   28 o   90.425   7.0342   59.373   8.3490   68.022   11.130   48.242   12.626   98.728   8.3189   82.123   11.345 16.60481 14.06834 
1 1 1  -27   17   29 o   78.865   8.0502   43.151   7.8424   24.968   10.113   70.585   12.422   57.497   13.251  100.232   9.1451 -42.73547 16.10040 
1 1 1  -27   17   30 o   46.091   9.7287   16.013   6.6786   19.515   9.1456   12.011   9.7758   50.782   13.176   41.401   14.317 9.380962 19.45733 
1 1 1  -27   17   31 o   67.399   8.5627   34.584   7.3928   41.141   9.8697   26.201   11.159   76.340   9.5404   58.458   14.222 17.88176 17.12533 
1 1 1  -27   17   32 o   64.506   8.6430   30.040   7.3356   22.720   9.7479   39.599   11.139   54.674   13.287   74.337   11.057 -19.66357 17.28608 
1 1 1  -27   17   33 o   84.563   7.3455   48.690   8.1109   33.693   10.431   71.620   12.899   68.462   11.244  100.664   9.4556 -32.20264 14.69101 
1 1 1  -27   17   34 o   42.058   9.9368   12.876   6.6762   14.139   9.1035   11.406   9.8203   43.558   13.773   40.559   14.327 2.998596 19.87368 
1 1 1  -27   17   35 o   73.531   9.7516   40.352   9.2722   42.364   14.945   39.092   11.823   73.690   15.459   73.372   11.891 0.3177643 19.50315 
1 1 1  -27   17   36 o   91.947   6.9258   59.495   8.5410   55.839   11.176   64.628   13.243   88.809   9.2862   95.085   10.278 -6.275421 13.85166 
1 1 1  -27   17   37 o  105.912   6.5226   76.875   9.1750   67.023   11.644   93.006   14.901   97.454   8.8172  114.370   9.6142 -16.91570 13.04514 
1 1 1  -27   17   38 o   72.598   8.6162   40.411   7.9505   46.789   10.526   31.939   12.132   81.083   9.5796   64.113   14.324 16.97008 17.23239 
1 1 1  -27   17   39 o  121.157   6.2422  100.646   10.061   87.792   12.820  121.258   16.235  111.593   8.4776  130.721   9.1646 -19.12772 12.48436 
1 1 1  -27   17   40 o   90.955   9.2366   58.818   11.385   58.818   11.385   0.0000   0.0000   90.955   9.2366  ?   ?       ?      ? 
1 1 1  -27   17   41 o   84.698   9.4471   51.180   10.843   51.180   10.843   0.0000   0.0000   84.698   9.4471  ?   ?       ?      ? 
1 1 1  -27   17   42 o   90.328   9.2698   63.874   10.486   47.596   15.785   76.732   14.029   77.347   15.598  103.309   10.021 -25.96186 18.53968 
1 1 1  -27   17   43 o  103.952   7.9508   78.604   11.143   82.810   16.770   75.279   14.911  106.145   11.659  101.760   10.813 4.384521 15.90154 
1 1 1  -27   17   44 o   92.051   8.4594   62.443   10.433   64.149   16.057   61.196   13.724   92.579   12.799   91.524   11.065 1.054749 16.91883 
1 1 1  -27   17   45 o   88.767   9.1378   60.550   10.373   54.895   16.225   64.460   13.490   83.381   14.907   94.154   10.573 -10.77306 18.27551 
1 1 1  -27   17   46 o   69.742   10.303   39.575   9.3662   31.915   14.818   44.673   12.087   61.638   17.126   77.846   11.458 -16.20889 20.60524 
1 1 1  -27   17   47 o   60.107   10.869   29.536   8.8075   28.420   13.839   30.296   11.418   58.318   16.674   61.896   13.947 -3.578175 21.73838 
1 1 1  -27   17   48 o   43.913   10.932   13.032   8.2212   22.428   13.067   6.8758   10.577   52.061   16.505   35.765   14.339 16.29530 21.86387 
1 1 1  -27   17   49 o   37.856   14.384   9.4749   10.188   0.0000   0.0000   9.4749   10.188  ?   ?    37.856   14.384      ?      ? 
1 1 1  -27   17   50 o   25.500   11.778  -5.4472   9.5311   0.0000   0.0000  -5.4472   9.5311  ?   ?    25.500   11.778      ?      ? 
1 1 1  -27   17   51 o   33.635   9.9410   4.4287   7.5540   2.6957   11.651   5.6855   9.9219   33.334   14.324   33.936   13.788 -0.6026993 19.88203 
1 1 1  -27   17   52 o   47.533   9.1644   17.070   8.0525  -5.2376   12.401   33.332   10.588   29.430   13.536   65.635   12.358 -36.20472 18.32874 
1 1 1  -27   17   53 o   55.854   10.529   26.636   8.5421   16.763   12.932   34.277   11.377   45.768   16.412   65.940   13.193 -20.17245 21.05715 
1 1 1  -27   17   54 o   48.344   10.900   19.542   8.4793   12.042   12.900   25.248   11.252   41.348   16.062   55.340   14.740 -13.99196 21.80026 
1 1 1  -27   17   55 o   24.540   11.709 -11.0822   10.853 -11.0822   10.853   0.0000   0.0000   24.540   11.709  ?   ?       ?      ? 
1 1 1  -27   17   56 o   56.520   9.4248   22.046   8.8598   50.048   13.678   1.8039   11.629   80.699   12.507   32.341   14.102 48.35734 18.84962 
1 1 1  -27   17   57 f   33.801   10.230   3.6685   8.4284   0.0346   12.703   6.5260   11.265   32.252   14.370   35.351   14.564 -3.099491 20.45992 
1 1 1  -27   17   58 o   48.485   11.738   20.405   9.3141   18.821   13.615   21.797   12.770   46.941   16.839   50.030   16.358 -3.089531 23.47629 
1 1 1  -27   17   59 o   50.915   10.948   21.808   9.5751   6.0866   13.884   36.066   13.222   36.735   15.707   65.096   15.255 -28.36084 21.89616 
1 1 1  -27   17   60 o   53.351   11.410   25.049   9.6476   14.048   13.592   36.220   13.696   42.239   16.465   64.464   15.801 -22.22520 22.82053 
1 1 1  -27   17   61 f   57.685   11.829   30.047   10.004   38.724   14.695   22.553   13.656   65.676   16.525   49.694   16.931 15.98106 23.65860 
1 1 1  -27   17   62 o   37.469   15.368   9.2778   12.474   0.0000   0.0000   9.2778   12.474  ?   ?    37.469   15.368      ?      ? 
1 1 1  -27   17   63 f   53.928   17.264   27.872   14.270   0.0000   0.0000   27.872   14.270  ?   ?    53.928   17.264      ?      ? 
1 1 1  -27   17   64 o   44.856   16.587   18.523   13.353   0.0000   0.0000   18.523   13.353  ?   ?    44.856   16.587      ?      ? 
1 1 1  -27   17   65 o   35.375   15.052   7.3773   12.639   0.0000   0.0000   7.3773   12.639  ?   ?    35.375   15.052      ?      ? 
1 1 1  -27   17   66 o   39.445   15.736   13.192   12.671   0.0000   0.0000   13.192   12.671  ?   ?    39.445   15.736      ?      ? 
1 1 1  -27   18    1 o   79.170   18.165   51.789   19.075   0.0000   0.0000   51.789   19.075  ?   ?    79.170   18.165      ?      ? 
1 1 1  -27   18    3 o   95.375   7.9741   65.343   10.158   69.719   15.946   62.355   13.177   97.587   12.058   93.163   10.437 4.423637 15.94810 
1 1 1  -27   18    4 o   86.304   6.5936   49.557   7.4658   38.431   9.3095   69.607   12.497   73.576   9.3370   99.032   9.3124 -25.45533 13.18715 
1 1 1  -27   18    5 o   70.734   7.3621   34.588   6.9048   29.808   8.7297   42.576   11.285   64.608   9.9709   76.860   10.834 -12.25289 14.72418 
1 1 1  -27   18    6 o   76.089   7.7111   43.415   7.3173   47.063   9.2809   37.422   11.896   81.815   8.3709   70.363   12.953 11.45221 15.42224 
1 1 1  -27   18    7 o   67.438   7.9782   32.709   6.9313   30.783   8.7561   35.941   11.343   65.731   9.8301   69.145   12.569 -3.414536 15.95646 
1 1 1  -27   18    8 o   50.136   11.962   18.976   8.0138   18.976   8.0138   0.0000   0.0000   50.136   11.962  ?   ?       ?      ? 
1 1 1  -27   18    9 o   43.001   9.5346   13.550   6.0559   12.345   7.7103   15.489   9.7841   40.775   12.642   45.226   14.276 -4.451065 19.06930 
1 1 1  -27   18   10 o   44.276   9.3118   14.964   6.0554   16.960   8.0503   12.364   9.1896   47.292   12.407   41.259   13.889 6.032146 18.62367 
1 1 1  -27   18   11 o   59.286   8.3243   24.447   6.5855   12.604   8.4702   42.547   10.471   41.323   13.309   77.249   10.003 -35.92560 16.64868 
1 1 1  -27   18   12 o   40.834   9.6131   12.107   6.1814   12.158   8.1135   12.037   9.5430   40.635   13.019   41.033   14.148 -0.3983154 19.22620 
1 1 1  -27   18   13 o   27.369   8.4191  -0.3715   5.7793  -1.2788   7.6489   0.8355   8.8224   25.610   11.293   29.128   12.489 -3.518433 16.83825 
1 1 1  -27   18   14 o   45.843   9.2514   13.885   6.5214   5.4997   8.4297   26.384   10.292   32.905   12.927   58.782   13.238 -25.87736 18.50289 
1 1 1  -27   18   15 o   59.010   9.2163   25.499   7.0984   20.413   9.1200   33.314   11.306   51.691   13.025   66.329   13.043 -14.63734 18.43270 
1 1 1  -27   18   16 o   65.745   8.4929   30.247   7.2101   17.213   9.2489   50.437   11.512   47.426   13.653   84.064   10.105 -36.63771 16.98572 
1 1 1  -27   18   17 o   52.346   11.166   21.782   8.5934   18.643   13.688   23.825   11.040   49.399   16.949   55.294   14.540 -5.895229 22.33142 
1 1 1  -27   18   18 o   31.694   8.8862   3.3973   6.1696   9.2989   8.2900  -3.9294   9.2367   37.046   13.155   26.343   11.950 10.70288 17.77238 
1 1 1  -27   18   19 o   54.950   9.3728   22.410   6.9227   16.910   9.0856   30.023   10.689   47.015   13.531   62.886   12.974 -15.87075 18.74559 
1 1 1  -27   18   20 o   72.922   7.6655   37.619   7.4937   33.862   9.7633   43.006   11.691   68.707   10.486   77.137   11.184 -8.429909 15.33103 
1 1 1  -27   18   21 o   67.603   8.2457   33.139   7.3530   30.158   9.6560   37.254   11.344   63.642   11.624   71.564   11.698 -7.921093 16.49142 
1 1 1  -27   18   22 o   60.571   8.8891   27.269   7.0030   23.802   9.1916   32.066   10.812   56.026   12.431   65.115   12.709 -9.088551 17.77819 
1 1 1  -27   18   23 o   92.977   8.8147   61.067   11.106   61.067   11.106   0.0000   0.0000   92.977   8.8147  ?   ?       ?      ? 
1 1 1  -27   18   24 o   76.996   7.5626   41.611   7.7863   35.644   10.081   50.432   12.258   70.386   10.569   83.606   10.820 -13.22007 15.12510 
1 1 1  -27   18   25 o   62.000   9.0173   29.334   7.3703   32.129   9.8042   25.700   11.176   66.699   10.847   57.301   14.408 9.397606 18.03452 
1 1 1  -27   18   26 o  108.078   6.4747   83.213   9.3005   84.632   12.111   81.174   14.520  109.716   8.1458  106.440   10.066 3.276588 12.94930 
1 1 1  -27   18   27 o   97.349   6.8401   67.341   8.9331   65.425   11.764   69.951   13.729   96.036   9.0394   98.662   10.268 -2.626106 13.68023 
1 1 1  -27   18   28 o   82.972   7.2042   48.198   7.9911   41.607   10.330   58.022   12.611   76.173   10.007   89.772   10.367 -13.59853 14.40841 
1 1 1  -27   18   29 o   47.962   10.779   17.600   7.8351   21.078   11.993   15.010   10.349   51.457   15.736   44.467   14.735 6.990170 21.55834 
1 1 1  -27   18   30 o   65.211   9.6843   31.552   8.4547   44.605   13.044   22.097   11.102   77.639   12.398   52.784   14.880 24.85443 19.36869 
1 1 1  -27   18   31 o   59.837   9.8701   29.122   8.3986   15.780   12.576   39.862   11.284   45.775   16.209   73.900   11.267 -28.12537 19.74025 
1 1 1  -27   18   32 o   71.213   13.558   39.138   12.606   0.0000   0.0000   39.138   12.606  ?   ?    71.213   13.558      ?      ? 
1 1 1  -27   18   33 o   56.286   14.419   25.115   11.047   0.0000   0.0000   25.115   11.047  ?   ?    56.286   14.419      ?      ? 
1 1 1  -27   18   34 o   72.739   9.5241   41.488   8.9940   32.059   13.201   49.657   12.287   62.992   15.556   82.487   10.992 -19.49526 19.04814 
1 1 1  -27   18   35 o   45.263   10.495   15.877   7.7521   9.8251   11.611   20.745   10.413   39.429   15.260   51.097   14.413 -11.66786 20.99091 
1 1 1  -27   18   36 o   47.409   10.758   17.791   7.7961   17.460   11.909   18.039   10.313   47.078   15.811   47.741   14.592 -0.6625671 21.51560 
1 1 1  -27   18   37 o   42.232   9.7844   11.963   7.8137  -3.0223   11.911   23.284   10.353   30.293   13.671   54.171   14.001 -23.87785 19.56885 
1 1 1  -27   18   38 o   36.352   14.763   6.6696   11.370   6.6696   11.370   0.0000   0.0000   36.352   14.763  ?   ?       ?      ? 
1 1 1  -27   18   39 o   36.913   10.421   7.3391   7.8091   9.9788   11.950   5.3717   10.317   39.585   15.437   34.241   14.002 5.344315 20.84122 
1 1 1  -27   18   40 o   27.108   8.7421  -5.5533   7.1435   0.6916   10.846 -10.3378   9.4935   31.190   13.609   23.025   10.977 8.165159 17.48428 
1 1 1  -27   18   41 o   45.536   10.816   15.361   8.0162   22.840   12.331   9.8870   10.550   52.577   15.930   38.494   14.635 14.08266 21.63198 
1 1 1  -27   18   42 o   58.207   9.9924   28.003   8.4909   14.992   12.616   38.776   11.480   44.320   16.166   72.095   11.750 -27.77534 19.98483 
1 1 1  -27   18   43 o   44.926   10.781   13.778   8.2977   25.612   12.869   5.3567   10.856   55.284   16.160   34.569   14.275 20.71471 21.56202 
1 1 1  -27   18   44 o   77.533   9.7264   45.923   9.8770   58.739   15.202   36.561   12.993   87.829   12.772   67.238   14.672 20.59120 19.45277 
1 1 1  -27   18   45 o  120.956   7.6336  107.953   12.471  109.396   18.431  106.734   16.936  121.308   11.212  120.603   10.363 0.7047043 15.26715 
1 1 1  -27   18   46 o   84.516   9.9186   59.018   10.430   36.381   15.171   79.309   14.363   65.015   17.020  104.017   10.190 -39.00257 19.83713 
1 1 1  -27   18   47 o   80.390   12.403   49.209   13.512   0.0000   0.0000   49.209   13.512  ?   ?    80.390   12.403      ?      ? 
1 1 1  -27   18   48 o   53.799   11.269   24.783   8.8314   22.254   13.597   26.628   11.615   50.950   16.890   56.648   14.923 -5.698410 22.53794 
1 1 1  -27   18   49 o   42.615   11.139   13.919   8.4466   15.015   12.937   13.105   11.152   43.791   16.300   41.438   15.186 2.353531 22.27761 
1 1 1  -27   18   50 o   33.013   9.9921   3.1931   7.8697   5.3219   12.141   1.6508   10.335   35.234   14.861   30.792   13.361 4.441673 19.98415 
1 1 1  -27   18   51 o   40.266   10.353   11.535   8.0968   1.2339   12.394   19.205   10.694   32.628   14.383   47.905   14.895 -15.27720 20.70567 
1 1 1  -27   18   52 o   33.544   14.649   2.5661   12.589   2.5661   12.589   0.0000   0.0000   33.544   14.649  ?   ?       ?      ? 
1 1 1  -27   18   53 o   50.660   17.291   23.081   14.243   23.081   14.243   0.0000   0.0000   50.660   17.291  ?   ?       ?      ? 
1 1 1  -27   18   54 o   45.919   10.680   17.828   8.6861   5.5701   13.372   26.775   11.424   35.864   15.377   55.973   14.826 -20.10919 21.36018 
1 1 1  -27   18   55 o   36.462   10.481   7.8200   8.4905   0.5934   13.174   12.954   11.104   32.514   14.550   40.410   15.089 -7.895576 20.96144 
1 1 1  -27   18   56 o   50.496   11.685   23.047   9.1572   25.818   13.879   20.911   12.186   52.658   17.044   48.334   15.988 4.323711 23.36923 
1 1 1  -27   18   57 o   54.543   11.170   27.765   9.8084   13.212   14.588   39.773   13.251   41.169   16.722   67.918   14.814 -26.74861 22.34004 
1 1 1  -27   18   58 o   51.618   11.242   24.969   9.7229   11.341   14.513   36.066   13.096   39.526   16.429   63.711   15.350 -24.18510 22.48429 
1 1 1  -27   18   59 o   41.461   11.417   14.631   9.2530   17.212   13.412   12.288   12.782   43.577   16.517   39.346   15.767 4.231110 22.83433 
1 1 1  -27   18   60 o   40.766   15.984   14.371   12.866   0.0000   0.0000   14.371   12.866  ?   ?    40.766   15.984      ?      ? 
1 1 1  -27   18   61 o   56.670   16.893   31.790   13.949   0.0000   0.0000   31.790   13.949  ?   ?    56.670   16.893      ?      ? 
1 1 1  -27   18   62 o   48.218   17.024   23.860   13.864   0.0000   0.0000   23.860   13.864  ?   ?    48.218   17.024      ?      ? 
1 1 1  -27   18   63 o   43.153   16.561   18.679   13.590   0.0000   0.0000   18.679   13.590  ?   ?    43.153   16.561      ?      ? 
1 1 1  -27   18   64 o   59.480   17.094   36.999   14.510   0.0000   0.0000   36.999   14.510  ?   ?    59.480   17.094      ?      ? 
1 1 1  -27   19    9 o   76.054   8.9657   44.053   8.9279   37.012   12.583   51.191   12.669   68.633   14.003   83.475   11.200 -14.84213 17.93141 
1 1 1  -27   19   10 o   48.140   10.151   17.709   7.5440   26.418   10.975   9.9087   10.387   57.675   14.149   38.605   14.558 19.07005 20.30136 
1 1 1  -27   19   11 o   47.503   10.578   17.906   7.6008   17.826   10.935   17.980   10.572   47.402   15.106   47.604   14.811 -0.2019157 21.15592 
1 1 1  -27   19   12 o   82.585   8.6897   51.572   9.2698   39.723   12.930   64.104   13.297   71.266   13.887   93.905   10.449 -22.63860 17.37942 
1 1 1  -27   19   13 o   47.108   10.199   16.752   7.6138   25.681   11.022   8.6027   10.530   56.772   14.326   37.444   14.521 19.32730 20.39891 
1 1 1  -27   19   14 o   34.246   13.984   5.3277   10.271   0.0000   0.0000   5.3277   10.271  ?   ?    34.246   13.984      ?      ? 
1 1 1  -27   19   15 o   95.007   10.857   65.973   13.979   0.0000   0.0000   65.973   13.979  ?   ?    95.007   10.857      ?      ? 
1 1 1  -27   19   16 o   45.890   10.793   16.369   7.9076   19.249   11.313   13.617   11.057   49.016   15.333   42.764   15.192 6.251945 21.58511 
1 1 1  -27   19   17 o   42.559   10.591   13.443   7.5984   15.336   10.996   11.712   10.512   44.589   15.192   40.529   14.760 4.060104 21.18169 
1 1 1  -27   19   18 o   70.260   9.7312   39.592   9.0032   23.288   12.793   55.590   12.673   53.245   16.247   87.274   10.715 -34.02991 19.46241 
1 1 1  -27   19   19 o   81.469   9.1443   51.733   9.4565   36.778   13.555   65.911   13.199   67.608   15.169   95.330   10.217 -27.72237 18.28862 
1 1 1  -27   19   20 o   38.850   15.091   9.4945   11.387   9.4945   11.387   0.0000   0.0000   38.850   15.091  ?   ?       ?      ? 
1 1 1  -27   19   21 o   40.102   15.217   10.854   11.392   10.854   11.392   0.0000   0.0000   40.102   15.217  ?   ?       ?      ? 
1 1 1  -27   19   22 o   60.815   10.288   30.391   8.5291   21.994   12.614   37.463   11.577   51.794   16.189   69.836   12.701 -18.04110 20.57613 
1 1 1  -27   19   23 o   69.764   9.8575   37.877   8.9699   44.380   13.385   32.575   12.085   75.519   13.578   64.009   14.294 11.50974 19.71507 
1 1 1  -27   19   24 o   43.085   10.485   13.797   7.8534   6.7094   11.612   19.773   10.662   36.554   14.891   49.617   14.764 -13.06304 20.96934 
1 1 1  -27   19   25 o   51.862   10.374   20.445   8.1581   33.066   12.276   10.463   10.918   64.357   14.432   39.366   14.906 24.99020 20.74810 
1 1 1  -27   19   26 o   80.008   9.2928   49.964   9.5941   40.789   14.072   57.935   13.115   71.185   15.057   88.831   10.895 -17.64549 18.58555 
1 1 1  -27   19   27 o   55.520   10.895   25.413   8.5016   23.355   12.731   27.070   11.421   53.083   16.210   57.957   14.561 -4.874516 21.78949 
1 1 1  -27   19   28 o   35.692   10.053   6.2467   7.7071  -0.8819   11.677   11.750   10.259   31.131   13.829   40.253   14.594 -9.121735 20.10522 
1 1 1  -27   19   29 o   29.500   8.9969  -1.3697   7.1970 -12.5897   11.146   6.6533   9.4252   24.535   11.750   34.465   13.627 -9.929907 17.99377 
1 1 1  -27   19   30 f   50.879   14.664   20.975   10.664   0.0000   0.0000   20.975   10.664  ?   ?    50.879   14.664      ?      ? 
1 1 1  -27   19   31 o   34.098   9.9679   4.6622   7.4629   7.7578   11.374   2.3217   9.8896   37.049   14.864   31.146   13.285 5.903273 19.93584 
1 1 1  -27   19   32 o   44.539   10.720   15.695   7.7681   13.871   11.808   17.087   10.314   42.895   15.640   46.183   14.666 -3.288040 21.44098 
1 1 1  -27   19   33 o   34.137   9.9357   5.3199   7.3645   5.3713   11.133   5.2798   9.8201   34.805   14.421   33.469   13.671 1.336155 19.87132 
1 1 1  -27   19   34 o   40.410   10.316   11.462   7.6994   4.3696   11.325   17.557   10.499   34.178   14.381   46.642   14.796 -12.46357 20.63272 
1 1 1  -27   19   35 o   67.195   14.779   36.697   13.092   36.697   13.092   0.0000   0.0000   67.195   14.779  ?   ?       ?      ? 
1 1 1  -27   19   36 o   47.770   15.824   18.760   11.936   18.760   11.936   0.0000   0.0000   47.770   15.824  ?   ?       ?      ? 
1 1 1  -27   19   37 o   30.165   9.0687  -0.3620   7.1680 -11.0772   10.773   8.1489   9.6015   24.491   11.680   35.840   13.876 -11.34969 18.13733 
1 1 1  -27   19   38 o   36.432   9.8166   6.0400   7.7594  -6.2208   11.412   16.581   10.582   27.579   12.791   45.284   14.895 -17.70440 19.63318 
1 1 1  -27   19   39 o   67.357   10.561   37.289   9.3419   37.461   14.037   37.153   12.516   66.821   15.758   67.893   14.066 -1.071991 21.12290 
1 1 1  -27   19   40 o   82.516   9.4465   54.895   9.9025   41.752   14.633   65.997   13.450   70.616   15.698   94.415   10.512 -23.79920 18.89307 
1 1 1  -27   19   41 o   38.517   10.060   9.1134   7.8391  -1.8283   11.643   18.187   10.602   30.109   13.559   46.926   14.866 -16.81688 20.12087 
1 1 1  -27   19   42 o   44.340   10.863   15.957   8.1812   11.229   12.084   19.958   11.117   39.912   15.534   48.768   15.190 -8.855873 21.72683 
1 1 1  -27   19   43 o   31.253   9.5169   0.1675   7.5785   8.4015   11.310  -6.5412   10.209   36.912   14.818   25.595   11.947 11.31642 19.03385 
1 1 1  -27   19   44 o   25.187   11.758  -6.3858   9.8968   0.0000   0.0000  -6.3858   9.8968  ?   ?    25.187   11.758      ?      ? 
1 1 1  -27   19   45 o   64.225   14.752   34.584   12.569   0.0000   0.0000   34.584   12.569  ?   ?    64.225   14.752      ?      ? 
1 1 1  -27   19   46 o   42.897   10.800   12.327   8.6305   25.823   13.148   2.1112   11.440   53.817   16.480   31.977   13.964 21.83962 21.60076 
1 1 1  -27   19   47 o   60.193   11.205   32.506   9.4223   26.283   14.252   37.338   12.558   53.480   17.267   66.905   14.286 -13.42550 22.41077 
1 1 1  -27   19   48 o   39.432   11.102   10.598   8.8714   15.864   13.683   6.7788   11.653   43.583   16.643   35.281   14.697 8.302467 22.20384 
1 1 1  -27   19   49 o   41.890   11.544   13.892   9.3316   16.719   14.502   11.893   12.191   44.186   17.068   39.595   15.548 4.591118 23.08792 
1 1 1  -27   19   50 o   48.021   17.541   21.568   14.862   21.568   14.862   0.0000   0.0000   48.021   17.541  ?   ?       ?      ? 
1 1 1  -27   19   51 o   54.258   11.428   24.951   9.9311   44.262   15.362   11.087   13.017   69.654   16.524   38.861   15.791 30.79253 22.85657 
1 1 1  -27   19   52 f   51.805   11.202   25.395   9.9516   9.4842   15.036   37.799   13.275   38.393   16.379   65.217   15.287 -26.82390 22.40478 
1 1 1  -27   19   53 o   38.794   10.863   11.011   9.2646  -0.0320   14.443   18.730   12.076   32.481   14.814   45.106   15.893 -12.62421 21.72667 
1 1 1  -27   19   54 f   56.367   11.005   31.199   10.092   13.051   15.115   45.801   13.557   40.168   16.737   72.567   14.295 -32.39972 22.01040 
1 1 1  -27   19   55 o   30.627   9.6010  -1.7685   8.9071 -18.4133   13.801   10.114   11.661   24.640   12.088   36.614   14.920 -11.97435 19.20205 
1 1 1  -27   19   56 o   44.504   11.939   19.700   9.8520   19.722   15.510   19.685   12.756   44.183   17.478   44.824   16.269 -0.6404190 23.87808 
1 1 1  -27   19   57 o   43.414   15.933   18.451   12.283   0.0000   0.0000   18.451   12.283  ?   ?    43.414   15.933      ?      ? 
1 1 1  -27   19   58 o   35.754   15.051   9.7635   12.416   0.0000   0.0000   9.7635   12.416  ?   ?    35.754   15.051      ?      ? 
1 1 1  -27   19   59 o   49.001   16.516   25.473   12.994   0.0000   0.0000   25.473   12.994  ?   ?    49.001   16.516      ?      ? 
1 1 1  -27   20   16 o   38.176   14.622   9.8805   10.582   9.8805   10.582   0.0000   0.0000   38.176   14.622  ?   ?       ?      ? 
1 1 1  -27   20   17 o   57.372   15.498   27.549   12.333   27.549   12.333   0.0000   0.0000   57.372   15.498  ?   ?       ?      ? 
1 1 1  -27   20   18 o   53.781   15.596   24.272   12.030   24.272   12.030   0.0000   0.0000   53.781   15.596  ?   ?       ?      ? 
1 1 1  -27   20   19 o   52.081   10.653   22.810   8.1715   17.028   12.109   27.645   11.073   45.818   15.929   58.343   14.150 -12.52448 21.30644 
1 1 1  -27   20   20 f   35.790   9.9235   7.1985   7.4122   0.3786   11.266   12.404   9.8426   31.157   13.724   40.423   14.337 -9.266144 19.84694 
1 1 1  -27   20   21 o   51.461   10.528   22.403   8.2304   13.690   12.365   29.335   11.029   42.562   15.917   60.360   13.785 -17.79828 21.05695 
1 1 1  -27   20   22 o   74.304   9.2964   43.329   9.0278   41.370   13.653   44.852   12.034   71.320   14.617   77.288   11.490 -5.967567 18.59275 
1 1 1  -27   20   23 o   37.039   10.258   8.7504   7.3960   8.8444   11.639   8.6867   9.5783   37.810   15.082   36.268   13.907 1.542152 20.51547 
1 1 1  -27   20   24 o   35.996   10.006   7.1490   7.6542  -1.0206   11.814   13.059   10.049   30.860   13.796   41.133   14.497 -10.27343 20.01196 
1 1 1  -27   20   25 o   58.736   10.842   28.549   8.7095   33.524   13.123   24.632   11.644   63.263   15.442   54.208   15.224 9.054539 21.68473 
1 1 1  -27   20   26 o   45.488   10.307   16.501   8.2683   3.4736   12.679   26.139   10.906   34.526   14.890   56.449   14.254 -21.92260 20.61335 
1 1 1  -27   20   27 o   38.380   14.248   10.663   9.8715   0.0000   0.0000   10.663   9.8715  ?   ?    38.380   14.248      ?      ? 
1 1 1  -27   20   28 o   55.553   9.6675   26.343   8.6566   6.8630   13.147   41.252   11.502   37.168   15.558   73.938   11.479 -36.76968 19.33492 
1 1 1  -27   20   29 o   56.651   10.495   27.967   8.6843   16.511   13.095   36.961   11.603   45.048   16.463   68.254   13.020 -23.20554 20.98953 
1 1 1  -27   20   30 o   45.311   10.964   15.762   8.1776   23.794   12.837   10.276   10.609   52.382   16.324   38.240   14.642 14.14259 21.92896 
1 1 1  -27   20   31 o   35.053   10.105   6.6780   7.6511   2.4547   12.319   9.3298   9.7620   33.323   14.523   36.783   14.055 -3.459972 20.21032 
1 1 1  -27   20   32 o   46.468   11.337   17.641   8.4800   21.622   13.730   15.186   10.783   49.695   16.976   43.242   15.031 6.452682 22.67398 
1 1 1  -27   20   33 o   52.374   17.136   24.504   14.012   24.504   14.012   0.0000   0.0000   52.374   17.136  ?   ?       ?      ? 
1 1 1  -27   20   34 o   30.065   9.5094  -0.5448   7.8322  -1.4453   12.400   0.0529   10.103   30.914   13.951   29.216   12.926 1.698620 19.01873 
1 1 1  -27   20   35 o   36.662   10.570   7.6709   8.0551   11.000   13.169   5.6805   10.182   39.829   15.989   33.496   13.828 6.332527 21.13902 
1 1 1  -27   20   36 o   47.247   11.417   19.193   8.5902   19.747   14.387   18.886   10.709   47.387   17.266   47.107   14.942 0.2794800 22.83380 
1 1 1  -27   20   37 o   34.650   10.204   3.8071   7.6495   13.767   13.347  -1.0644   9.3346   41.937   16.325   27.363   12.246 14.57322 20.40748 
1 1 1  -27   20   38 o   42.293   10.425   15.046   7.8929   6.0392   13.288   19.957   9.8112   35.984   15.376   48.601   14.082 -12.61646 20.84993 
1 1 1  -27   20   39 o   45.683   10.955   16.072   8.1411   27.300   13.386   9.4807   10.256   54.716   16.603   36.651   14.298 18.06498 21.91089 
1 1 1  -27   20   40 o   25.075   8.3938  -7.5054   7.2776 -10.2069   12.373  -6.0764   8.9987   26.382   12.564   23.769   11.134 2.613007 16.78762 
1 1 1  -27   20   41 o   32.970   10.078   4.0667   7.9669   3.6194   13.565   4.3022   9.8433   34.324   15.091   31.617   13.360 2.706591 20.15570 
1 1 1  -27   20   42 o   52.815   15.409   24.992   11.711   0.0000   0.0000   24.992   11.711  ?   ?    52.815   15.409      ?      ? 
1 1 1  -27   20   43 o   29.768   9.2414  -2.3101   8.1762 -19.3050   13.024   8.7454   10.504   23.878   11.720   35.659   14.292 -11.78100 18.48286 
1 1 1  -27   20   44 o   43.547   11.469   16.864   8.9369   17.561   14.299   16.417   11.448   44.005   16.962   43.089   15.443 0.9155617 22.93869 
1 1 1  -27   20   45 o   38.731   11.080   11.607   8.9001   10.895   14.482   12.039   11.282   38.820   16.294   38.642   15.018 0.1778145 22.15956 
1 1 1  -27   20   46 o   44.277   11.332   18.411   9.1722   11.486   14.536   22.991   11.823   39.007   16.346   49.546   15.699 -10.53859 22.66390 
1 1 1  -27   20   47 o   57.335   18.246   34.389   15.957   34.389   15.957   0.0000   0.0000   57.335   18.246  ?   ?       ?      ? 
1 1 1  -27   20   48 o   26.822   12.840  -9.7745   13.280  -9.7745   13.280   0.0000   0.0000   26.822   12.840  ?   ?       ?      ? 
1 1 1  -27   20   49 o   30.050   9.8136  -1.4329   9.2368  -2.6235   14.568  -0.6325   11.945   30.701   14.310   29.399   13.433 1.301348 19.62728 
1 1 1  -27   20   50 o   40.749   11.476   14.337   9.5346   23.051   14.896   8.2876   12.410   46.504   17.455   34.994   14.903 11.51028 22.95181 
1 1 1  -27   20   51 o   63.390   12.045   42.385   10.845   34.893   16.464   48.129   14.415   55.177   18.590   71.602   15.319 -16.42468 24.08922 
1 1 1  -27   20   52 o   55.079   11.838   33.500   10.433   22.360   15.971   41.794   13.780   44.606   17.707   65.552   15.717 -20.94529 23.67595 
1 1 1  -27   21   25 o   33.262   9.4442   2.8935   8.0047 -17.8352   13.365   14.487   9.9956   24.875   12.138   41.649   14.472 -16.77369 18.88843 
1 1 1  -27   21   26 o   48.234   10.359   21.099   8.3400   8.3212   13.260   29.462   10.727   37.180   15.598   59.288   13.636 -22.10808 20.71816 
1 1 1  -27   21   27 o   45.576   9.4256   16.857   8.2634  -5.4249   13.038   31.815   10.683   29.071   13.546   62.080   13.110 -33.00865 18.85118 
1 1 1  -27   21   28 o   33.592   9.8642   4.6476   8.1293  -7.4354   13.204   12.024   10.316   28.323   13.336   38.860   14.538 -10.53697 19.72833 
1 1 1  -27   21   29 o   39.267   10.848   12.056   8.5301   7.3180   13.678   15.071   10.912   36.527   15.603   42.006   15.074 -5.479862 21.69559 
1 1 1  -27   21   30 o   39.957   16.234   12.269   13.754   12.269   13.754   0.0000   0.0000   39.957   16.234  ?   ?       ?      ? 
1 1 1  -27   21   31 o   26.475   8.8284  -6.7110   7.8409  -5.5901   13.132  -7.3320   9.7746   28.883   13.504   24.067   11.375 4.816292 17.65672 
1 1 1  -27   21   32 o   36.771   9.0153   3.7278   8.1456 -27.0077   13.008   23.553   10.447   21.801   10.875   51.741   14.382 -29.93991 18.03068 
1 1 1  -27   21   33 o   39.280   10.789   8.8127   8.3792   23.709   14.138   0.7469   10.403   49.310   17.208   29.251   13.021 20.05819 21.57869 
1 1 1  -27   21   34 o   36.688   10.660   9.3675   8.6911   3.7934   14.180   12.721   10.999   34.223   15.220   39.153   14.929 -4.929935 21.31931 
1 1 1  -27   21   35 o   38.818   10.804   7.0290   8.6060   25.453   14.753  -2.4751   10.596   50.231   17.575   27.404   12.570 22.82755 21.60739 
1 1 1  -27   21   36 o   41.989   11.266   16.101   9.1037   10.421   14.938   19.456   11.482   38.293   16.331   45.686   15.525 -7.392853 22.53250 
1 1 1  -27   21   37 o   37.544   10.624   10.710   8.8588   0.0608   14.777   16.685   11.068   32.379   14.849   42.709   15.197 -10.32935 21.24738 
1 1 1  -27   21   38 o   40.742   11.400   13.862   8.9339   20.205   15.294   10.576   11.007   44.831   17.469   36.652   14.652 8.179249 22.79959 
1 1 1  -27   21   39 o   58.755   16.235   33.538   13.356   0.0000   0.0000   33.538   13.356  ?   ?    58.755   16.235      ?      ? 
1 1 1  -27   21   40 o   31.894   10.195   2.2105   9.0198   3.8541   15.277   1.3310   11.176   34.062   15.417   29.727   13.344 4.335054 20.39040 
1 1 1  -27   21   41 o   55.107   11.490   32.383   10.055   20.154   15.911   40.514   12.973   43.822   17.581   66.393   14.797 -22.57116 22.97910 
1 1 1  -27   21   42 o   50.215   11.312   20.766   9.5443   46.556   16.027   6.5926   11.881   67.114   17.457   33.315   14.391 33.79865 22.62376 
1 1 1  -27   21   43 f   39.697   10.661   14.315   9.1141   0.0996   14.745   23.104   11.594   31.403   14.555   47.992   15.582 -16.58933 21.32245 
1 1 1  -27   21   44 o   46.416   10.946   22.213   9.9070   3.5815   15.387   35.406   12.948   33.146   15.183   59.685   15.771 -26.53979 21.89192 
1 1 1  -26    0    1 o  461.190   8.6195  1444.18   53.828   0.0000   0.0000  1444.18   53.828  461.190   8.6195  461.190   8.6195 -0.000000 0.000000 
1 1 1  -26    0    2 o  598.085   10.385  2429.49   84.114   0.0000   0.0000  2429.49   84.114  598.085   10.385  598.085   10.385 -0.000000 0.000000 
1 1 1  -26    0    3 o  351.447   7.4097  838.634   35.254   0.0000   0.0000  838.634   35.254  351.447   7.4097  351.447   7.4097 -0.000000 0.000000 
1 1 1  -26    0    4 o  248.339   6.4936  418.961   21.819   0.0000   0.0000  418.961   21.819  248.339   6.4936  248.339   6.4936 -0.000000 0.000000 
1 1 1  -26    0    5 o  368.245   7.5874  920.668   37.826   0.0000   0.0000  920.668   37.826  368.245   7.5874  368.245   7.5874 -0.000000 0.000000 
1 1 1  -26    0    6 o  603.815   10.481  2476.07   85.706   0.0000   0.0000  2476.07   85.706  603.815   10.481  603.815   10.481 -0.000000 0.000000 
1 1 1  -26    0    7 o  164.934   6.4082  185.249   14.274   0.0000   0.0000  185.249   14.274  164.934   6.4082  164.934   6.4082 -0.000000 0.000000 
1 1 1  -26    0    8 o  626.018   10.822  2661.65   91.748   0.0000   0.0000  2661.65   91.748  626.018   10.822  626.018   10.822 -0.000000 0.000000 
1 1 1  -26    0   10 o  702.561   11.834  3358.96  112.482  3461.99  161.855  3262.72  156.430  712.982   16.773  692.140   16.700 -0.000000 0.000000 
1 1 1  -26    0   11 o  134.277   6.4279  123.703   11.561  117.041   15.948  131.081   16.781  130.415   9.1269  138.138   9.0538 -0.000000 0.000000 
1 1 1  -26    0   12 o  204.004   8.7729  283.813   24.151  283.813   24.151   0.0000   0.0000  204.004   8.7729  204.004   8.7729 -0.000000 0.000000 
1 1 1  -26    0   13 o  150.016   8.7955  154.194   17.740  154.194   17.740   0.0000   0.0000  150.016   8.7955  150.016   8.7955 -0.000000 0.000000 
1 1 1  -26    0   14 o  208.419   8.8555  296.196   24.909  296.196   24.909   0.0000   0.0000  208.419   8.8555  208.419   8.8555 -0.000000 0.000000 
1 1 1  -26    0   15 o  132.354   6.6798  121.201   11.773  132.113   16.429  109.683   16.879  138.736   8.8204  125.971   10.034 -0.000000 0.000000 
1 1 1  -26    0   16 o  723.150   12.148  3561.56  118.882  3518.54  166.746  3606.02  169.537  718.711   17.143  727.589   17.217 -0.000000 0.000000 
1 1 1  -26    0   17 o  631.958   10.895  2717.54   93.153  2780.83  133.464  2657.43  130.079  639.137   15.430  624.779   15.385 -0.000000 0.000000 
1 1 1  -26    0   18 o  639.513   10.996  2784.26   95.161  2766.98  134.028  2801.83  135.135  637.511   15.535  641.514   15.565 -0.000000 0.000000 
1 1 1  -26    0   19 o  176.997   6.4194  214.065   15.281  230.109   21.880  198.788   21.351  183.559   8.8430  170.434   9.3077 -0.000000 0.000000 
1 1 1  -26    0   20 o  631.164   10.894  2711.64   93.044  2670.02  130.405  2754.80  132.796  626.227   15.388  636.101   15.426 -0.000000 0.000000 
1 1 1  -26    0   21 o  401.825   8.0048  1098.23   43.506  1116.00   62.039  1081.03   61.027  405.030   11.323  398.620   11.318 -0.000000 0.000000 
1 1 1  -26    0   22 o  263.409   6.7178  472.529   23.908  469.238   33.835  475.810   33.788  262.484   9.5407  264.334   9.4600 -0.000000 0.000000 
1 1 1  -26    0   23 o  360.777   7.5887  885.281   37.020  905.281   52.977  866.195   51.752  364.767   10.738  356.786   10.726 -0.000000 0.000000 
1 1 1  -26    0   24 f  611.520   10.664  2545.16   88.227  2485.71  123.191  2607.75  126.415  604.183   15.067  618.858   15.094 -0.000000 0.000000 
1 1 1  -26    0   25 o  482.742   8.9988  1585.73   58.772  1562.81   82.688  1609.14   83.553  479.204   12.754  486.279   12.699 -0.000000 0.000000 
1 1 1  -26    0   26 o  377.446   7.7905  968.724   39.750  926.935   55.444  1012.92   57.021  369.041   11.109  385.850   10.925 -0.000000 0.000000 
1 1 1  -26    0   27 o  373.800   7.7569  949.595   39.188  986.562   56.722  915.835   54.205  380.763   11.014  366.838   10.926 -0.000000 0.000000 
1 1 1  -26    0   28 o  543.076   9.7859  2007.54   71.903  1966.35  100.792  2050.22  102.605  537.391   13.861  548.762   13.817 -0.000000 0.000000 
1 1 1  -26    0   29 o  134.627   7.1030  123.969   12.720  134.835   19.286  115.603   16.923  139.826   10.307  129.429   9.7766 -0.000000 0.000000 
1 1 1  -26    0   30 o   63.890   15.877   32.365   11.896   0.0000   0.0000   32.365   11.896   63.890   15.877   63.890   15.877 -0.000000 0.000000 
1 1 1  -26    0   31 o  453.870   12.244  1402.28   75.185   0.0000   0.0000  1402.28   75.185  453.870   12.244  453.870   12.244 -0.000000 0.000000 
1 1 1  -26    0   32 o   81.225   9.6092   49.192   9.3913   41.437   13.704   56.057   12.895   73.629   15.620   88.821   11.197 -0.000000 0.000000 
1 1 1  -26    0   33 o   88.690   8.6574   55.886   9.7863   62.246   14.713   50.840   13.106   93.432   12.195   83.949   12.291 -0.000000 0.000000 
1 1 1  -26    0   34 o  374.999   7.8355  957.366   39.734  961.605   56.728  953.284   55.671  375.803   11.161  374.195   11.000 -0.000000 0.000000 
1 1 1  -26    0   35 o  111.742   7.7086   87.813   11.284   80.723   16.597   93.906   15.387  107.114   11.799  116.370   9.9232 -0.000000 0.000000 
1 1 1  -26    0   36 o   81.840   10.272   51.492   9.6694   37.819   14.159   63.443   13.237   68.756   17.579   94.924   10.632 -0.000000 0.000000 
1 1 1  -26    0   37 o  232.473   9.7518  368.803   30.598  368.803   30.598   0.0000   0.0000  232.473   9.7518  232.473   9.7518 -0.000000 0.000000 
1 1 1  -26    0   38 o  286.849   10.205  560.827   39.555  560.827   39.555   0.0000   0.0000  286.849   10.205  286.849   10.205 -0.000000 0.000000 
1 1 1  -26    0   39 o  462.925   8.8768  1460.19   55.590  1449.79   78.886  1470.44   78.350  461.266   12.642  464.584   12.465 -0.000000 0.000000 
1 1 1  -26    0   40 o  246.503   6.8636  413.490   22.817  434.691   33.309  394.744   31.320  252.459   9.7694  240.546   9.6433 -0.000000 0.000000 
1 1 1  -26    0   41 o  489.133   9.1924  1630.63   60.828  1638.80   86.732  1622.73   85.333  490.323   13.074  487.942   12.926 -0.000000 0.000000 
1 1 1  -26    0   42 o  400.041   8.1722  1090.44   44.210  1062.71   62.316  1118.55   62.732  394.886   11.668  405.196   11.445 -0.000000 0.000000 
1 1 1  -26    0   43 o  158.408   7.0210  171.344   14.881  185.102   22.240  160.191   20.024  164.161   10.084  152.655   9.7716 -0.000000 0.000000 
1 1 1  -26    0   44 o  387.197   8.1036  1021.68   42.415  1027.23   61.008  1016.48   59.011  388.185   11.621  386.208   11.297 -0.000000 0.000000 
1 1 1  -26    0   45 o  153.510   7.2487  162.739   14.814  157.608   22.105  166.923   19.960  151.112   10.926  155.908   9.5289 -0.000000 0.000000 
1 1 1  -26    0   46 o  394.798   8.1729  1062.41   43.621  1069.40   62.726  1055.85   60.701  396.027   11.711  393.569   11.403 -0.000000 0.000000 
1 1 1  -26    0   47 o  277.693   7.1847  526.144   26.931  524.980   38.888  527.216   37.331  277.355   10.380  278.031   9.9369 -0.000000 0.000000 
1 1 1  -26    0   48 o   69.762   12.683   38.754   10.239   40.936   15.957   37.226   13.350   70.809   19.237   68.716   16.533 -0.000000 0.000000 
1 1 1  -26    0   49 o  295.349   10.122  594.945   40.402   0.0000   0.0000  594.945   40.402  295.349   10.122  295.349   10.122 -0.000000 0.000000 
1 1 1  -26    0   50 o  472.273   12.712  1522.13   81.225   0.0000   0.0000  1522.13   81.225  472.273   12.712  472.273   12.712 -0.000000 0.000000 
1 1 1  -26    0   51 o  447.334   8.8208  1365.06   53.347  1386.75   76.979  1345.03   73.998  450.718   12.626  443.949   12.321 -0.000000 0.000000 
1 1 1  -26    0   52 o   97.628   9.3454   67.487   11.632   75.789   17.854   61.363   15.333  102.948   13.430   92.307   12.999 -0.000000 0.000000 
1 1 1  -26    0   53 o  152.955   7.5219  163.769   15.162  138.943   22.154  185.644   20.796  141.432   11.745  164.478   9.4002 -0.000000 0.000000 
1 1 1  -26    0   54 o   94.205   10.173   63.523   11.828   69.540   19.062   59.757   15.083   97.400   15.655   91.009   12.997 -0.000000 0.000000 
1 1 1  -26    0   56 o  108.129   13.881   83.584   19.420   83.584   19.420   0.0000   0.0000  108.129   13.881  108.129   13.881 -0.000000 0.000000 
1 1 1  -26    0   57 o  304.790   7.6213  634.829   31.328  585.131   43.941  686.205   44.676  292.529   11.121  317.051   10.424 -0.000000 0.000000 
1 1 1  -26    0   58 o  145.079   8.3985  149.007   15.722  133.731   24.715  159.392   20.377  138.057   13.507  152.100   9.9848 -0.000000 0.000000 
1 1 1  -26    0   59 o  479.468   9.2959  1572.65   60.275  1563.26   86.258  1581.62   84.261  477.999   13.340  480.937   12.950 -0.000000 0.000000 
1 1 1  -26    0   60 o  309.872   7.6404  657.233   31.934  614.701   45.324  699.161   45.001  299.769   11.193  319.975   10.403 -0.000000 0.000000 
1 1 1  -26    0   61 o  168.909   7.5594  199.013   16.907  170.733   24.595  224.350   23.280  156.973   11.712  180.845   9.5605 -0.000000 0.000000 
1 1 1  -26    0   62 o   57.420   13.674   31.251   10.394   19.521   16.268   39.343   13.512   43.788   22.113   71.053   16.092 -0.000000 0.000000 
1 1 1  -26    0   63 f   91.537   10.344   61.351   11.549   61.919   18.271   60.974   14.904   91.023   16.393   92.050   12.622 -0.000000 0.000000 
1 1 1  -26    0   64 o  170.926   7.4118  202.118   16.868  194.451   25.286  208.266   22.643  167.748   11.239  174.104   9.6651 -0.000000 0.000000 
1 1 1  -26    0   65 o  129.687   8.2988  119.222   14.014  107.189   21.253  128.481   18.642  123.195   13.066  136.179   10.235 -0.000000 0.000000 
1 1 1  -26    0   66 o  174.677   9.8762  209.894   23.207   0.0000   0.0000  209.894   23.207  174.677   9.8762  174.677   9.8762 -0.000000 0.000000 
1 1 1  -26    0   67 o  298.011   10.339  608.008   41.641   0.0000   0.0000  608.008   41.641  298.011   10.339  298.011   10.339 -0.000000 0.000000 
1 1 1  -26    0   68 o   95.498   10.031   64.815   11.953   76.682   19.020   57.070   15.366  102.808   14.478   88.188   13.887 -0.000000 0.000000 
1 1 1  -26    0   69 o  159.939   7.6341  178.703   16.165  165.387   24.236  189.374   21.696  154.129   11.761  165.749   9.7363 -0.000000 0.000000 
1 1 1  -26    0   70 o  197.094   7.4160  268.157   19.507  264.814   29.476  270.762   26.019  195.757   11.195  198.432   9.7294 -0.000000 0.000000 
1 1 1  -26    0   71 o  151.451   7.9035  160.144   15.808  156.221   24.166  163.079   20.900  149.448   12.115  153.454   10.153 -0.000000 0.000000 
1 1 1  -26    0   72 o   27.178   17.757  -1.1886   16.078  -1.1886   16.078   0.0000   0.0000   27.178   17.757   27.178   17.757 -0.000000 0.000000 
1 1 1  -26    0   73 o  273.347   7.4918  512.959   27.554  532.470   41.062  496.978   37.162  277.935   10.941  268.759   10.237 -0.000000 0.000000 
1 1 1  -26    0   74 f  158.373   7.5653  172.898   15.911  185.533   24.577  163.783   20.876  163.160   11.238  153.586   10.131 -0.000000 0.000000 
1 1 1  -26    0   75 o  138.425   7.8562  132.857   14.355  143.725   22.348  125.223   18.729  143.023   11.711  133.828   10.475 -0.000000 0.000000 
1 1 1  -26    0   76 o   78.033   12.155   47.441   10.963   50.832   17.803   45.370   13.913   79.135   19.152   76.931   14.973 -0.000000 0.000000 
1 1 1  -26    0   77 o   34.353   13.325   11.952   9.1008   7.5651   15.059   14.476   11.423   31.568   19.105   37.137   18.580 -0.000000 0.000000 
1 1 1  -26    0   78 o   46.505   14.578   21.617   9.4068   24.927   15.661   19.749   11.766   48.820   22.038   44.190   19.088 -0.000000 0.000000 
1 1 1  -26    0   79 o   69.494   12.752   38.800   10.167   46.722   16.581   34.027   12.871   75.259   18.792   63.728   17.244 -0.000000 0.000000 
1 1 1  -26    0   80 o   63.301   16.859   33.468   12.496   0.0000   0.0000   33.468   12.496   63.301   16.859   63.301   16.859 -0.000000 0.000000 
1 1 1  -26    0   81 o   57.535   18.166   29.488   12.451   0.0000   0.0000   29.488   12.451   57.535   18.166   57.535   18.166 -0.000000 0.000000 
1 1 1  -26    0   82 o   94.227   12.092   64.999   14.743   0.0000   0.0000   64.999   14.743   94.227   12.092   94.227   12.092 -0.000000 0.000000 
1 1 1  -26    0   83 o  103.536   11.525   77.662   15.657   0.0000   0.0000   77.662   15.657  103.536   11.525  103.536   11.525 -0.000000 0.000000 
1 1 1  -26    0   84 o  170.706   9.7697  204.627   22.431   0.0000   0.0000  204.627   22.431  170.706   9.7697  170.706   9.7697 -0.000000 0.000000 
1 1 1  -26    1    1 o  457.728   6.0580  1422.57   37.576  1425.39   53.322  1419.79   52.961  458.175   8.5880  457.280   8.5466 0.8950806 12.11602 
1 1 1  -26    1    2 o  450.178   6.0053  1375.91   36.635  1379.50   51.991  1372.37   51.630  450.759   8.5114  449.597   8.4742 1.161957 12.01063 
1 1 1  -26    1    3 o  382.647   5.4599  993.591   28.308  972.439   39.815  1015.21   40.256  378.526   7.7620  386.768   7.6807 -8.242065 10.91977 
1 1 1  -26    1    4 o  754.915   17.788  3894.37  181.970   0.0000   0.0000  3894.37  181.970  ?   ?   754.915   17.788      ?      ? 
1 1 1  -26    1    5 o  308.363   7.0161  642.939   29.243  689.590   43.286  603.770   39.664  318.597   10.026  298.130   9.8175 20.46704 14.03219 
1 1 1  -26    1    6 o  333.512   7.2611  756.085   32.801  738.821   46.744  772.833   46.039  329.742   10.461  337.281   10.073 -7.539490 14.52213 
1 1 1  -26    1    7 o  639.786   11.036  2776.09   95.429  2566.24  129.570  3024.86  141.076  613.507   15.585  666.065   15.630 -52.55792 22.07213 
1 1 1  -26    1    8 o  751.354   10.834  3824.72  103.638  3780.80  126.178  3915.79  181.692  745.513   12.490  757.195   17.707 -11.68188 21.66860 
1 1 1  -26    1    9 o  190.759   5.4496  250.281   13.406  258.393   16.729  235.719   22.413  195.184   6.3247  186.333   8.8763 8.851257 10.89913 
1 1 1  -26    1   10 o  523.937   7.6677  1858.20   47.193  1850.94   54.478  1880.05   94.472  522.274   7.6973  525.600   13.264 -3.326416 15.33537 
1 1 1  -26    1   11 o  322.772   4.9952  706.294   21.841  729.990   31.347  683.938   30.448  328.030   7.0519  317.513   7.0765 10.51685 9.990318 
1 1 1  -26    1   12 o  602.678   7.4001  2466.19   60.418  2403.26   84.164  2533.09   86.785  594.755   10.442  610.601   10.488 -15.84607 14.80030 
1 1 1  -26    1   13 o  247.743   4.5547  416.187   15.289  424.726   21.821  407.952   21.428  250.239   6.4349  245.248   6.4476 4.991699 9.109350 
1 1 1  -26    1   14 o  602.860   7.3971  2468.13   60.417  2522.94   86.579  2416.11   84.349  609.377   10.484  596.343   10.438 13.03442 14.79415 
1 1 1  -26    1   15 o  324.994   5.0261  716.489   22.135  723.091   31.500  710.051   31.109  326.472   7.1201  323.517   7.0959 2.955719 10.05230 
1 1 1  -26    1   16 f  522.239   8.1828  1874.97   54.953  1922.79   68.229  1786.66   92.714  532.113   9.4620  512.364   13.353 19.74945 16.36569 
1 1 1  -26    1   17 o  193.601   5.4150  249.981   13.423  241.515   16.348  267.498   23.515  188.700   6.3929  198.502   8.7417 -9.802246 10.82990 
1 1 1  -26    1   18 o  747.219   10.835  3826.92  103.816  3872.72  128.062  3739.13  177.311  754.513   12.525  739.925   17.683 14.58795 21.66966 
1 1 1  -26    1   19 o  642.509   7.7939  2805.46   67.855  2771.38   95.270  2840.55   96.669  638.551   11.010  646.467   11.035 -7.915222 15.58772 
1 1 1  -26    1   20 f  340.942   5.1833  788.666   23.947  778.121   33.729  799.383   34.005  338.642   7.3499  343.241   7.3106 -4.598114 10.36664 
1 1 1  -26    1   21 o  302.341   4.9352  619.846   20.215  636.638   28.967  603.905   28.224  306.330   6.9780  298.351   6.9807 7.979156 9.870310 
1 1 1  -26    1   22 o  755.430   8.9104  3882.81   91.211  3924.50  129.883  3842.25  128.118  759.425   12.621  751.436   12.582 7.989441 17.82072 
1 1 1  -26    1   23 o  388.253   5.5611  1023.09   29.259  1019.03   41.318  1027.17   41.438  387.480   7.8688  389.025   7.8603 -1.545044 11.12215 
1 1 1  -26    1   24 o  445.069   6.0144  1344.75   36.273  1358.65   51.630  1331.20   50.970  447.339   8.5170  442.799   8.4943 4.540131 12.02878 
1 1 1  -26    1   25 o  467.459   6.2147  1483.75   39.366  1498.83   55.992  1469.01   55.358  469.806   8.7948  465.112   8.7829 4.694550 12.42936 
1 1 1  -26    1   26 o  317.208   5.0819  682.740   21.843  670.811   30.738  694.909   31.046  314.407   7.2145  320.009   7.1592 -5.601074 10.16385 
1 1 1  -26    1   27 o  289.960   5.9687  572.445   22.263  575.866   27.506  565.946   37.909  291.318   6.9676  288.602   9.6930 2.716675 11.93738 
1 1 1  -26    1   28 o  342.124   6.3252  772.055   27.485  732.325   33.094  860.391   49.346  328.477   7.4346  355.771   10.235 -27.29346 12.65048 
1 1 1  -26    1   29 o  385.053   5.5755  1006.48   29.092  993.993   40.918  1019.26   41.369  382.637   7.8912  387.470   7.8787 -4.832947 11.15103 
1 1 1  -26    1   30 o  398.862   5.6807  1079.30   30.692  1117.32   44.149  1043.74   42.697  405.655   8.0312  392.069   8.0361 13.58521 11.36136 
1 1 1  -26    1   31 f  529.344   8.3058  1899.81   56.026  1929.64   97.871  1885.27   68.330  532.013   13.575  526.675   9.5738 5.337341 16.61168 
1 1 1  -26    1   32 o  236.978   5.7841  386.258   17.577  366.015   29.785  397.074   21.772  232.060   9.4715  241.896   6.6418 -9.835617 11.56813 
1 1 1  -26    1   33 o  361.886   5.4208  889.186   26.583  880.363   37.491  898.108   37.699  360.079   7.6832  363.693   7.6491 -3.614288 10.84157 
1 1 1  -26    1   34 o  199.961   4.6388  271.294   12.569  276.847   17.914  265.910   17.639  201.977   6.5449  197.945   6.5756 4.031235 9.277676 
1 1 1  -26    1   35 o  122.577   5.0403  102.102   8.3637   98.881   11.975  105.170   11.687  120.681   7.3224  124.473   6.9283 -3.792122 10.08066 
1 1 1  -26    1   36 o  113.170   6.5221   89.343   9.2240   81.022   16.217   93.323   11.215  109.095   10.969  117.245   7.0586 -8.149857 13.04411 
1 1 1  -26    1   37 o  376.981   6.8382  967.791   32.855  962.931   57.087  970.198   40.176  376.030   11.203  377.933   7.8446 -1.902679 13.67640 
1 1 1  -26    1   38 o  449.448   6.1532  1372.92   37.475  1361.29   52.681  1384.82   53.320  447.524   8.6867  451.371   8.7172 -3.846558 12.30641 
1 1 1  -26    1   39 o  375.472   6.8892  970.170   33.141  994.330   40.984  924.525   56.334  382.565   7.9055  368.379   11.285 14.18588 13.77831 
1 1 1  -26    1   40 o  289.874   5.0370  570.611   19.786  566.220   27.905  575.051   28.059  288.752   7.1313  290.996   7.1155 -2.244354 10.07402 
1 1 1  -26    1   41 o  276.131   4.9770  517.780   18.623  525.061   26.440  510.612   26.234  278.059   7.0168  274.202   7.0601 3.856445 9.953900 
1 1 1  -26    1   42 o  538.191   6.9332  1971.41   50.563  1989.45   71.880  1953.74   71.141  540.627   9.8113  535.755   9.7988 4.871887 13.86639 
1 1 1  -26    1   43 o  353.370   5.4541  848.564   26.118  849.046   36.908  848.081   36.964  353.472   7.7053  353.269   7.7213 0.2031555 10.90822 
1 1 1  -26    1   44 o  529.552   6.8656  1909.19   49.268  1915.72   69.826  1902.71   69.526  530.453   9.7138  528.651   9.7050 1.801697 13.73112 
1 1 1  -26    1   45 o  493.892   6.5529  1660.10   43.855  1678.98   62.411  1641.69   61.638  496.664   9.2729  491.121   9.2614 5.542755 13.10575 
1 1 1  -26    1   46 o  549.664   7.0513  2058.27   52.523  2053.84   74.261  2062.70   74.296  549.070   9.9805  550.258   9.9636 -1.187805 14.10264 
1 1 1  -26    1   47 o  213.408   4.8701  309.398   14.084  311.287   20.006  307.543   19.830  214.053   6.8971  212.763   6.8778 1.289856 9.740294 
1 1 1  -26    1   48 o  291.053   6.1288  570.908   22.966  558.953   28.218  594.358   39.523  286.775   7.2612  295.332   9.8753 -8.556671 12.25754 
1 1 1  -26    1   49 o  620.450   9.4368  2618.93   74.687  2584.81   91.090  2688.91  130.464  615.421   10.922  625.480   15.392 -10.05835 18.87356 
1 1 1  -26    1   50 o  192.780   9.4245  253.216   24.621   0.0000   0.0000  253.216   24.621  ?   ?   192.780   9.4245      ?      ? 
1 1 1  -26    1   51 o  291.374   7.3311  577.253   28.947   0.0000   0.0000  577.253   28.947  ?   ?   291.374   7.3311      ?      ? 
1 1 1  -26    1   52 o  427.904   6.0624  1245.22   35.132  1297.61   50.728  1196.94   48.702  436.541   8.5752  419.267   8.5718 17.27396 12.12472 
1 1 1  -26    1   53 o  114.812   5.6077   89.733   8.7202   93.194   12.343   86.285   12.321  117.032   7.7830  112.593   8.0752 4.439308 11.21534 
1 1 1  -26    1   54 o  195.709   4.9717  260.456   13.185  259.054   18.707  261.839   18.586  195.182   7.0726  196.237   6.9892 -1.054520 9.943381 
1 1 1  -26    1   55 o  275.806   6.3885  517.267   22.267  522.084   39.457  515.016   26.972  276.448   10.532  275.165   7.2334 1.283356 12.77708 
1 1 1  -26    1   56 o  117.619   8.9073   95.054   13.882   70.591   19.065  122.669   20.255  101.324   13.885  133.914   11.162 -32.59020 17.81466 
1 1 1  -26    1   57 o  259.920   6.4418  466.743   21.193  478.145   25.903  443.659   36.858  265.101   7.2104  254.740   10.677 10.36101 12.88363 
1 1 1  -26    1   58 o  267.464   5.2319  486.126   18.946  514.765   27.367  459.768   26.255  275.026   7.3431  259.902   7.4546 15.12399 10.46382 
1 1 1  -26    1   59 o  445.107   6.2777  1351.18   37.862  1325.28   53.274  1377.61   53.821  440.784   8.9188  449.429   8.8370 -8.644714 12.55540 
1 1 1  -26    1   60 o  292.445   7.4504  584.808   29.476  580.240   40.461  589.974   43.030  291.304   10.250  293.586   10.816 -2.282135 14.90071 
1 1 1  -26    1   61 o  214.490   6.3875  307.752   17.268  297.458   20.730  331.084   31.211  209.019   7.3188  219.961   10.471 -10.94261 12.77492 
1 1 1  -26    1   62 o  502.879   6.7532  1728.22   46.020  1740.58   65.318  1716.03   64.848  504.665   9.5509  501.092   9.5499 3.572540 13.50630 
1 1 1  -26    1   63 o  209.018   5.0887  297.468   14.411  302.108   20.598  293.018   20.170  210.611   7.2172  207.425   7.1757 3.186356 10.17737 
1 1 1  -26    1   64 o  266.301   5.1866  483.018   18.713  495.186   26.783  471.414   26.156  269.577   7.3316  263.025   7.3382 6.551849 10.37317 
1 1 1  -26    1   65 o  165.965   5.2424  187.742   11.776  175.405   16.492  200.574   16.820  160.380   7.5882  171.551   7.2353 -11.17101 10.48483 
1 1 1  -26    1   66 o  161.967   6.2164  179.793   13.209  181.018   16.741  177.772   21.500  162.890   7.5840  161.044   9.8518 1.845612 12.43285 
1 1 1  -26    1   67 o  256.376   6.1462  442.350   20.298  473.245   35.089  426.812   24.885  262.639   9.8590  250.113   7.3419 12.52589 12.29247 
1 1 1  -26    1   68 o  253.062   5.1379  437.104   17.619  440.082   25.022  434.175   24.815  253.916   7.2718  252.209   7.2604 1.706924 10.27584 
1 1 1  -26    1   69 o  251.625   5.1704  432.268   17.623  450.300   25.211  415.039   24.643  256.772   7.2455  246.477   7.3780 10.29431 10.34074 
1 1 1  -26    1   70 o  216.530   5.1312  320.390   15.053  311.222   21.144  329.812   21.436  213.375   7.3125  219.684   7.2004 -6.309494 10.26249 
1 1 1  -26    1   71 o  254.520   6.5533  440.154   20.856  460.346   37.966  431.428   24.959  257.922   10.862  251.118   7.3344 6.803299 13.10669 
1 1 1  -26    1   72 o  124.365   9.0376  107.951   15.162  122.624   21.963   94.592   20.957  132.588   12.224  116.141   13.315 16.44666 18.07527 
1 1 1  -26    1   73 o  105.750   6.1602   77.053   8.8222   74.187   12.510   79.889   12.443  103.755   8.8975  107.744   8.5222 -3.988747 12.32045 
1 1 1  -26    1   74 o  111.516   5.9528   85.736   8.9840   80.669   12.696   90.817   12.714  108.160   8.6623  114.872   8.1674 -6.712746 11.90556 
1 1 1  -26    1   75 o  300.863   5.3742  622.498   21.910  615.157   30.963  629.859   31.008  299.063   7.6401  302.663   7.5601 -3.599457 10.74831 
1 1 1  -26    1   76 o  109.765   5.8898   83.254   8.7593   82.447   12.465   84.042   12.311  109.216   8.4224  110.314   8.2355 -1.098663 11.77963 
1 1 1  -26    1   77 o   39.587   9.6729   9.9405   6.5198   14.537   9.3112   5.5190   9.1322   44.845   13.891   34.329   13.465 10.51564 19.34589 
1 1 1  -26    1   78 o  161.440   5.1541  179.779   11.275  181.746   16.028  177.852   15.865  162.315   7.2866  160.565   7.2915 1.750320 10.30828 
1 1 1  -26    1   79 o  100.200   5.9836   69.860   8.1166   73.841   11.538   65.959   11.420  103.089   8.2591   97.311   8.6602 5.777618 11.96710 
1 1 1  -26    1   80 o  117.132   7.3441   97.210   11.615   87.793   16.380  106.737   16.474  111.180   10.872  123.085   9.8768 -11.90482 14.68823 
1 1 1  -26    1   81 o   43.709   10.906   13.320   8.0443   14.237   11.622   12.476   11.146   44.747   15.602   42.671   15.243 2.076019 21.81250 
1 1 1  -26    1   82 o  203.021   6.8983  292.168   18.938  268.345   26.518  316.966   27.056  194.278   10.072  211.763   9.4282 -17.48488 13.79657 
1 1 1  -26    1   83 o   39.866   10.629   9.6697   7.9320   13.651   11.529   6.0916   10.930   43.675   15.514   36.057   14.534 7.617950 21.25806 
1 1 1  -26    1   84 o  116.370   7.4463   97.568   11.736   93.926   16.573  101.231   16.622  114.064   10.722  118.675   10.336 -4.610428 14.89258 
1 1 1  -26    2    1 o  533.396   6.7425  1933.00   48.735  1931.67   69.207  1934.30   68.639  533.208   9.5780  533.585   9.4926 -0.3763428 13.48506 
1 1 1  -26    2    2 o  780.084   9.1473  4142.13   96.684  4063.89  135.387  4223.58  138.119  772.569   12.932  787.599   12.941 -15.02997 18.29469 
1 1 1  -26    2    3 o  597.302   7.3528  2424.38   59.507  2450.89   85.038  2398.94   83.300  600.493   10.450  594.112   10.346 6.380371 14.70564 
1 1 1  -26    2    4 o  455.943   6.0711  1411.40   37.507  1384.20   52.852  1439.01   53.237  451.510   8.6380  460.375   8.5333 -8.864288 12.14216 
1 1 1  -26    2    5 o  418.042   5.7584  1186.30   32.618  1184.61   46.453  1187.95   45.812  417.741   8.2058  418.342   8.0810 -0.6010437 11.51681 
1 1 1  -26    2    6 o  860.374   11.463  4915.01  113.434  4797.95  129.059  5312.58  237.836  840.025   11.337  880.723   19.928 -40.69849 22.92696 
1 1 1  -26    2    7 o  451.596   6.9553  1408.55   37.374  1434.82   43.685  1336.82   72.182  459.870   7.0100  443.321   12.015 16.54922 13.91053 
1 1 1  -26    2    8 o  361.455   6.0239  871.364   25.605  856.074   29.474  918.400   51.696  355.273   6.1220  367.636   10.377 -12.36273 12.04788 
1 1 1  -26    2    9 o  442.403   6.8283  1322.56   35.618  1315.57   41.178  1343.31   70.979  440.361   6.9004  444.446   11.785 -4.085175 13.65659 
1 1 1  -26    2   10 o  144.623   5.5162  144.104   10.442  151.040   13.339  133.127   16.780  149.219   6.5965  140.027   8.8431 9.191116 11.03242 
1 1 1  -26    2   11 o  291.933   5.8764  571.849   22.142  557.303   27.253  600.096   37.978  286.610   7.0169  297.257   9.4281 -10.64719 11.75270 
1 1 1  -26    2   12 o  155.865   5.4448  169.738   10.863  181.453   13.596  149.055   18.066  163.566   6.1339  148.163   8.9978 15.40274 10.88969 
1 1 1  -26    2   13 f  636.877   7.7168  2756.78   66.600  2752.84   94.192  2760.72   94.181  636.420   10.922  637.333   10.905 -0.9138184 15.43359 
1 1 1  -26    2   14 o  162.304   6.2806  178.671   13.814  178.671   13.814   0.0000   0.0000  162.304   6.2806  ?   ?       ?      ? 
1 1 1  -26    2   15 o  283.314   4.7667  543.785   18.289  568.373   26.416  521.150   25.345  289.457   6.7344  277.171   6.7479 12.28607 9.533427 
1 1 1  -26    2   16 o  136.574   4.5199  126.706   8.3412  115.164   11.756  138.407   11.837  130.296   6.6582  142.853   6.1144 -12.55762 9.039814 
1 1 1  -26    2   17 o  438.198   8.3875  1303.46   49.806  1303.46   49.806   0.0000   0.0000  438.198   8.3875  ?   ?       ?      ? 
1 1 1  -26    2   18 o  369.354   5.3745  925.775   26.900  926.137   38.201  925.419   37.886  369.424   7.6307  369.285   7.5707 0.1388245 10.74909 
1 1 1  -26    2   19 o  467.941   7.6279  1502.96   45.800  1535.34   56.669  1441.96   77.769  475.527   8.7941  460.356   12.466 15.17068 15.25578 
1 1 1  -26    2   20 o  839.305   12.040  4873.05  130.346  5025.35  162.706  4600.18  217.786  858.922   13.979  819.687   19.606 39.23450 24.07937 
1 1 1  -26    2   21 o  439.362   5.9608  1310.41   35.488  1322.08   50.517  1299.05   49.864  441.290   8.4476  437.433   8.4120 3.857117 11.92152 
1 1 1  -26    2   22 o  472.777   6.2450  1516.83   39.997  1557.51   57.465  1478.62   55.704  478.918   8.8544  466.636   8.8090 12.28143 12.48996 
1 1 1  -26    2   23 o  620.852   7.6008  2620.35   63.948  2607.25   90.273  2633.53   90.600  619.294   10.757  622.410   10.742 -3.116150 15.20157 
1 1 1  -26    2   24 o  804.904   11.543  4407.87  118.488  4376.65  144.666  4471.49  206.521  801.629   13.317  808.179   18.857 -6.549927 23.08540 
1 1 1  -26    2   25 o  558.741   8.5838  2118.64   61.286  2106.76   74.985  2142.54  106.363  556.791   9.9381  560.691   13.999 -3.899597 17.16760 
1 1 1  -26    2   26 o  301.799   5.0019  618.092   20.456  612.597   28.900  623.609   28.959  300.454   7.0979  303.145   7.0494 -2.691589 10.00371 
1 1 1  -26    2   27 o  389.499   5.5884  1029.68   29.493  1046.41   42.134  1013.61   41.297  392.598   7.9196  386.401   7.8868 6.197449 11.17688 
1 1 1  -26    2   28 o  343.564   5.2591  801.116   24.483  784.958   34.455  817.595   34.795  340.062   7.4767  347.066   7.3982 -7.004059 10.51826 
1 1 1  -26    2   29 o  486.839   6.3946  1610.17   42.186  1618.14   59.968  1602.35   59.357  488.029   9.0675  485.649   9.0192 2.380402 12.78927 
1 1 1  -26    2   30 o  542.938   6.9077  2003.71   50.822  2013.98   72.187  1993.63   71.564  544.313   9.7865  541.562   9.7513 2.750977 13.81532 
1 1 1  -26    2   31 f  353.201   5.3522  846.996   25.616  836.125   36.238  857.853   36.215  350.931   7.6201  355.470   7.5180 -4.540009 10.70445 
1 1 1  -26    2   32 o  635.819   7.8045  2748.48   67.209  2832.94   97.006  2670.51   93.205  645.189   11.095  626.449   10.979 18.74023 15.60903 
1 1 1  -26    2   33 o  711.158   12.040  3445.10  116.036   0.0000   0.0000  3445.10  116.036  ?   ?   711.158   12.040      ?      ? 
1 1 1  -26    2   34 o  155.055   6.1688  169.301   11.853  148.219   20.938  179.244   14.379  147.595   10.469  162.515   6.5291 -14.91985 12.33769 
1 1 1  -26    2   35 o  609.912   7.5753  2530.26   62.587  2587.59   90.050  2476.68   87.049  616.576   10.777  603.249   10.648 13.32733 15.15060 
1 1 1  -26    2   36 o  340.646   5.2934  788.019   24.435  788.448   34.690  787.595   34.423  340.735   7.5129  340.556   7.4589 0.1789246 10.58672 
1 1 1  -26    2   37 o  279.827   4.9511  531.626   18.774  532.887   26.693  530.391   26.410  280.153   7.0310  279.501   6.9728 0.6521301 9.902248 
1 1 1  -26    2   38 o  237.477   4.7998  382.818   15.444  372.552   21.710  393.335   21.973  234.251   6.8392  240.704   6.7364 -6.452377 9.599653 
1 1 1  -26    2   39 o  502.436   8.1562  1714.43   52.032  1703.11   63.261  1738.08   91.480  500.392   9.3292  504.479   13.381 -4.087311 16.31239 
1 1 1  -26    2   40 o  540.518   8.5986  1998.09   59.239  2008.24   72.502  1977.70  102.746  543.213   9.8491  537.823   14.098 5.389954 17.19727 
1 1 1  -26    2   41 o  462.747   6.2767  1456.25   39.359  1444.70   55.463  1467.97   55.865  460.898   8.8800  464.596   8.8732 -3.697784 12.55337 
1 1 1  -26    2   42 o  240.624   4.8445  393.086   15.794  402.930   22.550  383.608   22.128  243.581   6.8317  237.666   6.8707 5.915085 9.689053 
1 1 1  -26    2   43 o  221.853   4.8008  334.135   14.429  345.260   20.615  323.449   20.204  225.475   6.7467  218.230   6.8318 7.244308 9.601630 
1 1 1  -26    2   44 o  330.419   6.3905  741.429   27.233  738.109   33.658  747.721   46.341  329.565   7.5364  331.274   10.323 -1.709930 12.78108 
1 1 1  -26    2   45 o  370.605   7.8513  937.167   39.416  918.118   56.110  955.725   55.383  366.845   11.287  374.366   10.917 -7.520294 15.70265 
1 1 1  -26    2   46 o   91.024   6.3496   56.167   7.8115   62.221   11.424   50.849   10.706   95.620   8.8159   86.428   9.1406 9.192398 12.69924 
1 1 1  -26    2   47 o  309.729   6.2790  653.469   25.102  654.619   31.102  651.322   42.515  310.336   7.3957  309.123   10.149 1.212677 12.55791 
1 1 1  -26    2   48 o  587.907   9.0404  2339.97   67.675  2293.38   82.257  2437.57  119.055  579.885   10.468  595.929   14.743 -16.04474 18.08073 
1 1 1  -26    2   49 o  196.497   4.9273  262.415   13.119  261.067   18.638  263.739   18.471  195.992   7.0174  197.001   6.9188 -1.008774 9.854604 
1 1 1  -26    2   50 o  540.559   7.0151  1991.64   51.378  1948.34   71.887  2036.86   73.459  534.553   9.9237  546.564   9.9179 -12.01099 14.03011 
1 1 1  -26    2   51 o  496.331   8.0920  1682.86   51.367  1685.95   88.742  1681.30   62.992  495.967   13.204  496.696   9.3587 -0.7291260 16.18400 
1 1 1  -26    2   52 o  401.214   5.8637  1095.71   31.879  1105.77   45.418  1085.93   44.756  403.024   8.3161  399.403   8.2690 3.621094 11.72746 
1 1 1  -26    2   53 o  148.497   5.1893  149.804   10.436  156.698   15.047  143.414   14.487  151.787   7.3153  145.207   7.3621 6.579987 10.37851 
1 1 1  -26    2   54 o  301.908   6.4428  607.278   24.514  659.490   44.413  584.401   29.398  310.719   10.548  293.096   7.4017 17.62247 12.88558 
1 1 1  -26    2   55 o  286.422   6.4077  555.630   23.179  569.457   41.275  549.260   28.013  288.694   10.550  284.150   7.2750 4.544006 12.81548 
1 1 1  -26    2   56 o  263.801   5.1137  472.636   18.264  500.819   26.419  446.840   25.276  271.327   7.1854  256.275   7.2780 15.05212 10.22735 
1 1 1  -26    2   57 o  101.705   8.7451   73.942   10.788   78.240   12.905   63.972   19.655  107.118   8.8902   96.292   15.062 10.82587 17.49024 
1 1 1  -26    2   58 o  298.668   5.3179  606.906   21.517  623.159   30.863  591.534   30.015  302.555   7.5276  294.780   7.5137 7.774902 10.63582 
1 1 1  -26    2   59 o  166.814   5.1902  189.348   11.731  193.586   16.775  185.291   16.411  168.640   7.3402  164.988   7.3400 3.652496 10.38049 
1 1 1  -26    2   60 o  307.449   5.3430  643.738   22.260  638.856   31.523  648.594   31.439  306.279   7.5950  308.620   7.5172 -2.341400 10.68605 
1 1 1  -26    2   61 o  308.308   5.3723  647.306   22.442  657.228   32.098  637.818   31.389  310.612   7.6256  306.003   7.5695 4.608978 10.74463 
1 1 1  -26    2   62 o  255.417   5.1631  444.338   17.867  433.140   25.217  455.625   25.319  252.172   7.3794  258.663   7.2232 -6.490845 10.32617 
1 1 1  -26    2   63 o  268.015   5.1947  489.403   18.866  487.396   26.767  491.385   26.596  267.461   7.3852  268.569   7.3076 -1.107635 10.38949 
1 1 1  -26    2   64 o  181.308   5.2132  224.081   12.806  219.336   18.140  228.796   18.081  179.381   7.4622  183.235   7.2817 -3.853485 10.42633 
1 1 1  -26    2   65 o  282.278   7.2875  545.586   27.840  508.027   38.592  586.341   40.200  272.112   10.466  292.444   10.144 -20.33224 14.57493 
1 1 1  -26    2   66 o  373.578   7.4008  931.957   34.580  892.049   41.177  1027.43   63.691  361.269   8.4110  385.888   12.180 -24.61884 14.80156 
1 1 1  -26    2   67 o  218.606   7.3280  327.400   21.631  316.885   29.193  340.201   32.211  214.824   10.028  222.387   10.688 -7.563232 14.65599 
1 1 1  -26    2   68 o   79.457   7.6382   43.744   8.1384   36.418   11.463   51.188   11.556   72.604   11.651   86.311   9.8801 -13.70695 15.27630 
1 1 1  -26    2   69 o  123.763   5.8405  105.318   9.7367   92.286   13.783  118.299   13.756  116.007   8.7677  131.519   7.7184 -15.51237 11.68105 
1 1 1  -26    2   70 o  521.650   6.9833  1874.44   49.362  1885.27   70.278  1863.89   69.349  523.104   9.9140  520.196   9.8376 2.907898 13.96664 
1 1 1  -26    2   71 o  274.542   6.6657  521.679   22.945  512.360   40.910  525.955   27.714  271.877   11.104  277.207   7.3775 -5.329712 13.33139 
1 1 1  -26    2   72 o  225.502   6.5378  349.498   18.523  347.734   22.336  353.383   33.146  225.316   7.3154  225.688   10.838 -0.3724823 13.07564 
1 1 1  -26    2   73 o  146.154   5.3831  146.586   10.661  149.353   15.160  143.880   14.994  147.525   7.5834  144.783   7.6421 2.742279 10.76613 
1 1 1  -26    2   74 f  176.696   5.1462  213.999   12.310  227.830   17.736  201.141   17.100  182.228   7.1821  171.165   7.3723 11.06287 10.29242 
1 1 1  -26    2   75 o  116.999   5.7413   94.466   9.0810   86.503   12.775  102.598   12.911  111.934   8.4220  122.064   7.8052 -10.12983 11.48269 
1 1 1  -26    2   76 o   77.449   7.1737   41.896   7.5078   45.878   10.700   38.034   10.537   81.168   9.7277   73.730   10.546 7.437469 14.34746 
1 1 1  -26    2   77 o   82.077   6.7785   46.994   7.5381   46.889   10.755   47.095   10.569   81.963   9.6829   82.191   9.4888 -0.2280350 13.55709 
1 1 1  -26    2   78 o  145.482   5.2692  146.189   10.380  154.124   14.793  138.493   14.568  149.425   7.3055  141.540   7.5954 7.884949 10.53848 
1 1 1  -26    2   79 o   70.297   8.9699   36.892   8.0383   39.616   10.307   32.664   12.841   74.996   10.142   65.599   14.798 9.396927 17.93989 
1 1 1  -26    2   80 o   90.912   8.3900   59.650   10.171   47.595   14.255   72.153   14.518   80.993   12.988  100.831   10.625 -19.83866 16.78008 
1 1 1  -26    2   81 o  146.141   7.1215  150.533   14.000  177.593   20.588  127.255   19.095  158.597   9.5793  133.685   10.540 24.91220 14.24301 
1 1 1  -26    2   82 o  101.994   8.0230   74.933   11.058   82.608   15.906   67.753   15.383  107.259   10.943   96.730   11.736 10.52963 16.04602 
1 1 1  -26    2   83 o  143.644   7.1815  146.969   13.894  170.551   20.309  126.220   19.050  154.777   9.6826  132.511   10.609 22.26605 14.36309 
1 1 1  -26    2   84 o  136.984   10.030  134.585   18.619   0.0000   0.0000  134.585   18.619  ?   ?   136.984   10.030      ?      ? 
1 1 1  -26    3    1 o  215.904   4.4252  316.737   12.925  305.091   18.610  327.588   17.964  212.055   6.4760  219.754   6.0324 -7.698608 8.850343 
1 1 1  -26    3    2 o  154.873   4.4239  163.324   9.2461  154.069   13.457  171.599   12.725  150.691   6.5900  159.054   5.9039 -8.363159 8.847834 
1 1 1  -26    3    3 o  585.420   7.2474  2329.56   57.489  2332.36   81.909  2326.84   80.709  585.754   10.319  585.086   10.179 0.6680298 14.49476 
1 1 1  -26    3    4 o  661.349   7.9721  2974.96   71.445  2953.72  101.102  2996.14  100.976  658.981   11.321  663.717   11.227 -4.736023 15.94414 
1 1 1  -26    3    5 o  647.632   8.9549  2762.35   66.796  2682.88   75.950  3033.69  140.337  628.512   8.9173  666.752   15.532 -38.23956 17.90976 
1 1 1  -26    3    6 o  446.524   6.8026  1333.88   35.652  1313.66   41.026  1396.24   72.058  440.013   6.8803  453.035   11.737 -13.02277 13.60525 
1 1 1  -26    3    7 o  389.813   6.2761  1027.58   28.995  1022.98   33.617  1040.93   57.295  388.331   6.3881  391.294   10.805 -2.963135 12.55226 
1 1 1  -26    3    8 o  238.682   5.0198  373.000   14.339  358.630   16.585  415.557   28.541  229.970   5.3217  247.394   8.5132 -17.42422 10.03968 
1 1 1  -26    3    9 o  357.364   5.9523  846.218   25.095  825.620   28.890  909.534   50.651  348.887   6.1105  365.841   10.217 -16.95447 11.90462 
1 1 1  -26    3   10 o  674.739   9.2894  3041.98   72.912  2988.68   83.499  3213.08  149.607  663.341   9.2888  686.136   16.090 -22.79504 18.57885 
1 1 1  -26    3   11 o  561.792   8.0540  2139.24   53.336  2132.07   61.687  2160.45  106.155  560.434   8.1225  563.149   13.910 -2.715149 16.10809 
1 1 1  -26    3   12 o  271.857   5.3361  494.251   17.347  486.255   20.153  517.114   34.078  267.774   5.5538  275.940   9.1134 -8.165558 10.67229 
1 1 1  -26    3   13 o  275.389   5.8014  517.672   20.858  525.723   26.303  504.034   34.235  278.361   6.9728  272.417   9.2738 5.943939 11.60275 
1 1 1  -26    3   14 o  278.560   9.2873  527.026   35.058   0.0000   0.0000  527.026   35.058  ?   ?   278.560   9.2873      ?      ? 
1 1 1  -26    3   15 o  555.805   6.9641  2098.69   52.451  2112.73   74.561  2084.94   73.800  557.642   9.8668  553.968   9.8307 3.673889 13.92828 
1 1 1  -26    3   16 o  671.220   8.0739  3063.70   73.437  3083.06  104.403  3044.75  103.317  673.313   11.442  669.126   11.394 4.186646 16.14787 
1 1 1  -26    3   17 o  373.234   5.3988  945.466   27.306  939.117   38.678  951.775   38.554  371.982   7.6729  374.487   7.5972 -2.504608 10.79770 
1 1 1  -26    3   18 o  234.679   4.5563  373.442   14.486  380.676   20.782  366.605   20.203  236.887   6.4740  232.471   6.4130 4.416595 9.112556 
1 1 1  -26    3   19 o  400.381   6.8300  1090.87   35.193  1094.80   43.477  1083.41   59.935  401.599   7.9889  399.164   11.080 2.434814 13.65994 
1 1 1  -26    3   20 o  451.843   7.3634  1386.36   42.720  1383.47   52.571  1391.98   73.299  451.378   8.5946  452.309   11.959 -0.9310913 14.72673 
1 1 1  -26    3   21 o  651.405   11.188  2885.77   98.760  2885.77   98.760   0.0000   0.0000  651.405   11.188  ?   ?       ?      ? 
1 1 1  -26    3   22 o  683.553   10.102  3154.54   87.463  3100.07  105.829  3271.93  155.353  675.052   11.569  692.055   16.565 -17.00330 20.20496 
1 1 1  -26    3   23 o  606.430   7.4653  2500.31   61.349  2501.21   86.978  2499.42   86.545  606.534   10.582  606.327   10.533 0.2064209 14.93062 
1 1 1  -26    3   24 o  162.826   4.5499  178.750   9.9997  202.508   14.756  158.572   13.599  172.773   6.3024  152.878   6.5639 19.89449 9.099707 
1 1 1  -26    3   25 o  225.603   4.5890  345.236   14.025  348.373   20.139  342.282   19.542  226.594   6.5587  224.611   6.4202 1.983353 9.177979 
1 1 1  -26    3   26 o  654.020   7.9370  2909.07   70.330  2961.73  100.710  2858.95   98.258  659.785   11.264  648.254   11.185 11.53070 15.87394 
1 1 1  -26    3   27 o  474.754   6.2925  1530.69   40.475  1556.87   57.945  1505.74   56.562  478.713   8.9322  470.796   8.8656 7.916962 12.58501 
1 1 1  -26    3   28 o  713.578   8.5284  3466.92   82.465  3495.06  117.394  3439.50  115.866  716.428   12.092  710.728   12.030 5.699646 17.05684 
1 1 1  -26    3   29 o  698.992   8.3899  3326.70   79.469  3340.22  112.848  3313.40  111.931  700.394   11.890  697.590   11.840 2.803711 16.77971 
1 1 1  -26    3   30 o  680.099   10.037  3064.04   85.345  3396.45  157.589  2926.09  101.522  704.575   16.505  655.623   11.427 48.95245 20.07455 
1 1 1  -26    3   31 o  288.876   6.0573  566.908   22.232  567.081   38.923  566.824   27.084  288.773   9.9464  288.979   6.9162 -0.2053223 12.11465 
1 1 1  -26    3   32 o  209.042   5.8248  305.165   15.418  272.505   26.333  322.201   19.019  200.189   9.7070  217.895   6.4411 -17.70628 11.64964 
1 1 1  -26    3   33 o  397.157   7.0018  1077.71   35.499  1058.11   61.275  1087.62   43.552  394.168   11.471  400.146   8.0317 -5.977631 14.00369 
1 1 1  -26    3   34 o  406.119   7.0564  1100.92   36.217  1180.00   65.100  1065.48   43.584  416.210   11.542  396.028   8.1211 20.18268 14.11286 
1 1 1  -26    3   35 o  481.862   6.4000  1578.56   41.791  1570.49   59.119  1586.62   59.084  480.626   9.0768  483.098   9.0250 -2.472076 12.79999 
1 1 1  -26    3   36 o  216.102   4.7214  316.848   13.823  324.726   19.835  309.411   19.273  218.711   6.6925  213.493   6.6617 5.217972 9.442836 
1 1 1  -26    3   37 o  295.534   5.0572  593.060   20.251  596.145   28.891  590.081   28.394  296.286   7.1957  294.783   7.1080 1.502747 10.11445 
1 1 1  -26    3   38 o  348.025   5.3898  822.172   25.409  846.587   36.572  799.390   35.328  353.013   7.6450  343.037   7.5996 9.975983 10.77966 
1 1 1  -26    3   39 o  294.027   6.0817  588.802   23.176  591.319   28.870  584.241   38.866  295.061   7.2202  292.994   9.7887 2.066620 12.16349 
1 1 1  -26    3   40 o  178.274   9.7094  216.311   23.457  216.311   23.457   0.0000   0.0000  178.274   9.7094  ?   ?       ?      ? 
1 1 1  -26    3   41 o  242.260   7.0616  399.936   23.148  426.433   32.808  373.670   32.664  250.294   9.6726  234.227   10.291 16.06662 14.12311 
1 1 1  -26    3   42 o  231.059   4.8346  362.608   15.133  350.779   21.318  374.622   21.485  227.254   6.9225  234.864   6.7506 -7.610367 9.669106 
1 1 1  -26    3   43 o   97.106   5.8830   64.014   7.7197   71.035   11.158   57.566   10.692  102.216   8.0551   91.996   8.5763 10.22034 11.76594 
1 1 1  -26    3   44 o  590.741   7.4301  2378.29   59.474  2410.41   84.833  2347.25   83.404  594.656   10.527  586.826   10.488 7.830383 14.86011 
1 1 1  -26    3   45 f  413.698   7.1568  1166.60   38.137  1167.28   47.130  1165.31   64.905  414.241   8.3959  413.155   11.593 1.086365 14.31361 
1 1 1  -26    3   46 o  287.052   6.1195  564.281   22.790  573.364   28.516  548.225   37.917  290.455   7.2449  283.648   9.8643 6.806183 12.23905 
1 1 1  -26    3   47 o  543.820   7.0223  2015.68   51.750  2018.95   73.401  2012.44   72.973  544.253   9.9522  543.387   9.9099 0.8654785 14.04464 
1 1 1  -26    3   48 o  129.117   5.3366  113.418   9.3325  110.099   13.273  116.663   13.125  127.239   7.6976  130.995   7.3937 -3.756653 10.67329 
1 1 1  -26    3   49 o  248.445   4.9549  419.355   16.678  427.750   23.922  411.417   23.263  250.860   7.0369  246.031   6.9775 4.829315 9.909753 
1 1 1  -26    3   50 o  224.682   4.9173  343.243   14.968  336.286   21.267  350.073   21.070  222.415   7.0559  226.950   6.8509 -4.534790 9.834667 
1 1 1  -26    3   51 o  280.610   6.2538  541.061   22.410  522.148   38.472  550.774   27.570  276.607   10.264  284.612   7.1482 -8.005249 12.50762 
1 1 1  -26    3   52 o  385.310   5.7853  1010.12   30.193  1027.88   43.532  993.652   41.911  388.553   8.2675  382.067   8.0949 6.485626 11.57063 
1 1 1  -26    3   53 o  281.145   6.4649  547.799   23.018  512.956   39.827  565.276   28.207  274.000   10.726  288.290   7.2200 -14.29099 12.92973 
1 1 1  -26    3   54 o  172.036   5.0477  201.177   11.762  205.298   16.951  197.350   16.335  173.729   7.2001  170.344   7.0763 3.384720 10.09530 
1 1 1  -26    3   55 o  226.409   5.0043  348.690   15.353  346.471   21.766  350.888   21.660  225.687   7.1169  227.131   7.0372 -1.443939 10.00859 
1 1 1  -26    3   56 o  414.398   6.0078  1170.29   33.737  1166.55   47.772  1174.00   47.652  413.731   8.5206  415.064   8.4719 -1.332916 12.01556 
1 1 1  -26    3   57 o  272.002   6.5787  498.825   22.511  488.873   27.062  521.179   40.559  267.997   7.4516  276.008   10.844 -8.010925 13.15738 
1 1 1  -26    3   58 o  458.994   6.3622  1437.30   39.572  1425.08   55.909  1449.57   56.018  457.029   9.0273  460.959   8.9677 -3.930298 12.72446 
1 1 1  -26    3   59 o  241.342   5.0809  396.581   16.611  389.330   23.660  403.629   23.327  239.148   7.3009  243.536   7.0682 -4.387894 10.16181 
1 1 1  -26    3   60 o  213.025   5.0350  308.897   14.534  309.486   20.667  308.321   20.444  213.221   7.1527  212.828   7.0884 0.3929749 10.07006 
1 1 1  -26    3   61 o  266.466   5.1664  483.612   18.653  478.851   26.503  488.285   26.258  265.154   7.3758  267.779   7.2362 -2.625092 10.33273 
1 1 1  -26    3   62 o  258.491   5.1439  454.975   18.014  462.051   25.837  448.282   25.128  260.437   7.3209  256.544   7.2280 3.892426 10.28780 
1 1 1  -26    3   63 o  425.185   6.1300  1234.55   35.317  1245.16   50.359  1224.28   49.542  426.968   8.7036  423.401   8.6345 3.566803 12.25999 
1 1 1  -26    3   64 o  135.134   6.6400  127.538   11.729  136.180   15.056  114.197   18.706  141.277   7.8640  128.992   10.701 12.28500 13.28001 
1 1 1  -26    3   65 o  288.500   6.3056  562.970   23.515  548.573   29.001  590.601   40.177  283.565   7.5469  293.435   10.104 -9.869537 12.61115 
1 1 1  -26    3   66 o  374.180   5.8086  956.503   29.440  972.345   42.397  941.750   40.913  377.139   8.2956  371.222   8.1328 5.916992 11.61723 
1 1 1  -26    3   67 o  217.757   6.1836  325.870   17.281  321.177   29.516  328.318   21.316  216.180   10.075  219.334   7.1715 -3.153427 12.36712 
1 1 1  -26    3   68 o  234.007   5.1633  374.352   16.350  350.996   23.093  397.829   23.153  226.625   7.5194  241.389   7.0778 -14.76357 10.32655 
1 1 1  -26    3   69 o  197.142   5.1870  265.930   13.844  256.388   19.749  275.150   19.413  193.615   7.5270  200.668   7.1389 -7.053146 10.37396 
1 1 1  -26    3   70 o  173.959   7.2813  207.008   17.165   0.0000   0.0000  207.008   17.165  ?   ?   173.959   7.2813      ?      ? 
1 1 1  -26    3   71 o  149.930   8.1352  158.749   16.177  192.252   22.646  123.843   23.116  166.804   10.019  133.057   12.820 33.74699 16.27041 
1 1 1  -26    3   72 o   95.560   9.3294   67.910   10.383   72.136   12.404   58.015   18.981  102.304   8.9469   88.816   16.374 13.48718 18.65872 
1 1 1  -26    3   73 o  103.870   6.2356   74.510   8.7541   81.189   12.447   67.973   12.314  108.554   8.4613   99.185   9.1617 9.369164 12.47124 
1 1 1  -26    3   74 o   77.857   7.1590   42.148   7.5526   42.818   10.763   41.498   10.601   78.467   10.122   77.247   10.127 1.220695 14.31802 
1 1 1  -26    3   75 o  165.600   5.1601  188.499   11.575  196.588   16.563  180.778   16.181  169.094   7.2283  162.107   7.3660 6.986862 10.32016 
1 1 1  -26    3   76 o  141.243   5.3995  137.508   10.275  158.057   14.830  118.538   14.249  151.516   7.2226  130.970   8.0281 20.54614 10.79894 
1 1 1  -26    3   77 o  198.949   5.0595  272.633   13.632  259.455   19.028  286.530   19.540  193.973   7.2388  203.925   7.0708 -9.951309 10.11908 
1 1 1  -26    3   78 o  136.925   5.3822  129.827   9.9787  124.142   14.130  135.483   14.094  133.865   7.7892  139.985   7.4297 -6.119827 10.76440 
1 1 1  -26    3   79 o  114.616   6.6064   90.844   9.9637   86.881   12.551   97.599   16.385  111.697   8.2919  117.535   10.287 -5.837189 13.21281 
1 1 1  -26    3   80 o   55.550   10.925   23.874   8.5237   23.544   12.204   24.189   11.910   55.149   15.620   55.951   15.278 -0.8019257 21.84953 
1 1 1  -26    3   81 o   87.609   8.9458   56.976   10.177   45.797   14.386   68.176   14.399   77.643   14.196   97.574   10.890 -19.93033 17.89161 
1 1 1  -26    3   82 o  160.422   7.0335  182.557   15.250  201.484   22.352  166.071   20.860  168.282   9.8015  152.562   10.090 15.72014 14.06690 
1 1 1  -26    3   83 o   57.153   10.542   24.272   8.9609   41.277   13.552   11.063   11.945   73.114   14.190   41.192   15.593 31.92165 21.08336 
1 1 1  -26    3   84 o   79.996   12.424   47.386   13.468   0.0000   0.0000   47.386   13.468  ?   ?    79.996   12.424      ?      ? 
1 1 1  -26    4    1 o  284.629   5.7662  546.042   21.234  536.535   26.255  564.016   36.102  281.168   6.8906  288.090   9.2475 -6.921478 11.53243 
1 1 1  -26    4    2 o  159.090   4.3322  171.939   9.2959  169.239   13.774  174.197   12.598  157.931   6.4357  160.249   5.8012 -2.317825 8.664422 
1 1 1  -26    4    3 o  180.032   4.3531  219.841   10.589  220.501   15.599  219.278   14.419  180.274   6.3854  179.791   5.9181 0.4832458 8.706227 
1 1 1  -26    4    4 o  262.725   5.2094  472.614   16.434  477.461   19.265  459.657   31.498  265.331   5.3579  260.119   8.9356 5.212097 10.41880 
1 1 1  -26    4    5 o  378.920   6.1286  965.093   27.506  954.565   31.831  996.127   54.651  375.103   6.2620  382.737   10.537 -7.634399 12.25718 
1 1 1  -26    4    6 o  674.030   9.2649  3037.43   72.674  2983.96   83.245  3208.78  149.014  662.711   9.2694  685.350   16.045 -22.63953 18.52984 
1 1 1  -26    4    7 o  219.364   5.0226  331.408   13.314  337.493   15.699  315.818   25.128  223.085   5.1928  215.643   8.5989 7.442612 10.04523 
1 1 1  -26    4    8 o  206.562   5.0223  296.615   12.557  305.838   14.873  273.719   23.433  212.367   5.1680  200.758   8.6132 11.60973 10.04466 
1 1 1  -26    4    9 o  334.786   5.7677  757.915   23.111  754.441   26.939  767.598   44.978  333.500   5.9607  336.073   9.8760 -2.571991 11.53539 
1 1 1  -26    4   10 o  682.228   9.3713  3121.47   74.621  3074.83   85.649  3268.40  152.024  672.733   9.3950  691.724   16.218 -18.99139 18.74270 
1 1 1  -26    4   11 o  297.088   5.8047  597.906   22.247  594.834   27.497  603.729   37.854  296.079   6.8533  298.098   9.3707 -2.018524 11.60935 
1 1 1  -26    4   12 o  297.687   5.8559  608.196   22.575  624.684   28.265  579.148   37.516  303.416   6.8742  291.958   9.4823 11.45856 11.71187 
1 1 1  -26    4   13 o  718.459   10.426  3529.65   96.119  3548.71  118.454  3492.92  164.466  722.080   12.106  714.838   16.978 7.242065 20.85171 
1 1 1  -26    4   14 o  296.173   5.8819  602.803   22.591  621.651   28.367  570.120   37.354  302.676   6.9160  289.670   9.5160 13.00577 11.76375 
1 1 1  -26    4   15 o  306.624   6.9503  637.972   28.826  653.878   42.282  624.161   39.401  310.168   10.060  303.080   9.5933 7.087402 13.90057 
1 1 1  -26    4   16 o  704.091   10.306  3366.34   93.087  3335.70  114.270  3426.80  160.500  700.076   12.045  708.107   16.726 -8.030396 20.61166 
1 1 1  -26    4   17 o  332.922   5.1006  752.061   23.007  759.960   32.907  744.508   32.180  334.629   7.2568  331.216   7.1695 3.413055 10.20112 
1 1 1  -26    4   18 o  211.779   4.4778  303.825   12.841  316.294   18.606  292.485   17.744  215.921   6.3589  207.637   6.3060 8.283600 8.955535 
1 1 1  -26    4   19 o  224.715   4.5296  341.945   13.779  357.517   20.044  327.993   18.974  229.555   6.4435  219.876   6.3678 9.679260 9.059173 
1 1 1  -26    4   20 o  693.177   8.2986  3266.60   77.907  3370.72  112.565  3170.87  107.935  703.751   11.803  682.604   11.668 21.14691 16.59723 
1 1 1  -26    4   21 o  381.180   5.4781  985.939   28.288  1004.32   40.638  968.657   39.402  384.621   7.7967  377.739   7.6974 6.881653 10.95625 
1 1 1  -26    4   22 f  266.901   5.8544  483.077   19.965  481.714   24.439  485.812   34.616  266.435   6.7688  267.367   9.5541 -0.9314270 11.70889 
1 1 1  -26    4   23 o  184.756   5.5634  230.170   13.151  227.001   16.076  236.578   22.862  182.908   6.4859  186.603   9.0410 -3.694916 11.12683 
1 1 1  -26    4   24 o  176.050   4.4839  210.707   10.676  199.102   15.277  221.783   14.925  171.294   6.5815  180.806   6.0913 -9.512314 8.967701 
1 1 1  -26    4   25 o  290.401   4.8846  571.283   19.204  598.624   27.902  546.675   26.471  296.988   6.9330  283.813   6.8827 13.17535 9.769213 
1 1 1  -26    4   26 o  166.129   4.5911  187.850   10.304  174.888   14.784  200.094   14.369  160.528   6.7961  171.731   6.1745 -11.20352 9.182121 
1 1 1  -26    4   27 o  259.551   5.8195  459.335   19.202  452.446   33.450  462.720   23.450  257.983   9.5680  261.119   6.6271 -3.136261 11.63895 
1 1 1  -26    4   28 o  131.180   5.9013  116.388   9.8735  118.397   17.228  115.406   12.049  131.963   9.6339  130.396   6.8184 1.566757 11.80267 
1 1 1  -26    4   29 f  391.805   5.6339  1041.73   29.899  1071.53   43.118  1014.14   41.495  397.192   8.0108  386.419   7.9241 10.77237 11.26784 
1 1 1  -26    4   30 f  401.090   5.7037  1091.98   30.989  1122.21   44.574  1063.71   43.114  406.455   8.0926  395.725   8.0397 10.73010 11.40732 
1 1 1  -26    4   31 o  264.820   4.8290  476.086   17.328  472.045   24.591  480.072   24.422  263.700   6.8815  265.940   6.7767 -2.240173 9.658089 
1 1 1  -26    4   32 o  240.039   4.7682  391.328   15.502  379.466   22.033  402.956   21.814  236.426   6.8769  243.651   6.6068 -7.225632 9.536330 
1 1 1  -26    4   33 o  276.394   4.9275  518.663   18.451  518.612   26.404  518.712   25.794  276.374   7.0499  276.414   6.8863 -0.3979492E-01 9.855044 
1 1 1  -26    4   34 o  312.756   6.3946  668.716   25.496  654.264   44.089  675.977   31.251  310.015   10.495  315.497   7.3094 -5.481903 12.78924 
1 1 1  -26    4   35 o  261.728   9.2808  465.895   32.917   0.0000   0.0000  465.895   32.917  ?   ?   261.728   9.2808      ?      ? 
1 1 1  -26    4   36 o  318.164   6.3448  686.161   25.675  694.790   44.991  681.994   31.266  319.446   10.393  316.881   7.2809 2.564728 12.68962 
1 1 1  -26    4   37 o  591.157   7.4032  2379.87   59.305  2382.51   84.207  2377.27   83.537  591.471   10.506  590.842   10.433 0.6293945 14.80637 
1 1 1  -26    4   38 o  481.872   6.4311  1579.19   41.989  1598.32   60.012  1560.84   58.770  484.723   9.1362  479.022   9.0536 5.700317 12.86225 
1 1 1  -26    4   39 o  262.237   4.9221  466.509   17.480  482.125   25.293  452.233   24.184  266.428   7.0054  258.045   6.9160 8.383698 9.844153 
1 1 1  -26    4   40 o  162.575   6.2545  182.231   12.833  186.726   15.644  172.982   22.440  165.803   6.9627  159.346   10.392 6.457397 12.50906 
1 1 1  -26    4   41 o  452.605   7.6875  1394.93   44.328  1391.76   54.128  1401.38   77.246  452.298   8.8311  452.912   12.586 -0.6144714 15.37492 
1 1 1  -26    4   42 o  328.553   5.2936  733.529   23.564  737.905   33.712  729.350   32.950  329.503   7.5499  327.604   7.4221 1.898834 10.58723 
1 1 1  -26    4   43 o  336.380   6.4049  765.158   27.858  753.684   34.445  786.855   47.365  332.979   7.6336  339.781   10.287 -6.802185 12.80972 
1 1 1  -26    4   44 o  549.833   8.5786  2059.79   60.502  2047.49   74.324  2083.93  104.168  548.143   10.006  551.523   13.938 -3.379639 17.15729 
1 1 1  -26    4   45 o  209.595   4.8659  298.470   13.819  299.694   19.716  297.289   19.374  210.014   6.9276  209.177   6.8348 0.8365479 9.731710 
1 1 1  -26    4   46 o  267.398   5.0065  485.714   18.136  495.157   26.051  476.835   25.263  269.913   7.1222  264.882   7.0381 5.031219 10.01305 
1 1 1  -26    4   47 o  367.878   5.5937  920.243   27.878  934.810   39.996  906.479   38.879  370.699   7.9619  365.057   7.8591 5.642090 11.18739 
1 1 1  -26    4   48 o  404.849   5.8623  1113.57   32.133  1163.40   46.658  1068.62   44.317  413.441   8.3278  396.257   8.2530 17.18365 11.72455 
1 1 1  -26    4   49 o  111.215   5.6884   84.301   8.5508   82.103   12.455   86.261   11.761  109.821   8.3687  112.608   7.7069 -2.786148 11.37680 
1 1 1  -26    4   50 o  175.352   4.9393  208.702   11.727  217.941   17.010  200.332   16.191  179.043   7.0106  171.661   6.9599 7.381378 9.878697 
1 1 1  -26    4   51 o  232.458   6.9169  367.384   21.789   0.0000   0.0000  367.384   21.789  ?   ?   232.458   6.9169      ?      ? 
1 1 1  -26    4   52 f  276.638   6.4776  528.646   22.434  503.353   39.837  540.393   27.148  271.390   10.832  281.886   7.1068 -10.49561 12.95526 
1 1 1  -26    4   53 o  123.802   5.5025  104.126   9.2220  110.534   13.364   98.301   12.742  127.435   7.7386  120.170   7.8246 7.264832 11.00500 
1 1 1  -26    4   54 o  132.933   5.4180  120.557   9.7375  113.523   13.953  127.237   13.596  129.119   7.9744  136.747   7.3367 -7.628616 10.83596 
1 1 1  -26    4   55 o  257.957   5.1495  452.678   17.990  455.927   25.930  449.663   24.981  258.832   7.3928  257.081   7.1706 1.751038 10.29904 
1 1 1  -26    4   56 f  222.810   5.1666  337.993   15.592  333.032   22.315  342.725   21.794  221.193   7.4445  224.426   7.1661 -3.233749 10.33316 
1 1 1  -26    4   57 f  200.907   6.4924  278.947   16.416  285.194   19.955  265.868   28.875  204.708   7.1934  197.106   10.810 7.602615 12.98488 
1 1 1  -26    4   58 o  192.186   5.1277  250.517   13.330  270.830   19.513  232.744   18.252  199.468   7.2189  184.904   7.2843 14.56395 10.25545 
1 1 1  -26    4   59 o  319.987   5.3926  697.255   23.377  706.297   33.539  688.712   32.602  321.990   7.6865  317.983   7.5657 4.006714 10.78528 
1 1 1  -26    4   60 o   99.477   6.3172   67.341   8.5012   72.724   12.418   62.591   11.663  103.211   8.8783   95.742   8.9891 7.469032 12.63445 
1 1 1  -26    4   61 o  204.327   5.0614  284.055   14.007  294.440   20.190  274.417   19.450  207.923   7.1655  200.731   7.1502 7.191910 10.12271 
1 1 1  -26    4   62 o  301.538   5.3340  619.855   21.793  607.577   30.802  632.161   30.838  298.531   7.6140  304.545   7.4723 -6.014069 10.66807 
1 1 1  -26    4   63 o  166.146   6.1962  192.259   13.485  204.721   17.345  173.217   21.441  173.289   7.3864  159.003   9.9506 14.28630 12.39243 
1 1 1  -26    4   64 o  268.342   5.2306  491.184   19.017  481.638   26.925  500.687   26.863  265.720   7.4774  270.963   7.3159 -5.242615 10.46112 
1 1 1  -26    4   65 o  167.017   5.2386  190.432   11.851  186.194   16.881  194.551   16.642  165.163   7.5422  168.872   7.2724 -3.709274 10.47722 
1 1 1  -26    4   66 o  248.922   6.2241  423.194   19.796  428.011   34.339  420.797   24.226  249.538   10.155  248.307   7.1998 1.231079 12.44818 
1 1 1  -26    4   67 f  118.215   6.8531   91.051   10.449  112.416   18.469   80.993   12.672  127.707   10.672  108.724   8.6005 18.98327 13.70616 
1 1 1  -26    4   68 o  159.311   5.2496  173.601   11.325  171.434   16.272  175.637   15.771  158.315   7.5847  160.307   7.2599 -1.992126 10.49921 
1 1 1  -26    4   69 o  207.934   6.4485  297.787   16.753  296.073   30.161  298.552   20.147  206.903   10.757  208.965   7.1148 -2.061676 12.89699 
1 1 1  -26    4   70 o  343.559   5.6624  809.103   26.344  826.247   38.123  793.436   36.445  346.986   8.1075  340.132   7.9069 6.854004 11.32478 
1 1 1  -26    4   71 o  170.031   5.3227  198.349   12.258  192.551   17.426  204.027   17.245  167.530   7.6760  172.532   7.3760 -5.001923 10.64545 
1 1 1  -26    4   72 o   99.282   9.2802   75.811   10.609   84.417   12.819   57.101   18.900  110.685   8.5462   87.879   16.476 22.80587 18.56048 
1 1 1  -26    4   73 o  102.247   6.3839   73.410   8.6061   54.064   12.123   93.062   12.219   88.183   10.145  116.312   7.7522 -28.12907 12.76789 
1 1 1  -26    4   74 f  183.017   5.1173  230.281   12.690  227.641   18.030  232.872   17.863  181.950   7.3124  184.084   7.1607 -2.133759 10.23464 
1 1 1  -26    4   75 o  129.121   5.5953  115.362   9.7638  106.449   13.877  124.101   13.740  124.065   8.2539  134.177   7.5568 -10.11194 11.19068 
1 1 1  -26    4   76 f   33.571   9.4817   3.3586   7.0693  -6.2358   11.279   9.5659   9.0724   28.569   13.054   38.573   13.755 -10.00346 18.96347 
1 1 1  -26    4   77 o  123.763   7.0206  105.539   11.031  101.993   13.345  113.187   19.600  121.248   8.1222  126.279   11.454 -5.030167 14.04119 
1 1 1  -26    4   78 o  162.044   7.3970  181.770   16.243  181.770   16.243   0.0000   0.0000  162.044   7.3970  ?   ?       ?      ? 
1 1 1  -26    4   79 o   94.772   8.6722   71.958   9.5918   91.640   12.427   42.953   15.086  114.726   7.9933   74.817   15.393 39.90888 17.34446 
1 1 1  -26    4   80 o   98.980   8.0334   70.078   10.750   75.860   15.852   65.155   14.628  102.729   11.387   95.231   11.335 7.498665 16.06688 
1 1 1  -26    4   81 o  124.325   7.4340  110.942   12.469  106.474   18.259  114.846   17.068  121.605   11.080  127.044   9.9141 -5.439156 14.86797 
1 1 1  -26    4   82 o  128.718   7.3440  118.927   12.805  119.289   18.378  118.586   17.852  128.808   10.528  128.627   10.242 0.1808472 14.68806 
1 1 1  -26    4   83 o  120.259   10.284  104.115   16.760   0.0000   0.0000  104.115   16.760  ?   ?   120.259   10.284      ?      ? 
1 1 1  -26    5    1 o  691.879   8.2633  3258.71   77.452  3152.64  108.248  3369.98  110.867  680.332   11.741  703.426   11.631 -23.09430 16.52657 
1 1 1  -26    5    2 o  159.802   5.1317  173.779   10.957  175.885   14.390  170.874   16.901  160.984   6.5964  158.620   7.8629 2.364395 10.26341 
1 1 1  -26    5    3 o  409.648   6.5631  1138.85   36.434  1138.85   36.434   0.0000   0.0000  409.648   6.5631  ?   ?       ?      ? 
1 1 1  -26    5    4 o  194.786   5.0926  257.322   13.442  257.322   13.442   0.0000   0.0000  194.786   5.0926  ?   ?       ?      ? 
1 1 1  -26    5    5 o  254.262   5.0513  424.815   15.436  409.447   17.906  469.291   30.460  245.695   5.3779  262.829   8.5522 -17.13412 10.10256 
1 1 1  -26    5    6 o  216.525   4.8545  313.578   12.821  307.784   15.066  328.790   24.410  213.028   5.2189  220.022   8.1870 -6.993958 9.708920 
1 1 1  -26    5    7 o  404.178   6.3408  1090.64   30.345  1070.80   35.052  1149.98   60.627  397.241   6.5114  411.116   10.882 -13.87460 12.68155 
1 1 1  -26    5    8 o  407.943   6.4066  1125.21   31.137  1119.09   36.197  1142.64   61.064  406.095   6.5774  409.791   10.996 -3.695435 12.81325 
1 1 1  -26    5    9 f  295.943   5.4010  583.944   19.206  571.950   22.353  617.773   37.540  290.375   5.6805  301.511   9.1877 -11.13571 10.80198 
1 1 1  -26    5   10 o  210.584   4.9103  299.731   12.692  298.059   15.023  303.901   23.721  209.636   5.2881  211.533   8.2752 -1.896652 9.820537 
1 1 1  -26    5   11 o  357.685   6.0096  880.280   25.916  894.156   30.497  844.215   49.166  363.031   6.1991  352.339   10.297 10.69208 12.01929 
1 1 1  -26    5   12 o  245.061   5.0713  397.383   15.090  385.200   17.634  430.714   29.167  238.311   5.4604  251.811   8.5474 -13.49971 10.14265 
1 1 1  -26    5   13 o  729.453   9.9331  3596.08   84.983  3562.93   97.917  3697.29  171.082  723.915   9.9813  734.991   17.177 -11.07635 19.86619 
1 1 1  -26    5   14 o  236.137   5.1311  382.772   14.822  388.620   17.599  368.504   27.492  239.369   5.4256  232.906   8.7106 6.462662 10.26212 
1 1 1  -26    5   15 o  357.722   6.0051  873.471   25.866  878.587   30.337  859.846   49.505  359.855   6.2209  355.589   10.274 4.266296 12.01026 
1 1 1  -26    5   16 o  213.196   5.3935  308.080   15.225  306.216   19.522  310.972   24.323  212.419   6.7819  213.973   8.3883 -1.553314 10.78695 
1 1 1  -26    5   17 o  288.456   5.8145  553.852   21.883  525.716   27.158  605.937   36.950  278.297   7.2011  298.614   9.1311 -20.31671 11.62903 
1 1 1  -26    5   18 o  400.240   6.3906  1077.19   30.489  1064.95   35.402  1112.35   59.990  396.149   6.5945  404.330   10.949 -8.181305 12.78119 
1 1 1  -26    5   19 o  398.655   5.6137  1078.49   30.314  1103.80   43.661  1054.92   42.121  403.164   7.9916  394.147   7.8860 9.016296 11.22735 
1 1 1  -26    5   20 o  210.129   4.4869  299.752   12.767  295.283   18.337  303.957   17.786  208.602   6.4867  211.657   6.2011 -3.055283 8.973885 
1 1 1  -26    5   21 o  254.587   5.6415  436.244   18.241  451.387   32.224  429.103   22.128  257.711   9.2271  251.463   6.4937 6.247803 11.28303 
1 1 1  -26    5   22 o  185.172   5.4273  233.368   12.749  231.288   22.335  234.373   15.527  184.488   8.9339  185.856   6.1649 -1.367630 10.85451 
1 1 1  -26    5   23 o  422.717   8.2920  1216.94   47.493  1219.25   66.627  1214.56   67.716  423.143   11.619  422.290   11.833 0.8527527 16.58398 
1 1 1  -26    5   24 o  178.066   5.7398  210.569   13.009  201.950   15.728  229.234   23.146  172.495   6.7285  183.636   9.3010 -11.14139 11.47960 
1 1 1  -26    5   25 o  702.128   8.4129  3358.25   80.045  3371.87  113.726  3344.88  112.681  703.529   11.929  700.727   11.866 2.801514 16.82582 
1 1 1  -26    5   26 o  277.979   4.8546  524.603   18.284  513.806   25.875  535.371   25.840  275.117   6.9404  280.842   6.7897 -5.725464 9.709172 
1 1 1  -26    5   27 o  200.961   4.6065  274.258   12.537  266.437   17.855  281.865   17.609  198.126   6.6503  203.796   6.3760 -5.669937 9.213027 
1 1 1  -26    5   28 o  353.441   5.3456  847.992   25.596  863.434   36.749  833.444   35.671  356.560   7.6056  350.322   7.5138 6.237335 10.69122 
1 1 1  -26    5   29 o  184.873   4.6468  232.135   11.632  227.863   16.706  236.155   16.205  183.213   6.7286  186.533   6.4107 -3.319611 9.293644 
1 1 1  -26    5   30 o  190.917   6.2981  247.481   16.252  251.994   23.952  243.630   22.125  192.509   9.1813  189.326   8.6238 3.182632 12.59625 
1 1 1  -26    5   31 o  250.454   5.8025  423.013   18.500  435.656   32.496  416.951   22.502  253.081   9.4753  247.827   6.7004 5.254181 11.60502 
1 1 1  -26    5   32 o  207.835   4.6906  292.876   13.195  300.493   19.220  286.086   18.149  210.381   6.7414  205.289   6.5237 5.092285 9.381133 
1 1 1  -26    5   33 o  190.501   4.7259  246.155   12.183  250.597   17.770  242.215   16.735  192.113   6.8259  188.889   6.5380 3.223953 9.451856 
1 1 1  -26    5   34 f  390.468   6.9937  1040.73   34.660  1029.06   60.611  1046.41   42.249  388.525   11.512  392.412   7.9450 -3.886993 13.98743 
1 1 1  -26    5   35 o  186.175   5.8902  232.189   13.674  244.384   25.089  227.036   16.309  189.487   9.7705  182.863   6.5815 6.624573 11.78043 
1 1 1  -26    5   36 o  197.258   4.7443  264.247   12.671  263.647   18.285  264.801   17.576  197.033   6.8481  197.482   6.5677 -0.4490204 9.488510 
1 1 1  -26    5   37 o  302.508   5.0906  621.610   20.862  623.538   29.888  619.778   29.134  302.957   7.2800  302.060   7.1175 0.8972473 10.18123 
1 1 1  -26    5   38 o  349.995   5.3992  832.407   25.603  836.237   36.601  828.737   35.829  350.775   7.6998  349.216   7.5710 1.558990 10.79845 
1 1 1  -26    5   39 o  306.521   5.1438  637.990   21.358  652.389   30.733  624.541   29.703  309.859   7.3191  303.184   7.2296 6.674988 10.28767 
1 1 1  -26    5   40 o  363.897   6.9703  884.735   31.690  858.654   37.797  946.456   58.145  355.392   7.8482  372.403   11.522 -17.01151 13.94063 
1 1 1  -26    5   41 o  376.491   7.9792  963.839   40.709  963.839   40.709   0.0000   0.0000  376.491   7.9792  ?   ?       ?      ? 
1 1 1  -26    5   42 o  219.194   5.6801  325.942   16.298  323.643   20.514  329.878   26.839  218.251   6.9360  220.136   8.9970 -1.884796 11.36022 
1 1 1  -26    5   43 o  168.293   4.9646  192.628   11.298  189.802   16.456  195.147   15.540  167.107   7.2668  169.479   6.7663 -2.371765 9.929231 
1 1 1  -26    5   44 o  455.050   6.2435  1407.76   38.471  1459.59   55.772  1360.71   53.136  463.015   8.8886  447.084   8.7704 15.93063 12.48709 
1 1 1  -26    5   45 o  195.497   4.8739  259.279   12.898  269.186   18.791  250.453   17.736  199.016   6.9674  191.979   6.8172 7.037323 9.747770 
1 1 1  -26    5   46 o  217.784   4.8910  322.143   14.425  328.092   20.855  316.686   19.974  219.701   7.0049  215.866   6.8279 3.835571 9.782066 
1 1 1  -26    5   47 o  187.368   4.9038  238.860   12.439  230.863   17.774  246.537   17.415  184.276   7.1177  190.461   6.7473 -6.185379 9.807512 
1 1 1  -26    5   48 o  455.054   6.2624  1410.03   38.607  1435.04   55.397  1386.42   53.833  458.960   8.9069  451.147   8.8054 7.813049 12.52470 
1 1 1  -26    5   49 o  264.029   6.2421  478.801   20.873  463.940   36.453  486.051   25.461  260.690   10.319  267.367   7.0272 -6.676239 12.48423 
1 1 1  -26    5   50 o  185.846   6.2815  241.108   14.519  220.543   25.799  250.640   17.564  179.680   10.596  192.012   6.7502 -12.33226 12.56303 
1 1 1  -26    5   51 o  186.385   6.1095  235.460   14.389  240.143   25.569  233.290   17.407  187.550   10.060  185.221   6.9350 2.329147 12.21900 
1 1 1  -26    5   52 o  332.442   5.4113  752.339   24.370  728.507   34.414  776.312   34.515  327.139   7.7628  337.746   7.5411 -10.60696 10.82256 
1 1 1  -26    5   53 o  104.863   6.0868   75.259   8.6087   70.719   12.552   79.292   11.829  101.828   9.0964  107.897   8.0902 -6.069176 12.17358 
1 1 1  -26    5   54 o  144.227   5.5045  141.089   10.737  151.647   15.778  131.981   14.654  149.232   7.8018  139.223   7.7674 10.00935 11.00909 
1 1 1  -26    5   55 o  121.868   5.7891  100.685   9.5355  108.902   14.111   93.779   12.936  126.416   8.2370  117.319   8.1368 9.097115 11.57821 
1 1 1  -26    5   56 o  169.709   5.2514  196.007   12.036  175.039   16.766  218.310   17.291  160.314   7.7173  179.104   7.1241 -18.79033 10.50283 
1 1 1  -26    5   57 o  221.811   6.3223  332.083   17.748  325.651   21.450  346.044   31.602  218.716   7.2370  224.906   10.369 -6.190643 12.64463 
1 1 1  -26    5   58 o  115.871   5.9182   92.567   9.1652   75.929   13.074  108.642   12.851  105.447   9.1496  126.294   7.5091 -20.84641 11.83650 
1 1 1  -26    5   59 o  458.750   6.3772  1437.29   39.642  1437.12   56.392  1437.45   55.738  458.702   9.0720  458.798   8.9650 -0.9616089E-01 12.75430 
1 1 1  -26    5   60 o  280.617   5.2448  536.644   19.941  531.019   28.355  542.149   28.050  279.145   7.4959  282.089   7.3378 -2.944122 10.48956 
1 1 1  -26    5   61 o  252.732   6.1026  436.414   20.093  436.769   25.178  435.789   33.343  253.154   7.3392  252.309   9.7520 0.8445129 12.20512 
1 1 1  -26    5   62 o  193.185   5.9935  251.418   15.123  242.167   18.852  268.117   25.329  188.461   7.3818  197.910   9.4443 -9.448273 11.98695 
1 1 1  -26    5   63 o  310.228   5.3779  656.108   22.597  677.098   32.601  636.699   31.350  314.990   7.6375  305.467   7.5734 9.523071 10.75581 
1 1 1  -26    5   64 o   81.634   7.3104   46.196   8.0127   41.190   11.695   50.625   11.000   77.335   11.160   85.933   9.4463 -8.597984 14.62082 
1 1 1  -26    5   65 o  129.554   5.6001  115.231   9.7866  104.562   14.015  125.385   13.672  123.609   8.3667  135.498   7.4460 -11.88898 11.20026 
1 1 1  -26    5   66 o  222.163   6.1114  330.678   17.296  360.548   30.707  316.796   20.933  228.951   9.8973  215.374   7.1722 13.57645 12.22280 
1 1 1  -26    5   67 o  109.007   6.1432   81.927   9.0291   75.056   13.036   88.262   12.518  104.510   9.2048  113.505   8.1381 -8.995239 12.28648 
1 1 1  -26    5   68 o  126.488   7.5336  113.774   11.555  103.330   21.326  118.115   13.748  121.655   12.936  131.320   7.7256 -9.665237 15.06715 
1 1 1  -26    5   69 o  418.828   6.1497  1206.32   34.902  1208.39   49.603  1204.30   49.119  419.157   8.7327  418.499   8.6611 0.6579895 12.29934 
1 1 1  -26    5   70 o  227.529   5.1523  355.025   15.875  343.314   22.602  366.426   22.301  223.763   7.4539  231.294   7.1150 -7.530853 10.30460 
1 1 1  -26    5   71 f  205.378   6.4682  288.247   16.799  282.709   20.303  300.271   29.914  202.973   7.3813  207.783   10.624 -4.809937 12.93635 
1 1 1  -26    5   72 o  218.117   6.4744  329.184   17.882  329.060   21.741  329.444   31.441  218.876   7.3300  217.359   10.674 1.516830 12.94881 
1 1 1  -26    5   73 o  139.594   5.4205  134.283   10.246  131.509   14.679  136.920   14.309  138.135   7.8416  141.054   7.4857 -2.918762 10.84095 
1 1 1  -26    5   74 o  117.842   5.7007   95.924   9.1018   97.823   13.026   94.112   12.723  118.976   8.0792  116.707   8.0448 2.269249 11.40138 
1 1 1  -26    5   75 o  159.092   5.1827  174.494   11.170  177.389   16.035  171.764   15.569  160.355   7.3792  157.829   7.2795 2.525223 10.36550 
1 1 1  -26    5   76 o   61.450   8.7900   27.894   7.0611   26.929   10.201   28.783   9.7836   60.237   12.887   62.662   11.958 -2.424240 17.58003 
1 1 1  -26    5   77 o  100.677   7.0074   70.416   9.3472   67.074   11.907   75.782   15.089   97.946   8.9708  103.409   10.768 -5.462654 14.01484 
1 1 1  -26    5   78 o  171.003   6.0108  202.673   13.423  198.251   16.798  210.483   22.324  169.106   7.3303  172.900   9.5281 -3.794205 12.02152 
1 1 1  -26    5   79 o  129.017   7.2945  118.106   12.737  125.971   18.544  111.083   17.524  133.093   10.282  124.941   10.350 8.151215 14.58898 
1 1 1  -26    5   80 o   88.504   8.5113   57.163   10.160   54.480   14.852   59.523   13.928   86.193   12.716   90.814   11.317 -4.620979 17.02269 
1 1 1  -26    5   81 o  107.679   7.9023   83.236   11.455   97.671   16.993   71.215   15.507  116.409   10.772   98.949   11.565 17.45960 15.80466 
1 1 1  -26    5   82 o   98.352   11.790   70.903   15.714   0.0000   0.0000   70.903   15.714  ?   ?    98.352   11.790      ?      ? 
1 1 1  -26    6    1 o  491.570   9.1591  1643.11   61.013  1643.11   61.013   0.0000   0.0000  491.570   9.1591  ?   ?       ?      ? 
1 1 1  -26    6    2 o  253.814   5.3487  437.022   18.397  437.022   18.397   0.0000   0.0000  253.814   5.3487  ?   ?       ?      ? 
1 1 1  -26    6    3 o  288.350   5.3259  571.288   18.661  579.879   22.060  549.676   34.989  292.358   5.5680  284.341   9.0806 8.016632 10.65173 
1 1 1  -26    6    4 o  230.274   4.8873  358.203   13.797  355.827   16.314  364.172   25.855  229.033   5.2562  231.514   8.2411 -2.480743 9.774664 
1 1 1  -26    6    5 o  395.076   6.2843  1073.30   29.917  1088.43   35.180  1033.77   56.864  400.457   6.4827  389.694   10.768 10.76294 12.56867 
1 1 1  -26    6    6 o   78.371   6.6182   41.689   7.0287   41.689   7.0287   0.0000   0.0000   78.371   6.6182  ?   ?       ?      ? 
1 1 1  -26    6    7 o  341.036   5.7753  790.219   23.717  790.326   27.776  789.929   45.564  341.285   6.0058  340.787   9.8664 0.4980469 11.55053 
1 1 1  -26    6    8 o  256.949   5.1013  444.773   15.986  440.328   18.823  456.276   30.282  254.776   5.4519  259.122   8.6238 -4.346069 10.20262 
1 1 1  -26    6    9 o  242.287   5.0702  400.620   15.033  403.413   17.814  393.711   28.016  243.867   5.3906  240.707   8.5889 3.160095 10.14036 
1 1 1  -26    6   10 o  411.281   6.8582  1146.99   36.445  1139.38   45.114  1161.29   61.836  409.545   8.1288  413.016   11.048 -3.470734 13.71644 
1 1 1  -26    6   11 o  304.481   5.8857  633.418   23.370  643.320   29.428  616.510   38.454  307.836   7.0544  301.126   9.4236 6.709625 11.77149 
1 1 1  -26    6   12 o  288.472   5.7509  565.625   21.653  566.552   27.198  564.021   35.782  288.894   6.9472  288.050   9.1667 0.8447266 11.50186 
1 1 1  -26    6   13 o  359.225   6.3843  880.965   29.841  891.200   37.429  863.109   49.438  362.263   7.6244  356.188   10.242 6.075653 12.76855 
1 1 1  -26    6   14 o  291.684   5.7806  577.584   22.010  576.559   27.629  579.365   36.413  291.431   6.9960  291.938   9.2042 -0.5070496 11.56116 
1 1 1  -26    6   15 o  307.553   5.9179  642.067   23.722  640.551   29.712  644.733   39.398  307.166   7.1380  307.940   9.4411 -0.7741394 11.83575 
1 1 1  -26    6   16 o  403.950   6.8295  1110.15   35.745  1111.41   44.477  1107.85   60.067  404.489   8.1142  403.411   10.988 1.077850 13.65909 
1 1 1  -26    6   17 o  253.123   5.6418  438.029   18.847  448.204   24.214  422.391   30.019  256.952   6.9539  249.294   8.8860 7.657516 11.28351 
1 1 1  -26    6   18 o  250.259   5.5633  421.333   18.362  408.434   23.253  442.697   29.926  245.283   6.9956  255.234   8.6522 -9.951385 11.12653 
1 1 1  -26    6   19 o  346.607   5.8574  798.039   24.334  778.119   28.253  855.271   47.889  338.627   6.1569  354.588   9.9663 -15.96121 11.71472 
1 1 1  -26    6   20 o   73.541   6.2935   36.554   6.0798   35.936   7.6738   37.595   9.9643   72.739   7.7850   74.343   9.8906 -1.604469 12.58696 
1 1 1  -26    6   21 o  408.907   5.7202  1135.93   31.695  1133.69   45.037  1138.13   44.613  408.501   8.1357  409.313   8.0432 -0.8119202 11.44034 
1 1 1  -26    6   22 o  229.342   4.6018  357.094   14.297  352.753   20.411  361.276   20.032  227.967   6.6071  230.717   6.4072 -2.749847 9.203600 
1 1 1  -26    6   23 o  289.070   6.1380  568.484   22.558  569.509   27.514  566.383   39.401  289.624   7.0103  288.517   10.077 1.106995 12.27595 
1 1 1  -26    6   24 o  263.103   6.0130  471.161   20.093  472.497   24.490  468.410   35.146  263.814   6.8504  262.392   9.8842 1.421234 12.02600 
1 1 1  -26    6   25 o  499.963   7.9306  1720.87   51.391  1767.87   64.428  1638.66   85.210  509.858   9.3248  490.068   12.831 19.79047 15.86126 
1 1 1  -26    6   26 o  360.881   7.4837  886.482   36.579  892.852   52.688  880.555   50.822  362.107   10.737  359.655   10.428 2.451843 14.96741 
1 1 1  -26    6   27 o  307.937   5.0619  642.419   21.095  673.871   30.821  614.703   28.933  315.004   7.2203  300.869   7.0963 14.13519 10.12371 
1 1 1  -26    6   28 o  190.351   4.6198  245.720   11.904  251.238   17.308  240.766   16.399  192.371   6.6394  188.331   6.4257 4.040100 9.239646 
1 1 1  -26    6   29 o  270.497   4.8516  496.855   17.775  495.942   25.523  497.715   24.770  270.246   6.9693  270.747   6.7513 -0.5010986 9.703133 
1 1 1  -26    6   30 o  494.741   6.4944  1663.94   43.525  1701.75   62.617  1628.59   60.543  500.165   9.2384  489.318   9.1303 10.84726 12.98889 
1 1 1  -26    6   31 o  142.915   4.8313  138.441   9.3353  142.294   13.748  135.145   12.716  144.748   7.0090  141.081   6.6512 3.666870 9.662562 
1 1 1  -26    6   32 o  225.077   4.7102  343.470   14.349  354.195   20.917  333.936   19.722  228.384   6.7586  221.770   6.5623 6.613342 9.420316 
1 1 1  -26    6   33 o  232.992   4.7277  368.525   14.915  371.317   21.557  365.961   20.659  233.829   6.8032  232.155   6.5666 1.674500 9.455384 
1 1 1  -26    6   34 o  228.978   5.9096  355.379   16.946  359.487   30.560  353.555   20.364  229.778   9.8142  228.179   6.5858 1.598969 11.81915 
1 1 1  -26    6   35 f  159.881   5.9548  170.651   11.846  181.864   21.879  166.001   14.091  163.418   9.8796  156.344   6.6507 7.074203 11.90956 
1 1 1  -26    6   36 o  415.276   5.8669  1171.39   32.994  1210.89   47.738  1135.27   45.654  421.962   8.3485  408.591   8.2453 13.37057 11.73382 
1 1 1  -26    6   37 o  332.337   6.3251  749.984   27.260  746.000   33.902  757.271   45.851  331.298   7.5512  333.375   10.149 -2.076996 12.65029 
1 1 1  -26    6   38 o  292.427   6.0431  582.711   22.999  585.161   28.801  578.398   38.209  293.444   7.2427  291.409   9.6757 2.034698 12.08615 
1 1 1  -26    6   39 o  333.341   6.3252  744.523   27.212  718.967   33.429  794.713   46.848  325.209   7.5854  341.472   10.124 -16.26337 12.65048 
1 1 1  -26    6   40 o  409.056   7.2876  1144.80   38.014  1152.70   46.568  1129.03   65.812  411.615   8.3486  406.496   11.947 5.118866 14.57512 
1 1 1  -26    6   41 o  407.886   7.2611  1130.78   37.642  1123.87   45.816  1145.14   66.032  406.419   8.3188  409.353   11.903 -2.934265 14.52222 
1 1 1  -26    6   42 o  146.426   5.0207  145.703   9.9469  146.222   14.489  145.240   13.680  146.661   7.2901  146.192   6.9053 0.4686584 10.04132 
1 1 1  -26    6   43 o   85.488   6.4853   50.556   7.3935   42.075   10.764   58.129   10.173   78.546   10.113   92.429   8.1217 -13.88310 12.97050 
1 1 1  -26    6   44 o  174.254   4.9071  206.430   11.572  205.603   16.790  207.178   15.971  173.907   7.1244  174.601   6.7499 -0.6943054 9.814144 
1 1 1  -26    6   45 o  248.435   4.9428  419.567   16.631  419.803   23.927  419.347   23.133  248.489   7.1057  248.382   6.8727 0.1077118 9.885604 
1 1 1  -26    6   46 o  128.786   6.6330  114.322   10.636  109.837   19.118  116.332   12.800  126.777   11.128  130.794   7.2217 -4.017326 13.26603 
1 1 1  -26    6   47 o  315.496   6.4536  668.075   25.695  706.837   46.166  650.679   30.928  321.702   10.590  309.290   7.3790 12.41235 12.90710 
1 1 1  -26    6   48 o  104.083   5.9784   73.840   8.3894   73.257   12.484   74.320   11.329  103.680   8.8855  104.487   8.0009 -0.8067017 11.95684 
1 1 1  -26    6   49 o  138.299   5.3114  130.941   9.8929  118.255   14.295  142.601   13.705  131.792   8.0043  144.807   6.9840 -13.01518 10.62283 
1 1 1  -26    6   50 f  173.637   6.3628  213.588   13.788  183.904   23.914  228.369   16.875  164.014   10.759  183.260   6.7952 -19.24556 12.72557 
1 1 1  -26    6   51 o  196.157   6.1735  261.900   15.263  263.375   27.155  261.218   18.455  196.344   10.206  195.971   6.9492 0.3729553 12.34699 
1 1 1  -26    6   52 o  234.799   5.1278  375.446   16.293  352.076   23.006  398.961   23.078  227.434   7.4647  242.165   7.0324 -14.73189 10.25553 
1 1 1  -26    6   53 o  186.868   5.1205  237.993   12.944  230.233   18.671  245.176   17.962  183.901   7.4919  189.834   6.9822 -5.932724 10.24109 
1 1 1  -26    6   54 o  166.375   5.1646  188.127   11.631  194.233   16.952  182.697   15.987  168.910   7.4059  163.839   7.2005 5.071701 10.32929 
1 1 1  -26    6   55 o  344.921   5.5269  810.179   25.821  820.790   37.184  800.296   35.885  347.080   7.9058  342.763   7.7256 4.317719 11.05378 
1 1 1  -26    6   56 o  135.285   7.0049  126.106   12.096  128.104   14.869  122.196   20.798  137.094   8.0037  133.477   11.498 3.617477 14.00983 
1 1 1  -26    6   57 o  171.746   6.3952  194.203   13.976  181.574   16.817  222.389   25.124  163.245   7.6022  180.248   10.286 -17.00262 12.79035 
1 1 1  -26    6   58 o   58.760   9.1418   24.923   7.2971   16.401   10.585   32.640   10.073   48.518   14.773   69.002   10.772 -20.48464 18.28366 
1 1 1  -26    6   59 o   58.927   9.4190   24.895   7.3446   24.919   10.421   24.871   10.353   58.951   13.355   58.902   13.286 0.4894257E-01 18.83804 
1 1 1  -26    6   60 o  175.218   6.0963  212.152   13.984  219.661   17.809  200.075   22.584  179.511   7.3210  170.924   9.7501 8.586945 12.19266 
1 1 1  -26    6   61 o  178.518   5.1956  217.949   12.524  198.194   17.796  237.338   17.630  170.422   7.7056  186.614   6.9714 -16.19183 10.39120 
1 1 1  -26    6   62 o  219.283   5.0636  328.127   15.038  321.573   21.507  334.396   21.034  217.110   7.3099  221.457   7.0090 -4.347015 10.12723 
1 1 1  -26    6   63 o  228.809   5.1007  357.311   15.805  356.332   22.746  358.226   21.978  228.475   7.3465  229.142   7.0779 -0.6672668 10.20136 
1 1 1  -26    6   64 o  221.844   5.1063  336.466   15.331  320.915   21.853  351.539   21.514  216.737   7.4404  226.951   6.9954 -10.21358 10.21255 
1 1 1  -26    6   65 o   35.528   10.247   2.7074   7.2863   8.0133   13.191   0.3775   8.7408   41.589   16.218   29.467   12.528 12.12158 20.49323 
1 1 1  -26    6   66 o  147.280   7.3404  148.354   14.650   0.0000   0.0000  148.354   14.650  ?   ?   147.280   7.3404      ?      ? 
1 1 1  -26    6   67 o  133.766   7.5389  133.749   11.949  101.780   21.651  147.752   14.329  120.579   13.250  146.953   7.1955 -26.37331 15.07782 
1 1 1  -26    6   68 o   92.176   6.6676   58.262   8.3024   64.610   12.279   52.916   11.269   96.784   9.3622   87.567   9.4961 9.217812 13.33516 
1 1 1  -26    6   69 o   98.457   6.3590   67.514   8.3935   57.993   12.102   76.338   11.651   91.549   9.7551  105.365   8.1598 -13.81564 12.71790 
1 1 1  -26    6   70 o  176.912   5.1797  214.890   12.413  208.423   17.583  221.315   17.527  174.219   7.4474  179.604   7.2011 -5.384720 10.35950 
1 1 1  -26    6   71 o   68.645   10.632   34.016   9.0651   32.422   10.917   37.558   16.269   66.839   12.513   70.450   17.193 -3.610878 21.26385 
1 1 1  -26    6   72 o   82.323   7.0447   47.128   7.8177   54.030   11.339   40.874   10.793   88.162   9.4909   76.484   10.413 11.67760 14.08950 
1 1 1  -26    6   73 o  158.656   5.2646  173.284   11.310  179.937   16.384  167.226   15.633  161.547   7.4840  155.764   7.4063 5.782532 10.52919 
1 1 1  -26    6   74 o  129.696   5.5461  116.602   9.7227  107.874   13.812  125.175   13.689  124.762   8.1693  134.630   7.5032 -9.868004 11.09215 
1 1 1  -26    6   75 o  159.261   5.1891  175.142   11.194  180.946   16.131  169.750   15.546  161.796   7.3572  156.726   7.3199 5.069977 10.37829 
1 1 1  -26    6   76 o  143.634   6.1813  143.503   11.563  141.910   14.456  146.332   19.266  143.120   7.4536  144.148   9.8630 -1.027374 12.36264 
1 1 1  -26    6   77 o   62.087   9.5163   29.698   7.7572   33.280   9.9488   24.145   12.389   68.371   10.738   55.804   15.714 12.56721 19.03265 
1 1 1  -26    6   78 o   78.374   9.4142   45.651   9.7664   45.354   14.235   45.915   13.424   77.324   14.105   79.424   12.473 -2.099365 18.82845 
1 1 1  -26    6   79 o  135.100   7.2940  130.608   13.333  127.335   19.235  133.635   18.497  133.234   10.654  136.966   9.9656 -3.731644 14.58808 
1 1 1  -26    6   80 o  129.625   7.4986  119.338   13.040  145.530   19.611   98.580   17.459  142.523   10.154  116.727   11.037 25.79537 14.99720 
1 1 1  -26    6   81 o  150.068   9.8048  161.315   19.939   0.0000   0.0000  161.315   19.939  ?   ?   150.068   9.8048      ?      ? 
1 1 1  -26    6   82 o  123.812   10.334  110.868   17.338   0.0000   0.0000  110.868   17.338  ?   ?   123.812   10.334      ?      ? 
1 1 1  -26    7    1 o  208.238   5.1617  295.892   14.345  302.670   18.846  286.556   22.119  211.135   6.5869  205.342   7.9490 5.793442 10.32345 
1 1 1  -26    7    2 o  182.453   7.6648  226.178   18.951   0.0000   0.0000  226.178   18.951  ?   ?   182.453   7.6648      ?      ? 
1 1 1  -26    7    3 o  154.858   4.4211  157.509   8.6540  148.898   10.368  177.293   15.715  148.149   5.1642  161.566   7.1774 -13.41736 8.842217 
1 1 1  -26    7    4 o  308.906   5.3915  630.834   20.073  611.174   23.350  686.519   39.296  300.108   5.7415  317.704   9.1274 -17.59543 10.78304 
1 1 1  -26    7    5 o  239.181   4.8845  378.353   14.338  365.383   16.858  412.266   27.258  232.068   5.3605  246.295   8.1670 -14.22755 9.769054 
1 1 1  -26    7    6 o  322.769   7.3885  707.622   32.317  707.622   32.317   0.0000   0.0000  322.769   7.3885  ?   ?       ?      ? 
1 1 1  -26    7    7 o  299.610   5.7279  609.117   23.256  609.117   23.256   0.0000   0.0000  299.610   5.7279  ?   ?       ?      ? 
1 1 1  -26    7    8 o  214.257   5.2832  311.428   15.339  311.428   15.339   0.0000   0.0000  214.257   5.2832  ?   ?       ?      ? 
1 1 1  -26    7    9 o  232.067   5.2054  357.839   15.757  338.156   19.535  394.495   26.659  223.194   6.4588  240.939   8.1650 -17.74480 10.41072 
1 1 1  -26    7   10 o  205.818   4.8942  288.857   12.442  290.644   14.836  284.623   22.841  206.984   5.2894  204.651   8.2362 2.333817 9.788402 
1 1 1  -26    7   11 o  141.116   4.7128  130.428   8.4173  122.590   10.086  148.416   15.279  134.419   5.5369  147.813   7.6279 -13.39375 9.425617 
1 1 1  -26    7   12 o  156.133   4.8449  166.099   9.4774  167.067   11.423  163.963   16.976  156.926   5.3717  155.339   8.0645 1.587067 9.689746 
1 1 1  -26    7   13 o  475.643   7.1218  1536.69   40.473  1533.33   47.166  1546.06   78.818  475.154   7.3251  476.132   12.216 -0.9777832 14.24352 
1 1 1  -26    7   14 o  155.092   4.9476  167.709   9.6127  175.585   11.718  151.501   16.810  160.877   5.3748  149.306   8.3082 11.57028 9.895212 
1 1 1  -26    7   15 o  137.183   4.9193  129.525   8.5809  133.015   10.537  122.651   14.786  140.017   5.5532  134.349   8.1216 5.668335 9.838627 
1 1 1  -26    7   16 o  208.454   4.9586  295.944   12.819  297.269   15.324  292.855   23.395  209.325   5.4022  207.583   8.3166 1.741776 9.917158 
1 1 1  -26    7   17 o  225.242   5.4680  343.633   16.385  339.360   21.176  350.006   25.863  223.556   6.9901  226.927   8.4103 -3.370422 10.93594 
1 1 1  -26    7   18 o  217.791   5.5125  325.961   15.968  344.539   21.037  300.705   24.527  225.261   6.8914  210.321   8.6057 14.94008 11.02494 
1 1 1  -26    7   19 o  314.994   5.6449  671.610   21.608  668.365   25.416  680.071   41.037  313.823   5.9765  316.165   9.5782 -2.342041 11.28981 
1 1 1  -26    7   20 o  333.094   5.8489  762.003   23.762  772.578   28.150  735.792   44.318  337.384   6.1571  328.804   9.9463 8.580322 11.69780 
1 1 1  -26    7   21 o  251.657   6.4045  430.952   21.810  425.838   31.597  435.605   30.142  250.202   9.3190  253.111   8.7879 -2.908127 12.80902 
1 1 1  -26    7   22 o  319.095   6.1253  697.213   25.595  712.175   32.470  672.659   41.595  323.797   7.4000  314.394   9.7630 9.402740 12.25054 
1 1 1  -26    7   23 o  150.150   5.7311  152.991   11.661  152.991   11.661   0.0000   0.0000  150.150   5.7311  ?   ?       ?      ? 
1 1 1  -26    7   24 o  187.325   5.9153  245.573   14.029  260.072   17.321  217.921   23.920  195.720   6.5305  178.930   9.8649 16.79027 11.83059 
1 1 1  -26    7   25 o  215.579   4.6114  315.870   13.454  307.305   19.362  323.866   18.708  212.737   6.7164  218.421   6.3206 -5.683807 9.222771 
1 1 1  -26    7   26 o  207.045   4.5958  290.211   12.873  305.495   18.889  276.957   17.591  212.116   6.5713  201.975   6.4269 10.14116 9.191660 
1 1 1  -26    7   27 o  322.385   5.1378  706.112   22.438  702.875   32.112  709.201   31.366  321.651   7.3671  323.119   7.1632 -1.467712 10.27550 
1 1 1  -26    7   28 o  170.822   4.6239  197.180   10.674  211.163   15.832  185.527   14.453  176.343   6.6253  165.301   6.4519 11.04131 9.247785 
1 1 1  -26    7   29 f  340.171   5.2644  786.126   24.259  791.153   34.824  781.386   33.814  341.216   7.5312  339.126   7.3579 2.090668 10.52890 
1 1 1  -26    7   30 o  187.885   4.6470  238.997   11.809  251.266   17.367  228.445   16.105  192.350   6.6628  183.419   6.4795 8.931458 9.293917 
1 1 1  -26    7   31 o  419.790   5.8741  1197.82   33.404  1218.42   48.021  1178.51   46.498  423.273   8.3719  416.307   8.2421 6.966309 11.74827 
1 1 1  -26    7   32 o  344.122   5.3559  804.837   24.973  805.768   35.601  803.935   35.040  344.310   7.6302  343.934   7.5181 0.3762512 10.71176 
1 1 1  -26    7   33 o  425.943   7.1943  1248.86   39.787  1282.30   49.980  1191.02   65.739  434.170   8.4948  417.717   11.613 16.45322 14.38856 
1 1 1  -26    7   34 o  307.671   7.1750  645.639   29.838  637.136   43.640  653.104   40.888  305.699   10.534  309.644   9.7443 -3.945099 14.35005 
1 1 1  -26    7   35 o  584.194   7.3668  2326.67   58.318  2300.47   82.147  2353.28   82.805  580.873   10.436  587.515   10.401 -6.641418 14.73357 
1 1 1  -26    7   36 o  427.563   5.9804  1243.25   34.639  1265.72   49.789  1222.18   48.222  431.291   8.5188  423.834   8.3959 7.456390 11.96076 
1 1 1  -26    7   37 o  316.403   5.1825  679.998   22.208  694.261   32.088  666.887   30.766  319.574   7.4095  313.233   7.2481 6.341339 10.36510 
1 1 1  -26    7   38 o  260.821   4.9202  461.453   17.368  478.464   25.356  446.418   23.838  265.330   7.0520  256.311   6.8630 9.018829 9.840316 
1 1 1  -26    7   39 o  425.203   5.9879  1229.60   34.483  1257.19   49.801  1204.19   47.793  429.763   8.5512  420.643   8.3843 9.119843 11.97578 
1 1 1  -26    7   40 o  200.954   6.0323  267.398   15.369  254.604   18.488  296.005   27.646  193.536   7.0494  208.371   9.7908 -14.83444 12.06461 
1 1 1  -26    7   41 o  227.020   4.8436  350.420   14.892  345.703   21.340  354.899   20.793  225.516   6.9828  228.523   6.7143 -3.007324 9.687128 
1 1 1  -26    7   42 o  222.420   4.8401  335.961   14.569  341.725   21.240  330.839   20.021  224.205   6.9907  220.635   6.6961 3.570007 9.680279 
1 1 1  -26    7   43 f  129.341   6.5286  115.094   10.469  111.329   18.994  116.737   12.546  127.649   10.980  131.032   7.0657 -3.382622 13.05730 
1 1 1  -26    7   44 o  109.743   6.9641   81.750   9.5217   83.229   17.350   81.113   11.390  110.304   11.607  109.183   7.6982 1.120956 13.92823 
1 1 1  -26    7   45 o  248.245   4.9657  419.200   16.686  415.883   24.123  422.243   23.105  247.280   7.1989  249.209   6.8417 -1.929169 9.931402 
1 1 1  -26    7   46 o  248.485   4.9677  420.122   16.717  412.466   23.936  427.413   23.357  246.254   7.1727  250.715   6.8748 -4.461227 9.935316 
1 1 1  -26    7   47 o  321.476   5.3166  702.559   23.146  722.453   33.492  684.370   32.024  325.815   7.5856  317.136   7.4515 8.679260 10.63325 
1 1 1  -26    7   48 o  144.876   5.2057  143.144   10.184  138.477   14.903  147.232   13.948  142.626   7.7107  147.126   6.9958 -4.499924 10.41138 
1 1 1  -26    7   49 o   67.142   11.079   30.848   10.080   0.0000   0.0000   30.848   10.080  ?   ?    67.142   11.079      ?      ? 
1 1 1  -26    7   50 o  188.769   6.2406  243.001   14.875  243.000   26.336  243.001   18.026  188.548   10.307  188.990   7.0385 -0.4413452 12.48115 
1 1 1  -26    7   51 o  266.001   5.1318  481.914   18.484  469.643   26.438  493.648   25.853  262.659   7.4278  269.345   7.0831 -6.686066 10.26364 
1 1 1  -26    7   52 o  396.326   5.8555  1069.53   31.427  1101.34   45.473  1040.44   43.484  401.942   8.3485  390.711   8.2128 11.23126 11.71097 
1 1 1  -26    7   53 f  359.927   5.6103  882.827   27.358  879.537   39.069  885.992   38.322  359.245   8.0252  360.608   7.8421 -1.362762 11.22067 
1 1 1  -26    7   54 o  208.861   5.0404  297.399   14.243  279.767   20.238  314.703   20.048  202.685   7.3681  215.037   6.8799 -12.35274 10.08078 
1 1 1  -26    7   55 o  197.530   6.2732  261.804   15.795  253.266   19.162  279.903   27.899  192.831   7.3330  202.229   10.180 -9.398590 12.54634 
1 1 1  -26    7   56 o  118.683   7.4333   96.293   11.145   95.899   13.501   97.135   19.746  118.542   8.4042  118.824   12.263 -0.2824631 14.86654 
1 1 1  -26    7   57 o  226.540   6.0193  350.071   17.801  349.086   22.346  351.780   29.447  226.338   7.2856  226.742   9.5836 -0.4036407 12.03851 
1 1 1  -26    7   58 f  202.531   6.0519  281.948   16.108  287.558   20.539  272.987   25.960  205.377   7.3798  199.684   9.5937 5.692673 12.10375 
1 1 1  -26    7   59 o  173.226   5.1836  204.795   12.155  200.572   17.500  208.731   16.894  171.469   7.5314  174.984   7.1244 -3.515015 10.36723 
1 1 1  -26    7   60 o  155.208   5.3763  165.594   11.220  145.111   16.101  184.933   15.645  145.725   8.1534  164.691   7.0101 -18.96590 10.75266 
1 1 1  -26    7   61 o  156.254   5.2821  166.898   11.165  162.672   16.147  170.770   15.456  154.316   7.7215  158.192   7.2097 -3.876450 10.56415 
1 1 1  -26    7   62 o  181.775   5.1341  225.185   12.630  233.962   18.451  217.446   17.325  185.083   7.3565  178.467   7.1637 6.615646 10.26826 
1 1 1  -26    7   63 o  179.150   5.1733  218.794   12.542  229.242   18.339  209.613   17.191  183.143   7.3892  175.157   7.2424 7.986618 10.34660 
1 1 1  -26    7   64 o   90.965   10.119   67.076   10.020   43.465   18.925   76.274   11.812   76.448   18.474  105.483   8.2633 -29.03453 20.23745 
1 1 1  -26    7   65 o  226.691   7.0988  351.449   21.807   0.0000   0.0000  351.449   21.807  ?   ?   226.691   7.0988      ?      ? 
1 1 1  -26    7   66 o  199.299   5.1978  272.604   13.997  249.326   19.824  295.745   19.766  190.702   7.6711  207.896   7.0159 -17.19342 10.39557 
1 1 1  -26    7   67 o  137.529   5.5336  130.532   10.258  118.868   14.796  141.326   14.234  131.469   8.3050  143.589   7.3151 -12.12047 11.06729 
1 1 1  -26    7   68 o  115.049   5.8480   91.161   9.1014   90.620   13.246   91.644   12.527  114.668   8.5243  115.429   8.0083 -0.7602081 11.69605 
1 1 1  -26    7   69 o  181.755   5.1539  227.484   12.659  212.315   18.130  241.913   17.683  175.716   7.6139  187.795   6.9483 -12.07870 10.30783 
1 1 1  -26    7   70 o  186.411   6.4246  237.928   15.282  232.259   18.607  249.675   26.784  183.719   7.4739  189.103   10.452 -5.383438 12.84928 
1 1 1  -26    7   71 o  104.548   6.1538   75.668   8.7130   78.526   12.595   73.046   12.066  106.430   8.7327  102.665   8.6729 3.765076 12.30770 
1 1 1  -26    7   72 o  189.110   5.1629  246.673   13.225  242.031   18.867  251.158   18.543  187.300   7.4333  190.919   7.1672 -3.618988 10.32579 
1 1 1  -26    7   73 o  144.088   5.3996  144.044   10.433  118.941   14.563  170.514   14.954  130.921   8.2084  157.255   7.0174 -26.33397 10.79911 
1 1 1  -26    7   74 o  135.678   6.3554  128.906   11.327  129.746   14.399  127.541   18.348  136.783   7.7679  134.574   10.061 2.209045 12.71084 
1 1 1  -26    7   75 f   68.192   9.1760   34.531   8.0980   35.587   10.447   32.940   12.818   70.721   10.901   65.664   14.764 5.057182 18.35208 
1 1 1  -26    7   76 o   48.963   10.208   18.402   7.2482   20.055   9.4941   16.093   11.222   51.372   13.472   46.553   15.341 4.819283 20.41609 
1 1 1  -26    7   77 o   74.894   8.7552   42.757   8.3076   48.497   10.876   34.718   12.872   82.695   9.7053   67.092   14.575 15.60323 17.51040 
1 1 1  -26    7   78 o   96.491   8.2084   67.507   10.704   69.241   15.804   66.038   14.548   97.428   11.970   95.554   11.235 1.874557 16.41686 
1 1 1  -26    7   79 o   96.573   8.3927   69.374   10.702   53.643   15.334   84.316   14.944   84.758   13.350  108.387   10.175 -23.62861 16.78541 
1 1 1  -26    7   80 o   82.496   12.059   50.198   13.481   0.0000   0.0000   50.198   13.481  ?   ?    82.496   12.059      ?      ? 
1 1 1  -26    7   81 o   46.223   15.219   16.680   11.045   0.0000   0.0000   16.680   11.045  ?   ?    46.223   15.219      ?      ? 
1 1 1  -26    8    1 o  448.822   6.6841  1324.88   35.367  1279.65   40.618  1466.65   71.913  434.023   6.9060  463.621   11.446 -29.59827 13.36818 
1 1 1  -26    8    2 o  428.417   6.5609  1256.07   33.890  1264.28   39.791  1234.37   64.674  431.431   6.8060  425.403   11.219 6.027863 13.12189 
1 1 1  -26    8    3 o  315.489   5.9789  685.029   24.934  717.587   32.357  637.434   39.121  324.972   7.3475  306.005   9.4342 18.96710 11.95780 
1 1 1  -26    8    4 o  411.252   6.3403  1122.87   31.030  1093.76   35.880  1209.29   61.809  401.322   6.5974  421.182   10.829 -19.86008 12.68065 
1 1 1  -26    8    5 o  173.574   4.4823  196.444   9.8471  183.192   11.784  227.119   17.928  164.310   5.2923  182.838   7.2357 -18.52811 8.964524 
1 1 1  -26    8    6 o  207.017   4.8282  297.314   12.474  307.866   15.109  274.727   22.106  213.010   5.2341  201.023   8.1148 11.98740 9.656363 
1 1 1  -26    8    7 o   90.566   5.5353   59.379   6.3096   68.767   8.0147   44.078   10.232  100.655   5.8759   80.476   9.3827 20.17855 11.07069 
1 1 1  -26    8    8 o  317.138   5.8962  682.666   25.340  682.666   25.340   0.0000   0.0000  317.138   5.8962  ?   ?       ?      ? 
1 1 1  -26    8    9 o  339.404   5.7031  761.939   23.296  738.341   27.077  829.178   45.707  329.802   6.0586  349.007   9.6642 -19.20468 11.40628 
1 1 1  -26    8   10 o  107.695   5.0845   79.583   7.0640   81.481   8.7972   76.139   11.852  109.565   5.9251  105.825   8.2646 3.740013 10.16909 
1 1 1  -26    8   11 o  199.307   5.3178  264.421   14.119  242.144   18.085  299.189   22.594  188.808   7.0684  209.805   7.9468 -20.99644 10.63550 
1 1 1  -26    8   12 o  140.560   5.6839  134.083   10.827  134.083   10.827   0.0000   0.0000  140.560   5.6839  ?   ?       ?      ? 
1 1 1  -26    8   13 o  181.185   4.9348  224.396   11.214  226.791   13.545  219.178   19.993  182.816   5.4675  179.554   8.2168 3.261993 9.869577 
1 1 1  -26    8   14 o  144.730   4.8936  141.376   9.0389  139.653   11.027  144.904   15.781  143.450   5.6723  146.009   7.9759 -2.558456 9.787292 
1 1 1  -26    8   15 o  190.711   4.8199  241.885   11.589  233.513   13.910  260.890   20.958  185.502   5.5333  195.921   7.8936 -10.41855 9.639885 
1 1 1  -26    8   16 o  105.634   6.6658   79.188   9.1330   57.047   13.575   97.498   12.345   91.484   10.950  119.783   7.6052 -28.29890 13.33160 
1 1 1  -26    8   17 o  342.384   9.9846  798.259   46.326   0.0000   0.0000  798.259   46.326  ?   ?   342.384   9.9846      ?      ? 
1 1 1  -26    8   18 f  321.006   6.1017  686.115   25.600  648.333   31.824  755.390   43.092  308.881   7.6030  333.131   9.5455 -24.24982 12.20335 
1 1 1  -26    8   19 o  101.401   5.3261   68.895   7.0826   66.180   8.8739   73.660   11.756   98.720   6.6333  104.082   8.3349 -5.362175 10.65227 
1 1 1  -26    8   20 o  217.628   5.0099  318.966   13.593  314.763   16.244  328.785   24.827  215.363   5.5660  219.893   8.3316 -4.529724 10.01976 
1 1 1  -26    8   21 o  169.660   5.1327  202.831   10.920  216.743   13.410  175.449   18.813  178.712   5.5372  160.607   8.6439 18.10489 10.26530 
1 1 1  -26    8   22 o  405.947   6.5733  1152.01   32.499  1194.31   38.711  1051.02   59.815  419.332   6.8123  392.562   11.244 26.77048 13.14663 
1 1 1  -26    8   23 o  326.526   6.1344  723.846   27.144  723.846   27.144   0.0000   0.0000  326.526   6.1344  ?   ?       ?      ? 
1 1 1  -26    8   24 o  444.771   7.1125  1343.97   42.869  1343.97   42.869   0.0000   0.0000  444.771   7.1125  ?   ?       ?      ? 
1 1 1  -26    8   25 o  457.213   7.0232  1422.06   38.483  1419.92   44.934  1427.93   74.540  457.133   7.2536  457.293   12.028 -0.1602173 14.04631 
1 1 1  -26    8   26 o  203.338   5.3916  277.258   14.440  265.750   18.208  296.761   23.704  197.795   6.7932  208.881   8.3743 -11.08641 10.78315 
1 1 1  -26    8   27 o  357.045   6.4577  868.023   29.932  868.704   37.332  866.796   50.086  357.477   7.7063  356.613   10.364 0.8641052 12.91531 
1 1 1  -26    8   28 o  544.920   8.4602  2045.88   59.663  2090.44   74.561  1966.56   99.482  553.916   9.9330  535.924   13.698 17.99213 16.92045 
1 1 1  -26    8   29 o  478.641   7.7219  1568.60   47.806  1582.50   59.492  1543.26   80.318  482.138   9.1055  475.144   12.474 6.994080 15.44384 
1 1 1  -26    8   30 o  270.682   4.8900  497.126   17.918  512.356   26.073  483.495   24.666  274.595   7.0067  266.769   6.8231 7.826477 9.780012 
1 1 1  -26    8   31 o  157.364   4.7510  168.867   10.091  158.525   14.639  178.231   13.929  152.733   7.0730  161.994   6.3452 -9.261368 9.502100 
1 1 1  -26    8   32 o  273.286   4.9146  507.600   18.189  504.968   26.170  510.059   25.297  272.585   7.0846  273.987   6.8134 -1.401642 9.829276 
1 1 1  -26    8   33 o  208.346   5.9159  294.191   15.273  298.315   28.077  292.458   18.201  209.200   9.9041  207.491   6.4731 1.709061 11.83180 
1 1 1  -26    8   34 o  190.949   5.8874  244.871   13.952  256.208   25.774  240.173   16.593  193.874   9.8102  188.023   6.5121 5.850983 11.77487 
1 1 1  -26    8   35 o  222.413   4.7848  335.427   14.399  348.827   21.083  323.713   19.713  226.557   6.8672  218.268   6.6647 8.288956 9.569559 
1 1 1  -26    8   36 o  178.279   4.7809  215.344   11.528  226.340   16.955  205.890   15.722  182.492   6.8560  174.067   6.6651 8.424652 9.561802 
1 1 1  -26    8   37 o  223.703   4.8180  339.954   14.590  343.461   21.185  336.792   20.121  224.785   6.9548  222.620   6.6697 2.164459 9.636073 
1 1 1  -26    8   38 o  361.181   5.5033  887.412   26.925  891.222   38.666  883.826   37.516  361.914   7.8838  360.447   7.6806 1.466370 11.00665 
1 1 1  -26    8   39 o   57.384   11.838   23.200   9.7725   23.672   13.569   22.691   14.086   57.842   16.501   56.927   16.977 0.9148102 23.67505 
1 1 1  -26    8   40 o  224.113   6.9563  342.572   21.122  339.135   29.516  346.179   30.239  222.972   9.7685  225.254   9.9064 -2.282181 13.91261 
1 1 1  -26    8   41 o  164.236   6.0751  186.684   12.500  175.864   22.106  191.769   15.156  160.507   10.163  167.964   6.6584 -7.457230 12.15025 
1 1 1  -26    8   42 o   54.663   8.9123   20.375   6.5636   30.359   10.135   13.161   8.6144   65.623   11.832   43.704   13.331 21.91935 17.82452 
1 1 1  -26    8   43 o  156.239   5.0299  164.169   10.585  190.861   15.901  142.929   14.184  167.524   7.0043  144.953   7.2209 22.57098 10.05989 
1 1 1  -26    8   44 o  123.440   5.4525  104.468   9.0458   96.229   13.339  111.483   12.309  118.858   8.2813  128.022   7.0949 -9.163673 10.90493 
1 1 1  -26    8   45 f   95.340   6.2888   61.789   8.0778   63.655   12.171   60.319   10.799   96.596   9.2981   94.085   8.4698 2.510719 12.57750 
1 1 1  -26    8   46 o  187.565   5.0404  239.706   12.786  232.785   18.515  246.014   17.677  184.945   7.3876  190.185   6.8589 -5.240662 10.08073 
1 1 1  -26    8   47 o  288.318   5.1963  565.279   20.288  578.185   29.360  553.486   28.067  291.449   7.4339  285.186   7.2625 6.263275 10.39260 
1 1 1  -26    8   48 o  143.999   5.3640  142.826   10.342  122.048   14.991  161.695   14.286  133.823   8.2665  154.174   6.8378 -20.35081 10.72805 
1 1 1  -26    8   49 o  283.075   6.3603  548.950   22.768  540.660   40.040  552.911   27.678  281.127   10.510  285.023   7.1660 -3.896149 12.72063 
1 1 1  -26    8   50 o   79.238   7.8812   45.881   7.7717   30.973   11.507   58.384   10.538   65.943   13.335   92.533   8.4040 -26.58972 15.76248 
1 1 1  -26    8   51 o  121.631   5.6103  101.427   9.1907   92.766   13.358  109.215   12.665  116.623   8.4522  126.640   7.3800 -10.01690 11.22069 
1 1 1  -26    8   52 o  104.259   6.0958   74.437   8.5586   71.606   12.696   76.795   11.587  102.389   9.1502  106.129   8.0568 -3.740204 12.19168 
1 1 1  -26    8   53 o  233.009   5.0341  370.080   15.873  347.053   22.438  393.144   22.456  225.711   7.3359  240.307   6.8959 -14.59596 10.06817 
1 1 1  -26    8   54 o  272.284   5.1747  505.299   19.087  498.311   27.227  512.052   26.766  270.409   7.4301  274.159   7.2045 -3.750000 10.34944 
1 1 1  -26    8   55 o  317.055   7.7309  685.600   33.216  685.600   33.216   0.0000   0.0000  317.055   7.7309  ?   ?       ?      ? 
1 1 1  -26    8   56 o  315.608   6.4643  680.713   26.528  678.783   33.131  684.162   44.283  315.412   7.7513  315.805   10.347 -0.3926086 12.92870 
1 1 1  -26    8   57 o  147.536   5.4166  148.192   10.808  153.970   15.901  143.232   14.734  150.181   7.8132  144.892   7.5041 5.289459 10.83312 
1 1 1  -26    8   58 o  216.960   5.0810  320.360   14.912  333.066   21.891  309.360   20.369  220.938   7.3117  212.981   7.0573 7.956985 10.16199 
1 1 1  -26    8   59 o  209.931   5.1025  299.125   14.468  321.424   21.558  280.853   19.515  216.985   7.3316  202.876   7.0985 14.10861 10.20494 
1 1 1  -26    8   60 o  241.773   5.1386  399.251   16.817  398.477   24.348  399.957   23.255  241.503   7.4398  242.043   7.0900 -0.5401306 10.27712 
1 1 1  -26    8   61 o  189.930   5.1202  246.439   13.159  247.500   19.152  245.489   18.112  190.275   7.4275  189.584   7.0498 0.6915436 10.24047 
1 1 1  -26    8   62 o  131.060   7.1317  115.880   11.390  124.382   21.790  112.683   13.361  133.818   12.016  128.302   7.6846 5.516342 14.26333 
1 1 1  -26    8   63 o   87.779   9.5191   57.011   9.4700   50.076   18.241   59.570   11.080   82.464   16.891   93.094   8.7831 -10.62959 19.03810 
1 1 1  -26    8   64 o  111.978   7.4921   91.935   10.389   72.971   17.732  101.846   12.820  102.094   12.817  121.861   7.7630 -19.76697 14.98427 
1 1 1  -26    8   65 o   73.044   7.7178   37.037   7.6214   37.863   11.217   36.330   10.388   73.745   11.224   72.342   10.596 1.402885 15.43558 
1 1 1  -26    8   66 o  134.296   5.5239  124.133   10.020  121.696   14.695  126.252   13.698  132.977   8.1547  135.616   7.4535 -2.639053 11.04775 
1 1 1  -26    8   67 o  262.493   5.1944  473.498   18.466  466.846   26.466  479.807   25.777  260.623   7.4937  264.362   7.1952 -3.739258 10.38876 
1 1 1  -26    8   68 o   84.854   6.8895   49.964   7.8506   59.461   11.422   41.460   10.808   92.621   9.1004   77.088   10.346 15.53288 13.77890 
1 1 1  -26    8   69 o   88.891   7.9816   49.646   9.0830   36.851   10.931   78.195   16.327   72.408   11.140  105.374   11.434 -32.96567 15.96328 
1 1 1  -26    8   70 o  105.397   5.9647   77.022   8.5170   76.702   12.168   77.328   11.925  105.153   8.5393  105.640   8.3302 -0.4875870 11.92945 
1 1 1  -26    8   71 o  102.786   6.0099   73.393   8.3580   73.779   12.176   73.050   11.494  102.972   8.7255  102.600   8.2667 0.3726578 12.01973 
1 1 1  -26    8   72 o   92.912   6.3377   60.873   7.8725   50.247   11.217   71.187   11.051   84.576   9.7873  101.249   8.0546 -16.67252 12.67543 
1 1 1  -26    8   73 o   26.272   8.4132  -6.8658   6.4612 -12.4109   8.2964   1.6815   10.300   20.442   9.8777   32.102   13.622 -11.66042 16.82631 
1 1 1  -26    8   74 o  117.490   6.5475   97.359   10.048   98.059   12.676   96.176   16.482  118.658   7.8832  116.321   10.456 2.336739 13.09497 
1 1 1  -26    8   75 o   78.669   7.7144   43.293   8.0290   39.724   10.146   49.274   13.134   74.773   10.013   82.564   11.738 -7.791412 15.42870 
1 1 1  -26    8   76 o   73.147   9.0708   44.622   8.0736   58.634   10.456   23.928   12.706   91.337   8.4473   54.957   16.055 36.38038 18.14161 
1 1 1  -26    8   77 o   41.491   10.805   11.683   7.9894   13.013   11.718   10.527   10.921   42.953   15.593   40.029   14.961 2.923630 21.60979 
1 1 1  -26    8   78 o  103.536   7.8566   78.191   10.975   75.010   16.052   80.983   15.038  101.160   11.710  105.911   10.478 -4.751801 15.71314 
1 1 1  -26    8   79 f   73.765   13.252   41.792   12.760   0.0000   0.0000   41.792   12.760  ?   ?    73.765   13.252      ?      ? 
1 1 1  -26    8   80 o   55.103   15.053   24.501   11.558   0.0000   0.0000   24.501   11.558  ?   ?    55.103   15.053      ?      ? 
1 1 1  -26    9    1 o  243.621   4.9312  408.660   14.898  416.896   17.883  389.982   26.932  247.835   5.3248  239.407   8.3015 8.428345 9.862457 
1 1 1  -26    9    2 o  138.959   4.3511  129.350   7.8225  125.343   9.6431  137.060   13.377  135.899   5.2362  142.020   6.9507 -6.120651 8.702293 
1 1 1  -26    9    3 o  195.519   5.0843  257.582   13.369  242.859   17.659  277.350   20.463  189.054   6.8929  201.984   7.4759 -12.92915 10.16867 
1 1 1  -26    9    4 o  426.141   6.5327  1233.46   33.516  1229.72   39.224  1243.58   64.520  425.436   6.8035  426.845   11.154 -1.409058 13.06538 
1 1 1  -26    9    5 o  154.084   4.5542  162.232   9.0391  164.459   11.207  158.086   15.290  155.666   5.3129  152.502   7.3984 3.164169 9.108418 
1 1 1  -26    9    6 o   92.040   4.9407   57.048   6.0795   54.602   7.8993   60.603   9.5216   89.659   6.5014   94.422   7.4414 -4.762688 9.881441 
1 1 1  -26    9    7 o  290.161   5.2888  564.299   18.857  553.641   22.269  591.309   35.450  285.577   5.7543  294.744   8.8753 -9.167572 10.57751 
1 1 1  -26    9    8 o  217.127   5.4401  319.976   16.007  319.976   16.007   0.0000   0.0000  217.127   5.4401  ?   ?       ?      ? 
1 1 1  -26    9    9 o  430.598   6.5896  1239.63   33.945  1214.57   39.417  1311.56   66.780  422.812   6.8794  438.385   11.241 -15.57251 13.17913 
1 1 1  -26    9   10 o   89.419   5.2727   54.518   6.2964   55.385   8.2682   53.321   9.7145   90.294   6.7572   88.544   8.0961 1.749168 10.54549 
1 1 1  -26    9   11 o  311.795   5.5296  656.508   21.184  650.437   25.073  671.652   39.600  309.518   5.9778  314.073   9.3043 -4.554810 11.05913 
1 1 1  -26    9   12 o  189.138   5.9624  245.770   15.120  210.038   21.761  279.118   21.023  175.649   9.1424  202.626   7.6561 -26.97777 11.92478 
1 1 1  -26    9   13 o  464.833   7.0363  1484.00   39.557  1498.71   46.574  1445.91   74.938  469.596   7.3188  460.069   12.020 9.527374 14.07261 
1 1 1  -26    9   14 o  167.722   4.9801  195.831   10.650  206.147   13.212  176.687   17.998  174.272   5.5944  161.172   8.2406 13.09947 9.960161 
1 1 1  -26    9   15 o  307.313   5.9249  643.941   23.837  648.280   30.108  636.652   39.018  308.864   7.1934  305.762   9.4166 3.102203 11.84982 
1 1 1  -26    9   16 o   89.076   7.7951   54.281   8.8175   53.706   15.401   54.562   10.754   88.615   12.825   89.536   8.8635 -0.9210205 15.59012 
1 1 1  -26    9   17 o  433.262   12.247  1282.81   71.908  1282.81   71.908   0.0000   0.0000  433.262   12.247  ?   ?       ?      ? 
1 1 1  -26    9   18 o  220.122   6.7609  329.167   20.167  329.167   20.167   0.0000   0.0000  220.122   6.7609  ?   ?       ?      ? 
1 1 1  -26    9   19 o  292.922   5.8437  584.225   22.401  585.833   28.252  581.503   36.762  293.616   7.1005  292.228   9.2832 1.387573 11.68740 
1 1 1  -26    9   20 o  101.939   5.8111   70.731   7.9847   71.123   10.768   70.251   11.901  102.275   7.7694  101.604   8.6435 0.6714783 11.62211 
1 1 1  -26    9   21 o  158.249   5.3261  170.928   11.237  174.240   14.714  166.292   17.408  160.145   6.7800  156.352   8.2158 3.793671 10.65217 
1 1 1  -26    9   22 o  439.383   6.7943  1276.89   35.344  1238.37   40.719  1394.59   71.177  426.888   7.0388  451.878   11.623 -24.98978 13.58858 
1 1 1  -26    9   23 o  197.865   5.6397  265.775   15.122  265.775   15.122   0.0000   0.0000  197.865   5.6397  ?   ?       ?      ? 
1 1 1  -26    9   24 o  130.085   5.3822  118.752   8.9295  127.322   11.147  103.403   14.918  136.932   6.0072  123.239   8.9324 13.69279 10.76450 
1 1 1  -26    9   25 o  248.849   5.2637  418.262   16.202  414.344   19.265  427.728   29.943  247.040   5.7548  250.659   8.8153 -3.618896 10.52745 
1 1 1  -26    9   26 o   82.112   6.2946   46.742   6.7823   49.710   8.7409   42.252   10.752   85.504   7.5437   78.721   10.079 6.782494 12.58920 
1 1 1  -26    9   27 o  273.786   5.4260  510.635   18.327  511.885   21.816  507.637   33.783  274.565   5.8633  273.007   9.1315 1.557709 10.85190 
1 1 1  -26    9   28 o  248.922   5.2216  408.118   16.071  390.365   18.961  453.420   30.289  239.768   5.8355  258.076   8.6607 -18.30696 10.44317 
1 1 1  -26    9   29 f  170.114   4.7331  196.610   10.888  197.148   15.931  196.138   14.916  170.316   6.9024  169.911   6.4782 0.4056549 9.466290 
1 1 1  -26    9   30 o  286.991   4.9697  560.024   19.315  555.102   27.757  564.645   26.895  285.749   7.1680  288.232   6.8856 -2.482819 9.939412 
1 1 1  -26    9   31 o  339.126   5.2939  781.933   24.315  788.022   35.029  776.270   33.780  340.382   7.5941  337.870   7.3777 2.511505 10.58776 
1 1 1  -26    9   32 o  230.100   5.9728  359.988   17.035  361.648   31.226  359.284   20.325  230.256   10.007  229.944   6.5228 0.3114014 11.94554 
1 1 1  -26    9   33 o  122.540   6.9256  107.168   9.9181   92.858   19.180  112.392   11.588  116.481   12.151  128.598   6.6493 -12.11781 13.85126 
1 1 1  -26    9   34 o  260.217   5.9549  455.361   19.558  476.695   35.048  445.711   23.570  264.365   9.7830  256.068   6.7924 8.297241 11.90977 
1 1 1  -26    9   35 o  319.529   6.3159  680.160   25.409  737.557   46.106  655.125   30.450  328.686   10.351  310.372   7.2397 18.31454 12.63188 
1 1 1  -26    9   36 o  193.749   5.7674  250.879   14.054  268.134   25.472  243.328   16.851  198.288   9.4795  189.210   6.5719 9.078201 11.53478 
1 1 1  -26    9   37 o  104.081   5.6619   73.068   7.9314   79.414   12.102   68.289   10.501  107.990   8.2694  100.172   7.7359 7.817719 11.32372 
1 1 1  -26    9   38 o  176.566   6.0294  203.993   13.649  188.171   16.515  238.099   24.246  166.314   7.3275  186.817   9.5771 -20.50333 12.05877 
1 1 1  -26    9   39 o  144.926   6.3738  138.336   11.870  128.821   14.418  158.355   20.912  137.571   7.7336  152.281   10.134 -14.70918 12.74759 
1 1 1  -26    9   40 o  394.256   5.7678  1058.76   30.809  1052.91   43.964  1064.40   43.186  393.163   8.2517  395.348   8.0608 -2.185394 11.53550 
1 1 1  -26    9   41 f  198.427   4.8949  267.648   13.131  269.887   19.279  265.711   17.934  199.176   7.1428  197.677   6.6947 1.498550 9.789781 
1 1 1  -26    9   42 o  116.129   5.7747   92.034   9.0248   90.410   13.518   93.341   12.122  115.164   8.6617  117.094   7.6395 -1.930428 11.54931 
1 1 1  -26    9   43 o  231.032   5.0061  361.233   15.626  388.241   23.229  338.911   21.118  238.864   7.1762  223.199   6.9819 15.66513 10.01227 
1 1 1  -26    9   44 o  399.831   5.8557  1085.54   31.665  1153.53   46.604  1027.24   43.156  411.395   8.3595  388.266   8.2022 23.12915 11.71141 
1 1 1  -26    9   45 o  163.833   5.0823  183.480   11.232  170.473   16.279  195.301   15.518  158.224   7.5922  169.442   6.7584 -11.21736 10.16451 
1 1 1  -26    9   46 o  184.778   4.9896  232.656   12.460  228.042   18.208  236.719   17.087  183.019   7.3414  186.536   6.7594 -3.517181 9.979287 
1 1 1  -26    9   47 o  258.629   5.0462  454.758   17.663  465.846   25.756  444.914   24.269  261.579   7.2660  255.678   7.0044 5.901138 10.09239 
1 1 1  -26    9   48 o   63.332   10.109   24.829   8.0002   41.567   14.940   18.099   9.4730   76.267   14.989   50.396   13.569 25.87094 20.21898 
1 1 1  -26    9   49 o  216.761   5.0674  319.178   14.831  328.634   22.062  311.381   20.033  219.645   7.4121  213.876   6.9120 5.769073 10.13481 
1 1 1  -26    9   50 o  426.523   6.0923  1241.79   35.207  1247.54   50.331  1236.28   49.266  427.463   8.6888  425.584   8.5423 1.879028 12.18465 
1 1 1  -26    9   51 o  336.603   5.4985  772.714   25.074  750.656   35.432  794.839   35.486  331.762   7.8812  341.445   7.6693 -9.683136 10.99690 
1 1 1  -26    9   52 o  357.363   6.7456  874.418   31.316  875.483   39.106  872.515   52.285  358.177   8.0568  356.551   10.821 1.625854 13.49114 
1 1 1  -26    9   53 o  257.976   6.0669  446.698   20.417  426.311   25.362  484.234   34.414  250.023   7.4855  265.929   9.5496 -15.90625 12.13375 
1 1 1  -26    9   54 o  376.888   7.1750  969.790   34.355  960.863   41.780  988.425   60.368  375.029   8.2209  378.746   11.762 -3.717194 14.35000 
1 1 1  -26    9   55 o  116.118   5.8743   92.298   9.1961   90.938   13.660   93.425   12.436  115.279   8.7442  116.957   7.8466 -1.677361 11.74864 
1 1 1  -26    9   56 o  105.522   6.1138   77.090   8.6339   68.866   12.806   83.945   11.691  100.201   9.4306  110.843   7.7832 -10.64223 12.22763 
1 1 1  -26    9   57 o  109.996   6.0425   82.374   8.9556   87.290   13.546   78.556   11.936  112.851   8.8579  107.142   8.2210 5.709412 12.08499 
1 1 1  -26    9   58 o   85.777   7.0318   51.021   8.0793   47.623   12.140   53.723   10.825   83.077   10.783   88.476   9.0284 -5.398788 14.06363 
1 1 1  -26    9   59 o  127.529   5.7534  113.118   9.7878   95.174   14.303  128.922   13.423  117.721   8.9658  137.336   7.2125 -19.61569 11.50676 
1 1 1  -26    9   60 o  104.221   8.0616   77.629   10.049   70.233   18.923   80.534   11.859  100.060   13.956  108.383   8.0743 -8.323112 16.12321 
1 1 1  -26    9   61 o  167.838   5.2553  192.445   11.905  198.072   17.748  187.841   16.053  169.996   7.7040  165.679   7.1499 4.317245 10.51065 
1 1 1  -26    9   62 o  180.402   5.2406  223.351   12.779  218.287   18.622  227.859   17.569  178.384   7.7035  182.420   7.1072 -4.036118 10.48123 
1 1 1  -26    9   63 o   91.514   7.7099   53.437   9.0105   73.509   16.461   44.849   10.767  102.549   11.845   80.479   9.8725 22.07047 15.41990 
1 1 1  -26    9   64 o   78.273   7.1675   42.422   7.5619   43.764   11.365   41.356   10.130   79.296   10.576   77.250   9.6763 2.045944 14.33492 
1 1 1  -26    9   65 o   34.255   9.4771   5.2956   6.4477   2.9438   9.4883   7.3133   8.7886   32.514   13.377   35.995   13.428 -3.480915 18.95413 
1 1 1  -26    9   66 o   99.928   6.1285   68.994   8.2745   70.464   12.232   67.753   11.235  100.838   8.9511   99.017   8.3733 1.820808 12.25702 
1 1 1  -26    9   67 o   63.780   8.3202   28.935   7.0262   32.821   10.441   25.718   9.4987   68.278   11.285   59.283   12.230 8.994572 16.64038 
1 1 1  -26    9   68 o  199.372   6.2972  272.049   15.970  263.985   19.364  289.199   28.238  195.662   7.3029  203.081   10.261 -7.419220 12.59440 
1 1 1  -26    9   69 o  100.393   6.1259   70.538   8.2387   58.303   11.603   82.980   11.700   91.335   9.3744  109.452   7.8885 -18.11693 12.25187 
1 1 1  -26    9   70 o   77.705   7.0964   42.881   7.3782   35.687   10.512   49.866   10.359   70.951   10.933   84.460   9.0505 -13.50864 14.19284 
1 1 1  -26    9   71 o  116.970   6.6804   95.774   10.146   94.811   12.643   97.515   17.005  116.745   7.9915  117.194   10.707 -0.4492416 13.36081 
1 1 1  -26    9   72 o  128.830   6.3331  115.431   10.692  112.304   13.432  120.837   17.663  127.012   7.8038  130.647   9.9765 -3.635307 12.66613 
1 1 1  -26    9   73 o  115.608   6.6121   93.899   10.046   92.341   12.711   96.494   16.399  114.896   8.1637  116.320   10.403 -1.423805 13.22418 
1 1 1  -26    9   74 o   61.964   9.1446   26.894   7.5791   16.491   9.6645   43.513   12.215   46.484   14.107   77.444   11.639 -30.96041 18.28913 
1 1 1  -26    9   75 o   78.531   7.7006   43.949   8.0585   41.357   10.372   47.898   12.800   76.002   10.071   81.059   11.652 -5.056847 15.40123 
1 1 1  -26    9   76 f   57.156   10.800   25.832   8.5017   29.152   12.740   23.166   11.415   60.324   15.501   53.988   15.043 6.336849 21.59999 
1 1 1  -26    9   77 o   82.760   11.742   50.427   13.169   0.0000   0.0000   50.427   13.169  ?   ?    82.760   11.742      ?      ? 
1 1 1  -26    9   78 o   57.510   14.906   26.591   11.712   0.0000   0.0000   26.591   11.712  ?   ?    57.510   14.906      ?      ? 
1 1 1  -26    9   79 o   28.520   12.799  -2.3161   10.274   0.0000   0.0000  -2.3161   10.274  ?   ?    28.520   12.799      ?      ? 
1 1 1  -26   10    1 o  259.782   4.6641  458.702   16.417  463.374   23.092  453.927   23.344  261.128   6.5258  258.436   6.6657 2.691986 9.328287 
1 1 1  -26   10    2 o  156.229   4.5946  168.982   9.1566  175.684   11.320  156.296   15.574  160.876   5.1924  151.582   7.5816 9.293716 9.189191 
1 1 1  -26   10    3 o  130.831   7.2722  116.393   12.893   0.0000   0.0000  116.393   12.893  ?   ?   130.831   7.2722      ?      ? 
1 1 1  -26   10    4 o  297.785   5.5225  627.735   20.328  668.562   24.664  541.271   35.894  313.766   5.8007  281.805   9.3991 31.96045 11.04496 
1 1 1  -26   10    5 o  428.596   6.6140  1261.81   34.331  1274.32   40.456  1229.61   64.895  432.988   6.8949  424.203   11.289 8.785065 13.22799 
1 1 1  -26   10    6 o  292.597   5.3400  578.335   19.260  572.864   22.847  591.774   35.808  290.447   5.8046  294.748   8.9650 -4.301392 10.68009 
1 1 1  -26   10    7 o  233.675   8.8599  371.889   28.056  371.889   28.056   0.0000   0.0000  233.675   8.8599  ?   ?       ?      ? 
1 1 1  -26   10    8 o  482.052   8.7887  1590.29   57.400  1595.61   82.061  1585.19   80.320  482.797   12.543  481.306   12.315 1.490570 17.57744 
1 1 1  -26   10    9 o  465.579   7.0627  1511.54   40.045  1557.26   47.617  1401.08   74.011  478.567   7.3424  452.591   12.067 25.97647 14.12545 
1 1 1  -26   10   10 o  359.497   5.9754  884.634   26.291  891.285   31.169  868.232   48.948  362.213   6.3501  356.780   10.124 5.432465 11.95075 
1 1 1  -26   10   11 o  211.434   4.8861  304.647   13.079  306.126   15.903  301.557   22.992  212.346   5.5265  210.521   8.0593 1.824707 9.772117 
1 1 1  -26   10   12 o  195.509   4.8436  260.229   12.051  261.096   14.719  258.464   20.992  196.107   5.5385  194.912   7.9477 1.195313 9.687134 
1 1 1  -26   10   13 o  131.175   5.0036  119.058   8.5376  125.125   10.825  109.073   13.887  135.741   5.8849  126.609   8.0939 9.131859 10.00716 
1 1 1  -26   10   14 f  202.254   4.8288  271.393   12.387  259.993   14.924  296.641   22.209  195.686   5.6277  208.822   7.8483 -13.13525 9.657511 
1 1 1  -26   10   15 o  204.100   5.0862  293.431   13.101  314.523   16.194  253.480   22.288  215.237   5.5522  192.964   8.5234 22.27315 10.17233 
1 1 1  -26   10   16 o  363.611   6.5087  896.893   31.110  885.086   39.345  916.588   50.814  360.665   8.0501  366.556   10.230 -5.890503 13.01732 
1 1 1  -26   10   17 o  491.513   7.2768  1589.96   42.201  1533.13   48.477  1767.78   85.755  474.801   7.5343  508.224   12.452 -33.42291 14.55359 
1 1 1  -26   10   18 o  460.598   7.1184  1492.29   40.088  1558.53   47.986  1339.25   72.936  478.747   7.3964  442.448   12.165 36.29868 14.23676 
1 1 1  -26   10   19 o  229.452   5.0839  351.973   14.653  342.459   17.560  373.778   26.585  224.571   5.7703  234.332   8.3719 -9.761734 10.16789 
1 1 1  -26   10   20 o  288.165   5.5603  576.240   19.902  594.416   23.995  536.173   35.625  295.839   5.9853  280.491   9.3726 15.34824 11.12066 
1 1 1  -26   10   21 o  437.999   6.7970  1300.92   35.857  1292.76   41.941  1323.08   69.120  436.069   7.0975  439.929   11.594 -3.859192 13.59404 
1 1 1  -26   10   22 o  303.792   7.5898  627.741   31.246  627.741   31.246   0.0000   0.0000  303.792   7.5898  ?   ?       ?      ? 
1 1 1  -26   10   23 o  141.646   7.7179  136.492   14.814  136.492   14.814   0.0000   0.0000  141.646   7.7179  ?   ?       ?      ? 
1 1 1  -26   10   24 o  154.921   5.9258  163.010   12.441  163.010   12.441   0.0000   0.0000  154.921   5.9258  ?   ?       ?      ? 
1 1 1  -26   10   25 o  258.194   5.4259  464.688   17.407  483.027   21.040  424.906   30.988  266.688   5.8220  249.701   9.1579 16.98738 10.85188 
1 1 1  -26   10   26 o  268.658   5.7903  490.355   20.538  487.032   26.201  495.652   33.078  267.618   7.2247  269.698   9.0506 -2.079956 11.58060 
1 1 1  -26   10   27 o  262.180   5.7150  459.322   19.734  433.671   24.817  503.436   32.544  252.523   7.2521  271.836   8.8346 -19.31227 11.42994 
1 1 1  -26   10   28 o  162.280   5.6236  181.380   12.203  197.083   16.463  162.229   18.180  170.240   7.1360  154.320   8.6936 15.91988 11.24726 
1 1 1  -26   10   29 o  228.503   5.5992  352.048   16.979  339.656   21.730  371.478   27.209  223.480   7.1751  233.526   8.5978 -10.04601 11.19844 
1 1 1  -26   10   30 o  173.544   5.1209  201.181   11.328  194.408   13.737  215.577   20.027  169.165   5.9922  177.923   8.3060 -8.757538 10.24189 
1 1 1  -26   10   31 o  190.482   5.6585  245.822   14.476  238.514   19.111  255.661   22.174  187.228   7.5323  193.736   8.4461 -6.508911 11.31690 
1 1 1  -26   10   32 o  202.963   6.6498  279.031   18.051  292.684   28.160  269.509   23.518  207.055   10.036  198.871   8.7265 8.184036 13.29956 
1 1 1  -26   10   33 o  347.715   5.4006  822.713   25.432  827.003   36.661  818.734   35.309  348.564   7.7613  346.867   7.5118 1.696899 10.80117 
1 1 1  -26   10   34 o  307.555   5.1569  643.271   21.469  649.395   31.163  637.739   29.620  308.922   7.4440  306.189   7.1386 2.732513 10.31373 
1 1 1  -26   10   35 o  209.641   4.8069  299.407   13.619  290.421   19.825  307.439   18.742  206.625   7.0801  212.658   6.5037 -6.033203 9.613850 
1 1 1  -26   10   36 o  168.477   4.9095  194.090   11.138  181.589   16.362  204.887   15.206  163.351   7.3914  173.603   6.4636 -10.25165 9.818923 
1 1 1  -26   10   37 o  117.048   7.3382   94.044   10.887   94.798   13.267   92.487   19.050  117.953   8.3000  116.143   12.104 1.810371 14.67634 
1 1 1  -26   10   38 o  147.647   6.6503  149.245   12.482  150.126   15.243  147.451   21.749  148.499   7.5746  146.795   10.933 1.704208 13.30059 
1 1 1  -26   10   39 f  186.789   4.9256  238.555   12.400  222.327   18.103  252.896   17.018  180.727   7.3919  192.850   6.5120 -12.12363 9.851181 
1 1 1  -26   10   40 f  244.924   4.9272  405.959   16.303  436.432   24.249  380.821   22.024  253.253   7.0656  236.596   6.8692 16.65694 9.854370 
1 1 1  -26   10   41 o  113.537   5.6494   88.570   8.5867   82.337   12.922   93.499   11.490  109.873   8.6788  117.201   7.2347 -7.328003 11.29880 
1 1 1  -26   10   42 o  295.050   5.1642  592.109   20.625  603.865   30.011  581.587   28.391  297.797   7.4367  292.303   7.1675 5.493805 10.32847 
1 1 1  -26   10   43 o  231.449   4.9510  362.659   15.481  389.550   23.025  340.475   20.913  239.222   7.1027  223.676   6.8995 15.54626 9.902091 
1 1 1  -26   10   44 o  191.495   4.9457  249.853   12.799  246.242   18.737  253.011   17.524  190.161   7.2711  192.829   6.7061 -2.667633 9.891461 
1 1 1  -26   10   45 o  115.206   5.6477   90.475   8.7630   90.617   13.145   90.361   11.757  115.248   8.4165  115.164   7.5332 0.8467102E-01 11.29547 
1 1 1  -26   10   46 o  208.844   4.9356  296.282   13.940  307.429   20.511  286.712   19.004  212.465   7.1237  205.223   6.8333 7.242081 9.871230 
1 1 1  -26   10   47 o  168.723   6.2374  188.272   13.138  210.371   24.362  179.208   15.602  175.242   10.259  162.204   7.0979 13.03807 12.47476 
1 1 1  -26   10   48 o  357.320   6.7084  866.635   31.119  849.766   38.633  897.800   52.513  352.885   8.0788  361.754   10.712 -8.869019 13.41688 
1 1 1  -26   10   49 o  341.871   6.5975  803.960   29.393  815.561   36.983  784.066   48.432  345.713   7.8941  338.028   10.573 7.685394 13.19493 
1 1 1  -26   10   50 o   83.501   7.1153   48.157   7.9665   45.045   11.932   50.658   10.701   80.966   10.875   86.035   9.1780 -5.068970 14.23058 
1 1 1  -26   10   51 o  137.698   5.4101  130.024   10.037  122.434   14.739  136.586   13.705  133.869   8.1247  141.526   7.1461 -7.656906 10.82024 
1 1 1  -26   10   52 f  276.910   5.1908  523.580   19.467  508.296   27.713  538.467   27.351  272.876   7.4943  280.943   7.1841 -8.066437 10.38150 
1 1 1  -26   10   53 o  177.440   6.3256  207.949   14.423  192.702   17.508  240.147   25.443  167.943   7.6928  186.936   10.044 -18.99341 12.65116 
1 1 1  -26   10   54 o  100.153   6.1406   68.267   8.3053   74.912   12.374   62.820   11.204  104.551   8.7336   95.754   8.6344 8.796959 12.28127 
1 1 1  -26   10   55 o  140.876   5.2896  135.503   10.059  137.563   14.943  133.796   13.603  141.804   7.7762  139.949   7.1728 1.854996 10.57921 
1 1 1  -26   10   56 f  166.125   5.2233  188.940   11.694  186.615   17.415  190.850   15.782  165.109   7.7832  167.141   6.9679 -2.032288 10.44653 
1 1 1  -26   10   57 o   96.810   8.1887   65.115   9.5702   64.882   18.231   65.204   11.244   96.161   13.991   97.459   8.5136 -1.297829 16.37734 
1 1 1  -26   10   58 o  167.363   6.9285  209.592   13.956  153.925   24.374  236.742   17.022  148.624   12.102  186.101   6.7497 -37.47679 13.85690 
1 1 1  -26   10   59 o  190.215   5.1143  246.216   13.131  265.836   19.671  230.447   17.635  196.966   7.3697  183.463   7.0931 13.50308 10.22859 
1 1 1  -26   10   60 o  103.697   6.1431   74.031   8.5780   74.560   12.891   73.611   11.492  103.935   9.1526  103.459   8.1965 0.4755630 12.28629 
1 1 1  -26   10   61 o  161.524   5.2398  179.784   11.379  173.072   17.010  185.220   15.309  158.638   7.9124  164.410   6.8714 -5.771729 10.47958 
1 1 1  -26   10   62 o   90.966   7.7023   55.492   8.8010   63.975   16.210   51.946   10.480   95.257   12.557   86.676   8.9225 8.581306 15.40461 
1 1 1  -26   10   63 o  273.027   5.2301  513.243   19.329  498.053   27.722  527.614   26.965  268.975   7.6055  277.079   7.1814 -8.104126 10.46017 
1 1 1  -26   10   64 o  156.702   5.2475  169.323   11.096  166.645   16.386  171.591   15.080  155.430   7.7796  157.973   7.0444 -2.542145 10.49502 
1 1 1  -26   10   65 o  126.846   5.5153  111.126   9.4351  111.388   14.047  110.911   12.735  126.863   8.1711  126.828   7.4099 0.3520966E-01 11.03055 
1 1 1  -26   10   66 o  120.306   5.6304  100.062   9.1613  102.620   13.449   97.848   12.514  121.675   8.1564  118.938   7.7640 2.737000 11.26083 
1 1 1  -26   10   67 o  100.777   8.0492   75.548   10.062   82.328   12.382   62.374   17.262  108.810   8.3976   92.744   13.735 16.06595 16.09844 
1 1 1  -26   10   68 o   61.721   9.7024   27.373   7.7539   22.454   9.7919   35.644   12.697   54.634   13.341   68.808   14.091 -14.17367 19.40477 
1 1 1  -26   10   69 f   52.961   9.9724   19.740   7.5386   11.505   9.7444   32.015   11.897   40.882   14.285   65.039   13.919 -24.15695 19.94487 
1 1 1  -26   10   70 o   67.384   9.1624   34.031   7.9399   35.276   10.135   32.054   12.775   70.336   10.633   64.433   14.924 5.903229 18.32478 
1 1 1  -26   10   71 o  112.800   6.6576   90.078   9.8347   90.300   12.439   89.708   16.062  113.613   8.0794  111.987   10.584 1.626862 13.31521 
1 1 1  -26   10   72 f   75.850   7.9501   40.855   7.9634   38.372   10.066   45.008   13.018   73.274   10.138   78.427   12.249 -5.152092 15.90028 
1 1 1  -26   10   73 o   44.048   10.216   13.820   6.9089   10.820   8.7395   18.820   11.282   39.026   13.534   49.070   15.305 -10.04459 20.43117 
1 1 1  -26   10   74 o   78.717   9.6521   48.450   9.7614   37.785   14.455   57.390   13.235   68.573   15.870   88.860   10.991 -20.28725 19.30421 
1 1 1  -26   10   75 o   22.103   10.555 -10.2884   8.8549   0.0000   0.0000 -10.2884   8.8549  ?   ?    22.103   10.555      ?      ? 
1 1 1  -26   10   76 o   40.666   14.830   11.774   10.617   0.0000   0.0000   11.774   10.617  ?   ?    40.666   14.830      ?      ? 
1 1 1  -26   10   77 o   85.498   11.587   54.152   13.425   0.0000   0.0000   54.152   13.425  ?   ?    85.498   11.587      ?      ? 
1 1 1  -26   10   78 o   30.445   13.244   0.8206   10.206   0.0000   0.0000   0.8206   10.206  ?   ?    30.445   13.244      ?      ? 
1 1 1  -26   11    1 o  216.081   5.1503  319.388   14.694  325.614   18.876  309.810   23.410  218.874   6.3640  213.289   8.0995 5.584915 10.30060 
1 1 1  -26   11    2 o  247.879   6.6844  423.016   22.016  398.149   34.131  440.735   28.811  241.398   10.434  254.359   8.3586 -12.96088 13.36885 
1 1 1  -26   11    3 o  239.476   6.0390  387.404   19.514  433.082   29.208  350.577   26.226  252.116   8.5491  226.836   8.5317 25.27982 12.07793 
1 1 1  -26   11    4 f  120.924   5.0837   99.391   8.3164   98.226   11.403  100.715   12.156  120.180   7.0016  121.669   7.3726 -1.488678 10.16747 
1 1 1  -26   11    5 o  128.831   4.9795  112.134   8.6592  104.751   11.632  121.313   12.969  124.114   6.9157  133.548   7.1662 -9.433884 9.958989 
1 1 1  -26   11    7 o  237.408   6.6973  383.172   21.547  383.172   21.547   0.0000   0.0000  237.408   6.6973  ?   ?       ?      ? 
1 1 1  -26   11    8 o  161.243   5.0905  176.211   11.033  172.088   14.624  181.660   16.810  159.096   6.7831  163.390   7.5922 -4.294266 10.18092 
1 1 1  -26   11    9 o  123.154   5.3364  103.341   8.8869  105.720   12.261  100.709   12.899  124.669   7.2574  121.640   7.8254 3.028847 10.67271 
1 1 1  -26   11   10 o  318.611   6.0238  695.161   25.222  707.008   32.131  676.143   40.712  322.382   7.3549  314.839   9.5422 7.542938 12.04768 
1 1 1  -26   11   11 o  415.103   6.9722  1186.02   37.829  1216.18   47.926  1136.18   61.612  422.576   8.3692  407.631   11.154 14.94476 13.94438 
1 1 1  -26   11   12 o  353.524   6.3860  863.063   29.671  902.019   38.114  803.138   47.272  364.066   7.7254  342.983   10.171 21.08322 12.77195 
1 1 1  -26   11   13 o  235.902   5.3955  374.770   16.886  360.437   21.583  397.388   27.112  230.237   6.9176  241.567   8.2821 -11.33017 10.79101 
1 1 1  -26   11   14 o  363.397   6.4305  890.701   30.465  866.365   37.955  934.778   51.080  356.773   7.8505  370.021   10.187 -13.24823 12.86095 
1 1 1  -26   11   15 o  419.231   8.3829  1204.32   47.420  1064.92   66.365  1349.74   67.781  394.209   12.423  444.254   11.259 -50.04459 16.76588 
1 1 1  -26   11   16 o  323.333   6.1486  720.856   26.198  752.409   33.783  673.252   41.495  332.546   7.4965  314.120   9.7481 18.42673 12.29723 
1 1 1  -26   11   17 o  132.606   5.4156  119.526   9.7137  117.522   13.289  121.824   14.234  131.429   7.4614  133.783   7.8512 -2.354477 10.83121 
1 1 1  -26   11   18 f  160.480   5.0697  179.673   10.489  191.545   13.220  159.497   17.234  167.925   5.8093  153.035   8.3102 14.89047 10.13937 
1 1 1  -26   11   19 o  241.061   5.1262  391.858   15.486  386.402   18.580  404.269   28.025  238.511   5.7485  243.610   8.4892 -5.098541 10.25241 
1 1 1  -26   11   20 f  108.890   5.3015   80.046   7.6598   77.693   9.8112   83.719   12.258  106.898   6.7728  110.881   8.1579 -3.982452 10.60297 
1 1 1  -26   11   21 o  133.960   6.1482  121.938   11.161  121.938   11.161   0.0000   0.0000  133.960   6.1482  ?   ?       ?      ? 
1 1 1  -26   11   22 o  121.270   5.2923  101.674   8.3874  106.719   10.698   93.626   13.512  125.312   6.2998  117.229   8.5056 8.083351 10.58454 
1 1 1  -26   11   23 o  252.501   5.1896  419.323   16.287  399.056   19.271  469.992   30.471  242.365   5.8674  262.637   8.5615 -20.27205 10.37914 
1 1 1  -26   11   24 o  240.710   5.3918  409.999   16.211  439.113   19.862  351.913   28.055  254.247   5.7649  227.173   9.1133 27.07416 10.78366 
1 1 1  -26   11   25 o  229.270   5.2101  357.751   14.994  357.899   18.079  357.425   26.840  229.528   5.8123  229.012   8.6485 0.5153198 10.42017 
1 1 1  -26   11   26 o  259.826   5.3037  447.271   17.063  430.503   20.178  489.363   31.969  251.720   5.9153  267.931   8.8050 -16.21173 10.60746 
1 1 1  -26   11   27 o  104.960   5.8437   76.417   8.0748   81.779   10.484   68.596   12.661  109.646   7.0557  100.274   9.3174 9.371948 11.68744 
1 1 1  -26   11   28 o  219.490   5.6965  326.992   16.736  321.121   21.922  335.194   25.910  217.219   7.4474  221.761   8.6218 -4.542358 11.39294 
1 1 1  -26   11   29 o  129.270   8.6650  113.915   15.179  113.915   15.179   0.0000   0.0000  129.270   8.6650  ?   ?       ?      ? 
1 1 1  -26   11   30 o  241.274   7.5396  396.268   24.651  396.268   24.651   0.0000   0.0000  241.274   7.5396  ?   ?       ?      ? 
1 1 1  -26   11   31 o  125.347   6.2950  106.629   10.627   91.116   14.527  124.488   15.587  115.552   9.2774  135.141   8.5112 -19.58911 12.59005 
1 1 1  -26   11   32 o  103.530   6.0608   71.812   8.3354   67.125   10.635   79.278   13.422   99.273   7.9052  107.787   9.1891 -8.514435 12.12155 
1 1 1  -26   11   33 o  326.378   5.8807  712.335   23.414  695.241   27.490  757.513   44.689  319.779   6.3436  332.978   9.9039 -13.19894 11.76131 
1 1 1  -26   11   34 o  124.942   5.8440  110.240   9.3664  120.470   11.845   93.165   15.302  133.094   6.5672  116.790   9.6686 16.30389 11.68803 
1 1 1  -26   11   35 o  153.762   5.4053  162.226   10.679  164.928   13.215  157.144   18.126  155.749   6.2614  151.774   8.8128 3.974777 10.81068 
1 1 1  -26   11   36 o  239.674   6.1504  398.246   18.881  412.617   23.420  371.567   31.912  246.232   7.0189  233.116   10.102 13.11546 12.30078 
1 1 1  -26   11   37 o  133.852   6.5024  123.024   11.164  124.533   13.779  120.140   19.049  135.223   7.5193  132.480   10.611 2.742691 13.00481 
1 1 1  -26   11   38 o   85.040   6.3029   48.147   7.1733   58.984   11.195   40.597   9.3435   92.961   8.8866   77.119   8.9406 15.84198 12.60579 
1 1 1  -26   11   39 o  205.673   4.8574  289.099   13.481  264.253   19.342  312.570   18.799  196.992   7.2454  214.354   6.4717 -17.36182 9.714873 
1 1 1  -26   11   40 o  296.733   5.1411  599.029   20.649  612.666   30.065  586.854   28.409  299.899   7.3978  293.566   7.1411 6.332153 10.28215 
1 1 1  -26   11   41 o  228.686   4.9223  354.963   15.211  370.253   22.547  342.193   20.606  233.163   7.1360  224.210   6.7818 8.953781 9.844584 
1 1 1  -26   11   42 o  181.938   4.9115  223.850   12.059  242.572   18.091  208.880   16.177  188.719   7.0739  175.156   6.8155 13.56316 9.823006 
1 1 1  -26   11   43 o  218.227   5.7218  318.664   16.477  299.063   20.768  351.952   27.066  209.487   7.3158  226.967   8.7998 -17.47951 11.44365 
1 1 1  -26   11   44 o  127.264   6.2353  110.671   10.666  110.519   14.205  110.868   16.149  127.233   8.2386  127.295   9.3616 -0.6147766E-01 12.47054 
1 1 1  -26   11   45 o  274.826   6.1852  527.645   22.315  571.255   28.970  464.022   34.992  289.444   7.3859  260.208   9.9235 29.23669 12.37039 
1 1 1  -26   11   46 o   83.317   8.5215   45.641   8.6887   53.119   16.803   42.912   10.151   87.481   14.174   79.152   9.4639 8.328583 17.04295 
1 1 1  -26   11   47 o  177.380   5.0716  215.080   12.146  208.006   17.787  221.259   16.624  174.585   7.5184  180.176   6.8087 -5.591370 10.14319 
1 1 1  -26   11   48 o  311.038   5.3146  659.575   22.374  677.624   32.614  643.529   30.751  315.013   7.6399  307.062   7.3901 7.950714 10.62929 
1 1 1  -26   11   49 o  210.489   5.0151  302.297   14.273  302.854   20.906  301.811   19.534  210.621   7.3246  210.357   6.8525 0.2641296 10.03025 
1 1 1  -26   11   50 o  188.466   5.0272  242.473   12.804  242.616   18.816  242.351   17.474  188.466   7.3674  188.467   6.8419 -0.1129150E-02 10.05435 
1 1 1  -26   11   51 o   96.551   7.8919   62.817   9.9167   59.003   12.250   70.067   16.890   92.624   9.7600  100.478   12.405 -7.854858 15.78388 
1 1 1  -26   11   52 o  189.446   6.3067  246.041   15.348  245.249   18.902  247.574   26.296  189.395   7.3647  189.497   10.240 -0.1025391 12.61337 
1 1 1  -26   11   53 o   80.115   9.5915   47.342   8.7161   42.199   17.021   49.170   10.148   75.629   17.019   84.601   8.8512 -8.972610 19.18297 
1 1 1  -26   11   54 o  115.734   7.1151   89.076   10.061  100.495   19.378   84.861   11.773  120.193   11.898  111.275   7.8071 8.917763 14.23029 
1 1 1  -26   11   55 o  166.523   5.1627  190.145   11.586  187.428   17.244  192.381   15.643  165.339   7.6963  167.706   6.8833 -2.367584 10.32532 
1 1 1  -26   11   56 o   82.310   6.9560   46.939   7.6443   46.342   11.822   47.368   10.021   81.711   10.677   82.909   8.9192 -1.197655 13.91204 
1 1 1  -26   11   57 o  129.104   5.4514  115.163   9.4303  109.259   14.232  119.784   12.591  125.990   8.3357  132.218   7.0274 -6.227219 10.90272 
1 1 1  -26   11   58 o   71.135   8.3408   39.317   7.2638   22.163   10.980   52.667   9.6865   54.815   14.542   87.454   8.1734 -32.63974 16.68155 
1 1 1  -26   11   59 o  198.480   5.0115  271.413   13.424  255.454   19.499  285.794   18.510  192.773   7.4640  204.187   6.6896 -11.41470 10.02308 
1 1 1  -26   11   60 o   44.426   10.727   12.389   7.1479   16.897   13.503   10.634   8.4252   49.265   16.835   39.588   13.299 9.677410 21.45407 
1 1 1  -26   11   61 o  138.604   6.6385  137.033   11.400  124.643   20.287  142.751   13.783  133.131   11.245  144.077   7.0592 -10.94611 13.27691 
1 1 1  -26   11   62 o  199.079   5.0426  272.352   13.572  280.960   20.010  265.019   18.469  201.903   7.3133  196.255   6.9446 5.648224 10.08519 
1 1 1  -26   11   63 o  122.376   5.6401  103.846   9.2853  102.398   13.938  105.001   12.450  121.441   8.4695  123.312   7.4506 -1.870316 11.28028 
1 1 1  -26   11   64 o   96.081   6.1084   64.367   7.9131   63.282   11.734   65.273   10.717   95.197   9.0956   96.965   8.1559 -1.768303 12.21675 
1 1 1  -26   11   65 o   91.410   6.4242   58.445   7.9564   59.745   11.384   57.204   11.124   92.401   9.0918   90.420   9.0787 1.981651 12.84847 
1 1 1  -26   11   66 o   41.294   14.016   12.013   9.3582   12.013   9.3582   0.0000   0.0000   41.294   14.016  ?   ?       ?      ? 
1 1 1  -26   11   67 o  163.668   5.9163  180.463   12.715  161.572   15.812  215.021   21.386  152.403   7.6563  174.933   9.0216 -22.53018 11.83256 
1 1 1  -26   11   68 o   84.179   7.8374   52.022   8.6319   56.609   11.215   45.355   13.520   89.561   9.2407   78.797   12.661 10.76402 15.67475 
1 1 1  -26   11   69 o  104.227   7.0299   78.439   9.6864   83.249   12.667   71.666   15.031  108.772   8.5938   99.681   11.128 9.091614 14.05979 
1 1 1  -26   11   70 o   31.438   9.1624   0.7654   6.7189  -6.1677   9.0375   9.3331   10.046   24.637   11.411   38.240   14.338 -13.60221 18.32476 
1 1 1  -26   11   71 o   74.923   8.6095   42.948   8.1662   47.353   10.588   36.480   12.829   81.426   9.5956   68.420   14.298 13.00659 17.21910 
1 1 1  -26   11   72 o   33.093   9.8250  -1.7638   7.9018   12.045   12.573 -10.7794   10.159   42.176   15.990   24.011   11.421 18.16497 19.64999 
1 1 1  -26   11   73 o   76.686   12.596   43.949   13.090   0.0000   0.0000   43.949   13.090  ?   ?    76.686   12.596      ?      ? 
1 1 1  -26   11   74 o   86.970   11.574   55.910   13.641   0.0000   0.0000   55.910   13.641  ?   ?    86.970   11.574      ?      ? 
1 1 1  -26   11   75 o   58.356   15.005   27.667   11.933   0.0000   0.0000   27.667   11.933  ?   ?    58.356   15.005      ?      ? 
1 1 1  -26   11   76 o   51.757   15.845   22.158   12.155   0.0000   0.0000   22.158   12.155  ?   ?    51.757   15.845      ?      ? 
1 1 1  -26   11   77 o   65.523   14.630   34.774   12.662   0.0000   0.0000   34.774   12.662  ?   ?    65.523   14.630      ?      ? 
1 1 1  -26   12    1 o  197.786   6.1606  274.128   14.956  249.162   27.133  285.025   17.925  190.846   10.491  204.726   6.4611 -13.87981 12.32112 
1 1 1  -26   12    2 o  165.684   4.5890  186.688   10.303  185.857   14.626  187.507   14.515  165.315   6.5289  166.054   6.4504 -0.7396240 9.177933 
1 1 1  -26   12    3 o  143.361   4.8659  142.298   8.9855  148.358   11.233  131.529   14.974  147.772   5.6093  138.949   7.9526 8.822495 9.731765 
1 1 1  -26   12    4 o  329.017   5.7300  740.096   23.111  743.516   27.409  731.682   42.988  330.732   6.1155  327.302   9.6920 3.429535 11.46006 
1 1 1  -26   12    5 o   37.169   11.765   9.3267   6.6416   9.3267   6.6416   0.0000   0.0000   37.169   11.765  ?   ?       ?      ? 
1 1 1  -26   12    6 o   52.383   7.4235   19.314   5.2087   9.8458   7.1295   30.152   7.6282   38.258   12.198   66.508   8.4638 -28.24967 14.84697 
1 1 1  -26   12    7 o   84.272   5.5186   47.891   6.2695   43.625   8.3668   53.353   9.4679   80.040   7.7138   88.505   7.8942 -8.464447 11.03723 
1 1 1  -26   12    8 o  252.593   5.2088  438.298   16.446  444.919   19.836  423.742   29.413  255.899   5.7201  249.286   8.7068 6.613007 10.41768 
1 1 1  -26   12    9 o  178.329   4.8481  213.509   11.137  207.530   13.671  225.306   19.203  174.768   5.7724  181.891   7.7908 -7.123596 9.696239 
1 1 1  -26   12   10 o   93.415   5.5220   58.329   6.9184   48.666   9.1449   71.261   10.579   84.525   7.9838  102.305   7.6309 -17.77997 11.04404 
1 1 1  -26   12   11 o  144.521   5.1029  146.264   9.5406  158.263   12.135  126.847   15.438  152.613   5.8678  136.429   8.3502 16.18417 10.20577 
1 1 1  -26   12   12 o  256.811   5.4057  465.510   17.362  496.129   21.260  404.209   30.082  270.217   5.8060  243.406   9.1201 26.81177 10.81134 
1 1 1  -26   12   13 o  254.207   5.2291  432.801   16.688  421.593   19.998  458.510   30.287  249.079   5.9247  259.336   8.6182 -10.25612 10.45829 
1 1 1  -26   12   14 o  266.597   5.7573  468.579   20.305  417.180   25.570  556.323   33.409  247.536   7.6226  285.658   8.6304 -38.12161 11.51466 
1 1 1  -26   12   15 o  146.615   4.9256  142.532   9.4846  132.229   11.842  160.964   15.840  139.469   6.2658  153.761   7.6018 -14.29156 9.851260 
1 1 1  -26   12   16 o  101.966   5.5697   71.453   7.5591   74.625   9.9353   67.093   11.648  104.732   7.0003   99.199   8.6650 5.533417 11.13944 
1 1 1  -26   12   17 o  176.906   5.0080  213.009   11.496  213.181   14.328  212.697   19.258  177.114   5.9699  176.699   8.0425 0.4147339 10.01602 
1 1 1  -26   12   18 o  265.394   5.3024  470.105   17.574  455.990   20.951  503.615   32.281  259.032   5.9686  271.756   8.7658 -12.72345 10.60489 
1 1 1  -26   12   19 o   83.556   8.1508   47.570   9.2291   47.570   9.2291   0.0000   0.0000   83.556   8.1508  ?   ?       ?      ? 
1 1 1  -26   12   20 o   46.783   12.505   15.545   8.0801   15.545   8.0801   0.0000   0.0000   46.783   12.505  ?   ?       ?      ? 
1 1 1  -26   12   21 o   36.092   8.6004   7.4302   5.4510   1.0111   7.9074   13.243   7.5246   28.822   12.065   43.363   12.259 -14.54161 17.20083 
1 1 1  -26   12   22 o  337.428   5.9390  785.603   24.705  799.557   29.515  752.950   45.149  342.927   6.3512  331.929   10.037 10.99759 11.87809 
1 1 1  -26   12   23 o  139.104   5.2178  133.545   9.4551  138.809   11.971  124.814   15.417  142.896   6.1819  135.313   8.4076 7.583267 10.43563 
1 1 1  -26   12   24 f  160.831   5.0166  172.145   10.487  163.028   12.947  189.545   17.885  154.860   6.1693  166.803   7.9122 -11.94316 10.03311 
1 1 1  -26   12   25 o  201.564   5.1524  278.529   13.237  282.486   16.237  270.688   22.855  203.876   5.8771  199.251   8.4646 4.625366 10.30481 
1 1 1  -26   12   26 o  130.232   5.2595  115.100   8.9922  113.967   11.359  117.004   14.718  129.452   6.4749  131.011   8.2901 -1.559204 10.51902 
1 1 1  -26   12   27 o  225.731   5.1856  342.812   14.774  335.869   17.808  358.145   26.463  222.296   5.9114  229.165   8.5215 -6.869125 10.37116 
1 1 1  -26   12   28 o  315.786   5.7713  677.287   22.463  673.843   26.676  685.680   41.648  314.801   6.2533  316.770   9.7020 -1.968781 11.54267 
1 1 1  -26   12   29 o  209.307   5.6774  294.141   15.926  270.525   20.742  328.055   24.856  199.277   7.6809  219.336   8.3627 -20.05920 11.35479 
1 1 1  -26   12   30 o   86.440   6.3917   49.280   7.3439   38.604   9.4995   65.137   11.578   75.178   9.3245   97.701   8.7447 -22.52336 12.78342 
1 1 1  -26   12   31 o  255.198   5.6021  463.219   17.860  500.156   21.950  390.851   30.724  271.235   5.9718  239.162   9.4799 32.07291 11.20412 
1 1 1  -26   12   32 o  213.934   5.5329  327.150   14.838  358.551   18.384  268.456   25.134  229.652   5.9072  198.215   9.3571 31.43713 11.06573 
1 1 1  -26   12   33 o  392.748   6.4308  1014.76   30.252  973.205   34.998  1137.56   60.164  378.123   6.8301  407.373   10.898 -29.24991 12.86169 
1 1 1  -26   12   34 o  107.819   6.2284   81.210   8.7598   87.215   11.234   71.895   13.992  113.150   7.3265  102.488   10.074 10.66159 12.45674 
1 1 1  -26   12   35 o  196.695   7.5357  263.673   20.086  263.673   20.086   0.0000   0.0000  196.695   7.5357  ?   ?       ?      ? 
1 1 1  -26   12   36 o  222.461   6.0977  336.634   18.382  336.634   18.382   0.0000   0.0000  222.461   6.0977  ?   ?       ?      ? 
1 1 1  -26   12   37 o   81.423   8.0199   47.312   8.3785   56.195   11.437   37.024   12.309   90.645   9.3110   72.202   13.061 18.44332 16.03977 
1 1 1  -26   12   38 o  102.175   6.5004   71.777   8.9210   74.663   11.998   68.211   13.340  104.555   8.4683   99.794   9.8646 4.760948 13.00087 
1 1 1  -26   12   39 o  135.962   5.8423  123.486   10.637  108.436   13.816  145.396   16.670  126.032   8.0893  145.891   8.4317 -19.85970 11.68465 
1 1 1  -26   12   40 o  142.272   5.1509  139.069   9.8274  129.408   14.691  146.893   13.221  137.691   7.8736  146.854   6.6435 -9.162857 10.30190 
1 1 1  -26   12   41 o   75.839   7.0492   38.811   7.1610   43.624   11.208   35.491   9.3087   79.709   10.376   71.969   9.5447 7.740211 14.09846 
1 1 1  -26   12   42 o  229.997   4.9212  359.700   15.297  373.216   22.629  348.328   20.758  233.928   7.1385  226.066   6.7760 7.861176 9.842375 
1 1 1  -26   12   43 o  180.581   4.9695  221.729   12.102  229.198   18.150  215.750   16.238  183.262   7.3083  177.900   6.7357 5.362335 9.938909 
1 1 1  -26   12   44 o  295.872   6.4626  599.878   23.960  600.755   43.008  599.484   28.852  295.370   10.745  296.373   7.1839 -1.002380 12.92513 
1 1 1  -26   12   45 o  108.063   7.4155   82.338   9.6994   75.988   18.051   84.916   11.501  104.654   12.728  111.472   7.6134 -6.817764 14.83105 
1 1 1  -26   12   46 o  115.248   5.6839   90.849   8.7927   91.253   13.398   90.543   11.653  115.395   8.5679  115.101   7.4711 0.2938843 11.36780 
1 1 1  -26   12   47 o  270.814   7.4741  501.460   27.429  501.460   27.429   0.0000   0.0000  270.814   7.4741  ?   ?       ?      ? 
1 1 1  -26   12   48 o  155.641   6.4620  161.092   12.291  179.115   23.603  154.387   14.397  160.977   10.820  150.305   7.0682 10.67189 12.92410 
1 1 1  -26   12   49 o  276.395   6.3830  518.521   22.048  542.860   40.188  508.042   26.370  280.222   10.583  272.569   7.1393 7.652985 12.76599 
1 1 1  -26   12   50 o  195.491   7.4940  263.076   19.796  290.934   29.186  239.342   26.940  205.060   10.503  185.922   10.693 19.13847 14.98802 
1 1 1  -26   12   51 o  247.307   5.1345  419.975   17.155  387.471   24.470  451.389   24.057  237.749   7.5952  256.866   6.9112 -19.11713 10.26897 
1 1 1  -26   12   52 o  106.393   6.0398   76.114   8.6034   94.028   13.317   63.280   11.271  116.919   8.4050   95.868   8.6760 21.05061 12.07961 
1 1 1  -26   12   53 o  148.440   5.2198  150.595   10.445  156.400   15.709  145.995   13.984  150.919   7.6810  145.960   7.0700 4.958771 10.43950 
1 1 1  -26   12   54 o  111.198   5.8716   82.976   8.7315  102.842   13.638   69.176   11.366  122.200   8.2356  100.196   8.3713 22.00444 11.74327 
1 1 1  -26   12   55 o  212.932   5.0159  310.193   14.425  322.793   21.457  299.805   19.484  216.783   7.3040  209.082   6.8768 7.700897 10.03189 
1 1 1  -26   12   56 o  227.891   5.0461  357.587   15.546  341.017   22.423  372.923   21.572  222.664   7.4311  233.118   6.8286 -10.45418 10.09212 
1 1 1  -26   12   57 o  112.556   5.7135   86.777   8.6627   93.769   13.149   81.414   11.515  116.464   8.3313  108.648   7.8209 7.815140 11.42706 
1 1 1  -26   12   58 o  109.553   5.8522   83.229   8.6041   81.753   13.037   84.368   11.452  108.522   8.8650  110.584   7.6423 -2.062546 11.70435 
1 1 1  -26   12   59 o  122.395   6.6130   98.560   10.170  120.523   18.932   89.651   12.057  130.913   10.671  113.877   7.8132 17.03636 13.22599 
1 1 1  -26   12   60 o  158.867   5.1541  174.420   11.051  172.061   16.317  176.419   15.020  157.732   7.6336  160.003   6.9274 -2.271149 10.30825 
1 1 1  -26   12   61 o  112.710   5.8130   89.867   8.7081   75.419   12.872  102.061   11.825  103.870   9.1446  121.550   7.1790 -17.67951 11.62594 
1 1 1  -26   12   62 o  120.893   5.6829  103.681   9.0765   79.753   13.075  125.935   12.610  106.744   9.0391  135.042   6.8905 -28.29852 11.36588 
1 1 1  -26   12   63 o   46.153   10.356   15.391   7.2529   12.535   9.5631   19.259   11.128   41.987   14.168   50.318   15.109 -8.331402 20.71264 
1 1 1  -26   12   64 f  160.101   7.5954  178.286   16.479  178.286   16.479   0.0000   0.0000  160.101   7.5954  ?   ?       ?      ? 
1 1 1  -26   12   65 o   95.449   7.2074   62.664   9.1564   52.903   11.699   78.095   14.710   86.267   10.008  104.630   10.375 -18.36306 14.41479 
1 1 1  -26   12   66 o  106.448   6.5897   78.188   9.3237   70.241   11.868   91.003   15.070   99.828   8.7725  113.067   9.8357 -13.23916 13.17945 
1 1 1  -26   12   67 o   97.781   6.9306   66.523   9.0021   60.087   11.448   76.950   14.571   92.045   9.1783  103.517   10.387 -11.47208 13.86115 
1 1 1  -26   12   68 o   83.319   7.6122   50.519   8.3290   51.564   10.645   48.869   13.374   85.140   9.2266   81.498   12.110 3.641449 15.22431 
1 1 1  -26   12   69 o   42.218   10.124   13.403   7.1073   16.687   9.1683   8.4560   11.251   46.366   13.664   38.069   14.941 8.297661 20.24703 
1 1 1  -26   12   70 o   71.359   10.269   41.829   9.7123   25.552   14.305   55.749   13.229   55.463   17.224   87.256   11.188 -31.79300 20.53854 
1 1 1  -26   12   71 f   99.901   8.5810   75.087   11.416   68.476   17.245   80.244   15.231   94.955   13.402  104.847   10.720 -9.892502 17.16198 
1 1 1  -26   12   72 o   43.095   15.654   13.833   11.812   0.0000   0.0000   13.833   11.812  ?   ?    43.095   15.654      ?      ? 
1 1 1  -26   12   73 o  202.186   9.9340  296.892   27.218   0.0000   0.0000  296.892   27.218  ?   ?   202.186   9.9340      ?      ? 
1 1 1  -26   12   74 o   29.060   13.196  -3.4121   11.301   0.0000   0.0000  -3.4121   11.301  ?   ?    29.060   13.196      ?      ? 
1 1 1  -26   12   75 o   26.585   12.316  -5.9698   10.541   0.0000   0.0000  -5.9698   10.541  ?   ?    26.585   12.316      ?      ? 
1 1 1  -26   13    1 o  234.874   4.7290  375.692   15.043  390.057   21.250  361.263   21.297  239.398   6.5502  230.350   6.8225 9.048813 9.457944 
1 1 1  -26   13    2 o   62.994   7.4529   28.585   6.0046   20.535   8.7436   35.770   8.2606   53.593   12.300   72.395   8.4202 -18.80112 14.90585 
1 1 1  -26   13    3 o  253.656   5.2939  445.333   16.622  455.959   19.950  421.209   30.059  258.986   5.6845  248.326   8.9325 10.66011 10.58786 
1 1 1  -26   13    4 o   77.750   7.5740   41.195   7.9801   41.195   7.9801   0.0000   0.0000   77.750   7.5740  ?   ?       ?      ? 
1 1 1  -26   13    5 o  234.929   5.1110  375.354   14.963  374.505   17.925  377.307   27.174  234.729   5.6353  235.128   8.5282 -0.3991852 10.22191 
1 1 1  -26   13    6 o   75.897   6.0398   38.513   6.0746   28.523   8.0386   51.812   9.2750   64.613   9.1807   87.181   7.8507 -22.56752 12.07967 
1 1 1  -26   13    7 o  154.850   4.9366  165.294   9.8599  170.249   12.300  156.383   16.493  158.258   5.7352  151.442   8.0366 6.816147 9.873159 
1 1 1  -26   13    8 o  185.420   4.8932  232.171   11.586  228.542   14.131  239.611   20.234  183.368   5.6870  187.472   7.9645 -4.104630 9.786442 
1 1 1  -26   13    9 o  199.783   5.0287  275.259   12.731  281.983   15.575  261.721   22.099  203.688   5.6426  195.878   8.3255 7.809418 10.05748 
1 1 1  -26   13   10 o  142.942   5.0122  141.381   9.2983  147.606   11.732  130.867   15.248  147.350   5.8755  138.534   8.1220 8.816467 10.02438 
1 1 1  -26   13   11 o  177.549   4.9263  214.503   11.219  214.308   13.795  214.883   19.278  177.564   5.7331  177.535   8.0128 0.2920532E-01 9.852609 
1 1 1  -26   13   12 o  183.096   5.4749  228.478   13.523  228.646   18.285  228.276   20.092  183.220   7.3645  182.972   8.1033 0.2482758 10.94989 
1 1 1  -26   13   13 o  232.520   5.1781  369.358   15.182  371.359   18.400  365.091   26.874  233.731   5.8091  231.309   8.5735 2.422119 10.35618 
1 1 1  -26   13   14 o  187.682   4.9267  232.885   11.811  220.177   14.292  260.258   20.975  179.967   5.8602  195.396   7.9214 -15.42976 9.853459 
1 1 1  -26   13   15 o  180.625   5.0161  223.966   11.576  227.785   14.246  216.540   19.864  183.061   5.7426  178.188   8.2261 4.872757 10.03226 
1 1 1  -26   13   16 o  146.313   5.1964  148.925   9.7870  156.677   12.261  135.312   16.247  151.803   5.9603  140.823   8.5138 10.98045 10.39278 
1 1 1  -26   13   17 o  216.372   5.0911  312.440   13.903  301.871   16.706  336.247   25.073  210.724   5.8503  222.020   8.3337 -11.29648 10.18213 
1 1 1  -26   13   18 f  175.689   5.9174  209.857   14.088  209.857   14.088   0.0000   0.0000  175.689   5.9174  ?   ?       ?      ? 
1 1 1  -26   13   19 o  168.642   5.0543  191.453   11.013  186.522   13.573  200.954   18.843  165.620   6.0476  171.664   8.0999 -6.044556 10.10855 
1 1 1  -26   13   20 o   76.908   6.4893   39.892   6.7031   33.264   8.9760   48.248   10.079   69.757   9.4955   84.060   8.8477 -14.30353 12.97868 
1 1 1  -26   13   21 o  232.771   5.2155  366.814   15.306  362.899   18.474  375.386   27.335  231.028   5.9009  234.514   8.6013 -3.485931 10.43091 
1 1 1  -26   13   22 o   81.986   6.3574   44.968   6.9803   36.993   9.1987   55.795   10.718   73.575   9.2259   90.397   8.7492 -16.82205 12.71479 
1 1 1  -26   13   23 o  253.717   5.3516  439.449   17.030  440.694   20.534  436.706   30.481  254.573   5.9522  252.861   8.8955 1.712677 10.70323 
1 1 1  -26   13   24 o   69.564   7.1258   33.315   6.6469   34.576   8.8861   31.713   10.015   71.126   9.2194   68.003   10.868 3.123070 14.25150 
1 1 1  -26   13   25 o  244.719   5.2866  402.970   16.204  394.843   19.408  421.677   29.445  240.957   5.9436  248.481   8.7446 -7.524124 10.57330 
1 1 1  -26   13   26 f  142.673   5.3163  140.577   9.8533  145.594   12.418  132.050   16.191  146.284   6.2641  139.062   8.5915 7.222473 10.63265 
1 1 1  -26   13   27 o  197.234   6.5889  262.225   17.319  286.472   27.547  246.376   22.272  204.540   9.9385  189.927   8.6533 14.61250 13.17776 
1 1 1  -26   13   28 o  101.527   7.8252   67.684   10.310   81.506   17.903   60.825   12.612  108.807   12.142   94.247   9.8746 14.55939 15.65032 
1 1 1  -26   13   29 o  272.769   5.8791  508.249   21.147  509.089   26.983  506.911   34.047  273.302   7.2857  272.235   9.2290 1.067291 11.75817 
1 1 1  -26   13   30 o   63.749   8.7267   28.976   7.2526   28.011   10.564   29.836   9.9747   62.610   12.881   64.888   11.777 -2.278111 17.45333 
1 1 1  -26   13   31 o  123.994   5.8571  105.019   9.8125  105.228   13.381  104.775   14.433  124.166   7.9523  123.822   8.6014 0.3443680 11.71426 
1 1 1  -26   13   32 o  169.436   5.3707  201.828   11.686  217.230   14.715  175.533   19.228  178.662   6.0779  160.209   8.8564 18.45256 10.74133 
1 1 1  -26   13   33 o  125.558   6.8524  107.430   11.659  107.430   11.659   0.0000   0.0000  125.558   6.8524  ?   ?       ?      ? 
1 1 1  -26   13   34 o  177.433   6.0953  214.310   14.656  214.310   14.656   0.0000   0.0000  177.433   6.0953  ?   ?       ?      ? 
1 1 1  -26   13   35 o   56.798   9.0782   23.265   6.8052   24.283   9.2137   22.044   10.094   58.287   12.063   55.309   13.570 2.978073 18.15633 
1 1 1  -26   13   36 o  289.487   5.6691  564.204   20.297  552.256   24.073  593.582   37.748  284.752   6.2386  294.222   9.4675 -9.470490 11.33816 
1 1 1  -26   13   37 o  156.968   5.3220  164.206   10.849  154.853   13.369  182.240   18.564  150.730   6.5453  163.206   8.3938 -12.47609 10.64405 
1 1 1  -26   13   38 o  112.265   5.9749   87.120   8.7534   89.593   11.077   83.007   14.284  114.572   7.1345  109.959   9.5862 4.612953 11.94970 
1 1 1  -26   13   39 o  129.542   5.6607  115.709   9.4913  118.007   11.858  111.610   15.834  131.536   6.6524  127.547   9.1609 3.989395 11.32146 
1 1 1  -26   13   40 o   91.986   6.6024   59.588   7.9332   64.869   10.249   51.693   12.531   97.390   7.7654   86.581   10.680 10.80920 13.20490 
1 1 1  -26   13   41 o   91.470   7.3093   57.938   8.9364   46.471   12.471   70.040   12.812   81.984   11.225  100.956   9.3648 -18.97272 14.61853 
1 1 1  -26   13   42 o  176.947   7.7840  214.324   18.665  214.324   18.665   0.0000   0.0000  176.947   7.7840  ?   ?       ?      ? 
1 1 1  -26   13   43 o  137.926   10.744  131.528   20.082   0.0000   0.0000  131.528   20.082  ?   ?   137.926   10.744      ?      ? 
1 1 1  -26   13   44 o   97.467   7.3304   61.207   8.7310   76.173   17.144   55.967   10.145  104.623   12.092   90.312   8.2895 14.31079 14.66080 
1 1 1  -26   13   45 o   53.793   9.6494   24.471   7.6328   2.9471   15.291   31.615   8.8088   39.881   16.741   67.705   9.6010 -27.82382 19.29887 
1 1 1  -26   13   46 o   92.939   6.1732   58.746   7.6709   63.558   12.042   55.459   9.9511   96.017   9.2550   89.862   8.1718 6.155891 12.34632 
1 1 1  -26   13   47 f   51.160   8.6573   20.203   6.3476   8.9567   10.123   27.490   8.1486   39.237   14.455   63.084   9.5320 -23.84744 17.31458 
1 1 1  -26   13   48 o  112.243   6.8922   85.590   10.144   81.138   12.683   93.492   16.899  108.523   8.6240  115.963   10.754 -7.439713 13.78447 
1 1 1  -26   13   49 o  102.697   7.1975   72.107   9.6911   68.975   12.136   77.619   16.099   99.945   8.9608  105.450   11.266 -5.504974 14.39503 
1 1 1  -26   13   50 o  112.811   5.6926   89.514   8.4966   75.992   12.840  100.049   11.333  104.833   9.0381  120.790   6.9234 -15.95682 11.38515 
1 1 1  -26   13   51 o  126.084   5.3374  109.722   9.0275  106.500   13.659  112.221   12.029  124.290   8.1094  127.878   6.9417 -3.587982 10.67472 
1 1 1  -26   13   52 o   69.696   7.2856   32.714   6.7549   40.786   10.878   27.648   8.6176   76.409   10.506   62.982   10.097 13.42721 14.57126 
1 1 1  -26   13   53 f  158.770   5.0493  173.468   10.791  172.755   16.203  174.037   14.465  158.336   7.5517  159.204   6.7046 -0.8683929 10.09854 
1 1 1  -26   13   54 o  122.705   8.1842  104.178   13.609  104.178   13.609   0.0000   0.0000  122.705   8.1842  ?   ?       ?      ? 
1 1 1  -26   13   55 o  187.080   7.3326  241.417   18.590  241.417   18.590   0.0000   0.0000  187.080   7.3326  ?   ?       ?      ? 
1 1 1  -26   13   56 o  117.616   5.4845   95.677   8.6795   96.246   13.087   95.230   11.597  117.784   8.1993  117.449   7.2863 0.3346558 10.96903 
1 1 1  -26   13   57 o   90.408   7.8432   60.236   8.4866   52.628   15.727   63.362   10.080   85.199   13.621   95.617   7.7796 -10.41759 15.68638 
1 1 1  -26   13   58 o   71.124   9.1302   35.421   8.8000   0.0000   0.0000   35.421   8.8000  ?   ?    71.124   9.1302      ?      ? 
1 1 1  -26   13   59 o   33.957   9.3959   5.0808   6.4814   0.8059   9.1605   9.3663   9.1718   29.821   12.755   38.093   13.800 -8.271925 18.79179 
1 1 1  -26   13   60 o  116.645   6.4317   96.696   10.010  103.552   13.376   87.970   15.091  121.831   8.1019  111.459   9.9913 10.37186 12.86339 
1 1 1  -26   13   61 o  100.131   6.6985   70.300   9.0104   66.827   11.871   75.020   13.840   97.442   8.9898  102.819   9.9328 -5.377396 13.39693 
1 1 1  -26   13   62 o   56.750   13.201   24.566   9.9603   24.566   9.9603   0.0000   0.0000   56.750   13.201  ?   ?       ?      ? 
1 1 1  -26   13   63 o   43.548   14.132   14.200   9.5368   14.200   9.5368   0.0000   0.0000   43.548   14.132  ?   ?       ?      ? 
1 1 1  -26   13   64 o   78.134   7.7949   43.663   8.1586   40.703   10.629   47.908   12.729   75.218   10.428   81.051   11.589 -5.832878 15.58988 
1 1 1  -26   13   65 o   51.222   9.5534   18.927   7.0801   10.139   9.2275   31.508   11.040   38.396   13.852   64.048   13.160 -25.65284 19.10671 
1 1 1  -26   13   66 o   45.529   11.145   15.045   8.1932   19.976   13.380   12.087   10.363   50.010   16.760   41.047   14.695 8.963474 22.28963 
1 1 1  -26   13   67 o   82.926   9.9472   55.924   10.303   38.469   15.624   69.357   13.706   68.030   16.996   97.822   10.340 -29.79214 19.89438 
1 1 1  -26   13   68 f  123.649   7.8782  113.913   12.928  101.011   19.547  123.945   17.236  116.171   12.417  131.128   9.6999 -14.95730 15.75631 
1 1 1  -26   13   69 o  135.971   7.9833  139.929   14.212  107.286   20.848  168.266   19.424  119.019   12.926  152.923   9.3730 -33.90407 15.96668 
1 1 1  -26   13   70 o  130.965   10.273  125.180   18.231   0.0000   0.0000  125.180   18.231  ?   ?   130.965   10.273      ?      ? 
1 1 1  -26   13   71 o  123.136   10.515  111.341   17.546   0.0000   0.0000  111.341   17.546  ?   ?   123.136   10.515      ?      ? 
1 1 1  -26   13   72 o  110.182   11.004   90.071   16.431   0.0000   0.0000   90.071   16.431  ?   ?   110.182   11.004      ?      ? 
1 1 1  -26   13   73 o   50.944   15.962   21.884   12.254   0.0000   0.0000   21.884   12.254  ?   ?    50.944   15.962      ?      ? 
1 1 1  -26   13   74 o   97.305   11.781   71.740   15.534   0.0000   0.0000   71.740   15.534  ?   ?    97.305   11.781      ?      ? 
1 1 1  -26   14    1 o  100.061   5.4207   68.507   7.3357   64.806   10.499   72.037   10.254   97.385   7.9554  102.736   7.3654 -5.351601 10.84145 
1 1 1  -26   14    2 o  122.827   7.4152   93.506   10.443   85.614   11.730  123.663   22.929  111.966   7.7308  133.689   12.656 -21.72260 14.83042 
1 1 1  -26   14    3 o   69.385   7.0106   33.038   6.5912   33.654   9.3402   32.427   9.3026   70.036   9.8413   68.734   9.9872 1.301926 14.02127 
1 1 1  -26   14    4 o  204.719   5.1290  289.865   13.124  296.545   15.866  275.389   23.356  208.783   5.6077  200.656   8.5895 8.127090 10.25796 
1 1 1  -26   14    5 o  113.993   5.2571   88.012   7.8443   86.203   9.8425   91.160   12.987  112.497   6.4563  115.489   8.2984 -2.991417 10.51415 
1 1 1  -26   14    6 o   43.013   8.6057   13.146   5.4914   17.853   7.4787   7.6380   8.0891   49.966   11.309   36.061   12.975 13.90556 17.21137 
1 1 1  -26   14    7 o  136.003   5.4147  126.894   9.8752  131.285   13.189  121.291   14.899  138.774   7.0130  133.232   8.2519 5.542313 10.82945 
1 1 1  -26   14    8 o  124.480   5.4525  105.406   9.1448  102.602   12.222  108.972   13.783  122.647   7.3539  126.314   8.0523 -3.666687 10.90500 
1 1 1  -26   14    9 o   75.075   6.8045   38.704   6.8976   34.872   9.7377   42.562   9.7719   71.298   10.078   78.853   9.1448 -7.555504 13.60898 
1 1 1  -26   14   10 o  127.155   6.8170  107.414   11.263  122.573   19.343   99.638   13.854  133.572   10.686  120.738   8.4672 12.83410 13.63396 
1 1 1  -26   14   11 o   48.010   10.385   10.945   6.9640   28.588   14.129   5.2844   8.0036   62.788   16.420   33.231   12.720 29.55679 20.76996 
1 1 1  -26   14   12 o  176.110   5.4136  212.962   12.719  219.822   16.744  203.605   19.557  179.604   6.8797  172.617   8.3604 6.987091 10.82715 
1 1 1  -26   14   13 o  134.972   5.5363  124.939   10.046  129.720   13.545  119.094   14.977  137.927   7.2470  132.017   8.3716 5.909378 11.07259 
1 1 1  -26   14   14 o  184.300   5.1272  235.903   12.060  245.181   14.918  218.404   20.487  189.838   5.7989  178.763   8.4572 11.07491 10.25434 
1 1 1  -26   14   15 o   50.515   8.6747   18.842   6.0585   24.786   8.1908   11.661   9.0027   59.219   10.596   41.811   13.738 17.40766 17.34938 
1 1 1  -26   14   16 o  127.484   6.3610  110.663   10.989  110.663   10.989   0.0000   0.0000  127.484   6.3610  ?   ?       ?      ? 
1 1 1  -26   14   17 o   79.400   6.7820   44.998   6.9448   50.949   8.9630   36.059   10.986   86.404   7.6549   72.397   11.198 14.00747 13.56397 
1 1 1  -26   14   18 o  123.600   5.2924  101.997   8.5355   96.416   10.588  112.356   14.425  118.972   6.5674  128.228   8.3012 -9.256172 10.58486 
1 1 1  -26   14   19 o  140.092   5.1498  130.461   9.3808  122.506   11.570  145.723   16.026  134.125   6.3656  146.058   8.0969 -11.93240 10.29955 
1 1 1  -26   14   20 o   66.318   7.1909   29.876   6.4034   28.036   8.4069   32.419   9.8825   63.949   9.7011   68.687   10.617 -4.738091 14.38179 
1 1 1  -26   14   21 o  116.020   5.5531   90.824   8.4796   87.513   10.692   96.437   13.921  113.300   6.9637  118.739   8.6518 -5.439621 11.10618 
1 1 1  -26   14   22 o  209.943   5.1072  290.399   13.542  273.792   16.206  328.814   24.649  200.561   5.9629  219.327   8.2932 -18.76593 10.21440 
1 1 1  -26   14   23 f   78.791   6.6872   43.247   6.9840   46.680   9.2123   38.606   10.710   82.639   8.2262   74.943   10.545 7.696617 13.37438 
1 1 1  -26   14   24 o  114.134   5.5697   88.749   8.3742   87.977   10.640   90.006   13.575  113.590   6.9120  114.678   8.7355 -1.087601 11.13937 
1 1 1  -26   14   25 o  102.865   6.5119   72.512   9.0757   72.524   12.959   72.501   12.714  102.862   9.2970  102.868   9.1206 -0.5607605E-02 13.02376 
1 1 1  -26   14   26 o  191.116   5.6534  248.651   14.527  242.013   19.259  257.415   22.127  188.259   7.5491  193.974   8.4177 -5.715485 11.30688 
1 1 1  -26   14   27 o  149.429   5.2581  151.639   10.180  149.681   12.627  155.278   17.210  148.221   6.2862  150.637   8.4306 -2.415649 10.51623 
1 1 1  -26   14   28 o   98.129   5.9808   65.424   7.7925   63.556   9.9977   68.315   12.438   96.448   7.6493   99.810   9.1961 -3.361481 11.96163 
1 1 1  -26   14   29 o   96.939   6.0825   63.739   7.8293   61.383   10.029   67.414   12.528   94.759   7.8102   99.119   9.3267 -4.359566 12.16499 
1 1 1  -26   14   30 o  222.095   5.5156  350.528   15.378  376.899   18.951  299.689   26.313  235.228   5.9451  208.961   9.2922 26.26642 11.03125 
1 1 1  -26   14   31 f  112.926   7.1601   87.086   10.957   87.086   10.957   0.0000   0.0000  112.926   7.1601  ?   ?       ?      ? 
1 1 1  -26   14   32 o  217.105   6.0491  321.219   17.797  321.219   17.797   0.0000   0.0000  217.105   6.0491  ?   ?       ?      ? 
1 1 1  -26   14   33 o  124.422   5.5025  102.855   9.0044   94.083   11.250  118.495   15.021  117.359   7.0736  131.484   8.4305 -14.12564 11.00494 
1 1 1  -26   14   34 o  113.274   5.8500   88.766   8.6889   91.430   11.076   84.503   14.011  115.679   7.0654  110.869   9.3257 4.810226 11.69992 
1 1 1  -26   14   35 f  134.592   6.0221  123.929   10.961  118.997   14.931  129.694   16.143  131.726   8.3645  137.459   8.6660 -5.732986 12.04428 
1 1 1  -26   14   36 o   82.001   7.9386   47.782   8.3891   36.162   11.838   59.506   11.890   71.029   12.768   92.974   9.4374 -21.94479 15.87712 
1 1 1  -26   14   37 o   54.485   10.117   21.953   7.6729   16.832   11.443   26.137   10.343   48.903   15.439   60.066   13.077 -11.16276 20.23307 
1 1 1  -26   14   38 o  179.799   5.8137  217.745   14.032  188.680   18.431  257.812   21.641  165.800   8.2034  193.798   8.2402 -27.99739 11.62738 
1 1 1  -26   14   39 o  150.726   5.4009  152.472   10.637  144.080   13.222  167.869   17.909  145.167   6.7211  156.285   8.4561 -11.11781 10.80183 
1 1 1  -26   14   40 o  103.498   6.2051   75.054   8.4507   80.175   10.964   67.559   13.264  108.149   7.4812   98.848   9.9019 9.300880 12.41028 
1 1 1  -26   14   41 o   95.829   6.9151   63.517   8.9799   63.506   12.736   63.528   12.663   95.815   9.8086   95.843   9.7501 -0.2822113E-01 13.83018 
1 1 1  -26   14   42 o  110.684   6.2753   89.051   8.8520  103.249   11.400   67.495   14.047  122.791   6.8513   98.578   10.516 24.21342 12.55051 
1 1 1  -26   14   43 o  102.451   6.0141   68.560   8.1077   56.978   10.100   89.554   13.597   90.980   8.1917  113.922   8.8075 -22.94200 12.02814 
1 1 1  -26   14   44 o  147.301   5.3765  143.061   10.221  130.583   12.441  168.966   17.926  138.070   6.6492  156.533   8.4508 -18.46396 10.75306 
1 1 1  -26   14   45 o  113.738   6.1038   91.378   8.9167   96.423   11.166   82.499   14.814  118.550   6.9505  108.926   10.036 9.623680 12.20767 
1 1 1  -26   14   46 o  158.003   6.4859  171.096   13.887  171.096   13.887   0.0000   0.0000  158.003   6.4859  ?   ?       ?      ? 
1 1 1  -26   14   47 o  117.088   6.9645   92.482   10.657   84.858   13.196  106.781   18.071  110.688   8.7977  123.488   10.799 -12.80034 13.92905 
1 1 1  -26   14   48 o  148.554   6.5730  160.329   11.828  137.004   21.452  170.518   14.178  139.514   11.347  157.595   6.6388 -18.08084 13.14602 
1 1 1  -26   14   49 o  118.351   7.9726   99.340   12.691   87.576   18.190  110.496   17.714  111.144   12.077  125.559   10.411 -14.41529 15.94521 
1 1 1  -26   14   50 o  150.338   6.3472  151.962   12.581  135.887   15.750  180.296   20.910  140.012   8.3011  160.664   9.6041 -20.65213 12.69435 
1 1 1  -26   14   51 o   63.841   8.1822   30.275   6.6947   25.040   10.394   33.988   8.7521   57.902   13.495   69.780   9.2555 -11.87712 16.36434 
1 1 1  -26   14   52 o   76.749   7.2344   43.427   7.0213   33.293   10.590   51.377   9.3795   67.447   12.027   86.050   8.0435 -18.60242 14.46883 
1 1 1  -26   14   53 o  160.295   5.0100  177.543   10.834  177.278   16.084  177.762   14.659  160.038   7.4163  160.552   6.7377 -0.5141754 10.01994 
1 1 1  -26   14   54 o   38.901   9.9744   8.9834   6.9882   4.3037   9.5826   14.299   10.213   33.396   13.557   44.407   14.634 -11.01125 19.94877 
1 1 1  -26   14   55 o  178.760   6.9966  227.188   16.783  213.159   25.036  238.639   22.618  173.118   10.672  184.402   9.0512 -11.28435 13.99317 
1 1 1  -26   14   56 f  134.257   7.3318  127.625   13.217  132.287   20.233  124.156   17.456  136.002   10.978  132.511   9.7212 3.491440 14.66356 
1 1 1  -26   14   57 o   84.269   8.2410   54.230   8.6250   67.392   11.601   37.963   12.897   97.926   8.7421   70.612   13.972 27.31394 16.48193 
1 1 1  -26   14   58 o  123.521   6.1952  107.032   10.237  104.838   13.395  110.114   15.874  122.356   8.0783  124.686   9.3949 -2.330124 12.39046 
1 1 1  -26   14   59 o  132.447   5.9677  119.365   10.515  102.481   13.402  146.401   16.959  120.812   8.1862  144.081   8.6856 -23.26935 11.93542 
1 1 1  -26   14   60 o   31.477   9.2689   2.8705   6.5779   0.9404   9.1085   4.9745   9.5097   29.503   12.671   33.451   13.531 -3.948685 18.53784 
1 1 1  -26   14   61 o  109.869   8.3708   85.200   12.463   85.200   12.463   0.0000   0.0000  109.869   8.3708  ?   ?       ?      ? 
1 1 1  -26   14   62 o   39.712   9.8200   10.505   6.7278   5.5992   9.0927   16.440   10.001   33.433   13.332   45.992   14.421 -12.55875 19.64010 
1 1 1  -26   14   63 o   77.181   9.7914   46.909   9.6745   40.528   15.091   51.361   12.606   70.569   16.132   83.794   11.101 -13.22449 19.58282 
1 1 1  -26   14   64 o   91.461   8.6439   63.496   10.416   55.199   15.924   69.700   13.770   84.973   13.829   97.950   10.374 -12.97780 17.28786 
1 1 1  -26   14   65 o   51.783   11.181   22.697   9.1398   12.539   14.689   29.113   11.675   43.283   17.045   60.283   14.474 -17.00003 22.36135 
1 1 1  -26   14   66 o   76.304   10.140   46.744   10.007   40.155   15.359   51.603   13.191   69.337   16.572   83.271   11.690 -13.93424 20.28022 
1 1 1  -26   14   67 o   46.824   10.159   15.701   8.7894  -2.5386   13.010   31.015   11.921   31.633   14.281   62.015   14.453 -30.38168 20.31826 
1 1 1  -26   14   68 o   85.082   12.477   54.921   14.386   0.0000   0.0000   54.921   14.386  ?   ?    85.082   12.477      ?      ? 
1 1 1  -26   14   69 o   54.384   15.792   24.878   12.326   0.0000   0.0000   24.878   12.326  ?   ?    54.384   15.792      ?      ? 
1 1 1  -26   14   70 o   72.452   14.098   42.227   13.343   0.0000   0.0000   42.227   13.343  ?   ?    72.452   14.098      ?      ? 
1 1 1  -26   14   71 o  127.763   10.751  121.641   18.613   0.0000   0.0000  121.641   18.613  ?   ?   127.763   10.751      ?      ? 
1 1 1  -26   14   72 o   75.630   14.286   46.694   14.105   0.0000   0.0000   46.694   14.105  ?   ?    75.630   14.286      ?      ? 
1 1 1  -26   15    1 f  195.919   5.4461  265.664   14.027  275.100   17.978  250.986   22.424  200.691   6.6106  191.148   8.6568 9.542496 10.89220 
1 1 1  -26   15    2 o   43.558   9.1282   13.235   6.1086   18.908   8.4467   7.0144   8.8447   51.134   12.333   35.982   13.461 15.15208 18.25636 
1 1 1  -26   15    3 o  193.352   5.4514  257.181   13.885  261.250   17.756  250.775   22.279  195.578   6.6994  191.126   8.6017 4.452484 10.90284 
1 1 1  -26   15    4 o   96.350   5.7524   62.115   7.1975   58.601   8.8712   68.884   12.312   92.592   7.0701  100.107   9.0759 -7.514130 11.50475 
1 1 1  -26   15    5 o   95.445   5.6819   62.152   7.0728   61.449   8.8505   63.393   11.766   94.842   6.8862   96.047   9.0397 -1.205139 11.36379 
1 1 1  -26   15    6 o   54.503   8.2705   21.017   5.8537   19.340   7.6016   23.461   9.1755   51.926   11.137   57.081   12.230 -5.155071 16.54099 
1 1 1  -26   15    7 o  245.783   5.3422  417.159   16.242  423.004   19.436  403.632   29.569  249.159   5.7564  242.408   9.0012 6.751038 10.68446 
1 1 1  -26   15    8 o   72.140   7.7335   36.862   7.2862   32.121   10.652   41.030   9.9882   67.054   12.171   77.227   9.5442 -10.17314 15.46701 
1 1 1  -26   15    9 o   89.134   6.7310   54.513   8.0846   62.895   11.748   46.972   11.143   95.690   9.0598   82.579   9.9572 13.11139 13.46200 
1 1 1  -26   15   10 o  105.496   5.4613   74.960   7.6068   71.127   9.6153   81.374   12.436  102.047   6.9532  108.947   8.4236 -6.900116 10.92259 
1 1 1  -26   15   11 o   91.155   5.9152   55.982   7.1799   52.073   9.2033   62.062   11.477   87.228   7.7859   95.081   8.9073 -7.853012 11.83042 
1 1 1  -26   15   12 o  155.408   5.2494  169.371   10.404  178.868   12.927  151.910   17.528  162.012   5.8881  148.804   8.6922 13.20752 10.49878 
1 1 1  -26   15   13 o  121.102   5.4773  101.944   8.5945  106.209   10.819   94.650   14.149  124.778   6.3985  117.425   8.8916 7.352745 10.95450 
1 1 1  -26   15   14 o  161.750   5.9694  178.319   13.084  178.319   13.084   0.0000   0.0000  161.750   5.9694  ?   ?       ?      ? 
1 1 1  -26   15   15 o   98.246   5.9690   65.548   7.6973   63.727   9.6833   68.673   12.686   96.543   7.4015   99.948   9.3665 -3.405457 11.93792 
1 1 1  -26   15   16 o  103.684   5.8901   74.441   7.9244   76.452   9.9512   70.954   13.101  105.799   6.9408  101.569   9.5183 4.230659 11.78019 
1 1 1  -26   15   17 o   96.522   6.0321   64.377   7.6878   66.180   9.9038   61.643   12.194   98.376   7.4290   94.668   9.5055 3.707855 12.06418 
1 1 1  -26   15   18 o   49.437   9.3383   17.545   6.3780   15.829   8.7445   19.495   9.3229   46.975   13.193   51.899   13.219 -4.924206 18.67658 
1 1 1  -26   15   19 o  253.072   5.7961  434.391   19.400  419.003   24.673  459.313   31.400  247.539   7.3552  258.604   8.9600 -11.06436 11.59223 
1 1 1  -26   15   20 o   57.448   9.3345   23.960   7.1054   22.942   10.414   24.847   9.7193   56.196   13.780   58.700   12.595 -2.504272 18.66910 
1 1 1  -26   15   21 o  105.326   6.3305   76.599   8.9856   83.929   12.537   68.856   12.885  110.627   8.3629  100.026   9.5059 10.60051 12.66095 
1 1 1  -26   15   22 o  104.585   6.3899   75.439   9.0231   80.124   12.522   70.379   13.013  108.052   8.5520  101.118   9.4967 6.933731 12.77984 
1 1 1  -26   15   23 o  195.627   7.0293  267.155   18.083  249.171   28.754  278.921   23.258  189.661   11.187  201.593   8.5136 -11.93196 14.05851 
1 1 1  -26   15   24 o   65.872   11.089   27.632   8.9020   43.295   17.559   22.214   10.327   76.490   17.340   55.253   13.826 21.23690 22.17784 
1 1 1  -26   15   25 o  185.545   5.6842  236.345   14.115  238.013   18.599  234.078   21.675  186.495   7.3593  184.595   8.6649 1.900192 11.36833 
1 1 1  -26   15   26 o   88.463   7.0169   54.007   8.4114   54.572   11.884   53.441   11.907   88.936   9.8606   87.989   9.9859 0.9466095 14.03389 
1 1 1  -26   15   27 o  207.412   5.7290  287.670   15.816  257.862   20.190  335.020   25.446  193.989   7.6802  220.836   8.5030 -26.84750 11.45800 
1 1 1  -26   15   28 o  166.700   5.3161  187.273   11.459  180.366   14.105  200.681   19.653  162.503   6.4053  170.897   8.4861 -8.393433 10.63216 
1 1 1  -26   15   29 o  119.366   7.0618   97.508   11.423   97.508   11.423   0.0000   0.0000  119.366   7.0618  ?   ?       ?      ? 
1 1 1  -26   15   30 o  103.439   7.5182   73.341   10.539   73.341   10.539   0.0000   0.0000  103.439   7.5182  ?   ?       ?      ? 
1 1 1  -26   15   31 o  199.810   5.4088  278.054   13.670  286.162   16.728  261.748   23.721  204.725   6.0295  194.895   8.9814 9.830002 10.81758 
1 1 1  -26   15   32 o   97.447   6.0942   62.627   7.8762   50.929   10.011   81.631   12.760   86.012   8.5890  108.881   8.6478 -22.86964 12.18833 
1 1 1  -26   15   33 o  104.340   6.0041   75.312   8.2669   76.602   10.608   73.317   13.192  105.681   7.4074  102.999   9.4513 2.681793 12.00818 
1 1 1  -26   15   34 o   63.956   7.9675   28.437   6.7092   24.259   8.8626   34.045   10.268   57.967   11.686   69.946   10.833 -11.97896 15.93490 
1 1 1  -26   15   35 o   89.145   6.4382   52.424   7.5904   40.528   9.6766   71.449   12.238   76.551   9.3280  101.739   8.8764 -25.18764 12.87637 
1 1 1  -26   15   36 o  122.950   5.6902  102.309   9.1855   97.325   11.513  111.040   15.237  119.106   7.1329  126.795   8.8677 -7.688889 11.38039 
1 1 1  -26   15   37 f  163.316   5.2662  169.084   11.005  143.396   13.182  228.161   19.991  144.645   6.7250  181.987   8.1059 -37.34154 10.53243 
1 1 1  -26   15   38 f  186.201   5.2716  228.239   12.469  210.997   14.957  267.529   22.577  175.552   6.2870  196.850   8.4636 -21.29889 10.54320 
1 1 1  -26   15   39 o   66.493   8.9867   32.036   7.8606   41.211   11.310   23.463   10.933   76.753   10.874   56.233   14.311 20.51976 17.97346 
1 1 1  -26   15   40 o   94.689   6.3137   60.236   7.9046   54.067   9.9509   70.786   13.013   88.463   8.3008  100.915   9.5156 -12.45203 12.62731 
1 1 1  -26   15   41 o  186.485   5.3587  230.624   12.671  215.385   15.199  265.348   22.943  177.240   6.3279  195.730   8.6498 -18.48915 10.71737 
1 1 1  -26   15   42 o   84.799   6.6424   49.369   7.5037   46.522   9.6470   53.730   11.939   81.909   8.6912   87.689   10.047 -5.780289 13.28487 
1 1 1  -26   15   43 f   79.429   6.9724   44.064   7.3009   43.981   9.3124   44.196   11.761   79.615   8.6315   79.242   10.953 0.3723984 13.94489 
1 1 1  -26   15   44 o   34.781   12.871   7.1119   8.0433   7.1119   8.0433   0.0000   0.0000   34.781   12.871  ?   ?       ?      ? 
1 1 1  -26   15   45 o   70.463   9.3430   34.676   8.9213   34.676   8.9213   0.0000   0.0000   70.463   9.3430  ?   ?       ?      ? 
1 1 1  -26   15   46 o   52.241   9.2528   20.817   6.5647   23.746   8.6303   16.796   10.113   56.890   11.588   47.591   14.428 9.299160 18.50559 
1 1 1  -26   15   47 o   78.832   7.0729   43.942   7.3648   44.747   9.4797   42.716   11.697   80.096   8.7338   77.569   11.128 2.526955 14.14586 
1 1 1  -26   15   48 o   65.800   8.0882   29.176   6.7547   15.528   8.5498   51.841   11.018   45.669   13.121   85.931   9.4618 -40.26176 16.17649 
1 1 1  -26   15   49 o   63.736   8.7812   29.651   7.3903   21.187   10.056   39.591   10.898   52.842   13.868   74.629   10.776 -21.78691 17.56245 
1 1 1  -26   15   50 o   50.419   8.0303   15.969   6.8503  -2.0556   9.2493   37.869   10.195   27.776   12.325   73.061   10.297 -45.28513 16.06052 
1 1 1  -26   15   51 o   65.558   8.6080   31.602   7.3549   20.395   10.000   44.807   10.855   51.652   13.956   79.463   10.080 -27.81083 17.21610 
1 1 1  -26   15   52 o   54.351   9.4260   22.798   7.0508   29.156   9.8328   16.068   10.116   62.554   12.036   46.149   14.509 16.40424 18.85199 
1 1 1  -26   15   53 o   33.653   9.7216   4.0669   7.2814  -4.9875   12.703   8.4972   8.8860   30.708   13.962   36.599   13.532 -5.890760 19.44330 
1 1 1  -26   15   54 o   83.702   8.7725   51.059   9.7013   52.920   15.618   49.889   12.379   84.246   13.680   83.157   10.985 1.088821 17.54492 
1 1 1  -26   15   55 o   42.046   10.042   13.001   6.8474   14.911   9.4092   10.851   9.9836   44.317   14.001   39.775   14.400 4.542721 20.08432 
1 1 1  -26   15   56 o   67.886   10.467   36.377   9.2546   35.160   14.351   37.243   12.109   66.016   16.170   69.757   13.295 -3.740868 20.93364 
1 1 1  -26   15   57 o   49.956   16.881   19.800   13.576   19.800   13.576   0.0000   0.0000   49.956   16.881  ?   ?       ?      ? 
1 1 1  -26   15   58 o   40.597   15.825   10.347   12.554   10.347   12.554   0.0000   0.0000   40.597   15.825  ?   ?       ?      ? 
1 1 1  -26   15   59 f   52.389   16.828   22.507   13.550   22.507   13.550   0.0000   0.0000   52.389   16.828  ?   ?       ?      ? 
1 1 1  -26   15   60 o   92.744   9.0848   66.965   10.689   51.599   15.800   79.932   14.515   80.514   15.034  104.973   10.203 -24.45834 18.16955 
1 1 1  -26   15   61 o  117.836   8.1337  105.849   12.395   74.890   17.971  133.941   17.119   99.104   13.382  136.568   9.2501 -37.46358 16.26743 
1 1 1  -26   15   62 o   60.971   10.925   30.714   9.0100   28.814   13.752   32.143   11.926   58.508   16.584   63.434   14.225 -4.925392 21.84937 
1 1 1  -26   15   63 o   61.503   11.144   30.379   9.2741   38.975   14.580   24.538   12.019   68.551   15.989   54.454   15.528 14.09673 22.28831 
1 1 1  -26   15   64 o   33.447   10.047   3.5503   7.9371   0.1265   12.678   5.7570   10.178   32.704   14.475   34.191   13.937 -1.486652 20.09341 
1 1 1  -26   15   65 o   42.499   10.761   11.340   8.3257   23.348   12.987   2.9619   10.848   52.454   16.432   32.544   13.899 19.91006 21.52152 
1 1 1  -26   15   66 f  101.581   10.925   76.770   15.039   0.0000   0.0000   76.770   15.039  ?   ?   101.581   10.925      ?      ? 
1 1 1  -26   15   67 o   29.794   13.232  -0.4841   10.684   0.0000   0.0000  -0.4841   10.684  ?   ?    29.794   13.232      ?      ? 
1 1 1  -26   15   68 o   53.597   16.297   24.989   12.888   0.0000   0.0000   24.989   12.888  ?   ?    53.597   16.297      ?      ? 
1 1 1  -26   15   69 f   40.880   15.871   12.428   12.588   0.0000   0.0000   12.428   12.588  ?   ?    40.880   15.871      ?      ? 
1 1 1  -26   15   70 o   38.579   15.439   10.186   12.238   0.0000   0.0000   10.186   12.238  ?   ?    38.579   15.439      ?      ? 
1 1 1  -26   16    1 o  103.196   5.4403   73.240   7.6044   70.150   10.666   76.435   10.845  100.962   7.7956  105.430   7.5907 -4.468002 10.88067 
1 1 1  -26   16    2 o  100.168   5.5221   68.999   7.4934   66.739   10.470   71.372   10.729   98.481   7.8454  101.855   7.7733 -3.374870 11.04422 
1 1 1  -26   16    3 o   44.434   9.1898   14.237   5.9313   11.975   8.4889   16.394   8.2910   41.453   13.320   47.415   12.664 -5.962017 18.37952 
1 1 1  -26   16    4 o   82.989   6.1891   47.254   6.6416   46.577   8.2194   48.528   11.274   82.362   7.3643   83.616   9.9492 -1.254524 12.37823 
1 1 1  -26   16    5 o  107.237   5.5892   78.367   7.6517   76.934   9.3300   81.311   13.373  106.015   6.4943  108.460   9.0984 -2.444923 11.17839 
1 1 1  -26   16    6 o  156.900   5.7049  170.623   11.972  178.075   15.926  160.941   18.154  161.088   7.2958  152.712   8.7723 8.375534 11.40978 
1 1 1  -26   16    7 o   97.620   5.8368   65.522   7.3542   65.301   9.1053   65.935   12.473   97.622   6.8828   97.619   9.4285 0.3486633E-02 11.67350 
1 1 1  -26   16    8 o  119.862   5.5788  100.475   8.3847  103.491   10.188   94.141   14.762  123.047   6.1097  116.678   9.3361 6.368835 11.15763 
1 1 1  -26   16    9 o   67.551   7.2253   32.638   6.1694   34.204   7.8189   30.055   10.042   70.498   8.1844   64.604   11.909 5.894188 14.45055 
1 1 1  -26   16   10 o   73.599   6.5771   37.513   6.3687   37.741   8.1097   37.145   10.287   74.071   8.0793   73.127   10.381 0.9435577 13.15427 
1 1 1  -26   16   11 o  128.739   5.3104  112.495   8.8371  109.615   10.901  118.017   15.094  126.599   6.3538  130.879   8.5107 -4.279930 10.62087 
1 1 1  -26   16   12 o  186.648   5.8301  237.908   14.746  237.908   14.746   0.0000   0.0000  186.648   5.8301  ?   ?       ?      ? 
1 1 1  -26   16   13 o   76.005   6.8021   39.593   6.8441   38.227   8.7232   41.781   11.039   74.470   8.6440   77.540   10.505 -3.070671 13.60425 
1 1 1  -26   16   14 o  192.435   5.2635  252.459   12.701  249.732   15.265  258.591   22.895  191.214   5.8912  193.656   8.7242 -2.441681 10.52705 
1 1 1  -26   16   15 o  128.929   5.4008  109.561   8.9778  100.224   10.919  129.045   15.773  120.999   6.6592  136.859   8.5048 -15.85961 10.80169 
1 1 1  -26   16   16 o   69.506   7.2006   32.312   6.5948   28.680   8.2435   38.768   10.991   64.393   9.4469   74.619   10.870 -10.22611 14.40117 
1 1 1  -26   16   17 o   72.670   6.9266   35.375   6.6601   31.344   8.3883   42.251   10.955   67.350   9.1908   77.989   10.365 -10.63937 13.85321 
1 1 1  -26   16   18 o  115.794   5.6706   92.895   8.4610   94.460   10.511   90.014   14.259  117.469   6.6032  114.120   9.2206 3.348831 11.34113 
1 1 1  -26   16   19 f   93.847   6.3100   62.940   7.6080   68.909   9.6542   53.158   12.359  100.246   7.1067   87.449   10.429 12.79674 12.61999 
1 1 1  -26   16   20 o  156.513   5.4245  172.934   10.691  181.905   13.120  155.200   18.446  163.160   5.9337  149.865   9.0826 13.29472 10.84902 
1 1 1  -26   16   21 o  113.859   6.2153   89.179   9.5730   83.683   13.093   95.493   14.033  110.106   8.7747  117.612   8.8047 -7.505669 12.43051 
1 1 1  -26   16   22 o   69.793   8.3916   34.655   7.7002   40.510   11.097   29.218   10.694   76.246   10.740   63.340   12.897 12.90639 16.78323 
1 1 1  -26   16   23 o   41.391   9.3656   11.813   5.8948   10.715   7.7976   13.279   9.0054   39.408   12.777   43.373   13.697 -3.964546 18.73117 
1 1 1  -26   16   24 o   95.883   6.0480   59.944   7.5986   50.409   9.3917   78.016   12.929   85.544   8.1016  106.222   8.9821 -20.67817 12.09604 
1 1 1  -26   16   25 o   85.220   6.7095   51.842   7.3603   55.967   9.3150   44.986   12.009   90.211   7.6197   80.228   11.046 9.982628 13.41902 
1 1 1  -26   16   26 o  151.113   5.3750  156.490   10.426  155.251   12.817  158.913   17.927  150.592   6.2806  151.635   8.7244 -1.043732 10.74994 
1 1 1  -26   16   27 o   45.674   12.484   15.207   7.9481   15.207   7.9481   0.0000   0.0000   45.674   12.484  ?   ?       ?      ? 
1 1 1  -26   16   28 o   55.624   11.162   22.385   8.1210   22.385   8.1210   0.0000   0.0000   55.624   11.162  ?   ?       ?      ? 
1 1 1  -26   16   29 o   52.213   8.8911   19.389   6.1579   16.084   7.9639   24.303   9.7106   46.881   12.360   57.546   12.785 -10.66467 17.78229 
1 1 1  -26   16   30 o   92.909   6.3929   61.692   7.5856   66.165   9.4987   53.818   12.604   98.101   7.1451   87.717   10.603 10.38441 12.78578 
1 1 1  -26   16   31 o  152.888   5.4107  162.897   10.470  166.327   12.793  155.941   18.219  155.836   6.0580  149.939   8.9668 5.897049 10.82137 
1 1 1  -26   16   32 o   68.689   7.9701   35.427   6.8146   40.912   8.7747   27.092   10.817   76.884   8.4220   60.495   13.534 16.38857 15.94021 
1 1 1  -26   16   33 o  106.121   5.7780   75.757   8.0160   70.270   9.9439   85.940   13.546  101.011   7.2645  111.230   8.9871 -10.21954 11.55600 
1 1 1  -26   16   34 o   97.017   5.9903   63.534   7.6505   58.505   9.5824   72.377   12.706   92.055   7.6815  101.979   9.1939 -9.924339 11.98053 
1 1 1  -26   16   35 o   42.646   8.2065   10.163   5.8078  -0.4871   7.5829   25.275   9.0329   26.473   11.466   58.819   11.744 -32.34594 16.41301 
1 1 1  -26   16   36 o   74.719   7.6981   42.305   7.0554   50.246   9.1313   30.541   11.114   85.209   7.9079   64.228   13.210 20.98166 15.39618 
1 1 1  -26   16   37 f   73.387   8.2882   38.806   7.9541   46.400   11.454   31.733   11.054   81.215   10.407   65.558   12.902 15.65788 16.57642 
1 1 1  -26   16   38 o  112.448   5.7278   83.620   8.3958   73.779   10.315  102.942   14.453  103.331   7.3662  121.564   8.7733 -18.23299 11.45559 
1 1 1  -26   16   39 o   38.226   8.9724   7.7472   5.9314   0.7832   7.7245   17.753   9.2591   27.718   11.780   48.733   13.537 -21.01513 17.94486 
1 1 1  -26   16   40 o   54.701   9.1687   22.002   6.5522   20.650   8.3276   24.201   10.616   52.803   11.920   56.599   13.934 -3.795990 18.33749 
1 1 1  -26   16   41 o   73.760   8.0429   38.609   7.7980   32.526   10.368   46.533   11.833   66.538   11.937   80.982   10.783 -14.44428 16.08583 
1 1 1  -26   16   42 o   68.753   10.905   33.634   10.160   33.634   10.160   0.0000   0.0000   68.753   10.905  ?   ?       ?      ? 
1 1 1  -26   16   43 o   58.388   12.399   25.445   9.5078   25.445   9.5078   0.0000   0.0000   58.388   12.399  ?   ?       ?      ? 
1 1 1  -26   16   44 o   53.421   9.6961   22.119   7.1374   25.810   9.5791   17.513   10.702   58.736   12.423   48.107   14.891 10.62952 19.39223 
1 1 1  -26   16   45 o  114.423   6.2777   87.080   9.4620   66.782   11.945  121.264   15.502   97.405   9.0497  131.441   8.7031 -34.03531 12.55547 
1 1 1  -26   16   46 o  111.837   6.3517   85.254   9.4642   72.006   12.128  105.885   15.135  101.153   8.8476  122.522   9.1156 -21.36943 12.70332 
1 1 1  -26   16   47 o   93.596   7.1441   59.457   8.6672   39.531   11.119   90.316   13.837   74.083   11.075  113.109   9.0273 -39.02604 14.28816 
1 1 1  -26   16   48 o   80.320   7.5560   45.642   8.1522   38.709   10.825   54.725   12.391   73.292   10.899   87.348   10.468 -14.05572 15.11193 
1 1 1  -26   16   49 o  114.767   6.4540   91.478   9.9196   81.302   12.879  106.320   15.554  107.225   8.8631  122.309   9.3842 -15.08333 12.90809 
1 1 1  -26   16   50 o   83.262   7.5758   47.997   8.3092   35.234   10.700   67.388   13.189   69.574   11.349   96.950   10.038 -27.37653 15.15151 
1 1 1  -26   16   51 o   74.075   10.100   44.579   9.5163   32.780   15.062   52.419   12.277   63.027   17.169   85.123   10.643 -22.09641 20.20020 
1 1 1  -26   16   52 o   57.562   11.063   25.903   8.7484   32.246   13.888   21.731   11.264   62.925   16.192   52.198   15.079 10.72637 22.12594 
1 1 1  -26   16   53 o   32.863   9.6573   3.3230   7.3500  -3.2290   11.619   7.6940   9.4901   29.899   13.497   35.826   13.816 -5.926668 19.31458 
1 1 1  -26   16   54 f   36.421   10.161   7.4463   7.5049   3.0903   11.961   10.275   9.6381   34.272   14.615   38.570   14.120 -4.297287 20.32144 
1 1 1  -26   16   55 o   50.968   10.847   21.157   8.1254   18.981   12.427   22.781   10.739   48.612   16.149   53.325   14.485 -4.712749 21.69369 
1 1 1  -26   16   56 o   58.012   9.9081   27.857   8.7660   10.582   13.078   41.950   11.812   40.787   16.076   75.236   11.586 -34.44846 19.81616 
1 1 1  -26   16   57 o   43.880   16.012   14.536   12.380   14.536   12.380   0.0000   0.0000   43.880   16.012  ?   ?       ?      ? 
1 1 1  -26   16   58 o   28.802   9.2340  -4.6389   7.6734   1.8865   12.173  -8.9415   9.8846   33.376   14.492   24.229   11.448 9.147728 18.46798 
1 1 1  -26   16   59 o   59.595   10.906   30.204   9.1645   21.340   13.674   37.433   12.348   50.457   16.943   68.733   13.738 -18.27620 21.81244 
1 1 1  -26   16   60 o   69.218   10.411   39.244   9.5713   33.125   14.410   44.075   12.804   62.235   16.727   76.201   12.399 -13.96675 20.82118 
1 1 1  -26   16   61 o   35.073   10.388   3.9567   8.3925   10.561   12.761  -1.0777   11.141   40.039   15.849   30.106   13.432 9.932781 20.77528 
1 1 1  -26   16   62 f   37.121   10.640   7.8154   8.3140   9.6488   12.299   6.2727   11.282   38.873   15.505   35.370   14.574 3.502575 21.27903 
1 1 1  -26   16   63 o   51.932   11.911   23.403   9.5620   24.962   14.096   22.074   13.014   53.248   17.171   50.616   16.512 2.631989 23.82172 
1 1 1  -26   16   64 o   98.819   12.320   75.228   16.498   0.0000   0.0000   75.228   16.498  ?   ?    98.819   12.320      ?      ? 
1 1 1  -26   16   67 o   46.566   17.299   19.306   14.557   0.0000   0.0000   19.306   14.557  ?   ?    46.566   17.299      ?      ? 
1 1 1  -26   16   68 o   45.876   16.624   18.853   13.310   0.0000   0.0000   18.853   13.310  ?   ?    45.876   16.624      ?      ? 
1 1 1  -26   17    1 o  110.422   5.4394   84.200   8.1143   75.440   11.210   93.841   11.760  104.330   7.9292  116.514   7.4482 -12.18440 10.87876 
1 1 1  -26   17    2 o   75.816   6.6919   40.192   6.7801   31.986   9.3494   49.294   9.8471   67.455   10.228   84.178   8.6323 -16.72344 13.38386 
1 1 1  -26   17    3 o   45.482   10.678   12.110   7.5367   23.424   13.282   6.7367   9.1529   55.501   16.470   35.464   13.596 20.03703 21.35669 
1 1 1  -26   17    4 o  140.077   5.7074  134.045   10.674  125.419   13.782  146.974   16.874  134.721   7.5493  145.434   8.5617 -10.71300 11.41470 
1 1 1  -26   17    5 o   96.191   5.7960   60.741   7.1623   54.207   8.6517   74.973   12.768   88.655   7.2013  103.726   9.0838 -15.07063 11.59202 
1 1 1  -26   17    6 o   97.386   5.8024   62.362   7.2265   56.224   8.6976   76.047   12.986   90.318   7.1063  104.453   9.1745 -14.13414 11.60478 
1 1 1  -26   17    7 o   56.341   8.2383   23.538   5.8870   24.991   7.2825   20.796   10.001   59.923   8.9681   52.758   13.822 7.164753 16.47666 
1 1 1  -26   17    8 o   28.132   8.0888   2.0006   5.0834   5.5832   6.4568  -3.8405   8.2446   31.168   11.533   25.095   11.345 6.073387 16.17764 
1 1 1  -26   17    9 o   29.219   11.529   3.6942   6.7332   3.6942   6.7332   0.0000   0.0000   29.219   11.529  ?   ?       ?      ? 
1 1 1  -26   17   10 o  133.720   6.0325  122.617   10.931  122.617   10.931   0.0000   0.0000  133.720   6.0325  ?   ?       ?      ? 
1 1 1  -26   17   11 o  117.390   5.7135   98.486   8.3550  104.066   10.184   86.997   14.612  123.176   6.1011  111.604   9.6619 11.57150 11.42694 
1 1 1  -26   17   12 f   56.297   8.4434   24.637   6.1027   28.866   7.6201   17.075   10.191   64.467   8.7225   48.127   14.460 16.33974 16.88681 
1 1 1  -26   17   13 o   35.872   9.1575   8.0434   5.6232   8.9158   7.0521   6.5203   9.3180   36.251   12.167   35.493   13.689 0.7574348 18.31496 
1 1 1  -26   17   14 o   72.299   6.8429   34.359   6.4747   28.577   7.9871   45.443   11.058   64.055   9.2014   80.543   10.131 -16.48856 13.68576 
1 1 1  -26   17   15 o  122.079   5.5072  100.851   8.5811   96.793   10.412  109.442   15.151  118.703   6.4729  125.456   8.9116 -6.753563 11.01434 
1 1 1  -26   17   16 o  131.942   5.3595  117.870   9.0437  113.360   10.999  127.280   15.888  128.499   6.3167  135.385   8.6600 -6.886337 10.71898 
1 1 1  -26   17   17 f   26.089   7.9081  -1.2885   5.3384   3.6984   7.1011  -7.7698   8.0954   29.751   11.808   22.426   10.522 7.324602 15.81614 
1 1 1  -26   17   18 o   41.826   8.8686   10.686   5.6415   4.9427   7.1078   20.463   9.2742   31.173   11.974   52.480   13.086 -21.30659 17.73712 
1 1 1  -26   17   19 o   59.921   8.9461   26.323   7.1996   18.810   10.081   34.144   10.285   50.240   14.185   69.603   10.904 -19.36325 17.89227 
1 1 1  -26   17   20 f   96.245   6.0297   63.057   7.5410   60.040   9.3214   68.770   12.829   93.273   7.3747   99.217   9.5417 -5.943993 12.05946 
1 1 1  -26   17   21 o   95.989   6.0959   63.207   7.6540   60.969   9.5696   67.179   12.752   93.949   7.5165   98.029   9.5990 -4.079796 12.19181 
1 1 1  -26   17   22 o  133.114   5.4977  121.521   9.3857  119.310   11.502  125.930   16.238  131.747   6.4422  134.480   8.9105 -2.732666 10.99542 
1 1 1  -26   17   23 o   47.775   9.0525   17.697   6.2143   22.370   7.9733   10.466   9.9183   55.410   11.007   40.141   14.375 15.26900 18.10497 
1 1 1  -26   17   24 o   74.204   7.0560   38.049   6.9298   36.009   8.7997   41.378   11.244   71.856   9.0369   76.551   10.839 -4.694855 14.11190 
1 1 1  -26   17   25 o  106.208   7.0356   77.809   10.126   77.809   10.126   0.0000   0.0000  106.208   7.0356  ?   ?       ?      ? 
1 1 1  -26   17   26 o  118.250   5.7505   95.258   8.7118   91.665   10.619  102.655   15.237  115.330   6.7942  121.170   9.2796 -5.839272 11.50095 
1 1 1  -26   17   27 o   33.196   8.9669   5.5739   5.8324   8.9420   7.6616   0.9321   8.9944   36.594   12.673   29.798   12.689 6.796154 17.93384 
1 1 1  -26   17   28 o   47.371   9.0676   17.524   6.1663   21.750   7.8177   10.564   10.031   54.541   10.958   40.200   14.450 14.34127 18.13513 
1 1 1  -26   17   29 o   83.287   6.5466   44.236   7.0446   33.950   8.5576   65.860   12.408   69.669   9.0642   96.905   9.4484 -27.23582 13.09318 
1 1 1  -26   17   30 o   81.833   7.2413   45.996   7.9195   38.958   10.249   56.425   12.476   74.296   10.180   89.371   10.301 -15.07488 14.48270 
1 1 1  -26   17   31 o   80.957   7.2421   45.791   7.8882   42.039   10.421   50.824   12.071   77.210   9.9600   84.705   10.516 -7.494698 14.48417 
1 1 1  -26   17   32 o   77.157   7.4924   41.525   7.7464   34.057   10.293   51.280   11.764   69.162   10.982   85.152   10.195 -15.98940 14.98471 
1 1 1  -26   17   33 o  138.801   5.9280  131.148   10.948  117.900   13.968  152.252   17.630  130.160   7.9190  147.442   8.8236 -17.28268 11.85608 
1 1 1  -26   17   34 f  168.371   7.2236  205.822   16.017  160.600   23.472  245.226   21.910  149.572   11.580  187.170   8.6382 -37.59833 14.44719 
1 1 1  -26   17   35 o   58.816   10.652   23.409   8.6631   42.423   14.727   13.347   10.713   74.299   15.141   43.333   14.987 30.96551 21.30358 
1 1 1  -26   17   36 o  117.141   6.1789   93.484   9.6448   81.245   12.341  112.685   15.459  107.711   8.4551  126.572   9.0126 -18.86048 12.35788 
1 1 1  -26   17   37 o   51.181   9.9215   19.996   7.0653   18.861   9.5574   21.364   10.491   49.695   13.734   52.667   14.322 -2.971550 19.84306 
1 1 1  -26   17   38 o   96.114   6.7800   63.927   8.7151   52.230   11.434   80.142   13.463   85.756   9.8391  106.473   9.3308 -20.71777 13.55991 
1 1 1  -26   17   39 o   51.092   9.5699   20.510   7.0843   27.410   9.5772   12.173   10.528   60.478   12.108   41.705   14.823 18.77359 19.13985 
1 1 1  -26   17   40 o   86.903   9.2955   53.512   10.947   53.512   10.947   0.0000   0.0000   86.903   9.2955  ?   ?       ?      ? 
1 1 1  -26   17   41 f   59.738   12.107   26.865   9.4651   26.865   9.4651   0.0000   0.0000   59.738   12.107  ?   ?       ?      ? 
1 1 1  -26   17   42 o   61.449   8.7570   26.953   7.2659   13.337   9.4538   46.603   11.357   42.382   14.085   80.517   10.409 -38.13512 17.51403 
1 1 1  -26   17   43 o   50.182   9.6453   18.377   6.9281   11.464   9.0343   28.246   10.795   39.904   13.765   60.461   13.515 -20.55757 19.29053 
1 1 1  -26   17   44 o   53.484   9.5740   22.875   7.1956   29.428   9.7353   14.984   10.683   62.483   11.933   44.486   14.975 17.99733 19.14806 
1 1 1  -26   17   45 o   76.035   7.8064   41.781   7.9887   39.479   10.592   44.819   12.167   73.837   10.586   78.232   11.476 -4.394905 15.61271 
1 1 1  -26   17   46 o   80.284   9.3397   49.553   9.6539   45.422   14.950   52.508   12.644   75.711   15.101   84.858   10.995 -9.147316 18.67934 
1 1 1  -26   17   47 o   68.489   10.016   36.006   8.8694   42.052   14.024   31.976   11.450   72.945   14.695   64.033   13.615 8.911682 20.03269 
1 1 1  -26   17   48 o   41.183   9.8598   11.367   7.6741  -1.7476   11.788   21.013   10.110   30.903   13.800   51.462   14.086 -20.55926 19.71964 
1 1 1  -26   17   49 o  137.132   9.6388  135.483   17.912   0.0000   0.0000  135.483   17.912  ?   ?   137.132   9.6388      ?      ? 
1 1 1  -26   17   50 o   52.922   11.397   23.445   8.9065   20.028   14.665   25.442   11.211   49.637   17.511   56.206   14.591 -6.568748 22.79329 
1 1 1  -26   17   51 o   31.415   9.6965   0.8883   7.6457   0.5629   12.230   1.0971   9.7958   32.668   14.347   30.161   13.048 2.506470 19.39304 
1 1 1  -26   17   52 o   69.516   10.198   40.881   9.5084   22.935   14.174   55.568   12.822   52.174   17.242   86.858   10.893 -34.68364 20.39505 
1 1 1  -26   17   53 o   41.094   10.817   12.256   8.0793   9.9961   12.539   13.860   10.565   39.700   15.712   42.488   14.872 -2.787109 21.63433 
1 1 1  -26   17   54 o   54.483   11.492   24.478   9.2339   31.689   13.846   18.702   12.392   61.189   16.376   47.777   16.128 13.41257 22.98445 
1 1 1  -26   17   55 o   33.545   14.541   2.3504   12.216   2.3504   12.216   0.0000   0.0000   33.545   14.541  ?   ?       ?      ? 
1 1 1  -26   17   56 o   80.395   9.9171   52.425   10.233   42.926   15.418   59.905   13.681   71.271   16.316   89.518   11.278 -18.24686 19.83419 
1 1 1  -26   17   57 o   35.715   10.501   6.0932   8.4138   2.9963   13.156   8.2365   10.945   34.684   15.063   36.747   14.636 -2.063492 21.00204 
1 1 1  -26   17   58 o   39.882   10.683   7.9413   8.5963   21.761   13.300  -1.9752   11.266   50.217   16.707   29.546   13.319 20.67156 21.36628 
1 1 1  -26   17   59 o   45.241   11.070   16.441   8.8735   7.6227   12.961   24.220   12.174   37.418   15.537   53.063   15.773 -15.64505 22.14008 
1 1 1  -26   17   60 o   47.644   10.767   18.414   9.3054   2.2823   13.936   31.393   12.500   34.537   15.236   60.750   15.217 -26.21299 21.53351 
1 1 1  -26   17   61 f   36.742   10.811   7.5361   8.8765   7.3962   13.163   7.6528   12.021   37.035   15.539   36.448   15.034 0.5867462 21.62137 
1 1 1  -26   17   62 o   30.547   13.700  -0.4304   11.749   0.0000   0.0000  -0.4304   11.749  ?   ?    30.547   13.700      ?      ? 
1 1 1  -26   17   63 o   50.176   16.885   23.191   13.582   0.0000   0.0000   23.191   13.582  ?   ?    50.176   16.885      ?      ? 
1 1 1  -26   17   64 o   45.811   16.560   18.968   13.196   0.0000   0.0000   18.968   13.196  ?   ?    45.811   16.560      ?      ? 
1 1 1  -26   17   65 o   32.518   14.377   2.6172   12.474   0.0000   0.0000   2.6172   12.474  ?   ?    32.518   14.377      ?      ? 
1 1 1  -26   17   66 o   37.656   15.611   10.124   13.056   0.0000   0.0000   10.124   13.056  ?   ?    37.656   15.611      ?      ? 
1 1 1  -26   18    1 o   83.602   9.2090   49.388   10.433   0.0000   0.0000   49.388   10.433  ?   ?    83.602   9.2090      ?      ? 
1 1 1  -26   18    2 o   27.065   8.3140  -0.6682   5.7934  -4.8084   8.8652   2.4177   7.6538   25.249   11.550   28.881   11.961 -3.631947 16.62792 
1 1 1  -26   18    3 f   48.374   10.317   17.924   7.3360   16.836   10.635   18.911   10.133   47.114   14.885   49.634   14.291 -2.519547 20.63460 
1 1 1  -26   18    4 o   81.585   6.7892   46.031   7.3677   41.754   9.4001   52.845   11.864   76.995   9.0092   86.175   10.159 -9.180481 13.57850 
1 1 1  -26   18    5 o   46.110   9.4304   16.256   6.2114   17.635   7.9749   14.130   9.9037   48.415   12.169   43.805   14.410 4.610229 18.86085 
1 1 1  -26   18    6 o   74.922   8.7517   39.424   8.8856   39.424   8.8856   0.0000   0.0000   74.922   8.7517  ?   ?       ?      ? 
1 1 1  -26   18    7 o   84.765   8.5457   50.366   9.8163   50.366   9.8163   0.0000   0.0000   84.765   8.5457  ?   ?       ?      ? 
1 1 1  -26   18    8 o  139.109   5.7580  134.301   10.500  131.670   13.219  138.800   17.285  137.788   7.0793  140.429   9.0831 -2.640976 11.51605 
1 1 1  -26   18    9 o   54.002   9.1403   21.391   6.5630   17.348   8.5408   27.221   10.256   47.925   12.876   60.079   12.976 -12.15413 18.28068 
1 1 1  -26   18   10 o   51.222   9.2396   20.036   6.4200   21.352   8.5158   18.303   9.7718   53.416   12.051   49.028   14.009 4.388279 18.47912 
1 1 1  -26   18   11 o   48.633   9.5117   17.945   6.4486   18.163   8.5544   17.658   9.8142   49.053   12.751   48.213   14.117 0.8400002 19.02335 
1 1 1  -26   18   12 f   55.264   9.0483   24.418   7.0471   32.978   9.2083   12.318   10.948   68.215   9.9613   42.313   15.108 25.90201 18.09663 
1 1 1  -26   18   13 o   64.579   8.7810   31.720   7.2838   35.297   9.4197   26.400   11.487   70.610   9.8443   58.548   14.544 12.06223 17.56204 
1 1 1  -26   18   14 o   61.910   8.3595   25.373   7.1024   7.9832   8.9924   54.211   11.580   36.283   13.573   87.537   9.7619 -51.25358 16.71905 
1 1 1  -26   18   15 o   44.891   8.7544   14.975   6.6904   25.810   8.7569  -0.2184   10.369   59.137   11.340   30.644   13.340 28.49335 17.50871 
1 1 1  -26   18   16 o   44.621   10.493   14.535   7.9552   5.6811   12.593   20.414   10.262   37.619   15.437   51.622   14.217 -14.00279 20.98636 
1 1 1  -26   18   17 o   81.183   8.8317   47.126   9.5093   51.786   15.347   44.221   12.116   83.925   13.494   78.440   11.398 5.484711 17.66335 
1 1 1  -26   18   18 o  132.017   5.9503  120.797   10.380  116.643   13.192  127.549   16.820  129.497   7.5175  134.537   9.2256 -5.040329 11.90061 
1 1 1  -26   18   19 o   80.687   7.1057   45.530   7.6670   42.191   9.9317   50.455   12.062   77.282   9.4833   84.093   10.584 -6.810242 14.21137 
1 1 1  -26   18   20 o   77.895   7.7124   42.089   7.6029   28.118   9.8231   62.961   12.007   61.358   12.243   94.433   9.3825 -33.07526 15.42482 
1 1 1  -26   18   21 o   34.773   9.4709   6.6460   6.2655   6.0732   8.3730   7.3750   9.4451   33.557   12.967   35.989   13.808 -2.432289 18.94175 
1 1 1  -26   18   22 o   63.305   11.814   29.750   9.7620   29.750   9.7620   0.0000   0.0000   63.305   11.814  ?   ?       ?      ? 
1 1 1  -26   18   23 o   55.076   12.524   22.896   9.1358   22.896   9.1358   0.0000   0.0000   55.076   12.524  ?   ?       ?      ? 
1 1 1  -26   18   24 o   25.607   8.1225  -3.3750   5.9715   0.1988   8.1896  -7.4319   8.7258   27.713   11.960   23.501   10.994 4.211851 16.24500 
1 1 1  -26   18   25 o   65.887   8.5170   30.668   7.2575   17.812   9.3947   49.696   11.429   48.260   13.717   83.514   10.099 -35.25373 17.03393 
1 1 1  -26   18   26 o   67.154   8.5808   33.261   7.4523   30.942   9.7782   36.475   11.511   64.586   11.598   69.721   12.649 -5.135414 17.16160 
1 1 1  -26   18   27 o   78.020   7.4537   42.662   7.7913   36.759   10.156   51.107   12.147   71.639   10.461   84.400   10.620 -12.76138 14.90731 
1 1 1  -26   18   28 o   35.158   9.6163   6.9166   6.5110   6.5607   8.9910   7.3089   9.4413   34.563   13.414   35.754   13.782 -1.191414 19.23267 
1 1 1  -26   18   29 o   41.629   9.8856   12.712   6.6559   14.788   8.9195   10.104   9.9981   44.193   13.581   39.066   14.369 5.126953 19.77130 
1 1 1  -26   18   30 o   41.933   9.9519   12.450   6.7144   9.1980   8.9543   16.627   10.149   37.318   13.618   46.549   14.516 -9.231457 19.90372 
1 1 1  -26   18   31 o   60.270   9.2053   26.720   7.2668   20.070   9.4183   36.502   11.423   50.974   13.442   69.566   12.580 -18.59157 18.41061 
1 1 1  -26   18   32 o   58.532   10.919   26.097   8.7305   35.070   13.922   20.281   11.208   66.302   15.732   50.763   15.145 15.53918 21.83707 
1 1 1  -26   18   33 o   62.442   9.0680   30.259   7.4090   34.160   9.7127   24.830   11.458   68.869   10.407   56.016   14.853 12.85245 18.13605 
1 1 1  -26   18   34 o   45.115   9.7312   14.679   6.6435   9.3928   8.7159   22.008   10.263   37.232   13.458   52.998   14.059 -15.76617 19.46234 
1 1 1  -26   18   35 o   48.531   9.8027   17.599   6.8284   12.819   8.9450   24.276   10.571   41.438   13.698   55.624   14.026 -14.18604 19.60538 
1 1 1  -26   18   36 o   33.787   9.8570   3.7557   7.3326   8.1961   11.177   0.4003   9.7157   37.776   14.871   29.798   12.942 7.977846 19.71392 
1 1 1  -26   18   37 o   75.927   9.5335   43.985   9.5830   43.950   13.984   44.017   13.158   75.021   14.277   76.833   12.638 -1.812347 19.06691 
1 1 1  -26   18   38 f   47.551   15.894   17.794   12.033   17.794   12.033   0.0000   0.0000   47.551   15.894  ?   ?       ?      ? 
1 1 1  -26   18   39 o   56.310   10.711   25.194   8.3474   29.972   12.578   21.433   11.159   60.942   15.263   51.678   15.031 9.264030 21.42200 
1 1 1  -26   18   40 o   56.136   10.832   25.360   8.4207   27.536   12.747   23.676   11.217   58.012   15.791   54.260   14.831 3.751595 21.66371 
1 1 1  -26   18   41 o   66.544   10.412   34.911   9.0827   39.728   13.877   31.301   12.013   70.425   15.000   62.663   14.443 7.761803 20.82352 
1 1 1  -26   18   42 o  110.898   7.7065   90.936   11.445   83.073   16.987   97.472   15.488  105.693   11.860  116.103   9.8439 -10.40965 15.41292 
1 1 1  -26   18   43 o   61.559   10.919   30.555   8.9855   34.029   14.038   28.143   11.695   64.055   16.170   59.063   14.677 4.992287 21.83745 
1 1 1  -26   18   44 o   32.311   9.6789   2.1203   7.6867  -5.7261   12.079   7.4606   9.9649   28.911   13.320   35.710   14.046 -6.798870 19.35785 
1 1 1  -26   18   45 o   37.462   10.495   8.2662   8.0342   4.2834   12.451   11.107   10.516   35.298   14.977   39.626   14.707 -4.328701 20.99064 
1 1 1  -26   18   46 o   91.450   10.290   72.739   11.183   34.230   16.564  104.992   15.159   62.254   18.372  120.647   9.2718 -58.39365 20.57908 
1 1 1  -26   18   47 o   99.466   11.003   73.251   14.831   0.0000   0.0000   73.251   14.831  ?   ?    99.466   11.003      ?      ? 
1 1 1  -26   18   48 f   56.544   9.4239   25.387   9.1085   0.6449   13.283   47.347   12.514   33.587   14.843   79.501   11.616 -45.91407 18.84775 
1 1 1  -26   18   49 o   65.367   10.100   36.493   9.2838   17.815   13.674   52.464   12.644   46.789   16.866   83.945   11.115 -37.15595 20.19912 
1 1 1  -26   18   50 o   40.011   10.444   11.086   8.0498   2.7457   12.166   17.581   10.736   33.649   14.549   46.373   14.988 -12.72445 20.88804 
1 1 1  -26   18   51 o   51.194   11.405   21.874   8.8222   26.716   13.408   18.179   11.715   55.552   16.563   46.837   15.683 8.715435 22.80939 
1 1 1  -26   18   52 o   38.112   15.473   8.7685   12.483   8.7685   12.483   0.0000   0.0000   38.112   15.473  ?   ?       ?      ? 
1 1 1  -26   18   53 o   56.755   16.663   28.338   13.657   28.338   13.657   0.0000   0.0000   56.755   16.663  ?   ?       ?      ? 
1 1 1  -26   18   54 o   27.257   8.9765  -6.1566   7.9507  -5.6460   12.340  -6.5190   10.396   28.711   13.310   25.804   12.048 2.906956 17.95304 
1 1 1  -26   18   55 o   42.865   11.239   14.871   8.8109   11.268   13.327   17.669   11.744   40.099   16.089   45.632   15.697 -5.532337 22.47754 
1 1 1  -26   18   56 o   40.832   10.801   12.739   8.5062   5.4353   12.843   18.446   11.354   35.343   15.109   46.320   15.438 -10.97702 21.60136 
1 1 1  -26   18   57 o   43.918   9.7146   12.146   8.7461 -10.6666   12.878   31.677   11.916   26.873   12.804   60.963   14.614 -34.09059 19.42918 
1 1 1  -26   18   58 o   38.227   10.623   9.4847   8.7686  -0.5576   13.150   17.525   11.766   31.661   14.320   44.794   15.694 -13.13286 21.24537 
1 1 1  -26   18   59 o   47.633   11.971   21.124   9.6977   20.227   14.907   21.783   12.769   46.636   17.470   48.629   16.372 -1.992840 23.94273 
1 1 1  -26   18   60 o   73.586   15.055   47.359   14.507   0.0000   0.0000   47.359   14.507  ?   ?    73.586   15.055      ?      ? 
1 1 1  -26   18   61 o   41.719   16.050   15.278   12.783   0.0000   0.0000   15.278   12.783  ?   ?    41.719   16.050      ?      ? 
1 1 1  -26   18   62 o   30.895   13.947   0.7043   12.409   0.0000   0.0000   0.7043   12.409  ?   ?    30.895   13.947      ?      ? 
1 1 1  -26   18   63 o   69.730   16.177   45.920   14.991   0.0000   0.0000   45.920   14.991  ?   ?    69.730   16.177      ?      ? 
1 1 1  -26   18   64 o   25.580   12.234  -8.8896   11.993   0.0000   0.0000  -8.8896   11.993  ?   ?    25.580   12.234      ?      ? 
1 1 1  -26   19    5 f   51.161   10.507   20.830   7.7073   20.240   10.615   21.489   11.208   50.488   14.653   51.835   15.061 -1.347118 21.01306 
1 1 1  -26   19    6 o   70.362   9.2699   37.909   8.4897   21.475   11.541   57.290   12.533   51.755   15.351   88.969   10.395 -37.21355 18.53976 
1 1 1  -26   19    7 o   28.765   8.9335  -0.5615   6.7089  -0.0568   9.4996  -1.0637   9.4759   29.141   12.725   28.389   12.542 0.7521877 17.86694 
1 1 1  -26   19    8 o   46.825   9.9161   16.067   7.5669   5.5765   10.589   27.015   10.817   34.920   14.222   58.729   13.822 -23.80893 19.83217 
1 1 1  -26   19    9 o   36.895   9.9107   7.3872   7.2115   1.1712   10.122   13.795   10.277   30.881   13.311   42.910   14.687 -12.02898 19.82149 
1 1 1  -26   19   10 o   33.867   9.8470   4.1965   7.3638   0.7611   10.233   7.8867   10.605   30.728   13.314   37.007   14.512 -6.279207 19.69399 
1 1 1  -26   19   11 f   31.660   9.3441   2.1922   6.9595  -3.4462   10.111   7.2680   9.5936   27.765   12.557   35.555   13.841 -7.789839 18.68824 
1 1 1  -26   19   12 o   44.672   9.6037   13.142   7.4957   26.966   10.803   0.3079   10.409   58.711   13.809   30.633   13.350 28.07802 19.20744 
1 1 1  -26   19   13 o   70.439   13.599   38.340   12.511   0.0000   0.0000   38.340   12.511  ?   ?    70.439   13.599      ?      ? 
1 1 1  -26   19   14 o   44.347   15.005   14.946   10.726   0.0000   0.0000   14.946   10.726  ?   ?    44.347   15.005      ?      ? 
1 1 1  -26   19   15 o   26.747   8.6089  -4.4471   6.8759  -1.7706   9.9608  -6.8835   9.5034   28.612   12.738   24.881   11.584 3.730295 17.21780 
1 1 1  -26   19   16 o   55.434   10.528   24.509   8.0912   22.677   11.391   26.375   11.495   53.265   15.092   57.603   14.682 -4.337620 21.05593 
1 1 1  -26   19   17 o   37.620   9.8284   5.9878   7.5463   17.987   11.015  -4.6258   10.359   47.821   15.153   27.419   12.521 20.40240 19.65682 
1 1 1  -26   19   18 o   46.415   9.5213   14.414   7.9438  -2.5015   11.359   30.606   11.114   30.026   13.468   62.805   13.463 -32.77938 19.04251 
1 1 1  -26   19   19 o   39.172   14.998   9.8028   11.129   9.8028   11.129   0.0000   0.0000   39.172   14.998  ?   ?       ?      ? 
1 1 1  -26   19   20 o   69.308   14.014   37.493   12.710   37.493   12.710   0.0000   0.0000   69.308   14.014  ?   ?       ?      ? 
1 1 1  -26   19   21 o   66.106   9.9244   34.121   8.5975   35.775   12.664   32.707   11.709   67.464   14.296   64.747   13.769 2.716385 19.84872 
1 1 1  -26   19   22 o   52.827   9.9607   22.110   8.2647   7.4479   11.986   35.398   11.411   37.703   15.212   67.952   12.863 -30.24966 19.92141 
1 1 1  -26   19   23 o   50.807   10.691   20.718   7.9493   18.452   11.564   22.748   10.946   48.233   15.552   53.382   14.676 -5.148972 21.38294 
1 1 1  -26   19   24 o   95.567   8.1732   68.391   10.215   49.465   14.473   87.177   14.419   80.993   13.186  110.142   9.6608 -29.14839 16.34642 
1 1 1  -26   19   25 o   48.156   10.014   17.950   8.0276   4.5558   11.921   29.063   10.858   35.308   14.800   61.004   13.493 -25.69564 20.02718 
1 1 1  -26   19   26 o   43.282   10.827   13.706   7.8664   16.593   12.138   11.616   10.329   46.190   15.954   40.373   14.642 5.816689 21.65471 
1 1 1  -26   19   27 f   55.263   8.7524   22.603   8.4769  -3.6547   12.215   46.999   11.774   30.324   13.750   80.202   10.833 -49.87770 17.50485 
1 1 1  -26   19   28 o   31.639   9.6254   1.2124   7.3946   4.6688   11.424  -1.2801   9.7012   34.831   14.535   28.447   12.623 6.383890 19.25084 
1 1 1  -26   19   29 o   48.975   15.034   19.233   10.934   0.0000   0.0000   19.233   10.934  ?   ?    48.975   15.034      ?      ? 
1 1 1  -26   19   30 o   64.177   13.964   32.542   11.799   0.0000   0.0000   32.542   11.799  ?   ?    64.177   13.964      ?      ? 
1 1 1  -26   19   31 o   61.012   9.8888   30.178   8.4857   17.575   12.289   41.664   11.732   47.019   16.060   75.006   11.542 -27.98725 19.77756 
1 1 1  -26   19   32 o   82.466   9.3811   54.159   9.6487   33.604   13.754   74.078   13.539   63.803   15.950  101.130   9.8794 -37.32719 18.76217 
1 1 1  -26   19   33 o   37.964   10.052   8.9245   7.5432   0.5631   11.534   15.173   9.9710   31.885   13.970   44.043   14.457 -12.15845 20.10410 
1 1 1  -26   19   34 o   30.011   9.2974   0.2826   7.1697  -1.2296   11.151   1.3484   9.3612   30.250   13.472   29.771   12.817 0.4791908 18.59489 
1 1 1  -26   19   35 o   46.489   15.979   17.282   12.169   17.282   12.169   0.0000   0.0000   46.489   15.979  ?   ?       ?      ? 
1 1 1  -26   19   36 o   70.334   10.313   39.728   9.5071   41.918   13.571   37.618   13.322   72.480   14.325   68.187   14.839 4.293144 20.62537 
1 1 1  -26   19   37 o   45.295   10.986   16.177   8.0718   17.687   12.323   15.042   10.683   46.798   16.080   43.792   14.974 3.005871 21.97247 
1 1 1  -26   19   38 o   39.051   10.597   10.326   7.8603   9.0957   11.963   11.261   10.427   38.494   15.311   39.609   14.655 -1.114140 21.19446 
1 1 1  -26   19   39 o   55.434   10.447   26.095   8.5035   15.349   12.745   34.718   11.416   44.425   16.241   66.443   13.145 -22.01880 20.89377 
1 1 1  -26   19   40 o   56.133   10.663   25.351   8.3410   33.358   12.774   19.399   11.013   63.682   15.042   48.583   15.117 15.09949 21.32545 
1 1 1  -26   19   41 o   31.270   9.5534   1.6412   7.4965  -2.7834   11.724   4.7015   9.7503   29.803   13.496   32.738   13.525 -2.935246 19.10682 
1 1 1  -26   19   42 o   57.923   11.010   28.424   8.8308   26.331   13.385   30.037   11.751   55.294   16.562   60.552   14.511 -5.258038 22.01972 
1 1 1  -26   19   43 o   37.546   10.377   8.6100   8.0128   2.1227   12.010   13.814   10.757   33.004   14.362   42.088   14.981 -9.083832 20.75370 
1 1 1  -26   19   44 o   38.251   14.897   9.8803   11.118   0.0000   0.0000   9.8803   11.118  ?   ?    38.251   14.897      ?      ? 
1 1 1  -26   19   45 o   38.619   15.021   10.276   11.292   0.0000   0.0000   10.276   11.292  ?   ?    38.619   15.021      ?      ? 
1 1 1  -26   19   46 o   33.101   10.082   3.0632   8.1507   5.0060   12.276   1.5313   10.900   34.972   14.856   31.230   13.634 3.741489 20.16466 
1 1 1  -26   19   47 o   43.449   11.104   14.138   8.5732   22.360   13.138   8.0408   11.314   50.436   16.597   36.461   14.755 13.97525 22.20794 
1 1 1  -26   19   48 o   40.087   10.675   10.484   8.1990   19.806   12.555   3.5533   10.826   47.758   16.234   32.415   13.865 15.34318 21.34916 
1 1 1  -26   19   49 o   40.272   10.863   10.834   8.5917   19.832   12.865   3.5910   11.543   47.533   16.425   33.010   14.222 14.52248 21.72652 
1 1 1  -26   19   50 o   30.475   13.827  -1.6944   12.374  -1.6944   12.374   0.0000   0.0000   30.475   13.827  ?   ?       ?      ? 
1 1 1  -26   19   51 o   53.168   11.785   24.483   9.6089   36.233   15.097   16.481   12.458   62.485   17.259   43.851   16.053 18.63406 23.57055 
1 1 1  -26   19   52 o   42.079   10.685   13.604   9.1278  -2.0005   14.232   24.508   11.897   31.870   14.600   52.288   15.604 -20.41776 21.36903 
1 1 1  -26   19   53 o   37.236   10.817   9.2174   8.6843   11.083   13.228   7.8044   11.513   38.944   15.882   35.528   14.689 3.415844 21.63340 
1 1 1  -26   19   54 o   36.086   10.429   6.5575   8.9490  -5.3586   13.305   16.402   12.093   29.124   13.609   43.048   15.808 -13.92399 20.85859 
1 1 1  -26   19   55 o   74.544   11.108   49.990   10.824   50.798   16.118   49.327   14.608   74.143   16.470   74.945   14.908 -0.8016129 22.21530 
1 1 1  -26   19   56 o   41.461   11.539   15.292   9.5256   13.791   14.618   16.399   12.558   40.502   16.627   42.421   16.005 -1.918594 23.07883 
1 1 1  -26   19   57 o   32.238   14.174   3.8780   11.964   0.0000   0.0000   3.8780   11.964  ?   ?    32.238   14.174      ?      ? 
1 1 1  -26   19   58 o   66.649   16.213   42.588   14.504   0.0000   0.0000   42.588   14.504  ?   ?    66.649   16.213      ?      ? 
1 1 1  -26   19   59 o   29.569   13.463   0.2354   11.866   0.0000   0.0000   0.2354   11.866  ?   ?    29.569   13.463      ?      ? 
1 1 1  -26   19   60 o   39.986   15.922   15.360   12.949   0.0000   0.0000   15.360   12.949  ?   ?    39.986   15.922      ?      ? 
1 1 1  -26   19   61 o   39.851   15.888   15.748   12.911   0.0000   0.0000   15.748   12.911  ?   ?    39.851   15.888      ?      ? 
1 1 1  -26   20   12 o   45.450   10.919   15.999   8.4387   8.9822   12.080   22.687   11.794   38.534   15.367   52.366   15.515 -13.83133 21.83745 
1 1 1  -26   20   13 f   91.606   8.4294   63.491   10.273   51.139   14.584   75.654   14.472   81.695   13.174  101.516   10.520 -19.82125 16.85872 
1 1 1  -26   20   14 o   48.992   10.641   18.722   8.2660   28.617   12.049   9.9244   11.361   59.094   15.016   38.890   15.083 20.20467 21.28297 
1 1 1  -26   20   15 o   60.774   9.5867   29.170   8.8763   8.6043   12.311   51.434   12.809   38.383   15.441   83.165   11.366 -44.78157 19.17349 
1 1 1  -26   20   16 o   56.500   15.767   26.619   12.532   26.619   12.532   0.0000   0.0000   56.500   15.767  ?   ?       ?      ? 
1 1 1  -26   20   17 o   41.771   15.290   12.976   11.301   12.976   11.301   0.0000   0.0000   41.771   15.290  ?   ?       ?      ? 
1 1 1  -26   20   18 o   37.222   10.290   8.1122   7.5365   12.208   11.439   4.9707   10.018   41.061   15.319   33.384   13.742 7.676998 20.57920 
1 1 1  -26   20   19 o   30.100   9.2663   0.1931   7.2421  -4.4019   10.598   4.2182   9.9192   27.561   12.616   32.640   13.576 -5.078928 18.53270 
1 1 1  -26   20   20 o   71.130   9.5211   39.336   8.9786   44.341   13.074   34.868   12.352   76.370   12.633   65.891   14.249 10.47842 19.04219 
1 1 1  -26   20   21 o   75.022   9.7160   45.503   9.3928   30.764   13.519   59.257   13.060   60.421   16.185   89.622   10.753 -29.20123 19.43193 
1 1 1  -26   20   22 o   57.574   10.648   26.645   8.5579   36.188   12.905   19.155   11.433   66.818   14.656   48.329   15.451 18.48856 21.29642 
1 1 1  -26   20   23 o   87.087   8.5633   57.653   9.9927   52.856   14.784   61.687   13.559   82.924   13.156   91.250   10.965 -8.325974 17.12663 
1 1 1  -26   20   24 o   65.325   10.074   35.818   9.0337   20.928   13.317   48.512   12.296   49.931   16.720   80.720   11.241 -30.78930 20.14723 
1 1 1  -26   20   25 o   33.091   9.7669   3.8849   7.2459   7.3267   11.182   1.3939   9.5132   36.337   14.682   29.845   12.885 6.492359 19.53381 
1 1 1  -26   20   26 o   73.943   11.605   41.004   11.629   0.0000   0.0000   41.004   11.629  ?   ?    73.943   11.605      ?      ? 
1 1 1  -26   20   27 o   34.666   13.684   7.0575   9.4896   0.0000   0.0000   7.0575   9.4896  ?   ?    34.666   13.684      ?      ? 
1 1 1  -26   20   28 o   53.445   10.687   23.464   8.0156   26.026   12.330   21.588   10.549   55.604   15.684   51.286   14.521 4.318050 21.37365 
1 1 1  -26   20   29 o   50.756   10.864   20.934   8.1049   26.350   12.441   16.941   10.683   55.855   15.754   45.657   14.964 10.19734 21.72771 
1 1 1  -26   20   30 o   47.077   11.114   18.364   8.3114   17.196   12.788   19.218   10.936   45.942   16.336   48.212   15.075 -2.270672 22.22879 
1 1 1  -26   20   31 o   54.893   10.731   26.349   8.8238   15.352   13.656   34.232   11.561   44.329   16.698   65.456   13.483 -21.12670 21.46201 
1 1 1  -26   20   32 o   45.371   16.427   16.719   12.992   16.719   12.992   0.0000   0.0000   45.371   16.427  ?   ?       ?      ? 
1 1 1  -26   20   33 o   42.575   16.079   13.863   12.682   13.863   12.682   0.0000   0.0000   42.575   16.079  ?   ?       ?      ? 
1 1 1  -26   20   34 o   47.701   11.343   18.967   8.5661   21.043   13.352   17.516   11.167   49.425   16.742   45.977   15.310 3.448242 22.68644 
1 1 1  -26   20   35 o   31.479   9.6287   2.1206   7.5786  -1.6548   11.983   4.6372   9.7837   30.495   13.742   32.463   13.491 -1.968634 19.25742 
1 1 1  -26   20   36 o   37.184   10.268   8.4614   8.1152  -1.6252   13.134   14.691   10.321   31.700   14.327   42.668   14.713 -10.96762 20.53599 
1 1 1  -26   20   37 o   38.194   10.595   10.039   8.0301   6.3640   13.229   12.184   10.105   36.591   15.477   39.797   14.475 -3.206039 21.19082 
1 1 1  -26   20   38 o   47.942   11.481   19.805   8.7782   20.018   14.012   19.667   11.262   47.879   17.093   48.005   15.334 -0.1268311 22.96264 
1 1 1  -26   20   39 o   56.974   11.048   29.636   9.2801   19.102   14.611   36.759   12.015   46.882   17.348   67.065   13.683 -20.18249 22.09509 
1 1 1  -26   20   40 o   47.816   11.075   20.335   8.6336   13.505   13.961   24.564   10.986   41.956   16.587   53.675   14.681 -11.71960 22.15042 
1 1 1  -26   20   41 o   50.627   15.291   22.332   11.374   0.0000   0.0000   22.332   11.374  ?   ?    50.627   15.291      ?      ? 
1 1 1  -26   20   42 o   67.646   14.157   38.284   12.561   0.0000   0.0000   38.284   12.561  ?   ?    67.646   14.157      ?      ? 
1 1 1  -26   20   43 o   39.213   10.713   11.788   8.3248   5.5741   13.904   15.260   10.394   35.879   15.533   42.548   14.759 -6.669952 21.42693 
1 1 1  -26   20   44 o   47.119   10.971   20.220   9.2128   6.6708   14.881   28.639   11.731   37.031   16.051   57.207   14.962 -20.17611 21.94280 
1 1 1  -26   20   45 o   72.043   11.409   46.625   10.646   46.456   17.178   46.731   13.566   69.498   18.071   74.589   13.934 -5.091347 22.81873 
1 1 1  -26   20   46 o   77.385   11.055   55.765   11.219   37.156   16.988   70.159   14.940   60.379   18.773   94.392   11.680 -34.01335 22.10956 
1 1 1  -26   20   47 o   49.312   18.039   24.368   15.726   24.368   15.726   0.0000   0.0000   49.312   18.039  ?   ?       ?      ? 
1 1 1  -26   20   48 o   33.492   10.303   3.7995   9.1145  -4.1781   13.798   9.9761   12.141   29.909   13.936   37.076   15.179 -7.166485 20.60615 
1 1 1  -26   20   49 o   29.518   13.402  -0.5258   11.653   0.0000   0.0000  -0.5258   11.653  ?   ?    29.518   13.402      ?      ? 
1 1 1  -26   20   50 o   60.448   12.226   35.694   10.497   45.008   16.272   29.055   13.738   66.997   17.670   53.899   16.902 13.09832 24.45202 
1 1 1  -26   20   51 o   30.690   9.8431   0.5572   8.9597  -5.6974   14.549   4.3784   11.372   29.448   13.906   31.933   13.934 -2.485847 19.68617 
1 1 1  -26   20   52 o   40.891   10.914   14.633   9.6611  -1.4117   15.357   25.143   12.429   31.612   14.720   50.170   16.117 -18.55761 21.82803 
1 1 1  -26   20   53 o   36.646   10.308   8.3989   9.2895 -11.0878   14.744   21.226   11.962   27.322   13.194   45.970   15.841 -18.64794 20.61576 
1 1 1  -26   20   54 o   29.974   9.7657  -0.3947   9.0082   3.5506   14.066  -3.1380   11.729   32.525   14.751   27.423   12.802 5.101610 19.53145 
1 1 1  -26   21   20 f   43.843   10.721   15.565   8.6762   3.8066   13.585   23.666   11.275   35.074   15.269   52.613   15.053 -17.53902 21.44162 
1 1 1  -26   21   21 o   33.885   9.9783   5.1808   7.8292  -1.1194   12.503   9.2445   10.042   31.142   14.035   36.628   14.187 -5.485870 19.95654 
1 1 1  -26   21   22 o   43.408   10.905   15.664   8.3396   9.9761   13.152   19.489   10.785   38.973   15.859   47.842   14.972 -8.868458 21.80965 
1 1 1  -26   21   23 o   37.722   14.588   10.128   10.604   0.0000   0.0000   10.128   10.604  ?   ?    37.722   14.588      ?      ? 
1 1 1  -26   21   24 o   27.751   12.490  -1.5670   9.8628   0.0000   0.0000  -1.5670   9.8628  ?   ?    27.751   12.490      ?      ? 
1 1 1  -26   21   25 o   44.082   9.9396   15.529   8.1253  -0.3621   12.650   26.691   10.602   31.595   14.189   56.570   13.923 -24.97562 19.87925 
1 1 1  -26   21   26 o   40.338   9.8672   11.368   8.0869  -5.4594   12.775   22.622   10.447   29.070   13.500   51.605   14.394 -22.53456 19.73438 
1 1 1  -26   21   27 o   43.504   11.172   15.456   8.3407   18.709   13.387   13.392   10.663   46.202   16.683   40.806   14.865 5.396786 22.34449 
1 1 1  -26   21   28 o   73.041   10.349   47.515   9.9307   28.958   14.892   62.376   13.327   55.518   17.622   90.563   10.859 -35.04490 20.69883 
1 1 1  -26   21   29 o   55.855   17.303   29.121   14.447   29.121   14.447   0.0000   0.0000   55.855   17.303  ?   ?       ?      ? 
1 1 1  -26   21   30 o   27.863   12.980  -5.7016   11.956  -5.7016   11.956   0.0000   0.0000   27.863   12.980  ?   ?       ?      ? 
1 1 1  -26   21   31 o   29.772   9.3152  -0.3905   7.8092  -9.9021   12.558   5.6073   9.9719   26.693   12.697   32.851   13.633 -6.157877 18.63036 
1 1 1  -26   21   32 f   34.108   10.260   4.6639   8.0593   10.009   13.256   1.5299   10.151   38.370   15.802   29.847   13.091 8.522530 20.52014 
1 1 1  -26   21   33 o   40.460   10.987   12.879   8.3174   16.001   13.209   10.828   10.707   43.099   16.378   37.821   14.649 5.278164 21.97343 
1 1 1  -26   21   34 o   30.380   9.4890   0.6582   7.9469  -6.8406   12.522   5.7160   10.283   27.773   13.049   32.987   13.780 -5.213297 18.97796 
1 1 1  -26   21   35 o   41.481   11.201   14.644   8.8634   11.088   14.145   16.944   11.373   39.180   16.247   43.782   15.424 -4.601200 22.40184 
1 1 1  -26   21   36 o   45.597   11.619   19.320   9.2053   17.012   14.861   20.758   11.726   43.582   17.150   47.611   15.680 -4.029274 23.23785 
1 1 1  -26   21   37 o   48.962   11.810   22.494   9.1842   25.279   15.071   20.848   11.584   50.312   17.751   47.613   15.581 2.699284 23.61911 
1 1 1  -26   21   38 o   44.903   15.407   18.420   11.310   0.0000   0.0000   18.420   11.310  ?   ?    44.903   15.407      ?      ? 
1 1 1  -26   21   39 o   72.427   13.832   45.005   13.080   0.0000   0.0000   45.005   13.080  ?   ?    72.427   13.832      ?      ? 
1 1 1  -26   21   40 o   40.654   11.183   14.667   9.0393   9.7003   14.935   17.538   11.355   37.726   16.215   43.583   15.405 -5.856483 22.36621 
1 1 1  -26   21   41 o   46.739   12.024   21.506   9.6585   24.495   15.681   19.679   12.260   48.228   17.947   45.249   16.006 2.978889 24.04739 
1 1 1  -26   21   42 o   56.148   12.076   31.776   9.8736   33.435   15.921   30.740   12.587   55.646   18.268   56.650   15.799 -1.004421 24.15286 
1 1 1  -26   21   43 o   65.057   12.026   40.540   10.518   52.405   17.159   33.400   13.311   71.785   17.741   58.330   16.241 13.45508 24.05239 
1 1 1  -26   21   44 o   30.118   14.103  -3.0463   14.415  -3.0463   14.415   0.0000   0.0000   30.118   14.103  ?   ?       ?      ? 
1 1 1  -26   21   45 o   22.579   11.216 -22.4747   13.246 -22.4747   13.246   0.0000   0.0000   22.579   11.216  ?   ?       ?      ? 
1 1 1  -26   21   46 o   57.165   12.245   35.414   10.306   34.532   16.313   36.000   13.296   54.325   18.504   60.006   16.042 -5.680336 24.48956 
1 1 1  -26   22   28 o   49.899   11.709   25.004   9.1471   24.802   15.215   25.118   11.447   48.330   17.734   51.467   15.294 -3.137287 23.41744 
1 1 1  -26   22   29 o   29.552   9.5417   0.0418   8.1230  -1.1237   14.195   0.6093   9.9052   31.012   14.341   28.092   12.590 2.920059 19.08337 
1 1 1  -26   22   30 o   27.246   8.7812  -3.1539   7.7861 -20.4576   13.892   4.7718   9.4016   23.941   11.819   30.551   12.991 -6.609520 17.56249 
1 1 1  -26   22   31 o   25.418   8.6352 -10.0979   7.7154  -0.4129   13.681 -14.6147   9.3429   30.750   14.170   20.087   9.8727 10.66297 17.27044 
1 1 1  -26   22   32 o   20.786   7.3178 -17.8450   7.3393 -22.8308   13.385 -15.7017   8.7762   22.699   11.275   18.872   9.3311 3.826555 14.63567 
1 1 1  -26   22   33 o   34.925   10.589   6.8886   8.4831   15.736   14.802   2.5614   10.352   40.368   16.670   29.482   13.062 10.88647 21.17794 
1 1 1  -26   22   34 o   26.692   8.7842  -3.5216   7.8640 -13.6038   13.641   1.4972   9.6242   25.364   12.351   28.019   12.494 -2.655081 17.56844 
1 1 1  -26   22   35 o   39.538   14.834   14.869   10.756   0.0000   0.0000   14.869   10.756  ?   ?    39.538   14.834      ?      ? 
1 1 1  -26   22   36 o   35.563   14.537   10.678   11.115   0.0000   0.0000   10.678   11.115  ?   ?    35.563   14.537      ?      ? 
1 1 1  -25    0    1 o  737.045   17.399  3699.77  173.558   0.0000   0.0000  3699.77  173.558  737.045   17.399  737.045   17.399 -0.000000 0.000000 
1 1 1  -25    0    2 o  451.983   12.002  1389.36   73.394   0.0000   0.0000  1389.36   73.394  451.983   12.002  451.983   12.002 -0.000000 0.000000 
1 1 1  -25    0    3 o   73.787   12.324   39.893   11.289   0.0000   0.0000   39.893   11.289   73.787   12.324   73.787   12.324 -0.000000 0.000000 
1 1 1  -25    0    5 o  424.509   8.2141  1223.28   47.213   0.0000   0.0000  1223.28   47.213  424.509   8.2141  424.509   8.2141 -0.000000 0.000000 
1 1 1  -25    0    6 o  676.584   11.474  3108.62  105.130   0.0000   0.0000  3108.62  105.130  676.584   11.474  676.584   11.474 -0.000000 0.000000 
1 1 1  -25    0    7 f  472.996   8.8136  1518.68   56.449   0.0000   0.0000  1518.68   56.449  472.996   8.8136  472.996   8.8136 -0.000000 0.000000 
1 1 1  -25    0    8 o  176.940   8.7892  213.863   20.956   0.0000   0.0000  213.863   20.956  176.940   8.7892  176.940   8.7892 -0.000000 0.000000 
1 1 1  -25    0    9 o  478.470   8.8269  1556.56   57.140  1539.45   80.185  1574.22   81.446  475.797   12.455  481.144   12.511 -0.000000 0.000000 
1 1 1  -25    0   10 o  1141.89   18.242  8903.18  281.880  9095.04  404.172  8721.48  393.327  1153.85   25.878  1129.93   25.718 -0.000000 0.000000 
1 1 1  -25    0   11 f  1160.33   18.522  9194.00  290.822  9407.07  417.460  8993.08  405.374  1173.37   26.284  1147.29   26.104 -0.000000 0.000000 
1 1 1  -25    0   12 o  597.176   10.385  2425.63   83.923  2400.85  117.895  2451.08  119.493  594.083   14.664  600.269   14.710 -0.000000 0.000000 
1 1 1  -25    0   13 o  599.081   10.421  2440.07   84.458  2382.93  117.727  2500.67  121.235  591.851   14.699  606.311   14.775 -0.000000 0.000000 
1 1 1  -25    0   14 o  1172.55   18.724  9381.11  296.922  9053.68  409.819  9742.90  430.789  1151.08   26.304  1194.02   26.654 -0.000000 0.000000 
1 1 1  -25    0   15 o  1165.41   26.311  9280.46  415.054  9280.46  415.054   0.0000   0.0000  1165.41   26.311  1165.41   26.311 -0.000000 0.000000 
1 1 1  -25    0   16 o  482.947   12.639  1586.13   82.588  1586.13   82.588   0.0000   0.0000  482.947   12.639  482.947   12.639 -0.000000 0.000000 
1 1 1  -25    0   17 o  188.714   6.4452  243.406   16.379  250.108   22.885  236.368   23.451  191.437   8.8649  185.990   9.3583 -0.000000 0.000000 
1 1 1  -25    0   18 o  474.064   8.8333  1528.20   56.655  1545.30   80.615  1511.52   79.638  476.688   12.499  471.440   12.485 -0.000000 0.000000 
1 1 1  -25    0   19 o  675.007   11.480  3099.72  104.850  3034.73  146.408  3168.15  150.225  667.741   16.201  682.273   16.269 -0.000000 0.000000 
1 1 1  -25    0   20 o  413.209   8.1193  1160.44   45.370  1125.38   63.270  1197.55   65.095  406.771   11.499  419.647   11.466 -0.000000 0.000000 
1 1 1  -25    0   21 o  187.314   6.3767  239.602   16.100  238.448   22.873  240.735   22.665  186.853   9.0820  187.774   8.9535 -0.000000 0.000000 
1 1 1  -25    0   22 o   88.280   8.4792   56.111   9.4504   48.826   13.474   63.165   13.259   81.826   13.175   94.734   10.677 -0.000000 0.000000 
1 1 1  -25    0   23 o  451.521   8.6051  1386.61   52.564  1372.25   74.082  1401.17   74.594  449.159   12.191  453.884   12.147 -0.000000 0.000000 
1 1 1  -25    0   24 o  747.983   12.542  3809.98  126.954  3746.27  177.805  3876.23  181.326  741.600   17.715  754.365   17.760 -0.000000 0.000000 
1 1 1  -25    0   25 o  465.093   8.7719  1470.90   55.186  1499.97   79.004  1443.19   77.119  469.586   12.435  460.601   12.376 -0.000000 0.000000 
1 1 1  -25    0   26 o  543.598   9.7589  2010.11   71.772  2042.23  102.671  1979.41  100.371  547.844   13.849  539.352   13.753 -0.000000 0.000000 
1 1 1  -25    0   27 o  462.037   8.7549  1452.36   54.726  1439.94   77.367  1464.80   77.421  460.048   12.431  464.026   12.332 -0.000000 0.000000 
1 1 1  -25    0   28 o  210.510   6.5842  301.888   18.684  315.730   27.054  289.265   25.836  215.142   9.3192  205.878   9.3036 -0.000000 0.000000 
1 1 1  -25    0   29 o  301.370   7.1021  618.105   28.924  625.009   41.462  611.559   40.371  303.003   10.123  299.736   9.9640 -0.000000 0.000000 
1 1 1  -25    0   30 o  358.460   7.6479  874.438   37.070  859.154   52.367  889.791   52.484  355.299   10.899  361.620   10.731 -0.000000 0.000000 
1 1 1  -25    0   31 o  487.680   12.800  1618.56   84.460   0.0000   0.0000  1618.56   84.460  487.680   12.800  487.680   12.800 -0.000000 0.000000 
1 1 1  -25    0   32 f  266.889   9.6520  485.182   34.805   0.0000   0.0000  485.182   34.805  266.889   9.6520  266.889   9.6520 -0.000000 0.000000 
1 1 1  -25    0   33 o  731.947   12.370  3651.38  122.499  3728.70  175.961  3578.67  170.640  739.451   17.582  724.443   17.404 -0.000000 0.000000 
1 1 1  -25    0   34 o  393.185   8.0339  1051.45   42.707  1079.54   61.514  1025.32   59.337  398.253   11.419  388.117   11.304 -0.000000 0.000000 
1 1 1  -25    0   35 o   79.998   10.172   48.484   9.6064   39.284   14.009   56.651   13.199   70.769   16.830   89.227   11.429 -0.000000 0.000000 
1 1 1  -25    0   36 o  223.964   6.7097  342.369   20.266  337.587   29.095  346.876   28.246  222.402   9.6955  225.526   9.2778 -0.000000 0.000000 
1 1 1  -25    0   37 o  403.730   8.1624  1109.65   44.570  1116.28   63.574  1103.23   62.503  404.909   11.608  402.552   11.479 -0.000000 0.000000 
1 1 1  -25    0   38 o  284.961   10.137  553.333   39.034  553.333   39.034   0.0000   0.0000  284.961   10.137  284.961   10.137 -0.000000 0.000000 
1 1 1  -25    0   39 o  221.605   9.7529  335.278   29.159  335.278   29.159   0.0000   0.0000  221.605   9.7529  221.605   9.7529 -0.000000 0.000000 
1 1 1  -25    0   40 o  514.112   9.5636  1797.24   66.451  1714.15   91.437  1890.24   96.739  501.531   13.476  526.693   13.574 -0.000000 0.000000 
1 1 1  -25    0   41 o  546.508   9.9060  2035.92   73.252  2019.72  103.617  2052.10  103.571  544.316   14.069  548.700   13.949 -0.000000 0.000000 
1 1 1  -25    0   42 o  440.281   8.6371  1320.42   51.431  1332.06   73.640  1309.33   71.863  442.160   12.312  438.401   12.117 -0.000000 0.000000 
1 1 1  -25    0   43 o  234.921   6.8963  376.948   21.837  370.392   31.564  382.967   30.244  232.899   10.043  236.943   9.4532 -0.000000 0.000000 
1 1 1  -25    0   44 o  457.322   8.8778  1425.74   54.913  1402.94   78.020  1448.12   77.302  453.656   12.714  460.988   12.395 -0.000000 0.000000 
1 1 1  -25    0   45 o  603.426   10.706  2485.49   87.412  2476.33  124.268  2494.46  122.979  602.292   15.247  604.559   15.032 -0.000000 0.000000 
1 1 1  -25    0   46 o  419.927   8.4693  1200.59   48.066  1234.72   69.729  1169.69   66.348  425.592   12.113  414.262   11.841 -0.000000 0.000000 
1 1 1  -25    0   47 o  112.381   8.1439   87.487   12.010   98.650   18.242   78.948   15.955  118.802   11.584  105.960   11.450 -0.000000 0.000000 
1 1 1  -25    0   48 o  416.929   8.4354  1185.33   47.560  1178.67   67.897  1191.75   66.641  415.745   12.075  418.113   11.783 -0.000000 0.000000 
1 1 1  -25    0   49 o  296.228   7.3793  599.159   29.504  583.849   42.423  613.500   41.059  292.488   10.736  299.967   10.127 -0.000000 0.000000 
1 1 1  -25    0   50 o  775.409   18.468  4121.10  193.810   0.0000   0.0000  4121.10  193.810  775.409   18.468  775.409   18.468 -0.000000 0.000000 
1 1 1  -25    0   52 o  197.499   10.752  267.576   28.581  267.576   28.581   0.0000   0.0000  197.499   10.752  197.499   10.752 -0.000000 0.000000 
1 1 1  -25    0   53 o   74.516   12.459   45.006   10.682   37.596   16.439   50.423   14.054   66.119   20.872   82.914   13.611 -0.000000 0.000000 
1 1 1  -25    0   54 o  290.462   7.3635  576.432   28.851  566.172   41.808  585.759   39.863  287.912   10.750  293.012   10.066 -0.000000 0.000000 
1 1 1  -25    0   55 o   40.551   14.279   16.405   9.3925   17.774   14.782   15.478   12.164   41.932   21.101   39.170   19.244 -0.000000 0.000000 
1 1 1  -25    0   56 o  168.602   7.3140  196.818   16.441  180.139   24.016  211.529   22.555  161.573   11.088  175.632   9.5410 -0.000000 0.000000 
1 1 1  -25    0   57 o  303.730   10.834  630.178   44.465  630.178   44.465   0.0000   0.0000  303.730   10.834  303.730   10.834 -0.000000 0.000000 
1 1 1  -25    0   58 o  292.645   7.4453  584.317   29.406  598.478   42.810  571.667   40.461  295.970   10.705  289.318   10.350 -0.000000 0.000000 
1 1 1  -25    0   59 f  279.729   7.3552  533.209   27.737  556.367   40.842  513.385   37.788  285.330   10.596  274.128   10.204 -0.000000 0.000000 
1 1 1  -25    0   60 o  199.062   7.4139  270.593   19.718  282.217   30.062  261.815   26.123  202.695   11.019  195.429   9.9223 -0.000000 0.000000 
1 1 1  -25    0   61 o  375.902   8.1430  964.723   41.345  981.313   60.121  949.836   56.950  378.914   11.734  372.890   11.294 -0.000000 0.000000 
1 1 1  -25    0   62 o  215.568   7.2618  320.510   20.957  292.249   30.494  345.804   28.850  206.269   10.980  224.866   9.5061 -0.000000 0.000000 
1 1 1  -25    0   63 o   83.067   11.888   54.166   11.340   45.705   17.616   60.152   14.818   74.732   20.128   91.403   12.655 -0.000000 0.000000 
1 1 1  -25    0   64 o  140.230   7.8706  135.262   14.612  145.742   22.481  127.595   19.228  144.821   11.628  135.639   10.610 -0.000000 0.000000 
1 1 1  -25    0   65 o  134.525   8.0905  125.819   14.372  127.814   21.886  124.306   19.057  135.238   12.169  133.811   10.665 -0.000000 0.000000 
1 1 1  -25    0   66 o  185.135   7.3859  234.162   18.263  249.035   27.853  222.946   24.188  190.182   10.889  180.089   9.9815 -0.000000 0.000000 
1 1 1  -25    0   67 o  227.725   9.8407  355.311   30.239   0.0000   0.0000  355.311   30.239  227.725   9.8407  227.725   9.8407 -0.000000 0.000000 
1 1 1  -25    0   68 o  297.644   7.8142  607.431   31.191  606.478   46.988  608.182   41.704  297.223   11.707  298.065   10.353 -0.000000 0.000000 
1 1 1  -25    0   69 o  348.226   7.9938  828.921   37.527  862.502   55.581  800.789   50.873  354.602   11.595  341.849   11.008 -0.000000 0.000000 
1 1 1  -25    0   70 o  133.144   8.2027  125.992   14.244  109.628   21.275  139.287   19.176  124.501   12.929  141.787   10.098 -0.000000 0.000000 
1 1 1  -25    0   71 o   43.998   14.753   19.921   10.053   17.632   16.133   21.374   12.853   41.462   21.751   46.534   19.937 -0.000000 0.000000 
1 1 1  -25    0   72 o  138.713   8.3260  135.149   15.299  130.063   22.582  139.463   20.799  135.959   12.499  141.468   11.003 -0.000000 0.000000 
1 1 1  -25    0   73 o  249.611   10.912  429.417   36.750  429.417   36.750   0.0000   0.0000  249.611   10.912  249.611   10.912 -0.000000 0.000000 
1 1 1  -25    0   74 o  270.641   7.5184  505.492   27.389  490.363   39.989  518.860   37.591  266.599   11.113  274.683   10.130 -0.000000 0.000000 
1 1 1  -25    0   75 o  164.961   7.5222  187.713   16.534  199.859   25.227  178.566   21.892  169.483   11.093  160.439   10.163 -0.000000 0.000000 
1 1 1  -25    0   76 o  107.721   8.9950   81.975   12.446   90.952   19.800   76.112   16.003  112.296   13.532  103.146   11.855 -0.000000 0.000000 
1 1 1  -25    0   77 o   50.438   13.594   25.865   9.9831   14.269   15.938   33.351   12.806   37.629   20.989   63.247   17.283 -0.000000 0.000000 
1 1 1  -25    0   78 o  143.754   7.7788  144.001   14.760  151.326   22.974  138.852   19.261  146.552   11.741  140.957   10.207 -0.000000 0.000000 
1 1 1  -25    0   79 o   83.116   10.705   52.705   10.707   52.513   16.433   52.847   14.113   81.973   16.725   84.258   13.368 -0.000000 0.000000 
1 1 1  -25    0   80 o   45.487   12.189   20.472   9.5578   2.0789   14.862   33.443   12.481   27.565   17.654   63.409   16.811 -0.000000 0.000000 
1 1 1  -25    0   81 o  108.813   11.127   84.650   16.015   0.0000   0.0000   84.650   16.015  108.813   11.127  108.813   11.127 -0.000000 0.000000 
1 1 1  -25    0   82 o  125.044   10.339  110.555   17.245   0.0000   0.0000  110.555   17.245  125.044   10.339  125.044   10.339 -0.000000 0.000000 
1 1 1  -25    0   83 o   66.828   16.697   36.910   13.082   0.0000   0.0000   36.910   13.082   66.828   16.697   66.828   16.697 -0.000000 0.000000 
1 1 1  -25    0   84 o   59.427   18.097   31.313   12.727   0.0000   0.0000   31.313   12.727   59.427   18.097   59.427   18.097 -0.000000 0.000000 
1 1 1  -25    0   85 o  106.157   11.152   81.444   15.638   0.0000   0.0000   81.444   15.638  106.157   11.152  106.157   11.152 -0.000000 0.000000 
1 1 1  -25    1    1 o  382.552   5.4288  992.939   28.142  995.281   40.013  990.647   39.589  382.996   7.7094  382.108   7.6455 0.8882446 10.85768 
1 1 1  -25    1    2 o  398.203   5.5664  1075.90   30.036  1077.31   42.673  1074.51   42.285  398.459   7.9029  397.946   7.8411 0.5133057 11.13278 
1 1 1  -25    1    3 o  279.256   4.7373  528.972   17.926  524.711   25.468  533.156   25.235  278.139   6.7571  280.373   6.6417 -2.233978 9.474678 
1 1 1  -25    1    4 o  349.102   5.1992  826.468   24.592  841.041   35.204  812.579   34.367  352.105   7.3779  346.099   7.3276 6.006409 10.39842 
1 1 1  -25    1    5 o  304.135   4.9037  627.028   20.204  643.261   28.999  611.714   28.166  307.958   6.9487  300.312   6.9211 7.645203 9.807432 
1 1 1  -25    1    6 o  428.893   5.8394  1248.18   33.938  1248.81   48.149  1247.56   47.844  428.998   8.2823  428.788   8.2338 0.2099304 11.67872 
1 1 1  -25    1    7 o  278.401   5.7706  522.228   20.702  514.253   25.493  537.672   35.477  275.359   6.8317  281.442   9.3020 -6.082550 11.54120 
1 1 1  -25    1    8 o  255.800   5.6781  445.334   18.775  448.612   23.332  439.313   31.626  257.192   6.6943  254.409   9.1733 2.783234 11.35615 
1 1 1  -25    1    9 f  520.753   9.4316  1844.21   66.550  1841.68   94.833  1846.67   93.415  520.385   13.448  521.121   13.228 -0.7354126 18.86328 
1 1 1  -25    1   10 o  539.359   8.2947  1933.17   56.328  2093.49  102.206  1863.24   67.505  554.806   13.594  523.912   9.5081 30.89478 16.58934 
1 1 1  -25    1   11 o  461.198   7.4475  1449.26   44.000  1429.65   75.525  1459.33   54.135  458.657   12.151  463.739   8.6144 -5.081604 14.89499 
1 1 1  -25    1   12 o  408.694   6.8846  1131.00   35.935  1142.66   62.433  1125.22   43.945  410.136   11.233  407.252   7.9627 2.884033 13.76911 
1 1 1  -25    1   13 o  403.883   5.6075  1106.56   30.689  1117.70   43.670  1095.69   43.137  405.890   7.9396  401.875   7.9210 4.014862 11.21510 
1 1 1  -25    1   14 o  459.568   6.0825  1433.10   37.879  1444.05   53.847  1422.38   53.296  461.304   8.6138  457.831   8.5902 3.473083 12.16509 
1 1 1  -25    1   15 o  523.195   6.6543  1857.98   47.177  1870.49   67.043  1845.71   66.399  524.938   9.4246  521.452   9.3965 3.486023 13.30854 
1 1 1  -25    1   16 f  513.119   6.5594  1786.50   45.602  1822.85   65.241  1751.77   63.767  518.220   9.2901  508.018   9.2627 10.20169 13.11880 
1 1 1  -25    1   17 o  250.983   4.6249  427.055   15.727  437.011   22.470  417.493   22.021  253.850   6.5319  248.116   6.5493 5.734238 9.249800 
1 1 1  -25    1   18 o  277.329   5.8342  519.166   20.654  513.898   25.212  529.913   36.012  275.267   6.7589  279.392   9.5116 -4.125183 11.66846 
1 1 1  -25    1   19 o  430.376   7.1884  1254.52   39.482  1248.14   48.246  1267.45   68.696  428.881   8.3012  431.871   11.738 -2.989410 14.37682 
1 1 1  -25    1   20 o  314.156   5.0037  669.331   21.300  657.659   29.918  681.328   30.331  311.378   7.0903  316.933   7.0622 -5.554993 10.00736 
1 1 1  -25    1   21 o  348.109   5.2378  822.018   24.708  811.853   34.808  832.340   35.077  345.939   7.4251  350.279   7.3897 -4.339600 10.47569 
1 1 1  -25    1   22 o  273.966   4.7732  508.744   17.715  525.740   25.418  492.692   24.702  278.412   6.7371  269.519   6.7634 8.893616 9.546332 
1 1 1  -25    1   23 o  399.761   5.6333  1084.17   30.514  1100.79   43.532  1068.12   42.784  402.771   7.9757  396.751   7.9576 6.020081 11.26651 
1 1 1  -25    1   24 o  395.860   5.6126  1063.35   30.108  1065.05   42.650  1061.65   42.509  396.176   7.9441  395.544   7.9306 0.6320190 11.22511 
1 1 1  -25    1   25 o  530.444   6.7594  1910.53   48.587  1926.95   69.083  1894.44   68.347  532.699   9.5698  528.189   9.5487 4.510315 13.51889 
1 1 1  -25    1   26 o  343.078   5.2396  798.594   24.360  798.851   34.504  798.338   34.396  343.132   7.4203  343.023   7.3996 0.1088562 10.47923 
1 1 1  -25    1   27 o  194.324   4.5732  256.147   12.042  254.792   17.090  257.483   16.971  193.813   6.5071  194.836   6.4278 -1.023407 9.146499 
1 1 1  -25    1   28 f  172.916   6.5045  202.817   15.242  202.817   15.242   0.0000   0.0000  172.916   6.5045  ?   ?       ?      ? 
1 1 1  -25    1   29 o  417.538   7.0784  1176.29   37.747  1160.35   46.069  1208.84   65.844  413.448   8.2226  421.627   11.524 -8.179047 14.15679 
1 1 1  -25    1   30 o  483.195   7.7686  1584.95   48.061  1580.13   58.956  1594.52   82.984  482.365   9.0192  484.025   12.652 -1.660187 15.53728 
1 1 1  -25    1   31 o  254.770   4.7787  440.350   16.497  433.908   23.241  446.892   23.422  252.891   6.7816  256.649   6.7344 -3.758331 9.557330 
1 1 1  -25    1   32 o  481.647   6.3782  1575.54   41.628  1551.70   58.586  1599.86   59.159  477.963   9.0452  485.330   8.9951 -7.367035 12.75646 
1 1 1  -25    1   33 o  574.775   8.8473  2264.44   65.235  2201.89  111.197  2297.27   80.553  568.218   14.441  581.331   10.225 -13.11267 17.69458 
1 1 1  -25    1   34 o  383.063   5.5874  996.236   29.003  984.927   40.936  1007.64   41.099  380.877   7.9311  385.249   7.8724 -4.371521 11.17484 
1 1 1  -25    1   35 o  368.630   5.4932  922.591   27.441  924.106   38.893  921.089   38.721  368.931   7.7794  368.330   7.7577 0.6006775 10.98637 
1 1 1  -25    1   36 o  443.927   6.0803  1338.32   36.573  1310.16   51.225  1367.60   52.232  439.164   8.6075  448.691   8.5903 -9.527588 12.16065 
1 1 1  -25    1   37 o  433.211   7.3939  1287.02   40.976  1244.64   70.151  1308.96   50.483  427.463   12.110  438.959   8.4866 -11.49527 14.78786 
1 1 1  -25    1   38 o  477.248   7.8837  1570.21   48.278  1487.45   81.672  1614.65   59.854  467.084   12.903  487.412   9.0618 -20.32822 15.76734 
1 1 1  -25    1   39 o  455.822   6.2033  1411.70   38.313  1436.21   54.658  1388.04   53.721  459.710   8.7738  451.935   8.7718 7.774902 12.40657 
1 1 1  -25    1   40 o  466.968   7.8032  1489.91   46.523  1500.37   57.058  1469.17   80.358  469.810   8.9622  464.126   12.776 5.683258 15.60636 
1 1 1  -25    1   41 o  447.299   6.1480  1359.92   37.266  1366.24   52.802  1353.64   52.603  448.336   8.6908  446.262   8.6983 2.073212 12.29596 
1 1 1  -25    1   42 o  470.848   6.3410  1507.38   40.459  1510.67   57.285  1504.10   57.151  471.361   8.9682  470.335   8.9668 1.026062 12.68195 
1 1 1  -25    1   43 o  452.360   6.1973  1391.29   37.990  1393.37   53.721  1389.21   53.730  452.699   8.7570  452.020   8.7715 0.6789246 12.39452 
1 1 1  -25    1   44 o  377.855   5.6185  970.100   28.767  956.777   40.395  983.810   40.977  375.224   7.9443  380.487   7.9472 -5.263428 11.23696 
1 1 1  -25    1   45 o  267.545   6.0193  490.867   20.851  501.285   26.059  472.328   34.761  271.669   7.0784  263.421   9.7377 8.248016 12.03859 
1 1 1  -25    1   46 o  177.081   6.8796  213.080   16.425  217.383   24.602  209.618   22.063  178.653   10.162  175.509   9.2764 3.144287 13.75916 
1 1 1  -25    1   47 o  153.800   6.3014  160.835   12.155  161.217   21.810  160.663   14.639  153.812   10.464  153.788   7.0243 0.2420044E-01 12.60290 
1 1 1  -25    1   48 o  314.996   5.2576  674.247   22.441  663.614   31.569  685.108   31.907  312.484   7.4551  317.509   7.4156 -5.025360 10.51520 
1 1 1  -25    1   49 o  447.466   6.2095  1362.55   37.653  1360.93   53.178  1364.19   53.321  447.199   8.7750  447.732   8.7882 -0.5329285 12.41906 
1 1 1  -25    1   50 o  496.158   8.0550  1683.53   51.331  1689.80   63.297  1671.48   87.729  498.113   9.3772  494.204   13.100 3.908630 16.10990 
1 1 1  -25    1   51 o  504.398   8.1668  1731.53   52.638  1756.72   91.390  1719.03   64.390  506.466   13.316  502.331   9.4591 4.135559 16.33354 
1 1 1  -25    1   52 o  336.021   6.5663  770.593   28.322  764.783   48.472  773.605   34.899  334.763   10.685  337.278   7.6355 -2.514526 13.13261 
1 1 1  -25    1   53 o   83.709   6.6885   47.814   7.5758   44.991   10.747   50.603   10.681   81.234   9.7627   86.185   9.1452 -4.950172 13.37705 
1 1 1  -25    1   54 o  297.303   5.1959  601.103   20.932  598.464   29.708  603.704   29.499  296.649   7.3900  297.957   7.3060 -1.308136 10.39175 
1 1 1  -25    1   55 o  304.384   5.2975  630.300   21.845  627.313   31.229  633.162   30.569  303.663   7.5889  305.106   7.3935 -1.443634 10.59504 
1 1 1  -25    1   56 o  224.770   10.273  344.943   31.290   0.0000   0.0000  344.943   31.290  ?   ?   224.770   10.273      ?      ? 
1 1 1  -25    1   57 o  177.406   7.5487  215.020   18.135  216.538   26.178  213.619   25.146  177.983   10.854  176.830   10.494 1.153137 15.09730 
1 1 1  -25    1   58 o  231.354   6.3214  367.174   18.509  371.357   22.540  358.514   32.431  233.650   7.1188  229.057   10.448 4.593643 12.64287 
1 1 1  -25    1   59 o  144.558   5.4514  142.239   10.678  144.148   15.241  140.399   14.964  145.509   7.7296  143.607   7.6894 1.901291 10.90288 
1 1 1  -25    1   60 o  197.325   5.1652  265.032   13.810  261.597   19.605  268.415   19.457  196.047   7.3793  198.604   7.2293 -2.556366 10.33039 
1 1 1  -25    1   61 o  338.069   5.5140  778.448   25.261  775.546   35.761  781.339   35.688  337.435   7.8206  338.703   7.7753 -1.268219 11.02804 
1 1 1  -25    1   62 o  340.058   5.5357  787.450   25.504  807.505   36.525  768.369   35.627  344.281   7.8288  335.834   7.8284 8.446259 11.07137 
1 1 1  -25    1   63 o  153.440   5.3136  160.438   11.042  154.689   15.650  166.139   15.583  150.685   7.6640  156.195   7.3622 -5.510300 10.62728 
1 1 1  -25    1   64 f   75.522   7.4937   39.172   7.6389   35.222   10.809   43.113   10.797   71.666   11.130   79.377   10.037 -7.710861 14.98740 
1 1 1  -25    1   65 o  266.945   5.2080  485.488   18.838  489.725   26.843  481.377   26.444  268.087   7.3889  265.802   7.3414 2.285034 10.41595 
1 1 1  -25    1   66 o  255.821   5.1862  446.025   17.978  443.443   25.250  448.680   25.602  255.077   7.3048  256.566   7.3638 -1.489410 10.37233 
1 1 1  -25    1   67 o  177.532   6.9645  216.081   16.738  204.005   23.593  228.319   23.750  172.485   10.094  182.578   9.5989 -10.09329 13.92907 
1 1 1  -25    1   68 o   91.533   7.6895   56.462   9.2738   62.500   15.297   52.953   11.661   95.196   11.858   87.869   9.7931 7.326576 15.37905 
1 1 1  -25    1   69 o  170.420   5.1717  198.200   11.942  200.658   17.048  195.831   16.734  171.453   7.3374  169.386   7.2902 2.066803 10.34335 
1 1 1  -25    1   70 o  177.278   5.2104  214.204   12.479  238.956   18.082  191.696   17.243  187.080   7.1324  167.476   7.5976 19.60403 10.42086 
1 1 1  -25    1   71 o  219.119   5.1161  328.100   15.191  329.769   21.613  326.470   21.355  219.663   7.2606  218.575   7.2098 1.088333 10.23218 
1 1 1  -25    1   72 o  227.341   6.5436  354.696   18.626  357.862   33.529  353.283   22.401  227.416   10.880  227.266   7.2736 0.1496124 13.08714 
1 1 1  -25    1   73 o   91.154   10.792   59.658   13.043   57.535   18.574   61.722   18.320   88.763   16.031   93.545   14.452 -4.781883 21.58382 
1 1 1  -25    1   74 o  120.310   5.7429   99.460   9.3628   98.501   13.182  100.438   13.301  119.724   8.1248  120.897   8.1187 -1.172684 11.48586 
1 1 1  -25    1   75 o   33.135   9.4183   3.9798   6.4838   5.0480   9.1886   2.9204   9.1506   34.165   13.472   32.106   13.165 2.059048 18.83661 
1 1 1  -25    1   76 o  135.134   5.4296  125.606   9.9284  116.737   13.907  134.826   14.179  130.215   7.8809  140.053   7.4709 -9.837799 10.85927 
1 1 1  -25    1   77 o  104.973   6.0057   76.225   8.4867   87.965   12.209   65.249   11.805  112.921   7.9788   97.024   8.9784 15.89731 12.01135 
1 1 1  -25    1   78 o   42.269   9.7064   12.175   6.5891   7.3821   9.2494   17.114   9.3890   36.371   13.733   48.167   13.721 -11.79565 19.41284 
1 1 1  -25    1   79 o  158.718   5.1665  173.838   11.109  179.333   15.748  168.396   15.673  161.253   7.2067  156.183   7.4051 5.070801 10.33309 
1 1 1  -25    1   80 o  113.547   5.6944   89.611   8.7326   98.569   12.415   80.839   12.286  119.294   7.6797  107.800   8.4100 11.49383 11.38882 
1 1 1  -25    1   81 o  109.410   7.6001   84.931   11.264   86.507   16.213   83.462   15.659  110.346   10.843  108.474   10.653 1.872414 15.20026 
1 1 1  -25    1   82 o   53.508   10.929   22.147   8.3851   20.581   12.006   23.639   11.716   51.730   15.729   55.287   15.177 -3.557358 21.85712 
1 1 1  -25    1   83 o   40.204   10.295   9.5099   7.7321   1.9181   10.886   17.241   10.985   32.780   13.959   47.628   15.137 -14.84723 20.59069 
1 1 1  -25    1   84 o   71.129   9.8973   38.835   9.1991   37.086   12.967   40.607   13.053   69.315   14.280   72.943   13.708 -3.627296 19.79451 
1 1 1  -25    1   85 o   80.555   8.7940   47.916   9.5942   46.388   13.609   49.426   13.528   79.142   12.689   81.968   12.179 -2.825798 17.58803 
1 1 1  -25    2    1 o  413.390   7.0097  1160.73   36.748  1160.59   64.563  1160.79   44.694  413.196   11.530  413.584   7.9745 -0.3872681 14.01942 
1 1 1  -25    2    2 o  449.690   7.3763  1369.89   42.044  1384.70   74.140  1362.86   51.045  451.272   12.124  448.108   8.4059 3.163879 14.75269 
1 1 1  -25    2    3 o  435.038   5.8857  1283.04   34.675  1321.70   50.180  1247.70   47.970  441.298   8.3910  428.778   8.2558 12.51978 11.77148 
1 1 1  -25    2    4 o  315.916   4.9816  677.073   21.321  673.961   30.474  680.057   29.840  315.200   7.1344  316.632   6.9544 -1.431458 9.963104 
1 1 1  -25    2    5 o  524.871   8.1370  1873.86   54.863  1877.40   67.614  1867.05   93.867  525.847   9.4884  523.895   13.222 1.952576 16.27396 
1 1 1  -25    2    6 o  826.886   11.070  4632.75  107.094  4607.96  123.351  4708.63  215.827  823.545   11.053  830.227   19.183 -6.681458 22.13968 
1 1 1  -25    2    7 o  628.147   8.7970  2699.62   65.303  2717.74   75.820  2647.59  128.524  632.782   8.8419  623.513   15.211 9.268433 17.59403 
1 1 1  -25    2    8 o  761.368   10.330  3979.14   93.030  4014.78  108.132  3877.57  182.512  768.859   10.378  753.878   17.865 14.98083 20.66091 
1 1 1  -25    2    9 f  476.715   7.1863  1559.67   40.655  1577.73   47.363  1509.11   79.246  482.274   7.2471  471.155   12.412 11.11871 14.37259 
1 1 1  -25    2   10 o  466.465   7.0511  1473.29   38.804  1468.99   44.901  1485.97   77.129  465.368   7.1199  467.562   12.173 -2.193878 14.10224 
1 1 1  -25    2   11 o  393.743   6.4003  1061.38   29.992  1071.50   34.974  1033.25   58.302  397.489   6.4930  389.998   11.032 7.490601 12.80065 
1 1 1  -25    2   12 o  590.151   8.9450  2385.73   67.638  2312.24  115.497  2424.08   83.443  582.845   14.623  597.456   10.306 -14.61133 17.88994 
1 1 1  -25    2   13 o  585.280   8.8824  2335.83   66.411  2307.70  114.663  2350.03   81.466  582.288   14.531  588.272   10.219 -5.983582 17.76481 
1 1 1  -25    2   14 o  362.201   5.2995  889.841   26.009  898.446   37.099  881.523   36.474  363.921   7.5226  360.481   7.4666 3.440582 10.59905 
1 1 1  -25    2   15 o  463.444   6.1164  1457.54   38.412  1466.87   54.603  1448.39   54.045  464.911   8.6670  461.977   8.6329 2.933929 12.23284 
1 1 1  -25    2   16 o  481.904   6.2941  1576.18   41.102  1580.62   58.359  1571.81   57.899  482.574   8.9240  481.233   8.8783 1.341675 12.58819 
1 1 1  -25    2   17 o  782.865   9.1640  4167.78   97.219  4180.71  137.889  4154.99  137.091  784.069   12.978  781.661   12.942 2.407593 18.32809 
1 1 1  -25    2   18 f  617.733   7.5495  2591.93   63.196  2607.27   89.795  2576.87   88.957  619.542   10.695  615.925   10.658 3.616943 15.09904 
1 1 1  -25    2   19 o  820.390   9.5468  4576.70  106.109  4675.35  152.165  4483.33  148.041  828.980   13.545  811.799   13.457 17.18073 19.09366 
1 1 1  -25    2   20 o  531.739   8.2846  1910.88   56.038  1890.53   68.176  1953.25   98.394  527.679   9.5341  535.799   13.551 -8.120544 16.56916 
1 1 1  -25    2   21 o  301.441   6.1242  624.115   23.602  639.774   29.120  594.131   40.294  307.109   6.9972  295.774   10.053 11.33505 12.24844 
1 1 1  -25    2   22 o  441.879   5.9868  1324.42   35.839  1286.09   49.996  1364.93   51.400  435.306   8.4753  448.451   8.4580 -13.14529 11.97368 
1 1 1  -25    2   23 o  466.070   6.1858  1474.04   39.062  1501.83   55.871  1447.46   54.634  470.364   8.7653  461.776   8.7307 8.588928 12.37156 
1 1 1  -25    2   24 o  423.894   5.8359  1219.14   33.518  1242.49   47.925  1196.78   46.895  427.866   8.2655  419.922   8.2410 7.943085 11.67184 
1 1 1  -25    2   25 o  337.722   5.1926  773.246   23.755  798.068   34.164  750.014   33.052  342.964   7.3509  332.479   7.3359 10.48480 10.38514 
1 1 1  -25    2   26 o  595.545   8.9960  2411.69   68.572  2408.59   84.128  2417.82  118.366  595.383   10.427  595.707   14.663 -0.3239746 17.99207 
1 1 1  -25    2   27 o  398.747   6.8760  1082.45   35.260  1087.77   43.539  1072.32   60.103  400.332   8.0255  397.161   11.167 3.170715 13.75197 
1 1 1  -25    2   28 o  508.095   6.5891  1753.00   45.363  1724.07   63.617  1782.93   64.704  503.832   9.3177  512.359   9.3191 -8.527222 13.17815 
1 1 1  -25    2   29 o  390.617   5.5977  1035.66   29.630  1037.73   42.078  1033.62   41.730  391.002   7.9413  390.231   7.8912 0.7706909 11.19531 
1 1 1  -25    2   30 o  337.588   5.2208  773.401   23.883  775.956   33.948  770.896   33.606  338.139   7.4086  337.038   7.3580 1.100739 10.44162 
1 1 1  -25    2   31 o  620.547   7.6241  2618.23   64.112  2631.78   91.048  2604.90   90.292  622.136   10.799  618.958   10.765 3.178162 15.24820 
1 1 1  -25    2   32 o  425.693   5.9024  1230.52   34.049  1220.64   48.096  1240.44   48.208  423.977   8.3711  427.408   8.3233 -3.430573 11.80479 
1 1 1  -25    2   33 o  613.287   7.5726  2557.43   62.927  2590.86   89.826  2525.21   88.183  617.216   10.739  609.359   10.679 7.857361 15.14511 
1 1 1  -25    2   34 o  621.016   9.4039  2647.18   74.916  2569.92  127.634  2687.79   92.533  613.445   15.353  628.586   10.863 -15.14087 18.80780 
1 1 1  -25    2   35 f  330.353   6.4774  737.180   27.110  754.050   47.983  729.269   32.857  332.946   10.635  327.760   7.3977 5.185791 12.95484 
1 1 1  -25    2   36 o  536.502   8.4477  1959.89   57.828  1961.48  100.389  1959.10   70.744  536.203   13.816  536.802   9.7251 -0.5990601 16.89532 
1 1 1  -25    2   37 o  535.528   6.8759  1950.05   49.899  1944.94   70.528  1955.16   70.609  534.825   9.7312  536.231   9.7168 -1.405823 13.75181 
1 1 1  -25    2   38 o  255.864   4.8849  444.158   16.928  423.419   23.667  465.880   24.222  249.746   6.9931  261.981   6.8226 -12.23514 9.769893 
1 1 1  -25    2   39 o  400.131   5.7657  1087.70   31.263  1082.68   44.181  1092.74   44.244  399.205   8.1670  401.057   8.1408 -1.852448 11.53135 
1 1 1  -25    2   40 o  324.069   7.4635  713.227   32.776  713.227   32.776   0.0000   0.0000  324.069   7.4635  ?   ?       ?      ? 
1 1 1  -25    2   41 o  210.357   9.6458  301.023   27.497  301.023   27.497   0.0000   0.0000  210.357   9.6458  ?   ?       ?      ? 
1 1 1  -25    2   42 o  304.894   5.1971  631.447   21.469  628.068   30.627  634.712   30.103  304.084   7.4323  305.705   7.2665 -1.620575 10.39428 
1 1 1  -25    2   43 o  329.491   5.2985  737.454   23.655  722.003   33.312  753.170   33.596  326.005   7.5405  332.978   7.4455 -6.973083 10.59690 
1 1 1  -25    2   44 o  278.302   5.0193  526.032   18.928  517.550   26.679  534.628   26.859  276.040   7.1322  280.563   7.0643 -4.523773 10.03853 
1 1 1  -25    2   45 o   76.691   6.8196   40.476   6.9446   30.987   9.7541   50.229   9.8896   67.436   10.674   85.946   8.4912 -18.51044 13.63923 
1 1 1  -25    2   46 o  314.299   5.2187  671.010   22.224  684.292   31.747  658.246   31.122  317.347   7.3822  311.250   7.3786 6.097565 10.43749 
1 1 1  -25    2   47 o  386.177   5.7067  1013.99   29.864  1015.67   42.342  1012.33   42.128  386.493   8.0844  385.862   8.0567 0.6307678 11.41350 
1 1 1  -25    2   48 o  256.739   5.8998  442.211   19.604  428.344   24.178  468.824   33.496  251.080   7.1060  262.399   9.4199 -11.31871 11.79955 
1 1 1  -25    2   49 o  268.436   6.0291  493.565   20.985  501.890   26.243  478.802   34.946  271.765   7.1258  265.107   9.7275 6.657928 12.05823 
1 1 1  -25    2   50 o  136.804   5.1662  127.238   9.5741  123.145   13.525  131.349   13.554  134.592   7.4157  139.017   7.1948 -4.424698 10.33237 
1 1 1  -25    2   51 o  220.235   4.9472  328.723   14.744  350.928   21.502  309.016   20.257  227.236   6.9825  213.233   7.0102 14.00354 9.894355 
1 1 1  -25    2   52 o  204.048   5.9356  285.254   15.552  277.451   26.460  289.373   19.223  201.751   9.6781  206.345   6.8746 -4.594727 11.87122 
1 1 1  -25    2   53 o  253.054   5.0050  435.257   17.160  439.104   24.557  431.586   23.988  254.141   7.1305  251.968   7.0253 2.172577 10.00998 
1 1 1  -25    2   54 o  240.008   4.9601  391.635   16.131  391.110   22.971  392.145   22.657  239.843   7.0676  240.173   6.9613 -0.3294983 9.920258 
1 1 1  -25    2   55 o  126.300   6.8759  108.112   10.757  110.547   19.821  107.095   12.807  127.132   11.505  125.467   7.5327 1.664864 13.75180 
1 1 1  -25    2   56 o  189.286   6.2230  237.118   14.780  262.743   27.113  226.283   17.630  196.168   10.199  182.404   7.1326 13.76314 12.44592 
1 1 1  -25    2   57 o  279.637   5.2185  531.680   19.768  513.915   27.570  550.478   28.360  274.829   7.4026  284.445   7.3574 -9.615753 10.43698 
1 1 1  -25    2   58 o  372.975   7.0842  938.069   33.400  917.458   40.303  983.263   59.681  367.024   8.1033  378.927   11.622 -11.90280 14.16846 
1 1 1  -25    2   59 o  189.250   5.2243  243.470   13.390  252.678   19.340  234.991   18.558  192.681   7.4069  185.819   7.3697 6.861954 10.44868 
1 1 1  -25    2   60 f  165.691   5.3020  186.845   11.893  188.039   17.224  185.757   16.443  166.180   7.6483  165.201   7.3449 0.9799347 10.60400 
1 1 1  -25    2   61 o  297.103   6.4643  606.069   24.727  590.640   41.846  614.347   30.651  293.834   10.509  300.371   7.5302 -6.537415 12.92858 
1 1 1  -25    2   62 o  328.244   6.8451  731.702   28.499  723.429   34.583  749.213   50.312  325.849   7.8317  330.640   11.229 -4.791107 13.69014 
1 1 1  -25    2   63 f  239.098   7.2595  389.290   23.521  389.290   23.521   0.0000   0.0000  239.098   7.2595  ?   ?       ?      ? 
1 1 1  -25    2   64 o  238.116   5.1198  386.215   16.519  381.429   23.386  390.981   23.338  236.634   7.2927  239.597   7.1879 -2.962830 10.23960 
1 1 1  -25    2   65 o  258.490   5.1741  455.251   18.112  433.059   25.431  478.095   25.802  252.072   7.4448  264.907   7.1875 -12.83574 10.34821 
1 1 1  -25    2   66 o  153.482   6.1907  157.040   12.489  145.826   15.616  176.943   20.803  146.191   7.8824  160.773   9.5482 -14.58189 12.38145 
1 1 1  -25    2   67 o  168.372   6.4580  200.583   14.012  170.182   22.682  219.344   17.818  157.406   10.633  179.339   7.3317 -21.93303 12.91600 
1 1 1  -25    2   68 o  238.341   6.1854  390.103   19.012  384.323   32.146  393.211   23.577  236.607   10.026  240.074   7.2471 -3.467331 12.37085 
1 1 1  -25    2   69 o  160.682   5.2933  176.435   11.513  166.638   16.251  186.306   16.313  156.168   7.6792  165.195   7.2873 -9.027588 10.58655 
1 1 1  -25    2   70 o  266.208   5.2179  484.228   18.822  484.649   26.803  483.819   26.437  266.308   7.4269  266.108   7.3311 0.1993408 10.43575 
1 1 1  -25    2   71 o   91.751   6.8304   58.079   8.4626   55.998   12.361   59.915   11.610   90.131   10.120   93.371   9.1760 -3.240181 13.66080 
1 1 1  -25    2   72 o  226.499   6.5311  352.280   18.498  355.220   33.368  350.975   22.226  226.501   10.871  226.497   7.2414 0.3540039E-02 13.06217 
1 1 1  -25    2   73 o  107.409   8.0025   72.791   10.719   62.679   12.553  100.007   20.595   95.271   9.7232  119.546   12.713 -24.27455 16.00503 
1 1 1  -25    2   74 o   65.481   8.5655   30.482   7.4384   32.792   10.589   28.231   10.451   68.586   11.393   62.377   12.793 6.209427 17.13099 
1 1 1  -25    2   75 o  254.158   5.1832  443.416   17.851  443.848   25.324  442.989   25.168  254.273   7.3494  254.044   7.3107 0.2286835 10.36630 
1 1 1  -25    2   76 o   87.553   6.7336   53.248   7.9715   49.023   11.229   57.539   11.318   83.972   9.8682   91.133   9.1644 -7.160866 13.46728 
1 1 1  -25    2   77 o  164.627   5.1832  186.457   11.561  190.664   16.562  182.459   16.145  166.433   7.3431  162.822   7.3173 3.611526 10.36647 
1 1 1  -25    2   78 o   43.379   8.0145   11.199   6.3032  -5.4218   8.9988   27.209   8.8316   25.415   11.631   61.342   11.030 -35.92652 16.02894 
1 1 1  -25    2   79 o   55.514   8.9829   22.939   6.6363   19.540   9.4119   26.299   9.3585   51.160   13.412   59.869   11.954 -8.709106 17.96578 
1 1 1  -25    2   80 o  114.429   6.5992   90.940   9.8919   88.705   12.427   94.806   16.343  112.983   8.1162  115.876   10.408 -2.893227 13.19842 
1 1 1  -25    2   81 o   80.654   9.0602   47.888   9.5842   41.109   13.557   54.661   13.551   73.886   14.054   87.421   11.438 -13.53510 18.12039 
1 1 1  -25    2   82 o   96.858   8.1096   67.844   10.543   58.085   14.988   77.402   14.833   89.470   12.362  104.247   10.500 -14.77735 16.21922 
1 1 1  -25    2   83 f   84.794   9.0360   52.743   9.9726   66.510   14.818   41.345   13.483   95.973   11.394   73.614   14.028 22.35844 18.07206 
1 1 1  -25    2   84 o   78.918   9.2607   46.444   9.6866   50.474   14.200   42.936   13.248   82.744   12.664   75.092   13.516 7.652328 18.52140 
1 1 1  -25    3    1 o  263.555   6.4019  471.158   22.864   0.0000   0.0000  471.158   22.864  ?   ?   263.555   6.4019      ?      ? 
1 1 1  -25    3    2 o  162.070   4.3585  178.387   9.5476  174.553   13.931  181.783   13.111  160.419   6.4082  163.721   5.9095 -3.301605 8.717074 
1 1 1  -25    3    3 o  268.694   4.6697  489.256   16.986  499.444   24.681  480.090   23.412  271.343   6.7122  266.044   6.4938 5.299713 9.339308 
1 1 1  -25    3    4 o  120.851   5.1661  102.725   7.4574  107.193   8.7954   91.300   14.065  125.737   5.1619  115.965   8.9503 9.771530 10.33217 
1 1 1  -25    3    5 o  308.961   5.5751  651.442   20.531  655.554   23.942  640.018   39.912  310.926   5.6823  306.996   9.5937 3.930023 11.15024 
1 1 1  -25    3    6 o  309.839   5.5844  654.904   20.658  658.812   24.110  644.109   40.066  311.698   5.7079  307.980   9.6001 3.718506 11.16882 
1 1 1  -25    3    7 o  237.003   5.0872  381.179   14.520  381.318   17.006  380.806   27.893  237.150   5.2917  236.857   8.6901 0.2926636 10.17447 
1 1 1  -25    3    8 o  358.181   6.0147  876.574   25.696  883.124   29.985  858.464   49.858  360.863   6.1316  355.499   10.349 5.364319 12.02936 
1 1 1  -25    3    9 o  498.152   7.3729  1696.63   43.634  1708.64   50.805  1662.85   85.187  501.841   7.4706  494.462   12.713 7.378937 14.74577 
1 1 1  -25    3   10 o  449.078   6.8797  1378.28   36.774  1388.07   42.861  1350.96   71.591  452.359   6.9919  445.798   11.851 6.560577 13.75940 
1 1 1  -25    3   11 o  523.866   7.6605  1873.44   47.594  1883.07   55.338  1846.04   93.290  526.812   7.7515  520.919   13.215 5.893250 15.32101 
1 1 1  -25    3   12 o  840.799   11.262  4850.45  112.008  4885.25  130.143  4751.03  219.972  847.863   11.327  833.735   19.470 14.12799 22.52476 
1 1 1  -25    3   13 o  865.145   11.549  5118.65  117.864  5135.46  136.618  5069.73  233.084  869.242   11.598  861.047   19.976 8.194702 23.09856 
1 1 1  -25    3   14 o  532.910   8.2979  1935.03   56.406  1916.46   97.740  1944.31   69.068  530.699   13.591  535.121   9.5245 -4.421387 16.59581 
1 1 1  -25    3   15 o  456.263   7.4559  1409.54   43.223  1427.50   75.901  1400.92   52.582  458.206   12.224  454.320   8.5407 3.885254 14.91187 
1 1 1  -25    3   16 o  497.286   6.4293  1678.71   43.324  1687.82   61.670  1669.83   60.875  498.615   9.1270  495.957   9.0576 2.657257 12.85851 
1 1 1  -25    3   17 o  368.284   7.6186  920.263   38.022  920.263   38.022   0.0000   0.0000  368.284   7.6186  ?   ?       ?      ? 
1 1 1  -25    3   18 o  235.667   4.5686  376.780   14.586  371.516   20.778  381.895   20.482  234.041   6.5513  237.294   6.3693 -3.253067 9.137206 
1 1 1  -25    3   19 o  319.090   5.0162  690.583   21.687  698.100   31.013  683.389   30.338  320.787   7.1341  317.393   7.0536 3.393585 10.03236 
1 1 1  -25    3   20 o  312.777   4.9791  663.576   21.101  668.711   30.138  658.638   29.554  313.962   7.0835  311.593   6.9993 2.369293 9.958208 
1 1 1  -25    3   21 o  125.095   4.6983  106.022   7.9598  110.177   11.495  102.195   11.033  127.447   6.6559  122.744   6.6328 4.702927 9.396559 
1 1 1  -25    3   22 o  276.410   6.7926  518.285   25.443  518.285   25.443   0.0000   0.0000  276.410   6.7926  ?   ?       ?      ? 
1 1 1  -25    3   23 o  170.503   6.4762  197.190   14.964  197.190   14.964   0.0000   0.0000  170.503   6.4762  ?   ?       ?      ? 
1 1 1  -25    3   24 o  242.869   5.6104  404.124   17.644  413.667   22.067  387.210   29.379  246.945   6.5941  238.794   9.0788 8.150131 11.22084 
1 1 1  -25    3   25 o  271.963   4.7805  501.560   17.614  511.011   25.269  492.629   24.565  274.453   6.7943  269.474   6.7268 4.978363 9.560974 
1 1 1  -25    3   26 o  244.948   4.6556  407.008   15.451  408.021   22.068  406.034   21.641  245.245   6.6403  244.652   6.5274 0.5927887 9.311281 
1 1 1  -25    3   27 o  334.066   5.1764  757.344   23.433  753.480   33.212  761.175   33.067  333.215   7.3552  334.917   7.2858 -1.701965 10.35284 
1 1 1  -25    3   28 o  284.193   4.8862  547.681   18.811  561.046   27.029  535.127   26.197  287.552   6.9363  280.834   6.8837 6.717773 9.772341 
1 1 1  -25    3   29 o  394.183   5.6443  1054.10   30.139  1083.97   43.330  1026.10   41.950  399.587   8.0020  388.779   7.9625 10.80826 11.28860 
1 1 1  -25    3   30 o  485.867   6.3970  1603.27   42.114  1623.99   60.133  1583.33   58.999  488.942   9.0755  482.791   9.0178 6.150787 12.79394 
1 1 1  -25    3   31 o  725.378   8.6488  3582.28   85.016  3595.14  120.584  3569.57  119.880  726.668   12.245  724.088   12.217 2.580017 17.29763 
1 1 1  -25    3   32 o  734.325   10.723  3666.39  100.229  3726.01  175.438  3637.50  122.120  737.795   17.547  730.856   12.330 6.939453 21.44616 
1 1 1  -25    3   33 o  588.696   9.0133  2363.62   67.779  2354.25  117.254  2368.32   83.062  587.271   14.733  590.121   10.387 -2.850220 18.02666 
1 1 1  -25    3   34 o  749.835   12.580  3831.03  127.824   0.0000   0.0000  3831.03  127.824  ?   ?   749.835   12.580      ?      ? 
1 1 1  -25    3   35 o  648.244   11.217  2872.44   98.507  2915.66  141.514  2831.82  137.205  652.923   15.994  643.565   15.732 9.358704 22.43471 
1 1 1  -25    3   36 o  285.329   6.9659  554.187   26.899  522.369   38.087  585.850   37.994  277.119   10.142  293.539   9.5514 -16.42032 13.93173 
1 1 1  -25    3   37 o  307.008   6.3075  647.076   24.721  621.088   42.416  660.444   30.422  302.126   10.360  311.889   7.1979 -9.763580 12.61503 
1 1 1  -25    3   38 o  420.561   5.9076  1201.62   33.664  1213.69   48.070  1190.00   47.160  422.628   8.3933  418.494   8.3158 4.134430 11.81519 
1 1 1  -25    3   39 o  478.022   6.3909  1552.89   41.389  1585.39   59.338  1522.10   57.759  482.885   9.0680  473.159   9.0081 9.726074 12.78174 
1 1 1  -25    3   40 o  392.146   5.7058  1044.89   30.320  1044.94   43.042  1044.85   42.719  392.151   8.0994  392.141   8.0389 0.9826660E-02 11.41164 
1 1 1  -25    3   41 o  266.830   6.1687  476.217   20.784  463.032   25.017  505.594   37.342  261.121   7.0698  272.540   10.111 -11.41846 12.33745 
1 1 1  -25    3   42 o  236.982   6.1286  384.171   18.341  388.348   22.285  375.404   32.287  239.143   6.8767  234.820   10.146 4.322388 12.25718 
1 1 1  -25    3   43 o  384.202   5.6509  1003.24   29.420  1003.55   41.736  1002.93   41.479  384.258   8.0150  384.145   7.9680 0.1125793 11.30172 
1 1 1  -25    3   44 o  285.300   5.0384  552.935   19.478  550.750   27.686  555.077   27.408  284.737   7.1751  285.863   7.0751 -1.126343 10.07670 
1 1 1  -25    3   45 o  321.135   5.2487  700.249   22.833  720.944   32.824  680.847   31.782  325.727   7.4363  316.543   7.4091 9.184174 10.49737 
1 1 1  -25    3   46 f  368.723   5.5777  924.197   27.868  931.359   39.661  917.213   39.168  370.131   7.9072  367.315   7.8688 2.815643 11.15531 
1 1 1  -25    3   47 o  275.746   6.0329  520.393   21.586  528.367   27.007  506.292   35.916  278.853   7.1470  272.638   9.7212 6.215271 12.06572 
1 1 1  -25    3   48 o  195.658   5.7561  261.718   14.687  265.440   18.490  255.354   24.178  197.657   6.9030  193.658   9.2129 3.998688 11.51210 
1 1 1  -25    3   49 o  237.775   4.9330  383.837   15.887  395.368   22.919  373.173   22.042  241.206   7.0118  234.345   6.9407 6.861053 9.866091 
1 1 1  -25    3   50 f  239.506   4.9580  389.936   16.084  374.654   22.694  405.359   22.798  234.778   7.1329  244.235   6.8884 -9.457016 9.916045 
1 1 1  -25    3   51 o  413.625   5.9535  1164.44   33.368  1144.08   47.040  1185.06   47.340  409.974   8.4669  417.275   8.3719 -7.300720 11.90701 
1 1 1  -25    3   52 o  420.248   7.3537  1205.81   39.473  1203.44   68.318  1206.99   48.363  419.436   12.019  421.060   8.4760 -1.623657 14.70745 
1 1 1  -25    3   53 o  281.284   5.1351  538.129   19.570  528.106   27.740  548.060   27.613  278.664   7.3459  283.904   7.1773 -5.239471 10.27011 
1 1 1  -25    3   54 o  298.931   6.4703  612.693   24.554  598.583   42.779  619.626   29.986  296.033   10.664  301.829   7.3311 -5.796539 12.94057 
1 1 1  -25    3   55 o  185.441   6.2179  236.614   14.513  228.061   25.606  240.663   17.616  182.747   10.340  188.134   6.9095 -5.387482 12.43577 
1 1 1  -25    3   56 o  220.520   4.9847  330.676   14.893  333.676   21.320  327.816   20.813  221.491   7.1030  219.550   6.9954 1.940796 9.969344 
1 1 1  -25    3   57 o  247.060   5.0988  415.234   17.070  419.147   24.267  411.402   24.016  248.212   7.2147  245.909   7.2069 2.303085 10.19758 
1 1 1  -25    3   58 o  168.723   7.0454  201.796   14.609  213.372   17.618  176.318   26.138  177.070   7.3422  160.377   12.027 16.69337 14.09074 
1 1 1  -25    3   59 o  171.716   5.2572  200.812   12.227  196.514   17.450  204.957   17.137  169.895   7.5795  173.537   7.2871 -3.642456 10.51431 
1 1 1  -25    3   60 o  256.867   5.1273  449.172   17.844  441.424   25.308  456.831   25.164  254.650   7.3338  259.083   7.1673 -4.432602 10.25451 
1 1 1  -25    3   61 o  387.434   5.8308  1022.72   30.604  1048.43   43.907  998.418   42.681  392.163   8.2621  382.704   8.2298 9.459106 11.66150 
1 1 1  -25    3   62 o  220.654   5.0979  331.180   15.236  342.023   21.978  321.149   21.139  224.124   7.2363  217.184   7.1826 6.938995 10.19580 
1 1 1  -25    3   63 o   99.384   6.3385   67.482   8.5306   66.626   12.250   68.289   11.886   98.755   9.1540  100.014   8.7700 -1.258781 12.67706 
1 1 1  -25    3   64 o  157.168   5.3042  168.318   11.294  169.843   16.179  166.868   15.774  157.855   7.5634  156.481   7.4387 1.373566 10.60842 
1 1 1  -25    3   65 o  145.983   6.3398  141.750   12.177  130.411   15.233  161.825   20.268  138.228   8.1321  153.738   9.7284 -15.51028 12.67968 
1 1 1  -25    3   66 f  199.671   7.0579  272.585   19.039  304.023   27.652  244.244   26.254  210.657   9.6865  188.686   10.268 21.97083 14.11576 
1 1 1  -25    3   67 o  120.697   8.4907  101.899   13.672  111.567   18.411   90.012   20.414  127.398   10.664  113.995   13.215 13.40265 16.98134 
1 1 1  -25    3   68 o  204.952   7.3495  289.762   20.327  300.991   27.860  276.978   29.724  209.374   9.8191  200.530   10.938 8.843231 14.69895 
1 1 1  -25    3   69 o  191.575   5.2012  249.966   13.478  271.733   19.620  230.513   18.548  199.471   7.2583  183.680   7.4515 15.79007 10.40234 
1 1 1  -25    3   70 o  238.683   5.1470  389.270   16.639  392.121   23.970  386.620   23.114  239.496   7.3857  237.870   7.1705 1.625244 10.29394 
1 1 1  -25    3   71 o  104.016   8.2551   76.790   10.365   71.204   19.369   79.031   12.269  100.713   14.192  107.318   8.4362 -6.605515 16.51011 
1 1 1  -25    3   72 o  216.094   5.2108  319.686   15.257  323.764   21.824  315.788   21.336  217.430   7.4068  214.758   7.3314 2.671860 10.42161 
1 1 1  -25    3   73 f  132.205   7.3748  123.556   12.126  127.535   14.656  114.922   21.588  136.279   7.9360  128.131   12.433 8.148209 14.74967 
1 1 1  -25    3   74 o  117.885   5.8053   95.332   9.2540  104.460   13.492   87.223   12.717  123.225   8.0797  112.545   8.3381 10.67975 11.61054 
1 1 1  -25    3   75 o   76.190   7.3215   40.750   7.4820   34.803   10.709   46.421   10.458   70.540   11.203   81.841   9.4293 -11.30150 14.64303 
1 1 1  -25    3   76 o  100.090   6.1769   69.434   8.3598   64.274   11.824   74.591   11.821   96.286   9.0622  103.893   8.3960 -7.607086 12.35378 
1 1 1  -25    3   77 o  114.412   5.7585   90.290   8.8797  103.893   12.901   78.043   12.241  122.687   7.7596  106.137   8.5106 16.55013 11.51700 
1 1 1  -25    3   78 o   75.745   7.1944   40.120   7.3105   48.209   10.670   32.964   10.037   83.091   9.4758   68.399   10.828 14.69206 14.38877 
1 1 1  -25    3   79 o  115.592   5.6851   92.506   8.8863  101.364   12.872   84.439   12.283  120.929   7.8545  110.254   8.2212 10.67506 11.37023 
1 1 1  -25    3   80 o   84.454   8.5822   54.935   8.8717   65.650   11.519   39.311   13.909   96.926   8.7697   71.982   14.755 24.94434 17.16447 
1 1 1  -25    3   81 o  110.922   7.8219   88.169   11.706   79.705   16.642   96.457   16.468  105.319   11.661  116.526   10.429 -11.20711 15.64380 
1 1 1  -25    3   82 f  141.408   7.2699  142.066   13.912  151.622   20.265  133.548   19.133  145.916   10.249  136.900   10.313 9.015137 14.53971 
1 1 1  -25    3   83 o  161.647   7.1518  186.006   15.640  200.361   22.848  173.348   21.454  167.539   10.063  155.756   10.165 11.78246 14.30357 
1 1 1  -25    3   84 o  130.199   7.3680  121.988   12.997  120.590   18.510  123.348   18.253  129.362   10.559  131.037   10.279 -1.675385 14.73603 
1 1 1  -25    4    1 o  258.763   5.6426  457.396   18.968  464.863   23.771  444.308   31.471  261.759   6.7015  255.767   9.0799 5.992477 11.28512 
1 1 1  -25    4    2 o  375.050   6.6453  968.427   32.261  1001.67   40.455  910.364   53.467  384.159   7.7711  365.941   10.782 18.21841 13.29053 
1 1 1  -25    4    3 o  358.257   6.0780  870.546   29.508  870.546   29.508   0.0000   0.0000  358.257   6.0780  ?   ?       ?      ? 
1 1 1  -25    4    4 o  387.562   6.2308  1022.78   28.757  1025.95   33.491  1013.89   56.104  388.906   6.3549  386.218   10.720 2.688232 12.46163 
1 1 1  -25    4    5 f  533.021   7.7116  1933.92   48.699  1936.77   56.540  1925.75   95.852  534.199   7.8104  531.844   13.299 2.355469 15.42328 
1 1 1  -25    4    6 o  361.434   6.0109  891.023   25.964  895.763   30.314  877.972   50.301  363.413   6.1554  359.455   10.326 3.957397 12.02185 
1 1 1  -25    4    7 o  190.296   4.9173  249.336   11.353  254.078   13.423  237.413   21.284  193.578   5.1168  187.013   8.3986 6.565323 9.834501 
1 1 1  -25    4    8 o  409.055   6.4870  1155.04   31.825  1177.56   37.372  1095.62   60.706  416.646   6.6191  401.464   11.158 15.18164 12.97395 
1 1 1  -25    4    9 o  437.806   6.7782  1324.73   35.593  1352.28   41.814  1252.27   67.823  446.465   6.9111  429.148   11.662 17.31693 13.55641 
1 1 1  -25    4   10 o  344.536   5.9226  823.923   24.591  846.791   29.022  765.721   46.301  353.351   6.0610  335.722   10.177 17.62881 11.84522 
1 1 1  -25    4   11 o  200.327   4.9878  277.754   12.233  285.510   14.581  259.323   22.478  205.202   5.2434  195.453   8.4865 9.748413 9.975693 
1 1 1  -25    4   12 o  260.183   5.3192  473.428   16.815  492.770   20.019  427.076   30.990  269.574   5.4799  250.792   9.1185 18.78227 10.63848 
1 1 1  -25    4   13 o  266.087   5.3594  490.840   17.284  504.467   20.469  456.983   32.263  272.753   5.5379  259.421   9.1775 13.33170 10.71885 
1 1 1  -25    4   14 f  204.379   5.0675  290.238   12.678  300.015   15.136  267.245   23.211  210.348   5.3098  198.410   8.6328 11.93800 10.13503 
1 1 1  -25    4   15 o  343.791   5.9159  809.159   24.507  817.505   28.787  787.183   46.714  347.184   6.1185  340.399   10.127 6.784760 11.83175 
1 1 1  -25    4   16 o  447.054   8.4653  1359.27   51.265  1356.82   73.485  1361.59   71.553  446.638   12.141  447.469   11.800 -0.8312073 16.93064 
1 1 1  -25    4   17 o  419.162   8.1405  1193.06   46.188  1225.21   67.254  1164.37   63.542  424.477   11.692  413.847   11.330 10.63000 16.28102 
1 1 1  -25    4   18 o  190.427   5.3019  247.718   13.172  252.348   16.608  239.866   21.625  192.882   6.3538  187.973   8.4895 4.909424 10.60387 
1 1 1  -25    4   19 o  356.836   6.3908  864.793   29.426  865.122   36.428  864.174   49.917  357.053   7.5288  356.619   10.329 0.4340515 12.78168 
1 1 1  -25    4   20 o  525.449   6.6936  1875.31   47.661  1858.93   67.368  1891.73   67.438  523.146   9.5026  527.752   9.4296 -4.605652 13.38721 
1 1 1  -25    4   21 o  385.530   5.5111  1007.52   28.773  1042.96   41.651  975.162   39.794  392.004   7.8407  379.056   7.7469 12.94763 11.02229 
1 1 1  -25    4   22 o  361.465   5.3394  886.764   26.152  881.857   37.186  891.566   36.785  360.471   7.6126  362.459   7.4891 -1.988464 10.67884 
1 1 1  -25    4   23 o  387.802   6.8171  1006.61   33.526  980.037   40.520  1064.28   59.693  379.980   7.8691  395.624   11.134 -15.64395 13.63421 
1 1 1  -25    4   24 o  253.568   5.8036  433.719   18.768  428.362   22.879  444.742   32.817  251.271   6.7192  255.865   9.4646 -4.593582 11.60722 
1 1 1  -25    4   25 o  227.189   4.5939  350.219   14.139  347.584   20.189  352.755   19.808  226.346   6.5822  228.031   6.4102 -1.685333 9.187756 
1 1 1  -25    4   26 o  330.949   5.1639  743.333   23.158  733.003   32.693  753.735   32.808  328.639   7.3410  333.260   7.2645 -4.620972 10.32779 
1 1 1  -25    4   27 o  392.383   5.6191  1045.18   29.876  1027.22   42.048  1063.49   42.458  388.977   7.9769  395.789   7.9161 -6.812775 11.23819 
1 1 1  -25    4   28 o  395.237   5.6583  1060.32   30.301  1034.04   42.479  1087.54   43.235  390.249   8.0324  400.224   7.9716 -9.974457 11.31662 
1 1 1  -25    4   29 o  510.078   8.0919  1769.43   52.677  1773.74   91.449  1767.29   64.443  510.174   13.227  509.982   9.3248 0.1920776 16.18386 
1 1 1  -25    4   30 o  336.471   6.4189  766.574   27.600  777.249   47.932  761.278   33.759  338.063   10.463  334.879   7.4391 3.184296 12.83786 
1 1 1  -25    4   31 o  397.259   7.9476  1073.82   42.767  1080.92   61.479  1067.16   59.531  398.509   11.384  396.009   11.093 2.500580 15.89529 
1 1 1  -25    4   32 o  509.430   8.0978  1753.34   52.433  1805.26   92.359  1728.65   63.691  514.547   13.246  504.311   9.3196 10.23611 16.19568 
1 1 1  -25    4   33 o  276.358   4.9362  518.485   18.476  496.046   26.024  541.290   26.235  270.320   7.1041  282.397   6.8554 -12.07724 9.872355 
1 1 1  -25    4   34 o  279.813   4.9506  531.548   18.768  528.762   26.774  534.240   26.315  279.086   7.0794  280.540   6.9220 -1.453827 9.901174 
1 1 1  -25    4   35 o  268.411   6.0625  485.916   20.484  499.416   36.737  479.825   24.676  270.957   10.005  265.866   6.8491 5.089966 12.12494 
1 1 1  -25    4   36 o  432.139   6.0010  1268.95   35.137  1272.59   50.173  1265.46   49.222  432.735   8.5559  431.542   8.4170 1.192963 12.00203 
1 1 1  -25    4   37 o  493.132   6.5149  1653.04   43.528  1678.84   62.340  1628.48   60.803  496.878   9.2584  489.386   9.1684 7.492371 13.02984 
1 1 1  -25    4   38 o  391.519   5.6983  1041.54   30.229  1020.88   42.646  1062.41   42.856  387.608   8.1191  395.430   7.9976 -7.822144 11.39657 
1 1 1  -25    4   39 o  328.785   5.2616  734.319   23.440  730.031   33.349  738.505   32.953  327.830   7.5069  329.741   7.3745 -1.911743 10.52313 
1 1 1  -25    4   40 o  324.870   5.2418  716.850   23.073  721.055   32.948  712.803   32.322  325.799   7.4626  323.941   7.3630 1.858551 10.48351 
1 1 1  -25    4   41 o  367.765   6.8961  923.051   32.289  927.873   39.472  913.298   56.136  369.509   7.8828  366.022   11.318 3.487396 13.79221 
1 1 1  -25    4   42 o  426.542   7.4049  1229.35   40.067  1211.16   48.576  1268.06   70.868  422.039   8.4934  431.044   12.132 -9.005035 14.80989 
1 1 1  -25    4   43 o  302.788   5.1541  622.432   21.140  640.489   30.401  605.524   29.417  307.035   7.3066  298.541   7.2714 8.494202 10.30822 
1 1 1  -25    4   44 o  645.857   7.9467  2845.19   69.551  2847.95   98.553  2842.45   98.168  646.163   11.255  645.552   11.222 0.6110229 15.89347 
1 1 1  -25    4   45 o  495.593   7.9894  1677.66   50.906  1681.76   62.817  1669.83   86.886  497.022   9.3264  494.164   12.975 2.858093 15.97886 
1 1 1  -25    4   46 o  399.533   6.9977  1084.07   36.005  1076.40   44.401  1098.81   61.527  397.813   8.2363  401.254   11.315 -3.440460 13.99538 
1 1 1  -25    4   47 o  277.617   5.0634  523.374   19.041  539.012   27.398  508.763   26.482  281.624   7.1790  273.611   7.1423 8.012238 10.12676 
1 1 1  -25    4   48 o  215.273   4.9149  315.086   14.329  308.823   20.494  321.076   20.043  213.166   7.0945  217.380   6.8039 -4.214127 9.829802 
1 1 1  -25    4   49 o  249.615   4.9780  423.098   16.829  434.953   24.304  412.177   23.327  252.966   7.0898  246.265   6.9899 6.701263 9.956088 
1 1 1  -25    4   50 o  198.459   4.9219  267.776   13.231  264.857   18.927  270.565   18.503  197.391   7.0759  199.527   6.8433 -2.136230 9.843772 
1 1 1  -25    4   51 o  318.398   5.3136  688.750   22.913  711.648   33.108  667.703   31.743  323.465   7.5531  313.331   7.4758 10.13409 10.62718 
1 1 1  -25    4   52 o  350.176   7.7425  834.305   36.741   0.0000   0.0000  834.305   36.741  ?   ?   350.176   7.7425      ?      ? 
1 1 1  -25    4   53 o  257.887   6.3211  458.056   20.551  439.731   36.110  466.836   24.994  253.752   10.501  262.022   7.0391 -8.269165 12.64210 
1 1 1  -25    4   54 o  276.039   5.1254  518.358   19.168  515.152   27.354  521.452   26.869  275.188   7.3351  276.891   7.1607 -1.703278 10.25080 
1 1 1  -25    4   55 o  249.967   5.0581  425.242   17.124  409.961   24.285  440.351   24.148  245.478   7.3003  254.455   7.0031 -8.977051 10.11624 
1 1 1  -25    4   56 o  184.572   5.0695  231.669   12.675  234.764   18.239  228.779   17.626  185.756   7.2456  183.389   7.0924 2.367523 10.13906 
1 1 1  -25    4   57 o  131.680   7.6275  115.642   12.458  111.475   14.760  125.969   23.235  127.889   8.5165  135.470   12.656 -7.581039 15.25497 
1 1 1  -25    4   58 o  367.733   7.1619  925.977   33.398  929.406   40.670  918.875   58.526  369.340   8.1258  366.125   11.796 3.214264 14.32385 
1 1 1  -25    4   59 o  221.367   5.0423  333.081   15.116  348.557   21.808  318.769   20.972  226.313   7.1109  216.421   7.1508 9.891861 10.08459 
1 1 1  -25    4   60 o  236.826   5.0523  380.859   16.195  405.402   23.552  358.848   22.304  244.049   7.1215  229.603   7.1684 14.44653 10.10454 
1 1 1  -25    4   61 o  194.330   5.0503  257.050   13.296  259.278   19.067  254.941   18.550  195.141   7.2104  193.520   7.0735 1.620956 10.10067 
1 1 1  -25    4   62 o  189.189   5.0819  243.685   13.025  246.510   18.681  241.012   18.171  190.248   7.2460  188.130   7.1274 2.117523 10.16388 
1 1 1  -25    4   63 o  220.460   5.0731  331.116   15.154  324.325   21.430  337.908   21.431  218.187   7.2478  222.734   7.1004 -4.546356 10.14621 
1 1 1  -25    4   64 o   86.383   8.1448   52.154   9.2429   55.276   11.927   47.460   14.625   89.846   9.7959   82.920   13.015 6.926430 16.28955 
1 1 1  -25    4   65 o  127.892   6.5328  110.252   11.060  104.481   14.043  119.677   17.948  123.665   8.3800  132.119   10.024 -8.453804 13.06570 
1 1 1  -25    4   66 o   95.131   6.6782   62.501   8.4840   50.097   11.935   75.172   12.063   85.412   10.311  104.851   8.4897 -19.43909 13.35650 
1 1 1  -25    4   67 o   87.824   7.9714   49.839   9.1391   66.536   15.729   41.328   11.229   98.156   11.825   77.493   10.693 20.66341 15.94271 
1 1 1  -25    4   68 o  208.928   5.1241  298.349   14.494  289.118   20.726  307.184   20.277  205.719   7.4346  212.136   7.0535 -6.416534 10.24813 
1 1 1  -25    4   69 f  132.227   5.6428  119.479   10.102  125.744   14.643  113.789   13.955  135.530   7.9726  128.924   7.9876 6.605942 11.28558 
1 1 1  -25    4   70 o  170.783   6.7443  202.973   14.222  195.400   25.910  206.239   17.014  167.902   11.388  173.663   7.2296 -5.761246 13.48861 
1 1 1  -25    4   71 o  206.727   6.4200  292.285   16.730  299.378   29.857  289.039   20.200  207.957   10.595  205.497   7.2536 2.460510 12.84000 
1 1 1  -25    4   72 o  285.996   7.6505  568.465   29.610  581.362   41.123  554.580   42.669  289.581   10.479  282.410   11.149 7.170593 15.30105 
1 1 1  -25    4   73 o  177.057   6.6804  220.601   14.910  227.851   18.220  205.899   25.945  182.237   7.3777  171.876   11.139 10.36061 13.36079 
1 1 1  -25    4   74 o   59.359   9.2463   25.779   7.2300   25.506   9.9781   26.081   10.491   59.084   12.830   59.634   13.318 -0.5499191 18.49256 
1 1 1  -25    4   75 o  137.334   5.3734  129.751   9.9839  140.199   14.321  119.871   13.926  142.765   7.4023  131.904   7.7910 10.86134 10.74680 
1 1 1  -25    4   76 o   90.928   6.4558   57.474   7.9475   54.731   11.243   60.213   11.236   88.702   9.3533   93.154   8.9008 -4.451012 12.91155 
1 1 1  -25    4   77 o  190.373   5.1211  249.686   13.206  260.107   18.932  239.811   18.429  194.262   7.1917  186.484   7.2926 7.777573 10.24216 
1 1 1  -25    4   78 o  175.277   5.1710  212.218   12.257  194.887   17.159  230.278   17.516  167.863   7.5432  182.692   7.0751 -14.82970 10.34194 
1 1 1  -25    4   79 o   74.451   8.7314   41.257   8.2328   44.206   10.540   36.644   13.185   79.265   9.8127   69.638   14.445 9.627205 17.46284 
1 1 1  -25    4   80 o  121.225   7.4358  104.399   12.201  103.625   17.644  105.108   16.889  120.646   10.792  121.804   10.232 -1.158539 14.87156 
1 1 1  -25    4   81 o   94.307   8.3661   64.190   10.662   70.735   15.345   58.080   14.825   99.151   11.420   89.463   12.229 9.688042 16.73221 
1 1 1  -25    4   82 o  109.868   7.8865   87.567   11.553   69.971   16.212  105.720   16.467   97.916   12.218  121.820   9.9752 -23.90443 15.77294 
1 1 1  -25    4   83 o   72.729   9.8011   40.177   9.3457   57.874   13.824   25.281   12.683   89.222   11.433   56.236   15.922 32.98582 19.60214 
1 1 1  -25    4   84 o   69.951   13.863   37.874   12.677   0.0000   0.0000   37.874   12.677  ?   ?    69.951   13.863      ?      ? 
1 1 1  -25    5    1 o  600.487   9.0319  2428.20   68.302  2532.19  122.789  2381.61   82.191  609.122   14.876  591.852   10.248 17.26947 18.06376 
1 1 1  -25    5    2 o  607.127   9.0743  2557.06   71.565  2688.89   90.610  2338.47  116.680  628.813   10.633  585.442   14.707 43.37170 18.14860 
1 1 1  -25    5    3 o  334.239   6.0741  767.335   26.315  789.659   33.004  728.373   43.602  341.109   7.1399  327.370   9.8285 13.73981 12.14813 
1 1 1  -25    5    4 o  247.758   5.3842  421.138   17.335  433.169   21.806  400.478   28.575  252.684   6.3682  242.831   8.6837 9.853348 10.76847 
1 1 1  -25    5    5 o  621.730   10.691  2628.31   90.070  2628.31   90.070   0.0000   0.0000  621.730   10.691  ?   ?       ?      ? 
1 1 1  -25    5    6 o  503.429   9.1316  1721.57   62.297  1721.57   62.297   0.0000   0.0000  503.429   9.1316  ?   ?       ?      ? 
1 1 1  -25    5    7 o  512.428   7.9408  1789.44   52.322  1797.21   64.593  1774.59   89.225  514.358   9.2670  510.498   12.898 3.860718 15.88162 
1 1 1  -25    5    8 o  526.778   8.1103  1897.10   55.036  1918.88   68.208  1856.45   93.169  531.460   9.4707  522.096   13.169 9.363953 16.22055 
1 1 1  -25    5    9 o  490.661   7.6931  1638.68   48.562  1642.56   59.955  1631.29   82.805  491.775   8.9965  489.547   12.482 2.227753 15.38610 
1 1 1  -25    5   10 o  246.852   5.2510  425.821   15.914  444.158   19.087  384.009   28.822  255.917   5.5037  237.786   8.9445 18.13139 10.50209 
1 1 1  -25    5   11 o  437.601   6.7670  1321.65   35.628  1346.96   41.912  1255.72   67.646  445.550   6.9416  429.652   11.618 15.89798 13.53406 
1 1 1  -25    5   12 o  488.123   7.2988  1654.39   42.872  1697.93   50.539  1542.64   80.962  500.186   7.4562  476.060   12.550 24.12662 14.59767 
1 1 1  -25    5   13 o  492.003   7.3380  1677.19   43.401  1716.35   51.091  1575.67   82.258  502.888   7.4970  481.118   12.617 21.76938 14.67592 
1 1 1  -25    5   14 f  440.125   6.8231  1347.46   36.242  1387.60   42.838  1246.37   67.979  452.217   6.9904  428.033   11.720 24.18399 13.64614 
1 1 1  -25    5   15 o  249.018   5.1921  422.365   15.803  424.418   18.701  417.241   29.552  250.165   5.5164  247.871   8.7979 2.294556 10.38426 
1 1 1  -25    5   16 o  484.518   7.2530  1610.22   42.051  1627.20   49.203  1564.20   80.993  489.658   7.4151  479.378   12.468 10.28024 14.50604 
1 1 1  -25    5   17 f  524.049   8.1376  1852.70   54.806  1820.44   67.263  1916.43   94.533  517.630   9.5890  530.467   13.150 -12.83649 16.27528 
1 1 1  -25    5   18 o  513.951   8.1173  1792.46   52.950  1809.31   93.083  1784.41   64.382  515.380   13.328  512.522   9.2698 2.857422 16.23451 
1 1 1  -25    5   19 o  514.996   6.5994  1801.24   46.048  1828.88   65.928  1774.92   64.343  518.845   9.3767  511.147   9.2891 7.698608 13.19884 
1 1 1  -25    5   20 o  613.715   7.5218  2560.64   62.551  2580.50   89.124  2541.36   87.812  616.052   10.676  611.377   10.599 4.674622 15.04353 
1 1 1  -25    5   21 o  245.684   4.6732  409.620   15.555  404.690   22.145  414.421   21.855  244.221   6.6913  247.148   6.5256 -2.927292 9.346486 
1 1 1  -25    5   22 o  336.295   5.1787  767.565   23.598  769.518   33.618  765.667   33.134  336.714   7.3676  335.877   7.2796 0.8368225 10.35735 
1 1 1  -25    5   23 o  615.843   7.5677  2577.33   63.133  2499.80   87.906  2659.91   90.728  606.287   10.699  625.400   10.705 -19.11310 15.13538 
1 1 1  -25    5   24 o  618.771   10.816  2602.77   90.478  2449.20  122.901  2784.49  133.690  598.977   15.141  638.565   15.449 -39.58777 21.63191 
1 1 1  -25    5   25 o  542.915   8.4346  2009.80   58.587  1997.15  100.983  2016.22   71.930  541.198   13.769  544.633   9.7459 -3.434570 16.86928 
1 1 1  -25    5   26 o  252.610   6.4949  432.176   22.189  456.383   32.662  411.427   30.239  259.148   9.3006  246.071   9.0683 13.07646 12.98979 
1 1 1  -25    5   27 f  179.092   5.6656  223.915   12.904  199.290   21.833  237.136   15.997  171.236   9.4087  186.948   6.3145 -15.71138 11.33127 
1 1 1  -25    5   28 o  154.249   4.6895  161.507   9.7861  160.709   14.237  162.222   13.474  153.880   6.8275  154.617   6.4305 -0.7371521 9.379000 
1 1 1  -25    5   29 f  138.017   4.8309  129.056   9.0190  132.968   13.230  125.660   12.327  139.962   6.9755  136.071   6.6852 3.890869 9.661785 
1 1 1  -25    5   30 o  344.815   5.2955  806.822   24.735  824.673   35.582  790.129   34.409  348.499   7.5344  341.131   7.4434 7.368439 10.59107 
1 1 1  -25    5   31 o  395.846   5.6761  1064.27   30.444  1068.54   43.442  1060.16   42.677  396.618   8.0826  395.074   7.9714 1.543549 11.35221 
1 1 1  -25    5   32 o  409.421   5.7921  1138.79   32.133  1138.70   45.755  1138.87   45.136  409.398   8.2474  409.443   8.1347 -0.4489136E-01 11.58416 
1 1 1  -25    5   33 o  375.415   5.5439  957.283   28.199  959.329   40.286  955.317   39.485  375.800   7.9107  375.030   7.7693 0.7698669 11.08783 
1 1 1  -25    5   34 o  542.314   6.9360  2000.58   50.969  2014.17   72.630  1987.39   71.545  544.120   9.8500  540.508   9.7677 3.611694 13.87194 
1 1 1  -25    5   35 f  436.424   7.4101  1291.22   41.018  1311.96   72.312  1281.38   49.806  438.641   12.165  434.206   8.4645 4.434662 14.82024 
1 1 1  -25    5   36 o  237.858   4.8336  383.878   15.564  389.536   22.598  378.771   21.467  239.515   6.9624  236.201   6.7068 3.314774 9.667244 
1 1 1  -25    5   37 o  378.901   5.5844  975.560   28.672  971.311   40.735  979.731   40.364  378.076   7.9507  379.726   7.8441 -1.649841 11.16887 
1 1 1  -25    5   38 o  391.898   5.7001  1043.90   30.268  1036.82   43.054  1050.81   42.561  390.575   8.1345  393.222   7.9870 -2.647156 11.40012 
1 1 1  -25    5   39 o   80.312   6.5000   44.107   7.0283   41.472   10.356   46.359   9.5699   78.054   9.7903   82.570   8.5526 -4.515915 12.99993 
1 1 1  -25    5   40 o  267.535   4.9482  485.883   17.932  495.048   25.814  477.336   24.928  269.966   7.0561  265.103   6.9389 4.862762 9.896317 
1 1 1  -25    5   41 o  315.050   6.4958  673.170   25.953  669.015   31.519  681.919   45.735  313.783   7.4124  316.318   10.670 -2.534698 12.99164 
1 1 1  -25    5   42 o  162.134   7.0287  178.583   15.443  178.583   15.443   0.0000   0.0000  162.134   7.0287  ?   ?       ?      ? 
1 1 1  -25    5   43 o  110.492   6.3004   83.586   9.2511   85.825   12.053   80.377   14.432  112.353   7.9165  108.630   9.8036 3.723267 12.60085 
1 1 1  -25    5   44 o  228.298   4.8996  354.126   15.157  350.462   21.467  357.769   21.404  227.116   6.9748  229.480   6.8830 -2.363739 9.799150 
1 1 1  -25    5   45 o  291.432   5.0969  577.215   20.125  577.625   28.778  576.823   28.153  291.524   7.2845  291.340   7.1309 0.1837158 10.19387 
1 1 1  -25    5   46 o   74.110   7.0738   37.338   7.0853   38.759   10.480   36.142   9.6162   75.394   10.257   72.826   9.7438 2.567436 14.14765 
1 1 1  -25    5   47 o  281.740   5.0745  539.644   19.371  529.500   27.443  549.717   27.347  279.091   7.2560  284.389   7.0959 -5.298401 10.14898 
1 1 1  -25    5   48 o  133.246   5.2757  120.809   9.5108  119.253   13.799  122.217   13.127  132.414   7.6900  134.079   7.2247 -1.665161 10.55144 
1 1 1  -25    5   49 o  302.898   5.2048  623.398   21.354  639.293   30.791  608.669   29.640  306.608   7.4106  299.188   7.3105 7.419037 10.40960 
1 1 1  -25    5   50 o  329.041   6.6020  726.508   27.399  769.270   49.289  707.386   32.960  335.599   10.838  322.483   7.5423 13.11673 13.20400 
1 1 1  -25    5   51 o  221.346   6.8471  333.068   20.538   0.0000   0.0000  333.068   20.538  ?   ?   221.346   6.8471      ?      ? 
1 1 1  -25    5   52 o  235.973   6.1757  380.917   18.409  375.146   32.445  383.656   22.356  234.409   10.214  237.537   6.9450 -3.127518 12.35139 
1 1 1  -25    5   53 o  206.024   4.9900  289.070   13.910  272.293   19.763  305.541   19.581  200.067   7.2893  211.982   6.8165 -11.91560 9.979939 
1 1 1  -25    5   54 o  263.580   7.3376  472.707   26.209  472.707   26.209   0.0000   0.0000  263.580   7.3376  ?   ?       ?      ? 
1 1 1  -25    5   55 o  331.610   5.4612  748.260   24.531  761.598   35.304  735.808   34.112  334.452   7.7895  328.767   7.6566 5.684601 10.92242 
1 1 1  -25    5   56 o  232.475   5.1358  367.764   16.176  368.754   23.137  366.818   22.624  232.771   7.3350  232.180   7.1906 0.5917206 10.27163 
1 1 1  -25    5   57 f  133.595   6.9116  113.424   11.701   99.801   13.917  146.286   21.615  120.994   8.4878  146.196   10.910 -25.20208 13.82316 
1 1 1  -25    5   58 o  212.293   6.2965  306.416   16.930  304.461   20.538  310.559   29.902  211.500   7.1660  213.086   10.355 -1.586472 12.59310 
1 1 1  -25    5   59 o  128.381   5.5472  112.625   9.6208  103.925   13.737  121.000   13.478  123.467   8.2105  133.295   7.4616 -9.828445 11.09448 
1 1 1  -25    5   60 o  311.294   5.3571  660.261   22.593  656.921   32.279  663.470   31.634  310.501   7.6713  312.088   7.4798 -1.586761 10.71430 
1 1 1  -25    5   61 o  248.562   5.1144  420.488   17.217  429.959   24.875  411.779   23.854  251.233   7.3064  245.891   7.1586 5.342545 10.22884 
1 1 1  -25    5   62 o  154.586   5.3154  162.936   11.131  158.417   15.776  167.417   15.707  152.436   7.6370  156.736   7.3952 -4.299942 10.63077 
1 1 1  -25    5   63 o  180.461   6.0555  223.864   14.347  228.303   18.267  216.717   23.178  183.003   7.3661  177.919   9.6134 5.083267 12.11106 
1 1 1  -25    5   64 o  133.863   5.5488  122.584   10.042  114.461   14.329  130.424   14.077  129.454   8.1681  138.272   7.5126 -8.817520 11.09755 
1 1 1  -25    5   65 o  196.627   7.1398  263.690   19.024   0.0000   0.0000  263.690   19.024  ?   ?   196.627   7.1398      ?      ? 
1 1 1  -25    5   66 o   97.633   7.5902   66.078   9.5228   64.163   16.148   67.100   11.791   96.285   12.376   98.980   8.7908 -2.695007 15.18048 
1 1 1  -25    5   67 o  101.210   7.4644   71.342   9.6357   68.240   16.518   72.943   11.863   99.226   12.284  103.195   8.4834 -3.968224 14.92880 
1 1 1  -25    5   68 o  169.680   5.1725  196.706   11.886  199.318   17.170  194.303   16.469  170.739   7.4210  168.621   7.2074 2.118622 10.34494 
1 1 1  -25    5   69 o  133.145   7.2791  126.453   11.820  112.673   21.500  132.423   14.151  127.192   12.474  139.098   7.5070 -11.90659 14.55828 
1 1 1  -25    5   70 o  151.262   5.4062  157.372   11.040  146.122   15.902  167.838   15.338  145.933   8.0413  156.590   7.2281 -10.65662 10.81238 
1 1 1  -25    5   71 o  166.822   5.3082  190.911   11.988  188.846   17.295  192.822   16.631  165.903   7.6928  167.740   7.3165 -1.837189 10.61650 
1 1 1  -25    5   72 o  152.577   6.7954  155.583   12.996  147.123   15.471  175.860   23.952  146.322   7.8023  158.831   11.128 -12.50974 13.59075 
1 1 1  -25    5   73 o  146.856   5.3394  148.141   10.622  152.395   15.278  144.161   14.778  148.889   7.5724  144.823   7.5298 4.066376 10.67888 
1 1 1  -25    5   74 o  150.411   5.3640  155.471   10.916  168.395   15.771  143.585   15.124  156.447   7.4389  144.375   7.7301 12.07170 10.72807 
1 1 1  -25    5   75 o   87.976   6.6237   53.855   7.8952   52.789   11.184   54.914   11.148   87.081   9.4771   88.871   9.2563 -1.789833 13.24747 
1 1 1  -25    5   76 o   37.419   9.3959   7.5275   6.4870   14.843   9.2848   0.5514   9.0671   45.134   13.853   29.704   12.697 15.43020 18.79173 
1 1 1  -25    5   77 o  103.126   7.3434   76.515   9.6807   69.498   16.223   80.395   12.064   98.660   12.134  107.592   8.2743 -8.931404 14.68674 
1 1 1  -25    5   78 o   77.275   14.091   44.701   14.212   44.701   14.212   0.0000   0.0000   77.275   14.091  ?   ?       ?      ? 
1 1 1  -25    5   79 o  105.772   8.4129   78.135   12.059   78.135   12.059   0.0000   0.0000  105.772   8.4129  ?   ?       ?      ? 
1 1 1  -25    5   80 o   83.430   9.4448   51.799   10.218   64.939   14.794   39.814   14.129   94.975   11.495   71.885   14.990 23.08977 18.88963 
1 1 1  -25    5   81 o   67.307   10.483   35.066   9.2972   38.146   13.571   32.342   12.763   70.196   14.735   64.417   14.915 5.779106 20.96630 
1 1 1  -25    5   82 o   92.439   8.3984   62.591   10.487   59.002   15.101   65.933   14.573   89.544   12.445   95.333   11.281 -5.789368 16.79680 
1 1 1  -25    5   83 o   78.079   12.779   45.321   13.521   0.0000   0.0000   45.321   13.521  ?   ?    78.079   12.779      ?      ? 
1 1 1  -25    6    1 o  343.438   6.1557  800.239   27.632  796.908   34.725  805.989   45.623  342.592   7.4796  344.285   9.7788 -1.693146 12.31134 
1 1 1  -25    6    2 o  371.569   6.0233  946.292   26.974  956.435   31.694  919.637   51.377  375.443   6.2294  367.697   10.311 7.746063 12.04664 
1 1 1  -25    6    3 o  234.378   5.0448  386.319   14.473  406.330   17.368  340.858   26.178  244.765   5.2362  223.990   8.6244 20.77441 10.08955 
1 1 1  -25    6    4 o  190.153   4.7897  251.874   11.245  261.937   13.529  229.381   20.226  196.527   5.0799  183.778   8.1215 12.74899 9.579329 
1 1 1  -25    6    5 o  547.385   7.9003  2088.00   52.157  2150.46   61.635  1930.45   97.889  562.719   8.0827  532.051   13.577 30.66864 15.80067 
1 1 1  -25    6    6 o  482.996   7.3189  1583.60   47.904  1583.60   47.904   0.0000   0.0000  482.996   7.3189  ?   ?       ?      ? 
1 1 1  -25    6    7 o  293.044   5.6546  582.500   22.455  582.500   22.455   0.0000   0.0000  293.044   5.6546  ?   ?       ?      ? 
1 1 1  -25    6    8 f  552.203   7.9175  2092.33   52.222  2112.27   61.030  2037.82  100.910  557.720   8.0751  546.685   13.621 11.03467 15.83491 
1 1 1  -25    6    9 o  527.271   7.6568  1907.72   48.292  1926.82   56.488  1855.86   93.085  532.715   7.8250  521.827   13.163 10.88800 15.31362 
1 1 1  -25    6   10 o  302.907   5.4956  627.662   20.218  633.701   23.859  612.282   38.076  305.649   5.7603  300.164   9.3608 5.484924 10.99112 
1 1 1  -25    6   11 o  514.466   7.4994  1793.54   45.844  1786.45   53.238  1813.87   90.169  512.970   7.6585  515.961   12.896 -2.990601 14.99870 
1 1 1  -25    6   12 o  629.254   8.7662  2669.48   64.950  2642.07   74.956  2752.06  130.115  623.625   8.8695  634.883   15.123 -11.25793 17.53250 
1 1 1  -25    6   13 o  623.904   8.7273  2651.85   64.565  2652.84   74.983  2649.02  126.974  624.898   8.8546  622.910   15.042 1.988342 17.45469 
1 1 1  -25    6   14 o  510.536   7.4519  1744.69   44.903  1716.51   51.807  1829.79   90.024  502.834   7.6030  518.238   12.819 -15.40326 14.90385 
1 1 1  -25    6   15 o  310.150   5.5567  646.786   20.872  639.141   24.457  667.283   40.046  306.951   5.8796  313.349   9.4307 -6.398254 11.11336 
1 1 1  -25    6   16 o  544.757   8.3637  2022.30   58.796  2026.95   72.841  2013.60   99.602  546.052   9.8437  543.462   13.524 2.590515 16.72746 
1 1 1  -25    6   17 o  563.930   8.5870  2167.73   62.476  2172.58   77.382  2158.63  105.886  565.273   10.102  562.587   13.889 2.685120 17.17399 
1 1 1  -25    6   18 o  299.011   7.0863  600.545   28.386  654.992   44.278  562.554   36.986  310.324   10.529  287.697   9.4869 22.62756 14.17265 
1 1 1  -25    6   19 o  464.615   7.4635  1451.01   44.586  1415.00   54.657  1522.64   77.084  456.366   8.8379  472.863   12.030 -16.49628 14.92708 
1 1 1  -25    6   20 o  559.417   9.8541  2133.50   74.669  2179.38  107.578  2090.85  103.724  565.186   14.046  553.648   13.825 11.53815 19.70819 
1 1 1  -25    6   21 o  184.399   5.3032  229.554   12.973  224.688   16.636  237.104   20.721  181.954   6.7470  186.843   8.1839 -4.888885 10.60649 
1 1 1  -25    6   22 o  234.430   6.2985  373.671   19.982  368.660   28.920  378.249   27.640  232.906   9.1630  235.955   8.6443 -3.048477 12.59704 
1 1 1  -25    6   23 o  373.264   5.4639  945.973   27.630  950.981   39.581  941.213   38.588  374.220   7.8051  372.309   7.6484 1.910522 10.92782 
1 1 1  -25    6   24 o  348.691   6.5814  829.674   29.253  836.015   35.823  816.981   50.680  350.892   7.5337  346.490   10.794 4.401123 13.16270 
1 1 1  -25    6   25 o  251.235   5.9172  425.439   18.850  419.398   22.844  438.328   33.369  248.576   6.7814  253.894   9.6987 -5.317581 11.83439 
1 1 1  -25    6   26 o  261.419   4.7797  463.996   16.927  457.789   24.164  469.977   23.718  259.694   6.8662  263.143   6.6513 -3.449219 9.559494 
1 1 1  -25    6   27 o  297.101   4.9825  599.418   20.054  586.216   28.469  612.421   28.254  293.844   7.1494  300.357   6.9416 -6.513245 9.964926 
1 1 1  -25    6   28 f  337.077   5.2347  771.650   23.907  764.948   34.038  778.175   33.586  335.624   7.4840  338.529   7.3212 -2.905365 10.46949 
1 1 1  -25    6   29 o  293.643   4.9760  584.701   19.787  604.359   28.657  566.793   27.353  298.349   7.0881  288.937   6.9858 9.412598 9.952008 
1 1 1  -25    6   30 o  225.063   4.6893  343.410   14.290  353.928   20.739  333.902   19.717  228.336   6.7025  221.790   6.5602 6.545135 9.378664 
1 1 1  -25    6   31 o  164.281   4.6739  182.957   10.394  188.342   15.128  178.141   14.305  166.564   6.7023  161.999   6.5162 4.564880 9.347803 
1 1 1  -25    6   32 o  291.484   4.9819  576.896   19.672  578.411   28.198  575.460   27.458  291.849   7.1299  291.119   6.9600 0.7303162 9.963785 
1 1 1  -25    6   33 o  388.308   5.6338  1024.51   29.641  1028.09   42.303  1021.05   41.546  388.966   8.0255  387.650   7.9087 1.316193 11.26750 
1 1 1  -25    6   34 o  215.253   4.7525  315.196   13.834  294.360   19.691  335.504   19.439  208.198   6.9791  222.309   6.4527 -14.11067 9.505013 
1 1 1  -25    6   35 o  113.315   6.6046   84.592   9.2159   93.994   17.491   80.979   10.843  117.446   10.990  109.184   7.3285 8.261978 13.20922 
1 1 1  -25    6   36 o  219.822   4.7537  328.564   14.141  311.973   20.141  344.692   19.858  214.326   6.9347  225.317   6.5037 -10.99065 9.507307 
1 1 1  -25    6   37 o  237.500   4.7975  382.267   15.424  401.298   22.453  365.262   21.223  243.083   6.8161  231.917   6.7531 11.16615 9.594967 
1 1 1  -25    6   38 o  364.941   5.5085  905.275   27.240  897.401   38.646  913.050   38.401  363.355   7.8486  366.527   7.7312 -3.171661 11.01696 
1 1 1  -25    6   39 o  240.902   5.7244  392.369   17.982  386.596   22.469  402.653   29.989  238.561   6.9503  243.244   9.0978 -4.682983 11.44886 
1 1 1  -25    6   40 o  332.904   6.3554  751.119   27.376  743.906   33.919  764.598   46.365  330.832   7.5658  334.975   10.214 -4.142426 12.71089 
1 1 1  -25    6   41 o  362.915   7.8626  895.496   38.668  895.496   38.668   0.0000   0.0000  362.915   7.8626  ?   ?       ?      ? 
1 1 1  -25    6   42 o  186.076   4.8349  234.996   12.185  242.741   17.589  227.849   16.897  189.019   6.8666  183.133   6.8085 5.885605 9.669832 
1 1 1  -25    6   43 o   96.290   5.9439   62.863   7.7402   66.608   11.399   59.659   10.544   98.937   8.5018   93.643   8.3090 5.293968 11.88778 
1 1 1  -25    6   44 o  265.251   5.0093  478.056   17.999  482.689   25.870  473.708   25.058  266.487   7.1636  264.015   7.0038 2.472412 10.01855 
1 1 1  -25    6   45 o  520.395   6.8125  1845.53   48.038  1855.39   68.458  1835.96   67.426  521.749   9.6824  519.041   9.5861 2.708069 13.62505 
1 1 1  -25    6   46 o  446.699   6.1953  1358.78   37.500  1356.79   53.300  1360.73   52.771  446.362   8.8116  447.036   8.7110 -0.6740723 12.39055 
1 1 1  -25    6   47 o  232.778   4.9591  367.800   15.631  383.091   22.653  353.902   21.596  237.386   7.0417  228.169   6.9846 9.216507 9.918152 
1 1 1  -25    6   48 o  265.624   6.2229  481.366   20.967  478.476   36.753  482.761   25.528  264.782   10.243  266.467   7.0697 -1.684570 12.44575 
1 1 1  -25    6   49 o  327.884   6.5797  730.407   27.368  740.079   48.191  725.802   33.251  329.131   10.805  326.636   7.5121 2.495483 13.15948 
1 1 1  -25    6   50 o  295.152   5.1989  592.807   20.786  581.515   29.604  603.787   29.193  292.360   7.4723  297.945   7.2303 -5.584747 10.39770 
1 1 1  -25    6   51 o  348.771   6.7634  817.254   29.769  864.528   53.477  796.028   35.834  355.554   11.099  341.988   7.7322 13.56595 13.52674 
1 1 1  -25    6   52 o  207.905   5.0197  294.348   14.122  286.555   20.356  301.581   19.609  205.223   7.3194  210.587   6.8715 -5.363754 10.03948 
1 1 1  -25    6   53 o  149.134   5.2584  150.713   10.604  163.675   15.582  139.533   14.472  155.082   7.4144  143.185   7.4585 11.89720 10.51678 
1 1 1  -25    6   54 o  263.598   5.1723  472.096   18.457  489.675   26.857  456.365   25.407  268.228   7.3889  258.968   7.2397 9.260468 10.34451 
1 1 1  -25    6   55 o  217.632   5.0671  322.571   14.926  316.243   21.513  328.445   20.727  215.545   7.3650  219.718   6.9611 -4.172501 10.13415 
1 1 1  -25    6   56 o  191.266   5.1024  249.427   13.202  236.433   18.868  261.890   18.479  186.346   7.4718  196.186   6.9505 -9.839951 10.20477 
1 1 1  -25    6   57 o  268.144   6.4442  488.448   21.976  483.950   26.746  497.797   38.557  266.593   7.4033  269.694   10.550 -3.101440 12.88833 
1 1 1  -25    6   58 o  357.558   5.6212  871.459   27.235  867.605   38.713  875.235   38.321  356.759   8.0076  358.356   7.8912 -1.596375 11.24245 
1 1 1  -25    6   59 f  132.994   5.5964  121.193   10.019  105.856   14.233  136.261   14.107  124.555   8.4322  141.433   7.3604 -16.87796 11.19279 
1 1 1  -25    6   60 o  274.438   5.2322  513.431   19.450  497.727   27.588  528.949   27.425  270.235   7.5335  278.640   7.2630 -8.404663 10.46449 
1 1 1  -25    6   61 o  416.621   7.3445  1195.65   39.618  1209.63   49.412  1170.47   66.293  420.790   8.6654  412.451   11.861 8.339386 14.68904 
1 1 1  -25    6   62 o  255.838   6.1285  444.966   20.445  438.609   25.557  456.265   34.075  253.608   7.4364  258.069   9.7435 -4.460617 12.25709 
1 1 1  -25    6   63 o  123.065   5.7747  103.636   9.6088  100.615   13.941  106.370   13.262  121.314   8.4801  124.816   7.8408 -3.501823 11.54946 
1 1 1  -25    6   64 o  246.632   5.1541  415.374   17.214  403.173   24.542  427.191   24.152  243.025   7.4520  250.240   7.1221 -7.214508 10.30812 
1 1 1  -25    6   65 o  224.360   5.1325  343.475   15.588  348.183   22.635  339.227   21.500  225.789   7.3975  222.932   7.1168 2.857010 10.26510 
1 1 1  -25    6   66 o  125.175   6.7729  108.257   10.833  105.994   18.627  109.413   13.316  123.876   11.096  126.474   7.7693 -2.597717 13.54579 
1 1 1  -25    6   67 o   46.570   10.298   15.607   8.3189  -4.2013   15.483   23.646   9.8634   35.976   15.956   57.165   13.023 -21.18923 20.59593 
1 1 1  -25    6   68 o  126.195   7.6358  118.489   11.533   91.115   20.636  130.922   13.907  114.090   13.347  138.299   7.4206 -24.20941 15.27153 
1 1 1  -25    6   69 o  209.982   5.1466  302.185   14.633  293.767   20.914  310.258   20.481  207.061   7.4536  212.904   7.0988 -5.842590 10.29313 
1 1 1  -25    6   70 o  227.035   5.1124  353.365   15.725  346.965   22.355  359.632   22.123  224.962   7.3330  229.107   7.1257 -4.144287 10.22489 
1 1 1  -25    6   71 o  187.113   6.4694  234.458   15.341  221.606   18.435  263.400   27.666  179.615   7.5740  194.610   10.490 -14.99541 12.93885 
1 1 1  -25    6   72 o  135.564   5.5160  126.127   10.102  140.849   14.691  112.924   13.913  143.106   7.5755  128.022   8.0197 15.08374 11.03199 
1 1 1  -25    6   73 o  114.699   5.7851   90.821   8.9834   91.502   13.009   90.201   12.420  115.067   8.3430  114.332   8.0163 0.7348862 11.57012 
1 1 1  -25    6   74 o   90.363   6.5533   57.010   7.9764   49.911   11.268   64.141   11.293   84.556   9.8334   96.171   8.6653 -11.61531 13.10661 
1 1 1  -25    6   75 o   98.861   6.2628   68.083   8.3788   65.181   11.972   70.868   11.731   96.711   9.1350  101.010   8.5698 -4.299454 12.52557 
1 1 1  -25    6   76 o   87.699   6.6769   53.810   7.9271   57.201   11.355   50.586   11.072   90.445   9.2643   84.952   9.6174 5.493073 13.35370 
1 1 1  -25    6   77 o  110.139   6.7787   84.147   9.8004   80.893   12.313   89.774   16.190  107.719   8.4348  112.559   10.614 -4.840111 13.55737 
1 1 1  -25    6   78 o   83.914   7.6083   47.776   8.4354   39.401   10.601   62.232   13.928   74.461   10.506   93.367   11.008 -18.90639 15.21654 
1 1 1  -25    6   79 o   78.273   9.7267   46.896   9.8203   34.208   14.084   58.900   13.700   65.984   15.932   90.562   11.163 -24.57839 19.45337 
1 1 1  -25    6   80 o   99.209   8.2295   71.819   10.981   65.912   16.033   77.038   15.071   94.857   12.473  103.561   10.739 -8.704063 16.45899 
1 1 1  -25    6   81 o  117.524   7.7746   99.075   12.229  122.122   18.124   79.811   16.570  130.457   10.252  104.592   11.691 25.86552 15.54912 
1 1 1  -25    6   82 o   82.211   12.382   50.009   13.794   0.0000   0.0000   50.009   13.794  ?   ?    82.211   12.382      ?      ? 
1 1 1  -25    6   83 o   77.912   12.680   45.343   13.387   0.0000   0.0000   45.343   13.387  ?   ?    77.912   12.680      ?      ? 
1 1 1  -25    7    1 o  147.171   4.9537  151.528   9.5454  170.094   12.514  125.690   14.762  158.328   5.8323  136.015   8.0089 22.31287 9.907452 
1 1 1  -25    7    2 o  295.026   10.126  592.271   40.484  592.271   40.484   0.0000   0.0000  295.026   10.126  ?   ?       ?      ? 
1 1 1  -25    7    3 o  408.906   8.0130  1135.91   44.402  1135.91   44.402   0.0000   0.0000  408.906   8.0130  ?   ?       ?      ? 
1 1 1  -25    7    4 o  216.509   5.2210  325.619   14.796  351.395   19.092  286.858   23.412  227.554   6.1912  205.464   8.4085 22.09026 10.44192 
1 1 1  -25    7    5 o  241.178   5.2771  396.177   16.681  399.703   21.115  390.322   27.207  242.680   6.4206  239.676   8.3767 3.003754 10.55428 
1 1 1  -25    7    6 o  278.805   5.2365  523.145   17.914  516.902   21.168  538.896   33.626  276.027   5.6592  281.583   8.8123 -5.556122 10.47294 
1 1 1  -25    7    7 o  462.481   7.2035  1452.21   45.146  1452.21   45.146   0.0000   0.0000  462.481   7.2035  ?   ?       ?      ? 
1 1 1  -25    7    8 o  443.815   6.9711  1337.16   41.926  1337.16   41.926   0.0000   0.0000  443.815   6.9711  ?   ?       ?      ? 
1 1 1  -25    7    9 o  449.036   6.7771  1345.75   36.095  1319.56   41.720  1423.71   71.973  440.885   6.9830  457.187   11.617 -16.30206 13.55416 
1 1 1  -25    7   10 o  521.509   7.5413  1811.01   46.283  1771.85   53.254  1931.90   93.566  510.785   7.6936  532.232   12.973 -21.44711 15.08262 
1 1 1  -25    7   11 o  467.979   7.0040  1477.62   39.031  1464.72   45.326  1514.61   76.769  464.478   7.2012  471.479   12.015 -7.001068 14.00809 
1 1 1  -25    7   12 o  355.306   5.9061  844.752   25.204  830.182   29.350  885.676   49.188  349.775   6.1921  360.838   10.059 -11.06363 11.81220 
1 1 1  -25    7   13 o  355.269   5.9306  848.218   25.372  837.454   29.622  877.865   49.160  351.301   6.2223  359.238   10.098 -7.937378 11.86127 
1 1 1  -25    7   14 o  466.451   6.9973  1464.38   38.870  1447.74   45.114  1512.31   76.579  461.777   7.2093  471.125   11.995 -9.348114 13.99457 
1 1 1  -25    7   15 o  509.738   7.4850  1771.92   45.641  1776.16   53.285  1760.25   88.436  511.407   7.6888  508.069   12.845 3.337433 14.97007 
1 1 1  -25    7   16 o  458.875   6.9362  1418.67   38.016  1403.91   44.204  1460.58   74.502  454.735   7.1733  463.015   11.874 -8.280273 13.87245 
1 1 1  -25    7   17 o  440.754   8.3088  1322.24   49.590  1352.08   71.804  1295.03   68.571  445.474   11.894  436.033   11.605 9.441345 16.61766 
1 1 1  -25    7   18 o  455.850   8.7514  1418.53   53.943  1380.66   78.283  1452.77   74.437  449.943   12.839  461.756   11.896 -11.81290 17.50279 
1 1 1  -25    7   19 o  279.441   5.3761  526.897   18.431  522.336   21.793  538.353   34.537  277.465   5.7960  281.417   9.0564 -3.951324 10.75226 
1 1 1  -25    7   20 o  249.810   5.1493  416.926   15.854  407.702   18.746  440.095   29.709  245.142   5.6429  254.478   8.6151 -9.336411 10.29862 
1 1 1  -25    7   21 o  221.145   5.0168  326.139   13.793  317.582   16.399  346.836   25.504  216.360   5.5930  225.931   8.3301 -9.570969 10.03357 
1 1 1  -25    7   22 o  408.225   6.4840  1126.00   31.811  1117.87   37.147  1148.35   61.602  405.801   6.7550  410.649   11.070 -4.848236 12.96805 
1 1 1  -25    7   23 o  294.107   4.9309  587.103   19.642  592.236   28.303  582.334   27.281  295.338   7.0717  292.876   6.8737 2.462738 9.861869 
1 1 1  -25    7   24 o  165.039   5.8317  183.001   12.219  179.252   14.802  191.018   21.646  162.496   6.7221  167.583   9.5315 -5.086929 11.66347 
1 1 1  -25    7   25 o  466.065   6.2200  1476.12   39.275  1433.08   54.999  1520.91   56.104  459.127   8.8397  473.003   8.7528 -13.87573 12.43997 
1 1 1  -25    7   26 o  406.612   5.7286  1123.34   31.559  1093.12   44.403  1154.19   44.864  401.077   8.1696  412.147   8.0326 -11.06998 11.45713 
1 1 1  -25    7   27 o  185.064   4.5863  232.149   11.485  238.533   16.783  226.526   15.751  187.447   6.6070  182.681   6.3626 4.766144 9.172505 
1 1 1  -25    7   28 o  357.503   5.3804  868.055   26.058  875.661   37.387  860.869   36.338  359.016   7.6847  355.989   7.5325 3.026703 10.76073 
1 1 1  -25    7   29 o  379.519   5.5509  978.672   28.543  980.069   40.796  977.332   39.948  379.774   7.9270  379.264   7.7726 0.5096436 11.10189 
1 1 1  -25    7   30 o  256.199   4.8007  445.691   16.655  446.065   24.013  445.344   23.121  256.292   6.9141  256.106   6.6620 0.1865234 9.601346 
1 1 1  -25    7   31 o  290.958   4.9876  574.408   19.652  589.551   28.445  560.580   27.182  294.616   7.1246  287.300   6.9817 7.316223 9.975183 
1 1 1  -25    7   32 o  500.497   6.5649  1704.48   44.523  1702.12   63.310  1706.80   62.625  500.140   9.3411  500.853   9.2269 -0.7128906 13.12982 
1 1 1  -25    7   33 o  266.036   4.8821  480.851   17.591  475.444   25.219  485.975   24.549  264.567   7.0341  267.505   6.7720 -2.938232 9.764184 
1 1 1  -25    7   34 o  193.023   5.9549  260.135   14.312  235.753   25.321  271.583   17.350  186.050   10.043  199.995   6.4016 -13.94438 11.90983 
1 1 1  -25    7   35 o  307.843   7.1505  645.015   29.760  653.436   43.722  637.745   40.623  309.663   10.419  306.023   9.7958 3.639557 14.30091 
1 1 1  -25    7   36 o  303.994   6.0375  617.154   23.760  591.518   29.251  666.882   40.739  295.041   7.3160  312.947   9.6063 -17.90625 12.07498 
1 1 1  -25    7   37 o  166.292   5.6264  189.930   12.351  197.134   15.944  179.120   19.531  170.346   6.9070  162.237   8.8836 8.109207 11.25277 
1 1 1  -25    7   38 o  325.305   5.2605  719.468   23.184  704.816   32.921  733.882   32.653  322.004   7.5445  328.606   7.3328 -6.601685 10.52091 
1 1 1  -25    7   39 o  396.634   5.7618  1069.77   30.959  1031.83   43.427  1108.99   44.148  389.469   8.2281  403.799   8.0679 -14.32962 11.52361 
1 1 1  -25    7   40 o  192.557   6.1252  252.310   14.968  252.222   18.216  252.494   26.261  192.656   6.9774  192.458   10.069 0.1983795 12.25035 
1 1 1  -25    7   41 o  236.821   6.1551  378.282   18.413  372.262   22.233  391.427   32.856  234.042   7.0100  239.600   10.119 -5.558487 12.31017 
1 1 1  -25    7   42 o  317.677   5.2401  685.882   22.542  649.844   31.551  723.459   32.217  309.138   7.5314  326.215   7.2879 -17.07715 10.48028 
1 1 1  -25    7   43 o  341.416   5.3907  792.820   24.937  790.396   35.538  795.172   35.001  340.890   7.6931  341.942   7.5534 -1.051880 10.78132 
1 1 1  -25    7   44 o  297.981   5.1514  603.668   20.795  607.247   29.818  600.279   29.016  298.829   7.3634  297.132   7.2061 1.696808 10.30280 
1 1 1  -25    7   45 o  188.005   6.0106  242.256   14.273  236.265   25.100  245.119   17.351  186.104   9.9524  189.905   6.7423 -3.801498 12.02118 
1 1 1  -25    7   46 o   73.864   9.3843   40.139   8.2251   33.430   14.973   43.039   9.8433   68.262   16.392   79.466   9.1406 -11.20322 18.76868 
1 1 1  -25    7   47 o  274.150   5.0790  511.139   18.861  511.614   27.088  510.692   26.276  274.259   7.2885  274.042   7.0755 0.2171021 10.15802 
1 1 1  -25    7   48 o  154.214   5.0906  161.504   10.623  166.330   15.524  157.254   14.568  156.367   7.3264  152.061   7.0697 4.305450 10.18118 
1 1 1  -25    7   49 o  125.167   5.4610  105.883   9.2294  118.172   13.708   95.694   12.482  131.766   7.6772  118.567   7.7687 13.19884 10.92206 
1 1 1  -25    7   50 o  143.903   6.5121  143.549   11.665  135.310   20.867  147.294   14.069  140.654   10.948  147.153   7.0554 -6.498520 13.02428 
1 1 1  -25    7   51 o  197.381   6.1544  260.067   15.296  280.506   27.715  251.114   18.343  202.635   10.093  192.128   7.0454 10.50763 12.30878 
1 1 1  -25    7   52 o  317.341   5.4003  684.253   23.195  713.485   33.848  658.376   31.847  323.702   7.7163  310.980   7.5571 12.72122 10.80050 
1 1 1  -25    7   53 o  310.690   5.3397  657.409   22.474  648.158   32.049  666.360   31.524  308.516   7.6658  312.865   7.4354 -4.348297 10.67939 
1 1 1  -25    7   54 o  262.943   5.1330  470.381   18.280  477.948   26.373  463.384   25.361  264.963   7.3449  260.923   7.1725 4.039459 10.26609 
1 1 1  -25    7   55 o  311.097   5.3448  658.796   22.521  670.386   32.472  648.055   31.262  313.715   7.6383  308.479   7.4784 5.235413 10.68969 
1 1 1  -25    7   56 o  194.272   6.2526  250.199   15.506  236.600   18.754  279.581   27.566  186.380   7.4254  202.164   10.062 -15.78387 12.50526 
1 1 1  -25    7   57 o   78.463   7.4588   42.338   7.8961   39.847   11.494   44.565   10.866   76.220   11.128   80.706   9.9355 -4.485725 14.91768 
1 1 1  -25    7   58 o  108.328   6.0001   80.125   8.7940   79.805   12.789   80.412   12.112  108.099   8.7303  108.557   8.2332 -0.4578781 12.00019 
1 1 1  -25    7   59 o   94.110   7.7868   62.607   9.5422   68.894   12.324   53.197   15.078  100.384   9.0596   87.836   12.667 12.54779 15.57356 
1 1 1  -25    7   60 o  113.379   6.9040   87.599   10.390   85.796   13.345   90.373   16.556  112.024   8.7909  114.734   10.648 -2.710571 13.80801 
1 1 1  -25    7   61 o  114.068   5.9509   89.033   9.1804   87.264   13.335   90.627   12.658  112.954   8.7118  115.182   8.1092 -2.227890 11.90188 
1 1 1  -25    7   62 o  120.932   5.8046   99.743   9.4960  103.890   13.937   96.149   12.973  123.255   8.3442  118.609   8.0715 4.645798 11.60924 
1 1 1  -25    7   63 o  170.755   5.2561  199.848   12.118  185.673   17.450  213.048   16.840  164.816   7.8130  176.695   7.0330 -11.87820 10.51217 
1 1 1  -25    7   64 o  135.872   5.6288  127.478   10.248  107.275   14.642  146.880   14.349  125.105   8.6367  146.641   7.2209 -21.53592 11.25764 
1 1 1  -25    7   65 o  198.465   10.396  271.726   27.961  271.726   27.961   0.0000   0.0000  198.465   10.396  ?   ?       ?      ? 
1 1 1  -25    7   66 o   95.456   9.3196   67.428   9.9767   58.503   19.393   70.640   11.634   89.464   16.607  101.448   8.4629 -11.98389 18.63920 
1 1 1  -25    7   67 o   85.726   7.8649   53.943   8.3524   34.757   12.064   71.603   11.575   69.356   13.320  102.097   8.3661 -32.74164 15.72977 
1 1 1  -25    7   68 o  132.070   5.5787  118.692   9.9363  135.598   14.824  104.902   13.389  140.557   7.7830  123.584   7.9947 16.97256 11.15749 
1 1 1  -25    7   69 o  126.896   5.6226  110.853   9.6341  108.924   14.166  112.512   13.141  125.783   8.3107  128.010   7.5754 -2.226585 11.24520 
1 1 1  -25    7   70 o   95.319   7.8738   57.791   9.6395   46.451   11.588   83.272   17.370   81.671   10.470  108.966   11.763 -27.29471 15.74755 
1 1 1  -25    7   71 o  210.003   6.3517  298.477   16.979  285.723   20.538  326.005   30.175  203.800   7.4366  216.205   10.299 -12.40466 12.70332 
1 1 1  -25    7   72 o   89.415   6.6360   55.953   7.9871   50.512   11.556   60.930   11.052   85.064   10.024   93.766   8.6981 -8.701813 13.27204 
1 1 1  -25    7   73 o  125.846   5.5865  109.774   9.5021  102.625   13.596  116.599   13.285  121.720   8.2427  129.973   7.5428 -8.253212 11.17300 
1 1 1  -25    7   74 o   59.231   8.9482   26.041   6.9540   24.716   10.150   27.213   9.5465   57.564   13.282   60.898   11.995 -3.334110 17.89634 
1 1 1  -25    7   75 o   72.558   7.7311   38.261   7.2526   29.888   10.296   46.507   10.218   63.612   12.389   81.503   9.2516 -17.89069 15.46226 
1 1 1  -25    7   76 o  131.234   6.4925  123.879   11.012  132.751   13.977  109.357   17.882  138.357   7.4548  124.111   10.632 14.24570 12.98510 
1 1 1  -25    7   77 o  104.447   7.0911   78.245   9.6812   81.251   12.342   73.436   15.609  107.754   8.4522  101.140   11.388 6.613869 14.18226 
1 1 1  -25    7   78 o  150.678   7.2493  162.117   14.776  155.462   21.202  168.403   20.605  147.396   10.615  153.959   9.8761 -6.562622 14.49854 
1 1 1  -25    7   79 o  150.245   7.2015  160.651   14.616  179.318   21.477  144.550   19.947  158.474   10.001  142.016   10.365 16.45868 14.40310 
1 1 1  -25    7   80 o   49.056   11.270   18.849   8.6006   17.406   12.406   20.184   11.934   47.570   16.137   50.543   15.738 -2.972847 22.54097 
1 1 1  -25    7   81 o  105.031   10.887   80.186   15.496   0.0000   0.0000   80.186   15.496  ?   ?   105.031   10.887      ?      ? 
1 1 1  -25    7   82 o   94.120   11.488   65.165   14.653   0.0000   0.0000   65.165   14.653  ?   ?    94.120   11.488      ?      ? 
1 1 1  -25    8    1 o  215.820   4.5834  304.617   12.327  288.094   14.596  345.711   23.019  206.065   5.2270  225.574   7.5304 -19.50804 9.166724 
1 1 1  -25    8    2 o  186.553   4.6218  241.790   10.798  251.493   13.133  221.541   18.971  192.542   5.0332  180.564   7.7530 11.97824 9.243515 
1 1 1  -25    8    3 o  244.680   8.2502  406.947   27.355   0.0000   0.0000  406.947   27.355  ?   ?   244.680   8.2502      ?      ? 
1 1 1  -25    8    4 o  143.960   4.4548  138.858   8.2457  135.081   10.102  146.399   14.274  141.104   5.2830  146.816   7.1743 -5.712357 8.909565 
1 1 1  -25    8    5 o  210.608   4.7634  302.669   12.521  305.062   15.054  297.298   22.554  212.053   5.2387  209.164   7.9571 2.888214 9.526800 
1 1 1  -25    8    6 o  232.105   5.0301  378.359   14.490  399.409   17.581  333.766   25.588  242.633   5.3469  221.578   8.5216 21.05504 10.06016 
1 1 1  -25    8    7 o   80.601   8.9606   44.179   9.7873   44.179   9.7873   0.0000   0.0000   80.601   8.9606  ?   ?       ?      ? 
1 1 1  -25    8    8 o  186.620   5.3679  236.284   13.575  236.284   13.575   0.0000   0.0000  186.620   5.3679  ?   ?       ?      ? 
1 1 1  -25    8    9 f  200.746   4.9871  282.928   12.506  299.610   15.264  248.865   21.812  210.146   5.3599  191.345   8.4117 18.80112 9.974280 
1 1 1  -25    8   10 o  427.618   6.7750  1301.41   35.495  1391.54   42.857  1104.57   63.334  452.688   6.9863  402.547   11.610 50.14102 13.55004 
1 1 1  -25    8   11 o  425.192   6.5735  1213.24   33.426  1195.17   38.853  1264.74   65.573  419.553   6.8336  430.831   11.231 -11.27863 13.14698 
1 1 1  -25    8   12 o  329.130   6.0874  732.295   26.120  721.591   32.631  751.385   43.580  325.944   7.3877  332.316   9.6773 -6.372803 12.17489 
1 1 1  -25    8   13 f  333.713   7.0626  757.984   31.909  715.308   44.842  801.756   45.415  324.164   10.208  343.262   9.7631 -19.09726 14.12519 
1 1 1  -25    8   14 o  400.909   6.4857  1127.69   31.740  1177.39   37.941  1011.84   57.932  416.434   6.7233  385.383   11.093 31.05139 12.97132 
1 1 1  -25    8   15 o  455.875   6.9674  1432.42   38.380  1455.24   45.233  1373.74   72.528  462.900   7.2108  448.849   11.924 14.05081 13.93470 
1 1 1  -25    8   16 o  212.973   4.9843  306.927   13.259  305.229   15.896  310.809   24.035  212.099   5.5305  213.846   8.2938 -1.746964 9.968607 
1 1 1  -25    8   17 o  190.405   5.4157  247.628   13.824  256.395   18.445  236.395   20.879  194.312   7.0050  186.499   8.2612 7.812912 10.83134 
1 1 1  -25    8   18 o   92.921   6.4158   58.622   8.0119   69.442   11.644   48.895   11.041  101.070   8.5019   84.772   9.6108 16.29863 12.83158 
1 1 1  -25    8   19 o  245.125   5.2277  414.607   15.836  424.380   18.978  392.202   28.735  250.087   5.5998  240.163   8.8292 9.923264 10.45530 
1 1 1  -25    8   20 o  203.920   5.0481  287.056   12.829  294.647   15.484  270.432   22.913  208.389   5.4831  199.451   8.4776 8.938324 10.09623 
1 1 1  -25    8   21 o  129.900   5.1578  116.467   8.5454  120.367   10.544  109.001   14.589  133.178   5.8422  126.622   8.5019 6.555649 10.31569 
1 1 1  -25    8   22 o  232.576   5.2340  378.177   15.067  395.433   18.190  340.463   26.891  241.404   5.5604  223.747   8.8690 17.65715 10.46791 
1 1 1  -25    8   23 o  192.933   5.5719  252.585   14.568  252.585   14.568   0.0000   0.0000  192.933   5.5719  ?   ?       ?      ? 
1 1 1  -25    8   24 o  203.734   5.6113  281.668   15.492  281.668   15.492   0.0000   0.0000  203.734   5.6113  ?   ?       ?      ? 
1 1 1  -25    8   25 o  241.993   5.2418  399.816   15.697  402.720   18.749  393.010   28.705  243.604   5.6796  240.383   8.8119 3.220749 10.48370 
1 1 1  -25    8   26 o  188.192   4.5864  240.560   11.679  238.714   16.950  242.230   16.116  187.492   6.6710  188.891   6.2959 -1.398514 9.172844 
1 1 1  -25    8   27 o  315.815   5.0991  676.792   21.807  697.635   31.580  657.796   30.149  320.450   7.2724  311.180   7.1495 9.270386 10.19818 
1 1 1  -25    8   28 o  287.537   4.9418  561.849   19.247  547.390   27.373  575.988   27.068  283.864   7.1160  291.211   6.8591 -7.347382 9.883532 
1 1 1  -25    8   29 o  267.754   4.8693  486.950   17.659  487.465   25.376  486.466   24.591  267.882   6.9903  267.627   6.7805 0.2546997 9.738511 
1 1 1  -25    8   30 o  279.891   5.8550  534.835   21.397  540.746   26.957  524.768   35.178  282.129   7.0508  277.653   9.3494 4.476318 11.71004 
1 1 1  -25    8   31 o  283.883   5.8861  548.895   21.815  551.097   27.429  545.104   35.986  284.803   7.1070  282.964   9.3848 1.839386 11.77216 
1 1 1  -25    8   32 o  252.104   5.7779  438.429   19.077  458.533   24.378  406.667   30.642  259.797   6.9244  244.410   9.2514 15.38704 11.55581 
1 1 1  -25    8   33 o  350.853   5.4040  836.918   25.688  831.286   36.639  842.364   36.025  349.678   7.7320  352.027   7.5518 -2.349487 10.80803 
1 1 1  -25    8   34 o  309.479   6.4209  656.136   25.042  640.764   44.239  663.384   30.378  306.520   10.650  312.438   7.1749 -5.917664 12.84177 
1 1 1  -25    8   35 o  227.944   4.8026  352.930   14.823  354.925   21.429  351.099   20.526  228.550   6.9189  227.338   6.6626 1.211792 9.605267 
1 1 1  -25    8   36 o  300.445   5.1030  612.293   20.754  641.303   30.218  586.393   28.553  307.162   7.2598  293.729   7.1733 13.43317 10.20593 
1 1 1  -25    8   37 o  304.977   5.1379  632.166   21.229  636.143   30.419  628.390   29.640  305.902   7.3380  304.052   7.1936 1.850372 10.27589 
1 1 1  -25    8   38 o  286.073   5.0395  556.177   19.529  559.949   28.052  552.630   27.204  287.004   7.2126  285.143   7.0403 1.860107 10.07905 
1 1 1  -25    8   39 o  165.809   4.9083  187.165   11.010  179.005   15.791  194.885   15.360  162.269   7.1811  169.350   6.6930 -7.081909 9.816546 
1 1 1  -25    8   40 o  270.398   6.2534  499.836   21.549  503.544   26.384  492.408   37.347  272.150   7.1539  268.646   10.259 3.504333 12.50678 
1 1 1  -25    8   41 o  225.313   6.0118  352.473   17.136  326.089   29.613  365.755   21.011  218.639   9.9949  231.986   6.6836 -13.34749 12.02366 
1 1 1  -25    8   42 o  243.508   5.9771  395.446   18.352  426.375   33.171  381.803   22.030  250.023   9.7902  236.993   6.8596 13.03008 11.95415 
1 1 1  -25    8   43 o  169.545   6.2394  205.795   13.128  169.400   22.678  224.140   16.101  157.486   10.626  181.603   6.5425 -24.11688 12.47875 
1 1 1  -25    8   44 o  294.040   5.1396  587.315   20.461  605.341   29.719  571.072   28.211  298.310   7.3517  289.769   7.1843 8.541077 10.27916 
1 1 1  -25    8   45 o  349.078   5.4715  829.506   25.877  820.641   36.881  838.101   36.315  347.220   7.8383  350.935   7.6363 -3.715149 10.94308 
1 1 1  -25    8   46 o  165.947   4.9766  186.687   11.170  197.373   16.426  177.494   15.235  170.344   7.1159  161.551   6.9591 8.792114 9.953127 
1 1 1  -25    8   47 o  232.534   4.9556  368.045   15.600  361.236   22.450  374.404   21.693  230.430   7.1893  234.639   6.8225 -4.209366 9.911203 
1 1 1  -25    8   48 o  278.149   5.1738  526.966   19.475  495.418   27.551  558.470   27.532  269.784   7.5358  286.513   7.0910 -16.72867 10.34751 
1 1 1  -25    8   49 f  138.072   6.7060  130.052   11.601  130.337   20.844  129.925   13.963  137.987   11.147  138.157   7.4582 -0.1701355 13.41203 
1 1 1  -25    8   50 o  145.148   6.6422  146.465   11.912  137.241   21.548  150.525   14.295  141.564   11.232  148.732   7.0927 -7.167526 13.28436 
1 1 1  -25    8   51 o  211.891   4.9827  304.604   14.284  322.742   20.930  288.791   19.543  217.771   7.0924  206.010   7.0004 11.76067 9.965310 
1 1 1  -25    8   52 o  236.596   5.0291  381.158   16.110  377.251   23.204  384.795   22.385  235.400   7.2740  237.792   6.9468 -2.391708 10.05825 
1 1 1  -25    8   53 o  221.713   5.0351  335.172   15.101  314.918   21.481  354.963   21.234  215.043   7.3713  228.383   6.8611 -13.34044 10.07026 
1 1 1  -25    8   54 o  343.008   5.5036  801.214   25.568  821.169   36.915  782.816   35.447  347.093   7.8483  338.924   7.7178 8.169434 11.00728 
1 1 1  -25    8   55 o  182.436   6.3929  221.455   14.945  210.027   18.156  245.471   26.319  175.542   7.6322  189.330   10.258 -13.78732 12.78585 
1 1 1  -25    8   56 o  215.829   6.1943  316.938   17.314  313.933   21.479  322.511   29.254  214.628   7.3850  217.031   9.9467 -2.403137 12.38853 
1 1 1  -25    8   57 o  263.685   6.1513  474.605   21.177  473.219   26.588  477.011   35.022  263.455   7.4472  263.914   9.7926 -0.4590149 12.30262 
1 1 1  -25    8   58 f  253.105   5.1768  436.765   17.748  438.958   25.520  434.712   24.698  253.698   7.4230  252.513   7.2178 1.185135 10.35363 
1 1 1  -25    8   59 o   96.672   6.5418   64.370   8.5038   60.517   12.603   67.591   11.522   93.926   9.9013   99.418   8.5525 -5.492508 13.08357 
1 1 1  -25    8   60 o   56.704   9.2183   23.447   7.1938   15.366   10.649   30.230   9.7567   47.142   14.895   66.267   10.865 -19.12474 18.43659 
1 1 1  -25    8   61 o   71.566   7.7575   34.993   7.4874   38.793   11.276   31.996   10.014   74.995   11.095   68.136   10.845 6.859238 15.51507 
1 1 1  -25    8   62 o  146.300   5.3370  146.407   10.547  145.227   15.512  147.422   14.384  145.697   7.8565  146.903   7.2255 -1.205887 10.67393 
1 1 1  -25    8   63 o   81.580   7.1846   46.024   7.8731   44.726   11.849   47.051   10.535   80.446   10.869   82.715   9.3988 -2.269432 14.36918 
1 1 1  -25    8   64 o   74.921   10.081   38.740   10.235   0.0000   0.0000   38.740   10.235  ?   ?    74.921   10.081      ?      ? 
1 1 1  -25    8   65 o   71.028   10.040   35.329   8.7855   38.528   16.056   33.962   10.496   72.101   16.752   69.955   11.072 2.145721 20.08061 
1 1 1  -25    8   66 o  149.634   5.4035  154.489   10.890  138.806   15.673  169.129   15.143  142.125   8.1379  157.143   7.1110 -15.01755 10.80701 
1 1 1  -25    8   67 o  122.596   5.7412  104.161   9.4627   92.059   13.650  115.359   13.130  115.548   8.7171  129.645   7.4737 -14.09646 11.48233 
1 1 1  -25    8   68 o  148.529   5.3286  150.523   10.681  170.420   15.832  133.902   14.471  157.505   7.4177  139.553   7.6519 17.95288 10.65711 
1 1 1  -25    8   69 o  141.683   6.6956  136.613   12.160  131.153   14.823  147.850   21.265  137.946   7.9297  145.420   10.791 -7.473907 13.39123 
1 1 1  -25    8   70 o   51.513   10.814   16.480   7.9871   9.8461   9.6858   30.577   14.119   39.496   14.199   63.530   16.315 -24.03339 21.62887 
1 1 1  -25    8   71 o   58.860   8.9200   25.519   6.9013   25.248   9.7717   25.789   9.7483   58.519   12.688   59.201   12.541 -0.6821938 17.84002 
1 1 1  -25    8   72 f   71.416   7.4679   35.850   7.2036   39.968   10.407   32.063   9.9812   75.442   10.179   67.390   10.930 8.052704 14.93583 
1 1 1  -25    8   73 o  113.496   5.7481   89.058   8.7527  107.540   12.844   73.032   11.960  124.614   7.6057  102.378   8.6205 22.23611 11.49611 
1 1 1  -25    8   74 o   79.607   7.9651   45.219   8.3392   45.323   10.618   45.053   13.471   80.219   9.7679   78.996   12.584 1.222992 15.93013 
1 1 1  -25    8   75 o   92.215   7.3217   61.601   8.8028   65.751   11.290   55.165   14.059   96.916   8.5961   87.515   11.855 9.400673 14.64348 
1 1 1  -25    8   76 o   58.045   9.7612   25.745   7.4787   25.574   9.7341   25.992   11.684   58.232   12.693   57.857   14.832 0.3758125 19.52249 
1 1 1  -25    8   77 o   55.237   10.212   23.700   8.5683   9.7331   12.225   37.185   12.012   40.366   15.649   70.107   13.126 -29.74191 20.42500 
1 1 1  -25    8   78 o   49.580   11.027   19.265   8.2552   18.621   12.277   19.796   11.153   48.918   16.041   50.241   15.135 -1.323254 22.05399 
1 1 1  -25    8   79 o   87.856   8.8980   58.694   10.084   48.017   14.738   68.094   13.828   78.629   14.360   97.083   10.511 -18.45433 17.79603 
1 1 1  -25    8   80 o   36.303   14.051   7.8628   9.8437   0.0000   0.0000   7.8628   9.8437  ?   ?    36.303   14.051      ?      ? 
1 1 1  -25    8   81 o   53.863   14.833   23.336   11.171   0.0000   0.0000   23.336   11.171  ?   ?    53.863   14.833      ?      ? 
1 1 1  -25    9    1 o  180.583   4.3216  221.409   10.575  221.862   14.997  220.961   14.915  180.766   6.1222  180.400   6.1012 0.3661804 8.643233 
1 1 1  -25    9    2 o  197.772   4.7234  270.321   11.751  278.720   14.308  252.913   20.597  202.669   5.2095  192.875   7.8805 9.794022 9.446791 
1 1 1  -25    9    3 o  269.749   5.5575  492.667   19.947  484.355   25.766  505.102   31.514  267.001   7.1211  272.497   8.5342 -5.496368 11.11502 
1 1 1  -25    9    4 o  212.304   4.6446  294.819   12.375  277.746   14.725  335.862   22.831  202.308   5.3711  222.300   7.5789 -19.99187 9.289140 
1 1 1  -25    9    5 o  390.483   6.6167  1048.27   33.738  1078.65   42.724  997.942   54.992  398.331   7.9149  382.636   10.606 15.69437 13.23339 
1 1 1  -25    9    6 f  550.309   7.8836  2069.09   51.921  2073.39   60.636  2057.28  100.518  552.225   8.1027  548.393   13.526 3.832642 15.76725 
1 1 1  -25    9    7 o  419.973   6.5827  1230.31   33.804  1272.86   40.346  1130.08   61.925  432.891   6.8776  407.055   11.226 25.83542 13.16542 
1 1 1  -25    9    8 o  146.381   8.5475  145.736   16.955  145.736   16.955   0.0000   0.0000  146.381   8.5475  ?   ?       ?      ? 
1 1 1  -25    9    9 o  102.708   5.4624   72.186   7.5317   83.098   10.617   61.130   10.686  110.601   7.0837   94.815   8.3169 15.78579 10.92477 
1 1 1  -25    9   10 o  101.393   5.1624   71.534   6.8298   77.112   8.7706   62.941   10.886  106.579   6.0726   96.208   8.3501 10.37105 10.32476 
1 1 1  -25    9   11 o  131.187   4.8083  117.223   8.1857  118.068   10.220  115.711   13.672  131.894   5.7180  130.480   7.7321 1.414139 9.616695 
1 1 1  -25    9   12 o   98.546   5.9484   65.934   7.9308   67.815   11.611   64.289   10.859   99.854   8.5806   97.238   8.2406 2.616699 11.89679 
1 1 1  -25    9   13 o  110.423   8.2718   82.908   12.378   82.908   12.378   0.0000   0.0000  110.423   8.2718  ?   ?       ?      ? 
1 1 1  -25    9   14 o  129.075   4.9746  110.884   8.2797  106.067   10.142  120.513   14.338  125.001   5.9870  133.148   7.9464 -8.147469 9.949277 
1 1 1  -25    9   15 o  111.466   5.0201   83.873   7.3472   82.307   9.2629   86.529   12.065  110.106   6.2080  112.826   7.8910 -2.719818 10.04029 
1 1 1  -25    9   16 o  108.157   5.1665   79.110   7.3334   78.018   9.2491   80.958   12.034  107.193   6.3672  109.122   8.1381 -1.928642 10.33294 
1 1 1  -25    9   17 o  150.806   5.4762  154.835   11.160  158.522   15.330  150.677   16.277  152.739   7.4066  148.872   8.0683 3.866943 10.95239 
1 1 1  -25    9   18 o  435.883   6.7186  1270.66   34.963  1246.08   40.561  1341.72   68.972  428.295   6.9884  443.471   11.477 -15.17538 13.43716 
1 1 1  -25    9   19 o  543.813   7.9451  2055.34   52.179  2104.12   61.614  1931.61   98.120  556.285   8.1733  531.341   13.627 24.94464 15.89028 
1 1 1  -25    9   20 o  415.734   6.4888  1121.45   31.848  1068.81   36.507  1289.16   65.158  396.683   6.7912  434.784   11.059 -38.10117 12.97763 
1 1 1  -25    9   21 o  204.207   5.4215  289.151   14.579  312.403   18.999  255.856   22.735  214.479   6.5369  193.934   8.6510 20.54501 10.84297 
1 1 1  -25    9   22 o  262.467   5.6803  474.820   19.553  496.164   25.030  441.401   31.319  270.265   6.8342  254.670   9.0751 15.59535 11.36068 
1 1 1  -25    9   23 o  196.303   6.6254  261.725   17.625  261.725   17.625   0.0000   0.0000  196.303   6.6254  ?   ?       ?      ? 
1 1 1  -25    9   24 o  164.254   5.4804  188.543   11.817  210.994   15.538  157.734   18.201  176.259   6.5050  152.249   8.8219 24.00995 10.96087 
1 1 1  -25    9   25 o   67.042   7.5730   31.230   6.5276   21.930   8.9244   41.930   9.5724   55.595   12.182   78.489   8.9997 -22.89371 15.14603 
1 1 1  -25    9   26 o  234.927   5.4345  395.521   15.842  433.492   19.466  321.046   27.261  252.707   5.6842  217.147   9.2642 35.55969 10.86903 
1 1 1  -25    9   27 o  274.984   5.4665  520.060   18.552  528.842   22.172  499.561   33.874  279.099   5.8623  270.868   9.2285 8.230560 10.93305 
1 1 1  -25    9   28 o  171.800   5.0458  198.614   11.096  194.715   13.554  206.538   19.323  169.349   5.9060  174.252   8.1828 -4.903122 10.09157 
1 1 1  -25    9   29 o  197.082   4.6640  263.941   12.433  262.392   18.112  265.321   17.099  196.519   6.8010  197.645   6.3841 -1.125778 9.327942 
1 1 1  -25    9   30 o  159.508   4.7382  173.272   10.211  166.368   14.847  179.469   14.065  156.465   7.0021  162.549   6.3852 -6.083984 9.476327 
1 1 1  -25    9   31 o  147.108   4.8264  147.877   9.5669  135.266   13.870  159.321   13.213  141.065   7.2558  153.152   6.3664 -12.08646 9.652881 
1 1 1  -25    9   32 o  232.863   6.9042  368.503   21.787  368.503   21.787   0.0000   0.0000  232.863   6.9042  ?   ?       ?      ? 
1 1 1  -25    9   33 o  263.092   6.1901  484.418   20.435  435.232   35.556  508.678   24.971  252.581   10.388  273.603   6.7349 -21.02167 12.38017 
1 1 1  -25    9   34 o  137.153   4.9564  127.847   9.1717  128.022   13.626  127.702   12.402  137.218   7.3278  137.087   6.6758 0.1312256 9.912762 
1 1 1  -25    9   35 f  285.466   5.0152  554.231   19.392  544.032   27.695  564.040   27.160  282.871   7.2250  288.062   6.9578 -5.190613 10.03047 
1 1 1  -25    9   36 o  349.220   5.4520  829.974   25.780  790.247   36.398  869.968   36.520  340.799   7.8813  357.640   7.5353 -16.84128 10.90396 
1 1 1  -25    9   37 o  136.583   6.2526  130.628   10.628  117.839   18.790  136.644   12.888  131.375   10.554  141.791   6.7074 -10.41614 12.50515 
1 1 1  -25    9   38 o  151.461   5.8754  145.251   11.200  186.088   20.964  128.941   13.248  165.216   9.3636  137.706   7.0995 27.50949 11.75079 
1 1 1  -25    9   39 o  209.283   6.0664  293.351   16.272  283.503   19.842  313.571   28.432  204.175   7.1714  214.391   9.7865 -10.21523 12.13273 
1 1 1  -25    9   40 o   99.713   5.7954   68.015   7.7788   64.518   11.509   70.956   10.555   97.309   8.7277  102.116   7.6273 -4.806900 11.59083 
1 1 1  -25    9   41 o  220.470   4.8296  329.099   14.396  351.682   21.257  309.966   19.565  227.419   6.8975  213.520   6.7618 13.89883 9.659117 
1 1 1  -25    9   42 o  182.423   4.8450  226.491   11.952  223.050   17.408  229.558   16.438  181.088   7.0938  183.758   6.6011 -2.670013 9.690001 
1 1 1  -25    9   43 o   84.922   6.5208   48.571   7.4539   54.880   11.367   43.812   9.8728   89.691   9.3523   80.153   9.0894 9.538422 13.04163 
1 1 1  -25    9   44 o  177.969   7.3931  215.545   17.830  215.545   17.830   0.0000   0.0000  177.969   7.3931  ?   ?       ?      ? 
1 1 1  -25    9   45 o  206.876   5.0376  290.774   14.090  297.002   20.734  285.431   19.206  208.906   7.3241  204.845   6.9187 4.061722 10.07521 
1 1 1  -25    9   46 o  217.451   5.0032  321.878   14.712  319.408   21.474  324.062   20.196  216.633   7.3150  218.269   6.8278 -1.635605 10.00644 
1 1 1  -25    9   47 o  166.475   5.0782  189.597   11.395  174.501   16.531  203.264   15.729  160.082   7.6202  172.869   6.7144 -12.78650 10.15631 
1 1 1  -25    9   48 o  108.440   7.0165   77.493   9.4661   87.638   17.705   73.432   11.201  113.066   11.556  103.814   7.9622 9.251579 14.03306 
1 1 1  -25    9   49 o  176.323   6.3274  220.030   13.866  191.609   24.309  233.736   16.881  167.293   10.723  185.353   6.7208 -18.05946 12.65478 
1 1 1  -25    9   50 o  300.788   5.2504  613.977   21.358  651.336   31.455  582.022   29.091  309.230   7.5064  292.346   7.3432 16.88339 10.50086 
1 1 1  -25    9   51 o  134.853   5.4942  124.871   9.9640  111.855   14.461  136.636   13.748  128.053   8.3336  141.653   7.1621 -13.60028 10.98838 
1 1 1  -25    9   52 o  176.800   5.0943  213.284   12.179  206.011   17.630  219.922   16.843  173.876   7.4822  179.724   6.9156 -5.848648 10.18869 
1 1 1  -25    9   53 o  101.445   6.4673   71.276   8.7698   60.480   12.760   80.941   12.073   93.978   10.019  108.911   8.1802 -14.93239 12.93466 
1 1 1  -25    9   54 o  239.238   7.3718  390.153   23.899  390.153   23.899   0.0000   0.0000  239.238   7.3718  ?   ?       ?      ? 
1 1 1  -25    9   55 o  246.457   6.1468  416.316   19.701  419.192   24.669  411.252   32.733  247.947   7.3421  244.968   9.8605 2.978485 12.29367 
1 1 1  -25    9   56 o  170.296   5.2350  198.540   12.024  189.224   17.629  206.645   16.442  166.481   7.8139  174.111   6.9688 -7.629288 10.47004 
1 1 1  -25    9   57 o  133.448   5.5488  121.850   9.9928  119.286   14.732  124.035   13.600  132.091   8.2301  134.804   7.4447 -2.713181 11.09763 
1 1 1  -25    9   58 o  191.486   5.1311  250.108   13.283  253.037   19.523  247.584   18.124  192.484   7.4845  190.489   7.0212 1.994797 10.26228 
1 1 1  -25    9   59 f  272.942   5.2311  509.612   19.322  484.215   27.510  534.338   27.145  266.151   7.6275  279.733   7.1608 -13.58182 10.46210 
1 1 1  -25    9   60 o  130.656   5.5906  117.171   9.8606  112.445   14.411  121.331   13.522  128.104   8.3013  133.207   7.4906 -5.103088 11.18130 
1 1 1  -25    9   61 o  126.620   7.1630  111.998   11.031  107.294   20.573  113.896   13.068  124.220   12.222  129.021   7.4745 -4.800636 14.32599 
1 1 1  -25    9   62 o   94.403   8.5291   61.193   9.5783   63.851   18.877   60.272   11.115   95.168   14.637   93.638   8.7597 1.529724 17.05815 
1 1 1  -25    9   63 f  128.443   6.7899  107.728   10.937  130.337   20.408   98.618   12.955  137.017   10.991  119.868   7.9753 17.14906 13.57979 
1 1 1  -25    9   64 o  158.012   5.3370  171.711   11.379  166.165   16.724  176.492   15.528  155.527   7.9350  160.496   7.1393 -4.969345 10.67393 
1 1 1  -25    9   65 o  158.620   5.2638  173.324   11.273  162.130   16.280  183.636   15.626  153.574   7.8226  163.665   7.0454 -10.09056 10.52758 
1 1 1  -25    9   66 o   74.836   9.8852   38.900   10.025   0.0000   0.0000   38.900   10.025  ?   ?    74.836   9.8852      ?      ? 
1 1 1  -25    9   67 o   80.155   6.8442   44.593   7.4244   46.095   10.841   43.266   10.188   81.392   9.8293   78.918   9.5267 2.474159 13.68843 
1 1 1  -25    9   68 o   60.057   10.518   24.556   8.1898   18.898   9.9491   36.449   14.424   50.519   14.032   69.595   15.671 -19.07605 21.03531 
1 1 1  -25    9   69 o  143.498   6.6979  144.674   12.179  146.744   14.881  140.474   21.195  145.818   7.5308  141.179   11.079 4.638748 13.39579 
1 1 1  -25    9   70 o   68.129   7.8739   34.030   6.9087   26.270   10.021   41.060   9.5379   59.549   12.799   76.709   9.1753 -17.16009 15.74775 
1 1 1  -25    9   71 o   51.210   8.6325   19.454   6.4181   9.5032   9.1976   28.897   8.9602   38.412   13.834   64.008   10.330 -25.59631 17.26499 
1 1 1  -25    9   72 o   67.621   9.1734   35.947   7.9172   44.557   10.360   23.862   12.275   79.583   9.6068   55.659   15.631 23.92330 18.34677 
1 1 1  -25    9   73 o   90.359   7.2564   54.638   8.6274   42.332   10.834   75.965   14.263   77.207   10.355  103.510   10.168 -26.30338 14.51276 
1 1 1  -25    9   74 o   78.174   8.2798   45.276   8.2386   47.594   10.570   41.688   13.150   82.033   9.5084   74.315   13.558 7.718521 16.55953 
1 1 1  -25    9   75 o   37.500   9.4795   8.0226   7.0016   15.955   9.1197  -3.3652   10.927   45.792   13.661   29.209   13.146 16.58275 18.95908 
1 1 1  -25    9   76 o   77.048   9.4735   45.229   9.5421   39.918   14.012   49.822   13.030   71.418   14.958   82.678   11.630 -11.26086 18.94703 
1 1 1  -25    9   77 o  101.160   8.0242   74.922   10.940   71.107   16.027   78.251   14.971   98.292   12.032  104.028   10.620 -5.736038 16.04831 
1 1 1  -25    9   78 o   63.862   14.580   32.286   12.340   0.0000   0.0000   32.286   12.340  ?   ?    63.862   14.580      ?      ? 
1 1 1  -25    9   79 o   72.452   13.048   40.389   12.340   0.0000   0.0000   40.389   12.340  ?   ?    72.452   13.048      ?      ? 
1 1 1  -25    9   80 o   36.164   14.422   7.2372   10.639   0.0000   0.0000   7.2372   10.639  ?   ?    36.164   14.422      ?      ? 
1 1 1  -25   10    1 o  230.474   4.6198  360.874   14.429  362.949   20.465  358.822   20.346  231.133   6.5338  229.815   6.5331 1.317780 9.239639 
1 1 1  -25   10    2 o  351.423   9.9134  841.925   47.210   0.0000   0.0000  841.925   47.210  ?   ?   351.423   9.9134      ?      ? 
1 1 1  -25   10    3 o  336.115   6.0332  748.823   26.245  704.932   32.196  835.763   45.313  322.008   7.3782  350.222   9.5477 -28.21362 12.06631 
1 1 1  -25   10    4 o  177.889   5.6007  213.563   13.443  233.745   20.192  197.497   18.015  185.368   8.0381  170.410   7.8013 14.95850 11.20139 
1 1 1  -25   10    5 o  140.493   4.9906  135.242   9.3858  142.420   12.545  126.114   14.146  144.800   6.3932  136.185   7.6650 8.615234 9.981248 
1 1 1  -25   10    6 o  280.140   5.6523  542.316   20.794  572.281   26.756  496.621   33.041  290.216   6.8034  270.065   9.0283 20.15106 11.30468 
1 1 1  -25   10    7 o  210.611   6.4289  301.295   18.349  301.295   18.349   0.0000   0.0000  210.611   6.4289  ?   ?       ?      ? 
1 1 1  -25   10    8 o  218.743   5.1651  322.614   14.967  313.251   19.110  337.468   24.070  214.738   6.5670  222.748   7.9742 -8.009689 10.33020 
1 1 1  -25   10    9 o  222.356   5.2501  339.288   15.460  352.400   20.077  320.185   24.233  227.769   6.5046  216.943   8.2427 10.82582 10.50010 
1 1 1  -25   10   10 o  167.539   4.9812  188.642   11.162  178.505   14.497  203.405   17.494  162.101   6.5994  172.976   7.4630 -10.87466 9.962328 
1 1 1  -25   10   11 f  171.734   4.7460  198.660   10.534  194.808   13.005  206.010   17.965  169.400   5.6651  174.069   7.6161 -4.668640 9.492021 
1 1 1  -25   10   12 o  118.836   4.9398   97.408   7.7029  102.333   9.8853   89.793   12.291  122.766   5.9420  114.907   7.8930 7.859337 9.879626 
1 1 1  -25   10   13 o  119.093   4.9446   96.463   7.7610   96.742   9.8942   96.016   12.512  119.358   6.1171  118.828   7.7703 0.5293579 9.889220 
1 1 1  -25   10   14 o  172.298   4.9235  206.677   10.784  217.141   13.331  186.863   18.345  178.856   5.5002  165.740   8.1677 13.11682 9.847019 
1 1 1  -25   10   15 o  164.831   4.8672  186.471   10.302  190.638   12.760  178.670   17.460  167.579   5.6187  162.082   7.9491 5.497589 9.734389 
1 1 1  -25   10   16 o  226.698   5.5247  351.184   16.765  361.283   22.233  337.874   25.525  230.564   7.1159  222.832   8.4529 7.732635 11.04933 
1 1 1  -25   10   17 o  206.133   5.0877  293.963   13.312  304.318   16.359  273.664   22.904  211.721   5.7016  200.544   8.4278 11.17709 10.17530 
1 1 1  -25   10   18 o  212.892   7.1484  308.040   20.623  308.040   20.623   0.0000   0.0000  212.892   7.1484  ?   ?       ?      ? 
1 1 1  -25   10   19 o  290.984   5.9952  574.958   23.640  574.958   23.640   0.0000   0.0000  290.984   5.9952  ?   ?       ?      ? 
1 1 1  -25   10   20 o  136.270   5.2360  128.613   9.1689  134.246   11.435  118.473   15.343  140.604   6.0016  131.935   8.5816 8.669189 10.47203 
1 1 1  -25   10   21 o  184.044   4.8453  220.912   11.334  205.136   13.606  256.667   20.484  173.820   5.7764  194.269   7.7807 -20.44856 9.690537 
1 1 1  -25   10   22 o  337.402   6.2331  773.198   28.499  773.198   28.499   0.0000   0.0000  337.402   6.2331  ?   ?       ?      ? 
1 1 1  -25   10   23 o  361.569   6.1083  891.219   26.814  892.852   31.578  887.002   50.767  362.538   6.4276  360.600   10.389 1.937775 12.21657 
1 1 1  -25   10   24 o  242.648   5.1964  390.880   15.646  377.605   18.543  423.684   29.149  235.820   5.8025  249.475   8.6220 -13.65494 10.39273 
1 1 1  -25   10   25 o  153.951   4.9939  156.475   9.8584  147.570   11.971  175.238   17.377  147.409   5.9929  160.492   7.9901 -13.08292 9.987775 
1 1 1  -25   10   26 f  185.040   5.0826  235.326   11.916  240.185   14.559  225.467   20.738  188.079   5.7124  182.002   8.4083 6.076645 10.16520 
1 1 1  -25   10   27 o  253.325   5.4809  454.385   17.246  485.790   21.026  389.821   30.147  267.467   5.8010  239.184   9.3011 28.28372 10.96182 
1 1 1  -25   10   28 o  229.405   5.1513  349.871   14.781  337.808   17.626  378.466   27.137  223.033   5.8317  235.777   8.4933 -12.74362 10.30264 
1 1 1  -25   10   29 o  181.605   5.1267  225.324   11.850  227.417   14.496  221.109   20.573  182.994   5.8454  180.216   8.4240 2.778229 10.25344 
1 1 1  -25   10   30 f  228.199   5.5458  343.132   16.718  307.854   21.006  404.081   27.611  212.770   7.2855  243.627   8.3633 -30.85602 11.09155 
1 1 1  -25   10   31 o  217.567   5.6775  324.789   16.474  338.714   21.741  306.011   25.247  223.185   7.1884  211.950   8.7901 11.23480 11.35509 
1 1 1  -25   10   32 o  218.900   6.4916  325.635   19.257   0.0000   0.0000  325.635   19.257  ?   ?   218.900   6.4916      ?      ? 
1 1 1  -25   10   33 o  225.360   5.8551  344.491   16.589  349.333   29.718  342.299   19.994  226.303   9.6904  224.417   6.5745 1.885590 11.71011 
1 1 1  -25   10   34 o  154.232   4.8913  162.696   10.152  151.585   14.945  172.213   13.832  149.276   7.3880  159.187   6.4121 -9.910706 9.782541 
1 1 1  -25   10   35 o  256.147   4.9072  445.128   17.005  462.938   24.945  429.666   23.242  260.908   7.0552  251.387   6.8225 9.520966 9.814375 
1 1 1  -25   10   36 o  227.274   4.8346  348.904   14.839  381.166   22.119  322.501   20.010  236.758   6.8941  217.790   6.7798 18.96777 9.669252 
1 1 1  -25   10   37 o  267.685   4.9882  487.538   18.080  482.659   26.020  492.093   25.142  266.367   7.2084  269.003   6.8971 -2.635559 9.976464 
1 1 1  -25   10   38 o  283.888   6.3044  544.431   22.816  534.870   27.775  564.273   40.012  280.378   7.3101  287.399   10.274 -7.021515 12.60889 
1 1 1  -25   10   39 f  267.406   5.0448  487.199   18.227  442.446   25.691  532.556   25.864  254.976   7.4353  279.836   6.8203 -24.85933 10.08959 
1 1 1  -25   10   40 o  143.661   5.3178  141.693   10.250  129.630   15.196  151.762   13.883  137.948   8.1288  149.375   6.8584 -11.42731 10.63554 
1 1 1  -25   10   41 o  269.615   5.0897  494.882   18.576  489.333   26.817  500.001   25.756  268.132   7.3803  271.099   7.0107 -2.966431 10.17934 
1 1 1  -25   10   42 o  365.918   8.0694  912.228   40.014  912.228   40.014   0.0000   0.0000  365.918   8.0694  ?   ?       ?      ? 
1 1 1  -25   10   43 o  352.330   5.5340  845.822   26.414  828.202   37.551  863.079   37.162  348.668   7.9475  355.992   7.7032 -7.324127 11.06807 
1 1 1  -25   10   44 f  251.290   4.9935  428.817   16.975  444.730   24.910  415.022   23.193  255.613   7.1913  246.967   6.9301 8.645035 9.987000 
1 1 1  -25   10   45 o  149.052   5.1561  151.085   10.360  152.924   15.504  149.602   13.926  149.836   7.6356  148.268   6.9311 1.568100 10.31226 
1 1 1  -25   10   46 o  163.005   5.0371  181.716   11.067  170.698   16.197  191.365   15.157  158.301   7.5504  167.708   6.6693 -9.406830 10.07412 
1 1 1  -25   10   47 o   94.809   7.8611   64.056   8.9455   56.247   16.649   67.225   10.607   90.308   13.604   99.310   7.8814 -9.001938 15.72229 
1 1 1  -25   10   48 o  170.310   6.1355  191.952   13.082  213.839   24.121  182.832   15.571  176.756   10.070  163.864   7.0120 12.89212 12.27094 
1 1 1  -25   10   49 o  104.809   6.0560   74.508   8.5705   80.988   12.799   69.241   11.540  108.903   8.6726  100.715   8.4551 8.188072 12.11209 
1 1 1  -25   10   50 o  173.498   5.8378  200.956   13.406  185.882   16.960  226.065   21.889  165.117   7.5796  181.880   8.8808 -16.76378 11.67561 
1 1 1  -25   10   51 o  227.470   5.9275  352.195   17.688  348.639   22.321  358.198   29.001  226.153   7.2832  228.787   9.3539 -2.633682 11.85499 
1 1 1  -25   10   52 o  158.875   7.6763  172.236   16.527  172.236   16.527   0.0000   0.0000  158.875   7.6763  ?   ?       ?      ? 
1 1 1  -25   10   53 o  152.447   6.6091  156.476   12.937  150.934   15.805  167.731   22.522  148.672   7.8448  156.221   10.639 -7.548523 13.21826 
1 1 1  -25   10   54 o  231.097   5.0574  364.666   15.809  338.304   22.291  391.348   22.426  222.633   7.3885  239.561   6.9080 -16.92816 10.11481 
1 1 1  -25   10   55 f  170.900   5.1324  198.681   11.862  210.732   17.466  188.363   16.162  175.679   7.3364  166.121   7.1792 9.558395 10.26472 
1 1 1  -25   10   56 o  188.057   5.1130  241.636   13.002  240.039   18.986  243.046   17.843  187.421   7.4754  188.694   6.9778 -1.273224 10.22603 
1 1 1  -25   10   57 f  178.666   5.1568  219.057   12.431  205.081   18.056  231.650   17.139  173.139   7.6957  184.193   6.8663 -11.05389 10.31357 
1 1 1  -25   10   58 o  166.802   6.7174  200.088   13.723  170.256   24.461  213.788   16.577  156.711   11.518  176.892   6.9152 -20.18138 13.43479 
1 1 1  -25   10   59 o  125.165   7.3850  110.052   11.080  104.466   21.086  112.183   13.023  122.330   12.720  127.999   7.5078 -5.669464 14.77008 
1 1 1  -25   10   60 o  229.921   5.1710  361.591   16.069  368.006   23.685  356.120   21.873  231.730   7.5425  228.111   7.0760 3.618561 10.34208 
1 1 1  -25   10   61 o  204.813   5.1187  288.552   14.146  271.451   20.577  303.876   19.478  198.908   7.6338  210.717   6.8212 -11.80891 10.23738 
1 1 1  -25   10   62 o  129.549   6.6923  113.766   10.854  122.201   19.826  110.156   12.971  132.431   11.047  126.668   7.5564 5.763191 13.38457 
1 1 1  -25   10   63 o  122.314   5.6917  104.002   9.3292   94.316   13.840  112.068   12.630  116.870   8.7388  127.759   7.2950 -10.88815 11.38346 
1 1 1  -25   10   64 o   86.904   6.6672   52.257   7.8099   53.761   11.731   51.061   10.467   87.932   9.8447   85.876   8.9939 2.055672 13.33444 
1 1 1  -25   10   65 o   73.137   7.3962   37.071   7.2981   41.616   10.925   33.408   9.8075   77.152   10.449   69.122   10.470 8.030579 14.79248 
1 1 1  -25   10   66 o   50.400   9.1698   17.418   6.6924   29.580   10.299   8.5290   8.8047   63.588   12.397   37.213   13.515 26.37521 18.33969 
1 1 1  -25   10   67 o   77.230   9.1539   43.662   8.7716   44.442   10.807   42.156   15.017   79.642   10.013   74.819   15.327 4.822716 18.30771 
1 1 1  -25   10   68 o   82.310   6.7893   47.414   7.5685   49.662   10.872   45.300   10.543   84.222   9.5258   80.397   9.6766 3.824570 13.57861 
1 1 1  -25   10   69 o   41.542   9.3322   11.828   6.1949   17.792   8.9712   6.3923   8.5647   48.737   13.240   34.348   13.155 14.38832 18.66433 
1 1 1  -25   10   70 o   58.895   9.7095   25.517   7.4208   23.002   9.3524   29.791   12.193   55.390   12.727   62.401   14.667 -7.010681 19.41897 
1 1 1  -25   10   71 o   69.349   9.0415   35.090   8.0419   33.773   10.118   37.351   13.252   68.762   10.858   69.936   14.460 -1.173927 18.08310 
1 1 1  -25   10   72 o  114.190   6.6511   91.171   9.9423   88.233   12.461   96.316   16.492  112.267   8.1908  116.114   10.481 -3.846718 13.30215 
1 1 1  -25   10   73 o  146.014   6.0913  145.561   11.662  133.061   14.507  168.394   19.608  137.947   7.7606  154.081   9.3908 -16.13330 12.18251 
1 1 1  -25   10   74 o  101.162   6.8821   73.602   9.1740   75.665   11.805   70.455   14.577  103.620   8.4069   98.704   10.898 4.916145 13.76411 
1 1 1  -25   10   75 o   42.865   10.208   12.901   7.9551   1.1461   12.225   21.534   10.477   33.444   14.522   52.287   14.351 -18.84325 20.41641 
1 1 1  -25   10   76 o   87.933   11.341   56.667   13.514   0.0000   0.0000   56.667   13.514  ?   ?    87.933   11.341      ?      ? 
1 1 1  -25   10   77 o   73.165   13.172   41.280   12.580   0.0000   0.0000   41.280   12.580  ?   ?    73.165   13.172      ?      ? 
1 1 1  -25   10   78 o   24.377   11.456  -8.0787   9.6626   0.0000   0.0000  -8.0787   9.6626  ?   ?    24.377   11.456      ?      ? 
1 1 1  -25   11    1 o  146.073   5.9057  134.166   10.429  170.410   20.955  122.233   12.024  158.045   9.7842  134.102   6.6164 23.94304 11.81138 
1 1 1  -25   11    2 o  207.012   5.9406  287.701   15.161  301.771   28.344  282.063   17.943  210.298   9.9459  203.725   6.4993 6.573654 11.88115 
1 1 1  -25   11    3 o  251.063   5.2285  444.658   16.321  472.433   19.872  387.097   28.608  263.767   5.5597  238.359   8.8566 25.40741 10.45707 
1 1 1  -25   11    4 o  180.372   4.7192  221.599   10.840  222.512   13.249  219.749   18.851  181.032   5.4006  179.711   7.7405 1.321228 9.438311 
1 1 1  -25   11    5 o  242.581   5.5680  404.518   18.047  429.943   24.085  371.966   27.253  251.462   7.0680  233.699   8.6054 17.76375 11.13600 
1 1 1  -25   11    6 o  279.435   5.7586  530.290   21.806  530.290   21.806   0.0000   0.0000  279.435   5.7586  ?   ?       ?      ? 
1 1 1  -25   11    7 o  210.681   4.9104  303.154   13.050  305.641   15.830  297.878   23.054  212.166   5.5057  209.196   8.1324 2.969421 9.820839 
1 1 1  -25   11    8 o  238.047   5.0834  387.676   15.148  391.570   18.267  379.104   27.105  240.137   5.6134  235.957   8.4767 4.179550 10.16683 
1 1 1  -25   11    9 o  295.610   5.5362  610.717   20.280  636.819   24.487  553.718   36.186  306.207   5.9012  285.014   9.3688 21.19247 11.07246 
1 1 1  -25   11   10 o  163.587   4.7955  181.350   10.140  180.100   12.557  183.692   17.192  162.855   5.6900  164.318   7.7209 -1.463486 9.591009 
1 1 1  -25   11   11 o  207.077   5.1715  307.360   13.417  340.743   16.683  246.226   22.576  224.022   5.4955  190.133   8.7623 33.88924 10.34301 
1 1 1  -25   11   12 o  261.253   5.1297  447.970   16.604  425.987   19.595  503.937   31.266  250.455   5.7735  272.051   8.4808 -21.59624 10.25948 
1 1 1  -25   11   13 o  237.482   5.2503  399.850   15.613  431.505   19.218  338.384   26.779  252.086   5.6256  222.878   8.8664 29.20766 10.50052 
1 1 1  -25   11   14 o  216.308   5.2337  307.544   14.962  273.405   18.805  366.443   24.700  200.548   6.9194  232.068   7.8541 -31.51958 10.46731 
1 1 1  -25   11   15 o  171.058   5.3881  198.461   12.462  190.785   16.951  207.490   18.384  167.483   7.4684  174.634   7.7684 -7.151169 10.77617 
1 1 1  -25   11   16 o  301.826   5.4984  606.563   20.410  589.080   24.063  651.380   38.528  294.490   6.0297  309.163   9.1962 -14.67230 10.99676 
1 1 1  -25   11   17 o  237.384   5.2128  389.607   15.580  401.183   18.979  365.687   27.282  243.052   5.7623  231.715   8.6884 11.33690 10.42554 
1 1 1  -25   11   18 o  209.971   5.4044  299.187   15.144  295.732   19.716  304.158   23.650  208.566   6.9757  211.375   8.2566 -2.808731 10.80886 
1 1 1  -25   11   19 o  283.864   5.7853  542.903   21.630  525.597   27.326  571.935   35.393  278.009   7.2533  289.718   9.0149 -11.70941 11.57061 
1 1 1  -25   11   20 o  245.592   5.6212  410.173   18.262  409.073   23.400  411.888   29.209  245.287   7.0398  245.896   8.7655 -0.6093903 11.24243 
1 1 1  -25   11   21 o  188.964   6.9473  242.762   17.790  242.762   17.790   0.0000   0.0000  188.964   6.9473  ?   ?       ?      ? 
1 1 1  -25   11   22 o  274.002   5.7631  508.074   20.849  498.041   26.518  524.316   33.740  270.616   7.2310  277.387   8.9758 -6.770294 11.52621 
1 1 1  -25   11   23 o  188.766   5.4700  242.597   13.849  243.391   18.340  241.544   21.126  189.184   7.1536  188.349   8.2771 0.8353119 10.94005 
1 1 1  -25   11   24 o  139.286   11.639  132.734   21.969  132.734   21.969   0.0000   0.0000  139.286   11.639  ?   ?       ?      ? 
1 1 1  -25   11   25 o  131.089   6.3932  116.781   11.357  116.781   11.357   0.0000   0.0000  131.089   6.3932  ?   ?       ?      ? 
1 1 1  -25   11   26 o   96.303   5.9231   64.350   7.4793   68.521   9.6321   58.018   11.870  100.378   7.0812   92.229   9.4969 8.148201 11.84624 
1 1 1  -25   11   27 o  111.951   5.6515   87.424   8.2469   94.283   10.579   76.797   13.167  117.770   6.6285  106.132   9.1553 11.63731 11.30294 
1 1 1  -25   11   28 o  234.366   5.4230  390.120   15.879  421.220   19.513  329.155   27.320  249.020   5.7825  219.712   9.1759 29.30717 10.84598 
1 1 1  -25   11   29 o  225.131   5.2313  343.495   14.805  341.244   17.840  348.474   26.533  224.124   5.8739  226.139   8.6581 -2.015152 10.46257 
1 1 1  -25   11   30 o  302.972   6.1648  626.450   24.726  629.673   31.790  621.516   39.340  304.151   7.7128  301.792   9.6194 2.358307 12.32965 
1 1 1  -25   11   31 o  160.525   5.9668  177.773   12.815  199.387   17.576  153.239   18.726  171.160   7.5776  149.890   9.2191 21.26927 11.93362 
1 1 1  -25   11   32 o  286.847   5.5993  551.888   19.772  540.568   23.372  580.378   37.079  282.038   6.1151  291.657   9.3815 -9.618896 11.19854 
1 1 1  -25   11   33 o  410.500   6.6597  1153.53   33.171  1158.14   39.077  1141.65   62.749  412.624   6.9885  408.377   11.339 4.246796 13.31931 
1 1 1  -25   11   34 o  326.082   5.8955  705.054   23.500  680.741   27.562  769.786   44.973  316.435   6.4275  335.728   9.8852 -19.29230 11.79109 
1 1 1  -25   11   35 o  250.355   4.9840  424.145   16.858  456.190   25.065  397.677   22.779  258.930   7.1432  241.781   6.9524 17.14861 9.968035 
1 1 1  -25   11   36 o  191.971   6.1903  251.350   15.228  251.433   18.715  251.187   26.196  192.218   7.1849  191.723   10.083 0.4951324 12.38066 
1 1 1  -25   11   37 o  145.390   6.5152  149.072   12.019  159.609   14.928  129.654   20.265  153.142   7.1932  137.637   10.865 15.50464 13.03048 
1 1 1  -25   11   38 o  102.170   5.7850   72.173   7.8520   65.050   12.006   77.497   10.379   97.633   9.0744  106.707   7.1779 -9.073936 11.57010 
1 1 1  -25   11   39 o  167.396   4.8963  189.365   11.062  205.277   16.584  176.611   14.847  173.675   7.0464  161.117   6.8002 12.55797 9.792554 
1 1 1  -25   11   40 o  171.629   4.9065  198.973   11.364  217.063   17.053  184.522   15.241  178.583   7.0464  164.676   6.8296 13.90691 9.813054 
1 1 1  -25   11   41 o  138.602   5.2367  132.422   9.7096  117.235   14.378  145.156   13.165  131.139   8.0904  146.066   6.6512 -14.92645 10.47346 
1 1 1  -25   11   42 o  176.295   4.9360  212.644   11.729  197.444   17.090  226.177   16.125  170.258   7.4072  182.332   6.5262 -12.07471 9.872045 
1 1 1  -25   11   43 o  181.729   4.9502  224.225   12.155  232.694   18.015  217.147   16.468  184.846   7.1920  178.612   6.8038 6.234055 9.900321 
1 1 1  -25   11   44 o  122.169   5.5147  102.312   9.0621   96.360   13.424  107.296   12.284  118.833   8.3358  125.505   7.2225 -6.672203 11.02948 
1 1 1  -25   11   45 o  187.301   7.3139  239.049   18.564  239.049   18.564   0.0000   0.0000  187.301   7.3139  ?   ?       ?      ? 
1 1 1  -25   11   46 o  210.732   6.9925  307.903   19.663  250.420   28.117  362.923   27.508  191.010   10.863  230.454   8.8083 -39.44412 13.98500 
1 1 1  -25   11   47 o   61.193   9.9882   27.107   8.1146   29.309   11.099   24.578   11.894   64.001   13.234   58.384   14.964 5.616676 19.97642 
1 1 1  -25   11   48 o  154.884   5.2166  163.129   10.922  170.050   16.144  157.289   14.830  157.881   7.5458  151.887   7.2052 5.993896 10.43329 
1 1 1  -25   11   49 o  227.896   5.0318  355.062   15.498  336.140   22.334  372.636   21.524  221.960   7.4253  233.832   6.7926 -11.87137 10.06354 
1 1 1  -25   11   50 o  189.341   5.0292  244.892   12.865  239.707   18.828  249.434   17.620  187.403   7.4138  191.279   6.7977 -3.875397 10.05845 
1 1 1  -25   11   51 o   88.221   6.7900   53.328   8.0983   54.724   11.931   52.135   11.028   89.259   9.8636   87.183   9.3342 2.075134 13.58008 
1 1 1  -25   11   52 o  166.069   6.4864  188.032   13.772  185.663   16.838  192.821   23.937  164.834   7.5383  167.304   10.558 -2.470139 12.97277 
1 1 1  -25   11   53 o  115.093   5.8314   91.807   8.9827   78.684   13.059  103.594   12.376  107.075   8.9997  123.111   7.4180 -16.03674 11.66288 
1 1 1  -25   11   54 o  129.624   5.4928  115.294   9.5848  112.349   14.299  117.696   12.916  128.035   8.2411  131.212   7.2642 -3.177444 10.98560 
1 1 1  -25   11   55 o  120.113   7.4906  106.398   10.683   85.021   19.611  115.420   12.740  110.321   13.117  129.905   7.2368 -19.58343 14.98124 
1 1 1  -25   11   56 o   65.673   10.375   32.045   8.2283   28.152   16.128   33.415   9.5671   61.806   18.097   69.541   10.152 -7.734566 20.75027 
1 1 1  -25   11   57 f   95.437   6.3409   61.788   8.1191   69.437   12.614   56.377   10.609  100.350   9.2755   90.524   8.6484 9.825783 12.68186 
1 1 1  -25   11   58 o  107.426   6.0081   79.347   8.6494   80.023   13.275   78.849   11.402  107.701   9.0960  107.152   7.8520 0.5490341 12.01627 
1 1 1  -25   11   59 o  114.999   5.7540   89.957   8.9112  100.900   13.552   81.620   11.828  121.063   8.2604  108.935   8.0123 12.12815 11.50792 
1 1 1  -25   11   60 o  108.434   5.9567   80.847   8.6652   82.825   13.291   79.385   11.428  109.459   8.9603  107.409   7.8513 2.049286 11.91344 
1 1 1  -25   11   61 o  130.515   6.5695  114.991   10.669  126.119   19.788  110.431   12.668  134.297   10.873  126.733   7.3760 7.563766 13.13892 
1 1 1  -25   11   62 o   72.849   7.3332   36.429   7.1707   42.212   11.106   32.295   9.3904   77.680   10.550   68.017   10.188 9.662651 14.66634 
1 1 1  -25   11   63 o   66.833   7.9875   31.920   6.9654   31.858   10.758   31.964   9.1396   66.027   12.481   67.639   9.9713 -1.611237 15.97505 
1 1 1  -25   11   64 o   46.422   9.6632   15.709   6.4389   17.184   9.8410   14.605   8.5144   48.188   14.144   44.656   13.170 3.531345 19.32650 
1 1 1  -25   11   65 o   72.884   7.3410   37.546   7.2148   35.293   10.516   39.550   9.9171   70.645   10.984   75.122   9.7418 -4.476265 14.68194 
1 1 1  -25   11   66 o   98.897   7.4811   67.674   9.5643   64.363   11.754   74.165   16.455   95.950   9.0395  101.844   11.923 -5.894173 14.96216 
1 1 1  -25   11   67 o   68.260   8.9957   35.070   7.9042   38.597   10.303   30.024   12.323   73.857   10.294   62.664   14.755 11.19366 17.99143 
1 1 1  -25   11   68 o   26.817   8.3713  -5.6870   6.6544   4.1605   9.0253 -17.4172   9.8503   32.484   13.167   21.150   10.341 11.33365 16.74269 
1 1 1  -25   11   69 o   63.518   9.3804   33.144   7.8488   43.109   10.133   18.204   12.409   78.058   9.5798   48.978   16.131 29.07994 18.76080 
1 1 1  -25   11   70 o   43.601   10.356   13.808   7.1228   12.814   9.2200   15.280   11.217   41.851   13.910   45.350   15.345 -3.499420 20.71146 
1 1 1  -25   11   71 o   54.669   13.113   22.937   9.5898   22.937   9.5898   0.0000   0.0000   54.669   13.113  ?   ?       ?      ? 
1 1 1  -25   11   72 o   62.577   9.3976   30.221   7.5564   30.685   9.6407   29.482   12.168   64.083   11.525   61.072   14.847 3.010490 18.79527 
1 1 1  -25   11   73 o   40.453   10.790   10.434   8.0560   14.298   12.282   7.5165   10.672   44.166   15.974   36.741   14.509 7.424557 21.58021 
1 1 1  -25   11   74 o   29.827   12.986   0.3493   9.8289   0.0000   0.0000   0.3493   9.8289  ?   ?    29.827   12.986      ?      ? 
1 1 1  -25   11   75 o   72.809   13.175   40.960   12.521   0.0000   0.0000   40.960   12.521  ?   ?    72.809   13.175      ?      ? 
1 1 1  -25   11   76 o   91.034   11.389   61.308   14.049   0.0000   0.0000   61.308   14.049  ?   ?    91.034   11.389      ?      ? 
1 1 1  -25   11   77 o   36.139   14.675   6.8148   11.233   0.0000   0.0000   6.8148   11.233  ?   ?    36.139   14.675      ?      ? 
1 1 1  -25   12    1 o  242.637   4.7811  400.339   15.719  397.323   22.031  403.466   22.433  241.711   6.7260  243.563   6.7968 -1.852020 9.562161 
1 1 1  -25   12    2 o  134.852   4.8509  124.289   8.8031  107.729   12.471  140.737   12.428  125.821   7.3140  143.885   6.3741 -18.06406 9.701770 
1 1 1  -25   12    3 o  241.186   4.8019  395.605   15.694  396.862   22.213  394.351   22.178  241.569   6.7854  240.802   6.7964 0.7669067 9.603782 
1 1 1  -25   12    4 o  248.337   5.1869  423.112   16.049  428.605   19.299  410.792   28.901  251.186   5.6696  245.488   8.6875 5.698593 10.37388 
1 1 1  -25   12    5 f  112.757   6.2592   86.415   9.5641   86.415   9.5641   0.0000   0.0000  112.757   6.2592  ?   ?       ?      ? 
1 1 1  -25   12    6 o  126.081   4.9673  108.369   8.1505  109.003   10.210  107.256   13.532  126.659   5.9487  125.502   7.9566 1.156952 9.934516 
1 1 1  -25   12    7 o  197.711   4.9495  270.317   12.357  278.659   15.096  253.378   21.512  202.556   5.4997  192.865   8.2307 9.690170 9.899052 
1 1 1  -25   12    8 o  244.572   5.0959  400.625   15.522  391.268   18.491  422.946   28.559  240.000   5.6855  249.145   8.4587 -9.144852 10.19187 
1 1 1  -25   12    9 o  215.976   5.0625  322.461   13.776  331.872   16.790  303.073   24.099  221.043   5.6053  210.909   8.4318 10.13428 10.12493 
1 1 1  -25   12   10 o  219.538   5.4865  333.715   15.967  361.820   21.092  295.988   24.438  230.675   6.7475  208.400   8.6532 22.27548 10.97303 
1 1 1  -25   12   11 o  177.642   5.2780  212.781   12.564  202.415   16.414  227.447   19.523  172.510   7.0213  182.775   7.8822 -10.26497 10.55594 
1 1 1  -25   12   12 o  256.476   5.3312  457.957   17.069  475.545   20.701  420.596   30.171  264.580   5.7737  248.373   8.9639 16.20758 10.66240 
1 1 1  -25   12   13 o  251.044   5.6904  429.936   19.073  433.732   24.987  424.637   29.524  252.485   7.3031  249.603   8.7286 2.882004 11.38084 
1 1 1  -25   12   14 o  154.681   7.9659  162.917   16.698   0.0000   0.0000  162.917   16.698  ?   ?   154.681   7.9659      ?      ? 
1 1 1  -25   12   15 o  204.463   5.3398  285.469   14.513  289.582   18.856  279.491   22.734  206.367   6.7425  202.558   8.2821 3.809372 10.67962 
1 1 1  -25   12   16 o  217.459   5.0523  318.114   13.863  312.064   16.710  331.475   24.831  214.331   5.7532  220.588   8.3068 -6.257141 10.10458 
1 1 1  -25   12   17 f  230.213   5.2372  370.856   15.146  389.977   18.533  332.403   26.282  239.601   5.7078  220.825   8.7826 18.77658 10.47440 
1 1 1  -25   12   18 o  205.455   4.9952  283.848   13.047  277.845   15.824  296.588   23.055  202.235   5.7741  208.674   8.1528 -6.438950 9.990401 
1 1 1  -25   12   19 o  116.773   6.6092   92.712   10.459   92.712   10.459   0.0000   0.0000  116.773   6.6092  ?   ?       ?      ? 
1 1 1  -25   12   20 o  114.835   6.7137   89.672   10.448   89.672   10.448   0.0000   0.0000  114.835   6.7137  ?   ?       ?      ? 
1 1 1  -25   12   21 o  259.808   5.3463  459.855   17.331  460.497   20.800  458.397   31.342  260.336   5.8958  259.280   8.9202 1.056580 10.69255 
1 1 1  -25   12   22 o  251.346   5.2566  419.699   16.492  404.495   19.626  456.230   30.421  243.987   5.9358  258.705   8.6773 -14.71869 10.51327 
1 1 1  -25   12   23 o  148.035   5.1421  147.500   9.9831  142.917   12.531  155.464   16.518  144.995   6.3773  151.076   8.0682 -6.081848 10.28426 
1 1 1  -25   12   24 o  237.577   5.4902  403.592   16.338  443.254   20.243  329.473   27.673  255.414   5.8486  219.740   9.2932 35.67422 10.98045 
1 1 1  -25   12   25 f  298.561   5.6867  613.617   21.044  623.464   25.228  591.092   38.158  302.869   6.1467  294.253   9.5693 8.616089 11.37340 
1 1 1  -25   12   26 o  141.129   5.2861  134.935   9.7556  133.155   12.243  138.031   16.146  139.943   6.4559  142.315   8.3721 -2.372040 10.57215 
1 1 1  -25   12   27 o  241.268   5.3878  403.584   16.349  416.736   19.915  376.404   28.630  247.636   5.9346  234.900   8.9941 12.73595 10.77558 
1 1 1  -25   12   28 o  201.241   5.3520  286.039   13.637  308.481   16.944  244.762   22.979  213.062   5.8684  189.420   8.9520 23.64146 10.70406 
1 1 1  -25   12   29 o  207.066   5.7521  294.402   15.968  310.662   21.455  274.212   23.908  213.623   7.4115  200.508   8.7987 13.11526 11.50425 
1 1 1  -25   12   30 o  233.230   5.9312  375.820   18.411  403.434   24.432  339.537   28.006  243.433   7.4062  223.026   9.2663 20.40651 11.86240 
1 1 1  -25   12   31 o  212.952   7.5046  308.788   21.657  308.788   21.657   0.0000   0.0000  212.952   7.5046  ?   ?       ?      ? 
1 1 1  -25   12   32 f  123.920   6.0703  107.411   9.5185  112.813   11.718   96.933   16.319  128.775   6.7150  119.065   10.114 9.709747 12.14050 
1 1 1  -25   12   33 o  263.853   5.4204  451.465   17.617  422.472   20.647  529.080   33.782  249.280   6.1121  278.426   8.9535 -29.14583 10.84077 
1 1 1  -25   12   34 o  258.824   5.7697  484.300   18.502  537.469   22.820  382.295   31.608  281.178   5.9889  236.471   9.8635 44.70692 11.53933 
1 1 1  -25   12   35 o  248.185   5.9924  418.767   20.154  418.767   20.154   0.0000   0.0000  248.185   5.9924  ?   ?       ?      ? 
1 1 1  -25   12   36 o  193.231   5.2325  245.529   12.775  231.238   15.291  278.558   23.246  184.404   6.1191  202.058   8.4895 -17.65411 10.46493 
1 1 1  -25   12   37 o  161.073   5.3913  180.126   11.072  187.228   13.682  166.655   18.844  165.926   6.0849  156.220   8.9015 9.706207 10.78255 
1 1 1  -25   12   38 o  118.843   6.1404   96.234   9.8264   94.735   13.131   98.143   14.814  117.840   8.2229  119.846   9.1214 -2.006950 12.28075 
1 1 1  -25   12   39 o  122.104   5.5006  103.634   8.9211   87.424   13.285  116.946   12.039  113.146   8.6647  131.061   6.7786 -17.91556 11.00120 
1 1 1  -25   12   40 o  139.925   5.8265  133.645   10.916  133.712   14.377  133.554   16.775  140.045   7.5757  139.805   8.8544 0.2405243 11.65299 
1 1 1  -25   12   41 o   96.906   6.8791   65.047   8.9235   71.482   12.141   57.488   13.160  102.274   8.7600   91.537   10.609 10.73722 13.75814 
1 1 1  -25   12   42 o   98.676   6.7033   67.037   8.8996   70.638   12.101   62.794   13.134  101.651   8.7847   95.701   10.127 5.949623 13.40660 
1 1 1  -25   12   43 o   95.483   6.2077   62.251   7.9241   62.943   12.282   61.757   10.372   95.867   9.4537   95.100   8.0480 0.7676163 12.41546 
1 1 1  -25   12   44 o  117.080   7.0855   98.305   9.9266   84.675   18.456  103.852   11.775  110.741   12.299  123.419   7.0401 -12.67757 14.17106 
1 1 1  -25   12   45 o  106.886   7.3377   80.708   9.4453   73.572   17.666   83.565   11.177  103.123   12.641  110.650   7.4540 -7.527328 14.67546 
1 1 1  -25   12   46 o  119.698   5.5348   98.158   8.8792   96.090   13.520   99.727   11.774  118.507   8.4190  120.888   7.1872 -2.381470 11.06955 
1 1 1  -25   12   47 o  135.110   5.3798  123.786   9.7995  133.893   14.801  115.897   13.076  139.954   7.8041  130.266   7.4073 9.687500 10.75970 
1 1 1  -25   12   48 o  167.354   5.1087  190.357   11.541  201.486   17.261  181.361   15.520  171.719   7.4177  162.988   7.0266 8.731506 10.21742 
1 1 1  -25   12   49 o   88.332   6.7896   52.169   7.9462   70.670   12.311   38.958   10.403  101.470   8.9532   75.194   10.210 26.27610 13.57918 
1 1 1  -25   12   50 o   97.121   7.8236   64.266   9.9469   61.581   12.432   69.044   16.583   94.574   9.7000   99.667   12.278 -5.092323 15.64721 
1 1 1  -25   12   51 o  113.190   7.4222   92.033   10.155   80.458   18.632   96.924   12.112  107.385   12.804  118.995   7.5111 -11.61001 14.84435 
1 1 1  -25   12   52 o  118.425   7.9111  109.919   10.693   71.430   19.406  126.700   12.814  100.736   14.216  136.115   6.9468 -35.37862 15.82216 
1 1 1  -25   12   53 o  125.787   5.8994  112.251   9.7147   84.314   14.312  136.122   13.229  110.524   9.5555  141.050   6.9213 -30.52524 11.79875 
1 1 1  -25   12   54 o   99.040   6.3286   68.286   8.3330   63.781   12.853   71.552   10.945   96.009   9.8790  102.071   7.9128 -6.061653 12.65727 
1 1 1  -25   12   55 o  192.917   5.0802  254.082   13.228  267.014   19.782  243.622   17.791  197.269   7.4000  188.565   6.9624 8.703827 10.16048 
1 1 1  -25   12   56 o  150.800   5.3196  158.863   10.678  130.670   15.554  183.991   14.684  137.696   8.3357  163.905   6.6111 -26.20949 10.63914 
1 1 1  -25   12   57 o   64.113   8.6004   31.530   7.0165   20.616   10.869   39.329   9.1874   52.838   14.663   75.388   8.9930 -22.55036 17.20072 
1 1 1  -25   12   58 o  123.885   5.6841  107.996   9.3417   90.647   13.918  122.221   12.602  114.374   8.9796  133.397   6.9715 -19.02291 11.36813 
1 1 1  -25   12   59 o   96.070   7.3382   58.686   8.8244   80.674   16.828   50.347   10.363  106.967   11.609   85.173   8.9789 21.79413 14.67641 
1 1 1  -25   12   60 o  116.380   5.7165   93.103   8.9567   98.798   13.609   88.753   11.896  119.400   8.4111  113.360   7.7440 6.039917 11.43306 
1 1 1  -25   12   61 o  188.479   5.0529  243.691   12.863  260.123   19.165  230.221   17.352  194.168   7.2838  182.790   7.0052 11.37773 10.10576 
1 1 1  -25   12   62 o   82.947   6.7478   48.214   7.4990   47.971   11.471   48.395   9.9100   82.556   10.253   83.338   8.7750 -0.7816086 13.49555 
1 1 1  -25   12   63 o  122.315   5.5991  105.304   9.1448   90.195   13.408  118.449   12.505  113.689   8.7025  130.941   7.0473 -17.25117 11.19816 
1 1 1  -25   12   64 o  131.949   8.0163  121.168   14.334  121.168   14.334   0.0000   0.0000  131.949   8.0163  ?   ?       ?      ? 
1 1 1  -25   12   65 o  108.898   8.6036   83.037   12.696   83.037   12.696   0.0000   0.0000  108.898   8.6036  ?   ?       ?      ? 
1 1 1  -25   12   66 o   42.740   9.9622   13.178   7.1127   18.548   9.4562   6.1824   10.794   49.308   13.674   36.171   14.491 13.13659 19.92435 
1 1 1  -25   12   67 o   45.723   10.427   15.595   7.2709   14.496   9.5044   17.146   11.290   44.005   14.090   47.442   15.374 -3.437191 20.85358 
1 1 1  -25   12   68 o   92.963   7.1507   60.442   8.8515   54.735   11.320   69.420   14.199   87.724   9.5226   98.201   10.670 -10.47685 14.30141 
1 1 1  -25   12   69 o   60.238   9.5708   28.970   7.7650   34.808   10.147   20.719   12.063   69.366   10.794   51.109   15.808 18.25722 19.14168 
1 1 1  -25   12   70 o   53.090   10.020   23.157   7.6026   28.488   9.8098   15.140   12.030   61.233   12.250   44.947   15.860 16.28637 20.03976 
1 1 1  -25   12   71 o   46.742   10.346   15.901   8.5640   1.2619   12.653   28.277   11.634   33.840   14.734   59.644   14.528 -25.80387 20.69193 
1 1 1  -25   12   72 o   49.599   15.773   19.831   11.927   0.0000   0.0000   19.831   11.927  ?   ?    49.599   15.773      ?      ? 
1 1 1  -25   12   73 o  118.596   10.498  102.642   16.872   0.0000   0.0000  102.642   16.872  ?   ?   118.596   10.498      ?      ? 
1 1 1  -25   12   74 o   35.850   14.612   6.4650   11.188   0.0000   0.0000   6.4650   11.188  ?   ?    35.850   14.612      ?      ? 
1 1 1  -25   12   75 o   83.275   12.670   52.691   14.298   0.0000   0.0000   52.691   14.298  ?   ?    83.275   12.670      ?      ? 
1 1 1  -25   12   76 o   35.975   14.645   6.8489   11.222   0.0000   0.0000   6.8489   11.222  ?   ?    35.975   14.645      ?      ? 
1 1 1  -25   13    1 o  138.604   4.7519  130.646   8.9116  120.906   12.440  140.913   12.772  133.285   6.8875  143.922   6.5487 -10.63629 9.503845 
1 1 1  -25   13    2 o  165.496   4.6918  186.330   10.518  179.640   14.801  193.155   14.950  162.486   6.7221  168.505   6.5471 -6.019501 9.383560 
1 1 1  -25   13    3 o  169.293   7.0787  209.750   13.707  223.919   15.952  169.768   26.797  181.439   6.4879  157.148   12.583 24.29082 14.15741 
1 1 1  -25   13    4 o  228.792   5.0740  353.236   14.466  348.524   17.282  364.265   26.441  226.471   5.6312  231.113   8.4424 -4.641754 10.14809 
1 1 1  -25   13    5 o  192.004   4.8668  242.062   11.831  227.499   14.181  275.401   21.457  182.966   5.7195  201.042   7.8759 -18.07651 9.733605 
1 1 1  -25   13    6 o  228.351   5.0911  352.881   14.541  349.590   17.439  360.389   26.339  226.816   5.6736  229.887   8.4549 -3.070999 10.18211 
1 1 1  -25   13    7 o  136.736   5.0832  128.633   9.0031  132.118   11.277  122.507   14.950  139.416   5.9691  134.057   8.2297 5.359100 10.16649 
1 1 1  -25   13    8 o  248.506   5.3116  431.670   16.433  450.474   19.917  391.578   29.082  257.470   5.7085  239.542   8.9592 17.92870 10.62326 
1 1 1  -25   13    9 o  211.836   4.9892  300.224   13.324  291.667   16.014  319.478   24.021  207.176   5.7038  216.497   8.1875 -9.320892 9.978420 
1 1 1  -25   13   10 o  137.551   5.1478  132.080   9.1231  140.617   11.485  117.485   15.018  143.838   5.8923  131.263   8.4428 12.57451 10.29560 
1 1 1  -25   13   11 o  173.774   4.9640  206.332   11.047  208.079   13.594  202.936   18.954  174.987   5.7327  172.561   8.1056 2.426346 9.927963 
1 1 1  -25   13   12 o  166.824   5.5496  190.457   12.485  201.878   17.187  177.698   18.166  172.197   7.3654  161.451   8.3032 10.74576 11.09922 
1 1 1  -25   13   13 o  161.073   4.9812  174.965   10.377  171.325   12.818  181.889   17.678  158.764   5.9578  163.382   7.9847 -4.617706 9.962439 
1 1 1  -25   13   14 o  166.980   5.0558  191.709   10.864  196.166   13.491  183.488   18.322  169.893   5.8600  164.068   8.2406 5.824753 10.11170 
1 1 1  -25   13   15 o  136.840   5.0477  123.958   9.0400  114.895   11.227  140.670   15.245  129.984   6.3735  143.696   7.8291 -13.71147 10.09533 
1 1 1  -25   13   16 o  204.593   5.3563  300.593   13.755  334.633   17.158  239.375   23.010  221.911   5.7056  187.275   9.0668 34.63646 10.71261 
1 1 1  -25   13   17 o  245.654   5.8694  410.144   19.539  410.144   19.539   0.0000   0.0000  245.654   5.8694  ?   ?       ?      ? 
1 1 1  -25   13   18 f  150.359   6.2128  153.715   12.659  153.715   12.659   0.0000   0.0000  150.359   6.2128  ?   ?       ?      ? 
1 1 1  -25   13   19 f  226.034   5.2443  352.209   14.960  360.136   18.227  335.841   26.189  230.192   5.8430  221.876   8.7103 8.315872 10.48854 
1 1 1  -25   13   20 o  180.740   5.1509  224.802   11.935  230.074   14.764  214.857   20.277  183.979   5.9218  177.502   8.4296 6.476883 10.30178 
1 1 1  -25   13   21 o  222.992   5.3415  350.696   14.978  374.358   18.433  304.717   25.696  234.694   5.7958  211.291   8.9742 23.40340 10.68306 
1 1 1  -25   13   22 o  172.454   5.1284  202.153   11.372  201.428   14.013  203.551   19.465  172.133   6.0073  172.776   8.3135 -0.6430359 10.25683 
1 1 1  -25   13   23 o  174.903   5.1406  210.434   11.510  215.042   14.210  201.642   19.626  177.863   5.8954  171.944   8.4231 5.918747 10.28129 
1 1 1  -25   13   24 o  141.043   5.1258  132.229   9.4825  123.452   11.827  148.026   15.867  134.716   6.4784  147.370   7.9450 -12.65443 10.25152 
1 1 1  -25   13   25 o   79.957   6.4473   43.633   6.9182   43.464   9.1616   43.856   10.553   79.821   8.4698   80.094   9.7229 -0.2728806 12.89461 
1 1 1  -25   13   26 o  199.017   5.3529  281.409   13.447  306.501   16.719  235.453   22.627  212.342   5.8103  185.692   8.9919 26.64952 10.70583 
1 1 1  -25   13   27 o  314.348   6.2506  672.933   25.974  666.950   33.195  682.382   41.714  312.806   7.8309  315.890   9.7445 -3.083801 12.50114 
1 1 1  -25   13   28 o  305.394   6.1517  617.330   24.638  565.361   30.644  712.333   41.433  287.981   7.8524  322.808   9.4716 -34.82651 12.30331 
1 1 1  -25   13   29 o  137.100   5.7240  134.876   9.9781  152.922   12.686  105.597   16.159  149.937   6.2435  124.264   9.5957 25.67297 11.44809 
1 1 1  -25   13   30 o  272.043   5.5689  510.821   18.886  520.864   22.763  488.634   33.833  276.736   6.0698  267.350   9.3385 9.386139 11.13780 
1 1 1  -25   13   31 o  181.335   5.2806  225.494   12.291  228.544   15.184  219.695   20.935  183.299   6.1128  179.371   8.6125 3.927658 10.56130 
1 1 1  -25   13   32 o  223.758   5.6439  341.395   16.771  340.742   21.655  342.373   26.511  223.641   7.1454  223.875   8.7384 -0.2333069 11.28790 
1 1 1  -25   13   33 o  160.149   7.4435  174.837   16.154  174.837   16.154   0.0000   0.0000  160.149   7.4435  ?   ?       ?      ? 
1 1 1  -25   13   34 o  110.242   8.5021   83.016   12.702   83.016   12.702   0.0000   0.0000  110.242   8.5021  ?   ?       ?      ? 
1 1 1  -25   13   35 o  162.453   5.6885  180.346   12.418  181.669   16.559  178.648   18.771  163.215   7.4866  161.691   8.5667 1.523972 11.37704 
1 1 1  -25   13   36 o   85.204   6.7436   49.781   7.7218   50.192   10.306   49.255   11.660   85.666   8.8774   84.741   10.154 0.9252167 13.48713 
1 1 1  -25   13   37 o   69.018   13.060   33.979   11.768   33.979   11.768   0.0000   0.0000   69.018   13.060  ?   ?       ?      ? 
1 1 1  -25   13   38 o   77.627   9.1815   41.270   9.6585   41.270   9.6585   0.0000   0.0000   77.627   9.1815  ?   ?       ?      ? 
1 1 1  -25   13   39 o   60.278   8.8355   27.357   6.9882   34.598   9.1668   17.311   10.798   71.032   9.5232   49.524   14.885 21.50773 17.67099 
1 1 1  -25   13   40 o   88.229   6.5792   52.568   7.7082   49.575   9.8400   57.322   12.401   85.111   8.5315   91.348   10.018 -6.236916 13.15842 
1 1 1  -25   13   41 o   69.585   7.9708   34.216   7.1502   35.473   9.2694   32.369   11.236   71.888   9.5150   67.282   12.791 4.606529 15.94158 
1 1 1  -25   13   42 o  172.872   5.7341  191.800   13.008  147.728   16.249  270.455   21.708  146.923   8.1612  198.821   8.0569 -51.89706 11.46819 
1 1 1  -25   13   43 o  110.980   6.9491   80.539   9.4766   94.774   18.246   75.280   11.090  117.056   11.502  104.904   7.8009 12.15150 13.89811 
1 1 1  -25   13   44 o   82.916   6.7736   47.847   7.4604   44.086   11.488   50.589   9.8103   79.925   10.607   85.906   8.4270 -5.981804 13.54718 
1 1 1  -25   13   45 o  131.414   5.4602  121.448   9.4503   98.827   14.233  139.285   12.638  119.978   8.7539  142.850   6.5287 -22.87216 10.92040 
1 1 1  -25   13   46 o   48.633   9.1740   19.266   7.0799  -2.1769   14.255   26.287   8.1572   35.510   15.545   61.756   9.7472 -26.24634 18.34801 
1 1 1  -25   13   47 o   49.196   10.442   18.251   7.1730   10.095   15.071   20.639   8.1560   44.865   17.380   53.528   11.580 -8.662773 20.88467 
1 1 1  -25   13   48 o   91.111   8.0994   54.009   9.6667   40.757   12.077   77.643   16.127   76.518   11.647  105.704   11.259 -29.18654 16.19883 
1 1 1  -25   13   49 o   73.594   9.3693   38.109   8.8217   34.432   11.214   44.077   14.288   69.205   12.414   77.984   14.037 -8.778427 18.73852 
1 1 1  -25   13   50 o   85.514   6.7115   52.170   7.4688   43.450   11.718   58.137   9.6929   79.022   10.943   92.006   7.7742 -12.98470 13.42305 
1 1 1  -25   13   51 o  130.398   5.4076  117.727   9.4399  110.025   14.223  123.792   12.621  126.396   8.3037  134.401   6.9294 -8.004593 10.81512 
1 1 1  -25   13   52 o  106.728   5.7999   78.091   8.2776   80.924   12.885   76.100   10.801  108.237   8.7847  105.219   7.5753 3.017181 11.59978 
1 1 1  -25   13   53 o  154.365   5.1760  164.772   10.708  156.199   16.145  171.505   14.307  150.575   7.9121  158.156   6.6756 -7.581100 10.35202 
1 1 1  -25   13   54 o  119.435   5.6562   99.778   8.9844   89.808   13.664  107.371   11.924  113.865   8.8555  125.005   7.0393 -11.14067 11.31244 
1 1 1  -25   13   55 o  146.960   5.2539  150.812   10.314  130.452   15.186  168.243   14.051  137.379   8.1572  156.541   6.6238 -19.16183 10.50781 
1 1 1  -25   13   56 o  122.733   5.5334  104.517   9.1124  100.624   13.736  107.577   12.178  120.499   8.4121  124.968   7.1910 -4.468758 11.06679 
1 1 1  -25   13   57 o  186.287   6.3179  246.674   14.532  228.476   26.146  254.808   17.480  180.126   10.711  192.449   6.7027 -12.32294 12.63572 
1 1 1  -25   13   58 o   70.189   9.0656   32.979   7.6322   43.322   14.884   29.289   8.8901   75.834   15.014   64.543   10.164 11.29070 18.13126 
1 1 1  -25   13   59 o  117.752   5.6373   97.908   8.8103   85.724   13.336  107.346   11.736  110.797   8.8819  124.707   6.9448 -13.91013 11.27468 
1 1 1  -25   13   60 o  111.608   5.6814   87.330   8.4726   81.945   12.862   91.458   11.261  108.269   8.7664  114.947   7.2293 -6.678612 11.36274 
1 1 1  -25   13   61 o  140.139   6.2589  140.684   11.585  157.725   15.445  118.763   17.516  150.689   7.5633  129.589   9.9746 21.09958 12.51780 
1 1 1  -25   13   62 o  139.241   6.1152  132.645   11.328  119.599   14.451  153.442   18.245  130.840   8.1500  147.641   9.1193 -16.80048 12.23048 
1 1 1  -25   13   63 o   47.885   14.227   17.521   9.9062   17.521   9.9062   0.0000   0.0000   47.885   14.227  ?   ?       ?      ? 
1 1 1  -25   13   64 o   67.725   8.6177   33.459   7.6660   26.751   10.249   41.978   11.550   59.218   13.117   76.232   11.180 -17.01374 17.23543 
1 1 1  -25   13   65 o   88.230   7.4878   57.609   8.6332   64.758   11.352   47.805   13.295   95.733   8.7508   80.727   12.153 15.00526 14.97561 
1 1 1  -25   13   66 o   50.381   10.028   20.504   8.3763   3.7037   13.233   31.735   10.820   36.264   15.416   64.498   12.830 -28.23344 20.05661 
1 1 1  -25   13   67 o   53.280   10.020   22.611   7.4648   26.520   10.229   18.158   10.918   58.517   13.212   48.042   15.069 10.47509 20.04067 
1 1 1  -25   13   68 o   79.083   9.5566   48.507   9.7603   43.812   14.961   51.986   12.878   73.974   15.424   84.192   11.288 -10.21886 19.11327 
1 1 1  -25   13   69 o   37.652   10.491   8.2713   7.9877   3.8708   12.660   11.182   10.295   35.460   15.076   39.844   14.592 -4.383873 20.98170 
1 1 1  -25   13   70 o   56.552   15.367   26.150   12.084   0.0000   0.0000   26.150   12.084  ?   ?    56.552   15.367      ?      ? 
1 1 1  -25   13   71 o   38.845   15.028   9.8249   11.257   0.0000   0.0000   9.8249   11.257  ?   ?    38.845   15.028      ?      ? 
1 1 1  -25   13   72 o  104.234   11.313   80.732   15.979   0.0000   0.0000   80.732   15.979  ?   ?   104.234   11.313      ?      ? 
1 1 1  -25   13   73 o   31.276   13.776   0.2852   11.349   0.0000   0.0000   0.2852   11.349  ?   ?    31.276   13.776      ?      ? 
1 1 1  -25   13   74 o   56.465   16.266   27.232   13.124   0.0000   0.0000   27.232   13.124  ?   ?    56.465   16.266      ?      ? 
1 1 1  -25   14    1 o  171.670   7.4137  202.155   16.494  201.924   20.528  202.576   27.707  171.851   8.8147  171.488   11.923 0.3626862 14.82734 
1 1 1  -25   14    2 o  270.083   5.8960  493.816   20.723  513.906   34.819  482.796   25.789  274.015   9.3769  266.151   7.1502 7.863464 11.79196 
1 1 1  -25   14    3 o  244.864   5.8042  409.606   18.511  408.538   30.727  410.214   23.192  244.355   9.2794  245.374   6.9748 -1.019653 11.60842 
1 1 1  -25   14    4 o  171.051   6.2334  201.485   14.338  180.945   20.841  219.942   19.756  162.600   9.4584  179.502   8.1215 -16.90280 12.46677 
1 1 1  -25   14    5 f  169.635   5.3715  196.524   12.138  197.855   15.810  194.613   18.943  170.438   6.8451  168.832   8.2798 1.605453 10.74294 
1 1 1  -25   14    6 o  240.967   5.5977  399.245   17.747  409.753   22.710  382.764   28.442  245.283   6.8323  236.651   8.8688 8.631287 11.19536 
1 1 1  -25   14    7 o  173.342   5.0392  202.629   11.163  198.545   13.613  211.012   19.504  170.856   5.8797  175.827   8.1857 -4.970963 10.07849 
1 1 1  -25   14    8 o  163.375   5.1161  183.869   10.695  188.136   13.204  175.726   18.238  166.322   5.8582  160.428   8.3891 5.893372 10.23213 
1 1 1  -25   14    9 f  179.145   5.2133  226.213   11.843  242.521   14.707  196.124   19.976  188.852   5.7466  169.438   8.7001 19.41382 10.42660 
1 1 1  -25   14   10 o  279.770   5.9614  533.168   22.174  528.030   28.644  540.851   35.027  278.293   7.5955  281.247   9.1904 -2.953888 11.92289 
1 1 1  -25   14   11 o  139.481   5.4419  137.163   9.7744  149.770   12.409  116.558   15.865  148.370   6.1720  130.593   8.9646 17.77698 10.88384 
1 1 1  -25   14   12 o  227.045   5.1558  337.806   14.694  317.374   17.482  386.980   27.120  216.011   5.9721  238.078   8.4060 -22.06743 10.31151 
1 1 1  -25   14   13 o  232.147   5.4010  380.599   15.783  406.924   19.454  329.900   26.997  244.611   5.8687  219.684   9.0686 24.92683 10.80191 
1 1 1  -25   14   14 o  140.314   5.5557  133.465   10.495  127.529   13.942  141.227   15.942  136.775   7.5223  143.854   8.1779 -7.078751 11.11138 
1 1 1  -25   14   15 o  292.592   7.3041  583.414   28.961  583.414   28.961   0.0000   0.0000  292.592   7.3041  ?   ?       ?      ? 
1 1 1  -25   14   16 o  173.599   7.0904  205.311   16.680  205.311   16.680   0.0000   0.0000  173.599   7.0904  ?   ?       ?      ? 
1 1 1  -25   14   17 f  168.465   5.4305  188.836   12.200  168.696   15.644  220.095   19.489  157.327   7.3375  179.604   8.0075 -22.27621 10.86092 
1 1 1  -25   14   18 o  162.441   5.7136  183.750   12.309  206.484   16.526  155.423   18.448  174.100   7.0048  150.781   9.0285 23.31949 11.42719 
1 1 1  -25   14   19 o  242.722   5.6518  395.151   18.088  374.021   22.799  431.034   29.711  234.281   7.1813  251.164   8.7294 -16.88293 11.30366 
1 1 1  -25   14   20 o  165.489   5.6726  188.878   12.546  201.758   16.786  172.578   18.883  172.063   7.1989  158.914   8.7686 13.14923 11.34517 
1 1 1  -25   14   21 o  170.992   5.5834  199.274   12.782  198.042   16.800  200.967   19.697  170.456   7.2729  171.529   8.4737 -1.072906 11.16683 
1 1 1  -25   14   22 o  250.290   5.7460  427.134   19.001  425.313   24.287  430.007   30.508  249.809   7.1743  250.770   8.9776 -0.9613800 11.49204 
1 1 1  -25   14   23 o  262.429   5.8222  466.532   20.123  454.809   25.461  486.041   32.846  258.295   7.2740  266.562   9.0928 -8.266632 11.64438 
1 1 1  -25   14   24 o  165.879   5.5709  182.863   12.331  160.654   15.836  217.063   19.652  153.462   7.6149  178.296   8.1334 -24.83412 11.14175 
1 1 1  -25   14   25 o  132.024   6.1036  119.253   10.840  101.132   15.082  138.620   15.591  121.567   9.1549  142.482   8.0750 -20.91528 12.20724 
1 1 1  -25   14   26 f  164.117   5.8214  183.040   12.909  171.746   17.456  196.670   19.176  158.577   8.1231  169.657   8.3409 -11.08046 11.64285 
1 1 1  -25   14   27 f  231.941   5.3802  366.939   15.682  366.652   18.923  367.568   28.021  232.104   6.0163  231.777   8.9212 0.3269958 10.76032 
1 1 1  -25   14   28 o  166.632   5.3077  190.397   11.343  192.399   13.989  186.553   19.380  168.111   6.1406  165.152   8.6592 2.959320 10.61548 
1 1 1  -25   14   29 o  123.186   5.5937  103.828   9.0388  104.374   11.448  102.924   14.728  123.742   6.8271  122.630   8.8627 1.112732 11.18738 
1 1 1  -25   14   30 o   99.216   5.9240   66.549   7.8417   63.194   10.125   71.577   12.395   96.192   7.7677  102.241   8.9465 -6.049393 11.84805 
1 1 1  -25   14   31 o   74.106   9.1937   37.637   9.2326   37.637   9.2326   0.0000   0.0000   74.106   9.1937  ?   ?       ?      ? 
1 1 1  -25   14   32 o   42.124   13.110   12.272   8.2828   12.272   8.2828   0.0000   0.0000   42.124   13.110  ?   ?       ?      ? 
1 1 1  -25   14   33 o  127.755   5.4145  108.128   9.0894   98.646   11.335  125.208   15.213  120.242   6.9564  135.269   8.2991 -15.02687 10.82898 
1 1 1  -25   14   34 o  103.325   5.8982   70.097   8.0636   59.812   10.149   87.701   13.278   93.510   8.0094  113.141   8.6604 -19.63091 11.79632 
1 1 1  -25   14   35 o   82.132   6.7437   46.135   7.4103   45.065   9.6861   47.645   11.507   81.071   8.8165   83.193   10.207 -2.121628 13.48740 
1 1 1  -25   14   36 o   64.086   8.1564   28.266   6.8512   22.029   9.0534   36.624   10.481   55.302   12.388   72.871   10.613 -17.56887 16.31281 
1 1 1  -25   14   37 o   97.037   6.6660   68.507   8.2229   80.359   10.614   50.717   13.004  108.438   7.2232   85.635   11.206 22.80334 13.33206 
1 1 1  -25   14   38 o  138.904   5.4892  129.190   9.9363  122.098   12.306  142.480   16.844  133.712   6.7912  144.096   8.6259 -10.38457 10.97849 
1 1 1  -25   14   39 o   94.885   7.1624   62.595   9.0626   49.578   12.721   76.011   12.914   84.619   11.093  105.150   9.0631 -20.53151 14.32487 
1 1 1  -25   14   40 o  111.382   6.7167   85.590   9.8922   62.679   13.558  111.668   14.465   95.211   10.508  127.553   8.3686 -32.34158 13.43346 
1 1 1  -25   14   41 o   88.130   11.125   68.283   11.039   32.023   20.123   83.894   13.204   65.815   20.427  110.446   8.8220 -44.63070 22.25035 
1 1 1  -25   14   42 o  182.736   5.3116  211.042   12.396  179.674   14.822  284.055   22.613  162.098   6.7475  203.373   8.2051 -41.27444 10.62318 
1 1 1  -25   14   43 o   69.635   8.0965   33.289   7.5547   30.772   9.8399   36.903   11.791   66.560   10.909   72.709   11.967 -6.148712 16.19291 
1 1 1  -25   14   44 o   93.171   10.383   60.221   13.109   60.221   13.109   0.0000   0.0000   93.171   10.383  ?   ?       ?      ? 
1 1 1  -25   14   45 o  158.020   8.0117  171.710   17.156  171.710   17.156   0.0000   0.0000  158.020   8.0117  ?   ?       ?      ? 
1 1 1  -25   14   46 o  116.810   8.5949   94.117   13.605   94.117   13.605   0.0000   0.0000  116.810   8.5949  ?   ?       ?      ? 
1 1 1  -25   14   47 o   92.230   7.6542   56.583   9.3016   47.984   11.610   71.996   15.543   83.028   10.319  101.432   11.308 -18.40406 15.30836 
1 1 1  -25   14   48 o  114.827   5.6677   93.996   8.5090   71.937   12.707  111.929   11.457  101.880   9.2037  127.774   6.6169 -25.89436 11.33537 
1 1 1  -25   14   49 o   41.861   9.3775   12.525   5.9653   10.194   9.5783   14.001   7.6244   39.854   14.142   43.869   12.319 -4.015171 18.75493 
1 1 1  -25   14   50 o   41.177   9.2072   12.214   5.8688   8.1058   9.4503   14.794   7.4877   37.385   13.928   44.969   12.045 -7.583710 18.41437 
1 1 1  -25   14   51 o   88.969   6.1571   53.596   7.3056   62.509   11.666   47.845   9.3706   94.816   9.0793   83.123   8.3189 11.69268 12.31411 
1 1 1  -25   14   52 o   85.368   6.3655   51.761   7.1228   45.972   11.226   55.661   9.2152   80.960   10.232   89.775   7.5747 -8.815033 12.73098 
1 1 1  -25   14   53 o   44.698   9.2986   14.321   5.8932   16.674   9.4916   12.844   7.5178   47.429   13.882   41.968   12.375 5.461052 18.59719 
1 1 1  -25   14   54 o  111.627   5.6002   86.225   8.3680   87.656   12.919   85.190   10.984  112.231   8.4943  111.024   7.3004 1.206963 11.20042 
1 1 1  -25   14   55 o  127.956   6.6381  112.198   10.401  121.085   19.722  108.774   12.241  130.496   11.153  125.417   7.2026 5.078316 13.27627 
1 1 1  -25   14   56 o  116.110   7.1237   98.833   9.9327   86.827   18.356  103.803   11.811  109.742   12.343  122.477   7.1164 -12.73547 14.24745 
1 1 1  -25   14   57 o   81.771   7.6825   46.890   8.4047   37.763   11.189   58.707   12.732   72.594   11.374   90.948   10.330 -18.35407 15.36501 
1 1 1  -25   14   58 o   81.119   7.7428   47.587   8.4009   51.582   11.368   42.780   12.470   85.330   9.8310   76.907   11.965 8.422424 15.48564 
1 1 1  -25   14   59 f   52.651   10.141   21.448   7.4346   22.311   10.281   20.502   10.764   53.829   13.972   51.473   14.701 2.355999 20.28164 
1 1 1  -25   14   60 o  140.144   6.2467  138.924   11.664  140.749   15.247  136.350   18.111  141.792   7.9352  138.497   9.6497 3.294891 12.49338 
1 1 1  -25   14   61 o   61.371   17.656   30.977   15.473   30.977   15.473   0.0000   0.0000   61.371   17.656  ?   ?       ?      ? 
1 1 1  -25   14   62 o   36.006   10.259   6.2176   7.8045   1.0150   12.715   9.3623   9.8857   33.970   14.780   38.042   14.231 -4.071465 20.51812 
1 1 1  -25   14   63 o   70.550   8.6801   37.734   7.9012   39.875   10.329   34.714   12.268   74.364   10.249   66.736   14.012 7.628197 17.36015 
1 1 1  -25   14   64 o   62.555   8.9279   28.174   7.6420   12.468   9.9244   51.052   11.978   41.225   14.415   83.884   10.537 -42.65925 17.85588 
1 1 1  -25   14   65 o   63.663   10.395   34.953   9.2376   18.887   14.844   45.108   11.801   48.878   17.577   78.448   11.101 -29.56953 20.78931 
1 1 1  -25   14   66 o   67.645   10.316   39.039   9.4658   21.815   14.561   51.645   12.457   51.384   17.483   83.906   10.956 -32.52137 20.63177 
1 1 1  -25   14   67 o  116.117   8.6048  104.150   12.649   65.651   17.974  141.920   17.803   91.831   14.444  140.403   9.3569 -48.57229 17.20961 
1 1 1  -25   14   68 o   53.622   15.870   23.894   12.344   0.0000   0.0000   23.894   12.344  ?   ?    53.622   15.870      ?      ? 
1 1 1  -25   14   69 o  103.805   11.277   80.113   15.864   0.0000   0.0000   80.113   15.864  ?   ?   103.805   11.277      ?      ? 
1 1 1  -25   14   70 o   61.799   15.369   31.700   12.817   0.0000   0.0000   31.700   12.817  ?   ?    61.799   15.369      ?      ? 
1 1 1  -25   14   71 o   67.636   15.131   37.784   13.522   0.0000   0.0000   37.784   13.522  ?   ?    67.636   15.131      ?      ? 
1 1 1  -25   14   72 o   67.143   15.879   38.203   14.221   0.0000   0.0000   38.203   14.221  ?   ?    67.143   15.879      ?      ? 
1 1 1  -25   15    1 o  165.490   4.9055  186.720   10.992  176.780   15.248  197.476   15.860  160.901   6.9930  170.079   6.8814 -9.178589 9.810989 
1 1 1  -25   15    2 o  204.469   4.8715  285.446   13.492  288.055   18.856  282.708   19.314  205.452   6.7725  203.486   7.0043 1.965881 9.743019 
1 1 1  -25   15    3 o   76.295   7.2023   41.470   7.0247   30.458   10.038   52.040   9.8341   65.416   11.756   87.174   8.3246 -21.75790 14.40460 
1 1 1  -25   15    4 o   76.904   7.1690   40.058   7.3886   32.727   9.8415   49.528   11.185   68.920   10.537   84.889   9.7232 -15.96865 14.33801 
1 1 1  -25   15    5 o  116.717   5.4784   94.517   8.1612   97.465   10.075   88.892   13.919  119.589   6.2166  113.846   9.0224 5.743172 10.95675 
1 1 1  -25   15    6 o  115.174   5.4009   89.651   8.0271   87.436   9.8824   93.946   13.762  113.249   6.4394  117.098   8.6725 -3.848793 10.80175 
1 1 1  -25   15    7 o  100.386   6.3046   69.217   8.5554   74.304   12.048   64.042   12.151  104.163   8.5353   96.609   9.2813 7.553543 12.60926 
1 1 1  -25   15    8 o  117.458   5.9809   94.726   9.4889   98.961   13.101   90.053   13.762  120.286   8.0371  114.630   8.8595 5.656319 11.96186 
1 1 1  -25   15    9 o  103.253   5.5760   72.135   7.6055   69.638   9.6529   76.221   12.351  101.015   7.0517  105.492   8.6395 -4.477646 11.15197 
1 1 1  -25   15   10 o   83.713   6.1216   48.319   6.7629   49.487   8.6942   46.528   10.762   85.112   7.5380   82.314   9.6476 2.798141 12.24327 
1 1 1  -25   15   11 o  107.701   5.4880   78.283   7.7073   75.746   9.5949   82.896   12.940  105.389   6.7184  110.013   8.6796 -4.624207 10.97599 
1 1 1  -25   15   12 o  106.280   5.4479   73.800   7.6139   64.104   9.4723   91.502   12.799   96.905   7.2132  115.655   8.1664 -18.74973 10.89584 
1 1 1  -25   15   13 o  121.567   6.3858  100.723   10.520  100.723   10.520   0.0000   0.0000  121.567   6.3858  ?   ?       ?      ? 
1 1 1  -25   15   14 f  120.346   6.4072   98.714   10.449   98.714   10.449   0.0000   0.0000  120.346   6.4072  ?   ?       ?      ? 
1 1 1  -25   15   15 o   87.884   6.2787   53.170   7.2105   53.867   9.1031   51.996   11.813   88.796   7.5650   86.971   10.023 1.825089 12.55736 
1 1 1  -25   15   16 o  112.571   5.6578   87.504   8.2224   89.557   10.252   83.803   13.767  114.605   6.6010  110.536   9.1907 4.068565 11.31559 
1 1 1  -25   15   17 o  111.157   5.8610   87.875   8.3050   96.090   10.441   73.724   13.703  118.722   6.4897  103.592   9.7616 15.12977 11.72197 
1 1 1  -25   15   18 o  106.402   5.5707   75.586   7.8014   70.249   9.7776   84.934   12.942  101.446   7.1124  111.359   8.5759 -9.913742 11.14147 
1 1 1  -25   15   19 o  115.573   5.5760   91.906   8.3617   93.367   10.466   89.329   13.903  117.009   6.6006  114.137   8.9888 2.871399 11.15196 
1 1 1  -25   15   20 o  106.129   5.9571   79.006   8.1239   83.688   10.185   70.814   13.470  110.754   6.7857  101.503   9.7931 9.251228 11.91430 
1 1 1  -25   15   21 o   79.357   6.4472   41.910   6.8057   36.746   8.6694   50.202   10.986   73.219   8.7374   85.494   9.4828 -12.27514 12.89443 
1 1 1  -25   15   22 f   71.979   7.1460   35.567   6.8618   35.151   8.9288   36.168   10.724   71.561   9.2073   72.397   10.931 -0.8368149 14.29208 
1 1 1  -25   15   23 o  198.217   5.8419  272.868   15.456  301.384   20.906  238.498   22.952  210.019   7.3458  186.415   9.0857 23.60420 11.68379 
1 1 1  -25   15   24 o  161.993   5.8366  179.460   12.746  177.119   17.126  182.367   19.084  160.892   7.8550  163.094   8.6349 -2.201157 11.67316 
1 1 1  -25   15   25 o  155.443   5.3197  163.775   10.614  160.787   13.010  169.719   18.354  153.561   6.2518  157.326   8.6087 -3.765045 10.63933 
1 1 1  -25   15   26 f  128.846   5.4787  109.863   9.2023  100.859   11.351  127.127   15.718  121.530   6.8925  136.162   8.5182 -14.63226 10.95742 
1 1 1  -25   15   27 o  111.610   5.8979   87.013   8.5718   91.936   10.909   79.068   13.858  116.014   6.9390  107.206   9.5388 8.808113 11.79573 
1 1 1  -25   15   28 f  103.288   6.6214   73.985   9.1760   84.315   12.832   63.176   13.126  110.856   8.5421   95.719   10.119 15.13701 13.24277 
1 1 1  -25   15   29 o   86.041   10.041   51.054   11.707   51.054   11.707   0.0000   0.0000   86.041   10.041  ?   ?       ?      ? 
1 1 1  -25   15   30 o  101.834   6.7727   71.144   9.3202   67.745   12.621   75.220   13.822   99.202   9.3885  104.465   9.7638 -5.262962 13.54530 
1 1 1  -25   15   31 o  190.270   5.7360  246.329   14.605  236.427   19.040  260.488   22.767  185.812   7.5614  194.728   8.6275 -8.916611 11.47207 
1 1 1  -25   15   32 o  118.515   6.3296   96.559   10.156   90.857   14.173  102.579   14.561  114.890   9.1031  122.140   8.7972 -7.249603 12.65929 
1 1 1  -25   15   33 o   70.478   7.9795   35.701   7.2594   39.793   9.7031   30.498   10.941   75.971   9.4249   64.984   12.879 10.98700 15.95908 
1 1 1  -25   15   34 o  129.094   5.9599  119.732   9.8201  133.930   12.474   96.589   15.926  139.977   6.5760  118.211   9.9416 21.76657 11.91972 
1 1 1  -25   15   35 o  167.496   5.2934  184.047   11.366  168.463   13.738  217.863   20.236  156.992   6.4574  178.001   8.3894 -21.00851 10.58680 
1 1 1  -25   15   36 o   37.030   8.6946   5.3915   6.1774  -5.4323   8.4560   17.779   9.0461   24.634   11.273   49.426   13.240 -24.79258 17.38911 
1 1 1  -25   15   37 o  135.326   5.5665  125.096   9.7904  123.287   12.188  128.387   16.437  134.212   6.7014  136.440   8.8901 -2.228027 11.13301 
1 1 1  -25   15   38 o  173.678   5.2642  195.583   11.705  174.665   14.085  242.274   21.043  159.765   6.5057  187.592   8.2778 -27.82761 10.52839 
1 1 1  -25   15   39 o   97.374   7.0435   65.989   9.2499   73.259   13.083   58.723   13.080  102.882   9.3840   91.867   10.507 11.01491 14.08708 
1 1 1  -25   15   40 o  101.387   6.1841   69.266   8.2679   63.959   10.389   78.434   13.655   96.387   7.9535  106.386   9.4716 -9.999741 12.36814 
1 1 1  -25   15   41 o  137.248   5.8527  135.434   10.206  148.944   12.826  112.115   16.851  147.462   6.4186  127.034   9.7887 20.42864 11.70543 
1 1 1  -25   15   42 o   82.879   6.7913   45.480   7.4434   37.051   9.3866   59.760   12.217   73.046   9.4826   92.711   9.7245 -19.66452 13.58254 
1 1 1  -25   15   43 o   51.860   9.4481   19.032   6.6705   14.541   8.6374   25.669   10.500   44.768   13.281   58.952   13.442 -14.18410 18.89622 
1 1 1  -25   15   44 o  117.498   7.1927   95.005   11.453   95.005   11.453   0.0000   0.0000  117.498   7.1927  ?   ?       ?      ? 
1 1 1  -25   15   45 o   79.615   8.7603   43.991   9.4515   43.991   9.4515   0.0000   0.0000   79.615   8.7603  ?   ?       ?      ? 
1 1 1  -25   15   46 o   50.584   9.5732   19.128   6.6542   19.996   8.7094   17.910   10.314   52.010   12.510   49.159   14.494 2.850666 19.14632 
1 1 1  -25   15   47 f   96.109   6.4711   63.292   8.1952   59.845   10.324   69.164   13.476   92.901   8.2002   99.317   10.013 -6.415848 12.94213 
1 1 1  -25   15   48 o  106.536   6.1535   77.181   8.5666   72.402   10.641   85.984   14.442  102.276   7.6775  110.795   9.6186 -8.518951 12.30699 
1 1 1  -25   15   49 o   64.584   8.3657   29.070   7.0373   20.729   9.1147   41.380   11.073   52.675   12.877   76.493   10.683 -23.81808 16.73132 
1 1 1  -25   15   50 o   58.201   9.7004   25.668   7.5171   27.027   10.227   24.071   11.086   60.163   12.929   56.240   14.464 3.922287 19.40072 
1 1 1  -25   15   51 o   72.558   10.279   40.066   9.7520   35.972   15.056   43.025   12.800   67.835   16.530   77.280   12.222 -9.445427 20.55790 
1 1 1  -25   15   52 o   65.923   16.654   34.232   14.883   34.232   14.883   0.0000   0.0000   65.923   16.654  ?   ?       ?      ? 
1 1 1  -25   15   53 o   75.796   15.796   44.649   15.699   44.649   15.699   0.0000   0.0000   75.796   15.796  ?   ?       ?      ? 
1 1 1  -25   15   54 o   86.272   9.4008   51.433   10.318   77.896   17.205   36.571   12.894  103.450   12.272   69.094   14.244 34.35548 18.80165 
1 1 1  -25   15   55 o  108.146   6.6147   81.061   9.5862   70.527   12.490   96.162   14.954   99.841   9.2315  116.451   9.4761 -16.60909 13.22939 
1 1 1  -25   15   56 o   35.273   9.7689   6.5693   6.7809   5.1279   9.1779   8.3018   10.062   33.300   13.355   37.247   14.261 -3.946369 19.53777 
1 1 1  -25   15   57 o   82.013   9.7569   54.988   9.8449   32.376   14.818   72.855   13.172   62.962   16.979  101.065   9.6178 -38.10262 19.51373 
1 1 1  -25   15   58 o   61.123   8.7644   26.926   7.4695   10.307   9.8023   49.937   11.535   38.945   14.242   83.300   10.218 -44.35504 17.52890 
1 1 1  -25   15   59 o   70.973   10.763   36.581   10.352   36.581   10.352   0.0000   0.0000   70.973   10.763  ?   ?       ?      ? 
1 1 1  -25   15   60 o  117.511   6.4492   94.470   10.039   79.298   12.675  120.009   16.445  105.547   8.8614  129.475   9.3724 -23.92784 12.89835 
1 1 1  -25   15   61 o   61.920   9.9567   32.468   9.2539   10.709   13.940   49.611   12.374   41.588   16.532   82.252   11.101 -40.66362 19.91343 
1 1 1  -25   15   62 o   68.931   10.539   38.024   9.4482   38.508   14.672   37.681   12.350   68.440   16.091   69.421   13.614 -0.9808197 21.07707 
1 1 1  -25   15   63 o   59.532   11.070   30.430   9.3175   21.358   14.671   36.563   12.062   50.758   17.540   68.305   13.510 -17.54648 22.13968 
1 1 1  -25   15   64 o   65.413   9.6812   37.576   9.6247   7.4060   14.478   61.470   12.884   39.145   16.351   91.682   10.370 -52.53701 19.36240 
1 1 1  -25   15   65 o   53.979   10.533   20.943   8.9262   41.510   14.015   6.9071   11.578   71.548   14.938   36.411   14.855 35.13707 21.06675 
1 1 1  -25   15   66 o   59.406   14.779   28.932   11.849   0.0000   0.0000   28.932   11.849  ?   ?    59.406   14.779      ?      ? 
1 1 1  -25   15   67 o   56.073   15.654   26.482   12.349   0.0000   0.0000   26.482   12.349  ?   ?    56.073   15.654      ?      ? 
1 1 1  -25   15   68 o   72.430   14.273   42.502   13.511   0.0000   0.0000   42.502   13.511  ?   ?    72.430   14.273      ?      ? 
1 1 1  -25   15   69 o   57.055   16.539   28.468   13.531   0.0000   0.0000   28.468   13.531  ?   ?    57.055   16.539      ?      ? 
1 1 1  -25   15   70 o   58.531   17.091   30.733   14.403   0.0000   0.0000   30.733   14.403  ?   ?    58.531   17.091      ?      ? 
1 1 1  -25   16    1 o   99.020   5.6744   67.314   7.5983   61.479   10.566   73.564   10.935   94.542   8.2469  103.499   7.7965 -8.957153 11.34886 
1 1 1  -25   16    2 o   46.487   9.1109   15.729   5.9744   13.502   8.7844   17.646   8.1494   43.692   13.486   49.283   12.254 -5.590950 18.22179 
1 1 1  -25   16    3 o   64.105   7.9266   29.721   6.5803   22.599   9.5054   36.274   9.1185   55.713   12.852   72.497   9.2816 -16.78374 15.85314 
1 1 1  -25   16    4 o   96.555   6.4706   64.738   8.3778   67.979   11.251   60.704   12.552   99.428   8.3500   93.682   9.8870 5.745987 12.94119 
1 1 1  -25   16    5 o   88.465   6.8889   54.163   8.2405   55.468   11.373   52.720   11.956   89.655   9.3611   87.276   10.109 2.379631 13.77778 
1 1 1  -25   16    6 o   84.665   6.5868   51.338   7.1154   56.148   8.9601   43.127   11.707   90.530   7.3036   78.801   10.964 11.72898 13.17351 
1 1 1  -25   16    7 o   74.350   6.5658   36.339   6.4365   30.720   8.0448   46.335   10.729   66.791   8.8882   81.909   9.6663 -15.11746 13.13152 
1 1 1  -25   16    8 o  123.968   5.5121  107.148   8.6542  110.536   10.609  100.410   14.962  127.232   6.1530  120.704   9.1473 6.528244 11.02420 
1 1 1  -25   16    9 o  117.872   5.3694   91.844   8.2143   84.218   10.073  106.982   14.192  110.981   6.6979  124.762   8.3940 -13.78125 10.73873 
1 1 1  -25   16   10 o   47.405   8.9307   15.624   5.8257   12.146   7.5601   20.708   9.1406   41.435   12.456   53.375   12.802 -11.94013 17.86149 
1 1 1  -25   16   11 o   76.388   8.2023   40.074   8.4907   40.074   8.4907   0.0000   0.0000   76.388   8.2023  ?   ?       ?      ? 
1 1 1  -25   16   12 f   70.781   7.6390   36.546   6.7539   40.372   8.6110   30.430   10.887   76.661   8.2889   64.901   12.834 11.75980 15.27790 
1 1 1  -25   16   13 o   76.447   6.9862   41.214   6.8990   43.462   8.6930   37.387   11.340   79.570   8.0619   73.324   11.412 6.245598 13.97250 
1 1 1  -25   16   14 f   84.825   6.7453   51.359   7.2501   55.147   9.0104   44.402   12.210   89.719   7.4109   79.931   11.273 9.788521 13.49063 
1 1 1  -25   16   15 o   52.273   8.9582   20.551   6.2781   23.837   8.0769   15.537   9.9788   57.779   10.710   46.768   14.363 11.01165 17.91644 
1 1 1  -25   16   16 o  124.669   5.7006  109.752   8.9928  116.078   11.101   97.676   15.338  130.364   6.2839  118.973   9.5132 11.39104 11.40120 
1 1 1  -25   16   17 o  108.669   6.0403   83.906   8.3374   89.995   10.378   72.826   14.001  114.725   6.6754  102.612   10.069 12.11259 12.08064 
1 1 1  -25   16   18 o   47.219   10.114   15.774   7.0526   18.392   10.294   13.459   9.6817   50.358   14.375   44.079   14.232 6.278725 20.22820 
1 1 1  -25   16   19 o   86.701   6.5436   52.280   7.4224   53.631   9.4229   50.072   12.048   88.399   7.8659   85.002   10.459 3.397209 13.08713 
1 1 1  -25   16   20 o   95.824   6.1377   62.820   7.7081   61.720   9.6992   64.707   12.699   94.875   7.5440   96.773   9.6836 -1.898598 12.27535 
1 1 1  -25   16   21 o   95.843   6.8195   63.394   8.8406   58.180   12.285   68.994   12.732   91.714   9.8844   99.973   9.3980 -8.258781 13.63901 
1 1 1  -25   16   22 o   65.728   8.1286   31.313   6.8238   33.875   8.8092   27.467   10.790   70.059   9.2787   61.397   13.349 8.662548 16.25719 
1 1 1  -25   16   23 o   63.591   8.5150   30.482   6.8600   35.857   8.8229   22.266   10.909   72.105   9.0296   55.077   14.439 17.02818 17.03001 
1 1 1  -25   16   24 f  116.162   5.6457   89.857   8.5359   83.073   10.519  102.941   14.608  110.119   7.0487  122.204   8.8210 -12.08491 11.29135 
1 1 1  -25   16   25 o   89.196   6.3714   54.244   7.5176   52.007   9.5545   57.880   12.180   86.964   8.1074   91.428   9.8311 -4.463722 12.74286 
1 1 1  -25   16   26 o   47.174   9.3050   16.584   6.3498   20.516   8.2700   10.937   9.9110   53.196   11.783   41.153   14.405 12.04263 18.60999 
1 1 1  -25   16   27 o   73.659   8.8479   37.442   8.8318   37.442   8.8318   0.0000   0.0000   73.659   8.8479  ?   ?       ?      ? 
1 1 1  -25   16   28 o   50.857   8.5784   19.881   6.2581   27.279   8.1170   9.0388   9.8266   62.764   9.5433   38.950   14.258 23.81388 17.15684 
1 1 1  -25   16   29 o   91.071   6.3225   57.187   7.5044   56.865   9.3988   57.753   12.464   90.959   7.6251   91.183   10.087 -0.2238159 12.64490 
1 1 1  -25   16   30 o   54.996   8.7939   22.604   6.5060   26.925   8.5003   16.492   10.109   62.241   10.078   47.750   14.414 14.49151 17.58783 
1 1 1  -25   16   31 o   61.740   8.6355   30.669   6.8864   41.693   8.9478   14.653   10.785   77.716   8.4962   45.764   15.037 31.95147 17.27097 
1 1 1  -25   16   32 o  122.560   5.7414  104.507   9.0757  106.762   11.303  100.415   15.226  124.780   6.6847  120.339   9.3365 4.441208 11.48277 
1 1 1  -25   16   33 o   83.612   6.6435   47.483   7.3697   43.748   9.3639   53.562   11.946   79.529   8.6885   87.696   10.053 -8.166496 13.28697 
1 1 1  -25   16   34 o   99.706   6.0831   67.689   8.0107   64.148   10.133   73.590   13.081   96.479   7.7503  102.934   9.3781 -6.455246 12.16614 
1 1 1  -25   16   35 o   50.900   9.1444   19.595   6.3876   23.081   8.4000   14.815   9.8358   56.375   11.387   45.424   14.311 10.95058 18.28877 
1 1 1  -25   16   36 o   72.286   8.3753   37.435   8.0046   40.460   11.327   34.418   11.313   75.887   11.015   68.685   12.620 7.201355 16.75051 
1 1 1  -25   16   37 o  136.955   6.2007  130.461   11.459  133.835   15.633  126.543   16.846  139.043   8.2966  134.868   9.2174 4.175507 12.40135 
1 1 1  -25   16   38 o  133.986   5.5828  120.332   9.6912  111.948   11.886  136.962   16.740  127.558   6.8759  140.413   8.7974 -12.85556 11.16566 
1 1 1  -25   16   39 o   43.799   9.0418   11.662   6.2663   3.3399   8.1134   23.964   9.8648   30.789   12.483   56.809   13.084 -26.02016 18.08352 
1 1 1  -25   16   40 o   70.958   8.0654   37.148   7.2344   40.500   9.3024   32.020   11.508   76.234   9.0046   65.682   13.384 10.55180 16.13085 
1 1 1  -25   16   41 o  107.990   5.8889   76.081   8.2979   63.721   10.187  100.449   14.304   95.906   7.8383  120.075   8.7907 -24.16864 11.77781 
1 1 1  -25   16   42 o  103.922   7.4492   74.719   10.491   74.719   10.491   0.0000   0.0000  103.922   7.4492  ?   ?       ?      ? 
1 1 1  -25   16   43 o   64.687   10.016   29.477   8.7798   29.477   8.7798   0.0000   0.0000   64.687   10.016  ?   ?       ?      ? 
1 1 1  -25   16   44 o   54.471   8.7204   19.912   6.6560   10.196   8.5115   35.207   10.679   38.655   13.359   70.286   11.212 -31.63115 17.44077 
1 1 1  -25   16   45 o  102.299   6.5301   72.340   8.9797   63.727   11.843   83.989   13.773   95.273   9.1729  109.324   9.2967 -14.05070 13.06022 
1 1 1  -25   16   46 o   86.093   7.1160   51.112   8.1835   41.632   10.678   64.607   12.740   76.589   10.288   95.597   9.8339 -19.00870 14.23207 
1 1 1  -25   16   47 o   55.276   9.4704   23.921   7.2475   31.262   9.8612   15.297   10.688   65.098   11.604   45.454   14.970 19.64364 18.94086 
1 1 1  -25   16   48 o   50.311   9.8968   19.145   7.0375   15.607   9.5562   23.338   10.403   45.507   14.069   55.115   13.923 -9.608021 19.79370 
1 1 1  -25   16   49 o   85.507   7.3754   51.223   8.4431   42.002   11.139   63.673   12.944   76.509   10.744   94.504   10.107 -17.99471 14.75071 
1 1 1  -25   16   50 o   45.747   10.018   15.973   7.0890   20.389   9.6156   10.716   10.493   51.438   13.591   40.057   14.722 11.38156 20.03622 
1 1 1  -25   16   51 o   57.388   10.901   27.446   8.8621   18.618   14.634   32.558   11.136   49.374   17.484   65.402   13.023 -16.02840 21.80144 
1 1 1  -25   16   52 o   69.912   13.298   37.370   12.139   0.0000   0.0000   37.370   12.139  ?   ?    69.912   13.298      ?      ? 
1 1 1  -25   16   53 o   42.842   10.067   13.444   6.8680   10.424   9.2460   17.162   10.258   38.720   13.878   46.964   14.586 -8.243599 20.13329 
1 1 1  -25   16   54 o   69.689   8.4676   34.445   7.5011   19.961   9.6270   56.826   11.967   50.488   13.715   88.890   9.9347 -38.40188 16.93516 
1 1 1  -25   16   55 o   47.954   10.031   18.264   7.0512   20.686   9.4385   15.206   10.607   51.411   13.408   44.496   14.923 6.915489 20.06149 
1 1 1  -25   16   56 o   40.713   10.886   11.208   8.0819   11.440   13.051   11.063   10.293   41.670   16.165   39.755   14.586 1.914494 21.77261 
1 1 1  -25   16   57 o   67.956   16.270   38.087   14.784   38.087   14.784   0.0000   0.0000   67.956   16.270  ?   ?       ?      ? 
1 1 1  -25   16   58 o   86.056   9.8018   58.088   10.905   52.939   16.617   61.983   14.453   80.769   15.747   91.343   11.676 -10.57375 19.60360 
1 1 1  -25   16   59 o   28.904   13.205  -4.3734   11.536   0.0000   0.0000  -4.3734   11.536  ?   ?    28.904   13.205      ?      ? 
1 1 1  -25   16   61 o   33.779   14.659   2.2568   12.444   2.2568   12.444   0.0000   0.0000   33.779   14.659  ?   ?       ?      ? 
1 1 1  -25   16   62 o   52.706   11.207   23.653   9.0356   16.030   13.413   29.986   12.226   45.125   16.636   60.286   15.020 -15.16112 22.41363 
1 1 1  -25   16   63 o   40.034   10.802   10.805   8.5267   4.1409   12.604   16.430   11.578   34.995   14.964   45.073   15.581 -10.07830 21.60336 
1 1 1  -25   16   64 o   32.912   14.096   3.2195   11.217   0.0000   0.0000   3.2195   11.217  ?   ?    32.912   14.096      ?      ? 
1 1 1  -25   16   65 o   90.495   12.374   63.059   15.174   0.0000   0.0000   63.059   15.174  ?   ?    90.495   12.374      ?      ? 
1 1 1  -25   16   66 o   72.352   14.970   43.722   14.193   0.0000   0.0000   43.722   14.193  ?   ?    72.352   14.970      ?      ? 
1 1 1  -25   16   67 o   43.927   16.301   15.993   12.920   0.0000   0.0000   15.993   12.920  ?   ?    43.927   16.301      ?      ? 
1 1 1  -25   16   68 o   42.759   16.326   14.977   13.164   0.0000   0.0000   14.977   13.164  ?   ?    42.759   16.326      ?      ? 
1 1 1  -25   17    1 o  133.078   5.1093  122.139   9.2013  127.763   12.909  116.330   13.119  136.266   6.9908  129.890   7.4531 6.375717 10.21858 
1 1 1  -25   17    2 o  140.092   6.5781  134.282   11.653  143.023   20.845  130.308   14.054  142.721   10.778  137.462   7.5446 5.259048 13.15626 
1 1 1  -25   17    3 o  112.076   6.9227   82.760   9.8074  101.361   18.052   74.971   11.682  120.055   11.096  104.096   8.2811 15.95914 13.84548 
1 1 1  -25   17    4 o  143.229   5.8332  144.134   10.964  152.211   14.113  131.839   17.413  148.778   7.0001  137.681   9.3329 11.09671 11.66635 
1 1 1  -25   17    5 o   96.464   5.9004   62.593   7.3119   59.045   8.9023   69.949   12.819   92.654   7.0902  100.274   9.4334 -7.620155 11.80081 
1 1 1  -25   17    6 o   56.509   8.0432   20.860   5.8877   15.186   7.2398   31.943   10.118   45.574   11.671   67.444   11.070 -21.86935 16.08643 
1 1 1  -25   17    7 o   93.971   5.8321   56.964   7.0568   48.939   8.5190   74.510   12.597   84.299   7.4573  103.644   8.9689 -19.34440 11.66418 
1 1 1  -25   17    8 o   76.928   7.7785   40.808   8.1090   40.808   8.1090   0.0000   0.0000   76.928   7.7785  ?   ?       ?      ? 
1 1 1  -25   17    9 f   40.951   11.920   12.098   7.0154   12.098   7.0154   0.0000   0.0000   40.951   11.920  ?   ?       ?      ? 
1 1 1  -25   17   10 f   61.030   8.1980   27.421   6.2542   29.065   7.7442   24.338   10.605   64.769   8.8232   57.290   13.820 7.478535 16.39602 
1 1 1  -25   17   11 o   75.866   6.6564   37.167   6.5588   30.565   7.9981   50.724   11.460   66.411   8.8872   85.321   9.9120 -18.91029 13.31277 
1 1 1  -25   17   12 o   87.810   6.4269   51.861   7.1724   48.991   8.6417   58.214   12.858   84.339   7.5612   91.280   10.395 -6.941048 12.85384 
1 1 1  -25   17   13 o   94.741   6.3382   63.498   7.5357   65.843   9.1859   58.673   13.178   97.904   6.9237   91.579   10.619 6.324745 12.67649 
1 1 1  -25   17   14 o   69.532   7.7928   36.026   6.6349   39.784   8.2946   29.349   11.056   75.917   8.0626   63.147   13.338 12.77084 15.58564 
1 1 1  -25   17   15 o   59.060   8.1983   24.909   6.2336   24.677   7.8715   25.299   10.208   59.534   9.7569   58.586   13.178 0.9482803 16.39659 
1 1 1  -25   17   16 o   57.705   8.4148   25.563   6.2771   30.722   8.0416   17.519   10.043   66.571   8.9141   48.840   14.275 17.73064 16.82951 
1 1 1  -25   17   17 o   92.296   6.4196   60.749   7.4578   63.987   9.1590   54.378   12.847   96.488   7.0047   88.105   10.760 8.383675 12.83926 
1 1 1  -25   17   18 o   82.938   7.3556   47.762   8.2358   42.754   11.163   53.744   12.200   78.166   10.539   87.710   10.264 -9.543869 14.71128 
1 1 1  -25   17   19 o   58.741   9.4642   25.650   7.4001   29.926   10.386   21.241   10.547   64.039   12.416   53.443   14.287 10.59597 18.92844 
1 1 1  -25   17   20 o  107.425   5.9074   79.731   8.1345   79.523   10.001   80.137   13.983  107.577   6.8600  107.273   9.6193 0.3047638 11.81485 
1 1 1  -25   17   21 o  135.633   5.5943  128.597   9.5773  131.568   11.682  122.509   16.725  138.535   6.2228  132.732   9.2984 5.802139 11.18854 
1 1 1  -25   17   22 o  109.831   6.0195   84.271   8.5194   85.983   10.599   81.145   14.321  111.811   6.9952  107.853   9.7983 3.958008 12.03904 
1 1 1  -25   17   23 o  138.333   5.7086  136.586   9.9599  145.447   12.294  119.664   16.990  145.633   6.2295  131.034   9.5680 14.59897 11.41722 
1 1 1  -25   17   24 o  124.038   6.6745  105.720   11.219  105.720   11.219   0.0000   0.0000  124.038   6.6745  ?   ?       ?      ? 
1 1 1  -25   17   25 o   84.539   7.7921   49.373   8.9267   49.373   8.9267   0.0000   0.0000   84.539   7.7921  ?   ?       ?      ? 
1 1 1  -25   17   26 o   95.711   6.2865   64.121   7.7161   65.108   9.5390   62.253   13.124   97.192   7.2426   94.231   10.278 2.960732 12.57308 
1 1 1  -25   17   27 o   75.348   6.9568   37.589   6.8735   31.707   8.5060   48.657   11.668   67.435   9.3080   83.262   10.341 -15.82690 13.91350 
1 1 1  -25   17   28 o   85.679   6.4710   46.647   7.1714   35.500   8.7347   69.702   12.562   71.393   9.0283   99.964   9.2729 -28.57073 12.94210 
1 1 1  -25   17   29 o   41.368   9.2955   12.479   6.1281   16.178   7.7320   6.2309   10.049   46.811   12.100   35.925   14.114 10.88596 18.59090 
1 1 1  -25   17   30 o   81.900   6.5701   43.673   7.0271   35.058   8.6504   60.386   12.049   70.909   9.0023   92.891   9.5720 -21.98245 13.14021 
1 1 1  -25   17   31 o   70.041   7.6271   35.495   6.8021   36.812   8.6775   33.395   10.955   72.679   8.8105   67.403   12.452 5.276894 15.25413 
1 1 1  -25   17   32 o   68.151   7.4686   32.028   6.7385   29.419   8.5249   36.371   11.001   64.751   9.7154   71.550   11.346 -6.799263 14.93717 
1 1 1  -25   17   33 o   58.839   8.6023   26.295   6.5150   29.379   8.2559   21.204   10.607   64.746   9.4094   52.932   14.404 11.81454 17.20463 
1 1 1  -25   17   34 f   87.025   7.4152   53.517   8.7337   52.688   12.015   54.447   12.718   86.387   10.263   87.663   10.705 -1.275444 14.83048 
1 1 1  -25   17   35 o   57.176   9.6333   24.761   7.3509   25.861   10.029   23.483   10.806   58.787   12.940   55.566   14.274 3.220562 19.26661 
1 1 1  -25   17   36 o   48.819   9.8138   18.157   6.8919   21.129   9.2962   14.531   10.269   52.983   13.036   44.656   14.673 8.327904 19.62757 
1 1 1  -25   17   37 o   38.309   9.6887   9.2610   6.5961   13.502   9.1923   4.7595   9.4707   43.004   13.866   33.614   13.536 9.389240 19.37739 
1 1 1  -25   17   38 o   47.273   9.7630   17.006   6.8725   21.576   9.3112   11.538   10.186   53.449   12.984   41.096   14.584 12.35278 19.52594 
1 1 1  -25   17   39 o   47.299   9.8935   17.016   6.8254   18.843   9.2839   14.868   10.069   49.798   13.444   44.799   14.519 4.998470 19.78706 
1 1 1  -25   17   40 o   27.035   11.866  -1.0308   8.3549  -1.0308   8.3549   0.0000   0.0000   27.035   11.866  ?   ?       ?      ? 
1 1 1  -25   17   41 o   60.919   8.8920   26.840   7.2242   19.031   9.5350   37.364   11.069   49.853   13.694   71.986   11.347 -22.13322 17.78393 
1 1 1  -25   17   42 o  104.947   6.5654   76.636   9.2256   69.895   11.977   86.468   14.466   99.561   8.8775  110.333   9.6752 -10.77187 13.13085 
1 1 1  -25   17   43 o   60.398   9.2365   27.774   7.3048   27.579   9.8005   28.017   10.957   60.467   12.377   60.328   13.713 0.1386261 18.47297 
1 1 1  -25   17   44 o   38.551   9.2524   8.0482   6.4227  -0.1030   8.5203   18.776   9.7746   27.864   12.111   49.239   13.991 -21.37475 18.50478 
1 1 1  -25   17   45 o   62.836   8.8562   28.827   7.4110   16.557   9.7842   45.342   11.351   46.355   14.220   79.318   10.560 -32.96219 17.71235 
1 1 1  -25   17   46 o   72.670   7.8151   38.303   7.6044   38.000   10.013   38.717   11.688   72.707   10.163   72.633   11.875 0.7406616E-01 15.63013 
1 1 1  -25   17   47 o   41.341   10.526   9.8371   7.7420   20.204   12.487   3.3629   9.8675   50.350   16.153   32.331   13.502 18.01841 21.05238 
1 1 1  -25   17   48 f   75.083   8.6901   44.273   8.1570   58.244   11.195   28.464   11.909   90.379   9.1409   59.788   14.782 30.59057 17.38021 
1 1 1  -25   17   49 o   62.744   13.408   30.608   11.054   0.0000   0.0000   30.608   11.054  ?   ?    62.744   13.408      ?      ? 
1 1 1  -25   17   50 o   39.234   10.097   9.5287   7.8592  -2.2314   12.320   17.598   10.205   31.267   14.025   47.201   14.530 -15.93435 20.19457 
1 1 1  -25   17   51 o   69.284   9.9659   41.144   9.4501   17.078   14.064   60.954   12.760   46.960   17.077   91.607   10.279 -44.64735 19.93181 
1 1 1  -25   17   52 o   54.929   10.781   25.441   8.6698   16.821   13.409   31.633   11.365   46.447   16.706   63.411   13.631 -16.96360 21.56135 
1 1 1  -25   17   53 o   43.328   10.829   14.363   8.2132   8.4318   12.984   18.320   10.604   38.897   15.784   47.759   14.829 -8.862621 21.65733 
1 1 1  -25   17   54 o   25.437   12.069 -10.5728   11.208 -10.5728   11.208   0.0000   0.0000   25.437   12.069  ?   ?       ?      ? 
1 1 1  -25   17   55 o   34.085   14.657   2.9816   12.214   2.9816   12.214   0.0000   0.0000   34.085   14.657  ?   ?       ?      ? 
1 1 1  -25   17   56 o   58.238   10.730   29.134   9.0042   18.188   13.603   37.669   12.012   47.286   16.846   69.189   13.295 -21.90281 21.45983 
1 1 1  -25   17   57 o   32.602   10.001   1.6394   8.0857   4.7079   12.531  -0.5494   10.584   35.421   15.027   29.783   13.201 5.637218 20.00227 
1 1 1  -25   17   58 f   77.477   10.217   49.498   10.238   37.570   15.153   59.515   13.887   65.958   16.882   88.996   11.515 -23.03789 20.43493 
1 1 1  -25   17   59 o   61.161   11.767   32.001   9.9973   37.731   15.088   27.516   13.348   65.932   16.830   56.390   16.451 9.541477 23.53410 
1 1 1  -25   17   60 o   87.121   10.542   63.934   11.570   29.498   15.897  102.716   16.871   56.807   18.226  117.435   10.601 -60.62799 21.08467 
1 1 1  -25   17   61 o   45.096   11.550   16.032   9.6607   7.2147   13.826   24.445   13.505   37.634   15.865   52.557   16.792 -14.92279 23.10093 
1 1 1  -25   17   62 o   43.875   16.223   15.847   12.773   0.0000   0.0000   15.847   12.773  ?   ?    43.875   16.223      ?      ? 
1 1 1  -25   17   63 o   46.981   16.604   19.395   13.191   0.0000   0.0000   19.395   13.191  ?   ?    46.981   16.604      ?      ? 
1 1 1  -25   17   64 o   82.945   13.578   55.703   15.262   0.0000   0.0000   55.703   15.262  ?   ?    82.945   13.578      ?      ? 
1 1 1  -25   17   65 o   43.296   16.438   16.093   13.300   0.0000   0.0000   16.093   13.300  ?   ?    43.296   16.438      ?      ? 
1 1 1  -25   17   66 o   40.715   16.142   13.448   13.257   0.0000   0.0000   13.448   13.257  ?   ?    40.715   16.142      ?      ? 
1 1 1  -25   18    1 o  103.479   7.0344   79.828   9.2310   60.611   14.730   92.257   11.846   91.744   11.848  115.214   7.5872 -23.46960 14.06874 
1 1 1  -25   18    2 o   91.748   7.5804   64.001   8.7058   44.700   13.746   76.927   11.250   78.380   12.942  105.117   7.8973 -26.73602 15.16090 
1 1 1  -25   18    3 o   74.080   7.8787   39.077   7.7394   39.764   12.299   38.627   9.9579   74.229   12.227   73.931   9.9394 0.2980347 15.75740 
1 1 1  -25   18    4 o   97.399   6.4851   64.477   8.3731   56.961   10.585   77.041   13.686   90.245   8.6556  104.554   9.6596 -14.30858 12.97026 
1 1 1  -25   18    5 o  128.989   7.2957  115.289   12.753  115.289   12.753   0.0000   0.0000  128.989   7.2957  ?   ?       ?      ? 
1 1 1  -25   18    6 o   78.962   9.0935   43.720   9.7304   43.720   9.7304   0.0000   0.0000   78.962   9.0935  ?   ?       ?      ? 
1 1 1  -25   18    7 o   36.806   9.4714   8.4750   6.2338   11.013   8.3578   5.2923   9.3587   39.571   13.246   34.040   13.541 5.530853 18.94280 
1 1 1  -25   18    8 o   65.716   8.0696   30.886   6.9497   28.963   9.0631   33.630   10.827   63.942   10.459   67.491   12.291 -3.548676 16.13912 
1 1 1  -25   18    9 o   88.274   6.7889   51.766   7.8527   37.484   9.9515   75.336   12.784   72.863   10.078  103.684   9.0985 -30.82056 13.57789 
1 1 1  -25   18   10 o   74.482   8.0218   41.015   7.5951   44.791   9.8633   35.514   11.905   79.952   9.1035   69.013   13.211 10.93913 16.04356 
1 1 1  -25   18   11 o   62.676   8.8164   30.246   7.1275   35.678   9.2633   22.363   11.159   71.229   9.5969   54.123   14.792 17.10588 17.63271 
1 1 1  -25   18   12 o   41.336   9.9205   11.993   6.5774   12.314   8.5718   11.534   10.257   41.368   13.395   41.303   14.637 0.6502151E-01 19.84093 
1 1 1  -25   18   13 o   57.385   9.2514   25.104   6.9911   27.421   9.1876   21.916   10.775   61.114   11.516   53.657   14.482 7.457600 18.50272 
1 1 1  -25   18   14 o   75.859   7.9278   42.869   7.6011   48.790   9.9746   34.668   11.739   83.535   8.8114   68.182   13.182 15.35244 15.85555 
1 1 1  -25   18   15 o   68.439   9.9242   39.489   9.2489   14.742   14.302   57.279   12.126   46.747   17.187   90.131   9.9276 -43.38401 19.84831 
1 1 1  -25   18   16 o   83.957   9.1960   53.523   9.7091   43.275   15.167   60.638   12.638   75.234   15.395   92.680   10.062 -17.44567 18.39207 
1 1 1  -25   18   17 o   66.204   8.2960   30.968   7.1245   21.558   9.3515   43.986   10.999   53.556   13.013   78.853   10.293 -25.29769 16.59192 
1 1 1  -25   18   18 o   47.782   9.2064   17.357   6.7779   26.044   9.1205   6.6422   10.130   59.410   11.745   36.153   14.181 23.25687 18.41281 
1 1 1  -25   18   19 o   88.627   6.9597   53.925   8.2465   45.054   10.717   66.801   12.912   79.910   9.8967   97.344   9.7880 -17.43488 13.91943 
1 1 1  -25   18   20 o  135.035   9.2936  128.095   17.006   0.0000   0.0000  128.095   17.006  ?   ?   135.035   9.2936      ?      ? 
1 1 1  -25   18   21 o   80.605   9.6656   45.793   10.558   45.793   10.558   0.0000   0.0000   80.605   9.6656  ?   ?       ?      ? 
1 1 1  -25   18   22 o   55.749   12.741   23.330   9.4152   23.330   9.4152   0.0000   0.0000   55.749   12.741  ?   ?       ?      ? 
1 1 1  -25   18   23 o   93.923   6.8559   62.909   8.5184   65.777   11.088   58.778   13.307   97.018   8.4335   90.827   10.812 6.191399 13.71184 
1 1 1  -25   18   24 o   94.055   6.7940   61.442   8.5338   57.014   11.017   68.086   13.494   90.105   9.0222   98.005   10.160 -7.900108 13.58799 
1 1 1  -25   18   25 o   85.283   7.3603   51.767   8.3340   52.042   10.795   51.360   13.112   85.980   9.2650   84.586   11.439 1.393936 14.72064 
1 1 1  -25   18   26 o   49.869   9.9761   18.349   6.9977   14.954   9.0898   23.289   10.964   44.729   13.704   55.009   14.502 -10.28014 19.95230 
1 1 1  -25   18   27 o   55.402   9.7476   23.000   7.1902   20.737   9.2931   26.376   11.350   52.271   13.135   58.533   14.406 -6.262508 19.49529 
1 1 1  -25   18   28 o   97.126   6.8293   64.262   8.8170   53.107   11.251   82.011   14.193   86.648   9.5822  107.603   9.7334 -20.95587 13.65863 
1 1 1  -25   18   29 o   67.240   8.5795   32.279   7.5549   25.844   9.8175   41.623   11.830   58.514   12.742   75.965   11.492 -17.45157 17.15897 
1 1 1  -25   18   30 o   61.131   9.2514   27.653   7.3203   24.597   9.4058   32.347   11.658   57.112   12.500   65.150   13.642 -8.037621 18.50282 
1 1 1  -25   18   31 o   94.277   8.4325   62.504   10.598   78.624   16.842   51.938   13.636  104.002   11.950   84.553   11.901 19.44858 16.86504 
1 1 1  -25   18   32 o   77.044   10.002   47.394   9.8082   32.326   14.826   59.121   13.079   63.316   16.945   90.773   10.633 -27.45720 20.00480 
1 1 1  -25   18   33 o   64.320   8.8968   30.778   7.3958   28.423   9.6464   34.137   11.520   61.590   11.989   67.049   13.148 -5.459290 17.79367 
1 1 1  -25   18   34 o   58.352   9.3547   26.840   7.3379   31.600   9.5262   19.895   11.507   66.287   10.605   50.416   15.413 15.87082 18.70931 
1 1 1  -25   18   35 o   56.994   9.3541   26.372   7.4477   34.502   9.7051   14.727   11.616   69.322   10.331   44.667   15.597 24.65462 18.70817 
1 1 1  -25   18   36 o   77.601   8.1674   45.218   8.1002   49.099   10.590   39.746   12.575   83.048   9.4097   72.155   13.352 10.89369 16.33482 
1 1 1  -25   18   37 f   30.697   12.699   3.1772   8.6127   3.1772   8.6127   0.0000   0.0000   30.697   12.699  ?   ?       ?      ? 
1 1 1  -25   18   38 f   75.450   10.208   40.980   10.437   40.980   10.437   0.0000   0.0000   75.450   10.208  ?   ?       ?      ? 
1 1 1  -25   18   39 o   61.926   9.2721   30.008   7.6020   34.573   10.094   24.026   11.555   69.009   10.794   54.842   15.079 14.16692 18.54417 
1 1 1  -25   18   40 o   63.215   8.6186   27.540   7.4745   9.5326   9.5122   56.606   12.085   37.801   13.995   88.630   10.062 -50.82836 17.23710 
1 1 1  -25   18   41 o   31.259   9.5486  -1.0750   7.3948   7.2301   11.928  -6.2596   9.4244   37.464   15.154   25.054   11.621 12.40983 19.09712 
1 1 1  -25   18   42 o   54.706   11.017   24.098   8.4626   25.627   13.232   23.040   11.008   55.768   16.410   53.644   14.705 2.124149 22.03469 
1 1 1  -25   18   43 o   46.756   11.176   16.724   8.2502   20.165   13.261   14.551   10.538   49.896   16.685   43.616   14.872 6.279613 22.35140 
1 1 1  -25   18   44 o   57.897   10.748   28.216   8.7789   20.025   13.624   34.032   11.480   49.663   16.910   66.131   13.271 -16.46815 21.49644 
1 1 1  -25   18   45 o   73.181   9.8623   42.153   9.4400   38.582   14.296   44.914   12.570   68.735   15.693   77.627   11.950 -8.891106 19.72458 
1 1 1  -25   18   46 o   68.179   13.792   36.641   12.305   0.0000   0.0000   36.641   12.305  ?   ?    68.179   13.792      ?      ? 
1 1 1  -25   18   47 o   62.408   14.635   31.452   12.162   0.0000   0.0000   31.452   12.162  ?   ?    62.408   14.635      ?      ? 
1 1 1  -25   18   48 o   80.338   9.7504   51.710   10.038   39.810   14.805   61.835   13.656   69.206   16.091   91.470   11.017 -22.26449 19.50081 
1 1 1  -25   18   49 o   73.114   10.121   44.462   9.6919   26.838   14.098   60.257   13.346   55.939   17.052   90.289   10.908 -34.34983 20.24250 
1 1 1  -25   18   50 o   74.113   9.8719   44.580   9.4969   33.170   13.927   54.495   12.984   62.639   16.264   85.587   11.195 -22.94874 19.74385 
1 1 1  -25   18   51 o   50.321   11.274   21.241   8.6155   20.602   12.862   21.761   11.604   49.536   16.427   51.105   15.447 -1.568859 22.54897 
1 1 1  -25   18   52 o   30.306   13.608  -1.6318   11.629  -1.6318   11.629   0.0000   0.0000   30.306   13.608  ?   ?       ?      ? 
1 1 1  -25   18   53 o   39.849   10.924   10.157   8.6414   16.567   12.673   4.5875   11.814   45.197   16.243   34.501   14.611 10.69597 21.84730 
1 1 1  -25   18   54 o   67.989   10.913   39.610   10.217   27.596   14.916   50.228   14.023   55.495   17.638   80.484   12.857 -24.98959 21.82684 
1 1 1  -25   18   55 o   45.204   11.422   16.866   8.7699   17.095   13.706   16.707   11.412   45.472   16.807   44.936   15.472 0.5363884 22.84440 
1 1 1  -25   18   56 o   48.118   11.609   19.368   9.0547   25.292   14.008   15.116   11.867   53.077   17.117   43.159   15.688 9.917721 23.21855 
1 1 1  -25   18   57 o   40.467   10.439   10.410   8.7626  -4.3272   13.015   22.629   11.851   29.971   13.815   50.963   15.653 -20.99169 20.87725 
1 1 1  -25   18   58 o   46.008   11.353   18.416   9.1632   10.978   13.968   24.035   12.141   39.880   16.299   52.137   15.810 -12.25682 22.70658 
1 1 1  -25   18   59 o   40.968   11.008   10.670   8.9064   23.410   13.851   1.6886   11.630   50.346   17.051   31.591   13.928 18.75544 22.01693 
1 1 1  -25   18   60 o   41.455   15.740   14.223   12.195   0.0000   0.0000   14.223   12.195  ?   ?    41.455   15.740      ?      ? 
1 1 1  -25   18   61 o   23.671   11.478 -13.8737   11.454   0.0000   0.0000 -13.8737   11.454  ?   ?    23.671   11.478      ?      ? 
1 1 1  -25   18   62 o   44.628   16.574   18.394   13.361   0.0000   0.0000   18.394   13.361  ?   ?    44.628   16.574      ?      ? 
1 1 1  -25   18   63 o   36.893   15.467   9.3673   13.025   0.0000   0.0000   9.3673   13.025  ?   ?    36.893   15.467      ?      ? 
1 1 1  -25   18   64 o   36.047   15.291   8.6638   12.972   0.0000   0.0000   8.6638   12.972  ?   ?    36.047   15.291      ?      ? 
1 1 1  -25   19    1 o   73.765   9.2765   41.001   8.9290   30.738   12.169   52.972   13.142   62.384   14.645   85.146   11.390 -22.76157 18.55305 
1 1 1  -25   19    2 o   74.096   12.013   40.411   12.062   40.411   12.062   0.0000   0.0000   74.096   12.013  ?   ?       ?      ? 
1 1 1  -25   19    3 o   48.393   14.822   18.332   10.635   18.332   10.635   0.0000   0.0000   48.393   14.822  ?   ?       ?      ? 
1 1 1  -25   19    4 o   89.248   8.6605   58.612   9.7060   38.065   13.011   84.392   14.574   69.981   14.205  108.515   9.9108 -38.53353 17.32094 
1 1 1  -25   19    5 o   90.205   7.7438   58.977   9.4603   56.297   13.275   61.743   13.485   88.027   11.128   92.383   10.772 -4.355927 15.48768 
1 1 1  -25   19    6 o   93.571   6.6808   58.013   8.1658   45.341   10.081   82.189   13.925   79.819   9.3202  107.323   9.5743 -27.50394 13.36163 
1 1 1  -25   19    7 o   74.290   7.7651   38.665   7.5867   34.792   9.4685   45.611   12.680   69.667   10.029   78.912   11.858 -9.244949 15.53015 
1 1 1  -25   19    8 o   94.168   6.9020   63.087   8.4587   62.367   10.576   64.365   14.091   94.104   8.2934   94.232   11.035 -0.1284866 13.80408 
1 1 1  -25   19    9 o  108.672   6.5009   81.677   9.1675   76.543   11.288   91.625   15.712  104.406   7.9783  112.939   10.266 -8.532761 13.00187 
1 1 1  -25   19   10 o   80.682   7.8330   46.785   8.1561   45.867   10.082   48.524   13.874   80.339   9.2609   81.025   12.636 -0.6860352 15.66606 
1 1 1  -25   19   11 o   71.410   8.2757   35.639   7.6352   29.320   9.5221   47.017   12.778   62.608   11.652   80.213   11.755 -17.60469 16.55149 
1 1 1  -25   19   12 o  121.266   7.8649  106.734   12.781  105.822   19.483  107.423   16.935  120.188   11.962  122.344   10.214 -2.156250 15.72986 
1 1 1  -25   19   13 o  105.412   8.5821   83.396   11.912   68.508   17.826   95.411   16.013   95.546   13.767  115.278   10.250 -19.73190 17.16416 
1 1 1  -25   19   14 o   79.950   7.8904   43.550   8.0451   31.766   10.046   64.617   13.432   65.144   11.815   94.755   10.461 -29.61086 15.78077 
1 1 1  -25   19   15 o   79.763   7.6709   43.972   8.0955   36.688   10.197   56.389   13.314   71.361   10.545   88.164   11.143 -16.80344 15.34180 
1 1 1  -25   19   16 o   99.225   6.8425   67.792   9.0090   58.496   11.409   83.189   14.683   90.712   9.2810  107.738   10.057 -17.02608 13.68509 
1 1 1  -25   19   17 o   85.253   7.6557   54.131   8.4622   60.023   10.952   45.402   13.331   92.110   8.7739   78.396   12.548 13.71330 15.31130 
1 1 1  -25   19   18 o   88.073   7.4016   56.360   8.5061   57.914   10.793   53.814   13.818   90.454   8.8054   85.692   11.900 4.761749 14.80316 
1 1 1  -25   19   19 o   77.557   9.8269   43.037   10.328   43.037   10.328   0.0000   0.0000   77.557   9.8269  ?   ?       ?      ? 
1 1 1  -25   19   20 o   67.106   8.5935   33.208   7.5325   31.526   9.7717   35.671   11.825   65.950   10.934   68.262   13.261 -2.311317 17.18700 
1 1 1  -25   19   21 o   84.701   7.2560   49.575   8.1613   39.991   10.429   64.718   13.109   74.526   10.326   94.876   10.196 -20.35049 14.51191 
1 1 1  -25   19   22 o   82.127   7.4484   46.073   8.0129   33.201   10.180   67.032   12.990   67.568   11.118   96.686   9.9146 -29.11779 14.89686 
1 1 1  -25   19   23 o   70.462   8.8868   39.087   7.9114   46.325   10.367   28.993   12.243   80.540   9.4982   60.384   15.023 20.15662 17.77362 
1 1 1  -25   19   24 o   70.005   10.010   38.904   9.2471   28.215   13.552   48.217   12.650   58.834   16.389   81.177   11.499 -22.34227 20.02065 
1 1 1  -25   19   25 o   53.377   10.349   23.051   8.3053   12.146   12.308   32.168   11.254   42.164   15.858   64.590   13.300 -22.42593 20.69756 
1 1 1  -25   19   26 o   38.881   10.059   9.3085   7.5910  -0.0362   11.578   16.355   10.054   31.861   13.977   45.902   14.469 -14.04105 20.11748 
1 1 1  -25   19   27 o   75.537   9.6433   45.166   9.3507   30.200   13.489   59.008   12.973   60.875   16.104   90.199   10.614 -29.32418 19.28664 
1 1 1  -25   19   28 o  100.199   8.5080   76.522   11.042   55.030   16.108   95.573   15.165   85.017   13.981  115.382   9.6992 -30.36495 17.01608 
1 1 1  -25   19   29 o   51.971   14.714   21.535   10.831   0.0000   0.0000   21.535   10.831  ?   ?    51.971   14.714      ?      ? 
1 1 1  -25   19   30 o   34.309   9.9221   5.1623   7.2865   6.2259   10.934   4.3124   9.7732   35.715   14.487   32.903   13.562 2.812450 19.84423 
1 1 1  -25   19   31 o   46.014   10.145   16.020   7.7518   5.9733   11.265   25.056   10.684   35.780   14.632   56.249   14.056 -20.46900 20.28904 
1 1 1  -25   19   32 o   48.699   10.682   19.092   8.0168   13.693   11.974   23.478   10.793   43.188   15.749   54.211   14.435 -11.02328 21.36348 
1 1 1  -25   19   33 o   57.025   10.529   26.656   8.3247   21.629   12.470   30.697   11.181   51.467   16.097   62.583   13.575 -11.11557 21.05703 
1 1 1  -25   19   34 o   51.390   10.823   21.402   8.5441   13.144   12.356   28.968   11.827   42.721   15.925   60.059   14.660 -17.33825 21.64524 
1 1 1  -25   19   35 o   28.477   12.965  -4.0221   11.001  -4.0221   11.001   0.0000   0.0000   28.477   12.965  ?   ?       ?      ? 
1 1 1  -25   19   36 o   46.087   10.929   16.860   8.1174   14.256   11.951   19.089   11.060   43.523   15.755   48.652   15.151 -5.128868 21.85816 
1 1 1  -25   19   37 o   57.680   10.516   26.300   8.5229   37.502   12.825   17.438   11.406   68.661   14.250   46.700   15.469 21.96173 21.03221 
1 1 1  -25   19   38 o   45.198   10.745   16.141   7.9963   11.331   11.877   20.129   10.814   40.585   15.504   49.812   14.880 -9.227253 21.48930 
1 1 1  -25   19   39 o   36.114   10.088   5.2911   7.4810   14.660   11.926  -0.7861   9.6057   43.733   15.752   28.495   12.606 15.23804 20.17558 
1 1 1  -25   19   40 o   31.516   9.6753   1.4497   7.5844   1.0976   11.793   1.6980   9.9047   32.396   14.161   30.637   13.187 1.758411 19.35053 
1 1 1  -25   19   41 o   49.292   9.7697   14.700   8.2905   38.297   13.043  -1.2968   10.739   69.005   14.413   29.579   13.193 39.42665 19.53941 
1 1 1  -25   19   42 o   32.472   9.8743   2.2708   7.9189  -1.1085   11.870   4.9807   10.630   31.021   13.851   33.923   14.077 -2.902393 19.74864 
1 1 1  -25   19   43 o   38.043   9.7404   6.7662   8.0281 -10.1975   12.123   20.017   10.714   26.711   12.638   49.374   14.825 -22.66317 19.48079 
1 1 1  -25   19   44 o   42.455   15.054   14.021   10.851   0.0000   0.0000   14.021   10.851  ?   ?    42.455   15.054      ?      ? 
1 1 1  -25   19   45 o   45.358   10.859   16.774   8.4568   8.6419   13.107   22.573   11.069   38.605   15.785   52.112   14.917 -13.50663 21.71758 
1 1 1  -25   19   46 o   47.450   11.081   18.813   8.7112   11.485   13.041   24.718   11.706   40.716   16.052   54.184   15.281 -13.46862 22.16233 
1 1 1  -25   19   47 o   45.693   11.176   15.393   8.6686   26.321   13.667   8.0364   11.213   54.766   16.807   36.619   14.735 18.14682 22.35155 
1 1 1  -25   19   48 o   54.899   9.7943   24.791   9.1768   3.3494   13.512   43.147   12.502   34.958   15.223   74.840   12.327 -39.88256 19.58862 
1 1 1  -25   19   49 o   48.347   16.941   20.359   13.711   20.359   13.711   0.0000   0.0000   48.347   16.941  ?   ?       ?      ? 
1 1 1  -25   19   50 o   36.454   15.499   6.2226   13.379   6.2226   13.379   0.0000   0.0000   36.454   15.499  ?   ?       ?      ? 
1 1 1  -25   19   51 o   35.633   10.496   6.7744   8.2945   7.4316   12.961   6.3185   10.795   36.847   15.437   34.419   14.226 2.427845 20.99273 
1 1 1  -25   19   52 o   40.746   10.733   12.749   8.5416   3.9179   13.154   19.188   11.232   34.473   15.016   47.019   15.340 -12.54637 21.46593 
1 1 1  -25   19   53 o   36.529   10.374   4.4468   8.6581   19.087   13.070  -7.0008   11.558   46.286   16.510   26.772   12.565 19.51361 20.74728 
1 1 1  -25   19   54 o   42.705   9.5530   8.9455   8.9400 -18.1029   13.128   32.336   12.208   24.457   11.954   60.953   14.904 -36.49588 19.10598 
1 1 1  -25   19   55 o   29.204   9.4285  -5.7190   8.3960   6.4512   13.103 -14.1969   10.936   35.520   15.225   22.888   11.126 12.63131 18.85691 
1 1 1  -25   19   56 f   41.847   11.014   14.552   9.2041   3.5850   14.070   22.754   12.169   34.211   15.190   49.483   15.953 -15.27224 22.02813 
1 1 1  -25   19   57 o   48.534   16.233   22.402   12.552   0.0000   0.0000   22.402   12.552  ?   ?    48.534   16.233      ?      ? 
1 1 1  -25   19   58 f   42.010   16.017   16.097   12.660   0.0000   0.0000   16.097   12.660  ?   ?    42.010   16.017      ?      ? 
1 1 1  -25   19   59 o   30.519   13.694   1.5027   11.754   0.0000   0.0000   1.5027   11.754  ?   ?    30.519   13.694      ?      ? 
1 1 1  -25   19   60 o   38.604   15.472   12.991   12.309   0.0000   0.0000   12.991   12.309  ?   ?    38.604   15.472      ?      ? 
1 1 1  -25   19   61 o   28.818   13.361  -1.9764   12.437   0.0000   0.0000  -1.9764   12.437  ?   ?    28.818   13.361      ?      ? 
1 1 1  -25   20    8 o   55.563   11.026   25.438   8.6450   26.169   12.121   24.681   12.334   56.463   15.410   54.663   15.775 1.800655 22.05273 
1 1 1  -25   20    9 f   91.218   11.521   61.722   14.241   0.0000   0.0000   61.722   14.241  ?   ?    91.218   11.521      ?      ? 
1 1 1  -25   20   10 o   64.003   14.717   32.980   12.497   0.0000   0.0000   32.980   12.497  ?   ?    64.003   14.717      ?      ? 
1 1 1  -25   20   11 o   37.493   10.258   8.5342   7.5081   5.3727   10.461   11.893   10.783   34.322   14.075   40.664   14.928 -6.341557 20.51685 
1 1 1  -25   20   12 o   39.199   9.9000   8.4284   7.6228  -2.6315   10.698   19.834   10.864   28.850   12.994   49.549   14.940 -20.69941 19.79995 
1 1 1  -25   20   13 o   41.455   10.516   12.369   7.7516   7.4065   11.165   16.986   10.770   36.691   14.725   46.219   15.018 -9.527981 21.03263 
1 1 1  -25   20   14 o   33.716   9.7718   3.0629   7.6683  -5.3365   11.003   10.997   10.693   27.722   12.750   39.710   14.812 -11.98851 19.54363 
1 1 1  -25   20   15 f   53.745   15.714   23.794   12.167   23.794   12.167   0.0000   0.0000   53.745   15.714  ?   ?       ?      ? 
1 1 1  -25   20   16 o   55.272   15.846   25.267   12.482   25.267   12.482   0.0000   0.0000   55.272   15.846  ?   ?       ?      ? 
1 1 1  -25   20   17 o   56.201   9.5916   24.319   8.6094   6.0597   12.080   43.166   12.273   36.352   15.039   76.050   11.909 -39.69776 19.18329 
1 1 1  -25   20   18 o   29.117   8.8803  -4.2018   7.3220 -18.0281   10.686   8.0333   10.053   21.891   10.718   36.342   14.162 -14.45076 17.76061 
1 1 1  -25   20   19 o   64.893   10.341   34.405   8.9322   27.451   13.020   40.588   12.277   57.412   16.089   72.374   12.995 -14.96277 20.68209 
1 1 1  -25   20   20 o   39.952   10.684   10.698   7.9696   14.048   11.697   7.7959   10.888   43.148   15.592   36.757   14.611 6.391346 21.36774 
1 1 1  -25   20   21 o   33.281   9.9282   3.5684   7.6153   5.0144   11.504   2.4407   10.160   34.977   14.590   31.584   13.469 3.392618 19.85641 
1 1 1  -25   20   22 o   32.970   9.7726   0.6755   7.6238   11.126   11.980  -6.4367   9.8832   40.445   15.543   25.494   11.851 14.95101 19.54525 
1 1 1  -25   20   23 o   77.210   9.8977   48.293   9.8030   35.812   14.590   58.565   13.236   65.309   16.484   89.111   10.961 -23.80247 19.79534 
1 1 1  -25   20   24 o   79.226   9.5322   49.678   9.7233   41.695   14.604   56.036   13.032   71.365   15.541   87.088   11.042 -15.72304 19.06447 
1 1 1  -25   20   25 o   58.632   11.173   27.922   8.8616   31.964   14.511   25.518   11.191   61.227   16.924   56.037   14.592 5.189644 22.34673 
1 1 1  -25   20   26 o   50.165   14.697   20.472   10.634   0.0000   0.0000   20.472   10.634  ?   ?    50.165   14.697      ?      ? 
1 1 1  -25   20   27 o   80.353   9.1146   49.787   9.5267   48.830   14.685   50.482   12.518   78.230   14.383   82.476   11.200 -4.245911 18.22927 
1 1 1  -25   20   28 o   86.750   8.6473   56.932   10.070   55.868   15.174   57.769   13.462   85.352   13.119   88.148   11.269 -2.796165 17.29469 
1 1 1  -25   20   29 o   73.682   9.7607   43.062   9.4275   39.130   14.053   46.280   12.713   68.946   15.426   78.417   11.963 -9.471558 19.52136 
1 1 1  -25   20   30 o   43.199   10.806   13.499   8.0092   20.459   12.326   8.4128   10.537   49.573   16.064   36.826   14.457 12.74682 21.61122 
1 1 1  -25   20   31 o   27.653   8.9369  -4.3534   7.5406  -7.4475   10.972  -1.5835   10.381   26.424   12.351   28.881   12.920 -2.457239 17.87380 
1 1 1  -25   20   32 o   38.532   15.248   9.4275   11.810   9.4275   11.810   0.0000   0.0000   38.532   15.248  ?   ?       ?      ? 
1 1 1  -25   20   33 o   36.093   10.356   6.8597   7.9282   9.7809   11.645   4.3361   10.824   38.686   15.195   33.501   14.075 5.185310 20.71232 
1 1 1  -25   20   34 o   47.712   10.637   18.542   8.2875   9.5052   12.077   26.586   11.393   38.665   15.382   56.758   14.697 -18.09328 21.27473 
1 1 1  -25   20   35 o   41.035   9.7252   10.442   7.9749  -6.2323   11.931   23.908   10.722   28.173   13.070   53.898   14.404 -25.72469 19.45036 
1 1 1  -25   20   36 o   48.301   10.935   17.999   8.2466   28.093   13.057   11.300   10.637   57.200   16.141   39.402   14.758 17.79869 21.87074 
1 1 1  -25   20   37 o   47.987   11.022   17.763   8.4008   28.201   13.240   10.730   10.869   57.088   16.304   38.886   14.837 18.20213 22.04498 
1 1 1  -25   20   38 o   38.663   10.640   10.148   7.8487   11.532   12.659   9.2837   10.003   40.402   15.851   36.923   14.199 3.478771 21.28093 
1 1 1  -25   20   39 o   27.448   8.8921  -3.6196   7.2550  -3.6841   11.788  -3.5802   9.2048   29.114   13.319   25.781   11.785 3.333237 17.78417 
1 1 1  -25   20   40 o   41.970   10.865   11.862   8.1282   22.135   13.288   5.7201   10.275   50.214   16.700   33.725   13.904 16.48832 21.72993 
1 1 1  -25   20   41 o   51.797   15.203   22.987   11.370   0.0000   0.0000   22.987   11.370  ?   ?    51.797   15.203      ?      ? 
1 1 1  -25   20   42 o   43.081   10.760   15.089   8.8258   1.9020   14.636   22.624   11.064   34.758   15.460   51.404   14.971 -16.64578 21.52061 
1 1 1  -25   20   43 o   48.912   11.511   20.726   8.7456   23.573   14.153   18.967   11.123   50.858   17.236   46.965   15.263 3.893040 23.02270 
1 1 1  -25   20   44 o   43.830   11.286   15.779   8.5358   19.451   13.609   13.397   10.960   46.829   16.831   40.830   15.040 5.998920 22.57215 
1 1 1  -25   20   45 o   25.742   8.6363 -15.3367   7.6273   3.3225   12.979 -25.1793   9.4267   33.841   14.823   17.643   8.8664 16.19752 17.27252 
1 1 1  -25   20   46 o   48.144   11.732   20.628   9.0625   24.026   14.802   18.590   11.462   50.342   17.605   45.945   15.512 4.397232 23.46347 
1 1 1  -25   20   47 o   37.212   16.021   7.4210   14.629   7.4210   14.629   0.0000   0.0000   37.212   16.021  ?   ?       ?      ? 
1 1 1  -25   20   48 o   27.324   9.0615  -6.9679   8.6304 -16.2837   14.078  -1.3587   10.924   25.968   12.623   28.679   13.004 -2.710480 18.12293 
1 1 1  -25   20   49 o   36.735   11.083   7.9997   9.5441   9.1249   15.341   7.2891   12.191   38.182   16.423   35.287   14.888 2.895016 22.16654 
1 1 1  -25   20   50 o   43.915   11.505   13.966   9.4625   31.250   15.598   3.9004   11.903   55.257   18.079   32.573   14.234 22.68412 23.00993 
1 1 1  -25   20   51 o   43.682   11.902   17.107   9.7522   23.583   15.746   13.077   12.422   47.906   17.953   39.458   15.631 8.448116 23.80399 
1 1 1  -25   20   52 o   34.946   10.722   6.7137   9.2129   8.0331   14.803   5.8797   11.770   36.476   15.908   33.415   14.379 3.061550 21.44328 
1 1 1  -25   20   53 o   39.851   11.241   14.240   9.2308   10.717   15.051   16.364   11.687   37.876   16.279   41.826   15.507 -3.949417 22.48282 
1 1 1  -25   20   54 o   57.865   16.130   32.973   13.123   0.0000   0.0000   32.973   13.123  ?   ?    57.865   16.130      ?      ? 
1 1 1  -25   20   55 o   40.973   16.128   16.451   13.145   0.0000   0.0000   16.451   13.145  ?   ?    40.973   16.128      ?      ? 
1 1 1  -25   20   56 o   28.596   13.126  -0.3997   11.583   0.0000   0.0000  -0.3997   11.583  ?   ?    28.596   13.126      ?      ? 
1 1 1  -25   21   15 o   44.160   9.7047   13.702   8.2017  -4.7433   12.308   28.436   11.000   29.289   13.476   59.030   13.969 -29.74162 19.40942 
1 1 1  -25   21   16 o   37.719   10.605   8.9403   8.0246   10.547   12.406   7.7846   10.522   39.521   15.632   35.917   14.336 3.604149 21.21066 
1 1 1  -25   21   17 o   41.587   10.884   13.290   8.1903   10.766   12.538   15.169   10.817   39.762   15.719   43.412   15.057 -3.649368 21.76711 
1 1 1  -25   21   18 o   49.951   11.255   20.481   8.5596   26.981   13.358   15.954   11.149   55.632   16.519   44.271   15.291 11.36106 22.50952 
1 1 1  -25   21   19 o   45.200   10.893   16.898   8.4142   9.7881   12.999   22.026   11.039   39.187   15.831   51.212   14.966 -12.02471 21.78503 
1 1 1  -25   21   20 o   45.784   10.552   16.877   8.5621   4.2265   12.985   26.607   11.389   35.133   15.111   56.435   14.733 -21.30138 21.10447 
1 1 1  -25   21   21 o   49.641   11.421   20.747   8.7093   24.253   13.576   18.296   11.353   52.535   16.841   46.746   15.431 5.788845 22.84190 
1 1 1  -25   21   22 o   46.811   15.284   18.357   11.149   0.0000   0.0000   18.357   11.149  ?   ?    46.811   15.284      ?      ? 
1 1 1  -25   21   23 o   49.230   15.225   20.512   11.191   0.0000   0.0000   20.512   11.191  ?   ?    49.230   15.225      ?      ? 
1 1 1  -25   21   24 o   45.825   11.092   16.636   8.2400   23.284   13.079   12.260   10.611   51.554   16.530   40.096   14.794 11.45773 22.18379 
1 1 1  -25   21   25 o   27.483   8.7335  -3.3102   7.2159 -14.0274   11.697   3.2733   9.1681   24.379   11.768   30.587   12.908 -6.207485 17.46697 
1 1 1  -25   21   26 o   40.268   10.624   12.350   8.0268   6.8215   12.810   15.924   10.299   36.576   15.337   43.960   14.704 -7.383587 21.24734 
1 1 1  -25   21   27 o   32.392   9.9412   2.5058   7.8636   4.3024   12.814   1.4207   9.9592   34.794   14.988   29.989   13.064 4.805496 19.88234 
1 1 1  -25   21   28 o   46.608   11.072   18.428   9.0363   7.9640   13.743   26.397   11.994   37.907   15.890   55.308   15.422 -17.40127 22.14324 
1 1 1  -25   21   29 o   43.254   16.512   15.085   13.466   15.085   13.466   0.0000   0.0000   43.254   16.512  ?   ?       ?      ? 
1 1 1  -25   21   30 o   24.844   8.3736  -9.6213   7.6256 -14.0542   12.665  -7.1000   9.5511   25.486   12.287   24.203   11.379 1.282740 16.74728 
1 1 1  -25   21   31 o   42.564   11.090   14.934   8.4753   11.794   13.781   16.843   10.748   40.494   16.321   44.634   15.021 -4.140186 22.18097 
1 1 1  -25   21   32 o   37.542   10.680   8.3573   8.0751   14.583   13.485   4.8770   10.083   42.539   16.451   32.545   13.624 9.993450 21.36012 
1 1 1  -25   21   33 o   51.968   9.5911   12.585   8.6822   51.505   15.159  -6.4140   10.591   78.048   14.876   25.887   12.111 52.16116 19.18226 
1 1 1  -25   21   34 o   34.445   10.280   5.9950   7.9430   3.8155   14.062   7.0161   9.6256   34.996   15.377   33.894   13.647 1.102100 20.55945 
1 1 1  -25   21   35 o   35.342   10.345   7.2210   8.1979   1.5946   13.763   10.315   10.206   33.396   14.913   37.288   14.342 -3.892048 20.68997 
1 1 1  -25   21   36 o   31.720   9.1983   0.6525   7.8922 -22.4652   13.356   13.056   9.7830   23.500   11.599   39.941   14.280 -16.44105 18.39655 
1 1 1  -25   21   37 o   30.735   9.6360   1.0832   8.0526  -6.0494   13.724   4.8284   9.9445   29.437   13.776   32.032   13.477 -2.594809 19.27191 
1 1 1  -25   21   38 o   49.110   15.564   21.859   11.621   0.0000   0.0000   21.859   11.621  ?   ?    49.110   15.564      ?      ? 
1 1 1  -25   21   39 o   33.371   10.173   4.4653   8.5938  -4.5594   14.941   8.9269   10.505   31.030   14.473   35.712   14.300 -4.682775 20.34611 
1 1 1  -25   21   40 o   37.999   10.961   10.701   8.8017   9.1223   14.570   11.607   11.045   37.764   16.117   38.235   14.860 -0.4716835 21.92217 
1 1 1  -25   21   41 o   39.822   10.905   13.193   8.8911   4.7034   14.643   18.151   11.190   34.997   15.519   44.647   15.324 -9.649731 21.81020 
1 1 1  -25   21   42 o   44.068   11.682   17.927   9.2005   20.185   15.209   16.624   11.554   45.373   17.492   42.762   15.490 2.611061 23.36463 
1 1 1  -25   21   43 o   32.202   10.053   3.3520   8.6618  -1.5407   13.984   6.3976   11.033   31.004   14.301   33.399   14.131 -2.395107 20.10501 
1 1 1  -25   21   44 o   36.652   15.918   8.5749   14.694   8.5749   14.694   0.0000   0.0000   36.652   15.918  ?   ?       ?      ? 
1 1 1  -25   21   45 o   38.024   10.974   11.820   9.2292   5.8494   14.487   15.898   11.973   34.747   15.421   41.300   15.617 -6.552425 21.94796 
1 1 1  -25   21   46 o   41.349   11.461   16.517   9.5356   12.218   15.378   19.203   12.154   38.561   16.510   44.138   15.902 -5.576656 22.92297 
1 1 1  -25   21   47 o   31.614   10.178   1.1301   9.0751   7.8369   15.449  -2.4033   11.214   35.770   15.898   27.458   12.715 8.311377 20.35694 
1 1 1  -25   21   48 o   30.614   9.9660  -0.1920   9.0964   5.9408   15.168  -3.6364   11.367   34.372   15.478   26.856   12.559 7.515409 19.93191 
1 1 1  -25   21   49 o   33.658   10.545   6.6088   9.3536   7.0601   15.140   6.3302   11.895   34.632   15.540   32.684   14.257 1.947300 21.08908 
1 1 1  -25   22   23 o   23.536   7.9656 -10.6734   7.4092 -24.9524   13.011  -3.8206   9.0134   22.278   11.075   24.794   11.452 -2.516224 15.93125 
1 1 1  -25   22   24 o   29.620   9.4176   0.1976   7.8221  -7.4806   14.173   3.5605   9.3800   29.010   13.707   30.230   12.918 -1.220345 18.83513 
1 1 1  -25   22   25 o   38.337   16.253   10.087   14.642   10.087   14.642   0.0000   0.0000   38.337   16.253  ?   ?       ?      ? 
1 1 1  -25   22   26 o   49.542   17.999   24.943   15.619   24.943   15.619   0.0000   0.0000   49.542   17.999  ?   ?       ?      ? 
1 1 1  -25   22   27 o   61.576   11.562   37.479   9.9977   29.884   16.557   41.837   12.543   53.161   18.618   69.991   13.714 -16.82922 23.12370 
1 1 1  -25   22   28 o   42.949   11.267   17.145   9.1161   10.165   15.182   21.080   11.400   38.305   16.403   47.592   15.451 -9.286633 22.53404 
1 1 1  -25   22   29 o   41.773   11.489   15.512   9.0927   16.632   15.388   14.911   11.271   42.549   17.212   40.997   15.223 1.551624 22.97828 
1 1 1  -25   22   30 o   46.213   11.857   20.812   9.3945   21.238   15.967   20.587   11.618   45.762   17.844   46.665   15.618 -0.9025841 23.71333 
1 1 1  -25   22   31 o   59.295   11.669   35.731   9.9952   28.558   16.368   39.997   12.622   51.306   18.457   67.284   14.285 -15.97769 23.33894 
1 1 1  -25   22   32 o   35.311   10.088   7.6332   8.6180  -8.8397   14.657   16.338   10.654   28.438   13.580   42.184   14.921 -13.74649 20.17538 
1 1 1  -25   22   33 o   28.855   9.4140  -7.3750   8.2158   9.8158   14.110 -16.1938   10.106   36.991   15.826   20.720   10.200 16.27092 18.82808 
1 1 1  -25   22   34 o   30.345   9.7681  -2.4503   8.2954   10.228   14.504  -8.6142   10.113   37.227   15.989   23.464   11.225 13.76287 19.53623 
1 1 1  -25   22   35 o   36.673   14.600   11.180   10.887   0.0000   0.0000   11.180   10.887  ?   ?    36.673   14.600      ?      ? 
1 1 1  -25   22   36 o   27.959   9.2497  -2.9347   8.2958  -5.8938   14.855  -1.5937   10.000   29.267   13.889   26.651   12.220 2.615095 18.49938 
1 1 1  -25   22   37 o   34.350   10.613   6.7678   8.9369   11.357   15.187   4.3368   11.053   37.525   16.240   31.174   13.667 6.350739 21.22520 
1 1 1  -25   22   38 o   45.041   11.525   16.589   9.3353   38.018   16.063   5.6603   11.471   57.897   18.294   32.186   14.021 25.71093 23.04904 
1 1 1  -25   22   39 o   24.729   8.3777  -9.3162   8.2776 -22.5655   14.055  -2.2797   10.242   23.215   11.535   26.243   12.152 -3.028330 16.75536 
1 1 1  -24    0    1 o  577.619   10.085  2264.88   78.884   0.0000   0.0000  2264.88   78.884  577.619   10.085  577.619   10.085 -0.000000 0.000000 
1 1 1  -24    0    2 o  129.260   6.4471  114.095   11.229   0.0000   0.0000  114.095   11.229  129.260   6.4471  129.260   6.4471 -0.000000 0.000000 
1 1 1  -24    0    3 o  294.125   9.5700  588.497   38.053   0.0000   0.0000  588.497   38.053  294.125   9.5700  294.125   9.5700 -0.000000 0.000000 
1 1 1  -24    0    4 o  481.523   12.524  1576.38   81.596   0.0000   0.0000  1576.38   81.596  481.523   12.524  481.523   12.524 -0.000000 0.000000 
1 1 1  -24    0    5 o  132.494   9.1031  120.704   16.167   0.0000   0.0000  120.704   16.167  132.494   9.1031  132.494   9.1031 -0.000000 0.000000 
1 1 1  -24    0    6 o   92.939   10.350   60.721   12.621   0.0000   0.0000   60.721   12.621   92.939   10.350   92.939   10.350 -0.000000 0.000000 
1 1 1  -24    0    8 o  261.095   6.5063  463.966   22.952  474.372   32.515  453.633   32.403  264.034   9.1121  258.155   9.2896 -0.000000 0.000000 
1 1 1  -24    0    9 o  435.836   8.2919  1289.51   48.858  1240.03   67.596  1343.63   70.702  427.078   11.699  444.593   11.754 -0.000000 0.000000 
1 1 1  -24    0   10 o  326.785   7.0892  725.921   31.321  711.246   43.772  741.317   44.835  323.395   10.010  330.176   10.041 -0.000000 0.000000 
1 1 1  -24    0   11 o   99.102   7.1391   68.871   9.2983   73.941   13.006   63.570   13.299  103.138   9.4900   95.067   10.668 -0.000000 0.000000 
1 1 1  -24    0   12 o  321.967   7.0520  704.860   30.698  720.749   43.697  689.378   43.134  325.565   9.9254  318.369   10.020 -0.000000 0.000000 
1 1 1  -24    0   13 o  101.361   7.1504   72.188   9.4413   83.708   13.374   60.742   13.330  109.994   9.1162   92.728   11.019 -0.000000 0.000000 
1 1 1  -24    0   14 o  329.793   7.1473  739.627   31.874  736.654   44.956  742.633   45.198  329.126   10.101  330.461   10.114 -0.000000 0.000000 
1 1 1  -24    0   15 o  438.929   8.3619  1309.56   49.652  1326.90   70.709  1292.69   69.739  441.800   11.830  436.058   11.821 -0.000000 0.000000 
1 1 1  -24    0   16 o  257.306   6.5734  450.678   22.852  453.324   32.279  448.020   32.357  258.071   9.2570  256.541   9.3354 -0.000000 0.000000 
1 1 1  -24    0   17 o  129.213   9.3827  114.988   16.230  114.988   16.230   0.0000   0.0000  129.213   9.3827  129.213   9.3827 -0.000000 0.000000 
1 1 1  -24    0   18 o   50.493   17.827   22.740   11.084   22.740   11.084   0.0000   0.0000   50.493   17.827   50.493   17.827 -0.000000 0.000000 
1 1 1  -24    0   19 o  136.092   6.8077  127.436   12.324  146.710   17.782  109.618   17.097  146.263   9.0507  125.921   10.172 -0.000000 0.000000 
1 1 1  -24    0   20 o  484.930   8.9651  1597.93   58.805  1641.61   84.373  1556.66   82.004  491.382   12.690  478.477   12.667 -0.000000 0.000000 
1 1 1  -24    0   21 o  303.874   7.0133  628.191   28.809  619.252   40.627  637.232   40.858  301.688   9.9619  306.061   9.8744 -0.000000 0.000000 
1 1 1  -24    0   22 o  122.002   6.9361  102.711   11.280  110.278   16.296   95.751   15.630  126.433   9.6403  117.572   9.9751 -0.000000 0.000000 
1 1 1  -24    0   23 o  592.035   10.369  2383.12   83.059  2333.09  116.109  2435.56  118.867  585.664   14.650  598.406   14.678 -0.000000 0.000000 
1 1 1  -24    0   24 o  545.052   9.7585  2018.34   71.936  1947.34   99.850  2094.95  103.725  535.080   13.791  555.025   13.810 -0.000000 0.000000 
1 1 1  -24    0   25 o  197.418   6.4688  265.750   17.212  273.288   24.838  258.787   23.874  200.117   9.2032  194.719   9.0930 -0.000000 0.000000 
1 1 1  -24    0   26 o   57.614   11.927   27.676   8.3652   37.324   12.368   19.542   11.357   69.919   14.847   45.308   18.672 -0.000000 0.000000 
1 1 1  -24    0   27 o  489.298   9.0711  1628.34   60.052  1615.83   84.894  1640.86   84.960  487.408   12.873  491.188   12.783 -0.000000 0.000000 
1 1 1  -24    0   28 o  200.854   6.5228  275.627   17.648  263.658   25.146  287.244   24.773  196.482   9.4948  205.225   8.9463 -0.000000 0.000000 
1 1 1  -24    0   29 o  613.464   10.696  2560.17   88.780  2606.85  127.221  2515.86  123.950  618.911   15.189  608.017   15.064 -0.000000 0.000000 
1 1 1  -24    0   30 o  641.563   11.084  2801.82   96.235  2810.52  136.632  2793.26  135.569  642.546   15.713  640.581   15.638 -0.000000 0.000000 
1 1 1  -24    0   31 o  1037.82   16.765  7357.74  235.479  7449.07  336.113  7269.70  330.006  1044.13   23.783  1031.51   23.636 -0.000000 0.000000 
1 1 1  -24    0   32 o  720.355   17.178  3535.10  167.473   0.0000   0.0000  3535.10  167.473  720.355   17.178  720.355   17.178 -0.000000 0.000000 
1 1 1  -24    0   33 o  272.639   9.7076  506.187   35.763   0.0000   0.0000  506.187   35.763  272.639   9.7076  272.639   9.7076 -0.000000 0.000000 
1 1 1  -24    0   34 o  1286.64   20.548 11363.58  357.845 11440.41  508.713 11288.34  503.466  1290.92   29.113  1282.36   29.005 -0.000000 0.000000 
1 1 1  -24    0   35 o  251.378   6.7947  430.501   23.062  434.424   33.083  426.793   32.166  252.482   9.7018  250.273   9.5154 -0.000000 0.000000 
1 1 1  -24    0   36 o  314.529   7.2422  673.607   30.785  653.737   43.500  693.543   43.571  309.846   10.387  319.212   10.095 -0.000000 0.000000 
1 1 1  -24    0   37 o  282.772   6.9840  544.499   26.675  547.315   38.382  541.869   37.098  283.460   10.020  282.083   9.7311 -0.000000 0.000000 
1 1 1  -24    0   38 o  366.748   7.7520  915.435   38.439  922.019   55.073  909.180   53.676  368.021   11.065  365.475   10.859 -0.000000 0.000000 
1 1 1  -24    0   39 o  189.851   6.7522  246.172   17.237  250.618   25.273  242.305   23.571  191.418   9.8016  188.284   9.2895 -0.000000 0.000000 
1 1 1  -24    0   40 o  239.428   9.8728  391.072   31.909  391.072   31.909   0.0000   0.0000  239.428   9.8728  239.428   9.8728 -0.000000 0.000000 
1 1 1  -24    0   41 o  139.656   7.3271  135.349   13.568  116.824   19.245  153.656   19.131  129.749   11.134  149.563   9.5279 -0.000000 0.000000 
1 1 1  -24    0   42 o  287.398   7.1244  562.320   27.640  573.091   40.175  552.639   38.087  289.990   10.252  284.806   9.8954 -0.000000 0.000000 
1 1 1  -24    0   43 o  122.900   7.5599  103.174   12.265  120.299   18.821   90.533   16.170  131.812   10.699  113.988   10.684 -0.000000 0.000000 
1 1 1  -24    0   44 o  678.517   11.693  3142.26  107.350  3177.91  153.581  3108.20  150.111  682.255   16.634  674.778   16.438 -0.000000 0.000000 
1 1 1  -24    0   45 o  241.643   6.9389  397.360   22.597  416.100   33.176  381.141   30.864  246.946   9.9505  236.341   9.6735 -0.000000 0.000000 
1 1 1  -24    0   46 o  442.291   12.155  1332.94   72.729   0.0000   0.0000  1332.94   72.729  442.291   12.155  442.291   12.155 -0.000000 0.000000 
1 1 1  -24    0   48 o  353.439   11.168  851.560   53.370  851.560   53.370   0.0000   0.0000  353.439   11.168  353.439   11.168 -0.000000 0.000000 
1 1 1  -24    0   49 o  388.041   8.1245  1025.70   42.609  1044.94   61.597  1008.05   59.004  391.508   11.633  384.574   11.344 -0.000000 0.000000 
1 1 1  -24    0   50 o  469.591   9.0556  1503.39   57.502  1525.03   82.836  1483.26   79.884  472.824   12.950  466.359   12.661 -0.000000 0.000000 
1 1 1  -24    0   51 o  655.136   11.492  2928.91  101.741  3046.66  148.793  2825.52  139.430  667.416   16.474  642.856   16.028 -0.000000 0.000000 
1 1 1  -24    0   52 o   62.679   18.057   32.643   13.303   0.0000   0.0000   32.643   13.303   62.679   18.057   62.679   18.057 -0.000000 0.000000 
1 1 1  -24    0   53 o  309.315   7.4580  653.089   31.151  642.198   44.774  663.308   43.368  306.754   10.801  311.876   10.287 -0.000000 0.000000 
1 1 1  -24    0   54 o  430.462   8.6259  1260.48   50.135  1330.16   73.667  1200.36   68.427  441.501   12.335  419.423   12.062 -0.000000 0.000000 
1 1 1  -24    0   55 o  557.634   10.155  2124.34   76.591  2159.26  110.223  2091.74  106.504  562.026   14.494  553.242   14.227 -0.000000 0.000000 
1 1 1  -24    0   56 o  399.477   8.2974  1089.39   44.816  1061.15   63.468  1117.48   63.292  394.257   11.904  404.697   11.562 -0.000000 0.000000 
1 1 1  -24    0   57 o  200.742   7.0834  276.776   19.103  258.251   27.350  294.423   26.694  194.016   10.472  207.468   9.5408 -0.000000 0.000000 
1 1 1  -24    0   58 o  330.182   11.061  744.473   49.367  744.473   49.367   0.0000   0.0000  330.182   11.061  330.182   11.061 -0.000000 0.000000 
1 1 1  -24    0   59 o  356.877   7.9119  869.986   38.157  854.370   54.543  884.955   53.401  353.677   11.407  360.078   10.967 -0.000000 0.000000 
1 1 1  -24    0   60 o  273.231   7.2744  509.852   26.796  513.802   39.191  506.384   36.721  274.162   10.584  272.300   9.9819 -0.000000 0.000000 
1 1 1  -24    0   61 o  367.910   8.0751  922.868   40.091  951.324   58.933  898.354   54.698  373.125   11.681  362.695   11.153 -0.000000 0.000000 
1 1 1  -24    0   62 o  206.411   7.2123  292.104   19.978  291.388   29.596  292.703   27.079  206.066   10.664  206.756   9.7138 -0.000000 0.000000 
1 1 1  -24    0   63 o  162.048   7.3410  180.265   15.893  187.519   23.842  174.463   21.322  164.902   10.775  159.194   9.9734 -0.000000 0.000000 
1 1 1  -24    0   64 o  130.891   8.1071  120.553   13.925  110.814   20.880  128.354   18.687  125.611   12.554  136.170   10.261 -0.000000 0.000000 
1 1 1  -24    0   65 o  252.156   7.2908  436.244   24.739  418.150   35.959  452.504   34.089  247.036   10.788  257.276   9.8098 -0.000000 0.000000 
1 1 1  -24    0   66 o   32.333   13.296   8.7661   9.4763   9.3920   14.711   8.3222   12.389   33.491   19.537   31.175   18.041 -0.000000 0.000000 
1 1 1  -24    0   67 o  325.974   7.7700  724.244   34.113  759.677   50.855  695.256   45.997  333.129   11.295  318.820   10.673 -0.000000 0.000000 
1 1 1  -24    0   68 o  210.407   9.8108  303.574   27.835   0.0000   0.0000  303.574   27.835  210.407   9.8108  210.407   9.8108 -0.000000 0.000000 
1 1 1  -24    0   69 o  183.253   7.5377  232.965   18.368  219.477   27.584  243.710   24.619  178.145   11.537  188.362   9.7037 -0.000000 0.000000 
1 1 1  -24    0   70 o  434.608   8.8187  1294.80   51.773  1327.05   75.525  1266.21   71.110  439.616   12.701  429.601   12.237 -0.000000 0.000000 
1 1 1  -24    0   71 o  138.426   8.0145  133.341   14.619  135.449   22.547  131.812   19.203  139.082   12.177  137.770   10.423 -0.000000 0.000000 
1 1 1  -24    0   72 o  105.310   9.3274   77.583   12.552   94.101   19.714   66.323   16.277  114.933   13.097   95.686   13.284 -0.000000 0.000000 
1 1 1  -24    0   73 o  198.596   10.822  272.351   28.927  272.351   28.927   0.0000   0.0000  198.596   10.822  198.596   10.822 -0.000000 0.000000 
1 1 1  -24    0   74 o   42.774   22.404   19.003   17.096   19.003   17.096   0.0000   0.0000   42.774   22.404   42.774   22.404 -0.000000 0.000000 
1 1 1  -24    0   75 o  166.724   7.5495  191.070   16.735  205.772   25.848  180.459   21.960  172.062   11.194  161.386   10.133 -0.000000 0.000000 
1 1 1  -24    0   76 o  147.353   7.7326  150.807   15.111  157.047   23.126  146.159   19.961  149.791   11.551  144.914   10.283 -0.000000 0.000000 
1 1 1  -24    0   77 f   85.152   11.373   56.270   11.288   51.321   17.774   59.616   14.614   79.846   18.921   90.458   12.626 -0.000000 0.000000 
1 1 1  -24    0   78 o  111.733   8.8890   90.804   12.666   81.731   19.286   97.686   16.797  105.759   14.170  117.708   10.736 -0.000000 0.000000 
1 1 1  -24    0   79 o   32.252   13.343   8.4253   9.5005   13.539   15.524   5.3628   12.013   36.707   20.622   27.798   16.939 -0.000000 0.000000 
1 1 1  -24    0   80 o   87.400   10.355   57.587   10.985   57.048   17.076   57.968   14.347   85.952   16.390   88.849   12.660 -0.000000 0.000000 
1 1 1  -24    0   81 o   94.676   9.7710   65.914   11.470   68.825   18.307   64.033   14.716   95.579   15.312   93.773   12.142 -0.000000 0.000000 
1 1 1  -24    0   82 o  113.409   10.918   91.619   16.422   0.0000   0.0000   91.619   16.422  113.409   10.918  113.409   10.918 -0.000000 0.000000 
1 1 1  -24    0   83 o  165.138   9.7813  190.686   21.713   0.0000   0.0000  190.686   21.713  165.138   9.7813  165.138   9.7813 -0.000000 0.000000 
1 1 1  -24    0   84 o   16.480   11.567  -9.8969   9.8734   0.0000   0.0000  -9.8969   9.8734   16.480   11.567   16.480   11.567 -0.000000 0.000000 
1 1 1  -24    0   85 o  164.332   9.8187  189.642   21.687   0.0000   0.0000  189.642   21.687  164.332   9.8187  164.332   9.8187 -0.000000 0.000000 
1 1 1  -24    1    1 o  322.190   4.9821  703.615   21.745  719.515   31.254  688.696   30.274  325.714   7.0808  318.665   7.0106 7.048981 9.964254 
1 1 1  -24    1    2 o  654.770   7.8823  2911.34   69.935  2933.26   99.593  2890.02   98.228  657.196   11.183  652.343   11.112 4.852966 15.76459 
1 1 1  -24    1    3 o  530.274   6.7258  1906.82   48.310  1962.79   69.597  1854.77   67.111  537.774   9.5501  522.774   9.4732 14.99976 13.45160 
1 1 1  -24    1    4 o  351.313   5.2159  837.091   24.829  822.083   35.054  852.201   35.174  348.151   7.4300  354.476   7.3223 -6.325165 10.43174 
1 1 1  -24    1    6 o  825.795   11.042  4616.54  106.699  4593.47  122.906  4687.10  214.970  822.502   11.027  829.089   19.133 -6.587463 22.08357 
1 1 1  -24    1    7 o  671.499   9.2356  2969.43   71.367  2888.83   81.138  3244.87  150.004  652.488   9.1764  690.510   16.031 -38.02209 18.47121 
1 1 1  -24    1    8 o  484.797   7.2642  1606.74   41.675  1618.98   48.427  1571.82   81.824  488.594   7.3140  481.001   12.553 7.592560 14.52848 
1 1 1  -24    1    9 o  540.910   8.3273  2004.66   57.873  2044.03   71.669  1930.87   98.112  548.819   9.6365  533.001   13.584 15.81738 16.65458 
1 1 1  -24    1   10 o  151.326   5.4421  157.234   10.455  149.746   18.102  160.982   12.808  148.562   8.9914  154.091   6.1335 -5.528687 10.88412 
1 1 1  -24    1   11 o  786.223   11.272  4226.53  113.564  4142.60  194.438  4269.98  139.907  779.719   18.402  792.727   13.024 -13.00848 22.54427 
1 1 1  -24    1   12 o  865.454   14.102  5091.86  165.392   0.0000   0.0000  5091.86  165.392  ?   ?   865.454   14.102      ?      ? 
1 1 1  -24    1   13 o  777.551   11.138  4114.21  110.640  4110.98  191.524  4115.83  135.546  776.786   18.194  778.315   12.851 -1.529236 22.27541 
1 1 1  -24    1   14 o  150.125   5.4815  155.383   10.470  145.373   17.963  160.534   12.885  146.376   9.0556  153.875   6.1791 -7.499786 10.96293 
1 1 1  -24    1   15 o  538.243   9.5770  1965.98   69.854   0.0000   0.0000  1965.98   69.854  ?   ?   538.243   9.5770      ?      ? 
1 1 1  -24    1   16 o  487.339   6.3198  1611.40   41.736  1606.54   58.981  1616.27   59.067  486.603   8.9445  488.076   8.9305 -1.472870 12.63952 
1 1 1  -24    1   17 o  656.041   7.9015  2922.05   70.242  2955.12  100.031  2889.89   98.657  659.700   11.189  652.382   11.159 7.318176 15.80302 
1 1 1  -24    1   18 o  841.105   9.7431  4808.60  111.044  4749.55  155.894  4869.41  158.212  835.868   13.763  846.343   13.795 -10.47491 19.48611 
1 1 1  -24    1   19 o  529.658   6.7196  1903.84   48.230  1905.60   68.316  1902.09   68.100  529.901   9.5136  529.415   9.4922 0.4854126 13.43914 
1 1 1  -24    1   20 o  356.743   6.5262  873.945   29.870  896.932   36.999  830.926   50.616  363.651   7.5080  349.835   10.677 13.81625 13.05235 
1 1 1  -24    1   21 o  564.643   8.6597  2177.47   62.650  2201.54   77.182  2130.97  107.265  569.498   10.001  559.787   14.140 9.710632 17.31946 
1 1 1  -24    1   22 o  666.810   8.0232  3018.92   72.487  2963.59  101.384  3076.78  103.677  660.565   11.326  673.056   11.367 -12.49023 16.04639 
1 1 1  -24    1   23 o  313.559   5.0118  666.820   21.296  664.574   30.126  669.063   30.108  313.031   7.1018  314.087   7.0738 -1.056610 10.02368 
1 1 1  -24    1   24 o  474.327   6.2602  1526.54   40.236  1547.25   57.312  1506.41   56.503  477.498   8.8571  471.155   8.8496 6.343231 12.52048 
1 1 1  -24    1   25 o  724.545   8.5991  3567.49   84.430  3581.53  119.744  3553.60  119.063  725.962   12.172  723.129   12.150 2.832397 17.19817 
1 1 1  -24    1   26 o  241.312   4.6607  394.623   15.234  411.861   21.850  378.319   21.250  246.437   6.5428  236.186   6.6394 10.25117 9.321448 
1 1 1  -24    1   27 o  386.671   5.5444  1014.37   29.052  1006.33   40.978  1022.49   41.192  385.130   7.8517  388.211   7.8301 -3.080872 11.08873 
1 1 1  -24    1   28 o  418.857   5.8067  1190.42   32.958  1201.97   46.854  1179.10   46.369  420.869   8.2152  416.846   8.2085 4.022705 11.61332 
1 1 1  -24    1   29 o  208.949   4.6071  296.089   13.044  301.204   18.531  291.066   18.364  210.739   6.4891  207.160   6.5416 3.578568 9.214162 
1 1 1  -24    1   30 o  665.852   9.8358  3008.29   83.598  2989.48  102.160  3046.41  145.441  663.218   11.367  668.486   16.055 -5.268738 19.67152 
1 1 1  -24    1   31 o  900.935   12.751  5529.77  146.563  5502.10  179.100  5585.88  255.003  898.734   14.706  903.136   20.836 -4.403015 25.50257 
1 1 1  -24    1   32 o  897.856   12.714  5484.43  145.451  5439.80  177.393  5576.00  254.083  893.550   14.650  902.162   20.783 -8.612000 25.42741 
1 1 1  -24    1   33 o  512.348   6.6306  1782.63   46.034  1759.37   64.740  1806.42   65.469  508.967   9.3864  515.729   9.3677 -6.761841 13.26119 
1 1 1  -24    1   34 o  368.751   6.6874  927.031   31.585  913.194   54.210  934.143   38.863  366.507   10.915  370.995   7.7301 -4.487152 13.37482 
1 1 1  -24    1   35 o  193.980   5.8220  263.962   14.436  227.937   23.947  284.531   18.094  183.165   9.6476  204.795   6.5198 -21.63019 11.64408 
1 1 1  -24    1   36 o  582.433   7.2884  2305.94   57.525  2311.72   81.470  2300.19   81.237  583.161   10.309  581.705   10.305 1.456177 14.57681 
1 1 1  -24    1   37 o  304.189   5.0819  627.922   20.947  619.606   29.454  636.433   29.797  302.151   7.1935  306.227   7.1803 -4.076324 10.16384 
1 1 1  -24    1   38 o  833.847   11.982  4727.02  126.944  4840.15  223.331  4673.02  154.294  839.826   19.623  827.867   13.753 11.95929 23.96316 
1 1 1  -24    1   39 o  361.163   6.7048  887.703   30.896  883.190   53.572  889.953   37.819  360.284   10.973  362.043   7.7084 -1.758850 13.40961 
1 1 1  -24    1   40 o  263.926   4.9063  472.475   17.541  490.471   25.156  455.445   24.472  268.816   6.9055  259.035   6.9715 9.780701 9.812663 
1 1 1  -24    1   41 o  454.776   8.7565  1405.42   53.965  1405.42   53.965   0.0000   0.0000  454.776   8.7565  ?   ?       ?      ? 
1 1 1  -24    1   42 o  606.639   10.699  2515.71   87.945  2475.84  123.686  2556.48  125.072  601.765   15.167  611.513   15.093 -9.748657 21.39728 
1 1 1  -24    1   43 o  414.866   5.9185  1169.25   33.267  1183.51   47.618  1155.65   46.495  417.330   8.4200  412.402   8.3196 4.927673 11.83694 
1 1 1  -24    1   44 o  339.051   5.3309  780.740   24.493  787.300   34.812  774.310   34.466  340.461   7.5454  337.642   7.5327 2.819031 10.66188 
1 1 1  -24    1   45 o  195.034   4.8045  258.155   12.695  263.679   18.188  252.905   17.729  197.067   6.8105  193.001   6.7785 4.066238 9.608927 
1 1 1  -24    1   46 o  360.997   5.5035  885.443   26.922  888.367   38.277  882.582   37.873  361.582   7.8116  360.411   7.7544 1.171814 11.00690 
1 1 1  -24    1   47 o  434.143   6.0534  1281.57   35.613  1284.41   50.533  1278.78   50.197  434.616   8.5800  433.669   8.5415 0.9470825 12.10671 
1 1 1  -24    1   48 o  170.195   4.8604  196.727   11.210  197.313   15.937  196.153   15.769  170.445   6.8999  169.946   6.8474 0.4988861 9.720900 
1 1 1  -24    1   49 o  338.709   5.3620  779.492   24.609  792.682   35.113  766.759   34.499  341.524   7.5870  335.894   7.5791 5.629822 10.72406 
1 1 1  -24    1   50 o  384.479   5.7023  1005.05   29.709  1016.76   42.260  993.614   41.772  386.693   8.0646  382.266   8.0638 4.427032 11.40454 
1 1 1  -24    1   51 o  572.508   10.270  2247.09   79.670  2215.60  111.990  2279.35  113.365  568.442   14.538  576.575   14.509 -8.132751 20.53953 
1 1 1  -24    1   52 o  214.981   7.0561  313.627   20.473  300.874   27.520  329.431   30.635  210.147   9.6636  219.815   10.284 -9.667282 14.11225 
1 1 1  -24    1   53 o  246.867   7.0839  414.603   23.643  403.513   32.180  427.612   34.852  243.326   9.7592  250.409   10.271 -7.082596 14.16785 
1 1 1  -24    1   54 o  550.860   7.0933  2069.22   52.950  2070.78   75.053  2067.69   74.714  551.059   10.050  550.661   10.012 0.3982544 14.18656 
1 1 1  -24    1   55 o  389.065   5.7570  1030.06   30.351  1037.01   43.233  1023.31   42.619  390.352   8.1728  387.778   8.1103 2.573975 11.51398 
1 1 1  -24    1   56 f  254.561   4.9977  440.520   17.237  443.554   24.643  437.615   24.120  255.413   7.1198  253.710   7.0154 1.702866 9.995305 
1 1 1  -24    1   57 o  174.706   6.2516  205.860   13.700  213.513   24.778  202.490   16.441  176.843   10.339  172.569   7.0304 4.274323 12.50323 
1 1 1  -24    1   58 o  358.438   8.0611  878.764   39.151  859.711   55.045  898.270   55.695  354.489   11.459  362.387   11.341 -7.897888 16.12224 
1 1 1  -24    1   59 o  457.862   7.8300  1433.76   45.574  1433.78   55.575  1433.74   79.636  458.605   8.9425  457.118   12.856 1.487640 15.66006 
1 1 1  -24    1   60 o  179.622   5.0477  219.511   12.281  228.281   17.437  210.878   17.300  183.194   7.0239  176.050   7.2513 7.143707 10.09536 
1 1 1  -24    1   61 o  160.032   5.3371  174.189   11.563  185.212   16.597  163.790   16.119  164.960   7.4244  155.104   7.6691 9.856522 10.67412 
1 1 1  -24    1   62 o  498.369   6.6848  1694.98   45.137  1731.46   64.629  1660.23   63.067  503.596   9.4702  493.142   9.4373 10.45480 13.36964 
1 1 1  -24    1   63 o  396.799   5.8782  1073.34   31.608  1070.78   44.756  1075.88   44.645  396.322   8.3333  397.277   8.2927 -0.9551697 11.75639 
1 1 1  -24    1   64 o  173.148   5.1056  204.075   11.979  207.105   17.078  201.141   16.806  174.412   7.2256  171.884   7.2153 2.528137 10.21123 
1 1 1  -24    1   65 f  196.847   5.0375  263.838   13.437  264.064   19.073  263.615   18.934  196.928   7.1472  196.766   7.1009 0.1615448 10.07498 
1 1 1  -24    1   66 o  373.692   5.7276  952.552   29.004  945.367   40.986  959.760   41.050  372.273   8.1244  375.111   8.0756 -2.838135 11.45522 
1 1 1  -24    1   67 o  107.446   6.1747   78.889   8.9882   80.855   12.701   76.916   12.722  108.799   8.6143  106.093   8.8487 2.706688 12.34933 
1 1 1  -24    1   68 o   59.108   10.330   24.313   9.3410   7.9821   13.306   40.184   13.117   41.920   16.305   76.296   12.687 -34.37652 20.65907 
1 1 1  -24    1   69 o  304.049   5.3689  630.959   22.119  629.974   31.525  631.913   31.041  303.797   7.6575  304.302   7.5275 -0.5046692 10.73783 
1 1 1  -24    1   70 o  223.206   5.0725  339.932   15.342  342.600   21.811  337.320   21.585  224.070   7.1832  222.341   7.1640 1.728958 10.14497 
1 1 1  -24    1   71 o  283.085   5.2594  547.487   20.175  541.748   28.495  553.255   28.569  281.588   7.4676  284.581   7.4080 -2.993591 10.51870 
1 1 1  -24    1   72 o  254.819   5.1659  443.831   17.837  436.427   25.198  451.268   25.253  252.673   7.3590  256.966   7.2521 -4.292862 10.33189 
1 1 1  -24    1   73 o  283.224   7.7293  555.109   29.657  537.128   41.692  573.528   42.196  278.519   11.046  287.930   10.814 -9.410767 15.45859 
1 1 1  -24    1   74 o   97.979   8.4533   66.373   10.342   65.579   12.394   68.192   18.763   97.538   9.3768   98.420   14.068 -0.8818130 16.90663 
1 1 1  -24    1   75 o  153.096   5.3062  160.777   11.004  166.418   15.586  155.171   15.537  155.804   7.3821  150.388   7.6240 5.415604 10.61231 
1 1 1  -24    1   76 o   89.638   6.6120   55.665   8.0101   60.305   11.331   51.030   11.325   93.455   8.9472   85.821   9.7378 7.634178 13.22409 
1 1 1  -24    1   77 o  165.647   5.1546  188.506   11.571  188.662   16.337  188.348   16.390  165.721   7.2747  165.573   7.3046 0.1474457 10.30919 
1 1 1  -24    1   78 o  269.820   5.2120  501.015   19.057  504.814   27.017  497.253   26.885  270.844   7.3610  268.797   7.3807 2.046936 10.42395 
1 1 1  -24    1   79 o   89.780   6.5818   56.204   7.9816   61.586   11.327   50.895   11.249   94.166   8.8762   85.395   9.7209 8.770821 13.16369 
1 1 1  -24    1   80 o   97.444   6.0799   65.908   8.0110   60.129   11.124   72.133   11.546   92.945   8.8319  101.942   8.3580 -8.997307 12.15971 
1 1 1  -24    1   81 o  142.117   6.1766  140.041   11.442  137.876   14.306  143.886   19.064  141.141   7.4796  143.094   9.8314 -1.952408 12.35318 
1 1 1  -24    1   82 o   68.374   10.094   35.480   9.0506   32.721   12.883   38.168   12.717   65.399   14.873   71.350   13.650 -5.950645 20.18734 
1 1 1  -24    1   83 o   75.013   9.3550   41.785   9.2838   39.928   13.375   43.512   12.896   72.539   14.115   77.487   12.282 -4.948448 18.70991 
1 1 1  -24    1   84 o  157.557   7.0100  176.188   14.948  188.872   21.628  164.586   20.684  163.071   9.7870  152.044   10.039 11.02690 14.02010 
1 1 1  -24    1   85 o   45.887   11.119   15.578   8.3334   18.285   12.330   13.301   11.307   48.656   16.082   43.117   15.358 5.538845 22.23742 
1 1 1  -24    2    1 o  663.768   7.9691  2992.92   71.680  2979.74  101.603  3005.99  101.141  662.305   11.320  665.231   11.219 -2.925659 15.93828 
1 1 1  -24    2    2 o  860.188   12.204  5039.75  133.789  5050.94  232.847  5034.24  163.467  860.056   19.978  860.320   14.021 -0.2639771 24.40759 
1 1 1  -24    2    3 o  983.635   13.787  6642.78  173.816  6479.72  296.968  6727.75  214.372  973.215   22.517  994.055   15.914 -20.84070 27.57322 
1 1 1  -24    2    4 o  526.922   8.2295  1891.20   55.265  1870.71   95.902  1901.38   67.621  524.550   13.491  529.294   9.4277 -4.744141 16.45904 
1 1 1  -24    2    5 o  283.082   5.7848  552.432   21.151  574.571   26.497  513.553   35.114  291.082   6.7175  275.082   9.4198 16.00027 11.56966 
1 1 1  -24    2    6 o  453.692   7.3033  1380.61   42.222  1349.27   51.304  1446.38   74.325  445.952   8.4894  461.433   11.886 -15.48062 14.60665 
1 1 1  -24    2    7 o  282.505   5.7244  540.756   20.835  539.334   25.729  543.464   35.512  282.017   6.7323  282.992   9.2601 -0.9752808 11.44874 
1 1 1  -24    2    8 o  367.856   10.507  918.671   52.378   0.0000   0.0000  918.671   52.378  ?   ?   367.856   10.507      ?      ? 
1 1 1  -24    2    9 o  460.675   6.9745  1434.50   37.886  1428.46   43.811  1452.42   75.442  458.953   7.0442  462.398   12.040 -3.445404 13.94903 
1 1 1  -24    2   10 o  289.064   5.5664  585.985   19.301  610.122   22.804  525.005   36.245  299.994   5.6093  278.134   9.6164 21.86029 11.13282 
1 1 1  -24    2   11 o  525.598   6.6534  1874.60   47.388  1887.18   67.363  1862.27   66.674  527.343   9.4264  523.854   9.3922 3.489075 13.30677 
1 1 1  -24    2   12 o  155.098   4.3912  163.131   9.2264  161.771   13.183  164.436   12.917  154.463   6.2980  155.733   6.1208 -1.269882 8.782349 
1 1 1  -24    2   13 o  510.944   8.0556  1792.92   52.780  1709.80   89.598  1837.09   65.315  501.577   13.182  520.312   9.2633 -18.73468 16.11120 
1 1 1  -24    2   14 o  294.029   5.9680  589.232   22.305  578.607   38.838  594.461   27.247  291.977   9.8159  296.081   6.7909 -4.103516 11.93598 
1 1 1  -24    2   15 o  457.201   7.4674  1416.79   43.451  1425.92   75.943  1412.35   52.980  458.141   12.232  456.262   8.5687 1.879303 14.93488 
1 1 1  -24    2   16 o  366.936   5.3304  912.865   26.500  930.594   37.951  895.995   37.020  370.410   7.5605  363.462   7.5161 6.948761 10.66081 
1 1 1  -24    2   17 o  282.623   4.7662  541.474   18.250  550.314   26.137  533.062   25.495  284.872   6.7705  280.373   6.7103 4.498901 9.532443 
1 1 1  -24    2   18 o  462.093   6.1140  1448.22   38.278  1477.93   54.804  1419.91   53.486  466.718   8.6651  457.468   8.6277 9.250641 12.22791 
1 1 1  -24    2   19 o  282.370   4.7937  540.623   18.342  548.588   26.120  532.874   25.762  284.422   6.7768  280.319   6.7817 4.103302 9.587332 
1 1 1  -24    2   20 o  572.535   7.1180  2225.16   55.225  2239.11   78.444  2211.45   77.760  574.312   10.079  570.757   10.054 3.555115 14.23605 
1 1 1  -24    2   21 o  998.910   11.384  6794.40  154.105  6796.50  218.072  6792.30  217.805  999.062   16.107  998.758   16.093 0.3043823 22.76875 
1 1 1  -24    2   22 o  879.746   12.494  5313.19  141.124  5395.40  174.472  5157.63  240.007  890.537   14.457  868.954   20.382 21.58307 24.98879 
1 1 1  -24    2   23 o  659.092   9.8104  2992.07   83.264  3080.43  103.658  2831.38  139.789  673.397   11.359  644.787   15.998 28.60974 19.62087 
1 1 1  -24    2   24 o  712.176   8.4733  3441.91   81.714  3576.44  118.354  3319.35  112.958  725.446   12.039  698.906   11.927 26.54102 16.94651 
1 1 1  -24    2   25 o  617.452   7.5594  2588.93   63.245  2625.24   90.232  2553.86   88.673  621.704   10.710  613.199   10.671 8.504517 15.11875 
1 1 1  -24    2   26 o  462.384   6.1575  1450.61   38.577  1421.30   54.054  1481.04   55.072  457.624   8.7164  467.144   8.6996 -9.520111 12.31496 
1 1 1  -24    2   27 o  646.130   7.8428  2836.41   68.669  2853.80   97.552  2819.33   96.680  648.091   11.107  644.170   11.075 3.920959 15.68557 
1 1 1  -24    2   28 o  665.663   9.8173  2987.15   83.121  2934.23  100.951  3098.54  146.471  657.090   11.337  674.237   16.031 -17.14624 19.63458 
1 1 1  -24    2   29 o  1076.67   15.017  7953.00  206.915  7981.54  254.221  7896.99  356.147  1081.45   17.347  1071.88   24.519 9.566162 30.03476 
1 1 1  -24    2   30 o  695.229   8.3392  3285.83   78.560  3243.54  110.314  3329.35  111.906  690.692   11.786  699.766   11.801 -9.074402 16.67841 
1 1 1  -24    2   31 o  285.097   4.9296  551.407   19.044  552.671   27.090  550.172   26.778  285.418   7.0039  284.776   6.9389 0.6427307 9.859113 
1 1 1  -24    2   32 o  565.951   7.1210  2175.91   54.610  2198.61   77.808  2153.87   76.664  568.857   10.093  563.046   10.048 5.811401 14.24198 
1 1 1  -24    2   33 o  422.802   5.8874  1213.53   33.731  1220.89   47.925  1206.30   47.484  424.072   8.3395  421.533   8.3125 2.538483 11.77473 
1 1 1  -24    2   34 o  469.994   6.2756  1500.08   39.968  1509.21   56.774  1491.11   56.277  471.410   8.8873  468.577   8.8627 2.832489 12.55116 
1 1 1  -24    2   35 f  443.328   7.4340  1339.23   42.159  1326.84   72.643  1345.51   51.770  441.532   12.141  445.125   8.5825 -3.592590 14.86806 
1 1 1  -24    2   36 o  398.515   6.9611  1084.62   35.852  1097.14   44.596  1061.75   60.285  401.969   8.1869  395.061   11.261 6.908234 13.92211 
1 1 1  -24    2   37 o  658.166   11.335  2959.78  101.091  2915.40  142.300  3005.00  143.638  653.169   16.077  663.163   15.983 -9.994019 22.66991 
1 1 1  -24    2   38 o  317.393   6.3271  680.792   25.551  695.077   44.834  673.920   31.094  319.698   10.349  315.088   7.2823 4.610535 12.65420 
1 1 1  -24    2   39 o  322.217   5.1932  704.854   22.675  697.683   32.059  712.032   32.076  320.574   7.3798  323.860   7.3086 -3.285950 10.38642 
1 1 1  -24    2   40 o  289.710   5.0119  569.648   19.672  551.823   27.622  587.994   28.022  285.107   7.1493  294.313   7.0261 -9.205597 10.02387 
1 1 1  -24    2   41 o  544.785   8.5909  2011.12   59.437  1990.13   72.211  2055.24  104.662  540.934   9.8510  548.636   14.077 -7.701355 17.18180 
1 1 1  -24    2   42 o  481.595   7.9711  1592.30   49.064  1618.85   60.392  1540.76   84.150  487.972   9.1327  475.219   13.067 12.75345 15.94215 
1 1 1  -24    2   43 o  213.278   4.7809  308.663   13.814  317.795   19.766  299.941   19.316  216.362   6.7413  210.194   6.7812 6.168015 9.561861 
1 1 1  -24    2   44 o  231.567   4.8047  364.089   15.076  358.580   21.318  369.602   21.324  229.811   6.8452  233.323   6.7441 -3.511978 9.609360 
1 1 1  -24    2   45 o  318.898   7.3693  690.765   31.846  690.765   31.846   0.0000   0.0000  318.898   7.3693  ?   ?       ?      ? 
1 1 1  -24    2   46 o  372.023   5.5718  940.225   28.085  958.745   40.149  922.479   39.301  375.608   7.8878  368.438   7.8715 7.170197 11.14356 
1 1 1  -24    2   47 o  472.599   6.3705  1519.11   40.794  1538.61   58.256  1500.34   57.143  475.568   9.0395  469.630   8.9789 5.938324 12.74102 
1 1 1  -24    2   48 o  222.755   4.8728  336.898   14.706  343.897   21.056  330.232   20.549  225.012   6.9054  220.499   6.8770 4.513336 9.745610 
1 1 1  -24    2   49 o  596.307   7.4836  2423.57   60.471  2400.54   85.082  2447.08   85.962  593.446   10.580  599.168   10.587 -5.722595 14.96716 
1 1 1  -24    2   50 o  208.424   5.7186  289.307   15.422  275.856   18.954  315.655   26.527  201.504   6.9412  215.344   9.0902 -13.84024 11.43726 
1 1 1  -24    2   51 o  472.809   6.4010  1521.68   41.009  1538.82   58.426  1505.03   57.575  475.430   9.0686  470.188   9.0360 5.241699 12.80191 
1 1 1  -24    2   52 o  215.242   5.9344  319.634   16.339  301.602   27.789  329.162   20.199  210.379   9.7473  220.105   6.7720 -9.726105 11.86883 
1 1 1  -24    2   53 o  139.963   6.1045  128.001   11.013  150.532   19.364  117.229   13.389  148.623   9.6143  131.303   7.5248 17.32045 12.20891 
1 1 1  -24    2   54 o  151.733   5.0520  156.644   10.377  152.888   14.904  160.179   14.458  149.952   7.3342  153.514   6.9497 -3.561218 10.10394 
1 1 1  -24    2   55 o  140.720   5.1508  134.809   9.8108  129.297   14.008  140.116   13.745  137.879   7.4971  143.561   7.0652 -5.682831 10.30161 
1 1 1  -24    2   56 o  373.964   7.1846  956.986   33.689  947.547   60.264  961.277   40.630  372.105   11.951  375.823   7.9778 -3.717743 14.36928 
1 1 1  -24    2   57 o  484.337   13.261  1609.74   87.035   0.0000   0.0000  1609.74   87.035  ?   ?   484.337   13.261      ?      ? 
1 1 1  -24    2   58 o  218.674   6.3433  331.583   17.605  342.858   21.630  309.451   30.305  224.521   7.1090  212.826   10.508 11.69492 12.68669 
1 1 1  -24    2   59 o  251.741   6.3217  430.853   20.140  428.675   24.422  435.482   35.605  251.026   7.1793  252.457   10.407 -1.430618 12.64337 
1 1 1  -24    2   60 o  281.214   5.2265  538.226   19.916  534.246   28.276  542.145   28.056  280.173   7.4474  282.256   7.3349 -2.082428 10.45297 
1 1 1  -24    2   61 o  355.463   5.6339  860.683   27.138  855.436   38.429  865.903   38.329  354.374   8.0023  356.552   7.9326 -2.177917 11.26785 
1 1 1  -24    2   62 f  336.741   5.4848  771.456   25.015  803.435   36.065  741.807   34.726  343.461   7.7486  330.022   7.7648 13.43900 10.96965 
1 1 1  -24    2   63 o  364.406   5.6592  904.893   27.945  895.166   39.406  914.732   39.636  362.431   8.0234  366.381   7.9831 -3.950104 11.31831 
1 1 1  -24    2   64 o  283.053   5.2145  545.669   19.999  535.799   28.268  555.558   28.298  280.478   7.4373  285.628   7.3109 -5.149750 10.42895 
1 1 1  -24    2   65 o  443.192   6.2389  1341.08   37.468  1345.49   53.265  1336.76   52.715  443.901   8.8547  442.483   8.7914 1.418640 12.47773 
1 1 1  -24    2   66 o  360.339   5.6446  885.466   27.559  898.613   39.353  872.812   38.608  362.958   8.0009  357.720   7.9643 5.237579 11.28913 
1 1 1  -24    2   67 o   80.394   8.7769   46.766   8.8687   51.698   11.378   39.133   14.156   86.896   9.6627   73.891   14.655 13.00482 17.55388 
1 1 1  -24    2   68 o  251.099   6.1634  430.103   20.035  434.556   33.818  427.695   24.869  251.764   9.9123  250.433   7.3279 1.330978 12.32682 
1 1 1  -24    2   69 o  223.581   5.1337  340.892   15.550  346.772   22.311  335.338   21.685  225.446   7.3028  221.716   7.2173 3.730194 10.26746 
1 1 1  -24    2   70 o  298.633   5.3187  608.794   21.518  628.752   30.814  589.798   30.062  303.416   7.4941  293.850   7.5495 9.566528 10.63750 
1 1 1  -24    2   71 o  433.587   6.2074  1289.04   36.472  1280.94   51.586  1297.13   51.573  432.208   8.8075  434.965   8.7495 -2.757233 12.41475 
1 1 1  -24    2   72 o  144.995   5.4766  143.355   10.738  152.462   15.825  135.583   14.619  149.232   7.8251  140.759   7.6641 8.473465 10.95312 
1 1 1  -24    2   73 o  199.025   7.7239  273.536   20.798  295.268   30.296  254.166   28.603  206.518   10.825  191.533   11.020 14.98604 15.44779 
1 1 1  -24    2   74 o  104.898   8.2677   78.197   10.650   80.567   12.752   72.734   19.360  108.214   8.6961  101.582   14.064 6.631744 16.53540 
1 1 1  -24    2   75 o  134.486   5.5000  124.274   10.007  115.422   14.082  133.304   14.223  129.589   8.0186  139.383   7.5300 -9.793915 11.00000 
1 1 1  -24    2   76 o  108.438   5.9276   80.951   8.7007   86.538   12.525   75.740   12.096  112.079   8.2463  104.797   8.5173 7.282486 11.85526 
1 1 1  -24    2   77 o  110.744   5.7982   84.637   8.6972   83.645   12.452   85.581   12.153  110.075   8.3477  111.414   8.0493 -1.338875 11.59637 
1 1 1  -24    2   78 o  230.728   5.0778  366.306   15.874  359.872   22.502  372.679   22.397  228.672   7.2615  232.785   7.0999 -4.112762 10.15570 
1 1 1  -24    2   79 o  131.229   5.4490  119.182   9.6176  101.396   13.437  137.865   13.772  121.006   8.1943  141.452   7.1846 -20.44556 10.89793 
1 1 1  -24    2   80 o  154.974   5.1312  165.630   10.770  172.518   15.530  159.249   14.948  158.077   7.2499  151.871   7.2632 6.205688 10.26231 
1 1 1  -24    2   81 o   63.577   10.097   29.664   8.8271   42.088   13.122   19.395   11.930   76.427   12.670   50.727   15.725 25.69921 20.19433 
1 1 1  -24    2   82 o  181.433   6.8753  232.462   16.876  218.987   23.971  245.704   23.763  175.968   10.053  186.899   9.3824 -10.93100 13.75070 
1 1 1  -24    2   83 o  156.558   7.0633  174.491   14.900  154.135   21.089  194.778   21.053  146.973   10.589  166.142   9.3511 -19.16916 14.12662 
1 1 1  -24    2   84 o  146.273   7.1315  152.279   14.121  161.102   20.502  144.316   19.478  150.310   10.065  142.236   10.106 8.074600 14.26296 
1 1 1  -24    2   85 o   93.929   8.1777   64.208   10.399   68.166   14.903   60.452   14.517   96.867   11.353   90.991   11.773 5.875816 16.35546 
1 1 1  -24    3    2 o  748.932   8.8079  3809.99   89.357  3692.98  124.373  3934.83  128.467  737.057   12.452  760.807   12.460 -23.74988 17.61583 
1 1 1  -24    3    3 o  338.214   6.1764  772.102   26.982  762.654   33.338  790.043   45.939  335.309   7.3370  341.118   9.9379 -5.809387 12.35287 
1 1 1  -24    3    4 o  955.458   12.593  6215.43  141.180  6205.54  163.008  6245.12  282.428  955.467   12.590  955.448   21.813 0.1940918E-01 25.18547 
1 1 1  -24    3    5 o  189.323   4.7707  235.372   10.879  226.806   12.635  259.929   21.393  182.910   5.0976  195.735   8.0654 -12.82501 9.541302 
1 1 1  -24    3    6 o  762.098   10.248  3823.31   89.715  3715.36  101.898  4195.50  189.208  739.746   10.165  784.450   17.799 -44.70435 20.49685 
1 1 1  -24    3    7 o  491.755   7.2682  1635.17   42.191  1628.27   48.817  1655.57   83.871  489.957   7.3524  493.554   12.540 -3.596527 14.53643 
1 1 1  -24    3    8 o  689.010   9.4265  3187.74   75.866  3149.68   87.164  3306.70  154.086  681.215   9.4421  696.805   16.318 -15.58984 18.85294 
1 1 1  -24    3    9 f  606.694   8.5128  2476.13   60.565  2451.88   69.752  2550.43  122.095  601.131   8.5626  612.257   14.716 -11.12604 17.02554 
1 1 1  -24    3   10 o  506.511   7.3978  1691.23   43.580  1645.43   49.788  1841.30   90.126  492.531   7.4594  520.491   12.778 -27.96008 14.79569 
1 1 1  -24    3   11 o  392.862   6.3205  1049.95   29.568  1052.83   34.430  1041.87   57.712  394.032   6.4480  391.691   10.873 2.340820 12.64102 
1 1 1  -24    3   12 o  583.985   8.7588  2289.53   65.033  2238.57   78.863  2397.83  114.963  574.232   10.135  593.739   14.288 -19.50665 17.51755 
1 1 1  -24    3   13 o  390.166   5.5021  1032.60   29.090  1017.62   41.009  1047.78   41.270  387.315   7.8133  393.017   7.7490 -5.701111 11.00427 
1 1 1  -24    3   14 o  498.287   6.4193  1684.37   43.338  1714.88   62.049  1655.32   60.556  502.687   9.1087  493.886   9.0479 8.800873 12.83869 
1 1 1  -24    3   15 o  613.268   7.4911  2553.74   62.254  2559.93   88.381  2547.65   87.704  614.002   10.622  612.535   10.566 1.466736 14.98212 
1 1 1  -24    3   16 f  683.930   10.047  3179.24   87.521  3188.96  152.559  3174.47  106.853  684.257   16.453  683.603   11.535 0.6545410 20.09318 
1 1 1  -24    3   17 o  496.347   7.9177  1685.27   50.230  1636.96   86.258  1710.06   61.787  490.720   12.971  501.974   9.0831 -11.25357 15.83535 
1 1 1  -24    3   18 o  754.996   8.8783  3873.28   90.823  3932.68  129.782  3816.26  127.145  760.661   12.590  749.331   12.521 11.33051 17.75659 
1 1 1  -24    3   19 o  191.240   4.4654  248.210   11.563  239.641   16.487  256.504   16.221  187.985   6.4719  194.494   6.1543 -6.509476 8.930860 
1 1 1  -24    3   20 o  971.641   11.092  6428.65  146.053  6453.75  207.207  6403.87  205.900  973.519   15.706  969.763   15.668 3.756897 22.18495 
1 1 1  -24    3   21 o  352.577   5.2549  843.266   25.106  833.273   35.475  853.292   35.536  350.483   7.4692  354.672   7.3937 -4.189209 10.50978 
1 1 1  -24    3   22 o  778.196   9.1277  4117.74   96.257  4121.28  136.284  4114.21  135.973  778.528   12.918  777.864   12.899 0.6640015 18.25541 
1 1 1  -24    3   23 o  437.027   7.2952  1279.28   40.393  1248.17   48.800  1346.98   71.985  428.873   8.3967  445.181   11.932 -16.30835 14.59050 
1 1 1  -24    3   24 o  727.388   12.231  3596.87  120.562  3596.87  120.562   0.0000   0.0000  727.388   12.231  ?   ?       ?      ? 
1 1 1  -24    3   25 o  631.713   9.3983  2715.24   76.095  2716.15   93.527  2713.47  130.879  632.281   10.916  631.144   15.302 1.137573 18.79660 
1 1 1  -24    3   26 o  662.952   9.7696  2985.56   82.880  2973.92  101.594  3008.72  143.307  661.508   11.333  664.396   15.917 -2.888672 19.53929 
1 1 1  -24    3   27 o  392.041   5.6097  1042.93   29.801  1047.25   42.398  1038.72   41.897  392.840   7.9643  391.241   7.9023 1.598877 11.21948 
1 1 1  -24    3   28 o  853.041   9.9114  4954.70  114.574  4937.38  161.841  4972.10  162.223  851.544   14.025  854.538   14.009 -2.993469 19.82271 
1 1 1  -24    3   29 o  368.628   5.4435  922.098   27.191  926.190   38.664  918.093   38.248  369.436   7.7231  367.821   7.6734 1.614868 10.88699 
1 1 1  -24    3   30 o  293.030   4.9718  582.410   19.740  594.510   28.187  570.764   27.654  296.016   7.0268  290.044   7.0357 5.972443 9.943684 
1 1 1  -24    3   31 o  897.324   12.719  5520.51  146.332  5554.25  180.242  5455.25  250.634  902.674   14.735  891.975   20.735 10.69885 25.43727 
1 1 1  -24    3   32 o  424.678   8.2567  1226.76   47.508  1229.42   67.889  1224.22   66.506  425.113   11.784  424.244   11.568 0.8688354 16.51344 
1 1 1  -24    3   33 o  263.342   5.9777  476.496   20.106  453.826   34.395  488.266   24.782  258.429   9.8213  268.256   6.8171 -9.827148 11.95540 
1 1 1  -24    3   34 o  442.621   7.4110  1324.80   41.747  1352.92   73.216  1311.25   50.818  445.829   12.119  439.414   8.5342 6.415039 14.82209 
1 1 1  -24    3   35 o  384.971   7.9117  1006.21   41.275   0.0000   0.0000  1006.21   41.275  ?   ?   384.971   7.9117      ?      ? 
1 1 1  -24    3   36 o  400.945   7.0531  1074.45   35.643  1142.88   64.285  1044.08   42.829  409.774   11.577  392.116   8.0601 17.65735 14.10614 
1 1 1  -24    3   37 o  178.516   4.7316  216.458   11.430  202.710   16.148  230.258   16.179  172.822   6.8951  184.209   6.4814 -11.38684 9.463150 
1 1 1  -24    3   38 o  247.297   4.8033  415.064   16.093  415.313   23.002  414.825   22.525  247.365   6.8618  247.229   6.7233 0.1367798 9.606614 
1 1 1  -24    3   39 o  317.794   5.1657  685.451   22.242  696.707   31.853  674.742   31.070  320.336   7.3378  315.252   7.2729 5.084320 10.33138 
1 1 1  -24    3   40 o  428.455   5.9597  1247.18   34.601  1258.89   49.274  1235.79   48.598  430.436   8.4475  426.474   8.4090 3.962738 11.91939 
1 1 1  -24    3   41 o  127.920   5.1036  111.161   8.8416  109.328   12.661  112.906   12.352  126.885   7.3635  128.955   7.0685 -2.070526 10.20710 
1 1 1  -24    3   42 o  306.547   6.3969  639.758   24.855  641.289   30.235  636.568   43.652  307.302   7.2604  305.791   10.534 1.510498 12.79384 
1 1 1  -24    3   43 o  371.616   5.5524  938.089   27.959  952.161   39.857  924.457   39.230  374.359   7.8566  368.874   7.8479 5.485229 11.10473 
1 1 1  -24    3   44 o  164.151   4.8417  183.230   10.753  172.489   15.286  193.753   15.129  159.370   7.0779  168.932   6.6086 -9.562546 9.683468 
1 1 1  -24    3   45 o  227.582   4.7979  351.592   14.794  357.125   21.190  346.331   20.663  229.326   6.8185  225.839   6.7518 3.487244 9.595774 
1 1 1  -24    3   46 o  383.970   5.6552  1002.01   29.423  984.587   41.386  1019.82   41.839  380.592   8.0244  387.349   7.9707 -6.757324 11.31034 
1 1 1  -24    3   47 o  125.087   5.2066  106.317   8.8249  105.903   12.544  106.723   12.417  124.843   7.4147  125.330   7.3113 -0.4872665 10.41311 
1 1 1  -24    3   48 o  212.589   5.7355  308.686   15.866  312.368   19.902  302.268   26.280  214.443   6.8485  210.736   9.2023 3.707611 11.47104 
1 1 1  -24    3   49 o  428.942   7.3065  1259.24   40.442  1271.33   50.197  1236.88   68.269  432.283   8.5690  425.600   11.837 6.683105 14.61304 
1 1 1  -24    3   50 o  418.831   5.9482  1193.40   33.758  1175.58   47.603  1211.44   47.881  415.677   8.4508  421.984   8.3731 -6.307098 11.89643 
1 1 1  -24    3   51 o  177.681   4.8714  214.599   11.725  209.817   16.675  219.276   16.491  175.714   7.0028  179.648   6.7738 -3.934174 9.742888 
1 1 1  -24    3   52 o  456.669   7.6517  1410.98   44.443  1459.23   78.243  1388.00   54.000  461.829   12.502  451.510   8.8256 10.31943 15.30335 
1 1 1  -24    3   53 o  116.289   6.5756   88.688   9.8618  103.282   17.290   81.650   12.006  123.036   10.370  109.543   8.0881 13.49257 13.15114 
1 1 1  -24    3   54 o  180.671   4.9184  221.690   12.036  228.653   17.349  215.228   16.712  183.402   6.9806  177.941   6.9305 5.461258 9.836726 
1 1 1  -24    3   55 o  356.934   6.8487  862.473   30.885  886.558   54.994  851.377   37.328  360.138   11.268  353.729   7.7871 6.408630 13.69732 
1 1 1  -24    3   56 o  411.154   7.3236  1143.00   38.016  1185.32   67.918  1123.69   45.875  416.086   12.045  406.221   8.3336 9.864227 14.64723 
1 1 1  -24    3   57 o  430.379   6.1014  1260.60   35.564  1306.07   51.351  1218.69   49.303  437.822   8.6550  422.936   8.6023 14.88586 12.20277 
1 1 1  -24    3   58 o  339.750   6.8393  792.334   29.584  801.384   36.230  774.224   51.249  343.106   7.7921  336.394   11.242 6.711884 13.67861 
1 1 1  -24    3   59 o  100.023   9.4169   77.641   10.608   89.050   12.799   52.597   18.963  114.330   8.2607   85.716   16.926 28.61393 18.83386 
1 1 1  -24    3   60 o  128.525   8.0567  112.525   14.032   0.0000   0.0000  112.525   14.032  ?   ?   128.525   8.0567      ?      ? 
1 1 1  -24    3   61 o  135.602   5.4748  125.285   10.054  123.359   14.415  127.109   14.029  134.572   7.9045  136.631   7.5771 -2.059616 10.94955 
1 1 1  -24    3   62 o  196.990   6.0336  261.608   15.349  274.537   26.286  254.919   18.908  200.460   9.6764  193.520   7.2100 6.940109 12.06717 
1 1 1  -24    3   63 o  329.116   6.8299  739.766   28.615  738.814   34.927  741.711   49.904  329.278   7.8274  328.954   11.195 0.3238220 13.65983 
1 1 1  -24    3   64 o  139.758   6.9678  137.615   12.229  145.249   14.984  122.384   21.165  146.006   7.5730  133.510   11.698 12.49667 13.93550 
1 1 1  -24    3   65 f  436.415   6.1992  1300.46   36.659  1276.10   51.483  1325.51   52.210  432.261   8.7890  440.568   8.7450 -8.306641 12.39844 
1 1 1  -24    3   66 o  283.305   6.2530  548.639   22.971  549.029   28.615  547.932   38.524  283.798   7.4404  282.811   10.052 0.9861145 12.50604 
1 1 1  -24    3   67 o  246.648   6.0878  414.267   19.497  410.520   24.268  421.087   32.742  245.380   7.2981  247.916   9.7459 -2.536072 12.17558 
1 1 1  -24    3   68 o  284.450   6.3220  547.467   23.015  572.961   40.123  534.966   28.097  288.881   10.249  280.018   7.4043 8.863495 12.64404 
1 1 1  -24    3   69 f  113.060   5.9915   87.442   9.1760   88.222   13.187   86.710   12.776  113.535   8.5710  112.584   8.3742 0.9511948 11.98290 
1 1 1  -24    3   70 o  198.605   5.0964  269.483   13.707  258.472   19.412  280.431   19.357  194.524   7.3640  202.687   7.0474 -8.163513 10.19286 
1 1 1  -24    3   71 o  365.106   5.7105  912.794   28.252  918.728   40.200  907.003   39.713  366.267   8.0993  363.945   8.0522 2.322296 11.42091 
1 1 1  -24    3   72 o  127.072   7.5972  114.764   11.691  104.488   21.638  119.000   13.894  122.331   13.053  131.813   7.7782 -9.482735 15.19450 
1 1 1  -24    3   73 o  134.436   7.1921  126.695   12.166  129.919   14.812  120.009   21.330  137.623   7.9422  131.248   11.993 6.374802 14.38416 
1 1 1  -24    3   74 o   68.788   8.5553   33.644   7.7478   28.543   10.825   39.002   11.094   62.661   13.166   74.914   10.928 -12.25262 17.11069 
1 1 1  -24    3   75 o  232.679   5.1007  371.292   16.081  373.928   22.964  368.755   22.526  233.472   7.2581  231.886   7.1685 1.585556 10.20138 
1 1 1  -24    3   76 o  264.161   5.1949  479.466   18.595  474.196   26.343  484.701   26.251  262.687   7.4003  265.635   7.2926 -2.947510 10.38973 
1 1 1  -24    3   77 o  129.942   5.5341  116.509   9.7104  104.367   13.614  129.085   13.854  122.943   8.1713  136.941   7.4658 -13.99811 11.06830 
1 1 1  -24    3   78 o  138.442   5.3722  132.344   10.067  126.060   14.302  138.518   14.174  135.111   7.8111  141.774   7.3776 -6.662857 10.74440 
1 1 1  -24    3   79 o  207.714   5.0624  297.527   14.245  296.628   20.384  298.385   19.916  207.359   7.2540  208.069   7.0635 -0.7092285 10.12489 
1 1 1  -24    3   80 o   77.467   7.0972   42.365   7.4193   38.829   10.632   45.722   10.358   74.146   10.581   80.789   9.4613 -6.642548 14.19445 
1 1 1  -24    3   81 o  169.006   6.8886  200.712   15.759  210.781   22.961  191.745   21.668  172.969   9.7958  165.043   9.6879 7.925964 13.77723 
1 1 1  -24    3   82 o  161.134   6.9770  182.563   15.180  205.117   22.406  163.427   20.639  170.389   9.7036  151.880   10.028 18.50949 13.95394 
1 1 1  -24    3   83 o  124.579   7.3465  110.182   12.364  122.666   18.202   99.486   16.847  131.187   10.239  117.971   10.538 13.21617 14.69304 
1 1 1  -24    3   84 o  111.502   7.6072   89.587   11.457   88.126   16.792   90.859   15.672  110.358   11.228  112.646   10.266 -2.287292 15.21432 
1 1 1  -24    3   85 o  100.844   7.9687   73.500   10.835   84.466   15.977   64.163   14.743  107.976   10.919   93.713   11.609 14.26286 15.93730 
1 1 1  -24    4    1 o  594.290   7.3066  2393.36   58.752  2501.97   86.068  2298.59   80.397  606.865   10.466  581.716   10.199 25.14923 14.61310 
1 1 1  -24    4    2 o  446.504   6.7674  1350.19   35.839  1346.40   41.587  1361.15   70.651  445.520   6.8883  447.488   11.651 -1.968719 13.53472 
1 1 1  -24    4    3 o  618.584   10.618  2599.46   89.010  2599.46   89.010   0.0000   0.0000  618.584   10.618  ?   ?       ?      ? 
1 1 1  -24    4    4 o  512.194   7.5630  1779.86   52.494  1779.86   52.494   0.0000   0.0000  512.194   7.5630  ?   ?       ?      ? 
1 1 1  -24    4    5 o  468.109   6.9887  1464.02   38.462  1440.48   44.285  1536.28   77.595  460.823   7.0915  475.396   12.045 -14.57278 13.97733 
1 1 1  -24    4    6 o  382.895   6.1455  980.651   27.844  965.925   32.174  1024.59   55.574  377.403   6.2910  388.387   10.559 -10.98395 12.29099 
1 1 1  -24    4    7 o  811.401   10.861  4452.21  103.257  4421.15  118.967  4547.07  207.903  806.737   10.882  816.066   18.800 -9.328918 21.72216 
1 1 1  -24    4    8 o  323.503   5.6372  701.241   21.758  691.679   25.261  728.723   42.826  319.387   5.8365  327.619   9.6462 -8.232819 11.27449 
1 1 1  -24    4    9 o  288.197   5.4786  580.343   19.078  602.445   22.617  525.821   35.523  298.083   5.5990  278.311   9.4187 19.77148 10.95721 
1 1 1  -24    4   10 o  260.641   5.2116  463.297   16.452  466.377   19.366  455.310   31.187  262.274   5.4489  259.007   8.8854 3.266388 10.42311 
1 1 1  -24    4   11 o  989.884   13.011  6561.63  149.323  6447.85  170.768  6931.22  307.770  973.780   12.941  1005.99   22.576 -32.20831 26.02211 
1 1 1  -24    4   12 o  429.934   6.6141  1221.35   33.453  1189.01   38.437  1322.35   67.926  418.702   6.7743  441.167   11.362 -22.46555 13.22811 
1 1 1  -24    4   13 o  977.488   12.899  6559.04  149.156  6601.26  173.294  6438.37  292.983  985.286   12.979  969.690   22.296 15.59534 25.79854 
1 1 1  -24    4   14 o  263.024   5.3180  478.220   16.977  489.918   20.105  449.147   31.694  268.810   5.5191  257.239   9.0921 11.57092 10.63610 
1 1 1  -24    4   15 o  299.051   4.8538  606.502   19.668  610.929   28.059  602.227   27.576  300.122   6.8992  297.980   6.8292 2.142059 9.707531 
1 1 1  -24    4   16 o  325.826   5.0327  719.894   22.217  730.239   31.818  710.052   31.035  328.108   7.1560  323.545   7.0785 4.563141 10.06539 
1 1 1  -24    4   17 o  806.065   11.567  4442.69  119.225  4383.46  205.331  4472.81  146.440  801.213   18.911  810.916   13.326 -9.703735 23.13494 
1 1 1  -24    4   18 o  373.181   6.6778  947.441   31.667  939.739   55.309  951.197   38.625  371.922   10.974  374.439   7.6120 -2.517883 13.35558 
1 1 1  -24    4   19 o  483.486   7.6516  1565.32   47.181  1522.78   57.322  1654.68   83.078  473.648   8.9307  493.324   12.427 -19.67624 15.30328 
1 1 1  -24    4   20 o  510.955   7.9892  1783.98   52.611  1806.73   65.256  1741.73   88.930  515.870   9.3346  506.041   12.968 9.828949 15.97838 
1 1 1  -24    4   21 o  615.276   9.1721  2569.73   72.312  2558.80   88.752  2591.32  124.721  613.719   10.671  616.833   14.921 -3.114258 18.34418 
1 1 1  -24    4   22 o  461.226   7.4446  1445.87   44.199  1447.44   54.582  1442.87   75.331  461.779   8.7224  460.673   12.067 1.106018 14.88926 
1 1 1  -24    4   23 o  609.845   7.4863  2526.61   61.866  2541.14   88.012  2512.42   86.979  611.573   10.620  608.117   10.555 3.455505 14.97262 
1 1 1  -24    4   24 o  352.329   6.5909  840.294   29.479  835.477   35.836  850.375   51.845  350.902   7.5363  353.755   10.815 -2.852234 13.18174 
1 1 1  -24    4   25 o  524.198   8.2697  1852.02   54.934  1823.04   66.517  1914.20   97.423  518.116   9.4738  530.281   13.557 -12.16547 16.53949 
1 1 1  -24    4   26 o  560.898   7.0559  2136.94   53.628  2108.19   75.365  2166.43   76.326  557.075   9.9833  564.720   9.9737 -7.645020 14.11173 
1 1 1  -24    4   27 o  180.387   6.2282  221.335   15.195  212.601   21.906  229.433   21.093  176.937   9.1362  183.837   8.4671 -6.899963 12.45639 
1 1 1  -24    4   28 o  527.211   8.2458  1886.53   55.504  1901.98   96.423  1878.86   67.878  528.494   13.464  525.929   9.5239 2.565308 16.49160 
1 1 1  -24    4   29 o  212.177   4.6735  305.283   13.431  309.585   19.343  301.277   18.665  213.617   6.6820  210.737   6.5359 2.879776 9.347004 
1 1 1  -24    4   30 o  384.078   5.5713  1001.38   28.996  989.981   40.993  1012.79   41.021  381.887   7.9212  386.270   7.8366 -4.382690 11.14259 
1 1 1  -24    4   31 o  168.521   5.8367  199.100   12.428  174.628   21.201  211.910   15.339  160.306   9.7596  176.737   6.4046 -16.43095 11.67339 
1 1 1  -24    4   32 o  443.051   7.3895  1332.71   41.773  1340.32   72.622  1328.95   51.066  443.739   12.077  442.363   8.5187 1.375244 14.77907 
1 1 1  -24    4   33 o  889.126   12.638  5318.35  141.536  5668.40  255.516  5163.39  170.000  908.258   20.760  869.995   14.419 38.26270 25.27637 
1 1 1  -24    4   34 o  317.662   5.1336  684.752   22.094  694.103   31.646  675.859   30.861  319.773   7.3028  315.550   7.2170 4.223663 10.26719 
1 1 1  -24    4   35 o  406.156   5.7818  1118.82   31.797  1158.29   46.120  1083.07   43.897  412.966   8.2412  399.345   8.1116 13.62070 11.56352 
1 1 1  -24    4   36 o  300.995   6.2265  617.571   23.783  609.947   41.600  621.272   28.987  299.460   10.251  302.530   7.0706 -3.070343 12.45306 
1 1 1  -24    4   37 o  310.305   5.1054  653.563   21.464  660.664   30.731  646.800   29.992  311.946   7.2698  308.664   7.1702 3.281952 10.21081 
1 1 1  -24    4   38 o  396.489   5.7029  1067.90   30.640  1066.01   43.538  1069.75   43.128  396.136   8.1104  396.842   8.0196 -0.7059631 11.40582 
1 1 1  -24    4   39 o  158.970   4.7880  171.504   10.305  172.607   14.916  170.496   14.254  159.453   6.9031  158.487   6.6369 0.9666138 9.576084 
1 1 1  -24    4   40 o  370.656   5.5303  933.101   27.775  943.849   39.673  922.771   38.896  372.745   7.8542  368.568   7.7877 4.177551 11.06064 
1 1 1  -24    4   41 o  445.932   6.1220  1351.45   36.989  1370.58   52.881  1333.12   51.759  449.016   8.6907  442.848   8.6247 6.167084 12.24396 
1 1 1  -24    4   42 o  259.302   6.2090  463.496   20.419  475.822   25.011  438.865   35.355  264.709   6.9724  253.895   10.276 10.81383 12.41802 
1 1 1  -24    4   43 o  336.822   5.3327  770.677   24.339  776.809   34.654  764.708   34.192  338.142   7.5626  335.503   7.5204 2.639130 10.66535 
1 1 1  -24    4   44 o  475.611   6.3859  1538.79   41.158  1530.81   58.192  1546.78   58.220  474.372   9.0523  476.850   9.0096 -2.477417 12.77177 
1 1 1  -24    4   45 o  311.494   5.1757  658.753   21.840  678.656   31.377  640.049   30.417  316.054   7.3261  306.934   7.3129 9.119904 10.35133 
1 1 1  -24    4   46 o  252.916   5.8224  432.395   19.123  426.145   23.769  443.863   32.196  250.464   7.0030  255.367   9.3038 -4.903458 11.64483 
1 1 1  -24    4   47 o  371.527   6.7170  935.857   32.183  926.960   39.724  952.848   54.898  369.242   7.9389  373.812   10.837 -4.569855 13.43403 
1 1 1  -24    4   48 o  269.465   5.0100  492.984   18.287  508.872   26.310  478.135   25.436  273.660   7.0947  265.269   7.0757 8.391693 10.02002 
1 1 1  -24    4   49 o  109.796   5.5225   82.068   8.2071   78.419   11.698   85.606   11.517  107.377   8.0391  112.214   7.5739 -4.836830 11.04500 
1 1 1  -24    4   50 o  180.403   4.8766  221.239   11.917  215.283   16.920  227.101   16.787  177.984   7.0153  182.822   6.7758 -4.838104 9.753231 
1 1 1  -24    4   51 o  181.051   4.8890  222.956   11.981  210.607   16.954  235.273   16.933  176.024   7.1075  186.078   6.7150 -10.05396 9.777949 
1 1 1  -24    4   52 o   96.666   7.3963   65.358   9.0325   59.186   15.549   68.502   11.097   93.001   12.337  100.331   8.1619 -7.329208 14.79270 
1 1 1  -24    4   53 o  206.596   6.0086  289.344   15.747  294.211   27.758  287.034   19.121  207.697   9.8624  205.494   6.8664 2.202911 12.01722 
1 1 1  -24    4   54 o  147.894   6.5060  153.130   12.028  138.240   21.098  160.299   14.640  142.242   10.946  153.546   7.0361 -11.30418 13.01201 
1 1 1  -24    4   55 o  248.729   5.0186  420.455   16.909  430.086   24.327  411.453   23.520  251.478   7.1383  245.981   7.0560 5.497528 10.03711 
1 1 1  -24    4   56 o  253.809   5.0288  438.135   17.277  411.146   24.245  465.980   24.626  245.845   7.2774  261.773   6.9422 -15.92773 10.05756 
1 1 1  -24    4   57 o   94.859   6.3726   61.882   8.1057   52.278   11.569   71.141   11.360   87.516   9.7551  102.201   8.2024 -14.68481 12.74524 
1 1 1  -24    4   58 o  229.339   6.3380  358.663   18.394  358.653   22.334  358.684   32.433  229.597   7.1781  229.081   10.448 0.5161896 12.67596 
1 1 1  -24    4   59 o  148.509   7.0168  144.660   12.899  136.599   15.196  165.441   24.399  141.620   7.9184  155.398   11.586 -13.77815 14.03359 
1 1 1  -24    4   60 o   95.384   6.4390   62.608   8.1986   50.013   11.541   75.438   11.648   85.552   9.9551  105.216   8.1696 -19.66383 12.87810 
1 1 1  -24    4   61 o  210.690   4.9923  302.200   14.249  293.781   20.194  310.546   20.107  207.752   7.1730  213.628   6.9456 -5.876083 9.984696 
1 1 1  -24    4   62 o  226.824   5.0388  350.324   15.484  345.773   22.061  354.742   21.737  225.357   7.2240  228.291   7.0264 -2.933762 10.07756 
1 1 1  -24    4   63 o  147.106   5.3905  147.658   10.728  138.419   15.222  156.775   15.120  142.499   7.8828  151.713   7.3546 -9.214050 10.78097 
1 1 1  -24    4   64 o  207.512   5.0538  293.305   14.211  292.976   20.198  293.627   19.998  207.391   7.1867  207.634   7.1074 -0.2423706 10.10764 
1 1 1  -24    4   65 o  171.013   6.2779  205.166   13.953  221.852   17.851  178.961   22.370  180.425   7.3009  161.601   10.215 18.82372 12.55575 
1 1 1  -24    4   66 o  201.071   6.0523  275.822   15.863  274.607   19.868  277.958   26.348  200.692   7.3054  201.449   9.6515 -0.7567596 12.10455 
1 1 1  -24    4   67 o   91.339   7.8919   57.730   9.3142   56.327   15.634   58.502   11.597   90.254   12.782   92.423   9.2595 -2.168938 15.78385 
1 1 1  -24    4   68 f  192.429   7.2897  255.596   18.920  269.983   26.039  239.505   27.538  198.350   9.6873  186.508   10.896 11.84247 14.57934 
1 1 1  -24    4   69 o  140.806   7.1128  135.683   12.551  134.592   15.090  138.132   22.609  140.285   7.9375  141.327   11.805 -1.041626 14.22564 
1 1 1  -24    4   70 o  277.022   5.2710  523.755   19.770  551.092   28.634  498.850   27.331  283.922   7.4421  270.122   7.4664 13.80042 10.54191 
1 1 1  -24    4   71 o  143.162   7.1302  145.829   12.469  130.602   22.659  152.442   14.933  137.045   12.201  149.278   7.3817 -12.23308 14.26032 
1 1 1  -24    4   72 o  336.560   6.9522  782.343   29.548  780.273   52.192  783.319   35.846  335.102   11.493  338.018   7.8256 -2.916382 13.90446 
1 1 1  -24    4   73 o   75.210   10.208   41.634   9.3209   43.084   11.184   38.336   16.867   78.832   10.469   71.588   17.527 7.244217 20.41551 
1 1 1  -24    4   74 o  135.910   5.4467  126.760   10.025  133.441   14.402  120.481   13.962  139.399   7.6241  132.421   7.7806 6.978363 10.89331 
1 1 1  -24    4   75 o  117.168   5.6815   94.695   9.0055   89.492   12.839   99.734   12.635  113.927   8.3159  120.408   7.7436 -6.481628 11.36299 
1 1 1  -24    4   76 o  146.085   5.2305  146.852   10.350  145.229   14.815  148.399   14.465  145.257   7.5262  146.912   7.2655 -1.655045 10.46091 
1 1 1  -24    4   77 o  112.667   5.7039   87.579   8.6971   94.157   12.563   81.525   12.052  116.757   7.9404  108.577   8.1908 8.179993 11.40786 
1 1 1  -24    4   78 o  186.870   5.0642  240.565   12.820  246.022   18.427  235.446   17.848  188.907   7.1981  184.833   7.1255 4.073349 10.12844 
1 1 1  -24    4   79 o  189.539   5.0676  247.929   13.012  252.620   18.679  243.506   18.138  191.260   7.2068  187.818   7.1262 3.442307 10.13516 
1 1 1  -24    4   80 o  155.524   6.1743  170.562   12.551  175.596   15.943  162.356   20.356  159.233   7.3885  151.815   9.8943 7.417938 12.34859 
1 1 1  -24    4   81 o  118.820   7.5477  100.887   12.085   89.980   17.208  111.501   16.975  112.097   11.328  125.544   9.9777 -13.44680 15.09548 
1 1 1  -24    4   82 o   56.151   11.062   24.772   8.7786   21.880   12.695   27.422   12.152   52.954   16.190   59.347   15.079 -6.393093 22.12490 
1 1 1  -24    4   83 o  149.733   7.0628  159.614   14.316  169.993   20.690  150.081   19.829  154.473   9.8838  144.993   10.092 9.479797 14.12565 
1 1 1  -24    4   84 o   42.461   9.1408   7.1312   7.9504 -13.8404   11.190   28.510   11.298   24.386   11.704   60.536   14.044 -36.14957 18.28150 
1 1 1  -24    5    1 o  774.692   10.442  4130.62   96.107  4174.85  112.037  4007.40  186.995  783.753   10.549  765.631   18.023 18.12225 20.88312 
1 1 1  -24    5    2 o  468.345   6.9299  1458.29   38.189  1427.17   43.936  1554.43   77.231  458.637   7.0691  478.053   11.922 -19.41626 13.85986 
1 1 1  -24    5    3 o  538.903   7.6981  1937.61   48.680  1902.41   55.972  2046.93   98.635  529.451   7.8012  548.356   13.273 -18.90460 15.39622 
1 1 1  -24    5    4 o  578.702   8.1765  2280.28   56.118  2283.76   65.191  2270.33  110.271  580.043   8.2936  577.360   14.094 2.682739 16.35309 
1 1 1  -24    5    5 o  618.447   8.5986  2568.65   62.411  2536.56   71.864  2667.10  125.888  611.263   8.6757  625.631   14.849 -14.36853 17.19729 
1 1 1  -24    5    6 o  536.744   7.8469  1955.07   57.075  1955.07   57.075   0.0000   0.0000  536.744   7.8469  ?   ?       ?      ? 
1 1 1  -24    5    7 o  671.867   9.3268  3065.24   84.918  3065.24   84.918   0.0000   0.0000  671.867   9.3268  ?   ?       ?      ? 
1 1 1  -24    5    8 o  315.311   5.5663  675.100   21.129  675.596   24.744  673.765   40.600  315.636   5.7849  314.986   9.5116 0.6499939 11.13268 
1 1 1  -24    5    9 o  182.680   4.8615  228.864   10.949  232.477   13.070  220.363   20.048  185.169   5.2088  180.191   8.2101 4.978149 9.723061 
1 1 1  -24    5   10 o  511.971   7.9474  1797.44   52.547  1835.94   65.482  1727.80   88.065  519.989   9.2928  503.952   12.895 16.03726 15.89474 
1 1 1  -24    5   11 o  401.027   6.7150  1084.22   34.604  1067.73   42.482  1116.71   59.652  396.666   7.9031  405.389   10.859 -8.723053 13.43007 
1 1 1  -24    5   12 o  226.644   5.3868  355.368   15.930  376.744   20.337  321.426   25.627  235.685   6.3675  217.603   8.6904 18.08217 10.77354 
1 1 1  -24    5   13 o  398.759   6.6961  1066.07   34.248  1038.55   41.861  1121.77   59.557  391.208   7.8963  406.310   10.817 -15.10196 13.39227 
1 1 1  -24    5   14 o  514.531   7.9996  1817.34   53.230  1861.75   66.493  1738.09   88.821  523.622   9.3708  505.439   12.968 18.18295 15.99916 
1 1 1  -24    5   15 o  184.951   5.1395  231.128   12.478  228.320   15.748  235.864   20.452  183.477   6.3339  186.425   8.0956 -2.948212 10.27897 
1 1 1  -24    5   16 o  315.515   5.6886  683.112   21.783  692.771   25.724  658.632   40.952  319.616   5.9392  311.414   9.7041 8.201660 11.37729 
1 1 1  -24    5   17 o  694.032   10.107  3260.95   89.625  3222.69  109.484  3338.69  156.048  688.471   11.735  699.593   16.460 -11.12134 20.21490 
1 1 1  -24    5   18 o  546.521   8.4721  2010.93   58.483  2086.84  104.460  1976.28   70.581  553.611   13.924  539.430   9.6554 14.18036 16.94416 
1 1 1  -24    5   19 o  619.658   9.3191  2593.43   73.101  2668.90  129.755  2558.34   88.478  625.734   15.302  613.582   10.641 12.15179 18.63830 
1 1 1  -24    5   20 o  590.616   7.2993  2369.87   58.417  2388.62   83.232  2351.66   82.009  592.912   10.359  588.319   10.286 4.592896 14.59863 
1 1 1  -24    5   21 o  537.342   6.8168  1961.21   49.637  1945.99   70.127  1976.49   70.268  535.249   9.6682  539.435   9.6124 -4.185791 13.63352 
1 1 1  -24    5   22 o  488.925   7.7370  1621.35   48.691  1613.49   60.039  1636.47   83.226  487.440   9.0892  490.409   12.523 -2.968994 15.47405 
1 1 1  -24    5   23 o  806.050   11.558  4428.20  118.891  4454.04  206.527  4415.40  145.401  806.817   18.889  805.283   13.324 1.533875 23.11580 
1 1 1  -24    5   24 o  572.184   8.8398  2239.89   64.729  2264.62   79.654  2191.81  111.069  577.281   10.182  567.087   14.453 10.19464 17.67956 
1 1 1  -24    5   25 o  118.592   6.7304  100.000   9.9021  107.953   12.100   83.876   17.229  126.133   7.0792  111.051   11.449 15.08185 13.46072 
1 1 1  -24    5   26 o  507.706   6.5732  1748.65   45.191  1813.13   65.464  1689.96   62.461  516.626   9.3507  498.785   9.2409 17.84097 13.14644 
1 1 1  -24    5   27 o  301.818   6.0493  620.261   23.345  613.558   40.250  623.658   28.658  300.474   9.8851  303.163   6.9757 -2.688599 12.09858 
1 1 1  -24    5   28 o  265.449   5.8498  482.013   19.836  467.692   34.095  489.341   24.388  262.349   9.5901  268.549   6.7014 -6.200348 11.69956 
1 1 1  -24    5   29 o  398.906   6.9178  1079.54   35.201  1087.35   61.251  1075.69   43.015  399.776   11.306  398.036   7.9746 1.739960 13.83558 
1 1 1  -24    5   30 o  704.981   8.4437  3381.45   80.640  3459.16  115.898  3308.52  112.272  712.813   11.998  697.150   11.884 15.66223 16.88749 
1 1 1  -24    5   31 o  362.510   5.4236  892.149   26.638  867.438   37.497  917.325   37.849  357.436   7.7413  367.585   7.5982 -10.14819 10.84715 
1 1 1  -24    5   32 o  302.686   5.0395  621.516   20.661  633.105   29.790  610.775   28.679  305.397   7.1981  299.974   7.0550 5.423462 10.07902 
1 1 1  -24    5   33 o  173.459   4.7142  204.301   11.064  202.237   16.057  206.167   15.267  172.616   6.8642  174.302   6.4635 -1.685959 9.428366 
1 1 1  -24    5   34 o  372.452   5.5121  941.967   27.816  947.274   39.763  936.881   38.924  373.473   7.8567  371.431   7.7332 2.040985 11.02411 
1 1 1  -24    5   35 o  325.101   5.2140  717.111   22.955  731.258   33.191  704.139   31.782  328.164   7.4636  322.038   7.2826 6.125946 10.42791 
1 1 1  -24    5   36 o  238.730   5.9909  396.667   18.053  360.605   31.183  414.848   22.141  230.236   9.9944  247.223   6.6087 -16.98666 11.98179 
1 1 1  -24    5   37 o  343.994   5.3356  803.626   24.869  805.831   35.505  801.502   34.843  344.451   7.6064  343.537   7.4845 0.9136658 10.67121 
1 1 1  -24    5   38 o  287.553   5.0134  561.298   19.529  567.097   28.064  555.854   27.191  288.986   7.1663  286.120   7.0129 2.865631 10.02682 
1 1 1  -24    5   39 o  554.389   7.0534  2091.26   52.984  2114.45   75.651  2068.93   74.229  557.396   10.015  551.383   9.9344 6.013611 14.10674 
1 1 1  -24    5   40 o  446.851   6.1228  1357.45   37.073  1366.06   52.824  1349.10   52.044  448.240   8.6964  445.463   8.6214 2.777191 12.24563 
1 1 1  -24    5   41 o  195.261   4.7905  259.177   12.659  244.882   17.958  273.297   17.848  189.891   6.9786  200.632   6.5648 -10.74120 9.581044 
1 1 1  -24    5   42 o  443.363   7.5876  1346.09   42.937  1359.70   52.687  1319.18   74.088  447.142   8.6950  439.584   12.437 7.557526 15.17525 
1 1 1  -24    5   43 o  158.116   4.8749  169.706   10.439  172.454   15.073  167.174   14.472  159.340   6.9805  156.892   6.8067 2.448593 9.749808 
1 1 1  -24    5   44 o   88.972   6.9074   53.468   8.2268   51.260   10.730   56.617   12.814   86.790   9.1235   91.154   10.373 -4.364357 13.81475 
1 1 1  -24    5   45 o  199.877   5.7573  276.722   15.037  292.989   19.232  251.128   24.122  207.683   6.8333  192.071   9.2677 15.61133 11.51452 
1 1 1  -24    5   46 o  147.162   4.9698  147.115   9.9076  148.239   14.222  146.056   13.810  147.704   7.1053  146.621   6.9505 1.082840 9.939593 
1 1 1  -24    5   47 o  211.158   4.8134  302.868   13.771  305.894   19.691  299.971   19.267  212.187   6.8480  210.129   6.7661 2.057510 9.626811 
1 1 1  -24    5   48 o  186.047   4.8565  235.057   12.240  240.484   17.592  229.965   17.041  188.124   6.9007  183.969   6.8355 4.155350 9.713084 
1 1 1  -24    5   49 o  223.214   4.8848  338.457   14.771  344.053   21.209  333.185   20.585  225.000   6.9558  221.427   6.8603 3.573105 9.769666 
1 1 1  -24    5   50 o  312.965   5.2330  666.048   22.192  660.096   31.470  671.937   31.299  311.566   7.4535  314.364   7.3472 -2.798004 10.46596 
1 1 1  -24    5   51 o  341.021   5.4157  791.052   25.022  768.733   35.251  813.716   35.523  336.159   7.7384  345.883   7.5788 -9.723602 10.83143 
1 1 1  -24    5   52 o  309.833   7.3438  652.862   30.834   0.0000   0.0000  652.862   30.834  ?   ?   309.833   7.3438      ?      ? 
1 1 1  -24    5   53 f  162.380   6.5975  186.371   13.119  163.863   23.667  196.356   15.763  154.811   11.281  169.950   6.8443 -15.13924 13.19496 
1 1 1  -24    5   54 o  153.883   5.1014  161.159   10.631  157.550   15.197  164.618   14.877  152.182   7.3691  155.584   7.0563 -3.401993 10.20270 
1 1 1  -24    5   55 o  188.548   4.9549  241.952   12.650  232.818   17.980  250.907   17.803  185.005   7.1716  192.091   6.8390 -7.086639 9.909743 
1 1 1  -24    5   56 o  115.141   5.7541   91.182   8.8509   73.842   12.542  108.384   12.492  104.071   8.8932  126.211   7.3040 -22.13999 11.50813 
1 1 1  -24    5   57 o  151.086   5.3919  155.146   11.029  161.240   16.029  149.666   15.199  153.893   7.6859  148.279   7.5642 5.614838 10.78377 
1 1 1  -24    5   58 o  175.844   6.4810  204.318   14.472  192.838   17.409  229.993   26.035  168.291   7.6336  183.396   10.476 -15.10550 12.96203 
1 1 1  -24    5   59 o  131.351   5.5128  118.171   9.7549  105.818   14.003  129.819   13.597  124.599   8.2930  138.102   7.2655 -13.50380 11.02551 
1 1 1  -24    5   60 o  136.497   5.3008  126.969   9.7946  124.603   14.101  129.174   13.615  135.249   7.6937  137.744   7.2939 -2.495163 10.60161 
1 1 1  -24    5   61 o  159.579   5.1899  173.750   11.201  163.383   15.985  183.752   15.700  154.862   7.6169  164.296   7.0516 -9.433655 10.37989 
1 1 1  -24    5   62 o  263.073   5.1245  471.312   18.266  474.000   26.079  468.722   25.593  263.800   7.2951  262.345   7.1990 1.454834 10.24910 
1 1 1  -24    5   63 o  329.803   5.4715  741.554   24.451  725.874   34.446  757.477   34.713  326.275   7.7907  333.330   7.6848 -7.055298 10.94306 
1 1 1  -24    5   64 o  309.839   6.4100  657.073   25.818  658.835   32.280  653.943   43.015  310.815   7.6638  308.863   10.277 1.952850 12.82004 
1 1 1  -24    5   65 o  169.825   5.2068  196.735   11.971  186.244   16.871  207.375   16.991  165.238   7.5342  174.412   7.1887 -9.174255 10.41353 
1 1 1  -24    5   66 o  149.317   5.3200  151.784   10.751  161.272   15.653  143.310   14.794  153.725   7.5138  144.909   7.5334 8.816132 10.64001 
1 1 1  -24    5   67 o   80.629   9.1355   48.167   8.9111   39.123   15.217   52.886   10.993   73.426   15.765   87.831   9.2361 -14.40524 18.27093 
1 1 1  -24    5   68 o   78.230   8.2358   45.287   7.9659   28.139   11.583   60.677   10.973   62.351   14.046   94.109   8.6041 -31.75842 16.47152 
1 1 1  -24    5   69 o  201.846   5.1014  278.638   13.942  269.824   19.910  287.117   19.528  198.668   7.3954  205.024   7.0288 -6.355621 10.20271 
1 1 1  -24    5   70 o   87.303   8.7111   51.557   9.4518   56.826   17.580   49.414   11.210   89.925   14.426   84.680   9.7687 5.244507 17.42228 
1 1 1  -24    5   71 o   84.846   7.1435   49.473   8.1902   53.702   12.143   45.944   11.094   88.143   10.166   81.548   10.039 6.594955 14.28704 
1 1 1  -24    5   72 o  126.813   8.2574  125.254   12.365  149.043   15.271   79.952   21.073  147.398   7.6452  106.229   14.639 41.16872 16.51489 
1 1 1  -24    5   73 o  113.699   8.5558   91.965   12.956  102.196   17.509   79.584   19.261  121.217   10.659  106.181   13.386 15.03583 17.11156 
1 1 1  -24    5   74 o  160.558   6.7290  182.526   13.592  189.778   16.616  167.861   23.628  166.206   7.3773  154.910   11.256 11.29620 13.45791 
1 1 1  -24    5   75 o   47.291   11.135   14.640   7.9155   12.297   9.5747   19.699   14.069   42.316   14.178   52.265   17.174 -9.948948 22.26999 
1 1 1  -24    5   76 o  156.943   5.1505  169.648   10.950  164.359   15.472  174.956   15.500  154.454   7.3918  159.432   7.1742 -4.977905 10.30091 
1 1 1  -24    5   77 o  126.118   5.5278  109.989   9.4342  102.521   13.228  117.720   13.459  121.694   8.0211  130.542   7.6083 -8.848030 11.05553 
1 1 1  -24    5   78 o   61.138   8.5378   27.400   6.9082   21.810   9.7990   32.924   9.7406   53.950   13.450   68.326   10.520 -14.37512 17.07555 
1 1 1  -24    5   79 o  222.932   6.0841  347.660   17.593  349.902   21.980  343.665   29.347  224.897   7.2121  220.967   9.8005 3.929245 12.16816 
1 1 1  -24    5   80 o   71.467   9.9574   38.437   9.4304   32.591   13.411   44.155   13.263   64.868   15.473   78.066   12.537 -13.19741 19.91484 
1 1 1  -24    5   81 o   96.662   8.2779   66.976   10.734   81.031   15.854   55.082   14.585  106.305   11.006   87.019   12.368 19.28606 16.55571 
1 1 1  -24    5   82 o   60.814   10.518   29.292   9.0136   17.298   12.796   41.103   12.699   47.862   16.388   73.765   13.187 -25.90297 21.03549 
1 1 1  -24    5   83 o   99.230   8.0195   71.043   10.639   87.923   15.709   56.740   14.460  110.532   10.487   87.927   12.135 22.60517 16.03896 
1 1 1  -24    5   84 o   39.809   14.946   10.501   10.923   0.0000   0.0000   10.501   10.923  ?   ?    39.809   14.946      ?      ? 
1 1 1  -24    6    1 o  402.596   6.7372  1102.76   35.330  1106.34   44.278  1096.49   58.614  403.658   8.0945  401.534   10.772 2.123718 13.47435 
1 1 1  -24    6    2 o  174.116   7.6297  205.788   18.002   0.0000   0.0000  205.788   18.002  ?   ?   174.116   7.6297      ?      ? 
1 1 1  -24    6    3 o  404.229   6.3191  1114.66   30.686  1120.28   35.933  1099.52   58.977  406.351   6.5254  402.108   10.823 4.242889 12.63818 
1 1 1  -24    6    4 o  280.720   5.2195  534.309   17.823  533.644   20.995  536.024   33.723  280.510   5.5231  280.931   8.8582 -0.4205933 10.43895 
1 1 1  -24    6    5 o  186.602   4.7602  241.770   10.997  250.452   13.240  222.458   19.746  192.184   5.0837  181.020   8.0495 11.16435 9.520408 
1 1 1  -24    6    6 o  166.463   4.6122  185.996   9.6146  182.861   11.519  193.192   17.456  164.215   5.1765  168.711   7.6350 -4.496170 9.224392 
1 1 1  -24    6    7 o  222.649   5.2833  336.163   15.941  336.163   15.941   0.0000   0.0000  222.649   5.2833  ?   ?       ?      ? 
1 1 1  -24    6    8 o  191.770   5.2080  249.376   13.534  249.376   13.534   0.0000   0.0000  191.770   5.2080  ?   ?       ?      ? 
1 1 1  -24    6    9 o  403.333   6.3623  1108.80   30.811  1113.46   36.061  1096.22   59.302  405.126   6.5684  401.540   10.898 3.585785 12.72469 
1 1 1  -24    6   10 o  599.850   8.4633  2473.28   60.643  2502.30   70.914  2394.30  116.990  607.058   8.6202  592.642   14.567 14.41595 16.92660 
1 1 1  -24    6   11 f  211.051   4.9461  305.159   12.888  309.458   15.393  295.084   23.567  213.623   5.3174  208.480   8.3416 5.143677 9.892296 
1 1 1  -24    6   12 o  754.329   10.211  3878.90   91.032  3879.39  105.536  3877.50  179.928  755.519   10.308  753.139   17.630 2.379944 20.42194 
1 1 1  -24    6   13 o  209.459   4.9538  300.531   12.838  304.780   15.357  290.674   23.391  212.002   5.3456  206.916   8.3419 5.085602 9.907694 
1 1 1  -24    6   14 o  603.513   8.5037  2484.63   61.080  2491.79   71.118  2464.51  119.247  605.775   8.6633  601.251   14.636 4.523621 17.00738 
1 1 1  -24    6   15 f  403.903   6.4308  1122.32   31.374  1140.18   36.961  1076.26   59.345  409.952   6.6532  397.854   11.007 12.09833 12.86169 
1 1 1  -24    6   16 o  186.207   4.8561  233.923   11.311  231.821   13.566  238.716   20.489  184.891   5.4143  187.523   8.0629 -2.632416 9.712113 
1 1 1  -24    6   17 o  212.349   5.0151  308.982   13.218  313.598   15.852  298.451   23.942  215.042   5.4398  209.657   8.4269 5.384827 10.03015 
1 1 1  -24    6   18 o  169.485   8.0883  195.010   18.577   0.0000   0.0000  195.010   18.577  ?   ?   169.485   8.0883      ?      ? 
1 1 1  -24    6   19 o  192.377   5.4947  251.875   14.190  256.289   18.913  246.190   21.464  194.336   7.1817  190.419   8.3180 3.917389 10.98934 
1 1 1  -24    6   20 o  282.633   4.8440  540.677   18.526  567.337   27.101  517.288   25.384  289.154   6.9162  276.113   6.7841 13.04092 9.688009 
1 1 1  -24    6   21 o  413.404   6.9879  1162.48   36.932  1158.41   63.808  1164.54   45.290  412.652   11.411  414.156   8.0696 -1.504150 13.97575 
1 1 1  -24    6   22 o  179.082   5.3166  209.324   12.137  242.095   21.788  194.581   14.614  188.809   8.5157  169.355   6.3678 19.45406 10.63324 
1 1 1  -24    6   23 o  416.301   7.0375  1177.06   37.401  1180.75   64.912  1175.23   45.760  416.569   11.499  416.033   8.1166 0.5362244 14.07495 
1 1 1  -24    6   24 o  845.366   12.084  4877.40  130.322  4920.62  226.636  4856.05  159.291  846.821   19.749  843.912   13.929 2.908875 24.16716 
1 1 1  -24    6   25 o  324.656   6.3602  709.190   26.244  696.569   31.848  735.895   46.326  320.344   7.3363  328.967   10.392 -8.622986 12.72046 
1 1 1  -24    6   26 o  555.852   7.0052  2099.99   52.759  2127.14   75.430  2073.99   73.820  559.360   9.9511  552.344   9.8624 7.016296 14.01043 
1 1 1  -24    6   27 o  648.157   7.8831  2858.82   69.240  2839.46   97.797  2878.28   98.042  645.951   11.172  650.364   11.124 -4.413513 15.76620 
1 1 1  -24    6   28 o  512.286   6.6221  1783.65   45.968  1791.42   65.483  1776.10   64.544  513.378   9.4126  511.194   9.3173 2.183929 13.24417 
1 1 1  -24    6   29 o  162.263   4.6673  178.375   10.245  183.702   15.016  173.736   14.014  164.521   6.7353  160.006   6.4630 4.514709 9.334552 
1 1 1  -24    6   30 o  307.696   5.0466  642.474   21.035  651.351   30.247  634.161   29.272  309.748   7.2060  305.645   7.0673 4.103363 10.09325 
1 1 1  -24    6   31 o  480.759   6.3567  1570.98   41.412  1564.13   58.732  1577.75   58.401  479.710   9.0346  481.808   8.9447 -2.097900 12.71345 
1 1 1  -24    6   32 o  374.081   5.5040  949.982   27.890  911.676   39.016  990.006   39.882  366.365   7.8586  381.797   7.7084 -15.43213 11.00803 
1 1 1  -24    6   33 o  388.441   5.6239  1023.71   29.583  1059.35   42.832  991.194   40.907  394.892   8.0040  381.990   7.9025 12.90143 11.24783 
1 1 1  -24    6   34 o  375.116   5.5388  955.996   28.152  943.319   39.953  968.497   39.674  372.637   7.9119  377.596   7.7535 -4.959808 11.07770 
1 1 1  -24    6   35 o  256.245   6.0571  450.831   19.495  434.107   34.531  458.655   23.619  252.565   10.089  259.924   6.7055 -7.359344 12.11417 
1 1 1  -24    6   36 o  137.031   6.0978  125.192   10.424  133.925   19.182  121.532   12.417  140.274   10.091  133.788   6.8488 6.485504 12.19563 
1 1 1  -24    6   37 o  288.136   5.0105  563.923   19.560  556.278   27.805  571.414   27.522  286.194   7.1693  290.077   7.0014 -3.882935 10.02093 
1 1 1  -24    6   38 o  328.319   5.2405  732.249   23.312  732.990   33.267  731.534   32.678  328.475   7.4737  328.163   7.3482 0.3120728 10.48102 
1 1 1  -24    6   39 o  204.688   4.7600  284.435   13.195  286.500   19.024  282.521   18.318  205.397   6.8349  203.980   6.6269 1.417450 9.520052 
1 1 1  -24    6   40 o  162.030   4.8484  178.656   10.624  170.290   15.271  186.503   14.791  158.332   7.1172  165.728   6.5858 -7.396271 9.696756 
1 1 1  -24    6   41 o  382.877   8.0311  996.592   41.670  996.592   41.670   0.0000   0.0000  382.877   8.0311  ?   ?       ?      ? 
1 1 1  -24    6   42 o  283.634   7.1663  546.585   27.545  546.585   27.545   0.0000   0.0000  283.634   7.1663  ?   ?       ?      ? 
1 1 1  -24    6   43 o  276.821   5.0254  520.662   18.851  521.181   26.751  520.150   26.570  276.956   7.1276  276.686   7.0862 0.2694702 10.05072 
1 1 1  -24    6   44 o  248.221   4.9038  418.571   16.488  420.227   23.686  417.014   22.967  248.689   7.0283  247.754   6.8406 0.9341583 9.807671 
1 1 1  -24    6   45 o  448.728   6.1765  1370.28   37.555  1381.96   53.582  1358.99   52.651  450.599   8.7750  446.857   8.6946 3.741913 12.35305 
1 1 1  -24    6   46 o  259.015   4.9567  455.503   17.388  468.544   25.111  443.490   24.101  262.568   7.0574  255.462   6.9620 7.105988 9.913430 
1 1 1  -24    6   47 o  399.000   5.7949  1083.26   31.330  1066.40   44.251  1100.22   44.365  395.874   8.2486  402.125   8.1414 -6.251099 11.58975 
1 1 1  -24    6   48 o  345.039   5.4338  809.021   25.394  832.669   36.632  787.141   35.235  349.882   7.7259  340.196   7.6430 9.685669 10.86766 
1 1 1  -24    6   49 o  428.487   6.0593  1249.36   35.169  1276.75   50.624  1223.81   48.895  433.009   8.6274  423.965   8.5104 9.043854 12.11850 
1 1 1  -24    6   50 f  295.217   6.3129  582.558   23.530  624.557   42.368  563.824   28.296  302.491   10.336  287.944   7.2515 14.54703 12.62581 
1 1 1  -24    6   51 o  224.483   6.8835  342.598   20.940   0.0000   0.0000  342.598   20.940  ?   ?   224.483   6.8835      ?      ? 
1 1 1  -24    6   52 f  610.403   9.4263  2565.44   73.443  2533.74  126.855  2581.42   90.074  606.211   15.442  614.596   10.815 -8.385376 18.85258 
1 1 1  -24    6   53 o  324.533   5.3563  716.494   23.549  725.782   33.816  707.749   32.813  326.562   7.6413  322.504   7.5081 4.057831 10.71264 
1 1 1  -24    6   54 o  239.816   5.0136  391.143   16.280  392.933   23.538  389.501   22.540  240.323   7.2274  239.308   6.9506 1.015182 10.02726 
1 1 1  -24    6   55 o  437.554   6.1978  1305.35   36.745  1300.13   52.308  1310.44   51.630  436.667   8.8396  438.441   8.6898 -1.774841 12.39565 
1 1 1  -24    6   56 o  421.646   6.0715  1211.54   34.682  1231.38   49.767  1192.80   48.359  424.985   8.6415  418.307   8.5310 6.677917 12.14301 
1 1 1  -24    6   57 o  190.929   6.4161  253.327   15.496  262.221   18.987  235.589   26.815  196.295   7.1379  185.562   10.664 10.73250 12.83213 
1 1 1  -24    6   58 o  124.311   6.9154  102.266   10.995   96.055   13.310  115.612   19.512  118.704   8.2744  129.917   11.083 -11.21272 13.83087 
1 1 1  -24    6   59 o  213.327   4.9908  308.738   14.404  331.372   21.076  288.900   19.731  220.641   7.0487  206.013   7.0675 14.62723 9.981688 
1 1 1  -24    6   60 o  279.318   5.1717  531.481   19.569  526.453   27.964  536.307   27.394  278.001   7.4227  280.635   7.2033 -2.633270 10.34335 
1 1 1  -24    6   61 o  254.576   5.0878  441.497   17.545  439.311   25.131  443.577   24.507  253.940   7.3028  255.211   7.0862 -1.270416 10.17569 
1 1 1  -24    6   62 o  151.154   6.2035  155.709   12.325  154.521   15.607  157.677   20.089  150.540   7.6505  151.769   9.7675 -1.229507 12.40707 
1 1 1  -24    6   63 o  244.026   6.0638  408.374   19.309  412.520   24.308  401.284   31.787  245.994   7.2919  242.058   9.6905 3.935501 12.12758 
1 1 1  -24    6   64 o  176.026   5.1769  211.648   12.330  203.098   17.692  219.722   17.192  172.525   7.5673  179.527   7.0666 -7.002045 10.35380 
1 1 1  -24    6   65 o  178.354   5.1253  216.550   12.370  226.127   18.088  208.135   16.955  182.036   7.3323  174.672   7.1631 7.363708 10.25053 
1 1 1  -24    6   66 o  215.346   6.0922  315.961   16.737  322.351   29.185  312.829   20.430  216.583   9.9437  214.109   7.0414 2.473694 12.18433 
1 1 1  -24    6   67 o   76.008   8.9140   39.403   8.5359   45.014   14.829   36.622   10.439   79.130   14.357   72.886   10.569 6.243874 17.82795 
1 1 1  -24    6   68 o  189.668   5.1278  246.479   13.149  232.262   18.847  259.961   18.354  184.258   7.5482  195.079   6.9428 -10.82149 10.25562 
1 1 1  -24    6   69 o  197.121   6.4523  271.124   15.833  257.412   28.338  277.347   19.091  192.831   10.845  201.412   6.9946 -8.580521 12.90455 
1 1 1  -24    6   70 o  145.669   5.4497  145.355   10.740  147.813   15.703  143.194   14.722  146.782   7.8943  144.555   7.5152 2.227661 10.89948 
1 1 1  -24    6   71 o  245.702   5.1550  413.822   17.164  413.378   24.366  414.259   24.181  245.558   7.3222  245.845   7.2583 -0.2864532 10.31005 
1 1 1  -24    6   72 o  210.577   6.4605  308.891   17.193  313.433   20.947  299.516   30.096  213.740   7.2319  207.413   10.707 6.327011 12.92091 
1 1 1  -24    6   73 o  157.938   5.2352  171.397   11.201  173.463   16.073  169.446   15.619  158.844   7.4671  157.032   7.3398 1.811920 10.47040 
1 1 1  -24    6   74 o   58.389   8.8362   24.773   6.9533   17.633   9.7371   32.203   9.9327   48.969   13.981   67.809   10.809 -18.84040 17.67248 
1 1 1  -24    6   75 o  114.363   5.7574   90.478   8.9156   85.907   12.543   95.146   12.675  111.395   8.3093  117.331   7.9718 -5.936378 11.51488 
1 1 1  -24    6   76 o  115.055   5.7667   91.811   8.9844   88.508   12.771   95.047   12.642  112.945   8.3440  117.165   7.9621 -4.220467 11.53332 
1 1 1  -24    6   77 o   70.023   7.9456   35.554   7.2658   29.699   10.356   41.229   10.197   63.419   12.494   76.627   9.8196 -13.20764 15.89128 
1 1 1  -24    6   78 o  113.423   7.7391   91.240   11.860  101.393   17.184   82.007   16.388  119.597   10.603  107.248   11.276 12.34924 15.47820 
1 1 1  -24    6   79 o  187.994   7.0926  250.035   18.058  261.912   25.937  238.860   25.158  192.389   9.9484  183.598   10.112 8.790253 14.18510 
1 1 1  -24    6   80 o  112.452   11.120   90.848   16.945   90.848   16.945   0.0000   0.0000  112.452   11.120  ?   ?       ?      ? 
1 1 1  -24    6   81 o   90.935   12.148   60.406   14.969   60.406   14.969   0.0000   0.0000   90.935   12.148  ?   ?       ?      ? 
1 1 1  -24    6   82 o   74.486   9.7577   42.294   9.5066   55.275   13.831   30.670   13.088   86.971   11.735   62.001   15.593 24.97054 19.51547 
1 1 1  -24    6   83 o   75.035   13.459   43.222   13.182   0.0000   0.0000   43.222   13.182  ?   ?    75.035   13.459      ?      ? 
1 1 1  -24    7    1 o  471.158   7.3989  1508.27   44.963  1503.81   55.596  1516.71   76.447  470.444   8.7208  471.873   11.955 -1.428375 14.79789 
1 1 1  -24    7    2 o  183.229   6.0757  228.450   14.741  226.406   23.437  229.787   18.961  182.497   9.4768  183.962   7.6057 -1.464981 12.15138 
1 1 1  -24    7    3 o  195.572   6.1482  259.888   15.978  259.745   25.194  259.985   20.666  195.475   9.5108  195.669   7.7939 -0.1948547 12.29630 
1 1 1  -24    7    4 o  285.929   5.5460  547.112   20.612  527.822   25.533  583.207   34.926  278.879   6.7562  292.980   8.7969 -14.10172 11.09193 
1 1 1  -24    7    5 o  302.797   5.7184  618.098   22.507  606.862   27.985  638.678   37.873  299.023   6.9062  306.571   9.1162 -7.548065 11.43681 
1 1 1  -24    7    6 o  141.796   4.9243  135.658   9.3180  132.027   12.089  140.971   14.625  139.491   6.3955  144.100   7.4895 -4.609390 9.848564 
1 1 1  -24    7    7 o  374.613   6.4189  945.646   31.095  927.645   38.412  979.864   52.961  369.636   7.6686  379.589   10.296 -9.953033 12.83778 
1 1 1  -24    7    8 o  197.697   6.4026  265.193   17.153  265.193   17.153   0.0000   0.0000  197.697   6.4026  ?   ?       ?      ? 
1 1 1  -24    7    9 o  328.928   6.0961  743.272   26.188  768.012   33.207  702.573   42.592  336.369   7.2851  321.487   9.7764 14.88126 12.19222 
1 1 1  -24    7   10 o  535.956   8.2374  1973.06   57.236  2018.81   71.692  1892.63   95.049  544.978   9.7075  526.933   13.311 18.04468 16.47472 
1 1 1  -24    7   11 o  395.528   6.6745  1052.69   34.105  1029.25   42.053  1097.73   58.294  389.329   7.9708  401.726   10.708 -12.39734 13.34901 
1 1 1  -24    7   12 o  600.181   8.9758  2452.12   69.355  2447.96   85.614  2460.07  118.293  599.947   10.530  600.414   14.539 -0.4672241 17.95167 
1 1 1  -24    7   13 o  400.270   7.7823  1089.78   42.195  1046.71   59.213  1134.21   60.143  392.217   11.141  408.323   10.869 -16.10599 15.56452 
1 1 1  -24    7   14 o  544.977   9.6105  2023.67   70.943  2066.94  102.214  1983.45   98.544  550.567   13.700  539.386   13.482 11.18036 19.22096 
1 1 1  -24    7   15 o  338.415   6.1815  775.570   27.259  769.228   34.082  786.831   45.411  336.619   7.4715  340.211   9.8498 -3.591705 12.36293 
1 1 1  -24    7   16 o  192.606   4.9107  253.345   11.877  256.012   14.359  247.568   21.133  194.282   5.4541  190.930   8.1678 3.351822 9.821383 
1 1 1  -24    7   17 o  381.689   6.1630  971.920   28.188  952.297   32.759  1027.89   55.325  374.626   6.4528  388.752   10.502 -14.12625 12.32594 
1 1 1  -24    7   18 o  138.491   5.5770  131.190   10.390  143.892   14.366  117.260   15.044  145.593   7.2814  131.389   8.4495 14.20398 11.15402 
1 1 1  -24    7   19 o  302.647   5.9538  618.939   23.716  608.886   30.030  635.600   38.662  299.484   7.3995  305.810   9.3293 -6.325836 11.90750 
1 1 1  -24    7   20 o  284.558   5.3580  537.548   18.546  522.747   21.712  577.494   35.668  277.595   5.7717  291.520   9.0288 -13.92484 10.71601 
1 1 1  -24    7   21 o  194.904   4.9683  258.992   12.088  260.815   14.533  254.898   21.779  196.090   5.4690  193.717   8.2963 2.372849 9.936691 
1 1 1  -24    7   22 o  183.177   5.2108  224.223   12.600  212.889   15.920  243.227   20.614  177.113   6.6329  189.242   8.0382 -12.12851 10.42156 
1 1 1  -24    7   23 o  480.958   6.3271  1571.62   41.228  1590.00   59.048  1554.14   57.591  483.691   9.0085  478.225   8.8867 5.466278 12.65413 
1 1 1  -24    7   24 o  286.174   6.1044  557.878   22.237  560.632   27.174  552.297   38.687  287.385   6.9777  284.963   10.018 2.421906 12.20881 
1 1 1  -24    7   25 o  200.883   5.8206  279.615   14.823  290.533   18.214  258.201   25.509  206.904   6.4962  194.861   9.6601 12.04324 11.64123 
1 1 1  -24    7   26 o  180.751   4.5334  221.894   11.094  216.917   15.928  226.582   15.460  178.774   6.5749  182.728   6.2433 -3.954254 9.066877 
1 1 1  -24    7   27 o  141.802   4.7260  136.506   9.0584  136.237   13.287  136.738   12.382  141.663   6.9212  141.942   6.4373 -0.2786102 9.452070 
1 1 1  -24    7   28 o  352.243   5.3300  842.684   25.436  818.905   35.880  866.707   36.064  347.237   7.6252  357.248   7.4494 -10.01013 10.66006 
1 1 1  -24    7   29 o  282.001   4.9002  539.737   18.718  545.471   26.932  534.381   26.033  283.443   7.0117  280.560   6.8472 2.882965 9.800399 
1 1 1  -24    7   30 o  421.329   5.8692  1206.37   33.508  1186.15   47.329  1226.69   47.446  417.781   8.3598  424.878   8.2404 -7.096649 11.73848 
1 1 1  -24    7   31 o  194.688   4.6426  257.231   12.237  258.919   17.717  255.691   16.923  195.291   6.6945  194.084   6.4343 1.206650 9.285263 
1 1 1  -24    7   32 o  372.855   5.5040  943.790   27.796  966.211   40.100  923.053   38.564  377.106   7.8468  368.604   7.7203 8.502319 11.00799 
1 1 1  -24    7   33 o  126.215   5.0003  107.976   8.5241  110.649   12.643  105.749   11.542  127.634   7.3096  124.796   6.8250 2.838547 10.00056 
1 1 1  -24    7   34 o  433.995   5.9957  1280.06   35.253  1300.13   50.543  1261.05   49.196  437.298   8.5291  430.692   8.4290 6.605377 11.99136 
1 1 1  -24    7   35 o   93.043   7.4817   62.357   8.2823   51.695   15.386   66.708   9.8277   86.990   13.052   99.095   7.3184 -12.10490 14.96334 
1 1 1  -24    7   36 o  134.846   5.0295  124.621   9.1024  107.385   13.089  140.762   12.666  125.707   7.6839  143.984   6.4917 -18.27643 10.05903 
1 1 1  -24    7   37 o  192.249   4.7720  251.337   12.413  236.507   17.623  265.939   17.487  186.599   6.9692  197.900   6.5206 -11.30057 9.543985 
1 1 1  -24    7   38 o  417.972   7.1147  1193.74   38.490  1202.85   47.919  1177.17   64.619  420.559   8.4081  415.384   11.480 5.175232 14.22948 
1 1 1  -24    7   39 o  240.019   5.6561  384.703   17.697  367.368   21.961  416.804   29.885  232.545   6.9689  247.493   8.9106 -14.94766 11.31218 
1 1 1  -24    7   40 o  212.159   4.7958  305.955   13.779  298.000   19.670  313.621   19.308  209.437   6.9304  214.881   6.6308 -5.443481 9.591519 
1 1 1  -24    7   41 o  222.191   6.0663  333.703   17.058  329.797   20.650  342.093   30.266  220.320   6.9166  224.062   9.9681 -3.741196 12.13267 
1 1 1  -24    7   42 o  251.938   4.8928  431.403   16.700  421.710   23.700  440.960   23.534  249.116   7.0204  254.760   6.8170 -5.643265 9.785562 
1 1 1  -24    7   43 o  223.910   4.8176  339.674   14.597  361.375   21.328  320.555   20.020  230.617   6.8247  217.204   6.8017 13.41319 9.635294 
1 1 1  -24    7   44 o  176.353   4.8754  211.758   11.626  197.305   16.538  225.878   16.347  170.372   7.1629  182.334   6.6158 -11.96228 9.750711 
1 1 1  -24    7   45 o  199.793   4.8449  271.422   13.107  267.236   18.830  275.357   18.255  198.284   7.0076  201.302   6.6920 -3.018143 9.689713 
1 1 1  -24    7   46 o  284.898   5.0752  551.945   19.590  544.355   27.861  559.368   27.551  282.948   7.2661  286.847   7.0876 -3.899323 10.15034 
1 1 1  -24    7   47 o  268.159   6.1559  488.668   20.958  492.868   36.810  486.654   25.493  268.770   10.107  267.548   7.0313 1.221649 12.31190 
1 1 1  -24    7   48 o  311.513   6.4010  651.114   25.218  689.596   45.139  633.653   30.405  317.798   10.481  305.229   7.3509 12.56824 12.80209 
1 1 1  -24    7   49 f  386.814   5.7437  1017.59   30.088  1047.60   43.524  990.127   41.639  392.256   8.1881  381.373   8.0570 10.88263 11.48734 
1 1 1  -24    7   50 o  155.070   5.1074  163.147   10.712  170.048   15.753  157.211   14.609  158.102   7.3528  152.038   7.0906 6.063385 10.21472 
1 1 1  -24    7   51 o  227.875   6.1184  354.611   17.570  351.813   31.163  355.915   21.274  226.973   10.132  228.777   6.8620 -1.804047 12.23675 
1 1 1  -24    7   52 o  382.911   5.7514  998.816   29.838  988.081   42.468  1009.28   41.932  380.856   8.2284  384.967   8.0379 -4.111023 11.50284 
1 1 1  -24    7   53 o  137.427   5.6441  128.914   10.481  124.052   15.230  133.289   14.447  134.929   8.3293  139.926   7.6189 -4.997162 11.28827 
1 1 1  -24    7   54 o  551.064   7.1416  2074.89   53.325  2092.89   76.084  2057.51   74.760  553.391   10.146  548.736   10.054 4.655334 14.28312 
1 1 1  -24    7   55 o  252.025   5.0947  432.278   17.388  432.767   25.060  431.825   24.146  252.142   7.3342  251.908   7.0733 0.2337036 10.18932 
1 1 1  -24    7   56 o  255.327   6.3015  437.023   20.488  422.671   24.830  467.643   36.268  249.160   7.3538  261.493   10.235 -12.33217 12.60293 
1 1 1  -24    7   57 o  278.026   6.4402  530.867   22.896  537.322   28.167  518.294   39.312  280.893   7.3997  275.159   10.543 5.733704 12.88050 
1 1 1  -24    7   58 o  278.019   5.1632  525.612   19.436  546.970   28.200  506.287   26.825  283.383   7.3434  272.656   7.2601 10.72665 10.32638 
1 1 1  -24    7   59 o  156.905   5.2269  167.885   11.102  163.784   15.948  171.740   15.464  155.020   7.5916  158.789   7.1866 -3.768936 10.45374 
1 1 1  -24    7   60 o  201.734   5.9746  278.854   15.725  281.617   19.790  274.121   25.901  203.307   7.1832  200.160   9.5490 3.146790 11.94912 
1 1 1  -24    7   61 o  174.549   6.0827  208.827   13.890  210.717   17.541  205.650   22.742  175.807   7.3627  173.292   9.6845 2.514816 12.16548 
1 1 1  -24    7   62 o  270.413   5.2042  498.629   19.063  502.005   27.391  495.457   26.546  271.279   7.4510  269.547   7.2676 1.731049 10.40841 
1 1 1  -24    7   63 o  107.925   6.1120   80.061   8.8954   74.324   12.913   85.242   12.272  104.166   9.1478  111.685   8.1082 -7.518250 12.22398 
1 1 1  -24    7   64 o  188.162   5.1044  241.533   13.006  244.798   18.802  238.536   18.010  189.360   7.3271  186.964   7.1085 2.396362 10.20870 
1 1 1  -24    7   65 o  187.773   5.1354  241.112   13.036  236.265   18.997  245.425   17.921  185.928   7.5398  189.617   6.9743 -3.688065 10.27084 
1 1 1  -24    7   66 o  168.895   6.3137  195.868   13.498  195.718   23.764  195.939   16.400  168.452   10.410  169.339   7.1467 -0.8861847 12.62735 
1 1 1  -24    7   67 o  271.575   6.5673  516.601   22.445  481.869   39.199  533.544   27.378  263.845   10.963  279.304   7.2333 -15.45883 13.13452 
1 1 1  -24    7   68 o  170.255   6.6803  204.247   13.984  188.932   25.374  210.928   16.759  164.921   11.353  175.589   7.0431 -10.66754 13.36063 
1 1 1  -24    7   69 o  205.382   5.1076  289.384   14.190  270.680   20.128  307.865   20.008  198.695   7.4753  212.070   6.9620 -13.37424 10.21518 
1 1 1  -24    7   70 f  175.268   5.1115  210.446   12.134  217.183   17.521  204.238   16.819  177.950   7.2658  172.587   7.1915 5.363266 10.22294 
1 1 1  -24    7   71 o  147.182   6.5010  143.746   12.278  131.905   14.864  169.176   21.783  138.432   7.9237  155.933   10.309 -17.50117 13.00209 
1 1 1  -24    7   72 o   54.786   9.2783   21.909   6.8261   26.344   10.024   18.073   9.3216   59.995   12.724   49.577   13.507 10.41777 18.55652 
1 1 1  -24    7   73 o  169.244   5.1398  197.375   11.769  184.674   16.647  210.068   16.641  163.708   7.5037  174.781   7.0260 -11.07297 10.27956 
1 1 1  -24    7   74 o   45.511   9.7266   14.904   6.5860   18.639   9.5776   11.553   9.0709   50.077   13.712   40.945   13.799 9.132301 19.45315 
1 1 1  -24    7   75 o   95.124   6.2754   62.949   8.0748   68.424   11.647   57.882   11.205   99.161   8.6672   91.087   9.0776 8.074554 12.55085 
1 1 1  -24    7   76 f   73.371   7.2992   38.018   7.2439   40.872   10.299   35.224   10.191   76.195   9.9744   70.548   10.659 5.647850 14.59832 
1 1 1  -24    7   77 o  105.751   6.8708   78.572   9.4750   77.890   11.878   79.765   15.712  105.678   8.2942  105.823   10.956 -0.1457596 13.74153 
1 1 1  -24    7   78 o  149.793   7.0813  159.163   14.366  157.197   20.589  161.029   20.054  148.757   10.213  150.829   9.8115 -2.071579 14.16252 
1 1 1  -24    7   79 o   99.052   8.1554   71.165   10.892   64.012   15.495   78.153   15.315   93.747   12.197  104.358   10.829 -10.61171 16.31080 
1 1 1  -24    7   80 o   56.920   11.010   25.807   8.7721   23.277   12.738   28.089   12.098   54.084   16.148   59.757   14.971 -5.672928 22.01968 
1 1 1  -24    7   81 o  144.873   7.1929  150.637   14.108  154.533   20.495  147.128   19.449  146.530   10.321  143.216   10.021 3.313263 14.38580 
1 1 1  -24    7   82 o   69.000   13.844   37.001   12.495   0.0000   0.0000   37.001   12.495  ?   ?    69.000   13.844      ?      ? 
1 1 1  -24    8    1 o  252.055   4.5292  431.217   15.470  433.253   21.949  429.207   21.808  252.645   6.4109  251.464   6.3997 1.181580 9.058427 
1 1 1  -24    8    2 o  267.395   4.9556  465.533   16.162  441.742   18.860  531.300   31.358  255.173   5.4541  279.617   8.2755 -24.44450 9.911186 
1 1 1  -24    8    3 o  113.960   7.4763   88.200   11.546   88.200   11.546   0.0000   0.0000  113.960   7.4763  ?   ?       ?      ? 
1 1 1  -24    8    4 o  175.259   5.1596  208.350   12.254  208.350   12.254   0.0000   0.0000  175.259   5.1596  ?   ?       ?      ? 
1 1 1  -24    8    5 o  140.295   4.7132  138.518   8.3708  149.074   10.389  118.975   14.135  148.247   5.1711  132.342   7.8814 15.90515 9.426369 
1 1 1  -24    8    6 o  243.484   4.9845  406.150   15.046  411.695   18.025  393.408   27.325  246.351   5.3992  240.617   8.3803 5.734131 9.968964 
1 1 1  -24    8    7 o  437.062   6.6319  1279.86   34.614  1259.16   40.188  1339.32   68.124  430.675   6.8859  443.448   11.336 -12.77341 13.26379 
1 1 1  -24    8    8 o  249.503   5.5641  422.321   18.813  422.321   18.813   0.0000   0.0000  249.503   5.5641  ?   ?       ?      ? 
1 1 1  -24    8    9 o  120.432   5.8203   97.816   9.4568  106.242   14.215   91.127   12.666  125.044   8.3891  115.820   8.0700 9.223892 11.64052 
1 1 1  -24    8   10 o  291.596   5.4224  586.603   19.467  599.962   23.263  555.391   35.559  297.370   5.7729  285.822   9.1805 11.54837 10.84471 
1 1 1  -24    8   11 o  184.920   4.8839  237.287   11.333  246.518   13.801  218.175   19.859  190.635   5.3422  179.205   8.1774 11.42986 9.767762 
1 1 1  -24    8   12 o  326.039   5.7388  739.085   22.909  763.320   27.348  682.075   41.944  335.401   6.0169  316.678   9.7740 18.72391 11.47756 
1 1 1  -24    8   13 o  193.296   4.7824  247.626   11.625  238.130   13.911  269.613   21.168  187.358   5.4789  199.234   7.8402 -11.87619 9.564877 
1 1 1  -24    8   14 o  302.229   5.4094  599.255   19.831  574.742   23.109  667.741   38.627  291.047   5.8591  313.410   9.0948 -22.36310 10.81874 
1 1 1  -24    8   15 o  128.222   4.9979  112.537   8.2618  114.682   10.268  108.599   13.914  130.010   5.8279  126.435   8.1211 3.575226 9.995846 
1 1 1  -24    8   16 o  256.872   5.2195  452.614   16.557  459.331   19.785  436.917   30.245  260.203   5.6110  253.541   8.8027 6.661606 10.43896 
1 1 1  -24    8   17 o  431.278   6.7077  1279.75   34.954  1298.37   41.177  1231.72   66.130  437.321   6.9481  425.235   11.476 12.08667 13.41532 
1 1 1  -24    8   18 o  245.878   5.5650  410.143   18.155  408.118   23.379  413.217   28.815  245.177   7.0367  246.580   8.6234 -1.402573 11.13004 
1 1 1  -24    8   19 o  152.694   4.8248  153.998   9.4224  145.980   11.421  171.085   16.673  146.682   5.7458  158.706   7.7524 -12.02443 9.649516 
1 1 1  -24    8   20 o  179.216   4.9478  221.137   11.138  226.520   13.519  209.766   19.651  182.729   5.4595  175.703   8.2532 7.026367 9.895551 
1 1 1  -24    8   21 o  121.539   5.2291  103.152   8.1352  109.902   10.171   91.163   13.555  127.265   5.8974  115.812   8.6368 11.45300 10.45817 
1 1 1  -24    8   22 o  260.900   5.3362  471.872   17.142  486.069   20.526  439.148   31.163  267.657   5.6590  254.142   9.0485 13.51418 10.67237 
1 1 1  -24    8   23 o  248.865   5.2431  423.741   16.088  428.225   19.181  413.103   29.543  251.226   5.6342  246.504   8.8441 4.721268 10.48630 
1 1 1  -24    8   24 o  260.536   5.7364  460.584   20.253  460.584   20.253   0.0000   0.0000  260.536   5.7364  ?   ?       ?      ? 
1 1 1  -24    8   25 o  328.976   5.1589  734.542   22.988  750.062   33.135  720.140   31.919  332.317   7.3579  325.634   7.2332 6.682831 10.31785 
1 1 1  -24    8   26 o  236.401   4.6654  379.511   14.938  375.751   21.419  383.072   20.844  235.252   6.7185  237.550   6.4750 -2.297882 9.330853 
1 1 1  -24    8   27 o  199.625   4.5695  269.904   12.345  282.522   18.040  258.792   16.929  203.999   6.5257  195.251   6.3981 8.747940 9.139003 
1 1 1  -24    8   28 o  171.542   4.6095  200.056   10.693  194.930   15.517  204.692   14.756  169.434   6.7581  173.650   6.2705 -4.216400 9.219086 
1 1 1  -24    8   29 o  211.680   4.6340  304.344   13.281  301.212   19.136  307.254   18.447  210.618   6.7047  212.740   6.3986 -2.122101 9.267965 
1 1 1  -24    8   30 o  329.629   5.1969  738.289   23.209  728.587   33.019  747.763   32.631  327.478   7.4405  331.781   7.2576 -4.303009 10.39389 
1 1 1  -24    8   31 o  530.151   6.8148  1913.02   48.955  1921.50   69.780  1904.80   68.698  531.294   9.6920  529.007   9.5829 2.286377 13.62967 
1 1 1  -24    8   32 o  197.773   4.6762  265.283   12.518  272.180   18.229  259.127   17.221  200.196   6.7193  195.351   6.5052 4.845398 9.352310 
1 1 1  -24    8   33 o  322.525   6.1351  695.552   25.570  669.230   31.436  747.026   43.959  313.832   7.3917  331.218   9.7938 -17.38632 12.27014 
1 1 1  -24    8   34 o  214.300   6.6174  314.295   19.053  298.028   28.441  327.540   25.663  209.168   10.034  219.432   8.6304 -10.26375 13.23485 
1 1 1  -24    8   35 o  220.244   6.6039  329.795   19.587  334.055   29.477  326.427   26.209  221.460   9.8222  219.027   8.8301 2.433167 13.20787 
1 1 1  -24    8   36 o  222.196   4.7503  334.703   14.285  348.180   20.854  322.789   19.608  226.395   6.7975  217.997   6.6374 8.398117 9.500582 
1 1 1  -24    8   37 o  321.053   5.1884  700.503   22.567  702.542   32.327  698.565   31.516  321.498   7.4200  320.609   7.2540 0.8890991 10.37677 
1 1 1  -24    8   38 o  269.668   4.9234  494.251   17.984  489.672   25.746  498.614   25.132  268.435   7.0776  270.901   6.8459 -2.465454 9.846738 
1 1 1  -24    8   39 o  175.403   4.8048  207.835   11.388  228.263   16.851  190.663   15.450  183.291   6.7843  167.515   6.8059 15.77605 9.609680 
1 1 1  -24    8   40 o  318.647   6.5135  694.139   26.452  699.218   32.388  683.965   45.841  320.691   7.4526  316.603   10.685 4.087585 13.02703 
1 1 1  -24    8   41 o  295.087   5.1111  591.789   20.428  565.803   28.642  618.693   29.143  288.482   7.3266  301.691   7.1283 -13.20926 10.22215 
1 1 1  -24    8   42 o  191.959   4.7885  250.610   12.445  244.737   17.852  256.162   17.358  189.755   6.9425  194.163   6.5971 -4.407867 9.577076 
1 1 1  -24    8   43 o  217.841   5.9088  324.565   16.286  318.734   28.598  327.363   19.813  216.201   9.7611  219.480   6.6614 -3.278717 11.81753 
1 1 1  -24    8   44 o  157.800   6.0976  171.744   12.090  163.713   21.337  175.541   14.672  154.892   10.165  160.708   6.7372 -5.815475 12.19517 
1 1 1  -24    8   45 o  248.736   6.1012  428.987   19.225  399.489   33.198  443.870   23.581  241.942   10.125  255.530   6.8099 -13.58852 12.20245 
1 1 1  -24    8   46 o  340.290   5.3959  788.049   24.878  778.903   35.381  796.994   34.990  338.320   7.7171  342.260   7.5440 -3.939087 10.79190 
1 1 1  -24    8   47 o  116.293   5.6115   93.180   8.7356   80.668   12.764  104.203   11.981  108.809   8.6568  123.777   7.1427 -14.96799 11.22309 
1 1 1  -24    8   48 o  239.980   4.9303  390.519   16.008  412.564   23.461  371.313   21.898  246.292   7.0293  233.668   6.9154 12.62312 9.860664 
1 1 1  -24    8   49 o  275.849   5.0842  516.598   18.982  538.995   27.707  496.789   26.057  281.460   7.2642  270.238   7.1153 11.22165 10.16841 
1 1 1  -24    8   50 o  171.345   6.1444  197.316   13.344  208.106   23.762  192.347   16.127  174.542   10.046  168.147   7.0773 6.395477 12.28888 
1 1 1  -24    8   51 o  152.163   5.3466  158.698   10.949  142.992   15.871  172.964   15.125  144.879   8.0836  159.448   7.0001 -14.56978 10.69329 
1 1 1  -24    8   52 o  292.289   5.1857  581.205   20.531  591.621   29.568  571.507   28.531  294.804   7.4011  289.774   7.2657 5.030090 10.37145 
1 1 1  -24    8   53 o  293.898   5.2023  588.228   20.713  577.364   29.483  598.815   29.105  291.196   7.4713  296.600   7.2413 -5.404053 10.40465 
1 1 1  -24    8   54 o  186.139   5.0497  236.616   12.691  216.009   18.097  256.558   17.802  178.095   7.4986  194.184   6.7652 -16.08949 10.09931 
1 1 1  -24    8   55 o  184.965   6.3171  230.832   14.890  225.700   18.102  241.572   26.186  182.048   7.3375  187.882   10.285 -5.833313 12.63419 
1 1 1  -24    8   56 o  224.368   6.3253  345.590   18.031  349.066   22.031  338.536   31.381  226.399   7.1808  222.337   10.415 4.062271 12.65069 
1 1 1  -24    8   57 o  115.356   5.8389   90.595   9.1163   95.079   13.300   86.621   12.520  118.036   8.3151  112.675   8.1994 5.361343 11.67780 
1 1 1  -24    8   58 o  178.138   6.0083  216.598   14.105  216.223   17.964  217.200   22.778  178.100   7.4432  178.176   9.4339 -0.7666016E-01 12.01662 
1 1 1  -24    8   59 o  287.148   6.2951  571.614   23.555  594.475   29.849  533.878   38.350  295.253   7.4602  279.043   10.142 16.20975 12.59013 
1 1 1  -24    8   60 o  118.739   5.8497   97.471   9.2960   82.760   13.451  110.923   12.862  109.966   9.0261  127.512   7.4435 -17.54632 11.69942 
1 1 1  -24    8   61 o   60.565   9.2430   26.154   7.3460   29.077   10.925   23.741   9.9244   63.681   13.097   57.449   13.046 6.231342 18.48590 
1 1 1  -24    8   62 o  141.960   5.3675  137.128   10.304  146.509   15.178  129.106   14.034  146.438   7.6483  137.482   7.5327 8.954971 10.73491 
1 1 1  -24    8   63 o  255.190   5.1287  444.890   17.729  442.025   25.387  447.617   24.770  254.356   7.3651  256.024   7.1393 -1.667984 10.25738 
1 1 1  -24    8   64 o   85.006   7.0105   49.581   8.0550   52.209   11.922   47.373   10.926   87.044   10.107   82.968   9.7182 4.076439 14.02102 
1 1 1  -24    8   65 o   48.589   13.741   16.997   9.4513   0.0000   0.0000   16.997   9.4513  ?   ?    48.589   13.741      ?      ? 
1 1 1  -24    8   66 o   51.340   10.743   20.050   8.0736   10.764   14.905   23.906   9.6045   45.234   17.348   57.445   12.678 -12.21049 21.48635 
1 1 1  -24    8   67 f  107.622   5.9553   79.241   8.6615   85.621   12.836   73.908   11.736  111.565   8.4901  103.678   8.3534 7.886444 11.91054 
1 1 1  -24    8   68 o  118.339   5.7167   96.904   9.1083   86.935   13.131  106.149   12.645  112.315   8.6270  124.363   7.5033 -12.04729 11.43349 
1 1 1  -24    8   69 o  165.147   5.1563  186.670   11.518  196.753   16.936  177.992   15.711  169.256   7.3838  161.038   7.1992 8.218475 10.31260 
1 1 1  -24    8   70 o  113.766   7.3637   91.684   10.651   94.636   13.121   85.979   18.239  117.097   8.2688  110.436   12.187 6.661469 14.72746 
1 1 1  -24    8   71 o  124.875   5.5823  108.018   9.4063   98.367   13.452  117.253   13.158  119.269   8.3227  130.480   7.4417 -11.21127 11.16453 
1 1 1  -24    8   72 f  115.982   5.7414   92.866   8.9664  107.899   13.029   79.341   12.358  125.002   7.6916  106.962   8.5260 18.04051 11.48274 
1 1 1  -24    8   73 o   73.306   7.7657   39.333   7.2618   28.683   10.395   49.486   10.149   62.316   12.739   84.297   8.8846 -21.98092 15.53133 
1 1 1  -24    8   74 o   85.918   6.4622   51.412   7.4649   60.800   10.914   43.159   10.233   93.406   8.6223   78.430   9.6280 14.97602 12.92446 
1 1 1  -24    8   75 o   86.792   7.6006   54.472   8.5234   57.224   10.750   49.815   13.986   90.463   8.7694   83.120   12.417 7.343887 15.20118 
1 1 1  -24    8   76 o   80.809   7.7945   47.517   8.1814   50.160   10.406   43.241   13.239   84.478   9.0903   77.140   12.664 7.337677 15.58910 
1 1 1  -24    8   77 o   59.505   9.8674   27.534   8.8173   10.067   12.709   43.744   12.243   41.187   15.959   77.822   11.610 -36.63421 19.73475 
1 1 1  -24    8   78 o   68.024   10.136   35.734   9.0334   35.883   13.220   35.604   12.372   67.906   14.786   68.141   13.870 -0.2348938 20.27287 
1 1 1  -24    8   79 o   22.060   7.5811 -15.4961   6.9612 -12.0163   10.767 -17.9951   9.1247   24.496   11.681   19.623   9.6665 4.872595 15.16228 
1 1 1  -24    8   80 f   63.134   10.643   31.526   8.9575   34.338   13.273   29.175   12.138   65.667   15.214   60.601   14.888 5.065514 21.28647 
1 1 1  -24    8   81 o   84.246   11.743   52.344   13.406   0.0000   0.0000   52.344   13.406  ?   ?    84.246   11.743      ?      ? 
1 1 1  -24    9    1 o  226.865   4.4957  348.937   13.799  378.197   19.893  321.801   19.157  236.029   6.2193  217.702   6.4936 18.32713 8.991484 
1 1 1  -24    9    2 o   89.479   4.7681   54.102   5.7664   58.277   8.5385   50.601   7.8187   92.636   6.8018   86.323   6.6838 6.312706 9.536143 
1 1 1  -24    9    3 o  154.338   5.0725  161.753   10.603  160.464   14.714  163.144   15.291  153.704   7.0642  154.971   7.2813 -1.266312 10.14498 
1 1 1  -24    9    4 o  214.027   5.7361  311.447   16.608  309.851   24.175  312.874   22.856  213.487   8.3562  214.567   7.8604 -1.080139 11.47224 
1 1 1  -24    9    5 o  236.461   5.9505  380.780   19.034  364.777   27.352  395.805   26.503  231.607   8.7148  241.315   8.1045 -9.708328 11.90091 
1 1 1  -24    9    6 o  220.044   4.7868  327.208   13.213  324.643   15.889  332.959   23.794  218.742   5.3601  221.347   7.9325 -2.605057 9.573617 
1 1 1  -24    9    7 o  194.393   4.7583  260.388   11.693  267.534   14.283  245.866   20.360  198.575   5.3078  190.211   7.8988 8.364105 9.516514 
1 1 1  -24    9    8 o  101.560   8.3235   70.114   11.455   70.114   11.455   0.0000   0.0000  101.560   8.3235  ?   ?       ?      ? 
1 1 1  -24    9    9 o  355.131   7.8113  856.968   37.592  856.968   37.592   0.0000   0.0000  355.131   7.8113  ?   ?       ?      ? 
1 1 1  -24    9   10 o  277.372   5.2658  521.556   17.982  520.060   21.345  525.212   33.376  276.837   5.6897  277.907   8.8625 -1.070068 10.53168 
1 1 1  -24    9   11 o  152.644   4.6076  153.060   9.0625  142.671   11.041  174.509   15.865  145.002   5.6189  160.286   7.3041 -15.28400 9.215288 
1 1 1  -24    9   12 f   62.373   6.8739   27.773   5.4690   32.161   7.2823   22.097   8.2825   68.798   7.8110   55.947   11.313 12.85084 13.74773 
1 1 1  -24    9   13 o  139.171   4.9466  135.900   8.7610  145.773   10.914  118.016   14.690  146.574   5.4949  131.769   8.2269 14.80547 9.893210 
1 1 1  -24    9   14 o  275.450   5.3352  523.210   18.111  534.632   21.652  496.598   33.048  280.688   5.6922  270.212   9.0253 10.47574 10.67042 
1 1 1  -24    9   15 o  366.095   6.0265  904.961   26.676  897.488   31.254  925.010   51.192  363.606   6.3430  368.583   10.249 -4.977509 12.05310 
1 1 1  -24    9   16 o   88.442   5.5394   53.244   6.5039   53.616   8.4100   52.690   10.259   88.853   6.9846   88.031   8.5997 0.8219223 11.07875 
1 1 1  -24    9   17 o  200.268   5.3660  272.347   14.413  271.488   19.053  273.495   22.038  199.938   7.0322  200.598   8.1070 -0.6608582 10.73198 
1 1 1  -24    9   18 o  220.200   4.9932  327.728   13.755  325.212   16.504  333.449   24.891  218.922   5.5632  221.479   8.2932 -2.557037 9.986329 
1 1 1  -24    9   19 o  221.521   5.1025  340.459   14.094  352.420   17.058  314.730   25.018  227.897   5.5235  215.145   8.5810 12.75186 10.20504 
1 1 1  -24    9   20 o  226.553   5.0082  343.132   14.137  335.003   16.844  362.499   25.999  222.188   5.5944  230.917   8.3085 -8.728897 10.01644 
1 1 1  -24    9   21 o  162.316   4.8054  174.350   9.9351  166.153   12.005  192.162   17.697  156.473   5.6618  168.160   7.7661 -11.68665 9.610864 
1 1 1  -24    9   22 o   92.216   5.7924   59.995   6.8701   66.193   8.7421   49.985   11.110   98.736   6.5337   85.697   9.5665 13.03849 11.58479 
1 1 1  -24    9   23 o  232.472   5.5964  366.750   17.630  366.750   17.630   0.0000   0.0000  232.472   5.5964  ?   ?       ?      ? 
1 1 1  -24    9   24 o  253.146   5.7023  434.917   19.562  434.917   19.562   0.0000   0.0000  253.146   5.7023  ?   ?       ?      ? 
1 1 1  -24    9   25 f  435.534   6.7680  1288.27   35.433  1284.74   41.430  1297.89   68.372  434.893   7.0299  436.176   11.567 -1.282013 13.53599 
1 1 1  -24    9   26 o  235.450   5.5554  381.812   17.184  398.992   22.056  355.272   27.413  242.381   6.7149  228.519   8.8521 13.86157 11.11078 
1 1 1  -24    9   27 o  276.577   5.8570  530.651   21.219  567.049   27.317  475.281   33.692  288.920   6.9771  264.233   9.4094 24.68658 11.71396 
1 1 1  -24    9   28 o  116.141   5.7249   91.198   8.9226   88.186   11.739   95.318   13.730  113.907   7.6053  118.375   8.5591 -4.467911 11.44987 
1 1 1  -24    9   29 o  421.087   7.0409  1188.64   38.073  1149.54   46.529  1267.85   66.229  411.112   8.3518  431.062   11.338 -19.95050 14.08178 
1 1 1  -24    9   30 o  236.337   4.7218  379.590   15.109  374.173   21.740  384.651   21.013  234.691   6.8358  237.983   6.5157 -3.291534 9.443653 
1 1 1  -24    9   31 o  310.624   5.0760  655.173   21.352  668.532   30.887  642.945   29.550  313.644   7.2670  307.605   7.0889 6.038391 10.15197 
1 1 1  -24    9   32 o  176.962   4.6627  211.995   11.158  223.598   16.449  202.107   15.185  181.425   6.6905  172.499   6.4961 8.926163 9.325381 
1 1 1  -24    9   33 o  282.875   6.1861  549.786   21.986  530.674   38.939  558.729   26.638  278.987   10.300  286.763   6.8548 -7.776489 12.37221 
1 1 1  -24    9   34 o  114.996   6.5553   86.441   9.2321   98.563   17.780   81.967   10.802  120.179   10.918  109.813   7.2591 10.36531 13.11064 
1 1 1  -24    9   35 o  226.644   4.7583  347.742   14.585  369.942   21.466  328.704   19.879  233.333   6.7888  219.954   6.6692 13.37820 9.516647 
1 1 1  -24    9   36 o  384.268   5.6399  1004.49   29.362  975.446   41.362  1033.99   41.689  378.652   8.0608  389.883   7.8904 -11.23123 11.27989 
1 1 1  -24    9   37 f  326.328   5.2431  724.173   23.175  695.865   32.661  752.879   32.889  319.886   7.5345  332.771   7.2933 -12.88464 10.48625 
1 1 1  -24    9   38 o  252.546   4.8782  432.543   16.673  452.431   24.348  414.981   22.880  257.993   6.9641  247.100   6.8328 10.89352 9.756323 
1 1 1  -24    9   39 o  238.771   6.9857  389.105   22.582  407.767   31.889  370.335   31.982  244.557   9.6224  232.984   10.130 11.57312 13.97135 
1 1 1  -24    9   40 o  251.527   5.9849  430.569   19.149  431.407   33.453  430.161   23.353  251.496   9.8158  251.558   6.8504 -0.6245422E-01 11.96985 
1 1 1  -24    9   41 o  272.332   6.0211  495.792   20.726  530.768   37.230  480.084   24.949  278.930   9.8494  265.735   6.9283 13.19516 12.04213 
1 1 1  -24    9   42 o  315.553   5.2226  677.624   22.323  658.427   31.696  696.516   31.444  311.094   7.5185  320.011   7.2508 -8.917084 10.44519 
1 1 1  -24    9   43 o  265.890   4.9899  480.717   17.963  482.478   25.988  479.107   24.857  266.336   7.2004  265.444   6.9101 0.8919067 9.979716 
1 1 1  -24    9   44 o  273.579   5.0506  509.455   18.699  478.100   26.395  541.046   26.495  265.092   7.3476  282.066   6.9315 -16.97452 10.10117 
1 1 1  -24    9   45 o  227.484   4.9197  352.060   15.147  349.713   21.937  354.199   20.940  226.736   7.1397  228.231   6.7705 -1.494858 9.839454 
1 1 1  -24    9   46 o  296.991   5.1822  599.267   20.834  619.344   30.338  581.351   28.660  301.675   7.4211  292.307   7.2353 9.367828 10.36448 
1 1 1  -24    9   47 o  230.630   5.0246  362.350   15.676  352.522   22.662  371.368   21.708  227.595   7.3476  233.666   6.8557 -6.070877 10.04927 
1 1 1  -24    9   48 o  255.584   5.0604  444.511   17.508  444.337   25.344  444.670   24.216  255.511   7.3195  255.657   6.9898 -0.1460266 10.12089 
1 1 1  -24    9   49 o  267.219   6.2522  486.315   21.059  489.131   37.460  485.014   25.464  267.458   10.336  266.980   7.0383 0.4771423 12.50448 
1 1 1  -24    9   50 o  348.697   5.5175  828.432   26.062  821.992   37.279  834.589   36.451  347.343   7.9199  350.051   7.6841 -2.708130 11.03500 
1 1 1  -24    9   51 o  249.175   5.0598  422.193   17.069  432.878   24.784  412.549   23.544  252.155   7.2530  246.195   7.0568 5.960648 10.11954 
1 1 1  -24    9   52 o  200.784   5.0357  274.698   13.686  268.476   19.688  280.517   19.040  198.555   7.3170  203.013   6.9207 -4.457565 10.07144 
1 1 1  -24    9   53 o  234.312   5.0399  374.111   15.988  356.328   22.638  391.807   22.583  228.724   7.3038  239.901   6.9466 -11.17639 10.07971 
1 1 1  -24    9   54 o  354.027   6.9647  855.833   31.331  852.317   38.153  863.115   54.906  353.518   7.9641  354.536   11.428 -1.017639 13.92945 
1 1 1  -24    9   55 o  171.617   7.4616  200.760   17.353  200.760   17.353   0.0000   0.0000  171.617   7.4616  ?   ?       ?      ? 
1 1 1  -24    9   56 o  280.948   6.1682  531.825   22.497  513.758   27.839  565.834   38.195  274.487   7.4843  287.410   9.8067 -12.92300 12.33640 
1 1 1  -24    9   57 o  170.600   5.1910  198.491   11.974  198.386   17.525  198.583   16.399  170.520   7.5838  170.679   7.0901 -0.1589355 10.38192 
1 1 1  -24    9   58 o   84.903   6.9357   49.292   7.9455   51.060   11.882   47.862   10.686   86.237   10.167   83.569   9.4363 2.668343 13.87140 
1 1 1  -24    9   59 o  232.846   5.0686  370.410   15.973  356.826   22.881  383.322   22.309  228.626   7.3851  237.065   6.9443 -8.438721 10.13722 
1 1 1  -24    9   60 o  103.697   6.1040   73.417   8.5537   76.851   12.675   70.545   11.591  105.890   8.8334  101.505   8.4264 4.385071 12.20793 
1 1 1  -24    9   61 o  167.651   5.1532  192.111   11.683  191.144   17.059  192.965   16.033  167.206   7.5288  168.095   7.0383 -0.8894348 10.30634 
1 1 1  -24    9   62 o  199.547   5.0611  272.536   13.651  266.492   19.900  277.909   18.761  197.385   7.4396  201.710   6.8636 -4.325165 10.12211 
1 1 1  -24    9   63 o  164.220   7.0826  184.425   15.762   0.0000   0.0000  184.425   15.762  ?   ?   164.220   7.0826      ?      ? 
1 1 1  -24    9   65 o  254.824   5.1609  445.110   17.802  443.853   25.772  446.257   24.618  254.409   7.4755  255.239   7.1174 -0.8307190 10.32182 
1 1 1  -24    9   66 o  142.763   5.2834  139.587   10.204  145.152   14.969  134.756   13.946  145.384   7.5979  140.143   7.3436 5.241150 10.56675 
1 1 1  -24    9   67 o   69.756   7.7852   34.131   7.1053   42.110   10.552   27.512   9.6107   77.850   10.002   61.661   11.933 16.18902 15.57047 
1 1 1  -24    9   68 o   44.110   9.3088   13.789   6.4290   6.4413   9.3958   20.257   8.8157   35.673   13.750   52.547   12.552 -16.87396 18.61764 
1 1 1  -24    9   69 o  122.125   6.8703  100.440   10.806   93.327   13.162  115.151   18.927  116.150   8.3621  128.100   10.903 -11.95014 13.74065 
1 1 1  -24    9   70 o   99.045   6.1303   68.711   8.1443   59.335   11.737   77.420   11.311   92.264   9.3869  105.826   7.8871 -13.56212 12.26054 
1 1 1  -24    9   71 o  110.978   5.7439   85.896   8.5810   76.391   12.313   94.872   11.965  104.797   8.6701  117.159   7.5365 -12.36176 11.48783 
1 1 1  -24    9   72 o  101.812   5.9450   72.339   8.1747   68.891   11.866   75.454   11.278   99.364   8.8122  104.260   7.9824 -4.896652 11.89005 
1 1 1  -24    9   73 o   82.282   6.6271   48.165   7.2777   40.255   10.536   55.384   10.065   75.431   10.307   89.133   8.3327 -13.70208 13.25412 
1 1 1  -24    9   74 o   62.363   9.1891   30.047   7.4587   34.365   9.6108   23.507   11.827   69.609   10.189   55.117   15.296 14.49231 18.37824 
1 1 1  -24    9   75 o   91.522   7.2936   61.112   8.7048   66.319   11.239   53.305   13.761   97.226   8.5302   85.819   11.833 11.40678 14.58715 
1 1 1  -24    9   76 o   72.140   9.6556   39.632   9.1645   34.918   13.418   43.753   12.547   66.776   15.173   77.504   11.946 -10.72736 19.31126 
1 1 1  -24    9   77 o   82.595   8.9054   50.160   9.9374   52.849   14.760   47.931   13.440   84.447   12.898   80.744   12.283 3.702347 17.81090 
1 1 1  -24    9   78 o   74.731   9.5651   42.783   9.3169   44.542   13.625   41.239   12.769   76.080   13.720   73.383   13.331 2.697433 19.13026 
1 1 1  -24    9   79 o   39.366   14.270   10.835   9.8095   0.0000   0.0000   10.835   9.8095  ?   ?    39.366   14.270      ?      ? 
1 1 1  -24    9   80 o   67.351   13.330   35.220   11.736   0.0000   0.0000   35.220   11.736  ?   ?    67.351   13.330      ?      ? 
1 1 1  -24   10    1 o  419.317   6.9346  1184.35   37.424  1241.14   64.542  1155.58   45.933  426.461   11.168  412.172   8.2237 14.28815 13.86927 
1 1 1  -24   10    2 o  133.412   6.2609  120.868   11.319   0.0000   0.0000  120.868   11.319  ?   ?   133.412   6.2609      ?      ? 
1 1 1  -24   10    3 o  108.731   5.0920   80.138   7.4933   75.811   10.302   84.999   10.919  105.622   7.1978  111.840   7.2044 -6.217705 10.18391 
1 1 1  -24   10    4 o  252.334   5.1891  448.191   16.304  475.373   19.861  392.030   28.548  264.648   5.5380  240.020   8.7770 24.62735 10.37816 
1 1 1  -24   10    5 o  328.219   5.6871  742.099   22.926  755.691   27.319  709.732   42.155  333.623   6.0425  322.815   9.6364 10.80823 11.37421 
1 1 1  -24   10    6 o  393.586   6.2407  1048.00   29.676  1040.66   34.766  1067.72   56.963  391.438   6.5541  395.734   10.622 -4.296509 12.48132 
1 1 1  -24   10    7 o  167.577   5.4628  190.585   12.405  190.585   12.405   0.0000   0.0000  167.577   5.4628  ?   ?       ?      ? 
1 1 1  -24   10    8 o  229.757   4.9792  362.760   14.342  369.766   17.357  347.684   25.462  233.416   5.4874  226.099   8.3102 7.317184 9.958497 
1 1 1  -24   10    9 o  164.023   4.8283  187.645   10.152  199.441   12.702  166.779   16.893  171.426   5.4679  156.620   7.9595 14.80661 9.656663 
1 1 1  -24   10   10 o  224.536   5.1855  339.747   15.382  330.244   19.549  355.195   24.925  220.515   6.5421  228.557   8.0473 -8.042542 10.37102 
1 1 1  -24   10   11 o   94.609   5.4028   60.705   6.9181   56.830   9.5488   64.985   10.037   91.436   7.7064   97.782   7.5744 -6.345757 10.80559 
1 1 1  -24   10   12 o   70.435   6.4810   33.744   6.0881   42.265   8.8899   26.217   8.3547   78.832   8.3217   62.038   9.9378 16.79332 12.96191 
1 1 1  -24   10   13 o   69.571   7.4880   34.349   6.4197   52.956   9.4478   18.388   8.7501   88.257   7.8995   50.884   12.723 37.37240 14.97599 
1 1 1  -24   10   14 o  223.355   9.7430  339.764   29.490  339.764   29.490   0.0000   0.0000  223.355   9.7430  ?   ?       ?      ? 
1 1 1  -24   10   15 o  152.108   6.7756  157.159   13.966  157.159   13.966   0.0000   0.0000  152.108   6.7756  ?   ?       ?      ? 
1 1 1  -24   10   16 o  222.074   6.4425  335.420   19.103  337.125   29.698  334.217   24.950  222.470   9.8510  221.678   8.3054 0.7922974 12.88496 
1 1 1  -24   10   17 o  164.359   5.3163  187.316   11.590  209.419   15.522  159.471   17.423  175.600   6.5231  153.118   8.3966 22.48206 10.63263 
1 1 1  -24   10   18 o  389.442   6.7570  1053.45   34.441  1123.69   44.261  945.639   54.833  406.513   8.0346  372.371   10.866 34.14215 13.51408 
1 1 1  -24   10   19 o  334.894   6.1439  755.966   26.771  738.227   33.292  788.429   45.036  329.571   7.4543  340.217   9.7684 -10.64630 12.28775 
1 1 1  -24   10   20 o  266.044   5.2657  477.510   17.374  472.326   20.691  489.899   31.989  263.777   5.7886  268.311   8.7979 -4.533264 10.53137 
1 1 1  -24   10   21 o  108.758   5.3451   82.326   7.5728   88.442   9.6916   72.739   12.135  114.122   6.2668  103.393   8.6607 10.72966 10.69022 
1 1 1  -24   10   22 o  136.121   6.0260  125.806   11.116  125.806   11.116   0.0000   0.0000  136.121   6.0260  ?   ?       ?      ? 
1 1 1  -24   10   23 o  438.035   6.7928  1288.81   35.507  1269.08   41.221  1345.56   69.902  432.164   7.0386  443.906   11.620 -11.74265 13.58570 
1 1 1  -24   10   24 o  124.208   5.4427  109.385   8.5900  120.109   10.776   90.691   14.227  133.002   5.9786  115.414   9.0967 17.58794 10.88546 
1 1 1  -24   10   25 o  373.726   6.2665  973.261   28.628  1005.17   34.145  897.737   52.529  384.675   6.5501  362.776   10.685 21.89874 12.53303 
1 1 1  -24   10   26 o  128.773   5.1996  112.654   8.7017  112.482   10.861  112.962   14.542  128.695   6.2274  128.852   8.3283 -0.1570587 10.39911 
1 1 1  -24   10   27 o  187.299   4.9597  230.873   11.807  217.827   14.212  259.934   21.211  179.113   5.8551  195.484   8.0069 -16.37088 9.919335 
1 1 1  -24   10   28 o  537.292   7.9368  2022.31   51.709  2091.07   61.390  1854.41   95.932  554.392   8.1715  520.193   13.609 34.19836 15.87355 
1 1 1  -24   10   29 o  224.998   5.1318  336.144   14.467  323.878   17.266  365.046   26.503  218.400   5.8338  231.596   8.4445 -13.19595 10.26363 
1 1 1  -24   10   30 o  364.104   6.1259  888.744   26.956  872.503   31.502  933.156   52.091  358.366   6.4867  369.841   10.394 -11.47485 12.25171 
1 1 1  -24   10   31 o  186.538   4.6937  237.140   11.825  225.663   17.182  247.467   16.298  182.212   6.9584  190.865   6.3013 -8.653519 9.387467 
1 1 1  -24   10   32 o  283.494   6.1917  543.990   21.969  555.950   39.754  538.732   26.360  285.456   10.277  281.533   6.9092 3.922729 12.38337 
1 1 1  -24   10   33 o  365.530   6.6627  885.046   30.585  978.780   55.995  845.190   36.513  378.565   10.915  352.495   7.6438 26.07028 13.32544 
1 1 1  -24   10   34 o  202.904   5.7748  281.661   14.774  276.269   26.106  284.201   17.919  201.297   9.5701  204.512   6.4656 -3.214600 11.54954 
1 1 1  -24   10   35 o  341.759   6.4876  784.584   28.072  828.037   50.100  764.699   33.892  348.220   10.617  335.298   7.4590 12.92227 12.97526 
1 1 1  -24   10   36 o  211.168   5.7907  300.086   15.440  313.173   27.630  294.144   18.618  214.303   9.5140  208.034   6.6040 6.269302 11.58142 
1 1 1  -24   10   37 o  217.442   4.7464  321.614   13.967  317.057   20.206  325.783   19.327  215.946   6.9048  218.939   6.5142 -2.993057 9.492726 
1 1 1  -24   10   38 o  140.346   6.2503  129.347   11.241  120.145   13.607  149.118   19.946  132.882   7.5567  147.811   9.9581 -14.92928 12.50067 
1 1 1  -24   10   39 o  139.274   5.0556  130.384   9.4853  148.424   14.359  116.416   12.635  147.719   7.1729  130.829   7.1265 16.89041 10.11122 
1 1 1  -24   10   40 o  131.995   5.2585  119.256   9.3364  111.475   13.790  125.842   12.686  127.956   7.9528  136.034   6.8819 -8.078514 10.51701 
1 1 1  -24   10   41 o  413.473   8.4554  1164.87   47.376  1164.87   47.376   0.0000   0.0000  413.473   8.4554  ?   ?       ?      ? 
1 1 1  -24   10   42 o  345.256   5.4698  811.687   25.576  776.731   36.049  847.116   36.293  337.739   7.8764  352.772   7.5918 -15.03256 10.93951 
1 1 1  -24   10   43 o  104.990   8.1133   75.090   11.543   0.0000   0.0000   75.090   11.543  ?   ?   104.990   8.1133      ?      ? 
1 1 1  -24   10   44 o  213.631   4.9940  311.085   14.424  300.424   20.900  320.780   19.931  210.094   7.3411  217.167   6.7726 -7.073837 9.987973 
1 1 1  -24   10   45 o  236.163   7.1774  379.569   22.970  379.569   22.970   0.0000   0.0000  236.163   7.1774  ?   ?       ?      ? 
1 1 1  -24   10   46 o  154.106   5.0841  162.231   10.566  154.561   15.503  168.883   14.438  150.652   7.5938  157.560   6.7620 -6.907562 10.16812 
1 1 1  -24   10   47 o  125.394   6.8073  109.858   10.497  101.515   19.065  113.487   12.575  121.669   11.563  129.118   7.1869 -7.448730 13.61458 
1 1 1  -24   10   48 o  311.212   6.5065  651.762   25.489  687.526   45.972  635.888   30.628  316.855   10.707  305.569   7.3965 11.28568 13.01306 
1 1 1  -24   10   49 o  120.534   5.6805   99.718   9.2140   90.856   13.431  107.597   12.664  115.387   8.5898  125.680   7.4355 -10.29303 11.36095 
1 1 1  -24   10   50 o  240.234   5.0211  392.463   16.332  406.533   23.700  379.738   22.539  244.319   7.1582  236.149   7.0431 8.169586 10.04214 
1 1 1  -24   10   51 o  371.714   5.7036  939.073   28.676  1005.96   42.119  881.278   39.152  383.998   8.0941  359.431   8.0381 24.56720 11.40724 
1 1 1  -24   10   52 o  147.355   6.1886  146.936   12.103  141.620   15.489  155.269   19.393  144.076   7.9334  150.635   9.5003 -6.558838 12.37718 
1 1 1  -24   10   53 f  222.178   7.2758  336.512   21.906  336.512   21.906   0.0000   0.0000  222.178   7.2758  ?   ?       ?      ? 
1 1 1  -24   10   54 o  144.987   6.9219  146.168   12.681  150.096   15.492  138.193   22.077  148.299   7.7087  141.675   11.499 6.624619 13.84373 
1 1 1  -24   10   55 o  279.465   5.1895  533.246   19.639  516.145   27.974  549.868   27.578  274.999   7.5065  283.931   7.1676 -8.932312 10.37892 
1 1 1  -24   10   56 o  259.138   5.1125  458.760   17.935  441.098   25.593  475.804   25.140  254.180   7.4301  264.097   7.0247 -9.916229 10.22508 
1 1 1  -24   10   57 o  104.318   6.2935   76.071   8.7173   62.791   12.853   87.381   11.862   95.573   9.9243  113.062   7.7422 -17.48908 12.58710 
1 1 1  -24   10   58 o  143.864   5.3503  141.813   10.378  138.193   15.360  144.852   14.076  142.099   7.9767  145.628   7.1326 -3.528931 10.70060 
1 1 1  -24   10   59 o  137.793   5.4741  130.746   10.147  121.766   14.957  138.402   13.810  133.283   8.2812  142.303   7.1615 -9.019653 10.94828 
1 1 1  -24   10   60 o  121.987   7.1549  101.724   10.655  105.000   20.133  100.450   12.557  122.860   12.093  121.114   7.6510 1.745651 14.30980 
1 1 1  -24   10   61 o  150.853   6.8965  161.031   12.617  147.849   23.362  166.459   14.991  145.733   11.830  155.972   7.0923 -10.23895 13.79292 
1 1 1  -24   10   62 o   75.163   9.7272   44.041   8.6330   32.200   15.513   49.353   10.390   65.711   17.215   84.615   9.0616 -18.90388 19.45434 
1 1 1  -24   10   63 o  215.767   5.1336  317.889   14.942  332.717   22.413  306.028   20.046  220.186   7.5116  211.347   6.9992 8.839157 10.26711 
1 1 1  -24   10   64 o   92.348   6.5095   59.061   8.0984   58.270   12.076   59.708   10.917   91.677   9.7203   93.019   8.6608 -1.341690 13.01901 
1 1 1  -24   10   65 o   79.004   6.8773   43.081   7.3136   45.652   11.120   41.121   9.7092   80.985   10.132   77.023   9.3021 3.962494 13.75460 
1 1 1  -24   10   66 o   42.535   9.6215   12.260   6.3292   16.675   9.5779   8.8372   8.4328   47.729   13.938   37.342   13.267 10.38684 19.24297 
1 1 1  -24   10   67 o  157.008   6.4205  170.769   12.878  169.668   15.767  172.974   22.320  156.905   7.4151  157.110   10.484 -0.2054291 12.84092 
1 1 1  -24   10   68 o   65.403   9.9867   33.871   8.4481   39.742   10.544   23.344   14.119   75.242   10.341   55.564   17.088 19.67716 19.97335 
1 1 1  -24   10   69 o   73.976   7.6516   40.134   7.2079   29.388   10.382   50.135   10.015   63.098   12.583   84.854   8.7096 -21.75566 15.30315 
1 1 1  -24   10   70 o  151.163   5.1480  158.363   10.524  150.225   15.086  166.077   14.688  147.251   7.5604  155.074   6.9893 -7.822693 10.29610 
1 1 1  -24   10   71 o   53.290   10.100   20.550   7.3885   15.757   9.4419   28.122   11.867   45.951   13.944   60.629   14.614 -14.67807 20.19922 
1 1 1  -24   10   72 o   61.654   9.3472   29.918   7.6031   36.043   9.8549   20.911   11.950   71.250   10.207   52.059   15.662 19.19184 18.69441 
1 1 1  -24   10   73 o  154.063   6.0687  161.909   12.298  148.045   15.372  186.559   20.497  145.644   7.7886  162.482   9.3088 -16.83861 12.13737 
1 1 1  -24   10   74 o   51.098   10.300   20.412   7.4596   21.453   9.8082   18.982   11.489   52.748   13.625   49.447   15.449 3.301617 20.59913 
1 1 1  -24   10   75 o   78.664   9.5165   45.445   9.7404   60.745   15.087   34.509   12.755   90.883   12.250   66.446   14.567 24.43608 19.03297 
1 1 1  -24   10   76 o   53.920   11.314   23.958   8.9930   18.664   14.417   27.331   11.506   49.019   17.355   58.821   14.522 -9.802429 22.62899 
1 1 1  -24   10   77 o   46.544   15.230   16.937   11.068   0.0000   0.0000   16.937   11.068  ?   ?    46.544   15.230      ?      ? 
1 1 1  -24   10   78 o   49.989   15.190   20.084   11.200   0.0000   0.0000   20.084   11.200  ?   ?    49.989   15.190      ?      ? 
1 1 1  -24   10   79 o   45.762   15.258   16.530   11.090   0.0000   0.0000   16.530   11.090  ?   ?    45.762   15.258      ?      ? 
1 1 1  -24   11    1 o  280.453   6.1889  528.852   21.674  553.152   39.599  518.458   25.898  284.728   10.263  276.179   6.9198 8.549377 12.37789 
1 1 1  -24   11    2 o  244.092   4.6852  404.849   15.496  412.950   21.997  396.868   21.834  246.520   6.5846  241.664   6.6670 4.856628 9.370433 
1 1 1  -24   11    3 o  214.802   4.5755  313.497   13.318  311.550   18.881  315.425   18.789  214.135   6.5065  215.469   6.4348 -1.333908 9.151034 
1 1 1  -24   11    4 o  286.082   5.3295  555.315   18.760  553.564   22.259  559.611   34.855  285.524   5.7527  286.640   8.9733 -1.116028 10.65895 
1 1 1  -24   11    5 o  346.722   5.9202  833.857   25.118  855.889   29.926  781.325   46.209  354.970   6.2211  338.474   10.074 16.49628 11.84049 
1 1 1  -24   11    6 o  345.410   6.1900  810.376   28.974  810.376   28.974   0.0000   0.0000  345.410   6.1900  ?   ?       ?      ? 
1 1 1  -24   11    7 o  212.525   4.8888  308.418   13.072  310.918   15.822  303.038   23.205  214.011   5.4555  211.040   8.1141 2.971191 9.777573 
1 1 1  -24   11    8 o  219.041   4.8528  317.528   13.329  304.428   15.903  348.460   24.437  211.760   5.5418  226.322   7.9679 -14.56248 9.705617 
1 1 1  -24   11    9 o  298.022   5.4737  608.976   20.108  616.064   23.978  592.182   36.909  301.206   5.8746  294.838   9.2377 6.368103 10.94744 
1 1 1  -24   11   10 o  323.203   5.6877  715.354   22.555  721.843   26.794  699.575   41.783  326.018   6.0648  320.388   9.6238 5.630524 11.37537 
1 1 1  -24   11   11 o  325.344   5.6827  715.734   22.632  709.961   26.728  730.357   42.542  323.320   6.1004  327.369   9.5895 -4.048737 11.36546 
1 1 1  -24   11   12 o  379.413   6.2096  989.809   28.738  1002.77   34.045  957.677   53.602  384.185   6.5393  374.640   10.558 9.545105 12.41915 
1 1 1  -24   11   13 o  317.663   5.7012  701.078   22.352  723.258   26.824  650.695   40.428  326.338   6.0656  308.988   9.6552 17.35040 11.40236 
1 1 1  -24   11   14 o  325.462   5.6879  715.750   22.662  709.311   26.759  732.085   42.618  323.170   6.1102  327.753   9.5954 -4.583099 11.37571 
1 1 1  -24   11   15 o  295.573   5.9304  594.380   23.231  593.630   29.879  595.526   36.939  295.473   7.4622  295.672   9.2191 -0.1985779 11.86075 
1 1 1  -24   11   16 o  210.312   4.9460  298.694   13.139  295.353   15.879  305.948   23.397  208.574   5.6179  212.049   8.1420 -3.475128 9.892053 
1 1 1  -24   11   17 o  211.487   5.1905  318.493   13.758  347.668   17.014  263.376   23.385  226.298   5.5480  196.675   8.7741 29.62297 10.38100 
1 1 1  -24   11   18 o  340.198   5.9581  809.793   24.990  843.946   30.059  733.367   44.966  352.477   6.2931  327.918   10.119 24.55905 11.91621 
1 1 1  -24   11   19 o  353.067   6.4170  837.516   29.687  805.575   37.163  893.845   49.353  344.105   7.9696  362.030   10.060 -17.92535 12.83398 
1 1 1  -24   11   20 o  285.242   7.4594  553.277   28.834  553.277   28.834   0.0000   0.0000  285.242   7.4594  ?   ?       ?      ? 
1 1 1  -24   11   21 o  228.376   5.7424  354.150   17.772  354.150   17.772   0.0000   0.0000  228.376   5.7424  ?   ?       ?      ? 
1 1 1  -24   11   22 o  247.337   5.3465  428.080   16.500  449.025   20.064  384.316   29.003  257.149   5.7577  237.525   9.0105 19.62401 10.69297 
1 1 1  -24   11   23 o  292.007   5.4404  557.109   19.398  529.425   22.661  633.014   37.523  279.196   5.9895  304.819   9.0839 -25.62350 10.88079 
1 1 1  -24   11   24 o  217.343   5.0102  308.109   13.735  287.539   16.389  356.652   25.176  205.764   5.8775  228.922   8.1156 -23.15839 10.02034 
1 1 1  -24   11   25 o  218.550   5.6474  332.416   16.332  374.985   21.857  278.603   24.575  234.875   6.8671  202.225   8.9676 32.65012 11.29486 
1 1 1  -24   11   26 f  210.423   5.5931  306.654   15.621  336.056   20.775  268.408   23.694  222.342   6.8951  198.503   8.8084 23.83888 11.18615 
1 1 1  -24   11   27 o   80.848   6.9328   44.509   7.5885   47.127   10.977   42.112   10.502   83.125   9.7451   78.572   9.8634 4.553215 13.86553 
1 1 1  -24   11   28 f  162.489   5.5594  180.702   12.135  188.812   16.351  170.757   18.106  166.624   7.2412  158.354   8.4375 8.270721 11.11875 
1 1 1  -24   11   29 o  306.214   5.7312  646.198   21.731  658.223   26.048  618.670   39.411  311.258   6.1756  301.171   9.6566 10.08661 11.46241 
1 1 1  -24   11   30 o  220.826   5.6540  330.238   16.722  321.235   21.899  342.829   25.898  217.303   7.4366  224.349   8.5185 -7.045441 11.30793 
1 1 1  -24   11   31 o  259.462   5.8326  451.987   20.080  428.620   25.613  489.255   32.347  250.990   7.5306  267.935   8.9087 -16.94444 11.66512 
1 1 1  -24   11   32 o  265.872   5.3823  469.221   17.698  453.042   20.924  509.899   33.177  258.235   5.9793  273.509   8.9512 -15.27466 10.76455 
1 1 1  -24   11   33 o   95.336   6.1636   62.982   7.6981   66.494   9.8732   57.536   12.294   98.861   7.3697   91.811   9.8816 7.049980 12.32719 
1 1 1  -24   11   34 o  205.925   5.5129  284.881   14.997  272.546   19.001  305.266   24.425  200.182   7.0042  211.667   8.5153 -11.48561 11.02581 
1 1 1  -24   11   35 o  259.598   4.9264  458.768   17.313  446.210   24.826  470.659   24.157  256.109   7.1533  263.086   6.7757 -6.976746 9.852870 
1 1 1  -24   11   36 o  238.470   6.2179  392.788   18.899  403.337   23.264  372.320   32.407  243.500   7.0502  233.439   10.244 10.06082 12.43584 
1 1 1  -24   11   37 o  384.595   7.1121  1006.49   34.777  999.076   42.335  1021.86   60.989  382.961   8.1575  386.228   11.653 -3.266510 14.22419 
1 1 1  -24   11   38 o  136.397   5.3044  125.497   9.7550  138.406   14.725  115.400   13.023  142.582   7.6209  130.212   7.3802 12.36925 10.60874 
1 1 1  -24   11   39 o  249.962   4.9571  423.720   16.752  444.554   24.742  406.085   22.763  255.597   7.1432  244.327   6.8751 11.27068 9.914259 
1 1 1  -24   11   40 o  206.629   4.8875  291.449   13.637  274.318   19.741  307.086   18.860  200.758   7.2564  212.499   6.5495 -11.74072 9.774991 
1 1 1  -24   11   41 o  267.176   5.0232  486.279   18.162  475.101   26.198  496.621   25.200  264.181   7.3179  270.170   6.8831 -5.989594 10.04636 
1 1 1  -24   11   42 o  229.111   4.9292  358.081   15.266  334.959   21.837  380.181   21.349  221.818   7.2647  236.405   6.6641 -14.58763 9.858349 
1 1 1  -24   11   43 o  193.265   4.9112  252.490   12.818  276.514   19.107  232.834   17.284  201.561   6.9954  184.969   6.8953 16.59222 9.822455 
1 1 1  -24   11   44 o  182.930   4.9804  228.986   12.259  198.747   17.396  258.820   17.279  170.811   7.5154  195.050   6.5372 -24.23895 9.960714 
1 1 1  -24   11   45 o  168.773   5.0350  194.845   11.462  178.813   16.526  209.707   15.912  162.003   7.5277  175.542   6.6889 -13.53918 10.07010 
1 1 1  -24   11   46 o  176.117   6.1830  207.614   13.569  222.435   25.015  201.435   16.152  180.231   10.242  172.004   6.9295 8.227737 12.36595 
1 1 1  -24   11   47 o  270.311   5.1547  496.321   18.840  520.099   27.791  476.101   25.628  276.255   7.4236  264.367   7.1536 11.88858 10.30937 
1 1 1  -24   11   48 o  125.487   6.3050  106.908   10.563  103.604   13.711  111.733   16.569  123.200   8.2126  127.774   9.5689 -4.573990 12.60992 
1 1 1  -24   11   49 o   61.832   9.8976   28.000   8.1342   33.137   11.060   21.948   12.004   68.326   12.402   55.339   15.428 12.98696 19.79524 
1 1 1  -24   11   50 o  262.418   5.1241  469.220   18.210  478.310   26.321  460.875   25.220  264.834   7.3341  260.002   7.1579 4.831757 10.24816 
1 1 1  -24   11   51 o  150.981   5.2051  156.026   10.610  147.911   15.425  163.313   14.617  147.190   7.7333  154.773   6.9692 -7.583084 10.41028 
1 1 1  -24   11   52 f  220.709   6.3194  336.223   17.798  341.603   21.875  325.688   30.610  223.751   7.2144  217.667   10.377 6.084229 12.63883 
1 1 1  -24   11   53 o   81.134   7.1256   44.084   7.6926   57.990   11.891   34.077   10.088   91.913   9.5470   70.355   10.581 21.55857 14.25126 
1 1 1  -24   11   54 o  110.862   5.9349   86.288   8.6761   66.541   12.654  103.807   11.919   98.425   9.4872  123.298   7.1334 -24.87284 11.86979 
1 1 1  -24   11   55 o   85.915   6.7787   50.815   7.8118   50.375   11.895   51.149   10.359   85.494   10.267   86.336   8.8538 -0.8414383 13.55733 
1 1 1  -24   11   56 o  217.631   5.0345  323.742   14.813  323.732   21.694  323.751   20.276  217.563   7.3584  217.699   6.8730 -0.1358185 10.06897 
1 1 1  -24   11   57 o   94.258   8.3439   64.732   9.2080   55.554   17.629   68.176   10.798   88.796   14.650   99.719   7.9907 -10.92319 16.68781 
1 1 1  -24   11   58 o   88.029   10.047   63.684   9.3890   40.941   18.463   71.617   10.904   73.878   18.487  102.180   7.8749 -28.30209 20.09427 
1 1 1  -24   11   59 o  118.318   5.6919   95.891   9.0616   98.417   13.727   93.940   12.063  119.608   8.4692  117.027   7.6068 2.581139 11.38375 
1 1 1  -24   11   60 o   64.873   8.3397   30.316   7.0203   27.622   10.825   32.272   9.2227   61.504   13.369   68.242   9.9730 -6.737770 16.67944 
1 1 1  -24   11   61 o   89.236   8.0816   57.892   8.7774   50.309   15.858   61.241   10.539   84.189   13.900   94.284   8.2485 -10.09466 16.16311 
1 1 1  -24   11   62 o   51.746   9.5081   19.335   6.6524   22.211   10.403   17.346   8.6530   54.827   13.963   48.665   12.909 6.162556 19.01629 
1 1 1  -24   11   63 f  103.578   6.0331   75.462   8.3147   62.303   12.143   87.076   11.408   94.689   9.4637  112.467   7.4855 -17.77857 12.06621 
1 1 1  -24   11   64 o   72.711   7.3010   37.116   7.1435   35.868   10.639   38.140   9.6393   71.441   10.990   73.981   9.6148 -2.540100 14.60191 
1 1 1  -24   11   65 o   56.507   8.9272   22.970   6.6634   30.021   10.215   17.749   8.7914   64.066   12.212   48.948   13.025 15.11733 17.85450 
1 1 1  -24   11   66 o   41.798   10.622   11.500   7.5968   12.843   9.5903   9.2390   12.446   42.665   14.187   40.931   15.811 1.733749 21.24327 
1 1 1  -24   11   67 o   75.662   7.1383   40.147   7.3037   43.054   10.756   37.660   9.9492   78.177   10.153   73.148   10.037 5.028915 14.27663 
1 1 1  -24   11   68 o   65.006   8.0852   30.217   6.8986   37.618   10.345   24.290   9.2574   72.873   10.476   57.139   12.318 15.73364 16.17042 
1 1 1  -24   11   69 o   50.559   9.5303   20.279   7.3921   29.417   9.6476   7.2878   11.504   63.143   11.706   37.975   15.043 25.16873 19.06066 
1 1 1  -24   11   70 o   67.073   9.0000   32.028   7.9029   26.061   10.103   41.437   12.686   58.678   13.043   75.467   12.404 -16.78884 17.99994 
1 1 1  -24   11   71 o   68.023   8.9415   33.137   7.9568   27.493   10.170   42.046   12.777   60.233   12.851   75.813   12.436 -15.58005 17.88293 
1 1 1  -24   11   72 o  108.226   7.9563   85.716   11.525   76.774   17.015   93.297   15.665  102.287   12.275  114.164   10.126 -11.87717 15.91262 
1 1 1  -24   11   73 o   30.542   9.0992   2.2900   6.4319   3.5285   8.6310   0.7432   9.6454   31.043   12.764   30.041   12.972 1.002176 18.19843 
1 1 1  -24   11   74 o   56.629   10.973   25.894   8.6188   25.098   13.331   26.466   11.297   55.429   16.512   57.829   14.455 -2.399235 21.94587 
1 1 1  -24   11   75 o  123.845   9.8949  110.539   16.606   0.0000   0.0000  110.539   16.606  ?   ?   123.845   9.8949      ?      ? 
1 1 1  -24   11   76 o   89.502   11.351   59.042   13.767   0.0000   0.0000   59.042   13.767  ?   ?    89.502   11.351      ?      ? 
1 1 1  -24   11   77 o   43.132   15.233   14.150   11.100   0.0000   0.0000   14.150   11.100  ?   ?    43.132   15.233      ?      ? 
1 1 1  -24   12    1 o  196.820   4.5986  263.409   12.255  277.029   17.386  249.960   17.276  201.892   6.3548  191.747   6.6486 10.14500 9.197206 
1 1 1  -24   12    2 o  327.163   5.1961  728.186   23.033  727.682   32.250  728.710   32.906  327.060   7.2765  327.265   7.4197 -0.2050781 10.39228 
1 1 1  -24   12    3 o  134.198   4.7391  122.436   8.6182  122.778   12.160  122.091   12.216  134.388   6.6771  134.008   6.7270 0.3801270 9.478192 
1 1 1  -24   12    4 o  246.849   6.7094  414.257   22.444  414.257   22.444   0.0000   0.0000  246.849   6.7094  ?   ?       ?      ? 
1 1 1  -24   12    5 o  266.558   5.6393  489.851   19.757  511.216   25.368  456.909   31.499  274.207   6.8269  258.909   8.9777 15.29800 11.27853 
1 1 1  -24   12    6 o  145.484   5.1916  143.051   10.146  137.335   13.379  150.787   15.566  142.116   6.9471  148.852   7.7167 -6.735733 10.38314 
1 1 1  -24   12    7 o  195.164   5.3278  263.924   13.768  287.329   18.175  232.404   21.091  205.606   6.5230  184.721   8.4257 20.88467 10.65563 
1 1 1  -24   12    8 o  263.712   5.5528  466.543   19.249  446.744   24.190  500.716   31.781  256.321   6.9642  271.102   8.6507 -14.78159 11.10561 
1 1 1  -24   12    9 o  255.571   5.5243  440.774   18.587  429.184   23.493  460.171   30.391  251.242   6.9003  259.900   8.6289 -8.658325 11.04866 
1 1 1  -24   12   10 o   88.449   5.9586   53.387   7.1170   48.139   10.042   58.682   10.088   84.052   8.8167   92.846   8.0178 -8.793900 11.91719 
1 1 1  -24   12   11 o  147.927   5.3122  150.123   10.532  159.199   14.162  138.893   15.753  153.024   6.8295  142.830   8.1387 10.19325 10.62448 
1 1 1  -24   12   12 o  109.691   5.5249   81.904   8.2073   82.392   11.424   81.384   11.799  110.037   7.6613  109.344   7.9626 0.6934967 11.04980 
1 1 1  -24   12   13 o  160.199   5.4883  173.842   11.871  154.264   16.242  196.296   17.393  150.542   7.9614  169.855   7.5565 -19.31361 10.97656 
1 1 1  -24   12   14 o   94.062   6.4020   61.244   8.0297   52.872   11.910   68.220   10.872   88.017   9.9855  100.107   8.0143 -12.09103 12.80391 
1 1 1  -24   12   15 o  253.693   5.2146  433.624   16.470  427.343   19.656  448.426   30.174  250.832   5.7827  256.554   8.6791 -5.722122 10.42910 
1 1 1  -24   12   16 o  259.934   5.3128  463.132   17.220  468.625   20.713  450.835   30.987  262.663   5.8192  257.206   8.8904 5.457611 10.62557 
1 1 1  -24   12   17 o  203.519   4.9320  272.585   12.704  257.558   15.237  306.849   23.009  194.729   5.7743  212.309   7.9972 -17.58066 9.863987 
1 1 1  -24   12   18 o  145.973   5.0194  145.476   9.4984  146.880   11.852  142.956   15.880  147.042   5.9482  144.904   8.0869 2.137665 10.03887 
1 1 1  -24   12   19 o  276.504   5.8829  519.359   22.043  519.359   22.043   0.0000   0.0000  276.504   5.8829  ?   ?       ?      ? 
1 1 1  -24   12   20 o  250.596   5.4190  444.548   16.898  475.276   20.630  381.912   29.454  264.522   5.7551  236.671   9.1837 27.85063 10.83803 
1 1 1  -24   12   21 o  142.492   4.9743  134.742   9.2552  126.359   11.476  150.337   15.653  136.364   6.2104  148.619   7.7721 -12.25528 9.948571 
1 1 1  -24   12   22 o  335.566   5.8384  755.221   23.868  740.662   28.026  793.657   45.535  330.134   6.2645  340.999   9.8540 -10.86444 11.67673 
1 1 1  -24   12   23 o  206.999   5.0387  284.300   13.209  272.175   15.891  311.409   23.760  200.162   5.8583  213.836   8.1995 -13.67427 10.07732 
1 1 1  -24   12   24 o  168.916   4.9605  185.873   10.780  169.842   13.075  219.911   19.051  158.098   6.1027  179.734   7.8219 -21.63574 9.920902 
1 1 1  -24   12   25 o  175.100   5.0151  201.211   11.302  186.605   13.742  231.742   19.868  165.713   6.1193  184.487   7.9471 -18.77388 10.03011 
1 1 1  -24   12   26 o  103.909   9.1266   73.634   12.851   73.634   12.851   0.0000   0.0000  103.909   9.1266  ?   ?       ?      ? 
1 1 1  -24   12   27 o   50.275   12.747   18.011   8.6963   18.011   8.6963   0.0000   0.0000   50.275   12.747  ?   ?       ?      ? 
1 1 1  -24   12   28 o  208.613   5.1735  291.715   13.651  284.132   16.462  308.404   24.423  204.490   5.9408  212.736   8.4717 -8.246017 10.34707 
1 1 1  -24   12   29 o   66.922   8.8804   33.431   7.5657   22.140   11.657   41.648   9.9446   55.723   15.073   78.122   9.3936 -22.39921 17.76072 
1 1 1  -24   12   30 f  269.277   5.5491  500.251   18.657  510.929   22.522  476.897   33.306  274.190   6.0613  264.365   9.2968 9.825195 11.09822 
1 1 1  -24   12   31 o  125.992   5.5832  108.545   9.2509  109.949   11.785  106.290   14.932  127.138   6.8402  124.845   8.8261 2.293610 11.16635 
1 1 1  -24   12   32 o  101.930   5.9963   69.618   8.1423   64.709   10.446   77.218   12.998   97.469   7.9085  106.391   9.0155 -8.921959 11.99262 
1 1 1  -24   12   33 o   86.644   6.7236   53.202   7.5645   60.506   9.8608   42.757   11.792   94.259   7.7199   79.030   11.010 15.22829 13.44716 
1 1 1  -24   12   34 o   94.514   6.2070   61.826   7.6807   64.728   9.8154   57.242   12.336   97.507   7.4284   91.522   9.9461 5.984596 12.41393 
1 1 1  -24   12   35 o  148.951   6.2288  150.843   12.573  150.843   12.573   0.0000   0.0000  148.951   6.2288  ?   ?       ?      ? 
1 1 1  -24   12   36 o  235.333   5.3611  374.745   15.741  370.976   18.839  383.463   28.652  233.618   5.9507  237.049   8.9194 -3.430725 10.72223 
1 1 1  -24   12   37 o  106.637   6.2192   80.447   8.5328   88.567   10.857   67.325   13.801  114.072   7.0233   99.202   10.266 14.86971 12.43835 
1 1 1  -24   12   38 f  192.413   4.9010  253.659   12.679  220.173   18.100  285.925   17.767  179.796   7.4288  205.029   6.3947 -25.23291 9.802008 
1 1 1  -24   12   39 o  223.588   4.9001  340.606   14.816  335.105   21.564  345.524   20.391  221.839   7.1732  225.336   6.6775 -3.496597 9.800200 
1 1 1  -24   12   40 o  298.747   5.1711  608.469   20.915  582.762   29.737  633.635   29.422  292.455   7.5033  305.038   7.1176 -12.58289 10.34213 
1 1 1  -24   12   41 f  157.960   4.9717  168.436   10.582  183.737   16.040  156.643   14.081  164.237   7.2071  151.684   6.8506 12.55298 9.943429 
1 1 1  -24   12   42 o  200.661   4.8821  273.997   13.239  276.841   19.498  271.565   18.034  201.591   7.1374  199.730   6.6631 1.861115 9.764148 
1 1 1  -24   12   43 o  204.646   5.7609  287.580   15.599  294.352   20.136  277.419   24.666  207.846   7.1491  201.445   9.0357 6.401718 11.52184 
1 1 1  -24   12   44 o   89.765   8.8452   56.566   10.351   51.594   16.697   59.670   13.192   86.264   14.283   93.265   10.438 -7.001160 17.69043 
1 1 1  -24   12   45 o  180.963   6.9276  226.411   16.778  209.462   25.222  239.862   22.470  174.647   10.657  187.279   8.8537 -12.63153 13.85511 
1 1 1  -24   12   46 o  139.150   5.2944  132.865   9.9049  125.022   14.698  139.390   13.406  135.296   8.0166  143.004   6.9179 -7.707748 10.58880 
1 1 1  -24   12   47 o  152.822   5.0863  158.726   10.477  164.777   15.772  153.949   14.016  155.376   7.4907  150.269   6.8827 5.106613 10.17261 
1 1 1  -24   12   48 o  131.256   5.4236  117.039   9.5867  123.189   14.530  112.298   12.758  134.248   7.9867  128.263   7.3399 5.984726 10.84721 
1 1 1  -24   12   49 o  315.312   5.3447  679.431   22.819  674.711   32.876  683.819   31.698  314.198   7.7214  316.426   7.3922 -2.227448 10.68950 
1 1 1  -24   12   50 o  115.406   7.3091   90.866   10.938   88.807   13.555   94.709   18.521  113.809   8.7888  117.003   11.681 -3.194084 14.61823 
1 1 1  -24   12   51 o   86.847   9.4101   57.889   9.7980   68.781   12.393   39.731   16.001  100.073   9.1386   73.622   16.452 26.45058 18.82017 
1 1 1  -24   12   52 o  223.061   5.0293  339.959   15.160  341.808   22.318  338.376   20.657  223.554   7.3669  222.569   6.8487 0.9845428 10.05863 
1 1 1  -24   12   53 o  173.794   6.3358  201.331   13.541  222.947   25.708  193.030   15.931  179.558   10.565  168.030   6.9962 11.52815 12.67158 
1 1 1  -24   12   54 o   38.370   9.7214   8.1309   7.4492 -15.4411   15.437   15.286   8.5050   30.646   14.427   46.095   13.034 -15.44916 19.44289 
1 1 1  -24   12   55 o  128.821   5.6432  114.984   9.7044  107.004   14.754  121.068   12.883  124.678   8.7324  132.963   7.1502 -8.284599 11.28633 
1 1 1  -24   12   56 o  188.320   5.0220  242.713   12.770  246.314   18.934  239.708   17.297  189.518   7.3724  187.121   6.8213 2.397400 10.04400 
1 1 1  -24   12   57 o  121.666   5.7360  104.632   9.1905   81.728   13.554  124.125   12.504  108.735   9.1985  134.596   6.8554 -25.86090 11.47208 
1 1 1  -24   12   58 o  129.442   5.4690  116.453   9.4706  105.892   14.162  124.996   12.737  123.893   8.4354  134.990   6.9630 -11.09718 10.93802 
1 1 1  -24   12   59 o   65.821   9.5297   30.039   7.6281   34.742   14.461   28.225   8.9789   68.036   15.961   63.606   10.417 4.430023 19.05933 
1 1 1  -24   12   60 o  155.377   5.2909  164.841   11.040  176.572   16.999  156.283   14.519  159.995   7.8403  150.760   7.1067 9.234207 10.58183 
1 1 1  -24   12   61 o  196.316   5.0992  267.112   13.474  242.013   19.550  289.824   18.597  187.251   7.7043  205.382   6.6820 -18.13045 10.19832 
1 1 1  -24   12   62 o   74.271   7.6461   40.096   7.2806   35.124   11.257   43.672   9.5460   69.310   12.442   79.233   8.8906 -9.923485 15.29218 
1 1 1  -24   12   63 o   70.297   7.4586   34.582   7.0437   36.694   10.809   33.024   9.2860   72.009   11.077   68.585   9.9912 3.424423 14.91723 
1 1 1  -24   12   64 o   35.132   10.131   4.7530   7.5178   6.8764   9.3116   0.7775   12.741   35.657   13.703   34.608   14.926 1.049217 20.26204 
1 1 1  -24   12   65 o  114.018   7.0026   81.952   10.193   63.368   12.183  125.322   18.612   94.953   9.4681  133.083   10.320 -38.12987 14.00530 
1 1 1  -24   12   66 o   49.291   10.220   18.011   7.2721   14.604   9.6399   22.511   11.078   44.458   14.185   54.124   14.716 -9.666416 20.43972 
1 1 1  -24   12   67 o   65.324   10.885   32.032   9.4021   41.801   14.897   25.564   12.121   73.396   15.466   57.253   15.321 16.14344 21.76999 
1 1 1  -24   12   68 o   70.196   10.683   41.147   9.9790   24.530   15.840   52.082   12.850   55.382   18.224   85.010   11.154 -29.62783 21.36668 
1 1 1  -24   12   69 o   89.700   7.2806   55.652   8.6873   44.502   11.198   72.510   13.768   78.711   10.498  100.690   10.091 -21.97887 14.56124 
1 1 1  -24   12   70 o   61.562   9.5274   29.615   7.6268   31.429   9.9027   26.971   11.957   64.802   11.708   58.322   15.034 6.480476 19.05470 
1 1 1  -24   12   71 o   97.951   6.9266   64.870   8.9189   52.335   11.109   87.602   14.960   85.519   9.5860  110.383   10.001 -24.86412 13.85318 
1 1 1  -24   12   72 o  130.939   7.5363  125.751   13.222  112.379   19.408  137.332   18.061  123.571   11.590  138.307   9.6362 -14.73602 15.07267 
1 1 1  -24   12   73 o   47.690   15.197   18.091   11.067   0.0000   0.0000   18.091   11.067  ?   ?    47.690   15.197      ?      ? 
1 1 1  -24   12   74 o   73.524   13.501   42.129   12.956   0.0000   0.0000   42.129   12.956  ?   ?    73.524   13.501      ?      ? 
1 1 1  -24   12   75 o   46.850   15.520   17.624   11.481   0.0000   0.0000   17.624   11.481  ?   ?    46.850   15.520      ?      ? 
1 1 1  -24   12   76 o  130.227   10.220  124.015   18.035   0.0000   0.0000  124.015   18.035  ?   ?   130.227   10.220      ?      ? 
1 1 1  -24   13    1 o  293.393   5.0217  585.802   19.959  606.328   28.345  565.619   28.108  298.507   7.0072  288.279   7.1950 10.22812 10.04333 
1 1 1  -24   13    2 o   95.827   8.4539   59.537   9.1311   56.961   10.260   69.349   20.023   91.419   8.2820  100.236   14.741 -8.817261 16.90786 
1 1 1  -24   13    3 o  244.466   4.8256  406.429   15.984  399.586   22.363  413.576   22.855  242.365   6.8088  246.567   6.8400 -4.202011 9.651188 
1 1 1  -24   13    4 o  178.257   4.7114  216.096   11.379  217.012   16.247  215.213   15.943  178.623   6.7121  177.891   6.6135 0.7319946 9.422832 
1 1 1  -24   13    5 o  250.655   5.3111  437.154   16.513  452.258   19.908  403.837   29.566  258.002   5.6939  243.308   8.9672 14.69383 10.62224 
1 1 1  -24   13    6 o  245.866   5.2538  414.567   16.052  419.336   19.255  403.703   29.062  248.432   5.7195  243.299   8.8145 5.133392 10.50754 
1 1 1  -24   13    7 o  191.287   4.9476  241.820   11.997  229.736   14.423  268.947   21.610  183.878   5.7883  198.695   8.0257 -14.81749 9.895291 
1 1 1  -24   13    8 o  130.802   5.0408  112.066   8.6329  100.826   10.690  133.146   14.638  121.772   6.4779  139.832   7.7250 -18.05974 10.08163 
1 1 1  -24   13    9 o  113.773   5.3560   88.439   8.0155   89.461   10.211   86.797   12.939  114.700   6.5691  112.846   8.4614 1.853828 10.71206 
1 1 1  -24   13   10 o  153.119   5.0571  160.499   10.012  162.832   12.470  156.266   16.793  154.795   5.9447  151.443   8.1828 3.351761 10.11422 
1 1 1  -24   13   11 o  217.294   5.6098  320.115   16.375  310.897   21.632  332.485   25.058  213.712   7.4694  220.876   8.3719 -7.164520 11.21962 
1 1 1  -24   13   12 o  323.026   6.2495  711.066   26.683  709.173   34.144  714.037   42.767  322.703   7.8079  323.350   9.7602 -0.6469727 12.49896 
1 1 1  -24   13   13 o  216.886   5.1363  318.952   14.046  316.943   16.972  323.320   25.026  215.977   5.7987  217.794   8.4794 -1.817078 10.27251 
1 1 1  -24   13   14 o  169.305   4.9897  190.596   10.897  181.275   13.340  209.292   18.893  163.319   6.0277  175.291   7.9533 -11.97234 9.979383 
1 1 1  -24   13   15 o  113.705   5.3166   84.487   8.0154   71.146   10.142  106.679   13.081  102.243   7.3201  125.167   7.7123 -22.92422 10.63314 
1 1 1  -24   13   16 o  136.292   5.1940  125.262   9.2820  121.949   11.659  130.996   15.339  133.926   6.4240  138.659   8.1636 -4.732605 10.38802 
1 1 1  -24   13   17 o  187.913   5.8811  239.951   14.976  239.951   14.976   0.0000   0.0000  187.913   5.8811  ?   ?       ?      ? 
1 1 1  -24   13   18 o  242.719   5.8788  400.334   19.336  400.334   19.336   0.0000   0.0000  242.719   5.8788  ?   ?       ?      ? 
1 1 1  -24   13   19 o  260.858   5.3307  454.114   17.259  441.049   20.483  486.092   32.045  254.755   5.9333  266.961   8.8579 -12.20665 10.66149 
1 1 1  -24   13   20 o  177.632   5.0001  204.483   11.390  185.398   13.751  246.189   20.327  165.151   6.1442  190.114   7.8901 -24.96283 10.00029 
1 1 1  -24   13   21 o  244.673   5.3700  415.770   16.465  430.094   20.007  385.710   28.983  251.575   5.8686  237.771   8.9949 13.80389 10.74008 
1 1 1  -24   13   22 o  105.104   5.7116   74.665   7.9915   72.183   10.298   78.423   12.670  102.974   7.3799  107.233   8.7193 -4.259766 11.42315 
1 1 1  -24   13   23 o  299.526   5.6292  606.078   20.777  598.967   24.628  623.631   38.694  296.839   6.1225  302.213   9.4482 -5.374451 11.25849 
1 1 1  -24   13   24 f  135.942   5.2455  123.142   9.3651  115.633   11.714  136.444   15.590  130.386   6.6297  141.497   8.1306 -11.11147 10.49098 
1 1 1  -24   13   25 o  212.681   5.1933  308.703   13.923  310.026   16.863  305.870   24.677  213.586   5.8260  211.777   8.5988 1.809006 10.38661 
1 1 1  -24   13   26 o   53.592   8.7550   20.724   6.2362   23.214   8.4655   17.769   9.2216   57.233   11.316   49.951   13.362 7.282394 17.50992 
1 1 1  -24   13   27 o  139.618   5.7456  131.866   10.807  113.381   14.656  153.889   15.997  128.949   8.3873  150.286   7.8549 -21.33768 11.49115 
1 1 1  -24   13   28 o  180.208   5.5929  217.400   13.531  192.473   17.732  252.143   20.934  168.076   7.7854  192.339   8.0318 -24.26315 11.18575 
1 1 1  -24   13   29 o  219.889   5.1405  318.282   14.229  301.095   16.990  358.650   26.039  210.456   5.9575  229.322   8.3790 -18.86693 10.28098 
1 1 1  -24   13   30 o  125.589   5.6539  110.457   9.1981  119.111   11.706   96.490   14.871  132.321   6.5282  118.856   9.2329 13.46412 11.30771 
1 1 1  -24   13   31 o  189.868   5.2084  238.120   12.660  224.139   15.343  267.946   22.409  181.540   6.2367  198.197   8.3434 -16.65756 10.41672 
1 1 1  -24   13   32 o  158.529   5.8961  170.712   12.553  166.200   16.578  176.774   19.218  156.148   7.8347  160.911   8.8132 -4.762894 11.79213 
1 1 1  -24   13   33 o  191.116   7.5267  248.889   19.493  248.889   19.493   0.0000   0.0000  191.116   7.5267  ?   ?       ?      ? 
1 1 1  -24   13   34 o  212.533   6.0089  307.192   17.306  307.192   17.306   0.0000   0.0000  212.533   6.0089  ?   ?       ?      ? 
1 1 1  -24   13   35 o   59.965   8.6029   26.133   6.7773   31.430   9.0769   19.460   10.188   67.760   9.8851   52.170   14.083 15.58965 17.20573 
1 1 1  -24   13   36 o  128.519   5.9165  112.721   10.237  112.407   13.710  113.118   15.389  128.371   7.8813  128.667   8.8262 -0.2958527 11.83291 
1 1 1  -24   13   37 o  256.595   5.8347  448.706   19.739  446.071   25.131  452.950   31.893  255.833   7.2488  257.355   9.1450 -1.522156 11.66949 
1 1 1  -24   13   38 o   97.624   6.6980   65.849   8.7739   71.708   11.980   59.070   12.886  102.436   8.6299   92.811   10.246 9.624939 13.39604 
1 1 1  -24   13   39 o  105.227   6.4325   74.547   9.0754   61.298   12.074   91.753   13.759   94.616   9.4170  115.839   8.7653 -21.22301 12.86509 
1 1 1  -24   13   40 o  196.205   5.3338  259.995   13.323  254.990   16.190  270.492   23.447  193.537   6.1730  198.874   8.7001 -5.336563 10.66758 
1 1 1  -24   13   41 o  213.843   5.6737  305.802   16.055  283.854   20.308  342.382   26.217  203.970   7.3471  223.716   8.6478 -19.74623 11.34746 
1 1 1  -24   13   42 o  243.933   4.9861  405.808   16.443  406.787   24.113  404.958   22.480  244.152   7.2881  243.714   6.8065 0.4389648 9.972235 
1 1 1  -24   13   43 o  185.236   10.332  235.984   25.934  235.984   25.934   0.0000   0.0000  185.236   10.332  ?   ?       ?      ? 
1 1 1  -24   13   44 o  127.187   8.2763  110.715   14.265  110.715   14.265   0.0000   0.0000  127.187   8.2763  ?   ?       ?      ? 
1 1 1  -24   13   45 o  210.825   4.9398  301.556   14.051  322.979   21.108  284.513   18.827  217.465   7.1628  204.184   6.8043 13.28159 9.879538 
1 1 1  -24   13   46 o   69.475   8.3069   36.688   7.1057   24.544   11.230   44.796   9.1762   58.102   14.348   80.849   8.3755 -22.74670 16.61379 
1 1 1  -24   13   47 o  164.676   5.0397  186.282   11.151  177.190   16.652  193.674   15.015  160.908   7.6369  168.443   6.5780 -7.533966 10.07931 
1 1 1  -24   13   48 o  122.548   8.1360  103.545   13.469  113.454   20.010   95.337   18.212  127.865   11.548  117.232   11.464 10.63286 16.27210 
1 1 1  -24   13   49 o  108.610   8.7196   81.912   12.793   86.383   19.031   78.226   17.278  111.228   12.626  105.991   12.030 5.236687 17.43926 
1 1 1  -24   13   50 f  104.221   7.5474   72.589   9.3947   81.149   18.717   69.705   10.862  107.658   12.830  100.784   7.9531 6.873489 15.09470 
1 1 1  -24   13   51 f  123.874   5.4893  105.649   9.1207  102.824   13.818  107.831   12.141  122.280   8.3388  125.468   7.1409 -3.188057 10.97856 
1 1 1  -24   13   52 o   99.267   6.0903   69.295   7.9654   60.761   12.342   75.386   10.428   93.695   9.7209  104.839   7.3397 -11.14455 12.18057 
1 1 1  -24   13   53 o  125.594   5.3787  107.818   9.0549  112.074   13.980  104.743   11.885  127.606   8.0847  123.583   7.0965 4.022842 10.75741 
1 1 1  -24   13   54 o   46.997   9.5463   15.498   6.2467   18.836   10.265   13.536   7.8721   50.663   14.317   43.331   12.631 7.331417 19.09259 
1 1 1  -24   13   55 o  102.847   6.0756   75.360   8.1744   61.913   12.584   85.175   10.751   94.347   9.8429  111.348   7.1253 -17.00077 12.15121 
1 1 1  -24   13   56 o   51.950   8.8848   20.560   6.4227   12.952   10.203   25.554   8.2659   43.380   14.635   60.520   10.079 -17.14058 17.76964 
1 1 1  -24   13   57 f   94.155   7.4265   58.421   8.5331   70.940   16.694   53.993   9.9281   99.985   12.321   88.325   8.2946 11.65909 14.85292 
1 1 1  -24   13   58 o   58.864   10.018   26.619   7.3404   21.918   14.533   28.229   8.5050   54.203   17.430   63.524   9.8799 -9.321098 20.03523 
1 1 1  -24   13   59 o  111.852   5.6427   85.241   8.4620   96.676   13.193   77.250   11.029  118.034   8.2484  105.670   7.7023 12.36403 11.28543 
1 1 1  -24   13   60 o  186.509   5.0108  239.876   12.613  243.477   18.756  236.902   17.043  187.640   7.3763  185.378   6.7841 2.262390 10.02167 
1 1 1  -24   13   61 o   84.197   6.7341   50.609   7.5159   44.795   11.456   55.002   9.9590   79.515   10.631   88.879   8.2686 -9.364143 13.46823 
1 1 1  -24   13   62 o   94.179   7.0820   62.770   8.9725   63.362   12.032   62.028   13.467   94.930   9.3530   93.429   10.637 1.500786 14.16395 
1 1 1  -24   13   63 o   95.892   13.341   67.403   17.336   67.403   17.336   0.0000   0.0000   95.892   13.341  ?   ?       ?      ? 
1 1 1  -24   13   64 o   48.971   10.088   18.349   7.1146   16.966   10.010   19.762   10.114   47.229   14.362   50.712   14.170 -3.483616 20.17591 
1 1 1  -24   13   65 o   99.886   6.9535   72.186   9.2250   80.007   12.389   62.454   13.820  106.636   8.5735   93.135   10.950 13.50097 13.90704 
1 1 1  -24   13   66 o   81.687   7.4976   47.484   8.2523   42.334   11.011   54.084   12.465   76.695   10.594   86.679   10.612 -9.984161 14.99518 
1 1 1  -24   13   67 o   90.341   7.2772   55.725   8.5158   37.083   10.896   84.977   13.650   71.376   11.266  109.305   9.2151 -37.92947 14.55443 
1 1 1  -24   13   68 o   90.516   7.4356   61.528   8.7107   72.754   11.581   46.902   13.219  101.430   8.4253   79.602   12.254 21.82824 14.87122 
1 1 1  -24   13   69 o   54.084   9.7534   22.231   7.1663   17.269   9.3339   29.355   11.185   46.983   13.770   61.185   13.816 -14.20144 19.50682 
1 1 1  -24   13   70 o   76.582   12.262   43.756   12.725   0.0000   0.0000   43.756   12.725  ?   ?    76.582   12.262      ?      ? 
1 1 1  -24   13   71 o   22.492   10.794 -11.6445   9.5134   0.0000   0.0000 -11.6445   9.5134  ?   ?    22.492   10.794      ?      ? 
1 1 1  -24   13   72 o  122.849   10.319  110.185   17.178   0.0000   0.0000  110.185   17.178  ?   ?   122.849   10.319      ?      ? 
1 1 1  -24   13   73 o   96.605   11.671   69.745   15.279   0.0000   0.0000   69.745   15.279  ?   ?    96.605   11.671      ?      ? 
1 1 1  -24   13   74 o   94.457   11.814   67.071   15.122   0.0000   0.0000   67.071   15.122  ?   ?    94.457   11.814      ?      ? 
1 1 1  -24   14    1 o  165.630   4.8007  186.734   10.770  194.641   15.350  179.064   15.116  169.094   6.6987  162.166   6.8787 6.927765 9.601493 
1 1 1  -24   14    2 o  274.000   4.9819  511.299   18.497  511.825   26.028  510.762   26.292  274.150   7.0061  273.850   7.0847 0.3002930 9.963863 
1 1 1  -24   14    3 o   94.243   5.8591   59.587   7.3243   79.377   11.103   44.339   9.7457  107.919   7.5919   80.567   8.9263 27.35176 11.71821 
1 1 1  -24   14    4 o   90.500   5.7959   55.456   7.0769   60.341   10.636   51.576   9.4800   94.039   8.3461   86.962   8.0444 7.076378 11.59178 
1 1 1  -24   14    5 o   97.891   5.7014   65.669   7.3486   66.736   9.3885   63.980   11.807   99.001   6.9980   96.781   9.0029 2.220604 11.40278 
1 1 1  -24   14    6 o  272.301   5.4214  501.593   18.183  496.418   21.554  514.364   33.859  270.209   5.8863  274.394   9.1059 -4.184998 10.84280 
1 1 1  -24   14    7 o  298.277   5.6374  610.918   20.694  617.061   24.643  596.227   38.109  301.235   6.0369  295.318   9.5226 5.917511 11.27488 
1 1 1  -24   14    8 o  120.162   5.3279   98.805   8.3564   99.999   10.527   96.771   13.740  121.240   6.4074  119.083   8.5142 2.156586 10.65584 
1 1 1  -24   14    9 o  166.023   5.6326  187.341   12.614  182.149   16.944  193.796   18.893  163.491   7.6478  168.556   8.2715 -5.064362 11.26528 
1 1 1  -24   14   10 o  102.932   5.6856   72.914   7.7146   75.342   9.9227   69.202   12.267  105.200   6.9603  100.664   8.9922 4.536186 11.37130 
1 1 1  -24   14   11 o  290.842   5.5829  578.464   19.976  581.037   23.749  572.241   36.937  292.324   5.9951  289.360   9.4199 2.964172 11.16583 
1 1 1  -24   14   12 o  103.144   5.6649   72.110   7.7381   70.579   9.8929   74.524   12.420  101.806   7.1708  104.483   8.7719 -2.677193 11.32987 
1 1 1  -24   14   13 o  293.838   5.6152  586.214   20.261  582.944   23.997  594.336   37.814  292.794   6.0479  294.882   9.4628 -2.087494 11.23038 
1 1 1  -24   14   14 f   93.801   5.9066   56.602   7.2871   43.309   9.1647   79.454   12.016   79.669   8.4888  107.932   8.2155 -28.26337 11.81327 
1 1 1  -24   14   15 o  173.317   5.8812  204.224   13.813  204.224   13.813   0.0000   0.0000  173.317   5.8812  ?   ?       ?      ? 
1 1 1  -24   14   16 o  121.130   5.5112   98.961   8.7123   96.230   10.869  103.869   14.572  118.907   6.7451  123.352   8.7176 -4.444862 11.02240 
1 1 1  -24   14   17 o  301.035   5.7199  624.192   21.219  633.207   25.322  602.936   38.881  305.135   6.1238  296.935   9.6626 8.199738 11.43973 
1 1 1  -24   14   18 o  267.180   5.3843  473.703   17.766  456.445   20.974  517.526   33.422  259.088   5.9738  275.272   8.9597 -16.18344 10.76859 
1 1 1  -24   14   19 o   92.076   6.0922   54.386   7.3039   37.691   9.2311   82.335   11.944   74.271   9.1717  109.881   8.0212 -35.60966 12.18441 
1 1 1  -24   14   20 o   93.175   6.0030   56.116   7.3701   42.979   9.3134   78.124   12.055   79.344   8.6619  107.005   8.3134 -27.66129 12.00591 
1 1 1  -24   14   21 o   91.868   6.3063   58.591   7.6211   62.116   9.8517   53.338   12.027   95.465   7.6152   88.270   10.054 7.194916 12.61254 
1 1 1  -24   14   22 o  274.345   5.5932  522.718   18.987  537.388   22.809  489.615   34.263  281.104   5.9877  267.585   9.4489 13.51843 11.18640 
1 1 1  -24   14   23 o  163.506   5.2325  179.646   10.986  174.486   13.438  190.044   19.076  160.154   6.1919  166.857   8.4366 -6.703110 10.46494 
1 1 1  -24   14   24 o  121.380   5.5072  100.034   8.7462   98.826   10.988  102.123   14.448  120.482   6.7302  122.278   8.7191 -1.795731 11.01448 
1 1 1  -24   14   25 o   56.082   10.775   22.793   8.0197   20.339   14.611   23.850   9.5942   54.411   17.474   57.753   12.612 -3.341877 21.55050 
1 1 1  -24   14   26 o  103.182   6.4484   72.714   9.0086   71.066   12.432   74.537   13.072  101.964   8.9977  104.399   9.2395 -2.435684 12.89678 
1 1 1  -24   14   27 o  226.290   5.6314  347.137   16.855  339.285   21.491  359.684   27.166  223.148   7.1069  229.432   8.7376 -6.283722 11.26288 
1 1 1  -24   14   28 o  132.175   5.7793  118.953   10.281  116.670   13.702  121.893   15.552  130.780   7.7317  133.570   8.5919 -2.789856 11.55857 
1 1 1  -24   14   29 o   70.045   8.1533   34.245   7.5509   37.567   10.787   31.053   10.573   73.968   10.762   66.121   12.251 7.846367 16.30657 
1 1 1  -24   14   30 o  255.558   5.8160  449.173   19.626  460.716   25.262  431.600   31.170  259.971   7.1708  251.144   9.1587 8.827087 11.63193 
1 1 1  -24   14   31 o   91.856   8.0738   57.621   10.050   57.621   10.050   0.0000   0.0000   91.856   8.0738  ?   ?       ?      ? 
1 1 1  -24   14   32 o  114.426   5.8096   88.814   8.7488   86.816   11.063   92.148   14.294  112.827   7.2357  116.024   9.0912 -3.196175 11.61921 
1 1 1  -24   14   33 o  253.238   5.3620  413.504   16.812  381.694   19.733  497.728   32.109  236.773   6.1499  269.703   8.7852 -32.92957 10.72391 
1 1 1  -24   14   34 o   66.732   7.7151   30.442   6.9404   28.751   9.2622   32.607   10.481   64.665   10.570   68.799   11.242 -4.134369 15.43022 
1 1 1  -24   14   35 o  106.169   6.2780   80.281   8.5757   89.563   10.971   65.702   13.750  114.581   7.0656   97.756   10.379 16.82516 12.55603 
1 1 1  -24   14   36 o  158.072   5.2936  163.683   10.790  149.581   13.120  193.141   18.963  148.133   6.5360  168.012   8.3289 -19.87827 10.58729 
1 1 1  -24   14   37 o   83.149   7.1747   48.982   7.7588   53.884   10.005   41.588   12.288   88.727   8.3214   77.570   11.690 11.15748 14.34943 
1 1 1  -24   14   38 o  179.139   5.2827  211.016   12.060  196.382   14.523  243.518   21.644  169.730   6.3143  188.549   8.4710 -18.81973 10.56545 
1 1 1  -24   14   39 o  112.449   9.2742   86.847   14.132   86.847   14.132   0.0000   0.0000  112.449   9.2742  ?   ?       ?      ? 
1 1 1  -24   14   40 o  177.787   7.7843  216.314   18.754  216.314   18.754   0.0000   0.0000  177.787   7.7843  ?   ?       ?      ? 
1 1 1  -24   14   41 o  117.354   6.5600   94.502   10.421   90.175   14.344   99.340   15.165  114.522   9.2429  120.187   9.3114 -5.665619 13.11999 
1 1 1  -24   14   42 o  160.673   6.0049  177.956   12.980  184.502   17.537  170.026   19.302  164.097   7.8862  157.249   9.0578 6.847366 12.00987 
1 1 1  -24   14   43 o   73.574   8.5137   37.617   8.4783   38.992   12.362   36.397   11.650   74.816   12.193   72.333   11.885 2.483398 17.02735 
1 1 1  -24   14   44 f   84.731   7.7904   50.314   8.8484   44.695   12.982   55.190   12.093   80.090   11.961   89.373   9.9848 -9.282532 15.58074 
1 1 1  -24   14   45 o  122.037   6.2491  101.884   10.293   95.403   13.819  109.959   15.426  117.745   8.6610  126.328   9.0108 -8.583435 12.49829 
1 1 1  -24   14   46 o   51.458   10.889   19.317   8.1577   20.762   10.588   17.206   12.797   53.250   14.349   49.666   16.382 3.583443 21.77770 
1 1 1  -24   14   47 o  168.008   6.2416  193.721   13.561  191.472   16.793  197.936   22.989  167.048   7.4184  168.967   10.040 -1.919235 12.48327 
1 1 1  -24   14   48 o   95.474   6.0325   62.537   7.6766   64.595   12.075   61.141   9.9453   96.646   9.2195   94.301   7.7825 2.345100 12.06507 
1 1 1  -24   14   49 o  127.494   5.3418  112.905   9.1023  103.272   13.693  120.531   12.184  122.392   8.2558  132.595   6.7807 -10.20319 10.68350 
1 1 1  -24   14   50 o   79.787   6.9194   45.549   7.1778   38.775   11.369   50.039   9.2557   74.376   11.280   85.198   8.0168 -10.82150 13.83870 
1 1 1  -24   14   51 o  171.811   4.9904  204.031   11.514  192.855   17.194  213.119   15.505  167.334   7.5824  176.289   6.4901 -8.954895 9.980705 
1 1 1  -24   14   52 o  121.674   5.4090  101.668   8.8087  104.801   13.651   99.432   11.530  123.121   8.1820  120.228   7.0771 2.892975 10.81807 
1 1 1  -24   14   53 o   32.029   8.5425   4.5761   5.6181  -4.3000   9.2095   9.8370   7.0902   26.472   11.977   37.587   12.184 -11.11495 17.08491 
1 1 1  -24   14   54 o   97.195   5.9527   64.558   7.7518   72.163   12.114   59.285   10.088  101.869   8.7751   92.522   8.0458 9.347237 11.90532 
1 1 1  -24   14   55 o  119.375   5.5902   97.637   8.9303  105.601   13.970   92.133   11.613  123.289   8.3614  115.462   7.4221 7.826698 11.18034 
1 1 1  -24   14   56 o   45.221   10.352   15.315   7.0493   9.5148   13.802   17.361   8.1994   42.138   16.545   48.304   12.448 -6.165859 20.70490 
1 1 1  -24   14   57 f  124.428   5.5287  107.280   9.2672  109.696   13.944  105.368   12.402  125.530   8.1972  123.326   7.4211 2.204056 11.05746 
1 1 1  -24   14   58 f   39.256   10.816   8.5561   7.9905   6.8593   14.044   9.3683   9.7165   40.027   16.349   38.485   14.164 1.542103 21.63132 
1 1 1  -24   14   59 o   47.208   11.448   16.176   8.4916   16.075   14.982   16.224   10.307   47.919   17.595   46.497   14.650 1.422054 22.89561 
1 1 1  -24   14   60 o   52.691   9.6359   20.508   7.4115   10.433   10.069   32.422   10.949   39.672   14.446   65.710   12.756 -26.03833 19.27179 
1 1 1  -24   14   61 o   98.426   9.2477   68.545   12.335   68.545   12.335   0.0000   0.0000   98.426   9.2477  ?   ?       ?      ? 
1 1 1  -24   14   62 o   53.946   9.9263   21.889   7.4295   15.711   9.8404   30.080   11.330   45.417   14.315   62.474   13.755 -17.05721 19.85257 
1 1 1  -24   14   63 o   47.120   10.139   17.397   7.2347   21.039   9.6164   12.648   10.982   52.091   13.509   42.149   15.123 9.942078 20.27791 
1 1 1  -24   14   64 o   78.996   8.2578   43.736   8.1398   26.871   10.406   70.329   13.066   58.908   13.344   99.083   9.7314 -40.17509 16.51565 
1 1 1  -24   14   65 o   45.262   9.7634   14.359   7.0192   6.3295   9.3190   24.888   10.671   34.338   13.559   56.185   14.052 -21.84713 19.52674 
1 1 1  -24   14   66 o   56.403   9.6439   24.053   7.3225   17.647   9.5372   33.252   11.429   47.371   13.930   65.435   13.341 -18.06332 19.28773 
1 1 1  -24   14   67 o   97.982   10.110   81.529   11.547   42.480   17.311  112.830   15.498   70.441   18.052  125.523   9.1111 -55.08258 20.22079 
1 1 1  -24   14   68 o   87.647   11.823   57.225   14.043   0.0000   0.0000   57.225   14.043  ?   ?    87.647   11.823      ?      ? 
1 1 1  -24   14   69 o   39.421   15.220   10.312   11.527   0.0000   0.0000   10.312   11.527  ?   ?    39.421   15.220      ?      ? 
1 1 1  -24   14   70 o   38.533   15.108   9.4853   11.493   0.0000   0.0000   9.4853   11.493  ?   ?    38.533   15.108      ?      ? 
1 1 1  -24   14   71 o   84.493   12.480   54.330   14.290   0.0000   0.0000   54.330   14.290  ?   ?    84.493   12.480      ?      ? 
1 1 1  -24   14   72 o  153.378   10.297  173.306   21.403   0.0000   0.0000  173.306   21.403  ?   ?   153.378   10.297      ?      ? 
1 1 1  -24   15    1 o  108.775   5.4852   80.833   8.0853   81.568   11.461   80.104   11.408  109.270   7.7397  108.281   7.7747 0.9891434 10.97037 
1 1 1  -24   15    2 o   58.906   8.3394   24.872   6.4094   23.238   9.3610   26.314   8.7941   56.898   12.484   60.914   11.061 -4.016003 16.67882 
1 1 1  -24   15    3 f  160.859   4.8793  176.354   10.633  182.375   15.215  170.605   14.866  163.547   6.8651  158.171   6.9355 5.375443 9.758608 
1 1 1  -24   15    4 o   90.338   6.1933   55.398   7.5162   66.674   11.144   45.988   10.180   98.746   8.3281   81.931   9.1691 16.81588 12.38669 
1 1 1  -24   15    5 o  217.689   5.2728  326.424   14.198  330.935   16.987  315.969   25.861  220.536   5.6840  214.842   8.8828 5.694687 10.54568 
1 1 1  -24   15    6 o   87.273   7.3202   53.593   8.3126   70.823   11.789   36.554   11.723  101.758   8.5491   72.788   11.885 28.96983 14.64033 
1 1 1  -24   15    7 o   92.065   6.5877   58.157   8.2057   61.123   11.511   55.092   11.701   94.490   8.9894   89.639   9.6325 4.850769 13.17550 
1 1 1  -24   15    8 o  137.600   5.1635  127.821   9.1082  125.108   11.141  133.288   15.817  135.566   6.0642  139.635   8.3590 -4.068832 10.32706 
1 1 1  -24   15    9 o  130.584   5.4580  119.202   9.0674  125.182   11.219  107.939   15.398  135.603   6.1053  125.565   9.0490 10.03809 10.91595 
1 1 1  -24   15   10 o  200.826   5.1974  277.945   13.065  282.664   15.787  267.689   23.276  203.828   5.7154  197.824   8.6825 6.003952 10.39483 
1 1 1  -24   15   11 o  163.502   5.1588  183.611   10.717  186.062   13.106  178.665   18.619  165.355   5.8489  161.649   8.4995 3.706070 10.31756 
1 1 1  -24   15   12 o  147.813   5.3091  144.611   9.9321  137.131   11.922  161.579   17.957  141.919   6.1988  153.706   8.6210 -11.78639 10.61826 
1 1 1  -24   15   13 o  165.519   5.8991  186.446   13.232  186.446   13.232   0.0000   0.0000  165.519   5.8991  ?   ?       ?      ? 
1 1 1  -24   15   14 o  205.244   5.1301  273.031   13.083  253.552   15.410  323.295   24.755  193.021   5.8915  217.467   8.4000 -24.44589 10.26015 
1 1 1  -24   15   15 o  137.434   5.4135  129.796   9.4866  131.549   11.641  126.331   16.368  139.001   6.1802  135.867   8.8898 3.134323 10.82699 
1 1 1  -24   15   16 o  122.281   5.8117  107.578   8.9408  119.761   11.179   85.947   14.895  132.621   6.2201  111.940   9.8190 20.68123 11.62333 
1 1 1  -24   15   17 o   97.895   5.9119   64.622   7.6205   61.903   9.6052   69.239   12.519   95.245   7.4419  100.545   9.1880 -5.299919 11.82370 
1 1 1  -24   15   18 o   95.714   6.0312   61.902   7.6154   59.498   9.6347   65.904   12.432   93.358   7.6156   98.069   9.3545 -4.711441 12.06250 
1 1 1  -24   15   19 o  220.187   5.3038  331.074   14.629  331.338   17.614  330.488   26.267  220.636   5.8912  219.738   8.8212 0.8986053 10.60753 
1 1 1  -24   15   20 o   94.309   6.2319   61.316   7.7303   62.775   9.8822   59.015   12.409   95.888   7.6052   92.731   9.8746 3.156242 12.46381 
1 1 1  -24   15   21 o  167.641   5.1880  186.344   11.128  176.088   13.488  208.198   19.690  160.797   6.1901  174.484   8.3272 -13.68723 10.37593 
1 1 1  -24   15   22 o   67.244   7.6070   31.013   6.7175   25.910   8.9104   37.733   10.225   60.382   11.305   74.105   10.181 -13.72340 15.21395 
1 1 1  -24   15   23 o  110.932   6.3807   84.188   9.5465   73.480   13.212   95.887   13.810  103.507   9.4190  118.358   8.6102 -14.85041 12.76136 
1 1 1  -24   15   24 o  186.243   5.1785  230.887   12.226  220.752   14.720  253.433   21.954  180.041   6.0331  192.445   8.4184 -12.40471 10.35706 
1 1 1  -24   15   25 o   78.152   6.9719   41.789   7.2624   41.032   9.4166   42.899   11.409   77.374   8.9808   78.931   10.667 -1.556709 13.94385 
1 1 1  -24   15   26 o  257.810   5.5255  453.215   17.726  451.462   21.208  457.278   32.289  257.434   6.0793  258.186   9.2286 -0.7513733 11.05101 
1 1 1  -24   15   27 o  189.972   5.3370  246.329   12.850  245.822   15.617  247.391   22.611  189.953   6.0670  189.991   8.7821 -0.3775024E-01 10.67392 
1 1 1  -24   15   28 o  152.121   5.3782  156.001   10.475  151.702   12.778  164.809   18.288  149.176   6.3211  155.066   8.7030 -5.890472 10.75637 
1 1 1  -24   15   29 o   88.132   8.1240   53.172   9.7025   53.172   9.7025   0.0000   0.0000   88.132   8.1240  ?   ?       ?      ? 
1 1 1  -24   15   30 o  197.682   5.2968  265.014   13.245  261.226   16.021  273.192   23.541  195.778   6.0387  199.587   8.7039 -3.808792 10.59352 
1 1 1  -24   15   31 o  162.471   5.3299  178.453   11.089  174.300   13.545  186.897   19.313  159.873   6.2518  165.070   8.6339 -5.196777 10.65970 
1 1 1  -24   15   32 o   89.541   6.3466   53.448   7.5580   47.076   9.6242   63.699   12.208   82.838   8.5734   96.245   9.3602 -13.40736 12.69318 
1 1 1  -24   15   33 o   52.460   10.088   19.902   7.3393   20.553   10.878   19.359   9.9434   53.228   14.629   51.693   13.895 1.534698 20.17623 
1 1 1  -24   15   34 o  104.252   6.6984   75.021   9.4383   79.817   13.206   70.013   13.495  107.740   9.0448  100.764   9.8826 6.975845 13.39676 
1 1 1  -24   15   35 o  143.529   6.2827  143.596   12.036  165.895   16.659  119.249   17.408  155.566   7.9024  131.493   9.7693 24.07324 12.56533 
1 1 1  -24   15   36 o  166.026   5.9808  189.722   13.370  192.761   18.008  185.989   19.958  167.649   7.9266  164.404   8.9581 3.245499 11.96153 
1 1 1  -24   15   37 o  167.934   5.9341  192.320   13.428  180.706   17.877  207.359   20.341  162.232   8.1314  173.636   8.6448 -11.40411 11.86815 
1 1 1  -24   15   38 o  105.656   6.9160   77.386   9.8119   64.823   13.727   90.512   14.031   96.707   10.474  114.604   9.0343 -17.89683 13.83208 
1 1 1  -24   15   39 f   92.029   7.3714   58.729   9.1907   60.576   13.099   56.938   12.899   93.470   10.341   90.587   10.507 2.883858 14.74279 
1 1 1  -24   15   40 o  180.161   5.3263  216.858   12.240  206.034   14.810  240.191   21.744  173.600   6.2953  186.722   8.5935 -13.12198 10.65265 
1 1 1  -24   15   41 o   50.368   9.2776   19.365   6.7739   26.136   8.8628   9.8518   10.505   60.313   11.258   40.424   14.750 19.88863 18.55515 
1 1 1  -24   15   42 o  106.321   6.0582   75.463   8.4479   68.655   10.503   87.941   14.219   99.920   7.7565  112.723   9.3082 -12.80315 12.11633 
1 1 1  -24   15   43 o   97.047   6.5726   67.040   8.2309   72.133   10.432   58.643   13.396  102.433   7.5156   91.662   10.785 10.77053 13.14511 
1 1 1  -24   15   44 o   52.146   12.570   19.939   8.7785   19.939   8.7785   0.0000   0.0000   52.146   12.570  ?   ?       ?      ? 
1 1 1  -24   15   45 o   42.400   13.579   12.680   8.8272   12.680   8.8272   0.0000   0.0000   42.400   13.579  ?   ?       ?      ? 
1 1 1  -24   15   46 o   62.103   13.550   28.512   11.083   28.512   11.083   0.0000   0.0000   62.103   13.550  ?   ?       ?      ? 
1 1 1  -24   15   47 o   95.585   10.119   63.899   13.108   63.899   13.108   0.0000   0.0000   95.585   10.119  ?   ?       ?      ? 
1 1 1  -24   15   48 o   75.395   7.8696   37.197   7.5425   27.903   9.2611   55.507   12.998   61.974   11.449   88.815   10.800 -26.84090 15.73913 
1 1 1  -24   15   49 o   83.928   7.2400   51.415   7.7772   57.016   9.8926   42.352   12.584   90.716   8.0472   77.140   12.038 13.57593 14.48006 
1 1 1  -24   15   50 o   67.579   7.3226   32.110   6.6031   32.450   10.285   31.871   8.6123   67.662   11.217   67.496   9.4158 0.1657562 14.64518 
1 1 1  -24   15   51 o   32.135   8.6996   1.5232   5.7086   12.379   9.3638  -4.8984   7.2017   41.885   14.021   22.386   10.303 19.49894 17.39919 
1 1 1  -24   15   52 o  138.791   5.2808  134.344   9.8582  123.779   14.463  143.512   13.473  133.435   7.9985  144.147   6.8971 -10.71262 10.56153 
1 1 1  -24   15   53 o   64.087   11.186   28.847   9.4122   44.851   16.301   20.843   11.528   75.997   16.316   52.177   15.307 23.81979 22.37207 
1 1 1  -24   15   54 f  150.479   9.3144  159.452   18.994   0.0000   0.0000  159.452   18.994  ?   ?   150.479   9.3144      ?      ? 
1 1 1  -24   15   55 o   58.982   9.1356   25.250   7.4554   14.026   9.9555   39.582   11.250   43.715   14.451   74.248   11.181 -30.53305 18.27114 
1 1 1  -24   15   56 o   97.194   6.9846   68.064   9.0476   74.709   12.192   59.919   13.498  103.045   8.7312   91.343   10.904 11.70226 13.96919 
1 1 1  -24   15   57 o   50.874   9.4299   19.366   7.2097   8.4223   10.015   31.137   10.387   37.380   14.248   64.368   12.357 -26.98786 18.85989 
1 1 1  -24   15   58 o  160.342   5.9885  172.821   12.693  143.340   15.964  223.501   20.931  142.763   8.2516  177.920   8.6811 -35.15710 11.97705 
1 1 1  -24   15   59 o   96.433   9.4033   66.265   12.288   66.265   12.288   0.0000   0.0000   96.433   9.4033  ?   ?       ?      ? 
1 1 1  -24   15   60 o  100.696   7.0552   73.559   9.3951   76.564   12.217   69.210   14.698  103.942   8.6732   97.451   11.130 6.491409 14.11036 
1 1 1  -24   15   61 o   89.679   7.3429   56.959   8.8073   50.611   11.387   66.411   13.894   83.790   10.029   95.569   10.728 -11.77869 14.68585 
1 1 1  -24   15   62 o   87.227   7.5409   55.504   8.7470   55.919   11.385   54.906   13.665   88.244   9.5205   86.210   11.697 2.034142 15.08179 
1 1 1  -24   15   63 o   84.259   9.9367   58.139   10.397   39.462   15.788   72.442   13.816   68.618   17.053   99.901   10.205 -31.28260 19.87343 
1 1 1  -24   15   64 o   58.111   10.319   28.595   9.0277   13.448   13.996   39.385   11.814   43.597   16.788   72.625   12.004 -29.02725 20.63782 
1 1 1  -24   15   65 o   93.200   9.2780   68.741   10.885   51.928   16.200   82.579   14.697   79.979   15.507  106.422   10.191 -26.44330 18.55601 
1 1 1  -24   15   66 o   24.474   11.498  -7.8520   9.7195   0.0000   0.0000  -7.8520   9.7195  ?   ?    24.474   11.498      ?      ? 
1 1 1  -24   15   67 o   67.650   14.122   36.709   12.528   0.0000   0.0000   36.709   12.528  ?   ?    67.650   14.122      ?      ? 
1 1 1  -24   15   68 o   38.610   14.678   10.348   10.612   0.0000   0.0000   10.348   10.612  ?   ?    38.610   14.678      ?      ? 
1 1 1  -24   15   69 o   63.978   15.221   34.125   13.005   0.0000   0.0000   34.125   13.005  ?   ?    63.978   15.221      ?      ? 
1 1 1  -24   15   70 o   34.230   14.727   3.7200   12.343   0.0000   0.0000   3.7200   12.343  ?   ?    34.230   14.727      ?      ? 
1 1 1  -24   16    1 o   33.857   8.4979   3.3998   5.8541  -6.6022   8.1655   13.978   8.3974   23.421   10.847   44.293   13.084 -20.87164 16.99572 
1 1 1  -24   16    2 o   38.493   9.5520   9.2985   6.1690   8.5238   8.5955   10.121   8.8589   37.424   13.384   39.562   13.632 -2.138680 19.10398 
1 1 1  -24   16    3 o   58.055   9.0489   24.048   6.9061   20.649   9.2105   28.413   10.438   53.349   12.885   62.761   12.708 -9.411331 18.09774 
1 1 1  -24   16    4 o   76.331   9.5164   36.564   9.1570   66.599   15.992   21.913   11.169   97.833   12.063   54.828   14.722 43.00437 19.03284 
1 1 1  -24   16    5 o   74.987   7.1751   38.700   7.2338   37.904   9.6023   39.745   11.000   74.177   9.5526   75.798   10.709 -1.620186 14.35029 
1 1 1  -24   16    6 o  146.546   5.6478  146.144   11.015  141.825   14.197  152.676   17.458  143.988   7.2758  149.104   8.6402 -5.115845 11.29560 
1 1 1  -24   16    7 o   69.998   8.1761   34.384   7.3630   23.675   9.9574   47.304   10.937   57.144   13.134   82.851   9.7416 -25.70667 16.35218 
1 1 1  -24   16    8 o  118.347   6.0270   94.206   9.5478   84.338   12.377  108.707   15.004  110.897   8.2361  125.797   8.8016 -14.89991 12.05406 
1 1 1  -24   16    9 o   87.912   6.7599   53.577   7.9813   56.635   10.798   49.894   11.849   90.807   8.7751   85.017   10.285 5.789986 13.51975 
1 1 1  -24   16   10 o  143.623   7.3696  141.109   14.343  141.109   14.343   0.0000   0.0000  143.623   7.3696  ?   ?       ?      ? 
1 1 1  -24   16   11 o   44.244   9.3760   12.803   6.8486   22.312   9.5173   2.5910   9.8627   55.510   12.898   32.978   13.612 22.53128 18.75196 
1 1 1  -24   16   12 o  133.341   5.9257  122.455   10.557  125.102   13.908  118.857   16.216  135.194   7.5916  131.488   9.1008 3.706100 11.85148 
1 1 1  -24   16   13 o   45.879   9.6314   14.347   6.8764   22.026   9.7441   6.7278   9.7055   55.108   13.218   36.650   14.012 18.45781 19.26275 
1 1 1  -24   16   14 o  156.146   5.6706  165.390   11.834  157.453   15.351  177.012   18.576  151.693   7.4679  160.599   8.5355 -8.906067 11.34129 
1 1 1  -24   16   15 o   70.915   7.9393   34.827   7.6271   34.463   10.627   35.214   10.953   70.548   11.116   71.282   11.338 -0.7339401 15.87864 
1 1 1  -24   16   16 o  117.969   6.1509   96.422   9.7235  102.936   13.111   88.459   14.496  122.576   7.8929  113.363   9.4359 9.213219 12.30180 
1 1 1  -24   16   17 o   59.143   8.9800   25.341   7.3038   13.202   10.238   37.922   10.423   44.189   14.657   74.097   10.380 -29.90875 17.95991 
1 1 1  -24   16   18 o  149.704   5.6921  149.268   11.368  129.214   14.596  180.184   18.123  137.331   7.8430  162.076   8.2515 -24.74399 11.38420 
1 1 1  -24   16   19 o   69.556   8.6021   34.821   7.7803   41.778   10.815   27.357   11.202   77.777   10.261   61.336   13.809 16.44099 17.20415 
1 1 1  -24   16   20 o   58.858   11.088   20.369   8.7991   41.519   16.353   11.751   10.439   75.071   16.523   42.645   14.792 32.42651 22.17660 
1 1 1  -24   16   21 o   62.645   10.602   31.869   8.9970   15.345   16.324   39.078   10.783   50.132   18.372   75.158   10.587 -25.02595 21.20440 
1 1 1  -24   16   22 o   41.959   8.9687   10.242   6.7232  -2.7359   9.7179   22.155   9.3111   28.630   12.672   55.289   12.695 -26.65899 17.93744 
1 1 1  -24   16   23 o   29.855   9.0357   0.0870   6.4693  -0.1237   9.7665   0.2518   8.6355   30.590   13.129   29.121   12.418 1.469753 18.07146 
1 1 1  -24   16   24 o   86.396   6.6623   51.686   7.6046   52.530   9.7768   50.392   12.100   87.466   8.2485   85.325   10.465 2.141159 13.32466 
1 1 1  -24   16   25 o   66.619   8.3587   32.850   7.0908   39.140   9.3823   24.473   10.828   75.369   9.1862   57.868   13.967 17.50019 16.71739 
1 1 1  -24   16   26 o  147.484   6.3943  148.614   12.780  148.614   12.780   0.0000   0.0000  147.484   6.3943  ?   ?       ?      ? 
1 1 1  -24   16   27 o  162.996   6.2487  181.483   13.802  181.483   13.802   0.0000   0.0000  162.996   6.2487  ?   ?       ?      ? 
1 1 1  -24   16   28 o   61.911   8.3169   26.315   6.7520   18.775   8.8163   37.009   10.500   50.791   12.811   73.032   10.610 -22.24115 16.63389 
1 1 1  -24   16   29 o  134.759   5.4765  118.294   9.5813  104.114   11.703  147.120   16.686  123.297   7.0043  146.220   8.4208 -22.92298 10.95308 
1 1 1  -24   16   30 o  170.362   5.3572  195.443   11.625  188.533   14.089  210.186   20.580  166.078   6.2600  174.647   8.6955 -8.569550 10.71447 
1 1 1  -24   16   31 o  222.421   5.4738  341.954   15.215  345.430   18.336  334.267   27.264  224.850   6.0176  219.993   9.1454 4.856476 10.94759 
1 1 1  -24   16   32 o   85.093   6.7375   49.065   7.6324   44.836   9.7608   55.718   12.244   80.583   8.9384   89.603   10.084 -9.020531 13.47501 
1 1 1  -24   16   33 o  194.683   5.2891  244.759   12.941  221.499   15.328  302.480   24.146  179.933   6.2861  209.433   8.5078 -29.49942 10.57816 
1 1 1  -24   16   34 o   97.652   6.2367   65.318   8.0265   63.505   10.165   68.321   13.081   96.072   7.8079   99.232   9.7274 -3.160385 12.47342 
1 1 1  -24   16   35 o   50.456   9.3285   18.458   6.4036   16.835   8.4605   20.635   9.7983   47.980   12.782   52.932   13.590 -4.951748 18.65700 
1 1 1  -24   16   36 o  122.474   6.3333  103.462   10.482   98.976   14.192  108.844   15.546  119.623   8.7551  125.326   9.1537 -5.703178 12.66658 
1 1 1  -24   16   37 o   76.528   8.1326   41.104   8.4023   36.499   11.655   46.086   12.124   71.962   11.952   81.094   11.032 -9.132729 16.26530 
1 1 1  -24   16   38 o   68.330   8.2977   34.632   7.2012   39.453   9.4090   27.815   11.189   75.377   9.2114   61.282   13.804 14.09478 16.59544 
1 1 1  -24   16   39 o  167.873   5.3333  180.680   11.386  157.926   13.582  234.488   20.886  151.666   6.6084  184.080   8.3728 -32.41454 10.66656 
1 1 1  -24   16   40 o  179.385   5.3221  210.509   12.113  191.512   14.481  254.766   22.103  167.044   6.3972  191.726   8.5073 -24.68221 10.64415 
1 1 1  -24   16   41 f   76.734   7.2274   39.259   7.3215   30.153   9.3001   54.101   11.873   65.538   10.472   87.931   9.9644 -22.39326 14.45489 
1 1 1  -24   16   42 o   37.478   13.254   9.1134   8.4066   9.1134   8.4066   0.0000   0.0000   37.478   13.254  ?   ?       ?      ? 
1 1 1  -24   16   43 o  103.403   6.2678   73.123   8.3887   70.031   10.332   79.103   14.369  100.636   7.5764  106.170   9.9869 -5.534218 12.53553 
1 1 1  -24   16   44 o  154.781   5.4052  159.678   10.751  147.498   13.048  185.427   18.972  146.363   6.5784  163.199   8.5785 -16.83572 10.81046 
1 1 1  -24   16   45 o   98.732   6.4849   68.191   8.3140   68.128   10.383   68.303   13.879   99.124   7.7296   98.341   10.415 0.7825775 12.96975 
1 1 1  -24   16   46 o  111.702   6.0271   84.512   8.7711   78.339   10.830   96.276   14.952  106.306   7.5179  117.099   9.4225 -10.79220 12.05413 
1 1 1  -24   16   47 o  105.089   6.1956   74.904   8.4939   69.005   10.498   86.084   14.453   99.639   7.7752  110.540   9.6482 -10.90113 12.39121 
1 1 1  -24   16   48 o  102.492   6.7553   73.600   9.3087   70.420   12.310   77.847   14.226  100.120   9.0729  104.864   10.011 -4.743446 13.51068 
1 1 1  -24   16   49 o   47.173   11.000   16.881   8.1782   12.677   13.713   19.202   10.188   44.242   16.717   50.104   14.300 -5.862701 21.99908 
1 1 1  -24   16   50 o  102.751   6.6523   74.736   9.1714   75.361   12.191   73.921   13.921  103.562   8.6868  101.940   10.077 1.621498 13.30463 
1 1 1  -24   16   51 o   59.295   10.343   29.081   8.9218   14.528   14.347   38.258   11.393   45.907   17.150   72.683   11.567 -26.77623 20.68597 
1 1 1  -24   16   52 o   59.607   10.665   29.642   8.8563   18.983   14.372   36.168   11.245   49.781   17.351   69.433   12.407 -19.65174 21.33004 
1 1 1  -24   16   53 o   55.602   10.135   23.987   7.6675   21.692   10.333   26.800   11.438   52.729   14.161   58.476   14.505 -5.746567 20.27100 
1 1 1  -24   16   54 o   68.646   16.350   38.075   14.992   38.075   14.992   0.0000   0.0000   68.646   16.350  ?   ?       ?      ? 
1 1 1  -24   16   55 o   70.148   11.313   35.938   10.754   35.938   10.754   0.0000   0.0000   70.148   11.313  ?   ?       ?      ? 
1 1 1  -24   16   56 o   55.583   10.309   24.403   7.7357   23.823   9.9141   25.305   12.369   55.271   13.380   55.896   15.688 -0.6252403 20.61874 
1 1 1  -24   16   57 o   68.481   10.783   34.191   10.007   34.191   10.007   0.0000   0.0000   68.481   10.783  ?   ?       ?      ? 
1 1 1  -24   16   58 o   88.215   9.2162   60.446   10.403   47.580   15.209   71.757   14.261   77.224   15.074   99.206   10.608 -21.98180 18.43250 
1 1 1  -24   16   59 o   73.704   10.225   45.298   9.8748   25.827   14.486   62.197   13.496   55.281   17.360   92.127   10.810 -36.84619 20.45090 
1 1 1  -24   16   60 o   63.871   10.987   33.431   9.3159   33.525   14.565   33.366   12.119   63.059   16.758   64.683   14.214 -1.623970 21.97433 
1 1 1  -24   16   61 o   80.921   9.5766   50.530   10.176   53.100   15.587   48.621   13.434   81.554   14.642   80.289   12.347 1.265114 19.15316 
1 1 1  -24   16   62 o   85.405   9.2215   55.566   10.573   57.980   16.187   53.770   13.963   86.406   13.824   84.403   12.208 2.002541 18.44301 
1 1 1  -24   16   63 o   50.632   11.051   21.844   8.7978   13.571   13.692   27.662   11.482   43.096   16.602   58.168   14.591 -15.07267 22.10233 
1 1 1  -24   16   64 o   57.675   15.357   27.817   12.216   0.0000   0.0000   27.817   12.216  ?   ?    57.675   15.357      ?      ? 
1 1 1  -24   16   65 o   63.297   15.744   33.876   13.448   0.0000   0.0000   33.876   13.448  ?   ?    63.297   15.744      ?      ? 
1 1 1  -24   16   66 o   34.261   14.724   3.8074   12.312   0.0000   0.0000   3.8074   12.312  ?   ?    34.261   14.724      ?      ? 
1 1 1  -24   16   67 o   35.335   14.969   5.4758   12.405   0.0000   0.0000   5.4758   12.405  ?   ?    35.335   14.969      ?      ? 
1 1 1  -24   16   68 o   58.284   16.819   30.554   14.022   0.0000   0.0000   30.554   14.022  ?   ?    58.284   16.819      ?      ? 
1 1 1  -24   17    1 o   91.721   7.8703   59.837   8.9676   56.586   16.044   61.315   10.815   89.243   13.266   94.198   8.4721 -4.955452 15.74068 
1 1 1  -24   17    2 o   85.363   6.3377   50.473   7.3216   53.727   10.402   47.277   10.307   88.143   8.7085   82.584   9.2102 5.558960 12.67540 
1 1 1  -24   17    3 o   98.631   5.9220   67.143   7.8886   60.098   11.005   74.589   11.313   93.235   8.7104  104.026   8.0255 -10.79050 11.84393 
1 1 1  -24   17    4 o   42.019   9.4138   12.442   6.0122   12.386   8.5047   12.497   8.5004   41.947   13.317   42.090   13.309 -0.1431503 18.82751 
1 1 1  -24   17    5 o   57.018   7.9962   20.902   5.8795   14.790   7.1919   33.218   10.209   45.088   11.678   68.949   10.927 -23.86116 15.99248 
1 1 1  -24   17    6 o   45.729   9.1558   15.004   5.7369   14.711   7.0898   15.559   9.7636   44.981   11.566   46.477   14.196 -1.495243 18.31158 
1 1 1  -24   17    7 o   42.489   11.893   13.050   7.1182   13.050   7.1182   0.0000   0.0000   42.489   11.893  ?   ?       ?      ? 
1 1 1  -24   17    8 o  153.409   5.8335  160.848   12.127  160.848   12.127   0.0000   0.0000  153.409   5.8335  ?   ?       ?      ? 
1 1 1  -24   17    9 o   97.791   6.1160   65.244   7.5924   63.816   9.2017   68.289   13.438   96.443   7.0407   99.139   10.003 -2.696320 12.23205 
1 1 1  -24   17   10 o   97.795   6.0695   64.008   7.5757   60.326   9.1596   71.981   13.478   93.743   7.2103  101.847   9.7655 -8.104805 12.13898 
1 1 1  -24   17   11 o  100.787   6.0018   67.004   7.8085   60.669   9.4986   80.210   13.714   93.967   7.4593  107.607   9.4046 -13.63950 12.00369 
1 1 1  -24   17   12 o  258.976   5.6780  468.524   17.930  477.733   21.290  446.056   33.255  264.355   5.9429  253.597   9.6768 10.75859 11.35595 
1 1 1  -24   17   13 o  104.134   6.0107   73.445   8.0522   70.593   9.8527   79.182   13.973  101.415   7.1692  106.853   9.6497 -5.437500 12.02139 
1 1 1  -24   17   14 o   84.805   6.4864   48.248   7.2147   44.127   8.9757   55.770   12.128   80.009   8.2784   89.600   9.9881 -9.590446 12.97284 
1 1 1  -24   17   15 o  107.918   5.6970   76.757   8.0033   68.681   9.8256   92.679   13.796  100.013   7.2497  115.822   8.7899 -15.80858 11.39391 
1 1 1  -24   17   16 o  152.180   5.3849  159.756   10.349  160.693   12.567  157.781   18.241  153.286   6.0497  151.074   8.9100 2.211441 10.76977 
1 1 1  -24   17   17 o   28.525   8.7522  -0.7564   6.2625  -1.4222   9.2082  -0.1834   8.5423   28.584   12.504   28.466   12.250 0.1176853 17.50432 
1 1 1  -24   17   18 o   49.518   9.8597   17.806   6.9413   14.783   9.5670   21.166   10.087   45.449   14.081   53.586   13.805 -8.137012 19.71942 
1 1 1  -24   17   19 o   66.022   7.6157   28.319   6.3952   20.504   7.8904   43.283   10.918   53.189   11.296   78.854   10.218 -25.66546 15.23148 
1 1 1  -24   17   20 o   40.092   9.3519   11.180   6.0020   13.690   7.5870   6.9834   9.8121   43.475   12.317   36.710   14.076 6.765011 18.70387 
1 1 1  -24   17   21 o  116.754   5.5495   85.004   8.2924   68.266   9.9271  123.648   15.084   99.656   7.3508  133.852   8.3158 -34.19688 11.09895 
1 1 1  -24   17   22 o   91.189   6.2173   54.127   7.4125   45.248   9.1288   71.312   12.700   80.960   8.3207  101.419   9.2403 -20.45879 12.43455 
1 1 1  -24   17   23 o   94.511   6.3600   61.752   7.7670   61.466   9.6288   62.285   13.141   94.510   7.5182   94.513   10.260 -0.2799988E-02 12.72002 
1 1 1  -24   17   24 o   84.062   7.9672   48.734   9.0759   48.734   9.0759   0.0000   0.0000   84.062   7.9672  ?   ?       ?      ? 
1 1 1  -24   17   25 o  136.738   5.4674  125.128   9.5097  118.507   11.470  139.686   17.009  131.472   6.4379  142.003   8.8387 -10.53047 10.93482 
1 1 1  -24   17   26 o  101.394   6.0410   67.872   7.9230   60.941   9.6526   82.184   13.871   94.053   7.5734  108.735   9.4136 -14.68208 12.08192 
1 1 1  -24   17   27 o   70.606   7.3654   34.535   6.7996   33.612   8.5147   36.160   11.297   69.591   9.0289   71.621   11.639 -2.029617 14.73076 
1 1 1  -24   17   28 o   70.669   7.3036   33.999   6.8122   31.054   8.5631   39.074   11.243   66.794   9.4605   74.544   11.130 -7.750275 14.60716 
1 1 1  -24   17   29 o   75.108   7.0771   39.074   6.9466   38.130   8.6979   40.737   11.543   74.154   8.6557   76.062   11.199 -1.908638 14.15412 
1 1 1  -24   17   30 o   68.692   7.4055   31.915   6.7569   27.274   8.5799   39.493   10.964   62.425   10.143   74.959   10.793 -12.53472 14.81097 
1 1 1  -24   17   31 o  104.345   5.8758   70.295   8.0061   56.338   9.8558   97.373   13.728   90.226   8.0607  118.463   8.5512 -28.23724 11.75155 
1 1 1  -24   17   32 o  128.224   5.6574  114.115   9.3213  114.799   11.515  112.817   15.875  129.223   6.5760  127.226   9.2076 1.997604 11.31475 
1 1 1  -24   17   33 o   45.678   8.8626   13.207   6.2014   4.4386   8.0263   26.193   9.7682   31.768   12.571   59.588   12.496 -27.81958 17.72519 
1 1 1  -24   17   34 o   61.620   9.3848   28.176   7.6198   23.535   10.534   33.270   11.035   55.972   13.941   67.268   12.568 -11.29530 18.76951 
1 1 1  -24   17   35 o  129.766   5.6499  110.362   9.4639   97.214   11.480  138.258   16.721  118.669   7.1385  140.863   8.7595 -22.19422 11.29988 
1 1 1  -24   17   36 o   72.492   8.1500   39.559   7.2952   43.886   9.2133   32.286   11.944   79.377   8.5653   65.608   13.868 13.76825 16.30008 
1 1 1  -24   17   37 o   78.995   7.0379   42.156   7.3122   37.029   9.1058   51.466   12.270   72.711   9.2413   85.279   10.617 -12.56749 14.07581 
1 1 1  -24   17   38 o   76.160   7.2762   40.847   7.2052   40.463   8.9979   41.535   12.029   76.105   8.7247   76.214   11.647 -0.1094971 14.55236 
1 1 1  -24   17   39 o   86.432   7.0658   54.120   7.7634   57.262   9.6466   48.342   13.079   90.759   7.8434   82.106   11.755 8.653282 14.13155 
1 1 1  -24   17   40 o   44.783   13.887   14.894   9.3023   14.894   9.3023   0.0000   0.0000   44.783   13.887  ?   ?       ?      ? 
1 1 1  -24   17   41 o   41.415   9.9525   12.072   6.6833   10.460   9.1886   13.884   9.7385   39.254   13.860   43.576   14.287 -4.321789 19.90500 
1 1 1  -24   17   42 o   47.656   9.6152   16.359   6.9143   8.6728   9.3767   25.519   10.236   37.330   13.881   57.983   13.309 -20.65285 19.23042 
1 1 1  -24   17   43 o   53.128   9.5791   21.149   7.0353   15.267   9.4909   28.323   10.482   45.072   14.035   61.185   13.040 -16.11321 19.15810 
1 1 1  -24   17   44 o   80.058   9.6530   51.219   9.6264   31.933   14.402   66.795   12.943   63.194   16.602   96.923   9.8540 -33.72876 19.30602 
1 1 1  -24   17   45 o   93.482   7.0183   60.771   8.7800   50.825   11.458   74.916   13.665   84.400   10.018  102.564   9.8315 -18.16399 14.03656 
1 1 1  -24   17   46 o   55.764   9.7028   23.766   7.3206   19.238   9.9154   29.191   10.854   49.818   14.069   61.710   13.366 -11.89201 19.40563 
1 1 1  -24   17   47 o   46.667   10.077   16.847   7.0156   18.985   9.6284   14.428   10.243   49.467   13.827   43.867   14.664 5.599876 20.15490 
1 1 1  -24   17   48 o   45.335   10.086   15.820   6.9141   16.530   9.3640   14.969   10.252   46.259   13.852   44.410   14.664 1.848797 20.17208 
1 1 1  -24   17   49 o   72.668   10.120   40.500   9.3485   44.075   15.375   38.403   11.775   74.235   15.770   71.101   12.687 3.134178 20.23950 
1 1 1  -24   17   50 o   49.968   10.017   19.664   7.0785   19.686   9.5942   19.638   10.486   50.119   13.724   49.818   14.594 0.3008652 20.03317 
1 1 1  -24   17   51 o   38.856   9.7420   9.6928   6.5852   5.0257   8.6867   15.999   10.097   32.369   12.989   45.342   14.523 -12.97337 19.48401 
1 1 1  -24   17   52 o   71.642   9.8474   41.535   9.1641   28.632   13.640   52.150   12.372   58.781   16.467   84.502   10.804 -25.72079 19.69479 
1 1 1  -24   17   53 o   36.711   10.303   7.3768   7.8362   2.4827   12.025   10.990   10.331   33.811   14.541   39.610   14.601 -5.798828 20.60687 
1 1 1  -24   17   54 o   34.474   14.561   4.0050   11.683   4.0050   11.683   0.0000   0.0000   34.474   14.561  ?   ?       ?      ? 
1 1 1  -24   17   55 o   50.977   16.550   21.553   13.080   21.553   13.080   0.0000   0.0000   50.977   16.550  ?   ?       ?      ? 
1 1 1  -24   17   56 o   29.659   9.2229  -1.5809   7.5658 -10.4007   11.699   4.7594   9.9192   26.173   12.393   33.146   13.662 -6.973362 18.44584 
1 1 1  -24   17   57 o   36.036   10.439   6.4892   8.1801   3.5281   12.462   8.7309   10.843   34.670   14.854   37.402   14.671 -2.732033 20.87799 
1 1 1  -24   17   58 o   39.303   10.202   9.6668   8.1089  -2.5705   12.490   18.583   10.661   30.883   13.963   47.722   14.878 -16.83934 20.40364 
1 1 1  -24   17   59 o   67.569   10.766   38.125   9.6194   33.689   14.276   41.814   13.019   62.699   16.557   72.438   13.765 -9.739315 21.53177 
1 1 1  -24   17   60 o   33.932   10.283   3.5724   8.3965   4.0046   12.668   3.2337   11.214   34.894   14.964   32.970   14.107 1.923897 20.56539 
1 1 1  -24   17   61 o   61.146   11.693   33.135   10.214   24.885   15.042   40.195   13.914   52.834   17.770   69.458   15.204 -16.62400 23.38631 
1 1 1  -24   17   65 o   66.133   16.280   38.926   14.492   0.0000   0.0000   38.926   14.492  ?   ?    66.133   16.280      ?      ? 
1 1 1  -24   17   66 o   57.951   16.859   31.190   14.037   0.0000   0.0000   31.190   14.037  ?   ?    57.951   16.859      ?      ? 
1 1 1  -24   18    1 f   87.416   7.3184   53.908   8.4308   54.213   13.593   53.718   10.748   87.199   11.503   87.632   9.0506 -0.4338455 14.63674 
1 1 1  -24   18    2 o   60.523   9.5341   28.676   7.6129   20.577   12.444   33.520   9.6241   52.122   16.044   68.925   10.304 -16.80294 19.06818 
1 1 1  -24   18    3 o   54.107   10.106   22.367   7.3479   20.526   12.405   23.361   9.1201   52.093   16.017   56.121   12.329 -4.027328 20.21222 
1 1 1  -24   18    4 f  116.508   7.4839   88.374   10.478   80.446   12.051  112.935   21.211  107.573   8.2668  125.443   12.478 -17.86951 14.96789 
1 1 1  -24   18    5 o   86.634   6.6444   49.300   7.2295   44.439   8.5584   61.408   13.508   80.053   7.8892   93.215   10.693 -13.16203 13.28873 
1 1 1  -24   18    6 o   51.234   8.9014   17.262   6.0002   11.715   7.3072   28.744   10.513   40.234   12.280   62.235   12.890 -22.00081 17.80273 
1 1 1  -24   18    7 o  118.634   5.7185   95.592   8.4966   92.342   10.153  103.187   15.521  115.847   6.4674  121.422   9.4328 -5.574730 11.43697 
1 1 1  -24   18    8 o   64.688   8.2126   29.574   6.5732   28.398   7.9438   32.128   11.706   63.754   9.1947   65.621   13.611 -1.866344 16.42528 
1 1 1  -24   18    9 o  130.314   5.4792  109.632   8.9536   98.029   10.572  139.071   16.839  119.352   6.5365  141.277   8.7955 -21.92584 10.95842 
1 1 1  -24   18   10 o   48.292   9.3681   16.645   6.0228   15.146   7.3289   19.763   10.570   45.306   11.815   51.277   14.542 -5.970455 18.73617 
1 1 1  -24   18   11 o   41.820   9.3754   11.352   5.7406   8.4742   7.0084   17.219   10.007   35.520   12.129   48.121   14.300 -12.60073 18.75084 
1 1 1  -24   18   12 o  103.275   5.9701   72.850   7.8435   70.467   9.5047   77.937   13.887  101.098   6.9376  105.452   9.7179 -4.353424 11.94017 
1 1 1  -24   18   13 o   42.859   8.6041   14.045   5.9167   20.650   7.4723   2.9428   9.6876   53.239   10.728   32.480   13.455 20.75912 17.20822 
1 1 1  -24   18   14 o   50.830   9.8720   19.483   7.0555   21.881   9.6493   16.728   10.343   54.101   13.264   47.560   14.625 6.541080 19.74408 
1 1 1  -24   18   15 o  136.549   6.1319  129.997   11.167  130.879   14.596  128.752   17.341  137.444   7.8367  135.654   9.4334 1.789917 12.26389 
1 1 1  -24   18   16 o   57.262   8.9153   23.330   6.4938   20.779   8.0238   28.172   11.056   53.178   11.471   61.347   13.650 -8.169254 17.83059 
1 1 1  -24   18   17 o  125.781   5.4946  102.676   8.8411   90.170   10.614  131.018   15.978  114.371   6.8482  137.192   8.5945 -22.82091 10.98924 
1 1 1  -24   18   18 o   39.982   9.0272   11.402   5.9624   16.243   7.6699   4.0084   9.4789   46.841   12.022   33.123   13.469 13.71782 18.05444 
1 1 1  -24   18   19 o   87.568   6.6307   54.117   7.4303   55.098   9.1766   52.249   12.662   89.214   7.5904   85.922   10.874 3.291573 13.26137 
1 1 1  -24   18   20 o  115.543   5.8206   90.541   8.5319   86.592   10.288   99.240   15.269  112.074   6.7739  119.011   9.4676 -6.936844 11.64130 
1 1 1  -24   18   21 o   65.646   9.2884   30.168   8.2628   30.168   8.2628   0.0000   0.0000   65.646   9.2884  ?   ?       ?      ? 
1 1 1  -24   18   22 o   71.355   7.4086   34.345   6.8771   30.540   8.4333   41.898   11.882   66.003   9.4286   76.707   11.430 -10.70366 14.81720 
1 1 1  -24   18   23 o   89.012   7.1822   60.435   7.7731   69.568   9.6354   43.415   13.154  100.337   7.0864   77.686   12.495 22.65076 14.36442 
1 1 1  -24   18   24 o  141.229   5.5045  133.313   9.7764  125.284   11.658  152.333   17.945  134.883   6.3783  147.576   8.9731 -12.69345 11.00902 
1 1 1  -24   18   25 o   74.349   8.0865   38.067   7.7503   28.472   9.9056   53.213   12.445   62.040   12.217   86.658   10.598 -24.61789 16.17309 
1 1 1  -24   18   26 o   81.644   7.9426   49.608   8.1765   55.781   10.641   40.709   12.776   89.311   8.7923   73.977   13.230 15.33447 15.88516 
1 1 1  -24   18   27 o   90.450   7.0701   56.918   8.5335   53.109   11.002   62.669   13.519   86.943   9.3382   93.957   10.618 -7.013245 14.14018 
1 1 1  -24   18   28 o   43.056   10.224   13.330   7.0475   14.380   9.4267   12.000   10.611   44.186   14.020   41.927   14.884 2.258549 20.44755 
1 1 1  -24   18   29 o   75.884   8.2921   39.865   7.9147   24.829   10.161   63.056   12.620   57.303   13.336   94.465   9.8583 -37.16189 16.58413 
1 1 1  -24   18   30 o   95.516   6.7623   62.538   8.6251   53.232   11.123   76.571   13.659   86.904   9.4452  104.127   9.6801 -17.22319 13.52461 
1 1 1  -24   18   31 o  131.280   7.5053  123.696   13.146  117.200   20.086  128.564   17.387  127.602   11.616  134.959   9.5070 -7.357361 15.01052 
1 1 1  -24   18   32 o   40.285   10.182   11.032   7.0406   12.050   9.4824   9.7810   10.511   41.206   14.108   39.364   14.684 1.842045 20.36316 
1 1 1  -24   18   33 o  143.046   6.0222  138.262   11.351  122.442   14.188  166.396   18.921  132.433   7.9058  153.659   9.0865 -21.22643 12.04431 
1 1 1  -24   18   34 o   55.989   9.8459   23.891   7.4087   21.765   9.9090   26.587   11.157   53.268   13.661   58.710   14.182 -5.442154 19.69183 
1 1 1  -24   18   35 o  107.856   6.5988   80.123   9.5020   69.600   12.226   96.179   15.101   99.272   9.0879  116.440   9.5701 -17.16848 13.19760 
1 1 1  -24   18   36 o   68.883   8.8072   33.741   7.9059   26.332   10.113   45.387   12.679   58.789   13.036   78.978   11.846 -20.18884 17.61436 
1 1 1  -24   18   37 o   91.335   9.0212   59.013   11.166   59.013   11.166   0.0000   0.0000   91.335   9.0212  ?   ?       ?      ? 
1 1 1  -24   18   38 o   32.472   9.4158   4.0724   6.5948   4.9103   8.7207   2.9532   10.079   32.542   13.030   32.402   13.596 0.1398468 18.83168 
1 1 1  -24   18   39 o   36.273   10.002   6.6113   7.5520  -1.3261   11.769   12.168   9.8468   31.425   13.925   41.122   14.360 -9.697599 20.00315 
1 1 1  -24   18   40 o   49.742   9.3564   17.501   6.9717   7.5317   9.1652   31.191   10.740   35.551   13.611   63.933   12.842 -28.38212 18.71279 
1 1 1  -24   18   41 f   79.026   7.7112   43.963   8.1308   36.749   10.483   54.855   12.881   71.154   10.872   86.898   10.938 -15.74393 15.42236 
1 1 1  -24   18   42 o   49.817   10.106   19.045   7.1819   15.364   9.4962   23.965   10.977   44.653   14.061   54.980   14.519 -10.32735 20.21148 
1 1 1  -24   18   43 f   39.407   9.9526   10.890   6.7181   9.3359   9.1561   12.702   9.8876   37.322   13.747   41.491   14.395 -4.168736 19.90523 
1 1 1  -24   18   44 o   51.960   9.7259   20.839   7.0005   16.426   9.3685   26.418   10.534   45.869   13.883   58.050   13.625 -12.18086 19.45172 
1 1 1  -24   18   45 o   60.049   10.081   29.531   8.6426   16.927   12.858   39.917   11.672   46.635   16.403   73.464   11.725 -26.82845 20.16244 
1 1 1  -24   18   46 o   66.255   13.547   34.314   11.753   0.0000   0.0000   34.314   11.753  ?   ?    66.255   13.547      ?      ? 
1 1 1  -24   18   47 o   50.952   15.261   21.071   11.364   0.0000   0.0000   21.071   11.364  ?   ?    50.952   15.261      ?      ? 
1 1 1  -24   18   48 o   41.489   10.586   12.334   8.0952   4.6813   12.459   17.926   10.650   35.676   15.051   47.302   14.890 -11.62598 21.17140 
1 1 1  -24   18   49 o   57.715   11.114   27.915   8.9929   24.114   13.519   30.931   12.044   53.528   16.764   61.902   14.595 -8.373241 22.22756 
1 1 1  -24   18   50 o   48.636   10.530   19.127   8.6348   5.8285   13.110   29.317   11.476   36.919   15.500   60.352   14.258 -23.43237 21.06044 
1 1 1  -24   18   51 o   52.140   11.005   23.048   8.9064   13.677   13.532   30.210   11.830   43.255   16.543   61.025   14.516 -17.76970 22.00925 
1 1 1  -24   18   52 o   67.448   15.837   37.936   14.228   37.936   14.228   0.0000   0.0000   67.448   15.837  ?   ?       ?      ? 
1 1 1  -24   18   53 o   37.078   10.192   7.4054   8.0910  -2.9992   12.384   15.153   10.687   30.469   13.827   43.687   14.977 -13.21882 20.38375 
1 1 1  -24   18   54 o   26.731   8.8102  -6.9079   7.6239  -4.1467   11.990  -8.7822   9.8781   29.321   13.420   24.141   11.418 5.179455 17.62045 
1 1 1  -24   18   55 o   36.223   10.483   7.1599   8.1542   6.5722   12.326   7.6172   10.874   36.363   15.129   36.084   14.513 0.2788429 20.96521 
1 1 1  -24   18   56 o   51.000   11.282   21.617   8.6794   28.187   13.353   16.811   11.421   56.861   16.415   45.139   15.482 11.72205 22.56428 
1 1 1  -24   18   57 o   37.550   10.547   6.6026   8.2798   17.351   13.054  -0.6320   10.710   45.549   16.469   29.552   13.179 15.99674 21.09306 
1 1 1  -24   18   58 o   41.467   11.119   13.376   8.5554   12.681   13.246   13.874   11.207   41.230   16.202   41.703   15.232 -0.4724464 22.23766 
1 1 1  -24   18   59 o   29.521   9.3770  -4.3493   7.9802   6.5725   12.379 -12.1149   10.439   35.800   15.048   23.242   11.193 12.55841 18.75398 
1 1 1  -24   18   60 o   38.683   15.243   10.907   11.754   0.0000   0.0000   10.907   11.754  ?   ?    38.683   15.243      ?      ? 
1 1 1  -24   18   61 o   62.489   15.828   34.786   13.418   0.0000   0.0000   34.786   13.418  ?   ?    62.489   15.828      ?      ? 
1 1 1  -24   18   62 o   39.242   15.661   11.784   12.555   0.0000   0.0000   11.784   12.555  ?   ?    39.242   15.661      ?      ? 
1 1 1  -24   18   63 o   63.536   16.501   37.605   14.334   0.0000   0.0000   37.605   14.334  ?   ?    63.536   16.501      ?      ? 
1 1 1  -24   18   64 o   49.804   16.882   24.257   13.578   0.0000   0.0000   24.257   13.578  ?   ?    49.804   16.882      ?      ? 
1 1 1  -24   19    1 o   51.463   12.006   18.896   9.0734   15.227   10.803   27.686   16.718   45.004   15.060   57.922   18.702 -12.91800 24.01127 
1 1 1  -24   19    2 o   63.503   9.0956   30.963   7.5531   26.280   11.638   34.371   9.9278   57.866   14.787   69.140   10.596 -11.27457 18.19123 
1 1 1  -24   19    3 o  123.878   6.2462  108.774   10.212  106.311   16.276  110.373   13.114  122.117   9.8350  125.638   7.7027 -3.520393 12.49235 
1 1 1  -24   19    4 o   60.159   10.182   28.174   8.2054   30.647   11.623   25.716   11.585   63.032   13.974   57.287   14.814 5.745121 20.36470 
1 1 1  -24   19    5 o   39.067   9.3034   7.4221   6.2328   0.4325   7.7554   20.171   10.474   27.169   11.681   50.964   14.483 -23.79574 18.60677 
1 1 1  -24   19    6 o   43.916   9.9713   13.890   6.6060   11.558   8.4177   17.629   10.659   39.940   13.292   47.892   14.867 -7.951401 19.94251 
1 1 1  -24   19    7 o   69.272   8.6571   35.438   7.5925   35.216   9.4829   35.834   12.673   70.297   9.9545   68.248   14.166 2.048920 17.31413 
1 1 1  -24   19    8 o  128.304   6.2821  110.994   10.434   99.903   12.731  133.687   18.209  119.523   7.8600  137.085   9.8022 -17.56229 12.56429 
1 1 1  -24   19    9 o  104.062   6.9776   75.693   9.3780   72.607   11.536   81.709   16.105  101.690   8.3711  106.435   11.166 -4.744682 13.95518 
1 1 1  -24   19   10 o   85.692   7.5785   49.144   8.4342   40.880   10.284   66.120   14.740   75.738   10.020   95.646   11.373 -19.90810 15.15698 
1 1 1  -24   19   11 o   56.740   11.225   25.681   9.0220   22.392   13.475   28.354   12.146   53.256   16.746   60.225   14.952 -6.969284 22.44981 
1 1 1  -24   19   12 o   81.017   10.015   51.603   10.319   38.183   15.532   62.207   13.806   69.046   16.767   92.988   10.956 -23.94191 20.02905 
1 1 1  -24   19   13 o   62.316   9.4148   29.040   7.5404   27.144   9.5721   32.141   12.241   60.148   12.162   64.484   14.375 -4.336758 18.82950 
1 1 1  -24   19   14 o   96.116   6.8611   62.105   8.6886   50.119   10.874   83.271   14.450   84.052   9.5467  108.181   9.8568 -24.12832 13.72215 
1 1 1  -24   19   15 o  103.304   6.7128   74.505   9.1321   70.864   11.510   80.691   15.003  100.426   8.4576  106.182   10.427 -5.756546 13.42551 
1 1 1  -24   19   16 o  124.207   6.1525  105.945   10.098   97.219   12.727  120.770   16.589  117.856   7.9688  130.558   9.3761 -12.70264 12.30499 
1 1 1  -24   19   17 o   57.676   9.7125   25.092   7.3337   23.147   9.3412   28.218   11.840   55.183   12.748   60.170   14.657 -4.986305 19.42501 
1 1 1  -24   19   18 o   31.346   12.678   4.0604   8.3464   4.0604   8.3464   0.0000   0.0000   31.346   12.678  ?   ?       ?      ? 
1 1 1  -24   19   19 o   43.959   9.8761   14.611   6.6086   15.758   8.6110   12.967   10.308   45.517   13.194   42.402   14.699 3.115551 19.75213 
1 1 1  -24   19   20 o   41.626   9.7531   11.825   6.6096   6.8264   8.8216   18.222   9.9799   34.658   13.333   48.594   14.238 -13.93549 19.50613 
1 1 1  -24   19   21 o  127.683   6.1745  115.833   10.375  118.830   13.305  111.184   16.573  130.453   7.5262  124.912   9.7906 5.541176 12.34909 
1 1 1  -24   19   22 o   75.913   8.1206   40.310   7.8744   28.284   10.100   58.950   12.575   61.099   12.616   90.726   10.228 -29.62721 16.24127 
1 1 1  -24   19   23 o   53.102   9.9694   22.343   7.3629   25.477   9.7256   18.134   11.269   57.829   12.753   48.374   15.327 9.455853 19.93885 
1 1 1  -24   19   24 o   56.186   9.5296   23.121   7.3287   14.481   9.5375   35.578   11.452   43.818   14.123   68.553   12.798 -24.73496 19.05915 
1 1 1  -24   19   25 o  107.244   6.5869   81.039   9.3947   78.142   12.088   85.456   14.929  105.277   8.4733  109.210   10.087 -3.933067 13.17387 
1 1 1  -24   19   26 o   44.826   10.231   15.147   7.0190   14.061   9.2689   16.607   10.747   43.186   13.923   46.466   14.994 -3.279980 20.46132 
1 1 1  -24   19   27 o   83.710   7.3183   49.121   8.1562   43.747   10.417   57.636   13.112   78.187   9.8315   89.233   10.843 -11.04632 14.63657 
1 1 1  -24   19   28 o   31.826   9.7598   0.6380   7.5419   2.9774   12.380  -0.7424   9.5103   34.899   14.875   28.753   12.639 6.145691 19.51960 
1 1 1  -24   19   29 o   33.044   9.9739   2.5012   7.7212   0.8227   12.738   3.4760   9.7079   33.820   14.753   32.269   13.427 1.551079 19.94779 
1 1 1  -24   19   30 o   56.365   9.7330   25.005   7.2896   25.976   9.4172   23.552   11.514   58.401   12.288   54.330   15.097 4.071419 19.46605 
1 1 1  -24   19   31 o   59.225   9.3900   25.916   7.3453   18.565   9.4626   37.060   11.651   48.748   13.736   69.703   12.807 -20.95457 18.78008 
1 1 1  -24   19   32 o   57.132   9.3468   26.080   7.3289   32.205   9.6911   17.896   11.201   66.572   10.742   47.691   15.299 18.88114 18.69353 
1 1 1  -24   19   33 o   35.140   9.3369   3.1807   7.5791 -14.5082   11.638   16.207   9.9872   24.651   11.858   45.629   14.426 -20.97802 18.67383 
1 1 1  -24   19   34 o   88.252   12.320   57.971   14.734   57.971   14.734   0.0000   0.0000   88.252   12.320  ?   ?       ?      ? 
1 1 1  -24   19   35 o   24.255   11.571 -11.5697   10.590 -11.5697   10.590   0.0000   0.0000   24.255   11.571  ?   ?       ?      ? 
1 1 1  -24   19   36 o   43.334   9.5767   11.923   7.7995  -4.1033   11.329   26.361   10.754   28.935   13.167   57.734   13.909 -28.79810 19.15341 
1 1 1  -24   19   37 o   40.482   9.9595   10.565   7.6834  -1.0546   11.455   20.068   10.359   30.859   13.703   50.105   14.456 -19.24697 19.91902 
1 1 1  -24   19   38 o   53.361   10.170   23.428   8.3234   10.335   12.348   34.330   11.268   40.143   15.682   66.579   12.955 -26.43550 20.34070 
1 1 1  -24   19   39 o   45.737   10.718   16.535   8.1084   9.9413   12.250   21.676   10.817   39.679   15.585   51.795   14.718 -12.11667 21.43616 
1 1 1  -24   19   40 o   25.130   8.3300  -8.0612   7.1945 -12.8290   11.110  -4.6175   9.4417   24.393   11.695   25.867   11.865 -1.473967 16.65998 
1 1 1  -24   19   41 o   29.985   9.0198  -2.3299   7.4448 -17.5520   11.466   8.7641   9.7888   23.158   11.287   36.811   14.072 -13.65251 18.03966 
1 1 1  -24   19   42 o   68.676   10.440   38.501   9.5522   31.887   14.351   43.761   12.799   61.247   16.790   76.104   12.411 -14.85744 20.87913 
1 1 1  -24   19   43 o   42.649   10.606   7.1068   8.5183   28.837   14.344  -4.7324   10.587   57.932   17.097   27.367   12.557 30.56548 21.21271 
1 1 1  -24   19   44 o   31.048   13.375   1.8407   10.207   0.0000   0.0000   1.8407   10.207  ?   ?    31.048   13.375      ?      ? 
1 1 1  -24   19   45 o   31.216   9.3415   0.1137   7.5901 -11.7542   11.573   9.0723   10.055   25.342   12.092   37.091   14.242 -11.74909 18.68309 
1 1 1  -24   19   46 o   38.601   10.020   8.9725   7.8671  -2.9873   11.877   18.322   10.501   29.865   13.549   47.337   14.767 -17.47192 20.04048 
1 1 1  -24   19   47 o   55.342   11.204   25.676   8.7895   29.191   13.305   22.954   11.708   58.408   16.228   52.276   15.452 6.131977 22.40741 
1 1 1  -24   19   48 o   39.351   10.754   10.562   8.3839   5.3064   12.791   14.520   11.101   35.845   15.193   42.858   15.223 -7.013214 21.50730 
1 1 1  -24   19   49 o   26.588   12.587  -9.8641   12.058  -9.8641   12.058   0.0000   0.0000   26.588   12.587  ?   ?       ?      ? 
1 1 1  -24   19   50 o   52.638   17.285   24.684   14.253   24.684   14.253   0.0000   0.0000   52.638   17.285  ?   ?       ?      ? 
1 1 1  -24   19   51 o   33.337   10.088   2.9469   8.4504  -4.5331   12.939   8.5097   11.159   29.920   13.785   36.754   14.731 -6.834141 20.17504 
1 1 1  -24   19   52 o   30.422   9.6065  -0.7952   8.2366  -7.0039   12.914   3.4626   10.694   28.641   13.391   32.203   13.778 -3.562662 19.21309 
1 1 1  -24   19   53 o   34.864   10.343   4.4280   8.3069   12.228   12.956  -1.0167   10.825   40.505   15.990   29.223   13.125 11.28227 20.68630 
1 1 1  -24   19   54 o   25.727   8.5936  -8.3740   7.8999 -12.7266   12.111  -5.1507   10.422   25.158   12.101   26.297   12.206 -1.138754 17.18725 
1 1 1  -24   19   55 o   45.891   11.626   17.283   9.4133   27.473   14.502   9.8631   12.375   53.870   17.420   37.912   15.400 15.95798 23.25154 
1 1 1  -24   19   56 o   35.780   10.574   2.5205   9.1206   18.467   14.308  -8.3936   11.837   45.212   17.078   26.347   12.473 18.86512 21.14787 
1 1 1  -24   19   57 o   54.377   16.440   27.738   13.143   0.0000   0.0000   27.738   13.143  ?   ?    54.377   16.440      ?      ? 
1 1 1  -24   19   58 o   41.285   15.846   14.753   12.443   0.0000   0.0000   14.753   12.443  ?   ?    41.285   15.846      ?      ? 
1 1 1  -24   19   59 o   17.891   9.0173 -27.6939   10.143   0.0000   0.0000 -27.6939   10.143  ?   ?    17.891   9.0173      ?      ? 
1 1 1  -24   19   60 o   38.984   15.746   12.728   12.858   0.0000   0.0000   12.728   12.858  ?   ?    38.984   15.746      ?      ? 
1 1 1  -24   19   61 o   30.016   13.592   0.6710   11.888   0.0000   0.0000   0.6710   11.888  ?   ?    30.016   13.592      ?      ? 
1 1 1  -24   20    3 o   52.834   10.663   22.093   8.0967   16.919   10.848   28.600   12.165   46.258   15.075   59.410   15.083 -13.15236 21.32522 
1 1 1  -24   20    4 o   30.732   9.1420  -1.4772   7.1411 -11.2721   9.7864   9.6777   10.444   23.107   11.051   38.357   14.566 -15.25054 18.28399 
1 1 1  -24   20    5 o   40.992   10.611   11.459   7.7687   7.6608   10.442   16.169   11.627   36.439   14.364   45.546   15.621 -9.107197 21.22127 
1 1 1  -24   20    6 o   45.758   10.880   16.422   7.9883   17.476   10.866   15.183   11.783   46.952   15.069   44.565   15.699 2.386517 21.76101 
1 1 1  -24   20    7 o   30.430   9.3259  -1.6050   7.3629  -8.2061   9.8456   6.7713   11.091   24.636   11.574   36.225   14.627 -11.58861 18.65186 
1 1 1  -24   20    8 o   35.727   14.535   6.2240   11.044   0.0000   0.0000   6.2240   11.044  ?   ?    35.727   14.535      ?      ? 
1 1 1  -24   20    9 o   53.328   15.794   23.217   12.223   0.0000   0.0000   23.217   12.223  ?   ?    53.328   15.794      ?      ? 
1 1 1  -24   20   10 o   40.466   10.618   10.907   7.9207   6.4932   11.012   15.639   11.402   35.936   14.552   44.996   15.467 -9.060078 21.23651 
1 1 1  -24   20   11 o   65.998   10.003   34.102   9.0112   20.810   12.372   49.122   13.151   50.636   16.061   81.360   11.928 -30.72342 20.00579 
1 1 1  -24   20   12 o   35.960   10.268   6.4732   7.7819   8.6076   10.852   4.2134   11.166   37.683   14.706   34.236   14.335 3.446850 20.53689 
1 1 1  -24   20   13 o   71.061   9.7749   39.146   9.2069   45.109   13.157   33.423   12.888   77.631   12.507   64.491   15.026 13.13980 19.54973 
1 1 1  -24   20   14 o   21.938   10.672 -15.5524   10.111 -15.5524   10.111   0.0000   0.0000   21.938   10.672  ?   ?       ?      ? 
1 1 1  -24   20   15 o   49.545   15.757   19.782   11.902   19.782   11.902   0.0000   0.0000   49.545   15.757  ?   ?       ?      ? 
1 1 1  -24   20   16 o   33.647   9.8737   3.5841   7.6166  -1.4623   10.862   8.4662   10.684   29.886   13.304   37.409   14.594 -7.523689 19.74749 
1 1 1  -24   20   17 o   32.533   9.7859   2.3368   7.6718  -1.5176   11.285   5.6489   10.461   30.384   13.540   34.682   14.132 -4.297562 19.57174 
1 1 1  -24   20   18 o   46.085   10.998   16.612   8.1531   18.103   11.770   15.237   11.304   47.663   15.711   44.507   15.395 3.156326 21.99617 
1 1 1  -24   20   19 o   34.569   9.9891   4.1768   7.7664  -2.2985   11.001   10.610   10.965   29.528   13.248   39.611   14.953 -10.08329 19.97821 
1 1 1  -24   20   20 o   27.023   8.6215  -5.6478   7.1419 -15.0001   10.419   2.6407   9.8087   22.594   10.954   31.453   13.316 -8.859095 17.24291 
1 1 1  -24   20   21 o   54.874   10.925   24.344   8.5280   29.222   12.509   20.107   11.657   59.909   15.341   49.840   15.560 10.06953 21.85089 
1 1 1  -24   20   22 f   63.232   10.599   32.665   8.9602   28.475   13.360   36.091   12.080   58.563   16.258   67.902   13.602 -9.339092 21.19754 
1 1 1  -24   20   23 o   21.308   7.3336 -14.3864   6.6761 -18.9608   10.762 -11.5250   8.5117   21.730   10.663   20.887   10.071 0.8431549 14.66714 
1 1 1  -24   20   24 o   26.737   8.4005  -5.9205   6.9952 -22.5033   11.204   4.6736   8.9551   21.301   10.534   32.172   13.088 -10.87078 16.80093 
1 1 1  -24   20   25 o   69.017   13.118   37.010   11.821   0.0000   0.0000   37.010   11.821  ?   ?    69.017   13.118      ?      ? 
1 1 1  -24   20   26 o   50.306   11.031   20.490   8.2212   22.003   12.700   19.398   10.786   51.586   16.263   49.025   14.909 2.561665 22.06270 
1 1 1  -24   20   27 o   62.409   10.039   31.945   8.7000   19.980   12.769   42.311   11.885   49.391   16.368   75.427   11.628 -26.03630 20.07783 
1 1 1  -24   20   28 o   51.427   10.954   21.205   8.2512   26.257   12.607   17.419   10.913   56.229   15.858   46.625   15.116 9.604935 21.90833 
1 1 1  -24   20   29 o   82.104   8.8941   50.952   9.8597   51.548   14.587   50.450   13.379   82.185   13.097   82.023   12.036 0.1622009 17.78815 
1 1 1  -24   20   30 o   29.720   9.3203  -2.5999   7.4590   4.6461   11.744  -7.4990   9.6567   34.862   14.655   24.579   11.520 10.28303 18.64051 
1 1 1  -24   20   31 o   55.267   16.244   25.689   12.972   25.689   12.972   0.0000   0.0000   55.267   16.244  ?   ?       ?      ? 
1 1 1  -24   20   32 o   54.217   16.491   24.863   13.195   24.863   13.195   0.0000   0.0000   54.217   16.491  ?   ?       ?      ? 
1 1 1  -24   20   33 o   54.874   11.220   25.528   8.9248   21.412   13.409   28.801   11.958   50.483   16.775   59.265   14.904 -8.782181 22.43972 
1 1 1  -24   20   34 o   41.493   10.463   9.8431   8.1259   23.299   12.553   0.1375   10.661   52.613   16.101   30.372   13.366 22.24142 20.92596 
1 1 1  -24   20   35 o   40.227   10.467   8.2399   8.0160   21.982   12.858  -0.4976   10.252   51.036   16.393   29.417   13.018 21.61916 20.93314 
1 1 1  -24   20   36 o   54.774   10.628   25.908   8.6317   15.591   13.298   33.420   11.347   44.645   16.544   64.903   13.347 -20.25822 21.25677 
1 1 1  -24   20   37 o   35.120   10.118   6.1722   7.7824   0.7998   12.187   9.8720   10.113   32.415   14.277   37.826   14.341 -5.411564 20.23577 
1 1 1  -24   20   38 f   35.630   10.193   5.6877   7.5986   12.506   12.188   1.3523   9.7187   41.311   15.724   29.950   12.976 11.36046 20.38694 
1 1 1  -24   20   39 o   32.251   9.5646   2.9596   7.4847  -5.7524   11.926   8.6203   9.6136   28.367   13.128   36.134   13.914 -7.767155 19.12915 
1 1 1  -24   20   40 o   35.973   10.078   6.8940   7.9991  -4.3480   13.112   13.558   10.095   30.407   13.960   41.540   14.538 -11.13377 20.15576 
1 1 1  -24   20   41 o   75.639   12.488   44.141   12.801   0.0000   0.0000   44.141   12.801  ?   ?    75.639   12.488      ?      ? 
1 1 1  -24   20   42 o   29.437   9.0811  -1.7846   7.6129 -16.4702   12.457   6.9694   9.6178   24.546   11.918   34.327   13.705 -9.781042 18.16227 
1 1 1  -24   20   43 o   47.610   10.599   19.657   8.6063   6.8321   13.772   27.874   11.024   37.259   15.777   57.961   14.157 -20.70186 21.19755 
1 1 1  -24   20   44 o   49.528   11.227   21.566   8.5910   18.714   13.495   23.510   11.140   46.583   16.759   52.473   14.945 -5.889511 22.45481 
1 1 1  -24   20   45 f   35.151   9.3901   5.6012   7.5955 -12.3609   12.316   16.627   9.6491   25.662   12.306   44.639   14.186 -18.97752 18.78020 
1 1 1  -24   20   46 o   42.820   16.447   14.946   13.411   14.946   13.411   0.0000   0.0000   42.820   16.447  ?   ?       ?      ? 
1 1 1  -24   20   47 o   49.167   17.487   22.375   14.654   22.375   14.654   0.0000   0.0000   49.167   17.487  ?   ?       ?      ? 
1 1 1  -24   20   48 o   33.128   10.260   1.1368   8.5821   10.322   14.180  -4.1727   10.781   39.100   16.244   27.156   12.537 11.94395 20.51956 
1 1 1  -24   20   49 o   67.692   11.670   40.416   10.420   49.547   16.799   34.706   13.285   73.119   17.236   62.265   15.737 10.85428 23.33931 
1 1 1  -24   20   50 o   87.153   11.105   71.861   12.195   38.594   18.127   99.370   16.484   60.662   19.462  113.644   10.704 -52.98214 22.21096 
1 1 1  -24   20   51 o   42.215   11.195   15.208   9.6409   2.5726   15.502   23.178   12.312   34.634   15.617   49.795   16.046 -15.16055 22.39077 
1 1 1  -24   20   52 o   38.577   11.242   10.014   9.4254   18.058   14.934   4.6877   12.151   43.917   17.221   33.238   14.455 10.67947 22.48339 
1 1 1  -24   20   53 f   53.534   12.077   29.327   10.203   23.349   15.795   33.608   13.366   47.583   17.951   59.485   16.161 -11.90179 24.15379 
1 1 1  -24   20   54 o   60.323   16.544   35.489   13.930   0.0000   0.0000   35.489   13.930  ?   ?    60.323   16.544      ?      ? 
1 1 1  -24   20   55 o   38.380   15.575   12.550   12.645   0.0000   0.0000   12.550   12.645  ?   ?    38.380   15.575      ?      ? 
1 1 1  -24   20   56 o   44.011   16.473   19.721   13.249   0.0000   0.0000   19.721   13.249  ?   ?    44.011   16.473      ?      ? 
1 1 1  -24   20   57 o   42.369   16.022   18.159   12.602   0.0000   0.0000   18.159   12.602  ?   ?    42.369   16.022      ?      ? 
1 1 1  -24   21   11 o   43.208   15.649   14.516   11.793   14.516   11.793   0.0000   0.0000   43.208   15.649  ?   ?       ?      ? 
1 1 1  -24   21   12 o   50.074   15.891   21.029   12.111   21.029   12.111   0.0000   0.0000   50.074   15.891  ?   ?       ?      ? 
1 1 1  -24   21   13 o   40.046   10.183   10.279   7.9543  -0.6234   11.592   19.981   10.935   30.902   13.751   49.190   15.024 -18.28859 20.36637 
1 1 1  -24   21   14 o   49.536   11.179   20.552   8.5074   18.528   12.321   22.396   11.761   47.358   16.082   51.714   15.533 -4.356262 22.35848 
1 1 1  -24   21   15 o   53.664   11.116   24.236   8.5892   24.777   12.573   23.763   11.762   54.047   16.021   53.280   15.413 0.7669182 22.23136 
1 1 1  -24   21   16 o   42.593   10.954   13.967   8.2247   12.096   11.983   15.634   11.309   40.939   15.589   44.247   15.393 -3.307232 21.90820 
1 1 1  -24   21   17 o   44.194   10.949   14.526   8.4286   22.536   12.462   7.7724   11.443   51.589   16.085   36.798   14.858 14.79084 21.89714 
1 1 1  -24   21   18 o   35.609   10.301   5.0679   8.2734   12.451   11.850  -1.9535   11.556   41.181   15.545   30.038   13.519 11.14303 20.60166 
1 1 1  -24   21   19 o   27.514   8.9536  -5.9567   7.7464  -0.5241   11.396 -10.6236   10.562   30.697   13.648   24.330   11.593 6.367315 17.90722 
1 1 1  -24   21   20 o   39.640   10.833   10.707   8.2661   13.207   12.180   8.5727   11.255   41.978   15.778   37.301   14.846 4.677147 21.66500 
1 1 1  -24   21   21 o   88.995   11.270   59.340   13.592   0.0000   0.0000   59.340   13.592  ?   ?    88.995   11.270      ?      ? 
1 1 1  -24   21   22 o   48.250   14.972   19.279   10.812   0.0000   0.0000   19.279   10.812  ?   ?    48.250   14.972      ?      ? 
1 1 1  -24   21   23 o   38.925   10.203   10.208   7.8889  -0.0148   12.422   17.118   10.213   32.076   14.256   45.775   14.600 -13.69930 20.40556 
1 1 1  -24   21   24 o   71.478   9.9892   41.971   9.3761   32.112   13.731   50.583   12.834   61.102   16.287   81.855   11.570 -20.75347 19.97838 
1 1 1  -24   21   25 o   78.415   9.4816   48.876   9.6928   45.351   14.564   51.679   12.987   74.151   15.008   82.680   11.591 -8.529144 18.96317 
1 1 1  -24   21   26 o   31.760   9.7673   1.8842   7.8184  -0.7703   12.336   3.6661   10.108   31.459   14.078   32.061   13.543 -0.6018467 19.53454 
1 1 1  -24   21   27 o   54.843   11.129   25.975   8.6939   23.882   13.639   27.408   11.283   52.196   16.896   57.490   14.489 -5.293671 22.25717 
1 1 1  -24   21   28 o   37.082   15.598   6.7512   13.318   6.7512   13.318   0.0000   0.0000   37.082   15.598  ?   ?       ?      ? 
1 1 1  -24   21   29 o   22.864   7.8021 -12.9516   7.2832 -21.8074   12.066  -7.8753   9.1351   22.404   11.052   23.324   11.016 -0.9202194 15.60426 
1 1 1  -24   21   30 o   36.103   10.586   6.0284   8.2753   11.473   13.554   2.7926   10.449   40.600   16.248   31.605   13.573 8.995220 21.17131 
1 1 1  -24   21   31 o   40.108   11.161   11.230   8.6544   13.332   14.283   10.010   10.879   42.281   16.757   37.934   14.746 4.347252 22.32184 
1 1 1  -24   21   32 o   58.415   9.7955   31.441   9.3155   5.9823   14.930   47.671   11.920   37.453   16.155   79.376   11.082 -41.92308 19.59103 
1 1 1  -24   21   33 o   38.755   10.888   10.113   8.2289   12.017   14.002   9.1087   10.171   40.958   16.471   36.551   14.245 4.407578 21.77617 
1 1 1  -24   21   34 f   60.622   11.417   32.090   9.3669   33.940   15.196   30.956   11.896   60.744   17.504   60.500   14.663 0.2441635 22.83362 
1 1 1  -24   21   35 o   34.623   10.407   4.3402   8.2821   10.291   13.668   0.8875   10.411   39.286   16.097   29.960   13.196 9.326342 20.81446 
1 1 1  -24   21   36 o   55.656   11.527   26.149   9.2875   38.476   14.969   18.433   11.843   65.258   16.820   46.055   15.766 19.20290 23.05401 
1 1 1  -24   21   37 o   55.445   15.207   26.876   11.769   0.0000   0.0000   26.876   11.769  ?   ?    55.445   15.207      ?      ? 
1 1 1  -24   21   38 o   33.486   13.944   5.8440   10.483   0.0000   0.0000   5.8440   10.483  ?   ?    33.486   13.944      ?      ? 
1 1 1  -24   21   39 o   35.650   10.605   7.1444   8.5786   4.5536   14.429   8.5607   10.669   35.488   15.585   35.812   14.386 -0.3243217 21.20951 
1 1 1  -24   21   40 o   37.319   10.862   6.6081   8.5499   18.288   14.869   0.8384   10.450   45.025   17.312   29.613   13.122 15.41229 21.72357 
1 1 1  -24   21   41 o   51.462   11.728   22.317   9.2824   37.095   15.605   14.224   11.548   61.856   17.713   41.069   15.378 20.78723 23.45650 
1 1 1  -24   21   42 o   33.833   10.409   4.1791   8.5794   8.5756   14.307   1.7103   10.721   37.394   15.966   30.271   13.359 7.123304 20.81711 
1 1 1  -24   21   43 o   46.461   17.670   21.043   15.384   21.043   15.384   0.0000   0.0000   46.461   17.670  ?   ?       ?      ? 
1 1 1  -24   21   44 o   34.044   15.113   4.0219   13.924   4.0219   13.924   0.0000   0.0000   34.044   15.113  ?   ?       ?      ? 
1 1 1  -24   21   45 o   32.245   10.126   2.9823   8.8552  -1.4337   14.421   5.6552   11.220   31.462   14.516   33.028   14.121 -1.565294 20.25135 
1 1 1  -24   21   46 o   30.594   14.056 -30.4034   8.4083  -0.9961   13.326 -49.8573   10.838   30.594   14.056  ?   ?       ?      ? 
1 1 1  -24   21   47 o   62.471   12.774   41.142   11.458   39.414   17.021   42.573   15.494   59.842   18.822   65.099   17.277 -5.256664 25.54897 
1 1 1  -24   21   48 o   50.582   11.895   27.910   10.251   18.536   17.326   32.957   12.715   42.686   17.864   58.478   15.710 -15.79145 23.78908 
1 1 1  -24   21   49 o   28.208   9.1699  -3.6659   8.6927 -19.5307   14.461   5.3092   10.877   24.605   12.130   31.811   13.755 -7.206429 18.33970 
1 1 1  -24   21   50 o   33.555   10.443   4.3530   8.8585   14.818   14.957  -1.3010   10.994   39.460   16.561   27.651   12.728 11.80942 20.88660 
1 1 1  -24   22   18 o   39.330   14.944   12.053   10.998   0.0000   0.0000   12.053   10.998  ?   ?    39.330   14.944      ?      ? 
1 1 1  -24   22   19 o   51.524   15.149   23.338   11.280   0.0000   0.0000   23.338   11.280  ?   ?    51.524   15.149      ?      ? 
1 1 1  -24   22   20 o   36.629   10.429   9.0429   7.9573   6.4067   12.709   10.743   10.205   35.549   15.109   37.708   14.380 -2.159504 20.85837 
1 1 1  -24   22   21 o   35.357   9.9218   2.9295   7.5991   19.263   12.585  -6.4436   9.5333   46.392   16.232   24.322   11.414 22.07044 19.84356 
1 1 1  -24   22   22 o   47.472   10.917   17.047   8.3728   32.681   13.852   8.0475   10.510   59.668   16.551   35.276   14.241 24.39171 21.83426 
1 1 1  -24   22   23 o   52.462   10.605   26.002   9.0228   10.783   14.494   35.631   11.529   39.436   16.407   65.489   13.442 -26.05299 21.21003 
1 1 1  -24   22   24 o   40.508   16.643   12.325   14.661   12.325   14.661   0.0000   0.0000   40.508   16.643  ?   ?       ?      ? 
1 1 1  -24   22   25 o   41.407   16.791   13.679   14.684   13.679   14.684   0.0000   0.0000   41.407   16.791  ?   ?       ?      ? 
1 1 1  -24   22   26 o   29.038   9.3801  -1.7772   8.0316  -6.5716   13.933   0.6087   9.8289   29.355   13.783   28.721   12.727 0.6345692 18.76026 
1 1 1  -24   22   27 o   45.017   11.216   18.576   8.9055   11.706   14.434   22.799   11.316   39.722   16.437   50.311   15.265 -10.58862 22.43151 
1 1 1  -24   22   28 o   57.758   11.589   29.006   9.3720   42.617   15.595   21.311   11.726   67.252   17.079   48.264   15.670 18.98837 23.17874 
1 1 1  -24   22   29 o   49.390   11.820   22.382   9.1724   28.042   15.057   19.042   11.566   53.032   17.779   45.749   15.581 7.282993 23.64049 
1 1 1  -24   22   30 o   31.088   9.8687   1.1647   8.3455   0.2001   14.187   1.6751   10.320   32.414   14.744   29.761   13.121 2.652979 19.73738 
1 1 1  -24   22   31 o   38.262   10.129   10.769   8.5160  -7.6031   14.722   20.007   10.440   29.383   13.910   47.142   14.726 -17.75928 20.25721 
1 1 1  -24   22   32 o   39.974   11.164   13.541   8.9540   9.6930   15.360   15.522   11.020   38.154   16.422   41.795   15.129 -3.641663 22.32880 
1 1 1  -24   22   33 o   47.657   10.814   22.236   9.2589   6.5414   15.327   31.255   11.619   36.172   15.967   59.142   14.588 -22.96943 21.62751 
1 1 1  -24   22   34 o   46.385   15.703   20.387   11.747   0.0000   0.0000   20.387   11.747  ?   ?    46.385   15.703      ?      ? 
1 1 1  -24   22   35 o   35.153   14.306   8.9615   10.705   0.0000   0.0000   8.9615   10.705  ?   ?    35.153   14.306      ?      ? 
1 1 1  -24   22   36 o   32.721   10.155   4.3887   8.7890  -2.8973   15.015   8.1861   10.840   30.999   14.476   34.443   14.248 -3.443521 20.31098 
1 1 1  -24   22   37 o   74.905   10.929   56.060   11.125   31.446   16.676   75.800   14.934   52.843   18.670   96.968   11.365 -44.12468 21.85709 
1 1 1  -24   22   38 o   33.355   10.412   5.3024   8.8662   5.8396   15.221   5.0266   10.908   34.890   15.624   31.820   13.767 3.070290 20.82404 
1 1 1  -24   22   39 o   35.256   9.9987   7.4365   8.8727 -14.2143   15.344   18.312   10.875   26.935   13.112   43.578   15.098 -16.64322 19.99732 
1 1 1  -24   22   40 o   40.920   16.955   16.691   15.388   16.691   15.388   0.0000   0.0000   40.920   16.955  ?   ?       ?      ? 
1 1 1  -24   22   41 o   47.611   18.174   26.703   16.311   26.703   16.311   0.0000   0.0000   47.611   18.174  ?   ?       ?      ? 
1 1 1  -24   23   27 o   28.237   8.9654  -1.2362   8.0441 -22.7666   14.884   7.6474   9.5607   23.979   11.907   32.496   13.406 -8.517315 17.93070 
1 1 1  -23    0    1 o  420.130   8.0858  1197.90   45.997   0.0000   0.0000  1197.90   45.997  420.130   8.0858  420.130   8.0858 -0.000000 0.000000 
1 1 1  -23    0    2 o  517.050   9.2935  1814.35   65.069   0.0000   0.0000  1814.35   65.069  517.050   9.2935  517.050   9.2935 -0.000000 0.000000 
1 1 1  -23    0    3 o  622.379   10.681  2629.13   90.020   0.0000   0.0000  2629.13   90.020  622.379   10.681  622.379   10.681 -0.000000 0.000000 
1 1 1  -23    0    4 o  278.134   6.6927  525.235   25.192   0.0000   0.0000  525.235   25.192  278.134   6.6927  278.134   6.6927 -0.000000 0.000000 
1 1 1  -23    0    5 o  506.924   9.2053  1743.94   63.189   0.0000   0.0000  1743.94   63.189  506.924   9.2053  506.924   9.2053 -0.000000 0.000000 
1 1 1  -23    0    6 o  963.100   15.557  6300.58  202.920   0.0000   0.0000  6300.58  202.920  963.100   15.557  963.100   15.557 -0.000000 0.000000 
1 1 1  -23    0    7 o  333.212   10.130  754.931   45.648   0.0000   0.0000  754.931   45.648  333.212   10.130  333.212   10.130 -0.000000 0.000000 
1 1 1  -23    0    8 o  435.861   11.726  1291.24   69.147   0.0000   0.0000  1291.24   69.147  435.861   11.726  435.861   11.726 -0.000000 0.000000 
1 1 1  -23    0    9 o  179.600   8.7174  220.213   21.103   0.0000   0.0000  220.213   21.103  179.600   8.7174  179.600   8.7174 -0.000000 0.000000 
1 1 1  -23    0   10 o  306.678   6.9501  636.690   28.747  695.970   42.280  585.722   39.204  319.940   9.7723  293.417   9.8851 -0.000000 0.000000 
1 1 1  -23    0   11 o  522.669   9.3770  1856.83   66.319  1862.66   93.896  1851.03   93.683  523.490   13.255  521.848   13.267 -0.000000 0.000000 
1 1 1  -23    0   12 f  535.942   9.5516  1952.03   69.265  1983.11   98.729  1921.90   97.200  540.151   13.507  531.733   13.509 -0.000000 0.000000 
1 1 1  -23    0   13 o  300.795   6.8698  614.536   27.914  648.234   40.266  583.357   38.732  308.756   9.6450  292.834   9.7852 -0.000000 0.000000 
1 1 1  -23    0   14 o  185.036   6.2308  233.442   15.524  249.792   22.322  218.127   21.604  191.372   8.6477  178.701   8.9727 -0.000000 0.000000 
1 1 1  -23    0   15 o  425.756   8.2046  1231.47   47.245  1263.54   67.730  1201.08   65.936  431.163   11.611  420.349   11.595 -0.000000 0.000000 
1 1 1  -23    0   16 o  345.297   7.3342  810.631   34.247  801.927   48.291  819.437   48.576  343.424   10.398  347.169   10.346 -0.000000 0.000000 
1 1 1  -23    0   17 f  935.860   15.170  5961.81  192.136  5877.40  269.227  6049.42  274.286  929.109   21.409  942.611   21.498 -0.000000 0.000000 
1 1 1  -23    0   18 o  498.406   9.1214  1686.52   61.476  1624.67   85.224  1753.60   88.765  488.875   12.884  507.937   12.915 -0.000000 0.000000 
1 1 1  -23    0   19 o  276.416   9.5864  519.911   35.811  519.911   35.811   0.0000   0.0000  276.416   9.5864  276.416   9.5864 -0.000000 0.000000 
1 1 1  -23    0   20 o  602.228   14.831  2465.86  120.871  2465.86  120.871   0.0000   0.0000  602.228   14.831  602.228   14.831 -0.000000 0.000000 
1 1 1  -23    0   21 o  508.205   9.2663  1755.23   63.711  1721.27   89.251  1790.51   90.976  503.183   13.109  513.226   13.100 -0.000000 0.000000 
1 1 1  -23    0   22 o  417.148   8.1709  1182.84   46.107  1166.25   64.843  1199.81   65.572  414.180   11.573  420.116   11.537 -0.000000 0.000000 
1 1 1  -23    0   23 o  523.292   9.4644  1861.22   67.008  1828.21   93.937  1895.42   95.613  518.559   13.388  528.024   13.382 -0.000000 0.000000 
1 1 1  -23    0   24 o  662.060   11.306  2981.24  101.298  2983.41  143.420  2979.08  143.094  662.299   16.001  661.821   15.976 -0.000000 0.000000 
1 1 1  -23    0   25 o  264.809   6.7474  477.124   24.136  487.228   34.606  467.554   33.679  267.544   9.5728  262.073   9.5116 -0.000000 0.000000 
1 1 1  -23    0   26 o  249.006   6.6544  422.360   22.374  411.479   31.725  433.128   31.559  245.781   9.5578  252.231   9.2612 -0.000000 0.000000 
1 1 1  -23    0   27 o  556.000   9.9125  2102.24   74.578  2100.33  105.714  2104.13  105.227  555.743   14.057  556.258   13.979 -0.000000 0.000000 
1 1 1  -23    0   28 o  447.482   8.5640  1361.49   51.842  1366.87   73.803  1356.26   72.839  448.348   12.167  446.616   12.055 -0.000000 0.000000 
1 1 1  -23    0   29 o  468.008   8.8175  1489.21   55.826  1504.13   79.660  1474.81   78.259  470.309   12.519  465.707   12.420 -0.000000 0.000000 
1 1 1  -23    0   30 o  245.533   6.6821  410.846   22.139  390.741   31.266  431.062   31.353  239.448   9.6715  251.617   9.2232 -0.000000 0.000000 
1 1 1  -23    0   31 o  664.177   11.379  3002.04  102.275  2968.94  144.076  3035.65  145.208  660.477   16.119  667.878   16.065 -0.000000 0.000000 
1 1 1  -23    0   32 o  582.208   10.292  2305.28   81.068  2348.67  116.297  2264.26  113.067  587.533   14.627  576.883   14.484 -0.000000 0.000000 
1 1 1  -23    0   33 o  234.299   6.7194  374.234   21.237  372.424   30.621  375.913   29.480  233.720   9.7061  234.878   9.2949 -0.000000 0.000000 
1 1 1  -23    0   34 o  305.092   10.037  633.481   41.397   0.0000   0.0000  633.481   41.397  305.092   10.037  305.092   10.037 -0.000000 0.000000 
1 1 1  -23    0   35 o  518.529   13.371  1829.46   93.817   0.0000   0.0000  1829.46   93.817  518.529   13.371  518.529   13.371 -0.000000 0.000000 
1 1 1  -23    0   36 o  657.172   11.319  2940.85  100.658  2966.37  143.580  2916.19  141.155  659.966   16.076  654.378   15.939 -0.000000 0.000000 
1 1 1  -23    0   37 o  537.360   9.7519  1965.21   70.898  1981.01  101.254  1950.01   99.304  539.470   13.871  535.251   13.711 -0.000000 0.000000 
1 1 1  -23    0   38 o  762.227   12.806  3961.42  132.096  3904.23  185.762  4019.93  187.882  756.645   18.140  767.809   18.080 -0.000000 0.000000 
1 1 1  -23    0   39 o  365.004   7.7964  906.991   38.469  876.407   54.309  937.787   54.498  358.785   11.195  371.223   10.854 -0.000000 0.000000 
1 1 1  -23    0   40 f  237.303   6.8517  383.995   21.920  384.676   31.854  383.382   30.210  237.464   9.9383  237.142   9.4348 -0.000000 0.000000 
1 1 1  -23    0   41 o  336.300   10.827  770.191   49.227  770.191   49.227   0.0000   0.0000  336.300   10.827  336.300   10.827 -0.000000 0.000000 
1 1 1  -23    0   44 f  543.864   14.085  2015.84  103.647  2015.84  103.647   0.0000   0.0000  543.864   14.085  543.864   14.085 -0.000000 0.000000 
1 1 1  -23    0   45 o  429.933   8.5228  1255.15   49.484  1328.81   72.577  1191.16   67.645  441.694   12.146  418.173   11.959 -0.000000 0.000000 
1 1 1  -23    0   46 o  127.366   7.5179  112.953   12.681  107.110   18.693  117.934   17.259  124.039   11.339  130.693   9.8746 -0.000000 0.000000 
1 1 1  -23    0   47 o  304.369   7.3526  630.326   30.206  650.982   44.109  612.085   41.451  309.045   10.560  299.693   10.234 -0.000000 0.000000 
1 1 1  -23    0   48 o  428.221   8.5331  1249.79   49.420  1233.94   70.253  1265.32   69.532  425.498   12.207  430.943   11.927 -0.000000 0.000000 
1 1 1  -23    0   49 o  340.254   7.6364  787.849   35.095  813.452   51.053  764.912   48.322  345.479   10.929  335.029   10.668 -0.000000 0.000000 
1 1 1  -23    0   50 o  105.966   8.3100   78.510   11.509   85.915   17.251   72.571   15.449  110.556   11.859  101.377   11.644 -0.000000 0.000000 
1 1 1  -23    0   51 o  222.754   6.9346  338.609   20.798  344.828   30.515  333.215   28.423  224.623   10.071  220.885   9.5360 -0.000000 0.000000 
1 1 1  -23    0   52 o  414.195   11.732  1169.58   65.730   0.0000   0.0000  1169.58   65.730  414.195   11.732  414.195   11.732 -0.000000 0.000000 
1 1 1  -23    0   53 o   74.828   14.894   42.338   13.411   0.0000   0.0000   42.338   13.411   74.828   14.894   74.828   14.894 -0.000000 0.000000 
1 1 1  -23    0   54 o  167.333   7.2257  193.589   16.121  180.051   23.721  205.209   21.977  161.630   10.945  173.036   9.4364 -0.000000 0.000000 
1 1 1  -23    0   55 o  526.291   9.7542  1891.72   69.450  1886.63   98.919  1896.66   97.530  525.557   13.911  527.025   13.677 -0.000000 0.000000 
1 1 1  -23    0   56 o  433.381   8.6642  1280.96   50.763  1305.23   73.290  1258.57   70.377  437.299   12.390  429.463   12.114 -0.000000 0.000000 
1 1 1  -23    0   57 o  401.396   8.3295  1099.56   45.206  1100.24   64.745  1098.90   63.146  401.483   11.924  401.308   11.634 -0.000000 0.000000 
1 1 1  -23    0   58 o  526.262   9.8073  1893.09   69.829  1880.78   98.993  1905.28   98.514  524.529   13.949  527.994   13.790 -0.000000 0.000000 
1 1 1  -23    0   59 o  117.762   12.652   97.692   19.601   97.692   19.601   0.0000   0.0000  117.762   12.652  117.762   12.652 -0.000000 0.000000 
1 1 1  -23    0   60 o  367.796   8.0356  921.903   39.899  952.741   58.446  894.989   54.602  373.510   11.572  362.083   11.152 -0.000000 0.000000 
1 1 1  -23    0   61 o  244.262   7.1836  407.717   23.611  411.194   34.857  404.769   32.095  245.145   10.537  243.380   9.7670 -0.000000 0.000000 
1 1 1  -23    0   62 o  108.554   10.139   88.514   13.034   67.619   20.136  103.582   17.100   95.069   17.336  122.039   10.520 -0.000000 0.000000 
1 1 1  -23    0   63 o  256.602   7.3368  450.708   25.337  445.322   37.209  455.365   34.597  255.063   10.809  258.142   9.9233 -0.000000 0.000000 
1 1 1  -23    0   64 o   71.555   13.084   40.736   10.900   46.712   16.691   36.293   14.392   76.790   18.498   66.319   18.509 -0.000000 0.000000 
1 1 1  -23    0   65 o   90.690   10.751   61.369   11.734   57.010   18.094   64.533   15.415   86.517   17.412   94.862   12.615 -0.000000 0.000000 
1 1 1  -23    0   66 o  239.927   7.1650  393.377   23.138  402.403   34.167  385.733   31.445  242.402   10.445  237.452   9.8103 -0.000000 0.000000 
1 1 1  -23    0   67 o  348.950   7.9257  832.813   37.349  832.997   54.109  832.645   51.618  348.910   11.472  348.991   10.939 -0.000000 0.000000 
1 1 1  -23    0   68 o  291.936   7.5794  582.502   29.779  592.888   44.249  573.903   40.261  294.204   11.135  289.668   10.286 -0.000000 0.000000 
1 1 1  -23    0   69 o  124.668   10.715  108.301   17.794   0.0000   0.0000  108.301   17.794  124.668   10.715  124.668   10.715 -0.000000 0.000000 
1 1 1  -23    0   70 o   59.135   13.904   29.320   10.380   44.845   16.603   19.357   13.300   74.490   19.026   43.780   20.282 -0.000000 0.000000 
1 1 1  -23    0   71 o  158.380   7.6481  174.691   16.081  164.822   24.002  182.729   21.662  153.969   11.657  162.791   9.9035 -0.000000 0.000000 
1 1 1  -23    0   72 o  267.820   7.4576  492.983   26.891  481.941   39.303  502.700   36.872  264.836   10.994  270.804   10.079 -0.000000 0.000000 
1 1 1  -23    0   73 o  382.379   8.2947  1004.68   42.859  1002.37   61.735  1006.82   59.548  381.851   11.957  382.906   11.500 -0.000000 0.000000 
1 1 1  -23    0   74 o   93.389   15.502   64.839   17.993   64.839   17.993   0.0000   0.0000   93.389   15.502   93.389   15.502 -0.000000 0.000000 
1 1 1  -23    0   75 o  150.697   7.9251  159.033   15.842  151.352   23.583  165.348   21.385  146.995   12.024  154.398   10.327 -0.000000 0.000000 
1 1 1  -23    0   76 f  291.022   7.6017  583.407   29.791  582.845   43.892  583.888   40.565  290.698   11.180  291.345   10.304 -0.000000 0.000000 
1 1 1  -23    0   77 o  264.030   7.4518  481.531   26.486  470.792   38.717  490.978   36.311  261.042   10.989  267.017   10.067 -0.000000 0.000000 
1 1 1  -23    0   78 o   48.074   14.535   23.382   9.7832   20.850   14.963   25.273   12.930   44.556   21.425   51.593   19.649 -0.000000 0.000000 
1 1 1  -23    0   79 o  177.977   7.3946  221.317   17.573  208.021   25.853  232.737   23.959  172.622   11.159  183.333   9.7059 -0.000000 0.000000 
1 1 1  -23    0   80 o  123.834   8.1375  107.493   13.278  118.105   20.399   99.691   17.492  129.016   11.901  118.653   11.102 -0.000000 0.000000 
1 1 1  -23    0   81 o  212.400   7.2840  312.621   20.752  322.344   31.101  304.818   27.860  215.164   10.727  209.635   9.8567 -0.000000 0.000000 
1 1 1  -23    0   82 o  196.688   9.7987  268.923   25.969   0.0000   0.0000  268.923   25.969  196.688   9.7987  196.688   9.7987 -0.000000 0.000000 
1 1 1  -23    0   83 o  184.256   9.6976  236.517   24.061   0.0000   0.0000  236.517   24.061  184.256   9.6976  184.256   9.6976 -0.000000 0.000000 
1 1 1  -23    0   84 f  109.662   11.054   86.171   16.044   0.0000   0.0000   86.171   16.044  109.662   11.054  109.662   11.054 -0.000000 0.000000 
1 1 1  -23    0   85 o   39.212   19.172   16.697   12.049   0.0000   0.0000   16.697   12.049   39.212   19.172   39.212   19.172 -0.000000 0.000000 
1 1 1  -23    0   86 o   87.670   13.352   57.822   14.771   0.0000   0.0000   57.822   14.771   87.670   13.352   87.670   13.352 -0.000000 0.000000 
1 1 1  -23    1    1 o  623.985   7.5786  2639.69   64.041  2732.28   92.658  2555.00   88.612  634.443   10.777  613.527   10.658 20.91571 15.15723 
1 1 1  -23    1    2 o  352.383   5.2048  841.716   24.849  858.159   35.614  826.117   34.687  355.734   7.3877  349.032   7.3337 6.702332 10.40967 
1 1 1  -23    1    3 o  852.719   9.8392  4940.80  113.692  4894.67  160.006  4987.84  161.576  848.700   13.912  856.738   13.917 -8.038513 19.67832 
1 1 1  -23    1    4 o  695.394   8.2631  3282.44   77.859  3229.56  109.159  3337.21  111.086  689.695   11.679  701.094   11.692 -11.39874 16.52628 
1 1 1  -23    1    5 o  456.623   6.0596  1414.01   37.492  1432.56   53.497  1396.09   52.559  459.565   8.5902  453.680   8.5489 5.885284 12.11922 
1 1 1  -23    1    6 o  468.938   7.0690  1497.25   39.116  1502.59   45.337  1481.71   77.368  470.746   7.1070  467.130   12.222 3.615601 14.13807 
1 1 1  -23    1    7 o  426.644   6.6627  1247.88   33.702  1262.03   39.238  1208.06   65.810  431.438   6.7112  421.850   11.512 9.588684 13.32538 
1 1 1  -23    1    8 o  299.705   5.6078  622.742   19.998  638.358   23.414  580.621   38.454  306.873   5.6303  292.537   9.7000 14.33606 11.21567 
1 1 1  -23    1    9 o  190.748   4.3117  246.660   11.145  244.356   15.740  248.977   15.783  189.854   6.1178  191.642   6.0775 -1.787521 8.623420 
1 1 1  -23    1   10 o  618.809   7.5208  2598.71   63.067  2602.31   89.240  2595.11   89.140  619.237   10.635  618.380   10.637 0.8571777 15.04153 
1 1 1  -23    1   11 o  540.474   6.7784  1981.73   49.645  1965.71   69.934  1998.00   70.486  538.273   9.5874  542.675   9.5847 -4.402588 13.55676 
1 1 1  -23    1   12 o  534.164   8.2549  1941.60   56.334  1923.23   97.329  1950.85   69.082  532.087   13.498  536.240   9.5065 -4.153625 16.50983 
1 1 1  -23    1   13 o  619.694   9.2499  2624.24   73.464  2558.65  125.591  2658.35   90.577  613.523   15.106  625.865   10.680 -12.34155 18.49972 
1 1 1  -23    1   14 o  182.581   5.4331  229.502   12.577  216.147   21.765  236.197   15.411  178.505   8.9974  186.658   6.0925 -8.153366 10.86610 
1 1 1  -23    1   15 o  296.841   5.8980  595.745   22.338  603.195   38.910  592.083   27.283  298.172   9.6298  295.510   6.8129 2.662354 11.79608 
1 1 1  -23    1   16 o  427.537   7.1121  1244.39   38.909  1227.80   66.944  1252.85   47.815  425.275   11.616  429.799   8.2095 -4.523560 14.22423 
1 1 1  -23    1   17 f  471.899   7.5846  1516.51   45.811  1495.63   78.768  1527.17   56.316  469.307   12.385  474.491   8.7583 -5.184082 15.16922 
1 1 1  -23    1   18 o  470.138   6.1783  1499.23   39.361  1506.94   55.937  1491.67   55.396  471.335   8.7577  468.943   8.7171 2.391968 12.35660 
1 1 1  -23    1   19 o  684.251   8.1753  3178.10   75.799  3133.28  106.376  3224.34  108.036  679.351   11.555  689.151   11.568 -9.800110 16.35062 
1 1 1  -23    1   20 o  853.839   9.8687  4953.14  114.174  5024.70  163.023  4884.24  159.953  859.885   13.990  847.793   13.923 12.09186 19.73742 
1 1 1  -23    1   21 o  350.503   6.4188  821.922   28.577  801.237   34.598  866.330   50.694  343.733   7.4275  357.273   10.471 -13.54089 12.83762 
1 1 1  -23    1   22 f  616.510   9.2276  2558.31   72.205  2515.21   87.528  2650.11  127.745  608.736   10.611  624.284   15.100 -15.54834 18.45525 
1 1 1  -23    1   23 o  351.533   5.2625  837.893   25.067  822.980   35.188  853.258   35.717  348.358   7.4539  354.709   7.4306 -6.351349 10.52495 
1 1 1  -23    1   24 o  305.039   4.9541  630.951   20.478  636.549   29.060  625.428   28.862  306.383   6.9992  303.695   7.0131 2.688751 9.908227 
1 1 1  -23    1   25 o  391.438   5.5681  1039.28   29.536  1039.13   41.807  1039.42   41.734  391.410   7.8819  391.465   7.8671 -0.5477905E-01 11.13624 
1 1 1  -23    1   26 o  362.827   5.3583  892.854   26.346  896.084   37.348  889.655   37.169  363.480   7.5824  362.174   7.5732 1.305725 10.71666 
1 1 1  -23    1   27 o  472.714   6.2436  1515.99   39.993  1536.45   56.964  1496.09   56.162  475.860   8.8336  469.569   8.8260 6.291168 12.48720 
1 1 1  -23    1   28 o  643.351   7.8108  2810.82   68.097  2815.62   96.429  2806.04   96.178  643.899   11.051  642.804   11.041 1.094971 15.62168 
1 1 1  -23    1   29 o  673.011   8.1023  3076.55   73.891  3048.65  103.951  3105.05  105.054  669.928   11.450  676.095   11.466 -6.166626 16.20451 
1 1 1  -23    1   30 o  601.011   7.4280  2452.11   60.488  2406.24   84.635  2500.01   86.481  595.269   10.492  606.753   10.518 -11.48492 14.85606 
1 1 1  -23    1   31 f  345.038   5.2886  807.115   24.720  831.786   35.453  783.770   34.487  350.167   7.4713  339.909   7.4870 10.25784 10.57714 
1 1 1  -23    1   32 o  403.908   6.9755  1113.08   36.206  1124.79   44.735  1090.84   61.643  407.142   8.1080  400.674   11.353 6.467865 13.95105 
1 1 1  -23    1   33 f  527.047   8.2373  1877.69   55.465  1857.40   67.758  1918.90   96.561  523.023   9.5599  531.072   13.417 -8.048218 16.47468 
1 1 1  -23    1   34 o  485.843   6.4110  1602.50   42.208  1604.34   59.875  1600.68   59.510  486.118   9.0891  485.568   9.0440 0.5501404 12.82206 
1 1 1  -23    1   35 o  423.440   7.2358  1225.84   39.276  1193.97   67.098  1242.45   48.442  419.041   11.816  427.840   8.3553 -8.799042 14.47167 
1 1 1  -23    1   36 o  267.465   5.9491  483.964   20.346  490.633   35.295  480.645   24.899  268.758   9.6911  266.171   6.9030 2.586548 11.89828 
1 1 1  -23    1   37 f  309.618   6.1725  653.364   24.649  658.998   30.565  642.884   41.688  311.637   7.2375  307.600   10.001 4.037323 12.34509 
1 1 1  -23    1   38 o  411.343   8.1772  1151.08   45.576  1139.42   64.733  1162.54   64.180  409.262   11.672  413.423   11.456 -4.161224 16.35443 
1 1 1  -23    1   39 o  223.307   5.8782  336.871   16.636  343.454   29.404  333.771   20.176  224.821   9.6515  221.793   6.7127 3.028122 11.75637 
1 1 1  -23    1   40 o  488.746   7.9326  1613.39   49.248  1658.68   86.824  1591.91   59.798  493.430   12.985  484.062   9.1159 9.368164 15.86515 
1 1 1  -23    1   41 o  525.367   6.8035  1875.52   48.430  1904.65   69.240  1847.61   67.763  529.355   9.6522  521.378   9.5909 7.976196 13.60703 
1 1 1  -23    1   42 o  392.910   7.0220  1038.23   34.946  1018.09   42.259  1081.81   62.151  387.182   8.0542  398.638   11.505 -11.45572 14.04399 
1 1 1  -23    1   43 o  259.313   4.9116  456.417   17.259  450.211   24.325  462.709   24.491  257.536   6.9700  261.090   6.9221 -3.553467 9.823247 
1 1 1  -23    1   44 o  326.003   5.2554  721.616   23.215  708.105   32.708  735.333   32.956  322.924   7.4743  329.082   7.3900 -6.158081 10.51080 
1 1 1  -23    1   45 o  387.966   5.6867  1022.48   29.896  1029.41   42.523  1015.70   42.040  389.264   8.0612  386.667   8.0231 2.596985 11.37337 
1 1 1  -23    1   46 o  291.084   5.0805  575.296   20.039  565.243   28.184  585.573   28.497  288.511   7.2087  293.658   7.1611 -5.146942 10.16109 
1 1 1  -23    1   47 o  287.876   6.1062  558.546   22.532  578.201   39.084  548.762   27.575  291.488   9.8945  284.264   7.1583 7.223846 12.21237 
1 1 1  -23    1   48 o  227.997   6.8565  353.733   21.157  353.337   29.187  354.172   30.714  227.887   9.4512  228.107   9.9360 -0.2196655 13.71310 
1 1 1  -23    1   49 o  285.003   6.3098  554.360   22.900  558.020   28.009  546.980   39.771  286.617   7.2113  283.389   10.356 3.227692 12.61962 
1 1 1  -23    1   50 o  341.010   5.4058  790.259   24.981  788.461   35.322  792.059   35.335  340.621   7.6523  341.399   7.6376 -0.7782593 10.81160 
1 1 1  -23    1   51 o  294.980   5.1353  591.217   20.528  591.555   29.076  590.881   28.985  295.063   7.2718  294.897   7.2530 0.1660461 10.27064 
1 1 1  -23    1   52 o  287.876   6.2075  573.774   23.100  599.310   29.010  529.530   38.186  296.981   7.2083  278.772   10.108 18.20880 12.41508 
1 1 1  -23    1   53 o  233.923   5.9315  372.086   17.928  372.854   30.338  371.673   22.224  233.966   9.5687  233.879   7.0122 0.8714294E-01 11.86302 
1 1 1  -23    1   54 o  260.929   5.0566  462.781   17.876  459.955   25.496  465.513   25.071  260.137   7.2324  261.722   7.0689 -1.585358 10.11318 
1 1 1  -23    1   55 o  353.742   5.5182  849.472   26.427  896.452   38.329  806.901   36.487  363.049   7.7908  344.435   7.8171 18.61465 11.03649 
1 1 1  -23    1   56 o  259.446   5.0188  457.547   17.644  460.401   25.117  454.765   24.791  260.242   7.1222  258.650   7.0730 1.592010 10.03758 
1 1 1  -23    1   57 o  276.168   5.0929  517.934   19.047  544.280   27.462  493.512   26.440  282.933   7.1625  269.404   7.2423 13.52866 10.18583 
1 1 1  -23    1   58 o  293.980   6.4129  577.839   23.777  619.295   42.895  559.453   28.567  301.157   10.511  286.802   7.3502 14.35498 12.82576 
1 1 1  -23    1   59 o  223.865   7.3044  342.071   22.152  354.674   31.656  329.977   31.009  227.918   10.249  219.813   10.410 8.105148 14.60872 
1 1 1  -23    1   60 o  369.108   5.6516  927.481   28.267  940.968   40.218  914.314   39.738  371.762   7.9832  366.455   8.0020 5.307251 11.30326 
1 1 1  -23    1   61 o  227.891   5.0046  353.241   15.455  358.125   21.975  348.461   21.740  229.451   7.0673  226.332   7.0880 3.119385 10.00929 
1 1 1  -23    1   62 o  315.117   5.3827  676.000   22.985  670.868   32.504  681.132   32.507  313.915   7.6410  316.319   7.5834 -2.403564 10.76532 
1 1 1  -23    1   63 o  183.538   5.1017  229.062   12.677  243.271   18.189  215.640   17.678  189.081   7.0988  177.994   7.3292 11.08664 10.20342 
1 1 1  -23    1   64 o  323.645   5.4175  713.162   23.756  695.630   33.293  731.349   33.908  319.588   7.6874  327.702   7.6356 -8.113525 10.83507 
1 1 1  -23    1   65 o  221.511   5.0301  333.942   15.097  342.286   21.495  325.821   21.208  224.247   7.0734  218.775   7.1535 5.471298 10.06011 
1 1 1  -23    1   66 o  116.236   5.8144   91.909   9.0913  108.114   13.236   77.435   12.509  125.953   7.7546  106.519   8.6658 19.43465 11.62885 
1 1 1  -23    1   67 o  118.646   5.7234   96.013   9.1983   99.760   13.079   92.345   12.939  120.947   7.9797  116.344   8.2069 4.603500 11.44675 
1 1 1  -23    1   68 o  128.122   6.6947  115.007   11.092  122.488   14.030  102.538   18.113  134.019   7.7254  122.225   10.936 11.79385 13.38947 
1 1 1  -23    1   69 o  181.989   6.9106  226.936   17.041  229.931   24.052  223.917   24.148  183.212   9.6875  180.765   9.8577 2.446548 13.82112 
1 1 1  -23    1   70 o  174.651   5.2004  208.008   12.285  191.218   17.158  225.671   17.599  167.388   7.5640  181.914   7.1389 -14.52661 10.40086 
1 1 1  -23    1   71 o  172.661   5.1759  203.387   12.104  194.122   16.930  213.074   17.311  168.626   7.4090  176.697   7.2296 -8.071136 10.35181 
1 1 1  -23    1   72 f  234.957   5.1133  376.995   16.280  374.519   22.981  379.490   23.067  234.180   7.2415  235.734   7.2209 -1.554062 10.22650 
1 1 1  -23    1   73 o  233.869   5.1322  373.324   16.250  396.544   23.420  351.769   22.565  240.895   7.1743  226.843   7.3407 14.05226 10.26432 
1 1 1  -23    1   74 o  200.427   7.6576  277.881   20.793  269.185   29.125  286.920   29.694  197.204   10.899  203.651   10.760 -6.447296 15.31513 
1 1 1  -23    1   75 o  270.611   5.2847  501.241   19.370  482.647   26.934  521.160   27.877  265.412   7.4886  275.810   7.4587 -10.39807 10.56930 
1 1 1  -23    1   76 o  132.589   5.5739  120.731   10.010  125.905   14.246  115.685   14.068  135.422   7.7630  129.757   8.0006 5.665207 11.14782 
1 1 1  -23    1   77 o   54.889   9.4027   22.131   6.9587   25.615   9.8378   18.642   9.8444   59.311   12.627   50.467   13.936 8.843636 18.80548 
1 1 1  -23    1   78 o  188.405   5.1049  243.850   13.029  252.440   18.516  235.426   18.337  191.724   7.1267  185.085   7.3110 6.638794 10.20987 
1 1 1  -23    1   79 o  155.036   5.2459  165.505   11.021  164.032   15.574  166.982   15.598  154.336   7.4466  155.736   7.3909 -1.400101 10.49180 
1 1 1  -23    1   80 o  108.771   5.8016   81.832   8.5441   86.787   12.284   77.189   11.891  111.988   8.0947  105.554   8.3134 6.434265 11.60329 
1 1 1  -23    1   81 o  127.188   5.4806  111.824   9.4300  121.274   13.578  103.020   13.106  132.435   7.5659  121.940   7.9314 10.49455 10.96126 
1 1 1  -23    1   82 o   90.955   8.4990   59.138   10.460   63.718   15.109   54.922   14.496   94.416   11.809   87.494   12.226 6.921997 16.99804 
1 1 1  -23    1   83 o  129.224   7.3116  118.559   12.780  111.976   18.224  124.930   17.927  125.476   10.718  132.971   9.9485 -7.495255 14.62322 
1 1 1  -23    1   84 f  139.491   7.1264  138.229   13.466  135.463   19.161  140.929   18.929  138.004   10.246  140.977   9.9080 -2.973465 14.25290 
1 1 1  -23    1   85 o   89.928   8.3802   58.837   10.200   56.328   14.524   61.279   14.329   87.853   12.199   92.004   11.493 -4.150772 16.76048 
1 1 1  -23    1   86 o  125.426   7.3761  113.151   12.531  109.942   17.783  116.316   17.661  123.525   10.624  127.327   10.236 -3.802727 14.75226 
1 1 1  -23    2    1 o  583.855   7.1812  2313.68   56.816  2304.39   80.506  2322.90   80.196  582.683   10.196  585.027   10.116 -2.343933 14.36232 
1 1 1  -23    2    2 o  731.695   8.6197  3635.36   85.455  3681.40  122.156  3591.22  119.590  736.224   12.244  727.166   12.136 9.058289 17.23940 
1 1 1  -23    2    3 o  560.566   6.9756  2132.46   52.989  2121.34   75.048  2143.51   74.827  559.105   9.9052  562.027   9.8246 -2.921814 13.95120 
1 1 1  -23    2    4 o  439.311   6.7333  1297.71   34.783  1285.97   40.118  1333.26   69.807  435.495   6.7979  443.127   11.625 -7.631622 13.46663 
1 1 1  -23    2    5 o  342.771   5.9126  811.200   24.147  827.560   28.254  766.873   46.506  349.386   5.9675  336.155   10.209 13.23056 11.82524 
1 1 1  -23    2    6 o  167.317   5.4432  196.039   11.815  215.866   15.174  165.505   18.830  178.438   6.2750  156.196   8.8959 22.24147 10.88639 
1 1 1  -23    2    7 o  338.995   5.8606  788.756   23.667  799.275   27.639  759.846   45.820  343.366   5.9400  334.623   10.105 8.742859 11.72118 
1 1 1  -23    2    8 o  620.256   9.2439  2637.71   73.933  2695.36   91.978  2532.46  124.283  630.172   10.771  610.339   15.026 19.83331 18.48784 
1 1 1  -23    2    9 o  640.649   9.4974  2816.69   78.519  2884.78   97.833  2693.43  131.624  651.912   11.074  629.386   15.432 22.52570 18.99475 
1 1 1  -23    2   10 o  1006.37   14.004  6868.18  179.555  6804.15  218.863  6999.99  314.021  1000.19   16.148  1012.54   22.886 -12.35254 28.00881 
1 1 1  -23    2   11 o  901.685   12.670  5529.43  145.845  5550.47  253.130  5518.98  178.441  902.263   20.703  901.108   14.613 1.155518 25.34046 
1 1 1  -23    2   12 o  897.117   12.611  5470.15  144.361  5503.49  250.939  5453.65  176.490  898.462   20.610  895.773   14.539 2.689209 25.22255 
1 1 1  -23    2   13 o  1009.71   11.457  6934.04  156.755  6878.74  220.671  6990.37  222.715  1005.65   16.193  1013.77   16.212 -8.122742 22.91322 
1 1 1  -23    2   14 f  649.725   7.8296  2865.46   68.937  2862.85   97.601  2868.07   97.383  649.427   11.090  650.023   11.055 -0.5957031 15.65930 
1 1 1  -23    2   15 o  639.666   9.4980  2777.19   77.425  2787.56  134.873  2772.09   94.557  640.266   15.545  639.065   10.919 1.201294 18.99609 
1 1 1  -23    2   16 o  343.608   6.3680  804.479   27.849  790.607   48.382  811.352   34.056  341.311   10.461  345.906   7.2653 -4.595001 12.73606 
1 1 1  -23    2   17 o  157.286   4.4715  167.929   9.5190  161.018   13.600  174.566   13.327  154.107   6.5125  160.465   6.1289 -6.357712 8.942942 
1 1 1  -23    2   18 o  346.746   5.1888  814.461   24.368  845.155   35.142  786.033   33.820  353.031   7.3457  340.460   7.3303 12.57120 10.37751 
1 1 1  -23    2   19 o  448.399   5.9944  1363.57   36.421  1382.30   51.989  1345.51   51.037  451.421   8.4986  445.377   8.4562 6.044525 11.98888 
1 1 1  -23    2   20 o  552.538   6.9207  2071.61   51.818  2084.31   73.647  2059.17   72.922  554.212   9.8061  550.863   9.7685 3.349365 13.84138 
1 1 1  -23    2   21 o  735.588   8.6809  3674.91   86.531  3645.61  121.869  3704.70  122.882  732.631   12.275  738.544   12.278 -5.913391 17.36174 
1 1 1  -23    2   22 o  587.710   7.2614  2343.83   57.825  2379.57   82.580  2309.45   80.996  592.103   10.292  583.317   10.247 8.785950 14.52287 
1 1 1  -23    2   23 o  455.551   7.4911  1415.49   43.641  1429.36   53.640  1388.32   75.059  459.012   8.6234  452.089   12.252 6.923126 14.98220 
1 1 1  -23    2   24 f  494.808   7.9095  1664.89   49.955  1669.66   61.177  1655.33   86.541  496.054   9.1007  493.562   12.939 2.491882 15.81891 
1 1 1  -23    2   25 o  478.735   6.2882  1555.02   40.794  1563.76   57.906  1546.41   57.480  480.071   8.9009  477.400   8.8849 2.670593 12.57650 
1 1 1  -23    2   26 o  443.581   5.9980  1334.29   36.046  1368.29   51.666  1302.04   50.313  449.084   8.4898  438.078   8.4752 11.00635 11.99601 
1 1 1  -23    2   27 o  439.822   5.9724  1312.48   35.596  1309.92   50.389  1315.03   50.292  439.393   8.4626  440.250   8.4298 -0.8577576 11.94475 
1 1 1  -23    2   28 o  294.483   4.9338  588.114   19.688  591.280   28.016  585.024   27.674  295.265   7.0018  293.701   6.9531 1.564178 9.867700 
1 1 1  -23    2   29 o  219.587   4.6380  326.972   13.801  330.065   19.626  323.947   19.410  220.614   6.5648  218.560   6.5535 2.053986 9.276058 
1 1 1  -23    2   30 o  374.756   6.6750  962.264   32.296  983.605   40.237  923.617   54.147  380.763   7.7980  368.750   10.836 12.01370 13.35007 
1 1 1  -23    2   31 o  580.299   8.8233  2287.64   65.593  2283.76   80.535  2295.29  113.048  579.891   10.248  580.707   14.366 -0.8161011 17.64657 
1 1 1  -23    2   32 o  433.391   7.2225  1271.52   40.180  1262.71   49.371  1288.80   69.147  431.339   8.4463  435.443   11.718 -4.104004 14.44493 
1 1 1  -23    2   33 o  377.742   7.7515  969.286   39.665  980.891   56.994  958.385   55.237  379.923   11.070  375.560   10.853 4.362457 15.50306 
1 1 1  -23    2   34 o  261.523   5.9233  465.397   19.767  460.772   34.228  467.712   24.213  260.467   9.6972  262.579   6.8048 -2.111755 11.84651 
1 1 1  -23    2   35 o  242.786   4.7738  399.740   15.703  406.247   22.492  393.553   21.933  244.712   6.7825  240.861   6.7198 3.851166 9.547684 
1 1 1  -23    2   36 f  368.303   6.7532  928.135   31.820  900.806   54.529  942.246   39.183  364.004   11.054  372.601   7.7602 -8.597198 13.50638 
1 1 1  -23    2   37 o  417.705   5.8753  1184.58   33.256  1183.00   47.146  1186.15   46.918  417.425   8.3345  417.986   8.2832 -0.5611877 11.75054 
1 1 1  -23    2   38 o  193.786   5.8226  256.486   14.315  250.637   24.984  259.345   17.466  192.060   9.5995  195.513   6.5923 -3.452774 11.64511 
1 1 1  -23    2   39 o  297.487   6.2104  605.216   23.585  588.759   40.617  613.588   28.970  294.289   10.185  300.685   7.1097 -6.396118 12.42089 
1 1 1  -23    2   40 o  399.355   5.7314  1082.86   31.015  1066.23   43.608  1099.89   44.120  396.251   8.1210  402.460   8.0897 -6.208923 11.46271 
1 1 1  -23    2   41 o  394.404   5.6973  1056.21   30.447  1035.28   42.769  1077.71   43.354  390.441   8.0834  398.368   8.0308 -7.927032 11.39451 
1 1 1  -23    2   42 o  555.245   8.7058  2096.30   61.546  2088.12   75.075  2113.06  107.477  554.120   9.9979  556.369   14.255 -2.248779 17.41162 
1 1 1  -23    2   43 o  429.349   7.3972  1251.57   40.402  1246.42   49.234  1262.18   70.695  428.308   8.4825  430.390   12.121 -2.081390 14.79442 
1 1 1  -23    2   44 o  227.435   4.8016  351.138   14.798  349.993   20.986  352.270   20.870  227.064   6.8202  227.805   6.7606 -0.7411194 9.603131 
1 1 1  -23    2   45 o  314.437   5.1847  671.420   22.092  672.406   31.340  670.446   31.146  314.665   7.3496  314.210   7.3149 0.4556885 10.36935 
1 1 1  -23    2   46 o  425.828   5.9740  1232.31   34.471  1211.38   48.462  1253.74   49.041  422.166   8.4711  429.491   8.4260 -7.325531 11.94810 
1 1 1  -23    2   47 o  592.670   7.4293  2391.97   59.668  2398.35   84.593  2385.66   84.175  593.453   10.519  591.888   10.494 1.564636 14.85862 
1 1 1  -23    2   48 o  450.739   6.1938  1381.54   37.831  1366.37   53.293  1396.94   53.712  448.242   8.7735  453.235   8.7451 -4.992523 12.38754 
1 1 1  -23    2   49 o  269.011   4.9933  491.495   18.202  497.578   25.904  485.562   25.582  270.655   7.0627  267.367   7.0605 3.287659 9.986603 
1 1 1  -23    2   50 o  324.435   5.2968  715.088   23.284  701.804   32.632  728.867   33.234  321.366   7.4932  327.504   7.4884 -6.138245 10.59353 
1 1 1  -23    2   51 o  301.002   6.2294  620.035   24.247  628.677   30.201  604.362   40.670  304.164   7.3272  297.840   10.076 6.323944 12.45880 
1 1 1  -23    2   52 o  256.826   6.0507  443.233   19.981  466.165   34.559  431.718   24.490  261.597   9.7486  252.055   7.1698 9.542099 12.10132 
1 1 1  -23    2   53 o  245.038   7.0420  407.596   23.329  386.401   31.690  432.670   34.468  238.131   9.8202  251.945   10.096 -13.81372 14.08391 
1 1 1  -23    2   54 o  241.443   7.0890  396.450   23.153  382.213   31.614  412.919   34.002  236.805   9.8516  246.081   10.196 -9.276703 14.17809 
1 1 1  -23    2   55 o  405.225   5.8857  1117.31   32.317  1134.08   46.085  1101.09   45.331  408.214   8.3309  402.237   8.3163 5.977173 11.77134 
1 1 1  -23    2   56 o  235.960   4.9369  378.479   15.784  377.744   22.484  379.193   22.164  235.728   7.0384  236.192   6.9248 -0.4641266 9.873785 
1 1 1  -23    2   57 o  210.560   6.3685  312.675   16.703  274.053   29.232  331.398   20.353  200.315   10.769  220.805   6.8020 -20.48903 12.73703 
1 1 1  -23    2   58 o  284.949   6.4450  559.283   23.184  537.039   40.637  570.018   28.228  280.387   10.695  289.511   7.1951 -9.124512 12.88998 
1 1 1  -23    2   59 o  131.200   6.8125  113.011   11.312  105.739   13.545  129.773   20.564  124.626   8.0201  137.774   11.014 -13.14894 13.62502 
1 1 1  -23    2   60 o  176.858   5.0838  212.554   12.177  203.254   16.930  222.521   17.527  172.851   7.2278  180.866   7.1511 -8.014908 10.16757 
1 1 1  -23    2   61 o  150.376   5.2889  154.195   10.751  142.237   15.245  166.025   15.164  144.538   7.7835  156.215   7.1630 -11.67691 10.57784 
1 1 1  -23    2   62 o  209.232   5.0927  297.928   14.438  293.965   20.464  301.856   20.374  207.839   7.2657  210.626   7.1380 -2.787048 10.18531 
1 1 1  -23    2   63 f  249.311   5.0614  423.004   17.099  417.833   24.164  428.190   24.199  247.779   7.1965  250.842   7.1190 -3.063950 10.12273 
1 1 1  -23    2   64 o  353.548   5.5777  851.602   26.722  839.063   37.673  864.300   37.909  350.921   7.9220  356.176   7.8540 -5.255280 11.15540 
1 1 1  -23    2   65 o  210.448   5.0269  301.276   14.331  310.906   20.597  292.238   19.952  213.705   7.1121  207.191   7.1061 6.514420 10.05377 
1 1 1  -23    2   66 o  225.347   5.0563  345.725   15.438  350.478   22.073  341.174   21.601  226.858   7.1801  223.836   7.1212 3.022369 10.11260 
1 1 1  -23    2   67 o  283.444   5.2376  547.454   20.117  551.414   28.583  543.568   28.319  284.458   7.4150  282.430   7.3992 2.027496 10.47524 
1 1 1  -23    2   68 o  162.671   6.1301  175.923   13.062  163.024   16.243  199.535   21.975  154.595   7.7532  170.748   9.4973 -16.15259 12.26013 
1 1 1  -23    2   69 o  242.601   6.1293  398.496   19.181  415.065   32.866  389.938   23.621  246.071   9.8560  239.132   7.2891 6.938278 12.25852 
1 1 1  -23    2   70 o  206.499   5.1144  290.958   14.309  284.600   20.275  297.269   20.196  204.233   7.3256  208.766   7.1389 -4.532730 10.22882 
1 1 1  -23    2   71 o  220.515   5.1111  331.056   15.250  356.904   22.176  307.863   21.006  228.676   7.1560  212.354   7.2996 16.32216 10.22215 
1 1 1  -23    2   72 o  194.542   5.1043  258.535   13.456  256.567   19.089  260.477   18.970  193.795   7.2686  195.288   7.1683 -1.492996 10.20867 
1 1 1  -23    2   73 o  174.276   6.6367  207.492   14.347  212.388   26.350  205.429   17.105  175.213   11.098  173.339   7.2818 1.874054 13.27333 
1 1 1  -23    2   74 o  116.088   9.0047   93.986   14.153   99.776   20.352   88.564   19.694  119.593   12.558  112.582   12.909 7.011078 18.00932 
1 1 1  -23    2   75 o  150.205   5.4016  154.747   10.990  149.247   15.527  160.268   15.557  147.499   7.7682  152.910   7.5076 -5.411087 10.80320 
1 1 1  -23    2   76 o  237.347   5.1005  386.205   16.403  386.329   23.366  386.085   23.033  237.365   7.2642  237.330   7.1618 0.3575134E-01 10.20094 
1 1 1  -23    2   77 o  246.975   5.1361  418.711   17.189  424.635   24.427  412.900   24.193  248.712   7.2475  245.238   7.2797 3.474960 10.27227 
1 1 1  -23    2   78 o   87.504   6.6546   53.326   7.8271   45.315   10.989   61.575   11.151   80.663   10.053   94.345   8.7220 -13.68127 13.30929 
1 1 1  -23    2   79 o   84.624   9.3198   49.805   10.688   0.0000   0.0000   49.805   10.688  ?   ?    84.624   9.3198      ?      ? 
1 1 1  -23    2   80 o  159.271   5.1619  174.994   11.137  169.223   15.744  180.773   15.755  156.596   7.4192  161.945   7.1789 -5.349487 10.32386 
1 1 1  -23    2   81 o  114.221   5.6722   90.497   8.7472  100.901   12.541   80.640   12.207  120.729   7.6651  107.713   8.3630 13.01682 11.34430 
1 1 1  -23    2   82 o  148.398   7.1281  154.871   14.289  172.985   20.786  138.642   19.675  156.770   9.7842  140.026   10.369 16.74344 14.25625 
1 1 1  -23    2   83 o  164.462   6.9739  191.148   15.534  192.544   22.378  189.850   21.580  164.938   10.012  163.987   9.7109 0.9508209 13.94774 
1 1 1  -23    2   84 o   99.023   8.0972   70.666   10.810   79.933   15.524   61.943   15.062  105.632   10.845   92.415   12.027 13.21707 16.19437 
1 1 1  -23    2   85 o   47.996   10.366   15.770   8.2652   29.247   12.170   4.2351   11.260   61.135   14.840   34.856   14.478 26.27892 20.73248 
1 1 1  -23    2   86 o  107.762   7.6644   84.027   11.187   82.323   15.954   85.676   15.691  106.553   11.049  108.970   10.626 -2.416931 15.32885 
1 1 1  -23    3    1 o  254.677   5.5466  434.978   18.236  424.073   22.451  456.123   31.262  250.078   6.6250  259.275   8.8976 -9.197296 11.09314 
1 1 1  -23    3    2 o  660.758   9.6998  2941.84   81.602  2893.05   99.221  3043.81  143.446  652.722   11.217  668.793   15.828 -16.07104 19.39952 
1 1 1  -23    3    3 o  555.081   7.9961  2089.96   60.148  2089.96   60.148   0.0000   0.0000  555.081   7.9961  ?   ?       ?      ? 
1 1 1  -23    3    4 o  579.959   8.2170  2289.48   56.312  2295.10   65.302  2273.20  111.217  581.669   8.2845  578.248   14.193 3.420349 16.43395 
1 1 1  -23    3    5 o  378.158   6.1773  982.871   27.889  997.481   32.624  943.207   53.754  383.562   6.2764  372.755   10.641 10.80692 12.35455 
1 1 1  -23    3    6 o  368.515   6.0644  924.076   26.631  927.202   31.028  915.331   51.901  369.808   6.1914  367.223   10.429 2.584686 12.12873 
1 1 1  -23    3    7 f  635.778   8.8357  2751.04   66.363  2756.67   76.940  2734.70  131.152  637.440   8.9070  634.115   15.262 3.325623 17.67136 
1 1 1  -23    3    8 o  800.255   10.744  4383.20  101.725  4413.25  118.185  4297.30  199.823  806.304   10.816  794.206   18.566 12.09753 21.48739 
1 1 1  -23    3    9 o  513.666   7.5252  1797.24   45.842  1803.97   53.277  1778.04   89.966  515.750   7.6229  511.583   12.977 4.167358 15.05038 
1 1 1  -23    3   10 o  961.973   12.673  6316.10  143.645  6330.83  166.354  6272.93  284.807  965.386   12.716  958.560   21.925 6.826538 25.34603 
1 1 1  -23    3   11 o  860.331   11.463  5072.87  116.739  5112.69  135.703  4959.50  228.962  867.748   11.540  852.915   19.810 14.83325 22.92582 
1 1 1  -23    3   12 o  843.384   11.246  4788.36  110.889  4739.89  127.516  4938.71  224.586  835.554   11.262  851.214   19.470 -15.66022 22.49221 
1 1 1  -23    3   13 o  952.480   10.866  6169.75  140.254  6195.15  199.081  6144.71  197.625  954.421   15.392  950.539   15.342 3.882019 21.73273 
1 1 1  -23    3   14 o  510.102   6.5141  1765.38   45.028  1770.95   63.981  1759.91   63.381  510.898   9.2414  509.306   9.1833 1.591980 13.02828 
1 1 1  -23    3   15 o  781.638   9.1269  4149.59   96.661  4212.04  138.138  4089.68  135.304  787.392   12.946  775.883   12.869 11.50922 18.25387 
1 1 1  -23    3   16 o  639.401   7.7309  2775.40   66.986  2756.94   94.545  2794.00   94.921  637.265   10.948  641.537   10.918 -4.271484 15.46183 
1 1 1  -23    3   17 o  362.304   6.5352  889.479   30.051  893.937   52.789  887.341   36.551  362.887   10.735  361.720   7.4567 1.166504 13.07045 
1 1 1  -23    3   18 o  382.299   6.7194  982.856   32.523  1016.61   57.802  967.221   39.341  386.961   11.023  377.638   7.6875 9.323090 13.43879 
1 1 1  -23    3   19 o  582.491   7.2005  2301.94   56.824  2349.41   81.446  2256.92   79.318  588.337   10.216  576.646   10.150 11.69104 14.40091 
1 1 1  -23    3   20 o  549.768   6.9005  2050.79   51.404  2080.15   73.377  2022.50   72.033  553.629   9.7804  545.907   9.7371 7.721558 13.80100 
1 1 1  -23    3   21 o  682.463   8.1671  3163.10   75.531  3165.67  106.977  3160.55  106.659  682.737   11.563  682.189   11.537 0.5484619 16.33416 
1 1 1  -23    3   22 o  254.073   4.6586  437.725   16.038  437.786   22.850  437.666   22.516  254.089   6.6361  254.057   6.5399 0.3215027E-01 9.317142 
1 1 1  -23    3   23 o  209.320   4.5084  296.931   12.784  303.493   18.368  290.766   17.805  211.561   6.4067  207.079   6.3447 4.481918 9.016755 
1 1 1  -23    3   24 f  306.816   6.2107  648.205   24.337  668.309   30.046  609.850   41.501  313.914   7.0630  299.719   10.218 14.19556 12.42134 
1 1 1  -23    3   25 o  122.323   6.2733  103.671   9.6451  107.539   11.756   95.705   16.870  125.924   6.8891  118.723   10.486 7.201408 12.54659 
1 1 1  -23    3   26 o  639.492   7.7808  2776.94   67.420  2820.70   96.217  2734.72   94.500  644.439   11.018  634.545   10.990 9.894592 15.56152 
1 1 1  -23    3   27 o  616.501   9.2137  2579.94   72.737  2571.22   89.232  2597.20  125.573  615.298   10.702  617.704   15.001 -2.405457 18.42734 
1 1 1  -23    3   28 o  483.528   8.9218  1589.32   58.452  1599.69   83.457  1579.33   81.893  485.067   12.696  481.990   12.538 3.077118 17.84368 
1 1 1  -23    3   29 o  380.582   6.7506  980.084   32.810  993.210   57.054  973.599   40.104  382.354   11.011  378.811   7.8124 3.543304 13.50127 
1 1 1  -23    3   30 o  456.664   6.1420  1415.16   38.005  1387.03   53.341  1444.17   54.162  452.054   8.7074  461.274   8.6647 -9.220703 12.28394 
1 1 1  -23    3   31 o  199.550   4.6525  270.097   12.577  269.683   17.997  270.492   17.584  199.398   6.6604  199.702   6.4978 -0.3039856 9.304929 
1 1 1  -23    3   32 o  258.238   4.8135  452.271   16.833  429.491   23.605  475.839   24.011  251.619   6.9228  264.858   6.6897 -13.23909 9.626913 
1 1 1  -23    3   33 o  225.441   4.7115  344.853   14.390  339.103   20.476  350.465   20.227  223.580   6.7581  227.302   6.5665 -3.722473 9.422933 
1 1 1  -23    3   34 o  210.495   4.6758  300.559   13.334  301.190   19.086  299.957   18.637  210.708   6.6841  210.282   6.5402 0.4261932 9.351548 
1 1 1  -23    3   35 o  289.047   4.9806  566.849   19.506  569.412   27.850  564.381   27.330  289.686   7.0943  288.409   6.9927 1.276642 9.961276 
1 1 1  -23    3   36 o  353.223   7.5717  846.815   36.243   0.0000   0.0000  846.815   36.243  ?   ?   353.223   7.5717      ?      ? 
1 1 1  -23    3   37 o  357.597   7.6332  868.013   36.990   0.0000   0.0000  868.013   36.990  ?   ?   357.597   7.6332      ?      ? 
1 1 1  -23    3   38 o  407.318   5.7861  1126.45   31.934  1136.18   45.538  1117.03   44.795  409.046   8.2152  405.590   8.1501 3.456055 11.57212 
1 1 1  -23    3   39 f  316.024   5.1636  677.991   22.111  667.423   31.314  688.499   31.224  313.562   7.3695  318.486   7.2347 -4.923187 10.32716 
1 1 1  -23    3   40 o  442.065   6.0724  1327.57   36.376  1329.44   51.661  1325.73   51.228  442.370   8.6178  441.760   8.5573 0.6099243 12.14476 
1 1 1  -23    3   41 o  372.251   5.5401  940.946   27.945  949.271   39.824  932.869   39.224  373.871   7.8603  370.632   7.8095 3.238495 11.08029 
1 1 1  -23    3   42 o  373.288   5.5791  946.166   28.218  968.739   40.259  924.367   39.563  377.665   7.8663  368.910   7.9138 8.755920 11.15827 
1 1 1  -23    3   43 o  414.746   7.3226  1182.91   38.799  1208.86   47.802  1132.80   66.423  421.794   8.3631  407.698   12.023 14.09610 14.64520 
1 1 1  -23    3   44 o  425.941   5.9722  1232.96   34.471  1221.85   48.665  1244.14   48.835  424.012   8.4695  427.870   8.4224 -3.858276 11.94447 
1 1 1  -23    3   45 o  303.775   5.1377  626.670   21.148  616.062   29.803  637.429   30.014  301.182   7.3020  306.368   7.2294 -5.185730 10.27540 
1 1 1  -23    3   46 o  468.599   6.3278  1493.20   40.182  1479.42   56.589  1507.22   57.065  466.417   8.9531  470.782   8.9447 -4.364197 12.65568 
1 1 1  -23    3   47 o  478.235   6.4138  1555.60   41.564  1535.24   58.498  1576.35   59.068  475.072   9.0865  481.397   9.0545 -6.325562 12.82764 
1 1 1  -23    3   48 o  224.945   4.8462  343.171   14.762  360.112   21.323  327.578   20.457  230.271   6.8333  219.620   6.8738 10.65114 9.692445 
1 1 1  -23    3   49 o  211.803   5.7503  307.342   15.887  313.960   20.045  296.162   26.052  214.995   6.8802  208.610   9.2156 6.385162 11.50060 
1 1 1  -23    3   50 o  178.159   5.7317  216.903   13.348  220.011   16.857  211.680   21.855  179.964   6.9122  176.354   9.1450 3.610291 11.46344 
1 1 1  -23    3   51 o  181.020   4.8649  222.554   11.932  227.459   17.034  217.829   16.720  182.979   6.8696  179.062   6.8903 3.916748 9.729731 
1 1 1  -23    3   52 o   95.040   6.0255   61.404   7.7566   63.851   11.162   59.118   10.787   96.871   8.5025   93.209   8.5402 3.661446 12.05104 
1 1 1  -23    3   53 o  379.294   6.8976  974.369   33.395  998.456   58.259  962.581   40.756  382.405   11.242  376.183   7.9948 6.222412 13.79525 
1 1 1  -23    3   54 o  315.401   6.4046  676.934   25.830  679.329   44.678  675.732   31.657  315.550   10.448  315.252   7.4103 0.2985229 12.80927 
1 1 1  -23    3   55 o  189.165   4.9020  243.238   12.565  240.100   17.785  246.365   17.754  187.942   6.9831  190.387   6.8815 -2.445435 9.803995 
1 1 1  -23    3   56 o  221.117   6.2292  340.057   17.340  313.539   30.211  353.085   21.176  214.323   10.402  227.912   6.8563 -13.58870 12.45831 
1 1 1  -23    3   57 o  221.424   6.4570  344.825   17.713  306.998   31.441  362.413   21.439  211.960   10.946  230.889   6.8520 -18.92941 12.91392 
1 1 1  -23    3   58 o  188.073   5.9734  233.863   14.544  264.498   25.156  218.480   17.825  196.933   9.4262  179.213   7.3398 17.72000 11.94677 
1 1 1  -23    3   59 o  220.697   6.3571  330.340   17.746  327.301   21.487  336.861   31.472  219.347   7.2289  222.046   10.459 -2.698639 12.71412 
1 1 1  -23    3   60 o  126.506   7.0157  107.584   11.223  104.676   13.530  113.997   20.092  123.976   8.0532  129.037   11.490 -5.061104 14.03146 
1 1 1  -23    3   61 f  254.776   5.1600  441.375   17.808  454.725   25.635  428.926   24.755  258.492   7.3183  251.059   7.2762 7.433853 10.31991 
1 1 1  -23    3   62 o  245.488   5.0780  410.155   16.889  408.041   24.091  412.198   23.685  244.854   7.2603  246.122   7.1014 -1.267944 10.15592 
1 1 1  -23    3   63 o  160.585   5.1773  175.623   11.262  171.613   16.026  179.536   15.829  158.759   7.4492  162.410   7.1923 -3.650482 10.35469 
1 1 1  -23    3   64 o  137.184   5.4381  128.245   10.106  125.592   14.359  130.851   14.227  135.766   7.8046  138.602   7.5748 -2.835907 10.87611 
1 1 1  -23    3   65 o  308.727   5.3336  649.395   22.312  645.496   31.684  653.231   31.426  307.795   7.5961  309.658   7.4891 -1.862732 10.66712 
1 1 1  -23    3   66 o  289.974   5.2582  572.992   20.660  562.445   29.197  583.568   29.239  287.288   7.4996  292.661   7.3724 -5.373169 10.51646 
1 1 1  -23    3   67 o  224.575   6.0117  344.061   17.574  343.132   21.977  345.708   29.266  224.399   7.2271  224.751   9.6089 -0.3526154 12.02339 
1 1 1  -23    3   68 o  201.693   6.0952  279.550   16.100  284.148   20.406  271.968   26.205  204.135   7.3768  199.252   9.7050 4.883255 12.19034 
1 1 1  -23    3   69 o  172.734   6.1875  204.975   13.777  201.312   23.300  206.944   17.083  171.281   10.038  174.187   7.2370 -2.906082 12.37500 
1 1 1  -23    3   70 f  155.976   5.2773  166.103   11.154  166.900   15.811  165.314   15.739  156.348   7.4626  155.603   7.4639 0.7450714 10.55461 
1 1 1  -23    3   71 o  221.004   5.1069  333.568   15.288  320.997   21.544  346.320   21.698  216.782   7.3336  225.226   7.1091 -8.443253 10.21379 
1 1 1  -23    3   72 o  146.297   5.4375  146.443   10.779  144.720   15.276  148.151   15.212  145.429   7.7513  147.165   7.6279 -1.736252 10.87505 
1 1 1  -23    3   73 o  152.882   6.9425  162.560   13.129  157.495   23.881  164.754   15.718  150.611   11.701  155.154   7.4757 -4.542603 13.88510 
1 1 1  -23    3   74 o  179.765   6.6006  216.894   14.939  207.462   17.888  238.643   27.163  173.992   7.5866  185.538   10.803 -11.54552 13.20122 
1 1 1  -23    3   75 o  146.657   5.4164  147.629   10.762  144.646   15.268  150.574   15.172  145.160   7.7616  148.154   7.5570 -2.994736 10.83285 
1 1 1  -23    3   76 o  120.795   5.6559  100.358   9.2570  102.614   13.203   98.177   12.982  122.135   7.9773  119.455   8.0199 2.679192 11.31174 
1 1 1  -23    3   77 o  134.394   5.4283  124.248   9.8820  125.474   14.211  123.101   13.751  135.011   7.7672  133.777   7.5854 1.234741 10.85667 
1 1 1  -23    3   78 o   71.230   7.9064   36.476   7.3424   30.348   10.516   42.306   10.257   64.505   12.481   77.955   9.7091 -13.45001 15.81278 
1 1 1  -23    3   79 o  138.867   5.2778  132.964   9.9306  135.924   14.160  130.100   13.931  140.394   7.4426  137.339   7.4853 3.054703 10.55561 
1 1 1  -23    3   80 o   93.240   6.2657   60.445   7.9076   64.673   11.406   56.533   10.972   96.411   8.7304   90.068   8.9897 6.342735 12.53140 
1 1 1  -23    3   81 o   99.275   6.0176   68.547   8.0843   73.782   11.661   63.702   11.218  102.967   8.3570   95.582   8.6606 7.384552 12.03518 
1 1 1  -23    3   82 o  125.443   7.2485  111.101   12.306  117.962   17.934  104.997   16.917  129.093   10.252  121.793   10.250 7.299706 14.49691 
1 1 1  -23    3   83 o   60.334   9.6873   24.019   9.5260   1.2750   12.642   53.898   14.490   34.516   14.877   86.152   12.411 -51.63664 19.37451 
1 1 1  -23    3   84 o  111.788   7.6658   89.145   11.556  102.348   17.045   77.918   15.719  119.582   10.519  103.994   11.154 15.58789 15.33157 
1 1 1  -23    3   85 o  137.877   7.1884  136.213   13.425  133.652   19.138  138.695   18.837  136.466   10.349  139.289   9.9796 -2.823456 14.37673 
1 1 1  -23    4    1 o  557.187   6.9397  2106.27   52.372  2145.26   75.554  2070.22   72.660  562.135   9.9182  552.239   9.7092 9.896851 13.87949 
1 1 1  -23    4    2 o  620.222   8.6573  2642.50   63.863  2674.36   74.502  2554.22  124.009  627.786   8.7574  612.657   14.937 15.12854 17.31459 
1 1 1  -23    4    3 o  563.154   7.9922  2135.17   52.940  2116.28   61.075  2192.24  106.167  558.524   8.0693  567.785   13.798 -9.261230 15.98446 
1 1 1  -23    4    4 o  539.591   7.7494  1957.96   49.151  1938.83   56.671  2016.01   98.739  534.621   7.8222  544.561   13.380 -9.939392 15.49887 
1 1 1  -23    4    5 o  380.387   7.6009  981.439   39.181  981.439   39.181   0.0000   0.0000  380.387   7.6009  ?   ?       ?      ? 
1 1 1  -23    4    6 o  457.103   7.0138  1416.99   43.446  1416.99   43.446   0.0000   0.0000  457.103   7.0138  ?   ?       ?      ? 
1 1 1  -23    4    7 o  712.859   9.7257  3487.23   82.347  3522.98   95.952  3387.27  160.428  720.449   9.8281  705.269   16.786 15.18036 19.45132 
1 1 1  -23    4    8 o  605.374   8.5057  2507.23   61.170  2526.69   71.233  2452.56  119.371  610.259   8.6136  600.490   14.669 9.769348 17.01131 
1 1 1  -23    4    9 o  234.276   5.3278  374.283   16.199  379.445   20.260  365.135   26.971  236.562   6.3198  231.990   8.5791 4.572449 10.65554 
1 1 1  -23    4   10 o  393.244   6.2959  1052.99   29.628  1057.26   34.607  1041.27   57.337  394.871   6.4673  391.617   10.804 3.253784 12.59187 
1 1 1  -23    4   11 o  461.233   6.9773  1455.81   38.457  1469.45   44.946  1418.53   74.302  465.488   7.1252  456.978   11.998 8.510162 13.95459 
1 1 1  -23    4   12 o  463.120   7.0306  1479.02   39.065  1506.90   45.874  1405.47   74.516  471.378   7.1815  454.861   12.089 16.51657 14.06113 
1 1 1  -23    4   13 o  399.338   6.3677  1089.10   30.463  1097.27   35.635  1066.95   58.713  402.269   6.5370  396.406   10.930 5.863312 12.73540 
1 1 1  -23    4   14 o  242.299   5.1987  406.666   15.332  418.148   18.207  378.678   28.426  248.357   5.4097  236.242   8.8792 12.11499 10.39739 
1 1 1  -23    4   15 o  607.815   7.4309  2508.04   61.205  2518.88   86.909  2497.37   86.209  609.116   10.529  606.515   10.489 2.601257 14.86182 
1 1 1  -23    4   16 o  714.857   8.4766  3470.92   82.108  3509.78  117.078  3433.30  115.182  718.790   12.020  710.925   11.956 7.865295 16.95322 
1 1 1  -23    4   17 o  452.204   6.0226  1386.81   36.897  1412.12   52.901  1362.84   51.489  456.218   8.5568  448.191   8.4775 8.026917 12.04522 
1 1 1  -23    4   18 o  383.196   6.7926  1004.89   33.131  972.253   57.311  1021.27   40.603  378.369   11.177  388.023   7.7218 -9.653503 13.58522 
1 1 1  -23    4   19 o  530.598   8.3052  1916.12   56.154  1901.78   97.557  1923.22   68.670  528.878   13.612  532.318   9.5195 -3.440674 16.61043 
1 1 1  -23    4   20 o  568.534   7.0784  2194.20   54.533  2202.73   77.510  2185.84   76.738  569.625   10.041  567.443   9.9794 2.181946 14.15677 
1 1 1  -23    4   21 o  631.878   7.6813  2711.42   65.771  2721.86   93.427  2701.16   92.607  633.080   10.890  630.675   10.836 2.404419 15.36250 
1 1 1  -23    4   22 o  567.789   8.6307  2200.44   63.073  2222.07   78.056  2159.74  107.064  572.094   10.068  563.483   14.021 8.610413 17.26150 
1 1 1  -23    4   23 o  512.815   8.0526  1793.27   53.301  1808.93   66.152  1764.29   89.994  516.227   9.4563  509.402   13.037 6.824982 16.10516 
1 1 1  -23    4   24 o  423.404   8.1530  1217.38   46.761  1240.79   67.287  1195.53   65.031  427.328   11.619  419.480   11.440 7.848602 16.30597 
1 1 1  -23    4   25 o  414.002   7.1711  1156.08   37.597  1142.20   45.534  1185.82   66.650  410.282   8.1897  417.722   11.774 -7.440033 14.34229 
1 1 1  -23    4   26 o  648.932   9.6879  2842.80   79.753  2802.39   96.699  2928.75  141.032  642.237   11.111  655.627   15.874 -13.39020 19.37589 
1 1 1  -23    4   27 o  433.585   5.9416  1275.78   34.909  1282.12   49.702  1269.61   49.041  434.646   8.4383  432.525   8.3669 2.120819 11.88321 
1 1 1  -23    4   28 o  363.298   5.4103  895.426   26.634  902.787   37.977  888.303   37.362  364.765   7.6829  361.832   7.6197 2.933807 10.82063 
1 1 1  -23    4   29 o  465.011   6.2247  1467.87   39.223  1473.12   55.777  1462.73   55.168  465.831   8.8358  464.191   8.7701 1.639191 12.44935 
1 1 1  -23    4   30 o  597.995   7.4063  2429.71   60.018  2415.22   84.764  2444.29   84.992  596.203   10.491  599.786   10.457 -3.583252 14.81264 
1 1 1  -23    4   31 o  528.378   6.7769  1896.02   48.520  1913.05   69.177  1879.54   68.072  530.708   9.6188  526.049   9.5490 4.658752 13.55378 
1 1 1  -23    4   32 o  230.539   4.7195  360.795   14.734  348.400   20.953  372.920   20.723  226.613   6.8232  234.465   6.5222 -7.851761 9.439011 
1 1 1  -23    4   33 o  264.882   5.9476  483.963   20.104  453.229   34.292  500.057   24.816  258.277   9.7978  271.488   6.7452 -13.21082 11.89515 
1 1 1  -23    4   34 o  277.398   5.9828  523.941   21.163  518.224   36.685  526.793   25.909  276.160   9.8028  278.637   6.8616 -2.477020 11.96562 
1 1 1  -23    4   35 o  183.154   4.6950  227.630   11.637  227.086   16.891  228.122   16.056  182.939   6.8135  183.368   6.4613 -0.4298401 9.390033 
1 1 1  -23    4   36 o  201.276   5.8097  275.582   14.709  273.793   26.199  276.406   17.775  200.716   9.6320  201.837   6.4988 -1.120667 11.61938 
1 1 1  -23    4   37 o  385.132   6.8864  998.826   33.576  1034.55   59.690  982.292   40.609  389.909   11.297  380.354   7.8787 9.554352 13.77286 
1 1 1  -23    4   38 o  348.130   5.3529  822.500   25.246  836.998   36.217  808.796   35.211  351.109   7.6118  345.151   7.5281 5.958130 10.70573 
1 1 1  -23    4   39 o  187.657   4.6973  238.653   11.933  246.422   17.351  231.680   16.438  190.547   6.7197  184.767   6.5652 5.780289 9.394528 
1 1 1  -23    4   40 f  217.120   4.7356  319.624   13.923  328.384   20.167  311.646   19.246  219.955   6.7658  214.284   6.6277 5.671448 9.471166 
1 1 1  -23    4   41 o  132.315   5.0480  118.720   9.0386  121.457   13.196  116.300   12.406  133.745   7.2806  130.885   6.9946 2.859955 10.09610 
1 1 1  -23    4   42 o  389.255   5.7015  1028.32   30.059  1068.94   43.328  990.627   41.737  396.658   8.0607  381.852   8.0657 14.80646 11.40306 
1 1 1  -23    4   43 o  578.080   9.0323  2298.83   66.851  2338.82   82.456  2222.12  114.197  586.161   10.381  569.998   14.784 16.16321 18.06465 
1 1 1  -23    4   44 o  421.034   5.9396  1204.83   33.887  1213.72   48.203  1196.16   47.648  422.565   8.4179  419.503   8.3817 3.062439 11.87910 
1 1 1  -23    4   45 o  427.898   5.9963  1244.74   34.769  1248.50   49.396  1241.04   48.949  428.535   8.5060  427.262   8.4540 1.272705 11.99258 
1 1 1  -23    4   46 o  389.271   5.7080  1030.01   30.110  1020.79   42.613  1039.21   42.550  387.524   8.1144  391.018   8.0301 -3.493500 11.41607 
1 1 1  -23    4   47 o  460.936   6.2749  1445.29   39.194  1445.98   55.623  1444.61   55.236  461.039   8.9030  460.833   8.8449 0.2067261 12.54975 
1 1 1  -23    4   48 o  390.201   6.9099  1038.18   34.791  1041.31   43.106  1032.33   58.926  391.346   8.1283  389.055   11.177 2.290771 13.81980 
1 1 1  -23    4   49 o  217.818   5.7801  326.819   16.390  338.628   20.711  307.031   26.809  223.270   6.8451  212.367   9.3158 10.90262 11.56024 
1 1 1  -23    4   50 o  238.947   4.8873  387.906   15.819  373.480   22.262  402.620   22.483  234.451   7.0068  243.444   6.8151 -8.992691 9.774515 
1 1 1  -23    4   51 o  173.477   4.8516  204.275   11.400  211.267   16.439  197.799   15.822  176.333   6.8796  170.622   6.8428 5.710587 9.703238 
1 1 1  -23    4   52 f  143.456   5.0465  139.896   9.8092  137.966   13.918  141.802   13.827  142.468   7.2090  144.444   7.0640 -1.975845 10.09303 
1 1 1  -23    4   53 o  101.948   6.9704   69.263   9.1658   76.001   15.890   65.904   11.221  105.494   11.115   98.401   8.4149 7.093102 13.94089 
1 1 1  -23    4   54 o  260.651   5.0271  461.939   17.752  458.673   25.333  465.090   24.884  259.735   7.1973  261.568   7.0204 -1.832367 10.05417 
1 1 1  -23    4   55 o  257.969   6.2606  457.705   20.452  440.864   35.670  465.953   24.963  254.145   10.357  261.792   7.0366 -7.647873 12.52124 
1 1 1  -23    4   56 o  260.994   6.2668  466.824   20.723  456.436   36.249  471.868   25.258  258.561   10.345  263.427   7.0755 -4.865967 12.53354 
1 1 1  -23    4   57 o  326.408   5.3563  724.376   23.683  747.552   34.072  702.711   32.942  331.454   7.5856  321.363   7.5644 10.09070 10.71266 
1 1 1  -23    4   58 f  244.436   5.0008  406.119   16.559  418.009   23.785  394.935   23.068  247.905   7.0800  240.967   7.0644 6.937210 10.00158 
1 1 1  -23    4   59 o  146.044   6.6466  145.903   12.248  146.566   14.850  144.493   21.660  146.752   7.4672  145.337   10.998 1.414825 13.29327 
1 1 1  -23    4   60 o  211.081   5.1153  303.233   14.629  297.131   20.718  309.302   20.661  208.952   7.3166  213.209   7.1508 -4.257477 10.23068 
1 1 1  -23    4   61 o  243.720   5.0699  404.328   16.739  391.844   23.677  416.803   23.667  239.942   7.2818  247.499   7.0564 -7.557556 10.13988 
1 1 1  -23    4   62 o  232.041   5.0935  366.717   16.006  356.641   22.823  376.471   22.454  228.879   7.3584  235.203   7.0448 -6.323776 10.18695 
1 1 1  -23    4   63 o  254.627   6.1517  436.621   20.056  459.788   34.993  425.289   24.475  259.319   9.9578  249.935   7.2261 9.383865 12.30347 
1 1 1  -23    4   64 o  153.319   7.6315  162.330   15.726  179.827   21.789  143.306   22.719  162.144   9.9164  144.495   11.603 17.64867 15.26299 
1 1 1  -23    4   65 o  148.951   6.7776  150.822   12.741  149.241   15.394  154.258   22.698  147.968   7.6774  149.934   11.172 -1.966751 13.55528 
1 1 1  -23    4   66 o  227.105   6.1484  357.960   18.079  372.853   22.735  332.342   29.818  233.929   7.1719  220.281   9.9889 13.64738 12.29687 
1 1 1  -23    4   67 o   87.747   8.2049   54.830   9.3346   61.156   12.056   45.361   14.750   94.519   9.4122   80.975   13.442 13.54412 16.40988 
1 1 1  -23    4   68 o  167.102   6.2647  190.506   13.467  192.828   23.048  189.302   16.594  167.620   10.147  166.585   7.3506 1.034683 12.52943 
1 1 1  -23    4   69 f   78.889   7.5768   42.978   8.0687   40.401   11.694   45.321   11.148   76.558   11.271   81.219   10.128 -4.660828 15.15354 
1 1 1  -23    4   70 o  225.088   5.1264  345.980   15.633  345.395   22.330  346.542   21.894  224.882   7.3275  225.293   7.1714 -0.4106903 10.25284 
1 1 1  -23    4   71 o  299.985   5.3617  614.980   21.777  579.006   30.383  652.984   31.228  290.925   7.7067  309.046   7.4565 -18.12112 10.72348 
1 1 1  -23    4   72 o  275.797   6.6000  521.499   22.856  528.349   40.975  518.405   27.537  276.320   10.943  275.274   7.3820 1.045349 13.19993 
1 1 1  -23    4   73 o  176.794   6.7464  216.538   15.159  218.510   18.535  212.554   26.346  178.563   7.6600  175.025   11.108 3.537720 13.49284 
1 1 1  -23    4   74 f  172.296   6.7013  202.715   14.445  199.096   17.305  211.028   26.229  170.397   7.4944  174.195   11.111 -3.797501 13.40254 
1 1 1  -23    4   75 o  131.755   5.5382  118.996   9.8247  138.578   14.296  101.470   13.524  142.094   7.4243  121.415   8.2198 20.67918 11.07637 
1 1 1  -23    4   76 o   54.879   8.4313   21.670   6.9279   4.9282   9.6835   39.226   9.9158   34.586   13.769   75.172   9.7339 -40.58593 16.86251 
1 1 1  -23    4   77 o  165.727   5.1535  188.891   11.573  190.597   16.482  187.232   16.254  166.459   7.3067  164.996   7.2694 1.463333 10.30691 
1 1 1  -23    4   78 o  177.432   5.1293  216.942   12.323  207.197   17.434  226.672   17.421  173.381   7.4203  181.483   7.0835 -8.101944 10.25853 
1 1 1  -23    4   79 o  153.718   5.2478  162.795   10.917  174.824   15.819  151.856   15.086  159.161   7.3341  148.274   7.5078 10.88750 10.49556 
1 1 1  -23    4   80 o  137.176   5.4011  130.322   10.039  129.508   14.274  131.118   14.122  136.727   7.7036  137.625   7.5723 -0.8983307 10.80214 
1 1 1  -23    4   81 o  190.115   7.0019  253.396   17.969  286.543   26.445  224.965   24.492  201.771   9.6718  178.460   10.127 23.31087 14.00380 
1 1 1  -23    4   82 o   81.118   9.3923   48.704   9.9819   57.720   14.401   40.366   13.848   89.477   11.877   72.760   14.554 16.71760 18.78458 
1 1 1  -23    4   83 o  115.089   7.5248   94.467   11.714  102.279   17.110   87.574   16.072  119.601   10.557  110.576   10.726 9.024429 15.04953 
1 1 1  -23    4   84 o   48.086   10.675   16.772   8.1871   26.134   12.079   8.8169   11.135   57.541   15.247   38.632   14.946 18.90876 21.35083 
1 1 1  -23    4   85 o   74.402   9.6070   41.904   9.3161   56.636   13.747   29.391   12.669   88.091   11.516   60.713   15.381 27.37818 19.21395 
1 1 1  -23    5    1 o  272.030   5.2704  519.826   17.455  545.063   20.853  460.764   31.902  283.531   5.4274  260.530   9.0361 23.00104 10.54073 
1 1 1  -23    5    2 o  498.734   7.2849  1683.76   43.104  1677.81   50.015  1700.94   84.979  497.311   7.4215  500.157   12.538 -2.846069 14.56973 
1 1 1  -23    5    3 o  549.103   7.8403  2053.49   51.165  2058.97   59.518  2037.98  100.149  550.866   7.9730  547.339   13.502 3.526611 15.68061 
1 1 1  -23    5    4 o  733.677   9.9383  3683.13   86.437  3705.19  100.507  3620.45  169.390  738.682   10.040  728.671   17.154 10.01080 19.87663 
1 1 1  -23    5    5 o  424.978   6.5688  1236.17   33.463  1248.08   39.181  1204.04   64.333  428.979   6.7399  420.977   11.277 8.001923 13.13756 
1 1 1  -23    5    6 o  295.216   5.3945  594.410   19.249  598.308   22.629  584.208   36.611  297.059   5.6214  293.374   9.2088 3.684631 10.78900 
1 1 1  -23    5    7 o  217.950   5.2085  322.040   15.383  322.040   15.383   0.0000   0.0000  217.950   5.2085  ?   ?       ?      ? 
1 1 1  -23    5    8 o  334.482   5.7581  762.897   23.116  767.356   27.058  750.851   44.475  336.407   5.9355  332.558   9.8688 3.849457 11.51616 
1 1 1  -23    5    9 o  174.087   5.0151  203.959   11.455  199.353   14.413  211.858   18.875  171.461   6.2033  176.714   7.8819 -5.253189 10.03023 
1 1 1  -23    5   10 o  333.108   5.7917  771.005   23.338  794.608   27.627  712.206   43.606  342.329   5.9554  323.886   9.9351 18.44315 11.58332 
1 1 1  -23    5   11 o  419.359   6.5533  1210.42   33.021  1230.63   38.788  1157.21   62.940  425.979   6.7194  412.738   11.253 13.24164 13.10658 
1 1 1  -23    5   12 o  419.941   6.5546  1205.61   33.006  1215.70   38.640  1178.37   63.479  423.388   6.7347  416.495   11.247 6.892853 13.10926 
1 1 1  -23    5   13 o  338.219   5.8483  790.977   23.975  810.261   28.367  742.765   44.853  345.680   6.0557  330.757   10.007 14.92361 11.69654 
1 1 1  -23    5   14 o  179.585   4.8589  218.080   10.895  217.063   13.061  220.407   19.755  178.932   5.3866  180.238   8.0882 -1.306244 9.717716 
1 1 1  -23    5   15 o  337.805   6.1484  775.464   26.910  778.086   33.499  770.693   45.185  338.688   7.2988  336.921   9.8964 1.767242 12.29680 
1 1 1  -23    5   16 o  223.498   5.2994  338.792   15.461  338.642   19.413  339.052   25.566  223.465   6.4107  223.530   8.4402 -0.6521606E-01 10.59876 
1 1 1  -23    5   17 o  303.845   5.8727  626.883   23.162  627.968   28.885  624.929   38.763  304.277   7.0052  303.413   9.4277 0.8637390 11.74537 
1 1 1  -23    5   18 o  430.197   7.0725  1250.80   39.187  1238.08   48.287  1275.33   67.067  427.148   8.3420  433.246   11.423 -6.097931 14.14501 
1 1 1  -23    5   19 o  739.166   17.368  3726.08  173.968   0.0000   0.0000  3726.08  173.968  ?   ?   739.166   17.368      ?      ? 
1 1 1  -23    5   20 o  548.321   6.9141  2041.03   51.367  2062.52   73.423  2020.43   71.889  551.141   9.8308  545.501   9.7248 5.640137 13.82812 
1 1 1  -23    5   21 o  504.440   6.5122  1726.31   44.501  1769.15   63.983  1686.17   61.934  510.494   9.2489  498.386   9.1703 12.10852 13.02444 
1 1 1  -23    5   22 o  266.881   4.7642  482.438   17.216  499.002   24.983  467.461   23.757  271.235   6.7970  262.527   6.6777 8.707306 9.528391 
1 1 1  -23    5   23 o  144.061   4.6875  141.149   9.1212  134.860   13.261  146.796   12.565  141.000   6.9405  147.122   6.3024 -6.122025 9.375002 
1 1 1  -23    5   24 o  324.248   5.1227  713.293   22.505  712.099   32.119  714.444   31.542  323.978   7.3160  324.519   7.1724 -0.5410461 10.24534 
1 1 1  -23    5   25 o  329.997   6.4308  739.992   27.014  741.204   32.984  737.524   47.080  330.523   7.3640  329.471   10.545 1.052277 12.86156 
1 1 1  -23    5   26 o  304.875   6.2481  632.596   24.226  635.584   29.577  626.505   42.229  306.076   7.1309  303.672   10.262 2.403839 12.49617 
1 1 1  -23    5   27 o  290.547   4.9206  572.566   19.369  578.593   27.779  566.865   27.019  292.032   7.0196  289.063   6.8975 2.968414 9.841222 
1 1 1  -23    5   28 o  498.434   6.4870  1687.01   43.813  1698.59   62.426  1675.78   61.506  500.115   9.2112  496.754   9.1367 3.360748 12.97403 
1 1 1  -23    5   29 o  673.356   9.9400  3074.42   85.194  3132.01  149.250  3046.59  103.758  677.387   16.259  669.326   11.439 8.060852 19.88008 
1 1 1  -23    5   30 o  641.903   9.5661  2790.04   78.118  2854.86  137.144  2758.91   95.044  646.818   15.646  636.988   11.011 9.830078 19.13220 
1 1 1  -23    5   31 o  322.737   6.3015  713.618   26.028  688.336   44.497  726.768   32.091  318.223   10.318  327.251   7.2363 -9.027771 12.60292 
1 1 1  -23    5   32 o  292.940   4.9911  582.534   19.807  569.668   28.141  595.166   27.883  289.726   7.1675  296.154   6.9478 -6.427277 9.982224 
1 1 1  -23    5   33 o  383.620   5.5679  999.099   28.942  977.841   40.791  1020.65   41.070  379.505   7.9316  387.734   7.8164 -8.229492 11.13586 
1 1 1  -23    5   34 o  210.526   4.6657  300.810   13.303  298.644   19.104  302.849   18.535  209.784   6.7201  211.267   6.4741 -1.483200 9.331318 
1 1 1  -23    5   35 o  265.579   4.8657  478.862   17.504  470.330   24.960  487.119   24.555  263.243   6.9970  267.915   6.7632 -4.671997 9.731337 
1 1 1  -23    5   36 o  277.031   6.0853  520.514   21.242  523.799   37.834  519.002   25.670  277.533   10.060  276.529   6.8502 1.003845 12.17067 
1 1 1  -23    5   37 o  249.556   5.9885  430.263   18.885  402.888   32.828  443.804   23.088  243.395   9.9529  255.717   6.6627 -12.32129 11.97709 
1 1 1  -23    5   38 o  340.455   5.3173  787.206   24.528  775.407   34.798  798.859   34.580  337.911   7.5991  342.999   7.4397 -5.087830 10.63465 
1 1 1  -23    5   39 o  240.313   4.8130  391.815   15.665  397.926   22.610  386.173   21.723  242.109   6.8913  238.517   6.7208 3.591187 9.625912 
1 1 1  -23    5   40 o  293.357   5.0445  583.620   20.041  604.782   28.992  564.255   27.734  298.441   7.1686  288.274   7.0994 10.16711 10.08909 
1 1 1  -23    5   41 o  625.926   7.7221  2668.24   65.498  2677.36   93.000  2659.27   92.262  626.980   10.946  624.873   10.895 2.106750 15.44414 
1 1 1  -23    5   42 o  324.097   6.5468  713.304   26.911  711.196   32.712  717.717   47.336  323.576   7.4602  324.619   10.761 -1.042816 13.09369 
1 1 1  -23    5   43 o   92.624   8.0549   62.578   9.1473   69.991   11.232   47.976   15.763  101.478   8.1677   83.771   13.886 17.70679 16.10972 
1 1 1  -23    5   44 o  325.610   5.2614  719.484   23.202  744.993   33.518  696.014   32.150  331.142   7.4693  320.078   7.4122 11.06378 10.52288 
1 1 1  -23    5   45 f  325.433   5.2665  719.616   23.225  715.744   32.931  723.447   32.759  324.557   7.4874  326.309   7.4083 -1.751343 10.53299 
1 1 1  -23    5   46 o  226.451   5.7277  348.197   16.902  347.007   21.159  350.294   28.095  226.023   6.9080  226.880   9.1381 -0.8566742 11.45536 
1 1 1  -23    5   47 o  125.858   5.9838  106.236   9.9752  101.017   12.685  114.693   16.147  121.907   7.6787  129.808   9.1795 -7.901360 11.96768 
1 1 1  -23    5   48 o  385.415   5.6933  1010.08   29.734  1017.15   42.342  1003.20   41.763  386.740   8.0792  384.089   8.0238 2.650940 11.38663 
1 1 1  -23    5   49 o  228.010   4.8838  353.336   15.086  346.825   21.444  359.716   21.228  225.921   7.0042  230.100   6.8079 -4.178452 9.767649 
1 1 1  -23    5   50 o  240.652   4.9238  393.440   16.053  397.990   23.038  389.148   22.380  241.997   7.0251  239.307   6.9011 2.690720 9.847686 
1 1 1  -23    5   51 o  203.752   4.8828  282.079   13.478  284.282   19.336  279.997   18.796  204.519   6.9768  202.985   6.8330 1.534409 9.765513 
1 1 1  -23    5   52 o  110.449   5.8044   82.159   8.5815  102.299   12.806   65.743   11.562  122.637   7.7056   98.262   8.6826 24.37492 11.60878 
1 1 1  -23    5   53 o  272.562   7.1291  505.095   26.332   0.0000   0.0000  505.095   26.332  ?   ?   272.562   7.1291      ?      ? 
1 1 1  -23    5   54 o  252.351   6.2784  441.079   20.033  413.310   34.777  454.869   24.507  246.044   10.430  258.657   6.9918 -12.61285 12.55682 
1 1 1  -23    5   55 o  464.346   6.3639  1469.52   40.044  1471.97   56.909  1467.12   56.355  464.718   9.0367  463.974   8.9630 0.7439880 12.72788 
1 1 1  -23    5   56 o  354.357   5.5367  853.927   26.574  881.564   38.315  828.310   36.889  359.871   7.8567  348.843   7.8034 11.02820 11.07343 
1 1 1  -23    5   57 f  140.384   5.2459  133.571   9.9497  149.109   14.541  119.892   13.644  148.044   7.2480  132.724   7.5859 15.31985 10.49186 
1 1 1  -23    5   58 o  164.411   6.6043  181.433   13.730  176.302   16.547  192.772   24.598  160.935   7.5874  167.887   10.812 -6.951859 13.20860 
1 1 1  -23    5   59 o  116.855   8.0028   96.993   11.365  101.977   13.582   85.359   20.752  122.340   8.1926  111.370   13.750 10.97015 16.00560 
1 1 1  -23    5   60 o  221.747   4.9983  334.605   15.012  320.875   21.127  348.608   21.336  217.137   7.1799  226.356   6.9556 -9.219406 9.996563 
1 1 1  -23    5   61 o  215.630   5.0119  316.516   14.642  310.306   20.763  322.660   20.651  213.513   7.1761  217.746   6.9985 -4.233154 10.02376 
1 1 1  -23    5   62 o  254.609   5.0890  441.273   17.554  444.772   25.148  437.948   24.515  255.582   7.2608  253.635   7.1326 1.946716 10.17804 
1 1 1  -23    5   63 o  292.220   5.2644  581.872   20.842  570.311   29.590  593.253   29.360  289.317   7.5473  295.122   7.3414 -5.805847 10.52885 
1 1 1  -23    5   64 o  160.397   5.2727  174.996   11.449  185.764   16.580  165.180   15.830  165.111   7.4101  155.684   7.5032 9.427231 10.54550 
1 1 1  -23    5   65 o  218.463   6.0424  328.879   17.213  337.171   21.738  314.939   28.185  222.439   7.2116  214.488   9.6970 7.951004 12.08470 
1 1 1  -23    5   66 o  197.329   6.0254  265.604   15.526  264.269   19.487  267.926   25.690  196.873   7.3041  197.785   9.5851 -0.9122467 12.05087 
1 1 1  -23    5   67 o  156.594   5.3590  167.907   11.334  156.851   16.321  178.205   15.752  151.542   7.9474  161.645   7.1912 -10.10318 10.71798 
1 1 1  -23    5   68 o  243.505   6.1599  396.845   19.114  432.700   33.918  380.158   23.139  250.992   9.9720  236.018   7.2345 14.97469 12.31988 
1 1 1  -23    5   69 o  165.346   6.2307  182.131   13.297  204.572   23.115  171.032   16.256  172.496   9.8885  158.196   7.5830 14.30074 12.46132 
1 1 1  -23    5   70 o  150.748   6.7422  147.977   12.980  133.220   15.595  181.258   23.419  139.443   8.2526  162.054   10.664 -22.61108 13.48446 
1 1 1  -23    5   71 o  182.748   7.7054  231.010   19.070  219.964   26.707  242.502   27.240  178.236   11.057  187.260   10.735 -9.023636 15.41072 
1 1 1  -23    5   72 o   66.551   11.069   30.575   9.0285   37.705   17.233   27.878   10.600   71.065   17.903   62.038   13.023 9.026569 22.13839 
1 1 1  -23    5   73 o  148.772   6.7845  146.554   12.680  136.764   15.087  170.108   23.401  141.132   7.8886  156.412   11.040 -15.28075 13.56910 
1 1 1  -23    5   74 o  123.702   6.6252  104.566   10.570  109.963   18.141  101.792   13.005  125.725   10.648  121.680   7.8869 4.044418 13.25047 
1 1 1  -23    5   75 o   50.682   9.5202   18.643   6.7069   22.950   9.8266   14.887   9.1767   55.897   13.186   45.468   13.735 10.42892 19.04030 
1 1 1  -23    5   76 o  113.636   5.6759   89.045   8.7376   91.275   12.556   86.951   12.166  115.007   8.0568  112.265   7.9971 2.742111 11.35190 
1 1 1  -23    5   77 o  130.683   5.4912  118.115   9.6724  103.346   13.568  133.376   13.792  122.224   8.1919  139.141   7.3146 -16.91758 10.98234 
1 1 1  -23    5   78 o  119.309   5.5891   98.703   9.0165   92.145   12.833  105.097   12.671  115.288   8.2142  123.331   7.5814 -8.043373 11.17817 
1 1 1  -23    5   79 o  121.663   5.6074  102.733   9.2084   91.395   12.885  114.570   13.165  114.665   8.2919  128.660   7.5509 -13.99454 11.21483 
1 1 1  -23    5   80 o  154.648   6.2183  170.313   12.508  179.838   15.912  154.913   20.232  161.161   7.2860  148.135   10.079 13.02699 12.43651 
1 1 1  -23    5   81 o  120.076   7.5491  102.732   12.280  102.029   17.559  103.405   17.179  119.585   10.835  120.566   10.514 -0.9809189 15.09828 
1 1 1  -23    5   82 f  103.691   7.9336   77.341   11.143   78.251   16.029   76.489   15.502  104.210   11.351  103.171   11.088 1.038963 15.86725 
1 1 1  -23    5   83 o   72.766   9.8494   40.152   9.4390   51.645   13.748   29.904   12.982   84.088   12.065   61.444   15.572 22.64450 19.69873 
1 1 1  -23    5   84 f   70.468   9.9408   38.414   9.1590   40.929   13.066   35.984   12.843   72.997   13.712   67.939   14.397 5.057480 19.88156 
1 1 1  -23    6    1 o  286.974   5.5137  554.966   20.519  545.575   25.444  572.431   34.699  283.592   6.6209  290.355   8.8187 -6.763245 11.02744 
1 1 1  -23    6    2 o  219.741   6.1115  327.336   18.021  331.244   27.550  324.413   23.825  220.857   9.2051  218.626   8.0418 2.231415 12.22310 
1 1 1  -23    6    3 o  540.551   8.2555  2020.48   57.974  2115.04   73.298  1862.49   94.746  558.025   9.6929  523.077   13.366 34.94800 16.51098 
1 1 1  -23    6    4 o  668.637   9.7422  3051.86   83.756  3069.34  103.438  3018.57  142.727  671.941   11.360  665.333   15.830 6.608398 19.48430 
1 1 1  -23    6    5 o  461.343   7.2964  1424.30   43.065  1382.25   52.457  1511.21   75.418  451.248   8.5785  471.439   11.805 -20.19098 14.59274 
1 1 1  -23    6    6 o  238.723   5.2418  385.201   16.350  381.223   20.507  392.144   27.089  237.079   6.3829  240.366   8.3165 -3.287140 10.48355 
1 1 1  -23    6    7 o  587.350   8.3137  2361.12   58.384  2379.14   68.232  2311.86  112.814  592.036   8.5047  582.663   14.288 9.373169 16.62735 
1 1 1  -23    6    8 o  659.289   9.2065  2951.22   82.253  2951.22   82.253   0.0000   0.0000  659.289   9.2065  ?   ?       ?      ? 
1 1 1  -23    6    9 o  478.530   7.1681  1580.89   41.232  1611.88   48.485  1499.92   78.371  487.424   7.3403  469.636   12.314 17.78812 14.33614 
1 1 1  -23    6   10 o  337.982   5.7986  779.693   23.727  785.222   27.926  765.342   44.992  340.273   6.0561  335.691   9.8903 4.582245 11.59723 
1 1 1  -23    6   11 o  644.282   8.9162  2805.33   67.785  2786.87   78.379  2860.10  135.014  640.703   9.0273  647.860   15.379 -7.157654 17.83231 
1 1 1  -23    6   12 o  642.912   8.9033  2799.24   67.669  2786.67   78.361  2836.12  134.197  640.680   9.0256  645.145   15.350 -4.465332 17.80666 
1 1 1  -23    6   13 o  341.215   5.8152  785.169   23.993  779.177   28.114  801.233   46.032  338.958   6.1207  343.472   9.8897 -4.514252 11.63050 
1 1 1  -23    6   14 o  481.224   8.7700  1573.05   57.151  1496.72   79.394  1655.15   82.335  469.110   12.489  493.339   12.316 -24.22821 17.53996 
1 1 1  -23    6   15 o  675.695   9.8805  3099.14   85.696  3079.94  105.327  3136.73  147.398  673.116   11.547  678.274   16.036 -5.158569 19.76094 
1 1 1  -23    6   16 o  592.928   8.3685  2383.86   58.884  2376.99   68.352  2403.62  115.963  591.766   8.5236  594.090   14.404 -2.323853 16.73704 
1 1 1  -23    6   17 o  245.227   5.4441  404.865   17.462  396.164   21.877  420.142   28.988  241.669   6.6800  248.784   8.5983 -7.115494 10.88821 
1 1 1  -23    6   18 o  469.100   7.0849  1503.65   39.881  1514.03   46.692  1475.65   76.685  472.389   7.2939  465.810   12.148 6.579102 14.16977 
1 1 1  -23    6   19 o  665.081   9.8783  2993.86   83.287  3063.55  147.223  2961.06  101.003  670.167   16.211  659.996   11.293 10.17151 19.75668 
1 1 1  -23    6   20 f  540.687   6.8465  1985.53   50.161  1953.57   70.681  2017.97   71.200  536.297   9.7255  545.076   9.6391 -8.779358 13.69298 
1 1 1  -23    6   21 o  231.501   4.6158  363.308   14.470  369.293   20.930  357.828   20.027  233.323   6.6195  229.680   6.4346 3.642868 9.231531 
1 1 1  -23    6   22 o  283.039   4.8384  543.692   18.550  534.606   26.478  552.450   25.996  280.709   6.9606  285.368   6.7224 -4.658783 9.676825 
1 1 1  -23    6   23 o  198.445   4.5296  266.300   12.160  281.677   17.846  252.972   16.615  203.774   6.4625  193.116   6.3487 10.65807 9.059247 
1 1 1  -23    6   24 o  139.174   5.7124  134.642   9.9994  122.763   17.406  140.494   12.217  134.431   9.5545  143.917   6.2640 -9.486160 11.42480 
1 1 1  -23    6   25 o  250.762   6.7325  427.660   22.848  450.871   32.202  404.133   32.421  257.642   9.2234  243.883   9.8100 13.75842 13.46501 
1 1 1  -23    6   26 o  412.453   8.1894  1157.46   45.764  1175.94   64.483  1138.71   64.962  415.789   11.444  409.116   11.717 6.673157 16.37881 
1 1 1  -23    6   27 o  451.431   6.1135  1383.85   37.388  1388.55   53.578  1379.39   52.198  452.167   8.7439  450.696   8.5464 1.471161 12.22691 
1 1 1  -23    6   28 o  327.319   5.1440  727.284   22.811  709.824   32.298  744.661   32.222  323.392   7.3700  331.247   7.1782 -7.855194 10.28804 
1 1 1  -23    6   29 o  388.499   5.5936  1024.39   29.441  1039.11   42.219  1010.45   41.075  391.210   7.9638  385.787   7.8569 5.423218 11.18715 
1 1 1  -23    6   30 o  437.765   5.9933  1301.61   35.552  1299.74   50.552  1303.44   50.009  437.448   8.5276  438.083   8.4238 -0.6349182 11.98667 
1 1 1  -23    6   31 o  422.333   5.8733  1211.51   33.611  1199.39   47.666  1223.50   47.402  420.224   8.3704  424.442   8.2413 -4.218079 11.74659 
1 1 1  -23    6   32 o  369.707   5.4635  927.771   27.365  940.986   39.250  915.271   38.172  372.263   7.7805  367.152   7.6722 5.110931 10.92697 
1 1 1  -23    6   33 o  495.332   6.4854  1667.46   43.529  1674.78   62.037  1660.37   61.092  496.394   9.2223  494.271   9.1208 2.123627 12.97077 
1 1 1  -23    6   34 o  387.676   5.6194  1020.86   29.518  1002.56   41.756  1039.14   41.734  384.194   8.0203  391.157   7.8732 -6.962158 11.23888 
1 1 1  -23    6   35 o  399.075   5.7213  1081.64   30.933  1091.10   44.316  1072.65   43.197  400.767   8.1599  397.382   8.0217 3.385223 11.44254 
1 1 1  -23    6   36 o  380.547   6.9266  990.973   33.487  967.755   58.269  1002.42   40.920  376.938   11.407  384.157   7.8603 -7.219147 13.85328 
1 1 1  -23    6   37 o  374.740   5.5532  953.799   28.195  961.172   40.341  946.758   39.421  376.148   7.9142  373.331   7.7920 2.816223 11.10635 
1 1 1  -23    6   38 o  235.733   4.7816  377.062   15.267  383.347   22.008  371.232   21.197  237.620   6.8346  233.845   6.6889 3.774841 9.563113 
1 1 1  -23    6   39 o  296.322   5.0582  595.556   20.298  617.000   29.377  575.968   28.077  301.416   7.1922  291.229   7.1143 10.18771 10.11640 
1 1 1  -23    6   40 o  187.942   4.7661  239.794   12.130  240.843   17.502  238.825   16.828  188.330   6.8577  187.554   6.6209 0.7766113 9.532270 
1 1 1  -23    6   41 o  315.491   5.1923  675.594   22.187  692.798   32.017  659.700   30.774  319.346   7.3985  311.636   7.2870 7.709656 10.38452 
1 1 1  -23    6   42 o  373.338   6.9274  945.960   32.862  940.516   39.988  957.285   57.676  371.991   7.9326  374.684   11.359 -2.692627 13.85486 
1 1 1  -23    6   43 o  296.501   6.1184  600.745   23.523  607.773   29.378  588.189   39.268  299.097   7.2481  293.904   9.8593 5.192780 12.23682 
1 1 1  -23    6   44 o  230.541   5.7814  366.107   17.394  380.094   22.066  343.153   28.268  236.551   6.8837  224.532   9.2905 12.01950 11.56281 
1 1 1  -23    6   45 o  320.278   5.2481  695.923   22.758  728.673   33.021  666.295   31.408  327.440   7.4418  313.116   7.4021 14.32373 10.49625 
1 1 1  -23    6   46 o  230.481   4.8533  360.938   15.150  359.714   21.779  362.085   21.088  230.092   6.9847  230.871   6.7403 -0.7792969 9.706613 
1 1 1  -23    6   47 o  265.659   4.9978  479.730   17.985  464.393   25.445  495.042   25.424  261.402   7.1831  269.916   6.9509 -8.514160 9.995555 
1 1 1  -23    6   48 o  460.165   6.2904  1441.18   39.218  1465.50   56.171  1418.05   54.781  463.942   8.9343  456.388   8.8575 7.553894 12.58083 
1 1 1  -23    6   49 o  430.993   6.0611  1264.37   35.398  1270.55   50.426  1258.37   49.701  432.022   8.6133  429.966   8.5300 2.056091 12.12229 
1 1 1  -23    6   50 o  110.914   5.6891   83.823   8.5355   81.338   12.334   86.107   11.824  109.318   8.3261  112.510   7.7551 -3.192543 11.37827 
1 1 1  -23    6   51 o  220.797   6.0445  334.332   16.873  325.266   29.600  338.696   20.536  218.364   10.003  223.231   6.7886 -4.866837 12.08905 
1 1 1  -23    6   52 o  186.393   6.8474  236.174   17.296   0.0000   0.0000  236.174   17.296  ?   ?   186.393   6.8474      ?      ? 
1 1 1  -23    6   53 o  248.784   5.0349  420.888   16.960  421.418   24.494  420.399   23.507  248.917   7.2615  248.652   6.9764 0.2645721 10.06972 
1 1 1  -23    6   54 o  271.764   5.1089  502.253   18.805  505.949   27.079  498.811   26.135  272.715   7.3273  270.814   7.1213 1.900818 10.21775 
1 1 1  -23    6   55 o  167.918   5.0733  191.936   11.532  188.710   16.618  194.931   16.016  166.539   7.3635  169.297   6.9810 -2.758224 10.14669 
1 1 1  -23    6   56 o  216.636   6.9688  319.220   20.458   0.0000   0.0000  319.220   20.458  ?   ?   216.636   6.9688      ?      ? 
1 1 1  -23    6   57 f  208.989   5.1256  297.266   14.514  292.259   20.586  302.213   20.465  207.229   7.3306  210.749   7.1658 -3.519913 10.25115 
1 1 1  -23    6   58 o  120.237   7.2873   99.586   11.012  100.883   13.338   96.808   19.517  121.683   8.0887  118.792   12.124 2.891571 14.57468 
1 1 1  -23    6   59 o  152.817   5.2158  159.707   10.752  145.990   15.466  172.535   14.956  146.396   7.7961  159.238   6.9310 -12.84218 10.43159 
1 1 1  -23    6   60 o  156.573   5.1683  166.564   10.952  173.709   15.997  160.262   15.024  159.718   7.3912  153.428   7.2260 6.289764 10.33660 
1 1 1  -23    6   61 o  193.437   5.0620  255.151   13.249  242.852   18.923  266.979   18.557  188.825   7.3951  198.048   6.9143 -9.222717 10.12401 
1 1 1  -23    6   62 o  371.858   5.7422  943.197   28.934  939.534   41.131  946.785   40.709  371.126   8.1783  372.590   8.0626 -1.464417 11.48434 
1 1 1  -23    6   63 o  240.251   5.1674  392.887   16.799  364.315   23.370  423.436   24.166  231.194   7.4595  249.307   7.1529 -18.11346 10.33474 
1 1 1  -23    6   64 o  100.840   7.6366   73.469   9.8686   86.555   12.870   54.795   15.374  112.569   8.4366   89.110   12.732 23.45868 15.27329 
1 1 1  -23    6   65 o  145.375   5.3891  144.534   10.587  132.882   15.035  155.994   14.910  139.505   7.9529  151.245   7.2748 -11.74023 10.77829 
1 1 1  -23    6   66 o  110.382   5.9736   82.870   8.9083   92.133   13.131   74.971   12.125  116.077   8.3479  104.687   8.5470 11.39024 11.94728 
1 1 1  -23    6   67 o  146.979   6.4050  147.923   11.982  148.580   20.905  147.602   14.622  146.929   10.499  147.029   7.3387 -0.1003113 12.80995 
1 1 1  -23    6   68 o  106.328   6.1341   77.756   8.8054   73.551   12.789   81.547   12.142  103.521   9.1161  109.135   8.2100 -5.613663 12.26814 
1 1 1  -23    6   69 o  157.933   5.3175  170.474   11.372  174.241   16.474  167.044   15.717  159.579   7.6182  156.287   7.4208 3.291382 10.63509 
1 1 1  -23    6   70 f  186.636   6.5334  242.327   15.283  232.733   27.108  246.797   18.503  183.327   10.912  189.946   7.1885 -6.618561 13.06678 
1 1 1  -23    6   71 f  172.262   5.2912  203.636   12.332  195.900   17.717  210.906   17.176  169.018   7.7352  175.506   7.2217 -6.488434 10.58239 
1 1 1  -23    6   72 o  217.672   6.4257  330.311   17.779  337.196   21.810  316.673   30.695  221.796   7.2563  213.548   10.607 8.247147 12.85142 
1 1 1  -23    6   73 o   34.160   9.5330   4.8249   6.5829   2.3200   9.4186   7.2172   9.2044   31.934   13.251   36.386   13.709 -4.452662 19.06594 
1 1 1  -23    6   74 o   85.352   8.0804   51.688   8.8952   48.906   14.829   53.251   11.118   83.067   13.173   87.638   9.3613 -4.571701 16.16082 
1 1 1  -23    6   75 o  119.102   8.2613   98.732   13.250   86.417   17.701  114.429   19.984  110.711   11.798  127.493   11.567 -16.78197 16.52257 
1 1 1  -23    6   76 o  183.884   6.3419  222.766   14.725  203.316   17.540  269.215   27.105  171.672   7.5394  196.096   10.200 -24.42413 12.68388 
1 1 1  -23    6   77 o  114.993   5.8368   91.827   9.0801   97.891   12.845   85.769   12.838  118.881   7.9732  111.104   8.5264 7.776985 11.67359 
1 1 1  -23    6   78 o  151.269   5.2812  158.455   10.810  148.055   15.236  168.994   15.339  146.173   7.6918  156.366   7.2388 -10.19299 10.56238 
1 1 1  -23    6   79 o  150.814   6.2583  159.290   12.267  159.636   15.348  158.679   20.409  151.733   7.4645  149.896   10.047 1.836884 12.51661 
1 1 1  -23    6   80 o   83.261   9.2220   51.003   10.132   57.748   14.692   44.886   13.991   89.360   12.133   77.161   13.892 12.19930 18.44391 
1 1 1  -23    6   81 o  105.947   7.8944   80.701   11.317   86.837   16.253   74.926   15.769  109.996   10.903  101.898   11.419 8.097458 15.78889 
1 1 1  -23    6   82 o   61.190   10.582   29.119   9.0222   41.378   13.195   18.355   12.364   73.605   13.734   48.775   16.103 24.83067 21.16464 
1 1 1  -23    6   83 o   92.641   8.2312   62.677   10.309   68.455   14.807   57.241   14.363   96.997   11.265   88.286   12.005 8.710892 16.46248 
1 1 1  -23    7    1 o  250.515   4.5101  425.685   15.309  418.398   21.466  433.228   21.840  248.333   6.3787  252.696   6.3778 -4.362793 9.020184 
1 1 1  -23    7    2 o  133.182   4.7791  120.112   8.5028  118.923   11.101  121.800   13.227  132.402   6.1868  133.963   7.2858 -1.561066 9.558240 
1 1 1  -23    7    3 o  124.092   5.1260  104.564   8.6126  106.039   11.985  102.988   12.384  125.003   7.0754  123.182   7.4190 1.821098 10.25197 
1 1 1  -23    7    4 o  317.328   5.5238  688.916   21.341  695.901   25.226  671.333   40.023  320.312   5.8115  314.345   9.3954 5.967072 11.04753 
1 1 1  -23    7    5 o  376.591   6.0815  973.260   27.747  986.170   32.726  940.247   52.332  381.273   6.3340  371.910   10.384 9.363495 12.16297 
1 1 1  -23    7    6 o  374.003   5.9753  917.800   26.626  884.744   30.736  1017.22   53.302  361.141   6.2804  386.865   10.167 -25.72440 11.95057 
1 1 1  -23    7    7 o  477.641   7.1308  1578.21   41.120  1613.24   48.514  1488.85   77.492  487.558   7.3427  467.723   12.226 19.83490 14.26151 
1 1 1  -23    7    8 o  558.803   8.1315  2119.90   61.576  2119.90   61.576   0.0000   0.0000  558.803   8.1315  ?   ?       ?      ? 
1 1 1  -23    7    9 o  388.940   7.9129  1026.86   41.706  1026.86   41.706   0.0000   0.0000  388.940   7.9129  ?   ?       ?      ? 
1 1 1  -23    7   10 o  393.371   7.6454  1051.65   40.743  1067.36   58.508  1036.85   56.769  396.212   10.897  390.531   10.727 5.681183 15.29083 
1 1 1  -23    7   11 o  416.211   6.5049  1171.56   32.509  1165.70   37.962  1187.66   62.957  414.504   6.7583  417.918   11.117 -3.413147 13.00978 
1 1 1  -23    7   12 o  414.946   6.5672  1199.16   33.117  1239.26   39.352  1101.81   61.312  427.379   6.7947  402.513   11.240 24.86667 13.13447 
1 1 1  -23    7   13 o  393.972   6.3944  1084.57   30.713  1127.28   36.630  983.471   56.358  407.625   6.6312  380.319   10.935 27.30609 12.78870 
1 1 1  -23    7   14 o  383.668   6.2274  1003.59   28.903  1008.46   33.984  990.864   54.951  385.554   6.5044  381.781   10.621 3.772522 12.45474 
1 1 1  -23    7   15 o  558.602   8.4872  2117.90   61.013  2106.29   75.209  2140.23  104.348  556.735   9.9687  560.468   13.739 -3.732788 16.97442 
1 1 1  -23    7   16 o  484.760   7.6765  1602.61   48.166  1614.26   59.955  1581.40   80.889  487.507   9.0753  482.014   12.384 5.492249 15.35293 
1 1 1  -23    7   17 o  356.966   6.3576  861.182   29.484  850.593   36.688  880.496   49.547  354.001   7.6477  359.930   10.158 -5.928741 12.71512 
1 1 1  -23    7   18 o  392.604   6.7346  1050.17   34.406  1057.85   43.110  1036.70   57.105  394.739   8.0591  390.468   10.792 4.270599 13.46916 
1 1 1  -23    7   19 o  344.042   7.4550  801.837   34.547  830.143   52.169  779.730   46.104  349.376   11.019  338.708   10.045 10.66852 14.90992 
1 1 1  -23    7   20 o  120.099   5.5301   97.393   8.9206   94.189   11.770  101.717   13.674  117.803   7.3728  122.395   8.2445 -4.591362 11.06028 
1 1 1  -23    7   21 o  142.888   4.9675  138.115   9.0229  137.294   10.981  139.821   15.830  142.274   5.6957  143.501   8.1403 -1.227081 9.935074 
1 1 1  -23    7   22 o  245.262   4.6450  408.281   15.428  403.992   22.154  412.320   21.498  244.004   6.7000  246.520   6.4352 -2.515762 9.289903 
1 1 1  -23    7   23 o  418.219   5.7851  1187.45   32.779  1199.61   46.942  1175.88   45.793  420.302   8.2417  416.137   8.1205 4.164856 11.57014 
1 1 1  -23    7   24 o  345.908   5.2467  812.254   24.590  810.165   35.086  814.271   34.472  345.464   7.4947  346.352   7.3445 -0.8872681 10.49345 
1 1 1  -23    7   25 f  252.858   5.9529  439.578   19.186  450.475   23.600  418.338   32.948  257.644   6.7593  248.071   9.8010 9.573059 11.90577 
1 1 1  -23    7   26 o  298.362   4.9572  604.342   20.038  595.308   28.507  613.165   28.173  296.151   7.1032  300.573   6.9166 -4.422516 9.914386 
1 1 1  -23    7   27 f  420.369   5.8278  1200.27   33.196  1181.50   46.902  1219.12   46.990  417.068   8.2986  423.670   8.1846 -6.601288 11.65565 
1 1 1  -23    7   28 o  274.061   4.8462  510.033   17.984  486.469   25.417  533.660   25.451  267.708   7.0061  280.414   6.6976 -12.70605 9.692426 
1 1 1  -23    7   29 o  260.300   4.7941  460.097   16.901  452.163   24.182  467.674   23.631  258.096   6.9140  262.504   6.6430 -4.407806 9.588155 
1 1 1  -23    7   30 o  507.663   6.5957  1752.08   45.372  1753.22   64.528  1750.96   63.810  507.819   9.3769  507.508   9.2782 0.3103943 13.19136 
1 1 1  -23    7   31 o  387.166   5.6092  1018.30   29.425  1009.95   41.861  1026.45   41.371  385.588   8.0114  388.744   7.8532 -3.156433 11.21848 
1 1 1  -23    7   32 o  166.977   4.6825  188.908   10.574  194.356   15.542  184.214   14.427  169.207   6.7783  164.747   6.4621 4.460251 9.364988 
1 1 1  -23    7   33 o  172.654   4.6799  202.236   10.935  204.405   15.922  200.299   15.043  173.522   6.7713  171.785   6.4620 1.737015 9.359880 
1 1 1  -23    7   34 o  382.939   5.5788  996.069   28.945  1005.03   41.411  987.508   40.473  384.616   7.9452  381.262   7.8335 3.353607 11.15753 
1 1 1  -23    7   35 o  184.052   6.0112  236.926   13.683  213.556   24.462  247.568   16.506  177.128   10.191  190.977   6.3780 -13.84937 12.02239 
1 1 1  -23    7   36 o  244.095   5.9800  403.796   18.318  408.280   32.908  401.783   22.051  244.926   9.9147  243.264   6.6890 1.661850 11.96004 
1 1 1  -23    7   37 o  257.027   4.8641  448.086   16.928  460.852   24.561  436.534   23.363  260.503   6.9573  253.550   6.7996 6.953308 9.728284 
1 1 1  -23    7   38 o  209.652   4.7307  298.179   13.431  305.594   19.444  291.414   18.573  212.137   6.7638  207.167   6.6159 4.970078 9.461467 
1 1 1  -23    7   39 o  148.929   4.9357  151.190   9.9187  136.368   14.118  165.635   13.938  141.676   7.3537  156.182   6.5853 -14.50609 9.871342 
1 1 1  -23    7   40 o  211.344   5.6841  308.260   15.696  322.557   19.994  285.296   25.340  217.930   6.7703  204.759   9.1322 13.17046 11.36811 
1 1 1  -23    7   41 o  129.498   7.5053  113.965   13.171  113.965   13.171   0.0000   0.0000  129.498   7.5053  ?   ?       ?      ? 
1 1 1  -23    7   42 o  268.249   6.2551  490.074   21.304  490.872   25.951  488.424   37.306  268.785   7.1248  267.713   10.283 1.072449 12.51024 
1 1 1  -23    7   43 o  470.861   6.3509  1508.97   40.520  1481.06   57.053  1537.37   57.559  466.457   9.0258  475.264   8.9371 -8.806976 12.70182 
1 1 1  -23    7   44 o  188.338   4.8784  241.690   12.392  214.114   17.489  269.489   17.560  177.491   7.2714  199.186   6.5056 -21.69450 9.756805 
1 1 1  -23    7   45 o  226.107   4.8546  347.594   14.863  332.932   21.059  362.147   20.981  221.339   7.0211  230.876   6.7061 -9.536957 9.709130 
1 1 1  -23    7   46 o  246.499   4.9322  413.130   16.468  404.020   23.464  421.975   23.119  243.806   7.1018  249.192   6.8462 -5.386353 9.864373 
1 1 1  -23    7   47 o  297.460   5.1279  601.636   20.665  585.219   29.199  618.112   29.251  293.380   7.3443  301.539   7.1583 -8.158051 10.25576 
1 1 1  -23    7   48 o  338.401   5.3877  778.750   24.700  785.342   35.416  772.508   34.465  339.783   7.6916  337.020   7.5464 2.763123 10.77535 
1 1 1  -23    7   49 o  253.009   6.1415  438.269   19.702  429.414   34.435  442.579   24.023  250.865   10.129  255.154   6.9477 -4.288788 12.28307 
1 1 1  -23    7   50 o  229.764   6.0777  359.424   17.634  359.960   31.233  359.174   21.365  229.673   10.035  229.855   6.8591 -0.1825867 12.15536 
1 1 1  -23    7   51 o  356.367   6.8480  860.109   30.806  883.703   54.935  849.287   37.206  359.475   11.277  353.260   7.7721 6.214691 13.69598 
1 1 1  -23    7   52 o  412.842   7.3403  1162.08   38.498  1170.36   67.486  1158.08   46.873  413.354   12.048  412.331   8.3887 1.023163 14.68064 
1 1 1  -23    7   53 o  376.787   5.7175  966.327   29.185  986.666   41.902  947.164   40.673  380.626   8.1237  372.947   8.0477 7.679535 11.43504 
1 1 1  -23    7   54 o  182.083   5.0886  225.480   12.547  227.949   18.130  223.209   17.382  183.027   7.3097  181.138   7.0812 1.889053 10.17721 
1 1 1  -23    7   55 o  234.945   5.1295  373.522   16.283  413.348   24.033  339.723   22.140  246.465   7.1955  223.424   7.3125 23.04109 10.25902 
1 1 1  -23    7   56 o  238.642   5.0585  387.704   16.351  381.926   23.392  393.224   22.863  236.883   7.2870  240.401   7.0182 -3.517319 10.11709 
1 1 1  -23    7   57 o  232.997   6.2945  371.024   18.635  372.213   22.730  368.587   32.547  233.851   7.1726  232.144   10.346 1.706406 12.58903 
1 1 1  -23    7   58 o   92.022   6.5324   57.888   8.1353   56.274   11.706   59.396   11.314   90.758   9.5175   93.286   8.9502 -2.527786 13.06477 
1 1 1  -23    7   59 o   61.280   8.8613   26.099   7.2376   33.165   10.688   20.115   9.8359   69.537   11.342   53.023   13.618 16.51372 17.72258 
1 1 1  -23    7   60 o   91.415   6.5887   57.250   8.1339   51.891   11.515   62.586   11.491   87.097   9.7565   95.733   8.8574 -8.635582 13.17736 
1 1 1  -23    7   61 f  185.521   5.1214  234.464   12.872  236.102   18.441  232.907   17.976  186.143   7.3105  184.899   7.1744 1.244308 10.24284 
1 1 1  -23    7   62 o  230.089   5.9635  356.327   17.912  342.780   22.306  380.921   30.056  224.243   7.3405  235.935   9.4005 -11.69206 11.92700 
1 1 1  -23    7   63 o  149.374   5.4444  152.854   10.843  119.349   15.040  189.122   15.648  132.160   8.3977  166.589   6.9314 -34.42818 10.88882 
1 1 1  -23    7   64 o   51.412   9.7792   18.855   6.9571   20.941   10.244   17.069   9.4780   53.918   13.924   48.905   13.735 5.013149 19.55834 
1 1 1  -23    7   65 o  121.347   5.6849  100.822   9.3279   98.042   13.533  103.337   12.874  119.709   8.3425  122.984   7.7250 -3.274803 11.36980 
1 1 1  -23    7   66 o  101.697   7.6689   72.774   9.8088   67.253   17.099   75.481   11.975   98.409   12.822  104.984   8.4172 -6.575409 15.33790 
1 1 1  -23    7   67 o  154.952   5.3136  163.842   11.144  171.685   16.252  156.880   15.311  158.435   7.5697  151.470   7.4591 6.964539 10.62728 
1 1 1  -23    7   68 o  203.688   6.3023  285.151   16.122  284.998   28.797  285.220   19.458  203.109   10.463  204.268   7.0292 -1.159576 12.60453 
1 1 1  -23    7   69 o  126.881   7.2443  115.312   11.310  101.229   20.173  121.768   13.659  120.447   12.359  133.316   7.5605 -12.86858 14.48854 
1 1 1  -23    7   70 o   58.541   9.2308   24.694   7.1644   30.785   10.571   19.519   9.7437   65.357   12.388   51.725   13.688 13.63273 18.46162 
1 1 1  -23    7   71 o   89.945   8.2101   55.166   9.4467   52.522   11.475   60.726   16.640   87.091   9.7232   92.799   13.232 -5.708580 16.42012 
1 1 1  -23    7   72 o  149.872   5.3143  154.271   10.771  168.051   15.461  141.274   15.015  156.432   7.2932  143.311   7.7315 13.12177 10.62857 
1 1 1  -23    7   73 o  121.539   5.6900  101.259   9.3170  117.874   13.724   87.056   12.689  130.810   7.7423  112.268   8.3404 18.54134 11.38006 
1 1 1  -23    7   74 o   84.859   6.6735   50.264   7.6485   46.379   10.932   53.988   10.705   81.527   9.8952   88.191   8.9570 -6.664322 13.34702 
1 1 1  -23    7   75 o  152.973   5.2297  161.641   10.816  148.607   15.258  174.806   15.334  146.661   7.6770  159.285   7.1039 -12.62408 10.45948 
1 1 1  -23    7   76 o   49.961   9.5378   18.622   6.7204   14.252   9.4945   23.009   9.5137   44.322   14.071   55.600   12.880 -11.27798 19.07553 
1 1 1  -23    7   77 o  102.690   5.9421   73.438   8.2674   75.483   11.794   71.464   11.592  104.109   8.3596  101.271   8.4471 2.838432 11.88428 
1 1 1  -23    7   78 o  113.469   6.7598   92.300   9.9541   97.052   12.617   84.469   16.199  118.099   7.8838  108.840   10.983 9.258339 13.51960 
1 1 1  -23    7   79 o   53.265   11.236   21.835   8.7912   26.282   12.830   17.899   12.070   57.888   15.878   48.642   15.904 9.245975 22.47295 
1 1 1  -23    7   80 o   73.244   10.145   41.216   9.7054   40.289   13.896   42.099   13.561   72.214   14.699   74.273   13.987 -2.058601 20.29054 
1 1 1  -23    7   81 o   81.917   12.892   49.662   14.311   49.662   14.311   0.0000   0.0000   81.917   12.892  ?   ?       ?      ? 
1 1 1  -23    7   82 o   58.503   15.873   27.602   12.905   27.602   12.905   0.0000   0.0000   58.503   15.873  ?   ?       ?      ? 
1 1 1  -23    8    1 o  469.743   8.7234  1499.44   55.530  1499.44   55.530   0.0000   0.0000  469.743   8.7234  ?   ?       ?      ? 
1 1 1  -23    8    2 o  281.871   4.7913  537.738   18.263  589.080   26.554  491.645   25.160  294.612   6.6510  269.130   6.8986 25.48218 9.582626 
1 1 1  -23    8    3 o  322.691   6.0319  715.818   25.744  749.984   33.444  666.134   40.331  332.358   7.4257  313.024   9.5077 19.33392 12.06384 
1 1 1  -23    8    4 o  281.869   5.1412  522.705   17.707  502.193   20.738  577.908   34.020  272.087   5.6243  291.651   8.6078 -19.56473 10.28236 
1 1 1  -23    8    5 o  178.945   5.5758  217.016   13.479  222.821   19.968  212.157   18.270  181.126   8.1354  176.764   7.6272 4.361649 11.15159 
1 1 1  -23    8    6 o  157.833   4.8991  166.454   10.364  152.380   13.500  186.653   16.174  149.846   6.6483  165.820   7.1976 -15.97485 9.798261 
1 1 1  -23    8    7 o  208.377   4.7461  292.168   12.425  288.076   14.937  301.362   22.388  206.089   5.3484  210.665   7.8421 -4.575439 9.492291 
1 1 1  -23    8    8 o  309.726   5.8461  650.781   24.538  650.781   24.538   0.0000   0.0000  309.726   5.8461  ?   ?       ?      ? 
1 1 1  -23    8    9 o  322.000   5.9411  703.404   25.924  703.404   25.924   0.0000   0.0000  322.000   5.9411  ?   ?       ?      ? 
1 1 1  -23    8   10 o  298.592   5.5311  624.448   20.318  653.660   24.433  558.944   36.586  310.415   5.8082  286.769   9.4146 23.64557 11.06215 
1 1 1  -23    8   11 o  305.640   5.4034  609.960   19.983  582.421   23.230  688.338   39.189  293.009   5.8503  318.270   9.0863 -25.26086 10.80676 
1 1 1  -23    8   12 o  283.787   5.4267  562.727   18.956  587.029   22.778  507.978   34.188  294.174   5.7138  273.400   9.2277 20.77466 10.85349 
1 1 1  -23    8   13 o  317.273   5.5698  675.483   21.472  665.586   25.194  701.750   41.046  313.225   5.9356  321.320   9.4264 -8.094360 11.13950 
1 1 1  -23    8   14 o  311.565   5.6760  681.188   21.722  714.624   26.109  606.008   39.150  324.558   5.9364  298.571   9.6762 25.98764 11.35210 
1 1 1  -23    8   15 o  311.061   5.5716  658.789   21.176  661.096   25.047  653.009   39.651  312.167   5.9210  309.955   9.4401 2.211517 11.14327 
1 1 1  -23    8   16 o  195.286   4.8975  261.376   11.976  265.611   14.468  252.156   21.346  197.889   5.3953  192.682   8.1750 5.206512 9.794934 
1 1 1  -23    8   17 o  151.296   4.7782  153.367   9.2526  149.478   11.285  161.344   16.161  148.445   5.6101  154.146   7.7365 -5.701157 9.556457 
1 1 1  -23    8   18 o  203.615   5.3356  279.229   14.529  268.263   18.905  295.048   22.707  198.800   7.0174  208.431   8.0391 -9.630463 10.67110 
1 1 1  -23    8   19 o  274.481   5.7796  515.634   20.984  530.784   27.114  493.009   33.135  279.625   7.1554  269.337   9.0783 10.28769 11.55921 
1 1 1  -23    8   20 f  323.890   5.7007  708.948   22.437  704.497   26.380  720.586   42.658  322.233   6.0412  325.548   9.6694 -3.315369 11.40147 
1 1 1  -23    8   21 o  300.963   5.5210  609.218   20.249  601.753   23.818  628.683   38.461  297.817   5.9016  304.109   9.3327 -6.292847 11.04210 
1 1 1  -23    8   22 o  458.441   7.0073  1443.32   38.677  1460.25   45.431  1398.74   73.723  463.773   7.2287  453.108   12.007 10.66489 14.01469 
1 1 1  -23    8   23 o  587.307   8.3387  2329.72   57.925  2309.00   67.029  2390.85  115.118  582.950   8.4849  591.663   14.358 -8.713318 16.67740 
1 1 1  -23    8   24 o  434.907   8.4763  1285.20   49.956  1285.20   49.956   0.0000   0.0000  434.907   8.4763  ?   ?       ?      ? 
1 1 1  -23    8   25 o  196.574   5.8399  259.254   14.570  253.388   17.638  271.855   25.851  193.207   6.7368  199.941   9.5410 -6.734406 11.67974 
1 1 1  -23    8   26 o  414.445   5.7975  1163.85   32.514  1230.48   47.528  1105.23   44.578  425.559   8.2415  403.331   8.1560 22.22803 11.59498 
1 1 1  -23    8   27 o  334.790   5.2027  761.062   23.594  732.031   33.156  790.845   33.583  328.313   7.4523  341.267   7.2618 -12.95401 10.40531 
1 1 1  -23    8   28 o  141.384   4.7779  136.779   9.0678  116.670   12.942  156.169   12.709  131.073   7.2864  151.694   6.1822 -20.62070 9.555726 
1 1 1  -23    8   29 o  220.690   4.6247  330.905   13.818  321.115   19.772  340.251   19.319  217.486   6.7086  223.894   6.3674 -6.408173 9.249308 
1 1 1  -23    8   30 o  153.788   4.6959  160.268   9.7703  165.467   14.316  155.735   13.367  156.113   6.7671  151.464   6.5125 4.649261 9.391882 
1 1 1  -23    8   31 o  282.150   4.9325  539.780   18.843  560.091   27.355  521.441   25.993  287.188   7.0289  277.112   6.9219 10.07651 9.865016 
1 1 1  -23    8   32 o  279.644   4.9181  530.536   18.623  543.620   26.983  518.635   25.734  282.926   7.0379  276.362   6.8715 6.563171 9.836156 
1 1 1  -23    8   33 o  136.077   4.8707  126.369   8.9367  116.627   12.956  135.210   12.343  131.031   7.2966  141.123   6.4541 -10.09258 9.741454 
1 1 1  -23    8   34 o  304.688   6.3024  627.320   24.143  642.558   43.358  620.472   29.066  307.137   10.417  302.240   7.0965 4.896973 12.60471 
1 1 1  -23    8   35 o  365.909   7.7026  909.690   38.091  950.412   56.406  875.551   51.645  373.362   11.148  358.457   10.632 14.90518 15.40527 
1 1 1  -23    8   36 f  170.143   5.4807  194.647   12.317  187.743   15.624  205.982   20.019  166.252   6.9351  174.034   8.4885 -7.781250 10.96132 
1 1 1  -23    8   37 o  160.955   5.5849  177.640   11.868  183.317   15.295  169.051   18.813  164.280   6.8702  157.631   8.8071 6.648239 11.16981 
1 1 1  -23    8   38 o  178.694   4.7558  216.798   11.507  219.142   16.643  214.650   15.928  179.612   6.8378  177.776   6.6116 1.835556 9.511543 
1 1 1  -23    8   39 o   99.762   5.6367   68.531   7.5222   58.274   10.927   77.770   10.371   92.542   8.7132  106.982   7.1535 -14.43918 11.27347 
1 1 1  -23    8   40 o  129.911   6.6518  118.705   10.821  125.678   13.236  104.650   18.792  135.990   7.1821  123.832   11.198 12.15891 13.30355 
1 1 1  -23    8   41 o  164.693   6.2816  188.016   13.009  194.122   15.845  175.384   22.790  169.023   6.9175  160.364   10.487 8.658951 12.56313 
1 1 1  -23    8   42 o  226.219   4.8273  348.027   14.785  333.984   21.029  361.754   20.791  221.686   7.0001  230.752   6.6490 -9.065933 9.654547 
1 1 1  -23    8   43 o  181.954   4.8234  224.837   11.885  228.687   17.181  221.304   16.458  183.440   6.9117  180.469   6.7298 2.971252 9.646825 
1 1 1  -23    8   44 o  127.177   5.1749  109.970   8.9031  109.978   12.979  109.963   12.235  127.169   7.5317  127.186   7.0988 -0.1717377E-01 10.34988 
1 1 1  -23    8   45 o  243.801   4.9530  403.256   16.341  418.730   23.887  389.644   22.405  248.177   7.1026  239.425   6.9054 8.752655 9.906093 
1 1 1  -23    8   46 o  162.386   6.1238  182.165   12.472  172.657   22.049  186.638   15.125  159.061   10.229  165.710   6.7352 -6.649628 12.24763 
1 1 1  -23    8   47 o  224.933   6.1286  355.363   17.413  313.497   29.756  377.168   21.474  214.307   10.246  235.558   6.7273 -21.25089 12.25724 
1 1 1  -23    8   48 o  280.477   5.0836  533.937   19.302  561.381   28.066  509.308   26.588  287.298   7.2089  273.655   7.1696 13.64331 10.16716 
1 1 1  -23    8   49 o  211.306   4.9316  303.099   14.106  315.010   20.543  292.471   19.404  215.219   7.0437  207.392   6.9044 7.827194 9.863298 
1 1 1  -23    8   50 o  358.798   6.8555  879.983   31.234  874.525   54.622  882.635   38.073  357.516   11.274  360.080   7.8025 -2.564056 13.71098 
1 1 1  -23    8   51 o  180.756   6.1646  220.858   14.044  227.766   25.143  217.726   16.931  182.599   10.161  178.913   6.9834 3.686264 12.32925 
1 1 1  -23    8   52 o  216.777   5.0556  320.417   14.817  299.254   21.134  340.876   20.780  209.685   7.4377  223.868   6.8496 -14.18384 10.11123 
1 1 1  -23    8   53 o   97.353   6.4514   65.126   8.4373   60.344   12.495   69.133   11.439   93.992   9.8099  100.714   8.3813 -6.721687 12.90275 
1 1 1  -23    8   54 o  205.186   5.0086  286.885   13.908  274.221   19.869  299.050   19.474  200.713   7.3050  209.660   6.8543 -8.947357 10.01718 
1 1 1  -23    8   55 f  226.098   5.0374  347.920   15.427  348.859   22.164  347.036   21.487  226.380   7.2248  225.817   7.0217 0.5631866 10.07484 
1 1 1  -23    8   56 o  134.883   6.9644  120.347   11.965  113.175   14.426  136.152   21.415  128.833   8.2630  140.934   11.213 -12.10110 13.92872 
1 1 1  -23    8   57 o  186.255   5.0849  236.412   12.824  229.430   18.311  243.133   17.967  183.531   7.3624  188.978   7.0158 -5.446594 10.16989 
1 1 1  -23    8   58 o  155.886   5.2817  165.870   11.137  159.201   16.028  172.095   15.485  152.819   7.7398  158.953   7.1890 -6.134125 10.56342 
1 1 1  -23    8   59 o   83.381   7.8785   48.883   8.0874   73.572   12.003   28.357   10.945  103.798   8.5334   62.965   13.246 40.83318 15.75709 
1 1 1  -23    8   60 o   90.094   7.6769   55.614   9.2279   55.047   12.015   56.429   14.410   89.636   9.8912   90.551   11.743 -0.9141769 15.35375 
1 1 1  -23    8   61 o  158.955   5.2489  172.459   11.295  169.472   16.264  175.242   15.697  157.597   7.6156  160.314   7.2253 -2.716263 10.49778 
1 1 1  -23    8   62 f   83.365   6.9751   47.511   7.8646   50.648   11.565   44.812   10.727   85.908   9.9341   80.821   9.7939 5.086403 13.95021 
1 1 1  -23    8   63 o  158.622   5.2031  172.141   11.160  162.096   15.965  181.738   15.606  154.039   7.6483  163.205   7.0564 -9.165359 10.40620 
1 1 1  -23    8   64 o   75.583   7.5690   38.924   7.6793   47.316   11.498   32.166   10.318   82.909   10.234   68.258   11.155 14.65106 15.13803 
1 1 1  -23    8   65 o   90.531   8.3505   58.186   9.2660   53.422   16.848   60.252   11.094   87.349   14.234   93.713   8.7363 -6.363586 16.70092 
1 1 1  -23    8   66 o  135.987   7.1216  132.385   11.727  116.359   21.498  139.173   13.991  129.320   12.267  142.653   7.2377 -13.33232 14.24310 
1 1 1  -23    8   67 o   89.145   8.4640   53.281   9.3497   60.525   17.594   50.430   11.037   92.768   13.995   85.523   9.5235 7.244812 16.92808 
1 1 1  -23    8   68 f  127.332   5.6516  111.415   9.7219  110.283   14.278  112.394   13.274  126.657   8.3189  128.006   7.6523 -1.348740 11.30323 
1 1 1  -23    8   69 o   48.817   9.8672   17.312   6.8498   17.287   9.9660   17.334   9.4303   48.822   14.206   48.813   13.698 0.8888245E-02 19.73440 
1 1 1  -23    8   70 o  102.866   7.6050   69.885   9.9799   62.997   11.983   85.482   18.031   95.403   9.2685  110.329   12.060 -14.92657 15.21008 
1 1 1  -23    8   71 o  107.075   5.9643   79.035   8.6173   89.536   12.482   69.471   11.912  113.941   8.0837  100.209   8.7718 13.73202 11.92851 
1 1 1  -23    8   72 o   35.028   9.4842   6.4173   6.2907   6.1056   9.1527   6.6964   8.6605   34.988   13.547   35.069   13.277 -0.8029556E-01 18.96835 
1 1 1  -23    8   73 o  112.937   5.7315   88.341   8.7618   86.577   12.616   89.984   12.178  111.782   8.3285  114.093   7.8764 -2.311203 11.46304 
1 1 1  -23    8   74 o  100.925   6.1398   71.342   8.3355   63.603   12.029   78.492   11.561   95.429   9.3018  106.421   8.0167 -10.99186 12.27969 
1 1 1  -23    8   75 o  133.177   5.3963  123.011   9.7277  119.225   13.947  126.599   13.575  131.094   7.8507  135.261   7.4059 -4.167068 10.79264 
1 1 1  -23    8   76 o   72.278   8.5331   35.935   7.9669   28.401   9.9960   49.055   13.191   61.850   12.359   82.706   11.770 -20.85646 17.06622 
1 1 1  -23    8   77 o   93.060   7.0926   60.245   8.6685   56.934   10.866   66.041   14.376   90.044   8.9052   96.077   11.042 -6.032883 14.18521 
1 1 1  -23    8   78 o   83.498   9.0043   50.902   10.173   54.536   14.843   47.682   13.971   86.323   12.688   80.673   12.780 5.649826 18.00869 
1 1 1  -23    8   79 o  114.941   7.7565   95.415   12.045   93.812   17.624   96.821   16.500  113.731   11.435  116.152   10.483 -2.420593 15.51296 
1 1 1  -23    8   80 o   60.661   11.012   29.141   9.0722   32.736   13.589   26.250   12.186   63.932   15.781   57.391   15.364 6.540741 22.02419 
1 1 1  -23    8   81 o   75.952   9.6451   44.480   9.5989   39.417   14.072   48.886   13.127   70.434   15.190   81.470   11.890 -11.03577 19.29023 
1 1 1  -23    9    1 o   83.644   5.3999   47.462   5.9153   47.785   9.7185   47.272   7.4555   83.842   8.5537   83.446   6.5931 0.3957520 10.79976 
1 1 1  -23    9    2 o  245.560   5.9256  406.799   18.052  417.395   33.219  402.358   21.504  247.662   9.8979  243.458   6.5180 4.204788 11.85127 
1 1 1  -23    9    3 o  249.575   6.5152  427.051   21.708  401.554   33.133  446.227   28.734  242.905   10.066  256.244   8.2750 -13.33842 13.03049 
1 1 1  -23    9    4 o  138.569   5.1891  130.466   9.7390  132.898   13.640  127.935   13.910  139.894   7.1949  137.244   7.4793 2.649323 10.37819 
1 1 1  -23    9    5 o  193.738   6.8932  254.838   18.097  254.838   18.097   0.0000   0.0000  193.738   6.8932  ?   ?       ?      ? 
1 1 1  -23    9    6 o  316.694   5.4699  664.655   21.062  644.644   24.636  719.003   40.599  308.221   5.8983  325.167   9.2136 -16.94571 10.93986 
1 1 1  -23    9    7 o  303.962   5.5593  649.434   20.815  683.649   25.095  573.999   37.262  317.415   5.8342  290.508   9.4651 26.90714 11.11869 
1 1 1  -23    9    8 o  286.398   5.7085  556.529   22.155  556.529   22.155   0.0000   0.0000  286.398   5.7085  ?   ?       ?      ? 
1 1 1  -23    9    9 o  181.167   5.0029  235.441   11.312  261.098   14.021  187.605   19.145  196.188   5.2738  166.146   8.5032 30.04228 10.00589 
1 1 1  -23    9   10 o  258.858   5.1473  457.439   16.490  461.009   19.699  449.080   30.142  260.673   5.5764  257.044   8.6534 3.629211 10.29456 
1 1 1  -23    9   11 o  122.607   4.9162  104.115   7.7894  109.485   9.7983   94.892   12.840  127.030   5.6919  118.184   8.0175 8.846489 9.832486 
1 1 1  -23    9   12 o  123.617   4.8444  103.978   7.7963  104.601   9.7704  102.887   12.935  124.161   5.8069  123.072   7.7559 1.088882 9.688819 
1 1 1  -23    9   13 o  255.654   5.1977  452.363   16.460  465.644   19.791  422.562   29.646  261.980   5.5747  249.328   8.7743 12.65211 10.39546 
1 1 1  -23    9   14 o  197.565   4.8528  263.780   12.079  261.731   14.578  268.269   21.576  196.417   5.4769  198.713   8.0126 -2.296158 9.705547 
1 1 1  -23    9   15 o  279.974   5.4817  554.326   18.966  590.765   23.011  477.118   33.495  295.072   5.7547  264.876   9.3317 30.19629 10.96344 
1 1 1  -23    9   16 o  318.352   5.6022  677.055   21.711  662.916   25.469  714.643   41.528  312.551   6.0133  324.152   9.4539 -11.60110 11.20431 
1 1 1  -23    9   17 o  315.869   6.0880  681.476   25.393  693.415   32.604  663.068   40.485  319.519   7.5299  312.218   9.5686 7.300903 12.17609 
1 1 1  -23    9   18 o  198.592   8.1403  267.984   21.907   0.0000   0.0000  267.984   21.907  ?   ?   198.592   8.1403      ?      ? 
1 1 1  -23    9   19 o  132.604   5.1150  124.014   8.6046  134.340   10.724  105.351   14.417  140.711   5.6240  124.497   8.5454 16.21429 10.22999 
1 1 1  -23    9   20 f  242.842   6.9592  400.423   22.902  400.423   22.902   0.0000   0.0000  242.842   6.9592  ?   ?       ?      ? 
1 1 1  -23    9   21 o  231.626   5.1671  372.088   14.854  384.431   17.904  344.836   26.604  238.033   5.5506  225.218   8.7170 12.81540 10.33416 
1 1 1  -23    9   22 f   95.382   5.6388   63.292   6.9670   67.443   8.8274   56.435   11.345   99.673   6.5354   91.092   9.1909 8.581665 11.27758 
1 1 1  -23    9   23 o  114.529   6.1534   89.029   9.5503   89.029   9.5503   0.0000   0.0000  114.529   6.1534  ?   ?       ?      ? 
1 1 1  -23    9   24 o  103.223   6.4936   72.334   9.0833   72.334   9.0833   0.0000   0.0000  103.223   6.4936  ?   ?       ?      ? 
1 1 1  -23    9   25 o   99.641   5.4175   66.382   7.0720   63.466   8.8396   71.568   11.787   96.679   6.7471  102.602   8.4778 -5.922714 10.83495 
1 1 1  -23    9   26 o  162.932   5.1759  188.301   10.564  203.984   13.022  158.111   18.067  173.382   5.5421  152.482   8.7433 20.90076 10.35183 
1 1 1  -23    9   27 o  171.469   5.3240  199.965   12.104  200.760   15.599  198.762   19.187  171.946   6.6944  170.991   8.2804 0.9554901 10.64803 
1 1 1  -23    9   28 o  258.153   4.7703  452.709   16.678  447.720   23.922  457.429   23.265  256.757   6.8752  259.548   6.6146 -2.791412 9.540558 
1 1 1  -23    9   29 o  196.419   6.6574  261.989   17.720  261.989   17.720   0.0000   0.0000  196.419   6.6574  ?   ?       ?      ? 
1 1 1  -23    9   30 o  172.028   5.2698  194.732   11.968  175.046   15.022  228.944   19.802  160.535   6.9050  183.520   7.9626 -22.98506 10.53955 
1 1 1  -23    9   31 o  187.638   5.3614  238.039   13.294  233.831   16.941  244.783   21.447  185.549   6.7376  189.726   8.3417 -4.176270 10.72281 
1 1 1  -23    9   32 o  155.236   5.4753  165.563   11.249  172.798   14.615  155.044   17.623  159.501   6.7615  150.971   8.6138 8.530380 10.95054 
1 1 1  -23    9   33 o  232.480   5.9033  361.471   17.093  383.120   31.475  352.417   20.356  237.168   9.7933  227.791   6.5944 9.377014 11.80655 
1 1 1  -23    9   34 o  202.591   5.8316  269.038   14.636  304.087   27.591  255.314   17.265  211.300   9.6358  193.882   6.5712 17.41765 11.66322 
1 1 1  -23    9   35 o  220.030   4.7221  329.194   14.064  320.320   20.208  337.530   19.585  217.135   6.8676  222.925   6.4830 -5.789581 9.444174 
1 1 1  -23    9   36 o  155.100   4.7937  163.327   10.050  164.914   14.775  161.961   13.711  155.787   6.9988  154.413   6.5526 1.374084 9.587445 
1 1 1  -23    9   37 o   61.031   8.2005   27.933   6.4191   16.172   9.6602   37.232   8.5897   48.098   13.984   73.965   8.5699 -25.86672 16.40104 
1 1 1  -23    9   38 o  364.667   5.5193  901.032   27.222  963.309   40.019  847.401   37.138  376.344   7.8470  352.991   7.7638 23.35272 11.03866 
1 1 1  -23    9   39 o  357.033   6.8053  865.204   30.877  858.568   37.562  879.034   54.224  355.286   7.8016  358.780   11.153 -3.493835 13.61060 
1 1 1  -23    9   40 o  265.019   6.1670  471.709   20.739  460.088   25.092  496.759   36.840  260.156   7.1173  269.883   10.073 -9.727020 12.33393 
1 1 1  -23    9   41 o  128.597   5.1960  112.660   9.0073  110.308   13.366  114.618   12.191  127.339   7.7458  129.855   6.9280 -2.515625 10.39205 
1 1 1  -23    9   42 o  319.473   6.3962  688.542   25.885  714.697   45.974  676.402   31.321  323.566   10.485  315.379   7.3287 8.187500 12.79242 
1 1 1  -23    9   43 o  259.228   6.0452  448.888   19.793  481.730   35.622  434.220   23.807  265.732   9.8922  252.723   6.9514 13.00824 12.09040 
1 1 1  -23    9   44 o  270.590   5.0393  496.523   18.450  523.835   27.018  472.660   25.255  277.534   7.1839  263.645   7.0689 13.88925 10.07852 
1 1 1  -23    9   45 o  270.755   5.0452  498.855   18.501  485.735   26.363  511.586   25.970  267.224   7.2801  274.285   6.9869 -7.061127 10.09042 
1 1 1  -23    9   46 o  191.734   4.9198  250.121   12.760  247.876   18.560  252.133   17.573  190.896   7.1745  192.572   6.7338 -1.676712 9.839593 
1 1 1  -23    9   47 o  135.292   5.2772  123.648   9.6385  135.875   14.404  113.733   12.971  141.299   7.5222  129.284   7.4034 12.01530 10.55434 
1 1 1  -23    9   48 o  251.547   7.2702  430.545   24.783  430.545   24.783   0.0000   0.0000  251.547   7.2702  ?   ?       ?      ? 
1 1 1  -23    9   49 o  397.282   7.2983  1104.76   37.065  996.036   62.249  1164.48   46.134  381.148   12.052  413.416   8.2348 -32.26791 14.59653 
1 1 1  -23    9   50 o  193.982   5.0944  255.124   13.348  267.305   19.859  245.088   18.027  198.167   7.3951  189.797   7.0088 8.369598 10.18877 
1 1 1  -23    9   51 o  281.590   5.1808  537.730   19.733  577.638   28.963  503.161   26.956  291.302   7.3371  271.878   7.3165 19.42361 10.36170 
1 1 1  -23    9   52 o  247.228   5.0504  416.174   16.912  410.209   24.186  421.880   23.657  245.473   7.2709  248.982   7.0114 -3.508530 10.10077 
1 1 1  -23    9   53 o  208.683   5.0397  296.875   14.228  278.441   20.198  315.030   20.045  202.210   7.3709  215.156   6.8749 -12.94574 10.07936 
1 1 1  -23    9   54 o  246.567   5.0938  414.155   16.999  388.684   23.936  440.075   24.146  238.882   7.3942  254.252   7.0081 -15.36955 10.18762 
1 1 1  -23    9   55 o  138.586   6.9014  131.279   12.139  131.092   14.775  131.668   21.293  138.665   7.8630  138.508   11.344 0.1571960 13.80288 
1 1 1  -23    9   56 o  124.222   5.6923  104.896   9.5546  110.017   14.174  100.631   12.935  126.971   8.2377  121.473   7.8581 5.498199 11.38457 
1 1 1  -23    9   57 o  177.172   5.9691  212.615   13.939  207.026   17.655  221.865   22.714  174.257   7.4763  180.088   9.3073 -5.831100 11.93816 
1 1 1  -23    9   58 o  159.876   6.0263  166.399   12.686  141.459   15.814  211.417   21.247  143.933   8.1080  175.818   8.9177 -31.88515 12.05261 
1 1 1  -23    9   59 o  125.020   5.6276  105.612   9.4676  124.866   14.159   90.044   12.732  135.244   7.7258  114.796   8.1847 20.44852 11.25512 
1 1 1  -23    9   60 o  136.070   5.4606  125.527   10.030  137.900   15.001  115.522   13.488  142.080   7.7913  130.061   7.6530 12.01950 10.92120 
1 1 1  -23    9   61 o  164.748   5.2028  184.887   11.591  192.152   17.073  178.677   15.786  167.715   7.5120  161.781   7.2005 5.933853 10.40563 
1 1 1  -23    9   62 o  112.978   5.8667   87.736   8.9402   83.335   13.083   91.592   12.245  110.241   8.7575  115.715   7.8090 -5.473763 11.73349 
1 1 1  -23    9   63 o   96.068   6.6247   64.998   8.4025   50.860   12.292   77.399   11.512   85.831   10.568  106.306   7.9914 -20.47454 13.24936 
1 1 1  -23    9   64 o  125.922   7.6140  108.576   12.993   0.0000   0.0000  108.576   12.993  ?   ?   125.922   7.6140      ?      ? 
1 1 1  -23    9   65 o  126.550   7.2907  110.453   11.280  111.598   21.142  109.997   13.336  126.443   12.339  126.658   7.7699 -0.2145462 14.58137 
1 1 1  -23    9   66 o  106.152   6.1425   78.494   8.7280   68.696   12.807   86.990   11.926   99.733   9.4761  112.571   7.8181 -12.83747 12.28494 
1 1 1  -23    9   67 o   56.625   8.9290   24.240   6.9898   12.953   10.418   33.479   9.4260   43.766   14.788   69.485   10.010 -25.71939 17.85797 
1 1 1  -23    9   68 o   94.474   6.3599   62.207   8.0548   57.602   12.023   65.956   10.849   91.113   9.7379   97.835   8.1832 -6.721573 12.71970 
1 1 1  -23    9   69 o   77.392   9.2120   41.770   9.0971   38.448   11.282   47.943   15.381   74.049   11.243   80.735   14.596 -6.686661 18.42399 
1 1 1  -23    9   70 o  102.816   6.1004   73.259   8.4741   72.816   12.452   73.642   11.566  102.435   8.9702  103.197   8.2703 -0.7625275 12.20089 
1 1 1  -23    9   71 o  161.359   5.1808  179.867   11.302  172.711   16.337  186.434   15.651  158.160   7.6225  164.557   7.0186 -6.396957 10.36160 
1 1 1  -23    9   72 o  100.254   6.0785   70.175   8.2214   65.313   11.903   74.610   11.369   96.772   9.0769  103.736   8.0871 -6.963409 12.15696 
1 1 1  -23    9   73 o   98.355   6.0431   67.422   8.0342   67.014   11.762   67.779   11.000   97.975   8.8593   98.734   8.2213 -0.7594147 12.08619 
1 1 1  -23    9   74 o   87.162   6.4861   53.430   7.6373   50.860   11.059   55.774   10.560   85.010   9.5997   89.313   8.7249 -4.302315 12.97221 
1 1 1  -23    9   75 o  100.250   7.0907   73.342   9.2383   81.223   11.964   61.706   14.538  107.854   8.1860   92.645   11.580 15.20934 14.18132 
1 1 1  -23    9   76 o   68.848   8.8697   35.609   7.8921   37.943   10.312   32.308   12.261   72.900   10.439   64.795   14.343 8.104141 17.73948 
1 1 1  -23    9   77 o   98.949   8.1978   70.652   10.896   74.387   16.698   67.883   14.379  100.846   12.218   97.052   10.933 3.794388 16.39558 
1 1 1  -23    9   78 o   44.176   15.303   14.465   11.171   0.0000   0.0000   14.465   11.171  ?   ?    44.176   15.303      ?      ? 
1 1 1  -23    9   79 o   48.648   10.773   18.737   8.4396   9.8430   12.816   25.547   11.215   40.465   15.925   56.831   14.511 -16.36588 21.54510 
1 1 1  -23    9   80 o   64.891   14.019   33.040   11.967   0.0000   0.0000   33.040   11.967  ?   ?    64.891   14.019      ?      ? 
1 1 1  -23   10    1 o  161.073   5.7708  163.737   11.281  205.301   22.472  149.733   13.044  173.654   9.5492  148.492   6.4822 25.16103 11.54153 
1 1 1  -23   10    2 o  203.777   5.7629  274.358   14.441  301.295   27.404  264.002   16.992  210.369   9.6128  197.184   6.3589 13.18451 11.52571 
1 1 1  -23   10    3 o  189.203   4.4709  243.036   11.463  244.712   16.311  241.400   16.112  189.847   6.3400  188.560   6.3057 1.286774 8.941887 
1 1 1  -23   10    4 o  212.872   4.7223  300.079   12.590  288.432   15.013  327.678   23.110  206.171   5.3735  219.574   7.7668 -13.40370 9.444512 
1 1 1  -23   10    5 o  200.683   4.7619  273.517   12.036  273.535   14.549  273.477   21.422  200.779   5.3474  200.588   7.8808 0.1907806 9.523783 
1 1 1  -23   10    6 o  337.591   5.9485  811.425   24.648  869.934   29.822  685.306   43.784  357.978   6.1474  317.204   10.186 40.77322 11.89701 
1 1 1  -23   10    7 o  434.613   6.9328  1282.91   40.831  1282.91   40.831   0.0000   0.0000  434.613   6.9328  ?   ?       ?      ? 
1 1 1  -23   10    8 o  292.907   5.4050  581.741   19.476  579.999   23.106  586.016   36.197  292.328   5.8327  293.486   9.1013 -1.157593 10.80996 
1 1 1  -23   10    9 o  372.270   6.5512  942.922   32.029  942.705   40.575  943.281   52.172  372.407   8.0400  372.132   10.346 0.2751160 13.10236 
1 1 1  -23   10   10 o  494.022   9.3548  1660.80   62.627  1660.80   62.627   0.0000   0.0000  494.022   9.3548  ?   ?       ?      ? 
1 1 1  -23   10   11 o  348.435   7.8213  825.096   36.931  825.096   36.931   0.0000   0.0000  348.435   7.8213  ?   ?       ?      ? 
1 1 1  -23   10   12 o  329.692   6.0128  786.407   24.454  874.251   30.078  615.124   42.000  358.866   6.1848  300.517   10.313 58.34912 12.02554 
1 1 1  -23   10   13 o  516.156   7.4789  1730.20   44.953  1654.77   51.215  1983.31   93.819  493.475   7.6586  538.836   12.848 -45.36172 14.95784 
1 1 1  -23   10   14 o  345.423   5.9907  841.404   25.488  889.177   30.768  736.921   45.501  361.905   6.2736  328.941   10.208 32.96487 11.98136 
1 1 1  -23   10   15 f  284.634   5.4834  566.224   19.339  591.589   23.362  510.993   34.473  295.234   5.8392  274.034   9.2830 21.20044 10.96680 
1 1 1  -23   10   16 o  413.113   7.0763  1184.05   38.508  1272.37   50.116  1056.74   60.167  432.553   8.5498  393.673   11.278 38.88013 14.15269 
1 1 1  -23   10   17 o  365.527   6.0203  886.147   26.521  860.732   30.867  957.821   51.837  356.051   6.3974  375.004   10.201 -18.95261 12.04070 
1 1 1  -23   10   18 o  199.283   4.9364  271.110   12.421  273.543   15.082  265.979   21.898  200.770   5.5432  197.796   8.1698 2.974808 9.872868 
1 1 1  -23   10   19 o  205.952   5.1898  303.385   13.361  334.220   16.541  245.510   22.662  221.925   5.5002  189.978   8.8025 31.94647 10.37961 
1 1 1  -23   10   20 f  186.129   5.1871  234.388   12.825  230.462   16.509  240.363   20.368  184.220   6.6130  188.038   7.9932 -3.818649 10.37415 
1 1 1  -23   10   21 o  207.194   5.3178  292.894   14.589  297.373   18.811  286.135   23.109  209.257   6.6338  205.132   8.3131 4.125153 10.63553 
1 1 1  -23   10   22 o  156.990   6.7441  167.391   14.348  167.391   14.348   0.0000   0.0000  156.990   6.7441  ?   ?       ?      ? 
1 1 1  -23   10   23 o  227.067   5.5540  357.565   16.521  382.201   21.274  320.131   26.224  237.228   6.6176  216.906   8.9216 20.32118 11.10797 
1 1 1  -23   10   24 o  351.274   6.3120  817.298   28.538  771.994   34.805  910.238   49.852  337.018   7.6210  365.529   10.064 -28.51083 12.62402 
1 1 1  -23   10   25 o  267.815   5.5554  510.042   18.466  550.155   22.567  428.766   32.123  284.683   5.8497  250.946   9.4462 33.73682 11.11084 
1 1 1  -23   10   26 o  235.234   5.2446  382.717   15.356  393.523   18.526  358.993   27.451  240.781   5.6779  229.686   8.8195 11.09502 10.48912 
1 1 1  -23   10   27 o  263.164   5.2839  457.261   17.092  439.850   20.103  502.678   32.467  254.544   5.8280  271.783   8.8154 -17.23984 10.56771 
1 1 1  -23   10   28 o  161.563   5.0800  177.121   10.467  176.609   12.790  178.160   18.215  161.289   5.8515  161.836   8.3057 -0.5467072 10.15995 
1 1 1  -23   10   29 o  187.958   5.1914  246.160   12.268  257.375   14.993  223.445   21.338  194.715   5.6822  181.200   8.6900 13.51512 10.38282 
1 1 1  -23   10   30 o  256.439   5.8096  458.662   19.523  501.919   25.372  395.867   30.569  271.789   6.8887  241.089   9.3568 30.70010 11.61914 
1 1 1  -23   10   31 o  308.615   5.1114  646.359   21.355  669.210   31.065  625.886   29.404  313.767   7.3060  303.462   7.1503 10.30588 10.22272 
1 1 1  -23   10   32 o  295.581   6.2895  597.830   23.321  586.904   41.604  602.836   28.162  293.327   10.467  297.835   6.9775 -4.507660 12.57909 
1 1 1  -23   10   33 o  154.865   4.8684  164.740   10.106  145.245   14.809  181.734   13.826  146.156   7.4768  163.574   6.2372 -17.41827 9.736760 
1 1 1  -23   10   34 f  116.114   5.1775   90.001   8.0547  111.543   12.280   73.735   10.671  128.101   7.0741  104.128   7.5621 23.97248 10.35509 
1 1 1  -23   10   35 o  253.277   6.9608  436.028   23.891  436.028   23.891   0.0000   0.0000  253.277   6.9608  ?   ?       ?      ? 
1 1 1  -23   10   36 o  179.285   5.7172  211.826   12.919  237.466   23.563  200.805   15.448  186.669   9.3149  171.900   6.6315 14.76930 11.43441 
1 1 1  -23   10   37 o  214.657   5.8377  313.846   15.832  313.115   27.990  314.190   19.199  214.293   9.6385  215.020   6.5889 -0.7275391 11.67541 
1 1 1  -23   10   38 o  284.755   7.2051  553.270   27.791  549.844   38.683  556.925   39.952  283.871   10.056  285.640   10.321 -1.768768 14.41019 
1 1 1  -23   10   39 o  168.578   4.9581  194.186   11.265  181.193   16.455  205.647   15.454  163.208   7.4398  173.949   6.5559 -10.74100 9.916172 
1 1 1  -23   10   40 o  122.541   5.2175  102.040   8.6347  103.448   12.787  100.859   11.707  123.299   7.6531  121.783   7.0936 1.516167 10.43495 
1 1 1  -23   10   41 o  114.550   5.4286   88.842   8.3978   94.669   12.526   84.084   11.319  117.934   7.8375  111.166   7.5134 6.768036 10.85719 
1 1 1  -23   10   42 o  237.498   4.8804  384.008   15.689  368.556   22.403  398.879   21.978  232.779   7.1021  242.217   6.6959 -9.438187 9.760825 
1 1 1  -23   10   43 o  124.549   5.3472  104.541   8.9723  115.254   13.619   96.325   11.926  130.120   7.7236  118.979   7.3970 11.14109 10.69435 
1 1 1  -23   10   44 o  217.121   4.9053  321.542   14.391  298.853   20.595  343.191   20.117  209.577   7.2516  224.665   6.6076 -15.08846 9.810506 
1 1 1  -23   10   46 o  254.085   5.0701  439.581   17.396  392.653   24.340  488.576   24.870  240.168   7.4787  268.003   6.8480 -27.83513 10.14027 
1 1 1  -23   10   47 o  180.246   5.0332  220.397   12.258  229.780   18.175  212.567   16.604  183.734   7.2996  176.758   6.9317 6.976089 10.06643 
1 1 1  -23   10   48 o  257.401   6.2912  452.580   20.371  450.615   36.277  453.485   24.618  256.659   10.430  258.143   7.0374 -1.484039 12.58236 
1 1 1  -23   10   49 o  378.013   5.7480  971.396   29.394  896.508   40.505  1054.71   42.721  362.632   8.2425  393.394   8.0138 -30.76187 11.49601 
1 1 1  -23   10   50 o  325.968   5.4115  723.623   23.885  683.696   33.428  765.265   34.139  316.754   7.7877  335.182   7.5159 -18.42822 10.82299 
1 1 1  -23   10   51 o  122.303   5.7637  102.909   9.4664   91.958   13.828  112.568   12.987  116.061   8.7920  128.546   7.4551 -12.48463 11.52731 
1 1 1  -23   10   52 o  338.137   5.4812  779.615   25.106  753.503   35.472  805.826   35.539  332.430   7.8741  343.845   7.6270 -11.41476 10.96233 
1 1 1  -23   10   53 o  219.779   6.3688  332.749   17.801  337.956   21.803  322.341   30.828  222.715   7.2242  216.844   10.491 5.870132 12.73759 
1 1 1  -23   10   54 o   93.042   9.5682   59.258   12.064   59.258   12.064   0.0000   0.0000   93.042   9.5682  ?   ?       ?      ? 
1 1 1  -23   10   55 o  169.191   6.1559  201.964   13.583  225.828   17.686  167.648   21.208  182.009   7.1706  156.373   10.008 25.63641 12.31189 
1 1 1  -23   10   56 o  152.247   5.2821  157.604   10.873  166.217   16.051  150.299   14.781  156.060   7.5895  148.433   7.3484 7.627136 10.56412 
1 1 1  -23   10   57 o  170.867   5.1341  199.342   11.855  197.522   17.383  200.925   16.209  170.090   7.5416  171.644   6.9686 -1.554184 10.26824 
1 1 1  -23   10   58 o  138.911   5.4515  133.264   10.149  118.090   14.907  146.374   13.856  131.355   8.3748  146.466   6.9812 -15.11060 10.90292 
1 1 1  -23   10   59 o  110.511   6.0036   83.718   8.9336   83.245   13.388   84.098   11.995  110.159   8.9681  110.863   7.9841 -0.7037659 12.00713 
1 1 1  -23   10   60 o  215.557   5.0472  317.715   14.717  313.477   21.374  321.535   20.295  214.130   7.3659  216.983   6.9021 -2.853104 10.09431 
1 1 1  -23   10   61 o  133.415   5.5339  122.682   9.9257  114.534   14.686  129.533   13.467  129.204   8.3879  137.626   7.2209 -8.421616 11.06788 
1 1 1  -23   10   62 o  102.164   8.2803   71.655   11.464   0.0000   0.0000   71.655   11.464  ?   ?   102.164   8.2803      ?      ? 
1 1 1  -23   10   63 o  178.231   6.9909  217.428   16.885   0.0000   0.0000  217.428   16.885  ?   ?   178.231   6.9909      ?      ? 
1 1 1  -23   10   64 o  102.807   6.1085   73.259   8.4264   69.165   12.622   76.551   11.318  100.063   9.3084  105.551   7.9125 -5.487259 12.21694 
1 1 1  -23   10   65 o  110.158   5.8783   84.504   8.6702   75.663   12.838   91.918   11.756  104.633   9.0544  115.683   7.4991 -11.04931 11.75662 
1 1 1  -23   10   66 o   64.709   8.1289   29.831   6.9290   29.503   10.348   30.098   9.3294   63.714   12.431   65.704   10.478 -1.989674 16.25777 
1 1 1  -23   10   67 o   47.424   9.5917   16.574   6.5957   12.587   9.6872   20.020   9.0055   42.698   14.261   52.149   12.831 -9.451008 19.18344 
1 1 1  -23   10   68 o   86.593   8.7475   55.846   9.2382   60.223   11.450   47.684   15.636   93.093   9.0764   80.093   14.956 13.00023 17.49495 
1 1 1  -23   10   69 o   76.256   7.1357   40.894   7.3234   39.335   10.880   42.185   9.9024   74.754   10.740   77.757   9.3976 -3.002411 14.27141 
1 1 1  -23   10   70 o   56.025   8.4894   24.138   6.6414   10.265   9.6517   36.615   9.1528   39.680   14.184   72.370   9.3328 -32.69059 16.97873 
1 1 1  -23   10   71 f   39.032   9.0943   9.7937   6.2626   1.0599   9.3051   17.026   8.4674   30.307   12.906   47.757   12.816 -17.45003 18.18865 
1 1 1  -23   10   72 o   60.117   8.5777   26.630   6.7388   30.941   9.9214   22.938   9.1816   64.861   11.719   55.372   12.529 9.488564 17.15538 
1 1 1  -23   10   73 o   48.578   11.136   17.412   8.3200   21.067   12.827   14.757   10.932   52.207   16.326   44.948   15.149 7.258286 22.27124 
1 1 1  -23   10   74 o   82.693   9.5312   52.392   10.089   42.393   15.136   60.388   13.535   73.658   15.647   91.728   10.888 -18.06989 19.06239 
1 1 1  -23   10   75 o   33.724   10.159   2.2348   7.9417   4.1299   12.898   1.0775   10.079   36.455   15.343   30.993   13.321 5.462648 20.31882 
1 1 1  -23   10   76 o   86.947   8.7311   55.531   10.211   57.234   15.481   54.219   13.585   87.730   13.022   86.163   11.635 1.566422 17.46219 
1 1 1  -23   10   77 o   49.035   10.545   16.973   8.2201   30.131   12.621   7.2780   10.833   61.381   15.242   36.689   14.577 24.69166 21.09089 
1 1 1  -23   10   78 o   61.727   10.781   30.661   8.9038   30.578   13.633   30.723   11.758   61.063   16.206   62.390   14.223 -1.326538 21.56217 
1 1 1  -23   10   79 o   98.508   10.875   71.020   14.517   0.0000   0.0000   71.020   14.517  ?   ?    98.508   10.875      ?      ? 
1 1 1  -23   11    1 o  235.279   4.6234  376.040   14.739  384.813   20.925  367.401   20.763  238.007   6.4878  232.551   6.5886 5.456390 9.246714 
1 1 1  -23   11    2 o  171.676   4.4631  200.185   10.383  199.410   14.733  200.950   14.634  171.344   6.3450  172.008   6.2783 -0.6645966 8.926123 
1 1 1  -23   11    3 o   85.594   5.2035   49.501   6.0161   55.133   8.8906   44.743   8.1710   90.061   7.2847   81.127   7.4323 8.934006 10.40701 
1 1 1  -23   11    4 f   71.304   6.0293   35.836   5.6146   26.518   8.2878   43.739   7.6330   62.381   9.8041   80.227   7.0208 -17.84636 12.05868 
1 1 1  -23   11    5 o  162.100   5.4662  178.357   12.007  178.357   12.007   0.0000   0.0000  162.100   5.4662  ?   ?       ?      ? 
1 1 1  -23   11    6 o  307.546   5.7104  674.437   21.600  725.683   26.205  565.814   38.151  326.926   5.9149  288.166   9.7698 38.76019 11.42080 
1 1 1  -23   11    7 o  265.904   5.1305  464.908   16.759  444.914   19.683  517.604   31.955  256.008   5.6735  275.800   8.5498 -19.79245 10.26097 
1 1 1  -23   11    8 o  157.711   4.9383  176.293   9.8404  192.259   12.249  147.236   16.525  168.307   5.3705  147.116   8.2890 21.19037 9.876698 
1 1 1  -23   11    9 o  106.924   5.0396   78.944   7.0501   82.965   9.0095   72.591   11.323  110.539   6.0145  103.310   8.0880 7.229225 10.07919 
1 1 1  -23   11   10 o  201.501   4.8110  270.118   12.209  260.847   14.640  291.287   22.122  196.035   5.5108  206.967   7.8877 -10.93169 9.622078 
1 1 1  -23   11   11 o  107.129   4.9738   77.742   7.0362   76.918   8.9697   79.061   11.345  106.427   6.2194  107.832   7.7636 -1.405441 9.947578 
1 1 1  -23   11   12 o  109.136   5.0376   81.197   7.2168   81.992   9.1588   79.895   11.721  109.883   6.1507  108.388   7.9799 1.495079 10.07521 
1 1 1  -23   11   13 o  193.961   4.9960  263.557   12.208  279.033   15.005  233.258   20.996  202.757   5.4612  185.166   8.3674 17.59116 9.991908 
1 1 1  -23   11   14 f  115.576   5.7416   90.806   8.9896   92.757   12.916   88.974   12.520  116.777   8.1620  114.375   8.0775 2.401909 11.48320 
1 1 1  -23   11   15 o  168.033   5.3924  191.892   12.213  191.291   16.430  192.633   18.258  167.768   7.2267  168.298   8.0054 -0.5293121 10.78477 
1 1 1  -23   11   16 o  266.372   7.3193  482.272   26.420  482.272   26.420   0.0000   0.0000  266.372   7.3193  ?   ?       ?      ? 
1 1 1  -23   11   17 o  320.325   5.6537  674.520   21.934  647.627   25.542  750.041   42.803  308.823   6.1033  331.826   9.5188 -23.00253 11.30742 
1 1 1  -23   11   18 o  155.846   4.9995  168.257   9.9632  175.367   12.356  155.046   16.845  160.725   5.6732  150.967   8.2337 9.757599 9.998938 
1 1 1  -23   11   19 o   61.672   7.0093   26.642   5.6440   29.670   7.7227   23.170   8.2691   66.027   8.6310   57.318   11.046 8.708946 14.01853 
1 1 1  -23   11   20 o   93.524   6.9350   59.436   8.7893   59.436   8.7893   0.0000   0.0000   93.524   6.9350  ?   ?       ?      ? 
1 1 1  -23   11   21 o  175.566   5.7069  209.261   13.578  209.261   13.578   0.0000   0.0000  175.566   5.7069  ?   ?       ?      ? 
1 1 1  -23   11   22 o  232.649   5.1831  372.918   15.113  381.440   18.305  354.671   26.786  237.031   5.6989  228.266   8.6592 8.764664 10.36624 
1 1 1  -23   11   23 f  199.527   5.0304  272.093   12.685  274.815   15.420  266.394   22.310  201.194   5.6556  197.860   8.3207 3.333694 10.06080 
1 1 1  -23   11   24 o  140.728   5.2576  140.644   9.4035  155.231   11.821  115.509   15.517  151.204   5.7693  130.252   8.7911 20.95146 10.51516 
1 1 1  -23   11   25 o  162.968   5.0016  182.349   10.430  186.250   12.868  174.877   17.808  165.623   5.7333  160.313   8.1972 5.310104 10.00329 
1 1 1  -23   11   26 f  215.256   5.0084  305.320   13.544  290.397   16.160  340.551   24.830  206.803   5.7664  223.708   8.1906 -16.90514 10.01682 
1 1 1  -23   11   27 o  229.791   5.3763  376.733   15.389  410.152   18.920  311.413   26.451  245.777   5.6807  213.806   9.1295 31.97105 10.75261 
1 1 1  -23   11   28 o  138.715   5.1194  126.915   9.2434  117.704   11.393  144.654   15.811  131.624   6.3875  145.806   8.0020 -14.18135 10.23873 
1 1 1  -23   11   29 o  257.332   5.6998  444.984   19.367  426.740   24.527  475.198   31.563  250.523   7.2246  264.140   8.8180 -13.61641 11.39964 
1 1 1  -23   11   30 o  347.155   7.6960  811.720   35.744  892.934   56.114  756.267   46.368  361.414   11.457  332.896   10.278 28.51868 15.39201 
1 1 1  -23   11   31 o  235.781   7.0409  385.456   21.998  344.701   33.803  415.397   28.973  224.597   11.106  246.964   8.6572 -22.36769 14.08175 
1 1 1  -23   11   32 o  267.375   5.8743  489.924   20.748  501.732   26.707  471.951   32.949  271.618   7.2558  263.133   9.2404 8.485474 11.74866 
1 1 1  -23   11   33 o  212.937   5.2469  307.488   14.130  305.816   17.122  311.060   25.022  212.180   5.9548  213.693   8.6407 -1.513092 10.49387 
1 1 1  -23   11   34 o   97.295   5.8500   65.771   7.5438   56.251   11.388   73.215   10.070   90.833   9.2517  103.757   7.1622 -12.92412 11.69998 
1 1 1  -23   11   35 o  216.570   4.8085  317.326   14.073  340.373   20.868  298.099   19.060  223.739   6.8827  209.402   6.7169 14.33714 9.617089 
1 1 1  -23   11   36 o  266.349   6.2727  490.582   21.321  505.512   26.306  461.990   36.403  272.622   7.1205  260.076   10.329 12.54602 12.54539 
1 1 1  -23   11   37 o  152.001   6.3527  158.672   12.324  161.036   15.141  154.033   21.213  153.853   7.2622  150.150   10.425 3.703262 12.70533 
1 1 1  -23   11   38 o  238.898   4.8917  386.668   15.798  409.229   23.356  367.638   21.450  245.284   7.0265  232.513   6.8076 12.77069 9.783407 
1 1 1  -23   11   39 o  209.190   7.1829  297.729   20.362  297.729   20.362   0.0000   0.0000  209.190   7.1829  ?   ?       ?      ? 
1 1 1  -23   11   40 o  160.021   5.0659  173.657   10.944  180.505   16.321  168.063   14.751  162.856   7.3956  157.186   6.9252 5.669952 10.13177 
1 1 1  -23   11   41 o  306.215   5.2690  636.362   21.823  668.804   32.093  608.458   29.763  313.433   7.5558  298.997   7.3457 14.43600 10.53801 
1 1 1  -23   11   42 o  293.106   5.1887  585.329   20.587  568.523   29.525  601.234   28.722  288.970   7.5397  297.242   7.1305 -8.272461 10.37743 
1 1 1  -23   11   43 o  190.923   7.2887  248.123   18.858  248.123   18.858   0.0000   0.0000  190.923   7.2887  ?   ?       ?      ? 
1 1 1  -23   11   44 o  221.470   4.9511  334.408   14.830  320.511   21.361  347.337   20.604  216.984   7.2647  225.957   6.7289 -8.972977 9.902164 
1 1 1  -23   11   45 o  146.276   5.1966  146.098   10.250  141.138   15.117  150.320   13.946  143.931   7.7504  148.621   6.9247 -4.690109 10.39324 
1 1 1  -23   11   46 o  240.640   6.1891  389.161   18.656  411.049   33.963  379.703   22.326  245.096   10.226  236.184   6.9755 8.912125 12.37827 
1 1 1  -23   11   47 o  210.588   6.1811  298.716   16.227  312.982   29.739  292.668   19.364  213.825   10.263  207.350   6.8914 6.474564 12.36217 
1 1 1  -23   11   48 o  235.402   5.0286  377.675   16.021  371.109   23.124  383.736   22.218  233.399   7.3110  237.405   6.9062 -4.006714 10.05711 
1 1 1  -23   11   49 o  279.285   5.1596  531.170   19.508  538.182   28.312  524.831   26.917  281.009   7.4348  277.561   7.1562 3.447876 10.31921 
1 1 1  -23   11   50 f  212.202   5.8553  300.095   16.404  277.179   20.652  339.275   27.003  201.620   7.5587  222.783   8.9444 -21.16365 11.71055 
1 1 1  -23   11   51 o  108.702   6.7837   78.828   9.8516   64.064   12.868   99.732   15.313   96.696   9.8206  120.708   9.3611 -24.01272 13.56741 
1 1 1  -23   11   52 o   86.013   10.183   50.766   11.870   50.766   11.870   0.0000   0.0000   86.013   10.183  ?   ?       ?      ? 
1 1 1  -23   11   53 o   83.383   6.8944   48.374   7.6728   42.107   11.373   53.609   10.395   78.248   10.726   88.518   8.6656 -10.26977 13.78885 
1 1 1  -23   11   54 o   79.453   7.0034   43.097   7.4948   45.610   11.357   41.159   9.9757   81.450   10.289   77.456   9.5040 3.993607 14.00680 
1 1 1  -23   11   55 o  126.488   5.5199  108.774   9.4214  115.780   14.132  103.170   12.640  130.103   8.0156  122.874   7.5912 7.229103 11.03976 
1 1 1  -23   11   56 o   95.201   6.6494   65.025   8.1828   46.011   12.136   80.876   11.081   81.633   10.970  108.769   7.5175 -27.13531 13.29888 
1 1 1  -23   11   57 o   84.114   6.8373   47.788   7.7192   56.115   11.939   41.805   10.119   90.281   9.7584   77.947   9.5797 12.33475 13.67466 
1 1 1  -23   11   58 o  184.930   5.0820  234.668   12.677  224.227   18.590  243.742   17.331  180.976   7.5802  188.884   6.7711 -7.907776 10.16398 
1 1 1  -23   11   59 f  104.398   8.4060   83.380   9.9338   61.363   19.033   91.623   11.646   93.129   15.081  115.667   7.4298 -22.53779 16.81204 
1 1 1  -23   11   60 o  104.613   7.6998   71.940   9.6798   84.973   19.326   67.575   11.184  110.074   12.956   99.151   8.3235 10.92245 15.39953 
1 1 1  -23   11   61 o  140.206   6.6567  139.811   11.482  125.935   20.646  146.026   13.816  134.405   11.335  146.007   6.9828 -11.60156 13.31339 
1 1 1  -23   11   62 f  105.370   6.0904   78.151   8.5104   65.058   12.647   88.985   11.505   96.906   9.6309  113.835   7.4579 -16.92911 12.18088 
1 1 1  -23   11   63 o   59.202   8.8353   25.628   6.8231   24.875   10.297   26.217   9.1102   58.173   13.346   60.232   11.582 -2.059738 17.67067 
1 1 1  -23   11   64 o  145.842   5.2774  146.273   10.393  147.689   15.387  145.085   14.095  146.401   7.7557  145.284   7.1591 1.116913 10.55483 
1 1 1  -23   11   65 o  113.197   5.7663   89.494   8.7480   79.357   12.840   98.275   11.951  106.950   8.8595  119.444   7.3832 -12.49459 11.53262 
1 1 1  -23   11   66 f   66.976   9.9706   34.609   8.5515   38.751   10.685   27.230   14.263   74.259   10.618   59.693   16.879 14.56609 19.94125 
1 1 1  -23   11   67 o   60.168   8.7285   26.816   7.0102   17.471   9.8783   36.296   9.9499   48.467   14.155   71.868   10.216 -23.40141 17.45697 
1 1 1  -23   11   68 o   57.308   10.017   24.892   7.6550   25.384   9.9492   24.178   11.984   58.349   12.923   56.266   15.309 2.082775 20.03471 
1 1 1  -23   11   69 o   63.894   10.803   31.622   9.2200   28.745   13.770   33.961   12.413   60.751   16.361   67.038   14.110 -6.287361 21.60536 
1 1 1  -23   11   70 o   87.669   6.5584   54.787   7.6595   44.553   10.997   64.430   10.674   79.255   10.239   96.083   8.1980 -16.82787 13.11689 
1 1 1  -23   11   71 o   84.820   7.5162   48.982   8.4276   38.087   10.714   66.663   13.649   72.941   10.839   96.699   10.416 -23.75710 15.03244 
1 1 1  -23   11   72 o   45.829   10.091   16.013   7.2336   20.752   9.6885   10.044   10.873   51.956   13.601   39.702   14.911 12.25364 20.18254 
1 1 1  -23   11   73 f  114.205   6.5546   89.688   9.9451   78.606   12.632  107.760   16.131  105.451   8.8394  122.960   9.6807 -17.50884 13.10918 
1 1 1  -23   11   74 o   82.561   9.1016   49.744   9.8143   63.225   15.303   40.324   12.791   92.628   12.191   72.495   13.518 20.13258 18.20325 
1 1 1  -23   11   75 f   62.805   10.816   30.745   9.1263   39.940   14.084   24.089   11.982   70.911   15.118   54.699   15.472 16.21151 21.63218 
1 1 1  -23   11   76 o   65.680   10.572   33.542   9.1753   43.346   14.213   26.537   12.014   74.042   14.684   57.318   15.214 16.72360 21.14423 
1 1 1  -23   11   77 o   49.953   15.462   20.181   11.538   0.0000   0.0000   20.181   11.538  ?   ?    49.953   15.462      ?      ? 
1 1 1  -23   11   78 o   86.587   11.839   55.909   13.891   0.0000   0.0000   55.909   13.891  ?   ?    86.587   11.839      ?      ? 
1 1 1  -23   12    1 o  136.978   5.1100  126.701   9.3482  122.540   12.137  132.769   14.657  134.270   6.6706  139.685   7.7429 -5.415222 10.22008 
1 1 1  -23   12    2 o  164.728   5.1627  185.689   11.284  190.474   14.650  178.712   17.692  167.419   6.4575  162.036   8.0571 5.383469 10.32546 
1 1 1  -23   12    3 o  173.817   6.5070  205.315   15.327  205.315   15.327   0.0000   0.0000  173.817   6.5070  ?   ?       ?      ? 
1 1 1  -23   12    4 o  157.027   6.6272  167.580   14.102  167.580   14.102   0.0000   0.0000  157.027   6.6272  ?   ?       ?      ? 
1 1 1  -23   12    5 o  192.230   5.2359  251.202   13.340  250.742   17.158  251.906   21.212  192.083   6.5918  192.378   8.1367 -0.2950134 10.47175 
1 1 1  -23   12    6 o  182.604   4.8269  221.263   11.202  211.775   13.519  242.048   20.009  176.598   5.6490  188.610   7.8284 -12.01169 9.653729 
1 1 1  -23   12    7 o  198.603   4.9046  266.941   12.288  264.893   14.847  271.394   21.893  197.516   5.5471  199.690   8.0902 -2.173111 9.809294 
1 1 1  -23   12    8 o  245.091   5.2059  416.732   15.901  430.388   19.227  387.178   28.286  251.759   5.6357  238.424   8.7547 13.33504 10.41186 
1 1 1  -23   12    9 o  376.102   6.2576  988.644   28.843  1025.35   34.503  903.484   52.555  388.443   6.5545  363.760   10.661 24.68228 12.51517 
1 1 1  -23   12   10 o  413.327   6.5169  1151.51   32.434  1136.78   37.872  1192.03   62.822  408.956   6.8338  417.699   11.099 -8.742859 13.03375 
1 1 1  -23   12   11 o  213.356   5.0888  312.681   13.743  318.628   16.771  300.522   23.980  216.614   5.7132  210.098   8.4228 6.516068 10.17760 
1 1 1  -23   12   12 o  220.328   5.1502  334.756   14.386  343.796   17.618  316.671   24.920  225.001   5.7781  215.656   8.5271 9.344513 10.30038 
1 1 1  -23   12   13 o  401.303   8.1626  1091.57   44.020  1171.95   67.598  1032.39   58.005  413.858   12.053  388.749   11.011 25.10876 16.32520 
1 1 1  -23   12   14 o  387.849   6.7028  1014.52   33.732  988.539   41.786  1063.12   57.155  381.117   8.0907  394.582   10.689 -13.46530 13.40567 
1 1 1  -23   12   15 o  240.510   5.5812  397.312   17.771  412.453   23.059  375.169   27.886  246.324   6.9081  234.695   8.7679 11.62880 11.16236 
1 1 1  -23   12   16 o  211.512   5.4197  305.591   15.254  311.224   19.882  297.531   23.782  213.975   6.8567  209.049   8.3951 4.926651 10.83935 
1 1 1  -23   12   17 o  170.691   5.4456  201.386   12.381  222.378   16.650  175.422   18.517  180.877   6.7928  160.505   8.5134 20.37201 10.89126 
1 1 1  -23   12   18 o  184.663   5.3886  233.463   13.295  241.722   17.580  222.427   20.320  188.571   6.8794  180.755   8.2958 7.816330 10.77713 
1 1 1  -23   12   19 o  143.839   7.2592  140.699   14.150  140.699   14.150   0.0000   0.0000  143.839   7.2592  ?   ?       ?      ? 
1 1 1  -23   12   20 o  175.461   5.4163  209.487   12.753  209.686   16.903  209.223   19.431  175.608   7.1029  175.314   8.1789 0.2940063 10.83263 
1 1 1  -23   12   21 o  155.630   6.9129  160.020   13.973  183.170   24.039  148.208   17.171  163.745   10.834  147.515   8.5899 16.22952 13.82577 
1 1 1  -23   12   22 o  153.247   11.331  160.572   23.530  160.572   23.530   0.0000   0.0000  153.247   11.331  ?   ?       ?      ? 
1 1 1  -23   12   23 o  202.651   5.3526  288.405   13.586  305.020   16.613  254.860   23.605  211.918   5.7849  193.383   9.0076 18.53558 10.70524 
1 1 1  -23   12   24 o  227.432   5.2616  356.916   14.991  365.544   18.158  338.447   26.567  231.991   5.7759  222.873   8.7964 9.117401 10.52320 
1 1 1  -23   12   25 o  189.454   4.9489  232.388   11.933  212.413   14.311  277.954   21.615  176.827   5.9723  202.080   7.8930 -25.25334 9.897844 
1 1 1  -23   12   26 o  202.450   5.2089  286.367   13.321  301.334   16.381  257.146   22.889  210.630   5.7390  194.270   8.6944 16.36021 10.41775 
1 1 1  -23   12   27 o  189.000   5.0817  242.554   12.224  241.768   14.907  244.169   21.360  188.657   5.8307  189.343   8.3245 -0.6858215 10.16343 
1 1 1  -23   12   28 o  122.757   5.2977   99.865   8.5459   92.358   10.675  113.260   14.260  116.550   6.7590  128.965   8.1596 -12.41473 10.59540 
1 1 1  -23   12   29 o  145.855   5.8054  145.915   11.392  159.737   15.751  130.753   16.497  153.204   7.5866  138.506   8.7893 14.69812 11.61074 
1 1 1  -23   12   30 o  205.907   5.3334  299.488   13.784  320.843   16.957  257.896   23.665  217.326   5.7578  194.488   8.9792 22.83882 10.66674 
1 1 1  -23   12   31 o  160.225   5.0762  169.206   10.503  157.806   12.830  192.369   18.287  152.380   6.2131  168.071   8.0291 -15.69127 10.15233 
1 1 1  -23   12   32 f   38.053   9.2520   8.7682   5.8781   5.7289   8.2038   11.975   8.4265   34.099   12.919   42.008   13.247 -7.909801 18.50407 
1 1 1  -23   12   33 o   84.370   6.6296   47.263   7.2925   31.629   9.5520   69.107   11.291   68.028   10.362  100.713   8.2731 -32.68481 13.25920 
1 1 1  -23   12   34 o  175.681   5.4307  218.375   12.160  238.476   15.271  183.545   20.102  187.327   6.0157  164.036   9.0433 23.29143 10.86144 
1 1 1  -23   12   35 o  134.755   6.7198  123.504   12.271  123.504   12.271   0.0000   0.0000  134.755   6.7198  ?   ?       ?      ? 
1 1 1  -23   12   36 o  148.494   5.5239  155.250   10.514  168.221   13.242  133.132   17.293  157.309   6.2120  139.678   9.1358 17.63036 11.04772 
1 1 1  -23   12   37 o  162.055   4.9710  177.815   10.879  189.041   16.230  168.657   14.659  166.661   7.1861  157.449   6.8704 9.211304 9.941971 
1 1 1  -23   12   38 o  280.541   5.0853  535.450   19.310  540.675   28.064  530.753   26.609  281.811   7.3488  279.270   7.0312 2.541656 10.17064 
1 1 1  -23   12   39 o  351.352   5.5091  839.130   26.192  875.428   38.328  807.328   35.876  358.440   7.8908  344.265   7.6900 14.17554 11.01817 
1 1 1  -23   12   40 f  262.301   7.3196  468.489   26.018  468.489   26.018   0.0000   0.0000  262.301   7.3196  ?   ?       ?      ? 
1 1 1  -23   12   41 o  249.394   4.9906  422.528   16.829  436.226   24.789  410.819   22.919  253.107   7.2273  245.682   6.8840 7.425293 9.981141 
1 1 1  -23   12   42 o  182.575   5.0032  226.304   12.325  233.823   18.425  220.214   16.581  185.279   7.3384  179.872   6.8026 5.406097 10.00635 
1 1 1  -23   12   43 o  237.229   5.0140  384.460   16.043  341.922   22.698  426.929   22.679  224.007   7.4772  250.451   6.6823 -26.44362 10.02804 
1 1 1  -23   12   44 o  166.046   5.1436  186.918   11.480  194.937   17.533  180.901   15.188  169.099   7.6514  162.993   6.8763 6.106033 10.28729 
1 1 1  -23   12   45 o  117.077   7.1256   94.335   10.263   92.854   18.939   94.950   12.211  116.151   12.033  118.004   7.6361 -1.853004 14.25115 
1 1 1  -23   12   46 o  259.641   5.9818  460.420   20.406  460.206   25.871  460.771   33.196  259.819   7.3478  259.464   9.4412 0.3554077 11.96354 
1 1 1  -23   12   47 o  163.752   5.8278  181.734   12.724  175.551   16.453  190.934   20.070  160.417   7.5687  167.088   8.8638 -6.670990 11.65559 
1 1 1  -23   12   48 o  169.221   5.1323  195.632   11.721  191.400   17.273  199.243   15.957  167.467   7.6114  170.975   6.8870 -3.508102 10.26470 
1 1 1  -23   12   49 o  257.005   5.0983  449.375   17.714  467.825   26.148  433.724   24.083  261.828   7.3694  252.182   7.0472 9.646393 10.19665 
1 1 1  -23   12   50 o  183.910   6.3986  233.340   15.075  236.688   18.595  226.922   25.750  186.197   7.3697  181.623   10.462 4.573532 12.79729 
1 1 1  -23   12   51 o  157.063   6.3832  165.234   12.924  156.998   15.810  181.821   22.437  151.557   7.6979  162.569   10.184 -11.01256 12.76640 
1 1 1  -23   12   52 o   83.792   7.5668   52.653   7.6618   31.824   11.407   69.776   10.342   66.557   13.113  101.027   7.5544 -34.47044 15.13354 
1 1 1  -23   12   53 o  106.814   5.8088   77.552   8.3191   82.351   12.880   74.117   10.897  109.558   8.6757  104.071   7.7266 5.487022 11.61758 
1 1 1  -23   12   54 o  107.950   5.8540   79.769   8.4774   80.994   12.982   78.859   11.194  108.583   8.8224  107.317   7.6970 1.265701 11.70807 
1 1 1  -23   12   55 o  121.809   7.0945  102.939   10.346  101.380   19.925  103.514   12.107  120.631   12.189  122.987   7.2641 -2.355759 14.18899 
1 1 1  -23   12   56 o  123.164   7.1503  102.926   10.492  109.161   20.735  100.781   12.164  125.042   12.237  121.286   7.4011 3.755920 14.30069 
1 1 1  -23   12   57 o  155.889   5.2338  167.248   10.953  161.631   16.503  171.669   14.642  153.403   7.9388  158.375   6.8225 -4.971695 10.46758 
1 1 1  -23   12   58 o  101.515   6.0475   70.251   8.2434   76.516   12.727   65.723   10.820  105.298   8.9192   97.732   8.1694 7.565903 12.09507 
1 1 1  -23   12   59 o  152.847   6.6866  171.656   12.363  138.273   22.075  186.909   14.922  140.518   11.593  165.176   6.6667 -24.65721 13.37318 
1 1 1  -23   12   60 o  128.376   6.8773  117.709   10.743  106.814   19.694  122.324   12.817  123.283   11.788  133.469   7.0866 -10.18587 13.75452 
1 1 1  -23   12   61 o  130.402   5.5045  117.013   9.6315  118.761   14.729  115.708   12.730  131.101   8.2909  129.703   7.2428 1.397812 11.00891 
1 1 1  -23   12   62 o  154.519   5.2022  161.916   10.807  187.715   16.565  142.801   14.259  165.050   7.4060  143.988   7.3076 21.06181 10.40431 
1 1 1  -23   12   63 o   47.560   9.4282   17.144   6.5723   10.696   10.129   21.832   8.6375   40.627   14.529   54.493   12.019 -13.86648 18.85649 
1 1 1  -23   12   64 o   85.984   9.4145   52.686   10.615   64.885   16.347   43.793   13.958   95.159   12.677   76.810   13.922 18.34927 18.82895 
1 1 1  -23   12   65 o   64.728   12.046   32.890   10.763   28.837   15.792   36.405   14.708   60.695   17.947   68.762   16.072 -8.067001 24.09167 
1 1 1  -23   12   66 o   86.102   6.4776   51.700   7.5313   55.199   11.242   48.852   10.145   88.669   9.3557   83.535   8.9614 5.133133 12.95514 
1 1 1  -23   12   67 o   48.772   9.3035   17.328   6.3952   23.994   9.7137   12.228   8.4965   56.432   12.973   41.111   13.338 15.32137 18.60704 
1 1 1  -23   12   68 o   45.473   10.475   15.437   7.4073   16.435   9.8709   14.152   11.207   46.624   14.280   44.321   15.329 2.303120 20.94930 
1 1 1  -23   12   69 o   78.717   8.0237   44.412   8.3942   43.041   10.802   46.501   13.336   77.636   10.268   79.798   12.333 -2.162514 16.04745 
1 1 1  -23   12   70 o   47.617   10.364   17.557   7.3167   18.442   9.5509   16.300   11.383   48.880   13.809   46.354   15.459 2.526470 20.72833 
1 1 1  -23   12   71 o   47.510   10.066   16.491   7.1076   11.030   9.2730   24.269   11.067   39.504   13.926   55.516   14.538 -16.01263 20.13152 
1 1 1  -23   12   72 o   69.885   10.516   37.342   9.5383   46.959   15.141   31.015   12.282   77.197   15.014   62.573   14.729 14.62429 21.03235 
1 1 1  -23   12   73 o   85.012   8.9493   52.773   9.9180   68.090   15.560   42.290   12.872   95.916   11.971   74.107   13.307 21.80879 17.89869 
1 1 1  -23   12   74 o   98.318   10.671   70.529   14.217   0.0000   0.0000   70.529   14.217  ?   ?    98.318   10.671      ?      ? 
1 1 1  -23   12   75 o   37.667   14.636   8.8522   10.712   0.0000   0.0000   8.8522   10.712  ?   ?    37.667   14.636      ?      ? 
1 1 1  -23   12   76 o   36.297   14.599   7.2079   11.002   0.0000   0.0000   7.2079   11.002  ?   ?    36.297   14.599      ?      ? 
1 1 1  -23   13    1 o  224.589   6.5999  350.487   17.783  358.140   20.906  330.459   33.820  229.485   6.7225  219.693   11.360 9.791687 13.19983 
1 1 1  -23   13    2 o  109.881   5.3828   82.066   8.0080   85.114   11.631   79.319   11.042  111.813   7.6758  107.948   7.5486 3.865211 10.76565 
1 1 1  -23   13    3 o  186.047   4.7992  235.251   12.080  217.334   16.855  254.176   17.323  178.750   6.9581  193.344   6.6116 -14.59430 9.598332 
1 1 1  -23   13    4 o  251.868   4.8895  430.717   16.671  404.516   23.080  459.297   24.105  243.864   6.9840  259.873   6.8449 -16.00830 9.778959 
1 1 1  -23   13    5 o  261.217   5.6732  467.758   19.468  477.680   24.815  451.876   31.395  265.015   6.9098  257.420   8.9998 7.595367 11.34646 
1 1 1  -23   13    6 o  293.656   5.6192  600.904   20.306  621.432   24.338  553.882   36.835  302.424   5.9386  284.889   9.5413 17.53491 11.23844 
1 1 1  -23   13    7 o  249.080   5.3127  429.857   16.389  441.718   19.696  403.161   29.549  255.001   5.6997  243.160   8.9674 11.84073 10.62548 
1 1 1  -23   13    8 o  229.812   5.0393  345.630   14.354  327.089   16.931  393.022   27.069  219.434   5.6938  240.191   8.3162 -20.75636 10.07865 
1 1 1  -23   13    9 o  145.005   5.1130  146.984   9.4336  155.555   11.699  131.056   15.949  151.326   5.7052  138.686   8.4865 12.63994 10.22595 
1 1 1  -23   13   10 o  155.313   5.1130  167.364   10.147  174.544   12.579  153.987   17.170  160.290   5.7911  150.336   8.4281 9.954773 10.22598 
1 1 1  -23   13   11 o  197.959   5.5673  269.802   14.751  293.088   19.955  241.745   21.904  207.573   7.0940  188.346   8.5821 19.22682 11.13454 
1 1 1  -23   13   12 o  199.470   4.9124  256.357   12.282  235.535   14.542  308.164   22.939  186.204   5.7632  212.737   7.9569 -26.53333 9.824805 
1 1 1  -23   13   13 o  151.822   5.0681  157.758   9.8311  159.717   12.082  153.920   16.912  153.329   5.8149  150.315   8.3025 3.013962 10.13626 
1 1 1  -23   13   14 o  141.914   4.9939  131.704   9.1546  120.723   11.159  154.306   16.010  133.282   6.1782  150.546   7.8476 -17.26459 9.987760 
1 1 1  -23   13   15 o  215.906   5.3911  334.891   14.461  368.672   17.817  269.669   24.756  232.971   5.6434  198.840   9.1875 34.13042 10.78228 
1 1 1  -23   13   16 o  257.387   5.3080  437.706   16.827  420.413   19.814  482.440   31.868  248.755   5.8779  266.019   8.8402 -17.26437 10.61598 
1 1 1  -23   13   17 o  299.721   6.0734  610.453   24.668  610.453   24.668   0.0000   0.0000  299.721   6.0734  ?   ?       ?      ? 
1 1 1  -23   13   18 o  272.260   5.4479  496.502   18.351  485.130   21.758  524.525   34.157  267.197   6.0091  277.324   9.0888 -10.12704 10.89571 
1 1 1  -23   13   19 o  245.754   5.4145  420.720   16.620  437.242   20.170  385.774   29.334  253.682   5.8672  237.826   9.1019 15.85564 10.82905 
1 1 1  -23   13   20 o  171.344   5.3944  194.275   12.314  170.854   15.747  231.139   19.756  158.453   7.3337  184.235   7.9131 -25.78174 10.78888 
1 1 1  -23   13   21 o  122.540   5.3583   98.643   8.6947   86.458   10.963  119.299   14.274  112.727   7.1767  132.353   7.9587 -19.62656 10.71666 
1 1 1  -23   13   22 o  210.628   5.4569  317.370   14.397  349.001   17.845  258.406   24.364  226.643   5.8103  194.614   9.2385 32.02919 10.91374 
1 1 1  -23   13   23 o  235.991   5.5038  395.028   16.256  425.510   19.990  335.508   27.933  250.242   5.8949  221.739   9.2961 28.50311 11.00756 
1 1 1  -23   13   24 o  259.789   5.4808  464.366   17.777  472.218   21.432  447.054   31.822  263.603   5.9998  255.976   9.1737 7.626938 10.96152 
1 1 1  -23   13   25 o  178.609   5.1427  214.803   11.811  209.980   14.488  224.360   20.394  175.770   6.0826  181.449   8.2940 -5.679153 10.28533 
1 1 1  -23   13   26 o   86.222   6.3675   50.220   7.3909   46.626   9.7911   54.980   11.269   82.689   8.7378   89.756   9.2646 -7.066795 12.73503 
1 1 1  -23   13   27 o  176.146   5.7480  212.522   13.608  221.526   18.354  201.530   20.280  180.384   7.5085  171.909   8.7052 8.474792 11.49602 
1 1 1  -23   13   28 o  195.186   7.4361  259.367   19.669  259.367   19.669   0.0000   0.0000  195.186   7.4361  ?   ?       ?      ? 
1 1 1  -23   13   29 o  136.871   6.4931  127.400   12.043  127.400   12.043   0.0000   0.0000  136.871   6.4931  ?   ?       ?      ? 
1 1 1  -23   13   30 o  127.645   5.4156  110.756   9.0130  110.188   11.288  111.755   14.971  127.283   6.5441  128.007   8.6307 -0.7234802 10.83123 
1 1 1  -23   13   31 o   88.428   6.3183   52.645   7.4485   49.621   9.5896   57.242   11.826   85.314   8.2947   91.542   9.5331 -6.227333 12.63651 
1 1 1  -23   13   32 o   93.874   6.4740   62.990   7.8184   72.572   10.133   48.892   12.291  103.245   7.2424   84.503   10.733 18.74227 12.94799 
1 1 1  -23   13   33 o  114.089   6.9095   88.585   10.682   88.585   10.682   0.0000   0.0000  114.089   6.9095  ?   ?       ?      ? 
1 1 1  -23   13   34 o  234.073   5.6649  395.222   16.443  436.851   20.263  314.956   28.137  253.497   5.8986  214.648   9.6731 38.84953 11.32970 
1 1 1  -23   13   35 o  245.211   5.4233  405.222   16.610  398.267   19.862  421.399   30.291  242.013   6.0562  248.410   8.9984 -6.397049 10.84659 
1 1 1  -23   13   36 o  218.749   5.3453  324.678   14.734  322.303   17.791  329.863   26.293  217.706   6.0303  219.792   8.8276 -2.085480 10.69065 
1 1 1  -23   13   37 o  240.198   5.6462  410.718   16.934  443.555   20.805  346.260   29.148  255.385   6.0115  225.011   9.5594 30.37450 11.29249 
1 1 1  -23   13   38 o  175.676   5.5764  220.831   12.340  243.810   15.395  179.518   20.641  189.333   6.0001  162.018   9.4014 27.31512 11.15288 
1 1 1  -23   13   39 o   89.899   6.7298   56.881   7.9027   62.799   10.261   48.255   12.389   95.947   7.8921   83.850   10.903 12.09674 13.45954 
1 1 1  -23   13   40 o  122.129   6.3365  104.961   10.172  125.763   13.854   80.627   14.984  135.806   7.5277  108.452   10.195 27.35416 12.67310 
1 1 1  -23   13   41 o  195.191   5.6324  253.140   14.571  229.247   18.440  292.857   23.775  183.351   7.4217  207.031   8.4744 -23.68086 11.26489 
1 1 1  -23   13   42 o  180.720   5.7018  219.140   13.744  202.500   17.674  244.598   21.861  172.277   7.5705  189.164   8.5281 -16.88669 11.40356 
1 1 1  -23   13   43 o   95.584   7.7075   62.903   8.8246   62.691   17.046   62.981   10.314   95.140   13.221   96.029   7.9261 -0.8895569 15.41509 
1 1 1  -23   13   44 o  128.620   5.4387  113.338   9.3609  110.567   14.323  115.403   12.368  127.160   8.3121  130.081   7.0160 -2.921326 10.87730 
1 1 1  -23   13   45 o  190.874   4.9614  246.141   12.764  272.796   19.308  225.447   17.012  199.943   7.1260  181.804   6.9053 18.13942 9.922843 
1 1 1  -23   13   46 o  211.195   5.0258  306.417   14.283  270.435   20.483  340.469   19.927  198.939   7.5980  223.451   6.5807 -24.51292 10.05168 
1 1 1  -23   13   47 o  148.573   5.2362  149.086   10.452  163.971   16.108  138.259   13.737  154.858   7.6757  142.288   7.1244 12.56958 10.47249 
1 1 1  -23   13   48 o  199.476   6.2047  267.893   15.970  256.901   19.592  289.656   27.567  193.838   7.4587  205.114   9.9178 -11.27663 12.40945 
1 1 1  -23   13   49 o  184.533   6.3176  235.228   15.097  238.523   18.848  229.328   25.219  186.730   7.4484  182.337   10.206 4.393509 12.63527 
1 1 1  -23   13   50 o  128.765   5.6400  116.302   9.6053   95.922   14.355  132.823   12.925  118.115   8.9687  139.414   6.8412 -21.29882 11.28006 
1 1 1  -23   13   51 o  130.521   6.9361  119.264   10.906  113.808   20.628  121.381   12.849  127.853   11.906  133.190   7.1191 -5.337074 13.87221 
1 1 1  -23   13   52 o  128.598   6.8176  109.450   10.588  124.863   20.833  104.083   12.294  133.942   11.478  123.253   7.3606 10.68832 13.63516 
1 1 1  -23   13   53 o   95.134   6.3359   63.297   7.9747   57.709   12.381   67.260   10.425   91.290   10.008   98.979   7.7726 -7.688904 12.67175 
1 1 1  -23   13   54 o   50.878   9.3736   18.138   6.3906   22.877   10.465   15.319   8.0702   55.801   13.893   45.956   12.588 9.845146 18.74726 
1 1 1  -23   13   55 f   98.872   6.1225   69.569   7.9259   56.518   12.119   79.324   10.477   90.234   9.9106  107.509   7.1916 -17.27589 12.24501 
1 1 1  -23   13   56 f   44.274   9.6021   14.170   6.2600   12.274   10.183   15.322   7.9368   42.704   14.620   45.845   12.453 -3.141777 19.20415 
1 1 1  -23   13   57 o   61.750   9.8271   29.919   7.3185   22.428   14.535   32.463   8.4707   55.090   17.401   68.411   9.1372 -13.32040 19.65427 
1 1 1  -23   13   58 o   51.939   10.238   14.829   6.9557   33.913   14.201   8.8053   7.9782   67.003   15.882   36.875   12.923 30.12887 20.47580 
1 1 1  -23   13   59 o  118.466   6.5035   98.454   10.329  104.176   13.907   91.414   15.425  122.607   8.3702  114.325   9.9561 8.282272 13.00707 
1 1 1  -23   13   60 f   48.677   10.971   16.770   7.3100   17.229   15.392   16.637   8.3066   49.948   17.905   47.405   12.682 2.542976 21.94189 
1 1 1  -23   13   61 o  140.161   5.3246  136.221   10.029  133.408   15.099  138.442   13.416  138.662   8.0355  141.660   6.9884 -2.997696 10.64928 
1 1 1  -23   13   62 o  149.075   5.2883  155.090   10.590  142.024   15.596  166.270   14.426  142.946   8.0511  155.203   6.8590 -12.25696 10.57669 
1 1 1  -23   13   63 o   55.842   11.099   23.815   8.5873   22.845   10.957   25.360   13.826   54.666   14.538   57.017   16.774 -2.350494 22.19723 
1 1 1  -23   13   64 o  114.194   5.6873   92.019   8.6694   83.078   13.020   99.141   11.620  108.817   8.8292  119.571   7.1714 -10.75431 11.37468 
1 1 1  -23   13   65 o   76.055   7.9109   41.419   8.1311   39.490   11.016   43.726   12.051   74.208   10.955   77.902   11.416 -3.694054 15.82188 
1 1 1  -23   13   66 f  103.005   6.7499   72.229   9.1872   54.276   11.820   99.623   14.601   87.265   9.9955  118.744   9.0739 -31.47874 13.49983 
1 1 1  -23   13   67 o   51.249   9.9999   20.602   7.3990   26.126   10.200   14.467   10.749   58.365   13.205   44.133   15.021 14.23223 19.99980 
1 1 1  -23   13   68 o  106.110   6.7532   81.629   9.4911   88.452   12.556   72.533   14.497  112.039   8.2700  100.182   10.678 11.85751 13.50632 
1 1 1  -23   13   69 o  101.847   6.9256   74.145   9.3600   73.016   12.051   75.862   14.860  101.438   8.7667  102.257   10.724 -0.8188019 13.85129 
1 1 1  -23   13   70 o   71.002   10.434   40.635   9.7466   32.970   14.915   46.349   12.877   62.895   17.065   79.109   12.011 -16.21449 20.86811 
1 1 1  -23   13   71 o  127.931   7.5634  119.356   12.987  120.044   19.751  118.832   17.238  127.614   11.421  128.248   9.9187 -0.6336746 15.12676 
1 1 1  -23   13   72 o   45.831   15.223   16.595   11.044   0.0000   0.0000   16.595   11.044  ?   ?    45.831   15.223      ?      ? 
1 1 1  -23   13   73 o   94.007   11.251   65.417   14.333   0.0000   0.0000   65.417   14.333  ?   ?    94.007   11.251      ?      ? 
1 1 1  -23   13   74 o   43.581   15.358   14.754   11.277   0.0000   0.0000   14.754   11.277  ?   ?    43.581   15.358      ?      ? 
1 1 1  -23   14    1 o  214.352   4.8145  312.615   13.979  325.416   19.929  300.215   19.614  218.683   6.7248  210.022   6.8915 8.660706 9.628942 
1 1 1  -23   14    2 f  129.648   5.0462  114.391   8.8615  115.768   12.762  113.109   12.314  130.394   7.2225  128.902   7.0493 1.491501 10.09243 
1 1 1  -23   14    3 o  139.447   4.9747  132.336   9.3976  133.361   13.484  131.368   13.104  139.965   7.1093  138.928   6.9606 1.036484 9.949430 
1 1 1  -23   14    4 o  144.067   4.9767  141.431   9.7052  135.450   13.837  147.221   13.616  141.047   7.2395  147.087   6.8310 -6.039841 9.953489 
1 1 1  -23   14    5 o  134.897   5.0344  123.383   9.1832  131.557   13.541  116.420   12.496  139.012   7.1879  130.782   7.0510 8.230148 10.06887 
1 1 1  -23   14    6 o  130.885   5.1347  115.557   8.6957  113.094   10.745  120.230   14.803  128.972   6.1480  132.798   8.2257 -3.826050 10.26932 
1 1 1  -23   14    7 o  161.862   5.0044  177.267   10.322  175.243   12.578  181.442   18.065  160.578   5.7800  163.146   8.1712 -2.568649 10.00888 
1 1 1  -23   14    8 o  191.210   5.5648  249.451   14.257  251.403   18.848  246.839   21.798  192.168   7.2378  190.252   8.4547 1.916046 11.12961 
1 1 1  -23   14    9 o  170.746   5.5525  194.951   12.712  173.967   16.571  224.957   19.815  159.812   7.6515  181.679   8.0484 -21.86707 11.10504 
1 1 1  -23   14   10 o  133.648   5.4016  127.644   9.1026  141.073   11.368  103.651   15.195  144.073   5.8228  123.224   9.0996 20.84923 10.80311 
1 1 1  -23   14   11 o  166.914   4.9798  181.167   10.529  167.340   12.591  213.315   19.199  156.905   5.9218  176.922   8.0079 -20.01683 9.959647 
1 1 1  -23   14   12 o  165.835   5.2226  192.342   10.901  202.031   13.357  173.015   18.865  172.422   5.7166  159.248   8.7419 13.17455 10.44516 
1 1 1  -23   14   13 o  140.791   5.2193  134.891   9.4454  134.723   11.640  135.214   16.161  140.772   6.1020  140.810   8.4694 -0.3759766E-01 10.43864 
1 1 1  -23   14   14 o  166.398   5.9070  188.199   13.320  188.199   13.320   0.0000   0.0000  166.398   5.9070  ?   ?       ?      ? 
1 1 1  -23   14   15 o  186.722   5.7612  236.945   14.578  236.945   14.578   0.0000   0.0000  186.722   5.7612  ?   ?       ?      ? 
1 1 1  -23   14   16 o  158.817   5.1078  170.654   10.377  168.542   12.689  174.918   18.029  157.464   5.9466  160.170   8.3063 -2.706589 10.21556 
1 1 1  -23   14   17 o  134.419   5.2112  120.586   9.0649  115.163   11.147  131.174   15.576  130.134   6.3211  138.704   8.2866 -8.570389 10.42233 
1 1 1  -23   14   18 o  136.964   5.3013  128.428   9.3451  129.936   11.572  125.603   15.845  138.238   6.1772  135.690   8.6172 2.548279 10.60253 
1 1 1  -23   14   19 o  138.643   5.1812  127.275   9.3173  119.164   11.450  143.175   16.031  132.367   6.3831  144.919   8.1630 -12.55144 10.36237 
1 1 1  -23   14   20 o  141.708   5.2327  136.355   9.5627  135.456   11.812  138.066   16.290  141.141   6.1758  142.275   8.4489 -1.134018 10.46541 
1 1 1  -23   14   21 o  132.841   5.3736  120.153   9.2586  119.994   11.529  120.441   15.538  132.821   6.4053  132.861   8.6298 -0.3977966E-01 10.74718 
1 1 1  -23   14   22 o  210.839   5.3586  309.098   14.234  320.795   17.392  285.364   24.774  217.230   5.9080  204.448   8.9418 12.78178 10.71725 
1 1 1  -23   14   23 o  364.752   6.3462  939.817   28.483  989.080   34.326  830.918   51.036  381.261   6.6439  348.243   10.815 33.01831 12.69238 
1 1 1  -23   14   24 o  262.609   5.4893  466.630   17.948  461.527   21.441  478.575   32.806  260.524   6.0732  264.694   9.1458 -4.170746 10.97859 
1 1 1  -23   14   25 o  160.063   5.8915  175.810   12.699  188.037   17.434  161.992   18.533  166.100   7.7456  154.026   8.8793 12.07356 11.78292 
1 1 1  -23   14   26 o  192.004   5.4165  260.991   13.094  280.883   16.177  223.201   22.297  203.255   5.8730  180.753   9.1029 22.50211 10.83305 
1 1 1  -23   14   27 o  140.096   5.4382  134.468   9.8427  136.105   12.242  131.475   16.553  141.438   6.3871  138.754   8.8034 2.683624 10.87636 
1 1 1  -23   14   28 o   69.059   7.2634   32.418   6.7473   30.753   8.9260   34.639   10.307   67.037   9.8256   71.081   10.700 -4.044266 14.52680 
1 1 1  -23   14   29 o  175.399   5.3742  214.343   12.014  224.363   14.874  195.535   20.378  181.622   6.0434  169.176   8.8886 12.44522 10.74847 
1 1 1  -23   14   30 o  199.528   5.2718  267.769   13.404  261.062   16.283  281.872   23.610  195.894   6.1337  203.162   8.5758 -7.267960 10.54354 
1 1 1  -23   14   31 o   82.740   10.002   46.896   11.214   46.896   11.214   0.0000   0.0000   82.740   10.002  ?   ?       ?      ? 
1 1 1  -23   14   32 o  133.062   5.9465  120.346   10.650  116.225   14.159  125.717   16.164  130.501   8.0063  135.624   8.7946 -5.123688 11.89309 
1 1 1  -23   14   33 o  262.004   6.0622  477.902   20.957  515.884   27.403  424.396   32.525  275.073   7.3514  248.936   9.6415 26.13631 12.12441 
1 1 1  -23   14   34 o  294.966   7.3719  598.907   29.345  538.625   41.605  658.582   41.395  279.951   10.967  309.980   9.8544 -30.02948 14.74378 
1 1 1  -23   14   35 o   91.561   10.931   57.636   13.563   57.636   13.563   0.0000   0.0000   91.561   10.931  ?   ?       ?      ? 
1 1 1  -23   14   36 o  171.019   5.5208  197.132   11.945  192.666   14.423  206.888   21.316  168.200   6.3278  173.839   9.0485 -5.638763 11.04152 
1 1 1  -23   14   37 o  198.759   5.5239  277.935   13.844  294.038   17.031  246.574   23.768  207.818   6.0475  189.700   9.2457 18.11771 11.04786 
1 1 1  -23   14   38 o  143.798   5.6464  144.107   10.462  151.088   13.110  131.867   17.360  148.898   6.4971  138.699   9.2365 10.19919 11.29270 
1 1 1  -23   14   39 o  220.836   5.4654  334.534   15.229  336.820   18.476  329.690   26.894  222.363   6.1314  219.309   9.0493 3.053406 10.93087 
1 1 1  -23   14   40 o  109.799   6.4366   86.674   9.0573   99.241   11.663   67.582   14.376  120.567   7.1385   99.029   10.713 21.53799 12.87312 
1 1 1  -23   14   41 o  161.929   5.9994  177.637   13.075  163.124   17.296  196.986   19.972  154.344   8.2695  169.515   8.6940 -15.17090 11.99882 
1 1 1  -23   14   42 o  187.309   5.4891  240.863   13.062  242.429   15.945  237.667   22.774  188.559   6.2402  186.059   9.0323 2.500381 10.97825 
1 1 1  -23   14   43 o  152.736   5.4599  156.895   10.770  150.851   13.232  168.758   18.537  148.665   6.5682  156.806   8.7236 -8.140579 10.91985 
1 1 1  -23   14   44 o   71.629   7.9250   34.577   7.2821   24.402   9.3933   49.904   11.529   58.194   12.296   85.065   10.001 -26.87048 15.84994 
1 1 1  -23   14   45 o   44.137   10.600   12.898   6.8914   10.439   14.411   13.627   7.8467   44.595   17.068   43.679   12.576 0.9160728 21.20086 
1 1 1  -23   14   46 o   95.761   9.3332   64.553   12.000   61.902   18.003   66.673   16.097   93.740   14.172   97.782   12.148 -4.041893 18.66638 
1 1 1  -23   14   47 o  119.625   8.1503   99.397   13.178  102.927   19.470   96.413   17.902  121.495   11.826  117.754   11.219 3.740753 16.30063 
1 1 1  -23   14   48 o  107.444   5.7185   77.799   8.2086   88.486   12.999   70.711   10.586  113.390   8.4597  101.498   7.6967 11.89120 11.43705 
1 1 1  -23   14   49 o   75.243   6.9381   38.144   6.9454   44.936   11.199   33.898   8.8537   80.458   10.271   70.028   9.3298 10.43011 13.87614 
1 1 1  -23   14   50 o   99.217   6.1768   70.627   7.9446   55.937   12.336   81.039   10.385   89.733   10.144  108.701   7.0501 -18.96855 12.35362 
1 1 1  -23   14   51 o   80.017   6.8196   44.295   7.2318   45.102   11.532   43.772   9.2840   80.423   10.582   79.611   8.6055 0.8115234 13.63916 
1 1 1  -23   14   52 o  113.407   5.6225   89.495   8.4881   83.702   13.044   93.749   11.178  109.988   8.7518  116.825   7.0609 -6.837173 11.24500 
1 1 1  -23   14   53 o   76.689   6.8680   39.187   6.9801   50.840   11.370   32.139   8.8425   85.420   9.8226   67.958   9.6017 17.46156 13.73593 
1 1 1  -23   14   54 o   70.822   8.5494   35.801   7.9431   29.089   10.809   43.680   11.712   62.818   13.121   78.826   10.964 -16.00856 17.09873 
1 1 1  -23   14   55 o   93.719   8.8228   58.104   10.780   81.517   18.564   46.192   13.242  106.811   12.825   80.627   12.119 26.18413 17.64554 
1 1 1  -23   14   56 o  119.384   7.2009  101.328   10.165   97.403   19.760  102.741   11.853  116.729   12.492  122.039   7.1672 -5.309814 14.40177 
1 1 1  -23   14   57 f   92.100   6.3217   59.525   7.7467   57.324   12.023   61.087   10.130   90.360   9.8183   93.840   7.9660 -3.480019 12.64338 
1 1 1  -23   14   58 o   91.645   6.2943   57.232   7.7123   68.553   12.171   49.635   9.9695   98.973   9.0743   84.318   8.7252 14.65578 12.58852 
1 1 1  -23   14   59 o  144.767   5.2998  147.328   10.241  129.797   15.237  161.775   13.832  136.454   8.2399  153.080   6.6676 -16.62627 10.59964 
1 1 1  -23   14   60 o   69.336   7.8263   33.110   6.9889   46.882   11.255   24.467   8.9165   81.287   10.217   57.384   11.858 23.90299 15.65266 
1 1 1  -23   14   61 o   57.175   13.462   24.911   10.258   24.911   10.258   0.0000   0.0000   57.175   13.462  ?   ?       ?      ? 
1 1 1  -23   14   62 f   35.751   9.4253   6.7724   6.6200   12.967   9.0435  -0.3788   9.7170   42.002   13.768   29.500   12.876 12.50182 18.85069 
1 1 1  -23   14   63 o   57.427   9.4124   25.758   7.2039   29.468   9.6898   21.174   10.771   62.787   11.822   52.068   14.649 10.71909 18.82475 
1 1 1  -23   14   64 o   37.355   8.5570   4.9722   6.7592   20.858   9.2982 -12.8296   9.8430   52.002   13.178   22.709   10.919 29.29369 17.11397 
1 1 1  -23   14   65 o   63.679   9.3088   30.344   7.6836   25.750   9.9546   37.115   12.085   57.813   13.019   69.545   13.308 -11.73174 18.61765 
1 1 1  -23   14   66 o   41.131   10.207   12.351   7.0210   12.806   9.3426   11.761   10.642   41.445   14.004   40.818   14.853 0.6268692 20.41413 
1 1 1  -23   14   67 o   51.537   10.163   21.418   7.4271   23.993   9.8412   18.011   11.320   55.410   13.280   47.665   15.389 7.744877 20.32667 
1 1 1  -23   14   68 o   33.313   10.079   2.7426   8.0172   1.2448   12.598   3.7619   10.393   33.613   14.667   33.013   13.827 0.5998688 20.15705 
1 1 1  -23   14   69 o   31.699   13.532   2.3515   10.274   0.0000   0.0000   2.3515   10.274  ?   ?    31.699   13.532      ?      ? 
1 1 1  -23   14   70 o   53.226   15.678   23.442   12.072   0.0000   0.0000   23.442   12.072  ?   ?    53.226   15.678      ?      ? 
1 1 1  -23   14   71 o   47.445   15.648   18.342   11.676   0.0000   0.0000   18.342   11.676  ?   ?    47.445   15.648      ?      ? 
1 1 1  -23   14   72 o   25.695   12.099  -8.6690   10.867   0.0000   0.0000  -8.6690   10.867  ?   ?    25.695   12.099      ?      ? 
1 1 1  -23   15    1 o  174.439   4.8794  207.342   11.533  202.711   16.229  212.068   16.393  172.465   6.9439  176.413   6.8570 -3.948029 9.758898 
1 1 1  -23   15    2 o  141.576   5.8622  136.651   10.834  137.939   17.943  135.911   13.592  141.947   9.3280  141.204   7.1030 0.7421417 11.72448 
1 1 1  -23   15    3 o   89.556   7.1429   55.797   8.2183   52.377   13.819   57.668   10.222   87.221   11.692   91.891   8.2092 -4.669319 14.28579 
1 1 1  -23   15    4 o   68.564   8.5034   27.521   7.4135   64.124   13.168   10.533   8.9703   96.714   10.047   40.413   13.722 56.30164 17.00683 
1 1 1  -23   15    5 o  122.041   7.4450  101.563   12.313   0.0000   0.0000  101.563   12.313  ?   ?   122.041   7.4450      ?      ? 
1 1 1  -23   15    6 o  142.962   6.8785  143.189   12.967  122.745   19.890  158.301   17.100  133.673   10.980  152.251   8.2882 -18.57889 13.75704 
1 1 1  -23   15    7 o  150.975   5.5127  154.742   11.090  151.419   14.355  159.660   17.465  149.062   7.1064  152.887   8.4297 -3.824570 11.02547 
1 1 1  -23   15    8 o  124.667   5.6892  105.248   9.4831  101.240   12.337  111.037   14.826  121.851   7.4713  127.482   8.5819 -5.631393 11.37846 
1 1 1  -23   15    9 o  122.727   5.6666  101.187   9.3162   92.829   12.115  113.277   14.572  116.662   7.6635  128.792   8.3494 -12.13046 11.33319 
1 1 1  -23   15   10 o  160.733   5.5495  178.268   11.812  186.771   15.382  166.048   18.439  165.589   6.8547  155.878   8.7293 9.711472 11.09901 
1 1 1  -23   15   11 o  134.552   5.6267  122.572   10.123  117.880   13.170  129.346   15.824  131.496   7.3910  137.609   8.4859 -6.112976 11.25333 
1 1 1  -23   15   12 o  142.907   7.3446  139.215   14.223  139.215   14.223   0.0000   0.0000  142.907   7.3446  ?   ?       ?      ? 
1 1 1  -23   15   13 o  158.361   5.5443  164.606   11.594  144.116   14.537  200.421   19.219  145.396   7.3778  171.326   8.2780 -25.93050 11.08860 
1 1 1  -23   15   14 o  126.018   5.8213  106.797   9.8173   98.788   12.737  118.519   15.409  120.333   7.8109  131.703   8.6338 -11.37064 11.64267 
1 1 1  -23   15   15 o  129.008   5.7981  112.799   10.025  108.338   13.124  119.049   15.533  126.027   7.6845  131.988   8.6844 -5.961479 11.59614 
1 1 1  -23   15   16 o  145.153   5.6425  142.267   10.956  134.826   14.240  153.063   17.153  140.615   7.4729  149.691   8.4560 -9.075546 11.28491 
1 1 1  -23   15   17 f  144.023   5.6686  140.308   10.930  133.840   14.252  149.549   17.034  140.093   7.5069  147.953   8.4958 -7.860443 11.33724 
1 1 1  -23   15   18 f  127.671   5.7963  109.412   9.9336   97.789   13.005  125.692   15.392  119.691   8.0178  135.651   8.3729 -15.96051 11.59269 
1 1 1  -23   15   19 o   55.994   9.0953   22.521   6.8494   16.138   9.5701   29.225   9.8074   47.780   13.926   64.207   11.703 -16.42752 18.19063 
1 1 1  -23   15   20 o   91.744   6.6305   57.015   8.1797   48.058   11.011   68.045   12.219   83.754   9.7014   99.733   9.0407 -15.97842 13.26095 
1 1 1  -23   15   21 o  150.706   5.2515  148.413   10.218  135.077   12.436  176.120   17.925  140.837   6.5161  160.575   8.2374 -19.73790 10.50305 
1 1 1  -23   15   22 o  169.849   5.7972  196.996   13.272  196.461   17.860  197.656   19.833  169.661   7.7682  170.036   8.6074 -0.3753204 11.59450 
1 1 1  -23   15   23 o   96.461   7.0329   63.724   9.1859   67.281   13.250   60.433   12.746   99.058   9.8708   93.864   10.021 5.193596 14.06571 
1 1 1  -23   15   24 o  169.414   5.3937  198.710   11.647  204.614   14.350  187.316   19.936  173.373   6.1079  165.454   8.8916 7.919067 10.78736 
1 1 1  -23   15   25 o  158.592   5.5120  176.026   11.126  185.337   13.783  158.612   18.849  164.990   6.1647  152.194   9.1392 12.79587 11.02399 
1 1 1  -23   15   26 o   83.307   6.6803   45.857   7.3959   38.894   9.4082   57.121   11.966   75.350   9.2138   91.264   9.6753 -15.91407 13.36064 
1 1 1  -23   15   27 o   67.196   7.7698   30.963   6.8783   27.282   9.0419   36.020   10.597   62.040   11.165   72.353   10.808 -10.31342 15.53961 
1 1 1  -23   15   28 o  151.582   6.3533  156.538   13.051  156.538   13.051   0.0000   0.0000  151.582   6.3533  ?   ?       ?      ? 
1 1 1  -23   15   29 o  102.428   7.4451   71.636   10.334   71.636   10.334   0.0000   0.0000  102.428   7.4451  ?   ?       ?      ? 
1 1 1  -23   15   30 o  123.284   5.6556  102.447   9.1027   98.620   11.339  109.383   15.266  120.228   6.9597  126.340   8.9166 -6.112289 11.31117 
1 1 1  -23   15   31 o  162.179   5.3361  175.331   11.102  166.735   13.511  193.202   19.481  156.401   6.3748  167.957   8.5590 -11.55583 10.67215 
1 1 1  -23   15   32 o  110.870   5.9529   83.870   8.6332   82.989   10.849   85.390   14.256  110.231   7.2627  111.510   9.4341 -1.278763 11.90580 
1 1 1  -23   15   33 o  188.752   5.5840  253.635   13.284  274.500   16.465  214.725   22.485  200.702   6.0540  176.802   9.3848 23.89946 11.16801 
1 1 1  -23   15   34 f  226.389   5.3664  333.787   15.186  309.690   17.970  393.977   28.401  213.123   6.2221  239.655   8.7451 -26.53186 10.73271 
1 1 1  -23   15   35 o   98.920   6.4297   68.263   8.3402   71.848   10.706   62.729   13.301  102.466   7.7105   95.375   10.291 7.090630 12.85932 
1 1 1  -23   15   36 o   78.338   7.1313   41.242   7.4686   35.721   9.6532   49.476   11.788   71.998   9.8939   84.679   10.273 -12.68055 14.26263 
1 1 1  -23   15   37 o   49.478   9.7512   17.579   6.7450   16.861   8.9982   18.501   10.190   48.349   13.312   50.607   14.252 -2.258587 19.50233 
1 1 1  -23   15   38 o   80.206   10.929   44.331   10.495   51.194   20.213   41.799   12.279   82.857   18.473   77.556   11.684 5.301331 21.85787 
1 1 1  -23   15   39 o  182.782   7.4618  228.317   17.723  241.824   29.968  221.052   21.978  186.371   11.866  179.193   9.0509 7.177780 14.92363 
1 1 1  -23   15   40 o  145.217   6.3326  143.579   12.378  123.371   16.607  168.838   18.567  133.797   9.1595  156.638   8.7470 -22.84068 12.66511 
1 1 1  -23   15   41 o   61.951   10.464   28.172   8.7187   33.563   12.533   23.116   12.137   67.816   14.097   56.087   15.468 11.72902 20.92806 
1 1 1  -23   15   42 o   38.003   14.766   6.9500   10.904   6.9500   10.904   0.0000   0.0000   38.003   14.766  ?   ?       ?      ? 
1 1 1  -23   15   43 o   53.350   9.2968   17.039   7.0543   6.7894   8.6956   36.770   12.065   35.406   13.327   71.293   12.966 -35.88738 18.59355 
1 1 1  -23   15   44 o   83.250   8.7702   47.843   9.8941   47.843   9.8941   0.0000   0.0000   83.250   8.7702  ?   ?       ?      ? 
1 1 1  -23   15   45 o   96.635   7.9673   64.305   10.433   64.305   10.433   0.0000   0.0000   96.635   7.9673  ?   ?       ?      ? 
1 1 1  -23   15   46 o  110.488   6.0522   81.821   8.7364   75.421   10.818   93.822   14.814  104.685   7.6255  116.292   9.4004 -11.60752 12.10438 
1 1 1  -23   15   47 o   99.922   6.5337   69.902   8.4934   71.607   10.701   66.999   13.963  101.935   7.7466   97.908   10.524 4.026672 13.06741 
1 1 1  -23   15   48 o  108.089   6.0323   80.304   8.5384   78.642   10.726   83.179   14.108  106.857   7.4069  109.320   9.5233 -2.462639 12.06465 
1 1 1  -23   15   49 o   81.712   7.4692   46.435   8.1158   35.322   10.966   59.893   12.068   70.751   11.438   92.673   9.6093 -21.92207 14.93847 
1 1 1  -23   15   50 o  104.938   7.8959   76.676   10.984   82.749   17.710   72.879   14.003  107.898   12.112  101.977   10.133 5.921707 15.79174 
1 1 1  -23   15   51 o  125.652   6.6813  106.808   10.167  118.428   19.759  102.623   11.857  129.339   11.273  121.966   7.1741 7.372696 13.36254 
1 1 1  -23   15   52 o   92.453   6.2155   59.508   7.6685   60.021   11.941   59.148   10.004   92.568   9.5190   92.338   7.9949 0.2303314 12.43101 
1 1 1  -23   15   53 f   39.867   10.038   10.866   6.8205   1.9441   13.727   13.791   7.8594   36.486   15.610   43.249   12.625 -6.762760 20.07598 
1 1 1  -23   15   54 o   97.897   7.8752   67.746   8.9649   69.312   18.106   67.237   10.318   97.397   13.718   98.397   7.7383 -0.9995956 15.75042 
1 1 1  -23   15   55 o  105.739   5.8155   77.703   8.2205   79.902   12.782   76.152   10.735  106.774   8.8338  104.703   7.5660 2.071159 11.63097 
1 1 1  -23   15   56 o   95.315   7.0771   64.656   9.0654   66.494   12.187   62.380   13.565   97.144   9.2572   93.487   10.707 3.657379 14.15421 
1 1 1  -23   15   57 o   73.480   8.1860   38.899   8.1329   37.563   11.069   40.466   11.989   72.216   11.311   74.744   11.836 -2.528610 16.37210 
1 1 1  -23   15   58 o   72.084   8.6095   37.869   8.1218   30.214   10.891   47.457   12.190   63.033   13.175   81.135   11.087 -18.10198 17.21909 
1 1 1  -23   15   59 o  119.561   8.3056  100.522   13.457  100.522   13.457   0.0000   0.0000  119.561   8.3056  ?   ?       ?      ? 
1 1 1  -23   15   60 o  118.891   6.4563   97.320   10.167   86.788   12.838  115.034   16.650  110.867   8.5451  126.915   9.6808 -16.04804 12.91264 
1 1 1  -23   15   61 o   84.812   7.5278   51.641   8.5437   49.421   11.143   54.809   13.308   82.981   9.9096   86.644   11.334 -3.662842 15.05552 
1 1 1  -23   15   62 o   67.119   9.3707   34.491   8.1621   32.731   10.813   36.822   12.444   65.444   12.650   68.794   13.828 -3.350372 18.74141 
1 1 1  -23   15   63 o   86.537   7.4257   53.109   8.6033   45.200   11.204   64.474   13.431   78.885   10.481   94.190   10.522 -15.30471 14.85137 
1 1 1  -23   15   64 f   45.073   9.7524   15.518   7.1776   23.733   9.8524   6.2264   10.478   54.966   13.358   35.180   14.213 19.78572 19.50480 
1 1 1  -23   15   65 o   35.156   10.319   5.3267   7.9373   4.1190   12.948   6.0539   10.046   35.775   15.229   34.538   13.930 1.236366 20.63885 
1 1 1  -23   15   66 o   63.377   14.629   32.398   12.310   0.0000   0.0000   32.398   12.310  ?   ?    63.377   14.629      ?      ? 
1 1 1  -23   15   67 o   82.856   12.123   51.683   13.611   0.0000   0.0000   51.683   13.611  ?   ?    82.856   12.123      ?      ? 
1 1 1  -23   15   68 o   32.155   13.763   2.6380   10.678   0.0000   0.0000   2.6380   10.678  ?   ?    32.155   13.763      ?      ? 
1 1 1  -23   15   69 o   68.867   14.461   38.457   13.066   0.0000   0.0000   38.457   13.066  ?   ?    68.867   14.461      ?      ? 
1 1 1  -23   15   70 o  106.502   11.309   85.159   16.322   0.0000   0.0000   85.159   16.322  ?   ?   106.502   11.309      ?      ? 
1 1 1  -23   16    1 o   96.176   5.7935   63.349   7.5487   61.751   10.531   65.037   10.826   94.931   8.1863   97.421   8.2002 -2.490685 11.58702 
1 1 1  -23   16    2 o   61.209   10.168   28.356   7.9173   21.625   14.730   31.090   9.3888   55.271   17.524   67.148   10.318 -11.87643 20.33625 
1 1 1  -23   16    3 o   53.785   10.641   20.426   7.4027   21.004   14.532   20.224   8.6026   54.603   17.416   52.968   12.232 1.634663 21.28191 
1 1 1  -23   16    4 o   65.310   7.7309   29.934   6.6691   29.178   9.7752   30.592   9.1218   63.974   11.707   66.645   10.100 -2.671143 15.46175 
1 1 1  -23   16    5 o  119.314   5.5290   97.197   8.9290  103.781   12.946   91.224   12.331  123.168   7.7565  115.459   7.8813 7.708961 11.05791 
1 1 1  -23   16    6 o  179.406   5.1589  211.192   11.570  198.431   13.721  242.594   21.524  170.654   5.9331  188.157   8.4413 -17.50267 10.31784 
1 1 1  -23   16    7 o  135.259   5.6206  120.861   9.4655  114.679   11.211  136.210   17.665  129.681   6.3794  140.837   9.2556 -11.15567 11.24113 
1 1 1  -23   16    8 o  151.623   5.4921  160.548   10.325  165.848   12.442  148.829   18.503  156.028   5.8846  147.218   9.2749 8.810226 10.98413 
1 1 1  -23   16    9 o  133.545   6.1847  121.560   11.193  121.560   11.193   0.0000   0.0000  133.545   6.1847  ?   ?       ?      ? 
1 1 1  -23   16   10 o  111.822   6.5520   85.289   9.9284   85.289   9.9284   0.0000   0.0000  111.822   6.5520  ?   ?       ?      ? 
1 1 1  -23   16   11 o   53.973   8.9012   19.824   6.2485   15.944   7.8207   26.672   10.390   47.095   12.168   60.850   12.995 -13.75477 17.80248 
1 1 1  -23   16   12 o   47.887   9.4697   16.041   6.2498   14.592   7.9373   18.405   10.138   45.173   12.528   50.600   14.204 -5.427719 18.93946 
1 1 1  -23   16   13 o  113.175   5.5547   83.290   8.1863   73.159   10.038  103.408   14.145  103.499   7.1570  122.851   8.4968 -19.35188 11.10935 
1 1 1  -23   16   14 o  134.464   5.4997  124.329   9.4599  125.727   11.640  121.611   16.235  135.796   6.3254  133.133   8.9988 2.662949 10.99946 
1 1 1  -23   16   15 o  154.786   5.2675  159.135   10.343  151.208   12.448  176.820   18.592  148.943   6.1672  160.628   8.5413 -11.68484 10.53505 
1 1 1  -23   16   16 o  141.199   5.5158  138.931   9.8554  143.922   12.085  129.019   17.030  145.312   6.1369  137.086   9.1670 8.226013 11.03155 
1 1 1  -23   16   17 o  183.084   5.2788  226.617   12.109  222.625   14.517  235.743   21.952  180.760   5.9264  185.407   8.7372 -4.646881 10.55751 
1 1 1  -23   16   18 o  117.595   5.6951   93.074   8.6172   89.751   10.550   99.737   14.937  114.669   6.7892  120.520   9.1458 -5.851379 11.39028 
1 1 1  -23   16   19 o   49.922   9.3991   17.665   6.3820   16.175   8.2517   19.883   10.068   47.418   12.619   52.426   13.933 -5.007420 18.79829 
1 1 1  -23   16   20 o   67.498   8.7519   32.462   7.7363   24.692   10.827   40.568   11.058   58.327   13.896   76.669   10.643 -18.34240 17.50380 
1 1 1  -23   16   21 o   55.291   8.4889   20.170   6.4432   10.773   8.3107   34.328   10.201   40.069   13.201   70.513   10.676 -30.44405 16.97771 
1 1 1  -23   16   22 o   93.551   6.2740   59.062   7.7319   55.951   9.7344   64.379   12.726   90.392   7.9469   96.710   9.7107 -6.318245 12.54793 
1 1 1  -23   16   23 o   94.464   6.3318   60.434   7.8211   58.140   9.7643   64.539   13.064   92.150   7.8192   96.777   9.9612 -4.626625 12.66351 
1 1 1  -23   16   24 o   81.233   7.4581   45.440   8.1903   41.289   11.275   50.077   11.917   77.285   10.766   85.180   10.324 -7.895912 14.91610 
1 1 1  -23   16   25 o   60.737   9.5577   26.774   7.6689   28.622   10.852   24.930   10.839   62.935   13.148   58.539   13.875 4.396084 19.11530 
1 1 1  -23   16   26 o  101.405   9.1336   70.731   12.551   70.731   12.551   0.0000   0.0000  101.405   9.1336  ?   ?       ?      ? 
1 1 1  -23   16   27 o   98.913   6.9510   67.504   9.2911   67.776   12.691   67.190   13.639   99.196   9.4413   98.630   10.204 0.5652008 13.90205 
1 1 1  -23   16   28 o  126.304   6.3255  110.931   10.704  124.059   14.734   96.258   15.577  134.478   8.0851  118.131   9.7304 16.34730 12.65108 
1 1 1  -23   16   29 o  130.359   6.2507  115.912   10.985  101.265   14.844  133.648   16.333  121.289   9.0311  139.430   8.6444 -18.14137 12.50145 
1 1 1  -23   16   30 o  162.340   5.9141  179.231   12.916  166.625   17.064  196.142   19.765  155.799   8.0822  168.881   8.6363 -13.08243 11.82826 
1 1 1  -23   16   31 o  118.248   6.5539   97.206   10.392  111.755   14.578   82.179   14.816  127.493   8.4381  109.002   10.031 18.49054 13.10775 
1 1 1  -23   16   32 o   61.006   8.8863   27.943   7.0809   33.656   9.2595   19.897   10.989   69.769   9.7935   52.243   14.831 17.52600 17.77266 
1 1 1  -23   16   33 o   95.849   6.3969   63.101   8.0788   62.237   10.260   64.513   13.106   95.181   7.9543   96.518   10.021 -1.337326 12.79383 
1 1 1  -23   16   34 o   91.465   6.5962   57.305   7.9818   55.569   10.170   60.091   12.880   89.852   8.3523   93.078   10.212 -3.226433 13.19234 
1 1 1  -23   16   35 o   70.354   8.0144   35.725   7.2415   38.774   9.4934   31.483   11.199   74.881   9.3555   65.826   13.015 9.055130 16.02886 
1 1 1  -23   16   36 o   57.805   9.9391   24.623   7.7077   24.414   11.065   24.820   10.743   57.527   14.264   58.083   13.845 -0.5559998 19.87811 
1 1 1  -23   16   37 o   94.741   6.3446   60.406   8.0019   53.754   10.215   70.970   12.873   88.260   8.5407  101.223   9.3848 -12.96335 12.68929 
1 1 1  -23   16   38 o   59.899   8.5748   24.382   6.7872   16.734   8.7075   36.222   10.835   47.840   13.064   71.959   11.111 -24.11900 17.14959 
1 1 1  -23   16   39 o  110.979   6.1649   86.186   8.8872   88.958   11.198   81.468   14.608  113.765   7.2636  108.194   9.9633 5.570808 12.32988 
1 1 1  -23   16   40 o  136.368   5.5679  118.869   9.7727  100.434   11.783  159.509   17.494  120.860   7.1940  151.876   8.5001 -31.01572 11.13579 
1 1 1  -23   16   41 o   72.177   7.8694   34.687   7.3008   27.334   9.0737   48.187   12.295   61.487   11.306   82.867   10.949 -21.38071 15.73889 
1 1 1  -23   16   42 f  100.830   7.5998   70.123   10.384   70.123   10.384   0.0000   0.0000  100.830   7.5998  ?   ?       ?      ? 
1 1 1  -23   16   43 o  118.543   6.0716   99.286   9.1851  103.278   11.378   91.817   15.562  122.530   6.8525  114.555   10.025 7.974983 12.14313 
1 1 1  -23   16   44 o   84.488   6.9168   49.783   7.6813   49.299   9.7326   50.582   12.508   84.265   8.5231   84.711   10.896 -0.4452209 13.83362 
1 1 1  -23   16   45 o   87.535   8.9732   53.894   10.323   59.029   17.078   50.937   12.959   90.261   13.962   84.808   11.276 5.452988 17.94641 
1 1 1  -23   16   46 o   80.820   9.1490   49.311   9.1639   73.400   13.198   26.888   12.734  102.369   9.5139   59.271   15.630 43.09826 18.29795 
1 1 1  -23   16   47 o   38.347   9.3700   9.0579   6.5682   15.701   8.7258   0.3729   9.9771   45.958   13.270   30.736   13.232 15.22268 18.73993 
1 1 1  -23   16   48 o   69.572   9.5350   36.403   8.7211   46.632   12.316   26.115   12.351   80.895   11.235   58.250   15.409 22.64477 19.07005 
1 1 1  -23   16   49 o   97.193   9.9633   66.739   13.123   66.739   13.123   0.0000   0.0000   97.193   9.9633  ?   ?       ?      ? 
1 1 1  -23   16   50 f   24.532   11.201  -4.5090   8.2849  -4.5090   8.2849   0.0000   0.0000   24.532   11.201  ?   ?       ?      ? 
1 1 1  -23   16   51 f   62.169   11.030   30.539   9.1405   28.250   14.837   31.940   11.604   59.481   17.341   64.858   13.636 -5.376793 22.06003 
1 1 1  -23   16   52 o   36.450   10.510   5.4689   7.9091   7.3528   13.212   4.4168   9.8735   39.323   15.934   33.576   13.711 5.746490 21.02094 
1 1 1  -23   16   53 o   48.619   9.9699   18.369   7.0804   21.787   9.5639   14.223   10.532   53.313   13.286   43.925   14.869 9.387848 19.93985 
1 1 1  -23   16   54 o   87.055   7.5130   55.851   8.5879   62.488   11.351   46.965   13.133   94.008   8.9101   80.101   12.099 13.90745 15.02597 
1 1 1  -23   16   55 o   92.041   6.9369   58.691   8.5165   49.215   10.964   73.106   13.523   82.995   9.7484  101.087   9.8716 -18.09129 13.87372 
1 1 1  -23   16   56 o   48.926   10.351   18.598   7.3245   17.481   9.6089   20.147   11.316   47.413   13.993   50.440   15.256 -3.027122 20.70162 
1 1 1  -23   16   57 o   44.046   14.005   14.893   9.4035   14.893   9.4035   0.0000   0.0000   44.046   14.005  ?   ?       ?      ? 
1 1 1  -23   16   58 o   93.255   7.2302   62.778   8.9440   62.308   11.534   63.486   14.165   93.426   9.1101   93.084   11.230 0.3420563 14.46038 
1 1 1  -23   16   59 o   50.918   10.069   21.296   7.6377   27.660   10.056   12.619   11.741   59.803   12.795   42.034   15.552 17.76920 20.13901 
1 1 1  -23   16   60 o   62.683   10.173   33.770   9.4687   12.616   14.445   49.707   12.538   43.240   16.942   82.125   11.266 -38.88483 20.34546 
1 1 1  -23   16   61 o   47.850   11.423   18.345   8.7187   19.320   13.386   17.627   11.490   48.764   16.759   46.935   15.525 1.828609 22.84518 
1 1 1  -23   16   62 o   38.853   9.9617   8.4758   7.9756  -5.4548   12.108   19.153   10.600   29.045   13.365   48.662   14.776 -19.61734 19.92344 
1 1 1  -23   16   63 o   48.396   10.894   17.611   8.4518   28.731   12.931   9.3181   11.167   58.609   15.884   38.183   14.914 20.42614 21.78815 
1 1 1  -23   16   64 o   50.888   15.324   21.449   11.435   0.0000   0.0000   21.449   11.435  ?   ?    50.888   15.324      ?      ? 
1 1 1  -23   16   65 o   36.199   14.568   7.4802   10.961   0.0000   0.0000   7.4802   10.961  ?   ?    36.199   14.568      ?      ? 
1 1 1  -23   16   66 o   54.458   15.969   25.320   12.550   0.0000   0.0000   25.320   12.550  ?   ?    54.458   15.969      ?      ? 
1 1 1  -23   16   67 o   77.564   14.461   49.061   14.641   0.0000   0.0000   49.061   14.641  ?   ?    77.564   14.461      ?      ? 
1 1 1  -23   16   68 o   37.843   15.597   8.3839   12.926   0.0000   0.0000   8.3839   12.926  ?   ?    37.843   15.597      ?      ? 
1 1 1  -23   17    1 o   98.908   5.9540   67.668   7.9463   73.728   11.137   61.384   11.341  103.529   7.9383   94.288   8.8760 9.240105 11.90798 
1 1 1  -23   17    2 o  140.120   5.1521  134.425   9.7700  129.320   13.404  140.210   14.270  137.307   7.2037  142.932   7.3676 -5.624222 10.30411 
1 1 1  -23   17    3 o  114.449   5.5029   90.044   8.5282   90.879   11.864   89.150   12.267  115.034   7.6108  113.865   7.9501 1.168999 11.00583 
1 1 1  -23   17    4 o   66.386   7.8655   31.417   6.7650   23.272   9.3942   40.191   9.7501   56.537   12.585   76.235   9.4379 -19.69820 15.73098 
1 1 1  -23   17    5 o   51.891   8.8961   19.778   6.4352   11.760   9.1301   27.694   9.0715   41.607   13.843   62.176   11.177 -20.56880 17.79215 
1 1 1  -23   17    6 o   85.365   7.5359   50.012   8.7176   50.012   8.7176   0.0000   0.0000   85.365   7.5359  ?   ?       ?      ? 
1 1 1  -23   17    7 o   99.665   6.2143   67.925   7.8375   66.945   9.4878   70.031   13.907   98.841   7.0834  100.489   10.212 -1.647499 12.42850 
1 1 1  -23   17    8 o   96.176   6.3559   64.603   7.7777   66.238   9.5619   61.408   13.371   98.306   7.1776   94.046   10.492 4.260864 12.71178 
1 1 1  -23   17    9 o  138.949   5.5102  127.794   9.5881  120.600   11.398  145.205   17.732  132.819   6.3327  145.079   9.0193 -12.25963 11.02048 
1 1 1  -23   17   10 o   95.119   6.8235   66.067   7.9573   72.071   9.6930   53.659   13.935  102.581   6.9729   87.658   11.731 14.92303 13.64696 
1 1 1  -23   17   11 o   99.939   6.2322   67.917   7.9571   66.119   9.6921   71.633   13.937   98.207   7.2827  101.671   10.116 -3.463814 12.46439 
1 1 1  -23   17   12 o  101.903   6.0694   70.244   7.9501   67.631   9.7218   75.519   13.813   99.332   7.2223  104.473   9.7565 -5.140800 12.13879 
1 1 1  -23   17   13 o   90.889   6.5222   57.529   7.6510   58.743   9.5357   55.335   12.819   92.517   7.6059   89.260   10.597 3.256783 13.04436 
1 1 1  -23   17   14 o  142.951   5.4088  135.082   9.8609  125.786   11.887  155.598   17.659  135.619   6.4680  150.283   8.6709 -14.66455 10.81752 
1 1 1  -23   17   15 o   91.408   6.2907   55.669   7.5317   50.550   9.3425   65.173   12.729   85.755   8.0394   97.061   9.6778 -11.30613 12.58139 
1 1 1  -23   17   16 f  105.268   6.0629   78.525   8.1107   83.385   10.068   69.539   13.690  110.372   6.7312  100.164   10.086 10.20794 12.12582 
1 1 1  -23   17   17 o   86.852   7.1784   51.673   8.3439   41.411   11.206   64.444   12.500   77.176   10.714   96.528   9.5561 -19.35164 14.35686 
1 1 1  -23   17   18 o   54.873   8.8725   23.220   6.5472   28.521   8.2751   14.347   10.706   64.217   9.5091   45.529   14.982 18.68851 17.74509 
1 1 1  -23   17   19 o   55.085   9.0571   20.741   6.4665   16.473   8.0402   28.558   10.882   47.594   12.357   62.577   13.245 -14.98317 18.11423 
1 1 1  -23   17   20 o  114.416   5.9920   92.266   8.6452   96.291   10.597   84.256   14.948  118.608   6.5933  110.225   10.007 8.382942 11.98398 
1 1 1  -23   17   21 o  136.158   5.4828  119.700   9.5358  106.044   11.439  150.814   17.266  124.423   6.7840  147.892   8.6151 -23.46867 10.96551 
1 1 1  -23   17   22 o  103.710   6.1764   74.977   8.2761   76.873   10.339   71.595   13.808  105.853   7.2078  101.566   10.032 4.286842 12.35287 
1 1 1  -23   17   23 f  130.411   6.5874  116.462   11.642  116.462   11.642   0.0000   0.0000  130.411   6.5874  ?   ?       ?      ? 
1 1 1  -23   17   24 o   73.941   8.8311   37.766   8.8488   37.766   8.8488   0.0000   0.0000   73.941   8.8311  ?   ?       ?      ? 
1 1 1  -23   17   25 o   75.125   8.0788   43.350   7.2610   50.850   9.1318   30.456   11.973   85.960   7.8393   64.290   14.128 21.67000 16.15753 
1 1 1  -23   17   26 o   79.111   6.9043   41.868   7.1997   37.070   9.0036   50.376   11.990   73.187   9.0782   85.036   10.405 -11.84961 13.80864 
1 1 1  -23   17   27 o  112.959   5.7937   84.815   8.5156   77.372   10.471   99.351   14.633  106.115   7.2819  119.803   9.0134 -13.68840 11.58741 
1 1 1  -23   17   28 o   35.415   9.3892   6.8062   6.2311   9.6369   8.2495   3.0458   9.5081   38.228   13.156   32.603   13.400 5.625656 18.77839 
1 1 1  -23   17   29 o  103.874   6.1018   73.287   8.2520   69.981   10.230   79.445   13.962  100.843   7.4859  106.905   9.6378 -6.062309 12.20352 
1 1 1  -23   17   30 o  109.475   5.8711   79.839   8.3746   72.728   10.315   93.590   14.344  102.798   7.4046  116.152   9.1132 -13.35355 11.74221 
1 1 1  -23   17   31 o  115.086   5.9532   92.665   8.7774   95.016   10.867   88.252   14.889  117.616   6.8178  112.556   9.7612 5.059563 11.90645 
1 1 1  -23   17   32 o   98.252   6.2086   65.008   7.9614   60.189   9.8508   74.083   13.519   93.395   7.7833  103.109   9.6751 -9.714256 12.41720 
1 1 1  -23   17   33 o  103.388   6.8491   75.040   9.5277   81.546   13.147   67.843   13.827  108.354   8.9537   98.422   10.367 9.931671 13.69827 
1 1 1  -23   17   34 o   78.908   7.8135   43.804   8.3496   42.529   11.554   45.197   12.079   77.730   10.969   80.087   11.130 -2.357170 15.62702 
1 1 1  -23   17   35 o   58.339   8.8443   24.846   6.6300   24.107   8.4213   26.051   10.753   57.571   11.197   59.108   13.693 -1.536282 17.68853 
1 1 1  -23   17   36 o   93.004   6.4930   58.858   7.8821   55.171   9.7742   65.715   13.329   89.236   8.0828   96.772   10.164 -7.536415 12.98605 
1 1 1  -23   17   37 o   59.391   8.9066   25.121   6.8033   21.570   8.6062   31.037   11.108   54.067   12.054   64.715   13.116 -10.64854 17.81317 
1 1 1  -23   17   38 o   51.490   9.2947   18.588   6.4689   13.628   8.2074   26.723   10.511   43.154   12.979   59.827   13.308 -16.67243 18.58934 
1 1 1  -23   17   39 o   95.176   7.7575   62.796   10.005   62.796   10.005   0.0000   0.0000   95.176   7.7575  ?   ?       ?      ? 
1 1 1  -23   17   40 o   87.218   13.477   55.275   15.929   55.275   15.929   0.0000   0.0000   87.218   13.477  ?   ?       ?      ? 
1 1 1  -23   17   41 o   50.223   10.400   19.034   7.5429   21.025   10.900   17.203   10.449   52.534   14.721   47.913   14.695 4.620831 20.79999 
1 1 1  -23   17   42 o   38.573   9.1199   8.8155   6.0235   2.4620   8.0265   17.007   9.1137   29.606   12.254   47.540   13.510 -17.93383 18.23984 
1 1 1  -23   17   43 o   50.819   8.2394   16.454   6.3401   4.3056   8.1596   34.963   10.072   31.548   12.613   70.089   10.604 -38.54090 16.47878 
1 1 1  -23   17   44 o   71.258   8.5283   37.603   7.9319   40.835   10.732   33.712   11.775   75.722   10.459   66.794   13.473 8.928192 17.05658 
1 1 1  -23   17   45 o   58.064   9.0949   26.320   7.5995   40.853   10.532   10.531   10.977   75.734   10.262   40.394   15.019 35.33934 18.18982 
1 1 1  -23   17   46 o   98.194   7.2648   64.715   8.9378   36.899   11.362  109.874   14.477   71.340   11.753  125.049   8.5430 -53.70910 14.52950 
1 1 1  -23   17   47 o   61.046   9.1257   29.161   7.5529   40.771   10.456   16.493   10.922   75.516   10.218   46.576   15.123 28.93992 18.25144 
1 1 1  -23   17   48 o   51.622   9.5004   19.803   7.0961   10.878   9.5738   30.683   10.571   39.611   14.130   63.633   12.703 -24.02238 19.00078 
1 1 1  -23   17   49 o   56.545   10.470   26.623   8.9625   11.225   13.844   37.732   11.759   42.492   16.603   70.598   12.761 -28.10690 20.94024 
1 1 1  -23   17   50 o   86.291   7.3255   53.706   8.4203   53.945   10.984   53.365   13.113   87.019   9.3149   85.564   11.309 1.454689 14.65106 
1 1 1  -23   17   51 o   97.391   6.8537   65.789   8.8925   55.918   11.385   81.232   14.241   88.429   9.5008  106.354   9.8808 -17.92486 13.70749 
1 1 1  -23   17   52 o   78.912   7.8591   45.986   8.2453   48.825   10.920   42.221   12.575   82.425   9.7768   75.398   12.307 7.027130 15.71815 
1 1 1  -23   17   53 o   56.640   9.5944   24.267   7.3561   16.955   9.6545   34.386   11.358   46.494   14.098   66.785   13.018 -20.29091 19.18888 
1 1 1  -23   17   54 o   45.736   13.886   16.404   9.3615   16.404   9.3615   0.0000   0.0000   45.736   13.886  ?   ?       ?      ? 
1 1 1  -23   17   55 o   61.412   17.186   31.930   14.866   31.930   14.866   0.0000   0.0000   61.412   17.186  ?   ?       ?      ? 
1 1 1  -23   17   56 o   76.368   13.724   45.675   13.681   0.0000   0.0000   45.675   13.681  ?   ?    76.368   13.724      ?      ? 
1 1 1  -23   17   58 o   46.893   17.011   17.590   13.942   17.590   13.942   0.0000   0.0000   46.893   17.011  ?   ?       ?      ? 
1 1 1  -23   17   59 o   47.932   11.290   17.720   9.0005   27.427   13.383   9.7046   12.162   56.780   16.446   39.083   15.472 17.69668 22.57931 
1 1 1  -23   17   60 o   59.072   10.136   29.286   9.2588   10.903   13.565   45.319   12.669   40.772   16.277   77.372   12.083 -36.59939 20.27119 
1 1 1  -23   17   61 o   59.449   11.368   30.408   9.4010   27.565   14.272   32.587   12.495   56.100   17.168   62.797   14.906 -6.697227 22.73624 
1 1 1  -23   17   62 o   35.882   14.888   6.4396   11.887   0.0000   0.0000   6.4396   11.887  ?   ?    35.882   14.888      ?      ? 
1 1 1  -23   17   63 o   84.780   12.716   55.791   14.609   0.0000   0.0000   55.791   14.609  ?   ?    84.780   12.716      ?      ? 
1 1 1  -23   17   64 o   77.574   14.194   49.241   14.371   0.0000   0.0000   49.241   14.371  ?   ?    77.574   14.194      ?      ? 
1 1 1  -23   17   65 o   98.981   12.233   76.210   16.408   0.0000   0.0000   76.210   16.408  ?   ?    98.981   12.233      ?      ? 
1 1 1  -23   17   66 o   56.989   16.403   29.325   13.351   0.0000   0.0000   29.325   13.351  ?   ?    56.989   16.403      ?      ? 
1 1 1  -23   18    1 o   75.912   6.8010   40.159   6.9620   34.978   9.5649   45.997   10.153   70.629   9.9934   81.195   9.2273 -10.56640 13.60192 
1 1 1  -23   18    2 o   76.773   10.618   49.580   8.9073   54.548   10.163   33.120   18.499   88.639   8.4609   64.907   19.478 23.73283 21.23597 
1 1 1  -23   18    3 o   72.797   10.670   43.851   9.0137   48.591   10.440   29.977   17.863   83.484   9.2285   62.110   19.241 21.37353 21.33921 
1 1 1  -23   18    4 o   64.384   8.3008   30.542   6.9093   42.478   9.8918   19.171   9.6549   78.039   9.3536   50.729   13.716 27.30952 16.60159 
1 1 1  -23   18    5 o  111.013   5.8254   85.895   8.7060   94.597   12.123   76.626   12.511  117.025   7.6443  105.001   8.7924 12.02357 11.65088 
1 1 1  -23   18    6 f   98.064   6.2612   64.413   7.6943   60.710   9.1541   73.324   14.202   93.859   7.1971  102.270   10.248 -8.411530 12.52248 
1 1 1  -23   18    7 o   99.973   6.4516   70.571   7.8751   71.994   9.3670   67.140   14.544  102.317   6.7557   97.629   10.993 4.687706 12.90325 
1 1 1  -23   18    8 o   49.550   9.5342   17.701   6.1674   17.093   7.3367   19.166   11.387   48.298   11.394   50.803   15.290 -2.505081 19.06833 
1 1 1  -23   18    9 o   28.270   8.5240   0.7378   5.4967   0.8366   6.7559   0.5444   9.4542   26.244   11.078   30.296   12.958 -4.052362 17.04797 
1 1 1  -23   18   10 o   54.542   8.7334   21.831   6.0336   21.820   7.3888   21.853   10.453   55.002   10.291   54.082   14.113 0.9204712 17.46672 
1 1 1  -23   18   11 f   55.683   8.7160   21.727   6.1163   19.386   7.4544   26.549   10.699   51.586   10.999   59.779   13.524 -8.192730 17.43197 
1 1 1  -23   18   12 o   62.730   7.8524   25.388   6.2228   19.762   7.4877   37.951   11.189   52.106   10.952   73.354   11.256 -21.24837 15.70477 
1 1 1  -23   18   13 f   48.364   9.8837   16.763   6.8817   12.873   9.1340   21.868   10.466   42.630   13.830   54.098   14.124 -11.46848 19.76731 
1 1 1  -23   18   14 o   31.364   9.0631   2.0469   6.4398   7.1480   8.7296  -4.0435   9.5387   35.556   13.359   27.172   12.251 8.383940 18.12618 
1 1 1  -23   18   15 o   47.693   9.5041   17.087   6.3177   18.504   7.8495   14.482   10.645   50.195   11.748   45.192   14.943 5.003525 19.00828 
1 1 1  -23   18   16 o  105.481   5.9664   74.861   8.0534   70.509   9.7632   84.126   14.246  101.173   7.1210  109.789   9.5751 -8.616180 11.93278 
1 1 1  -23   18   17 o   74.409   7.1144   36.566   6.9360   30.514   8.5724   48.039   11.803   66.117   9.5677   82.702   10.532 -16.58497 14.22871 
1 1 1  -23   18   18 o  110.299   6.1097   87.683   8.4488   94.107   10.408   75.270   14.468  117.015   6.5635  103.582   10.307 13.43312 12.21941 
1 1 1  -23   18   19 o   65.213   8.0354   29.390   6.7267   26.314   8.3744   34.983   11.293   61.280   10.085   69.145   12.513 -7.865055 16.07074 
1 1 1  -23   18   20 o  104.103   7.0427   74.670   9.9354   74.670   9.9354   0.0000   0.0000  104.103   7.0427  ?   ?       ?      ? 
1 1 1  -23   18   21 o   99.104   7.1640   67.724   9.6212   67.724   9.6212   0.0000   0.0000   99.104   7.1640  ?   ?       ?      ? 
1 1 1  -23   18   22 o   87.564   6.8357   55.117   7.5447   58.118   9.2863   49.290   12.941   91.725   7.4709   83.404   11.450 8.320953 13.67134 
1 1 1  -23   18   23 o   49.023   9.3421   17.875   6.1922   18.144   7.7260   17.392   10.354   49.627   11.682   48.419   14.582 1.208488 18.68429 
1 1 1  -23   18   24 o   26.017   8.1742  -3.5848   5.6353  -6.6788   7.0826   1.7532   9.3031   21.069   9.8718   30.965   13.031 -9.895603 16.34843 
1 1 1  -23   18   25 o   39.519   9.6332   10.360   6.0493   9.6808   7.5121   11.613   10.203   37.499   12.558   41.539   14.611 -4.039734 19.26635 
1 1 1  -23   18   26 o   56.422   9.0426   24.389   6.6743   27.206   8.2984   19.228   11.232   62.249   9.8373   50.596   15.176 11.65357 18.08522 
1 1 1  -23   18   27 o   70.497   7.4879   33.350   6.9517   27.843   8.6710   43.258   11.631   62.872   10.177   78.122   10.986 -15.24956 14.97572 
1 1 1  -23   18   28 o   48.107   9.4670   16.536   6.3254   13.200   8.0874   21.791   10.151   42.475   12.908   53.740   13.852 -11.26501 18.93392 
1 1 1  -23   18   29 o   62.775   8.2936   26.544   6.7269   19.177   8.3914   39.792   11.252   50.732   12.327   74.817   11.098 -24.08546 16.58721 
1 1 1  -23   18   30 o   60.053   9.9579   27.359   7.9584   27.884   10.996   26.781   11.533   60.815   13.674   59.292   14.479 1.523792 19.91571 
1 1 1  -23   18   31 o   64.165   9.5848   30.816   8.0721   26.905   11.060   35.273   11.808   59.566   13.948   68.764   13.151 -9.197617 19.16966 
1 1 1  -23   18   32 o   54.365   9.5035   22.583   6.8100   23.521   8.5391   20.944   11.288   56.421   11.557   52.308   15.090 4.113319 19.00706 
1 1 1  -23   18   33 o   70.114   8.8293   36.847   8.0299   42.131   10.855   30.462   11.933   77.035   10.399   63.193   14.272 13.84232 17.65852 
1 1 1  -23   18   34 o   64.881   9.1754   32.224   7.7978   38.355   10.460   24.554   11.699   73.416   10.514   56.346   15.040 17.06982 18.35089 
1 1 1  -23   18   35 o   39.789   10.798   9.3147   8.0454   9.7401   12.767   9.0345   10.362   41.062   15.971   38.515   14.537 2.547134 21.59646 
1 1 1  -23   18   36 o   51.097   11.243   19.574   8.5854   24.793   13.258   15.805   11.267   56.081   16.404   46.114   15.379 9.966347 22.48628 
1 1 1  -23   18   37 o   58.696   12.851   26.073   9.9384   26.073   9.9384   0.0000   0.0000   58.696   12.851  ?   ?       ?      ? 
1 1 1  -23   18   38 o   33.920   9.5101   5.6267   6.5253   6.8496   8.8532   4.1723   9.6552   34.778   13.362   33.063   13.536 1.714539 19.02029 
1 1 1  -23   18   39 o   31.046   8.9839   0.9234   6.4386  -5.9174   8.7049   9.1868   9.5673   24.268   11.225   37.823   14.030 -13.55523 17.96772 
1 1 1  -23   18   40 o   35.235   9.2581   4.5934   6.4821  -3.1293   8.5263   15.170   9.9781   25.686   11.582   44.784   14.447 -19.09833 18.51616 
1 1 1  -23   18   41 o   45.191   10.040   15.262   6.8694   12.367   9.2050   18.899   10.320   41.124   13.901   49.259   14.492 -8.134888 20.08074 
1 1 1  -23   18   42 o   61.330   9.1207   28.307   7.2783   25.390   9.5505   32.348   11.241   57.695   12.571   64.965   13.218 -7.270264 18.24146 
1 1 1  -23   18   43 o   83.752   7.4525   48.737   8.2740   37.665   10.655   65.552   13.131   72.039   10.915   95.466   10.150 -23.42719 14.90503 
1 1 1  -23   18   44 o   58.788   9.5285   26.831   7.3818   26.671   9.8132   27.039   11.203   58.988   12.655   58.588   14.248 0.4008026 19.05704 
1 1 1  -23   18   45 o   34.363   9.3161   4.9866   6.5232  -1.6890   8.8424   12.958   9.6625   27.009   12.015   41.717   14.241 -14.70815 18.63224 
1 1 1  -23   18   46 o   52.154   10.867   22.802   8.5958   13.937   14.023   28.138   10.880   44.390   16.873   59.918   13.698 -15.52728 21.73307 
1 1 1  -23   18   47 f   53.650   8.8199   20.377   7.4116   4.6932   9.9302   40.102   11.136   33.350   13.699   73.950   11.113 -40.59918 17.63985 
1 1 1  -23   18   48 o   62.546   10.224   32.385   9.0834   17.759   13.443   44.673   12.322   47.450   16.763   77.641   11.711 -30.19067 20.44855 
1 1 1  -23   18   49 o   41.450   10.698   12.375   8.1117   6.2800   12.719   16.553   10.531   37.135   15.403   45.765   14.850 -8.629929 21.39572 
1 1 1  -23   18   50 o   38.377   10.554   9.3934   7.8406   7.3479   12.555   10.701   10.039   37.733   15.441   39.021   14.392 -1.287952 21.10746 
1 1 1  -23   18   51 o   56.732   10.946   25.105   9.0866   39.734   13.989   14.429   11.951   69.918   15.198   43.547   15.756 26.37143 21.89175 
1 1 1  -23   18   52 o   53.420   16.978   24.248   13.821   24.248   13.821   0.0000   0.0000   53.420   16.978  ?   ?       ?      ? 
1 1 1  -23   18   53 o   41.517   11.127   12.416   8.5669   11.886   13.120   12.809   11.311   41.504   16.177   41.531   15.283 -0.2756882E-01 22.25453 
1 1 1  -23   18   54 o   39.646   10.753   10.489   8.4396   4.0599   12.912   15.285   11.152   35.337   15.129   43.955   15.286 -8.618523 21.50695 
1 1 1  -23   18   55 o   43.422   11.241   14.480   8.5554   16.248   13.175   13.191   11.250   45.152   16.512   41.692   15.256 3.459904 22.48112 
1 1 1  -23   18   56 o   47.525   11.622   18.524   9.0415   22.080   13.885   15.906   11.914   50.591   17.072   44.460   15.772 6.130718 23.24302 
1 1 1  -23   18   57 o   38.359   10.506   7.9831   8.7336  -4.1158   13.038   17.829   11.762   30.425   13.951   46.292   15.713 -15.86714 21.01267 
1 1 1  -23   18   58 o   34.223   10.293   3.7138   8.3525   8.8062   12.733  -0.1326   11.066   38.126   15.569   30.319   13.466 7.806725 20.58503 
1 1 1  -23   18   59 o   56.537   15.894   27.846   12.685   0.0000   0.0000   27.846   12.685  ?   ?    56.537   15.894      ?      ? 
1 1 1  -23   18   60 f   52.478   16.016   24.313   12.431   0.0000   0.0000   24.313   12.431  ?   ?    52.478   16.016      ?      ? 
1 1 1  -23   18   61 o   48.714   16.062   21.067   12.302   0.0000   0.0000   21.067   12.302  ?   ?    48.714   16.062      ?      ? 
1 1 1  -23   18   62 o   82.240   12.958   54.192   14.441   0.0000   0.0000   54.192   14.441  ?   ?    82.240   12.958      ?      ? 
1 1 1  -23   18   63 o   39.951   15.715   12.598   12.473   0.0000   0.0000   12.598   12.473  ?   ?    39.951   15.715      ?      ? 
1 1 1  -23   18   64 o   46.769   17.125   20.738   14.178   0.0000   0.0000   20.738   14.178  ?   ?    46.769   17.125      ?      ? 
1 1 1  -23   19    1 o   88.317   7.5122   57.327   8.6346   48.860   13.589   63.060   11.182   81.929   12.240   94.705   8.7128 -12.77661 15.02434 
1 1 1  -23   19    2 o   93.702   7.0758   62.200   8.7490   63.344   14.097   61.483   11.158   93.907   11.078   93.498   8.8062 0.4082489 14.15168 
1 1 1  -23   19    3 o   86.263   8.2644   57.180   8.7659   42.314   13.761   67.332   11.372   74.566   14.136   97.960   8.5665 -23.39388 16.52871 
1 1 1  -23   19    4 o   69.423   9.2639   37.191   8.1433   30.812   13.175   41.134   10.359   62.751   15.568   76.095   10.046 -13.34414 18.52785 
1 1 1  -23   19    5 o  119.715   7.5141  102.575   12.035   83.367   16.762  123.015   17.291  107.592   11.497  131.837   9.6784 -24.24469 15.02812 
1 1 1  -23   19    6 o  131.195   6.2310  114.874   10.603  101.520   12.944  142.110   18.486  120.632   7.9183  141.757   9.6230 -21.12454 12.46200 
1 1 1  -23   19    7 o  109.095   6.7041   74.794   9.3481   53.417   11.285  121.546   16.688   86.939   9.5785  131.252   9.3827 -44.31337 13.40826 
1 1 1  -23   19    8 o   69.207   8.6891   32.265   7.6865   23.642   9.4599   49.018   13.186   55.998   12.752   82.417   11.807 -26.41847 17.37821 
1 1 1  -23   19    9 o   89.356   7.3383   57.305   8.4121   58.490   10.434   55.104   14.218   91.415   8.4228   87.297   12.019 4.118317 14.67663 
1 1 1  -23   19   10 o   99.747   8.4039   72.181   11.292   66.384   16.374   77.438   15.593   95.500   12.652  103.994   11.064 -8.493591 16.80774 
1 1 1  -23   19   11 o  102.830   8.0285   75.729   11.144   78.118   16.600   73.769   15.035  104.087   11.769  101.573   10.923 2.513565 16.05690 
1 1 1  -23   19   12 o   82.290   7.5278   48.026   8.1370   47.208   10.290   49.390   13.294   81.855   9.2764   82.725   11.858 -0.8702469 15.05554 
1 1 1  -23   19   13 o   92.942   7.1072   61.675   8.6908   63.129   11.136   59.409   13.899   94.888   8.6607   90.995   11.271 3.893471 14.21439 
1 1 1  -23   19   14 o   88.363   7.1719   54.229   8.4145   49.752   10.707   61.462   13.608   83.978   9.4082   92.747   10.827 -8.768845 14.34373 
1 1 1  -23   19   15 o   79.608   7.4763   44.011   7.9278   39.141   10.137   51.683   12.722   74.266   10.072   84.949   11.051 -10.68294 14.95252 
1 1 1  -23   19   16 o   93.438   7.3235   63.004   8.9094   65.720   11.318   58.578   14.447   96.810   8.6270   90.067   11.837 6.742104 14.64694 
1 1 1  -23   19   17 o  123.404   7.8752  106.205   13.170  106.205   13.170   0.0000   0.0000  123.404   7.8752  ?   ?       ?      ? 
1 1 1  -23   19   18 o  129.310   6.2980  116.235   10.638  112.632   13.294  122.650   17.739  127.143   7.7159  131.478   9.9560 -4.335632 12.59591 
1 1 1  -23   19   19 o   60.262   9.3360   26.814   7.3547   22.444   9.5861   33.068   11.467   54.344   13.157   66.180   13.249 -11.83562 18.67206 
1 1 1  -23   19   20 o   71.696   8.8240   39.792   7.9782   47.294   10.480   29.452   12.303   81.793   9.4552   61.598   14.901 20.19581 17.64805 
1 1 1  -23   19   21 o   95.078   6.9277   61.895   8.7687   51.104   11.245   78.642   14.007   84.881   9.7757  105.275   9.8186 -20.39410 13.85533 
1 1 1  -23   19   22 o   85.644   7.4723   53.681   8.3871   59.006   10.965   46.171   13.021   91.562   8.8369   79.726   12.052 11.83650 14.94464 
1 1 1  -23   19   23 o   40.078   9.7237   11.149   6.6989   15.651   8.9384   5.3807   10.118   45.467   13.515   34.689   13.983 10.77811 19.44749 
1 1 1  -23   19   24 o   34.061   8.9710   4.2014   6.6065   13.735   8.7832  -8.2204   10.026   42.913   13.524   25.209   11.790 17.70361 17.94196 
1 1 1  -23   19   25 f   38.944   9.8127   10.064   6.8111   14.304   9.1456   4.7822   10.206   43.683   13.804   34.205   13.950 9.477962 19.62545 
1 1 1  -23   19   26 o   61.357   9.2737   28.264   7.3984   26.025   9.6594   31.441   11.507   58.660   12.532   64.053   13.673 -5.392857 18.54744 
1 1 1  -23   19   27 f   47.264   11.409   16.061   8.6418   21.530   13.863   12.584   11.052   52.222   17.042   42.307   15.172 9.914993 22.81725 
1 1 1  -23   19   28 o   47.196   11.247   17.013   8.5264   15.029   13.192   18.436   11.174   45.644   16.548   48.748   15.237 -3.104431 22.49455 
1 1 1  -23   19   29 o   60.278   9.5068   27.261   7.4936   23.375   9.7358   32.909   11.738   55.141   13.204   65.415   13.681 -10.27369 19.01357 
1 1 1  -23   19   30 o   50.612   10.989   20.265   8.4332   15.528   12.404   24.337   11.500   45.715   16.107   55.508   14.953 -9.792919 21.97780 
1 1 1  -23   19   31 o   44.112   10.483   13.843   8.1143   4.2076   11.992   21.981   11.020   35.429   14.847   52.795   14.805 -17.36593 20.96688 
1 1 1  -23   19   32 o   39.008   9.7838   10.318   6.9384   15.387   9.0110   2.9364   10.874   44.793   13.628   33.224   14.041 11.56868 19.56765 
1 1 1  -23   19   33 o   73.635   9.2024   43.336   8.3708   49.814   10.614   32.678   13.615   83.572   9.3717   63.697   15.840 19.87533 18.40472 
1 1 1  -23   19   34 o   49.782   13.531   19.314   9.3676   19.314   9.3676   0.0000   0.0000   49.782   13.531  ?   ?       ?      ? 
1 1 1  -23   19   35 o   32.213   9.4075   3.8875   6.5960   3.8614   8.6204   3.9243   10.245   31.244   12.791   33.181   13.798 -1.936584 18.81492 
1 1 1  -23   19   36 f   50.935   10.008   19.639   7.1503   15.018   9.2669   26.438   11.241   44.136   13.889   57.733   14.412 -13.59742 20.01534 
1 1 1  -23   19   37 o   40.504   9.7068   9.6482   6.9471   1.4046   9.1308   20.980   10.705   29.709   12.721   51.298   14.665 -21.58851 19.41359 
1 1 1  -23   19   38 o   68.008   10.067   33.530   9.2556   57.510   14.961   18.663   11.780   87.647   12.596   48.370   15.707 39.27710 20.13373 
1 1 1  -23   19   39 o   60.110   11.171   29.529   9.0906   29.690   14.508   29.425   11.664   59.443   17.095   60.778   14.386 -1.334736 22.34289 
1 1 1  -23   19   40 o   67.315   10.480   35.279   9.2164   43.981   14.473   29.343   11.954   74.221   14.907   60.410   14.734 13.81182 20.95951 
1 1 1  -23   19   41 o   44.107   10.722   14.725   8.5463   3.5950   13.584   22.016   10.995   36.039   15.476   52.175   14.843 -16.13635 21.44374 
1 1 1  -23   19   42 o   53.775   10.944   24.287   8.7737   16.291   13.302   30.445   11.673   45.832   16.617   61.719   14.245 -15.88647 21.88739 
1 1 1  -23   19   43 o   37.142   14.549   8.4431   10.652   0.0000   0.0000   8.4431   10.652  ?   ?    37.142   14.549      ?      ? 
1 1 1  -23   19   44 o   46.683   15.190   17.537   11.017   0.0000   0.0000   17.537   11.017  ?   ?    46.683   15.190      ?      ? 
1 1 1  -23   19   45 o   59.998   10.626   30.532   8.9924   19.658   13.341   39.586   12.174   48.804   16.733   71.192   13.101 -22.38847 21.25186 
1 1 1  -23   19   46 o   53.618   10.992   24.203   8.5926   19.619   12.766   27.999   11.619   48.687   16.370   58.549   14.673 -9.862408 21.98368 
1 1 1  -23   19   47 o   44.459   9.7909   13.547   8.2396  -4.1390   12.201   28.377   11.172   29.685   13.569   59.233   14.118 -29.54767 19.58171 
1 1 1  -23   19   48 o   57.757   9.7355   26.563   9.1856   5.0785   13.029   47.792   12.952   36.057   15.311   79.458   12.029 -43.40061 19.47106 
1 1 1  -23   19   49 o   46.589   16.698   17.842   13.385   17.842   13.385   0.0000   0.0000   46.589   16.698  ?   ?       ?      ? 
1 1 1  -23   19   50 o   60.006   10.105   29.765   9.8617   6.6551   14.110   51.831   13.788   37.770   15.980   82.243   12.372 -44.47337 20.20960 
1 1 1  -23   19   51 o   46.857   11.738   18.552   9.4668   14.677   14.448   21.468   12.531   43.716   16.994   49.997   16.197 -6.280945 23.47627 
1 1 1  -23   19   52 o   46.091   11.650   17.949   9.2776   15.136   14.269   20.009   12.211   43.849   16.932   48.334   16.005 -4.485294 23.29974 
1 1 1  -23   19   53 o   54.197   12.028   26.004   9.7370   29.468   15.074   23.523   12.755   56.673   17.694   51.720   16.297 4.953045 24.05587 
1 1 1  -23   19   54 o   48.243   11.551   19.233   9.1909   28.651   14.104   12.282   12.117   56.146   17.043   40.339   15.596 15.80719 23.10168 
1 1 1  -23   19   55 o   42.272   11.519   14.344   9.2889   14.420   13.974   14.284   12.433   42.513   16.661   42.031   15.909 0.4828949 23.03709 
1 1 1  -23   19   56 o   41.833   11.009   13.089   9.4264  -0.0810   14.351   23.083   12.501   33.079   14.960   50.586   16.155 -17.50674 22.01828 
1 1 1  -23   19   57 o   34.308   14.667   5.4116   12.103   0.0000   0.0000   5.4116   12.103  ?   ?    34.308   14.667      ?      ? 
1 1 1  -23   19   58 o   51.574   16.449   24.868   12.964   0.0000   0.0000   24.868   12.964  ?   ?    51.574   16.449      ?      ? 
1 1 1  -23   19   59 o   68.317   15.705   42.104   14.235   0.0000   0.0000   42.104   14.235  ?   ?    68.317   15.705      ?      ? 
1 1 1  -23   19   60 o   31.095   13.776   2.2095   11.511   0.0000   0.0000   2.2095   11.511  ?   ?    31.095   13.776      ?      ? 
1 1 1  -23   19   61 o   50.373   16.550   25.011   13.065   0.0000   0.0000   25.011   13.065  ?   ?    50.373   16.550      ?      ? 
1 1 1  -23   20    1 o   38.327   9.9985   7.5199   7.4051  -0.4578   9.8884   17.706   11.174   29.319   12.888   47.336   15.290 -18.01726 19.99691 
1 1 1  -23   20    2 o   54.109   9.8425   21.706   7.9660   9.1511   10.616   37.885   12.051   38.100   14.634   70.117   13.167 -32.01665 19.68497 
1 1 1  -23   20    3 o   50.326   9.5922   20.213   7.9289   32.984   10.559   3.6987   12.007   65.845   12.285   34.807   14.735 31.03775 19.18433 
1 1 1  -23   20    4 o   70.207   9.7357   37.136   9.0245   25.232   11.966   52.836   13.742   55.920   15.333   84.493   12.002 -28.57279 19.47141 
1 1 1  -23   20    5 o   51.056   10.606   21.023   8.1465   26.908   11.063   14.050   12.041   58.389   14.133   43.723   15.816 14.66607 21.21100 
1 1 1  -23   20    6 o   38.810   15.203   9.0493   11.632   0.0000   0.0000   9.0493   11.632  ?   ?    38.810   15.203      ?      ? 
1 1 1  -23   20    7 o   47.682   15.951   17.858   12.119   0.0000   0.0000   17.858   12.119  ?   ?    47.682   15.951      ?      ? 
1 1 1  -23   20    8 o   59.189   10.731   27.907   8.6787   23.787   11.853   32.668   12.742   54.357   15.393   64.022   14.957 -9.665195 21.46296 
1 1 1  -23   20    9 o   57.775   10.884   26.548   8.6842   22.560   11.680   31.478   12.986   52.998   15.367   62.552   15.419 -9.553661 21.76896 
1 1 1  -23   20   10 o   33.310   9.8016   2.4626   7.7164   9.0616   10.686  -4.7262   11.154   38.153   14.675   28.467   12.997 9.685268 19.60324 
1 1 1  -23   20   11 o   37.700   10.580   7.9118   8.0605   6.9411   11.194   8.9571   11.616   36.651   14.731   38.750   15.190 -2.098713 21.15968 
1 1 1  -23   20   12 o   40.536   10.162   7.9266   8.2061  -5.0946   11.347   22.204   11.882   28.530   13.058   52.541   15.575 -24.01099 20.32399 
1 1 1  -23   20   13 o   57.219   15.489   26.418   12.304   26.418   12.304   0.0000   0.0000   57.219   15.489  ?   ?       ?      ? 
1 1 1  -23   20   14 o   42.279   15.389   12.813   11.425   12.813   11.425   0.0000   0.0000   42.279   15.389  ?   ?       ?      ? 
1 1 1  -23   20   15 o   50.549   10.836   20.157   8.3974   27.157   11.885   13.179   11.867   58.263   14.972   42.834   15.670 15.42927 21.67247 
1 1 1  -23   20   16 o   41.026   10.654   11.595   7.8956   8.0592   11.329   14.934   11.010   37.716   14.932   44.336   15.201 -6.619831 21.30828 
1 1 1  -23   20   17 o   41.233   10.691   11.908   7.8451   10.206   11.024   13.654   11.167   39.460   14.970   43.006   15.269 -3.545712 21.38300 
1 1 1  -23   20   18 o   66.660   9.8584   34.957   8.9508   19.350   12.424   51.798   12.906   49.256   16.137   84.064   11.329 -34.80753 19.71675 
1 1 1  -23   20   19 o   66.944   9.9472   35.367   9.0619   20.180   12.614   51.563   13.027   50.114   16.252   83.773   11.475 -33.65989 19.89431 
1 1 1  -23   20   20 o   61.291   10.047   29.949   8.9095   14.812   12.636   44.913   12.564   44.644   16.194   77.938   11.896 -33.29385 20.09401 
1 1 1  -23   20   21 o   55.565   10.783   25.137   8.7657   16.154   12.628   33.488   12.177   45.924   16.244   65.207   14.184 -19.28331 21.56551 
1 1 1  -23   20   22 o   35.119   10.185   5.5213   7.7300   5.3342   11.391   5.6810   10.524   35.395   14.620   34.843   14.183 0.5522690 20.36964 
1 1 1  -23   20   23 o   58.477   10.891   27.703   8.7423   28.484   12.686   26.996   12.065   59.159   15.601   57.796   15.201 1.363148 21.78172 
1 1 1  -23   20   24 o   47.769   15.092   18.131   10.933   0.0000   0.0000   18.131   10.933  ?   ?    47.769   15.092      ?      ? 
1 1 1  -23   20   25 o   48.228   14.827   18.522   10.630   0.0000   0.0000   18.522   10.630  ?   ?    48.228   14.827      ?      ? 
1 1 1  -23   20   26 o   40.841   10.681   11.795   7.8644   9.7290   11.897   13.398   10.481   39.399   15.392   42.284   14.812 -2.885326 21.36159 
1 1 1  -23   20   27 o   72.156   9.7908   41.180   9.2571   32.044   13.411   49.495   12.794   62.497   15.820   81.815   11.540 -19.31751 19.58156 
1 1 1  -23   20   28 f   42.901   10.511   13.847   7.8787   6.6963   12.144   19.044   10.353   37.000   15.168   48.802   14.555 -11.80207 21.02184 
1 1 1  -23   20   29 o   61.946   10.182   31.649   8.9679   17.733   13.176   43.658   12.240   47.268   16.606   76.624   11.788 -29.35639 20.36429 
1 1 1  -23   20   30 o   55.994   16.348   26.159   13.178   26.159   13.178   0.0000   0.0000   55.994   16.348  ?   ?       ?      ? 
1 1 1  -23   20   31 o   51.542   16.413   22.015   12.911   22.015   12.911   0.0000   0.0000   51.542   16.413  ?   ?       ?      ? 
1 1 1  -23   20   32 o   57.017   11.114   26.960   8.8581   26.139   13.114   27.648   12.013   55.874   16.307   58.160   15.106 -2.285797 22.22890 
1 1 1  -23   20   33 o   57.765   10.442   28.074   8.9053   14.215   13.084   40.037   12.155   43.724   16.369   71.807   12.969 -28.08303 20.88409 
1 1 1  -23   20   34 o   74.242   9.8198   43.252   9.6063   42.508   14.345   43.857   12.935   72.380   15.113   76.104   12.542 -3.723740 19.63952 
1 1 1  -23   20   35 o   43.455   10.850   14.676   8.1561   10.002   12.673   17.981   10.656   39.757   15.776   47.153   14.900 -7.396076 21.70026 
1 1 1  -23   20   36 o   55.808   10.343   23.170   8.5939   42.098   13.516   10.326   11.134   72.555   14.255   39.061   14.990 33.49369 20.68634 
1 1 1  -23   20   37 o   38.326   10.435   7.6148   7.8419   17.139   12.443   1.3401   10.100   46.110   16.141   30.541   13.230 15.56963 20.87009 
1 1 1  -23   20   38 o   28.585   9.0781  -3.1491   7.6230 -11.4185   11.905   2.5968   9.9240   25.923   12.340   31.247   13.318 -5.323360 18.15612 
1 1 1  -23   20   39 o   38.820   10.761   9.8786   8.1294   9.6743   13.011   10.009   10.412   39.461   15.874   38.179   14.533 1.281036 21.52210 
1 1 1  -23   20   40 o   27.512   12.404  -2.3553   9.7772   0.0000   0.0000  -2.3553   9.7772  ?   ?    27.512   12.404      ?      ? 
1 1 1  -23   20   41 o   36.983   14.415   8.9010   10.417   0.0000   0.0000   8.9010   10.417  ?   ?    36.983   14.415      ?      ? 
1 1 1  -23   20   42 o   64.396   10.847   35.910   9.3487   28.856   14.720   40.680   12.103   56.964   17.436   71.829   12.909 -14.86539 21.69446 
1 1 1  -23   20   43 o   37.778   10.013   8.8226   8.0206  -5.8815   13.344   17.140   10.036   29.890   13.851   45.666   14.463 -15.77564 20.02611 
1 1 1  -23   20   44 f   51.595   10.380   23.502   8.6931   8.3969   13.704   33.674   11.245   38.448   15.971   64.743   13.263 -26.29528 20.76032 
1 1 1  -23   20   45 o   30.789   9.6673   0.0752   7.7293   2.4690   12.947  -1.2505   9.6346   33.792   14.803   27.786   12.438 6.005592 19.33460 
1 1 1  -23   20   46 o   43.940   16.672   15.751   13.674   15.751   13.674   0.0000   0.0000   43.940   16.672  ?   ?       ?      ? 
1 1 1  -23   20   47 o   39.788   11.030   9.6315   8.8949   19.553   13.801   2.5814   11.633   47.161   16.950   32.415   14.120 14.74638 22.06073 
1 1 1  -23   20   48 o   36.959   10.244   7.3909   8.6106  -7.3669   13.669   17.099   11.087   29.155   13.677   44.762   15.255 -15.60756 20.48851 
1 1 1  -23   20   49 o   41.983   11.414   14.218   9.0145   15.255   14.261   13.528   11.633   43.015   16.839   40.951   15.415 2.064484 22.82897 
1 1 1  -23   20   50 o   34.079   10.252   0.4067   8.7922   15.575   13.740 -10.1121   11.442   42.947   16.606   25.211   12.028 17.73579 20.50451 
1 1 1  -23   20   51 o   38.624   11.200   10.461   9.2509   12.240   14.392   9.2075   12.076   40.266   16.511   36.982   15.139 3.283962 22.40082 
1 1 1  -23   20   52 o   44.945   11.621   18.603   9.4325   14.066   14.744   21.747   12.273   41.411   16.814   48.478   16.046 -7.067810 23.24162 
1 1 1  -23   20   53 o   28.958   9.5041  -3.7353   8.6885  -2.5091   13.984  -4.5061   11.088   30.915   14.275   27.001   12.552 3.914072 19.00823 
1 1 1  -23   20   54 o   21.096   10.392 -17.4175   10.541   0.0000   0.0000 -17.4175   10.541  ?   ?    21.096   10.392      ?      ? 
1 1 1  -23   20   55 o   54.734   16.363   29.149   13.073   0.0000   0.0000   29.149   13.073  ?   ?    54.734   16.363      ?      ? 
1 1 1  -23   20   56 o   45.268   16.484   20.351   13.110   0.0000   0.0000   20.351   13.110  ?   ?    45.268   16.484      ?      ? 
1 1 1  -23   20   57 o   33.591   14.488   6.6027   12.004   0.0000   0.0000   6.6027   12.004  ?   ?    33.591   14.488      ?      ? 
1 1 1  -23   20   58 o   35.682   14.923   9.9236   12.081   0.0000   0.0000   9.9236   12.081  ?   ?    35.682   14.923      ?      ? 
1 1 1  -23   21    6 o   62.122   10.856   31.103   9.3255   20.832   12.429   44.335   14.106   50.004   16.123   74.240   14.542 -24.23598 21.71209 
1 1 1  -23   21    7 o   67.956   10.334   36.972   9.2531   29.427   12.514   46.075   13.745   59.590   15.389   76.323   13.797 -16.73308 20.66822 
1 1 1  -23   21    8 o   57.321   10.557   25.583   9.0229   11.925   12.006   43.310   13.678   41.007   15.606   73.634   14.222 -32.62661 21.11488 
1 1 1  -23   21    9 o   35.963   14.577   6.9178   11.061   6.9178   11.061   0.0000   0.0000   35.963   14.577  ?   ?       ?      ? 
1 1 1  -23   21   10 o   72.938   14.113   42.402   13.445   42.402   13.445   0.0000   0.0000   72.938   14.113  ?   ?       ?      ? 
1 1 1  -23   21   11 o   70.857   10.116   40.023   9.5311   32.443   13.359   47.882   13.602   62.380   15.789   79.334   12.652 -16.95368 20.23293 
1 1 1  -23   21   12 o   73.725   10.021   43.570   9.6952   30.905   13.614   56.601   13.810   60.519   16.256   86.930   11.723 -26.41130 20.04166 
1 1 1  -23   21   13 o   64.879   10.732   34.539   9.3168   40.308   13.364   29.084   12.995   70.843   14.411   58.915   15.906 11.92807 21.46341 
1 1 1  -23   21   14 o   52.811   11.243   23.317   8.7061   24.064   12.380   22.586   12.246   53.613   15.899   52.009   15.901 1.603962 22.48577 
1 1 1  -23   21   15 o   59.667   11.173   29.784   9.2274   26.136   13.007   33.480   13.092   55.628   16.242   63.707   15.347 -8.079350 22.34585 
1 1 1  -23   21   16 f   83.359   9.5741   54.581   10.401   45.657   14.842   63.192   14.580   74.890   15.145   91.829   11.717 -16.93962 19.14828 
1 1 1  -23   21   17 o   88.301   9.1003   59.619   10.884   59.086   15.568   60.130   15.224   87.738   13.094   88.863   12.642 -1.125679 18.20066 
1 1 1  -23   21   18 o   49.962   10.691   18.096   8.9927   35.032   13.428   4.3232   12.109   65.082   15.455   34.843   14.776 30.23849 21.38241 
1 1 1  -23   21   19 o   53.697   10.771   23.949   8.9667   11.932   12.915   35.133   12.459   41.402   16.075   65.991   14.342 -24.58883 21.54264 
1 1 1  -23   21   20 o   58.518   11.249   29.009   9.1082   27.219   14.319   30.226   11.804   56.083   17.202   60.953   14.501 -4.870190 22.49894 
1 1 1  -23   21   21 o   93.551   11.147   65.110   14.131   0.0000   0.0000   65.110   14.131  ?   ?    93.551   11.147      ?      ? 
1 1 1  -23   21   22 o   54.903   11.089   25.989   9.0892   17.150   13.815   32.736   12.070   46.243   16.908   63.562   14.352 -17.31946 22.17815 
1 1 1  -23   21   23 o   58.659   11.144   28.520   9.0270   33.496   13.646   24.649   12.037   63.075   15.954   54.243   15.564 8.832249 22.28792 
1 1 1  -23   21   24 o   33.971   10.095   2.9664   7.8646   10.153   12.494  -1.7499   10.121   39.544   15.673   28.398   12.727 11.14656 20.18944 
1 1 1  -23   21   25 o   56.158   11.022   27.020   8.8218   21.881   13.479   30.872   11.668   50.669   16.818   61.648   14.252 -10.97844 22.04430 
1 1 1  -23   21   26 o   51.234   11.279   22.360   8.6916   19.968   13.585   24.018   11.309   48.703   16.875   53.764   14.970 -5.061787 22.55798 
1 1 1  -23   21   27 o   28.986   13.277  -4.2621   11.766  -4.2621   11.766   0.0000   0.0000   28.986   13.277  ?   ?       ?      ? 
1 1 1  -23   21   28 o   36.727   15.249   6.7988   12.484   6.7988   12.484   0.0000   0.0000   36.727   15.249  ?   ?       ?      ? 
1 1 1  -23   21   29 o   33.387   9.5282   2.9546   7.7279 -11.7172   12.215   12.747   9.9789   26.088   12.441   40.687   14.435 -14.59872 19.05630 
1 1 1  -23   21   30 o   39.796   10.772   11.394   8.1101   9.1901   12.861   12.848   10.450   38.714   15.709   40.877   14.742 -2.163628 21.54319 
1 1 1  -23   21   31 f   59.850   10.987   31.372   9.1988   23.630   14.121   37.079   12.124   51.837   17.214   67.864   13.656 -16.02694 21.97319 
1 1 1  -23   21   32 o   46.833   11.428   17.167   8.6406   24.973   14.223   12.601   10.878   53.032   17.260   40.634   14.982 12.39812 22.85550 
1 1 1  -23   21   33 o   31.737   9.6264   1.6535   7.8863  -8.5877   12.874   7.8051   9.9775   28.066   13.201   35.409   14.015 -7.342339 19.25288 
1 1 1  -23   21   34 o   40.166   10.752   12.052   8.2957   5.9232   13.509   15.762   10.511   36.517   15.551   43.815   14.854 -7.297562 21.50486 
1 1 1  -23   21   35 o   42.206   11.123   14.141   8.4981   12.469   13.497   15.239   10.938   41.248   16.308   43.164   15.132 -1.915947 22.24699 
1 1 1  -23   21   36 o   28.416   9.2031  -3.4121   7.9188  -8.3607   13.101  -0.5633   9.9401   28.279   13.306   28.554   12.718 -0.2757759 18.40611 
1 1 1  -23   21   37 o   49.616   15.336   21.283   11.356   0.0000   0.0000   21.283   11.356  ?   ?    49.616   15.336      ?      ? 
1 1 1  -23   21   38 o   46.806   11.825   18.605   9.1641   22.302   15.487   16.614   11.368   49.309   17.922   44.303   15.432 5.006031 23.65033 
1 1 1  -23   21   39 o   37.289   10.021   8.1456   8.3272  -8.6092   13.624   18.138   10.521   28.563   13.479   46.015   14.834 -17.45226 20.04300 
1 1 1  -23   21   40 o   42.837   10.972   15.536   8.7911   6.2215   14.542   20.900   11.036   36.777   15.904   48.898   15.119 -12.12095 21.94352 
1 1 1  -23   21   41 o   48.618   11.878   19.735   9.3460   30.886   15.640   13.541   11.656   56.416   18.076   40.821   15.415 15.59565 23.75629 
1 1 1  -23   21   42 o   47.878   12.027   19.803   9.4428   28.118   16.073   15.421   11.669   53.277   18.362   42.480   15.539 10.79714 24.05405 
1 1 1  -23   21   43 o   51.026   18.465   26.070   16.414   26.070   16.414   0.0000   0.0000   51.026   18.465  ?   ?       ?      ? 
1 1 1  -23   21   44 o   36.658   10.884   6.0623   9.0509   17.021   14.876  -0.3780   11.404   43.621   17.161   29.696   13.392 13.92488 21.76787 
1 1 1  -23   21   45 o   30.213   9.6895  -0.9475   8.7416  -8.8558   14.382   3.6856   11.008   28.650   13.617   31.776   13.789 -3.126534 19.37910 
1 1 1  -23   21   46 o   38.784   10.947   11.772   9.2521   2.0398   15.334   17.343   11.602   33.980   15.407   43.587   15.554 -9.606724 21.89316 
1 1 1  -23   21   47 o   30.944   9.8127   1.0305   8.7074  -8.1746   14.951   5.7551   10.711   29.152   13.863   32.737   13.891 -3.584433 19.62535 
1 1 1  -23   21   48 o   41.182   10.145   13.105   9.1779 -11.1362   15.040   27.489   11.585   28.040   13.486   54.324   15.160 -26.28366 20.29092 
1 1 1  -23   21   49 f   37.984   11.143   11.166   9.1376   15.469   15.023   8.6389   11.512   40.944   16.838   35.025   14.601 5.918468 22.28690 
1 1 1  -23   21   51 o   39.847   15.567   15.018   12.169   0.0000   0.0000   15.018   12.169  ?   ?    39.847   15.567      ?      ? 
1 1 1  -23   21   52 o   55.983   16.269   32.140   13.078   0.0000   0.0000   32.140   13.078  ?   ?    55.983   16.269      ?      ? 
1 1 1  -23   22   14 o   39.926   10.817   11.902   8.3776   7.4412   12.801   15.244   11.080   36.834   15.380   43.017   15.216 -6.183414 21.63475 
1 1 1  -23   22   15 o   23.912   8.1144 -12.3241   7.2424  -5.0582   11.671 -16.8743   9.2358   28.071   12.989   19.752   9.7290 8.319357 16.22879 
1 1 1  -23   22   16 f   23.562   8.0189 -11.9082   7.4769 -16.1489   11.899  -9.1412   9.6115   23.798   11.576   23.326   11.099 0.4716148 16.03785 
1 1 1  -23   22   17 o   35.166   14.096   7.6610   10.218   0.0000   0.0000   7.6610   10.218  ?   ?    35.166   14.096      ?      ? 
1 1 1  -23   22   18 f   46.529   15.277   18.539   11.133   0.0000   0.0000   18.539   11.133  ?   ?    46.529   15.277      ?      ? 
1 1 1  -23   22   19 o   42.972   10.980   15.306   8.2166   13.750   12.594   16.459   10.842   41.723   15.959   44.222   15.085 -2.499130 21.96037 
1 1 1  -23   22   20 o   40.124   10.521   12.344   8.0315   5.4160   12.342   17.434   10.578   34.923   14.868   45.326   14.891 -10.40313 21.04265 
1 1 1  -23   22   21 o   43.231   11.083   15.114   8.2345   18.793   13.063   12.688   10.607   46.361   16.509   40.100   14.793 6.261726 22.16653 
1 1 1  -23   22   22 o   29.722   9.4500  -1.4650   7.8793   2.6081   12.146  -4.4243   10.353   32.807   14.356   26.637   12.293 6.170040 18.90000 
1 1 1  -23   22   23 o   38.361   15.661   9.7832   12.878   9.7832   12.878   0.0000   0.0000   38.361   15.661  ?   ?       ?      ? 
1 1 1  -23   22   24 o   41.706   16.249   13.835   13.231   13.835   13.231   0.0000   0.0000   41.706   16.249  ?   ?       ?      ? 
1 1 1  -23   22   25 f   34.044   9.7443  -4.2206   8.0372   20.444   13.277 -18.4850   10.097   47.642   16.673   20.446   10.090 27.19558 19.48852 
1 1 1  -23   22   26 o   36.733   10.677   8.3583   8.3050   9.7023   13.694   7.5763   10.445   38.529   15.982   34.936   14.164 3.593697 21.35490 
1 1 1  -23   22   27 o   34.326   9.7920   5.4717   7.9428  -7.7403   12.821   13.701   10.118   27.883   13.133   40.769   14.528 -12.88556 19.58392 
1 1 1  -23   22   28 o   37.286   10.723   9.1841   8.3324   11.392   13.298   7.7568   10.691   39.436   15.984   35.137   14.298 4.299721 21.44592 
1 1 1  -23   22   29 o   42.198   10.568   9.1481   8.6407   30.394   14.008  -3.9010   10.978   56.933   16.919   27.464   12.669 29.46903 21.13651 
1 1 1  -23   22   30 o   32.099   10.067   0.2465   8.2843   8.9176   14.262  -4.1687   10.177   37.912   16.055   26.286   12.151 11.62631 20.13476 
1 1 1  -23   22   31 o   25.691   8.6731  -8.1998   7.6611  -9.3199   14.097  -7.7304   9.1265   28.402   13.494   22.981   10.900 5.421730 17.34616 
1 1 1  -23   22   32 o   37.459   10.540   10.330   8.3637   1.6637   14.781   14.412   10.144   33.805   15.245   41.112   14.557 -7.306332 21.07928 
1 1 1  -23   22   33 o   33.977   10.626   3.3443   8.6924   8.7158   16.522   1.2887   10.221   38.496   16.797   29.457   13.019 9.038658 21.25177 
1 1 1  -23   22   34 o   45.661   15.241   18.932   11.064   0.0000   0.0000   18.932   11.064  ?   ?    45.661   15.241      ?      ? 
1 1 1  -23   22   35 o   26.134   8.7211  -7.0303   8.0764 -16.9423   14.046  -2.1351   9.8713   25.501   12.443   26.767   12.223 -1.265366 17.44228 
1 1 1  -23   22   36 o   32.256   9.1739  -0.5550   8.3228 -31.5649   14.015   16.338   10.344   21.811   10.940   42.702   14.729 -20.89094 18.34771 
1 1 1  -23   22   37 o   42.844   11.403   17.245   9.1120   13.562   15.061   19.372   11.444   40.230   16.730   45.458   15.499 -5.228333 22.80580 
1 1 1  -23   22   38 o   28.135   9.2780  -3.4463   8.3725  -7.6523   14.657  -1.4089   10.201   28.933   13.750   27.337   12.461 1.596561 18.55597 
1 1 1  -23   22   39 o   27.522   9.2096  -6.9591   8.7745  -1.4971   14.103 -10.4088   11.208   30.864   14.280   24.181   11.633 6.682228 18.41913 
1 1 1  -23   22   40 o   46.387   17.637   22.912   15.324   22.912   15.324   0.0000   0.0000   46.387   17.637  ?   ?       ?      ? 
1 1 1  -23   22   41 o   31.919   10.035  -3.6649   8.6335   17.512   14.984 -14.1894   10.563   41.968   16.982   21.870   10.697 20.09823 20.06990 
1 1 1  -23   22   42 o   33.077   10.318   5.4638   9.0640   0.7764   15.058   8.1272   11.351   32.057   14.806   34.097   14.374 -2.039688 20.63555 
1 1 1  -23   22   43 o   31.228   10.026   2.4808   8.9280   1.9382   15.121   2.7712   11.062   32.402   14.919   30.055   13.399 2.346354 20.05260 
1 1 1  -23   22   44 o   23.318   8.0897 -13.3846   8.0721 -13.5028   14.020 -13.3260   9.8726   25.594   12.476   21.041   10.302 4.553757 16.17948 
1 1 1  -23   23   22 o   39.586   10.940   13.959   8.8145   7.7533   14.516   17.583   11.094   35.920   15.707   43.252   15.233 -7.332146 21.88046 
1 1 1  -23   23   23 o   34.203   10.426   6.2174   8.3100   11.148   14.440   3.7760   10.161   37.902   16.108   30.504   13.242 7.398237 20.85220 
1 1 1  -23   23   24 o   39.379   11.023   13.877   8.6658   11.634   14.832   15.039   10.678   38.230   16.288   40.527   14.858 -2.297058 22.04670 
1 1 1  -23   23   25 o   31.889   9.9961   3.9367   8.3259   2.2321   14.359   4.8002   10.219   32.596   14.830   31.182   13.408 1.414255 19.99219 
1 1 1  -23   23   26 o   27.592   9.1686  -4.8451   7.8879   1.9102   14.268  -7.8185   9.4660   32.287   14.725   22.897   10.928 9.390385 18.33714 
1 1 1  -23   23   27 o   29.159   9.4355   0.0417   8.0565  -1.9984   14.038   1.0436   9.8379   30.214   14.071   28.104   12.575 2.110062 18.87109 
1 1 1  -23   23   28 o   39.500   11.078   14.530   8.7056   13.177   15.043   15.212   10.675   38.731   16.449   40.270   14.842 -1.538960 22.15571 
1 1 1  -23   23   29 o   44.310   11.698   19.125   9.0590   26.943   15.473   15.047   11.175   48.736   17.883   39.884   15.086 8.852066 23.39638 
1 1 1  -23   23   30 o   27.629   12.574  -0.1723   10.332   0.0000   0.0000  -0.1723   10.332  ?   ?    27.629   12.574      ?      ? 
1 1 1  -23   23   31 o   34.237   14.194   9.0392   10.794   0.0000   0.0000   9.0392   10.794  ?   ?    34.237   14.194      ?      ? 
1 1 1  -22    0    1 o  1536.19   24.125 16064.15  501.935   0.0000   0.0000 16064.15  501.935  1536.19   24.125  1536.19   24.125 -0.000000 0.000000 
1 1 1  -22    0    2 o  1298.59   20.474 11466.35  360.095   0.0000   0.0000 11466.35  360.095  1298.59   20.474  1298.59   20.474 -0.000000 0.000000 
1 1 1  -22    0    3 o  457.262   8.5575  1418.88   52.985   0.0000   0.0000  1418.88   52.985  457.262   8.5575  457.262   8.5575 -0.000000 0.000000 
1 1 1  -22    0    4 o  979.326   15.744  6513.80  208.818   0.0000   0.0000  6513.80  208.818  979.326   15.744  979.326   15.744 -0.000000 0.000000 
1 1 1  -22    0    5 o  913.713   14.798  5669.14  183.125   0.0000   0.0000  5669.14  183.125  913.713   14.798  913.713   14.798 -0.000000 0.000000 
1 1 1  -22    0    7 o  195.561   6.0880  260.558   16.056  251.052   22.379  270.640   23.048  191.862   8.6475  199.261   8.5717 -0.000000 0.000000 
1 1 1  -22    0    8 o  799.162   13.151  4341.62  142.210  4439.44  203.834  4248.84  198.503  807.937   18.640  790.388   18.556 -0.000000 0.000000 
1 1 1  -22    0    9 o  454.895   8.4984  1404.21   52.267  1346.25   72.316  1467.59   75.627  445.063   12.010  464.728   12.027 -0.000000 0.000000 
1 1 1  -22    0   10 o  861.473   19.873  5048.66  231.716   0.0000   0.0000  5048.66  231.716  861.473   19.873  861.473   19.873 -0.000000 0.000000 
1 1 1  -22    0   11 o   86.301   10.877   52.855   12.172   0.0000   0.0000   52.855   12.172   86.301   10.877   86.301   10.877 -0.000000 0.000000 
1 1 1  -22    0   12 o  888.549   20.445  5371.72  245.885   0.0000   0.0000  5371.72  245.885  888.549   20.445  888.549   20.445 -0.000000 0.000000 
1 1 1  -22    0   13 o  463.065   8.6297  1457.22   54.067  1464.70   76.683  1449.83   76.244  464.249   12.208  461.881   12.200 -0.000000 0.000000 
1 1 1  -22    0   14 o  810.398   13.334  4466.25  146.248  4518.92  208.391  4415.14  205.295  815.107   18.889  805.689   18.826 -0.000000 0.000000 
1 1 1  -22    0   15 o  201.078   6.2531  275.243   16.921  249.682   23.458  302.974   24.433  191.268   9.0972  210.889   8.5818 -0.000000 0.000000 
1 1 1  -22    0   16 f  516.420   9.3301  1804.65   65.055  1681.58   88.637  1948.35   95.782  497.384   13.171  535.456   13.218 -0.000000 0.000000 
1 1 1  -22    0   17 o  931.808   15.102  5907.24  190.434  5798.71  266.155  6021.08  272.589  923.039   21.304  940.577   21.411 -0.000000 0.000000 
1 1 1  -22    0   18 o  974.036   15.721  6458.71  207.257  6429.34  292.296  6488.40  293.922  971.808   22.221  976.263   22.243 -0.000000 0.000000 
1 1 1  -22    0   19 o  461.806   8.6634  1448.78   54.117  1483.69   77.564  1415.66   75.541  467.234   12.269  456.378   12.234 -0.000000 0.000000 
1 1 1  -22    0   21 o  1581.82   35.215 17120.33  754.013 17120.33  754.013   0.0000   0.0000  1581.82   35.215  1581.82   35.215 -0.000000 0.000000 
1 1 1  -22    0   22 o  750.110   17.717  3826.95  179.867  3826.95  179.867   0.0000   0.0000  750.110   17.717  750.110   17.717 -0.000000 0.000000 
1 1 1  -22    0   23 o  855.687   14.021  4982.54  162.391  4968.61  229.301  4996.57  230.012  854.485   19.827  856.888   19.832 -0.000000 0.000000 
1 1 1  -22    0   24 o  469.581   8.7869  1498.16   55.814  1532.59   79.964  1465.44   77.940  474.849   12.446  464.313   12.407 -0.000000 0.000000 
1 1 1  -22    0   25 o  1059.48   17.006  7648.46  243.869  7609.85  343.895  7687.52  345.880  1056.78   24.042  1062.17   24.058 -0.000000 0.000000 
1 1 1  -22    0   26 o  120.447   7.1367  101.086   11.355   88.124   16.205  113.588   15.915  112.448   10.867  128.446   9.2536 -0.000000 0.000000 
1 1 1  -22    0   27 o  707.876   11.940  3408.30  114.391  3411.12  162.022  3405.50  161.527  708.165   16.905  707.586   16.867 -0.000000 0.000000 
1 1 1  -22    0   28 o  946.754   15.367  6099.42  196.820  5917.05  273.082  6296.57  283.925  932.037   21.647  961.471   21.817 -0.000000 0.000000 
1 1 1  -22    0   29 o  207.360   6.5497  293.564   18.301  280.070   26.003  306.806   25.761  202.567   9.5208  212.153   8.9972 -0.000000 0.000000 
1 1 1  -22    0   30 o  371.832   7.7244  939.908   38.838  951.869   55.612  928.520   54.263  374.138   10.990  369.525   10.857 -0.000000 0.000000 
1 1 1  -22    0   31 o  261.470   6.8175  464.902   24.065  481.476   34.841  449.781   33.278  265.931   9.6972  257.009   9.5852 -0.000000 0.000000 
1 1 1  -22    0   32 o  1372.64   21.771 12890.44  404.390 12619.06  563.975 13177.60  580.155  1357.81   30.686  1387.48   30.890 -0.000000 0.000000 
1 1 1  -22    0   33 f  239.210   6.7550  390.049   21.807  384.399   31.194  395.449   30.496  237.482   9.7302  240.938   9.3724 -0.000000 0.000000 
1 1 1  -22    0   34 o  480.586   9.0135  1570.52   58.599  1586.36   83.750  1555.32   82.020  482.954   12.817  478.217   12.677 -0.000000 0.000000 
1 1 1  -22    0   35 o  748.788   17.743  3818.19  179.810   0.0000   0.0000  3818.19  179.810  748.788   17.743  748.788   17.743 -0.000000 0.000000 
1 1 1  -22    0   36 o  476.811   12.621  1546.44   81.420   0.0000   0.0000  1546.44   81.420  476.811   12.621  476.811   12.621 -0.000000 0.000000 
1 1 1  -22    0   37 o  662.196   11.401  2985.43  102.166  3001.08  145.478  2970.21  143.510  663.898   16.192  660.495   16.055 -0.000000 0.000000 
1 1 1  -22    0   38 o  813.366   19.076  4510.45  209.994   0.0000   0.0000  4510.45  209.994  813.366   19.076  813.366   19.076 -0.000000 0.000000 
1 1 1  -22    0   40 o  339.302   10.810  783.706   49.591  783.706   49.591   0.0000   0.0000  339.302   10.810  339.302   10.810 -0.000000 0.000000 
1 1 1  -22    0   41 o  636.531   11.072  2758.79   95.344  2816.92  137.042  2704.25  132.735  643.019   15.748  630.043   15.568 -0.000000 0.000000 
1 1 1  -22    0   42 f  425.607   12.042  1233.09   69.328  1233.09   69.328   0.0000   0.0000  425.607   12.042  425.607   12.042 -0.000000 0.000000 
1 1 1  -22    0   43 o  254.837   9.9744  442.768   34.326  442.768   34.326   0.0000   0.0000  254.837   9.9744  254.837   9.9744 -0.000000 0.000000 
1 1 1  -22    0   44 o  587.495   10.430  2351.95   82.916  2350.98  117.892  2352.89  116.640  587.357   14.833  587.633   14.668 -0.000000 0.000000 
1 1 1  -22    0   45 o  552.914   9.9841  2083.06   74.693  2083.50  106.240  2082.63  105.033  552.954   14.199  552.874   14.040 -0.000000 0.000000 
1 1 1  -22    0   46 o   92.556   10.341   65.577   10.934   46.049   16.213   81.870   14.809   76.739   17.936  108.373   10.297 -0.000000 0.000000 
1 1 1  -22    0   47 o  265.266   6.9823  479.302   24.989  487.164   36.383  472.282   34.382  267.298   10.077  263.233   9.6680 -0.000000 0.000000 
1 1 1  -22    0   48 o  455.425   8.8086  1413.32   54.264  1395.54   77.028  1430.84   76.457  452.549   12.582  458.302   12.331 -0.000000 0.000000 
1 1 1  -22    0   49 f  267.135   7.0117  486.416   25.273  489.628   36.696  483.519   34.859  267.939   10.140  266.331   9.6875 -0.000000 0.000000 
1 1 1  -22    0   50 o  414.833   8.3439  1172.85   46.810  1154.60   66.523  1190.75   65.879  411.598   11.949  418.068   11.649 -0.000000 0.000000 
1 1 1  -22    0   51 o  146.662   7.1591  146.782   13.994  161.511   21.203  135.412   18.628  153.163   10.323  140.161   9.9218 -0.000000 0.000000 
1 1 1  -22    0   52 o  212.701   6.8617  308.916   19.639  313.080   28.844  305.317   26.816  213.989   9.9964  211.414   9.4022 -0.000000 0.000000 
1 1 1  -22    0   53 f  144.625   9.6134  143.936   18.650   0.0000   0.0000  143.936   18.650  144.625   9.6134  144.625   9.6134 -0.000000 0.000000 
1 1 1  -22    0   54 o  297.019   10.034  601.473   40.283   0.0000   0.0000  601.473   40.283  297.019   10.034  297.019   10.034 -0.000000 0.000000 
1 1 1  -22    0   55 o  264.627   7.1051  478.047   25.360  475.589   36.800  480.270   34.997  263.923   10.325  265.331   9.7633 -0.000000 0.000000 
1 1 1  -22    0   56 o  169.762   7.0919  198.272   16.113  193.501   23.744  202.345   21.938  167.727   10.542  171.796   9.4894 -0.000000 0.000000 
1 1 1  -22    0   57 o  477.060   9.1394  1552.64   58.956  1582.76   85.041  1524.76   81.805  481.486   13.055  472.633   12.794 -0.000000 0.000000 
1 1 1  -22    0   58 o  285.473   7.3107  556.667   28.160  548.595   40.718  564.067   38.985  283.419   10.636  287.527   10.033 -0.000000 0.000000 
1 1 1  -22    0   59 o  416.957   12.185  1187.02   68.714  1187.02   68.714   0.0000   0.0000  416.957   12.185  416.957   12.185 -0.000000 0.000000 
1 1 1  -22    0   60 o  543.820   14.245  2022.57  104.817  2022.57  104.817   0.0000   0.0000  543.820   14.245  543.820   14.245 -0.000000 0.000000 
1 1 1  -22    0   61 f  250.418   7.1656  428.242   24.179  434.212   35.414  423.029   33.093  251.999   10.411  248.837   9.8489 -0.000000 0.000000 
1 1 1  -22    0   62 o  393.222   8.2659  1056.33   43.938  1043.01   62.845  1069.07   61.454  390.736   11.894  395.708   11.482 -0.000000 0.000000 
1 1 1  -22    0   63 f  248.319   7.4110  424.462   24.656  372.817   35.241  473.979   34.507  233.182   11.212  263.457   9.6951 -0.000000 0.000000 
1 1 1  -22    0   64 o  523.127   9.7988  1872.84   69.327  1878.95   99.520  1867.08   96.629  523.888   14.041  522.366   13.672 -0.000000 0.000000 
1 1 1  -22    0   65 o  210.528   7.2319  300.628   20.390  331.743   31.059  277.062   27.030  220.009   10.472  201.046   9.9774 -0.000000 0.000000 
1 1 1  -22    0   66 o  454.195   8.9638  1407.58   54.981  1471.99   80.679  1351.73   75.127  463.832   12.858  444.559   12.493 -0.000000 0.000000 
1 1 1  -22    0   67 o  151.679   7.4783  158.341   15.135  165.404   22.654  152.648   20.341  154.663   10.934  148.694   10.205 -0.000000 0.000000 
1 1 1  -22    0   68 o   55.324   14.597   27.594   10.146   33.470   15.810   23.480   13.229   61.120   21.165   49.528   20.109 -0.000000 0.000000 
1 1 1  -22    0   69 o   84.770   13.852   52.855   14.637   0.0000   0.0000   52.855   14.637   84.770   13.852   84.770   13.852 -0.000000 0.000000 
1 1 1  -22    0   70 o   31.829   18.096   9.1820   12.145   0.0000   0.0000   9.1820   12.145   31.829   18.096   31.829   18.096 -0.000000 0.000000 
1 1 1  -22    0   71 o  177.266   7.2931  215.159   17.277  227.889   26.197  205.361   22.983  181.807   10.718  172.725   9.8931 -0.000000 0.000000 
1 1 1  -22    0   72 o  113.542   8.6553   90.710   12.760   94.211   19.838   88.240   16.664  115.084   13.166  111.999   11.239 -0.000000 0.000000 
1 1 1  -22    0   73 o  256.909   7.2739  452.078   25.159  463.546   37.205  442.416   34.150  259.818   10.607  254.001   9.9562 -0.000000 0.000000 
1 1 1  -22    0   74 o  382.143   8.2572  1002.00   42.621  1032.13   62.085  975.142   58.615  387.505   11.848  376.781   11.504 -0.000000 0.000000 
1 1 1  -22    0   75 o   37.118   20.574   13.517   15.207   13.517   15.207   0.0000   0.0000   37.118   20.574   37.118   20.574 -0.000000 0.000000 
1 1 1  -22    0   76 o  134.482   8.1212  123.141   14.249  161.709   22.217   96.188   18.573  152.451   10.881  116.513   12.059 -0.000000 0.000000 
1 1 1  -22    0   77 o  105.140   8.8474   78.459   12.052   85.747   18.405   72.987   15.947  109.360   12.889  100.919   12.124 -0.000000 0.000000 
1 1 1  -22    0   78 o  215.411   7.1413  319.910   20.685  326.516   30.521  314.299   28.132  217.350   10.417  213.473   9.7712 -0.000000 0.000000 
1 1 1  -22    0   79 o   76.743   11.756   45.279   10.602   56.620   16.374   37.091   13.913   86.491   15.435   66.996   17.737 -0.000000 0.000000 
1 1 1  -22    0   80 o   45.347   12.884   20.828   9.3441   7.8650   14.498   30.039   12.221   31.486   18.900   59.208   17.515 -0.000000 0.000000 
1 1 1  -22    0   81 o   62.599   13.510   33.716   9.9386   38.478   15.323   30.258   13.058   66.833   19.486   58.366   18.717 -0.000000 0.000000 
1 1 1  -22    0   82 o   62.478   13.869   33.280   10.277   44.259   16.543   26.380   13.115   72.404   19.508   52.551   19.718 -0.000000 0.000000 
1 1 1  -22    0   83 o   20.650   13.819  -3.1610   10.721   0.0000   0.0000  -3.1610   10.721   20.650   13.819   20.650   13.819 -0.000000 0.000000 
1 1 1  -22    0   84 o   46.108   19.457   21.611   12.272   0.0000   0.0000   21.611   12.272   46.108   19.457   46.108   19.457 -0.000000 0.000000 
1 1 1  -22    0   85 o   78.120   14.509   47.092   13.803   0.0000   0.0000   47.092   13.803   78.120   14.509   78.120   14.509 -0.000000 0.000000 
1 1 1  -22    0   86 o   86.926   13.621   56.996   14.869   0.0000   0.0000   56.996   14.869   86.926   13.621   86.926   13.621 -0.000000 0.000000 
1 1 1  -22    0   87 o  170.226   9.8264  203.668   22.495   0.0000   0.0000  203.668   22.495  170.226   9.8264  170.226   9.8264 -0.000000 0.000000 
1 1 1  -22    1    1 o  427.452   7.0463  1238.56   38.442  1243.04   66.770  1236.34   47.016  427.933   11.514  426.971   8.1258 0.9627686 14.09250 
1 1 1  -22    1    2 o  587.587   8.8411  2354.44   66.524  2312.95  114.147  2375.78   81.864  583.445   14.437  591.730   10.209 -8.284851 17.68211 
1 1 1  -22    1    3 o  409.541   6.9388  1159.57   36.576  1065.90   60.977  1212.21   45.713  396.287   11.355  422.795   7.9787 -26.50720 13.87758 
1 1 1  -22    1    4 o  1060.31   14.709  7715.72  200.380  7484.20  340.210  7838.70  247.952  1047.06   23.977  1073.55   17.044 -26.49182 29.41722 
1 1 1  -22    1    5 o  664.771   9.7150  2974.74   82.057  2925.70   99.576  3078.51  144.848  656.581   11.191  672.960   15.883 -16.37885 19.43002 
1 1 1  -22    1    6 o  900.699   12.613  5396.95  142.671  5204.84  170.647  5843.07  260.049  875.296   14.387  926.102   20.721 -50.80542 25.22580 
1 1 1  -22    1    7 o  815.480   10.936  4553.55  105.403  4589.84  122.423  4449.56  207.227  822.416   10.985  808.543   18.913 13.87317 21.87152 
1 1 1  -22    1    8 o  1382.74   15.388 13028.92  288.304 13214.98  411.643 12849.78  403.914  1392.40   21.816  1373.07   21.708 19.33459 30.77593 
1 1 1  -22    1    9 o  718.114   8.4898  3500.43   82.617  3502.26  116.751  3498.58  116.926  718.304   11.994  717.925   12.019 0.3795166 16.97956 
1 1 1  -22    1   10 o  641.486   7.7227  2792.31   67.133  2780.30   94.706  2804.45   95.176  640.099   10.918  642.873   10.925 -2.773743 15.44538 
1 1 1  -22    1   11 o  729.902   8.5934  3615.72   84.990  3565.89  119.172  3667.29  121.243  724.787   12.133  735.016   12.172 -10.22876 17.18685 
1 1 1  -22    1   12 o  662.645   7.9310  2979.78   71.218  2964.03  100.456  2995.70  100.980  660.884   11.217  664.405   11.215 -3.521240 15.86200 
1 1 1  -22    1   13 o  718.944   8.4965  3507.75   82.769  3561.83  118.137  3455.62  115.997  724.383   12.035  713.505   11.997 10.87756 16.99295 
1 1 1  -22    1   14 o  1392.92   19.038 13107.96  335.170 13704.40  598.644 12835.62  404.516  1413.55   31.252  1372.30   21.752 41.25317 38.07672 
1 1 1  -22    1   15 o  824.537   11.714  4603.12  122.941  4678.98  215.288  4566.41  149.761  829.076   19.162  819.999   13.477 9.076538 23.42700 
1 1 1  -22    1   16 o  914.558   10.473  5683.14  129.803  5677.23  183.520  5689.06  183.618  914.081   14.815  915.034   14.808 -0.9534302 20.94694 
1 1 1  -22    1   17 o  688.916   10.071  3230.43   88.782  3205.07  152.954  3243.32  109.029  686.574   16.440  691.257   11.639 -4.682739 20.14274 
1 1 1  -22    1   18 o  1087.71   15.060  8054.19  208.997  8093.01  363.203  8034.98  255.543  1088.59   24.621  1086.83   17.351 1.759155 30.12020 
1 1 1  -22    1   19 o  415.003   6.9653  1149.96   36.636  1220.34   65.367  1117.73   44.237  424.026   11.376  405.981   8.0407 18.04544 13.93058 
1 1 1  -22    1   20 o  617.498   7.5294  2586.74   62.995  2631.16   90.097  2544.27   88.112  622.679   10.677  612.317   10.619 10.36224 15.05873 
1 1 1  -22    1   21 o  434.993   5.8796  1283.02   34.655  1302.92   49.449  1263.81   48.582  438.307   8.3253  431.679   8.3048 6.627350 11.75927 
1 1 1  -22    1   22 o  366.039   5.3418  908.517   26.497  913.980   37.609  903.133   37.337  367.131   7.5593  364.947   7.5496 2.184570 10.68363 
1 1 1  -22    1   23 o  865.797   12.264  5097.11  135.529  5090.67  165.822  5110.05  235.220  865.581   14.137  866.013   20.043 -0.4322510 24.52707 
1 1 1  -22    1   24 o  624.325   9.3508  2664.84   74.863  2702.14   92.381  2593.50  127.773  630.986   10.804  617.664   15.265 13.32129 18.70162 
1 1 1  -22    1   25 o  662.468   7.9742  2979.06   71.588  2976.66  101.226  2981.46  101.255  662.200   11.280  662.735   11.274 -0.5349731 15.94850 
1 1 1  -22    1   26 o  522.127   6.6671  1849.61   47.174  1849.03   66.732  1850.19   66.694  522.045   9.4329  522.209   9.4246 -0.1642456 13.33427 
1 1 1  -22    1   27 o  572.171   7.1293  2221.67   55.278  2226.72   78.251  2216.65   78.100  572.820   10.081  571.522   10.084 1.297607 14.25857 
1 1 1  -22    1   28 o  761.538   8.9624  3939.40   92.489  3961.36  131.242  3917.73  130.362  763.646   12.682  759.430   12.667 4.215637 17.92479 
1 1 1  -22    1   29 o  294.754   4.9283  589.136   19.685  590.845   27.882  587.439   27.796  295.180   6.9704  294.328   6.9689 0.8519897 9.856551 
1 1 1  -22    1   30 o  427.980   5.8841  1242.53   34.126  1234.64   48.130  1250.50   48.393  426.614   8.3252  429.347   8.3176 -2.732544 11.76824 
1 1 1  -22    1   31 o  770.431   9.0579  4033.61   94.568  4028.99  133.674  4038.24  133.806  769.989   12.811  770.873   12.809 -0.8834229 18.11589 
1 1 1  -22    1   32 o  335.988   5.2022  765.665   23.686  761.344   33.454  770.008   33.540  335.038   7.3684  336.940   7.3457 -1.901978 10.40443 
1 1 1  -22    1   33 o  240.576   5.6376  387.755   17.493  377.198   21.505  408.405   30.076  235.839   6.7287  245.313   9.0474 -9.473984 11.27522 
1 1 1  -22    1   34 o  384.235   7.8432  1002.61   40.826  1013.12   58.603  992.701   56.907  386.181   11.198  382.289   10.985 3.892029 15.68639 
1 1 1  -22    1   35 o  502.460   8.0306  1703.43   51.312  1750.09   90.269  1681.15   62.368  507.272   13.131  497.649   9.2482 9.622559 16.06128 
1 1 1  -22    1   36 o  327.138   6.3385  725.895   26.523  728.190   45.859  724.741   32.513  327.427   10.335  326.849   7.3405 0.5780640 12.67691 
1 1 1  -22    1   37 o  726.627   10.609  3579.48   98.130  3647.96  171.893  3546.37  119.520  731.093   17.350  722.160   12.213 8.933105 21.21757 
1 1 1  -22    1   38 o  518.717   6.7083  1826.95   47.150  1853.51   67.265  1801.30   66.111  522.420   9.5014  515.014   9.4726 7.406311 13.41665 
1 1 1  -22    1   39 f  659.872   8.0215  2959.81   71.719  3009.97  102.483  2911.68  100.400  665.344   11.366  654.399   11.322 10.94482 16.04292 
1 1 1  -22    1   40 o  344.339   5.3377  804.710   24.906  801.487   35.285  807.910   35.161  343.649   7.5770  345.028   7.5202 -1.378632 10.67536 
1 1 1  -22    1   41 o  468.311   7.7396  1488.47   46.111  1499.87   80.663  1482.94   56.198  469.351   12.682  467.272   8.8750 2.079224 15.47914 
1 1 1  -22    1   42 o  332.093   6.5100  750.508   27.451  745.748   48.036  752.816   33.452  331.152   10.704  333.033   7.4122 -1.881439 13.01999 
1 1 1  -22    1   43 o  469.188   8.9329  1499.67   56.793  1512.23   80.143  1486.99   80.495  471.178   12.552  467.198   12.714 3.980316 17.86579 
1 1 1  -22    1   44 o  142.225   7.1356  138.855   13.611  157.786   18.953  118.696   19.559  152.374   9.1789  132.076   10.928 20.29752 14.27126 
1 1 1  -22    1   45 o  392.427   7.0712  1055.79   35.429  1073.18   43.557  1021.77   60.905  397.495   8.0862  387.360   11.603 10.13531 14.14243 
1 1 1  -22    1   46 o  243.143   4.8363  401.237   15.934  407.854   22.690  394.799   22.381  245.121   6.8307  241.165   6.8483 3.956055 9.672554 
1 1 1  -22    1   47 o  409.556   5.8304  1139.69   32.359  1138.36   45.758  1141.02   45.767  409.316   8.2495  409.795   8.2415 -0.4789124 11.66089 
1 1 1  -22    1   48 o  264.767   4.9405  475.947   17.725  479.295   25.228  472.683   24.910  265.685   7.0070  263.850   6.9668 1.835754 9.881033 
1 1 1  -22    1   49 o  453.727   6.1980  1399.70   38.109  1403.92   54.026  1395.52   53.764  454.406   8.7735  453.048   8.7572 1.357513 12.39605 
1 1 1  -22    1   50 o  368.989   5.5435  925.154   27.718  916.327   39.049  934.118   39.352  367.214   7.8470  370.764   7.8323 -3.549774 11.08693 
1 1 1  -22    1   51 o  163.256   4.8436  180.986   10.714  177.009   15.072  185.047   15.234  161.441   6.8894  165.070   6.8101 -3.629150 9.687162 
1 1 1  -22    1   52 o  499.807   6.6013  1700.22   44.711  1697.33   63.158  1703.12   63.304  499.382   9.3329  500.231   9.3385 -0.8492126 13.20263 
1 1 1  -22    1   53 o  228.677   5.8543  358.836   17.309  366.716   21.603  344.707   28.929  232.347   6.8612  225.007   9.4876 7.340118 11.70855 
1 1 1  -22    1   54 o  294.404   6.2046  585.770   23.430  602.358   40.517  577.435   28.719  297.314   10.056  291.493   7.2705 5.820709 12.40925 
1 1 1  -22    1   55 o  117.532   5.4159   94.319   8.5811   83.940   12.207  104.459   12.066  111.088   8.1086  123.976   7.1817 -12.88780 10.83172 
1 1 1  -22    1   56 o  282.754   5.0772  543.436   19.454  545.433   27.511  541.440   27.514  283.276   7.1665  282.233   7.1938 1.042206 10.15432 
1 1 1  -22    1   57 o  349.556   5.4647  831.047   25.885  839.172   36.749  823.046   36.467  351.253   7.7206  347.859   7.7359 3.394135 10.92940 
1 1 1  -22    1   58 o  335.002   5.3741  763.346   24.397  763.640   34.497  763.052   34.508  335.067   7.5975  334.937   7.6028 0.1299744 10.74827 
1 1 1  -22    1   59 o  316.553   6.5005  669.886   25.974  718.774   46.798  648.121   31.225  324.424   10.645  308.682   7.4645 15.74252 13.00105 
1 1 1  -22    1   60 o  164.079   7.5112  183.780   16.626  161.109   23.089  208.194   23.960  153.516   11.098  174.642   10.124 -21.12665 15.02233 
1 1 1  -22    1   61 o  138.786   5.2767  130.904   9.9139  139.568   14.267  122.815   13.786  143.230   7.3505  134.343   7.5726 8.887711 10.55336 
1 1 1  -22    1   62 o  144.299   5.2330  141.714   10.230  137.933   14.468  145.495   14.467  142.365   7.4993  146.233   7.3005 -3.867447 10.46602 
1 1 1  -22    1   63 o  377.035   5.7364  968.342   29.309  965.090   41.422  971.603   41.477  376.399   8.1207  377.671   8.1043 -1.271942 11.47282 
1 1 1  -22    1   64 o  162.048   5.2348  178.658   11.488  187.982   16.432  169.743   16.067  166.192   7.2961  157.903   7.5086 8.288620 10.46960 
1 1 1  -22    1   65 f  215.045   5.0022  314.723   14.575  308.586   20.587  320.891   20.639  212.935   7.1344  217.155   7.0135 -4.220169 10.00444 
1 1 1  -22    1   66 o  121.527   5.6104  100.674   9.2279   94.273   12.977  107.223   13.125  117.599   8.1428  125.455   7.7203 -7.855713 11.22086 
1 1 1  -22    1   67 o  206.219   4.9567  289.403   13.848  299.435   19.774  279.749   19.398  209.731   6.9575  202.706   7.0617 7.025482 9.913353 
1 1 1  -22    1   68 o  180.576   5.0678  221.990   12.396  213.499   17.338  230.869   17.731  177.037   7.2268  184.114   7.1065 -7.077026 10.13554 
1 1 1  -22    1   69 o  154.798   6.9854  164.094   14.653  164.425   20.758  163.765   20.689  154.953   9.8855  154.644   9.8722 0.3092346 13.97081 
1 1 1  -22    1   70 f  241.182   6.9182  398.568   22.611  400.835   32.035  396.316   31.918  241.868   9.7739  240.495   9.7937 1.372650 13.83639 
1 1 1  -22    1   71 o  116.037   5.8110   92.099   9.1077  101.703   12.990   82.812   12.773  122.036   7.8548  110.039   8.5660 11.99680 11.62209 
1 1 1  -22    1   72 o   86.513   6.9938   51.783   8.0286   39.205   11.173   65.211   11.545   75.440   10.929   97.586   8.7299 -22.14553 13.98760 
1 1 1  -22    1   73 o  164.984   5.1910  185.934   11.600  177.774   16.294  194.318   16.516  161.293   7.4548  168.675   7.2257 -7.381653 10.38196 
1 1 1  -22    1   74 o  140.950   5.4869  135.906   10.462  125.327   14.606  147.054   14.993  135.281   7.9675  146.619   7.5461 -11.33778 10.97380 
1 1 1  -22    1   75 o  420.368   8.8925  1232.16   50.652  1213.23   71.075  1251.69   72.204  417.090   12.575  423.647   12.577 -6.556274 17.78498 
1 1 1  -22    1   76 o  182.511   5.1309  227.787   12.669  246.909   18.269  210.074   17.584  189.920   7.0985  175.101   7.4104 14.81833 10.26173 
1 1 1  -22    1   77 o  130.590   5.4261  117.156   9.5959  113.095   13.639  121.137   13.503  128.310   7.8443  132.871   7.4992 -4.561676 10.85223 
1 1 1  -22    1   78 o  150.848   5.2231  156.116   10.656  142.976   14.828  170.147   15.323  144.235   7.5865  157.460   7.1811 -13.22490 10.44617 
1 1 1  -22    1   79 o   87.253   6.6731   52.720   7.7758   41.535   10.655   65.462   11.373   77.203   10.185   97.303   8.6252 -20.10035 13.34629 
1 1 1  -22    1   80 o  148.630   5.2455  152.202   10.563  148.839   14.939  155.563   14.938  146.961   7.5013  150.300   7.3342 -3.338654 10.49098 
1 1 1  -22    1   81 o  233.366   5.0958  375.454   16.114  371.997   22.841  378.878   22.736  232.269   7.2569  234.463   7.1558 -2.194611 10.19156 
1 1 1  -22    1   82 o  231.669   5.0819  370.361   15.940  348.753   22.261  393.098   22.834  224.663   7.3118  238.675   7.0598 -14.01276 10.16385 
1 1 1  -22    1   83 o  127.286   7.2213  114.346   12.448  120.279   17.855  108.737   17.363  130.556   10.092  124.016   10.332 6.540688 14.44261 
1 1 1  -22    1   84 o  200.338   6.8647  283.414   18.636  281.232   26.367  285.593   26.344  199.531   9.7516  201.145   9.6646 -1.613983 13.72945 
1 1 1  -22    1   85 o   99.562   7.9917   71.408   10.738   63.660   15.033   79.479   15.343   93.763   11.832  105.361   10.746 -11.59822 15.98336 
1 1 1  -22    1   86 o  143.134   7.1888  146.364   13.927  156.375   19.998  136.934   19.408  148.027   9.9690  138.241   10.360 9.786392 14.37757 
1 1 1  -22    1   87 o   77.786   12.779   44.879   13.470   44.879   13.470   0.0000   0.0000   77.786   12.779  ?   ?       ?      ? 
1 1 1  -22    2    1 o  204.346   4.3386  281.692   11.984  304.847   17.708  262.126   16.279  212.056   6.1624  196.637   6.1090 15.41856 8.677212 
1 1 1  -22    2    2 o  732.666   8.6230  3644.56   85.613  3615.48  120.805  3673.90  121.346  729.728   12.216  735.604   12.173 -5.876648 17.24592 
1 1 1  -22    2    3 o  842.496   9.7308  4818.64  111.059  4690.49  154.704  4954.92  159.531  830.949   13.739  854.043   13.784 -23.09418 19.46161 
1 1 1  -22    2    4 o  626.291   8.6987  2622.98   63.488  2585.42   72.812  2742.08  129.666  617.400   8.7028  635.183   15.064 -17.78296 17.39730 
1 1 1  -22    2    5 o  746.176   10.113  3824.27   89.429  3869.42  104.117  3697.26  174.633  755.170   10.174  737.182   17.481 17.98822 20.22624 
1 1 1  -22    2    6 o  462.663   6.9423  1431.34   37.616  1411.21   43.246  1493.88   76.244  456.225   6.9949  469.101   11.994 -12.87595 13.88455 
1 1 1  -22    2    7 o  504.946   7.4002  1724.79   44.003  1719.39   50.863  1740.84   87.734  503.561   7.4536  506.331   12.787 -2.770050 14.80039 
1 1 1  -22    2    8 o  531.566   7.6863  1904.18   48.017  1890.89   55.394  1944.35   96.302  528.063   7.7409  535.069   13.281 -7.005249 15.37257 
1 1 1  -22    2    9 o  425.901   6.6139  1230.63   33.340  1230.82   38.671  1230.08   65.808  426.083   6.6974  425.719   11.407 0.3645935 13.22789 
1 1 1  -22    2   10 o  363.601   7.4478  896.430   36.698  896.430   36.698   0.0000   0.0000  363.601   7.4478  ?   ?       ?      ? 
1 1 1  -22    2   11 o  640.216   7.7172  2781.49   66.953  2775.72   94.662  2787.25   94.709  639.551   10.922  640.880   10.905 -1.328674 15.43445 
1 1 1  -22    2   12 o  365.565   10.523  906.789   52.132  906.789   52.132   0.0000   0.0000  365.565   10.523  ?   ?       ?      ? 
1 1 1  -22    2   13 o  420.629   7.0011  1203.94   37.676  1189.38   64.868  1211.36   46.283  418.613   11.435  422.645   8.0810 -4.031342 14.00220 
1 1 1  -22    2   14 o  541.934   8.3116  1985.50   57.409  2017.30  100.290  1970.00   70.014  544.985   13.580  538.884   9.5876 6.100342 16.62317 
1 1 1  -22    2   15 o  506.590   7.9128  1733.36   51.062  1766.23   89.363  1717.43   62.219  509.999   12.930  503.181   9.1246 6.817688 15.82561 
1 1 1  -22    2   16 o  466.977   7.5379  1478.24   44.794  1484.29   78.267  1475.30   54.624  467.564   12.353  466.389   8.6428 1.175598 15.07588 
1 1 1  -22    2   17 o  764.370   10.981  3944.74  106.557  4048.20  188.017  3895.79  129.332  771.282   17.989  757.459   12.600 13.82336 21.96253 
1 1 1  -22    2   18 o  627.836   10.760  2675.01   91.545   0.0000   0.0000  2675.01   91.545  ?   ?   627.836   10.760      ?      ? 
1 1 1  -22    2   19 o  852.686   9.8616  4938.60  113.940  4871.09  159.837  5008.36  162.467  846.765   13.929  858.607   13.963 -11.84253 19.72314 
1 1 1  -22    2   20 o  747.219   8.7889  3790.40   88.986  3733.75  124.784  3849.02  126.934  741.541   12.418  752.898   12.441 -11.35687 17.57784 
1 1 1  -22    2   21 o  213.896   4.4780  310.265   12.975  300.928   18.374  319.552   18.325  210.683   6.4357  217.109   6.2284 -6.425659 8.956097 
1 1 1  -22    2   22 o  354.198   5.2499  850.368   25.193  867.766   36.086  833.825   35.188  357.730   7.4439  350.666   7.4050 7.064117 10.49977 
1 1 1  -22    2   23 o  662.928   7.9816  2982.41   71.694  2929.92  100.465  3036.88  102.342  656.985   11.284  668.870   11.291 -11.88477 15.96312 
1 1 1  -22    2   24 o  931.198   13.133  5962.94  157.367  6096.20  195.378  5716.82  265.525  946.924   15.226  915.471   21.403 31.45313 26.26632 
1 1 1  -22    2   25 o  476.214   7.7092  1533.76   46.738  1523.16   56.952  1555.63   81.794  473.847   8.8693  478.582   12.612 -4.734680 15.41838 
1 1 1  -22    2   26 o  560.059   7.0210  2128.56   53.286  2125.11   75.346  2132.02   75.371  559.604   9.9356  560.514   9.9228 -0.9097290 14.04199 
1 1 1  -22    2   27 o  671.469   8.0792  3061.34   73.515  3053.55  103.861  3069.17  104.073  670.612   11.429  672.326   11.423 -1.713318 16.15847 
1 1 1  -22    2   28 o  368.305   6.5641  923.274   31.102  929.579   38.438  911.319   52.931  370.216   7.6617  366.395   10.660 3.821167 13.12814 
1 1 1  -22    2   29 o  541.577   9.6629  1993.65   70.913  2003.81  100.916  1983.73   99.667  542.934   13.716  540.219   13.614 2.714355 19.32573 
1 1 1  -22    2   30 o  299.188   6.0784  604.499   23.204  615.678   40.472  599.025   28.322  301.173   9.9165  297.203   7.0321 3.970551 12.15681 
1 1 1  -22    2   31 o  497.656   7.8793  1678.02   50.253  1669.84   61.675  1694.19   86.685  496.042   9.1750  499.271   12.812 -3.228638 15.75860 
1 1 1  -22    2   32 o  564.207   8.6543  2176.78   62.809  2207.21   77.764  2119.69  106.527  570.182   10.064  558.232   14.082 11.94928 17.30863 
1 1 1  -22    2   33 o  170.587   4.7653  197.254   10.996  214.156   15.764  181.241   15.344  177.704   6.5463  163.469   6.9268 14.23441 9.530674 
1 1 1  -22    2   34 o  719.842   8.5794  3522.08   83.689  3500.77  118.028  3543.63  118.683  717.651   12.136  722.032   12.130 -4.381104 17.15874 
1 1 1  -22    2   35 o  241.475   4.7433  395.382   15.519  401.375   22.210  389.665   21.692  243.262   6.7374  239.689   6.6784 3.572815 9.486506 
1 1 1  -22    2   36 o  190.770   4.6997  246.451   12.140  258.055   17.590  235.897   16.775  195.051   6.6547  186.490   6.6380 8.561356 9.399357 
1 1 1  -22    2   37 o  229.740   5.8057  357.404   16.990  360.673   29.665  355.808   20.725  230.454   9.4991  229.027   6.6778 1.427582 11.61145 
1 1 1  -22    2   38 o  713.796   8.5399  3465.62   82.604  3483.18  117.252  3448.31  116.393  715.589   12.091  712.003   12.063 3.585205 17.07983 
1 1 1  -22    2   39 o  799.964   11.550  4383.51  118.231  4323.06  203.250  4414.43  145.355  794.781   18.871  805.148   13.322 -10.36755 23.09978 
1 1 1  -22    2   40 o  518.565   8.2305  1824.08   54.332  1844.92   95.010  1813.96   66.230  520.405   13.472  516.725   9.4583 3.679810 16.46101 
1 1 1  -22    2   41 o  196.668   4.6993  262.628   12.514  252.170   17.776  272.904   17.621  192.777   6.8045  200.559   6.4833 -7.782288 9.398670 
1 1 1  -22    2   42 o  411.849   5.8223  1151.76   32.493  1161.64   46.251  1142.13   45.659  413.591   8.2522  410.107   8.2158 3.483734 11.64465 
1 1 1  -22    2   43 o  563.933   8.7823  2157.07   62.987  2139.59   76.669  2193.38  110.475  560.945   10.086  566.920   14.380 -5.974976 17.56453 
1 1 1  -22    2   44 o  743.237   10.912  3783.65  103.607  3800.18  127.078  3750.88  178.929  746.749   12.558  739.726   17.850 7.023499 21.82441 
1 1 1  -22    2   45 o  345.936   5.3851  812.561   25.242  795.700   35.499  829.803   35.899  342.302   7.6529  349.569   7.5783 -7.266144 10.77017 
1 1 1  -22    2   46 o  627.938   7.7493  2684.59   65.941  2688.35   93.441  2680.85   93.070  628.372   10.973  627.503   10.945 0.8692017 15.49856 
1 1 1  -22    2   47 o  276.904   4.9938  520.314   18.730  498.209   26.169  543.530   26.819  270.872   7.1292  282.936   6.9948 -12.06348 9.987615 
1 1 1  -22    2   48 o  506.146   8.1216  1743.11   52.514  1754.38   91.064  1737.50   64.279  506.883   13.257  505.409   9.3852 1.473907 16.24317 
1 1 1  -22    2   49 o  469.654   9.0099  1505.51   57.331  1494.69   80.134  1516.85   82.056  467.954   12.637  471.353   12.846 -3.399475 18.01980 
1 1 1  -22    2   50 o  296.355   6.3635  594.332   23.892  588.803   28.967  606.096   42.254  294.412   7.2604  298.298   10.453 -3.885803 12.72698 
1 1 1  -22    2   51 f  367.644   5.5551  917.942   27.665  949.991   39.766  887.880   38.513  373.859   7.8490  361.429   7.8633 12.43018 11.11028 
1 1 1  -22    2   52 o  343.966   6.5047  798.315   28.733  783.960   35.234  826.817   49.647  339.624   7.6556  348.307   10.518 -8.682465 13.00941 
1 1 1  -22    2   53 o  387.490   6.9046  1018.15   34.386  1008.45   42.286  1037.10   59.079  385.092   8.1031  389.887   11.182 -4.795471 13.80919 
1 1 1  -22    2   54 o  274.044   6.1620  518.042   21.675  488.792   36.603  533.839   26.899  267.803   10.086  280.286   7.0819 -12.48325 12.32393 
1 1 1  -22    2   55 o  128.663   5.2758  112.700   9.1836  105.965   13.046  119.316   12.930  124.833   7.7119  132.494   7.2014 -7.660995 10.55151 
1 1 1  -22    2   56 o  375.506   5.6434  958.658   28.708  927.261   40.082  991.729   41.137  369.191   8.0116  381.821   7.9504 -12.62991 11.28686 
1 1 1  -22    2   57 o  140.281   5.2082  134.029   9.8502  117.272   13.801  151.430   14.064  131.301   7.7562  149.260   6.9529 -17.95958 10.41646 
1 1 1  -22    2   58 o  342.372   6.7368  795.906   29.225  808.318   51.606  790.045   35.460  343.961   11.072  340.784   7.6784 3.176727 13.47360 
1 1 1  -22    2   59 o  516.184   8.4056  1834.94   55.410  1788.32   95.313  1858.74   68.101  510.319   13.782  522.049   9.6262 -11.73050 16.81130 
1 1 1  -22    2   60 o  164.159   6.5907  191.806   13.463  206.536   16.481  162.256   23.343  174.278   6.9782  154.039   11.183 20.23926 13.18141 
1 1 1  -22    2   61 o  329.488   5.3761  738.372   23.997  761.531   34.428  716.489   33.466  334.511   7.5948  324.465   7.6112 10.04663 10.75226 
1 1 1  -22    2   62 o  122.343   5.5029  101.904   9.1229  102.016   12.967  101.794   12.838  122.407   7.8170  122.279   7.7474 0.1278152 11.00580 
1 1 1  -22    2   63 o   93.713   6.8049   60.998   8.3862   43.974   11.799   78.376   11.921   80.172   10.861  107.254   8.2022 -27.08263 13.60980 
1 1 1  -22    2   64 f  268.693   5.0978  491.352   18.562  490.865   26.330  491.834   26.171  268.556   7.2349  268.830   7.1839 -0.2735596 10.19568 
1 1 1  -22    2   65 o  269.440   5.1159  494.075   18.677  502.653   26.658  485.803   26.177  271.736   7.2392  267.144   7.2308 4.591827 10.23183 
1 1 1  -22    2   66 f  339.245   5.4765  783.925   25.173  798.976   35.972  769.482   35.239  342.434   7.7518  336.057   7.7380 6.376434 10.95296 
1 1 1  -22    2   67 o  166.011   5.1111  187.701   11.498  186.920   16.290  188.477   16.232  165.664   7.2563  166.359   7.2001 -0.6949921 10.22229 
1 1 1  -22    2   68 o  341.825   5.5233  796.747   25.584  787.745   36.095  805.836   36.269  339.878   7.8367  343.773   7.7854 -3.894958 11.04657 
1 1 1  -22    2   69 o   81.009   10.129   47.029   10.640   33.876   14.991   60.377   15.103   68.363   16.394   93.656   11.900 -25.29308 20.25752 
1 1 1  -22    2   70 o  444.609   7.6497  1362.81   43.662  1344.22   74.518  1372.53   53.880  441.277   12.461  447.942   8.8762 -6.664856 15.29940 
1 1 1  -22    2   71 o  157.742   5.1878  169.784   11.089  171.330   15.743  168.261   15.623  158.455   7.3317  157.029   7.3416 1.426865 10.37560 
1 1 1  -22    2   72 o  145.371   5.3395  144.333   10.515  149.924   14.988  138.914   14.755  148.156   7.4653  142.586   7.6361 5.570099 10.67900 
1 1 1  -22    2   73 o  264.162   5.1528  476.724   18.444  484.987   26.253  468.669   25.918  266.427   7.2714  261.897   7.3029 4.529968 10.30561 
1 1 1  -22    2   74 o  172.298   6.3899  196.467   13.908  224.877   25.343  184.225   16.637  180.501   10.361  164.095   7.4816 16.40657 12.77979 
1 1 1  -22    2   75 o  124.577   8.5304  107.998   14.380  100.333   20.056  116.107   20.630  119.954   12.338  129.200   11.783 -9.246193 17.06076 
1 1 1  -22    2   76 f  133.401   5.5526  121.917   9.9678  142.485   14.470  103.345   13.750  144.183   7.4060  122.619   8.2751 21.56374 11.10526 
1 1 1  -22    2   77 o  194.112   5.0474  258.315   13.274  250.669   18.689  266.097   18.856  191.189   7.2134  197.034   7.0620 -5.844666 10.09480 
1 1 1  -22    2   78 o  148.606   5.2410  151.735   10.554  152.998   14.979  150.491   14.873  149.221   7.4077  147.991   7.4160 1.230011 10.48196 
1 1 1  -22    2   79 o  189.208   5.0089  245.903   12.840  253.080   18.378  239.058   17.946  191.910   7.0668  186.506   7.1006 5.404633 10.01789 
1 1 1  -22    2   80 o  117.517   5.6731   95.453   8.9903   83.481   12.515  108.218   12.923  109.787   8.4120  125.246   7.6141 -15.45813 11.34619 
1 1 1  -22    2   81 o   89.727   6.2782   56.082   7.6155   51.393   10.712   60.873   10.828   85.842   9.2089   93.612   8.5359 -7.770370 12.55649 
1 1 1  -22    2   82 o   99.522   6.0299   68.863   8.0897   78.763   11.703   59.803   11.195  106.491   8.1095   92.553   8.9261 13.93798 12.05981 
1 1 1  -22    2   83 o  126.102   7.2710  112.404   12.418  115.912   17.934  109.173   17.212  127.959   10.342  124.245   10.223 3.714203 14.54203 
1 1 1  -22    2   84 o   72.451   9.6971   39.269   9.3098   36.155   13.269   42.289   13.066   68.654   14.705   76.248   12.645 -7.593872 19.39428 
1 1 1  -22    2   85 o  160.624   6.9698  183.426   15.165  179.020   21.527  187.767   21.368  158.586   10.017  162.663   9.6939 -4.076645 13.93959 
1 1 1  -22    2   86 o   58.596   10.809   27.098   8.6694   28.983   12.595   25.400   11.952   60.510   15.339   56.682   15.233 3.827545 21.61752 
1 1 1  -22    3    1 o  475.886   7.6218  1528.73   45.823  1560.18   81.507  1514.20   55.408  479.301   12.549  472.471   8.6539 6.829529 15.24356 
1 1 1  -22    3    2 o  848.268   11.985  4901.56  130.256  4913.78  160.126  4877.67  223.954  850.407   13.895  846.129   19.532 4.277649 23.96983 
1 1 1  -22    3    4 o  1040.87   16.697  7369.71  235.515  7369.71  235.515   0.0000   0.0000  1040.87   16.697  ?   ?       ?      ? 
1 1 1  -22    3    5 o  732.115   10.516  3597.76   97.700  3517.11  118.261  3771.13  173.391  719.732   12.125  744.498   17.186 -24.76660 21.03298 
1 1 1  -22    3    6 o  303.867   5.8832  634.531   23.165  656.125   29.080  597.033   38.320  311.081   6.8982  296.653   9.5321 14.42801 11.76634 
1 1 1  -22    3    7 o  312.917   5.8841  657.240   23.722  642.560   29.157  685.984   40.799  307.846   6.9892  317.988   9.4679 -10.14230 11.76818 
1 1 1  -22    3    8 o  816.431   10.896  4492.71  104.054  4455.47  119.734  4607.61  210.318  810.242   10.905  822.620   18.867 -12.37750 21.79142 
1 1 1  -22    3    9 o  559.243   7.9499  2083.35   51.930  2046.21   59.574  2200.84  105.970  549.298   8.0032  569.188   13.739 -19.88983 15.89979 
1 1 1  -22    3   10 o  626.863   8.7390  2677.59   64.823  2687.65   75.250  2648.65  127.640  629.474   8.8216  624.251   15.088 5.223511 17.47802 
1 1 1  -22    3   11 o  1301.47   16.801 11449.97  254.558 11340.90  292.239 11793.01  518.266  1291.28   16.701  1311.66   29.157 -20.38098 33.60170 
1 1 1  -22    3   12 o  641.499   7.7316  2792.46   67.206  2823.97   95.861  2762.01   94.246  645.054   10.966  637.943   10.902 7.110229 15.46320 
1 1 1  -22    3   13 o  552.796   6.8878  2071.91   51.580  2124.48   74.145  2022.61   71.801  559.583   9.7777  546.009   9.7039 13.57483 13.77567 
1 1 1  -22    3   14 o  801.509   9.3212  4356.97  101.163  4524.29  146.659  4205.10  139.724  816.156   13.260  786.862   13.104 29.29382 18.64240 
1 1 1  -22    3   15 o  313.550   4.9283  665.571   20.925  696.079   30.294  637.735   28.937  320.411   6.9769  306.689   6.9625 13.72150 9.856645 
1 1 1  -22    3   16 o  305.459   4.8833  632.571   20.211  635.846   28.841  629.410   28.332  306.234   6.9497  304.683   6.8620 1.551178 9.766544 
1 1 1  -22    3   17 o  726.072   8.5812  3577.26   84.408  3486.17  117.675  3673.80  121.143  716.559   12.118  735.585   12.153 -19.02557 17.16249 
1 1 1  -22    3   18 f  1053.28   14.641  7545.44  196.417  7612.01  342.804  7512.90  239.657  1055.66   23.963  1050.90   16.829 4.753906 29.28179 
1 1 1  -22    3   19 o  433.984   7.2275  1274.25   39.824  1288.90   70.018  1267.24   48.419  435.711   11.859  432.257   8.2659 3.454010 14.45508 
1 1 1  -22    3   20 o  856.442   9.8935  4983.43  114.817  4928.45  161.374  5039.79  163.396  851.660   13.983  861.223   14.000 -9.562866 19.78694 
1 1 1  -22    3   21 o  500.191   6.4513  1697.15   43.726  1710.66   62.245  1683.98   61.438  502.155   9.1471  498.227   9.0997 3.928192 12.90252 
1 1 1  -22    3   22 o  476.129   6.2400  1537.46   40.256  1561.31   57.517  1514.55   56.362  479.747   8.8471  472.511   8.8021 7.235535 12.47994 
1 1 1  -22    3   23 o  444.444   5.9831  1339.88   36.035  1335.99   50.943  1343.77   50.979  443.798   8.4707  445.090   8.4520 -1.292267 11.96612 
1 1 1  -22    3   24 o  356.445   7.3983  862.388   35.728  839.344   50.388  885.687   50.668  351.650   10.574  361.240   10.350 -9.590759 14.79655 
1 1 1  -22    3   25 o  995.433   16.117  6768.43  217.376  6904.90  310.808  6637.75  304.132  1005.24   22.816  985.623   22.770 19.62134 32.23433 
1 1 1  -22    3   26 o  496.686   7.9653  1671.43   50.313  1664.51   61.289  1685.72   88.109  495.294   9.1313  498.078   13.054 -2.783783 15.93067 
1 1 1  -22    3   27 o  314.895   5.0648  672.422   21.611  661.884   30.439  683.133   30.688  312.406   7.1901  317.384   7.1351 -4.977417 10.12951 
1 1 1  -22    3   28 f  828.872   9.6547  4670.48  108.441  4639.02  152.660  4702.53  154.068  826.058   13.637  831.687   13.670 -5.628601 19.30931 
1 1 1  -22    3   29 o  443.549   7.2965  1336.85   41.637  1339.44   51.398  1331.91   71.018  444.313   8.5364  442.785   11.836 1.528259 14.59297 
1 1 1  -22    3   30 o  243.738   5.6339  403.659   17.847  405.274   22.304  400.785   29.754  244.459   6.7329  243.016   9.0350 1.443497 11.26779 
1 1 1  -22    3   31 o  312.565   5.0730  662.653   21.487  662.888   30.555  662.422   30.220  312.618   7.2126  312.512   7.1360 0.1063538 10.14608 
1 1 1  -22    3   32 o  607.652   7.4922  2507.73   61.693  2521.90   87.669  2493.83   86.830  609.349   10.617  605.955   10.574 3.394592 14.98440 
1 1 1  -22    3   33 o  280.572   4.9088  533.845   18.661  541.129   26.649  526.836   26.141  282.448   6.9624  278.695   6.9215 3.753418 9.817499 
1 1 1  -22    3   34 o  350.279   5.3353  832.484   25.325  827.090   35.891  837.831   35.738  349.146   7.5857  351.411   7.5047 -2.264740 10.67067 
1 1 1  -22    3   35 o  456.205   6.1559  1412.55   38.053  1429.42   54.307  1396.29   53.336  458.877   8.7333  453.533   8.6782 5.343353 12.31188 
1 1 1  -22    3   36 o  384.373   5.5874  1002.19   29.096  1024.20   41.733  981.376   40.587  388.475   7.9275  380.271   7.8761 8.204376 11.17489 
1 1 1  -22    3   37 o  430.916   8.3934  1260.58   49.013   0.0000   0.0000  1260.58   49.013  ?   ?   430.916   8.3934      ?      ? 
1 1 1  -22    3   38 o  242.588   6.7450  399.264   22.174   0.0000   0.0000  399.264   22.174  ?   ?   242.588   6.7450      ?      ? 
1 1 1  -22    3   39 o  378.281   5.5856  970.996   28.624  987.036   41.108  955.899   39.881  381.308   7.9554  375.255   7.8425 6.052582 11.17115 
1 1 1  -22    3   40 o  553.260   7.0191  2080.49   52.625  2068.26   74.309  2092.79   74.537  551.627   9.9406  554.893   9.9125 -3.266479 14.03822 
1 1 1  -22    3   41 o  500.922   6.5595  1704.08   44.513  1746.20   63.915  1664.41   62.030  506.925   9.3041  494.919   9.2488 12.00537 13.11895 
1 1 1  -22    3   42 o  332.757   5.2641  751.731   23.736  749.065   33.686  754.362   33.452  332.167   7.4835  333.346   7.4054 -1.179138 10.52821 
1 1 1  -22    3   43 o  667.495   10.004  3042.77   85.239  3046.00  104.372  3036.29  147.705  668.853   11.515  666.138   16.362 2.715454 20.00827 
1 1 1  -22    3   44 o  224.943   5.9867  339.401   17.031  331.845   20.552  355.962   30.427  221.104   6.8591  228.781   9.8142 -7.676773 11.97349 
1 1 1  -22    3   45 o  584.527   7.3320  2325.00   58.076  2338.53   82.509  2311.70   81.759  586.209   10.386  582.845   10.351 3.364136 14.66392 
1 1 1  -22    3   46 o  180.349   4.7919  220.976   11.698  208.674   16.539  233.288   16.547  175.313   6.9618  185.384   6.5865 -10.07120 9.583728 
1 1 1  -22    3   47 o  432.313   6.0147  1270.39   35.236  1269.36   49.956  1271.40   49.708  432.137   8.5307  432.490   8.4814 -0.3532715 12.02937 
1 1 1  -22    3   48 o  382.824   5.6448  995.127   29.272  1024.69   42.140  967.565   40.691  388.310   8.0082  377.338   7.9576 10.97150 11.28957 
1 1 1  -22    3   49 o  243.162   4.8676  401.572   16.038  395.216   22.684  407.926   22.678  241.233   6.9391  245.091   6.8281 -3.857330 9.735198 
1 1 1  -22    3   50 o  410.603   5.8682  1146.13   32.649  1126.55   45.877  1166.24   46.475  407.045   8.3170  414.160   8.2807 -7.114807 11.73638 
1 1 1  -22    3   51 o  342.263   6.4622  790.547   28.447  776.432   34.940  818.301   48.993  337.996   7.6283  346.529   10.433 -8.533356 12.92443 
1 1 1  -22    3   52 o  263.476   5.0061  471.543   17.867  490.363   25.474  453.319   25.067  268.658   6.9970  258.294   7.1614 10.36340 10.01219 
1 1 1  -22    3   53 o  259.608   5.0049  457.793   17.597  462.840   25.378  453.118   24.422  260.975   7.1760  258.240   6.9788 2.734772 10.00988 
1 1 1  -22    3   54 o  457.413   7.6708  1431.21   44.998  1416.38   77.084  1438.88   55.420  455.086   12.499  459.739   8.8956 -4.652466 15.34167 
1 1 1  -22    3   55 o  305.540   6.4945  632.747   25.145  627.125   30.498  644.680   44.435  303.710   7.4102  307.370   10.668 -3.659821 12.98899 
1 1 1  -22    3   56 o  380.373   5.7004  984.461   29.383  983.248   41.483  985.683   41.625  380.140   8.0528  380.607   8.0703 -0.4670715 11.40078 
1 1 1  -22    3   57 o  486.648   8.0507  1604.17   49.588  1659.50   88.113  1578.52   59.990  492.001   13.216  481.296   9.1977 10.70514 16.10142 
1 1 1  -22    3   58 o  293.978   6.4393  585.642   23.845  598.072   42.633  579.983   28.766  295.926   10.631  292.030   7.2688 3.896606 12.87855 
1 1 1  -22    3   59 o  350.676   5.5310  836.802   26.281  818.309   36.915  855.809   37.423  346.741   7.8562  354.611   7.7877 -7.869659 11.06199 
1 1 1  -22    3   60 o  198.363   6.2522  270.338   15.718  274.412   19.185  262.019   27.414  200.867   7.0481  195.858   10.329 5.009308 12.50432 
1 1 1  -22    3   61 o  430.975   6.0921  1264.98   35.567  1301.76   51.113  1230.46   49.523  437.039   8.6303  424.912   8.6006 12.12759 12.18410 
1 1 1  -22    3   62 o  162.113   5.2377  178.792   11.503  181.947   16.502  175.810   16.044  163.499   7.4479  160.727   7.3663 2.773071 10.47535 
1 1 1  -22    3   63 o  148.974   5.2429  150.982   10.581  154.865   15.196  147.328   14.742  150.830   7.4345  147.118   7.3945 3.712036 10.48573 
1 1 1  -22    3   64 o  219.713   4.9930  328.579   14.863  324.832   21.157  332.230   20.884  218.464   7.1466  220.962   6.9746 -2.497406 9.985928 
1 1 1  -22    3   65 o  326.624   5.3912  725.041   23.835  768.320   34.670  686.250   32.823  335.847   7.6177  317.400   7.6310 18.44656 10.78248 
1 1 1  -22    3   66 o  143.168   5.2715  139.337   10.210  151.313   14.781  128.409   14.120  149.053   7.3177  137.283   7.5899 11.77060 10.54303 
1 1 1  -22    3   67 o  237.002   5.0749  382.330   16.293  392.277   23.444  373.039   22.658  239.975   7.2092  234.028   7.1446 5.947540 10.14978 
1 1 1  -22    3   68 o  379.852   6.9914  985.534   34.212  979.833   42.232  996.417   58.354  378.877   8.2255  380.827   11.307 -1.950134 13.98272 
1 1 1  -22    3   69 o  291.491   7.2625  582.017   28.667  606.758   41.495  559.427   39.650  297.400   10.296  285.582   10.245 11.81799 14.52504 
1 1 1  -22    3   70 o  153.137   5.3394  160.127   11.073  157.449   15.863  162.671   15.465  151.865   7.7081  154.409   7.3908 -2.544662 10.67889 
1 1 1  -22    3   71 o  212.951   5.0726  309.289   14.634  318.048   20.984  300.996   20.419  215.884   7.1728  210.017   7.1746 5.867081 10.14520 
1 1 1  -22    3   72 o  240.792   5.0803  395.951   16.576  395.763   23.593  396.135   23.293  240.723   7.2325  240.861   7.1365 -0.1381989 10.16058 
1 1 1  -22    3   73 o  186.937   5.1092  238.779   12.939  241.531   18.553  236.174   18.055  187.972   7.2835  185.901   7.1671 2.070404 10.21845 
1 1 1  -22    3   74 o  139.670   8.1833  135.319   15.412  118.051   21.392  153.953   22.222  130.251   12.120  149.090   10.999 -18.83852 16.36659 
1 1 1  -22    3   75 o   99.532   8.1442   66.555   10.150   62.959   12.076   75.206   18.732   95.559   9.3255  103.505   13.355 -7.946304 16.28839 
1 1 1  -22    3   76 o   98.900   6.1754   67.365   8.2677   71.736   11.832   63.195   11.557  102.067   8.5545   95.734   8.9087 6.333000 12.35082 
1 1 1  -22    3   77 o  260.843   5.1317  466.995   18.138  463.266   25.712  470.689   25.591  259.785   7.3038  261.901   7.2105 -2.115906 10.26337 
1 1 1  -22    3   78 o  147.040   5.1850  148.620   10.331  149.498   14.695  147.762   14.527  147.463   7.3535  146.617   7.3117 0.8465729 10.36996 
1 1 1  -22    3   79 o  157.444   5.1167  170.717   10.898  158.718   15.361  182.878   15.464  151.790   7.4679  163.097   6.9967 -11.30698 10.23343 
1 1 1  -22    3   80 o  174.597   5.0589  209.787   11.956  224.502   17.206  196.050   16.624  180.559   7.0322  168.635   7.2746 11.92406 10.11788 
1 1 1  -22    3   81 o  205.294   5.0257  290.818   13.973  278.001   19.662  303.897   19.862  200.659   7.2310  209.929   6.9817 -9.270187 10.05141 
1 1 1  -22    3   82 o   38.409   10.527   7.8966   7.8932   5.1478   11.598   10.268   10.773   36.456   14.870   40.361   14.904 -3.904259 21.05353 
1 1 1  -22    3   83 o  103.570   7.8240   76.189   10.900   89.730   15.986   64.423   14.902  112.392   10.496   94.747   11.606 17.64464 15.64809 
1 1 1  -22    3   84 o   54.030   10.549   22.584   8.4131   13.464   11.993   31.420   11.805   43.943   15.800   64.116   13.981 -20.17333 21.09728 
1 1 1  -22    3   85 f   46.635   10.985   16.293   8.1861   19.246   11.750   13.508   11.411   49.787   15.635   43.484   15.435 6.302643 21.97035 
1 1 1  -22    3   86 o   37.693   9.8000   5.6984   7.6399  -6.0886   10.674   18.079   10.940   27.183   12.523   48.203   15.078 -21.01971 19.59998 
1 1 1  -22    4    1 o  526.420   7.6286  1908.45   47.976  1940.02   56.168  1823.30   92.256  534.827   7.7498  518.013   13.142 16.81409 15.25714 
1 1 1  -22    4    2 o  667.091   9.1421  3005.45   71.681  2987.57   82.724  3059.33  143.598  663.573   9.1995  670.610   15.801 -7.037354 18.28429 
1 1 1  -22    4    3 o  522.908   7.5350  1830.48   46.318  1805.33   53.355  1907.42   93.311  515.944   7.6311  529.871   12.995 -13.92688 15.07006 
1 1 1  -22    4    4 o  621.448   8.6465  2621.62   63.481  2620.35   73.552  2625.31  125.686  621.508   8.7331  621.389   14.926 0.1184692 17.29306 
1 1 1  -22    4    5 o  655.956   9.0446  2939.73   70.328  2958.09   81.770  2887.53  137.848  660.316   9.1382  651.595   15.611 8.720825 18.08921 
1 1 1  -22    4    6 o  902.140   11.952  5526.36  146.118  5526.36  146.118   0.0000   0.0000  902.140   11.952  ?   ?       ?      ? 
1 1 1  -22    4    7 f  354.978   6.0658  854.268   29.179  854.268   29.179   0.0000   0.0000  354.978   6.0658  ?   ?       ?      ? 
1 1 1  -22    4    8 o  439.685   6.7264  1320.09   35.267  1329.56   41.143  1293.87   68.473  442.818   6.8563  436.552   11.574 6.266022 13.45280 
1 1 1  -22    4    9 o  261.410   5.2234  471.201   16.541  481.247   19.548  445.869   31.041  266.449   5.4138  256.372   8.9346 10.07666 10.44684 
1 1 1  -22    4   10 o  601.312   8.4674  2491.21   60.794  2532.96   71.159  2378.40  116.977  611.084   8.5930  591.540   14.593 19.54376 16.93473 
1 1 1  -22    4   11 o  170.815   4.7837  196.832   10.117  195.388   12.042  200.295   18.651  169.779   5.2340  171.852   8.0087 -2.072174 9.567320 
1 1 1  -22    4   12 o  602.814   8.4544  2465.96   60.280  2464.47   69.883  2470.29  119.151  602.769   8.5553  602.860   14.585 -0.9057617E-01 16.90879 
1 1 1  -22    4   13 o  260.682   5.2034  460.010   16.465  459.014   19.364  462.609   31.283  260.220   5.4913  261.144   8.8400 -0.9242249 10.40672 
1 1 1  -22    4   14 o  444.336   5.9317  1339.10   35.715  1343.94   50.801  1334.38   50.222  445.127   8.4218  443.545   8.3555 1.581818 11.86345 
1 1 1  -22    4   15 o  357.483   5.2415  866.523   25.389  871.662   36.222  861.560   35.598  358.523   7.4553  356.443   7.3697 2.080139 10.48307 
1 1 1  -22    4   16 o  902.192   10.353  5532.94  126.575  5541.63  179.410  5524.33  178.600  902.893   14.663  901.491   14.620 1.401794 20.70610 
1 1 1  -22    4   17 o  674.864   8.0841  3091.06   73.917  3145.10  105.815  3039.55  103.300  680.618   11.473  669.109   11.392 11.50854 16.16812 
1 1 1  -22    4   18 o  629.625   7.6426  2690.63   65.205  2656.00   91.662  2726.10   92.777  625.524   10.813  633.726   10.803 -8.201660 15.28528 
1 1 1  -22    4   19 o  538.908   9.6396  1969.15   70.286  2049.25  102.987  1899.32   96.162  549.119   13.840  528.697   13.422 20.42279 19.27927 
1 1 1  -22    4   20 o  686.127   11.613  3196.68  107.980   0.0000   0.0000  3196.68  107.980  ?   ?   686.127   11.613      ?      ? 
1 1 1  -22    4   21 o  541.081   6.8281  1986.63   50.065  1965.79   70.536  2007.78   71.072  538.221   9.6709  543.941   9.6419 -5.720459 13.65623 
1 1 1  -22    4   22 o  283.508   4.8218  544.645   18.514  518.640   25.841  572.073   26.538  276.557   6.8951  290.459   6.7421 -13.90192 9.643552 
1 1 1  -22    4   23 o  169.398   4.5116  194.587   10.356  191.734   14.668  197.422   14.622  168.158   6.4369  170.637   6.3233 -2.478561 9.023155 
1 1 1  -22    4   24 o  891.656   10.274  5406.67  124.140  5448.88  176.502  5365.35  174.635  895.094   14.551  888.217   14.509 6.877625 20.54847 
1 1 1  -22    4   25 o  527.170   8.1743  1886.87   55.351  1885.32   68.161  1889.86   94.848  527.057   9.5433  527.284   13.274 -0.2270508 16.34852 
1 1 1  -22    4   26 o  346.766   7.4929  815.612   35.210  815.612   35.210   0.0000   0.0000  346.766   7.4929  ?   ?       ?      ? 
1 1 1  -22    4   27 o  856.489   12.124  4950.02  131.895  4861.15  159.981  5138.61  233.054  845.422   13.964  867.556   19.823 -22.13446 24.24787 
1 1 1  -22    4   28 f  323.816   5.1360  711.123   22.535  717.587   32.177  704.900   31.569  325.258   7.3002  322.374   7.2264 2.884766 10.27202 
1 1 1  -22    4   29 o  418.060   5.8157  1185.84   32.946  1168.01   46.441  1203.92   46.745  414.893   8.2601  421.228   8.1891 -6.334625 11.63149 
1 1 1  -22    4   30 o  325.316   5.1487  717.532   22.692  734.750   32.551  701.253   31.651  329.110   7.2985  321.522   7.2642 7.587616 10.29745 
1 1 1  -22    4   31 o  734.487   8.7281  3666.37   86.852  3741.03  124.508  3595.61  121.212  741.757   12.387  727.216   12.300 14.54144 17.45612 
1 1 1  -22    4   32 o  337.079   5.2302  769.707   23.873  805.574   34.546  736.924   33.028  344.583   7.3982  329.574   7.3950 15.00912 10.46039 
1 1 1  -22    4   33 o  624.414   7.6602  2648.70   64.806  2692.20   92.709  2607.13   90.627  629.420   10.869  619.408   10.797 10.01251 15.32030 
1 1 1  -22    4   34 o  446.253   6.0698  1351.80   36.703  1327.54   51.671  1376.51   52.145  442.208   8.6225  450.298   8.5453 -8.090576 12.13961 
1 1 1  -22    4   35 o  306.642   6.1976  641.552   24.263  629.125   41.867  647.836   29.773  304.286   10.153  308.999   7.1102 -4.712738 12.39526 
1 1 1  -22    4   36 f  265.679   6.0008  489.711   20.348  446.973   34.442  512.628   25.220  256.480   9.9095  274.878   6.7706 -18.39764 12.00163 
1 1 1  -22    4   37 o  350.750   6.6359  846.217   29.615  804.921   51.025  867.197   36.368  344.049   10.944  357.450   7.5080 -13.40054 13.27181 
1 1 1  -22    4   38 o  174.032   5.8466  208.398   12.793  198.210   22.546  213.236   15.537  170.780   9.7422  177.283   6.4670 -6.503052 11.69327 
1 1 1  -22    4   39 o  229.048   4.7218  355.467   14.644  369.887   21.228  342.371   20.229  233.473   6.7093  224.624   6.6457 8.848633 9.443569 
1 1 1  -22    4   40 o  171.651   4.7353  199.932   11.009  200.424   15.841  199.473   15.310  171.851   6.8023  171.451   6.5894 0.3999329 9.470552 
1 1 1  -22    4   41 o  593.364   7.4038  2394.92   59.531  2409.02   84.681  2381.14   83.706  595.084   10.501  591.644   10.440 3.440002 14.80770 
1 1 1  -22    4   42 o  250.471   4.8431  425.771   16.436  428.880   23.496  422.793   22.999  251.363   6.8978  249.579   6.8002 1.783783 9.686185 
1 1 1  -22    4   43 f  197.095   5.9602  260.088   14.853  253.488   17.908  274.637   26.588  193.242   6.8384  200.949   9.7638 -7.707230 11.92034 
1 1 1  -22    4   44 o  416.335   7.3209  1190.95   38.953  1214.69   47.983  1145.08   66.709  422.793   8.3749  409.877   12.010 12.91638 14.64186 
1 1 1  -22    4   45 o  450.355   6.1524  1378.69   37.547  1365.44   52.987  1392.06   53.212  448.177   8.7244  452.532   8.6771 -4.355438 12.30480 
1 1 1  -22    4   46 f  180.916   4.8093  222.387   11.780  212.001   16.687  232.706   16.633  176.693   6.9690  185.139   6.6295 -8.446594 9.618580 
1 1 1  -22    4   47 o  433.374   6.0341  1276.92   35.437  1275.68   50.231  1278.14   50.000  433.161   8.5574  433.588   8.5096 -0.4268188 12.06825 
1 1 1  -22    4   48 o  385.730   5.6657  1011.29   29.615  1014.30   42.033  1008.32   41.733  386.298   8.0294  385.162   7.9957 1.136017 11.33149 
1 1 1  -22    4   49 o  304.530   6.1783  632.274   24.351  635.786   30.295  625.862   40.933  305.906   7.3081  303.155   9.9639 2.750824 12.35665 
1 1 1  -22    4   50 o  156.833   5.7517  168.693   11.771  172.839   14.872  161.739   19.259  159.514   6.8802  154.152   9.2192 5.361099 11.50349 
1 1 1  -22    4   51 o  245.345   4.8823  408.843   16.230  415.014   23.172  402.900   22.741  247.160   6.9184  243.529   6.8908 3.631531 9.764591 
1 1 1  -22    4   52 o  373.638   5.6032  949.262   28.368  955.805   40.448  942.928   39.796  374.898   7.9616  372.377   7.8864 2.521301 11.20632 
1 1 1  -22    4   53 o  221.502   4.8970  333.076   14.681  339.577   21.378  327.274   20.197  223.533   7.0574  219.471   6.7907 4.062210 9.793955 
1 1 1  -22    4   54 o  136.728   6.1087  126.038   10.691  130.973   18.611  123.606   13.062  138.606   9.9084  134.850   7.1477 3.756195 12.21743 
1 1 1  -22    4   55 o  165.596   4.9260  186.256   11.050  192.112   15.878  180.755   15.389  168.118   6.9693  163.074   6.9636 5.044495 9.852022 
1 1 1  -22    4   56 o  277.771   6.2662  522.534   22.050  534.145   39.017  517.086   26.727  279.768   10.291  275.774   7.1518 3.994843 12.53246 
1 1 1  -22    4   57 o  279.615   6.2613  523.612   22.087  557.446   39.766  508.518   26.560  285.771   10.269  273.459   7.1672 12.31161 12.52256 
1 1 1  -22    4   58 o  212.278   4.9145  306.608   14.127  294.627   20.053  318.412   19.905  208.141   7.1095  216.415   6.7871 -8.273926 9.829004 
1 1 1  -22    4   59 f  129.524   7.8867  116.164   13.659  133.168   18.922   97.664   19.738  139.663   9.9980  119.385   12.200 20.27773 15.77343 
1 1 1  -22    4   60 o   87.693   9.9031   53.979   11.381   56.426   15.302   50.950   17.026   90.705   12.449   84.681   15.405 6.024017 19.80620 
1 1 1  -22    4   61 o  199.779   6.4304  265.909   16.126  255.980   19.276  289.062   29.436  193.944   7.3343  205.614   10.565 -11.66992 12.86083 
1 1 1  -22    4   62 o  218.262   5.0555  324.207   14.951  319.371   21.172  329.017   21.116  216.630   7.2121  219.894   7.0864 -3.263718 10.11097 
1 1 1  -22    4   63 o  265.988   5.1176  481.317   18.439  490.734   26.528  472.513   25.649  268.495   7.2909  263.481   7.1834 5.014099 10.23517 
1 1 1  -22    4   64 o  389.988   5.8102  1036.80   30.703  1016.94   43.226  1057.02   43.619  386.207   8.2592  393.769   8.1743 -7.561951 11.62038 
1 1 1  -22    4   65 o   94.953   6.4400   61.489   8.2800   64.903   11.953   58.340   11.480   97.488   9.0479   92.418   9.1669 5.069771 12.88006 
1 1 1  -22    4   66 o  322.125   5.4062  706.668   23.585  673.081   32.873  742.294   33.857  314.226   7.7200  330.025   7.5703 -15.79895 10.81242 
1 1 1  -22    4   67 f  438.087   7.5449  1331.33   42.782  1369.48   53.590  1264.28   71.038  447.681   8.8335  428.492   12.234 19.18909 15.08972 
1 1 1  -22    4   68 o  297.055   6.3382  602.027   24.410  598.453   30.351  608.572   41.074  296.208   7.5612  297.903   10.174 -1.695313 12.67633 
1 1 1  -22    4   69 o  118.504   6.8077   94.733   10.403  101.224   17.937   91.444   12.770  121.320   10.910  115.689   8.1454 5.630722 13.61544 
1 1 1  -22    4   70 o   90.617   6.5721   56.381   8.0578   54.127   11.562   58.509   11.236   88.817   9.6060   92.416   8.9719 -3.599113 13.14417 
1 1 1  -22    4   71 o  124.791   5.6628  106.395   9.5588  115.728   13.769   97.712   13.280  130.096   7.8103  119.485   8.2017 10.61040 11.32559 
1 1 1  -22    4   72 o  354.273   5.6306  859.113   27.029  869.727   38.597  848.900   37.862  356.406   7.9915  352.139   7.9342 4.266998 11.26122 
1 1 1  -22    4   73 o  176.180   6.5721  213.745   14.437  213.163   26.103  214.002   17.329  175.473   10.977  176.886   7.2295 -1.413574 13.14420 
1 1 1  -22    4   74 o  119.110   7.4507   95.373   11.252   90.425   13.536  106.437   20.243  114.663   8.7116  123.557   12.090 -8.893585 14.90150 
1 1 1  -22    4   75 o  105.117   6.1513   76.205   8.6990   88.222   12.483   64.859   12.129  113.293   8.1305   96.941   9.2331 16.35162 12.30267 
1 1 1  -22    4   76 o  233.865   5.0763  374.778   16.079  390.113   23.162  360.513   22.340  238.483   7.1669  229.247   7.1911 9.235489 10.15269 
1 1 1  -22    4   77 o  132.829   5.3842  121.435   9.6871  118.674   13.799  124.118   13.602  131.302   7.7555  134.356   7.4706 -3.053818 10.76836 
1 1 1  -22    4   78 o  224.113   5.0417  345.427   15.309  338.300   21.679  352.517   21.622  221.768   7.2136  226.458   7.0456 -4.690018 10.08345 
1 1 1  -22    4   79 o  179.751   5.0422  222.517   12.280  217.674   17.338  227.392   17.396  177.761   7.1975  181.741   7.0634 -3.979721 10.08444 
1 1 1  -22    4   80 o  159.857   5.1353  176.398   11.115  166.986   15.628  186.032   15.811  155.479   7.4175  164.236   7.1040 -8.757416 10.27064 
1 1 1  -22    4   81 o   99.731   5.9658   69.177   8.0563   73.062   11.603   65.560   11.195  102.457   8.3566   97.005   8.5164 5.452568 11.93152 
1 1 1  -22    4   82 o  137.381   7.1178  133.680   13.222  126.994   18.984  139.979   18.425  133.805   10.469  140.957   9.6460 -7.151566 14.23570 
1 1 1  -22    4   83 o  177.171   6.9022  221.538   16.547  234.717   24.213  209.989   22.665  182.059   9.8140  172.282   9.7082 9.777283 13.80447 
1 1 1  -22    4   84 o   53.983   10.485   21.565   8.5860   35.337   12.696   9.9581   11.655   67.758   14.277   40.208   15.359 27.54994 20.97025 
1 1 1  -22    4   85 o  124.490   7.2994  111.134   12.306  116.958   17.662  105.640   17.154  127.738   10.204  121.243   10.441 6.494202 14.59872 
1 1 1  -22    4   86 o  171.693   9.8233  211.263   22.856  211.263   22.856   0.0000   0.0000  171.693   9.8233  ?   ?       ?      ? 
1 1 1  -22    5    1 o  617.010   9.1133  2569.64   72.082  2533.05   88.293  2642.78  124.819  610.773   10.668  623.248   14.779 -12.47546 18.22652 
1 1 1  -22    5    2 o  298.494   9.1154  604.630   36.872   0.0000   0.0000  604.630   36.872  ?   ?   298.494   9.1154      ?      ? 
1 1 1  -22    5    3 f  194.881   4.7265  261.336   11.351  266.903   13.566  248.340   20.728  198.427   5.0450  191.335   7.9943 7.091431 9.453066 
1 1 1  -22    5    4 o  175.160   4.7242  213.230   10.237  221.364   12.326  195.145   18.379  180.709   5.0333  169.612   7.9961 11.09705 9.448394 
1 1 1  -22    5    5 o  507.836   7.3712  1738.43   44.321  1725.56   51.322  1776.18   87.902  504.398   7.5083  511.274   12.687 -6.875458 14.74239 
1 1 1  -22    5    6 o  575.993   8.1428  2249.71   55.580  2246.09   64.483  2260.19  109.619  575.412   8.2695  576.573   14.030 -1.161499 16.28557 
1 1 1  -22    5    7 o  445.292   6.7130  1318.17   35.268  1290.87   40.636  1401.50   71.001  436.303   6.8729  454.281   11.533 -17.97791 13.42598 
1 1 1  -22    5    8 o  499.099   7.4479  1689.42   50.374  1689.42   50.374   0.0000   0.0000  499.099   7.4479  ?   ?       ?      ? 
1 1 1  -22    5    9 o  310.080   5.4557  632.407   20.248  611.328   23.445  694.279   40.167  300.288   5.7614  319.871   9.2663 -19.58252 10.91140 
1 1 1  -22    5   10 o  299.398   5.3999  598.908   19.474  588.523   22.713  627.730   37.838  294.637   5.6886  304.159   9.1801 -9.522644 10.79974 
1 1 1  -22    5   11 o  463.218   7.3675  1456.94   43.944  1457.85   54.276  1455.20   74.870  463.560   8.6401  462.875   11.936 0.6851807 14.73505 
1 1 1  -22    5   12 o  295.199   5.4068  587.087   19.313  582.337   22.637  599.796   37.025  293.084   5.6995  297.314   9.1896 -4.230682 10.81355 
1 1 1  -22    5   13 o  305.234   5.7930  624.157   22.861  606.673   28.177  657.840   39.108  299.105   6.9517  311.363   9.2687 -12.25873 11.58597 
1 1 1  -22    5   14 f  513.755   7.4770  1774.38   45.473  1756.31   52.615  1827.71   90.391  508.872   7.6299  518.639   12.861 -9.767334 14.95404 
1 1 1  -22    5   15 o  450.081   8.3686  1375.04   51.020  1403.50   73.460  1348.52   70.914  454.569   11.925  445.592   11.744 8.976410 16.73713 
1 1 1  -22    5   16 o  598.169   7.3946  2426.83   59.910  2496.42   86.433  2362.49   83.116  606.408   10.518  589.930   10.397 16.47784 14.78924 
1 1 1  -22    5   17 o  518.248   6.6077  1821.77   46.393  1858.00   66.572  1787.55   64.688  523.252   9.3885  513.243   9.3007 10.00861 13.21545 
1 1 1  -22    5   18 o  174.645   6.3852  206.816   15.112  206.816   15.112   0.0000   0.0000  174.645   6.3852  ?   ?       ?      ? 
1 1 1  -22    5   19 o  191.671   6.2683  251.553   16.110  229.604   23.927  269.755   21.789  183.929   9.5996  199.413   8.0633 -15.48370 12.53666 
1 1 1  -22    5   20 o  301.004   6.9608  616.494   28.311  590.437   41.085  640.054   39.067  294.908   10.280  307.099   9.3874 -12.19092 13.92162 
1 1 1  -22    5   21 o  623.250   9.2524  2642.41   74.065  2646.62   91.259  2634.28  126.774  624.299   10.787  622.200   15.036 2.099365 18.50472 
1 1 1  -22    5   22 o  709.532   10.291  3423.89   93.585  3421.44  114.999  3428.68  161.035  709.627   11.959  709.438   16.750 0.1882935 20.58106 
1 1 1  -22    5   23 o  521.638   6.6716  1842.75   47.104  1938.25   68.667  1757.86   64.738  534.370   9.4824  508.906   9.3873 25.46469 13.34312 
1 1 1  -22    5   24 f  498.106   6.4566  1683.96   43.581  1668.51   61.556  1699.48   61.709  495.813   9.1616  500.399   9.1002 -4.586090 12.91313 
1 1 1  -22    5   25 o  219.601   6.6218  327.055   19.706  327.055   19.706   0.0000   0.0000  219.601   6.6218  ?   ?       ?      ? 
1 1 1  -22    5   26 o  424.501   7.2615  1232.32   39.380  1249.91   48.412  1197.90   67.706  429.178   8.3240  419.825   11.901 9.352539 14.52302 
1 1 1  -22    5   27 o  518.435   6.6686  1823.87   46.839  1778.64   65.409  1871.47   67.103  511.841   9.4301  525.028   9.4314 -13.18658 13.33715 
1 1 1  -22    5   28 o  589.685   7.3086  2361.66   58.399  2326.93   82.099  2397.23   83.089  585.295   10.351  594.075   10.321 -8.780029 14.61718 
1 1 1  -22    5   29 o  349.444   5.2875  828.015   25.031  848.275   35.956  808.964   34.867  353.588   7.5040  345.301   7.4514 8.287109 10.57510 
1 1 1  -22    5   30 o  591.751   7.3365  2378.97   58.831  2358.90   82.983  2399.25   83.417  589.239   10.392  594.263   10.358 -5.023376 14.67306 
1 1 1  -22    5   31 o  625.018   7.6691  2654.61   64.949  2681.70   92.701  2628.49   91.025  628.141   10.890  621.894   10.801 6.246948 15.33819 
1 1 1  -22    5   32 o  405.331   6.9508  1093.97   35.671  1177.83   63.967  1056.12   42.973  416.205   11.341  394.457   8.0392 21.74777 13.90163 
1 1 1  -22    5   33 o  383.706   6.7780  996.224   33.146  1011.83   57.897  988.615   40.427  385.766   11.075  381.647   7.8168 4.118988 13.55593 
1 1 1  -22    5   34 o  660.439   8.0021  2965.50   71.602  3019.01  102.575  2914.65   99.997  666.237   11.361  654.640   11.272 11.59644 16.00430 
1 1 1  -22    5   35 o  239.096   4.7310  387.971   15.314  366.584   21.553  409.779   21.764  232.432   6.8428  245.760   6.5349 -13.32828 9.461941 
1 1 1  -22    5   36 o  311.743   5.0809  658.914   21.452  679.643   30.981  639.821   29.734  316.445   7.2247  307.041   7.1461 9.404785 10.16182 
1 1 1  -22    5   37 o  447.100   7.4968  1360.01   42.603  1358.28   74.490  1360.85   51.936  446.596   12.308  447.604   8.5623 -1.008087 14.99363 
1 1 1  -22    5   38 o  254.744   4.8181  440.407   16.628  441.077   23.799  439.768   23.242  254.929   6.8891  254.560   6.7377 0.3694000 9.636139 
1 1 1  -22    5   39 o  177.882   4.6810  214.855   11.276  211.136   16.169  218.376   15.732  176.377   6.7649  179.388   6.4717 -3.011108 9.361997 
1 1 1  -22    5   40 o  198.908   4.7012  268.825   12.658  257.429   18.046  279.860   17.759  194.745   6.8381  203.072   6.4532 -8.327133 9.402302 
1 1 1  -22    5   41 o  383.232   5.6115  997.312   29.137  1012.58   41.705  982.754   40.723  386.092   7.9710  380.372   7.9005 5.720337 11.22292 
1 1 1  -22    5   42 o  350.442   5.3894  832.388   25.567  876.868   37.167  792.434   35.226  359.309   7.6333  341.575   7.6102 17.73431 10.77876 
1 1 1  -22    5   43 o  388.151   7.0136  1020.91   34.556  1013.11   41.989  1037.27   60.830  386.147   8.0242  390.154   11.505 -4.007690 14.02710 
1 1 1  -22    5   44 o  248.932   4.8587  420.770   16.389  419.753   23.296  421.766   23.061  248.631   6.9142  249.233   6.8279 -0.6020355 9.717316 
1 1 1  -22    5   45 o  211.379   4.7570  303.476   13.622  297.638   19.372  309.186   19.159  209.361   6.8281  213.397   6.6251 -4.036255 9.513949 
1 1 1  -22    5   46 o  153.122   4.9035  159.369   10.157  148.088   14.322  170.787   14.408  147.654   7.1575  158.591   6.7041 -10.93721 9.806929 
1 1 1  -22    5   47 o  286.098   6.0355  558.161   22.386  561.919   27.915  551.391   37.472  287.606   7.1623  284.590   9.7164 3.016174 12.07092 
1 1 1  -22    5   48 o  356.601   6.6519  880.078   30.782  919.804   38.846  813.040   50.462  367.856   7.7927  345.346   10.783 22.51025 13.30388 
1 1 1  -22    5   49 o  450.550   6.1929  1380.38   37.798  1414.26   54.312  1348.56   52.637  455.900   8.7912  445.199   8.7248 10.70120 12.38572 
1 1 1  -22    5   50 o  449.760   6.1794  1376.46   37.660  1386.23   53.638  1366.96   52.888  451.327   8.7701  448.193   8.7078 3.133667 12.35878 
1 1 1  -22    5   51 o  103.404   5.7839   72.953   8.0797   68.731   11.661   76.853   11.206  100.498   8.5621  106.311   7.7784 -5.812698 11.56772 
1 1 1  -22    5   52 o  209.634   4.8603  298.729   13.801  288.218   19.520  309.235   19.514  205.935   6.9948  213.333   6.7501 -7.398376 9.720656 
1 1 1  -22    5   53 o  428.298   7.3795  1248.26   40.296  1261.47   70.216  1241.78   49.206  429.484   12.064  427.113   8.5015 2.370880 14.75890 
1 1 1  -22    5   54 o  395.797   5.8681  1056.82   31.329  1173.85   47.099  963.939   41.957  415.261   8.3697  376.333   8.2272 38.92740 11.73619 
1 1 1  -22    5   55 o  201.046   6.0174  269.861   15.235  289.752   27.574  261.120   18.279  206.101   9.8728  195.990   6.8823 10.11072 12.03488 
1 1 1  -22    5   56 o  266.151   5.0480  481.567   18.201  487.374   26.124  476.089   25.373  267.701   7.2011  264.600   7.0762 3.100677 10.09595 
1 1 1  -22    5   57 o  192.972   4.9516  253.446   12.938  244.076   18.426  262.557   18.170  189.434   7.1778  196.511   6.8231 -7.077286 9.903285 
1 1 1  -22    5   58 o  573.133   7.3311  2243.95   56.937  2222.90   80.160  2265.37   80.886  570.420   10.370  575.846   10.365 -5.425659 14.66214 
1 1 1  -22    5   59 o  404.565   7.3661  1118.18   37.843  1117.42   46.090  1119.73   66.293  404.963   8.3986  404.166   12.104 0.7967834 14.73224 
1 1 1  -22    5   60 o  190.124   7.1570  245.954   18.439   0.0000   0.0000  245.954   18.439  ?   ?   190.124   7.1570      ?      ? 
1 1 1  -22    5   61 o  207.774   4.9687  293.724   13.988  294.606   19.952  292.871   19.617  208.075   7.0760  207.473   6.9774 0.6016388 9.937473 
1 1 1  -22    5   62 o  152.851   5.1754  159.243   10.703  149.109   15.158  169.317   15.113  147.972   7.5594  157.730   7.0707 -9.758041 10.35084 
1 1 1  -22    5   63 o  149.406   5.2758  152.054   10.677  151.105   15.309  152.953   14.897  148.939   7.5852  149.873   7.3350 -0.9337311 10.55167 
1 1 1  -22    5   64 o  319.292   6.5555  693.195   26.770  706.716   46.451  686.471   32.756  321.181   10.672  317.403   7.6156 3.777802 13.11095 
1 1 1  -22    5   65 o  193.898   6.1877  258.910   15.515  249.353   25.928  264.240   19.365  190.850   10.025  196.946   7.2557 -6.096451 12.37547 
1 1 1  -22    5   66 o  165.429   7.5596  186.594   16.947  186.594   16.947   0.0000   0.0000  165.429   7.5596  ?   ?       ?      ? 
1 1 1  -22    5   67 o  269.665   6.3078  491.576   21.839  479.701   26.742  515.356   37.844  265.214   7.4407  274.117   10.188 -8.903137 12.61559 
1 1 1  -22    5   68 f  210.776   6.0876  297.210   16.408  323.872   28.912  284.542   19.928  217.300   9.8182  204.253   7.1998 13.04744 12.17512 
1 1 1  -22    5   69 o  140.407   5.4812  134.830   10.415  131.438   15.009  137.980   14.464  138.667   7.9873  142.148   7.5086 -3.481369 10.96245 
1 1 1  -22    5   70 o  153.585   5.2819  161.295   10.983  157.926   15.777  164.463   15.298  151.995   7.6596  155.176   7.2748 -3.180893 10.56372 
1 1 1  -22    5   71 o  222.684   5.0722  338.895   15.303  336.944   21.841  340.777   21.447  222.031   7.2589  223.336   7.0863 -1.304703 10.14434 
1 1 1  -22    5   72 o   66.804   10.511   32.255   8.6362   31.178   16.326   32.673   10.177   64.907   17.956   68.701   10.931 -3.793945 21.02132 
1 1 1  -22    5   73 o  157.023   7.9588  171.060   16.913  183.645   24.351  159.328   23.510  162.667   11.047  151.378   11.461 11.28911 15.91764 
1 1 1  -22    5   74 o   49.027   9.9952   17.419   7.0067   17.743   9.8438   17.087   9.9754   49.430   14.039   48.624   14.231 0.8065529 19.99035 
1 1 1  -22    5   75 o   88.916   6.5866   54.550   7.9264   57.751   11.555   51.706   10.894   91.370   9.3322   86.462   9.2974 4.907608 13.17317 
1 1 1  -22    5   76 o  110.555   5.8947   84.642   8.7892   75.798   12.491   93.314   12.370  104.699   8.8037  116.411   7.8412 -11.71166 11.78938 
1 1 1  -22    5   77 o  250.438   5.1280  431.282   17.399  439.715   24.969  423.323   24.257  252.797   7.2885  248.078   7.2156 4.718826 10.25609 
1 1 1  -22    5   78 o  157.402   5.1981  170.594   11.081  178.957   15.951  162.796   15.404  161.143   7.3046  153.662   7.3976 7.481537 10.39625 
1 1 1  -22    5   79 o  248.596   5.1523  426.162   17.342  401.774   24.154  452.109   24.913  241.197   7.3898  255.994   7.1815 -14.79755 10.30452 
1 1 1  -22    5   80 o   85.871   6.6182   51.663   7.6967   49.401   10.840   53.963   10.930   83.923   9.5314   87.819   9.1845 -3.895409 13.23644 
1 1 1  -22    5   81 o   92.559   8.3484   61.509   10.453   65.891   14.855   57.212   14.712   95.992   11.420   89.125   12.181 6.866440 16.69683 
1 1 1  -22    5   82 o   46.670   9.5886   12.914   8.1021   31.120   11.644  -4.1762   11.281   63.957   13.836   29.382   13.279 34.57492 19.17725 
1 1 1  -22    5   83 o   56.409   10.733   24.615   8.5809   32.371   12.498   17.700   11.802   64.639   14.611   48.178   15.725 16.46092 21.46542 
1 1 1  -22    5   84 o  111.573   7.6718   89.711   11.537  102.185   16.646   78.179   16.005  119.371   10.290  103.775   11.381 15.59604 15.34351 
1 1 1  -22    5   85 o   54.417   10.836   23.579   8.4974   18.018   11.980   29.210   12.054   48.063   15.851   60.772   14.779 -12.70819 21.67200 
1 1 1  -22    6    1 f  392.448   6.1769  1048.51   29.150  1052.22   34.139  1038.50   56.003  393.893   6.3958  391.004   10.569 2.888702 12.35379 
1 1 1  -22    6    2 o  277.368   8.7617  522.157   32.933   0.0000   0.0000  522.157   32.933  ?   ?   277.368   8.7617      ?      ? 
1 1 1  -22    6    3 o  1112.71   15.415  8508.31  220.403  8581.29  272.300  8369.67  375.322  1121.49   17.917  1103.93   25.089 17.56665 30.82977 
1 1 1  -22    6    4 o  157.471   4.6530  168.861   9.2304  170.056   11.179  166.300   16.362  158.378   5.2088  156.565   7.7117 1.812912 9.306030 
1 1 1  -22    6    5 o  210.790   5.0767  299.007   14.121  291.299   17.918  311.644   22.942  207.256   6.3795  214.323   7.8990 -7.066818 10.15344 
1 1 1  -22    6    6 o  552.777   8.3686  2082.55   59.640  2096.58   73.885  2056.31  101.037  555.708   9.8113  549.847   13.560 5.861023 16.73718 
1 1 1  -22    6    7 o  344.968   6.1109  802.083   27.241  789.702   33.649  825.626   46.402  341.208   7.2773  348.727   9.8190 -7.519257 12.22184 
1 1 1  -22    6    8 o  578.225   10.107  2270.12   79.198  2270.12   79.198   0.0000   0.0000  578.225   10.107  ?   ?       ?      ? 
1 1 1  -22    6    9 o  553.110   9.7986  2076.91   73.444  2076.91   73.444   0.0000   0.0000  553.110   9.7986  ?   ?       ?      ? 
1 1 1  -22    6   10 o  149.236   5.7747  151.094   11.661  151.324   16.963  150.889   16.057  149.338   8.3819  149.134   7.9454 0.2037964 11.54930 
1 1 1  -22    6   11 f  774.425   12.768  4087.76  133.956  3978.43  186.725  4203.70  192.281  763.767   18.041  785.083   18.073 -21.31622 25.53670 
1 1 1  -22    6   12 o  155.041   5.0218  161.562   10.296  156.560   13.099  169.648   16.655  151.945   6.3616  158.137   7.7719 -6.191910 10.04351 
1 1 1  -22    6   13 o  549.280   8.3445  2052.82   59.001  2059.00   72.897  2041.08  100.461  550.723   9.7678  547.837   13.532 2.886658 16.68905 
1 1 1  -22    6   14 o  597.179   8.8884  2390.75   67.631  2328.70   82.117  2521.57  119.243  585.609   10.348  608.749   14.455 -23.13953 17.77680 
1 1 1  -22    6   15 f  348.377   5.8730  819.284   24.746  814.199   29.010  832.865   47.415  346.513   6.1780  350.241   9.9900 -3.728210 11.74596 
1 1 1  -22    6   16 o  573.928   8.1629  2237.66   55.723  2237.26   64.802  2238.80  109.158  574.208   8.3280  573.648   14.042 0.5602417 16.32580 
1 1 1  -22    6   17 o  211.479   4.9420  299.952   12.988  294.988   15.468  311.816   23.911  208.588   5.4723  214.370   8.2309 -5.782257 9.884020 
1 1 1  -22    6   18 o  168.283   4.9430  192.125   10.512  192.202   12.744  191.963   18.593  168.367   5.5854  168.199   8.1571 0.1678925 9.886083 
1 1 1  -22    6   19 o  1124.57   15.651  8662.47  224.565  8651.52  389.451  8667.92  274.861  1122.04   25.613  1127.10   17.996 -5.065308 31.30286 
1 1 1  -22    6   20 o  260.661   9.9573  461.375   35.172  461.375   35.172   0.0000   0.0000  260.661   9.9573  ?   ?       ?      ? 
1 1 1  -22    6   21 o  397.532   5.6125  1072.33   30.232  1069.44   43.037  1075.14   42.478  396.999   7.9996  398.065   7.8745 -1.065277 11.22508 
1 1 1  -22    6   22 o  548.763   6.9217  2044.76   51.469  2059.06   73.318  2030.87   72.271  550.650   9.8255  546.877   9.7519 3.772827 13.84339 
1 1 1  -22    6   23 o  840.292   9.7635  4804.36  111.159  4881.23  158.991  4730.86  155.472  846.853   13.854  833.732   13.761 13.12097 19.52691 
1 1 1  -22    6   24 o  455.620   6.0924  1408.76   37.609  1425.40   53.817  1392.87   52.579  458.244   8.6665  452.996   8.5652 5.248474 12.18486 
1 1 1  -22    6   25 o  205.463   4.5921  286.519   12.776  274.249   18.107  298.684   18.029  201.075   6.6451  209.852   6.3398 -8.776794 9.184252 
1 1 1  -22    6   26 o  393.346   6.9869  1057.96   35.059  1072.10   43.027  1030.03   60.475  397.453   7.9886  389.239   11.465 8.213959 13.97382 
1 1 1  -22    6   27 o  270.504   5.8948  508.853   20.443  457.343   34.131  537.670   25.529  259.479   9.7066  281.529   6.6915 -22.04993 11.78965 
1 1 1  -22    6   28 o  627.128   9.3506  2658.54   74.572  2732.60  131.166  2623.17   90.646  633.031   15.290  621.224   10.768 11.80676 18.70114 
1 1 1  -22    6   29 o  379.531   6.6879  978.123   32.469  979.521   56.107  977.419   39.812  379.577   10.908  379.486   7.7417 0.9082031E-01 13.37585 
1 1 1  -22    6   30 o  123.188   4.9650  103.544   8.2389   92.196   11.800  114.340   11.509  116.553   7.4707  129.823   6.5419 -13.26971 9.930097 
1 1 1  -22    6   31 o  201.524   4.5964  275.586   12.545  273.713   18.019  277.348   17.476  200.855   6.6201  202.194   6.3781 -1.339050 9.192747 
1 1 1  -22    6   32 o  477.852   6.3152  1550.89   40.891  1562.89   58.324  1539.29   57.345  479.664   8.9727  476.040   8.8893 3.623657 12.63049 
1 1 1  -22    6   33 o  211.080   4.6717  301.740   13.348  314.890   19.438  290.004   18.363  215.421   6.6584  206.738   6.5546 8.683182 9.343336 
1 1 1  -22    6   34 f  560.302   7.0666  2131.66   53.619  2209.27   77.599  2060.75   74.174  570.039   10.045  550.565   9.9417 19.47424 14.13328 
1 1 1  -22    6   35 o  620.750   7.6384  2621.01   64.245  2656.56   91.819  2586.92   89.923  624.863   10.843  616.637   10.761 8.225952 15.27682 
1 1 1  -22    6   36 o  389.311   6.9697  1033.58   34.436  1022.02   60.235  1039.20   41.971  387.444   11.472  391.178   7.9175 -3.734497 13.93934 
1 1 1  -22    6   37 o  368.271   6.7704  919.605   31.570  929.266   55.772  915.051   38.295  369.464   11.139  367.077   7.6985 2.386383 13.54080 
1 1 1  -22    6   38 o  125.658   5.0869  106.997   8.6505  111.093   12.639  103.388   11.865  127.912   7.2916  123.404   7.0949 4.508842 10.17376 
1 1 1  -22    6   39 o  543.862   6.9384  2010.79   51.119  2059.11   73.497  1965.52   71.146  550.177   9.8579  537.548   9.7667 12.62897 13.87686 
1 1 1  -22    6   40 o  270.629   4.8977  497.380   17.955  481.461   25.386  513.314   25.399  266.286   7.0349  274.972   6.8161 -8.685394 9.795402 
1 1 1  -22    6   41 o  246.583   4.8247  411.593   16.098  438.734   23.527  387.704   22.073  254.202   6.8299  238.963   6.8163 15.23946 9.649326 
1 1 1  -22    6   42 o  302.581   6.3671  621.418   24.458  619.144   29.750  626.159   42.959  301.923   7.2714  303.239   10.454 -1.316284 12.73420 
1 1 1  -22    6   43 o  170.432   6.1552  198.738   13.206  200.864   16.003  194.198   23.383  171.985   6.8664  168.878   10.218 3.106369 12.31041 
1 1 1  -22    6   44 o  346.091   5.3678  813.292   25.166  838.083   36.177  790.047   35.030  351.197   7.6014  340.986   7.5809 10.21063 10.73552 
1 1 1  -22    6   45 o  188.919   5.5629  237.430   13.749  223.959   17.111  261.980   23.098  181.582   6.9537  196.255   8.6851 -14.67386 11.12587 
1 1 1  -22    6   46 o  357.145   6.5802  872.683   30.439  883.718   37.975  852.853   50.908  360.566   7.7720  353.724   10.620 6.842682 13.16034 
1 1 1  -22    6   47 o  186.806   4.8202  237.013   12.191  237.956   17.641  236.150   16.866  187.152   6.9558  186.460   6.6749 0.6916962 9.640382 
1 1 1  -22    6   48 o  456.401   6.2387  1417.19   38.577  1441.06   55.256  1394.48   53.883  460.141   8.8615  452.662   8.7840 7.479309 12.47739 
1 1 1  -22    6   49 o  291.178   5.1126  576.095   20.168  582.707   28.929  569.843   28.131  292.795   7.2911  289.560   7.1692 3.234924 10.22529 
1 1 1  -22    6   50 o  299.099   5.1425  607.949   20.840  617.147   29.826  599.177   29.130  301.304   7.3048  296.893   7.2402 4.410583 10.28499 
1 1 1  -22    6   51 o  541.360   6.9866  1998.04   51.252  2008.70   72.896  1987.62   72.075  542.778   9.9106  539.942   9.8504 2.835327 13.97317 
1 1 1  -22    6   52 o  254.588   6.2138  448.328   20.053  421.378   34.675  461.872   24.581  248.507   10.297  260.668   6.9588 -12.16125 12.42750 
1 1 1  -22    6   53 o  386.008   8.0779  1014.12   42.255   0.0000   0.0000  1014.12   42.255  ?   ?   386.008   8.0779      ?      ? 
1 1 1  -22    6   54 o  119.405   6.9174   97.635   10.304   96.297   18.584   98.230   12.381  118.652   11.558  120.158   7.6037 -1.506096 13.83484 
1 1 1  -22    6   55 o  158.220   5.0310  170.318   10.781  167.828   15.429  172.694   15.072  157.079   7.2482  159.362   6.9791 -2.283401 10.06197 
1 1 1  -22    6   56 o  231.898   4.9376  365.850   15.511  356.162   22.004  375.419   21.869  228.831   7.0957  234.965   6.8681 -6.133240 9.875247 
1 1 1  -22    6   57 o   87.517   6.5982   52.982   7.6882   42.229   10.980   63.326   10.769   78.617   10.306   96.417   8.2418 -17.79996 13.19639 
1 1 1  -22    6   58 o  235.028   6.3958  376.927   19.006  377.213   23.064  376.323   33.552  235.448   7.2286  234.608   10.553 0.8400269 12.79164 
1 1 1  -22    6   59 o  137.992   5.4205  129.744   10.130  126.416   14.465  132.945   14.189  136.240   7.8351  139.745   7.4927 -3.504913 10.84108 
1 1 1  -22    6   60 o  222.410   4.9790  336.748   14.999  325.507   21.248  347.914   21.176  218.691   7.1698  226.129   6.9106 -7.437576 9.957976 
1 1 1  -22    6   61 o  128.341   5.5544  112.239   9.6507  112.024   13.951  112.435   13.364  128.207   8.0300  128.474   7.6761 -0.2674408 11.10875 
1 1 1  -22    6   62 o  487.922   6.6075  1625.91   43.680  1656.15   62.517  1597.06   61.056  492.343   9.3702  483.501   9.3186 8.842194 13.21497 
1 1 1  -22    6   63 o  186.359   5.0845  236.487   12.836  238.317   18.429  234.762   17.889  187.048   7.2705  185.669   7.1099 1.378922 10.16907 
1 1 1  -22    6   64 o   67.519   8.4525   31.799   7.5312   36.756   10.929   27.317   10.392   73.182   11.021   61.857   12.819 11.32499 16.90504 
1 1 1  -22    6   65 o  207.246   6.0319  296.886   16.299  306.967   20.632  280.149   26.584  212.230   7.1740  202.262   9.6988 9.967728 12.06373 
1 1 1  -22    6   66 o  173.932   5.1728  206.327   12.191  201.995   17.214  210.684   17.266  172.091   7.3815  175.774   7.2488 -3.682892 10.34560 
1 1 1  -22    6   67 o  213.655   6.2115  314.982   16.924  304.769   29.137  320.182   20.790  210.643   10.208  216.666   7.0809 -6.023285 12.42309 
1 1 1  -22    6   68 o  102.912   7.6502   75.323   9.8976   66.234   17.016   79.970   12.168   97.719   12.850  108.106   8.3057 -10.38676 15.30042 
1 1 1  -22    6   69 o   98.394   6.4807   67.455   8.5034   55.968   12.347   77.819   11.728   90.168   10.105  106.620   8.1170 -16.45277 12.96136 
1 1 1  -22    6   70 o  102.207   7.4844   70.504   9.7547   76.974   17.278   67.476   11.818  105.274   12.111   99.140   8.7969 6.134438 14.96883 
1 1 1  -22    6   71 o  276.332   7.8344  529.699   29.301  518.207   42.208  540.389   40.708  273.256   11.398  279.408   10.751 -6.152252 15.66883 
1 1 1  -22    6   72 o  307.709   6.7878  654.994   26.625  657.726   32.605  649.524   46.126  309.656   7.7699  305.762   11.132 3.894562 13.57565 
1 1 1  -22    6   73 o   89.532   8.4073   52.666   9.5064   47.336   11.303   65.548   17.572   82.645   10.093   96.420   13.449 -13.77573 16.81454 
1 1 1  -22    6   74 o  109.928   5.8327   83.269   8.6842   82.600   12.455   83.902   12.115  109.466   8.3959  110.390   8.0988 -0.9243774 11.66539 
1 1 1  -22    6   75 o  113.235   5.6929   88.411   8.7328   88.061   12.499   88.745   12.206  112.988   8.1631  113.482   7.9374 -0.4932327 11.38585 
1 1 1  -22    6   76 o   95.712   6.2805   63.800   8.1005   56.719   11.531   70.701   11.382   90.308   9.4221  101.117   8.3067 -10.80859 12.56097 
1 1 1  -22    6   77 o  122.998   5.5046  104.529   9.1743  105.039   13.071  104.034   12.880  123.281   7.8239  122.714   7.7454 0.5671921 11.00927 
1 1 1  -22    6   78 o  131.229   5.4693  119.625   9.6607  103.665   13.628  135.744   13.696  122.216   8.2288  140.241   7.2069 -18.02500 10.93856 
1 1 1  -22    6   79 o  116.136   5.7008   93.890   8.9391   84.558   12.605  103.334   12.679  110.179   8.4421  122.092   7.6635 -11.91303 11.40166 
1 1 1  -22    6   80 o  122.932   7.3971  107.100   12.316  111.350   17.761  103.162   17.094  125.279   10.462  120.585   10.461 4.693069 14.79430 
1 1 1  -22    6   81 f  114.256   7.6525   93.381   11.835   88.596   16.744   98.158   16.732  111.165   11.115  117.346   10.522 -6.180344 15.30504 
1 1 1  -22    6   82 o  135.163   7.2960  130.605   13.356  126.613   18.976  134.523   18.801  132.969   10.531  137.356   10.101 -4.386841 14.59204 
1 1 1  -22    6   83 o   46.861   10.929   16.468   8.2401   11.588   11.528   21.566   11.782   41.470   15.397   52.252   15.514 -10.78217 21.85740 
1 1 1  -22    6   84 o   68.695   10.196   36.830   9.1919   41.290   13.269   32.715   12.745   73.097   13.904   64.294   14.917 8.802872 20.39181 
1 1 1  -22    7    1 o  446.682   8.4070  1354.53   50.889  1354.53   50.889   0.0000   0.0000  446.682   8.4070  ?   ?       ?      ? 
1 1 1  -22    7    2 o  408.909   6.2991  1119.09   30.804  1101.27   35.793  1169.99   60.487  402.920   6.5554  414.897   10.758 -11.97678 12.59813 
1 1 1  -22    7    3 o  595.018   8.8712  2398.69   68.031  2376.21   83.916  2441.81  116.200  591.340   10.472  598.695   14.322 -7.354736 17.74241 
1 1 1  -22    7    4 o  695.261   10.155  3347.88   92.096  3515.46  117.185  3077.17  148.938  718.951   12.028  671.571   16.366 47.38007 20.31014 
1 1 1  -22    7    5 o  567.623   8.0919  2226.40   55.352  2271.05   65.196  2111.15  104.756  578.431   8.3174  556.816   13.883 21.61523 16.18389 
1 1 1  -22    7    6 o  177.113   5.6709  213.692   13.559  199.789   19.615  226.413   18.763  171.560   8.4370  182.666   7.5799 -11.10570 11.34189 
1 1 1  -22    7    7 f  570.104   8.1023  2237.55   55.453  2271.14   65.082  2148.58  105.937  578.455   8.3025  561.752   13.916 16.70264 16.20466 
1 1 1  -22    7    8 o  350.357   5.8079  821.512   24.530  808.099   28.631  858.529   47.564  345.186   6.1206  355.528   9.8724 -10.34210 11.61581 
1 1 1  -22    7    9 o  341.834   6.0736  792.464   28.135  792.464   28.135   0.0000   0.0000  341.834   6.0736  ?   ?       ?      ? 
1 1 1  -22    7   10 o  151.527   4.9722  160.309   9.4592  168.757   11.570  143.283   16.426  157.760   5.4121  145.294   8.3426 12.46648 9.944342 
1 1 1  -22    7   11 o  701.444   10.171  3352.18   91.679  3355.11  113.009  3346.53  156.796  702.462   11.872  700.426   16.519 2.035828 20.34255 
1 1 1  -22    7   12 o  153.422   5.0353  156.380   10.257  144.365   13.052  175.787   16.587  145.888   6.6019  160.956   7.6049 -15.06758 10.07070 
1 1 1  -22    7   13 o  324.986   5.7368  733.552   22.758  756.914   27.105  677.727   41.899  334.082   5.9870  315.890   9.7878 18.19275 11.47369 
1 1 1  -22    7   14 o  341.353   5.8331  796.113   24.141  802.747   28.447  779.042   45.633  344.042   6.1016  338.664   9.9433 5.377777 11.66616 
1 1 1  -22    7   15 o  584.594   8.2714  2326.18   57.517  2329.06   66.917  2318.04  112.534  585.769   8.4300  583.420   14.234 2.348755 16.54286 
1 1 1  -22    7   16 o  167.150   4.7917  185.590   10.150  178.826   12.232  200.544   18.186  162.393   5.5582  171.907   7.8068 -9.513428 9.583330 
1 1 1  -22    7   17 o  556.544   7.9718  2105.41   52.791  2105.26   61.410  2105.84  103.334  556.940   8.1367  556.149   13.711 0.7907715 15.94357 
1 1 1  -22    7   18 o  727.516   9.9478  3656.37   86.520  3716.84  101.355  3493.95  166.103  739.663   10.112  715.368   17.134 24.29480 19.89551 
1 1 1  -22    7   19 o  575.161   8.7907  2285.58   65.952  2390.74   83.809  2114.56  106.882  593.153   10.427  557.169   14.156 35.98340 17.58131 
1 1 1  -22    7   20 o  404.979   8.1088  1115.83   44.378  1106.37   65.077  1124.05   60.674  403.318   11.907  406.639   11.011 -3.321167 16.21754 
1 1 1  -22    7   21 o  458.484   7.4477  1425.02   43.648  1439.50   75.691  1417.81   53.426  459.997   12.142  456.972   8.6274 3.024109 14.89531 
1 1 1  -22    7   22 o  156.158   5.4126  164.497   10.802  168.496   18.805  162.527   13.197  157.525   8.8092  154.791   6.2915 2.733658 10.82519 
1 1 1  -22    7   23 o  516.636   8.0461  1788.38   52.679  1890.60   93.907  1741.43   63.635  526.930   13.151  506.342   9.2740 20.58859 16.09218 
1 1 1  -22    7   24 o  167.102   4.5507  188.932   10.275  195.586   15.223  183.365   13.925  169.791   6.6161  164.412   6.2501 5.378723 9.101441 
1 1 1  -22    7   25 o  187.808   5.6643  230.516   13.501  215.457   16.202  264.724   24.420  178.201   6.7094  197.414   9.1281 -19.21292 11.32864 
1 1 1  -22    7   26 o  317.836   6.3791  700.311   25.915  731.661   32.149  642.141   43.792  328.344   7.2252  307.327   10.515 21.01736 12.75813 
1 1 1  -22    7   27 o  656.097   7.9451  2925.80   70.605  3009.95  101.812  2847.83   97.999  665.164   11.295  647.029   11.177 18.13446 15.89016 
1 1 1  -22    7   28 o  174.340   4.6182  205.823   10.895  213.446   15.938  199.136   14.927  177.361   6.6311  171.319   6.4296 6.041321 9.236418 
1 1 1  -22    7   29 o  382.889   5.5346  994.161   28.698  1029.32   41.523  962.006   39.708  389.358   7.8697  376.419   7.7844 12.93872 11.06928 
1 1 1  -22    7   30 o  354.698   5.3374  853.900   25.649  864.524   36.736  843.794   35.829  356.845   7.5968  352.550   7.4994 4.295471 10.67484 
1 1 1  -22    7   31 o  276.370   4.8592  518.577   18.190  499.997   25.733  537.129   25.715  271.412   6.9966  281.327   6.7451 -9.914856 9.718440 
1 1 1  -22    7   32 o  255.521   4.7809  443.304   16.548  434.839   23.589  451.506   23.220  253.111   6.8773  257.931   6.6431 -4.820251 9.561756 
1 1 1  -22    7   33 o  468.729   6.2517  1493.11   39.709  1489.10   56.379  1497.06   55.938  468.097   8.8878  469.362   8.7945 -1.265381 12.50350 
1 1 1  -22    7   34 o  259.177   4.8020  456.166   16.858  445.207   23.995  466.848   23.690  256.094   6.9141  262.261   6.6656 -6.167419 9.603937 
1 1 1  -22    7   35 o  322.023   5.1709  704.295   22.558  697.166   32.209  711.158   31.603  320.413   7.4180  323.633   7.2059 -3.219543 10.34172 
1 1 1  -22    7   36 f  242.372   5.9577  400.924   18.152  394.589   32.289  403.852   21.949  240.831   9.8936  243.914   6.6403 -3.082657 11.91540 
1 1 1  -22    7   37 f  242.941   4.7776  400.848   15.722  392.452   22.394  409.010   22.079  240.423   6.8734  245.459   6.6376 -5.036560 9.555143 
1 1 1  -22    7   38 o  146.955   4.8735  146.876   9.6869  141.624   13.975  151.732   13.439  144.411   7.1414  149.499   6.6336 -5.087891 9.746965 
1 1 1  -22    7   39 o  265.207   4.8994  477.624   17.606  477.224   25.093  478.013   24.708  265.093   6.9851  265.321   6.8719 -0.2284851 9.798736 
1 1 1  -22    7   40 o  380.642   5.5977  984.654   28.874  983.406   40.981  985.883   40.688  380.398   7.9498  380.887   7.8829 -0.4883728 11.19550 
1 1 1  -22    7   41 o  100.757   5.7109   69.196   7.7738   63.703   11.080   74.521   10.910   96.792   8.4471  104.721   7.6877 -7.928482 11.42171 
1 1 1  -22    7   42 o  327.912   7.4910  730.647   33.287  730.647   33.287   0.0000   0.0000  327.912   7.4910  ?   ?       ?      ? 
1 1 1  -22    7   43 o  362.081   6.6551  907.664   31.314  950.715   39.614  835.960   51.124  373.982   7.8165  350.180   10.773 23.80167 13.31029 
1 1 1  -22    7   44 o  192.761   4.7816  251.931   12.478  263.167   18.141  241.840   17.191  196.830   6.8012  188.692   6.7231 8.138809 9.563244 
1 1 1  -22    7   45 o  126.437   5.1751  108.704   8.8558  107.371   12.806  109.926   12.260  125.683   7.5190  127.190   7.1128 -1.507668 10.35025 
1 1 1  -22    7   46 o  141.107   5.0048  135.209   9.5607  137.439   13.877  133.193   13.191  142.207   7.2009  140.008   6.9525 2.199112 10.00950 
1 1 1  -22    7   47 o  444.209   6.1326  1341.74   36.896  1385.54   53.249  1301.28   51.171  451.168   8.7094  437.250   8.6360 13.91727 12.26521 
1 1 1  -22    7   48 o  397.937   5.7790  1077.48   31.162  1074.74   44.302  1080.16   43.840  397.427   8.2258  398.448   8.1193 -1.021179 11.55798 
1 1 1  -22    7   49 o  143.623   5.1206  140.697   9.9335  131.040   14.280  149.751   13.827  138.809   7.5917  148.438   6.8738 -9.629257 10.24125 
1 1 1  -22    7   50 o  249.911   6.0329  423.060   19.126  431.470   33.738  419.078   23.216  251.522   9.8983  248.301   6.8998 3.220749 12.06575 
1 1 1  -22    7   51 o  127.875   6.7492  110.580   10.689  113.762   19.732  109.259   12.716  129.006   11.287  126.744   7.4036 2.262230 13.49831 
1 1 1  -22    7   52 o  151.548   6.6122  166.005   12.341  132.292   21.378  182.855   15.114  139.090   11.342  164.005   6.8003 -24.91566 13.22440 
1 1 1  -22    7   53 o  195.977   4.9064  261.219   13.023  259.311   18.683  263.022   18.164  195.269   7.0603  196.686   6.8149 -1.417328 9.812807 
1 1 1  -22    7   54 o  118.445   5.5347   95.033   8.8468  108.155   12.975   83.635   12.094  126.063   7.5954  110.826   8.0525 15.23734 11.06947 
1 1 1  -22    7   55 o   55.042   9.2890   21.343   6.8437   25.801   10.197   17.689   9.2319   60.195   12.889   49.890   13.380 10.30484 18.57793 
1 1 1  -22    7   56 o  196.907   5.0954  264.261   13.573  250.782   19.400  277.187   18.998  191.950   7.4580  201.863   6.9448 -9.913040 10.19076 
1 1 1  -22    7   57 o  193.089   6.3598  254.209   15.616  253.960   19.042  254.721   27.291  193.170   7.2743  193.007   10.434 0.1633759 12.71965 
1 1 1  -22    7   58 o  207.088   6.2943  290.970   16.541  288.016   20.084  297.200   29.164  205.708   7.2045  208.469   10.323 -2.760361 12.58870 
1 1 1  -22    7   59 o   98.453   6.2011   66.062   8.2638   70.678   11.883   61.739   11.500  101.791   8.6147   95.114   8.9219 6.677208 12.40219 
1 1 1  -22    7   60 o  104.395   6.0260   74.478   8.5039   72.221   12.354   76.511   11.723  102.860   8.8631  105.930   8.1666 -3.069801 12.05193 
1 1 1  -22    7   61 o  217.992   5.0049  323.667   14.779  320.384   21.137  326.807   20.672  216.893   7.1915  219.091   6.9627 -2.198578 10.00986 
1 1 1  -22    7   62 o  132.886   5.4961  120.604   9.8808  114.426   14.114  126.542   13.837  129.513   8.0418  136.258   7.4938 -6.744736 10.99219 
1 1 1  -22    7   63 o  143.086   6.2552  138.879   11.834  135.264   15.069  144.695   19.114  140.801   7.8975  145.371   9.7027 -4.569626 12.51050 
1 1 1  -22    7   64 o  117.555   6.6164   91.135   10.328   77.539   13.107  113.398   16.773  106.451   9.0862  128.658   9.6202 -22.20645 13.23284 
1 1 1  -22    7   65 o  311.564   5.3582  662.375   22.615  670.214   32.501  655.018   31.487  313.327   7.6545  309.801   7.5000 3.526245 10.71642 
1 1 1  -22    7   66 f  152.190   6.3368  151.462   12.175  178.658   22.344  139.977   14.520  161.208   10.228  143.173   7.4840 18.03476 12.67370 
1 1 1  -22    7   67 o  202.687   6.1204  281.566   15.761  281.393   27.559  281.651   19.214  202.242   10.056  203.132   6.9800 -0.8899689 12.24071 
1 1 1  -22    7   68 o  190.634   5.0470  248.011   13.026  255.102   18.914  241.612   17.967  193.203   7.2240  188.064   7.0500 5.139206 10.09401 
1 1 1  -22    7   69 o  232.020   6.3140  370.958   18.421  367.349   32.752  372.628   22.280  230.572   10.482  233.469   7.0420 -2.897675 12.62790 
1 1 1  -22    7   70 o  211.820   6.3634  305.574   16.872  317.497   30.605  300.368   20.223  214.137   10.547  209.504   7.1232 4.632477 12.72685 
1 1 1  -22    7   71 o  221.153   6.4032  335.535   18.020  332.298   21.952  342.224   31.552  220.177   7.3573  222.128   10.482 -1.951157 12.80636 
1 1 1  -22    7   72 o  143.520   6.7749  144.202   12.266  147.231   14.948  137.959   21.460  146.434   7.5331  140.607   11.263 5.827042 13.54973 
1 1 1  -22    7   73 o  138.860   5.3726  132.855   10.084  122.503   14.307  143.074   14.215  133.387   7.9148  144.333   7.2675 -10.94550 10.74527 
1 1 1  -22    7   74 o   90.224   6.5352   56.500   7.9841   56.238   11.503   56.742   11.091   89.978   9.4339   90.470   9.0464 -0.4917908 13.07042 
1 1 1  -22    7   75 o  141.629   6.4357  137.277   11.622  145.775   20.450  133.223   14.125  144.246   10.462  139.012   7.4983 5.234131 12.87150 
1 1 1  -22    7   76 o   38.307   10.331   8.2783   7.3399   4.9407   12.561   10.009   9.0448   37.578   15.418   39.036   13.754 -1.458031 20.66158 
1 1 1  -22    7   77 o   49.921   10.951   16.012   7.8831   10.778   9.5041   27.552   14.112   40.128   14.103   59.714   16.756 -19.58623 21.90122 
1 1 1  -22    7   78 o  175.019   6.4523  210.331   14.148  203.585   16.926  225.974   25.775  171.497   7.2830  178.542   10.653 -7.045380 12.90463 
1 1 1  -22    7   79 o  100.553   8.2196   72.326   11.133   83.788   16.258   62.207   15.276  108.286   11.079   92.821   12.145 15.46481 16.43921 
1 1 1  -22    7   80 o   97.292   8.3828   67.581   10.932   82.998   16.429   55.330   14.645  107.409   11.287   87.176   12.397 20.23338 16.76551 
1 1 1  -22    7   81 o   77.840   9.3496   44.819   9.5851   53.020   14.353   38.218   12.877   85.050   12.454   70.630   13.949 14.41982 18.69924 
1 1 1  -22    7   82 o   43.589   10.708   13.543   8.1836   6.2588   12.144   19.603   11.076   37.188   15.198   49.990   15.088 -12.80185 21.41514 
1 1 1  -22    7   83 o   74.846   10.048   42.976   9.7464   48.449   14.954   38.935   12.851   78.811   14.538   70.881   13.875 7.930054 20.09664 
1 1 1  -22    8    1 o  473.626   8.5304  1522.02   54.650  1619.19   80.281  1438.11   74.604  487.648   12.149  459.605   11.978 28.04346 17.06075 
1 1 1  -22    8    2 o  315.347   6.6175  675.097   28.260  692.418   40.889  659.256   39.103  319.207   9.4526  311.487   9.2637 7.719574 13.23510 
1 1 1  -22    8    3 o  207.980   6.2537  287.190   17.118  321.040   28.381  267.834   21.461  217.346   9.6360  198.614   7.9738 18.73187 12.50733 
1 1 1  -22    8    4 o  150.713   5.0029  156.540   10.041  171.311   13.441  137.890   15.103  158.908   6.2419  142.517   7.8201 16.39105 10.00572 
1 1 1  -22    8    5 o  507.073   7.8058  1721.33   50.684  1667.39   61.775  1832.42   88.654  495.407   9.2017  518.739   12.611 -23.33179 15.61155 
1 1 1  -22    8    6 o  136.997   4.8753  126.251   8.9945  118.041   11.939  137.028   13.678  131.898   6.6794  142.097   7.1034 -10.19925 9.750545 
1 1 1  -22    8    7 o  137.075   4.9691  125.312   9.1479  110.650   12.012  145.559   14.115  127.695   6.9415  146.455   7.1123 -18.75951 9.938235 
1 1 1  -22    8    8 o  590.768   10.340  2372.55   82.779  2372.55   82.779   0.0000   0.0000  590.768   10.340  ?   ?       ?      ? 
1 1 1  -22    8    9 o  272.675   6.7668  504.490   25.004  504.490   25.004   0.0000   0.0000  272.675   6.7668  ?   ?       ?      ? 
1 1 1  -22    8   10 o  434.380   7.0247  1248.68   38.989  1186.19   47.234  1382.32   69.071  417.964   8.3393  450.796   11.307 -32.83179 14.04934 
1 1 1  -22    8   11 o  276.504   5.5865  515.622   20.221  506.184   25.381  532.018   33.456  273.128   6.8575  279.879   8.8211 -6.751465 11.17304 
1 1 1  -22    8   12 o  419.283   6.9215  1195.64   37.617  1198.08   46.839  1191.20   63.133  420.066   8.2283  418.499   11.132 1.567413 13.84306 
1 1 1  -22    8   13 f  271.077   5.6174  504.064   20.001  521.362   25.578  476.845   32.086  277.194   6.8092  264.960   8.9362 12.23422 11.23481 
1 1 1  -22    8   14 o  595.688   8.3933  2420.01   59.544  2425.84   69.346  2403.66  116.167  597.674   8.5620  593.701   14.439 3.971985 16.78653 
1 1 1  -22    8   15 f  136.501   4.6982  121.535   8.3066  111.015   10.153  142.833   14.446  127.933   5.8563  145.069   7.3482 -17.13603 9.396461 
1 1 1  -22    8   16 o  133.613   4.6997  117.042   8.1302  108.224   9.9490  134.767   14.106  126.315   5.8122  140.911   7.3870 -14.59574 9.399449 
1 1 1  -22    8   17 o  463.460   7.1068  1517.56   40.199  1602.41   48.214  1324.06   72.808  485.895   7.3223  441.024   12.182 44.87076 14.21358 
1 1 1  -22    8   18 o  151.529   5.4612  156.815   11.145  168.639   15.343  143.607   16.216  157.632   7.1826  145.426   8.2285 12.20601 10.92233 
1 1 1  -22    8   19 o  201.433   5.4181  277.116   14.587  286.473   19.294  264.635   22.285  205.460   6.9298  197.406   8.3306 8.054474 10.83611 
1 1 1  -22    8   20 o  303.167   5.4848  610.680   20.131  595.072   23.508  653.601   38.982  296.186   5.8569  310.147   9.2751 -13.96167 10.96951 
1 1 1  -22    8   21 o  492.261   7.2658  1606.70   42.121  1566.62   48.444  1730.89   85.269  480.402   7.4414  504.119   12.482 -23.71747 14.53167 
1 1 1  -22    8   22 o  221.925   5.0345  331.293   13.842  327.002   16.463  341.646   25.568  219.570   5.5329  224.280   8.4126 -4.710236 10.06899 
1 1 1  -22    8   23 o  268.423   5.3043  488.051   17.442  486.595   20.632  491.697   32.652  267.834   5.6846  269.012   8.9570 -1.178253 10.60859 
1 1 1  -22    8   24 o  295.537   6.1479  594.340   23.125  596.200   28.243  590.557   40.280  296.375   7.0322  294.698   10.086 1.676880 12.29578 
1 1 1  -22    8   25 o  412.291   7.1574  1166.38   37.736  1188.27   46.494  1124.14   64.595  418.269   8.2028  406.312   11.732 11.95667 14.31485 
1 1 1  -22    8   26 o  230.010   4.6415  358.762   14.459  366.424   20.891  351.717   20.031  232.361   6.6345  227.658   6.4930 4.702911 9.283083 
1 1 1  -22    8   27 o  423.120   5.8561  1214.13   33.548  1265.53   48.727  1167.82   46.256  431.612   8.3310  414.628   8.2324 16.98410 11.71228 
1 1 1  -22    8   28 o  333.468   5.1784  752.525   23.362  803.331   34.226  708.201   31.968  343.970   7.3426  322.966   7.3042 21.00458 10.35684 
1 1 1  -22    8   29 o  121.553   4.9413  100.977   8.0847   90.795   11.699  110.284   11.185  115.632   7.4661  127.474   6.4749 -11.84193 9.882670 
1 1 1  -22    8   30 o  294.513   4.9536  588.973   19.765  583.767   28.191  594.006   27.719  293.226   7.0946  295.801   6.9151 -2.575470 9.907205 
1 1 1  -22    8   31 o  171.745   4.6176  200.454   10.732  194.313   15.438  206.198   14.930  169.187   6.7335  174.304   6.3207 -5.116653 9.235298 
1 1 1  -22    8   32 o  250.963   4.7591  426.631   16.167  448.463   23.552  407.179   22.231  257.019   6.7620  244.907   6.6986 12.11137 9.518188 
1 1 1  -22    8   33 o  261.705   4.8197  464.768   17.084  472.099   24.623  457.962   23.724  263.688   6.8907  259.721   6.7406 3.966400 9.639367 
1 1 1  -22    8   34 o  206.967   4.6696  290.162   13.076  301.954   19.154  279.870   17.895  210.890   6.7023  203.044   6.5037 7.846512 9.339113 
1 1 1  -22    8   35 o  231.917   5.8191  351.293   16.847  402.189   31.414  330.743   19.961  243.124   9.5347  220.710   6.6737 22.41376 11.63829 
1 1 1  -22    8   36 o  359.552   5.4258  878.402   26.434  878.157   37.622  878.640   37.151  359.496   7.7225  359.608   7.6235 -0.1118164 10.85154 
1 1 1  -22    8   37 f  384.122   5.6162  1001.39   29.213  1043.73   42.296  962.774   40.397  391.871   7.9647  376.374   7.9203 15.49734 11.23248 
1 1 1  -22    8   38 f  156.747   5.6261  168.446   11.611  173.432   14.885  160.699   18.555  159.798   6.8739  153.695   8.9086 6.102051 11.25225 
1 1 1  -22    8   39 o  296.339   6.0484  599.109   23.282  603.776   29.110  590.822   38.786  298.109   7.2057  294.569   9.7164 3.540314 12.09671 
1 1 1  -22    8   40 o  277.507   5.0372  523.067   18.940  511.498   26.540  535.074   27.038  274.380   7.1378  280.635   7.1096 -6.255310 10.07445 
1 1 1  -22    8   41 o   43.817   10.798   10.121   7.4695   6.9016   8.9795   17.353   13.458   36.416   13.575   51.218   16.796 -14.80205 21.59568 
1 1 1  -22    8   42 o  337.500   5.3189  773.447   24.311  798.379   35.144  750.568   33.666  342.703   7.5674  332.297   7.4763 10.40680 10.63773 
1 1 1  -22    8   43 o  256.287   4.9036  446.565   17.020  436.118   24.305  456.618   23.841  253.329   7.0800  259.245   6.7864 -5.916656 9.807215 
1 1 1  -22    8   44 o  279.699   5.0046  531.649   18.965  533.643   27.103  529.737   26.547  280.205   7.1378  279.193   7.0167 1.012756 10.00912 
1 1 1  -22    8   45 o  141.405   5.0339  135.792   9.6349  138.329   14.019  133.520   13.264  142.648   7.2523  140.163   6.9832 2.484818 10.06776 
1 1 1  -22    8   46 o  210.604   4.8317  301.322   13.781  304.504   19.892  298.384   19.109  211.663   6.9351  209.544   6.7295 2.118866 9.663366 
1 1 1  -22    8   47 o  234.023   5.8634  358.082   17.336  413.278   31.657  334.439   20.719  246.230   9.4872  221.816   6.8928 24.41426 11.72681 
1 1 1  -22    8   48 o  158.380   6.1058  171.130   12.191  170.031   21.617  171.643   14.763  157.856   10.106  158.903   6.8557 -1.046951 12.21158 
1 1 1  -22    8   49 o  156.258   6.0404  159.211   11.915  185.738   21.835  147.962   14.219  165.008   9.7648  147.509   7.1131 17.49910 12.08086 
1 1 1  -22    8   50 o  289.033   6.2920  569.393   23.041  569.150   40.534  569.508   28.006  288.690   10.361  289.375   7.1418 -0.6856384 12.58401 
1 1 1  -22    8   51 o  247.534   6.2174  427.511   19.424  389.404   33.562  446.704   23.818  238.760   10.373  256.308   6.8576 -17.54752 12.43485 
1 1 1  -22    8   52 o  245.533   4.9662  409.364   16.508  425.824   24.000  394.583   22.742  250.202   7.0785  240.864   6.9676 9.338226 9.932385 
1 1 1  -22    8   53 o  150.057   5.2279  151.618   10.573  173.599   15.889  134.147   14.166  159.720   7.3408  140.394   7.4456 19.32556 10.45586 
1 1 1  -22    8   54 o  195.467   5.0792  260.180   13.433  256.273   19.471  263.728   18.555  194.040   7.4049  196.895   6.9543 -2.854630 10.15844 
1 1 1  -22    8   55 o  198.006   5.0012  266.627   13.411  270.883   19.377  262.714   18.579  199.510   7.1672  196.501   6.9771 3.008911 10.00245 
1 1 1  -22    8   56 o  282.231   6.5366  551.843   23.495  568.529   28.931  519.521   40.265  288.972   7.3880  275.490   10.785 13.48190 13.07324 
1 1 1  -22    8   57 o  191.208   6.3021  243.732   15.274  233.753   18.400  265.853   27.395  185.283   7.3282  197.133   10.255 -11.85062 12.60416 
1 1 1  -22    8   58 o  283.035   5.1489  545.412   19.743  551.185   28.305  539.941   27.553  284.481   7.3422  281.589   7.2205 2.892914 10.29772 
1 1 1  -22    8   59 o   73.812   7.6091   37.160   7.5800   42.218   11.118   32.767   10.361   78.506   10.451   69.117   11.062 9.388367 15.21819 
1 1 1  -22    8   60 o  154.346   5.1952  162.252   10.848  163.815   15.838  160.870   14.889  155.022   7.5391  153.669   7.1501 1.353531 10.39044 
1 1 1  -22    8   61 f  172.327   5.9756  201.066   13.559  195.590   17.140  210.223   22.164  169.370   7.4678  175.284   9.3307 -5.914246 11.95113 
1 1 1  -22    8   62 o  236.571   5.9781  382.632   18.469  383.086   23.220  381.849   30.471  237.034   7.2290  236.109   9.5233 0.9250946 11.95628 
1 1 1  -22    8   63 o  216.363   5.0214  319.270   14.710  318.986   21.243  319.532   20.389  216.241   7.2494  216.485   6.9500 -0.2441254 10.04274 
1 1 1  -22    8   64 o  139.522   5.4202  133.930   10.171  118.190   14.637  148.624   14.142  131.454   8.2166  147.589   7.0711 -16.13518 10.84035 
1 1 1  -22    8   65 o  111.647   7.2212   86.803   10.060   83.128   17.972   88.480   12.141  109.554   12.105  113.740   7.8766 -4.185974 14.44234 
1 1 1  -22    8   66 o  175.484   6.1580  205.239   13.638  227.801   24.744  195.395   16.344  181.857   10.041  169.111   7.1321 12.74609 12.31590 
1 1 1  -22    8   67 o  128.125   5.5541  112.113   9.6189  117.093   14.224  107.917   13.057  130.707   8.0305  125.543   7.6748 5.164070 11.10822 
1 1 1  -22    8   68 f  189.685   6.3773  248.056   15.120  246.558   27.196  248.726   18.191  188.692   10.636  190.677   7.0400 -1.985260 12.75464 
1 1 1  -22    8   69 o   93.333   6.5901   60.789   8.2300   54.286   12.205   66.211   11.145   88.543   10.172   98.124   8.3813 -9.581680 13.18027 
1 1 1  -22    8   70 o   36.410   10.169   5.3723   7.6868   9.9635   9.4980  -3.3437   13.087   39.732   14.084   33.088   14.672 6.643711 20.33820 
1 1 1  -22    8   71 o  186.918   6.2156  233.749   14.856  219.484   17.985  264.392   26.360  178.738   7.4251  195.098   9.9702 -16.36018 12.43127 
1 1 1  -22    8   72 o   84.681   6.5943   49.985   7.5295   46.299   10.918   53.329   10.398   81.569   9.8770   87.793   8.7398 -6.224403 13.18861 
1 1 1  -22    8   73 o   83.944   6.8113   50.006   7.5416   37.558   10.754   62.052   10.579   73.159   10.847   94.728   8.2411 -21.56867 13.62269 
1 1 1  -22    8   74 o   44.705   9.7261   14.458   6.4728   15.983   9.3942   13.079   8.9313   46.629   13.855   42.781   13.654 3.848072 19.45222 
1 1 1  -22    8   75 o   63.832   8.1306   29.258   6.8794   31.969   9.9941   26.817   9.4839   67.241   10.968   60.423   12.006 6.817837 16.26125 
1 1 1  -22    8   76 o  125.166   5.4641  108.850   9.2159   94.915   12.920  123.283   13.149  116.829   8.1608  133.503   7.2682 -16.67353 10.92818 
1 1 1  -22    8   77 o   95.077   6.1384   63.256   7.9058   61.545   11.209   64.949   11.152   93.748   8.8234   96.405   8.5361 -2.657562 12.27674 
1 1 1  -22    8   78 o   73.009   10.125   40.104   9.6215   46.941   14.485   34.707   12.871   78.762   14.089   67.256   14.545 11.50561 20.24995 
1 1 1  -22    8   79 o   44.876   15.301   14.834   11.154   0.0000   0.0000   14.834   11.154  ?   ?    44.876   15.301      ?      ? 
1 1 1  -22    8   80 o  130.211   7.6258  123.428   13.281  111.684   19.757  133.111   17.939  123.745   11.781  136.677   9.6856 -12.93186 15.25168 
1 1 1  -22    8   81 o   45.552   10.499   13.054   8.3315   27.304   12.596   1.9682   11.109   58.336   15.621   32.768   14.031 25.56858 20.99769 
1 1 1  -22    8   82 o  105.871   8.1410   82.136   11.640   91.375   16.791   73.587   16.151  111.900   11.073   99.842   11.937 12.05765 16.28197 
1 1 1  -22    9    1 o  206.696   7.1819  290.736   20.073  291.653   27.526  289.695   29.337  207.072   9.8094  206.319   10.493 0.7532349 14.36385 
1 1 1  -22    9    2 o  188.003   5.6988  223.908   13.054  277.518   25.781  205.426   15.138  202.027   9.4169  173.979   6.4206 28.04742 11.39753 
1 1 1  -22    9    3 o  410.323   5.7104  1143.45   31.749  1163.10   45.278  1124.45   44.531  413.789   8.0747  406.856   8.0767 6.933258 11.42079 
1 1 1  -22    9    4 o  192.108   4.5123  236.828   10.901  216.383   12.932  287.030   20.264  178.606   5.3430  205.609   7.2729 -27.00369 9.024506 
1 1 1  -22    9    5 o  244.474   5.0709  419.119   15.364  441.184   18.605  371.798   27.246  255.031   5.3833  233.918   8.5951 21.11313 10.14177 
1 1 1  -22    9    6 o  293.918   5.2930  579.883   19.044  571.181   22.452  602.207   35.958  290.163   5.7098  297.674   8.9141 -7.511597 10.58595 
1 1 1  -22    9    7 f  235.909   5.4120  377.504   17.302  377.504   17.302   0.0000   0.0000  235.909   5.4120  ?   ?       ?      ? 
1 1 1  -22    9    8 o  373.252   6.3276  945.388   32.005  945.388   32.005   0.0000   0.0000  373.252   6.3276  ?   ?       ?      ? 
1 1 1  -22    9    9 o  382.818   6.2044  1020.49   28.977  1054.90   34.521  938.400   53.315  394.267   6.4612  371.370   10.594 22.89722 12.40889 
1 1 1  -22    9   10 o  118.570   5.0538   99.553   7.6505  110.215   9.6705   81.718   12.508  127.465   5.5986  109.675   8.4155 17.78962 10.10768 
1 1 1  -22    9   11 o  235.822   4.9434  374.728   14.461  370.686   17.226  384.377   26.617  233.769   5.4376  237.876   8.2572 -4.106430 9.886759 
1 1 1  -22    9   12 o  123.545   4.7212   99.108   7.6408   87.409   9.4531  121.154   12.977  113.500   6.1460  133.590   7.1683 -20.09052 9.442400 
1 1 1  -22    9   13 o  395.134   6.2887  1065.62   30.062  1071.31   35.353  1050.78   57.124  397.311   6.5662  392.956   10.727 4.354614 12.57731 
1 1 1  -22    9   14 o  371.364   6.0811  942.462   27.415  949.362   32.326  924.785   51.741  374.031   6.3776  368.697   10.356 5.333801 12.16211 
1 1 1  -22    9   15 o  222.460   5.0460  345.085   14.004  360.788   17.006  312.006   24.682  230.625   5.4415  214.295   8.4994 16.32983 10.09203 
1 1 1  -22    9   16 o  278.905   5.4470  546.593   18.747  575.880   22.636  482.644   33.449  291.352   5.7332  266.458   9.2633 24.89380 10.89396 
1 1 1  -22    9   17 o  263.401   5.5912  456.677   19.396  414.136   24.261  532.020   32.288  246.978   7.2489  279.824   8.5147 -32.84616 11.18239 
1 1 1  -22    9   18 o  180.214   5.4030  222.336   13.064  236.529   17.646  205.126   19.433  186.662   6.9762  173.765   8.2525 12.89731 10.80604 
1 1 1  -22    9   19 o  407.119   6.4746  1142.83   31.958  1163.62   37.761  1090.36   59.996  414.042   6.7301  400.196   11.063 13.84641 12.94924 
1 1 1  -22    9   20 o  197.839   4.8801  262.770   12.136  258.002   14.581  273.517   21.893  195.018   5.5173  200.660   8.0512 -5.641998 9.760239 
1 1 1  -22    9   21 o  206.593   4.9514  285.121   12.816  277.894   15.332  301.880   23.349  202.391   5.5903  210.795   8.1739 -8.404022 9.902753 
1 1 1  -22    9   22 o  670.639   9.3536  3133.04   75.502  3213.19   89.024  2927.69  142.505  687.366   9.5574  653.911   16.082 33.45502 18.70724 
1 1 1  -22    9   23 o  185.348   5.6102  233.072   14.091  233.072   14.091   0.0000   0.0000  185.348   5.6102  ?   ?       ?      ? 
1 1 1  -22    9   24 o  438.671   7.0056  1306.54   41.646  1306.54   41.646   0.0000   0.0000  438.671   7.0056  ?   ?       ?      ? 
1 1 1  -22    9   25 o  187.904   5.1064  243.856   11.993  250.755   14.515  229.012   21.291  192.248   5.5715  183.559   8.5593 8.688751 10.21286 
1 1 1  -22    9   26 o  541.474   7.8437  1955.74   50.049  1914.65   57.639  2081.67  100.906  530.841   8.0126  552.107   13.487 -21.26532 15.68749 
1 1 1  -22    9   27 o  234.617   4.6683  374.043   14.825  355.259   21.037  392.576   20.896  228.747   6.7866  240.487   6.4120 -11.74017 9.336532 
1 1 1  -22    9   28 o  343.073   5.2553  799.175   24.423  810.217   35.101  788.812   34.006  345.362   7.4999  340.784   7.3635 4.577118 10.51051 
1 1 1  -22    9   29 o  188.801   4.6017  239.613   11.714  273.674   17.552  212.263   15.729  200.782   6.4509  176.819   6.5641 23.96230 9.203366 
1 1 1  -22    9   30 o  277.399   4.8721  522.729   18.302  498.500   25.824  547.178   25.941  270.926   7.0339  283.872   6.7435 -12.94644 9.744248 
1 1 1  -22    9   31 o  246.469   4.7389  412.840   15.812  392.914   22.423  432.548   22.300  240.535   6.8792  252.404   6.5197 -11.86934 9.477854 
1 1 1  -22    9   32 o  311.476   5.0855  659.015   21.456  632.396   30.177  686.225   30.511  305.104   7.2988  317.848   7.0835 -12.74396 10.17098 
1 1 1  -22    9   33 o  268.136   6.7998  487.526   24.580  507.367   36.975  471.815   32.903  272.955   9.9963  263.316   9.2209 9.638123 13.59963 
1 1 1  -22    9   34 o  219.488   6.6162  319.521   19.403  381.205   30.728  278.618   25.022  236.631   9.5826  202.345   9.1253 34.28589 13.23243 
1 1 1  -22    9   35 o  266.677   5.7960  485.308   20.194  490.197   25.456  477.010   33.166  268.624   6.9931  264.730   9.2450 3.894287 11.59196 
1 1 1  -22    9   36 o  354.207   5.4022  851.974   25.915  876.484   37.447  829.445   35.901  359.083   7.6956  349.331   7.5838 9.752167 10.80441 
1 1 1  -22    9   37 o  370.336   5.5213  931.812   27.697  953.716   39.892  911.426   38.484  374.526   7.8600  366.145   7.7562 8.381348 11.04257 
1 1 1  -22    9   38 o  301.114   5.0776  614.520   20.691  650.720   30.219  582.571   28.389  309.437   7.2064  292.792   7.1550 16.64523 10.15513 
1 1 1  -22    9   39 o   97.308   7.2680   63.598   8.9784   61.882   10.863   67.298   15.950   95.367   8.4054   99.249   11.859 -3.881569 14.53605 
1 1 1  -22    9   40 o  172.093   6.0771  200.829   13.202  199.544   15.967  203.608   23.472  171.364   6.8758  172.822   10.022 -1.458054 12.15418 
1 1 1  -22    9   41 o  373.485   5.5658  948.426   28.162  964.299   40.416  933.448   39.262  376.512   7.9212  370.458   7.8208 6.053680 11.13156 
1 1 1  -22    9   42 o  301.370   5.1184  616.582   20.887  640.021   30.284  595.317   28.846  306.818   7.2836  295.922   7.1932 10.89658 10.23683 
1 1 1  -22    9   43 o  253.875   4.9046  437.741   16.861  447.123   24.404  429.170   23.324  256.466   7.0217  251.284   6.8495 5.181610 9.809201 
1 1 1  -22    9   44 o  226.686   5.8609  343.041   16.822  368.699   30.145  331.436   20.272  232.548   9.5658  220.824   6.7745 11.72351 11.72172 
1 1 1  -22    9   45 o  228.110   5.9356  354.220   17.175  354.551   30.158  354.061   20.895  227.992   9.7613  228.229   6.7560 -0.2365112 11.87125 
1 1 1  -22    9   46 o  106.381   5.6723   77.067   8.1561   76.567   11.950   77.503   11.159  106.039   8.3163  106.722   7.7161 -0.6828842 11.34458 
1 1 1  -22    9   47 o  168.920   4.9039  194.323   11.206  187.495   16.148  200.665   15.563  166.032   7.1772  171.808   6.6845 -5.775513 9.807843 
1 1 1  -22    9   48 o  279.710   5.0533  532.321   19.144  527.235   27.448  537.138   26.715  278.389   7.2758  281.031   7.0148 -2.641846 10.10664 
1 1 1  -22    9   49 f   84.945   8.7334   51.716   8.6530   46.813   16.147   53.691   10.249   81.125   15.248   88.765   8.5202 -7.640343 17.46678 
1 1 1  -22    9   50 o  219.921   6.0274  323.564   16.667  345.845   30.220  313.824   19.981  225.038   9.9096  214.805   6.8641 10.23228 12.05471 
1 1 1  -22    9   51 o  129.459   5.5778  112.726   9.7144  133.435   14.619   96.351   13.000  139.989   7.7063  118.928   8.0660 21.06057 11.15558 
1 1 1  -22    9   52 o  207.436   4.9477  292.806   13.897  291.840   20.043  293.700   19.285  207.088   7.1422  207.783   6.8489 -0.6952362 9.895330 
1 1 1  -22    9   53 o  288.446   5.1671  566.321   20.189  568.595   28.992  564.180   28.132  288.990   7.4031  287.901   7.2105 1.088867 10.33428 
1 1 1  -22    9   54 o  209.182   4.9609  297.059   14.043  312.323   20.533  283.643   19.249  214.210   7.0734  204.154   6.9578 10.05672 9.921895 
1 1 1  -22    9   55 o  106.693   7.4524   76.314   10.276   72.769   12.616   83.302   17.714  103.236   9.0179  110.149   11.867 -6.912407 14.90476 
1 1 1  -22    9   56 o  171.587   5.1329  199.227   11.896  219.849   17.661  182.098   16.096  179.663   7.2539  163.511   7.2642 16.15263 10.26581 
1 1 1  -22    9   57 o  185.895   5.0655  235.887   12.733  224.558   18.317  246.479   17.712  181.527   7.4463  190.262   6.8694 -8.735046 10.13098 
1 1 1  -22    9   58 o  143.676   5.4079  141.412   10.480  129.296   15.086  152.713   14.569  137.646   8.0876  149.705   7.1814 -12.05908 10.81579 
1 1 1  -22    9   59 o  256.398   6.0946  453.675   20.416  466.773   25.878  432.082   33.226  261.658   7.2980  251.137   9.7630 10.52116 12.18927 
1 1 1  -22    9   60 o  139.469   6.3804  136.024   11.684  147.210   15.171  119.719   18.316  146.869   7.6226  132.068   10.234 14.80104 12.76076 
1 1 1  -22    9   61 o  116.643   5.7720   93.167   9.0971   90.611   13.273   95.431   12.493  115.087   8.5104  118.199   7.7997 -3.111954 11.54394 
1 1 1  -22    9   62 o  178.196   5.0807  216.846   12.248  215.080   17.814  218.430   16.866  177.466   7.4073  178.926   6.9561 -1.459839 10.16145 
1 1 1  -22    9   63 o  219.373   5.0218  327.895   14.904  340.883   21.860  316.613   20.373  223.395   7.2209  215.352   6.9810 8.042923 10.04366 
1 1 1  -22    9   64 o   50.968   9.5515   20.197   7.9510  -0.7413   14.277   29.611   9.5730   36.466   15.764   65.469   10.790 -29.00264 19.10292 
1 1 1  -22    9   65 o  169.307   5.2083  197.415   11.870  177.678   17.166  215.499   16.432  161.029   7.8667  177.585   6.8281 -16.55678 10.41667 
1 1 1  -22    9   66 f   96.091   9.5824   74.440   9.9689   48.767   18.646   84.716   11.796   81.039   17.491  111.144   7.8322 -30.10458 19.16476 
1 1 1  -22    9   67 o  160.160   5.2680  176.046   11.368  174.275   16.961  177.490   15.318  159.322   7.8556  160.997   7.0210 -1.675156 10.53593 
1 1 1  -22    9   68 o  166.336   5.1677  190.092   11.610  186.062   17.023  193.596   15.874  164.593   7.6321  168.080   6.9692 -3.487381 10.33535 
1 1 1  -22    9   69 o  101.424   7.5378   67.586   9.9417   58.022   12.153   86.936   17.286   91.423   9.8092  111.425   11.448 -20.00232 15.07570 
1 1 1  -22    9   70 o   54.986   10.850   23.069   8.3052   25.464   10.267   18.534   14.126   58.825   13.204   51.147   17.220 7.677765 21.69962 
1 1 1  -22    9   71 f   68.849   7.8700   33.976   7.1077   31.668   10.526   35.910   9.6362   65.959   12.227   71.738   9.9123 -5.779640 15.74002 
1 1 1  -22    9   72 o  128.894   5.5031  115.741   9.5313  103.236   13.850  126.992   13.137  122.027   8.3753  135.762   7.1406 -13.73534 11.00615 
1 1 1  -22    9   73 o  111.453   5.7612   85.572   8.6645   97.211   12.827   75.805   11.750  118.422   7.9933  104.483   8.2989 13.93913 11.52230 
1 1 1  -22    9   74 o   43.950   10.240   13.258   7.1346   9.3872   9.4639   18.354   10.859   38.461   14.005   49.439   14.943 -10.97806 20.47998 
1 1 1  -22    9   75 o   65.315   9.8739   34.127   8.1453   25.154   14.191   38.535   9.9469   56.756   17.066   73.874   9.9360 -17.11770 19.74778 
1 1 1  -22    9   76 o   85.944   7.5508   52.938   8.5477   53.844   10.955   51.529   13.665   87.428   9.2469   84.460   11.940 2.967781 15.10168 
1 1 1  -22    9   77 o   61.629   10.961   30.428   9.2625   23.909   13.861   35.687   12.451   54.910   16.938   68.348   13.916 -13.43814 21.92168 
1 1 1  -22    9   78 o  104.713   8.1898   77.912   11.448   99.360   17.579   62.115   15.087  117.262   11.063   92.164   12.079 25.09768 16.37958 
1 1 1  -22    9   79 o   77.487   9.7028   46.280   9.7974   37.527   14.112   54.425   13.613   68.690   15.525   86.285   11.642 -17.59523 19.40558 
1 1 1  -22    9   80 f   60.054   10.797   28.007   8.9959   39.663   13.698   19.168   11.929   70.942   14.730   49.165   15.790 21.77626 21.59373 
1 1 1  -22    9   81 o  175.164   7.0287  220.527   16.640  232.422   24.638  210.549   22.565  179.274   10.141  171.055   9.7345 8.219025 14.05738 
1 1 1  -22   10    1 f  301.150   6.2974  626.621   23.915  589.484   41.782  644.714   29.164  294.191   10.481  308.109   6.9850 -13.91818 12.59489 
1 1 1  -22   10    2 o  324.848   5.0759  716.671   22.343  730.999   31.753  702.622   31.443  328.067   7.1424  321.628   7.2142 6.438568 10.15182 
1 1 1  -22   10    3 o  148.477   4.4112  149.714   8.8704  147.089   12.694  152.219   12.400  147.199   6.3638  149.755   6.1103 -2.555740 8.822389 
1 1 1  -22   10    4 o  262.627   4.7057  468.029   16.740  448.350   23.397  488.668   23.960  256.969   6.7188  268.285   6.5905 -11.31573 9.411494 
1 1 1  -22   10    5 o  213.561   5.3622  313.422   15.299  336.757   20.491  284.031   22.996  222.702   6.7897  204.420   8.3014 18.28249 10.72443 
1 1 1  -22   10    6 o  242.003   6.9753  397.696   22.875  397.696   22.875   0.0000   0.0000  242.003   6.9753  ?   ?       ?      ? 
1 1 1  -22   10    7 o  230.574   5.4741  360.711   17.104  360.711   17.104   0.0000   0.0000  230.574   5.4741  ?   ?       ?      ? 
1 1 1  -22   10    8 o  222.900   4.9927  345.526   13.862  359.139   16.784  316.319   24.585  230.076   5.3832  215.723   8.4100 14.35323 9.985344 
1 1 1  -22   10    9 o  121.734   4.9267  103.328   7.7183  110.258   9.7096   91.431   12.721  127.474   5.6208  115.993   8.0931 11.48071 9.853486 
1 1 1  -22   10   10 o  385.598   6.1805  1005.17   28.757  998.373   33.665  1023.51   55.310  383.497   6.4779  387.698   10.528 -4.200928 12.36094 
1 1 1  -22   10   11 o  180.781   4.7460  220.311   10.908  217.399   13.253  226.425   19.202  179.004   5.4636  182.558   7.7618 -3.554108 9.491910 
1 1 1  -22   10   12 o  375.964   6.1418  971.567   28.094  985.487   33.235  936.717   52.586  381.019   6.4367  370.908   10.462 10.11081 12.28368 
1 1 1  -22   10   13 o  132.002   4.6558  112.572   8.0233   98.585   9.8711  139.802   13.773  120.524   6.0438  143.480   7.0835 -22.95634 9.311502 
1 1 1  -22   10   14 o  229.430   4.8782  343.265   13.904  323.750   16.417  392.786   26.152  218.438   5.5460  240.421   8.0268 -21.98314 9.756432 
1 1 1  -22   10   15 o  224.683   5.1820  361.115   14.457  395.201   17.763  294.224   24.883  241.348   5.4310  208.017   8.8271 33.33073 10.36408 
1 1 1  -22   10   16 o  250.877   8.5866  427.885   29.192   0.0000   0.0000  427.885   29.192  ?   ?   250.877   8.5866      ?      ? 
1 1 1  -22   10   17 o  201.799   4.9931  283.624   12.669  296.773   15.488  257.033   22.025  209.141   5.4649  194.458   8.3582 14.68344 9.986222 
1 1 1  -22   10   18 o  258.005   5.1966  451.624   16.597  450.848   19.784  453.467   30.496  257.761   5.6639  258.249   8.7142 -0.4870911 10.39313 
1 1 1  -22   10   19 o  145.677   5.0020  149.483   9.2661  161.810   11.572  127.452   15.470  154.425   5.5296  136.929   8.3369 17.49564 10.00400 
1 1 1  -22   10   20 o  323.355   5.7103  715.437   22.572  721.916   26.746  699.404   42.076  326.132   6.0518  320.577   9.6854 5.554688 11.42063 
1 1 1  -22   10   21 o  299.221   5.5662  618.325   20.500  632.789   24.497  584.528   37.446  305.346   5.9202  293.097   9.4277 12.24893 11.13243 
1 1 1  -22   10   22 o  330.251   6.1257  740.329   27.415  740.329   27.415   0.0000   0.0000  330.251   6.1257  ?   ?       ?      ? 
1 1 1  -22   10   23 o  171.638   4.8586  190.661   10.521  175.947   12.534  225.758   19.358  161.014   5.7444  182.262   7.8374 -21.24762 9.717104 
1 1 1  -22   10   24 o  401.420   6.3934  1083.78   30.845  1069.56   35.970  1123.28   59.955  396.867   6.6882  405.972   10.898 -9.104706 12.78671 
1 1 1  -22   10   25 o  268.349   5.6507  488.488   19.838  485.674   24.954  493.319   32.701  267.411   6.8861  269.286   8.9613 -1.874664 11.30145 
1 1 1  -22   10   26 o  147.435   5.3199  147.173   10.452  144.834   13.547  150.612   16.428  146.029   6.8459  148.840   8.1448 -2.810547 10.63973 
1 1 1  -22   10   27 o  205.198   5.3656  286.528   14.513  287.795   18.513  284.509   23.374  205.859   6.6365  204.537   8.4330 1.321991 10.73118 
1 1 1  -22   10   28 o  368.359   6.4681  884.775   30.373  816.794   36.539  1036.78   54.639  346.646   7.7784  390.072   10.336 -43.42535 12.93625 
1 1 1  -22   10   29 o  394.546   6.7479  1037.18   34.169  992.125   41.640  1130.05   59.783  381.989   8.0441  407.102   10.837 -25.11261 13.49588 
1 1 1  -22   10   30 o  171.471   4.6055  199.788   10.681  197.936   15.558  201.439   14.690  170.706   6.7255  172.236   6.2937 -1.530075 9.211063 
1 1 1  -22   10   31 o  135.587   4.7682  124.351   8.7329  131.262   12.995  118.658   11.793  139.000   6.8987  132.174   6.5840 6.826233 9.536343 
1 1 1  -22   10   32 o  206.707   5.8734  294.206   15.055  281.736   27.239  299.691   18.066  203.345   9.8849  210.068   6.3462 -6.723145 11.74674 
1 1 1  -22   10   33 o  119.305   6.5569  100.644   9.3895   88.760   17.521  105.432   11.121  114.026   11.339  124.583   6.5874 -10.55704 13.11372 
1 1 1  -22   10   34 o  177.798   4.6629  215.351   11.202  203.430   16.161  226.377   15.542  173.027   6.8924  182.570   6.2820 -9.542114 9.325727 
1 1 1  -22   10   35 o  265.000   4.8659  477.497   17.457  453.510   24.688  501.486   24.689  258.320   7.0525  271.680   6.7060 -13.35962 9.731814 
1 1 1  -22   10   36 o  181.691   4.7174  224.759   11.590  214.352   16.683  234.468   16.113  177.597   6.9319  185.785   6.4002 -8.187683 9.434707 
1 1 1  -22   10   37 o  226.159   4.7621  347.892   14.580  337.843   20.895  357.428   20.354  222.955   6.9159  229.363   6.5484 -6.407639 9.524251 
1 1 1  -22   10   38 o  314.959   6.4670  671.121   25.867  662.488   31.407  689.327   45.608  312.125   7.4253  317.793   10.590 -5.668365 12.93407 
1 1 1  -22   10   39 f  187.813   6.9349  240.491   17.641  238.839   24.527  242.262   25.393  187.161   9.6703  188.464   9.9426 -1.302612 13.86975 
1 1 1  -22   10   40 o  379.445   6.8435  972.495   32.974  1008.59   58.278  955.497   39.990  384.164   11.195  374.726   7.8752 9.438293 13.68706 
1 1 1  -22   10   41 o  390.937   6.9788  1042.79   34.770  1042.23   60.469  1043.06   42.498  390.404   11.430  391.470   8.0109 -1.066223 13.95761 
1 1 1  -22   10   42 o  265.495   4.9620  479.528   17.839  472.667   25.619  485.986   24.855  263.630   7.1710  267.360   6.8601 -3.730560 9.923912 
1 1 1  -22   10   43 o  238.706   4.8792  387.055   15.763  394.683   22.974  380.271   21.667  240.908   7.0373  236.503   6.7604 4.406021 9.758442 
1 1 1  -22   10   44 f  278.218   5.0230  526.241   18.924  532.401   27.369  520.599   26.194  279.759   7.2192  276.676   6.9862 3.083649 10.04608 
1 1 1  -22   10   45 o  201.185   4.8568  275.290   13.218  274.701   19.259  275.814   18.174  200.960   7.0721  201.411   6.6588 -0.4508057 9.713572 
1 1 1  -22   10   46 o  158.943   5.0613  172.404   10.856  164.966   15.886  178.922   14.871  155.682   7.5299  162.205   6.7653 -6.522186 10.12266 
1 1 1  -22   10   47 o  278.921   5.1352  529.569   19.391  525.463   27.991  533.358   26.887  277.852   7.4341  279.989   7.0863 -2.137451 10.27037 
1 1 1  -22   10   48 o  343.462   6.7915  814.881   29.553  778.487   51.367  832.887   36.131  337.174   11.242  349.750   7.6232 -12.57620 13.58300 
1 1 1  -22   10   49 o  238.191   5.0007  386.850   16.103  358.715   22.887  414.432   22.661  229.555   7.3574  246.827   6.7749 -17.27177 10.00148 
1 1 1  -22   10   50 o  280.600   5.1210  536.301   19.461  520.558   27.709  551.625   27.338  276.506   7.3949  284.694   7.0860 -8.187897 10.24190 
1 1 1  -22   10   51 o  102.011   6.1447   71.453   8.4265   66.583   12.465   75.551   11.435   98.737   9.3162  105.285   8.0148 -6.547401 12.28938 
1 1 1  -22   10   52 o  375.628   5.6898  962.100   28.956  951.698   41.232  972.222   40.674  373.596   8.1443  377.660   7.9476 -4.063721 11.37954 
1 1 1  -22   10   53 o  242.900   5.0630  401.730   16.644  375.081   23.310  429.452   23.774  234.654   7.3305  251.147   6.9855 -16.49336 10.12591 
1 1 1  -22   10   54 o   67.542   10.567   35.813   9.2303   43.097   11.285   21.092   16.044   79.298   10.502   55.786   18.340 23.51238 21.13401 
1 1 1  -22   10   55 o  213.217   4.9993  309.905   14.431  305.037   20.772  314.447   20.063  211.569   7.2451  214.866   6.8906 -3.297348 9.998547 
1 1 1  -22   10   56 o  209.576   5.9362  301.366   16.322  305.500   20.723  294.613   26.488  211.698   7.2237  207.454   9.4220 4.243896 11.87246 
1 1 1  -22   10   57 o  197.286   5.9735  267.913   15.443  273.710   19.617  258.466   25.042  200.343   7.2257  194.228   9.5141 6.114624 11.94696 
1 1 1  -22   10   58 o  257.664   5.1008  452.194   17.789  467.349   25.942  438.743   24.440  261.708   7.3148  253.621   7.1111 8.087341 10.20169 
1 1 1  -22   10   59 o  164.218   5.1744  183.948   11.485  186.290   16.908  181.941   15.649  165.147   7.5551  163.289   7.0722 1.857956 10.34874 
1 1 1  -22   10   60 o  144.966   5.2523  143.264   10.291  147.861   15.206  139.380   13.978  147.073   7.6298  142.858   7.2204 4.214890 10.50462 
1 1 1  -22   10   61 o  103.648   6.0201   73.243   8.4146   77.707   12.667   69.717   11.257  106.420   8.7838  100.876   8.2348 5.543533 12.04028 
1 1 1  -22   10   62 o   87.924   6.6234   52.995   7.8576   55.259   11.764   51.172   10.559   89.566   9.6920   86.283   9.0301 3.282730 13.24679 
1 1 1  -22   10   63 o  225.503   6.9221  347.711   21.153   0.0000   0.0000  347.711   21.153  ?   ?   225.503   6.9221      ?      ? 
1 1 1  -22   10   64 o  149.284   6.8406  157.145   12.420  146.365   22.981  161.593   14.761  144.934   11.701  153.634   7.0899 -8.699158 13.68118 
1 1 1  -22   10   65 o  166.508   5.1742  190.371   11.635  186.714   17.086  193.533   15.887  164.924   7.6449  168.091   6.9746 -3.166733 10.34835 
1 1 1  -22   10   66 o  171.514   5.0787  201.477   11.770  206.231   17.402  197.468   15.980  173.308   7.4096  169.721   6.9478 3.586899 10.15743 
1 1 1  -22   10   67 o  144.277   5.2895  143.286   10.313  140.819   15.085  145.451   14.131  143.023   7.7832  145.531   7.1651 -2.507965 10.57905 
1 1 1  -22   10   68 o  113.733   7.1840   91.001   10.555   92.912   13.177   87.581   17.632  115.935   8.3875  111.532   11.666 4.402596 14.36801 
1 1 1  -22   10   69 o  136.009   5.4070  127.581   9.9539  128.591   14.455  126.671   13.727  136.465   7.8166  135.552   7.4728 0.9134674 10.81394 
1 1 1  -22   10   70 o   97.782   8.5867   68.313   11.208   66.152   17.219   69.902   14.764   95.996   13.236   99.568   10.942 -3.571915 17.17347 
1 1 1  -22   10   71 o   59.095   8.9871   25.806   6.9339   26.646   10.553   25.169   9.1983   59.724   13.372   58.467   12.011 1.256798 17.97425 
1 1 1  -22   10   72 o   79.742   6.7850   45.232   7.2184   40.357   10.803   49.164   9.7023   75.513   10.557   83.971   8.5264 -8.458061 13.57001 
1 1 1  -22   10   73 o   53.160   8.6970   21.780   6.5819   10.878   9.7441   30.928   8.9261   40.164   14.263   66.156   9.9566 -25.99213 17.39407 
1 1 1  -22   10   74 o   78.463   7.6731   43.778   8.0883   42.231   10.685   45.853   12.378   77.077   10.230   79.848   11.439 -2.770576 15.34620 
1 1 1  -22   10   75 o   45.149   10.810   15.204   7.9321   11.817   12.575   17.443   10.222   42.557   16.025   47.741   14.513 -5.183865 21.62049 
1 1 1  -22   10   76 o   34.300   9.7695   3.9584   7.5345  -5.0432   11.559   10.608   9.9351   29.059   13.253   39.541   14.357 -10.48206 19.53907 
1 1 1  -22   10   77 f  117.505   7.4432   98.873   11.799  107.480   17.747   92.056   15.795  121.905   10.743  113.105   10.305 8.800217 14.88637 
1 1 1  -22   10   78 o   52.039   10.855   21.907   8.2294   18.791   12.694   24.166   10.809   48.784   16.324   55.293   14.313 -6.509575 21.71083 
1 1 1  -22   10   79 o   48.661   10.938   18.939   8.0892   17.705   12.521   19.823   10.598   47.436   16.211   49.887   14.688 -2.451473 21.87556 
1 1 1  -22   11    1 o  212.293   5.3119  306.500   14.798  305.670   24.135  307.000   18.732  211.978   8.4020  212.607   6.5017 -0.6293793 10.62380 
1 1 1  -22   11    2 f  564.476   8.5977  2151.40   62.046  2252.91  108.433  2101.98   75.655  573.531   13.952  555.420   10.052 18.11182 17.19534 
1 1 1  -22   11    3 o  345.493   6.2790  809.380   28.126  822.314   47.404  802.354   34.940  347.402   10.069  343.584   7.5042 3.817322 12.55807 
1 1 1  -22   11    4 o  230.569   5.5008  365.757   16.552  344.604   26.941  378.582   20.978  225.040   8.8343  236.099   6.5567 -11.05919 11.00158 
1 1 1  -22   11    5 f  127.031   8.6001  109.778   14.805  109.778   14.805   0.0000   0.0000  127.031   8.6001  ?   ?       ?      ? 
1 1 1  -22   11    6 o   55.485   7.1984   21.527   5.2573   19.399   7.6941   23.389   7.2004   52.347   11.186   58.624   9.0636 -6.276306 14.39683 
1 1 1  -22   11    7 o  183.096   5.0488  228.249   12.236  230.042   15.738  225.508   19.457  184.061   6.3096  182.129   7.8834 1.932129 10.09752 
1 1 1  -22   11    8 o  103.392   5.3117   72.763   7.4041   73.829   10.019   71.480   10.990  104.244   7.0923  102.539   7.9093 1.705223 10.62345 
1 1 1  -22   11    9 o  254.653   5.3988  429.822   17.931  402.952   22.198  480.286   30.420  243.571   6.7250  265.734   8.4475 -22.16301 10.79750 
1 1 1  -22   11   10 o  114.030   5.2195   86.970   8.0017   75.752   10.584  101.935   12.225  105.582   7.3974  122.478   7.3654 -16.89661 10.43891 
1 1 1  -22   11   11 o   55.923   9.1992   25.656   6.9820   8.7388   12.818   32.792   8.3256   42.422   16.130   69.423   8.8496 -27.00183 18.39849 
1 1 1  -22   11   12 o  111.972   11.031   85.503   16.738   85.503   16.738   0.0000   0.0000  111.972   11.031  ?   ?       ?      ? 
1 1 1  -22   11   13 o  244.636   5.5498  415.293   17.837  447.550   23.136  368.028   28.007  256.704   6.6509  232.568   8.8864 24.13562 11.09969 
1 1 1  -22   11   14 o  121.053   6.7795  100.383   10.551   97.842   17.915  101.732   13.055  119.777   11.037  122.330   7.8753 -2.553017 13.55891 
1 1 1  -22   11   15 o  183.479   6.3647  233.251   15.457  206.211   23.740  253.151   20.366  173.980   10.069  192.978   7.7877 -18.99759 12.72931 
1 1 1  -22   11   16 o   75.018   6.1830   38.283   6.2748   35.342   8.7809   41.353   8.9700   72.065   8.9915   77.971   8.4894 -5.906143 12.36597 
1 1 1  -22   11   17 o  128.974   5.2877  113.948   9.1369  120.151   12.248  106.164   13.720  132.997   6.7958  124.951   8.1027 8.046310 10.57533 
1 1 1  -22   11   18 o  215.721   5.0577  320.548   13.685  328.072   16.588  304.517   24.215  219.857   5.5678  211.584   8.4452 8.272644 10.11545 
1 1 1  -22   11   19 o  345.611   5.8703  801.684   24.630  788.610   28.875  836.601   47.190  340.790   6.2525  350.432   9.9372 -9.641571 11.74062 
1 1 1  -22   11   20 o  575.042   8.4087  2249.35   65.526  2249.35   65.526   0.0000   0.0000  575.042   8.4087  ?   ?       ?      ? 
1 1 1  -22   11   21 o  214.283   5.6372  311.674   16.370  311.674   16.370   0.0000   0.0000  214.283   5.6372  ?   ?       ?      ? 
1 1 1  -22   11   22 o   50.471   8.2028   17.888   5.4962   15.121   7.4395   21.214   8.1555   46.185   11.833   54.757   11.363 -8.572216 16.40560 
1 1 1  -22   11   23 o  290.143   5.4817  572.189   19.562  571.945   23.220  572.786   36.310  290.246   5.9035  290.040   9.2381 0.2059937 10.96332 
1 1 1  -22   11   24 o  153.629   4.9356  160.073   9.7377  159.438   11.980  161.309   16.718  153.250   5.7686  154.008   8.0103 -0.7585907 9.871192 
1 1 1  -22   11   25 o  276.515   5.3778  516.983   18.317  513.028   21.726  526.706   34.062  274.890   5.8322  278.141   9.0371 -3.250610 10.75562 
1 1 1  -22   11   26 o  150.680   4.8891  149.345   9.5112  139.067   11.613  170.289   16.577  143.110   5.9880  158.250   7.7301 -15.13942 9.778117 
1 1 1  -22   11   27 o  177.789   5.0098  216.198   11.294  218.786   13.776  210.895   19.721  179.519   5.6630  176.059   8.2658 3.460327 10.01964 
1 1 1  -22   11   28 o  179.400   5.0489  220.821   11.460  224.666   13.973  212.920   20.032  181.912   5.6682  176.888   8.3568 5.024063 10.09773 
1 1 1  -22   11   29 f  137.082   5.0779  125.889   9.0284  121.599   11.157  134.030   15.368  133.805   6.1529  140.358   8.0798 -6.552734 10.15587 
1 1 1  -22   11   30 o  166.068   5.5850  187.497   12.514  186.452   16.901  188.766   18.616  165.586   7.5320  166.551   8.2484 -0.9646606 11.16994 
1 1 1  -22   11   31 o  412.641   7.1004  1167.99   38.377  1188.45   48.659  1134.32   62.425  417.808   8.5941  407.474   11.305 10.33368 14.20086 
1 1 1  -22   11   32 o  436.300   6.8121  1273.31   35.539  1246.72   41.253  1349.86   69.988  428.237   7.1087  444.364   11.623 -16.12698 13.62419 
1 1 1  -22   11   33 o  381.054   6.7893  957.203   32.528  1077.51   59.640  906.264   38.809  397.142   11.082  364.966   7.8468 32.17563 13.57856 
1 1 1  -22   11   34 o  343.053   6.5653  815.250   28.808  761.031   48.840  844.181   35.675  333.807   10.797  352.299   7.4727 -18.49203 13.13053 
1 1 1  -22   11   35 o  149.616   5.9478  154.126   11.110  147.986   19.874  156.917   13.399  147.276   9.9580  151.955   6.5070 -4.679230 11.89552 
1 1 1  -22   11   36 o  317.895   6.5306  688.951   26.547  689.056   32.553  688.744   45.868  318.251   7.5481  317.540   10.659 0.7107849 13.06117 
1 1 1  -22   11   37 o  279.587   6.2201  522.808   22.095  505.291   26.712  560.752   39.314  272.563   7.2321  286.611   10.122 -14.04724 12.44026 
1 1 1  -22   11   38 o  186.753   4.7602  236.467   12.009  244.903   17.819  229.447   16.256  189.778   6.9289  183.729   6.5291 6.049591 9.520450 
1 1 1  -22   11   39 o  183.828   4.7853  229.549   11.890  232.719   17.504  226.833   16.203  184.985   6.9824  182.671   6.5455 2.313507 9.570663 
1 1 1  -22   11   40 o  118.424   5.3727   95.661   8.5741   93.310   12.731   97.613   11.599  117.059   8.0255  119.789   7.1454 -2.730461 10.74548 
1 1 1  -22   11   41 o   59.714   8.4425   26.682   6.5403   16.713   10.053   33.997   8.6120   48.820   14.286   70.608   9.0006 -21.78786 16.88502 
1 1 1  -22   11   42 o  207.585   4.9666  294.066   13.922  278.778   20.214  307.862   19.202  202.395   7.3700  212.776   6.6596 -10.38133 9.933175 
1 1 1  -22   11   43 o  295.442   5.2129  594.288   20.825  544.456   29.202  645.862   29.708  282.789   7.6201  308.095   7.1155 -25.30557 10.42573 
1 1 1  -22   11   44 o  104.888   5.8889   74.421   8.2905   78.898   12.777   71.166   10.895  107.559   8.7662  102.217   7.8656 5.341888 11.77772 
1 1 1  -22   11   45 o  201.259   4.8802  275.543   13.279  276.215   19.465  274.958   18.161  201.461   7.1300  201.057   6.6656 0.4032288 9.760473 
1 1 1  -22   11   46 o  131.835   6.6507  119.063   10.788  117.800   19.940  119.586   12.827  131.121   11.222  132.549   7.1411 -1.428940 13.30143 
1 1 1  -22   11   47 o  182.393   6.2031  230.390   13.992  218.577   25.359  235.561   16.776  178.709   10.471  186.077   6.6531 -7.367691 12.40614 
1 1 1  -22   11   48 o  112.950   5.6319   86.771   8.5820   88.935   12.821   85.015   11.552  114.195   8.2847  111.705   7.6313 2.490097 11.26382 
1 1 1  -22   11   49 o   91.741   6.4829   58.099   7.9441   53.336   12.000   61.815   10.599   88.285   10.030   95.198   8.2162 -6.912773 12.96570 
1 1 1  -22   11   50 o  207.663   4.9572  294.284   13.920  276.900   19.904  310.929   19.476  201.605   7.2854  213.720   6.7246 -12.11534 9.914457 
1 1 1  -22   11   51 o  205.260   4.9712  287.556   13.798  275.391   19.896  298.827   19.151  201.027   7.3035  209.494   6.7460 -8.466995 9.942321 
1 1 1  -22   11   52 o   69.566   11.582   33.288   10.919   33.288   10.919   0.0000   0.0000   69.566   11.582  ?   ?       ?      ? 
1 1 1  -22   11   53 o   82.957   8.4111   49.281   8.9136   54.741   11.703   41.737   13.757   89.387   9.6610   76.527   13.771 12.85916 16.82229 
1 1 1  -22   11   54 o  219.294   5.8858  328.862   16.985  329.382   21.598  328.018   27.497  219.751   7.2526  218.837   9.2721 0.9147797 11.77161 
1 1 1  -22   11   55 o  138.009   5.3764  130.245   10.008  128.039   14.819  132.095   13.570  136.877   7.9892  139.140   7.1969 -2.262878 10.75284 
1 1 1  -22   11   56 o  178.952   5.0739  219.098   12.261  211.762   17.933  225.537   16.801  176.069   7.5158  181.836   6.8183 -5.766586 10.14773 
1 1 1  -22   11   57 o  188.759   5.0655  244.485   12.895  224.014   18.599  263.431   17.893  181.025   7.5818  196.492   6.7197 -15.46700 10.13109 
1 1 1  -22   11   58 o  192.141   5.0086  252.941   13.002  239.273   18.785  265.510   18.014  187.069   7.4103  197.212   6.7404 -10.14304 10.01724 
1 1 1  -22   11   59 o   52.589   9.7411   19.802   6.9492   21.930   10.810   18.304   9.0722   54.890   14.366   50.288   13.160 4.601620 19.48222 
1 1 1  -22   11   60 o  146.307   5.4758  148.449   10.707  133.169   15.994  160.859   14.413  139.238   8.4763  153.376   6.9345 -14.13765 10.95154 
1 1 1  -22   11   61 o  172.320   7.0056  203.236   16.359   0.0000   0.0000  203.236   16.359  ?   ?   172.320   7.0056      ?      ? 
1 1 1  -22   11   62 o   98.552   6.4180   67.450   8.3914   64.745   13.136   69.315   10.907   96.677   10.027  100.428   8.0144 -3.751266 12.83601 
1 1 1  -22   11   63 o  101.173   6.0684   70.224   8.2698   73.759   12.515   67.483   11.018  103.348   8.9358   98.998   8.2130 4.349426 12.13680 
1 1 1  -22   11   64 f  108.024   5.8473   80.213   8.5288   83.411   12.704   77.588   11.508  109.918   8.5286  106.130   8.0017 3.787834 11.69459 
1 1 1  -22   11   65 f   69.604   9.1440   34.102   8.3650   26.879   11.022   43.914   12.847   60.288   13.790   78.920   12.012 -18.63249 18.28805 
1 1 1  -22   11   66 o  106.940   8.8083   81.017   12.737   73.980   17.667   88.634   18.380  101.983   12.783  111.896   12.122 -9.912575 17.61653 
1 1 1  -22   11   67 o  188.016   6.2949  246.088   15.153  246.771   18.638  244.755   26.025  189.199   7.2694  186.832   10.279 2.367264 12.58989 
1 1 1  -22   11   68 o   77.837   6.8900   41.926   7.2197   48.994   10.874   36.354   9.6548   83.672   9.5903   72.001   9.8951 11.67110 13.77992 
1 1 1  -22   11   69 o   90.406   6.3076   57.252   7.6834   55.218   11.363   58.966   10.429   88.757   9.4475   92.054   8.3599 -3.296844 12.61522 
1 1 1  -22   11   70 o   59.302   8.4280   26.023   6.6083   22.114   9.7082   29.398   9.0207   54.153   13.321   64.451   10.328 -10.29850 16.85593 
1 1 1  -22   11   71 o   71.536   7.3613   36.284   6.8758   45.552   10.310   28.859   9.2278   80.387   9.4641   62.685   11.278 17.70157 14.72258 
1 1 1  -22   11   72 o   57.748   9.6895   25.553   7.4124   25.942   9.7731   25.026   11.373   58.669   12.664   56.826   14.669 1.842808 19.37908 
1 1 1  -22   11   73 o   79.722   7.6290   43.961   8.0806   35.109   10.371   57.636   12.891   69.820   10.962   89.624   10.614 -19.80414 15.25793 
1 1 1  -22   11   74 o   75.042   9.7181   43.559   9.4710   36.681   14.187   49.089   12.721   67.920   15.724   82.164   11.425 -14.24419 19.43625 
1 1 1  -22   11   75 o   86.849   9.1529   54.538   10.156   78.384   15.956   38.295   13.169  103.642   11.361   70.055   14.354 33.58674 18.30582 
1 1 1  -22   11   76 o  111.417   7.8180   91.056   11.688   86.376   17.472   94.848   15.724  108.165   11.920  114.670   10.119 -6.505157 15.63593 
1 1 1  -22   11   77 o   64.716   10.256   34.474   9.0896   22.214   13.650   44.241   12.184   52.016   16.908   77.416   11.613 -25.40021 20.51228 
1 1 1  -22   11   78 f   66.768   14.153   35.307   12.408   0.0000   0.0000   35.307   12.408  ?   ?    66.768   14.153      ?      ? 
1 1 1  -22   12    1 o  165.112   4.6552  185.293   10.413  190.261   14.704  180.296   14.748  167.339   6.4840  162.884   6.6814 4.455002 9.310374 
1 1 1  -22   12    2 o  455.836   7.8564  1420.83   44.764  1423.41   53.819  1415.04   80.637  457.216   8.6862  454.456   13.094 2.759979 15.71275 
1 1 1  -22   12    3 o  228.688   6.3270  354.549   17.389  352.647   20.318  359.760   33.622  227.816   6.5812  229.559   10.808 -1.742081 12.65405 
1 1 1  -22   12    4 o  135.776   4.7664  125.064   8.7594  134.016   12.654  116.829   12.137  140.438   6.6492  131.114   6.8311 9.324585 9.532871 
1 1 1  -22   12    5 o  327.838   5.2062  730.761   23.128  740.513   32.760  721.070   32.657  330.024   7.3251  325.651   7.4001 4.372894 10.41245 
1 1 1  -22   12    6 o  370.704   6.0966  930.910   27.268  925.415   31.930  945.718   52.414  369.087   6.3838  372.321   10.388 -3.233795 12.19315 
1 1 1  -22   12    7 o  123.486   4.8133   99.947   7.7535   91.054   9.5625  117.015   13.247  115.788   6.0943  131.184   7.4519 -15.39622 9.626609 
1 1 1  -22   12    8 o  183.939   4.8482  230.100   11.245  230.403   13.612  229.448   19.955  184.230   5.4524  183.648   8.0182 0.5821228 9.696449 
1 1 1  -22   12    9 o  138.984   4.8009  130.251   8.6105  128.013   10.616  134.556   14.721  137.311   5.7051  140.656   7.7232 -3.345322 9.601870 
1 1 1  -22   12   10 o  159.896   4.7832  172.160   9.7592  169.148   11.889  178.381   17.087  157.847   5.5581  161.946   7.7862 -4.099304 9.566434 
1 1 1  -22   12   11 o  209.349   4.9721  299.598   13.027  302.422   15.704  293.368   23.328  211.066   5.4906  207.631   8.2909 3.434677 9.944123 
1 1 1  -22   12   12 o  160.997   7.9880  176.332   17.428   0.0000   0.0000  176.332   17.428  ?   ?   160.997   7.9880      ?      ? 
1 1 1  -22   12   13 o  147.630   5.4582  147.532   10.886  139.841   14.703  156.861   16.193  143.403   7.5661  151.857   7.8690 -8.454025 10.91636 
1 1 1  -22   12   14 o  178.203   5.0796  223.660   11.378  238.919   13.999  193.964   19.529  187.600   5.5066  168.805   8.5373 18.79451 10.15915 
1 1 1  -22   12   15 o  125.078   5.2754  109.493   8.4908  117.672   10.708   95.639   13.937  131.633   6.0026  118.524   8.6769 13.10867 10.55087 
1 1 1  -22   12   16 o  365.186   6.1483  916.656   27.380  928.256   32.426  887.840   51.107  369.640   6.4734  360.733   10.455 8.907593 12.29654 
1 1 1  -22   12   17 o  333.063   7.7677  754.534   35.059  754.534   35.059   0.0000   0.0000  333.063   7.7677  ?   ?       ?      ? 
1 1 1  -22   12   18 o  144.290   7.6666  141.601   14.991  141.601   14.991   0.0000   0.0000  144.290   7.6666  ?   ?       ?      ? 
1 1 1  -22   12   19 o  231.376   5.6848  363.493   17.825  363.493   17.825   0.0000   0.0000  231.376   5.6848  ?   ?       ?      ? 
1 1 1  -22   12   20 o  449.577   6.9444  1389.88   37.714  1404.50   44.382  1351.89   71.542  454.516   7.2057  444.637   11.873 9.879608 13.88875 
1 1 1  -22   12   21 o  162.108   5.1630  183.510   10.666  194.213   13.247  163.782   17.985  169.116   5.7801  155.100   8.5567 14.01607 10.32599 
1 1 1  -22   12   22 o  401.755   6.4649  1093.59   31.410  1086.19   36.825  1113.35   60.176  399.771   6.7975  403.738   10.999 -3.966705 12.92971 
1 1 1  -22   12   23 o  214.993   5.5453  317.711   15.848  333.191   20.800  296.288   24.469  221.397   6.9330  208.589   8.6566 12.80777 11.09063 
1 1 1  -22   12   24 o  334.865   6.3605  777.311   28.015  827.603   36.253  702.769   44.137  348.795   7.6700  320.936   10.149 27.85889 12.72093 
1 1 1  -22   12   25 o  137.967   5.5185  127.683   10.244  112.183   13.589  148.087   15.592  128.404   7.8098  147.529   7.7988 -19.12482 11.03696 
1 1 1  -22   12   26 o  202.462   5.4468  276.751   14.703  267.512   19.012  290.501   23.193  198.354   7.0729  206.569   8.2853 -8.214249 10.89367 
1 1 1  -22   12   27 o   70.043   7.7155   34.311   7.0800   30.140   10.272   38.087   9.7721   65.357   12.041   74.729   9.6497 -9.372276 15.43092 
1 1 1  -22   12   28 o  393.697   6.4485  1067.25   30.949  1081.68   36.657  1031.43   57.755  398.899   6.7813  388.496   10.970 10.40247 12.89702 
1 1 1  -22   12   29 o   46.055   10.038   14.198   6.7711   16.770   10.803   12.535   8.6900   49.189   14.912   42.922   13.440 6.266972 20.07522 
1 1 1  -22   12   30 o  164.376   5.1494  185.623   10.817  189.475   13.325  178.183   18.520  167.012   5.8878  161.741   8.4497 5.270706 10.29870 
1 1 1  -22   12   31 o  122.781   5.5784  106.206   8.8198  116.334   11.209   89.740   14.292  130.837   6.3218  114.724   9.1929 16.11349 11.15685 
1 1 1  -22   12   32 o  185.100   5.0827  229.373   11.967  222.683   14.498  243.682   21.202  181.048   5.9091  189.153   8.2716 -8.105042 10.16547 
1 1 1  -22   12   33 o  218.848   5.1992  321.725   14.291  315.050   17.151  336.884   25.847  215.346   5.8773  222.350   8.5782 -7.004211 10.39845 
1 1 1  -22   12   34 o  236.228   5.3355  378.704   15.704  377.031   18.800  382.565   28.566  235.572   5.8893  236.884   8.8987 -1.311646 10.67101 
1 1 1  -22   12   35 o  176.130   6.1205  210.821   14.608  210.821   14.608   0.0000   0.0000  176.130   6.1205  ?   ?       ?      ? 
1 1 1  -22   12   36 o  382.136   6.7780  986.156   33.524  961.757   41.413  1032.54   57.100  375.747   8.1331  388.524   10.845 -12.77701 13.55594 
1 1 1  -22   12   37 o  192.441   4.9132  251.728   12.770  254.309   18.887  249.554   17.333  193.320   7.2094  191.562   6.6769 1.757645 9.826344 
1 1 1  -22   12   38 o  151.264   6.7255  155.621   13.786   0.0000   0.0000  155.621   13.786  ?   ?   151.264   6.7255      ?      ? 
1 1 1  -22   12   39 o   87.832   6.2208   51.647   7.2875   57.975   11.601   47.522   9.3664   92.161   9.2887   83.502   8.2773 8.658310 12.44162 
1 1 1  -22   12   40 o  190.110   4.8401  246.956   12.408  232.098   18.121  260.070   17.024  184.657   7.2416  195.563   6.4239 -10.90579 9.680227 
1 1 1  -22   12   41 o   49.720   8.3572   18.603   6.3134   4.1146   9.8462   28.719   8.2273   34.590   13.847   64.850   9.3620 -30.26012 16.71449 
1 1 1  -22   12   42 o  110.684   5.6171   83.742   8.2956   82.003   12.839   84.988   10.869  109.636   8.6416  111.732   7.1785 -2.095551 11.23417 
1 1 1  -22   12   43 o   91.176   6.2825   58.096   7.5392   49.896   11.640   64.022   9.8957   85.406   10.057   96.945   7.5325 -11.53873 12.56497 
1 1 1  -22   12   44 f   98.288   6.1289   65.639   8.0381   67.623   12.595   64.275   10.441   99.478   9.3429   97.098   7.9350 2.379829 12.25781 
1 1 1  -22   12   45 o  206.809   6.0892  292.238   15.687  291.278   28.439  292.657   18.806  206.260   10.175  207.358   6.6927 -1.098526 12.17847 
1 1 1  -22   12   46 o  189.830   4.9120  245.128   12.609  249.479   18.510  241.362   17.224  191.373   7.1373  188.287   6.7504 3.085983 9.823936 
1 1 1  -22   12   47 o  190.395   4.9439  247.082   12.724  244.845   18.622  249.040   17.426  189.549   7.2497  191.242   6.7240 -1.693604 9.887864 
1 1 1  -22   12   48 o  186.858   5.9068  244.577   14.524  272.781   19.151  206.400   22.282  200.074   7.0637  173.642   9.4693 26.43166 11.81364 
1 1 1  -22   12   49 o   62.607   9.4650   28.011   7.9572   34.659   11.159   21.133   11.350   70.947   11.607   54.268   14.954 16.67865 18.93006 
1 1 1  -22   12   50 o  131.583   7.9321  118.253   14.144  118.253   14.144   0.0000   0.0000  131.583   7.9321  ?   ?       ?      ? 
1 1 1  -22   12   51 o  146.089   6.5173  144.060   12.260  139.401   15.034  153.309   21.184  142.856   7.7659  149.322   10.469 -6.465500 13.03468 
1 1 1  -22   12   52 o  107.531   5.7380   78.814   8.3026   81.312   12.589   76.891   11.045  108.981   8.5245  106.080   7.6833 2.901413 11.47605 
1 1 1  -22   12   53 o   93.171   6.2242   60.674   7.6722   52.921   11.731   66.470   10.142   87.728   9.8673   98.614   7.5895 -10.88625 12.44849 
1 1 1  -22   12   54 o  159.587   5.0763  174.220   10.934  171.518   16.136  176.513   14.867  158.377   7.5184  160.796   6.8229 -2.418488 10.15268 
1 1 1  -22   12   55 o  153.714   5.1624  162.046   10.700  156.276   15.776  166.960   14.560  151.093   7.7052  156.336   6.8726 -5.242462 10.32482 
1 1 1  -22   12   56 o   85.987   6.6551   51.075   7.6368   49.996   11.804   51.851   10.015   85.077   10.238   86.897   8.5049 -1.820480 13.31016 
1 1 1  -22   12   57 o  176.902   6.5672  222.680   14.119  199.197   25.868  232.645   16.851  169.336   11.273  184.467   6.7409 -15.13084 13.13434 
1 1 1  -22   12   58 o  163.661   6.4115  174.954   12.786  207.245   24.996  163.512   14.879  172.806   10.674  154.516   7.1061 18.28949 12.82300 
1 1 1  -22   12   59 o  138.945   6.7635  140.323   11.355  117.651   20.579  150.248   13.616  129.756   11.704  148.134   6.7828 -18.37881 13.52704 
1 1 1  -22   12   60 o  131.958   7.2511  119.885   12.793  127.949   20.034  114.333   16.624  135.448   10.915  128.468   9.5491 6.980164 14.50211 
1 1 1  -22   12   61 o   70.553   10.577   38.632   9.6084   28.389   15.905   44.518   12.057   61.351   17.974   79.754   11.156 -18.40323 21.15466 
1 1 1  -22   12   62 o   76.939   7.9753   45.430   7.4324   29.416   11.517   56.859   9.7296   63.078   13.853   90.800   7.9073 -27.72237 15.95070 
1 1 1  -22   12   63 o   55.849   9.1135   23.498   6.6964   20.080   10.527   25.821   8.6787   51.959   14.434   59.739   11.130 -7.780003 18.22701 
1 1 1  -22   12   64 o  114.334   5.6812   90.419   8.7299   90.850   13.226   90.086   11.621  114.423   8.5298  114.244   7.5063 0.1784134 11.36232 
1 1 1  -22   12   65 o  118.710   7.0802  100.183   10.834  103.436   13.542   94.400   18.059  122.103   8.1841  115.318   11.556 6.785301 14.16046 
1 1 1  -22   12   66 o   47.472   9.0490   15.310   6.2750   26.151   9.8156   7.8164   8.1603   59.355   12.593   35.590   12.998 23.76499 18.09804 
1 1 1  -22   12   67 o   99.093   5.9690   68.577   7.9747   67.624   11.837   69.368   10.791   98.309   8.8850   99.876   7.9732 -1.567665 11.93799 
1 1 1  -22   12   68 o   53.475   9.0495   21.686   6.4634   19.798   9.6438   23.225   8.7088   51.056   13.668   55.894   11.865 -4.838455 18.09892 
1 1 1  -22   12   69 o   94.363   6.9961   63.174   8.7892   63.242   11.435   63.077   13.740   94.829   8.8981   93.898   10.798 0.9310226 13.99216 
1 1 1  -22   12   70 o   66.518   8.8072   32.824   7.5856   30.487   9.9933   36.001   11.652   63.920   11.977   69.115   12.916 -5.195637 17.61431 
1 1 1  -22   12   71 o  107.635   6.4584   78.928   9.2344   65.288   11.761  100.856   14.912   96.027   9.0378  119.242   9.2283 -23.21524 12.91679 
1 1 1  -22   12   72 o   46.151   10.976   15.553   8.0249   20.649   12.751   12.210   10.327   50.967   16.320   41.335   14.682 9.631134 21.95233 
1 1 1  -22   12   73 o   37.767   10.432   6.4237   7.7261   15.018   12.662   1.3259   9.7519   44.998   16.228   30.536   13.113 14.46269 20.86375 
1 1 1  -22   12   74 o   49.441   9.8617   19.886   8.3582   1.0617   13.422   31.808   10.682   34.503   15.095   64.380   12.695 -29.87682 19.72337 
1 1 1  -22   12   75 o   56.474   11.237   25.071   8.8109   32.599   14.304   20.469   11.185   62.563   16.598   50.386   15.151 12.17625 22.47334 
1 1 1  -22   12   76 o   88.605   11.636   58.317   13.971   0.0000   0.0000   58.317   13.971  ?   ?    88.605   11.636      ?      ? 
1 1 1  -22   13    1 o   89.633   5.5586   54.810   6.7339   50.526   9.5631   59.024   9.4838   86.133   8.1931   93.133   7.5144 -6.999802 11.11724 
1 1 1  -22   13    2 o  129.596   4.8981  114.195   8.6013  116.087   12.244  112.351   12.086  130.656   6.9152  128.535   6.9386 2.121399 9.796186 
1 1 1  -22   13    3 o  257.818   4.8468  452.051   16.929  463.418   23.934  440.669   23.950  261.074   6.7649  254.562   6.9428 6.512054 9.693620 
1 1 1  -22   13    4 o   51.989   8.3637   19.467   5.7354   17.175   8.6984   21.230   7.6287   49.153   12.897   54.825   10.652 -5.671852 16.72732 
1 1 1  -22   13    5 o  225.487   4.7303  345.623   14.452  354.005   20.539  337.403   20.339  228.200   6.6416  222.774   6.7374 5.425888 9.460615 
1 1 1  -22   13    6 o   92.454   5.4518   56.930   6.6382   53.245   8.3353   63.322   10.976   88.488   6.9511   96.420   8.4007 -7.931442 10.90363 
1 1 1  -22   13    7 o   89.368   5.5625   54.526   6.5227   55.031   8.2723   53.696   10.605   89.968   6.7851   88.767   8.8165 1.201263 11.12508 
1 1 1  -22   13    8 o   98.345   5.3560   65.741   6.9000   65.540   8.7019   66.080   11.324   98.196   6.5394   98.494   8.4844 -0.2980347 10.71209 
1 1 1  -22   13    9 o  157.002   4.9190  167.659   9.8073  167.747   11.945  167.478   17.179  157.162   5.6087  156.841   8.0826 0.3209534 9.837957 
1 1 1  -22   13   10 o  101.044   5.9591   69.529   8.1581   71.510   11.611   67.599   11.465  102.469   8.3619   99.620   8.4924 2.849609 11.91818 
1 1 1  -22   13   11 o   63.483   8.0231   28.230   6.6960   26.070   9.8813   30.065   9.1055   60.603   12.448   66.362   10.125 -5.758972 16.04621 
1 1 1  -22   13   12 o   93.467   5.5816   58.999   6.8793   57.510   8.7202   61.454   11.194   91.963   6.9973   94.971   8.6981 -3.008202 11.16327 
1 1 1  -22   13   13 o  153.888   4.9481  157.499   9.7385  150.788   11.827  171.633   17.163  148.991   5.8576  158.785   7.9765 -9.794342 9.896252 
1 1 1  -22   13   14 o   96.872   5.6854   64.796   7.1984   67.615   9.1663   60.259   11.627   99.727   6.7827   94.016   9.1263 5.710052 11.37073 
1 1 1  -22   13   15 o   83.117   6.1312   47.859   6.6996   50.761   8.6517   43.512   10.588   86.380   7.3911   79.854   9.7847 6.525497 12.26249 
1 1 1  -22   13   16 o   72.401   8.3991   35.704   8.2406   35.704   8.2406   0.0000   0.0000   72.401   8.3991  ?   ?       ?      ? 
1 1 1  -22   13   17 o  225.564   5.6684  345.566   17.327  345.566   17.327   0.0000   0.0000  225.564   5.6684  ?   ?       ?      ? 
1 1 1  -22   13   18 o   52.904   8.4408   20.161   5.8997   22.428   7.9493   17.382   8.8025   56.365   10.800   49.444   12.975 6.920559 16.88162 
1 1 1  -22   13   19 o  245.047   5.3074  414.632   16.163  424.224   19.449  393.225   29.056  249.909   5.7430  240.184   8.9271 9.724869 10.61482 
1 1 1  -22   13   20 o  134.224   5.2125  123.497   9.0269  125.681   11.226  119.502   15.185  136.003   6.0909  132.445   8.4605 3.558197 10.42494 
1 1 1  -22   13   21 o   93.554   5.8338   59.199   7.2173   57.784   9.1969   61.468   11.644   92.158   7.3642   94.950   9.0499 -2.792213 11.66758 
1 1 1  -22   13   22 o  246.276   5.3643  415.924   16.434  420.849   19.731  404.769   29.696  248.895   5.8499  243.658   8.9935 5.236725 10.72863 
1 1 1  -22   13   23 o  112.879   8.5507   86.823   13.080   86.823   13.080   0.0000   0.0000  112.879   8.5507  ?   ?       ?      ? 
1 1 1  -22   13   24 o  218.064   7.2945  323.539   21.556  323.539   21.556   0.0000   0.0000  218.064   7.2945  ?   ?       ?      ? 
1 1 1  -22   13   25 o  186.585   5.2010  236.172   12.319  234.831   14.977  238.976   21.661  185.907   5.9451  187.263   8.5357 -1.356537 10.40205 
1 1 1  -22   13   26 o  251.196   5.3382  423.310   16.687  414.189   19.876  445.092   30.714  246.894   5.9406  255.498   8.8709 -8.603439 10.67633 
1 1 1  -22   13   27 o  179.089   5.6870  217.485   13.736  209.142   18.410  227.965   20.632  175.264   7.7512  182.913   8.3238 -7.649033 11.37394 
1 1 1  -22   13   28 o  172.628   5.2305  201.208   11.630  197.724   14.310  207.988   19.962  170.559   6.1915  174.697   8.4319 -4.138107 10.46096 
1 1 1  -22   13   29 o  323.096   5.9291  723.143   23.633  740.693   28.299  682.693   42.964  330.084   6.3265  316.109   10.030 13.97549 11.85819 
1 1 1  -22   13   30 o  103.935   6.0212   73.664   8.3116   73.764   10.742   73.515   13.120  104.086   7.6159  103.784   9.3284 0.3017731 12.04246 
1 1 1  -22   13   31 o  197.605   5.2440  266.754   13.144  268.523   16.018  263.108   22.998  198.776   5.9464  196.435   8.6394 2.341049 10.48800 
1 1 1  -22   13   32 o   85.564   6.6199   49.686   7.5222   48.547   9.6656   51.437   11.979   84.386   8.4523   86.741   10.191 -2.354645 13.23981 
1 1 1  -22   13   33 o  270.925   6.0480  498.933   22.205  498.933   22.205   0.0000   0.0000  270.925   6.0480  ?   ?       ?      ? 
1 1 1  -22   13   34 o  164.526   5.3205  182.797   11.198  179.744   13.681  188.995   19.494  162.594   6.2089  166.459   8.6418 -3.864426 10.64101 
1 1 1  -22   13   35 o  302.955   5.7986  635.231   21.688  649.577   25.972  602.180   39.421  309.087   6.2006  296.823   9.8004 12.26407 11.59725 
1 1 1  -22   13   36 o   79.946   6.8466   42.182   7.2663   32.568   9.4048   56.418   11.445   69.006   10.057   90.886   9.2927 -21.87962 13.69311 
1 1 1  -22   13   37 f  325.744   5.9807  731.928   23.934  743.426   28.512  704.497   44.040  330.602   6.3642  320.886   10.128 9.716003 11.96136 
1 1 1  -22   13   38 f  216.856   5.4372  328.706   14.814  343.967   18.102  297.768   25.774  224.923   5.9391  208.789   9.1094 16.13454 10.87441 
1 1 1  -22   13   39 o  119.704   5.5974   92.339   8.8060   76.268   10.948  121.797   14.822  105.785   7.6369  133.623   8.1854 -27.83839 11.19478 
1 1 1  -22   13   40 o  170.598   5.6956  198.252   12.954  197.005   16.848  200.057   20.260  170.043   7.3114  171.153   8.7351 -1.110138 11.39119 
1 1 1  -22   13   41 o   83.985   6.5280   47.295   7.3390   54.293   11.531   42.531   9.5149   89.079   9.5525   78.892   8.9000 10.18663 13.05602 
1 1 1  -22   13   42 o  214.191   4.9440  312.614   14.311  311.629   21.009  313.467   19.548  213.832   7.2503  214.549   6.7236 -0.7170258 9.888030 
1 1 1  -22   13   43 o  147.337   7.0468  149.951   13.801  142.318   21.415  155.373   18.049  143.924   10.980  150.748   8.8354 -6.823929 14.09350 
1 1 1  -22   13   44 o  179.439   5.8211  220.422   13.926  222.624   18.188  217.303   21.648  180.660   7.4292  178.218   8.9636 2.441757 11.64216 
1 1 1  -22   13   45 o   85.725   7.3247   49.982   8.4342   41.502   11.383   60.305   12.559   77.689   10.812   93.761   9.8842 -16.07250 14.64941 
1 1 1  -22   13   46 o  203.957   7.2036  283.811   19.910  283.811   19.910   0.0000   0.0000  203.957   7.2036  ?   ?       ?      ? 
1 1 1  -22   13   47 o  173.754   4.9948  206.432   11.699  201.440   17.342  210.602   15.848  171.753   7.4507  175.754   6.6543 -4.000214 9.989633 
1 1 1  -22   13   48 o  140.362   6.5093  134.926   11.856  134.311   14.766  136.042   19.891  140.163   7.7741  140.561   10.443 -0.3971863 13.01861 
1 1 1  -22   13   49 o   75.332   9.4962   41.459   8.8861   44.220   11.034   36.362   14.990   80.137   10.160   70.527   16.046 9.610008 18.99237 
1 1 1  -22   13   50 o  100.764   6.0429   70.693   8.1123   61.969   12.144   77.723   10.901   94.930   9.4402  106.597   7.5465 -11.66659 12.08584 
1 1 1  -22   13   51 o  177.160   5.0160  214.369   11.997  216.642   17.797  212.477   16.241  177.956   7.3798  176.365   6.7955 1.591171 10.03198 
1 1 1  -22   13   52 o   68.260   8.3646   35.579   7.0772   23.055   11.042   44.312   9.2201   56.192   14.427   80.329   8.4699 -24.13762 16.72926 
1 1 1  -22   13   53 o   57.458   10.910   23.691   7.8475   24.184   15.909   23.532   9.0214   57.818   18.198   57.099   12.038 0.7190971 21.81985 
1 1 1  -22   13   54 o   44.100   10.881   12.419   7.1120   11.231   15.256   12.749   8.0390   45.777   17.552   42.423   12.865 3.353466 21.76132 
1 1 1  -22   13   55 o   79.816   7.0139   44.760   7.3603   41.267   11.661   47.073   9.4893   76.953   11.182   82.678   8.4695 -5.725319 14.02781 
1 1 1  -22   13   56 o   75.974   10.268   43.146   9.8186   37.300   16.351   46.443   12.279   70.373   17.273   81.575   11.108 -11.20230 20.53661 
1 1 1  -22   13   57 o   69.891   9.7659   34.499   7.8261   37.093   16.064   33.692   8.9616   70.079   17.073   69.704   9.4874 0.3752670 19.53177 
1 1 1  -22   13   58 o   88.231   7.9646   53.841   8.2965   56.213   16.520   53.041   9.5943   88.779   13.731   87.683   8.0745 1.096115 15.92927 
1 1 1  -22   13   59 o  139.001   5.3011  134.534   9.8469  122.669   14.801  143.954   13.189  133.219   8.1988  144.783   6.7221 -11.56406 10.60224 
1 1 1  -22   13   60 o   94.068   6.2209   62.040   7.7737   58.071   12.021   64.894   10.192   91.203   9.7262   96.933   7.7588 -5.730034 12.44175 
1 1 1  -22   13   61 o  113.343   5.6185   88.749   8.5389   90.226   13.099   87.658   11.260  113.994   8.4796  112.693   7.3734 1.301491 11.23701 
1 1 1  -22   13   62 o   64.877   7.9404   30.130   6.7309   31.061   10.449   29.471   8.7998   64.993   12.315   64.761   10.027 0.2327271 15.88081 
1 1 1  -22   13   63 f   45.492   9.9852   11.409   7.3758   2.3326   9.2486   27.270   12.226   31.284   13.068   59.701   15.101 -28.41687 19.97048 
1 1 1  -22   13   64 o   50.002   9.2546   18.991   6.3198   17.200   9.7930   20.269   8.2730   47.814   14.131   52.191   11.954 -4.376286 18.50929 
1 1 1  -22   13   65 o   53.203   9.1989   20.854   6.5008   25.027   10.242   18.038   8.4129   57.453   13.400   48.954   12.606 8.499313 18.39771 
1 1 1  -22   13   66 o   98.541   7.0965   70.229   9.2794   78.349   12.473   60.165   13.886  105.600   8.7164   91.482   11.201 14.11749 14.19303 
1 1 1  -22   13   67 o   93.929   6.9897   61.603   8.8104   52.889   11.577   73.596   13.581   86.175   9.9135  101.683   9.8563 -15.50774 13.97939 
1 1 1  -22   13   68 o   42.070   10.107   12.976   6.9229   14.583   9.4419   11.107   10.181   43.945   14.040   40.195   14.543 3.749210 20.21461 
1 1 1  -22   13   69 o   54.633   9.7712   23.282   7.1974   23.436   9.5446   23.079   10.959   55.179   12.981   54.087   14.608 1.092167 19.54249 
1 1 1  -22   13   70 o   81.080   10.026   47.312   11.017   47.312   11.017   0.0000   0.0000   81.080   10.026  ?   ?       ?      ? 
1 1 1  -22   13   71 o  135.471   7.3977  133.662   13.426  129.322   20.337  137.014   17.875  132.763   11.304  138.179   9.5461 -5.415771 14.79533 
1 1 1  -22   13   72 o   83.583   8.9375   51.207   9.9700   60.028   15.872   45.458   12.813   89.045   13.154   78.120   12.103 10.92500 17.87495 
1 1 1  -22   13   73 o   64.185   14.035   32.683   11.867   0.0000   0.0000   32.683   11.867  ?   ?    64.185   14.035      ?      ? 
1 1 1  -22   13   74 o   81.427   12.189   49.837   13.450   0.0000   0.0000   49.837   13.450  ?   ?    81.427   12.189      ?      ? 
1 1 1  -22   14    1 o  120.381   5.1878   98.609   8.4571  103.835   12.093   93.606   11.832  123.510   7.2251  117.252   7.4464 6.257896 10.37551 
1 1 1  -22   14    2 o   83.664   6.2478   48.384   6.9819   40.222   10.080   55.912   9.6802   76.733   9.6937   90.595   7.8849 -13.86200 12.49555 
1 1 1  -22   14    3 o  113.423   5.2955   87.456   8.1330   91.586   11.773   83.686   11.249  115.980   7.4907  110.866   7.4871 5.114449 10.59094 
1 1 1  -22   14    4 o  153.833   4.9141  160.878   10.236  170.276   14.688  152.005   14.272  158.206   6.8512  149.460   7.0467 8.746140 9.828220 
1 1 1  -22   14    5 o  130.246   5.0848  115.530   8.9677  110.850   12.726  120.147   12.639  127.610   7.3590  132.881   7.0189 -5.271004 10.16957 
1 1 1  -22   14    6 o  140.918   5.5209  134.499   10.410  130.704   13.593  139.882   16.187  138.579   7.2384  143.258   8.3382 -4.678528 11.04174 
1 1 1  -22   14    7 o  183.925   5.5529  230.725   13.677  232.492   18.052  228.344   20.956  184.829   7.2072  183.021   8.4495 1.807266 11.10572 
1 1 1  -22   14    8 o  153.645   5.6758  162.380   11.694  175.723   15.881  146.580   17.282  160.679   7.2935  146.612   8.6984 14.06670 11.35155 
1 1 1  -22   14    9 o  118.702   5.2754   94.132   8.1626   89.699   10.126  102.360   13.795  114.852   6.5058  122.552   8.3062 -7.700294 10.55077 
1 1 1  -22   14   10 o   67.377   7.3830   29.745   6.2878   19.164   7.9985   46.863   10.173   51.877   11.661   82.877   9.0585 -30.99927 14.76609 
1 1 1  -22   14   11 o  100.515   5.6685   67.087   7.4886   62.168   9.3603   75.836   12.482   95.576   7.2270  105.454   8.7347 -9.878624 11.33690 
1 1 1  -22   14   12 o   70.540   6.8310   33.219   6.4233   30.024   8.2329   38.188   10.269   66.332   9.1590   74.748   10.137 -8.416557 13.66207 
1 1 1  -22   14   13 o  115.660   5.4823   90.905   8.2242   90.422   10.231   91.785   13.827  115.312   6.5470  116.009   8.7955 -0.6968613 10.96465 
1 1 1  -22   14   14 o  142.508   6.1505  138.046   11.878  138.046   11.878   0.0000   0.0000  142.508   6.1505  ?   ?       ?      ? 
1 1 1  -22   14   15 o  183.446   5.2007  232.696   11.999  239.204   14.597  219.135   21.071  187.629   5.7408  179.264   8.6736 8.364563 10.40136 
1 1 1  -22   14   16 o  139.422   5.3335  134.796   9.5077  140.207   11.784  124.706   16.092  143.625   6.0547  135.220   8.7820 8.404572 10.66696 
1 1 1  -22   14   17 o  126.466   5.3026  106.158   8.7208   99.743   10.758  118.451   14.893  121.106   6.5552  131.826   8.3367 -10.72015 10.60528 
1 1 1  -22   14   18 o  155.652   5.0375  155.890   10.027  139.766   12.056  192.087   18.063  143.385   6.2044  167.918   7.9379 -24.53249 10.07497 
1 1 1  -22   14   19 o  110.019   5.6026   82.732   8.0427   83.485   10.119   81.440   13.252  110.784   6.7405  109.255   8.9510 1.528687 11.20513 
1 1 1  -22   14   20 o   78.426   6.4989   41.354   6.8052   38.565   8.7819   45.546   10.767   75.200   8.6176   81.651   9.7304 -6.451324 12.99788 
1 1 1  -22   14   21 f  119.906   5.5923  100.174   8.6391  105.837   10.849   90.358   14.283  124.755   6.4170  115.056   9.1607 9.698616 11.18465 
1 1 1  -22   14   22 o  277.817   5.4928  515.849   18.743  502.819   22.098  549.258   35.384  271.981   5.9956  283.653   9.2053 -11.67181 10.98565 
1 1 1  -22   14   23 o  164.457   5.2867  185.887   11.098  189.431   13.650  178.978   19.059  166.933   6.0341  161.981   8.6826 4.952271 10.57347 
1 1 1  -22   14   24 o  243.257   5.9052  409.253   19.100  440.411   25.318  368.101   29.097  254.329   7.3461  232.185   9.2477 22.14366 11.81041 
1 1 1  -22   14   25 o  100.011   6.6946   68.290   9.0701   70.771   12.985   65.926   12.674  101.789   9.4139   98.234   9.5210 3.555099 13.38928 
1 1 1  -22   14   26 o  279.023   5.5155  518.126   18.913  501.953   22.277  559.871   35.790  271.719   6.0500  286.327   9.2239 -14.60828 11.03099 
1 1 1  -22   14   27 o  185.609   5.4249  245.203   12.635  266.488   15.619  204.897   21.492  198.003   5.8208  173.215   9.1562 24.78769 10.84980 
1 1 1  -22   14   28 o   92.415   6.5958   60.313   7.9274   67.365   10.278   49.958   12.455   99.434   7.6277   85.396   10.763 14.03863 13.19150 
1 1 1  -22   14   29 f  199.739   5.7472  270.534   15.366  262.725   20.084  281.555   23.861  196.370   7.5475  203.107   8.6693 -6.736832 11.49442 
1 1 1  -22   14   30 o  102.417   9.3023   71.680   12.911   71.680   12.911   0.0000   0.0000  102.417   9.3023  ?   ?       ?      ? 
1 1 1  -22   14   31 o   62.663   11.194   27.726   9.1564   27.726   9.1564   0.0000   0.0000   62.663   11.194  ?   ?       ?      ? 
1 1 1  -22   14   32 o  199.791   5.4283  278.418   13.625  289.987   16.625  254.758   23.776  206.501   5.9411  193.081   9.0868 13.41934 10.85669 
1 1 1  -22   14   33 o  181.658   5.2520  221.318   12.185  214.501   14.816  235.568   21.421  177.569   6.1570  185.747   8.5103 -8.177567 10.50398 
1 1 1  -22   14   34 o  190.318   5.3418  248.320   12.910  250.954   15.766  242.960   22.488  192.068   6.0575  188.568   8.8004 3.500214 10.68360 
1 1 1  -22   14   35 o   86.677   7.1671   51.551   8.4060   52.915   11.678   50.084   12.110   87.899   9.8038   85.454   10.457 2.445671 14.33417 
1 1 1  -22   14   36 o  148.260   5.7685  148.844   11.468  142.035   15.023  158.355   17.755  144.293   7.6827  152.226   8.6069 -7.932693 11.53699 
1 1 1  -22   14   37 o   71.576   8.3529   35.842   7.8382   29.511   10.858   42.731   11.327   64.265   12.916   78.887   10.595 -14.62225 16.70581 
1 1 1  -22   14   38 o  168.020   5.6494  189.969   12.677  177.281   16.370  208.975   20.035  161.194   7.4941  174.846   8.4557 -13.65237 11.29871 
1 1 1  -22   14   39 o   98.979   6.1949   65.661   8.1705   60.008   10.471   74.461   13.064   93.699   8.2465  104.259   9.2467 -10.55956 12.38981 
1 1 1  -22   14   40 o  200.926   5.8502  276.352   15.764  278.179   20.891  273.936   24.024  201.833   7.6379  200.018   8.8634 1.814377 11.70032 
1 1 1  -22   14   41 o  138.368   6.1145  129.142   11.355  107.209   15.139  157.343   17.167  125.090   8.9310  151.646   8.3537 -26.55619 12.22899 
1 1 1  -22   14   42 o  118.039   5.8636   93.423   9.0773   88.098   11.339  102.927   15.147  113.574   7.3673  122.503   9.1242 -8.928772 11.72727 
1 1 1  -22   14   43 o  112.674   6.4036   92.144   9.1291  105.754   11.618   70.179   14.759  124.477   6.8875  100.870   10.798 23.60744 12.80723 
1 1 1  -22   14   44 o  151.897   5.8413  157.160   11.849  152.946   15.405  163.264   18.543  149.545   7.6017  154.249   8.8711 -4.703690 11.68252 
1 1 1  -22   14   45 o   65.388   7.8945   28.922   6.7341   36.201   10.867   24.385   8.5801   72.343   11.085   58.434   11.244 13.90867 15.78905 
1 1 1  -22   14   46 o   49.610   10.621   17.970   8.0947   23.134   10.314   9.6864   13.062   56.411   13.642   42.808   16.282 13.60342 21.24123 
1 1 1  -22   14   47 o  139.820   6.5811  134.718   11.994  134.960   15.050  134.296   19.857  140.304   7.9155  139.336   10.516 0.9681091 13.16222 
1 1 1  -22   14   48 o  101.660   8.0835   77.631   9.4412   60.321   18.025   84.176   11.083   92.461   14.386  110.858   7.3776 -18.39736 16.16703 
1 1 1  -22   14   49 o  103.761   7.5315   74.853   9.2182   74.347   18.183   75.028   10.694  102.919   13.037  104.602   7.5445 -1.682419 15.06302 
1 1 1  -22   14   50 f   74.973   9.8597   45.540   8.2353   30.749   16.173   50.717   9.5687   64.077   17.923   85.870   8.2230 -21.79323 19.71940 
1 1 1  -22   14   51 o   56.796   9.8516   23.659   7.5927   18.891   10.578   28.727   10.905   50.854   14.589   62.738   13.242 -11.88433 19.70316 
1 1 1  -22   14   52 o   79.602   9.3754   47.381   8.3574   41.820   16.514   49.295   9.6900   74.668   16.735   84.536   8.4585 -9.868301 18.75089 
1 1 1  -22   14   53 o   51.535   9.1915   19.954   6.3479   16.788   10.352   21.862   8.0361   48.099   14.601   54.971   11.169 -6.872456 18.38291 
1 1 1  -22   14   54 o   77.534   6.8796   42.177   7.0462   40.169   11.132   43.518   9.1017   75.735   10.846   79.334   8.4661 -3.599464 13.75918 
1 1 1  -22   14   55 o   63.453   8.5131   31.420   6.7361   21.059   10.980   37.674   8.5300   53.153   14.733   73.753   8.5346 -20.59974 17.02617 
1 1 1  -22   14   56 o   57.325   9.8857   26.298   7.1920   17.464   14.384   29.242   8.3046   49.890   17.360   64.761   9.4630 -14.87103 19.77142 
1 1 1  -22   14   57 o  115.056   5.5358   90.156   8.5279  100.811   13.366   82.841   11.075  120.590   8.1791  109.522   7.4621 11.06747 11.07166 
1 1 1  -22   14   58 f   98.314   5.9521   65.050   7.7991   80.724   12.450   54.927   10.005  107.715   8.5294   88.913   8.3040 18.80192 11.90413 
1 1 1  -22   14   59 o   84.340   7.2806   54.499   7.4061   34.770   11.324   69.246   9.7904   68.607   12.646  100.073   7.2194 -31.46646 14.56130 
1 1 1  -22   14   60 o   53.254   9.2240   20.802   6.4810   24.182   10.436   18.681   8.2685   56.498   13.759   50.009   12.289 6.488903 18.44808 
1 1 1  -22   14   61 o   66.325   9.8493   34.698   8.4969   40.490   10.889   25.680   13.587   75.413   10.655   57.237   16.568 18.17638 19.69854 
1 1 1  -22   14   62 o  121.396   5.4428  101.797   8.9097  111.683   13.441   94.049   11.900  126.547   7.8378  116.245   7.5541 10.30202 10.88560 
1 1 1  -22   14   63 o   80.249   8.1359   45.094   8.1705   28.254   10.558   70.236   12.900   60.970   13.164   99.528   9.5648 -38.55788 16.27188 
1 1 1  -22   14   64 o   51.278   9.9844   20.596   7.2455   23.765   9.8375   16.840   10.712   55.658   13.236   46.897   14.952 8.760525 19.96877 
1 1 1  -22   14   65 o   51.808   10.014   21.122   7.2434   22.786   9.6638   18.988   10.943   54.351   13.242   49.265   15.025 5.086067 20.02753 
1 1 1  -22   14   66 f   50.055   10.044   19.464   7.1311   17.054   9.6673   22.341   10.562   46.853   14.085   53.257   14.323 -6.403622 20.08816 
1 1 1  -22   14   67 o   39.469   10.062   10.904   6.9673   13.121   9.4322   8.2421   10.336   41.847   14.071   37.091   14.386 4.756443 20.12392 
1 1 1  -22   14   68 o   54.877   10.090   23.712   7.4930   22.385   9.7940   25.585   11.636   53.377   13.524   56.377   14.976 -3.000546 20.17909 
1 1 1  -22   14   69 o   52.120   10.544   22.902   8.6508   9.8261   13.682   31.612   11.166   40.631   16.302   63.609   13.378 -22.97842 21.08857 
1 1 1  -22   14   70 o   87.520   11.598   56.882   13.756   0.0000   0.0000   56.882   13.756  ?   ?    87.520   11.598      ?      ? 
1 1 1  -22   14   71 o   46.506   15.394   17.368   11.297   0.0000   0.0000   17.368   11.297  ?   ?    46.506   15.394      ?      ? 
1 1 1  -22   14   72 o   39.035   14.848   10.459   10.862   0.0000   0.0000   10.459   10.862  ?   ?    39.035   14.848      ?      ? 
1 1 1  -22   14   73 o   52.204   15.736   22.858   12.054   0.0000   0.0000   22.858   12.054  ?   ?    52.204   15.736      ?      ? 
1 1 1  -22   15    1 o  127.969   5.9496  109.068   10.046  123.606   16.570  100.618   12.633  134.464   9.0935  121.473   7.6746 12.99129 11.89915 
1 1 1  -22   15    2 o  189.913   5.6799  247.488   14.123  240.417   22.999  251.767   17.894  187.548   9.0492  192.278   6.8673 -4.730606 11.35987 
1 1 1  -22   15    3 o  131.539   5.1786  117.897   9.2295  118.219   13.180  117.588   12.929  131.709   7.3843  131.370   7.2625 0.3393250 10.35721 
1 1 1  -22   15    4 o   98.092   7.6761   61.587   9.0600   75.805   18.227   56.921   10.441  104.870   12.826   91.315   8.4377 13.55488 15.35226 
1 1 1  -22   15    5 o  198.026   6.3114  271.571   15.598  258.331   27.837  277.631   18.833  194.129   10.582  201.924   6.8824 -7.794693 12.62290 
1 1 1  -22   15    6 o  141.977   5.7511  137.416   10.874  136.972   14.118  138.063   17.048  141.784   7.3481  142.170   8.8489 -0.3853149 11.50210 
1 1 1  -22   15    7 o   72.259   6.8297   35.927   6.4543   36.545   8.1665   34.899   10.535   73.185   8.2344   71.332   10.898 1.853203 13.65934 
1 1 1  -22   15    8 o   69.276   6.8948   31.492   6.3386   25.748   8.0629   40.785   10.256   61.349   9.6984   77.204   9.8027 -15.85509 13.78959 
1 1 1  -22   15    9 o   51.134   8.7910   18.844   5.9568   19.686   7.6777   17.571   9.4415   52.602   11.119   49.667   13.620 2.935017 17.58191 
1 1 1  -22   15   10 o  101.022   5.6904   67.384   7.5103   61.829   9.2913   77.856   12.756   95.274   7.1965  106.770   8.8165 -11.49627 11.38074 
1 1 1  -22   15   11 o  149.206   5.9549  151.389   12.040  151.389   12.040   0.0000   0.0000  149.206   5.9549  ?   ?       ?      ? 
1 1 1  -22   15   12 o   92.837   7.2443   58.711   9.1137   58.711   9.1137   0.0000   0.0000   92.837   7.2443  ?   ?       ?      ? 
1 1 1  -22   15   13 o   54.327   8.4644   22.699   6.2757   30.806   8.1394   10.816   9.8548   67.153   8.9443   41.501   14.373 25.65224 16.92883 
1 1 1  -22   15   14 o   79.121   6.4646   41.749   6.7867   38.068   8.6137   47.774   11.021   74.678   8.5116   83.563   9.7323 -8.885002 12.92926 
1 1 1  -22   15   15 o   81.472   6.6147   45.280   7.0887   44.961   8.9889   45.803   11.528   81.181   8.1709   81.764   10.405 -0.5830154 13.22949 
1 1 1  -22   15   16 o  151.495   5.3259  157.203   10.256  158.715   12.534  154.139   17.841  152.760   6.0547  150.230   8.7637 2.529724 10.65187 
1 1 1  -22   15   17 o  193.130   5.2381  253.574   12.717  252.570   15.336  255.786   22.754  192.723   5.8722  193.537   8.6758 -0.8133545 10.47620 
1 1 1  -22   15   18 o   98.881   6.3631   70.392   7.9864   79.974   10.147   54.794   12.946  108.370   6.9097   89.392   10.687 18.97806 12.72619 
1 1 1  -22   15   19 o  145.926   5.2606  140.238   9.8808  130.456   12.021  160.609   17.348  138.457   6.4070  153.395   8.3455 -14.93826 10.52127 
1 1 1  -22   15   20 o  197.637   5.3575  270.858   13.282  278.905   16.133  253.929   23.401  202.511   5.8786  192.762   8.9583 9.749115 10.71491 
1 1 1  -22   15   21 o  125.863   5.9805  109.253   10.036  115.240   13.291  101.309   15.309  130.014   7.5438  121.712   9.2820 8.302551 11.96092 
1 1 1  -22   15   22 o  120.286   7.4578  101.186   11.719   91.150   18.748  107.622   15.013  115.076   12.022  125.495   8.8280 -10.41851 14.91551 
1 1 1  -22   15   23 o   65.228   8.8283   29.997   7.5891   22.637   10.534   37.939   10.943   56.113   13.920   74.343   10.862 -18.22933 17.65657 
1 1 1  -22   15   24 o  223.161   5.6749  334.194   16.716  316.173   21.110  364.495   27.374  215.381   7.2326  230.941   8.7468 -15.56021 11.34977 
1 1 1  -22   15   25 o  218.321   5.6794  325.185   16.391  324.596   20.983  326.107   26.253  218.244   7.0949  218.398   8.8705 -0.1540680 11.35881 
1 1 1  -22   15   26 o  106.247   6.3628   77.521   9.1009   80.339   12.326   74.144   13.494  108.444   8.3877  104.051   9.5700 4.393036 12.72550 
1 1 1  -22   15   27 o   98.573   6.6619   66.945   8.8395   71.605   12.118   61.644   12.923  102.335   8.7380   94.811   10.058 7.523506 13.32376 
1 1 1  -22   15   28 o  309.094   7.5307  651.829   31.543  651.829   31.543   0.0000   0.0000  309.094   7.5307  ?   ?       ?      ? 
1 1 1  -22   15   29 f   73.417   9.5731   36.940   9.5243   36.940   9.5243   0.0000   0.0000   73.417   9.5731  ?   ?       ?      ? 
1 1 1  -22   15   30 o   84.028   6.6102   46.630   7.3773   36.520   9.5119   61.892   11.687   72.984   9.6174   95.073   9.0711 -22.08952 13.22042 
1 1 1  -22   15   31 f   53.904   9.1304   20.632   6.5450   18.513   8.6782   23.429   9.9672   50.756   12.660   57.052   13.160 -6.296230 18.26084 
1 1 1  -22   15   32 o  152.788   5.5970  163.913   10.876  173.507   13.489  146.084   18.388  159.600   6.2367  145.976   9.2956 13.62411 11.19394 
1 1 1  -22   15   33 o   95.161   6.4165   61.846   8.0256   61.157   10.156   62.991   13.096   94.588   7.9233   95.734   10.095 -1.146828 12.83302 
1 1 1  -22   15   34 o   52.236   9.3334   19.297   6.5710   16.661   8.6522   22.889   10.101   48.179   12.966   56.294   13.429 -8.114086 18.66687 
1 1 1  -22   15   35 o  118.587   5.8510   96.103   9.0093   95.685   11.228   96.858   15.096  118.398   6.9980  118.776   9.3790 -0.3777008 11.70201 
1 1 1  -22   15   36 o   91.827   7.3373   57.879   9.0688   49.140   12.441   67.787   13.247   84.382   10.880   99.272   9.8472 -14.88931 14.67458 
1 1 1  -22   15   37 o   63.351   13.641   29.023   11.364   29.023   11.364   0.0000   0.0000   63.351   13.641  ?   ?       ?      ? 
1 1 1  -22   15   38 o   54.861   14.742   21.867   11.194   21.867   11.194   0.0000   0.0000   54.861   14.742  ?   ?       ?      ? 
1 1 1  -22   15   39 o   84.568   8.0644   49.749   9.2034   53.969   12.880   45.347   13.156   88.350   10.758   80.786   12.017 7.564026 16.12872 
1 1 1  -22   15   40 o  319.154   6.4065  697.759   26.712  689.973   33.509  711.333   44.241  317.340   7.7920  320.968   10.171 -3.627625 12.81304 
1 1 1  -22   15   41 o  146.866   6.3309  148.256   12.560  146.591   17.051  150.231   18.570  146.049   8.6151  147.684   9.2791 -1.635696 12.66183 
1 1 1  -22   15   42 o  112.794   6.8478   87.844   10.462   91.218   14.841   84.511   14.751  114.981   9.5248  110.606   9.8412 4.374588 13.69565 
1 1 1  -22   15   43 o   85.128   8.2005   50.409   9.3378   61.757   13.614   40.328   12.832   94.346   10.649   75.910   12.474 18.43610 16.40096 
1 1 1  -22   15   45 o  310.723   6.0955  663.750   23.012  661.521   27.099  669.514   43.576  310.964   6.4306  310.482   10.357 0.4821167 12.19098 
1 1 1  -22   15   46 o  101.037   6.9069   69.871   9.3924   60.657   12.527   81.700   14.195   93.500   9.8867  108.574   9.6474 -15.07415 13.81373 
1 1 1  -22   15   47 o  101.699   8.2093   69.307   11.017   87.503   18.315   58.989   13.792  111.541   12.117   91.857   11.080 19.68389 16.41861 
1 1 1  -22   15   48 o  136.655   6.1877  129.509   11.374  132.129   15.283  126.257   17.028  138.394   8.1491  134.916   9.3137 3.478104 12.37548 
1 1 1  -22   15   49 o  181.980   5.0371  230.279   12.274  201.953   18.006  254.866   16.776  171.159   7.7630  192.801   6.4208 -21.64136 10.07428 
1 1 1  -22   15   50 o  100.410   5.8903   70.907   7.8147   63.760   12.116   75.998   10.226   95.739   9.3386  105.082   7.1813 -9.343384 11.78051 
1 1 1  -22   15   51 o   87.939   6.3059   53.921   7.3650   52.807   11.552   54.685   9.5600   86.941   9.8049   88.937   7.9322 -1.996246 12.61174 
1 1 1  -22   15   52 o   61.903   8.3064   29.780   6.4913   19.686   10.269   36.497   8.3772   51.310   14.257   72.496   8.5271 -21.18629 16.61279 
1 1 1  -22   15   53 o   53.643   10.306   18.146   6.7593   30.414   14.260   14.590   7.6765   62.806   16.529   44.480   12.315 18.32596 20.61263 
1 1 1  -22   15   54 o   62.033   9.8573   27.169   7.1896   31.281   14.904   25.922   8.2076   63.364   17.003   60.702   9.9777 2.661465 19.71458 
1 1 1  -22   15   55 o   61.614   8.0752   28.049   6.3966   25.064   10.101   30.049   8.2651   57.781   13.191   65.447   9.3191 -7.666504 16.15044 
1 1 1  -22   15   56 o   43.275   9.3874   13.983   6.0394   11.657   9.6071   15.503   7.7656   40.978   14.191   45.572   12.292 -4.594688 18.77478 
1 1 1  -22   15   57 o   79.730   6.9356   46.927   7.1322   35.132   10.880   55.817   9.4448   69.929   11.481   89.530   7.7847 -19.60052 13.87112 
1 1 1  -22   15   58 o   29.404   8.4997  -1.6135   5.7437   9.7211   9.4292  -8.3004   7.2424   38.467   13.984   20.341   9.6660 18.12634 16.99931 
1 1 1  -22   15   59 o   35.784   13.702   7.4192   9.2901   7.4192   9.2901   0.0000   0.0000   35.784   13.702  ?   ?       ?      ? 
1 1 1  -22   15   60 o   69.825   8.4968   35.470   7.8222   31.876   10.270   40.437   12.072   65.239   12.061   74.411   11.972 -9.171555 16.99366 
1 1 1  -22   15   61 o   37.517   9.3493   7.8638   6.9266   16.950   9.2214  -3.9004   10.493   46.884   13.672   28.150   12.756 18.73322 18.69864 
1 1 1  -22   15   62 o   37.754   9.9399   9.2552   6.8050   8.1253   9.3777   10.512   9.8901   36.308   13.799   39.201   14.311 -2.893616 19.87984 
1 1 1  -22   15   63 o   59.897   9.5501   27.394   7.5464   22.696   9.9920   33.632   11.513   53.818   13.673   65.975   13.336 -12.15676 19.10016 
1 1 1  -22   15   64 o   80.616   8.3162   49.240   8.5932   53.068   11.255   43.888   13.307   85.914   9.6669   75.318   13.535 10.59608 16.63237 
1 1 1  -22   15   65 o   58.738   9.9412   27.649   7.7879   29.597   10.344   25.100   11.834   61.888   12.758   55.588   15.250 6.299438 19.88233 
1 1 1  -22   15   66 o  113.563   8.3549   98.682   12.373   75.709   18.346  117.847   16.757   99.401   13.620  127.726   9.6811 -28.32504 16.70988 
1 1 1  -22   15   67 o   24.705   11.594  -7.8353   9.8347   0.0000   0.0000  -7.8353   9.8347  ?   ?    24.705   11.594      ?      ? 
1 1 1  -22   15   68 o   71.232   13.852   40.209   12.890   0.0000   0.0000   40.209   12.890  ?   ?    71.232   13.852      ?      ? 
1 1 1  -22   15   69 o   57.739   15.157   27.581   12.010   0.0000   0.0000   27.581   12.010  ?   ?    57.739   15.157      ?      ? 
1 1 1  -22   15   70 o   26.852   12.315  -4.4007   10.166   0.0000   0.0000  -4.4007   10.166  ?   ?    26.852   12.315      ?      ? 
1 1 1  -22   16    1 o   86.952   7.9124   47.811   8.6391   64.198   16.335   41.447   10.179   96.228   12.526   77.676   9.6703 18.55136 15.82486 
1 1 1  -22   16    2 o   87.450   7.9242   47.304   8.6860   68.038   16.594   39.479   10.194   99.110   12.355   75.789   9.9255 23.32071 15.84834 
1 1 1  -22   16    3 o  138.922   5.2065  131.753   9.7899  140.713   13.988  123.150   13.706  143.575   7.1893  134.268   7.5330 9.306870 10.41307 
1 1 1  -22   16    4 o  104.480   5.8073   74.716   8.2171   73.056   11.743   76.310   11.503  103.321   8.3869  105.640   8.0350 -2.318993 11.61465 
1 1 1  -22   16    5 o  167.064   4.9921  190.302   11.297  183.337   15.753  197.677   16.210  163.913   7.0920  170.214   7.0276 -6.300629 9.984154 
1 1 1  -22   16    6 o   79.122   6.8970   42.969   7.3852   46.028   10.558   40.039   10.334   81.904   9.5122   76.340   9.9897 5.563766 13.79401 
1 1 1  -22   16    7 o  125.878   5.5623  108.148   8.7816  107.922   10.577  108.648   15.756  125.870   6.2007  125.886   9.2361 -0.1609039E-01 11.12451 
1 1 1  -22   16    8 o   64.254   9.1097   28.294   7.9321   28.294   7.9321   0.0000   0.0000   64.254   9.1097  ?   ?       ?      ? 
1 1 1  -22   16    9 o   54.571   10.775   21.188   7.6857   21.188   7.6857   0.0000   0.0000   54.571   10.775  ?   ?       ?      ? 
1 1 1  -22   16   10 o  107.419   5.7770   76.443   7.9217   71.956   9.5741   86.183   14.105  102.719   6.8780  112.119   9.2838 -9.399925 11.55405 
1 1 1  -22   16   11 o  153.579   5.2687  155.552   10.181  146.981   12.149  175.757   18.654  146.909   6.1027  160.248   8.5902 -13.33923 10.53735 
1 1 1  -22   16   12 o  117.927   5.7590   96.038   8.6140   97.881   10.535   92.321   14.963  119.846   6.4868  116.009   9.5178 3.837112 11.51807 
1 1 1  -22   16   13 o   53.584   8.6631   21.599   6.2676   26.674   8.0255   13.665   10.035   62.358   9.4972   44.810   14.491 17.54796 17.32614 
1 1 1  -22   16   14 o   53.581   9.0452   19.954   6.3404   17.381   8.0230   24.233   10.347   49.194   12.115   57.968   13.435 -8.773712 18.09035 
1 1 1  -22   16   15 o  123.470   5.5886  101.610   8.8307   96.692   10.721  111.986   15.573  119.095   6.6429  127.845   8.9890 -8.750267 11.17722 
1 1 1  -22   16   16 f   78.955   8.0031   47.979   7.4764   58.525   9.4990   30.809   12.120   92.568   7.5724   65.341   14.102 27.22752 16.00613 
1 1 1  -22   16   17 o  162.379   5.2688  174.183   10.834  164.375   13.000  196.484   19.603  155.338   6.1756  169.421   8.5383 -14.08292 10.53758 
1 1 1  -22   16   18 o  112.483   5.7144   84.333   8.3642   79.122   10.326   94.277   14.264  107.678   7.0763  117.287   8.9745 -9.608932 11.42874 
1 1 1  -22   16   19 o  133.426   6.1069  121.662   10.993  119.281   14.801  124.592   16.417  132.032   8.2724  134.821   8.9858 -2.789185 12.21380 
1 1 1  -22   16   20 o   82.696   8.1907   48.661   8.6549   62.577   12.304   35.033   12.176   95.474   9.5102   69.917   13.338 25.55661 16.38143 
1 1 1  -22   16   21 o   70.441   8.0684   35.985   7.1294   39.422   9.0801   30.460   11.512   75.840   8.8351   65.042   13.503 10.79771 16.13671 
1 1 1  -22   16   22 o  150.358   5.3738  150.764   10.346  143.570   12.568  165.880   18.220  145.120   6.3911  155.596   8.6409 -10.47597 10.74759 
1 1 1  -22   16   23 o  124.982   5.9393  112.144   9.3636  123.885   11.702   91.247   15.612  134.795   6.4063  115.169   10.003 19.62584 11.87867 
1 1 1  -22   16   24 o   47.368   9.3772   14.922   6.4282   9.0971   8.3810   23.244   10.018   38.033   13.250   56.703   13.273 -18.66934 18.75440 
1 1 1  -22   16   25 o  120.007   6.8390   98.306   11.122   98.306   11.122   0.0000   0.0000  120.007   6.8390  ?   ?       ?      ? 
1 1 1  -22   16   26 o  113.478   7.1486   87.977   10.993   87.977   10.993   0.0000   0.0000  113.478   7.1486  ?   ?       ?      ? 
1 1 1  -22   16   27 o  216.259   5.4516  317.555   14.777  313.590   17.745  326.527   26.692  214.468   6.1055  218.049   9.0333 -3.581772 10.90312 
1 1 1  -22   16   28 o  236.974   5.5146  380.113   16.290  373.534   19.455  395.547   29.799  234.045   6.1341  239.902   9.1660 -5.856766 11.02913 
1 1 1  -22   16   29 o  189.627   5.6148  256.183   13.384  276.272   16.532  217.975   22.800  201.280   6.0611  177.974   9.4535 23.30560 11.22967 
1 1 1  -22   16   30 o  177.622   5.5574  220.189   12.509  228.268   15.364  204.300   21.546  182.915   6.1982  172.328   9.2261 10.58722 11.11482 
1 1 1  -22   16   31 o  196.744   5.8664  263.400   15.423  252.924   20.032  278.650   24.170  192.154   7.6929  201.334   8.8589 -9.179825 11.73284 
1 1 1  -22   16   32 o  127.500   6.4225  110.769   10.989   91.104   14.825  134.758   16.373  114.965   9.5155  140.034   8.6283 -25.06837 12.84494 
1 1 1  -22   16   33 o  156.200   6.0671  166.388   12.779  154.818   17.068  181.148   19.278  150.119   8.3901  162.282   8.7662 -12.16281 12.13429 
1 1 1  -22   16   34 o   70.570   9.1618   35.048   8.4503   47.792   12.676   24.853   11.337   82.914   11.281   58.226   14.439 24.68728 18.32353 
1 1 1  -22   16   35 o  145.042   9.1099  145.044   17.906   0.0000   0.0000  145.044   17.906  ?   ?   145.042   9.1099      ?      ? 
1 1 1  -22   16   36 o  160.873   6.0860  173.270   13.058  138.458   17.032  222.919   20.340  141.731   8.8677  180.015   8.3380 -38.28326 12.17200 
1 1 1  -22   16   37 o  136.478   5.5865  123.414   9.8512  113.754   12.024  143.139   17.181  128.876   6.8849  144.080   8.7996 -15.20341 11.17295 
1 1 1  -22   16   38 o   56.853   9.0152   24.183   6.8629   28.661   8.9309   17.725   10.725   64.241   10.259   49.465   14.828 14.77613 18.03047 
1 1 1  -22   16   39 o   69.114   8.3806   35.176   7.2892   38.647   9.2971   29.639   11.743   74.749   9.1782   63.478   14.025 11.27133 16.76120 
1 1 1  -22   16   40 o  159.911   5.4937  170.754   11.185  161.441   13.496  191.173   19.984  153.528   6.4871  166.294   8.8680 -12.76628 10.98742 
1 1 1  -22   16   41 o   57.656   9.4432   25.629   7.3635   31.117   9.3623   16.728   11.923   66.812   10.341   48.501   15.804 18.31095 18.88646 
1 1 1  -22   16   42 o   31.740   14.491  -7.4511   13.864  -7.4511   13.864   0.0000   0.0000   31.740   14.491  ?   ?       ?      ? 
1 1 1  -22   16   43 o  175.552   6.0897  211.579   14.346  201.121   18.831  226.046   22.148  170.625   8.1441  180.479   9.0559 -9.854599 12.17932 
1 1 1  -22   16   44 o  124.840   8.6605  108.050   14.651  108.050   14.651   0.0000   0.0000  124.840   8.6605  ?   ?       ?      ? 
1 1 1  -22   16   45 o   34.168   13.106   6.0921   8.5083   6.0921   8.5083   0.0000   0.0000   34.168   13.106  ?   ?       ?      ? 
1 1 1  -22   16   46 o   57.179   9.4363   23.908   7.0515   22.158   9.0295   26.645   11.290   54.758   12.450   59.600   14.183 -4.841900 18.87250 
1 1 1  -22   16   47 o  151.316   5.7066  160.275   10.972  163.344   13.453  154.180   18.961  154.125   6.4413  148.506   9.4219 5.618835 11.41322 
1 1 1  -22   16   48 o   45.441   9.9068   14.547   6.6509   11.517   8.5825   19.102   10.523   40.470   13.419   50.412   14.577 -9.941490 19.81355 
1 1 1  -22   16   49 o  107.643   6.0677   74.954   8.4767   61.440   10.326  102.874   14.843   94.010   8.1056  121.276   9.0314 -27.26622 12.13538 
1 1 1  -22   16   50 o   41.697   9.6888   12.565   6.5429   15.948   8.4571   7.5203   10.326   46.197   12.975   37.197   14.393 8.999760 19.37770 
1 1 1  -22   16   51 o  100.131   7.2411   71.667   9.7213   81.016   13.526   61.679   13.981  107.331   9.2998   92.931   11.102 14.39980 14.48219 
1 1 1  -22   16   52 o   88.902   6.7934   53.442   7.9236   46.895   9.8265   65.611   13.397   81.721   8.8733   96.083   10.289 -14.36263 13.58685 
1 1 1  -22   16   53 o   70.353   8.5851   36.594   7.8904   37.870   10.496   34.937   11.965   72.782   10.642   67.924   13.474 4.858345 17.17018 
1 1 1  -22   16   54 o   42.407   8.9222   10.893   6.8670   24.826   9.6842  -3.1975   9.7390   57.201   12.812   27.613   12.421 29.58773 17.84443 
1 1 1  -22   16   55 o   88.346   7.2128   55.564   8.5281   54.071   11.160   57.661   13.222   87.264   9.4369   89.428   10.911 -2.164825 14.42555 
1 1 1  -22   16   56 o   38.498   9.9582   9.2301   7.4050   15.303   9.4529  -0.4162   11.914   44.800   14.016   32.196   14.150 12.60400 19.91650 
1 1 1  -22   16   57 o   57.797   13.313   25.817   10.212   25.817   10.212   0.0000   0.0000   57.797   13.313  ?   ?       ?      ? 
1 1 1  -22   16   58 o  110.373   6.6573   83.035   9.7229   67.634   12.278  108.927   15.921   97.348   9.3075  123.397   9.5209 -26.04849 13.31456 
1 1 1  -22   16   59 o   69.405   8.8416   36.456   8.0154   37.161   10.587   35.510   12.270   71.372   10.946   67.438   13.888 3.934509 17.68321 
1 1 1  -22   16   60 o   41.256   10.315   11.938   7.1687   8.9422   9.3642   16.179   11.142   36.939   13.844   45.572   15.294 -8.633774 20.62947 
1 1 1  -22   16   61 o   39.402   10.207   10.844   7.2696   13.758   9.6761   7.0673   11.015   42.438   14.252   36.366   14.614 6.072300 20.41338 
1 1 1  -22   16   62 o   49.827   10.952   20.528   8.7085   11.578   13.405   27.065   11.455   41.732   16.328   57.923   14.599 -16.19101 21.90303 
1 1 1  -22   16   63 f   41.308   10.696   12.254   8.1976   5.4630   12.686   17.124   10.741   36.356   15.254   46.261   14.996 -9.904652 21.39125 
1 1 1  -22   16   64 o   20.651   10.066 -14.4949   9.1262   0.0000   0.0000 -14.4949   9.1262  ?   ?    20.651   10.066      ?      ? 
1 1 1  -22   16   65 o   27.067   12.312  -3.4812   9.8921   0.0000   0.0000  -3.4812   9.8921  ?   ?    27.067   12.312      ?      ? 
1 1 1  -22   16   66 o   54.012   15.449   24.445   11.877   0.0000   0.0000   24.445   11.877  ?   ?    54.012   15.449      ?      ? 
1 1 1  -22   16   67 o   41.148   15.645   12.451   12.058   0.0000   0.0000   12.451   12.058  ?   ?    41.148   15.645      ?      ? 
1 1 1  -22   16   68 f   90.380   12.610   63.122   15.445   0.0000   0.0000   63.122   15.445  ?   ?    90.380   12.610      ?      ? 
1 1 1  -22   17    1 o   78.223   6.8949   42.500   7.2710   45.633   10.061   39.075   10.520   81.351   9.1263   75.095   10.338 6.256447 13.78974 
1 1 1  -22   17    2 f   79.916   6.7571   44.253   7.2745   49.760   10.297   38.767   10.278   84.990   8.9407   74.842   10.134 10.14821 13.51426 
1 1 1  -22   17    3 o  152.817   5.1861  159.900   10.734  157.421   14.894  162.579   15.483  151.605   7.2498  154.030   7.4177 -2.425171 10.37214 
1 1 1  -22   17    4 o  148.242   7.5887  164.348   12.982  178.114   15.263  128.351   24.682  161.333   6.9814  135.152   13.476 26.18149 15.17730 
1 1 1  -22   17    5 o  104.243   9.2935   83.276   10.511   89.547   12.198   65.201   20.710  114.246   7.8791   94.240   16.834 20.00623 18.58710 
1 1 1  -22   17    6 o  129.159   6.2020  115.258   10.527  116.831   13.404  112.727   17.004  130.563   7.5757  127.756   9.8218 2.806984 12.40398 
1 1 1  -22   17    7 o   72.890   7.4728   34.771   6.9801   31.005   8.4080   43.121   12.520   67.077   9.2498   78.703   11.739 -11.62596 14.94557 
1 1 1  -22   17    8 o   60.086   8.9198   29.524   6.7913   36.624   8.3029   15.171   11.805   73.013   8.3917   47.158   15.743 25.85464 17.83951 
1 1 1  -22   17    9 o   49.967   9.4873   17.785   6.2952   17.241   7.7008   18.883   10.930   48.832   11.774   51.101   14.879 -2.269356 18.97456 
1 1 1  -22   17   10 o   58.234   9.0325   23.488   6.6772   20.789   8.2262   28.699   11.432   53.696   11.641   62.771   13.814 -9.074879 18.06493 
1 1 1  -22   17   11 o  121.425   5.8389  102.105   8.9328  103.665   10.852   98.828   15.732  123.181   6.5010  119.669   9.7010 3.511894 11.67786 
1 1 1  -22   17   12 o   59.422   8.8120   23.972   6.7347   18.401   8.4525   33.659   11.145   50.379   12.452   68.465   12.472 -18.08590 17.62407 
1 1 1  -22   17   13 o   50.761   9.4002   18.196   6.4665   15.577   8.3567   22.106   10.209   46.469   12.843   55.053   13.730 -8.584179 18.80045 
1 1 1  -22   17   14 o   55.615   8.8802   23.868   6.6965   30.532   8.5795   13.479   10.712   66.533   9.5156   44.696   14.996 21.83780 17.76031 
1 1 1  -22   17   15 o   59.548   8.8822   26.193   6.8533   29.079   8.6975   21.466   11.130   64.882   9.8921   54.214   14.755 10.66842 17.76432 
1 1 1  -22   17   16 o  123.018   6.3996  104.034   10.631  102.061   14.382  106.411   15.784  121.808   8.7127  124.229   9.3759 -2.421494 12.79918 
1 1 1  -22   17   17 o  112.899   6.6655   88.800   10.090   98.887   13.897   77.556   14.673  119.925   8.5515  105.874   10.227 14.05013 13.33091 
1 1 1  -22   17   18 o  155.812   5.4844  163.553   10.822  158.407   13.055  174.855   19.348  152.281   6.3265  159.343   8.9604 -7.062668 10.96875 
1 1 1  -22   17   19 f  140.729   5.6190  135.219   10.062  133.855   12.254  138.045   17.632  139.952   6.4610  141.507   9.1949 -1.555191 11.23796 
1 1 1  -22   17   20 o   74.659   7.3830   37.608   7.2649   34.530   9.1142   42.972   12.031   70.722   9.5100   78.596   11.296 -7.873909 14.76592 
1 1 1  -22   17   21 o   79.976   7.3781   45.576   7.6556   49.525   9.8020   39.399   12.259   84.843   8.5253   75.109   12.044 9.734818 14.75624 
1 1 1  -22   17   22 o  130.419   6.7426  116.377   11.917  116.377   11.917   0.0000   0.0000  130.419   6.7426  ?   ?       ?      ? 
1 1 1  -22   17   23 o  102.813   7.4434   72.492   10.371   72.492   10.371   0.0000   0.0000  102.813   7.4434  ?   ?       ?      ? 
1 1 1  -22   17   24 o   30.635   8.9468   1.0730   6.0468  -2.2345   7.8102   6.0220   9.5536   25.662   11.359   35.608   13.825 -9.945860 17.89352 
1 1 1  -22   17   25 o   88.975   6.7203   55.201   7.7172   56.322   9.6170   53.174   12.933   90.541   7.8381   87.409   10.919 3.132324 13.44059 
1 1 1  -22   17   26 o   68.307   7.7636   31.280   7.0157   27.172   8.8277   38.324   11.559   62.541   10.416   74.073   11.515 -11.53178 15.52725 
1 1 1  -22   17   27 o  119.661   5.7929   95.535   8.9548   89.088   10.947  108.570   15.567  113.986   7.0873  125.336   9.1651 -11.35046 11.58573 
1 1 1  -22   17   28 o   53.534   9.3807   20.568   6.6986   18.121   8.7090   24.113   10.482   49.796   12.827   57.272   13.691 -7.475670 18.76138 
1 1 1  -22   17   29 o   87.522   6.6946   49.597   7.6760   38.261   9.5497   70.290   12.903   74.313   9.4829  100.731   9.4524 -26.41808 13.38928 
1 1 1  -22   17   30 o   82.720   7.1327   49.465   7.5667   54.976   9.6449   40.644   12.203   89.349   7.9657   76.090   11.834 13.25887 14.26544 
1 1 1  -22   17   31 o   47.218   9.4851   14.543   6.4982   8.4434   8.2475   24.529   10.553   36.775   13.115   57.661   13.706 -20.88560 18.97017 
1 1 1  -22   17   32 o  110.588   6.0865   84.565   8.7133   84.627   10.839   84.452   14.650  110.973   7.2073  110.203   9.8100 0.7705841 12.17299 
1 1 1  -22   17   33 o   33.792   9.5654   4.2825   6.7353   1.4387   9.7265   6.9023   9.3358   31.519   13.298   36.064   13.753 -4.544697 19.13088 
1 1 1  -22   17   34 o   44.629   9.7664   14.251   6.4505   13.859   8.4591   14.795   9.9708   43.799   13.177   45.458   14.418 -1.658993 19.53282 
1 1 1  -22   17   35 o   52.006   9.4441   19.426   6.5617   17.116   8.3483   23.160   10.614   48.232   12.625   55.779   14.049 -7.546871 18.88817 
1 1 1  -22   17   36 o   82.622   6.9555   46.535   7.5721   43.149   9.5087   52.403   12.519   78.831   8.9011   86.412   10.691 -7.581940 13.91102 
1 1 1  -22   17   37 f  151.803   7.2381  165.032   14.524  137.199   21.757  187.405   19.506  139.330   11.523  164.276   8.7623 -24.94608 14.47615 
1 1 1  -22   17   38 o   86.533   6.9733   51.869   7.9373   50.246   10.018   54.605   13.009   85.039   8.6932   88.026   10.906 -2.986763 13.94663 
1 1 1  -22   17   39 o  134.275   6.6543  124.056   12.108  124.056   12.108   0.0000   0.0000  134.275   6.6543  ?   ?       ?      ? 
1 1 1  -22   17   40 o   76.196   7.3655   38.498   7.3423   32.130   9.0519   50.746   12.554   67.673   9.8705   84.719   10.935 -17.04563 14.73094 
1 1 1  -22   17   41 o   64.703   8.6258   32.910   7.0298   40.722   9.0863   21.263   11.095   76.418   8.7743   52.987   14.854 23.43019 17.25163 
1 1 1  -22   17   42 o   68.747   7.6724   32.748   7.0094   29.846   8.9288   37.408   11.316   65.066   10.126   72.428   11.529 -7.361870 15.34471 
1 1 1  -22   17   43 o   25.047   8.0020  -3.5273   5.7725  -2.6305   7.7356  -4.6543   8.6715   24.919   11.150   25.175   11.481 -0.2561340 16.00393 
1 1 1  -22   17   44 o   56.457   9.0542   23.809   6.6188   23.569   8.4013   24.200   10.747   56.554   11.357   56.361   14.105 0.1935120 18.10842 
1 1 1  -22   17   45 o   58.736   8.7279   26.021   6.6995   28.377   8.6409   22.471   10.608   63.291   10.075   54.182   14.255 9.109604 17.45578 
1 1 1  -22   17   46 o   37.000   9.4364   8.7923   6.2618   12.056   8.2022   4.2329   9.6948   40.700   13.095   33.300   13.591 7.400795 18.87284 
1 1 1  -22   17   47 o  113.129   6.3894   89.802   9.6994   87.520   12.788   92.893   14.884  111.718   8.4467  114.539   9.5890 -2.821571 12.77874 
1 1 1  -22   17   48 o   66.577   10.137   37.463   9.1430   18.404   14.482   50.095   11.790   49.453   17.406   83.702   10.394 -34.24953 20.27330 
1 1 1  -22   17   49 o   50.210   9.8005   19.910   8.2841   1.5660   13.024   32.375   10.736   34.863   15.063   65.558   12.542 -30.69494 19.60090 
1 1 1  -22   17   50 o   37.735   9.8842   8.7941   6.9843   13.199   9.5224   3.6649   10.275   42.258   14.139   33.213   13.816 9.045090 19.76832 
1 1 1  -22   17   51 o  100.102   8.4050   73.282   11.319   74.940   17.119   71.994   15.087  100.672   12.548   99.533   11.186 1.139725 16.80998 
1 1 1  -22   17   52 o   51.213   17.248   20.983   14.171   20.983   14.171   0.0000   0.0000   51.213   17.248  ?   ?       ?      ? 
1 1 1  -22   17   53 o   48.970   14.290   18.868   10.071   18.868   10.071   0.0000   0.0000   48.970   14.290  ?   ?       ?      ? 
1 1 1  -22   17   54 o  105.251   8.6272   78.666   12.305   78.666   12.305   0.0000   0.0000  105.251   8.6272  ?   ?       ?      ? 
1 1 1  -22   17   55 o   30.909   9.2938   0.2184   6.8981  -4.7766   8.9444   7.5499   10.836   25.100   11.526   36.717   14.582 -11.61649 18.58762 
1 1 1  -22   17   56 o   36.726   9.8300   8.5063   6.9391   12.059   9.0880   3.5386   10.746   40.241   13.810   33.210   13.993 7.031078 19.65992 
1 1 1  -22   17   57 o   65.032   11.063   34.804   9.5969   33.378   14.473   35.922   12.821   63.048   16.681   67.016   14.536 -3.968452 22.12576 
1 1 1  -22   17   58 o   65.485   10.454   35.825   9.4747   22.332   14.035   47.123   12.843   51.610   17.163   79.359   11.942 -27.74977 20.90861 
1 1 1  -22   17   59 o   50.187   11.297   21.187   8.9615   14.662   13.908   25.820   11.718   44.322   16.814   56.051   15.092 -11.72940 22.59416 
1 1 1  -22   17   60 o   44.573   11.229   15.649   8.7006   11.583   13.192   18.779   11.575   41.274   16.185   47.873   15.570 -6.599335 22.45832 
1 1 1  -22   17   61 o   64.609   10.337   35.722   9.4320   19.243   14.031   49.306   12.740   48.159   17.114   81.059   11.598 -32.90039 20.67328 
1 1 1  -22   17   62 o   58.118   15.185   28.189   12.091   0.0000   0.0000   28.189   12.091  ?   ?    58.118   15.185      ?      ? 
1 1 1  -22   17   63 o  109.822   11.266   90.642   16.766   0.0000   0.0000   90.642   16.766  ?   ?   109.822   11.266      ?      ? 
1 1 1  -22   17   64 f   42.450   15.802   14.100   12.158   0.0000   0.0000   14.100   12.158  ?   ?    42.450   15.802      ?      ? 
1 1 1  -22   17   65 o   29.326   13.371  -3.0347   11.755   0.0000   0.0000  -3.0347   11.755  ?   ?    29.326   13.371      ?      ? 
1 1 1  -22   17   66 o   46.335   16.313   18.577   12.721   0.0000   0.0000   18.577   12.721  ?   ?    46.335   16.313      ?      ? 
1 1 1  -22   18    1 o   81.598   9.8907   45.367   8.8990   42.846   10.029   54.702   19.298   78.450   9.4337   84.747   17.387 -6.296692 19.78142 
1 1 1  -22   18    2 o   57.987   10.702   27.411   8.2594   31.208   9.4088   14.654   17.244   66.777   10.397   49.197   18.709 17.57929 21.40382 
1 1 1  -22   18    3 o  155.749   5.1283  167.820   10.742  190.561   15.158  144.873   15.226  166.577   6.7147  144.920   7.7530 21.65768 10.25651 
1 1 1  -22   18    4 o   59.076   8.6897   25.492   6.7340   21.919   9.3542   29.336   9.7019   54.523   12.867   63.629   11.682 -9.105762 17.37948 
1 1 1  -22   18    5 o   39.163   9.3489   9.6203   6.3417   15.696   8.7615   2.9344   9.1909   46.317   13.275   32.009   13.167 14.30851 18.69773 
1 1 1  -22   18    6 o   75.854   7.7021   39.596   7.7553   36.861   9.8783   43.991   12.521   72.697   10.027   79.012   11.694 -6.314743 15.40428 
1 1 1  -22   18    7 f   55.458   9.0337   21.279   6.1751   19.297   7.3092   26.220   11.542   51.605   10.799   59.311   14.485 -7.706852 18.06741 
1 1 1  -22   18    8 o   78.521   6.8965   41.175   6.8249   38.390   8.1435   47.747   12.510   74.576   8.0581   82.465   11.194 -7.889702 13.79295 
1 1 1  -22   18    9 o   77.078   6.8810   38.831   6.8158   33.982   8.2213   49.489   12.189   70.066   8.6586   84.089   10.697 -14.02248 13.76192 
1 1 1  -22   18   10 o   97.730   6.3363   67.732   7.6605   70.199   9.2340   62.287   13.720  101.129   6.7380   94.330   10.733 6.798698 12.67256 
1 1 1  -22   18   11 o  105.305   6.0183   75.628   7.8786   74.036   9.3862   79.423   14.495  103.870   6.6683  106.740   10.021 -2.869461 12.03660 
1 1 1  -22   18   12 o  101.254   6.7310   69.564   9.0991   61.754   11.704   81.497   14.468   94.339   9.1548  108.168   9.8699 -13.82969 13.46198 
1 1 1  -22   18   13 o   87.021   7.2067   52.319   8.4255   49.067   11.083   56.771   12.968   83.959   9.7414   90.083   10.623 -6.124390 14.41347 
1 1 1  -22   18   14 o   71.367   7.3557   35.142   6.7423   34.205   8.2622   37.010   11.665   70.290   8.6740   72.444   11.882 -2.153290 14.71147 
1 1 1  -22   18   15 o   56.463   8.7932   20.664   6.3653   14.000   7.7334   34.661   11.208   43.862   12.438   69.064   12.433 -25.20235 17.58650 
1 1 1  -22   18   16 o   73.859   7.1543   34.436   6.8073   26.029   8.2475   52.406   12.057   61.100   9.9610   86.619   10.272 -25.51943 14.30857 
1 1 1  -22   18   17 o   43.436   9.5263   12.467   6.1212   8.9366   7.7147   18.468   10.057   36.861   12.720   50.012   14.185 -13.15151 19.05267 
1 1 1  -22   18   18 o   57.499   8.7400   25.187   6.5408   29.125   8.2851   18.671   10.657   64.709   9.4481   50.289   14.707 14.42016 17.47997 
1 1 1  -22   18   19 o  156.424   6.1047  167.649   12.941  167.649   12.941   0.0000   0.0000  156.424   6.1047  ?   ?       ?      ? 
1 1 1  -22   18   20 o   77.419   8.2788   41.459   8.6856   41.459   8.6856   0.0000   0.0000   77.419   8.2788  ?   ?       ?      ? 
1 1 1  -22   18   21 o   97.269   6.4407   65.065   7.9942   63.733   9.7433   67.808   13.984   96.159   7.4771   98.380   10.489 -2.221275 12.88147 
1 1 1  -22   18   22 o   88.661   6.7485   53.464   7.6809   50.811   9.3599   58.932   13.440   85.729   8.0568   91.593   10.828 -5.863518 13.49692 
1 1 1  -22   18   23 o   89.810   6.7974   57.589   7.7214   60.338   9.5106   52.273   13.225   93.532   7.5036   86.088   11.336 7.443260 13.59472 
1 1 1  -22   18   24 o   81.981   6.9739   46.247   7.4005   44.571   9.1289   49.459   12.640   80.193   8.4004   83.770   11.134 -3.576508 13.94774 
1 1 1  -22   18   25 o   42.451   9.0010   12.969   6.4352   20.578   8.2642   1.2489   10.257   52.940   11.819   31.962   13.579 20.97790 18.00200 
1 1 1  -22   18   26 o  128.138   6.0661  120.797   9.6512  134.836   11.970   94.715   16.315  140.131   6.3035  116.144   10.366 23.98695 12.13221 
1 1 1  -22   18   27 o  100.788   6.2111   67.800   8.1365   61.235   9.9800   80.815   14.051   94.076   7.8283  107.501   9.6452 -13.42431 12.42225 
1 1 1  -22   18   28 o  129.679   5.6069  111.215   9.3188  101.326   11.256  132.761   16.614  121.289   6.8483  138.070   8.8797 -16.78138 11.21376 
1 1 1  -22   18   29 o   72.366   8.1960   39.275   7.3405   43.405   9.2731   32.343   12.013   78.973   8.6649   65.759   13.915 13.21402 16.39193 
1 1 1  -22   18   30 o   90.420   7.4071   56.526   8.9640   45.968   11.856   70.614   13.696   80.625   10.852  100.215   10.085 -19.58994 14.81426 
1 1 1  -22   18   31 o  175.621   5.5749  210.028   12.423  203.066   15.014  225.139   22.120  171.763   6.4505  179.480   9.0945 -7.717056 11.14984 
1 1 1  -22   18   32 o   99.793   8.2122   70.202   10.902   75.429   17.373   66.806   14.002  102.416   12.518   97.169   10.633 5.246918 16.42441 
1 1 1  -22   18   33 o   82.866   7.1282   45.286   7.7385   35.599   9.6011   63.248   13.074   71.076   9.9681   94.656   10.192 -23.57924 14.25639 
1 1 1  -22   18   34 o   54.439   9.3958   22.827   6.7769   24.788   8.5804   19.576   11.049   58.098   11.305   50.779   15.011 7.318409 18.79166 
1 1 1  -22   18   35 o  126.706   5.7790  107.453   9.3907   98.941   11.370  125.723   16.657  119.588   7.0159  133.824   9.1849 -14.23608 11.55795 
1 1 1  -22   18   36 o   46.013   12.914   15.877   8.3813   15.877   8.3813   0.0000   0.0000   46.013   12.914  ?   ?       ?      ? 
1 1 1  -22   18   37 o   25.043   11.198  -2.4920   7.7901  -2.4920   7.7901   0.0000   0.0000   25.043   11.198  ?   ?       ?      ? 
1 1 1  -22   18   38 o   68.423   8.8358   35.044   7.8677   38.042   10.475   31.163   11.918   73.025   10.585   63.821   14.151 9.204472 17.67168 
1 1 1  -22   18   39 o   57.117   9.6790   25.479   7.4522   29.782   10.011   20.133   11.160   63.195   12.132   51.040   15.085 12.15517 19.35808 
1 1 1  -22   18   40 o   97.744   6.7665   64.491   8.7368   49.790   11.104   88.381   14.155   83.720   9.7876  111.769   9.3458 -28.04919 13.53295 
1 1 1  -22   18   41 o   32.893   8.9553   3.2613   6.5185   12.061   8.7751  -7.5728   9.7368   40.726   13.572   25.061   11.687 15.66468 17.91064 
1 1 1  -22   18   42 o   45.279   10.142   15.343   6.9302   13.630   9.1621   17.633   10.595   42.744   13.849   47.813   14.819 -5.068932 20.28315 
1 1 1  -22   18   43 o  107.577   6.5902   80.220   9.4440   71.888   12.081   93.313   15.144  100.820   8.8423  114.334   9.7743 -13.51464 13.18040 
1 1 1  -22   18   44 o   87.384   7.3254   53.987   8.5811   48.594   11.178   61.728   13.391   82.329   10.019   92.440   10.690 -10.11121 14.65087 
1 1 1  -22   18   45 o   43.668   10.173   13.623   7.1778   8.3827   9.6364   20.154   10.758   36.792   13.987   50.545   14.775 -13.75330 20.34515 
1 1 1  -22   18   46 o   95.169   8.9539   68.483   11.167   61.985   17.579   72.879   14.459   90.065   14.403  100.273   10.641 -10.20782 17.90773 
1 1 1  -22   18   47 o   91.687   7.3183   57.735   8.8278   42.931   11.227   81.714   14.288   76.815   10.785  106.559   9.8947 -29.74319 14.63654 
1 1 1  -22   18   48 o   37.163   9.4952   7.0135   6.6890  -0.5896   8.8795   16.989   10.171   27.814   12.220   46.512   14.536 -18.69741 18.99046 
1 1 1  -22   18   49 o   44.869   10.064   15.806   7.0463   19.246   9.4445   11.488   10.582   49.412   13.652   40.326   14.790 9.086372 20.12780 
1 1 1  -22   18   50 o   42.774   10.223   13.399   7.0939   9.6198   9.4133   18.365   10.792   37.611   13.923   47.936   14.973 -10.32484 20.44577 
1 1 1  -22   18   51 o   98.768   12.062   72.903   16.144   72.903   16.144   0.0000   0.0000   98.768   12.062  ?   ?       ?      ? 
1 1 1  -22   18   52 o   53.373   17.076   24.035   13.962   24.035   13.962   0.0000   0.0000   53.373   17.076  ?   ?       ?      ? 
1 1 1  -22   18   53 o   86.960   9.9431   61.780   10.776   40.860   15.810   79.930   14.726   69.440   16.950  104.480   10.401 -35.04026 19.88623 
1 1 1  -22   18   54 o   44.919   11.394   15.785   8.7448   16.077   13.516   15.575   11.469   45.380   16.705   44.457   15.499 0.9230461 22.78763 
1 1 1  -22   18   55 o   66.798   11.134   37.061   9.8675   38.037   14.822   36.284   13.224   67.039   16.441   66.557   15.019 0.4822845 22.26768 
1 1 1  -22   18   56 o  104.088   8.8488   84.032   12.097   64.057   17.366  102.861   16.860   90.150   14.215  118.026   10.542 -27.87556 17.69762 
1 1 1  -22   18   57 o   46.292   10.756   16.805   8.9346   3.4130   13.389   27.555   11.996   35.175   15.235   57.409   15.186 -22.23468 21.51112 
1 1 1  -22   18   58 o   38.441   10.783   6.0560   8.8550   19.152   13.813  -3.0816   11.538   47.631   16.974   29.251   13.302 18.37992 21.56519 
1 1 1  -22   18   59 o   80.968   13.383   51.571   14.684   0.0000   0.0000   51.571   14.684  ?   ?    80.968   13.383      ?      ? 
1 1 1  -22   18   62 o   37.050   15.294   8.3500   12.452   0.0000   0.0000   8.3500   12.452  ?   ?    37.050   15.294      ?      ? 
1 1 1  -22   18   63 o   75.867   14.857   49.017   14.728   0.0000   0.0000   49.017   14.728  ?   ?    75.867   14.857      ?      ? 
1 1 1  -22   18   64 o   41.621   15.580   14.576   11.852   0.0000   0.0000   14.576   11.852  ?   ?    41.621   15.580      ?      ? 
1 1 1  -22   19    1 o   68.707   8.4157   32.982   7.5076   45.156   12.003   25.158   9.6224   79.470   11.145   57.943   12.613 21.52782 16.83135 
1 1 1  -22   19    2 o   39.891   10.080   10.622   6.8133   10.598   10.711   10.638   8.8302   40.484   14.875   39.298   13.606 1.185368 20.15911 
1 1 1  -22   19    3 o   84.528   7.7756   51.983   8.6394   45.620   13.417   56.489   11.292   79.416   12.467   89.640   9.2957 -10.22364 15.55115 
1 1 1  -22   19    4 o   63.624   9.2702   31.792   7.7132   21.301   11.942   39.301   10.103   52.676   15.614   74.573   9.9978 -21.89650 18.54031 
1 1 1  -22   19    5 o   34.901   9.2189   4.7954   6.8873  -8.0157   10.773   13.651   8.9568   26.642   12.380   43.160   13.663 -16.51845 18.43770 
1 1 1  -22   19    6 o   49.857   9.6291   19.983   6.8934   24.362   8.4718   11.403   11.858   57.572   11.262   42.142   15.622 15.43027 19.25810 
1 1 1  -22   19    7 f   42.932   9.5325   13.915   6.5997   18.515   8.1797   5.3349   11.171   49.797   12.214   36.067   14.639 13.73030 19.06508 
1 1 1  -22   19    8 o   58.159   9.5573   23.994   7.1264   20.039   8.7634   31.718   12.245   51.717   12.616   64.602   14.359 -12.88427 19.11455 
1 1 1  -22   19    9 o   79.941   9.3153   47.611   9.6518   37.417   13.741   57.537   13.560   70.030   14.936   89.851   11.137 -19.82179 18.63052 
1 1 1  -22   19   10 o   65.340   9.8471   33.181   9.1588   12.536   13.007   53.484   12.899   43.987   16.350   86.693   10.979 -42.70671 19.69424 
1 1 1  -22   19   11 o   26.227   8.3010  -3.6788   5.9755  -6.4749   7.6853   0.5955   9.5020   22.288   10.390   30.165   12.948 -7.876532 16.60197 
1 1 1  -22   19   12 o   71.651   8.7875   40.386   7.8019   50.228   10.182   26.392   12.142   84.720   8.8689   58.582   15.173 26.13856 17.57509 
1 1 1  -22   19   13 o   66.670   8.9566   35.525   7.5230   44.520   9.7150   22.052   11.890   79.723   8.9924   53.616   15.493 26.10666 17.91322 
1 1 1  -22   19   14 o   62.905   8.9079   28.908   7.2069   26.703   9.2505   32.314   11.496   60.163   11.768   65.647   13.376 -5.484135 17.81585 
1 1 1  -22   19   15 o   37.723   9.7501   7.6100   6.6052   3.0933   8.5335   14.360   10.432   30.927   12.701   44.519   14.797 -13.59184 19.50017 
1 1 1  -22   19   16 o   47.722   13.187   17.106   8.8114   17.106   8.8114   0.0000   0.0000   47.722   13.187  ?   ?       ?      ? 
1 1 1  -22   19   17 o   40.100   13.405   11.371   8.5594   11.371   8.5594   0.0000   0.0000   40.100   13.405  ?   ?       ?      ? 
1 1 1  -22   19   18 o   56.813   9.5710   24.084   7.1474   22.624   9.1936   26.314   11.364   54.948   12.614   58.678   14.399 -3.730206 19.14205 
1 1 1  -22   19   19 o   75.172   7.8755   39.630   7.8556   36.967   10.005   43.910   12.685   72.243   10.220   78.101   11.985 -5.858101 15.75098 
1 1 1  -22   19   20 o   39.996   8.9437   6.8744   6.5338  -4.1991   8.4968   22.897   10.221   25.118   11.420   54.873   13.768 -29.75412 17.88745 
1 1 1  -22   19   21 o   57.281   8.9624   26.783   7.5961   41.412   10.033   7.1310   11.628   76.604   9.6646   37.959   15.096 38.64490 17.92477 
1 1 1  -22   19   22 o   48.505   8.7404   16.876   7.3508   31.227   9.8333  -1.3001   11.067   66.116   10.975   30.894   13.606 35.22173 17.48080 
1 1 1  -22   19   23 o  105.518   6.7772   79.056   9.4314   80.725   12.121   76.494   15.015  107.461   8.3232  103.576   10.698 3.885605 13.55434 
1 1 1  -22   19   24 o  102.664   6.8644   75.469   9.2941   79.259   12.053   69.910   14.597  106.442   8.3561   98.886   10.893 7.555626 13.72888 
1 1 1  -22   19   25 o   55.993   9.8947   24.234   7.4577   25.683   9.8287   22.269   11.449   58.376   12.779   53.610   15.110 4.766598 19.78944 
1 1 1  -22   19   26 o   37.678   9.9413   8.5899   7.0115   12.111   9.3655   4.0994   10.576   41.195   14.021   34.161   14.097 7.033295 19.88252 
1 1 1  -22   19   27 o   70.345   13.226   37.304   12.145   0.0000   0.0000   37.304   12.145  ?   ?    70.345   13.226      ?      ? 
1 1 1  -22   19   28 o  104.059   6.9077   74.131   9.5336   57.031   12.327   99.581   15.039   89.458   10.169  118.660   9.3524 -29.20193 13.81543 
1 1 1  -22   19   29 o   50.820   10.289   19.948   7.3925   19.886   9.7062   20.034   11.408   50.861   13.752   50.779   15.309 0.8201981E-01 20.57874 
1 1 1  -22   19   30 o   87.168   7.4276   52.388   8.6057   42.612   11.011   67.737   13.796   77.096   10.539   97.239   10.470 -20.14214 14.85520 
1 1 1  -22   19   31 o   48.699   9.9986   18.624   7.3157   24.013   9.7333   11.626   11.091   56.047   13.058   41.351   15.146 14.69678 19.99722 
1 1 1  -22   19   32 o   86.883   7.7343   55.559   8.8106   59.979   11.452   49.149   13.791   91.988   9.1871   81.777   12.445 10.21056 15.46867 
1 1 1  -22   19   33 o   91.820   9.5352   60.029   11.864   60.029   11.864   0.0000   0.0000   91.820   9.5352  ?   ?       ?      ? 
1 1 1  -22   19   34 o  111.478   8.3287   87.545   12.582   87.545   12.582   0.0000   0.0000  111.478   8.3287  ?   ?       ?      ? 
1 1 1  -22   19   35 o   29.970   9.1041   0.9248   6.7075   3.1858   8.9767  -1.9332   10.093   31.166   12.935   28.774   12.815 2.392330 18.20824 
1 1 1  -22   19   36 o   60.025   9.4872   28.874   7.6916   35.435   10.116   19.880   11.843   69.972   10.668   50.078   15.692 19.89490 18.97446 
1 1 1  -22   19   37 o  127.510   6.3022  113.267   10.655  105.173   13.539  126.436   17.269  122.109   8.1819  132.911   9.5878 -10.80244 12.60436 
1 1 1  -22   19   38 o   54.997   9.6204   22.483   7.4715   12.521   9.8368   36.067   11.487   41.297   14.357   68.697   12.810 -27.40077 19.24081 
1 1 1  -22   19   39 o   76.142   8.6984   44.670   8.4485   50.590   11.200   36.854   12.869   83.839   9.8580   68.445   14.334 15.39441 17.39685 
1 1 1  -22   19   40 o   60.939   9.5097   30.137   7.8654   38.520   10.477   19.313   11.906   72.757   10.627   49.121   15.774 23.63622 19.01940 
1 1 1  -22   19   41 o  117.255   6.5772   98.141   10.214   96.613   13.101  100.511   16.310  116.762   8.2800  117.749   10.221 -0.9868317 13.15432 
1 1 1  -22   19   42 o   28.214   8.6401  -2.1670   6.6190   5.8188   9.1196 -11.0569   9.6219   33.487   13.353   22.942   10.969 10.54463 17.28021 
1 1 1  -22   19   43 o   71.399   13.138   39.504   12.244   0.0000   0.0000   39.504   12.244  ?   ?    71.399   13.138      ?      ? 
1 1 1  -22   19   44 o   43.522   11.124   14.314   8.3584   13.106   13.336   15.096   10.726   42.980   16.427   44.063   15.005 -1.082748 22.24835 
1 1 1  -22   19   45 o   62.364   10.420   32.659   9.2373   19.210   13.857   43.414   12.392   48.587   17.032   76.142   12.010 -27.55485 20.84016 
1 1 1  -22   19   46 o   37.144   10.380   8.1317   7.8863   3.3606   12.422   11.353   10.207   34.597   14.827   39.691   14.531 -5.094234 20.75994 
1 1 1  -22   19   47 o   40.227   10.195   9.4425   8.3650  -5.1288   12.513   21.217   11.248   29.643   13.620   50.810   15.175 -21.16739 20.39047 
1 1 1  -22   19   48 o   52.293   11.247   23.060   8.9847   16.444   13.161   28.835   12.296   45.561   16.527   59.025   15.260 -13.46448 22.49465 
1 1 1  -22   19   49 o   67.538   15.688   37.983   14.084   37.983   14.084   0.0000   0.0000   67.538   15.688  ?   ?       ?      ? 
1 1 1  -22   19   50 o   56.490   11.470   27.485   9.3145   24.113   13.923   30.217   12.532   52.802   17.068   60.178   15.326 -7.375950 22.93948 
1 1 1  -22   19   51 f   57.688   11.346   29.151   9.5813   20.277   14.327   36.332   12.887   48.839   17.300   66.537   14.686 -17.69747 22.69244 
1 1 1  -22   19   52 o   40.358   11.156   11.481   8.8086   10.344   13.623   12.297   11.547   40.033   16.195   40.684   15.348 -0.6513977 22.31214 
1 1 1  -22   19   53 o   47.549   11.659   19.392   9.2772   15.944   14.319   21.886   12.179   44.629   17.030   50.470   15.928 -5.840618 23.31733 
1 1 1  -22   19   54 o   74.527   10.724   46.589   10.510   43.359   16.051   49.014   13.905   69.975   17.077   79.079   12.976 -9.104546 21.44764 
1 1 1  -22   19   55 o   38.393   10.957   8.7225   8.7214   14.973   13.782   4.5470   11.264   43.253   16.658   33.534   14.238 9.719383 21.91327 
1 1 1  -22   19   56 o   44.554   11.068   16.535   9.1122   5.6370   14.050   24.448   11.972   36.337   15.673   52.771   15.631 -16.43430 22.13527 
1 1 1  -22   19   57 o   33.204   14.187   4.4384   11.313   0.0000   0.0000   4.4384   11.313  ?   ?    33.204   14.187      ?      ? 
1 1 1  -22   19   58 o   40.203   15.806   12.612   12.613   0.0000   0.0000   12.612   12.613  ?   ?    40.203   15.806      ?      ? 
1 1 1  -22   19   59 o   27.601   12.944  -6.4599   12.223   0.0000   0.0000  -6.4599   12.223  ?   ?    27.601   12.944      ?      ? 
1 1 1  -22   19   60 o   62.505   16.427   36.370   14.096   0.0000   0.0000   36.370   14.096  ?   ?    62.505   16.427      ?      ? 
1 1 1  -22   19   61 o   99.287   12.609   80.443   16.965   0.0000   0.0000   80.443   16.965  ?   ?    99.287   12.609      ?      ? 
1 1 1  -22   20    1 o   52.565   10.787   22.353   8.2717   25.950   11.029   17.729   12.505   57.404   14.246   47.726   16.201 9.678333 21.57370 
1 1 1  -22   20    2 o   46.140   10.771   16.409   7.7972   16.395   10.468   16.426   11.686   46.037   14.792   46.243   15.662 -0.2063293 21.54285 
1 1 1  -22   20    3 o   59.085   9.5913   27.452   7.5155   23.869   11.237   30.352   10.109   54.856   14.782   63.314   12.225 -8.457039 19.18259 
1 1 1  -22   20    4 o   74.965   8.6816   43.365   8.2631   33.649   12.474   50.960   11.030   65.512   14.440   84.417   9.6418 -18.90515 17.36329 
1 1 1  -22   20    5 o   43.387   15.791   13.472   12.029   0.0000   0.0000   13.472   12.029  ?   ?    43.387   15.791      ?      ? 
1 1 1  -22   20    6 o   56.720   11.217   25.459   9.3652   35.755   13.576   16.112   12.936   67.116   15.271   46.323   16.435 20.79367 22.43453 
1 1 1  -22   20    7 o  121.335   6.3031   97.064   9.7450   84.315   11.645  126.855   17.801  109.592   7.8411  133.078   9.8707 -23.48554 12.60612 
1 1 1  -22   20    8 o   70.225   8.5176   33.645   7.5655   27.654   9.1071   46.986   13.590   60.785   11.477   79.664   12.589 -18.87867 17.03515 
1 1 1  -22   20    9 o   39.002   9.8448   10.747   6.5983   12.967   8.0273   6.1204   11.586   41.510   12.905   36.494   14.871 5.016193 19.68964 
1 1 1  -22   20   10 o   47.696   8.8873   18.742   6.9130   27.062   8.4982   2.4671   11.886   61.358   10.221   34.034   14.542 27.32388 17.77453 
1 1 1  -22   20   11 o   50.873   10.041   20.191   6.9465   20.404   8.4839   19.756   12.100   51.719   12.287   50.027   15.885 1.692482 20.08217 
1 1 1  -22   20   12 o   36.898   13.109   9.3493   8.2325   9.3493   8.2325   0.0000   0.0000   36.898   13.109  ?   ?       ?      ? 
1 1 1  -22   20   13 o   45.532   13.206   15.918   8.6242   15.918   8.6242   0.0000   0.0000   45.532   13.206  ?   ?       ?      ? 
1 1 1  -22   20   14 o   67.412   8.6300   31.503   7.4775   24.604   9.2284   44.689   12.759   56.868   12.330   77.956   12.078 -21.08811 17.25999 
1 1 1  -22   20   15 o  111.139   6.5962   86.357   9.5508   82.274   11.857   93.899   16.117  108.136   8.0913  114.142   10.420 -6.005684 13.19237 
1 1 1  -22   20   16 o   27.903   8.7597  -1.4841   6.4691  -1.4849   8.2800  -1.4828   10.364   26.368   11.683   29.439   13.056 -3.070726 17.51940 
1 1 1  -22   20   17 o   32.006   9.4626   2.1649   6.7003  -0.7359   8.4202   7.1728   11.063   27.142   11.913   36.869   14.705 -9.726473 18.92520 
1 1 1  -22   20   18 o   58.952   9.6965   25.312   7.4238   19.799   9.2425   35.337   12.463   50.526   13.312   67.378   14.102 -16.85251 19.39303 
1 1 1  -22   20   19 o   50.411   10.223   19.623   7.1780   18.415   9.0711   21.647   11.740   48.729   13.345   52.092   15.490 -3.362820 20.44589 
1 1 1  -22   20   20 o   31.777   9.0770   3.1133   6.6038   9.1232   8.4486  -6.3248   10.588   36.699   13.253   26.855   12.407 9.844452 18.15404 
1 1 1  -22   20   21 o   31.375   9.0261  -0.4015   6.4629  -7.9176   8.2571   11.485   10.384   22.272   10.505   40.479   14.681 -18.20657 18.05217 
1 1 1  -22   20   22 o   62.318   10.807   30.986   9.0511   33.437   13.221   28.823   12.417   64.652   15.324   59.984   15.244 4.668140 21.61498 
1 1 1  -22   20   23 o   40.108   10.967   9.3328   8.3052   14.448   13.501   6.2188   10.534   44.777   16.655   35.439   14.274 9.338280 21.93467 
1 1 1  -22   20   24 o   39.666   10.835   9.2873   8.0454   13.451   13.233   6.8455   10.133   43.724   16.444   35.608   14.114 8.116444 21.67057 
1 1 1  -22   20   25 o   42.709   8.7396   9.7589   6.5175  -2.3128   8.4666   27.316   10.211   25.986   11.643   59.432   13.037 -33.44566 17.47923 
1 1 1  -22   20   26 o   64.748   9.1754   33.386   7.6670   38.680   9.9297   25.569   12.065   73.239   10.005   56.258   15.384 16.98172 18.35079 
1 1 1  -22   20   27 o   86.823   7.2228   53.944   8.3349   51.560   10.698   57.626   13.296   84.880   9.3004   88.765   11.053 -3.884949 14.44560 
1 1 1  -22   20   28 o   40.678   10.468   11.585   7.7642   5.8316   11.925   15.819   10.229   36.271   14.969   45.085   14.636 -8.813896 20.93509 
1 1 1  -22   20   29 o   47.629   10.384   17.324   8.4721   3.8678   12.585   28.475   11.457   35.415   15.044   59.844   14.319 -24.42879 20.76890 
1 1 1  -22   20   30 o   74.368   14.633   43.831   14.222   43.831   14.222   0.0000   0.0000   74.368   14.633  ?   ?       ?      ? 
1 1 1  -22   20   31 o   47.737   11.485   18.140   8.8712   18.690   13.008   17.663   12.130   48.301   16.523   47.173   15.957 1.128208 22.97047 
1 1 1  -22   20   32 o   39.776   10.628   10.423   8.1091   4.9535   12.141   14.828   10.896   35.659   14.941   43.893   15.118 -8.234158 21.25521 
1 1 1  -22   20   33 o   46.831   15.289   17.491   11.156   0.0000   0.0000   17.491   11.156  ?   ?    46.831   15.289      ?      ? 
1 1 1  -22   20   34 o   26.583   8.4712  -6.3850   7.1594 -20.8501   11.304   3.3035   9.2513   21.912   10.787   31.254   13.064 -9.342426 16.94233 
1 1 1  -22   20   35 o   33.430   9.8720   3.5078   7.7910  -4.1134   12.381   8.5040   10.025   30.111   13.727   36.749   14.192 -6.638083 19.74396 
1 1 1  -22   20   36 o   32.537   9.8479   0.1583   7.8030   9.1390   12.418  -5.7016   10.031   38.976   15.568   26.098   12.064 12.87741 19.69573 
1 1 1  -22   20   37 o   30.366   9.5467  -1.0967   7.7281   1.2014   12.220  -2.6285   9.9767   32.948   14.409   27.783   12.528 5.165112 19.09343 
1 1 1  -22   20   38 o   47.916   11.201   18.687   8.3743   19.029   13.125   18.453   10.876   48.168   16.593   47.663   15.052 0.5047493 22.40271 
1 1 1  -22   20   39 o   27.208   8.9057  -5.6227   7.4293  -4.2356   12.353  -6.4087   9.2989   29.869   13.653   24.547   11.439 5.321953 17.81148 
1 1 1  -22   20   40 o   40.718   14.971   12.244   10.851   0.0000   0.0000   12.244   10.851  ?   ?    40.718   14.971      ?      ? 
1 1 1  -22   20   41 o   36.185   10.443   6.6757   8.2900   1.1981   12.989   10.441   10.769   33.546   14.758   38.825   14.780 -5.279507 20.88613 
1 1 1  -22   20   42 o   34.303   9.7826   4.3463   7.8391  -7.8367   12.385   12.489   10.125   28.030   13.108   40.577   14.525 -12.54678 19.56520 
1 1 1  -22   20   43 o   37.058   10.001   7.8889   7.8763  -4.2438   12.567   15.738   10.108   29.932   13.715   44.184   14.559 -14.25163 20.00137 
1 1 1  -22   20   44 o   74.704   10.447   47.710   10.104   33.504   15.453   58.320   13.354   61.239   17.652   88.169   11.177 -26.92950 20.89331 
1 1 1  -22   20   45 o   42.510   10.664   13.673   8.7242   0.6600   13.923   22.085   11.194   33.827   15.060   51.194   15.102 -17.36670 21.32785 
1 1 1  -22   20   46 o   34.248   15.128   1.8107   13.780   1.8107   13.780   0.0000   0.0000   34.248   15.128  ?   ?       ?      ? 
1 1 1  -22   20   47 o   52.647   11.611   24.852   9.2450   21.011   15.232   27.092   11.633   48.772   17.766   56.522   14.955 -7.749691 23.22300 
1 1 1  -22   20   48 o   55.519   10.596   28.149   9.7229   7.5466   15.161   42.541   12.672   38.482   16.433   72.556   13.381 -34.07473 21.19144 
1 1 1  -22   20   49 o   71.100   11.100   42.762   10.335   51.057   15.973   36.790   13.554   76.967   15.843   65.233   15.552 11.73353 22.20060 
1 1 1  -22   20   50 o   39.852   10.943   8.6077   8.9142   22.520   14.125  -0.6016   11.492   49.579   17.205   30.124   13.527 19.45523 21.88584 
1 1 1  -22   20   51 o   49.841   11.460   20.061   9.3859   35.608   14.830   9.6713   12.123   62.006   17.097   37.676   15.264 24.33066 22.91924 
1 1 1  -22   20   52 o   23.576   8.0898 -15.0917   8.2107 -23.5031   12.712  -9.0704   10.755   22.432   11.116   24.720   11.757 -2.288094 16.17963 
1 1 1  -22   20   53 o   42.495   11.443   15.299   9.7486   6.0827   15.222   21.709   12.693   36.594   16.040   48.396   16.324 -11.80154 22.88566 
1 1 1  -22   20   54 o   34.604   14.735   6.4035   12.128   0.0000   0.0000   6.4035   12.128  ?   ?    34.604   14.735      ?      ? 
1 1 1  -22   20   55 o   46.097   16.172   20.032   12.495   0.0000   0.0000   20.032   12.495  ?   ?    46.097   16.172      ?      ? 
1 1 1  -22   20   56 o   35.974   14.985   8.9556   12.112   0.0000   0.0000   8.9556   12.112  ?   ?    35.974   14.985      ?      ? 
1 1 1  -22   20   57 o   29.745   13.483   0.2116   11.733   0.0000   0.0000   0.2116   11.733  ?   ?    29.745   13.483      ?      ? 
1 1 1  -22   20   58 o   39.933   15.801   14.580   12.679   0.0000   0.0000   14.580   12.679  ?   ?    39.933   15.801      ?      ? 
1 1 1  -22   21    2 o   49.093   11.238   19.355   8.4965   16.212   11.218   23.583   13.013   45.190   15.345   52.995   16.423 -7.805389 22.47620 
1 1 1  -22   21    3 o   31.994   9.6458   2.2648   7.3957  -0.4348   10.093   5.3948   10.868   29.376   12.963   34.613   14.288 -5.236370 19.29165 
1 1 1  -22   21    4 o   31.951   9.4610   2.0267   7.3138   8.5366   9.9885  -5.4976   10.739   36.699   14.168   27.203   12.542 9.496532 18.92201 
1 1 1  -22   21    5 o   46.865   10.687   17.068   7.8716   11.988   10.619   23.266   11.728   40.574   14.826   53.156   15.395 -12.58232 21.37302 
1 1 1  -22   21    6 o   56.287   10.825   26.515   8.6651   31.591   11.698   20.344   12.899   62.901   14.075   49.673   16.450 13.22820 21.64977 
1 1 1  -22   21    7 o   51.511   10.948   21.941   8.3651   25.082   11.403   18.281   12.309   55.471   14.867   47.551   16.074 7.919964 21.89568 
1 1 1  -22   21    8 o   48.536   15.331   19.127   11.282   19.127   11.282   0.0000   0.0000   48.536   15.331  ?   ?       ?      ? 
1 1 1  -22   21    9 o   48.907   15.497   19.477   11.520   19.477   11.520   0.0000   0.0000   48.907   15.497  ?   ?       ?      ? 
1 1 1  -22   21   10 o   67.266   10.191   35.417   9.2918   23.543   12.521   49.972   13.862   53.225   16.036   81.307   12.581 -28.08232 20.38249 
1 1 1  -22   21   11 o   38.257   10.579   9.1430   7.9946   10.901   11.034   7.2004   11.600   39.720   14.999   36.794   14.923 2.925854 21.15765 
1 1 1  -22   21   12 f   60.734   9.9964   29.016   8.9383   13.110   12.286   46.899   13.028   42.432   15.867   79.036   12.164 -36.60369 19.99290 
1 1 1  -22   21   13 o   44.876   10.688   14.366   8.3515   5.0853   11.486   24.777   12.165   35.003   14.588   54.750   15.626 -19.74683 21.37698 
1 1 1  -22   21   14 o   45.245   11.076   15.575   8.4595   10.446   11.609   21.383   12.353   39.613   15.279   50.877   16.039 -11.26350 22.15187 
1 1 1  -22   21   15 o   42.691   11.075   13.455   8.4539   16.069   11.945   10.833   11.966   45.215   15.815   40.167   15.507 5.048088 22.14900 
1 1 1  -22   21   16 o   59.377   10.670   28.805   9.2859   14.916   12.937   43.567   13.337   44.320   16.338   74.433   13.728 -30.11221 21.34041 
1 1 1  -22   21   17 o   33.866   9.9662   2.5101   7.9693   10.780   11.584  -4.9220   10.981   39.879   15.293   27.853   12.783 12.02616 19.93231 
1 1 1  -22   21   18 o   37.332   10.364   6.8178   8.2380  -1.7499   11.779   15.022   11.526   30.656   13.735   44.008   15.524 -13.35183 20.72801 
1 1 1  -22   21   19 f   36.714   10.041   3.8833   7.9099   18.033   12.146  -6.5362   10.423   47.221   15.968   26.206   12.178 21.01443 20.08163 
1 1 1  -22   21   20 o   87.715   11.764   57.533   13.983   0.0000   0.0000   57.533   13.983  ?   ?    87.715   11.764      ?      ? 
1 1 1  -22   21   21 f   47.449   11.169   17.567   8.3859   23.341   13.038   13.492   10.952   52.697   16.457   42.200   15.106 10.49741 22.33867 
1 1 1  -22   21   22 o   54.991   11.091   25.385   8.7461   21.968   12.977   28.229   11.839   51.219   16.470   58.764   14.859 -7.544407 22.18204 
1 1 1  -22   21   23 o   38.505   10.672   9.1873   8.0361   11.843   12.374   7.2503   10.568   41.145   15.800   35.865   14.350 5.279572 21.34325 
1 1 1  -22   21   24 o   37.022   10.240   5.4657   7.9797   16.731   12.187  -2.9888   10.558   45.739   15.976   28.305   12.814 17.43408 20.47950 
1 1 1  -22   21   25 o   36.473   10.335   6.4806   7.8318   12.673   12.065   1.9705   10.296   41.698   15.698   31.248   13.448 10.44998 20.67004 
1 1 1  -22   21   26 o   38.757   15.473   9.2572   12.260   9.2572   12.260   0.0000   0.0000   38.757   15.473  ?   ?       ?      ? 
1 1 1  -22   21   27 o   37.181   15.200   7.4407   12.153   7.4407   12.153   0.0000   0.0000   37.181   15.200  ?   ?       ?      ? 
1 1 1  -22   21   28 o   37.968   10.386   9.3684   7.8141   4.1698   12.289   12.897   10.125   34.825   14.831   41.111   14.545 -6.286327 20.77286 
1 1 1  -22   21   29 o   65.747   9.8007   37.538   9.3914   12.178   13.828   59.250   12.795   41.908   16.527   89.585   10.540 -47.67655 19.60147 
1 1 1  -22   21   30 f   32.058   9.8304   2.0129   7.7422   1.8247   12.446   2.1318   9.8884   33.336   14.561   30.780   13.211 2.556414 19.66079 
1 1 1  -22   21   31 o   33.478   9.9464   1.6355   7.5554   11.782   12.738  -3.8716   9.3843   40.944   15.946   26.012   11.894 14.93122 19.89284 
1 1 1  -22   21   32 o   50.790   10.931   22.129   8.3723   17.108   13.185   25.522   10.838   45.812   16.554   55.767   14.279 -9.955353 21.86146 
1 1 1  -22   21   33 o   31.939   9.7363   0.4607   7.6405   8.5076   12.252  -4.6601   9.7738   37.812   15.336   26.066   11.999 11.74576 19.47253 
1 1 1  -22   21   34 o   29.789   9.4158  -1.2870   7.8722  -6.9610   12.553   2.3911   10.107   28.503   13.285   31.075   13.347 -2.572355 18.83167 
1 1 1  -22   21   35 o   49.197   10.425   20.730   8.7742   4.9216   13.814   31.422   11.360   36.259   15.590   62.135   13.846 -25.87597 20.85060 
1 1 1  -22   21   36 o   34.084   13.845   6.3345   10.001   0.0000   0.0000   6.3345   10.001  ?   ?    34.084   13.845      ?      ? 
1 1 1  -22   21   37 o   53.733   15.485   24.804   11.892   0.0000   0.0000   24.804   11.892  ?   ?    53.733   15.485      ?      ? 
1 1 1  -22   21   38 o   42.855   10.009   12.780   8.6885  -7.7261   13.590   26.954   11.299   29.148   13.663   56.561   14.631 -27.41278 20.01855 
1 1 1  -22   21   39 o   38.158   10.735   6.3084   8.5766   19.699   13.967  -1.7981   10.867   47.422   17.050   28.893   13.047 18.52892 21.46963 
1 1 1  -22   21   40 o   60.082   10.592   33.366   10.037   12.732   15.672   47.714   13.069   41.972   17.222   78.191   12.334 -36.21830 21.18321 
1 1 1  -22   21   41 o   41.525   11.157   10.941   8.7069   23.586   14.537   3.8671   10.873   50.563   17.460   32.486   13.895 18.07712 22.31432 
1 1 1  -22   21   42 o   44.224   17.054   16.649   14.459   16.649   14.459   0.0000   0.0000   44.224   17.054  ?   ?       ?      ? 
1 1 1  -22   21   43 o   54.236   18.325   28.758   15.997   28.758   15.997   0.0000   0.0000   54.236   18.325  ?   ?       ?      ? 
1 1 1  -22   21   44 o   44.128   11.648   16.986   9.1594   16.910   15.487   17.027   11.359   44.106   17.459   44.151   15.423 -0.4536819E-01 23.29595 
1 1 1  -22   21   45 o   36.412   10.957   7.3786   9.1346   9.0116   15.410   6.4939   11.342   38.464   16.500   34.359   14.421 4.104958 21.91340 
1 1 1  -22   21   46 o   40.410   9.7803   9.8978   9.1022 -20.5814   15.214   26.889   11.359   25.867   12.690   54.953   14.885 -29.08598 19.56063 
1 1 1  -22   21   47 o   35.840   10.478   7.0303   9.2273  -8.0459   15.565   15.200   11.458   30.035   14.243   41.644   15.372 -11.60839 20.95596 
1 1 1  -22   21   48 o   49.755   11.850   21.007   9.9720   39.796   16.196   9.5352   12.655   62.667   18.074   36.844   15.330 25.82243 23.69999 
1 1 1  -22   21   49 o   37.385   10.993   6.2041   9.2073   22.174   15.542  -2.4304   11.429   46.590   17.751   28.180   12.973 18.41047 21.98627 
1 1 1  -22   21   50 o   31.350   10.116  -2.6682   9.0504   10.806   15.548  -9.5729   11.130   38.252   16.493   24.448   11.717 13.80472 20.23182 
1 1 1  -22   21   51 o   28.404   13.007  -1.1430   11.282   0.0000   0.0000  -1.1430   11.282  ?   ?    28.404   13.007      ?      ? 
1 1 1  -22   21   52 o   32.422   14.137   5.3368   11.685   0.0000   0.0000   5.3368   11.685  ?   ?    32.422   14.137      ?      ? 
1 1 1  -22   21   53 o   48.223   16.468   24.425   12.921   0.0000   0.0000   24.425   12.921  ?   ?    48.223   16.468      ?      ? 
1 1 1  -22   21   54 o   28.501   13.084  -0.2852   11.515   0.0000   0.0000  -0.2852   11.515  ?   ?    28.501   13.084      ?      ? 
1 1 1  -22   22    9 o   48.866   10.991   20.337   8.4149   15.130   12.187   25.082   11.633   43.397   15.879   54.335   15.202 -10.93775 21.98287 
1 1 1  -22   22   10 f   47.558   11.398   18.974   8.6658   21.585   13.390   17.092   11.367   49.767   16.766   45.349   15.447 4.417789 22.79678 
1 1 1  -22   22   11 o   30.322   9.2831  -5.3364   7.5525   11.317   12.072 -16.0471   9.6812   39.844   15.521   20.801   10.188 19.04293 18.56630 
1 1 1  -22   22   12 o   41.687   9.0856   9.5142   8.1090 -16.1879   12.537   28.000   10.632   24.754   12.005   58.620   13.641 -33.86584 18.17110 
1 1 1  -22   22   13 o   31.220   9.5363   1.1573   7.7600  -7.3604   12.248   6.8698   10.030   27.853   13.028   34.587   13.929 -6.734173 19.07258 
1 1 1  -22   22   14 o   39.794   10.577   11.024   8.4391   1.0845   13.158   17.971   10.999   33.246   14.729   46.343   15.183 -13.09773 21.15339 
1 1 1  -22   22   15 o   35.557   10.338   6.3376   8.3289  -1.1922   13.428   11.046   10.618   32.225   14.532   38.888   14.707 -6.663601 20.67513 
1 1 1  -22   22   16 o   49.805   15.338   21.115   11.370   0.0000   0.0000   21.115   11.370  ?   ?    49.805   15.338      ?      ? 
1 1 1  -22   22   17 o   32.918   13.791   4.6401   10.342   0.0000   0.0000   4.6401   10.342  ?   ?    32.918   13.791      ?      ? 
1 1 1  -22   22   18 o   33.318   10.002   3.1021   7.7001   9.1984   12.551  -0.5775   9.7509   38.238   15.518   28.398   12.625 9.840042 20.00497 
1 1 1  -22   22   19 o   28.180   9.0267  -2.2233   7.3468  -6.1260   12.072   0.0726   9.2590   28.155   13.091   28.204   12.432 -0.4851532E-01 18.05346 
1 1 1  -22   22   20 o   27.288   8.9029  -4.4462   7.4265  -4.0511   12.116  -4.6839   9.3991   29.219   13.417   25.356   11.706 3.862867 17.80578 
1 1 1  -22   22   21 o   32.329   9.8613   3.0385   7.7843   1.7521   12.310   3.8956   10.048   32.697   14.376   31.961   13.502 0.7362251 19.72264 
1 1 1  -22   22   22 o   34.359   14.817   4.0336   12.553   4.0336   12.553   0.0000   0.0000   34.359   14.817  ?   ?       ?      ? 
1 1 1  -22   22   23 o   37.009   15.367   7.7181   12.680   7.7181   12.680   0.0000   0.0000   37.009   15.367  ?   ?       ?      ? 
1 1 1  -22   22   24 o   40.905   10.669   9.9131   8.3919   23.626   13.155   0.5032   10.897   51.467   16.586   30.343   13.425 21.12358 21.33887 
1 1 1  -22   22   25 o   38.226   10.382   6.4183   8.0811   21.158   13.036  -2.7813   10.299   48.880   16.542   27.573   12.550 21.30710 20.76393 
1 1 1  -22   22   26 o   28.586   9.0784  -2.3561   7.6782 -12.5707   12.597   3.6821   9.6853   25.912   12.431   31.261   13.234 -5.348223 18.15678 
1 1 1  -22   22   27 o   40.476   10.902   9.9131   8.3578   22.199   13.922   2.9897   10.451   49.491   17.087   31.461   13.544 18.02952 21.80325 
1 1 1  -22   22   28 f   31.898   9.8718   2.4742   7.8678   0.6019   13.488   3.4399   9.6865   32.815   14.700   30.981   13.180 1.833935 19.74354 
1 1 1  -22   22   29 f   43.857   11.176   13.468   8.5623   27.058   14.410   6.0514   10.645   53.819   17.361   33.896   14.078 19.92355 22.35185 
1 1 1  -22   22   30 f   47.681   11.393   18.200   8.9786   30.894   14.375   10.080   11.497   57.612   17.143   37.751   15.012 19.86071 22.78661 
1 1 1  -22   22   31 o   39.579   11.101   10.795   8.5714   16.972   14.380   7.3908   10.675   44.271   17.025   34.887   14.252 9.383621 22.20294 
1 1 1  -22   22   32 o   45.018   11.526   17.734   8.8326   18.694   14.795   17.202   11.010   45.571   17.329   44.465   15.202 1.106098 23.05196 
1 1 1  -22   22   33 o   59.620   15.022   31.202   12.131   0.0000   0.0000   31.202   12.131  ?   ?    59.620   15.022      ?      ? 
1 1 1  -22   22   34 o   30.533   9.6279   0.3963   8.2573 -10.9018   14.946   5.3593   9.9062   28.704   13.709   32.363   13.523 -3.659061 19.25580 
1 1 1  -22   22   35 o   54.671   11.848   27.135   9.4347   35.356   15.320   22.112   11.975   60.276   17.635   49.066   15.826 11.21000 23.69525 
1 1 1  -22   22   36 o   30.300   9.1810  -0.7884   8.0841 -24.7138   14.276   10.504   9.8081   23.776   11.781   36.824   14.084 -13.04862 18.36209 
1 1 1  -22   22   37 o   35.190   10.620   7.0417   8.7153   4.9824   15.099   8.0706   10.673   35.514   15.753   34.866   14.248 0.6472397 21.24093 
1 1 1  -22   22   38 o   46.012   11.765   18.762   9.0245   26.932   15.558   14.620   11.079   51.132   18.037   40.892   15.111 10.24041 23.53010 
1 1 1  -22   22   39 o   45.992   17.692   21.190   15.532   21.190   15.532   0.0000   0.0000   45.992   17.692  ?   ?       ?      ? 
1 1 1  -22   22   40 o   33.679   15.198   2.9351   14.714   2.9351   14.714   0.0000   0.0000   33.679   15.198  ?   ?       ?      ? 
1 1 1  -22   22   41 o   49.868   11.425   25.578   9.6203   15.107   15.456   32.200   12.292   40.958   16.983   58.778   15.288 -17.81945 22.85037 
1 1 1  -22   22   42 o   28.309   9.2898  -2.8800   8.5260  -9.5203   14.320   0.7669   10.612   27.736   13.292   28.881   12.981 -1.145306 18.57961 
1 1 1  -22   22   43 o   40.531   10.761   14.580   9.4177  -1.8216   15.436   24.304   11.886   31.427   14.676   49.635   15.742 -18.20806 21.52207 
1 1 1  -22   22   44 o   44.339   10.947   19.981   9.4813   4.6004   15.645   28.908   11.919   34.186   15.524   54.492   15.438 -20.30661 21.89385 
1 1 1  -22   22   45 o   29.285   9.6398  -2.0352   8.7986   2.9050   14.864  -4.7001   10.917   32.696   14.957   25.873   12.165 6.822983 19.27957 
1 1 1  -22   22   46 o   30.656   9.9136   1.7780   9.0197   0.5407   14.931   2.4890   11.318   31.419   14.592   29.893   13.424 1.525854 19.82725 
1 1 1  -22   23   17 o   44.478   10.422   16.942   8.8910   0.2698   13.641   29.255   11.723   31.928   14.498   57.028   14.977 -25.10022 20.84468 
1 1 1  -22   23   18 o   42.701   16.950   16.406   14.633   16.406   14.633   0.0000   0.0000   42.701   16.950  ?   ?       ?      ? 
1 1 1  -22   23   19 o   30.212   13.984  -2.9349   13.541  -2.9349   13.541   0.0000   0.0000   30.212   13.984  ?   ?       ?      ? 
1 1 1  -22   23   20 o   36.897   10.237   9.4214   8.4854  -4.5603   14.128   17.311   10.613   29.984   14.015   43.810   14.925 -13.82609 20.47375 
1 1 1  -22   23   21 o   33.758   9.8344   5.4112   8.2333  -9.2889   13.723   13.677   10.291   27.663   13.191   39.852   14.590 -12.18923 19.66888 
1 1 1  -22   23   22 o   28.305   9.2797  -3.7053   8.0073   1.0182   13.578  -6.2241   9.9151   32.052   14.519   24.558   11.561 7.493879 18.55940 
1 1 1  -22   23   23 o   39.469   11.034   13.233   8.7312   10.453   14.509   14.811   10.932   38.065   16.160   40.872   15.027 -2.807396 22.06708 
1 1 1  -22   23   24 o   33.180   10.239   4.5804   8.3018   7.8541   14.097   2.8423   10.272   36.149   15.645   30.210   13.211 5.938602 20.47703 
1 1 1  -22   23   25 o   35.472   10.476   8.3501   8.6712   1.6612   14.166   12.358   10.966   32.626   14.799   38.318   14.830 -5.692123 20.95111 
1 1 1  -22   23   26 o   30.819   9.8659   0.4150   8.4131   5.2302   14.251  -2.1607   10.423   34.500   15.304   27.138   12.455 7.362022 19.73171 
1 1 1  -22   23   27 o   25.275   8.5992  -9.3196   7.9834  -8.1417   14.015  -9.8854   9.7135   28.065   13.368   22.486   10.821 5.578718 17.19833 
1 1 1  -22   23   28 o   45.021   11.053   20.278   8.9529   10.685   15.035   25.549   11.144   37.826   16.264   52.216   14.973 -14.39005 22.10679 
1 1 1  -22   23   29 o   32.337   13.753   5.9550   10.543   0.0000   0.0000   5.9550   10.543  ?   ?    32.337   13.753      ?      ? 
1 1 1  -22   23   30 o   30.500   13.334   3.6401   10.455   0.0000   0.0000   3.6401   10.455  ?   ?    30.500   13.334      ?      ? 
1 1 1  -22   23   31 o   36.218   10.658   10.142   8.9386   3.3115   14.868   14.008   11.186   33.267   15.118   39.170   15.026 -5.902851 21.31519 
1 1 1  -22   23   32 o   25.284   8.5819  -7.8882   7.9762 -10.2257   14.170  -6.8041   9.6501   27.060   13.034   23.509   11.167 3.551685 17.16383 
1 1 1  -22   23   33 o   36.616   10.816   7.5029   8.8526   22.349   15.043  -0.3627   10.949   45.072   17.391   28.160   12.865 16.91216 21.63189 
1 1 1  -22   23   34 o   42.950   11.151   19.219   9.3882   8.4687   15.433   25.535   11.829   35.658   15.867   50.242   15.672 -14.58423 22.30177 
1 1 1  -21    0    1 o  586.694   10.200  2335.76   81.042   0.0000   0.0000  2335.76   81.042  586.694   10.200  586.694   10.200 -0.000000 0.000000 
1 1 1  -21    0    2 o  438.855   8.3128  1306.87   49.397   0.0000   0.0000  1306.87   49.397  438.855   8.3128  438.855   8.3128 -0.000000 0.000000 
1 1 1  -21    0    3 o  379.920   7.6403  979.498   39.300   0.0000   0.0000  979.498   39.300  379.920   7.6403  379.920   7.6403 -0.000000 0.000000 
1 1 1  -21    0    4 o  945.554   15.241  6070.40  195.176   0.0000   0.0000  6070.40  195.176  945.554   15.241  945.554   15.241 -0.000000 0.000000 
1 1 1  -21    0    5 o  1067.53   17.038  7739.83  246.335   0.0000   0.0000  7739.83  246.335  1067.53   17.038  1067.53   17.038 -0.000000 0.000000 
1 1 1  -21    0    6 o  338.490   7.1459  777.746   32.689  743.441   45.295  815.034   47.224  330.688   10.129  346.292   10.083 -0.000000 0.000000 
1 1 1  -21    0    7 o  300.405   6.7767  613.265   27.513  636.958   39.405  590.725   38.433  306.088   9.5208  294.723   9.6463 -0.000000 0.000000 
1 1 1  -21    0    8 o  663.253   11.234  2989.77  100.842  2989.00  142.493  2990.54  142.733  663.169   15.876  663.338   15.899 -0.000000 0.000000 
1 1 1  -21    0    9 o  831.073   13.601  4696.49  152.990  4688.29  216.083  4704.73  216.639  830.345   19.227  831.800   19.242 -0.000000 0.000000 
1 1 1  -21    0   10 o  640.685   10.936  2783.26   94.707  2654.56  130.160  2928.05  138.062  624.964   15.390  656.406   15.541 -0.000000 0.000000 
1 1 1  -21    0   11 o  650.486   11.072  2870.82   97.389  2755.91  134.357  2998.03  141.367  636.779   15.591  664.193   15.726 -0.000000 0.000000 
1 1 1  -21    0   12 o  838.745   19.413  4783.79  220.388   0.0000   0.0000  4783.79  220.388  838.745   19.413  838.745   19.413 -0.000000 0.000000 
1 1 1  -21    0   13 o  701.325   16.668  3343.21  158.207   0.0000   0.0000  3343.21  158.207  701.325   16.668  701.325   16.668 -0.000000 0.000000 
1 1 1  -21    0   14 o  290.815   9.5696  575.179   37.621   0.0000   0.0000  575.179   37.621  290.815   9.5696  290.815   9.5696 -0.000000 0.000000 
1 1 1  -21    0   15 o  324.377   7.0930  715.355   31.110  706.463   43.896  724.329   44.098  322.342   10.071  326.412   9.9907 -0.000000 0.000000 
1 1 1  -21    0   16 o  1032.26   16.565  7248.50  231.383  7085.46  322.381  7421.71  332.294  1020.30   23.344  1044.23   23.509 -0.000000 0.000000 
1 1 1  -21    0   17 o  971.635   15.679  6423.33  206.187  6359.22  289.780  6489.07  293.439  966.722   22.146  976.547   22.200 -0.000000 0.000000 
1 1 1  -21    0   18 o  369.434   7.5945  927.397   37.940  902.856   53.167  952.861   54.159  364.438   10.787  374.430   10.693 -0.000000 0.000000 
1 1 1  -21    0   19 o  426.689   8.2461  1237.32   47.600  1231.09   67.332  1243.54   67.300  425.609   11.694  427.768   11.629 -0.000000 0.000000 
1 1 1  -21    0   20 o  562.324   9.9371  2148.84   75.614  2127.13  106.496  2170.91  107.379  559.453   14.067  565.194   14.039 -0.000000 0.000000 
1 1 1  -21    0   21 o  799.409   13.198  4345.79  142.800  4316.74  201.298  4375.21  202.607  796.715   18.668  802.102   18.663 -0.000000 0.000000 
1 1 1  -21    0   22 o  663.705   16.006  2994.49  143.768  2994.49  143.768   0.0000   0.0000  663.705   16.006  663.705   16.006 -0.000000 0.000000 
1 1 1  -21    0   23 o  568.896   14.208  2199.70  109.379  2199.70  109.379   0.0000   0.0000  568.896   14.208  568.896   14.208 -0.000000 0.000000 
1 1 1  -21    0   24 o  277.121   6.7846  522.526   25.408  516.167   35.911  528.900   35.954  275.420   9.6485  278.822   9.5409 -0.000000 0.000000 
1 1 1  -21    0   25 o  527.206   9.4961  1889.14   67.744  1884.03   95.853  1894.24   95.755  526.489   13.455  527.924   13.404 -0.000000 0.000000 
1 1 1  -21    0   26 o  385.024   7.8149  1007.40   40.691  1024.79   58.267  990.840   56.850  388.270   11.095  381.778   11.009 -0.000000 0.000000 
1 1 1  -21    0   27 o  229.410   6.5105  358.561   20.164  354.300   28.609  362.767   28.423  228.038   9.2930  230.782   9.1208 -0.000000 0.000000 
1 1 1  -21    0   28 o  151.072   6.7693  156.974   13.567  128.861   18.861  187.112   19.529  136.702   10.317  165.442   8.7669 -0.000000 0.000000 
1 1 1  -21    0   29 o  1126.82   18.018  8655.77  274.813  8622.61  387.880  8689.20  389.413  1124.65   25.480  1128.99   25.482 -0.000000 0.000000 
1 1 1  -21    0   30 o  638.128   11.012  2768.86   95.098  2776.97  134.997  2760.89  133.986  639.051   15.610  637.205   15.538 -0.000000 0.000000 
1 1 1  -21    0   31 o  653.892   11.229  2907.72   99.363  2916.86  141.162  2898.74  139.889  654.906   15.927  652.878   15.832 -0.000000 0.000000 
1 1 1  -21    0   32 o  860.767   14.141  5043.16  164.727  5110.17  235.388  4978.84  230.605  866.363   20.074  855.170   19.924 -0.000000 0.000000 
1 1 1  -21    0   33 f  1537.68   24.282 16201.16  505.399 16296.19  718.003 16107.83  711.525  1542.13   34.396  1533.23   34.284 -0.000000 0.000000 
1 1 1  -21    0   34 o  1265.64   28.465 10946.95  487.649   0.0000   0.0000 10946.95  487.649  1265.64   28.465  1265.64   28.465 -0.000000 0.000000 
1 1 1  -21    0   37 o  455.763   12.288  1412.70   75.766   0.0000   0.0000  1412.70   75.766  455.763   12.288  455.763   12.288 -0.000000 0.000000 
1 1 1  -21    0   38 o  530.967   9.6593  1917.98   69.396  1907.70   98.280  1928.20   98.004  529.537   13.717  532.398   13.604 -0.000000 0.000000 
1 1 1  -21    0   39 o  475.289   8.9854  1536.69   57.772  1541.94   82.438  1531.63   80.986  476.074   12.799  474.504   12.615 -0.000000 0.000000 
1 1 1  -21    0   40 o  197.117   6.7797  265.594   17.990  261.786   25.976  269.103   24.940  195.704   9.8517  198.530   9.3168 -0.000000 0.000000 
1 1 1  -21    0   41 f  329.685   7.4625  740.089   33.249  720.953   47.226  758.898   46.820  325.419   10.736  333.951   10.369 -0.000000 0.000000 
1 1 1  -21    0   42 o  407.735   8.2103  1131.30   45.275  1105.42   63.843  1157.49   64.215  403.017   11.712  412.453   11.509 -0.000000 0.000000 
1 1 1  -21    0   43 o  434.657   12.148  1285.91   71.428  1285.91   71.428   0.0000   0.0000  434.657   12.148  434.657   12.148 -0.000000 0.000000 
1 1 1  -21    0   44 o  528.826   13.722  1904.31   98.189  1904.31   98.189   0.0000   0.0000  528.826   13.722  528.826   13.722 -0.000000 0.000000 
1 1 1  -21    0   45 o  124.616   7.3845  106.805   12.220  117.483   18.275   98.170   16.435  130.305   10.506  118.926   10.380 -0.000000 0.000000 
1 1 1  -21    0   46 o  314.388   7.3364  671.766   31.142  702.413   45.402  644.536   42.796  321.155   10.457  307.621   10.292 -0.000000 0.000000 
1 1 1  -21    0   47 o  244.604   6.8933  408.439   22.737  398.451   32.738  417.746   31.603  241.651   10.037  247.557   9.4518 -0.000000 0.000000 
1 1 1  -21    0   48 o  111.487   7.9192   86.791   11.609   88.199   17.490   85.681   15.521  112.119   11.812  110.854   10.552 -0.000000 0.000000 
1 1 1  -21    0   49 o  386.388   8.0411  1016.83   42.002  1019.26   60.363  1014.55   58.481  386.806   11.539  385.969   11.202 -0.000000 0.000000 
1 1 1  -21    0   50 o  437.916   8.6132  1306.66   51.013  1301.74   72.826  1311.41   71.480  437.077   12.318  438.755   12.043 -0.000000 0.000000 
1 1 1  -21    0   51 o  132.664   7.3147  122.358   12.874  114.293   18.894  129.349   17.590  128.296   11.056  137.032   9.5800 -0.000000 0.000000 
1 1 1  -21    0   52 o  184.877   6.8811  233.075   17.065  244.429   25.488  223.851   22.974  188.916   10.020  180.838   9.4335 -0.000000 0.000000 
1 1 1  -21    0   53 o  235.442   6.9256  377.996   21.957  384.645   32.303  372.287   29.935  237.320   10.086  233.563   9.4935 -0.000000 0.000000 
1 1 1  -21    0   54 o  108.460   10.573   82.181   15.201   0.0000   0.0000   82.181   15.201  108.460   10.573  108.460   10.573 -0.000000 0.000000 
1 1 1  -21    0   55 o  205.536   9.4398  288.746   26.166   0.0000   0.0000  288.746   26.166  205.536   9.4398  205.536   9.4398 -0.000000 0.000000 
1 1 1  -21    0   56 o  352.952   7.7955  848.852   37.167  863.435   53.958  835.688   51.268  355.803   11.216  350.101   10.830 -0.000000 0.000000 
1 1 1  -21    0   57 o  177.958   7.0793  218.051   16.838  209.304   24.959  225.357   22.811  174.497   10.646  181.420   9.3347 -0.000000 0.000000 
1 1 1  -21    0   58 o  204.351   6.9926  284.464   19.174  299.255   28.773  272.650   25.716  209.073   10.211  199.630   9.5559 -0.000000 0.000000 
1 1 1  -21    0   59 o  340.858   7.7203  790.952   35.518  822.336   52.088  763.678   48.558  347.143   11.098  334.573   10.735 -0.000000 0.000000 
1 1 1  -21    0   60 o  371.967   11.528  944.452   57.983  944.452   57.983   0.0000   0.0000  371.967   11.528  371.967   11.528 -0.000000 0.000000 
1 1 1  -21    0   61 o  413.076   12.100  1165.17   67.603  1165.17   67.603   0.0000   0.0000  413.076   12.100  413.076   12.100 -0.000000 0.000000 
1 1 1  -21    0   62 o  355.272   7.9140  858.879   37.937  905.933   55.888  818.669   51.664  364.255   11.347  346.289   11.035 -0.000000 0.000000 
1 1 1  -21    0   63 o  337.377   7.7610  774.227   35.310  819.950   52.229  735.736   47.921  346.502   11.149  328.252   10.799 -0.000000 0.000000 
1 1 1  -21    0   64 o   61.648   13.191   36.306   10.770   18.296   17.138   48.058   13.845   42.690   22.412   80.606   13.920 -0.000000 0.000000 
1 1 1  -21    0   65 o   30.943   12.087   4.5910   9.4457 -14.9829   15.188   16.937   12.062   20.838   14.566   41.049   19.293 -0.000000 0.000000 
1 1 1  -21    0   66 o  139.373   7.6840  134.660   14.218  134.673   21.314  134.650   19.085  139.196   11.479  139.551   10.218 -0.000000 0.000000 
1 1 1  -21    0   67 o   44.378   14.526   19.635   9.5552   20.572   14.811   18.968   12.506   45.103   21.358   43.653   19.694 -0.000000 0.000000 
1 1 1  -21    0   68 o  128.987   7.8993  115.501   13.457  118.959   20.495  112.881   17.842  130.505   11.811  127.468   10.493 -0.000000 0.000000 
1 1 1  -21    0   69 o  259.619   7.2900  461.332   25.488  461.167   37.419  461.475   34.813  259.480   10.683  259.759   9.9226 -0.000000 0.000000 
1 1 1  -21    0   70 o  278.970   10.092  532.306   38.039   0.0000   0.0000  532.306   38.039  278.970   10.092  278.970   10.092 -0.000000 0.000000 
1 1 1  -21    0   71 o  127.737   10.507  113.484   17.904   0.0000   0.0000  113.484   17.904  127.737   10.507  127.737   10.507 -0.000000 0.000000 
1 1 1  -21    0   72 o  145.713   7.6887  146.650   14.867  152.441   22.674  142.282   19.690  148.077   11.457  143.349   10.257 -0.000000 0.000000 
1 1 1  -21    0   73 o  127.263   8.0695  111.737   13.546  126.020   20.864  101.331   17.809  134.262   11.670  120.265   11.148 -0.000000 0.000000 
1 1 1  -21    0   74 o  191.424   7.1978  251.838   18.471  257.757   27.556  247.008   24.891  193.353   10.589  189.496   9.7518 -0.000000 0.000000 
1 1 1  -21    0   75 o  126.196   12.157  112.185   20.348  112.185   20.348   0.0000   0.0000  126.196   12.157  126.196   12.157 -0.000000 0.000000 
1 1 1  -21    0   76 o  156.817   11.178  171.066   23.477  171.066   23.477   0.0000   0.0000  156.817   11.178  156.817   11.178 -0.000000 0.000000 
1 1 1  -21    0   77 o  113.057   8.6263   90.005   12.722   97.245   19.539   84.676   16.761  116.864   12.720  109.250   11.656 -0.000000 0.000000 
1 1 1  -21    0   78 o   37.829   13.854   14.820   9.1405   14.138   14.123   15.311   11.991   37.245   20.104   38.413   19.066 -0.000000 0.000000 
1 1 1  -21    0   79 o  114.234   8.3849   91.994   12.581   99.301   19.126   86.421   16.703  118.140   12.248  110.327   11.454 -0.000000 0.000000 
1 1 1  -21    0   80 o  206.256   7.2884  292.354   20.141  316.015   30.513  274.083   26.813  213.514   10.605  198.997   10.000 -0.000000 0.000000 
1 1 1  -21    0   81 o  198.342   7.2597  272.776   19.335  276.155   28.538  269.909   26.287  199.314   10.635  197.370   9.8849 -0.000000 0.000000 
1 1 1  -21    0   82 o   59.564   13.857   32.444   10.021   28.936   15.059   35.232   13.424   54.349   21.336   64.780   17.688 -0.000000 0.000000 
1 1 1  -21    0   83 o  115.450   8.3386   95.575   12.568   93.834   19.041   96.919   16.730  113.987   12.734  116.913   10.769 -0.000000 0.000000 
1 1 1  -21    0   84 o  110.731   11.101   87.609   16.274   0.0000   0.0000   87.609   16.274  110.731   11.101  110.731   11.101 -0.000000 0.000000 
1 1 1  -21    0   85 o  183.730   9.7506  235.608   24.121   0.0000   0.0000  235.608   24.121  183.730   9.7506  183.730   9.7506 -0.000000 0.000000 
1 1 1  -21    0   86 o  192.376   9.8647  258.841   25.562   0.0000   0.0000  258.841   25.562  192.376   9.8647  192.376   9.8647 -0.000000 0.000000 
1 1 1  -21    0   87 o   60.141   18.157   32.050   12.906   0.0000   0.0000   32.050   12.906   60.141   18.157   60.141   18.157 -0.000000 0.000000 
1 1 1  -21    1    1 o  911.144   10.424  5639.25  128.707  5653.61  182.514  5625.04  181.527  912.295   14.763  909.994   14.720 2.301575 20.84808 
1 1 1  -21    1    2 o  1060.72   11.973  7647.83  172.095  7717.25  245.025  7580.25  241.767  1065.46   16.970  1055.98   16.895 9.484253 23.94645 
1 1 1  -21    1    3 o  1074.61   12.121  7849.22  176.490  7754.45  247.730  7946.90  251.502  1068.03   17.116  1081.19   17.166 -13.16138 24.24111 
1 1 1  -21    1    4 o  780.288   9.1036  4132.97   96.261  4126.04  135.974  4139.93  136.295  779.633   12.870  780.943   12.879 -1.310059 18.20728 
1 1 1  -21    1    5 o  666.924   9.1764  3007.44   71.744  2995.68   82.728  3043.10  144.096  664.614   9.1854  669.235   15.889 -4.621399 18.35277 
1 1 1  -21    1    6 o  806.070   11.426  4373.69  116.862  4299.35  141.616  4532.38  206.895  795.823   13.131  816.317   18.703 -20.49420 22.85238 
1 1 1  -21    1    7 o  720.173   10.382  3517.41   95.459  3507.50  116.767  3537.37  165.758  718.927   11.985  721.420   16.955 -2.493652 20.76360 
1 1 1  -21    1    8 o  408.775   6.8867  1150.73   36.241  1192.09   45.177  1076.08   60.697  419.305   7.9508  398.245   11.247 21.06003 13.77342 
1 1 1  -21    1    9 o  337.162   6.1323  761.571   26.350  744.209   32.019  798.001   46.380  331.324   7.1313  342.999   9.9782 -11.67560 12.26458 
1 1 1  -21    1   10 o  429.853   5.7860  1252.55   33.700  1230.30   47.227  1275.64   48.102  425.965   8.1814  433.742   8.1837 -7.777069 11.57193 
1 1 1  -21    1   11 o  417.457   5.6820  1181.61   32.143  1176.29   45.422  1186.96   45.493  416.514   8.0474  418.400   8.0236 -1.886414 11.36397 
1 1 1  -21    1   12 o  332.542   5.0314  749.610   22.672  756.951   32.281  742.464   31.850  334.148   7.1290  330.936   7.1020 3.212341 10.06288 
1 1 1  -21    1   13 o  409.178   5.6230  1134.77   31.173  1159.23   44.611  1111.43   43.578  413.485   7.9616  404.872   7.9428 8.613800 11.24609 
1 1 1  -21    1   14 o  716.460   8.4626  3483.08   82.159  3518.93  116.968  3448.18  115.427  720.097   11.987  712.824   11.949 7.272522 16.92522 
1 1 1  -21    1   15 o  810.570   9.4118  4459.62  103.373  4517.10  147.436  4404.05  144.978  815.703   13.338  805.437   13.283 10.26611 18.82366 
1 1 1  -21    1   16 o  659.680   9.7122  2964.02   81.992  2926.41  141.057  2983.22  100.763  656.281   15.861  663.079   11.214 -6.797974 19.42446 
1 1 1  -21    1   17 o  780.924   11.189  4169.11  112.107  4063.58  191.214  4224.38  138.387  772.988   18.254  788.860   12.945 -15.87158 22.37858 
1 1 1  -21    1   18 o  1107.34   12.468  8337.58  187.093  8327.85  264.450  8347.33  264.728  1106.70   17.633  1107.99   17.631 -1.294067 24.93570 
1 1 1  -21    1   19 o  1037.81   14.409  7331.36  190.957  7335.86  330.940  7329.12  233.806  1037.22   23.545  1038.40   16.615 -1.172607 28.81712 
1 1 1  -21    1   20 o  928.090   13.007  5829.91  153.573  5944.46  269.434  5774.79  186.906  934.191   21.283  921.989   14.959 12.20209 26.01448 
1 1 1  -21    1   21 o  521.536   8.1157  1834.45   53.855  1878.95   94.581  1813.10   65.512  526.050   13.268  517.022   9.3504 9.027466 16.23149 
1 1 1  -21    1   22 o  478.276   6.2532  1551.36   40.528  1557.97   57.494  1544.83   57.139  479.288   8.8521  477.264   8.8346 2.023407 12.50639 
1 1 1  -21    1   23 o  404.938   5.6472  1111.92   30.989  1107.98   43.803  1115.86   43.846  404.220   7.9966  405.655   7.9762 -1.434906 11.29445 
1 1 1  -21    1   24 o  628.705   9.3897  2690.22   75.475  2702.39   92.619  2666.15  130.218  631.063   10.830  626.346   15.342 4.717346 18.77936 
1 1 1  -21    1   25 o  840.015   11.938  4770.88  127.490  4718.65  155.005  4880.09  224.146  833.482   13.724  846.549   19.539 -13.06616 23.87668 
1 1 1  -21    1   26 o  682.049   8.1632  3157.31   75.446  3123.40  106.059  3192.05  107.347  678.342   11.538  685.755   11.552 -7.412048 16.32647 
1 1 1  -21    1   27 o  508.290   6.5562  1752.33   45.155  1777.62   64.351  1727.80   63.379  511.903   9.2765  504.678   9.2672 7.224304 13.11234 
1 1 1  -21    1   28 o  487.124   6.3619  1609.51   41.995  1593.77   59.119  1625.54   59.665  484.720   9.0002  489.527   8.9941 -4.807098 12.72389 
1 1 1  -21    1   29 o  627.082   9.3417  2661.40   74.816  2642.36   91.447  2699.94  130.107  623.960   10.815  630.204   15.235 -6.244019 18.68331 
1 1 1  -21    1   30 o  720.732   12.103  3534.85  118.211  3504.69  166.641  3565.40  167.715  717.634   17.135  723.830   17.098 -6.195740 24.20691 
1 1 1  -21    1   31 o  724.336   10.540  3549.25   97.167  3619.36  170.324  3515.42  118.307  729.193   17.237  719.478   12.134 9.714539 21.07931 
1 1 1  -21    1   32 o  343.236   5.2589  798.691   24.457  779.996   34.244  818.153   34.940  339.137   7.4513  347.334   7.4232 -8.197327 10.51787 
1 1 1  -21    1   33 o  482.487   6.3580  1579.43   41.570  1567.14   58.585  1591.89   58.994  480.596   8.9955  484.377   8.9875 -3.780731 12.71590 
1 1 1  -21    1   34 f  785.609   9.2233  4194.29   98.189  4223.85  139.480  4165.24  138.250  788.351   13.056  782.867   13.031 5.483887 18.44664 
1 1 1  -21    1   35 o  666.499   9.8508  3020.09   84.013  3018.50  103.063  3023.24  145.045  666.636   11.409  666.361   16.062 0.2749634 19.70166 
1 1 1  -21    1   36 o  249.080   5.7961  424.346   18.657  432.619   23.252  409.395   31.260  252.568   6.7937  245.592   9.3928 6.975220 11.59221 
1 1 1  -21    1   37 o  593.718   9.0332  2392.00   68.441  2410.45  119.005  2382.88   83.661  595.086   14.757  592.350   10.422 2.736267 18.06644 
1 1 1  -21    1   38 f  608.114   9.2044  2516.42   71.597  2511.22  123.603  2519.05   87.833  607.260   15.020  608.967   10.643 -1.706909 18.40878 
1 1 1  -21    1   39 o  530.521   8.3458  1915.85   56.663  1905.59   97.647  1921.06   69.576  529.161   13.617  531.882   9.6529 -2.721375 16.69157 
1 1 1  -21    1   40 o  578.407   10.286  2278.13   80.608  2243.66  112.532  2314.47  115.521  573.931   14.469  582.884   14.625 -8.953003 20.57275 
1 1 1  -21    1   41 o  457.151   7.6577  1433.00   44.817  1459.73   55.279  1381.72   76.556  463.671   8.7977  450.630   12.537 13.04120 15.31548 
1 1 1  -21    1   42 o  464.354   7.6979  1464.98   45.529  1468.71   79.363  1463.15   55.585  464.528   12.607  464.180   8.8367 0.3475342 15.39585 
1 1 1  -21    1   43 o  562.219   8.7619  2147.45   62.752  2164.01  109.479  2139.35   76.580  563.389   14.340  561.048   10.072 2.340820 17.52372 
1 1 1  -21    1   44 o  451.493   7.5715  1382.83   43.536  1376.24   53.101  1396.34   76.038  450.137   8.7052  452.850   12.391 -2.712921 15.14296 
1 1 1  -21    1   45 f  209.291   4.7460  297.285   13.456  288.112   18.997  306.523   19.064  206.046   6.8035  212.536   6.6191 -6.490173 9.492101 
1 1 1  -21    1   46 o  453.975   6.1791  1399.88   38.009  1372.47   53.281  1428.30   54.237  449.448   8.7481  458.501   8.7292 -9.053009 12.35830 
1 1 1  -21    1   47 o  425.135   5.9497  1227.42   34.270  1254.62   49.054  1201.49   47.897  429.733   8.4236  420.538   8.4047 9.194305 11.89936 
1 1 1  -21    1   48 o  231.029   4.7914  362.237   14.999  368.606   21.381  356.066   21.047  233.029   6.7707  229.030   6.7813 3.998734 9.582738 
1 1 1  -21    1   49 o  297.997   5.0947  603.009   20.573  600.250   29.122  605.757   29.068  297.315   7.2281  298.680   7.1817 -1.365021 10.18936 
1 1 1  -21    1   50 o  392.558   5.7097  1046.99   30.372  1030.76   42.688  1063.63   43.221  389.476   8.0880  395.641   8.0615 -6.165253 11.41940 
1 1 1  -21    1   51 o  206.764   4.7959  290.264   13.431  277.693   18.877  303.153   19.113  202.223   6.8883  211.305   6.6748 -9.081467 9.591746 
1 1 1  -21    1   52 o  264.658   4.9426  475.709   17.726  477.618   25.119  473.816   25.019  265.186   6.9898  264.129   6.9899 1.057526 9.885152 
1 1 1  -21    1   53 o  357.784   5.4934  869.617   26.628  895.462   38.093  844.921   37.237  362.984   7.7442  352.585   7.7935 10.39920 10.98689 
1 1 1  -21    1   54 o  310.388   6.3045  658.473   25.330  665.661   31.563  645.466   42.456  312.976   7.4419  307.799   10.179 5.177612 12.60906 
1 1 1  -21    1   55 o  139.545   6.1531  135.468   11.035  122.653   18.365  142.708   13.804  134.163   10.102  144.927   7.0288 -10.76495 12.30630 
1 1 1  -21    1   56 o  270.579   5.0234  497.490   18.418  490.711   25.928  504.395   26.169  268.717   7.1202  272.442   7.0881 -3.724762 10.04680 
1 1 1  -21    1   57 f  332.612   5.3524  752.086   24.123  766.395   34.355  738.171   33.878  335.735   7.5512  329.489   7.5875 6.245575 10.70474 
1 1 1  -21    1   58 o  254.674   4.9714  440.837   17.157  445.064   24.317  436.647   24.209  255.891   7.0126  253.456   7.0485 2.435257 9.942710 
1 1 1  -21    1   59 o  221.607   4.9094  333.654   14.738  321.185   20.614  346.691   21.079  217.368   6.9983  225.845   6.8873 -8.477402 9.818871 
1 1 1  -21    1   60 f  322.992   7.7394  712.419   33.868  694.748   47.333  730.957   48.480  318.888   10.953  327.096   10.937 -8.208160 15.47883 
1 1 1  -21    1   61 o  202.664   6.2571  278.248   15.926  275.583   19.165  284.198   28.632  201.315   7.0250  204.013   10.356 -2.697525 12.51421 
1 1 1  -21    1   62 o  322.895   5.3456  709.344   23.388  724.112   33.312  694.989   32.844  326.213   7.5356  319.577   7.5839 6.636169 10.69114 
1 1 1  -21    1   63 o  251.426   5.0439  429.897   17.177  411.512   24.080  448.946   24.510  245.941   7.2250  256.910   7.0401 -10.96899 10.08782 
1 1 1  -21    1   64 o   80.225   7.7957   45.658   7.9084   31.020   11.115   60.666   11.254   66.123   12.868   94.326   8.8046 -28.20316 15.59148 
1 1 1  -21    1   65 o  141.961   5.3808  137.271   10.345  131.735   14.630  142.807   14.630  139.083   7.7623  144.838   7.4538 -5.755188 10.76160 
1 1 1  -21    1   66 o  217.212   5.0113  320.845   14.732  298.832   20.544  344.149   21.137  209.528   7.2353  224.896   6.9356 -15.36839 10.02257 
1 1 1  -21    1   67 o  205.329   5.0285  287.010   13.989  280.493   19.756  293.563   19.812  202.982   7.1823  207.676   7.0396 -4.694565 10.05697 
1 1 1  -21    1   68 f  239.540   5.0277  390.658   16.319  385.392   22.969  396.026   23.191  237.907   7.1244  241.172   7.0960 -3.264664 10.05537 
1 1 1  -21    1   69 o  263.017   5.1263  471.213   18.270  462.565   25.692  480.060   25.986  260.571   7.2758  265.463   7.2236 -4.892273 10.25268 
1 1 1  -21    1   70 o  191.818   6.8748  251.668   17.858  264.833   25.667  239.315   24.863  196.695   9.6294  186.942   9.8146 9.753159 13.74961 
1 1 1  -21    1   71 o  179.530   6.0572  213.049   14.107  245.121   24.354  196.853   17.307  189.184   9.4994  169.876   7.5180 19.30797 12.11442 
1 1 1  -21    1   72 o  215.327   5.0691  316.153   14.785  329.978   21.103  302.828   20.719  219.965   7.0797  210.688   7.2568 9.277679 10.13826 
1 1 1  -21    1   73 o  252.686   5.1254  435.857   17.550  439.672   24.905  432.093   24.735  253.786   7.2415  251.586   7.2552 2.200546 10.25072 
1 1 1  -21    1   74 f  139.675   5.4132  133.393   10.245  130.501   14.426  136.335   14.551  138.139   7.7064  141.210   7.6041 -3.070847 10.82642 
1 1 1  -21    1   75 o  111.655   9.1161   87.210   13.686  100.083   19.454   74.593   19.258  120.063   11.957  103.248   13.764 16.81456 18.23227 
1 1 1  -21    1   76 o  213.856   7.6851  316.735   22.267  308.200   31.179  325.619   31.811  210.899   10.909  216.813   10.827 -5.913818 15.37017 
1 1 1  -21    1   77 o  159.667   5.2396  174.651   11.331  182.663   16.197  166.972   15.858  163.273   7.3204  156.061   7.4984 7.212784 10.47924 
1 1 1  -21    1   78 o   96.674   6.2642   64.583   8.1746   71.552   11.624   57.765   11.498  101.927   8.4156   91.422   9.2811 10.50549 12.52839 
1 1 1  -21    1   79 o  194.713   5.0640  260.273   13.361  264.228   18.937  256.353   18.855  196.199   7.1223  193.226   7.2006 2.973190 10.12798 
1 1 1  -21    1   80 o  150.228   5.2436  155.166   10.667  163.545   15.325  147.291   14.858  154.184   7.3346  146.272   7.4956 7.911163 10.48717 
1 1 1  -21    1   81 o  122.031   5.6168  102.965   9.2452  116.036   13.246   90.549   12.910  129.706   7.5360  114.356   8.3307 15.35020 11.23352 
1 1 1  -21    1   82 o   62.423   8.3244   28.424   6.7805   30.147   9.7592   26.816   9.4276   64.345   11.620   60.500   11.923 3.844532 16.64871 
1 1 1  -21    1   83 o   62.870   9.5837   28.277   7.6614   34.984   12.998   24.707   9.4841   68.050   14.537   57.690   12.493 10.36029 19.16739 
1 1 1  -21    1   84 o   67.566   10.162   34.349   9.2578   23.835   12.830   45.769   13.372   55.493   16.111   79.638   12.390 -24.14482 20.32419 
1 1 1  -21    1   85 o  129.388   7.2919  119.062   12.785  119.946   18.046  118.171   18.116  129.907   10.251  128.870   10.373 1.037430 14.58386 
1 1 1  -21    1   86 o   73.465   10.012   40.974   9.7523   44.859   13.728   37.017   13.857   78.076   12.975   68.854   15.253 9.221985 20.02479 
1 1 1  -21    1   87 o   55.070   10.722   23.738   8.8348   34.722   12.539   12.909   12.450   66.903   14.266   43.238   16.011 23.66466 21.44466 
1 1 1  -21    2    1 o  580.789   8.7701  2311.07   65.624  2360.57   81.549  2220.11  110.541  589.871   10.202  571.707   14.268 18.16437 17.54014 
1 1 1  -21    2    2 o  650.753   9.5987  2898.21   80.360  2949.31   99.602  2802.93  136.016  659.267   11.149  642.239   15.628 17.02759 19.19732 
1 1 1  -21    2    3 o  595.466   8.3868  2426.59   59.108  2448.20   68.712  2365.10  115.917  600.849   8.4389  590.082   14.496 10.76691 16.77357 
1 1 1  -21    2    4 o  603.355   8.4730  2480.07   60.347  2489.87   69.967  2451.61  119.252  605.940   8.5208  600.771   14.648 5.168701 16.94594 
1 1 1  -21    2    5 o  335.329   5.7701  765.305   22.940  768.345   26.657  756.627   45.040  336.679   5.8427  333.978   9.9517 2.701660 11.54013 
1 1 1  -21    2    6 o  432.670   7.0161  1233.58   38.323  1174.63   45.922  1368.81   69.558  416.208   8.1419  449.132   11.429 -32.92319 14.03216 
1 1 1  -21    2    7 o  425.152   6.9541  1207.59   37.582  1174.31   45.508  1278.96   66.644  416.156   8.0695  434.148   11.328 -17.99185 13.90810 
1 1 1  -21    2    8 o  360.267   6.0609  896.721   26.070  916.032   30.550  844.979   50.007  367.610   6.1325  352.923   10.456 14.68661 12.12170 
1 1 1  -21    2    9 o  461.610   6.9687  1441.71   38.047  1437.91   44.082  1452.82   75.334  460.541   7.0634  462.679   12.015 -2.138245 13.93745 
1 1 1  -21    2   10 o  827.783   9.5687  4651.92  107.332  4605.43  150.909  4699.50  152.689  823.599   13.521  831.966   13.543 -8.366272 19.13741 
1 1 1  -21    2   11 o  836.114   9.6549  4746.60  109.394  4730.05  154.442  4763.26  154.972  834.651   13.655  837.576   13.654 -2.924805 19.30975 
1 1 1  -21    2   12 o  467.155   6.1111  1478.78   38.672  1524.13   55.629  1436.36   53.798  474.081   8.6590  460.229   8.6259 13.85178 12.22229 
1 1 1  -21    2   13 o  357.383   5.2134  865.516   25.242  886.153   36.181  845.946   35.234  361.531   7.3850  353.234   7.3606 8.296204 10.42676 
1 1 1  -21    2   14 o  417.661   5.7007  1182.61   32.262  1159.63   45.308  1206.24   45.948  413.545   8.0849  421.777   8.0390 -8.232056 11.40132 
1 1 1  -21    2   15 o  435.973   7.1717  1290.99   39.987  1284.48   69.025  1294.29   49.058  435.060   11.708  436.887   8.2862 -1.827087 14.34344 
1 1 1  -21    2   16 o  339.339   6.2073  773.716   26.814  801.787   47.180  760.323   32.589  343.793   10.127  334.884   7.1811 8.909607 12.41469 
1 1 1  -21    2   17 o  599.583   8.9748  2428.05   68.498  2476.36  120.066  2404.74   83.403  603.793   14.674  595.372   10.337 8.420532 17.94956 
1 1 1  -21    2   18 o  606.784   9.1125  2506.85   70.660  2477.63  121.944  2521.63   86.699  603.914   14.901  609.653   10.494 -5.738770 18.22509 
1 1 1  -21    2   19 o  670.325   9.8581  3061.87   84.502  3020.50  145.562  3082.90  103.779  666.638   16.113  674.013   11.362 -7.375244 19.71611 
1 1 1  -21    2   20 o  587.219   7.2347  2339.40   57.570  2343.01   81.608  2335.82   81.226  587.669   10.248  586.769   10.215 0.8997192 14.46930 
1 1 1  -21    2   21 o  549.947   6.8914  2051.30   51.353  2076.61   73.276  2026.87   71.989  553.279   9.7732  546.616   9.7186 6.663330 13.78282 
1 1 1  -21    2   22 o  485.321   6.3183  1597.39   41.551  1609.62   59.172  1585.49   58.362  487.152   8.9633  483.490   8.9075 3.661499 12.63668 
1 1 1  -21    2   23 o  446.432   5.9876  1351.62   36.222  1335.78   51.078  1367.64   51.375  443.800   8.4930  449.065   8.4423 -5.264465 11.97512 
1 1 1  -21    2   24 o  568.940   7.0984  2196.17   54.728  2191.85   77.320  2200.52   77.474  568.378   10.039  569.501   10.039 -1.123230 14.19678 
1 1 1  -21    2   25 o  520.051   13.283  1836.89   93.608  1836.89   93.608   0.0000   0.0000  520.051   13.283  ?   ?       ?      ? 
1 1 1  -21    2   26 o  760.393   12.685  3934.93  130.702  3917.72  183.962  3952.48  185.730  758.723   17.892  762.064   17.985 -3.341003 25.36902 
1 1 1  -21    2   27 o  854.233   9.8910  4957.41  114.493  4909.36  160.902  5006.70  162.952  850.044   13.968  858.423   14.008 -8.379089 19.78207 
1 1 1  -21    2   28 o  465.081   6.1758  1467.19   38.923  1470.42   55.102  1463.97   54.988  465.592   8.7333  464.570   8.7345 1.021759 12.35157 
1 1 1  -21    2   29 o  369.890   5.4234  927.783   27.184  937.964   38.635  917.802   38.255  371.900   7.6661  367.881   7.6735 4.019043 10.84674 
1 1 1  -21    2   30 o  639.992   7.7770  2780.30   67.446  2802.45   95.850  2758.57   94.922  642.515   11.008  637.468   10.988 5.047302 15.55395 
1 1 1  -21    2   31 o  492.806   6.4300  1647.72   42.940  1643.11   60.679  1652.36   60.775  492.114   9.0990  493.498   9.0877 -1.384430 12.85994 
1 1 1  -21    2   32 o  425.790   5.8815  1229.85   33.936  1228.09   47.970  1231.61   48.017  425.486   8.3196  426.095   8.3158 -0.6090698 11.76302 
1 1 1  -21    2   33 o  660.507   9.7432  2954.60   82.187  2932.19  100.447  3000.00  142.956  657.097   11.280  663.916   15.889 -6.818970 19.48636 
1 1 1  -21    2   34 o  588.030   8.8998  2348.09   67.071  2344.49   82.387  2355.17  115.494  587.643   10.346  588.417   14.484 -0.7736206 17.79957 
1 1 1  -21    2   35 o  345.904   5.3046  811.448   24.861  791.407   34.915  832.058   35.408  341.570   7.5431  350.237   7.4603 -8.666809 10.60910 
1 1 1  -21    2   36 o  347.198   5.3249  817.128   25.042  784.007   34.917  852.205   35.933  339.957   7.5794  354.440   7.4812 -14.48309 10.64970 
1 1 1  -21    2   37 o  551.219   8.5728  2071.22   60.420  2047.81  104.154  2083.09   74.177  548.566   14.011  553.872   9.8828 -5.306335 17.14563 
1 1 1  -21    2   38 o  396.162   6.9480  1062.84   35.111  1074.58   61.160  1057.06   42.881  397.640   11.350  394.683   8.0173 2.957520 13.89609 
1 1 1  -21    2   39 o  404.550   5.7515  1110.71   31.530  1114.47   44.733  1107.01   44.450  405.229   8.1459  403.872   8.1216 1.357208 11.50291 
1 1 1  -21    2   40 o  251.877   4.8344  430.429   16.500  425.780   23.397  435.027   23.272  250.521   6.8917  253.232   6.7816 -2.710739 9.668837 
1 1 1  -21    2   41 o  202.676   5.8436  278.063   14.979  281.073   26.525  276.653   18.151  203.410   9.6228  201.941   6.6326 1.468979 11.68715 
1 1 1  -21    2   42 o  396.336   7.0183  1070.20   35.480  1059.24   61.475  1075.68   43.446  394.613   11.496  398.059   8.0542 -3.445679 14.03664 
1 1 1  -21    2   43 f  498.928   6.5424  1691.09   44.233  1702.37   62.904  1680.06   62.211  500.570   9.2732  497.286   9.2316 3.284241 13.08490 
1 1 1  -21    2   44 o  528.913   9.6820  1906.55   69.379  1874.45   96.824  1940.43   99.462  524.355   13.626  533.471   13.758 -9.116272 19.36404 
1 1 1  -21    2   45 o  548.502   9.9520  2049.96   73.917  1983.66  102.137  2122.86  107.110  539.229   13.977  557.776   14.171 -18.54626 19.90407 
1 1 1  -21    2   46 f  442.346   7.5027  1322.90   42.173  1307.33   51.244  1355.57   74.238  438.651   8.6206  446.041   12.282 -7.389343 15.00544 
1 1 1  -21    2   47 o  153.361   4.8621  159.640   10.104  161.003   14.379  158.312   14.201  154.006   6.8900  152.715   6.8620 1.291229 9.724150 
1 1 1  -21    2   48 o  191.032   4.7567  247.682   12.312  250.260   17.584  245.203   17.246  192.006   6.7581  190.059   6.6958 1.946655 9.513469 
1 1 1  -21    2   49 o  125.816   5.1399  107.366   8.7398  118.740   12.599   96.817   12.134  132.240   7.0308  119.392   7.4994 12.84727 10.27977 
1 1 1  -21    2   50 o  346.194   5.3972  814.123   25.319  821.313   36.038  807.114   35.580  347.701   7.6484  344.686   7.6172 3.015015 10.79440 
1 1 1  -21    2   51 o  326.296   5.2772  723.216   23.333  730.492   33.230  716.141   32.770  327.912   7.4781  324.679   7.4480 3.233612 10.55436 
1 1 1  -21    2   52 o  240.583   4.8696  393.108   15.876  390.698   22.466  395.512   22.438  239.845   6.9120  241.322   6.8612 -1.477371 9.739226 
1 1 1  -21    2   53 o  362.999   6.6877  897.927   31.251  900.060   38.611  893.876   53.213  363.889   7.8300  362.109   10.844 1.779694 13.37544 
1 1 1  -21    2   54 o  285.592   6.0641  546.943   22.300  530.278   27.347  580.016   38.526  279.357   7.2239  291.827   9.7420 -12.46970 12.12812 
1 1 1  -21    2   55 o  233.577   5.8812  369.484   17.632  376.237   30.378  366.053   21.653  235.035   9.5379  232.119   6.8836 2.916138 11.76245 
1 1 1  -21    2   56 o  197.934   4.8266  266.086   12.943  274.155   18.499  258.348   18.115  200.875   6.7959  194.993   6.8556 5.881836 9.653128 
1 1 1  -21    2   57 o  192.787   4.8636  252.587   12.705  250.923   18.038  254.226   17.899  192.152   6.9273  193.421   6.8286 -1.268814 9.727187 
1 1 1  -21    2   58 o  386.464   5.7272  1016.25   29.993  1025.83   42.565  1006.79   42.270  388.276   8.0897  384.653   8.1093 3.623352 11.45447 
1 1 1  -21    2   59 o  316.123   6.5424  684.001   26.390  672.169   45.593  689.962   32.361  313.746   10.724  318.501   7.4978 -4.755341 13.08476 
1 1 1  -21    2   60 o  198.851   7.2141  270.049   19.427  280.006   27.381  259.956   27.566  202.576   9.9744  195.126   10.425 7.450348 14.42812 
1 1 1  -21    2   61 o  278.386   6.3551  528.286   22.464  528.401   27.360  528.049   39.353  278.721   7.2437  278.052   10.444 0.6686401 12.71027 
1 1 1  -21    2   62 o  349.105   5.5067  829.048   26.042  853.027   37.417  806.518   36.268  353.996   7.7999  344.215   7.7753 9.780731 11.01334 
1 1 1  -21    2   63 o  267.947   5.0914  488.467   18.486  488.387   26.252  488.546   26.036  267.920   7.2307  267.973   7.1698 -0.5288696E-01 10.18275 
1 1 1  -21    2   64 o  196.180   5.0994  261.806   13.554  266.139   19.401  257.675   18.944  197.761   7.2395  194.598   7.1836 3.163742 10.19875 
1 1 1  -21    2   65 o  248.820   5.0676  421.333   17.087  421.619   24.262  421.052   24.067  248.900   7.1933  248.740   7.1398 0.1592560 10.13512 
1 1 1  -21    2   66 o  288.081   5.1950  564.906   20.278  573.747   28.936  556.373   28.427  290.293   7.3555  285.868   7.3382 4.425873 10.39003 
1 1 1  -21    2   67 o  223.438   5.0022  339.891   15.144  333.834   21.426  345.939   21.409  221.438   7.1400  225.437   7.0078 -3.998856 10.00441 
1 1 1  -21    2   68 o  160.479   5.1425  175.376   11.182  178.349   15.948  172.501   15.683  161.816   7.2730  159.141   7.2721 2.674683 10.28496 
1 1 1  -21    2   69 o  198.639   5.0623  268.770   13.626  272.940   19.383  264.697   19.159  200.164   7.1458  197.115   7.1727 3.049622 10.12469 
1 1 1  -21    2   70 o  141.978   7.2003  138.230   13.834  129.018   19.443  147.676   19.688  137.140   10.462  146.816   9.8957 -9.676331 14.40070 
1 1 1  -21    2   71 o  185.630   5.1247  235.062   12.886  227.331   18.235  242.774   18.212  182.560   7.3707  188.701   7.1219 -6.140640 10.24938 
1 1 1  -21    2   72 o  102.047   6.3741   71.813   8.6695   56.319   12.115   88.073   12.411   90.579   9.8702  113.515   8.0682 -22.93671 12.74822 
1 1 1  -21    2   73 o  117.814   5.8328   95.034   9.3070   98.518   13.143   91.528   13.182  120.005   8.0817  115.623   8.4127 4.381874 11.66564 
1 1 1  -21    2   74 o  166.837   5.1869  190.121   11.708  205.387   16.790  175.672   16.334  173.388   7.1459  160.285   7.5202 13.10294 10.37386 
1 1 1  -21    2   75 o   69.927   11.979   36.291   11.437   46.359   16.176   26.228   16.171   79.798   15.517   60.055   18.254 19.74302 23.95820 
1 1 1  -21    2   76 o  167.531   5.3489  192.339   12.141  195.731   17.140  188.923   17.201  169.034   7.4827  166.028   7.6453 3.005768 10.69777 
1 1 1  -21    2   77 o   72.425   7.5511   36.436   7.3958   33.526   10.382   39.433   10.538   69.429   11.035   75.421   10.310 -5.992210 15.10213 
1 1 1  -21    2   78 o   81.729   6.8717   46.663   7.4990   37.554   10.572   55.887   10.638   73.459   10.620   90.000   8.7227 -16.54180 13.74332 
1 1 1  -21    2   79 o  123.426   5.5193  104.893   9.2273  100.765   12.987  109.101   13.113  120.944   7.9238  125.909   7.6854 -4.964478 11.03861 
1 1 1  -21    2   80 o  161.378   5.1573  179.213   11.263  191.837   16.070  167.023   15.790  167.029   7.0996  155.727   7.4824 11.30240 10.31462 
1 1 1  -21    2   81 o   70.024   7.8367   35.257   7.1651   29.106   10.136   41.401   10.130   63.053   12.304   76.996   9.7085 -13.94298 15.67336 
1 1 1  -21    2   82 f  168.462   5.1195  195.944   11.676  185.372   16.429  206.737   16.599  163.799   7.4013  173.125   7.0751 -9.326157 10.23893 
1 1 1  -21    2   83 o  202.855   6.8894  289.239   18.936  293.200   27.068  285.443   26.500  204.185   9.7826  201.525   9.7035 2.659714 13.77888 
1 1 1  -21    2   84 o  177.761   6.9300  223.128   16.689  219.368   23.738  226.803   23.467  176.175   9.9431  179.347   9.6557 -3.171967 13.85996 
1 1 1  -21    2   85 o  106.732   7.7524   81.431   11.137   94.645   16.169   69.506   15.361  115.267   10.351   98.197   11.543 17.06959 15.50487 
1 1 1  -21    2   86 o   89.548   8.4428   58.330   10.238   61.374   14.736   55.489   14.235   91.857   11.838   87.239   12.041 4.618393 16.88552 
1 1 1  -21    2   87 o   75.423   9.7924   43.863   9.5597   65.009   13.977   25.279   13.104   94.810   10.879   56.037   16.285 38.77310 19.58474 
1 1 1  -21    3    1 o  734.107   8.6284  3658.62   85.834  3656.56  121.865  3660.65  120.915  733.895   12.254  734.318   12.151 -0.4225464 17.25679 
1 1 1  -21    3    2 o  838.900   11.182  4833.56  111.254  4888.21  129.567  4680.17  217.064  848.682   11.266  829.118   19.319 19.56378 22.36405 
1 1 1  -21    3    3 o  631.667   8.7546  2695.08   64.961  2681.44   74.962  2736.22  130.179  628.775   8.7975  634.558   15.139 -5.783752 17.50929 
1 1 1  -21    3    4 o  355.754   5.9541  868.333   25.247  879.702   29.491  837.138   48.849  360.241   6.0411  351.267   10.262 8.973419 11.90829 
1 1 1  -21    3    5 o  781.584   10.525  4144.73  111.480  4144.73  111.480   0.0000   0.0000  781.584   10.525  ?   ?       ?      ? 
1 1 1  -21    3    6 o  1251.92   16.165 10653.40  274.243 10653.40  274.243   0.0000   0.0000  1251.92   16.165  ?   ?       ?      ? 
1 1 1  -21    3    7 o  1181.22   16.231  9509.42  244.998  9499.80  300.139  9528.64  424.125  1181.57   18.745  1180.87   26.504 0.7023926 32.46264 
1 1 1  -21    3    8 o  824.032   11.677  4635.24  123.574  4677.27  152.541  4555.01  210.771  829.927   13.563  818.138   19.011 11.78949 23.35329 
1 1 1  -21    3    9 o  558.394   8.5130  2145.02   61.545  2218.83   77.194  2016.23  101.961  571.910   9.9603  544.877   13.809 27.03284 17.02605 
1 1 1  -21    3   10 o  671.160   9.8045  3070.45   84.570  3095.23  104.439  3023.26  144.129  675.355   11.412  666.964   15.947 8.391357 19.60909 
1 1 1  -21    3   11 o  672.731   11.316  3075.20  103.151  3024.91  144.671  3127.19  147.117  667.138   16.002  678.323   16.005 -11.18481 22.63221 
1 1 1  -21    3   12 o  550.540   6.8636  2055.97   51.206  2041.55   72.291  2070.49   72.540  548.602   9.7240  552.479   9.6891 -3.876953 13.72717 
1 1 1  -21    3   13 o  829.401   9.5910  4670.99  107.793  4706.39  153.346  4636.42  151.555  832.503   13.593  826.299   13.535 6.203979 19.18198 
1 1 1  -21    3   14 o  1196.55   13.408  9742.47  217.404  9819.25  309.219  9667.42  305.721  1201.20   18.996  1191.90   18.928 9.304199 26.81644 
1 1 1  -21    3   15 o  1226.14   13.721 10233.37  227.987 10248.99  322.911 10217.83  321.936  1227.06   19.419  1225.21   19.390 1.858154 27.44228 
1 1 1  -21    3   16 o  786.491   9.1673  4199.78   97.704  4216.67  138.712  4183.16  137.642  788.057   12.989  784.926   12.940 3.131042 18.33468 
1 1 1  -21    3   17 o  348.638   5.1835  824.181   24.488  816.235   34.711  832.054   34.552  346.964   7.3824  350.313   7.2783 -3.349213 10.36699 
1 1 1  -21    3   18 o  611.036   7.4550  2533.15   61.727  2501.71   86.881  2565.20   87.716  607.206   10.559  614.866   10.527 -7.659790 14.90998 
1 1 1  -21    3   19 o  844.476   12.003  4866.10  129.632  4800.44  223.234  4899.50  159.230  839.641   19.619  849.311   13.835 -9.669861 24.00670 
1 1 1  -21    3   20 o  742.066   12.409  3731.44  124.492  3959.08  183.958  3539.09  169.095  762.823   17.796  721.309   17.299 41.51331 24.81828 
1 1 1  -21    3   21 o  673.922   9.8712  3067.94   84.678  3135.88  148.503  3035.20  103.078  679.127   16.136  668.718   11.375 10.40887 19.74238 
1 1 1  -21    3   22 o  431.029   5.8575  1260.01   34.213  1257.06   48.517  1262.93   48.253  430.525   8.3159  431.533   8.2515 -1.007599 11.71501 
1 1 1  -21    3   23 f  471.893   6.2200  1510.41   39.775  1501.97   56.153  1518.91   56.349  470.569   8.8058  473.217   8.7870 -2.647491 12.43999 
1 1 1  -21    3   24 o  508.298   6.5354  1752.44   45.013  1773.98   64.131  1731.54   63.196  511.374   9.2544  505.222   9.2305 6.152679 13.07081 
1 1 1  -21    3   25 o  528.364   6.7166  1893.88   48.090  1876.95   67.754  1911.06   68.269  525.984   9.5056  530.743   9.4919 -4.758850 13.43326 
1 1 1  -21    3   26 o  575.692   8.8125  2239.05   64.441  2217.66   78.307  2283.91  113.426  571.676   10.108  579.707   14.438 -8.030396 17.62505 
1 1 1  -21    3   27 o  272.008   5.9697  496.205   20.531  486.481   24.784  517.474   36.654  267.858   6.8278  276.157   9.7944 -8.298889 11.93941 
1 1 1  -21    3   28 o  598.183   7.3733  2428.57   59.769  2418.00   84.408  2439.21   84.645  596.877   10.436  599.490   10.419 -2.613464 14.74655 
1 1 1  -21    3   29 f  735.007   8.6982  3669.34   86.637  3677.96  122.789  3660.79  122.258  735.865   12.313  734.149   12.289 1.715149 17.39641 
1 1 1  -21    3   30 o  479.299   7.6705  1561.72   47.246  1566.26   58.264  1552.99   80.737  480.469   8.9486  478.129   12.461 2.339783 15.34103 
1 1 1  -21    3   31 o  457.962   7.4304  1417.44   43.639  1404.32   53.535  1443.43   75.335  454.957   8.6833  460.967   12.060 -6.010590 14.86078 
1 1 1  -21    3   32 o  379.987   6.6845  984.513   32.814  995.332   40.789  964.666   55.246  383.056   7.8577  376.918   10.816 6.137634 13.36896 
1 1 1  -21    3   33 o  380.476   5.5325  982.005   28.525  983.494   40.508  980.542   40.174  380.761   7.8507  380.192   7.7975 0.5688477 11.06499 
1 1 1  -21    3   34 o  363.287   5.4114  895.329   26.640  890.039   37.757  900.572   37.592  362.217   7.6921  364.358   7.6135 -2.141388 10.82282 
1 1 1  -21    3   35 o  248.112   4.7633  417.471   16.013  420.000   22.860  415.034   22.438  248.848   6.7790  247.376   6.6935 1.472397 9.526632 
1 1 1  -21    3   36 o  537.263   6.8516  1959.89   49.883  1968.25   70.841  1951.67   70.253  538.396   9.7095  536.129   9.6696 2.267212 13.70316 
1 1 1  -21    3   37 o  563.830   7.1004  2158.40   54.241  2109.94   75.884  2209.02   77.562  557.361   10.047  570.299   10.036 -12.93811 14.20074 
1 1 1  -21    3   38 o  569.272   8.7899  2213.40   64.002  2176.74  110.089  2232.12   78.661  565.325   14.370  573.219   10.126 -7.894592 17.57977 
1 1 1  -21    3   39 o  133.270   6.1977  121.685   10.398  117.602   18.362  123.612   12.615  131.557   10.300  134.983   6.8966 -3.425232 12.39539 
1 1 1  -21    3   40 o  242.846   5.8294  398.511   18.021  405.741   31.571  395.016   21.948  244.394   9.5328  241.298   6.7122 3.095566 11.65881 
1 1 1  -21    3   41 o  247.705   4.7882  416.262   16.069  418.598   22.984  414.029   22.475  248.382   6.8286  247.028   6.7139 1.353683 9.576341 
1 1 1  -21    3   42 o  363.242   5.4585  894.957   26.857  923.040   38.665  868.772   37.335  368.742   7.7377  357.742   7.7012 11.00067 10.91696 
1 1 1  -21    3   43 o  307.146   5.1035  640.351   21.240  629.349   30.014  651.386   30.061  304.499   7.2738  309.793   7.1606 -5.293732 10.20696 
1 1 1  -21    3   44 o  354.474   6.7220  855.047   30.312  856.895   36.996  851.274   52.873  355.252   7.6848  353.695   11.031 1.556305 13.44401 
1 1 1  -21    3   45 o  414.859   7.2486  1159.49   38.077  1139.78   46.058  1202.07   67.676  409.618   8.2975  420.101   11.888 -10.48245 14.49714 
1 1 1  -21    3   46 o  505.837   6.6269  1739.49   45.424  1753.44   64.636  1725.88   63.849  507.837   9.3922  503.837   9.3514 3.999084 13.25381 
1 1 1  -21    3   47 o  210.603   4.7974  301.010   13.688  304.275   19.637  297.925   19.089  211.710   6.8446  209.496   6.7240 2.213852 9.594837 
1 1 1  -21    3   48 o  228.456   4.7872  354.313   14.820  355.861   21.093  352.805   20.826  228.946   6.7987  227.965   6.7414 0.9812927 9.574399 
1 1 1  -21    3   49 o  251.241   6.0114  437.921   19.324  401.215   32.575  457.851   24.004  242.805   9.9003  259.676   6.8213 -16.87100 12.02272 
1 1 1  -21    3   50 o  320.503   6.4273  705.718   26.562  675.467   44.609  722.336   33.062  314.928   10.453  326.078   7.4822 -11.14996 12.85464 
1 1 1  -21    3   51 o  226.276   6.0754  341.951   17.339  331.643   20.839  365.146   31.258  220.974   6.9590  231.578   9.9607 -10.60385 12.15082 
1 1 1  -21    3   52 o  214.436   5.8272  315.215   16.095  321.133   19.984  304.288   27.155  217.446   6.7818  211.427   9.4779 6.018494 11.65435 
1 1 1  -21    3   53 o  281.086   6.0374  534.188   21.900  526.913   27.026  548.102   37.375  278.479   7.1616  283.693   9.7218 -5.213898 12.07483 
1 1 1  -21    3   54 o  311.425   6.3188  653.126   25.079  680.583   44.068  639.974   30.500  315.986   10.291  306.864   7.3345 9.122406 12.63755 
1 1 1  -21    3   55 o  225.663   5.8600  343.310   16.936  355.992   29.436  337.034   20.707  228.607   9.5019  222.719   6.8609 5.887451 11.71999 
1 1 1  -21    3   56 o  226.749   4.8698  349.366   14.963  351.440   21.305  347.348   21.019  227.410   6.9134  226.087   6.8603 1.322998 9.739577 
1 1 1  -21    3   57 f  240.004   4.9372  391.538   16.057  388.076   22.756  394.970   22.659  238.942   7.0280  241.065   6.9361 -2.123062 9.874313 
1 1 1  -21    3   58 o  251.609   6.2243  433.509   19.811  424.600   34.776  437.789   24.105  249.446   10.288  253.771   7.0093 -4.324265 12.44862 
1 1 1  -21    3   59 o  320.657   6.5911  705.633   26.868  687.081   46.643  714.845   32.868  317.138   10.853  324.177   7.4819 -7.039154 13.18225 
1 1 1  -21    3   60 o  328.555   6.6442  724.449   27.563  704.778   33.184  768.215   49.498  321.838   7.6087  335.272   10.894 -13.43457 13.28835 
1 1 1  -21    3   61 o  377.953   7.0724  966.081   33.806  950.127   40.862  1000.69   60.184  373.549   8.0722  382.358   11.615 -8.808838 14.14476 
1 1 1  -21    3   62 o  330.712   5.4071  744.336   24.230  753.721   34.551  735.254   33.989  332.760   7.6621  328.664   7.6314 4.095825 10.81419 
1 1 1  -21    3   63 o  145.953   5.4317  145.183   10.658  122.197   14.820  169.806   15.338  133.930   8.1657  157.977   7.1648 -24.04720 10.86341 
1 1 1  -21    3   64 o  185.952   5.0312  235.264   12.677  240.604   18.028  230.041   17.829  188.043   7.0746  183.860   7.1556 4.183090 10.06242 
1 1 1  -21    3   65 o  186.572   4.9917  236.845   12.619  239.989   18.006  233.811   17.691  187.787   7.0759  185.358   7.0429 2.428787 9.983490 
1 1 1  -21    3   66 f  196.014   5.0040  261.544   13.291  257.531   18.788  265.564   18.804  194.502   7.1281  197.526   7.0249 -3.023422 10.00795 
1 1 1  -21    3   67 o  282.575   5.2003  543.891   19.913  537.923   28.163  549.857   28.159  281.017   7.3954  284.134   7.3132 -3.116577 10.40065 
1 1 1  -21    3   68 o  270.922   5.1775  499.910   19.001  480.708   26.627  519.833   27.123  265.608   7.3978  276.237   7.2456 -10.62906 10.35500 
1 1 1  -21    3   69 o  145.777   6.3425  146.260   12.107  149.286   15.360  141.296   19.674  147.955   7.6608  143.598   10.110 4.356659 12.68502 
1 1 1  -21    3   70 o   80.442   8.7527   45.499   9.0363   44.177   14.478   46.343   11.565   78.708   14.092   82.175   10.386 -3.467018 17.50535 
1 1 1  -21    3   71 o  204.466   5.0637  285.145   14.029  279.378   19.785  290.976   19.895  202.377   7.2141  206.555   7.1077 -4.178101 10.12734 
1 1 1  -21    3   72 o  225.919   5.1032  348.186   15.619  359.110   22.381  337.815   21.807  229.375   7.2004  222.462   7.2335 6.912491 10.20633 
1 1 1  -21    3   73 o  207.027   5.0872  292.704   14.271  298.690   20.308  286.866   20.058  209.124   7.1662  204.930   7.2225 4.193634 10.17442 
1 1 1  -21    3   74 f   69.005   8.3092   33.636   7.5578   29.828   10.706   37.420   10.671   64.414   12.716   73.597   10.699 -9.182457 16.61846 
1 1 1  -21    3   75 o  106.391   9.2858   79.588   13.308   87.388   18.573   71.355   19.079  111.997   12.237  100.785   13.970 11.21256 18.57154 
1 1 1  -21    3   76 o  213.350   5.1208  311.767   14.805  314.854   20.998  308.717   20.877  214.404   7.2270  212.295   7.2567 2.109268 10.24154 
1 1 1  -21    3   77 o  169.704   5.1597  197.548   11.842  181.418   16.592  214.292   16.906  162.576   7.5312  176.833   7.0548 -14.25641 10.31939 
1 1 1  -21    3   78 o  133.179   5.3875  121.991   9.7122  114.905   13.681  129.190   13.790  129.229   7.8124  137.129   7.4207 -7.899734 10.77493 
1 1 1  -21    3   79 o  207.357   5.0406  295.245   14.155  310.247   20.310  281.073   19.739  212.506   7.0527  202.208   7.2035 10.29808 10.08124 
1 1 1  -21    3   80 o   69.314   7.9999   34.627   7.2074   27.217   10.143   42.183   10.243   60.857   12.710   77.771   9.7192 -16.91423 15.99984 
1 1 1  -21    3   81 o   88.669   6.3620   54.761   7.6411   56.697   10.817   52.833   10.795   90.275   8.8424   87.064   9.1495 3.211113 12.72409 
1 1 1  -21    3   82 o   85.499   6.5308   51.237   7.5257   44.973   10.581   57.650   10.706   80.044   9.7550   90.954   8.6859 -10.90940 13.06159 
1 1 1  -21    3   83 o   76.001   9.5077   42.561   9.4740   52.199   13.797   33.963   13.032   85.282   11.939   66.721   14.800 18.56059 19.01541 
1 1 1  -21    3   84 o   83.560   8.6983   50.576   9.8402   50.664   14.224   50.496   13.627   83.511   12.569   83.610   12.027 -0.9889221E-01 17.39652 
1 1 1  -21    3   85 o   89.400   8.4765   57.880   10.159   69.483   14.802   47.545   13.969   98.271   11.115   80.528   12.801 17.74248 16.95295 
1 1 1  -21    3   86 o   53.316   11.018   22.477   8.4769   20.888   12.037   24.042   11.940   51.505   15.767   55.128   15.393 -3.623352 22.03558 
1 1 1  -21    3   87 o   73.153   13.750   41.203   13.130   41.203   13.130   0.0000   0.0000   73.153   13.750  ?   ?       ?      ? 
1 1 1  -21    4    1 o  803.289   10.723  4382.15  101.391  4377.99  117.248  4394.48  201.894  803.172   10.772  803.406   18.544 -0.2335815 21.44593 
1 1 1  -21    4    2 o  645.463   8.8869  2806.17   67.361  2783.49   77.661  2875.07  135.350  640.587   8.9463  650.339   15.358 -9.752441 17.77376 
1 1 1  -21    4    3 o  749.949   10.108  3828.54   89.476  3835.92  103.690  3807.03  177.062  751.883   10.177  748.014   17.468 3.868896 20.21581 
1 1 1  -21    4    4 o  842.526   11.203  4850.81  111.597  4877.02  129.553  4775.42  219.711  847.667   11.278  837.384   19.362 10.28357 22.40697 
1 1 1  -21    4    5 o  820.324   10.945  4597.03  106.149  4621.14  123.224  4527.66  209.005  825.168   11.020  815.480   18.913 9.687500 21.88915 
1 1 1  -21    4    6 o  412.662   6.4409  1161.59   31.714  1168.87   37.002  1141.44   61.559  415.223   6.5761  410.102   11.077 5.120880 12.88187 
1 1 1  -21    4    7 o  547.668   7.9297  2034.01   58.852  2034.01   58.852   0.0000   0.0000  547.668   7.9297  ?   ?       ?      ? 
1 1 1  -21    4    8 f  489.381   7.3360  1623.90   48.651  1623.90   48.651   0.0000   0.0000  489.381   7.3360  ?   ?       ?      ? 
1 1 1  -21    4    9 o  563.441   8.0501  2191.02   54.259  2233.72   63.620  2077.11  103.915  573.912   8.1802  552.969   13.867 20.94299 16.10029 
1 1 1  -21    4   10 o  299.442   5.5257  626.724   20.051  651.848   23.826  565.732   37.123  310.102   5.6696  288.782   9.4862 21.31964 11.05137 
1 1 1  -21    4   11 o  301.606   5.5432  632.925   20.254  654.161   24.017  580.636   37.687  310.651   5.7051  292.561   9.5058 18.09015 11.08641 
1 1 1  -21    4   12 o  557.880   7.9714  2128.62   52.948  2146.78   61.743  2078.16  102.936  562.638   8.0979  553.122   13.733 9.515320 15.94276 
1 1 1  -21    4   13 o  477.930   7.1410  1565.67   40.905  1584.30   47.917  1515.63   78.539  483.379   7.3152  472.482   12.266 10.89670 14.28202 
1 1 1  -21    4   14 o  542.195   6.8032  1994.37   49.986  1988.19   70.783  2000.52   70.598  541.355   9.6486  543.035   9.5936 -1.679688 13.60635 
1 1 1  -21    4   15 o  405.149   6.8092  1121.41   35.673  1140.41   44.461  1087.07   59.769  410.079   8.0007  400.219   11.020 9.859741 13.61833 
1 1 1  -21    4   16 o  823.666   13.481  4618.97  150.468  4565.26  211.686  4673.81  213.921  818.825   19.077  828.508   19.053 -9.682861 26.96255 
1 1 1  -21    4   17 o  853.090   9.8553  4942.15  113.906  5034.80  163.260  4854.27  158.998  860.869   13.995  845.312   13.880 15.55670 19.71056 
1 1 1  -21    4   18 o  746.426   8.7804  3783.06   88.814  3771.37  125.519  3794.78  125.685  745.269   12.428  747.582   12.406 -2.312256 17.56075 
1 1 1  -21    4   19 o  654.001   7.8847  2902.64   69.874  2861.65   98.135  2944.78   99.513  649.320   11.153  658.683   11.149 -9.363403 15.76945 
1 1 1  -21    4   20 o  797.451   11.425  4329.39  116.271  4310.20  201.527  4338.96  142.353  795.634   18.691  799.268   13.143 -3.633484 22.84940 
1 1 1  -21    4   21 o  712.323   10.392  3462.90   94.677  3404.65  162.888  3492.61  116.349  707.415   16.991  717.231   11.971 -9.815247 20.78485 
1 1 1  -21    4   22 o  667.348   8.0130  3022.98   72.463  3041.55  103.026  3004.79  101.938  669.373   11.358  665.322   11.306 4.051514 16.02607 
1 1 1  -21    4   23 o  703.886   8.3744  3363.96   79.879  3372.17  113.276  3355.84  112.659  704.739   11.861  703.034   11.825 1.704773 16.74878 
1 1 1  -21    4   24 o  522.018   6.6740  1847.95   47.200  1799.20   65.919  1899.24   67.615  514.956   9.4463  529.080   9.4306 -14.12372 13.34798 
1 1 1  -21    4   25 o  505.103   6.5153  1730.97   44.596  1722.57   63.042  1739.38   63.094  503.875   9.2326  506.331   9.1954 -2.455536 13.03057 
1 1 1  -21    4   26 o  811.775   11.640  4477.44  120.381  4463.84  146.951  4505.19  209.899  810.502   13.379  813.049   19.051 -2.547485 23.27951 
1 1 1  -21    4   27 o  757.363   12.621  3896.81  129.531  3896.81  129.531   0.0000   0.0000  757.363   12.621  ?   ?       ?      ? 
1 1 1  -21    4   28 o  442.188   7.3029  1344.18   41.835  1387.89   52.484  1268.01   69.282  452.300   8.5628  432.077   11.832 20.22333 14.60581 
1 1 1  -21    4   29 o  192.032   5.3911  248.558   13.577  244.058   17.086  256.264   22.361  189.713   6.6461  194.351   8.4904 -4.637604 10.78230 
1 1 1  -21    4   30 o  347.150   5.2795  816.354   24.821  850.505   35.868  784.973   34.382  354.107   7.4747  340.193   7.4581 13.91470 10.55905 
1 1 1  -21    4   31 o  622.855   7.6207  2634.54   64.322  2643.14   91.285  2626.05   90.647  623.862   10.798  621.848   10.757 2.013916 15.24139 
1 1 1  -21    4   32 o  822.347   9.5871  4599.27  106.837  4574.52  150.720  4624.27  151.462  820.122   13.562  824.571   13.555 -4.449463 19.17417 
1 1 1  -21    4   33 o  618.619   7.5918  2599.33   63.642  2610.75   90.407  2588.11   89.604  619.963   10.761  617.274   10.712 2.688049 15.18370 
1 1 1  -21    4   34 o  426.060   5.8949  1231.88   34.034  1234.40   48.342  1229.41   47.924  426.489   8.3643  425.631   8.3088 0.8580322 11.78978 
1 1 1  -21    4   35 o  621.830   7.6315  2627.23   64.308  2617.14   90.853  2637.37   91.036  620.632   10.802  623.029   10.783 -2.397217 15.26297 
1 1 1  -21    4   36 o  638.474   7.7997  2769.47   67.469  2820.91   96.678  2720.62   94.203  644.244   11.074  632.703   10.987 11.54102 15.59942 
1 1 1  -21    4   37 o  554.185   8.5929  2078.78   60.554  2118.97  106.322  2059.48   73.670  557.763   14.067  550.607   9.8734 7.155273 17.18582 
1 1 1  -21    4   38 o  364.172   7.6674  900.072   37.839   0.0000   0.0000  900.072   37.839  ?   ?   364.172   7.6674      ?      ? 
1 1 1  -21    4   39 o  299.499   5.0428  608.612   20.464  613.001   29.227  604.390   28.662  300.556   7.1759  298.443   7.0871 2.112762 10.08570 
1 1 1  -21    4   40 o  332.516   5.2338  750.229   23.580  762.523   33.717  738.460   32.990  335.180   7.4231  329.853   7.3803 5.327698 10.46763 
1 1 1  -21    4   41 o  162.560   4.7326  179.296   10.423  180.164   14.912  178.467   14.575  162.943   6.7532  162.177   6.6320 0.7651215 9.465197 
1 1 1  -21    4   42 o  308.088   5.1110  644.256   21.337  647.115   30.391  641.477   29.964  308.759   7.2633  307.417   7.1925 1.342529 10.22198 
1 1 1  -21    4   43 o  476.003   6.3635  1539.73   41.047  1539.55   58.187  1539.91   57.912  475.971   9.0212  476.034   8.9774 -0.6283569E-01 12.72692 
1 1 1  -21    4   44 o  331.514   6.6163  755.036   27.946  771.065   34.331  723.554   48.114  336.979   7.5180  326.049   10.889 10.93024 13.23254 
1 1 1  -21    4   45 o  489.620   6.5030  1629.71   43.147  1619.15   60.765  1640.46   61.275  488.021   9.1883  491.219   9.2050 -3.197601 13.00606 
1 1 1  -21    4   46 o  461.489   6.2503  1447.46   39.084  1466.28   55.757  1429.29   54.802  464.433   8.8592  458.544   8.8192 5.889191 12.50051 
1 1 1  -21    4   47 o  370.105   5.5433  930.609   27.801  925.132   39.305  936.092   39.329  369.013   7.8601  371.197   7.8185 -2.184692 11.08652 
1 1 1  -21    4   48 o  314.406   5.1997  671.425   22.154  673.560   31.418  669.315   31.244  314.902   7.3624  313.910   7.3447 0.9919128 10.39945 
1 1 1  -21    4   49 o  206.922   4.8064  290.594   13.474  298.248   19.324  283.353   18.796  209.572   6.8042  204.272   6.7902 5.299438 9.612704 
1 1 1  -21    4   50 o  357.511   6.5789  861.905   30.249  845.313   37.139  894.604   52.137  352.678   7.7708  362.343   10.618 -9.664825 13.15777 
1 1 1  -21    4   51 o  172.529   5.7018  203.275   12.801  205.680   16.058  199.084   21.202  174.018   6.8094  171.039   9.1473 2.979126 11.40353 
1 1 1  -21    4   52 o  236.421   4.8527  379.685   15.545  371.345   21.905  388.146   22.064  233.801   6.9137  239.041   6.8114 -5.239639 9.705330 
1 1 1  -21    4   53 o  189.838   4.8144  244.760   12.383  251.483   17.666  238.266   17.362  192.402   6.7757  187.274   6.8412 5.128891 9.628699 
1 1 1  -21    4   54 o  288.325   6.1722  557.813   22.638  588.955   40.045  543.187   27.444  293.943   10.053  282.707   7.1636 11.23627 12.34445 
1 1 1  -21    4   55 o  275.159   6.1355  515.951   21.656  513.669   37.145  517.126   26.655  274.490   9.9861  275.828   7.1312 -1.337860 12.27093 
1 1 1  -21    4   56 f  238.914   6.2344  392.139   19.041  399.372   23.453  378.150   32.615  242.381   7.1402  235.448   10.222 6.933258 12.46887 
1 1 1  -21    4   57 o  193.561   7.1643  255.615   18.776  269.991   26.733  241.620   26.376  198.960   9.9153  188.162   10.344 10.79836 14.32865 
1 1 1  -21    4   58 o  192.267   6.2067  252.570   14.959  249.849   26.772  253.805   18.038  191.314   10.326  193.221   6.8890 -1.906219 12.41337 
1 1 1  -21    4   59 o  319.187   5.3190  693.139   23.005  681.682   32.448  704.718   32.621  316.527   7.5647  321.846   7.4794 -5.318695 10.63795 
1 1 1  -21    4   60 o  396.907   7.2963  1083.60   36.917  1098.98   45.302  1053.19   63.696  401.684   8.3224  392.130   11.987 9.553589 14.59261 
1 1 1  -21    4   61 o  281.449   5.1612  538.924   19.684  544.301   27.988  533.662   27.689  282.837   7.3023  280.060   7.2958 2.776733 10.32240 
1 1 1  -21    4   62 o  263.010   5.1560  470.712   18.376  474.726   26.083  466.755   25.894  264.125   7.2874  261.896   7.2960 2.228149 10.31201 
1 1 1  -21    4   63 o  186.934   5.0542  237.842   12.800  234.919   18.235  240.681   17.973  185.790   7.2426  188.077   7.0517 -2.286331 10.10849 
1 1 1  -21    4   64 o  189.552   4.9837  244.677   12.791  233.688   18.126  255.576   18.051  185.290   7.2188  193.814   6.8729 -8.524536 9.967375 
1 1 1  -21    4   65 o  120.346   5.5961   98.742   9.1212   97.044   13.048  100.364   12.755  119.320   8.0698  121.372   7.7551 -2.051590 11.19211 
1 1 1  -21    4   66 o  129.315   5.5388  114.261   9.6753  104.344   13.734  124.031   13.632  123.695   8.1936  134.935   7.4551 -11.23962 11.07759 
1 1 1  -21    4   67 o  172.729   5.1235  203.174   11.990  206.764   17.167  199.754   16.755  174.215   7.2715  171.243   7.2200 2.972244 10.24709 
1 1 1  -21    4   68 f  189.048   5.9060  236.516   14.571  218.082   18.012  271.433   24.789  178.864   7.4311  199.232   9.1817 -20.36736 11.81203 
1 1 1  -21    4   69 o  107.053   8.0420   78.692   11.648   81.282   17.056   76.429   15.946  108.671   11.582  105.436   11.160 3.235588 16.08393 
1 1 1  -21    4   70 o  214.218   5.1554  313.446   14.944  303.038   21.481  323.208   20.804  210.721   7.5225  217.715   7.0514 -6.994736 10.31072 
1 1 1  -21    4   71 o  134.675   5.5040  124.280   10.010  113.238   14.228  135.103   14.086  128.680   8.1595  140.671   7.3891 -11.99196 11.00797 
1 1 1  -21    4   72 o  132.227   5.5557  119.323   9.9435  127.114   14.435  112.288   13.717  136.332   7.8133  128.123   7.9003 8.209778 11.11142 
1 1 1  -21    4   73 o  178.871   5.1283  218.546   12.426  224.911   17.865  212.581   17.295  181.388   7.2681  176.353   7.2368 5.035477 10.25653 
1 1 1  -21    4   74 o  114.282   8.8881   91.073   13.765   91.641   19.512   90.511   19.420  114.639   12.560  113.924   12.579 0.7141342 17.77614 
1 1 1  -21    4   75 o  123.244   7.2690  101.757   11.321   96.170   13.571  114.545   20.533  118.277   8.4668  128.211   11.818 -9.934074 14.53798 
1 1 1  -21    4   76 o   81.301   6.8829   45.725   7.5785   47.976   10.813   43.552   10.624   83.294   9.5801   79.309   9.8854 3.984650 13.76587 
1 1 1  -21    4   77 o  140.665   5.3169  135.846   10.131  141.237   14.534  130.751   14.129  143.387   7.4797  137.942   7.5585 5.445160 10.63373 
1 1 1  -21    4   78 o  138.942   5.3116  132.987   9.9849  124.971   14.166  140.903   14.076  134.705   7.7601  143.180   7.2548 -8.475204 10.62317 
1 1 1  -21    4   79 f  129.300   5.3910  115.343   9.4344  108.644   13.323  122.081   13.362  125.469   7.8358  133.131   7.4063 -7.662247 10.78201 
1 1 1  -21    4   80 o  102.601   5.8987   72.977   8.1925   77.556   11.681   68.544   11.493  105.823   8.1456   99.380   8.5340 6.442673 11.79743 
1 1 1  -21    4   81 o  108.607   5.6789   81.826   8.3562   83.889   11.827   79.769   11.808  110.005   7.9340  107.210   8.1273 2.794815 11.35788 
1 1 1  -21    4   82 o   86.767   7.6190   54.334   8.4809   50.188   14.170   56.648   10.586   83.458   12.529   90.077   8.6726 -6.619377 15.23790 
1 1 1  -21    4   83 o  121.960   7.4734  105.406   12.326  114.903   18.005   97.028   16.911  127.178   10.447  116.742   10.689 10.43677 14.94673 
1 1 1  -21    4   84 o  128.669   7.3032  118.069   12.703  108.297   17.857  128.084   18.076  123.036   10.710  134.303   9.9320 -11.26675 14.60632 
1 1 1  -21    4   85 o   87.180   9.3509   56.810   10.432   75.582   15.288   40.449   14.272  102.363   11.021   71.998   15.110 30.36526 18.70182 
1 1 1  -21    4   86 o  104.048   7.8739   78.589   11.102   78.094   15.699   79.085   15.703  103.698   11.171  104.399   11.099 -0.7009811 15.74782 
1 1 1  -21    5    1 o  330.261   5.6000  741.470   22.278  743.495   26.110  736.050   42.714  331.167   5.8180  329.355   9.5703 1.812073 11.20000 
1 1 1  -21    5    2 o  476.494   7.5225  1547.73   46.489  1564.39   58.055  1517.95   77.616  480.207   8.9214  472.780   12.115 7.426208 15.04509 
1 1 1  -21    5    3 o  592.312   8.3405  2414.46   59.105  2452.20   69.239  2313.07  113.476  601.261   8.4977  583.362   14.354 17.89935 16.68107 
1 1 1  -21    5    4 o  540.225   7.7199  1981.73   49.514  1982.54   57.530  1979.40   97.243  540.672   7.8519  539.777   13.294 0.8946533 15.43974 
1 1 1  -21    5    5 o  452.759   6.8017  1386.75   36.663  1382.29   42.623  1399.45   71.888  451.510   6.9662  454.007   11.684 -2.497284 13.60348 
1 1 1  -21    5    6 o  589.047   8.2942  2375.84   58.241  2398.49   67.979  2313.34  112.928  594.656   8.4358  583.438   14.283 11.21899 16.58837 
1 1 1  -21    5    7 o  376.908   6.1071  976.731   27.762  992.962   32.680  934.651   52.620  382.705   6.3014  371.110   10.463 11.59515 12.21411 
1 1 1  -21    5    8 o  341.677   5.9955  791.426   27.760  791.426   27.760   0.0000   0.0000  341.677   5.9955  ?   ?       ?      ? 
1 1 1  -21    5    9 f  518.922   7.6661  1826.10   53.909  1826.10   53.909   0.0000   0.0000  518.922   7.6661  ?   ?       ?      ? 
1 1 1  -21    5   10 o  261.127   5.1238  458.548   16.263  453.821   19.104  470.989   30.993  258.746   5.4485  263.508   8.6792 -4.762512 10.24768 
1 1 1  -21    5   11 o  259.309   6.2531  456.224   21.962  452.474   31.493  459.774   30.643  258.267   8.9983  260.352   8.6854 -2.085205 12.50623 
1 1 1  -21    5   12 o  514.439   8.0000  1808.52   53.321  1838.66   66.606  1754.74   88.975  520.591   9.4413  508.287   12.918 12.30389 16.00003 
1 1 1  -21    5   13 o  338.638   6.0872  771.540   26.607  757.600   32.804  798.346   45.489  334.256   7.2421  343.019   9.7861 -8.763672 12.17440 
1 1 1  -21    5   14 f  383.742   6.1514  984.082   28.205  968.004   32.752  1030.23   55.489  377.862   6.3961  389.622   10.509 -11.75983 12.30283 
1 1 1  -21    5   15 o  596.127   8.3834  2404.90   59.176  2396.56   68.593  2429.16  117.014  594.411   8.5155  597.844   14.443 -3.432861 16.76675 
1 1 1  -21    5   16 o  459.480   6.0696  1431.97   37.791  1413.14   53.244  1451.09   53.648  456.434   8.6081  462.525   8.5593 -6.091522 12.13923 
1 1 1  -21    5   17 o  535.923   6.7525  1948.67   49.039  1930.36   69.154  1967.18   69.550  533.390   9.5674  538.455   9.5316 -5.065063 13.50502 
1 1 1  -21    5   18 o  595.847   7.3212  2409.20   59.110  2432.91   84.289  2386.26   82.916  598.729   10.389  592.966   10.319 5.761963 14.64244 
1 1 1  -21    5   19 o  486.462   6.3302  1605.40   41.729  1585.82   58.895  1625.14   59.132  483.480   8.9891  489.443   8.9153 -5.962372 12.66048 
1 1 1  -21    5   20 o  344.039   6.4664  806.577   28.140  793.164   49.480  812.988   34.210  341.834   10.682  346.245   7.2911 -4.411438 12.93276 
1 1 1  -21    5   21 o  581.098   8.8430  2262.33   64.811  2379.22  116.457  2209.88   78.007  591.569   14.527  570.627   10.088 20.94165 17.68610 
1 1 1  -21    5   22 o  537.731   8.2475  1959.76   56.934  1951.62   70.010  1975.64   97.833  536.277   9.6335  539.185   13.390 -2.907349 16.49496 
1 1 1  -21    5   23 o  392.211   6.7067  1043.69   33.939  1043.24   42.001  1044.53   57.609  392.181   7.9029  392.241   10.838 -0.6018066E-01 13.41345 
1 1 1  -21    5   24 o  355.886   6.3922  863.694   29.470  874.326   36.765  844.580   49.293  359.042   7.5562  352.730   10.312 6.311523 12.78447 
1 1 1  -21    5   25 o  436.674   7.1814  1300.95   40.515  1316.50   50.378  1272.48   68.169  440.512   8.4392  432.836   11.622 7.675323 14.36283 
1 1 1  -21    5   26 o  448.511   7.4418  1340.65   42.083  1299.28   50.551  1434.04   75.958  437.606   8.5244  459.416   12.201 -21.81027 14.88366 
1 1 1  -21    5   27 o  625.201   9.4066  2650.22   74.837  2636.51   91.198  2678.50  130.948  623.092   10.801  627.310   15.404 -4.218140 18.81320 
1 1 1  -21    5   28 o  482.938   6.3377  1582.56   41.472  1600.29   59.177  1565.44   58.139  485.594   8.9928  480.282   8.9328 5.311981 12.67536 
1 1 1  -21    5   29 o  572.896   7.1462  2228.45   55.478  2205.91   78.166  2251.33   78.753  569.975   10.120  575.817   10.093 -5.842163 14.29239 
1 1 1  -21    5   30 o  763.094   8.9914  3959.17   92.977  3924.75  130.949  3994.16  132.036  759.750   12.719  766.439   12.713 -6.689697 17.98273 
1 1 1  -21    5   31 o  625.779   7.6555  2659.91   64.913  2693.35   92.622  2627.63   91.001  629.640   10.855  621.919   10.798 7.720581 15.31097 
1 1 1  -21    5   32 o  471.957   6.2669  1511.99   40.080  1495.23   56.517  1528.94   56.847  469.324   8.8863  474.590   8.8391 -5.265259 12.53380 
1 1 1  -21    5   33 o  305.890   5.0581  634.907   20.963  623.241   29.723  646.454   29.570  303.089   7.2366  308.691   7.0689 -5.601990 10.11620 
1 1 1  -21    5   34 o  453.528   7.4551  1391.04   43.091  1417.26   75.327  1378.29   52.536  456.470   12.177  450.586   8.6039 5.885010 14.91021 
1 1 1  -21    5   35 o  301.900   6.1435  622.342   23.694  608.216   40.798  629.531   29.106  299.194   10.062  304.606   7.0512 -5.411255 12.28703 
1 1 1  -21    5   36 o  334.167   5.2255  757.870   23.661  750.614   33.574  765.031   33.351  332.573   7.4496  335.760   7.3299 -3.187073 10.45099 
1 1 1  -21    5   37 o  363.765   6.7206  897.043   30.991  904.631   54.604  893.438   37.640  364.724   11.048  362.806   7.6559 1.918884 13.44125 
1 1 1  -21    5   38 f  331.554   6.4628  747.315   27.197  745.315   47.672  748.279   33.115  331.072   10.626  332.036   7.3597 -0.9641418 12.92556 
1 1 1  -21    5   39 o  204.192   4.7077  283.022   13.020  279.086   18.623  286.786   18.211  202.798   6.7763  205.587   6.5368 -2.789551 9.415306 
1 1 1  -21    5   40 o  229.803   4.7412  357.411   14.744  381.905   21.483  335.597   20.274  237.228   6.6825  222.378   6.7275 14.84937 9.482372 
1 1 1  -21    5   41 o  187.166   4.6989  237.917   11.909  230.616   16.989  244.970   16.699  184.333   6.8010  189.998   6.4859 -5.664444 9.397880 
1 1 1  -21    5   42 f   96.688   5.7075   63.526   7.4556   63.164   10.964   63.838   10.169   96.422   8.3906   96.955   7.7397 -0.5322113 11.41509 
1 1 1  -21    5   43 o  233.423   5.9956  369.605   17.786  368.423   21.657  372.054   31.172  232.965   6.8599  233.880   9.8353 -0.9150085 11.99126 
1 1 1  -21    5   44 o  253.849   6.0856  430.332   19.484  417.705   23.421  458.716   35.114  248.040   6.9679  259.658   9.9793 -11.61743 12.17117 
1 1 1  -21    5   45 o  373.214   5.5609  946.052   28.120  960.273   40.202  932.428   39.349  375.956   7.8909  370.471   7.8378 5.484192 11.12189 
1 1 1  -21    5   46 o  446.782   6.1368  1356.71   37.149  1379.74   53.133  1334.70   51.959  450.484   8.7037  443.079   8.6536 7.405243 12.27353 
1 1 1  -21    5   47 o  478.135   6.4031  1554.81   41.486  1571.40   59.097  1538.70   58.250  480.646   9.0732  475.625   9.0376 5.020752 12.80628 
1 1 1  -21    5   48 o  327.478   5.2945  728.535   23.494  736.186   33.510  721.139   32.947  329.166   7.5124  325.790   7.4626 3.375275 10.58904 
1 1 1  -21    5   49 o  345.618   6.5050  813.071   29.071  813.504   36.083  812.270   49.078  345.974   7.6961  345.262   10.489 0.7117310 13.00993 
1 1 1  -21    5   50 f  329.744   6.3524  736.642   27.095  729.044   33.553  750.884   45.935  327.518   7.5599  331.970   10.211 -4.451599 12.70485 
1 1 1  -21    5   51 o  183.236   4.8017  228.167   11.919  222.671   16.935  233.561   16.777  181.041   6.9027  185.431   6.6766 -4.390198 9.603354 
1 1 1  -21    5   52 o  166.836   4.8764  189.063   11.023  192.331   15.761  185.934   15.423  168.246   6.9127  165.426   6.8799 2.819473 9.752819 
1 1 1  -21    5   53 f  210.280   4.8812  300.801   13.891  284.077   19.704  317.324   19.586  204.445   7.1120  216.116   6.6876 -11.67101 9.762386 
1 1 1  -21    5   54 o  146.777   6.0619  143.343   11.344  156.335   20.121  137.289   13.735  151.439   9.8044  142.117   7.1316 9.322098 12.12378 
1 1 1  -21    5   55 o  335.564   5.3894  765.784   24.503  746.077   34.460  785.940   34.850  331.188   7.6782  339.940   7.5651 -8.751770 10.77888 
1 1 1  -21    5   56 o  312.418   6.4985  667.363   25.842  658.665   44.912  671.668   31.597  310.578   10.671  314.257   7.4196 -3.678711 12.99695 
1 1 1  -21    5   57 o  257.086   6.2780  456.471   20.394  433.003   35.567  467.967   24.893  251.825   10.422  262.347   7.0020 -10.52165 12.55603 
1 1 1  -21    5   58 o  264.884   5.0674  477.146   18.187  480.649   25.973  473.776   25.475  265.831   7.2099  263.936   7.1226 1.895447 10.13483 
1 1 1  -21    5   59 o  263.847   6.3434  468.892   21.222  458.751   25.678  490.741   37.694  259.674   7.2972  268.020   10.378 -8.345551 12.68676 
1 1 1  -21    5   60 o  236.198   7.1597  380.943   22.895  377.847   31.642  384.344   33.169  235.228   9.9265  237.168   10.320 -1.939362 14.31947 
1 1 1  -21    5   61 o  232.590   7.2777  367.983   22.875  346.700   30.968  393.538   33.935  225.253   10.145  239.928   10.437 -14.67464 14.55545 
1 1 1  -21    5   62 o  239.355   6.4448  396.507   19.562  407.441   23.971  374.713   33.843  244.676   7.2297  234.033   10.671 10.64310 12.88964 
1 1 1  -21    5   63 o  271.095   5.2001  500.196   19.100  511.589   27.275  489.231   26.757  274.126   7.3423  268.065   7.3657 6.061035 10.40011 
1 1 1  -21    5   64 o  242.253   5.0937  399.563   16.720  392.026   23.605  407.152   23.687  239.951   7.2594  244.555   7.1473 -4.603531 10.18742 
1 1 1  -21    5   65 o  315.297   5.3843  677.403   23.004  667.124   32.478  687.752   32.588  312.886   7.6598  317.708   7.5691 -4.821777 10.76867 
1 1 1  -21    5   66 o  203.407   5.0615  282.037   13.940  270.494   19.797  293.389   19.633  199.249   7.3320  207.564   6.9798 -8.315079 10.12305 
1 1 1  -21    5   67 o  138.814   6.4224  134.160   11.695  142.735   15.072  121.185   18.540  144.668   7.6879  132.959   10.290 11.70909 12.84486 
1 1 1  -21    5   68 o  181.727   6.9875  225.853   17.185  236.203   25.114  216.740   23.566  185.612   9.9845  177.843   9.7782 7.768829 13.97509 
1 1 1  -21    5   69 o  116.080   6.9092   88.850   10.376  104.374   18.083   81.229   12.670  123.185   10.832  108.975   8.5795 14.21023 13.81833 
1 1 1  -21    5   70 o   78.465   7.3443   42.356   7.8065   42.091   11.169   42.610   10.916   78.207   10.538   78.723   10.232 -0.5152359 14.68866 
1 1 1  -21    5   71 o  184.923   5.1408  233.516   12.878  236.349   18.497  230.850   17.941  185.997   7.3387  183.848   7.2011 2.148590 10.28167 
1 1 1  -21    5   72 o  228.869   5.1077  358.087   15.838  356.003   22.612  360.093   22.189  228.191   7.3123  229.548   7.1333 -1.356842 10.21541 
1 1 1  -21    5   73 o  159.705   7.2197  191.233   13.916  138.777   24.082  217.528   17.051  141.054   12.599  178.356   7.0547 -37.30186 14.43948 
1 1 1  -21    5   74 o  147.436   6.8703  136.539   12.878  113.704   15.312  191.734   23.805  128.534   8.7907  166.337   10.561 -37.80373 13.74063 
1 1 1  -21    5   75 o  127.418   5.5962  111.751   9.6278  100.466   13.567  123.201   13.665  120.841   8.2846  133.995   7.5258 -13.15354 11.19248 
1 1 1  -21    5   76 o   55.784   9.3875   22.799   7.0198   26.204   10.057   19.563   9.8024   59.944   12.772   51.624   13.761 8.319801 18.77496 
1 1 1  -21    5   77 o  158.541   5.2183  172.989   11.200  165.736   15.929  180.082   15.752  155.190   7.5742  161.893   7.1800 -6.703476 10.43654 
1 1 1  -21    5   78 f  136.205   5.4068  127.729   9.9714  135.025   14.391  120.991   13.830  139.959   7.5874  132.451   7.7050 7.508316 10.81368 
1 1 1  -21    5   79 o  124.703   5.5375  107.623   9.3432  100.935   13.225  114.286   13.201  120.751   8.0822  128.656   7.5719 -7.904892 11.07504 
1 1 1  -21    5   80 o  100.783   5.9278   70.698   8.0811   66.594   11.509   74.689   11.350   97.802   8.6836  103.765   8.0714 -5.962967 11.85553 
1 1 1  -21    5   81 o   78.917   7.7843   41.242   8.0107   56.541   13.820   33.500   9.8309   89.037   11.454   68.797   10.545 20.24009 15.56858 
1 1 1  -21    5   82 o   77.498   9.5161   45.167   9.5780   35.284   13.696   54.627   13.400   67.635   15.301   87.361   11.319 -19.72579 19.03217 
1 1 1  -21    5   83 o  159.149   7.0155  179.471   15.117  186.852   21.949  172.811   20.850  162.210   9.9853  156.087   9.8572 6.122406 14.03109 
1 1 1  -21    5   84 o   79.892   8.9351   46.909   9.6663   45.871   13.822   47.903   13.524   78.881   12.930   80.904   12.335 -2.022865 17.87013 
1 1 1  -21    5   85 o   32.277   9.6483   2.2126   7.3229   5.0721   10.504  -0.4917   10.215   34.598   14.136   29.956   13.135 4.642401 19.29669 
1 1 1  -21    5   86 o   74.718   14.061   43.318   13.715   43.318   13.715   0.0000   0.0000   74.718   14.061  ?   ?       ?      ? 
1 1 1  -21    6    1 o  275.208   4.6597  513.536   17.376  504.110   24.429  523.189   24.722  272.652   6.6118  277.765   6.5677 -5.113068 9.319367 
1 1 1  -21    6    2 o  384.427   6.1064  1008.18   28.287  1014.76   33.194  990.723   54.061  386.852   6.3319  382.002   10.443 4.849792 12.21289 
1 1 1  -21    6    3 o  497.866   12.464  1684.20   84.089   0.0000   0.0000  1684.20   84.089  ?   ?   497.866   12.464      ?      ? 
1 1 1  -21    6    4 o  332.030   6.0220  739.054   26.108  715.962   32.562  780.627   43.690  324.906   7.3955  339.154   9.5060 -14.24811 12.04403 
1 1 1  -21    6    5 o  592.776   8.2866  2373.02   58.115  2358.88   67.295  2414.50  115.264  589.666   8.4215  595.886   14.274 -6.219666 16.57323 
1 1 1  -21    6    6 o  737.767   10.613  3740.92  101.316  3837.62  126.708  3569.48  168.712  751.575   12.441  723.960   17.197 27.61487 21.22514 
1 1 1  -21    6    7 o  613.041   10.438  2555.94   86.714  2559.86  123.189  2552.08  122.082  613.499   14.818  612.583   14.706 0.9166260 20.87665 
1 1 1  -21    6    8 o  316.247   5.5427  675.375   21.235  671.730   24.925  685.029   40.560  314.771   5.8432  317.724   9.4203 -2.952972 11.08532 
1 1 1  -21    6    9 o  479.866   7.2928  1561.65   47.424  1561.65   47.424   0.0000   0.0000  479.866   7.2928  ?   ?       ?      ? 
1 1 1  -21    6   10 o  641.038   8.9923  2788.14   78.115  2788.14   78.115   0.0000   0.0000  641.038   8.9923  ?   ?       ?      ? 
1 1 1  -21    6   11 o  649.953   9.0079  2908.26   70.018  2952.67   82.000  2788.74  134.529  659.662   9.1730  640.242   15.506 19.42017 18.01579 
1 1 1  -21    6   12 o  470.121   7.0782  1533.58   40.200  1576.53   47.517  1425.44   75.397  482.148   7.2725  458.095   12.146 24.05304 14.15646 
1 1 1  -21    6   13 o  308.737   5.5567  654.473   20.922  665.099   24.796  628.213   38.981  313.214   5.8420  304.261   9.4541 8.952606 11.11348 
1 1 1  -21    6   14 o  605.196   9.0108  2493.79   70.175  2505.29   86.708  2471.95  119.475  607.490   10.533  602.902   14.623 4.588257 18.02169 
1 1 1  -21    6   15 o  743.995   10.708  3805.86  102.991  3906.02  128.674  3627.29  171.804  758.230   12.523  729.760   17.373 28.46936 21.41588 
1 1 1  -21    6   16 o  591.681   8.8598  2383.35   67.466  2393.91   83.368  2363.33  114.844  593.839   10.360  589.523   14.376 4.316895 17.71951 
1 1 1  -21    6   17 o  324.609   6.0319  714.974   25.426  715.200   31.715  714.566   42.540  324.741   7.2068  324.477   9.6745 0.2638245 12.06374 
1 1 1  -21    6   18 o  480.437   7.6022  1574.82   47.182  1592.81   58.652  1541.83   79.425  484.499   8.9333  476.375   12.303 8.123505 15.20450 
1 1 1  -21    6   19 o  382.269   7.8062  991.234   40.438  991.234   40.438   0.0000   0.0000  382.269   7.8062  ?   ?       ?      ? 
1 1 1  -21    6   20 o  270.358   5.8994  488.076   19.919  515.979   36.491  476.234   23.772  275.710   9.7668  265.006   6.6196 10.70364 11.79873 
1 1 1  -21    6   21 o  270.079   4.7657  494.508   17.432  499.152   25.134  490.203   24.198  271.298   6.8364  268.861   6.6415 2.436279 9.531348 
1 1 1  -21    6   22 o  752.780   8.8670  3851.15   90.449  3880.95  128.742  3822.10  127.102  755.650   12.572  749.910   12.507 5.739624 17.73396 
1 1 1  -21    6   23 o  793.031   9.2698  4274.86   99.605  4338.76  142.381  4213.61  139.392  798.824   13.153  787.237   13.066 11.58685 18.53968 
1 1 1  -21    6   24 o  706.126   8.4075  3387.69   80.441  3431.78  114.850  3345.22  112.703  710.630   11.926  701.623   11.854 9.006470 16.81493 
1 1 1  -21    6   25 o  785.894   9.2064  4199.85   98.045  4165.12  138.120  4235.12  139.199  782.619   13.023  789.170   13.016 -6.550964 18.41274 
1 1 1  -21    6   26 o  551.590   8.5760  2063.59   60.210  2054.79   73.405  2081.71  105.259  550.100   9.8469  553.080   14.044 -2.980164 17.15204 
1 1 1  -21    6   27 o  296.516   6.1843  595.494   23.245  593.170   28.231  600.386   40.961  295.710   7.0449  297.321   10.166 -1.610382 12.36868 
1 1 1  -21    6   28 o  348.959   5.2783  826.237   24.958  815.925   35.336  836.501   35.257  346.783   7.5194  351.135   7.4094 -4.352142 10.55655 
1 1 1  -21    6   29 o  404.153   5.7052  1108.38   31.241  1115.27   44.642  1101.77   43.735  405.378   8.1264  402.927   8.0098 2.450836 11.41033 
1 1 1  -21    6   30 o  138.307   5.6410  128.048   9.9881  135.184   17.450  124.571   12.181  141.099   9.1262  135.515   6.6330 5.584152 11.28204 
1 1 1  -21    6   31 o  281.460   5.9333  542.021   21.377  524.683   36.568  551.022   26.348  277.923   9.7095  284.996   6.8222 -7.071991 11.86657 
1 1 1  -21    6   32 o  383.781   5.6054  997.994   29.120  1035.81   42.415  964.274   40.052  390.639   8.0123  376.923   7.8412 13.71640 11.21080 
1 1 1  -21    6   33 o  318.893   5.1162  690.132   22.107  686.229   31.431  693.954   31.100  317.997   7.2938  319.790   7.1765 -1.792786 10.23240 
1 1 1  -21    6   34 o  228.701   4.7006  354.730   14.561  359.020   20.981  350.743   20.224  230.030   6.7306  227.371   6.5637 2.659134 9.401219 
1 1 1  -21    6   35 o  410.206   5.7748  1142.17   32.094  1158.73   45.997  1126.46   44.801  413.097   8.2167  407.315   8.1165 5.782227 11.54956 
1 1 1  -21    6   36 o  311.051   5.0845  656.786   21.428  645.401   30.379  668.060   30.230  308.361   7.2699  313.740   7.1102 -5.378235 10.16894 
1 1 1  -21    6   37 o  226.621   5.7971  341.732   16.515  367.565   30.009  330.508   19.780  232.549   9.5227  220.693   6.6140 11.85623 11.59422 
1 1 1  -21    6   38 o  335.356   5.2558  763.625   23.882  750.631   33.825  776.541   33.723  332.504   7.5069  338.208   7.3581 -5.703400 10.51169 
1 1 1  -21    6   39 o  397.243   5.6954  1071.62   30.655  1045.26   43.063  1098.70   43.648  392.285   8.1006  402.200   8.0082 -9.914154 11.39085 
1 1 1  -21    6   40 o  262.451   4.8555  467.640   17.266  459.553   24.473  475.654   24.363  260.186   6.9409  264.715   6.7917 -4.529175 9.710990 
1 1 1  -21    6   41 f  160.196   4.7808  174.441   10.363  165.325   14.755  183.317   14.560  156.050   6.9773  164.342   6.5376 -8.291687 9.561508 
1 1 1  -21    6   42 o  185.512   4.7414  233.565   11.916  236.165   17.085  231.102   16.629  186.515   6.7597  184.510   6.6505 2.004379 9.482740 
1 1 1  -21    6   43 o  481.085   7.9564  1580.17   48.732  1586.51   59.559  1567.32   84.766  483.010   9.0993  479.161   13.054 3.848999 15.91274 
1 1 1  -21    6   44 o  474.847   6.3608  1533.24   40.928  1509.20   57.533  1557.86   58.235  471.076   9.0125  478.617   8.9786 -7.540924 12.72168 
1 1 1  -21    6   45 o  220.250   4.7766  329.066   14.249  341.901   20.531  317.138   19.793  224.389   6.7518  216.110   6.7585 8.279190 9.553167 
1 1 1  -21    6   46 o  206.221   5.6895  292.192   15.310  301.258   19.379  277.134   24.975  210.619   6.7896  201.823   9.1316 8.795242 11.37909 
1 1 1  -21    6   47 o  145.065   5.7278  139.199   10.969  127.202   13.788  159.879   18.103  136.820   7.4365  153.310   8.7137 -16.48918 11.45562 
1 1 1  -21    6   48 o  190.615   4.8242  246.805   12.461  247.118   17.597  246.490   17.649  190.737   6.8080  190.492   6.8370 0.2445526 9.648470 
1 1 1  -21    6   49 o  265.239   7.0920  478.022   25.491  478.022   25.491   0.0000   0.0000  265.239   7.0920  ?   ?       ?      ? 
1 1 1  -21    6   50 o  136.044   5.1209  125.876   9.4333  122.873   13.508  128.735   13.179  134.449   7.4141  137.639   7.0659 -3.190079 10.24185 
1 1 1  -21    6   51 o  281.127   5.0374  536.398   19.177  561.574   27.711  513.257   26.567  287.450   7.1138  274.804   7.1341 12.64621 10.07483 
1 1 1  -21    6   52 f  172.809   4.9377  203.123   11.554  195.098   16.425  210.981   16.254  169.415   7.1544  176.203   6.8073 -6.787659 9.875493 
1 1 1  -21    6   53 o  387.092   7.0521  1020.47   34.739  1025.93   60.678  1017.82   42.370  387.431   11.557  386.752   8.0843 0.6791687 14.10416 
1 1 1  -21    6   54 o  331.560   6.6604  758.245   28.139  722.629   48.347  776.491   34.604  325.249   10.969  337.872   7.5578 -12.62317 13.32076 
1 1 1  -21    6   55 o  322.748   6.5441  712.127   26.883  703.938   46.741  716.175   32.863  321.021   10.745  324.475   7.4738 -3.454193 13.08825 
1 1 1  -21    6   56 o  154.484   5.0720  162.469   10.607  157.209   15.174  167.496   14.834  152.021   7.3656  156.948   6.9747 -4.927063 10.14392 
1 1 1  -21    6   57 o  320.012   5.3285  696.923   23.104  681.951   32.652  711.934   32.695  316.556   7.6116  323.468   7.4588 -6.912109 10.65695 
1 1 1  -21    6   58 f  351.997   6.8627  837.775   30.648  823.445   37.146  868.331   54.243  347.765   7.8820  356.228   11.237 -8.462616 13.72542 
1 1 1  -21    6   59 o  257.094   6.4676  455.729   21.067  464.970   25.744  436.994   36.656  261.401   7.2674  252.786   10.701 8.615189 12.93526 
1 1 1  -21    6   60 o  145.658   7.3940  144.414   14.595   0.0000   0.0000  144.414   14.595  ?   ?   145.658   7.3940      ?      ? 
1 1 1  -21    6   61 o  170.846   5.1105  198.810   11.822  190.131   16.764  207.395   16.673  167.115   7.4026  174.577   7.0476 -7.461212 10.22092 
1 1 1  -21    6   62 o  236.486   5.0577  380.724   16.206  372.587   22.904  388.881   22.933  233.944   7.2247  239.027   7.0800 -5.083145 10.11545 
1 1 1  -21    6   63 o  101.911   6.3442   71.592   8.6215   56.847   12.159   86.500   12.227   91.178   9.8407  112.645   8.0096 -21.46742 12.68831 
1 1 1  -21    6   64 o  325.280   5.4347  721.139   23.955  724.898   34.011  717.438   33.747  326.118   7.6959  324.441   7.6756 1.677277 10.86931 
1 1 1  -21    6   65 f  187.078   5.2029  238.890   13.164  222.910   18.691  254.618   18.543  180.820   7.6281  193.336   7.0777 -12.51608 10.40583 
1 1 1  -21    6   66 o  168.481   7.1486  194.229   16.307  204.585   23.631  184.814   22.531  172.764   10.093  164.198   10.126 8.565994 14.29724 
1 1 1  -21    6   67 f  122.654   8.5216  102.841   14.164  102.841   14.164   0.0000   0.0000  122.654   8.5216  ?   ?       ?      ? 
1 1 1  -21    6   68 o  264.266   7.4484  480.395   26.657  487.392   37.219  473.026   38.198  266.323   10.313  262.210   10.750 4.113007 14.89686 
1 1 1  -21    6   69 o   83.389   7.2373   47.985   8.1510   44.486   11.689   51.297   11.372   80.358   10.734   86.420   9.7109 -6.061478 14.47464 
1 1 1  -21    6   70 o  214.536   5.0947  314.293   14.801  317.820   21.392  311.054   20.501  215.662   7.3195  213.411   7.0887 2.251938 10.18949 
1 1 1  -21    6   71 o  185.257   5.1543  235.154   12.910  218.979   18.373  250.927   18.144  178.883   7.5795  191.630   6.9870 -12.74742 10.30853 
1 1 1  -21    6   72 o  216.386   6.4006  318.315   17.364  332.532   31.450  312.082   20.825  219.208   10.587  213.564   7.1958 5.643631 12.80129 
1 1 1  -21    6   73 o  188.501   6.7028  250.569   15.920  260.734   19.488  230.170   27.605  195.061   7.3723  181.942   11.196 13.11903 13.40564 
1 1 1  -21    6   74 o  155.497   5.2414  165.868   11.043  167.346   15.796  164.456   15.443  156.161   7.4643  154.833   7.3602 1.327332 10.48274 
1 1 1  -21    6   75 o  159.049   5.2066  173.917   11.208  164.519   15.889  183.223   15.811  154.704   7.5792  163.393   7.1406 -8.688980 10.41310 
1 1 1  -21    6   76 f   72.028   7.7784   37.238   7.2737   29.865   10.354   44.421   10.221   64.070   12.373   79.986   9.4293 -15.91594 15.55672 
1 1 1  -21    6   77 o  132.423   5.4637  121.242   9.7833  114.544   14.015  127.607   13.663  128.753   8.0328  136.094   7.4083 -7.340851 10.92740 
1 1 1  -21    6   78 o  158.841   5.2368  174.149   11.265  173.064   16.191  175.167   15.684  158.305   7.5474  159.376   7.2618 -1.070389 10.47365 
1 1 1  -21    6   79 o  143.156   5.4299  142.464   10.392  114.510   14.489  172.083   14.915  128.362   8.3295  157.951   6.9680 -29.58943 10.85973 
1 1 1  -21    6   80 o  114.067   5.6819   90.565   8.7707   85.520   12.438   95.555   12.370  110.812   8.2826  117.321   7.7806 -6.508041 11.36389 
1 1 1  -21    6   81 o  122.482   7.5969  106.548   12.588  115.109   18.347   98.932   17.304  127.172   10.646  117.793   10.841 9.378815 15.19385 
1 1 1  -21    6   82 o  129.096   7.4685  118.993   13.060  121.100   18.807  117.031   18.149  130.135   10.665  128.059   10.458 2.075943 14.93694 
1 1 1  -21    6   83 o   98.563   8.4574   70.317   11.114   88.411   16.412   54.994   15.103  110.771   10.933   86.356   12.906 24.41506 16.91474 
1 1 1  -21    6   84 o   70.968   10.280   39.433   9.5419   35.865   13.793   42.707   13.214   67.211   15.465   74.726   13.548 -7.515419 20.56027 
1 1 1  -21    7    1 o  371.360   6.2704  903.918   29.817  843.732   36.089  1033.35   52.924  352.647   7.5518  390.073   10.012 -37.42545 12.54079 
1 1 1  -21    7    2 o  436.494   7.0897  1289.90   39.913  1306.86   68.001  1280.98   49.299  438.528   11.443  434.461   8.3734 4.066986 14.17931 
1 1 1  -21    7    3 o  563.134   9.9353  2159.33   75.768  2076.62  107.431  2241.20  106.876  552.345   14.353  573.924   13.742 -21.57959 19.87055 
1 1 1  -21    7    4 o  359.088   6.2994  870.536   29.604  857.562   37.173  893.028   48.946  355.528   7.7157  362.648   9.9598 -7.119965 12.59882 
1 1 1  -21    7    5 o  423.506   6.5235  1226.11   33.333  1236.60   39.166  1198.53   63.486  426.996   6.7687  420.015   11.154 6.981201 13.04708 
1 1 1  -21    7    6 o  270.323   5.1943  501.500   17.314  509.969   20.676  481.632   31.671  274.253   5.5634  266.394   8.7733 7.859344 10.38854 
1 1 1  -21    7    7 o  127.646   4.8266  113.176   7.9075  119.588   9.8857  101.785   13.176  132.809   5.4928  122.483   7.9382 10.32602 9.653298 
1 1 1  -21    7    8 o  267.873   5.1311  477.062   16.847  464.628   19.827  509.361   31.954  261.778   5.5890  273.967   8.6068 -12.18884 10.26228 
1 1 1  -21    7    9 o  505.657   7.5701  1734.55   51.873  1734.55   51.873   0.0000   0.0000  505.657   7.5701  ?   ?       ?      ? 
1 1 1  -21    7   10 o  366.771   6.0705  926.573   26.969  944.113   31.850  882.138   50.694  373.126   6.2989  360.416   10.379 12.71051 12.14109 
1 1 1  -21    7   11 o  366.715   6.1331  943.124   27.431  986.758   32.787  841.336   50.077  381.458   6.3427  351.973   10.499 29.48529 12.26621 
1 1 1  -21    7   12 o  521.422   7.5196  1787.71   45.869  1733.02   52.512  1963.80   94.225  505.426   7.6668  537.417   12.938 -31.99121 15.03913 
1 1 1  -21    7   13 o  261.878   5.1852  464.966   16.674  464.643   19.765  465.764   31.052  261.783   5.5714  261.973   8.7467 -0.1902771 10.37043 
1 1 1  -21    7   14 f  139.734   4.7640  130.257   8.5520  125.860   10.452  139.160   14.875  136.245   5.6612  143.222   7.6639 -6.977554 9.528071 
1 1 1  -21    7   15 o  276.259   5.2328  504.511   17.619  488.405   20.631  547.903   33.864  268.389   5.6725  284.130   8.7950 -15.74112 10.46558 
1 1 1  -21    7   16 o  434.360   6.6244  1244.78   34.014  1209.00   39.160  1354.70   68.641  422.199   6.8444  446.521   11.344 -24.32172 13.24876 
1 1 1  -21    7   17 o  343.995   5.8331  793.964   24.215  783.409   28.303  822.799   46.780  339.890   6.1448  348.100   9.9167 -8.209625 11.66619 
1 1 1  -21    7   18 o  529.964   7.7691  1966.57   49.872  2045.02   59.247  1775.82   92.380  548.993   7.9638  510.935   13.342 38.05771 15.53828 
1 1 1  -21    7   19 o  437.107   7.2436  1314.85   41.385  1367.59   52.641  1229.49   66.967  448.885   8.6538  425.329   11.619 23.55557 14.48726 
1 1 1  -21    7   20 o  340.230   6.3263  788.759   28.259  798.062   35.890  773.581   45.840  342.960   7.7222  337.500   10.023 5.459900 12.65270 
1 1 1  -21    7   21 o  501.101   6.4743  1704.78   43.964  1697.57   62.291  1711.93   62.057  500.042   9.1926  502.160   9.1195 -2.117828 12.94869 
1 1 1  -21    7   22 o  369.733   5.3973  927.615   27.041  920.796   38.390  934.330   38.094  368.380   7.6901  371.085   7.5754 -2.705139 10.79464 
1 1 1  -21    7   23 f  290.849   4.9104  574.058   19.345  555.128   27.390  592.901   27.327  286.057   7.0658  295.641   6.8209 -9.584320 9.820892 
1 1 1  -21    7   24 o  651.969   9.6449  2883.19   80.188  2924.84  139.836  2862.78   97.880  654.953   15.755  648.986   11.129 5.966125 19.28970 
1 1 1  -21    7   25 o  429.218   8.3548  1246.88   48.470  1170.31   65.726  1338.17   71.763  414.858   11.691  443.579   11.939 -28.72165 16.70961 
1 1 1  -21    7   26 o  327.406   7.2810  726.435   32.249  696.155   44.062  761.369   47.328  320.091   10.158  334.722   10.434 -14.63147 14.56195 
1 1 1  -21    7   27 o  273.231   5.8839  516.282   20.628  476.330   34.649  538.216   25.674  264.799   9.6560  281.663   6.7263 -16.86368 11.76781 
1 1 1  -21    7   28 o  418.296   5.8003  1187.78   32.876  1166.58   46.320  1209.30   46.670  414.530   8.2457  422.062   8.1598 -7.531250 11.60063 
1 1 1  -21    7   29 o  259.613   4.7659  457.399   16.762  451.699   23.903  462.914   23.512  258.016   6.8363  261.210   6.6423 -3.193604 9.531825 
1 1 1  -21    7   30 o  183.905   4.5934  228.894   11.433  241.720   16.674  217.514   15.707  188.754   6.5189  179.055   6.4731 9.698593 9.186759 
1 1 1  -21    7   31 o  210.074   4.6181  299.059   13.137  308.757   19.032  290.233   18.156  213.320   6.5836  206.827   6.4780 6.493637 9.236195 
1 1 1  -21    7   32 o  271.783   4.8484  501.330   17.853  497.813   25.456  504.735   25.045  270.840   6.9359  272.726   6.7766 -1.886322 9.696863 
1 1 1  -21    7   33 o  368.464   5.4476  920.464   27.181  958.281   39.355  885.973   37.585  375.687   7.7303  361.240   7.6778 14.44675 10.89524 
1 1 1  -21    7   34 o  310.849   5.0675  655.604   21.340  667.711   30.649  644.210   29.730  313.630   7.2113  308.068   7.1215 5.561737 10.13502 
1 1 1  -21    7   35 o  392.879   5.6506  1046.80   30.059  991.152   41.686  1107.07   43.383  382.011   8.0525  403.746   7.9293 -21.73563 11.30112 
1 1 1  -21    7   36 o  410.557   7.1434  1141.29   37.144  1161.30   65.693  1131.89   45.034  412.910   11.740  408.203   8.1410 4.706635 14.28672 
1 1 1  -21    7   37 o  618.638   7.6487  2604.01   64.103  2650.23   92.027  2560.45   89.344  623.950   10.884  613.326   10.750 10.62463 15.29748 
1 1 1  -21    7   38 o  576.937   7.2525  2264.57   56.696  2224.50   79.539  2305.96   80.837  571.747   10.266  582.127   10.247 -10.38000 14.50492 
1 1 1  -21    7   39 o  336.746   5.2909  769.943   24.138  780.397   34.589  760.018   33.702  338.968   7.5300  334.523   7.4345 4.444916 10.58170 
1 1 1  -21    7   40 o  300.807   5.0756  614.580   20.687  604.250   29.326  624.812   29.186  298.283   7.2550  303.331   7.1002 -5.047455 10.15125 
1 1 1  -21    7   41 o  398.535   5.7448  1078.23   31.009  1118.51   44.754  1041.05   43.004  405.682   8.1406  391.388   8.1081 14.29465 11.48962 
1 1 1  -21    7   42 o  235.549   6.0321  371.431   17.940  361.670   21.598  393.145   32.214  230.775   6.9064  240.323   9.8918 -9.547577 12.06419 
1 1 1  -21    7   43 o  158.159   4.8866  169.912   10.472  166.617   14.827  173.191   14.791  156.625   6.9857  159.693   6.8348 -3.068130 9.773171 
1 1 1  -21    7   44 o  106.124   6.3788   77.529   8.8843   80.522   11.364   72.824   14.248  108.849   7.7042  103.399   10.169 5.449593 12.75750 
1 1 1  -21    7   45 o  254.885   5.8730  447.737   19.444  463.926   24.501  420.195   31.958  261.335   6.9183  248.436   9.4924 12.89902 11.74602 
1 1 1  -21    7   46 o  251.511   4.8795  429.655   16.628  433.992   23.777  425.504   23.264  252.749   6.9419  250.273   6.8593 2.475983 9.759081 
1 1 1  -21    7   47 f  177.916   4.8169  214.437   11.596  231.025   16.887  199.639   15.950  184.412   6.7576  171.420   6.8662 12.99120 9.633794 
1 1 1  -21    7   48 o  187.705   4.8345  239.166   12.291  246.966   17.720  231.933   17.064  190.650   6.8588  184.760   6.8152 5.890106 9.669027 
1 1 1  -21    7   49 o  155.527   5.0090  164.452   10.547  163.182   15.222  165.624   14.627  154.939   7.2497  156.116   6.9139 -1.177872 10.01798 
1 1 1  -21    7   50 o  252.534   4.9629  432.888   16.972  450.584   24.547  416.679   23.493  257.471   7.0354  247.598   7.0018 9.872528 9.925801 
1 1 1  -21    7   51 o  222.002   4.9153  335.178   14.779  328.156   21.113  341.923   20.694  219.707   7.0914  224.297   6.8084 -4.590530 9.830635 
1 1 1  -21    7   52 o  158.073   6.9853  169.870   14.963   0.0000   0.0000  169.870   14.963  ?   ?   158.073   6.9853      ?      ? 
1 1 1  -21    7   53 o  260.934   6.1911  461.787   20.429  469.552   36.222  458.165   24.739  262.285   10.191  259.582   7.0328 2.703033 12.38219 
1 1 1  -21    7   54 o  179.998   4.9560  220.687   12.066  206.862   17.164  234.193   16.965  174.391   7.2631  185.604   6.7450 -11.21248 9.912015 
1 1 1  -21    7   55 o  307.338   5.2433  641.430   21.816  672.476   31.719  613.558   30.053  314.377   7.4453  300.300   7.3849 14.07730 10.48660 
1 1 1  -21    7   56 o  253.539   5.0271  437.443   17.262  420.512   24.412  454.375   24.414  248.611   7.2460  258.467   6.9702 -9.855789 10.05429 
1 1 1  -21    7   57 o  196.161   6.5847  272.175   16.278  291.843   20.104  234.734   27.737  207.108   7.1630  185.213   11.051 21.89484 13.16944 
1 1 1  -21    7   58 o  127.982   7.1951  110.272   11.693  107.274   14.151  116.726   20.760  125.463   8.3230  130.501   11.739 -5.038292 14.39023 
1 1 1  -21    7   59 o  187.629   4.9898  239.280   12.678  246.719   18.372  232.517   17.516  190.402   7.1203  184.855   6.9923 5.547012 9.979580 
1 1 1  -21    7   60 o  151.371   5.1925  156.300   10.631  147.573   15.193  164.672   14.881  147.196   7.6166  155.547   7.0595 -8.350998 10.38509 
1 1 1  -21    7   61 f  237.890   5.0372  385.166   16.232  389.125   23.338  381.457   22.591  239.061   7.2040  236.719   7.0424 2.341431 10.07433 
1 1 1  -21    7   62 o  215.044   5.0279  314.746   14.643  319.309   21.137  310.535   20.306  216.528   7.2035  213.561   7.0164 2.967285 10.05587 
1 1 1  -21    7   63 o  114.004   5.8764   89.286   9.0147   79.029   12.953   98.921   12.554  107.553   8.8869  120.455   7.6909 -12.90154 11.75276 
1 1 1  -21    7   64 o  230.114   5.9747  358.239   17.934  349.377   22.374  374.167   29.995  226.403   7.2925  233.824   9.4662 -7.421326 11.94948 
1 1 1  -21    7   65 o  130.458   6.6984  120.479   11.362  134.559   14.729   99.790   17.854  140.419   7.7407  120.497   10.934 19.92222 13.39674 
1 1 1  -21    7   66 o  144.146   5.3799  141.888   10.488  141.090   15.299  142.594   14.406  143.729   7.8550  144.564   7.3535 -0.8349304 10.75987 
1 1 1  -21    7   67 o  183.318   6.1629  226.440   14.364  240.814   25.462  219.729   17.397  187.200   10.037  179.435   7.1546 7.764938 12.32579 
1 1 1  -21    7   68 o  183.480   5.0998  230.170   12.664  223.802   18.217  236.125   17.617  180.978   7.4280  185.983   6.9899 -5.004868 10.19967 
1 1 1  -21    7   69 o   55.810   9.4740   22.270   7.1233   28.059   10.545   17.410   9.6610   62.409   12.895   49.211   13.884 13.19839 18.94796 
1 1 1  -21    7   70 o  131.908   5.5519  120.099   9.8494  107.677   14.291  131.339   13.593  125.253   8.4195  138.564   7.2393 -13.31054 11.10390 
1 1 1  -21    7   71 o  169.830   7.3145  197.520   16.834   0.0000   0.0000  197.520   16.834  ?   ?   169.830   7.3145      ?      ? 
1 1 1  -21    7   72 o  116.327   8.4596   94.456   13.323   89.008   18.528  100.290   19.172  112.810   12.120  119.843   11.805 -7.032776 16.91914 
1 1 1  -21    7   73 o  113.123   7.2252   87.590   10.491   84.923   12.833   92.964   18.216  110.985   8.5326  115.261   11.662 -4.276588 14.45048 
1 1 1  -21    7   74 o  106.035   6.2233   77.998   8.7979   61.032   12.198   96.395   12.702   93.773   9.5990  118.298   7.9231 -24.52513 12.44655 
1 1 1  -21    7   75 o  167.123   5.1947  191.920   11.750  205.730   16.952  179.149   16.302  172.940   7.2333  161.306   7.4576 11.63443 10.38930 
1 1 1  -21    7   76 o  140.068   5.3185  135.421   10.088  130.383   14.327  140.373   14.206  137.426   7.6934  142.711   7.3457 -5.284821 10.63707 
1 1 1  -21    7   77 o   83.837   6.8054   49.525   7.6561   42.286   10.918   56.528   10.739   77.547   10.389   90.127   8.7928 -12.57956 13.61077 
1 1 1  -21    7   78 o  135.391   5.4111  127.021   9.9255  124.562   14.083  129.449   13.991  134.049   7.7526  136.732   7.5508 -2.683167 10.82212 
1 1 1  -21    7   79 o   75.535   7.1854   40.334   7.3540   41.233   10.440   39.447   10.361   76.395   10.084   74.675   10.239 1.720238 14.37084 
1 1 1  -21    7   80 f   50.722   15.825   19.721   12.060   0.0000   0.0000   19.721   12.060  ?   ?    50.722   15.825      ?      ? 
1 1 1  -21    7   81 o   92.822   11.807   62.455   14.852   0.0000   0.0000   62.455   14.852  ?   ?    92.822   11.807      ?      ? 
1 1 1  -21    7   82 o   67.738   10.673   36.280   9.5275   32.913   14.166   39.061   12.875   64.067   16.282   71.410   13.804 -7.342949 21.34597 
1 1 1  -21    7   83 o   59.024   10.818   28.129   8.9375   20.687   12.945   34.907   12.354   51.000   16.456   67.049   14.047 -16.04880 21.63569 
1 1 1  -21    7   84 o   76.130   14.195   45.132   14.106   45.132   14.106   0.0000   0.0000   76.130   14.195  ?   ?       ?      ? 
1 1 1  -21    8    1 o  321.901   5.0213  702.717   21.897  728.159   31.361  678.514   30.587  327.586   7.0645  316.217   7.1379 11.36914 10.04269 
1 1 1  -21    8    2 o  310.322   4.9275  653.101   20.716  674.144   29.624  632.961   28.980  315.214   6.9351  305.430   7.0018 9.783691 9.854959 
1 1 1  -21    8    3 o  257.828   9.9355  451.652   34.714  451.652   34.714   0.0000   0.0000  257.828   9.9355  ?   ?       ?      ? 
1 1 1  -21    8    4 o  223.971   4.9844  355.463   13.873  382.525   16.953  300.617   24.135  237.513   5.2672  210.428   8.4637 27.08513 9.968813 
1 1 1  -21    8    5 o  331.349   5.5897  735.513   22.463  723.834   26.318  766.846   43.110  326.689   5.9449  336.008   9.4678 -9.318878 11.17943 
1 1 1  -21    8    6 o  268.540   5.0409  474.027   16.590  454.853   19.462  524.997   31.731  258.988   5.5452  278.092   8.4200 -19.10364 10.08189 
1 1 1  -21    8    7 o  211.074   4.7482  298.123   12.570  291.621   15.062  313.043   22.816  207.380   5.3596  214.768   7.8393 -7.388138 9.496316 
1 1 1  -21    8    8 o  416.060   6.7113  1174.31   37.840  1174.31   37.840   0.0000   0.0000  416.060   6.7113  ?   ?       ?      ? 
1 1 1  -21    8    9 o  479.045   7.3115  1557.10   47.464  1557.10   47.464   0.0000   0.0000  479.045   7.3115  ?   ?       ?      ? 
1 1 1  -21    8   10 f  347.244   5.8106  812.416   24.417  805.148   28.615  831.875   46.824  344.546   6.1287  349.942   9.8739 -5.396088 11.62130 
1 1 1  -21    8   11 o  332.220   5.7518  760.451   23.339  775.906   27.719  722.812   43.257  338.235   6.0475  326.204   9.7856 12.03137 11.50351 
1 1 1  -21    8   12 f  484.780   7.1924  1603.47   41.917  1611.45   49.105  1582.02   80.472  487.322   7.4357  482.238   12.314 5.083405 14.38488 
1 1 1  -21    8   13 o  426.989   6.9896  1218.75   38.402  1177.72   47.021  1300.93   66.548  416.530   8.3304  437.448   11.226 -20.91818 13.97926 
1 1 1  -21    8   14 o  204.874   5.2648  285.887   14.285  290.000   18.422  279.684   22.624  206.763   6.5747  202.986   8.2245 3.776733 10.52950 
1 1 1  -21    8   15 o  250.286   5.5233  431.101   18.208  453.195   23.510  397.980   28.785  258.466   6.7122  242.106   8.7736 16.36008 11.04669 
1 1 1  -21    8   16 o  327.687   6.0790  731.395   26.026  738.098   32.799  719.998   42.766  329.810   7.3386  325.564   9.6935 4.245911 12.15808 
1 1 1  -21    8   17 o  252.650   5.4406  422.732   17.983  395.596   22.351  472.545   30.283  241.475   6.8304  263.826   8.4704 -22.35136 10.88125 
1 1 1  -21    8   18 o  238.884   6.6218  383.716   21.084  408.453   33.383  367.301   27.194  245.180   10.048  232.587   8.6279 12.59349 13.24364 
1 1 1  -21    8   19 o  292.937   6.9953  580.065   27.499  603.749   42.284  562.707   36.200  298.044   10.469  287.830   9.2808 10.21341 13.99067 
1 1 1  -21    8   20 o  335.638   5.7637  754.808   23.372  743.105   27.322  786.739   45.129  330.992   6.0913  340.284   9.7865 -9.292145 11.52732 
1 1 1  -21    8   21 o  173.726   5.1243  199.782   11.761  183.894   14.814  226.859   19.340  164.637   6.6401  182.816   7.8065 -18.17894 10.24854 
1 1 1  -21    8   22 o  164.378   5.0099  186.550   10.349  192.251   12.588  174.662   18.179  168.368   5.5171  160.387   8.3640 7.981491 10.01973 
1 1 1  -21    8   23 o  419.630   8.2419  1195.61   46.868  1195.61   46.868   0.0000   0.0000  419.630   8.2419  ?   ?       ?      ? 
1 1 1  -21    8   24 o  607.562   7.4805  2509.58   61.585  2474.46   86.579  2545.54   87.619  603.258   10.591  611.865   10.567 -8.607727 14.96094 
1 1 1  -21    8   25 f  415.456   7.1939  1184.63   38.228  1208.47   47.128  1138.78   65.364  421.860   8.2438  409.052   11.792 12.80859 14.38775 
1 1 1  -21    8   26 o  159.561   4.5890  173.434   9.8806  157.750   14.136  188.417   13.816  152.467   6.8417  166.654   6.1178 -14.18797 9.177992 
1 1 1  -21    8   27 o  285.819   4.8756  554.528   18.874  532.205   26.627  577.072   26.758  280.028   7.0168  291.610   6.7713 -11.58182 9.751201 
1 1 1  -21    8   28 o  273.272   4.8036  507.014   17.781  493.580   25.267  520.195   25.027  269.676   6.9141  276.867   6.6705 -7.191101 9.607262 
1 1 1  -21    8   29 o  210.212   4.5751  299.848   13.024  300.174   18.766  299.544   18.091  210.317   6.5844  210.107   6.3539 0.2097473 9.150242 
1 1 1  -21    8   30 o  408.800   5.7455  1134.49   31.819  1158.49   45.709  1111.92   44.321  412.988   8.1673  404.613   8.0832 8.374786 11.49103 
1 1 1  -21    8   31 o  427.935   5.9124  1243.71   34.280  1262.77   49.094  1225.57   47.886  431.128   8.4030  424.741   8.3196 6.386780 11.82485 
1 1 1  -21    8   32 o  352.738   5.3396  844.990   25.521  840.266   36.293  849.611   35.894  351.757   7.6138  353.720   7.4883 -1.963593 10.67912 
1 1 1  -21    8   33 o  195.002   4.6576  258.234   12.296  254.729   17.719  261.489   17.076  193.716   6.7497  196.287   6.4198 -2.570862 9.315142 
1 1 1  -21    8   34 o  305.754   5.0711  634.179   20.996  649.584   30.403  620.133   29.030  309.293   7.2538  302.215   7.0884 7.078033 10.14213 
1 1 1  -21    8   35 o  425.645   7.2741  1215.02   39.016  1282.17   70.260  1185.08   46.914  433.689   11.955  417.602   8.2901 16.08704 14.54811 
1 1 1  -21    8   36 o  291.960   5.0220  579.050   19.861  569.446   28.340  588.321   27.843  289.569   7.2222  294.351   6.9801 -4.782013 10.04401 
1 1 1  -21    8   37 o  433.269   5.9893  1276.09   35.164  1275.63   49.954  1276.55   49.507  433.184   8.5096  433.353   8.4304 -0.1688538 11.97852 
1 1 1  -21    8   38 o  402.089   5.7566  1098.77   31.363  1104.93   44.748  1092.82   43.971  403.189   8.1900  400.989   8.0919 2.200317 11.51319 
1 1 1  -21    8   39 o  433.381   6.0214  1276.30   35.352  1307.72   50.800  1246.79   49.226  438.545   8.5481  428.218   8.4830 10.32712 12.04289 
1 1 1  -21    8   40 o  563.925   8.7304  2198.75   63.761  2270.30   79.989  2074.06  105.596  577.339   10.224  550.511   14.155 26.82806 17.46084 
1 1 1  -21    8   41 o  449.533   8.7480  1374.66   53.291  1374.66   53.291   0.0000   0.0000  449.533   8.7480  ?   ?       ?      ? 
1 1 1  -21    8   42 o  325.106   6.2695  705.933   26.247  678.384   32.131  761.182   45.503  315.942   7.5048  334.270   10.045 -18.32791 12.53900 
1 1 1  -21    8   43 o  373.038   5.5771  946.005   28.189  953.324   40.267  938.971   39.476  374.445   7.9355  371.631   7.8386 2.813843 11.15416 
1 1 1  -21    8   44 o  317.084   5.2002  683.473   22.340  668.692   31.637  698.173   31.551  313.652   7.4432  320.516   7.2641 -6.863495 10.40039 
1 1 1  -21    8   45 o  229.759   4.8186  358.459   14.996  365.121   21.613  352.274   20.823  231.811   6.8802  227.708   6.7482 4.102646 9.637199 
1 1 1  -21    8   46 o  227.780   4.8484  352.788   14.949  333.006   21.114  372.670   21.168  221.356   7.0389  234.204   6.6696 -12.84828 9.696847 
1 1 1  -21    8   47 o  227.209   4.8399  350.119   14.887  367.962   21.644  334.099   20.508  232.690   6.8639  221.728   6.8252 10.96159 9.679711 
1 1 1  -21    8   48 o   63.816   7.9902   28.429   6.7216   26.493   9.8138   30.140   9.2251   61.165   12.267   66.467   10.242 -5.302464 15.98041 
1 1 1  -21    8   49 o  252.414   6.0389  425.304   19.267  457.379   34.644  410.940   23.183  258.960   9.8721  245.868   6.9581 13.09219 12.07784 
1 1 1  -21    8   50 o  223.033   6.0790  345.180   17.116  320.748   29.733  357.288   20.932  216.797   10.121  229.268   6.7372 -12.47101 12.15803 
1 1 1  -21    8   51 f  215.137   6.0907  318.748   16.480  305.859   29.084  324.843   20.000  211.677   10.139  218.597   6.7516 -6.920135 12.18144 
1 1 1  -21    8   52 o  235.155   4.9377  375.776   15.722  382.373   22.779  369.774   21.726  237.112   7.0893  233.199   6.8751 3.913208 9.875456 
1 1 1  -21    8   53 o  180.571   4.9575  221.221   12.115  232.607   17.697  211.180   16.619  184.928   7.0619  176.214   6.9597 8.713638 9.915039 
1 1 1  -21    8   54 o  129.254   5.4572  113.297   9.5378  120.463   14.068  107.201   12.975  133.015   7.8044  125.493   7.6298 7.521965 10.91436 
1 1 1  -21    8   55 o  222.621   7.0185  337.161   21.174   0.0000   0.0000  337.161   21.174  ?   ?   222.621   7.0185      ?      ? 
1 1 1  -21    8   56 o  124.863   6.9870  105.186   11.179  102.530   13.656  110.580   19.464  122.662   8.2156  127.065   11.304 -4.402512 13.97395 
1 1 1  -21    8   57 o  201.746   6.2818  277.542   16.093  277.271   19.597  278.103   28.203  201.837   7.1648  201.655   10.320 0.1820068 12.56363 
1 1 1  -21    8   58 o  188.475   5.0104  242.134   12.779  231.053   18.260  252.769   17.889  184.215   7.3147  192.735   6.8494 -8.519989 10.02089 
1 1 1  -21    8   59 o  214.344   4.9738  312.888   14.433  309.634   20.809  315.905   20.037  213.245   7.2008  215.442   6.8630 -2.197128 9.947513 
1 1 1  -21    8   60 o  158.064   5.1827  168.096   11.019  199.482   16.573  143.227   14.752  171.147   7.1456  144.982   7.5087 26.16499 10.36537 
1 1 1  -21    8   61 o   59.055   9.1781   24.678   7.1574   30.404   10.611   19.897   9.6951   65.418   12.424   52.692   13.513 12.72568 18.35613 
1 1 1  -21    8   62 f  117.265   5.9250   94.645   9.3119   78.961   13.212  110.128   13.127  107.456   9.0727  127.075   7.6229 -19.61842 11.85002 
1 1 1  -21    8   63 o  201.867   5.9217  277.517   15.712  274.680   19.886  282.229   25.634  200.699   7.3117  203.035   9.3169 -2.335175 11.84337 
1 1 1  -21    8   64 o  159.623   5.2217  173.925   11.278  172.615   16.368  175.110   15.563  159.018   7.5955  160.228   7.1675 -1.210266 10.44340 
1 1 1  -21    8   65 o  103.195   6.1713   72.718   8.6047   75.534   12.757   70.367   11.655  104.993   8.9662  101.397   8.4822 3.595505 12.34268 
1 1 1  -21    8   66 o  152.583   6.2813  154.457   12.126  174.134   21.968  145.834   14.542  159.057   10.192  146.108   7.3448 12.94926 12.56257 
1 1 1  -21    8   67 o   68.493   8.1586   33.943   7.1872   26.335   10.613   40.387   9.7676   60.341   13.335   76.644   9.4043 -16.30349 16.31726 
1 1 1  -21    8   68 o  157.546   5.2164  169.566   11.116  174.033   16.303  165.684   15.197  159.447   7.5452  155.645   7.2050 3.801819 10.43273 
1 1 1  -21    8   69 o  170.403   6.7050  205.751   14.013  186.725   25.392  214.083   16.804  163.908   11.432  176.897   7.0099 -12.98892 13.41000 
1 1 1  -21    8   70 o  114.083   7.5109   87.306   10.487   97.496   20.085   83.487   12.296  117.966   12.564  110.201   8.2336 7.764938 15.02187 
1 1 1  -21    8   71 o  139.560   6.6331  129.444   11.857  119.533   14.340  150.867   21.082  131.824   8.0271  147.295   10.562 -15.47025 13.26617 
1 1 1  -21    8   72 o   96.486   6.3537   64.211   8.2959   68.472   12.106   60.438   11.391   99.497   8.9789   93.475   8.9922 6.021805 12.70746 
1 1 1  -21    8   73 o  128.298   5.5358  114.043   9.5682  101.761   13.689  125.775   13.379  121.368   8.3233  135.230   7.3008 -13.86199 11.07158 
1 1 1  -21    8   74 o   83.120   6.7555   48.176   7.5984   47.288   10.979   48.993   10.527   82.314   9.8424   83.926   9.2560 -1.612778 13.51095 
1 1 1  -21    8   75 o   67.472   9.0283   30.211   7.9500   15.251   9.9936   55.996   13.120   45.804   14.425   89.140   10.861 -43.33664 18.05665 
1 1 1  -21    8   76 o   52.562   11.002   20.848   9.2630   7.9013   13.970   31.005   12.374   41.082   16.476   64.042   14.585 -22.96045 22.00431 
1 1 1  -21    8   77 o  107.101   7.2802   78.662   9.8607   87.897   17.800   74.572   11.844  110.781   11.857  103.421   8.4512 7.359734 14.56042 
1 1 1  -21    8   78 o   85.697   10.075   55.320   11.288   62.580   15.679   47.509   16.264   92.968   12.445   78.425   15.848 14.54299 20.15100 
1 1 1  -21    8   79 o   68.471   16.460   37.100   15.085   37.100   15.085   0.0000   0.0000   68.471   16.460  ?   ?       ?      ? 
1 1 1  -21    8   80 o   92.203   8.7390   61.805   10.883   68.079   16.179   56.621   14.707   96.436   12.380   87.970   12.337 8.466087 17.47802 
1 1 1  -21    8   81 o  109.482   7.9375   86.778   11.758   91.061   17.232   83.047   16.083  111.913   11.363  107.050   11.086 4.862785 15.87495 
1 1 1  -21    8   82 o  107.247   8.1494   82.057   11.437  116.128   17.564   56.975   15.070  126.972   10.208   87.522   12.706 39.45012 16.29883 
1 1 1  -21    8   83 f   88.864   12.740   59.088   15.342   59.088   15.342   0.0000   0.0000   88.864   12.740  ?   ?       ?      ? 
1 1 1  -21    9    1 o  253.611   4.6207  435.950   15.869  414.218   22.053  459.286   22.852  247.061   6.5869  260.160   6.4819 -13.09990 9.241317 
1 1 1  -21    9    2 o  336.496   6.4871  774.197   27.533  756.433   48.580  782.604   33.419  333.450   10.751  339.542   7.2631 -6.091949 12.97429 
1 1 1  -21    9    3 o  291.484   4.8428  576.487   19.127  565.396   26.831  587.946   27.273  288.633   6.8598  294.335   6.8376 -5.701263 9.685513 
1 1 1  -21    9    4 o  340.292   5.1601  786.033   23.795  782.990   33.581  789.101   33.723  339.630   7.2963  340.953   7.2988 -1.322571 10.32025 
1 1 1  -21    9    5 o  309.312   5.4453  647.157   20.555  644.058   24.243  655.084   38.768  308.133   5.8059  310.491   9.2139 -2.357574 10.89056 
1 1 1  -21    9    6 o  305.229   5.4407  633.645   20.312  635.154   24.035  629.874   37.995  305.997   5.7963  304.461   9.2091 1.536163 10.88139 
1 1 1  -21    9    7 o  351.849   6.1388  839.867   29.270  839.867   29.270   0.0000   0.0000  351.849   6.1388  ?   ?       ?      ? 
1 1 1  -21    9    8 o  344.148   6.0807  803.482   28.358  803.482   28.358   0.0000   0.0000  344.148   6.0807  ?   ?       ?      ? 
1 1 1  -21    9    9 o  310.056   5.5369  663.620   21.047  679.075   25.081  626.826   38.699  316.400   5.8495  303.712   9.4028 12.68796 11.07382 
1 1 1  -21    9   10 o  386.013   6.2578  1040.44   29.485  1080.39   35.184  946.218   54.039  399.034   6.5066  372.993   10.691 26.04132 12.51552 
1 1 1  -21    9   11 o  387.359   6.1783  1012.48   28.853  1004.55   33.750  1034.04   55.620  384.776   6.4726  389.941   10.526 -5.164978 12.35658 
1 1 1  -21    9   12 o  331.435   5.6411  725.203   22.553  701.824   26.240  791.302   44.122  321.645   6.0202  341.225   9.5419 -19.57986 11.28226 
1 1 1  -21    9   13 o  355.771   5.8511  833.192   24.967  804.608   28.940  916.404   49.377  344.380   6.2011  367.162   9.9240 -22.78143 11.70211 
1 1 1  -21    9   14 o  339.573   5.8201  795.206   24.156  811.902   28.709  754.732   44.699  345.942   6.1239  333.204   9.8992 12.73807 11.64030 
1 1 1  -21    9   15 o  295.385   5.5074  606.745   20.034  628.364   24.030  557.460   36.282  304.356   5.8261  286.414   9.3479 17.94232 11.01482 
1 1 1  -21    9   16 o  304.219   5.5791  642.391   20.862  662.989   24.966  594.716   37.982  312.623   5.8930  295.814   9.4750 16.80942 11.15810 
1 1 1  -21    9   17 o  360.440   6.4228  877.470   30.290  862.846   38.008  902.923   50.142  356.476   7.8679  364.405   10.154 -7.928375 12.84554 
1 1 1  -21    9   18 o  298.123   5.9360  603.633   23.378  603.495   29.897  603.849   37.503  298.160   7.3993  298.086   9.2841 0.7452393E-01 11.87200 
1 1 1  -21    9   19 o  324.563   5.7311  722.863   22.699  732.855   26.898  698.143   42.306  328.666   6.0392  320.461   9.7420 8.205750 11.46210 
1 1 1  -21    9   20 o  232.143   5.3537  387.568   15.326  426.349   18.769  309.994   26.546  250.709   5.5245  213.576   9.1721 37.13373 10.70741 
1 1 1  -21    9   21 o  472.350   7.1032  1515.97   40.129  1514.52   46.805  1520.00   77.966  472.327   7.3125  472.373   12.180 -0.4608154E-01 14.20633 
1 1 1  -21    9   22 o  474.483   7.1241  1524.99   40.380  1518.16   47.024  1544.16   78.795  472.883   7.3382  476.084   12.213 -3.201477 14.24825 
1 1 1  -21    9   23 o  333.399   6.1484  754.213   27.779  754.213   27.779   0.0000   0.0000  333.399   6.1484  ?   ?       ?      ? 
1 1 1  -21    9   24 o  285.796   5.8437  554.153   22.632  554.153   22.632   0.0000   0.0000  285.796   5.8437  ?   ?       ?      ? 
1 1 1  -21    9   25 o  481.409   7.2770  1604.15   42.229  1638.35   49.767  1516.20   79.804  491.198   7.4766  471.619   12.487 19.57932 14.55397 
1 1 1  -21    9   26 o  566.494   7.1118  2183.12   54.594  2183.89   77.424  2182.37   76.994  566.586   10.084  566.401   10.031 0.1854248 14.22351 
1 1 1  -21    9   27 o  260.839   4.7832  462.047   16.893  439.354   23.847  484.905   23.934  254.396   6.9175  267.281   6.6078 -12.88507 9.566334 
1 1 1  -21    9   28 o  210.400   4.6028  299.365   13.099  322.033   19.209  279.659   17.910  217.818   6.5077  202.982   6.5110 14.83603 9.205617 
1 1 1  -21    9   29 o  234.435   4.6794  373.084   14.859  372.978   21.351  373.183   20.691  234.396   6.7217  234.474   6.5119 -0.7818604E-01 9.358739 
1 1 1  -21    9   30 o  402.030   5.7130  1096.18   31.090  1029.55   43.003  1169.14   45.002  389.245   8.1525  414.815   8.0055 -25.57025 11.42591 
1 1 1  -21    9   31 o  281.496   7.0095  538.077   26.739  538.077   26.739   0.0000   0.0000  281.496   7.0095  ?   ?       ?      ? 
1 1 1  -21    9   32 o  230.300   4.7072  360.234   14.681  355.762   21.068  364.455   20.470  228.901   6.7920  231.700   6.5193 -2.799057 9.414493 
1 1 1  -21    9   33 o  155.469   4.7679  163.564   10.025  173.135   14.751  155.347   13.667  159.678   6.8171  151.260   6.6676 8.417847 9.535711 
1 1 1  -21    9   34 o  267.368   6.1149  491.736   20.582  470.685   36.245  501.755   25.004  262.912   10.173  271.825   6.7880 -8.912506 12.22986 
1 1 1  -21    9   35 o  294.142   5.0392  587.292   20.079  604.826   28.850  570.819   27.964  298.396   7.1345  289.888   7.1184 8.508484 10.07832 
1 1 1  -21    9   36 o  276.907   5.7715  501.975   20.664  461.224   25.226  585.111   36.030  260.565   7.1440  293.249   9.0666 -32.68393 11.54292 
1 1 1  -21    9   37 o   49.333   9.4268   17.435   6.5647   21.130   8.8326   12.875   9.8124   54.566   12.246   44.101   14.335 10.46538 18.85368 
1 1 1  -21    9   38 o  208.614   4.7351  294.863   13.368  315.811   19.430  276.033   18.422  215.636   6.6492  201.592   6.7433 14.04384 9.470188 
1 1 1  -21    9   39 o  213.639   4.7446  309.769   13.730  319.136   19.772  301.044   19.081  216.754   6.7313  210.523   6.6883 6.230225 9.489153 
1 1 1  -21    9   40 o  158.551   6.1300  170.516   12.308  169.534   14.929  172.599   21.745  157.961   6.9742  159.142   10.083 -1.181061 12.26008 
1 1 1  -21    9   41 o  105.936   5.5234   75.895   7.9075   83.100   11.688   69.814   10.738  110.547   7.8023  101.324   7.8203 9.222610 11.04687 
1 1 1  -21    9   42 o  255.128   4.9016  442.307   16.938  442.581   24.344  442.051   23.582  255.192   7.0396  255.063   6.8225 0.1293793 9.803203 
1 1 1  -21    9   43 o  314.439   7.4159  672.229   31.600  672.229   31.600   0.0000   0.0000  314.439   7.4159  ?   ?       ?      ? 
1 1 1  -21    9   44 o  187.704   4.8499  239.028   12.321  247.602   17.980  231.437   16.918  190.865   6.9514  184.544   6.7649 6.320114 9.699755 
1 1 1  -21    9   45 o  273.492   5.0277  507.669   18.616  527.695   27.061  489.678   25.649  278.596   7.1677  268.388   7.0523 10.20850 10.05542 
1 1 1  -21    9   46 o  334.154   6.5541  764.296   27.951  751.137   48.270  770.935   34.284  331.646   10.740  336.662   7.5147 -5.016174 13.10828 
1 1 1  -21    9   47 o  119.587   6.7709  100.422   10.038   90.130   17.838  105.191   12.143  114.803   11.466  124.371   7.2046 -9.567810 13.54173 
1 1 1  -21    9   48 o  276.507   5.0517  520.115   18.921  514.237   27.072  525.728   26.455  274.962   7.2655  278.052   7.0209 -3.090302 10.10347 
1 1 1  -21    9   49 o  282.171   5.1432  542.278   19.636  509.179   27.837  575.057   27.702  273.555   7.5093  290.788   7.0300 -17.23367 10.28641 
1 1 1  -21    9   50 o  244.047   6.1333  409.473   18.911  395.848   33.157  416.042   23.023  240.749   10.163  247.345   6.8686 -6.595993 12.26655 
1 1 1  -21    9   51 o  176.697   4.9488  212.573   11.830  208.415   17.130  216.365   16.359  175.021   7.2223  178.372   6.7676 -3.351303 9.897583 
1 1 1  -21    9   52 o  128.788   5.5181  112.321   9.5997  120.824   14.292  105.331   12.958  133.196   7.9179  124.381   7.6878 8.814545 11.03616 
1 1 1  -21    9   53 o  205.971   4.9921  287.656   13.905  304.281   20.485  273.451   18.936  211.460   7.1486  200.483   6.9699 10.97728 9.984119 
1 1 1  -21    9   54 o  188.701   5.0024  243.131   12.740  219.933   18.128  265.773   17.909  179.732   7.4427  197.669   6.6858 -17.93623 10.00470 
1 1 1  -21    9   55 o  115.688   7.1043   89.195   10.614   84.268   12.996   99.062   18.392  111.149   8.6285  120.228   11.289 -9.078354 14.20853 
1 1 1  -21    9   56 o  156.673   6.5213  168.784   13.007  171.055   15.938  164.252   22.509  158.481   7.4211  154.866   10.725 3.615021 13.04257 
1 1 1  -21    9   57 o  234.526   5.0285  374.708   15.971  368.532   22.894  380.562   22.290  232.618   7.2626  236.434   6.9568 -3.816330 10.05701 
1 1 1  -21    9   58 o  202.942   5.0467  280.419   13.869  283.116   20.046  277.942   19.208  203.860   7.2561  202.024   7.0161 1.835861 10.09342 
1 1 1  -21    9   59 o  242.116   5.0607  399.384   16.596  400.016   23.862  398.793   23.097  242.280   7.2678  241.951   7.0443 0.3288422 10.12144 
1 1 1  -21    9   60 o   62.681   10.101   28.793   8.2953   31.283   10.746   25.120   13.049   66.336   12.410   59.027   15.940 7.308891 20.20115 
1 1 1  -21    9   61 o   90.820   7.4843   53.631   8.9416   40.151   11.321   75.990   14.580   76.416   10.932  105.223   10.225 -28.80718 14.96850 
1 1 1  -21    9   62 o  126.394   5.5624  109.742   9.4702  101.549   13.824  116.988   13.000  121.856   8.3714  130.933   7.3266 -9.077164 11.12476 
1 1 1  -21    9   63 o  138.086   5.3756  130.157   10.029  131.714   14.804  128.837   13.634  138.807   7.8701  137.364   7.3245 1.443268 10.75118 
1 1 1  -21    9   64 o  224.155   6.1824  346.827   17.544  337.831   30.680  351.198   21.386  221.497   10.221  226.813   6.9580 -5.316254 12.36486 
1 1 1  -21    9   65 o  113.781   7.0511   88.280   10.196   91.836   17.985   86.596   12.377  115.136   11.527  112.425   8.1243 2.710381 14.10217 
1 1 1  -21    9   66 o   80.953   7.1468   45.161   7.7907   45.897   11.732   44.581   10.419   81.464   10.628   80.443   9.5581 1.020905 14.29358 
1 1 1  -21    9   67 o  102.354   8.2625   77.091   10.076   63.563   18.549   82.753   12.001   94.905   14.423  109.803   8.0654 -14.89754 16.52497 
1 1 1  -21    9   68 o  109.944   7.3917   80.165   10.056   93.036   19.061   75.201   11.838  115.328   12.196  104.560   8.3544 10.76845 14.78334 
1 1 1  -21    9   69 o  204.565   6.3263  286.693   16.521  282.323   20.163  295.621   28.820  202.836   7.3355  206.294   10.309 -3.458755 12.65251 
1 1 1  -21    9   70 o  117.170   7.3751   95.497   10.969   95.234   13.363   96.041   19.207  117.489   8.3931  116.852   12.129 0.6368332 14.75018 
1 1 1  -21    9   71 o  143.538   7.5304  146.048   14.416  128.524   21.485  160.399   19.442  135.120   11.734  151.956   9.4417 -16.83589 15.06075 
1 1 1  -21    9   72 o  134.336   6.8418  126.691   11.404  123.510   20.633  128.090   13.684  132.330   11.506  136.341   7.4066 -4.010773 13.68364 
1 1 1  -21    9   73 f  121.181   5.5320  101.482   9.0751  103.154   13.179   99.974   12.515  122.084   7.9661  120.278   7.6782 1.806320 11.06402 
1 1 1  -21    9   74 o   48.918   9.5681   17.842   6.5477   18.256   9.5749   17.479   8.9741   49.411   13.780   48.425   13.278 0.9860725 19.13628 
1 1 1  -21    9   75 o   66.165   8.0536   31.559   7.0610   34.129   10.192   29.187   9.7915   69.353   10.845   62.977   11.909 6.375618 16.10720 
1 1 1  -21    9   76 o   82.247   6.7378   47.374   7.4796   53.685   11.015   41.974   10.189   87.374   9.3030   77.120   9.7493 10.25414 13.47568 
1 1 1  -21    9   77 o   64.926   10.470   33.016   9.2875   23.865   13.761   40.672   12.586   55.071   16.859   74.782   12.420 -19.71083 20.94017 
1 1 1  -21    9   78 o   97.014   8.2875   68.639   10.826   62.409   15.637   74.376   15.005   92.322   12.498  101.705   10.887 -9.383064 16.57508 
1 1 1  -21    9   79 o   59.149   9.6294   24.141   8.8561   49.410   13.615   5.6071   11.660   82.038   12.246   36.259   14.864 45.77881 19.25880 
1 1 1  -21    9   80 o   64.020   10.509   32.590   8.9236   30.406   13.294   34.381   12.039   61.417   15.862   66.623   13.789 -5.206532 21.01752 
1 1 1  -21    9   81 o   79.143   9.4151   47.145   9.8466   53.375   14.840   42.245   13.161   84.372   12.979   73.913   13.643 10.45846 18.83019 
1 1 1  -21    9   82 o   75.938   14.582   45.552   14.461   45.552   14.461   0.0000   0.0000   75.938   14.582  ?   ?       ?      ? 
1 1 1  -21   10    1 o  108.591   6.4206   75.266   8.2633   90.456   16.964   70.541   9.4617  115.251   10.862  101.931   6.8499 13.32021 12.84130 
1 1 1  -21   10    2 f  142.301   7.6163  137.828   14.634  137.267   19.847  138.497   21.662  142.013   10.313  142.590   11.210 -0.5766449 15.23267 
1 1 1  -21   10    3 o  175.439   4.5078  208.793   10.706  222.220   15.327  196.000   14.961  180.950   6.2507  169.929   6.4970 11.02161 9.015661 
1 1 1  -21   10    4 o  104.008   4.8126   73.549   6.7607   71.977   9.9148   74.915   9.2427  102.959   7.1062  105.057   6.4922 -2.098282 9.625261 
1 1 1  -21   10    5 o  121.520   5.0322  100.634   8.2283  103.720   11.099   96.869   12.260  123.612   6.6260  119.427   7.5756 4.185547 10.06448 
1 1 1  -21   10    6 o  164.831   5.3372  184.306   11.922  184.306   11.922   0.0000   0.0000  164.831   5.3372  ?   ?       ?      ? 
1 1 1  -21   10    7 f  186.009   4.7027  232.479   11.036  228.458   13.304  241.349   19.761  183.516   5.3495  188.502   7.7359 -4.986526 9.405392 
1 1 1  -21   10    8 o  273.640   5.2791  512.590   17.781  518.414   21.179  498.682   32.728  276.427   5.6539  270.853   8.9167 5.573456 10.55811 
1 1 1  -21   10    9 o  480.349   7.2247  1614.79   42.149  1675.96   50.133  1467.31   77.846  496.784   7.4469  463.914   12.383 32.86957 14.44944 
1 1 1  -21   10   10 o  441.116   6.7710  1336.26   36.061  1352.25   42.431  1294.68   68.427  446.292   7.0158  435.940   11.583 10.35162 13.54195 
1 1 1  -21   10   11 o  431.483   6.7433  1304.78   35.476  1359.56   42.349  1175.87   64.960  447.502   6.9833  415.465   11.538 32.03656 13.48667 
1 1 1  -21   10   12 o  503.310   7.3696  1704.58   44.112  1683.89   51.151  1764.63   87.135  497.938   7.5805  508.682   12.641 -10.74429 14.73927 
1 1 1  -21   10   13 o  284.197   5.2624  524.463   18.217  496.178   21.229  603.476   35.481  270.424   5.7930  297.970   8.7870 -27.54547 10.52477 
1 1 1  -21   10   14 o  192.099   4.8492  250.873   11.754  251.499   14.240  249.535   20.822  192.543   5.4574  191.655   8.0171 0.8883362 9.698332 
1 1 1  -21   10   15 o  173.630   4.6792  196.523   10.351  182.326   12.454  228.246   18.616  163.934   5.6061  183.326   7.4935 -19.39273 9.358473 
1 1 1  -21   10   16 o  116.030   5.6307   91.339   8.8447   97.256   12.745   85.841   12.285  119.654   7.8599  112.406   8.0648 7.248436 11.26136 
1 1 1  -21   10   17 o  104.945   5.1245   75.846   7.0597   79.451   9.0565   70.262   11.271  108.201   6.1766  101.690   8.1787 6.510399 10.24899 
1 1 1  -21   10   18 f  179.887   4.9353  226.825   11.171  240.641   13.725  199.708   19.229  188.341   5.3776  171.434   8.2770 16.90695 9.870518 
1 1 1  -21   10   19 o  138.406   4.8729  130.876   8.6909  132.759   10.782  127.384   14.685  139.880   5.6879  136.932   7.9139 2.948425 9.745855 
1 1 1  -21   10   20 o  123.602   4.8267   98.848   7.7974   86.671   9.6103  122.309   13.339  113.004   6.2757  134.200   7.3350 -21.19621 9.653317 
1 1 1  -21   10   21 o  221.987   5.1393  343.587   14.209  358.676   17.225  311.456   25.135  229.925   5.5282  214.049   8.6654 15.87587 10.27863 
1 1 1  -21   10   22 o  244.326   5.6313  405.041   18.645  405.041   18.645   0.0000   0.0000  244.326   5.6313  ?   ?       ?      ? 
1 1 1  -21   10   23 o  259.742   5.2282  446.235   16.611  431.194   19.492  486.147   31.752  252.083   5.7058  267.401   8.7623 -15.31750 10.45635 
1 1 1  -21   10   24 o  265.030   5.3513  485.337   17.522  497.703   21.005  457.047   31.771  270.823   5.7233  259.238   9.0437 11.58530 10.70257 
1 1 1  -21   10   25 o  189.014   4.9802  242.084   11.844  241.174   14.291  244.079   21.163  188.528   5.5939  189.500   8.2413 -0.9717865 9.960401 
1 1 1  -21   10   26 o  140.970   4.9342  132.618   8.9550  127.755   10.964  142.363   15.520  137.201   5.8972  144.738   7.9125 -7.537476 9.868402 
1 1 1  -21   10   27 o  186.568   5.2870  251.003   12.255  279.980   15.172  196.597   20.789  203.129   5.5117  170.006   9.0239 33.12225 10.57397 
1 1 1  -21   10   28 o  325.463   5.7159  693.639   22.377  664.783   25.942  777.527   44.232  312.944   6.1172  337.982   9.6574 -25.03766 11.43177 
1 1 1  -21   10   29 o  164.107   5.2972  180.395   11.533  171.032   14.706  195.355   18.589  158.693   6.8384  169.522   8.0918 -10.82980 10.59440 
1 1 1  -21   10   30 o  116.009   5.8714   94.508   8.9309  111.117   11.987   73.785   13.390  127.904   6.9158  104.115   9.4902 23.78928 11.74271 
1 1 1  -21   10   31 o  210.863   5.5102  307.248   15.263  325.215   19.669  280.055   24.198  218.832   6.6326  202.894   8.8010 15.93794 11.02035 
1 1 1  -21   10   32 o  381.732   7.8579  994.873   40.583  929.601   57.377  1060.22   57.410  369.108   11.471  394.357   10.743 -25.24899 15.71586 
1 1 1  -21   10   33 o  247.619   5.9087  401.747   18.210  455.626   34.071  380.200   21.546  258.649   9.7205  236.589   6.7203 22.05943 11.81737 
1 1 1  -21   10   34 o   76.660   6.4413   39.487   6.6481   45.342   10.093   34.999   8.8357   81.614   9.1258   71.706   9.0929 9.908134 12.88261 
1 1 1  -21   10   35 o  380.572   5.6007  981.894   28.838  1040.40   42.258  930.900   39.453  391.141   7.9724  370.004   7.8684 21.13745 11.20138 
1 1 1  -21   10   36 o  469.777   6.3207  1499.77   40.201  1419.94   55.623  1587.08   58.170  456.699   8.9875  482.854   8.8899 -26.15503 12.64144 
1 1 1  -21   10   37 o  215.562   4.7920  316.270   13.963  290.689   19.762  341.769   19.731  206.818   7.0511  224.305   6.4911 -17.48744 9.584001 
1 1 1  -21   10   38 o  300.636   6.3709  607.435   24.274  593.280   29.345  638.107   43.197  295.415   7.3302  305.856   10.422 -10.44052 12.74170 
1 1 1  -21   10   39 o  297.319   6.3503  593.657   23.873  579.300   28.795  625.221   42.695  291.909   7.2793  302.728   10.407 -10.81998 12.70056 
1 1 1  -21   10   40 f  203.921   4.7976  282.692   13.241  280.720   19.174  284.489   18.308  203.224   6.9624  204.617   6.6026 -1.392288 9.595260 
1 1 1  -21   10   41 o  290.659   7.2939  574.463   28.729  574.463   28.729   0.0000   0.0000  290.659   7.2939  ?   ?       ?      ? 
1 1 1  -21   10   42 o  198.999   5.9282  271.672   14.847  263.999   26.260  275.278   18.000  196.735   9.8498  201.262   6.5998 -4.526154 11.85645 
1 1 1  -21   10   43 o  232.516   6.0727  378.805   17.827  337.807   30.594  399.880   21.935  222.478   10.148  242.554   6.6734 -20.07552 12.14538 
1 1 1  -21   10   44 f  216.427   4.9005  318.672   14.346  315.174   20.866  321.807   19.757  215.276   7.1526  217.578   6.7007 -2.302536 9.800960 
1 1 1  -21   10   45 o  270.280   5.0335  496.987   18.393  453.529   25.771  542.109   26.259  258.197   7.3654  282.363   6.8627 -24.16556 10.06704 
1 1 1  -21   10   46 o  133.460   5.1883  120.463   9.3521  130.195   13.937  112.491   12.614  138.327   7.4349  128.592   7.2384 9.734192 10.37652 
1 1 1  -21   10   47 o  187.159   4.8857  238.405   12.368  235.205   17.987  241.275   17.033  185.943   7.1385  188.375   6.6724 -2.431503 9.771321 
1 1 1  -21   10   48 o  140.539   6.4248  127.719   11.262  152.695   21.201  117.900   13.293  149.461   10.468  131.617   7.4528 17.84383 12.84968 
1 1 1  -21   10   49 o  280.978   5.2307  538.391   19.877  512.535   28.540  562.749   27.701  274.365   7.6760  287.591   7.1078 -13.22556 10.46144 
1 1 1  -21   10   50 o  245.556   5.0162  410.231   16.678  412.102   24.117  408.516   23.088  246.072   7.2322  245.040   6.9530 1.031967 10.03241 
1 1 1  -21   10   51 o  299.277   5.2271  609.167   21.183  624.903   30.690  594.850   29.275  302.949   7.4755  295.606   7.3079 7.342438 10.45418 
1 1 1  -21   10   52 o  233.136   4.9957  370.042   15.762  367.915   22.857  371.970   21.764  232.469   7.2555  233.804   6.8693 -1.335098 9.991412 
1 1 1  -21   10   53 o  166.124   5.1894  185.636   11.585  223.091   17.396  155.786   15.530  181.025   7.0915  151.223   7.5783 29.80231 10.37883 
1 1 1  -21   10   54 o  169.644   6.4671  199.574   13.969  205.730   17.201  187.647   23.940  173.796   7.3033  165.493   10.675 8.302887 12.93426 
1 1 1  -21   10   55 o  132.645   5.4782  120.583   9.7906  112.025   14.296  128.142   13.436  128.136   8.2331  137.153   7.2290 -9.016754 10.95640 
1 1 1  -21   10   56 o  126.955   5.5835  110.277   9.5557  106.301   14.106  113.649   12.990  124.785   8.3421  129.126   7.4236 -4.341301 11.16692 
1 1 1  -21   10   57 o  227.600   5.0403  353.271   15.535  343.869   22.182  362.322   21.763  224.596   7.2882  230.604   6.9642 -6.008224 10.08059 
1 1 1  -21   10   58 o   49.623   10.234   15.749   7.9146   6.1111   10.647   27.652   11.832   37.334   14.568   61.913   14.378 -24.57895 20.46815 
1 1 1  -21   10   59 o  127.691   6.3859  109.011   10.868   97.979   13.920  126.237   17.393  119.677   8.5828  135.704   9.4579 -16.02750 12.77174 
1 1 1  -21   10   60 o  152.805   5.2213  160.520   10.735  143.208   15.500  176.480   14.882  144.747   7.9020  160.862   6.8269 -16.11505 10.44260 
1 1 1  -21   10   61 o  152.931   5.2085  159.633   10.772  161.874   15.793  157.684   14.730  153.898   7.5728  151.964   7.1530 1.934525 10.41692 
1 1 1  -21   10   62 o  179.910   5.1320  220.092   12.479  237.210   18.484  205.755   16.915  186.292   7.3217  173.527   7.1933 12.76469 10.26409 
1 1 1  -21   10   63 o  156.262   6.4986  171.639   12.655  158.078   22.416  177.982   15.332  151.150   10.944  161.374   7.0112 -10.22377 12.99722 
1 1 1  -21   10   64 o  123.771   5.6233  105.285   9.3793  102.707   13.921  107.427   12.692  122.295   8.4002  125.247   7.4780 -2.952187 11.24656 
1 1 1  -21   10   65 o   95.545   8.3116   66.544   9.4077   57.278   17.698   70.194   11.107   89.995   14.512  101.094   8.1074 -11.09928 16.62321 
1 1 1  -21   10   66 o   80.335   10.049   47.574   10.276   41.610   16.374   51.450   13.199   74.768   16.594   85.903   11.339 -11.13432 20.09770 
1 1 1  -21   10   67 o   84.017   9.8580   51.690   10.543   47.009   16.840   54.708   13.521   79.547   16.173   88.487   11.276 -8.939865 19.71601 
1 1 1  -21   10   68 o  107.723   7.1498   75.452   10.025   62.647   12.262  101.265   17.409   95.012   9.5233  120.435   10.667 -25.42366 14.29950 
1 1 1  -21   10   69 o   53.382   9.2909   20.708   6.6395   24.021   10.141   18.223   8.7836   57.014   13.360   49.749   12.915 7.264973 18.58171 
1 1 1  -21   10   70 o   71.767   7.5343   35.667   7.2687   42.565   10.962   30.254   9.7101   77.940   10.379   65.593   10.924 12.34757 15.06859 
1 1 1  -21   10   71 o  123.689   5.4790  105.682   9.1635  107.647   13.461  103.984   12.509  124.688   7.9667  122.690   7.5239 1.997635 10.95797 
1 1 1  -21   10   72 o   70.506   7.3552   34.556   6.9759   39.501   10.673   30.866   9.2175   74.815   10.527   66.196   10.275 8.618294 14.71041 
1 1 1  -21   10   73 o   36.915   9.4196   8.7399   6.0169   7.9772   9.1708   9.3164   7.9727   36.620   13.706   37.211   12.926 -0.5913048 18.83916 
1 1 1  -21   10   74 o   64.208   7.9245   29.465   6.6524   37.938   10.014   22.771   8.9004   73.195   10.095   55.220   12.218 17.97535 15.84891 
1 1 1  -21   10   75 o   79.940   7.8718   46.171   8.3514   47.570   10.894   44.176   13.006   81.919   9.8130   77.961   12.311 3.957878 15.74352 
1 1 1  -21   10   76 o   76.358   9.4659   43.089   9.5388   49.894   14.470   37.860   12.685   82.291   12.976   70.426   13.785 11.86548 18.93173 
1 1 1  -21   10   77 o   69.422   10.132   37.113   9.1900   40.826   13.684   34.063   12.403   72.589   14.420   66.255   14.238 6.334068 20.26465 
1 1 1  -21   10   78 o   31.876   9.6783   1.4690   7.5546  -1.3927   11.404   3.7065   10.085   30.847   13.687   32.905   13.687 -2.058054 19.35659 
1 1 1  -21   10   79 o   78.156   9.3260   45.727   9.5999   54.038   14.546   39.314   12.778   85.128   12.609   71.183   13.744 13.94569 18.65196 
1 1 1  -21   10   80 o   67.804   15.446   37.138   13.876   37.138   13.876   0.0000   0.0000   67.804   15.446  ?   ?       ?      ? 
1 1 1  -21   11    1 f  127.894   4.5998  111.123   7.9674  107.029   11.288  115.186   11.247  125.540   6.6354  130.248   6.3720 -4.707603 9.199544 
1 1 1  -21   11    2 o  177.793   4.4599  214.610   10.745  213.705   15.152  215.526   15.240  177.416   6.3024  178.170   6.3120 -0.7537994 8.919771 
1 1 1  -21   11    3 o  107.051   4.8898   77.593   7.0760   85.707   10.301   70.343   9.7369  112.339   6.7665  101.762   7.0608 10.57683 9.779559 
1 1 1  -21   11    4 o  119.225   7.3732  104.403   9.9151  111.663   11.476   83.022   19.693  128.235   6.6038  110.215   13.185 18.01997 14.74635 
1 1 1  -21   11    5 o  199.438   4.5568  269.881   12.310  281.787   17.642  258.585   17.184  203.725   6.3902  195.150   6.4979 8.574188 9.113557 
1 1 1  -21   11    6 o  315.594   5.6201  678.784   21.637  681.175   25.568  672.751   40.613  316.791   5.9559  314.397   9.5325 2.394440 11.24016 
1 1 1  -21   11    7 o  302.263   7.3902  620.709   30.271  620.709   30.271   0.0000   0.0000  302.263   7.3902  ?   ?       ?      ? 
1 1 1  -21   11    8 o  110.977   7.9019   83.704   11.884   83.704   11.884   0.0000   0.0000  110.977   7.9019  ?   ?       ?      ? 
1 1 1  -21   11    9 o   99.613   5.2539   68.765   6.7727   72.382   8.5366   62.621   11.126  103.263   6.1004   95.964   8.5555 7.299110 10.50772 
1 1 1  -21   11   10 o  133.939   4.9682  125.715   8.4539  134.173   10.497  110.103   14.262  140.616   5.5086  127.262   8.2696 13.35409 9.936381 
1 1 1  -21   11   11 o  145.445   4.7077  140.464   8.7886  134.178   10.708  153.439   15.384  140.614   5.6194  150.275   7.5545 -9.660721 9.415326 
1 1 1  -21   11   12 o  101.874   5.5722   75.766   7.1152   90.189   9.1152   53.270   11.384  115.276   5.8350   88.473   9.4948 26.80313 11.14446 
1 1 1  -21   11   13 o   97.588   5.2684   65.190   6.7717   66.875   8.6775   62.567   10.829   99.246   6.4521   95.931   8.3302 3.314484 10.53672 
1 1 1  -21   11   14 o  291.945   5.9214  582.902   22.874  595.997   29.518  563.218   36.191  296.189   7.3541  287.702   9.2827 8.486420 11.84277 
1 1 1  -21   11   15 o  326.737   6.1678  723.094   26.521  713.787   33.603  738.469   43.189  324.101   7.6510  329.372   9.6762 -5.271027 12.33556 
1 1 1  -21   11   16 o  191.879   4.9805  256.319   12.037  268.127   14.737  232.645   20.866  198.779   5.4708  184.980   8.3242 13.79936 9.960997 
1 1 1  -21   11   17 o  133.440   5.1486  118.962   9.2109  107.931   12.004  134.754   14.363  126.055   7.0274  140.825   7.5264 -14.76935 10.29711 
1 1 1  -21   11   18 o   99.133   5.5960   66.991   7.4797   68.982   10.172   64.647   11.037  100.759   7.4495   97.507   8.3527 3.252350 11.19208 
1 1 1  -21   11   19 o  184.463   5.1582  229.124   12.621  221.579   16.144  240.984   20.242  180.638   6.5949  188.288   7.9332 -7.650772 10.31645 
1 1 1  -21   11   20 o  127.477   6.8983  110.377   11.917  110.377   11.917   0.0000   0.0000  127.477   6.8983  ?   ?       ?      ? 
1 1 1  -21   11   21 o   89.763   8.0929   54.781   9.8443   54.781   9.8443   0.0000   0.0000   89.763   8.0929  ?   ?       ?      ? 
1 1 1  -21   11   22 o  193.213   5.4070  260.404   13.730  289.599   18.038  220.190   21.170  206.513   6.4456  179.913   8.6832 26.60002 10.81407 
1 1 1  -21   11   23 o  294.587   5.9750  605.057   23.060  660.966   29.934  523.444   36.166  311.913   7.0818  277.261   9.6256 34.65179 11.95003 
1 1 1  -21   11   24 o  221.494   4.9594  313.494   13.703  286.031   16.146  384.217   25.910  205.275   5.8043  237.714   8.0432 -32.43889 9.918815 
1 1 1  -21   11   25 o  261.187   5.4639  482.846   17.678  515.524   21.500  414.630   31.063  275.584   5.7570  246.791   9.2883 28.79274 10.92774 
1 1 1  -21   11   26 o  335.789   5.7793  733.752   23.278  698.572   26.909  838.380   46.406  320.750   6.1908  350.828   9.7610 -30.07855 11.55869 
1 1 1  -21   11   27 o  238.709   5.3580  404.457   15.860  434.480   19.343  342.857   27.707  252.998   5.6418  224.420   9.1105 28.57822 10.71594 
1 1 1  -21   11   28 o  160.511   4.9976  173.248   10.269  169.639   12.542  180.590   17.888  158.073   5.8551  162.949   8.1007 -4.875488 9.995114 
1 1 1  -21   11   29 o  182.447   5.0579  227.314   11.662  229.296   14.172  223.158   20.526  183.785   5.6903  181.109   8.3635 2.675797 10.11573 
1 1 1  -21   11   30 o  155.795   5.5058  163.669   11.567  151.386   15.454  179.319   17.444  149.214   7.6425  162.376   7.9275 -13.16257 11.01150 
1 1 1  -21   11   31 o  160.480   5.5980  175.634   12.105  180.007   16.389  170.387   17.955  162.719   7.4326  158.240   8.3729 4.479401 11.19597 
1 1 1  -21   11   32 o  158.272   5.5339  173.956   11.578  191.480   15.301  150.487   17.708  167.871   6.7262  148.673   8.7893 19.19775 11.06770 
1 1 1  -21   11   33 o   48.990   8.7053   16.956   5.6659   17.307   9.1207   16.736   7.2303   49.431   13.317   48.548   11.216 0.8833122 17.41058 
1 1 1  -21   11   34 o  205.788   4.6989  286.032   13.062  310.508   19.438  265.879   17.638  213.761   6.7103  197.815   6.5797 15.94620 9.397859 
1 1 1  -21   11   35 o  179.546   4.7338  218.988   11.490  220.292   16.866  217.859   15.697  180.027   6.9132  179.065   6.4686 0.9616241 9.467630 
1 1 1  -21   11   36 o  247.220   6.9528  416.912   23.281  419.897   32.465  413.752   33.403  248.160   9.6537  246.280   10.009 1.880249 13.90560 
1 1 1  -21   11   37 o  276.584   7.1710  522.262   26.859  544.101   37.966  500.382   38.003  282.418   9.9203  270.751   10.358 11.66626 14.34203 
1 1 1  -21   11   38 o  303.461   6.2575  631.690   24.178  614.747   41.843  640.182   29.623  300.091   10.289  306.830   7.1245 -6.738617 12.51504 
1 1 1  -21   11   39 o  241.521   4.8733  397.390   15.918  377.973   22.859  415.667   22.178  235.750   7.1552  247.292   6.6181 -11.54178 9.746614 
1 1 1  -21   11   40 f  104.784   5.6505   76.033   7.8603   66.873   11.936   83.047   10.445   99.056   8.8922  110.511   6.9743 -11.45434 11.30099 
1 1 1  -21   11   41 o  119.627   5.3215   95.851   8.5564  110.518   13.148   85.075   11.269  127.435   7.6134  111.820   7.4371 15.61546 10.64301 
1 1 1  -21   11   42 o  184.677   4.8313  232.381   12.051  225.613   17.627  238.319   16.512  182.117   7.1425  187.237   6.5077 -5.120544 9.662517 
1 1 1  -21   11   43 o  212.695   4.8491  307.543   13.953  309.814   20.363  305.533   19.158  213.413   7.0409  211.977   6.6694 1.436935 9.698172 
1 1 1  -21   11   44 o  195.123   4.9883  258.595   13.156  264.607   19.404  253.479   17.898  197.195   7.2611  193.051   6.8416 4.144791 9.976512 
1 1 1  -21   11   45 o  218.175   4.9558  322.922   14.620  337.193   21.557  310.766   19.895  222.609   7.1459  213.742   6.8686 8.866913 9.911624 
1 1 1  -21   11   46 o  191.185   6.0670  248.756   14.465  250.393   26.242  248.042   17.336  191.403   10.117  190.967   6.6990 0.4365082 12.13391 
1 1 1  -21   11   47 f  115.558   6.8186   88.395   9.7130   98.032   18.385   84.663   11.440  119.613   11.343  111.502   7.5710 8.110313 13.63718 
1 1 1  -21   11   48 o  143.469   5.1772  140.161   10.027  139.889   14.836  140.390   13.604  143.310   7.6396  143.627   6.9893 -0.3174744 10.35442 
1 1 1  -21   11   49 o  176.717   5.0111  213.091   11.966  204.236   17.363  221.102   16.514  173.175   7.3987  180.259   6.7605 -7.084396 10.02227 
1 1 1  -21   11   50 o  243.798   7.2328  404.768   23.896  404.768   23.896   0.0000   0.0000  243.798   7.2328  ?   ?       ?      ? 
1 1 1  -21   11   51 o  168.251   5.0598  192.180   11.510  201.682   16.989  184.118   15.649  172.067   7.2861  164.435   7.0227 7.631821 10.11955 
1 1 1  -21   11   52 o   94.439   9.0642   67.548   10.099   77.812   12.519   48.422   17.090  106.742   8.6550   82.136   15.929 24.60667 18.12836 
1 1 1  -21   11   53 o  235.457   6.2382  370.227   18.703  354.547   22.620  404.107   33.251  228.072   7.3189  242.842   10.104 -14.76942 12.47639 
1 1 1  -21   11   54 o  159.959   5.9990  175.894   12.691  179.959   16.369  169.768   20.093  162.445   7.4361  157.473   9.4158 4.972778 11.99804 
1 1 1  -21   11   55 o  101.471   7.3597   73.049   9.7697   84.292   12.962   58.261   14.866  111.024   8.6152   91.917   11.935 19.10770 14.71946 
1 1 1  -21   11   56 o  160.880   5.1837  177.010   11.272  169.790   16.327  183.585   15.581  157.689   7.6403  164.070   7.0077 -6.381302 10.36738 
1 1 1  -21   11   57 o  134.079   5.5936  125.402   9.9209   96.645   14.282  152.219   13.792  118.766   8.8737  149.393   6.8125 -30.62627 11.18718 
1 1 1  -21   11   58 o  183.788   5.0998  229.270   12.660  249.259   18.848  212.838   17.089  191.029   7.2810  176.548   7.1428 14.48048 10.19961 
1 1 1  -21   11   59 o  166.741   5.1705  191.128   11.602  167.266   16.543  214.226   16.275  156.338   7.8084  177.144   6.7798 -20.80618 10.34107 
1 1 1  -21   11   60 o  117.857   6.0428   98.838   9.2813   72.627   13.712  120.998   12.608  102.654   9.8572  133.059   6.9925 -30.40488 12.08555 
1 1 1  -21   11   61 o  173.524   6.3479  204.459   13.789  214.236   25.061  200.214   16.513  175.975   10.509  171.074   7.1230 4.900909 12.69573 
1 1 1  -21   11   62 o  108.284   10.649   81.302   15.627   0.0000   0.0000   81.302   15.627  ?   ?   108.284   10.649      ?      ? 
1 1 1  -21   11   63 o  167.531   6.5659  199.263   13.518  180.307   24.387  207.671   16.242  160.906   11.184  174.156   6.8819 -13.24925 13.13179 
1 1 1  -21   11   64 o   66.145   8.4025   31.855   7.1709   27.389   11.031   35.124   9.4370   61.107   13.664   71.183   9.7831 -10.07641 16.80503 
1 1 1  -21   11   65 o   92.158   6.4212   59.827   7.8689   50.441   11.644   67.717   10.675   85.157   10.090   99.158   7.9447 -14.00007 12.84249 
1 1 1  -21   11   66 o  147.046   6.5468  148.450   12.408  144.918   15.269  155.318   21.291  145.013   7.7700  149.079   10.539 -4.065628 13.09355 
1 1 1  -21   11   67 o  133.663   6.7089  123.026   11.652  119.645   14.467  129.271   19.660  131.560   8.1145  135.766   10.686 -4.205902 13.41781 
1 1 1  -21   11   68 o  156.158   5.1500  166.922   10.854  182.178   16.268  154.682   14.572  162.502   7.3875  149.813   7.1775 12.68927 10.30007 
1 1 1  -21   11   69 f  118.354   5.6354   97.965   8.9508   85.989   12.984  108.812   12.356  111.173   8.6181  125.535   7.2634 -14.36185 11.27072 
1 1 1  -21   11   70 o   55.543   8.9203   22.426   6.5687   29.147   10.030   17.378   8.6923   62.858   12.215   48.228   13.003 14.62998 17.84054 
1 1 1  -21   11   71 o   52.343   9.0494   21.035   6.4474   15.847   9.6447   25.227   8.6692   46.100   14.114   58.585   11.329 -12.48552 18.09883 
1 1 1  -21   11   72 o   43.695   8.9453   14.090   6.1645   5.5290   9.0892   21.382   8.3887   33.848   13.383   53.541   11.873 -19.69221 17.89051 
1 1 1  -21   11   73 o   49.496   9.9390   19.017   7.0127   21.114   9.2042   16.116   10.827   52.697   12.975   46.295   15.059 6.401329 19.87803 
1 1 1  -21   11   74 o   99.950   8.0884   70.037   10.760   91.199   16.942   55.732   13.930  112.367   11.126   87.533   11.743 24.83449 16.17684 
1 1 1  -21   11   75 o   36.496   10.420   6.3909   7.8087   7.1107   12.476   5.9273   10.012   38.149   15.475   34.843   13.958 3.306427 20.83964 
1 1 1  -21   11   76 o   27.333   8.7897  -6.7552   7.0490   2.2252   11.394 -12.3241   8.9722   33.226   14.218   21.439   10.338 11.78621 17.57941 
1 1 1  -21   11   77 o   80.191   9.2315   47.564   9.7120   57.661   15.220   40.629   12.614   87.759   12.798   72.623   13.308 15.13605 18.46295 
1 1 1  -21   11   78 o   53.089   11.071   22.295   8.4643   28.052   13.169   18.242   11.049   58.329   16.122   47.850   15.178 10.47831 22.14261 
1 1 1  -21   12    1 o  126.767   7.1611  112.392   10.216  114.769   11.647  104.464   21.272  129.974   6.6129  123.560   12.704 6.413979 14.32223 
1 1 1  -21   12    2 o  152.402   6.4469  151.612   11.519  145.519   13.176  171.370   23.727  146.354   6.6436  158.450   11.050 -12.09605 12.89372 
1 1 1  -21   12    3 o   83.582   5.5267   47.498   6.2489   47.681   9.1188   47.336   8.5804   83.725   8.0370   83.440   7.5884 0.2858124 11.05341 
1 1 1  -21   12    4 o   92.314   5.3927   58.533   6.6761   50.747   9.6759   65.608   9.2233   86.367   8.2673   98.261   6.9266 -11.89426 10.78547 
1 1 1  -21   12    5 o  100.441   5.1641   67.930   6.9888   78.917   10.422   58.953   9.4207  107.759   7.1373   93.124   7.4651 14.63525 10.32810 
1 1 1  -21   12    6 o  120.278   5.4025   99.416   8.6915  106.726   11.676   90.331   13.017  125.330   6.8745  115.227   8.3361 10.10280 10.80509 
1 1 1  -21   12    7 f  240.837   5.1438  399.500   15.300  407.372   18.310  381.281   27.855  244.981   5.5154  236.693   8.6842 8.287186 10.28762 
1 1 1  -21   12    8 o  178.681   4.8245  216.450   10.875  215.643   13.153  218.193   19.335  178.244   5.4453  179.118   7.9655 -0.8737946 9.648916 
1 1 1  -21   12    9 o  160.294   4.8856  177.776   9.9276  184.088   12.186  165.319   17.119  164.686   5.4602  155.902   8.1032 8.784119 9.771162 
1 1 1  -21   12   10 o  200.097   4.8550  267.113   12.162  259.529   14.531  284.851   22.223  195.540   5.4838  204.654   8.0132 -9.113785 9.710007 
1 1 1  -21   12   11 o  195.383   5.0822  268.304   12.361  283.729   15.041  236.208   21.696  204.457   5.4285  186.310   8.5933 18.14677 10.16431 
1 1 1  -21   12   12 o  159.075   5.4243  171.628   11.619  168.451   15.518  175.682   17.530  157.431   7.2738  160.719   8.0489 -3.287796 10.84867 
1 1 1  -21   12   13 o  198.845   7.0516  268.685   19.001  268.685   19.001   0.0000   0.0000  198.845   7.0516  ?   ?       ?      ? 
1 1 1  -21   12   14 o  232.149   5.6775  365.853   17.861  365.853   17.861   0.0000   0.0000  232.149   5.6775  ?   ?       ?      ? 
1 1 1  -21   12   15 o  115.913   5.3251   93.867   7.9382  100.338   9.9858   82.757   13.085  121.559   6.0620  110.267   8.7566 11.29156 10.65015 
1 1 1  -21   12   16 o  103.335   5.4956   75.435   7.2997   83.460   9.2927   62.505   11.796  110.859   6.1857   95.812   9.0854 15.04689 10.99121 
1 1 1  -21   12   17 o   91.371   5.6456   57.919   6.7544   61.822   8.6872   51.953   10.741   95.392   6.7202   87.351   9.0735 8.041336 11.29116 
1 1 1  -21   12   18 o   85.195   7.2055   49.333   8.3188   49.333   8.3188   0.0000   0.0000   85.195   7.2055  ?   ?       ?      ? 
1 1 1  -21   12   19 o  137.028   5.8910  127.491   10.939  127.491   10.939   0.0000   0.0000  137.028   5.8910  ?   ?       ?      ? 
1 1 1  -21   12   20 o  142.030   5.0039  136.499   9.1215  135.244   11.200  138.971   15.718  141.133   5.8563  142.927   8.1153 -1.794113 10.00770 
1 1 1  -21   12   21 o  137.606   5.0013  126.466   8.9052  121.502   10.961  136.104   15.273  133.760   6.0472  141.453   7.9677 -7.692780 10.00259 
1 1 1  -21   12   22 o  287.452   5.5668  574.901   19.756  594.711   23.734  530.205   35.650  295.940   5.9181  278.963   9.4305 16.97687 11.13362 
1 1 1  -21   12   23 o  270.725   5.2719  469.899   17.448  436.172   20.315  564.736   34.066  253.440   5.9151  288.010   8.7283 -34.57019 10.54385 
1 1 1  -21   12   24 o  138.218   5.4157  136.872   9.4786  154.277   11.972  107.637   15.516  150.730   5.8612  125.707   9.1085 25.02270 10.83138 
1 1 1  -21   12   25 o  222.100   5.1824  337.216   14.427  340.255   17.411  330.557   25.771  223.854   5.7396  220.347   8.6305 3.507462 10.36477 
1 1 1  -21   12   26 o  241.168   5.1907  386.824   15.550  374.474   18.454  417.076   28.881  234.832   5.7988  247.504   8.6108 -12.67142 10.38134 
1 1 1  -21   12   27 f  216.783   5.4268  336.363   14.651  368.634   18.054  274.111   25.074  232.997   5.7178  200.570   9.2253 32.42799 10.85355 
1 1 1  -21   12   28 o  283.606   5.9013  533.184   21.981  493.311   27.437  604.643   36.730  269.315   7.5178  297.897   9.0985 -28.58298 11.80252 
1 1 1  -21   12   29 o  117.540   7.9880   94.403   11.631   94.481   21.309   94.370   13.882  117.368   13.398  117.712   8.7024 -0.3435745 15.97610 
1 1 1  -21   12   30 o  316.841   6.3127  697.960   26.347  756.260   34.397  615.198   40.983  333.416   7.6129  300.267   10.072 33.14981 12.62537 
1 1 1  -21   12   31 o  315.454   9.7776  678.807   41.798   0.0000   0.0000  678.807   41.798  ?   ?   315.454   9.7776      ?      ? 
1 1 1  -21   12   32 o  260.891   5.5786  477.625   18.151  502.846   22.090  425.190   31.850  272.071   5.9913  249.711   9.4121 22.35973 11.15727 
1 1 1  -21   12   33 o  188.898   5.1555  240.070   12.349  235.364   14.949  250.186   21.915  186.139   5.9263  191.658   8.4377 -5.519409 10.31096 
1 1 1  -21   12   34 o   84.154   6.4288   47.405   7.1844   44.188   9.1564   52.557   11.589   80.546   8.3888   87.763   9.7440 -7.217499 12.85758 
1 1 1  -21   12   35 o  139.717   6.2620  132.660   11.856  132.660   11.856   0.0000   0.0000  139.717   6.2620  ?   ?       ?      ? 
1 1 1  -21   12   36 o  200.739   6.9932  274.066   19.023  274.066   19.023   0.0000   0.0000  200.739   6.9932  ?   ?       ?      ? 
1 1 1  -21   12   37 o  191.549   4.8202  248.294   12.467  263.445   18.614  235.967   16.789  196.806   6.9792  186.292   6.6504 10.51341 9.640427 
1 1 1  -21   12   38 f  205.075   4.8694  285.189   13.486  295.920   20.055  276.329   18.222  208.562   7.0957  201.587   6.6703 6.974701 9.738744 
1 1 1  -21   12   39 o  159.678   4.9956  173.176   10.765  176.568   16.036  170.395   14.524  161.073   7.3468  158.284   6.7713 2.788422 9.991277 
1 1 1  -21   12   40 o   95.913   6.1943   63.585   7.8555   58.448   12.264   67.159   10.229   92.508   9.7833   99.318   7.6003 -6.810646 12.38864 
1 1 1  -21   12   41 o   73.976   6.9865   35.963   6.8603   47.838   10.920   28.220   8.8177   83.695   9.6280   64.256   10.126 19.43879 13.97292 
1 1 1  -21   12   42 o  190.482   4.8484  245.693   12.459  258.647   18.692  235.336   16.714  194.953   7.0753  186.010   6.6307 8.943390 9.696727 
1 1 1  -21   12   43 f  178.566   7.2583  217.066   17.564  217.066   17.564   0.0000   0.0000  178.566   7.2583  ?   ?       ?      ? 
1 1 1  -21   12   44 o  189.414   4.9486  244.465   12.643  241.245   18.737  247.156   17.132  188.225   7.3459  190.604   6.6326 -2.379211 9.897118 
1 1 1  -21   12   45 o  117.495   7.4740  105.044   10.138   73.148   18.615  118.493   12.088  103.035   13.332  131.956   6.7599 -28.92006 14.94809 
1 1 1  -21   12   46 o  112.111   5.6894   83.901   8.5453  103.403   13.154   69.663   11.240  123.159   7.8817  101.062   8.2072 22.09704 11.37889 
1 1 1  -21   12   47 o  166.584   5.0503  190.409   11.315  170.061   16.390  208.939   15.641  157.953   7.6571  175.215   6.5873 -17.26208 10.10065 
1 1 1  -21   12   48 o  186.566   4.9839  237.170   12.561  236.076   18.487  238.109   17.120  186.126   7.3294  187.006   6.7554 -0.8797913 9.967716 
1 1 1  -21   12   49 o  178.161   5.0170  215.645   12.065  223.168   17.995  209.500   16.262  180.941   7.3390  175.381   6.8425 5.559662 10.03400 
1 1 1  -21   12   50 o  154.263   7.6046  162.336   15.897  162.336   15.897   0.0000   0.0000  154.263   7.6046  ?   ?       ?      ? 
1 1 1  -21   12   51 o  122.969   8.1796  103.308   13.630  103.308   13.630   0.0000   0.0000  122.969   8.1796  ?   ?       ?      ? 
1 1 1  -21   12   52 o   81.671   7.8699   46.561   8.5852   52.009   11.702   40.211   12.634   87.051   9.9198   76.291   12.220 10.75977 15.73981 
1 1 1  -21   12   53 o  132.320   5.3872  119.041   9.6179  125.309   14.420  114.018   12.909  135.409   7.8585  129.231   7.3710 6.177872 10.77441 
1 1 1  -21   12   54 o  114.389   5.7528   90.494   8.8030   82.038   13.158   97.346   11.844  109.393   8.8761  119.385   7.3209 -9.992004 11.50567 
1 1 1  -21   12   55 o  122.808   5.5649  101.523   9.1856  118.848   14.070   88.656   12.126  131.789   7.8785  113.827   7.8613 17.96178 11.12971 
1 1 1  -21   12   56 o   69.246   8.0922   34.776   7.1532   28.452   10.980   39.439   9.4288   62.741   13.325   75.750   9.1852 -13.00923 16.18436 
1 1 1  -21   12   57 o   74.429   8.8938   40.681   8.4480   50.498   11.526   29.285   12.418   85.560   9.9411   63.297   14.750 22.26321 17.78765 
1 1 1  -21   12   58 o   55.885   9.8956   26.395   8.0048   5.0301   15.715   33.881   9.3019   41.713   17.195   70.056   9.7981 -28.34354 19.79111 
1 1 1  -21   12   59 o   62.315   10.601   34.381   8.3866   10.536   18.790   40.314   9.3719   48.151   19.177   76.478   9.0430 -28.32674 21.20235 
1 1 1  -21   12   60 o   74.007   9.4408   37.861   9.4681   0.0000   0.0000   37.861   9.4681  ?   ?    74.007   9.4408      ?      ? 
1 1 1  -21   12   61 o   71.627   7.8007   37.599   7.0571   30.375   10.974   42.694   9.2154   64.591   12.987   78.663   8.6449 -14.07191 15.60145 
1 1 1  -21   12   62 o   40.975   8.9090   11.605   6.1453   1.6540   9.5953   18.525   8.0018   31.559   13.256   50.391   11.907 -18.83178 17.81808 
1 1 1  -21   12   63 o   76.448   7.0306   40.090   7.1852   44.463   11.321   37.141   9.2976   79.770   10.473   73.126   9.3825 6.644157 14.06122 
1 1 1  -21   12   64 f   56.793   9.0198   23.967   6.7244   22.156   10.288   25.318   8.8852   54.567   13.880   59.019   11.523 -4.452312 18.03968 
1 1 1  -21   12   65 o   35.418   10.175   4.4361   7.3852   3.3051   9.2327   6.4454   12.306   32.293   13.231   38.544   15.462 -6.250751 20.35002 
1 1 1  -21   12   66 f   99.768   5.9687   69.310   8.0346   67.433   11.828   70.919   10.948   98.381   8.8719  101.155   7.9868 -2.774597 11.93734 
1 1 1  -21   12   67 o   84.378   6.5571   50.307   7.4090   45.955   11.040   53.872   9.9936   80.779   10.086   87.978   8.3823 -7.199326 13.11417 
1 1 1  -21   12   68 o   37.187   8.3088   5.0371   5.8402   20.130   9.0113  -5.8938   7.6687   51.771   12.893   22.603   10.484 29.16780 16.61763 
1 1 1  -21   12   69 o   47.914   9.3216   17.152   6.2027   18.914   9.4368   15.811   8.2303   49.927   13.586   45.900   12.767 4.027481 18.64315 
1 1 1  -21   12   70 o   57.683   8.6680   24.546   6.5205   28.444   10.024   21.686   8.5853   61.604   12.435   53.763   12.079 7.841442 17.33592 
1 1 1  -21   12   71 o   62.309   9.3808   29.581   7.6407   29.612   10.253   29.543   11.458   62.701   12.505   61.917   13.986 0.7844963 18.76156 
1 1 1  -21   12   72 o   79.827   9.7808   50.668   9.8251   36.890   15.070   60.856   12.958   67.614   16.575   92.041   10.389 -24.42718 19.56159 
1 1 1  -21   12   73 o   60.719   11.025   29.045   8.9849   32.757   14.217   26.576   11.594   63.485   16.407   57.952   14.731 5.532753 22.04977 
1 1 1  -21   12   74 o  120.811   7.8033  108.112   12.511   93.970   18.776  119.403   16.778  112.542   12.311  129.081   9.5914 -16.53835 15.60666 
1 1 1  -21   12   75 o   95.467   9.3046   72.622   10.927   51.176   16.580   89.087   14.527   79.620   15.923  111.314   9.6306 -31.69353 18.60915 
1 1 1  -21   12   76 o   61.508   10.963   30.754   9.0179   31.473   14.221   30.270   11.663   61.346   16.671   61.670   14.243 -0.3239365 21.92668 
1 1 1  -21   13    1 o  290.707   5.8457  568.344   22.010  552.103   27.186  599.244   37.499  284.948   7.0404  296.467   9.3338 -11.51944 11.69135 
1 1 1  -21   13    2 o  207.516   5.4065  295.884   14.723  305.289   18.792  280.935   23.693  211.944   6.5430  203.089   8.6088 8.854416 10.81308 
1 1 1  -21   13    3 o  114.205   5.6298   89.064   8.5941   90.642   11.318   86.915   13.208  115.449   7.2341  112.962   8.6283 2.486275 11.25961 
1 1 1  -21   13    4 o  195.368   5.2852  259.312   13.606  258.263   17.312  261.006   22.006  194.940   6.5533  195.796   8.2939 -0.8557434 10.57044 
1 1 1  -21   13    5 f  135.890   5.3730  126.207   9.7450  129.191   12.808  122.106   15.017  137.857   6.8559  133.924   8.2747 3.933136 10.74590 
1 1 1  -21   13    6 o  189.166   5.3932  247.607   13.455  264.533   17.510  223.200   21.026  197.296   6.5491  181.036   8.5707 16.25951 10.78645 
1 1 1  -21   13    7 o  217.285   5.4542  324.299   15.612  335.262   20.060  307.458   24.863  222.100   6.6651  212.470   8.6354 9.630020 10.90843 
1 1 1  -21   13    8 o  190.747   5.4561  252.546   13.733  274.634   18.006  221.829   21.234  201.023   6.6099  180.470   8.6824 20.55374 10.91213 
1 1 1  -21   13    9 o  225.592   6.7241  349.853   20.197  330.261   31.138  364.082   26.536  219.950   10.447  231.234   8.4684 -11.28413 13.44811 
1 1 1  -21   13   10 o  152.607   6.9061  161.551   13.674  148.922   22.405  169.047   17.262  147.616   11.200  157.598   8.0829 -9.982300 13.81227 
1 1 1  -21   13   11 o  141.271   5.5313  137.675   10.410  148.756   13.877  123.417   15.741  147.926   6.9226  134.617   8.6288 13.30934 11.06252 
1 1 1  -21   13   12 o  220.544   5.5295  335.052   16.089  350.691   20.803  311.775   25.379  227.145   6.7582  213.944   8.7538 13.20119 11.05906 
1 1 1  -21   13   13 o  192.466   5.3418  245.991   13.631  225.144   17.279  280.347   22.181  181.978   7.0066  202.954   8.0651 -20.97632 10.68356 
1 1 1  -21   13   14 o  204.225   5.4747  287.277   14.771  301.216   19.156  266.834   23.198  210.516   6.7147  197.935   8.6487 12.58144 10.94930 
1 1 1  -21   13   15 o  178.214   5.3033  212.041   12.578  196.355   16.092  236.671   20.165  169.945   6.9876  186.482   7.9795 -16.53656 10.60655 
1 1 1  -21   13   16 o  141.689   7.1164  136.507   13.664  136.507   13.664   0.0000   0.0000  141.689   7.1164  ?   ?       ?      ? 
1 1 1  -21   13   17 o  202.296   5.3892  275.397   14.427  265.068   18.353  292.099   23.338  197.463   6.8587  207.128   8.3146 -9.664490 10.77841 
1 1 1  -21   13   18 o  107.786   6.0622   78.598   8.8251   71.607   11.938   87.020   13.104  102.535   8.5918  113.036   8.5547 -10.50053 12.12447 
1 1 1  -21   13   19 o  216.321   10.454  319.526   30.646  319.526   30.646   0.0000   0.0000  216.321   10.454  ?   ?       ?      ? 
1 1 1  -21   13   20 o  280.310   6.0607  533.790   23.022  533.790   23.022   0.0000   0.0000  280.310   6.0607  ?   ?       ?      ? 
1 1 1  -21   13   21 o  243.137   5.2503  390.279   15.817  373.947   18.696  431.405   29.667  234.632   5.8800  251.642   8.6999 -17.01009 10.50059 
1 1 1  -21   13   22 o  143.212   5.1775  140.184   9.5658  141.759   11.874  137.273   16.146  144.450   6.0659  141.973   8.3924 2.477570 10.35505 
1 1 1  -21   13   23 o  139.272   5.0780  126.181   9.1891  113.254   11.254  152.034   15.916  129.089   6.4335  149.455   7.8583 -20.36597 10.15594 
1 1 1  -21   13   24 o  107.532   5.8470   82.647   8.0339   93.967   10.275   64.842   12.887  117.582   6.4485   97.482   9.7553 20.10059 11.69395 
1 1 1  -21   13   25 o  122.120   5.3678  100.152   8.5818   96.533   10.733  106.566   14.290  119.163   6.6465  125.077   8.4306 -5.914093 10.73551 
1 1 1  -21   13   26 o  122.045   5.9766  101.176   9.8698   95.765   13.524  107.341   14.436  118.567   8.4173  125.523   8.4869 -6.956276 11.95316 
1 1 1  -21   13   27 o  132.675   5.9016  120.178   10.584  125.037   14.658  114.884   15.299  135.514   7.9817  129.836   8.6952 5.677505 11.80316 
1 1 1  -21   13   28 o  207.543   5.2411  295.473   13.679  299.596   16.576  286.669   24.221  210.000   5.8247  205.086   8.7150 4.914429 10.48224 
1 1 1  -21   13   29 o  151.354   5.3418  158.332   10.416  164.183   13.002  147.849   17.403  155.431   6.1729  147.277   8.7198 8.153397 10.68361 
1 1 1  -21   13   30 o  206.475   5.2470  289.965   13.744  289.660   16.720  290.602   24.138  206.466   5.9757  206.484   8.6263 -0.1727295E-01 10.49392 
1 1 1  -21   13   31 o  202.409   5.3671  283.883   13.850  294.474   17.103  263.708   23.606  208.162   6.0631  196.657   8.8578 11.50500 10.73418 
1 1 1  -21   13   32 o  329.383   6.4111  737.600   28.617  737.600   28.617   0.0000   0.0000  329.383   6.4111  ?   ?       ?      ? 
1 1 1  -21   13   33 o  185.572   6.1781  234.077   15.536  234.077   15.536   0.0000   0.0000  185.572   6.1781  ?   ?       ?      ? 
1 1 1  -21   13   34 o  220.408   5.3088  327.849   14.754  322.967   17.789  338.603   26.405  217.990   6.0220  222.825   8.7446 -4.835709 10.61755 
1 1 1  -21   13   35 o  172.314   5.3288  204.325   11.723  208.817   14.434  195.619   20.093  175.273   6.0768  169.355   8.7553 5.918594 10.65754 
1 1 1  -21   13   36 o  224.373   5.2281  323.904   14.601  298.065   17.197  390.634   27.637  209.401   6.0604  239.346   8.5207 -29.94496 10.45612 
1 1 1  -21   13   37 o  221.649   5.4288  342.622   15.072  356.828   18.344  313.114   26.438  229.126   5.9081  214.172   9.1094 14.95386 10.85755 
1 1 1  -21   13   38 o  122.460   5.6223  100.185   9.0453   94.463   11.327  110.255   15.027  117.802   7.0956  127.118   8.7233 -9.316383 11.24469 
1 1 1  -21   13   39 o  107.668   6.1450   81.570   8.6041   89.961   11.098   68.925   13.623  114.951   7.1241  100.384   10.015 14.56715 12.29007 
1 1 1  -21   13   40 o  137.664   5.1583  130.258   9.5150  119.333   14.190  139.183   12.826  132.308   7.9144  143.020   6.6176 -10.71124 10.31652 
1 1 1  -21   13   41 o  195.002   7.2076  258.991   19.046  258.991   19.046   0.0000   0.0000  195.002   7.2076  ?   ?       ?      ? 
1 1 1  -21   13   42 o  145.745   5.2248  145.973   10.183  136.122   15.406  153.616   13.570  141.265   8.0476  150.226   6.6656 -8.960815 10.44964 
1 1 1  -21   13   43 o  104.245   7.3059   76.221   9.1389   70.642   17.279   78.387   10.768  101.248   12.594  107.243   7.4096 -5.995010 14.61180 
1 1 1  -21   13   44 o  144.131   5.1942  143.671   9.9954  123.349   14.712  161.095   13.622  134.435   8.0754  153.826   6.5350 -19.39084 10.38838 
1 1 1  -21   13   45 o   96.384   7.0598   65.037   9.0040   77.907   12.434   50.846   13.056  106.770   8.5936   85.999   11.203 20.77069 14.11953 
1 1 1  -21   13   46 o  162.027   5.7862  176.913   12.509  166.366   16.133  192.814   19.809  156.141   7.6246  167.914   8.7055 -11.77341 11.57241 
1 1 1  -21   13   47 o  125.993   6.2419  109.462   10.531  114.950   14.079  102.492   15.866  129.715   8.0095  122.270   9.5757 7.445564 12.48384 
1 1 1  -21   13   48 o  116.849   7.2217   91.881   10.870   87.810   13.302  100.061   18.857  113.263   8.6667  120.434   11.554 -7.170502 14.44343 
1 1 1  -21   13   49 o  117.751   7.0671   95.010   10.742   94.351   13.287   96.253   18.248  117.416   8.3509  118.087   11.403 -0.6708450 14.13421 
1 1 1  -21   13   50 o  120.847   5.5302   99.208   8.9946  105.388   13.692   94.516   11.930  124.088   8.1423  117.605   7.4856 6.483170 11.06036 
1 1 1  -21   13   51 o  124.396   5.5520  107.236   9.2290   95.226   13.738  117.115   12.459  117.845   8.6026  130.948   7.0210 -13.10361 11.10401 
1 1 1  -21   13   52 o   81.566   7.7983   45.937   8.5674   45.251   11.466   46.805   12.892   80.963   10.450   82.169   11.578 -1.206161 15.59652 
1 1 1  -21   13   53 o  120.560   7.6713  102.026   12.220   93.405   19.062  108.041   15.922  115.853   12.142  125.267   9.3794 -9.414169 15.34267 
1 1 1  -21   13   54 o  103.232   7.6359   71.489   9.5488   79.240   18.570   68.703   11.133  106.427   12.876  100.036   8.2128 6.390686 15.27189 
1 1 1  -21   13   55 o  113.671   12.558   90.441   19.345   90.441   19.345   0.0000   0.0000  113.671   12.558  ?   ?       ?      ? 
1 1 1  -21   13   56 o   41.746   10.701   7.5255   7.0292   18.840   14.285   3.9109   8.0743   51.902   17.318   31.590   12.574 20.31196 21.40138 
1 1 1  -21   13   57 o  105.416   6.2335   79.544   8.5400   63.562   13.225   90.973   11.184   95.668   10.201  115.165   7.1666 -19.49696 12.46709 
1 1 1  -21   13   58 o  183.056   6.1965  225.574   13.976  246.041   26.343  217.555   16.488  187.990   10.341  178.122   6.8307 9.867981 12.39299 
1 1 1  -21   13   59 o   85.510   6.6667   50.832   7.5922   50.352   11.846   51.166   9.8906   84.971   10.288   86.048   8.4820 -1.077126 13.33339 
1 1 1  -21   13   60 o  112.890   5.7131   87.716   8.6384   90.031   13.338   86.043   11.338  114.016   8.6326  111.763   7.4858 2.253265 11.42622 
1 1 1  -21   13   61 o   77.829   6.9553   41.447   7.1910   46.635   11.604   38.213   9.1622   81.539   10.502   74.120   9.1219 7.418900 13.91055 
1 1 1  -21   13   62 o  111.900   5.7115   86.454   8.5643   88.664   13.196   84.845   11.257  112.962   8.6205  110.839   7.4947 2.122498 11.42293 
1 1 1  -21   13   63 o   33.256   9.8311   2.3469   7.5542   6.0320   9.7305  -3.2436   11.985   35.326   13.885   31.185   13.922 4.140902 19.66224 
1 1 1  -21   13   64 o   40.343   9.5612   10.891   6.0976   14.524   9.6552   8.4799   7.8644   44.575   14.194   36.110   12.814 8.465385 19.12234 
1 1 1  -21   13   65 o   58.784   8.6514   25.590   6.5989   26.268   10.190   25.100   8.6602   59.146   13.062   58.422   11.348 0.7243958 17.30277 
1 1 1  -21   13   66 o   54.640   8.9908   21.760   6.5378   29.092   10.126   16.519   8.5612   62.453   12.402   46.827   13.020 15.62660 17.98166 
1 1 1  -21   13   67 o  114.120   8.2636   91.191   12.779   91.191   12.779   0.0000   0.0000  114.120   8.2636  ?   ?       ?      ? 
1 1 1  -21   13   68 o   87.846   7.2863   53.647   8.5506   44.591   11.089   66.927   13.428   78.931   10.368   96.762   10.241 -17.83116 14.57268 
1 1 1  -21   13   69 o   76.982   7.7982   42.063   8.0341   37.893   10.410   48.204   12.634   72.546   10.589   81.418   11.451 -8.871841 15.59638 
1 1 1  -21   13   70 o   56.605   9.3811   23.758   7.2503   14.729   9.5264   36.188   11.177   43.981   14.109   69.229   12.368 -25.24827 18.76229 
1 1 1  -21   13   71 o   54.420   11.286   24.188   8.7676   22.211   14.446   25.341   11.032   52.251   17.414   56.589   14.361 -4.337757 22.57212 
1 1 1  -21   13   72 o   99.100   8.5581   75.611   10.944   57.354   16.597   89.658   14.558   86.501   14.159  111.699   9.6176 -25.19757 17.11621 
1 1 1  -21   13   73 o   59.630   10.981   26.844   8.9266   40.940   14.769   18.730   11.205   70.917   15.775   48.342   15.279 22.57519 21.96169 
1 1 1  -21   13   74 o   94.289   8.6776   67.926   10.808   55.497   15.914   78.567   14.725   84.885   13.834  103.692   10.479 -18.80665 17.35525 
1 1 1  -21   14    1 o  121.379   5.4188  100.061   8.7351  129.124   12.852   75.108   11.909  137.777   6.8834  104.981   8.3708 32.79639 10.83751 
1 1 1  -21   14    2 o  176.882   4.8681  212.458   11.624  239.490   16.814  187.715   16.087  187.667   6.6116  166.097   7.1471 21.56987 9.736251 
1 1 1  -21   14    3 o  238.171   4.9289  383.770   15.822  444.771   23.250  331.158   21.592  255.737   6.7089  220.606   7.2227 35.13153 9.857841 
1 1 1  -21   14    4 o  213.201   4.8966  308.918   14.133  329.016   20.290  289.975   19.697  219.945   6.8074  206.457   7.0403 13.48817 9.793240 
1 1 1  -21   14    5 o  271.484   5.0487  501.218   18.566  522.343   26.548  480.997   25.974  277.092   7.0702  265.878   7.2091 11.21408 10.09745 
1 1 1  -21   14    6 o  194.771   6.3331  257.353   15.128  261.905   28.319  255.535   17.896  195.706   10.678  193.837   6.8129 1.869415 12.66626 
1 1 1  -21   14    7 o  117.344   6.0523   93.449   9.5985   84.700   13.137  103.467   14.058  111.467   8.6973  123.222   8.4188 -11.75513 12.10452 
1 1 1  -21   14    8 o   74.903   6.5389   36.740   6.4568   26.896   8.3199   51.647   10.238   62.763   9.7821   87.044   8.6799 -24.28024 13.07780 
1 1 1  -21   14    9 o   31.761   8.8005   4.0223   5.5669   5.8943   7.3951   1.5742   8.4570   33.270   12.336   30.251   12.555 3.018753 17.60090 
1 1 1  -21   14   10 o   63.685   7.5019   26.692   6.1405   18.922   7.8172   39.212   9.9225   51.579   11.480   75.791   9.6610 -24.21196 15.00389 
1 1 1  -21   14   11 o   54.221   8.6322   20.104   6.1292   15.966   7.8760   26.457   9.7597   47.373   12.196   61.070   12.220 -13.69682 17.26447 
1 1 1  -21   14   12 o   22.247   7.0628  -8.3438   4.9673 -17.8440   6.8846   1.9719   7.1740   15.962   7.9545   28.531   11.673 -12.56936 14.12561 
1 1 1  -21   14   13 o   65.225   9.5386   29.037   8.4311   29.037   8.4311   0.0000   0.0000   65.225   9.5386  ?   ?       ?      ? 
1 1 1  -21   14   14 o  118.557   6.5807   95.570   10.573   95.570   10.573   0.0000   0.0000  118.557   6.5807  ?   ?       ?      ? 
1 1 1  -21   14   15 o  206.435   5.2753  294.568   13.653  302.414   16.560  277.913   24.127  210.978   5.7920  201.891   8.8186 9.086243 10.55062 
1 1 1  -21   14   16 o  280.056   5.6189  542.522   19.389  554.901   23.187  513.740   35.355  285.760   5.9877  274.353   9.5097 11.40723 11.23773 
1 1 1  -21   14   17 o  207.196   5.2626  292.941   13.694  294.202   16.534  290.187   24.437  208.084   5.8635  206.308   8.7408 1.776108 10.52528 
1 1 1  -21   14   18 o  230.464   5.4233  371.628   15.531  388.323   18.805  335.799   27.548  239.069   5.8045  221.859   9.1627 17.20967 10.84655 
1 1 1  -21   14   19 f  172.080   5.3354  205.702   11.628  213.873   14.281  189.627   20.031  177.407   5.9403  166.753   8.8645 10.65424 10.67080 
1 1 1  -21   14   20 o  122.389   5.9291  107.300   9.2402  121.616   11.762   84.222   14.934  133.740   6.4899  111.038   9.9247 22.70197 11.85827 
1 1 1  -21   14   21 o  141.009   5.3932  135.374   9.8601  135.367   12.276  135.389   16.552  141.102   6.4202  140.915   8.6676 0.1869659 10.78633 
1 1 1  -21   14   22 o  193.321   5.3087  257.584   12.960  263.421   15.798  245.573   22.662  196.884   5.9212  189.758   8.8129 7.125137 10.61733 
1 1 1  -21   14   23 o  120.176   5.6917   99.284   8.9260  101.853   11.284   94.989   14.591  122.366   6.8047  117.987   9.1256 4.378525 11.38338 
1 1 1  -21   14   24 o  174.192   5.9634  210.556   13.819  243.523   18.950  173.110   20.196  189.139   7.3933  159.245   9.3588 29.89413 11.92677 
1 1 1  -21   14   25 o  147.797   8.0969  148.846   16.217  148.846   16.217   0.0000   0.0000  147.797   8.0969  ?   ?       ?      ? 
1 1 1  -21   14   26 o  240.200   7.5239  392.863   24.490  392.863   24.490   0.0000   0.0000  240.200   7.5239  ?   ?       ?      ? 
1 1 1  -21   14   27 o  247.840   5.5332  420.213   16.959  422.814   20.244  414.093   31.054  249.408   5.9898  246.273   9.3051 3.135422 11.06630 
1 1 1  -21   14   28 o  136.613   5.6085  130.180   9.8397  137.528   12.313  117.194   16.369  142.208   6.3891  131.017   9.2196 11.19167 11.21702 
1 1 1  -21   14   29 f  140.003   5.2968  128.131   9.6230  116.271   11.781  151.910   16.681  130.734   6.6498  149.272   8.2465 -18.53804 10.59362 
1 1 1  -21   14   30 o  163.672   6.1403  182.144   13.619  182.144   13.619   0.0000   0.0000  163.672   6.1403  ?   ?       ?      ? 
1 1 1  -21   14   31 o  174.160   6.0183  206.220   14.204  206.220   14.204   0.0000   0.0000  174.160   6.0183  ?   ?       ?      ? 
1 1 1  -21   14   32 o   38.220   9.4863   8.9209   6.0522   8.9560   8.0791   8.8760   9.1362   37.776   13.018   38.664   13.802 -0.8883018 18.97251 
1 1 1  -21   14   33 o   56.939   8.7326   23.701   6.6189   28.564   8.7277   17.118   10.155   64.613   9.9678   49.265   14.341 15.34768 17.46522 
1 1 1  -21   14   34 o   59.402   8.7012   25.575   6.8006   29.838   9.0042   19.913   10.376   66.024   10.064   52.780   14.197 13.24405 17.40241 
1 1 1  -21   14   35 o  185.887   5.5543  245.613   13.017  266.924   16.157  206.195   21.974  198.109   6.0183  173.664   9.3370 24.44499 11.10859 
1 1 1  -21   14   36 o  292.308   5.6652  559.685   20.239  531.388   23.658  636.938   39.089  279.466   6.2468  305.150   9.4528 -25.68478 11.33039 
1 1 1  -21   14   37 o  111.415   5.9558   85.245   8.7139   86.785   11.093   82.764   14.081  112.848   7.2540  109.982   9.4481 2.865547 11.91158 
1 1 1  -21   14   38 o   92.506   6.3601   57.412   7.8480   52.692   10.087   64.650   12.492   87.827   8.4755   97.185   9.4851 -9.357651 12.72010 
1 1 1  -21   14   39 o   54.107   9.6419   20.883   7.3345   29.389   10.506   12.796   10.244   64.215   12.523   43.998   14.664 20.21753 19.28375 
1 1 1  -21   14   40 o  168.083   6.8282  193.995   15.376  190.992   23.484  196.248   20.342  166.793   10.390  169.373   8.8628 -2.580536 13.65641 
1 1 1  -21   14   41 o   92.734   8.5968   59.813   10.425   57.590   16.965   61.162   13.214   91.100   13.742   94.368   10.333 -3.267967 17.19351 
1 1 1  -21   14   42 o  187.225   5.5711  246.161   13.222  260.158   16.338  219.597   22.508  195.452   6.1685  178.999   9.2790 16.45284 11.14228 
1 1 1  -21   14   43 o  164.389   5.5809  187.046   11.788  192.442   14.641  177.104   19.874  168.042   6.4294  160.737   9.1240 7.305313 11.16177 
1 1 1  -21   14   44 o  138.367   5.2516  130.303   9.7866  134.933   14.786  126.694   13.056  140.495   7.7661  136.240   7.0716 4.254501 10.50329 
1 1 1  -21   14   45 o  132.461   5.3893  119.067   9.6053  127.175   14.652  112.956   12.720  136.337   7.9307  128.585   7.2996 7.752594 10.77867 
1 1 1  -21   14   46 o  102.844   7.7448   74.509   10.239   78.058   12.803   68.215   17.053  106.650   8.8588   99.038   12.706 7.612373 15.48953 
1 1 1  -21   14   47 o   92.926   7.9340   58.515   9.6401   55.197   11.994   64.571   16.203   89.505   9.8884   96.348   12.410 -6.843513 15.86799 
1 1 1  -21   14   48 o   74.018   10.515   41.568   9.9127   31.354   16.189   47.694   12.538   65.074   17.831   82.962   11.152 -17.88801 21.03095 
1 1 1  -21   14   49 o   83.996   9.3675   54.237   8.6367   42.471   16.937   58.372   10.040   75.749   16.926   92.243   8.0320 -16.49419 18.73509 
1 1 1  -21   14   50 o   71.137   9.3692   34.906   9.0320   0.0000   0.0000   34.906   9.0320  ?   ?    71.137   9.3692      ?      ? 
1 1 1  -21   14   51 o   54.797   9.9235   24.980   7.4288   8.4323   15.511   29.905   8.4625   43.801   17.430   65.793   9.4916 -21.99157 19.84708 
1 1 1  -21   14   52 o  129.734   6.7501  116.514   10.520  116.266   20.215  116.606   12.319  129.014   11.563  130.454   6.9686 -1.440475 13.50014 
1 1 1  -21   14   53 o  137.744   5.4003  133.772   9.8134  107.487   14.601  155.430   13.253  124.810   8.6325  150.677   6.4908 -25.86710 10.80054 
1 1 1  -21   14   54 o   32.735   9.0058   1.9765   5.8856   11.286   9.9272  -3.0697   7.3086   41.432   14.421   24.037   10.791 17.39548 18.01158 
1 1 1  -21   14   55 o   42.064   9.2693   9.2707   6.1703   22.235   10.539   2.5099   7.6109   54.760   14.114   29.368   12.020 25.39175 18.53864 
1 1 1  -21   14   56 o   60.598   8.4936   36.796   7.5874  -4.5486   14.485   52.429   8.9072   33.969   15.224   87.227   7.5354 -53.25748 16.98722 
1 1 1  -21   14   57 o   27.432   8.3865  -2.8618   5.6724   4.7409   9.5148  -7.0537   7.0652   34.007   13.612   20.857   9.8001 13.15060 16.77305 
1 1 1  -21   14   58 o   41.183   9.2866   12.351   6.0627   6.4999   10.060   15.688   7.5976   36.223   14.153   46.143   12.028 -9.920727 18.57316 
1 1 1  -21   14   59 o   98.979   6.1483   70.355   7.9672   56.216   12.077   81.250   10.602   89.479   9.9598  108.479   7.2117 -19.00076 12.29660 
1 1 1  -21   14   60 o   47.838   8.1567   17.692   6.2756   1.7517   9.7843   28.832   8.1798   31.544   13.325   64.133   9.4120 -32.58826 16.31343 
1 1 1  -21   14   61 o   36.554   10.079   6.8874   7.3136   9.7953   9.4061   2.4416   11.631   38.777   13.986   34.330   14.516 4.447044 20.15758 
1 1 1  -21   14   62 o   77.963   7.1890   41.833   7.0930   62.296   11.157   27.952   9.1891   94.297   8.7309   61.629   11.424 32.66756 14.37798 
1 1 1  -21   14   63 o   56.852   8.4763   25.778   6.4617   13.716   9.8634   34.848   8.5526   43.323   14.387   70.380   8.9674 -27.05733 16.95270 
1 1 1  -21   14   64 f   51.256   9.0858   20.681   6.3795   15.147   9.9642   24.525   8.3047   44.923   14.431   57.589   11.043 -12.66626 18.17169 
1 1 1  -21   14   65 o   70.231   8.6310   36.758   7.9631   38.782   10.827   34.373   11.753   73.338   10.894   67.123   13.390 6.215080 17.26202 
1 1 1  -21   14   66 o  111.617   6.6630   86.858   9.9611   76.736   12.941  101.575   15.604  103.937   9.1878  119.297   9.6522 -15.35963 13.32595 
1 1 1  -21   14   67 o   70.205   8.8398   35.459   7.9900   22.246   10.339   55.048   12.589   53.212   14.109   87.197   10.654 -33.98468 17.67954 
1 1 1  -21   14   68 o   72.984   8.6472   40.423   8.1274   42.615   10.611   37.313   12.642   76.817   10.193   69.151   13.971 7.665619 17.29448 
1 1 1  -21   14   69 o   49.273   11.362   18.915   8.5695   23.162   13.685   16.175   10.991   52.993   16.900   45.553   15.190 7.440277 22.72358 
1 1 1  -21   14   70 o   46.567   11.137   16.169   8.2650   22.578   13.265   12.102   10.567   52.259   16.636   40.874   14.812 11.38595 22.27443 
1 1 1  -21   14   71 o   72.416   10.128   41.529   9.4823   42.497   14.637   40.829   12.447   72.337   15.404   72.495   13.155 -0.1577072 20.25673 
1 1 1  -21   14   72 f   72.231   13.071   40.634   12.323   0.0000   0.0000   40.634   12.323  ?   ?    72.231   13.071      ?      ? 
1 1 1  -21   14   73 o   84.276   11.714   53.243   13.378   0.0000   0.0000   53.243   13.378  ?   ?    84.276   11.714      ?      ? 
1 1 1  -21   15    1 o  101.452   5.8134   70.174   7.9864   66.479   11.177   74.028   11.416   98.713   8.3553  104.190   8.0854 -5.477020 11.62690 
1 1 1  -21   15    2 o  281.129   5.0973  538.055   19.414  531.503   27.076  544.987   27.850  279.379   7.1517  282.878   7.2651 -3.499054 10.19457 
1 1 1  -21   15    3 o  287.949   6.4474  564.291   23.511  572.085   41.531  560.615   28.522  289.000   10.605  286.897   7.3362 2.103821 12.89486 
1 1 1  -21   15    4 o  189.070   6.2723  245.533   14.817  240.158   26.590  247.954   17.844  187.279   10.477  190.860   6.8990 -3.581787 12.54457 
1 1 1  -21   15    5 o  185.084   4.8826  233.211   12.242  241.028   17.337  225.439   17.287  188.191   6.7983  181.978   7.0101 6.212708 9.765175 
1 1 1  -21   15    6 o  152.946   5.0078  159.252   10.379  158.037   14.629  160.483   14.728  152.359   7.0856  153.534   7.0786 -1.174957 10.01555 
1 1 1  -21   15    7 o  131.383   5.3851  116.331   8.9319  114.164   10.772  121.098   15.977  129.573   6.1351  133.193   8.8520 -3.620529 10.77020 
1 1 1  -21   15    8 f  180.200   5.2634  223.140   11.779  226.188   14.133  216.206   21.318  182.426   5.7169  177.974   8.8392 4.451843 10.52685 
1 1 1  -21   15    9 o  243.070   5.3837  399.728   16.017  396.057   18.911  409.047   30.128  241.389   5.7810  244.751   9.0838 -3.361847 10.76733 
1 1 1  -21   15   10 o  170.115   5.8293  196.711   13.438  196.711   13.438   0.0000   0.0000  170.115   5.8293  ?   ?       ?      ? 
1 1 1  -21   15   11 o  168.852   5.9008  193.815   13.502  193.815   13.502   0.0000   0.0000  168.852   5.9008  ?   ?       ?      ? 
1 1 1  -21   15   12 o  244.084   5.3654  401.576   16.097  395.791   19.035  416.096   30.158  241.303   5.8212  246.865   9.0147 -5.562256 10.73087 
1 1 1  -21   15   13 o  184.588   5.1730  226.158   12.001  216.910   14.348  247.696   21.896  178.625   5.9276  190.551   8.4795 -11.92558 10.34591 
1 1 1  -21   15   14 o  126.607   5.6059  111.766   9.0227  117.050   11.145  101.716   15.371  131.190   6.2689  122.024   9.2954 9.166283 11.21171 
1 1 1  -21   15   15 o  161.564   5.2252  175.338   10.692  171.067   12.914  184.644   19.062  158.621   6.0078  164.507   8.5509 -5.885651 10.45045 
1 1 1  -21   15   16 o  183.324   5.6860  228.404   13.856  225.474   17.877  232.811   21.927  181.962   7.2498  184.686   8.7613 -2.724045 11.37191 
1 1 1  -21   15   17 f  190.322   5.2958  245.329   12.620  243.046   15.150  250.504   22.812  189.077   5.9128  191.568   8.7875 -2.490723 10.59159 
1 1 1  -21   15   18 o  282.521   5.7092  552.952   19.826  565.603   23.671  523.225   36.287  288.409   6.0566  276.633   9.6797 11.77591 11.41836 
1 1 1  -21   15   19 o  288.976   5.6138  550.167   19.758  527.192   23.082  613.138   38.213  278.429   6.1176  299.522   9.4146 -21.09314 11.22767 
1 1 1  -21   15   20 f   89.455   6.4839   54.563   7.6317   54.225   9.6840   55.118   12.398   89.177   8.0135   89.733   10.195 -0.5566025 12.96773 
1 1 1  -21   15   21 f  120.870   6.2351   99.897   10.185  101.856   13.977   97.679   14.871  122.174   8.4424  119.566   9.1779 2.608078 12.47029 
1 1 1  -21   15   22 o  154.122   5.8995  163.217   12.212  172.826   16.528  151.663   18.123  159.238   7.6593  149.007   8.9751 10.23141 11.79901 
1 1 1  -21   15   23 o  163.029   5.3314  180.365   11.035  178.950   13.412  183.332   19.417  162.205   6.1016  163.852   8.7445 -1.646744 10.66285 
1 1 1  -21   15   24 o  102.174   6.0056   70.829   8.0770   69.472   10.224   73.083   13.175  100.965   7.4721  103.383   9.4040 -2.417587 12.01114 
1 1 1  -21   15   25 o  140.706   5.5175  136.876   9.9816  141.237   12.415  128.905   16.785  144.070   6.3592  137.343   9.0184 6.727448 11.03501 
1 1 1  -21   15   26 o  131.777   5.4778  114.778   9.4258  105.744   11.659  131.829   16.017  124.607   6.9043  138.947   8.5063 -14.33994 10.95561 
1 1 1  -21   15   27 o  129.897   5.7616  114.631   9.6381  113.479   11.878  116.853   16.491  129.089   6.7901  130.706   9.3102 -1.616852 11.52326 
1 1 1  -21   15   28 o  175.572   6.1888  209.757   14.725  209.757   14.725   0.0000   0.0000  175.572   6.1888  ?   ?       ?      ? 
1 1 1  -21   15   29 o  157.668   5.7688  168.584   12.143  163.391   15.759  176.171   19.050  154.790   7.5130  160.546   8.7561 -5.755615 11.53751 
1 1 1  -21   15   30 o  155.229   5.8595  165.777   12.155  172.714   16.118  156.629   18.510  159.138   7.4738  151.321   9.0264 7.816711 11.71897 
1 1 1  -21   15   31 o  163.142   5.9033  183.440   12.815  191.218   16.825  172.693   19.777  167.440   7.4148  158.843   9.1879 8.596329 11.80666 
1 1 1  -21   15   32 o  100.594   12.381   69.863   16.878   69.863   16.878   0.0000   0.0000  100.594   12.381  ?   ?       ?      ? 
1 1 1  -21   15   33 o   66.767   12.770   31.806   11.133   31.806   11.133   0.0000   0.0000   66.767   12.770  ?   ?       ?      ? 
1 1 1  -21   15   34 o  110.752   5.9041   79.193   8.5429   67.381   10.510  102.195   14.666   99.324   7.8085  122.181   8.8578 -22.85706 11.80824 
1 1 1  -21   15   35 o   76.352   7.7384   41.746   7.4604   45.128   9.5422   36.428   11.965   81.194   8.6724   71.509   12.819 9.685867 15.47671 
1 1 1  -21   15   36 o  138.117   5.4893  127.371   9.8459  120.443   12.140  140.691   16.832  132.898   6.7406  143.336   8.6655 -10.43814 10.97850 
1 1 1  -21   15   37 o  136.692   5.6584  127.205   10.026  125.783   12.447  129.833   16.917  135.792   6.7642  137.592   9.0728 -1.800751 11.31683 
1 1 1  -21   15   38 o   90.760   7.3052   56.799   8.9167   48.132   12.421   66.013   12.808   83.514   10.976   98.007   9.6434 -14.49332 14.61031 
1 1 1  -21   15   39 o  104.578   6.3477   73.597   8.7273   69.364   10.943   80.996   14.467  100.662   8.0219  108.495   9.8398 -7.833557 12.69535 
1 1 1  -21   15   40 o  129.674   5.7767  113.110   9.7487  108.010   12.075  122.657   16.521  125.730   7.0870  133.618   9.1244 -7.887878 11.55334 
1 1 1  -21   15   41 o   81.028   7.2459   44.785   7.7970   42.818   9.9793   47.867   12.493   78.895   9.3339   83.161   11.086 -4.265144 14.49176 
1 1 1  -21   15   42 o  151.072   5.6017  155.215   10.898  152.599   13.411  160.299   18.698  149.472   6.6211  152.672   9.0375 -3.200226 11.20334 
1 1 1  -21   15   43 f  148.208   6.0712  147.107   12.037  123.716   15.661  180.875   18.817  134.171   8.6134  162.246   8.5584 -28.07486 12.14240 
1 1 1  -21   15   44 o   92.966   14.495   61.050   18.261   61.050   18.261   0.0000   0.0000   92.966   14.495  ?   ?       ?      ? 
1 1 1  -21   15   45 o  131.813   9.5437  120.008   17.047   0.0000   0.0000  120.008   17.047  ?   ?   131.813   9.5437      ?      ? 
1 1 1  -21   15   46 o  131.913   6.5381  120.016   11.677  116.745   16.113  123.636   16.948  130.049   9.1427  133.776   9.3487 -3.726837 13.07626 
1 1 1  -21   15   47 o  166.231   6.0962  184.842   13.520  150.782   17.527  234.890   21.247  147.842   8.7485  184.620   8.4924 -36.77827 12.19248 
1 1 1  -21   15   48 o  121.143   5.7694  104.140   9.1774   82.098   13.728  121.951   12.340  108.903   9.3022  133.383   6.8272 -24.47951 11.53871 
1 1 1  -21   15   49 f  161.389   5.1691  181.577   11.127  158.798   16.567  200.299   15.019  151.792   8.0539  170.986   6.4817 -19.19421 10.33816 
1 1 1  -21   15   50 o   62.706   8.2836   28.044   6.6119   28.465   11.022   27.808   8.2639   62.169   13.472   63.244   9.6424 -1.074879 16.56720 
1 1 1  -21   15   51 o   76.963   6.9460   39.923   7.0895   48.075   11.575   35.029   8.9686   82.935   10.299   70.990   9.3227 11.94542 13.89194 
1 1 1  -21   15   52 o   60.383   8.5609   28.237   6.5725   19.614   10.700   33.461   8.3290   51.345   14.655   69.420   8.8537 -18.07491 17.12186 
1 1 1  -21   15   53 o   80.424   8.6503   46.452   7.9733   46.895   15.647   46.296   9.2666   79.140   15.142   81.707   8.3691 -2.566765 17.30063 
1 1 1  -21   15   54 o   86.081   7.7077   44.170   7.9960   72.251   16.658   35.763   9.1147  100.627   12.216   71.534   9.4025 29.09272 15.41530 
1 1 1  -21   15   55 o   54.918   8.8740   22.475   6.3278   21.913   10.236   22.823   8.0505   53.932   13.913   55.903   11.019 -1.971207 17.74795 
1 1 1  -21   15   56 o   46.636   9.4348   15.583   6.1568   19.784   9.9622   12.986   7.8315   51.184   13.972   42.088   12.683 9.095528 18.86951 
1 1 1  -21   15   57 o  115.703   5.5278   93.437   8.5873   90.058   12.910   96.118   11.500  113.598   8.3865  117.808   7.2036 -4.210350 11.05550 
1 1 1  -21   15   58 o   39.085   9.1259   10.556   6.1732   2.4110   9.6605   16.177   8.0255   31.738   13.314   46.431   12.485 -14.69252 18.25187 
1 1 1  -21   15   59 o   60.945   10.153   29.183   8.1551   31.673   10.460   25.325   13.022   65.172   12.295   56.718   16.160 8.453369 20.30518 
1 1 1  -21   15   60 o   86.895   9.4439   53.492   11.121   53.492   11.121   0.0000   0.0000   86.895   9.4439  ?   ?       ?      ? 
1 1 1  -21   15   61 o   42.777   10.247   13.474   7.1515   15.679   9.5838   10.704   10.743   45.382   14.099   40.173   14.873 5.209137 20.49370 
1 1 1  -21   15   62 o   56.668   9.8877   25.371   7.5571   27.993   10.045   21.951   11.471   60.661   12.630   52.674   15.216 7.987038 19.77538 
1 1 1  -21   15   63 o   91.889   7.1704   59.804   8.7944   55.603   11.343   66.135   13.924   88.239   9.4864   95.539   10.755 -7.299934 14.34073 
1 1 1  -21   15   64 o   52.994   9.6360   23.033   7.4115   30.982   9.8031   12.426   11.324   64.144   11.709   41.844   15.307 22.29949 19.27202 
1 1 1  -21   15   65 o   43.385   10.266   14.453   7.2250   17.144   9.5708   10.887   11.016   46.743   14.006   40.028   15.014 6.714962 20.53237 
1 1 1  -21   15   66 o   34.432   10.103   0.3151   7.9118   13.745   13.222  -7.1760   9.8749   43.672   16.435   25.191   11.755 18.48158 20.20591 
1 1 1  -21   15   67 o   24.461   8.2559 -12.7242   7.2668  -4.6778   11.827 -17.6036   9.2102   29.171   13.343   19.751   9.7260 9.419731 16.51189 
1 1 1  -21   15   68 o   55.285   15.005   24.985   11.530   0.0000   0.0000   24.985   11.530  ?   ?    55.285   15.005      ?      ? 
1 1 1  -21   15   69 o   29.540   13.021  -0.2513   10.156   0.0000   0.0000  -0.2513   10.156  ?   ?    29.540   13.021      ?      ? 
1 1 1  -21   15   70 o   27.455   12.450  -3.1011   10.016   0.0000   0.0000  -3.1011   10.016  ?   ?    27.455   12.450      ?      ? 
1 1 1  -21   16    1 o  287.506   5.2009  563.915   20.241  599.865   28.898  529.290   28.361  296.544   7.1912  278.467   7.5155 18.07608 10.40174 
1 1 1  -21   16    2 o  259.724   5.0724  460.310   17.829  490.053   25.323  431.072   25.107  268.095   6.9701  251.352   7.3711 16.74304 10.14476 
1 1 1  -21   16    3 o   69.771   7.7485   33.994   7.1250   38.331   10.174   29.819   9.9814   74.735   10.046   64.807   11.800 9.927689 15.49707 
1 1 1  -21   16    4 o  121.741   5.4170  101.133   8.9354   98.965   12.515  103.387   12.762  120.409   7.6699  123.072   7.6518 -2.662849 10.83409 
1 1 1  -21   16    5 o  110.942   5.7230   84.509   8.4205  107.702   12.190   63.345   11.645  125.675   7.1578   96.210   8.9318 29.46439 11.44603 
1 1 1  -21   16    6 o   56.679   8.8520   23.197   6.6290   19.769   9.5613   26.369   9.1987   52.443   13.403   60.915   11.566 -8.471420 17.70401 
1 1 1  -21   16    7 o  137.020   6.1166  127.798   11.357  127.798   11.357   0.0000   0.0000  137.020   6.1166  ?   ?       ?      ? 
1 1 1  -21   16    8 f  106.474   6.7488   77.245   9.7377   77.245   9.7377   0.0000   0.0000  106.474   6.7488  ?   ?       ?      ? 
1 1 1  -21   16    9 o  104.781   5.9623   74.016   7.8714   72.311   9.4691   77.827   14.161  103.016   6.7830  106.547   9.8075 -3.530800 11.92459 
1 1 1  -21   16   10 o  107.114   5.9255   78.639   8.0117   79.051   9.7199   77.767   14.150  107.721   6.6585  106.507   9.8036 1.213524 11.85106 
1 1 1  -21   16   11 o  102.638   5.9949   71.260   7.8912   69.738   9.6572   74.320   13.690  101.144   7.0457  104.132   9.7011 -2.988014 11.98974 
1 1 1  -21   16   12 o  108.446   5.9560   81.027   8.2490   82.375   10.148   78.401   14.163  109.948   6.8110  106.943   9.7728 3.004631 11.91200 
1 1 1  -21   16   13 o   96.511   6.2307   64.407   7.7736   66.142   9.7168   61.323   12.956   98.480   7.2810   94.541   10.113 3.939079 12.46132 
1 1 1  -21   16   14 o  126.602   5.5780  108.471   9.0548  106.504   11.086  112.414   15.693  125.043   6.5425  128.160   9.0360 -3.116936 11.15593 
1 1 1  -21   16   15 o   68.665   8.2161   35.126   6.9750   40.819   8.8901   26.009   11.250   77.272   8.4899   60.058   14.069 17.21403 16.43225 
1 1 1  -21   16   16 o   95.775   6.7000   67.338   7.9780   77.547   10.017   49.630   13.193  106.661   6.9303   84.889   11.469 21.77125 13.39995 
1 1 1  -21   16   17 o  122.948   5.6539  100.931   8.9414   96.210   10.917  110.553   15.584  118.817   6.7802  127.080   9.0496 -8.263062 11.30783 
1 1 1  -21   16   18 o   81.106   7.8345   45.312   8.5995   47.838   12.140   42.767   12.183   83.415   10.740   78.796   11.409 4.618462 15.66909 
1 1 1  -21   16   19 o  266.414   6.1205  487.637   21.589  495.700   27.852  475.500   34.170  269.470   7.6271  263.359   9.5745 6.111420 12.24106 
1 1 1  -21   16   20 f  285.975   6.2824  567.597   23.726  599.152   30.829  521.757   37.157  296.228   7.6797  275.722   9.9446 20.50623 12.56473 
1 1 1  -21   16   21 o  152.816   5.5474  159.492   10.811  159.433   13.221  159.611   18.781  152.984   6.3774  152.649   9.0788 0.3344116 11.09489 
1 1 1  -21   16   22 o   56.975   9.2295   23.036   6.8494   21.781   8.7739   24.994   10.960   55.124   12.079   58.827   13.958 -3.702751 18.45899 
1 1 1  -21   16   23 o  108.374   6.0007   77.953   8.4896   71.974   10.501   89.237   14.425  102.665   7.5476  114.083   9.3310 -11.41773 12.00140 
1 1 1  -21   16   24 o  123.529   5.8482  106.295   9.2597  110.703   11.515   98.225   15.578  127.426   6.6681  119.632   9.6094 7.793671 11.69632 
1 1 1  -21   16   25 o   79.076   8.9647   42.855   9.6064   42.855   9.6064   0.0000   0.0000   79.076   8.9647  ?   ?       ?      ? 
1 1 1  -21   16   26 o  100.368   6.1741   67.631   8.0680   64.260   9.9894   73.956   13.683   96.976   7.6013  103.759   9.7313 -6.782158 12.34818 
1 1 1  -21   16   27 o   39.147   9.4231   8.4628   6.2127   3.3757   8.1273   15.615   9.6365   31.304   12.563   46.990   14.048 -15.68529 18.84613 
1 1 1  -21   16   28 o  119.698   5.9201   99.494   9.1004  102.661   11.309   93.674   15.330  122.656   6.8036  116.741   9.6903 5.914497 11.84018 
1 1 1  -21   16   29 o  106.521   6.0701   77.068   8.3966   75.348   10.422   80.250   14.175  105.010   7.3237  108.033   9.6822 -3.023514 12.14011 
1 1 1  -21   16   30 o  119.775   6.0167  100.215   9.2601  104.718   11.559   92.149   15.472  123.842   6.8878  115.708   9.8671 8.134285 12.03334 
1 1 1  -21   16   31 o  154.520   5.4633  159.987   10.801  153.438   13.130  173.693   18.995  149.961   6.4612  159.079   8.8115 -9.117706 10.92661 
1 1 1  -21   16   32 o  129.217   5.9030  116.113   9.8094  119.944   12.213  109.148   16.467  132.521   6.8007  125.912   9.6506 6.609428 11.80610 
1 1 1  -21   16   33 o  157.072   5.5195  166.906   11.090  162.818   13.527  175.287   19.367  154.441   6.4634  159.704   8.9489 -5.263931 11.03895 
1 1 1  -21   16   34 o   41.688   9.6709   10.893   6.5118   6.0486   8.7312   16.964   9.7751   34.793   13.293   48.584   14.050 -13.79111 19.34187 
1 1 1  -21   16   35 f   49.401   9.9600   17.646   7.5737   7.6726   11.328   25.707   10.185   39.246   15.106   59.555   12.985 -20.30922 19.91996 
1 1 1  -21   16   36 o   74.245   11.567   45.017   10.476   28.225   20.255   51.149   12.240   62.544   20.609   85.945   10.509 -23.40035 23.13414 
1 1 1  -21   16   37 o  129.163   6.5374  113.668   11.253   87.689   15.111  146.007   16.860  112.625   9.9012  145.700   8.5393 -33.07442 13.07490 
1 1 1  -21   16   38 o  167.225   7.2031  191.578   16.086  206.005   25.332  181.829   20.824  172.194   10.856  162.256   9.4706 9.938217 14.40627 
1 1 1  -21   16   40 o   44.510   15.636   12.922   11.683   12.922   11.683   0.0000   0.0000   44.510   15.636  ?   ?       ?      ? 
1 1 1  -21   16   41 o  104.375   7.6249   74.868   10.785   74.868   10.785   0.0000   0.0000  104.375   7.6249  ?   ?       ?      ? 
1 1 1  -21   16   42 o   66.904   10.298   31.155   9.3364   31.155   9.3364   0.0000   0.0000   66.904   10.298  ?   ?       ?      ? 
1 1 1  -21   16   43 o  107.573   6.2757   79.955   8.7692   79.662   10.942   80.481   14.662  107.617   7.5029  107.529   10.062 0.8797455E-01 12.55132 
1 1 1  -21   16   44 o  128.888   5.8361  113.408   9.7281  110.397   12.007  119.160   16.596  126.772   6.9895  131.005   9.3481 -4.232506 11.67220 
1 1 1  -21   16   45 f   97.220   6.3567   63.406   8.1615   56.539   10.246   75.324   13.499   90.412   8.3630  104.028   9.5754 -13.61546 12.71334 
1 1 1  -21   16   46 o  101.176   6.2834   70.717   8.3751   69.567   10.630   72.601   13.600  100.372   7.8149  101.980   9.8412 -1.607452 12.56671 
1 1 1  -21   16   47 f   94.278   6.4555   60.778   8.0651   56.922   10.246   67.061   13.077   90.624   8.3430   97.932   9.8535 -7.308083 12.91107 
1 1 1  -21   16   48 o   66.206   8.4497   31.902   7.2197   32.898   9.3243   30.410   11.409   68.492   10.046   63.920   13.589 4.571949 16.89939 
1 1 1  -21   16   49 o   68.256   8.0586   33.534   7.0977   33.623   9.1293   33.398   11.285   69.256   9.7274   67.256   12.851 1.999847 16.11720 
1 1 1  -21   16   50 o   63.980   8.6546   30.187   7.1386   31.531   9.1639   28.113   11.385   66.912   10.106   61.048   14.052 5.863754 17.30918 
1 1 1  -21   16   51 o   46.002   10.610   15.092   7.7603   20.088   11.232   10.529   10.734   51.430   15.115   40.573   14.894 10.85659 21.22039 
1 1 1  -21   16   52 o   89.227   7.4411   56.632   8.9510   57.969   12.161   55.051   13.223   90.610   9.9038   87.843   11.108 2.766785 14.88214 
1 1 1  -21   16   53 o   65.224   8.1611   32.419   6.6979   25.432   10.634   37.014   8.6236   57.789   13.774   72.660   8.7581 -14.87037 16.32224 
1 1 1  -21   16   54 o   66.520   8.0899   33.395   6.7906   27.814   10.807   37.036   8.7290   60.460   13.529   72.580   8.8750 -12.11983 16.17983 
1 1 1  -21   16   55 o   72.027   7.0768   36.605   6.7737   38.587   10.787   35.314   8.7035   73.317   10.858   70.738   9.0794 2.578758 14.15352 
1 1 1  -21   16   56 o   52.164   14.046   21.079   10.150   21.079   10.150   0.0000   0.0000   52.164   14.046  ?   ?       ?      ? 
1 1 1  -21   16   57 o   38.578   14.104   9.9557   9.6109   9.9557   9.6109   0.0000   0.0000   38.578   14.104  ?   ?       ?      ? 
1 1 1  -21   16   58 o   52.808   10.180   21.532   7.4286   18.938   9.7612   25.102   11.451   49.299   13.972   56.317   14.808 -7.018227 20.35924 
1 1 1  -21   16   59 o   30.087   8.9962  -1.0762   6.7259  -8.3844   9.0096   8.1241   10.109   23.313   10.989   36.861   14.247 -13.54757 17.99235 
1 1 1  -21   16   60 o   67.300   9.3281   34.436   8.1084   31.839   10.556   38.173   12.664   64.569   12.516   70.032   13.835 -5.463043 18.65614 
1 1 1  -21   16   61 o   48.452   9.2982   18.521   7.3123   30.000   9.8248   4.2647   10.949   62.826   11.977   34.079   14.226 28.74661 18.59642 
1 1 1  -21   16   62 o   58.994   9.7648   28.040   7.6219   30.634   9.9187   24.300   11.911   63.403   11.983   54.586   15.421 8.817047 19.52963 
1 1 1  -21   16   63 f   98.803   7.1444   65.598   9.1584   46.306   11.406  100.605   15.365   79.564   10.579  118.042   9.6052 -38.47813 14.28888 
1 1 1  -21   16   64 f   47.189   11.294   18.038   8.6567   15.347   13.141   20.101   11.506   44.785   16.473   49.594   15.455 -4.809071 22.58825 
1 1 1  -21   16   65 o   49.049   15.515   19.751   11.552   0.0000   0.0000   19.751   11.552  ?   ?    49.049   15.515      ?      ? 
1 1 1  -21   16   66 o   41.899   15.114   13.341   10.984   0.0000   0.0000   13.341   10.984  ?   ?    41.899   15.114      ?      ? 
1 1 1  -21   16   67 o   80.997   12.379   50.003   13.588   0.0000   0.0000   50.003   13.588  ?   ?    80.997   12.379      ?      ? 
1 1 1  -21   16   68 o   89.962   12.400   61.998   15.117   0.0000   0.0000   61.998   15.117  ?   ?    89.962   12.400      ?      ? 
1 1 1  -21   17    1 o   36.934   9.8054   6.2232   6.5954   2.9037   8.3610   11.691   10.731   31.087   12.647   42.781   14.988 -11.69356 19.61081 
1 1 1  -21   17    2 o  104.412   6.4836   73.866   8.8917   70.554   11.160   79.622   14.715  101.429   8.1192  107.395   10.111 -5.966042 12.96715 
1 1 1  -21   17    3 o  126.937   7.3862  110.263   12.705  110.263   12.705   0.0000   0.0000  126.937   7.3862  ?   ?       ?      ? 
1 1 1  -21   17    4 o  123.185   7.4949  103.860   12.511  103.860   12.511   0.0000   0.0000  123.185   7.4949  ?   ?       ?      ? 
1 1 1  -21   17    5 o   71.241   8.6801   36.296   7.8623   37.527   9.9639   34.264   12.799   73.769   9.9672   68.714   14.214 5.054657 17.36029 
1 1 1  -21   17    6 o   95.394   6.7724   59.552   8.5088   49.921   10.614   76.868   14.233   85.199   9.1935  105.589   9.9471 -20.39008 13.54489 
1 1 1  -21   17    7 o   92.253   7.1145   59.329   8.5986   61.381   10.965   56.054   13.856   94.570   8.5564   89.936   11.369 4.634399 14.22893 
1 1 1  -21   17    8 o  105.650   6.5858   77.151   9.2332   78.711   11.979   74.869   14.492  107.143   8.2507  104.158   10.267 2.984802 13.17156 
1 1 1  -21   17    9 o  150.598   5.8935  156.021   11.696  157.668   14.944  153.416   18.790  151.845   7.2625  149.351   9.2838 2.493881 11.78702 
1 1 1  -21   17   10 o   86.406   7.2840   51.402   8.4526   50.615   11.192   52.446   12.895   85.737   9.6332   87.075   10.928 -1.338203 14.56801 
1 1 1  -21   17   11 o   71.269   8.9704   38.724   8.0515   52.595   10.897   22.043   11.949   87.461   9.1939   55.077   15.406 32.38369 17.94082 
1 1 1  -21   17   12 o  146.618   5.8240  144.600   11.325  134.718   14.396  160.645   18.344  140.303   7.5718  152.932   8.8513 -12.62907 11.64803 
1 1 1  -21   17   13 o  107.186   6.5639   78.059   9.4219   73.131   12.265   85.153   14.717  103.195   8.7705  111.177   9.7681 -7.982056 13.12777 
1 1 1  -21   17   14 o  107.185   6.4231   77.936   9.2391   71.956   12.090   86.332   14.324  102.368   8.7153  112.002   9.4376 -9.632957 12.84625 
1 1 1  -21   17   15 o   71.502   10.801   38.837   9.8617   29.895   16.738   43.591   12.205   63.698   18.375   79.307   11.357 -15.60916 21.60113 
1 1 1  -21   17   16 f   71.097   10.696   36.555   9.6310   35.442   16.755   37.104   11.770   69.111   17.786   73.083   11.884 -3.972717 21.39100 
1 1 1  -21   17   17 o  131.833   6.1151  118.936   10.795  116.727   14.157  122.006   16.685  130.500   8.0055  133.165   9.2462 -2.664337 12.23029 
1 1 1  -21   17   18 o  110.444   6.6587   81.981   9.8306   66.545   12.891  103.436   15.197   98.266   9.6804  122.623   9.1456 -24.35716 13.31738 
1 1 1  -21   17   19 o  108.241   6.7427   80.037   9.8225   75.261   13.010   86.370   14.980  104.582   9.1798  111.900   9.8785 -7.317886 13.48532 
1 1 1  -21   17   20 o   44.719   10.522   13.428   7.5248   10.831   10.663   16.005   10.621   41.805   14.912   47.634   14.849 -5.828663 21.04434 
1 1 1  -21   17   21 o   81.486   7.8658   45.947   8.6754   43.985   11.921   48.157   12.650   79.653   11.044   83.318   11.204 -3.664322 15.73153 
1 1 1  -21   17   22 o   29.808   13.117  -2.2712   10.267  -2.2712   10.267   0.0000   0.0000   29.808   13.117  ?   ?       ?      ? 
1 1 1  -21   17   23 o   55.034   10.127   22.103   8.0324   31.513   11.285   12.441   11.435   66.033   13.074   44.036   15.470 21.99749 20.25449 
1 1 1  -21   17   24 o   85.275   7.8324   50.887   8.9733   56.028   12.385   45.207   13.019   90.008   10.154   80.541   11.928 9.466728 15.66472 
1 1 1  -21   17   25 o  137.478   6.5251  133.546   11.838  157.781   16.139  105.321   17.417  151.644   7.8535  123.311   10.423 28.33266 13.05027 
1 1 1  -21   17   26 o  136.267   6.2829  127.103   11.554  119.616   15.503  136.458   17.329  131.832   8.6776  140.702   9.0885 -8.869614 12.56589 
1 1 1  -21   17   27 o   92.041   7.6098   58.630   9.4444   50.986   12.988   67.209   13.759   85.603   11.196   98.479   10.310 -12.87585 15.21966 
1 1 1  -21   17   28 o  172.159   5.6438  201.611   12.448  197.510   15.224  209.881   21.621  169.918   6.6117  174.400   9.1485 -4.482208 11.28761 
1 1 1  -21   17   29 o  153.325   5.5973  155.174   10.975  143.453   13.251  180.774   19.584  144.761   6.7549  161.889   8.9269 -17.12790 11.19457 
1 1 1  -21   17   30 o  138.727   5.8087  131.079   10.289  128.422   12.543  136.547   17.991  136.946   6.7588  140.509   9.4488 -3.562881 11.61732 
1 1 1  -21   17   31 o  155.718   5.5089  162.258   10.925  154.267   13.199  179.639   19.466  150.135   6.4876  161.301   8.9053 -11.16612 11.01789 
1 1 1  -21   17   32 o   81.999   7.8510   47.089   8.6909   49.150   11.966   44.789   12.644   84.030   10.508   79.969   11.668 4.061501 15.70201 
1 1 1  -21   17   33 o   98.089   8.5180   69.539   10.904   58.525   17.012   77.219   14.205   90.747   13.834  105.432   9.9425 -14.68472 17.03604 
1 1 1  -21   17   34 o   66.144   10.192   36.740   9.3599   12.651   15.322   51.083   11.822   46.626   17.658   85.662   10.184 -39.03593 20.38444 
1 1 1  -21   17   35 o   96.172   6.4059   62.136   8.1239   56.237   10.185   72.456   13.470   90.250   8.3274  102.093   9.7362 -11.84224 12.81175 
1 1 1  -21   17   36 o  111.161   6.0994   84.344   8.8119   81.537   10.926   89.566   14.904  108.853   7.4072  113.468   9.6924 -4.615494 12.19874 
1 1 1  -21   17   37 o  105.213   6.2404   72.034   8.5457   60.922   10.454   94.413   14.836   93.891   8.2164  116.534   9.3948 -22.64289 12.48080 
1 1 1  -21   17   38 o   78.676   7.6853   44.047   7.7200   45.351   9.5459   41.580   13.125   80.876   8.7099   76.476   12.665 4.400055 15.37063 
1 1 1  -21   17   39 f   84.417   8.5274   49.408   9.7550   49.408   9.7550   0.0000   0.0000   84.417   8.5274  ?   ?       ?      ? 
1 1 1  -21   17   40 o   81.794   7.2874   48.157   7.6728   51.515   9.6878   42.507   12.568   86.213   8.2922   77.375   11.986 8.837700 14.57489 
1 1 1  -21   17   41 f   44.698   9.9736   14.439   6.6754   14.495   8.6152   14.355   10.560   44.487   13.279   44.908   14.885 -0.4209976 19.94715 
1 1 1  -21   17   42 o  130.164   5.8897  117.719   9.8251  117.804   12.090  117.556   16.860  130.758   6.8231  129.570   9.6019 1.187790 11.77933 
1 1 1  -21   17   43 o  102.284   6.3870   71.435   8.5058   67.412   10.525   79.009   14.441   98.593   7.8777  105.975   10.056 -7.381584 12.77402 
1 1 1  -21   17   44 o   66.669   8.2032   30.385   7.0670   22.766   8.9328   43.130   11.554   55.379   12.230   77.960   10.936 -22.58075 16.40645 
1 1 1  -21   17   45 o   57.335   9.3139   23.887   6.9503   20.699   8.8321   29.074   11.264   52.604   12.563   62.067   13.754 -9.463570 18.62783 
1 1 1  -21   17   46 o   99.821   7.4218   70.459   9.9379   68.803   13.096   72.707   15.259   98.740   9.7872  100.901   11.160 -2.160980 14.84359 
1 1 1  -21   17   47 o   24.385   11.518 -10.0019   9.9905 -10.0019   9.9905   0.0000   0.0000   24.385   11.518  ?   ?       ?      ? 
1 1 1  -21   17   48 o   52.234   14.962   21.079   11.133   21.079   11.133   0.0000   0.0000   52.234   14.962  ?   ?       ?      ? 
1 1 1  -21   17   49 o   31.028   9.0460  -2.0785   6.9589   10.463   10.299 -12.6169   9.4402   39.813   14.593   22.243   10.695 17.57039 18.09197 
1 1 1  -21   17   50 o   61.234   9.4243   28.427   7.5493   26.954   10.028   30.352   11.468   59.621   12.795   62.846   13.840 -3.224972 18.84864 
1 1 1  -21   17   51 o   53.406   9.9200   22.374   7.2990   24.615   9.7918   19.572   10.950   56.727   13.014   50.084   14.975 6.643162 19.83997 
1 1 1  -21   17   52 o   39.187   9.5037   8.9060   6.7241   0.7560   9.1006   18.704   9.9785   29.341   12.635   49.033   14.200 -19.69214 19.00732 
1 1 1  -21   17   53 o   51.454   9.6105   19.731   7.0171   12.540   9.2952   29.260   10.700   41.249   13.968   61.659   13.203 -20.41024 19.22105 
1 1 1  -21   17   54 o   34.184   13.405   6.3945   9.0492   6.3945   9.0492   0.0000   0.0000   34.184   13.405  ?   ?       ?      ? 
1 1 1  -21   17   55 o   43.877   9.7041   14.717   6.9955   21.419   9.3285   6.1053   10.575   52.442   13.150   35.313   14.274 17.12904 19.40823 
1 1 1  -21   17   56 o   74.885   8.3497   42.338   8.0672   44.434   10.564   39.407   12.494   78.458   9.9364   71.313   13.421 7.144638 16.69936 
1 1 1  -21   17   57 o   55.450   9.7747   22.997   7.4729   14.779   9.6645   35.216   11.784   43.675   14.228   67.224   13.406 -23.54886 19.54930 
1 1 1  -21   17   58 o   44.382   10.257   14.310   7.1921   9.2691   9.3343   21.675   11.283   37.124   13.840   51.640   15.141 -14.51631 20.51374 
1 1 1  -21   17   59 o   39.038   9.1978   5.9003   6.9487  -6.3775   9.0620   23.421   10.825   24.269   11.303   53.806   14.513 -29.53771 18.39557 
1 1 1  -21   17   60 o   45.340   10.622   12.480   8.5587   29.530   13.387   0.6936   11.130   59.284   16.202   31.396   13.740 27.88831 21.24357 
1 1 1  -21   17   61 o   39.330   10.789   8.5530   8.5044   17.278   12.910   1.8637   11.304   46.347   16.421   32.314   13.997 14.03306 21.57741 
1 1 1  -21   17   62 o   69.925   14.625   39.678   13.413   0.0000   0.0000   39.678   13.413  ?   ?    69.925   14.625      ?      ? 
1 1 1  -21   17   63 o   79.330   13.092   48.683   14.074   0.0000   0.0000   48.683   14.074  ?   ?    79.330   13.092      ?      ? 
1 1 1  -21   17   64 o   43.384   15.790   14.903   12.027   0.0000   0.0000   14.903   12.027  ?   ?    43.384   15.790      ?      ? 
1 1 1  -21   17   65 o   95.094   12.556   69.961   16.180   0.0000   0.0000   69.961   16.180  ?   ?    95.094   12.556      ?      ? 
1 1 1  -21   17   66 o   29.569   13.470  -2.8690   11.894   0.0000   0.0000  -2.8690   11.894  ?   ?    29.569   13.470      ?      ? 
1 1 1  -21   18    1 o   55.269   9.0167   22.475   6.6052   23.324   9.0010   21.484   9.7230   56.555   12.110   53.983   13.363 2.572792 18.03346 
1 1 1  -21   18    2 o   55.584   8.8917   22.354   6.5702   17.541   8.9056   28.103   9.7328   48.903   13.152   62.265   11.970 -13.36155 17.78343 
1 1 1  -21   18    3 o   51.885   9.1338   19.468   6.4569   14.998   8.7538   24.803   9.5626   45.487   13.337   58.283   12.483 -12.79667 18.26766 
1 1 1  -21   18    4 o   49.456   9.3782   17.663   6.4516   14.267   8.7303   21.748   9.5761   44.518   13.385   54.394   13.139 -9.876244 18.75636 
1 1 1  -21   18    5 o   87.423   6.4442   52.616   7.6048   46.647   10.371   59.558   11.184   82.045   9.3282   92.800   8.8935 -10.75532 12.88838 
1 1 1  -21   18    6 o   88.536   6.3996   54.250   7.6698   54.455   10.616   54.027   11.094   88.756   8.8262   88.316   9.2694 0.4397354 12.79929 
1 1 1  -21   18    7 o  102.935   6.5007   76.330   8.1087   80.618   9.6965   66.358   14.787  108.471   6.5966   97.398   11.204 11.07339 13.00139 
1 1 1  -21   18    8 o  108.548   5.8480   73.222   7.9120   62.393   9.2536  102.659   15.257   95.334   7.1627  121.761   9.2463 -26.42641 11.69607 
1 1 1  -21   18    9 o   99.596   6.0685   65.963   7.6012   62.033   9.0642   75.278   13.953   95.082   7.0347  104.109   9.8904 -9.026360 12.13698 
1 1 1  -21   18   10 o   57.630   8.8784   24.372   6.4624   25.419   7.8385   22.151   11.419   60.547   9.5533   54.713   14.968 5.834812 17.75680 
1 1 1  -21   18   11 f   70.427   8.7781   36.474   7.9318   40.910   10.429   30.388   12.216   76.722   10.031   64.131   14.408 12.59090 17.55612 
1 1 1  -21   18   12 o   77.461   8.3431   43.385   8.2965   46.633   10.842   38.796   12.887   81.967   9.7608   72.956   13.533 9.010490 16.68617 
1 1 1  -21   18   13 o  100.949   6.1466   66.671   7.8256   60.857   9.3099   80.668   14.446   94.130   7.2985  107.767   9.8921 -13.63676 12.29313 
1 1 1  -21   18   14 o  107.491   5.9369   74.845   8.0953   66.860   9.6542   93.759   14.858   98.675   7.2199  116.308   9.4266 -17.63300 11.87382 
1 1 1  -21   18   15 o   85.268   6.6701   47.144   7.3332   40.589   8.8682   61.319   13.041   76.676   8.5348   93.859   10.253 -17.18303 13.34019 
1 1 1  -21   18   16 o   74.015   7.8904   39.180   7.1483   39.828   8.7021   37.835   12.534   75.962   8.4537   72.068   13.325 3.894226 15.78071 
1 1 1  -21   18   17 o   42.632   9.1846   13.325   6.3022   18.662   7.8951   3.9534   10.463   50.608   11.740   34.655   14.128 15.95344 18.36911 
1 1 1  -21   18   18 o   40.047   12.505   11.310   7.5285   11.310   7.5285   0.0000   0.0000   40.047   12.505  ?   ?       ?      ? 
1 1 1  -21   18   19 o   51.648   11.625   19.424   7.9397   19.424   7.9397   0.0000   0.0000   51.648   11.625  ?   ?       ?      ? 
1 1 1  -21   18   20 o   60.661   8.2715   23.705   6.4673   15.688   7.9546   39.337   11.108   46.342   12.416   74.980   10.932 -28.63798 16.54290 
1 1 1  -21   18   21 o   42.636   9.4735   13.238   6.2733   16.416   7.8242   7.5161   10.497   47.377   12.134   37.895   14.552 9.481804 18.94699 
1 1 1  -21   18   22 o   61.789   8.8684   29.468   6.8989   33.853   8.5743   21.419   11.618   69.881   9.0543   53.696   15.252 16.18481 17.73683 
1 1 1  -21   18   23 o  134.548   5.7305  123.246   9.7264  120.315   11.717  129.744   17.444  132.447   6.5281  136.648   9.4200 -4.201065 11.46095 
1 1 1  -21   18   24 o  109.146   5.9874   79.346   8.4345   72.973   10.280   92.472   14.754  102.963   7.3677  115.329   9.4401 -12.36627 11.97486 
1 1 1  -21   18   25 o   60.489   8.5352   24.326   6.7428   16.803   8.4317   37.670   11.230   47.804   12.773   73.174   11.325 -25.36991 17.07032 
1 1 1  -21   18   26 o  113.750   5.9633   88.079   8.7147   84.995   10.658   94.298   15.137  111.155   7.0758  116.346   9.6009 -5.191193 11.92663 
1 1 1  -21   18   27 o  117.260   5.9320   94.522   8.8669   93.183   10.810   97.274   15.500  116.421   6.8522  118.100   9.6851 -1.679977 11.86392 
1 1 1  -21   18   28 o   68.708   8.7604   34.238   7.9247   36.176   10.805   31.983   11.658   71.663   11.126   65.752   13.534 5.910637 17.52071 
1 1 1  -21   18   29 o   41.678   14.677   11.533   10.298   0.0000   0.0000   11.533   10.298  ?   ?    41.678   14.677      ?      ? 
1 1 1  -21   18   30 o   79.817   7.8486   45.182   8.4267   47.307   11.436   42.658   12.465   82.108   10.278   77.527   11.865 4.581604 15.69729 
1 1 1  -21   18   31 o   44.270   9.4000   14.515   6.6287   20.602   8.5959   5.5832   10.412   52.806   12.250   35.733   14.261 17.07299 18.79997 
1 1 1  -21   18   32 o   33.358   9.3001   3.9592   6.2028   0.4965   7.9686   9.2830   9.8807   27.903   11.914   38.814   14.283 -10.91024 18.60016 
1 1 1  -21   18   33 o   53.583   9.6857   21.515   6.9052   21.627   8.7006   21.324   11.350   54.067   12.169   53.099   15.072 0.9678612 19.37147 
1 1 1  -21   18   34 o   65.070   8.4956   29.827   7.0352   25.816   8.8246   36.823   11.654   59.414   11.375   70.726   12.622 -11.31235 16.99120 
1 1 1  -21   18   35 o   53.873   9.5303   21.634   6.7266   21.285   8.3591   22.275   11.330   53.652   11.816   54.093   14.956 -0.4410896 19.06070 
1 1 1  -21   18   36 o   37.972   12.953   9.8965   7.9936   9.8965   7.9936   0.0000   0.0000   37.972   12.953  ?   ?       ?      ? 
1 1 1  -21   18   37 o   40.250   9.8806   10.035   6.4630   6.7781   8.0844   15.803   10.758   34.208   12.855   46.292   15.008 -12.08413 19.76119 
1 1 1  -21   18   38 o   24.290   7.9117  -5.8378   5.8947  -7.6392   7.6350  -3.1795   9.2749   21.507   10.131   27.074   12.155 -5.566772 15.82340 
1 1 1  -21   18   39 o   33.536   9.2359   4.6051   6.0120   1.2930   7.6271   10.040   9.7701   27.884   11.771   39.188   14.236 -11.30450 18.47189 
1 1 1  -21   18   40 o   38.632   8.8477   9.9702   6.2007   17.459   7.9813  -1.4317   9.8482   48.211   12.205   29.053   12.813 19.15799 17.69550 
1 1 1  -21   18   41 o   38.991   9.7356   10.341   6.3327   10.175   8.2031   10.587   9.9629   38.205   13.120   39.777   14.387 -1.572731 19.47124 
1 1 1  -21   18   42 o   51.757   9.9857   20.640   7.1785   20.574   9.6996   20.720   10.674   51.784   13.635   51.729   14.593 0.5442429E-01 19.97147 
1 1 1  -21   18   43 o   40.215   10.155   11.138   6.9728   10.798   9.4410   11.546   10.343   39.544   14.039   40.886   14.675 -1.342567 20.30943 
1 1 1  -21   18   44 o   37.181   8.8130   3.6708   6.6858  -9.9518   8.9564   20.815   10.048   22.555   10.727   51.807   13.986 -29.25172 17.62590 
1 1 1  -21   18   45 o   40.246   10.927   8.6357   8.2138   16.045   13.645   4.4254   10.286   46.653   16.843   33.838   13.926 12.81503 21.85460 
1 1 1  -21   18   46 o   67.137   10.687   37.389   9.6438   25.529   15.378   45.077   12.381   55.748   17.930   78.525   11.635 -22.77693 21.37393 
1 1 1  -21   18   47 o   64.362   9.0707   30.243   7.7148   21.842   10.058   42.250   12.024   52.822   13.873   75.902   11.690 -23.07969 18.14149 
1 1 1  -21   18   48 o   78.575   7.7708   44.456   8.2140   40.783   10.846   49.395   12.578   74.969   10.676   82.181   11.295 -7.211922 15.54153 
1 1 1  -21   18   49 o   58.664   9.7268   26.613   7.5515   23.718   9.9830   30.484   11.546   55.053   13.487   62.275   14.019 -7.222538 19.45364 
1 1 1  -21   18   50 o   42.704   10.200   13.939   7.1015   16.245   9.2935   10.703   11.009   45.596   13.833   39.813   14.994 5.783798 20.40018 
1 1 1  -21   18   51 f   57.717   12.736   25.823   9.6943   25.823   9.6943   0.0000   0.0000   57.717   12.736  ?   ?       ?      ? 
1 1 1  -21   18   52 o   51.838   13.619   21.293   9.6913   21.293   9.6913   0.0000   0.0000   51.838   13.619  ?   ?       ?      ? 
1 1 1  -21   18   53 o   42.497   10.499   13.685   7.3630   13.582   9.5416   13.837   11.577   42.072   14.153   42.921   15.511 -0.8482933 20.99757 
1 1 1  -21   18   54 o   91.542   12.816   63.671   15.899   0.0000   0.0000   63.671   15.899  ?   ?    91.542   12.816      ?      ? 
1 1 1  -21   18   56 o   47.297   16.976   18.203   13.840   18.203   13.840   0.0000   0.0000   47.297   16.976  ?   ?       ?      ? 
1 1 1  -21   18   57 o   38.364   10.768   9.0827   8.5005   4.8132   12.965   12.302   11.258   35.854   15.251   40.875   15.207 -5.020832 21.53697 
1 1 1  -21   18   58 o   43.610   10.727   14.228   8.7566   2.0505   13.325   23.486   11.618   34.289   15.019   52.930   15.320 -18.64124 21.45432 
1 1 1  -21   18   59 o   43.528   15.674   15.092   11.806   0.0000   0.0000   15.092   11.806  ?   ?    43.528   15.674      ?      ? 
1 1 1  -21   18   60 o   24.788   11.747  -9.2595   10.554   0.0000   0.0000  -9.2595   10.554  ?   ?    24.788   11.747      ?      ? 
1 1 1  -21   18   61 o   55.989   15.463   26.941   12.119   0.0000   0.0000   26.941   12.119  ?   ?    55.989   15.463      ?      ? 
1 1 1  -21   18   62 o   51.492   15.971   23.306   12.303   0.0000   0.0000   23.306   12.303  ?   ?    51.492   15.971      ?      ? 
1 1 1  -21   18   63 o   37.034   14.967   8.9490   11.624   0.0000   0.0000   8.9490   11.624  ?   ?    37.034   14.967      ?      ? 
1 1 1  -21   19    1 o   45.070   9.7239   14.705   7.3255   3.2811   11.237   23.147   9.6601   34.566   14.419   55.574   13.050 -21.00757 19.44781 
1 1 1  -21   19    2 o   34.333   9.6264   5.1827   6.6153   7.3574   10.171   3.5883   8.7089   36.974   14.290   31.693   12.902 5.280935 19.25287 
1 1 1  -21   19    3 o   45.587   9.4992   14.967   6.2772   11.831   8.3024   19.152   9.5909   40.700   13.183   50.474   13.680 -9.774590 18.99837 
1 1 1  -21   19    4 o   48.993   9.1385   18.175   6.3429   23.220   8.6818   12.398   9.2894   56.116   11.791   41.870   13.965 14.24546 18.27705 
1 1 1  -21   19    5 o   83.482   6.5242   48.645   7.3649   44.403   10.172   53.320   10.678   79.607   9.4289   87.358   9.0199 -7.750572 13.04847 
1 1 1  -21   19    6 o  102.123   6.7096   72.107   8.9456   69.516   11.157   76.770   14.969  100.008   8.2324  104.238   10.597 -4.230194 13.41913 
1 1 1  -21   19    7 o   48.079   10.064   17.612   7.1984   21.287   9.3176   12.171   11.337   53.368   13.003   42.789   15.364 10.57937 20.12795 
1 1 1  -21   19    8 o   50.560   9.7113   17.292   6.9918   10.134   8.8700   29.040   11.362   38.933   13.627   62.187   13.840 -23.25469 19.42262 
1 1 1  -21   19    9 o   50.721   8.9501   20.972   6.2138   25.111   7.3555   10.657   11.612   59.960   9.0524   41.482   15.442 18.47849 17.90018 
1 1 1  -21   19   10 o   73.628   7.7831   38.946   6.7662   39.045   8.0061   38.699   12.658   75.042   7.8729   72.214   13.429 2.828255 15.56629 
1 1 1  -21   19   11 f   66.132   7.8783   29.985   6.4479   27.465   7.7335   35.731   11.678   62.698   9.1020   69.566   12.862 -6.867283 15.75654 
1 1 1  -21   19   12 o   44.053   9.4504   13.429   5.8289   11.696   7.0675   17.115   10.307   40.134   12.038   47.972   14.571 -7.837444 18.90086 
1 1 1  -21   19   13 o   56.468   8.8733   21.387   6.2890   16.820   7.5550   31.693   11.350   47.691   11.763   65.245   13.288 -17.55364 17.74667 
1 1 1  -21   19   14 o   69.250   7.8457   30.422   6.7692   23.406   8.0361   47.563   12.560   56.681   10.858   81.819   11.328 -25.13755 15.69135 
1 1 1  -21   19   15 o  110.149   6.6947   83.611   9.9930   83.611   9.9930   0.0000   0.0000  110.149   6.6947  ?   ?       ?      ? 
1 1 1  -21   19   16 o   72.987   8.5331   37.102   8.4398   37.102   8.4398   0.0000   0.0000   72.987   8.5331  ?   ?       ?      ? 
1 1 1  -21   19   17 o   54.627   9.2379   22.565   6.5120   23.358   8.0121   21.023   11.178   56.604   10.840   52.651   14.962 3.952934 18.47580 
1 1 1  -21   19   18 o   41.737   9.7558   12.135   6.1513   11.778   7.4968   12.870   10.761   40.333   12.460   43.142   15.015 -2.809212 19.51153 
1 1 1  -21   19   19 o   48.244   9.4689   15.246   6.2122   10.553   7.5145   25.379   11.041   38.612   12.545   57.877   14.187 -19.26501 18.93786 
1 1 1  -21   19   20 o   43.855   9.7745   14.164   6.3016   15.074   7.6131   12.186   11.230   45.069   12.177   42.640   15.293 2.428944 19.54909 
1 1 1  -21   19   21 f  118.673   6.0648   97.230   8.9227   95.713   10.628  100.854   16.426  117.802   6.6573  119.544   10.139 -1.742012 12.12959 
1 1 1  -21   19   22 o  110.216   6.2089   82.867   8.6717   79.299   10.450   90.760   15.542  107.049   7.2033  113.382   10.115 -6.332268 12.41781 
1 1 1  -21   19   23 o   62.280   10.477   31.007   9.0849   19.179   14.334   38.949   11.745   50.835   17.345   73.724   11.756 -22.88912 20.95398 
1 1 1  -21   19   24 o   63.225   10.722   30.263   8.9270   33.528   14.174   28.117   11.493   65.662   16.062   60.788   14.207 4.874123 21.44326 
1 1 1  -21   19   25 o   98.385   6.7420   70.290   8.3160   74.525   10.213   61.960   14.324  103.700   7.2679   93.070   11.358 10.62987 13.48394 
1 1 1  -21   19   26 o   95.122   7.3651   64.124   9.4418   63.176   12.672   65.308   14.156   94.546   9.8906   95.699   10.916 -1.152412 14.73023 
1 1 1  -21   19   27 o   75.930   8.3709   41.355   8.5895   39.327   11.634   43.785   12.736   73.980   11.604   77.879   12.068 -3.899834 16.74178 
1 1 1  -21   19   28 f   53.506   9.2241   22.678   6.8441   27.537   8.6321   14.453   11.231   62.271   10.229   44.741   15.352 17.53085 18.44815 
1 1 1  -21   19   29 o   68.203   8.7925   33.918   7.8888   27.203   10.643   42.105   11.752   59.850   13.450   76.557   11.328 -16.70653 17.58500 
1 1 1  -21   19   30 o   81.647   7.7558   47.545   8.5152   45.929   11.289   49.679   12.970   80.279   10.377   83.014   11.530 -2.735062 15.51153 
1 1 1  -21   19   31 o   61.742   9.2541   27.323   7.7115   17.000   10.067   41.985   11.997   47.261   14.410   76.223   11.615 -28.96291 18.50828 
1 1 1  -21   19   32 o   66.011   11.791   32.348   10.160   32.348   10.160   0.0000   0.0000   66.011   11.791  ?   ?       ?      ? 
1 1 1  -21   19   33 o   81.442   10.052   47.300   11.094   47.300   11.094   0.0000   0.0000   81.442   10.052  ?   ?       ?      ? 
1 1 1  -21   19   34 o   73.871   8.2069   39.336   8.1359   37.582   10.695   41.746   12.534   72.211   10.930   75.531   12.246 -3.320152 16.41382 
1 1 1  -21   19   35 o   46.009   10.045   14.425   7.2315   7.1272   9.3878   25.075   11.340   35.466   13.723   56.551   14.672 -21.08407 20.08975 
1 1 1  -21   19   36 o   34.122   9.5943   5.7034   6.7219   8.0794   8.8093   2.3919   10.400   35.915   13.435   32.329   13.701 3.586884 19.18865 
1 1 1  -21   19   37 o   69.712   8.7729   34.874   7.9436   25.448   10.262   48.967   12.547   57.373   13.435   82.050   11.285 -24.67729 17.54578 
1 1 1  -21   19   38 o   69.264   8.8786   36.595   7.9537   39.553   10.467   32.552   12.236   74.057   10.430   64.471   14.372 9.585526 17.75729 
1 1 1  -21   19   39 o   26.598   8.3444  -3.8924   6.2229  -9.8492   8.3919   3.3846   9.2753   21.547   10.285   31.649   13.143 -10.10238 16.68879 
1 1 1  -21   19   40 o   34.107   9.4171   3.7289   6.8155  -3.7952   9.1519   13.097   10.212   26.109   11.863   42.106   14.629 -15.99701 18.83428 
1 1 1  -21   19   41 o   48.977   10.210   18.673   7.2565   15.616   9.7860   22.407   10.815   44.903   14.288   53.051   14.589 -8.147675 20.42079 
1 1 1  -21   19   42 o   58.440   10.806   29.554   9.1799   16.287   14.888   37.693   11.660   46.697   17.465   70.183   12.729 -23.48661 21.61169 
1 1 1  -21   19   43 o   58.159   11.260   28.593   9.1955   22.817   15.065   32.022   11.609   52.472   17.783   63.846   13.819 -11.37325 22.52081 
1 1 1  -21   19   44 o   24.797   8.1503  -6.9072   6.6020  -9.8936   8.9367  -3.3191   9.7957   22.354   10.655   27.241   12.336 -4.886646 16.30068 
1 1 1  -21   19   45 o   37.297   9.7845   7.9642   6.8576   2.3085   9.1299   15.286   10.388   30.309   12.841   44.285   14.767 -13.97676 19.56903 
1 1 1  -21   19   46 o   49.978   9.1455   17.034   7.2476   3.5729   9.4918   35.856   11.224   31.758   13.250   68.198   12.609 -36.43996 18.29106 
1 1 1  -21   19   47 o   32.782   9.7805  -1.7032   7.8363   12.378   12.606 -10.5714   10.004   41.890   15.980   23.675   11.282 18.21456 19.56103 
1 1 1  -21   19   48 o   44.412   16.612   14.921   13.468   14.921   13.468   0.0000   0.0000   44.412   16.612  ?   ?       ?      ? 
1 1 1  -21   19   49 o   43.234   16.612   13.594   13.683   13.594   13.683   0.0000   0.0000   43.234   16.612  ?   ?       ?      ? 
1 1 1  -21   19   50 o   55.495   9.1680   23.515   9.2589  -5.1849   13.622   48.157   12.623   30.833   14.183   80.156   11.621 -49.32280 18.33600 
1 1 1  -21   19   51 o   36.759   10.285   6.6365   8.3613  -4.3325   12.864   14.660   11.002   30.324   13.888   43.193   15.174 -12.86891 20.56970 
1 1 1  -21   19   52 o   42.277   11.285   13.130   8.7486   15.910   13.494   11.114   11.491   44.831   16.655   39.723   15.232 5.108669 22.57024 
1 1 1  -21   19   53 o   36.417   10.353   6.5382   8.3887  -2.3814   12.607   13.624   11.237   30.897   13.993   41.937   15.263 -11.04001 20.70646 
1 1 1  -21   19   54 o   47.287   11.707   18.980   9.2752   17.463   13.911   20.194   12.446   45.937   16.941   48.637   16.161 -2.700569 23.41336 
1 1 1  -21   19   55 o   37.171   10.842   7.4205   8.8072   11.122   13.356   4.5724   11.715   40.219   16.117   34.123   14.505 6.095692 21.68322 
1 1 1  -21   19   56 o   46.685   16.002   18.694   12.200   0.0000   0.0000   18.694   12.200  ?   ?    46.685   16.002      ?      ? 
1 1 1  -21   19   57 o   29.008   13.141  -1.9935   11.125   0.0000   0.0000  -1.9935   11.125  ?   ?    29.008   13.141      ?      ? 
1 1 1  -21   19   58 o   47.196   16.100   19.700   12.349   0.0000   0.0000   19.700   12.349  ?   ?    47.196   16.100      ?      ? 
1 1 1  -21   19   59 o   38.076   15.337   10.226   12.163   0.0000   0.0000   10.226   12.163  ?   ?    38.076   15.337      ?      ? 
1 1 1  -21   19   60 o   27.902   12.961  -4.7831   11.785   0.0000   0.0000  -4.7831   11.785  ?   ?    27.902   12.961      ?      ? 
1 1 1  -21   19   61 o   33.065   14.529   3.5302   12.556   0.0000   0.0000   3.5302   12.556  ?   ?    33.065   14.529      ?      ? 
1 1 1  -21   20    1 o   38.005   9.9189   9.4815   6.7595   8.5166   9.8070   10.355   9.3297   37.186   14.117   38.825   13.938 -1.638790 19.83790 
1 1 1  -21   20    2 o   72.519   9.0742   41.185   8.3707   27.392   12.294   53.106   11.429   58.779   15.289   86.260   9.7776 -27.48045 18.14841 
1 1 1  -21   20    3 o   80.613   10.313   46.625   11.266   0.0000   0.0000   46.625   11.266  ?   ?    80.613   10.313      ?      ? 
1 1 1  -21   20    4 o   60.934   13.597   28.586   10.943   0.0000   0.0000   28.586   10.943  ?   ?    60.934   13.597      ?      ? 
1 1 1  -21   20    5 o   75.367   8.7495   43.910   8.3246   31.647   12.411   53.940   11.224   63.635   14.689   87.099   9.5095 -23.46405 17.49890 
1 1 1  -21   20    6 o   75.696   8.0696   39.361   7.8516   34.993   9.4941   48.812   13.966   69.985   10.011   81.407   12.659 -11.42255 16.13929 
1 1 1  -21   20    7 o   93.407   7.0985   58.057   8.4847   50.195   10.180   75.939   15.354   84.279   8.9138  102.535   11.050 -18.25623 14.19696 
1 1 1  -21   20    8 o   52.474   10.247   20.275   7.1335   17.898   8.6152   25.458   12.722   48.396   12.901   56.552   15.924 -8.156590 20.49445 
1 1 1  -21   20    9 o   52.943   10.159   20.249   7.1275   16.780   8.6479   27.597   12.586   46.868   13.105   59.019   15.527 -12.15097 20.31832 
1 1 1  -21   20   10 o   66.724   9.1202   33.862   7.4977   34.799   9.0997   31.881   13.231   69.955   9.5990   63.493   15.510 6.462536 18.24049 
1 1 1  -21   20   11 o   59.486   11.452   26.361   8.8966   26.361   8.8966   0.0000   0.0000   59.486   11.452  ?   ?       ?      ? 
1 1 1  -21   20   12 f   55.048   12.342   22.951   8.9796   22.951   8.9796   0.0000   0.0000   55.048   12.342  ?   ?       ?      ? 
1 1 1  -21   20   13 o   54.086   9.5159   20.454   6.8751   14.027   8.5245   32.415   11.629   43.154   13.279   65.018   13.634 -21.86402 19.03175 
1 1 1  -21   20   14 o   57.767   9.4963   27.399   7.4291   33.287   9.2852   16.926   12.385   68.256   10.039   47.278   16.123 20.97787 18.99265 
1 1 1  -21   20   15 o   73.417   8.6836   41.482   7.9362   45.734   10.068   34.503   12.897   80.312   9.2507   66.523   14.699 13.78877 17.36728 
1 1 1  -21   20   16 o   65.162   9.2357   30.616   7.6642   25.271   9.5613   40.223   12.819   57.684   12.585   72.640   13.520 -14.95674 18.47136 
1 1 1  -21   20   17 o   61.760   9.4615   27.646   7.4915   22.569   9.3402   36.803   12.544   54.317   12.884   69.202   13.859 -14.88538 18.92299 
1 1 1  -21   20   18 o   69.536   10.069   37.333   9.1618   39.253   13.303   35.601   12.636   71.256   14.274   67.816   14.205 3.440163 20.13807 
1 1 1  -21   20   19 o   74.700   9.6009   41.819   9.3910   54.177   13.966   31.619   12.688   86.040   11.978   63.360   15.008 22.67948 19.20189 
1 1 1  -21   20   20 o   47.589   10.094   15.905   7.0618   10.315   8.9166   25.311   11.567   38.533   13.648   56.644   14.877 -18.11072 20.18881 
1 1 1  -21   20   21 o   55.676   9.8864   23.892   7.2866   23.090   9.2295   25.221   11.872   54.971   12.652   56.380   15.195 -1.408802 19.77277 
1 1 1  -21   20   22 o   40.600   11.056   9.3246   8.5203   15.330   13.551   5.3983   10.957   45.881   16.751   35.319   14.435 10.56237 22.11266 
1 1 1  -21   20   23 o   84.105   9.5386   52.070   10.506   64.558   16.439   43.449   13.659   93.117   13.028   75.093   13.936 18.02464 19.07726 
1 1 1  -21   20   24 o   79.585   7.7404   44.784   8.1542   40.801   10.307   51.448   13.332   75.371   10.091   83.800   11.740 -8.429680 15.48080 
1 1 1  -21   20   25 o   39.838   9.1548   10.326   6.8456   20.104   9.0059  -3.0557   10.535   51.019   12.991   28.657   12.902 22.36167 18.30968 
1 1 1  -21   20   26 o   44.937   8.8406   10.956   6.7161  -1.3777   8.5778   30.495   10.797   26.883   11.902   62.992   13.076 -36.10979 17.68128 
1 1 1  -21   20   27 o   59.047   9.6083   27.472   7.4421   29.056   9.6310   25.125   11.725   62.033   11.890   56.060   15.097 5.972889 19.21654 
1 1 1  -21   20   28 o   27.648   8.5349  -2.4951   6.5554   4.6377   8.6810 -11.9594   9.9996   32.052   12.941   23.244   11.131 8.808313 17.06980 
1 1 1  -21   20   29 o   39.617   13.854   11.334   9.1661   11.334   9.1661   0.0000   0.0000   39.617   13.854  ?   ?       ?      ? 
1 1 1  -21   20   30 o   39.757   13.726   11.547   8.9841   11.547   8.9841   0.0000   0.0000   39.757   13.726  ?   ?       ?      ? 
1 1 1  -21   20   31 o   56.491   9.9243   24.921   7.4277   23.751   9.4981   26.763   11.917   55.329   12.905   57.653   15.081 -2.324379 19.84869 
1 1 1  -21   20   32 o   72.072   8.5950   38.493   8.0640   36.162   10.374   42.052   12.818   70.349   10.882   73.795   13.307 -3.446236 17.19007 
1 1 1  -21   20   33 o   56.105   10.072   24.322   7.5825   20.526   9.7776   30.049   12.010   50.935   13.816   61.275   14.660 -10.34068 20.14424 
1 1 1  -21   20   34 o   44.838   10.229   15.840   7.2279   18.926   9.5953   11.794   10.990   48.892   13.851   40.784   15.054 8.108620 20.45715 
1 1 1  -21   20   35 o   42.747   10.730   13.535   8.1984   6.5497   12.633   18.618   10.776   37.287   15.399   48.207   14.946 -10.91946 21.45930 
1 1 1  -21   20   36 o   40.263   10.525   10.852   8.2297   1.3334   12.993   17.230   10.635   33.999   14.863   46.528   14.905 -12.52887 21.04937 
1 1 1  -21   20   37 o   34.695   10.335   3.4525   8.0473   8.7202   13.296   0.4070   10.109   39.340   15.969   30.049   13.124 9.290556 20.67027 
1 1 1  -21   20   38 o   60.262   11.081   30.577   9.1931   25.811   14.140   34.066   12.099   55.110   17.126   65.415   14.067 -10.30487 22.16267 
1 1 1  -21   20   39 o   44.157   15.285   15.248   11.145   0.0000   0.0000   15.248   11.145  ?   ?    44.157   15.285      ?      ? 
1 1 1  -21   20   40 o   36.051   14.324   7.5316   10.459   0.0000   0.0000   7.5316   10.459  ?   ?    36.051   14.324      ?      ? 
1 1 1  -21   20   41 o   43.389   10.846   14.332   8.5242   5.7304   13.169   20.534   11.183   36.803   15.497   49.976   15.177 -13.17304 21.69129 
1 1 1  -21   20   42 o   80.126   9.8262   51.631   10.130   42.597   15.189   58.868   13.595   71.385   16.087   88.867   11.289 -17.48229 19.65237 
1 1 1  -21   20   43 o   60.275   11.300   30.799   9.3139   29.801   14.555   31.491   12.120   58.499   17.210   62.052   14.649 -3.553387 22.60039 
1 1 1  -21   20   44 o   88.094   9.3685   61.209   10.695   54.722   16.035   66.406   14.353   81.951   14.992   94.238   11.239 -12.28639 18.73698 
1 1 1  -21   20   45 o   41.859   16.443   12.461   13.639   12.461   13.639   0.0000   0.0000   41.859   16.443  ?   ?       ?      ? 
1 1 1  -21   20   46 o   35.214   15.276   3.5171   13.500   3.5171   13.500   0.0000   0.0000   35.214   15.276  ?   ?       ?      ? 
1 1 1  -21   20   47 o   59.808   11.050   32.271   9.4296   21.404   15.105   39.210   12.070   49.476   17.738   70.140   13.183 -20.66380 22.10020 
1 1 1  -21   20   48 o   28.748   9.3600  -4.0813   8.2217  -9.6894   14.179  -1.2405   10.091   29.080   13.731   28.416   12.723 0.6646557 18.71993 
1 1 1  -21   20   49 o   28.339   9.2631  -4.6952   8.2378 -10.7427   13.984  -1.4811   10.194   28.362   13.464   28.316   12.726 0.4601288E-01 18.52629 
1 1 1  -21   20   50 o   57.867   11.934   28.851   9.8394   38.928   15.826   22.503   12.562   65.263   17.525   50.470   16.203 14.79285 23.86739 
1 1 1  -21   20   51 o   27.724   9.1986  -7.1547   8.6921 -12.0674   13.989  -4.0651   11.094   27.673   13.229   27.774   12.785 -0.1001530 18.39714 
1 1 1  -21   20   52 o   59.439   10.551   32.757   10.159   11.040   15.602   48.742   13.386   40.412   16.935   78.466   12.589 -38.05386 21.10119 
1 1 1  -21   20   53 o   31.616   14.040   1.3285   12.024   0.0000   0.0000   1.3285   12.024  ?   ?    31.616   14.040      ?      ? 
1 1 1  -21   20   54 o   53.747   16.709   27.148   13.458   0.0000   0.0000   27.148   13.458  ?   ?    53.747   16.709      ?      ? 
1 1 1  -21   20   55 o   33.526   14.470   4.8984   11.992   0.0000   0.0000   4.8984   11.992  ?   ?    33.526   14.470      ?      ? 
1 1 1  -21   20   56 o   34.228   14.735   5.8642   12.371   0.0000   0.0000   5.8642   12.371  ?   ?    34.228   14.735      ?      ? 
1 1 1  -21   20   57 f   41.057   15.883   14.968   12.573   0.0000   0.0000   14.968   12.573  ?   ?    41.057   15.883      ?      ? 
1 1 1  -21   20   58 o   33.410   14.441   5.7753   11.979   0.0000   0.0000   5.7753   11.979  ?   ?    33.410   14.441      ?      ? 
1 1 1  -21   21    1 o   50.690   10.956   20.166   8.1642   16.024   10.551   26.347   12.889   45.089   14.875   56.292   16.090 -11.20383 21.91286 
1 1 1  -21   21    2 f   77.046   9.1172   45.135   9.2242   43.541   12.182   47.276   14.122   76.498   11.751   77.595   13.942 -1.096550 18.23431 
1 1 1  -21   21    3 o   55.878   10.206   22.966   8.4618   10.058   11.002   41.656   13.239   38.992   14.916   72.763   13.934 -33.77085 20.41196 
1 1 1  -21   21    4 o   51.628   10.521   22.132   8.2742   29.217   10.966   12.767   12.608   60.858   13.635   42.398   16.027 18.45987 21.04269 
1 1 1  -21   21    5 o   55.773   11.059   25.606   8.6758   26.218   11.597   24.830   13.074   56.897   14.874   54.648   16.368 2.249077 22.11724 
1 1 1  -21   21    6 o   63.472   14.560   32.268   12.257   32.268   12.257   0.0000   0.0000   63.472   14.560  ?   ?       ?      ? 
1 1 1  -21   21    7 f   62.892   14.559   31.683   12.163   31.683   12.163   0.0000   0.0000   62.892   14.559  ?   ?       ?      ? 
1 1 1  -21   21    8 o   34.144   10.066   3.8468   8.0307   8.6404   10.451  -3.0645   12.549   37.314   14.468   30.973   14.000 6.340431 20.13290 
1 1 1  -21   21    9 o   42.443   10.929   12.449   8.3469   7.1706   11.357   18.650   12.309   36.718   14.810   48.169   16.075 -11.45050 21.85752 
1 1 1  -21   21   10 o   65.714   10.492   34.810   9.1209   36.826   12.571   32.569   13.254   68.305   14.050   63.123   15.588 5.181656 20.98487 
1 1 1  -21   21   11 o   72.797   9.9401   41.738   9.5276   45.778   12.984   37.025   14.024   78.228   12.248   67.367   15.659 10.86102 19.88023 
1 1 1  -21   21   12 o   42.938   10.789   12.545   8.1319   6.3577   10.789   20.681   12.373   35.530   14.398   50.345   16.071 -14.81533 21.57791 
1 1 1  -21   21   13 o   51.853   10.740   21.990   8.5768   30.149   11.709   12.544   12.599   61.466   14.323   42.239   16.008 19.22652 21.48037 
1 1 1  -21   21   14 f   63.652   10.772   32.682   9.3538   23.271   12.816   43.410   13.683   53.059   16.274   74.245   14.116 -21.18658 21.54320 
1 1 1  -21   21   15 o   97.833   8.2883   71.042   10.985   69.728   15.314   72.434   15.766   96.948   11.657   98.717   11.786 -1.768631 16.57656 
1 1 1  -21   21   16 f   58.147   11.178   27.835   9.1188   23.366   12.762   32.497   13.034   53.148   16.229   63.147   15.376 -9.999069 22.35634 
1 1 1  -21   21   17 o   49.633   10.346   18.440   8.6223   4.1988   12.142   32.928   12.247   35.074   14.831   64.191   14.430 -29.11765 20.69209 
1 1 1  -21   21   18 o   69.291   14.814   38.529   13.488   0.0000   0.0000   38.529   13.488  ?   ?    69.291   14.814      ?      ? 
1 1 1  -21   21   19 o   95.058   11.686   67.167   15.054   0.0000   0.0000   67.167   15.054  ?   ?    95.058   11.686      ?      ? 
1 1 1  -21   21   20 o   53.023   11.046   23.221   8.7546   16.604   12.666   29.274   12.114   45.994   16.269   60.053   14.946 -14.05908 22.09156 
1 1 1  -21   21   21 o   58.744   10.751   28.147   8.7022   33.337   12.511   23.283   12.112   64.346   14.673   53.141   15.718 11.20513 21.50287 
1 1 1  -21   21   22 f   54.894   10.636   23.905   8.6006   35.621   12.714   14.018   11.678   66.678   14.485   43.111   15.579 23.56677 21.27245 
1 1 1  -21   21   23 o   47.329   11.042   17.672   8.2227   21.804   12.410   14.437   10.979   51.340   16.059   43.317   15.161 8.023323 22.08493 
1 1 1  -21   21   24 o   48.989   11.074   19.648   8.5247   14.525   12.510   24.087   11.647   43.818   16.080   54.160   15.232 -10.34213 22.14890 
1 1 1  -21   21   25 o   53.706   16.281   24.162   12.877   24.162   12.877   0.0000   0.0000   53.706   16.281  ?   ?       ?      ? 
1 1 1  -21   21   26 o   69.079   15.192   38.898   13.834   38.898   13.834   0.0000   0.0000   69.079   15.192  ?   ?       ?      ? 
1 1 1  -21   21   27 o   61.236   10.975   31.248   9.1157   28.946   13.710   33.073   12.204   58.416   16.559   64.057   14.409 -5.641094 21.95025 
1 1 1  -21   21   28 o   43.454   10.221   13.222   8.2843  -0.6243   12.267   24.829   11.232   31.815   14.152   55.093   14.751 -23.27753 20.44206 
1 1 1  -21   21   29 o   45.266   11.028   16.457   8.4528   11.001   13.129   20.319   11.047   40.777   16.097   49.754   15.079 -8.976692 22.05596 
1 1 1  -21   21   30 o   53.073   9.5350   23.425   8.4971   3.3395   13.180   37.713   11.116   35.153   15.171   70.992   11.554 -35.83863 19.07001 
1 1 1  -21   21   31 o   32.103   9.7554   2.4533   7.6213  -0.8110   12.232   4.5247   9.7438   31.579   14.083   32.627   13.503 -1.048193 19.51081 
1 1 1  -21   21   32 o   33.066   9.9511   2.5149   7.5917   7.8058   12.540  -0.5463   9.5383   37.701   15.430   28.432   12.571 9.269197 19.90225 
1 1 1  -21   21   33 o   45.733   10.896   17.162   8.3388   10.723   13.003   21.660   10.868   40.267   15.979   51.200   14.817 -10.93348 21.79185 
1 1 1  -21   21   34 o   36.125   10.212   6.6637   8.1195  -2.5256   12.713   12.994   10.552   31.033   14.054   41.217   14.820 -10.18399 20.42399 
1 1 1  -21   21   35 o   38.789   10.947   9.1598   8.5483   12.801   13.485   6.7134   11.053   42.066   16.400   35.511   14.504 6.555359 21.89347 
1 1 1  -21   21   36 o   40.704   15.386   12.240   11.618   0.0000   0.0000   12.240   11.618  ?   ?    40.704   15.386      ?      ? 
1 1 1  -21   21   37 o   34.593   10.420   3.3566   8.3088   9.7004   13.844  -0.2147   10.387   39.631   16.215   29.554   13.090 10.07722 20.83949 
1 1 1  -21   21   38 o   36.168   10.274   6.6235   8.3654  -3.9416   13.222   13.675   10.802   30.642   14.050   41.695   14.995 -11.05377 20.54848 
1 1 1  -21   21   39 o   43.287   11.379   14.485   8.6005   17.532   14.525   12.840   10.673   45.877   17.233   40.698   14.865 5.178951 22.75827 
1 1 1  -21   21   40 o   42.571   10.071   13.445   8.5543  -5.9602   13.931   25.191   10.838   30.309   14.083   54.833   14.401 -24.52398 20.14209 
1 1 1  -21   21   41 o   42.982   11.080   15.193   8.4512   11.686   13.714   17.340   10.731   40.584   16.308   45.380   15.003 -4.796143 22.15933 
1 1 1  -21   21   42 o   62.936   17.413   36.292   15.352   36.292   15.352   0.0000   0.0000   62.936   17.413  ?   ?       ?      ? 
1 1 1  -21   21   43 o   47.773   11.875   19.862   9.3215   23.416   15.131   17.687   11.834   50.239   17.780   45.308   15.747 4.930893 23.75077 
1 1 1  -21   21   44 o   36.648   10.707   8.2201   8.6231   4.0265   14.566   10.483   10.700   35.515   15.626   37.781   14.642 -2.266682 21.41383 
1 1 1  -21   21   45 o   31.279   9.8646   0.5410   8.5783  -6.5899   14.326   4.5273   10.711   29.952   14.036   32.606   13.865 -2.654362 19.72912 
1 1 1  -21   21   46 o   57.292   12.188   30.292   10.009   35.914   16.263   26.864   12.698   60.411   18.293   54.172   16.111 6.238705 24.37550 
1 1 1  -21   21   47 o   50.516   12.006   22.006   9.9648   36.803   16.004   12.637   12.735   61.136   18.063   39.897   15.820 21.23895 24.01153 
1 1 1  -21   21   48 o   30.077   9.8127  -2.6432   9.0395  -1.6890   14.708  -3.2223   11.459   32.014   14.731   28.139   12.968 3.874825 19.62537 
1 1 1  -21   21   49 o   38.622   10.698   10.949   9.2136  -3.4187   15.162   19.360   11.601   31.445   14.637   45.799   15.605 -14.35447 21.39537 
1 1 1  -21   21   50 o   68.632   15.455   42.852   14.028   0.0000   0.0000   42.852   14.028  ?   ?    68.632   15.455      ?      ? 
1 1 1  -21   21   51 o   51.729   16.169   26.053   12.583   0.0000   0.0000   26.053   12.583  ?   ?    51.729   16.169      ?      ? 
1 1 1  -21   21   52 o   33.360   14.367   6.1520   11.769   0.0000   0.0000   6.1520   11.769  ?   ?    33.360   14.367      ?      ? 
1 1 1  -21   21   53 o   27.925   12.830  -1.5073   11.100   0.0000   0.0000  -1.5073   11.100  ?   ?    27.925   12.830      ?      ? 
1 1 1  -21   21   54 o   39.011   15.438   14.102   12.106   0.0000   0.0000   14.102   12.106  ?   ?    39.011   15.438      ?      ? 
1 1 1  -21   21   55 o   29.165   13.272   0.8336   11.510   0.0000   0.0000   0.8336   11.510  ?   ?    29.165   13.272      ?      ? 
1 1 1  -21   22    5 o   34.079   9.6928   2.0986   7.6703  -8.5409   10.389   14.848   11.373   24.950   11.773   43.208   15.401 -18.25804 19.38553 
1 1 1  -21   22    6 o   41.299   10.008   10.628   7.8852   23.712   11.320  -1.7062   10.990   53.199   15.035   29.399   13.213 23.79975 20.01564 
1 1 1  -21   22    7 o   38.811   10.644   10.342   7.9984   10.727   11.013   9.9116   11.636   39.013   14.923   38.609   15.181 0.4038315 21.28788 
1 1 1  -21   22    8 o   37.615   9.7414   6.0722   7.7412  -7.2347   10.808   20.092   11.093   26.173   12.241   49.058   15.157 -22.88514 19.48270 
1 1 1  -21   22    9 o   38.229   10.564   9.5136   8.0471   6.0684   11.569   12.743   11.201   35.388   14.685   41.070   15.191 -5.682228 21.12842 
1 1 1  -21   22   10 o   50.668   10.938   20.780   8.6568   31.019   12.767   12.067   11.777   60.683   15.477   40.653   15.461 20.03040 21.87637 
1 1 1  -21   22   11 o   32.505   9.9503   2.0972   8.1336  -0.7788   11.663   4.8202   11.349   30.773   13.736   34.237   14.400 -3.463907 19.90064 
1 1 1  -21   22   12 o   29.105   9.1695  -3.6364   7.8028 -13.2235   11.300   5.1013   10.788   24.273   11.678   33.937   14.140 -9.663458 18.33906 
1 1 1  -21   22   13 f   32.650   9.9068   2.7611   7.8785   5.2072   11.444   0.5573   10.863   34.607   14.503   30.693   13.500 3.914375 19.81353 
1 1 1  -21   22   14 o   37.739   14.732   9.4405   10.893   0.0000   0.0000   9.4405   10.893  ?   ?    37.739   14.732      ?      ? 
1 1 1  -21   22   15 o   43.476   15.207   15.136   11.045   0.0000   0.0000   15.136   11.045  ?   ?    43.476   15.207      ?      ? 
1 1 1  -21   22   16 o   40.114   10.613   10.211   7.9853   18.952   12.412   4.0381   10.431   47.509   16.141   32.720   13.786 14.78867 21.22687 
1 1 1  -21   22   17 f   36.929   10.439   8.3283   7.8385   8.9134   12.009   7.8941   10.346   37.947   15.256   35.910   14.253 2.036186 20.87803 
1 1 1  -21   22   18 o   32.371   9.8017   2.2012   7.6302   7.2071   11.843  -1.3515   9.9769   36.428   14.962   28.315   12.667 8.112831 19.60331 
1 1 1  -21   22   19 o   38.758   10.319   9.1714   8.3286  -2.8368   12.698   18.238   11.033   30.702   13.959   46.815   15.200 -16.11381 20.63754 
1 1 1  -21   22   20 o   53.133   11.510   23.804   8.9923   29.290   14.037   19.985   11.711   57.656   16.884   48.609   15.648 9.046307 23.02011 
1 1 1  -21   22   21 o   44.055   16.591   15.436   13.479   15.436   13.479   0.0000   0.0000   44.055   16.591  ?   ?       ?      ? 
1 1 1  -21   22   22 o   24.604   11.914 -15.5038   12.226 -15.5038   12.226   0.0000   0.0000   24.604   11.914  ?   ?       ?      ? 
1 1 1  -21   22   23 o   26.765   8.8559  -6.8143   7.7304  -5.8446   12.596  -7.4002   9.7911   28.982   13.440   24.549   11.535 4.433601 17.71175 
1 1 1  -21   22   24 o   43.686   10.442   9.7825   8.2675   30.746   13.777  -2.0141   10.335   59.124   16.544   28.248   12.743 30.87552 20.88304 
1 1 1  -21   22   25 o   28.018   9.1031  -6.9499   7.5066   3.8760   12.874 -12.5263   9.2398   34.643   14.972   21.392   10.358 13.25046 18.20611 
1 1 1  -21   22   26 o   42.649   11.371   13.697   8.7429   18.475   14.272   10.827   11.061   46.532   17.160   38.766   14.925 7.766155 22.74254 
1 1 1  -21   22   27 o   49.179   11.515   19.468   8.8991   29.643   14.506   13.328   11.269   57.157   17.270   41.200   15.237 15.95721 23.03069 
1 1 1  -21   22   28 o   46.694   11.376   17.459   8.7287   26.029   13.907   11.889   11.212   53.672   17.029   39.716   15.090 13.95583 22.75261 
1 1 1  -21   22   29 o   34.263   10.140   5.3182   8.1417  -1.9016   13.410   9.5331   10.246   31.581   14.354   36.945   14.325 -5.364233 20.27910 
1 1 1  -21   22   30 o   30.154   9.4960  -5.0985   7.9998   9.2507   12.934 -13.9890   10.181   38.152   15.649   22.157   10.762 15.99499 18.99202 
1 1 1  -21   22   31 o   30.723   9.7220   0.0014   8.2007  -1.6528   13.118   1.0625   10.507   31.293   14.213   30.154   13.269 1.138823 19.44405 
1 1 1  -21   22   32 o   29.571   13.029   0.8586   10.159   0.0000   0.0000   0.8586   10.159  ?   ?    29.571   13.029      ?      ? 
1 1 1  -21   22   33 f   37.384   14.571   10.104   10.644   0.0000   0.0000   10.104   10.644  ?   ?    37.384   14.571      ?      ? 
1 1 1  -21   22   34 o   34.124   10.345   3.7384   8.2077   10.806   13.940  -0.0120   10.155   39.381   16.210   28.867   12.856 10.51456 20.68905 
1 1 1  -21   22   35 o   39.098   10.789   6.5598   8.4976   24.305   14.639  -2.4581   10.436   50.556   17.517   27.640   12.601 22.91646 21.57879 
1 1 1  -21   22   36 o   40.913   10.607   13.370   8.8054  -0.7690   14.571   21.505   11.052   32.641   14.884   49.184   15.117 -16.54351 21.21478 
1 1 1  -21   22   37 o   35.671   10.333   8.0262   8.2523  -0.1396   14.265   12.134   10.117   32.576   14.805   38.767   14.418 -6.191219 20.66544 
1 1 1  -21   22   38 o   32.576   14.826  -0.0584   14.367  -0.0584   14.367   0.0000   0.0000   32.576   14.826  ?   ?       ?      ? 
1 1 1  -21   22   39 o   27.350   13.111 -11.2540   13.951 -11.2540   13.951   0.0000   0.0000   27.350   13.111  ?   ?       ?      ? 
1 1 1  -21   22   40 o   38.727   11.178   11.496   9.0446   12.762   14.941   10.764   11.363   40.062   16.662   37.392   14.907 2.670334 22.35675 
1 1 1  -21   22   41 f   44.477   11.108   18.601   9.4535   5.3254   15.348   26.717   12.000   35.529   15.815   53.426   15.601 -17.89642 22.21521 
1 1 1  -21   22   42 o   33.475   10.500   4.3496   9.1564   3.0638   15.869   4.9914   11.211   34.491   15.652   32.459   14.000 2.032612 21.00007 
1 1 1  -21   22   43 f   36.167   10.976   5.5435   9.1599   19.189   16.212  -0.8548   11.102   43.790   17.683   28.543   13.006 15.24725 21.95153 
1 1 1  -21   22   44 o   33.005   10.412   4.2456   9.1798   2.0964   15.963   5.3075   11.221   33.656   15.434   32.354   13.981 1.301353 20.82471 
1 1 1  -21   22   45 o   30.049   9.7623  -0.0379   8.6566   0.0097   15.006  -0.0615   10.598   31.879   14.743   28.218   12.800 3.661224 19.52455 
1 1 1  -21   22   46 o   45.969   11.864   19.727   9.4614   33.922   16.024   12.131   11.723   54.586   18.341   37.352   15.053 17.23343 23.72760 
1 1 1  -21   22   47 o   39.181   15.322   14.603   11.799   0.0000   0.0000   14.603   11.799  ?   ?    39.181   15.322      ?      ? 
1 1 1  -21   23   13 o   34.369   10.111   2.0777   8.1226   16.727   13.196  -6.8588   10.307   43.649   16.420   25.089   11.804 18.55969 20.22254 
1 1 1  -21   23   14 o   42.507   10.945   15.688   8.4883   9.6774   13.649   19.478   10.839   38.120   15.896   46.893   15.050 -8.773369 21.89026 
1 1 1  -21   23   15 o   33.268   10.149   1.9365   8.0933   12.455   13.770  -3.6143   10.003   40.182   16.272   26.353   12.134 13.82898 20.29847 
1 1 1  -21   23   16 o   41.347   11.065   14.401   8.8286   8.0056   14.306   18.335   11.220   37.284   15.943   45.410   15.347 -8.126026 22.12928 
1 1 1  -21   23   17 o   42.222   16.736   15.039   14.247   15.039   14.247   0.0000   0.0000   42.222   16.736  ?   ?       ?      ? 
1 1 1  -21   23   18 o   39.230   16.193   11.235   13.958   11.235   13.958   0.0000   0.0000   39.230   16.193  ?   ?       ?      ? 
1 1 1  -21   23   19 o   61.480   11.439   33.924   9.5152   39.746   15.091   30.081   12.259   65.084   16.945   57.875   15.371 7.208988 22.87813 
1 1 1  -21   23   20 o   35.467   10.494   5.7755   8.3102   14.583   13.691   0.6374   10.457   41.594   16.431   29.341   13.058 12.25314 20.98786 
1 1 1  -21   23   21 o   31.750   9.9313   2.3045   8.1054   3.6767   13.613   1.5508   10.089   33.973   15.019   29.527   12.998 4.446451 19.86259 
1 1 1  -21   23   22 o   49.757   11.747   23.124   9.1434   26.372   14.564   21.011   11.747   51.723   17.485   47.791   15.692 3.931751 23.49406 
1 1 1  -21   23   23 o   31.931   9.8352   2.8668   8.2962  -5.5071   13.548   7.8908   10.494   29.198   13.672   34.663   14.142 -5.465839 19.67038 
1 1 1  -21   23   24 f   31.551   9.8785   2.4999   8.2198  -0.6006   13.822   4.1964   10.224   31.664   14.461   31.437   13.461 0.2273922 19.75696 
1 1 1  -21   23   25 o   35.090   10.295   7.7667   8.2650   0.6041   14.119   11.501   10.194   32.442   14.738   37.739   14.377 -5.297546 20.58903 
1 1 1  -21   23   26 o   32.383   10.010   3.9007   8.3237  -2.2137   14.520   6.8934   10.158   31.353   14.501   33.413   13.804 -2.059702 20.02100 
1 1 1  -21   23   27 o   26.737   8.7355  -5.7574   8.0187 -23.4814   14.029   2.8436   9.7725   23.631   11.704   29.843   12.971 -6.212196 17.47097 
1 1 1  -21   23   28 o   44.178   15.414   18.093   11.343   0.0000   0.0000   18.093   11.343  ?   ?    44.178   15.414      ?      ? 
1 1 1  -21   23   29 o   41.238   15.031   15.302   10.904   0.0000   0.0000   15.302   10.904  ?   ?    41.238   15.031      ?      ? 
1 1 1  -21   23   30 o   50.403   11.561   25.665   9.1926   21.550   15.426   27.931   11.447   45.815   17.629   54.991   14.962 -9.175747 23.12300 
1 1 1  -21   23   31 o   29.131   9.4981  -1.4533   8.2058  -0.4737   14.352  -1.9291   10.002   31.537   14.526   26.725   12.241 4.812031 18.99619 
1 1 1  -21   23   32 o   36.929   10.736   5.7095   8.6065   23.688   15.068  -2.9962   10.485   47.245   17.590   26.613   12.314 20.63175 21.47184 
1 1 1  -21   23   33 o   29.388   9.5382  -0.4014   8.3420  -2.6872   14.422   0.7479   10.226   30.368   14.183   28.408   12.758 1.959538 19.07636 
1 1 1  -21   23   34 o   32.292   10.184   3.2689   8.6435   8.7763   14.540   0.2591   10.749   36.063   15.746   28.522   12.919 7.540173 20.36727 
1 1 1  -21   23   35 o   31.682   14.641   0.3972   14.758   0.3972   14.758   0.0000   0.0000   31.682   14.641  ?   ?       ?      ? 
1 1 1  -21   23   36 o   38.763   10.934   13.999   9.0308   7.1717   14.905   17.958   11.352   34.910   15.559   42.616   15.366 -7.706421 21.86772 
1 1 1  -21   23   37 o   43.914   11.692   18.362   9.1062   29.946   15.731   12.525   11.167   50.569   18.105   37.258   14.801 13.31170 23.38490 
1 1 1  -20    0    1 o  207.927   6.0661  293.739   17.059   0.0000   0.0000  293.739   17.059  207.927   6.0661  207.927   6.0661 -0.000000 0.000000 
1 1 1  -20    0    2 o  433.102   8.1923  1272.74   48.043   0.0000   0.0000  1272.74   48.043  433.102   8.1923  433.102   8.1923 -0.000000 0.000000 
1 1 1  -20    0    3 o  285.595   6.6226  553.663   25.600   0.0000   0.0000  553.663   25.600  285.595   6.6226  285.595   6.6226 -0.000000 0.000000 
1 1 1  -20    0    4 o  320.294   6.9854  696.258   30.287   0.0000   0.0000  696.258   30.287  320.294   6.9854  320.294   6.9854 -0.000000 0.000000 
1 1 1  -20    0    5 o  585.822   10.201  2328.58   80.923   0.0000   0.0000  2328.58   80.923  585.822   10.201  585.822   10.201 -0.000000 0.000000 
1 1 1  -20    0    6 o  1325.79   20.913 11962.50  375.074 11593.48  519.215 12365.24  542.414  1304.44   29.406  1347.14   29.745 -0.000000 0.000000 
1 1 1  -20    0    7 o  1216.29   19.260 10072.58  317.078  9996.72  446.037 10150.08  450.833  1211.66   27.196  1220.92   27.280 -0.000000 0.000000 
1 1 1  -20    0    8 o  172.502   5.9440  203.153   13.817  206.287   19.483  199.982   19.600  173.864   8.3123  171.140   8.4989 -0.000000 0.000000 
1 1 1  -20    0    9 o  746.066   12.384  3777.95  124.962  3644.73  172.834  3923.88  180.885  732.291   17.439  759.842   17.588 -0.000000 0.000000 
1 1 1  -20    0   10 o  974.389   15.679  6456.11  206.757  6361.37  289.585  6554.62  295.297  967.096   22.123  981.682   22.223 -0.000000 0.000000 
1 1 1  -20    0   11 o  757.976   12.556  3904.39  128.803  3948.83  183.445  3861.18  180.891  762.233   17.782  753.718   17.732 -0.000000 0.000000 
1 1 1  -20    0   12 o  162.178   6.0906  179.779   13.298  182.570   18.834  177.005   18.779  163.453   8.5564  160.903   8.6701 -0.000000 0.000000 
1 1 1  -20    0   13 o  1215.19   19.261 10051.58  316.761  9875.25  442.719 10236.53  453.407  1204.27   27.159  1226.10   27.319 -0.000000 0.000000 
1 1 1  -20    0   14 o  1283.49   28.681 11221.56  498.280   0.0000   0.0000 11221.56  498.280  1283.49   28.681  1283.49   28.681 -0.000000 0.000000 
1 1 1  -20    0   15 f  600.390   14.698  2449.29  119.424   0.0000   0.0000  2449.29  119.424  600.390   14.698  600.390   14.698 -0.000000 0.000000 
1 1 1  -20    0   16 o  319.538   9.9147  694.146   42.839   0.0000   0.0000  694.146   42.839  319.538   9.9147  319.538   9.9147 -0.000000 0.000000 
1 1 1  -20    0   17 o  285.905   6.7383  555.635   26.034  569.663   37.351  542.381   36.306  289.422   9.5468  282.387   9.5119 -0.000000 0.000000 
1 1 1  -20    0   18 o  438.584   8.3432  1306.99   49.504  1314.22   70.374  1299.91   69.652  439.784   11.828  437.384   11.771 -0.000000 0.000000 
1 1 1  -20    0   19 o  205.473   6.2749  287.818   17.394  285.291   24.800  290.264   24.402  204.565   8.9855  206.381   8.7612 -0.000000 0.000000 
1 1 1  -20    0   20 o  525.036   9.4304  1873.08   66.999  1874.32   94.948  1871.85   94.554  525.207   13.360  524.866   13.313 -0.000000 0.000000 
1 1 1  -20    0   21 o  402.431   7.9476  1099.10   43.234  1046.44   59.955  1156.14   62.402  392.374   11.297  412.488   11.182 -0.000000 0.000000 
1 1 1  -20    0   22 o  623.448   10.734  2639.19   90.526  2719.47  130.461  2564.64  125.718  632.593   15.239  614.303   15.123 -0.000000 0.000000 
1 1 1  -20    0   23 o  667.144   11.354  3021.76  102.455  2921.48  142.010  3130.61  147.959  655.601   16.006  678.688   16.108 -0.000000 0.000000 
1 1 1  -20    0   24 o   94.863   10.970   63.421   13.611   63.421   13.611   0.0000   0.0000   94.863   10.970   94.863   10.970 -0.000000 0.000000 
1 1 1  -20    0   25 o  203.085   9.1025  281.264   24.936  281.264   24.936   0.0000   0.0000  203.085   9.1025  203.085   9.1025 -0.000000 0.000000 
1 1 1  -20    0   26 o  205.087   6.3620  286.655   17.599  291.515   25.238  282.055   24.555  206.781   9.0460  203.393   8.9481 -0.000000 0.000000 
1 1 1  -20    0   27 o  856.731   14.033  4992.82  162.715  4957.24  229.177  5029.00  231.062  853.649   19.835  859.813   19.855 -0.000000 0.000000 
1 1 1  -20    0   28 o  569.683   10.066  2205.50   77.590  2172.04  108.947  2239.93  110.528  565.291   14.242  574.075   14.227 -0.000000 0.000000 
1 1 1  -20    0   29 o  1332.33   21.089 12114.02  380.321 12202.02  540.738 12027.86  535.017  1337.11   29.876  1327.55   29.773 -0.000000 0.000000 
1 1 1  -20    0   30 o  724.648   17.210  3571.08  168.788   0.0000   0.0000  3571.08  168.788  724.648   17.210  724.648   17.210 -0.000000 0.000000 
1 1 1  -20    0   32 o  467.437   12.537  1485.29   79.283  1485.29   79.283   0.0000   0.0000  467.437   12.537  467.437   12.537 -0.000000 0.000000 
1 1 1  -20    0   33 o  806.630   13.354  4425.31  145.752  4513.48  209.108  4342.00  203.264  814.438   18.970  798.821   18.801 -0.000000 0.000000 
1 1 1  -20    0   34 o  870.796   14.280  5152.49  168.123  5376.14  244.747  4952.67  231.342  888.651   20.348  852.940   20.040 -0.000000 0.000000 
1 1 1  -20    0   35 o  331.865   7.3773  749.297   33.093  738.210   47.142  760.069   46.467  329.419   10.585  334.312   10.279 -0.000000 0.000000 
1 1 1  -20    0   36 o  156.814   6.7892  168.661   14.266  167.936   20.913  169.292   19.509  156.424   9.9582  157.204   9.2308 -0.000000 0.000000 
1 1 1  -20    0   37 o  202.850   9.1617  280.720   25.068   0.0000   0.0000  280.720   25.068  202.850   9.1617  202.850   9.1617 -0.000000 0.000000 
1 1 1  -20    0   38 o  320.420   10.194  698.454   44.163   0.0000   0.0000  698.454   44.163  320.420   10.194  320.420   10.194 -0.000000 0.000000 
1 1 1  -20    0   39 o  240.018   6.7935  392.704   22.001  388.779   31.613  396.391   30.637  238.820   9.8058  241.215   9.4050 -0.000000 0.000000 
1 1 1  -20    0   40 o  610.160   10.684  2533.50   88.214  2528.55  125.245  2538.38  124.268  609.554   15.184  610.765   15.035 -0.000000 0.000000 
1 1 1  -20    0   41 o  222.782   6.7239  338.785   20.194  329.613   28.966  347.458   28.167  219.790   9.7692  225.774   9.2415 -0.000000 0.000000 
1 1 1  -20    0   42 o  277.633   6.9757  524.604   26.151  531.642   37.809  518.149   36.208  279.402   10.015  275.863   9.7128 -0.000000 0.000000 
1 1 1  -20    0   43 o  369.971   7.7880  929.633   38.925  969.195   56.697  894.361   53.535  377.408   11.108  362.533   10.919 -0.000000 0.000000 
1 1 1  -20    0   44 f  145.799   10.240  146.363   20.002  146.363   20.002   0.0000   0.0000  145.799   10.240  145.799   10.240 -0.000000 0.000000 
1 1 1  -20    0   45 o  135.204   10.448  126.264   18.880  126.264   18.880   0.0000   0.0000  135.204   10.448  135.204   10.448 -0.000000 0.000000 
1 1 1  -20    0   46 o  546.595   9.8744  2034.26   73.019  2054.20  104.465  2015.21  102.104  549.200   14.057  543.990   13.871 -0.000000 0.000000 
1 1 1  -20    0   47 o  211.301   6.7789  304.454   19.291  311.898   28.190  297.899   26.456  213.709   9.7807  208.894   9.3889 -0.000000 0.000000 
1 1 1  -20    0   48 o  433.729   8.5248  1280.03   49.992  1308.73   72.119  1253.48   69.360  438.397   12.161  429.061   11.950 -0.000000 0.000000 
1 1 1  -20    0   49 o  471.543   8.9692  1514.11   57.204  1530.38   82.039  1498.72   79.804  473.992   12.793  469.095   12.574 -0.000000 0.000000 
1 1 1  -20    0   50 o  871.719   14.412  5199.19  170.007  5269.97  243.154  5131.50  237.788  877.492   20.473  865.946   20.289 -0.000000 0.000000 
1 1 1  -20    0   51 o  404.752   8.2467  1115.96   45.135  1117.63   64.641  1114.36   63.049  405.024   11.800  404.480   11.524 -0.000000 0.000000 
1 1 1  -20    0   52 o  174.467   6.9586  209.645   16.233  197.129   23.815  220.508   22.186  169.401   10.466  179.533   9.1736 -0.000000 0.000000 
1 1 1  -20    0   53 o   90.575   9.2937   59.606   10.498   56.293   15.878   62.179   13.992   87.543   14.606   93.608   11.495 -0.000000 0.000000 
1 1 1  -20    0   54 o  361.632   7.8097  890.623   38.159  906.140   55.292  876.510   52.730  364.614   11.215  358.650   10.872 -0.000000 0.000000 
1 1 1  -20    0   55 o  641.519   15.748  2811.58  136.719   0.0000   0.0000  2811.58  136.719  641.519   15.748  641.519   15.748 -0.000000 0.000000 
1 1 1  -20    0   56 o  567.846   14.371  2201.35  110.427   0.0000   0.0000  2201.35  110.427  567.846   14.371  567.846   14.371 -0.000000 0.000000 
1 1 1  -20    0   57 o  248.454   6.9901  420.057   23.389  439.306   34.613  403.883   31.728  253.657   10.106  243.250   9.6598 -0.000000 0.000000 
1 1 1  -20    0   58 o  102.926   8.4990   75.267   11.257   72.934   17.181   77.022   14.901  101.028   13.168  104.824   10.749 -0.000000 0.000000 
1 1 1  -20    0   59 o  125.549   7.8323  111.567   12.786   92.755   18.688  128.124   17.531  114.784   12.378  136.314   9.5997 -0.000000 0.000000 
1 1 1  -20    0   60 o  379.582   8.0363  982.194   41.214  1001.14   59.830  965.089   56.855  383.029   11.551  376.137   11.177 -0.000000 0.000000 
1 1 1  -20    0   61 o  150.703   11.054  156.987   22.296  156.987   22.296   0.0000   0.0000  150.703   11.054  150.703   11.054 -0.000000 0.000000 
1 1 1  -20    0   62 o  179.665   7.2866  221.122   17.581  232.252   25.731  211.375   24.079  183.913   10.400  175.416   10.208 -0.000000 0.000000 
1 1 1  -20    0   63 o  279.806   7.2441  533.973   27.332  545.628   40.087  523.850   37.362  282.611   10.500  277.001   9.9827 -0.000000 0.000000 
1 1 1  -20    0   64 o  166.916   7.2361  190.840   16.104  198.076   24.502  185.337   21.367  169.588   10.761  164.245   9.6771 -0.000000 0.000000 
1 1 1  -20    0   65 o  171.953   7.3684  205.022   16.853  188.889   24.987  218.486   22.827  165.410   11.267  178.495   9.4986 -0.000000 0.000000 
1 1 1  -20    0   66 o  192.424   7.1792  255.714   18.470  230.968   26.753  278.250   25.530  183.223   10.862  201.624   9.3903 -0.000000 0.000000 
1 1 1  -20    0   67 o  296.997   7.4098  602.715   29.707  603.845   43.016  601.685   41.075  297.208   10.712  296.787   10.241 -0.000000 0.000000 
1 1 1  -20    0   68 o  142.134   7.6291  140.388   14.410  135.457   21.333  144.526   19.541  139.594   11.455  144.675   10.080 -0.000000 0.000000 
1 1 1  -20    0   69 o  390.322   8.2455  1041.72   43.494  1045.79   62.770  1037.96   60.323  390.992   11.872  389.652   11.446 -0.000000 0.000000 
1 1 1  -20    0   70 o  205.403   7.1592  288.533   19.737  299.268   29.473  279.805   26.575  208.790   10.477  202.016   9.7595 -0.000000 0.000000 
1 1 1  -20    0   71 o  244.590   9.8564  409.507   32.549   0.0000   0.0000  409.507   32.549  244.590   9.8564  244.590   9.8564 -0.000000 0.000000 
1 1 1  -20    0   72 o  159.875   7.6556  179.794   16.057  144.330   23.168  212.576   22.274  143.839   12.082  175.912   9.4053 -0.000000 0.000000 
1 1 1  -20    0   73 o   48.670   14.816   22.624   9.8751   27.579   15.803   19.450   12.649   53.245   22.039   44.094   19.807 -0.000000 0.000000 
1 1 1  -20    0   74 o  398.250   8.3867  1088.77   45.142  1079.00   64.827  1097.97   62.899  396.410   12.093  400.090   11.623 -0.000000 0.000000 
1 1 1  -20    0   75 o  298.145   7.5069  609.073   30.181  623.840   44.324  596.308   41.212  301.426   10.883  294.864   10.343 -0.000000 0.000000 
1 1 1  -20    0   76 o  126.348   12.120  112.470   20.313  112.470   20.313   0.0000   0.0000  126.348   12.120  126.348   12.120 -0.000000 0.000000 
1 1 1  -20    0   77 o  158.074   7.6360  174.541   16.039  164.486   23.831  182.868   21.686  153.531   11.607  162.616   9.9258 -0.000000 0.000000 
1 1 1  -20    0   78 o  120.317   8.3975  103.240   13.162   95.591   19.755  109.345   17.649  115.654   13.031  124.980   10.596 -0.000000 0.000000 
1 1 1  -20    0   79 o   68.791   12.776   39.713   10.203   35.149   15.665   43.076   13.446   62.639   20.750   74.944   14.909 -0.000000 0.000000 
1 1 1  -20    0   80 o  121.714   7.9396  104.422   12.784  105.743   19.007  103.330   17.275  122.214   11.724  121.214   10.709 -0.000000 0.000000 
1 1 1  -20    0   81 o   25.486   11.508   0.8603   8.7057   5.4229   13.624  -2.2884   11.318   29.059   17.863   21.912   14.513 -0.000000 0.000000 
1 1 1  -20    0   82 o   88.585   10.105   59.423   10.848   53.365   16.362   64.174   14.491   82.988   16.359   94.182   11.866 -0.000000 0.000000 
1 1 1  -20    0   83 o   24.643   11.073   1.4877   8.2735  -3.4466   12.652   5.1738   10.936   22.548   15.065   26.739   16.232 -0.000000 0.000000 
1 1 1  -20    0   84 f   22.167   14.418  -0.1388   10.426   0.0000   0.0000  -0.1388   10.426   22.167   14.418   22.167   14.418 -0.000000 0.000000 
1 1 1  -20    0   85 o   62.241   17.828   33.321   13.036   0.0000   0.0000   33.321   13.036   62.241   17.828   62.241   17.828 -0.000000 0.000000 
1 1 1  -20    0   86 o  103.639   11.516   77.629   15.663   0.0000   0.0000   77.629   15.663  103.639   11.516  103.639   11.516 -0.000000 0.000000 
1 1 1  -20    0   87 o   22.412   14.608  -0.0330   10.782   0.0000   0.0000  -0.0330   10.782   22.412   14.608   22.412   14.608 -0.000000 0.000000 
1 1 1  -20    0   88 o  176.453   9.8779  218.789   23.451   0.0000   0.0000  218.789   23.451  176.453   9.8779  176.453   9.8779 -0.000000 0.000000 
1 1 1  -20    1    1 o  431.280   5.7635  1260.99   33.681  1271.14   48.020  1251.17   47.254  432.986   8.1840  429.574   8.1174 3.411743 11.52694 
1 1 1  -20    1    2 o  587.792   7.1900  2343.40   57.271  2334.94   81.010  2351.85   80.977  586.731   10.189  588.854   10.148 -2.123291 14.38008 
1 1 1  -20    1    3 o  1153.89   12.936  9050.17  202.272  8961.44  284.334  9141.08  287.809  1148.17   18.274  1159.61   18.315 -11.44263 25.87260 
1 1 1  -20    1    4 o  1036.29   13.507  7244.47  163.263  7189.59  187.645  7415.45  331.201  1029.19   13.454  1043.39   23.424 -14.19568 27.01304 
1 1 1  -20    1    5 o  900.283   11.890  5519.54  125.924  5532.79  145.691  5480.40  250.371  903.029   11.906  897.537   20.585 5.491943 23.77983 
1 1 1  -20    1    6 o  841.895   11.158  4690.13  108.155  4583.80  123.108  5049.80  226.421  822.026   11.051  861.765   19.389 -39.73871 22.31698 
1 1 1  -20    1    7 o  408.977   5.5734  1133.98   30.889  1133.55   43.693  1134.41   43.674  408.900   7.8851  409.054   7.8787 -0.1542664 11.14672 
1 1 1  -20    1    8 o  1062.27   11.975  7665.25  172.368  7579.99  241.962  7753.11  245.611  1056.27   16.904  1068.26   16.966 -11.98352 23.94995 
1 1 1  -20    1    9 o  483.215   6.2330  1583.10   40.813  1567.00   57.380  1599.58   58.063  480.730   8.8079  485.700   8.8216 -4.970551 12.46600 
1 1 1  -20    1   10 o  1360.15   18.549 12532.25  320.399 12378.92  389.101 12855.16  564.668  1348.80   21.288  1371.50   30.382 -22.70239 37.09764 
1 1 1  -20    1   11 o  477.163   7.5448  1536.38   45.922  1520.98   56.018  1567.94   80.186  473.620   8.7280  480.707   12.309 -7.086243 15.08961 
1 1 1  -20    1   12 o  1070.68   14.799  7828.33  203.098  7890.09  250.123  7708.80  347.969  1077.62   17.128  1063.73   24.139 13.89172 29.59850 
1 1 1  -20    1   13 o  415.476   5.6591  1170.32   31.862  1169.75   45.089  1170.90   45.032  415.374   8.0103  415.578   7.9962 -0.2044373 11.31828 
1 1 1  -20    1   14 o  839.330   9.6887  4780.32  110.181  4862.92  157.594  4701.34  154.104  846.416   13.740  832.244   13.664 14.17206 19.37737 
1 1 1  -20    1   15 f  904.213   10.354  5550.40  126.856  5486.12  178.122  5616.55  180.711  898.904   14.622  909.521   14.662 -10.61737 20.70714 
1 1 1  -20    1   16 f  1055.93   11.920  7574.58  170.549  7494.35  239.517  7657.10  242.904  1050.26   16.829  1061.60   16.885 -11.33313 23.83912 
1 1 1  -20    1   17 o  1164.10   16.056  9284.26  240.009  9049.81  408.520  9407.84  296.594  1151.85   26.172  1176.35   18.606 -24.49829 32.11129 
1 1 1  -20    1   18 o  587.585   8.8853  2368.42   67.134  2260.92  113.353  2426.51   83.319  577.052   14.496  598.119   10.280 -21.06744 17.77057 
1 1 1  -20    1   19 o  443.569   5.9377  1333.09   35.678  1372.90   51.310  1295.83   49.643  449.975   8.4146  437.164   8.3798 12.81094 11.87542 
1 1 1  -20    1   20 o  512.953   6.5485  1784.38   45.520  1777.70   64.327  1791.08   64.422  511.991   9.2715  513.915   9.2504 -1.924042 13.09699 
1 1 1  -20    1   21 o  943.609   13.203  6037.52  158.771  6106.52  277.043  6003.77  193.744  947.036   21.587  940.183   15.207 6.853455 26.40555 
1 1 1  -20    1   22 o  685.938   10.019  3180.38   87.491  3237.02  153.244  3152.99  106.566  690.202   16.384  681.674   11.536 8.527588 20.03803 
1 1 1  -20    1   23 o  654.032   9.6644  2920.92   81.048  2852.24  138.483  2956.71   99.955  647.929   15.772  660.134   11.174 -12.20435 19.32878 
1 1 1  -20    1   24 o  665.959   7.9923  3008.63   72.119  3054.46  102.975  2964.52  101.034  670.933   11.326  660.985   11.280 9.947327 15.98453 
1 1 1  -20    1   25 o  647.913   9.6197  2761.29   77.708  2632.67   92.187  3077.01  144.438  622.908   10.921  672.917   15.839 -50.00940 19.23938 
1 1 1  -20    1   26 o  312.190   9.9544  661.153   42.113  661.153   42.113   0.0000   0.0000  312.190   9.9544  ?   ?       ?      ? 
1 1 1  -20    1   27 o  386.545   6.7342  1004.68   33.108  1039.03   58.324  988.346   40.215  391.306   10.999  381.784   7.7731 9.522064 13.46837 
1 1 1  -20    1   28 o  335.248   5.1378  761.924   23.339  747.296   32.802  776.923   33.215  331.989   7.2911  338.508   7.2408 -6.518402 10.27569 
1 1 1  -20    1   29 o  195.397   4.5275  258.837   11.988  256.730   16.948  260.947   16.959  194.600   6.4269  196.193   6.3788 -1.592712 9.055080 
1 1 1  -20    1   30 o  578.431   7.1838  2270.14   56.309  2259.56   79.418  2280.84   79.851  577.075   10.156  579.786   10.163 -2.711121 14.36751 
1 1 1  -20    1   31 o  663.952   8.0054  2991.38   72.017  2940.81  100.791  3044.13  102.937  658.223   11.300  669.682   11.343 -11.45923 16.01073 
1 1 1  -20    1   32 o  466.834   6.2012  1478.18   39.229  1491.00   55.736  1465.59   55.223  468.840   8.7726  464.828   8.7669 4.011902 12.40233 
1 1 1  -20    1   33 o  510.848   6.5873  1770.28   45.599  1792.25   64.921  1748.88   64.060  513.976   9.3209  507.719   9.3107 6.256897 13.17451 
1 1 1  -20    1   34 o  288.229   4.9185  563.271   19.209  552.436   27.037  574.316   27.297  285.430   6.9900  291.029   6.9215 -5.599640 9.837006 
1 1 1  -20    1   35 o  604.705   9.1159  2467.29   70.112  2533.86  123.285  2435.47   85.238  610.416   14.904  598.994   10.501 11.42145 18.23182 
1 1 1  -20    1   36 o  443.073   12.016  1333.49   72.150  1333.49   72.150   0.0000   0.0000  443.073   12.016  ?   ?       ?      ? 
1 1 1  -20    1   37 o  228.528   6.7144  354.152   20.793  354.152   20.793   0.0000   0.0000  228.528   6.7144  ?   ?       ?      ? 
1 1 1  -20    1   38 o  287.245   5.9806  549.689   21.927  589.746   38.678  530.719   26.617  294.754   9.6834  279.735   7.0215 15.01837 11.96114 
1 1 1  -20    1   39 o  303.629   6.1446  628.937   23.931  615.306   40.883  636.041   29.516  301.034   10.022  306.223   7.1128 -5.188873 12.28929 
1 1 1  -20    1   40 o  400.332   5.7069  1087.47   30.960  1082.44   43.737  1092.52   43.830  399.403   8.0809  401.260   8.0606 -1.857056 11.41372 
1 1 1  -20    1   41 o  653.314   7.9455  2900.37   70.340  2871.31   98.915  2930.10  100.047  650.005   11.230  656.623   11.244 -6.617676 15.89095 
1 1 1  -20    1   42 o  487.964   6.4382  1616.45   42.569  1591.79   59.749  1641.87   60.665  484.184   9.1063  491.743   9.1037 -7.559082 12.87638 
1 1 1  -20    1   43 o  434.377   7.3800  1285.21   40.903  1273.31   70.841  1291.16   50.098  432.647   12.083  436.106   8.4771 -3.458618 14.75999 
1 1 1  -20    1   44 o  110.169   7.8406   82.394   11.695   77.873   16.196   87.320   16.905  107.013   11.168  113.324   11.008 -6.311195 15.68116 
1 1 1  -20    1   45 o  636.914   9.6044  2767.55   78.086  2774.24   95.639  2754.18  135.237  638.677   11.050  635.151   15.712 3.525757 19.20881 
1 1 1  -20    1   46 o  236.064   4.7689  378.123   15.253  369.055   21.480  387.347   21.665  233.207   6.7968  238.922   6.6914 -5.715103 9.537892 
1 1 1  -20    1   47 o  261.988   4.8690  465.824   17.286  459.381   24.390  472.327   24.501  260.165   6.9181  263.810   6.8534 -3.644562 9.738048 
1 1 1  -20    1   48 o  158.878   4.7773  171.308   10.285  172.762   14.631  169.887   14.461  159.544   6.7674  158.213   6.7447 1.331833 9.554520 
1 1 1  -20    1   49 o  138.628   4.9498  130.463   9.2976  130.368   13.251  130.555   13.049  138.576   7.0564  138.680   6.9434 -0.1039276 9.899666 
1 1 1  -20    1   50 o  482.309   6.4166  1581.31   41.936  1561.06   58.964  1602.04   59.655  479.183   9.0803  485.434   9.0685 -6.251282 12.83319 
1 1 1  -20    1   51 o  336.160   5.3085  767.532   24.182  765.094   34.152  769.983   34.246  335.625   7.5090  336.696   7.5057 -1.070923 10.61696 
1 1 1  -20    1   52 o  649.551   7.9627  2874.39   70.080  2925.94  100.158  2824.94   98.089  655.249   11.280  643.852   11.242 11.39667 15.92544 
1 1 1  -20    1   53 o  271.001   4.9824  498.804   18.297  494.648   25.878  502.958   25.874  269.869   7.0762  272.132   7.0161 -2.263000 9.964818 
1 1 1  -20    1   54 o  528.396   6.8509  1900.69   49.056  1901.12   69.422  1900.26   69.329  528.454   9.6941  528.337   9.6832 0.1172485 13.70182 
1 1 1  -20    1   55 o  240.930   6.6958  394.764   21.824  363.487   30.369  428.165   31.383  231.044   9.6996  250.816   9.2334 -19.77249 13.39167 
1 1 1  -20    1   56 o  209.040   5.7786  296.840   15.592  298.271   26.463  296.080   19.297  209.308   9.3299  208.771   6.8207 0.5371857 11.55720 
1 1 1  -20    1   57 o  120.607   5.3238   98.854   8.6969  103.222   12.409   94.637   12.192  123.229   7.4308  117.984   7.6258 5.245270 10.64753 
1 1 1  -20    1   58 o  410.573   5.8823  1146.94   32.727  1137.57   46.139  1156.43   46.429  408.884   8.3269  412.263   8.3106 -3.378845 11.76453 
1 1 1  -20    1   59 o  221.217   4.8666  332.525   14.584  321.059   20.488  344.305   20.766  217.345   6.9560  225.090   6.8080 -7.745316 9.733128 
1 1 1  -20    1   60 o  570.754   7.2678  2222.74   56.213  2218.98   79.486  2226.51   79.508  570.268   10.286  571.240   10.271 -0.9716187 14.53566 
1 1 1  -20    1   61 o  281.733   7.4375  541.831   28.387  560.127   40.432  524.045   39.866  286.443   10.416  277.023   10.619 9.420319 14.87499 
1 1 1  -20    1   62 o  270.052   6.2750  488.048   21.388  473.186   25.721  521.352   38.504  263.771   7.1959  276.333   10.282 -12.56210 12.55004 
1 1 1  -20    1   63 o  302.346   5.2185  621.765   21.377  605.172   29.987  638.912   30.483  298.238   7.4197  306.453   7.3403 -8.214447 10.43708 
1 1 1  -20    1   64 o  312.086   5.2858  662.821   22.355  665.141   31.682  660.521   31.546  312.629   7.4783  311.543   7.4722 1.086487 10.57162 
1 1 1  -20    1   65 o  320.177   5.3740  697.865   23.316  692.339   32.927  703.421   33.022  318.902   7.6193  321.452   7.5805 -2.549866 10.74791 
1 1 1  -20    1   66 o  213.736   5.0025  310.851   14.485  320.517   20.560  301.324   20.411  217.046   6.9902  210.426   7.1580 6.620163 10.00494 
1 1 1  -20    1   67 o  185.777   4.9877  234.855   12.553  242.958   17.854  226.933   17.652  188.955   6.9726  182.598   7.1339 6.356262 9.975452 
1 1 1  -20    1   68 o  367.491   5.6290  920.382   28.031  927.369   39.849  913.539   39.439  368.869   7.9719  366.114   7.9493 2.754730 11.25798 
1 1 1  -20    1   69 o  154.464   5.1405  162.320   10.746  174.460   15.458  150.964   14.949  160.063   7.1263  148.865   7.4105 11.19818 10.28104 
1 1 1  -20    1   70 o  102.994   6.0731   72.382   8.4615   78.429   12.141   66.669   11.799  107.195   8.3576   98.793   8.8136 8.402748 12.14612 
1 1 1  -20    1   71 o  218.012   6.8170  325.147   20.131  336.985   28.949  314.060   28.014  221.855   9.6290  214.170   9.6525 7.684708 13.63407 
1 1 1  -20    1   72 o  139.371   5.3988  132.561   10.195  135.645   14.436  129.493   14.399  140.998   7.5554  137.744   7.7138 3.254364 10.79751 
1 1 1  -20    1   73 o  178.347   5.0852  216.450   12.249  242.701   17.782  192.745   16.897  188.651   6.9556  168.044   7.4200 20.60727 10.17038 
1 1 1  -20    1   74 o   98.995   6.1765   67.151   8.2823   69.710   11.757   64.631   11.669  100.884   8.6001   97.106   8.8676 3.778152 12.35298 
1 1 1  -20    1   75 f  242.209   5.0669  400.713   16.627  387.890   23.337  413.933   23.694  238.258   7.2278  246.161   7.1031 -7.903854 10.13384 
1 1 1  -20    1   76 o  226.740   7.4768  354.525   22.922  389.419   33.199  322.738   31.686  237.486   10.316  215.995   10.825 21.49088 14.95351 
1 1 1  -20    1   77 o  111.760   5.8872   85.706   8.9021   92.626   12.795   79.212   12.394  116.164   8.1279  107.356   8.5192 8.808182 11.77450 
1 1 1  -20    1   78 o   82.545   6.8436   47.114   7.6545   47.129   10.749   47.099   10.902   82.570   9.6068   82.520   9.7494 0.5046082E-01 13.68727 
1 1 1  -20    1   79 o  105.289   5.8554   76.368   8.3459   80.929   11.881   71.925   11.727  108.433   8.0852  102.145   8.4719 6.287903 11.71084 
1 1 1  -20    1   80 o  115.088   5.6364   91.234   8.7858   95.500   12.562   87.148   12.292  117.744   7.8731  112.432   8.0679 5.312294 11.27285 
1 1 1  -20    1   81 o  107.226   5.7521   79.459   8.3528   82.900   11.841   76.050   11.785  109.578   7.9738  104.873   8.2925 4.704414 11.50420 
1 1 1  -20    1   82 o  123.972   5.4546  106.185   9.1628  104.309   12.938  108.073   12.979  122.856   7.7710  125.088   7.6565 -2.232719 10.90919 
1 1 1  -20    1   83 o   73.818   7.0902   38.271   7.0918   38.714   10.122   37.844   9.9393   74.228   10.062   73.408   9.9915 0.8200836 14.18036 
1 1 1  -20    1   84 o   89.700   8.5071   57.668   10.237   68.484   14.807   47.762   14.170   98.111   11.137   81.290   12.863 16.82155 17.01416 
1 1 1  -20    1   85 o  180.255   6.8642  229.298   16.755  217.578   23.473  241.471   23.922  175.436   9.8736  185.074   9.5383 -9.638779 13.72836 
1 1 1  -20    1   86 o  102.438   7.9175   75.475   10.968   69.606   15.396   81.523   15.629   98.193   11.570  106.683   10.811 -8.490471 15.83494 
1 1 1  -20    1   87 o  112.694   7.6182   91.462   11.618   86.175   16.427   96.753   16.433  109.232   11.098  116.156   10.440 -6.924751 15.23640 
1 1 1  -20    1   88 o   81.665   8.7343   49.150   9.6545   46.045   13.475   52.425   13.839   78.878   12.607   84.451   12.092 -5.573013 17.46868 
1 1 1  -20    2    1 f  338.111   6.1838  779.316   26.622  763.129   46.170  787.379   32.585  335.419   10.158  340.802   7.0555 -5.382721 12.36758 
1 1 1  -20    2    2 o  248.394   6.3895  415.317   21.393  360.086   29.015  481.105   31.667  230.427   9.2919  266.361   8.7730 -35.93414 12.77907 
1 1 1  -20    2    3 o  370.151   7.4191  928.869   37.214  928.869   37.214   0.0000   0.0000  370.151   7.4191  ?   ?       ?      ? 
1 1 1  -20    2    4 o  1284.63   20.266 11227.78  352.798 11227.78  352.798   0.0000   0.0000  1284.63   20.266  ?   ?       ?      ? 
1 1 1  -20    2    5 o  296.370   5.4159  589.125   19.015  582.520   22.004  608.608   37.790  293.165   5.5386  299.575   9.3087 -6.409515 10.83184 
1 1 1  -20    2    6 f  1358.33   17.424 12214.36  270.981 11912.53  307.612 13260.08  572.567  1324.03   17.144  1392.63   30.339 -68.59937 34.84849 
1 1 1  -20    2    7 o  813.230   10.844  4462.29  103.205  4433.96  118.836  4549.21  208.180  808.481   10.847  817.979   18.781 -9.498962 21.68796 
1 1 1  -20    2    8 o  500.844   7.3445  1702.42   43.444  1703.44   50.338  1699.42   86.006  501.269   7.4105  500.419   12.683 0.8499451 14.68893 
1 1 1  -20    2    9 o  772.337   8.9962  4047.82   94.153  4078.57  133.838  4017.70  132.478  775.239   12.740  769.435   12.705 5.803833 17.99245 
1 1 1  -20    2   10 o  688.469   8.1712  3215.61   76.233  3235.29  108.303  3196.29  107.322  690.554   11.573  686.383   11.538 4.171509 16.34243 
1 1 1  -20    2   11 o  776.534   9.0668  4092.05   95.408  4123.52  135.583  4061.19  134.282  779.489   12.835  773.578   12.809 5.911499 18.13369 
1 1 1  -20    2   12 o  495.348   6.3466  1663.50   42.597  1687.78   60.804  1640.09   59.695  498.897   8.9937  491.799   8.9570 7.097748 12.69314 
1 1 1  -20    2   13 o  832.670   9.6222  4706.36  108.575  4696.49  153.477  4716.25  153.619  831.795   13.616  833.545   13.600 -1.749451 19.24437 
1 1 1  -20    2   14 o  1340.23   14.928 12224.15  271.123 12231.12  383.597 12217.18  383.254  1340.62   21.115  1339.85   21.108 0.7620850 29.85605 
1 1 1  -20    2   15 o  299.599   4.8097  608.393   19.525  613.151   27.847  603.792   27.385  300.751   6.8326  298.448   6.7712 2.302979 9.619393 
1 1 1  -20    2   16 o  1302.88   14.523 11550.33  256.422 11555.96  362.814 11544.70  362.456  1303.19   20.544  1302.56   20.534 0.6320801 29.04682 
1 1 1  -20    2   17 o  395.157   7.8508  1058.68   42.040  1058.68   42.040   0.0000   0.0000  395.157   7.8508  ?   ?       ?      ? 
1 1 1  -20    2   18 o  274.307   9.3096  510.287   34.606  510.287   34.606   0.0000   0.0000  274.307   9.3096  ?   ?       ?      ? 
1 1 1  -20    2   19 o  334.229   7.1601  757.312   32.430   0.0000   0.0000  757.312   32.430  ?   ?   334.229   7.1601      ?      ? 
1 1 1  -20    2   20 o  1001.70   13.952  6647.73  174.626  7288.67  322.143  6381.02  207.806  1034.26   22.985  969.148   15.823 65.10956 27.90443 
1 1 1  -20    2   21 o  518.173   9.2878  1822.46   65.213  1789.78   91.678  1855.94   92.781  513.469   13.176  522.878   13.094 -9.409790 18.57552 
1 1 1  -20    2   22 o  436.131   7.2039  1294.07   40.197  1278.77   69.211  1301.85   49.380  434.096   11.765  438.165   8.3163 -4.069153 14.40774 
1 1 1  -20    2   23 o  1055.31   11.950  7569.67  170.888  7643.07  243.288  7498.20  240.088  1060.35   16.931  1050.27   16.869 10.08459 23.90032 
1 1 1  -20    2   24 o  941.294   10.760  6019.64  137.246  6034.68  194.532  6004.73  193.660  942.462   15.232  940.125   15.201 2.336304 21.51909 
1 1 1  -20    2   25 o  509.791   6.5377  1762.71   45.165  1764.50   63.981  1760.93   63.765  510.048   9.2567  509.534   9.2348 0.5141907 13.07545 
1 1 1  -20    2   26 o  466.058   7.5836  1458.74   44.771  1432.17   54.155  1516.13   79.581  459.534   8.6963  472.582   12.426 -13.04846 15.16715 
1 1 1  -20    2   27 o  474.399   7.6863  1516.36   46.265  1496.78   56.113  1557.94   81.756  469.771   8.8145  479.027   12.594 -9.255737 15.37251 
1 1 1  -20    2   28 o  799.248   9.3243  4338.23  100.991  4327.21  142.651  4349.31  142.995  798.230   13.188  800.266   13.186 -2.035767 18.64866 
1 1 1  -20    2   29 o  455.101   6.0840  1404.77   37.521  1405.17   53.137  1404.36   52.989  455.166   8.6148  455.036   8.5933 0.1305847 12.16799 
1 1 1  -20    2   30 o  615.465   7.5342  2569.95   62.829  2614.13   89.776  2527.54   87.959  620.646   10.674  610.283   10.636 10.36316 15.06835 
1 1 1  -20    2   31 o  1143.15   12.876  8895.61  199.463  8957.13  283.428  8835.25  280.758  1147.05   18.234  1139.24   18.186 7.816406 25.75261 
1 1 1  -20    2   32 o  719.865   8.5484  3518.57   83.388  3547.13  118.538  3490.60  117.327  722.754   12.103  716.976   12.076 5.778809 17.09679 
1 1 1  -20    2   33 o  236.976   4.6769  380.778   15.018  379.365   21.328  382.168   21.152  236.539   6.6536  237.413   6.5744 -0.8740234 9.353816 
1 1 1  -20    2   34 o  593.341   8.9579  2395.92   68.188  2405.02   83.958  2378.28  116.873  595.251   10.408  591.431   14.582 3.819641 17.91586 
1 1 1  -20    2   35 f  828.907   11.803  4663.32  124.875  4634.92  152.605  4720.87  217.246  825.756   13.638  832.058   19.267 -6.302734 23.60509 
1 1 1  -20    2   36 o  794.064   9.3086  4283.92  100.143  4195.95  139.831  4376.56  143.488  785.704   13.133  802.424   13.196 -16.71997 18.61714 
1 1 1  -20    2   37 o  414.943   5.8005  1167.64   32.609  1136.55   45.609  1200.15   46.641  409.293   8.2231  420.592   8.1832 -11.29855 11.60106 
1 1 1  -20    2   38 o  401.021   6.9639  1088.15   35.632  1102.69   62.073  1081.00   43.515  402.881   11.370  399.161   8.0446 3.719543 13.92778 
1 1 1  -20    2   39 o  732.057   10.662  3643.50   99.592  3665.97  173.104  3632.38  121.763  733.136   17.424  730.978   12.292 2.157776 21.32328 
1 1 1  -20    2   40 o  246.319   5.8353  412.943   18.421  408.068   31.606  415.450   22.669  245.151   9.5138  247.487   6.7594 -2.336380 11.67052 
1 1 1  -20    2   41 o  161.947   6.7996  177.990   14.910  175.324   20.607  180.920   21.600  160.680   9.4638  163.213   9.7659 -2.532349 13.59915 
1 1 1  -20    2   42 o  253.863   6.9475  437.637   23.896  429.543   33.419  446.105   34.183  251.463   9.8070  256.263   9.8434 -4.799515 13.89498 
1 1 1  -20    2   43 o  129.668   6.1835  111.704   10.143  120.999   18.244  107.546   12.202  133.442   10.089  125.895   7.1524 7.547104 12.36695 
1 1 1  -20    2   44 o  524.228   6.7696  1867.15   48.090  1872.97   68.215  1861.40   67.807  525.038   9.5875  523.417   9.5597 1.620667 13.53915 
1 1 1  -20    2   45 o  157.719   5.9598  164.121   11.895  156.113   14.281  182.262   21.493  151.673   6.9480  163.765   9.6850 -12.09224 11.91951 
1 1 1  -20    2   46 o  333.569   5.2647  755.269   23.797  761.665   33.871  749.036   33.440  334.962   7.4620  332.177   7.4287 2.785583 10.52932 
1 1 1  -20    2   47 o  557.158   7.0707  2109.94   53.373  2158.15   76.476  2064.17   74.524  563.356   10.017  550.960   9.9814 12.39624 14.14137 
1 1 1  -20    2   48 o  437.354   6.0375  1299.61   35.783  1291.76   50.504  1307.52   50.705  436.027   8.5473  438.681   8.5294 -2.654297 12.07505 
1 1 1  -20    2   49 o  261.905   4.8884  465.662   17.349  458.607   24.487  472.773   24.583  259.911   6.9522  263.900   6.8742 -3.989349 9.776881 
1 1 1  -20    2   50 o  443.587   6.0918  1336.86   36.612  1303.88   51.194  1371.38   52.380  437.989   8.6253  449.186   8.6051 -11.19766 12.18370 
1 1 1  -20    2   51 o  210.626   4.7517  301.210   13.562  298.516   19.223  303.881   19.136  209.685   6.7651  211.567   6.6744 -1.881546 9.503376 
1 1 1  -20    2   52 o  152.487   4.8866  157.937   10.095  154.865   14.331  160.964   14.224  151.010   7.0030  153.964   6.8173 -2.954422 9.773260 
1 1 1  -20    2   53 o  352.575   5.4210  844.654   25.900  852.250   36.787  837.187   36.472  354.147   7.6653  351.003   7.6676 3.144012 10.84205 
1 1 1  -20    2   54 o  254.923   5.8636  442.164   19.329  442.839   23.996  440.918   32.617  255.335   6.9351  254.511   9.4569 0.8238983 11.72728 
1 1 1  -20    2   55 f  391.692   8.0119  1044.40   42.471  975.011   58.629  1121.02   61.606  378.006   11.445  405.378   11.215 -27.37231 16.02386 
1 1 1  -20    2   56 o  291.528   6.1579  568.002   22.910  608.795   40.407  548.676   27.812  298.910   9.9755  284.146   7.2229 14.76373 12.31584 
1 1 1  -20    2   57 o  422.409   5.9775  1213.84   34.213  1233.08   48.823  1195.27   47.957  425.696   8.4634  419.123   8.4436 6.572876 11.95505 
1 1 1  -20    2   58 o  155.698   4.9363  164.732   10.414  167.246   14.816  162.275   14.642  156.873   6.9695  154.523   6.9925 2.350433 9.872589 
1 1 1  -20    2   59 o  240.466   4.8981  393.016   15.961  393.163   22.548  392.869   22.597  240.512   6.9180  240.420   6.9359 0.9204102E-01 9.796212 
1 1 1  -20    2   60 o  456.527   7.7230  1412.94   44.694  1453.72   79.089  1393.80   54.173  460.700   12.668  452.355   8.8373 8.345245 15.44607 
1 1 1  -20    2   61 o  214.720   7.1233  314.517   20.721  324.975   29.587  304.449   29.029  218.232   10.005  211.208   10.142 7.024750 14.24659 
1 1 1  -20    2   62 o  324.647   5.3384  716.939   23.483  702.445   32.917  731.961   33.511  321.305   7.5599  327.990   7.5395 -6.684692 10.67686 
1 1 1  -20    2   63 o  402.622   5.8611  1104.12   31.978  1108.86   45.402  1099.46   45.047  403.475   8.3038  401.769   8.2739 1.706024 11.72224 
1 1 1  -20    2   64 o  312.757   5.2815  665.681   22.384  671.710   31.809  659.767   31.504  314.159   7.4717  311.355   7.4666 2.804565 10.56300 
1 1 1  -20    2   65 o  148.102   5.3217  149.324   10.680  150.645   15.078  147.995   15.130  148.764   7.4793  147.441   7.5723 1.322479 10.64331 
1 1 1  -20    2   66 o  286.169   5.1571  557.378   19.998  562.333   28.443  552.533   28.124  287.426   7.3023  284.913   7.2842 2.512329 10.31423 
1 1 1  -20    2   67 o  124.835   5.4427  106.151   9.2058  108.750   13.065  103.587   12.974  126.358   7.6297  123.311   7.7640 3.047356 10.88540 
1 1 1  -20    2   68 o  329.497   5.4062  739.478   24.136  757.174   34.456  722.431   33.819  333.370   7.6270  325.624   7.6641 7.746704 10.81245 
1 1 1  -20    2   69 o  180.075   5.0667  220.848   12.363  224.827   17.528  216.908   17.440  181.695   7.1189  178.455   7.2117 3.240479 10.13345 
1 1 1  -20    2   70 o  326.524   6.5260  725.238   27.513  716.648   33.995  741.548   46.842  324.176   7.7385  328.872   10.510 -4.695404 13.05197 
1 1 1  -20    2   71 o  224.671   6.8767  345.799   20.928  333.311   29.500  358.451   29.695  220.551   9.8705  228.792   9.5777 -8.241058 13.75349 
1 1 1  -20    2   72 o  293.727   5.2673  588.608   20.965  594.201   29.834  583.151   29.468  295.102   7.4602  292.351   7.4381 2.750702 10.53469 
1 1 1  -20    2   73 o  325.248   5.4256  722.505   23.912  710.307   33.610  735.008   34.026  322.462   7.6915  328.034   7.6543 -5.571747 10.85116 
1 1 1  -20    2   74 o   82.838   7.0325   47.377   7.8296   40.211   11.006   54.720   11.141   76.383   10.633   89.293   9.2071 -12.91035 14.06507 
1 1 1  -20    2   75 o  257.981   5.1515  454.851   18.002  473.762   25.664  436.536   25.257  263.287   7.1931  252.676   7.3763 10.61169 10.30297 
1 1 1  -20    2   76 o  126.255   8.5203  111.290   14.508  122.674   20.424   99.694   20.612  132.986   11.333  119.524   12.726 13.46217 17.04066 
1 1 1  -20    2   77 f  196.869   5.0996  265.250   13.581  244.303   18.953  287.356   19.470  188.828   7.4068  204.910   7.0116 -16.08167 10.19915 
1 1 1  -20    2   78 o  220.123   5.0355  332.010   15.019  337.098   21.416  327.086   21.069  221.781   7.1259  218.466   7.1167 3.315079 10.07100 
1 1 1  -20    2   79 o  303.073   5.3182  630.752   21.833  655.563   31.306  607.256   30.465  308.895   7.4789  297.250   7.5630 11.64499 10.63635 
1 1 1  -20    2   80 f  160.186   5.0770  176.328   11.017  182.349   15.672  170.444   15.491  162.915   7.0988  157.457   7.2601 5.457870 10.15391 
1 1 1  -20    2   81 o  231.827   5.0209  369.669   15.770  380.053   22.525  359.687   22.086  235.033   7.0722  228.621   7.1289 6.411926 10.04178 
1 1 1  -20    2   82 o   58.408   8.6230   25.112   6.6046   23.563   9.3902   26.627   9.2912   56.457   12.594   60.359   11.782 -3.902111 17.24593 
1 1 1  -20    2   83 o   60.716   8.4302   26.860   6.7785   32.686   9.7111   21.323   9.4659   68.050   10.531   53.383   13.167 14.66710 16.86040 
1 1 1  -20    2   84 o  154.572   6.9452  168.417   14.533  159.313   20.476  177.658   20.630  150.215   10.059  158.928   9.5791 -8.712036 13.89032 
1 1 1  -20    2   85 o  100.430   8.0026   72.208   10.878   77.182   15.734   67.653   15.058  103.802   11.185   97.059   11.448 6.743073 16.00522 
1 1 1  -20    2   86 o  120.386   7.4643  103.712   12.172  107.233   17.234  100.207   17.194  122.532   10.379  118.241   10.731 4.291557 14.92853 
1 1 1  -20    2   87 o   80.089   9.2619   47.905   9.7310   39.933   13.395   56.815   14.161   71.938   14.244   88.241   11.842 -16.30330 18.52386 
1 1 1  -20    2   88 o  120.622   10.365  104.858   16.942  104.858   16.942   0.0000   0.0000  120.622   10.365  ?   ?       ?      ? 
1 1 1  -20    3    1 o  1169.72   15.116  9192.94  205.323  9077.36  235.224  9562.85  420.807  1155.99   15.016  1183.45   26.239 -27.45239 30.23192 
1 1 1  -20    3    2 o  586.420   8.2997  2386.78   58.254  2450.54   68.459  2219.47  110.901  601.154   8.4036  571.687   14.315 29.46661 16.59945 
1 1 1  -20    3    3 o  367.679   6.0365  931.096   26.523  947.826   31.066  886.115   50.939  373.938   6.1307  361.421   10.401 12.51669 12.07294 
1 1 1  -20    3    4 o  1029.02   13.390  7045.36  159.091  6907.29  181.463  7504.05  330.744  1008.71   13.275  1049.33   23.259 -40.62177 26.78097 
1 1 1  -20    3    5 o  802.760   10.708  4322.54  100.249  4271.09  115.082  4484.43  204.134  793.467   10.703  812.053   18.550 -18.58643 21.41629 
1 1 1  -20    3    6 o  394.875   6.3714  1056.96   34.094  1056.96   34.094   0.0000   0.0000  394.875   6.3714  ?   ?       ?      ? 
1 1 1  -20    3    7 o  1184.40   15.325  9528.40  245.965  9528.40  245.965   0.0000   0.0000  1184.40   15.325  ?   ?       ?      ? 
1 1 1  -20    3    8 o  374.618   6.0306  920.164   26.479  890.718   30.330  1014.54   54.300  362.500   6.1742  386.737   10.361 -24.23764 12.06117 
1 1 1  -20    3    9 o  482.382   7.1560  1582.16   40.943  1586.27   47.571  1570.40   80.413  483.720   7.2571  481.044   12.336 2.675201 14.31198 
1 1 1  -20    3   10 o  1119.61   14.538  8524.37  191.263  8517.84  221.006  8543.83  381.731  1119.98   14.562  1119.25   25.168 0.7344971 29.07695 
1 1 1  -20    3   11 o  484.553   6.2699  1589.53   41.134  1658.30   59.709  1527.40   56.749  494.511   8.9100  474.596   8.8238 19.91537 12.53981 
1 1 1  -20    3   12 o  364.120   6.3791  896.987   29.675  905.450   51.518  892.785   36.303  365.351   10.406  362.889   7.3822 2.462372 12.75821 
1 1 1  -20    3   13 o  1201.12   16.471  9727.18  250.489 10121.03  445.546  9545.17  302.890  1217.54   27.004  1184.70   18.867 32.84351 32.94179 
1 1 1  -20    3   14 o  396.305   6.7317  1069.09   34.172  1053.15   58.653  1077.29   42.045  393.997   10.985  398.612   7.7837 -4.615479 13.46342 
1 1 1  -20    3   15 o  803.493   11.433  4396.83  117.600  4355.00  202.332  4418.17  144.517  800.231   18.658  806.755   13.219 -6.523865 22.86616 
1 1 1  -20    3   16 o  1029.59   14.295  7278.47  189.662  7429.03  235.727  7002.08  319.385  1045.55   16.637  1013.63   23.252 31.91986 28.59081 
1 1 1  -20    3   17 o  361.853   6.5129  900.526   30.332  846.993   50.911  929.985   37.767  353.343   10.632  370.363   7.5249 -17.02011 13.02582 
1 1 1  -20    3   18 o  596.809   7.3207  2413.54   59.171  2494.43   85.518  2339.25   81.956  606.387   10.407  587.230   10.299 19.15692 14.64139 
1 1 1  -20    3   19 o  1192.34   13.364  9671.32  215.934  9694.06  305.986  9648.75  304.772  1193.73   18.915  1190.95   18.884 2.785645 26.72828 
1 1 1  -20    3   20 o  682.902   10.023  3173.39   87.381  3148.33  151.259  3185.94  107.051  680.610   16.400  685.194   11.529 -4.584106 20.04683 
1 1 1  -20    3   21 o  1142.66   15.768  8843.25  228.829  9054.99  403.086  8742.56  277.961  1151.56   25.830  1133.75   18.092 17.81372 31.53590 
1 1 1  -20    3   22 o  363.415   5.3248  895.044   26.216  867.735   36.654  923.645   37.512  357.742   7.5609  369.089   7.4998 -11.34711 10.64962 
1 1 1  -20    3   23 o  858.414   9.9098  5003.65  115.263  5076.32  164.624  4933.77  161.436  864.521   14.052  852.307   13.977 12.21399 19.81966 
1 1 1  -20    3   24 o  184.674   6.4104  231.201   16.043  231.201   16.043   0.0000   0.0000  184.674   6.4104  ?   ?       ?      ? 
1 1 1  -20    3   25 o  914.516   10.489  5682.48  129.981  5724.44  184.792  5641.39  182.865  917.854   14.857  911.180   14.810 6.674011 20.97737 
1 1 1  -20    3   26 o  656.653   7.9182  2926.49   70.460  2929.17   99.815  2923.83   99.476  656.951   11.212  656.356   11.184 0.5953979 15.83633 
1 1 1  -20    3   27 o  894.104   12.671  5488.79  145.631  5598.55  180.480  5283.96  246.552  907.669   14.673  880.538   20.662 27.13068 25.34216 
1 1 1  -20    3   28 o  581.475   8.8970  2308.39   66.164  2334.15   81.359  2258.08  113.695  586.507   10.236  576.443   14.555 10.06366 17.79394 
1 1 1  -20    3   29 o  1101.95   12.448  8263.52  185.877  8308.11  263.862  8219.59  261.889  1104.90   17.623  1099.01   17.585 5.891479 24.89538 
1 1 1  -20    3   30 o  341.979   5.2223  793.063   24.201  789.050   34.276  797.053   34.175  341.115   7.4150  342.843   7.3559 -1.727692 10.44468 
1 1 1  -20    3   31 o  302.003   4.9694  618.464   20.337  615.645   28.830  621.257   28.692  301.317   7.0606  302.689   6.9948 -1.372437 9.938761 
1 1 1  -20    3   32 o  255.467   5.6700  444.552   18.794  449.327   23.479  436.037   31.354  257.423   6.7304  253.511   9.1267 3.912247 11.33997 
1 1 1  -20    3   33 o  415.087   6.9998  1170.44   37.414  1172.89   46.230  1165.80   63.696  415.822   8.2041  414.352   11.344 1.470337 13.99965 
1 1 1  -20    3   34 o  186.386   6.5641  235.563   16.580   0.0000   0.0000  235.563   16.580  ?   ?   186.386   6.5641      ?      ? 
1 1 1  -20    3   35 o  631.241   7.7118  2703.22   65.934  2791.33   95.109  2621.69   91.486  641.130   10.947  621.352   10.865 19.77795 15.42360 
1 1 1  -20    3   36 o  278.618   4.8751  526.465   18.405  527.129   26.191  525.817   25.870  278.790   6.9326  278.445   6.8561 0.3441162 9.750234 
1 1 1  -20    3   37 o  767.719   9.0453  4007.14   94.103  4018.93  133.427  3995.47  132.738  768.839   12.806  766.598   12.777 2.240967 18.09055 
1 1 1  -20    3   38 o  753.054   10.917  3836.43  104.443  3938.42  183.980  3787.93  126.868  759.715   17.871  746.393   12.543 13.32141 21.83311 
1 1 1  -20    3   39 o  567.621   8.7539  2190.14   63.408  2193.44  110.087  2188.50   77.567  567.597   14.312  567.646   10.084 -0.4907227E-01 17.50782 
1 1 1  -20    3   40 o  222.464   5.7636  330.730   16.307  350.714   28.894  321.390   19.754  227.259   9.3823  217.668   6.6969 9.590469 11.52713 
1 1 1  -20    3   41 o  412.385   7.1334  1153.92   37.457  1159.80   65.377  1151.04   45.701  412.976   11.682  411.794   8.1897 1.181702 14.26672 
1 1 1  -20    3   42 o  604.039   7.4835  2479.59   61.250  2512.61   87.403  2447.73   85.859  607.985   10.608  600.093   10.558 7.892700 14.96707 
1 1 1  -20    3   43 o  232.525   4.7525  366.749   14.973  372.069   21.417  361.663   20.941  234.173   6.7489  230.878   6.6932 3.295242 9.505060 
1 1 1  -20    3   44 o  491.210   6.4802  1639.25   43.135  1626.66   60.850  1651.96   61.157  489.313   9.1768  493.107   9.1521 -3.794495 12.96047 
1 1 1  -20    3   45 o  661.614   11.450  2992.34  102.653  2993.11  144.842  2991.56  145.505  661.714   16.153  661.514   16.231 0.1997681 22.89906 
1 1 1  -20    3   46 o  365.046   7.8070  906.960   38.614  926.294   54.626  887.652   54.590  368.952   10.926  361.141   11.155 7.810455 15.61391 
1 1 1  -20    3   47 o  337.878   6.5804  774.967   28.268  772.900   34.441  779.233   49.485  337.379   7.5332  338.377   10.792 -0.9975281 13.16087 
1 1 1  -20    3   48 o  437.199   6.0482  1298.80   35.832  1283.11   50.433  1314.79   50.919  434.531   8.5646  439.867   8.5423 -5.335693 12.09645 
1 1 1  -20    3   49 f  641.002   7.8713  2797.96   68.367  2836.16   97.535  2761.05   95.857  645.296   11.154  636.708   11.110 8.588745 15.74262 
1 1 1  -20    3   50 o  286.720   5.0448  558.234   19.601  565.364   27.824  551.211   27.616  288.539   7.1160  284.901   7.1529 3.637817 10.08968 
1 1 1  -20    3   51 o  479.350   6.4067  1562.71   41.615  1546.62   58.599  1579.08   59.110  476.860   9.0681  481.841   9.0527 -4.981049 12.81332 
1 1 1  -20    3   52 o  524.237   6.8027  1870.01   48.320  1902.75   69.014  1838.53   67.676  528.734   9.6320  519.740   9.6088 8.994141 13.60530 
1 1 1  -20    3   53 o  330.140   6.3975  746.327   27.225  757.342   33.795  725.962   45.952  333.851   7.4700  326.429   10.388 7.421844 12.79495 
1 1 1  -20    3   54 o  151.679   5.8808  158.075   11.609  162.536   14.632  150.497   19.072  154.680   6.9806  148.679   9.4661 6.000534 11.76168 
1 1 1  -20    3   55 o  195.766   5.8451  261.808   14.670  257.114   25.107  264.241   18.076  194.304   9.5352  197.228   6.7633 -2.923264 11.69027 
1 1 1  -20    3   56 o  308.898   6.3229  651.169   24.995  644.601   43.017  654.516   30.712  307.479   10.324  310.317   7.3032 -2.837830 12.64588 
1 1 1  -20    3   57 o  538.774   6.9631  1978.39   50.836  1994.17   72.291  1962.95   71.503  540.894   9.8625  536.654   9.8321 4.240540 13.92621 
1 1 1  -20    3   58 o  265.278   4.9856  478.179   17.916  460.736   25.108  496.273   25.573  260.343   7.1169  270.213   6.9839 -9.870148 9.971204 
1 1 1  -20    3   59 o  420.183   7.3503  1200.82   39.292  1216.88   68.799  1193.05   47.867  421.746   12.038  418.619   8.4379 3.126923 14.70058 
1 1 1  -20    3   60 o  233.384   6.1314  376.065   18.193  356.008   31.340  386.258   22.344  228.405   10.126  238.363   6.9172 -9.958160 12.26273 
1 1 1  -20    3   61 o  245.660   6.1898  404.501   19.172  393.417   23.051  429.376   34.532  240.525   7.0720  250.794   10.161 -10.26814 12.37956 
1 1 1  -20    3   62 o  198.483   4.9135  267.927   13.214  263.171   18.688  272.684   18.688  196.714   7.0103  200.251   6.8867 -3.536850 9.827095 
1 1 1  -20    3   63 o  234.469   4.9598  373.886   15.758  379.572   22.437  368.352   22.136  236.229   7.0089  232.710   7.0196 3.518890 9.919616 
1 1 1  -20    3   64 o  190.267   5.0580  246.234   13.036  256.487   18.607  236.350   18.269  194.165   7.0717  186.369   7.2337 7.795288 10.11607 
1 1 1  -20    3   65 o  246.262   5.0062  412.630   16.704  402.094   23.514  423.364   23.733  243.080   7.1382  249.444   7.0209 -6.363861 10.01235 
1 1 1  -20    3   66 f  156.611   5.1581  166.964   10.947  168.500   15.534  165.449   15.428  157.328   7.2863  155.895   7.3029 1.432678 10.31610 
1 1 1  -20    3   67 o  204.450   4.9757  284.523   13.785  284.687   19.537  284.361   19.454  204.507   7.0497  204.393   7.0237 0.1138306 9.951380 
1 1 1  -20    3   68 o  139.002   5.3811  131.686   10.129  125.393   14.267  138.082   14.383  135.637   7.7619  142.367   7.4550 -6.730164 10.76212 
1 1 1  -20    3   69 o  238.468   5.0543  387.375   16.333  388.733   23.108  386.019   23.089  238.887   7.1382  238.049   7.1573 0.8385315 10.10850 
1 1 1  -20    3   70 o  245.860   6.9895  413.043   23.258  440.244   33.843  388.700   32.016  253.520   9.8508  238.199   9.9185 15.32089 13.97907 
1 1 1  -20    3   71 o  242.575   6.1127  406.028   19.137  389.837   32.086  414.967   23.841  238.437   9.9301  246.712   7.1311 -8.274933 12.22539 
1 1 1  -20    3   72 o  216.684   5.0619  320.210   14.861  328.546   21.198  312.154   20.840  219.462   7.1277  213.905   7.1893 5.557159 10.12373 
1 1 1  -20    3   73 o  413.601   6.0448  1171.37   33.879  1180.88   48.171  1162.06   47.658  415.256   8.5602  411.946   8.5372 3.309235 12.08969 
1 1 1  -20    3   74 o  106.666   6.0278   78.087   8.6981   73.062   12.324   83.076   12.278  103.199   8.8122  110.132   8.2269 -6.932831 12.05557 
1 1 1  -20    3   75 o  134.846   8.0745  126.039   14.753  125.576   20.679  126.519   21.053  134.616   11.336  135.077   11.501 -0.4608002 16.14890 
1 1 1  -20    3   76 f  148.888   7.9575  153.913   16.055  152.958   22.676  154.873   22.735  148.418   11.275  149.358   11.233 -0.9395447 15.91500 
1 1 1  -20    3   77 o  164.510   5.1677  185.372   11.517  190.978   16.523  180.076   16.061  166.928   7.3044  162.092   7.3120 4.836746 10.33531 
1 1 1  -20    3   78 o  263.582   5.1367  476.712   18.345  467.131   25.936  486.305   25.951  260.899   7.3359  266.265   7.1922 -5.366058 10.27344 
1 1 1  -20    3   79 o   46.689   9.6427   15.831   6.5251   13.565   9.2931   18.034   9.1641   43.799   13.923   49.578   13.345 -5.778820 19.28547 
1 1 1  -20    3   80 o  113.487   5.6572   88.914   8.6980   86.558   12.294   91.276   12.308  111.955   8.1032  115.020   7.8965 -3.064941 11.31440 
1 1 1  -20    3   81 o   42.722   9.3149   12.750   6.2684   6.7283   8.9288   18.601   8.8022   35.313   13.454   50.131   12.886 -14.81768 18.62982 
1 1 1  -20    3   82 o   82.344   6.7090   47.507   7.4595   42.858   10.521   52.206   10.578   78.163   9.9325   86.526   9.0216 -8.363045 13.41804 
1 1 1  -20    3   83 o   97.807   7.3515   70.296   9.1445   58.273   15.009   77.394   11.532   90.086   12.294  105.528   8.0643 -15.44182 14.70302 
1 1 1  -20    3   84 o  132.540   7.2002  124.169   12.904  136.021   18.644  113.271   17.877  138.748   9.9157  126.332   10.443 12.41611 14.40032 
1 1 1  -20    3   85 o   60.289   10.751   28.337   8.8042   25.705   12.471   30.953   12.431   57.303   15.628   63.275   14.766 -5.971821 21.50107 
1 1 1  -20    3   86 o  194.793   6.8961  269.422   18.178  290.143   26.273  250.395   25.176  202.115   9.5926  187.471   9.9099 14.64397 13.79220 
1 1 1  -20    3   87 o   86.733   8.8829   56.207   9.9556   43.105   13.809   70.386   14.366   74.732   14.154   98.734   10.737 -24.00196 17.76574 
1 1 1  -20    3   88 o  121.963   10.526  107.622   17.396  107.622   17.396   0.0000   0.0000  121.963   10.526  ?   ?       ?      ? 
1 1 1  -20    4    1 o  725.243   12.083  3575.98  118.736  3487.87  166.731  3666.64  169.131  716.166   17.180  734.319   16.996 -18.15283 24.16659 
1 1 1  -20    4    2 o  971.181   15.655  6416.94  205.845  6133.31  283.903  6731.31  298.892  948.611   22.085  993.751   22.195 -45.14056 31.31080 
1 1 1  -20    4    3 o  637.201   9.3379  2757.96   76.316  2760.32   93.871  2753.35  131.065  637.818   10.861  636.583   15.193 1.234802 18.67580 
1 1 1  -20    4    4 o  515.328   7.4838  1813.91   45.937  1827.48   53.562  1776.19   89.324  519.160   7.6133  511.496   12.887 7.663513 14.96768 
1 1 1  -20    4    5 o  752.417   10.115  3822.51   89.350  3800.06  103.057  3890.45  179.308  748.440   10.161  756.393   17.493 -7.953308 20.23014 
1 1 1  -20    4    6 o  508.360   7.4127  1770.41   44.935  1789.80   52.474  1717.09   87.011  513.787   7.5367  502.932   12.767 10.85464 14.82543 
1 1 1  -20    4    7 o  961.498   12.596  6248.01  141.825  6209.92  163.382  6364.44  285.669  956.465   12.605  966.532   21.810 -10.06653 25.19107 
1 1 1  -20    4    8 o  666.995   9.2305  3017.32   83.431  3017.32   83.431   0.0000   0.0000  666.995   9.2305  ?   ?       ?      ? 
1 1 1  -20    4    9 o  447.266   6.9217  1356.20   41.953  1356.20   41.953   0.0000   0.0000  447.266   6.9217  ?   ?       ?      ? 
1 1 1  -20    4   10 o  788.106   11.196  4198.61  112.601  4156.08  137.425  4285.48  196.419  782.437   12.961  793.775   18.260 -11.33826 22.39233 
1 1 1  -20    4   11 o  446.304   6.8229  1373.10   36.590  1399.80   43.011  1303.17   69.613  454.396   6.9848  438.211   11.723 16.18481 13.64572 
1 1 1  -20    4   12 o  674.204   11.318  3085.21  103.345  2972.19  143.223  3207.96  149.268  661.343   15.981  687.066   16.032 -25.72308 22.63654 
1 1 1  -20    4   13 o  977.562   13.581  6372.81  166.973  6849.74  303.034  6164.88  200.087  1002.58   22.304  952.544   15.501 50.03491 27.16165 
1 1 1  -20    4   14 o  513.727   6.5309  1789.96   45.465  1791.30   64.533  1788.65   64.065  513.915   9.2664  513.538   9.2059 0.3762817 13.06189 
1 1 1  -20    4   15 o  743.022   8.7279  3746.71   87.872  3794.38  125.380  3700.70  123.189  747.662   12.375  738.381   12.311 9.280579 17.45585 
1 1 1  -20    4   16 o  510.203   6.5206  1764.98   45.076  1798.04   64.445  1733.31   63.072  514.878   9.2363  505.527   9.2068 9.350983 13.04127 
1 1 1  -20    4   17 o  646.859   7.7915  2839.14   68.297  2852.87   97.023  2825.65   96.157  648.407   11.042  645.310   10.996 3.096924 15.58309 
1 1 1  -20    4   18 o  1005.10   11.408  6866.64  155.379  6875.21  220.126  6858.13  219.355  1005.72   16.151  1004.48   16.115 1.242676 22.81557 
1 1 1  -20    4   19 o  738.675   8.6971  3703.82   87.055  3726.13  123.710  3681.93  122.529  740.877   12.322  736.474   12.277 4.402100 17.39414 
1 1 1  -20    4   20 o  458.314   8.5503  1424.55   53.104   0.0000   0.0000  1424.55   53.104  ?   ?   458.314   8.5503      ?      ? 
1 1 1  -20    4   21 o  483.729   7.7648  1578.32   47.583  1614.91   84.252  1561.18   57.659  487.691   12.748  479.767   8.8685 7.924408 15.52966 
1 1 1  -20    4   22 o  870.688   10.036  5150.25  118.416  5148.66  167.577  5151.83  167.354  870.552   14.205  870.824   14.182 -0.2720337 20.07220 
1 1 1  -20    4   23 o  897.750   10.314  5475.69  125.461  5537.05  178.876  5416.28  176.017  902.693   14.623  892.807   14.548 9.885437 20.62714 
1 1 1  -20    4   24 o  941.923   10.769  6025.89  137.403  6191.39  197.880  5871.81  190.941  954.388   15.300  929.458   15.160 24.93042 21.53846 
1 1 1  -20    4   25 o  568.127   7.0880  2189.61   54.564  2218.74   77.851  2161.49   76.497  571.838   10.046  564.415   10.001 7.422913 14.17601 
1 1 1  -20    4   26 o  510.236   6.5585  1765.95   45.345  1780.92   64.583  1751.40   63.681  512.366   9.3016  508.106   9.2486 4.260132 13.11700 
1 1 1  -20    4   27 o  801.207   11.504  4374.02  117.738  4389.74  144.334  4342.75  203.545  803.879   13.249  798.535   18.810 5.343628 23.00772 
1 1 1  -20    4   28 o  463.944   7.6446  1466.49   45.242  1477.47   55.435  1444.59   78.293  466.694   8.7653  461.194   12.527 5.500885 15.28929 
1 1 1  -20    4   29 o  833.102   11.818  4701.13  125.578  4658.27  153.233  4788.77  219.140  827.949   13.657  838.254   19.291 -10.30518 23.63644 
1 1 1  -20    4   30 o  650.705   9.6084  2889.64   80.374  2916.32   99.321  2839.01  136.811  655.390   11.183  646.020   15.628 9.369995 19.21673 
1 1 1  -20    4   31 o  394.308   6.7839  1058.46   34.527  1066.20   42.835  1044.09   58.340  396.470   7.9726  392.146   10.978 4.323486 13.56784 
1 1 1  -20    4   32 o  377.685   5.4840  967.576   28.068  962.586   39.733  972.546   39.654  376.712   7.7833  378.659   7.7278 -1.946808 10.96806 
1 1 1  -20    4   33 o  208.575   4.6328  295.234   13.083  282.841   18.581  307.420   18.425  204.226   6.7139  212.924   6.3855 -8.697433 9.265616 
1 1 1  -20    4   34 f  833.517   9.6989  4724.76  109.550  4744.98  155.440  4704.81  154.419  835.285   13.732  831.749   13.700 3.536377 19.39774 
1 1 1  -20    4   35 o  458.762   6.1558  1428.28   38.269  1421.97   54.112  1434.60   54.130  457.746   8.7234  459.777   8.6877 -2.030945 12.31153 
1 1 1  -20    4   36 o  635.819   7.7602  2744.97   66.844  2809.57   95.948  2684.06   93.177  643.078   11.010  628.561   10.939 14.51703 15.52039 
1 1 1  -20    4   37 o  503.863   6.5541  1723.03   44.743  1754.25   64.065  1693.31   62.516  508.313   9.3005  499.414   9.2373 8.899200 13.10826 
1 1 1  -20    4   38 o  185.255   6.5604  232.786   16.470   0.0000   0.0000  232.786   16.470  ?   ?   185.255   6.5604      ?      ? 
1 1 1  -20    4   39 o  458.981   8.7226  1430.24   54.253   0.0000   0.0000  1430.24   54.253  ?   ?   458.981   8.7226      ?      ? 
1 1 1  -20    4   40 o  830.154   9.6987  4693.66  109.104  4724.24  155.067  4663.68  153.536  832.825   13.740  827.484   13.692 5.340454 19.39733 
1 1 1  -20    4   41 o  343.368   5.2957  800.189   24.641  799.083   34.963  801.280   34.733  343.130   7.5190  343.605   7.4593 -0.4757690 10.59136 
1 1 1  -20    4   42 o  339.710   5.2858  782.764   24.325  804.667   34.961  762.211   33.866  344.311   7.4928  335.108   7.4577 9.203552 10.57161 
1 1 1  -20    4   43 o  204.700   4.7249  284.195   13.103  290.216   18.802  278.509   18.271  206.806   6.7090  202.594   6.6549 4.211716 9.449807 
1 1 1  -20    4   44 o  326.357   6.5015  728.015   27.012  736.318   33.068  711.368   46.826  329.337   7.4095  323.376   10.685 5.960968 13.00304 
1 1 1  -20    4   45 o  203.307   6.0022  285.198   15.361  293.125   18.698  268.742   26.942  207.825   6.6393  198.790   10.001 9.035278 12.00433 
1 1 1  -20    4   46 o  351.830   5.3932  839.566   25.697  801.550   35.666  880.598   37.054  343.555   7.6609  360.105   7.5933 -16.54953 10.78643 
1 1 1  -20    4   47 o  379.715   5.5976  978.913   28.796  1004.31   41.286  954.853   40.183  384.508   7.9234  374.922   7.9090 9.585663 11.19521 
1 1 1  -20    4   48 o  570.798   7.2050  2217.34   55.731  2211.83   78.792  2222.86   78.840  570.085   10.199  571.510   10.180 -1.424927 14.41004 
1 1 1  -20    4   49 o  169.016   4.7882  194.046   10.961  188.038   15.564  199.960   15.440  166.412   6.9016  171.620   6.6390 -5.208176 9.576404 
1 1 1  -20    4   50 o  505.098   6.6335  1735.37   45.399  1759.92   64.855  1711.78   63.571  508.593   9.4100  501.602   9.3523 6.991333 13.26703 
1 1 1  -20    4   51 o  203.525   5.9075  286.994   15.397  264.623   25.956  299.141   19.126  197.166   9.7146  209.884   6.7245 -12.71779 11.81496 
1 1 1  -20    4   52 o  119.079   7.6879   96.370   12.406   96.370   12.406   0.0000   0.0000  119.079   7.6879  ?   ?       ?      ? 
1 1 1  -20    4   53 o  333.144   6.7140  746.808   28.020  732.853   33.573  778.841   50.867  328.373   7.5447  337.916   11.108 -9.543243 13.42810 
1 1 1  -20    4   54 o  589.880   7.4309  2371.89   59.394  2403.81   84.749  2341.09   83.262  593.771   10.533  585.990   10.485 7.780518 14.86181 
1 1 1  -20    4   55 o  117.325   6.4566   94.617   9.7369   90.861   16.475   96.633   12.071  115.424   10.533  119.227   7.4710 -3.802696 12.91326 
1 1 1  -20    4   56 o  422.206   5.9674  1212.63   34.135  1239.19   48.868  1187.32   47.702  426.717   8.4508  417.695   8.4274 9.022034 11.93473 
1 1 1  -20    4   57 o  323.925   5.2782  713.350   23.167  723.043   33.082  704.024   32.452  326.080   7.4866  321.770   7.4424 4.310425 10.55645 
1 1 1  -20    4   58 o  415.802   7.2968  1170.79   38.502  1205.62   68.011  1154.36   46.708  419.814   11.955  411.790   8.3701 8.023560 14.59358 
1 1 1  -20    4   59 o  144.390   6.3740  140.948   11.677  145.241   20.641  138.928   14.160  145.854   10.443  142.925   7.3109 2.928925 12.74792 
1 1 1  -20    4   60 o  371.057   7.0420  946.359   33.236  959.609   40.694  919.811   57.600  375.458   7.9981  366.655   11.593 8.802826 14.08393 
1 1 1  -20    4   61 o  380.301   7.1184  993.093   34.436  1004.12   42.133  970.915   59.763  384.009   8.0965  376.593   11.710 7.415497 14.23688 
1 1 1  -20    4   62 o  288.668   5.1531  567.007   20.155  554.653   28.469  579.420   28.538  285.504   7.3583  291.832   7.2162 -6.328430 10.30624 
1 1 1  -20    4   63 o  163.806   5.2185  182.710   11.576  179.453   16.586  185.804   16.165  162.366   7.5380  165.246   7.2187 -2.879990 10.43702 
1 1 1  -20    4   64 o  591.182   7.4919  2389.20   60.001  2449.37   86.161  2332.54   83.605  598.388   10.625  583.975   10.565 14.41302 14.98374 
1 1 1  -20    4   65 o  214.509   4.9762  313.080   14.464  317.246   20.636  309.058   20.278  215.909   7.0531  213.109   7.0217 2.800110 9.952393 
1 1 1  -20    4   66 o  223.905   4.9974  341.222   15.161  333.717   21.335  348.879   21.549  221.412   7.1105  226.398   7.0240 -4.986359 9.994746 
1 1 1  -20    4   67 o  235.751   5.0358  378.514   16.084  369.091   22.758  387.917   22.736  232.804   7.2136  238.698   7.0287 -5.893890 10.07168 
1 1 1  -20    4   68 o  273.179   5.1534  508.414   19.076  509.957   27.192  506.918   26.767  273.578   7.3347  272.780   7.2410 0.7969971 10.30685 
1 1 1  -20    4   69 f   95.823   7.4843   63.237   9.4846   64.167   12.207   61.820   15.066   96.850   9.3011   94.796   11.728 2.054398 14.96850 
1 1 1  -20    4   70 o  292.376   7.2603  586.613   28.752  563.245   40.519  610.313   40.805  286.450   10.438  298.303   10.094 -11.85349 14.52068 
1 1 1  -20    4   71 o  214.447   5.0494  313.681   14.672  313.219   20.891  314.132   20.611  214.281   7.1945  214.614   7.0871 -0.3334656 10.09886 
1 1 1  -20    4   72 o  138.824   5.3978  131.806   10.141  124.296   14.370  139.257   14.313  134.845   7.8637  142.802   7.3964 -7.957245 10.79556 
1 1 1  -20    4   73 o  176.164   5.0892  211.890   12.146  217.319   17.398  206.727   16.965  178.364   7.1980  173.964   7.1964 4.400421 10.17837 
1 1 1  -20    4   74 o  156.299   5.2204  167.174   11.051  161.937   15.698  172.320   15.560  153.842   7.5298  158.757   7.2326 -4.915512 10.44075 
1 1 1  -20    4   75 o  244.735   7.4660  414.023   24.741  391.728   34.429  437.831   35.577  237.869   10.681  251.600   10.435 -13.73071 14.93197 
1 1 1  -20    4   76 o  148.068   5.2977  150.419   10.615  141.136   14.990  159.758   15.035  143.430   7.7122  152.705   7.2654 -9.275650 10.59544 
1 1 1  -20    4   77 o   66.094   8.1532   31.221   7.0617   25.756   9.9925   36.673   9.9809   59.480   12.778   72.707   10.130 -13.22648 16.30630 
1 1 1  -20    4   78 o  213.018   5.0093  311.390   14.450  295.919   20.286  327.325   20.588  207.598   7.2111  218.438   6.9552 -10.83911 10.01869 
1 1 1  -20    4   79 o   39.100   9.3725   9.7224   6.1703   4.9572   8.6683   14.617   8.7850   33.283   13.098   44.917   13.410 -11.63368 18.74500 
1 1 1  -20    4   80 o   55.787   8.7413   22.847   6.6788   14.666   9.4412   31.042   9.4493   45.030   13.994   66.544   10.479 -21.51470 17.48261 
1 1 1  -20    4   81 o  126.769   5.3926  111.264   9.2384  101.758   13.049  120.819   13.082  121.225   7.9431  132.314   7.2958 -11.08871 10.78521 
1 1 1  -20    4   82 o  193.275   5.0255  257.569   13.146  276.271   18.995  240.376   18.213  200.049   7.0067  186.501   7.2062 13.54755 10.05105 
1 1 1  -20    4   83 o  188.110   6.9088  249.417   17.606  249.997   25.218  248.865   24.592  188.236   9.8862  187.983   9.6535 0.2530518 13.81764 
1 1 1  -20    4   84 o   69.958   10.190   37.334   9.3316   38.529   13.525   36.248   12.892   70.979   14.550   68.937   14.270 2.042160 20.37950 
1 1 1  -20    4   85 o  103.317   8.0479   76.829   11.118   94.169   16.253   61.580   15.242  114.742   10.453   91.892   12.240 22.84937 16.09590 
1 1 1  -20    4   86 o  214.407   6.9960  328.051   20.316  340.649   29.272  316.341   28.221  218.377   9.8915  210.436   9.8960 7.940521 13.99193 
1 1 1  -20    4   87 o   78.058   12.885   45.381   13.629   45.381   13.629   0.0000   0.0000   78.058   12.885  ?   ?       ?      ? 
1 1 1  -20    5    1 o  1062.24   14.671  7705.59  199.702  7737.19  245.664  7644.03  342.897  1066.48   16.998  1057.99   23.917 8.491455 29.34185 
1 1 1  -20    5    2 o  738.135   9.9288  3658.66   85.833  3617.05   98.751  3787.23  173.580  730.140   9.9805  746.129   17.167 -15.98840 19.85767 
1 1 1  -20    5    3 o  754.473   10.773  3854.32  104.116  3824.32  127.629  3914.00  180.015  750.480   12.550  758.465   17.514 -7.984680 21.54622 
1 1 1  -20    5    4 o  299.110   5.2879  592.948   19.020  577.641   22.119  636.385   37.261  291.918   5.5914  306.302   8.9769 -14.38300 10.57584 
1 1 1  -20    5    5 o  123.512   4.6279  102.187   7.2631   99.951   8.8025  106.957   12.856  121.432   5.3492  125.592   7.5536 -4.159767 9.255889 
1 1 1  -20    5    6 o  481.300   7.5396  1583.93   46.883  1612.78   58.393  1531.60   78.645  487.626   8.8367  474.974   12.219 12.65289 15.07916 
1 1 1  -20    5    7 o  650.693   10.956  2877.37   96.595  2831.14  135.638  2924.94  137.595  645.389   15.509  655.997   15.478 -10.60883 21.91103 
1 1 1  -20    5    8 o  246.411   6.1003  412.049   20.358  400.085   28.985  423.696   28.599  242.874   8.8067  249.948   8.4436 -7.073883 12.20052 
1 1 1  -20    5    9 o  816.786   10.979  4527.40  121.518  4527.40  121.518   0.0000   0.0000  816.786   10.979  ?   ?       ?      ? 
1 1 1  -20    5   10 o  156.178   5.2187  165.327   11.045  165.327   11.045   0.0000   0.0000  156.178   5.2187  ?   ?       ?      ? 
1 1 1  -20    5   11 o  811.192   10.824  4454.63  103.312  4436.87  119.355  4507.68  206.310  808.589   10.893  813.796   18.708 -5.207397 21.64787 
1 1 1  -20    5   12 o  253.754   5.1330  440.580   15.919  445.950   18.872  427.335   29.637  256.498   5.4293  251.011   8.7129 5.486511 10.26607 
1 1 1  -20    5   13 o  646.418   8.9553  2868.75   69.077  2904.77   80.737  2770.36  133.443  654.401   9.1042  638.435   15.424 15.96600 17.91056 
1 1 1  -20    5   14 o  472.231   7.0307  1502.81   39.465  1491.95   45.796  1534.13   77.791  469.086   7.2043  475.377   12.076 -6.290680 14.06133 
1 1 1  -20    5   15 o  112.318   6.7850   85.530   10.327   85.530   10.327   0.0000   0.0000  112.318   6.7850  ?   ?       ?      ? 
1 1 1  -20    5   16 o  283.984   4.7593  546.008   18.302  567.097   26.515  526.817   25.294  289.214   6.7652  278.755   6.6960 10.45859 9.518626 
1 1 1  -20    5   17 o  750.180   8.8049  3820.69   89.504  3856.62  127.539  3785.83  125.637  753.650   12.488  746.711   12.416 6.939453 17.60982 
1 1 1  -20    5   18 o  741.367   8.7242  3731.32   87.640  3768.68  124.929  3695.11  122.979  745.016   12.374  737.718   12.301 7.298401 17.44837 
1 1 1  -20    5   19 o  1075.86   12.159  7874.25  177.260  7922.34  251.894  7827.08  249.491  1079.11   17.225  1072.62   17.164 6.491455 24.31730 
1 1 1  -20    5   20 o  816.302   9.4861  4524.28  104.908  4613.44  150.471  4439.94  146.339  824.116   13.474  808.488   13.357 15.62750 18.97214 
1 1 1  -20    5   21 o  684.481   10.086  3216.83   88.585  3078.37  150.322  3290.50  109.646  672.750   16.489  696.213   11.622 -23.46252 20.17275 
1 1 1  -20    5   22 o  1311.47   14.680 11721.56  260.848 11932.83  373.459 11520.32  364.493  1322.98   20.831  1299.96   20.691 23.01477 29.36042 
1 1 1  -20    5   23 o  409.352   5.6980  1136.12   31.602  1155.16   45.225  1117.94   44.178  412.703   8.0865  406.001   8.0297 6.701294 11.39596 
1 1 1  -20    5   24 o  269.099   4.7600  490.780   17.354  500.334   24.885  481.734   24.213  271.647   6.7600  266.551   6.7031 5.095551 9.519943 
1 1 1  -20    5   25 o  417.372   6.9605  1184.55   37.483  1190.17   46.450  1174.05   63.467  418.893   8.1827  415.852   11.262 3.040619 13.92104 
1 1 1  -20    5   26 o  462.398   7.4364  1451.50   44.284  1451.96   54.704  1450.62   75.432  462.633   8.7256  462.164   12.044 0.4690857 14.87275 
1 1 1  -20    5   27 f  447.460   8.5373  1358.27   51.767  1358.27   51.767   0.0000   0.0000  447.460   8.5373  ?   ?       ?      ? 
1 1 1  -20    5   28 o  468.777   7.7372  1514.52   46.476  1564.59   57.606  1421.17   78.662  480.209   8.8522  457.344   12.692 22.86441 15.47439 
1 1 1  -20    5   29 o  395.096   5.6187  1058.88   30.082  1060.01   42.656  1057.77   42.431  395.304   7.9628  394.887   7.9291 0.4165955 11.23732 
1 1 1  -20    5   30 o  890.026   10.260  5388.42  123.742  5362.28  174.560  5414.83  175.440  887.857   14.508  892.196   14.511 -4.339661 20.51948 
1 1 1  -20    5   31 o  783.432   9.1905  4172.16   97.568  4204.02  138.772  4141.02  137.204  786.384   13.022  780.479   12.973 5.904724 18.38105 
1 1 1  -20    5   32 o  208.944   4.6212  296.181   13.080  289.477   18.602  302.737   18.395  206.601   6.6444  211.287   6.4244 -4.685440 9.242340 
1 1 1  -20    5   33 o  226.254   4.6571  347.118   14.276  350.373   20.411  344.000   19.976  227.291   6.6268  225.217   6.5451 2.074066 9.314112 
1 1 1  -20    5   34 o  541.320   6.8752  1989.01   50.424  2025.82   72.208  1953.97   70.444  546.203   9.7555  536.437   9.6904 9.766296 13.75043 
1 1 1  -20    5   35 o  542.679   6.9063  1998.54   50.768  2050.33   73.108  1950.31   70.553  549.457   9.8185  535.901   9.7151 13.55579 13.81256 
1 1 1  -20    5   36 o  624.532   9.3617  2631.90   74.241  2719.16  131.125  2590.74   90.067  631.617   15.320  617.446   10.764 14.17145 18.72332 
1 1 1  -20    5   37 o  406.017   7.0338  1128.47   36.590  1093.34   62.485  1146.81   45.139  400.991   11.499  411.044   8.1036 -10.05240 14.06756 
1 1 1  -20    5   38 o  232.762   5.8764  364.927   17.243  375.647   30.858  360.060   20.792  235.147   9.6837  230.377   6.6600 4.770172 11.75287 
1 1 1  -20    5   39 o  373.375   5.5290  946.247   27.973  950.706   39.846  941.913   39.279  374.238   7.8569  372.510   7.7811 1.728180 11.05793 
1 1 1  -20    5   40 o  421.630   5.8799  1207.16   33.595  1202.71   47.602  1211.58   47.421  420.852   8.3466  422.409   8.2843 -1.556335 11.75989 
1 1 1  -20    5   41 o  389.007   5.6238  1027.42   29.645  1033.18   42.193  1021.81   41.661  390.081   7.9818  387.934   7.9247 2.146790 11.24765 
1 1 1  -20    5   42 f  553.887   7.0234  2085.39   52.710  2116.12   75.269  2055.81   73.840  557.886   9.9560  549.888   9.9091 7.997681 14.04677 
1 1 1  -20    5   43 o  465.850   6.2621  1474.64   39.532  1464.30   55.825  1485.04   55.987  464.209   8.8743  467.491   8.8375 -3.281677 12.52419 
1 1 1  -20    5   44 o  418.223   7.3073  1193.51   38.920  1200.38   47.597  1179.64   67.609  420.341   8.3560  416.105   11.990 4.236023 14.61451 
1 1 1  -20    5   45 o  387.449   5.6574  1018.51   29.686  1062.07   42.850  978.313   41.165  395.405   7.9969  379.493   8.0046 15.91248 11.31476 
1 1 1  -20    5   46 o  188.581   6.0243  243.584   14.315  246.920   17.372  236.529   25.264  190.717   6.7218  186.446   9.9993 4.270874 12.04863 
1 1 1  -20    5   47 o  357.934   5.4343  870.248   26.357  878.487   37.531  862.231   37.024  359.603   7.7017  356.265   7.6687 3.338531 10.86851 
1 1 1  -20    5   48 o  161.382   4.8426  176.855   10.586  176.610   15.196  177.087   14.754  161.268   6.9535  161.496   6.7417 -0.2285461 9.685142 
1 1 1  -20    5   49 o  495.393   6.5414  1669.39   43.909  1692.03   62.675  1647.56   61.535  498.686   9.2744  492.100   9.2275 6.585754 13.08289 
1 1 1  -20    5   50 o  248.915   5.8367  425.509   18.874  436.870   23.722  405.913   31.155  253.617   6.9024  244.214   9.4140 9.402878 11.67332 
1 1 1  -20    5   51 o  295.851   6.0567  589.888   23.112  577.909   28.460  613.088   39.606  291.648   7.2011  300.054   9.7406 -8.405609 12.11340 
1 1 1  -20    5   52 o  142.839   4.9600  138.722   9.5927  135.427   13.748  141.848   13.391  141.175   7.1860  144.503   6.8386 -3.327438 9.919960 
1 1 1  -20    5   53 o  338.989   5.3579  781.210   24.612  775.810   34.834  786.594   34.780  337.814   7.6093  340.163   7.5450 -2.349304 10.71586 
1 1 1  -20    5   54 o  237.265   5.8734  376.907   17.764  400.911   31.349  365.554   21.559  242.584   9.5361  231.945   6.8591 10.63907 11.74672 
1 1 1  -20    5   55 o  142.630   5.1379  138.656   9.9021  132.030   14.333  144.706   13.696  139.340   7.5908  145.920   6.9262 -6.579803 10.27577 
1 1 1  -20    5   56 o  147.788   6.1286  150.407   11.564  143.571   19.802  153.945   14.246  145.085   10.072  150.492   6.9855 -5.407516 12.25721 
1 1 1  -20    5   57 f  337.939   11.058  780.244   50.641   0.0000   0.0000  780.244   50.641  ?   ?   337.939   11.058      ?      ? 
1 1 1  -20    5   58 o  384.180   8.2374  1009.63   42.884  1004.91   60.367  1014.43   60.931  383.283   11.622  385.077   11.676 -1.794678 16.47473 
1 1 1  -20    5   59 o  330.986   5.3954  745.448   24.199  739.163   34.127  751.804   34.320  329.580   7.6410  332.391   7.6194 -2.810364 10.79078 
1 1 1  -20    5   60 o  136.979   6.7026  126.323   11.497  123.681   13.765  132.419   20.906  134.814   7.5344  139.144   11.087 -4.330750 13.40514 
1 1 1  -20    5   61 o  127.217   5.4351  110.152   9.3681  111.229   13.408  109.125   13.095  127.821   7.7406  126.614   7.6319 1.206398 10.87029 
1 1 1  -20    5   62 o  276.706   5.1525  521.081   19.319  518.558   27.435  523.563   27.210  276.034   7.3343  277.378   7.2389 -1.344574 10.30505 
1 1 1  -20    5   63 o   45.822   9.8727   14.456   6.7068   16.398   9.6416   12.636   9.3355   48.269   13.952   43.375   13.972 4.893936 19.74549 
1 1 1  -20    5   64 o  279.406   5.1574  531.153   19.522  545.998   28.009  517.129   27.224  283.199   7.2984  275.612   7.2889 7.586823 10.31477 
1 1 1  -20    5   65 o  410.518   5.9701  1149.47   33.211  1140.19   46.949  1158.77   46.987  408.849   8.4738  412.186   8.4121 -3.336884 11.94019 
1 1 1  -20    5   66 o  218.991   4.9911  326.377   14.807  332.849   21.263  320.282   20.633  221.092   7.0968  216.889   7.0199 4.202469 9.982202 
1 1 1  -20    5   67 o  226.852   5.0045  350.151   15.377  362.944   22.179  338.309   21.337  230.836   7.0900  222.868   7.0649 7.967468 10.00909 
1 1 1  -20    5   68 o  144.446   6.3418  146.350   11.883  157.476   15.142  128.510   19.175  151.991   7.3516  136.900   10.336 15.09079 12.68362 
1 1 1  -20    5   69 o  199.819   6.8583  272.813   18.544  290.619   27.099  257.132   25.430  205.930   9.7106  193.708   9.6877 12.22238 13.71670 
1 1 1  -20    5   70 o  293.850   5.2770  589.278   21.011  595.367   29.954  583.381   29.481  295.338   7.4843  292.362   7.4411 2.975769 10.55392 
1 1 1  -20    5   71 o  167.830   5.2148  191.364   11.800  220.573   17.316  166.041   16.123  179.772   7.1081  155.888   7.6324 23.88383 10.42968 
1 1 1  -20    5   72 o  150.138   5.2858  153.450   10.730  168.246   15.719  140.542   14.682  156.901   7.3931  143.375   7.5566 13.52596 10.57167 
1 1 1  -20    5   73 f  157.496   5.2142  169.517   11.124  174.607   16.023  164.782   15.455  159.771   7.4005  155.221   7.3475 4.549881 10.42844 
1 1 1  -20    5   74 o  132.095   8.1398  121.204   14.569  118.687   20.477  123.785   20.733  130.692   11.562  133.498   11.460 -2.806717 16.27957 
1 1 1  -20    5   75 o  123.847   5.7482  105.218   9.6367  108.533   14.029  102.257   13.260  125.668   8.2378  122.025   8.0191 3.642166 11.49637 
1 1 1  -20    5   76 o  107.585   5.8220   79.755   8.4763   75.555   12.049   83.870   11.926  104.725   8.4904  110.446   7.9684 -5.721169 11.64404 
1 1 1  -20    5   77 o   89.095   6.6039   55.889   7.7769   42.215   11.040   69.359   10.957   77.847   10.465  100.344   8.0578 -22.49684 13.20786 
1 1 1  -20    5   78 o   32.897   8.5833   2.2559   6.1216  -9.1922   8.7838   13.068   8.5361   23.000   10.844   42.794   13.308 -19.79420 17.16664 
1 1 1  -20    5   79 o  133.729   5.3370  123.229   9.6675  127.120   13.923  119.607   13.434  135.759   7.5682  131.699   7.5271 4.060379 10.67401 
1 1 1  -20    5   80 f  184.559   4.9985  234.693   12.498  238.422   17.926  231.166   17.435  185.966   7.1131  183.153   7.0246 2.812485 9.997091 
1 1 1  -20    5   81 o   80.486   6.5793   45.321   7.1740   46.810   10.249   43.892   10.045   81.797   9.2464   79.175   9.3623 2.621986 13.15862 
1 1 1  -20    5   82 o  166.247   6.2011  196.490   13.163  183.019   22.302  203.690   16.306  160.865   10.230  171.628   7.0108 -10.76221 12.40211 
1 1 1  -20    5   83 f   90.650   8.8664   61.082   10.316   46.097   14.611   75.981   14.569   77.944   14.362  103.357   10.402 -25.41290 17.73277 
1 1 1  -20    5   84 o  108.255   7.8163   84.258   11.462   85.439   16.473   83.149   15.959  108.930   11.160  107.579   10.947 1.350052 15.63252 
1 1 1  -20    5   85 o  129.652   7.4127  120.505   13.008  126.006   18.979  115.631   17.864  132.367   10.580  126.936   10.385 5.431831 14.82531 
1 1 1  -20    5   87 o   67.870   15.768   37.192   14.225   37.192   14.225   0.0000   0.0000   67.870   15.768  ?   ?       ?      ? 
1 1 1  -20    6    1 o  484.751   6.2761  1592.71   41.209  1542.66   57.261  1646.48   59.353  476.859   8.8610  492.642   8.8905 -15.78329 12.55228 
1 1 1  -20    6    2 o  681.573   9.9276  3209.67   87.971  3358.62  111.313  2961.85  143.575  703.307   11.679  659.839   16.057 43.46869 19.85514 
1 1 1  -20    6    3 o  1366.69   21.712 12676.52  399.250 14241.52  610.698 11508.37  527.617  1439.04   31.316  1294.34   30.081 144.6956 43.42305 
1 1 1  -20    6    4 o  564.792   8.5110  2156.00   61.958  2133.78   76.409  2198.67  105.873  560.748   10.055  568.836   13.735 -8.088501 17.02192 
1 1 1  -20    6    5 o  331.680   5.5989  736.579   22.379  725.580   26.124  766.913   43.383  327.155   5.8925  336.204   9.5221 -9.049042 11.19781 
1 1 1  -20    6    6 o  239.110   4.9853  391.727   14.650  397.462   17.445  378.005   26.984  242.148   5.3163  236.072   8.4349 6.076111 9.970505 
1 1 1  -20    6    7 o  721.623   9.7546  3515.20   82.857  3492.00   95.679  3584.78  165.691  717.385   9.8420  725.861   16.845 -8.476257 19.50917 
1 1 1  -20    6    8 o  504.505   7.2912  1672.57   43.050  1621.64   49.292  1836.28   88.383  489.020   7.4382  519.991   12.543 -30.97131 14.58236 
1 1 1  -20    6    9 o  331.813   5.6224  723.477   22.239  699.341   25.692  795.606   44.414  321.187   5.9027  342.439   9.5710 -21.25208 11.24481 
1 1 1  -20    6   10 o  188.814   5.2581  241.656   13.454  241.656   13.454   0.0000   0.0000  188.814   5.2581  ?   ?       ?      ? 
1 1 1  -20    6   11 o  330.466   5.5962  715.847   22.103  689.751   25.555  793.346   44.039  318.977   5.9120  341.956   9.5035 -22.97873 11.19234 
1 1 1  -20    6   12 o  496.029   7.2674  1660.65   42.876  1650.93   49.789  1688.57   84.349  493.415   7.4462  498.643   12.483 -5.228363 14.53486 
1 1 1  -20    6   13 o  723.750   9.8065  3556.24   83.887  3553.15   97.213  3565.25  166.005  723.631   9.9134  723.867   16.923 -0.2360229 19.61291 
1 1 1  -20    6   14 o  243.358   5.1283  407.358   15.384  415.827   18.387  387.594   28.088  247.676   5.4783  239.040   8.6709 8.635437 10.25654 
1 1 1  -20    6   15 o  328.206   5.7331  742.733   22.921  759.035   27.187  702.665   42.622  334.609   5.9957  321.802   9.7737 12.80753 11.46615 
1 1 1  -20    6   16 o  553.942   7.8963  2057.52   51.634  2031.65   59.623  2135.12  103.263  547.314   8.0389  560.571   13.594 -13.25690 15.79267 
1 1 1  -20    6   17 o  1342.38   17.361 12447.71  276.397 12586.53  322.004 12059.13  538.743  1359.77   17.475  1325.00   30.004 34.77393 34.72217 
1 1 1  -20    6   18 o  685.713   8.1903  3189.68   76.069  3286.72  109.702  3099.80  105.574  695.744   11.635  675.682   11.530 20.06116 16.38059 
1 1 1  -20    6   19 o  484.445   7.6083  1578.53   47.227  1549.33   57.759  1637.44   82.032  477.885   8.9189  491.004   12.329 -13.11926 15.21654 
1 1 1  -20    6   20 o  570.311   10.015  2211.33   77.388  2166.07  109.644  2256.26  109.244  564.473   14.334  576.150   13.992 -11.67712 20.03076 
1 1 1  -20    6   21 f  483.145   8.9059  1585.98   58.279  1521.13   82.135  1651.74   82.706  473.175   12.809  493.115   12.377 -19.94003 17.81181 
1 1 1  -20    6   22 o  374.965   6.5187  954.186   31.620  954.593   39.260  953.434   53.347  375.159   7.7225  374.771   10.504 0.3876648 13.03736 
1 1 1  -20    6   23 o  702.761   8.3663  3349.07   79.606  3487.21  115.550  3224.28  109.828  716.523   11.900  689.000   11.763 27.52258 16.73261 
1 1 1  -20    6   24 o  752.437   8.8576  3846.86   90.316  3831.48  127.592  3862.30  127.861  750.928   12.538  753.946   12.515 -3.018860 17.71514 
1 1 1  -20    6   25 o  516.624   6.6159  1810.76   46.309  1841.26   66.289  1781.68   64.720  520.869   9.3914  512.379   9.3211 8.489868 13.23180 
1 1 1  -20    6   26 o  178.672   6.6175  216.485   16.023  216.485   16.023   0.0000   0.0000  178.672   6.6175  ?   ?       ?      ? 
1 1 1  -20    6   27 o  791.729   11.449  4324.85  116.797  4457.90  145.564  4084.37  195.701  809.718   13.266  773.739   18.664 35.97888 22.89860 
1 1 1  -20    6   28 o  625.834   7.6454  2660.13   64.838  2670.74   92.065  2649.68   91.330  627.069   10.834  624.598   10.790 2.471375 15.29078 
1 1 1  -20    6   29 o  1031.94   11.738  7258.02  164.142  7277.00  232.726  7239.24  231.542  1033.28   16.621  1030.61   16.579 2.669434 23.47549 
1 1 1  -20    6   30 o  367.871   5.4181  918.180   27.009  914.972   38.349  921.338   38.045  367.231   7.7060  368.512   7.6184 -1.280823 10.83613 
1 1 1  -20    6   31 o  343.934   5.2439  802.287   24.436  814.165   34.985  790.973   34.145  346.416   7.4526  341.451   7.3793 4.965210 10.48784 
1 1 1  -20    6   32 o  484.281   7.7465  1584.34   47.812  1621.38   83.665  1566.38   58.264  488.224   12.646  480.339   8.9510 7.884613 15.49295 
1 1 1  -20    6   33 o  386.236   6.7811  1016.84   33.564  1001.79   57.547  1024.60   41.320  383.913   11.061  388.560   7.8473 -4.646759 13.56214 
1 1 1  -20    6   34 o  236.178   5.6121  372.563   16.931  396.469   29.767  361.130   20.585  241.627   9.0908  230.729   6.5835 10.89793 11.22428 
1 1 1  -20    6   35 o  274.383   4.8474  510.892   18.019  497.733   25.501  524.014   25.465  270.849   6.9478  277.917   6.7615 -7.068634 9.694824 
1 1 1  -20    6   36 o  375.923   5.5121  958.140   28.063  991.929   40.562  927.118   38.866  382.270   7.8301  369.577   7.7603 12.69345 11.02417 
1 1 1  -20    6   37 o  369.480   6.7628  924.870   31.606  935.261   55.956  920.002   38.301  370.813   11.136  368.146   7.6773 2.666595 13.52557 
1 1 1  -20    6   38 o  217.912   5.8484  325.193   16.040  315.032   28.354  329.975   19.452  215.295   9.7186  220.529   6.5089 -5.233536 11.69689 
1 1 1  -20    6   39 o  445.269   6.0609  1346.40   36.566  1366.72   52.275  1326.92   51.167  448.555   8.5999  441.984   8.5428 6.571472 12.12175 
1 1 1  -20    6   40 o  307.488   5.0951  641.774   21.229  645.122   30.268  638.532   29.782  308.274   7.2454  306.702   7.1656 1.572235 10.19028 
1 1 1  -20    6   41 o  231.923   4.7498  365.093   14.926  363.386   21.254  366.753   20.966  231.385   6.7783  232.461   6.6556 -1.076767 9.499620 
1 1 1  -20    6   42 f  147.862   4.8229  148.724   9.6421  139.095   13.757  158.021   13.518  143.137   7.0922  152.587   6.5376 -9.449860 9.645750 
1 1 1  -20    6   43 f  347.625   6.6841  827.971   29.557  840.135   36.191  803.606   51.220  351.712   7.5933  343.538   11.002 8.174683 13.36821 
1 1 1  -20    6   44 o  392.347   7.0535  1041.54   35.112  1030.78   42.619  1064.27   61.949  389.496   8.0745  395.197   11.568 -5.701263 14.10692 
1 1 1  -20    6   45 o  495.785   6.5320  1671.22   43.877  1702.23   62.808  1641.66   61.322  500.271   9.2646  491.300   9.2105 8.970306 13.06393 
1 1 1  -20    6   46 o  267.723   4.9399  486.873   17.916  471.966   25.342  501.767   25.331  263.616   7.0940  271.830   6.8766 -8.214508 9.879867 
1 1 1  -20    6   47 o  264.398   4.8922  474.778   17.528  468.498   24.777  481.069   24.798  262.644   6.9615  266.152   6.8756 -3.508118 9.784478 
1 1 1  -20    6   48 o  258.754   5.8427  457.340   19.608  462.669   24.495  447.831   32.717  260.995   6.9256  256.513   9.4119 4.482269 11.68538 
1 1 1  -20    6   49 o  381.754   6.7962  993.471   33.458  996.192   41.423  988.365   56.748  382.794   7.9854  380.714   10.999 2.079712 13.59247 
1 1 1  -20    6   50 o  323.092   5.2428  709.491   22.953  700.987   32.499  717.956   32.423  321.154   7.4675  325.032   7.3611 -3.878113 10.48563 
1 1 1  -20    6   51 o  367.472   5.5369  918.172   27.571  918.637   39.219  917.719   38.766  367.556   7.8739  367.387   7.7866 0.1693115 11.07380 
1 1 1  -20    6   52 o  204.302   4.8223  283.746   13.341  271.863   18.886  295.583   18.850  200.018   6.9676  208.587   6.6686 -8.568756 9.644562 
1 1 1  -20    6   53 o  520.312   8.3530  1848.70   55.376  1854.94   96.425  1845.63   67.643  520.203   13.678  520.422   9.5915 -0.2193604 16.70607 
1 1 1  -20    6   54 o  357.272   6.7677  873.800   30.869  858.526   53.270  881.522   37.876  354.550   11.087  359.993   7.7641 -5.442566 13.53533 
1 1 1  -20    6   55 o  162.874   6.2004  184.741   12.682  169.551   22.170  192.129   15.461  157.617   10.379  168.131   6.7859 -10.51366 12.40080 
1 1 1  -20    6   56 o  242.786   6.0730  401.336   18.720  401.793   32.815  401.116   22.793  242.670   9.9788  242.902   6.9246 -0.2319946 12.14606 
1 1 1  -20    6   57 o  333.626   5.3761  757.203   24.302  765.716   34.723  749.029   34.025  335.457   7.6384  331.795   7.5673 3.662598 10.75213 
1 1 1  -20    6   58 o  136.217   5.2403  126.213   9.6709  127.626   13.859  124.871   13.502  136.956   7.4672  135.479   7.3542 1.477448 10.48065 
1 1 1  -20    6   59 o  193.482   6.3621  262.052   15.509  275.142   19.018  236.065   26.796  201.130   6.9777  185.834   10.640 15.29593 12.72427 
1 1 1  -20    6   60 o  399.181   5.8822  1085.75   31.818  1084.22   45.194  1087.24   44.803  398.892   8.3606  399.470   8.2764 -0.5773315 11.76430 
1 1 1  -20    6   61 o   79.457   8.9416   44.288   8.8015   43.234   15.194   44.820   10.797   77.910   14.935   81.003   9.8364 -3.093353 17.88324 
1 1 1  -20    6   62 o  205.266   6.0574  287.901   15.993  285.423   27.245  289.203   19.754  204.383   9.8369  206.149   7.0713 -1.765900 12.11481 
1 1 1  -20    6   63 o  232.861   6.2592  364.319   18.463  354.368   22.294  386.050   32.944  228.153   7.2106  237.568   10.233 -9.414764 12.51834 
1 1 1  -20    6   64 o  405.153   7.3985  1141.42   38.379  1180.76   47.576  1068.14   64.941  416.036   8.4387  394.269   12.155 21.76733 14.79692 
1 1 1  -20    6   65 o  103.694   6.1340   73.555   8.5955   67.415   12.175   79.656   12.136   99.338   9.0445  108.051   8.2886 -8.713631 12.26798 
1 1 1  -20    6   66 o  294.917   5.2513  592.580   20.982  604.172   30.067  581.576   29.294  297.721   7.4524  292.113   7.4003 5.608398 10.50256 
1 1 1  -20    6   67 o  212.697   5.9831  307.299   16.619  302.548   20.811  315.664   27.613  210.665   7.2898  214.729   9.4895 -4.063934 11.96623 
1 1 1  -20    6   68 o  149.452   7.3674  152.358   14.868  170.350   22.033  137.314   20.148  157.518   10.322  141.387   10.516 16.13120 14.73489 
1 1 1  -20    6   69 o  321.852   5.4377  707.590   23.710  686.423   33.466  728.921   33.595  316.985   7.7908  326.719   7.5879 -9.733917 10.87535 
1 1 1  -20    6   70 o  264.124   5.1381  476.339   18.387  478.708   26.300  474.074   25.716  264.748   7.3306  263.500   7.2017 1.248016 10.27628 
1 1 1  -20    6   71 o  110.893   5.8599   84.291   8.8008   82.821   12.594   85.694   12.303  109.922   8.4546  111.863   8.1163 -1.940910 11.71988 
1 1 1  -20    6   72 o  202.811   5.0416  281.362   13.849  273.854   19.707  288.689   19.467  200.100   7.2675  205.521   6.9896 -5.420135 10.08319 
1 1 1  -20    6   73 o   83.190   10.826   49.791   11.919   55.721   17.086   44.171   16.635   88.951   14.175   77.429   16.366 11.52232 21.65103 
1 1 1  -20    6   74 f  233.104   5.1551  372.539   16.277  364.589   23.182  380.271   22.861  230.603   7.4182  235.605   7.1603 -5.001587 10.31019 
1 1 1  -20    6   75 o  109.364   5.9285   82.872   8.7220   72.325   12.434   93.088   12.238  102.345   8.9654  116.383   7.7594 -14.03830 11.85690 
1 1 1  -20    6   76 o  116.249   5.6917   93.090   8.9627   94.039   12.885   92.201   12.475  116.801   8.1408  115.698   7.9566 1.103271 11.38333 
1 1 1  -20    6   77 o  172.392   5.1345  204.087   11.985  214.068   17.370  195.017   16.557  176.407   7.2661  168.378   7.2565 8.029358 10.26905 
1 1 1  -20    6   78 o  145.578   5.2688  145.779   10.382  154.253   15.129  138.238   14.272  149.562   7.4645  141.594   7.4380 7.967667 10.53766 
1 1 1  -20    6   79 o   89.282   6.3865   55.482   7.7190   59.090   11.118   52.125   10.725   92.114   8.9071   86.449   9.1549 5.665016 12.77290 
1 1 1  -20    6   80 o   82.467   6.8261   47.956   7.5560   55.613   10.729   40.421   10.643   89.253   8.8707   75.682   10.378 13.57069 13.65225 
1 1 1  -20    6   81 o   76.369   10.070   44.527   10.009   35.352   14.768   52.324   13.613   67.324   16.350   85.413   11.761 -18.08887 20.14028 
1 1 1  -20    6   82 o  141.117   9.8779  141.036   18.890   0.0000   0.0000  141.036   18.890  ?   ?   141.117   9.8779      ?      ? 
1 1 1  -20    6   83 o  136.116   7.5364  134.623   13.623  107.369   19.529  160.457   19.014  121.624   11.849  150.607   9.3161 -28.98293 15.07279 
1 1 1  -20    6   84 o   43.776   11.031   13.701   8.2014   14.990   12.397   12.698   10.937   45.257   16.085   42.296   15.101 2.960999 22.06290 
1 1 1  -20    6   85 o   98.543   11.409   70.882   15.235   70.882   15.235   0.0000   0.0000   98.543   11.409  ?   ?       ?      ? 
1 1 1  -20    6   86 o  105.210   11.315   81.087   16.132   81.087   16.132   0.0000   0.0000  105.210   11.315  ?   ?       ?      ? 
1 1 1  -20    7    1 o  594.287   8.8665  2411.37   67.928  2363.98  114.881  2436.85   84.231  589.493   14.381  599.082   10.375 -9.589722 17.73299 
1 1 1  -20    7    2 o  236.353   5.2212  374.547   16.049  394.176   27.088  363.929   19.923  241.038   8.2929  231.668   6.3460 9.369736 10.44239 
1 1 1  -20    7    3 o  134.473   5.3564  126.015   9.2863  110.962   15.225  134.932   11.718  127.879   8.7857  141.068   6.1299 -13.18922 10.71285 
1 1 1  -20    7    4 o  1290.91   20.573 11466.52  359.872 11532.21  512.603 11402.69  505.347  1294.47   29.222  1287.36   28.967 7.117310 41.14627 
1 1 1  -20    7    5 o  287.296   5.6478  568.411   21.223  595.285   27.076  525.598   34.175  296.283   6.7437  278.308   9.0616 17.97446 11.29556 
1 1 1  -20    7    6 o  414.814   6.7653  1142.47   35.934  1093.77   43.688  1244.34   63.180  401.544   8.0288  428.084   10.891 -26.54016 13.53050 
1 1 1  -20    7    7 o  477.657   7.4502  1513.91   45.332  1450.49   54.839  1650.76   80.556  462.364   8.7523  492.949   12.059 -30.58459 14.90049 
1 1 1  -20    7    8 o  564.001   8.4947  2173.82   61.877  2204.64   76.959  2117.47  104.067  569.914   9.9647  558.088   13.760 11.82544 16.98941 
1 1 1  -20    7    9 o  690.240   11.634  3235.89  108.823  3235.89  108.823   0.0000   0.0000  690.240   11.634  ?   ?       ?      ? 
1 1 1  -20    7   10 o  252.580   6.5906  432.596   22.558  432.596   22.558   0.0000   0.0000  252.580   6.5906  ?   ?       ?      ? 
1 1 1  -20    7   11 f  712.338   10.238  3338.02   91.423  3167.30  108.842  3747.05  168.477  682.869   11.762  741.806   16.760 -58.93768 20.47513 
1 1 1  -20    7   12 o  575.244   8.6279  2249.86   63.870  2253.89   78.864  2242.19  108.881  576.231   10.100  574.256   13.991 1.974426 17.25578 
1 1 1  -20    7   13 o  453.833   7.0689  1475.01   39.357  1602.23   47.812  1207.62   69.316  486.050   7.2590  421.616   12.132 64.43436 14.13779 
1 1 1  -20    7   14 o  416.201   6.4560  1161.96   32.109  1147.16   37.320  1204.13   63.001  411.302   6.6957  421.099   11.040 -9.796875 12.91205 
1 1 1  -20    7   15 o  299.411   5.4600  602.384   19.890  595.292   23.373  621.010   37.876  296.316   5.8206  302.507   9.2394 -6.191345 10.92002 
1 1 1  -20    7   16 o  1318.95   17.071 11818.98  262.895 11727.55  302.422 12101.78  531.868  1312.12   17.008  1325.78   29.604 -13.66223 34.14187 
1 1 1  -20    7   17 o  133.571   5.1264  122.053   8.8007  124.403   10.900  117.653   14.915  135.455   5.9383  131.687   8.3581 3.768570 10.25289 
1 1 1  -20    7   18 o  255.367   5.0812  422.090   15.810  398.357   18.419  488.542   30.820  242.398   5.6072  268.336   8.4756 -25.93710 10.16245 
1 1 1  -20    7   19 o  595.738   8.9462  2442.90   69.050  2522.70   86.644  2304.00  114.309  609.529   10.490  581.947   14.495 27.58240 17.89230 
1 1 1  -20    7   20 o  242.830   5.9264  413.041   17.969  365.663   31.430  436.046   21.901  232.079   9.9936  253.580   6.3732 -21.50153 11.85283 
1 1 1  -20    7   21 o  639.602   7.7517  2778.33   67.184  2744.04   94.496  2813.38   95.537  635.611   10.971  643.593   10.954 -7.982483 15.50332 
1 1 1  -20    7   22 o  389.778   5.5317  1029.89   29.203  985.421   40.712  1077.03   41.914  381.113   7.8829  398.443   7.7626 -17.32932 11.06336 
1 1 1  -20    7   23 o  483.552   6.3282  1583.61   41.421  1663.31   60.327  1512.53   56.972  495.034   8.9928  472.071   8.9058 22.96274 12.65639 
1 1 1  -20    7   24 o  174.122   4.5528  205.272   10.732  213.332   15.607  198.041   14.782  177.358   6.4934  170.886   6.3835 6.471832 9.105651 
1 1 1  -20    7   25 o  471.764   6.2277  1509.45   39.797  1454.42   55.435  1567.97   57.168  462.897   8.8372  480.632   8.7772 -17.73483 12.45535 
1 1 1  -20    7   26 o  490.696   7.9664  1666.31   50.290  1738.47   62.788  1537.16   83.994  506.036   9.1561  475.356   13.039 30.67996 15.93274 
1 1 1  -20    7   27 o  391.086   6.7553  1035.69   33.816  1047.55   58.505  1029.74   41.440  392.622   10.996  389.550   7.8501 3.072266 13.51058 
1 1 1  -20    7   28 o  586.567   8.8566  2309.35   65.870  2428.27  117.155  2254.38   79.652  597.074   14.479  576.061   10.203 21.01282 17.71328 
1 1 1  -20    7   29 o  602.238   9.0378  2422.39   68.772  2593.58  123.633  2345.69   82.758  616.926   14.788  587.550   10.394 29.37598 18.07565 
1 1 1  -20    7   30 o  431.134   5.9282  1257.88   34.579  1336.39   50.673  1189.45   47.304  443.681   8.4280  418.588   8.3392 25.09369 11.85636 
1 1 1  -20    7   31 o  234.304   4.6879  371.295   14.862  395.495   21.741  350.069   20.361  241.447   6.6448  227.160   6.6145 14.28763 9.375722 
1 1 1  -20    7   32 o  573.358   7.1693  2231.66   55.670  2308.32   80.462  2161.27   77.104  582.784   10.188  563.933   10.089 18.85138 14.33866 
1 1 1  -20    7   33 o  338.919   5.2294  777.867   23.991  820.568   34.920  739.695   33.016  347.708   7.4109  330.131   7.3800 17.57663 10.45877 
1 1 1  -20    7   34 o  246.903   4.7367  413.627   15.845  414.641   22.648  412.655   22.178  247.196   6.7608  246.610   6.6362 0.5863190 9.473495 
1 1 1  -20    7   35 f  516.348   6.6641  1810.43   46.610  1862.36   67.115  1762.06   64.781  523.489   9.4608  509.208   9.3880 14.28024 13.32820 
1 1 1  -20    7   36 o  217.572   5.8129  317.173   15.844  332.807   28.810  310.395   18.971  221.270   9.6081  213.874   6.5455 7.396744 11.62580 
1 1 1  -20    7   37 o  200.680   5.8692  274.614   14.779  270.730   26.391  276.388   17.838  199.546   9.7595  201.813   6.5226 -2.266647 11.73847 
1 1 1  -20    7   38 o  277.049   4.9033  520.670   18.402  534.486   26.459  507.726   25.611  280.605   6.9583  273.493   6.9102 7.111267 9.806549 
1 1 1  -20    7   39 o  180.166   4.6794  220.074   11.416  226.303   16.542  214.409   15.774  182.594   6.6853  177.738   6.5492 4.856628 9.358733 
1 1 1  -20    7   40 o  204.486   4.6901  283.590   12.990  291.553   18.732  276.213   18.030  207.247   6.6699  201.725   6.5955 5.521530 9.380221 
1 1 1  -20    7   41 o  518.443   6.7139  1827.68   47.162  1855.28   67.424  1801.24   65.993  522.267   9.5267  514.619   9.4630 7.648315 13.42781 
1 1 1  -20    7   42 o  391.037   7.0458  1042.80   35.059  1047.03   42.824  1034.20   61.051  392.539   8.0505  389.536   11.566 3.003448 14.09155 
1 1 1  -20    7   43 o  392.071   7.0552  1040.84   35.088  1030.87   42.590  1061.91   61.908  389.473   8.0695  394.670   11.575 -5.197601 14.11032 
1 1 1  -20    7   44 o  177.301   4.7236  213.507   11.346  209.754   16.131  217.181   15.962  175.753   6.7730  178.848   6.5859 -3.095337 9.447108 
1 1 1  -20    7   45 o  107.031   6.1250   74.402   8.6749   61.472   10.941   96.295   14.237   95.079   8.4913  118.983   8.8296 -23.90374 12.25006 
1 1 1  -20    7   46 o  208.927   5.6404  299.602   15.380  307.904   19.454  285.762   25.117  212.922   6.7423  204.931   9.0443 7.990814 11.28085 
1 1 1  -20    7   47 o  390.909   6.8359  1023.99   34.253  991.051   41.787  1091.44   59.800  381.777   8.0769  400.041   11.031 -18.26407 13.67184 
1 1 1  -20    7   48 f  244.211   4.8624  405.217   16.075  381.725   22.595  429.298   22.876  237.027   7.0344  251.394   6.7148 -14.36737 9.724785 
1 1 1  -20    7   49 o  153.207   4.9520  159.597   10.271  157.011   14.797  162.001   14.267  151.998   7.1835  154.417   6.8181 -2.419159 9.904050 
1 1 1  -20    7   50 o  300.170   5.1282  612.342   20.856  617.834   29.814  607.079   29.187  301.481   7.2976  298.858   7.2067 2.623627 10.25632 
1 1 1  -20    7   51 o  238.376   4.9023  386.003   15.830  392.307   22.766  380.101   22.027  240.254   6.9924  236.499   6.8728 3.754776 9.804590 
1 1 1  -20    7   52 o  330.081   6.5688  742.987   27.601  740.632   48.084  744.145   33.707  329.372   10.773  330.790   7.5195 -1.418396 13.13769 
1 1 1  -20    7   53 o  217.157   6.8583  320.539   20.182   0.0000   0.0000  320.539   20.182  ?   ?   217.157   6.8583      ?      ? 
1 1 1  -20    7   54 o  408.664   7.1951  1121.96   37.236  1189.89   66.492  1090.92   44.944  417.037   11.766  400.290   8.2854 16.74692 14.39016 
1 1 1  -20    7   55 o  256.221   4.9981  446.580   17.346  430.302   24.525  462.871   24.535  251.531   7.1952  260.911   6.9393 -9.379440 9.996242 
1 1 1  -20    7   56 f  174.146   4.9461  206.335   11.665  203.433   16.737  209.075   16.265  172.942   7.1416  175.351   6.8450 -2.409180 9.892281 
1 1 1  -20    7   57 f  275.082   5.0800  514.336   18.928  530.741   27.262  499.067   26.301  279.310   7.2027  270.853   7.1656 8.457031 10.15993 
1 1 1  -20    7   58 o  260.386   6.3679  456.199   20.982  445.425   25.331  479.748   37.451  255.844   7.3062  264.927   10.432 -9.083344 12.73577 
1 1 1  -20    7   59 o  162.078   5.1651  178.681   11.334  181.192   16.428  176.400   15.658  163.152   7.4305  161.005   7.1765 2.147079 10.33027 
1 1 1  -20    7   60 o  267.913   5.0842  487.687   18.443  510.936   26.744  466.603   25.467  273.989   7.2029  261.836   7.1775 12.15240 10.16846 
1 1 1  -20    7   61 o  292.456   5.2001  582.458   20.605  574.841   29.293  589.917   28.989  290.547   7.4399  294.366   7.2672 -3.819000 10.40018 
1 1 1  -20    7   62 o  262.673   5.1012  470.004   18.149  454.409   25.731  485.445   25.603  258.310   7.3507  267.035   7.0751 -8.725372 10.20245 
1 1 1  -20    7   63 o  105.871   6.1274   76.526   8.7787   76.301   12.746   76.728   12.108  105.702   8.8983  106.040   8.4262 -0.3384552 12.25482 
1 1 1  -20    7   64 o  226.436   5.0759  349.511   15.564  335.464   22.068  363.415   21.955  221.878   7.3394  230.993   7.0137 -9.115067 10.15182 
1 1 1  -20    7   65 o  276.059   5.2108  519.562   19.492  513.721   27.609  525.367   27.523  274.500   7.4220  277.618   7.3160 -3.118317 10.42160 
1 1 1  -20    7   66 o   88.656   7.9234   52.854   9.3611   47.825   11.991   60.702   14.979   83.447   10.604   93.865   11.776 -10.41834 15.84679 
1 1 1  -20    7   67 o  156.371   6.3423  165.744   12.680  172.526   22.121  162.425   15.475  158.469   10.301  154.274   7.4019 4.195160 12.68456 
1 1 1  -20    7   68 o  225.364   7.2514  349.359   22.137  351.003   30.912  347.629   31.715  225.960   10.095  224.768   10.412 1.191528 14.50282 
1 1 1  -20    7   69 o  272.290   6.4167  501.831   22.263  488.699   27.044  529.445   39.215  267.400   7.4631  277.181   10.440 -9.781281 12.83334 
1 1 1  -20    7   70 o  186.910   5.0783  238.663   12.858  244.050   18.478  233.606   17.904  188.946   7.2168  184.874   7.1466 4.071350 10.15655 
1 1 1  -20    7   71 o  208.946   5.0652  298.504   14.336  303.594   20.643  293.763   19.924  210.646   7.2317  207.245   7.0942 3.400772 10.13037 
1 1 1  -20    7   72 o  205.411   7.5797  292.811   21.083  298.424   29.448  286.908   30.198  207.540   10.471  203.281   10.962 4.259262 15.15931 
1 1 1  -20    7   73 o  112.588   5.9865   87.187   9.1095   96.167   13.112   78.809   12.665  118.244   8.1832  106.931   8.7400 11.31372 11.97296 
1 1 1  -20    7   74 o  158.969   5.1772  173.671   11.141  168.732   15.977  178.344   15.543  156.709   7.5237  161.229   7.1139 -4.520309 10.35441 
1 1 1  -20    7   75 o  129.159   5.5272  115.304   9.6045   98.991   13.506  131.992   13.661  119.744   8.3233  138.574   7.2746 -18.83047 11.05431 
1 1 1  -20    7   76 o  144.598   5.2977  144.393   10.343  130.571   14.635  158.187   14.620  137.550   7.8515  151.646   7.1144 -14.09563 10.59535 
1 1 1  -20    7   77 o  106.495   8.3374   82.244   11.713   65.562   17.264   96.472   15.944   95.601   13.326  117.390   10.023 -21.78893 16.67478 
1 1 1  -20    7   78 o  161.079   6.6194  187.168   13.206  166.076   23.319  197.128   16.024  153.086   11.241  169.073   6.9937 -15.98749 13.23876 
1 1 1  -20    7   79 o   76.781   7.0560   41.431   7.3325   44.190   10.656   38.950   10.105   79.218   9.9268   74.344   10.030 4.874168 14.11193 
1 1 1  -20    7   80 o  117.377   6.9101   92.954   10.347  110.200   18.583   85.204   12.457  124.271   11.035  110.482   8.3202 13.78917 13.82011 
1 1 1  -20    7   81 o   66.473   10.710   34.522   9.4251   31.309   13.920   37.243   12.807   62.983   16.213   69.964   13.997 -6.980991 21.41950 
1 1 1  -20    7   82 o   78.818   9.6825   46.297   10.060   54.428   14.951   39.570   13.598   86.018   12.827   71.618   14.508 14.40022 19.36507 
1 1 1  -20    7   83 o   79.862   9.5153   48.737   9.8938   41.345   14.418   55.316   13.602   72.567   15.151   87.157   11.516 -14.58981 19.03064 
1 1 1  -20    7   84 o   64.942   15.128   33.540   13.066   33.540   13.066   0.0000   0.0000   64.942   15.128  ?   ?       ?      ? 
1 1 1  -20    7   85 o   40.567   15.299   11.118   11.471   11.118   11.471   0.0000   0.0000   40.567   15.299  ?   ?       ?      ? 
1 1 1  -20    8    1 o  316.306   4.9508  678.718   21.221  680.075   30.003  677.359   30.018  316.623   6.9927  315.989   7.0102 0.6336670 9.901579 
1 1 1  -20    8    2 f  448.372   5.9810  1364.45   36.340  1376.29   51.587  1352.78   51.200  450.304   8.4538  446.440   8.4631 3.863800 11.96203 
1 1 1  -20    8    3 f  482.903   7.8464  1590.88   48.117  1566.73   83.986  1602.69   58.707  479.914   12.914  485.891   8.9159 -5.976990 15.69286 
1 1 1  -20    8    4 o  393.415   5.5687  1049.64   29.680  1024.67   41.380  1076.10   42.593  388.599   7.8579  398.230   7.8927 -9.630737 11.13734 
1 1 1  -20    8    5 o  406.171   6.3899  1147.60   31.581  1185.37   37.548  1056.29   58.384  418.052   6.6278  394.290   10.927 23.76120 12.77984 
1 1 1  -20    8    6 o  672.732   9.1905  3039.62   72.686  3001.27   83.766  3156.51  146.242  664.884   9.2969  680.580   15.857 -15.69543 18.38104 
1 1 1  -20    8    7 o  438.715   6.6229  1287.98   34.638  1267.86   40.179  1346.20   68.351  432.342   6.8579  445.088   11.332 -12.74551 13.24576 
1 1 1  -20    8    8 o  333.494   5.9931  754.190   27.084  754.190   27.084   0.0000   0.0000  333.494   5.9931  ?   ?       ?      ? 
1 1 1  -20    8    9 o  610.367   8.6660  2528.54   71.679  2528.54   71.679   0.0000   0.0000  610.367   8.6660  ?   ?       ?      ? 
1 1 1  -20    8   10 o  299.116   5.3377  587.514   19.351  564.942   22.549  650.593   37.695  288.644   5.7648  309.588   8.9850 -20.94348 10.67537 
1 1 1  -20    8   11 o  622.513   8.6373  2599.99   63.253  2565.66   72.906  2704.48  127.200  614.821   8.7505  630.206   14.894 -15.38531 17.27468 
1 1 1  -20    8   12 o  326.289   5.7000  737.588   22.704  758.557   27.015  687.162   41.893  334.459   5.9604  318.119   9.7178 16.33997 11.40009 
1 1 1  -20    8   13 o  437.021   6.6989  1304.33   35.207  1313.39   41.272  1280.12   67.470  440.031   6.9213  434.011   11.472 6.020142 13.39789 
1 1 1  -20    8   14 o  670.708   9.2044  3019.81   72.539  2980.29   83.564  3140.64  146.113  662.555   9.3071  678.860   15.883 -16.30481 18.40877 
1 1 1  -20    8   15 o  425.416   6.5040  1181.63   32.596  1136.60   37.385  1324.38   66.563  409.355   6.7394  441.477   11.126 -32.12280 13.00807 
1 1 1  -20    8   16 o  393.529   6.2568  1042.76   29.532  1033.18   34.426  1069.47   57.463  390.298   6.5089  396.760   10.687 -6.462555 12.51351 
1 1 1  -20    8   17 o  487.609   7.6818  1619.97   48.418  1630.53   60.158  1600.55   81.583  490.079   9.0582  485.140   12.409 4.939362 15.36367 
1 1 1  -20    8   18 o  477.333   7.0693  1499.49   39.666  1453.52   45.518  1644.61   80.869  462.869   7.2568  491.798   12.134 -28.92844 14.13858 
1 1 1  -20    8   19 o  319.479   7.2070  689.205   30.944  724.290   47.356  663.061   40.879  326.491   10.703  312.467   9.6541 14.02335 14.41400 
1 1 1  -20    8   20 o  394.570   6.6945  1044.12   34.089  1015.54   41.935  1099.80   58.533  386.834   7.9995  402.306   10.737 -15.47177 13.38902 
1 1 1  -20    8   21 o  204.882   5.4382  291.921   14.650  321.953   19.193  250.005   22.675  217.864   6.5011  191.901   8.7195 25.96326 10.87630 
1 1 1  -20    8   22 o  498.920   7.8240  1687.81   50.332  1678.40   62.170  1705.70   85.745  497.150   9.2280  500.689   12.637 -3.539063 15.64801 
1 1 1  -20    8   23 o  254.566   5.5988  436.566   18.199  449.537   31.779  430.236   22.200  257.289   9.1145  251.843   6.5048 5.446213 11.19761 
1 1 1  -20    8   24 o  135.089   6.8963  123.811   12.625  123.811   12.625   0.0000   0.0000  135.089   6.8963  ?   ?       ?      ? 
1 1 1  -20    8   25 o  115.424   6.5489   93.861   9.3902   99.680   11.423   81.735   16.491  121.207   6.9546  109.640   11.099 11.56751 13.09785 
1 1 1  -20    8   26 o  357.812   5.3263  868.996   25.824  858.462   36.587  879.454   36.455  355.647   7.5915  359.978   7.4731 -4.331421 10.65264 
1 1 1  -20    8   27 o  455.089   6.0910  1405.95   37.555  1428.38   53.800  1384.63   52.448  458.623   8.6565  451.554   8.5711 7.068756 12.18192 
1 1 1  -20    8   28 o  130.339   4.7497  114.511   8.3617  126.188   12.424  104.843   11.305  136.373   6.7230  124.305   6.7113 12.06730 9.499475 
1 1 1  -20    8   29 o  197.018   4.5548  262.580   12.143  280.444   17.731  246.803   16.663  203.310   6.4358  190.726   6.4471 12.58412 9.109547 
1 1 1  -20    8   30 o  176.859   4.5958  212.090   11.006  215.624   15.940  208.871   15.214  178.262   6.5984  175.456   6.3989 2.806427 9.191534 
1 1 1  -20    8   31 o  650.458   7.9011  2878.85   69.642  2897.21   99.069  2860.93   97.918  652.500   11.204  648.416   11.144 4.083984 15.80228 
1 1 1  -20    8   32 o  314.110   5.0816  669.710   21.627  671.777   30.888  667.722   30.291  314.581   7.2456  313.639   7.1268 0.9413757 10.16321 
1 1 1  -20    8   33 o  478.316   6.3326  1554.64   41.044  1531.30   57.806  1578.37   58.287  474.691   8.9863  481.940   8.9247 -7.249664 12.66510 
1 1 1  -20    8   34 o  483.664   6.3888  1590.00   41.873  1580.81   59.310  1599.14   59.126  482.263   9.0753  485.065   8.9948 -2.802216 12.77764 
1 1 1  -20    8   35 o  138.914   6.2607  131.986   10.636  129.211   19.820  133.107   12.604  137.789   10.615  140.039   6.6415 -2.250015 12.52138 
1 1 1  -20    8   36 o  615.652   9.3703  2599.32   73.679  2547.60  126.945  2625.59   90.479  610.265   15.350  621.039   10.751 -10.77405 18.74059 
1 1 1  -20    8   37 o  331.315   5.2222  745.533   23.443  741.517   33.387  749.438   32.925  330.428   7.4562  332.203   7.3136 -1.774750 10.44436 
1 1 1  -20    8   38 o  397.960   5.7018  1074.71   30.728  1114.99   44.481  1037.94   42.498  405.078   8.1031  390.843   8.0238 14.23489 11.40358 
1 1 1  -20    8   39 o  357.955   7.7265  870.520   37.479  870.520   37.479   0.0000   0.0000  357.955   7.7265  ?   ?       ?      ? 
1 1 1  -20    8   40 o  516.899   6.7147  1816.77   47.018  1759.92   65.553  1877.01   67.477  508.573   9.5116  525.226   9.4804 -16.65359 13.42940 
1 1 1  -20    8   41 o  183.360   6.0287  229.303   13.954  230.539   16.926  226.679   24.656  184.252   6.7789  182.468   9.9714 1.784576 12.05749 
1 1 1  -20    8   42 o  167.171   6.8356  189.798   15.485  189.798   15.485   0.0000   0.0000  167.171   6.8356  ?   ?       ?      ? 
1 1 1  -20    8   43 o  138.612   5.7230  130.323   10.493  129.244   13.424  132.018   16.823  137.926   7.1822  139.298   8.9122 -1.371902 11.44603 
1 1 1  -20    8   44 o  156.443   5.7241  169.890   11.731  182.109   15.121  151.418   18.593  163.736   6.8148  149.150   9.1989 14.58679 11.44822 
1 1 1  -20    8   45 o  225.950   4.7729  346.990   14.599  328.056   20.607  366.068   20.685  219.744   6.9202  232.156   6.5751 -12.41194 9.545700 
1 1 1  -20    8   46 o  142.030   4.9672  137.266   9.5442  132.939   13.765  141.272   13.245  139.857   7.2631  144.203   6.7778 -4.345383 9.934335 
1 1 1  -20    8   47 o  272.566   4.9700  504.856   18.350  485.487   25.812  524.647   26.092  267.270   7.1266  277.863   6.9292 -10.59326 9.939993 
1 1 1  -20    8   48 o  460.237   6.2672  1441.06   39.070  1482.76   56.284  1402.27   54.277  466.648   8.9005  453.825   8.8257 12.82352 12.53440 
1 1 1  -20    8   49 o  288.059   5.0931  563.966   19.875  569.519   28.538  558.737   27.695  289.426   7.2763  286.692   7.1285 2.733307 10.18628 
1 1 1  -20    8   50 o  116.003   5.5125   91.288   8.6529   96.748   12.654   86.493   11.859  119.249   7.8306  112.757   7.7608 6.492844 11.02490 
1 1 1  -20    8   51 o  155.446   6.8364  164.253   14.401   0.0000   0.0000  164.253   14.401  ?   ?   155.446   6.8364      ?      ? 
1 1 1  -20    8   52 o  187.275   6.7332  238.408   17.088   0.0000   0.0000  238.408   17.088  ?   ?   187.275   6.7332      ?      ? 
1 1 1  -20    8   53 f  387.622   5.7350  1023.12   30.121  1006.34   42.654  1039.81   42.541  384.434   8.1877  390.810   8.0326 -6.376099 11.46996 
1 1 1  -20    8   54 o  303.105   5.2092  625.205   21.392  616.347   30.408  633.886   30.101  300.964   7.4557  305.247   7.2770 -4.282867 10.41833 
1 1 1  -20    8   55 o  427.871   6.0594  1247.62   35.131  1250.67   50.027  1244.65   49.346  428.374   8.6178  427.369   8.5205 1.004639 12.11878 
1 1 1  -20    8   56 o  190.883   5.1030  247.960   13.191  247.109   18.988  248.753   18.339  190.551   7.3535  191.214   7.0772 -0.6638184 10.20593 
1 1 1  -20    8   57 o  127.313   6.9472  108.707   11.379  104.550   13.920  117.079   19.755  123.859   8.2934  130.767   11.148 -6.907448 13.89445 
1 1 1  -20    8   58 o  180.367   4.9954  221.349   12.197  222.227   17.675  220.551   16.852  180.691   7.2186  180.042   6.9071 0.6484985 9.990799 
1 1 1  -20    8   59 o  172.432   5.0481  202.187   11.775  205.676   17.237  199.135   16.122  173.805   7.3186  171.059   6.9550 2.745758 10.09626 
1 1 1  -20    8   60 o  248.903   5.0443  421.264   17.000  434.851   24.658  408.955   23.470  252.712   7.2003  245.094   7.0664 7.617950 10.08851 
1 1 1  -20    8   61 o  172.316   5.1174  201.069   11.908  225.801   17.552  179.978   16.209  182.091   7.1132  162.540   7.3589 19.55174 10.23481 
1 1 1  -20    8   62 o  191.831   5.0409  251.042   13.084  237.672   18.637  264.035   18.373  186.753   7.3643  196.909   6.8855 -10.15601 10.08181 
1 1 1  -20    8   63 o  166.909   5.1062  189.852   11.539  190.368   16.681  189.379   15.980  167.107   7.3663  166.711   7.0732 0.3951416 10.21236 
1 1 1  -20    8   64 o  115.093   6.6652   90.482   10.155   89.616   13.010   91.832   16.246  114.519   8.3835  115.668   10.364 -1.149651 13.33049 
1 1 1  -20    8   65 o  125.751   6.5409  108.763   10.880  110.340   14.005  106.362   17.278  127.063   8.1334  124.439   10.246 2.624207 13.08189 
1 1 1  -20    8   66 o  167.053   6.1333  185.770   12.971  206.058   23.396  176.766   15.586  173.170   9.9697  160.936   7.1468 12.23410 12.26669 
1 1 1  -20    8   67 o  150.861   5.2025  155.967   10.602  147.186   15.321  164.035   14.686  146.714   7.7061  155.009   6.9915 -8.294846 10.40505 
1 1 1  -20    8   68 o   56.882   9.2728   23.605   6.9861   21.387   10.444   25.401   9.3985   54.279   14.079   59.486   12.072 -5.207127 18.54553 
1 1 1  -20    8   69 o  135.161   5.4257  125.668   9.8863  112.310   14.092  138.613   13.873  127.970   8.1264  142.353   7.1914 -14.38333 10.85147 
1 1 1  -20    8   70 o  256.896   6.4917  461.489   20.978  435.968   36.791  473.784   25.536  250.715   10.829  263.076   7.1629 -12.36044 12.98333 
1 1 1  -20    8   71 o  168.985   7.7283  198.897   17.653  183.170   24.981  214.584   24.949  162.123   11.370  175.847   10.470 -13.72356 15.45662 
1 1 1  -20    8   72 o  125.575   6.6748  108.098   11.105  104.322   14.174  114.102   17.871  123.012   8.5028  128.138   10.292 -5.126297 13.34963 
1 1 1  -20    8   73 o  249.508   9.9268  432.845   33.564   0.0000   0.0000  432.845   33.564  ?   ?   249.508   9.9268      ?      ? 
1 1 1  -20    8   74 o  198.439   6.3162  271.627   16.074  268.717   19.734  277.362   27.707  197.588   7.3701  199.290   10.260 -1.701965 12.63238 
1 1 1  -20    8   75 o   63.868   10.205   29.298   8.2100   26.883   9.9790   34.357   14.443   60.472   12.587   67.263   16.066 -6.791889 20.40932 
1 1 1  -20    8   76 o  158.847   5.1254  174.156   11.027  172.796   15.814  175.443   15.384  158.192   7.3769  159.502   7.1176 -1.309952 10.25080 
1 1 1  -20    8   77 o  106.238   5.9532   79.416   8.4464   65.167   12.065   93.112   11.828   96.505   9.2257  115.971   7.5265 -19.46602 11.90631 
1 1 1  -20    8   78 o  105.253   5.9332   77.618   8.4223   71.919   12.193   82.819   11.647  101.362   8.8768  109.145   7.8749 -7.783424 11.86642 
1 1 1  -20    8   79 o   48.197   10.199   18.332   7.3288   11.533   12.661   21.758   8.9878   42.614   16.073   53.780   12.560 -11.16592 20.39794 
1 1 1  -20    8   80 o   60.481   10.807   28.128   8.9950   37.207   13.403   20.687   12.133   69.410   14.707   51.552   15.839 17.85816 21.61367 
1 1 1  -20    8   81 o   87.551   9.4563   58.883   10.458   40.636   14.862   76.776   14.718   71.707   15.727  103.395   10.504 -31.68816 18.91269 
1 1 1  -20    8   82 o   82.992   9.0903   51.301   9.8881   61.684   14.559   42.413   13.472   91.812   11.702   74.173   13.914 17.63840 18.18056 
1 1 1  -20    8   83 o   33.821   14.355   3.0544   11.444   3.0544   11.444   0.0000   0.0000   33.821   14.355  ?   ?       ?      ? 
1 1 1  -20    8   84 o   36.181   14.783   6.2260   11.486   6.2260   11.486   0.0000   0.0000   36.181   14.783  ?   ?       ?      ? 
1 1 1  -20    9    1 o  795.850   9.3460  4297.24  100.575  4595.79  148.299  4042.98  136.859  821.305   13.324  770.395   13.109 50.91058 18.69207 
1 1 1  -20    9    2 o  326.904   6.4089  723.073   26.384  733.618   47.139  718.262   31.838  328.482   10.590  325.325   7.2219 3.157074 12.81786 
1 1 1  -20    9    3 o  364.025   5.3558  899.379   26.419  894.129   37.148  904.752   37.580  362.952   7.5528  365.098   7.5956 -2.146240 10.71160 
1 1 1  -20    9    4 o  628.275   7.6744  2683.99   65.339  2692.60   92.428  2675.40   92.380  629.285   10.839  627.265   10.868 2.019226 15.34880 
1 1 1  -20    9    5 o  180.882   5.0424  224.048   12.119  233.351   15.855  210.972   18.797  185.469   6.3083  176.294   7.8681 9.175461 10.08475 
1 1 1  -20    9    6 o  352.025   5.8151  829.082   24.777  814.547   28.983  868.549   47.758  346.528   6.1719  357.521   9.8575 -10.99289 11.63021 
1 1 1  -20    9    7 o  252.438   5.5141  432.164   18.863  432.164   18.863   0.0000   0.0000  252.438   5.5141  ?   ?       ?      ? 
1 1 1  -20    9    8 o  570.330   8.2518  2208.33   63.776  2208.33   63.776   0.0000   0.0000  570.330   8.2518  ?   ?       ?      ? 
1 1 1  -20    9    9 o  374.459   6.0578  951.187   27.418  950.080   32.172  954.126   52.410  374.240   6.3436  374.677   10.322 -0.4365234 12.11568 
1 1 1  -20    9   10 o  328.587   5.5959  715.814   22.228  696.056   25.922  770.707   43.206  320.348   5.9712  336.826   9.4657 -16.47842 11.19175 
1 1 1  -20    9   11 o  378.126   6.1020  972.201   27.911  973.831   32.790  967.912   53.182  378.886   6.3863  377.365   10.400 1.521027 12.20407 
1 1 1  -20    9   12 o  569.019   8.0530  2172.36   54.108  2142.14   62.477  2263.03  108.227  561.724   8.2075  576.315   13.858 -14.59100 16.10591 
1 1 1  -20    9   13 o  244.223   5.0374  405.210   15.240  405.910   18.189  403.559   27.917  244.652   5.4862  243.795   8.4501 0.8563385 10.07482 
1 1 1  -20    9   14 o  326.497   5.7569  746.393   23.048  780.176   27.640  669.287   41.757  339.148   6.0141  313.845   9.8183 25.30264 11.51383 
1 1 1  -20    9   15 o  184.120   4.8707  232.441   11.342  236.943   13.830  223.193   19.823  186.919   5.4597  181.320   8.0676 5.599442 9.741385 
1 1 1  -20    9   16 o  606.534   8.5886  2575.20   63.073  2670.59   74.861  2341.79  117.099  627.080   8.8094  585.989   14.746 41.09149 17.17720 
1 1 1  -20    9   17 o  352.058   6.4077  853.451   29.709  896.021   38.334  789.435   47.009  363.316   7.7861  340.801   10.179 22.51434 12.81531 
1 1 1  -20    9   18 o  341.921   9.9233  794.542   45.980   0.0000   0.0000  794.542   45.980  ?   ?   341.921   9.9233      ?      ? 
1 1 1  -20    9   19 o  803.560   10.801  4374.70  101.970  4342.46  117.646  4472.09  204.459  799.086   10.864  808.034   18.672 -8.948181 21.60277 
1 1 1  -20    9   20 o  708.859   9.7194  3428.08   81.678  3431.36   94.865  3418.69  160.587  710.541   9.8522  707.177   16.757 3.364258 19.43878 
1 1 1  -20    9   21 o  538.000   7.7753  1948.30   49.535  1926.95   57.322  2011.25   98.434  532.742   7.9401  543.258   13.371 -10.51581 15.55058 
1 1 1  -20    9   22 o  187.505   4.8799  236.007   11.479  231.874   13.771  245.414   20.778  184.899   5.4961  190.112   8.0650 -5.212891 9.759718 
1 1 1  -20    9   23 o  219.202   5.5020  325.900   16.344  325.900   16.344   0.0000   0.0000  219.202   5.5020  ?   ?       ?      ? 
1 1 1  -20    9   24 o  187.842   5.4768  239.324   13.941  239.324   13.941   0.0000   0.0000  187.842   5.4768  ?   ?       ?      ? 
1 1 1  -20    9   25 o  181.013   5.1781  233.369   11.647  253.498   14.280  193.367   20.131  193.323   5.4509  168.703   8.8057 24.62003 10.35630 
1 1 1  -20    9   26 o  511.158   6.5904  1773.76   45.621  1836.81   65.987  1716.02   63.143  519.841   9.3670  502.474   9.2732 17.36667 13.18084 
1 1 1  -20    9   27 o   80.387   6.1755   45.982   6.3981   31.501   9.4258   58.354   8.7128   68.053   10.221   92.720   6.9342 -24.66691 12.35105 
1 1 1  -20    9   28 o  400.728   5.6673  1090.63   30.771  1064.55   43.323  1117.19   43.713  395.886   8.0755  405.571   7.9536 -9.684753 11.33458 
1 1 1  -20    9   29 o  206.807   4.6141  290.612   12.915  281.222   18.541  299.461   17.999  203.548   6.7218  210.066   6.3228 -6.518066 9.228211 
1 1 1  -20    9   30 o  411.881   5.7699  1152.21   32.198  1166.75   46.116  1138.38   44.975  414.409   8.2118  409.354   8.1075 5.054352 11.53972 
1 1 1  -20    9   31 o  381.591   5.5465  988.655   28.671  950.959   40.119  1028.00   40.988  374.152   7.9126  389.030   7.7748 -14.87790 11.09307 
1 1 1  -20    9   32 o  591.634   7.3572  2382.50   58.984  2384.44   83.711  2380.58   83.125  591.865   10.437  591.403   10.372 0.4624634 14.71431 
1 1 1  -20    9   33 o  176.196   4.6449  211.358   11.057  195.729   15.813  226.310   15.467  169.788   6.8726  182.603   6.2504 -12.81512 9.289751 
1 1 1  -20    9   34 o  252.249   5.9848  434.687   18.934  426.730   33.798  438.326   22.857  250.404   9.9602  254.095   6.6381 -3.690872 11.96956 
1 1 1  -20    9   35 o  198.476   4.6690  267.931   12.534  252.316   17.881  283.018   17.576  192.765   6.8449  204.187   6.3519 -11.42195 9.338082 
1 1 1  -20    9   36 o  128.430   7.0931  112.027   12.345  112.027   12.345   0.0000   0.0000  128.430   7.0931  ?   ?       ?      ? 
1 1 1  -20    9   37 o  297.863   5.0094  602.733   20.217  592.457   28.677  612.888   28.506  295.330   7.1654  300.396   7.0025 -5.066010 10.01889 
1 1 1  -20    9   38 o  231.631   5.7232  374.519   17.284  407.541   22.249  324.261   27.448  244.973   6.7022  218.288   9.2791 26.68466 11.44646 
1 1 1  -20    9   39 o  356.465   6.5568  876.811   30.375  909.992   38.322  820.729   49.821  365.905   7.7285  347.024   10.594 18.88165 13.11360 
1 1 1  -20    9   40 o  182.554   6.8895  226.383   17.044  226.383   17.044   0.0000   0.0000  182.554   6.8895  ?   ?       ?      ? 
1 1 1  -20    9   41 o  378.841   5.5940  975.584   28.711  943.917   40.288  1008.26   40.926  372.585   7.9793  385.098   7.8423 -12.51297 11.18800 
1 1 1  -20    9   42 o  322.663   5.2197  707.248   22.815  721.051   32.814  694.333   31.743  325.702   7.4346  319.625   7.3286 6.077057 10.43939 
1 1 1  -20    9   43 o  146.413   4.9277  146.327   9.7250  130.389   13.860  161.782   13.649  138.498   7.3849  154.327   6.5263 -15.82909 9.855403 
1 1 1  -20    9   44 o   70.443   7.0857   33.677   6.7487   36.344   9.9477   31.404   9.1859   73.013   10.054   67.872   9.9872 5.140808 14.17133 
1 1 1  -20    9   45 o  182.802   4.8014  227.273   11.882  221.750   17.065  232.469   16.554  180.630   6.9715  184.973   6.6040 -4.343094 9.602861 
1 1 1  -20    9   46 o  216.167   4.8060  317.579   14.071  317.263   20.231  317.875   19.583  216.052   6.9099  216.283   6.6817 -0.2302399 9.612079 
1 1 1  -20    9   47 o  161.002   4.9229  176.263   10.726  175.185   15.561  177.239   14.804  160.519   7.1538  161.486   6.7648 -0.9672546 9.845743 
1 1 1  -20    9   48 o  362.606   6.7227  877.404   30.769  948.752   55.531  845.795   36.962  372.635   10.997  352.578   7.7359 20.05661 13.44531 
1 1 1  -20    9   49 o  168.328   6.1323  192.476   12.857  194.403   23.398  191.643   15.388  168.753   10.231  167.903   6.7630 0.8500061 12.26464 
1 1 1  -20    9   50 o  248.280   6.2273  432.525   19.468  384.888   33.554  456.700   23.903  237.383   10.431  259.177   6.8058 -21.79373 12.45468 
1 1 1  -20    9   51 o  174.716   4.9060  207.781   11.600  203.386   16.738  211.842   16.091  172.918   7.1430  176.515   6.7272 -3.596558 9.812098 
1 1 1  -20    9   52 o  192.380   4.9056  251.260   12.772  260.360   18.649  243.222   17.528  195.644   7.0342  189.115   6.8396 6.528839 9.811275 
1 1 1  -20    9   53 o   56.227   9.5554   22.246   7.1268   25.220   11.025   20.111   9.3409   59.378   13.940   53.076   13.073 6.302399 19.11086 
1 1 1  -20    9   54 o  138.327   5.4209  131.217   10.082  120.373   14.810  140.583   13.764  132.912   8.2228  143.743   7.0661 -10.83109 10.84177 
1 1 1  -20    9   55 o  200.933   6.2490  278.449   16.079  285.074   19.870  265.882   27.367  204.665   7.1644  197.202   10.241 7.462372 12.49795 
1 1 1  -20    9   56 o   84.018   9.0136   50.476   9.2716   52.891   11.383   45.714   15.983   87.994   9.5457   80.042   15.292 7.951607 18.02716 
1 1 1  -20    9   57 f  270.836   5.1039  498.948   18.721  513.029   27.047  485.997   25.939  274.491   7.2712  267.181   7.1643 7.310364 10.20775 
1 1 1  -20    9   58 o  128.378   5.5974  112.929   9.6870  103.098   13.985  121.996   13.431  122.931   8.3949  133.825   7.4059 -10.89405 11.19476 
1 1 1  -20    9   59 f  310.009   5.3106  651.445   22.250  710.917   32.895  601.283   30.210  322.981   7.5156  297.037   7.5052 25.94397 10.62129 
1 1 1  -20    9   60 o  147.769   5.2658  147.958   10.513  161.699   15.598  136.520   14.231  154.015   7.4737  141.523   7.4202 12.49222 10.53164 
1 1 1  -20    9   61 o  215.465   4.9959  316.762   14.569  302.714   20.781  330.340   20.431  210.723   7.2774  220.206   6.8466 -9.482559 9.991839 
1 1 1  -20    9   62 o  279.622   6.2834  546.755   22.950  586.400   29.479  485.747   36.569  293.186   7.4197  266.058   10.143 27.12836 12.56684 
1 1 1  -20    9   63 o  195.682   5.9488  263.876   15.288  270.316   19.501  253.606   24.626  199.043   7.2297  192.320   9.4490 6.722534 11.89754 
1 1 1  -20    9   64 f  180.299   5.1819  223.087   12.595  206.072   18.282  238.460   17.377  173.636   7.7697  186.963   6.8586 -13.32655 10.36382 
1 1 1  -20    9   65 o  150.662   6.4816  156.214   12.245  154.805   21.890  156.856   14.772  149.788   10.784  151.535   7.1937 -1.746613 12.96318 
1 1 1  -20    9   66 o  135.331   5.4241  124.605   9.9161  138.587   14.642  112.759   13.477  142.316   7.5921  128.346   7.7489 13.97072 10.84826 
1 1 1  -20    9   67 o   47.645   9.7765   16.392   6.7946   12.525   10.051   19.645   9.2206   43.261   14.526   52.030   13.089 -8.769810 19.55308 
1 1 1  -20    9   68 o   70.663   10.932   35.976   9.9629   40.239   16.149   33.356   12.659   73.711   16.570   67.614   14.264 6.097076 21.86424 
1 1 1  -20    9   69 o  115.118   7.2030   91.483   10.243   92.766   18.882   90.948   12.193  115.156   12.100  115.080   7.8186 0.7566833E-01 14.40592 
1 1 1  -20    9   70 o   91.667   7.8927   56.033   9.4236   49.818   11.573   68.261   16.234   84.710   10.082   98.624   12.147 -13.91428 15.78545 
1 1 1  -20    9   71 o  123.105   5.4881  103.835   9.1337  113.360   13.441   95.662   12.450  128.334   7.7285  117.876   7.7941 10.45799 10.97623 
1 1 1  -20    9   72 o  136.749   5.3293  129.208   9.8414  121.738   14.239  136.040   13.617  132.840   7.9101  140.658   7.1439 -7.818268 10.65859 
1 1 1  -20    9   73 o  102.217   5.9061   72.505   8.1639   68.594   11.690   76.227   11.406   99.434   8.6756  105.000   8.0163 -5.566078 11.81213 
1 1 1  -20    9   74 o  139.230   5.2631  133.698   9.9164  137.097   14.476  130.693   13.612  140.845   7.5844  137.615   7.2990 3.229446 10.52614 
1 1 1  -20    9   75 o  101.486   6.0172   72.849   8.1055   57.446   11.623   87.432   11.309   90.548   9.4723  112.425   7.4232 -21.87679 12.03442 
1 1 1  -20    9   76 o   84.753   6.4981   50.874   7.3769   43.570   10.646   57.619   10.231   78.579   9.9980   90.927   8.3032 -12.34808 12.99630 
1 1 1  -20    9   77 o   80.336   8.3805   47.027   8.2638   46.847   14.501   47.114   10.056   78.790   14.099   81.882   9.0630 -3.092346 16.76106 
1 1 1  -20    9   78 o  108.429   7.8730   83.304   11.434  103.095   17.216   67.685   15.294  120.093   10.578   96.765   11.663 23.32771 15.74600 
1 1 1  -20    9   79 o   74.505   9.8784   41.587   9.6785   53.703   14.447   31.723   13.036   85.557   12.461   63.453   15.332 22.10423 19.75682 
1 1 1  -20    9   80 f   49.677   16.246   19.373   12.595   19.373   12.595   0.0000   0.0000   49.677   16.246  ?   ?       ?      ? 
1 1 1  -20    9   81 o  108.916   11.421   86.799   16.857   86.799   16.857   0.0000   0.0000  108.916   11.421  ?   ?       ?      ? 
1 1 1  -20    9   82 o   53.933   16.380   23.833   13.026   23.833   13.026   0.0000   0.0000   53.933   16.380  ?   ?       ?      ? 
1 1 1  -20    9   83 o  121.598   11.136  108.686   18.351  108.686   18.351   0.0000   0.0000  121.598   11.136  ?   ?       ?      ? 
1 1 1  -20   10    1 o  192.256   4.4032  250.849   11.465  262.135   16.284  239.756   16.144  196.550   6.1138  187.962   6.3382 8.587448 8.806307 
1 1 1  -20   10    2 o  279.757   4.7897  531.239   18.157  532.880   25.578  529.572   25.780  280.196   6.7364  279.319   6.8108 0.8763123 9.579436 
1 1 1  -20   10    3 o  175.937   4.4562  210.070   10.620  202.806   14.975  217.421   15.064  172.873   6.3925  179.002   6.2102 -6.128357 8.912351 
1 1 1  -20   10    4 o  417.067   5.7757  1181.52   32.643  1177.99   45.972  1185.10   46.358  416.442   8.1462  417.692   8.1900 -1.250122 11.55148 
1 1 1  -20   10    5 o  188.262   6.0768  239.111   13.763  237.146   16.076  244.502   26.630  186.942   6.3459  189.582   10.365 -2.640656 12.15361 
1 1 1  -20   10    6 o  147.547   5.3323  147.663   10.662  147.663   10.662   0.0000   0.0000  147.547   5.3323  ?   ?       ?      ? 
1 1 1  -20   10    7 o  346.739   5.7565  792.622   23.907  766.795   27.699  868.050   47.337  336.177   6.0801  357.300   9.7766 -21.12314 11.51303 
1 1 1  -20   10    8 o  233.215   4.9503  368.336   14.281  367.112   17.005  371.265   26.303  232.644   5.3940  233.786   8.3023 -1.141617 9.900665 
1 1 1  -20   10    9 o  234.340   5.0093  377.851   14.528  385.566   17.414  360.182   26.353  238.420   5.3897  230.260   8.4454 8.159576 10.01868 
1 1 1  -20   10   10 o   91.630   5.1716   57.253   6.2581   58.160   8.0329   55.851   9.9820   92.579   6.4029   90.681   8.1230 1.897690 10.34314 
1 1 1  -20   10   11 o  244.756   4.9951  396.836   15.099  383.571   17.835  430.399   28.370  237.795   5.5346  251.716   8.3169 -13.92061 9.990143 
1 1 1  -20   10   12 o  228.901   5.0605  366.464   14.393  384.523   17.443  327.946   25.474  238.096   5.4062  219.706   8.5562 18.38988 10.12103 
1 1 1  -20   10   13 o  335.100   5.7356  761.416   23.357  759.807   27.492  765.592   44.283  334.643   6.0623  335.556   9.7384 -0.9135742 11.47116 
1 1 1  -20   10   14 o  146.801   4.7662  147.696   8.9545  150.749   11.046  141.845   15.293  149.077   5.4678  144.524   7.8084 4.552948 9.532481 
1 1 1  -20   10   15 o  191.652   4.8272  249.973   11.653  251.126   14.104  247.491   20.687  192.412   5.4090  190.892   7.9970 1.520874 9.654480 
1 1 1  -20   10   16 o  409.337   6.9080  1141.70   36.951  1148.23   46.541  1130.55   60.776  411.122   8.3538  407.553   11.004 3.569153 13.81609 
1 1 1  -20   10   17 o  173.788   4.8918  209.411   10.764  218.094   13.219  192.325   18.542  179.309   5.4401  168.267   8.1318 11.04240 9.783679 
1 1 1  -20   10   18 f  272.680   5.2897  507.897   17.752  512.167   21.126  497.638   32.742  274.766   5.6738  270.594   8.9292 4.171295 10.57933 
1 1 1  -20   10   19 o  199.245   4.8364  266.031   12.104  260.500   14.524  278.601   21.895  195.964   5.4694  202.526   7.9779 -6.562042 9.672708 
1 1 1  -20   10   20 f  236.774   5.0689  379.811   14.904  378.600   17.799  382.652   27.262  236.239   5.5598  237.309   8.4772 -1.070358 10.13781 
1 1 1  -20   10   21 o  400.265   6.4007  1099.55   31.026  1112.78   36.575  1065.61   58.595  404.896   6.6658  395.633   10.929 9.263672 12.80146 
1 1 1  -20   10   22 o  167.562   5.6092  190.483   12.737  190.483   12.737   0.0000   0.0000  167.562   5.6092  ?   ?       ?      ? 
1 1 1  -20   10   23 o  612.994   8.5970  2496.57   61.496  2436.20   70.428  2690.28  126.164  598.701   8.6807  627.288   14.842 -28.58771 17.19398 
1 1 1  -20   10   24 o  134.973   5.0233  124.027   8.7212  124.754   10.774  122.646   14.853  135.593   5.8635  134.353   8.1580 1.240173 10.04658 
1 1 1  -20   10   25 o  195.236   4.9688  259.870   12.147  261.605   14.637  256.030   21.771  196.367   5.5003  194.105   8.2767 2.261642 9.937681 
1 1 1  -20   10   26 f  108.091   5.3855   81.228   7.5224   86.237   9.4918   72.771   12.335  112.721   6.2138  103.460   8.7978 9.260948 10.77093 
1 1 1  -20   10   27 o  365.976   6.1684  930.976   27.507  958.979   32.711  863.365   50.829  375.865   6.4222  356.087   10.533 19.77789 12.33689 
1 1 1  -20   10   28 o  287.546   5.4317  551.017   19.099  537.438   22.451  586.581   36.334  281.415   5.8871  293.677   9.1299 -12.26184 10.86340 
1 1 1  -20   10   29 o  198.538   4.5674  268.142   12.263  254.957   17.617  280.538   17.081  193.778   6.7087  203.298   6.2000 -9.519852 9.134892 
1 1 1  -20   10   30 o  131.223   4.7654  116.998   8.4383  116.118   12.497  117.736   11.440  130.756   7.0526  131.691   6.4106 -0.9348755 9.530774 
1 1 1  -20   10   31 o  238.919   4.6912  385.329   15.144  423.057   22.424  353.690   20.535  249.609   6.6292  228.229   6.6394 21.38020 9.382370 
1 1 1  -20   10   32 o  149.464   6.5017  148.152   12.947  173.142   20.760  132.245   16.563  159.489   9.6052  139.439   8.7652 20.04951 13.00338 
1 1 1  -20   10   33 o   53.637   10.504   20.209   7.5883   19.689   13.303   20.460   9.2388   53.612   16.604   53.662   12.870 -0.4941177E-01 21.00783 
1 1 1  -20   10   34 o  295.132   5.8938  579.890   22.556  551.644   27.784  634.495   38.631  284.948   7.1952  305.316   9.3370 -20.36789 11.78769 
1 1 1  -20   10   35 o   74.689   7.2537   38.010   7.3166   37.994   9.9452   38.028   10.803   74.689   9.8258   74.688   10.673 0.1724243E-02 14.50737 
1 1 1  -20   10   36 o  296.357   5.0168  596.890   20.142  588.568   28.692  604.977   28.283  294.308   7.1941  298.406   6.9941 -4.097839 10.03357 
1 1 1  -20   10   37 o  149.641   4.8052  152.601   9.7130  142.999   13.996  161.521   13.490  145.067   7.1197  154.214   6.4553 -9.147842 9.610427 
1 1 1  -20   10   38 o  307.101   6.4232  646.548   25.089  655.278   30.708  629.022   43.510  310.501   7.2980  303.701   10.572 6.800507 12.84644 
1 1 1  -20   10   39 o  203.755   6.0416  283.682   15.526  285.720   18.828  279.352   27.447  205.067   6.7753  202.442   10.005 2.625702 12.08311 
1 1 1  -20   10   40 o   76.341   6.5707   39.185   6.7534   45.018   10.253   34.714   8.9757   81.295   9.3066   71.388   9.2782 9.906601 13.14143 
1 1 1  -20   10   41 o  126.666   5.1536  108.646   8.8193  114.426   13.103  103.858   11.925  129.725   7.4533  123.608   7.1193 6.116913 10.30710 
1 1 1  -20   10   42 o  421.548   5.9432  1205.52   33.891  1283.53   49.733  1137.89   46.309  434.227   8.4517  408.870   8.3579 25.35672 11.88640 
1 1 1  -20   10   43 o  327.569   5.2911  729.734   23.479  731.245   33.681  728.306   32.746  327.883   7.5803  327.255   7.3839 0.6273499 10.58223 
1 1 1  -20   10   44 o  142.322   6.3105  141.946   11.136  127.935   19.810  148.420   13.465  136.872   10.681  147.772   6.7242 -10.90021 12.62098 
1 1 1  -20   10   45 o  268.657   6.0898  490.289   20.731  495.401   36.562  487.867   25.169  269.438   10.014  267.876   6.9333 1.562744 12.17961 
1 1 1  -20   10   46 o  244.267   4.9740  401.695   16.381  450.100   24.700  363.692   21.886  257.266   7.0849  231.269   6.9833 25.99701 9.947998 
1 1 1  -20   10   47 o  240.130   4.9024  392.104   15.941  392.421   23.002  391.812   22.111  240.207   7.0665  240.054   6.7970 0.1529388 9.804797 
1 1 1  -20   10   48 o  232.100   6.0169  360.182   17.514  385.161   31.911  349.414   20.952  237.519   9.9142  226.680   6.8208 10.83934 12.03388 
1 1 1  -20   10   49 o   86.289   8.6658   54.539   8.6385   45.772   15.985   58.155   10.267   80.181   15.269   92.397   8.1997 -12.21664 17.33155 
1 1 1  -20   10   50 o  181.452   4.9889  223.829   12.244  226.624   17.927  221.385   16.762  182.492   7.2492  180.411   6.8562 2.080872 9.977869 
1 1 1  -20   10   51 o  125.586   5.4982  107.361   9.2953  107.832   13.985  106.988   12.441  125.797   8.2036  125.376   7.3226 0.4215469 10.99634 
1 1 1  -20   10   52 o  239.232   4.9715  389.784   16.090  362.554   22.696  417.295   22.813  230.792   7.2569  247.672   6.7970 -16.88000 9.942962 
1 1 1  -20   10   53 o   81.631   6.8486   44.806   7.5143   53.020   11.460   38.611   9.9526   88.096   9.5992   75.167   9.7708 12.92900 13.69717 
1 1 1  -20   10   54 o  188.878   6.2509  246.092   15.157  251.968   18.782  235.120   25.667  192.375   7.2046  185.381   10.217 6.993484 12.50171 
1 1 1  -20   10   55 o  199.189   4.9473  269.771   13.337  276.597   19.446  263.708   18.328  201.548   7.1197  196.829   6.8712 4.718994 9.894597 
1 1 1  -20   10   56 o  162.674   5.1004  179.641   11.216  188.742   16.584  171.969   15.226  166.442   7.3527  158.907   7.0706 7.534637 10.20070 
1 1 1  -20   10   57 o  135.247   5.3768  125.048   9.8016  121.129   14.504  128.342   13.297  133.243   8.0328  137.251   7.1494 -4.008469 10.75355 
1 1 1  -20   10   58 o  139.394   5.3168  132.015   10.009  138.234   14.900  126.902   13.512  142.350   7.7242  136.439   7.3081 5.911209 10.63354 
1 1 1  -20   10   59 o  203.636   5.8710  284.020   15.684  286.144   19.879  280.517   25.526  204.864   7.1604  202.408   9.3061 2.456375 11.74201 
1 1 1  -20   10   60 o  129.009   6.2476  109.539   10.684   93.590   13.501  136.261   17.475  116.975   8.5169  141.044   9.1429 -24.06878 12.49515 
1 1 1  -20   10   61 o  160.647   5.1526  176.548   11.185  170.134   16.262  182.306   15.409  157.819   7.6037  163.475   6.9557 -5.655579 10.30527 
1 1 1  -20   10   62 o   92.041   6.5625   58.448   8.1004   55.876   12.214   60.468   10.823   90.128   10.000   93.954   8.5009 -3.825912 13.12505 
1 1 1  -20   10   63 o  179.520   7.0185  219.766   16.897  236.332   26.189  207.952   22.116  185.107   10.440  173.933   9.3828 11.17485 14.03694 
1 1 1  -20   10   64 o  152.800   11.246  161.764   23.287  161.764   23.287   0.0000   0.0000  152.800   11.246  ?   ?       ?      ? 
1 1 1  -20   10   65 o  115.771   5.8276   93.446   8.9873   81.365   13.420  103.271   12.102  108.713   9.1095  122.829   7.2705 -14.11622 11.65518 
1 1 1  -20   10   66 o   33.593   10.263  -0.5401   7.2316   4.1021   15.253  -1.8860   8.2132   40.519   16.842   26.667   11.733 13.85238 20.52645 
1 1 1  -20   10   67 o   79.477   9.7959   52.021   8.6022   32.818   16.386   59.326   10.107   66.066   17.871   92.889   8.0292 -26.82354 19.59180 
1 1 1  -20   10   68 o   94.129   7.9026   61.091   9.6783   59.058   12.022   64.836   16.315   92.303   9.6111   95.955   12.547 -3.651733 15.80520 
1 1 1  -20   10   69 o   99.349   7.4817   67.418   9.7025   63.594   12.046   74.481   16.371   95.763   9.2825  102.934   11.736 -7.170570 14.96337 
1 1 1  -20   10   70 o   75.806   7.0591   39.798   7.2230   43.510   10.816   36.811   9.7043   78.945   10.110   72.667   9.8547 6.277657 14.11822 
1 1 1  -20   10   71 o   80.657   6.7441   45.333   7.3419   45.882   10.905   44.878   9.9294   81.005   9.9341   80.309   9.1239 0.6957932 13.48821 
1 1 1  -20   10   72 o  100.122   5.9422   69.950   8.0098   65.970   11.803   73.349   10.905   97.305   8.9512  102.940   7.8175 -5.634460 11.88430 
1 1 1  -20   10   73 o  111.114   5.6714   86.417   8.4636   75.759   12.214   96.263   11.739  104.252   8.6453  117.976   7.3428 -13.72439 11.34274 
1 1 1  -20   10   74 o   56.939   8.5925   23.970   6.4148   25.904   9.4782   22.334   8.7137   59.061   12.244   54.816   12.058 4.244793 17.18491 
1 1 1  -20   10   75 o   79.709   6.5704   44.717   7.0925   45.366   10.244   44.118   9.8297   80.222   9.4227   79.196   9.1592 1.026306 13.14070 
1 1 1  -20   10   76 o  114.631   6.9792   95.724   10.007   86.361   17.407  100.347   12.231  109.230   11.760  120.032   7.5192 -10.80201 13.95830 
1 1 1  -20   10   77 o   70.031   10.224   37.671   9.3612   42.088   13.882   33.987   12.677   73.908   14.378   66.154   14.538 7.754105 20.44715 
1 1 1  -20   10   78 o   46.270   11.030   15.999   8.1640   19.233   12.382   13.511   10.858   49.516   16.104   43.024   15.077 6.492035 22.05999 
1 1 1  -20   10   79 o   76.439   9.5674   44.791   9.5734   42.069   14.346   46.976   12.854   72.985   15.006   79.894   11.873 -6.909073 19.13486 
1 1 1  -20   10   80 o   97.581   8.2365   70.665   10.767   65.734   16.069   74.683   14.505   93.766   12.646  101.396   10.557 -7.629898 16.47301 
1 1 1  -20   10   81 o   40.413   15.985   10.100   12.971   10.100   12.971   0.0000   0.0000   40.413   15.985  ?   ?       ?      ? 
1 1 1  -20   11    1 o  229.507   4.5781  357.506   14.236  352.033   19.929  363.210   20.345  227.714   6.4581  231.299   6.4907 -3.584351 9.156224 
1 1 1  -20   11    2 o  194.505   4.4854  256.818   11.823  258.721   16.732  254.920   16.707  195.225   6.3246  193.784   6.3621 1.441620 8.970860 
1 1 1  -20   11    3 o  106.146   8.5962   77.236   12.295   81.479   16.827   72.375   18.008  109.336   11.357  102.957   12.907 6.378181 17.19233 
1 1 1  -20   11    4 o  117.965   8.2387   93.538   13.053   78.225   17.424  113.121   19.704  107.095   12.006  128.835   11.286 -21.74000 16.47749 
1 1 1  -20   11    5 o  163.637   4.4825  181.754   9.9397  182.982   14.123  180.549   13.992  164.184   6.3475  163.090   6.3309 1.094131 8.965040 
1 1 1  -20   11    6 o  197.107   4.5596  263.742   12.179  264.953   17.194  262.522   17.253  197.562   6.4223  196.651   6.4741 0.9117584 9.119214 
1 1 1  -20   11    7 o  262.693   5.1840  465.828   16.679  462.033   19.703  475.427   31.332  260.950   5.5719  264.436   8.7435 -3.486023 10.36796 
1 1 1  -20   11    8 o  302.038   5.4561  610.518   19.974  599.422   23.381  640.484   38.423  297.209   5.8052  306.866   9.2399 -9.656525 10.91215 
1 1 1  -20   11    9 o   92.262   5.2994   56.712   6.4838   52.808   8.2384   63.065   10.510   88.189   6.8936   96.336   8.0506 -8.147133 10.59881 
1 1 1  -20   11   10 o  556.509   7.9805  2101.04   52.719  2091.05   61.184  2129.86  103.877  554.706   8.1394  558.312   13.730 -3.605652 15.96101 
1 1 1  -20   11   11 o   95.106   5.6532   63.965   6.9045   71.081   8.7948   52.533   11.147  102.332   6.3421   87.880   9.3601 14.45181 11.30639 
1 1 1  -20   11   12 o  302.438   5.5122  622.507   20.343  623.892   24.035  619.009   38.200  303.211   5.8495  301.664   9.3445 1.547302 11.02435 
1 1 1  -20   11   13 o  253.775   5.1979  441.940   16.296  448.626   19.481  426.357   29.742  257.135   5.5907  250.416   8.7645 6.719147 10.39579 
1 1 1  -20   11   14 o  207.132   5.3397  285.635   14.757  260.524   18.971  324.119   23.485  195.861   7.1475  218.403   7.9350 -22.54276 10.67949 
1 1 1  -20   11   15 o  162.450   4.8924  181.483   10.068  185.846   12.310  172.669   17.497  165.502   5.4889  159.399   8.1003 6.103302 9.784802 
1 1 1  -20   11   16 o  129.525   4.9002  114.407   8.1970  115.547   10.183  112.309   13.815  130.489   5.7587  128.561   7.9299 1.928146 9.800328 
1 1 1  -20   11   17 o   95.820   5.2106   61.646   6.6046   59.211   8.3933   65.605   10.703   93.387   6.6323   98.253   8.0383 -4.866165 10.42119 
1 1 1  -20   11   18 o  196.559   4.8701  260.870   12.020  258.434   14.460  266.318   21.624  195.163   5.4676  197.956   8.0608 -2.793640 9.740183 
1 1 1  -20   11   19 o  224.098   4.9855  333.383   13.910  322.228   16.529  360.461   25.751  217.915   5.5971  230.282   8.2519 -12.36708 9.971073 
1 1 1  -20   11   20 o  299.843   5.8990  610.180   23.969  610.180   23.969   0.0000   0.0000  299.843   5.8990  ?   ?       ?      ? 
1 1 1  -20   11   21 o  357.734   6.1179  894.671   26.740  929.633   31.937  812.689   48.905  370.047   6.3687  345.421   10.448 24.62506 12.23582 
1 1 1  -20   11   22 o  462.803   6.9686  1407.40   37.972  1358.59   43.577  1561.40   77.399  447.220   7.1903  478.386   11.939 -31.16541 13.93718 
1 1 1  -20   11   23 o  116.535   5.1307   90.314   7.8676   84.655   9.8679  100.189   13.035  111.659   6.5215  121.412   7.9225 -9.752983 10.26136 
1 1 1  -20   11   24 o  180.237   5.1881  218.688   12.401  211.322   15.855  230.297   19.905  176.408   6.6322  184.067   7.9799 -7.658859 10.37614 
1 1 1  -20   11   25 o  357.553   6.4275  879.008   29.961  905.100   37.865  835.314   48.999  364.942   7.6565  350.164   10.326 14.77838 12.85496 
1 1 1  -20   11   26 o  228.852   5.4510  358.598   16.413  367.503   20.990  344.587   26.330  232.624   6.6585  225.079   8.6323 7.545486 10.90196 
1 1 1  -20   11   27 o  111.748   5.5266   84.836   8.3087   84.479   11.093   85.292   12.541  111.502   7.3412  111.994   8.2632 -0.4925919 11.05319 
1 1 1  -20   11   28 o   93.834   5.8463   59.949   7.4030   60.687   10.055   59.075   10.939   94.483   7.8535   93.186   8.6627 1.297165 11.69269 
1 1 1  -20   11   29 o   91.503   5.8597   58.279   6.9763   62.386   8.9034   51.746   11.228   95.831   6.8559   87.174   9.5047 8.656914 11.71931 
1 1 1  -20   11   30 o   87.431   6.9438   52.176   8.1003   64.669   11.742   40.832   11.189   97.479   8.8890   77.383   10.670 20.09621 13.88751 
1 1 1  -20   11   31 o  199.495   5.5543  270.267   14.833  268.426   19.483  272.805   22.877  198.741   7.2339  200.248   8.4304 -1.507675 11.10866 
1 1 1  -20   11   32 o  180.332   4.6452  221.856   11.297  199.638   16.134  243.225   15.823  171.409   6.9459  189.254   6.1698 -17.84497 9.290398 
1 1 1  -20   11   33 o  247.351   4.7667  414.620   15.954  434.926   23.360  396.870   21.841  253.005   6.8134  241.697   6.6682 11.30811 9.533481 
1 1 1  -20   11   34 o  131.117   4.9908  118.833   8.7061   95.967   12.596  139.751   12.047  118.788   7.8247  143.447   6.1974 -24.65874 9.981700 
1 1 1  -20   11   35 o  306.374   5.0903  637.952   21.112  599.365   29.591  677.960   30.131  296.918   7.3542  315.830   7.0400 -18.91254 10.18062 
1 1 1  -20   11   36 o  152.140   10.191  157.877   21.010   0.0000   0.0000  157.877   21.010  ?   ?   152.140   10.191      ?      ? 
1 1 1  -20   11   37 o  284.041   6.2755  551.541   22.707  555.607   27.791  543.374   39.385  285.875   7.1738  282.208   10.299 3.667511 12.55095 
1 1 1  -20   11   38 o  305.815   5.1121  636.252   21.173  621.927   30.236  650.034   29.659  302.413   7.3781  309.216   7.0779 -6.802826 10.22417 
1 1 1  -20   11   39 o   93.009   7.3582   61.858   8.1243   53.088   15.296   65.305   9.5888   88.020   12.823   97.998   7.2204 -9.978714 14.71646 
1 1 1  -20   11   40 o  101.080   6.9315   71.337   8.4720   66.006   15.831   73.477   10.029   98.211   11.895  103.950   7.1195 -5.738953 13.86292 
1 1 1  -20   11   41 o  157.858   5.9308  166.416   11.602  177.831   21.590  161.781   13.758  161.437   9.8689  154.279   6.5805 7.157562 11.86167 
1 1 1  -20   11   42 o  134.161   5.0886  122.443   9.1953  122.249   13.777  122.600   12.348  134.036   7.5849  134.285   6.7857 -0.2490540 10.17724 
1 1 1  -20   11   43 o  127.339   5.1844  110.340   8.8943  110.114   13.307  110.522   11.958  127.193   7.7201  127.485   6.9217 -0.2917938 10.36874 
1 1 1  -20   11   44 o  224.062   4.8540  342.217   14.699  315.996   20.915  367.804   20.661  215.526   7.1611  232.598   6.5549 -17.07266 9.708090 
1 1 1  -20   11   45 o  195.241   7.1680  259.341   18.965  259.341   18.965   0.0000   0.0000  195.241   7.1680  ?   ?       ?      ? 
1 1 1  -20   11   46 o  209.659   10.237  300.395   29.084  300.395   29.084   0.0000   0.0000  209.659   10.237  ?   ?       ?      ? 
1 1 1  -20   11   47 o  235.055   6.1163  378.549   18.016  371.847   32.200  381.603   21.737  233.249   10.187  236.861   6.7721 -3.612030 12.23264 
1 1 1  -20   11   48 o  146.776   5.1521  147.574   10.158  138.309   15.116  155.205   13.717  142.496   7.8278  151.055   6.7010 -8.559204 10.30423 
1 1 1  -20   11   49 o  102.865   5.9690   73.218   8.1786   64.833   12.310   79.844   10.943   97.443   9.3224  108.286   7.4571 -10.84290 11.93797 
1 1 1  -20   11   50 o   98.858   6.1003   66.095   8.1135   71.331   12.398   62.172   10.731  102.228   8.9493   95.489   8.2925 6.739265 12.20061 
1 1 1  -20   11   51 o  210.156   4.9461  297.634   14.015  336.263   21.079  267.026   18.763  222.254   6.9987  198.057   6.9910 24.19739 9.892227 
1 1 1  -20   11   52 o  119.614   7.1421   99.368   10.926  102.528   13.519   93.416   18.554  122.608   8.1368  116.621   11.740 5.987000 14.28422 
1 1 1  -20   11   53 o   77.529   9.5634   43.238   9.2927   45.770   11.639   38.786   15.433   81.720   10.510   73.338   15.980 8.381912 19.12685 
1 1 1  -20   11   54 o  215.691   4.9526  317.847   14.427  291.088   20.554  343.835   20.256  206.660   7.3394  224.723   6.6516 -18.06282 9.905116 
1 1 1  -20   11   55 o   61.393   8.6569   25.760   7.0326   33.455   10.858   20.199   9.2305   69.736   11.489   53.050   12.952 16.68584 17.31390 
1 1 1  -20   11   56 o   72.767   8.6838   36.320   8.2779   29.436   10.920   45.620   12.693   64.142   13.008   81.393   11.508 -17.25035 17.36755 
1 1 1  -20   11   57 o   97.671   7.0850   65.852   9.2438   67.822   12.202   63.198   14.162   99.513   9.0481   95.829   10.905 3.683823 14.17006 
1 1 1  -20   11   58 o  136.644   6.1603  124.557   11.234  109.554   14.433  147.618   17.893  126.523   8.4177  146.764   8.9966 -20.24066 12.32056 
1 1 1  -20   11   59 o  237.266   7.0504  387.551   22.540  383.881   33.622  390.548   30.378  236.048   10.511  238.484   9.3997 -2.435989 14.10073 
1 1 1  -20   11   60 o  181.336   6.3098  219.577   14.161  240.885   26.543  211.099   16.743  186.875   10.481  175.798   7.0282 11.07623 12.61965 
1 1 1  -20   11   61 o   84.846   8.9938   52.816   8.7961   46.657   16.550   55.241   10.384   79.976   15.830   89.716   8.5413 -9.740265 17.98769 
1 1 1  -20   11   62 o  100.232   7.5033   64.404   9.3221   82.575   17.945   57.688   10.910  108.866   12.163   91.598   8.7892 17.26859 15.00668 
1 1 1  -20   11   63 o  191.383   5.0816  250.318   13.140  257.224   19.449  244.518   17.823  193.744   7.4077  189.023   6.9581 4.720978 10.16317 
1 1 1  -20   11   64 o  145.286   6.7718  152.493   11.895  130.710   21.686  161.868   14.226  136.811   11.697  153.762   6.8274 -16.95071 13.54359 
1 1 1  -20   11   65 o  127.372   6.6714  107.209   10.501  124.927   19.970  100.437   12.346  133.826   11.012  120.918   7.5347 12.90777 13.34277 
1 1 1  -20   11   66 o   64.013   8.6144   31.295   7.0625   20.164   10.758   39.725   9.3623   52.284   14.616   75.742   9.1215 -23.45772 17.22872 
1 1 1  -20   11   67 o   75.682   9.3544   42.491   8.8729   45.420   11.162   37.464   14.624   80.676   10.210   70.689   15.677 9.986526 18.70875 
1 1 1  -20   11   68 o   98.147   6.2022   68.458   8.0377   55.379   11.944   79.283   10.866   89.054   9.8975  107.240   7.4772 -18.18558 12.40437 
1 1 1  -20   11   69 o   73.874   7.2477   38.877   7.1256   34.018   10.672   42.785   9.5717   69.356   11.355   78.392   9.0102 -9.036385 14.49547 
1 1 1  -20   11   70 o   49.356   9.3488   17.947   6.3329   20.125   9.6990   16.328   8.3612   51.812   13.630   46.900   12.799 4.912369 18.69750 
1 1 1  -20   11   71 o   78.524   6.8111   43.849   7.1483   38.648   10.569   48.235   9.7048   73.898   10.554   83.150   8.6127 -9.251839 13.62223 
1 1 1  -20   11   72 o   57.034   8.7746   23.917   6.5809   29.250   9.9104   19.710   8.8016   62.859   12.073   51.209   12.736 11.65013 17.54915 
1 1 1  -20   11   73 o   52.390   9.0950   20.213   6.4737   27.177   9.8212   14.863   8.6085   60.247   12.442   44.532   13.270 15.71429 18.19003 
1 1 1  -20   11   74 o   47.656   10.304   17.136   6.8790   16.985   12.828   17.197   8.1499   47.654   16.404   47.659   12.474 -0.5615234E-02 20.60821 
1 1 1  -20   11   75 o   58.608   10.913   27.109   8.6852   27.722   13.629   26.690   11.270   58.699   16.465   58.516   14.327 0.1829147 21.82620 
1 1 1  -20   11   76 o   76.379   9.5573   44.253   9.5295   44.094   14.675   44.369   12.531   74.982   14.967   77.777   11.889 -2.795044 19.11455 
1 1 1  -20   11   77 f  132.911   7.4916  130.289   13.192  105.769   19.268  151.924   18.099  119.821   11.867  146.001   9.1478 -26.18045 14.98324 
1 1 1  -20   11   78 o  134.246   7.4275  132.257   13.330  118.787   19.790  143.442   18.034  127.029   11.497  141.463   9.4073 -14.43378 14.85490 
1 1 1  -20   11   79 o   77.112   14.667   47.166   14.767   47.166   14.767   0.0000   0.0000   77.112   14.667  ?   ?       ?      ? 
1 1 1  -20   12    1 f   76.369   9.0372   36.667   7.6546   33.690   8.5921   48.118   16.852   70.353   9.0123   82.385   15.667 -12.03146 18.07442 
1 1 1  -20   12    2 f  235.930   4.6724  378.094   14.937  379.660   21.012  376.494   21.239  236.428   6.5581  235.432   6.6571 0.9963684 9.344811 
1 1 1  -20   12    3 o  223.275   4.6357  338.543   14.025  333.195   19.718  344.020   19.954  221.490   6.5693  225.061   6.5424 -3.571487 9.271403 
1 1 1  -20   12    4 o  220.952   4.6322  331.523   13.866  342.775   19.734  320.553   19.486  224.660   6.4820  217.245   6.6190 7.415131 9.264313 
1 1 1  -20   12    5 o  106.517   5.0647   77.233   7.2926   74.693   10.585   79.527   10.062  104.834   7.4509  108.199   6.8622 -3.364235 10.12939 
1 1 1  -20   12    6 o  221.384   4.6688  332.835   14.002  320.778   19.681  345.190   19.924  217.319   6.6830  225.450   6.5214 -8.130707 9.337607 
1 1 1  -20   12    7 o  135.717   4.9234  124.279   8.5963  122.461   10.569  127.833   14.777  134.315   5.8065  137.120   7.9525 -2.804596 9.846736 
1 1 1  -20   12    8 o  152.696   4.9507  159.813   9.5915  162.517   11.722  154.337   16.684  154.741   5.5901  150.652   8.1723 4.089371 9.901299 
1 1 1  -20   12   10 f   23.476   10.343  -1.8739   6.4020  -1.8739   6.4020   0.0000   0.0000   23.476   10.343  ?   ?       ?      ? 
1 1 1  -20   12   11 o  238.027   5.5810  378.566   17.638  354.352   22.484  417.315   28.442  228.361   7.2656  247.693   8.4736 -19.33199 11.16202 
1 1 1  -20   12   12 o  161.446   5.4640  177.477   11.875  179.902   15.963  174.473   17.769  162.714   7.2396  160.177   8.1860 2.537109 10.92807 
1 1 1  -20   12   13 o  144.336   4.8804  139.374   9.0391  135.059   11.042  148.143   15.739  141.056   5.7764  147.617   7.8681 -6.560608 9.760793 
1 1 1  -20   12   14 o  226.635   5.1301  352.401   14.402  357.515   17.247  340.622   26.176  229.513   5.5453  223.758   8.6326 5.754517 10.26027 
1 1 1  -20   12   15 o  107.209   5.1699   75.688   7.2632   69.307   9.0226   87.436   12.243  101.018   6.5910  113.401   7.9667 -12.38309 10.33970 
1 1 1  -20   12   16 o  220.370   4.9851  322.866   13.646  312.752   16.196  347.624   25.339  214.661   5.5676  226.079   8.2709 -11.41867 9.970210 
1 1 1  -20   12   17 o  217.166   5.0757  322.264   13.710  325.056   16.443  315.895   24.832  218.843   5.5444  215.489   8.5035 3.353775 10.15135 
1 1 1  -20   12   18 o  240.820   5.6281  393.646   18.367  393.646   18.367   0.0000   0.0000  240.820   5.6281  ?   ?       ?      ? 
1 1 1  -20   12   19 o   59.276   7.4122   24.147   5.7653   23.036   7.5632   25.687   8.9076   58.157   9.5966   60.394   11.299 -2.236900 14.82446 
1 1 1  -20   12   20 o  133.149   4.9077  117.031   8.4457  109.743   10.336  131.670   14.650  127.136   5.9994  139.163   7.7684 -12.02689 9.815346 
1 1 1  -20   12   21 o  160.486   4.9924  177.021   10.177  180.960   12.468  169.158   17.615  163.275   5.6349  157.696   8.2429 5.578247 9.984852 
1 1 1  -20   12   22 o  267.774   5.4059  498.119   17.893  514.568   21.504  461.102   32.259  275.312   5.7637  260.235   9.1474 15.07660 10.81185 
1 1 1  -20   12   23 o  132.001   5.0640  117.400   8.6985  114.862   10.823  122.033   14.620  130.055   6.1408  133.947   8.0541 -3.891357 10.12808 
1 1 1  -20   12   24 o  317.124   5.6680  668.916   21.845  650.686   25.564  718.259   42.059  309.548   6.0942  324.699   9.5585 -15.15149 11.33600 
1 1 1  -20   12   25 o  142.054   4.9543  131.643   9.1140  119.858   11.133  155.589   15.869  132.848   6.1841  151.260   7.7420 -18.41264 9.908665 
1 1 1  -20   12   26 o  133.859   5.2773  125.001   9.0615  132.713   11.342  111.390   15.068  139.798   5.9867  127.920   8.6924 11.87809 10.55452 
1 1 1  -20   12   27 o  249.970   5.3042  427.457   16.435  431.362   19.664  418.409   29.931  252.055   5.7570  247.885   8.9103 4.170135 10.60832 
1 1 1  -20   12   28 o  233.792   5.6354  368.398   17.521  354.795   22.510  389.305   27.907  228.447   7.2712  239.138   8.6116 -10.69147 11.27078 
1 1 1  -20   12   29 o  230.727   5.6726  360.776   17.448  354.474   22.631  370.014   27.399  228.332   7.3140  233.121   8.6730 -4.788818 11.34523 
1 1 1  -20   12   30 o  269.014   5.4241  490.191   18.044  487.249   21.472  497.265   33.293  267.855   5.9154  270.173   9.0935 -2.317230 10.84815 
1 1 1  -20   12   31 o  268.691   5.4130  484.281   17.975  474.793   21.310  507.680   33.464  264.401   5.9474  272.982   9.0461 -8.580780 10.82607 
1 1 1  -20   12   32 o  238.590   5.6299  373.629   17.671  334.410   22.037  444.266   29.575  221.753   7.3333  255.428   8.5442 -33.67458 11.25973 
1 1 1  -20   12   33 o  273.367   5.9081  512.514   21.316  526.073   27.415  491.788   33.895  278.132   7.2737  268.602   9.3121 9.529724 11.81618 
1 1 1  -20   12   34 o  159.118   7.3767  172.210   15.906  172.210   15.906   0.0000   0.0000  159.118   7.3767  ?   ?       ?      ? 
1 1 1  -20   12   35 o  117.728   10.647   94.679   16.986   94.679   16.986   0.0000   0.0000  117.728   10.647  ?   ?       ?      ? 
1 1 1  -20   12   36 o  161.183   4.8341  177.988   10.477  160.254   15.258  193.812   14.412  153.486   7.3358  168.881   6.2976 -15.39465 9.668188 
1 1 1  -20   12   37 o  104.775   5.4669   74.894   7.6969   73.285   11.596   76.160   10.291  103.735   8.2489  105.815   7.1766 -2.080696 10.93382 
1 1 1  -20   12   38 f  286.013   5.0184  555.862   19.432  568.411   28.222  544.550   26.795  289.062   7.2048  282.963   6.9877 6.098938 10.03678 
1 1 1  -20   12   39 o  103.197   5.7088   72.949   7.8830   69.644   11.990   75.466   10.462  101.080   8.7537  105.314   7.3305 -4.234161 11.41764 
1 1 1  -20   12   40 o  169.767   4.9387  196.881   11.291  187.408   16.692  204.870   15.329  165.944   7.4227  173.590   6.5165 -7.646469 9.877322 
1 1 1  -20   12   41 o  150.709   6.8486  154.488   13.987   0.0000   0.0000  154.488   13.987  ?   ?   150.709   6.8486      ?      ? 
1 1 1  -20   12   42 o  117.368   5.6204   94.978   8.7607   87.383   13.504  100.497   11.512  113.196   8.8034  121.539   6.9896 -8.342239 11.24078 
1 1 1  -20   12   43 o  269.400   5.0191  494.001   18.300  491.226   26.514  496.525   25.290  268.646   7.2831  270.153   6.9080 -1.506378 10.03818 
1 1 1  -20   12   44 o  150.653   6.7659  154.401   13.813   0.0000   0.0000  154.401   13.813  ?   ?   150.653   6.7659      ?      ? 
1 1 1  -20   12   45 o  265.505   6.2013  476.041   20.605  493.787   37.416  468.317   24.685  268.679   10.277  262.332   6.9438 6.347046 12.40253 
1 1 1  -20   12   46 o  271.804   7.3251  503.070   26.980  503.070   26.980   0.0000   0.0000  271.804   7.3251  ?   ?       ?      ? 
1 1 1  -20   12   47 o  256.298   7.2431  447.339   25.157  447.339   25.157   0.0000   0.0000  256.298   7.2431  ?   ?       ?      ? 
1 1 1  -20   12   48 o  154.359   5.1821  163.203   10.764  153.176   15.892  171.702   14.630  149.896   7.8235  158.821   6.7977 -8.924576 10.36414 
1 1 1  -20   12   49 o  341.147   7.8324  793.622   36.209  793.622   36.209   0.0000   0.0000  341.147   7.8324  ?   ?       ?      ? 
1 1 1  -20   12   50 o  171.342   6.3456  198.722   13.985  194.583   17.171  206.878   24.104  168.944   7.5001  173.740   10.238 -4.796692 12.69111 
1 1 1  -20   12   51 o  263.956   6.3345  477.097   21.382  478.441   26.243  474.444   36.877  264.914   7.3102  262.998   10.347 1.915375 12.66892 
1 1 1  -20   12   52 o  108.024   5.9193   80.031   8.6108   76.819   12.763   82.715   11.666  105.969   8.8880  110.079   7.8203 -4.110390 11.83865 
1 1 1  -20   12   53 o  123.382   6.3865  104.720   10.485  106.933   13.678  101.566   16.326  125.101   8.0683  121.664   9.9022 3.436432 12.77309 
1 1 1  -20   12   54 o   57.454   10.116   23.754   7.8712   20.466   10.855   27.399   11.430   53.319   14.597   61.589   14.011 -8.270237 20.23297 
1 1 1  -20   12   55 o  133.460   6.8005  121.194   11.094  124.990   20.928  119.711   13.084  134.518   11.481  132.402   7.2924 2.116241 13.60103 
1 1 1  -20   12   56 o  107.440   5.8831   78.524   8.5016   83.379   12.982   74.878   11.249  110.275   8.6872  104.605   7.9358 5.670433 11.76627 
1 1 1  -20   12   57 o   54.859   9.4023   21.773   6.8367   21.809   10.689   21.749   8.8936   54.791   14.259   54.926   12.259 -0.1356354 18.80454 
1 1 1  -20   12   58 o   52.080   9.2094   18.121   6.6419   29.516   10.598   10.751   8.5232   64.033   12.662   40.128   13.376 23.90524 18.41890 
1 1 1  -20   12   59 o  102.941   6.4101   76.138   8.5389   57.896   13.090   89.650   11.266   91.445   10.563  114.438   7.2646 -22.99278 12.82024 
1 1 1  -20   12   60 o   60.874   10.409   23.679   7.6775   36.435   15.370   19.439   8.8623   70.054   16.468   51.693   12.734 18.36169 20.81771 
1 1 1  -20   12   61 o   41.038   9.1276   11.771   7.1006 -15.6702   14.862   19.888   8.0828   29.681   14.028   52.395   11.682 -22.71406 18.25530 
1 1 1  -20   12   62 o   57.923   10.686   21.353   7.4354   33.054   15.699   17.970   8.4424   66.238   17.301   49.609   12.549 16.62883 21.37284 
1 1 1  -20   12   63 o   83.073   6.9636   50.445   7.4154   35.443   11.183   62.217   9.9065   71.064   11.613   95.082   7.6885 -24.01791 13.92716 
1 1 1  -20   12   64 o   36.265   9.4927   7.1156   6.1285   10.562   9.7039   4.8290   7.9043   40.353   14.243   32.177   12.553 8.175465 18.98544 
1 1 1  -20   12   65 o   90.883   7.8681   58.134   9.2579   58.186   11.529   58.041   15.533   91.446   9.3037   90.320   12.691 1.126259 15.73612 
1 1 1  -20   12   66 o   60.210   8.5676   25.950   6.6870   31.499   10.420   22.063   8.7195   65.661   12.158   54.759   12.075 10.90219 17.13526 
1 1 1  -20   12   67 o   52.634   9.1230   20.290   6.4130   23.610   9.8575   17.854   8.4444   56.249   13.165   49.019   12.633 7.229832 18.24593 
1 1 1  -20   12   68 o   42.467   9.2112   13.358   6.0605   7.8474   9.4174   17.254   7.9180   36.753   13.862   48.180   12.134 -11.42683 18.42248 
1 1 1  -20   12   69 o   40.269   8.6837   11.494   5.9187   1.6084   9.1398   18.634   7.7674   30.447   12.871   50.092   11.661 -19.64474 17.36736 
1 1 1  -20   12   70 o   77.418   6.7414   41.912   7.0273   45.743   10.699   39.006   9.3195   80.407   9.8189   74.430   9.2398 5.976639 13.48278 
1 1 1  -20   12   71 o   88.509   6.2800   55.367   7.4803   52.947   11.093   57.386   10.130   86.504   9.4628   90.515   8.2588 -4.011810 12.55993 
1 1 1  -20   12   72 o  107.980   6.6706   84.194   9.5228   91.591   12.570   74.230   14.589  114.280   8.1166  101.680   10.588 12.60044 13.34121 
1 1 1  -20   12   73 o  115.896   7.6659   98.293   11.790   89.512   18.049  104.828   15.571  110.464   12.057  121.329   9.4705 -10.86448 15.33173 
1 1 1  -20   12   74 o   65.320   10.573   31.596   9.0446   46.282   14.939   23.098   11.364   76.771   14.897   53.869   15.009 22.90226 21.14665 
1 1 1  -20   12   75 o   37.297   10.094   8.1409   7.6209  -1.1133   12.646   13.418   9.5498   32.388   14.390   42.206   14.159 -9.817768 20.18764 
1 1 1  -20   12   76 o   36.232   10.179   5.3534   7.5094   13.564   12.139   0.2631   9.5578   43.115   15.837   29.350   12.792 13.76526 20.35744 
1 1 1  -20   12   77 o   37.980   15.274   8.0610   12.043   8.0610   12.043   0.0000   0.0000   37.980   15.274  ?   ?       ?      ? 
1 1 1  -20   13    1 o  126.148   4.9762  107.908   8.4923   99.639   11.712  117.074   12.332  121.060   7.1393  131.237   6.9339 -10.17739 9.952312 
1 1 1  -20   13    2 o  129.377   4.8431  113.749   8.4903  112.239   11.912  115.308   12.105  128.505   6.8402  130.249   6.8581 -1.744019 9.686110 
1 1 1  -20   13    3 o  179.251   4.6619  217.889   11.303  199.699   15.635  237.799   16.358  171.421   6.7306  187.082   6.4523 -15.66159 9.323800 
1 1 1  -20   13    4 o  256.864   4.8213  448.359   16.778  462.321   23.871  434.727   23.587  260.823   6.7538  252.905   6.8823 7.917908 9.642558 
1 1 1  -20   13    5 o   98.959   5.4011   66.754   7.2237   64.066   10.472   69.194   9.9773   97.037   7.9638  100.880   7.2984 -3.842552 10.80228 
1 1 1  -20   13    6 o  228.058   4.7552  353.025   14.680  330.756   20.413  376.881   21.127  220.607   6.8280  235.509   6.6200 -14.90163 9.510328 
1 1 1  -20   13    7 o  141.228   5.3249  134.220   10.057  127.430   13.060  144.108   15.762  136.919   7.0390  145.536   7.9920 -8.617065 10.64989 
1 1 1  -20   13    8 o  151.781   5.0436  160.070   9.6342  166.481   11.766  147.026   16.783  156.594   5.5446  146.969   8.4267 9.624893 10.08724 
1 1 1  -20   13    9 o  196.832   5.4611  264.261   14.307  267.570   18.626  259.499   22.343  198.413   6.9274  195.251   8.4443 3.162033 10.92220 
1 1 1  -20   13   10 f  121.354   5.1971   99.479   8.0636   98.186   9.8536  102.099   14.030  120.237   6.0475  122.472   8.4538 -2.235054 10.39415 
1 1 1  -20   13   11 o  196.160   4.9979  258.870   12.173  254.938   14.495  268.277   22.421  193.782   5.5196  198.538   8.3336 -4.755463 9.995734 
1 1 1  -20   13   12 o  157.421   4.9108  164.363   9.7787  157.542   11.754  179.701   17.624  152.323   5.6942  162.518   8.0025 -10.19466 9.821593 
1 1 1  -20   13   13 o  153.896   4.9609  155.844   9.7461  146.508   11.774  176.162   17.370  146.880   5.9154  160.912   7.9656 -14.03195 9.921858 
1 1 1  -20   13   14 o  225.756   5.1656  345.970   14.474  345.143   17.284  347.911   26.481  225.461   5.6571  226.050   8.6447 -0.5890656 10.33115 
1 1 1  -20   13   15 o   78.512   10.304   42.056   10.963   42.056   10.963   0.0000   0.0000   78.512   10.304  ?   ?       ?      ? 
1 1 1  -20   13   16 o  249.330   5.7578  422.128   19.454  422.128   19.454   0.0000   0.0000  249.330   5.7578  ?   ?       ?      ? 
1 1 1  -20   13   17 f  174.221   5.1243  208.880   11.260  213.436   13.706  199.423   19.747  177.293   5.7047  171.149   8.5141 6.143845 10.24859 
1 1 1  -20   13   18 o  132.152   5.1939  118.177   8.8535  116.888   10.927  120.641   15.107  131.179   6.1466  133.126   8.3741 -1.946548 10.38778 
1 1 1  -20   13   19 f  124.196   5.7341  105.413   9.5753  108.931   12.893  101.086   14.299  126.555   7.5178  121.837   8.6605 4.717400 11.46830 
1 1 1  -20   13   20 o  264.788   5.7611  475.541   20.066  470.414   25.418  484.021   32.690  263.039   7.1309  266.538   9.0506 -3.498840 11.52230 
1 1 1  -20   13   21 o  132.598   5.7383  120.219   10.243  125.428   13.904  114.036   15.148  135.793   7.5559  129.403   8.6383 6.389923 11.47656 
1 1 1  -20   13   22 o  287.561   5.8876  555.690   22.176  535.754   27.756  590.875   36.874  280.681   7.2973  294.442   9.2415 -13.76157 11.77522 
1 1 1  -20   13   23 o  155.282   5.5267  164.698   11.515  168.895   15.361  159.315   17.398  157.599   7.1927  152.965   8.3929 4.633926 11.05336 
1 1 1  -20   13   24 o  151.074   5.4715  153.415   11.103  142.035   14.575  169.148   17.137  144.503   7.4430  157.644   8.0219 -13.14043 10.94298 
1 1 1  -20   13   25 o   72.996   7.3890   36.300   7.2637   42.171   10.555   31.019   10.011   78.618   9.9072   67.373   10.965 11.24511 14.77808 
1 1 1  -20   13   26 o  135.988   7.3311  130.199   12.667  114.254   21.358  138.852   15.733  129.164   12.202  142.813   8.1295 -13.64874 14.66222 
1 1 1  -20   13   27 o  174.706   5.5705  203.325   13.041  177.790   16.981  240.036   20.360  161.632   7.7525  187.780   8.0011 -26.14822 11.14092 
1 1 1  -20   13   28 o  225.132   5.1806  338.016   14.550  327.931   17.332  362.087   26.779  219.721   5.8210  230.544   8.5714 -10.82274 10.36116 
1 1 1  -20   13   29 o   44.717   9.1928   14.080   6.0063   17.014   8.1300   10.553   8.9123   48.891   12.286   40.543   13.678 8.347721 18.38554 
1 1 1  -20   13   30 o  135.864   5.4727  129.432   9.5011  138.377   11.873  113.503   15.843  142.703   6.1396  129.025   9.0613 13.67825 10.94545 
1 1 1  -20   13   31 o   63.729   7.9866   27.732   6.7014   23.562   8.8534   33.325   10.255   57.644   11.733   69.814   10.839 -12.16998 15.97320 
1 1 1  -20   13   32 f  335.264   6.3523  764.016   28.861  764.016   28.861   0.0000   0.0000  335.264   6.3523  ?   ?       ?      ? 
1 1 1  -20   13   33 o   78.081   9.2635   41.592   9.8017   41.592   9.8017   0.0000   0.0000   78.081   9.2635  ?   ?       ?      ? 
1 1 1  -20   13   34 o  248.280   5.4176  417.367   16.792  413.796   20.113  425.583   30.508  246.763   6.0146  249.797   9.0125 -3.034515 10.83519 
1 1 1  -20   13   35 o   96.182   7.0140   68.834   8.3452   89.159   11.029   41.605   12.765  114.473   7.1095   77.892   12.093 36.58099 14.02805 
1 1 1  -20   13   36 o  165.311   5.3071  184.062   11.296  179.847   13.875  192.346   19.453  162.650   6.2950  167.971   8.5461 -5.321823 10.61428 
1 1 1  -20   13   37 o   93.716   6.2877   57.996   7.8412   50.091   9.9999   70.616   12.635   85.709   8.6097  101.723   9.1658 -16.01353 12.57535 
1 1 1  -20   13   38 o  149.339   5.7345  161.509   10.700  182.525   13.375  124.162   17.830  163.869   6.0232  134.808   9.7601 29.06079 11.46906 
1 1 1  -20   13   39 o  104.854   6.5237   75.577   9.1971   80.598   12.532   69.715   13.540  108.714   8.5067  100.994   9.8929 7.719902 13.04737 
1 1 1  -20   13   40 o  255.868   7.2108  445.707   25.002  445.707   25.002   0.0000   0.0000  255.868   7.2108  ?   ?       ?      ? 
1 1 1  -20   13   41 o  162.297   4.9611  177.909   10.846  191.692   16.459  167.330   14.420  167.786   7.2390  156.808   6.7859 10.97737 9.922265 
1 1 1  -20   13   42 o  179.321   6.1286  222.411   13.540  212.303   24.738  226.734   16.179  176.093   10.367  182.549   6.5401 -6.456039 12.25726 
1 1 1  -20   13   43 o  121.139   6.8322  102.074   9.9816   96.555   18.834  104.230   11.771  118.557   11.723  123.721   7.0205 -5.164642 13.66440 
1 1 1  -20   13   44 o  103.640   5.8898   74.017   8.1315   69.018   12.466   77.719   10.728  100.487   9.1548  106.793   7.4129 -6.305954 11.77967 
1 1 1  -20   13   45 o  164.048   5.0163  183.781   11.079  179.254   16.530  187.474   14.928  162.153   7.5224  165.942   6.6384 -3.788727 10.03269 
1 1 1  -20   13   46 o  187.506   4.9557  240.618   12.523  227.065   18.378  252.364   17.110  182.491   7.4314  192.521   6.5581 -10.03081 9.911375 
1 1 1  -20   13   47 o  240.572   5.0012  393.277   16.262  410.520   24.053  378.761   22.071  245.381   7.2336  235.763   6.9081 9.618546 10.00232 
1 1 1  -20   13   48 o  100.300   9.2464   68.895   12.568   68.895   12.568   0.0000   0.0000  100.300   9.2464  ?   ?       ?      ? 
1 1 1  -20   13   49 o   79.770   10.534   43.749   11.387   43.749   11.387   0.0000   0.0000   79.770   10.534  ?   ?       ?      ? 
1 1 1  -20   13   50 o  170.594   6.9380  201.689   15.806  187.528   23.992  212.547   21.009  165.032   10.728  176.156   8.8009 -11.12393 13.87597 
1 1 1  -20   13   51 o  102.300   6.0770   70.168   8.3204   81.734   13.084   62.316   10.781  109.194   8.8423   95.406   8.3387 13.78788 12.15408 
1 1 1  -20   13   52 o  162.395   5.1103  180.693   11.167  175.479   16.680  184.928   15.032  160.179   7.6843  164.612   6.7388 -4.432983 10.22062 
1 1 1  -20   13   53 o  164.478   5.1083  185.789   11.312  175.907   16.706  194.157   15.372  160.324   7.6894  168.632   6.7269 -8.308075 10.21656 
1 1 1  -20   13   54 o  185.533   4.9893  234.761   12.489  241.315   18.661  229.444   16.809  187.807   7.3323  183.260   6.7683 4.546982 9.978656 
1 1 1  -20   13   55 f   48.777   9.6748   17.459   6.6421   14.563   10.608   19.327   8.5188   45.901   14.904   51.653   12.339 -5.751343 19.34951 
1 1 1  -20   13   56 o   89.131   6.6206   52.391   7.7920   72.679   12.481   39.432   9.9748  102.716   8.9665   75.547   9.7433 27.16952 13.24121 
1 1 1  -20   13   57 o  151.132   6.8799  164.740   12.308  143.630   23.310  172.902   14.494  143.318   12.002  158.946   6.7289 -15.62732 13.75979 
1 1 1  -20   13   58 o   79.329   8.7374   43.417   9.3929   0.0000   0.0000   43.417   9.3929  ?   ?    79.329   8.7374      ?      ? 
1 1 1  -20   13   59 o   48.567   9.1860   18.110   6.6339   7.9053   10.510   24.868   8.5529   38.374   14.603   58.761   11.149 -20.38702 18.37206 
1 1 1  -20   13   60 o  153.909   5.1734  162.303   10.719  167.708   16.223  158.116   14.279  156.064   7.6710  151.754   6.9436 4.309723 10.34690 
1 1 1  -20   13   61 o  144.543   5.2776  144.761   10.229  137.187   15.382  150.766   13.697  140.939   8.0539  148.146   6.8224 -7.207108 10.55511 
1 1 1  -20   13   62 o   60.852   8.7402   26.233   6.8819   33.606   10.898   21.343   8.8755   67.891   12.298   53.813   12.423 14.07823 17.48041 
1 1 1  -20   13   63 f   96.322   7.9816   67.667   9.8406   73.120   12.403   58.405   16.166  102.482   8.9312   90.161   13.231 12.32093 15.96313 
1 1 1  -20   13   64 o  159.518   5.1365  175.233   11.066  182.354   16.457  169.355   14.952  162.375   7.4790  156.661   7.0428 5.713791 10.27310 
1 1 1  -20   13   65 o   66.687   8.3267   35.082   6.9416   18.727   10.324   48.579   9.3782   49.839   14.447   83.536   8.2844 -33.69719 16.65338 
1 1 1  -20   13   66 o   32.891   8.5901   4.6510   5.8310  -4.8354   8.8704   11.869   7.7376   25.365   11.585   40.416   12.687 -15.05111 17.18015 
1 1 1  -20   13   67 o   55.039   8.7637   22.363   6.3538   26.532   9.6692   19.194   8.4293   59.562   12.383   50.517   12.404 9.045246 17.52740 
1 1 1  -20   13   68 o   93.654   6.0396   62.165   7.5814   55.811   11.169   67.592   10.324   88.881   9.2733   98.426   7.7402 -9.544731 12.07913 
1 1 1  -20   13   69 o   90.244   6.2383   58.068   7.5375   51.501   11.091   63.704   10.275   85.115   9.6156   95.374   7.9502 -10.25867 12.47660 
1 1 1  -20   13   70 o   38.371   9.6389   9.6098   6.6771   14.888   9.1214   3.5162   9.8009   44.235   13.757   32.507   13.505 11.72867 19.27779 
1 1 1  -20   13   71 o   68.154   10.264   36.560   9.0369   35.533   14.295   37.245   11.663   66.323   16.073   69.985   12.768 -3.662125 20.52739 
1 1 1  -20   13   72 o   53.127   11.011   21.272   8.5020   31.598   13.588   14.628   10.899   62.287   16.010   43.968   15.122 18.31862 22.02272 
1 1 1  -20   13   73 o   66.091   10.458   33.670   9.0176   42.610   14.388   27.886   11.573   73.091   15.028   59.090   14.549 14.00101 20.91677 
1 1 1  -20   13   74 o   29.266   9.2768  -2.0219   7.4268  -1.3393   11.899  -2.4575   9.5057   31.188   13.901   27.343   12.288 3.845188 18.55361 
1 1 1  -20   13   75 o   60.652   10.913   29.580   8.9651   36.160   13.752   24.716   11.823   66.425   15.552   54.880   15.315 11.54512 21.82678 
1 1 1  -20   14    1 o  162.100   4.8128  178.757   10.568  182.058   14.824  175.345   15.069  163.633   6.6850  160.567   6.9255 3.065659 9.625581 
1 1 1  -20   14    2 o  164.432   4.8057  183.850   10.706  183.500   14.979  184.216   15.308  164.278   6.7284  164.586   6.8635 -0.3084259 9.611411 
1 1 1  -20   14    3 o   75.296   6.5513   38.654   6.6830   39.330   9.5817   38.014   9.3260   75.934   9.3116   74.658   9.2180 1.275703 13.10259 
1 1 1  -20   14    4 o  142.734   4.9221  138.539   9.5090  147.855   13.573  129.559   13.326  147.459   6.7922  138.010   7.1255 9.449371 9.844120 
1 1 1  -20   14    5 o   99.485   7.4877   66.140   8.9539   70.905   17.529   64.457   10.415  101.668   12.723   97.303   7.8988 4.365555 14.97539 
1 1 1  -20   14    6 o  112.656   7.0103   84.958   9.5374   90.363   18.502   83.002   11.130  114.865   11.886  110.447   7.4365 4.418350 14.02068 
1 1 1  -20   14    7 o   53.108   8.5206   20.475   6.0329   15.387   8.8634   24.867   8.2349   46.762   13.335   59.453   10.610 -12.69140 17.04129 
1 1 1  -20   14    8 o   31.600   8.6312   4.4056   5.2893   6.3254   6.8130   1.4932   8.3916   33.117   11.908   30.083   12.497 3.034281 17.26241 
1 1 1  -20   14    9 o   73.906   6.5965   36.189   6.4236   33.029   8.0471   41.738   10.665   69.627   8.5287   78.185   10.066 -8.558922 13.19305 
1 1 1  -20   14   10 o  311.680   5.7559  664.315   21.723  667.793   25.564  655.277   41.208  313.508   6.0172  309.852   9.8140 3.656189 11.51175 
1 1 1  -20   14   11 o   73.808   6.6176   36.156   6.4164   33.364   8.0093   41.158   10.721   69.982   8.4455   77.633   10.190 -7.651009 13.23520 
1 1 1  -20   14   12 o   59.812   9.3904   24.403   7.6113   24.403   7.6113   0.0000   0.0000   59.812   9.3904  ?   ?       ?      ? 
1 1 1  -20   14   13 o   50.773   11.263   18.319   7.5470   18.319   7.5470   0.0000   0.0000   50.773   11.263  ?   ?       ?      ? 
1 1 1  -20   14   14 o  106.623   5.5349   75.717   7.6608   71.859   9.4452   83.133   13.097  102.803   6.7799  110.444   8.7506 -7.641617 11.06980 
1 1 1  -20   14   15 o  102.060   5.7445   71.574   7.5820   73.160   9.4665   68.737   12.663  103.731   6.7344  100.388   9.3083 3.342323 11.48899 
1 1 1  -20   14   16 o  136.351   5.1633  124.740   9.0275  121.240   11.027  131.853   15.721  133.576   6.0916  139.127   8.3385 -5.550705 10.32663 
1 1 1  -20   14   17 o   70.760   6.9102   33.737   6.5079   31.981   8.3543   36.446   10.379   68.488   9.0015   73.032   10.487 -4.543976 13.82047 
1 1 1  -20   14   18 o  160.242   5.2219  176.443   10.574  179.616   12.880  169.882   18.517  162.600   5.8452  157.883   8.6549 4.716553 10.44383 
1 1 1  -20   14   19 o  157.276   5.2780  170.322   10.512  174.107   12.844  162.645   18.294  160.080   5.9209  154.472   8.7391 5.607910 10.55603 
1 1 1  -20   14   20 o  223.290   5.3416  339.010   14.910  338.481   17.908  340.205   26.919  223.199   5.9207  223.381   8.8925 -0.1816711 10.68324 
1 1 1  -20   14   21 o  267.913   7.5375  488.535   27.366  488.535   27.366   0.0000   0.0000  267.913   7.5375  ?   ?       ?      ? 
1 1 1  -20   14   22 o  245.076   5.9909  408.131   19.897  408.131   19.897   0.0000   0.0000  245.076   5.9909  ?   ?       ?      ? 
1 1 1  -20   14   23 o  102.008   6.8927   71.099   9.5059   65.082   13.360   77.268   13.528   97.605   10.101  106.411   9.3816 -8.805939 13.78548 
1 1 1  -20   14   24 f  248.322   5.9000  416.776   19.507  402.701   25.144  438.055   30.916  243.213   7.6290  253.430   9.0020 -10.21686 11.79993 
1 1 1  -20   14   25 o  263.359   5.5347  474.216   18.052  477.044   21.571  467.604   32.980  264.947   6.0080  261.771   9.2970 3.175262 11.06935 
1 1 1  -20   14   26 o   91.159   6.5445   57.291   7.9080   59.817   10.307   53.675   12.331   93.702   8.1169   88.616   10.268 5.086365 13.08895 
1 1 1  -20   14   27 o  121.798   5.5310   93.481   8.7806   71.809   10.822  135.239   15.022  102.686   7.7769  140.911   7.8667 -38.22525 11.06190 
1 1 1  -20   14   28 o  122.840   5.5745  101.514   8.9464   98.176   11.164  107.505   14.955  120.132   6.8578  125.549   8.7903 -5.416931 11.14896 
1 1 1  -20   14   29 o  105.963   5.8328   75.209   8.1201   71.442   10.182   81.792   13.459  102.446   7.3344  109.481   9.0716 -7.035934 11.66565 
1 1 1  -20   14   30 f  191.847   5.9275  250.149   15.410  250.149   15.410   0.0000   0.0000  191.847   5.9275  ?   ?       ?      ? 
1 1 1  -20   14   31 o  145.891   5.4359  144.266   10.131  142.870   12.380  147.096   17.626  144.952   6.3026  146.828   8.8584 -1.875900 10.87172 
1 1 1  -20   14   32 f   69.598   7.7217   34.701   6.8567   39.304   9.0482   28.494   10.508   75.896   8.7975   63.299   12.693 12.59723 15.44333 
1 1 1  -20   14   33 o   94.248   6.1159   58.884   7.6527   52.607   9.7106   69.171   12.432   87.844   8.1574  100.652   9.1145 -12.80840 12.23181 
1 1 1  -20   14   34 o  113.110   5.6452   85.898   8.3442   82.467   10.401   92.094   13.977  110.069   6.9732  116.152   8.8796 -6.082481 11.29041 
1 1 1  -20   14   35 o   48.004   9.2556   16.731   6.3778   21.194   8.4693   10.884   9.6932   54.537   11.802   41.471   14.261 13.06652 18.51118 
1 1 1  -20   14   36 o   51.596   9.0375   19.714   6.5607   26.671   8.7967   10.994   9.8486   61.481   10.960   41.711   14.373 19.77017 18.07506 
1 1 1  -20   14   37 o   46.938   9.3034   14.691   6.3830   8.6499   8.4872   22.557   9.6846   37.754   13.321   56.122   12.991 -18.36882 18.60684 
1 1 1  -20   14   38 o   71.069   7.5176   34.083   7.1558   31.255   9.3013   38.184   11.201   67.550   10.161   74.587   11.082 -7.037117 15.03516 
1 1 1  -20   14   39 o  150.141   5.3881  149.436   10.421  140.698   12.714  167.319   18.188  143.767   6.5260  156.516   8.5754 -12.74889 10.77618 
1 1 1  -20   14   40 o   69.944   9.0428   35.273   8.2056   24.715   11.736   45.369   11.477   58.557   14.787   81.330   10.413 -22.77323 18.08554 
1 1 1  -20   14   41 o   93.716   7.2786   60.324   9.2226   65.129   13.070   55.559   13.016   97.481   9.8937   89.950   10.678 7.530533 14.55713 
1 1 1  -20   14   42 o   50.013   10.164   17.733   7.3173   20.792   10.365   14.695   10.331   53.765   14.065   46.260   14.677 7.504738 20.32835 
1 1 1  -20   14   43 o   95.202   6.8726   61.049   8.7145   47.021   11.579   79.374   13.234   82.739   10.327  107.665   9.0707 -24.92583 13.74516 
1 1 1  -20   14   44 o  116.698   6.4341   94.299   10.058  102.748   13.663   84.303   14.861  122.584   8.2250  110.812   9.8964 11.77165 12.86812 
1 1 1  -20   14   45 o  112.923   7.8515   89.158   11.606   82.746   18.640   93.218   14.831  109.283   12.587  116.563   9.3893 -7.280746 15.70298 
1 1 1  -20   14   46 o   58.454   12.029   23.742   10.218   32.417   15.564   17.170   13.546   66.479   17.159   50.429   16.864 16.05034 24.05872 
1 1 1  -20   14   47 o   67.093   8.2038   32.281   7.0619   28.765   11.077   34.689   9.1659   63.143   13.363   71.043   9.5208 -7.899788 16.40757 
1 1 1  -20   14   48 o  147.495   7.8207  148.917   15.632  148.917   15.632   0.0000   0.0000  147.495   7.8207  ?   ?       ?      ? 
1 1 1  -20   14   49 o  184.433   5.0082  232.186   12.447  235.772   18.679  229.322   16.693  185.631   7.4252  183.235   6.7226 2.396454 10.01639 
1 1 1  -20   14   50 o  125.864   5.5080  107.973   9.2851  112.388   14.386  104.820   12.156  127.962   8.2959  123.767   7.2479 4.195183 11.01610 
1 1 1  -20   14   51 o   78.319   7.1129   40.609   7.3854   52.491   12.017   33.398   9.3621   87.116   10.180   69.522   9.9372 17.59349 14.22583 
1 1 1  -20   14   52 o   76.446   7.8326   43.054   7.4475   33.975   11.842   48.994   9.5789   68.487   13.239   84.405   8.3747 -15.91782 15.66528 
1 1 1  -20   14   53 o  121.053   12.307  102.711   20.189  102.711   20.189   0.0000   0.0000  121.053   12.307  ?   ?       ?      ? 
1 1 1  -20   14   54 o   60.574   10.425   26.156   7.4980   28.408   15.572   25.476   8.5551   61.569   17.712   59.578   11.002 1.990391 20.85089 
1 1 1  -20   14   55 o   71.481   9.4105   33.829   7.7318   43.255   16.101   31.004   8.8146   76.133   16.109   66.829   9.7332 9.304909 18.82104 
1 1 1  -20   14   56 o  125.948   6.6362   99.783   10.173  134.598   20.381   88.233   11.740  138.698   10.844  113.198   7.6530 25.49997 13.27237 
1 1 1  -20   14   57 o  227.312   5.0286  354.579   15.419  363.400   23.048  347.432   20.746  229.724   7.4036  224.899   6.8070 4.825043 10.05726 
1 1 1  -20   14   58 o  136.097   5.3475  127.626   9.7548  128.877   14.965  126.703   12.863  136.500   8.0900  135.694   6.9955 0.8062592 10.69506 
1 1 1  -20   14   59 o   81.417   6.8648   45.336   7.4212   51.426   12.007   41.571   9.4404   85.570   10.354   77.265   9.0161 8.304123 13.72963 
1 1 1  -20   14   60 o  130.463   5.3868  119.315   9.3916  102.884   13.774  133.589   12.839  121.685   8.3531  139.242   6.8041 -17.55715 10.77354 
1 1 1  -20   14   61 o   50.911   10.424   20.178   7.8265   24.507   9.9978   13.327   12.578   57.203   13.170   44.619   16.161 12.58372 20.84779 
1 1 1  -20   14   62 f   79.183   6.8327   45.087   7.1425   38.455   10.855   50.152   9.4855   73.532   10.893   84.834   8.2510 -11.30209 13.66531 
1 1 1  -20   14   63 o   69.822   7.8299   36.365   6.9578   29.403   10.610   41.618   9.2163   62.604   12.934   77.040   8.8279 -14.43620 15.65976 
1 1 1  -20   14   64 o   59.356   8.4814   27.597   6.5756   17.581   10.018   35.180   8.7163   48.044   14.314   70.667   9.1018 -22.62314 16.96285 
1 1 1  -20   14   65 o   47.926   9.3486   17.449   6.2171   17.889   9.5844   17.130   8.1688   48.309   13.896   47.543   12.510 0.7659645 18.69719 
1 1 1  -20   14   66 o   67.378   7.7238   32.447   6.7997   41.193   10.412   25.943   8.9789   75.877   10.126   58.879   11.666 16.99855 15.44752 
1 1 1  -20   14   67 o   74.860   7.8418   39.553   7.8445   33.453   10.150   48.602   12.362   67.918   11.028   81.803   11.152 -13.88471 15.68356 
1 1 1  -20   14   68 o   61.180   9.3583   27.909   7.4653   22.358   9.6434   36.209   11.793   53.636   13.327   68.723   13.142 -15.08702 18.71659 
1 1 1  -20   14   69 o   76.767   9.8595   45.841   9.7913   42.930   15.245   47.884   12.774   72.923   15.878   80.612   11.694 -7.689102 19.71903 
1 1 1  -20   14   70 o   70.088   10.072   39.672   9.1765   31.835   14.331   45.118   11.947   61.828   16.708   78.348   11.252 -16.52025 20.14359 
1 1 1  -20   14   71 o   66.271   10.253   32.781   9.2290   51.154   14.681   20.776   11.867   82.039   13.205   50.503   15.689 31.53564 20.50631 
1 1 1  -20   14   72 o   87.198   9.1317   56.459   10.341   74.315   16.090   43.894   13.498   99.715   11.908   74.681   13.848 25.03413 18.26336 
1 1 1  -20   14   73 o   61.128   14.677   30.359   12.004   0.0000   0.0000   30.359   12.004  ?   ?    61.128   14.677      ?      ? 
1 1 1  -20   15    1 o  127.385   5.2036  110.992   8.9332  123.148   12.552   98.517   12.716  134.524   6.8856  120.247   7.8038 14.27709 10.40719 
1 1 1  -20   15    2 o  151.639   6.3348  155.198   12.112  161.686   21.716  152.269   14.593  153.719   10.425  149.558   7.2003 4.161255 12.66968 
1 1 1  -20   15    3 o  100.936   8.8523   81.378   9.8231   49.197   17.432   96.353   11.891   82.914   16.095  118.958   7.3763 -36.04425 17.70460 
1 1 1  -20   15    4 o  162.241   4.8927  179.152   10.754  180.854   15.069  177.385   15.351  163.036   6.8205  161.445   7.0168 1.591141 9.785412 
1 1 1  -20   15    5 o  125.437   5.1978  107.123   8.8353  107.954   12.524  106.299   12.467  125.922   7.3392  124.951   7.3624 0.9711304 10.39561 
1 1 1  -20   15    6 o  109.404   7.8503   81.545   11.639   0.0000   0.0000   81.545   11.639  ?   ?   109.404   7.8503      ?      ? 
1 1 1  -20   15    7 o  142.854   5.0463  138.895   9.7677  141.994   13.858  135.835   13.769  144.443   7.0799  141.265   7.1928 3.177673 10.09266 
1 1 1  -20   15    8 o  110.538   5.5361   79.627   7.9041   72.177   9.6202   95.102   13.866  102.994   6.8927  118.081   8.6652 -15.08661 11.07223 
1 1 1  -20   15    9 o  240.879   5.7318  394.285   18.710  394.285   18.710   0.0000   0.0000  240.879   5.7318  ?   ?       ?      ? 
1 1 1  -20   15   10 o  142.916   6.0686  138.844   11.753  138.844   11.753   0.0000   0.0000  142.916   6.0686  ?   ?       ?      ? 
1 1 1  -20   15   11 o  240.700   5.3472  390.744   15.769  385.743   18.613  403.458   29.680  238.251   5.7650  243.148   9.0075 -4.896454 10.69443 
1 1 1  -20   15   12 o  112.381   5.6038   83.761   8.1320   78.918   9.9504   93.500   14.111  107.701   6.8177  117.062   8.8955 -9.360580 11.20760 
1 1 1  -20   15   13 o  148.702   5.2776  149.036   9.8873  146.480   11.907  154.714   17.744  146.799   5.9856  150.604   8.6940 -3.805313 10.55524 
1 1 1  -20   15   14 o  110.533   5.7316   83.129   8.1137   82.849   9.9563   83.684   14.000  110.360   6.6574  110.706   9.3319 -0.3456573 11.46321 
1 1 1  -20   15   15 o  116.488   5.6585   92.543   8.4539   92.702   10.402   92.232   14.508  116.743   6.5753  116.232   9.2109 0.5115967 11.31710 
1 1 1  -20   15   16 o  177.285   5.1509  206.611   11.459  195.408   13.646  233.409   21.105  169.555   5.9389  185.015   8.4176 -15.46057 10.30179 
1 1 1  -20   15   17 o   94.889   6.1427   59.398   7.6643   53.673   9.5586   69.705   12.826   88.750   7.9478  101.029   9.3683 -12.27853 12.28545 
1 1 1  -20   15   18 o  161.844   5.4962  186.323   11.087  200.990   13.595  157.206   19.155  171.965   5.8339  151.724   9.3166 20.24142 10.99239 
1 1 1  -20   15   19 f  133.582   5.5529  123.311   9.4823  127.028   11.718  116.256   16.141  136.672   6.3267  130.492   9.1276 6.180313 11.10581 
1 1 1  -20   15   20 o  161.229   5.3444  174.700   11.023  170.095   13.437  184.175   19.275  158.155   6.2698  164.302   8.6569 -6.147186 10.68883 
1 1 1  -20   15   21 o  322.128   10.070  709.725   43.960   0.0000   0.0000  709.725   43.960  ?   ?   322.128   10.070      ?      ? 
1 1 1  -20   15   22 o  271.708   5.6248  500.909   18.842  497.707   22.372  508.722   34.946  270.552   6.1021  272.864   9.4507 -2.311920 11.24952 
1 1 1  -20   15   23 o  178.727   5.3715  219.252   12.119  222.191   14.732  213.100   21.313  180.776   6.0137  176.678   8.9020 4.097961 10.74293 
1 1 1  -20   15   24 o  189.798   5.2365  235.191   12.571  218.685   15.029  273.643   22.938  179.322   6.1845  200.274   8.4519 -20.95181 10.47295 
1 1 1  -20   15   25 o  147.642   5.5760  149.184   10.572  150.465   13.049  146.738   18.035  148.714   6.4750  146.571   9.0798 2.143066 11.15210 
1 1 1  -20   15   26 o  318.743   5.9205  686.428   23.081  677.623   27.216  708.982   43.557  315.605   6.3636  321.882   9.9858 -6.276764 11.84107 
1 1 1  -20   15   27 o  148.978   8.1728  151.400   16.500  151.400   16.500   0.0000   0.0000  148.978   8.1728  ?   ?       ?      ? 
1 1 1  -20   15   28 o  133.764   8.2098  122.079   14.882  122.079   14.882   0.0000   0.0000  133.764   8.2098  ?   ?       ?      ? 
1 1 1  -20   15   29 o   89.758   8.1281   63.997   8.2861   82.150   10.556   34.855   13.374  109.819   7.0932   69.696   14.627 40.12325 16.25615 
1 1 1  -20   15   30 o   47.582   9.5527   15.043   6.5238   10.169   8.4650   22.172   10.238   39.599   13.330   55.564   13.686 -15.96513 19.10547 
1 1 1  -20   15   31 o  105.316   6.1680   76.567   8.4510   78.729   10.649   72.889   13.889  107.476   7.3118  103.157   9.9356 4.318970 12.33606 
1 1 1  -20   15   32 o  186.161   5.3343  229.793   12.598  218.548   15.163  254.858   22.639  179.200   6.2442  193.123   8.6505 -13.92363 10.66867 
1 1 1  -20   15   33 o   88.813   6.8346   50.561   7.7621   31.516   9.8072   82.495   12.699   67.750   10.682  109.875   8.5291 -42.12408 13.66928 
1 1 1  -20   15   34 o  194.096   5.7236  257.072   14.752  256.237   19.038  258.326   23.336  193.853   7.2473  194.339   8.8608 -0.4857178 11.44717 
1 1 1  -20   15   35 o  191.313   5.7515  250.106   14.627  250.372   18.941  249.712   23.024  191.593   7.2954  191.034   8.8937 0.5586548 11.50309 
1 1 1  -20   15   36 o  175.748   5.7526  210.152   13.479  206.051   17.480  216.168   21.170  173.767   7.4232  177.729   8.7900 -3.961960 11.50512 
1 1 1  -20   15   37 o  198.756   5.7397  267.707   15.154  258.734   19.440  281.605   24.194  194.702   7.3679  202.811   8.8030 -8.109207 11.47950 
1 1 1  -20   15   38 o  157.077   6.0823  166.382   12.849  145.195   17.025  194.422   19.586  145.628   8.6271  168.526   8.5761 -22.89839 12.16452 
1 1 1  -20   15   39 o  161.920   5.5394  175.834   11.559  168.655   14.159  190.175   20.012  157.262   6.6441  166.578   8.8654 -9.315552 11.07877 
1 1 1  -20   15   40 o   85.882   10.172   57.807   10.479   36.743   17.160   70.335   13.233   70.599   17.908  101.166   9.6528 -30.56674 20.34429 
1 1 1  -20   15   41 o  166.824   6.1844  192.543   13.846  207.648   18.835  174.783   20.423  174.174   7.9797  159.473   9.4505 14.70082 12.36881 
1 1 1  -20   15   42 o  217.499   5.5495  321.525   15.159  317.711   18.236  330.054   27.271  215.837   6.2347  219.160   9.1824 -3.323044 11.09899 
1 1 1  -20   15   43 o  223.010   5.5067  325.786   15.295  304.944   18.076  378.324   28.699  211.405   6.3098  234.616   9.0268 -23.21121 11.01346 
1 1 1  -20   15   44 o   93.335   8.3913   59.796   10.613   59.796   10.613   0.0000   0.0000   93.335   8.3913  ?   ?       ?      ? 
1 1 1  -20   15   45 o   56.029   9.3628   21.650   7.1797   12.940   9.3953   33.877   11.131   43.343   14.022   68.715   12.410 -25.37218 18.72566 
1 1 1  -20   15   46 o  100.639   6.7172   71.917   8.7932   78.786   11.326   61.497   13.951  107.162   7.7995   94.115   10.938 13.04679 13.43433 
1 1 1  -20   15   47 o   61.809   10.820   29.981   9.2703   17.314   15.959   36.432   11.389   51.346   18.251   72.271   11.629 -20.92500 21.64051 
1 1 1  -20   15   48 o   85.555   9.3626   57.151   8.5137   43.795   17.285   61.429   9.7825   76.525   17.099   94.584   7.6322 -18.05938 18.72511 
1 1 1  -20   15   49 o   46.498   10.857   14.302   6.9614   15.327   15.149   14.027   7.8379   48.932   17.734   44.064   12.531 4.868088 21.71488 
1 1 1  -20   15   50 o   79.475   7.1175   45.605   7.2544   37.778   11.734   50.448   9.2297   73.360   11.803   85.589   7.9577 -12.22945 14.23496 
1 1 1  -20   15   51 o   68.948   7.9444   34.826   6.8720   30.090   11.149   37.727   8.7268   64.045   13.282   73.852   8.7199 -9.807213 15.88875 
1 1 1  -20   15   52 o   75.062   7.0209   38.874   6.9381   40.971   11.352   37.624   8.7658   76.432   10.960   73.692   8.7778 2.739777 14.04183 
1 1 1  -20   15   53 o   97.100   7.8671   69.667   8.7698   59.665   17.215   73.172   10.191   91.129   13.940  103.070   7.2965 -11.94099 15.73417 
1 1 1  -20   15   54 o   51.004   10.093   20.152   6.7814   14.895   13.942   21.782   7.7614   47.233   17.029   54.775   10.840 -7.541874 20.18664 
1 1 1  -20   15   55 o   56.732   8.5436   25.865   6.3808   14.024   10.334   33.161   8.1119   44.413   14.725   69.052   8.6689 -24.63926 17.08715 
1 1 1  -20   15   56 o   89.413   6.2879   54.775   7.5080   61.579   11.895   50.269   9.6798   93.808   9.3574   85.018   8.4018 8.790154 12.57581 
1 1 1  -20   15   57 o   41.838   9.5478   12.673   6.1155   11.165   9.8836   13.608   7.7846   40.710   14.374   42.966   12.571 -2.255684 19.09569 
1 1 1  -20   15   58 o   93.738   6.1739   60.341   7.7688   70.579   12.012   52.979   10.186  100.415   8.8277   87.060   8.6335 13.35551 12.34775 
1 1 1  -20   15   59 o   84.424   8.0760   49.589   8.9590   45.155   11.179   57.548   14.978   79.731   10.347   89.116   12.403 -9.385399 16.15190 
1 1 1  -20   15   60 o   50.844   8.9287   20.185   6.2029   14.795   9.6056   24.041   8.1239   44.540   14.154   57.148   10.888 -12.60773 17.85746 
1 1 1  -20   15   61 o   81.852   6.7038   48.742   7.2127   38.404   10.693   57.374   9.7701   73.141   10.788   90.564   7.9609 -17.42345 13.40750 
1 1 1  -20   15   62 o   57.441   8.6472   24.576   6.4856   28.094   9.8976   21.930   8.5857   61.000   12.396   53.881   12.059 7.118515 17.29433 
1 1 1  -20   15   63 o   50.355   10.328   19.936   7.4347   20.773   9.7820   18.793   11.440   51.702   13.730   49.008   15.433 2.693726 20.65697 
1 1 1  -20   15   64 o   26.421   8.5126  -4.1014   6.6517  -3.6826   8.7501  -4.6746   10.238   25.582   11.615   27.260   12.448 -1.677731 17.02511 
1 1 1  -20   15   65 o   93.933   7.1452   60.842   8.8905   49.859   11.249   79.122   14.512   83.208   9.9759  104.659   10.232 -21.45087 14.29039 
1 1 1  -20   15   66 o   63.551   10.491   29.536   9.6973   53.106   15.290   13.674   12.543   83.657   13.487   43.445   16.074 40.21214 20.98249 
1 1 1  -20   15   67 o   68.850   10.740   38.024   9.6695   39.502   14.821   36.929   12.759   69.388   16.077   68.313   14.244 1.075882 21.47925 
1 1 1  -20   15   68 o   47.873   11.244   18.607   8.7423   13.478   13.334   22.476   11.578   43.307   16.455   52.440   15.328 -9.133015 22.48812 
1 1 1  -20   15   69 o   37.407   10.646   7.8860   8.2988   4.6247   13.214   10.010   10.664   36.213   15.399   38.601   14.705 -2.387451 21.29247 
1 1 1  -20   15   70 o   54.528   15.500   24.706   11.995   0.0000   0.0000   24.706   11.995  ?   ?    54.528   15.500      ?      ? 
1 1 1  -20   16    1 o  117.451   6.1886   88.195   9.5082  129.021   15.798   65.009   11.906  137.414   8.4839   97.489   9.0121 39.92558 12.37718 
1 1 1  -20   16    2 o  198.972   5.6299  258.897   14.687  315.151   24.872  228.779   18.199  214.761   8.5461  183.183   7.3312 31.57765 11.25973 
1 1 1  -20   16    3 o   57.829   9.5087   22.369   7.2985   33.985   11.864   15.296   9.2575   69.050   13.159   46.608   13.729 22.44193 19.01745 
1 1 1  -20   16    4 o  160.869   5.8287  175.357   12.314  182.101   20.234  171.391   15.518  163.163   9.1513  158.575   7.2213 4.588455 11.65731 
1 1 1  -20   16    5 o  140.108   8.1419  143.699   14.412  169.872   18.559  103.940   22.874  157.667   8.6862  122.550   13.774 35.11770 16.28384 
1 1 1  -20   16    6 o  140.106   7.8576  138.654   14.223  149.542   18.056  120.849   23.089  147.889   9.0097  132.324   12.876 15.56483 15.71528 
1 1 1  -20   16    7 o   99.938   6.6657   67.014   8.8532   75.001   14.262   62.007   11.292  104.620   10.060   95.256   8.7479 9.363464 13.33134 
1 1 1  -20   16    8 o  164.519   5.7435  187.139   12.276  193.715   15.472  175.963   20.170  168.655   6.7697  160.383   9.2803 8.271439 11.48709 
1 1 1  -20   16    9 o  123.711   5.9311  104.521   9.6506  104.557   12.258  104.461   15.652  123.855   7.3033  123.566   9.3473 0.2889709 11.86216 
1 1 1  -20   16   10 o   58.080   9.0994   24.539   6.9159   26.758   9.0863   21.483   10.663   61.470   11.325   54.690   14.246 6.780594 18.19884 
1 1 1  -20   16   11 o  118.898   5.9431   95.991   9.3810   93.885   12.049   99.234   14.949  117.338   7.5775  120.458   9.1576 -3.120399 11.88615 
1 1 1  -20   16   12 o  165.992   5.5965  184.863   12.233  175.441   15.395  201.003   20.151  160.465   7.0798  171.519   8.6695 -11.05450 11.19304 
1 1 1  -20   16   13 o   94.867   6.6835   61.847   8.4663   63.198   11.136   59.997   13.032   96.186   8.5439   93.549   10.280 2.636955 13.36709 
1 1 1  -20   16   14 o  130.182   5.8936  116.123   10.178  117.738   13.170  113.726   16.039  131.417   7.3952  128.946   9.1789 2.471054 11.78729 
1 1 1  -20   16   15 o  139.623   5.9435  136.182   10.908  148.583   14.230  118.516   16.984  147.663   7.1114  131.583   9.5250 16.08043 11.88692 
1 1 1  -20   16   16 o  148.251   5.8468  150.619   11.453  152.597   14.706  147.571   18.257  149.624   7.2528  146.878   9.1726 2.746384 11.69355 
1 1 1  -20   16   17 o   44.645   10.313   13.379   7.1803   12.889   10.137   13.873   10.173   44.053   14.583   45.236   14.586 -1.183502 20.62552 
1 1 1  -20   16   18 o  191.562   6.8250  250.202   17.548  259.232   26.933  243.542   23.131  194.427   10.222  188.696   9.0459 5.730545 13.65007 
1 1 1  -20   16   19 o   58.901   9.6652   24.968   7.5513   25.281   10.299   24.604   11.105   59.364   13.149   58.439   14.170 0.9250145 19.33031 
1 1 1  -20   16   20 o  126.404   6.1243  110.216   10.283  114.761   13.446  103.814   15.958  129.694   7.6507  123.115   9.5653 6.579346 12.24856 
1 1 1  -20   16   21 o  110.380   6.4338   82.720   9.5358   78.819   12.543   88.062   14.679  107.376   8.6201  113.383   9.5534 -6.006592 12.86754 
1 1 1  -20   16   22 o  148.648   8.9641  151.186   18.057   0.0000   0.0000  151.186   18.057  ?   ?   148.648   8.9641      ?      ? 
1 1 1  -20   16   23 o  112.481   6.3006   85.444   9.5389   76.591   12.638   97.166   14.542  105.810   8.8137  119.153   9.0061 -13.34275 12.60122 
1 1 1  -20   16   24 o  129.137   7.9681  113.902   13.944  113.902   13.944   0.0000   0.0000  129.137   7.9681  ?   ?       ?      ? 
1 1 1  -20   16   25 f  126.910   7.9521  110.023   13.676  110.023   13.676   0.0000   0.0000  126.910   7.9521  ?   ?       ?      ? 
1 1 1  -20   16   26 f  212.932   5.3949  302.259   14.390  291.022   17.174  328.749   26.367  206.733   6.1301  219.131   8.8794 -12.39761 10.78988 
1 1 1  -20   16   27 o  172.559   5.3911  199.944   11.853  193.649   14.377  213.300   20.943  168.605   6.2926  176.512   8.7555 -7.907547 10.78217 
1 1 1  -20   16   28 o  116.386   5.9512   91.630   8.9912   89.104   11.141   96.348   15.227  114.266   7.1947  118.507   9.4818 -4.241829 11.90246 
1 1 1  -20   16   29 o  151.391   5.5067  154.045   10.629  149.202   12.901  164.280   18.754  147.955   6.4344  154.827   8.9384 -6.872421 11.01346 
1 1 1  -20   16   30 o   84.574   7.2697   51.287   7.8542   56.849   9.9509   42.097   12.792   91.163   8.0549   77.985   12.104 13.17838 14.53942 
1 1 1  -20   16   31 o  114.844   5.9912   88.906   8.9397   85.482   11.064   95.345   15.173  111.869   7.2983  117.818   9.5034 -5.949371 11.98248 
1 1 1  -20   16   32 o   83.144   8.0732   52.903   7.9876   64.551   10.211   34.535   12.822   97.149   7.7562   69.139   14.161 28.00961 16.14639 
1 1 1  -20   16   33 o  127.511   5.7199  105.508   9.4456   93.050   11.502  131.304   16.552  116.687   7.2742  138.335   8.8293 -21.64783 11.43989 
1 1 1  -20   16   34 o   44.726   15.175   13.236   10.971   13.236   10.971   0.0000   0.0000   44.726   15.175  ?   ?       ?      ? 
1 1 1  -20   16   36 o   94.304   11.254   75.258   11.859   41.080   21.327   90.556   14.268   73.873   20.553  114.734   9.1768 -40.86100 22.50876 
1 1 1  -20   16   37 o   73.635   7.8658   36.428   7.4438   26.453   9.5578   51.807   11.867   60.660   12.052   86.610   10.111 -25.94982 15.73165 
1 1 1  -20   16   38 o   25.068   8.1372  -6.5842   6.3879  -3.1177   8.6304 -10.7844   9.4999   26.522   11.829   23.614   11.178 2.907591 16.27437 
1 1 1  -20   16   39 o   91.296   6.8115   56.474   8.2732   52.265   10.578   63.105   13.276   87.112   8.9609   95.480   10.261 -8.367760 13.62293 
1 1 1  -20   16   40 o   95.003   7.4426   62.898   9.5216   55.387   13.541   70.245   13.392   89.220   11.199  100.785   9.8052 -11.56556 14.88522 
1 1 1  -20   16   41 o   86.620   11.139   52.255   13.076   52.255   13.076   0.0000   0.0000   86.620   11.139  ?   ?       ?      ? 
1 1 1  -20   16   42 o   38.846   15.004   7.5782   11.206   7.5782   11.206   0.0000   0.0000   38.846   15.004  ?   ?       ?      ? 
1 1 1  -20   16   43 o   75.621   8.8927   41.260   8.7120   51.807   12.440   31.110   12.204   86.243   10.645   64.999   14.248 21.24358 17.78550 
1 1 1  -20   16   44 o  110.230   6.1174   83.326   8.8097   81.688   11.032   86.208   14.637  109.014   7.4676  111.446   9.6916 -2.432716 12.23485 
1 1 1  -20   16   45 f   56.916   9.0764   23.106   6.8766   16.618   9.1056   31.717   10.491   47.664   13.490   66.169   12.147 -18.50507 18.15282 
1 1 1  -20   16   46 o  135.815   5.7555  125.519   10.134  121.197   12.524  133.718   17.250  132.820   6.9579  138.810   9.1702 -5.990387 11.51109 
1 1 1  -20   16   47 o  113.192   6.0533   88.635   8.9663   88.323   11.299   89.167   14.735  113.244   7.3629  113.140   9.6104 0.1037674 12.10669 
1 1 1  -20   16   48 o   94.820   6.4882   61.092   8.1677   55.705   10.381   69.846   13.233   89.628   8.5469  100.013   9.7641 -10.38522 12.97644 
1 1 1  -20   16   49 o  107.611   6.0209   77.257   8.5369   67.876   10.663   94.002   14.247   99.035   7.9456  116.186   9.0484 -17.15148 12.04185 
1 1 1  -20   16   50 o   97.218   6.6295   64.670   8.4768   60.606   10.631   71.763   14.046   93.406   8.3986  101.030   10.260 -7.624222 13.25891 
1 1 1  -20   16   51 o   44.178   10.590   13.458   7.7494   8.8465   10.986   18.025   10.932   39.226   14.929   49.130   15.024 -9.904129 21.18056 
1 1 1  -20   16   52 o   94.610   7.1302   62.466   9.0890   57.139   12.088   69.394   13.786   90.083   9.9023   99.137   10.262 -9.053848 14.26043 
1 1 1  -20   16   53 o  101.419   6.1044   73.639   8.1472   62.165   12.457   82.216   10.770   93.902   9.7893  108.936   7.2957 -15.03398 12.20889 
1 1 1  -20   16   54 o   82.439   6.6311   46.712   7.3025   54.933   11.582   41.288   9.4080   88.208   9.6896   76.669   9.0552 11.53983 13.26217 
1 1 1  -20   16   55 o   33.132   9.2583   5.1034   5.9310   6.7210   9.9533   4.2129   7.3853   35.859   14.059   30.405   12.050 5.454124 18.51668 
1 1 1  -20   16   56 o  132.089   6.6709  123.391   11.531  123.152   14.552  123.795   18.902  132.660   8.0949  131.518   10.605 1.141525 13.34176 
1 1 1  -20   16   57 o  113.524   7.3036   96.486   10.523  108.547   13.376   76.896   17.047  124.519   7.9269  102.529   12.269 21.99007 14.60710 
1 1 1  -20   16   58 f   58.219   9.7197   25.305   7.5648   18.822   9.8749   34.515   11.769   49.259   14.085   67.179   13.398 -17.91980 19.43950 
1 1 1  -20   16   59 o   58.355   9.7851   26.365   7.5510   25.544   9.9244   27.495   11.636   57.649   13.012   59.061   14.618 -1.412312 19.57022 
1 1 1  -20   16   60 o   36.794   10.013   7.6935   7.0592   4.8232   9.4161   11.377   10.667   33.076   13.435   40.511   14.851 -7.435261 20.02581 
1 1 1  -20   16   61 o   91.833   7.2406   58.070   8.7943   46.243   11.133   77.702   14.343   79.966   10.273  103.700   10.206 -23.73309 14.48122 
1 1 1  -20   16   62 o   30.720   9.2352   2.1234   6.7185   3.4930   8.9137   0.3218   10.223   31.157   12.906   30.283   13.213 0.8739681 18.47047 
1 1 1  -20   16   63 o   47.158   10.367   17.787   7.3604   19.435   9.7619   15.617   11.205   49.473   13.955   44.842   15.336 4.631588 20.73495 
1 1 1  -20   16   64 o   77.896   10.185   50.140   10.148   32.155   14.992   65.346   13.786   61.422   17.284   94.371   10.780 -32.94898 20.36978 
1 1 1  -20   16   65 f   80.417   9.7541   48.961   10.271   60.748   16.211   41.055   13.276   88.933   13.451   71.900   14.129 17.03345 19.50820 
1 1 1  -20   16   66 o   50.048   15.656   20.697   11.795   0.0000   0.0000   20.697   11.795  ?   ?    50.048   15.656      ?      ? 
1 1 1  -20   16   67 o   41.225   15.143   12.661   11.099   0.0000   0.0000   12.661   11.099  ?   ?    41.225   15.143      ?      ? 
1 1 1  -20   16   68 o   64.992   14.539   34.483   12.485   0.0000   0.0000   34.483   12.485  ?   ?    64.992   14.539      ?      ? 
1 1 1  -20   17    1 o  148.005   7.7086  162.938   12.728  173.626   14.667  130.342   25.613  159.469   6.7873  136.541   13.843 22.92821 15.41714 
1 1 1  -20   17    2 o  197.793   6.7810  259.323   15.758  249.986   18.069  288.987   32.205  191.319   6.9692  204.266   11.634 -12.94656 13.56197 
1 1 1  -20   17    3 o  291.899   5.2791  581.227   20.829  565.251   28.305  600.094   30.761  287.604   7.2625  296.194   7.6637 -8.589233 10.55826 
1 1 1  -20   17    4 o  134.018   5.4243  123.356   9.8093  131.712   13.595  114.281   14.168  138.843   7.2255  129.193   8.0923 9.649902 10.84869 
1 1 1  -20   17    5 o  142.344   5.2748  138.738   10.156  144.018   14.131  133.095   14.608  145.197   7.1816  139.492   7.7278 5.704910 10.54962 
1 1 1  -20   17    6 o  144.086   5.2733  141.715   10.288  134.457   14.278  149.556   14.839  140.244   7.5125  147.928   7.4021 -7.683975 10.54654 
1 1 1  -20   17    7 o   95.448   6.3145   62.940   8.0063   78.843   11.508   48.021   11.146  107.344   7.9110   83.552   9.8443 23.79215 12.62910 
1 1 1  -20   17    8 o  103.598   6.1548   74.359   7.9287   75.593   9.5332   71.590   14.280  105.257   6.6835  101.940   10.337 3.317055 12.30960 
1 1 1  -20   17    9 o  126.533   5.5179  101.755   8.7344   90.803   10.287  130.037   16.532  115.374   6.5799  137.692   8.8598 -22.31773 11.03587 
1 1 1  -20   17   10 o   52.267   9.0484   17.633   6.1595   12.764   7.4899   27.804   10.826   42.442   12.306   62.092   13.269 -19.65030 18.09676 
1 1 1  -20   17   11 o  119.301   5.7206   95.362   8.5296   92.233   10.171  102.775   15.658  116.294   6.4541  122.309   9.4469 -6.014633 11.44112 
1 1 1  -20   17   12 o   96.243   6.3417   64.299   7.6650   65.612   9.2988   61.514   13.539   98.029   6.9999   94.458   10.577 3.571434 12.68339 
1 1 1  -20   17   13 o  103.131   6.1728   73.236   8.0153   73.774   9.7102   72.086   14.200  103.958   6.8926  102.304   10.242 1.654381 12.34568 
1 1 1  -20   17   14 o  143.680   6.1614  141.552   11.855  141.529   15.618  141.585   18.210  143.797   8.0148  143.563   9.3602 0.2341461 12.32274 
1 1 1  -20   17   15 o  148.381   6.1526  152.387   12.193  160.812   16.218  141.433   18.491  153.315   7.8059  143.447   9.5124 9.868073 12.30520 
1 1 1  -20   17   16 o  119.523   6.3094  103.305   9.4342  114.488   11.725   82.768   15.889  129.525   6.6798  109.521   10.706 20.00430 12.61879 
1 1 1  -20   17   17 o  289.463   5.8348  572.416   20.567  570.398   24.243  577.597   38.847  289.248   6.1849  289.678   9.8959 -0.4303284 11.66968 
1 1 1  -20   17   18 o  193.344   6.0870  263.077   15.448  291.700   20.247  223.194   23.900  206.604   7.2316  180.084   9.7934 26.51935 12.17402 
1 1 1  -20   17   19 o  161.729   5.4879  170.793   11.154  158.335   13.256  200.997   20.641  152.345   6.4211  171.112   8.9015 -18.76624 10.97575 
1 1 1  -20   17   20 o  115.755   5.9223   87.702   8.8378   79.329   10.732  105.351   15.580  107.713   7.3521  123.797   9.2867 -16.08363 11.84464 
1 1 1  -20   17   21 o  203.036   5.9801  281.028   16.454  281.028   16.454   0.0000   0.0000  203.036   5.9801  ?   ?       ?      ? 
1 1 1  -20   17   22 o  132.551   6.6908  119.976   12.018  119.976   12.018   0.0000   0.0000  132.551   6.6908  ?   ?       ?      ? 
1 1 1  -20   17   23 o   67.217   8.3024   32.225   7.1001   33.243   8.9913   30.539   11.572   69.484   9.5489   64.951   13.585 4.533615 16.60483 
1 1 1  -20   17   24 o   68.833   8.0993   32.711   7.1443   30.900   8.9509   35.889   11.859   66.944   9.8668   70.723   12.847 -3.779190 16.19868 
1 1 1  -20   17   25 o   89.064   6.8297   53.571   7.9685   50.582   9.9412   58.942   13.327   85.823   8.5478   92.304   10.654 -6.481033 13.65947 
1 1 1  -20   17   26 f   59.567   12.442   25.607   9.7190   25.607   9.7190   0.0000   0.0000   59.567   12.442  ?   ?       ?      ? 
1 1 1  -20   17   27 o   44.612   9.9449   13.159   6.7399   9.4368   8.7864   18.481   10.506   38.664   13.561   50.560   14.550 -11.89542 19.88977 
1 1 1  -20   17   28 o  137.932   6.3966  131.508   11.888  136.588   16.176  125.542   17.530  140.976   8.4673  134.887   9.5901 6.089111 12.79320 
1 1 1  -20   17   29 o   88.570   7.8565   54.763   9.3210   45.015   13.073   64.842   13.293   80.329   12.009   96.811   10.133 -16.48208 15.71303 
1 1 1  -20   17   30 o   50.252   10.031   18.681   8.8282  -5.1366   15.013   31.268   10.915   34.703   15.530   65.802   12.700 -31.09948 20.06184 
1 1 1  -20   17   31 o   40.193   9.8091   7.7683   7.8093  -7.3158   11.946   19.024   10.320   29.292   13.403   51.093   14.326 -21.80143 19.61827 
1 1 1  -20   17   32 o   54.867   11.778   22.765   9.3990   15.055   17.447   25.918   11.156   50.320   18.890   59.413   14.073 -9.092644 23.55603 
1 1 1  -20   17   33 o  174.943   7.4052  214.365   17.118  204.337   27.033  221.077   22.117  170.975   11.668  178.911   9.1224 -7.935211 14.81045 
1 1 1  -20   17   34 o   61.310   8.9960   26.315   7.1298   21.491   9.1276   33.865   11.419   54.254   12.648   68.367   12.796 -14.11286 17.99203 
1 1 1  -20   17   35 o   38.990   9.7825   9.5936   6.5698   11.952   8.6357   6.3534   10.123   41.497   13.446   36.484   14.213 5.012741 19.56504 
1 1 1  -20   17   36 o  177.269   5.6515  217.232   12.619  218.626   15.293  214.259   22.337  178.706   6.3148  175.832   9.3745 2.874039 11.30297 
1 1 1  -20   17   37 o  201.933   5.6068  281.085   14.161  281.274   17.038  280.662   25.467  202.697   6.2027  201.169   9.3420 1.527054 11.21368 
1 1 1  -20   17   38 o   75.586   9.6481   39.723   9.8824   39.723   9.8824   0.0000   0.0000   75.586   9.6481  ?   ?       ?      ? 
1 1 1  -20   17   39 o  108.359   7.5143   80.875   11.034   80.875   11.034   0.0000   0.0000  108.359   7.5143  ?   ?       ?      ? 
1 1 1  -20   17   40 o   98.524   6.6596   67.301   8.5378   66.645   10.664   68.473   14.250   98.216   8.0119   98.831   10.640 -0.6144485 13.31921 
1 1 1  -20   17   41 o   91.823   7.8601   57.725   9.5013   41.289   12.455   80.606   14.695   76.313   12.044  107.333   10.103 -31.02024 15.72014 
1 1 1  -20   17   42 o   67.385   13.186   33.501   11.610   33.501   11.610   0.0000   0.0000   67.385   13.186  ?   ?       ?      ? 
1 1 1  -20   17   43 o   54.208   12.947   21.851   9.3803   21.851   9.3803   0.0000   0.0000   54.208   12.947  ?   ?       ?      ? 
1 1 1  -20   17   44 o   78.534   8.5557   48.404   8.0421   58.055   10.214   32.662   13.045   91.434   8.2434   65.634   14.995 25.80033 17.11150 
1 1 1  -20   17   45 f   68.118   8.3078   32.858   7.3229   30.464   9.2868   36.792   11.907   65.695   10.432   70.541   12.933 -4.845245 16.61568 
1 1 1  -20   17   46 o  111.549   6.0378   85.153   8.7407   81.310   10.795   92.471   14.895  108.374   7.3502  114.723   9.5811 -6.348938 12.07569 
1 1 1  -20   17   47 o   28.373   8.7118  -0.2645   6.1518   0.0806   8.0424  -0.7512   9.5506   27.537   11.868   29.210   12.757 -1.673000 17.42367 
1 1 1  -20   17   48 o   92.587   7.4451   61.085   9.2923   62.649   12.628   59.238   13.723   94.134   9.8992   91.040   11.123 3.094391 14.89026 
1 1 1  -20   17   49 o   61.919   8.6894   26.573   7.0618   18.273   8.9709   40.096   11.451   49.104   13.198   74.734   11.307 -25.63035 17.37875 
1 1 1  -20   17   50 o  106.118   6.0681   75.602   8.3613   67.803   10.236   91.240   14.494   98.629   7.6587  113.606   9.4144 -14.97693 12.13622 
1 1 1  -20   17   51 o   77.130   7.7675   44.859   7.4241   49.448   9.4196   37.336   12.062   83.962   8.2788   70.298   13.145 13.66386 15.53502 
1 1 1  -20   17   52 o   45.690   9.4884   14.404   6.4514   8.2691   8.2779   23.895   10.296   35.771   13.087   55.610   13.742 -19.83934 18.97677 
1 1 1  -20   17   53 f   43.955   10.142   13.876   7.0597   9.4041   9.4139   19.622   10.672   37.822   13.938   50.089   14.737 -12.26702 20.28432 
1 1 1  -20   17   54 o   42.565   14.123   13.562   9.5060   13.562   9.5060   0.0000   0.0000   42.565   14.123  ?   ?       ?      ? 
1 1 1  -20   17   55 o   40.173   10.091   11.495   6.8506   11.639   9.0004   11.297   10.562   39.978   13.742   40.367   14.781 -0.3890266 20.18225 
1 1 1  -20   17   56 o   37.480   9.9760   8.9076   6.8422   7.3997   9.0563   10.913   10.444   35.160   13.513   39.800   14.679 -4.640694 19.95191 
1 1 1  -20   17   57 o   26.176   8.3238  -4.4473   6.5310   1.9752   8.8149 -12.2636   9.7245   29.727   12.607   22.625   10.872 7.102465 16.64767 
1 1 1  -20   17   58 o   93.725   7.1591   61.912   8.9450   54.120   11.459   74.066   14.312   86.601   9.7643  100.849   10.472 -14.24802 14.31812 
1 1 1  -20   17   59 o   43.678   10.384   14.341   7.1916   11.853   9.3572   17.931   11.241   40.034   13.998   47.323   15.341 -7.288353 20.76708 
1 1 1  -20   17   60 o   36.945   9.9612   8.7050   7.1281   12.056   9.2477   3.7996   11.189   40.148   13.922   33.741   14.250 6.407280 19.92237 
1 1 1  -20   17   61 o   34.969   9.8511   6.8500   6.9137   7.2973   8.8299   6.1415   11.115   34.508   13.321   35.430   14.516 -0.9228172 19.70228 
1 1 1  -20   17   62 o   74.892   13.984   44.585   13.671   0.0000   0.0000   44.585   13.671  ?   ?    74.892   13.984      ?      ? 
1 1 1  -20   17   63 o   47.401   15.561   18.470   11.551   0.0000   0.0000   18.470   11.551  ?   ?    47.401   15.561      ?      ? 
1 1 1  -20   17   64 f   38.044   15.106   9.1508   11.626   0.0000   0.0000   9.1508   11.626  ?   ?    38.044   15.106      ?      ? 
1 1 1  -20   17   65 o   36.871   15.047   7.7108   11.883   0.0000   0.0000   7.7108   11.883  ?   ?    36.871   15.047      ?      ? 
1 1 1  -20   17   66 o   65.345   15.789   36.488   13.826   0.0000   0.0000   36.488   13.826  ?   ?    65.345   15.789      ?      ? 
1 1 1  -20   18    1 o   48.405   9.1419   15.915   6.4235   8.4621   8.4764   25.967   9.8446   37.071   13.288   59.739   12.559 -22.66814 18.28378 
1 1 1  -20   18    2 o  137.953   5.2628  131.424   9.7783  141.260   13.469  120.461   14.219  143.566   6.9231  132.341   7.9285 11.22412 10.52563 
1 1 1  -20   18    3 o  101.171   6.1089   72.379   8.1514   85.585   11.106   56.958   12.002  111.677   7.3386   90.665   9.7683 21.01243 12.21782 
1 1 1  -20   18    4 o   52.571   9.1870   19.529   6.5638   14.207   8.6611   26.710   10.061   44.526   13.320   60.615   12.656 -16.08908 18.37391 
1 1 1  -20   18    5 o  102.596   5.8587   72.260   8.1230   69.904   11.016   75.066   12.025  100.812   8.0638  104.380   8.5014 -3.568863 11.71744 
1 1 1  -20   18    6 o   73.562   7.0196   37.512   6.9840   37.679   9.5981   37.324   10.182   73.789   9.5986   73.334   10.245 0.4547806 14.03924 
1 1 1  -20   18    7 f   87.713   7.3201   54.752   8.3479   59.078   10.691   47.992   13.363   92.606   8.5188   82.820   11.907 9.786407 14.64029 
1 1 1  -20   18    8 o   47.911   9.0142   11.765   6.0583   4.4470   7.1292   30.785   11.493   30.857   11.954   64.966   13.496 -34.10902 18.02836 
1 1 1  -20   18    9 f   45.235   9.4822   14.811   6.0109   15.640   7.2429   12.976   10.774   46.448   11.554   44.023   15.038 2.425209 18.96436 
1 1 1  -20   18   10 o   51.666   10.007   19.551   7.1822   19.950   9.5600   19.034   10.882   52.221   13.433   51.110   14.837 1.111248 20.01439 
1 1 1  -20   18   11 o   43.983   10.141   12.663   7.0448   8.4321   9.3623   18.186   10.696   37.909   13.911   50.056   14.761 -12.14761 20.28282 
1 1 1  -20   18   12 o   39.121   9.6384   9.8876   5.9995   10.531   7.1824   8.4036   10.912   38.878   12.226   39.364   14.903 -0.4863434 19.27675 
1 1 1  -20   18   13 o   93.869   6.4298   58.995   7.5869   56.086   9.0616   65.815   13.875   90.414   7.3959   97.325   10.520 -6.911057 12.85956 
1 1 1  -20   18   14 o   68.344   7.9996   32.032   6.8408   29.991   8.3197   36.293   12.020   65.872   9.3202   70.817   13.004 -4.945015 15.99918 
1 1 1  -20   18   15 o  105.202   6.1407   74.111   8.1842   70.368   9.8388   82.520   14.745  101.304   7.1669  109.100   9.9734 -7.796181 12.28144 
1 1 1  -20   18   16 o   37.549   9.6537   8.1827   6.2110   7.0399   7.8886   10.046   10.074   34.820   12.770   40.277   14.481 -5.456554 19.30733 
1 1 1  -20   18   17 o   93.306   7.6588   59.810   9.6839   59.810   9.6839   0.0000   0.0000   93.306   7.6588  ?   ?       ?      ? 
1 1 1  -20   18   18 o  133.248   6.4238  121.495   11.599  121.495   11.599   0.0000   0.0000  133.248   6.4238  ?   ?       ?      ? 
1 1 1  -20   18   19 f   64.055   8.4845   28.017   6.8124   24.297   8.3401   35.475   11.809   58.152   10.986   69.958   12.933 -11.80629 16.96891 
1 1 1  -20   18   20 o  104.832   6.3163   76.331   8.3717   77.087   10.190   74.762   14.683  106.007   7.0936  103.656   10.453 2.351456 12.63264 
1 1 1  -20   18   21 o   39.605   9.4489   8.0586   6.2157   2.4678   7.7817   17.913   10.331   29.651   12.147   49.559   14.477 -19.90735 18.89786 
1 1 1  -20   18   22 o  124.564   5.7502  100.511   9.1468   89.206   10.971  126.278   16.564  114.012   7.1011  135.117   9.0462 -21.10460 11.50037 
1 1 1  -20   18   23 o  177.981   5.4943  215.411   12.166  211.542   14.508  224.576   22.328  175.850   6.0882  180.111   9.1479 -4.261017 10.98864 
1 1 1  -20   18   24 o   79.735   7.0943   41.893   7.3987   35.871   9.1204   53.485   12.653   71.932   9.3565   87.538   10.667 -15.60623 14.18870 
1 1 1  -20   18   25 o   84.111   8.9280   49.582   10.026   52.447   15.745   47.629   13.003   85.880   13.529   82.343   11.653 3.537056 17.85597 
1 1 1  -20   18   26 o   78.770   8.1818   43.589   8.7225   43.409   12.030   43.788   12.665   78.667   11.285   78.872   11.850 -0.2046890 16.36356 
1 1 1  -20   18   27 o  156.203   5.5402  163.699   10.929  156.231   13.114  180.676   19.772  150.970   6.4101  161.436   9.0380 -10.46603 11.08041 
1 1 1  -20   18   28 o   81.286   7.1956   45.677   7.6104   44.556   9.4720   47.718   12.783   80.210   8.7143   82.363   11.453 -2.153015 14.39116 
1 1 1  -20   18   29 o   60.768   9.4623   26.452   7.8986   16.064   10.681   38.991   11.734   47.169   14.919   74.367   11.644 -27.19813 18.92459 
1 1 1  -20   18   30 o   60.964   9.1273   28.826   7.2167   34.221   9.1512   19.952   11.736   70.074   9.6369   51.853   15.504 18.22038 18.25469 
1 1 1  -20   18   31 o   88.354   6.7654   53.515   7.7940   51.186   9.6868   57.789   13.125   85.980   8.3138   90.729   10.675 -4.749069 13.53085 
1 1 1  -20   18   32 o   64.873   8.4375   28.121   7.0519   21.248   8.7454   40.896   11.923   53.702   12.284   76.045   11.570 -22.34353 16.87505 
1 1 1  -20   18   33 o   91.050   6.8101   58.242   7.9514   58.952   9.8239   56.893   13.540   92.322   7.8522   89.778   11.129 2.544128 13.62020 
1 1 1  -20   18   34 o   44.236   9.5958   14.528   6.6759   19.330   8.5731   7.1316   10.640   51.076   12.490   37.397   14.571 13.67909 19.19165 
1 1 1  -20   18   35 o   56.638   11.905   23.601   8.8475   23.601   8.8475   0.0000   0.0000   56.638   11.905  ?   ?       ?      ? 
1 1 1  -20   18   36 o  164.089   6.3896  185.216   14.208  185.216   14.208   0.0000   0.0000  164.089   6.3896  ?   ?       ?      ? 
1 1 1  -20   18   37 o  121.795   6.1097  105.589   9.4410  110.195   11.646   96.761   16.124  126.402   6.7990  117.188   10.153 9.214928 12.21942 
1 1 1  -20   18   38 o   59.759   9.0167   26.928   7.0492   29.469   9.0528   23.014   11.235   64.577   10.345   54.941   14.771 9.635189 18.03339 
1 1 1  -20   18   39 o   56.294   9.4487   23.593   6.9330   22.706   8.7624   25.076   11.337   55.294   12.036   57.293   14.569 -1.999489 18.89743 
1 1 1  -20   18   40 o  102.181   6.3402   68.987   8.4199   59.305   10.286   88.654   14.660   92.213   8.2311  112.149   9.6459 -19.93630 12.68045 
1 1 1  -20   18   41 o   83.122   7.2774   49.751   7.7640   51.482   9.6737   46.617   13.015   85.841   8.3160   80.404   11.945 5.436981 14.55477 
1 1 1  -20   18   42 o  141.846   5.7445  138.458   10.350  134.636   12.542  146.619   18.326  139.532   6.6328  144.160   9.3810 -4.627991 11.48901 
1 1 1  -20   18   43 o  107.473   6.1489   76.649   8.6233   65.506   10.592   98.554   14.851   96.797   8.0747  118.149   9.2755 -21.35193 12.29780 
1 1 1  -20   18   44 o  102.752   6.2153   71.342   8.2298   65.190   10.008   84.188   14.462   96.664   7.6403  108.840   9.8055 -12.17592 12.43069 
1 1 1  -20   18   45 f   71.510   8.8676   38.555   8.2631   43.477   11.274   32.842   12.146   77.783   10.696   65.237   14.147 12.54666 17.73512 
1 1 1  -20   18   46 o   43.272   11.062   11.590   8.2610   20.041   13.595   6.6426   10.402   50.596   16.894   35.949   14.284 14.64736 22.12322 
1 1 1  -20   18   47 o   35.726   9.3403   4.4065   6.8103  -5.0800   9.1304   16.303   10.225   25.389   11.654   46.062   14.600 -20.67352 18.68061 
1 1 1  -20   18   48 o   30.915   9.2011   0.8978   6.9560   7.1715   9.5659  -6.1419   10.133   35.526   13.823   26.305   12.148 9.221045 18.40212 
1 1 1  -20   18   49 o   32.508   14.476  -1.5016   12.873  -1.5016   12.873   0.0000   0.0000   32.508   14.476  ?   ?       ?      ? 
1 1 1  -20   18   50 o   39.348   16.214   7.4762   13.966   7.4762   13.966   0.0000   0.0000   39.348   16.214  ?   ?       ?      ? 
1 1 1  -20   18   51 o   60.146   12.836   27.937   10.143   27.937   10.143   0.0000   0.0000   60.146   12.836  ?   ?       ?      ? 
1 1 1  -20   18   52 o   51.353   10.025   19.365   7.4402   11.535   9.5756   31.295   11.819   39.877   14.141   62.829   14.214 -22.95189 20.05001 
1 1 1  -20   18   53 o   48.556   10.350   18.080   7.2934   14.495   9.3618   23.615   11.633   43.254   13.998   53.858   15.249 -10.60416 20.69964 
1 1 1  -20   18   54 o   84.860   7.5896   50.643   8.5214   43.077   10.724   63.603   14.035   76.876   10.294   92.845   11.155 -15.96863 15.17924 
1 1 1  -20   18   55 o   34.108   9.5547   4.0422   6.8338  -2.0572   8.8718   12.942   10.716   26.594   11.917   41.621   14.938 -15.02746 19.10949 
1 1 1  -20   18   56 o   42.583   9.4772   9.5795   7.1207  -1.6670   9.0989   27.352   11.438   27.151   12.125   58.016   14.569 -30.86498 18.95434 
1 1 1  -20   18   57 o   62.468   11.038   33.649   9.6396   22.984   14.475   42.147   12.922   51.852   17.432   73.085   13.546 -21.23293 22.07621 
1 1 1  -20   18   58 o   52.502   10.568   22.865   9.1959   6.3631   13.633   36.641   12.456   37.477   15.774   67.527   14.069 -30.04995 21.13643 
1 1 1  -20   18   59 o   38.692   14.913   10.251   11.054   0.0000   0.0000   10.251   11.054  ?   ?    38.692   14.913      ?      ? 
1 1 1  -20   18   60 o   46.519   15.527   17.956   11.484   0.0000   0.0000   17.956   11.484  ?   ?    46.519   15.527      ?      ? 
1 1 1  -20   18   61 f   57.291   15.725   28.157   12.579   0.0000   0.0000   28.157   12.579  ?   ?    57.291   15.725      ?      ? 
1 1 1  -20   18   62 o   19.460   9.6569 -20.3894   9.7239   0.0000   0.0000 -20.3894   9.7239  ?   ?    19.460   9.6569      ?      ? 
1 1 1  -20   18   63 o   43.507   15.787   15.678   12.010   0.0000   0.0000   15.678   12.010  ?   ?    43.507   15.787      ?      ? 
1 1 1  -20   19    1 o  104.555   5.7195   75.515   8.0599   73.132   10.782   78.533   12.135  102.793   7.7399  106.316   8.4228 -3.522575 11.43898 
1 1 1  -20   19    2 o   65.436   7.4724   29.993   6.5787   28.823   8.7286   31.532   10.010   64.085   10.051   66.787   11.060 -2.701996 14.94476 
1 1 1  -20   19    3 o   74.225   7.4588   40.971   6.9115   52.418   9.4608   27.871   10.121   86.979   8.0266   61.471   12.574 25.50733 14.91753 
1 1 1  -20   19    4 o   94.022   6.0295   61.112   7.6456   58.527   10.240   64.368   11.493   91.867   8.2257   96.177   8.8180 -4.310661 12.05898 
1 1 1  -20   19    5 f   49.699   8.0247   15.450   6.2791   1.9097   8.2398   34.204   9.6973   29.602   12.348   69.796   10.253 -40.19392 16.04943 
1 1 1  -20   19    6 o   28.784   9.2195  -4.2917   7.1797  -3.3302   12.808  -4.7322   8.6698   32.324   14.414   25.243   11.499 7.080812 18.43890 
1 1 1  -20   19    7 o   76.590   8.0105   40.757   8.1460   38.037   10.386   45.103   13.130   73.577   10.417   79.603   12.172 -6.025963 16.02102 
1 1 1  -20   19    8 o   35.015   9.4233   5.5475   5.7049   3.5531   6.7308   10.636   10.751   29.042   11.506   40.989   14.927 -11.94702 18.84655 
1 1 1  -20   19    9 o   67.662   8.0311   30.723   6.6263   27.645   7.8267   38.512   12.451   62.983   9.1700   72.341   13.187 -9.357841 16.06221 
1 1 1  -20   19   10 o   83.733   6.7606   41.512   7.0468   30.230   8.2381   72.279   13.604   65.850   9.2318  101.616   9.8791 -35.76586 13.52121 
1 1 1  -20   19   11 f   51.792   9.3363   18.534   6.2169   15.803   7.4793   24.640   11.183   46.334   11.861   57.249   14.421 -10.91521 18.67253 
1 1 1  -20   19   12 o   39.739   9.4816   8.5742   5.8775   4.5611   7.0600   17.635   10.609   30.658   11.890   48.820   14.772 -18.16150 18.96317 
1 1 1  -20   19   13 o   75.359   7.4463   37.881   6.9204   35.193   8.1174   45.032   13.241   71.215   8.4113   79.503   12.290 -8.287331 14.89259 
1 1 1  -20   19   14 o   43.495   12.212   13.874   7.4935   13.874   7.4935   0.0000   0.0000   43.495   12.212  ?   ?       ?      ? 
1 1 1  -20   19   15 o   47.264   9.1785   11.339   6.1869   3.9054   7.2673   30.911   11.793   30.188   11.957   64.340   13.929 -34.15203 18.35705 
1 1 1  -20   19   16 o   96.843   6.5690   66.914   7.7938   69.111   9.3264   61.827   14.190  100.177   6.8702   93.509   11.198 6.667694 13.13795 
1 1 1  -20   19   17 o   69.410   7.6627   31.783   6.7604   28.056   8.0706   40.550   12.377   63.375   9.3974   75.446   12.106 -12.07154 15.32548 
1 1 1  -20   19   18 o   61.153   8.8681   26.016   6.6714   23.324   7.9839   32.244   12.145   56.672   10.790   65.635   14.076 -8.962540 17.73615 
1 1 1  -20   19   19 o   98.327   6.3431   62.369   7.8374   54.911   9.2555   81.268   14.733   89.089   7.6664  107.566   10.108 -18.47662 12.68613 
1 1 1  -20   19   20 o   48.710   11.093   17.443   8.3162   17.405   12.088   17.478   11.459   48.748   15.914   48.671   15.459 0.7759476E-01 22.18656 
1 1 1  -20   19   21 o   81.836   7.7496   47.685   8.4399   49.191   11.067   45.593   13.048   83.751   9.7513   79.921   12.047 3.829933 15.49911 
1 1 1  -20   19   22 o   55.572   9.0294   22.266   6.4716   20.079   8.1013   26.123   10.758   52.162   11.744   58.982   13.719 -6.820358 18.05886 
1 1 1  -20   19   23 o   49.275   9.3340   18.907   6.4599   22.454   8.1693   12.987   10.553   55.347   11.275   43.204   14.879 12.14351 18.66797 
1 1 1  -20   19   24 o   71.237   7.9166   32.360   7.0359   21.771   8.5269   54.951   12.455   54.256   11.923   88.218   10.418 -33.96273 15.83321 
1 1 1  -20   19   25 o   80.494   7.9176   45.781   8.5985   43.056   11.522   49.206   12.918   77.903   10.914   83.085   11.474 -5.181900 15.83523 
1 1 1  -20   19   26 o   60.107   9.8934   27.982   8.0087   34.333   10.887   20.492   11.823   68.299   12.211   51.914   15.569 16.38504 19.78683 
1 1 1  -20   19   27 o   53.152   9.6380   19.906   6.6962   16.460   8.1826   26.892   11.651   46.946   12.599   59.357   14.589 -12.41077 19.27592 
1 1 1  -20   19   28 o   41.312   9.7348   10.790   6.3420   6.8020   7.9574   17.735   10.500   34.102   12.766   48.522   14.700 -14.42022 19.46953 
1 1 1  -20   19   29 o  111.539   6.0750   83.263   8.6889   76.151   10.509   98.625   15.446  104.781   7.4014  118.297   9.6354 -13.51669 12.14992 
1 1 1  -20   19   30 o   65.015   8.3309   28.536   6.9483   22.276   8.5445   40.757   11.939   54.723   11.864   75.307   11.699 -20.58422 16.66185 
1 1 1  -20   19   31 o   57.811   9.0510   22.940   6.7495   16.423   8.3253   35.436   11.529   46.726   12.779   68.896   12.820 -22.16991 18.10190 
1 1 1  -20   19   32 o   48.755   12.299   17.874   8.1253   17.874   8.1253   0.0000   0.0000   48.755   12.299  ?   ?       ?      ? 
1 1 1  -20   19   33 o   48.717   10.050   18.094   6.8225   18.451   8.3330   17.368   11.882   49.452   12.445   47.983   15.784 1.468754 20.09974 
1 1 1  -20   19   34 o   84.858   7.0359   48.268   7.7847   41.127   9.5500   62.409   13.439   76.314   9.2345   93.402   10.618 -17.08724 14.07187 
1 1 1  -20   19   35 o   67.669   8.5262   33.280   7.1945   32.246   8.7853   35.386   12.536   67.415   9.6165   67.924   14.082 -0.5093536 17.05232 
1 1 1  -20   19   36 o   74.604   8.1497   40.097   8.1025   38.988   10.496   41.732   12.746   73.748   10.503   75.460   12.464 -1.711807 16.29940 
1 1 1  -20   19   37 o   52.297   10.075   20.543   7.3542   15.779   9.6343   27.195   11.384   45.508   14.136   59.085   14.359 -13.57699 20.14928 
1 1 1  -20   19   38 o   61.700   9.5861   28.419   7.7899   21.476   10.205   38.112   12.058   52.522   14.060   70.878   13.034 -18.35542 19.17219 
1 1 1  -20   19   39 o   25.406   8.2462  -5.0692   6.4571  -5.2913   8.9362  -4.8265   9.3407   24.944   11.479   25.868   11.842 -0.9241791 16.49246 
1 1 1  -20   19   40 o   53.345   10.163   22.540   7.4912   23.780   9.8449   20.835   11.546   55.442   13.279   51.247   15.390 4.195282 20.32640 
1 1 1  -20   19   41 o   37.808   9.8656   9.2159   6.8776   12.926   9.3966   4.9344   10.094   41.694   14.045   33.923   13.859 7.771320 19.73111 
1 1 1  -20   19   42 o   67.953   10.489   39.453   9.6563   21.962   15.208   51.266   12.499   52.028   17.865   83.878   10.996 -31.85058 20.97759 
1 1 1  -20   19   43 o   55.174   11.527   23.483   8.9894   31.783   14.989   18.822   11.234   61.665   17.257   48.683   15.287 12.98191 23.05456 
1 1 1  -20   19   44 o   49.245   8.5825   18.328   7.4555   34.194   9.9117  -2.3457   11.314   68.520   10.675   29.970   13.442 38.54970 17.16495 
1 1 1  -20   19   45 f   34.286   9.1475   4.2909   6.8583   14.448   9.2972  -7.8345   10.158   43.272   13.944   25.299   11.844 17.97247 18.29494 
1 1 1  -20   19   46 o   30.942   9.3099   2.1945   6.8113   1.5693   9.2085   2.9497   10.121   29.837   12.776   32.047   13.545 -2.209949 18.61984 
1 1 1  -20   19   47 o   32.502   9.6019   3.7769   7.0538   4.6913   9.4480   2.6254   10.603   32.711   13.391   32.293   13.765 0.4181786 19.20374 
1 1 1  -20   19   48 o   79.313   10.531   46.050   11.319   46.050   11.319   0.0000   0.0000   79.313   10.531  ?   ?       ?      ? 
1 1 1  -20   19   49 o   97.529   7.5183   69.584   9.6770   68.638   12.355   71.086   15.566   97.533   9.3475   97.526   11.778 0.6942749E-02 15.03657 
1 1 1  -20   19   50 o   52.933   11.035   23.671   9.3185   11.069   14.006   33.680   12.482   41.380   16.532   64.486   14.621 -23.10595 22.06986 
1 1 1  -20   19   51 o   40.817   11.198   11.220   8.7565   13.738   13.577   9.4276   11.458   43.244   16.563   38.389   15.074 4.855415 22.39588 
1 1 1  -20   19   52 o   63.514   10.536   34.978   10.181   13.207   15.116   53.056   13.774   43.339   17.219   83.690   12.146 -40.35082 21.07187 
1 1 1  -20   19   53 o   34.505   10.428   1.5646   8.8331   10.997   13.580  -5.3532   11.630   40.748   16.279   28.262   13.038 12.48548 20.85692 
1 1 1  -20   19   54 o   32.254   10.016  -2.7400   8.6731   9.5594   13.544 -11.2886   11.292   39.478   16.082   25.029   11.943 14.44857 20.03206 
1 1 1  -20   19   55 o   27.152   8.9368  -9.0493   8.4487 -21.3272   12.981  -0.0263   11.128   23.768   11.673   30.535   13.536 -6.767551 17.87366 
1 1 1  -20   19   56 o   32.629   14.129   2.6890   11.510   0.0000   0.0000   2.6890   11.510  ?   ?    32.629   14.129      ?      ? 
1 1 1  -20   19   57 f   36.553   15.407   6.6791   13.035   0.0000   0.0000   6.6791   13.035  ?   ?    36.553   15.407      ?      ? 
1 1 1  -20   19   60 o   41.347   16.141   13.763   13.076   0.0000   0.0000   13.763   13.076  ?   ?    41.347   16.141      ?      ? 
1 1 1  -20   19   61 o   48.243   16.615   21.614   13.160   0.0000   0.0000   21.614   13.160  ?   ?    48.243   16.615      ?      ? 
1 1 1  -20   20    1 o   26.047   11.844  -4.1977   9.1424   0.0000   0.0000  -4.1977   9.1424  ?   ?    26.047   11.844      ?      ? 
1 1 1  -20   20    2 o   55.269   13.979   23.574   10.477   0.0000   0.0000   23.574   10.477  ?   ?    55.269   13.979      ?      ? 
1 1 1  -20   20    3 o   30.721   9.2295   1.2581   6.7828  -1.6361   9.5818   4.1652   9.6029   28.428   12.583   33.015   13.506 -4.587282 18.45910 
1 1 1  -20   20    4 o   44.608   8.9546   12.843   7.0350  -1.9273   9.9725   27.475   9.9255   28.810   12.790   60.405   12.536 -31.59497 17.90918 
1 1 1  -20   20    5 o   53.347   9.8483   21.351   7.3679   29.566   11.001   14.668   9.9219   62.321   13.423   44.374   14.415 17.94664 19.69665 
1 1 1  -20   20    6 o   85.231   7.4328   51.671   8.5245   54.023   12.948   49.871   11.325   86.716   11.018   83.746   9.9795 2.970566 14.86569 
1 1 1  -20   20    7 o   75.139   7.9116   37.811   7.5883   32.789   9.0846   49.402   13.802   67.948   9.8661   82.330   12.371 -14.38148 15.82314 
1 1 1  -20   20    8 o   43.592   9.9811   11.081   6.6191   5.6934   7.9511   23.244   11.946   32.656   12.631   54.528   15.458 -21.87172 19.96228 
1 1 1  -20   20    9 o   25.637   11.185  -0.6200   7.3234  -0.6200   7.3234   0.0000   0.0000   25.637   11.185  ?   ?       ?      ? 
1 1 1  -20   20   10 o   23.334   10.556  -3.1822   7.1503  -3.1822   7.1503   0.0000   0.0000   23.334   10.556  ?   ?       ?      ? 
1 1 1  -20   20   11 o   41.763   9.9930   12.776   6.6992   14.685   8.1662   8.8460   11.715   44.193   12.860   39.333   15.299 4.859596 19.98592 
1 1 1  -20   20   12 o   51.728   10.104   19.709   7.0458   17.357   8.6877   24.230   12.043   47.813   13.045   55.642   15.432 -7.828793 20.20744 
1 1 1  -20   20   13 o   67.705   8.6606   33.271   7.4830   31.755   9.3442   35.981   12.495   66.719   10.335   68.690   13.900 -1.971313 17.32114 
1 1 1  -20   20   14 o   63.843   8.8534   27.115   7.4585   13.749   9.2907   51.344   12.509   43.102   13.944   84.584   10.913 -41.48200 17.70673 
1 1 1  -20   20   15 o   62.398   10.502   30.241   8.7506   31.532   12.581   29.032   12.179   63.712   14.847   61.083   14.856 2.628262 21.00323 
1 1 1  -20   20   16 o   29.385   8.9680  -0.2321   6.4158  -2.6534   8.2541   3.4638   10.198   25.640   11.492   33.130   13.771 -7.490120 17.93603 
1 1 1  -20   20   17 o   43.265   10.189   12.757   6.8731   9.3712   8.6522   18.547   11.315   37.444   13.424   49.087   15.331 -11.64282 20.37793 
1 1 1  -20   20   18 o   61.489   9.3068   27.885   7.3513   24.896   9.2906   32.890   12.022   57.503   12.295   65.474   13.975 -7.970783 18.61369 
1 1 1  -20   20   19 o   37.128   9.9476   8.3859   6.8082   9.0223   8.7536   7.4114   10.832   37.080   13.474   37.176   14.638 -0.9597778E-01 19.89514 
1 1 1  -20   20   20 o   26.036   8.3171  -5.4936   6.1323  -9.8057   7.7297   1.8294   10.073   20.467   9.7975   31.605   13.443 -11.13769 16.63426 
1 1 1  -20   20   21 o   28.065   9.0774  -8.4085   7.7666   1.5067   12.193 -15.1781   10.075   33.914   14.614   22.216   10.771 11.69792 18.15475 
1 1 1  -20   20   22 o   31.357   9.7502  -0.8762   7.8730   1.2109   12.359  -2.3017   10.214   33.882   14.657   28.831   12.863 5.051529 19.50031 
1 1 1  -20   20   23 o   47.278   9.4329   13.328   7.0045   3.0699   8.7882   31.195   11.598   30.933   12.815   63.622   13.846 -32.68940 18.86582 
1 1 1  -20   20   24 o   69.930   8.6913   36.380   7.7500   36.479   9.7930   36.216   12.677   71.387   10.123   68.474   14.131 2.912766 17.38270 
1 1 1  -20   20   25 o   57.103   9.4697   26.154   7.4287   32.064   9.6019   17.343   11.725   66.718   10.620   47.488   15.682 19.23005 18.93943 
1 1 1  -20   20   26 o   52.990   9.7157   19.688   7.2762   10.972   9.2267   34.023   11.833   39.456   13.893   66.524   13.586 -27.06877 19.43149 
1 1 1  -20   20   27 o   76.476   8.1987   40.206   8.0007   29.240   10.007   59.637   13.320   62.159   12.315   90.793   10.826 -28.63482 16.39736 
1 1 1  -20   20   28 o   25.189   11.463  -3.9219   8.5856  -3.9219   8.5856   0.0000   0.0000   25.189   11.463  ?   ?       ?      ? 
1 1 1  -20   20   29 o   85.932   9.3058   52.623   10.837   52.623   10.837   0.0000   0.0000   85.932   9.3058  ?   ?       ?      ? 
1 1 1  -20   20   30 o   93.817   7.3470   62.030   9.1446   56.482   11.609   71.100   14.844   88.823   9.6448   98.811   11.085 -9.987755 14.69390 
1 1 1  -20   20   31 o   38.897   10.185   9.3881   7.1133   5.9482   9.2348   14.406   11.154   33.924   13.465   43.871   15.286 -9.946716 20.37073 
1 1 1  -20   20   32 o   38.365   9.1217   7.8657   7.1070   19.922   9.4137  -8.1144   10.838   50.480   13.499   26.251   12.272 24.22879 18.24343 
1 1 1  -20   20   33 o   63.308   9.2619   29.065   7.8127   19.050   10.053   44.340   12.415   49.121   14.261   77.495   11.822 -28.37410 18.52376 
1 1 1  -20   20   34 o   55.413   9.9954   24.328   7.4933   24.342   9.9934   24.308   11.325   55.782   13.390   55.044   14.844 0.7382011 19.99070 
1 1 1  -20   20   35 o   25.799   8.3209  -4.3513   6.4066  -6.3007   8.5682  -1.8797   9.6481   23.605   10.993   27.992   12.494 -4.386726 16.64173 
1 1 1  -20   20   36 o   22.646   7.5943  -8.9705   6.2454  -8.8018   8.5451  -9.1640   9.1507   22.229   10.545   23.062   10.932 -0.8328037 15.18865 
1 1 1  -20   20   37 o   43.537   9.2691   10.557   7.0934  -1.7956   9.2492   28.198   11.053   27.421   12.236   59.654   13.926 -32.23369 18.53822 
1 1 1  -20   20   38 o   37.139   10.062   8.8286   7.0911   9.9541   9.4156   7.3536   10.779   37.926   13.945   36.353   14.510 1.572956 20.12485 
1 1 1  -20   20   39 f   57.417   11.167   27.931   9.1060   22.055   14.184   32.051   11.877   51.430   17.256   63.403   14.178 -11.97263 22.33365 
1 1 1  -20   20   40 o   49.817   11.516   20.157   8.8121   22.044   13.988   18.915   11.347   51.336   17.136   48.298   15.388 3.038219 23.03134 
1 1 1  -20   20   41 o   58.953   11.131   27.241   9.1719   40.374   14.592   18.664   11.793   70.001   15.762   47.906   15.723 22.09547 22.26288 
1 1 1  -20   20   42 f   78.275   10.331   51.586   10.297   33.837   15.581   65.350   13.721   62.385   17.643   94.165   10.753 -31.77962 20.66122 
1 1 1  -20   20   43 o   35.819   10.421   5.3315   8.0238   10.908   12.883   1.7970   10.256   40.557   15.965   31.080   13.398 9.476942 20.84220 
1 1 1  -20   20   44 o   49.221   10.606   19.932   8.8885   5.3442   13.609   30.786   11.738   36.815   15.641   61.628   14.327 -24.81270 21.21106 
1 1 1  -20   20   45 o   42.372   16.397   12.975   13.404   12.975   13.404   0.0000   0.0000   42.372   16.397  ?   ?       ?      ? 
1 1 1  -20   20   46 o   36.325   9.9730   5.2840   8.3769 -11.5466   13.225   16.562   10.826   27.482   13.060   45.168   15.076 -17.68616 19.94605 
1 1 1  -20   20   47 o   42.559   10.952   9.7487   8.7281   26.314   14.299  -0.0882   11.019   54.660   17.259   30.459   13.487 24.20051 21.90380 
1 1 1  -20   20   48 o   68.723   11.211   39.290   10.062   44.472   16.025   35.917   12.929   71.637   16.798   65.809   14.851 5.827400 22.42157 
1 1 1  -20   20   49 o   36.514   10.694   4.2931   8.6082   15.537   14.303  -2.0928   10.779   44.243   16.987   28.785   12.997 15.45723 21.38889 
1 1 1  -20   20   50 o   42.380   10.229   12.777   8.8810  -7.7713   14.430   25.307   11.268   30.077   14.092   54.684   14.831 -24.60725 20.45801 
1 1 1  -20   20   51 f   23.139   8.0798 -22.5681   7.8286  -6.3126   13.423 -30.9487   9.6377   29.514   13.750   16.764   8.4894 12.75049 16.15957 
1 1 1  -20   20   52 o   47.132   11.744   19.787   9.6704   13.338   15.270   24.106   12.496   42.180   17.117   52.084   16.085 -9.903641 23.48865 
1 1 1  -20   20   53 o   29.335   13.226  -1.1826   11.114   0.0000   0.0000  -1.1826   11.114  ?   ?    29.335   13.226      ?      ? 
1 1 1  -20   20   54 o   38.222   15.373   10.383   12.199   0.0000   0.0000   10.383   12.199  ?   ?    38.222   15.373      ?      ? 
1 1 1  -20   20   55 o   62.079   16.447   35.405   14.057   0.0000   0.0000   35.405   14.057  ?   ?    62.079   16.447      ?      ? 
1 1 1  -20   20   56 o   29.238   13.342  -1.8171   11.734   0.0000   0.0000  -1.8171   11.734  ?   ?    29.238   13.342      ?      ? 
1 1 1  -20   20   57 o   45.105   16.061   18.867   12.364   0.0000   0.0000   18.867   12.364  ?   ?    45.105   16.061      ?      ? 
1 1 1  -20   20   58 o   47.887   16.357   22.172   12.747   0.0000   0.0000   22.172   12.747  ?   ?    47.887   16.357      ?      ? 
1 1 1  -20   21    1 o  106.134   7.8229   78.330   10.902   57.440   13.862  112.191   17.649   88.138   11.606  124.131   10.492 -35.99275 15.64580 
1 1 1  -20   21    2 o   82.887   9.0354   50.086   9.6234   36.293   12.450   70.559   15.168   67.948   13.987   97.826   11.442 -29.87776 18.07088 
1 1 1  -20   21    3 o   34.230   9.8671   2.1894   7.4867  -4.6972   9.6165   12.786   11.929   26.183   11.997   42.277   15.669 -16.09447 19.73420 
1 1 1  -20   21    4 o   29.112   9.1255  -2.3260   7.4814   3.4457   9.5875 -11.3123   11.963   31.903   13.314   26.321   12.483 5.582024 18.25110 
1 1 1  -20   21    5 o   95.540   10.848   66.683   14.046   66.683   14.046   0.0000   0.0000   95.540   10.848  ?   ?       ?      ? 
1 1 1  -20   21    6 o   35.019   14.085   6.2193   10.241   6.2193   10.241   0.0000   0.0000   35.019   14.085  ?   ?       ?      ? 
1 1 1  -20   21    7 o   74.041   9.5874   40.831   9.2544   29.193   12.101   57.228   14.363   60.308   14.895   87.774   12.076 -27.46622 19.17486 
1 1 1  -20   21    8 o   49.891   11.053   19.847   8.2400   18.724   10.855   21.375   12.658   48.505   14.994   51.277   16.243 -2.771446 22.10594 
1 1 1  -20   21    9 o   66.694   10.128   34.164   8.8383   27.123   11.558   44.079   13.716   58.235   14.657   75.153   13.982 -16.91841 20.25653 
1 1 1  -20   21   10 o   34.617   9.9927   5.5078   7.3520   5.8918   9.6264   4.9703   11.389   34.139   13.682   35.094   14.567 -0.9557419 19.98540 
1 1 1  -20   21   11 o   69.357   9.9569   37.597   8.9406   36.775   11.723   38.739   13.823   69.119   12.993   69.595   15.091 -0.4758530 19.91382 
1 1 1  -20   21   12 o   43.430   10.758   14.117   8.0583   18.124   10.775   9.0306   12.139   47.804   14.965   39.055   15.458 8.749012 21.51558 
1 1 1  -20   21   13 o   76.906   9.6377   45.684   9.7616   49.175   13.496   41.855   14.136   81.256   12.256   72.556   14.877 8.700012 19.27541 
1 1 1  -20   21   14 f   60.060   10.233   28.710   9.0430   43.030   12.794   14.415   12.783   75.898   12.440   44.221   16.250 31.67680 20.46506 
1 1 1  -20   21   15 o   99.797   8.2345   73.694   11.109   77.842   15.546   69.367   15.879  103.026   11.135   96.569   12.134 6.456589 16.46898 
1 1 1  -20   21   16 o   42.791   9.0480   7.4561   7.9511   29.886   11.343 -14.2122   11.149   61.576   13.920   24.006   11.563 37.57034 18.09605 
1 1 1  -20   21   17 o   40.225   15.227   10.935   11.390   0.0000   0.0000   10.935   11.390  ?   ?    40.225   15.227      ?      ? 
1 1 1  -20   21   18 o   97.194   11.625   69.833   15.311   0.0000   0.0000   69.833   15.311  ?   ?    97.194   11.625      ?      ? 
1 1 1  -20   21   19 o   80.506   9.4736   49.790   10.030   43.290   14.077   56.491   14.294   73.930   14.570   87.082   12.113 -13.15254 18.94711 
1 1 1  -20   21   20 o   41.925   10.648   12.447   8.0274   17.914   11.128   6.5147   11.592   47.428   15.252   36.423   14.862 11.00454 21.29583 
1 1 1  -20   21   21 o   30.030   9.3162  -1.6302   7.5233  -7.7131   10.513   4.7543   10.771   25.858   12.087   34.203   14.179 -8.344435 18.63230 
1 1 1  -20   21   22 o   75.018   9.5379   43.316   9.4661   38.763   13.132   48.241   13.658   69.932   14.338   80.104   12.582 -10.17138 19.07589 
1 1 1  -20   21   23 o   31.333   9.5851  -0.0182   7.6527   6.0212   11.221  -5.2706   10.464   35.626   14.590   27.039   12.435 8.587723 19.17017 
1 1 1  -20   21   24 o   49.010   10.976   18.824   8.9022   28.637   12.423   8.4677   12.762   59.189   15.357   38.832   15.687 20.35654 21.95241 
1 1 1  -20   21   25 o   32.038   13.929   1.2196   11.275   1.2196   11.275   0.0000   0.0000   32.038   13.929  ?   ?       ?      ? 
1 1 1  -20   21   26 o   58.565   9.4693   26.723   8.8638   4.9526   12.470   48.957   12.602   35.866   15.090   81.265   11.443 -45.39852 18.93852 
1 1 1  -20   21   27 o   43.549   10.743   13.266   8.2106   22.154   12.176   5.8538   11.119   51.807   15.858   35.290   14.496 16.51723 21.48526 
1 1 1  -20   21   28 o   32.415   9.8524   2.1258   7.6838   3.9628   11.991   0.8458   10.009   34.637   14.697   30.194   13.125 4.442625 19.70490 
1 1 1  -20   21   29 o   33.291   9.9131   3.8473   7.6179   1.2010   11.914   5.6776   9.9082   32.637   14.251   33.945   13.783 -1.307407 19.82624 
1 1 1  -20   21   30 o   43.752   10.313   14.946   7.8752   4.9352   12.434   21.652   10.176   35.685   15.044   51.820   14.111 -16.13521 20.62645 
1 1 1  -20   21   31 o   32.683   9.8507   3.0749   7.6295   0.6903   12.137   4.6331   9.8104   32.489   14.280   32.877   13.573 -0.3877220 19.70148 
1 1 1  -20   21   32 o   40.990   10.558   12.144   8.1915   2.8148   13.244   17.923   10.425   34.924   15.140   47.057   14.718 -12.13257 21.11502 
1 1 1  -20   21   33 o   77.478   10.388   51.135   10.304   31.785   15.521   66.382   13.778   60.146   17.794   94.810   10.724 -34.66388 20.77609 
1 1 1  -20   21   34 o   42.086   10.939   10.404   8.5863   23.140   13.663   2.0924   11.038   52.051   16.916   32.122   13.873 19.92946 21.87726 
1 1 1  -20   21   35 o   48.864   15.531   19.810   11.564   0.0000   0.0000   19.810   11.564  ?   ?    48.864   15.531      ?      ? 
1 1 1  -20   21   36 o   74.800   13.564   44.395   13.243   0.0000   0.0000   44.395   13.243  ?   ?    74.800   13.564      ?      ? 
1 1 1  -20   21   37 o   55.122   11.167   26.709   9.3288   16.369   14.359   34.262   12.271   45.394   17.118   64.849   14.344 -19.45523 22.33320 
1 1 1  -20   21   38 o   56.717   11.208   25.908   8.9386   37.021   14.388   18.923   11.407   65.800   16.235   47.634   15.455 18.16564 22.41539 
1 1 1  -20   21   39 f   41.229   9.7541   10.802   8.3714 -10.5842   13.370   24.594   10.737   27.920   13.228   54.538   14.338 -26.61825 19.50810 
1 1 1  -20   21   40 o   35.630   10.514   6.2254   8.3440   6.0019   13.167   6.3754   10.786   36.441   15.429   34.819   14.287 1.621948 21.02768 
1 1 1  -20   21   41 o   29.335   13.608  -5.8353   12.929  -5.8353   12.929   0.0000   0.0000   29.335   13.608  ?   ?       ?      ? 
1 1 1  -20   21   42 o   33.262   14.855   0.5069   13.663   0.5069   13.663   0.0000   0.0000   33.262   14.855  ?   ?       ?      ? 
1 1 1  -20   21   43 o   41.410   11.444   12.471   9.0138   16.272   14.963   10.306   11.293   44.557   17.302   38.262   14.983 6.295528 22.88718 
1 1 1  -20   21   44 o   32.173   9.7169   1.3715   8.3665 -14.6731   14.185   9.9303   10.360   27.031   13.025   37.315   14.423 -10.28403 19.43386 
1 1 1  -20   21   45 o   43.328   11.541   15.467   9.0562   16.831   14.615   14.616   11.538   44.525   17.152   42.130   15.445 2.395596 23.08158 
1 1 1  -20   21   46 o   31.941   10.081   0.8764   8.6412   2.2503   14.006   0.0320   10.980   34.020   15.128   29.863   13.329 4.157068 20.16181 
1 1 1  -20   21   47 o   38.210   10.516   9.0177   9.1027  -7.2714   14.712   19.122   11.587   30.000   14.111   46.421   15.596 -16.42149 21.03226 
1 1 1  -20   21   48 o   33.984   10.165   4.8118   8.6542  -7.0728   14.607   11.240   10.742   29.840   14.043   38.128   14.700 -8.287470 20.33014 
1 1 1  -20   21   49 o   28.019   9.3033  -8.8971   8.4316   3.2626   14.311 -15.3618   10.435   34.283   15.265   21.755   10.639 12.52821 18.60662 
1 1 1  -20   21   50 o   28.235   12.817  -1.2885   10.652   0.0000   0.0000  -1.2885   10.652  ?   ?    28.235   12.817      ?      ? 
1 1 1  -20   21   51 o   33.188   14.152   5.7183   11.216   0.0000   0.0000   5.7183   11.216  ?   ?    33.188   14.152      ?      ? 
1 1 1  -20   21   52 o   51.517   16.474   26.072   12.996   0.0000   0.0000   26.072   12.996  ?   ?    51.517   16.474      ?      ? 
1 1 1  -20   21   53 o   33.850   14.502   6.6666   11.876   0.0000   0.0000   6.6666   11.876  ?   ?    33.850   14.502      ?      ? 
1 1 1  -20   21   54 o   34.498   14.654   7.9125   11.940   0.0000   0.0000   7.9125   11.940  ?   ?    34.498   14.654      ?      ? 
1 1 1  -20   21   55 o   40.669   15.980   16.023   12.885   0.0000   0.0000   16.023   12.885  ?   ?    40.669   15.980      ?      ? 
1 1 1  -20   22    1 o   43.622   14.958   15.190   10.660   15.190   10.660   0.0000   0.0000   43.622   14.958  ?   ?       ?      ? 
1 1 1  -20   22    2 o   33.545   9.9031   2.8617   7.6264  -2.5946   9.9604   10.593   11.856   27.614   12.478   39.476   15.381 -11.86240 19.80626 
1 1 1  -20   22    3 o   66.870   10.425   36.754   9.1916   39.266   12.681   33.974   13.342   70.037   13.852   63.703   15.583 6.334053 20.85002 
1 1 1  -20   22    4 o   90.933   8.4439   62.651   10.348   63.979   14.056   61.080   15.291   92.552   11.207   89.315   12.633 3.236816 16.88773 
1 1 1  -20   22    5 o   40.227   10.809   11.229   8.0980   8.8082   10.752   14.402   12.309   37.228   14.608   43.226   15.937 -5.998466 21.61877 
1 1 1  -20   22    6 o   37.656   10.534   8.7123   7.9565   6.9227   10.788   10.847   11.782   35.589   14.406   39.723   15.373 -4.134464 21.06798 
1 1 1  -20   22    7 o   36.513   10.081   6.0730   8.0575   15.630   11.047  -4.7912   11.778   44.243   15.224   28.782   13.221 15.46121 20.16295 
1 1 1  -20   22    8 o   47.345   11.273   18.441   8.5468   17.693   11.700   19.297   12.515   46.514   15.672   48.177   16.208 -1.663292 22.54615 
1 1 1  -20   22    9 o   61.182   11.072   31.765   9.2941   35.687   12.603   27.088   13.761   66.321   14.432   56.043   16.795 10.27819 22.14445 
1 1 1  -20   22   10 o   49.189   11.548   20.189   8.9471   19.278   12.010   21.325   13.412   48.209   15.869   50.168   16.780 -1.959236 23.09523 
1 1 1  -20   22   11 o   48.019   11.389   19.047   8.7363   17.411   12.012   20.883   12.729   46.220   15.876   49.818   16.334 -3.597591 22.77859 
1 1 1  -20   22   12 o   56.275   10.759   26.595   8.7231   34.516   12.209   18.336   12.467   65.369   14.190   47.181   16.176 18.18739 21.51799 
1 1 1  -20   22   13 o   44.467   15.476   15.796   11.432   0.0000   0.0000   15.796   11.432  ?   ?    44.467   15.476      ?      ? 
1 1 1  -20   22   14 o   39.047   14.798   10.704   10.766   0.0000   0.0000   10.704   10.766  ?   ?    39.047   14.798      ?      ? 
1 1 1  -20   22   15 o   48.308   10.216   17.000   8.3409   32.607   12.270   3.5935   11.372   63.134   14.629   33.481   14.263 29.65231 20.43119 
1 1 1  -20   22   16 o   90.365   8.5242   61.916   10.429   59.571   14.814   64.220   14.684   88.420   12.364   92.311   11.738 -3.891640 17.04839 
1 1 1  -20   22   17 o   58.823   10.739   29.306   9.3712   15.125   13.373   42.987   13.136   44.163   16.546   73.483   13.695 -29.32055 21.47856 
1 1 1  -20   22   18 o   41.400   10.891   12.687   8.3178   8.8132   12.249   16.001   11.331   38.203   15.391   44.596   15.414 -6.392990 21.78203 
1 1 1  -20   22   19 o   28.415   9.1598  -3.8808   7.8683  -7.8230   11.787  -0.7124   10.567   27.254   12.759   29.575   13.146 -2.321281 18.31958 
1 1 1  -20   22   20 o   48.384   16.573   19.705   13.086   19.705   13.086   0.0000   0.0000   48.384   16.573  ?   ?       ?      ? 
1 1 1  -20   22   21 o   48.331   16.563   19.694   13.070   19.694   13.070   0.0000   0.0000   48.331   16.563  ?   ?       ?      ? 
1 1 1  -20   22   22 o   35.925   10.235   6.1917   8.1464  -1.7244   12.015   12.927   11.083   30.624   13.784   41.225   15.134 -10.60048 20.47027 
1 1 1  -20   22   23 o   37.188   10.491   8.1769   8.2042   2.9499   12.314   12.349   11.001   33.797   14.625   40.579   15.046 -6.782475 20.98246 
1 1 1  -20   22   24 o   40.566   10.759   11.672   8.5501   3.2073   13.140   17.889   11.260   34.692   15.060   46.440   15.369 -11.74761 21.51765 
1 1 1  -20   22   25 o   60.992   11.410   30.462   9.6670   43.934   15.319   21.546   12.462   71.834   16.131   50.149   16.142 21.68580 22.82039 
1 1 1  -20   22   26 o   38.529   10.606   9.7113   8.4288   1.5278   13.394   15.077   10.845   33.813   14.926   43.245   15.072 -9.431618 21.21242 
1 1 1  -20   22   27 o   53.992   11.672   24.369   9.1101   31.507   15.002   20.199   11.466   59.173   17.491   48.812   15.460 10.36050 23.34366 
1 1 1  -20   22   28 o   38.355   10.911   9.3516   8.5332   10.484   13.643   8.6241   10.936   39.915   16.186   36.794   14.638 3.120575 21.82298 
1 1 1  -20   22   29 o   60.883   11.465   31.918   9.4805   34.723   15.060   30.077   12.201   62.187   17.261   59.579   15.095 2.607857 22.92981 
1 1 1  -20   22   30 f   58.885   11.473   28.466   9.6350   43.914   15.442   18.618   12.329   71.087   16.368   46.683   16.082 24.40403 22.94662 
1 1 1  -20   22   31 o   78.175   12.595   47.717   13.342   0.0000   0.0000   47.717   13.342  ?   ?    78.175   12.595      ?      ? 
1 1 1  -20   22   32 o   37.859   14.831   10.028   11.068   0.0000   0.0000   10.028   11.068  ?   ?    37.859   14.831      ?      ? 
1 1 1  -20   22   33 o   36.765   10.663   5.3626   8.5968   16.676   13.907  -1.6339   10.937   44.533   16.833   28.998   13.092 15.53525 21.32530 
1 1 1  -20   22   34 f   41.220   10.923   9.8671   8.6624   24.838   14.087   0.7632   10.985   51.969   17.190   30.470   13.480 21.49937 21.84518 
1 1 1  -20   22   35 o   40.947   11.009   13.267   8.7912   6.5254   14.080   17.575   11.254   36.742   15.767   45.153   15.370 -8.411198 22.01862 
1 1 1  -20   22   36 o   28.411   9.2544  -3.8176   8.2230 -10.5338   13.785  -0.1075   10.246   27.877   13.273   28.944   12.900 -1.066910 18.50882 
1 1 1  -20   22   37 o   34.304   10.386   5.1395   8.6952  -0.5705   14.384   8.4281   10.916   32.730   14.872   35.878   14.502 -3.147266 20.77239 
1 1 1  -20   22   38 o   48.874   18.047   22.986   15.797   22.986   15.797   0.0000   0.0000   48.874   18.047  ?   ?       ?      ? 
1 1 1  -20   22   39 o   53.520   12.052   25.559   9.7987   37.445   15.929   18.323   12.428   61.949   17.942   45.091   16.098 16.85732 24.10456 
1 1 1  -20   22   40 o   28.118   9.3296  -9.7809   8.5711   4.2516   14.338 -17.5838   10.692   34.850   15.410   21.386   10.521 13.46422 18.65924 
1 1 1  -20   22   41 o   30.204   9.7074  -0.4188   8.4609  -4.7446   14.649   1.7468   10.365   30.549   14.276   29.860   13.158 0.6887283 19.41489 
1 1 1  -20   22   42 o   41.376   11.103   14.862   9.3462   4.0288   15.297   21.315   11.806   34.999   15.668   47.754   15.735 -12.75490 22.20521 
1 1 1  -20   22   43 o   40.243   11.448   11.769   9.1992   22.309   15.837   6.4019   11.301   46.817   17.899   33.670   14.277 13.14729 22.89535 
1 1 1  -20   22   44 o   38.601   11.121   7.7174   9.3262   24.735   15.593  -1.7601   11.637   48.515   17.928   28.687   13.164 19.82745 22.24170 
1 1 1  -20   22   45 f   31.471   10.113  -2.5716   8.8882   12.112   15.511  -9.7499   10.845   38.944   16.626   23.997   11.519 14.94642 20.22591 
1 1 1  -20   22   46 o   36.541   14.852   10.719   11.517   0.0000   0.0000   10.719   11.517  ?   ?    36.541   14.852      ?      ? 
1 1 1  -20   22   47 o   30.757   13.681   3.0051   11.465   0.0000   0.0000   3.0051   11.465  ?   ?    30.757   13.681      ?      ? 
1 1 1  -20   22   48 o   30.906   13.710   3.6040   11.436   0.0000   0.0000   3.6040   11.436  ?   ?    30.906   13.710      ?      ? 
1 1 1  -20   22   49 o   46.957   16.543   23.731   13.083   0.0000   0.0000   23.731   13.083  ?   ?    46.957   16.543      ?      ? 
1 1 1  -20   23    9 o   43.084   15.482   15.698   11.513   0.0000   0.0000   15.698   11.513  ?   ?    43.084   15.482      ?      ? 
1 1 1  -20   23   10 o   35.323   10.240   6.9744   8.0338   2.1862   11.674   11.282   11.073   31.969   14.029   38.676   14.921 -6.707680 20.48070 
1 1 1  -20   23   11 o   46.657   10.628   17.823   8.0596   27.613   12.048   9.8940   10.843   56.025   15.395   37.289   14.657 18.73560 21.25624 
1 1 1  -20   23   12 o   25.046   8.2772  -7.0361   7.1590 -13.8807   10.826  -1.7178   9.5432   23.014   11.160   27.079   12.227 -4.064802 16.55437 
1 1 1  -20   23   13 o   32.535   9.7688   3.9424   7.7068  -1.1903   11.618   7.9756   10.299   29.844   13.482   35.227   14.140 -5.382519 19.53762 
1 1 1  -20   23   14 o   60.630   10.150   32.820   9.1726   15.576   13.518   47.532   12.487   43.117   16.524   78.142   11.792 -35.02497 20.30045 
1 1 1  -20   23   15 o   49.970   11.196   22.545   8.9131   15.269   13.147   28.734   12.125   42.770   16.318   57.170   15.334 -14.40012 22.39267 
1 1 1  -20   23   16 o   26.267   12.538 -10.7611   12.466 -10.7611   12.466   0.0000   0.0000   26.267   12.538  ?   ?       ?      ? 
1 1 1  -20   23   17 o   37.425   15.815   8.1232   13.792   8.1232   13.792   0.0000   0.0000   37.425   15.815  ?   ?       ?      ? 
1 1 1  -20   23   18 o   42.977   11.451   15.630   9.0005   15.478   14.241   15.732   11.614   43.001   16.829   42.953   15.534 0.4795837E-01 22.90222 
1 1 1  -20   23   19 o   42.226   11.332   13.754   8.8685   21.211   14.143   8.9226   11.385   47.894   17.164   36.559   14.799 11.33498 22.66341 
1 1 1  -20   23   20 o   29.388   9.4703  -2.5952   8.0057   2.4022   13.185  -5.5134   10.076   33.263   14.740   25.513   11.895 7.750433 18.94052 
1 1 1  -20   23   21 o   36.403   10.599   8.2445   8.3259   10.560   12.937   6.6072   10.878   38.553   15.713   34.253   14.229 4.299870 21.19830 
1 1 1  -20   23   22 o   43.560   11.374   16.243   8.7509   19.258   13.735   14.182   11.353   45.942   16.851   41.178   15.281 4.764755 22.74775 
1 1 1  -20   23   23 o   31.930   9.9949   2.1272   8.2507   2.7686   13.815   1.7716   10.287   33.825   15.033   30.035   13.175 3.790136 19.98981 
1 1 1  -20   23   24 o   31.973   10.025   1.4055   8.2147   6.4355   13.996  -1.2378   10.146   36.063   15.599   27.882   12.597 8.180483 20.05021 
1 1 1  -20   23   25 o   29.053   9.1503  -0.7343   7.6978 -13.3533   13.449   5.4137   9.3876   26.207   12.642   31.900   13.232 -5.692657 18.30066 
1 1 1  -20   23   26 o   47.612   11.604   18.225   8.9335   32.987   15.483   10.858   10.938   57.603   17.924   37.621   14.741 19.98113 23.20767 
1 1 1  -20   23   27 o   23.096   11.014  -8.6852   9.5722   0.0000   0.0000  -8.6852   9.5722  ?   ?    23.096   11.014      ?      ? 
1 1 1  -20   23   28 o   33.978   14.086   7.0180   10.630   0.0000   0.0000   7.0180   10.630  ?   ?    33.978   14.086      ?      ? 
1 1 1  -20   23   29 f   54.603   11.915   28.958   9.5947   29.101   15.607   28.872   12.165   53.195   18.100   56.011   15.501 -2.816151 23.83044 
1 1 1  -20   23   30 o   35.335   10.184   7.4783   8.5799  -6.7521   14.680   14.861   10.574   29.565   13.964   41.105   14.829 -11.53950 20.36867 
1 1 1  -20   23   31 o   37.255   10.840   10.378   8.6289   8.5879   14.946   11.273   10.568   37.118   16.087   37.393   14.535 -0.2750015 21.68063 
1 1 1  -20   23   32 o   26.952   8.9810  -4.9017   7.7894  -6.4065   14.446  -4.2848   9.2493   29.300   13.843   24.604   11.446 4.695574 17.96204 
1 1 1  -20   23   33 o   42.519   10.935   10.342   8.7412   33.894   15.226  -1.2371   10.676   57.104   17.776   27.934   12.739 29.17021 21.86911 
1 1 1  -20   23   34 o   31.315   14.465  -0.9627   14.378  -0.9627   14.378   0.0000   0.0000   31.315   14.465  ?   ?       ?      ? 
1 1 1  -20   23   35 o   41.239   16.962   16.050   15.250   16.050   15.250   0.0000   0.0000   41.239   16.962  ?   ?       ?      ? 
1 1 1  -20   23   36 o   26.653   8.9530  -6.3094   8.4146  -8.0950   14.293  -5.3621   10.410   28.080   13.409   25.225   11.867 2.854586 17.90600 
1 1 1  -20   23   37 f   49.565   10.337   24.814   9.7150   0.8764   15.509   40.273   12.463   32.451   15.001   66.678   14.227 -34.22659 20.67449 
1 1 1  -20   23   38 o   28.434   9.2403  -2.1475   8.5830 -16.3190   15.013   4.7339   10.461   25.891   12.682   30.977   13.442 -5.086870 18.48051 
1 1 1  -20   23   39 f   39.064   11.312   11.296   9.3657   26.229   15.950   3.4381   11.570   47.369   17.998   30.758   13.709 16.61082 22.62422 
1 1 1  -20   24   16 o   30.338   13.714   1.5176   12.041   1.5176   12.041   0.0000   0.0000   30.338   13.714  ?   ?       ?      ? 
1 1 1  -20   24   17 f   32.832   10.176   4.2293   8.1275   12.066   14.295   0.4864   9.8796   37.918   16.066   27.746   12.493 10.17152 20.35172 
1 1 1  -20   24   18 o   36.319   10.382   10.791   8.3510   2.6774   14.090   15.184   10.368   32.338   14.704   40.299   14.661 -7.961220 20.76429 
1 1 1  -20   24   19 o   48.796   11.807   24.795   9.2211   26.696   15.272   23.704   11.568   48.756   17.785   48.836   15.534 -0.8044052E-01 23.61429 
1 1 1  -20   24   20 o   39.957   11.033   15.416   8.8179   11.114   14.552   17.913   11.085   37.141   15.985   42.773   15.210 -5.632092 22.06501 
1 1 1  -20   24   21 o   34.191   10.325   8.1700   8.3631   5.7222   14.202   9.4693   10.347   33.789   15.114   34.593   14.071 -0.8036079 20.64991 
1 1 1  -20   24   22 o   30.309   9.1583   1.1795   8.0429 -21.0847   13.932   12.308   9.8500   23.523   11.653   37.094   14.132 -13.57084 18.31668 
1 1 1  -20   24   23 o   25.527   11.838  -2.7215   9.7732   0.0000   0.0000  -2.7215   9.7732  ?   ?    25.527   11.838      ?      ? 
1 1 1  -20   24   24 o   38.638   14.867   14.154   10.970   0.0000   0.0000   14.154   10.970  ?   ?    38.638   14.867      ?      ? 
1 1 1  -19    0    1 o  522.785   9.3015  1854.29   65.849   0.0000   0.0000  1854.29   65.849  522.785   9.3015  522.785   9.3015 -0.000000 0.000000 
1 1 1  -19    0    2 o  733.808   12.176  3653.90  121.005   0.0000   0.0000  3653.90  121.005  733.808   12.176  733.808   12.176 -0.000000 0.000000 
1 1 1  -19    0    3 o  737.193   12.230  3687.70  122.106   0.0000   0.0000  3687.70  122.106  737.193   12.230  737.193   12.230 -0.000000 0.000000 
1 1 1  -19    0    4 o  301.269   6.7854  616.038   27.670   0.0000   0.0000  616.038   27.670  301.269   6.7854  301.269   6.7854 -0.000000 0.000000 
1 1 1  -19    0    5 o  835.912   13.647  4749.63  154.400  4755.63  218.376  4743.63  218.334  836.442   19.289  835.382   19.310 -0.000000 0.000000 
1 1 1  -19    0    6 f  479.613   8.7561  1562.56   56.820  1548.22   79.777  1577.32   80.947  477.379   12.351  481.847   12.415 -0.000000 0.000000 
1 1 1  -19    0    7 o  205.196   6.0289  286.908   16.695  289.938   23.446  283.792   23.778  206.315   8.4179  204.077   8.6332 -0.000000 0.000000 
1 1 1  -19    0    8 o  226.813   6.1599  350.283   18.864  360.396   26.692  340.192   26.663  230.113   8.5869  223.512   8.8342 -0.000000 0.000000 
1 1 1  -19    0    9 o  256.914   6.3713  449.006   22.119  446.966   31.086  451.098   31.479  256.325   8.9742  257.503   9.0464 -0.000000 0.000000 
1 1 1  -19    0   10 o  242.493   6.2809  400.180   20.576  402.118   29.010  398.218   29.189  243.093   8.8326  241.894   8.9321 -0.000000 0.000000 
1 1 1  -19    0   11 o  219.600   6.1640  328.165   18.270  316.575   25.476  340.438   26.216  215.587   8.7531  223.612   8.6811 -0.000000 0.000000 
1 1 1  -19    0   12 o  195.812   6.0634  261.268   16.013  251.711   22.426  271.209   22.873  192.128   8.6533  199.496   8.4959 -0.000000 0.000000 
1 1 1  -19    0   13 o  489.892   8.9259  1630.21   59.163  1607.04   83.064  1654.07   84.288  486.352   12.622  493.431   12.624 -0.000000 0.000000 
1 1 1  -19    0   14 o  838.463   13.709  4778.00  155.562  4838.42  221.763  4719.46  218.275  843.685   19.420  833.241   19.354 -0.000000 0.000000 
1 1 1  -19    0   15 o  303.080   6.8256  624.536   27.969  624.452   39.521  624.622   39.588  303.060   9.6452  303.099   9.6604 -0.000000 0.000000 
1 1 1  -19    0   16 o  735.904   17.332  3680.28  172.630   0.0000   0.0000  3680.28  172.630  735.904   17.332  735.904   17.332 -0.000000 0.000000 
1 1 1  -19    0   17 o  755.043   17.715  3874.41  181.031   0.0000   0.0000  3874.41  181.031  755.043   17.715  755.043   17.715 -0.000000 0.000000 
1 1 1  -19    0   18 o  543.356   13.631  2005.83  100.224   0.0000   0.0000  2005.83  100.224  543.356   13.631  543.356   13.631 -0.000000 0.000000 
1 1 1  -19    0   19 o  659.815   11.215  2958.22  100.145  2964.25  141.926  2952.24  141.329  660.484   15.878  659.146   15.843 -0.000000 0.000000 
1 1 1  -19    0   20 o  1138.89   18.131  8827.64  279.498  8778.70  393.935  8877.24  396.619  1135.71   25.626  1142.07   25.656 -0.000000 0.000000 
1 1 1  -19    0   21 o  1056.67   16.919  7596.26  241.983  7663.79  344.284  7530.33  340.183  1061.31   23.966  1052.03   23.889 -0.000000 0.000000 
1 1 1  -19    0   22 o  371.304   7.5973  936.868   38.152  947.605   54.338  926.429   53.581  373.406   10.759  369.202   10.730 -0.000000 0.000000 
1 1 1  -19    0   23 o  316.225   7.0449  679.867   30.120  682.182   42.839  677.604   42.357  316.754   10.003  315.695   9.9231 -0.000000 0.000000 
1 1 1  -19    0   24 o  610.137   10.568  2528.84   87.243  2573.80  124.818  2485.90  121.990  615.442   14.986  604.832   14.904 -0.000000 0.000000 
1 1 1  -19    0   25 o  471.595   12.454  1511.25   79.464  1511.25   79.464   0.0000   0.0000  471.595   12.454  471.595   12.454 -0.000000 0.000000 
1 1 1  -19    0   26 o  606.320   15.014  2498.39  123.188  2498.39  123.188   0.0000   0.0000  606.320   15.014  606.320   15.014 -0.000000 0.000000 
1 1 1  -19    0   28 f  1041.49   23.682  7383.73  333.847  7383.73  333.847   0.0000   0.0000  1041.49   23.682  1041.49   23.682 -0.000000 0.000000 
1 1 1  -19    0   29 o  1019.52   16.412  7075.46  226.477  7082.49  320.684  7068.47  319.891  1020.02   23.227  1019.02   23.192 -0.000000 0.000000 
1 1 1  -19    0   30 o  687.736   11.665  3213.66  108.543  3287.88  155.939  3143.90  151.178  695.438   16.568  680.033   16.427 -0.000000 0.000000 
1 1 1  -19    0   31 o  740.941   12.404  3733.07  124.384  3744.42  176.626  3721.91  175.194  742.053   17.587  739.829   17.497 -0.000000 0.000000 
1 1 1  -19    0   32 o  646.691   11.114  2841.47   97.232  2908.79  139.798  2778.38  135.324  654.109   15.792  639.273   15.642 -0.000000 0.000000 
1 1 1  -19    0   33 o  542.728   9.7408  2002.18   71.533  2004.98  101.669  1999.44  100.665  543.097   13.835  542.360   13.716 -0.000000 0.000000 
1 1 1  -19    0   34 o  469.301   8.8251  1496.74   56.025  1458.51   78.645  1536.13   79.832  463.196   12.550  475.405   12.411 -0.000000 0.000000 
1 1 1  -19    0   35 o  726.277   12.221  3587.65  120.123  3596.32  170.576  3579.11  169.191  727.141   17.333  725.412   17.233 -0.000000 0.000000 
1 1 1  -19    0   36 o  748.213   12.528  3808.42  126.864  3778.11  178.916  3839.07  179.913  745.210   17.740  751.215   17.695 -0.000000 0.000000 
1 1 1  -19    0   37 o  306.667   7.1689  639.367   29.680  596.130   41.405  685.068   42.568  295.948   10.353  317.385   9.9192 -0.000000 0.000000 
1 1 1  -19    0   38 o  507.966   13.119  1754.36   90.168   0.0000   0.0000  1754.36   90.168  507.966   13.119  507.966   13.119 -0.000000 0.000000 
1 1 1  -19    0   39 o  345.846   10.506  813.484   49.137   0.0000   0.0000  813.484   49.137  345.846   10.506  345.846   10.506 -0.000000 0.000000 
1 1 1  -19    0   40 o  307.307   7.1782  641.934   29.796  658.780   43.185  626.628   41.163  311.149   10.267  303.465   10.035 -0.000000 0.000000 
1 1 1  -19    0   41 o  444.930   8.5850  1346.47   51.671  1333.56   73.284  1359.22   72.866  442.792   12.234  447.067   12.047 -0.000000 0.000000 
1 1 1  -19    0   42 o  454.606   8.7047  1405.13   53.519  1428.05   76.886  1383.59   74.543  458.194   12.403  451.017   12.217 -0.000000 0.000000 
1 1 1  -19    0   43 o  370.555   7.8103  931.990   39.087  976.501   57.136  892.834   53.589  378.859   11.151  362.251   10.939 -0.000000 0.000000 
1 1 1  -19    0   44 o  485.444   9.1073  1603.43   59.808  1606.17   85.331  1600.79   83.850  485.836   12.982  485.053   12.777 -0.000000 0.000000 
1 1 1  -19    0   45 o  650.068   15.957  2878.47  140.381  2878.47  140.381   0.0000   0.0000  650.068   15.957  650.068   15.957 -0.000000 0.000000 
1 1 1  -19    0   46 o  654.497   11.327  2918.34  100.317  2941.46  142.834  2895.83  140.923  657.049   16.063  651.945   15.973 -0.000000 0.000000 
1 1 1  -19    0   47 o  378.038   7.8762  972.870   40.262  964.095   57.334  981.408   56.553  376.332   11.265  379.744   11.011 -0.000000 0.000000 
1 1 1  -19    0   48 o  110.384   7.7358   85.601   11.205   79.382   16.362   91.094   15.377  106.226   11.732  114.542   10.087 -0.000000 0.000000 
1 1 1  -19    0   49 o  257.175   6.8814  449.779   23.874  471.550   34.856  430.542   32.765  263.036   9.8097  251.314   9.6531 -0.000000 0.000000 
1 1 1  -19    0   50 o  234.388   6.7904  374.915   21.463  371.015   30.978  378.516   29.766  233.169   9.8437  235.606   9.3563 -0.000000 0.000000 
1 1 1  -19    0   51 o  396.884   8.1363  1072.65   43.663  1078.29   62.595  1067.31   60.937  397.880   11.632  395.889   11.380 -0.000000 0.000000 
1 1 1  -19    0   52 o  333.954   7.4985  759.622   33.839  763.029   48.704  756.442   47.051  334.653   10.765  333.255   10.442 -0.000000 0.000000 
1 1 1  -19    0   53 f  438.631   8.6014  1310.59   51.020  1322.39   73.271  1299.49   71.085  440.524   12.295  436.738   12.031 -0.000000 0.000000 
1 1 1  -19    0   54 o  164.920   7.0108  187.823   15.436  170.043   22.305  204.162   21.383  157.156   10.584  172.685   9.1972 -0.000000 0.000000 
1 1 1  -19    0   55 o  542.136   9.8923  2005.19   72.561  1980.23  102.733  2030.03  102.499  538.735   14.094  545.536   13.885 -0.000000 0.000000 
1 1 1  -19    0   56 o  315.264   10.245  677.410   43.665   0.0000   0.0000  677.410   43.665  315.264   10.245  315.264   10.245 -0.000000 0.000000 
1 1 1  -19    0   57 o  266.841   7.1314  484.606   25.638  502.461   37.893  469.533   34.817  271.333   10.340  262.348   9.8246 -0.000000 0.000000 
1 1 1  -19    0   58 o  246.808   6.9908  415.635   23.261  420.071   33.917  411.694   31.962  248.010   10.130  245.606   9.6368 -0.000000 0.000000 
1 1 1  -19    0   59 o  353.303   7.7653  850.033   37.054  875.919   53.994  826.991   50.942  358.360   11.143  348.245   10.818 -0.000000 0.000000 
1 1 1  -19    0   60 o  321.945   7.5225  707.545   32.712  692.734   46.883  721.597   45.665  318.597   10.888  325.293   10.383 -0.000000 0.000000 
1 1 1  -19    0   61 o  377.030   8.0496  967.656   40.977  1008.86   60.058  931.771   56.049  384.503   11.550  369.557   11.215 -0.000000 0.000000 
1 1 1  -19    0   62 f  200.476   10.454  275.553   28.223  275.553   28.223   0.0000   0.0000  200.476   10.454  200.476   10.454 -0.000000 0.000000 
1 1 1  -19    0   63 o  357.794   7.8756  873.373   38.073  884.396   55.056  863.271   52.708  359.921   11.313  355.667   10.959 -0.000000 0.000000 
1 1 1  -19    0   64 o  191.429   7.1205  252.221   18.276  237.443   26.546  265.538   25.200  185.907   10.616  196.951   9.4922 -0.000000 0.000000 
1 1 1  -19    0   65 o  528.904   9.8200  1913.73   70.263  1910.34  100.188  1917.01   98.567  528.396   14.014  529.411   13.760 -0.000000 0.000000 
1 1 1  -19    0   66 o  589.451   10.635  2378.54   84.771  2433.71  122.603  2328.01  117.338  595.935   15.204  582.967   14.875 -0.000000 0.000000 
1 1 1  -19    0   67 o  501.350   9.5172  1719.93   64.537  1668.90   91.001  1771.57   91.538  493.793   13.623  508.908   13.294 -0.000000 0.000000 
1 1 1  -19    0   68 o  274.715   7.2932  516.358   27.025  506.522   39.055  525.393   37.433  272.117   10.628  277.313   9.9905 -0.000000 0.000000 
1 1 1  -19    0   69 o  112.496   8.4360   88.299   12.438   97.030   18.879   81.602   16.534  117.434   12.162  107.559   11.694 -0.000000 0.000000 
1 1 1  -19    0   70 o  259.902   7.2425  461.707   25.368  469.599   37.198  454.846   34.684  261.916   10.519  257.888   9.9583 -0.000000 0.000000 
1 1 1  -19    0   71 o  163.546   7.6854  185.945   16.629  176.559   25.271  193.113   22.085  159.545   11.838  167.548   9.8037 -0.000000 0.000000 
1 1 1  -19    0   72 o  227.204   9.7417  353.588   29.868   0.0000   0.0000  353.588   29.868  227.204   9.7417  227.204   9.7417 -0.000000 0.000000 
1 1 1  -19    0   73 o  162.596   7.5544  184.563   16.290  163.314   23.834  203.190   22.315  153.318   11.625  171.873   9.6505 -0.000000 0.000000 
1 1 1  -19    0   74 o  203.857   7.2236  284.090   19.753  302.038   29.668  269.798   26.474  209.565   10.507  198.148   9.9158 -0.000000 0.000000 
1 1 1  -19    0   75 o  305.089   7.5780  639.074   31.210  617.549   44.613  659.706   43.677  299.931   11.010  310.246   10.415 -0.000000 0.000000 
1 1 1  -19    0   76 o  131.822   8.0747  121.966   14.065  118.396   20.999  124.871   18.942  129.735   12.192  133.909   10.591 -0.000000 0.000000 
1 1 1  -19    0   77 o  219.831   10.662  333.150   31.592  333.150   31.592   0.0000   0.0000  219.831   10.662  219.831   10.662 -0.000000 0.000000 
1 1 1  -19    0   78 f  130.933   8.0236  119.101   13.863  128.354   21.371  112.378   18.216  135.162   11.879  126.704   10.789 -0.000000 0.000000 
1 1 1  -19    0   79 o  115.917   8.3572   92.205   12.450  122.760   19.527   71.277   16.161  132.353   11.065   99.481   12.527 -0.000000 0.000000 
1 1 1  -19    0   80 o  105.903   8.7536   81.119   11.930   73.736   17.596   87.401   16.230  100.641   13.602  111.165   11.023 -0.000000 0.000000 
1 1 1  -19    0   81 o  126.000   7.8463  111.702   13.077  113.101   19.635  110.587   17.531  126.460   11.687  125.540   10.473 -0.000000 0.000000 
1 1 1  -19    0   82 o  138.368   7.6207  133.777   14.040  140.900   20.941  127.960   18.923  141.628   11.066  135.109   10.480 -0.000000 0.000000 
1 1 1  -19    0   83 o  144.685   7.6006  148.175   14.559  130.434   21.064  164.402   20.146  135.756   11.647  153.614   9.7681 -0.000000 0.000000 
1 1 1  -19    0   84 o   63.423   13.351   34.206   10.047   44.222   15.583   27.079   13.145   73.390   18.098   53.456   19.633 -0.000000 0.000000 
1 1 1  -19    0   85 o   97.655   12.088   69.359   15.339   0.0000   0.0000   69.359   15.339   97.655   12.088   97.655   12.088 -0.000000 0.000000 
1 1 1  -19    0   86 o  102.400   11.860   76.028   15.883   0.0000   0.0000   76.028   15.883  102.400   11.860  102.400   11.860 -0.000000 0.000000 
1 1 1  -19    0   87 o  113.755   11.094   92.796   16.729   0.0000   0.0000   92.796   16.729  113.755   11.094  113.755   11.094 -0.000000 0.000000 
1 1 1  -19    0   88 o   14.642   10.482 -14.3315   9.6211   0.0000   0.0000 -14.3315   9.6211   14.642   10.482   14.642   10.482 -0.000000 0.000000 
1 1 1  -19    1    1 o  785.460   11.169  4165.31  111.700  4119.60  135.996  4260.08  195.819  779.167   12.880  791.753   18.251 -12.58600 22.33798 
1 1 1  -19    1    2 o  1395.75   15.495 13254.83  293.070 13149.17  412.336 13362.70  416.624  1390.14   21.888  1401.36   21.939 -11.22778 30.99037 
1 1 1  -19    1    3 o  1074.14   14.826  7868.97  204.003  7913.51  250.931  7782.16  350.347  1079.32   17.156  1068.97   24.185 10.34985 29.65239 
1 1 1  -19    1    4 o  559.946   7.9867  2137.93   52.749  2149.55   61.153  2104.17  104.260  563.087   8.0142  556.806   13.818 6.281433 15.97346 
1 1 1  -19    1    5 o  842.952   11.213  4848.48  111.423  4872.85  129.130  4777.45  220.456  847.574   11.243  838.330   19.405 9.244202 22.42697 
1 1 1  -19    1    6 o  999.335   13.077  6781.47  153.406  6776.30  177.158  6796.96  306.708  999.308   13.082  999.361   22.648 -0.5273438E-01 26.15440 
1 1 1  -19    1    7 o  526.493   6.6004  1879.46   47.090  1861.62   66.272  1897.65   66.925  523.970   9.3334  529.016   9.3355 -5.045532 13.20089 
1 1 1  -19    1    8 o  544.999   6.7755  2014.12   50.041  2016.73   70.833  2011.52   70.703  545.352   9.5847  544.646   9.5794 0.7057495 13.55109 
1 1 1  -19    1    9 o  587.877   7.1956  2342.82   57.312  2395.41   82.025  2292.66   80.113  594.320   10.185  581.434   10.168 12.88635 14.39120 
1 1 1  -19    1   10 o  600.888   7.3163  2447.57   59.561  2393.33   83.150  2504.74   85.359  594.054   10.329  607.721   10.365 -13.66687 14.63265 
1 1 1  -19    1   11 o  534.274   6.6864  1935.55   48.410  1943.89   68.673  1927.32   68.254  535.417   9.4648  533.131   9.4473 2.285706 13.37289 
1 1 1  -19    1   12 o  516.810   8.0060  1817.02   53.017  1828.13   65.229  1795.40   91.004  519.238   9.2703  514.382   13.055 4.856140 16.01199 
1 1 1  -19    1   13 o  1011.42   14.052  7022.34  183.077  7179.91  227.554  6733.16  308.263  1028.22   16.331  994.616   22.871 33.59998 28.10311 
1 1 1  -19    1   14 f  837.927   11.849  4784.45  127.223  4817.17  156.581  4720.87  218.242  842.493   13.715  833.362   19.325 9.131653 23.69713 
1 1 1  -19    1   15 o  586.081   7.2133  2323.66   57.215  2210.55   78.540  2451.56   83.517  570.925   10.151  601.238   10.251 -30.31348 14.42652 
1 1 1  -19    1   16 o  1081.53   12.187  7944.94  178.596  7849.73  250.637  8043.15  254.555  1074.95   17.206  1088.10   17.263 -13.15332 24.37342 
1 1 1  -19    1   17 o  1439.34   15.967 14095.86  311.386 14334.00  445.534 13868.46  435.374  1451.20   22.655  1427.48   22.507 23.71851 31.93454 
1 1 1  -19    1   18 o  758.073   8.8756  3899.28   91.178  3900.38  129.109  3898.18  128.783  758.179   12.566  757.968   12.538 0.2116089 17.75121 
1 1 1  -19    1   19 o  827.223   11.728  4603.71  122.935  4772.80  218.214  4525.08  148.795  837.895   19.218  816.552   13.447 21.34296 23.45541 
1 1 1  -19    1   20 o  984.519   13.721  6590.37  172.500  6589.24  298.964  6590.93  211.203  983.891   22.423  985.148   15.820 -1.257019 27.44204 
1 1 1  -19    1   21 o  419.661   5.7541  1193.14   32.711  1154.43   45.562  1234.30   46.991  412.643   8.1479  426.679   8.1270 -14.03662 11.50811 
1 1 1  -19    1   22 o  625.187   10.717  2654.00   90.793  2630.79  128.008  2677.49  128.796  622.435   15.176  627.939   15.136 -5.503845 21.43367 
1 1 1  -19    1   23 o  681.756   9.9655  3148.93   86.667  3174.32  150.849  3136.42  105.888  683.584   16.284  679.929   11.492 3.655396 19.93102 
1 1 1  -19    1   24 o  357.156   6.4493  866.821   29.412  859.641   50.890  870.421   36.041  355.994   10.549  358.319   7.4225 -2.325104 12.89859 
1 1 1  -19    1   25 o  471.426   6.1936  1506.70   39.563  1478.50   55.505  1535.81   56.408  466.943   8.7718  475.908   8.7465 -8.964996 12.38729 
1 1 1  -19    1   26 o  496.701   7.9082  1685.85   50.332  1711.56   62.075  1636.53   85.994  502.376   9.1181  491.026   12.924 11.35046 15.81639 
1 1 1  -19    1   27 o  705.341   10.293  3369.26   92.466  3351.18  112.767  3406.37  161.544  702.735   11.841  707.948   16.839 -5.213074 20.58545 
1 1 1  -19    1   28 o  859.493   9.9262  5015.69  115.603  4953.58  162.217  5079.78  164.789  854.091   14.016  864.896   14.060 -10.80548 19.85234 
1 1 1  -19    1   29 o  379.077   5.4597  973.967   28.041  952.126   39.221  996.806   40.106  374.731   7.7235  383.423   7.7188 -8.691895 10.91940 
1 1 1  -19    1   30 f  602.622   7.4093  2463.86   60.507  2454.91   85.390  2472.87   85.750  601.524   10.475  603.720   10.481 -2.195740 14.81861 
1 1 1  -19    1   31 o  826.058   11.774  4645.31  124.345  4622.72  214.748  4656.70  152.513  824.064   19.230  828.051   13.592 -3.986511 23.54850 
1 1 1  -19    1   32 o  434.105   8.4109  1279.28   49.477  1289.43   69.909  1269.10   70.034  435.834   11.837  432.377   11.953 3.457031 16.82171 
1 1 1  -19    1   33 o  489.914   7.8720  1625.35   49.123  1618.33   59.925  1639.74   85.772  488.444   9.0533  491.383   12.881 -2.938904 15.74408 
1 1 1  -19    1   34 o  443.495   6.0139  1333.95   36.142  1319.90   50.880  1348.26   51.347  441.137   8.5113  445.853   8.4985 -4.715546 12.02772 
1 1 1  -19    1   35 o  566.881   7.0960  2180.57   54.511  2182.24   77.183  2178.92   76.998  567.096   10.043  566.666   10.027 0.4291992 14.19199 
1 1 1  -19    1   36 o  304.583   5.0290  628.992   20.756  636.341   29.559  621.844   29.151  306.337   7.1205  302.828   7.1036 3.509094 10.05798 
1 1 1  -19    1   37 o  484.774   7.7765  1603.66   48.476  1621.92   59.951  1569.18   82.389  488.933   9.0483  480.615   12.650 8.317871 15.55295 
1 1 1  -19    1   38 o  478.798   7.7114  1553.04   47.275  1545.99   57.968  1567.04   81.692  477.338   8.9614  480.259   12.552 -2.920044 15.42289 
1 1 1  -19    1   39 o  183.640   5.6368  229.529   13.297  226.364   22.697  231.183   16.408  182.639   9.1704  184.642   6.5574 -2.003357 11.27369 
1 1 1  -19    1   40 o  232.592   4.7246  366.644   14.887  377.430   21.371  356.476   20.749  235.913   6.6848  229.271   6.6783 6.641876 9.449123 
1 1 1  -19    1   41 o  396.848   5.6724  1068.48   30.504  1058.63   42.979  1078.49   43.302  395.004   8.0292  398.693   8.0147 -3.688721 11.34479 
1 1 1  -19    1   42 o  547.145   6.9540  2032.16   51.552  2072.54   73.718  1993.53   72.119  552.460   9.8467  541.830   9.8220 10.63013 13.90791 
1 1 1  -19    1   43 o  619.242   7.6227  2605.45   63.965  2617.94   90.721  2593.09   90.202  620.718   10.785  617.767   10.775 2.951111 15.24534 
1 1 1  -19    1   44 o  473.893   7.7628  1527.99   46.933  1521.69   81.411  1531.12   57.439  472.910   12.703  474.876   8.9257 -1.965607 15.52558 
1 1 1  -19    1   45 o  483.099   9.1169  1588.48   59.682  1606.55   84.927  1570.85   83.888  485.812   12.900  480.387   12.886 5.425079 18.23374 
1 1 1  -19    1   46 o  419.002   7.2371  1188.95   38.540  1180.89   46.892  1205.72   67.655  417.046   8.2973  420.958   11.860 -3.912170 14.47418 
1 1 1  -19    1   47 o  251.076   4.8091  427.741   16.362  432.698   23.221  422.853   23.059  252.521   6.7857  249.630   6.8164 2.891052 9.618206 
1 1 1  -19    1   48 o  309.047   5.1106  648.290   21.403  645.847   30.245  650.741   30.292  308.463   7.2354  309.631   7.2195 -1.167725 10.22115 
1 1 1  -19    1   49 o  667.745   8.1135  3035.46   73.417  3049.96  104.111  3021.11  103.547  669.331   11.478  666.160   11.470 3.170898 16.22704 
1 1 1  -19    1   50 o  616.022   7.6235  2582.49   63.638  2559.60   89.518  2605.88   90.485  613.265   10.772  618.779   10.791 -5.514526 15.24705 
1 1 1  -19    1   51 f  314.811   5.1702  672.957   22.057  677.213   31.236  668.724   31.150  315.805   7.2988  313.817   7.3248 1.987823 10.34048 
1 1 1  -19    1   52 f  196.438   4.7460  261.914   12.628  273.099   17.993  251.057   17.727  200.576   6.6197  192.301   6.8027 8.274918 9.491948 
1 1 1  -19    1   53 f  405.986   5.8172  1120.20   32.004  1119.12   45.303  1121.28   45.219  405.789   8.2384  406.183   8.2152 -0.3937073 11.63446 
1 1 1  -19    1   54 o  500.826   6.6066  1706.45   44.837  1691.43   63.119  1721.75   63.703  498.601   9.3416  503.050   9.3447 -4.448700 13.21322 
1 1 1  -19    1   55 o  425.423   5.9921  1229.64   34.530  1192.57   47.993  1269.42   49.717  418.784   8.4568  432.061   8.4913 -13.27713 11.98416 
1 1 1  -19    1   56 o   81.781   8.5042   45.740   9.3990   41.866   13.289   49.618   13.295   78.283   12.527   85.278   11.505 -6.994431 17.00838 
1 1 1  -19    1   57 o  327.926   5.3500  731.000   23.770  726.922   33.885  734.951   33.353  327.014   7.6465  328.838   7.4847 -1.823212 10.69998 
1 1 1  -19    1   58 o  324.425   5.2889  715.268   23.249  729.277   33.202  701.791   32.565  327.541   7.4802  321.310   7.4791 6.231506 10.57777 
1 1 1  -19    1   59 o  353.873   5.4912  851.602   26.333  848.533   37.201  854.685   37.280  353.233   7.7716  354.513   7.7600 -1.280151 10.98248 
1 1 1  -19    1   60 o  247.213   4.9374  415.293   16.538  427.046   23.557  403.871   23.222  250.666   6.9349  243.760   7.0300 6.906479 9.874872 
1 1 1  -19    1   61 o  322.470   5.3223  707.305   23.255  695.041   32.894  719.561   32.882  319.665   7.5934  325.276   7.4598 -5.611389 10.64459 
1 1 1  -19    1   62 o  318.992   7.6896  694.497   33.224  668.198   46.210  722.638   47.802  312.739   10.904  325.244   10.846 -12.50464 15.37913 
1 1 1  -19    1   63 o  322.253   5.3243  706.533   23.251  708.628   32.983  704.463   32.781  322.726   7.5417  321.780   7.5175 0.9455566 10.64852 
1 1 1  -19    1   64 o  255.126   5.0195  442.722   17.353  441.298   24.628  444.126   24.456  254.713   7.1349  255.538   7.0622 -0.8249054 10.03898 
1 1 1  -19    1   65 o  355.013   5.5441  858.115   26.672  862.736   37.776  853.520   37.664  355.969   7.8311  354.058   7.8501 1.910522 11.08827 
1 1 1  -19    1   66 o  184.117   5.1192  230.482   12.760  216.229   17.785  245.599   18.316  178.243   7.3631  189.992   7.1141 -11.74800 10.23849 
1 1 1  -19    1   67 o  167.938   5.0315  191.886   11.447  185.221   16.073  198.746   16.306  164.972   7.1897  170.904   7.0408 -5.932617 10.06301 
1 1 1  -19    1   68 o  162.910   5.0618  180.657   11.168  172.318   15.711  189.174   15.877  159.096   7.2872  166.723   7.0275 -7.627365 10.12368 
1 1 1  -19    1   69 o  129.119   5.4519  113.674   9.5145  103.396   13.354  124.271   13.559  123.159   8.0013  135.079   7.4075 -11.91962 10.90379 
1 1 1  -19    1   70 o  144.943   5.2741  143.156   10.355  148.436   14.690  137.940   14.599  147.612   7.3436  142.273   7.5720 5.338882 10.54813 
1 1 1  -19    1   71 o  217.144   6.8977  321.383   20.225  362.070   29.582  285.671   27.714  230.054   9.4890  204.235   10.014 25.81908 13.79544 
1 1 1  -19    1   72 o  300.380   7.3078  618.576   29.737  640.206   42.598  598.015   41.532  305.516   10.289  295.245   10.381 10.27066 14.61565 
1 1 1  -19    1   73 o  154.367   5.2571  162.627   10.992  156.953   15.535  168.317   15.556  151.652   7.5595  157.082   7.3078 -5.430893 10.51428 
1 1 1  -19    1   74 o  215.237   5.0262  316.042   14.655  304.116   20.581  328.309   20.872  211.100   7.1942  219.374   7.0210 -8.273193 10.05240 
1 1 1  -19    1   75 o  157.479   5.2041  169.444   11.104  166.221   15.706  172.666   15.702  155.969   7.4309  158.990   7.2879 -3.020554 10.40823 
1 1 1  -19    1   76 o  177.205   5.1551  214.701   12.378  218.759   17.499  210.637   17.511  178.897   7.2180  175.513   7.3622 3.383362 10.31024 
1 1 1  -19    1   77 o  215.301   7.4672  320.480   21.776  307.056   30.472  334.490   31.131  210.648   10.675  219.954   10.444 -9.307022 14.93450 
1 1 1  -19    1   78 o   72.594   7.8510   37.309   7.3874   46.614   10.645   28.662   10.261   82.170   9.5595   63.019   12.457 19.15113 15.70202 
1 1 1  -19    1   79 o  159.490   5.1169  174.398   11.058  170.084   15.541  178.820   15.736  157.481   7.2825  161.499   7.1901 -4.018082 10.23389 
1 1 1  -19    1   80 o  205.879   5.0167  290.871   13.996  288.262   19.743  293.506   19.845  204.946   7.1087  206.812   7.0808 -1.865997 10.03348 
1 1 1  -19    1   81 o   76.289   6.9631   40.525   7.1971   39.934   10.229   41.104   10.129   75.713   9.9693   76.865   9.7237 -1.152443 13.92617 
1 1 1  -19    1   82 o   96.721   6.0911   64.862   7.9832   64.630   11.222   65.101   11.359   96.555   8.5767   96.887   8.6515 -0.3320084 12.18227 
1 1 1  -19    1   83 f  143.724   5.2382  142.668   10.182  154.528   14.525  131.210   14.276  149.686   7.1607  137.761   7.6473 11.92505 10.47644 
1 1 1  -19    1   84 o  189.612   5.0219  248.345   12.902  253.197   18.289  243.537   18.205  191.484   7.0480  187.741   7.1556 3.742462 10.04374 
1 1 1  -19    1   85 o  136.838   7.1452  132.377   13.230  141.890   18.877  123.193   18.547  141.827   9.8216  131.848   10.380 9.978302 14.29038 
1 1 1  -19    1   86 o   60.926   10.391   28.744   8.8315   17.390   12.339   40.668   12.646   48.171   16.095   73.680   13.147 -25.50887 20.78226 
1 1 1  -19    1   87 o  106.991   7.7407   82.413   11.206   87.382   15.861   77.460   15.836  110.407   10.601  103.574   11.283 6.833153 15.48138 
1 1 1  -19    1   88 o   48.329   10.734   17.388   8.2885   25.994   11.951   9.4123   11.505   57.291   15.159   39.366   15.203 17.92479 21.46898 
1 1 1  -19    2    1 o  675.102   8.0252  3091.57   73.415  3107.20  104.463  3076.32  103.197  676.785   11.390  673.419   11.308 3.366211 16.05037 
1 1 1  -19    2    2 o  850.195   11.284  4928.54  113.079  4948.86  131.017  4869.20  223.896  854.131   11.319  846.260   19.524 7.870789 22.56760 
1 1 1  -19    2    3 f  1117.93   14.508  8555.22  191.460  8613.59  222.179  8386.85  377.368  1126.43   14.555  1109.43   25.101 17.00171 29.01538 
1 1 1  -19    2    4 o  1017.19   14.072  6974.90  181.595  6865.99  220.122  7206.94  321.309  1005.47   16.155  1028.90   23.044 -23.42767 28.14310 
1 1 1  -19    2    5 o  828.178   13.502  4654.81  151.537  4654.81  151.537   0.0000   0.0000  828.178   13.502  ?   ?       ?      ? 
1 1 1  -19    2    6 o  1207.31   19.073  9907.98  312.048  9907.98  312.048   0.0000   0.0000  1207.31   19.073  ?   ?       ?      ? 
1 1 1  -19    2    7 o  1015.50   14.074  7041.77  183.307  7106.21  225.972  6917.78  313.466  1022.91   16.302  1008.10   22.946 14.80420 28.14712 
1 1 1  -19    2    8 o  527.544   8.0809  1885.92   54.535  1882.01   66.848  1893.70   94.302  526.826   9.3634  528.261   13.173 -1.434692 16.16183 
1 1 1  -19    2    9 o  563.461   8.4748  2126.71   60.637  2077.95   73.431  2231.25  107.513  553.553   9.7889  573.369   13.837 -19.81622 16.94961 
1 1 1  -19    2   10 o  552.489   6.8540  2069.92   51.315  2061.28   72.468  2078.62   72.674  551.332   9.6995  553.647   9.6865 -2.315186 13.70797 
1 1 1  -19    2   11 o  520.304   6.5664  1835.61   46.297  1819.44   65.273  1851.97   65.677  517.998   9.2988  522.609   9.2737 -4.610474 13.13273 
1 1 1  -19    2   12 o  1004.83   11.378  6856.60  154.924  6810.15  218.255  6903.77  219.948  1001.40   16.083  1008.26   16.098 -6.856934 22.75533 
1 1 1  -19    2   13 o  1202.99   13.457  9836.65  219.375  9895.15  311.555  9779.13  308.947  1206.54   19.055  1199.45   19.007 7.084595 26.91411 
1 1 1  -19    2   14 o  829.018   9.5828  4664.30  107.657  4659.46  152.258  4669.15  152.241  828.586   13.560  829.449   13.544 -0.8627319 19.16568 
1 1 1  -19    2   15 o  1001.68   11.351  6812.48  154.053  6910.10  220.059  6718.67  215.732  1008.71   16.099  994.649   16.005 14.05676 22.70103 
1 1 1  -19    2   16 o  1130.22   12.692  8680.06  194.385  8642.10  274.222  8718.40  275.588  1127.73   17.944  1132.70   17.954 -4.965942 25.38360 
1 1 1  -19    2   17 o  863.243   12.160  5071.36  134.476  5089.48  165.327  5035.94  231.173  865.904   14.089  860.582   19.823 5.322327 24.31968 
1 1 1  -19    2   18 o  692.773   10.090  3275.05   89.665  3204.45  153.166  3311.86  110.598  686.850   16.456  698.696   11.681 -11.84570 20.18007 
1 1 1  -19    2   19 o  430.743   5.8230  1257.95   33.988  1257.47   48.294  1258.43   47.842  430.660   8.2752  430.826   8.1945 -0.1661682 11.64596 
1 1 1  -19    2   20 o  1278.15   20.162 11111.68  349.217   0.0000   0.0000 11111.68  349.217  ?   ?   1278.15   20.162      ?      ? 
1 1 1  -19    2   21 o  1432.09   22.490 13963.76  436.461   0.0000   0.0000 13963.76  436.461  ?   ?   1432.09   22.490      ?      ? 
1 1 1  -19    2   22 o  625.280   7.6190  2651.27   64.544  2692.92   92.471  2611.70   90.133  630.064   10.830  620.497   10.719 9.567139 15.23792 
1 1 1  -19    2   23 o  955.159   10.894  6196.41  141.005  6205.35  199.732  6187.53  199.091  955.844   15.420  954.474   15.392 1.369507 21.78745 
1 1 1  -19    2   24 o  1331.31   14.842 12063.79  267.759 12105.34  379.563 12022.63  377.780  1333.59   21.003  1329.04   20.976 4.556152 29.68345 
1 1 1  -19    2   25 o  1166.52   13.096  9252.07  207.003  9370.53  295.332  9137.67  290.226  1173.84   18.566  1159.19   18.476 14.65576 26.19246 
1 1 1  -19    2   26 o  930.290   10.642  5878.19  134.159  5834.66  188.866  5922.51  190.605  926.816   15.038  933.764   15.063 -6.947388 21.28440 
1 1 1  -19    2   27 o  698.556   10.228  3315.44   91.166  3317.82  111.545  3310.65  158.220  699.213   11.772  697.900   16.730 1.313232 20.45639 
1 1 1  -19    2   28 o  647.639   9.6285  2840.74   79.397  2826.62   96.807  2869.75  138.774  645.425   11.068  649.853   15.758 -4.428040 19.25698 
1 1 1  -19    2   29 o  310.809   4.9954  654.906   21.038  642.869   29.640  667.128   29.866  307.930   7.1030  313.688   7.0259 -5.758392 9.990768 
1 1 1  -19    2   30 o  179.820   4.5620  219.215   11.116  218.726   15.818  219.691   15.623  179.622   6.4986  180.018   6.4042 -0.3969421 9.123938 
1 1 1  -19    2   31 o  431.654   5.8947  1263.56   34.480  1274.58   48.990  1252.74   48.537  433.518   8.3390  429.789   8.3337 3.729340 11.78938 
1 1 1  -19    2   32 o  463.125   6.1679  1454.55   38.706  1433.88   54.331  1475.84   55.156  459.786   8.7198  466.464   8.7256 -6.677979 12.33573 
1 1 1  -19    2   33 o  283.473   4.8826  544.831   18.756  545.207   26.647  544.462   26.403  283.569   6.9345  283.377   6.8755 0.1921082 9.765241 
1 1 1  -19    2   34 o  591.028   7.3280  2370.35   58.689  2390.04   83.413  2351.04   82.592  593.458   10.372  588.597   10.355 4.860291 14.65593 
1 1 1  -19    2   35 o  812.315   9.4792  4483.06  104.345  4506.17  148.100  4460.27  147.038  814.392   13.420  810.238   13.392 4.154175 18.95838 
1 1 1  -19    2   36 o  1013.32   16.362  7015.04  224.641  7121.77  321.332  6913.02  314.170  1020.82   23.229  1005.81   23.050 15.00629 32.72392 
1 1 1  -19    2   37 o  706.953   16.918  3402.81  162.076  3402.81  162.076   0.0000   0.0000  706.953   16.918  ?   ?       ?      ? 
1 1 1  -19    2   38 o  531.766   8.3896  1933.31   57.098  1959.47   70.307  1882.63   97.856  537.312   9.6559  526.221   13.723 11.09167 16.77928 
1 1 1  -19    2   39 o  388.108   6.8647  1023.84   34.095  1018.22   58.767  1026.69   41.860  387.188   11.200  389.027   7.9403 -1.839508 13.72937 
1 1 1  -19    2   40 o  525.681   8.2547  1865.74   55.280  1912.49   96.858  1843.15   67.321  530.289   13.478  521.073   9.5339 9.216248 16.50948 
1 1 1  -19    2   41 o  310.967   5.0967  655.903   21.477  663.608   30.535  648.359   30.213  312.774   7.2041  309.159   7.2116 3.615051 10.19344 
1 1 1  -19    2   42 o  433.567   5.9776  1275.76   35.120  1286.38   49.924  1265.35   49.414  435.354   8.4622  431.781   8.4451 3.572632 11.95528 
1 1 1  -19    2   43 f  586.888   8.9926  2334.20   67.156  2369.98  117.642  2316.90   81.793  589.805   14.719  583.970   10.336 5.834290 17.98524 
1 1 1  -19    2   44 o  649.159   9.7214  2874.87   80.657  2855.06  139.280  2884.86   98.935  646.919   15.887  651.399   11.208 -4.480591 19.44289 
1 1 1  -19    2   45 o  467.237   7.7640  1494.47   46.311  1515.12   56.889  1453.91   79.741  472.335   8.8878  462.140   12.733 10.19559 15.52801 
1 1 1  -19    2   46 o  305.863   6.2923  625.479   24.320  608.621   29.296  662.848   43.619  299.465   7.2191  312.260   10.308 -12.79477 12.58455 
1 1 1  -19    2   47 o  284.925   4.9695  550.870   19.185  539.176   26.956  562.875   27.313  281.859   7.0573  287.991   6.9984 -6.131775 9.938951 
1 1 1  -19    2   48 o  468.977   6.2891  1494.28   39.968  1506.68   56.805  1482.13   56.245  470.902   8.9017  467.052   8.8866 3.850861 12.57820 
1 1 1  -19    2   49 o  525.157   6.7821  1875.07   48.265  1872.43   68.247  1877.71   68.267  524.787   9.5967  525.528   9.5859 -0.7407837 13.56412 
1 1 1  -19    2   50 o  408.368   5.8110  1132.77   32.155  1147.09   45.845  1118.89   45.112  410.907   8.2331  405.829   8.2029 5.077850 11.62199 
1 1 1  -19    2   51 o  236.844   4.8111  380.813   15.441  380.542   21.845  381.083   21.830  236.759   6.8088  236.928   6.7990 -0.1686859 9.622188 
1 1 1  -19    2   52 o  426.541   5.9719  1236.58   34.519  1229.65   48.695  1243.58   48.939  425.339   8.4483  427.743   8.4428 -2.403473 11.94383 
1 1 1  -19    2   53 o  244.685   4.8608  406.517   16.117  411.884   22.903  401.252   22.683  246.286   6.8624  243.084   6.8859 3.201263 9.721588 
1 1 1  -19    2   54 o  292.907   5.0763  582.760   20.149  586.443   28.570  579.115   28.420  293.828   7.1752  291.986   7.1827 1.842163 10.15254 
1 1 1  -19    2   55 o  269.944   5.9695  495.078   20.839  493.991   25.849  497.096   35.219  269.667   7.0736  270.220   9.6179 -0.5534363 11.93900 
1 1 1  -19    2   56 o  519.541   9.5369  1846.83   67.143  1832.80   94.907  1860.89   95.003  517.549   13.532  521.533   13.442 -3.983826 19.07378 
1 1 1  -19    2   57 o  255.585   4.9570  443.896   17.166  437.028   24.327  450.707   24.227  253.609   7.0786  257.561   6.9413 -3.952408 9.914016 
1 1 1  -19    2   58 o  156.623   4.9009  166.665   10.401  168.135   14.829  165.242   14.592  157.301   6.9566  155.945   6.9051 1.356201 9.801826 
1 1 1  -19    2   59 o  246.448   4.9112  412.756   16.401  406.839   23.134  418.735   23.256  244.669   6.9774  248.227   6.9134 -3.558151 9.822390 
1 1 1  -19    2   60 o  127.002   5.2064  109.658   8.9595  107.356   12.597  112.016   12.746  125.651   7.3979  128.353   7.3280 -2.702255 10.41288 
1 1 1  -19    2   61 o   51.309   10.694   18.689   7.7131   15.480   13.690   20.182   9.3360   49.393   16.950   53.224   13.045 -3.830540 21.38879 
1 1 1  -19    2   62 o   73.850   10.735   39.990   10.746   60.734   15.109   18.756   15.286   94.209   11.835   53.491   17.914 40.71746 21.47006 
1 1 1  -19    2   63 o  298.010   5.1931  603.801   20.964  626.469   30.027  582.241   29.284  303.471   7.3014  292.549   7.3866 10.92188 10.38612 
1 1 1  -19    2   64 o  351.736   5.5276  842.213   26.347  849.007   37.341  835.479   37.180  353.152   7.8027  350.321   7.8317 2.830933 11.05522 
1 1 1  -19    2   65 o  182.155   5.0478  225.722   12.459  221.682   17.541  229.835   17.700  180.507   7.1711  183.803   7.1060 -3.296356 10.09555 
1 1 1  -19    2   66 o  103.293   6.1649   72.658   8.6177   78.187   12.411   67.512   11.975  107.094   8.5519   99.492   8.8819 7.602783 12.32979 
1 1 1  -19    2   67 o  165.645   5.0647  186.701   11.364  179.387   15.947  194.249   16.200  162.341   7.2486  168.950   7.0756 -6.609344 10.12947 
1 1 1  -19    2   68 o  182.537   5.0066  226.769   12.374  239.499   17.641  214.439   17.362  187.596   6.9392  177.478   7.2189 10.11774 10.01320 
1 1 1  -19    2   69 o  186.521   5.0390  236.684   12.728  224.865   17.745  249.206   18.266  181.719   7.2062  191.323   7.0452 -9.603836 10.07792 
1 1 1  -19    2   70 o   97.748   6.2950   65.267   8.3383   65.042   11.820   65.490   11.765   97.577   8.9388   97.919   8.8661 -0.3417664 12.59003 
1 1 1  -19    2   71 o  121.009   7.5342  100.430   12.352  101.966   17.679   98.965   17.266  121.906   10.702  120.112   10.608 1.794418 15.06831 
1 1 1  -19    2   72 o  271.066   6.2277  501.117   21.916  497.776   27.290  507.185   36.778  270.150   7.4545  271.983   9.9784 -1.832947 12.45544 
1 1 1  -19    2   73 o  265.986   5.1398  482.388   18.519  501.345   26.520  464.345   25.872  271.095   7.2188  260.876   7.3184 10.21988 10.27958 
1 1 1  -19    2   74 o  185.570   5.0561  235.022   12.710  226.272   17.875  243.971   18.076  182.058   7.2451  189.081   7.0546 -7.023010 10.11227 
1 1 1  -19    2   75 o  152.949   5.2679  159.907   10.916  164.134   15.469  155.714   15.407  154.977   7.3655  150.920   7.5333 4.056656 10.53571 
1 1 1  -19    2   76 o  199.780   6.4231  270.932   16.206  265.103   19.549  283.744   28.981  196.882   7.3271  202.678   10.552 -5.796432 12.84610 
1 1 1  -19    2   77 o   96.690   9.5681   65.653   12.521   68.846   17.619   62.396   17.796   99.168   13.111   94.211   13.939 4.956596 19.13620 
1 1 1  -19    2   78 o   84.910   6.6639   49.752   7.6646   47.789   10.714   51.810   10.970   83.182   9.5046   86.639   9.3432 -3.456635 13.32787 
1 1 1  -19    2   79 o  166.356   5.1248  189.837   11.553  187.643   16.271  192.068   16.406  165.383   7.2599  167.329   7.2352 -1.945694 10.24964 
1 1 1  -19    2   80 o  161.498   5.1232  179.159   11.212  179.592   15.931  178.734   15.781  161.684   7.2712  161.313   7.2192 0.3711243 10.24633 
1 1 1  -19    2   81 o  127.171   5.3930  111.483   9.2900  108.311   13.178  114.616   13.098  125.335   7.7590  129.007   7.4923 -3.671837 10.78592 
1 1 1  -19    2   82 o   93.609   6.1547   60.904   7.7612   52.766   10.846   69.446   11.111   87.062   9.1927  100.156   8.1864 -13.09412 12.30946 
1 1 1  -19    2   83 o   71.239   7.2243   35.650   6.9523   32.024   9.6801   39.514   9.9912   67.402   10.598   75.076   9.8205 -7.674492 14.44853 
1 1 1  -19    2   84 o  109.619   6.9899   87.947   9.7921   72.407   15.885   97.471   12.436  100.701   11.641  118.538   7.7416 -17.83643 13.97987 
1 1 1  -19    2   85 o   74.075   9.3086   40.482   9.1421   37.902   12.793   43.175   13.069   70.918   13.808   77.231   12.488 -6.313202 18.61729 
1 1 1  -19    2   86 o   88.506   8.3908   56.642   10.034   51.231   13.990   62.374   14.401   83.947   12.298   93.065   11.419 -9.117905 16.78168 
1 1 1  -19    2   87 o   65.823   10.114   32.995   9.0220   23.440   12.391   43.776   13.162   54.434   15.841   77.212   12.579 -22.77868 20.22793 
1 1 1  -19    2   88 o   63.408   10.549   31.667   9.1021   22.052   12.582   42.223   13.183   52.565   16.126   74.251   13.603 -21.68651 21.09716 
1 1 1  -19    3    1 o  945.528   12.422  6122.87  138.934  6173.28  161.446  5978.96  272.768  953.788   12.491  937.267   21.476 16.52124 24.84407 
1 1 1  -19    3    2 o  728.399   10.438  3598.77   97.210  3591.33  119.101  3613.61  168.250  727.524   12.081  729.275   17.025 -1.750916 20.87544 
1 1 1  -19    3    3 o  1131.35   14.641  8601.92  192.671  8503.20  220.949  8915.25  393.625  1119.12   14.569  1143.58   25.400 -24.45557 29.28167 
1 1 1  -19    3    4 o  1276.13   16.432 11115.45  246.711 11141.51  285.498 11038.58  490.236  1280.69   16.450  1271.56   28.450 9.132935 32.86381 
1 1 1  -19    3    5 o  1216.39   15.696 10006.67  223.144  9944.01  256.816 10199.72  450.782  1210.07   15.661  1222.72   27.206 -12.65210 31.39143 
1 1 1  -19    3    6 o  1585.75   20.290 17185.02  377.857 17202.60  436.781 17132.71  753.293  1590.37   20.267  1581.13   35.157 9.235962 40.58038 
1 1 1  -19    3    7 o  1266.63   16.326 10918.85  242.732 10913.78  280.359 10934.03  485.065  1267.59   16.321  1265.67   28.281 1.921997 32.65280 
1 1 1  -19    3    8 o  455.912   6.9655  1408.99   43.034  1408.99   43.034   0.0000   0.0000  455.912   6.9655  ?   ?       ?      ? 
1 1 1  -19    3    9 o  687.200   9.4525  3202.40   88.026  3202.40   88.026   0.0000   0.0000  687.200   9.4525  ?   ?       ?      ? 
1 1 1  -19    3   10 o  679.591   9.8744  3153.94   86.319  3196.63  106.850  3073.74  146.454  686.447   11.486  672.734   16.065 13.71277 19.74881 
1 1 1  -19    3   11 o  434.429   5.8192  1279.52   34.257  1263.12   48.311  1296.11   48.583  431.628   8.2596  437.230   8.1996 -5.602570 11.63843 
1 1 1  -19    3   12 o  1251.55   17.129 10710.57  274.885 10796.12  338.706 10545.50  470.492  1260.00   19.837  1243.09   27.930 16.91333 34.25732 
1 1 1  -19    3   13 o  1601.81   25.172 17583.90  546.321 17306.68  764.378 17873.40  781.125  1588.96   35.499  1614.66   35.699 -25.70117 50.34457 
1 1 1  -19    3   14 o  1227.59   13.743 10232.34  228.447 10617.74  331.104  9882.20  315.600  1249.59   19.553  1205.58   19.318 44.00793 27.48631 
1 1 1  -19    3   15 o  1280.53   17.505 11110.20  284.927 11359.96  500.902 10990.74  346.434  1289.86   28.657  1271.20   20.111 18.66443 35.00914 
1 1 1  -19    3   16 o  1139.89   15.671  8738.21  225.919  9141.29  403.268  8553.84  272.737  1157.90   25.700  1121.87   17.940 36.03162 31.34238 
1 1 1  -19    3   17 f  728.424   10.489  3573.19   97.066  3687.48  171.262  3519.11  117.816  736.675   17.155  720.172   12.072 16.50262 20.97732 
1 1 1  -19    3   18 o  966.771   11.030  6331.38  144.292  6654.11  211.194  6048.85  197.604  989.794   15.745  943.747   15.451 46.04694 22.06016 
1 1 1  -19    3   19 o  740.619   8.7055  3722.15   87.372  3713.25  123.530  3731.07  123.595  739.732   12.323  741.507   12.300 -1.775085 17.41103 
1 1 1  -19    3   20 f  545.655   6.8434  2019.31   50.602  2015.17   71.663  2023.42   71.462  545.097   9.7015  546.214   9.6546 -1.117065 13.68686 
1 1 1  -19    3   21 o  655.945   9.6927  2930.84   81.251  2891.15  140.142  2950.93   99.722  652.375   15.852  659.515   11.158 -7.140076 19.38531 
1 1 1  -19    3   22 o  822.278   11.705  4593.14  122.765  4598.70  213.336  4590.39  150.110  822.250   19.146  822.306   13.471 -0.5578613E-01 23.41005 
1 1 1  -19    3   23 o  621.462   7.5594  2620.09   63.663  2622.88   90.193  2617.32   89.874  621.791   10.704  621.134   10.677 0.6572266 15.11888 
1 1 1  -19    3   24 o  690.089   8.2297  3231.53   76.961  3240.78  109.141  3222.39  108.539  691.070   11.654  689.109   11.623 1.961304 16.45941 
1 1 1  -19    3   25 o  538.237   6.8001  1964.83   49.597  1980.49   70.551  1949.53   69.738  540.357   9.6347  536.118   9.5990 4.239197 13.60029 
1 1 1  -19    3   26 o  380.429   5.4823  980.907   28.257  1000.77   40.487  962.042   39.455  384.182   7.7767  376.676   7.7295 7.505646 10.96454 
1 1 1  -19    3   27 o  535.929   6.7851  1948.21   49.276  1959.56   69.964  1937.04   69.413  537.478   9.6058  534.381   9.5853 3.096436 13.57016 
1 1 1  -19    3   28 o  480.749   7.7758  1558.17   47.407  1539.80   57.487  1597.22   83.809  476.475   8.9033  485.024   12.751 -8.549072 15.55169 
1 1 1  -19    3   29 o  639.317   7.7605  2773.72   67.233  2763.89   94.920  2783.63   95.246  638.179   10.976  640.454   10.974 -2.275818 15.52093 
1 1 1  -19    3   30 o  579.616   7.1957  2279.45   56.519  2288.78   80.202  2270.24   79.659  580.794   10.190  578.439   10.162 2.355164 14.39146 
1 1 1  -19    3   31 o  498.688   6.4683  1686.81   43.710  1704.54   62.216  1669.54   61.422  501.274   9.1589  496.103   9.1363 5.170807 12.93669 
1 1 1  -19    3   32 o  473.727   6.2530  1522.13   40.140  1503.63   56.472  1541.02   57.066  470.818   8.8511  476.637   8.8349 -5.819061 12.50594 
1 1 1  -19    3   33 o  492.355   6.4257  1644.52   42.873  1646.41   60.698  1642.64   60.566  492.637   9.0921  492.073   9.0827 0.5635681 12.85150 
1 1 1  -19    3   34 o  461.224   7.5134  1464.00   44.838  1515.31   56.206  1374.20   74.356  472.622   8.7759  449.827   12.198 22.79504 15.02689 
1 1 1  -19    3   35 o  347.264   6.4059  825.077   28.794  842.179   35.966  794.548   48.053  352.391   7.5316  342.139   10.364 10.25189 12.81179 
1 1 1  -19    3   36 o  389.066   5.5978  1026.51   29.510  1043.34   42.150  1010.32   41.329  392.193   7.9307  385.939   7.9023 6.253906 11.19566 
1 1 1  -19    3   37 o  311.161   5.0667  656.555   21.363  663.347   30.464  649.985   29.965  312.743   7.1881  309.579   7.1427 3.164001 10.13350 
1 1 1  -19    3   38 o  340.248   5.2729  785.243   24.312  789.050   34.511  781.492   34.255  341.067   7.4669  339.430   7.4472 1.636505 10.54585 
1 1 1  -19    3   39 o  713.403   10.457  3465.04   95.236  3461.64  165.102  3466.73  116.588  712.595   17.097  714.212   12.046 -1.616272 20.91470 
1 1 1  -19    3   40 o  611.406   9.2528  2538.64   72.127  2554.04  125.585  2531.06   88.107  612.394   15.133  610.417   10.651 1.977966 18.50553 
1 1 1  -19    3   41 o  298.160   6.1753  603.481   23.442  603.353   40.875  603.543   28.615  298.044   10.120  298.276   7.0794 -0.2322998 12.35063 
1 1 1  -19    3   42 o  427.417   12.029  1242.38   69.673   0.0000   0.0000  1242.38   69.673  ?   ?   427.417   12.029      ?      ? 
1 1 1  -19    3   43 o  302.758   7.2681  621.159   29.778  582.242   40.946  664.851   43.384  292.716   10.322  312.800   10.235 -20.08453 14.53626 
1 1 1  -19    3   44 o  221.582   4.7213  333.113   14.176  332.125   20.103  334.091   19.995  221.254   6.7047  221.910   6.6490 -0.6561432 9.442554 
1 1 1  -19    3   45 o  293.339   6.2340  580.927   23.176  574.632   28.097  594.331   40.997  290.989   7.1252  295.688   10.231 -4.699127 12.46791 
1 1 1  -19    3   46 o  135.018   6.1919  120.748   10.568  115.624   12.693  132.328   19.081  130.521   7.1762  139.515   10.093 -8.994247 12.38378 
1 1 1  -19    3   47 o  153.427   4.7912  159.807   9.9474  148.989   13.982  170.896   14.155  148.161   6.9638  158.694   6.5823 -10.53328 9.582350 
1 1 1  -19    3   48 o  359.962   5.4392  879.740   26.530  865.455   37.277  894.403   37.767  357.000   7.7054  362.924   7.6791 -5.924316 10.87847 
1 1 1  -19    3   49 o  289.369   5.0132  568.248   19.654  552.400   27.507  584.779   28.092  285.246   7.1160  293.491   7.0633 -8.245148 10.02634 
1 1 1  -19    3   50 o  440.591   6.0756  1319.08   36.272  1338.51   51.709  1300.25   50.893  443.785   8.5983  437.398   8.5861 6.386566 12.15124 
1 1 1  -19    3   51 o  289.395   5.0403  568.639   19.762  551.432   27.783  586.261   28.115  284.958   7.1947  293.832   7.0609 -8.873535 10.08069 
1 1 1  -19    3   52 o  378.053   5.5976  971.075   28.675  954.992   40.331  987.517   40.778  374.884   7.9389  381.221   7.8935 -6.336639 11.19524 
1 1 1  -19    3   53 o  352.095   5.4268  842.338   25.893  834.536   36.497  850.243   36.740  350.452   7.6850  353.737   7.6643 -3.285278 10.85365 
1 1 1  -19    3   54 f  311.543   6.2263  659.864   25.019  659.050   30.948  661.401   42.504  311.452   7.3327  311.633   10.065 -0.1807251 12.45256 
1 1 1  -19    3   55 o  322.131   6.3064  699.076   26.138  684.260   32.092  728.271   45.049  317.315   7.4631  326.947   10.168 -9.632172 12.61273 
1 1 1  -19    3   56 o  311.083   6.3254  662.141   25.248  647.594   43.086  669.749   31.158  308.239   10.315  313.928   7.3242 -5.688812 12.65071 
1 1 1  -19    3   57 o  276.037   5.0181  517.792   18.770  511.064   26.472  524.595   26.619  274.231   7.1235  277.843   7.0698 -3.612671 10.03620 
1 1 1  -19    3   58 f  425.268   5.9945  1230.07   34.536  1194.45   48.179  1267.72   49.532  418.938   8.4864  431.599   8.4687 -12.66147 11.98906 
1 1 1  -19    3   59 o  178.596   4.8954  216.737   11.841  206.769   16.610  227.038   16.885  174.413   7.0277  182.779   6.8171 -8.365982 9.790857 
1 1 1  -19    3   60 o  127.218   6.7337  109.882   10.776  111.534   19.286  109.132   12.993  127.769   11.139  126.668   7.5695 1.101143 13.46741 
1 1 1  -19    3   61 o  275.343   7.3550  517.657   27.439  527.998   38.768  507.277   38.840  278.122   10.286  272.564   10.516 5.557312 14.70994 
1 1 1  -19    3   62 o  258.823   6.3422  461.817   20.692  471.309   25.172  442.034   36.338  263.261   7.0557  254.386   10.541 8.875412 12.68449 
1 1 1  -19    3   63 o  251.053   4.9779  428.547   16.933  438.941   24.163  418.518   23.735  254.047   7.0188  248.060   7.0606 5.986252 9.955724 
1 1 1  -19    3   64 o  171.790   5.0008  200.680   11.639  206.724   16.630  194.876   16.296  174.328   7.0396  169.253   7.1048 5.075607 10.00168 
1 1 1  -19    3   65 f  219.388   5.0178  327.488   14.917  324.622   21.123  330.339   21.070  218.425   7.1363  220.350   7.0560 -1.925262 10.03563 
1 1 1  -19    3   66 o  133.147   5.4069  120.920   9.7219  108.804   13.689  133.251   13.810  126.375   7.9931  139.918   7.2834 -13.54333 10.81376 
1 1 1  -19    3   67 o  132.804   5.3616  120.108   9.6486  121.158   13.728  119.083   13.564  133.377   7.5956  132.232   7.5692 1.144699 10.72315 
1 1 1  -19    3   68 o  214.469   4.9739  312.911   14.449  300.186   20.175  326.313   20.704  209.987   7.0899  218.951   6.9781 -8.963684 9.947885 
1 1 1  -19    3   69 o  106.421   6.0080   77.285   8.6630   75.337   12.191   79.272   12.312  105.061   8.5631  107.782   8.4296 -2.721062 12.01602 
1 1 1  -19    3   70 o   99.413   6.2579   67.534   8.4229   71.301   11.979   63.850   11.846  102.173   8.6515   96.652   9.0442 5.521393 12.51585 
1 1 1  -19    3   71 o  190.778   6.8427  249.214   17.688  253.887   25.234  244.701   24.801  192.536   9.6715  189.019   9.6825 3.517380 13.68537 
1 1 1  -19    3   72 o  298.714   5.3086  608.384   21.480  631.149   30.858  586.982   29.920  304.137   7.4870  293.291   7.5279 10.84586 10.61723 
1 1 1  -19    3   73 o  210.283   5.0765  301.697   14.448  281.993   20.247  322.142   20.624  203.252   7.3509  217.314   7.0033 -14.06207 10.15293 
1 1 1  -19    3   74 o  143.233   5.3091  139.983   10.296  148.238   14.867  132.375   14.272  147.294   7.4481  139.172   7.5677 8.122681 10.61813 
1 1 1  -19    3   75 o  185.014   5.0899  233.429   12.728  258.171   18.436  210.893   17.595  194.406   6.9979  175.623   7.3930 18.78258 10.17972 
1 1 1  -19    3   76 o  132.652   8.1003  122.210   14.544  128.669   20.545  115.722   20.592  136.257   11.127  129.048   11.775 7.209839 16.20065 
1 1 1  -19    3   77 o  130.787   7.2946  121.809   11.670  110.154   21.203  126.874   13.978  125.530   12.464  136.043   7.5819 -10.51321 14.58920 
1 1 1  -19    3   78 o  178.404   5.0448  218.157   12.195  216.580   17.359  219.694   17.135  177.747   7.2067  179.061   7.0615 -1.314545 10.08967 
1 1 1  -19    3   79 o  131.669   5.3765  119.171   9.5916  122.051   13.599  116.319   13.530  133.271   7.5299  130.068   7.6764 3.202728 10.75298 
1 1 1  -19    3   80 o  145.262   5.2020  145.128   10.239  142.964   14.474  147.297   14.487  144.163   7.4087  146.361   7.3043 -2.198837 10.40398 
1 1 1  -19    3   81 o  119.474   5.5225   98.545   8.9195   89.808   12.485  107.653   12.747  113.986   8.0826  124.962   7.5276 -10.97547 11.04509 
1 1 1  -19    3   82 o  100.419   5.9001   69.914   8.0111   76.318   11.485   63.848   11.179  104.968   8.0743   95.869   8.6052 9.099861 11.80017 
1 1 1  -19    3   83 o   31.888   8.9565   3.9379   5.9164   0.6172   8.3470   7.2906   8.3872   28.561   12.195   35.215   13.121 -6.654564 17.91300 
1 1 1  -19    3   84 o  135.248   6.4189  129.268   11.125  124.657   18.895  131.715   13.764  132.620   10.514  137.876   7.3668 -5.255920 12.83779 
1 1 1  -19    3   85 o   83.288   8.8644   50.402   9.9956   52.981   14.184   47.857   14.088   85.538   12.237   81.039   12.828 4.498856 17.72875 
1 1 1  -19    3   86 o   99.931   8.1025   72.140   10.972   71.598   15.459   72.690   15.576   99.553   11.459  100.309   11.459 -0.7557449 16.20491 
1 1 1  -19    3   87 o   35.075   9.9723   3.7639   7.8140   11.859   10.950  -4.6352   11.154   41.434   15.068   28.716   13.067 12.71871 19.94462 
1 1 1  -19    3   88 o   83.968   12.495   52.209   14.217   52.209   14.217   0.0000   0.0000   83.968   12.495  ?   ?       ?      ? 
1 1 1  -19    4    1 o  601.211   8.9192  2467.26   69.086  2499.29   85.655  2407.65  116.867  606.988   10.413  595.433   14.484 11.55444 17.83847 
1 1 1  -19    4    2 o  996.328   16.002  6762.41  216.040  6750.44  306.516  6774.22  304.547  995.430   22.723  997.225   22.536 -1.795654 32.00306 
1 1 1  -19    4    3 o  1199.94   19.051  9829.44  309.771  9855.02  440.149  9804.33  436.044  1201.45   27.034  1198.42   26.850 3.032104 38.10167 
1 1 1  -19    4    4 f  1031.01   14.257  7228.88  187.991  7221.41  230.476  7243.73  324.947  1030.93   16.497  1031.09   23.256 -0.1705322 28.51308 
1 1 1  -19    4    5 o  649.092   9.4721  2855.42   78.780  2846.05   96.701  2873.90  135.848  647.703   11.017  650.480   15.411 -2.776978 18.94419 
1 1 1  -19    4    6 o  495.491   12.478  1666.12   83.781   0.0000   0.0000  1666.12   83.781  ?   ?   495.491   12.478      ?      ? 
1 1 1  -19    4    7 o  730.896   10.464  3604.32   97.567  3559.52  118.964  3696.38  170.522  724.267   12.121  737.525   17.062 -13.25842 20.92883 
1 1 1  -19    4    8 o  689.469   11.503  3228.00  107.448  3293.98  154.125  3165.62  149.874  696.312   16.334  682.626   16.202 13.68622 23.00622 
1 1 1  -19    4    9 o  138.889   6.4637  130.759   12.166  130.759   12.166   0.0000   0.0000  138.889   6.4637  ?   ?       ?      ? 
1 1 1  -19    4   10 o  128.348   6.4312  111.664   11.186  111.664   11.186   0.0000   0.0000  128.348   6.4312  ?   ?       ?      ? 
1 1 1  -19    4   11 o  702.434   10.203  3401.40   92.965  3539.34  117.085  3166.11  152.921  722.227   11.963  682.641   16.531 39.58551 20.40544 
1 1 1  -19    4   12 o  732.844   10.516  3662.26   99.039  3695.69  122.332  3598.67  168.723  737.981   12.232  727.707   17.109 10.27393 21.03240 
1 1 1  -19    4   13 o  486.929   6.2718  1607.36   41.378  1631.50   59.175  1584.26   57.881  490.504   8.9025  483.354   8.8366 7.150543 12.54354 
1 1 1  -19    4   14 o  650.249   7.8087  2868.50   68.808  2861.91   97.377  2875.07   97.241  649.502   11.064  650.997   11.023 -1.495239 15.61731 
1 1 1  -19    4   15 o  1042.08   11.776  7378.77  166.292  7402.61  235.871  7355.20  234.480  1043.75   16.676  1040.41   16.631 3.340088 23.55179 
1 1 1  -19    4   16 o  1218.06   13.622 10090.64  224.831 10185.22  320.085  9998.54  315.874  1223.68   19.303  1212.43   19.225 11.24731 27.24334 
1 1 1  -19    4   17 o  996.962   11.315  6752.34  152.867  6801.10  217.325  6704.60  215.065  1000.52   16.029  993.404   15.976 7.114685 22.63067 
1 1 1  -19    4   18 o  596.679   7.3088  2414.90   59.096  2387.91   83.196  2442.40   83.957  593.313   10.347  600.045   10.325 -6.732727 14.61768 
1 1 1  -19    4   19 o  512.913   6.5459  1783.25   45.486  1733.04   63.511  1836.12   65.175  505.504   9.2713  520.323   9.2433 -14.81891 13.09181 
1 1 1  -19    4   20 o  744.155   8.7511  3758.23   88.245  3787.74  125.550  3729.41  124.058  747.039   12.402  741.271   12.350 5.768494 17.50229 
1 1 1  -19    4   21 o  645.740   9.5768  2817.06   78.519  2871.56  138.293  2791.14   95.385  650.096   15.698  641.384   10.974 8.711670 19.15355 
1 1 1  -19    4   22 o  471.993   7.6387  1503.57   45.724  1533.99   80.739  1489.20   55.477  475.380   12.533  468.607   8.7362 6.773071 15.27745 
1 1 1  -19    4   23 o  477.953   6.2638  1548.91   40.564  1570.71   57.959  1527.98   56.792  481.247   8.8873  474.658   8.8293 6.588684 12.52759 
1 1 1  -19    4   24 o  699.703   8.3267  3322.48   78.948  3357.00  112.461  3288.94  110.856  703.284   11.800  696.123   11.751 7.161438 16.65349 
1 1 1  -19    4   25 o  608.227   7.4444  2510.09   61.358  2500.54   86.748  2519.65   86.799  607.069   10.545  609.386   10.511 -2.317383 14.88871 
1 1 1  -19    4   26 o  747.750   8.7990  3795.89   89.158  3821.98  126.723  3770.30  125.463  750.293   12.464  745.208   12.424 5.085205 17.59807 
1 1 1  -19    4   27 o  666.131   8.0060  3011.74   72.270  3005.89  102.192  3017.59  102.218  665.483   11.332  666.779   11.313 -1.295593 16.01201 
1 1 1  -19    4   28 o  620.331   9.3283  2598.28   73.481  2570.28   89.242  2657.23  129.488  615.423   10.701  625.238   15.283 -9.814880 18.65664 
1 1 1  -19    4   29 o  333.490   5.1589  754.121   23.314  753.829   33.015  754.410   32.928  333.425   7.3069  333.554   7.2848 -0.1292114 10.31788 
1 1 1  -19    4   30 o  251.945   4.7091  430.332   16.077  433.514   22.889  427.235   22.586  252.863   6.6797  251.027   6.6396 1.837021 9.418199 
1 1 1  -19    4   31 o  312.969   6.0670  668.862   24.594  679.940   30.708  649.046   41.070  316.659   7.1561  309.278   9.7993 7.381287 12.13409 
1 1 1  -19    4   32 o  236.901   5.5080  372.464   16.945  353.599   20.899  408.654   28.947  228.362   6.7535  245.439   8.7031 -17.07675 11.01602 
1 1 1  -19    4   33 o  642.762   7.8289  2804.34   68.184  2764.21   95.521  2846.02   97.359  638.078   11.047  647.446   11.097 -9.367310 15.65790 
1 1 1  -19    4   34 f  467.726   6.2187  1483.67   39.408  1515.93   56.433  1452.98   55.055  472.683   8.8101  462.768   8.7791 9.915558 12.43745 
1 1 1  -19    4   35 o  118.338   5.1052   95.408   8.1458   85.627   11.636  104.807   11.407  112.356   7.6424  124.319   6.7710 -11.96216 10.21045 
1 1 1  -19    4   36 o  322.288   5.1330  704.414   22.415  709.677   32.017  699.354   31.391  323.467   7.3042  321.110   7.2139 2.357086 10.26607 
1 1 1  -19    4   37 o  192.466   4.6476  251.147   12.116  253.376   17.432  249.063   16.853  193.289   6.6550  191.642   6.4895 1.647522 9.295296 
1 1 1  -19    4   38 f  229.907   4.7168  358.583   14.691  353.954   20.952  363.060   20.604  228.444   6.7681  231.370   6.5716 -2.926651 9.433622 
1 1 1  -19    4   39 o  112.665   6.6506   86.872   9.3044   84.455   16.866   87.930   11.155  111.483   11.164  113.848   7.2306 -2.365799 13.30129 
1 1 1  -19    4   40 o  301.294   6.2153  618.112   23.832  610.854   41.465  621.692   29.123  299.869   10.204  302.719   7.0994 -2.849823 12.43065 
1 1 1  -19    4   41 o  293.896   6.1690  591.108   23.113  572.467   39.868  600.545   28.367  290.275   10.135  297.517   7.0358 -7.242615 12.33795 
1 1 1  -19    4   42 o  498.683   6.5336  1689.06   44.152  1688.95   62.634  1689.17   62.248  498.663   9.2687  498.703   9.2109 -0.3994751E-01 13.06713 
1 1 1  -19    4   43 o  457.048   6.1789  1418.31   38.264  1438.55   54.664  1398.86   53.581  460.242   8.7645  453.854   8.7119 6.387817 12.35774 
1 1 1  -19    4   44 o  207.384   4.7358  291.811   13.309  293.270   18.929  290.385   18.716  207.896   6.7188  206.872   6.6761 1.023499 9.471638 
1 1 1  -19    4   45 o  366.630   6.8131  912.574   31.734  910.604   38.640  916.655   55.621  366.222   7.7860  367.038   11.183 -0.8161011 13.62624 
1 1 1  -19    4   46 o  404.972   5.7983  1113.74   31.818  1127.43   45.340  1100.46   44.663  407.422   8.2122  402.522   8.1879 4.899567 11.59663 
1 1 1  -19    4   47 o  461.409   7.6394  1439.11   44.883  1477.47   78.730  1420.64   54.630  465.595   12.478  457.224   8.8169 8.371552 15.27885 
1 1 1  -19    4   48 o  222.987   5.9702  330.715   16.918  318.055   20.436  358.292   30.161  216.449   6.9673  229.525   9.6969 -13.07635 11.94038 
1 1 1  -19    4   49 o  295.426   6.3303  597.703   23.756  606.125   29.044  580.678   41.292  298.770   7.1735  292.081   10.432 6.689148 12.66061 
1 1 1  -19    4   50 o  277.549   4.9851  522.960   18.746  507.685   26.299  538.738   26.728  273.426   7.0976  281.672   7.0022 -8.246429 9.970288 
1 1 1  -19    4   51 o  174.974   4.7978  207.926   11.369  198.509   16.021  217.477   16.135  170.975   6.9149  178.972   6.6527 -7.997147 9.595532 
1 1 1  -19    4   52 o  443.906   6.1210  1339.97   36.820  1328.67   51.878  1351.44   52.268  442.019   8.6608  445.793   8.6521 -3.773651 12.24204 
1 1 1  -19    4   53 o  197.827   5.6975  267.570   14.606  271.369   18.239  260.778   24.388  199.895   6.7331  195.760   9.1931 4.134995 11.39505 
1 1 1  -19    4   54 o  185.309   5.7319  236.286   13.756  243.456   17.241  223.727   22.817  189.325   6.7202  181.293   9.2874 8.032166 11.46371 
1 1 1  -19    4   55 o  394.227   7.0313  1066.53   35.567  1034.73   60.558  1083.28   43.945  389.347   11.478  399.107   8.1253 -9.760681 14.06265 
1 1 1  -19    4   56 o  316.005   6.3819  679.709   25.783  680.297   44.586  679.413   31.602  315.857   10.417  316.152   7.3763 -0.2953186 12.76382 
1 1 1  -19    4   57 o  211.716   4.8355  304.592   13.873  303.447   19.667  305.726   19.571  211.317   6.8680  212.115   6.8087 -0.7973328 9.671002 
1 1 1  -19    4   58 o   78.435   6.6778   41.889   7.0947   43.510   10.194   40.366   9.8807   79.906   9.4137   76.963   9.4738 2.943687 13.35555 
1 1 1  -19    4   59 o  233.504   6.0694  374.718   18.039  361.042   31.157  381.614   22.123  230.064   9.9937  236.943   6.8901 -6.878571 12.13871 
1 1 1  -19    4   60 o  221.324   6.0972  337.739   17.164  321.477   29.589  345.986   21.071  217.052   10.060  225.596   6.8925 -8.544052 12.19439 
1 1 1  -19    4   61 f  247.455   6.2347  415.402   19.506  412.122   23.616  422.440   34.601  246.174   7.0791  248.737   10.265 -2.562378 12.46935 
1 1 1  -19    4   62 o  116.678   5.5850   92.545   8.8217   98.618   12.725   86.926   12.241  120.364   7.8015  112.992   7.9942 7.372810 11.17003 
1 1 1  -19    4   63 o  302.945   5.2293  624.481   21.466  628.477   30.591  620.605   30.129  303.894   7.4284  301.997   7.3621 1.897705 10.45855 
1 1 1  -19    4   64 o  323.777   5.4020  713.747   23.701  708.293   33.592  719.152   33.444  322.536   7.6856  325.018   7.5933 -2.481964 10.80404 
1 1 1  -19    4   65 f  199.788   5.0306  271.536   13.617  276.115   19.486  267.164   19.038  201.431   7.1385  198.145   7.0902 3.285889 10.06126 
1 1 1  -19    4   66 o  301.020   5.2744  617.015   21.515  611.226   30.411  622.816   30.443  299.600   7.4904  302.440   7.4278 -2.839600 10.54887 
1 1 1  -19    4   67 o  164.153   5.1366  183.581   11.418  176.104   16.175  191.009   16.121  160.802   7.4229  167.505   7.1020 -6.702957 10.27311 
1 1 1  -19    4   68 o  305.434   5.2834  635.471   21.866  643.807   31.229  627.455   30.625  307.393   7.4969  303.475   7.4468 3.917572 10.56684 
1 1 1  -19    4   69 o   78.344   7.2218   42.168   7.6444   39.663   11.010   44.499   10.622   76.051   10.683   80.638   9.7203 -4.586731 14.44367 
1 1 1  -19    4   70 o  226.283   6.9758  347.282   21.260  405.584   31.760  299.942   28.618  243.379   9.6297  209.188   10.095 34.19106 13.95170 
1 1 1  -19    4   71 o  407.916   7.2520  1128.40   37.949  1100.46   46.429  1184.62   65.872  401.204   8.5396  414.628   11.724 -13.42383 14.50398 
1 1 1  -19    4   72 o  198.986   5.1067  270.127   13.769  273.040   19.669  267.327   19.280  200.032   7.2559  197.941   7.1878 2.090714 10.21339 
1 1 1  -19    4   73 f  235.699   5.1026  379.136   16.282  356.469   22.762  402.886   23.299  228.454   7.3525  242.944   7.0771 -14.49010 10.20514 
1 1 1  -19    4   74 o  237.581   5.0821  385.705   16.361  382.298   23.193  389.080   23.083  236.523   7.2360  238.639   7.1379 -2.115997 10.16414 
1 1 1  -19    4   75 o  200.997   6.3488  273.470   16.185  265.916   19.571  289.814   28.789  197.154   7.3254  204.840   10.371 -7.685516 12.69750 
1 1 1  -19    4   76 o  199.110   6.4461  273.153   16.270  272.783   28.550  273.331   19.800  198.432   10.617  199.787   7.3132 -1.355042 12.89220 
1 1 1  -19    4   77 o  137.533   5.3896  129.731   10.042  134.291   14.381  125.392   14.028  139.898   7.5859  135.168   7.6582 4.730804 10.77930 
1 1 1  -19    4   78 o  140.263   5.2675  135.117   10.008  134.661   14.345  135.549   13.970  140.004   7.5607  140.522   7.3363 -0.5173645 10.53501 
1 1 1  -19    4   79 o   97.872   6.0892   66.187   8.0750   67.654   11.513   64.767   11.329   98.945   8.5867   96.799   8.6362 2.145737 12.17844 
1 1 1  -19    4   80 o  124.310   5.5414  106.584   9.3329  108.847   13.369  104.432   13.035  125.591   7.8550  123.028   7.8185 2.562866 11.08290 
1 1 1  -19    4   81 o   57.022   8.8106   23.890   6.6270   27.514   9.6013   20.593   9.1584   61.349   11.979   52.695   12.924 8.653793 17.62126 
1 1 1  -19    4   82 o   91.719   6.3332   59.114   7.7478   47.070   10.886   71.476   11.029   81.919   9.8066  101.520   8.0169 -19.60192 12.66648 
1 1 1  -19    4   83 o   58.708   9.9161   26.070   7.5780   25.875   12.562   26.182   9.5016   57.961   15.634   59.456   12.202 -1.495007 19.83212 
1 1 1  -19    4   84 o  120.314   7.5629  103.260   12.304   98.344   17.667  107.890   17.147  117.296   11.115  123.333   10.259 -6.037178 15.12580 
1 1 1  -19    4   85 o   66.886   10.361   33.960   9.4183   45.374   13.748   23.866   12.929   78.698   12.891   55.074   16.225 23.62463 20.72301 
1 1 1  -19    4   86 o   76.769   9.5960   44.248   9.7612   48.226   14.160   40.646   13.475   80.829   12.927   72.708   14.185 8.121521 19.19191 
1 1 1  -19    5    1 o  631.103   7.6179  2702.42   65.149  2716.85   92.398  2688.16   91.875  632.778   10.775  629.428   10.771 3.349121 15.23573 
1 1 1  -19    5    2 o  657.552   9.0104  2940.22   70.180  2945.45   81.471  2925.17  138.176  658.998   9.1230  656.107   15.541 2.890869 18.02072 
1 1 1  -19    5    3 o  246.683   6.3346  411.936   20.980  418.291   32.030  407.159   27.766  248.331   9.5178  245.035   8.3619 3.296997 12.66925 
1 1 1  -19    5    4 o  764.198   17.699  3971.41  183.291   0.0000   0.0000  3971.41  183.291  ?   ?   764.198   17.699      ?      ? 
1 1 1  -19    5    5 o  634.091   8.7286  2690.46   64.905  2652.95   74.672  2806.38  131.266  625.452   8.8101  642.730   15.071 -17.27820 17.45712 
1 1 1  -19    5    6 o  689.418   9.3959  3236.69   76.771  3247.12   89.181  3206.85  150.868  691.907   9.5114  686.929   16.207 4.978638 18.79180 
1 1 1  -19    5    7 o  812.401   10.862  4566.65  105.553  4664.52  123.836  4306.63  201.839  829.139   11.021  795.662   18.719 33.47687 21.72304 
1 1 1  -19    5    8 f  453.352   6.8541  1418.97   37.383  1449.51   43.998  1339.69   70.888  462.395   7.0216  444.309   11.773 18.08521 13.70826 
1 1 1  -19    5    9 o  882.205   11.689  5369.57  122.989  5461.44  143.890  5120.43  236.946  897.085   11.836  867.324   20.160 29.76105 23.37759 
1 1 1  -19    5   10 f  924.133   12.227  5796.36  153.124  5796.36  153.124   0.0000   0.0000  924.133   12.227  ?   ?       ?      ? 
1 1 1  -19    5   11 o  478.267   7.2351  1550.79   46.892  1550.79   46.892   0.0000   0.0000  478.267   7.2351  ?   ?       ?      ? 
1 1 1  -19    5   12 o  820.272   10.955  4607.72  106.667  4647.48  124.189  4495.91  208.284  827.617   11.073  812.927   18.907 14.69086 21.91091 
1 1 1  -19    5   13 o  708.125   9.6099  3376.57   79.952  3348.55   92.197  3461.52  160.557  702.618   9.6831  713.631   16.602 -11.01227 19.21989 
1 1 1  -19    5   14 o  634.305   8.7832  2692.55   65.384  2655.04   75.252  2808.08  132.076  625.695   8.8751  642.915   15.160 -17.22064 17.56647 
1 1 1  -19    5   15 o  785.691   9.1536  4190.63   97.457  4215.98  138.537  4165.80  137.124  788.040   12.973  783.343   12.918 4.696960 18.30727 
1 1 1  -19    5   16 o  255.232   4.6156  441.813   15.956  426.903   22.625  456.567   22.506  250.943   6.6531  259.520   6.3994 -8.577423 9.231209 
1 1 1  -19    5   17 o  657.181   7.8894  2930.21   70.254  2962.96  100.214  2898.56   98.516  660.789   11.191  653.573   11.123 7.215088 15.77882 
1 1 1  -19    5   18 o  638.146   7.7142  2762.31   66.698  2812.10   95.452  2714.80   93.238  643.761   10.942  632.531   10.878 11.23022 15.42849 
1 1 1  -19    5   19 o  867.131   9.9950  5107.27  117.449  5088.66  165.900  5125.96  166.298  865.547   14.144  868.716   14.126 -3.169678 19.99009 
1 1 1  -19    5   20 o  491.606   6.3662  1639.10   42.409  1617.57   59.761  1660.94   60.193  488.352   9.0302  494.859   8.9760 -6.506927 12.73240 
1 1 1  -19    5   21 o  246.839   5.7870  412.747   17.910  414.372   32.180  412.018   21.557  247.151   9.6082  246.528   6.4527 0.6229553 11.57392 
1 1 1  -19    5   22 o  281.867   5.9363  530.901   21.014  559.797   38.088  518.255   25.196  287.254   9.7844  276.482   6.7249 10.77203 11.87263 
1 1 1  -19    5   23 o  153.620   4.5984  160.219   9.5591  152.717   13.652  167.435   13.390  150.085   6.7122  157.156   6.2871 -7.071426 9.196811 
1 1 1  -19    5   24 o  559.328   6.9955  2122.60   53.023  2118.55   75.068  2126.64   74.904  558.794   9.9133  559.862   9.8728 -1.068237 13.99096 
1 1 1  -19    5   25 o  1235.69   13.846 10400.48  231.841 10473.20  329.506 10329.18  326.263  1239.95   19.610  1231.42   19.551 8.535645 27.69131 
1 1 1  -19    5   26 o  916.181   10.515  5702.50  130.516  5578.33  182.131  5833.57  187.124  905.941   14.835  926.421   14.905 -20.48029 21.02988 
1 1 1  -19    5   27 o  332.939   5.1979  750.906   23.440  724.858   32.551  778.958   33.781  326.948   7.3469  338.930   7.3549 -11.98123 10.39575 
1 1 1  -19    5   28 o  384.694   7.8311  1003.66   40.825  1003.66   40.825   0.0000   0.0000  384.694   7.8311  ?   ?       ?      ? 
1 1 1  -19    5   29 o  675.140   9.8818  3102.30   85.610  3111.57  105.417  3084.34  146.715  676.958   11.491  673.322   16.079 3.636719 19.76351 
1 1 1  -19    5   30 o  651.223   7.8897  2879.04   69.622  2843.75   97.853  2915.23   99.081  647.182   11.157  655.264   11.158 -8.082581 15.77946 
1 1 1  -19    5   31 o  649.696   7.8709  2866.06   69.297  2846.52   97.742  2885.82   98.261  647.468   11.140  651.924   11.123 -4.456787 15.74188 
1 1 1  -19    5   32 f  672.353   8.0878  3070.24   73.690  3063.67  104.220  3076.80  104.206  671.632   11.451  673.073   11.425 -1.441223 16.17553 
1 1 1  -19    5   33 o  578.825   7.2127  2274.34   56.571  2294.75   80.606  2254.53   79.414  581.380   10.231  576.270   10.169 5.110718 14.42531 
1 1 1  -19    5   34 o  594.960   7.3702  2403.35   59.418  2367.49   83.530  2440.08   84.539  590.466   10.439  599.454   10.407 -8.988220 14.74041 
1 1 1  -19    5   35 o  380.585   5.5341  982.212   28.534  1003.87   40.938  961.748   39.793  384.662   7.8536  376.509   7.7991 8.153503 11.06819 
1 1 1  -19    5   36 o  460.084   6.1818  1436.73   38.541  1430.28   54.537  1443.16   54.475  459.050   8.7669  461.118   8.7177 -2.067169 12.36355 
1 1 1  -19    5   37 o  534.858   8.3456  1940.83   56.989  1956.42   99.010  1933.11   69.691  536.167   13.627  533.549   9.6387 2.618896 16.69121 
1 1 1  -19    5   38 o  509.446   9.3294  1762.38   64.407   0.0000   0.0000  1762.38   64.407  ?   ?   509.446   9.3294      ?      ? 
1 1 1  -19    5   39 o  615.364   10.695  2573.61   89.182   0.0000   0.0000  2573.61   89.182  ?   ?   615.364   10.695      ?      ? 
1 1 1  -19    5   40 o  438.831   6.0210  1306.74   35.794  1338.76   51.397  1276.58   49.879  444.045   8.5414  433.616   8.4885 10.42902 12.04197 
1 1 1  -19    5   41 o  175.656   4.7020  208.702   11.173  225.971   16.286  193.345   15.358  182.502   6.5851  168.809   6.7135 13.69289 9.403998 
1 1 1  -19    5   42 f  156.928   4.7924  167.248   10.179  163.755   14.676  170.485   14.130  155.341   6.9715  158.514   6.5778 -3.173508 9.584836 
1 1 1  -19    5   43 o  147.047   4.8575  146.619   9.6721  149.723   14.006  143.789   13.372  148.531   6.9586  145.563   6.7792 2.967270 9.714945 
1 1 1  -19    5   44 o  362.110   6.8333  903.633   31.516  928.714   38.773  854.798   54.104  369.832   7.7366  354.389   11.266 15.44281 13.66659 
1 1 1  -19    5   45 o  225.547   5.9854  340.478   16.961  332.240   20.343  359.262   30.719  221.246   6.7850  229.848   9.8623 -8.601593 11.97086 
1 1 1  -19    5   46 f  468.990   6.2942  1494.96   40.002  1496.98   56.694  1492.96   56.450  469.303   8.9145  468.677   8.8881 0.6260986 12.58834 
1 1 1  -19    5   47 o  352.688   5.4087  844.548   25.846  862.477   36.972  827.413   36.144  356.347   7.6562  349.029   7.6418 7.317383 10.81737 
1 1 1  -19    5   48 o  387.397   5.6577  1019.70   29.701  1017.34   42.112  1022.04   41.896  386.947   8.0310  387.847   7.9713 -0.9005432 11.31540 
1 1 1  -19    5   49 o  267.570   4.9270  485.532   17.853  508.111   25.774  464.706   24.753  273.544   6.9530  261.597   6.9826 11.94687 9.853981 
1 1 1  -19    5   50 o  297.341   5.0843  600.434   20.485  607.808   29.198  593.287   28.747  299.137   7.2028  295.545   7.1777 3.592346 10.16853 
1 1 1  -19    5   51 o  374.358   6.7233  944.923   32.336  926.334   39.654  981.820   55.867  369.170   7.9264  379.545   10.862 -10.37454 13.44652 
1 1 1  -19    5   52 o  278.628   6.9891  528.550   26.374  533.155   38.027  524.283   36.609  279.776   10.030  277.480   9.7360 2.295532 13.97819 
1 1 1  -19    5   53 o  378.083   8.0508  975.435   41.242  975.035   57.812  975.850   58.853  378.027   11.285  378.138   11.485 -0.1110229 16.10162 
1 1 1  -19    5   54 o  196.273   6.9631  262.504   18.496  263.118   25.534  261.825   26.830  196.543   9.5868  196.003   10.101 0.5401001 13.92623 
1 1 1  -19    5   55 o  336.922   6.5518  771.312   28.176  778.474   48.980  767.771   34.446  337.800   10.700  336.043   7.5642 1.756622 13.10353 
1 1 1  -19    5   56 o  305.242   5.1840  633.446   21.442  631.653   30.440  635.212   30.209  304.807   7.3695  305.676   7.2928 -0.8682861 10.36799 
1 1 1  -19    5   57 o  291.000   5.1159  575.730   20.173  575.972   28.673  575.492   28.388  291.055   7.2696  290.944   7.2002 0.1117554 10.23182 
1 1 1  -19    5   58 o  225.660   6.0189  339.627   17.180  366.456   30.872  327.591   20.678  231.798   9.8281  219.521   6.9509 12.27734 12.03777 
1 1 1  -19    5   59 o  258.146   6.1778  460.185   20.311  435.351   34.863  472.944   24.990  252.551   10.187  263.740   6.9921 -11.18866 12.35552 
1 1 1  -19    5   60 o  166.433   6.3462  188.649   13.298  188.387   16.068  189.220   23.692  166.432   7.1245  166.435   10.504 -0.3143311E-02 12.69249 
1 1 1  -19    5   61 o  191.773   4.9611  250.129   12.890  257.718   18.300  242.658   18.158  194.668   6.9370  188.879   7.0943 5.789307 9.922249 
1 1 1  -19    5   62 o  291.582   5.2040  578.468   20.561  585.797   29.307  571.362   28.854  293.398   7.3710  289.765   7.3483 3.633514 10.40808 
1 1 1  -19    5   63 o  297.500   5.2642  601.593   21.207  632.046   30.628  573.546   29.393  304.727   7.4170  290.272   7.4724 14.45453 10.52842 
1 1 1  -19    5   64 o  259.426   5.0682  457.908   17.815  465.168   25.466  450.949   24.931  261.436   7.1880  257.416   7.1471 4.020294 10.13645 
1 1 1  -19    5   65 o  230.535   4.9793  361.751   15.553  355.747   22.034  367.715   21.958  228.618   7.1120  232.452   6.9708 -3.834320 9.958531 
1 1 1  -19    5   66 o  362.709   5.6306  893.745   27.629  960.518   40.410  835.131   37.861  375.393   7.9437  350.025   7.9819 25.36868 11.26116 
1 1 1  -19    5   67 o  232.440   5.0695  367.966   15.968  367.326   22.665  368.598   22.500  232.234   7.2018  232.647   7.1367 -0.4124146 10.13892 
1 1 1  -19    5   68 o  219.457   5.0489  328.110   15.015  325.510   21.249  330.702   21.219  218.583   7.1735  220.331   7.1068 -1.747314 10.09776 
1 1 1  -19    5   69 o  195.952   6.8891  262.492   18.272  273.467   26.635  252.734   25.114  199.793   9.8376  192.111   9.6467 7.682312 13.77814 
1 1 1  -19    5   70 o  175.622   7.0304  212.390   16.649  190.080   23.699  234.133   23.396  166.353   10.513  184.891   9.3376 -18.53752 14.06077 
1 1 1  -19    5   71 o  241.336   5.0773  397.463   16.602  392.796   23.617  402.022   23.343  239.915   7.2642  242.756   7.0957 -2.840775 10.15469 
1 1 1  -19    5   72 o  140.547   5.3583  134.992   10.204  134.697   14.547  135.278   14.317  140.384   7.6468  140.709   7.5082 -0.3244781 10.71668 
1 1 1  -19    5   73 o  191.866   5.0500  251.513   13.130  251.751   18.648  251.278   18.490  191.950   7.1690  191.782   7.1144 0.1680603 10.09999 
1 1 1  -19    5   74 o   83.237   8.6182   46.633   9.1121   43.889   10.967   52.750   16.374   79.745   10.149   86.730   13.932 -6.984497 17.23630 
1 1 1  -19    5   75 o   38.799   11.384   3.3150   9.9300   6.9103   13.867  -0.4688   14.226   41.168   16.449   36.430   15.742 4.738644 22.76809 
1 1 1  -19    5   76 o  163.645   5.1810  183.560   11.484  184.535   16.513  182.647   15.982  164.039   7.4284  163.251   7.2243 0.7880249 10.36204 
1 1 1  -19    5   77 o  167.494   5.0870  192.549   11.516  174.773   16.133  211.011   16.442  159.531   7.4626  175.457   6.9151 -15.92584 10.17397 
1 1 1  -19    5   78 o   38.093   9.6158   9.0597   6.2881   7.8155   8.8557   10.325   8.9301   36.600   13.513   39.586   13.684 -2.985760 19.23153 
1 1 1  -19    5   79 o   91.264   6.2701   57.833   7.7419   54.547   11.009   61.048   10.890   88.624   9.1666   93.904   8.5574 -5.279892 12.54019 
1 1 1  -19    5   80 o  129.348   5.4460  115.450   9.5399  121.194   13.726  110.082   13.269  132.475   7.6457  126.221   7.7574 6.254173 10.89196 
1 1 1  -19    5   81 o   72.701   7.7545   38.313   7.2366   48.871   10.329   28.136   10.142   83.677   9.1089   61.725   12.552 21.95270 15.50898 
1 1 1  -19    5   82 o  170.025   7.0904  204.525   16.248  182.197   23.100  226.388   22.858  160.400   10.627  179.651   9.3890 -19.25081 14.18074 
1 1 1  -19    5   83 o   86.497   9.4752   52.695   11.106   0.0000   0.0000   52.695   11.106  ?   ?    86.497   9.4752      ?      ? 
1 1 1  -19    5   84 o   44.629   11.123   14.060   8.6123   8.6984   12.886   18.389   11.578   40.204   15.922   49.055   15.535 -8.851326 22.24504 
1 1 1  -19    5   85 o   53.448   11.078   21.243   8.8792   32.423   13.525   12.776   11.771   63.991   15.712   42.904   15.620 21.08695 22.15537 
1 1 1  -19    5   86 o  133.705   7.3306  128.642   13.265  127.383   19.183  129.796   18.364  132.860   10.654  134.551   10.072 -1.690704 14.66124 
1 1 1  -19    5   87 o  113.020   11.141   93.159   17.063   93.159   17.063   0.0000   0.0000  113.020   11.141  ?   ?       ?      ? 
1 1 1  -19    6    1 o  634.182   7.6629  2727.55   65.830  2656.32   91.581  2803.71   94.693  625.624   10.802  642.740   10.872 -17.11633 15.32582 
1 1 1  -19    6    2 o  267.260   4.6243  484.272   16.747  482.514   23.790  486.000   23.579  266.778   6.5806  267.742   6.4986 -0.9638062 9.248617 
1 1 1  -19    6    3 f  567.299   8.5212  2200.47   62.509  2238.34   77.916  2132.09  104.711  574.369   10.010  560.228   13.792 14.14038 17.04231 
1 1 1  -19    6    4 o  625.270   9.2124  2624.67   73.742  2564.58   90.018  2747.27  128.581  614.737   10.806  635.803   14.924 -21.06592 18.42487 
1 1 1  -19    6    5 o  483.671   7.1518  1613.84   41.652  1646.57   49.033  1529.00   78.941  492.784   7.3426  474.557   12.275 18.22687 14.30366 
1 1 1  -19    6    6 o  546.059   7.9128  2106.93   52.573  2226.84   62.942  1830.23   95.614  573.030   8.1055  519.088   13.592 53.94159 15.82570 
1 1 1  -19    6    7 o  711.748   9.7027  3495.18   82.634  3558.91   96.880  3325.02  158.310  724.271   9.8707  699.225   16.707 25.04608 19.40534 
1 1 1  -19    6    8 o  680.259   9.2519  3053.35   73.016  2973.77   83.338  3316.22  151.467  662.109   9.2882  698.409   16.004 -36.30060 18.50389 
1 1 1  -19    6    9 o  360.923   5.9765  898.353   26.139  917.552   30.896  850.015   49.025  367.899   6.1972  353.946   10.221 13.95288 11.95307 
1 1 1  -19    6   10 o  366.471   6.2228  910.446   30.903  910.446   30.903   0.0000   0.0000  366.471   6.2228  ?   ?       ?      ? 
1 1 1  -19    6   11 o  669.018   9.2869  3036.16   84.196  3036.16   84.196   0.0000   0.0000  669.018   9.2869  ?   ?       ?      ? 
1 1 1  -19    6   12 o  728.640   9.8471  3589.95   84.555  3572.99   97.742  3640.39  168.560  725.696   9.9390  731.585   17.002 -5.889160 19.69421 
1 1 1  -19    6   13 o  569.626   8.0900  2223.17   55.048  2246.97   64.345  2158.18  106.317  575.605   8.2492  563.646   13.919 11.95929 16.17998 
1 1 1  -19    6   14 o  489.461   7.2257  1630.76   42.265  1636.65   49.323  1614.46   81.993  491.295   7.4085  487.628   12.408 3.666595 14.45150 
1 1 1  -19    6   15 o  620.106   8.6680  2644.31   64.294  2683.41   75.290  2539.01  123.556  628.982   8.8332  611.229   14.917 17.75348 17.33603 
1 1 1  -19    6   16 o  550.671   8.3434  2053.52   58.989  2042.93   72.528  2074.22  101.391  548.743   9.7533  552.599   13.540 -3.855408 16.68672 
1 1 1  -19    6   17 o  263.386   4.6667  470.089   16.633  436.327   23.232  505.595   23.824  253.684   6.7578  273.087   6.4377 -19.40306 9.333397 
1 1 1  -19    6   18 o  634.995   7.6803  2736.06   66.083  2768.91   94.288  2704.36   92.643  638.737   10.893  631.253   10.830 7.483582 15.36061 
1 1 1  -19    6   19 o  634.826   7.6835  2735.14   66.099  2732.70   93.587  2737.56   93.370  634.542   10.884  635.110   10.849 -0.5675659 15.36702 
1 1 1  -19    6   20 o  361.618   5.3077  886.603   26.004  859.993   36.541  913.907   37.014  356.119   7.5718  367.117   7.4401 -10.99814 10.61545 
1 1 1  -19    6   21 o  474.565   7.6863  1521.21   46.197  1549.16   81.745  1508.10   55.996  477.611   12.630  471.518   8.7634 6.092712 15.37260 
1 1 1  -19    6   22 o  794.324   11.285  4230.15  113.634  4122.86  137.337  4463.06  202.344  779.080   13.008  809.568   18.444 -30.48877 22.56980 
1 1 1  -19    6   23 o  674.954   9.8216  3043.55   84.034  2952.48  101.452  3242.59  149.990  659.468   11.352  690.440   16.031 -30.97174 19.64329 
1 1 1  -19    6   24 o  399.902   6.7238  1052.39   34.249  994.308   41.320  1179.91   61.221  382.886   7.9635  416.918   10.836 -34.03217 13.44751 
1 1 1  -19    6   25 o  480.469   7.6061  1559.97   46.939  1545.05   57.673  1589.27   80.784  477.218   8.9181  483.719   12.324 -6.500793 15.21221 
1 1 1  -19    6   26 o  505.273   6.5160  1732.11   44.613  1706.38   62.768  1758.38   63.422  501.480   9.2364  509.067   9.1935 -7.586670 13.03194 
1 1 1  -19    6   27 o  681.479   10.082  3179.89   88.023  3227.23  108.544  3088.96  150.431  689.340   11.620  673.619   16.479 15.72064 20.16395 
1 1 1  -19    6   28 o  536.904   8.4185  1962.92   57.630  1972.30   70.535  1944.07   99.952  539.072   9.6555  534.736   13.793 4.335999 16.83702 
1 1 1  -19    6   29 o  325.723   5.1281  718.482   22.609  671.800   31.363  768.994   32.623  314.720   7.3537  336.727   7.1494 -22.00687 10.25624 
1 1 1  -19    6   30 o  205.467   4.6014  286.409   12.806  279.938   18.242  292.697   17.981  203.174   6.6257  207.759   6.3868 -4.584778 9.202737 
1 1 1  -19    6   31 o  517.230   6.6395  1815.88   46.536  1797.90   65.604  1834.09   66.023  514.651   9.4066  519.808   9.3728 -5.156921 13.27905 
1 1 1  -19    6   32 o  236.344   4.7112  378.958   15.078  361.555   21.273  396.527   21.375  230.885   6.7992  241.803   6.5233 -10.91815 9.422473 
1 1 1  -19    6   33 o  266.597   4.8057  482.151   17.358  470.845   24.556  493.443   24.540  263.470   6.8776  269.725   6.7139 -6.255157 9.611340 
1 1 1  -19    6   34 o  244.709   5.7334  409.467   17.943  396.933   30.763  415.930   22.090  241.784   9.3890  247.634   6.5828 -5.850098 11.46681 
1 1 1  -19    6   35 f  355.622   6.5570  869.226   29.934  825.348   50.641  892.791   37.112  348.511   10.723  362.734   7.5499 -14.22272 13.11397 
1 1 1  -19    6   36 o  425.368   7.1617  1220.06   38.776  1256.19   68.125  1202.74   47.160  429.799   11.696  420.937   8.2675 8.862000 14.32340 
1 1 1  -19    6   37 o  353.477   5.3628  848.043   25.686  837.678   36.430  858.289   36.221  351.324   7.6519  355.630   7.5159 -4.306213 10.72567 
1 1 1  -19    6   38 o  415.320   7.1814  1172.30   37.897  1172.26   66.332  1172.32   46.174  415.096   11.792  415.544   8.1998 -0.4482727 14.36281 
1 1 1  -19    6   39 o  392.774   5.6487  1047.36   30.065  1047.29   42.705  1047.44   42.333  392.756   8.0238  392.792   7.9531 -0.3543091E-01 11.29748 
1 1 1  -19    6   40 o  329.414   5.2139  736.591   23.273  725.856   32.904  747.338   32.922  327.008   7.4252  331.820   7.3215 -4.812134 10.42776 
1 1 1  -19    6   41 o  299.290   5.0460  607.668   20.456  582.136   28.601  634.406   29.269  292.852   7.2070  305.728   7.0646 -12.87576 10.09202 
1 1 1  -19    6   42 o  443.648   6.0776  1336.95   36.535  1313.78   51.312  1360.78   52.034  439.748   8.6105  447.549   8.5795 -7.800903 12.15520 
1 1 1  -19    6   43 o  554.572   7.0566  2091.53   53.029  2113.51   75.462  2070.08   74.535  557.448   9.9895  551.695   9.9697 5.753174 14.11324 
1 1 1  -19    6   44 o  499.712   8.1515  1720.29   52.185  1762.69   64.527  1640.13   88.720  509.164   9.3520  490.261   13.354 18.90250 16.30303 
1 1 1  -19    6   45 o  217.857   4.7725  322.332   14.084  313.665   20.009  330.841   19.827  214.947   6.8692  220.768   6.6273 -5.821701 9.544996 
1 1 1  -19    6   46 o  313.798   5.1648  668.771   21.962  662.833   31.089  674.686   31.029  312.404   7.3437  315.192   7.2645 -2.788818 10.32967 
1 1 1  -19    6   47 o  271.988   4.9476  502.157   18.232  513.871   26.100  490.993   25.479  275.084   7.0015  268.892   6.9924 6.192261 9.895189 
1 1 1  -19    6   48 o  155.185   4.8364  163.389   10.166  169.227   14.637  157.948   14.131  157.861   6.8421  152.510   6.8373 5.351242 9.672781 
1 1 1  -19    6   49 o  130.982   5.0946  116.589   9.0342  122.933   12.819  110.329   12.734  134.531   7.0316  127.433   7.3739 7.098450 10.18911 
1 1 1  -19    6   50 o  181.967   5.6112  222.967   13.341  217.315   16.676  233.017   22.236  178.868   6.8797  185.067   8.8663 -6.198807 11.22236 
1 1 1  -19    6   51 o  227.348   4.8479  351.184   14.932  342.168   21.133  360.173   21.101  224.426   6.9486  230.271   6.7620 -5.845047 9.695760 
1 1 1  -19    6   52 f  214.141   4.8390  311.521   14.039  312.244   20.077  310.829   19.639  214.378   6.9111  213.903   6.7752 0.4751587 9.678085 
1 1 1  -19    6   53 o  337.643   5.3782  775.153   24.607  768.251   34.894  781.980   34.705  336.139   7.6604  339.146   7.5512 -3.006836 10.75648 
1 1 1  -19    6   54 o  285.986   6.2565  560.312   22.821  546.501   39.387  567.292   28.000  283.077   10.267  288.895   7.1522 -5.817505 12.51294 
1 1 1  -19    6   55 o  255.844   4.9775  444.527   17.249  459.879   24.838  430.225   23.973  260.106   7.0467  251.582   7.0318 8.524124 9.954970 
1 1 1  -19    6   56 o  197.727   4.8962  265.961   13.108  259.003   18.764  272.594   18.320  195.183   7.0940  200.270   6.7503 -5.087540 9.792433 
1 1 1  -19    6   57 o  230.416   6.8757  360.922   21.469   0.0000   0.0000  360.922   21.469  ?   ?   230.416   6.8757      ?      ? 
1 1 1  -19    6   58 o  177.635   6.1583  210.589   13.826  227.109   24.879  203.208   16.630  182.408   10.065  172.862   7.0992 9.546707 12.31657 
1 1 1  -19    6   59 o  210.648   6.1828  292.306   16.402  276.386   19.591  329.618   29.993  201.576   7.1721  219.720   10.073 -18.14424 12.36558 
1 1 1  -19    6   60 f  186.332   6.2056  227.193   14.609  211.951   17.458  262.799   26.683  176.496   7.2994  196.167   10.038 -19.67091 12.41111 
1 1 1  -19    6   61 o  228.860   5.0566  356.288   15.680  360.714   22.412  352.046   21.945  230.248   7.1830  227.473   7.1189 2.774734 10.11312 
1 1 1  -19    6   62 o   72.144   7.9280   36.452   7.4945   31.642   10.790   40.936   10.417   66.881   12.361   77.407   9.9311 -10.52540 15.85593 
1 1 1  -19    6   63 o  187.105   4.9689  238.228   12.597  238.467   17.946  237.995   17.688  187.192   7.0746  187.017   6.9792 0.1743774 9.937723 
1 1 1  -19    6   64 o  115.868   5.6623   91.400   8.8757   99.107   12.770   84.196   12.345  120.604   7.8134  111.131   8.1974 9.473381 11.32463 
1 1 1  -19    6   65 o   76.882   7.6984   41.837   7.6346   32.760   11.016   50.226   10.590   68.011   12.410   85.754   9.1133 -17.74268 15.39673 
1 1 1  -19    6   66 o  174.036   5.0678  206.416   11.940  195.290   16.856  217.620   16.915  169.303   7.3469  178.768   6.9825 -9.464874 10.13569 
1 1 1  -19    6   67 o  126.123   5.5976  108.758   9.5458  102.631   13.681  114.571   13.326  122.619   8.2331  129.628   7.5862 -7.009071 11.19529 
1 1 1  -19    6   68 o  152.235   7.1952  158.579   14.815  164.599   21.775  153.391   20.216  154.882   10.375  149.587   9.9726 5.294922 14.39044 
1 1 1  -19    6   69 o  206.610   6.9636  293.247   19.466  282.171   27.967  303.655   27.111  202.734   10.180  210.486   9.5048 -7.752579 13.92718 
1 1 1  -19    6   70 f  148.645   5.2820  151.048   10.627  145.489   15.202  156.361   14.863  145.934   7.6870  151.357   7.2462 -5.423584 10.56399 
1 1 1  -19    6   71 o  164.499   7.3180  184.852   16.313  184.852   16.313   0.0000   0.0000  164.499   7.3180  ?   ?       ?      ? 
1 1 1  -19    6   72 o  245.018   5.1060  410.371   16.952  407.144   24.092  413.534   23.857  244.046   7.2849  245.991   7.1566 -1.945709 10.21209 
1 1 1  -19    6   73 o  148.887   6.7916  155.735   12.718  161.275   15.520  144.407   22.192  153.492   7.4615  144.283   11.350 9.209641 13.58319 
1 1 1  -19    6   74 o  167.404   7.8438  194.405   17.757  177.764   24.687  212.244   25.560  159.877   11.395  174.931   10.782 -15.05428 15.68766 
1 1 1  -19    6   75 o  183.761   5.2173  231.300   12.981  238.297   18.845  224.984   17.906  186.377   7.4616  181.145   7.2943 5.231720 10.43464 
1 1 1  -19    6   76 o  176.374   5.1398  213.555   12.282  207.749   17.347  219.391   17.391  173.942   7.3592  178.807   7.1772 -4.864990 10.27957 
1 1 1  -19    6   77 o  207.443   5.0896  295.672   14.305  297.143   20.431  294.258   20.036  207.927   7.2511  206.958   7.1442 0.9691925 10.17924 
1 1 1  -19    6   78 o  135.411   7.6288  127.412   13.913  139.303   21.155  118.350   18.468  140.797   11.088  130.024   10.481 10.77258 15.25762 
1 1 1  -19    6   79 o   61.600   10.223   30.193   8.1429   21.155   14.869   34.065   9.7319   53.518   17.659   69.683   10.306 -16.16422 20.44659 
1 1 1  -19    6   80 o   66.294   8.0254   32.227   6.8813   24.237   9.8209   39.933   9.6447   57.039   12.996   75.549   9.4205 -18.51006 16.05087 
1 1 1  -19    6   81 o   66.186   9.1599   27.846   7.7203   49.742   13.969   18.216   9.2637   83.140   12.398   49.233   13.487 33.90639 18.31979 
1 1 1  -19    6   82 o   40.686   9.9666   11.501   7.1838   1.8762   12.410   16.351   8.8099   34.743   14.853   46.629   13.294 -11.88639 19.93311 
1 1 1  -19    6   83 f   76.600   9.6520   43.439   9.7602   50.710   14.577   37.530   13.141   83.194   12.930   70.006   14.334 13.18741 19.30394 
1 1 1  -19    6   84 o   94.079   8.4363   64.612   10.733   61.799   15.420   67.255   14.949   91.830   12.391   96.329   11.452 -4.499306 16.87262 
1 1 1  -19    6   85 o  145.632   7.1471  152.231   14.079  141.611   19.834  163.017   19.989  140.241   10.437  151.022   9.7672 -10.78046 14.29411 
1 1 1  -19    6   86 o   65.313   15.447   34.196   13.458   34.196   13.458   0.0000   0.0000   65.313   15.447  ?   ?       ?      ? 
1 1 1  -19    6   87 o  117.817   10.752  101.185   17.166  101.185   17.166   0.0000   0.0000  117.817   10.752  ?   ?       ?      ? 
1 1 1  -19    7    1 o  772.507   9.0462  4052.51   94.678  4146.07  135.665  3963.68  132.191  781.192   12.815  763.823   12.771 17.36914 18.09232 
1 1 1  -19    7    2 o  560.292   6.9683  2130.33   52.908  2118.00   74.570  2142.84   75.078  558.659   9.8499  561.924   9.8595 -3.265747 13.93664 
1 1 1  -19    7    3 o  599.497   7.3492  2436.37   59.667  2528.11   86.248  2352.16   82.633  610.305   10.428  588.690   10.358 21.61469 14.69840 
1 1 1  -19    7    4 o  694.305   16.281  3279.89  153.188   0.0000   0.0000  3279.89  153.188  ?   ?   694.305   16.281      ?      ? 
1 1 1  -19    7    5 f  632.708   8.7184  2659.43   64.513  2603.35   74.002  2837.01  131.689  619.480   8.8152  645.937   15.045 -26.45703 17.43690 
1 1 1  -19    7    6 o  894.901   11.897  5617.38  128.606  5838.02  152.517  5074.49  239.236  927.178   12.139  862.623   20.466 64.55579 23.79468 
1 1 1  -19    7    7 o  848.237   11.213  4705.71  108.941  4551.04  123.454  5249.98  231.586  818.780   11.126  877.695   19.471 -58.91449 22.42572 
1 1 1  -19    7    8 o  518.979   7.4943  1810.05   46.139  1791.12   53.443  1865.46   91.434  513.915   7.6739  524.044   12.875 -10.12903 14.98867 
1 1 1  -19    7    9 o  834.372   11.194  4726.08  126.565  4726.08  126.565   0.0000   0.0000  834.372   11.194  ?   ?       ?      ? 
1 1 1  -19    7   10 o  846.693   11.326  4866.91  129.952  4866.91  129.952   0.0000   0.0000  846.693   11.326  ?   ?       ?      ? 
1 1 1  -19    7   11 o  486.939   7.2578  1652.36   42.841  1709.94   50.842  1511.37   79.557  502.144   7.4715  471.733   12.445 30.41147 14.51564 
1 1 1  -19    7   12 o  781.672   11.205  4245.42  114.167  4526.60  145.862  3800.73  183.432  816.265   13.186  747.079   18.119 69.18561 22.40912 
1 1 1  -19    7   13 o  965.411   13.422  6193.96  162.730  5949.38  194.492  6764.80  297.131  935.345   15.344  995.478   22.026 -60.13232 26.84377 
1 1 1  -19    7   14 o  629.769   9.2656  2685.35   74.783  2666.57   91.734  2722.56  129.125  626.767   10.800  632.772   15.058 -6.004272 18.53120 
1 1 1  -19    7   15 o  597.888   8.9490  2463.72   69.419  2559.33   87.409  2300.42  114.236  614.060   10.504  581.716   14.491 32.34375 17.89793 
1 1 1  -19    7   16 f  600.953   8.9368  2450.36   68.968  2444.28   84.873  2462.18  118.333  600.099   10.437  601.807   14.510 -1.707947 17.87352 
1 1 1  -19    7   17 o  546.926   8.3390  2044.41   58.924  2075.66   73.334  1987.48   98.980  553.053   9.7849  540.800   13.506 12.25311 16.67803 
1 1 1  -19    7   18 o  774.873   11.055  4071.28  109.549  4044.50  134.109  4125.00  189.916  771.562   12.826  778.185   18.009 -6.623230 22.10996 
1 1 1  -19    7   19 o  661.461   9.2030  3049.76   73.500  3148.94   86.966  2801.82  137.505  681.214   9.4207  641.709   15.812 39.50513 18.40598 
1 1 1  -19    7   20 o  466.132   7.6309  1475.46   45.084  1474.24   79.280  1476.04   54.809  465.826   12.559  466.439   8.6712 -0.6126099 15.26170 
1 1 1  -19    7   21 f  368.867   5.3860  922.935   26.919  907.045   38.085  938.799   38.055  365.690   7.6852  372.043   7.5480 -6.352814 10.77198 
1 1 1  -19    7   22 o  237.584   4.5953  382.180   14.783  396.763   21.451  368.990   20.400  241.892   6.5440  233.275   6.4532 8.617355 9.190635 
1 1 1  -19    7   23 o  168.728   4.4938  193.368   10.258  184.293   14.695  201.994   14.326  164.856   6.5776  172.601   6.1248 -7.744888 8.987683 
1 1 1  -19    7   24 o  568.793   10.047  2196.33   77.444  2196.33   77.444   0.0000   0.0000  568.793   10.047  ?   ?       ?      ? 
1 1 1  -19    7   25 o  694.075   8.2860  3272.41   77.929  3224.10  109.390  3322.19  111.046  688.875   11.718  699.275   11.718 -10.39996 16.57210 
1 1 1  -19    7   26 o  332.674   6.4595  757.564   27.328  770.137   33.467  732.401   47.344  336.953   7.3293  328.395   10.639 8.558289 12.91899 
1 1 1  -19    7   27 o  500.104   8.0383  1712.03   51.385  1738.55   63.225  1660.43   88.192  506.087   9.2189  494.122   13.171 11.96515 16.07662 
1 1 1  -19    7   28 f  302.947   4.9671  622.609   20.389  614.027   28.921  631.090   28.749  300.868   7.0934  305.026   6.9550 -4.158356 9.934224 
1 1 1  -19    7   29 o  311.395   5.0337  657.860   21.239  651.359   30.180  664.238   29.895  309.867   7.1871  312.923   7.0498 -3.055542 10.06746 
1 1 1  -19    7   30 o  321.108   6.1989  705.935   25.572  680.791   43.380  719.326   31.657  316.591   10.111  325.625   7.1741 -9.034912 12.39784 
1 1 1  -19    7   31 o  289.971   5.9779  575.334   22.220  556.402   37.894  585.254   27.430  286.219   9.7698  293.722   6.8915 -7.503571 11.95578 
1 1 1  -19    7   32 o  296.183   6.0333  600.536   22.883  580.026   39.091  611.227   28.224  292.208   9.8720  300.158   6.9388 -7.950470 12.06665 
1 1 1  -19    7   33 o  194.536   4.5966  256.982   12.102  243.025   17.163  270.784   17.067  189.270   6.6917  199.801   6.3036 -10.53088 9.193121 
1 1 1  -19    7   34 o  364.780   5.4069  903.011   26.725  910.313   38.124  895.956   37.474  366.227   7.6819  363.333   7.6110 2.893738 10.81379 
1 1 1  -19    7   35 o  341.191   5.2652  790.138   24.342  785.258   34.586  794.929   34.267  340.143   7.5033  342.240   7.3885 -2.096985 10.53042 
1 1 1  -19    7   36 o  306.688   5.0774  638.310   21.100  640.298   30.090  636.387   29.594  307.154   7.2292  306.221   7.1316 0.9328918 10.15487 
1 1 1  -19    7   37 o  329.120   6.4738  742.891   27.061  715.883   46.952  756.325   33.115  324.434   10.679  333.805   7.3206 -9.370758 12.94763 
1 1 1  -19    7   38 o  254.640   4.8127  439.665   16.600  453.712   23.913  426.601   23.061  258.561   6.8247  250.719   6.7875 7.841797 9.625325 
1 1 1  -19    7   39 o  395.922   5.6856  1064.63   30.504  1055.84   43.158  1073.41   43.121  394.284   8.0773  397.560   8.0039 -3.276031 11.37128 
1 1 1  -19    7   40 o  342.114   5.3062  794.605   24.595  771.425   34.564  818.380   35.004  337.054   7.5673  347.173   7.4403 -10.11874 10.61235 
1 1 1  -19    7   41 o  179.950   4.7338  219.966   11.534  213.864   16.489  225.814   16.141  177.496   6.8550  182.404   6.5301 -4.907288 9.467510 
1 1 1  -19    7   42 o  246.161   6.8761  411.374   22.938  411.374   22.938   0.0000   0.0000  246.161   6.8761  ?   ?       ?      ? 
1 1 1  -19    7   43 o  371.012   6.9026  944.682   32.624  961.149   40.033  912.122   56.293  376.135   7.8540  365.890   11.353 10.24539 13.80514 
1 1 1  -19    7   44 o  302.988   5.1011  623.252   20.941  635.907   29.957  611.157   29.285  305.994   7.2244  299.982   7.2038 6.011932 10.20227 
1 1 1  -19    7   45 o  167.133   4.7688  189.305   10.790  199.244   15.666  180.333   14.884  171.299   6.7488  162.967   6.7395 8.331589 9.537663 
1 1 1  -19    7   46 o  191.745   4.7398  249.623   12.312  251.135   17.656  248.192   17.178  192.305   6.7750  191.184   6.6304 1.120941 9.479564 
1 1 1  -19    7   47 o  243.475   5.7847  404.570   18.345  408.708   23.031  397.388   30.342  245.302   6.9282  241.649   9.2656 3.653061 11.56943 
1 1 1  -19    7   48 o  355.754   6.6056  872.584   30.465  901.731   38.267  822.140   50.342  364.226   7.7530  347.282   10.697 16.94363 13.21127 
1 1 1  -19    7   49 o  275.220   5.0155  514.724   18.703  506.913   26.515  522.458   26.386  273.134   7.1637  277.306   7.0215 -4.171936 10.03096 
1 1 1  -19    7   50 o  315.937   5.2222  678.379   22.357  683.628   31.853  673.284   31.386  317.138   7.4118  314.736   7.3588 2.401306 10.44447 
1 1 1  -19    7   51 o  156.624   5.0133  166.951   10.576  143.983   14.772  191.105   15.149  145.529   7.4905  167.719   6.6651 -22.18997 10.02656 
1 1 1  -19    7   52 o  358.951   5.5393  876.317   26.939  878.404   38.508  874.317   37.700  359.356   7.9076  358.545   7.7592 0.8112183 11.07861 
1 1 1  -19    7   53 o  240.406   6.1125  398.398   18.609  379.477   32.359  407.748   22.747  235.872   10.124  244.940   6.8529 -9.067200 12.22493 
1 1 1  -19    7   54 o  183.246   4.9157  228.133   12.197  231.347   17.657  225.199   16.868  184.470   7.0635  182.022   6.8384 2.448486 9.831421 
1 1 1  -19    7   55 o  306.445   6.3952  638.938   24.914  642.836   43.617  637.050   30.353  306.836   10.490  306.053   7.3185 0.7827148 12.79050 
1 1 1  -19    7   56 o  102.032   8.7331   84.114   9.7388   47.281   16.953  102.256   11.898   81.444   15.931  122.620   7.1603 -41.17562 17.46612 
1 1 1  -19    7   57 o  246.892   4.9933  414.596   16.702  413.315   23.867  415.827   23.381  246.507   7.1446  247.277   6.9775 -0.7699127 9.986575 
1 1 1  -19    7   58 o  305.758   6.5800  642.401   25.638  651.808   31.451  623.771   44.262  309.479   7.4994  302.037   10.814 7.441620 13.15996 
1 1 1  -19    7   59 o  141.594   7.2594  144.136   12.747  157.367   15.643  117.981   21.994  152.044   7.5921  131.145   12.375 20.89891 14.51873 
1 1 1  -19    7   60 o  286.239   5.2034  557.423   20.177  567.120   28.983  548.303   28.107  288.645   7.4096  283.833   7.3075 4.811371 10.40680 
1 1 1  -19    7   61 o  157.585   5.1543  169.134   10.997  166.518   15.825  171.577   15.292  156.388   7.4672  158.782   7.1070 -2.394165 10.30869 
1 1 1  -19    7   62 o  145.250   5.3152  143.570   10.446  145.609   15.252  141.769   14.335  146.202   7.6983  144.297   7.3309 1.904770 10.63047 
1 1 1  -19    7   63 o  252.955   6.2576  440.592   20.217  425.151   34.687  448.535   24.879  249.244   10.270  256.665   7.1529 -7.420471 12.51524 
1 1 1  -19    7   64 o  192.335   7.2571  252.882   18.898  243.271   26.055  263.550   27.450  188.498   10.200  196.172   10.326 -7.674240 14.51422 
1 1 1  -19    7   65 o  211.960   6.3571  306.326   17.085  305.007   20.761  309.094   30.073  211.574   7.2409  212.346   10.451 -0.7718964 12.71413 
1 1 1  -19    7   66 o  211.443   5.0702  304.224   14.515  321.425   20.986  288.448   20.098  217.171   7.1310  205.716   7.2095 11.45509 10.14042 
1 1 1  -19    7   67 o  116.245   7.9456   93.207   12.456   90.538   18.390   95.469   16.930  114.606   11.841  117.885   10.598 -3.279305 15.89124 
1 1 1  -19    7   68 o  226.870   6.2469  356.747   18.089  339.089   30.937  365.919   22.297  222.135   10.277  231.605   7.1042 -9.469406 12.49375 
1 1 1  -19    7   69 o  150.448   5.3228  154.774   10.840  147.125   15.372  162.342   15.290  146.712   7.7316  154.183   7.3180 -7.470840 10.64566 
1 1 1  -19    7   70 o  137.213   5.4544  129.046   10.120  120.822   14.431  137.004   14.196  132.851   8.0156  141.575   7.3993 -8.724152 10.90876 
1 1 1  -19    7   71 o  119.645   5.8218   97.485   9.3944  111.863   13.880   85.329   12.762  127.768   8.0163  111.522   8.4446 16.24577 11.64352 
1 1 1  -19    7   72 o   84.157   9.0591   46.640   9.6434   42.014   11.485   57.693   17.754   77.857   10.886   90.458   14.483 -12.60085 18.11821 
1 1 1  -19    7   73 o  125.452   12.273  110.054   20.864  110.054   20.864   0.0000   0.0000  125.452   12.273  ?   ?       ?      ? 
1 1 1  -19    7   74 o  186.077   7.1876  240.260   18.032  240.467   26.882  240.091   24.313  185.926   10.669  186.228   9.6341 -0.3013916 14.37525 
1 1 1  -19    7   75 o   40.562   9.5654   10.653   6.6019   3.8628   9.7468   16.409   8.9740   33.686   13.673   47.437   13.380 -13.75140 19.13071 
1 1 1  -19    7   76 f   83.327   6.7966   48.433   7.6486   44.976   10.976   51.696   10.664   80.320   10.084   86.334   9.1149 -6.014076 13.59330 
1 1 1  -19    7   77 o  115.209   5.7379   91.551   8.9420   95.685   13.136   87.982   12.207  117.589   8.2433  112.829   7.9838 4.759811 11.47576 
1 1 1  -19    7   78 o  111.474   5.7641   85.803   8.6906   92.874   12.733   79.637   11.891  115.768   8.1163  107.180   8.1868 8.587700 11.52817 
1 1 1  -19    7   79 o  153.557   5.2065  163.019   10.828  164.136   15.597  161.979   15.045  154.018   7.4728  153.096   7.2519 0.9226837 10.41305 
1 1 1  -19    7   80 o  109.060   6.9905   82.930   9.7582   86.785   16.960   81.022   11.931  110.255   11.351  107.866   8.1623 2.389145 13.98104 
1 1 1  -19    7   81 o   65.721   9.4332   31.856   7.8104   33.101   13.583   31.241   9.5466   65.228   15.580   66.214   10.639 -0.9859390 18.86639 
1 1 1  -19    7   82 o   39.610   10.621   8.5640   8.0857   15.108   11.948   3.0346   10.983   45.499   15.822   33.722   14.174 11.77697 21.24225 
1 1 1  -19    7   83 o   66.413   10.400   34.363   9.0971   34.983   13.337   33.823   12.440   66.768   15.095   66.059   14.311 0.7089310 20.80010 
1 1 1  -19    7   84 o   84.516   8.5653   52.213   9.7449   61.055   14.351   44.648   13.274   91.398   11.587   77.635   12.618 13.76378 17.13062 
1 1 1  -19    7   85 o   34.551   14.600   3.6107   11.753   3.6107   11.753   0.0000   0.0000   34.551   14.600  ?   ?       ?      ? 
1 1 1  -19    7   86 o   47.515   15.964   17.876   12.141   17.876   12.141   0.0000   0.0000   47.515   15.964  ?   ?       ?      ? 
1 1 1  -19    8    1 o  397.065   5.5641  1069.63   29.939  1077.17   42.407  1062.13   42.273  398.462   7.8536  395.668   7.8840 2.794067 11.12816 
1 1 1  -19    8    2 f  509.586   6.5250  1762.54   45.058  1756.98   63.571  1768.16   63.874  508.779   9.2204  510.394   9.2350 -1.614319 13.04995 
1 1 1  -19    8    3 o  497.644   7.9665  1627.96   49.376  1819.68   92.005  1550.40   58.517  517.331   13.124  477.957   9.0347 39.37473 15.93293 
1 1 1  -19    8    4 o  618.065   10.655  2594.18   89.239  2594.18   89.239   0.0000   0.0000  618.065   10.655  ?   ?       ?      ? 
1 1 1  -19    8    5 o  266.407   5.0951  481.186   16.698  480.921   19.819  481.835   30.998  266.337   5.4913  266.476   8.5840 -0.1391602 10.19019 
1 1 1  -19    8    6 o  279.463   5.1017  505.232   17.301  477.306   20.107  584.872   33.955  265.332   5.5920  293.593   8.5345 -28.26099 10.20338 
1 1 1  -19    8    7 o  360.398   6.3400  897.453   29.871  949.062   38.205  816.285   47.913  374.052   7.5372  346.743   10.197 27.30923 12.68007 
1 1 1  -19    8    8 o  568.297   8.2089  2191.13   63.218  2191.13   63.218   0.0000   0.0000  568.297   8.2089  ?   ?       ?      ? 
1 1 1  -19    8    9 o  637.412   8.9621  2757.17   77.413  2757.17   77.413   0.0000   0.0000  637.412   8.9621  ?   ?       ?      ? 
1 1 1  -19    8   10 o  588.070   8.4958  2484.89   61.407  2716.18   74.865  2009.36  107.349  632.681   8.7320  543.459   14.576 89.22235 16.99163 
1 1 1  -19    8   11 o  568.755   8.0371  2172.10   53.988  2146.45   62.372  2248.73  107.813  562.476   8.1828  575.033   13.836 -12.55627 16.07423 
1 1 1  -19    8   12 o  414.531   6.3773  1112.70   31.058  1062.92   35.523  1274.22   63.989  395.904   6.6212  433.158   10.901 -37.25397 12.75453 
1 1 1  -19    8   13 o  266.091   5.1939  481.263   16.995  482.666   20.184  477.844   31.503  266.818   5.5822  265.364   8.7606 1.453949 10.38788 
1 1 1  -19    8   14 o  278.253   5.2366  515.320   17.804  502.920   20.918  547.914   33.913  272.355   5.6676  284.151   8.8072 -11.79514 10.47327 
1 1 1  -19    8   15 o  582.573   8.4263  2426.82   60.151  2621.82   72.882  2010.25  106.526  621.587   8.6524  543.559   14.462 78.02789 16.85260 
1 1 1  -19    8   16 o  553.566   7.8370  1945.80   49.525  1840.28   55.793  2337.78  107.536  520.826   7.9051  586.307   13.535 -65.48132 15.67410 
1 1 1  -19    8   17 o  507.034   7.4352  1753.65   45.093  1762.55   52.672  1729.23   87.252  509.724   7.6254  504.343   12.766 5.381439 14.87034 
1 1 1  -19    8   18 o  418.049   6.5005  1168.07   32.421  1148.51   37.614  1224.62   63.949  411.513   6.7449  424.585   11.114 -13.07184 13.00090 
1 1 1  -19    8   19 f  540.176   8.3107  1980.94   58.050  1976.35   71.997  1989.45   98.138  539.521   9.8474  540.832   13.390 -1.311462 16.62142 
1 1 1  -19    8   20 o  446.875   6.7537  1292.24   35.249  1235.08   40.204  1482.20   73.292  426.721   6.9525  467.030   11.581 -40.30966 13.50730 
1 1 1  -19    8   21 o  467.769   7.1433  1538.17   40.615  1611.33   48.463  1365.52   74.448  487.366   7.3379  448.173   12.258 39.19238 14.28656 
1 1 1  -19    8   22 o  308.750   7.0945  646.646   29.683  646.646   29.683   0.0000   0.0000  308.750   7.0945  ?   ?       ?      ? 
1 1 1  -19    8   23 o  494.031   7.7847  1645.32   49.008  1696.81   85.941  1620.51   59.659  499.481   12.697  488.580   9.0107 10.90076 15.56937 
1 1 1  -19    8   24 o  373.805   6.5394  934.653   31.108  989.376   55.030  908.952   37.712  381.601   10.642  366.008   7.6034 15.59348 13.07883 
1 1 1  -19    8   25 o  183.604   6.4534  229.289   15.994  233.861   21.806  223.964   23.531  185.607   8.6695  181.601   9.5618 4.006683 12.90689 
1 1 1  -19    8   26 o  251.823   5.6196  431.078   18.219  428.125   31.007  432.635   22.516  251.098   9.1124  252.547   6.5791 -1.448502 11.23927 
1 1 1  -19    8   27 o  216.893   4.6080  319.297   13.531  314.088   19.465  324.168   18.823  215.174   6.6756  218.612   6.3538 -3.438049 9.215946 
1 1 1  -19    8   28 o  297.656   4.9285  600.482   19.869  621.064   28.690  581.515   27.542  302.550   6.9977  292.762   6.9421 9.788452 9.857007 
1 1 1  -19    8   29 o  372.470   5.4381  941.394   27.444  953.036   39.255  930.263   38.383  374.719   7.7305  370.221   7.6505 4.497559 10.87612 
1 1 1  -19    8   30 o  468.502   6.2325  1487.11   39.520  1567.75   57.629  1415.52   54.300  480.458   8.8513  456.545   8.7767 23.91299 12.46499 
1 1 1  -19    8   31 o  352.066   5.3170  841.365   25.366  834.701   35.957  847.968   35.789  350.674   7.5666  353.458   7.4718 -2.783813 10.63397 
1 1 1  -19    8   32 o  300.694   5.0017  612.831   20.367  636.646   29.461  591.028   28.189  306.281   7.0981  295.108   7.0487 11.17389 10.00337 
1 1 1  -19    8   33 o  310.306   7.1927  653.560   30.246  653.560   30.246   0.0000   0.0000  310.306   7.1927  ?   ?       ?      ? 
1 1 1  -19    8   34 o  289.066   4.9338  566.624   19.317  583.184   27.863  551.297   26.806  293.126   7.0143  285.005   6.9405 8.121185 9.867686 
1 1 1  -19    8   35 o  213.938   5.8085  307.481   15.558  319.729   28.261  302.155   18.637  216.865   9.6165  211.011   6.5175 5.853806 11.61704 
1 1 1  -19    8   36 o  148.971   5.9754  146.674   11.075  161.082   20.597  140.814   13.136  153.905   9.8758  144.038   6.7299 9.866913 11.95085 
1 1 1  -19    8   37 o  275.308   4.8985  514.476   18.269  516.173   26.206  512.870   25.482  275.743   7.0131  274.872   6.8410 0.8708801 9.797036 
1 1 1  -19    8   38 o  296.125   5.0091  595.490   20.097  585.501   28.539  605.315   28.304  293.654   7.1718  298.596   6.9950 -4.942688 10.01820 
1 1 1  -19    8   39 o  206.383   4.6867  288.346   13.090  307.250   19.090  271.571   17.983  212.750   6.6214  200.016   6.6346 12.73439 9.373413 
1 1 1  -19    8   40 o  257.647   4.8313  450.578   16.851  423.029   23.598  479.242   24.070  249.602   6.9765  265.691   6.6853 -16.08966 9.662585 
1 1 1  -19    8   41 o  191.277   5.9644  244.619   14.395  237.820   17.315  259.837   25.903  187.150   6.8272  195.404   9.7820 -8.254166 11.92890 
1 1 1  -19    8   42 o  167.030   5.9901  184.398   12.637  175.755   15.153  204.139   22.901  160.873   6.9506  173.187   9.7578 -12.31380 11.98026 
1 1 1  -19    8   43 o  259.656   4.8872  457.621   17.191  469.888   24.677  446.052   23.963  263.034   6.9230  256.278   6.9000 6.756226 9.774395 
1 1 1  -19    8   44 o  289.103   5.9455  550.580   22.113  515.161   26.910  624.210   38.800  275.373   7.2114  302.833   9.4547 -27.46002 11.89099 
1 1 1  -19    8   45 o  292.774   6.0598  586.222   23.048  594.487   28.870  571.697   38.273  295.801   7.2022  289.746   9.7474 6.054718 12.11952 
1 1 1  -19    8   46 o  129.007   7.3569  113.102   12.862  113.102   12.862   0.0000   0.0000  129.007   7.3569  ?   ?       ?      ? 
1 1 1  -19    8   47 o  214.656   4.8200  311.898   13.994  338.023   20.476  289.000   19.170  223.064   6.7740  206.248   6.8589 16.81570 9.640078 
1 1 1  -19    8   48 o  297.805   5.1356  602.844   20.719  583.310   29.215  622.610   29.388  292.939   7.3594  302.672   7.1649 -9.732819 10.27110 
1 1 1  -19    8   49 o  374.106   5.6264  948.987   28.478  1010.07   41.706  895.630   38.980  385.344   7.9868  362.869   7.9269 22.47485 11.25275 
1 1 1  -19    8   50 o  342.740   5.4080  798.894   25.114  800.344   35.851  797.496   35.191  343.035   7.7122  342.445   7.5832 0.5895081 10.81591 
1 1 1  -19    8   51 o  253.424   6.1359  428.738   19.501  459.958   35.561  415.313   23.320  259.667   10.106  247.181   6.9620 12.48654 12.27180 
1 1 1  -19    8   52 o  233.715   6.3507  381.023   18.420  349.552   32.883  395.415   22.237  226.240   10.726  241.191   6.8034 -14.95042 12.70138 
1 1 1  -19    8   53 o  188.220   5.9980  240.481   14.286  243.484   25.274  239.070   17.318  188.911   9.8725  187.530   6.8145 1.381592 11.99600 
1 1 1  -19    8   54 o  163.540   5.0631  182.447   11.182  173.454   16.242  190.550   15.418  159.667   7.5067  167.413   6.7962 -7.746094 10.12619 
1 1 1  -19    8   55 o  246.623   4.9991  413.729   16.690  389.369   23.449  438.741   23.760  239.243   7.2328  254.003   6.9029 -14.76059 9.998142 
1 1 1  -19    8   56 o  283.236   5.1447  545.015   19.731  567.549   28.598  524.542   27.258  288.810   7.3071  277.661   7.2443 11.14816 10.28949 
1 1 1  -19    8   57 o  179.855   6.4879  213.715   14.788  201.964   17.761  240.275   26.702  172.241   7.6092  187.469   10.511 -15.22729 12.97588 
1 1 1  -19    8   58 o  302.275   5.2531  621.586   21.508  634.215   31.001  609.866   29.864  305.221   7.4951  299.329   7.3624 5.891754 10.50626 
1 1 1  -19    8   59 o  219.603   4.9741  328.560   14.782  310.276   20.984  346.571   20.827  213.501   7.2528  225.705   6.8092 -12.20357 9.948262 
1 1 1  -19    8   60 o  175.719   5.0273  210.017   11.961  213.786   17.344  206.599   16.516  177.208   7.2225  174.229   6.9952 2.978745 10.05468 
1 1 1  -19    8   61 o  201.736   5.0372  277.638   13.740  258.631   19.553  296.176   19.311  194.863   7.4048  208.609   6.8310 -13.74583 10.07442 
1 1 1  -19    8   62 o  254.862   5.1052  442.666   17.622  432.744   25.167  452.209   24.681  252.031   7.3688  257.693   7.0677 -5.662064 10.21043 
1 1 1  -19    8   63 o  293.875   5.2663  588.107   20.958  602.122   30.334  575.308   28.989  297.202   7.5318  290.548   7.3627 6.653809 10.53266 
1 1 1  -19    8   64 o  125.956   5.6253  108.374   9.5804  106.629   13.957  109.929   13.174  124.963   8.2420  126.949   7.6579 -1.985573 11.25055 
1 1 1  -19    8   65 f  225.173   5.9590  339.930   17.478  323.698   21.660  370.224   29.590  217.852   7.3369  232.495   9.3919 -14.64284 11.91797 
1 1 1  -19    8   66 o  179.598   7.0565  222.640   17.079  203.731   24.729  239.884   23.615  172.117   10.602  187.080   9.3151 -14.96341 14.11298 
1 1 1  -19    8   67 o  227.987   5.1566  354.923   15.900  354.636   23.218  355.176   21.819  227.845   7.5198  228.129   7.0580 -0.2842255 10.31325 
1 1 1  -19    8   68 o  170.780   6.2682  196.475   13.558  210.232   24.241  190.212   16.356  174.701   10.239  166.859   7.2333 7.841995 12.53648 
1 1 1  -19    8   69 o  111.951   10.918   86.672   16.564   0.0000   0.0000   86.672   16.564  ?   ?   111.951   10.918      ?      ? 
1 1 1  -19    8   70 o   91.784   10.951   61.710   12.959   45.433   18.438   77.599   18.217   78.161   17.805  105.406   12.753 -27.24458 21.90133 
1 1 1  -19    8   71 o  142.224   8.0607  140.903   15.481  126.616   21.740  155.600   22.050  134.731   11.907  149.716   10.868 -14.98462 16.12139 
1 1 1  -19    8   72 o  197.869   7.4318  271.975   19.926  270.106   28.308  273.810   28.052  197.156   10.596  198.583   10.424 -1.426819 14.86365 
1 1 1  -19    8   73 o   56.527   9.0892   23.804   6.8353   18.760   10.103   28.060   9.2819   50.592   14.171   62.461   11.385 -11.86928 18.17845 
1 1 1  -19    8   74 o   79.530   6.9108   44.078   7.4198   42.689   10.869   45.291   10.154   78.251   10.250   80.808   9.2724 -2.556549 13.82164 
1 1 1  -19    8   75 o   68.380   7.5446   32.636   6.9761   35.092   10.274   30.535   9.5022   70.747   10.717   66.013   10.622 4.734406 15.08917 
1 1 1  -19    8   76 o   66.100   8.0066   31.761   6.8987   27.161   10.131   35.738   9.4200   60.691   12.725   71.510   9.7207 -10.81959 16.01321 
1 1 1  -19    8   77 o  104.230   5.8509   75.061   8.2427   81.667   12.180   69.479   11.196  108.434   8.2892  100.025   8.2595 8.409134 11.70171 
1 1 1  -19    8   78 o   59.714   8.6505   26.935   6.8272   19.391   10.094   33.295   9.2688   50.676   14.155   68.751   9.9486 -18.07465 17.30106 
1 1 1  -19    8   79 o  107.349   6.9839   80.458   9.5707   84.335   16.724   78.570   11.671  108.534   11.371  106.165   8.1122 2.368660 13.96788 
1 1 1  -19    8   80 o  110.758   7.2356   90.142   10.020   78.924   17.274   95.831   12.301  104.261   12.226  117.256   7.7414 -12.99476 14.47117 
1 1 1  -19    8   81 o   27.298   8.8548  -5.8714   7.4826  -8.8202   10.949  -3.2869   10.250   26.304   12.308   28.293   12.733 -1.988844 17.70962 
1 1 1  -19    8   82 o   64.127   10.528   31.598   9.1118   44.082   13.767   21.867   12.155   75.770   13.921   52.484   15.797 23.28589 21.05578 
1 1 1  -19    8   83 o  100.745   11.798   74.561   16.107   74.561   16.107   0.0000   0.0000  100.745   11.798  ?   ?       ?      ? 
1 1 1  -19    8   84 o   67.269   15.378   36.359   13.713   36.359   13.713   0.0000   0.0000   67.269   15.378  ?   ?       ?      ? 
1 1 1  -19    8   85 o   44.134   16.051   14.564   12.425   14.564   12.425   0.0000   0.0000   44.134   16.051  ?   ?       ?      ? 
1 1 1  -19    9    1 o  200.051   6.2852  273.889   16.602  261.858   26.346  281.813   21.382  196.327   9.9026  203.775   7.7431 -7.448425 12.57044 
1 1 1  -19    9    2 o  314.662   7.0281  669.335   29.703  696.702   45.501  649.011   39.210  320.193   10.486  309.131   9.3600 11.06125 14.05616 
1 1 1  -19    9    3 o  457.133   7.2458  1392.95   42.369  1341.51   51.520  1500.43   74.470  444.533   8.5524  469.734   11.699 -25.20163 14.49165 
1 1 1  -19    9    4 o  340.615   6.1198  794.924   27.193  815.762   34.356  759.978   44.492  346.740   7.3117  334.489   9.8156 12.25122 12.23956 
1 1 1  -19    9    5 o  235.516   5.2324  376.171   16.214  375.573   20.591  377.148   26.306  235.309   6.4573  235.723   8.2350 -0.4138641 10.46475 
1 1 1  -19    9    6 o  289.778   5.6707  574.124   21.504  586.801   27.257  553.225   34.998  294.110   6.8389  285.445   9.0476 8.665527 11.34148 
1 1 1  -19    9    7 o  295.901   6.9052  593.976   27.689  593.976   27.689   0.0000   0.0000  295.901   6.9052  ?   ?       ?      ? 
1 1 1  -19    9    8 o  452.375   7.2848  1408.37   42.862  1458.61   54.090  1323.58   70.269  463.541   8.6109  441.209   11.753 22.33185 14.56953 
1 1 1  -19    9    9 o  352.219   6.1764  823.409   28.042  784.267   34.307  902.216   48.678  339.980   7.4464  364.459   9.8561 -24.47949 12.35277 
1 1 1  -19    9   10 o  329.721   6.0999  752.167   26.314  799.240   33.749  679.172   42.026  343.222   7.2560  316.220   9.8073 27.00223 12.19971 
1 1 1  -19    9   11 o  485.158   7.5878  1563.47   46.956  1497.31   56.874  1705.10   83.220  469.616   8.9370  500.698   12.265 -31.08194 15.17568 
1 1 1  -19    9   12 o  284.626   5.7091  557.150   21.318  581.534   27.290  518.979   34.145  292.786   6.8782  276.466   9.1139 16.32025 11.41814 
1 1 1  -19    9   13 o  306.328   5.8041  630.023   23.165  612.709   28.829  661.568   38.914  300.520   7.0790  312.135   9.1999 -11.61526 11.60819 
1 1 1  -19    9   14 o  238.726   5.2939  378.268   16.607  354.418   20.783  420.401   27.623  228.576   6.7096  248.875   8.1905 -20.29912 10.58785 
1 1 1  -19    9   15 o  348.024   6.1984  803.366   27.854  763.075   34.125  883.790   48.213  335.344   7.5093  360.704   9.8635 -25.36020 12.39670 
1 1 1  -19    9   16 o  429.449   7.1460  1282.20   40.151  1384.86   51.792  1127.57   63.562  451.667   8.4618  407.230   11.518 44.43671 14.29210 
1 1 1  -19    9   17 o  349.176   7.4630  830.692   35.157  803.409   51.730  854.109   47.925  343.779   11.104  354.572   9.9742 -10.79346 14.92598 
1 1 1  -19    9   18 o  196.805   5.4298  264.772   14.324  278.155   19.204  247.988   21.506  202.479   6.9990  191.132   8.3032 11.34676 10.85955 
1 1 1  -19    9   19 o  400.427   6.3205  1067.04   30.205  1043.74   35.009  1134.89   59.743  392.249   6.5862  408.606   10.790 -16.35721 12.64090 
1 1 1  -19    9   20 o  268.391   5.2897  490.615   17.473  493.106   20.776  484.595   32.297  269.648   5.6857  267.134   8.9218 2.514130 10.57949 
1 1 1  -19    9   21 o  337.914   5.7888  762.769   23.619  748.323   27.578  802.524   45.750  332.150   6.1271  343.678   9.8233 -11.52826 11.57750 
1 1 1  -19    9   22 o  198.997   4.9054  263.922   12.223  256.561   14.607  281.113   22.324  194.502   5.5418  203.492   8.0956 -8.990036 9.810747 
1 1 1  -19    9   23 o  281.922   5.7519  539.067   21.975  539.067   21.975   0.0000   0.0000  281.922   5.7519  ?   ?       ?      ? 
1 1 1  -19    9   24 o  219.499   5.5274  326.760   16.441  326.760   16.441   0.0000   0.0000  219.499   5.5274  ?   ?       ?      ? 
1 1 1  -19    9   25 o  272.424   6.8215  503.597   25.183  503.597   25.183   0.0000   0.0000  272.424   6.8215  ?   ?       ?      ? 
1 1 1  -19    9   26 o  227.032   6.5681  349.731   20.207  349.731   20.207   0.0000   0.0000  227.032   6.5681  ?   ?       ?      ? 
1 1 1  -19    9   27 o  256.990   4.7075  448.344   16.387  436.828   23.293  459.628   23.059  253.715   6.7749  260.265   6.5379 -6.550598 9.415042 
1 1 1  -19    9   28 f  145.510   4.5998  143.732   9.0537  142.648   13.181  144.699   12.457  144.984   6.7091  146.036   6.2946 -1.052246 9.199630 
1 1 1  -19    9   29 o  197.608   4.5534  265.189   12.183  256.950   17.397  273.118   17.068  194.587   6.5975  200.630   6.2777 -6.043137 9.106892 
1 1 1  -19    9   30 o  268.743   4.8107  490.305   17.514  484.487   24.992  495.920   24.552  267.169   6.9028  270.316   6.7024 -3.147552 9.621365 
1 1 1  -19    9   31 o  270.152   4.8225  495.262   17.649  499.390   25.337  491.371   24.597  271.240   6.8932  269.064   6.7459 2.176331 9.644906 
1 1 1  -19    9   32 o  272.800   4.8637  504.982   17.951  466.603   25.084  545.272   25.701  262.166   7.0604  283.434   6.6913 -21.26810 9.727400 
1 1 1  -19    9   33 o  211.796   4.6524  303.872   13.334  315.367   19.492  293.762   18.281  215.548   6.6733  208.044   6.4843 7.503967 9.304775 
1 1 1  -19    9   34 o  381.803   6.8770  972.505   32.979  1042.24   59.962  942.265   39.488  391.164   11.312  372.443   7.8238 18.72034 13.75401 
1 1 1  -19    9   35 o  400.924   5.7530  1090.93   31.229  1028.83   43.420  1157.47   44.947  389.104   8.2346  412.743   8.0360 -23.63910 11.50593 
1 1 1  -19    9   36 o  213.500   4.6929  308.938   13.565  321.176   19.720  297.947   18.689  217.503   6.6904  209.497   6.5829 8.006287 9.385895 
1 1 1  -19    9   37 o  171.066   4.6877  199.063   10.846  188.801   15.540  208.808   15.144  166.747   6.8774  175.386   6.3718 -8.639450 9.375381 
1 1 1  -19    9   38 o  127.787   4.9864  111.102   8.6183  106.493   12.406  115.401   11.981  125.210   7.3116  130.364   6.7821 -5.154083 9.972835 
1 1 1  -19    9   39 o  256.783   4.8529  446.510   16.863  476.267   24.618  420.208   23.145  264.820   6.8601  248.746   6.8661 16.07356 9.705838 
1 1 1  -19    9   40 o  415.621   8.3359  1174.55   46.950  1174.55   46.950   0.0000   0.0000  415.621   8.3359  ?   ?       ?      ? 
1 1 1  -19    9   41 o  347.738   6.5505  838.267   29.614  882.404   37.545  765.595   48.176  360.319   7.6892  335.158   10.607 25.16119 13.10104 
1 1 1  -19    9   42 o  349.971   6.4496  820.879   29.110  793.565   35.741  874.710   50.175  341.677   7.7190  358.265   10.335 -16.58759 12.89922 
1 1 1  -19    9   43 o  405.549   8.2661  1118.66   45.428  1118.66   45.428   0.0000   0.0000  405.549   8.2661  ?   ?       ?      ? 
1 1 1  -19    9   44 o  191.180   4.7609  248.453   12.323  244.180   17.720  252.455   17.149  189.575   6.8976  192.785   6.5641 -3.210373 9.521745 
1 1 1  -19    9   45 o   73.490   6.9823   36.811   6.9277   36.776   10.246   36.841   9.4028   73.440   10.295   73.541   9.4351 -0.1016769 13.96462 
1 1 1  -19    9   46 o  185.867   4.8375  233.820   12.159  250.421   17.902  219.601   16.568  191.964   6.8816  179.770   6.8008 12.19435 9.675084 
1 1 1  -19    9   47 o  231.499   4.8564  363.252   15.212  382.209   22.270  346.668   20.829  237.140   6.9300  225.858   6.8054 11.28214 9.712779 
1 1 1  -19    9   48 o  178.768   4.8621  217.243   11.760  216.781   17.107  217.656   16.194  178.572   7.0692  178.964   6.6773 -0.3918915 9.724191 
1 1 1  -19    9   49 o  157.897   4.9482  169.539   10.565  168.814   15.439  170.179   14.488  157.561   7.2307  158.233   6.7569 -0.6715698 9.896335 
1 1 1  -19    9   50 o  133.296   7.0689  120.816   12.769   0.0000   0.0000  120.816   12.769  ?   ?   133.296   7.0689      ?      ? 
1 1 1  -19    9   51 o  169.678   6.0979  194.886   12.922  199.386   23.479  192.931   15.476  170.898   10.138  168.458   6.7793 2.439865 12.19590 
1 1 1  -19    9   52 o  244.918   4.9531  407.579   16.425  416.548   23.817  399.444   22.683  247.473   7.1019  242.364   6.9063 5.109116 9.906261 
1 1 1  -19    9   53 o  175.942   4.9858  211.324   11.844  195.292   17.013  226.400   16.498  169.408   7.4109  182.476   6.6717 -13.06827 9.971643 
1 1 1  -19    9   54 f  196.630   5.0470  263.510   13.421  253.907   19.384  272.351   18.599  193.153   7.4058  200.108   6.8587 -6.955002 10.09391 
1 1 1  -19    9   55 o  289.539   5.2444  569.408   20.555  600.976   29.886  541.070   28.316  297.137   7.4221  281.941   7.4112 15.19617 10.48870 
1 1 1  -19    9   56 o  222.269   6.2218  333.544   17.642  326.985   21.481  347.138   30.924  219.185   7.2322  225.354   10.126 -6.168594 12.44370 
1 1 1  -19    9   57 o  310.740   5.3056  657.797   22.329  632.721   31.587  682.845   31.569  304.788   7.6476  316.692   7.3561 -11.90411 10.61115 
1 1 1  -19    9   58 o   75.297   8.1079   41.520   7.6319   28.140   11.315   52.687   10.337   62.720   13.696   87.873   8.6810 -25.15263 16.21578 
1 1 1  -19    9   59 o  135.924   5.3648  125.982   9.8577  124.451   14.404  127.330   13.520  135.118   7.8663  136.730   7.2969 -1.611481 10.72958 
1 1 1  -19    9   60 o  140.838   5.3120  135.258   10.109  134.111   14.836  136.252   13.812  140.248   7.8061  141.428   7.2066 -1.179871 10.62402 
1 1 1  -19    9   61 o  143.993   5.3238  140.775   10.364  150.070   15.307  132.907   14.084  148.353   7.6139  139.632   7.4432 8.721085 10.64769 
1 1 1  -19    9   62 o  170.800   5.0926  199.010   11.767  196.098   17.079  201.642   16.235  169.576   7.4321  172.024   6.9643 -2.447739 10.18516 
1 1 1  -19    9   63 o   81.197   7.9471   44.889   8.6524   42.208   11.311   48.670   13.434   78.370   10.651   84.023   11.798 -5.652596 15.89426 
1 1 1  -19    9   64 o  250.352   6.1450  436.158   20.173  460.853   25.923  398.242   32.121  259.845   7.3619  240.859   9.8410 18.98589 12.28998 
1 1 1  -19    9   65 o  183.105   9.3697  230.111   23.249   0.0000   0.0000  230.111   23.249  ?   ?   183.105   9.3697      ?      ? 
1 1 1  -19    9   66 o   92.683   6.5598   59.027   8.1555   58.866   12.436   59.150   10.803   92.481   9.9229   92.886   8.5825 -0.4050217 13.11951 
1 1 1  -19    9   67 o  126.290   5.6104  109.894   9.5285  102.932   14.095  115.754   12.931  122.485   8.4916  130.095   7.3349 -7.610191 11.22082 
1 1 1  -19    9   68 o   90.760   6.4745   56.404   7.9265   59.744   11.912   53.750   10.619   93.114   9.4401   88.407   8.8636 4.706612 12.94904 
1 1 1  -19    9   69 o   89.981   6.7353   54.809   8.0906   70.142   12.338   43.243   10.716  100.893   9.0244   79.068   10.001 21.82434 13.47068 
1 1 1  -19    9   70 f  133.909   8.0028  125.164   14.445  109.296   20.193  141.794   20.671  125.000   11.921  142.817   10.681 -17.81779 16.00561 
1 1 1  -19    9   71 o  140.828   5.3805  136.883   10.223  124.988   14.666  148.124   14.258  134.738   8.0322  146.918   7.1612 -12.18010 10.76100 
1 1 1  -19    9   72 f  100.491   6.0496   69.772   8.2164   70.108   12.078   69.481   11.210  100.647   8.8556  100.336   8.2443 0.3105469 12.09922 
1 1 1  -19    9   73 o  109.113   5.9086   82.718   8.6963   76.095   12.539   88.856   12.071  104.755   8.8331  113.471   7.8501 -8.716164 11.81729 
1 1 1  -19    9   74 o  110.339   6.9119   78.883   9.6279  102.705   17.930   69.232   11.413  120.756   10.957   99.922   8.4285 20.83402 13.82383 
1 1 1  -19    9   75 o  108.768   7.2571   84.508   10.008   79.192   17.205   87.227   12.303  105.390   12.047  112.145   8.0957 -6.755226 14.51428 
1 1 1  -19    9   76 f   74.351   9.1628   36.878   8.5999   29.973   10.328   52.494   15.532   63.673   12.415   85.029   13.479 -21.35570 18.32559 
1 1 1  -19    9   77 o   80.981   6.8449   46.248   7.4992   49.497   10.654   43.059   10.557   83.899   9.3708   78.062   9.9800 5.836838 13.68989 
1 1 1  -19    9   78 o   54.561   9.3465   25.740   7.6889   5.7529   13.546   35.241   9.3393   38.567   15.938   70.556   9.7679 -31.98841 18.69302 
1 1 1  -19    9   79 o   93.712   8.5603   65.311   10.586   52.815   15.633   75.891   14.385   84.349   13.677  103.076   10.299 -18.72659 17.12066 
1 1 1  -19    9   80 o   58.764   10.432   27.898   8.8479   15.008   12.926   39.262   12.137   45.467   16.397   72.060   12.903 -26.59243 20.86442 
1 1 1  -19    9   81 o   43.715   11.038   13.982   8.2751   12.290   12.551   15.282   11.006   42.520   16.010   44.910   15.200 -2.390457 22.07614 
1 1 1  -19    9   82 o   38.697   15.532   8.1884   12.426   8.1884   12.426   0.0000   0.0000   38.697   15.532  ?   ?       ?      ? 
1 1 1  -19    9   83 o   73.668   14.945   43.229   14.409   43.229   14.409   0.0000   0.0000   73.668   14.945  ?   ?       ?      ? 
1 1 1  -19    9   84 o   40.506   15.771   10.717   12.459   10.717   12.459   0.0000   0.0000   40.506   15.771  ?   ?       ?      ? 
1 1 1  -19   10    1 o  417.530   5.7666  1183.77   32.625  1173.62   45.733  1194.30   46.554  415.712   8.1181  419.349   8.1922 -3.637115 11.53325 
1 1 1  -19   10    2 o  329.872   5.1137  738.581   22.857  736.003   32.088  741.237   32.568  329.291   7.1909  330.453   7.2727 -1.162201 10.22747 
1 1 1  -19   10    3 o  287.611   4.8440  561.315   18.879  555.411   26.535  567.366   26.864  286.080   6.8446  289.142   6.8562 -3.061646 9.687972 
1 1 1  -19   10    4 o  246.578   4.6332  412.545   15.481  409.392   21.826  415.737   21.962  245.630   6.5571  247.527   6.5475 -1.896591 9.266366 
1 1 1  -19   10    5 o  118.864   12.098   96.195   19.488   0.0000   0.0000   96.195   19.488  ?   ?   118.864   12.098      ?      ? 
1 1 1  -19   10    6 o  214.690   4.5266  312.665   13.166  323.240   18.751  302.382   18.490  218.272   6.3392  211.107   6.4633 7.165192 9.053209 
1 1 1  -19   10    7 o   83.011   5.3059   46.755   5.8164   46.681   7.4315   46.872   9.3447   82.943   6.6117   83.079   8.3003 -0.1353989 10.61174 
1 1 1  -19   10    8 o   65.786   5.7644   28.842   5.0848   25.722   6.6303   33.297   7.9232   61.550   7.9492   70.022   8.3500 -8.472118 11.52874 
1 1 1  -19   10    9 o  202.346   4.8131  278.883   12.133  280.507   14.559  275.189   21.954  203.375   5.2825  201.317   8.0472 2.057816 9.626173 
1 1 1  -19   10   10 o  207.055   4.8289  289.196   12.462  286.555   14.902  295.336   22.725  205.553   5.3499  208.557   8.0407 -3.003372 9.657869 
1 1 1  -19   10   11 o   64.447   6.1517   28.032   5.3224   26.974   7.0057   29.477   8.1851   63.026   8.2025   65.867   9.1701 -2.840363 12.30335 
1 1 1  -19   10   12 o   83.938   5.3621   47.009   5.9891   43.802   7.6655   52.034   9.5956   80.337   7.0411   87.539   8.0889 -7.201515 10.72415 
1 1 1  -19   10   13 o  223.815   4.8921  335.908   13.595  330.039   16.178  350.014   25.079  220.595   5.4117  227.034   8.1514 -6.438828 9.784265 
1 1 1  -19   10   14 o  100.690   5.2134   71.037   6.7871   77.597   8.6550   60.562   10.937  106.952   5.9717   94.428   8.5473 12.52415 10.42676 
1 1 1  -19   10   15 o  254.170   5.5583  438.378   18.757  437.373   24.199  439.891   29.685  253.858   7.0345  254.483   8.6080 -0.6250305 11.11669 
1 1 1  -19   10   16 o  286.303   5.8137  557.884   22.007  562.300   28.247  551.062   35.106  287.822   7.2421  284.785   9.0966 3.036163 11.62738 
1 1 1  -19   10   17 o  323.620   5.7888  734.931   22.978  770.548   27.588  654.250   41.522  337.018   6.0407  310.222   9.8769 26.79562 11.57767 
1 1 1  -19   10   18 o  408.099   6.4801  1147.32   32.019  1167.20   37.792  1096.77   60.277  414.721   6.7245  401.478   11.079 13.24332 12.96018 
1 1 1  -19   10   19 o  309.271   5.5761  648.607   21.038  647.454   24.825  651.546   39.628  308.930   5.9298  309.611   9.4450 -0.6811829 11.15218 
1 1 1  -19   10   20 o  183.172   5.0771  237.250   11.619  255.075   14.255  201.962   20.056  193.923   5.4244  172.420   8.5839 21.50298 10.15417 
1 1 1  -19   10   21 o  338.250   5.7383  742.981   23.202  707.595   26.768  849.888   46.527  322.940   6.1166  353.560   9.7109 -30.61981 11.47669 
1 1 1  -19   10   22 o  219.880   5.5424  327.957   16.514  327.957   16.514   0.0000   0.0000  219.880   5.5424  ?   ?       ?      ? 
1 1 1  -19   10   23 o  142.295   4.8575  132.632   8.9006  123.017   10.828  152.663   15.629  134.654   5.9340  149.937   7.6921 -15.28282 9.714918 
1 1 1  -19   10   24 o  168.358   5.1253  202.259   10.771  221.554   13.292  165.353   18.382  180.725   5.4272  155.991   8.6960 24.73372 10.25061 
1 1 1  -19   10   25 o  306.561   5.5442  622.411   20.595  603.763   24.040  673.852   39.927  298.302   5.9469  314.819   9.3589 -16.51767 11.08849 
1 1 1  -19   10   26 o  267.468   5.3630  491.322   17.676  499.288   21.099  472.564   32.376  271.277   5.7393  263.658   9.0614 7.618835 10.72604 
1 1 1  -19   10   27 o  369.099   6.1041  910.570   27.068  893.318   31.515  959.099   52.856  362.795   6.4102  375.403   10.390 -12.60773 12.20820 
1 1 1  -19   10   28 o  308.509   7.1887  646.292   30.054  646.292   30.054   0.0000   0.0000  308.509   7.1887  ?   ?       ?      ? 
1 1 1  -19   10   29 o  323.411   5.1254  710.185   22.449  676.836   31.510  744.561   31.992  315.690   7.3655  331.132   7.1294 -15.44193 10.25080 
1 1 1  -19   10   30 o  251.419   4.7506  429.489   16.164  403.381   22.833  455.720   22.886  243.739   6.9127  259.100   6.5182 -15.36044 9.501195 
1 1 1  -19   10   31 o  231.676   4.6736  364.680   14.646  337.739   20.630  392.058   20.796  223.027   6.8259  240.325   6.3856 -17.29817 9.347136 
1 1 1  -19   10   32 o  149.662   6.0945  155.945   11.108  143.834   20.512  160.970   13.213  145.333   10.415  153.990   6.3320 -8.656693 12.18891 
1 1 1  -19   10   33 o  330.884   6.4743  747.897   27.053  736.161   47.710  753.459   32.844  328.720   10.710  333.047   7.2772 -4.327240 12.94869 
1 1 1  -19   10   34 o  236.346   4.7474  379.634   15.185  356.889   21.461  402.435   21.488  229.236   6.9087  243.456   6.5131 -14.22020 9.494775 
1 1 1  -19   10   35 o  118.887   5.7782   96.986   9.1639  101.911   12.130   90.439   13.987  122.476   7.3083  115.299   8.9521 7.176620 11.55643 
1 1 1  -19   10   36 o  190.743   5.6823  256.977   14.098  296.911   18.542  202.254   21.706  209.100   6.5437  172.386   9.2916 36.71446 11.36460 
1 1 1  -19   10   37 o  198.902   5.5132  266.681   14.373  260.327   18.053  277.681   23.754  195.770   6.8049  202.035   8.6761 -6.264206 11.02641 
1 1 1  -19   10   38 o  252.158   6.2622  429.229   19.742  423.832   23.650  441.636   35.854  249.768   6.9873  254.547   10.394 -4.778839 12.52443 
1 1 1  -19   10   39 o  262.057   6.1233  462.916   20.349  455.082   24.649  479.680   36.058  258.798   7.0285  265.317   10.029 -6.518494 12.24669 
1 1 1  -19   10   40 o  207.340   4.7465  291.541   13.320  302.040   19.431  282.234   18.295  210.848   6.8006  203.832   6.6233 7.015900 9.493003 
1 1 1  -19   10   41 o  106.233   5.5208   76.653   7.9046   77.636   11.845   75.864   10.614  106.827   8.1820  105.639   7.4142 1.187813 11.04155 
1 1 1  -19   10   42 o  321.075   7.4902  700.933   32.590  700.933   32.590   0.0000   0.0000  321.075   7.4902  ?   ?       ?      ? 
1 1 1  -19   10   43 o  291.217   5.0965  576.498   20.102  577.711   28.918  575.363   27.963  291.498   7.3207  290.935   7.0925 0.5624695 10.19298 
1 1 1  -19   10   44 o  445.871   6.1546  1353.49   37.179  1365.39   53.212  1342.15   51.969  447.768   8.7694  443.973   8.6379 3.794800 12.30922 
1 1 1  -19   10   45 o  218.348   4.8552  324.342   14.349  317.514   20.667  330.696   19.938  216.108   7.0572  220.588   6.6700 -4.480179 9.710439 
1 1 1  -19   10   46 o  176.367   6.0668  217.839   13.404  195.574   23.386  228.733   16.358  169.279   10.195  183.455   6.5799 -14.17612 12.13356 
1 1 1  -19   10   47 o  261.482   6.0505  454.762   19.929  495.345   36.165  437.063   23.883  269.428   9.9052  253.535   6.9513 15.89273 12.10092 
1 1 1  -19   10   48 o  206.170   6.1462  268.090   15.396  339.112   30.654  244.130   17.804  222.862   10.150  189.478   6.9341 33.38414 12.29240 
1 1 1  -19   10   49 o  255.746   6.2552  459.973   20.178  405.168   34.557  488.326   24.856  243.514   10.472  267.979   6.8446 -24.46507 12.51042 
1 1 1  -19   10   50 o  164.790   4.9458  184.683   11.026  185.182   16.077  184.239   15.151  164.983   7.1908  164.598   6.7924 0.3844910 9.891606 
1 1 1  -19   10   51 f  161.717   5.2322  179.411   11.331  148.120   16.041  210.574   16.009  147.467   8.0271  175.967   6.7133 -28.49971 10.46435 
1 1 1  -19   10   52 o  325.447   5.3793  721.257   23.714  716.356   33.972  725.915   33.117  324.343   7.7292  326.550   7.4838 -2.207703 10.75859 
1 1 1  -19   10   53 o  200.419   4.9753  274.163   13.466  250.842   19.194  296.769   18.898  191.958   7.3787  208.881   6.6761 -16.92317 9.950651 
1 1 1  -19   10   54 o  132.288   6.7016  119.101   11.398  118.186   14.030  120.875   19.547  131.708   7.8605  132.867   10.856 -1.159317 13.40328 
1 1 1  -19   10   55 o  155.383   5.2309  163.823   10.991  173.648   16.205  155.452   14.957  159.673   7.4891  151.094   7.3051 8.578537 10.46188 
1 1 1  -19   10   56 o  274.379   5.1288  512.998   19.050  485.039   26.898  541.132   26.983  266.839   7.4386  281.920   7.0628 -15.08157 10.25750 
1 1 1  -19   10   57 o   81.957   7.5490   48.923   7.7159   33.712   11.457   61.548   10.438   68.923   12.736   94.990   8.1088 -26.06647 15.09797 
1 1 1  -19   10   58 o  173.519   5.0758  205.120   11.906  205.449   17.465  204.835   16.273  173.616   7.4234  173.423   6.9244 0.1932068 10.15159 
1 1 1  -19   10   59 f  179.393   5.0756  218.844   12.322  228.686   18.014  210.190   16.892  183.163   7.2574  175.623   7.0977 7.540314 10.15121 
1 1 1  -19   10   60 o   66.884   10.855   32.941   9.4748   29.085   15.215   35.383   12.109   63.325   17.259   70.444   13.169 -7.119560 21.70922 
1 1 1  -19   10   61 o   95.776   8.5263   62.158   10.843   69.156   17.499   57.797   13.815   99.936   12.922   91.615   11.128 8.320503 17.05260 
1 1 1  -19   10   62 o  109.068   6.7248   80.829   9.8547   75.825   12.966   87.673   15.164  105.170   9.0979  112.966   9.9055 -7.796150 13.44955 
1 1 1  -19   10   63 o   78.598   9.2114   43.354   8.5311   44.304   16.219   42.990   10.031   78.073   15.871   79.123   9.3552 -1.050385 18.42288 
1 1 1  -19   10   64 o  119.509   6.9912   94.784   10.398  107.447   19.433   89.705   12.307  124.557   11.513  114.462   7.9346 10.09484 13.98249 
1 1 1  -19   10   65 o   61.998   8.7687   27.293   7.0472   30.355   10.881   25.080   9.2494   64.919   12.823   59.076   11.964 5.843201 17.53741 
1 1 1  -19   10   66 o  104.518   6.1418   76.888   8.4884   62.518   12.603   88.820   11.484   95.164   9.7726  113.873   7.4419 -18.70852 12.28359 
1 1 1  -19   10   67 o   91.152   6.5480   57.054   8.0114   59.329   12.301   55.379   10.558   92.624   9.7999   89.681   8.6872 2.942467 13.09605 
1 1 1  -19   10   68 o   71.259   11.279   37.897   11.033   24.563   15.788   50.623   15.423   57.855   18.116   84.663   13.443 -26.80799 22.55893 
1 1 1  -19   10   69 o   81.597   9.0465   48.212   9.3139   49.882   11.742   45.378   15.296   84.675   10.233   78.518   14.921 6.157433 18.09294 
1 1 1  -19   10   70 f  107.548   5.8401   79.363   8.4805   85.853   12.672   74.099   11.413  111.473   8.3889  103.623   8.1274 7.849739 11.68025 
1 1 1  -19   10   71 o  182.489   5.0651  228.911   12.500  233.350   18.347  225.065   17.077  184.062   7.3555  180.917   6.9656 3.144897 10.13028 
1 1 1  -19   10   72 o  157.623   5.1608  171.158   10.999  173.981   16.152  168.716   15.020  158.753   7.5079  156.492   7.0828 2.261246 10.32160 
1 1 1  -19   10   73 o  127.609   5.4978  112.993   9.4696  109.909   13.909  115.657   12.929  125.845   8.1559  129.374   7.3745 -3.528824 10.99551 
1 1 1  -19   10   74 o   57.963   8.4900   24.080   6.5735   32.259   9.8822   17.588   8.8036   67.450   10.812   48.475   13.093 18.97500 16.98009 
1 1 1  -19   10   75 o  109.573   5.6876   84.008   8.4038   77.223   12.131   90.268   11.653  105.119   8.5161  114.027   7.5411 -8.907593 11.37511 
1 1 1  -19   10   76 o   89.612   7.5494   57.061   8.5422   58.063   15.107   56.591   10.357   89.353   12.476   89.871   8.5041 -0.5185394 15.09874 
1 1 1  -19   10   77 o   99.317   7.3702   70.183   9.1829   71.491   16.431   69.589   11.074   98.991   12.248   99.644   8.2010 -0.6533890 14.74038 
1 1 1  -19   10   78 f   75.920   9.8352   42.543   9.7526   58.382   15.061   31.105   12.798   89.075   12.477   62.766   15.207 26.30938 19.67039 
1 1 1  -19   10   79 o   44.243   10.993   13.597   8.3091   20.181   12.565   8.4809   11.077   50.427   16.206   38.058   14.856 12.36945 21.98517 
1 1 1  -19   10   80 o  111.727   7.9265   91.338   11.964   90.138   17.530   92.385   16.368  110.683   11.687  112.771   10.711 -2.087517 15.85293 
1 1 1  -19   10   81 o   71.459   15.386   41.065   14.458   41.065   14.458   0.0000   0.0000   71.459   15.386  ?   ?       ?      ? 
1 1 1  -19   10   82 o   40.984   15.758   11.333   12.318   11.333   12.318   0.0000   0.0000   40.984   15.758  ?   ?       ?      ? 
1 1 1  -19   11    1 o  326.859   5.1480  725.346   22.798  716.324   31.865  734.808   32.632  324.782   7.2401  328.937   7.3206 -4.155334 10.29607 
1 1 1  -19   11    2 o  354.890   6.8651  873.480   30.524  902.665   37.071  812.030   53.791  364.560   7.5038  345.220   11.498 19.34006 13.73017 
1 1 1  -19   11    3 o  280.745   6.3045  530.975   21.824  524.264   25.872  547.529   40.634  277.887   6.8703  283.602   10.573 -5.715057 12.60906 
1 1 1  -19   11    4 o  397.177   5.6480  1071.70   30.398  1086.77   43.074  1056.74   42.904  399.964   7.9471  394.390   8.0277 5.574097 11.29605 
1 1 1  -19   11    5 o  274.749   4.8397  512.316   18.017  501.903   25.233  523.145   25.733  271.902   6.8481  277.597   6.8406 -5.694824 9.679389 
1 1 1  -19   11    6 o  185.580   4.5598  233.768   11.466  232.083   16.270  235.431   16.163  184.913   6.4929  186.247   6.4038 -1.333221 9.119577 
1 1 1  -19   11    7 o  231.468   5.0944  371.951   14.574  384.554   17.516  343.599   26.271  238.089   5.4288  224.847   8.6221 13.24188 10.18886 
1 1 1  -19   11    8 o  263.534   5.1813  465.189   16.706  456.928   19.676  486.528   31.624  259.519   5.5948  267.548   8.7224 -8.029022 10.36252 
1 1 1  -19   11    9 o  372.417   6.2670  982.844   28.514  1043.20   34.278  847.269   51.373  392.047   6.4520  352.786   10.746 39.26157 12.53403 
1 1 1  -19   11   10 o  394.698   6.3126  1057.36   29.946  1055.46   35.017  1062.54   57.774  394.334   6.5528  395.062   10.792 -0.7283020 12.62520 
1 1 1  -19   11   11 o  254.092   5.2127  443.683   16.279  451.165   19.399  425.868   29.933  257.880   5.5512  250.305   8.8246 7.574966 10.42544 
1 1 1  -19   11   12 o  232.069   5.1232  372.382   14.714  382.691   17.671  349.074   26.569  237.509   5.4903  226.630   8.6513 10.87914 10.24641 
1 1 1  -19   11   13 o  192.549   5.4587  255.112   14.036  277.758   18.884  227.153   20.983  202.270   6.8893  182.828   8.4691 19.44272 10.91737 
1 1 1  -19   11   14 o  273.512   5.8685  518.218   21.232  565.771   28.004  453.917   32.564  288.658   7.1590  258.366   9.3007 30.29214 11.73691 
1 1 1  -19   11   15 o  406.866   6.4044  1091.47   30.914  1057.00   35.639  1196.23   62.127  394.602   6.6648  419.131   10.938 -24.52899 12.80879 
1 1 1  -19   11   16 o  275.329   5.3193  506.276   17.914  495.322   21.075  534.793   34.005  270.188   5.7560  280.471   8.9470 -10.28305 10.63861 
1 1 1  -19   11   17 o  333.092   5.9049  781.127   24.093  821.917   28.934  688.893   43.509  348.010   6.1354  318.174   10.091 29.83621 11.80971 
1 1 1  -19   11   18 o  314.803   5.7201  686.912   22.071  706.283   26.334  641.180   40.463  322.608   6.0236  306.998   9.7260 15.61041 11.44025 
1 1 1  -19   11   19 o  420.310   6.5774  1177.87   32.916  1152.92   38.111  1251.12   65.308  412.084   6.8247  428.536   11.246 -16.45221 13.15482 
1 1 1  -19   11   20 o  312.211   6.0209  661.516   25.474  661.516   25.474   0.0000   0.0000  312.211   6.0209  ?   ?       ?      ? 
1 1 1  -19   11   21 o  219.656   5.1128  330.295   14.022  334.530   16.885  320.887   25.168  222.043   5.6116  217.268   8.5483 4.775314 10.22558 
1 1 1  -19   11   22 o  336.928   5.8398  766.919   23.892  761.188   28.071  781.979   45.509  334.885   6.1856  338.970   9.9073 -4.085846 11.67968 
1 1 1  -19   11   23 o  409.582   6.6023  1171.58   32.954  1213.92   39.261  1070.62   60.626  422.817   6.8522  396.348   11.288 26.46912 13.20461 
1 1 1  -19   11   24 o  437.707   6.8453  1330.21   36.336  1364.97   43.037  1243.91   67.806  448.310   7.0840  427.104   11.715 21.20581 13.69056 
1 1 1  -19   11   25 o  331.000   5.7790  732.188   23.176  717.274   27.110  772.679   44.669  325.070   6.1542  336.930   9.7833 -11.85995 11.55794 
1 1 1  -19   11   26 o  125.457   5.2007  107.805   8.4426  109.985   10.541  103.905   14.101  127.291   6.1107  123.623   8.4173 3.668365 10.40148 
1 1 1  -19   11   27 o  133.438   5.0853  122.456   8.7658  126.170   10.954  115.842   14.618  136.341   5.9286  130.535   8.2639 5.805542 10.17059 
1 1 1  -19   11   28 f   81.150   6.2796   44.748   6.9017   43.228   9.5717   46.393   9.9610   79.717   8.8604   82.582   8.9009 -2.864899 12.55919 
1 1 1  -19   11   29 o   82.537   6.5064   46.908   7.1752   54.894   10.031   38.538   10.268   89.852   8.2378   75.221   10.073 14.63106 13.01272 
1 1 1  -19   11   30 o  158.026   6.5121  171.144   13.627  164.136   21.468  175.872   17.634  155.218   10.206  160.834   8.0909 -5.616074 13.02429 
1 1 1  -19   11   31 o  217.981   6.5646  326.069   19.190  301.528   28.623  346.106   25.863  210.385   10.039  225.577   8.4607 -15.19189 13.12917 
1 1 1  -19   11   32 o  236.212   4.7547  379.207   15.209  372.274   21.803  385.776   21.225  234.095   6.8731  238.329   6.5717 -4.233887 9.509300 
1 1 1  -19   11   33 o  173.562   4.7026  205.353   11.018  193.407   15.993  216.143   15.200  168.718   6.9950  178.407   6.2869 -9.688324 9.405107 
1 1 1  -19   11   34 o  189.062   4.6670  241.644   11.920  257.214   17.731  228.804   16.101  194.583   6.7241  183.540   6.4736 11.04295 9.333913 
1 1 1  -19   11   35 o   98.195   5.4923   65.448   7.2468   66.467   11.025   64.673   9.6162   98.846   8.2306   97.545   7.2747 1.300346 10.98467 
1 1 1  -19   11   36 o  147.959   6.3342  153.619   11.828  162.761   14.567  135.925   20.266  154.762   6.9458  141.156   10.595 13.60594 12.66847 
1 1 1  -19   11   37 o  281.419   6.1904  526.620   22.093  504.956   26.620  574.561   39.600  272.552   7.2075  290.286   10.067 -17.73431 12.38077 
1 1 1  -19   11   38 o  334.294   5.2958  759.451   23.978  773.087   34.599  746.849   33.260  337.166   7.5724  331.422   7.4056 5.744629 10.59170 
1 1 1  -19   11   39 o  144.529   4.9354  142.523   9.6080  136.461   14.217  147.620   13.036  141.661   7.4056  147.398   6.5262 -5.737091 9.870871 
1 1 1  -19   11   40 o  180.103   4.7581  220.871   11.579  214.180   16.882  226.813   15.911  177.499   7.0186  182.707   6.4263 -5.208282 9.516215 
1 1 1  -19   11   41 o  112.802   5.3573   85.612   8.1311   94.423   12.437   79.034   10.746  117.803   7.7907  107.801   7.3558 10.00195 10.71460 
1 1 1  -19   11   42 o   83.835   7.6136   46.935   7.8354   50.570   14.841   45.530   9.2260   85.897   12.750   81.773   8.3257 4.124794 15.22729 
1 1 1  -19   11   43 f   57.057   9.8886   19.740   7.0162   33.299   13.640   14.861   8.1817   68.236   15.146   45.879   12.718 22.35699 19.77729 
1 1 1  -19   11   44 f  280.834   5.0520  536.454   19.207  535.733   27.788  537.112   26.577  280.629   7.3071  281.039   6.9784 -0.4102173 10.10405 
1 1 1  -19   11   45 f  171.728   4.8931  200.060   11.350  206.391   16.848  194.800   15.357  174.189   7.1376  169.267   6.6952 4.922424 9.786259 
1 1 1  -19   11   46 o  122.623   5.4537  101.283   8.9395  108.696   14.030   96.217   11.599  126.323   8.1958  118.922   7.1972 7.400948 10.90739 
1 1 1  -19   11   47 o  115.904   7.1760   95.977   9.9801   82.483   18.479  101.534   11.858  109.648   12.437  122.160   7.1632 -12.51167 14.35201 
1 1 1  -19   11   48 o  124.290   5.4743  104.528   9.1564  110.622   13.939   99.903   12.144  127.430   8.0722  121.151   7.3968 6.278984 10.94867 
1 1 1  -19   11   49 o  161.872   5.0293  178.406   10.998  177.004   16.165  179.614   15.008  161.251   7.3975  162.493   6.8155 -1.241653 10.05857 
1 1 1  -19   11   50 o  179.206   4.9453  218.324   11.984  221.676   17.587  215.420   16.374  180.466   7.1914  177.945   6.7903 2.520828 9.890627 
1 1 1  -19   11   51 o  157.432   5.0777  169.803   10.763  154.077   15.618  184.024   14.852  150.395   7.6633  164.469   6.6639 -14.07401 10.15546 
1 1 1  -19   11   52 o   98.062   7.8257   65.417   9.8879   64.337   12.177   67.508   16.942   97.051   9.2588   99.072   12.619 -2.021461 15.65145 
1 1 1  -19   11   53 o  130.922   6.7555  114.343   11.364  108.647   13.852  126.071   19.877  126.220   8.0982  135.624   10.815 -9.402969 13.51096 
1 1 1  -19   11   54 o   95.486   6.0770   61.554   7.8135   68.619   11.896   56.195   10.362  100.237   8.7581   90.736   8.4270 9.501213 12.15394 
1 1 1  -19   11   55 o   99.873   7.1695   70.058   9.4544   80.536   12.719   57.119   14.134  108.581   8.6440   91.165   11.441 17.41538 14.33897 
1 1 1  -19   11   56 o  109.306   8.1339   77.222   11.674  109.303   19.373   58.933   14.627  126.076   11.339   92.536   11.665 33.53998 16.26777 
1 1 1  -19   11   57 o  163.915   5.2696  184.854   11.604  163.893   16.851  203.757   16.003  154.913   8.0271  172.916   6.8293 -18.00365 10.53916 
1 1 1  -19   11   58 o  252.734   6.0187  433.125   19.904  422.668   24.942  451.459   33.026  248.864   7.3958  256.604   9.4975 -7.740036 12.03744 
1 1 1  -19   11   59 o   78.797   8.2190   42.229   8.7096   36.931   11.531   49.268   13.291   73.128   11.635   84.467   11.611 -11.33898 16.43792 
1 1 1  -19   11   60 o   82.995   6.9756   46.404   7.7634   56.283   11.964   39.218   10.203   90.484   9.7569   75.506   9.9719 14.97779 13.95116 
1 1 1  -19   11   61 o  127.065   6.8452  104.918   10.729  126.220   20.608   96.997   12.567  135.078   11.258  119.052   7.7893 16.02589 13.69031 
1 1 1  -19   11   62 o  211.521   6.2399  311.434   16.455  296.708   29.408  318.146   19.854  207.240   10.472  215.802   6.7889 -8.561890 12.47972 
1 1 1  -19   11   63 o   46.359   9.6110   15.659   6.5960   10.586   10.237   19.259   8.6249   41.172   14.619   51.546   12.481 -10.37439 19.22209 
1 1 1  -19   11   64 o   72.517   7.4811   35.806   7.2742   41.184   11.338   32.043   9.4833   77.016   10.863   68.018   10.289 8.997833 14.96227 
1 1 1  -19   11   65 f   96.645   7.8751   63.156   9.1871   69.389   17.918   60.933   10.701   99.210   13.327   94.079   8.3934 5.131264 15.75015 
1 1 1  -19   11   66 o  107.908   7.5453   82.478   9.7315   78.101   18.563   84.137   11.428  105.175   13.024  110.641   7.6218 -5.465591 15.09063 
1 1 1  -19   11   67 o   59.821   9.3165   21.312   8.2219   5.4758   10.272   49.550   13.716   35.757   14.198   83.885   12.066 -48.12814 18.63297 
1 1 1  -19   11   68 o   93.667   6.2952   61.103   7.9238   58.418   11.839   63.282   10.665   91.638   9.5335   95.696   8.2238 -4.057678 12.59045 
1 1 1  -19   11   69 o   69.665   7.9028   35.567   7.0490   29.636   10.744   40.049   9.3401   63.444   12.936   75.886   9.0825 -12.44234 15.80569 
1 1 1  -19   11   70 o   90.942   6.5208   59.678   7.7357   44.519   11.446   72.426   10.496   79.512   10.623  102.373   7.5656 -22.86170 13.04150 
1 1 1  -19   11   71 o   60.423   8.3760   25.682   6.6752   33.928   10.386   19.879   8.7130   69.173   11.080   51.672   12.565 17.50144 16.75209 
1 1 1  -19   11   72 o   40.495   9.6179   11.415   6.1870   12.723   9.4275   10.426   8.2000   42.231   14.067   38.759   13.120 3.472321 19.23577 
1 1 1  -19   11   73 o   67.512   7.4747   32.159   6.7982   34.839   10.314   30.100   9.0400   69.881   10.891   65.144   10.240 4.736229 14.94931 
1 1 1  -19   11   74 o  134.243   6.9132  135.831   11.328  106.207   19.616  150.653   13.875  121.084   11.955  147.402   6.9464 -26.31811 13.82642 
1 1 1  -19   11   75 o   49.693   10.422   18.936   7.1796   18.755   13.037   19.015   8.6015   49.399   16.544   49.986   12.679 -0.5869751 20.84333 
1 1 1  -19   11   76 o   75.203   9.8577   42.870   9.5944   47.906   14.790   39.212   12.607   78.773   14.385   71.634   13.482 7.139114 19.71531 
1 1 1  -19   11   77 o   31.880   9.4972   1.8933   7.3224  -5.6563   11.593   6.9041   9.4448   28.636   13.140   35.124   13.716 -6.488380 18.99449 
1 1 1  -19   11   78 o   73.943   9.7414   39.567   9.5836   76.195   15.313   15.980   12.288  102.146   11.062   45.740   16.038 56.40693 19.48286 
1 1 1  -19   11   79 o  102.561   11.905   78.037   16.546   78.037   16.546   0.0000   0.0000  102.561   11.905  ?   ?       ?      ? 
1 1 1  -19   11   80 o   56.784   16.366   26.881   13.283   26.881   13.283   0.0000   0.0000   56.784   16.366  ?   ?       ?      ? 
1 1 1  -19   11   81 o   42.300   15.821   13.030   12.216   13.030   12.216   0.0000   0.0000   42.300   15.821  ?   ?       ?      ? 
1 1 1  -19   12    1 o  275.332   5.7309  516.143   20.608  512.620   33.964  518.196   25.926  274.461   9.1318  276.203   6.9268 -1.742310 11.46170 
1 1 1  -19   12    2 o   67.331   8.0830   34.899   6.6172   20.465   10.459   44.531   8.5446   53.720   14.165   80.943   7.7899 -27.22210 16.16594 
1 1 1  -19   12    3 o  116.539   6.1878   99.558   9.0239   68.071   14.309  120.349   11.628   99.946   10.565  133.132   6.4450 -33.18597 12.37566 
1 1 1  -19   12    4 o  163.429   8.7101  181.670   19.290  181.670   19.290   0.0000   0.0000  163.429   8.7101  ?   ?       ?      ? 
1 1 1  -19   12    5 f  255.568   10.489  445.017   36.326   0.0000   0.0000  445.017   36.326  ?   ?   255.568   10.489      ?      ? 
1 1 1  -19   12    6 o  222.725   6.8852  327.425   20.400  286.268   25.992  393.449   32.921  205.095   9.3521  240.355   10.107 -35.25954 13.77038 
1 1 1  -19   12    7 o  198.479   5.3870  266.836   13.974  270.952   23.121  264.467   17.540  199.606   8.5477  197.352   6.5587 2.254578 10.77403 
1 1 1  -19   12    8 o  152.183   5.2552  158.748   10.541  163.721   13.546  151.113   16.785  155.284   6.4372  149.082   8.3085 6.202072 10.51041 
1 1 1  -19   12    9 o  217.636   5.3324  321.956   15.174  322.261   19.104  321.434   24.976  217.858   6.4710  217.415   8.4771 0.4425201 10.66472 
1 1 1  -19   12   10 o  214.786   5.3704  316.524   15.114  326.042   19.235  301.168   24.433  219.132   6.4775  210.441   8.5677 8.689957 10.74076 
1 1 1  -19   12   11 o  153.008   6.4266  161.106   13.061  149.158   20.169  169.735   17.141  147.996   10.057  158.020   8.0045 -10.02483 12.85323 
1 1 1  -19   12   12 o  197.373   5.2827  263.874   13.742  261.212   17.465  268.201   22.267  196.133   6.5711  198.613   8.2733 -2.480743 10.56535 
1 1 1  -19   12   13 o  238.241   5.4598  386.260   17.025  387.783   21.482  383.688   27.917  238.966   6.6338  237.515   8.6736 1.451279 10.91961 
1 1 1  -19   12   14 o  252.120   5.5675  434.973   18.366  443.701   23.264  420.533   29.924  255.607   6.7163  248.633   8.8813 6.974731 11.13490 
1 1 1  -19   12   15 o  160.347   5.1731  170.631   11.009  156.111   13.982  194.313   17.856  151.610   6.8055  169.085   7.7929 -17.47408 10.34623 
1 1 1  -19   12   16 o  121.526   5.3517   98.922   8.7066   91.741   11.309  109.370   13.642  116.207   7.1816  126.845   7.9364 -10.63795 10.70334 
1 1 1  -19   12   17 o   75.938   8.9262   39.234   9.1856   39.234   9.1856   0.0000   0.0000   75.938   8.9262  ?   ?       ?      ? 
1 1 1  -19   12   18 o  287.698   7.0111  562.259   27.334  562.259   27.334   0.0000   0.0000  287.698   7.0111  ?   ?       ?      ? 
1 1 1  -19   12   19 o  284.878   5.7731  546.527   21.414  533.270   26.649  570.688   35.977  280.179   7.0188  289.578   9.1680 -9.398895 11.54626 
1 1 1  -19   12   20 o  206.407   5.4894  296.865   14.866  325.661   19.372  255.615   23.186  218.985   6.5280  193.829   8.8271 25.15611 10.97876 
1 1 1  -19   12   21 o  172.580   5.2826  202.201   12.091  201.388   15.560  203.440   19.209  172.195   6.6682  172.965   8.1951 -0.7696228 10.56526 
1 1 1  -19   12   22 o  208.385   5.0312  290.110   13.135  282.438   15.710  307.933   23.944  203.987   5.6830  212.783   8.3039 -8.795593 10.06233 
1 1 1  -19   12   23 o  241.936   5.4411  418.770   16.279  455.922   19.906  343.743   28.288  259.169   5.6677  224.702   9.2898 34.46730 10.88226 
1 1 1  -19   12   24 o  193.531   4.9345  245.111   12.035  230.382   14.365  279.779   22.039  184.224   5.7543  202.838   8.0179 -18.61472 9.869030 
1 1 1  -19   12   25 o  124.223   5.1816  104.407   8.3085  103.348   10.264  106.419   14.151  123.370   6.1393  125.076   8.3488 -1.705673 10.36313 
1 1 1  -19   12   26 o  137.947   5.1862  132.351   9.1430  139.140   11.363  119.885   15.398  143.159   5.8572  132.736   8.5605 10.42322 10.37250 
1 1 1  -19   12   27 o   80.265   6.4814   45.062   6.8106   49.667   8.8628   38.421   10.643   85.469   7.6520   75.061   10.463 10.40851 12.96286 
1 1 1  -19   12   28 o  347.592   6.4671  821.632   29.544  818.205   37.434  827.293   48.108  346.842   7.9644  348.343   10.191 -1.500977 12.93416 
1 1 1  -19   12   29 f  295.757   6.0484  590.714   23.602  575.747   29.947  615.256   38.347  290.989   7.5943  300.525   9.4159 -9.535889 12.09685 
1 1 1  -19   12   30 o  107.192   6.2114   85.020   8.2498  103.104   10.563   56.733   13.210  123.203   6.3266   91.181   10.691 32.02213 12.42288 
1 1 1  -19   12   31 o  175.721   5.3888  219.382   11.896  238.681   14.724  183.094   20.190  187.487   5.7951  163.956   9.0870 23.53101 10.77760 
1 1 1  -19   12   32 o  372.064   6.2286  931.055   27.999  917.327   32.742  968.411   54.009  367.434   6.5756  376.694   10.580 -9.259277 12.45719 
1 1 1  -19   12   33 o  264.729   5.3923  466.487   17.597  452.804   20.779  501.191   33.091  258.210   5.9383  271.248   9.0025 -13.03781 10.78459 
1 1 1  -19   12   34 o  138.999   6.1785  131.247   11.638  131.247   11.638   0.0000   0.0000  138.999   6.1785  ?   ?       ?      ? 
1 1 1  -19   12   35 o   97.679   7.2553   63.386   9.2108   59.367   11.349   71.142   15.766   93.347   8.9719  102.012   11.405 -8.665497 14.51060 
1 1 1  -19   12   36 f  214.597   9.5366  314.027   27.733  314.027   27.733   0.0000   0.0000  214.597   9.5366  ?   ?       ?      ? 
1 1 1  -19   12   37 o  136.110   6.0911  126.776   10.263  124.758   18.755  127.638   12.262  135.184   10.238  137.036   6.6031 -1.851471 12.18230 
1 1 1  -19   12   38 o  125.097   6.3187  108.172   9.7138  103.011   17.817  110.355   11.587  122.784   10.708  127.410   6.7112 -4.625214 12.63746 
1 1 1  -19   12   39 o  174.240   4.8081  206.084   11.303  209.948   16.858  202.927   15.235  175.697   7.0805  172.784   6.5068 2.912537 9.616222 
1 1 1  -19   12   40 o  161.455   4.8787  177.790   10.613  171.997   15.733  182.627   14.376  158.999   7.3020  163.911   6.4720 -4.911850 9.757347 
1 1 1  -19   12   41 o   53.372   8.2964   22.247   6.2135   7.6571   9.7626   32.181   8.0557   38.030   14.159   68.714   8.6512 -30.68480 16.59277 
1 1 1  -19   12   42 f   39.805   9.6329   10.072   6.1477   8.5851   10.206   10.919   7.7017   39.464   14.517   40.146   12.665 -0.6823959 19.26571 
1 1 1  -19   12   43 o  131.919   7.0657  118.400   12.631   0.0000   0.0000  118.400   12.631  ?   ?   131.919   7.0657      ?      ? 
1 1 1  -19   12   44 f  219.686   4.9612  328.326   14.724  328.871   21.698  327.860   20.047  219.820   7.2839  219.552   6.7378 0.2676849 9.922364 
1 1 1  -19   12   45 o  168.054   6.2083  192.635   12.844  192.633   23.785  192.636   15.261  167.820   10.459  168.288   6.6918 -0.4682007 12.41650 
1 1 1  -19   12   46 o  129.247   5.3702  115.069   9.2890  102.782   13.782  125.297   12.574  122.790   8.2827  135.704   6.8375 -12.91421 10.74038 
1 1 1  -19   12   47 o  149.500   5.1498  150.161   10.364  173.497   15.727  132.251   13.778  159.632   7.2703  139.368   7.2954 20.26331 10.29950 
1 1 1  -19   12   48 o  239.048   5.0028  389.788   16.173  372.229   23.269  406.199   22.495  233.785   7.3447  244.310   6.7947 -10.52487 10.00561 
1 1 1  -19   12   49 o  128.928   5.3622  113.058   9.3137  115.181   14.004  111.373   12.472  129.975   7.9510  127.881   7.1968 2.094597 10.72435 
1 1 1  -19   12   50 o  128.514   7.1127  114.709   11.525  117.730   14.050  108.493   20.151  131.394   7.8909  125.633   11.836 5.761009 14.22538 
1 1 1  -19   12   51 o  135.058   11.308  125.305   20.696  125.305   20.696   0.0000   0.0000  135.058   11.308  ?   ?       ?      ? 
1 1 1  -19   12   52 f  168.938   6.5335  203.571   13.560  174.653   24.134  216.912   16.393  159.420   11.171  178.456   6.7785 -19.03589 13.06703 
1 1 1  -19   12   53 o  180.169   7.4074  221.399   18.085  221.399   18.085   0.0000   0.0000  180.169   7.4074  ?   ?       ?      ? 
1 1 1  -19   12   54 o  118.272   5.7663   95.800   9.2084   92.751   13.483   98.467   12.606  116.455   8.5437  120.089   7.7465 -3.633881 11.53265 
1 1 1  -19   12   55 o  121.781   6.4229  100.010   10.486   91.193   13.667  112.629   16.351  115.410   8.7387  128.152   9.4154 -12.74195 12.84582 
1 1 1  -19   12   56 o  162.731   5.9743  180.612   12.912  177.845   16.624  184.819   20.500  161.327   7.6043  164.136   9.2166 -2.808670 11.94870 
1 1 1  -19   12   57 o  146.652   5.3147  149.157   10.406  127.148   15.258  168.297   14.229  136.255   8.2635  157.049   6.6858 -20.79453 10.62940 
1 1 1  -19   12   58 o  139.446   5.3469  131.818   10.030  142.783   15.340  123.631   13.256  144.415   7.8385  134.477   7.2742 9.937851 10.69372 
1 1 1  -19   12   59 o  238.055   5.0928  388.036   16.368  382.422   24.115  392.831   22.288  236.353   7.5290  239.757   6.8600 -3.403549 10.18557 
1 1 1  -19   12   60 o  141.873   6.8306  143.466   11.770  128.117   21.571  149.972   14.044  135.683   11.732  148.063   6.9996 -12.37984 13.66121 
1 1 1  -19   12   61 o  108.302   6.0484   82.034   8.6978   72.452   13.206   89.375   11.559  102.427   9.5141  114.176   7.4708 -11.74828 12.09675 
1 1 1  -19   12   62 o  165.232   5.2956  190.135   11.671  165.524   17.345  210.497   15.776  155.091   8.2527  175.373   6.6383 -20.28159 10.59123 
1 1 1  -19   12   63 o  140.924   6.6374  132.405   11.517  149.915   21.907  125.717   13.539  146.548   11.031  135.301   7.3844 11.24715 13.27477 
1 1 1  -19   12   64 o  137.209   5.4086  130.932   9.9385  117.528   14.721  142.160   13.473  130.492   8.3245  143.927   6.9076 -13.43524 10.81721 
1 1 1  -19   12   65 o   46.151   10.856   13.780   7.9383   9.2406   10.185   20.807   12.671   39.280   14.494   53.022   16.167 -13.74242 21.71289 
1 1 1  -19   12   66 o  103.249   5.8400   73.602   8.1001   75.218   12.347   72.381   10.733  104.107   8.7515  102.391   7.7351 1.716660 11.67990 
1 1 1  -19   12   67 o   44.568   9.4726   14.748   6.2700   11.114   9.8136   17.255   8.1505   40.830   14.332   48.306   12.391 -7.475887 18.94525 
1 1 1  -19   12   68 o   60.910   8.1451   26.940   6.4761   25.975   10.013   27.634   8.4910   59.110   12.866   62.710   9.9917 -3.599838 16.29013 
1 1 1  -19   12   69 o   45.464   9.3346   15.498   6.0981   13.599   9.3812   16.889   8.0248   43.320   14.012   47.609   12.338 -4.289116 18.66929 
1 1 1  -19   12   70 o   40.996   9.4339   12.192   6.0126   10.376   9.4240   13.439   7.8083   39.381   14.022   42.611   12.624 -3.229912 18.86771 
1 1 1  -19   12   71 o   33.466   8.8844   6.2091   5.7173   1.1722   8.8622   9.7998   7.4826   29.579   12.596   37.353   12.533 -7.774334 17.76884 
1 1 1  -19   12   72 o   64.999   8.0037   32.274   6.6103   23.278   9.9287   39.437   8.8593   55.143   13.415   74.855   8.7336 -19.71270 16.00739 
1 1 1  -19   12   73 o  104.162   7.3633   80.193   9.2811   72.061   17.007   83.642   11.076   98.872   12.693  109.453   7.4673 -10.58101 14.72670 
1 1 1  -19   12   74 o  142.200   7.1828  144.329   13.730  152.433   20.989  138.268   18.152  145.257   10.663  139.144   9.6267 6.112244 14.36552 
1 1 1  -19   12   75 o   92.630   8.3903   60.406   10.296   80.318   16.661   48.105   13.095  104.497   11.765   80.762   11.965 23.73536 16.78066 
1 1 1  -19   12   76 o   98.665   8.1343   73.371   10.530   60.799   15.977   83.028   14.002   89.820   13.126  107.510   9.6108 -17.68984 16.26851 
1 1 1  -19   12   77 o   44.637   16.193   15.036   12.634   15.036   12.634   0.0000   0.0000   44.637   16.193  ?   ?       ?      ? 
1 1 1  -19   12   78 o   69.317   15.434   39.118   14.125   39.118   14.125   0.0000   0.0000   69.317   15.434  ?   ?       ?      ? 
1 1 1  -19   12   79 o   58.755   16.261   29.027   13.386   29.027   13.386   0.0000   0.0000   58.755   16.261  ?   ?       ?      ? 
1 1 1  -19   13    1 o  158.618   4.7162  170.552   10.121  157.813   13.975  184.606   14.678  152.396   6.7670  164.839   6.5709 -12.44322 9.432367 
1 1 1  -19   13    2 o  170.415   4.6382  197.120   10.706  189.534   14.898  205.223   15.396  167.026   6.5819  173.805   6.5369 -6.778748 9.276462 
1 1 1  -19   13    3 o  181.131   4.6663  222.873   11.453  221.327   16.059  224.473   16.337  180.495   6.5656  181.768   6.6325 -1.273361 9.332541 
1 1 1  -19   13    4 o  173.921   4.6386  205.477   10.929  212.992   15.544  198.129   15.369  177.071   6.4779  170.770   6.6412 6.301102 9.277291 
1 1 1  -19   13    5 o  125.622   4.9022  107.084   8.3144  120.355   12.012   94.878   11.520  133.097   6.6599  118.146   7.1953 14.95067 9.804412 
1 1 1  -19   13    6 f  218.024   4.7049  322.882   13.898  331.761   19.794  314.249   19.519  220.984   6.6100  215.065   6.6972 5.919083 9.409837 
1 1 1  -19   13    7 o  255.452   4.8378  443.417   16.746  444.906   23.613  441.911   23.754  255.887   6.8095  255.017   6.8736 0.8694305 9.675525 
1 1 1  -19   13    8 o  188.820   5.4428  239.961   13.693  229.627   17.644  255.606   21.710  183.813   7.0835  193.826   8.2656 -10.01329 10.88554 
1 1 1  -19   13    9 o  123.236   5.7369  102.679   9.5323   97.404   12.736  109.397   14.374  119.675   7.8531  126.797   8.3652 -7.122322 11.47377 
1 1 1  -19   13   10 o  123.617   5.8690  104.883   9.7240  111.723   13.101   96.493   14.510  128.189   7.5420  119.045   8.9943 9.143707 11.73791 
1 1 1  -19   13   11 f  196.656   7.0385  262.826   18.757  262.826   18.757   0.0000   0.0000  196.656   7.0385  ?   ?       ?      ? 
1 1 1  -19   13   12 o  246.561   5.8759  423.727   19.078  469.431   25.110  361.310   29.344  262.818   7.0502  230.305   9.4022 32.51382 11.75187 
1 1 1  -19   13   13 o  214.976   5.0932  311.550   13.584  307.797   16.178  320.520   25.011  212.932   5.6066  217.019   8.5045 -4.086929 10.18631 
1 1 1  -19   13   14 o  132.615   5.2979  121.634   8.8808  125.564   10.863  113.716   15.420  135.986   5.8950  129.243   8.8045 6.743011 10.59577 
1 1 1  -19   13   15 f  184.664   5.5951  231.501   14.002  231.501   14.002   0.0000   0.0000  184.664   5.5951  ?   ?       ?      ? 
1 1 1  -19   13   16 o  186.151   4.9916  231.275   11.646  224.673   13.927  246.625   21.236  181.916   5.6494  190.387   8.2310 -8.470245 9.983221 
1 1 1  -19   13   17 o  165.084   5.1325  187.315   10.656  190.927   12.930  179.672   18.811  167.695   5.6899  162.473   8.5436 5.222214 10.26492 
1 1 1  -19   13   18 o  163.384   5.1595  183.131   10.667  186.217   13.006  176.786   18.646  165.607   5.7953  161.161   8.5378 4.445816 10.31890 
1 1 1  -19   13   19 o  393.846   6.5219  1087.40   31.275  1130.41   37.279  985.190   57.466  407.868   6.7447  379.824   11.165 28.04352 13.04383 
1 1 1  -19   13   20 o  339.826   5.9312  776.850   24.431  765.810   28.629  806.433   46.864  335.767   6.2919  343.886   10.056 -8.119110 11.86245 
1 1 1  -19   13   21 o  227.409   5.1168  337.770   14.422  319.057   17.005  385.727   27.223  216.766   5.7890  238.052   8.4388 -21.28606 10.23358 
1 1 1  -19   13   22 o  140.900   5.4707  141.961   9.7158  157.652   12.151  114.143   16.179  152.365   5.8848  129.435   9.2240 22.93015 10.94133 
1 1 1  -19   13   23 o  134.407   5.2048  120.923   9.0579  116.590   11.166  129.260   15.490  131.006   6.2895  137.808   8.2946 -6.802643 10.40959 
1 1 1  -19   13   24 o  248.364   5.4477  432.674   16.763  454.099   20.277  386.423   29.792  258.592   5.7864  238.137   9.2319 20.45547 10.89538 
1 1 1  -19   13   25 o  277.991   5.6115  536.924   19.322  554.372   23.254  498.014   34.726  285.691   6.0064  270.291   9.4806 15.39963 11.22310 
1 1 1  -19   13   26 o  269.820   7.1427  501.609   25.812  456.765   38.473  538.319   34.809  258.576   10.979  281.065   9.1390 -22.48938 14.28536 
1 1 1  -19   13   27 o  262.061   5.9675  477.639   20.629  522.673   27.098  415.570   31.813  277.240   7.2127  246.881   9.5090 30.35924 11.93504 
1 1 1  -19   13   28 o  283.843   5.9865  549.289   22.333  551.306   28.356  545.994   36.245  284.706   7.3496  282.980   9.4517 1.725037 11.97293 
1 1 1  -19   13   29 o  252.428   5.7592  428.305   19.155  411.390   24.179  456.816   31.391  245.943   7.2548  258.914   8.9467 -12.97049 11.51848 
1 1 1  -19   13   30 o  183.424   5.5787  227.451   13.661  220.397   17.727  237.767   21.436  180.009   7.2670  186.840   8.4664 -6.831055 11.15745 
1 1 1  -19   13   31 o  159.918   5.1316  167.105   10.591  153.077   12.894  196.186   18.566  150.084   6.3398  169.752   8.0709 -19.66763 10.26320 
1 1 1  -19   13   32 o  198.494   5.8935  267.657   15.853  267.657   15.853   0.0000   0.0000  198.494   5.8935  ?   ?       ?      ? 
1 1 1  -19   13   33 o  222.416   5.8910  336.073   17.756  336.073   17.756   0.0000   0.0000  222.416   5.8910  ?   ?       ?      ? 
1 1 1  -19   13   34 o  175.425   5.1751  203.345   11.566  192.547   13.963  226.947   20.643  168.329   6.1213  182.521   8.3461 -14.19148 10.35027 
1 1 1  -19   13   35 o  147.991   5.3460  147.251   10.250  143.062   12.665  155.206   17.451  145.068   6.4423  150.913   8.5331 -5.845276 10.69192 
1 1 1  -19   13   36 o  159.467   5.2659  166.160   10.879  151.212   13.296  196.439   18.923  149.128   6.5794  169.807   8.2236 -20.67879 10.53172 
1 1 1  -19   13   37 o  182.984   5.6353  240.628   12.983  269.778   16.284  189.754   21.512  199.240   6.0310  166.727   9.5211 32.51389 11.27053 
1 1 1  -19   13   38 o  156.914   5.4164  162.697   11.045  151.305   13.590  184.857   18.954  149.152   6.7239  164.676   8.4936 -15.52460 10.83286 
1 1 1  -19   13   39 o  182.172   4.8938  225.558   12.042  228.534   17.808  223.051   16.347  183.250   7.1712  181.093   6.6611 2.157150 9.787533 
1 1 1  -19   13   40 o  228.887   4.9018  357.328   15.161  342.203   21.994  371.019   20.926  224.218   7.2386  233.556   6.6117 -9.338104 9.803664 
1 1 1  -19   13   41 o  111.955   5.5858   84.268   8.3884   93.189   13.031   77.956   10.962  116.921   8.2244  106.988   7.5606 9.932610 11.17154 
1 1 1  -19   13   42 o  127.681   6.6336  110.258   10.304  113.866   19.613  108.883   12.110  128.887   11.229  126.475   7.0658 2.411598 13.26719 
1 1 1  -19   13   43 o  229.083   6.4325  380.285   18.162  301.237   31.344  420.242   22.284  209.641   11.033  248.525   6.6168 -38.88428 12.86499 
1 1 1  -19   13   44 o  164.719   4.9887  183.839   11.073  192.906   16.720  176.755   14.779  168.287   7.3315  161.151   6.7674 7.136047 9.977387 
1 1 1  -19   13   45 o  174.251   5.0027  207.484   11.749  199.197   17.342  214.514   15.974  170.972   7.4849  177.531   6.6397 -6.559113 10.00545 
1 1 1  -19   13   46 o  215.405   5.9490  322.143   16.961  347.339   22.296  287.530   26.132  225.775   7.2872  205.035   9.4052 20.73985 11.89794 
1 1 1  -19   13   47 o  193.316   6.2143  251.611   14.889  264.786   27.592  246.199   17.685  196.512   10.361  190.121   6.8641 6.391205 12.42852 
1 1 1  -19   13   48 o  180.860   6.3555  224.061   14.815  224.821   18.338  222.633   25.137  181.567   7.4532  180.154   10.297 1.412781 12.71097 
1 1 1  -19   13   49 o  132.793   6.9105  124.132   11.685  131.353   14.511  110.811   19.709  138.725   7.7189  126.861   11.465 11.86455 13.82097 
1 1 1  -19   13   50 o   63.808   9.3373   29.567   7.9946   41.658   11.281   17.369   11.332   77.831   10.696   49.784   15.308 28.04731 18.67461 
1 1 1  -19   13   51 o  175.371   5.9394  212.769   13.814  223.309   18.057  197.893   21.451  180.863   7.3672  169.880   9.3182 10.98308 11.87876 
1 1 1  -19   13   52 o  258.897   5.9876  450.417   20.348  426.401   25.468  492.802   33.834  249.819   7.5230  267.975   9.3171 -18.15559 11.97513 
1 1 1  -19   13   53 o  206.562   5.0086  288.418   13.942  320.789   21.118  263.410   18.562  216.706   7.1912  196.419   6.9736 20.28772 10.01719 
1 1 1  -19   13   54 o   52.975   9.4598   19.343   6.7219   26.056   10.828   15.134   8.5741   59.948   13.637   46.001   13.115 13.94651 18.91962 
1 1 1  -19   13   55 o  109.848   5.7263   81.679   8.4142   89.068   13.201   76.623   10.920  113.905   8.5523  105.791   7.6171 8.114571 11.45261 
1 1 1  -19   13   56 o   40.303   9.5271   10.882   6.3636   5.0220   10.273   14.531   8.1061   35.615   14.181   44.991   12.726 -9.375656 19.05415 
1 1 1  -19   13   57 o   66.516   8.2918   29.827   7.1651   39.371   11.717   24.126   9.0556   75.205   11.497   57.826   11.951 17.37945 16.58359 
1 1 1  -19   13   58 o  114.531   6.9588   89.106   9.7443   94.766   18.492   86.930   11.465  116.499   11.714  112.563   7.5163 3.935455 13.91768 
1 1 1  -19   13   59 o   74.799   9.2462   36.802   8.0629   47.448   16.400   33.409   9.2592   80.179   15.655   69.418   9.8427 10.76116 18.49249 
1 1 1  -19   13   60 o   63.888   10.142   31.610   7.7678   24.840   15.524   33.872   8.9716   57.876   17.938   69.900   9.4714 -12.02425 20.28497 
1 1 1  -19   13   61 o   92.295   6.2910   57.690   7.7715   67.728   12.214   50.861   10.074   98.843   9.1186   85.748   8.6694 13.09485 12.58201 
1 1 1  -19   13   62 o   38.476   9.1280   9.6211   6.1708   1.3363   9.7228   15.209   7.9852   31.380   13.270   45.573   12.537 -14.19311 18.25603 
1 1 1  -19   13   63 o   93.270   7.6081   61.015   9.2937   60.610   11.725   61.698   15.244   93.289   9.2744   93.252   12.063 0.3699493E-01 15.21628 
1 1 1  -19   13   64 o   25.680   8.1561  -3.0351   5.8274  -5.0484   9.3458  -1.7545   7.4538   26.179   11.931   25.180   11.124 0.9990749 16.31227 
1 1 1  -19   13   65 o   91.546   6.3584   59.644   7.7197   48.302   11.286   69.617   10.582   82.869   10.050  100.223   7.7917 -17.35426 12.71673 
1 1 1  -19   13   66 o   48.474   9.2099   18.059   6.3285   12.716   9.7156   21.998   8.3407   42.373   14.281   54.574   11.633 -12.20072 18.41981 
1 1 1  -19   13   67 o  102.522   5.8726   73.924   8.0816   68.054   11.962   78.852   10.961   98.503   8.9616  106.542   7.5920 -8.038765 11.74515 
1 1 1  -19   13   68 o   55.016   8.5939   23.095   6.3537   17.096   9.6025   27.766   8.4738   47.472   13.983   62.559   9.9955 -15.08735 17.18783 
1 1 1  -19   13   69 o   56.360   8.6586   24.300   6.4978   19.038   9.9271   28.244   8.5948   49.755   14.086   62.965   10.073 -13.21030 17.31729 
1 1 1  -19   13   70 o   81.885   6.6511   48.121   7.2691   43.833   10.942   51.509   9.7257   78.200   10.325   85.571   8.3871 -7.370903 13.30226 
1 1 1  -19   13   71 o   45.241   11.168   14.089   8.4154   21.406   13.384   9.3049   10.822   51.792   16.734   38.690   14.795 13.10179 22.33694 
1 1 1  -19   13   72 o   87.957   9.8895   63.797   10.518   34.196   15.461   89.299   14.350   64.143   17.362  111.771   9.4743 -47.62798 19.77892 
1 1 1  -19   13   73 o   94.264   8.3667   65.576   10.612   66.170   15.980   65.108   14.193   94.179   12.521   94.350   11.101 -0.1719131 16.73346 
1 1 1  -19   13   74 o   50.823   9.0083   18.686   8.2574  -3.4218   12.164   37.580   11.245   30.367   13.750   71.279   11.642 -40.91255 18.01656 
1 1 1  -19   13   75 o   44.514   10.969   15.146   8.0546   17.145   12.344   13.664   10.630   46.533   16.088   42.495   14.915 4.038174 21.93818 
1 1 1  -19   13   76 o   30.753   13.654  -0.7993   11.369  -0.7993   11.369   0.0000   0.0000   30.753   13.654  ?   ?       ?      ? 
1 1 1  -19   14    1 o  321.424   5.2561  701.097   22.842  771.579   33.148  637.370   31.520  336.797   7.2629  306.051   7.5999 30.74609 10.51228 
1 1 1  -19   14    2 f  198.881   4.7859  268.745   12.891  264.438   17.879  273.408   18.604  197.230   6.6895  200.531   6.8461 -3.301697 9.571726 
1 1 1  -19   14    3 o  232.646   6.9449  368.022   21.895   0.0000   0.0000  368.022   21.895  ?   ?   232.646   6.9449      ?      ? 
1 1 1  -19   14    4 o  288.438   6.3610  560.187   23.169  585.888   41.468  548.522   27.936  292.896   10.448  283.981   7.2594 8.914520 12.72206 
1 1 1  -19   14    5 o  187.910   6.1457  242.611   14.479  235.088   25.766  246.083   17.504  185.564   10.246  190.257   6.7892 -4.692871 12.29138 
1 1 1  -19   14    6 o  156.400   4.8350  166.158   10.243  159.636   14.265  173.098   14.716  153.232   6.8699  159.567   6.8054 -6.335266 9.669979 
1 1 1  -19   14    7 o  173.855   4.7880  205.344   11.276  200.826   15.682  210.180   16.225  171.880   6.7330  175.831   6.8092 -3.950882 9.575905 
1 1 1  -19   14    8 o  214.176   5.1884  312.116   13.699  312.261   16.291  311.765   25.314  214.433   5.6062  213.919   8.7321 0.5143433 10.37687 
1 1 1  -19   14    9 o   85.158   6.0027   47.655   6.6649   43.485   8.2162   55.680   11.397   79.946   7.5839   90.370   9.3066 -10.42426 12.00536 
1 1 1  -19   14   10 o   75.810   6.4389   38.602   6.4061   36.989   8.0322   41.423   10.620   73.714   8.0408   77.906   10.059 -4.192291 12.87773 
1 1 1  -19   14   11 o  196.630   5.3818  270.898   12.872  281.777   15.336  244.955   23.682  203.702   5.5556  189.559   9.2191 14.14323 10.76367 
1 1 1  -19   14   12 o  178.885   5.6652  217.322   13.733  217.322   13.733   0.0000   0.0000  178.885   5.6652  ?   ?       ?      ? 
1 1 1  -19   14   13 o  156.357   5.2408  168.947   10.268  173.503   12.448  159.251   18.160  159.830   5.7473  152.884   8.7655 6.946350 10.48166 
1 1 1  -19   14   14 o  182.701   5.1351  222.854   11.764  216.321   14.071  238.021   21.440  178.460   5.8185  186.942   8.4631 -8.481979 10.27029 
1 1 1  -19   14   15 o  268.251   5.5323  493.964   18.195  499.824   21.619  479.735   33.687  271.260   5.8813  265.241   9.3721 6.019257 11.06458 
1 1 1  -19   14   16 o  220.346   5.8349  333.979   17.040  348.393   22.194  313.279   26.596  226.323   7.2363  214.369   9.1554 11.95354 11.66984 
1 1 1  -19   14   17 o  211.430   7.2973  304.078   20.908  304.078   20.908   0.0000   0.0000  211.430   7.2973  ?   ?       ?      ? 
1 1 1  -19   14   18 o  302.728   6.3530  637.200   25.238  683.188   32.623  568.654   39.829  316.861   7.5976  288.595   10.184 28.26599 12.70606 
1 1 1  -19   14   19 o  220.852   5.2587  329.758   14.422  326.667   17.200  337.078   26.467  219.298   5.7877  222.406   8.7817 -3.107147 10.51736 
1 1 1  -19   14   20 o  200.183   5.1514  265.750   12.888  255.505   15.345  290.283   23.745  193.941   5.8387  206.426   8.4886 -12.48499 10.30273 
1 1 1  -19   14   21 o  157.786   5.2004  166.216   10.472  160.306   12.709  178.714   18.481  153.599   6.1056  161.972   8.4200 -8.373795 10.40070 
1 1 1  -19   14   22 o  244.722   5.5532  424.162   16.825  452.127   20.444  365.476   29.616  257.981   5.8479  231.462   9.4421 26.51868 11.10638 
1 1 1  -19   14   23 o  174.193   5.7936  208.281   13.508  218.756   18.035  194.894   20.388  179.301   7.4223  169.084   8.8979 10.21742 11.58719 
1 1 1  -19   14   24 o  160.837   5.7776  175.737   12.488  172.783   16.563  179.629   19.011  159.324   7.6715  162.350   8.6411 -3.026260 11.55512 
1 1 1  -19   14   25 f  169.551   5.2369  192.996   11.277  188.273   13.655  203.127   19.997  166.453   6.0535  172.648   8.5472 -6.195206 10.47378 
1 1 1  -19   14   26 o   77.305   6.9605   39.337   7.1581   31.825   9.1944   50.896   11.405   68.266   9.9388   86.343   9.7475 -18.07671 13.92102 
1 1 1  -19   14   27 o   71.109   8.3537   40.049   8.0268   3.5869   11.343   76.624   11.360   36.143   14.720  106.075   7.9031 -69.93250 16.70736 
1 1 1  -19   14   28 o  123.216   6.3492  114.580   9.5276  145.572   12.325   68.554   15.020  146.345   6.2147  100.087   11.074 46.25813 12.69848 
1 1 1  -19   14   29 o  147.843   6.4446  148.609   12.912  148.609   12.912   0.0000   0.0000  147.843   6.4446  ?   ?       ?      ? 
1 1 1  -19   14   30 o  223.523   6.0053  339.554   18.190  339.554   18.190   0.0000   0.0000  223.523   6.0053  ?   ?       ?      ? 
1 1 1  -19   14   31 o  194.511   5.3239  259.758   13.046  263.603   15.836  251.637   23.013  196.947   5.9337  192.075   8.8412 4.871887 10.64780 
1 1 1  -19   14   32 f   86.242   6.5983   49.735   7.5904   45.286   9.7493   56.581   12.095   81.479   8.8296   91.004   9.8076 -9.524521 13.19665 
1 1 1  -19   14   33 o  171.275   5.4409  205.107   11.795  215.881   14.534  184.313   20.190  178.213   6.0180  164.337   9.0663 13.87610 10.88178 
1 1 1  -19   14   34 o  215.174   5.3040  307.852   14.301  296.414   17.068  334.796   26.197  208.817   6.0316  221.531   8.7263 -12.71434 10.60799 
1 1 1  -19   14   35 o  215.233   5.7231  335.808   15.264  375.317   18.878  261.220   25.938  234.976   5.9286  195.491   9.7911 39.48543 11.44617 
1 1 1  -19   14   36 o  216.366   5.3222  306.206   14.466  286.902   17.213  352.616   26.690  205.405   6.1839  227.326   8.6638 -21.92059 10.64438 
1 1 1  -19   14   37 o  227.351   5.3726  340.511   15.275  323.243   18.153  382.401   28.273  218.021   6.1442  236.680   8.8152 -18.65878 10.74521 
1 1 1  -19   14   38 o  233.218   5.6171  383.085   16.325  404.644   19.879  338.422   28.611  243.940   6.0134  222.496   9.4893 21.44405 11.23428 
1 1 1  -19   14   39 o  141.357   5.6531  137.770   10.288  141.267   12.792  131.366   17.311  144.076   6.5517  138.639   9.2144 5.437027 11.30615 
1 1 1  -19   14   40 o  101.356   6.8746   70.298   9.4386   70.076   13.155   70.533   13.550  101.205   9.5921  101.508   9.8504 -0.3032227 13.74917 
1 1 1  -19   14   41 o   67.926   10.493   34.909   9.2750   24.340   15.390   40.937   11.623   58.645   17.804   77.207   11.109 -18.56239 20.98513 
1 1 1  -19   14   42 o   66.003   10.544   33.418   9.1360   21.668   15.510   39.661   11.306   56.021   18.005   75.986   10.979 -19.96501 21.08883 
1 1 1  -19   14   43 o  118.462   5.4940   94.435   8.7298  104.971   13.570   86.994   11.403  123.987   8.0762  112.937   7.4507 11.05003 10.98805 
1 1 1  -19   14   44 o  138.196   5.2586  131.334   9.7422  121.893   14.569  138.970   13.102  133.586   8.0481  142.805   6.7705 -9.218597 10.51726 
1 1 1  -19   14   45 o   84.630   7.6057   49.353   8.6970   50.571   11.944   47.978   12.688   85.799   10.273   83.461   11.218 2.338379 15.21146 
1 1 1  -19   14   46 o  138.252   7.9538  130.645   14.901  130.645   14.901   0.0000   0.0000  138.252   7.9538  ?   ?       ?      ? 
1 1 1  -19   14   47 o  152.292   6.1612  160.684   12.443  168.719   16.266  149.347   19.320  157.128   7.6391  147.457   9.6687 9.671509 12.32231 
1 1 1  -19   14   48 o  159.327   5.1257  174.351   10.973  165.042   16.360  181.965   14.796  155.344   7.7713  163.311   6.6855 -7.967316 10.25133 
1 1 1  -19   14   49 o  120.825   5.5900  100.194   9.0287   98.290   13.888  101.588   11.882  119.721   8.5601  121.928   7.1915 -2.206551 11.18003 
1 1 1  -19   14   50 o  100.271   6.2575   71.279   8.2074   57.810   12.584   81.249   10.827   91.549   10.144  108.994   7.3303 -17.44451 12.51502 
1 1 1  -19   14   51 o   82.615   6.9149   47.687   7.5240   44.192   11.891   50.021   9.7164   79.868   10.987   85.363   8.3995 -5.494637 13.82978 
1 1 1  -19   14   52 o  110.198   5.9224   84.514   8.6758   76.886   13.271   90.208   11.465  105.628   9.2713  114.768   7.3718 -9.139999 11.84488 
1 1 1  -19   14   53 o   52.524   9.2950   18.379   6.6614   29.606   10.890   11.666   8.4206   63.901   13.018   41.146   13.271 22.75512 18.58999 
1 1 1  -19   14   54 o   77.391   7.0651   41.028   7.2622   43.821   11.627   39.242   9.2992   79.380   10.809   75.401   9.1009 3.979408 14.13012 
1 1 1  -19   14   55 o   70.981   9.4053   34.867   9.0468   0.0000   0.0000   34.867   9.0468  ?   ?    70.981   9.4053      ?      ? 
1 1 1  -19   14   56 o  125.172   7.0481  107.525   11.955   0.0000   0.0000  107.525   11.955  ?   ?   125.172   7.0481      ?      ? 
1 1 1  -19   14   57 o   70.537   7.9155   35.595   7.0971   34.418   11.583   36.302   8.9801   68.715   12.913   72.360   9.1580 -3.644302 15.83106 
1 1 1  -19   14   58 o   75.452   7.6909   42.072   7.2713   33.368   11.383   48.072   9.4510   67.536   12.908   83.367   8.3656 -15.83109 15.38174 
1 1 1  -19   14   59 o   85.289   6.8657   52.720   7.5764   42.300   11.858   59.908   9.8489   77.449   11.298   93.128   7.8041 -15.67873 13.73147 
1 1 1  -19   14   60 o   82.137   6.6486   46.582   7.3040   50.236   11.442   44.069   9.4889   84.675   9.9716   79.598   8.7969 5.076866 13.29728 
1 1 1  -19   14   61 o   52.940   9.8248   21.941   8.0143   32.878   10.548   7.0077   12.326   67.018   12.058   38.861   15.515 28.15689 19.64961 
1 1 1  -19   14   62 o  119.544   5.5276   99.286   8.8980   98.004   13.298  100.325   11.973  118.677   8.2689  120.411   7.3377 -1.733894 11.05519 
1 1 1  -19   14   63 o   79.325   7.3341   47.055   7.2651   33.552   10.866   57.971   9.7698   67.349   12.361   91.301   7.8964 -23.95158 14.66815 
1 1 1  -19   14   64 o   27.154   8.3051  -0.4641   5.7294  -4.7802   8.8919   2.6000   7.4919   25.392   11.598   28.917   11.891 -3.524733 16.61028 
1 1 1  -19   14   65 o   41.620   9.5289   12.516   6.0962   14.237   9.2869   11.213   8.0809   43.756   13.919   39.484   13.018 4.271873 19.05779 
1 1 1  -19   14   66 o   44.040   9.3094   13.714   6.1928   21.011   9.4568   8.2355   8.1941   52.360   13.302   35.719   13.028 16.64069 18.61886 
1 1 1  -19   14   67 o   72.231   7.0103   37.315   6.8218   36.869   10.163   37.681   9.2028   71.622   10.472   72.840   9.3232 -1.218323 14.02058 
1 1 1  -19   14   68 o   59.755   9.0513   25.791   7.3794   14.839   9.6349   41.332   11.477   44.152   14.191   75.359   11.239 -31.20720 18.10266 
1 1 1  -19   14   69 o   43.302   11.044   13.651   8.2073   12.915   13.090   14.127   10.535   43.228   16.334   43.376   14.870 -0.1474342 22.08849 
1 1 1  -19   14   70 o   76.065   9.8528   45.276   9.7043   40.916   14.950   48.452   12.758   71.043   15.922   81.088   11.610 -10.04558 19.70568 
1 1 1  -19   14   71 o   94.810   8.3586   66.744   10.578   66.222   16.330   67.122   13.885   93.739   12.855   95.881   10.687 -2.141876 16.71726 
1 1 1  -19   14   72 o   65.139   10.843   34.078   9.3427   38.531   14.336   30.790   12.318   68.589   15.755   61.689   14.902 6.899986 21.68638 
1 1 1  -19   14   73 o   78.091   9.8173   48.455   9.9237   41.960   14.975   53.541   13.251   71.347   15.895   84.836   11.526 -13.48872 19.63457 
1 1 1  -19   14   74 o   94.111   12.778   67.521   16.297   67.521   16.297   0.0000   0.0000   94.111   12.778  ?   ?       ?      ? 
1 1 1  -19   15    1 o  227.184   6.1571  343.162   17.720  376.754   31.864  328.122   21.321  234.793   10.015  219.575   7.1655 15.21812 12.31411 
1 1 1  -19   15    2 o  189.572   4.8717  244.223   12.503  238.708   17.242  250.340   18.158  187.327   6.7921  191.816   6.9857 -4.488342 9.743346 
1 1 1  -19   15    3 o  118.210   5.4188   94.279   8.5785   75.746   11.587  116.757   12.761  105.437   8.1097  130.982   7.1894 -25.54555 10.83765 
1 1 1  -19   15    4 o  119.283   5.3967   97.010   8.7118  101.439   12.219   92.432   12.424  122.074   7.3865  116.493   7.8701 5.581444 10.79348 
1 1 1  -19   15    5 o  216.549   4.9562  316.418   14.459  272.904   19.564  368.797   21.465  200.252   7.2096  232.847   6.8027 -32.59448 9.912303 
1 1 1  -19   15    6 o  230.890   4.9369  362.646   15.444  359.934   21.619  365.472   22.072  230.015   6.9357  231.766   7.0277 -1.750275 9.873795 
1 1 1  -19   15    7 o  199.163   4.9156  269.655   13.246  291.120   19.008  249.391   18.469  206.882   6.7802  191.443   7.1190 15.43811 9.831139 
1 1 1  -19   15    8 o  171.100   7.0796  199.195   16.415  199.195   16.415   0.0000   0.0000  171.100   7.0796  ?   ?       ?      ? 
1 1 1  -19   15    9 o  103.832   6.9253   73.344   9.7443   73.344   9.7443   0.0000   0.0000  103.832   6.9253  ?   ?       ?      ? 
1 1 1  -19   15   10 o  119.960   5.5809   96.034   8.5786   92.168   10.444  104.051   15.040  116.417   6.6202  123.503   8.9866 -7.086517 11.16181 
1 1 1  -19   15   11 o  177.284   5.3108  215.947   11.715  219.071   14.078  208.912   21.126  179.559   5.7857  175.010   8.9076 4.548904 10.62167 
1 1 1  -19   15   12 o  197.436   5.3116  263.347   13.064  260.271   15.609  270.540   23.869  195.706   5.8857  199.166   8.8437 -3.459717 10.62323 
1 1 1  -19   15   13 o  238.689   5.4297  387.891   15.951  387.814   18.945  388.077   29.563  238.896   5.8520  238.483   9.1478 0.4139099 10.85945 
1 1 1  -19   15   14 f  226.146   5.4003  348.829   15.052  349.679   17.906  346.781   27.786  226.849   5.8249  225.444   9.0952 1.405212 10.80056 
1 1 1  -19   15   15 o  118.464   5.7973   95.961   8.7767   96.638   10.775   94.625   15.130  119.201   6.6703  117.727   9.4839 1.474121 11.59468 
1 1 1  -19   15   16 f  117.619   5.6207   87.246   8.5397   72.604   10.337  118.713   15.154  103.276   7.3862  131.962   8.4743 -28.68647 11.24145 
1 1 1  -19   15   17 o  197.944   5.3149  263.820   13.100  259.410   15.628  274.239   24.021  195.376   5.9029  200.512   8.8402 -5.136627 10.62979 
1 1 1  -19   15   18 o  217.425   5.4699  330.432   14.709  343.867   17.726  300.725   26.358  224.951   5.8147  209.898   9.2666 15.05258 10.93989 
1 1 1  -19   15   19 o  235.760   5.4255  380.231   15.831  382.751   18.911  374.329   28.943  237.319   5.8803  234.202   9.1195 3.116516 10.85096 
1 1 1  -19   15   20 o  210.976   5.8598  307.362   16.431  327.456   21.678  280.233   25.189  219.328   7.2936  202.625   9.1736 16.70279 11.71970 
1 1 1  -19   15   21 o  149.066   5.9485  151.634   11.916  152.571   15.887  150.429   18.016  149.654   7.8335  148.478   8.9540 1.176407 11.89702 
1 1 1  -19   15   22 o  195.075   5.4618  260.573   13.342  262.826   16.090  255.613   23.872  196.632   6.0383  193.518   9.1030 3.114197 10.92362 
1 1 1  -19   15   23 o  116.861   8.7127   93.163   13.798   93.163   13.798   0.0000   0.0000  116.861   8.7127  ?   ?       ?      ? 
1 1 1  -19   15   24 o   59.417   13.952   25.298   11.042   25.298   11.042   0.0000   0.0000   59.417   13.952  ?   ?       ?      ? 
1 1 1  -19   15   25 o  133.165   5.6867  123.063   9.6610  127.775   11.943  114.139   16.434  137.063   6.4297  129.267   9.3815 7.796783 11.37343 
1 1 1  -19   15   26 o  184.902   5.2494  224.572   12.225  211.568   14.592  255.181   22.387  176.398   6.1044  193.407   8.5418 -17.00868 10.49887 
1 1 1  -19   15   27 o  141.579   6.5650  136.371   12.596  136.371   12.596   0.0000   0.0000  141.579   6.5650  ?   ?       ?      ? 
1 1 1  -19   15   28 o  208.627   5.3936  294.807   14.037  292.083   16.801  301.102   25.544  207.265   5.9817  209.988   8.9767 -2.722672 10.78711 
1 1 1  -19   15   29 f  118.194   6.0152   98.315   9.0793  105.390   11.352   85.751   15.127  124.438   6.7316  111.950   9.9709 12.48842 12.03049 
1 1 1  -19   15   30 o  130.017   5.7095  115.169   9.5515  114.903   11.782  115.681   16.314  129.931   6.6915  130.104   9.2531 -0.1728973 11.41909 
1 1 1  -19   15   31 o   74.640   7.5784   36.793   7.2586   26.753   9.2606   52.787   11.689   61.450   11.545   87.829   9.8207 -26.37991 15.15673 
1 1 1  -19   15   32 o  135.585   5.7915  129.516   10.010  139.009   12.499  112.536   16.716  142.920   6.4538  128.250   9.6184 14.66974 11.58297 
1 1 1  -19   15   33 o  179.152   5.2710  205.975   11.968  185.262   14.268  255.144   21.982  164.991   6.3813  193.314   8.3912 -28.32298 10.54200 
1 1 1  -19   15   34 o  126.941   5.6622  104.671   9.4059   91.055   11.610  130.681   16.046  115.570   7.4130  138.311   8.5611 -22.74072 11.32449 
1 1 1  -19   15   35 o  161.802   5.4371  177.363   11.290  174.803   13.847  182.439   19.499  160.244   6.3766  163.361   8.8083 -3.116577 10.87416 
1 1 1  -19   15   36 o   61.208   9.6076   26.969   7.7742   23.763   10.998   30.172   10.991   57.422   14.210   64.994   12.934 -7.572094 19.21515 
1 1 1  -19   15   37 o  143.111   9.1773  140.220   17.798   0.0000   0.0000  140.220   17.798  ?   ?   143.111   9.1773      ?      ? 
1 1 1  -19   15   38 o  154.097   7.3169  165.910   14.882  148.977   23.149  177.837   19.429  147.007   11.620  161.188   8.8948 -14.18102 14.63388 
1 1 1  -19   15   39 o  181.355   5.8662  226.753   14.129  235.014   18.441  215.012   21.984  185.569   7.3333  177.141   9.1582 8.428284 11.73245 
1 1 1  -19   15   40 o  119.533   6.4215   98.345   10.305  101.269   13.793   94.652   15.503  121.656   8.3665  117.411   9.7440 4.245201 12.84305 
1 1 1  -19   15   41 o   69.332   8.9764   34.275   8.1143   33.433   11.171   35.215   11.806   68.457   12.502   70.207   12.884 -1.749603 17.95287 
1 1 1  -19   15   42 o  114.571   6.2106   89.595   9.3310   88.405   11.761   91.616   15.329  113.714   7.6321  115.427   9.8000 -1.713066 12.42130 
1 1 1  -19   15   43 o  143.815   6.6809  141.156   13.020  141.156   13.020   0.0000   0.0000  143.815   6.6809  ?   ?       ?      ? 
1 1 1  -19   15   44 o   65.126   10.832   29.315   9.5595   29.315   9.5595   0.0000   0.0000   65.126   10.832  ?   ?       ?      ? 
1 1 1  -19   15   45 o   42.357   8.5909   7.0724   6.5642  -6.0203   8.5121   26.282   10.311   24.436   11.230   60.278   13.004 -35.84222 17.18189 
1 1 1  -19   15   46 o   42.628   9.2805   9.7196   6.5738   0.9429   8.5202   22.629   10.333   29.531   12.452   55.726   13.765 -26.19516 18.56102 
1 1 1  -19   15   47 o   76.344   7.6891   42.671   7.3556   33.719   11.519   48.835   9.5582   68.383   12.903   84.304   8.3665 -15.92142 15.37816 
1 1 1  -19   15   48 o  107.910   5.9144   79.939   8.5089   80.843   13.308   79.313   11.066  108.286   9.0691  107.534   7.5942 0.7525482 11.82879 
1 1 1  -19   15   49 o  138.604   5.4007  134.314   9.9404  115.433   14.924  149.369   13.327  129.470   8.5064  147.738   6.6566 -18.26784 10.80130 
1 1 1  -19   15   50 o  105.232   8.2409   85.489   9.6580   62.525   18.869   93.641   11.242   93.610   14.874  116.855   7.0995 -23.24445 16.48182 
1 1 1  -19   15   51 o  133.909   6.8233  126.498   10.912  119.719   20.855  129.054   12.804  130.635   11.781  137.183   6.8878 -6.548340 13.64657 
1 1 1  -19   15   52 o   92.706   7.7184   52.923   8.5527   76.401   17.838   45.914   9.7460  103.950   12.663   81.462   8.8285 22.48858 15.43683 
1 1 1  -19   15   53 o   89.544   8.7418   60.778   8.5915   50.764   16.958   64.236   9.9650   82.527   15.738   96.561   7.6154 -14.03406 17.48363 
1 1 1  -19   15   54 o  100.258   6.1519   69.923   8.1138   68.700   13.079   70.688   10.345   99.258   9.7234  101.257   7.5393 -1.999420 12.30387 
1 1 1  -19   15   55 o  139.120   5.2838  134.520   9.8300  126.729   14.908  140.513   13.075  135.299   8.1308  142.940   6.7502 -7.640839 10.56763 
1 1 1  -19   15   56 o   65.614   8.1323   31.960   6.7643   26.991   10.759   35.209   8.6986   60.151   13.527   71.077   9.0311 -10.92650 16.26470 
1 1 1  -19   15   57 o  143.716   5.2232  143.230   10.077  139.431   15.213  146.199   13.450  141.799   7.9172  145.632   6.8151 -3.832962 10.44645 
1 1 1  -19   15   58 o   76.338   7.0343   40.254   7.2035   47.140   11.186   35.375   9.4156   81.765   10.096   70.911   9.7983 10.85413 14.06865 
1 1 1  -19   15   59 o   28.996   9.0449  -1.6078   6.9460   0.3911   9.1302  -4.3542   10.702   29.444   12.667   28.547   12.914 0.8970432 18.08973 
1 1 1  -19   15   60 o   88.154   6.4829   55.630   7.5671   48.765   11.527   60.829   10.031   82.878   10.263   93.429   7.9230 -10.55117 12.96576 
1 1 1  -19   15   61 o   55.332   8.9131   23.563   6.4760   20.274   10.136   25.831   8.4181   51.384   14.121   59.281   10.880 -7.897411 17.82626 
1 1 1  -19   15   62 o   63.348   8.0296   28.637   6.6739   33.942   10.578   25.129   8.6022   68.523   11.392   58.173   11.319 10.35023 16.05920 
1 1 1  -19   15   63 o   49.343   9.4229   18.576   6.3372   19.288   10.184   18.126   8.0958   49.837   14.320   48.848   12.252 0.9891930 18.84573 
1 1 1  -19   15   64 o   50.250   9.2698   19.312   6.3170   20.623   9.7616   18.367   8.2859   51.492   13.736   49.007   12.452 2.485779 18.53955 
1 1 1  -19   15   65 o   45.751   10.383   15.039   7.3166   10.299   9.3957   22.343   11.662   38.637   13.972   52.866   15.363 -14.22898 20.76659 
1 1 1  -19   15   66 o   86.434   9.5053   57.658   10.643   50.951   15.934   63.060   14.300   80.148   15.227   92.719   11.381 -12.57159 19.01068 
1 1 1  -19   15   67 o   74.405   10.414   43.465   10.050   47.257   15.393   40.648   13.269   76.841   15.320   71.970   14.110 4.871185 20.82775 
1 1 1  -19   15   68 o   81.034   9.8217   48.781   10.332   66.265   16.512   37.531   13.245   93.545   13.026   68.524   14.703 25.02081 19.64334 
1 1 1  -19   15   69 o   69.886   10.710   38.587   9.8362   50.161   15.105   30.065   12.961   79.420   14.572   60.353   15.699 19.06690 21.41917 
1 1 1  -19   15   70 o   49.787   10.244   19.404   8.7230   3.0908   12.824   33.452   11.900   34.789   14.990   64.784   13.967 -29.99476 20.48784 
1 1 1  -19   15   71 f   31.597   14.000  -0.2246   11.891  -0.2246   11.891   0.0000   0.0000   31.597   14.000  ?   ?       ?      ? 
1 1 1  -19   16    1 o  164.575   4.9732  183.971   11.076  172.899   15.215  196.450   16.153  159.321   7.0473  169.829   7.0189 -10.50790 9.946344 
1 1 1  -19   16    2 f  147.710   5.0290  148.470   10.055  145.511   13.847  151.770   14.626  146.168   6.9909  149.252   7.2312 -3.083939 10.05799 
1 1 1  -19   16    3 o  165.875   5.0293  186.390   11.268  167.543   15.352  208.401   16.591  156.820   7.2242  174.929   6.9989 -18.10869 10.05851 
1 1 1  -19   16    4 o  193.756   6.6869  262.392   15.497  269.212   18.211  244.492   29.504  198.857   6.7578  188.654   11.541 10.20325 13.37370 
1 1 1  -19   16    5 o  105.727   9.2600   86.505   10.366   94.289   11.969   63.142   20.735  117.623   7.5088   93.832   16.930 23.79040 18.52005 
1 1 1  -19   16    6 o  119.958   5.4969   97.779   8.8721   82.560   12.179  114.985   12.951  110.007   8.1699  129.908   7.3564 -19.90146 10.99381 
1 1 1  -19   16    7 o  136.797   5.2003  127.626   9.6265  135.275   13.603  119.953   13.624  140.930   7.1230  132.664   7.5785 8.266464 10.40050 
1 1 1  -19   16    8 o  115.529   6.2632   92.823   9.5070   98.987   12.291   83.642   15.000  120.519   7.5257  110.539   10.014 9.979874 12.52630 
1 1 1  -19   16    9 o  100.242   5.9112   65.302   7.5702   59.449   9.1095   78.366   13.610   93.422   7.1955  107.063   9.3806 -13.64110 11.82250 
1 1 1  -19   16   10 o  103.589   6.0359   74.735   7.8585   77.443   9.5791   69.162   13.743  106.670   6.6268  100.509   10.090 6.160538 12.07174 
1 1 1  -19   16   11 o  109.989   5.8786   82.097   8.1477   81.328   9.8333   83.782   14.553  109.311   6.6382  110.666   9.7040 -1.354301 11.75725 
1 1 1  -19   16   12 o  137.648   5.4406  124.828   9.4019  118.191   11.203  140.635   17.289  131.808   6.2722  143.487   8.8916 -11.67946 10.88124 
1 1 1  -19   16   13 o  131.640   5.5224  115.173   9.1313  110.500   10.913  126.083   16.675  127.442   6.3191  135.839   9.0585 -8.396469 11.04475 
1 1 1  -19   16   14 o  120.380   5.7440   97.524   8.7604   95.177   10.587  102.620   15.603  118.253   6.6063  122.508   9.3985 -4.255104 11.48805 
1 1 1  -19   16   15 o  201.742   5.4311  279.474   13.483  282.344   16.057  272.610   24.830  203.775   5.8148  199.710   9.1746 4.064606 10.86214 
1 1 1  -19   16   16 f  167.170   5.3985  188.900   11.286  186.377   13.521  194.696   20.491  165.537   6.0276  168.804   8.9579 -3.267685 10.79698 
1 1 1  -19   16   17 o  145.164   6.1629  145.501   11.962  156.312   16.061  132.036   17.924  151.397   7.8286  138.931   9.5204 12.46596 12.32577 
1 1 1  -19   16   18 o  163.784   5.9346  181.207   13.030  170.882   17.027  195.801   20.243  158.277   7.9383  169.292   8.8240 -11.01453 11.86921 
1 1 1  -19   16   19 o   85.250   6.7692   48.888   7.5399   46.702   9.3891   52.859   12.653   82.709   8.3769   87.792   10.635 -5.082283 13.53833 
1 1 1  -19   16   20 o   95.482   6.6727   65.727   8.0261   73.565   10.068   52.062   13.293  103.909   7.1504   87.056   11.268 16.85297 13.34535 
1 1 1  -19   16   21 o  140.302   5.6145  135.131   10.053  136.815   12.343  131.814   17.326  141.775   6.4247  138.828   9.2094 2.947098 11.22893 
1 1 1  -19   16   22 o  157.394   5.5009  167.058   10.973  163.630   13.275  174.455   19.497  155.054   6.3176  159.734   9.0071 -4.679474 11.00178 
1 1 1  -19   16   23 o  206.794   5.4926  291.192   14.147  290.338   16.939  293.162   25.720  206.572   6.0511  207.017   9.1683 -0.4453278 10.98515 
1 1 1  -19   16   24 o  232.021   6.0607  366.315   19.056  366.315   19.056   0.0000   0.0000  232.021   6.0607  ?   ?       ?      ? 
1 1 1  -19   16   25 o  204.787   5.6439  294.131   14.465  308.212   17.630  265.129   25.302  212.809   6.1134  196.766   9.4890 16.04323 11.28778 
1 1 1  -19   16   26 o  136.127   6.0857  124.111   11.085  111.248   14.352  143.128   17.451  127.605   8.2997  144.649   8.9028 -17.04352 12.17147 
1 1 1  -19   16   27 o   97.797   6.8925   64.188   9.0055   51.205   11.886   81.684   13.798   86.382   10.154  109.211   9.3233 -22.82931 13.78494 
1 1 1  -19   16   28 o  124.135   6.2844  105.260   10.449  104.173   13.736  106.751   16.096  123.467   8.2097  124.804   9.5171 -1.336472 12.56876 
1 1 1  -19   16   29 o   83.992   8.7985   52.231   9.0865   72.121   12.637   30.941   13.075  102.618   9.0875   65.366   15.069 37.25256 17.59693 
1 1 1  -19   16   30 o  128.695   11.628  114.262   20.279  114.262   20.279   0.0000   0.0000  128.695   11.628  ?   ?       ?      ? 
1 1 1  -19   16   31 o  128.263   8.3567  112.549   14.525  112.549   14.525   0.0000   0.0000  128.263   8.3567  ?   ?       ?      ? 
1 1 1  -19   16   32 o  132.709   7.5672  123.752   13.281  107.044   20.252  136.360   17.592  124.410   12.012  141.007   9.2064 -16.59765 15.13441 
1 1 1  -19   16   33 o  105.529   6.6276   78.655   9.0670   85.516   11.591   67.835   14.555  111.859   7.6464   99.198   10.827 12.66048 13.25517 
1 1 1  -19   16   34 o  183.110   5.4577  217.745   12.741  197.655   15.294  263.305   23.031  170.221   6.6300  195.999   8.6712 -25.77789 10.91547 
1 1 1  -19   16   35 o  140.324   6.3070  133.843   11.934  122.145   15.944  148.744   17.995  133.438   8.8174  147.210   9.0204 -13.77225 12.61408 
1 1 1  -19   16   36 o  116.348   6.2066   93.439   9.3539   94.805   11.682   90.999   15.614  117.764   7.3204  114.933   10.025 2.831306 12.41311 
1 1 1  -19   16   37 o  136.241   6.0886  132.983   10.513  146.255   13.174  109.718   17.443  146.362   6.6423  126.120   10.206 20.24194 12.17724 
1 1 1  -19   16   38 o  187.806   5.6968  249.089   13.451  263.198   16.504  221.179   23.212  196.410   6.2006  179.202   9.5585 17.20770 11.39357 
1 1 1  -19   16   39 o  133.547   5.9174  121.426   10.215  119.115   12.620  125.818   17.397  131.971   7.0568  135.123   9.5007 -3.152725 11.83479 
1 1 1  -19   16   40 f  131.757   5.8047  114.626   9.9951  103.196   12.345  136.377   17.030  122.746   7.4216  140.768   8.9274 -18.02221 11.60942 
1 1 1  -19   16   41 o  119.869   7.4068   98.461   12.031   98.461   12.031   0.0000   0.0000  119.869   7.4068  ?   ?       ?      ? 
1 1 1  -19   16   42 o  121.418   6.0242  100.484   9.5464   97.910   11.920  105.090   15.942  119.509   7.3600  123.328   9.5392 -3.818665 12.04848 
1 1 1  -19   16   43 o   89.589   6.8376   54.408   8.1764   49.398   10.519   62.056   12.997   84.577   9.1776   94.600   10.138 -10.02365 13.67528 
1 1 1  -19   16   44 o   82.408   8.2128   47.465   9.1657   48.503   13.251   46.514   12.691   83.242   11.747   81.575   11.481 1.666512 16.42561 
1 1 1  -19   16   45 o   79.009   8.3966   43.966   8.9197   42.305   13.315   45.318   12.014   77.459   12.685   80.560   11.005 -3.101227 16.79324 
1 1 1  -19   16   46 o   53.163   10.715   20.861   8.0500   20.913   12.243   20.822   10.684   53.249   15.816   53.077   14.461 0.1720543 21.43011 
1 1 1  -19   16   47 o  100.665   6.5689   71.026   8.6629   73.287   11.042   67.407   13.970  103.099   7.9035   98.232   10.495 4.867027 13.13787 
1 1 1  -19   16   48 o  110.649   6.2662   83.636   9.0706   80.235   11.329   89.709   15.139  107.859   7.7512  113.439   9.8478 -5.579872 12.53238 
1 1 1  -19   16   49 o  107.746   6.8806   86.426   9.2726  100.552   11.772   63.335   15.051  120.841   7.1887   94.652   11.734 26.18867 13.76122 
1 1 1  -19   16   50 o  132.436   6.4978  120.989   11.600  110.567   15.465  134.393   17.538  126.033   9.0551  138.840   9.3216 -12.80696 12.99565 
1 1 1  -19   16   51 o   58.486   11.360   25.103   8.9799   30.472   15.129   22.183   11.158   62.744   17.255   54.227   14.780 8.517666 22.71977 
1 1 1  -19   16   52 o   50.373   9.1897   19.328   6.2547   16.439   10.196   21.071   7.9200   47.143   14.525   53.603   11.261 -6.459728 18.37940 
1 1 1  -19   16   53 o   54.110   8.7636   20.437   6.2111   29.389   10.195   15.152   7.8324   63.042   12.375   45.178   12.412 17.86386 17.52715 
1 1 1  -19   16   54 o   44.668   9.4453   15.083   6.1844   11.909   10.034   17.028   7.8535   41.550   14.497   47.786   12.112 -6.236320 18.89056 
1 1 1  -19   16   55 o   46.553   9.1881   16.844   6.2436   10.542   9.8674   21.051   8.0631   39.824   14.330   53.283   11.504 -13.45929 18.37616 
1 1 1  -19   16   56 o   46.882   10.663   16.444   7.6277   16.126   10.015   16.882   11.771   46.283   14.418   47.481   15.714 -1.198341 21.32630 
1 1 1  -19   16   57 o  103.365   5.9307   76.049   8.1708   65.424   12.078   85.014   11.095   96.222   9.2630  110.507   7.4087 -14.28577 11.86138 
1 1 1  -19   16   58 o   36.989   9.0773   7.4239   5.8541   16.108   9.3287   1.7827   7.5188   45.963   13.840   28.015   11.749 17.94811 18.15458 
1 1 1  -19   16   59 o   40.783   9.2182   12.509   6.0045   7.2126   9.4871   16.048   7.7555   35.610   13.791   45.956   12.236 -10.34603 18.43648 
1 1 1  -19   16   60 o   66.685   7.5238   31.904   6.7262   33.687   10.396   30.621   8.8212   68.019   11.279   65.350   9.9609 2.668350 15.04754 
1 1 1  -19   16   61 o   39.482   9.2875   9.4018   7.1057   20.258   9.4564  -4.6773   10.769   50.972   13.483   27.993   12.777 22.97858 18.57497 
1 1 1  -19   16   62 o   49.282   10.519   18.538   7.5703   14.639   9.8042   24.296   11.914   43.708   14.335   54.856   15.397 -11.14763 21.03731 
1 1 1  -19   16   63 o   68.953   9.0467   33.847   8.0705   21.927   10.217   53.626   13.161   52.554   14.067   85.352   11.379 -32.79854 18.09331 
1 1 1  -19   16   64 o   42.271   10.322   10.950   8.6800  -5.2889   13.052   23.829   11.623   30.420   13.952   54.122   15.214 -23.70166 20.64309 
1 1 1  -19   16   65 o   30.664   9.5616  -0.3392   7.7862  -4.0340   12.108   2.2659   10.167   29.841   13.592   31.487   13.452 -1.646469 19.12312 
1 1 1  -19   16   66 o   45.006   11.242   15.082   8.4934   20.852   13.372   11.181   10.996   50.100   16.755   39.912   14.994 10.18771 22.48446 
1 1 1  -19   16   67 o   44.263   11.413   15.064   8.7941   15.839   13.739   14.527   11.446   45.192   16.802   43.334   15.451 1.858868 22.82641 
1 1 1  -19   16   68 o   52.617   15.701   23.221   12.045   0.0000   0.0000   23.221   12.045  ?   ?    52.617   15.701      ?      ? 
1 1 1  -19   17    1 o  167.440   7.8239  226.762   14.510  269.629   17.406  129.120   26.269  198.869   6.4588  136.011   14.253 62.85829 15.64776 
1 1 1  -19   17    2 o  162.936   5.0990  180.948   11.220  177.708   15.194  184.835   16.641  161.379   6.9476  164.494   7.4654 -3.114899 10.19808 
1 1 1  -19   17    3 o  105.130   5.8739   74.884   8.3252   67.937   11.118   83.749   12.560   99.644   8.2339  110.615   8.3793 -10.97077 11.74774 
1 1 1  -19   17    4 o  175.508   7.3104  210.315   17.387   0.0000   0.0000  210.315   17.387  ?   ?   175.508   7.3104      ?      ? 
1 1 1  -19   17    5 o  189.968   5.0158  247.051   12.871  263.138   17.932  229.959   18.484  196.433   6.7366  183.504   7.4331 12.92944 10.03157 
1 1 1  -19   17    6 o  133.508   5.3315  121.856   9.6264  123.654   13.258  119.852   14.000  134.588   7.2693  132.428   7.8011 2.159821 10.66300 
1 1 1  -19   17    7 o   85.520   6.4578   49.850   7.4493   43.591   10.156   57.139   10.959   79.713   9.4019   91.327   8.8554 -11.61398 12.91561 
1 1 1  -19   17    8 f   83.820   6.5850   44.322   7.0035   38.035   8.3232   59.565   12.961   74.568   8.2367   93.072   10.276 -18.50343 13.16994 
1 1 1  -19   17    9 o  103.321   6.1731   70.873   7.8967   67.807   9.3288   78.626   14.832   99.703   6.9045  106.939   10.235 -7.235168 12.34612 
1 1 1  -19   17   10 o  108.367   5.9647   76.475   8.0946   70.778   9.5896   90.591   15.097  101.861   6.9472  114.873   9.6979 -13.01184 11.92949 
1 1 1  -19   17   11 o   84.365   6.7403   48.473   7.1838   47.828   8.6836   49.870   12.787   83.672   7.6584   85.058   11.094 -1.385971 13.48051 
1 1 1  -19   17   12 o   91.316   6.4818   56.283   7.5380   54.639   9.1453   59.766   13.312   89.441   7.5453   93.190   10.542 -3.749046 12.96364 
1 1 1  -19   17   13 o  135.068   6.4682  129.362   11.428  152.038   15.290  100.660   17.202  149.192   7.5626  120.945   10.496 28.24709 12.93631 
1 1 1  -19   17   14 f  186.079   5.9313  238.889   14.633  247.057   19.026  227.060   22.897  190.214   7.3810  181.945   9.2866 8.269073 11.86254 
1 1 1  -19   17   15 o  161.322   5.4704  175.498   10.996  171.958   13.118  183.864   20.167  158.884   6.0924  163.761   9.0875 -4.876877 10.94073 
1 1 1  -19   17   16 o   97.791   6.5290   66.921   8.1125   69.681   10.002   61.617   13.868  101.020   7.3066   94.562   10.823 6.457664 13.05807 
1 1 1  -19   17   17 o  156.377   5.5518  166.369   10.807  165.124   12.921  169.268   19.714  155.682   6.1246  157.072   9.2618 -1.389877 11.10365 
1 1 1  -19   17   18 o  182.659   5.5350  229.416   12.508  231.354   14.948  224.891   22.844  184.294   5.9854  181.023   9.3123 3.270508 11.06996 
1 1 1  -19   17   19 o  109.316   6.1908   81.001   8.5916   79.366   10.414   84.485   15.203  107.818   7.1276  110.814   10.124 -2.996109 12.38154 
1 1 1  -19   17   20 o  111.073   6.9932   84.217   10.526   84.217   10.526   0.0000   0.0000  111.073   6.9932  ?   ?       ?      ? 
1 1 1  -19   17   21 o  121.807   6.7248  101.236   11.100  101.236   11.100   0.0000   0.0000  121.807   6.7248  ?   ?       ?      ? 
1 1 1  -19   17   22 o  133.792   5.7354  120.549   9.7374  116.997   11.772  128.245   17.327  130.950   6.6339  136.634   9.3578 -5.684097 11.47074 
1 1 1  -19   17   23 o   77.548   7.4408   40.877   7.5688   39.191   9.4873   43.831   12.553   75.532   9.2690   79.565   11.642 -4.033150 14.88155 
1 1 1  -19   17   24 o  108.057   6.4545   82.990   8.8029   88.816   10.885   71.977   14.965  114.026   7.0446  102.089   10.817 11.93689 12.90896 
1 1 1  -19   17   25 o  108.575   6.2249   79.701   8.6880   77.181   10.636   84.754   15.061  106.241   7.3874  110.909   10.021 -4.667358 12.44978 
1 1 1  -19   17   26 o   70.912   8.1616   33.186   7.3856   22.789   9.3304   50.631   12.086   56.178   12.570   85.647   10.413 -29.46951 16.32329 
1 1 1  -19   17   27 o   84.941   9.1376   49.402   10.245   54.392   16.792   46.443   12.930   88.069   14.070   81.813   11.663 6.255409 18.27513 
1 1 1  -19   17   28 f  106.063   6.4002   77.864   8.7989   79.165   11.005   75.560   14.649  107.536   7.5521  104.591   10.335 2.944633 12.80047 
1 1 1  -19   17   29 o  113.160   6.3912   91.196   9.2169   98.692   11.546   78.027   15.303  120.125   7.0927  106.195   10.634 13.92942 12.78246 
1 1 1  -19   17   30 o  113.052   6.1224   83.795   9.0356   73.858   11.122  103.090   15.497  103.782   7.9079  122.323   9.3488 -18.54063 12.24484 
1 1 1  -19   17   31 o   73.315   9.0351   38.403   8.7129   43.136   12.211   33.494   12.436   78.770   11.439   67.860   13.989 10.91024 18.07026 
1 1 1  -19   17   32 o  107.471   7.3426   81.634   10.444   97.510   14.422   64.124   15.145  118.989   8.9438   95.953   11.647 23.03562 14.68519 
1 1 1  -19   17   33 o  133.356   5.8640  117.913   10.113  108.642   12.355  136.733   17.603  125.926   7.2399  140.787   9.2266 -14.86143 11.72806 
1 1 1  -19   17   34 o   41.472   15.243   10.192   11.248   0.0000   0.0000   10.192   11.248  ?   ?    41.472   15.243      ?      ? 
1 1 1  -19   17   35 o   66.524   9.6468   31.843   8.5587   25.684   11.895   38.455   12.324   58.979   14.882   74.069   12.278 -15.08990 19.29367 
1 1 1  -19   17   36 o   89.040   8.1719   55.422   9.8569   53.516   13.871   57.367   14.009   87.458   11.704   90.621   11.408 -3.162949 16.34385 
1 1 1  -19   17   37 o  126.403   13.547  113.183   23.205  113.183   23.205   0.0000   0.0000  126.403   13.547  ?   ?       ?      ? 
1 1 1  -19   17   38 o  146.165   8.7985  147.651   17.427  147.651   17.427   0.0000   0.0000  146.165   8.7985  ?   ?       ?      ? 
1 1 1  -19   17   39 o   59.752   9.6054   26.777   7.5591   29.566   9.5087   21.988   12.460   65.045   10.788   54.458   15.896 10.58655 19.21073 
1 1 1  -19   17   40 o   69.144   8.2036   33.765   7.3548   32.526   9.4328   35.686   11.746   68.293   10.193   69.996   12.857 -1.703087 16.40717 
1 1 1  -19   17   41 o  115.740   6.1572   92.484   9.2377   91.724   11.485   93.876   15.547  115.435   7.3418  116.045   9.8864 -0.6100006 12.31439 
1 1 1  -19   17   42 o  100.868   6.4982   70.566   8.5502   70.100   10.722   71.379   14.171  100.759   7.8524  100.978   10.356 -0.2196426 12.99632 
1 1 1  -19   17   43 o   22.866   7.4757 -10.7452   5.8404 -20.4591   8.0273   0.1803   8.5132   17.159   8.5572   28.572   12.260 -11.41314 14.95136 
1 1 1  -19   17   44 o   53.614   9.4284   20.777   6.7921   16.831   8.8621   26.396   10.574   47.674   13.244   59.555   13.423 -11.88103 18.85680 
1 1 1  -19   17   45 o   74.790   7.8062   37.906   7.5306   29.081   9.5283   52.591   12.291   63.162   11.558   86.418   10.496 -23.25597 15.61235 
1 1 1  -19   17   46 o   91.544   6.8339   57.742   8.1681   55.057   10.166   62.632   13.720   88.965   8.4324   94.124   10.757 -5.159378 13.66782 
1 1 1  -19   17   47 o  103.212   6.3679   72.609   8.6006   67.648   10.694   81.696   14.472   98.684   7.9965  107.740   9.9125 -9.055611 12.73588 
1 1 1  -19   17   48 o   58.512   9.5725   25.561   8.1871   40.761   11.694   10.948   11.466   75.547   11.423   41.477   15.364 34.06990 19.14491 
1 1 1  -19   17   49 o   55.136   8.7884   20.694   6.9811   8.6483   9.0786   38.122   10.920   37.176   13.690   73.097   11.024 -35.92052 17.57674 
1 1 1  -19   17   50 o   64.779   8.4005   30.394   7.0693   29.144   9.0774   32.321   11.269   63.995   10.467   65.563   13.142 -1.567341 16.80092 
1 1 1  -19   17   51 o   52.203   9.2996   19.342   6.7263   11.998   8.6649   30.478   10.670   40.748   13.482   63.658   12.813 -22.91007 18.59920 
1 1 1  -19   17   52 o   87.479   6.9053   53.743   7.9203   51.935   9.9481   56.872   13.089   85.970   8.5391   88.989   10.854 -3.019165 13.81061 
1 1 1  -19   17   53 o   79.816   8.9645   45.019   9.6961   45.019   9.6961   0.0000   0.0000   79.816   8.9645  ?   ?       ?      ? 
1 1 1  -19   17   54 o   93.258   8.0938   61.092   10.229   61.092   10.229   0.0000   0.0000   93.258   8.0938  ?   ?       ?      ? 
1 1 1  -19   17   55 o  111.853   6.2348   85.340   8.9324   79.015   10.815   98.909   15.843  106.246   7.5118  117.459   9.9531 -11.21278 12.46964 
1 1 1  -19   17   56 o   54.290   10.294   22.384   7.6980   17.388   9.9330   29.898   12.181   47.205   14.297   61.374   14.815 -14.16919 20.58825 
1 1 1  -19   17   57 f   53.450   10.088   23.124   7.6132   27.772   10.170   17.201   11.482   60.012   12.890   46.887   15.520 13.12482 20.17514 
1 1 1  -19   17   58 o   65.196   9.3777   34.459   8.0376   44.147   10.755   22.202   12.097   78.102   10.161   52.290   15.764 25.81261 18.75544 
1 1 1  -19   17   59 o   60.195   9.4267   29.490   7.7258   37.943   10.310   18.664   11.668   72.142   10.546   48.248   15.628 23.89336 18.85348 
1 1 1  -19   17   60 o   48.900   10.389   18.935   7.3344   17.580   9.4917   20.944   11.555   47.090   13.911   50.710   15.434 -3.620083 20.77739 
1 1 1  -19   17   61 o   44.490   10.746   15.307   8.3833   6.3337   12.937   21.802   11.007   37.225   15.495   51.755   14.892 -14.53028 21.49143 
1 1 1  -19   17   62 o   35.174   10.410   5.0891   8.1892   5.3790   12.990   4.8978   10.550   36.479   15.378   33.870   14.037 2.608845 20.82078 
1 1 1  -19   17   63 o   31.911   9.7280   0.1659   8.2168 -10.5141   12.750   7.7518   10.746   27.428   12.973   36.395   14.500 -8.967543 19.45605 
1 1 1  -19   17   64 o   81.881   12.869   51.485   14.279   0.0000   0.0000   51.485   14.279  ?   ?    81.881   12.869      ?      ? 
1 1 1  -19   17   65 o   38.093   15.062   9.3248   11.513   0.0000   0.0000   9.3248   11.513  ?   ?    38.093   15.062      ?      ? 
1 1 1  -19   17   66 f   55.610   16.522   26.956   13.360   0.0000   0.0000   26.956   13.360  ?   ?    55.610   16.522      ?      ? 
1 1 1  -19   18    1 o   76.515   7.1013   39.701   7.2832   34.774   9.4937   46.747   11.354   70.892   9.8823   82.139   10.201 -11.24715 14.20255 
1 1 1  -19   18    2 o   70.936   7.8986   35.988   7.2729   39.132   9.7294   32.007   10.949   75.265   9.5392   66.606   12.592 8.658188 15.79721 
1 1 1  -19   18    3 o  195.530   5.0988  256.835   13.379  220.412   17.579  306.975   20.625  179.367   7.2321  211.692   7.1895 -32.32501 10.19767 
1 1 1  -19   18    4 o  175.042   5.1421  211.538   12.090  238.614   16.878  183.006   17.326  186.789   6.6679  163.295   7.8296 23.49341 10.28418 
1 1 1  -19   18    5 o   59.486   8.7385   26.869   7.0679   39.787   9.7050   12.279   10.314   75.927   9.4323   43.045   14.713 32.88222 17.47702 
1 1 1  -19   18    6 o   70.984   8.1064   37.333   7.2319   48.268   9.8888   24.761   10.603   83.745   8.7137   58.224   13.672 25.52067 16.21287 
1 1 1  -19   18    7 o   92.564   8.2110   65.765   9.0340   80.218   11.561   43.098   14.478  108.114   7.8908   77.013   14.402 31.10151 16.42206 
1 1 1  -19   18    8 o  108.968   6.5222   79.844   9.3003   74.539   11.563   89.562   15.651  104.167   8.1917  113.768   10.151 -9.601044 13.04436 
1 1 1  -19   18    9 o   57.378   11.622   25.123   9.6042   16.793   16.346   29.515   11.869   51.211   18.442   63.544   14.147 -12.33265 23.24335 
1 1 1  -19   18   10 o   50.891   11.970   14.810   9.3511   27.995   16.711   8.7999   11.283   61.577   18.520   40.204   15.171 21.37383 23.94027 
1 1 1  -19   18   11 o   97.845   7.4509   70.562   9.2031   83.195   11.839   51.269   14.631  110.096   7.9349   85.594   12.613 24.50186 14.90175 
1 1 1  -19   18   12 o   92.016   7.4972   60.779   8.9642   68.796   11.690   49.336   13.966   99.998   8.6264   84.034   12.264 15.96367 14.99440 
1 1 1  -19   18   13 o   59.257   9.3260   27.063   7.9669   41.271   10.690   9.3104   11.949   77.213   10.216   41.301   15.605 35.91273 18.65199 
1 1 1  -19   18   14 f   69.366   9.1374   35.165   8.2441   40.724   11.115   28.366   12.292   76.614   10.706   62.118   14.811 14.49641 18.27472 
1 1 1  -19   18   15 o  163.757   6.0434  183.741   13.127  180.873   16.861  188.153   20.917  162.385   7.6624  165.129   9.3475 -2.744583 12.08674 
1 1 1  -19   18   16 o  199.518   7.3557  272.822   19.888  272.822   19.888   0.0000   0.0000  199.518   7.3557  ?   ?       ?      ? 
1 1 1  -19   18   17 o   90.845   9.9927   57.117   12.302   57.117   12.302   0.0000   0.0000   90.845   9.9927  ?   ?       ?      ? 
1 1 1  -19   18   18 o   65.084   9.4484   30.836   8.1378   34.534   10.989   26.345   12.110   70.384   11.521   59.784   14.979 10.60061 18.89687 
1 1 1  -19   18   19 o  144.378   6.1126  141.290   11.754  132.037   15.083  155.596   18.756  138.615   8.0298  150.141   9.2183 -11.52525 12.22515 
1 1 1  -19   18   20 o  142.023   6.1672  140.060   11.624  144.772   15.145  133.304   18.134  145.215   7.6960  138.831   9.6388 6.384415 12.33431 
1 1 1  -19   18   21 o   65.072   9.4359   30.314   8.2263   18.693   11.200   43.926   12.122   50.765   15.138   79.380   11.269 -28.61511 18.87183 
1 1 1  -19   18   22 o   98.072   8.1633   65.797   10.736   79.346   16.582   56.018   14.088  106.604   11.479   89.541   11.610 17.06243 16.32670 
1 1 1  -19   18   23 o  176.611   5.6916  219.385   12.529  227.622   15.184  201.815   22.178  182.477   6.1404  170.745   9.5849 11.73274 11.38310 
1 1 1  -19   18   24 o  151.057   5.7256  155.643   10.909  153.233   13.164  160.927   19.492  149.626   6.4925  152.487   9.4328 -2.861343 11.45124 
1 1 1  -19   18   25 o   77.077   7.4258   38.342   7.4649   30.014   9.1892   54.504   12.801   65.699   10.321   88.455   10.679 -22.75568 14.85164 
1 1 1  -19   18   26 o   79.795   7.5124   44.969   7.6696   46.322   9.4997   42.436   12.998   81.931   8.5562   77.660   12.351 4.270699 15.02485 
1 1 1  -19   18   27 f  121.446   6.0367  100.356   9.3479   97.586   11.362  106.160   16.445  119.250   7.0309  123.641   9.8150 -4.390526 12.07342 
1 1 1  -19   18   28 o  117.971   6.7489   98.133   10.585  107.648   14.152   86.054   15.946  124.891   8.3619  111.052   10.596 13.83833 13.49786 
1 1 1  -19   18   29 o  109.740   6.8984   83.965   10.187   86.058   13.732   81.403   15.191  111.448   9.0926  108.031   10.377 3.416634 13.79689 
1 1 1  -19   18   30 o   67.643   8.1795   30.716   7.1348   24.971   8.8685   41.256   12.013   58.685   11.563   76.602   11.572 -17.91703 16.35902 
1 1 1  -19   18   31 o   48.122   9.8217   17.046   6.6855   17.672   8.5635   16.067   10.698   49.023   12.765   47.222   14.930 1.801533 19.64330 
1 1 1  -19   18   32 f   32.886   8.2934   1.4551   6.2596   14.321   8.2235 -16.2684   9.6519   44.353   12.904   21.420   10.421 22.93377 16.58672 
1 1 1  -19   18   33 o   31.729   9.2573   2.1239   6.3977  -0.3493   8.2889   5.7686   10.062   27.811   12.017   35.647   14.085 -7.836655 18.51468 
1 1 1  -19   18   34 o   91.197   6.8589   56.183   8.1414   51.733   10.030   64.777   13.938   86.368   8.5700   96.026   10.711 -9.658333 13.71776 
1 1 1  -19   18   35 o   71.769   9.6501   35.980   9.3854   35.980   9.3854   0.0000   0.0000   71.769   9.6501  ?   ?       ?      ? 
1 1 1  -19   18   36 o   56.215   9.0723   26.047   7.3111   36.448   9.2635   8.8672   11.906   72.237   9.4631   40.193   15.481 32.04419 18.14460 
1 1 1  -19   18   37 o   93.600   6.8004   60.172   8.3078   57.195   10.328   65.628   13.983   90.738   8.3995   96.462   10.697 -5.724319 13.60072 
1 1 1  -19   18   38 o  141.798   5.9263  140.125   10.644  140.768   12.964  138.796   18.645  142.952   6.6924  140.644   9.7825 2.307663 11.85266 
1 1 1  -19   18   39 o  119.243   6.2279   98.132   9.5070   95.908   11.621  102.632   16.532  117.772   7.2814  120.713   10.106 -2.940887 12.45588 
1 1 1  -19   18   40 o   57.829   9.4109   23.471   7.1258   17.322   8.9552   34.084   11.765   48.083   13.297   67.576   13.321 -19.49313 18.82183 
1 1 1  -19   18   41 o   59.212   9.2342   24.859   7.0893   19.333   8.9387   34.229   11.639   50.718   12.958   67.707   13.159 -16.98961 18.46843 
1 1 1  -19   18   42 o   46.632   9.7572   14.834   6.6917   9.2741   8.5181   23.797   10.815   37.459   13.332   55.805   14.251 -18.34588 19.51447 
1 1 1  -19   18   43 o   40.557   8.5858   9.9531   6.8713   22.756   8.7915 -10.1460   11.015   55.198   12.088   25.916   12.196 29.28251 17.17155 
1 1 1  -19   18   44 o   52.199   14.445   20.968   10.564   20.968   10.564   0.0000   0.0000   52.199   14.445  ?   ?       ?      ? 
1 1 1  -19   18   45 o   81.583   10.760   47.692   11.896   47.692   11.896   0.0000   0.0000   81.583   10.760  ?   ?       ?      ? 
1 1 1  -19   18   46 o   63.354   9.2779   28.987   7.4013   25.398   9.0813   36.087   12.773   58.229   11.910   68.479   14.229 -10.24991 18.55577 
1 1 1  -19   18   47 o   30.688   9.1173   2.2900   6.2719   1.6132   7.9965   3.3719   10.110   28.546   12.051   32.830   13.684 -4.283377 18.23454 
1 1 1  -19   18   48 o   52.986   9.5226   21.492   6.6747   20.983   8.3710   22.381   11.060   52.636   12.002   53.335   14.787 -0.6987839 19.04513 
1 1 1  -19   18   49 o   23.774   7.8564  -7.3890   6.3184  -4.8703   8.6540 -10.2643   9.2465   24.713   11.345   22.835   10.872 1.878036 15.71283 
1 1 1  -19   18   50 o   79.571   8.1686   46.057   8.6376   44.744   11.124   48.049   13.706   78.705   10.430   80.437   12.574 -1.732445 16.33724 
1 1 1  -19   18   51 o   80.233   9.9680   46.343   10.838   46.343   10.838   0.0000   0.0000   80.233   9.9680  ?   ?       ?      ? 
1 1 1  -19   18   52 o   46.126   10.186   16.925   7.2800   20.579   9.4873   11.693   11.353   51.223   13.483   41.029   15.270 10.19388 20.37099 
1 1 1  -19   18   53 o   23.760   7.9080  -8.1888   6.4544  -9.6583   8.5200  -6.2095   9.8877   21.780   10.387   25.741   11.927 -3.961037 15.81592 
1 1 1  -19   18   54 o   76.739   8.7447   45.042   8.5808   47.025   11.070   42.057   13.582   80.491   10.149   72.988   14.244 7.503059 17.48935 
1 1 1  -19   18   55 o   73.973   8.6752   39.632   8.2669   28.624   10.622   56.546   13.166   60.352   13.342   87.593   11.092 -27.24044 17.35041 
1 1 1  -19   18   56 o   53.153   10.504   22.728   7.7346   21.487   9.9441   24.628   12.307   51.806   13.883   54.499   15.766 -2.692757 21.00723 
1 1 1  -19   18   57 o   77.718   8.2033   44.374   8.4692   41.571   10.827   48.793   13.594   75.185   10.627   80.252   12.500 -5.066910 16.40667 
1 1 1  -19   18   58 o   74.524   8.8825   39.461   8.4348   27.218   10.530   61.386   14.091   58.391   13.566   90.657   11.470 -32.26609 17.76500 
1 1 1  -19   18   59 o   53.701   15.859   24.314   12.339   0.0000   0.0000   24.314   12.339  ?   ?    53.701   15.859      ?      ? 
1 1 1  -19   18   60 o   78.077   12.949   47.051   13.701   0.0000   0.0000   47.051   13.701  ?   ?    78.077   12.949      ?      ? 
1 1 1  -19   18   61 o   47.392   15.959   18.837   12.132   0.0000   0.0000   18.837   12.132  ?   ?    47.392   15.959      ?      ? 
1 1 1  -19   18   62 o   67.578   15.160   38.270   13.541   0.0000   0.0000   38.270   13.541  ?   ?    67.578   15.160      ?      ? 
1 1 1  -19   18   63 o   36.627   14.821   8.2033   11.414   0.0000   0.0000   8.2033   11.414  ?   ?    36.627   14.821      ?      ? 
1 1 1  -19   19    1 o   44.313   9.4430   14.224   6.0829   13.985   7.9646   14.559   9.4233   43.768   12.690   44.859   13.988 -1.091515 18.88599 
1 1 1  -19   19    2 o   71.616   7.1329   35.228   6.8420   31.800   8.8878   40.215   10.720   67.498   9.7168   75.733   10.445 -8.235199 14.26577 
1 1 1  -19   19    3 f   29.177   8.6081   1.0937   5.6126  -1.2022   7.2401   4.5511   8.8849   25.295   11.076   33.059   13.181 -7.764713 17.21620 
1 1 1  -19   19    4 o   82.182   9.6306   52.753   9.3302   39.887   16.336   58.981   11.366   72.253   16.973   92.112   9.1060 -19.85932 19.26126 
1 1 1  -19   19    5 o   98.536   8.3104   72.201   10.139   58.458   17.352   79.325   12.493   90.099   14.212  106.973   8.6180 -16.87324 16.62086 
1 1 1  -19   19    6 o  102.831   7.9368   74.983   10.246   72.867   18.119   75.978   12.424  101.003   13.238  104.660   8.7599 -3.656471 15.87353 
1 1 1  -19   19    7 o   92.156   6.3805   58.278   7.8786   47.259   10.583   71.975   11.800   82.384   9.4796  101.928   8.5429 -19.54378 12.76108 
1 1 1  -19   19    8 o  123.930   5.9076  101.541   8.9718   95.614   10.496  117.621   17.288  118.014   6.5630  129.846   9.8248 -11.83210 11.81528 
1 1 1  -19   19    9 o  210.031   5.6778  301.105   14.281  296.940   16.632  312.794   27.862  208.238   5.8938  211.823   9.7063 -3.585907 11.35560 
1 1 1  -19   19   10 o  210.787   5.6700  304.840   14.309  302.410   16.686  311.592   27.816  210.160   5.8591  211.414   9.7092 -1.254364 11.34007 
1 1 1  -19   19   11 o  117.738   6.0028   90.839   8.7527   83.955   10.283  108.948   16.677  110.517   6.8659  124.958   9.8485 -14.44119 12.00560 
1 1 1  -19   19   12 o   86.648   7.3883   51.726   8.6754   51.726   8.6754   0.0000   0.0000   86.648   7.3883  ?   ?       ?      ? 
1 1 1  -19   19   13 o  114.690   6.3853   90.249   9.9241   90.249   9.9241   0.0000   0.0000  114.690   6.3853  ?   ?       ?      ? 
1 1 1  -19   19   14 o   90.519   6.7084   54.203   7.4751   50.519   8.7583   64.085   14.344   85.592   7.5510   95.445   11.090 -9.853134 13.41673 
1 1 1  -19   19   15 o   85.967   7.0915   52.366   7.3695   53.312   8.7083   49.979   13.833   87.970   7.3049   83.964   12.157 4.006584 14.18293 
1 1 1  -19   19   16 o   52.396   9.9899   20.282   7.1245   19.793   9.0914   21.061   11.469   51.711   12.990   53.080   15.180 -1.368877 19.97971 
1 1 1  -19   19   17 o   47.558   10.853   16.216   8.1308   11.773   11.754   20.293   11.260   42.960   15.613   52.155   15.078 -9.194851 21.70544 
1 1 1  -19   19   18 f   33.874   9.5011   4.3178   6.0698   2.6285   7.2735   8.1930   11.016   28.885   11.778   38.863   14.911 -9.977453 19.00211 
1 1 1  -19   19   19 o   96.692   6.6387   64.415   7.9723   63.286   9.5032   67.096   14.648   95.810   7.3194   97.574   11.078 -1.764221 13.27734 
1 1 1  -19   19   20 o  104.599   6.3082   77.116   8.2129   78.827   9.9069   73.355   14.686  107.036   6.8300  102.162   10.608 4.874184 12.61644 
1 1 1  -19   19   21 o   47.848   9.3069   17.907   6.3676   21.664   7.8462   10.659   10.898   54.561   10.992   41.136   15.022 13.42426 18.61377 
1 1 1  -19   19   22 o   30.126   8.7160  -0.0247   5.7406  -4.7410   7.1564   8.4865   9.6138   22.459   10.312   37.793   14.055 -15.33439 17.43192 
1 1 1  -19   19   23 o   51.038   9.4078   18.642   6.3525   16.557   7.8746   22.529   10.749   47.340   12.199   54.736   14.325 -7.395992 18.81562 
1 1 1  -19   19   24 o   42.880   10.232   12.801   7.0587   11.538   9.7815   14.173   10.196   41.246   14.318   44.514   14.620 -3.267895 20.46326 
1 1 1  -19   19   25 o   42.489   10.286   12.509   7.1396   13.419   9.7719   11.468   10.457   43.415   14.315   41.563   14.773 1.851471 20.57119 
1 1 1  -19   19   26 o   46.571   9.8516   15.264   6.5131   12.780   8.1348   19.701   10.871   41.976   12.981   51.165   14.823 -9.188927 19.70313 
1 1 1  -19   19   27 f   43.836   9.4777   14.583   6.5718   19.324   8.1737   5.9153   11.053   51.071   12.012   36.601   14.664 14.47025 18.95531 
1 1 1  -19   19   28 o   75.396   8.3481   43.401   7.5917   48.173   9.4118   34.515   12.844   83.199   8.3477   67.592   14.459 15.60692 16.69612 
1 1 1  -19   19   29 o   61.105   9.0902   28.330   7.1111   30.577   8.8687   24.285   11.900   65.894   9.9320   56.316   15.228 9.577164 18.18032 
1 1 1  -19   19   30 o   57.416   9.0143   26.517   6.9314   33.384   8.7934   15.250   11.264   68.954   9.4106   45.878   15.378 23.07563 18.02857 
1 1 1  -19   19   31 o   86.966   8.1860   52.690   9.6472   52.690   9.6472   0.0000   0.0000   86.966   8.1860  ?   ?       ?      ? 
1 1 1  -19   19   32 o   51.505   12.244   19.835   8.4203   19.835   8.4203   0.0000   0.0000   51.505   12.244  ?   ?       ?      ? 
1 1 1  -19   19   33 o   44.171   9.2482   15.064   6.5533   21.207   8.2589   4.6219   10.768   53.402   11.733   34.940   14.299 18.46180 18.49648 
1 1 1  -19   19   34 o   40.759   9.3910   9.0216   6.3593   1.9601   8.0037   21.113   10.473   29.041   12.146   52.476   14.326 -23.43512 18.78210 
1 1 1  -19   19   35 o   50.548   9.5342   20.170   6.6341   22.769   8.2446   15.396   11.173   55.421   11.359   45.675   15.316 9.745815 19.06833 
1 1 1  -19   19   36 o   86.060   6.9125   48.777   7.6004   42.037   9.1011   64.310   13.817   77.350   8.6827   94.771   10.758 -17.42110 13.82505 
1 1 1  -19   19   37 o   41.930   9.9901   12.248   6.4885   10.731   8.0473   15.067   10.969   38.771   12.998   45.089   15.175 -6.317982 19.98022 
1 1 1  -19   19   38 o   69.430   8.3435   34.253   7.2902   31.613   8.9067   39.612   12.690   66.629   9.8644   72.232   13.459 -5.603004 16.68708 
1 1 1  -19   19   39 o   83.030   7.3730   50.086   7.7939   51.497   9.6209   47.392   13.294   85.601   8.2938   80.459   12.193 5.141899 14.74603 
1 1 1  -19   19   40 f   41.425   10.166   10.967   7.2274   5.1094   9.5274   18.908   11.092   33.624   13.564   49.226   15.147 -15.60137 20.33278 
1 1 1  -19   19   41 o   27.739   8.7488  -2.0942   6.6650  -1.9720   9.1169  -2.2345   9.7681   27.343   12.179   28.135   12.564 -0.7917194 17.49769 
1 1 1  -19   19   42 o   36.469   10.312   5.9848   8.1566  -2.1152   12.645   11.757   10.674   31.952   14.279   40.985   14.882 -9.032740 20.62418 
1 1 1  -19   19   43 o   59.567   9.7058   27.209   7.6365   23.519   10.100   32.135   11.669   54.878   13.640   64.257   13.812 -9.378929 19.41167 
1 1 1  -19   19   44 o   61.321   9.4546   28.425   7.6055   22.681   9.9753   36.399   11.754   53.796   13.659   68.845   13.077 -15.04972 18.90928 
1 1 1  -19   19   45 o   56.056   9.6219   23.733   7.3212   16.645   9.5963   33.603   11.325   46.139   14.070   65.973   13.129 -19.83343 19.24378 
1 1 1  -19   19   46 o   48.612   10.154   19.142   7.3672   23.102   9.6412   13.584   11.421   54.350   13.218   42.873   15.418 11.47635 20.30828 
1 1 1  -19   19   47 f   38.477   10.385   9.4359   7.3960   8.2179   9.5039   11.306   11.777   36.220   13.861   40.735   15.468 -4.514702 20.77012 
1 1 1  -19   19   48 o   22.568   10.692  -8.6883   8.7317  -8.6883   8.7317   0.0000   0.0000   22.568   10.692  ?   ?       ?      ? 
1 1 1  -19   19   49 o   70.518   9.3207   39.664   8.4028   44.877   10.939   32.161   13.124   78.452   10.290   62.584   15.544 15.86781 18.64145 
1 1 1  -19   19   50 o   87.570   7.9064   55.653   9.1657   51.798   11.626   61.985   14.900   84.274   10.180   90.867   12.100 -6.592873 15.81284 
1 1 1  -19   19   51 f   56.027   10.729   26.331   8.4131   29.368   11.016   22.080   13.033   60.718   13.712   51.336   16.506 9.382832 21.45823 
1 1 1  -19   19   52 o   35.930   15.461   3.9094   13.607   3.9094   13.607   0.0000   0.0000   35.930   15.461  ?   ?       ?      ? 
1 1 1  -19   19   54 o   49.254   12.065   20.512   10.048   15.258   14.714   25.102   13.754   44.661   17.209   53.848   16.917 -9.186615 24.13096 
1 1 1  -19   19   55 o   71.007   11.319   42.739   10.584   41.306   15.906   43.878   14.180   68.851   17.120   73.163   14.810 -4.312485 22.63706 
1 1 1  -19   19   56 o   40.078   15.608   11.373   12.204   0.0000   0.0000   11.373   12.204  ?   ?    40.078   15.608      ?      ? 
1 1 1  -19   19   57 o   42.496   15.813   14.236   12.173   0.0000   0.0000   14.236   12.173  ?   ?    42.496   15.813      ?      ? 
1 1 1  -19   19   58 o   30.826   13.693   0.2211   11.445   0.0000   0.0000   0.2211   11.445  ?   ?    30.826   13.693      ?      ? 
1 1 1  -19   19   59 o   25.096   11.868  -8.4826   10.664   0.0000   0.0000  -8.4826   10.664  ?   ?    25.096   11.868      ?      ? 
1 1 1  -19   19   60 o   51.535   16.496   24.093   13.029   0.0000   0.0000   24.093   13.029  ?   ?    51.535   16.496      ?      ? 
1 1 1  -19   20    1 o   49.447   14.459   18.690   10.301   0.0000   0.0000   18.690   10.301  ?   ?    49.447   14.459      ?      ? 
1 1 1  -19   20    2 o   62.426   9.2611   29.457   7.5925   25.174   10.695   33.809   10.780   57.378   13.901   67.474   12.241 -10.09562 18.52228 
1 1 1  -19   20    3 o   63.091   8.7886   29.442   7.3454   36.116   10.559   23.184   10.225   71.061   10.965   55.122   13.737 15.93927 17.57710 
1 1 1  -19   20    4 o   77.940   7.5893   43.176   7.9980   45.721   11.802   41.014   10.877   80.000   10.886   75.879   10.578 4.121132 15.17869 
1 1 1  -19   20    5 o   38.833   9.9795   9.7519   6.8182   11.522   9.7362   8.0484   9.5513   40.797   14.277   36.870   13.947 3.926994 19.95901 
1 1 1  -19   20    6 o   39.362   9.6582   9.8625   6.8116   2.4760   9.9834   16.296   9.3170   32.207   13.524   46.516   13.792 -14.30920 19.31648 
1 1 1  -19   20    7 o   70.461   9.7283   37.232   9.0134   38.405   11.993   35.710   13.663   72.899   12.141   68.022   15.204 4.876793 19.45661 
1 1 1  -19   20    8 o   91.964   8.2571   59.065   10.290   59.065   10.290   0.0000   0.0000   91.964   8.2571  ?   ?       ?      ? 
1 1 1  -19   20    9 o   87.766   8.5328   53.903   10.149   53.903   10.149   0.0000   0.0000   87.766   8.5328  ?   ?       ?      ? 
1 1 1  -19   20   10 o   85.171   7.5801   51.953   8.1523   52.474   9.9322   50.877   14.272   86.619   8.4616   83.724   12.579 2.894920 15.16023 
1 1 1  -19   20   11 o   97.338   7.9540   68.673   10.338   78.273   14.269   58.069   14.997  105.131   10.016   89.545   12.359 15.58547 15.90796 
1 1 1  -19   20   12 o   56.883   10.805   24.507   8.5904   18.718   11.501   31.812   12.920   49.597   15.451   64.170   15.107 -14.57277 21.60947 
1 1 1  -19   20   13 o   38.023   9.8786   8.7074   6.4349   7.1362   7.9713   11.647   10.903   34.418   12.798   41.628   15.052 -7.210056 19.75723 
1 1 1  -19   20   14 o   51.910   10.046   18.498   7.1596   12.742   8.8222   29.601   12.253   41.847   13.592   61.974   14.795 -20.12697 20.09104 
1 1 1  -19   20   15 o   70.108   8.9347   37.101   7.8545   39.269   9.8402   33.294   13.039   74.523   9.7438   65.693   14.979 8.830597 17.86943 
1 1 1  -19   20   16 o   50.178   10.260   18.491   7.1742   15.991   8.9957   22.858   11.892   46.076   13.523   54.279   15.435 -8.202801 20.52065 
1 1 1  -19   20   17 o   67.918   9.1189   33.661   7.8918   30.712   9.9595   38.637   12.937   64.411   11.847   71.425   13.866 -7.013680 18.23784 
1 1 1  -19   20   18 o   39.868   10.235   10.575   7.0372   11.422   8.8524   9.1200   11.600   40.155   13.631   39.581   15.271 0.5737610 20.47024 
1 1 1  -19   20   19 o   27.479   8.6203  -1.7662   6.3313   0.0908   8.0480  -4.7817   10.256   27.448   11.850   27.509   12.522 -0.6110191E-01 17.24051 
1 1 1  -19   20   20 f   30.052   9.0450  -0.3495   6.5073  -4.6372   8.4185   6.0151   10.257   24.630   11.263   35.475   14.156 -10.84490 18.09002 
1 1 1  -19   20   21 o   54.418   11.402   22.125   9.0504   30.792   14.172   16.157   11.761   62.235   16.527   46.600   15.712 15.63445 22.80371 
1 1 1  -19   20   22 o   70.436   8.7560   36.067   7.9912   33.975   10.194   39.402   12.871   68.800   10.934   72.071   13.679 -3.270981 17.51194 
1 1 1  -19   20   23 o   43.125   10.281   13.619   7.0260   14.374   8.8462   12.328   11.563   43.781   13.536   42.469   15.478 1.311367 20.56246 
1 1 1  -19   20   24 o   30.469   9.1843   1.4674   6.6475   3.1044   8.5883  -0.9790   10.499   30.778   12.703   30.161   13.268 0.6176586 18.36867 
1 1 1  -19   20   25 o   40.045   8.9088   9.8555   6.8847   21.316   8.9742  -6.5371   10.733   52.950   12.675   27.139   12.522 25.81139 17.81760 
1 1 1  -19   20   26 f   40.194   10.175   11.041   6.9163   10.541   8.8982   11.803   10.993   38.900   13.647   41.488   15.096 -2.588074 20.35035 
1 1 1  -19   20   27 o   47.098   10.440   17.488   7.5094   20.315   9.2787   12.119   12.785   51.421   13.237   42.775   16.147 8.646618 20.87911 
1 1 1  -19   20   28 o   24.316   11.171  -4.9437   8.4119  -4.9437   8.4119   0.0000   0.0000   24.316   11.171  ?   ?       ?      ? 
1 1 1  -19   20   29 f   41.514   10.326   12.238   7.1030   11.776   9.1572   12.936   11.254   40.389   13.863   42.638   15.308 -2.248753 20.65213 
1 1 1  -19   20   30 o   77.302   7.9495   42.155   8.2044   35.186   10.606   52.541   12.947   69.577   11.248   85.028   11.236 -15.45074 15.89905 
1 1 1  -19   20   31 o   50.286   10.358   19.357   7.4311   16.320   9.6993   23.673   11.563   45.992   14.166   54.579   15.116 -8.587185 20.71637 
1 1 1  -19   20   32 f   49.848   10.189   19.832   7.3861   22.945   9.7218   15.581   11.359   54.402   13.299   45.293   15.441 9.109058 20.37863 
1 1 1  -19   20   33 o   53.368   10.187   22.947   7.5651   25.480   9.7675   19.149   11.960   57.545   12.850   49.191   15.811 8.353573 20.37441 
1 1 1  -19   20   34 o   46.186   9.9683   14.160   7.2685   5.7574   9.3102   27.273   11.631   33.800   13.487   58.573   14.682 -24.77276 19.93657 
1 1 1  -19   20   35 f   47.240   9.7550   15.389   7.1631   6.4127   9.3120   28.399   11.210   34.399   13.563   60.082   14.024 -25.68265 19.51000 
1 1 1  -19   20   36 o   57.382   9.7720   25.449   7.4167   23.022   9.6266   28.993   11.634   54.326   13.205   60.437   14.408 -6.111038 19.54404 
1 1 1  -19   20   37 o   41.513   9.9338   10.547   7.0667   3.1647   9.1132   21.681   11.191   31.111   12.982   51.914   15.039 -20.80392 19.86758 
1 1 1  -19   20   38 o   45.401   11.170   13.540   8.5652   25.293   14.013   6.5300   10.822   55.027   17.040   35.774   14.447 19.25288 22.34055 
1 1 1  -19   20   39 f   30.911   9.6210  -4.0307   7.8240   7.7926   12.902 -10.9072   9.8396   38.479   15.688   23.343   11.141 15.13581 19.24192 
1 1 1  -19   20   40 f   45.694   10.234   16.616   7.4069   21.244   9.8891   10.704   11.179   51.661   13.845   39.728   15.074 11.93300 20.46716 
1 1 1  -19   20   41 o   45.347   10.476   16.330   7.4204   17.529   9.8531   14.759   11.279   46.907   14.246   43.788   15.365 3.119358 20.95300 
1 1 1  -19   20   42 o   37.442   9.9862   9.0623   7.1711   13.085   9.5941   3.9694   10.795   41.438   14.190   33.446   14.055 7.992138 19.97241 
1 1 1  -19   20   43 o   43.651   10.411   14.985   7.3419   16.584   9.7882   12.928   11.101   45.611   14.261   41.690   15.170 3.920368 20.82136 
1 1 1  -19   20   44 o   29.097   12.680   0.5326   9.3902   0.5326   9.3902   0.0000   0.0000   29.097   12.680  ?   ?       ?      ? 
1 1 1  -19   20   45 o   40.486   16.563   9.6755   14.442   9.6755   14.442   0.0000   0.0000   40.486   16.563  ?   ?       ?      ? 
1 1 1  -19   20   46 o   78.585   10.441   49.476   10.723   50.266   16.613   48.911   14.040   77.405   16.350   79.765   12.989 -2.359627 20.88163 
1 1 1  -19   20   47 o   74.615   10.664   46.120   10.388   40.408   16.078   50.213   13.609   68.076   17.371   81.154   12.375 -13.07781 21.32836 
1 1 1  -19   20   48 o   57.358   11.699   28.819   9.6473   25.438   14.980   31.216   12.611   53.625   17.726   61.090   15.274 -7.465084 23.39868 
1 1 1  -19   20   49 o   59.158   11.822   29.495   9.7543   37.259   15.629   24.541   12.484   64.837   17.417   53.478   15.990 11.35889 23.64410 
1 1 1  -19   20   50 o   38.987   10.863   10.192   8.7289   2.9019   14.508   14.328   10.928   35.561   15.622   42.413   15.100 -6.851635 21.72656 
1 1 1  -19   20   51 o   51.451   11.812   23.426   9.3733   22.258   14.995   24.174   12.009   49.968   17.698   52.933   15.650 -2.964260 23.62490 
1 1 1  -19   20   52 o   60.689   11.626   34.105   10.204   24.020   16.063   40.928   13.212   51.066   18.293   70.311   14.352 -19.24559 23.25117 
1 1 1  -19   20   53 o   63.401   15.598   34.875   13.310   0.0000   0.0000   34.875   13.310  ?   ?    63.401   15.598      ?      ? 
1 1 1  -19   20   54 o   33.409   14.409   3.9983   11.872   0.0000   0.0000   3.9983   11.872  ?   ?    33.409   14.409      ?      ? 
1 1 1  -19   20   55 o   63.854   15.950   36.353   13.761   0.0000   0.0000   36.353   13.761  ?   ?    63.854   15.950      ?      ? 
1 1 1  -19   20   56 f   67.072   15.622   39.917   13.935   0.0000   0.0000   39.917   13.935  ?   ?    67.072   15.622      ?      ? 
1 1 1  -19   20   57 o   39.741   15.817   12.579   12.773   0.0000   0.0000   12.579   12.773  ?   ?    39.741   15.817      ?      ? 
1 1 1  -19   21    1 o   81.344   9.0433   49.754   9.4534   49.021   12.051   50.925   15.243   82.027   10.841   80.661   14.477 1.365997 18.08663 
1 1 1  -19   21    2 f   54.167   10.888   22.580   8.2025   18.592   10.362   29.275   13.424   48.522   14.581   59.812   16.174 -11.29044 21.77607 
1 1 1  -19   21    3 o   42.700   11.122   12.924   8.0398   13.481   9.4958   11.513   15.109   42.284   14.119   43.115   17.189 -0.8310318 22.24413 
1 1 1  -19   21    4 o   43.529   11.668   8.6792   8.2805   3.9934   9.3880   25.099   17.573   32.248   13.292   54.811   19.182 -22.56299 23.33672 
1 1 1  -19   21    5 o   61.307   10.222   26.762   8.3122   17.279   10.280   44.670   14.127   46.978   14.603   75.636   14.307 -28.65802 20.44376 
1 1 1  -19   21    6 o   55.013   9.8191   23.684   7.3646   27.838   10.655   19.883   10.191   59.824   13.467   50.203   14.293 9.620300 19.63827 
1 1 1  -19   21    7 o   36.885   10.424   6.2822   7.7837   2.8195   9.9524   11.736   12.491   31.943   13.463   41.827   15.919 -9.883308 20.84818 
1 1 1  -19   21    8 o   45.243   9.6937   16.590   6.4826   19.128   7.6665   10.225   12.143   50.220   11.511   40.266   15.600 9.954166 19.38731 
1 1 1  -19   21    9 o   39.247   10.120   9.9931   6.4517   8.8757   7.6077   12.855   12.175   35.791   12.614   42.703   15.829 -6.911533 20.24039 
1 1 1  -19   21   10 o   30.721   9.3130   1.1793   6.3048  -0.2150   7.4467   4.7088   11.848   25.960   11.303   35.482   14.804 -9.521935 18.62593 
1 1 1  -19   21   11 o   28.005   8.6203  -0.3493   6.2645   3.8783   7.4749 -10.3258   11.483   29.839   12.022   26.171   12.357 3.668365 17.24063 
1 1 1  -19   21   12 o   58.906   9.7338   24.965   7.1819   21.017   8.5865   34.159   13.103   52.348   12.311   65.463   15.081 -13.11479 19.46767 
1 1 1  -19   21   13 o   46.388   10.393   15.544   6.8496   13.325   8.1636   20.821   12.590   41.875   13.013   50.901   16.207 -9.026001 20.78501 
1 1 1  -19   21   14 o   42.761   9.8406   14.299   7.0161   18.954   8.6125   5.1153   12.098   49.509   12.757   36.013   14.987 13.49638 19.68128 
1 1 1  -19   21   15 o   32.814   9.5923   3.3814   6.5402   1.3802   7.9244   7.6567   11.583   28.049   11.926   37.578   15.027 -9.529840 19.18451 
1 1 1  -19   21   16 o   32.135   9.7488  -2.3691   7.9577   9.6897   12.450 -10.6991   10.347   39.958   15.706   24.313   11.554 15.64451 19.49762 
1 1 1  -19   21   17 o   57.837   11.178   28.134   9.4467   18.021   14.466   35.653   12.474   48.213   17.351   67.462   14.098 -19.24863 22.35639 
1 1 1  -19   21   18 o   59.506   9.8493   26.505   7.5974   22.248   9.4929   34.090   12.672   53.436   13.189   65.576   14.631 -12.14041 19.69855 
1 1 1  -19   21   19 o   74.100   8.9729   43.443   8.1201   47.808   10.103   35.479   13.647   81.837   9.1102   66.363   15.461 15.47354 17.94575 
1 1 1  -19   21   20 o   75.318   8.6103   41.962   8.2000   40.456   10.178   44.746   13.843   74.861   10.033   75.776   13.996 -0.9149475 17.22070 
1 1 1  -19   21   21 o   57.021   10.026   26.912   7.7371   30.907   9.7840   20.244   12.640   63.955   11.721   50.088   16.270 13.86672 20.05240 
1 1 1  -19   21   22 o   91.933   7.4894   61.307   8.9777   60.760   11.270   62.259   14.851   92.248   9.0155   91.618   11.962 0.6296539 14.97879 
1 1 1  -19   21   23 o   43.154   10.604   12.957   7.3752   9.6071   9.1717   19.086   12.406   37.519   13.768   48.789   16.132 -11.27015 21.20865 
1 1 1  -19   21   24 o   75.589   10.067   41.361   10.312   41.361   10.312   0.0000   0.0000   75.589   10.067  ?   ?       ?      ? 
1 1 1  -19   21   25 o   66.986   9.7850   36.755   8.2828   40.961   10.264   28.903   14.025   75.194   10.073   58.778   16.779 16.41637 19.57004 
1 1 1  -19   21   26 f   86.254   7.7788   53.074   8.7520   49.138   10.837   60.456   14.842   82.532   9.6893   89.977   12.172 -7.445656 15.55770 
1 1 1  -19   21   27 o   44.394   9.9095   15.669   7.2659   21.654   9.3218   6.4029   11.599   52.510   13.134   36.279   14.843 16.23079 19.81903 
1 1 1  -19   21   28 o   51.364   10.067   21.285   7.2361   22.474   9.4941   19.636   11.177   53.446   13.189   49.281   15.212 4.164616 20.13368 
1 1 1  -19   21   29 o   66.533   8.9664   33.660   7.6955   30.857   9.9963   37.739   12.057   63.486   12.060   69.580   13.271 -6.093979 17.93272 
1 1 1  -19   21   30 o   72.286   10.073   43.902   9.5699   24.024   14.092   60.917   13.038   53.354   17.164   91.218   10.547 -37.86383 20.14552 
1 1 1  -19   21   31 o   49.009   11.275   18.952   8.4878   24.143   13.418   15.490   10.959   53.577   16.689   44.441   15.167 9.135761 22.55079 
1 1 1  -19   21   32 o   44.906   10.886   16.072   8.2884   9.7747   13.224   20.147   10.637   39.993   16.034   49.818   14.729 -9.825420 21.77180 
1 1 1  -19   21   33 o   48.952   11.303   19.473   8.4683   20.793   13.678   18.653   10.784   49.956   16.944   47.947   14.965 2.009140 22.60690 
1 1 1  -19   21   34 o   53.301   11.591   24.345   9.2030   20.678   15.213   26.462   11.558   49.767   17.805   56.835   14.844 -7.067566 23.18146 
1 1 1  -19   21   35 o   38.930   14.934   10.276   11.049   0.0000   0.0000   10.276   11.049  ?   ?    38.930   14.934      ?      ? 
1 1 1  -19   21   36 f   31.599   9.8633   0.3145   8.1735  -0.4031   12.769   0.8126   10.639   32.411   14.426   30.786   13.454 1.624441 19.72670 
1 1 1  -19   21   37 o   55.003   11.534   25.374   9.1274   28.976   14.122   22.790   11.962   57.871   16.931   52.134   15.666 5.736530 23.06745 
1 1 1  -19   21   38 o   38.836   10.887   9.6439   8.4272   10.248   13.133   9.2211   10.987   39.934   15.990   37.739   14.778 2.195477 21.77313 
1 1 1  -19   21   39 o   43.147   11.175   13.611   8.5101   19.785   13.347   9.3805   11.047   48.441   16.730   37.853   14.820 10.58818 22.34955 
1 1 1  -19   21   40 o   32.678   9.8424   2.3441   8.0770  -6.4987   12.745   8.2801   10.442   28.989   13.469   36.367   14.355 -7.378038 19.68485 
1 1 1  -19   21   41 o   38.346   15.943   8.0746   13.673   8.0746   13.673   0.0000   0.0000   38.346   15.943  ?   ?       ?      ? 
1 1 1  -19   21   42 o   36.033   10.686   6.2662   8.7277   6.1873   13.402   6.3243   11.501   36.723   15.558   35.342   14.652 1.381474 21.37115 
1 1 1  -19   21   43 o   33.271   10.275   2.1986   8.5041   5.1113   13.858   0.4394   10.770   36.243   15.599   30.300   13.379 5.942348 20.55095 
1 1 1  -19   21   44 o   40.292   11.104   11.559   8.5162   14.514   13.912   9.7884   10.770   42.995   16.686   37.589   14.656 5.406288 22.20862 
1 1 1  -19   21   45 o   50.502   11.309   19.590   9.2563   36.607   14.806   8.6729   11.859   63.879   16.858   37.126   15.078 26.75347 22.61740 
1 1 1  -19   21   46 o   31.099   9.6690  -0.2251   8.4058 -11.3699   13.374   7.0529   10.807   27.245   12.999   34.953   14.317 -7.708399 19.33794 
1 1 1  -19   21   47 o   43.410   10.683   7.1033   8.9292   34.640   15.235  -7.3058   11.020   60.827   17.526   25.994   12.222 34.83355 21.36667 
1 1 1  -19   21   48 o   44.133   10.402   15.130   9.3230  -6.5222   14.832   29.272   11.987   30.474   14.281   57.792   15.129 -27.31796 20.80429 
1 1 1  -19   21   49 o   38.426   15.149   11.146   11.615   0.0000   0.0000   11.146   11.615  ?   ?    38.426   15.149      ?      ? 
1 1 1  -19   21   50 o   23.315   11.286 -12.9878   10.954   0.0000   0.0000 -12.9878   10.954  ?   ?    23.315   11.286      ?      ? 
1 1 1  -19   21   51 o   31.084   13.716   2.2302   11.299   0.0000   0.0000   2.2302   11.299  ?   ?    31.084   13.716      ?      ? 
1 1 1  -19   21   52 o   52.134   16.812   26.590   13.513   0.0000   0.0000   26.590   13.513  ?   ?    52.134   16.812      ?      ? 
1 1 1  -19   21   53 o   67.125   16.062   42.195   14.415   0.0000   0.0000   42.195   14.415  ?   ?    67.125   16.062      ?      ? 
1 1 1  -19   21   54 o   57.409   16.511   32.463   13.533   0.0000   0.0000   32.463   13.533  ?   ?    57.409   16.511      ?      ? 
1 1 1  -19   22    1 o   43.948   11.021   15.190   8.1753   15.936   10.547   14.067   12.939   44.644   14.880   43.253   16.262 1.390942 22.04190 
1 1 1  -19   22    2 o   42.869   10.758   11.897   8.1463   4.4780   10.484   23.202   12.941   33.365   13.924   52.372   16.402 -19.00676 21.51513 
1 1 1  -19   22    3 o   35.718   10.171   5.4124   7.6104   0.4770   9.8040   12.895   12.072   29.551   12.915   41.884   15.715 -12.33281 20.34121 
1 1 1  -19   22    4 o   41.719   10.466   13.030   7.8950   18.459   10.332   5.4132   12.239   47.687   14.610   35.751   14.991 11.93603 20.93298 
1 1 1  -19   22    5 o   50.884   11.135   21.000   8.5003   16.572   11.319   26.726   12.872   45.455   15.414   56.312   16.074 -10.85698 22.27076 
1 1 1  -19   22    6 o   54.877   9.6433   24.476   8.7622   41.120   11.850   4.4023   13.014   74.010   11.816   35.744   15.243 38.26587 19.28658 
1 1 1  -19   22    7 o   27.665   8.9756  -5.1697   7.5822  -7.9572   10.061  -1.5054   11.535   24.911   11.702   30.419   13.613 -5.508039 17.95130 
1 1 1  -19   22    8 o   51.813   11.368   22.573   8.8924   25.207   12.165   19.550   13.031   54.994   15.602   48.631   16.538 6.363682 22.73639 
1 1 1  -19   22    9 o   61.852   10.720   30.549   9.3150   18.112   12.407   46.615   14.101   47.161   16.138   76.542   14.115 -29.38088 21.43953 
1 1 1  -19   22   10 o   48.760   11.138   19.564   8.7898   25.723   11.960   12.330   12.961   55.699   15.352   41.822   16.141 13.87673 22.27592 
1 1 1  -19   22   11 o   37.322   10.147   6.0009   8.1578  -5.3652   11.529   17.397   11.544   28.261   13.018   46.383   15.568 -18.12200 20.29318 
1 1 1  -19   22   12 o   44.688   15.626   15.800   11.660   0.0000   0.0000   15.800   11.660  ?   ?    44.688   15.626      ?      ? 
1 1 1  -19   22   13 o   76.368   13.711   46.057   13.668   0.0000   0.0000   46.057   13.668  ?   ?    76.368   13.711      ?      ? 
1 1 1  -19   22   14 o   44.924   10.403   14.575   8.3048   2.7290   11.788   26.247   11.702   33.415   14.385   56.432   15.032 -23.01659 20.80588 
1 1 1  -19   22   15 f   41.441   10.808   12.497   8.1167   15.938   11.511   9.0935   11.446   44.782   15.533   38.099   15.033 6.682938 21.61587 
1 1 1  -19   22   16 o   25.736   8.4984  -7.9279   7.4103 -12.5111   10.465  -3.3185   10.495   23.474   11.280   27.998   12.715 -4.524061 16.99686 
1 1 1  -19   22   17 o   40.643   10.500   9.1540   8.4710  -2.1410   11.624   21.946   12.370   30.114   13.556   51.172   16.038 -21.05785 20.99932 
1 1 1  -19   22   18 o   62.990   10.979   33.001   9.3078   33.174   12.909   32.814   13.433   63.397   15.219   62.584   15.828 0.8134995 21.95790 
1 1 1  -19   22   19 o   48.210   16.137   19.239   12.403   19.239   12.403   0.0000   0.0000   48.210   16.137  ?   ?       ?      ? 
1 1 1  -19   22   20 o   58.537   15.823   28.841   12.851   28.841   12.851   0.0000   0.0000   58.537   15.823  ?   ?       ?      ? 
1 1 1  -19   22   21 o   66.460   10.800   36.474   9.6355   27.718   13.311   46.114   13.966   56.975   16.372   75.945   14.089 -18.97002 21.59959 
1 1 1  -19   22   22 o   50.172   11.443   21.115   8.9441   24.746   12.704   17.546   12.595   53.975   16.128   46.368   16.238 7.606716 22.88642 
1 1 1  -19   22   23 o   45.033   11.410   16.196   8.8296   17.387   12.863   15.135   12.142   46.195   16.389   43.872   15.881 2.322552 22.82079 
1 1 1  -19   22   24 o   46.464   11.129   17.734   8.6945   11.302   13.059   22.855   11.653   40.719   16.060   52.209   15.410 -11.48931 22.25731 
1 1 1  -19   22   25 o   45.410   10.993   16.788   8.6003   9.2618   13.203   22.335   11.335   39.127   15.902   51.693   15.182 -12.56568 21.98554 
1 1 1  -19   22   26 o   41.311   10.357   11.661   8.4167  -1.7773   12.828   21.819   11.153   31.515   14.209   51.108   15.073 -19.59272 20.71455 
1 1 1  -19   22   27 o   30.648   9.6362  -0.5943   7.9009   1.8879   12.370  -2.3047   10.268   33.166   14.501   28.130   12.695 5.036165 19.27242 
1 1 1  -19   22   28 o   59.691   11.232   30.884   9.2841   27.179   14.280   33.597   12.219   55.426   17.208   63.955   14.440 -8.528900 22.46456 
1 1 1  -19   22   29 o   34.841   10.059   4.7645   8.2965  -7.5480   13.312   12.584   10.609   29.104   13.604   40.578   14.820 -11.47332 20.11716 
1 1 1  -19   22   30 o   37.567   10.851   8.3028   8.8146   2.4156   15.019   11.396   10.887   35.714   15.783   39.419   14.895 -3.705021 21.70201 
1 1 1  -19   22   31 o   40.449   15.329   12.258   11.551   0.0000   0.0000   12.258   11.551  ?   ?    40.449   15.329      ?      ? 
1 1 1  -19   22   32 o   51.367   12.043   22.778   9.5318   26.961   15.633   20.303   12.026   54.129   18.116   48.605   15.874 5.523651 24.08663 
1 1 1  -19   22   33 o   53.448   11.658   25.935   9.5991   19.215   15.065   30.527   12.455   47.153   17.582   59.742   15.313 -12.58929 23.31582 
1 1 1  -19   22   34 o   59.594   11.339   32.223   9.5108   25.534   15.279   36.454   12.152   52.596   17.908   66.592   13.915 -13.99591 22.67889 
1 1 1  -19   22   35 o   46.225   11.537   18.639   9.1077   15.057   14.483   20.982   11.714   43.356   16.970   49.094   15.634 -5.737911 23.07367 
1 1 1  -19   22   36 o   37.826   10.420   9.3168   8.4678  -2.2307   13.800   16.291   10.724   31.686   14.463   43.966   15.003 -12.27998 20.83904 
1 1 1  -19   22   37 o   55.893   17.748   29.511   15.105   29.511   15.105   0.0000   0.0000   55.893   17.748  ?   ?       ?      ? 
1 1 1  -19   22   38 o   39.113   16.402   9.8158   14.655   9.8158   14.655   0.0000   0.0000   39.113   16.402  ?   ?       ?      ? 
1 1 1  -19   22   39 o   29.987   9.7012  -2.0623   8.5029  -2.2082   14.310  -1.9827   10.572   31.869   14.614   28.105   12.762 3.763649 19.40231 
1 1 1  -19   22   40 o   45.374   11.886   16.678   9.4356   27.021   15.971   11.132   11.695   52.285   18.287   38.463   15.189 13.82253 23.77197 
1 1 1  -19   22   41 o   55.462   11.510   23.822   10.131   51.280   16.961   8.5923   12.632   74.213   17.201   36.711   15.299 37.50163 23.02001 
1 1 1  -19   22   42 o   51.367   12.426   25.529   10.207   28.614   16.496   23.616   12.994   52.761   18.576   49.973   16.509 2.788033 24.85188 
1 1 1  -19   22   43 o   33.468   10.492   3.5072   9.2493   3.6144   15.009   3.4416   11.744   34.729   15.536   32.207   14.104 2.521023 20.98312 
1 1 1  -19   22   44 o   35.605   9.8166   2.9581   9.1753 -26.2922   14.874   20.925   11.658   23.894   11.872   47.316   15.637 -23.42125 19.63327 
1 1 1  -19   22   45 o   41.286   10.926   14.279   9.6005  -1.5974   15.339   24.504   12.310   32.076   14.859   50.496   16.021 -18.42075 21.85102 
1 1 1  -19   22   46 o   46.781   16.435   21.630   12.906   0.0000   0.0000   21.630   12.906  ?   ?    46.781   16.435      ?      ? 
1 1 1  -19   22   47 o   39.754   15.681   14.225   12.451   0.0000   0.0000   14.225   12.451  ?   ?    39.754   15.681      ?      ? 
1 1 1  -19   22   48 o   30.735   13.680   2.8271   11.481   0.0000   0.0000   2.8271   11.481  ?   ?    30.735   13.680      ?      ? 
1 1 1  -19   22   49 o   45.433   16.374   21.417   12.888   0.0000   0.0000   21.417   12.888  ?   ?    45.433   16.374      ?      ? 
1 1 1  -19   22   50 o   21.729   10.648 -14.2246   10.619   0.0000   0.0000 -14.2246   10.619  ?   ?    21.729   10.648      ?      ? 
1 1 1  -19   23    4 o   40.267   10.813   10.116   8.5557   1.9238   11.235   21.427   13.201   31.543   13.804   48.991   16.646 -17.44785 21.62537 
1 1 1  -19   23    5 o   39.589   10.749   11.730   8.2198   14.518   11.125   8.3794   12.198   42.142   15.209   37.037   15.195 5.104752 21.49890 
1 1 1  -19   23    6 o   47.149   9.5564   12.842   8.9152 -10.8047   12.339   38.666   12.895   26.282   12.525   68.016   14.437 -41.73414 19.11289 
1 1 1  -19   23    7 o   56.280   16.382   28.296   13.250   0.0000   0.0000   28.296   13.250  ?   ?    56.280   16.382      ?      ? 
1 1 1  -19   23    8 o   32.587   14.197   2.6587   11.761   0.0000   0.0000   2.6587   11.761  ?   ?    32.587   14.197      ?      ? 
1 1 1  -19   23    9 o   56.613   11.168   28.180   8.9753   24.157   12.728   32.158   12.658   52.123   16.257   61.103   15.316 -8.979893 22.33576 
1 1 1  -19   23   10 o   41.175   10.896   13.071   8.2582   16.922   12.106   9.7192   11.294   44.696   15.895   37.655   14.908 7.040222 21.79230 
1 1 1  -19   23   11 o   43.320   11.108   15.266   8.4525   19.024   12.417   12.020   11.539   46.798   16.138   39.842   15.267 6.955650 22.21517 
1 1 1  -19   23   12 o   70.330   10.268   41.498   9.4527   38.148   13.638   44.596   13.114   66.658   15.406   74.002   13.577 -7.344139 20.53527 
1 1 1  -19   23   13 o   66.097   10.810   37.335   9.4871   40.088   13.781   34.855   13.080   68.545   15.232   63.649   15.344 4.895206 21.62050 
1 1 1  -19   23   14 f   42.490   11.014   13.864   8.6096   21.213   12.574   7.3777   11.813   48.982   16.243   35.998   14.881 12.98447 22.02857 
1 1 1  -19   23   15 o   42.674   15.945   14.883   12.403   14.883   12.403   0.0000   0.0000   42.674   15.945  ?   ?       ?      ? 
1 1 1  -19   23   16 o   43.462   16.104   15.731   12.599   15.731   12.599   0.0000   0.0000   43.462   16.104  ?   ?       ?      ? 
1 1 1  -19   23   17 o   32.322   9.5968   2.8134   7.7406  -7.4001   11.923   10.255   10.177   27.164   12.753   37.480   14.344 -10.31534 19.19356 
1 1 1  -19   23   18 o   29.895   9.4547  -0.3342   7.7919   0.2676   11.819  -0.7969   10.363   31.028   13.840   28.763   12.885 2.265495 18.90947 
1 1 1  -19   23   19 o   59.205   11.036   31.076   9.0695   26.630   13.261   34.983   12.432   54.181   16.544   64.230   14.612 -10.04844 22.07263 
1 1 1  -19   23   20 o   57.974   11.494   30.652   9.4415   27.241   14.758   33.015   12.284   53.842   17.585   62.106   14.805 -8.264175 22.98722 
1 1 1  -19   23   21 o   32.203   9.9989   2.4717   8.1753   0.5617   13.799   3.5047   10.148   32.978   14.814   31.429   13.433 1.549200 19.99784 
1 1 1  -19   23   22 o   35.189   10.307   1.2743   8.1107   18.698   14.209  -7.1463   9.8780   45.869   17.081   24.509   11.539 21.36026 20.61305 
1 1 1  -19   23   23 o   49.356   11.344   22.624   9.3002   13.340   14.912   28.535   11.898   41.610   16.904   57.101   15.132 -15.49086 22.68796 
1 1 1  -19   23   24 o   47.672   11.765   19.868   9.1650   25.603   14.791   16.294   11.677   51.835   17.620   43.508   15.596 8.326534 23.53063 
1 1 1  -19   23   25 o   31.283   9.9104   0.7394   8.4538  -2.0348   14.316   2.2246   10.475   31.912   14.628   30.655   13.375 1.257362 19.82079 
1 1 1  -19   23   26 o   33.428   14.183   5.2846   11.164   0.0000   0.0000   5.2846   11.164  ?   ?    33.428   14.183      ?      ? 
1 1 1  -19   23   27 o   34.337   14.124   7.0837   10.573   0.0000   0.0000   7.0837   10.573  ?   ?    34.337   14.124      ?      ? 
1 1 1  -19   23   28 o   42.659   10.831   15.840   8.9001   3.3831   14.927   22.711   11.086   34.907   15.563   50.412   15.067 -15.50486 21.66176 
1 1 1  -19   23   29 o   41.691   11.251   14.901   8.7410   13.174   14.774   15.831   10.842   40.784   16.726   42.597   15.054 -1.813351 22.50281 
1 1 1  -19   23   30 o   38.501   10.988   11.224   8.6073   10.795   14.756   11.445   10.597   39.002   16.413   38.000   14.614 1.001648 21.97637 
1 1 1  -19   23   31 o   39.620   11.125   12.779   8.8039   11.144   14.808   13.673   10.949   39.105   16.448   40.134   14.984 -1.028992 22.25041 
1 1 1  -19   23   32 o   30.488   9.6644   0.9483   8.2265  -5.2466   14.180   4.0914   10.100   29.792   13.962   31.184   13.367 -1.392073 19.32886 
1 1 1  -19   23   33 o   34.390   15.365   3.9059   14.633   3.9059   14.633   0.0000   0.0000   34.390   15.365  ?   ?       ?      ? 
1 1 1  -19   23   34 o   49.981   18.017   26.149   15.605   26.149   15.605   0.0000   0.0000   49.981   18.017  ?   ?       ?      ? 
1 1 1  -19   23   35 o   46.901   10.928   13.186   9.4089   43.235   15.943  -2.8740   11.655   65.678   17.569   28.123   13.002 37.55561 21.85688 
1 1 1  -19   23   36 o   29.900   9.6774  -0.6669   8.7994  -6.5153   14.718   2.5865   10.977   29.319   13.888   30.481   13.481 -1.162525 19.35480 
1 1 1  -19   23   37 o   27.909   9.2850  -4.7295   8.5079  -2.5437   14.531  -5.8698   10.495   30.630   14.282   25.187   11.869 5.442406 18.56993 
1 1 1  -19   23   38 o   35.217   10.668   8.3693   8.7875   8.0345   15.263   8.5353   10.748   36.060   15.925   34.374   14.200 1.685917 21.33631 
1 1 1  -19   23   39 o   41.527   11.606   14.366   9.2280   27.415   16.256   8.1621   11.209   48.939   18.261   34.115   14.328 14.82389 23.21108 
1 1 1  -19   23   40 o   27.209   9.1739  -6.1986   8.7965  -5.9823   15.377  -6.3038   10.725   29.449   14.020   24.969   11.835 4.479645 18.34771 
1 1 1  -19   23   41 o   27.828   9.3120  -4.3586   8.8955  -5.0797   15.227  -3.9850   10.960   29.480   14.011   26.177   12.270 3.303007 18.62398 
1 1 1  -19   24   12 o   32.911   10.085   5.3241   8.1796   5.5518   12.968   5.1737   10.541   33.864   14.825   31.959   13.676 1.904491 20.16998 
1 1 1  -19   24   13 o   22.313   7.7083 -13.5720   7.4207 -14.5117   12.019 -12.9930   9.4335   23.726   11.562   20.900   10.198 2.825417 15.41668 
1 1 1  -19   24   14 f   27.953   9.1288  -2.4452   7.8466  -0.9285   12.721  -3.3767   9.9689   30.009   13.768   25.897   11.991 4.111971 18.25752 
1 1 1  -19   24   15 o   36.280   10.211   9.1527   8.4160  -2.6673   13.199   17.250   10.925   29.568   13.728   42.993   15.119 -13.42495 20.42197 
1 1 1  -19   24   16 o   27.423   8.8243  -3.9466   7.8833 -18.3743   12.605   5.3210   10.103   23.187   11.410   31.659   13.464 -8.471739 17.64864 
1 1 1  -19   24   17 o   26.662   8.8338  -6.5198   7.7135   2.4575   12.576 -11.9343   9.7665   31.610   14.175   21.715   10.546 9.895405 17.66754 
1 1 1  -19   24   18 o   33.959   10.149   3.5869   8.1753   17.251   13.398  -4.5181   10.319   42.282   16.385   25.635   11.981 16.64633 20.29781 
1 1 1  -19   24   19 o   41.020   11.151   13.750   8.6976   24.642   14.236   7.2620   10.987   48.432   17.235   33.608   14.154 14.82390 22.30176 
1 1 1  -19   24   20 o   39.766   10.855   14.383   8.7392   7.2375   13.916   19.036   11.230   35.071   15.356   44.462   15.346 -9.391460 21.70960 
1 1 1  -19   24   21 o   27.266   8.9970  -4.1358   8.2919 -12.2681   13.741   0.5210   10.398   26.127   12.646   28.405   12.801 -2.277967 17.99393 
1 1 1  -19   24   22 o   49.283   15.887   24.222   12.068   0.0000   0.0000   24.222   12.068  ?   ?    49.283   15.887      ?      ? 
1 1 1  -19   24   23 o   36.660   14.635   11.338   10.968   0.0000   0.0000   11.338   10.968  ?   ?    36.660   14.635      ?      ? 
1 1 1  -19   24   24 o   28.021   9.2608  -4.3450   8.2115   3.5866   13.873  -8.6222   10.188   32.654   14.744   23.389   11.210 9.264853 18.52152 
1 1 1  -19   24   25 o   50.041   11.322   26.996   9.5237   16.426   15.360   33.599   12.139   40.699   16.908   59.383   15.062 -18.68439 22.64337 
1 1 1  -19   24   26 o   32.911   10.072   6.1837   8.5470  -1.7772   14.473   10.446   10.591   30.335   14.181   35.487   14.306 -5.152124 20.14338 
1 1 1  -19   24   27 o   29.765   9.6693   0.0670   8.3255   4.7874   14.550  -2.2310   10.152   33.312   15.065   26.218   12.126 7.093948 19.33862 
1 1 1  -18    0    2 o  1002.87   16.063  6827.27  218.173   0.0000   0.0000  6827.27  218.173  1002.87   16.063  1002.87   16.063 -0.000000 0.000000 
1 1 1  -18    0    4 o  130.568   6.0347  116.268   10.626   0.0000   0.0000  116.268   10.626  130.568   6.0347  130.568   6.0347 -0.000000 0.000000 
1 1 1  -18    0    5 o  270.157   6.3825  495.717   23.292  475.319   32.297  517.826   33.623  264.352   9.0396  275.962   9.0127 -0.000000 0.000000 
1 1 1  -18    0    6 o  755.176   12.487  3873.65  127.593  3793.76  178.012  3958.07  182.979  747.165   17.603  763.186   17.714 -0.000000 0.000000 
1 1 1  -18    0    7 o  605.562   10.417  2485.13   85.263  2626.89  124.361  2359.39  117.125  621.841   14.777  589.284   14.688 -0.000000 0.000000 
1 1 1  -18    0    8 o  1153.81   18.325  9040.94  285.877  8672.31  393.067  9454.90  416.536  1128.90   25.724  1178.73   26.106 -0.000000 0.000000 
1 1 1  -18    0    9 o  280.464   6.5534  533.893   24.813  573.279   35.902  497.879   34.332  290.393   9.1439  270.535   9.3903 -0.000000 0.000000 
1 1 1  -18    0   10 o  1152.59   18.302  9039.64  285.528  8979.49  402.028  9100.86  405.589  1148.72   25.856  1156.46   25.910 -0.000000 0.000000 
1 1 1  -18    0   11 o  609.211   10.478  2517.45   86.319  2626.88  125.179  2418.25  119.189  621.829   14.874  596.594   14.763 -0.000000 0.000000 
1 1 1  -18    0   12 o  755.373   12.509  3877.43  127.883  3856.85  180.269  3898.28  181.445  753.353   17.680  757.392   17.700 -0.000000 0.000000 
1 1 1  -18    0   13 o  269.089   6.4754  492.490   23.551  490.115   33.257  494.878   33.354  268.435   9.1666  269.743   9.1486 -0.000000 0.000000 
1 1 1  -18    0   14 o  129.390   6.1985  114.959   10.750  111.146   15.009  118.976   15.405  127.149   8.8077  131.630   8.7242 -0.000000 0.000000 
1 1 1  -18    0   15 o  304.618   6.8223  630.293   28.083  603.114   39.105  659.237   40.355  297.815   9.7128  311.420   9.5830 -0.000000 0.000000 
1 1 1  -18    0   16 o  1036.77   16.600  7311.07  232.960  7294.10  329.099  7328.12  329.813  1035.56   23.479  1037.98   23.475 -0.000000 0.000000 
1 1 1  -18    0   17 o  233.789   6.3011  372.076   19.897  371.827   28.219  372.322   28.058  233.707   8.9399  233.870   8.8821 -0.000000 0.000000 
1 1 1  -18    0   18 o  744.223   17.497  3763.87  176.239   0.0000   0.0000  3763.87  176.239  744.223   17.497  744.223   17.497 -0.000000 0.000000 
1 1 1  -18    0   19 o  817.705   18.975  4544.68  210.006   0.0000   0.0000  4544.68  210.006  817.705   18.975  817.705   18.975 -0.000000 0.000000 
1 1 1  -18    0   20 o  370.919   7.5587  934.160   37.904  898.184   52.769  972.508   54.481  363.525   10.733  378.313   10.646 -0.000000 0.000000 
1 1 1  -18    0   21 o  1130.80   18.009  8701.28  275.644  8703.48  390.061  8699.08  389.579  1130.94   25.481  1130.66   25.455 -0.000000 0.000000 
1 1 1  -18    0   22 o  565.165   9.9633  2169.44   76.186  2206.68  108.996  2133.87  106.531  569.910   14.133  560.421   14.047 -0.000000 0.000000 
1 1 1  -18    0   24 o  571.096   14.225  2215.99  109.934  2215.99  109.934   0.0000   0.0000  571.096   14.225  571.096   14.225 -0.000000 0.000000 
1 1 1  -18    0   25 o  300.080   6.9139  612.206   28.044  624.881   39.979  599.929   39.350  303.149   9.7547  297.010   9.8007 -0.000000 0.000000 
1 1 1  -18    0   26 o  923.090   21.186  5794.72  264.703  5794.72  264.703   0.0000   0.0000  923.090   21.186  923.090   21.186 -0.000000 0.000000 
1 1 1  -18    0   27 o  891.985   20.559  5410.51  248.207  5410.51  248.207   0.0000   0.0000  891.985   20.559  891.985   20.559 -0.000000 0.000000 
1 1 1  -18    0   28 o  1130.34   18.031  8697.91  275.862  8644.32  388.642  8752.32  391.631  1126.83   25.481  1133.85   25.517 -0.000000 0.000000 
1 1 1  -18    0   29 f  285.757   6.8495  555.298   26.441  531.109   37.071  580.346   37.724  279.387   9.8190  292.127   9.5526 -0.000000 0.000000 
1 1 1  -18    0   30 o  450.328   8.5562  1375.80   52.084  1437.76   75.578  1319.75   71.877  459.984   12.144  440.671   12.057 -0.000000 0.000000 
1 1 1  -18    0   31 o  576.166   10.147  2254.91   79.088  2302.74  113.566  2209.86  110.205  582.098   14.417  570.233   14.282 -0.000000 0.000000 
1 1 1  -18    0   32 o  253.835   6.6769  438.583   22.882  439.332   32.925  437.884   31.824  254.026   9.5956  253.644   9.2870 -0.000000 0.000000 
1 1 1  -18    0   33 o  1327.83   21.020 12028.35  377.804 11974.42  533.006 12082.80  535.594  1324.83   29.722  1330.82   29.732 -0.000000 0.000000 
1 1 1  -18    0   34 o  386.896   7.8854  1016.26   41.235  1051.82   59.735  983.891   56.992  393.361   11.227  380.432   11.076 -0.000000 0.000000 
1 1 1  -18    0   35 o  364.146   7.6320  901.613   37.581  883.347   53.127  919.906   53.168  360.432   10.900  367.859   10.686 -0.000000 0.000000 
1 1 1  -18    0   36 o  273.360   6.8402  508.775   25.255  495.074   35.903  522.193   35.531  269.679   9.8541  277.040   9.4895 -0.000000 0.000000 
1 1 1  -18    0   37 o  371.050   7.7274  935.937   38.770  942.628   55.488  929.555   54.194  372.338   11.019  369.761   10.837 -0.000000 0.000000 
1 1 1  -18    0   38 o  341.599   7.4423  793.589   34.371  792.213   49.070  794.915   48.157  341.294   10.633  341.903   10.416 -0.000000 0.000000 
1 1 1  -18    0   39 o  565.092   14.140  2171.21  108.127   0.0000   0.0000  2171.21  108.127  565.092   14.140  565.092   14.140 -0.000000 0.000000 
1 1 1  -18    0   40 o  238.065   9.3247  386.061   29.978   0.0000   0.0000  386.061   29.978  238.065   9.3247  238.065   9.3247 -0.000000 0.000000 
1 1 1  -18    0   41 o  265.249   6.8677  479.084   24.597  477.753   35.342  480.335   34.255  264.868   9.8777  265.630   9.5442 -0.000000 0.000000 
1 1 1  -18    0   42 o  326.957   7.3471  727.510   32.468  715.682   46.257  738.995   45.583  324.309   10.551  329.606   10.228 -0.000000 0.000000 
1 1 1  -18    0   43 o  759.065   12.707  3923.50  130.531  3958.72  186.192  3889.45  183.046  762.404   18.044  755.726   17.896 -0.000000 0.000000 
1 1 1  -18    0   44 o  399.114   8.0738  1083.31   43.572  1093.09   62.556  1074.10   60.723  400.850   11.538  397.378   11.297 -0.000000 0.000000 
1 1 1  -18    0   45 o  387.830   7.9602  1021.97   41.724  1057.13   60.481  990.052   57.634  394.190   11.343  381.471   11.171 -0.000000 0.000000 
1 1 1  -18    0   46 o  233.656   9.7167  372.298   30.646  372.298   30.646   0.0000   0.0000  233.656   9.7167  233.656   9.7167 -0.000000 0.000000 
1 1 1  -18    0   47 o  142.388   6.9455  139.544   13.229  138.959   19.287  140.064   18.180  142.030   10.139  142.746   9.4949 -0.000000 0.000000 
1 1 1  -18    0   48 o  128.584   7.1160  113.202   12.166  126.456   18.280  102.661   16.301  135.393   10.092  121.775   10.035 -0.000000 0.000000 
1 1 1  -18    0   49 o  186.601   6.6478  238.202   16.682  235.594   24.256  240.542   22.980  185.569   9.7062  187.633   9.0863 -0.000000 0.000000 
1 1 1  -18    0   50 o  150.712   6.8773  155.003   13.862  170.041   20.667  142.704   18.690  157.382   9.7767  144.042   9.6750 -0.000000 0.000000 
1 1 1  -18    0   51 o  416.683   8.3195  1181.35   46.863  1207.71   67.725  1157.13   64.914  421.128   11.889  412.237   11.641 -0.000000 0.000000 
1 1 1  -18    0   52 f  495.061   9.2418  1667.83   61.860  1719.71   89.546  1620.47   85.558  502.410   13.173  487.712   12.966 -0.000000 0.000000 
1 1 1  -18    0   53 o  197.647   6.7019  266.192   17.807  277.466   26.371  256.743   24.142  201.465   9.7108  193.829   9.2391 -0.000000 0.000000 
1 1 1  -18    0   54 o  542.744   9.8583  2008.19   72.384  2022.70  103.548  1994.31  101.226  544.638   14.051  540.849   13.832 -0.000000 0.000000 
1 1 1  -18    0   55 o  582.010   10.383  2309.55   81.730  2359.65  117.872  2263.17  113.423  588.060   14.812  575.960   14.553 -0.000000 0.000000 
1 1 1  -18    0   56 o   48.856   10.096   21.412   8.8510  -4.3677   13.548   40.609   11.691   23.480   15.657   74.231   12.751 -0.000000 0.000000 
1 1 1  -18    0   57 f  216.179   9.2615  319.095   27.018   0.0000   0.0000  319.095   27.018  216.179   9.2615  216.179   9.2615 -0.000000 0.000000 
1 1 1  -18    0   58 o  252.205   6.9425  432.848   23.596  452.269   34.765  416.260   32.130  257.426   9.9999  246.985   9.6330 -0.000000 0.000000 
1 1 1  -18    0   59 o   38.874   13.330   15.275   8.3675   12.372   13.066   17.294   10.895   35.707   19.317   42.042   18.374 -0.000000 0.000000 
1 1 1  -18    0   60 o  162.438   7.0322  181.031   15.249  183.796   22.962  178.850   20.395  163.435   10.466  161.440   9.3952 -0.000000 0.000000 
1 1 1  -18    0   61 o  250.888   6.9974  430.035   23.664  425.710   34.400  433.920   32.605  249.622   10.208  252.153   9.5732 -0.000000 0.000000 
1 1 1  -18    0   62 o  130.613   11.265  118.625   19.597  118.625   19.597   0.0000   0.0000  130.613   11.265  130.613   11.265 -0.000000 0.000000 
1 1 1  -18    0   63 o  122.413   11.579  104.690   18.813  104.690   18.813   0.0000   0.0000  122.413   11.579  122.413   11.579 -0.000000 0.000000 
1 1 1  -18    0   64 o  383.504   8.0956  1003.12   41.954  1024.01   60.787  984.118   57.978  387.285   11.606  379.724   11.290 -0.000000 0.000000 
1 1 1  -18    0   65 o  207.607   7.0170  294.811   19.587  299.306   28.849  290.966   26.679  209.013   10.242  206.201   9.5950 -0.000000 0.000000 
1 1 1  -18    0   67 o  467.170   9.0914  1492.10   57.423  1496.34   82.688  1488.15   79.806  467.742   13.068  466.597   12.642 -0.000000 0.000000 
1 1 1  -18    0   68 o  236.670   7.1447  384.442   22.743  362.216   32.853  404.895   31.515  229.931   10.595  243.409   9.5881 -0.000000 0.000000 
1 1 1  -18    0   69 o  226.145   7.0475  351.253   21.423  323.553   30.665  377.661   29.941  217.237   10.472  235.053   9.4343 -0.000000 0.000000 
1 1 1  -18    0   70 o  242.517   7.1507  402.683   23.350  400.154   34.172  404.898   31.980  241.710   10.477  243.325   9.7340 -0.000000 0.000000 
1 1 1  -18    0   71 o  170.336   7.4131  199.058   16.809  206.010   25.729  193.881   22.203  172.779   11.094  167.892   9.8363 -0.000000 0.000000 
1 1 1  -18    0   72 o  351.630   10.921  845.656   51.925   0.0000   0.0000  845.656   51.925  351.630   10.921  351.630   10.921 -0.000000 0.000000 
1 1 1  -18    0   73 o  110.353   11.508   85.793   16.781   0.0000   0.0000   85.793   16.781  110.353   11.508  110.353   11.508 -0.000000 0.000000 
1 1 1  -18    0   74 o  108.901   9.8303   89.588   12.488   60.419   18.405  114.473   17.000   89.350   16.985  128.452   9.9015 -0.000000 0.000000 
1 1 1  -18    0   75 o   38.486   13.903   15.159   9.3481   11.579   14.694   17.593   12.116   35.267   19.962   41.705   19.356 -0.000000 0.000000 
1 1 1  -18    0   76 o  176.885   7.2939  214.850   17.261  226.159   25.982  205.917   23.093  180.956   10.681  172.814   9.9361 -0.000000 0.000000 
1 1 1  -18    0   77 o   79.437   18.136   49.810   17.010   49.810   17.010   0.0000   0.0000   79.437   18.136   79.437   18.136 -0.000000 0.000000 
1 1 1  -18    0   78 o  244.583   10.626  412.040   35.067  412.040   35.067   0.0000   0.0000  244.583   10.626  244.583   10.626 -0.000000 0.000000 
1 1 1  -18    0   79 o   60.542   14.282   32.742   10.349   32.865   16.226   32.657   13.436   59.250   21.831   61.834   18.421 -0.000000 0.000000 
1 1 1  -18    0   80 o  361.792   8.0553  903.317   39.370  902.992   56.862  903.615   54.564  361.590   11.632  361.995   11.147 -0.000000 0.000000 
1 1 1  -18    0   81 o   26.425   11.699   2.1999   8.5674   7.4980   13.383  -1.4788   11.152   30.600   18.264   22.250   14.626 -0.000000 0.000000 
1 1 1  -18    0   82 o  138.662   7.5044  134.024   13.844  141.057   20.817  128.446   18.537  141.801   10.985  135.524   10.227 -0.000000 0.000000 
1 1 1  -18    0   83 o  101.395   9.0345   72.478   11.566   94.125   18.076   57.470   15.051  114.789   11.914   88.000   13.585 -0.000000 0.000000 
1 1 1  -18    0   84 o   26.104   11.615   3.0364   8.4256   4.2726   13.507   2.2491   10.780   27.964   17.456   24.244   15.327 -0.000000 0.000000 
1 1 1  -18    0   85 o   24.165   15.240   2.4612   10.585   0.0000   0.0000   2.4612   10.585   24.165   15.240   24.165   15.240 -0.000000 0.000000 
1 1 1  -18    0   86 f   63.185   17.475   33.936   12.941   0.0000   0.0000   33.936   12.941   63.185   17.475   63.185   17.475 -0.000000 0.000000 
1 1 1  -18    0   87 o   76.780   14.204   45.420   13.291   0.0000   0.0000   45.420   13.291   76.780   14.204   76.780   14.204 -0.000000 0.000000 
1 1 1  -18    0   88 o   82.812   13.411   51.891   13.866   0.0000   0.0000   51.891   13.866   82.812   13.411   82.812   13.411 -0.000000 0.000000 
1 1 1  -18    0   89 o   33.012   17.969   11.751   11.370   0.0000   0.0000   11.751   11.370   33.012   17.969   33.012   17.969 -0.000000 0.000000 
1 1 1  -18    1    1 o  922.952   12.892  5795.42  152.214  5810.76  186.818  5765.11  262.535  925.199   14.901  920.705   21.042 4.494141 25.78345 
1 1 1  -18    1    2 o  181.839   5.2278  231.186   12.147  247.834   15.188  201.637   20.234  191.224   5.8612  172.454   8.6583 18.77017 10.45564 
1 1 1  -18    1    3 o  936.107   12.297  5945.02  155.996  5945.02  155.996   0.0000   0.0000  936.107   12.297  ?   ?       ?      ? 
1 1 1  -18    1    4 o  891.196   11.760  5387.68  142.019  5387.68  142.019   0.0000   0.0000  891.196   11.760  ?   ?       ?      ? 
1 1 1  -18    1    5 o  770.249   10.334  3981.92   92.738  3939.44  106.438  4115.79  188.963  762.163   10.305  778.336   17.915 -16.17291 20.66798 
1 1 1  -18    1    6 o  1091.04   12.258  8085.93  181.235  8083.73  256.290  8088.13  256.319  1090.90   17.337  1091.19   17.334 -0.2971191 24.51583 
1 1 1  -18    1    7 o  922.533   10.507  5776.60  131.352  5836.68  187.006  5718.10  184.540  927.265   14.882  917.802   14.837 9.462769 21.01501 
1 1 1  -18    1    8 o  829.810   9.5652  4670.79  107.537  4577.66  150.137  4768.90  154.101  821.323   13.489  838.297   13.565 -16.97363 19.13048 
1 1 1  -18    1    9 o  511.722   6.4690  1774.41   44.845  1725.56   62.517  1826.19   64.365  504.471   9.1449  518.972   9.1521 -14.50107 12.93796 
1 1 1  -18    1   10 o  825.836   13.490  4628.10  150.970  4628.10  150.970   0.0000   0.0000  825.836   13.490  ?   ?       ?      ? 
1 1 1  -18    1   11 o  927.496   10.577  5838.66  132.932  5916.76  189.610  5763.17  186.420  933.591   14.987  921.401   14.930 12.19037 21.15474 
1 1 1  -18    1   12 o  1098.64   12.348  8197.96  183.822  8297.99  262.109  8101.13  257.869  1105.23   17.500  1092.05   17.425 13.17627 24.69599 
1 1 1  -18    1   13 o  759.507   8.8685  3913.04   91.269  3963.68  130.156  3864.06  128.018  764.339   12.566  754.676   12.518 9.662354 17.73691 
1 1 1  -18    1   14 o  905.668   10.363  5563.77  127.144  5712.09  182.887  5425.04  176.880  917.335   14.712  894.001   14.600 23.33411 20.72698 
1 1 1  -18    1   15 o  978.950   13.594  6454.38  168.845  6347.90  204.637  6681.46  298.846  966.930   15.617  990.969   22.254 -24.03864 27.18700 
1 1 1  -18    1   16 o  183.576   5.1933  230.855   12.248  236.272   15.180  220.750   20.732  186.709   5.9998  180.444   8.4785 6.264328 10.38666 
1 1 1  -18    1   17 o  949.201   13.239  6129.43  160.768  6143.09  197.312  6102.44  277.304  951.239   15.307  947.163   21.605 4.076172 26.47751 
1 1 1  -18    1   18 o  667.533   9.7992  3053.88   84.325  3123.95  104.899  2925.88  141.768  678.637   11.406  656.428   15.937 22.20905 19.59840 
1 1 1  -18    1   19 o  459.728   7.4221  1443.94   43.799  1400.04   74.541  1467.09   54.129  454.281   12.109  465.175   8.5867 -10.89423 14.84412 
1 1 1  -18    1   20 o  946.782   13.228  6066.26  159.406  6166.34  279.188  6017.85  194.167  952.075   21.639  941.489   15.219 10.58563 26.45504 
1 1 1  -18    1   21 o  1056.84   14.642  7614.40  198.017  7539.05  340.873  7652.78  243.274  1052.24   23.905  1061.45   16.913 -9.206421 29.28320 
1 1 1  -18    1   22 o  598.229   7.3393  2425.30   59.475  2358.60   82.721  2496.67   85.572  589.723   10.351  606.735   10.408 -17.01154 14.67870 
1 1 1  -18    1   23 o  398.316   5.5596  1075.52   30.008  1084.48   42.634  1066.73   42.245  399.959   7.8661  396.673   7.8589 3.286194 11.11919 
1 1 1  -18    1   24 o  1201.20   19.022  9808.32  309.637   0.0000   0.0000  9808.32  309.637  ?   ?   1201.20   19.022      ?      ? 
1 1 1  -18    1   25 o  948.546   13.254  6087.71  159.992  6198.50  280.406  6034.24  194.816  954.398   21.681  942.694   15.250 11.70374 26.50702 
1 1 1  -18    1   26 o  481.350   7.6739  1562.68   47.016  1597.72   82.481  1545.81   57.224  485.234   12.543  477.465   8.8441 7.769440 15.34784 
1 1 1  -18    1   27 o  521.041   8.1875  1854.77   54.758  1882.95   67.657  1801.26   93.234  526.930   9.4749  515.151   13.355 11.77948 16.37508 
1 1 1  -18    1   28 o  1106.87   17.695  8349.89  265.349  8531.32  380.466  8178.06  370.262  1118.55   25.100  1095.19   24.948 23.36145 35.38959 
1 1 1  -18    1   29 o  905.524   12.755  5575.61  147.492  5577.25  180.603  5572.31  255.570  906.239   14.706  904.808   20.843 1.431213 25.50925 
1 1 1  -18    1   30 o  1140.01   12.826  8836.60  198.130  8914.63  281.876  8760.41  278.549  1144.98   18.167  1135.04   18.110 9.934692 25.65126 
1 1 1  -18    1   31 o  561.521   7.0273  2138.73   53.472  2151.49   75.894  2126.15   75.351  563.184   9.9443  559.858   9.9318 3.326416 14.05452 
1 1 1  -18    1   32 o  647.288   7.8327  2842.65   68.701  2874.92   97.836  2811.26   96.493  650.910   11.092  643.665   11.062 7.244568 15.66532 
1 1 1  -18    1   33 o  408.521   5.7168  1131.70   31.648  1130.52   44.754  1132.88   44.760  408.308   8.0884  408.733   8.0810 -0.4256287 11.43351 
1 1 1  -18    1   34 o  545.307   6.8877  2017.24   50.897  2028.90   72.223  2005.73   71.738  546.872   9.7455  543.743   9.7358 3.129639 13.77537 
1 1 1  -18    1   35 o  902.670   10.386  5536.99  127.048  5550.95  179.959  5523.13  179.388  903.802   14.693  901.537   14.683 2.265442 20.77238 
1 1 1  -18    1   36 o  468.153   6.2156  1486.44   39.430  1468.63   55.416  1504.69   56.116  465.314   8.7884  470.991   8.7921 -5.677277 12.43126 
1 1 1  -18    1   37 o  242.139   4.7046  397.477   15.436  389.544   21.712  405.584   21.949  239.696   6.6843  244.583   6.6222 -4.886353 9.409193 
1 1 1  -18    1   38 o  511.120   8.0561  1787.68   52.982  1819.57   65.682  1728.27   89.641  517.864   9.3594  504.376   13.115 13.48721 16.11217 
1 1 1  -18    1   39 o  553.029   8.5001  2064.66   60.007  2040.33   73.229  2114.40  104.697  548.313   9.8553  557.746   13.852 -9.432922 17.00025 
1 1 1  -18    1   40 o  890.662   12.606  5412.59  143.611  5381.31  247.660  5428.44  176.274  887.901   20.583  893.424   14.560 -5.522583 25.21187 
1 1 1  -18    1   41 o  692.315   8.3000  3255.57   77.864  3292.33  110.876  3219.81  109.373  696.168   11.753  688.462   11.723 7.705383 16.60010 
1 1 1  -18    1   42 o  404.862   5.7259  1112.05   31.414  1120.86   44.583  1103.35   44.271  406.456   8.0942  403.268   8.1010 3.187408 11.45178 
1 1 1  -18    1   43 o  234.870   4.7207  374.135   15.025  372.425   21.234  375.848   21.263  234.333   6.6868  235.408   6.6652 -1.075134 9.441314 
1 1 1  -18    1   44 o  299.744   5.0270  609.310   20.416  621.927   29.160  597.178   28.594  302.787   7.1068  296.701   7.1117 6.086060 10.05397 
1 1 1  -18    1   45 o  641.213   9.6190  2789.74   78.506  2825.39  137.352  2772.44   95.675  643.740   15.745  638.686   11.054 5.054260 19.23796 
1 1 1  -18    1   46 o  840.326   13.958  4834.34  158.938  4904.92  226.671  4766.08  222.919  846.348   19.764  834.305   19.717 12.04321 27.91697 
1 1 1  -18    1   47 o  121.720   6.6041  102.572   10.010  105.735   12.089   95.671   17.855  124.827   7.1463  118.613   11.108 6.214172 13.20820 
1 1 1  -18    1   48 o  574.764   7.2097  2245.65   56.155  2249.92   79.542  2241.40   79.289  575.308   10.203  574.221   10.189 1.087219 14.41943 
1 1 1  -18    1   49 o  596.665   7.4197  2420.99   59.992  2437.42   85.170  2404.81   84.516  598.672   10.498  594.657   10.488 4.015198 14.83942 
1 1 1  -18    1   50 o  237.653   4.7566  383.244   15.315  395.451   21.796  371.342   21.523  241.394   6.6631  233.913   6.7900 7.481354 9.513199 
1 1 1  -18    1   51 o  144.583   4.8049  141.893   9.4128  138.680   13.283  145.134   13.341  142.936   6.8575  146.230   6.7323 -3.293106 9.609832 
1 1 1  -18    1   52 o  558.045   7.0814  2118.36   53.549  2140.40   76.170  2096.82   75.296  560.913   10.021  555.177   10.008 5.736572 14.16276 
1 1 1  -18    1   53 o  240.967   4.7935  394.023   15.647  379.540   21.897  409.135   22.368  236.440   6.8341  245.493   6.7235 -9.053406 9.587030 
1 1 1  -18    1   54 o  333.592   5.2802  755.892   23.869  752.612   33.635  759.219   33.878  332.864   7.4567  334.320   7.4779 -1.455505 10.56031 
1 1 1  -18    1   55 o  255.348   4.8661  442.744   16.838  438.206   23.672  447.391   23.954  254.025   6.8767  256.672   6.8868 -2.647720 9.732250 
1 1 1  -18    1   56 o  189.540   5.7302  246.051   14.031  250.465   17.476  238.044   23.539  192.047   6.7150  187.032   9.2872 5.014816 11.46049 
1 1 1  -18    1   57 o  267.913   6.8441  488.752   24.848  486.608   35.182  490.885   35.098  267.322   9.7118  268.503   9.6461 -1.180969 13.68819 
1 1 1  -18    1   58 o  474.264   6.3739  1530.20   40.955  1492.08   57.218  1570.24   58.646  468.210   9.0180  480.318   9.0100 -12.10788 12.74778 
1 1 1  -18    1   59 o  250.555   4.8832  426.322   16.574  411.156   23.167  442.222   23.722  245.989   6.9499  255.122   6.8615 -9.133011 9.766304 
1 1 1  -18    1   60 o  249.862   4.8814  424.226   16.528  420.105   23.277  428.417   23.472  248.638   6.9084  251.087   6.8983 -2.448669 9.762816 
1 1 1  -18    1   61 o  243.343   4.8765  402.207   16.072  384.101   22.452  421.238   23.018  237.722   6.9696  248.965   6.8225 -11.24319 9.753014 
1 1 1  -18    1   62 o  127.366   7.8060  110.818   13.473  111.255   19.042  110.381   19.065  127.619   11.010  127.112   11.068 0.5076141 15.61194 
1 1 1  -18    1   63 o  150.277   7.5140  154.244   15.301  155.323   21.562  153.150   21.716  150.815   10.550  149.740   10.702 1.075577 15.02797 
1 1 1  -18    1   64 o  472.681   6.4095  1522.54   41.049  1491.93   57.449  1554.47   58.675  467.829   9.0617  477.533   9.0670 -9.703186 12.81897 
1 1 1  -18    1   65 o  504.101   6.6882  1733.39   45.685  1711.00   64.132  1756.46   65.097  500.799   9.4499  507.403   9.4673 -6.604034 13.37646 
1 1 1  -18    1   66 o  245.074   5.0173  408.597   16.663  408.197   23.555  408.997   23.574  244.954   7.0961  245.194   7.0949 -0.2400970 10.03454 
1 1 1  -18    1   67 o  624.610   7.8064  2670.31   66.075  2674.33   93.529  2666.30   93.360  625.078   11.042  624.141   11.038 0.9371948 15.61273 
1 1 1  -18    1   68 o  435.589   6.1314  1293.98   36.192  1299.09   51.311  1288.93   51.056  436.442   8.6757  434.735   8.6664 1.707581 12.26275 
1 1 1  -18    1   69 o  386.710   5.7619  1019.30   30.193  1033.94   42.925  1004.97   42.479  389.462   8.1331  383.958   8.1640 5.504028 11.52385 
1 1 1  -18    1   70 o  195.962   4.9904  261.465   13.238  277.373   18.850  245.983   18.596  201.866   6.8908  190.058   7.2203 11.80804 9.980738 
1 1 1  -18    1   71 o  195.463   5.0339  260.048   13.298  286.984   19.110  234.762   18.515  205.305   6.8687  185.622   7.3607 19.68317 10.06775 
1 1 1  -18    1   72 o  164.213   6.8935  184.643   15.339  187.763   21.716  181.537   21.669  165.610   9.6761  162.816   9.8212 2.794250 13.78703 
1 1 1  -18    1   73 o  141.678   6.2846  132.479   11.578  121.364   14.230  154.248   19.915  133.338   7.8754  150.017   9.7961 -16.67915 12.56919 
1 1 1  -18    1   74 o  177.635   5.0586  215.124   12.161  230.538   17.419  200.466   16.987  183.866   6.9910  171.403   7.3131 12.46249 10.11712 
1 1 1  -18    1   75 o  201.854   5.0530  277.431   13.769  313.297   19.986  245.030   18.996  214.295   6.8821  189.413   7.4005 24.88113 10.10600 
1 1 1  -18    1   76 o  154.939   5.1756  164.050   10.866  167.198   15.424  160.947   15.310  156.423   7.2761  153.456   7.3624 2.967316 10.35116 
1 1 1  -18    1   77 o  142.073   7.9207  139.645   15.198  124.577   21.095  155.906   21.914  133.997   11.617  150.150   10.770 -16.15218 15.84135 
1 1 1  -18    1   78 o  102.686   7.7633   71.174   10.043   78.542   18.240   67.968   12.031  105.994   12.699   99.378   8.9336 6.616386 15.52655 
1 1 1  -18    1   79 o  141.439   5.2660  137.087   10.087  144.289   14.465  130.271   14.073  145.072   7.3576  137.805   7.5357 7.266754 10.53194 
1 1 1  -18    1   80 o   80.847   6.7846   45.338   7.4186   42.216   10.506   48.443   10.477   78.003   9.9386   83.691   9.2383 -5.688354 13.56917 
1 1 1  -18    1   81 o   96.883   6.0599   65.178   7.8534   78.170   11.232   52.752   10.985  106.542   7.7796   87.224   9.2934 19.31874 12.11976 
1 1 1  -18    1   82 o  101.877   5.8324   71.783   8.0483   69.309   11.384   74.256   11.380  100.085   8.3937  103.669   8.1003 -3.583748 11.66486 
1 1 1  -18    1   83 o  103.428   5.8022   74.110   8.1320   73.266   11.469   74.964   11.532  102.829   8.2303  104.027   8.1807 -1.198410 11.60432 
1 1 1  -18    1   84 o  156.846   5.0790  169.873   10.790  176.604   15.330  163.265   15.191  159.970   7.0717  153.722   7.2922 6.248566 10.15804 
1 1 1  -18    1   85 o   57.718   10.732   25.485   8.6529   19.353   12.089   31.927   12.391   50.611   15.853   64.826   14.472 -14.21478 21.46489 
1 1 1  -18    1   86 o   67.268   10.093   34.543   8.9313   40.278   12.747   29.014   12.517   73.322   13.320   61.214   15.167 12.10814 20.18580 
1 1 1  -18    1   87 o  114.377   7.4531   93.560   11.546   97.319   16.377   89.845   16.279  116.769   10.350  111.985   10.727 4.783920 14.90617 
1 1 1  -18    1   88 o   37.261   10.366   7.0305   7.8421   2.7657   11.014   11.416   11.169   33.394   14.123   41.129   15.178 -7.735081 20.73209 
1 1 1  -18    1   89 o   39.205   14.923   9.7796   10.979   9.7796   10.979   0.0000   0.0000   39.205   14.923  ?   ?       ?      ? 
1 1 1  -18    2    1 o  1133.70   12.736  8706.17  195.344  8271.64  267.072  9206.10  286.464  1103.40   17.861  1164.00   18.161 -60.60583 25.47234 
1 1 1  -18    2    2 o  410.984   6.3813  1138.95   30.869  1132.60   35.649  1157.98   61.711  408.776   6.4355  413.192   11.021 -4.415405 12.76257 
1 1 1  -18    2    3 o  251.701   5.0638  432.924   15.138  436.737   17.628  422.217   29.541  253.855   5.1243  249.547   8.7356 4.308182 10.12766 
1 1 1  -18    2    4 o  1018.27   13.238  6804.22  153.893  6607.72  174.292  7499.39  327.824  986.823   13.033  1049.71   23.046 -62.88385 26.47588 
1 1 1  -18    2    5 o  798.439   10.654  4302.95   99.574  4278.72  114.687  4377.12  200.690  794.280   10.655  802.597   18.452 -8.317017 21.30751 
1 1 1  -18    2    6 f  704.892   10.152  3178.47   87.805  2942.54  102.435  3832.00  170.486  658.635   11.477  751.149   16.749 -92.51324 20.30355 
1 1 1  -18    2    7 o  1126.28   14.587  8610.26  222.635  8610.26  222.635   0.0000   0.0000  1126.28   14.587  ?   ?       ?      ? 
1 1 1  -18    2    8 o  699.709   10.204  3383.64   92.398  3543.38  116.265  3109.80  152.227  722.730   11.871  676.688   16.600 46.04187 20.40828 
1 1 1  -18    2    9 o  263.424   5.5026  476.563   18.662  491.004   23.229  450.272   31.343  269.149   6.3688  257.700   8.9751 11.44870 11.00520 
1 1 1  -18    2   10 o  746.280   10.677  3731.34  101.006  3644.22  122.118  3920.03  179.719  732.910   12.295  759.651   17.458 -26.74115 21.35334 
1 1 1  -18    2   11 o  1154.74   15.836  8985.64  231.855  8829.85  280.771  9319.62  411.094  1139.99   18.175  1169.50   25.939 -29.51599 31.67284 
1 1 1  -18    2   12 o  690.733   9.9860  3196.93   87.436  3124.30  105.720  3354.13  155.546  678.672   11.495  702.794   16.332 -24.12274 19.97203 
1 1 1  -18    2   13 f  793.098   11.252  4252.74  113.773  4217.58  138.785  4324.79  198.668  788.402   12.990  797.795   18.376 -9.393127 22.50391 
1 1 1  -18    2   14 o  1041.41   16.641  7375.64  234.719  7600.91  338.728  7167.56  325.550  1056.66   23.655  1026.15   23.411 30.51428 33.28167 
1 1 1  -18    2   15 o  251.306   4.4985  428.070   15.311  409.204   21.539  447.342   21.769  245.707   6.4688  256.905   6.2531 -11.19772 8.997017 
1 1 1  -18    2   16 o  416.830   5.6753  1177.81   32.056  1186.09   45.611  1169.73   45.062  418.276   8.0468  415.384   8.0052 2.892548 11.35054 
1 1 1  -18    2   17 o  1117.09   12.564  8477.94  190.193  8464.46  268.652  8491.49  269.297  1116.20   17.761  1117.98   17.775 -1.778320 25.12785 
1 1 1  -18    2   18 o  1000.34   11.336  6790.71  153.615  6961.30  220.909  6630.98  213.757  1012.48   16.101  988.189   15.962 24.29474 22.67219 
1 1 1  -18    2   19 o  1044.65   11.800  7410.97  167.036  7491.94  238.017  7332.39  234.472  1050.26   16.723  1039.03   16.653 11.23303 23.60046 
1 1 1  -18    2   20 o  408.552   5.6174  1131.45   31.098  1142.44   44.305  1120.77   43.661  410.508   7.9644  406.597   7.9240 3.911041 11.23481 
1 1 1  -18    2   21 o  448.314   7.3246  1363.97   41.826  1360.56   72.831  1365.64   51.091  447.824   12.001  448.805   8.4006 -0.9811707 14.64922 
1 1 1  -18    2   22 o  470.072   8.6871  1498.21   55.338   0.0000   0.0000  1498.21   55.338  ?   ?   470.072   8.6871      ?      ? 
1 1 1  -18    2   23 o  785.552   11.201  4155.57  111.716  4291.04  197.391  4091.73  135.507  794.588   18.332  776.515   12.877 18.07263 22.40263 
1 1 1  -18    2   24 o  242.261   4.5626  397.344   14.970  413.779   21.609  382.177   20.758  247.072   6.4539  237.450   6.4512 9.622391 9.125259 
1 1 1  -18    2   25 o  1281.60   14.303 11172.36  248.403 11201.80  352.000 11143.16  350.593  1283.28   20.241  1279.92   20.213 3.356445 28.60577 
1 1 1  -18    2   26 o  1441.24   16.008 14142.32  312.619 14334.02  446.285 13957.63  438.050  1450.81   22.700  1431.67   22.579 19.13672 32.01665 
1 1 1  -18    2   27 o  1163.92   13.067  9209.88  206.095  9304.79  293.518  9117.59  289.450  1169.83   18.515  1158.02   18.445 11.81226 26.13481 
1 1 1  -18    2   28 o  604.979   9.1353  2493.65   70.656  2512.94   86.770  2455.69  121.724  608.643   10.520  601.314   14.938 7.328735 18.27066 
1 1 1  -18    2   29 o  669.613   9.8969  3056.72   84.762  3081.78  104.156  3007.57  145.854  673.933   11.405  665.293   16.178 8.639954 19.79379 
1 1 1  -18    2   30 o  608.139   7.4559  2509.00   61.445  2517.31   87.065  2500.75   86.728  609.143   10.547  607.135   10.541 2.007202 14.91184 
1 1 1  -18    2   31 o  314.990   5.0185  672.555   21.419  659.177   30.087  686.304   30.501  311.814   7.1202  318.166   7.0742 -6.352509 10.03703 
1 1 1  -18    2   32 o  791.541   11.334  4243.30  114.258  4303.60  199.759  4213.99  139.294  795.284   18.535  787.799   13.048 7.484985 22.66720 
1 1 1  -18    2   33 o  266.947   6.8391  483.178   24.730  475.379   34.385  491.534   35.594  264.720   9.5852  269.174   9.7581 -4.454498 13.67830 
1 1 1  -18    2   34 f  655.078   9.7559  2934.55   81.893  2976.17  100.982  2854.59  139.964  662.189   11.253  647.968   15.940 14.22107 19.51180 
1 1 1  -18    2   35 o  631.709   7.7055  2706.43   65.939  2781.20   94.829  2636.44   91.750  640.147   10.931  623.271   10.863 16.87616 15.41101 
1 1 1  -18    2   36 o  699.681   8.3551  3322.46   79.205  3388.98  113.380  3259.05  110.692  706.515   11.842  692.846   11.790 13.66943 16.71025 
1 1 1  -18    2   37 o  414.225   6.9982  1153.16   37.070  1131.30   45.240  1197.83   64.670  408.406   8.1743  420.044   11.361 -11.63843 13.99635 
1 1 1  -18    2   38 o  473.023   7.6219  1523.21   46.346  1532.68   57.221  1505.17   79.022  475.306   8.8839  470.740   12.388 4.565765 15.24384 
1 1 1  -18    2   39 o  354.718   5.3468  853.339   25.701  858.833   36.529  847.953   36.167  355.848   7.5751  353.588   7.5480 2.260162 10.69363 
1 1 1  -18    2   40 o  299.612   6.1031  602.947   23.299  626.937   40.951  591.464   28.332  303.908   9.9436  295.317   7.0795 8.591187 12.20629 
1 1 1  -18    2   41 o  493.862   6.4754  1654.97   43.331  1677.75   61.857  1633.02   60.719  497.196   9.1807  490.527   9.1343 6.668671 12.95071 
1 1 1  -18    2   42 f  340.042   5.2602  784.329   24.238  772.378   34.143  796.471   34.413  337.429   7.4667  342.655   7.4112 -5.225403 10.52033 
1 1 1  -18    2   43 o  780.411   9.1818  4142.46   97.102  4125.79  137.036  4159.27  137.613  778.834   12.984  781.988   12.986 -3.153503 18.36354 
1 1 1  -18    2   44 o  132.580   6.1588  122.090   10.283  111.618   17.870  127.274   12.573  128.183   10.288  136.977   6.7737 -8.794769 12.31751 
1 1 1  -18    2   45 o  508.560   8.0992  1755.02   52.522  1768.69   91.466  1748.30   64.154  509.740   13.241  507.380   9.3305 2.359833 16.19847 
1 1 1  -18    2   46 o  356.414   6.6682  856.052   30.115  843.888   36.473  882.110   53.383  352.621   7.6328  360.206   10.936 -7.585114 13.33650 
1 1 1  -18    2   47 o  531.941   8.4099  1926.93   57.025  1929.76   69.727  1921.20   99.097  532.920   9.6551  530.962   13.773 1.958130 16.81975 
1 1 1  -18    2   48 o  386.228   5.6027  1012.80   29.324  1010.82   41.484  1014.79   41.457  385.848   7.9339  386.607   7.9130 -0.7590637 11.20545 
1 1 1  -18    2   49 o  370.249   5.4928  930.773   27.559  926.772   38.915  934.798   39.034  369.450   7.7728  371.047   7.7630 -1.597382 10.98550 
1 1 1  -18    2   50 o  543.533   6.9318  2008.82   51.057  2012.73   72.300  2004.92   72.111  544.061   9.8063  543.006   9.7997 1.055359 13.86357 
1 1 1  -18    2   51 o  205.253   4.7200  285.951   13.128  284.379   18.560  287.524   18.572  204.688   6.6912  205.818   6.6589 -1.130280 9.439970 
1 1 1  -18    2   52 o  262.363   4.8824  467.319   17.359  470.300   24.574  464.352   24.524  263.199   6.8899  261.527   6.9197 1.671967 9.764870 
1 1 1  -18    2   53 f  305.629   5.1109  634.246   21.166  621.314   29.731  647.536   30.139  302.469   7.2534  308.790   7.2024 -6.321594 10.22186 
1 1 1  -18    2   54 o  363.158   5.4801  895.813   26.965  915.783   38.502  876.587   37.778  367.131   7.7389  359.185   7.7613 7.945557 10.96029 
1 1 1  -18    2   55 o  350.973   5.4034  836.673   25.694  857.878   36.755  816.408   35.933  355.321   7.6334  346.625   7.6497 8.696716 10.80681 
1 1 1  -18    2   56 o  470.975   7.7948  1542.08   47.639  1626.15   60.297  1402.44   77.713  488.858   9.1018  453.094   12.657 35.76401 15.58964 
1 1 1  -18    2   57 o  589.781   9.0983  2396.43   69.057  2317.54  116.712  2438.92   85.661  581.404   14.813  598.158   10.568 -16.75409 18.19662 
1 1 1  -18    2   58 o  454.209   6.2028  1403.71   38.176  1379.55   53.585  1428.61   54.401  450.239   8.7825  458.179   8.7617 -7.939758 12.40566 
1 1 1  -18    2   59 o  188.559   4.7851  241.551   12.226  237.320   17.224  245.848   17.358  186.893   6.8007  190.226   6.7334 -3.333527 9.570181 
1 1 1  -18    2   60 o  341.823   5.3944  794.576   24.987  788.811   35.305  800.363   35.370  340.578   7.6495  343.069   7.6080 -2.491394 10.78871 
1 1 1  -18    2   61 o  291.412   5.1018  577.279   20.146  586.172   28.680  568.617   28.305  293.628   7.2078  289.196   7.2224 4.432251 10.20370 
1 1 1  -18    2   62 o  278.464   7.3564  529.134   27.755  519.533   38.831  539.163   39.686  275.885   10.386  281.042   10.420 -5.156982 14.71270 
1 1 1  -18    2   63 o  319.224   6.5656  695.970   26.634  698.312   32.488  691.172   46.509  320.389   7.4829  318.060   10.791 2.328583 13.13122 
1 1 1  -18    2   64 o  154.875   5.0788  163.069   10.616  183.639   15.278  143.868   14.761  164.339   6.8604  145.410   7.4908 18.92892 10.15762 
1 1 1  -18    2   65 f  207.449   4.8881  292.421   13.735  305.113   19.738  280.507   19.124  211.814   6.8765  203.085   6.9490 8.728531 9.776206 
1 1 1  -18    2   66 o  414.314   5.9619  1169.74   33.472  1179.07   47.573  1160.59   47.104  415.949   8.4400  412.680   8.4229 3.269043 11.92382 
1 1 1  -18    2   67 o   63.798   8.5987   28.735   7.1554   31.190   10.423   26.547   9.8410   66.454   12.016   61.142   12.303 5.312202 17.19747 
1 1 1  -18    2   68 o  196.684   4.9685  263.256   13.242  265.324   18.755  261.201   18.701  197.456   7.0091  195.912   7.0439 1.544449 9.936998 
1 1 1  -18    2   69 o  143.276   5.2565  139.719   10.181  126.761   14.185  153.485   14.621  136.405   7.6738  150.147   7.1857 -13.74173 10.51293 
1 1 1  -18    2   70 o  160.846   5.1328  176.245   11.182  169.456   15.781  183.093   15.848  157.720   7.3833  163.973   7.1322 -6.252869 10.26557 
1 1 1  -18    2   71 o  118.122   5.7646   95.394   9.1762   83.088   12.866  108.132   13.091  110.307   8.6074  125.938   7.6704 -15.63121 11.52924 
1 1 1  -18    2   72 o  246.650   6.9602  416.179   23.229  385.214   32.259  449.527   33.477  237.080   10.041  256.221   9.6415 -19.14038 13.92030 
1 1 1  -18    2   73 o  146.984   5.2784  147.358   10.511  151.831   14.982  143.022   14.751  149.187   7.4107  144.780   7.5186 4.406647 10.55688 
1 1 1  -18    2   74 o  311.051   5.3339  660.307   22.477  681.807   32.171  639.805   31.416  316.005   7.5127  306.097   7.5738 9.907410 10.66784 
1 1 1  -18    2   75 o  137.645   5.3722  129.365   10.011  137.407   14.378  121.796   13.949  141.811   7.4817  133.478   7.7115 8.333084 10.74443 
1 1 1  -18    2   76 o  212.993   5.0610  309.591   14.583  336.072   21.009  284.972   20.257  221.813   6.9894  204.174   7.3215 17.63843 10.12206 
1 1 1  -18    2   77 o   76.078   11.109   41.944   11.290   54.192   16.241   30.492   15.704   87.944   13.628   64.212   17.548 23.73207 22.21812 
1 1 1  -18    2   78 o  205.092   6.3125  290.013   16.317  288.542   28.917  290.700   19.763  204.102   10.455  206.083   7.0768 -1.981125 12.62493 
1 1 1  -18    2   79 o   79.132   6.8777   43.328   7.3701   45.557   10.505   41.168   10.342   81.166   9.5509   77.099   9.8990 4.066933 13.75538 
1 1 1  -18    2   80 o  134.473   5.3386  124.283   9.7262  120.820   13.718  127.784   13.792  132.568   7.6358  136.379   7.4630 -3.811142 10.67715 
1 1 1  -18    2   81 o   73.691   7.0644   37.934   6.9682   45.521   10.010   30.800   9.7061   81.032   9.1158   66.351   10.795 14.68039 14.12884 
1 1 1  -18    2   82 o   94.215   6.0094   61.517   7.6657   58.456   10.820   64.602   10.862   91.812   8.6964   96.618   8.2961 -4.805817 12.01884 
1 1 1  -18    2   83 o  154.591   5.0715  164.778   10.621  159.071   14.934  170.618   15.108  151.851   7.2573  157.331   7.0860 -5.480423 10.14298 
1 1 1  -18    2   84 o   83.141   6.7333   49.073   7.3446   64.056   10.536   34.909   10.244   96.037   8.0955   70.244   10.762 25.79393 13.46659 
1 1 1  -18    2   85 f   62.506   10.498   30.059   8.8600   23.372   12.507   36.794   12.553   55.030   15.887   69.983   13.727 -14.95235 20.99545 
1 1 1  -18    2   86 o   50.444   11.052   19.470   8.3831   22.072   11.863   16.875   11.848   53.360   15.492   47.528   15.767 5.831650 22.10413 
1 1 1  -18    2   87 o   98.673   8.0074   70.229   10.683   64.161   14.875   76.693   15.351   94.088   11.667  103.257   10.971 -9.169365 16.01488 
1 1 1  -18    2   88 o   97.032   8.0292   68.182   10.511   59.962   14.488   77.315   15.271   90.616   11.798  103.448   10.894 -12.83206 16.05833 
1 1 1  -18    2   89 o   91.745   11.657   61.705   14.493   61.705   14.493   0.0000   0.0000   91.745   11.657  ?   ?       ?      ? 
1 1 1  -18    3    1 o  251.583   5.4124  434.488   17.818  451.334   22.690  407.384   28.781  258.043   6.4886  245.122   8.6645 12.92097 10.82473 
1 1 1  -18    3    2 o  451.039   7.2140  1376.09   41.877  1368.31   51.613  1391.08   71.640  449.242   8.4780  452.837   11.674 -3.595001 14.42797 
1 1 1  -18    3    3 o  831.092   11.018  4627.26  106.660  4568.67  122.346  4812.79  217.726  820.714   11.001  841.470   19.094 -20.75635 22.03587 
1 1 1  -18    3    4 o  1052.27   13.673  7449.76  167.729  7376.97  192.619  7678.08  341.141  1042.59   13.633  1061.95   23.706 -19.35071 27.34625 
1 1 1  -18    3    5 o  486.892   7.1691  1617.41   41.410  1627.95   48.165  1587.53   81.078  490.057   7.2528  483.727   12.369 6.330414 14.33818 
1 1 1  -18    3    6 o  476.103   7.0366  1524.56   39.479  1511.83   45.591  1562.73   78.939  472.260   7.1238  479.946   12.137 -7.685608 14.07330 
1 1 1  -18    3    7 o  577.099   8.1265  2252.80   55.274  2246.34   63.922  2271.98  110.049  575.621   8.1947  578.576   14.036 -2.955139 16.25301 
1 1 1  -18    3    8 o  769.550   10.334  4008.66   93.516  3997.30  108.025  4042.61  186.811  767.728   10.383  771.373   17.871 -3.644714 20.66865 
1 1 1  -18    3    9 o  338.703   9.9157  777.955   45.512  777.955   45.512   0.0000   0.0000  338.703   9.9157  ?   ?       ?      ? 
1 1 1  -18    3   10 o  753.553   12.481  3834.86  127.062  4173.15  188.790  3554.73  171.796  783.739   17.776  723.368   17.526 60.37152 24.96231 
1 1 1  -18    3   11 o  569.820   7.0176  2200.61   54.172  2254.60   77.793  2149.77   75.481  576.601   9.9559  563.039   9.8928 13.56128 14.03522 
1 1 1  -18    3   12 o  468.286   6.1016  1484.76   38.693  1544.88   55.998  1429.82   53.526  477.344   8.6567  459.227   8.6011 18.11737 12.20324 
1 1 1  -18    3   13 o  492.152   6.3114  1642.19   42.091  1651.88   59.876  1632.72   59.182  493.586   8.9517  490.719   8.8997 2.867676 12.62289 
1 1 1  -18    3   14 o  1054.96   11.898  7558.36  170.076  7640.19  242.378  7478.98  238.712  1060.58   16.864  1049.35   16.787 11.23755 23.79501 
1 1 1  -18    3   15 o  834.672   9.6372  4723.48  108.948  4871.50  157.219  4586.73  151.115  847.234   13.694  822.110   13.564 25.12366 19.27442 
1 1 1  -18    3   16 o  446.360   5.9149  1350.45   35.773  1371.14   51.120  1330.60   50.077  449.708   8.3884  443.013   8.3413 6.695831 11.82976 
1 1 1  -18    3   17 o  248.145   4.5109  417.320   15.160  397.863   21.288  437.338   21.593  242.276   6.4841  254.014   6.2729 -11.73779 9.021753 
1 1 1  -18    3   18 f  548.465   8.3496  2035.73   58.462  2055.62  101.653  2025.90   71.463  550.349   13.630  546.581   9.6481 3.768250 16.69927 
1 1 1  -18    3   19 o  744.952   10.693  3742.17  101.324  3842.23  178.145  3694.32  123.190  752.007   17.481  737.897   12.320 14.11017 21.38600 
1 1 1  -18    3   20 o  265.218   5.6513  482.861   19.221  458.025   32.584  496.116   23.804  259.896   9.2516  270.540   6.4928 -10.64438 11.30259 
1 1 1  -18    3   21 o  369.633   5.3279  925.385   26.675  956.468   38.431  896.487   37.056  375.616   7.5501  363.649   7.5195 11.96759 10.65584 
1 1 1  -18    3   22 o  411.171   6.9640  1142.37   36.353  1158.49   63.967  1134.68   44.182  413.241   11.423  409.101   7.9694 4.140564 13.92806 
1 1 1  -18    3   23 o  750.581   12.450  3822.93  126.638   0.0000   0.0000  3822.93  126.638  ?   ?   750.581   12.450      ?      ? 
1 1 1  -18    3   24 o  368.551   5.3480  919.921   26.696  953.626   38.488  888.670   37.060  375.050   7.5728  362.052   7.5536 12.99780 10.69599 
1 1 1  -18    3   25 o  908.258   10.412  5601.84  128.151  5602.45  181.368  5601.22  181.099  908.306   14.735  908.209   14.715 0.9674072E-01 20.82389 
1 1 1  -18    3   26 o  312.903   4.9793  663.732   21.112  664.303   30.040  663.176   29.677  313.034   7.0815  312.771   7.0019 0.2637024 9.958625 
1 1 1  -18    3   27 o  801.481   9.3320  4357.48  101.316  4478.46  145.823  4244.58  140.870  812.221   13.249  790.740   13.146 21.48132 18.66410 
1 1 1  -18    3   28 f  903.082   12.741  5550.60  146.916  5559.54  179.935  5532.71  254.465  904.727   14.676  901.437   20.831 3.290161 25.48185 
1 1 1  -18    3   29 o  200.359   5.7602  275.917   14.544  282.611   17.701  262.005   25.517  204.181   6.3974  196.538   9.5810 7.642761 11.52048 
1 1 1  -18    3   30 o  880.064   10.133  5259.42  120.828  5347.82  172.758  5174.76  169.056  887.296   14.368  872.832   14.293 14.46381 20.26608 
1 1 1  -18    3   31 o  341.409   5.1984  790.041   24.046  807.882   34.371  772.936   33.654  345.183   7.3478  337.634   7.3554 7.548584 10.39678 
1 1 1  -18    3   32 o  479.424   6.2898  1559.00   40.864  1560.65   57.872  1557.36   57.707  479.676   8.9031  479.172   8.8871 0.5045776 12.57953 
1 1 1  -18    3   33 o  864.237   9.9857  5072.91  116.928  5165.83  167.276  4984.14  163.510  871.967   14.156  856.507   14.087 15.45984 19.97139 
1 1 1  -18    3   34 o  402.172   5.6655  1096.90   30.877  1095.74   43.707  1098.06   43.626  401.959   8.0239  402.384   8.0006 -0.4251099 11.33107 
1 1 1  -18    3   35 o  313.585   6.0888  669.662   24.657  675.874   30.622  658.207   41.583  315.714   7.1574  311.456   9.8522 4.258087 12.17760 
1 1 1  -18    3   36 o  624.356   9.2897  2627.73   73.968  2588.33   90.112  2709.11  129.506  617.510   10.768  631.201   15.140 -13.69104 18.57936 
1 1 1  -18    3   37 f  932.501   13.140  5913.79  156.189  5958.67  272.099  5891.73  190.744  934.250   21.492  930.752   15.123 3.497986 26.27955 
1 1 1  -18    3   38 o  406.596   8.1877  1121.66   45.089  1088.00   62.539  1158.09   65.068  400.254   11.530  412.938   11.628 -12.68417 16.37534 
1 1 1  -18    3   39 o  850.039   12.134  4902.46  131.230  4864.36  159.811  4981.36  229.943  845.773   13.943  854.304   19.862 -8.531555 24.26772 
1 1 1  -18    3   40 o  444.148   7.4119  1338.48   42.000  1342.69   72.990  1336.39   51.354  444.507   12.117  443.789   8.5392 0.7178955 14.82375 
1 1 1  -18    3   41 o  830.760   9.6916  4694.91  109.105  4718.83  154.898  4671.36  153.705  832.856   13.724  828.665   13.688 4.190369 19.38319 
1 1 1  -18    3   42 o  504.363   6.5645  1726.57   44.861  1756.49   64.072  1697.78   62.832  508.648   9.2954  500.078   9.2717 8.570526 13.12897 
1 1 1  -18    3   43 o  192.646   5.8079  254.208   14.229  245.059   24.633  258.788   17.431  189.964   9.5688  195.328   6.5852 -5.363998 11.61577 
1 1 1  -18    3   44 o  504.502   8.0748  1734.48   52.023  1718.50   89.946  1742.52   63.772  502.458   13.210  506.545   9.2903 -4.086487 16.14957 
1 1 1  -18    3   45 o  347.439   5.3426  819.217   25.154  823.760   35.683  814.730   35.465  348.396   7.5579  346.482   7.5533 1.914368 10.68525 
1 1 1  -18    3   46 o  457.156   7.6189  1415.64   44.259  1405.60   53.838  1436.57   77.734  454.940   8.7327  459.372   12.487 -4.431732 15.23782 
1 1 1  -18    3   47 o  318.533   5.1457  688.617   22.211  681.000   31.280  696.362   31.543  316.756   7.2872  320.310   7.2670 -3.554230 10.29138 
1 1 1  -18    3   48 o  398.079   5.7031  1076.10   30.765  1068.17   43.371  1084.12   43.647  396.604   8.0697  399.555   8.0611 -2.951294 11.40623 
1 1 1  -18    3   49 o  157.325   6.6872  167.982   14.257  167.982   14.257   0.0000   0.0000  157.325   6.6872  ?   ?       ?      ? 
1 1 1  -18    3   50 o  411.146   5.8164  1148.31   32.405  1157.56   46.053  1139.23   45.606  412.786   8.2329  409.507   8.2182 3.279602 11.63270 
1 1 1  -18    3   51 o  362.446   5.4581  892.044   26.805  909.120   38.267  875.593   37.559  365.851   7.7185  359.041   7.7194 6.809540 10.91627 
1 1 1  -18    3   52 o  229.622   6.7724  357.966   21.074  357.966   21.074   0.0000   0.0000  229.622   6.7724  ?   ?       ?      ? 
1 1 1  -18    3   53 o  348.100   5.3831  823.097   25.391  807.321   35.700  839.247   36.120  344.721   7.6422  351.478   7.5834 -6.757080 10.76619 
1 1 1  -18    3   54 o  216.632   4.7624  318.658   13.980  320.495   19.872  316.859   19.672  217.249   6.7500  216.016   6.7200 1.233536 9.524753 
1 1 1  -18    3   55 o  283.952   5.9936  544.965   21.953  537.565   27.077  559.160   37.502  281.309   7.1029  286.594   9.6561 -5.284729 11.98714 
1 1 1  -18    3   56 o  246.637   6.7107  414.009   22.423  419.776   32.156  408.552   31.283  248.300   9.5567  244.974   9.4235 3.325638 13.42136 
1 1 1  -18    3   57 o  191.671   5.7697  249.094   14.215  252.248   24.385  247.470   17.495  192.475   9.3489  190.866   6.7641 1.609451 11.53931 
1 1 1  -18    3   58 o  232.723   4.8307  367.991   15.234  366.391   21.599  369.574   21.490  232.217   6.8638  233.229   6.7993 -1.012390 9.661395 
1 1 1  -18    3   59 o  485.189   6.4896  1603.35   42.669  1599.77   60.306  1606.94   60.380  484.645   9.1824  485.733   9.1730 -1.087799 12.97919 
1 1 1  -18    3   60 o  200.389   4.8665  272.929   13.214  269.000   18.688  276.859   18.687  198.941   6.9318  201.836   6.8322 -2.894180 9.732902 
1 1 1  -18    3   61 o  651.811   9.8869  2898.60   81.843  2969.28  144.080  2864.93   99.444  656.181   16.203  647.441   11.334 8.740051 19.77387 
1 1 1  -18    3   62 o  371.939   8.1032  944.333   40.798  1007.07   59.018  886.917   56.460  383.781   11.348  360.096   11.570 23.68524 16.20636 
1 1 1  -18    3   63 o  376.486   5.6482  964.755   28.814  980.354   41.055  949.614   40.449  379.485   7.9835  373.487   7.9919 5.998810 11.29634 
1 1 1  -18    3   64 o  196.361   4.8982  262.217   13.033  258.226   18.394  266.243   18.470  194.856   6.9658  197.866   6.8883 -3.009811 9.796474 
1 1 1  -18    3   65 o  214.564   4.9331  313.100   14.342  318.209   20.435  308.141   20.135  216.290   6.9720  212.839   6.9809 3.450348 9.866224 
1 1 1  -18    3   66 o  115.102   5.8732   90.775   9.0687   75.614   12.762  106.241   12.889  105.288   8.9446  124.917   7.6141 -19.62882 11.74650 
1 1 1  -18    3   67 o  253.352   5.0228  436.804   17.241  424.030   24.278  449.799   24.487  249.604   7.1776  257.100   7.0283 -7.496368 10.04563 
1 1 1  -18    3   68 o  238.102   4.9769  385.756   16.054  372.848   22.518  399.098   22.894  234.043   7.0998  242.160   6.9764 -8.117706 9.953785 
1 1 1  -18    3   69 o  141.196   5.2322  135.716   10.003  143.767   14.322  128.049   13.977  145.295   7.2738  137.098   7.5230 8.196655 10.46441 
1 1 1  -18    3   70 o  124.134   5.4656  105.340   9.1440   92.258   12.873  118.661   12.990  116.290   8.1690  131.979   7.2634 -15.68880 10.93112 
1 1 1  -18    3   71 o  166.535   6.2469  195.136   13.376  170.228   21.968  209.811   16.862  157.587   10.287  175.484   7.0907 -17.89714 12.49386 
1 1 1  -18    3   72 o  164.840   6.0544  181.648   13.123  169.926   16.439  202.247   21.791  157.807   7.6871  171.873   9.3559 -14.06552 12.10884 
1 1 1  -18    3   73 o   89.475   6.5985   54.806   7.9920   58.526   11.484   51.312   11.129   92.433   9.1680   86.516   9.4926 5.917603 13.19710 
1 1 1  -18    3   74 o  212.445   4.9800  308.010   14.336  303.286   20.286  312.722   20.261  210.805   7.1014  214.085   6.9837 -3.279831 9.959970 
1 1 1  -18    3   75 o  244.901   5.0426  409.362   16.720  385.761   23.334  434.270   23.971  237.619   7.2464  252.183   7.0145 -14.56360 10.08529 
1 1 1  -18    3   76 o  157.499   6.3477  161.511   12.591  147.762   14.963  194.857   23.303  146.949   7.5141  168.048   10.233 -21.09898 12.69531 
1 1 1  -18    3   77 o  117.542   7.2048   92.048   10.923  106.741   19.118   84.928   13.309  123.966   11.381  111.118   8.8383 12.84770 14.40954 
1 1 1  -18    3   78 o  121.599   5.6069  101.553   9.2377  100.798   13.152  102.288   12.978  121.136   8.0122  122.062   7.8457 -0.9263535 11.21382 
1 1 1  -18    3   79 o  189.394   4.9798  245.911   12.781  247.355   18.143  244.488   18.006  189.944   7.0486  188.844   7.0362 1.100159 9.959515 
1 1 1  -18    3   80 o  160.117   5.0860  176.129   11.033  172.863   15.660  179.348   15.548  158.615   7.2854  161.619   7.0988 -3.004181 10.17205 
1 1 1  -18    3   81 o  110.369   5.7690   84.169   8.6228   80.429   12.153   87.961   12.237  107.859   8.3144  112.880   7.9996 -5.020737 11.53790 
1 1 1  -18    3   82 o  133.523   5.3072  122.956   9.5718  110.116   13.330  136.626   13.753  126.236   7.7921  140.811   7.2076 -14.57428 10.61439 
1 1 1  -18    3   83 o  105.859   5.7864   77.785   8.2988   78.754   11.662   76.790   11.812  106.560   8.0757  105.157   8.2892 1.402527 11.57271 
1 1 1  -18    3   84 o   63.347   9.4319   29.773   7.6506   29.070   12.915   30.153   9.4962   61.474   15.505   65.220   10.745 -3.745399 18.86374 
1 1 1  -18    3   85 o  181.659   6.9098  232.845   17.002  242.323   24.412  223.915   23.694  185.283   9.7227  178.034   9.8210 7.248993 13.81961 
1 1 1  -18    3   86 o  101.430   8.0125   74.072   11.009   76.457   15.596   71.704   15.543  103.148   11.157   99.712   11.503 3.436256 16.02491 
1 1 1  -18    3   87 o   67.563   10.531   35.688   9.3864   33.238   13.415   38.037   13.138   64.901   15.471   70.226   14.292 -5.324860 21.06236 
1 1 1  -18    4    1 o  855.731   11.302  4902.06  112.693  4835.13  129.261  5114.10  230.066  844.243   11.298  867.218   19.577 -22.97473 22.60324 
1 1 1  -18    4    2 o  976.610   12.770  6461.07  146.444  6440.17  169.041  6523.95  293.188  974.187   12.805  979.033   22.099 -4.846069 25.54037 
1 1 1  -18    4    3 o  692.882   10.015  3267.20   89.301  3285.63  110.369  3232.26  151.965  695.921   11.703  689.843   16.256 6.077881 20.03043 
1 1 1  -18    4    4 o  988.931   22.353  6656.69  299.554   0.0000   0.0000  6656.69  299.554  ?   ?   988.931   22.353      ?      ? 
1 1 1  -18    4    5 f  414.275   7.8038  1163.66   43.800  1129.59   61.285  1199.23   62.621  408.078   11.082  420.473   10.990 -12.39526 15.60758 
1 1 1  -18    4    6 o  1411.22   18.097 13565.27  299.794 13556.84  346.294 13590.46  598.958  1412.42   18.093  1410.02   31.346 2.395996 36.19308 
1 1 1  -18    4    7 o  961.438   12.563  6156.72  139.922  6045.16  159.890  6521.57  289.147  943.893   12.500  978.982   21.795 -35.08929 25.12539 
1 1 1  -18    4    8 o  827.912   11.020  4702.39  108.348  4755.35  126.262  4554.47  211.019  837.286   11.128  818.538   19.024 18.74805 22.03958 
1 1 1  -18    4    9 o  465.576   6.9896  1499.63   39.065  1535.66   45.950  1405.72   74.192  475.961   7.1241  455.190   12.028 20.77167 13.97918 
1 1 1  -18    4   10 o  857.212   11.452  4984.71  133.029  4984.71  133.029   0.0000   0.0000  857.212   11.452  ?   ?       ?      ? 
1 1 1  -18    4   11 o  953.989   15.393  6179.64  198.997  6179.64  198.997   0.0000   0.0000  953.989   15.393  ?   ?       ?      ? 
1 1 1  -18    4   12 o  1387.55   18.884 12959.74  331.074 13596.99  592.300 12670.17  399.273  1410.50   30.987  1364.60   21.592 45.90540 37.76789 
1 1 1  -18    4   13 f  427.501   11.396  1239.76   66.020  1239.76   66.020   0.0000   0.0000  427.501   11.396  ?   ?       ?      ? 
1 1 1  -18    4   14 o  1001.70   13.877  6672.21  174.579  7221.38  318.186  6435.69  208.816  1029.93   22.798  973.477   15.829 56.45264 27.75421 
1 1 1  -18    4   15 o  698.395   11.681  3309.02  110.555   0.0000   0.0000  3309.02  110.555  ?   ?   698.395   11.681      ?      ? 
1 1 1  -18    4   16 o  989.420   11.223  6645.38  150.435  6786.10  215.840  6512.44  209.783  999.592   15.934  979.248   15.809 20.34430 22.44568 
1 1 1  -18    4   17 o  873.486   10.034  5176.22  118.730  5304.04  170.683  5056.38  165.268  883.921   14.249  863.051   14.131 20.86981 20.06800 
1 1 1  -18    4   18 o  687.915   8.1811  3209.29   76.249  3269.13  109.245  3152.45  106.474  694.162   11.613  681.668   11.526 12.49353 16.36226 
1 1 1  -18    4   19 o  968.293   11.023  6366.91  144.630  6435.36  206.146  6300.57  202.967  973.412   15.628  963.175   15.550 10.23688 22.04623 
1 1 1  -18    4   20 o  438.957   5.8855  1306.45   35.009  1295.24   49.455  1317.72   49.565  437.068   8.3499  440.847   8.2967 -3.779694 11.77098 
1 1 1  -18    4   21 f  136.077   4.4660  125.333   8.2286  130.082   11.935  121.030   11.361  138.530   6.3575  133.624   6.2738 4.906128 8.931905 
1 1 1  -18    4   22 o  209.204   5.6446  299.310   14.732  290.127   26.471  303.430   17.732  206.832   9.4443  211.576   6.1846 -4.744278 11.28914 
1 1 1  -18    4   23 o  366.055   6.6027  908.109   30.604  910.573   53.974  906.941   37.154  366.361   10.872  365.750   7.4962 0.6114807 13.20548 
1 1 1  -18    4   24 o  339.521   5.1335  781.533   23.618  772.905   33.394  790.169   33.408  337.645   7.2983  341.397   7.2212 -3.752106 10.26697 
1 1 1  -18    4   25 o  615.787   7.5073  2572.25   62.643  2597.15   89.222  2548.05   87.971  618.723   10.641  612.851   10.593 5.872742 15.01469 
1 1 1  -18    4   26 o  592.657   7.2942  2382.47   58.577  2410.13   83.527  2355.70   82.171  596.040   10.341  589.275   10.290 6.765625 14.58849 
1 1 1  -18    4   27 o  733.745   8.6610  3652.21   86.090  3743.15  123.709  3566.81  119.880  742.592   12.293  724.898   12.204 17.69348 17.32207 
1 1 1  -18    4   28 o  534.308   8.3672  1949.91   57.127  1975.03   70.216  1900.72   98.252  539.588   9.6026  529.028   13.705 10.56012 16.73432 
1 1 1  -18    4   29 o  323.034   6.3294  708.868   25.905  710.859   31.500  704.708   45.534  323.796   7.1788  322.273   10.426 1.522552 12.65878 
1 1 1  -18    4   30 o  594.145   7.3259  2393.87   58.966  2456.62   84.669  2334.77   82.168  601.699   10.384  586.591   10.337 15.10754 14.65176 
1 1 1  -18    4   31 o  619.866   7.5685  2607.47   63.575  2619.25   90.231  2595.86   89.589  621.255   10.718  618.477   10.689 2.777710 15.13708 
1 1 1  -18    4   32 o  612.279   7.5086  2541.44   62.266  2630.09   89.876  2459.62   86.345  622.532   10.654  602.026   10.584 20.50671 15.01724 
1 1 1  -18    4   33 o  415.986   6.9603  1168.83   37.161  1157.72   45.623  1190.72   64.055  413.156   8.1487  418.815   11.286 -5.659393 13.92054 
1 1 1  -18    4   34 o  289.419   5.8557  565.292   21.911  558.732   27.106  577.660   37.219  287.053   6.9681  291.785   9.4128 -4.731781 11.71138 
1 1 1  -18    4   35 o  686.543   8.2314  3200.09   76.573  3243.26  109.249  3158.41  107.358  691.090   11.665  681.996   11.616 9.094177 16.46271 
1 1 1  -18    4   36 o  372.138   5.4601  939.039   27.531  954.032   39.370  924.690   38.513  375.043   7.7464  369.233   7.6971 5.809967 10.92024 
1 1 1  -18    4   37 o  372.272   5.4693  940.024   27.590  942.124   39.240  937.972   38.801  372.682   7.7697  371.863   7.6997 0.8185120 10.93859 
1 1 1  -18    4   38 o  800.227   9.3663  4352.92  101.560  4409.35  144.897  4298.43  142.390  805.317   13.277  795.137   13.215 10.18054 18.73267 
1 1 1  -18    4   39 o  582.833   8.8971  2279.49   65.607  2391.96  117.123  2228.06   79.198  592.847   14.579  572.819   10.203 20.02826 17.79416 
1 1 1  -18    4   40 o  293.955   6.1655  592.667   23.100  567.971   39.751  605.258   28.384  289.195   10.143  298.715   7.0120 -9.519958 12.33099 
1 1 1  -18    4   41 o  566.728   8.7127  2166.49   62.766  2234.68  110.598  2134.09   76.230  572.910   14.246  560.546   10.035 12.36365 17.42539 
1 1 1  -18    4   42 o  289.135   6.1384  564.703   22.545  575.629   39.674  559.492   27.399  291.096   10.057  287.175   7.0404 3.920807 12.27674 
1 1 1  -18    4   43 o  398.633   6.9877  1067.01   35.326  1115.09   62.724  1044.68   42.752  404.954   11.430  392.313   8.0415 12.64139 13.97532 
1 1 1  -18    4   44 o  263.654   6.0592  462.474   20.238  446.113   24.389  498.652   36.265  256.410   7.0189  270.898   9.8787 -14.48837 12.11836 
1 1 1  -18    4   45 o  900.669   12.881  5607.15  149.167  5731.23  185.088  5377.22  251.963  916.544   14.902  884.793   21.014 31.75122 25.76161 
1 1 1  -18    4   46 o  366.681   6.7759  907.364   31.501  895.818   38.186  931.958   55.732  363.247   7.7574  370.115   11.112 -6.868256 13.55170 
1 1 1  -18    4   47 o  222.541   4.7158  336.012   14.220  340.623   20.313  331.580   19.913  224.037   6.6906  221.045   6.6476 2.991882 9.431575 
1 1 1  -18    4   48 o  264.458   4.8714  474.703   17.457  466.533   24.616  482.969   24.760  262.166   6.9288  266.750   6.8495 -4.583374 9.742901 
1 1 1  -18    4   49 o  193.186   4.7015  253.356   12.301  242.602   17.338  264.256   17.455  189.051   6.7677  197.320   6.5279 -8.269272 9.402915 
1 1 1  -18    4   50 o  603.928   7.5105  2482.62   61.463  2506.95   87.482  2458.89   86.373  606.846   10.638  601.010   10.605 5.836060 15.02107 
1 1 1  -18    4   51 o  341.166   5.3284  790.619   24.634  786.010   34.850  795.222   34.826  340.169   7.5600  342.163   7.5109 -1.993256 10.65685 
1 1 1  -18    4   52 o  216.140   4.7293  317.169   13.847  305.502   19.476  329.095   19.691  212.115   6.7756  220.165   6.5997 -8.050293 9.458635 
1 1 1  -18    4   53 o  177.379   4.7089  213.636   11.319  215.092   16.072  212.202   15.943  177.979   6.6639  176.780   6.6550 1.199265 9.417843 
1 1 1  -18    4   54 o  236.360   5.7876  385.845   17.712  401.643   22.261  358.591   29.238  243.186   6.7551  229.534   9.3998 13.65227 11.57530 
1 1 1  -18    4   55 o  185.787   5.6075  229.916   13.582  218.187   16.839  251.755   22.978  179.217   6.9337  192.358   8.8148 -13.14066 11.21506 
1 1 1  -18    4   56 o  511.811   8.1914  1773.02   53.296  1832.49   93.904  1744.75   64.732  517.443   13.392  506.179   9.4369 11.26404 16.38272 
1 1 1  -18    4   57 o  439.733   6.0958  1315.63   36.320  1336.02   51.855  1295.99   50.889  443.074   8.6363  436.392   8.6052 6.681488 12.19162 
1 1 1  -18    4   58 o  143.504   4.9996  139.966   9.7219  142.122   13.776  137.827   13.721  144.607   7.0301  142.401   7.1105 2.206726 9.999107 
1 1 1  -18    4   59 o  234.673   4.8787  374.278   15.514  367.973   21.865  380.671   22.016  232.679   6.9343  236.667   6.8646 -3.987976 9.757418 
1 1 1  -18    4   60 o  154.693   6.1268  159.749   12.030  172.101   21.467  154.094   14.525  158.840   9.9731  150.547   7.1197 8.292465 12.25367 
1 1 1  -18    4   61 o  304.631   7.5011  633.889   30.960  645.716   43.686  621.954   43.883  307.514   10.483  301.747   10.732 5.767029 15.00229 
1 1 1  -18    4   62 o  224.408   6.1506  341.418   17.373  338.553   20.951  347.726   31.085  223.136   6.9287  225.681   10.164 -2.544815 12.30114 
1 1 1  -18    4   63 o  157.594   5.0050  168.984   10.684  163.168   15.118  174.785   15.099  154.874   7.2036  160.314   6.9503 -5.440475 10.00993 
1 1 1  -18    4   64 o  309.891   5.2544  653.558   22.062  639.395   31.121  667.868   31.281  306.504   7.4927  313.277   7.3683 -6.773285 10.50874 
1 1 1  -18    4   65 o  512.677   6.7841  1793.71   47.121  1833.58   67.540  1755.89   65.774  518.217   9.6176  507.137   9.5708 11.07944 13.56828 
1 1 1  -18    4   66 o  304.846   5.2312  632.519   21.606  613.416   30.336  652.185   30.779  300.165   7.4578  309.528   7.3378 -9.363739 10.46246 
1 1 1  -18    4   67 o  179.316   4.9717  218.720   12.075  228.610   17.280  209.283   16.880  183.283   6.9575  175.348   7.1039 7.934692 9.943436 
1 1 1  -18    4   68 o  322.971   5.3341  710.531   23.344  697.973   32.832  723.370   33.197  320.080   7.5693  325.863   7.5177 -5.783325 10.66814 
1 1 1  -18    4   69 o   85.145   6.7041   49.629   7.7175   53.664   10.942   45.634   10.887   88.622   9.1107   81.667   9.8374 6.955521 13.40814 
1 1 1  -18    4   70 o   88.126   6.7744   52.987   8.0542   60.376   11.720   46.375   11.087   93.964   9.2041   82.289   9.9425 11.67551 13.54877 
1 1 1  -18    4   71 o  291.450   7.2420  582.039   28.585  599.570   41.330  565.964   39.576  295.626   10.317  287.274   10.166 8.352753 14.48401 
1 1 1  -18    4   72 o  133.449   5.5378  121.535   9.9965  111.742   13.941  131.899   14.342  127.891   8.0440  139.008   7.6135 -11.11653 11.07569 
1 1 1  -18    4   73 o  239.373   5.0425  390.922   16.355  398.443   23.345  383.672   22.920  241.634   7.1293  237.112   7.1332 4.522247 10.08509 
1 1 1  -18    4   74 o  189.525   4.9976  245.282   12.833  239.880   18.126  250.712   18.172  187.418   7.1369  191.632   6.9977 -4.214096 9.995162 
1 1 1  -18    4   75 o   95.542   6.3375   63.034   8.1504   70.572   11.446   55.282   11.608  101.456   8.3253   89.628   9.5574 11.82764 12.67493 
1 1 1  -18    4   76 o  221.887   7.4117  340.452   22.276  354.942   31.742  326.391   31.268  226.600   10.337  217.174   10.624 9.425949 14.82341 
1 1 1  -18    4   77 o   58.381   10.984   24.728   8.2492   25.090   15.568   24.587   9.7270   58.554   17.933   58.208   12.689 0.3465462 21.96850 
1 1 1  -18    4   78 o   84.818   6.5587   49.876   7.5117   47.060   10.880   52.441   10.384   82.438   9.7388   87.198   8.7878 -4.759766 13.11749 
1 1 1  -18    4   79 o  118.486   5.5081   96.480   8.8262  105.300   12.717   88.282   12.260  123.752   7.5830  113.220   7.9908 10.53200 11.01612 
1 1 1  -18    4   80 o  103.706   6.0506   74.433   8.2915   97.558   12.150   54.281   11.343  119.032   7.5326   88.380   9.4709 30.65205 12.10113 
1 1 1  -18    4   81 o  158.285   5.1013  172.557   10.941  172.583   15.597  172.533   15.352  158.276   7.2716  158.294   7.1566 -0.1792908E-01 10.20262 
1 1 1  -18    4   82 o   65.684   7.8005   30.896   6.7596   34.739   9.6916   27.256   9.4328   70.339   10.168   61.029   11.833 9.310085 15.60110 
1 1 1  -18    4   83 o  119.471   7.5409  100.695   12.186  109.602   17.715   92.695   16.789  124.551   10.495  114.390   10.831 10.16072 15.08176 
1 1 1  -18    4   84 f  126.769   10.118  113.658   17.381   0.0000   0.0000  113.658   17.381  ?   ?   126.769   10.118      ?      ? 
1 1 1  -18    4   85 o   41.537   11.140   9.9847   8.5341   14.988   13.552   6.6964   10.986   46.217   16.770   36.857   14.669 9.359161 22.27990 
1 1 1  -18    4   86 o   63.827   10.757   31.911   9.2034   36.136   13.173   27.883   12.863   68.292   14.672   59.362   15.736 8.929440 21.51473 
1 1 1  -18    4   87 o  145.441   7.2491  151.650   14.251  166.408   20.496  137.834   19.830  152.548   9.9145  138.333   10.578 14.21471 14.49811 
1 1 1  -18    4   88 o   81.967   12.470   49.821   13.851   49.821   13.851   0.0000   0.0000   81.967   12.470  ?   ?       ?      ? 
1 1 1  -18    4   89 o   43.454   15.412   14.078   11.374   14.078   11.374   0.0000   0.0000   43.454   15.412  ?   ?       ?      ? 
1 1 1  -18    5    1 f  292.821   4.6933  581.156   18.622  590.200   26.518  572.356   26.157  295.068   6.6319  290.573   6.6427 4.494904 9.386530 
1 1 1  -18    5    2 o  802.751   9.3337  4373.15  101.523  4446.79  144.981  4302.29  142.209  809.378   13.218  796.124   13.181 13.25427 18.66750 
1 1 1  -18    5    3 o  1124.43   14.603  8715.03  195.281  8839.44  227.959  8372.03  378.525  1140.91   14.744  1107.95   25.211 32.95496 29.20605 
1 1 1  -18    5    4 o  713.520   10.278  3480.55   94.714  3536.65  117.852  3378.22  159.160  721.935   12.046  705.105   16.657 16.83038 20.55657 
1 1 1  -18    5    5 o  749.000   10.718  3835.90  103.645  3897.44  128.926  3723.48  174.267  757.823   12.554  740.178   17.374 17.64496 21.43504 
1 1 1  -18    5    6 o  706.769   9.5982  3422.33   80.694  3457.35   94.092  3324.97  156.901  713.985   9.7248  699.553   16.551 14.43256 19.19643 
1 1 1  -18    5    7 o  898.188   11.891  5610.32  128.173  5768.14  150.931  5202.13  242.731  921.987   12.080  874.389   20.485 47.59790 23.78165 
1 1 1  -18    5    8 o  518.399   7.5062  1843.95   46.526  1868.28   54.445  1778.10   89.581  524.949   7.6534  511.848   12.915 13.10117 15.01237 
1 1 1  -18    5    9 o  1153.75   14.993  9243.66  206.966  9463.17  243.026  8664.20  394.853  1180.44   15.192  1127.06   25.853 53.37952 29.98623 
1 1 1  -18    5   10 o  517.678   7.6134  1816.87   53.410  1816.87   53.410   0.0000   0.0000  517.678   7.6134  ?   ?       ?      ? 
1 1 1  -18    5   11 o  915.837   12.100  5691.47  150.174  5691.47  150.174   0.0000   0.0000  915.837   12.100  ?   ?       ?      ? 
1 1 1  -18    5   12 o  721.703   9.7659  3530.32   83.176  3524.53   96.287  3547.32  165.104  720.879   9.8564  722.528   16.862 -1.648193 19.53181 
1 1 1  -18    5   13 o  765.444   10.254  3917.27   91.586  3859.76  105.094  4098.85  186.737  754.348   10.281  776.540   17.745 -22.19250 20.50830 
1 1 1  -18    5   14 o  725.726   8.5437  3571.36   83.991  3667.12  120.862  3481.92  116.804  735.123   12.132  716.328   12.033 18.79486 17.08749 
1 1 1  -18    5   15 o  1147.38   12.880  8945.82  200.200  9144.72  287.453  8758.46  278.987  1159.74   18.290  1135.02   18.138 24.72473 25.75930 
1 1 1  -18    5   16 o  787.235   9.1769  4195.68   97.763  4418.60  142.925  3999.68  134.020  806.824   13.072  767.645   12.883 39.17920 18.35374 
1 1 1  -18    5   17 o  294.398   4.8041  587.385   19.161  594.087   27.459  581.024   26.751  296.034   6.8447  292.763   6.7429 3.270538 9.608155 
1 1 1  -18    5   18 o  659.066   7.9036  2947.09   70.589  2939.14   99.804  2955.05   99.851  658.175   11.190  659.957   11.165 -1.781128 15.80721 
1 1 1  -18    5   19 o  763.030   8.9262  3951.01   92.287  4002.39  131.740  3901.50  129.321  767.896   12.660  758.164   12.587 9.732239 17.85237 
1 1 1  -18    5   20 o  850.792   9.8387  4904.74  113.304  5139.01  165.118  4696.27  155.763  869.938   14.006  831.645   13.821 38.29395 19.67741 
1 1 1  -18    5   21 o  955.560   10.894  6200.83  141.031  6327.21  202.236  6081.19  196.773  965.024   15.465  946.096   15.348 18.92804 21.78786 
1 1 1  -18    5   22 o  940.522   13.192  5999.81  157.906  6071.03  276.308  5965.27  192.425  944.006   21.599  937.038   15.154 6.968445 26.38484 
1 1 1  -18    5   23 o  186.315   4.5004  235.391   11.357  232.820   16.267  237.836   15.863  185.321   6.4776  187.310   6.2495 -1.988800 9.000846 
1 1 1  -18    5   24 o  669.832   8.0253  3044.27   72.838  3087.50  103.967  3002.60  102.076  674.499   11.374  665.166   11.324 9.333069 16.05053 
1 1 1  -18    5   25 o  359.711   5.3004  877.323   25.836  866.512   36.449  888.241   36.627  357.482   7.5240  361.939   7.4677 -4.456360 10.60080 
1 1 1  -18    5   26 o  643.810   7.7926  2806.83   67.908  2947.01   98.943  2682.00   93.373  658.968   11.080  628.652   10.960 30.31598 15.58514 
1 1 1  -18    5   27 o  462.344   6.1299  1449.76   38.405  1434.56   54.075  1465.22   54.553  459.899   8.6766  464.789   8.6613 -4.889313 12.25976 
1 1 1  -18    5   28 o  298.927   6.1307  604.442   23.217  601.483   28.175  610.702   40.982  297.845   6.9805  300.009   10.080 -2.164398 12.26130 
1 1 1  -18    5   29 o  338.325   6.4462  773.617   27.587  768.553   33.417  784.452   48.882  336.664   7.3247  339.987   10.610 -3.323120 12.89248 
1 1 1  -18    5   30 o  406.742   6.9090  1136.42   36.352  1171.42   45.501  1074.65   60.444  415.598   8.0791  397.886   11.210 17.71167 13.81801 
1 1 1  -18    5   31 o  611.576   9.1566  2566.68   72.296  2629.29   90.125  2453.68  121.078  622.393   10.686  600.760   14.872 21.63361 18.31317 
1 1 1  -18    5   32 o  615.163   7.5415  2568.75   62.868  2564.37   88.912  2573.13   88.906  614.637   10.675  615.689   10.656 -1.051270 15.08304 
1 1 1  -18    5   33 o  407.529   5.7258  1126.26   31.616  1142.44   45.189  1110.75   44.250  410.393   8.1256  404.665   8.0693 5.727814 11.45158 
1 1 1  -18    5   34 o  1130.61   12.762  8710.51  195.519  8778.70  278.059  8643.81  274.978  1134.97   18.079  1126.24   18.017 8.731445 25.52363 
1 1 1  -18    5   35 o  634.244   7.7409  2731.58   66.530  2752.53   94.560  2711.03   93.623  636.651   10.960  631.837   10.934 4.813965 15.48188 
1 1 1  -18    5   36 o  261.113   4.7895  462.110   16.942  474.444   24.323  450.485   23.613  264.495   6.7859  257.731   6.7609 6.764038 9.579096 
1 1 1  -18    5   37 o  172.888   4.6786  202.338   10.950  211.501   15.921  194.112   15.085  176.594   6.6529  169.181   6.5798 7.413498 9.357116 
1 1 1  -18    5   38 o  118.859   5.0818   95.918   8.1696   94.389   11.875   97.292   11.256  117.955   7.4294  119.764   6.9356 -1.809502 10.16362 
1 1 1  -18    5   39 o  515.630   9.3849  1805.28   65.577   0.0000   0.0000  1805.28   65.577  ?   ?   515.630   9.3849      ?      ? 
1 1 1  -18    5   40 o  698.848   10.255  3306.86   91.147  3385.13  160.127  3269.35  110.859  704.297   16.777  693.400   11.798 10.89691 20.51033 
1 1 1  -18    5   41 o  586.920   7.3156  2338.95   58.159  2406.64   83.778  2275.98   80.801  595.103   10.389  578.737   10.303 16.36615 14.63111 
1 1 1  -18    5   42 o  226.928   4.7234  349.312   14.522  352.166   20.789  346.593   20.294  227.831   6.7336  226.026   6.6257 1.805008 9.446734 
1 1 1  -18    5   43 o  360.961   5.4253  884.183   26.534  899.289   37.916  869.685   37.145  363.980   7.6871  357.942   7.6579 6.038635 10.85053 
1 1 1  -18    5   44 o  281.088   4.9390  536.170   18.812  539.026   26.782  533.390   26.430  281.825   7.0126  280.351   6.9569 1.473480 9.877948 
1 1 1  -18    5   45 o  437.247   7.4404  1290.07   41.209  1271.77   49.897  1329.34   73.086  432.696   8.5096  441.797   12.208 -9.100952 14.88078 
1 1 1  -18    5   46 o  356.813   5.4172  864.505   26.193  857.349   36.997  871.697   37.088  355.331   7.6834  358.296   7.6386 -2.965454 10.83430 
1 1 1  -18    5   47 o  635.924   7.8146  2752.90   67.341  2769.16   95.705  2736.96   94.771  637.778   11.073  634.071   11.029 3.706726 15.62913 
1 1 1  -18    5   48 o  254.539   6.0536  449.794   19.623  411.585   33.382  469.968   24.257  245.962   10.015  263.117   6.8030 -17.15506 12.10724 
1 1 1  -18    5   49 o  464.369   8.9717  1470.09   56.428  1439.00   78.287  1503.72   81.408  459.289   12.578  469.448   12.797 -10.15918 17.94344 
1 1 1  -18    5   50 o  163.747   6.0658  178.947   12.477  173.650   14.946  191.128   22.665  159.918   6.8968  167.576   9.9806 -7.658783 12.13170 
1 1 1  -18    5   51 o  281.497   4.9818  537.728   18.995  560.537   27.279  516.262   26.465  287.290   7.0070  275.704   7.0833 11.58624 9.963513 
1 1 1  -18    5   52 o  335.010   5.3098  761.381   24.086  801.362   34.835  724.755   33.341  343.426   7.4850  326.593   7.5333 16.83319 10.61963 
1 1 1  -18    5   53 o  407.546   7.0637  1137.28   37.138  1151.36   46.115  1111.30   62.645  411.487   8.2699  403.605   11.454 7.881714 14.12732 
1 1 1  -18    5   54 o  233.520   4.8511  370.431   15.350  363.701   21.645  377.240   21.771  231.382   6.9032  235.657   6.8175 -4.274872 9.702134 
1 1 1  -18    5   55 o  282.600   6.1482  545.033   22.190  538.759   38.332  548.196   27.214  281.166   10.061  284.033   7.0703 -2.867126 12.29644 
1 1 1  -18    5   56 o  125.571   5.2251  107.023   8.8793  115.204   12.813   99.464   12.316  130.188   7.2628  120.954   7.5140 9.234032 10.45026 
1 1 1  -18    5   57 o  343.128   5.3901  800.574   25.062  808.348   35.688  793.011   35.202  344.769   7.6385  341.488   7.6070 3.281189 10.78022 
1 1 1  -18    5   58 f  231.339   4.8949  363.701   15.343  367.224   21.909  360.311   21.494  232.434   6.9558  230.243   6.8889 2.191254 9.789769 
1 1 1  -18    5   59 o  594.470   9.1789  2388.81   69.019  2515.27  123.265  2331.06   83.301  604.608   15.045  584.332   10.520 20.27618 18.35777 
1 1 1  -18    5   60 o  384.370   8.1860  1010.46   42.628  1042.32   60.681  979.405   59.897  390.386   11.470  378.354   11.682 12.03192 16.37199 
1 1 1  -18    5   61 o  113.912   7.2579   91.207   10.171   95.191   12.224   82.242   18.336  118.272   7.6266  109.552   12.351 8.720688 14.51574 
1 1 1  -18    5   62 o  416.464   5.9570  1181.45   33.616  1195.70   47.946  1167.68   47.145  418.928   8.4455  414.000   8.4033 4.927887 11.91398 
1 1 1  -18    5   63 o  185.874   5.0074  235.118   12.607  227.550   17.853  242.645   17.806  182.876   7.2039  188.871   6.9571 -5.994888 10.01487 
1 1 1  -18    5   64 o  212.654   4.9763  307.647   14.337  298.619   20.169  316.869   20.384  209.492   7.1045  215.816   6.9700 -6.323700 9.952608 
1 1 1  -18    5   65 o  316.606   5.3018  682.497   22.747  685.899   32.258  679.133   32.081  317.390   7.4999  315.821   7.4960 1.568695 10.60368 
1 1 1  -18    5   66 o  237.405   4.9990  383.620   16.082  383.995   22.825  383.250   22.664  237.517   7.0913  237.293   7.0481 0.2239380 9.998074 
1 1 1  -18    5   67 o  259.156   5.0675  456.870   17.788  475.667   25.598  439.318   24.736  264.309   7.1469  254.003   7.1862 10.30617 10.13506 
1 1 1  -18    5   68 o  158.847   5.1050  171.869   10.988  172.620   15.634  171.135   15.448  159.187   7.2474  158.507   7.1917 0.6797485 10.21009 
1 1 1  -18    5   69 o   53.346   8.9998   20.320   7.0614   8.3368   10.197   31.360   9.7880   39.081   14.486   67.611   10.683 -28.52987 17.99962 
1 1 1  -18    5   70 o  324.812   7.5355  724.528   33.161  706.125   46.859  742.991   46.935  320.628   10.785  328.996   10.527 -8.368439 15.07104 
1 1 1  -18    5   71 o  346.534   6.7641  838.570   30.363  880.580   38.310  767.606   49.792  359.074   7.8732  333.995   11.001 25.07938 13.52820 
1 1 1  -18    5   72 o  110.668   5.8845   83.771   8.8217   87.056   12.586   80.598   12.369  112.812   8.2326  108.525   8.4104 4.287048 11.76904 
1 1 1  -18    5   73 o  142.920   7.4210  139.585   14.373  139.585   14.373   0.0000   0.0000  142.920   7.4210  ?   ?       ?      ? 
1 1 1  -18    5   74 o  112.526   5.7607   86.776   8.7834   85.511   12.440   88.034   12.403  111.696   8.2185  113.355   8.0745 -1.658356 11.52136 
1 1 1  -18    5   75 o  117.005   7.0619   87.713   10.489   76.557   12.488  114.430   19.326  105.539   8.7320  128.470   11.101 -22.93040 14.12386 
1 1 1  -18    5   76 f  101.162   7.6342   68.254   9.7341   78.658   17.822   63.831   11.620  106.057   12.401   96.266   8.9076 9.790771 15.26830 
1 1 1  -18    5   77 o   93.099   6.3331   60.092   7.9477   54.006   11.370   65.907   11.114   88.363   9.4953   97.835   8.3827 -9.472099 12.66612 
1 1 1  -18    5   78 o   61.025   8.5705   26.997   6.8370   28.153   9.7684   25.888   9.5724   62.370   11.993   59.680   12.247 2.689899 17.14101 
1 1 1  -18    5   79 o  158.876   6.1313  176.347   12.632  180.799   15.852  168.601   20.909  162.160   7.2136  155.592   9.9165 6.568039 12.26265 
1 1 1  -18    5   80 o  120.461   6.7513   97.509   10.382  112.041   18.528   90.858   12.534  126.288   10.826  114.633   8.0688 11.65471 13.50253 
1 1 1  -18    5   81 o   96.467   6.0577   64.722   7.9068   63.371   11.427   65.963   10.952   95.424   8.8371   97.511   8.2878 -2.087013 12.11537 
1 1 1  -18    5   82 o  156.864   6.2809  172.185   12.591  170.425   21.666  173.083   15.471  155.473   10.284  158.255   7.2142 -2.782028 12.56182 
1 1 1  -18    5   83 o   83.014   7.9214   45.693   8.4466   60.647   15.176   38.981   10.167   91.763   12.204   74.264   10.103 17.49927 15.84280 
1 1 1  -18    5   84 o  108.681   7.9548   84.336   11.686   90.953   17.280   78.759   15.864  112.548   11.330  104.815   11.169 7.733070 15.90957 
1 1 1  -18    5   85 f   87.181   8.7903   55.702   10.351   51.916   14.827   59.302   14.456   83.968   13.031   90.393   11.802 -6.424721 17.58053 
1 1 1  -18    5   86 o  162.738   7.0055  189.219   15.445  190.358   22.127  188.137   21.569  163.128   10.009  162.348   9.8040 0.7802124 14.01101 
1 1 1  -18    5   87 f   98.805   11.501   71.397   15.400   71.397   15.400   0.0000   0.0000   98.805   11.501  ?   ?       ?      ? 
1 1 1  -18    5   88 f  110.181   10.931   88.556   16.322   88.556   16.322   0.0000   0.0000  110.181   10.931  ?   ?       ?      ? 
1 1 1  -18    6    1 o  351.131   5.1381  835.947   24.448  831.980   34.594  839.904   34.556  350.298   7.2876  351.964   7.2451 -1.665558 10.27615 
1 1 1  -18    6    2 o  605.263   7.3721  2481.75   60.419  2585.58   87.566  2387.39   83.472  617.326   10.467  593.201   10.384 24.12457 14.74412 
1 1 1  -18    6    3 o  521.665   9.3360  1845.82   65.999  1845.82   65.999   0.0000   0.0000  521.665   9.3360  ?   ?       ?      ? 
1 1 1  -18    6    4 o  555.746   8.3702  2073.38   59.698  2026.98   73.067  2166.55  103.535  546.636   9.8638  564.855   13.526 -18.21918 16.74049 
1 1 1  -18    6    5 o  464.823   11.840  1466.37   74.582   0.0000   0.0000  1466.37   74.582  ?   ?   464.823   11.840      ?      ? 
1 1 1  -18    6    6 o  637.258   8.7718  2743.59   66.014  2730.25   76.385  2782.96  131.209  634.490   8.8839  640.027   15.128 -5.536194 17.54369 
1 1 1  -18    6    7 o  906.135   11.924  5553.94  126.893  5526.19  146.421  5637.66  254.320  902.351   11.974  909.919   20.625 -7.568542 23.84898 
1 1 1  -18    6    8 o  597.516   8.3090  2354.36   57.814  2291.92   66.094  2557.75  119.294  581.362   8.3894  613.671   14.345 -32.30859 16.61810 
1 1 1  -18    6    9 o  1103.73   14.361  8409.88  188.681  8541.87  220.455  8048.44  364.816  1121.43   14.507  1086.03   24.789 35.40198 28.72130 
1 1 1  -18    6   10 f  584.913   8.3531  2319.99   66.210  2319.99   66.210   0.0000   0.0000  584.913   8.3531  ?   ?       ?      ? 
1 1 1  -18    6   11 o  892.449   11.846  5405.38  143.261  5405.38  143.261   0.0000   0.0000  892.449   11.846  ?   ?       ?      ? 
1 1 1  -18    6   12 o  617.022   8.6339  2640.32   64.019  2709.53   75.400  2461.53  121.184  632.083   8.8026  601.961   14.856 30.12262 17.26782 
1 1 1  -18    6   13 o  476.696   7.4836  1538.38   45.857  1531.22   56.458  1552.27   78.610  475.167   8.7680  478.225   12.130 -3.057831 14.96711 
1 1 1  -18    6   14 o  545.420   7.8150  2030.90   50.826  2044.74   59.289  1992.54   98.711  549.135   7.9673  541.705   13.447 7.430603 15.63001 
1 1 1  -18    6   15 o  522.595   7.5470  1838.16   46.682  1822.75   54.033  1883.52   92.703  518.482   7.6903  526.708   12.988 -8.225708 15.09401 
1 1 1  -18    6   16 o  614.730   8.6031  2588.44   63.116  2615.00   73.728  2515.60  122.110  620.950   8.7618  608.510   14.808 12.44092 17.20612 
1 1 1  -18    6   17 o  355.579   5.2253  857.085   25.174  835.011   35.342  879.820   35.867  350.931   7.4316  360.227   7.3475 -9.295593 10.45052 
1 1 1  -18    6   18 o  732.188   8.6306  3639.14   85.633  3652.77  121.440  3625.67  120.769  733.550   12.217  730.826   12.194 2.724243 17.26111 
1 1 1  -18    6   19 o  411.260   5.6586  1146.96   31.535  1143.07   44.692  1150.81   44.503  410.565   8.0328  411.955   7.9719 -1.389740 11.31713 
1 1 1  -18    6   20 o  210.722   4.4432  301.150   12.682  294.938   18.081  307.167   17.793  208.580   6.3967  212.865   6.1684 -4.284409 8.886334 
1 1 1  -18    6   21 o  538.032   8.3565  1960.34   57.092  1978.59  100.294  1951.59   69.441  539.707   13.713  536.357   9.5539 3.349792 16.71300 
1 1 1  -18    6   22 o  619.387   9.2883  2604.55   73.217  2608.25  127.808  2602.75   89.327  619.466   15.225  619.308   10.644 0.1578979 18.57656 
1 1 1  -18    6   23 o  527.615   6.6869  1888.38   47.808  1864.50   67.314  1912.68   67.913  524.249   9.4751  530.980   9.4382 -6.731689 13.37372 
1 1 1  -18    6   24 o  982.356   11.181  6560.03  148.821  6655.08  212.573  6468.66  208.419  989.323   15.856  975.388   15.768 13.93597 22.36148 
1 1 1  -18    6   25 o  489.240   7.7458  1648.49   49.114  1711.67   61.750  1539.70   81.030  502.318   9.0715  476.161   12.558 26.15659 15.49150 
1 1 1  -18    6   26 o  335.006   6.1678  763.289   26.747  768.142   33.283  754.443   44.940  336.569   7.2975  333.443   9.9455 3.126556 12.33559 
1 1 1  -18    6   27 o  770.048   12.793  4027.83  133.497  4027.83  133.497   0.0000   0.0000  770.048   12.793  ?   ?       ?      ? 
1 1 1  -18    6   28 o  599.851   9.1329  2431.88   69.467  2409.10   84.284  2480.14  122.667  595.767   10.440  603.935   14.988 -8.168091 18.26579 
1 1 1  -18    6   29 o  173.083   4.5641  202.886   10.699  210.649   15.451  195.736   14.829  176.260   6.4687  169.907   6.4405 6.353088 9.128190 
1 1 1  -18    6   30 o  291.914   4.9002  577.461   19.378  594.205   27.847  561.742   26.982  296.013   6.9419  287.815   6.9179 8.198669 9.800376 
1 1 1  -18    6   31 o  555.599   6.9930  2095.25   52.651  2101.92   74.660  2088.66   74.260  556.477   9.9005  554.721   9.8787 1.755859 13.98599 
1 1 1  -18    6   32 o  515.230   6.6317  1801.60   46.301  1784.93   65.231  1818.54   65.732  512.827   9.3864  517.633   9.3707 -4.806702 13.26331 
1 1 1  -18    6   33 o  350.033   5.3007  831.132   25.142  828.818   35.701  833.408   35.413  349.548   7.5370  350.519   7.4554 -0.9708862 10.60137 
1 1 1  -18    6   34 o  675.456   8.1253  3099.57   74.368  3131.67  105.988  3068.45  104.375  678.895   11.521  672.017   11.461 6.877991 16.25063 
1 1 1  -18    6   35 o  436.746   5.9730  1294.54   35.351  1289.58   50.121  1299.44   49.866  435.911   8.4848  437.582   8.4094 -1.670288 11.94610 
1 1 1  -18    6   36 o  637.762   9.4964  2751.85   77.096  2813.88  135.181  2721.95   93.857  642.602   15.524  632.921   10.943 9.681152 18.99280 
1 1 1  -18    6   37 o  594.807   9.0085  2392.16   68.233  2450.18  119.609  2364.16   83.077  599.718   14.718  589.896   10.393 9.822327 18.01699 
1 1 1  -18    6   38 f  667.946   9.9649  2958.47   83.026  3244.62  153.614  2840.38   98.681  689.524   16.440  646.368   11.266 43.15631 19.92972 
1 1 1  -18    6   39 o  335.159   5.2719  759.855   23.904  807.867   35.046  718.085   32.689  345.025   7.4956  325.294   7.4155 19.73096 10.54386 
1 1 1  -18    6   40 o  269.139   4.8655  491.490   17.745  491.959   25.196  491.029   24.996  269.265   6.9051  269.013   6.8566 0.2521973 9.731098 
1 1 1  -18    6   41 f  572.076   7.1805  2223.99   55.657  2264.33   79.612  2185.43   77.838  577.144   10.179  567.008   10.130 10.13580 14.36101 
1 1 1  -18    6   42 o  340.058   5.2766  784.982   24.315  786.099   34.552  783.885   34.223  340.295   7.4926  339.821   7.4317 0.4745178 10.55317 
1 1 1  -18    6   43 o  455.092   6.1621  1406.83   37.998  1421.26   54.234  1392.92   53.254  457.378   8.7501  452.806   8.6788 4.572510 12.32420 
1 1 1  -18    6   44 o  263.163   6.0618  464.351   20.184  453.680   24.364  487.698   36.038  258.529   6.9544  267.797   9.9306 -9.268127 12.12356 
1 1 1  -18    6   45 o  320.555   5.1899  697.407   22.540  715.283   32.251  680.338   31.515  324.569   7.3325  316.540   7.3469 8.028992 10.37988 
1 1 1  -18    6   46 o  336.598   5.2708  769.036   24.036  789.985   34.431  749.124   33.569  341.067   7.4496  332.129   7.4585 8.938568 10.54160 
1 1 1  -18    6   47 o  260.295   4.8656  459.884   17.159  466.347   24.554  453.715   23.990  262.079   6.9138  258.510   6.8480 3.568817 9.731129 
1 1 1  -18    6   48 o  439.938   6.0611  1314.84   36.122  1352.07   51.920  1279.91   50.288  445.966   8.5911  433.910   8.5522 12.05618 12.12223 
1 1 1  -18    6   49 o  346.446   6.4730  822.427   29.010  837.068   36.187  796.096   48.530  351.003   7.6078  341.888   10.475 9.115204 12.94595 
1 1 1  -18    6   50 o  237.895   4.8098  384.102   15.501  394.874   22.256  373.955   21.602  241.132   6.8111  234.659   6.7930 6.472717 9.619596 
1 1 1  -18    6   51 o  140.646   5.9627  138.594   10.872  151.116   13.903  118.883   17.444  149.158   6.8784  132.135   9.7419 17.02319 11.92548 
1 1 1  -18    6   52 o  281.215   6.0083  540.767   21.899  547.854   27.343  528.091   36.569  283.963   7.1056  278.467   9.6907 5.495911 12.01666 
1 1 1  -18    6   53 o  275.015   6.1221  512.499   21.400  520.846   37.578  508.493   26.033  276.466   10.030  273.564   7.0224 2.901947 12.24410 
1 1 1  -18    6   54 o  126.077   6.4938  110.155   10.476  102.236   17.721  114.409   12.988  122.422   10.682  129.733   7.3877 -7.311134 12.98751 
1 1 1  -18    6   55 o  455.865   7.7741  1434.29   45.419  1468.80   56.182  1369.19   77.163  464.445   8.9265  447.285   12.730 17.16016 15.54813 
1 1 1  -18    6   56 f  295.828   5.1597  594.163   20.669  624.688   29.853  566.055   28.646  303.120   7.2675  288.536   7.3262 14.58377 10.31941 
1 1 1  -18    6   57 o  453.008   6.2475  1397.55   38.348  1414.65   54.729  1381.06   53.750  455.723   8.8620  450.293   8.8085 5.429474 12.49499 
1 1 1  -18    6   58 o  218.893   6.0605  328.353   16.751  320.683   29.484  332.009   20.355  216.785   10.036  221.001   6.7966 -4.215775 12.12110 
1 1 1  -18    6   59 o  239.346   7.1459  391.053   23.176  390.745   32.612  391.369   32.943  239.259   10.058  239.433   10.153 -0.1743011 14.29183 
1 1 1  -18    6   60 o  428.347   7.5162  1258.37   40.995  1267.20   50.156  1240.59   71.153  431.255   8.5824  425.438   12.342 5.816193 15.03237 
1 1 1  -18    6   61 o   73.176   7.7086   37.240   7.3162   46.835   10.612   28.548   10.100   82.848   9.4521   63.505   12.180 19.34274 15.41723 
1 1 1  -18    6   62 o  294.284   5.2273  588.468   20.829  619.056   30.143  560.516   28.815  301.593   7.3754  286.974   7.4095 14.61981 10.45451 
1 1 1  -18    6   63 o  255.134   5.0104  442.990   17.318  429.996   24.454  456.064   24.530  251.366   7.1788  258.902   6.9915 -7.536118 10.02085 
1 1 1  -18    6   64 o  211.332   4.9410  303.632   14.142  312.762   20.414  295.206   19.611  214.379   7.0271  208.285   6.9479 6.093521 9.881938 
1 1 1  -18    6   65 o  126.308   5.4976  108.913   9.3896  101.603   13.361  116.045   13.198  122.085   8.0762  130.531   7.4611 -8.446144 10.99513 
1 1 1  -18    6   66 o  120.423   5.6409   99.573   9.1111   83.484   12.908  115.547   12.862  110.598   8.6126  130.248   7.2872 -19.65034 11.28179 
1 1 1  -18    6   67 o  142.220   5.3316  138.065   10.260  131.469   14.653  144.409   14.371  138.855   7.7874  145.586   7.2841 -6.730820 10.66315 
1 1 1  -18    6   68 o  272.056   5.1298  504.050   18.904  518.701   27.230  490.418   26.265  275.863   7.2839  268.249   7.2253 7.613617 10.25967 
1 1 1  -18    6   69 o  200.439   6.8788  275.841   18.649  262.288   26.728  288.698   26.034  195.547   10.086  205.331   9.3562 -9.783768 13.75756 
1 1 1  -18    6   70 o   90.606   7.5595   55.867   9.0579   53.833   11.516   59.166   14.668   88.598   9.5919   92.614   11.687 -4.016281 15.11909 
1 1 1  -18    6   71 o   67.304   8.4010   32.672   7.3095   23.888   10.526   40.855   10.159   57.484   13.705   77.124   9.7198 -19.64033 16.80191 
1 1 1  -18    6   72 f  146.615   5.2413  147.006   10.398  137.099   14.643  157.080   14.767  141.592   7.6316  151.638   7.1862 -10.04590 10.48251 
1 1 1  -18    6   73 o  116.635   5.7369   93.229   9.0672   94.088   12.886   92.387   12.761  117.166   8.1160  116.103   8.1104 1.063065 11.47378 
1 1 1  -18    6   74 o  152.676   6.7409  160.738   12.908  160.797   15.565  160.607   23.101  153.223   7.4961  152.129   11.206 1.093872 13.48188 
1 1 1  -18    6   75 o   58.211   11.094   25.504   9.8900   9.4390   14.942   38.030   13.194   44.089   17.242   72.334   13.966 -28.24514 22.18879 
1 1 1  -18    6   76 o  137.202   6.6763  131.710   11.541  126.005   20.240  134.459   14.048  134.433   11.110  139.971   7.4063 -5.537720 13.35267 
1 1 1  -18    6   77 o  111.347   5.7857   85.603   8.7119   79.685   12.360   91.445   12.281  107.444   8.4890  115.250   7.8636 -7.806419 11.57148 
1 1 1  -18    6   78 o  187.462   5.0017  241.523   12.706  242.849   18.083  240.230   17.856  187.960   7.0992  186.963   7.0478 0.9970245 10.00350 
1 1 1  -18    6   79 o   46.665   9.1927   15.670   6.3931   8.5024   8.9693   23.072   9.1150   37.318   13.627   56.011   12.342 -18.69316 18.38544 
1 1 1  -18    6   80 o  102.638   5.8906   73.745   8.0820   60.229   11.445   87.189   11.415   92.943   9.0867  112.333   7.4985 -19.38967 11.78116 
1 1 1  -18    6   81 o  135.714   5.2243  127.503   9.5986  120.975   13.562  134.056   13.587  132.160   7.5723  139.267   7.1995 -7.107269 10.44854 
1 1 1  -18    6   82 o   39.021   9.2945   10.120   6.7875  -4.1823   11.867   17.074   8.2745   30.301   13.663   47.741   12.604 -17.44012 18.58896 
1 1 1  -18    6   83 o  166.274   6.0577  188.994   12.877  208.345   22.711  179.825   15.633  171.562   9.7688  160.986   7.1661 10.57578 12.11538 
1 1 1  -18    6   84 o   97.364   8.3978   68.086   10.818   89.959   16.173   50.374   14.554  112.007   10.655   82.720   12.983 29.28755 16.79566 
1 1 1  -18    6   85 o  147.320   7.0585  155.183   14.087  157.154   20.228  153.327   19.629  148.155   10.075  146.485   9.8881 1.670227 14.11693 
1 1 1  -18    6   86 o   45.652   15.695   15.845   11.741   15.845   11.741   0.0000   0.0000   45.652   15.695  ?   ?       ?      ? 
1 1 1  -18    6   87 o  105.246   11.528   81.452   16.441   81.452   16.441   0.0000   0.0000  105.246   11.528  ?   ?       ?      ? 
1 1 1  -18    6   88 o  127.270   10.819  118.490   18.660  118.490   18.660   0.0000   0.0000  127.270   10.819  ?   ?       ?      ? 
1 1 1  -18    7    1 o  1317.99   14.714 11842.01  262.800 11910.44  373.182 11774.69  370.147  1321.76   20.835  1314.23   20.784 7.534424 29.42859 
1 1 1  -18    7    2 o  595.608   7.2982  2407.24   58.905  2416.23   83.502  2398.34   83.109  596.714   10.326  594.502   10.316 2.212280 14.59635 
1 1 1  -18    7    3 o  495.784   6.3917  1665.59   42.919  1722.95   61.967  1612.71   59.500  503.977   9.0734  487.591   9.0049 16.38556 12.78337 
1 1 1  -18    7    4 f  1109.26   15.375  8332.12  216.212  8561.45  382.475  8224.43  262.111  1119.15   25.219  1099.37   17.594 19.77527 30.74985 
1 1 1  -18    7    5 o  851.026   11.240  4811.46  110.896  4710.11  126.682  5143.80  229.401  833.032   11.222  869.020   19.480 -35.98828 22.48092 
1 1 1  -18    7    6 o  389.341   6.4875  1005.84   32.368  962.317   39.380  1096.47   56.831  376.708   7.7142  401.973   10.433 -25.26471 12.97509 
1 1 1  -18    7    7 o  1014.49   13.269  7027.01  159.018  7047.96  184.429  6966.34  313.933  1018.65   13.361  1010.33   22.929 8.313660 26.53776 
1 1 1  -18    7    8 o  621.699   8.6035  2601.12   63.068  2577.75   72.847  2671.07  126.023  616.478   8.7199  626.920   14.834 -10.44232 17.20697 
1 1 1  -18    7    9 o  480.246   7.0814  1538.26   40.166  1511.46   46.338  1619.22   80.546  472.136   7.2425  488.355   12.171 -16.21994 14.16282 
1 1 1  -18    7   10 o  616.809   8.7122  2580.51   72.822  2580.51   72.822   0.0000   0.0000  616.809   8.7122  ?   ?       ?      ? 
1 1 1  -18    7   11 o  1038.86   13.541  7250.03  163.880  7156.83  188.021  7544.69  334.302  1026.45   13.517  1051.26   23.466 -24.80322 27.08109 
1 1 1  -18    7   12 o  392.349   6.6813  1062.42   34.186  1117.24   43.494  973.825   55.295  405.891   7.9075  378.807   10.772 27.08438 13.36261 
1 1 1  -18    7   13 o  835.027   11.112  4755.96  109.795  4772.30  127.454  4708.94  216.194  838.514   11.217  831.541   19.186 6.973389 22.22395 
1 1 1  -18    7   14 o  1094.23   14.288  8332.35  187.246  8541.82  220.095  7783.51  356.272  1121.16   14.486  1067.31   24.633 53.85193 28.57654 
1 1 1  -18    7   15 o  509.780   7.3998  1741.62   44.618  1719.16   51.570  1808.50   88.982  503.510   7.5580  516.051   12.724 -12.54044 14.79952 
1 1 1  -18    7   16 o  591.097   8.3178  2371.06   58.360  2370.04   67.786  2373.97  114.720  591.130   8.4621  591.064   14.323 0.6579590E-01 16.63563 
1 1 1  -18    7   17 o  1310.81   16.932 11797.86  261.994 11862.39  304.005 11611.58  516.513  1320.45   16.989  1301.18   29.293 19.26501 33.86305 
1 1 1  -18    7   18 o  372.406   6.4050  915.351   30.528  867.344   37.025  1017.28   53.950  357.632   7.6398  387.180   10.282 -29.54721 12.80991 
1 1 1  -18    7   19 o  581.249   8.7191  2303.77   65.258  2325.16   80.783  2263.60  110.712  585.354   10.184  577.144   14.156 8.209900 17.43830 
1 1 1  -18    7   20 o  476.395   8.8141  1540.45   56.850  1450.34   79.426  1635.12   81.406  462.097   12.684  490.694   12.242 -28.59610 17.62813 
1 1 1  -18    7   21 o  837.787   13.743  4782.73  156.013  4691.25  219.315  4876.45  221.981  829.660   19.507  845.914   19.365 -16.25391 27.48633 
1 1 1  -18    7   22 o  472.657   7.4968  1510.85   45.521  1499.12   55.967  1533.79   78.246  470.087   8.7856  475.227   12.150 -5.140137 14.99370 
1 1 1  -18    7   23 o  333.758   5.1144  754.835   23.122  775.960   33.290  735.145   32.140  338.265   7.2623  329.251   7.2033 9.013977 10.22881 
1 1 1  -18    7   24 o  432.180   5.8792  1265.47   34.410  1314.00   49.735  1220.90   47.659  440.118   8.3389  424.243   8.2898 15.87527 11.75834 
1 1 1  -18    7   25 o  453.653   6.0531  1395.10   37.196  1434.68   53.575  1358.27   51.682  459.857   8.5972  447.449   8.5234 12.40811 12.10617 
1 1 1  -18    7   26 o  117.175   6.5694   95.800   9.5205   99.972   11.480   86.611   17.038  121.415   6.9772  112.935   11.133 8.480087 13.13883 
1 1 1  -18    7   27 o  405.147   7.1311  1138.63   37.003  1194.56   46.056  1036.77   62.150  419.626   8.0992  390.668   11.739 28.95807 14.26226 
1 1 1  -18    7   28 o  368.507   5.3977  921.198   26.954  915.399   38.208  926.944   38.029  367.350   7.6752  369.664   7.5915 -2.313995 10.79535 
1 1 1  -18    7   29 o  596.556   7.3650  2414.43   59.511  2488.66   85.812  2345.66   82.601  605.375   10.460  587.737   10.371 17.63824 14.73005 
1 1 1  -18    7   30 o  286.979   4.8828  558.477   18.985  563.951   27.167  553.251   26.543  288.351   6.9524  285.606   6.8580 2.744690 9.765644 
1 1 1  -18    7   31 o  673.151   8.1039  3079.06   73.921  3098.60  105.164  3059.98  103.926  675.255   11.493  671.046   11.429 4.209534 16.20776 
1 1 1  -18    7   32 o  308.760   6.0744  649.261   24.087  640.109   41.125  654.040   29.718  307.012   9.8848  310.508   7.0627 -3.496185 12.14874 
1 1 1  -18    7   33 o  114.079   5.9310   87.703   8.6979   90.301   14.981   86.383   10.683  115.314   9.5867  112.844   6.9860 2.470016 11.86206 
1 1 1  -18    7   34 o  241.565   5.6100  390.072   17.301  413.638   30.426  378.810   21.033  246.814   9.0967  236.316   6.5680 10.49863 11.22001 
1 1 1  -18    7   35 o  260.507   4.7899  460.461   16.907  451.543   23.937  469.339   23.882  257.986   6.8470  263.028   6.7002 -5.041687 9.579822 
1 1 1  -18    7   36 f  413.039   5.7881  1158.01   32.395  1169.62   46.171  1146.76   45.463  415.075   8.2085  411.003   8.1627 4.071381 11.57620 
1 1 1  -18    7   37 o  524.243   8.2825  1847.03   54.852  1932.79   98.133  1808.06   66.152  532.610   13.596  515.876   9.4626 16.73389 16.56508 
1 1 1  -18    7   38 o  212.475   4.6799  306.449   13.467  301.755   19.286  310.917   18.814  210.881   6.7486  214.070   6.4854 -3.189346 9.359714 
1 1 1  -18    7   39 o  452.963   6.1380  1393.50   37.673  1368.04   52.956  1419.58   53.607  448.771   8.7077  457.154   8.6532 -8.382660 12.27608 
1 1 1  -18    7   40 o  148.543   4.8343  150.124   9.7025  137.827   13.794  162.167   13.650  142.496   7.1433  154.590   6.5159 -12.09448 9.668638 
1 1 1  -18    7   41 o  406.642   5.7601  1123.04   31.738  1130.58   45.259  1115.74   44.519  407.980   8.1862  405.305   8.1055 2.675079 11.52015 
1 1 1  -18    7   42 o  461.667   6.2231  1448.45   38.932  1449.29   55.294  1447.62   54.825  461.794   8.8358  461.540   8.7657 0.2539978 12.44621 
1 1 1  -18    7   43 o  355.143   6.7448  863.627   30.569  875.651   37.539  839.959   52.668  359.062   7.7148  351.224   11.066 7.837646 13.48966 
1 1 1  -18    7   44 o  303.041   5.0735  622.850   20.822  649.065   30.043  598.615   28.886  309.170   7.1706  296.911   7.1793 12.25903 10.14692 
1 1 1  -18    7   45 o  274.966   4.9143  513.405   18.307  498.661   25.826  528.297   25.955  270.990   7.0326  278.941   6.8663 -7.950470 9.828649 
1 1 1  -18    7   46 o  318.514   5.1620  689.063   22.280  691.496   31.679  686.683   31.341  319.067   7.3266  317.961   7.2737 1.106812 10.32409 
1 1 1  -18    7   47 o  255.688   4.8534  444.032   16.814  436.121   23.813  451.898   23.745  253.411   6.9343  257.966   6.7925 -4.554962 9.706843 
1 1 1  -18    7   48 o  142.987   4.9482  138.995   9.5792  134.462   13.684  143.352   13.414  140.689   7.1774  145.285   6.8134 -4.595413 9.896340 
1 1 1  -18    7   49 o  249.192   5.7794  422.884   18.732  424.600   23.436  419.849   31.168  250.016   6.9173  248.367   9.2605 1.649124 11.55882 
1 1 1  -18    7   50 o  221.620   5.7351  337.614   16.550  347.750   20.883  320.496   27.138  226.259   6.8108  216.981   9.2293 9.277618 11.47028 
1 1 1  -18    7   51 o  429.384   6.0036  1254.03   34.927  1274.15   49.959  1234.79   48.850  432.746   8.5191  426.022   8.4615 6.723663 12.00720 
1 1 1  -18    7   52 o  221.360   4.8544  332.850   14.557  336.310   20.912  329.598   20.275  222.469   6.9365  220.251   6.7930 2.218079 9.708795 
1 1 1  -18    7   53 o  498.051   8.1126  1677.54   51.133  1742.06   90.971  1647.73   61.823  504.282   13.312  491.821   9.2760 12.46066 16.22523 
1 1 1  -18    7   54 o  186.297   4.8681  235.865   12.280  236.335   17.743  235.433   17.012  186.464   7.0217  186.131   6.7446 0.3334045 9.736246 
1 1 1  -18    7   55 o  263.509   4.9974  471.637   17.837  486.171   25.720  458.172   24.757  267.412   7.0977  259.605   7.0371 7.806946 9.994898 
1 1 1  -18    7   56 o  479.986   7.9192  1565.90   48.320  1600.44   84.900  1549.34   58.767  483.166   12.967  476.805   9.0951 6.361511 15.83840 
1 1 1  -18    7   57 o   76.011   9.1203   39.279   8.4453   42.968   15.485   37.717   10.076   77.685   15.254   74.338   10.002 3.347252 18.24060 
1 1 1  -18    7   58 o  154.740   6.5290  165.066   12.887  168.744   15.858  157.909   22.117  157.482   7.4306  151.998   10.738 5.484085 13.05801 
1 1 1  -18    7   59 o  465.013   9.1109  1484.27   57.411  1501.50   81.269  1467.11   81.112  467.736   12.822  462.289   12.948 5.446411 18.22187 
1 1 1  -18    7   60 o  143.023   7.8368  139.113   15.140  128.591   20.453  151.870   22.519  137.087   11.010  148.960   11.156 -11.87358 15.67365 
1 1 1  -18    7   61 o  102.302   8.1073   76.354   10.276   85.758   12.738   58.833   17.388  112.170   8.3800   92.433   13.881 19.73675 16.21465 
1 1 1  -18    7   62 o  122.487   5.5483  102.176   9.2033  102.963   13.282  101.449   12.765  122.930   7.9728  122.044   7.7181 0.8857956 11.09655 
1 1 1  -18    7   63 o  157.138   5.1090  168.316   10.866  160.935   15.506  175.436   15.230  153.727   7.4435  160.549   7.0000 -6.823059 10.21794 
1 1 1  -18    7   64 o  206.608   4.9811  289.181   13.908  320.085   20.446  262.571   18.973  216.842   6.9581  196.374   7.1297 20.46800 9.962276 
1 1 1  -18    7   65 o  169.730   5.0603  195.866   11.628  205.062   16.886  187.571   16.037  173.509   7.1814  165.951   7.1312 7.558777 10.12062 
1 1 1  -18    7   66 o  274.472   5.1536  513.532   19.163  501.981   27.176  524.957   27.027  271.379   7.3898  277.565   7.1854 -6.186066 10.30717 
1 1 1  -18    7   67 o  187.555   5.1042  239.704   12.966  242.711   18.700  236.921   17.992  188.672   7.3140  186.439   7.1215 2.233521 10.20834 
1 1 1  -18    7   68 o   53.341   11.650   20.098   9.4718   14.260   14.275   24.690   12.660   48.236   17.249   58.447   15.666 -10.21126 23.30080 
1 1 1  -18    7   69 o  125.160   5.6729  107.038   9.5916   95.984   13.360  118.794   13.778  118.452   8.3232  131.867   7.7105 -13.41448 11.34583 
1 1 1  -18    7   70 o   87.227   7.9749   53.753   9.1271   58.522   11.874   46.867   14.268   92.305   9.4930   82.148   12.817 10.15684 15.94973 
1 1 1  -18    7   71 o  113.374   8.0820   88.770   12.333   90.871   18.644   87.136   16.444  114.435   12.023  112.314   10.804 2.121574 16.16403 
1 1 1  -18    7   72 o   72.731   7.7944   36.396   7.6562   40.440   11.358   33.028   10.365   76.418   10.968   69.045   11.078 7.372871 15.58886 
1 1 1  -18    7   73 f  169.266   6.5828  197.027   14.113  196.127   17.140  198.924   24.870  169.183   7.4761  169.349   10.837 -0.1654510 13.16557 
1 1 1  -18    7   74 f  114.175   7.9487  100.110   10.704   69.369   18.870  114.695   12.998   99.031   14.061  129.318   7.4169 -30.28651 15.89739 
1 1 1  -18    7   75 o  126.641   5.5508  110.500   9.5062  106.492   13.731  114.190   13.174  124.359   8.1479  128.924   7.5404 -4.564362 11.10159 
1 1 1  -18    7   76 o  143.673   5.2682  142.147   10.239  138.174   14.797  145.797   14.182  141.669   7.7076  145.676   7.1840 -4.006485 10.53648 
1 1 1  -18    7   77 o  120.273   5.5831   99.007   9.0504  114.629   13.443   86.058   12.240  128.933   7.6942  111.612   8.0922 17.32072 11.16628 
1 1 1  -18    7   78 o  140.106   5.2558  135.347   9.9720  137.455   14.412  133.411   13.812  141.116   7.5366  139.095   7.3275 2.021561 10.51159 
1 1 1  -18    7   79 o  110.017   5.7337   84.058   8.5294   82.443   12.407   85.506   11.745  108.918   8.4060  111.116   7.7999 -2.198013 11.46733 
1 1 1  -18    7   80 o  125.759   6.8479  116.344   10.725   96.336   18.327  126.764   13.225  116.136   11.645  135.382   7.2089 -19.24602 13.69586 
1 1 1  -18    7   81 o   52.989   9.5693   22.728   7.3054   11.557   12.543   28.462   8.9869   42.670   16.017   63.307   10.475 -20.63799 19.13853 
1 1 1  -18    7   82 o   54.471   10.178   21.367   7.3020   28.611   12.754   17.835   8.9061   60.474   15.493   48.468   13.202 12.00613 20.35521 
1 1 1  -18    7   83 o   58.007   10.727   26.936   8.7134   20.094   12.918   32.648   11.803   50.762   16.444   65.252   13.780 -14.48916 21.45469 
1 1 1  -18    7   84 o  117.446   7.3884   99.192   11.741  100.625   17.127   97.921   16.127  118.076   10.704  116.816   10.187 1.260231 14.77677 
1 1 1  -18    7   85 o   53.728   15.954   23.292   12.460   23.292   12.460   0.0000   0.0000   53.728   15.954  ?   ?       ?      ? 
1 1 1  -18    7   86 o   46.576   16.165   16.845   12.468   16.845   12.468   0.0000   0.0000   46.576   16.165  ?   ?       ?      ? 
1 1 1  -18    7   87 o   68.439   15.138   37.730   13.667   37.730   13.667   0.0000   0.0000   68.439   15.138  ?   ?       ?      ? 
1 1 1  -18    8    1 o  633.057   9.2792  2676.26   74.553  2858.35  132.835  2592.52   90.078  648.186   15.123  617.928   10.757 30.25726 18.55835 
1 1 1  -18    8    2 o  272.682   6.6641  504.202   24.625   0.0000   0.0000  504.202   24.625  ?   ?   272.682   6.6641      ?      ? 
1 1 1  -18    8    3 o  607.334   10.517  2504.02   86.555   0.0000   0.0000  2504.02   86.555  ?   ?   607.334   10.517      ?      ? 
1 1 1  -18    8    4 o  300.965   9.2783  614.642   37.841  614.642   37.841   0.0000   0.0000  300.965   9.2783  ?   ?       ?      ? 
1 1 1  -18    8    5 f  483.547   7.6497  1610.51   47.989  1504.41   78.996  1672.57   60.414  470.592   12.387  496.502   8.9791 -25.90955 15.29930 
1 1 1  -18    8    6 o  429.460   6.9043  1213.65   37.723  1147.02   45.462  1360.95   67.592  411.213   8.1584  447.707   11.141 -36.49438 13.80862 
1 1 1  -18    8    7 o  479.397   7.5170  1572.31   46.655  1602.61   58.269  1518.19   77.875  486.021   8.8471  472.773   12.155 13.24780 15.03395 
1 1 1  -18    8    8 o  770.779   12.749  4036.30  133.165  4036.30  133.165   0.0000   0.0000  770.779   12.749  ?   ?       ?      ? 
1 1 1  -18    8    9 o  174.614   5.4416  206.692   12.876  206.692   12.876   0.0000   0.0000  174.614   5.4416  ?   ?       ?      ? 
1 1 1  -18    8   10 o  782.555   10.440  3976.02   93.315  3824.97  105.501  4518.90  200.010  750.672   10.371  814.439   18.122 -63.76678 20.87993 
1 1 1  -18    8   11 o  492.035   7.1773  1602.44   41.611  1562.51   47.867  1725.98   84.190  479.998   7.3588  504.072   12.325 -24.07373 14.35467 
1 1 1  -18    8   12 o  402.961   6.4426  1140.90   31.665  1197.33   37.884  1010.09   57.677  420.213   6.6528  385.709   11.035 34.50391 12.88513 
1 1 1  -18    8   13 o  466.298   7.0750  1529.34   40.180  1605.92   48.037  1350.99   73.314  486.621   7.2845  445.975   12.131 40.64560 14.14999 
1 1 1  -18    8   14 o  313.528   5.8301  646.977   23.544  606.758   28.701  729.734   41.170  299.120   7.0805  327.936   9.2642 -28.81537 11.66012 
1 1 1  -18    8   15 o  624.764   8.7066  2648.74   64.528  2645.59   74.916  2657.78  127.017  624.440   8.8533  625.088   14.995 -0.6481323 17.41322 
1 1 1  -18    8   16 o  291.922   5.3134  556.505   18.755  532.251   21.798  625.621   36.798  280.193   5.7410  303.651   8.9426 -23.45889 10.62679 
1 1 1  -18    8   17 o  644.505   8.9010  2797.58   67.601  2772.43   78.061  2873.01  135.191  639.205   9.0118  649.805   15.353 -10.60059 17.80206 
1 1 1  -18    8   18 o  255.582   5.3512  465.058   16.803  500.931   20.372  388.719   29.718  271.827   5.5304  239.338   9.1627 32.48904 10.70239 
1 1 1  -18    8   19 o  261.959   5.6222  461.371   19.475  447.348   24.778  484.036   31.502  256.828   7.1194  267.090   8.7035 -10.26205 11.24438 
1 1 1  -18    8   20 o  359.751   5.9426  860.482   25.616  841.171   29.752  915.826   50.367  352.213   6.2334  367.290   10.119 -15.07639 11.88512 
1 1 1  -18    8   21 o  734.238   9.9576  3630.11   85.863  3593.75   98.960  3740.86  172.704  727.567   10.037  740.908   17.201 -13.34155 19.91527 
1 1 1  -18    8   22 o  239.630   4.5931  389.390   14.911  390.094   21.352  388.719   20.833  239.840   6.5695  239.421   6.4209 0.4185791 9.186241 
1 1 1  -18    8   23 o  332.146   5.1108  748.347   23.001  734.474   32.504  762.262   32.553  329.059   7.2892  335.232   7.1658 -6.173004 10.22159 
1 1 1  -18    8   24 o  613.958   7.5134  2555.74   62.453  2666.49   90.741  2456.06   86.087  626.565   10.687  601.351   10.564 25.21393 15.02686 
1 1 1  -18    8   25 o  777.755   11.259  4158.93  112.487  4242.88  139.316  4001.69  190.663  789.851   13.016  765.659   18.376 24.19135 22.51856 
1 1 1  -18    8   26 o  453.019   7.5264  1403.95   43.602  1424.41   53.660  1364.18   74.805  458.112   8.6436  447.927   12.324 10.18457 15.05274 
1 1 1  -18    8   27 o  347.088   6.2980  807.307   27.887  848.683   49.019  787.508   33.908  353.475   10.233  340.702   7.3443 12.77347 12.59607 
1 1 1  -18    8   28 o  289.489   5.8431  566.138   21.674  576.884   37.488  560.742   26.565  291.466   9.4911  287.513   6.8182 3.952911 11.68626 
1 1 1  -18    8   29 o  244.958   5.6198  406.294   17.655  410.116   30.411  404.352   21.683  245.761   9.1313  244.154   6.5536 1.606918 11.23962 
1 1 1  -18    8   30 o  396.832   5.6481  1068.82   30.370  1049.98   42.851  1087.84   43.050  393.313   8.0398  400.350   7.9350 -7.037659 11.29611 
1 1 1  -18    8   31 o  528.854   6.7551  1898.42   48.392  1951.98   69.675  1848.51   67.261  536.049   9.5915  521.659   9.5147 14.38995 13.51024 
1 1 1  -18    8   32 o   71.952   6.3844   34.818   6.1946   39.374   9.3016   31.187   8.3040   76.140   9.0150   67.764   9.0429 8.376396 12.76885 
1 1 1  -18    8   33 o  452.515   6.0967  1389.89   37.375  1419.55   53.656  1361.93   52.092  457.198   8.6602  447.832   8.5837 9.366028 12.19340 
1 1 1  -18    8   34 o  235.602   4.6882  376.628   14.963  376.767   21.451  376.496   20.882  235.640   6.7177  235.564   6.5414 0.7600403E-01 9.376426 
1 1 1  -18    8   35 o  598.656   7.4155  2436.84   60.152  2460.57   85.826  2413.92   84.331  601.513   10.529  595.800   10.445 5.712769 14.83094 
1 1 1  -18    8   36 o  382.683   6.8878  991.270   33.300  1007.32   59.159  983.825   40.289  384.717   11.347  380.649   7.8105 4.068634 13.77561 
1 1 1  -18    8   37 o  434.733   5.9748  1282.21   35.175  1330.67   50.894  1237.89   48.671  442.583   8.4858  426.884   8.4135 15.69919 11.94967 
1 1 1  -18    8   38 o  492.514   6.4780  1644.62   43.179  1736.59   63.020  1563.25   59.281  505.452   9.2006  479.576   9.1217 25.87561 12.95597 
1 1 1  -18    8   39 o  238.559   4.7626  385.859   15.386  398.128   22.261  374.637   21.290  242.183   6.7829  234.935   6.6873 7.247574 9.525108 
1 1 1  -18    8   40 o  158.738   4.7606  171.508   10.204  155.543   14.474  187.286   14.389  151.359   7.0566  166.117   6.3920 -14.75862 9.521214 
1 1 1  -18    8   41 o  360.208   5.4374  880.969   26.535  854.915   37.118  908.200   37.947  354.760   7.7209  365.656   7.6582 -10.89609 10.87476 
1 1 1  -18    8   42 o  324.391   6.5188  726.748   26.955  749.838   33.225  682.291   46.103  332.264   7.3790  316.518   10.749 15.74594 13.03769 
1 1 1  -18    8   43 o  263.176   4.8632  469.959   17.337  482.788   24.966  458.011   24.093  266.639   6.9094  259.712   6.8458 6.926971 9.726451 
1 1 1  -18    8   44 o  146.432   4.8455  146.075   9.5822  133.966   13.678  157.746   13.428  140.437   7.1871  152.427   6.5009 -11.98950 9.691033 
1 1 1  -18    8   45 o  219.652   6.8155  327.667   20.287  327.667   20.287   0.0000   0.0000  219.652   6.8155  ?   ?       ?      ? 
1 1 1  -18    8   46 o  293.095   6.0016  581.723   22.800  575.681   28.302  592.893   38.482  291.093   7.1747  295.097   9.6230 -4.004028 12.00328 
1 1 1  -18    8   47 o  374.759   6.6810  945.713   32.191  923.758   39.476  989.289   55.615  368.610   7.9028  380.908   10.774 -12.29813 13.36194 
1 1 1  -18    8   48 o  178.701   4.8117  216.638   11.641  223.453   16.929  210.525   16.032  181.357   6.8882  176.044   6.7203 5.313095 9.623422 
1 1 1  -18    8   49 f  275.951   4.9858  517.462   18.640  517.835   26.658  517.106   26.073  276.040   7.1264  275.862   6.9746 0.1770630 9.971545 
1 1 1  -18    8   50 o  167.417   4.8644  190.686   11.023  183.503   15.770  197.548   15.414  164.316   7.0822  170.518   6.6704 -6.201904 9.728869 
1 1 1  -18    8   51 f  323.967   5.2836  713.607   23.187  715.693   33.280  711.639   32.324  324.413   7.5701  323.523   7.3729 0.8899231 10.56720 
1 1 1  -18    8   52 o  135.805   6.4173  128.951   10.862  116.975   19.184  134.602   13.177  130.887   10.816  140.723   6.9101 -9.835541 12.83452 
1 1 1  -18    8   53 o  309.731   5.1950  652.206   21.800  662.170   31.230  642.738   30.444  312.031   7.3858  307.431   7.3077 4.600372 10.38998 
1 1 1  -18    8   54 o  160.631   6.1041  181.055   12.321  161.007   21.315  191.115   15.099  153.579   10.241  167.684   6.6447 -14.10452 12.20820 
1 1 1  -18    8   55 o  187.399   5.9691  241.303   14.131  233.312   24.785  245.151   17.199  184.897   9.8920  189.900   6.6835 -5.003159 11.93823 
1 1 1  -18    8   56 o  162.525   5.0017  178.650   10.983  197.901   16.206  162.298   14.936  170.582   7.0108  154.467   7.1356 16.11461 10.00340 
1 1 1  -18    8   57 o  320.961   6.6459  708.020   27.211  718.492   33.418  687.411   46.877  324.897   7.5901  317.025   10.912 7.872009 13.29179 
1 1 1  -18    8   58 o  484.776   8.1349  1617.62   50.407  1634.31   61.965  1584.98   86.669  489.376   9.3437  480.176   13.319 9.199951 16.26980 
1 1 1  -18    8   59 o  222.943   4.9934  338.638   15.056  314.273   21.294  362.998   21.292  214.879   7.3127  231.007   6.8015 -16.12779 9.986759 
1 1 1  -18    8   60 o  124.422   5.4707  105.854   9.1859   96.424   13.140  114.868   12.847  118.946   8.1521  129.899   7.2979 -10.95373 10.94147 
1 1 1  -18    8   61 o  188.374   4.9653  241.463   12.668  243.228   18.252  239.823   17.596  189.025   7.1253  187.722   6.9171 1.302505 9.930556 
1 1 1  -18    8   62 o   95.368   6.4245   61.688   8.2694   69.845   12.241   54.839   11.216  101.140   8.9308   89.596   9.2377 11.54477 12.84892 
1 1 1  -18    8   63 o  323.807   5.3820  713.756   23.600  738.145   34.176  691.527   32.628  329.075   7.6638  318.540   7.5585 10.53516 10.76407 
1 1 1  -18    8   64 o  121.452   7.3553  107.741   10.912   84.548   19.050  119.067   13.313  110.739   12.695  132.165   7.4330 -21.42661 14.71059 
1 1 1  -18    8   65 o  247.052   6.2607  416.603   19.754  419.518   34.266  415.152   24.175  247.324   10.224  246.779   7.2289 0.5458221 12.52143 
1 1 1  -18    8   68 o  314.254   5.3743  674.749   22.880  681.396   32.834  668.475   31.900  315.732   7.6741  312.776   7.5261 2.955597 10.74869 
1 1 1  -18    8   69 o  114.847   5.7832   89.715   8.9679   98.409   13.384   82.632   12.081  119.851   8.2408  109.842   8.1160 10.00915 11.56631 
1 1 1  -18    8   70 o   67.316   8.4414   33.328   7.2772   22.372   10.582   43.158   10.024   55.439   14.064   79.193   9.3401 -23.75414 16.88281 
1 1 1  -18    8   71 o  131.270   6.9840  119.452   11.702  120.399   14.364  117.584   20.180  132.471   8.0016  130.069   11.449 2.401276 13.96797 
1 1 1  -18    8   72 o  112.261   7.5037   88.897   10.888   92.691   13.682   82.347   17.978  116.017   8.7028  108.505   12.226 7.511429 15.00743 
1 1 1  -18    8   73 o   31.133   9.5633  -0.1646   7.1300  -6.7943   13.488   2.4065   8.3995   31.717   14.408   30.549   12.580 1.168140 19.12670 
1 1 1  -18    8   74 o  147.078   5.2465  148.813   10.440  146.014   15.113  151.368   14.439  145.687   7.6551  148.470   7.1763 -2.782791 10.49290 
1 1 1  -18    8   75 o   80.543   6.9192   45.528   7.4827   41.419   11.009   49.057   10.201   76.960   10.556   84.125   8.9486 -7.164238 13.83846 
1 1 1  -18    8   76 o  107.506   5.8138   79.773   8.4422   82.560   12.536   77.460   11.420  109.148   8.4751  105.863   7.9607 3.285606 11.62755 
1 1 1  -18    8   77 o  119.517   5.5465   98.696   8.9715  101.993   13.096   95.781   12.315  121.356   7.9633  117.678   7.7227 3.677605 11.09293 
1 1 1  -18    8   78 o   75.180   7.1880   39.868   7.3097   38.547   10.539   41.093   10.147   73.873   10.528   76.486   9.7895 -2.612450 14.37605 
1 1 1  -18    8   79 o   91.929   8.4412   65.211   9.2181   49.954   15.652   73.313   11.406   81.279   14.754  102.579   8.2052 -21.30050 16.88232 
1 1 1  -18    8   80 o  117.351   6.6322   92.618   10.038  111.876   17.673   83.447   12.196  125.417   10.398  109.285   8.2351 16.13154 13.26439 
1 1 1  -18    8   81 o   74.793   8.6736   40.088   8.1292   45.016   14.169   37.670   9.9253   76.854   14.125   72.733   10.070 4.121353 17.34711 
1 1 1  -18    8   82 o   29.383   9.2505  -3.3127   7.4616   2.4071   11.375  -7.6325   9.8856   33.543   14.277   25.223   11.767 8.319595 18.50099 
1 1 1  -18    8   83 o   94.554   8.2360   65.070   10.520   69.799   15.658   61.180   14.202   97.549   11.845   91.560   11.446 5.989433 16.47201 
1 1 1  -18    8   84 o   74.215   14.445   43.158   14.005   43.158   14.005   0.0000   0.0000   74.215   14.445  ?   ?       ?      ? 
1 1 1  -18    8   85 o  106.154   11.333   82.885   16.303   82.885   16.303   0.0000   0.0000  106.154   11.333  ?   ?       ?      ? 
1 1 1  -18    8   86 o   92.556   12.327   64.238   15.461   64.238   15.461   0.0000   0.0000   92.556   12.327  ?   ?       ?      ? 
1 1 1  -18    9    1 o  604.095   9.1755  2474.17   70.362  2505.83  123.758  2459.05   85.530  606.531   15.057  601.658   10.490 4.873169 18.35095 
1 1 1  -18    9    2 o  486.869   6.3459  1608.98   41.867  1631.11   59.460  1587.22   58.960  490.191   8.9511  483.547   8.9979 6.644043 12.69185 
1 1 1  -18    9    3 o  469.931   6.1835  1498.33   39.370  1470.87   54.993  1527.19   56.387  465.519   8.7174  474.342   8.7722 -8.822906 12.36702 
1 1 1  -18    9    4 o  201.962   4.4374  276.490   12.132  259.538   16.965  294.235   17.357  195.625   6.3994  208.299   6.1491 -12.67355 8.874841 
1 1 1  -18    9    5 o  524.782   6.6767  1868.51   47.466  1821.81   66.111  1918.19   68.191  518.022   9.4176  531.542   9.4668 -13.52063 13.35340 
1 1 1  -18    9    6 o  535.429   9.5849  1946.41   69.546  1946.41   69.546   0.0000   0.0000  535.429   9.5849  ?   ?       ?      ? 
1 1 1  -18    9    7 o  419.220   6.7021  1191.96   38.074  1191.96   38.074   0.0000   0.0000  419.220   6.7021  ?   ?       ?      ? 
1 1 1  -18    9    8 o  350.705   6.3131  854.719   28.940  923.222   37.278  750.816   45.911  368.904   7.4569  332.506   10.189 36.39844 12.62629 
1 1 1  -18    9    9 o  422.044   6.5350  1218.98   33.233  1230.90   39.030  1187.55   63.373  426.009   6.7608  418.080   11.186 7.928772 13.07008 
1 1 1  -18    9   10 o  363.403   6.3664  902.255   30.115  918.070   37.847  874.960   49.721  367.865   7.5920  358.941   10.222 8.923798 12.73290 
1 1 1  -18    9   11 o  437.176   6.5940  1231.21   33.659  1172.07   38.356  1429.33   70.199  415.700   6.8088  458.653   11.294 -42.95285 13.18804 
1 1 1  -18    9   12 o  539.864   7.7344  1955.51   49.390  1930.36   57.090  2030.32   98.472  533.391   7.8983  546.338   13.300 -12.94775 15.46888 
1 1 1  -18    9   13 o  522.006   7.5571  1850.68   47.031  1850.34   54.764  1851.62   91.800  522.230   7.7383  521.782   12.983 0.4472046 15.11415 
1 1 1  -18    9   14 o  177.715   5.0058  226.380   11.067  250.071   13.661  181.153   18.875  192.053   5.2490  163.378   8.5254 28.67534 10.01169 
1 1 1  -18    9   15 o  449.351   6.9150  1418.96   37.823  1486.78   45.174  1259.96   69.173  468.163   7.1205  430.538   11.856 37.62497 13.82999 
1 1 1  -18    9   16 o  491.655   7.2292  1613.76   42.072  1585.11   48.594  1699.53   84.076  483.369   7.4186  499.942   12.410 -16.57330 14.45837 
1 1 1  -18    9   17 o  623.142   10.791  2642.78   91.052  2497.14  126.802  2797.81  130.825  605.392   15.456  640.892   15.063 -35.50073 21.58251 
1 1 1  -18    9   18 o  201.729   6.5026  271.759   17.328  296.052   28.316  257.215   21.910  208.781   10.008  194.678   8.3050 14.10349 13.00529 
1 1 1  -18    9   19 o  510.858   7.9209  1759.46   51.982  1729.86   63.775  1818.07   89.724  504.744   9.3239  516.972   12.807 -12.22812 15.84182 
1 1 1  -18    9   20 o  398.938   6.7276  1064.59   34.602  1030.06   42.470  1132.74   59.675  389.590   8.0444  408.286   10.786 -18.69604 13.45528 
1 1 1  -18    9   21 o  562.501   8.5478  2162.37   62.151  2187.62   77.330  2116.29  104.453  567.483   10.056  557.519   13.825 9.963989 17.09557 
1 1 1  -18    9   22 o  350.802   6.3588  849.172   29.154  891.879   37.191  781.099   46.955  362.537   7.5701  339.068   10.219 23.46954 12.71752 
1 1 1  -18    9   23 o  191.914   5.4910  249.756   14.280  249.756   14.280   0.0000   0.0000  191.914   5.4910  ?   ?       ?      ? 
1 1 1  -18    9   24 o  188.977   5.4823  242.174   14.040  242.174   14.040   0.0000   0.0000  188.977   5.4823  ?   ?       ?      ? 
1 1 1  -18    9   25 o  323.513   5.0721  708.383   22.208  750.306   32.384  671.164   30.513  332.525   7.1867  314.501   7.1595 18.02423 10.14428 
1 1 1  -18    9   26 o  337.409   5.1720  772.294   23.642  785.021   33.902  760.245   32.986  340.111   7.3558  334.707   7.2726 5.404236 10.34396 
1 1 1  -18    9   27 o  316.577   5.0367  678.987   21.589  709.084   31.319  651.738   29.801  323.249   7.1497  309.906   7.0960 13.34290 10.07331 
1 1 1  -18    9   28 o  114.772   4.9533   90.009   7.6502   81.711   11.140   97.414   10.524  109.719   7.4925  119.826   6.4812 -10.10672 9.906689 
1 1 1  -18    9   29 o  298.434   4.9387  603.533   19.957  626.918   28.938  582.323   27.559  303.936   7.0259  292.932   6.9425 11.00391 9.877335 
1 1 1  -18    9   30 o  163.183   4.5534  181.084   10.046  171.718   14.443  189.863   13.983  159.077   6.6998  167.289   6.1683 -8.212738 9.106891 
1 1 1  -18    9   31 o  133.701   4.7175  121.686   8.5149  115.954   12.412  126.782   11.703  130.706   7.0074  136.695   6.3179 -5.988373 9.435019 
1 1 1  -18    9   32 o  160.829   4.6103  175.707   10.031  172.027   14.527  179.060   13.867  159.209   6.7335  162.448   6.2992 -3.238602 9.220607 
1 1 1  -18    9   33 o  268.486   4.8321  488.824   17.571  502.368   25.374  476.347   24.356  272.052   6.8827  264.919   6.7843 7.132660 9.664270 
1 1 1  -18    9   34 o  242.389   5.9724  405.227   18.105  383.256   32.166  415.414   21.904  237.374   9.9997  247.404   6.5332 -10.03021 11.94472 
1 1 1  -18    9   35 o  217.536   9.8186  321.869   28.944  321.869   28.944   0.0000   0.0000  217.536   9.8186  ?   ?       ?      ? 
1 1 1  -18    9   36 o  626.721   7.6991  2674.37   65.388  2661.04   92.414  2687.74   92.531  625.151   10.909  628.291   10.868 -3.139648 15.39829 
1 1 1  -18    9   37 o  262.811   4.8471  469.062   17.258  461.285   24.563  476.644   24.252  260.651   6.9541  264.971   6.7541 -4.319427 9.694183 
1 1 1  -18    9   38 o  507.833   6.6124  1753.92   45.500  1719.40   63.950  1789.31   64.753  502.767   9.3862  512.900   9.3163 -10.13297 13.22473 
1 1 1  -18    9   39 o  318.117   5.1597  687.369   22.233  659.904   31.287  715.384   31.599  311.686   7.4074  324.548   7.1848 -12.86206 10.31946 
1 1 1  -18    9   40 o  258.780   6.1229  461.420   20.121  473.374   24.673  437.683   34.769  264.019   6.8961  253.540   10.120 10.47818 12.24583 
1 1 1  -18    9   41 o  287.729   6.2481  566.003   22.863  571.628   27.953  554.635   39.737  290.094   7.1106  285.363   10.276 4.730713 12.49620 
1 1 1  -18    9   42 o  138.166   4.9413  129.857   9.2379  124.821   13.258  134.610   12.879  135.546   7.2177  140.785   6.7507 -5.238480 9.882631 
1 1 1  -18    9   43 o  373.672   6.6799  951.565   32.275  953.898   40.078  947.258   54.440  374.591   7.8952  372.754   10.777 1.836761 13.35984 
1 1 1  -18    9   44 o  260.233   5.8147  462.280   19.704  466.869   24.729  454.300   32.611  262.145   6.9612  258.321   9.3159 3.824738 11.62942 
1 1 1  -18    9   45 o  174.002   4.8123  205.477   11.337  210.329   16.460  201.099   15.637  175.947   6.9033  172.056   6.7064 3.890717 9.624568 
1 1 1  -18    9   46 o  292.070   5.0697  579.352   20.055  591.762   28.938  567.884   27.819  295.069   7.2371  289.071   7.1016 5.997772 10.13947 
1 1 1  -18    9   47 o  386.375   5.6700  1015.56   29.685  1011.02   42.201  1020.00   41.764  385.509   8.0780  387.240   7.9586 -1.730652 11.33992 
1 1 1  -18    9   48 o  260.614   4.9222  461.795   17.376  448.037   24.639  475.409   24.509  256.737   7.0819  264.492   6.8380 -7.754883 9.844336 
1 1 1  -18    9   49 o  103.835   5.6504   72.970   7.9241   81.838   11.655   65.346   10.806  109.679   7.8413   97.991   8.1377 11.68741 11.30083 
1 1 1  -18    9   50 o  187.703   5.9579  241.507   14.038  235.516   24.970  244.275   16.974  185.815   9.9164  189.590   6.6067 -3.775528 11.91571 
1 1 1  -18    9   51 o   26.609   11.620  -1.6326   7.9230   0.0000   0.0000  -1.6326   7.9230  ?   ?    26.609   11.620      ?      ? 
1 1 1  -18    9   52 o  286.490   6.1586  545.649   22.269  596.322   40.291  523.359   26.722  295.570   10.059  277.410   7.1083 18.16061 12.31721 
1 1 1  -18    9   53 o  181.345   4.9267  222.499   12.073  239.459   17.909  208.368   16.346  187.640   7.0430  175.049   6.8909 12.59065 9.853324 
1 1 1  -18    9   54 o   97.846   6.0532   65.817   7.9537   58.887   11.626   71.915   10.905   92.916   9.2337  102.776   7.8297 -9.860695 12.10636 
1 1 1  -18    9   55 o  303.338   5.2599  626.397   21.605  596.142   30.446  657.088   30.664  295.930   7.5920  310.746   7.2819 -14.81680 10.51970 
1 1 1  -18    9   56 o  200.298   6.2410  267.724   15.987  256.532   19.420  291.260   28.161  194.137   7.3818  206.459   10.065 -12.32219 12.48205 
1 1 1  -18    9   57 f  347.517   5.5011  822.084   25.894  837.229   37.325  808.033   35.952  350.583   7.8565  344.452   7.7022 6.131409 11.00220 
1 1 1  -18    9   58 o  354.174   5.5486  854.495   26.619  819.654   37.381  890.336   37.914  346.825   7.9535  361.524   7.7389 -14.69904 11.09721 
1 1 1  -18    9   59 f  291.541   5.2035  578.643   20.548  584.589   29.585  573.103   28.560  292.969   7.4519  290.114   7.2646 2.854950 10.40697 
1 1 1  -18    9   60 o  217.372   4.9930  322.270   14.682  304.631   20.953  339.283   20.579  211.480   7.3113  223.263   6.8017 -11.78279 9.985938 
1 1 1  -18    9   61 o  132.683   6.2506  119.230   11.041  115.014   14.224  125.622   17.513  129.845   8.0835  135.521   9.5360 -5.676270 12.50111 
1 1 1  -18    9   62 o  151.230   7.1287  156.613   14.462  157.386   22.095  156.034   19.129  151.438   10.766  151.022   9.3467 0.4157562 14.25750 
1 1 1  -18    9   63 o   63.211   8.5992   28.836   7.0941   22.756   10.585   33.793   9.5582   56.220   13.958   70.202   10.047 -13.98169 17.19830 
1 1 1  -18    9   64 o  248.477   5.0909  421.157   17.138  418.721   24.466  423.504   24.014  247.751   7.2872  249.202   7.1109 -1.451233 10.18177 
1 1 1  -18    9   65 f  221.047   6.9452  335.189   20.734  339.324   30.683  331.715   28.129  222.188   10.190  219.905   9.4392 2.283218 13.89040 
1 1 1  -18    9   66 o  158.740   5.1874  172.546   11.120  166.178   16.237  178.171   15.261  155.912   7.6848  161.567   6.9701 -5.655106 10.37488 
1 1 1  -18    9   67 f  107.655   5.9330   78.868   8.6043   84.540   13.047   74.502   11.446  111.014   8.6727  104.297   8.0985 6.716881 11.86601 
1 1 1  -18    9   68 o  139.804   5.3346  133.542   10.081  137.146   14.870  130.476   13.714  141.507   7.7547  138.102   7.3277 3.404694 10.66910 
1 1 1  -18    9   69 o  120.357   5.6819   99.321   9.2220  100.192   13.761   98.610   12.425  120.764   8.4088  119.950   7.6437 0.8140945 11.36372 
1 1 1  -18    9   70 o   95.638   9.1980   64.329   11.876   57.744   16.710   71.050   16.881   90.522   13.622  100.754   12.364 -10.23203 18.39597 
1 1 1  -18    9   71 o  131.122   11.076  119.871   19.680   0.0000   0.0000  119.871   19.680  ?   ?   131.122   11.076      ?      ? 
1 1 1  -18    9   72 o   66.520   9.8975   29.380   8.6642   20.305   10.772   46.010   14.582   52.479   14.609   80.561   13.357 -28.08150 19.79497 
1 1 1  -18    9   73 o   67.975   7.7364   33.016   6.8980   30.734   10.215   34.928   9.3528   65.103   12.021   70.846   9.7419 -5.743027 15.47279 
1 1 1  -18    9   74 o   65.568   7.7813   30.444   6.7557   33.612   9.9904   27.775   9.1702   69.213   10.652   61.922   11.346 7.290672 15.56257 
1 1 1  -18    9   75 f  102.202   5.8985   72.374   8.1563   74.041   11.928   70.909   11.178  103.254   8.5244  101.151   8.1550 2.102951 11.79704 
1 1 1  -18    9   76 o  120.471   5.5305   99.629   8.9780  115.415   13.406   86.792   12.089  129.094   7.6632  111.847   7.9762 17.24677 11.06099 
1 1 1  -18    9   77 o   55.560   8.9369   22.752   6.5839   27.818   9.8496   18.659   8.8522   61.262   12.292   49.859   12.976 11.40345 17.87377 
1 1 1  -18    9   78 f   89.881   7.5135   54.921   8.5964   65.298   15.507   50.317   10.329   95.119   12.030   84.644   9.0048 10.47578 15.02699 
1 1 1  -18    9   79 o  161.028   6.2738  183.464   12.827  179.451   22.258  185.459   15.695  158.617   10.355  163.439   7.0862 -4.821930 12.54752 
1 1 1  -18    9   80 o   48.506   10.402   18.633   7.3565   14.315   13.097   20.623   8.8916   45.000   16.462   52.012   12.721 -7.011677 20.80423 
1 1 1  -18    9   81 o  104.035   7.9632   79.382   11.104   70.280   16.201   87.444   15.248   97.722   12.234  110.348   10.197 -12.62663 15.92644 
1 1 1  -18    9   82 o   38.991   15.425   8.7696   12.081   8.7696   12.081   0.0000   0.0000   38.991   15.425  ?   ?       ?      ? 
1 1 1  -18    9   83 o   64.782   15.798   34.129   13.745   34.129   13.745   0.0000   0.0000   64.782   15.798  ?   ?       ?      ? 
1 1 1  -18    9   84 f   75.679   14.317   45.180   14.145   45.180   14.145   0.0000   0.0000   75.679   14.317  ?   ?       ?      ? 
1 1 1  -18    9   85 o   59.128   16.283   29.250   13.462   29.250   13.462   0.0000   0.0000   59.128   16.283  ?   ?       ?      ? 
1 1 1  -18   10    1 o   75.623   5.4302   38.861   5.5511   38.169   8.1011   39.474   7.6216   74.982   7.9727   76.263   7.3747 -1.281151 10.86049 
1 1 1  -18   10    2 o  212.710   4.4596  306.911   12.853  314.350   18.265  299.616   18.089  215.265   6.2614  210.156   6.3518 5.108963 8.919149 
1 1 1  -18   10    3 o  205.835   4.4754  287.118   12.472  270.078   17.360  305.293   17.929  199.527   6.4205  212.143   6.2366 -12.61655 8.950805 
1 1 1  -18   10    4 o  254.238   6.1066  442.579   19.097  447.766   22.739  430.162   35.182  256.906   6.5316  251.568   10.320 5.338089 12.21324 
1 1 1  -18   10    5 o  403.730   7.2022  1124.64   36.696  1155.88   44.766  1060.65   64.070  412.641   8.0055  394.819   11.975 17.82190 14.40438 
1 1 1  -18   10    6 o  215.398   6.4145  314.744   18.723   0.0000   0.0000  314.744   18.723  ?   ?   215.398   6.4145      ?      ? 
1 1 1  -18   10    7 o  234.568   4.9533  369.241   14.310  363.654   16.940  383.164   26.742  231.571   5.3981  237.564   8.3067 -5.993576 9.906591 
1 1 1  -18   10    8 o  323.642   5.5710  690.938   21.661  668.887   25.144  754.411   42.660  314.037   5.9083  333.248   9.4464 -19.21088 11.14194 
1 1 1  -18   10    9 o   93.066   5.1753   57.196   6.3712   52.043   8.0351   65.921   10.456   87.583   6.7700   98.549   7.8297 -10.96632 10.35068 
1 1 1  -18   10   10 o  311.580   5.5529  660.593   21.025  662.653   24.779  655.298   39.732  312.573   5.8500  310.587   9.4400 1.985962 11.10570 
1 1 1  -18   10   11 o  223.917   5.0156  346.935   13.919  357.474   16.747  323.383   25.034  229.596   5.3825  218.238   8.4650 11.35732 10.03127 
1 1 1  -18   10   12 o  214.005   4.8658  304.233   12.943  294.894   15.369  327.012   24.002  208.530   5.4385  219.479   8.0701 -10.94876 9.731603 
1 1 1  -18   10   13 o  410.596   6.4064  1127.88   31.422  1109.20   36.482  1181.52   61.839  404.340   6.6581  416.852   10.947 -12.51172 12.81289 
1 1 1  -18   10   14 o  263.739   5.1148  457.637   16.521  439.607   19.377  505.638   31.617  254.597   5.6163  272.882   8.5499 -18.28462 10.22956 
1 1 1  -18   10   15 o  206.940   5.3008  287.565   14.658  273.286   19.001  308.554   23.036  200.685   6.9868  213.195   7.9736 -12.50954 10.60160 
1 1 1  -18   10   16 o  205.426   5.3904  288.922   14.785  302.977   19.597  270.354   22.525  211.311   6.8438  199.542   8.3299 11.76836 10.78072 
1 1 1  -18   10   17 o   84.212   5.4101   46.994   6.0718   42.246   7.7759   54.413   9.7192   78.897   7.2729   89.526   8.0112 -10.62833 10.82011 
1 1 1  -18   10   18 o  183.911   4.9272  233.546   11.360  240.545   13.787  218.752   20.046  188.332   5.4023  179.490   8.2416 8.842026 9.854411 
1 1 1  -18   10   19 o  305.553   5.4998  626.576   20.438  617.631   23.997  650.204   39.000  301.753   5.8686  309.353   9.3032 -7.599792 10.99953 
1 1 1  -18   10   20 o  235.752   5.0887  380.064   14.844  384.300   17.746  370.193   27.090  238.038   5.5013  233.466   8.5624 4.571960 10.17737 
1 1 1  -18   10   21 o  322.369   5.6538  671.414   21.702  637.018   24.966  777.794   43.905  306.437   6.0120  338.300   9.5769 -31.86298 11.30758 
1 1 1  -18   10   22 o  245.492   5.5945  408.775   18.611  408.775   18.611   0.0000   0.0000  245.492   5.5945  ?   ?       ?      ? 
1 1 1  -18   10   23 o  377.565   6.2837  998.008   28.919  1039.63   34.510  899.849   52.995  391.425   6.5060  363.704   10.752 27.72058 12.56742 
1 1 1  -18   10   24 o  235.615   5.2332  388.956   15.235  408.269   18.390  346.707   27.200  245.337   5.5314  225.893   8.8854 19.44389 10.46643 
1 1 1  -18   10   25 o  439.876   6.7276  1272.67   34.916  1231.03   40.126  1402.49   70.852  425.873   6.9529  453.878   11.519 -28.00464 13.45513 
1 1 1  -18   10   26 o  102.639   5.4698   71.988   7.3187   73.232   9.2156   69.862   12.043  103.880   6.5465  101.398   8.7646 2.481964 10.93965 
1 1 1  -18   10   27 o  172.640   4.8821  198.090   10.683  190.822   12.877  214.142   19.135  167.716   5.6656  177.564   7.9525 -9.847961 9.764220 
1 1 1  -18   10   28 f  351.204   5.3022  837.315   25.228  847.526   36.196  827.669   35.180  353.280   7.5607  349.129   7.4358 4.150269 10.60450 
1 1 1  -18   10   29 o  138.031   4.6837  129.429   8.7260  128.063   12.893  130.584   11.853  137.347   6.9271  138.715   6.3057 -1.368179 9.367319 
1 1 1  -18   10   30 o  153.597   4.6333  159.831   9.6148  163.860   14.233  156.449   13.040  155.365   6.7602  151.828   6.3378 3.537094 9.266510 
1 1 1  -18   10   31 o  378.522   5.4982  972.970   28.194  985.291   40.469  961.348   39.303  380.842   7.8414  376.202   7.7094 4.639557 10.99643 
1 1 1  -18   10   32 o  104.764   6.9943   80.511   8.5153   63.042   16.119   87.273   10.029   96.140   12.373  113.387   6.5269 -17.24685 13.98860 
1 1 1  -18   10   33 o  235.934   5.8163  371.911   17.096  394.517   31.476  362.452   20.361  240.801   9.6457  231.068   6.5023 9.732574 11.63266 
1 1 1  -18   10   34 o   45.937   8.6849   14.969   5.4699   13.984   8.5350   15.655   7.1256   44.877   13.172   46.996   11.323 -2.119377 17.36975 
1 1 1  -18   10   35 f  268.182   4.8331  488.520   17.549  462.547   24.712  514.944   24.925  260.976   6.9875  275.388   6.6790 -14.41260 9.666142 
1 1 1  -18   10   36 o  176.586   4.6431  212.171   11.087  201.966   15.947  221.720   15.425  172.453   6.8236  180.720   6.2987 -8.267242 9.286269 
1 1 1  -18   10   37 o  269.570   4.8682  493.246   17.776  503.402   25.603  483.795   24.699  272.242   6.9400  266.898   6.8290 5.344360 9.736446 
1 1 1  -18   10   38 o  157.678   6.9111  168.878   14.767  168.878   14.767   0.0000   0.0000  157.678   6.9111  ?   ?       ?      ? 
1 1 1  -18   10   39 o  220.762   6.7817  331.035   20.288  331.035   20.288   0.0000   0.0000  220.762   6.7817  ?   ?       ?      ? 
1 1 1  -18   10   40 o  328.372   6.2255  726.601   26.458  710.221   32.693  757.690   45.039  323.259   7.4631  333.486   9.9663 -10.22638 12.45091 
1 1 1  -18   10   41 o  183.721   4.7866  230.129   11.862  205.932   16.847  253.923   16.706  174.081   7.1414  193.361   6.3755 -19.28003 9.573258 
1 1 1  -18   10   42 o  304.087   5.0868  627.400   20.942  653.433   30.428  603.970   28.867  310.064   7.2417  298.110   7.1455 11.95419 10.17354 
1 1 1  -18   10   43 o  157.993   4.8699  168.890   10.403  181.245   15.346  158.385   14.151  163.313   6.9341  152.672   6.8398 10.64046 9.739890 
1 1 1  -18   10   44 o  214.244   4.7813  311.137   13.864  327.864   20.236  296.344   19.031  219.654   6.7985  208.835   6.7247 10.81859 9.562510 
1 1 1  -18   10   45 o  239.745   4.8291  390.790   15.683  381.677   22.309  399.694   22.051  236.968   6.9473  242.522   6.7096 -5.554092 9.658285 
1 1 1  -18   10   46 o  344.340   5.3779  806.539   25.090  785.365   35.384  827.948   35.581  339.780   7.6847  348.899   7.5254 -9.118347 10.75576 
1 1 1  -18   10   47 o  141.384   5.0842  135.573   9.7161  140.680   14.360  131.260   13.195  143.821   7.3680  138.948   7.0077 4.873566 10.16835 
1 1 1  -18   10   48 o  260.960   6.8515  462.978   24.229   0.0000   0.0000  462.978   24.229  ?   ?   260.960   6.8515      ?      ? 
1 1 1  -18   10   49 o  206.805   6.6572  290.734   18.657   0.0000   0.0000  290.734   18.657  ?   ?   206.805   6.6572      ?      ? 
1 1 1  -18   10   50 o  275.433   5.0642  516.231   18.888  510.388   27.147  521.715   26.297  273.898   7.3139  276.967   7.0065 -3.069122 10.12840 
1 1 1  -18   10   51 o  150.231   5.0391  153.158   10.235  158.758   15.098  148.396   13.921  152.751   7.2937  147.710   6.9549 5.040985 10.07810 
1 1 1  -18   10   52 o  181.320   5.0628  223.912   12.412  220.107   18.086  227.299   17.065  179.834   7.4213  182.805   6.8887 -2.970734 10.12568 
1 1 1  -18   10   53 o  196.779   5.0199  263.658   13.360  260.341   19.444  266.624   18.388  195.578   7.3364  197.980   6.8539 -2.402451 10.03987 
1 1 1  -18   10   54 o  290.862   6.4353  574.306   23.845  568.538   29.059  586.194   41.718  288.984   7.4204  292.740   10.516 -3.755676 12.87064 
1 1 1  -18   10   55 o  257.673   5.0779  452.044   17.727  444.672   25.185  459.284   24.957  255.576   7.2718  259.771   7.0895 -4.195496 10.15574 
1 1 1  -18   10   56 o  179.296   5.0618  218.906   12.280  217.924   17.845  219.790   16.924  178.889   7.3613  179.702   6.9499 -0.8130646 10.12369 
1 1 1  -18   10   57 o  128.685   7.5491  113.863   13.005  110.638   19.843  116.293   17.220  126.963   11.533  130.407   9.7441 -3.443161 15.09815 
1 1 1  -18   10   58 o  163.311   6.3066  181.812   12.818  183.132   23.334  181.242   15.340  163.474   10.533  163.148   6.9385 0.3254852 12.61324 
1 1 1  -18   10   59 o  327.291   5.3945  730.631   23.918  715.649   34.010  745.291   33.642  323.938   7.7476  330.644   7.5083 -6.705750 10.78891 
1 1 1  -18   10   60 o  216.930   4.9715  321.053   14.595  311.110   20.976  330.384   20.321  213.632   7.2457  220.228   6.8090 -6.595886 9.943014 
1 1 1  -18   10   61 o  154.506   5.1539  163.618   10.736  148.676   15.446  177.584   14.934  147.586   7.7233  161.426   6.8266 -13.84052 10.30783 
1 1 1  -18   10   62 o  110.512   6.6666   84.623   9.7993   89.087   12.900   78.532   15.068  114.136   8.3403  106.888   10.403 7.247925 13.33320 
1 1 1  -18   10   63 f   48.793   10.757   10.844   8.7732   31.352   14.601  -0.7441   10.976   65.504   16.466   32.082   13.845 33.42110 21.51356 
1 1 1  -18   10   64 o  114.679   7.0557   87.738   10.045   97.464   18.774   83.836   11.891  118.670   11.674  110.688   7.9273 7.981865 14.11133 
1 1 1  -18   10   65 o  196.951   4.9796  264.267   13.261  276.378   19.561  253.969   18.039  201.081   7.1784  192.820   6.9034 8.261124 9.959287 
1 1 1  -18   10   66 o  204.880   5.0220  288.203   13.883  261.333   19.833  314.016   19.439  195.374   7.4909  214.387   6.6910 -19.01363 10.04407 
1 1 1  -18   10   67 o  170.359   5.1004  197.965   11.738  207.965   17.444  189.690   15.869  174.232   7.3883  166.486   7.0336 7.745850 10.20089 
1 1 1  -18   10   68 o  105.023   6.0689   76.507   8.5700   69.446   12.519   82.734   11.756  100.301   9.2108  109.744   7.9050 -9.443443 12.13786 
1 1 1  -18   10   69 o   64.038   11.668   31.021   10.452   21.864   15.124   39.391   14.460   55.007   17.791   73.070   15.102 -18.06381 23.33655 
1 1 1  -18   10   70 o   31.283   9.5960  -0.0027   6.7253   0.0921   13.167  -0.0362   7.8227   35.180   15.173   27.386   11.752 7.794151 19.19209 
1 1 1  -18   10   71 o  121.734   5.5168  102.748   9.0466   94.598   13.165  110.040   12.452  116.994   8.3039  126.473   7.2654 -9.479378 11.03362 
1 1 1  -18   10   72 o   59.174   8.7380   25.315   6.7536   29.961   10.230   21.726   8.9914   64.054   12.232   54.294   12.482 9.759270 17.47602 
1 1 1  -18   10   73 o  134.673   5.2684  125.103   9.6033  128.268   13.991  122.284   13.205  136.237   7.5785  133.108   7.3207 3.129074 10.53688 
1 1 1  -18   10   74 o   60.828   8.3674   28.841   6.7403   12.664   9.7327   43.750   9.3437   42.431   14.294   79.225   8.7031 -36.79403 16.73485 
1 1 1  -18   10   75 o   42.757   9.0992   13.151   6.3014   4.5407   9.3570   20.297   8.5242   33.344   13.445   52.169   12.264 -18.82486 18.19836 
1 1 1  -18   10   76 o   66.698   9.7604   35.081   8.0761   28.229   14.262   38.315   9.7985   59.783   16.869   73.613   9.8224 -13.83018 19.52075 
1 1 1  -18   10   77 o  113.913   8.1502   93.608   12.576   91.969   17.484   95.366   18.103  112.942   11.423  114.884   11.628 -1.941978 16.30039 
1 1 1  -18   10   78 o   26.768   8.9050 -10.3022   8.3119  -7.4491   11.108 -13.9324   12.530   27.191   12.614   26.345   12.574 0.8455906 17.81005 
1 1 1  -18   10   79 o   37.625   10.447   7.2126   7.7886   12.060   12.012   3.6960   10.231   42.115   15.700   33.136   13.785 8.978210 20.89340 
1 1 1  -18   10   80 o   69.873   10.243   38.023   9.3354   41.042   14.064   35.645   12.482   72.145   14.879   67.601   14.082 4.544319 20.48680 
1 1 1  -18   10   81 o  138.490   10.700  139.605   20.082  139.605   20.082   0.0000   0.0000  138.490   10.700  ?   ?       ?      ? 
1 1 1  -18   10   82 o   54.496   16.290   24.551   12.958   24.551   12.958   0.0000   0.0000   54.496   16.290  ?   ?       ?      ? 
1 1 1  -18   10   83 o   33.384   14.334   2.6039   11.649   2.6039   11.649   0.0000   0.0000   33.384   14.334  ?   ?       ?      ? 
1 1 1  -18   11    1 o  122.085   6.8410   98.988   9.6910   96.851   11.074  105.978   20.026  119.448   6.8413  124.722   11.849 -5.274147 13.68198 
1 1 1  -18   11    2 o  439.899   7.5263  1294.48   41.184  1261.71   48.999  1373.37   76.017  430.937   8.3905  448.861   12.497 -17.92416 15.05260 
1 1 1  -18   11    3 o  235.552   4.6649  376.561   14.890  375.527   20.920  377.622   21.197  235.227   6.5628  235.878   6.6313 -0.6511383 9.329808 
1 1 1  -18   11    4 o  449.568   6.0894  1373.31   37.098  1374.07   52.304  1372.53   52.625  449.698   8.5828  449.439   8.6405 0.2590942 12.17883 
1 1 1  -18   11    5 o  165.982   4.6162  186.818   10.366  172.499   14.445  202.025   14.886  159.423   6.6861  172.542   6.3666 -13.11839 9.232382 
1 1 1  -18   11    6 o  427.582   5.8952  1241.87   34.156  1232.41   47.913  1251.64   48.703  425.932   8.3010  429.232   8.3731 -3.300110 11.79044 
1 1 1  -18   11    7 o  280.204   4.9073  532.815   18.629  549.482   26.555  516.661   26.142  284.522   6.8872  275.886   6.9925 8.635468 9.814694 
1 1 1  -18   11    8 o  497.032   7.3356  1665.09   43.254  1648.75   50.117  1712.80   85.637  492.771   7.5051  501.294   12.606 -8.522430 14.67114 
1 1 1  -18   11    9 o  155.869   4.9377  165.611   9.7685  166.923   11.914  162.919   17.065  156.865   5.6045  154.873   8.1309 1.992615 9.875310 
1 1 1  -18   11   10 o  487.259   7.2798  1637.18   42.639  1663.97   50.100  1566.78   81.209  495.045   7.4681  479.473   12.498 15.57153 14.55965 
1 1 1  -18   11   11 o  284.933   5.4120  553.236   18.832  555.793   22.274  546.826   35.267  286.228   5.7424  283.638   9.1752 2.589600 10.82404 
1 1 1  -18   11   12 f  441.350   6.7316  1291.73   35.152  1258.92   40.523  1391.50   70.658  430.655   6.9437  452.046   11.534 -21.39111 13.46324 
1 1 1  -18   11   13 o  161.914   5.4193  177.360   11.843  171.023   15.939  185.171   17.697  158.709   7.4112  165.119   7.9088 -6.410675 10.83854 
1 1 1  -18   11   14 o  432.272   7.1759  1269.71   40.405  1266.20   50.565  1275.91   67.205  431.678   8.6439  432.865   11.457 -1.186981 14.35184 
1 1 1  -18   11   15 o  223.212   5.0236  337.715   13.949  336.917   16.685  339.566   25.424  222.860   5.5249  223.564   8.3918 -0.7039032 10.04718 
1 1 1  -18   11   16 o  457.052   6.9237  1406.19   37.703  1390.55   43.771  1451.13   74.217  452.575   7.1370  461.529   11.866 -8.954102 13.84739 
1 1 1  -18   11   17 o  128.895   5.0893  114.253   8.4569  117.741   10.543  107.960   14.161  131.732   5.9062  126.059   8.2898 5.673157 10.17859 
1 1 1  -18   11   18 o  444.874   6.8351  1347.13   36.496  1348.52   42.674  1343.35   70.423  445.682   7.0656  444.066   11.703 1.616333 13.67026 
1 1 1  -18   11   19 o  453.338   7.1525  1395.35   43.940  1395.35   43.940   0.0000   0.0000  453.338   7.1525  ?   ?       ?      ? 
1 1 1  -18   11   20 o  413.402   6.7820  1160.13   37.994  1160.13   37.994   0.0000   0.0000  413.402   6.7820  ?   ?       ?      ? 
1 1 1  -18   11   21 o  207.869   4.9741  291.380   12.921  288.279   15.478  298.507   23.468  206.137   5.5409  209.600   8.2624 -3.463211 9.948295 
1 1 1  -18   11   22 o  262.131   5.3056  467.911   17.118  469.652   20.348  463.697   31.661  263.097   5.7072  261.165   8.9458 1.932129 10.61129 
1 1 1  -18   11   23 o  459.368   7.0030  1434.33   38.516  1432.70   44.948  1438.83   74.714  459.325   7.2212  459.412   12.001 -0.8654785E-01 14.00609 
1 1 1  -18   11   24 f  351.307   5.9121  816.006   24.910  791.184   28.897  887.794   49.142  341.425   6.2456  361.188   10.040 -19.76309 11.82416 
1 1 1  -18   11   25 o  132.305   5.0178  116.362   8.5736  110.988   10.514  127.027   14.812  127.882   6.0671  136.729   7.9939 -8.846809 10.03556 
1 1 1  -18   11   26 o  232.994   5.2220  377.280   15.071  390.818   18.154  347.261   27.033  239.997   5.5818  225.991   8.8272 14.00655 10.44394 
1 1 1  -18   11   27 o  116.013   5.1545   89.174   7.8312   83.263   9.7442   99.955   13.160  110.746   6.4928  121.279   8.0074 -10.53256 10.30898 
1 1 1  -18   11   28 o  304.864   5.6629  643.906   21.170  661.459   25.260  602.481   38.805  312.184   5.9710  297.544   9.6239 14.64044 11.32576 
1 1 1  -18   11   29 o  145.041   5.0491  142.752   9.4122  142.458   11.594  143.320   16.118  144.878   5.9056  145.203   8.1913 -0.3248444 10.09816 
1 1 1  -18   11   30 o  299.153   6.0285  610.109   23.777  615.430   30.377  601.694   38.203  300.968   7.4481  297.339   9.4813 3.629242 12.05692 
1 1 1  -18   11   31 o   90.352   7.5483   58.897   7.7754   49.525   15.460   62.070   8.9959   85.109   13.405   95.595   6.9442 -10.48598 15.09668 
1 1 1  -18   11   32 o  200.416   5.4507  276.874   14.402  291.753   18.641  254.842   22.685  207.270   6.6368  193.562   8.6483 13.70822 10.90137 
1 1 1  -18   11   33 o  109.072   5.8302   79.231   8.5109   64.544   11.225   99.094   13.054   97.414   8.5030  120.730   7.9789 -23.31608 11.66031 
1 1 1  -18   11   34 o  235.742   5.5551  375.860   17.187  370.091   21.671  385.639   28.217  233.412   6.8515  238.073   8.7461 -4.661285 11.11018 
1 1 1  -18   11   35 o  336.984   5.2946  771.016   24.165  798.913   34.874  745.250   33.515  342.838   7.5064  331.129   7.4690 11.70917 10.58928 
1 1 1  -18   11   36 o  296.850   6.3032  602.349   23.857  607.436   29.231  592.200   41.288  298.968   7.2151  294.732   10.338 4.236206 12.60643 
1 1 1  -18   11   37 o  278.196   6.1864  525.745   21.915  523.793   26.735  529.744   38.263  277.623   7.1062  278.768   10.129 -1.144897 12.37290 
1 1 1  -18   11   38 o  177.861   4.7212  214.971   11.354  214.249   16.600  215.605   15.565  177.564   6.8987  178.158   6.4471 -0.5937195 9.442305 
1 1 1  -18   11   39 o  344.423   5.3452  806.536   24.941  811.367   35.742  801.951   34.821  345.416   7.6358  343.431   7.4819 1.985107 10.69044 
1 1 1  -18   11   40 o  391.667   5.6818  1043.43   30.149  1056.06   43.227  1031.47   42.070  393.962   8.0969  389.373   7.9731 4.588623 11.36357 
1 1 1  -18   11   41 o  111.454   5.3859   85.429   8.0432   75.155   11.793   94.365   10.998  105.080   8.2816  117.828   6.8881 -12.74828 10.77174 
1 1 1  -18   11   42 o  128.352   5.2132  113.589   8.9405   96.127   13.024  129.149   12.295  118.846   8.0869  137.858   6.5812 -19.01178 10.42644 
1 1 1  -18   11   43 o  331.337   7.6163  746.878   34.197  746.878   34.197   0.0000   0.0000  331.337   7.6163  ?   ?       ?      ? 
1 1 1  -18   11   44 o  349.597   6.5782  815.524   29.018  881.764   52.404  786.231   34.848  359.250   10.764  339.943   7.5647 19.30682 13.15645 
1 1 1  -18   11   45 o  166.121   5.9527  190.762   12.357  180.602   21.984  195.455   14.941  162.665   9.9732  169.578   6.5017 -6.913147 11.90531 
1 1 1  -18   11   46 o  115.192   7.1338   94.029   9.6392   83.657   18.673   97.796   11.255  110.464   12.474  119.921   6.9256 -9.456673 14.26768 
1 1 1  -18   11   47 o   87.267   7.9823   52.946   8.3496   50.302   15.925   53.949   9.8054   85.533   13.739   89.001   8.1300 -3.468040 15.96454 
1 1 1  -18   11   48 o  197.196   4.9313  265.142   13.137  254.866   19.120  274.330   18.080  193.532   7.2905  200.859   6.6423 -7.326630 9.862682 
1 1 1  -18   11   49 o  184.957   4.9808  232.912   12.453  230.204   18.211  235.291   17.065  183.917   7.3070  185.996   6.7707 -2.078888 9.961631 
1 1 1  -18   11   50 o  228.387   4.9269  355.339   15.224  345.248   21.975  364.650   21.110  225.234   7.1997  231.541   6.7278 -6.306442 9.853852 
1 1 1  -18   11   51 o  153.357   5.1026  158.785   10.559  174.960   15.844  145.864   14.162  160.318   7.2931  146.396   7.1384 13.92183 10.20519 
1 1 1  -18   11   52 o  224.872   7.3354  344.302   22.353  344.302   22.353   0.0000   0.0000  224.872   7.3354  ?   ?       ?      ? 
1 1 1  -18   11   53 o  188.009   7.2859  241.739   18.556  234.276   25.867  249.653   26.636  185.018   10.317  190.999   10.291 -5.980438 14.57178 
1 1 1  -18   11   54 o  117.533   5.5996   94.376   8.8476   92.536   13.310   95.832   11.843  116.456   8.4341  118.609   7.3681 -2.153809 11.19923 
1 1 1  -18   11   55 o  150.881   5.1914  156.194   10.539  141.168   15.319  169.701   14.523  143.882   7.8565  157.881   6.7881 -13.99953 10.38285 
1 1 1  -18   11   56 o  176.982   4.9953  213.545   11.961  210.427   17.341  216.375   16.520  175.718   7.2825  178.245   6.8393 -2.526993 9.990566 
1 1 1  -18   11   57 o  106.093   5.9437   78.177   8.3991   66.661   12.438   87.830   11.388   98.693   9.2998  113.492   7.4043 -14.79868 11.88739 
1 1 1  -18   11   58 o   94.546   6.3439   59.661   8.0221   74.459   12.461   49.186   10.483  104.328   8.8139   84.764   9.1265 19.56333 12.68775 
1 1 1  -18   11   59 o  106.930   8.8407   78.280   12.811   78.280   12.811   0.0000   0.0000  106.930   8.8407  ?   ?       ?      ? 
1 1 1  -18   11   60 o  135.509   6.3179  129.126   11.264  144.645   14.880  108.302   17.237  145.514   7.5462  125.504   10.135 20.00970 12.63579 
1 1 1  -18   11   61 f  136.273   6.3064  128.802   11.464  137.236   15.257  117.867   17.373  141.624   7.9499  130.921   9.7920 10.70245 12.61281 
1 1 1  -18   11   62 o  109.083   7.6863   89.973   9.8523   65.309   17.807  100.855   11.828   96.688   13.590  121.478   7.1849 -24.79008 15.37263 
1 1 1  -18   11   63 o  203.208   4.9984  282.430   13.719  281.179   20.216  283.497   18.677  202.714   7.3593  203.702   6.7659 -0.9877167 9.996845 
1 1 1  -18   11   64 o  156.268   5.2164  166.805   10.985  171.265   16.519  163.269   14.708  158.059   7.7123  154.478   7.0261 3.580811 10.43290 
1 1 1  -18   11   65 o   63.021   8.6841   28.187   7.0778   31.944   11.011   25.543   9.2392   66.514   12.679   59.528   11.870 6.986721 17.36827 
1 1 1  -18   11   66 o  110.812   5.8294   84.578   8.6890   84.050   13.080   84.995   11.624  110.394   8.7437  111.230   7.7119 -0.8361359 11.65871 
1 1 1  -18   11   67 o  225.115   7.3038  352.804   22.274  345.453   31.655  360.014   31.347  222.699   10.489  227.532   10.166 -4.832932 14.60760 
1 1 1  -18   11   68 o  123.714   6.8980  107.058   10.411  104.950   19.413  107.909   12.334  122.145   11.728  125.283   7.2651 -3.138069 13.79602 
1 1 1  -18   11   69 o  133.932   5.3150  123.572   9.5943  124.100   14.341  123.144   12.908  134.075   7.8933  133.789   7.1198 0.2862396 10.62992 
1 1 1  -18   11   70 o  120.191   5.5219   99.654   8.9646  102.246   13.290   97.491   12.143  121.541   8.0692  118.840   7.5400 2.701042 11.04374 
1 1 1  -18   11   71 o  106.077   5.7632   78.826   8.1912   71.176   12.130   85.240   11.106  101.075   8.8556  111.078   7.3781 -10.00372 11.52647 
1 1 1  -18   11   72 f   69.768   7.5049   33.908   6.7952   44.998   10.514   25.954   8.9048   80.032   9.6946   59.504   11.459 20.52855 15.00982 
1 1 1  -18   11   73 o   42.019   8.6473   10.447   5.9303   23.229   9.2550   1.5438   7.7244   55.726   12.557   28.312   11.893 27.41405 17.29459 
1 1 1  -18   11   74 o  106.398   5.7423   79.896   8.1815   70.570   12.019   87.948   11.169  100.255   8.8468  112.541   7.3232 -12.28629 11.48452 
1 1 1  -18   11   75 o   78.101   8.2330   41.802   8.0339   50.458   15.034   38.343   9.5049   82.637   13.425   73.565   9.5344 9.071846 16.46597 
1 1 1  -18   11   76 o   80.887   8.3197   48.007   8.1028   48.340   14.702   47.862   9.7107   79.401   14.184   82.373   8.6993 -2.971802 16.63948 
1 1 1  -18   11   77 o   36.946   9.8802   7.4382   7.4585  -2.7246   11.884   14.043   9.5802   30.697   13.772   43.195   14.171 -12.49730 19.76040 
1 1 1  -18   11   78 o   54.552   9.5012   23.282   8.2735   5.8759   12.113   38.504   11.327   36.644   15.100   72.460   11.536 -35.81591 19.00246 
1 1 1  -18   11   79 o   51.359   16.030   21.383   12.373   21.383   12.373   0.0000   0.0000   51.359   16.030  ?   ?       ?      ? 
1 1 1  -18   11   80 o   61.135   15.898   30.750   13.295   30.750   13.295   0.0000   0.0000   61.135   15.898  ?   ?       ?      ? 
1 1 1  -18   11   81 o   37.952   15.299   8.0691   12.112   8.0691   12.112   0.0000   0.0000   37.952   15.299  ?   ?       ?      ? 
1 1 1  -18   11   82 o   65.179   16.072   35.475   14.106   35.475   14.106   0.0000   0.0000   65.179   16.072  ?   ?       ?      ? 
1 1 1  -18   12    1 o  162.905   7.3498  181.415   16.162  191.508   22.321  170.293   23.431  167.731   9.8204  158.080   10.938 9.650635 14.69965 
1 1 1  -18   12    2 o  158.692   6.2354  170.567   11.811  169.793   13.747  172.748   23.078  158.146   6.4147  159.239   10.695 -1.093155 12.47083 
1 1 1  -18   12    3 o  264.940   4.7976  476.712   17.222  485.278   24.308  468.079   24.404  267.336   6.7097  262.543   6.8592 4.792542 9.595247 
1 1 1  -18   12    4 f  393.126   5.6494  1049.83   30.089  1029.76   41.966  1071.07   43.164  389.266   7.9554  396.987   8.0235 -7.721497 11.29890 
1 1 1  -18   12    5 o  199.156   4.6205  269.035   12.463  256.852   17.356  282.003   17.907  194.503   6.5848  203.809   6.4835 -9.306763 9.240971 
1 1 1  -18   12    6 o  180.550   4.6125  221.064   11.269  204.636   15.673  238.642   16.213  173.607   6.6620  187.493   6.3811 -13.88657 9.224997 
1 1 1  -18   12    7 o  341.714   5.2763  793.240   24.432  804.110   34.596  782.427   34.507  344.055   7.4203  339.374   7.5032 4.680115 10.55263 
1 1 1  -18   12    8 f  169.278   5.0857  201.582   10.646  212.980   12.886  177.074   18.895  177.176   5.3671  161.381   8.6401 15.79485 10.17134 
1 1 1  -18   12    9 o  330.148   5.7328  721.676   22.652  701.070   26.257  781.640   44.790  321.395   6.0287  338.901   9.7528 -17.50616 11.46569 
1 1 1  -18   12   10 o  171.568   5.3716  197.675   12.354  185.344   16.130  215.176   19.215  165.193   7.2053  177.944   7.9686 -12.75113 10.74312 
1 1 1  -18   12   11 o  359.780   6.4575  866.213   30.164  832.802   37.289  929.471   51.309  350.085   7.8600  369.476   10.248 -19.39127 12.91493 
1 1 1  -18   12   12 o  184.762   8.2592  232.035   20.679   0.0000   0.0000  232.035   20.679  ?   ?   184.762   8.2592      ?      ? 
1 1 1  -18   12   13 o  196.125   4.9647  258.404   12.131  254.165   14.479  268.393   22.224  193.541   5.5205  198.710   8.2532 -5.169327 9.929311 
1 1 1  -18   12   14 o  385.563   6.2968  1015.70   29.286  1021.38   34.384  1000.68   55.891  387.866   6.5417  383.260   10.761 4.605316 12.59363 
1 1 1  -18   12   15 o  263.613   5.3283  474.782   17.270  478.521   20.536  465.752   31.914  265.546   5.7068  261.680   8.9997 3.865845 10.65658 
1 1 1  -18   12   16 o  153.750   5.0153  162.488   9.7449  166.077   11.883  155.120   17.028  156.442   5.6054  151.057   8.3182 5.384521 10.03062 
1 1 1  -18   12   17 o  154.171   5.7274  161.302   11.966  161.302   11.966   0.0000   0.0000  154.171   5.7274  ?   ?       ?      ? 
1 1 1  -18   12   18 o  266.716   5.9154  492.019   20.816  526.550   27.122  442.519   32.472  278.419   7.1884  255.012   9.3965 23.40735 11.83076 
1 1 1  -18   12   19 o   96.767   5.5279   63.274   7.0431   62.139   8.9202   65.153   11.477   95.653   6.8816   97.880   8.6529 -2.226646 11.05574 
1 1 1  -18   12   20 o  176.331   4.8904  205.844   10.908  196.934   13.107  225.922   19.676  170.348   5.6779  182.314   7.9639 -11.96631 9.780744 
1 1 1  -18   12   21 o  156.852   5.0484  168.533   10.097  171.383   12.398  162.921   17.399  158.908   5.7572  154.796   8.2945 4.111526 10.09673 
1 1 1  -18   12   22 o  290.993   5.8621  573.744   22.229  568.500   27.789  583.061   37.041  289.290   7.0886  292.696   9.3386 -3.406067 11.72419 
1 1 1  -18   12   23 o  376.884   6.6173  966.779   32.328  966.740   40.237  966.850   54.297  377.122   7.8733  376.647   10.638 0.4758301 13.23465 
1 1 1  -18   12   24 o   82.494   6.5561   46.293   7.3210   45.785   10.095   46.856   10.633   82.025   9.0818   82.963   9.4578 -0.9386749 13.11217 
1 1 1  -18   12   25 o  331.416   6.1672  738.155   26.477  717.229   32.711  777.916   45.090  324.872   7.4301  337.961   9.8453 -13.08923 12.33432 
1 1 1  -18   12   26 o  227.687   5.4813  351.766   16.410  349.761   20.799  355.073   26.709  226.918   6.7638  228.457   8.6272 -1.538513 10.96261 
1 1 1  -18   12   27 o  216.920   5.4275  317.891   15.507  311.672   19.645  328.173   25.261  214.201   6.7676  219.639   8.4871 -5.437881 10.85504 
1 1 1  -18   12   28 o  224.908   5.5832  338.578   16.721  317.014   21.448  371.989   26.698  215.975   7.3284  233.840   8.4251 -17.86465 11.16633 
1 1 1  -18   12   29 o  123.996   5.8794  104.455   9.8711  101.357   13.626  107.877   14.319  122.068   8.2374  125.924   8.3912 -3.855499 11.75872 
1 1 1  -18   12   30 o  244.252   5.2753  401.317   15.954  395.272   18.960  415.979   29.528  241.292   5.7985  247.212   8.8142 -5.919800 10.55052 
1 1 1  -18   12   31 o  327.745   5.8130  712.683   23.034  691.745   26.856  770.945   44.798  319.149   6.2096  336.340   9.8287 -17.19034 11.62593 
1 1 1  -18   12   32 o  318.968   5.9034  712.901   23.072  743.272   27.637  643.065   41.909  330.820   6.1647  307.116   10.070 23.70316 11.80688 
1 1 1  -18   12   33 o  113.431   5.4172   85.089   8.0519   78.696   10.014   96.778   13.542  107.611   6.8673  119.250   8.3799 -11.63856 10.83437 
1 1 1  -18   12   34 o  128.460   7.3933  112.205   12.870  112.205   12.870   0.0000   0.0000  128.460   7.3933  ?   ?       ?      ? 
1 1 1  -18   12   35 o  109.492   6.6965   78.233   9.3626   72.011   11.278   92.035   16.795  102.870   8.0898  116.113   10.674 -13.24253 13.39298 
1 1 1  -18   12   36 f  127.423   4.9669  110.872   8.5165  105.653   12.643  115.207   11.523  124.638   7.4854  130.209   6.5306 -5.571579 9.933727 
1 1 1  -18   12   37 o  244.632   4.7938  405.858   15.865  421.701   23.274  392.109   21.682  249.067   6.8956  240.196   6.6612 8.871780 9.587534 
1 1 1  -18   12   38 o  160.817   4.8104  176.373   10.420  170.119   15.457  181.583   14.107  158.163   7.2116  163.471   6.3683 -5.307907 9.620887 
1 1 1  -18   12   39 o  141.536   6.1667  137.911   10.737  133.026   19.728  139.966   12.799  139.570   10.430  143.502   6.5817 -3.931519 12.33339 
1 1 1  -18   12   40 o  148.184   6.0485  148.735   11.141  151.738   20.397  147.459   13.301  149.087   10.096  147.281   6.6643 1.806030 12.09698 
1 1 1  -18   12   41 o   77.160   9.5720   50.102   8.0935   26.436   15.358   59.201   9.5231   61.046   17.599   93.273   7.5342 -32.22715 19.14393 
1 1 1  -18   12   42 o  382.399   5.6790  995.770   29.420  995.319   42.121  996.200   41.109  382.291   8.1307  382.507   7.9307 -0.2165833 11.35798 
1 1 1  -18   12   43 o  160.570   5.0439  176.085   10.905  168.593   16.163  182.346   14.775  157.381   7.5788  163.760   6.6578 -6.378250 10.08783 
1 1 1  -18   12   44 o  167.884   6.5177  202.868   13.268  167.533   23.870  218.667   15.961  156.438   11.260  179.330   6.5680 -22.89215 13.03546 
1 1 1  -18   12   45 o  138.575   6.4202  125.420   10.988  144.645   20.904  118.080   12.916  145.427   10.607  131.724   7.2358 13.70271 12.84036 
1 1 1  -18   12   46 o  191.432   4.9022  250.037   12.676  238.006   18.400  260.903   17.487  186.999   7.2610  195.865   6.5882 -8.866333 9.804441 
1 1 1  -18   12   47 o   35.882   9.7181   5.1847   6.8876   0.0101   9.8123   10.211   9.6702   31.053   13.239   40.711   14.230 -9.658083 19.43629 
1 1 1  -18   12   48 o  182.977   6.8226  230.624   16.732  213.924   25.037  244.102   22.492  176.810   10.449  189.144   8.7752 -12.33418 13.64520 
1 1 1  -18   12   49 o  131.459   5.5669  120.488   9.6875   99.047   14.426  138.097   13.074  120.462   8.8372  142.455   6.7725 -21.99272 11.13383 
1 1 1  -18   12   50 o  124.554   7.3683  113.524   11.505  132.339   14.618   82.892   18.652  139.346   7.7412  109.762   12.540 29.58308 14.73668 
1 1 1  -18   12   51 o  228.300   6.3183  360.707   18.411  370.542   22.700  341.802   31.471  233.236   7.1821  223.365   10.397 9.871475 12.63663 
1 1 1  -18   12   52 o  296.977   7.4908  601.197   30.146  601.197   30.146   0.0000   0.0000  296.977   7.4908  ?   ?       ?      ? 
1 1 1  -18   12   53 o  190.154   4.9820  246.811   12.804  239.473   18.629  253.383   17.629  187.425   7.3345  192.882   6.7444 -5.456863 9.963965 
1 1 1  -18   12   54 o  113.197   5.6962   87.747   8.6676   85.418   13.015   89.603   11.619  111.783   8.5917  114.611   7.4812 -2.828262 11.39235 
1 1 1  -18   12   55 o   74.462   7.3366   38.208   7.2867   37.372   11.281   38.807   9.5449   73.666   11.301   75.257   9.3592 -1.591179 14.67310 
1 1 1  -18   12   56 o  141.342   6.0024  133.398   11.311  119.377   14.497  155.217   18.084  132.141   8.0955  150.543   8.8644 -18.40233 12.00480 
1 1 1  -18   12   57 o   74.901   8.5513   39.454   8.4384   40.357   11.428   38.371   12.513   76.492   11.025   73.310   13.075 3.181557 17.10267 
1 1 1  -18   12   58 o  204.673   5.8183  283.024   15.702  270.902   19.833  303.381   25.701  199.101   7.3507  210.246   9.0208 -11.14508 11.63653 
1 1 1  -18   12   59 o  147.003   5.2459  147.687   10.375  148.748   15.660  146.856   13.852  147.393   7.8402  146.613   6.9721 0.7805786 10.49187 
1 1 1  -18   12   60 o  141.694   6.5576  135.234   11.404  145.263   21.570  131.343   13.436  144.814   10.992  138.575   7.1549 6.239243 13.11523 
1 1 1  -18   12   61 o  206.567   5.0764  292.833   14.157  282.024   20.702  302.327   19.403  202.872   7.5303  210.262   6.8098 -7.390198 10.15279 
1 1 1  -18   12   62 o  172.560   5.1008  205.095   11.863  187.779   17.167  220.923   16.413  165.430   7.6577  179.690   6.7404 -14.26001 10.20163 
1 1 1  -18   12   63 o   63.226   8.3881   28.950   6.8505   26.087   10.753   30.906   8.8875   59.663   13.602   66.789   9.8195 -7.125793 16.77623 
1 1 1  -18   12   64 o   98.297   7.4654   60.564   8.8737   83.032   18.017   53.368   10.196  108.656   12.236   87.937   8.5563 20.71925 14.93077 
1 1 1  -18   12   65 o  186.590   7.3261  243.178   18.485  237.324   26.822  248.474   25.512  184.248   10.742  188.933   9.9645 -4.685181 14.65227 
1 1 1  -18   12   66 o   98.179   6.2874   67.637   8.2175   61.933   12.530   71.941   10.885   94.258   9.8097  102.100   7.8674 -7.841965 12.57480 
1 1 1  -18   12   67 o  152.611   5.1326  160.082   10.560  164.626   15.843  156.449   14.166  154.442   7.5700  150.780   6.9331 3.662064 10.26513 
1 1 1  -18   12   68 o   77.341   6.8452   41.152   7.1032   47.155   11.035   36.905   9.2818   82.009   9.9296   72.672   9.4250 9.337479 13.69041 
1 1 1  -18   12   69 o  104.885   5.8355   76.988   8.1670   73.257   12.515   79.755   10.778  102.398   9.0189  107.371   7.4077 -4.973610 11.67104 
1 1 1  -18   12   70 o  103.240   5.7609   73.314   8.0035   81.963   12.234   66.843   10.582  108.437   8.3255   98.042   7.9648 10.39474 11.52180 
1 1 1  -18   12   71 o   66.343   7.8924   30.770   6.7879   42.288   10.671   22.943   8.7969   77.218   10.198   55.468   12.048 21.75013 15.78475 
1 1 1  -18   12   72 o   88.598   6.2587   55.324   7.4455   54.299   11.247   56.123   9.9340   87.631   9.4709   89.565   8.1847 -1.934090 12.51749 
1 1 1  -18   12   73 o   57.639   9.7608   27.948   7.4083   16.892   13.867   32.363   8.7637   47.773   17.009   67.506   9.5800 -19.73255 19.52159 
1 1 1  -18   12   74 o  100.753   7.0457   67.936   8.8460   85.057   16.760   61.325   10.415  108.133   11.438   93.372   8.2309 14.76044 14.09135 
1 1 1  -18   12   75 o   68.417   10.200   34.995   9.0109   46.318   14.624   28.065   11.441   77.081   14.534   59.754   14.317 17.32676 20.40070 
1 1 1  -18   12   76 o   39.639   10.598   10.260   7.6438   11.240   12.314   9.6457   9.7494   41.222   15.778   38.057   14.153 3.165310 21.19558 
1 1 1  -18   12   77 o   57.459   10.549   27.730   8.6879   17.203   13.304   35.557   11.472   46.989   16.668   67.929   12.935 -20.94040 21.09769 
1 1 1  -18   12   78 o   48.519   16.154   19.016   12.432   19.016   12.432   0.0000   0.0000   48.519   16.154  ?   ?       ?      ? 
1 1 1  -18   12   79 o   43.543   15.931   14.301   12.266   14.301   12.266   0.0000   0.0000   43.543   15.931  ?   ?       ?      ? 
1 1 1  -18   12   80 o   37.313   15.162   7.6260   12.001   7.6260   12.001   0.0000   0.0000   37.313   15.162  ?   ?       ?      ? 
1 1 1  -18   13    1 o  121.076   4.8566   99.796   7.9516  106.034   11.162   93.370   11.330  124.938   6.5929  117.215   7.1329 7.723320 9.713155 
1 1 1  -18   13    2 o  162.470   4.6167  179.014   10.156  170.409   14.059  188.408   14.689  158.391   6.5499  166.549   6.5082 -8.157516 9.233494 
1 1 1  -18   13    3 o  195.745   4.6095  260.255   12.223  260.327   17.073  260.178   17.508  195.779   6.4351  195.711   6.6016 0.6822205E-01 9.219095 
1 1 1  -18   13    4 o   87.342   5.7067   51.945   6.7255   45.958   9.4226   58.164   9.6027   82.189   8.4600   92.496   7.6611 -10.30653 11.41333 
1 1 1  -18   13    5 o  249.229   6.8428  421.995   23.111   0.0000   0.0000  421.995   23.111  ?   ?   249.229   6.8428      ?      ? 
1 1 1  -18   13    6 o  231.578   6.0133  351.742   17.407  398.746   32.312  332.524   20.662  241.922   9.8562  221.233   6.8918 20.68956 12.02668 
1 1 1  -18   13    7 o  367.975   8.1539  924.701   40.645  944.117   57.160  904.844   57.808  371.928   11.341  364.021   11.719 7.906952 16.30782 
1 1 1  -18   13    8 f   49.241   11.084   15.868   7.8337   17.275   14.334   15.268   9.3541   51.636   17.347   46.845   13.801 4.790936 22.16734 
1 1 1  -18   13    9 o  142.838   5.1432  142.313   9.1245  148.331   11.034  129.295   16.228  147.832   5.5077  137.844   8.6876 9.987183 10.28634 
1 1 1  -18   13   10 o   67.388   7.2207   32.624   6.0324   35.596   7.5885   27.521   9.9431   72.358   7.7390   62.417   12.193 9.941444 14.44131 
1 1 1  -18   13   11 o  381.607   6.2401  963.511   28.192  935.808   32.487  1048.00   56.732  371.197   6.4583  392.016   10.679 -20.81961 12.48027 
1 1 1  -18   13   12 o  221.154   5.0631  322.847   13.730  310.773   16.123  354.694   26.186  213.976   5.5605  228.333   8.4630 -14.35721 10.12626 
1 1 1  -18   13   13 o  261.871   5.3570  469.827   17.128  474.715   20.287  457.693   31.962  264.450   5.6610  259.292   9.0963 5.158539 10.71397 
1 1 1  -18   13   14 o   79.005   7.5521   42.431   8.0855   42.431   8.0855   0.0000   0.0000   79.005   7.5521  ?   ?       ?      ? 
1 1 1  -18   13   15 o  194.265   5.5379  256.158   14.579  256.158   14.579   0.0000   0.0000  194.265   5.5379  ?   ?       ?      ? 
1 1 1  -18   13   16 o  169.023   4.8877  185.376   10.373  172.283   12.320  217.260   19.224  159.307   5.7066  178.740   7.9369 -19.43279 9.775476 
1 1 1  -18   13   17 o  108.425   5.4373   80.728   7.5930   82.591   9.4376   77.309   12.785  110.277   6.3153  106.573   8.8528 3.703995 10.87457 
1 1 1  -18   13   18 o  158.555   5.0773  173.734   10.149  179.045   12.379  162.847   17.724  162.406   5.6248  154.704   8.4544 7.701950 10.15451 
1 1 1  -18   13   19 o   60.618   7.5625   25.760   5.9431   26.922   7.7682   24.120   9.2290   62.879   9.1166   58.356   12.069 4.523304 15.12506 
1 1 1  -18   13   20 o   89.052   5.7986   52.613   6.8496   47.896   8.6866   60.368   11.137   83.929   7.6376   94.175   8.7271 -10.24573 11.59716 
1 1 1  -18   13   21 o  152.522   5.0360  155.607   9.8282  150.760   11.970  165.639   17.218  149.006   5.9279  156.038   8.1429 -7.032639 10.07204 
1 1 1  -18   13   22 o  111.174   5.3907   80.789   7.8842   71.483   9.8243   97.628   13.215  102.555   7.0690  119.792   8.1405 -17.23631 10.78145 
1 1 1  -18   13   23 o  311.569   5.7379  662.272   21.818  664.674   25.791  656.226   40.916  312.844   6.0836  310.294   9.7306 2.549805 11.47581 
1 1 1  -18   13   24 o   64.309   7.4596   27.940   6.2681   22.338   8.2192   35.728   9.6902   56.225   11.181   72.392   9.8777 -16.16750 14.91928 
1 1 1  -18   13   25 o  253.144   5.8304  438.968   19.607  451.653   25.546  420.780   30.589  257.741   7.3139  248.547   9.0818 9.194580 11.66073 
1 1 1  -18   13   26 o  167.274   5.5705  186.061   12.484  159.477   16.284  223.956   19.442  153.111   7.8483  181.437   7.9075 -28.32568 11.14110 
1 1 1  -18   13   27 o   94.074   5.8954   59.435   7.3174   56.887   9.2514   63.691   11.959   91.461   7.4644   96.688   9.1272 -5.227409 11.79076 
1 1 1  -18   13   28 o   83.679   6.4208   47.974   7.0943   48.944   9.1157   46.483   11.297   84.813   7.9314   82.545   10.100 2.267334 12.84162 
1 1 1  -18   13   29 o  324.013   5.9014  722.709   23.329  733.458   27.654  696.174   43.448  328.580   6.2105  319.445   10.037 9.134674 11.80276 
1 1 1  -18   13   30 o  337.984   6.0291  789.166   24.848  804.387   29.479  751.816   46.180  344.076   6.3224  331.892   10.268 12.18414 12.05816 
1 1 1  -18   13   31 o  201.857   5.5992  274.860   15.017  265.438   19.267  289.441   23.969  197.566   7.1966  206.148   8.5799 -8.581375 11.19849 
1 1 1  -18   13   32 o  253.708   7.1965  437.760   24.742  437.760   24.742   0.0000   0.0000  253.708   7.1965  ?   ?       ?      ? 
1 1 1  -18   13   33 o  160.033   5.7190  172.836   12.267  164.668   16.042  184.338   19.036  155.564   7.6096  164.503   8.5393 -8.938766 11.43793 
1 1 1  -18   13   34 o  225.399   5.6976  342.847   17.039  331.521   21.805  360.609   27.306  220.759   7.2887  230.039   8.7594 -9.279388 11.39528 
1 1 1  -18   13   35 o  262.094   5.5676  477.628   18.077  493.408   21.763  442.509   32.466  269.488   5.9593  254.699   9.4064 14.78993 11.13526 
1 1 1  -18   13   36 o  120.930   5.6398   99.756   8.8701  100.218   11.099   98.938   14.756  121.404   6.7466  120.457   9.0395 0.9469910 11.27961 
1 1 1  -18   13   37 o  107.876   5.9933   79.201   8.4988   78.895   10.773   79.705   13.830  107.674   7.3831  108.078   9.4428 -0.4034882 11.98655 
1 1 1  -18   13   38 o   76.561   7.9621   40.111   8.2584   41.467   11.782   38.802   11.579   77.838   11.170   75.283   11.350 2.555328 15.92414 
1 1 1  -18   13   39 o  336.863   5.3988  772.878   24.631  762.486   35.293  782.745   34.392  334.623   7.7830  339.103   7.4841 -4.480011 10.79754 
1 1 1  -18   13   40 f  174.364   7.3537  206.938   17.376  206.938   17.376   0.0000   0.0000  174.364   7.3537  ?   ?       ?      ? 
1 1 1  -18   13   41 o  207.114   4.8535  292.401   13.586  282.499   19.741  301.311   18.727  203.740   7.1501  210.487   6.5652 -6.747025 9.706973 
1 1 1  -18   13   42 o   37.804   10.717   3.4638   7.9758   9.9789   14.012   0.3411   9.7008   44.471   16.876   31.137   13.216 13.33416 21.43500 
1 1 1  -18   13   43 o  149.928   8.9304  153.410   18.144   0.0000   0.0000  153.410   18.144  ?   ?   149.928   8.9304      ?      ? 
1 1 1  -18   13   44 o  129.724   6.8889  121.424   10.664  101.085   19.728  129.820   12.675  121.326   11.999  138.122   6.7717 -16.79571 13.77777 
1 1 1  -18   13   45 o  202.085   7.2101  278.104   19.745  278.104   19.745   0.0000   0.0000  202.085   7.2101  ?   ?       ?      ? 
1 1 1  -18   13   46 o  118.576   5.6605   97.649   8.9199   83.585   13.346  109.005   11.992  110.627   8.9022  126.525   6.9940 -15.89851 11.32102 
1 1 1  -18   13   47 o  145.100   5.2288  144.702   10.178  132.562   15.101  154.809   13.778  139.405   7.9937  150.795   6.7426 -11.38986 10.45765 
1 1 1  -18   13   48 o  276.794   6.3898  525.245   22.616  528.273   27.777  519.291   38.953  278.395   7.3627  275.193   10.445 3.202362 12.77952 
1 1 1  -18   13   49 f  125.548   6.8966  107.892   11.245  107.681   14.026  108.270   18.813  125.572   8.2426  125.525   11.060 0.4763031E-01 13.79325 
1 1 1  -18   13   50 o   84.106   6.6920   47.284   7.5342   57.263   11.782   40.380   9.7998   91.428   9.5094   76.784   9.4181 14.64404 13.38397 
1 1 1  -18   13   51 o   55.381   9.2023   22.475   6.6963   19.563   10.727   24.335   8.5718   52.247   14.590   58.515   11.218 -6.267841 18.40459 
1 1 1  -18   13   52 o   78.629   7.1720   41.734   7.5657   48.020   11.756   37.290   9.8847   83.567   10.381   73.690   9.8986 9.877037 14.34394 
1 1 1  -18   13   53 o  251.176   5.9461  426.680   19.657  410.800   24.783  453.615   32.277  245.227   7.4576  257.124   9.2633 -11.89691 11.89221 
1 1 1  -18   13   54 o  183.044   5.9993  233.130   14.524  248.781   18.998  211.114   22.532  190.808   7.3474  175.279   9.4860 15.52870 11.99866 
1 1 1  -18   13   55 o  152.400   5.1540  158.326   10.574  162.616   15.985  154.988   14.100  154.161   7.6515  150.638   6.9071 3.523285 10.30797 
1 1 1  -18   13   56 o  172.139   5.0750  203.565   11.764  192.922   17.364  212.593   15.993  167.858   7.6336  176.421   6.6896 -8.563156 10.15000 
1 1 1  -18   13   57 o   45.354   9.7031   15.041   6.7009   8.3250   11.078   18.917   8.4150   39.603   15.011   51.104   12.300 -11.50086 19.40628 
1 1 1  -18   13   58 o  186.481   6.1632  234.914   14.249  250.471   26.448  228.552   16.914  190.188   10.262  182.774   6.8288 7.414291 12.32645 
1 1 1  -18   13   59 f   41.179   9.5649   11.703   6.4059   5.8804   10.389   15.275   8.1368   36.428   14.338   45.930   12.664 -9.501850 19.12985 
1 1 1  -18   13   60 o   64.751   8.1265   28.556   6.8575   37.799   10.992   22.666   8.7745   73.615   11.018   55.887   11.948 17.72842 16.25293 
1 1 1  -18   13   61 o  139.508   6.6803  138.217   11.373  127.090   20.837  142.939   13.573  134.678   11.417  144.338   6.9393 -9.659592 13.36058 
1 1 1  -18   13   62 o  149.760   6.7935  167.604   12.262  127.571   21.592  186.661   14.897  134.574   11.840  164.945   6.6648 -30.37141 13.58699 
1 1 1  -18   13   63 o   79.209   8.3963   43.793   8.8078   41.833   11.218   46.944   14.222   77.230   10.719   81.188   12.927 -3.958046 16.79257 
1 1 1  -18   13   64 o   92.486   6.1834   59.618   7.6679   57.951   11.622   60.903   10.204   91.157   9.4085   93.814   8.0261 -2.656593 12.36681 
1 1 1  -18   13   65 o   56.190   8.7000   23.678   6.3379   21.318   10.054   25.234   8.1643   53.321   13.806   59.059   10.590 -5.738380 17.39994 
1 1 1  -18   13   66 o   40.316   8.8223   8.6807   5.9627   21.287   9.5066   0.5052   7.6558   53.283   13.227   27.348   11.678 25.93525 17.64465 
1 1 1  -18   13   67 o   81.525   7.2740   50.476   7.2353   32.638   10.845   64.785   9.7131   66.367   12.517   96.683   7.4136 -30.31572 14.54790 
1 1 1  -18   13   68 o   91.881   6.2168   60.637   7.5318   48.061   11.108   71.340   10.247   82.411   9.9464  101.351   7.4610 -18.94025 12.43368 
1 1 1  -18   13   69 o   63.447   7.8932   29.478   6.5389   28.227   9.9657   30.424   8.6650   61.379   12.408   65.515   9.7598 -4.135857 15.78641 
1 1 1  -18   13   70 o   75.914   6.7494   40.885   6.8962   41.032   10.369   40.769   9.2348   75.834   10.090   75.994   8.9674 -0.1598282 13.49889 
1 1 1  -18   13   71 o   59.207   9.7712   29.204   7.3290   20.095   14.017   32.632   8.5979   50.651   17.153   67.762   9.3632 -17.11036 19.54238 
1 1 1  -18   13   72 o   42.904   10.009   14.377   6.9029   6.6270   12.981   17.433   8.1509   38.112   15.660   47.696   12.470 -9.584023 20.01854 
1 1 1  -18   13   73 o   64.193   10.551   33.707   9.0409   26.607   13.797   39.050   11.969   56.844   16.765   71.542   12.816 -14.69743 21.10278 
1 1 1  -18   13   74 o   57.769   10.711   27.652   8.5904   21.808   13.378   31.752   11.206   51.653   16.735   63.885   13.373 -12.23193 21.42176 
1 1 1  -18   13   75 o   79.672   9.6327   50.865   9.7174   38.050   14.679   60.862   12.965   67.963   16.172   91.382   10.470 -23.41895 19.26550 
1 1 1  -18   13   76 o   51.155   16.284   21.636   12.709   21.636   12.709   0.0000   0.0000   51.155   16.284  ?   ?       ?      ? 
1 1 1  -18   13   77 o   25.628   12.159 -10.5889   11.371 -10.5889   11.371   0.0000   0.0000   25.628   12.159  ?   ?       ?      ? 
1 1 1  -18   13   78 o   60.043   16.513   30.732   13.855   30.732   13.855   0.0000   0.0000   60.043   16.513  ?   ?       ?      ? 
1 1 1  -18   14    1 o  167.963   5.4877  196.267   11.927  208.070   15.069  176.470   19.516  174.992   6.3544  160.934   8.9489 14.05719 10.97545 
1 1 1  -18   14    2 o  148.026   5.3856  147.769   10.439  144.178   13.093  154.035   17.296  145.650   6.6338  150.401   8.4860 -4.750702 10.77119 
1 1 1  -18   14    3 f  135.766   6.9065  124.589   12.435  131.077   19.952  120.467   15.902  138.549   10.627  132.983   8.8241 5.566345 13.81294 
1 1 1  -18   14    4 o  154.618   6.7934  162.321   13.969  166.557   22.108  159.506   18.021  156.202   10.444  153.035   8.6899 3.166992 13.58671 
1 1 1  -18   14    5 o  248.948   5.7065  424.004   18.436  429.652   23.057  413.996   30.695  251.422   6.7675  246.474   9.1901 4.947845 11.41298 
1 1 1  -18   14    6 o  220.898   5.5318  332.857   15.948  335.213   20.061  328.809   26.291  222.089   6.6655  219.707   8.8303 2.382065 11.06358 
1 1 1  -18   14    7 o  119.735   5.7491   98.287   9.1185  101.162   11.815   94.051   14.341  121.978   7.1475  117.492   9.0069 4.485268 11.49826 
1 1 1  -18   14    8 o   75.470   7.0979   39.402   7.1386   42.769   9.5439   35.126   10.756   79.237   8.8882   71.703   11.069 7.533119 14.19590 
1 1 1  -18   14    9 o  245.486   5.6292  408.531   18.020  404.444   22.545  415.764   29.988  243.932   6.8202  247.040   8.9576 -3.108215 11.25849 
1 1 1  -18   14   10 o   62.022   8.3269   27.292   6.7362   29.978   8.9454   23.773   10.238   66.293   9.9574   57.751   13.349 8.541523 16.65376 
1 1 1  -18   14   11 o  100.033   8.0223   68.099   10.875   68.099   10.875   0.0000   0.0000  100.033   8.0223  ?   ?       ?      ? 
1 1 1  -18   14   12 o  220.649   6.8590  330.987   20.359  340.153   30.891  323.947   27.070  223.266   10.210  218.033   9.1619 5.233597 13.71796 
1 1 1  -18   14   13 o  251.341   10.411  431.209   35.459  431.209   35.459   0.0000   0.0000  251.341   10.411  ?   ?       ?      ? 
1 1 1  -18   14   14 o  146.239   5.6689  143.615   11.005  136.510   14.056  154.871   17.691  141.680   7.3211  150.798   8.6573 -9.117630 11.33788 
1 1 1  -18   14   15 o  132.717   5.6520  118.958   10.015  114.793   12.989  125.064   15.728  129.918   7.3776  135.517   8.5644 -5.599380 11.30395 
1 1 1  -18   14   16 o  139.608   5.6223  131.165   10.479  124.568   13.554  140.968   16.524  135.334   7.3906  143.882   8.4746 -8.547897 11.24457 
1 1 1  -18   14   17 o  163.237   5.4584  177.948   11.850  165.080   15.142  198.286   19.036  155.809   7.1714  170.665   8.2308 -14.85643 10.91677 
1 1 1  -18   14   18 o  247.090   5.6936  410.809   18.460  397.263   23.180  434.293   30.521  241.713   7.0768  252.467   8.9210 -10.75374 11.38712 
1 1 1  -18   14   19 o  257.509   5.7638  442.558   19.423  419.193   24.199  484.868   32.564  248.277   7.1923  266.742   9.0086 -18.46472 11.52758 
1 1 1  -18   14   20 o  104.863   6.4182   75.412   9.0593   80.617   12.411   69.475   13.255  108.803   8.4172  100.922   9.6916 7.880783 12.83649 
1 1 1  -18   14   21 o  266.336   5.8869  486.398   20.609  497.465   26.303  468.801   33.166  270.458   7.1767  262.215   9.3337 8.242920 11.77377 
1 1 1  -18   14   22 o  236.013   5.7463  379.251   17.959  379.306   23.073  379.166   28.607  236.155   7.2097  235.871   8.9499 0.2843170 11.49262 
1 1 1  -18   14   23 o  256.071   7.1316  442.740   24.437  477.545   38.231  418.697   31.776  264.373   10.671  247.768   9.4639 16.60475 14.26329 
1 1 1  -18   14   24 o  376.193   6.2951  934.842   28.361  902.846   32.851  1028.47   56.198  364.432   6.6521  387.954   10.689 -23.52258 12.59026 
1 1 1  -18   14   25 o  278.299   5.5752  521.293   19.047  513.381   22.500  541.302   35.782  274.883   6.0401  281.716   9.3727 -6.832947 11.15036 
1 1 1  -18   14   26 o  158.819   5.2333  168.019   10.638  161.107   12.933  182.480   18.706  153.973   6.1981  163.665   8.4342 -9.691910 10.46670 
1 1 1  -18   14   27 o   65.867   7.8307   29.795   6.7429   28.267   8.7527   32.025   10.576   64.340   10.039   67.393   12.021 -3.052994 15.66131 
1 1 1  -18   14   28 o  202.477   5.2269  274.580   13.283  267.606   15.915  290.592   24.115  198.462   5.9176  206.493   8.6178 -8.031387 10.45389 
1 1 1  -18   14   29 o   84.043   8.4207   48.127   9.5903   48.127   9.5903   0.0000   0.0000   84.043   8.4207  ?   ?       ?      ? 
1 1 1  -18   14   30 o   66.624   10.457   30.341   9.4411   30.341   9.4411   0.0000   0.0000   66.624   10.457  ?   ?       ?      ? 
1 1 1  -18   14   31 o  188.870   5.9161  247.849   14.844  284.914   20.220  204.525   21.861  204.615   7.2922  173.124   9.3179 31.49040 11.83213 
1 1 1  -18   14   32 o  175.881   5.2783  204.757   11.907  193.491   14.469  228.396   20.959  168.707   6.3287  183.055   8.4492 -14.34871 10.55654 
1 1 1  -18   14   33 o  195.818   5.2389  253.940   13.009  241.836   15.654  280.960   23.389  188.624   6.1243  203.012   8.5016 -14.38858 10.47774 
1 1 1  -18   14   34 o  108.290   5.9068   78.707   8.4582   74.652   10.719   85.400   13.770  104.708   7.5541  111.871   9.0828 -7.163101 11.81366 
1 1 1  -18   14   35 o  134.150   5.4913  119.243   9.5920  111.288   11.840  134.432   16.362  127.897   6.8314  140.402   8.5994 -12.50421 10.98263 
1 1 1  -18   14   36 o   83.595   7.1276   48.664   7.7910   51.579   9.9805   44.115   12.466   86.971   8.4683   80.219   11.467 6.751976 14.25517 
1 1 1  -18   14   37 o  265.340   5.7555  496.740   18.921  524.864   22.941  436.909   33.461  277.849   6.0929  252.830   9.7663 25.01929 11.51105 
1 1 1  -18   14   38 o  236.362   6.8356  381.466   21.771  385.602   32.642  378.151   29.220  237.411   10.146  235.314   9.1631 2.096863 13.67117 
1 1 1  -18   14   39 o  102.827   7.1366   72.222   9.9272   78.482   14.341   66.463   13.756  107.119   9.8794   98.535   10.302 8.583771 14.27324 
1 1 1  -18   14   40 o  146.983   6.1326  145.959   12.146  133.337   16.160  162.344   18.412  139.774   8.5317  154.192   8.8117 -14.41847 12.26526 
1 1 1  -18   14   41 f  320.444   5.9237  674.874   22.986  645.108   26.746  758.979   44.959  307.906   6.4101  332.981   9.9635 -25.07474 11.84737 
1 1 1  -18   14   42 f  131.693   6.0961  114.683   10.697   92.434   13.842  147.677   16.857  116.319   8.7814  147.068   8.4580 -30.74926 12.19226 
1 1 1  -18   14   43 o  179.718   7.2692  220.139   17.704  220.139   17.704   0.0000   0.0000  179.718   7.2692  ?   ?       ?      ? 
1 1 1  -18   14   44 o  195.655   4.9209  261.516   12.995  252.293   19.051  269.540   17.771  192.364   7.3083  198.946   6.5915 -6.581909 9.841715 
1 1 1  -18   14   45 o  129.312   5.3298  113.990   9.2550  114.835   14.089  113.348   12.275  129.675   8.0178  128.950   7.0243 0.7247925 10.65957 
1 1 1  -18   14   46 o   94.298   8.0463   65.090   9.5887   76.317   12.308   47.756   15.294  105.626   8.5989   82.969   13.603 22.65761 16.09266 
1 1 1  -18   14   47 o   99.390   6.0508   67.932   8.0575   65.210   12.213   70.030   10.722   97.536   9.2397  101.243   7.8152 -3.706749 12.10163 
1 1 1  -18   14   48 o  124.984   6.2851  104.603   10.522   88.370   13.752  127.522   16.341  113.549   8.9374  136.420   8.8393 -22.87088 12.57020 
1 1 1  -18   14   49 f  219.972   5.8297  324.886   16.878  305.990   21.197  357.620   27.899  211.624   7.3915  228.320   9.0170 -16.69537 11.65936 
1 1 1  -18   14   50 o  201.669   5.0119  275.775   13.631  298.518   20.542  257.882   18.221  209.004   7.2529  194.333   6.9190 14.67117 10.02378 
1 1 1  -18   14   51 o   94.275   6.4945   61.905   8.0545   57.478   12.781   64.821   10.374   91.261   10.334   97.289   7.8686 -6.027405 12.98897 
1 1 1  -18   14   52 o  169.880   5.0729  197.593   11.605  195.655   17.366  199.156   15.600  169.034   7.5811  170.727   6.7428 -1.693512 10.14586 
1 1 1  -18   14   53 o   91.557   6.5078   56.551   7.9726   65.474   12.552   50.517   10.322   97.435   9.5065   85.680   8.8901 11.75526 13.01562 
1 1 1  -18   14   54 o   72.240   7.5383   35.413   7.2694   40.844   11.559   31.859   9.3499   76.645   11.129   67.835   10.171 8.810532 15.07657 
1 1 1  -18   14   55 o  150.859   10.810  158.275   22.099  158.275   22.099   0.0000   0.0000  150.859   10.810  ?   ?       ?      ? 
1 1 1  -18   14   56 o   92.992   7.7150   56.964   8.6505   67.763   17.197   53.306   10.009   98.034   12.944   87.949   8.3980 10.08507 15.42996 
1 1 1  -18   14   57 o   38.212   9.9062   8.8484   6.9423  -5.1016   14.472   13.018   7.9120   33.821   15.184   42.604   12.728 -8.783085 19.81243 
1 1 1  -18   14   58 o  125.026   7.0367  110.714   10.470  104.744   20.102  112.937   12.265  121.837   12.175  128.216   7.0590 -6.378380 14.07341 
1 1 1  -18   14   59 f   46.287   8.1732   16.377   6.4628  -2.6492   10.691   27.333   8.1129   29.914   13.263   62.661   9.5543 -32.74669 16.34635 
1 1 1  -18   14   60 o  122.164   5.5416  103.123   9.0902  103.148   13.812  103.104   12.073  122.015   8.3534  122.313   7.2841 -0.2975922 11.08321 
1 1 1  -18   14   61 o   94.976   7.5406   62.702   9.5024   59.610   12.134   67.604   15.280   92.300   9.7011   97.653   11.547 -5.352554 15.08115 
1 1 1  -18   14   62 o  112.303   5.7170   88.637   8.5612   79.787   12.897   95.608   11.447  106.946   8.8994  117.661   7.1789 -10.71541 11.43397 
1 1 1  -18   14   63 o  109.432   5.7019   83.479   8.3828   81.418   12.617   85.109   11.217  108.021   8.6189  110.843   7.4674 -2.821571 11.40385 
1 1 1  -18   14   64 o   37.700   8.3535   8.6703   5.8916  -4.0805   9.0421   18.077   7.7665   26.121   11.839   49.278   11.789 -23.15694 16.70704 
1 1 1  -18   14   65 o  114.166   5.5974   92.375   8.5052   77.240   12.477  105.511   11.624  104.916   8.7760  123.417   6.9503 -18.50056 11.19489 
1 1 1  -18   14   66 o   62.483   8.2702   31.354   6.6551   14.412   9.7968   45.871   9.0687   44.048   14.324   80.918   8.2702 -36.87020 16.54031 
1 1 1  -18   14   67 o   69.684   7.2335   34.625   6.7746   35.566   10.307   33.909   8.9891   70.298   10.820   69.071   9.6037 1.226906 14.46700 
1 1 1  -18   14   68 f   56.177   8.5926   24.487   6.4186   18.356   9.8550   29.003   8.4587   48.634   14.120   63.720   9.7959 -15.08551 17.18515 
1 1 1  -18   14   69 o  161.983   6.5124  191.176   12.989  175.268   23.316  198.334   15.640  155.224   11.084  168.742   6.8398 -13.51802 13.02473 
1 1 1  -18   14   70 o   53.510   10.071   24.062   8.6643   5.7290   13.705   36.269   11.183   37.904   15.877   69.116   12.395 -31.21212 20.14241 
1 1 1  -18   14   71 o   50.452   11.112   19.493   8.3241   26.545   13.385   15.045   10.630   56.670   16.456   44.234   14.938 12.43577 22.22481 
1 1 1  -18   14   72 o   41.986   10.409   12.462   8.1745   1.1905   12.784   20.258   10.632   33.751   14.749   50.221   14.691 -16.47030 20.81719 
1 1 1  -18   14   73 o   37.372   10.582   7.9411   8.0045   7.6385   12.861   8.1324   10.227   38.184   15.626   36.561   14.274 1.622467 21.16436 
1 1 1  -18   14   74 o   52.798   16.831   23.556   13.574   23.556   13.574   0.0000   0.0000   52.798   16.831  ?   ?       ?      ? 
1 1 1  -18   14   75 o   61.492   16.425   32.114   13.946   32.114   13.946   0.0000   0.0000   61.492   16.425  ?   ?       ?      ? 
1 1 1  -18   15    1 o  235.949   4.9096  379.161   15.653  414.990   22.252  344.064   22.023  247.035   6.6470  224.862   7.2274 22.17255 9.819263 
1 1 1  -18   15    2 o  184.252   4.8587  231.182   12.115  237.562   16.849  224.354   17.432  186.909   6.6522  181.596   7.0836 5.313644 9.717473 
1 1 1  -18   15    3 o  184.731   4.8702  231.932   12.182  227.794   16.842  236.473   17.643  183.014   6.7909  186.448   6.9829 -3.433899 9.740483 
1 1 1  -18   15    4 o  130.270   5.2847  115.454   9.3268  113.407   13.008  117.620   13.380  129.085   7.4360  131.455   7.5112 -2.369690 10.56943 
1 1 1  -18   15    5 o  272.927   5.0418  506.930   18.642  515.774   26.203  497.867   26.526  275.355   7.0223  270.500   7.2364 4.855194 10.08359 
1 1 1  -18   15    6 f  143.047   5.1978  138.557   9.9915  115.219   13.645  165.541   14.671  130.090   7.7399  156.005   6.9399 -25.91537 10.39555 
1 1 1  -18   15    7 f  113.018   7.6620   77.920   10.283   69.138   11.698  107.787   21.573  100.718   8.5707  125.319   12.703 -24.60097 15.32395 
1 1 1  -18   15    8 o  133.208   7.3168  118.940   11.528  116.574   13.307  126.054   23.076  130.872   7.5035  135.542   12.563 -4.670166 14.63358 
1 1 1  -18   15    9 o  272.378   5.5590  499.165   18.296  492.052   21.399  518.493   35.274  269.111   5.8679  275.645   9.4434 -6.534454 11.11795 
1 1 1  -18   15   10 o  131.829   5.4051  112.668   9.0347  103.394   10.804  134.240   16.477  123.323   6.4646  140.334   8.6644 -17.01075 10.81027 
1 1 1  -18   15   11 o  115.719   5.5617   86.739   8.2507   78.476   9.9558  104.857   14.743  107.419   6.8393  124.019   8.7723 -16.60009 11.12336 
1 1 1  -18   15   12 o  145.345   5.2924  139.238   9.7376  131.679   11.684  156.432   17.621  139.192   6.1941  151.497   8.5832 -12.30588 10.58484 
1 1 1  -18   15   13 o  278.283   5.5940  516.409   18.805  503.698   21.938  551.619   36.512  272.265   5.9461  284.301   9.4771 -12.03644 11.18799 
1 1 1  -18   15   14 o  134.850   5.6022  123.162   9.5551  121.970   11.568  125.722   16.953  133.949   6.3726  135.751   9.2156 -1.802383 11.20432 
1 1 1  -18   15   15 o  182.586   5.3329  224.176   12.128  220.057   14.467  233.916   22.247  179.958   5.9323  185.214   8.8638 -5.255814 10.66582 
1 1 1  -18   15   16 o  179.553   5.7981  213.177   13.872  185.268   17.752  256.948   22.232  164.934   7.9426  194.173   8.4491 -29.23811 11.59619 
1 1 1  -18   15   17 o  242.396   5.4649  397.487   16.278  393.997   19.272  406.176   30.409  240.797   5.9059  243.996   9.1968 -3.198746 10.92986 
1 1 1  -18   15   18 o  268.236   6.1545  500.339   21.664  536.172   28.000  446.892   34.196  280.678   7.3614  255.794   9.8652 24.88374 12.30906 
1 1 1  -18   15   19 o   43.572   15.239   11.714   11.091   11.714   11.091   0.0000   0.0000   43.572   15.239  ?   ?       ?      ? 
1 1 1  -18   15   20 o  225.815   7.4100  347.093   22.675  347.093   22.675   0.0000   0.0000  225.815   7.4100  ?   ?       ?      ? 
1 1 1  -18   15   21 o   49.581   9.1647   15.308   6.7373   5.8112   8.7198   29.374   10.613   34.827   13.289   64.334   12.624 -29.50678 18.32944 
1 1 1  -18   15   22 f  134.725   5.4261  117.330   9.4386  104.549   11.461  144.265   16.638  123.973   6.8221  145.477   8.4398 -21.50357 10.85229 
1 1 1  -18   15   23 o  239.143   5.4663  391.240   16.126  393.779   19.217  385.195   29.649  240.716   5.8912  237.570   9.2096 3.146393 10.93263 
1 1 1  -18   15   24 o  140.010   5.4129  129.791   9.7369  122.462   11.850  145.025   17.084  134.192   6.5164  145.829   8.6448 -11.63687 10.82577 
1 1 1  -18   15   25 o   99.542   6.1116   64.970   7.9501   58.466   9.8174   77.359   13.551   92.643   7.8198  106.440   9.3945 -13.79654 12.22315 
1 1 1  -18   15   26 o   93.230   7.8037   59.212   9.8592   59.212   9.8592   0.0000   0.0000   93.230   7.8037  ?   ?       ?      ? 
1 1 1  -18   15   27 o  139.869   6.3612  133.038   12.057  133.038   12.057   0.0000   0.0000  139.869   6.3612  ?   ?       ?      ? 
1 1 1  -18   15   28 o   81.922   6.7825   45.243   7.3449   43.214   9.3142   48.581   11.944   79.590   8.6359   84.254   10.461 -4.664413 13.56502 
1 1 1  -18   15   29 o   99.775   6.0638   64.198   7.9560   52.802   9.9038   84.936   13.359   87.995   8.3055  111.556   8.8372 -23.56149 12.12751 
1 1 1  -18   15   30 o  122.899   5.6646   99.312   9.0726   90.605   11.177  116.131   15.534  115.358   7.1497  130.439   8.7882 -15.08162 11.32921 
1 1 1  -18   15   31 o  111.527   5.9102   81.307   8.6455   71.806   10.719   98.995   14.625  102.649   7.7056  120.405   8.9635 -17.75555 11.82037 
1 1 1  -18   15   32 o  169.457   5.3831  190.640   11.629  181.476   14.062  210.463   20.681  163.329   6.3533  175.585   8.6917 -12.25612 10.76617 
1 1 1  -18   15   33 o  172.995   6.9400  205.672   16.044  199.017   24.612  210.590   21.156  170.400   10.658  175.590   8.8911 -5.190399 13.87995 
1 1 1  -18   15   34 o  309.188   7.3226  656.109   30.619  632.830   44.218  677.554   42.440  303.780   10.741  314.596   9.9550 -10.81641 14.64517 
1 1 1  -18   15   35 o   38.087   10.046   7.2256   6.9664   4.5409   9.2346   10.771   10.612   34.120   13.490   42.053   14.890 -7.932590 20.09168 
1 1 1  -18   15   36 o  236.597   5.4587  365.366   15.960  343.697   18.766  422.020   30.343  224.747   6.1615  248.447   9.0125 -23.69957 10.91739 
1 1 1  -18   15   37 o  115.540   6.6457   91.793   10.355   97.679   14.283   85.271   15.034  119.533   8.8174  111.548   9.9457 7.984421 13.29149 
1 1 1  -18   15   38 o   57.234   10.279   23.626   7.9840   23.281   11.513   23.946   11.081   56.832   14.802   57.635   14.265 -0.8032646 20.55707 
1 1 1  -18   15   39 o  142.736   5.6783  137.673   10.376  134.725   12.673  143.667   18.070  140.622   6.6504  144.850   9.2057 -4.228119 11.35663 
1 1 1  -18   15   40 o   77.393   7.7266   39.517   7.6284   27.807   9.7063   58.436   12.337   62.501   11.895   92.284   9.8652 -29.78343 15.45321 
1 1 1  -18   15   41 o  128.025   5.8138  108.343   9.7226   99.035   12.020  125.959   16.535  120.453   7.3638  135.598   8.9986 -15.14503 11.62763 
1 1 1  -18   15   42 o  129.669   6.1807  113.529   10.767  103.162   14.136  127.854   16.617  122.757   8.4974  136.580   8.9778 -13.82278 12.36150 
1 1 1  -18   15   43 o  170.890   7.4924  199.546   17.351  199.546   17.351   0.0000   0.0000  170.890   7.4924  ?   ?       ?      ? 
1 1 1  -18   15   44 o   98.792   9.4671   67.071   12.674   67.071   12.674   0.0000   0.0000   98.792   9.4671  ?   ?       ?      ? 
1 1 1  -18   15   45 o  207.652   5.5316  293.808   14.433  291.567   17.387  298.773   25.883  206.775   6.2050  208.529   9.1594 -1.753799 11.06326 
1 1 1  -18   15   46 o   39.519   10.398   7.9544   7.6920   2.8566   10.849   13.108   10.908   34.536   14.267   44.503   15.132 -9.966602 20.79682 
1 1 1  -18   15   47 o  179.154   7.5163  219.773   18.248  219.773   18.248   0.0000   0.0000  179.154   7.5163  ?   ?       ?      ? 
1 1 1  -18   15   48 o   42.334   10.049   11.464   6.6091   14.646   10.984   9.6573   8.2745   46.161   15.175   38.507   13.179 7.653934 20.09866 
1 1 1  -18   15   49 o  104.117   6.0034   73.771   8.3461   79.097   13.146   70.175   10.802  107.125   9.0559  101.110   7.8839 6.014412 12.00687 
1 1 1  -18   15   50 o   89.211   6.5744   53.233   7.8060   64.702   12.570   46.034   9.9590   96.731   9.5895   81.691   8.9962 15.04034 13.14878 
1 1 1  -18   15   51 o  211.489   5.0024  307.453   14.257  298.439   21.126  314.992   19.320  208.489   7.4775  214.488   6.6471 -5.999634 10.00481 
1 1 1  -18   15   52 o  101.957   6.1476   72.598   8.2076   68.407   13.229   75.220   10.465   99.270   9.8342  104.644   7.3799 -5.373962 12.29530 
1 1 1  -18   15   53 o  135.702   6.8695  126.366   12.633   0.0000   0.0000  126.366   12.633  ?   ?   135.702   6.8695      ?      ? 
1 1 1  -18   15   54 o   37.614   10.363   7.4635   6.7858   2.0050   15.120   8.8403   7.5936   38.570   16.439   36.657   12.621 1.913235 20.72528 
1 1 1  -18   15   55 o   47.437   9.5162   16.937   6.3661   13.490   10.644   18.856   7.9435   44.149   14.947   50.724   11.782 -6.575253 19.03234 
1 1 1  -18   15   56 o   97.356   6.0953   65.220   7.8943   68.773   12.545   62.890   10.158   99.336   9.3190   95.376   7.8591 3.959816 12.19056 
1 1 1  -18   15   57 o   49.317   9.4220   18.138   6.3412   17.473   10.288   18.545   8.0529   48.522   14.517   50.112   12.014 -1.589508 18.84394 
1 1 1  -18   15   58 f   54.932   10.437   22.556   7.8470   20.701   10.234   25.201   12.225   52.419   14.099   57.445   15.392 -5.026958 20.87369 
1 1 1  -18   15   59 o   80.261   8.2236   45.652   8.7711   44.162   11.277   47.933   13.955   78.988   10.536   81.533   12.630 -2.545029 16.44722 
1 1 1  -18   15   60 o   45.426   9.4725   15.041   6.1386   17.706   9.7310   13.280   7.9114   48.429   14.022   42.423   12.739 6.006264 18.94492 
1 1 1  -18   15   61 o   46.431   9.4875   15.813   6.2527   19.376   9.7582   13.331   8.1443   50.429   13.854   42.433   12.966 7.995579 18.97502 
1 1 1  -18   15   62 o  119.520   5.5383  100.359   8.8933   93.227   13.156  106.360   12.068  115.312   8.4192  123.728   7.1977 -8.415367 11.07660 
1 1 1  -18   15   63 o   97.779   6.2936   69.472   8.0556   52.652   11.861   83.876   10.975   85.849   10.195  109.708   7.3824 -23.85898 12.58726 
1 1 1  -18   15   64 o  149.446   7.0532  155.510   14.284   0.0000   0.0000  155.510   14.284  ?   ?   149.446   7.0532      ?      ? 
1 1 1  -18   15   65 o   97.811   6.3432   69.596   8.1549   53.487   11.923   83.753   11.178   86.253   10.201  109.369   7.5422 -23.11549 12.68637 
1 1 1  -18   15   66 o  104.698   7.6819   81.943   9.6687   74.031   17.881   85.212   11.494   99.251   13.295  110.145   7.7006 -10.89381 15.36376 
1 1 1  -18   15   67 o   87.552   9.0547   56.589   10.617   63.142   16.608   52.061   13.806   91.364   13.414   83.739   12.166 7.625069 18.10937 
1 1 1  -18   15   68 o   43.694   11.179   13.892   8.3577   16.498   13.318   12.200   10.735   46.270   16.648   41.117   14.924 5.152298 22.35862 
1 1 1  -18   15   69 o   54.092   9.8300   24.135   8.8991   3.7479   13.860   38.435   11.608   36.377   15.627   71.807   11.929 -35.42987 19.66006 
1 1 1  -18   15   70 o   35.355   10.209   5.5663   8.0607  -1.5924   12.732   10.355   10.413   31.886   14.283   38.823   14.590 -6.937040 20.41776 
1 1 1  -18   15   71 o  114.693   11.918   98.751   18.524   98.751   18.524   0.0000   0.0000  114.693   11.918  ?   ?       ?      ? 
1 1 1  -18   15   72 o   32.484   14.418  -0.0930   12.664  -0.0930   12.664   0.0000   0.0000   32.484   14.418  ?   ?       ?      ? 
1 1 1  -18   16    1 o   64.624   7.8714   28.438   6.6580   22.655   8.7642   36.330   10.239   56.408   11.843   72.840   10.373 -16.43182 15.74284 
1 1 1  -18   16    2 o  107.536   5.7115   79.105   8.2213   80.547   10.870   77.176   12.568  108.742   7.3762  106.330   8.7222 2.411705 11.42300 
1 1 1  -18   16    3 o  132.583   7.4218  124.265   11.185  127.782   12.833  113.150   22.813  137.010   6.9121  128.156   13.136 8.853806 14.84350 
1 1 1  -18   16    4 o   71.710   10.514   38.640   8.2745   40.491   9.3143   31.708   18.022   77.009   8.9254   66.411   19.041 10.59756 21.02884 
1 1 1  -18   16    5 o  112.287   5.5572   85.355   8.4217   75.726   11.429   96.794   12.457  105.393   8.0026  119.181   7.7130 -13.78833 11.11447 
1 1 1  -18   16    6 o  153.137   5.0402  160.472   10.387  181.420   14.650  139.297   14.729  163.288   6.6206  142.986   7.6015 20.30223 10.08047 
1 1 1  -18   16    7 o  145.849   5.0616  145.273   9.9725  155.750   13.949  134.318   14.263  151.279   6.8042  140.419   7.4955 10.85983 10.12322 
1 1 1  -18   16    8 o  113.465   5.4633   87.594   8.3938   83.377   11.621   92.193   12.137  110.613   7.7528  116.318   7.6998 -5.705261 10.92668 
1 1 1  -18   16    9 o  120.737   6.1062  108.192   8.7936  121.308   10.628   79.732   15.656  133.584   5.8712  107.889   10.709 25.69557 12.21245 
1 1 1  -18   16   10 o  115.211   5.6493   86.873   8.1624   81.456   9.7008  100.007   15.105  109.421   6.5422  121.000   9.2119 -11.57941 11.29864 
1 1 1  -18   16   11 o  144.588   5.4101  139.660   9.7090  135.685   11.525  149.379   18.021  141.266   6.0201  147.910   8.9909 -6.643326 10.82022 
1 1 1  -18   16   12 o  151.143   5.4024  154.185   10.130  152.047   12.061  159.306   18.666  149.547   5.9516  152.740   9.0179 -3.193787 10.80478 
1 1 1  -18   16   13 o  104.484   6.0139   73.679   7.9899   72.198   9.6970   76.810   14.100  102.986   6.9482  105.981   9.8178 -2.994438 12.02774 
1 1 1  -18   16   14 o   59.608   8.6056   24.508   6.5417   22.120   8.2136   28.651   10.818   55.825   11.246   63.391   13.029 -7.565372 17.21124 
1 1 1  -18   16   15 f  144.959   5.4904  144.215   9.9748  145.902   12.047  140.538   17.788  146.480   6.0691  143.437   9.1511 3.043015 10.98075 
1 1 1  -18   16   16 o  105.859   6.7122   77.437   9.5162   84.554   12.928   69.022   14.058  111.311   8.5709  100.407   10.332 10.90370 13.42435 
1 1 1  -18   16   17 o   72.770   8.4712   36.962   8.1503   37.827   11.193   35.987   11.891   74.266   11.122   71.274   12.781 2.992447 16.94250 
1 1 1  -18   16   18 o   71.054   7.5708   33.806   6.9696   32.026   8.5719   37.277   11.972   68.460   9.2397   73.648   11.996 -5.187630 15.14163 
1 1 1  -18   16   19 o   58.272   8.8309   23.196   6.6239   19.457   8.3584   29.510   10.861   52.187   12.061   64.357   12.902 -12.17031 17.66176 
1 1 1  -18   16   20 o   41.569   9.7626   11.345   6.3110   11.640   7.9987   10.858   10.272   41.246   12.891   41.891   14.665 -0.6456223 19.52529 
1 1 1  -18   16   21 o   43.826   9.4795   11.573   6.2822   6.2875   7.9544   20.335   10.242   34.367   12.784   53.286   14.001 -18.91888 18.95907 
1 1 1  -18   16   22 o   93.247   6.4723   58.050   7.8884   54.510   9.7981   64.572   13.299   89.389   8.0886   97.105   10.106 -7.716034 12.94461 
1 1 1  -18   16   23 o  135.443   6.5043  124.855   11.938  124.855   11.938   0.0000   0.0000  135.443   6.5043  ?   ?       ?      ? 
1 1 1  -18   16   24 o   54.279   12.529   21.092   9.0285   21.092   9.0285   0.0000   0.0000   54.279   12.529  ?   ?       ?      ? 
1 1 1  -18   16   25 o  149.690   8.0279  152.897   16.285  152.897   16.285   0.0000   0.0000  149.690   8.0279  ?   ?       ?      ? 
1 1 1  -18   16   26 o  125.502   8.6400  107.615   14.694  107.615   14.694   0.0000   0.0000  125.502   8.6400  ?   ?       ?      ? 
1 1 1  -18   16   27 o  115.530   6.1930   91.689   9.2202   92.749   11.435   89.719   15.588  116.649   7.2340  114.410   10.054 2.238701 12.38594 
1 1 1  -18   16   28 o  250.094   6.9367  428.773   23.445  425.912   34.385  431.258   32.050  249.206   10.182  250.981   9.4234 -1.775604 13.87337 
1 1 1  -18   16   29 o  108.321   8.1270   80.400   11.686   82.585   18.591   78.973   15.026  109.370   12.544  107.272   10.337 2.098274 16.25398 
1 1 1  -18   16   30 o  205.462   5.4826  283.129   14.078  275.449   16.806  301.193   25.776  201.152   6.1655  209.771   9.0675 -8.619354 10.96511 
1 1 1  -18   16   31 o  104.457   6.6035   76.239   8.8872   79.987   11.140   69.678   14.740  108.253   7.5938  100.661   10.805 7.592468 13.20694 
1 1 1  -18   16   32 o  185.909   5.9442  241.785   14.536  264.655   19.012  209.605   22.553  196.977   7.1226  174.842   9.5186 22.13510 11.88845 
1 1 1  -18   16   33 o  149.703   6.0107  154.119   11.994  157.912   15.726  148.842   18.547  152.059   7.6316  147.348   9.2884 4.710693 12.02147 
1 1 1  -18   16   34 f  108.398   7.9874   80.799   11.489   82.324   18.264   79.800   14.779  109.053   12.359  107.744   10.122 1.308556 15.97485 
1 1 1  -18   16   35 o   78.072   9.9534   42.460   10.029   46.407   16.367   40.087   12.690   80.071   15.644   76.073   12.310 3.997490 19.90686 
1 1 1  -18   16   36 o  220.095   5.8518  323.073   16.916  299.085   21.119  366.009   28.255  209.210   7.4491  230.980   9.0268 -21.77039 11.70354 
1 1 1  -18   16   37 o  119.000   6.0094   91.338   9.3530   76.308   11.525  120.328   16.006  105.577   8.0556  132.423   8.9197 -26.84600 12.01888 
1 1 1  -18   16   38 o  124.435   5.9971  104.272   9.7480   99.359   12.130  113.232   16.380  120.543   7.4255  128.328   9.4192 -7.785156 11.99413 
1 1 1  -18   16   39 o  206.527   5.6009  295.758   14.477  301.864   17.512  282.577   25.728  210.381   6.1424  202.674   9.3676 7.707275 11.20185 
1 1 1  -18   16   40 o   59.257   12.254   25.287   9.5155   25.287   9.5155   0.0000   0.0000   59.257   12.254  ?   ?       ?      ? 
1 1 1  -18   16   41 o  108.163   7.7837   80.189   11.409   80.189   11.409   0.0000   0.0000  108.163   7.7837  ?   ?       ?      ? 
1 1 1  -18   16   42 o  206.134   5.5272  281.549   14.353  265.832   17.147  318.332   26.231  197.260   6.4146  215.008   9.0029 -17.74826 11.05441 
1 1 1  -18   16   43 o   74.205   8.8272   41.615   8.1409   49.804   10.563   29.634   12.777   84.983   9.1719   63.428   15.085 21.55527 17.65443 
1 1 1  -18   16   44 o   89.852   6.9542   56.063   8.2421   56.715   10.556   55.045   13.192   90.749   8.5834   88.955   10.944 1.793945 13.90838 
1 1 1  -18   16   45 o   83.238   7.1993   48.183   7.9308   48.552   10.206   47.620   12.600   83.860   8.9812   82.616   11.254 1.244431 14.39853 
1 1 1  -18   16   46 o  120.912   6.0650  100.104   9.6048   97.956   12.064  103.824   15.872  119.418   7.4552  122.406   9.5687 -2.988190 12.13008 
1 1 1  -18   16   47 o  106.016   7.1440   78.160   10.236   85.973   14.678   70.764   14.281  111.271   9.7344  100.761   10.459 10.50901 14.28795 
1 1 1  -18   16   48 o   43.098   10.774   12.137   7.9414   8.7041   12.149   14.697   10.493   40.589   15.638   45.607   14.825 -5.017555 21.54780 
1 1 1  -18   16   49 o  127.197   6.5056  112.402   11.190  113.186   15.368  111.519   16.325  127.776   8.8753  126.618   9.5142 1.157890 13.01118 
1 1 1  -18   16   50 o   44.382   10.491   13.251   7.5550   18.240   11.097   8.9414   10.315   49.757   15.120   39.008   14.548 10.74852 20.98244 
1 1 1  -18   16   51 o   87.013   9.2181   51.432   10.286   73.975   16.994   38.398   12.922  101.970   12.299   72.057   13.735 29.91259 18.43620 
1 1 1  -18   16   52 o   75.626   7.2927   37.454   6.9811   57.949   11.765   26.318   8.6728   91.038   9.5368   60.213   11.035 30.82520 14.58530 
1 1 1  -18   16   53 o   66.657   8.3989   36.496   6.7883   19.280   10.922   47.333   8.6652   50.650   14.911   82.664   7.7353 -32.01380 16.79773 
1 1 1  -18   16   54 o   91.383   6.3307   59.561   7.5801   52.959   11.957   63.998   9.8014   86.649   10.183   96.116   7.5251 -9.466820 12.66144 
1 1 1  -18   16   55 o   31.906   8.7174   1.7804   5.7212   11.767   9.2787  -4.3451   7.2670   40.976   13.956   22.836   10.451 18.14016 17.43487 
1 1 1  -18   16   56 o   90.748   8.4811   64.199   9.2895   79.011   12.116   43.073   14.470  106.322   8.4091   75.174   14.731 31.14821 16.96213 
1 1 1  -18   16   57 o   62.849   7.8914   28.503   6.4966   30.200   10.076   27.296   8.4993   63.713   12.113   61.986   10.118 1.727417 15.78283 
1 1 1  -18   16   58 o   45.510   7.7869   15.655   5.9949  -0.8400   9.2415   27.638   7.8770   28.497   12.495   62.523   9.2969 -34.02640 15.57388 
1 1 1  -18   16   59 o   96.861   6.0076   66.848   7.7510   60.239   11.710   72.001   10.341   92.155   9.3767  101.568   7.5129 -9.413239 12.01525 
1 1 1  -18   16   60 o   46.482   8.7853   17.168   6.1438   7.6022   9.4819   24.090   8.0661   35.980   13.827   56.985   10.841 -21.00504 17.57067 
1 1 1  -18   16   61 o   33.734   9.0043   6.3932   5.9645   0.3751   9.3247   10.560   7.7594   29.309   12.705   38.158   12.763 -8.848728 18.00854 
1 1 1  -18   16   62 o  127.931   5.4992  115.963   9.4478  102.009   13.651  128.791   13.089  120.108   8.3872  135.755   7.1149 -15.64713 10.99847 
1 1 1  -18   16   63 o   44.672   10.243   15.596   7.4003   19.927   9.6577   9.4358   11.517   50.324   13.765   39.019   15.172 11.30473 20.48511 
1 1 1  -18   16   64 o   47.701   10.795   17.902   8.7075   6.7327   13.193   26.522   11.590   37.987   15.716   57.416   14.802 -19.42928 21.58926 
1 1 1  -18   16   65 f   50.467   11.419   20.675   8.7232   21.776   13.711   19.926   11.307   51.309   16.959   49.625   15.297 1.684605 22.83842 
1 1 1  -18   16   66 o   48.930   11.617   19.443   8.9990   20.314   14.018   18.832   11.737   49.671   17.146   48.189   15.679 1.482502 23.23363 
1 1 1  -18   16   67 o   83.024   10.243   57.944   10.615   36.303   15.927   75.238   14.238   64.692   17.669  101.356   10.366 -36.66346 20.48517 
1 1 1  -18   16   68 o   35.595   9.7145   4.3120   8.0875 -13.5377   12.825   16.097   10.421   26.329   12.608   44.862   14.783 -18.53292 19.42891 
1 1 1  -18   16   69 o   70.318   16.842   42.351   15.837   42.351   15.837   0.0000   0.0000   70.318   16.842  ?   ?       ?      ? 
1 1 1  -18   17    1 o  150.098   5.1014  154.370   10.304  160.156   13.935  147.391   15.304  153.284   6.7087  146.912   7.6872 6.372467 10.20289 
1 1 1  -18   17    2 o   64.907   7.9482   29.046   6.8068   26.669   8.9430   32.318   10.495   61.324   11.173   68.489   11.307 -7.165291 15.89644 
1 1 1  -18   17    3 o  144.066   5.1973  143.137   10.036  158.302   13.750  125.848   14.682  152.410   6.6576  135.722   7.9829 16.68866 10.39470 
1 1 1  -18   17    4 o   65.982   8.0016   31.167   6.8261   35.249   9.1510   26.047   10.249   71.717   9.4160   60.248   12.940 11.46908 16.00312 
1 1 1  -18   17    5 o   60.133   8.3385   24.912   6.7850   9.9626   9.0125   44.470   10.308   39.714   13.746   80.553   9.4434 -40.83956 16.67696 
1 1 1  -18   17    6 o  130.143   5.3340  114.499   9.3520   99.123   12.604  133.330   13.949  120.493   7.7193  139.793   7.3633 -19.29993 10.66797 
1 1 1  -18   17    7 o   33.992   9.0707   3.7056   6.1962  -2.9925   8.4746   11.399   9.0826   26.467   11.768   41.516   13.807 -15.04929 18.14146 
1 1 1  -18   17    8 o   61.788   8.3181   27.106   6.7499   19.508   9.4375   35.063   9.6581   52.091   13.318   71.485   9.9699 -19.39450 16.63619 
1 1 1  -18   17    9 o   48.166   9.4918   16.029   6.1022   15.151   7.3753   17.934   10.865   46.015   11.778   50.317   14.888 -4.301331 18.98364 
1 1 1  -18   17   10 o   58.153   8.8186   22.666   6.3824   19.737   7.6842   29.181   11.461   52.598   11.128   63.709   13.684 -11.11135 17.63723 
1 1 1  -18   17   11 o   43.029   9.7393   12.783   6.6458   16.467   8.4486   6.8032   10.764   47.962   12.771   38.096   14.707 9.866234 19.47852 
1 1 1  -18   17   12 o  126.931   7.4006  113.144   12.438   93.827   18.561  128.889   16.757  116.652   11.741  137.210   9.0119 -20.55854 14.80124 
1 1 1  -18   17   13 o   77.457   9.6747   44.081   9.5826   32.513   14.391   53.295   12.844   66.880   16.078   88.035   10.766 -21.15465 19.34939 
1 1 1  -18   17   14 o   44.880   10.088   13.985   6.9835   16.622   8.9773   9.9454   11.113   48.230   13.304   41.531   15.169 6.699116 20.17599 
1 1 1  -18   17   15 o  136.803   5.9987  128.186   10.788  128.784   13.708  127.213   17.486  137.380   7.3632  136.227   9.4721 1.153229 11.99744 
1 1 1  -18   17   16 o   62.696   9.3146   28.975   7.7147   35.157   10.227   20.811   11.752   71.510   10.553   53.881   15.352 17.62843 18.62923 
1 1 1  -18   17   17 o  152.924   5.8326  158.916   11.704  156.063   14.746  163.772   19.237  151.245   7.1948  154.603   9.1822 -3.358215 11.66529 
1 1 1  -18   17   18 o   47.279   9.6017   16.338   6.5998   19.684   8.4155   10.993   10.637   52.368   12.102   42.191   14.910 10.17662 19.20340 
1 1 1  -18   17   19 o   72.809   9.3879   36.351   9.2627   36.351   9.2627   0.0000   0.0000   72.809   9.3879  ?   ?       ?      ? 
1 1 1  -18   17   20 o  213.176   5.9666  309.436   17.236  309.436   17.236   0.0000   0.0000  213.176   5.9666  ?   ?       ?      ? 
1 1 1  -18   17   21 o  181.354   5.4834  221.962   12.382  217.801   14.768  231.811   22.721  178.820   6.0942  183.887   9.1177 -5.067596 10.96686 
1 1 1  -18   17   22 o  148.840   5.6156  149.189   10.580  145.232   12.769  157.853   18.896  145.967   6.4552  151.712   9.1909 -5.745483 11.23130 
1 1 1  -18   17   23 o  117.436   7.6386   96.592   11.948   82.678   17.705  108.228   16.191  109.321   11.951  125.551   9.5161 -16.22993 15.27712 
1 1 1  -18   17   24 o  133.475   7.4352  125.048   13.177  101.364   19.229  146.015   18.092  121.067   11.721  145.883   9.1518 -24.81588 14.87040 
1 1 1  -18   17   25 o  214.630   5.5353  311.350   14.704  306.044   17.467  324.260   27.244  211.925   6.0819  217.335   9.2504 -5.409500 11.07067 
1 1 1  -18   17   26 o  133.492   5.9747  124.556   10.086  129.369   12.371  115.015   17.417  137.701   6.6295  129.283   9.9417 8.418549 11.94935 
1 1 1  -18   17   27 o   92.792   7.1890   63.483   8.2860   72.865   10.388   47.069   13.739  103.242   7.4248   82.343   12.312 20.89845 14.37794 
1 1 1  -18   17   28 o   67.515   8.9451   35.559   7.5031   44.082   9.5505   21.816   12.127   80.145   8.7936   54.885   15.580 25.26054 17.89022 
1 1 1  -18   17   29 o   85.105   7.2702   51.660   7.8820   55.704   9.8595   44.498   13.120   90.169   8.0689   80.041   12.096 10.12730 14.54040 
1 1 1  -18   17   30 o   50.126   9.6049   18.973   6.9682   24.304   8.9209   10.629   11.160   58.207   11.715   42.046   15.224 16.16058 19.20980 
1 1 1  -18   17   31 o   53.040   10.511   20.236   8.1662   27.501   11.495   12.835   11.603   61.443   14.104   44.637   15.588 16.80574 21.02187 
1 1 1  -18   17   32 o  143.165   8.2667  140.669   16.038  140.669   16.038   0.0000   0.0000  143.165   8.2667  ?   ?       ?      ? 
1 1 1  -18   17   33 o  121.548   8.9994  101.691   14.823  101.691   14.823   0.0000   0.0000  121.548   8.9994  ?   ?       ?      ? 
1 1 1  -18   17   34 o  133.823   6.0101  120.352   10.290  115.034   12.502  131.521   18.117  129.633   7.1165  138.013   9.6871 -8.380692 12.02018 
1 1 1  -18   17   35 o  145.964   5.8345  144.601   10.861  141.114   13.212  151.870   19.075  143.618   6.7886  148.310   9.4910 -4.692719 11.66897 
1 1 1  -18   17   36 o  163.554   5.6286  177.676   11.721  166.867   14.126  201.558   20.998  156.169   6.6750  170.939   9.0646 -14.76973 11.25710 
1 1 1  -18   17   37 o   56.866   12.814   23.571   9.6376   23.571   9.6376   0.0000   0.0000   56.866   12.814  ?   ?       ?      ? 
1 1 1  -18   17   38 o   73.930   9.9398   37.907   9.9582   37.907   9.9582   0.0000   0.0000   73.930   9.9398  ?   ?       ?      ? 
1 1 1  -18   17   39 o   81.649   9.0143   48.430   9.3406   32.320   12.985   65.703   13.446   66.080   14.861   97.218   10.206 -31.13821 18.02861 
1 1 1  -18   17   40 o  201.324   6.1593  282.010   16.518  291.772   21.697  268.552   25.474  205.894   7.7763  196.754   9.5540 9.140076 12.31865 
1 1 1  -18   17   41 o  125.226   6.7012  109.028   11.342  111.585   15.609  106.167   16.509  126.908   9.0764  123.544   9.8612 3.364639 13.40241 
1 1 1  -18   17   42 o  136.626   5.8524  127.400   10.436  123.304   13.014  134.779   17.467  133.915   7.1711  139.337   9.2508 -5.421280 11.70481 
1 1 1  -18   17   43 o  115.691   6.2573   93.753   9.4131   96.346   11.863   89.345   15.468  118.273   7.4015  113.109   10.091 5.163887 12.51461 
1 1 1  -18   17   44 o   86.083   6.9988   50.077   7.9993   43.730   10.145   60.508   13.006   79.224   9.4494   92.942   10.327 -13.71828 13.99756 
1 1 1  -18   17   45 f   97.787   6.6314   66.900   8.4774   67.529   10.708   65.842   13.876   98.785   7.9991   96.789   10.579 1.995453 13.26285 
1 1 1  -18   17   46 o   34.036   9.3604   5.2072   6.4744   9.3311   8.5706  -0.2740   9.8809   37.845   13.383   30.228   13.091 7.616467 18.72075 
1 1 1  -18   17   47 o   30.661   9.3772  -0.2482   7.2080  -3.1466   10.689   2.1690   9.7615   29.409   13.137   31.912   13.385 -2.503870 18.75450 
1 1 1  -18   17   48 o  169.636   6.1631  200.710   14.011  200.547   18.502  200.929   21.452  169.921   8.0350  169.352   9.3474 0.5692902 12.32624 
1 1 1  -18   17   49 o   80.328   7.5890   42.941   7.7422   30.377   9.6770   65.287   12.905   64.407   11.510   96.249   9.8945 -31.84249 15.17808 
1 1 1  -18   17   50 o   83.214   7.2165   49.511   7.8084   50.910   9.8546   47.150   12.800   85.353   8.5200   81.076   11.650 4.277039 14.43295 
1 1 1  -18   17   51 o   72.195   8.4016   40.428   7.4566   47.211   9.5353   29.749   11.963   82.110   8.5695   62.280   14.454 19.83089 16.80311 
1 1 1  -18   17   52 o   54.016   9.5082   22.931   6.9586   26.293   8.9950   17.921   10.981   59.552   11.563   48.481   15.097 11.07077 19.01630 
1 1 1  -18   17   53 o   41.234   13.411   12.468   8.5876   12.468   8.5876   0.0000   0.0000   41.234   13.411  ?   ?       ?      ? 
1 1 1  -18   17   54 o   44.496   13.113   15.014   8.4432   15.014   8.4432   0.0000   0.0000   44.496   13.113  ?   ?       ?      ? 
1 1 1  -18   17   55 o   38.566   8.8950   5.5638   6.2883  -4.3454   7.9540   22.081   10.269   23.889   10.933   53.243   14.034 -29.35388 17.79001 
1 1 1  -18   17   56 o   81.354   8.4657   50.592   8.7214   58.415   11.581   40.345   13.255   90.512   9.4422   72.196   14.054 18.31569 16.93141 
1 1 1  -18   17   57 o   37.166   9.1620   9.7766   5.8275   5.6027   9.3155   12.460   7.4695   33.691   13.475   40.641   12.417 -6.949890 18.32393 
1 1 1  -18   17   58 o   33.199   8.8280  -0.8384   6.6593 -13.7806   8.8123   16.391   10.168   20.540   9.9849   45.859   14.562 -25.31903 17.65606 
1 1 1  -18   17   59 o   49.397   9.8394   19.830   7.4046   27.048   9.8023   10.239   11.300   59.250   12.596   39.544   15.119 19.70604 19.67878 
1 1 1  -18   17   60 o   38.307   10.019   9.8115   7.1223   13.623   9.5688   5.0770   10.665   42.256   14.173   34.358   14.165 7.897663 20.03805 
1 1 1  -18   17   61 o   31.276   9.7509  -1.6277   7.8074   5.4867   13.016  -5.6257   9.7575   36.767   15.441   25.786   11.913 10.98036 19.50182 
1 1 1  -18   17   62 o   69.218   10.914   37.896   9.9556   50.653   15.530   28.997   12.971   79.380   14.987   59.056   15.869 20.32377 21.82721 
1 1 1  -18   17   63 o   55.247   11.463   26.330   9.4615   18.901   14.593   31.718   12.427   48.163   17.414   62.330   14.913 -14.16695 22.92644 
1 1 1  -18   17   64 o   56.112   11.009   27.163   9.2278   16.337   13.929   35.630   12.319   45.589   16.925   66.636   14.083 -21.04744 22.01755 
1 1 1  -18   17   65 o   31.724   9.8777   0.6325   8.2149  -1.0725   12.594   1.8952   10.838   31.752   14.216   31.696   13.718 0.5602074E-01 19.75547 
1 1 1  -18   17   66 o   48.251   15.781   19.526   11.885   0.0000   0.0000   19.526   11.885  ?   ?    48.251   15.781      ?      ? 
1 1 1  -18   18    1 o  125.373   10.525  108.804   17.882   0.0000   0.0000  108.804   17.882  ?   ?   125.373   10.525      ?      ? 
1 1 1  -18   18    2 o   72.467   8.5585   36.500   7.8258   35.044   9.6538   39.290   13.365   71.234   10.001   73.700   13.892 -2.465996 17.11699 
1 1 1  -18   18    3 o  115.270   6.8307   96.351   9.8869  106.843   12.333   77.482   16.539  124.942   7.2843  105.598   11.557 19.34412 13.66147 
1 1 1  -18   18    4 o  164.419   5.9485  185.488   12.545  185.201   15.431  186.045   21.542  164.583   6.9189  164.254   9.6782 0.3297577 11.89701 
1 1 1  -18   18    5 o   72.954   8.2926   33.852   7.6351   24.339   9.3032   53.482   13.363   58.099   12.204   87.808   11.230 -29.70905 16.58515 
1 1 1  -18   18    6 o  153.137   5.9577  163.257   11.730  168.569   14.598  153.581   19.703  157.039   6.8598  149.234   9.7426 7.804977 11.91531 
1 1 1  -18   18    7 o  129.453   5.6055  113.555   9.7496   94.871   13.097  136.779   14.601  117.590   8.2190  141.316   7.6246 -23.72585 11.21099 
1 1 1  -18   18    8 o   57.515   10.578   17.171   9.5888   47.463   16.144   0.6606   11.919   80.769   15.310   34.262   14.599 46.50665 21.15505 
1 1 1  -18   18    9 o  109.611   6.7904   80.783   9.9198   72.318   12.703   94.013   15.881  102.518   9.1438  116.704   10.041 -14.18622 13.58085 
1 1 1  -18   18   10 o   35.663   9.5648   6.6823   6.0865   7.3395   7.3409   5.2369   10.887   34.756   12.375   36.571   14.587 -1.815788 19.12954 
1 1 1  -18   18   11 o  134.954   5.6986  120.451   9.4885  114.563   11.169  135.720   17.986  129.543   6.3624  140.364   9.4559 -10.82109 11.39715 
1 1 1  -18   18   12 f  154.245   5.6075  159.483   10.594  154.829   12.460  171.625   20.126  150.640   6.1039  157.851   9.4084 -7.210297 11.21503 
1 1 1  -18   18   13 o   75.077   7.6336   38.099   7.2084   36.600   8.6330   41.551   13.100   72.975   8.7298   77.179   12.525 -4.203499 15.26725 
1 1 1  -18   18   14 o  164.253   5.5050  180.578   11.115  174.884   13.097  195.235   21.012  160.105   6.0363  168.401   9.2077 -8.295639 11.00993 
1 1 1  -18   18   15 o  133.923   6.3646  122.465   11.551  122.465   11.551   0.0000   0.0000  133.923   6.3646  ?   ?       ?      ? 
1 1 1  -18   18   16 o   58.405   11.372   24.449   8.6770   24.449   8.6770   0.0000   0.0000   58.405   11.372  ?   ?       ?      ? 
1 1 1  -18   18   17 o  116.459   6.0203   86.225   8.8745   75.174   10.535  113.220   16.467  104.770   7.4204  128.147   9.4824 -23.37692 12.04070 
1 1 1  -18   18   18 o  147.384   7.0861  150.868   14.076  136.997   20.276  163.771   19.556  140.629   10.640  154.139   9.3623 -13.50998 14.17223 
1 1 1  -18   18   19 o  102.054   7.1136   72.305   9.7823   75.635   13.352   68.446   14.373  104.728   9.4079   99.379   10.673 5.349495 14.22728 
1 1 1  -18   18   20 o   78.107   7.4027   41.028   7.6062   37.475   9.5064   47.348   12.680   73.692   9.5194   82.521   11.339 -8.828217 14.80531 
1 1 1  -18   18   21 o   97.984   6.8700   68.630   8.5070   73.588   10.543   59.380   14.401  103.611   7.5089   92.357   11.507 11.25441 13.73997 
1 1 1  -18   18   22 o   39.990   9.7714   7.0517   7.5014  -4.5073   10.491   19.145   10.730   28.666   12.894   51.315   14.686 -22.64916 19.54286 
1 1 1  -18   18   23 o  135.573   6.3351  123.105   11.463  106.008   14.744  149.232   18.227  124.058   8.7703  147.088   9.1442 -23.03002 12.67027 
1 1 1  -18   18   24 o   50.469   9.5311   16.489   7.8724   1.2901   10.880   33.190   11.405   33.198   14.038   67.740   12.895 -34.54198 19.06221 
1 1 1  -18   18   25 f  112.376   6.6914   86.364   10.092   81.017   13.227   93.812   15.611  108.362   9.0072  116.390   9.8979 -8.027138 13.38281 
1 1 1  -18   18   26 o   94.861   7.2860   61.901   9.3187   56.919   12.439   68.275   14.069   90.587   10.133   99.135   10.473 -8.547668 14.57202 
1 1 1  -18   18   27 o  102.013   9.6694   79.557   11.881   58.049   19.383   92.503   15.038   88.438   16.787  115.587   9.6006 -27.14931 19.33875 
1 1 1  -18   18   28 o   58.979   11.298   19.813   9.4312   45.421   17.181   8.7680   11.283   77.953   16.762   40.005   15.153 37.94786 22.59577 
1 1 1  -18   18   29 o   62.069   9.5682   27.618   8.0714   18.557   11.022   38.098   11.853   50.444   15.011   73.695   11.869 -23.25122 19.13649 
1 1 1  -18   18   30 o   82.355   7.8599   47.262   8.7268   45.904   11.694   48.970   13.110   81.131   10.637   83.578   11.575 -2.447578 15.71988 
1 1 1  -18   18   31 o   85.711   7.1392   50.608   7.8960   49.437   9.7319   52.865   13.507   84.608   8.4880   86.815   11.481 -2.207176 14.27830 
1 1 1  -18   18   32 o   43.943   9.3409   10.361   6.5630   1.9971   8.2303   24.967   10.876   29.826   12.382   58.060   13.989 -28.23394 18.68176 
1 1 1  -18   18   33 o   70.071   8.8310   37.879   7.5499   43.425   9.4083   27.846   12.653   79.191   8.7670   60.951   15.333 18.24031 17.66210 
1 1 1  -18   18   34 o   80.885   8.9272   45.376   9.7851   45.376   9.7851   0.0000   0.0000   80.885   8.9272  ?   ?       ?      ? 
1 1 1  -18   18   35 o   97.194   8.0080   65.270   10.547   65.270   10.547   0.0000   0.0000   97.194   8.0080  ?   ?       ?      ? 
1 1 1  -18   18   36 f  104.155   6.6563   77.401   8.8253   81.485   10.951   69.836   14.906  108.708   7.4337   99.601   11.044 9.107231 13.31251 
1 1 1  -18   18   37 o   92.963   6.8552   54.904   8.2347   41.049   10.036   83.444   14.404   76.656   9.6617  109.271   9.7277 -32.61453 13.71041 
1 1 1  -18   18   38 f  117.035   6.4062   96.295   9.5460   98.076   11.729   92.800   16.430  119.230   7.2590  114.839   10.558 4.391075 12.81243 
1 1 1  -18   18   39 o  117.187   7.2838   98.266   11.183  104.281   14.400   89.126   17.750  122.409   8.6811  111.965   11.698 10.44411 14.56754 
1 1 1  -18   18   40 o  107.500   9.2865   80.837   13.528   80.837   13.528   0.0000   0.0000  107.500   9.2865  ?   ?       ?      ? 
1 1 1  -18   18   41 o   97.693   6.7314   63.746   8.5027   56.940   10.350   77.871   14.911   90.416   8.4474  104.969   10.483 -14.55305 13.46275 
1 1 1  -18   18   42 o   50.824   9.9015   19.870   6.9409   21.413   8.6371   17.056   11.662   53.654   12.160   47.994   15.630 5.659512 19.80293 
1 1 1  -18   18   43 f   42.226   9.8034   13.045   6.6223   15.869   8.3952   8.3939   10.775   46.052   12.925   38.399   14.744 7.652660 19.60679 
1 1 1  -18   18   44 o   39.188   10.130   9.4361   7.2207   13.890   10.178   4.9239   10.245   43.765   14.618   34.611   14.029 9.154564 20.26076 
1 1 1  -18   18   45 o   62.755   9.7409   29.978   8.0476   30.123   11.082   29.817   11.706   63.096   13.376   62.414   14.165 0.6820335 19.48190 
1 1 1  -18   18   46 o   30.635   8.9521   1.6266   6.0223  -1.8120   7.6765   7.1304   9.7118   25.299   11.227   35.972   13.947 -10.67285 17.90427 
1 1 1  -18   18   47 o   85.998   6.8472   50.297   7.6398   45.301   9.3500   60.335   13.252   80.263   8.5964   91.734   10.660 -11.47111 13.69449 
1 1 1  -18   18   48 o   35.911   9.4598   8.0820   6.2194   10.105   7.9592   4.9100   9.9668   37.827   12.925   33.996   13.816 3.831184 18.91959 
1 1 1  -18   18   49 o   38.388   9.3080   7.4952   6.2004   0.9123   7.7988   18.805   10.222   27.598   11.785   49.178   14.410 -21.58050 18.61592 
1 1 1  -18   18   50 o   36.106   12.992   8.7637   8.1109   8.7637   8.1109   0.0000   0.0000   36.106   12.992  ?   ?       ?      ? 
1 1 1  -18   18   51 o   51.049   12.545   20.019   8.6166   20.019   8.6166   0.0000   0.0000   51.049   12.545  ?   ?       ?      ? 
1 1 1  -18   18   52 o   41.444   9.7966   10.399   7.1604   1.4491   9.5374   21.961   10.840   30.332   12.995   52.557   14.664 -22.22561 19.59327 
1 1 1  -18   18   53 o   39.327   9.7608   10.023   7.2451   17.876   9.6536  -0.1050   10.963   47.688   14.012   30.967   13.592 16.72066 19.52164 
1 1 1  -18   18   54 o   43.926   10.259   14.979   7.3658   19.016   9.6983   9.4748   11.323   49.036   13.937   38.817   15.057 10.21950 20.51714 
1 1 1  -18   18   55 o   56.203   9.3525   23.322   8.0346   7.7835   10.826   42.379   11.988   36.822   14.590   75.584   11.704 -38.76199 18.70491 
1 1 1  -18   18   56 o   39.848   10.361   10.363   7.3550   6.4419   9.5383   16.114   11.552   34.394   13.674   45.301   15.569 -10.90716 20.72119 
1 1 1  -18   18   57 o   63.379   9.9161   31.906   8.1259   31.541   10.373   32.485   13.074   63.898   12.427   62.861   15.456 1.036999 19.83210 
1 1 1  -18   18   58 o   39.213   10.199   2.5874   8.4644   24.755   13.511 -11.7341   10.860   54.018   16.733   24.407   11.665 29.61078 20.39770 
1 1 1  -18   18   59 o   41.322   10.990   12.111   8.7145   5.4728   13.390   16.989   11.478   36.760   15.561   45.883   15.522 -9.123524 21.97908 
1 1 1  -18   18   60 o   48.576   10.992   19.314   9.2015   6.4222   13.911   29.341   12.269   37.706   15.906   59.446   15.177 -21.73960 21.98494 
1 1 1  -18   18   61 o   35.813   14.572   7.0034   11.103   0.0000   0.0000   7.0034   11.103  ?   ?    35.813   14.572      ?      ? 
1 1 1  -18   18   62 o   31.512   13.661   1.9648   10.783   0.0000   0.0000   1.9648   10.783  ?   ?    31.512   13.661      ?      ? 
1 1 1  -18   18   63 o   45.366   15.863   17.144   12.017   0.0000   0.0000   17.144   12.017  ?   ?    45.366   15.863      ?      ? 
1 1 1  -18   19    1 o  116.521   5.5674   94.648   8.6646  101.026   11.580   86.534   13.060  121.234   7.0486  111.808   8.6199 9.426125 11.13489 
1 1 1  -18   19    2 o   84.674   6.7096   49.492   7.6270   47.426   10.035   52.318   11.735   82.714   8.9532   86.635   9.9958 -3.920944 13.41923 
1 1 1  -18   19    3 o  148.113   6.6384  148.434   12.587  164.458   22.180  140.822   15.287  153.324   10.675  142.901   7.8941 10.42296 13.27672 
1 1 1  -18   19    4 o  111.622   7.3644   82.235   10.585  102.628   18.794   72.761   12.810  120.842   11.477  102.401   9.2315 18.44128 14.72873 
1 1 1  -18   19    5 o   41.798   9.2733   9.9759   6.2363   3.1514   7.9574   20.841   10.040   30.518   12.366   53.079   13.822 -22.56127 18.54658 
1 1 1  -18   19    6 o   56.323   8.7713   22.905   6.4527   21.046   8.4548   25.497   9.9860   53.695   11.930   58.951   12.862 -5.256016 17.54267 
1 1 1  -18   19    7 o  120.265   5.5618  100.343   8.9760  105.382   12.082   94.137   13.409  123.821   7.2005  116.708   8.4785 7.113052 11.12353 
1 1 1  -18   19    8 o   61.312   9.6160   26.177   7.5314   21.952   9.3110   34.171   12.809   54.661   12.796   67.964   14.357 -13.30375 19.23199 
1 1 1  -18   19    9 o   45.497   9.3623   16.086   6.1941   19.293   7.2855   7.7233   11.765   51.643   10.759   39.350   15.325 12.29329 18.72467 
1 1 1  -18   19   10 o   84.678   8.1929   57.521   7.4635   64.771   8.7827   38.675   14.160   97.174   6.6695   72.181   14.967 24.99236 16.38573 
1 1 1  -18   19   11 o  121.189   6.2307  100.589   10.233  100.589   10.233   0.0000   0.0000  121.189   6.2307  ?   ?       ?      ? 
1 1 1  -18   19   12 o   42.010   12.037   12.761   7.2049   12.761   7.2049   0.0000   0.0000   42.010   12.037  ?   ?       ?      ? 
1 1 1  -18   19   13 o   43.120   10.478   11.635   7.8118   18.509   11.067   4.8095   11.028   50.236   15.063   36.005   14.569 14.23097 20.95591 
1 1 1  -18   19   14 o  121.713   6.4230  103.945   10.159  107.397   12.813   98.102   16.671  124.891   7.5705  118.536   10.378 6.354706 12.84596 
1 1 1  -18   19   15 o  145.714   5.8301  148.629   10.178  151.028   11.947  142.283   19.433  148.554   5.9347  142.874   10.037 5.679794 11.66028 
1 1 1  -18   19   16 o   88.847   6.7269   51.794   7.4316   47.548   8.7488   62.797   14.083   83.051   7.7736   94.642   10.981 -11.59109 13.45383 
1 1 1  -18   19   17 o  113.014   5.8772   80.811   8.2594   70.866   9.6661  107.714   15.899  101.542   7.0246  124.485   9.4245 -22.94306 11.75440 
1 1 1  -18   19   18 o   64.215   8.9120   33.178   6.8444   38.221   8.2192   21.771   12.362   74.381   8.1543   54.048   15.849 20.33289 17.82391 
1 1 1  -18   19   19 o   97.815   6.4148   63.502   7.9485   58.651   9.5114   74.733   14.472   92.244   7.6089  103.387   10.330 -11.14285 12.82960 
1 1 1  -18   19   20 o   68.759   8.1098   32.395   6.9612   29.769   8.4197   38.067   12.375   65.395   9.5011   72.124   13.145 -6.729866 16.21957 
1 1 1  -18   19   21 o   52.186   9.3273   20.986   6.4943   23.502   7.9999   16.124   11.121   57.041   10.743   47.331   15.250 9.710117 18.65462 
1 1 1  -18   19   22 o   56.914   9.1848   24.263   6.7011   25.293   8.3125   22.349   11.325   59.205   10.757   54.623   14.891 4.582378 18.36967 
1 1 1  -18   19   23 o   70.885   8.1199   35.991   7.1739   36.036   8.8375   35.905   12.284   71.988   9.0592   69.781   13.478 2.206619 16.23971 
1 1 1  -18   19   24 o   41.492   10.341   11.010   7.3073   7.7948   9.9732   14.736   10.737   37.468   14.233   45.516   15.005 -8.047993 20.68174 
1 1 1  -18   19   25 o   82.880   7.9043   47.345   8.7297   37.043   11.490   61.410   13.426   72.297   11.728   93.463   10.600 -21.16625 15.80865 
1 1 1  -18   19   26 o   90.225   6.7384   54.504   7.8357   49.682   9.5252   64.598   13.781   84.637   8.3048   95.814   10.614 -11.17648 13.47683 
1 1 1  -18   19   27 o   34.842   9.5557   6.1662   6.4752   8.2930   8.2198   2.6879   10.512   36.310   13.078   33.374   13.936 2.935268 19.11130 
1 1 1  -18   19   28 o  116.496   6.1153   88.142   9.0290   77.928   10.748  112.628   16.642  106.184   7.4697  126.809   9.6845 -20.62486 12.23050 
1 1 1  -18   19   29 o   82.575   7.1769   45.986   7.6389   41.943   9.2897   54.428   13.424   77.568   8.8376   87.583   11.311 -10.01492 14.35385 
1 1 1  -18   19   30 o   35.315   9.7650   5.8392   6.5422   4.4061   8.1473   8.4406   10.977   31.810   12.641   38.821   14.887 -7.011499 19.53002 
1 1 1  -18   19   31 o   59.026   11.228   25.476   8.6529   25.476   8.6529   0.0000   0.0000   59.026   11.228  ?   ?       ?      ? 
1 1 1  -18   19   32 o   34.659   8.3261   4.1444   6.3813   16.218   8.0807 -15.8607   10.402   46.651   12.521   22.667   10.979 23.98400 16.65219 
1 1 1  -18   19   33 o   44.697   9.8868   14.449   6.5143   13.348   8.2874   16.228   10.538   42.636   13.088   46.758   14.822 -4.121590 19.77368 
1 1 1  -18   19   34 o   60.535   8.9733   25.833   6.9946   19.976   8.8061   35.843   11.513   51.584   12.686   69.486   12.694 -17.90237 17.94651 
1 1 1  -18   19   35 o   58.581   9.2258   25.257   6.9183   23.659   8.6356   28.120   11.560   56.509   11.664   60.653   14.298 -4.143745 18.45164 
1 1 1  -18   19   36 o   58.510   9.3675   25.466   7.0306   24.325   8.7732   27.515   11.754   57.248   11.704   59.772   14.629 -2.524151 18.73492 
1 1 1  -18   19   37 o   58.076   9.4010   25.875   7.0280   26.797   8.7681   24.219   11.754   60.331   11.135   55.820   15.150 4.511127 18.80209 
1 1 1  -18   19   38 o   71.165   8.0035   34.287   7.2884   27.593   8.9443   47.516   12.574   61.154   11.206   81.176   11.430 -20.02151 16.00695 
1 1 1  -18   19   39 o   47.994   10.021   16.510   6.7993   12.969   8.4814   22.878   11.375   41.850   13.300   54.137   14.992 -12.28781 20.04117 
1 1 1  -18   19   40 o   73.115   7.6333   35.621   7.2633   28.428   8.8933   50.031   12.587   62.994   10.418   83.237   11.159 -20.24302 15.26651 
1 1 1  -18   19   41 o   96.831   7.4300   64.519   9.5012   48.475   12.202   89.230   15.143   81.920   10.992  111.742   10.000 -29.82239 14.85994 
1 1 1  -18   19   42 o   80.497   8.0468   46.619   8.7100   43.249   11.488   51.176   13.359   77.308   10.965   83.685   11.780 -6.377808 16.09352 
1 1 1  -18   19   43 o   41.525   9.4989   13.211   6.3550   16.655   7.9161   6.9680   10.658   46.695   12.328   36.355   14.454 10.34010 18.99786 
1 1 1  -18   19   44 o   37.031   8.7017   8.8477   6.2311   16.837   7.8102  -5.1433   10.335   46.929   12.177   27.133   12.434 19.79506 17.40335 
1 1 1  -18   19   45 o   32.980   9.2475   3.8783   6.7494   10.766   9.0702  -4.6683   10.103   38.940   13.768   27.020   12.350 11.91934 18.49492 
1 1 1  -18   19   46 o   33.498   9.7079   4.6928   6.9387   4.0398   9.0441   5.6272   10.818   31.863   13.079   35.132   14.349 -3.269732 19.41583 
1 1 1  -18   19   47 o   66.594   16.675   36.721   15.014   36.721   15.014   0.0000   0.0000   66.594   16.675  ?   ?       ?      ? 
1 1 1  -18   19   48 o   51.071   17.646   21.403   14.849   21.403   14.849   0.0000   0.0000   51.071   17.646  ?   ?       ?      ? 
1 1 1  -18   19   49 o   40.056   10.537   11.253   7.6784   13.131   9.9243   8.4515   12.120   41.734   14.425   38.379   15.363 3.354408 21.07377 
1 1 1  -18   19   50 o   64.994   9.3593   30.274   8.1541   16.410   10.349   52.973   13.242   45.523   14.716   84.466   11.569 -38.94267 18.71860 
1 1 1  -18   19   51 o   68.769   9.3196   33.896   8.3615   19.826   10.554   57.613   13.703   49.497   14.680   88.041   11.485 -38.54443 18.63922 
1 1 1  -18   19   52 o   68.655   9.2674   34.882   8.3174   27.383   10.594   46.933   13.430   58.662   13.592   78.648   12.601 -19.98632 18.53470 
1 1 1  -18   19   53 o   31.776   9.3756   2.2518   7.2319   8.7291   9.5494  -6.4592   11.074   36.464   13.909   27.087   12.576 9.376890 18.75120 
1 1 1  -18   19   54 o   38.217   10.001   7.2814   7.3803  -0.7930   9.5764   19.092   11.582   28.326   12.556   48.107   15.569 -19.78092 20.00180 
1 1 1  -18   19   55 o   43.065   10.622   13.972   7.6923   9.7371   10.235   19.468   11.660   37.753   14.400   48.376   15.618 -10.62305 21.24379 
1 1 1  -18   19   56 o   29.417   13.169  -1.3325   10.802   0.0000   0.0000  -1.3325   10.802  ?   ?    29.417   13.169      ?      ? 
1 1 1  -18   19   57 o   32.618   13.935   3.3597   10.913   0.0000   0.0000   3.3597   10.913  ?   ?    32.618   13.935      ?      ? 
1 1 1  -18   19   58 f   54.928   16.206   26.364   12.890   0.0000   0.0000   26.364   12.890  ?   ?    54.928   16.206      ?      ? 
1 1 1  -18   19   59 o   41.130   15.592   13.087   11.954   0.0000   0.0000   13.087   11.954  ?   ?    41.130   15.592      ?      ? 
1 1 1  -18   19   60 o   43.792   15.928   16.081   12.236   0.0000   0.0000   16.081   12.236  ?   ?    43.792   15.928      ?      ? 
1 1 1  -18   20    1 o   89.049   7.1342   56.355   8.5520   52.936   12.577   59.295   11.663   86.269   10.759   91.830   9.3721 -5.561279 14.26832 
1 1 1  -18   20    2 o   46.030   9.0818   16.512   6.2014   21.392   7.9471   8.9131   9.9164   53.866   11.250   38.194   14.260 15.67202 18.16361 
1 1 1  -18   20    3 o   61.522   8.2269   27.188   6.5226   23.847   8.4251   32.185   10.305   56.932   11.319   66.111   11.942 -9.178738 16.45383 
1 1 1  -18   20    4 o   42.422   9.4497   13.011   5.9806   12.439   7.7258   13.865   9.4473   41.241   12.633   43.603   14.056 -2.362694 18.89936 
1 1 1  -18   20    5 o   40.385   8.6041   7.6737   5.9278  -1.5803   7.4931   23.153   9.6911   25.278   11.161   55.491   13.098 -30.21335 17.20813 
1 1 1  -18   20    6 o   79.206   8.9249   43.911   9.5795   43.911   9.5795   0.0000   0.0000   79.206   8.9249  ?   ?       ?      ? 
1 1 1  -18   20    7 o   72.444   9.3596   36.847   9.1884   36.847   9.1884   0.0000   0.0000   72.444   9.3596  ?   ?       ?      ? 
1 1 1  -18   20    8 o   42.047   10.173   12.214   7.5534   17.928   9.5152   2.4778   12.420   48.799   13.782   35.294   14.966 13.50414 20.34560 
1 1 1  -18   20    9 o   53.305   9.4872   19.701   6.1608   17.802   7.1107   25.418   12.338   49.171   10.952   57.440   15.494 -8.268478 18.97439 
1 1 1  -18   20   10 o   43.884   9.6864   14.065   5.9774   14.490   6.9616   12.873   11.661   44.238   11.505   43.530   15.587 0.7076225 19.37281 
1 1 1  -18   20   11 o   62.600   8.7730   26.433   6.4662   23.969   7.4432   34.015   13.056   58.419   9.4020   66.782   14.814 -8.362236 17.54595 
1 1 1  -18   20   12 o   60.895   8.9527   23.709   6.3884   19.480   7.3138   37.318   13.121   51.514   10.821   70.276   14.266 -18.76199 17.90540 
1 1 1  -18   20   13 o   29.519   8.8659   1.6336   5.6207   1.9663   6.5661   0.7215   10.873   26.909   11.106   32.129   13.823 -5.219814 17.73186 
1 1 1  -18   20   14 o   28.602   8.6702  -2.2867   5.5321  -5.6746   6.4811   6.8076   10.619   20.405   9.5222   36.800   14.492 -16.39537 17.34040 
1 1 1  -18   20   15 o   45.848   9.9624   14.005   6.1694   11.808   7.1780   20.217   12.069   40.199   12.149   51.498   15.793 -11.29919 19.92489 
1 1 1  -18   20   16 o   37.559   9.0627   9.7016   6.0491   14.265   7.3005  -0.2953   10.805   43.825   11.959   31.292   13.620 12.53315 18.12542 
1 1 1  -18   20   17 o  101.653   6.4604   72.224   8.0051   71.837   9.4519   73.208   15.055  101.946   6.8418  101.360   10.961 0.5858231 12.92078 
1 1 1  -18   20   18 o   40.498   9.3084   12.199   6.1001   15.586   7.3577   4.7527   10.910   45.749   11.793   35.248   14.405 10.50027 18.61683 
1 1 1  -18   20   19 o  125.695   6.0617  107.738   9.3507  104.077   11.012  117.199   17.705  122.759   6.6195  128.631   10.157 -5.871315 12.12349 
1 1 1  -18   20   20 o  132.181   6.5428  117.519   11.428   99.383   14.348  148.996   18.902  119.027   8.8952  145.334   9.5973 -26.30668 13.08560 
1 1 1  -18   20   21 o   48.600   9.6284   19.093   6.8277   23.346   8.3006   10.196   12.006   56.231   11.285   40.970   15.603 15.26143 19.25686 
1 1 1  -18   20   22 o   77.017   7.6883   42.086   7.4544   41.593   9.0073   43.159   13.280   77.041   8.6276   76.993   12.728 0.4765320E-01 15.37668 
1 1 1  -18   20   23 o   44.900   10.050   13.909   6.5793   11.129   8.0541   19.484   11.406   39.418   12.996   50.382   15.334 -10.96432 20.10073 
1 1 1  -18   20   24 o  116.764   6.1901   95.428   8.9832   94.946   10.752   96.541   16.347  117.102   6.7755  116.425   10.361 0.6768799 12.38014 
1 1 1  -18   20   25 o   70.621   8.0111   31.852   7.0454   22.952   8.4132   52.744   12.891   55.539   11.555   85.702   11.100 -30.16278 16.02216 
1 1 1  -18   20   26 f   67.065   8.4628   32.071   7.0069   30.268   8.4319   36.096   12.596   65.385   9.5162   68.746   13.997 -3.360931 16.92555 
1 1 1  -18   20   27 o   26.617   11.390   0.5637   7.3113   0.5637   7.3113   0.0000   0.0000   26.617   11.390  ?   ?       ?      ? 
1 1 1  -18   20   28 o   54.984   9.0603   26.494   6.8759   33.585   8.2300   10.103   12.512   69.035   8.7973   40.933   15.842 28.10162 18.12059 
1 1 1  -18   20   29 o   82.292   7.3110   48.852   7.5167   49.530   9.0902   47.387   13.366   84.093   7.9768   80.490   12.254 3.603783 14.62193 
1 1 1  -18   20   30 o   79.017   7.2929   43.518   7.3781   41.109   8.9656   48.574   12.987   76.354   8.6648   81.679   11.733 -5.324265 14.58577 
1 1 1  -18   20   31 o   28.198   8.4992   0.4603   5.9603   4.6181   7.4491  -6.9385   9.9369   30.747   12.128   25.650   11.910 5.097031 16.99834 
1 1 1  -18   20   32 o   31.639   9.3492   3.0410   6.6255   3.7976   8.5586   1.9095   10.467   31.251   12.764   32.027   13.664 -0.7753544 18.69834 
1 1 1  -18   20   33 o   55.985   9.9903   24.055   7.4770   21.715   9.6701   27.532   11.791   52.924   13.454   59.046   14.772 -6.122292 19.98063 
1 1 1  -18   20   34 o   36.546   9.7175   7.7425   6.9530   12.979   9.2578   0.9663   10.531   41.763   13.941   31.330   13.541 10.43263 19.43500 
1 1 1  -18   20   35 o   55.369   9.7876   23.124   7.2903   18.227   9.4366   30.374   11.482   48.357   13.749   62.381   13.934 -14.02378 19.57516 
1 1 1  -18   20   36 o   76.530   8.0624   42.716   8.1948   41.991   10.572   43.808   12.971   76.280   10.227   76.781   12.467 -0.5014114 16.12477 
1 1 1  -18   20   37 o   31.942   9.3603   2.6096   6.9825   7.9293   9.3993  -3.9414   10.431   35.999   13.783   27.886   12.668 8.112738 18.72053 
1 1 1  -18   20   38 o   26.513   8.7430  -7.2970   7.5875 -10.4442   12.199  -5.3111   9.6900   27.049   12.761   25.978   11.954 1.070297 17.48590 
1 1 1  -18   20   39 o   49.839   9.2500   16.152   7.3320   2.9407   9.4619   36.008   11.600   31.336   13.163   68.342   13.000 -37.00593 18.50009 
1 1 1  -18   20   40 o   27.923   8.8248  -2.1326   6.7770  -3.6382   9.0148  -0.1758   10.277   25.885   11.766   29.961   13.155 -4.075880 17.64965 
1 1 1  -18   20   41 o   28.512   8.9155  -1.1485   6.7682  -2.9467   9.1239   1.0518   10.093   26.465   11.953   30.559   13.232 -4.093754 17.83106 
1 1 1  -18   20   42 f   32.506   9.4718   4.3169   6.7290   3.5623   9.1986   5.1856   9.8692   31.432   13.073   33.579   13.709 -2.147594 18.94350 
1 1 1  -18   20   43 o   34.921   9.8739   6.6067   7.0606   7.1392   9.5257   5.9574   10.518   35.016   13.746   34.826   14.178 0.1900749 19.74784 
1 1 1  -18   20   44 f   68.803   12.333   36.409   11.077   36.409   11.077   0.0000   0.0000   68.803   12.333  ?   ?       ?      ? 
1 1 1  -18   20   45 o   43.415   10.186   12.484   7.6407   3.3666   10.107   24.642   11.672   32.161   13.561   54.669   15.203 -22.50842 20.37284 
1 1 1  -18   20   46 o   38.700   10.221   9.3883   7.4129   4.1124   9.9206   16.058   11.155   32.515   13.555   44.885   15.301 -12.36971 20.44164 
1 1 1  -18   20   47 o   33.666   9.8548   4.9881   7.3192   4.6588   9.9280   5.3801   10.833   32.928   13.629   34.404   14.238 -1.476070 19.70963 
1 1 1  -18   20   48 f   95.470   9.2227   70.558   11.761   68.043   17.911   72.465   15.593   92.862   14.233   98.078   11.732 -5.216194 18.44532 
1 1 1  -18   20   49 o   66.730   11.639   37.145   10.293   43.991   16.427   32.719   13.208   71.144   17.223   62.316   15.660 8.828167 23.27796 
1 1 1  -18   20   50 o   28.591   9.2747  -6.0822   8.5699 -17.9392   13.707   1.5282   10.981   25.732   12.496   31.450   13.709 -5.717733 18.54936 
1 1 1  -18   20   51 o   40.884   11.174   9.5277   8.8322   21.378   14.616   2.7107   11.085   49.475   17.479   32.292   13.925 17.18313 22.34728 
1 1 1  -18   20   52 o   56.463   15.974   27.711   12.771   0.0000   0.0000   27.711   12.771  ?   ?    56.463   15.974      ?      ? 
1 1 1  -18   20   53 o   55.722   15.832   27.105   12.517   0.0000   0.0000   27.105   12.517  ?   ?    55.722   15.832      ?      ? 
1 1 1  -18   20   54 o   65.214   15.248   36.454   13.235   0.0000   0.0000   36.454   13.235  ?   ?    65.214   15.248      ?      ? 
1 1 1  -18   20   55 o   44.688   15.851   17.203   12.031   0.0000   0.0000   17.203   12.031  ?   ?    44.688   15.851      ?      ? 
1 1 1  -18   21    1 o   58.650   13.407   26.663   10.423   26.663   10.423   0.0000   0.0000   58.650   13.407  ?   ?       ?      ? 
1 1 1  -18   21    2 o   40.091   14.160   11.463   9.5914   11.463   9.5914   0.0000   0.0000   40.091   14.160  ?   ?       ?      ? 
1 1 1  -18   21    3 o   30.458   9.0001   2.5603   6.2653   4.6172   8.4841   0.0931   9.2918   31.878   12.821   29.039   12.635 2.839867 18.00021 
1 1 1  -18   21    4 o   54.829   9.5936   23.403   7.2006   17.815   10.097   29.185   10.272   47.806   14.400   61.852   12.680 -14.04650 19.18719 
1 1 1  -18   21    5 o   32.011   8.8882   0.2971   6.4939  -9.7453   8.7026   12.915   9.7548   22.155   10.548   41.867   14.309 -19.71121 17.77639 
1 1 1  -18   21    6 o   49.953   10.119   19.494   7.2000   20.717   10.436   18.383   9.9459   51.355   14.410   48.551   14.210 2.804287 20.23788 
1 1 1  -18   21    7 o   60.244   10.441   27.241   8.3896   20.770   10.694   37.598   13.529   51.359   14.648   69.129   14.882 -17.77020 20.88169 
1 1 1  -18   21    8 o   77.967   7.8876   41.487   7.7286   37.321   9.1611   51.773   14.394   72.390   9.3388   83.545   12.714 -11.15546 15.77530 
1 1 1  -18   21    9 o   35.013   9.7680   4.9327   6.3110   2.1840   7.4497   11.919   11.877   28.184   11.747   41.843   15.610 -13.65825 19.53607 
1 1 1  -18   21   10 o   55.557   9.8263   20.408   7.0156   14.034   8.2958   36.411   13.145   42.979   13.076   68.135   14.671 -25.15564 19.65268 
1 1 1  -18   21   11 o   32.995   9.4952   4.8873   6.4310   6.5686   7.6412   0.8044   11.908   33.085   12.484   32.904   14.310 0.1801186 18.99043 
1 1 1  -18   21   12 o   66.459   8.7819   28.346   7.2693   20.158   8.5793   49.186   13.687   51.315   12.462   81.603   12.377 -30.28846 17.56376 
1 1 1  -18   21   13 o   27.744   8.2339  -1.8444   6.2990   7.1503   7.5605 -22.2573   11.390   33.694   12.477   21.793   10.748 11.90028 16.46784 
1 1 1  -18   21   14 o   60.963   9.7144   27.255   7.4144   24.145   8.9412   34.102   13.266   56.417   12.061   65.510   15.232 -9.092739 19.42887 
1 1 1  -18   21   15 o   46.387   9.8439   13.701   8.5601  -5.5014   12.441   30.962   11.796   29.847   13.665   62.928   14.173 -33.08064 19.68779 
1 1 1  -18   21   16 o   58.180   11.413   27.670   9.3629   24.435   14.021   30.273   12.578   54.717   17.062   61.642   15.162 -6.925037 22.82595 
1 1 1  -18   21   17 o   32.806   9.5283   3.6408   6.4680   1.7244   7.9237   7.4675   11.197   28.410   11.995   37.201   14.808 -8.791451 19.05661 
1 1 1  -18   21   18 o   51.415   10.272   19.974   7.1850   17.685   8.8462   24.412   12.317   47.782   13.217   55.049   15.727 -7.266621 20.54322 
1 1 1  -18   21   19 o   43.449   9.7174   14.823   6.9068   19.826   8.6348   5.9353   11.508   50.745   12.612   36.153   14.787 14.59164 19.43487 
1 1 1  -18   21   20 o   46.502   10.361   16.754   7.1108   16.865   8.8126   16.545   12.038   46.646   13.295   46.357   15.895 0.2889214 20.72233 
1 1 1  -18   21   21 o   47.185   10.222   18.082   7.4703   22.302   9.3082   10.445   12.522   53.671   12.947   40.700   15.821 12.97072 20.44364 
1 1 1  -18   21   22 o   61.152   9.6687   32.838   8.0519   42.149   9.9723   15.398   13.648   76.674   9.5976   45.630   16.788 31.04361 19.33746 
1 1 1  -18   21   23 o   55.874   13.040   24.220   9.6936   24.220   9.6936   0.0000   0.0000   55.874   13.040  ?   ?       ?      ? 
1 1 1  -18   21   24 o   59.083   10.400   26.816   7.9011   24.687   9.6008   31.285   13.908   56.493   12.833   61.673   16.369 -5.179405 20.79994 
1 1 1  -18   21   25 o   38.480   10.068   10.116   6.9875   12.086   8.8103   6.7744   11.472   40.312   13.599   36.648   14.849 3.663670 20.13527 
1 1 1  -18   21   26 o   51.774   10.116   21.955   7.3783   24.733   9.3054   17.252   12.109   56.674   12.456   46.873   15.942 9.800743 20.23149 
1 1 1  -18   21   27 o   40.620   10.285   11.907   7.0503   12.084   8.8994   11.609   11.553   40.278   13.668   40.962   15.373 -0.6834679 20.57008 
1 1 1  -18   21   28 o   35.052   9.7881   6.5082   6.7557   4.7657   8.7027   9.1504   10.717   32.051   12.951   38.054   14.680 -6.003471 19.57622 
1 1 1  -18   21   29 o   47.241   10.060   16.598   7.0149   11.560   9.0395   24.225   11.123   39.632   13.763   54.850   14.676 -15.21837 20.12002 
1 1 1  -18   21   30 o   24.627   8.0529  -7.0030   6.3873 -11.8482   8.5898  -1.0105   9.5528   20.881   10.081   28.374   12.561 -7.492762 16.10579 
1 1 1  -18   21   31 o   65.228   9.2890   32.816   7.8270   31.145   10.182   35.229   12.237   63.715   12.238   66.741   13.978 -3.026344 18.57798 
1 1 1  -18   21   32 o   31.973   9.3538   4.0051   6.5936   3.6507   9.0014   4.4154   9.6857   31.258   12.961   32.688   13.490 -1.430374 18.70757 
1 1 1  -18   21   33 o   39.962   10.042   10.837   6.9239   6.5082   9.0974   16.797   10.674   34.007   13.407   45.916   14.953 -11.90821 20.08326 
1 1 1  -18   21   34 o   48.096   11.529   18.719   8.8589   19.430   13.870   18.229   11.514   48.728   17.041   47.463   15.533 1.264671 23.05842 
1 1 1  -18   21   35 o   57.539   9.9478   26.057   7.6419   22.289   10.022   31.292   11.813   52.704   13.850   62.374   14.283 -9.669647 19.89558 
1 1 1  -18   21   36 o   62.415   9.5471   30.483   7.7281   28.607   9.9941   33.272   12.188   60.575   12.586   64.254   14.359 -3.678917 19.09412 
1 1 1  -18   21   37 o   48.182   11.495   18.705   8.7574   21.923   13.903   16.588   11.275   50.900   17.084   45.464   15.384 5.436104 22.99024 
1 1 1  -18   21   38 o   78.841   9.7094   49.414   9.9469   43.965   14.906   53.789   13.355   72.997   15.545   84.684   11.638 -11.68708 19.41888 
1 1 1  -18   21   39 o   71.171   10.726   41.330   9.9802   44.579   15.026   38.766   13.350   73.370   15.594   68.972   14.731 4.398018 21.45131 
1 1 1  -18   21   40 o   65.244   16.810   36.716   14.954   36.716   14.954   0.0000   0.0000   65.244   16.810  ?   ?       ?      ? 
1 1 1  -18   21   41 o   58.650   17.388   30.404   14.809   30.404   14.809   0.0000   0.0000   58.650   17.388  ?   ?       ?      ? 
1 1 1  -18   21   42 o   38.216   10.845   8.9011   8.7948   3.0884   13.797   12.879   11.414   35.209   15.357   41.222   15.317 -6.012665 21.68973 
1 1 1  -18   21   43 o   65.935   10.887   38.874   10.044   24.047   15.756   49.024   13.037   51.775   18.160   80.094   12.011 -28.31894 21.77312 
1 1 1  -18   21   44 o   49.051   11.791   20.770   9.2406   21.129   14.884   20.545   11.787   49.074   17.606   49.028   15.690 0.4573059E-01 23.58297 
1 1 1  -18   21   45 o   54.546   11.749   26.268   9.3526   27.120   14.864   25.709   12.033   54.501   17.638   54.592   15.527 -0.9095001E-01 23.49889 
1 1 1  -18   21   46 o   33.467   10.251   3.1980   8.6671  -2.0278   13.836   6.5727   11.119   31.975   14.551   34.959   14.443 -2.984068 20.50159 
1 1 1  -18   21   47 o   44.525   11.584   14.936   9.2546   25.449   14.855   8.2676   11.831   52.360   17.659   36.689   14.998 15.67097 23.16847 
1 1 1  -18   21   48 o   32.265   10.149   0.1252   8.6970   6.4529   14.080  -3.7782   11.059   36.704   15.759   27.825   12.792 8.879084 20.29744 
1 1 1  -18   21   49 o   26.429   12.254  -4.8388   10.465   0.0000   0.0000  -4.8388   10.465  ?   ?    26.429   12.254      ?      ? 
1 1 1  -18   21   50 o   31.017   13.692   1.6547   11.272   0.0000   0.0000   1.6547   11.272  ?   ?    31.017   13.692      ?      ? 
1 1 1  -18   21   51 o   58.810   16.421   32.141   13.588   0.0000   0.0000   32.141   13.588  ?   ?    58.810   16.421      ?      ? 
1 1 1  -18   21   52 o   37.210   15.172   9.9611   12.068   0.0000   0.0000   9.9611   12.068  ?   ?    37.210   15.172      ?      ? 
1 1 1  -18   21   53 o   32.597   14.211   4.1609   11.805   0.0000   0.0000   4.1609   11.805  ?   ?    32.597   14.211      ?      ? 
1 1 1  -18   21   54 o   43.421   16.070   17.710   12.539   0.0000   0.0000   17.710   12.539  ?   ?    43.421   16.070      ?      ? 
1 1 1  -18   22    1 o   35.452   10.225   6.2908   7.8176   8.9785   9.9353   1.9217   12.668   37.053   14.174   33.851   14.741 3.202370 20.44988 
1 1 1  -18   22    2 o   46.433   10.918   17.547   8.2679   21.243   10.748   12.188   12.940   51.073   14.722   41.793   16.128 9.280243 21.83696 
1 1 1  -18   22    3 f   67.399   10.519   35.605   9.2647   28.837   11.965   45.738   14.641   59.447   14.886   75.350   14.866 -15.90323 21.03782 
1 1 1  -18   22    4 o   31.099   9.5609  -2.1370   7.5706  -8.5341   9.6062   8.3490   12.299   23.986   11.319   38.211   15.412 -14.22484 19.12174 
1 1 1  -18   22    5 o   44.485   11.188   14.746   8.4273   11.292   10.981   19.694   13.145   40.020   14.994   48.950   16.611 -8.930027 22.37691 
1 1 1  -18   22    6 o   68.204   10.604   37.007   9.5108   30.332   12.593   45.871   14.511   60.760   15.303   75.647   14.684 -14.88708 21.20861 
1 1 1  -18   22    7 o   48.455   11.040   19.222   8.5277   24.054   11.500   13.319   12.711   54.165   15.101   42.744   16.108 11.42078 22.07946 
1 1 1  -18   22    8 o   64.959   10.772   34.024   9.2783   29.916   12.339   39.369   14.075   60.479   15.101   69.439   15.364 -8.960773 21.54305 
1 1 1  -18   22    9 o   33.327   10.029   2.4421   7.9200  -1.0835   10.426   7.2516   12.178   29.389   13.061   37.266   15.223 -7.876532 20.05825 
1 1 1  -18   22   10 o   50.501   16.622   21.193   13.177   0.0000   0.0000   21.193   13.177  ?   ?    50.501   16.622      ?      ? 
1 1 1  -18   22   11 o   67.075   15.517   36.934   13.824   0.0000   0.0000   36.934   13.824  ?   ?    67.075   15.517      ?      ? 
1 1 1  -18   22   12 o   43.685   10.421   12.032   8.3695  -0.0104   11.408   26.071   12.317   31.284   13.794   56.087   15.625 -24.80271 20.84238 
1 1 1  -18   22   13 o   38.749   10.557   9.5805   7.8720   6.7004   10.734   12.932   11.579   35.597   14.384   41.902   15.456 -6.304798 21.11345 
1 1 1  -18   22   14 o   35.467   10.214   6.2187   7.7581   4.2132   10.881   8.2922   11.064   33.683   14.130   37.252   14.754 -3.569187 20.42867 
1 1 1  -18   22   15 f   63.327   10.514   32.913   9.0073   41.085   12.720   24.696   12.756   72.353   13.469   54.300   16.147 18.05231 21.02722 
1 1 1  -18   22   16 o   37.489   9.6712   4.3906   7.8085 -10.1964   10.777   20.510   11.329   24.960   11.841   50.017   15.294 -25.05710 19.34231 
1 1 1  -18   22   17 o   39.142   10.765   9.9712   8.1904   8.8076   11.220   11.299   11.984   37.786   14.891   40.498   15.549 -2.712063 21.52980 
1 1 1  -18   22   18 o   43.640   15.392   14.794   11.330   14.794   11.330   0.0000   0.0000   43.640   15.392  ?   ?       ?      ? 
1 1 1  -18   22   19 o   60.081   15.603   29.990   12.816   29.990   12.816   0.0000   0.0000   60.081   15.603  ?   ?       ?      ? 
1 1 1  -18   22   20 o   61.359   11.150   31.244   9.2930   29.448   12.558   33.417   13.817   59.618   15.426   63.101   16.104 -3.482464 22.30035 
1 1 1  -18   22   21 o   48.790   11.253   18.176   9.0532   9.1533   12.142   29.474   13.586   38.637   15.407   58.942   16.406 -20.30461 22.50648 
1 1 1  -18   22   22 o   42.941   10.622   12.330   8.5166   23.703   12.155   1.3620   11.936   53.237   15.746   32.645   14.259 20.59208 21.24310 
1 1 1  -18   22   23 o   39.156   10.752   9.6973   8.3932   4.7197   11.957   14.533   11.785   34.962   14.747   43.350   15.652 -8.387642 21.50498 
1 1 1  -18   22   24 o   51.174   11.019   21.007   8.7416   30.947   12.911   12.592   11.879   60.886   15.582   41.463   15.583 19.42250 22.03702 
1 1 1  -18   22   25 o   39.293   10.706   10.250   8.3058   4.9503   12.484   14.459   11.125   35.544   15.034   43.043   15.245 -7.499023 21.41124 
1 1 1  -18   22   26 o   45.621   11.079   16.877   8.5428   11.405   12.868   21.190   11.423   40.783   15.987   50.459   15.343 -9.676285 22.15810 
1 1 1  -18   22   27 o   84.892   9.5217   56.924   10.546   49.396   15.257   63.812   14.595   77.758   15.023   92.027   11.703 -14.26840 19.04341 
1 1 1  -18   22   28 o   45.977   11.420   17.052   8.7295   19.230   13.451   15.467   11.474   47.936   16.781   44.017   15.493 3.918999 22.83980 
1 1 1  -18   22   29 o   51.552   10.570   22.733   9.2432   5.0992   14.340   35.266   12.090   37.003   15.896   66.101   13.936 -29.09795 21.13972 
1 1 1  -18   22   30 o   39.286   15.126   10.834   11.362   0.0000   0.0000   10.834   11.362  ?   ?    39.286   15.126      ?      ? 
1 1 1  -18   22   31 o   50.837   11.162   22.838   9.5069   9.0080   15.342   31.459   12.113   40.067   16.792   61.606   14.712 -21.53894 22.32480 
1 1 1  -18   22   32 o   45.776   9.6944   15.681   8.7386  -8.8461   13.990   31.372   11.190   29.307   13.777   62.245   13.643 -32.93779 19.38888 
1 1 1  -18   22   33 o   48.161   9.7230   17.602   9.0750  -8.1315   14.072   35.927   11.874   29.643   13.897   66.680   13.602 -37.03692 19.44593 
1 1 1  -18   22   34 o   58.918   11.396   31.340   9.6021   23.712   15.250   36.352   12.360   51.289   17.873   66.547   14.142 -15.25751 22.79116 
1 1 1  -18   22   35 o   39.858   10.936   11.536   8.6251   6.6566   13.670   14.764   11.117   37.038   15.703   42.677   15.226 -5.639469 21.87278 
1 1 1  -18   22   36 o   35.254   15.413   3.6474   13.973   3.6474   13.973   0.0000   0.0000   35.254   15.413  ?   ?       ?      ? 
1 1 1  -18   22   37 o   46.041   17.456   18.257   14.984   18.257   14.984   0.0000   0.0000   46.041   17.456  ?   ?       ?      ? 
1 1 1  -18   22   38 o   38.692   10.544   9.8096   8.9559  -6.3178   15.241   18.315   11.068   31.220   14.580   46.164   15.236 -14.94424 21.08842 
1 1 1  -18   22   39 o   50.435   11.171   23.472   9.5930   9.3967   15.308   32.574   12.310   39.301   16.637   61.568   14.912 -22.26720 22.34225 
1 1 1  -18   22   40 o   50.385   11.971   21.903   9.7940   33.150   15.420   14.297   12.680   58.960   17.803   41.810   16.008 17.15022 23.94223 
1 1 1  -18   22   41 o   67.850   11.895   41.812   10.764   44.564   16.761   39.880   14.043   68.559   17.862   67.141   15.713 1.417419 23.78930 
1 1 1  -18   22   42 o   78.752   11.105   54.953   11.451   50.096   17.473   58.610   15.161   72.594   17.880   84.910   13.176 -12.31666 22.21006 
1 1 1  -18   22   43 o   50.631   11.438   24.594   10.085   10.004   15.697   34.851   13.160   39.066   16.703   62.195   15.633 -23.12880 22.87685 
1 1 1  -18   22   44 o   36.332   10.863   5.2372   9.1266   17.487   15.111  -1.7976   11.451   43.801   17.275   28.862   13.174 14.93908 21.72559 
1 1 1  -18   22   45 o   31.042   13.798   1.8787   11.640   0.0000   0.0000   1.8787   11.640  ?   ?    31.042   13.798      ?      ? 
1 1 1  -18   22   46 o   67.806   15.606   42.122   14.043   0.0000   0.0000   42.122   14.043  ?   ?    67.806   15.606      ?      ? 
1 1 1  -18   22   47 o   29.731   13.459   0.1805   11.648   0.0000   0.0000   0.1805   11.648  ?   ?    29.731   13.459      ?      ? 
1 1 1  -18   22   48 o   21.729   10.668 -15.9277   10.809   0.0000   0.0000 -15.9277   10.809  ?   ?    21.729   10.668      ?      ? 
1 1 1  -18   22   49 o   43.227   16.021   18.402   12.471   0.0000   0.0000   18.402   12.471  ?   ?    43.227   16.021      ?      ? 
1 1 1  -18   22   50 o   33.536   14.433   7.0206   11.863   0.0000   0.0000   7.0206   11.863  ?   ?    33.536   14.433      ?      ? 
1 1 1  -18   23    1 o   42.587   11.261   14.557   8.7635   15.735   11.671   13.035   13.269   43.650   15.598   41.525   16.246 2.124191 22.52165 
1 1 1  -18   23    2 o   35.704   10.324   4.2512   8.2862  -3.7129   10.830   15.495   12.868   27.800   12.735   43.608   16.252 -15.80865 20.64749 
1 1 1  -18   23    3 o   49.629   11.240   21.610   8.9161   26.974   11.942   14.854   13.402   56.077   15.293   43.182   16.476 12.89505 22.47974 
1 1 1  -18   23    4 o   31.358   9.5964   0.1689   7.9201   8.2427   11.213  -7.8708   11.189   36.526   14.721   26.189   12.314 10.33661 19.19287 
1 1 1  -18   23    5 o   51.324   16.181   23.044   12.572   0.0000   0.0000   23.044   12.572  ?   ?    51.324   16.181      ?      ? 
1 1 1  -18   23    6 o   34.442   14.581   5.0354   11.760   0.0000   0.0000   5.0354   11.760  ?   ?    34.442   14.581      ?      ? 
1 1 1  -18   23    7 o   48.344   10.826   19.043   8.5619   9.6148   11.836   29.393   12.401   38.111   15.207   58.578   15.413 -20.46706 21.65234 
1 1 1  -18   23    8 o   28.553   9.1216  -2.1891   7.5544  -0.1979   10.430  -4.3859   10.956   29.465   13.081   27.641   12.717 1.823908 18.24327 
1 1 1  -18   23    9 o   47.885   11.025   19.563   8.2168   18.389   11.588   20.750   11.653   46.587   15.597   49.183   15.586 -2.596325 22.04967 
1 1 1  -18   23   10 o   41.313   10.333   11.806   7.8833   22.008   11.525   2.8363   10.807   50.663   15.413   31.963   13.766 18.69952 20.66523 
1 1 1  -18   23   11 o   63.204   10.543   33.610   8.8819   33.365   12.711   33.843   12.416   62.792   15.119   63.616   14.698 -0.8236732 21.08590 
1 1 1  -18   23   12 o   34.523   10.128   5.2394   7.8839   10.075   11.605   1.0954   10.744   38.372   15.138   30.675   13.460 7.697231 20.25640 
1 1 1  -18   23   13 o   43.062   15.934   14.937   12.326   14.937   12.326   0.0000   0.0000   43.062   15.934  ?   ?       ?      ? 
1 1 1  -18   23   14 o   17.178   8.6822 -30.0709   9.7877 -30.0709   9.7877   0.0000   0.0000   17.178   8.6822  ?   ?       ?      ? 
1 1 1  -18   23   15 o   40.676   10.794   11.835   8.1940   18.196   12.337   6.8137   10.961   46.223   16.077   35.128   14.407 11.09480 21.58785 
1 1 1  -18   23   16 o   44.143   10.718   15.890   8.2684   8.0176   12.225   22.528   11.225   36.978   15.196   51.308   15.120 -14.32965 21.43641 
1 1 1  -18   23   17 o   38.979   10.690   10.906   8.0131   11.808   12.188   10.220   10.634   40.063   15.599   37.896   14.622 2.167389 21.38062 
1 1 1  -18   23   18 o   37.983   10.599   9.9247   7.9935   9.4776   12.358   10.246   10.482   38.153   15.428   37.813   14.537 0.3396378 21.19717 
1 1 1  -18   23   19 o   42.011   11.102   14.068   8.4526   13.977   12.999   14.133   11.126   42.153   16.192   41.869   15.195 0.2842293 22.20494 
1 1 1  -18   23   20 o   38.158   10.736   9.9829   8.3302   8.1236   12.784   11.355   10.982   37.282   15.451   39.034   14.909 -1.752056 21.47147 
1 1 1  -18   23   21 o   35.531   10.443   6.0034   8.2627   11.322   12.782   2.1860   10.829   39.728   15.819   31.334   13.637 8.394487 20.88543 
1 1 1  -18   23   22 o   31.225   9.4932   0.2371   7.9799 -11.6801   12.166   9.2361   10.572   25.699   12.299   36.752   14.464 -11.05256 18.98645 
1 1 1  -18   23   23 o   32.454   9.9994   1.0709   8.3372   8.6516   12.766  -4.5672   11.009   37.502   15.483   27.406   12.658 10.09558 19.99887 
1 1 1  -18   23   24 o   80.545   10.217   53.905   10.803   52.725   16.197   54.850   14.499   77.968   15.869   83.122   12.872 -5.153244 20.43319 
1 1 1  -18   23   25 o   43.954   15.551   16.492   11.574   0.0000   0.0000   16.492   11.574  ?   ?    43.954   15.551      ?      ? 
1 1 1  -18   23   26 o   48.493   15.734   20.878   11.822   0.0000   0.0000   20.878   11.822  ?   ?    48.493   15.734      ?      ? 
1 1 1  -18   23   27 o   29.100   9.4811  -3.5577   8.2096  -0.7684   13.904  -5.0505   10.172   32.264   14.645   25.935   12.045 6.328753 18.96223 
1 1 1  -18   23   28 o   56.968   11.761   29.554   9.4634   32.087   15.342   27.999   12.023   57.720   17.823   56.217   15.350 1.503822 23.52231 
1 1 1  -18   23   29 o   35.206   10.607   6.3134   8.5905   6.3945   14.636   6.2708   10.611   36.633   15.898   33.779   14.044 2.854103 21.21314 
1 1 1  -18   23   30 o   61.078   10.241   36.205   9.7932   12.454   15.634   51.541   12.563   40.821   17.016   81.336   11.398 -40.51511 20.48124 
1 1 1  -18   23   31 o   41.684   11.495   13.393   9.0010   20.642   15.345   9.5904   11.114   46.677   17.673   36.692   14.703 9.985134 22.98910 
1 1 1  -18   23   32 o   37.201   16.091   7.7128   14.894   7.7128   14.894   0.0000   0.0000   37.201   16.091  ?   ?       ?      ? 
1 1 1  -18   23   33 o   28.482   13.548  -9.1440   14.292  -9.1440   14.292   0.0000   0.0000   28.482   13.548  ?   ?       ?      ? 
1 1 1  -18   23   34 o   60.684   11.755   35.867   10.043   31.264   16.011   38.852   12.895   54.967   18.334   66.401   14.717 -11.43403 23.50967 
1 1 1  -18   23   35 o   63.077   11.537   34.892   10.217   56.980   16.680   21.631   12.925   78.749   16.172   47.405   16.458 31.34458 23.07364 
1 1 1  -18   23   36 o   32.688   9.9440   3.2587   8.7990 -12.0553   14.900   11.459   10.903   27.758   13.369   37.619   14.724 -9.860800 19.88794 
1 1 1  -18   23   37 o   26.843   8.7535  -6.1319   8.1814 -26.3073   14.216   3.8596   10.004   23.050   11.478   30.636   13.220 -7.586031 17.50693 
1 1 1  -18   23   38 o   33.149   10.414   4.2128   8.9257   5.4453   15.515   3.6030   10.912   35.208   15.770   31.089   13.606 4.118626 20.82762 
1 1 1  -18   23   39 o   51.522   11.468   28.395   10.270   13.088   16.759   37.599   12.996   39.583   17.095   63.461   15.292 -23.87846 22.93679 
1 1 1  -18   23   40 o   32.735   10.287   4.4268   9.1431  -1.7860   15.905   7.4929   11.174   31.744   14.848   33.726   14.242 -1.981817 20.57439 
1 1 1  -18   23   41 o   61.722   15.549   36.706   12.999   0.0000   0.0000   36.706   12.999  ?   ?    61.722   15.549      ?      ? 
1 1 1  -18   23   42 o   53.395   16.102   29.102   12.620   0.0000   0.0000   29.102   12.620  ?   ?    53.395   16.102      ?      ? 
1 1 1  -18   23   43 o   58.129   16.363   34.886   13.435   0.0000   0.0000   34.886   13.435  ?   ?    58.129   16.363      ?      ? 
1 1 1  -18   24    8 o   33.677   14.684   5.0068   12.606   5.0068   12.606   0.0000   0.0000   33.677   14.684  ?   ?       ?      ? 
1 1 1  -18   24    9 o   30.560   13.756   0.7048   11.966   0.7048   11.966   0.0000   0.0000   30.560   13.756  ?   ?       ?      ? 
1 1 1  -18   24   10 o   31.211   9.7819   2.3004   8.1592   3.1249   12.311   1.6546   10.896   32.286   14.278   30.137   13.375 2.148474 19.56372 
1 1 1  -18   24   11 o   39.732   10.603   11.003   8.3832   23.251   12.750   1.6755   11.127   49.104   16.359   30.360   13.493 18.74454 21.20567 
1 1 1  -18   24   12 o   45.780   11.422   19.815   8.7880   20.588   13.224   19.204   11.761   46.206   16.593   45.354   15.702 0.8520584 22.84468 
1 1 1  -18   24   13 o   30.372   9.5927  -1.3896   8.1165   8.9610   12.763  -8.4178   10.517   36.405   15.289   24.339   11.589 12.06656 19.18532 
1 1 1  -18   24   14 o   64.139   11.129   39.524   9.8852   29.202   14.872   47.693   13.231   53.451   17.662   74.827   13.547 -21.37557 22.25895 
1 1 1  -18   24   15 o   38.528   10.946   12.029   8.7793   9.4980   13.726   13.781   11.421   37.150   15.742   39.906   15.214 -2.755775 21.89205 
1 1 1  -18   24   16 o   32.800   10.031   4.7597   8.3136   0.1817   12.917   7.9972   10.862   31.003   14.089   34.597   14.283 -3.594124 20.06269 
1 1 1  -18   24   17 o   41.439   11.244   14.547   8.9120   21.761   13.708   9.2658   11.729   46.873   16.888   36.006   14.851 10.86756 22.48856 
1 1 1  -18   24   18 o   34.251   9.6534   4.7908   8.2778 -14.4283   13.239   17.127   10.607   25.230   12.259   43.272   14.916 -18.04280 19.30670 
1 1 1  -18   24   19 o   38.757   11.064   11.923   8.8543   16.469   13.876   8.8004   11.500   42.085   16.568   35.429   14.667 6.655979 22.12745 
1 1 1  -18   24   20 o   48.758   11.746   24.295   9.5849   18.990   15.747   27.417   12.081   43.826   17.523   53.689   15.646 -9.863064 23.49142 
1 1 1  -18   24   21 o   38.034   14.855   12.195   11.079   0.0000   0.0000   12.195   11.079  ?   ?    38.034   14.855      ?      ? 
1 1 1  -18   24   22 f   37.246   14.912   11.312   11.420   0.0000   0.0000   11.312   11.420  ?   ?    37.246   14.912      ?      ? 
1 1 1  -18   24   23 o   29.720   9.5151   0.2412   8.3489  -6.0840   13.593   4.0730   10.580   28.383   13.415   31.058   13.498 -2.675222 19.03020 
1 1 1  -18   24   24 o   39.806   11.013   11.444   8.8005   25.050   14.351   3.2445   11.141   48.735   17.309   30.877   13.622 17.85848 22.02633 
1 1 1  -18   24   25 o   33.138   10.317   4.3351   8.6710   10.502   14.366   0.8008   10.875   37.223   15.948   29.053   13.092 8.170286 20.63361 
1 1 1  -18   24   26 o   49.674   11.341   26.072   9.6371   14.542   15.363   33.552   12.375   39.892   16.765   59.456   15.277 -19.56395 22.68145 
1 1 1  -18   24   27 o   36.062   10.176   9.4733   8.6817  -6.5534   14.754   17.962   10.738   28.908   13.754   43.215   15.001 -14.30763 20.35211 
1 1 1  -18   24   28 o   26.860   12.887  -9.0041   13.546  -9.0041   13.546   0.0000   0.0000   26.860   12.887  ?   ?       ?      ? 
1 1 1  -18   24   29 o   20.087   10.129 -31.8038   12.868 -31.8038   12.868   0.0000   0.0000   20.087   10.129  ?   ?       ?      ? 
1 1 1  -18   24   30 o   35.008   10.585   7.3896   8.5647   16.858   14.562   2.3823   10.590   40.680   16.636   29.336   13.092 11.34423 21.16943 
1 1 1  -17    0    1 o  790.323   12.993  4238.64  139.071   0.0000   0.0000  4238.64  139.071  790.323   12.993  790.323   12.993 -0.000000 0.000000 
1 1 1  -17    0    2 o  1510.34   23.608 15504.46  482.928   0.0000   0.0000 15504.46  482.928  1510.34   23.608  1510.34   23.608 -0.000000 0.000000 
1 1 1  -17    0    3 o  1222.13   19.311 10143.98  319.636   0.0000   0.0000 10143.98  319.636  1222.13   19.311  1222.13   19.311 -0.000000 0.000000 
1 1 1  -17    0    5 o  1525.83   23.922 15876.71  494.093 15911.52  699.584 15842.07  697.926  1527.50   33.834  1524.16   33.828 -0.000000 0.000000 
1 1 1  -17    0    6 o  1511.49   23.705 15570.71  484.857 15254.31  675.889 15906.16  695.932  1495.69   33.384  1527.28   33.662 -0.000000 0.000000 
1 1 1  -17    0    7 o  569.576   9.9164  2204.02   76.435  2200.69  107.937  2207.37  108.255  569.144   14.014  570.007   14.034 -0.000000 0.000000 
1 1 1  -17    0    8 o  529.991   9.3970  1907.54   67.381  1950.16   96.423  1866.86   94.199  535.784   13.299  524.197   13.280 -0.000000 0.000000 
1 1 1  -17    0    9 o  542.634   9.5714  1997.70   70.235  2081.50  101.591  1920.98   97.207  553.537   13.562  531.731   13.510 -0.000000 0.000000 
1 1 1  -17    0   10 o  583.282   10.117  2311.27   79.856  2290.47  112.383  2332.50  113.493  580.627   14.303  585.938   14.313 -0.000000 0.000000 
1 1 1  -17    0   11 f  1470.36   23.089 14732.58  459.446 15022.97  658.459 14457.06  641.386  1484.46   32.768  1456.26   32.538 -0.000000 0.000000 
1 1 1  -17    0   12 o  1586.24   24.857 17165.24  533.726 17083.69  752.366 17247.86  757.262  1582.46   35.124  1590.03   35.183 -0.000000 0.000000 
1 1 1  -17    0   13 o  300.562   6.8235  611.468   27.659  670.912   40.618  560.070   37.770  314.173   9.5605  286.951   9.7384 -0.000000 0.000000 
1 1 1  -17    0   14 o  1237.67   19.587 10427.83  328.125 10320.95  460.989 10537.58  467.149  1231.24   27.661  1244.09   27.740 -0.000000 0.000000 
1 1 1  -17    0   15 o  1515.41   23.784 15655.86  487.829 15465.49  684.290 15852.59  695.640  1506.05   33.566  1524.77   33.704 -0.000000 0.000000 
1 1 1  -17    0   16 o  802.273   13.192  4373.98  143.234  4424.27  204.225  4325.29  200.943  806.812   18.702  797.734   18.611 -0.000000 0.000000 
1 1 1  -17    0   17 o  421.749   8.1092  1208.29   46.263  1223.44   66.096  1193.74   64.775  424.341   11.513  419.157   11.423 -0.000000 0.000000 
1 1 1  -17    0   18 o  618.326   10.636  2597.60   88.998  2586.35  125.825  2608.85  125.899  616.982   15.069  619.671   15.013 -0.000000 0.000000 
1 1 1  -17    0   19 o  288.622   9.5587  566.503   37.293   0.0000   0.0000  566.503   37.293  288.622   9.5587  288.622   9.5587 -0.000000 0.000000 
1 1 1  -17    0   21 o  343.263   10.242  800.853   47.548   0.0000   0.0000  800.853   47.548  343.263   10.242  343.263   10.242 -0.000000 0.000000 
1 1 1  -17    0   22 o  662.127   11.241  2978.66  100.728  2954.89  141.865  3002.83  143.044  659.458   15.896  664.796   15.899 -0.000000 0.000000 
1 1 1  -17    0   23 o  1048.53   16.791  7477.73  238.297  7407.29  335.021  7549.86  339.021  1043.53   23.719  1053.53   23.774 -0.000000 0.000000 
1 1 1  -17    0   24 o  1145.84   18.236  8933.81  282.822  9012.09  402.464  8857.44  397.523  1150.79   25.837  1140.88   25.742 -0.000000 0.000000 
1 1 1  -17    0   25 o  1237.62   19.605 10425.41  328.385 10584.35  469.315 10272.95  459.649  1246.86   27.807  1228.39   27.644 -0.000000 0.000000 
1 1 1  -17    0   26 o  1042.08   16.703  7385.63  235.577  7485.73  336.288  7289.19  330.111  1049.02   23.684  1035.15   23.560 -0.000000 0.000000 
1 1 1  -17    0   27 o  438.908   11.877  1308.95   70.524  1308.95   70.524   0.0000   0.0000  438.908   11.877  438.908   11.877 -0.000000 0.000000 
1 1 1  -17    0   28 o  336.567   10.340  770.074   47.058  770.074   47.058   0.0000   0.0000  336.567   10.340  336.567   10.340 -0.000000 0.000000 
1 1 1  -17    0   29 o  350.949   7.4352  837.191   35.288  839.844   50.053  834.568   49.759  351.502   10.529  350.396   10.501 -0.000000 0.000000 
1 1 1  -17    0   30 f  699.808   11.802  3328.40  111.780  3327.60  158.292  3329.19  157.871  699.721   16.715  699.894   16.667 -0.000000 0.000000 
1 1 1  -17    0   31 o  957.243   15.479  6232.14  200.541  6141.95  281.164  6325.54  286.116  950.189   21.862  964.297   21.921 -0.000000 0.000000 
1 1 1  -17    0   32 o  395.092   7.9399  1060.85   42.429  1067.10   60.452  1054.78   59.566  396.236   11.279  393.948   11.178 -0.000000 0.000000 
1 1 1  -17    0   33 o  170.968   6.5167  200.463   14.945  184.028   21.307  216.379   20.967  163.911   9.6695  178.025   8.7391 -0.000000 0.000000 
1 1 1  -17    0   34 o  612.835   10.649  2552.44   88.309  2570.12  125.790  2535.26  124.006  614.924   15.116  610.746   15.003 -0.000000 0.000000 
1 1 1  -17    0   35 o  907.297   14.783  5599.72  181.502  5685.46  259.704  5517.87  253.764  914.078   20.991  900.516   20.820 -0.000000 0.000000 
1 1 1  -17    0   36 o  167.498   6.6141  192.490   14.860  182.766   21.480  201.416   20.580  163.314   9.7863  171.681   8.9004 -0.000000 0.000000 
1 1 1  -17    0   37 o  205.479   6.5552  288.329   18.142  279.827   26.109  296.267   25.227  202.484   9.5639  208.473   8.9675 -0.000000 0.000000 
1 1 1  -17    0   38 o  833.592   13.731  4726.99  154.896  4795.50  221.572  4661.51  216.623  839.492   19.500  827.691   19.337 -0.000000 0.000000 
1 1 1  -17    0   39 o  633.919   10.962  2731.34   94.018  2777.89  134.944  2687.42  131.063  639.161   15.601  628.676   15.405 -0.000000 0.000000 
1 1 1  -17    0   40 o  381.887   11.003  991.538   56.834   0.0000   0.0000  991.538   56.834  381.887   11.003  381.887   11.003 -0.000000 0.000000 
1 1 1  -17    0   41 o  373.706   10.900  949.607   55.094   0.0000   0.0000  949.607   55.094  373.706   10.900  373.706   10.900 -0.000000 0.000000 
1 1 1  -17    0   42 o  493.601   9.1535  1656.33   61.119  1673.86   87.523  1639.64   85.387  496.142   13.038  491.060   12.851 -0.000000 0.000000 
1 1 1  -17    0   43 o  673.167   11.503  3083.31  104.788  3104.41  149.351  3062.85  147.061  675.426   16.339  670.907   16.197 -0.000000 0.000000 
1 1 1  -17    0   44 o  391.475   7.9877  1042.27   42.283  1045.77   60.579  1038.95   59.044  392.100   11.423  390.850   11.168 -0.000000 0.000000 
1 1 1  -17    0   45 o  309.306   7.2175  651.395   30.159  641.051   43.201  661.229   42.122  306.873   10.416  311.738   9.9941 -0.000000 0.000000 
1 1 1  -17    0   46 o  234.820   6.8574  376.150   21.724  365.334   30.906  386.713   30.542  231.434   9.8955  238.205   9.4959 -0.000000 0.000000 
1 1 1  -17    0   47 o  513.531   13.451  1794.77   93.463  1794.77   93.463   0.0000   0.0000  513.531   13.451  513.531   13.451 -0.000000 0.000000 
1 1 1  -17    0   48 o  298.047   7.1310  604.543   28.712  613.150   41.398  596.566   39.855  300.080   10.207  296.015   9.9610 -0.000000 0.000000 
1 1 1  -17    0   49 o  318.865   7.3111  691.776   31.497  703.876   45.503  680.645   43.641  321.530   10.468  316.201   10.209 -0.000000 0.000000 
1 1 1  -17    0   50 o  528.281   9.6337  1900.52   68.858  1897.19   97.912  1903.79   96.858  527.804   13.710  528.757   13.538 -0.000000 0.000000 
1 1 1  -17    0   51 o  279.909   6.9985  533.534   26.448  539.202   38.292  528.364   36.574  281.308   10.074  278.511   9.7173 -0.000000 0.000000 
1 1 1  -17    0   52 o  244.961   6.7976  408.210   22.447  424.566   32.941  394.031   30.670  249.525   9.7759  240.396   9.4479 -0.000000 0.000000 
1 1 1  -17    0   53 o  289.940   7.1112  573.187   27.840  547.727   39.455  598.434   39.289  283.461   10.302  296.420   9.8052 -0.000000 0.000000 
1 1 1  -17    0   54 o  297.577   7.2038  603.163   28.946  609.175   41.931  597.690   40.009  298.966   10.378  296.188   9.9937 -0.000000 0.000000 
1 1 1  -17    0   55 o  354.920   7.7172  858.675   37.015  829.888   52.560  887.001   52.137  348.957   11.141  360.882   10.682 -0.000000 0.000000 
1 1 1  -17    0   56 o  379.741   7.9615  982.674   40.865  979.664   58.754  985.495   56.874  379.138   11.459  380.345   11.056 -0.000000 0.000000 
1 1 1  -17    0   57 o  288.997   9.8917  569.267   38.636   0.0000   0.0000  569.267   38.636  288.997   9.8917  288.997   9.8917 -0.000000 0.000000 
1 1 1  -17    0   58 o  294.480   9.9715  591.134   39.689   0.0000   0.0000  591.134   39.689  294.480   9.9715  294.480   9.9715 -0.000000 0.000000 
1 1 1  -17    0   59 o  458.010   8.8655  1430.82   54.916  1428.31   78.587  1433.22   76.770  457.578   12.696  458.443   12.378 -0.000000 0.000000 
1 1 1  -17    0   60 o  561.755   10.165  2155.54   77.257  2128.89  109.522  2181.94  108.995  558.253   14.499  565.257   14.250 -0.000000 0.000000 
1 1 1  -17    0   61 o  253.906   7.0224  440.934   24.030  422.761   34.601  457.866   33.398  248.746   10.305  259.065   9.5427 -0.000000 0.000000 
1 1 1  -17    0   62 o  131.775   7.3580  119.308   12.873  128.499   19.543  112.264   17.109  136.211   10.741  127.340   10.059 -0.000000 0.000000 
1 1 1  -17    0   63 o  313.172   10.751  669.478   45.505  669.478   45.505   0.0000   0.0000  313.172   10.751  313.172   10.751 -0.000000 0.000000 
1 1 1  -17    0   64 o  576.284   14.812  2272.19  115.497  2272.19  115.497   0.0000   0.0000  576.284   14.812  576.284   14.812 -0.000000 0.000000 
1 1 1  -17    0   65 o  366.219   7.9715  915.277   39.442  922.849   57.069  908.353   54.574  367.622   11.481  364.816   11.062 -0.000000 0.000000 
1 1 1  -17    0   66 o  403.541   8.3553  1112.08   45.572  1114.95   65.692  1109.41   63.274  403.988   12.024  403.093   11.605 -0.000000 0.000000 
1 1 1  -17    0   67 o  131.318   8.4341  124.745   14.004   93.754   20.780  150.531   18.955  114.769   13.904  147.867   9.5510 -0.000000 0.000000 
1 1 1  -17    0   68 o  175.524   7.1997  212.440   16.916  202.852   24.752  220.842   23.171  171.618   10.739  179.429   9.5919 -0.000000 0.000000 
1 1 1  -17    0   69 o  386.524   8.1825  1019.36   42.718  1051.35   62.328  991.026   58.664  392.197   11.751  380.850   11.390 -0.000000 0.000000 
1 1 1  -17    0   70 o  327.031   7.6973  731.413   33.986  722.446   49.100  739.661   47.089  325.022   11.178  329.040   10.585 -0.000000 0.000000 
1 1 1  -17    0   71 o  444.681   8.8828  1353.06   53.385  1362.14   77.233  1344.75   73.875  446.027   12.802  443.334   12.318 -0.000000 0.000000 
1 1 1  -17    0   72 o  152.746   7.6802  161.842   15.539  158.523   23.617  164.376   20.635  151.087   11.696  154.405   9.9570 -0.000000 0.000000 
1 1 1  -17    0   73 o  192.946   9.7113  255.502   25.245   0.0000   0.0000  255.502   25.245  192.946   9.7113  192.946   9.7113 -0.000000 0.000000 
1 1 1  -17    0   74 o  319.576   7.6673  696.127   33.020  741.635   49.066  658.459   44.640  329.049   11.032  310.102   10.651 -0.000000 0.000000 
1 1 1  -17    0   75 o   71.633   12.972   41.806   10.759   39.930   16.615   43.160   14.119   68.434   20.558   74.833   15.826 -0.000000 0.000000 
1 1 1  -17    0   76 f  102.211   9.4481   76.857   11.953   64.051   17.824   87.324   16.114   92.943   15.431  111.478   10.907 -0.000000 0.000000 
1 1 1  -17    0   77 o  165.938   7.3966  191.188   16.394  181.754   24.035  199.395   22.418  161.844   11.078  170.031   9.8040 -0.000000 0.000000 
1 1 1  -17    0   78 o   51.026   21.731   25.851   15.285   25.851   15.285   0.0000   0.0000   51.026   21.731   51.026   21.731 -0.000000 0.000000 
1 1 1  -17    0   79 o  365.956   8.1134  922.309   40.124  925.806   57.762  919.048   55.777  366.533   11.656  365.379   11.289 -0.000000 0.000000 
1 1 1  -17    0   80 o  118.963   8.1712  100.583   12.755   93.532   18.744  106.662   17.406  114.566   12.446  123.361   10.592 -0.000000 0.000000 
1 1 1  -17    0   81 o   43.659   13.233   16.973   9.1734   30.540   14.069   6.9393   12.099   57.986   19.913   29.332   17.433 -0.000000 0.000000 
1 1 1  -17    0   82 f  122.794   7.9494  106.893   12.880  102.349   19.064  110.709   17.470  119.979   12.000  125.609   10.429 -0.000000 0.000000 
1 1 1  -17    0   83 o   75.567   11.693   46.127   10.261   38.561   15.265   52.363   13.859   67.083   19.358   84.051   13.121 -0.000000 0.000000 
1 1 1  -17    0   84 o  178.453   7.1463  219.333   17.061  247.431   25.756  197.366   22.774  188.602   10.145  168.303   10.068 -0.000000 0.000000 
1 1 1  -17    0   85 o   88.508   9.7423   57.669   10.748   64.961   16.577   52.379   14.118   93.399   14.031   83.617   13.520 -0.000000 0.000000 
1 1 1  -17    0   86 o   57.662   18.120   29.538   12.433   0.0000   0.0000   29.538   12.433   57.662   18.120   57.662   18.120 -0.000000 0.000000 
1 1 1  -17    0   87 o   56.149   17.822   28.193   11.934   0.0000   0.0000   28.193   11.934   56.149   17.822   56.149   17.822 -0.000000 0.000000 
1 1 1  -17    0   88 o   17.410   12.057  -7.3241   9.7830   0.0000   0.0000  -7.3241   9.7830   17.410   12.057   17.410   12.057 -0.000000 0.000000 
1 1 1  -17    0   89 o  104.484   11.458   79.222   15.727   0.0000   0.0000   79.222   15.727  104.484   11.458  104.484   11.458 -0.000000 0.000000 
1 1 1  -17    1    1 o  1181.35   13.220  9484.05  211.643  9470.63  299.077  9497.52  299.540  1180.51   18.695  1182.19   18.698 -1.673828 26.44076 
1 1 1  -17    1    2 o  437.260   5.8046  1296.09   34.393  1278.24   48.373  1314.35   48.909  434.214   8.2209  440.306   8.1969 -6.092194 11.60914 
1 1 1  -17    1    3 o  1052.84   13.693  7468.03  168.042  7404.81  193.024  7665.96  341.523  1044.56   13.636  1061.11   23.751 -16.54663 27.38687 
1 1 1  -17    1    4 o  995.122   13.017  6719.53  175.542  6719.53  175.542   0.0000   0.0000  995.122   13.017  ?   ?       ?      ? 
1 1 1  -17    1    5 o  640.657   8.8734  2782.92   77.037  2782.92   77.037   0.0000   0.0000  640.657   8.8734  ?   ?       ?      ? 
1 1 1  -17    1    6 o  1025.58   14.189  7132.57  185.471  7095.76  226.361  7207.78  323.524  1022.16   16.342  1028.99   23.201 -6.827332 28.37878 
1 1 1  -17    1    7 o  1093.37   15.056  8069.92  208.951  7957.06  253.494  8309.11  369.055  1082.27   17.284  1104.47   24.658 -22.20007 30.11229 
1 1 1  -17    1    8 o  483.835   6.2095  1587.22   40.713  1585.72   57.574  1588.73   57.580  483.605   8.7852  484.064   8.7778 -0.4586792 12.41892 
1 1 1  -17    1    9 o  488.271   6.2544  1616.45   41.384  1623.80   58.670  1609.18   58.381  489.375   8.8469  487.167   8.8433 2.208191 12.50889 
1 1 1  -17    1   10 o  1067.83   12.020  7744.90  173.931  7812.41  247.396  7678.92  244.578  1072.43   17.023  1063.23   16.975 9.194336 24.04028 
1 1 1  -17    1   11 o  1015.69   11.481  7005.92  158.019  7007.09  223.478  7004.75  223.466  1015.77   16.235  1015.60   16.237 0.1700439 22.96128 
1 1 1  -17    1   12 o  646.639   7.7504  2836.14   67.915  2839.89   96.124  2832.39   95.970  647.066   10.962  646.211   10.959 0.8549194 15.50079 
1 1 1  -17    1   13 o  964.875   10.959  6321.08  143.295  6330.23  202.815  6311.98  202.484  965.571   15.500  964.179   15.497 1.392334 21.91828 
1 1 1  -17    1   14 o  1077.57   14.869  7910.98  205.044  7938.84  251.812  7856.16  353.230  1081.07   17.189  1074.08   24.268 6.989502 29.73877 
1 1 1  -17    1   15 o  421.776   8.0382  1206.61   45.941  1188.76   64.711  1224.75   65.232  418.629   11.407  424.922   11.328 -6.293396 16.07631 
1 1 1  -17    1   16 o  1159.88   13.008  9140.78  204.449  9223.72  291.070  9060.01  287.237  1165.07   18.436  1154.70   18.356 10.37158 26.01618 
1 1 1  -17    1   17 o  1423.71   19.373 13757.95  350.958 13638.38  427.369 14005.58  615.033  1415.78   22.275  1431.65   31.701 -15.86804 38.74501 
1 1 1  -17    1   18 f  836.348   11.810  4730.46  125.876  4691.85  153.495  4809.76  219.960  831.487   13.622  841.209   19.296 -9.722168 23.61964 
1 1 1  -17    1   19 o  798.280   9.2784  4324.02  100.371  4314.25  141.721  4333.85  142.174  797.376   13.116  799.184   13.128 -1.807983 18.55684 
1 1 1  -17    1   20 o  1012.47   11.467  6960.91  157.330  6930.27  221.927  6991.86  223.075  1010.23   16.211  1014.71   16.223 -4.478088 22.93411 
1 1 1  -17    1   21 o  1037.38   14.393  7362.08  191.654  7174.31  326.514  7460.78  236.725  1026.63   23.470  1048.12   16.667 -21.48938 28.78539 
1 1 1  -17    1   22 o  1080.53   14.932  7951.25  206.295  7908.14  356.158  7973.02  253.070  1077.65   24.388  1083.41   17.237 -5.759521 29.86475 
1 1 1  -17    1   23 o  868.352   9.9975  5117.69  117.643  5127.71  166.695  5107.75  166.052  869.198   14.152  867.507   14.125 1.690491 19.99492 
1 1 1  -17    1   24 o  508.678   9.2238  1755.74   63.581  1750.76   89.580  1760.79   90.259  507.954   13.014  509.403   13.075 -1.448914 18.44767 
1 1 1  -17    1   25 o  517.422   8.0961  1822.52   53.581  1835.81   65.823  1796.43   92.248  520.324   9.3351  514.519   13.230 5.805481 16.19220 
1 1 1  -17    1   26 o  386.798   6.7089  1016.08   33.206  1009.79   57.240  1019.27   40.767  385.844   10.947  387.752   7.7583 -1.908447 13.41771 
1 1 1  -17    1   27 o  709.724   10.297  3399.71   92.974  3476.59  163.240  3362.80  113.114  715.402   16.838  704.047   11.856 11.35510 20.59324 
1 1 1  -17    1   28 o  803.422   11.474  4398.75  118.000  4429.04  145.072  4339.52  202.848  807.846   13.252  798.998   18.735 8.848450 22.94754 
1 1 1  -17    1   29 f  949.331   13.302  6145.77  161.652  6185.02  198.732  6069.04  277.904  954.352   15.367  944.310   21.717 10.04138 26.60362 
1 1 1  -17    1   30 o  411.810   5.7150  1149.62   31.890  1167.87   45.434  1131.89   44.773  415.032   8.0783  408.588   8.0862 6.444183 11.43004 
1 1 1  -17    1   31 o  647.978   7.8289  2848.52   68.745  2848.97   97.216  2848.06   97.224  648.029   11.070  647.926   11.073 0.1031494 15.65776 
1 1 1  -17    1   32 o  556.645   6.9730  2101.37   52.596  2075.16   73.874  2128.32   74.900  553.125   9.8556  560.164   9.8669 -7.039429 13.94594 
1 1 1  -17    1   33 o  635.540   7.7118  2740.42   66.417  2736.75   93.878  2744.09   93.978  635.115   10.908  635.966   10.905 -0.8507080 15.42359 
1 1 1  -17    1   34 o  1012.09   11.496  6962.03  157.669  6950.31  222.749  6973.80  223.206  1011.24   16.255  1012.94   16.261 -1.706116 22.99190 
1 1 1  -17    1   35 o  990.763   11.279  6671.96  151.438  6680.91  214.344  6663.05  213.989  991.425   15.954  990.100   15.949 1.324768 22.55871 
1 1 1  -17    1   36 o  622.129   7.6002  2626.28   64.073  2605.94   90.186  2647.02   91.047  619.697   10.739  624.561   10.757 -4.863586 15.20048 
1 1 1  -17    1   37 o  740.306   8.7509  3721.17   87.791  3723.12  124.180  3719.21  124.130  740.500   12.375  740.111   12.376 0.3894043 17.50186 
1 1 1  -17    1   38 o  583.549   7.2476  2310.67   57.312  2322.90   81.286  2298.58   80.819  585.084   10.252  582.013   10.247 3.071106 14.49512 
1 1 1  -17    1   39 o  570.146   8.6968  2205.76   63.453  2202.27   77.820  2212.70  109.608  569.681   10.080  570.610   14.175 -0.9291992 17.39367 
1 1 1  -17    1   40 o  222.878   6.4763  337.079   19.544  319.242   27.498  355.286   27.783  216.912   9.3547  228.843   8.9588 -11.93085 12.95261 
1 1 1  -17    1   41 o  505.936   8.0187  1733.89   51.814  1750.85   90.006  1725.48   63.367  507.601   13.085  504.272   9.2730 3.329407 16.03740 
1 1 1  -17    1   42 o  672.200   8.1059  3068.86   73.838  3081.83  104.691  3056.03  104.155  673.612   11.469  670.788   11.458 2.824707 16.21179 
1 1 1  -17    1   43 o  463.022   6.1953  1454.78   38.872  1443.99   54.837  1465.68   55.112  461.295   8.7723  464.748   8.7507 -3.453003 12.39063 
1 1 1  -17    1   44 o  500.631   6.5194  1701.18   44.228  1688.01   62.305  1714.55   62.794  498.679   9.2198  502.583   9.2199 -3.904480 13.03879 
1 1 1  -17    1   45 o  482.676   6.3734  1581.28   41.685  1558.98   58.554  1604.19   59.358  479.226   9.0164  486.125   9.0105 -6.898590 12.74688 
1 1 1  -17    1   46 o  646.863   9.6796  2849.83   79.951  2843.69  138.492  2852.90   97.915  645.839   15.824  647.888   11.152 -2.048767 19.35916 
1 1 1  -17    1   47 o  461.842   8.8557  1451.21   55.421  1442.82   77.878  1459.82   78.886  460.496   12.480  463.187   12.568 -2.691467 17.71138 
1 1 1  -17    1   48 o  160.273   4.7566  174.270   10.327  167.702   14.528  180.977   14.681  157.218   6.8191  163.327   6.6332 -6.109848 9.513103 
1 1 1  -17    1   49 o  457.145   6.1697  1419.29   38.220  1428.52   54.251  1410.18   53.853  458.621   8.7291  455.668   8.7213 2.952850 12.33931 
1 1 1  -17    1   50 o  491.541   6.4673  1641.60   43.078  1652.06   61.124  1631.28   60.722  493.096   9.1475  489.986   9.1449 3.110107 12.93463 
1 1 1  -17    1   51 o  443.464   6.0739  1335.58   36.495  1365.05   52.145  1307.29   51.095  448.259   8.5842  438.670   8.5953 9.588470 12.14771 
1 1 1  -17    1   52 o  485.865   6.4429  1604.45   42.420  1619.47   60.250  1589.68   59.734  488.121   9.1086  483.609   9.1148 4.511688 12.88587 
1 1 1  -17    1   53 o  363.073   5.4679  895.165   26.900  913.029   38.325  877.819   37.765  366.645   7.7136  359.502   7.7518 7.143402 10.93570 
1 1 1  -17    1   54 o  229.868   4.7570  358.716   14.818  357.747   20.966  359.684   20.945  229.557   6.7398  230.179   6.7149 -0.6221924 9.513954 
1 1 1  -17    1   55 o  596.708   7.4534  2424.64   60.269  2435.27   85.445  2414.11   85.023  598.009   10.544  595.408   10.538 2.601807 14.90679 
1 1 1  -17    1   56 o  516.727   6.7271  1816.96   47.105  1806.31   66.470  1827.69   66.764  515.206   9.5205  518.249   9.5065 -3.042847 13.45413 
1 1 1  -17    1   57 o  243.365   6.6443  402.948   21.908  411.583   31.333  394.688   30.645  245.915   9.4022  240.816   9.3906 5.098877 13.28850 
1 1 1  -17    1   58 o  125.482   6.8556  107.202   11.647  113.660   16.620  100.971   16.326  129.207   9.4919  121.757   9.8946 7.450500 13.71126 
1 1 1  -17    1   59 o  246.261   4.8492  411.618   16.173  392.912   22.524  431.527   23.237  240.486   6.9117  252.037   6.8035 -11.55106 9.698412 
1 1 1  -17    1   60 o  243.435   4.8469  402.648   15.989  405.456   22.626  399.848   22.598  244.285   6.8349  242.585   6.8742 1.699356 9.693855 
1 1 1  -17    1   61 o  178.834   4.8125  217.216   11.654  229.202   16.669  205.755   16.300  183.666   6.6972  174.002   6.9128 9.663879 9.624928 
1 1 1  -17    1   62 o  204.650   4.8121  284.634   13.345  280.604   18.838  288.693   18.907  203.193   6.8413  206.107   6.7692 -2.914490 9.624242 
1 1 1  -17    1   63 o  206.636   7.0733  291.346   19.802  294.371   27.793  288.228   28.220  207.744   9.8724  205.529   10.132 2.215393 14.14658 
1 1 1  -17    1   64 o  205.635   4.9408  287.514   13.768  288.249   19.506  286.785   19.436  205.897   6.9910  205.374   6.9837 0.5229340 9.881643 
1 1 1  -17    1   65 o  324.810   5.3245  717.826   23.435  727.374   33.286  708.441   33.001  326.955   7.5127  322.665   7.5473 4.289429 10.64907 
1 1 1  -17    1   66 o  233.445   4.9497  370.651   15.658  366.883   22.080  374.463   22.208  232.249   7.0155  234.640   6.9845 -2.390976 9.899472 
1 1 1  -17    1   67 o  170.895   5.1173  198.661   11.846  206.887   16.909  190.733   16.601  174.376   7.1556  167.414   7.3174 6.962219 10.23461 
1 1 1  -17    1   68 o  296.836   5.2178  599.774   20.989  599.176   29.721  600.370   29.644  296.686   7.3924  296.986   7.3658 -0.3004456 10.43562 
1 1 1  -17    1   69 f  267.494   5.0970  487.057   18.476  489.333   26.126  484.780   26.132  268.122   7.1906  266.866   7.2260 1.256165 10.19408 
1 1 1  -17    1   70 o  500.200   6.6911  1709.43   45.354  1722.64   64.302  1696.35   63.980  502.129   9.4498  498.272   9.4753 3.856934 13.38212 
1 1 1  -17    1   71 o  195.431   5.0508  259.931   13.368  247.556   18.670  272.949   19.150  190.649   7.2266  200.212   7.0582 -9.563141 10.10160 
1 1 1  -17    1   72 o  162.574   5.2468  179.673   11.542  193.359   16.780  167.380   15.902  168.445   7.3510  156.704   7.4886 11.74034 10.49363 
1 1 1  -17    1   73 o  214.366   6.8804  314.596   19.982  323.736   28.631  305.916   27.900  217.403   9.7183  211.329   9.7423 6.073822 13.76071 
1 1 1  -17    1   74 o  129.781   5.4395  114.870   9.5610  109.653   13.316  120.421   13.736  126.735   7.7537  132.827   7.6311 -6.092972 10.87901 
1 1 1  -17    1   75 o  161.102   5.0997  177.120   11.133  176.708   15.665  177.539   15.825  160.917   7.1837  161.286   7.2403 -0.3688965 10.19940 
1 1 1  -17    1   76 o  150.135   5.1912  153.989   10.562  153.326   14.913  154.656   14.959  149.810   7.3460  150.460   7.3369 -0.6495972 10.38238 
1 1 1  -17    1   77 o  200.733   5.0517  275.427   13.738  283.156   19.445  267.725   19.412  203.568   7.0488  197.898   7.2383 5.669693 10.10334 
1 1 1  -17    1   78 o  125.389   8.2855  109.246   14.064  116.056   20.101  102.714   19.685  129.281   11.474  121.496   11.956 7.784142 16.57093 
1 1 1  -17    1   79 o  169.166   5.1804  195.999   11.870  204.945   16.959  187.408   16.619  172.971   7.2350  165.360   7.4164 7.611496 10.36088 
1 1 1  -17    1   80 o  176.168   5.0461  212.574   12.033  226.968   17.288  199.043   16.760  181.984   7.0100  170.352   7.2603 11.63255 10.09221 
1 1 1  -17    1   81 f  157.995   5.0729  171.376   10.860  174.761   15.442  168.062   15.277  159.548   7.1420  156.442   7.2062 3.106079 10.14579 
1 1 1  -17    1   82 o  138.807   5.2644  132.530   9.8908  141.794   14.195  123.788   13.789  143.561   7.2964  134.053   7.5908 9.508163 10.52887 
1 1 1  -17    1   83 o  233.740   5.0059  376.137   15.856  378.818   22.508  373.495   22.340  234.566   7.0809  232.914   7.0778 1.652222 10.01173 
1 1 1  -17    1   84 o   57.309   8.6297   24.216   6.4957   24.478   9.2776   23.964   9.0978   57.602   12.262   57.017   12.147 0.5849342 17.25948 
1 1 1  -17    1   85 o   71.686   7.3857   36.844   6.8431   46.750   9.9272   27.876   9.4460   81.775   8.9583   61.597   11.745 20.17764 14.77135 
1 1 1  -17    1   86 o   83.102   9.0245   50.975   9.7333   62.190   13.908   40.210   13.626   93.365   10.993   72.839   14.315 20.52555 18.04895 
1 1 1  -17    1   87 o   50.816   10.560   19.290   8.4671   29.915   11.927   8.4945   12.022   62.319   14.410   39.312   15.439 23.00702 21.11963 
1 1 1  -17    1   88 o   79.611   8.9829   46.635   9.6886   46.089   13.796   47.167   13.610   79.065   12.876   80.157   12.529 -1.092064 17.96585 
1 1 1  -17    1   89 o   76.140   9.2634   43.618   9.3725   43.946   13.273   43.292   13.237   77.014   12.718   75.267   13.472 1.747269 18.52686 
1 1 1  -17    2    1 o  915.679   12.035  5671.79  129.052  5648.96  148.729  5741.35  259.612  912.522   12.027  918.835   20.850 -6.312317 24.07024 
1 1 1  -17    2    2 o  1081.68   14.064  7980.18  179.197  8006.95  207.522  7901.71  355.312  1086.16   14.099  1077.21   24.340 8.948242 28.12888 
1 1 1  -17    2    3 o  739.962   9.9752  3709.00   86.685  3701.76  100.091  3730.72  173.388  738.830   9.9970  741.094   17.265 -2.264404 19.95033 
1 1 1  -17    2    4 o  964.414   12.608  6250.55  141.609  6186.26  162.519  6453.31  288.598  954.877   12.560  973.950   21.866 -19.07306 25.21657 
1 1 1  -17    2    5 o  1300.70   16.737 11566.47  256.410 11617.07  297.038 11418.54  507.920  1307.84   16.760  1293.56   28.975 14.27954 33.47321 
1 1 1  -17    2    6 o  862.421   11.452  5132.99  117.601  5226.67  137.496  4877.71  226.977  877.788   11.559  847.054   19.774 30.73389 22.90434 
1 1 1  -17    2    7 o  570.989   8.0561  2188.41   53.930  2165.88   62.089  2257.64  108.832  565.222   8.1061  576.756   13.925 -11.53424 16.11221 
1 1 1  -17    2    8 o  952.664   13.280  6170.97  161.620  6177.16  197.998  6158.61  279.776  953.859   15.318  951.469   21.699 2.388977 26.56058 
1 1 1  -17    2    9 f  967.019   15.518  6349.13  203.357  6349.13  203.357   0.0000   0.0000  967.019   15.518  ?   ?       ?      ? 
1 1 1  -17    2   10 o  566.981   9.8448  2180.63   75.622  2127.41  105.540  2236.79  108.409  559.876   13.910  574.086   13.935 -14.21045 19.68965 
1 1 1  -17    2   11 o  877.483   12.309  5222.32  137.843  5255.05  239.583  5206.13  168.530  879.158   20.110  875.808   14.200 3.349609 24.61786 
1 1 1  -17    2   12 o  1328.29   14.784 11986.82  265.963 11641.21  368.597 12362.20  384.142  1308.36   20.789  1348.21   21.026 -39.85156 29.56824 
1 1 1  -17    2   13 o  953.063   13.261  6161.09  161.320  6137.86  197.235  6208.05  280.388  950.827   15.307  955.300   21.659 -4.472839 26.52214 
1 1 1  -17    2   14 o  745.157   10.668  3771.51  101.727  3775.65  124.840  3763.34  175.492  746.001   12.349  744.313   17.399 1.688416 21.33580 
1 1 1  -17    2   15 o  1080.50   14.893  7929.90  205.480  7909.56  251.407  7970.83  356.620  1079.09   17.192  1081.92   24.324 -2.823120 29.78625 
1 1 1  -17    2   16 o  923.646   10.539  5788.87  131.879  5905.42  189.006  5678.28  184.101  932.697   14.954  914.595   14.854 18.10205 21.07748 
1 1 1  -17    2   17 o  697.490   8.2593  3299.75   78.062  3331.49  111.121  3268.83  109.684  700.799   11.701  694.181   11.660 6.618408 16.51855 
1 1 1  -17    2   18 o  744.820   8.7298  3763.56   88.112  3741.18  124.246  3786.21  124.974  742.592   12.347  747.048   12.345 -4.456116 17.45960 
1 1 1  -17    2   19 o  852.241   9.8151  4929.15  113.354  4909.50  159.953  4948.96  160.664  850.536   13.878  853.946   13.884 -3.410400 19.63027 
1 1 1  -17    2   20 o  558.883   6.9394  2118.05   52.556  2125.40   74.540  2110.79   74.112  559.846   9.8251  557.920   9.8024 1.926147 13.87877 
1 1 1  -17    2   21 o  363.457   5.2655  895.324   25.932  877.639   36.413  913.523   36.938  359.815   7.4678  367.099   7.4253 -7.283295 10.53105 
1 1 1  -17    2   22 o  712.321   10.328  3425.48   93.517  3498.11  164.419  3390.75  113.700  717.653   16.907  706.989   11.868 10.66449 20.65603 
1 1 1  -17    2   23 o  931.359   13.048  5874.84  154.732  5952.12  270.602  5837.29  188.608  935.437   21.347  927.281   15.009 8.155640 26.09543 
1 1 1  -17    2   24 o  732.343   10.558  3635.19   98.694  3658.29  171.497  3623.75  120.681  733.844   17.245  730.842   12.185 3.001831 21.11586 
1 1 1  -17    2   25 o  640.799   9.4564  2772.20   77.183  2828.83  135.146  2744.79   94.026  645.462   15.451  636.137   10.907 9.324951 18.91273 
1 1 1  -17    2   26 f  336.411   5.1085  767.150   23.288  771.774   33.059  762.595   32.812  337.417   7.2299  335.405   7.2190 2.012238 10.21695 
1 1 1  -17    2   27 o  368.697   5.3538  921.445   26.748  931.718   38.090  911.451   37.569  370.724   7.5818  366.670   7.5609 4.053589 10.70752 
1 1 1  -17    2   28 o  582.514   7.2129  2299.45   56.910  2366.58   82.030  2237.16   79.021  590.701   10.248  574.327   10.153 16.37415 14.42570 
1 1 1  -17    2   29 o  743.320   12.432  3752.80  125.184  3664.61  174.288  3846.78  179.921  734.313   17.515  752.326   17.648 -18.01251 24.86386 
1 1 1  -17    2   30 o  725.930   10.547  3583.93   97.813  3594.35  119.887  3563.19  169.157  727.788   12.156  724.073   17.240 3.715088 21.09426 
1 1 1  -17    2   31 o  694.519   8.2859  3272.81   77.981  3301.79  110.940  3244.51  109.635  697.557   11.736  691.482   11.700 6.074585 16.57188 
1 1 1  -17    2   32 o  689.597   8.2339  3226.16   76.935  3279.78  109.919  3174.66  107.719  695.211   11.667  683.983   11.622 11.22815 16.46783 
1 1 1  -17    2   33 o  303.710   4.9598  625.315   20.412  629.416   29.002  621.290   28.735  304.697   7.0238  302.724   7.0045 1.972809 9.919509 
1 1 1  -17    2   34 o  517.574   6.6283  1816.84   46.487  1837.27   66.160  1796.93   65.333  520.447   9.3807  514.701   9.3669 5.745300 13.25655 
1 1 1  -17    2   35 o  383.108   5.5167  995.256   28.640  996.859   40.561  993.663   40.447  383.416   7.8064  382.801   7.7971 0.6148682 11.03335 
1 1 1  -17    2   36 o  427.268   5.8728  1237.86   34.001  1260.06   48.469  1216.34   47.708  431.040   8.2978  423.496   8.3131 7.543854 11.74569 
1 1 1  -17    2   37 o  184.383   4.5791  230.545   11.438  225.040   16.212  236.002   16.141  182.189   6.5664  186.577   6.3840 -4.387878 9.158240 
1 1 1  -17    2   38 o  261.904   5.7327  465.676   19.378  466.738   24.005  463.690   32.830  262.371   6.7516  261.437   9.2666 0.9346008 11.46535 
1 1 1  -17    2   39 o  653.267   9.6636  2913.96   81.095  2944.70  100.165  2855.48  138.158  658.599   11.223  647.935   15.735 10.66327 19.32721 
1 1 1  -17    2   40 o  628.513   7.6910  2681.62   65.502  2700.46   93.213  2663.24   92.065  630.690   10.906  626.335   10.847 4.354858 15.38191 
1 1 1  -17    2   41 o  366.850   6.6107  902.875   30.867  943.372   54.429  883.676   37.476  372.752   10.775  360.948   7.6617 11.80356 13.22147 
1 1 1  -17    2   42 o  214.357   4.6434  311.598   13.488  310.462   19.136  312.719   19.014  213.968   6.5996  214.746   6.5339 -0.7781219 9.286894 
1 1 1  -17    2   43 o  233.027   4.6943  368.265   14.824  368.716   20.970  367.813   20.958  233.170   6.6367  232.885   6.6408 0.2858429 9.388597 
1 1 1  -17    2   44 o  371.260   5.4732  934.750   27.530  958.352   39.408  912.253   38.475  375.836   7.7376  366.685   7.7429 9.151001 10.94641 
1 1 1  -17    2   45 o  393.566   6.9539  1055.78   34.970  1040.36   60.317  1063.58   42.920  391.241   11.377  395.891   8.0002 -4.649872 13.90785 
1 1 1  -17    2   46 o  407.626   7.0984  1131.08   36.937  1121.87   63.934  1135.69   45.254  406.199   11.615  409.053   8.1639 -2.853729 14.19689 
1 1 1  -17    2   47 o  514.695   8.2256  1808.45   54.058  1822.06   66.308  1781.48   93.347  517.923   9.4476  511.468   13.468 6.454865 16.45117 
1 1 1  -17    2   48 o  453.400   6.1394  1395.61   37.716  1422.97   53.905  1369.37   52.789  457.751   8.6900  449.049   8.6749 8.701904 12.27888 
1 1 1  -17    2   49 o  263.810   4.8440  472.273   17.317  469.815   24.488  474.732   24.492  263.122   6.8678  264.497   6.8332 -1.375305 9.688101 
1 1 1  -17    2   50 o  496.315   6.5124  1673.77   43.798  1656.72   61.585  1691.22   62.302  493.758   9.2040  498.871   9.2157 -5.112854 13.02473 
1 1 1  -17    2   51 o  423.606   5.9190  1218.98   33.977  1218.06   47.991  1219.91   48.112  423.447   8.3633  423.766   8.3781 -0.3190308 11.83793 
1 1 1  -17    2   52 o  320.903   5.1906  699.213   22.572  695.411   31.867  703.041   31.976  320.026   7.3481  321.779   7.3331 -1.752289 10.38113 
1 1 1  -17    2   53 o  362.801   5.4650  894.046   26.868  897.014   38.071  891.101   37.925  363.401   7.7308  362.201   7.7266 1.199402 10.93006 
1 1 1  -17    2   54 o  341.749   5.3256  793.230   24.662  780.526   34.690  806.213   35.068  338.980   7.5517  344.518   7.5114 -5.537384 10.65129 
1 1 1  -17    2   55 o  156.534   4.7929  166.277   10.157  156.141   14.187  176.938   14.548  151.636   6.9039  161.432   6.6502 -9.795898 9.585887 
1 1 1  -17    2   56 o  173.310   4.7676  203.884   11.195  198.763   15.656  209.243   16.014  171.083   6.7527  175.536   6.7322 -4.453552 9.535280 
1 1 1  -17    2   57 o  296.804   7.0530  599.657   28.356  575.829   39.657  624.583   40.561  290.760   10.065  302.847   9.8833 -12.08710 14.10604 
1 1 1  -17    2   58 o  370.964   6.7588  930.962   32.081  955.637   55.729  918.732   39.234  374.321   10.986  367.608   7.8758 6.713867 13.51765 
1 1 1  -17    2   59 o  235.408   4.8391  376.483   15.436  369.678   21.760  383.376   21.900  233.263   6.8838  237.553   6.8030 -4.289963 9.678203 
1 1 1  -17    2   60 o  169.327   4.8062  194.720   11.019  183.490   15.409  206.470   15.762  164.324   6.9199  174.329   6.6720 -10.00407 9.612478 
1 1 1  -17    2   61 o  230.700   4.8470  361.694   15.153  361.512   21.453  361.875   21.407  230.641   6.8637  230.759   6.8455 -0.1177368 9.693911 
1 1 1  -17    2   62 o  303.633   5.1839  626.760   21.327  613.951   29.921  639.989   30.407  300.478   7.3482  306.788   7.3140 -6.310822 10.36777 
1 1 1  -17    2   63 o  345.491   7.8787  815.693   36.883  832.686   52.406  799.014   51.919  349.073   11.079  341.909   11.205 7.164185 15.75750 
1 1 1  -17    2   64 o  258.048   4.9824  452.673   17.420  441.470   24.405  464.310   24.873  254.792   7.0682  261.305   7.0242 -6.513718 9.964884 
1 1 1  -17    2   65 f  193.859   4.8701  255.525   12.793  250.903   17.987  260.256   18.198  192.083   6.9103  195.635   6.8642 -3.552048 9.740148 
1 1 1  -17    2   66 o  232.266   4.9457  366.953   15.566  371.883   22.044  362.052   21.982  233.827   6.9570  230.706   7.0312 3.121078 9.891326 
1 1 1  -17    2   67 o  306.415   5.2993  638.630   21.996  616.641   30.642  662.006   31.593  300.974   7.5129  311.856   7.4758 -10.88165 10.59867 
1 1 1  -17    2   68 o  345.869   5.4928  814.747   25.745  818.479   36.471  811.040   36.346  346.659   7.7637  345.078   7.7723 1.580994 10.98562 
1 1 1  -17    2   69 o  319.573   5.3230  695.458   23.051  705.627   32.757  685.483   32.443  321.891   7.5096  317.255   7.5462 4.635712 10.64603 
1 1 1  -17    2   70 o  145.033   5.1780  143.227   10.157  131.609   14.204  155.385   14.531  138.992   7.5412  151.073   7.0977 -12.08035 10.35602 
1 1 1  -17    2   71 o  240.011   4.9955  392.232   16.246  399.335   23.137  385.323   22.817  242.156   7.0507  237.865   7.0787 4.291031 9.991025 
1 1 1  -17    2   72 o  113.351   6.9214   90.362   10.102   79.641   16.590   96.679   12.735  107.656   11.372  119.046   7.8938 -11.38931 13.84289 
1 1 1  -17    2   73 o  181.887   6.0278  223.452   14.335  216.382   17.916  236.034   23.899  178.122   7.4224  185.651   9.4996 -7.528763 12.05550 
1 1 1  -17    2   74 o  136.097   5.3668  126.437   9.8947  130.837   14.060  122.120   13.928  138.456   7.4935  133.738   7.6849 4.716965 10.73363 
1 1 1  -17    2   75 o  226.691   5.0281  350.694   15.445  356.476   21.936  345.010   21.750  228.550   7.0825  224.832   7.1388 3.718384 10.05611 
1 1 1  -17    2   76 o  142.935   5.2599  139.604   10.183  145.745   14.531  133.676   14.276  146.040   7.3424  139.831   7.5337 6.208664 10.51989 
1 1 1  -17    2   77 o   53.125   10.956   20.545   8.0603   21.656   9.6816   18.037   14.550   54.645   13.218   51.606   17.476 3.039379 21.91227 
1 1 1  -17    2   78 o   90.567   8.4198   56.321   9.6748   59.393   17.157   54.889   11.715   91.941   13.770   89.192   9.6925 2.748550 16.83951 
1 1 1  -17    2   79 o   88.326   6.5095   53.801   7.7894   55.222   11.172   52.457   10.866   89.459   9.2156   87.194   9.1962 2.265259 13.01908 
1 1 1  -17    2   80 o   47.726   9.5277   16.567   6.4338   16.000   9.1151   17.129   9.0826   46.981   13.562   48.471   13.386 -1.489998 19.05548 
1 1 1  -17    2   81 o  164.633   5.0246  186.084   11.207  180.854   15.723  191.487   15.980  162.268   7.1500  166.998   7.0613 -4.729645 10.04913 
1 1 1  -17    2   82 o  100.355   5.9339   69.739   8.0583   65.646   11.409   73.813   11.383   97.350   8.6485  103.360   8.1269 -6.009918 11.86774 
1 1 1  -17    2   83 o  144.879   5.1708  144.764   10.150  142.247   14.383  147.261   14.326  143.597   7.3915  146.161   7.2327 -2.564041 10.34150 
1 1 1  -17    2   84 o   41.119   9.5088   11.978   6.1197   10.773   8.7687   13.122   8.5448   39.672   13.566   42.566   13.327 -2.893818 19.01752 
1 1 1  -17    2   85 o   85.473   7.4274   48.732   8.2551   62.818   14.355   41.771   10.091   93.882   11.283   77.064   9.6623 16.81712 14.85485 
1 1 1  -17    2   86 o   99.593   8.0296   71.214   10.798   78.072   15.317   64.438   15.226  104.627   10.803   94.559   11.882 10.06806 16.05918 
1 1 1  -17    2   87 o   72.353   9.7411   39.383   9.3289   33.796   13.029   45.259   13.364   65.987   14.920   78.719   12.527 -12.73183 19.48216 
1 1 1  -17    2   88 o   91.944   8.2820   61.599   10.295   56.807   14.499   66.472   14.621   88.094   12.145   95.794   11.263 -7.699387 16.56401 
1 1 1  -17    2   89 o   53.728   16.648   23.329   13.372   23.329   13.372   0.0000   0.0000   53.728   16.648  ?   ?       ?      ? 
1 1 1  -17    3    1 o  386.144   6.4576  998.954   31.872  975.664   38.838  1046.99   55.775  379.376   7.5545  392.911   10.475 -13.53522 12.91516 
1 1 1  -17    3    2 o  612.178   10.456  2542.21   86.697  2596.94  124.969  2491.44  120.378  618.515   14.910  605.840   14.662 12.67487 20.91133 
1 1 1  -17    3    3 o  578.788   10.033  2256.32   78.361  2469.23  117.570  2086.15  105.112  603.154   14.384  554.422   13.990 48.73212 20.06573 
1 1 1  -17    3    4 o  696.815   10.049  3310.17   89.930  3342.12  111.019  3249.20  153.368  701.919   11.671  691.711   16.362 10.20734 20.09795 
1 1 1  -17    3    5 o  751.825   12.372  3839.72  126.053  3836.91  178.355  3842.53  178.176  751.547   17.512  752.102   17.482 -0.5540771 24.74475 
1 1 1  -17    3    6 o  715.081   11.856  3472.11  114.870  3520.23  164.022  3425.79  160.923  719.938   16.812  710.225   16.720 9.712952 23.71101 
1 1 1  -17    3    7 o  564.894   8.4915  2174.48   61.634  2195.77   76.127  2133.98  105.009  569.036   9.8722  560.752   13.819 8.283325 16.98306 
1 1 1  -17    3    8 f  350.162   6.2007  842.521   28.070  870.612   35.132  792.935   46.676  358.378   7.2340  341.946   10.073 16.43127 12.40137 
1 1 1  -17    3    9 o  354.030   6.2148  852.904   28.358  859.973   35.130  839.680   48.046  356.180   7.2782  351.881   10.076 4.299042 12.42953 
1 1 1  -17    3   10 o  567.061   8.5972  2191.89   62.403  2213.63   76.771  2149.54  107.131  571.344   9.9156  562.778   14.047 8.565491 17.19445 
1 1 1  -17    3   11 f  718.225   10.385  3507.84   95.335  3520.63  116.930  3482.48  164.653  720.399   11.978  716.052   16.968 4.346985 20.76998 
1 1 1  -17    3   12 o  751.192   8.7882  3828.11   89.457  3860.63  127.220  3796.30  125.815  754.347   12.445  748.038   12.412 6.308411 17.57643 
1 1 1  -17    3   13 o  691.252   8.1847  3240.67   76.662  3282.58  109.377  3200.19  107.480  695.643   11.603  686.861   11.547 8.782227 16.36943 
1 1 1  -17    3   14 o  565.485   6.9835  2168.37   53.514  2179.85   76.000  2157.08   75.364  566.969   9.8917  564.002   9.8605 2.967041 13.96691 
1 1 1  -17    3   15 o  615.887   7.4580  2571.90   62.237  2611.26   88.914  2534.08   87.146  620.506   10.574  611.269   10.520 9.236816 14.91606 
1 1 1  -17    3   16 o  390.845   5.4504  1034.56   28.854  1071.17   41.581  1000.57   40.071  397.506   7.7191  384.184   7.6969 13.32248 10.90077 
1 1 1  -17    3   17 o  842.440   9.7094  4816.23  110.842  4837.78  157.306  4794.97  156.209  844.310   13.749  840.570   13.714 3.740784 19.41873 
1 1 1  -17    3   18 o  831.001   9.5985  4686.28  108.090  4693.40  153.130  4679.20  152.596  831.629   13.588  830.373   13.561 1.256165 19.19693 
1 1 1  -17    3   19 o  707.526   8.3679  3395.85   80.230  3380.74  113.248  3411.08  113.679  705.946   11.838  709.107   11.830 -3.161133 16.73580 
1 1 1  -17    3   20 o  694.577   10.077  3270.46   89.396  3286.62  155.104  3262.43  109.394  695.660   16.453  693.494   11.640 2.165955 20.15435 
1 1 1  -17    3   21 o  591.180   8.8665  2376.49   67.137  2355.20  115.422  2387.38   82.536  589.043   14.460  593.318   10.265 -4.274658 17.73305 
1 1 1  -17    3   22 f  804.224   11.432  4354.28  116.668  4500.42  206.392  4285.65  141.433  813.743   18.716  794.704   13.133 19.03918 22.86437 
1 1 1  -17    3   23 o  899.501   12.658  5507.58  145.488  5468.16  251.378  5527.44  178.404  896.648   20.688  902.353   14.590 -5.705017 25.31518 
1 1 1  -17    3   24 o  682.024   8.1376  3155.23   75.207  3121.61  105.764  3189.61  106.963  678.350   11.505  685.698   11.511 -7.347778 16.27512 
1 1 1  -17    3   25 o  610.236   7.4441  2525.77   61.559  2519.16   87.052  2532.38   87.064  609.437   10.541  611.036   10.514 -1.599426 14.88828 
1 1 1  -17    3   26 o  563.070   7.0046  2149.71   53.441  2182.10   76.334  2118.57   74.841  567.228   9.9307  558.913   9.8813 8.314941 14.00921 
1 1 1  -17    3   27 o  571.383   7.0860  2214.30   54.867  2210.95   77.643  2217.64   77.545  570.951   10.035  571.815   10.007 -0.8637085 14.17204 
1 1 1  -17    3   28 o  384.530   5.4820  1002.12   28.561  1022.85   40.863  982.325   39.935  388.416   7.7634  380.644   7.7419 7.772186 10.96393 
1 1 1  -17    3   29 o  688.623   10.093  3201.66   88.299  3167.97  107.289  3272.38  155.443  683.292   11.587  693.953   16.529 -10.66107 20.18614 
1 1 1  -17    3   30 o  432.793   7.2869  1277.14   40.223  1290.16   49.310  1251.24   69.536  436.194   8.3420  429.392   11.950 6.802094 14.57373 
1 1 1  -17    3   31 o  475.842   6.2542  1534.70   40.318  1575.03   57.839  1496.59   56.230  481.918   8.8566  469.766   8.8330 12.15271 12.50840 
1 1 1  -17    3   32 o  434.600   5.9109  1280.49   34.807  1304.32   49.714  1257.57   48.749  438.566   8.3650  430.634   8.3537 7.931732 11.82188 
1 1 1  -17    3   33 o  534.326   6.8032  1932.70   49.207  2027.37   71.643  1848.16   67.703  546.684   9.6706  521.969   9.5715 24.71503 13.60643 
1 1 1  -17    3   34 o  529.316   8.2812  1909.16   56.173  1879.06   96.293  1924.68   69.159  525.984   13.510  532.648   9.5814 -6.664551 16.56232 
1 1 1  -17    3   35 o  537.749   8.4436  1991.29   58.387  2056.83   72.638  1871.62   98.150  550.607   9.7350  524.890   13.799 25.71649 16.88719 
1 1 1  -17    3   36 o  572.654   7.1459  2225.15   55.454  2232.57   78.546  2217.77   78.301  573.606   10.105  571.702   10.107 1.904358 14.29179 
1 1 1  -17    3   37 o  480.194   7.6671  1559.40   47.164  1547.77   57.819  1582.53   81.535  477.662   8.9323  482.727   12.464 -5.064697 15.33422 
1 1 1  -17    3   38 o  391.924   6.7613  1029.41   33.907  1004.25   41.354  1081.01   59.230  384.796   7.9306  399.053   10.953 -14.25742 13.52262 
1 1 1  -17    3   39 f  532.183   6.7870  1921.87   48.945  1931.76   69.545  1912.17   68.897  533.538   9.6187  530.829   9.5778 2.709534 13.57401 
1 1 1  -17    3   40 o  388.347   6.8763  1029.10   34.138  1006.84   58.717  1040.47   41.959  385.045   11.253  391.649   7.9058 -6.603577 13.75258 
1 1 1  -17    3   41 o  520.221   8.2060  1833.92   54.417  1851.75   94.882  1825.19   66.428  521.875   13.416  518.568   9.4529 3.306763 16.41209 
1 1 1  -17    3   42 f  377.486   5.5197  966.719   28.235  962.001   39.901  971.451   39.961  376.563   7.8193  378.409   7.7927 -1.846527 11.03932 
1 1 1  -17    3   43 o  305.543   5.0591  633.300   20.946  625.716   29.631  640.876   29.613  303.712   7.1996  307.374   7.1095 -3.661560 10.11822 
1 1 1  -17    3   44 o  350.203   6.5464  833.101   29.242  831.479   50.779  833.906   35.768  349.827   10.712  350.580   7.5288 -0.7535400 13.09276 
1 1 1  -17    3   45 o  198.864   5.7257  267.041   14.503  272.415   25.392  264.440   17.669  200.285   9.3555  197.443   6.6035 2.841797 11.45131 
1 1 1  -17    3   46 o  529.947   8.3820  1904.92   56.481  1894.73   68.776  1926.03   98.985  528.130   9.6098  531.763   13.736 -3.633667 16.76406 
1 1 1  -17    3   47 o  279.304   6.2048  535.637   21.957  546.747   26.825  513.086   38.218  283.858   6.9737  274.749   10.265 9.109253 12.40957 
1 1 1  -17    3   48 o  336.549   5.2610  768.809   23.994  770.066   33.967  767.556   33.898  336.824   7.4418  336.274   7.4387 0.5491943 10.52210 
1 1 1  -17    3   49 o  215.204   4.6983  314.259   13.701  308.504   19.303  320.101   19.449  213.217   6.6808  217.191   6.6079 -3.974304 9.396683 
1 1 1  -17    3   50 o  236.720   4.7599  380.276   15.268  372.591   21.486  388.114   21.698  234.302   6.7671  239.138   6.6957 -4.835312 9.519757 
1 1 1  -17    3   51 o  432.449   5.9958  1270.67   35.137  1268.41   49.689  1272.93   49.693  432.064   8.4866  432.834   8.4720 -0.7706604 11.99155 
1 1 1  -17    3   52 o  511.165   6.6693  1776.70   46.196  1796.89   65.717  1756.98   64.952  514.035   9.4341  508.295   9.4296 5.739380 13.33861 
1 1 1  -17    3   53 o  366.542   5.5095  912.681   27.366  919.789   38.885  905.707   38.520  367.955   7.7984  365.129   7.7849 2.825989 11.01909 
1 1 1  -17    3   54 o  272.278   4.9358  503.452   18.211  499.431   25.763  507.469   25.746  271.189   7.0105  273.368   6.9499 -2.178955 9.871563 
1 1 1  -17    3   55 o  291.884   5.0372  578.666   19.923  570.522   28.096  586.903   28.256  289.816   7.1537  293.953   7.0934 -4.137451 10.07434 
1 1 1  -17    3   56 f  308.315   6.1901  645.141   24.612  641.860   30.410  651.369   41.902  307.364   7.3010  309.265   9.9982 -1.901001 12.38019 
1 1 1  -17    3   57 o  187.556   6.5448  239.482   16.630  237.917   23.749  240.986   23.295  186.944   9.3744  188.168   9.1354 -1.224060 13.08950 
1 1 1  -17    3   58 o  285.154   5.0502  552.550   19.515  547.521   27.596  557.581   27.600  283.852   7.1741  286.455   7.1100 -2.603394 10.10048 
1 1 1  -17    3   59 o  235.599   4.8697  377.164   15.547  376.554   22.083  377.763   21.891  235.406   6.9223  235.791   6.8512 -0.3844910 9.739419 
1 1 1  -17    3   60 o  267.759   4.9930  487.079   18.111  469.751   25.345  505.159   25.889  262.888   7.1144  272.629   7.0075 -9.740753 9.985989 
1 1 1  -17    3   61 o  293.687   5.1444  586.323   20.472  598.267   29.176  574.740   28.732  296.635   7.2579  290.739   7.2927 5.896057 10.28886 
1 1 1  -17    3   62 o  441.535   8.8429  1334.65   52.899  1373.81   75.537  1296.96   74.105  447.912   12.445  435.158   12.567 12.75427 17.68581 
1 1 1  -17    3   63 o  115.815   8.1549   92.072   12.752   98.893   17.792   84.867   18.286  120.298   10.914  111.331   12.120 8.967224 16.30986 
1 1 1  -17    3   64 o  294.065   5.1569  587.584   20.537  616.988   29.575  560.204   28.540  301.168   7.2466  286.961   7.3391 14.20801 10.31385 
1 1 1  -17    3   65 o  310.097   5.2514  654.183   22.065  668.173   31.488  640.688   30.928  313.355   7.4153  306.839   7.4380 6.516663 10.50288 
1 1 1  -17    3   66 o  169.468   5.1118  195.495   11.734  189.253   16.628  201.686   16.561  166.759   7.3582  172.176   7.0977 -5.417191 10.22356 
1 1 1  -17    3   67 o  239.814   4.9784  391.289   16.178  393.282   23.026  389.346   22.734  240.413   7.0678  239.215   7.0131 1.198441 9.956750 
1 1 1  -17    3   68 o  158.123   5.0355  170.157   10.784  178.001   15.352  162.518   15.151  161.731   7.0049  154.514   7.2357 7.216293 10.07098 
1 1 1  -17    3   69 o  194.591   4.9196  257.571   12.964  271.361   18.561  244.436   18.114  199.686   6.8592  189.497   7.0541 10.18910 9.839172 
1 1 1  -17    3   70 f  112.572   5.7036   86.444   8.6975   83.918   12.322   88.953   12.278  110.920   8.1976  114.224   7.9324 -3.303520 11.40718 
1 1 1  -17    3   71 o  114.989   5.7781   90.395   8.9690   80.889   12.630  100.066   12.739  108.840   8.5630  121.139   7.7602 -12.29948 11.55618 
1 1 1  -17    3   72 o   98.109   8.3262   66.141   11.060   69.572   16.019   63.016   15.290  100.538   11.758   95.680   11.792 4.858284 16.65247 
1 1 1  -17    3   73 o  226.353   5.9698  346.559   17.508  337.974   21.655  362.760   29.748  222.625   7.1780  230.082   9.5411 -7.456635 11.93967 
1 1 1  -17    3   74 o  163.046   5.1346  181.449   11.330  169.570   15.907  193.681   16.142  157.599   7.4484  168.494   7.0696 -10.89520 10.26923 
1 1 1  -17    3   75 o   82.207   6.8552   46.471   7.5419   56.486   10.927   37.360   10.422   90.764   8.8842   73.649   10.443 17.11516 13.71044 
1 1 1  -17    3   76 o  148.570   5.2197  150.909   10.508  149.302   14.771  152.556   14.953  147.770   7.3765  149.370   7.3872 -1.599640 10.43949 
1 1 1  -17    3   77 o   94.250   8.7495   66.277   9.7818   72.717   11.942   53.143   17.053  102.898   8.5640   85.603   15.260 17.29588 17.49905 
1 1 1  -17    3   78 o  152.954   6.5490  160.447   12.552  163.616   22.616  159.036   15.090  153.539   10.870  152.369   7.3080 1.169891 13.09791 
1 1 1  -17    3   79 o  158.917   5.1832  172.320   11.091  201.595   16.280  146.963   15.152  171.531   7.0038  146.302   7.6425 25.22952 10.36631 
1 1 1  -17    3   80 o  181.822   5.0390  226.810   12.413  231.029   17.768  222.787   17.350  183.467   7.1466  180.178   7.1058 3.289276 10.07801 
1 1 1  -17    3   81 o   98.514   6.0420   67.143   8.0623   65.773   11.496   68.468   11.310   97.488   8.7019   99.539   8.3845 -2.051323 12.08405 
1 1 1  -17    3   82 o   97.164   6.0564   65.445   7.9741   66.239   11.288   64.655   11.266   97.764   8.5203   96.565   8.6095 1.198868 12.11278 
1 1 1  -17    3   83 o   99.236   6.0173   68.432   8.0884   70.616   11.429   66.240   11.449  100.865   8.3613   97.607   8.6556 3.257980 12.03459 
1 1 1  -17    3   84 o   53.535   10.973   21.707   8.7143   14.669   12.424   28.523   12.226   45.880   16.124   61.190   14.887 -15.31055 21.94530 
1 1 1  -17    3   85 o   42.071   15.265   11.762   11.228   0.0000   0.0000   11.762   11.228  ?   ?    42.071   15.265      ?      ? 
1 1 1  -17    3   86 o   66.170   14.654   33.690   12.794   0.0000   0.0000   33.690   12.794  ?   ?    66.170   14.654      ?      ? 
1 1 1  -17    3   87 f   97.839   8.2076   69.216   10.863   75.067   15.770   63.933   14.986  101.864   11.424   93.814   11.787 8.049217 16.41518 
1 1 1  -17    3   88 o   87.928   8.6356   56.834   10.249   50.923   14.371   62.953   14.620   82.943   12.785   92.913   11.612 -9.969292 17.27122 
1 1 1  -17    3   89 o   94.418   11.626   65.385   14.876   65.385   14.876   0.0000   0.0000   94.418   11.626  ?   ?       ?      ? 
1 1 1  -17    4    1 o  526.416   8.0360  1885.92   54.433  1859.85   92.580  1899.70   67.294  523.533   13.049  529.299   9.3819 -5.765808 16.07193 
1 1 1  -17    4    2 o  453.091   6.7840  1397.43   36.642  1403.37   42.707  1380.84   71.332  455.010   6.9263  451.172   11.667 3.837555 13.56808 
1 1 1  -17    4    3 o  436.879   6.5962  1291.91   34.240  1289.45   39.775  1298.94   67.288  436.156   6.7296  437.602   11.347 -1.446136 13.19231 
1 1 1  -17    4    4 o  462.811   7.3284  1454.56   43.822  1459.03   54.367  1446.27   74.041  463.892   8.6484  461.731   11.833 2.161163 14.65674 
1 1 1  -17    4    5 o  466.857   7.3740  1479.22   44.467  1481.67   55.127  1474.65   75.231  467.477   8.7020  466.237   11.907 1.240295 14.74808 
1 1 1  -17    4    6 o  472.025   6.9865  1516.96   39.220  1523.58   45.654  1498.30   76.621  474.093   7.1061  469.956   12.031 4.136536 13.97302 
1 1 1  -17    4    7 f  720.223   9.7434  3531.94   82.969  3544.19   96.262  3496.53  163.622  722.945   9.8258  717.502   16.828 5.443054 19.48677 
1 1 1  -17    4    8 o  751.463   10.113  3861.54   90.092  3892.67  104.796  3773.39  176.368  757.628   10.207  745.299   17.462 12.32941 20.22681 
1 1 1  -17    4    9 o  747.285   10.077  3826.35   89.449  3866.13  104.224  3715.11  174.278  755.043   10.186  739.528   17.390 15.51471 20.15393 
1 1 1  -17    4   10 o  711.967   9.6625  3461.64   81.536  3485.01   94.801  3395.24  159.821  716.887   9.7584  707.047   16.680 9.839600 19.32502 
1 1 1  -17    4   11 o  480.276   7.2310  1563.60   47.062  1563.60   47.062   0.0000   0.0000  480.276   7.2310  ?   ?       ?      ? 
1 1 1  -17    4   12 o  469.203   7.5075  1483.06   44.728  1464.76   54.294  1521.72   78.904  464.804   8.6199  473.601   12.294 -8.796387 15.01505 
1 1 1  -17    4   13 o  458.203   6.0016  1423.44   37.265  1419.89   52.773  1426.97   52.629  457.633   8.5096  458.774   8.4653 -1.141144 12.00316 
1 1 1  -17    4   14 o  435.453   5.8147  1285.40   34.310  1296.38   48.898  1274.75   48.153  437.284   8.2516  433.623   8.1946 3.661072 11.62936 
1 1 1  -17    4   15 o  456.914   7.2909  1400.19   42.399  1461.18   74.752  1371.26   51.482  464.101   11.886  449.728   8.4474 14.37259 14.58179 
1 1 1  -17    4   16 o  523.482   8.0691  1874.23   54.325  1809.34   91.978  1909.00   67.322  516.369   13.144  530.594   9.3629 -14.22552 16.13815 
1 1 1  -17    4   17 f  757.809   10.837  3907.23  105.156  3873.89  180.900  3924.24  129.232  755.107   17.679  760.510   12.540 -5.403503 21.67425 
1 1 1  -17    4   18 o  630.474   9.3052  2706.26   75.173  2670.04  128.981  2724.89   92.508  627.111   15.177  633.836   10.770 -6.724792 18.61050 
1 1 1  -17    4   19 o  921.016   10.517  5757.72  131.245  5834.90  187.371  5683.38  183.896  927.069   14.914  914.964   14.832 12.10577 21.03366 
1 1 1  -17    4   20 o  987.214   11.201  6618.42  149.852  6617.40  212.059  6619.44  211.786  987.137   15.852  987.292   15.830 -0.1550293 22.40257 
1 1 1  -17    4   21 o  984.996   11.185  6587.75  149.276  6669.31  212.983  6509.00  209.283  990.981   15.860  979.011   15.775 11.97058 22.36907 
1 1 1  -17    4   22 o  779.484   9.1027  4123.18   96.151  4131.61  136.421  4114.86  135.538  780.273   12.902  778.695   12.844 1.577820 18.20534 
1 1 1  -17    4   23 o  470.857   7.6108  1509.88   45.677  1486.08   79.158  1521.76   55.927  467.975   12.482  473.738   8.7116 -5.763580 15.22158 
1 1 1  -17    4   24 o  686.200   8.1729  3194.53   75.998  3171.86  107.129  3217.50  107.830  683.748   11.562  688.651   11.555 -4.902344 16.34584 
1 1 1  -17    4   25 o  528.643   6.6904  1895.18   47.927  1905.82   68.110  1884.75   67.453  530.111   9.4812  527.175   9.4420 2.936401 13.38074 
1 1 1  -17    4   26 o  681.456   8.1409  3150.74   75.176  3167.87  106.726  3133.88  105.910  683.293   11.526  679.619   11.500 3.673950 16.28172 
1 1 1  -17    4   27 o  582.554   7.2028  2302.03   56.861  2302.32   80.545  2301.73   80.284  582.590   10.202  582.517   10.170 0.7299805E-01 14.40552 
1 1 1  -17    4   28 o  269.825   4.7361  493.528   17.316  495.771   24.646  491.341   24.335  270.430   6.7253  269.220   6.6703 1.209747 9.472180 
1 1 1  -17    4   29 o  429.763   7.2301  1240.75   39.332  1219.39   47.555  1287.00   69.977  424.055   8.2755  435.471   11.858 -11.41553 14.46020 
1 1 1  -17    4   30 o  388.452   6.8395  1012.63   33.587  993.809   40.548  1053.79   59.950  382.838   7.8158  394.066   11.226 -11.22830 13.67903 
1 1 1  -17    4   31 o  290.892   4.8547  573.683   19.137  574.243   27.189  573.133   26.940  291.032   6.8938  290.752   6.8373 0.2800293 9.709491 
1 1 1  -17    4   32 o  215.018   4.5527  313.269   13.261  325.412   18.974  301.674   18.541  219.090   6.3906  210.946   6.4860 8.144196 9.105406 
1 1 1  -17    4   33 o  514.746   6.5982  1797.31   46.024  1780.29   64.763  1814.67   65.418  512.284   9.3290  517.207   9.3336 -4.923096 13.19644 
1 1 1  -17    4   34 o  392.532   5.6020  1044.90   29.799  1050.45   42.258  1039.41   42.027  393.569   7.9232  391.494   7.9216 2.074402 11.20403 
1 1 1  -17    4   35 o  523.960   8.1647  1879.41   55.178  1916.23   68.621  1812.05   92.816  531.445   9.5283  516.475   13.261 14.97009 16.32949 
1 1 1  -17    4   36 o  658.718   9.7088  2955.98   82.098  2971.83  101.194  2925.47  140.422  661.618   11.287  655.818   15.800 5.800110 19.41760 
1 1 1  -17    4   37 o  601.912   7.4298  2459.24   60.602  2463.36   85.888  2455.16   85.522  602.412   10.521  601.412   10.494 0.9998779 14.85958 
1 1 1  -17    4   38 o  696.711   8.3459  3296.28   78.787  3340.40  112.505  3253.81  110.368  701.281   11.839  692.142   11.767 9.138672 16.69175 
1 1 1  -17    4   39 o  615.656   9.3023  2570.43   72.989  2594.39  127.292  2558.69   89.090  617.455   15.213  613.858   10.710 3.597717 18.60461 
1 1 1  -17    4   40 o  644.187   11.175  2824.59   97.529  2773.14  136.083  2878.92  139.848  638.172   15.736  650.202   15.872 -12.03033 22.35000 
1 1 1  -17    4   41 o  512.539   8.2035  1790.53   53.678  1801.47   65.803  1768.77   92.799  515.137   9.4262  509.941   13.429 5.195740 16.40702 
1 1 1  -17    4   42 o  686.534   8.2612  3203.64   76.858  3202.23  108.817  3205.04  108.569  686.381   11.699  686.687   11.667 -0.3064575 16.52241 
1 1 1  -17    4   43 o  666.155   9.8860  2993.33   83.626  3101.46  147.790  2942.41  101.424  674.379   16.172  657.930   11.376 16.44885 19.77210 
1 1 1  -17    4   44 o  429.607   5.9729  1252.84   34.770  1230.51   48.990  1275.52   49.357  425.745   8.4913  433.469   8.4025 -7.724609 11.94586 
1 1 1  -17    4   45 o  632.552   7.7541  2720.10   66.463  2751.13   94.629  2689.89   93.370  636.110   10.978  628.995   10.954 7.115234 15.50811 
1 1 1  -17    4   46 o  410.792   7.2380  1162.51   37.980  1195.29   46.864  1099.77   64.831  419.575   8.2422  402.008   11.901 17.56726 14.47610 
1 1 1  -17    4   47 o  384.579   5.6045  1004.18   29.208  1002.12   41.247  1006.25   41.366  384.184   7.9227  384.974   7.9293 -0.7895508 11.20899 
1 1 1  -17    4   48 o  314.026   5.1259  669.211   21.808  648.739   30.593  690.359   31.094  309.140   7.3028  318.911   7.1950 -9.771057 10.25171 
1 1 1  -17    4   49 o  337.581   5.2836  773.708   24.169  762.104   34.041  785.503   34.321  335.026   7.4980  340.135   7.4461 -5.109222 10.56710 
1 1 1  -17    4   50 o  469.491   6.3009  1498.16   40.088  1495.09   56.652  1501.24   56.734  469.009   8.9136  469.973   8.9081 -0.9644775 12.60182 
1 1 1  -17    4   51 o  430.255   5.9870  1258.04   34.908  1257.33   49.373  1258.75   49.360  430.133   8.4704  430.377   8.4634 -0.2442017 11.97403 
1 1 1  -17    4   52 o  503.559   6.5999  1724.31   45.032  1752.17   64.245  1697.40   63.140  507.556   9.3406  499.563   9.3268 7.993652 13.19982 
1 1 1  -17    4   53 o  212.134   4.7388  305.360   13.616  319.179   19.497  292.204   19.024  216.820   6.6357  207.447   6.7671 9.372711 9.477616 
1 1 1  -17    4   54 o  178.909   4.7386  217.353   11.488  217.630   16.288  217.079   16.206  179.022   6.7140  178.797   6.6887 0.2253723 9.477194 
1 1 1  -17    4   55 o  229.427   5.6650  354.576   16.853  346.922   20.874  368.904   28.559  226.007   6.8157  232.846   9.0508 -6.839264 11.33007 
1 1 1  -17    4   56 o  229.756   6.6397  358.672   20.648  373.395   30.124  345.627   28.356  234.182   9.4924  225.330   9.2864 8.852417 13.27940 
1 1 1  -17    4   57 o  189.039   4.8738  243.064   12.470  230.933   17.731  254.934   17.540  184.352   7.0976  193.726   6.6812 -9.374496 9.747532 
1 1 1  -17    4   58 o  291.063   5.0886  575.745   20.070  583.052   28.519  568.575   28.250  292.894   7.1852  289.232   7.2076 3.661835 10.17722 
1 1 1  -17    4   59 o  286.117   5.0835  556.406   19.709  563.754   28.039  549.231   27.710  287.984   7.1847  284.250   7.1937 3.734741 10.16704 
1 1 1  -17    4   60 o  247.164   4.9290  415.213   16.508  417.941   23.490  412.551   23.205  247.964   6.9907  246.364   6.9506 1.599838 9.858015 
1 1 1  -17    4   61 o  175.463   6.0609  210.049   13.551  208.487   23.538  210.823   16.573  174.824   9.9353  176.103   6.9447 -1.279587 12.12184 
1 1 1  -17    4   62 o  393.472   8.3031  1059.28   44.265  1086.09   62.884  1032.95   62.321  398.438   11.647  388.506   11.837 9.931793 16.60616 
1 1 1  -17    4   63 o  269.224   5.0364  492.978   18.374  492.269   26.069  493.678   25.901  269.028   7.1507  269.421   7.0942 -0.3928528 10.07279 
1 1 1  -17    4   64 o  289.359   5.1546  569.674   20.211  563.491   28.572  575.868   28.595  287.781   7.3265  290.936   7.2527 -3.155487 10.30918 
1 1 1  -17    4   65 o  217.886   4.9867  322.824   14.718  335.595   21.039  310.582   20.599  222.113   6.9897  213.660   7.1143 8.452972 9.973417 
1 1 1  -17    4   66 o  162.057   5.0483  178.779   11.082  173.881   15.732  183.604   15.613  159.840   7.2630  164.273   7.0136 -4.432617 10.09665 
1 1 1  -17    4   67 o  232.120   4.9740  366.574   15.633  346.673   21.912  387.206   22.311  225.686   7.1647  238.554   6.9015 -12.86777 9.948035 
1 1 1  -17    4   68 o  158.389   5.0621  170.788   10.865  170.027   15.360  171.551   15.372  158.035   7.1722  158.744   7.1456 -0.7092133 10.12422 
1 1 1  -17    4   69 o  194.225   4.9479  256.830   13.019  264.860   18.482  248.921   18.343  197.250   6.9144  191.201   7.0793 6.048813 9.895724 
1 1 1  -17    4   70 o   94.912   6.2602   61.514   8.0480   58.915   11.271   64.218   11.495   92.858   8.9571   96.966   8.7483 -4.107513 12.52045 
1 1 1  -17    4   71 o  166.531   6.0387  179.367   12.950  222.008   22.983  159.527   15.676  180.114   9.4160  152.948   7.5633 27.16579 12.07747 
1 1 1  -17    4   72 o  303.236   6.3390  622.674   24.776  608.564   30.478  650.167   42.543  298.658   7.5306  307.813   10.199 -9.155273 12.67800 
1 1 1  -17    4   73 o  172.693   5.1348  203.398   12.013  209.187   17.207  197.892   16.781  175.091   7.2518  170.295   7.2715 4.795807 10.26953 
1 1 1  -17    4   74 o  122.762   5.5625  103.049   9.2533  104.364   13.107  101.742   13.066  123.549   7.8284  121.976   7.9045 1.572472 11.12494 
1 1 1  -17    4   75 o  160.053   5.1226  174.806   11.089  159.951   15.389  190.847   15.992  152.957   7.4243  167.149   7.0601 -14.19235 10.24529 
1 1 1  -17    4   76 o  176.138   6.3904  209.552   14.200  203.247   17.078  223.675   25.558  172.364   7.3116  179.912   10.483 -7.548325 12.78087 
1 1 1  -17    4   77 o   97.467   7.8645   63.342   9.6895   73.312   17.658   59.047   11.590  102.371   12.729   92.563   9.2399 9.807091 15.72896 
1 1 1  -17    4   78 o  208.928   6.2915  296.226   16.601  314.124   29.764  288.144   20.000  212.813   10.321  205.043   7.1980 7.770126 12.58293 
1 1 1  -17    4   79 o  141.662   5.2593  137.813   10.093  142.685   14.359  133.055   14.190  144.158   7.3501  139.165   7.5243 4.993240 10.51854 
1 1 1  -17    4   80 o   43.271   10.306   13.005   7.2187   15.561   9.0417   8.5107   11.988   46.258   13.552   40.283   15.530 5.975231 20.61137 
1 1 1  -17    4   81 o   52.217   10.839   19.574   7.8096   22.504   13.649   18.147   9.5224   54.884   16.788   49.550   13.715 5.333836 21.67835 
1 1 1  -17    4   82 o  105.952   5.9064   78.264   8.4265   69.363   12.041   86.808   11.796   99.851   8.8988  112.052   7.7687 -12.20086 11.81276 
1 1 1  -17    4   83 f   96.317   6.1378   64.747   7.9820   58.376   11.260   71.182   11.317   91.418   9.0893  101.216   8.2507 -9.798012 12.27556 
1 1 1  -17    4   84 f   79.278   8.9405   48.587   8.4548   38.824   14.608   53.504   10.368   71.067   15.597   87.490   8.7446 -16.42301 17.88102 
1 1 1  -17    4   85 o   80.842   8.5413   48.514   8.4143   45.436   14.660   50.026   10.276   77.299   14.528   84.385   8.9858 -7.086418 17.08250 
1 1 1  -17    4   86 o  100.532   8.2414   73.306   11.177   65.748   15.794   80.888   15.820   94.981   12.271  106.083   11.005 -11.10172 16.48278 
1 1 1  -17    4   87 o  106.797   8.0278   82.624   11.497   68.170   15.873   98.574   16.674   96.476   12.141  117.118   10.506 -20.64283 16.05551 
1 1 1  -17    4   88 o   47.568   15.751   17.582   11.825   17.582   11.825   0.0000   0.0000   47.568   15.751  ?   ?       ?      ? 
1 1 1  -17    4   89 o   65.162   14.974   33.864   12.945   33.864   12.945   0.0000   0.0000   65.162   14.974  ?   ?       ?      ? 
1 1 1  -17    5    1 o  692.812  10.0000  3298.12   89.642  3398.73  112.227  3120.81  148.992  707.789   11.701  677.834   16.220 29.95435 19.99999 
1 1 1  -17    5    2 o  474.455   7.3856  1519.15   45.003  1503.14   55.274  1550.65   77.511  470.839   8.6630  478.071   11.964 -7.232544 14.77129 
1 1 1  -17    5    3 o  518.596   7.9024  1824.91   52.734  1826.14   65.085  1822.56   89.975  518.943   9.2550  518.249   12.812 0.6940308 15.80483 
1 1 1  -17    5    4 o  556.671   8.3518  2102.92   59.788  2104.20   73.741  2100.46  102.143  557.030   9.7689  556.312   13.549 0.7174683 16.70352 
1 1 1  -17    5    5 o  614.686   10.533  2557.79   87.558  2678.91  128.921  2454.08  119.291  628.134   15.146  601.239   14.641 26.89502 21.06552 
1 1 1  -17    5    6 o  651.847   9.4715  2854.18   78.696  2798.63   95.720  2970.04  138.238  642.332   10.997  661.362   15.424 -19.03064 18.94295 
1 1 1  -17    5    7 o  682.125   9.8493  3116.06   85.423  3039.58  103.537  3279.13  151.177  669.385   11.414  694.865   16.055 -25.47943 19.69853 
1 1 1  -17    5    8 o  681.961   9.8580  3146.14   86.035  3124.88  105.383  3188.65  148.985  678.710   11.458  685.213   16.045 -6.502686 19.71592 
1 1 1  -17    5    9 o  699.082   10.085  3320.34   90.492  3326.56  111.421  3308.31  155.102  700.249   11.742  697.915   16.400 2.333984 20.16963 
1 1 1  -17    5   10 f  671.386   9.1854  3070.30   73.100  3082.61   84.938  3035.12  143.550  674.240   9.2962  668.532   15.845 5.708069 18.37090 
1 1 1  -17    5   11 f  654.922   9.1132  2908.42   80.880  2908.42   80.880   0.0000   0.0000  654.922   9.1132  ?   ?       ?      ? 
1 1 1  -17    5   12 o  593.395   8.4430  2387.37   67.893  2387.37   67.893   0.0000   0.0000  593.395   8.4430  ?   ?       ?      ? 
1 1 1  -17    5   13 o  565.597   7.9557  2110.56   52.449  2056.08   59.998  2287.13  108.014  550.701   8.0396  580.492   13.731 -29.79132 15.91141 
1 1 1  -17    5   14 o  523.656   6.5996  1858.31   46.817  1802.12   65.299  1917.74   67.159  515.515   9.3472  531.797   9.3192 -16.28198 13.19913 
1 1 1  -17    5   15 o  486.031   6.2640  1601.36   41.252  1566.63   57.862  1637.27   58.827  480.672   8.8830  491.391   8.8343 -10.71884 12.52806 
1 1 1  -17    5   16 o  707.820   8.3657  3398.89   80.240  3422.50  114.137  3375.82  112.827  710.247   11.859  705.391   11.803 4.856140 16.73148 
1 1 1  -17    5   17 o  761.259   8.9019  3932.50   91.832  3936.54  130.098  3928.48  129.644  761.648   12.605  760.870   12.574 0.7774048 17.80374 
1 1 1  -17    5   18 o  411.109   5.6383  1145.36   31.403  1110.06   43.938  1182.23   44.899  404.634   8.0130  417.584   7.9343 -12.95026 11.27658 
1 1 1  -17    5   19 o  578.182   7.1313  2267.31   55.874  2255.44   78.911  2279.25   79.126  576.664   10.098  579.700   10.072 -3.036438 14.26261 
1 1 1  -17    5   20 o  671.709   8.0262  3060.71   73.054  3091.82  104.087  3030.50  102.557  675.071   11.378  668.348   11.324 6.723267 16.05242 
1 1 1  -17    5   21 o  615.686   7.4870  2570.98   62.461  2602.53   89.083  2540.47   87.602  619.399   10.613  611.973   10.563 7.425903 14.97397 
1 1 1  -17    5   22 o  870.903   12.306  5100.12  135.545  5309.22  241.684  5004.17  163.717  883.308   20.191  858.498   14.072 24.80994 24.61101 
1 1 1  -17    5   23 o  709.104   10.351  3425.14   93.718  3384.01  161.987  3445.83  114.900  705.618   16.941  712.590   11.899 -6.971985 20.70168 
1 1 1  -17    5   24 o  441.489   5.9342  1321.70   35.502  1321.27   50.330  1322.12   50.087  441.417   8.4138  441.562   8.3706 -0.1445007 11.86838 
1 1 1  -17    5   25 o  770.639   9.0172  4031.31   94.167  4052.69  133.689  4010.25  132.661  772.666   12.768  768.612   12.737 4.053162 18.03449 
1 1 1  -17    5   26 o  968.066   11.028  6368.02  144.669  6379.72  204.908  6356.38  204.280  968.951   15.605  967.180   15.586 1.770935 22.05565 
1 1 1  -17    5   27 o  621.586   7.5697  2620.38   63.747  2678.25   91.382  2565.52   88.970  628.266   10.733  614.907   10.677 13.35895 15.13950 
1 1 1  -17    5   28 o  518.451   8.1719  1821.39   53.904  1815.81   65.705  1832.87   94.268  517.389   9.3713  519.513   13.390 -2.124634 16.34372 
1 1 1  -17    5   29 o  410.245   7.0922  1150.90   37.094  1169.09   45.524  1114.95   63.987  415.202   8.0908  405.288   11.650 9.914795 14.18433 
1 1 1  -17    5   30 o  712.085   8.4579  3439.17   81.576  3549.99  117.619  3336.45  113.238  723.123   12.003  701.047   11.920 22.07593 16.91582 
1 1 1  -17    5   31 o  904.623   10.392  5561.22  127.394  5601.06  181.018  5522.12  179.319  907.829   14.714  901.416   14.680 6.413025 20.78463 
1 1 1  -17    5   32 o  730.440   10.538  3616.56   98.404  3596.39  120.447  3657.05  170.648  727.767   12.213  733.114   17.177 -5.346436 21.07622 
1 1 1  -17    5   33 o  417.218   6.9692  1169.86   37.294  1146.88   45.646  1215.99   64.680  411.209   8.1914  423.226   11.277 -12.01746 13.93847 
1 1 1  -17    5   34 o  574.940   7.1691  2243.12   55.852  2268.33   79.539  2218.60   78.447  578.125   10.153  571.756   10.125 6.369751 14.33817 
1 1 1  -17    5   35 o  381.510   5.5349  987.230   28.615  983.140   40.539  991.292   40.396  380.721   7.8575  382.299   7.7975 -1.578125 11.06981 
1 1 1  -17    5   36 o  428.553   5.8981  1245.96   34.253  1238.38   48.441  1253.53   48.440  427.249   8.3667  429.857   8.3156 -2.607513 11.79621 
1 1 1  -17    5   37 o  616.153   7.5654  2576.32   63.148  2642.93   90.727  2513.72   87.948  623.869   10.732  608.436   10.667 15.43317 15.13087 
1 1 1  -17    5   38 o  635.042   7.7470  2738.99   66.666  2754.05   94.714  2724.20   93.854  636.770   10.976  633.315   10.936 3.454956 15.49403 
1 1 1  -17    5   39 o  337.340   6.4749  773.539   27.725  769.358   48.563  775.560   33.769  336.556   10.648  338.125   7.3699 -1.568817 12.94971 
1 1 1  -17    5   40 o  121.894   6.4002   97.336   9.6622  109.536   18.210   92.556   11.399  126.982   10.582  116.806   7.2015 10.17604 12.80036 
1 1 1  -17    5   41 o  470.980   7.6469  1491.36   45.773  1553.15   80.870  1462.24   55.523  477.855   12.488  464.104   8.8283 13.75116 15.29383 
1 1 1  -17    5   42 o  525.669   8.2973  1896.89   56.038  1822.23   94.925  1936.83   69.427  517.338   13.540  534.000   9.5941 -16.66174 16.59464 
1 1 1  -17    5   43 o  211.320   4.7435  302.867   13.559  278.444   18.946  328.507   19.412  202.582   6.9013  220.057   6.5096 -17.47545 9.486964 
1 1 1  -17    5   44 o  314.783   6.2997  664.133   25.119  697.814   44.760  648.648   30.349  320.404   10.309  309.161   7.2440 11.24316 12.59944 
1 1 1  -17    5   45 o  501.778   9.3709  1714.87   63.705  1762.34   91.150  1669.54   89.072  508.570   13.226  494.987   13.279 13.58310 18.74176 
1 1 1  -17    5   46 o  629.424   9.5292  2694.61   76.341  2682.37   93.079  2719.76  133.438  627.908   10.939  630.940   15.607 -3.031189 19.05846 
1 1 1  -17    5   47 o  436.146   6.0284  1292.25   35.630  1298.54   50.580  1286.06   50.198  437.196   8.5373  435.095   8.5137 2.100983 12.05689 
1 1 1  -17    5   48 o  258.176   4.8761  452.501   17.058  445.215   24.149  459.756   24.097  256.097   6.9586  260.254   6.8325 -4.157257 9.752140 
1 1 1  -17    5   49 o  420.741   5.9057  1202.81   33.671  1192.24   47.511  1213.49   47.726  418.880   8.3698  422.601   8.3338 -3.720917 11.81131 
1 1 1  -17    5   50 o  237.108   4.7942  381.628   15.397  365.696   21.627  398.002   21.926  232.084   6.8767  242.132   6.6821 -10.04816 9.588491 
1 1 1  -17    5   51 o  221.106   4.7442  331.872   14.207  317.207   19.950  346.965   20.238  216.143   6.8110  226.068   6.6061 -9.925003 9.488452 
1 1 1  -17    5   52 o  311.355   5.1546  658.282   21.744  638.679   30.467  678.631   31.041  306.628   7.3323  316.083   7.2469 -9.454346 10.30921 
1 1 1  -17    5   53 o  274.293   4.9501  510.987   18.399  515.986   26.151  506.087   25.891  275.621   7.0015  272.965   6.9995 2.656250 9.900187 
1 1 1  -17    5   54 o  240.775   5.7530  391.075   17.941  383.873   22.208  404.604   30.439  237.726   6.8937  243.823   9.2123 -6.096939 11.50606 
1 1 1  -17    5   55 o  217.530   6.6163  321.555   19.481  334.748   28.398  309.826   26.775  221.726   9.4512  213.334   9.2616 8.392593 13.23263 
1 1 1  -17    5   56 o  203.071   5.8577  282.252   15.206  275.245   26.129  285.840   18.698  201.017   9.5920  205.125   6.7265 -4.107895 11.71546 
1 1 1  -17    5   57 o  424.302   5.9889  1224.88   34.432  1244.68   49.121  1205.75   48.278  427.671   8.4756  420.933   8.4635 6.738403 11.97779 
1 1 1  -17    5   58 o  219.780   4.8517  327.992   14.443  341.863   20.744  314.940   20.122  224.290   6.8249  215.270   6.8975 9.019669 9.703342 
1 1 1  -17    5   59 o  202.678   4.8251  279.213   13.251  277.426   18.826  280.968   18.656  202.031   6.8763  203.326   6.7708 -1.295471 9.650255 
1 1 1  -17    5   60 o  115.836   6.7715   91.438   9.9518   91.652   17.472   91.335   12.108  115.808   11.133  115.864   7.7115 -0.5646515E-01 13.54305 
1 1 1  -17    5   61 o  174.928   7.1979  208.395   17.032  201.129   23.259  216.797   25.011  171.671   9.9978  178.185   10.358 -6.514496 14.39587 
1 1 1  -17    5   62 o   99.583   5.9088   67.439   7.9297   77.617   11.486   58.171   10.961  106.776   7.9380   92.390   8.7548 14.38624 11.81769 
1 1 1  -17    5   63 o  113.440   5.5778   87.637   8.5717   86.829   12.248   88.412   12.000  112.919   8.0044  113.960   7.7703 -1.040649 11.15562 
1 1 1  -17    5   64 o  138.302   5.3748  130.028   10.034  146.431   14.497  114.941   13.903  146.690   7.2928  129.915   7.8972 16.77477 10.74951 
1 1 1  -17    5   65 o   75.917   7.1048   39.289   7.2717   45.100   10.563   34.055   10.026   81.269   9.5914   70.566   10.484 10.70237 14.20957 
1 1 1  -17    5   66 o  151.986   5.1197  157.374   10.531  148.364   14.897  166.376   14.891  147.613   7.4471  156.359   7.0276 -8.745239 10.23948 
1 1 1  -17    5   67 o  101.420   6.1366   70.049   8.2913   88.577   12.151   53.908   11.342  114.009   7.8650   88.831   9.4219 25.17760 12.27314 
1 1 1  -17    5   68 o  178.690   5.0002  217.426   12.106  213.264   17.104  221.604   17.138  176.969   7.1322  180.411   7.0099 -3.442551 10.00036 
1 1 1  -17    5   69 o  221.338   5.0009  333.597   14.980  310.997   20.964  357.176   21.413  213.652   7.2409  229.023   6.8996 -15.37112 10.00170 
1 1 1  -17    5   70 o  246.084   6.1011  407.401   19.196  432.949   33.653  395.079   23.371  251.395   9.8785  240.773   7.1629 10.62183 12.20214 
1 1 1  -17    5   71 o  212.728   5.9524  302.512   16.439  286.836   20.269  332.640   28.099  205.081   7.2933  220.375   9.4091 -15.29330 11.90476 
1 1 1  -17    5   72 o  133.645   6.5493  124.145   11.362  128.893   14.322  116.081   18.663  137.378   7.6930  129.911   10.601 7.466476 13.09852 
1 1 1  -17    5   73 o  211.399   5.0730  305.168   14.529  297.814   20.567  312.494   20.528  208.835   7.2675  213.963   7.0798 -5.127762 10.14592 
1 1 1  -17    5   74 o  148.075   5.2891  149.923   10.605  142.383   14.906  157.653   15.093  144.279   7.6237  151.872   7.3334 -7.592987 10.57828 
1 1 1  -17    5   75 o   53.872   11.165   21.267   8.3065   22.643   9.8501   17.881   15.455   55.859   13.219   51.886   17.998 3.973400 22.33040 
1 1 1  -17    5   76 o  101.396   8.7332   71.463   11.969   78.755   17.555   65.127   16.363  106.247   12.192   96.545   12.507 9.701889 17.46643 
1 1 1  -17    5   77 o  179.910   6.3995  220.581   14.489  230.621   26.060  216.089   17.432  182.263   10.551  177.557   7.2447 4.706512 12.79892 
1 1 1  -17    5   78 o  200.529   5.0581  276.031   13.736  265.912   19.490  286.019   19.363  196.822   7.3072  204.237   6.9960 -7.415588 10.11628 
1 1 1  -17    5   79 o  131.359   7.5791  118.740   13.492  118.740   13.492   0.0000   0.0000  131.359   7.5791  ?   ?       ?      ? 
1 1 1  -17    5   80 o   40.039   9.5730   10.785   6.2550   8.1517   8.9360   13.315   8.7584   36.947   13.585   43.131   13.491 -6.184868 19.14596 
1 1 1  -17    5   81 o   44.350   9.5498   14.329   6.2750   12.992   9.0341   15.575   8.7226   42.698   13.744   46.002   13.263 -3.303707 19.09970 
1 1 1  -17    5   82 f   51.201   9.1127   19.592   6.3567   16.665   9.0400   22.455   8.9403   47.335   13.457   55.068   12.292 -7.733204 18.22546 
1 1 1  -17    5   83 o   59.242   9.9037   27.188   7.5875   23.874   12.935   28.927   9.3685   55.630   16.184   62.854   11.420 -7.223663 19.80732 
1 1 1  -17    5   84 o   57.116   9.4770   26.967   7.5130   13.540   12.581   34.409   9.3664   44.495   16.156   69.737   9.9112 -25.24248 18.95392 
1 1 1  -17    5   85 o   74.191   9.7800   41.617   9.5671   35.731   13.618   47.353   13.444   67.751   15.206   80.631   12.304 -12.88017 19.55995 
1 1 1  -17    5   86 o   52.313   10.792   21.217   8.4954   29.246   12.085   13.372   11.945   61.114   14.758   43.513   15.751 17.60141 21.58500 
1 1 1  -17    5   87 o   71.217   14.056   39.280   13.083   39.280   13.083   0.0000   0.0000   71.217   14.056  ?   ?       ?      ? 
1 1 1  -17    5   88 o   46.844   15.704   17.100   11.748   17.100   11.748   0.0000   0.0000   46.844   15.704  ?   ?       ?      ? 
1 1 1  -17    5   89 o   81.368   12.944   49.886   14.273   49.886   14.273   0.0000   0.0000   81.368   12.944  ?   ?       ?      ? 
1 1 1  -17    6    1 o  347.268   5.1077  813.964   23.981  889.962   35.218  748.259   32.746  362.317   7.1728  332.220   7.2736 30.09726 10.21544 
1 1 1  -17    6    2 o  706.895   8.3670  3389.95   80.139  3338.42  112.135  3443.74  114.570  701.409   11.797  712.381   11.868 -10.97186 16.73405 
1 1 1  -17    6    3 o  694.445   8.2377  3271.23   77.509  3214.64  108.393  3330.44  110.879  688.304   11.621  700.586   11.679 -12.28217 16.47550 
1 1 1  -17    6    4 o  537.587   8.2324  1992.80   57.785  2090.72   73.586  1835.28   93.329  555.206   9.7805  519.968   13.245 35.23822 16.46485 
1 1 1  -17    6    5 o  532.800   13.095  1926.88   94.551   0.0000   0.0000  1926.88   94.551  ?   ?   532.800   13.095      ?      ? 
1 1 1  -17    6    6 o  390.642   6.1047  1005.91   28.270  976.758   32.592  1094.48   56.811  379.601   6.3357  401.683   10.437 -22.08191 12.20933 
1 1 1  -17    6    7 o  317.695   5.5292  691.136   21.302  699.837   25.132  668.935   40.146  321.327   5.7717  314.063   9.4327 7.264160 11.05843 
1 1 1  -17    6    8 o  462.604   7.2694  1418.21   42.800  1358.51   51.729  1547.78   76.209  447.603   8.5281  477.605   11.775 -30.00204 14.53876 
1 1 1  -17    6    9 o  452.263   6.8051  1393.49   36.809  1400.64   42.991  1373.87   71.249  454.546   6.9794  449.979   11.684 4.566681 13.61012 
1 1 1  -17    6   10 o  337.437   5.9997  737.433   25.712  679.363   30.807  870.738   46.677  316.562   7.1815  358.312   9.6130 -41.74924 11.99931 
1 1 1  -17    6   11 f  384.327   6.3348  1001.23   32.992  1001.23   32.992   0.0000   0.0000  384.327   6.3348  ?   ?       ?      ? 
1 1 1  -17    6   12 o  530.460   7.6508  1926.22   48.472  1945.97   56.643  1872.20   93.681  535.740   7.8021  525.181   13.163 10.55939 15.30164 
1 1 1  -17    6   13 o  557.538   7.9400  2124.91   52.777  2142.82   61.585  2075.40  102.411  562.170   8.0840  552.905   13.668 9.264893 15.87993 
1 1 1  -17    6   14 o  676.021   9.2810  3145.55   74.913  3195.63   87.663  3009.97  144.243  686.432   9.4240  665.609   15.992 20.82397 18.56192 
1 1 1  -17    6   15 o  673.634   9.2814  3145.17   75.008  3223.89   88.228  2939.95  142.462  689.456   9.4431  657.812   15.981 31.64441 18.56276 
1 1 1  -17    6   16 o  378.676   7.5801  972.208   38.898   0.0000   0.0000  972.208   38.898  ?   ?   378.676   7.5801      ?      ? 
1 1 1  -17    6   17 o  457.341   6.0412  1417.74   37.433  1380.30   52.354  1456.91   53.542  451.164   8.5631  463.518   8.5240 -12.35339 12.08244 
1 1 1  -17    6   18 o  358.141   7.4689  869.625   36.249  869.625   36.249   0.0000   0.0000  358.141   7.4689  ?   ?       ?      ? 
1 1 1  -17    6   19 o  376.093   5.3833  958.794   27.432  971.757   39.217  946.373   38.386  378.580   7.6442  373.605   7.5820 4.975189 10.76661 
1 1 1  -17    6   20 o  380.607   5.4170  982.208   27.939  976.414   39.496  988.010   39.528  379.483   7.6803  381.731   7.6412 -2.248077 10.83394 
1 1 1  -17    6   21 o  421.110   7.1016  1185.53   37.678  1250.16   67.889  1156.77   45.293  429.194   11.672  413.026   8.0923 16.16849 14.20321 
1 1 1  -17    6   22 o  399.988   6.9310  1086.87   35.172  1080.88   61.670  1089.76   42.819  399.087   11.403  400.889   7.8818 -1.801788 13.86196 
1 1 1  -17    6   23 o  554.930   6.9397  2088.25   52.176  2131.16   74.707  2047.40   72.903  560.491   9.8358  549.369   9.7926 11.12177 13.87941 
1 1 1  -17    6   24 o  393.674   5.5384  1050.84   29.544  1034.06   41.597  1067.93   41.970  390.501   7.8606  396.847   7.8042 -6.346008 11.07676 
1 1 1  -17    6   25 o  430.425   5.8465  1256.42   34.101  1260.53   48.391  1252.37   48.063  431.122   8.2830  429.727   8.2534 1.395386 11.69301 
1 1 1  -17    6   26 o  457.471   6.0796  1419.24   37.686  1436.25   53.699  1402.72   52.903  460.172   8.6112  454.769   8.5844 5.402710 12.15911 
1 1 1  -17    6   27 o  402.835   5.6569  1100.39   30.879  1085.76   43.427  1115.35   43.916  400.127   8.0090  405.542   7.9911 -5.415527 11.31381 
1 1 1  -17    6   28 o  307.236   7.1008  640.043   29.564  640.043   29.564   0.0000   0.0000  307.236   7.1008  ?   ?       ?      ? 
1 1 1  -17    6   29 o  423.695   7.1059  1240.93   39.069  1304.23   49.382  1135.00   63.880  438.510   8.3101  408.879   11.529 29.63132 14.21178 
1 1 1  -17    6   30 o  869.398   12.281  5167.64  137.130  5216.67  169.321  5074.18  233.776  876.072   14.262  862.723   19.996 13.34924 24.56128 
1 1 1  -17    6   31 o  507.093   6.5645  1743.49   45.094  1796.75   64.803  1693.50   62.790  514.594   9.2928  499.591   9.2745 15.00339 13.12903 
1 1 1  -17    6   32 o  430.994   5.9070  1259.90   34.497  1236.85   48.461  1283.58   49.117  426.996   8.3751  434.991   8.3323 -7.995056 11.81397 
1 1 1  -17    6   33 o  255.948   4.7731  444.282   16.553  440.265   23.537  448.214   23.284  254.801   6.8167  257.095   6.6831 -2.294067 9.546222 
1 1 1  -17    6   34 o  374.369   5.4767  950.190   27.777  976.116   39.822  925.622   38.764  379.340   7.7465  369.398   7.7438 9.941559 10.95331 
1 1 1  -17    6   35 o  475.649   6.2856  1535.35   40.514  1537.13   57.496  1533.59   57.097  475.921   8.9151  475.377   8.8633 0.5438538 12.57122 
1 1 1  -17    6   36 o  383.559   5.5462  998.108   28.827  999.586   40.977  996.660   40.560  383.838   7.8779  383.280   7.8090 0.5577698 11.09246 
1 1 1  -17    6   37 o  283.728   4.9058  546.075   18.861  543.447   26.811  548.649   26.537  283.050   6.9898  284.406   6.8855 -1.356049 9.811640 
1 1 1  -17    6   38 o  422.789   8.2753  1213.14   47.412   0.0000   0.0000  1213.14   47.412  ?   ?   422.789   8.2753      ?      ? 
1 1 1  -17    6   39 o  472.374   8.8785  1514.95   56.834   0.0000   0.0000  1514.95   56.834  ?   ?   472.374   8.8785      ?      ? 
1 1 1  -17    6   40 o  368.207   5.4689  920.010   27.286  928.587   38.888  911.692   38.295  369.896   7.7581  366.519   7.7101 3.376617 10.93777 
1 1 1  -17    6   41 o  228.622   4.7016  354.631   14.558  338.778   20.489  370.793   20.688  223.457   6.7661  233.788   6.5300 -10.33066 9.403181 
1 1 1  -17    6   42 f  312.276   5.1093  660.987   21.598  619.041   30.021  705.987   31.095  302.012   7.3353  322.540   7.1141 -20.52835 10.21853 
1 1 1  -17    6   43 o  394.544   5.6737  1056.98   30.334  1047.60   42.916  1066.34   42.882  392.791   8.0626  396.297   7.9849 -3.505707 11.34738 
1 1 1  -17    6   44 o  342.829   6.6219  795.730   28.810  790.153   35.002  807.444   50.729  341.153   7.5711  344.505   10.866 -3.351624 13.24371 
1 1 1  -17    6   45 o  341.163   6.6269  797.072   28.754  808.638   35.199  773.869   49.854  345.105   7.5265  337.221   10.909 7.884186 13.25383 
1 1 1  -17    6   46 o  127.048   5.0928  109.896   8.7225   96.594   12.290  123.396   12.381  119.266   7.6044  134.831   6.7763 -15.56524 10.18551 
1 1 1  -17    6   47 o  244.260   4.7949  405.041   15.868  393.832   22.392  416.347   22.489  240.860   6.8604  247.660   6.7009 -6.800125 9.589891 
1 1 1  -17    6   48 f  178.130   4.7335  215.397   11.423  215.782   16.351  215.030   15.965  178.282   6.7681  177.979   6.6193 0.3031006 9.466902 
1 1 1  -17    6   49 o  191.678   5.8522  251.520   14.212  244.538   24.833  254.921   17.331  189.579   9.6661  193.777   6.6000 -4.198700 11.70441 
1 1 1  -17    6   50 o  281.234   7.1812  538.199   27.358  527.482   38.065  549.650   39.348  278.348   10.092  284.120   10.220 -5.771393 14.36241 
1 1 1  -17    6   51 o  275.593   6.2564  519.737   21.892  525.709   26.735  507.584   38.137  278.200   7.0916  272.986   10.309 5.214417 12.51276 
1 1 1  -17    6   52 o  256.815   5.9224  450.015   19.599  453.439   24.272  443.601   33.222  258.370   6.9324  255.260   9.6042 3.109711 11.84476 
1 1 1  -17    6   53 o  165.283   5.6626  183.514   12.251  177.451   15.328  194.238   20.385  161.616   6.9987  168.949   8.9038 -7.332703 11.32516 
1 1 1  -17    6   54 o   86.449   7.5022   50.296   8.2173   52.839   14.629   49.123   9.9322   87.931   12.277   84.966   8.6261 2.964897 15.00443 
1 1 1  -17    6   55 o  211.704   5.9201  300.152   15.931  318.703   28.261  291.512   19.287  216.279   9.6425  207.129   6.8712 9.150162 11.84023 
1 1 1  -17    6   56 f  357.874   5.4958  871.055   26.651  871.409   37.903  870.709   37.482  357.939   7.8141  357.810   7.7302 0.1291504 10.99165 
1 1 1  -17    6   57 o  231.626   4.8637  364.700   15.263  360.890   21.732  368.408   21.442  230.424   6.9598  232.828   6.7958 -2.404770 9.727404 
1 1 1  -17    6   58 o  190.261   4.8529  245.852   12.507  253.874   18.003  238.370   17.387  193.258   6.8744  187.265   6.8516 5.992188 9.705820 
1 1 1  -17    6   59 o  339.745   6.6042  768.225   28.381  838.837   51.126  736.775   34.120  350.417   10.767  329.072   7.6514 21.34448 13.20838 
1 1 1  -17    6   60 o  369.814   8.0764  934.490   40.450  903.170   56.033  968.576   58.454  363.363   11.379  376.264   11.464 -12.90054 16.15287 
1 1 1  -17    6   61 f  205.187   4.9263  286.238   13.688  271.432   19.174  301.627   19.547  199.765   7.0827  210.609   6.8491 -10.84438 9.852646 
1 1 1  -17    6   62 o  196.544   4.9453  262.354   13.157  280.475   18.991  245.632   18.244  203.070   6.9013  190.019   7.0850 13.05142 9.890639 
1 1 1  -17    6   63 f  264.951   5.1004  477.739   18.310  468.690   25.889  486.796   25.900  262.430   7.2799  267.472   7.1455 -5.042145 10.20071 
1 1 1  -17    6   64 o  230.872   4.9877  362.453   15.582  336.040   21.734  390.389   22.352  222.201   7.2179  239.544   6.8856 -17.34373 9.975473 
1 1 1  -17    6   65 o  154.768   5.1869  162.638   10.843  182.159   15.753  145.062   14.948  163.592   7.1058  145.943   7.5580 17.64900 10.37381 
1 1 1  -17    6   66 o   86.616   6.7305   51.624   7.8409   45.414   11.258   57.475   10.927   81.467   10.198   91.765   8.7868 -10.29765 13.46100 
1 1 1  -17    6   67 o  230.923   5.0356  362.797   15.750  375.843   22.706  350.700   21.865  234.919   7.1326  226.928   7.1102 7.990097 10.07120 
1 1 1  -17    6   68 f  120.738   5.6793   99.575   9.2795   96.621   13.350  102.336   12.908  118.977   8.2798  122.498   7.7757 -3.521034 11.35860 
1 1 1  -17    6   69 o  147.690   6.4169  151.549   12.068  142.121   20.659  156.433   14.869  143.895   10.594  151.485   7.2432 -7.590271 12.83381 
1 1 1  -17    6   70 o  193.812   5.9733  253.180   15.074  244.201   18.719  269.747   25.426  189.211   7.3004  198.413   9.4565 -9.202850 11.94659 
1 1 1  -17    6   71 o   85.538   7.8456   49.125   8.9183   44.259   11.347   56.988   14.425   80.221   10.437   90.854   11.716 -10.63342 15.69115 
1 1 1  -17    6   72 o  116.108   8.0039   91.657   12.493  106.324   19.150   80.790   16.484  124.053   11.392  108.163   11.246 15.89069 16.00774 
1 1 1  -17    6   73 o  165.880   5.2319  187.807   11.749  195.670   17.094  180.766   16.175  169.153   7.4572  162.606   7.3404 6.546753 10.46381 
1 1 1  -17    6   74 o   57.870   11.236   22.088   8.4234   18.330   9.9381   31.675   15.873   50.345   14.039   65.396   17.547 -15.05079 22.47152 
1 1 1  -17    6   75 o   75.189   7.4563   39.206   7.5739   43.069   10.788   35.452   10.635   78.915   10.088   71.463   10.982 7.451454 14.91257 
1 1 1  -17    6   76 o  132.516   6.6633  115.708   11.077  136.462   20.559  107.219   13.149  140.082   10.830  124.950   7.7653 15.13122 13.32666 
1 1 1  -17    6   77 o   62.891   8.3985   28.481   6.9602   24.483   10.057   32.157   9.6426   57.811   13.136   67.970   10.469 -10.15948 16.79706 
1 1 1  -17    6   78 o   91.670   6.3518   58.131   7.8085   69.834   11.346   47.601   10.763  100.565   8.3258   82.774   9.5949 17.79135 12.70358 
1 1 1  -17    6   79 o   74.046   7.0745   38.598   7.0206   32.592   10.015   44.401   9.8443   68.142   10.846   79.949   9.0863 -11.80637 14.14896 
1 1 1  -17    6   80 o   80.202   6.7053   44.783   7.2705   49.302   10.562   40.714   10.023   84.090   9.2688   76.315   9.6919 7.774887 13.41058 
1 1 1  -17    6   81 o  127.794   5.3728  113.317   9.2722  103.088   13.152  123.426   13.075  121.914   7.9605  133.673   7.2177 -11.75970 10.74551 
1 1 1  -17    6   82 o  138.330   6.3470  134.003   11.255  133.741   19.286  134.137   13.859  137.497   10.350  139.164   7.3490 -1.667587 12.69408 
1 1 1  -17    6   83 o   89.720   7.3704   54.455   8.5661   66.882   14.962   48.395   10.448   96.535   11.437   82.906   9.2997 13.62914 14.74082 
1 1 1  -17    6   84 o   76.656   8.8057   45.106   8.2824   37.836   13.824   49.177   10.344   69.837   15.051   83.475   9.1447 -13.63779 17.61136 
1 1 1  -17    6   85 o   74.915   9.7718   42.640   9.6742   39.849   14.002   45.190   13.382   71.474   14.937   78.355   12.603 -6.880951 19.54370 
1 1 1  -17    6   86 o  111.031   11.267   89.758   16.952   89.758   16.952   0.0000   0.0000  111.031   11.267  ?   ?       ?      ? 
1 1 1  -17    6   87 o   56.357   15.907   25.809   12.680   25.809   12.680   0.0000   0.0000   56.357   15.907  ?   ?       ?      ? 
1 1 1  -17    6   88 o  104.591   11.688   80.892   16.566   80.892   16.566   0.0000   0.0000  104.591   11.688  ?   ?       ?      ? 
1 1 1  -17    7    1 o  491.207   8.9364  1636.56   59.486  1636.56   59.486   0.0000   0.0000  491.207   8.9364  ?   ?       ?      ? 
1 1 1  -17    7    2 o  175.042   4.2407  207.643   10.057  210.231   14.407  205.183   14.045  176.105   6.0371  173.979   5.9571 2.126099 8.481421 
1 1 1  -17    7    3 o  262.799   4.6028  467.462   16.378  493.287   23.678  443.771   22.679  269.748   6.4774  255.850   6.5411 13.89775 9.205628 
1 1 1  -17    7    4 o  209.528   9.5318  297.804   27.064  297.804   27.064   0.0000   0.0000  209.528   9.5318  ?   ?       ?      ? 
1 1 1  -17    7    5 o  391.123   6.3486  1090.75   30.388  1174.88   36.745  908.714   54.050  416.300   6.5135  365.946   10.899 50.35400 12.69727 
1 1 1  -17    7    6 o  386.673   6.4230  972.892   31.525  903.754   37.800  1130.85   57.134  365.083   7.6404  408.263   10.327 -43.17905 12.84608 
1 1 1  -17    7    7 f  352.772   5.7938  836.015   24.585  826.941   28.693  861.067   47.678  349.271   6.0623  356.272   9.8753 -7.000824 11.58761 
1 1 1  -17    7    8 o  477.760   6.9941  1488.28   38.999  1433.77   44.534  1667.60   80.770  459.861   7.1464  495.660   12.025 -35.79929 13.98823 
1 1 1  -17    7    9 o  440.545   6.8099  1369.28   36.468  1444.39   43.605  1194.52   66.517  461.568   6.9714  419.522   11.700 42.04535 13.61971 
1 1 1  -17    7   10 o  334.851   7.1389  760.199   32.394  760.199   32.394   0.0000   0.0000  334.851   7.1389  ?   ?       ?      ? 
1 1 1  -17    7   11 o  372.618   6.0576  955.321   27.288  972.587   32.181  911.132   51.482  378.776   6.2695  366.460   10.367 12.31628 12.11522 
1 1 1  -17    7   12 o  441.083   6.6115  1253.65   33.942  1195.70   38.631  1449.82   71.076  419.962   6.7881  462.203   11.348 -42.24100 13.22302 
1 1 1  -17    7   13 o  204.064   4.9202  291.570   12.414  306.456   14.997  259.174   22.124  212.635   5.2047  195.492   8.3513 17.14227 9.840366 
1 1 1  -17    7   14 o  278.044   5.1308  496.168   17.173  466.246   19.842  585.494   34.283  262.268   5.5827  293.820   8.6102 -31.55173 10.26167 
1 1 1  -17    7   15 o  186.412   4.6286  223.920   10.783  207.298   12.750  265.673   20.207  174.880   5.3800  197.943   7.5334 -23.06239 9.257187 
1 1 1  -17    7   16 o  472.868   7.1502  1573.43   41.079  1652.50   49.037  1387.37   75.221  493.678   7.3299  452.059   12.279 41.61917 14.30032 
1 1 1  -17    7   17 o  434.430   6.6368  1262.93   34.277  1244.64   39.709  1316.40   67.893  428.462   6.8390  440.399   11.376 -11.93762 13.27355 
1 1 1  -17    7   18 o  484.202   7.3308  1665.67   43.308  1778.73   52.115  1413.34   77.857  512.171   7.5087  456.232   12.593 55.93829 14.66165 
1 1 1  -17    7   19 f  514.968   6.5562  1798.94   45.752  1801.74   64.881  1796.17   64.527  515.365   9.2900  514.570   9.2536 0.7951050 13.11237 
1 1 1  -17    7   20 o  487.007   7.7815  1597.39   47.931  1643.89   85.246  1575.89   57.960  492.009   12.786  482.005   8.8735 10.00369 15.56306 
1 1 1  -17    7   21 o  243.064   5.7771  402.700   17.573  395.387   31.503  406.003   21.174  241.410   9.6298  244.718   6.3849 -3.307968 11.55422 
1 1 1  -17    7   22 o  312.125   5.8665  645.657   23.566  614.913   28.778  708.236   41.058  301.147   7.0519  323.104   9.3772 -21.95795 11.73291 
1 1 1  -17    7   23 o  345.956   6.2678  821.003   28.160  845.371   35.404  779.034   46.462  353.082   7.3993  338.829   10.119 14.25269 12.53565 
1 1 1  -17    7   24 o  480.508   7.5603  1528.95   46.145  1462.34   55.651  1675.51   82.550  464.297   8.8450  496.719   12.264 -32.42245 15.12064 
1 1 1  -17    7   25 o  319.484   6.0459  699.046   25.113  717.010   31.582  668.158   41.413  325.173   7.1671  313.795   9.7388 11.37796 12.09175 
1 1 1  -17    7   26 f  308.026   6.2243  636.757   24.185  625.110   29.145  662.514   43.341  303.618   7.0837  312.434   10.237 -8.815887 12.44863 
1 1 1  -17    7   27 o  325.469   6.3393  713.127   26.112  703.333   31.591  734.248   46.392  322.044   7.2389  328.894   10.409 -6.849548 12.67859 
1 1 1  -17    7   28 o  417.510   5.7746  1181.78   32.662  1213.07   46.873  1152.24   45.538  422.879   8.1795  412.142   8.1534 10.73672 11.54912 
1 1 1  -17    7   29 o  432.631   5.9021  1269.56   34.599  1286.75   49.358  1252.96   48.513  435.508   8.3634  429.755   8.3302 5.753357 11.80418 
1 1 1  -17    7   30 o  309.073   5.0025  647.800   20.949  632.183   29.477  663.738   29.779  305.307   7.1246  312.838   7.0244 -7.530884 10.00510 
1 1 1  -17    7   31 o  572.808   7.1439  2225.66   55.427  2294.34   79.903  2161.96   76.951  581.313   10.143  564.302   10.063 17.01135 14.28787 
1 1 1  -17    7   32 o  424.638   5.8523  1223.04   33.669  1188.15   47.128  1259.41   48.116  418.452   8.3110  430.824   8.2416 -12.37231 11.70455 
1 1 1  -17    7   33 o  294.825   4.9405  589.354   19.735  601.380   28.261  577.908   27.570  297.758   7.0038  291.891   6.9699 5.866974 9.880984 
1 1 1  -17    7   34 f  377.904   5.5257  969.081   28.294  952.128   40.001  986.055   40.028  374.592   7.8801  381.216   7.7483 -6.624542 11.05133 
1 1 1  -17    7   35 o  270.691   5.7837  484.069   19.935  535.529   35.562  460.490   24.072  280.835   9.3445  260.547   6.8178 20.28741 11.56731 
1 1 1  -17    7   36 o  358.208   6.5361  875.528   29.992  858.364   51.400  884.389   36.931  355.401   10.672  361.014   7.5488 -5.613403 13.07226 
1 1 1  -17    7   37 o  445.653   7.4724  1336.41   42.093  1386.91   75.087  1313.27   50.831  451.493   12.272  439.813   8.5287 11.68054 14.94487 
1 1 1  -17    7   38 o  327.726   6.4131  728.146   26.603  733.196   46.992  725.765   32.272  328.422   10.559  327.030   7.2821 1.391937 12.82622 
1 1 1  -17    7   39 o  160.885   4.6889  175.663   10.216  174.265   14.680  176.976   14.227  160.260   6.7594  161.510   6.5002 -1.250305 9.377780 
1 1 1  -17    7   40 o  205.670   4.6575  286.970   12.952  261.840   18.100  313.344   18.542  196.434   6.7996  214.906   6.3668 -18.47241 9.315086 
1 1 1  -17    7   41 o  287.154   4.9661  559.606   19.320  542.852   27.187  576.698   27.460  282.808   7.0940  291.501   6.9515 -8.692902 9.932207 
1 1 1  -17    7   42 o  188.856   4.7097  241.525   12.040  256.372   17.487  228.143   16.602  194.364   6.6392  183.349   6.6818 11.01459 9.419400 
1 1 1  -17    7   43 o  220.725   5.9846  331.797   16.701  333.224   20.278  328.786   29.445  221.573   6.7534  219.877   9.8820 1.696548 11.96928 
1 1 1  -17    7   44 o  341.299   6.6118  792.608   28.681  793.760   34.969  790.241   50.132  341.883   7.5479  340.714   10.858 1.169373 13.22364 
1 1 1  -17    7   45 o  180.134   4.7200  220.215   11.516  221.798   16.580  218.740   16.007  180.755   6.7689  179.513   6.5801 1.241379 9.440073 
1 1 1  -17    7   46 o  183.596   4.6903  229.028   11.658  219.022   16.563  238.852   16.412  179.610   6.8052  187.583   6.4565 -7.973389 9.380667 
1 1 1  -17    7   47 o  173.234   4.7348  203.709   11.110  205.182   15.985  202.333   15.452  173.835   6.7856  172.633   6.6053 1.201782 9.469624 
1 1 1  -17    7   48 o  157.753   4.8050  168.764   10.265  175.918   14.844  162.207   14.210  160.953   6.8057  154.554   6.7849 6.398346 9.609962 
1 1 1  -17    7   49 o  205.930   4.7348  287.864   13.209  292.582   18.965  283.420   18.408  207.564   6.7424  204.295   6.6493 3.269119 9.469566 
1 1 1  -17    7   50 o  146.376   5.6706  142.340   10.913  132.853   13.661  159.074   18.143  139.836   7.2089  152.916   8.7554 -13.07983 11.34127 
1 1 1  -17    7   51 o  227.421   5.7347  354.280   16.970  361.237   21.331  342.287   28.008  230.604   6.8261  224.238   9.2170 6.365128 11.46940 
1 1 1  -17    7   52 o  283.210   5.0468  544.492   19.359  562.880   27.937  527.507   26.850  287.802   7.1631  278.618   7.1114 9.183929 10.09366 
1 1 1  -17    7   53 o  432.266   7.4413  1274.38   40.907  1274.64   71.452  1274.25   49.892  431.805   12.211  432.726   8.5082 -0.9202271 14.88267 
1 1 1  -17    7   54 o  139.131   6.2700  132.518   10.944  129.900   19.514  133.719   13.218  137.993   10.435  140.270   6.9536 -2.277512 12.53995 
1 1 1  -17    7   55 o  119.434   6.3935   94.242   9.7483  105.812   17.347   88.901   11.785  124.538   10.278  114.330   7.6067 10.20869 12.78706 
1 1 1  -17    7   56 o  119.907   6.8880   98.459   10.482   99.244   12.785   96.850   18.304  120.775   7.8118  119.038   11.347 1.737427 13.77594 
1 1 1  -17    7   57 o  135.817   6.5621  124.607   11.443  122.251   14.026  129.298   19.788  134.041   7.7215  137.594   10.613 -3.553268 13.12428 
1 1 1  -17    7   58 o  153.979   6.2496  156.850   12.193  174.810   21.988  148.875   14.652  160.019   10.140  147.939   7.3083 12.07941 12.49921 
1 1 1  -17    7   59 o  209.917   6.1979  304.262   16.541  312.167   20.309  288.683   28.511  214.243   6.9951  205.592   10.233 8.651794 12.39579 
1 1 1  -17    7   60 o  147.168   5.1795  146.740   10.300  163.318   15.081  132.248   14.100  154.936   7.1828  139.399   7.4642 15.53725 10.35895 
1 1 1  -17    7   61 o  271.164   5.1296  500.464   18.846  492.483   26.752  508.326   26.554  269.004   7.3386  273.324   7.1690 -4.320129 10.25916 
1 1 1  -17    7   62 o  261.800   5.0775  466.179   18.008  476.810   25.870  456.186   25.082  264.688   7.2125  258.911   7.1486 5.777344 10.15494 
1 1 1  -17    7   63 o  259.342   5.0666  457.890   17.802  446.912   25.203  468.822   25.149  256.224   7.2586  262.461   7.0708 -6.236847 10.13327 
1 1 1  -17    7   64 o   79.862   7.2549   43.883   7.8032   39.066   11.180   48.459   10.896   75.512   10.925   84.212   9.5483 -8.699783 14.50975 
1 1 1  -17    7   65 o  347.115   5.5288  821.194   26.003  828.119   37.129  814.527   36.430  348.539   7.8610  345.690   7.7766 2.849701 11.05757 
1 1 1  -17    7   66 o  293.803   5.2636  588.346   20.954  581.837   29.758  594.747   29.510  292.174   7.5160  295.431   7.3710 -3.256989 10.52720 
1 1 1  -17    7   67 o  381.173   7.0930  1013.31   35.250  1067.90   44.896  925.564   56.919  395.443   8.3779  366.904   11.448 28.53888 14.18593 
1 1 1  -17    7   68 o  284.149   7.4337  550.742   28.624   0.0000   0.0000  550.742   28.624  ?   ?   284.149   7.4337      ?      ? 
1 1 1  -17    7   69 o  181.823   5.9532  219.293   14.197  200.956   17.662  252.768   23.864  171.563   7.5969  192.082   9.1678 -20.51851 11.90636 
1 1 1  -17    7   70 o  139.555   6.4737  136.689   11.808  147.629   15.221  120.150   18.714  146.988   7.6413  132.123   10.452 14.86514 12.94741 
1 1 1  -17    7   71 o  203.643   5.0529  283.345   13.936  280.975   20.004  285.579   19.426  202.785   7.2794  204.502   7.0099 -1.717010 10.10587 
1 1 1  -17    7   72 o  132.804   5.5240  120.590   9.9322  125.091   14.431  116.538   13.691  135.143   7.8799  130.465   7.7437 4.678085 11.04797 
1 1 1  -17    7   73 o  202.758   6.3429  278.342   16.300  270.368   19.692  295.693   29.048  198.738   7.3118  206.777   10.367 -8.039597 12.68576 
1 1 1  -17    7   74 o   63.725   8.7941   29.238   7.3106   30.574   10.706   28.071   10.006   65.074   12.596   62.376   12.275 2.698021 17.58815 
1 1 1  -17    7   75 o   78.595   9.2693   45.472   8.6466   41.118   15.743   47.353   10.347   74.412   16.081   82.778   9.2239 -8.365829 18.53852 
1 1 1  -17    7   76 o  185.363   5.0662  236.090   12.709  231.583   18.344  240.251   17.624  183.588   7.3734  187.137   6.9496 -3.549118 10.13233 
1 1 1  -17    7   77 o  130.299   5.4566  116.676   9.6169  122.095   14.137  112.008   13.120  133.072   7.8395  127.525   7.5922 5.547012 10.91325 
1 1 1  -17    7   78 o   50.954   8.9877   18.387   6.5279   29.232   9.7792   9.6710   8.7672   63.395   11.818   38.513   13.544 24.88185 17.97545 
1 1 1  -17    7   79 o   35.911   9.2449   7.6190   6.0511   3.1994   9.0568   11.183   8.1328   31.917   13.094   39.905   13.055 -7.987560 18.48973 
1 1 1  -17    7   80 o   48.148   9.1299   17.066   6.2066   22.327   9.0221   12.340   8.5517   54.810   12.433   41.486   13.374 13.32447 18.25975 
1 1 1  -17    7   81 f   71.568   8.7108   34.263   7.8832   48.046   14.168   28.083   9.4873   81.415   12.842   61.720   11.773 19.69542 17.42153 
1 1 1  -17    7   82 o   94.847   7.8169   68.607   9.0700   52.703   15.509   76.873   11.181   84.674   13.516  105.020   7.8568 -20.34547 15.63379 
1 1 1  -17    7   83 o   74.058   8.3822   37.852   8.0685   47.030   13.991   33.279   9.8761   79.990   12.908   68.126   10.698 11.86361 16.76441 
1 1 1  -17    7   84 o   82.116   9.5015   51.762   10.052   40.988   14.633   61.387   13.832   72.130   15.437   92.102   11.082 -19.97124 19.00305 
1 1 1  -17    7   85 o  108.475   11.171   85.668   16.421   85.668   16.421   0.0000   0.0000  108.475   11.171  ?   ?       ?      ? 
1 1 1  -17    7   86 o   71.092   14.486   39.774   13.482   39.774   13.482   0.0000   0.0000   71.092   14.486  ?   ?       ?      ? 
1 1 1  -17    7   87 o   37.670   14.976   8.1183   11.441   8.1183   11.441   0.0000   0.0000   37.670   14.976  ?   ?       ?      ? 
1 1 1  -17    7   88 o   55.603   16.181   25.728   12.928   25.728   12.928   0.0000   0.0000   55.603   16.181  ?   ?       ?      ? 
1 1 1  -17    8    1 f  374.867   6.4739  970.565   31.575  888.553   51.334  1020.48   40.047  361.825   10.469  387.910   7.6182 -26.08487 12.94778 
1 1 1  -17    8    2 o  631.989   10.878  2711.15   93.167   0.0000   0.0000  2711.15   93.167  ?   ?   631.989   10.878      ?      ? 
1 1 1  -17    8    3 o  527.529   9.4642  1888.12   67.657   0.0000   0.0000  1888.12   67.657  ?   ?   527.529   9.4642      ?      ? 
1 1 1  -17    8    4 o  580.870   8.6873  2253.51   64.186  2400.06  113.809  2185.16   77.727  594.280   14.132  567.460   10.108 26.81946 17.37465 
1 1 1  -17    8    5 o  887.248   12.470  5397.09  142.498  5231.62  240.712  5486.36  176.808  876.051   20.276  898.445   14.522 -22.39410 24.94012 
1 1 1  -17    8    6 o  750.917   10.729  3849.75  103.651  3885.97  128.203  3781.38  176.126  756.443   12.507  745.390   17.436 11.05371 21.45794 
1 1 1  -17    8    7 o  562.189   8.4863  2178.34   61.920  2266.14   78.033  2029.06  101.751  577.900   9.9642  546.479   13.740 31.42084 16.97258 
1 1 1  -17    8    8 o  396.913   7.8306  1068.40   42.119  1068.40   42.119   0.0000   0.0000  396.913   7.8306  ?   ?       ?      ? 
1 1 1  -17    8    9 o  394.006   7.8012  1052.80   41.653  1052.80   41.653   0.0000   0.0000  394.006   7.8012  ?   ?       ?      ? 
1 1 1  -17    8   10 o  585.224   8.7153  2316.02   65.393  2296.04   80.217  2355.62  112.910  581.682   10.176  588.766   14.152 -7.084839 17.43068 
1 1 1  -17    8   11 o  773.964   11.006  4054.74  108.842  4018.30  133.049  4128.48  189.249  769.178   12.764  778.750   17.933 -9.571472 22.01187 
1 1 1  -17    8   12 o  846.781   12.005  4978.15  132.407  5280.61  168.698  4492.90  213.678  881.512   14.122  812.051   19.418 69.46094 24.00991 
1 1 1  -17    8   13 o  617.385   9.0748  2482.56   70.036  2328.26   83.010  2863.75  130.469  585.715   10.458  649.056   14.834 -63.34064 18.14964 
1 1 1  -17    8   14 o  495.396   7.8114  1705.48   50.481  1834.83   64.754  1505.07   80.602  520.052   9.1883  470.740   12.635 49.31140 15.62280 
1 1 1  -17    8   15 o  719.131   10.323  3349.90   92.102  3126.83  108.446  3927.19  174.460  678.605   11.793  759.658   16.947 -81.05310 20.64637 
1 1 1  -17    8   16 o  365.524   6.4477  923.094   30.703  972.914   39.039  842.303   49.713  378.763   7.6058  352.286   10.413 26.47708 12.89532 
1 1 1  -17    8   17 o  626.255   9.2231  2632.18   73.574  2572.09   89.367  2758.57  129.611  615.568   10.713  636.941   15.016 -21.37305 18.44616 
1 1 1  -17    8   18 o  554.900   7.9918  2129.08   53.333  2176.33   62.774  2006.46  101.120  566.441   8.1779  543.359   13.733 23.08221 15.98365 
1 1 1  -17    8   19 o  415.139   7.0190  1186.26   38.189  1240.88   48.848  1100.39   61.246  427.699   8.4281  402.580   11.226 25.11899 14.03799 
1 1 1  -17    8   20 o  336.073   5.8613  782.849   24.016  805.758   28.560  727.535   44.379  344.739   6.1134  327.408   10.002 17.33154 11.72267 
1 1 1  -17    8   21 o  470.968   7.5083  1516.51   45.721  1542.47   56.980  1469.60   76.612  476.807   8.8186  465.129   12.155 11.67755 15.01668 
1 1 1  -17    8   22 o  506.356   6.5148  1738.06   44.680  1674.48   62.059  1806.49   64.381  496.751   9.2190  515.962   9.2078 -19.21146 13.02966 
1 1 1  -17    8   23 o  261.014   4.6846  461.065   16.553  486.788   24.028  437.827   22.837  267.930   6.6177  254.098   6.6322 13.83167 9.369113 
1 1 1  -17    8   24 o  234.118   4.5718  371.631   14.489  348.444   20.311  395.656   20.674  226.679   6.6119  241.557   6.3158 -14.87794 9.143654 
1 1 1  -17    8   25 o  173.471   5.7657  202.582   12.578  199.984   15.137  208.377   22.608  171.729   6.5045  175.213   9.5218 -3.483978 11.53139 
1 1 1  -17    8   26 o  252.127   5.9639  440.392   19.022  458.042   23.333  405.417   32.845  259.887   6.6253  244.367   9.9185 15.51929 11.92773 
1 1 1  -17    8   27 o  141.487   4.6224  136.053   8.8430  129.474   12.726  142.196   12.297  138.167   6.7969  144.807   6.2664 -6.639938 9.244768 
1 1 1  -17    8   28 o  150.821   4.5939  154.083   9.3806  158.448   13.621  150.146   12.938  152.848   6.5761  148.793   6.4163 4.054886 9.187727 
1 1 1  -17    8   29 o  195.549   4.5399  258.396   12.008  279.047   17.587  240.359   16.436  202.842   6.3980  188.255   6.4427 14.58717 9.079817 
1 1 1  -17    8   30 o  277.447   5.7978  512.661   20.530  551.135   36.235  494.470   24.916  284.902   9.3853  269.993   6.8099 14.90878 11.59557 
1 1 1  -17    8   31 o  373.865   10.789  949.838   54.664  949.838   54.664   0.0000   0.0000  373.865   10.789  ?   ?       ?      ? 
1 1 1  -17    8   32 o  280.960   9.5797  536.155   36.474  536.155   36.474   0.0000   0.0000  280.960   9.5797  ?   ?       ?      ? 
1 1 1  -17    8   33 o  285.661   4.9227  553.683   19.042  526.378   26.779  581.612   27.083  278.529   7.0949  292.793   6.8259 -14.26395 9.845343 
1 1 1  -17    8   34 o  341.638   5.2623  790.405   24.336  833.542   35.393  751.716   33.518  350.460   7.4523  332.815   7.4317 17.64450 10.52462 
1 1 1  -17    8   35 o  346.264   5.2912  812.990   24.810  771.073   34.548  857.629   35.652  337.050   7.5639  355.478   7.4010 -18.42758 10.58240 
1 1 1  -17    8   36 o  160.551   5.8436  170.146   11.673  187.324   21.721  163.171   13.842  166.026   9.6544  155.076   6.5867 10.95000 11.68727 
1 1 1  -17    8   37 o  113.873   5.0897   87.961   7.8428   88.936   11.429   87.093   10.782  114.464   7.3678  113.281   7.0239 1.182777 10.17938 
1 1 1  -17    8   38 o  189.061   4.6143  242.409   11.816  246.955   17.027  238.186   16.412  190.767   6.5863  187.354   6.4643 3.412338 9.228615 
1 1 1  -17    8   39 o  196.830   4.6494  263.091   12.386  247.487   17.482  278.820   17.552  190.957   6.7556  202.703   6.3898 -11.74600 9.298820 
1 1 1  -17    8   40 o  275.302   4.8964  514.601   18.260  498.287   25.818  530.931   25.831  270.927   7.0320  279.677   6.8155 -8.749939 9.792883 
1 1 1  -17    8   41 o  295.346   5.0084  592.274   20.043  587.741   28.472  596.728   28.220  294.221   7.1411  296.472   7.0241 -2.250885 10.01671 
1 1 1  -17    8   42 o  191.037   5.9104  244.897   14.291  239.505   17.259  256.654   25.487  187.829   6.7808  194.245   9.6825 -6.415039 11.82074 
1 1 1  -17    8   43 o  123.471   5.1473  103.567   8.6002  102.903   12.478  104.167   11.870  123.086   7.4809  123.856   7.0720 -0.7699966 10.29454 
1 1 1  -17    8   44 o  314.678   5.1557  672.515   21.981  674.974   31.430  670.161   30.753  315.234   7.3575  314.122   7.2245 1.111969 10.31147 
1 1 1  -17    8   45 o  183.340   4.7066  228.189   11.689  229.796   16.790  226.679   16.283  183.962   6.7352  182.719   6.5761 1.242889 9.413225 
1 1 1  -17    8   46 o  146.888   4.8954  145.651   9.6988  167.145   14.289  127.287   13.208  156.886   6.7208  136.890   7.1198 19.99655 9.790891 
1 1 1  -17    8   47 o  285.704   5.0077  553.849   19.376  577.371   27.961  532.117   26.876  291.534   7.0775  279.875   7.0864 11.65915 10.01536 
1 1 1  -17    8   48 o  273.273   5.9687  510.953   21.230  519.065   26.671  496.922   35.075  276.402   7.1205  270.143   9.5813 6.258514 11.93749 
1 1 1  -17    8   49 o  511.538   8.1234  1782.22   53.398  1773.74   65.739  1798.67   91.548  510.348   9.5055  512.729   13.176 -2.380737 16.24675 
1 1 1  -17    8   50 o  287.899   5.1089  563.517   19.923  545.184   28.208  581.768   28.144  283.210   7.3498  292.589   7.0982 -9.379059 10.21781 
1 1 1  -17    8   51 o  385.722   5.6952  1011.66   29.762  1031.89   42.668  992.484   41.535  389.470   8.0843  381.973   8.0241 7.497375 11.39039 
1 1 1  -17    8   52 o  324.705   6.4647  703.347   26.540  759.223   47.734  678.346   31.930  333.560   10.560  315.851   7.4600 17.70892 12.92946 
1 1 1  -17    8   53 o  179.652   4.8395  219.358   11.776  219.504   16.914  219.221   16.406  179.702   6.9457  179.603   6.7408 0.9902954E-01 9.678920 
1 1 1  -17    8   54 o  128.710   5.1808  112.863   9.0202  107.427   12.926  118.022   12.593  125.667   7.5906  131.754   7.0532 -6.086632 10.36169 
1 1 1  -17    8   55 o  165.934   5.0176  187.732   11.239  180.674   16.454  193.906   15.387  162.972   7.4503  168.896   6.7229 -5.924194 10.03516 
1 1 1  -17    8   56 o  109.140   7.0024   83.657   9.4929   75.194   16.817   87.614   11.500  104.802   11.841  113.478   7.4786 -8.675880 14.00489 
1 1 1  -17    8   57 o  185.476   6.2389  237.328   14.733  243.099   18.105  226.014   25.349  189.053   7.0671  181.900   10.284 7.152496 12.47787 
1 1 1  -17    8   58 o  140.714   6.9813  139.508   12.210  146.866   14.825  123.987   21.532  146.901   7.4470  134.527   11.811 12.37447 13.96262 
1 1 1  -17    8   59 o  139.327   5.4463  131.252   10.236  150.256   15.139  115.247   13.893  148.569   7.5193  130.085   7.8809 18.48370 10.89257 
1 1 1  -17    8   60 o   59.775   10.164   27.272   8.0353   17.146   14.476   31.781   9.6601   51.381   17.432   68.169   10.457 -16.78777 20.32763 
1 1 1  -17    8   61 o  148.098   7.5957  150.089   15.241  147.955   21.280  152.336   21.838  147.026   10.681  149.169   10.803 -2.143463 15.19139 
1 1 1  -17    8   62 o  331.455   7.8348  748.650   35.191  748.650   35.191   0.0000   0.0000  331.455   7.8348  ?   ?       ?      ? 
1 1 1  -17    8   63 o  176.700   7.2008  212.729   17.201  228.941   25.407  199.009   23.372  182.875   10.252  170.525   10.114 12.35008 14.40159 
1 1 1  -17    8   64 o  236.491   7.3775  381.103   23.643  381.103   23.643   0.0000   0.0000  236.491   7.3775  ?   ?       ?      ? 
1 1 1  -17    8   65 f   80.171   7.9852   47.363   7.8236   27.755   11.243   65.772   10.894   62.184   13.711   98.158   8.1897 -35.97414 15.97044 
1 1 1  -17    8   66 o  133.409   5.5155  120.842   9.9443  130.633   14.733  112.650   13.477  138.339   7.8589  128.479   7.7409 9.860107 11.03102 
1 1 1  -17    8   67 o  178.402   6.1341  211.194   14.028  237.885   24.760  198.577   17.023  186.210   9.8123  170.593   7.3639 15.61732 12.26816 
1 1 1  -17    8   68 o  119.446   6.6676   98.449   10.447  100.201   13.278   95.602   16.924  121.045   8.0948  117.847   10.597 3.197784 13.33524 
1 1 1  -17    8   69 o   95.211   6.3029   61.874   8.1120   67.072   11.982   57.476   11.022   98.880   8.9423   91.541   8.8849 7.339119 12.60583 
1 1 1  -17    8   70 o   82.896   6.9053   47.719   7.6874   42.823   11.240   52.023   10.537   78.758   10.531   87.034   8.9344 -8.275894 13.81057 
1 1 1  -17    8   71 o  156.225   7.5734  167.143   16.033  167.143   16.033   0.0000   0.0000  156.225   7.5734  ?   ?       ?      ? 
1 1 1  -17    8   72 o  126.146   7.1557  110.852   11.493  112.398   14.096  107.786   19.848  127.929   8.1312  124.364   11.777 3.565201 14.31139 
1 1 1  -17    8   73 o   61.007   8.6976   26.929   7.0093   23.328   10.407   29.918   9.4825   56.404   13.742   65.610   10.665 -9.205761 17.39520 
1 1 1  -17    8   74 o   87.910   8.1272   52.821   8.8962   57.366   16.427   50.935   10.582   90.000   13.469   85.821   9.0994 4.178986 16.25433 
1 1 1  -17    8   75 o   58.639   8.8788   25.342   6.8296   22.744   10.046   27.574   9.3123   55.511   13.488   61.766   11.550 -6.255196 17.75751 
1 1 1  -17    8   76 o   92.808   6.2956   59.651   7.8970   61.307   11.659   58.247   10.735   93.933   9.1591   91.684   8.6399 2.248688 12.59111 
1 1 1  -17    8   77 o   34.534   9.0010   5.5619   6.1435  -2.1729   9.0128   12.275   8.3964   27.555   12.199   41.513   13.238 -13.95855 18.00192 
1 1 1  -17    8   78 o  119.224   5.5895   98.248   9.0177  105.114   13.150   92.154   12.390  123.153   7.8797  115.295   7.9298 7.858215 11.17905 
1 1 1  -17    8   79 o   47.327   10.288   17.248   7.2273   11.655   12.964   19.770   8.7056   43.227   16.272   51.428   12.592 -8.200874 20.57569 
1 1 1  -17    8   80 o   26.581   8.5299  -3.6881   6.4454  -8.7699   11.368  -1.2802   7.8249   27.124   12.642   26.039   11.455 1.085079 17.05990 
1 1 1  -17    8   81 o   51.393   10.400   20.210   7.2779   20.068   13.078   20.273   8.7596   51.006   16.548   51.780   12.603 -0.7741470 20.80062 
1 1 1  -17    8   82 o   37.476   10.133   8.3285   6.8635   8.4702   12.063   8.2607   8.3459   39.113   15.432   35.840   13.137 3.272728 20.26651 
1 1 1  -17    8   83 o   34.993   10.109   5.2739   7.5976   2.8347   11.788   7.0071   9.9366   34.219   14.548   35.767   14.040 -1.547634 20.21808 
1 1 1  -17    8   84 o  108.056   11.322   85.347   16.579   85.347   16.579   0.0000   0.0000  108.056   11.322  ?   ?       ?      ? 
1 1 1  -17    8   85 o   56.691   15.701   26.171   12.475   26.171   12.475   0.0000   0.0000   56.691   15.701  ?   ?       ?      ? 
1 1 1  -17    8   86 o   28.522   12.953  -3.7144   10.892  -3.7144   10.892   0.0000   0.0000   28.522   12.953  ?   ?       ?      ? 
1 1 1  -17    8   87 o   40.140   15.459   10.831   11.870   10.831   11.870   0.0000   0.0000   40.140   15.459  ?   ?       ?      ? 
1 1 1  -17    9    1 o  368.974   5.3625  923.354   26.811  910.193   37.616  936.944   38.224  366.302   7.5778  371.646   7.5896 -5.343384 10.72503 
1 1 1  -17    9    2 o  247.946   4.5933  416.892   15.433  415.993   21.769  417.801   21.883  247.677   6.4860  248.214   6.5058 -0.5369873 9.186616 
1 1 1  -17    9    3 o  328.837   5.0690  733.312   22.587  724.342   31.714  742.545   32.176  326.797   7.1614  330.877   7.1760 -4.080139 10.13806 
1 1 1  -17    9    4 o  299.833   4.9035  607.055   19.877  555.932   27.167  665.942   29.158  286.305   7.0022  313.360   6.8663 -27.05539 9.806997 
1 1 1  -17    9    5 o  261.299   4.6836  463.004   16.584  457.791   23.396  468.267   23.510  259.821   6.6449  262.778   6.6022 -2.957458 9.367165 
1 1 1  -17    9    6 o  273.569   6.1708  511.689   20.953  517.591   25.108  498.150   38.030  276.268   6.7065  270.869   10.361 5.398682 12.34167 
1 1 1  -17    9    7 o  479.091   7.2870  1556.78   47.309  1556.78   47.309   0.0000   0.0000  479.091   7.2870  ?   ?       ?      ? 
1 1 1  -17    9    8 f  426.344   6.5050  1195.03   32.727  1157.34   37.620  1312.32   66.360  413.112   6.7199  439.576   11.140 -26.46368 13.01002 
1 1 1  -17    9    9 o  400.919   6.4987  1145.79   31.854  1231.65   38.469  958.474   56.817  426.173   6.6611  375.666   11.161 50.50632 12.99737 
1 1 1  -17    9   10 o  485.551   7.1197  1560.93   40.700  1522.32   46.801  1680.72   82.440  473.759   7.2897  497.343   12.232 -23.58386 14.23945 
1 1 1  -17    9   11 o  287.886   5.3236  560.014   18.711  557.230   22.072  567.124   35.276  286.687   5.6814  289.086   9.0048 -2.399658 10.64727 
1 1 1  -17    9   12 o  260.816   5.1093  455.212   16.338  447.154   19.268  475.832   30.822  256.818   5.5364  264.815   8.5888 -7.997833 10.21856 
1 1 1  -17    9   13 o  280.105   5.4305  554.339   18.660  588.666   22.494  478.587   33.416  294.663   5.6333  265.548   9.2859 29.11484 10.86104 
1 1 1  -17    9   14 o  339.567   5.7839  789.188   23.876  798.101   28.203  766.643   44.854  343.081   6.0662  336.054   9.8495 7.027039 11.56771 
1 1 1  -17    9   15 o  264.674   5.1748  474.230   16.818  472.973   19.925  477.341   31.358  264.125   5.5669  265.223   8.7248 -1.098236 10.34951 
1 1 1  -17    9   16 o  341.641   5.9657  828.564   24.960  885.568   30.118  703.562   44.600  361.384   6.1500  321.898   10.224 39.48608 11.93143 
1 1 1  -17    9   17 o  427.523   7.1395  1261.57   40.011  1331.03   51.339  1154.11   63.858  442.886   8.5540  412.160   11.433 30.72519 14.27891 
1 1 1  -17    9   18 o  498.108   7.8063  1658.94   49.960  1604.99   61.091  1767.86   86.810  486.262   9.2709  509.954   12.562 -23.69284 15.61259 
1 1 1  -17    9   19 f  386.817   6.1704  982.559   28.356  949.090   32.695  1084.16   56.966  374.097   6.4493  399.537   10.521 -25.44016 12.34076 
1 1 1  -17    9   20 o  278.259   5.2753  516.268   17.910  505.020   21.034  545.922   34.153  272.913   5.6873  283.605   8.8865 -10.69186 10.55058 
1 1 1  -17    9   21 o  284.240   5.4716  563.932   19.086  587.321   22.874  510.330   34.627  294.307   5.7353  274.173   9.3198 20.13373 10.94316 
1 1 1  -17    9   22 o  207.826   5.0737  301.839   13.145  317.121   15.976  269.822   23.125  216.265   5.4514  199.386   8.5586 16.87936 10.14732 
1 1 1  -17    9   23 o  143.051   6.7999  138.808   13.182  138.808   13.182   0.0000   0.0000  143.051   6.7999  ?   ?       ?      ? 
1 1 1  -17    9   24 o  169.546   6.4698  196.629   14.739  209.915   20.036  180.964   21.757  175.861   8.4075  163.232   9.8360 12.62892 12.93962 
1 1 1  -17    9   25 o  257.824   5.5915  444.073   18.457  472.401   32.297  430.336   22.491  263.772   9.0355  251.877   6.5892 11.89522 11.18292 
1 1 1  -17    9   26 o  308.544   6.0673  659.880   24.095  600.855   40.054  693.353   30.163  297.402   9.9385  319.686   6.9625 -22.28381 12.13463 
1 1 1  -17    9   27 o  276.581   4.8189  517.292   18.032  552.052   26.406  486.920   24.683  285.258   6.8309  267.904   6.7988 17.35410 9.637726 
1 1 1  -17    9   28 o  342.988   5.2398  792.606   24.266  880.626   36.104  720.081   32.773  360.233   7.3959  325.743   7.4243 34.48935 10.47950 
1 1 1  -17    9   29 o  472.560   8.8768  1516.60   56.846  1516.60   56.846   0.0000   0.0000  472.560   8.8768  ?   ?       ?      ? 
1 1 1  -17    9   30 o  385.520   5.5716  1006.65   29.073  1059.66   42.368  959.482   39.968  395.086   7.9135  375.953   7.8451 19.13248 11.14311 
1 1 1  -17    9   31 o  325.185   5.1544  717.477   22.708  727.674   32.548  707.805   31.698  327.432   7.3353  322.938   7.2431 4.494202 10.30872 
1 1 1  -17    9   32 o  384.014   5.5524  1001.26   28.892  997.526   41.038  1004.92   40.684  383.300   7.9007  384.728   7.8035 -1.428589 11.10476 
1 1 1  -17    9   33 o  378.589   5.5327  972.307   28.368  927.141   39.509  1020.37   40.757  369.515   7.8901  387.662   7.7582 -18.14713 11.06543 
1 1 1  -17    9   34 o  428.306   7.3330  1245.73   39.753  1253.40   70.198  1242.12   48.232  428.982   12.075  427.630   8.3230 1.351776 14.66594 
1 1 1  -17    9   35 o  479.751   7.8522  1529.23   47.184  1664.37   86.516  1472.02   56.293  494.089   12.921  465.413   8.9255 28.67599 15.70438 
1 1 1  -17    9   36 o  424.759   5.9007  1224.43   33.945  1170.81   47.183  1281.96   48.872  415.124   8.3873  434.393   8.3022 -19.26901 11.80146 
1 1 1  -17    9   37 f  457.927   6.1770  1423.59   38.308  1472.54   55.360  1378.62   53.065  465.465   8.7766  450.390   8.6944 15.07486 12.35397 
1 1 1  -17    9   38 o  417.196   5.8581  1181.90   33.105  1136.44   46.203  1229.87   47.459  408.949   8.3371  425.443   8.2318 -16.49341 11.71621 
1 1 1  -17    9   39 o  324.768   7.3871  716.345   32.511  716.345   32.511   0.0000   0.0000  324.768   7.3871  ?   ?       ?      ? 
1 1 1  -17    9   40 o  186.455   5.9794  237.039   14.114  238.360   17.163  234.279   24.805  187.368   6.7594  185.542   9.8652 1.825531 11.95880 
1 1 1  -17    9   41 o   99.847   7.3523   70.090   9.1252   73.844   11.080   62.175   16.088  104.245   7.8433   95.448   12.438 8.796867 14.70451 
1 1 1  -17    9   42 o  135.947   4.9131  125.863   9.0262  117.821   12.951  133.458   12.586  131.698   7.2570  140.196   6.6249 -8.497269 9.826135 
1 1 1  -17    9   43 f  195.121   4.7186  258.431   12.471  261.941   17.968  255.169   17.322  196.393   6.7512  193.848   6.5942 2.545166 9.437229 
1 1 1  -17    9   44 f  287.145   5.0224  559.911   19.539  572.221   27.984  548.201   27.293  290.221   7.1153  284.068   7.0901 6.153931 10.04473 
1 1 1  -17    9   45 o  294.538   6.2063  608.715   23.814  674.323   30.834  511.720   37.491  315.022   7.2227  274.054   10.095 40.96771 12.41268 
1 1 1  -17    9   46 o  233.617   5.7050  369.490   17.414  364.951   21.832  377.429   28.872  231.764   6.9513  235.470   9.0481 -3.705887 11.41006 
1 1 1  -17    9   47 o  306.196   5.1476  637.046   21.344  604.712   29.906  670.620   30.473  298.263   7.3990  314.129   7.1587 -15.86575 10.29523 
1 1 1  -17    9   48 o  201.684   4.7924  276.165   13.089  282.099   18.930  270.729   18.118  203.752   6.8561  199.616   6.6979 4.135513 9.584709 
1 1 1  -17    9   49 o  178.790   4.8412  217.326   11.722  214.200   16.802  220.290   16.362  177.526   6.9843  180.054   6.7058 -2.527832 9.682392 
1 1 1  -17    9   50 o  237.030   6.0348  380.919   18.048  386.862   32.130  378.179   21.815  238.172   9.9550  235.889   6.8245 2.282516 12.06962 
1 1 1  -17    9   51 o  158.463   6.1393  165.807   12.184  184.618   22.452  157.955   14.506  164.499   10.072  152.427   7.0225 12.07217 12.27852 
1 1 1  -17    9   52 o  134.105   5.1393  122.074   9.3192  125.731   13.717  118.938   12.701  135.955   7.4451  132.256   7.0865 3.699371 10.27851 
1 1 1  -17    9   53 o  123.785   6.5757  107.643   10.128   96.217   17.861  113.058   12.296  118.629   11.110  128.940   7.0369 -10.31053 13.15139 
1 1 1  -17    9   54 o   76.197   9.2488   44.940   8.0915   31.360   14.786   50.745   9.6677   66.077   16.548   86.318   8.2650 -20.24103 18.49757 
1 1 1  -17    9   55 o  120.132   5.4912   98.058   8.9245  101.386   13.080   95.160   12.207  122.025   7.9100  118.240   7.6186 3.784981 10.98231 
1 1 1  -17    9   56 f  124.229   7.4701  106.317   11.759  107.835   14.349  103.213   20.518  125.793   8.4175  122.665   12.343 3.128197 14.94016 
1 1 1  -17    9   57 o  281.134   5.1898  538.145   19.764  527.398   28.148  548.598   27.758  278.342   7.4625  283.925   7.2145 -5.582367 10.37970 
1 1 1  -17    9   58 o  248.492   6.0005  416.249   19.569  402.615   24.582  439.837   32.334  243.176   7.4597  253.809   9.4008 -10.63292 12.00094 
1 1 1  -17    9   59 o  225.163   6.1200  346.727   17.461  343.333   30.633  348.360   21.251  224.073   10.088  226.253   6.9311 -2.180374 12.23996 
1 1 1  -17    9   60 f  145.975   5.3510  146.352   10.497  131.326   15.309  159.685   14.421  138.784   8.1400  153.167   6.9479 -14.38280 10.70202 
1 1 1  -17    9   61 o  177.592   5.0518  213.729   12.127  230.974   17.930  199.189   16.464  184.157   7.1849  171.027   7.1036 13.13016 10.10366 
1 1 1  -17    9   62 o  129.045   5.4987  112.855   9.5861  124.042   14.219  103.533   12.979  134.871   7.7798  123.219   7.7730 11.65215 10.99750 
1 1 1  -17    9   63 o  138.142   5.3445  130.825   9.9479  117.043   14.253  143.917   13.891  130.953   8.0316  145.332   7.0533 -14.37857 10.68905 
1 1 1  -17    9   64 o  141.493   5.3494  136.063   10.235  145.099   15.084  128.352   13.935  145.821   7.6331  137.165   7.4966 8.655853 10.69879 
1 1 1  -17    9   65 o  221.359   6.1705  335.438   17.304  335.033   30.425  335.632   21.037  220.867   10.165  221.850   6.9976 -0.9824982 12.34098 
1 1 1  -17    9   66 o  192.184   7.0121  253.918   18.191  252.281   26.885  255.300   24.704  191.490   10.361  192.878   9.4516 -1.387878 14.02415 
1 1 1  -17    9   67 o  177.820   7.6084  215.484   18.222  190.829   24.285  247.254   27.567  166.316   10.775  189.324   10.745 -23.00778 15.21684 
1 1 1  -17    9   68 o  128.375   7.0689  116.074   11.563  121.581   14.327  105.785   19.585  133.238   7.9349  123.512   11.701 9.726425 14.13772 
1 1 1  -17    9   69 o  148.855   5.2091  151.708   10.490  150.785   15.258  152.536   14.446  148.380   7.5881  149.331   7.1386 -0.9504395 10.41822 
1 1 1  -17    9   70 o  124.357   6.9851  103.565   11.133   97.168   13.508  117.113   19.659  118.898   8.3840  129.817   11.175 -10.91885 13.97021 
1 1 1  -17    9   71 o   80.666   6.9888   44.954   7.6307   47.782   11.096   42.416   10.511   83.073   9.8564   78.260   9.9109 4.813148 13.97766 
1 1 1  -17    9   72 o  114.504   7.1623   92.495   10.018   87.703   18.477   94.490   11.922  111.731   12.203  117.277   7.5015 -5.546097 14.32470 
1 1 1  -17    9   73 o   48.905   10.387   17.916   7.2750   13.236   13.319   19.906   8.6851   45.691   16.618   52.118   12.465 -6.427147 20.77353 
1 1 1  -17    9   74 o   64.995   8.0311   29.714   6.7976   39.751   10.261   21.865   9.0743   75.465   10.034   54.524   12.542 20.94134 16.06211 
1 1 1  -17    9   75 o   56.638   8.7803   23.927   6.5412   20.656   9.7199   26.634   8.8433   52.668   13.543   60.609   11.179 -7.940365 17.56063 
1 1 1  -17    9   76 o   72.912   7.4703   38.593   7.0433   32.565   10.462   43.589   9.5251   66.737   12.010   79.087   8.8876 -12.34940 14.94066 
1 1 1  -17    9   77 o   83.517   6.5557   48.636   7.4005   52.307   10.951   45.550   10.040   86.378   9.3556   80.655   9.1859 5.723381 13.11136 
1 1 1  -17    9   78 o   74.349   8.8633   40.365   8.0724   40.995   14.318   40.071   9.7738   73.277   14.926   75.421   9.5629 -2.144508 17.72665 
1 1 1  -17    9   79 o   58.462   9.7985   22.019   7.3802   40.930   13.617   14.154   8.7819   73.329   14.216   43.595   13.488 29.73351 19.59697 
1 1 1  -17    9   80 o   34.926   9.9135   5.2179   6.7229   8.4008   12.014   3.7667   8.1119   39.073   15.406   30.780   12.481 8.292852 19.82698 
1 1 1  -17    9   81 o   91.604   7.3487   55.862   8.6804   75.711   15.469   46.738   10.487  102.199   11.169   81.010   9.5532 21.18908 14.69739 
1 1 1  -17    9   82 o   76.722   9.6165   45.400   9.6242   39.212   14.173   50.695   13.110   70.260   15.318   83.184   11.630 -12.92413 19.23298 
1 1 1  -17    9   83 o   83.765   12.857   52.567   14.595   52.567   14.595   0.0000   0.0000   83.765   12.857  ?   ?       ?      ? 
1 1 1  -17    9   84 o   84.236   12.701   53.325   14.498   53.325   14.498   0.0000   0.0000   84.236   12.701  ?   ?       ?      ? 
1 1 1  -17    9   85 o   72.877   14.791   42.528   14.108   42.528   14.108   0.0000   0.0000   72.877   14.791  ?   ?       ?      ? 
1 1 1  -17    9   86 o   63.427   16.089   33.607   13.850   33.607   13.850   0.0000   0.0000   63.427   16.089  ?   ?       ?      ? 
1 1 1  -17   10    1 o  234.495   5.2854  371.731   16.186  367.924   20.286  378.399   26.850  232.895   6.4276  236.094   8.3921 -3.199127 10.57078 
1 1 1  -17   10    2 o  190.474   5.0668  245.080   12.722  241.591   16.155  250.775   20.641  188.727   6.3166  192.222   7.9241 -3.495270 10.13362 
1 1 1  -17   10    3 o  312.915   7.0426  664.312   29.864  664.312   29.864   0.0000   0.0000  312.915   7.0426  ?   ?       ?      ? 
1 1 1  -17   10    4 o  216.625   6.3663  318.295   18.689  318.295   18.689   0.0000   0.0000  216.625   6.3663  ?   ?       ?      ? 
1 1 1  -17   10    5 o  303.045   5.8122  624.556   22.910  627.719   28.670  618.969   38.106  304.183   6.9552  301.906   9.3140 2.276825 11.62439 
1 1 1  -17   10    6 o  232.762   5.2657  362.087   16.044  347.249   20.041  388.572   26.774  226.259   6.5362  239.265   8.2576 -13.00616 10.53138 
1 1 1  -17   10    7 o  399.634   6.7465  1094.00   34.995  1118.37   43.879  1051.41   58.008  405.941   7.9764  393.326   10.883 12.61472 13.49310 
1 1 1  -17   10    8 o  329.591   6.1261  750.103   26.354  789.056   33.573  687.571   42.538  341.024   7.2648  318.159   9.8661 22.86563 12.25226 
1 1 1  -17   10    9 o  331.529   6.0853  743.508   26.201  737.034   32.614  755.293   43.999  329.589   7.3021  333.470   9.7366 -3.881470 12.17054 
1 1 1  -17   10   10 o  415.811   6.8960  1172.24   37.068  1167.33   45.936  1181.40   62.761  414.716   8.1737  416.906   11.109 -2.190643 13.79191 
1 1 1  -17   10   11 o  230.867   5.3182  356.425   16.146  341.070   20.299  382.872   26.640  224.232   6.6801  237.503   8.2771 -13.27135 10.63645 
1 1 1  -17   10   12 o  297.257   5.8629  609.598   22.803  641.281   29.150  559.636   36.605  307.449   6.9965  287.065   9.4097 20.38412 11.72573 
1 1 1  -17   10   13 o  226.635   5.3352  351.043   15.910  359.465   20.342  337.776   25.531  230.203   6.5207  223.067   8.4461 7.136353 10.67034 
1 1 1  -17   10   14 o  317.083   5.9965  689.404   24.809  709.236   31.376  656.320   40.525  323.315   7.1612  310.852   9.6202 12.46359 11.99298 
1 1 1  -17   10   15 o  195.559   5.3826  260.424   14.121  266.291   18.809  252.845   21.377  198.115   7.0060  193.003   8.1734 5.111954 10.76512 
1 1 1  -17   10   16 o  240.881   5.5379  396.016   17.729  405.739   23.087  382.039   27.679  244.547   6.9665  237.215   8.6105 7.331528 11.07577 
1 1 1  -17   10   17 o  361.794   5.9426  858.390   25.616  827.178   29.567  952.322   51.293  349.213   6.2479  374.375   10.110 -25.16214 11.88511 
1 1 1  -17   10   18 o  223.085   5.2793  358.690   14.507  396.300   17.781  283.803   25.090  241.745   5.4276  204.426   9.0569 37.31915 10.55864 
1 1 1  -17   10   19 o  365.564   6.1434  935.513   27.360  975.018   32.641  842.200   50.166  379.123   6.3534  352.005   10.517 27.11853 12.28685 
1 1 1  -17   10   20 o  423.353   6.6093  1220.99   33.642  1225.15   39.397  1209.81   64.646  424.935   6.8416  421.771   11.310 3.164764 13.21867 
1 1 1  -17   10   21 o  331.875   6.0711  747.098   27.304  747.098   27.304   0.0000   0.0000  331.875   6.0711  ?   ?       ?      ? 
1 1 1  -17   10   22 o  213.411   5.5166  308.881   15.954  308.881   15.954   0.0000   0.0000  213.411   5.5166  ?   ?       ?      ? 
1 1 1  -17   10   23 o  221.355   4.9384  322.193   13.546  308.059   16.005  357.892   25.437  213.124   5.5416  229.587   8.1758 -16.46266 9.876882 
1 1 1  -17   10   24 o  162.632   4.9213  180.499   10.150  182.393   12.376  176.609   17.736  163.988   5.5693  161.277   8.1154 2.710922 9.842563 
1 1 1  -17   10   25 o  255.488   5.6305  448.421   18.928  466.800   24.322  420.194   30.141  262.274   6.8431  248.701   8.9433 13.57249 11.26102 
1 1 1  -17   10   26 o  355.769   5.9359  826.364   25.132  792.484   28.963  929.633   50.566  341.768   6.2536  369.770   10.091 -28.00214 11.87178 
1 1 1  -17   10   27 o  234.601   6.6799  373.496   21.237  373.496   21.237   0.0000   0.0000  234.601   6.6799  ?   ?       ?      ? 
1 1 1  -17   10   28 o  252.585   4.7241  433.165   16.145  402.888   22.703  464.140   22.964  243.639   6.8764  261.530   6.4795 -17.89023 9.448180 
1 1 1  -17   10   29 o  217.656   6.6932  321.523   19.742  321.523   19.742   0.0000   0.0000  217.656   6.6932  ?   ?       ?      ? 
1 1 1  -17   10   30 o  282.285   4.9081  541.277   18.762  521.990   26.673  560.163   26.395  277.292   7.0983  287.277   6.7802 -9.984283 9.816135 
1 1 1  -17   10   31 o  341.692   7.5155  792.839   34.800  792.839   34.800   0.0000   0.0000  341.692   7.5155  ?   ?       ?      ? 
1 1 1  -17   10   32 o  311.726   6.2711  642.642   24.369  705.934   45.165  616.649   28.944  322.081   10.348  301.371   7.0871 20.71039 12.54229 
1 1 1  -17   10   33 o  215.404   5.9376  325.583   15.939  288.268   27.968  343.530   19.397  205.831   10.027  224.978   6.3622 -19.14653 11.87510 
1 1 1  -17   10   34 o  130.117   4.9048  114.189   8.6155  123.833   12.892  106.405   11.581  135.045   7.0446  125.190   6.8267 9.854698 9.809694 
1 1 1  -17   10   35 f  234.746   6.7811  374.144   21.572  374.144   21.572   0.0000   0.0000  234.746   6.7811  ?   ?       ?      ? 
1 1 1  -17   10   36 o  206.090   6.7530  288.388   18.860  288.388   18.860   0.0000   0.0000  206.090   6.7530  ?   ?       ?      ? 
1 1 1  -17   10   37 o  355.216   7.6941  857.356   37.037  857.356   37.037   0.0000   0.0000  355.216   7.6941  ?   ?       ?      ? 
1 1 1  -17   10   38 o  295.285   6.3225  594.062   23.678  595.820   28.823  590.415   41.523  296.163   7.1816  294.407   10.408 1.756104 12.64507 
1 1 1  -17   10   39 o  267.595   6.2100  492.858   21.127  504.328   25.916  470.134   36.479  272.481   7.0186  262.710   10.247 9.770905 12.42000 
1 1 1  -17   10   40 o  337.252   7.5595  772.977   34.549  772.977   34.549   0.0000   0.0000  337.252   7.5595  ?   ?       ?      ? 
1 1 1  -17   10   41 o  391.391   6.8314  1040.53   34.562  1034.27   42.814  1052.23   58.562  390.001   8.1010  392.782   11.002 -2.780762 13.66289 
1 1 1  -17   10   42 o  265.171   5.9261  487.205   20.531  515.680   26.249  442.330   32.952  275.492   7.0310  254.850   9.5415 20.64215 11.85224 
1 1 1  -17   10   43 o  335.840   7.5797  766.781   34.496  766.781   34.496   0.0000   0.0000  335.840   7.5797  ?   ?       ?      ? 
1 1 1  -17   10   44 f  275.448   7.1306  515.661   26.616  515.661   26.616   0.0000   0.0000  275.448   7.1306  ?   ?       ?      ? 
1 1 1  -17   10   45 o   51.521   8.9561   18.012   6.3113   26.430   9.7448   11.930   8.2833   61.115   12.194   41.927   13.121 19.18810 17.91214 
1 1 1  -17   10   46 o  230.409   4.8478  359.512   15.110  385.758   22.153  336.682   20.661  238.244   6.8617  222.575   6.8501 15.66890 9.695693 
1 1 1  -17   10   47 o  267.356   4.9660  486.076   17.978  462.588   25.357  509.814   25.492  260.840   7.1738  273.871   6.8688 -13.03033 9.931946 
1 1 1  -17   10   48 o   93.169   7.4517   54.755   8.5427   70.246   16.679   49.246   9.9464  101.305   12.149   85.034   8.6316 16.27065 14.90347 
1 1 1  -17   10   49 o   67.754   9.8059   36.156   7.9218   23.170   14.854   41.317   9.3648   57.637   17.489   77.870   8.8745 -20.23262 19.61182 
1 1 1  -17   10   50 o  188.862   5.9568  238.178   14.182  255.897   25.623  230.353   17.028  193.657   9.7637  184.066   6.8268 9.590607 11.91367 
1 1 1  -17   10   51 o  211.083   6.0100  304.006   15.985  302.336   28.377  304.782   19.347  210.444   9.9504  211.723   6.7431 -1.278763 12.02002 
1 1 1  -17   10   52 o  180.298   4.9680  221.110   12.111  221.165   17.734  221.062   16.579  180.295   7.2583  180.300   6.7853 -0.4837036E-02 9.935952 
1 1 1  -17   10   53 o  184.977   5.8490  229.298   14.341  215.880   18.235  251.053   23.219  178.084   7.5562  191.869   8.9301 -13.78461 11.69798 
1 1 1  -17   10   54 o  171.834   10.701  201.986   24.918  201.986   24.918   0.0000   0.0000  171.834   10.701  ?   ?       ?      ? 
1 1 1  -17   10   55 o  237.833   6.3723  391.200   19.531  403.853   24.360  368.427   32.680  243.564   7.3803  232.102   10.390 11.46237 12.74465 
1 1 1  -17   10   56 o  225.916   5.0016  346.195   15.276  363.888   22.570  331.240   20.751  231.205   7.2037  220.626   6.9405 10.57869 10.00320 
1 1 1  -17   10   57 o  229.328   4.9877  358.285   15.477  352.368   22.405  363.686   21.405  227.483   7.2678  231.174   6.8328 -3.690521 9.975379 
1 1 1  -17   10   58 o  194.776   4.9737  258.203   13.098  259.807   19.206  256.807   17.909  195.311   7.2567  194.241   6.8038 1.070358 9.947422 
1 1 1  -17   10   59 f  128.368   5.4785  112.903   9.4621  106.939   14.025  117.886   12.819  125.186   8.2674  131.550   7.1908 -6.364532 10.95709 
1 1 1  -17   10   60 o   54.510   9.2207   21.758   6.7062   17.940   10.368   24.504   8.7932   50.282   14.450   58.739   11.458 -8.457626 18.44135 
1 1 1  -17   10   61 o  103.878   5.9116   74.262   8.2297   69.453   12.355   78.098   11.034  100.759   9.0486  106.996   7.6098 -6.236786 11.82313 
1 1 1  -17   10   62 o  124.419   5.6167  103.498   9.3145  134.275   14.255   80.564   12.305  140.275   7.4987  108.562   8.3640 31.71281 11.23333 
1 1 1  -17   10   63 o  194.609   6.2759  264.058   15.229  247.110   27.089  271.890   18.414  189.533   10.547  199.686   6.8050 -10.15291 12.55171 
1 1 1  -17   10   64 f  148.448   7.1224  149.597   14.191  165.652   21.984  138.128   18.581  155.100   10.460  141.795   9.6699 13.30502 14.24477 
1 1 1  -17   10   65 o  122.185   5.6599  101.614   9.3417  109.859   13.903   94.830   12.613  126.662   8.1002  117.709   7.9072 8.953163 11.31976 
1 1 1  -17   10   66 o  144.380   5.3454  143.940   10.362  128.465   15.137  157.586   14.215  136.893   8.1599  151.867   6.9072 -14.97388 10.69080 
1 1 1  -17   10   67 o   86.566   6.8420   52.394   7.8966   46.631   11.857   56.988   10.586   82.065   10.662   91.067   8.5778 -9.001480 13.68409 
1 1 1  -17   10   68 o  126.707   5.5877  110.111   9.5658  111.464   14.118  108.963   13.006  127.367   8.1798  126.047   7.6144 1.320236 11.17534 
1 1 1  -17   10   69 o  103.182   12.456   74.713   17.417   0.0000   0.0000   74.713   17.417  ?   ?   103.182   12.456      ?      ? 
1 1 1  -17   10   70 o   97.001   7.9389   66.545   9.3517   63.947   17.457   67.591   11.075   94.970   13.565   99.031   8.2524 -4.060417 15.87774 
1 1 1  -17   10   71 o  117.323   7.6072   98.754   10.584   90.776   20.249  101.754   12.415  113.050   13.218  121.596   7.5345 -8.545631 15.21434 
1 1 1  -17   10   72 o  126.681   6.9342  115.226   10.819  103.425   19.365  120.580   13.044  121.017   11.808  132.345   7.2731 -11.32779 13.86844 
1 1 1  -17   10   73 o   92.399   7.6782   57.290   9.2963   49.747   11.499   71.521   15.795   84.278   10.069  100.520   11.595 -16.24237 15.35643 
1 1 1  -17   10   74 o   58.316   10.562   24.566   8.0266   21.723   9.8152   30.306   13.946   53.861   13.480   62.770   16.264 -8.908627 21.12347 
1 1 1  -17   10   75 o  122.841   5.4718  104.138   9.0851  113.320   13.425   96.379   12.340  127.806   7.7512  117.876   7.7253 9.930740 10.94362 
1 1 1  -17   10   76 o   40.150   10.295   10.641   6.9069   8.4731   12.774   11.537   8.2107   40.169   15.870   40.131   13.117 0.3785324E-01 20.58921 
1 1 1  -17   10   77 o   97.232   7.2081   60.486   8.9041   88.410   16.507   49.028   10.574  111.112   10.963   83.352   9.3617 27.75933 14.41630 
1 1 1  -17   10   78 o   63.133   9.6940   30.254   7.6413   29.636   13.830   30.525   9.1676   60.927   16.392   65.340   10.354 -4.413406 19.38793 
1 1 1  -17   10   79 o   61.211   9.8139   29.855   7.6604   24.733   13.687   32.191   9.2438   55.401   16.783   67.022   10.178 -11.62020 19.62773 
1 1 1  -17   10   80 o   73.121   9.8412   42.209   9.3408   32.191   13.913   50.431   12.604   63.016   16.202   83.226   11.175 -20.21025 19.68239 
1 1 1  -17   10   81 o   31.362   13.775  -0.1524   11.276  -0.1524   11.276   0.0000   0.0000   31.362   13.775  ?   ?       ?      ? 
1 1 1  -17   10   82 o   62.210   15.642   31.546   13.173   31.546   13.173   0.0000   0.0000   62.210   15.642  ?   ?       ?      ? 
1 1 1  -17   10   83 o   76.848   14.238   46.615   14.281   46.615   14.281   0.0000   0.0000   76.848   14.238  ?   ?       ?      ? 
1 1 1  -17   10   84 o   45.117   16.078   15.920   12.393   15.920   12.393   0.0000   0.0000   45.117   16.078  ?   ?       ?      ? 
1 1 1  -17   11    1 o  279.141   6.3119  537.088   21.692  548.226   25.907  510.969   39.674  284.221   6.7263  274.061   10.682 10.16058 12.62371 
1 1 1  -17   11    2 o  406.275   8.1260  1120.97   44.738   0.0000   0.0000  1120.97   44.738  ?   ?   406.275   8.1260      ?      ? 
1 1 1  -17   11    3 o  405.134   5.7045  1114.16   31.308  1153.81   44.738  1076.11   43.829  412.201   8.0092  398.068   8.1250 14.13297 11.40891 
1 1 1  -17   11    4 o  382.902   5.5556  992.483   28.782  936.634   39.429  1056.19   42.112  371.408   7.8340  394.396   7.8794 -22.98795 11.11110 
1 1 1  -17   11    5 o  467.325   6.2313  1483.15   39.453  1526.55   56.353  1441.43   55.254  474.033   8.7726  460.617   8.8520 13.41632 12.46260 
1 1 1  -17   11    6 o  409.127   8.1582  1136.71   45.231   0.0000   0.0000  1136.71   45.231  ?   ?   409.127   8.1582      ?      ? 
1 1 1  -17   11    7 o  205.818   4.5820  287.422   12.779  285.451   18.006  289.424   18.141  205.107   6.4780  206.529   6.4818 -1.422256 9.164003 
1 1 1  -17   11    8 o  200.594   4.8409  267.297   12.020  259.292   14.232  287.218   22.450  195.527   5.3712  205.662   8.0553 -10.13501 9.681856 
1 1 1  -17   11    9 o  200.324   4.9253  273.391   12.225  274.938   14.607  269.776   22.333  201.340   5.3537  199.308   8.2689 2.032532 9.850696 
1 1 1  -17   11   10 o  214.523   4.9622  312.608   13.155  312.998   15.671  311.678   24.204  214.823   5.3832  214.223   8.3376 0.6002808 9.924438 
1 1 1  -17   11   11 f  375.881   6.2723  995.016   28.714  1045.35   34.336  877.935   52.366  392.507   6.4553  359.255   10.756 33.25220 12.54462 
1 1 1  -17   11   12 o  471.979   7.5943  1519.23   46.584  1529.30   58.266  1501.39   77.554  474.418   9.0629  469.539   12.188 4.879150 15.18863 
1 1 1  -17   11   13 o  415.873   6.9777  1147.13   37.413  1087.53   45.744  1267.55   65.022  400.141   8.4360  431.605   11.117 -31.46347 13.95547 
1 1 1  -17   11   14 o  415.806   6.5522  1179.24   32.775  1184.31   38.404  1165.63   62.880  417.745   6.7839  413.867   11.212 3.878021 13.10436 
1 1 1  -17   11   15 o  397.857   6.4625  1106.42   31.246  1148.56   37.177  1005.05   57.662  411.398   6.6686  384.317   11.072 27.08121 12.92496 
1 1 1  -17   11   16 o  245.246   5.2660  419.318   15.914  436.124   19.119  381.419   28.711  253.566   5.5641  236.926   8.9424 16.64050 10.53209 
1 1 1  -17   11   17 o  332.951   5.9337  782.292   24.138  825.730   28.966  683.582   43.665  348.860   6.1271  317.042   10.163 31.81744 11.86733 
1 1 1  -17   11   18 o  318.991   5.7165  697.539   22.180  705.933   26.217  676.400   41.604  322.569   5.9976  315.413   9.7336 7.155396 11.43304 
1 1 1  -17   11   19 o  167.439   5.5625  190.178   12.621  190.178   12.621   0.0000   0.0000  167.439   5.5625  ?   ?       ?      ? 
1 1 1  -17   11   20 o  277.063   5.7476  520.771   21.580  520.771   21.580   0.0000   0.0000  277.063   5.7476  ?   ?       ?      ? 
1 1 1  -17   11   21 o  342.453   6.1197  841.493   25.668  914.523   31.155  687.183   45.287  367.110   6.2625  317.795   10.516 49.31540 12.23932 
1 1 1  -17   11   22 o  449.522   6.8386  1324.65   36.120  1277.73   41.399  1474.20   73.917  433.837   7.0418  465.208   11.725 -31.37088 13.67713 
1 1 1  -17   11   23 o  256.033   5.3262  450.297   16.834  457.878   20.121  432.614   30.732  259.787   5.7154  252.279   8.9893 7.508377 10.65243 
1 1 1  -17   11   24 o  245.932   5.2483  413.892   15.948  418.559   19.047  402.945   29.170  248.383   5.6588  243.480   8.8407 4.902878 10.49668 
1 1 1  -17   11   25 o  378.441   6.2988  996.078   28.973  1026.45   34.405  921.995   53.728  388.878   6.5286  368.004   10.774 20.87329 12.59752 
1 1 1  -17   11   26 o  329.047   5.9021  756.468   23.715  785.916   28.311  687.207   43.419  340.304   6.1391  317.790   10.082 22.51398 11.80425 
1 1 1  -17   11   27 o  184.668   4.8354  218.592   11.243  198.982   13.344  266.567   20.872  171.246   5.7503  198.090   7.7754 -26.84378 9.670745 
1 1 1  -17   11   28 o  204.677   5.0438  284.685   12.905  284.998   15.509  283.978   23.271  204.949   5.5839  204.405   8.4012 0.5442810 10.08761 
1 1 1  -17   11   29 o  186.215   5.0057  233.583   11.735  230.417   14.133  240.612   21.056  184.275   5.6595  188.154   8.2581 -3.878906 10.01132 
1 1 1  -17   11   30 o  253.323   6.6921  426.568   22.660  499.374   35.842  378.089   29.247  270.882   9.7641  235.765   9.1543 35.11667 13.38428 
1 1 1  -17   11   31 o  217.925   5.8120  307.313   15.617  360.281   29.905  287.453   18.312  230.089   9.5910  205.760   6.5673 24.32881 11.62401 
1 1 1  -17   11   32 o  301.205   5.0160  616.387   20.467  608.632   29.204  623.873   28.694  299.331   7.1995  303.078   6.9863 -3.747040 10.03199 
1 1 1  -17   11   33 o  352.873   5.3660  845.165   25.643  872.834   37.103  819.865   35.480  358.389   7.6396  347.357   7.5375 11.03134 10.73204 
1 1 1  -17   11   34 o  217.721   4.6938  321.447   13.835  331.922   20.123  312.057   19.052  221.073   6.7168  214.368   6.5583 6.705643 9.387577 
1 1 1  -17   11   35 o  108.907   5.9231   81.141   8.6455   84.293   11.542   77.112   13.050  111.365   7.6478  106.449   9.0467 4.915344 11.84616 
1 1 1  -17   11   36 o   85.125   9.0207   49.317   10.406   49.317   10.406   0.0000   0.0000   85.125   9.0207  ?   ?       ?      ? 
1 1 1  -17   11   37 o  279.693   7.1075  531.557   26.939  531.557   26.939   0.0000   0.0000  279.693   7.1075  ?   ?       ?      ? 
1 1 1  -17   11   38 o  190.729   4.7262  247.292   12.202  242.901   17.580  251.374   16.951  189.081   6.8610  192.377   6.5020 -3.296036 9.452486 
1 1 1  -17   11   39 o  182.930   4.7349  226.999   11.713  232.451   17.210  222.295   15.987  184.961   6.8664  180.900   6.5215 4.060974 9.469854 
1 1 1  -17   11   40 o  157.677   4.8326  168.972   10.303  168.473   15.074  169.409   14.114  157.443   7.0651  157.911   6.5956 -0.4678345 9.665277 
1 1 1  -17   11   41 o  256.915   4.8939  448.800   17.019  422.385   23.987  475.577   24.151  249.279   7.1007  264.552   6.7366 -15.27263 9.787844 
1 1 1  -17   11   42 o  228.743   4.8094  355.491   14.898  358.310   21.513  352.894   20.650  229.603   6.9142  227.884   6.6870 1.718918 9.618849 
1 1 1  -17   11   43 o  165.898   4.8360  186.435   10.846  195.949   16.026  178.394   14.733  169.781   6.9655  162.016   6.7105 7.764725 9.672049 
1 1 1  -17   11   44 o  172.370   4.8022  200.930   11.183  215.054   16.631  189.274   15.108  177.862   6.9000  166.878   6.6808 10.98390 9.604321 
1 1 1  -17   11   45 o  135.423   5.0937  124.043   9.3064  131.689   13.973  117.947   12.476  139.139   7.4107  131.708   6.9902 7.431656 10.18732 
1 1 1  -17   11   46 o   97.101   9.1437   76.748   9.1869   46.799   17.925   87.418   10.699   80.819   16.910  113.384   6.9631 -32.56474 18.28739 
1 1 1  -17   11   47 o  106.411   7.4343   77.044   10.720   0.0000   0.0000   77.044   10.720  ?   ?   106.411   7.4343      ?      ? 
1 1 1  -17   11   48 o  187.650   6.0386  239.701   14.247  240.601   25.452  239.290   17.194  187.709   10.006  187.592   6.7635 0.1174316 12.07727 
1 1 1  -17   11   49 o  109.887   8.0351   84.882   11.461   74.049   18.423   91.723   14.639  103.829   13.094  115.946   9.3169 -12.11729 16.07021 
1 1 1  -17   11   50 o  158.892   6.3565  163.117   12.412  193.924   23.962  151.822   14.510  168.412   10.499  149.373   7.1682 19.03889 12.71303 
1 1 1  -17   11   51 o  108.954   7.6043   80.829   11.228   0.0000   0.0000   80.829   11.228  ?   ?   108.954   7.6043      ?      ? 
1 1 1  -17   11   52 o   70.336   9.9059   35.781   8.8501   38.371   11.072   31.199   14.727   74.863   10.914   65.810   16.534 9.052330 19.81178 
1 1 1  -17   11   53 o  166.312   6.2240  185.162   13.290  177.993   16.219  199.809   23.183  161.676   7.4027  170.947   10.008 -9.271210 12.44805 
1 1 1  -17   11   54 o  137.704   5.2441  128.232   9.7405  138.598   14.662  120.043   13.032  142.633   7.5858  132.775   7.2427 9.858612 10.48815 
1 1 1  -17   11   55 o  138.332   5.2461  130.106   9.7954  133.198   14.587  127.566   13.219  139.797   7.6999  136.867   7.1273 2.929794 10.49226 
1 1 1  -17   11   56 o   45.017   9.5953   12.771   6.4862   20.777   10.267   7.4538   8.3676   53.833   13.957   36.201   13.171 17.63255 19.19066 
1 1 1  -17   11   57 o   92.879   6.4047   60.542   7.8409   49.581   11.815   69.168   10.482   85.049   10.252  100.708   7.6803 -15.65908 12.80946 
1 1 1  -17   11   58 o  107.684   5.9402   79.437   8.5717   77.717   13.058   80.739   11.362  106.587   9.0405  108.781   7.7079 -2.193771 11.88032 
1 1 1  -17   11   59 o  192.147   4.9790  250.804   12.924  262.854   19.208  240.836   17.470  196.318   7.2200  187.976   6.8582 8.342270 9.958074 
1 1 1  -17   11   60 o  153.323   5.1773  160.928   10.703  154.944   15.778  166.027   14.566  150.611   7.7306  156.034   6.8888 -5.422806 10.35462 
1 1 1  -17   11   61 o  171.372   9.1751  201.448   21.308   0.0000   0.0000  201.448   21.308  ?   ?   171.372   9.1751      ?      ? 
1 1 1  -17   11   62 o  102.964   8.5196   76.342   11.405   58.411   17.289   90.157   15.176   91.444   13.952  114.484   9.7817 -23.04056 17.03917 
1 1 1  -17   11   63 o  117.801   5.6838   95.390   8.9937   92.505   13.532   97.672   12.037  116.106   8.6007  119.495   7.4331 -3.389091 11.36762 
1 1 1  -17   11   64 o   63.737   8.3419   27.618   6.9530   36.973   11.030   21.449   8.9567   73.025   11.146   54.449   12.414 18.57663 16.68389 
1 1 1  -17   11   65 f  170.945   5.1034  200.602   11.773  193.849   17.285  206.445   16.079  168.161   7.5851  173.729   6.8296 -5.568192 10.20673 
1 1 1  -17   11   66 o   89.632   6.5290   55.187   7.8835   57.940   11.921   53.047   10.510   91.540   9.6100   87.724   8.8407 3.815216 13.05795 
1 1 1  -17   11   67 o  134.686   6.6243  125.189   11.592  124.344   14.457  126.709   19.399  134.448   7.9347  134.925   10.610 -0.4771729 13.24860 
1 1 1  -17   11   68 o  126.309   7.0193  113.920   10.672  104.047   19.940  117.883   12.634  121.590   12.102  131.029   7.1155 -9.438339 14.03859 
1 1 1  -17   11   69 o   67.141   9.7600   34.974   7.7680   27.835   14.851   37.663   9.1142   60.608   17.254   73.674   9.1289 -13.06633 19.51990 
1 1 1  -17   11   70 o   75.219   7.0136   39.197   7.0713   41.711   10.961   37.405   9.2546   77.134   10.486   73.304   9.3164 3.830399 14.02714 
1 1 1  -17   11   71 o   50.795   9.2631   19.540   6.4064   16.474   10.087   21.612   8.2937   47.302   14.426   54.288   11.624 -6.985901 18.52625 
1 1 1  -17   11   72 o  143.424   5.2090  142.352   10.089  140.509   14.844  143.934   13.754  142.432   7.6905  144.416   7.0279 -1.984055 10.41800 
1 1 1  -17   11   73 o   64.997   7.8281   30.720   6.6362   28.695   10.045   32.289   8.8400   62.235   12.347   67.760   9.6271 -5.525417 15.65625 
1 1 1  -17   11   74 o   72.690   6.9293   37.119   6.7730   39.019   10.333   35.687   8.9682   74.162   10.282   71.218   9.2925 2.944000 13.85862 
1 1 1  -17   11   75 o   78.582   8.5766   45.815   7.9905   44.038   14.664   46.566   9.5296   75.719   14.822   81.445   8.6343 -5.726189 17.15311 
1 1 1  -17   11   76 o   58.867   9.7222   26.018   7.0641   28.029   13.231   25.217   8.3544   59.336   16.062   58.398   10.959 0.9384041 19.44447 
1 1 1  -17   11   77 f   50.954   8.8983   22.627   7.0301   3.5721   12.596   31.249   8.4726   35.640   15.090   66.267   9.4348 -30.62705 17.79661 
1 1 1  -17   11   78 o   59.787   10.915   28.105   8.9158   34.772   13.523   22.979   11.858   65.994   15.402   53.581   15.469 12.41359 21.82921 
1 1 1  -17   11   79 o   33.726   14.299   3.1632   11.334   3.1632   11.334   0.0000   0.0000   33.726   14.299  ?   ?       ?      ? 
1 1 1  -17   11   80 o   51.439   16.372   21.641   12.848   21.641   12.848   0.0000   0.0000   51.439   16.372  ?   ?       ?      ? 
1 1 1  -17   11   81 o   29.347   13.283  -3.2228   11.340  -3.2228   11.340   0.0000   0.0000   29.347   13.283  ?   ?       ?      ? 
1 1 1  -17   11   82 o   51.469   16.654   22.155   13.252   22.155   13.252   0.0000   0.0000   51.469   16.654  ?   ?       ?      ? 
1 1 1  -17   11   83 o   47.939   16.585   18.894   13.120   18.894   13.120   0.0000   0.0000   47.939   16.585  ?   ?       ?      ? 
1 1 1  -17   12    1 o  318.643   5.1149  688.061   22.062  656.840   30.345  723.064   32.131  310.996   7.2003  326.290   7.2666 -15.29437 10.22981 
1 1 1  -17   12    2 o  337.293   5.2378  772.735   23.932  799.395   33.970  746.463   33.722  343.080   7.3067  331.505   7.5066 11.57477 10.47555 
1 1 1  -17   12    3 o  251.049   4.7521  427.586   16.160  418.371   22.446  437.503   23.284  248.246   6.6721  253.852   6.7686 -5.605743 9.504282 
1 1 1  -17   12    4 o  235.325   4.6909  375.715   14.954  367.446   20.818  384.529   21.495  232.654   6.6031  237.997   6.6647 -5.342468 9.381817 
1 1 1  -17   12    5 o  224.524   4.6684  341.929   14.198  329.878   19.766  354.773   20.407  220.440   6.6169  228.609   6.5872 -8.168732 9.336738 
1 1 1  -17   12    6 o  257.260   4.7767  449.375   16.650  455.017   23.459  443.647   23.637  258.893   6.6865  255.628   6.8233 3.265213 9.553338 
1 1 1  -17   12    7 o  200.471   4.6318  272.336   12.570  256.683   17.401  289.419   18.179  194.454   6.6037  206.488   6.4965 -12.03436 9.263557 
1 1 1  -17   12    8 o  212.509   4.6383  306.318   13.352  296.609   18.590  316.661   19.189  209.034   6.5627  215.984   6.5562 -6.950653 9.276509 
1 1 1  -17   12    9 o  211.689   5.5064  306.574   15.480  315.976   20.163  293.075   24.159  215.729   6.8971  207.649   8.5854 8.080704 11.01273 
1 1 1  -17   12   10 o  211.099   5.5332  304.512   15.516  312.212   20.190  293.402   24.251  214.437   6.9478  207.762   8.6135 6.675095 11.06633 
1 1 1  -17   12   11 o  251.878   5.2233  426.918   16.076  421.824   18.943  440.030   30.390  249.342   5.6062  254.414   8.8148 -5.071548 10.44653 
1 1 1  -17   12   12 o  240.373   5.1247  385.449   15.071  376.608   17.728  408.492   28.620  235.602   5.5525  245.144   8.6151 -9.541489 10.24946 
1 1 1  -17   12   13 o  221.599   5.0268  324.782   13.734  313.241   16.196  354.322   25.913  214.868   5.5624  228.330   8.3746 -13.46214 10.05356 
1 1 1  -17   12   14 o  264.531   5.2916  469.107   17.065  461.337   20.057  489.480   32.477  260.752   5.6763  268.310   8.9322 -7.557831 10.58325 
1 1 1  -17   12   15 o  328.126   5.8821  750.699   23.529  777.122   28.029  687.650   43.297  338.386   6.1125  317.867   10.052 20.51871 11.76421 
1 1 1  -17   12   16 o  324.045   6.0495  712.634   26.565  712.634   26.565   0.0000   0.0000  324.045   6.0495  ?   ?       ?      ? 
1 1 1  -17   12   17 o  167.788   5.6102  191.022   12.756  191.022   12.756   0.0000   0.0000  167.788   5.6102  ?   ?       ?      ? 
1 1 1  -17   12   18 o  382.998   6.3585  1024.28   29.577  1060.56   35.153  936.357   54.725  395.246   6.5632  370.750   10.892 24.49628 12.71691 
1 1 1  -17   12   19 o  291.979   5.6947  603.494   20.394  641.030   24.587  520.723   36.511  307.338   5.9035  276.621   9.7399 30.71704 11.38932 
1 1 1  -17   12   20 f  171.384   4.9941  195.528   10.807  188.963   12.989  210.288   19.477  166.871   5.7442  175.897   8.1712 -9.026627 9.988225 
1 1 1  -17   12   21 o  213.639   5.2780  319.967   13.999  336.562   16.970  284.624   24.766  222.706   5.6230  204.571   8.9337 18.13510 10.55597 
1 1 1  -17   12   22 o  355.260   5.9705  816.569   25.191  775.434   28.945  945.026   51.150  337.973   6.3198  372.548   10.132 -34.57523 11.94110 
1 1 1  -17   12   23 o  228.627   5.3499  371.253   15.108  398.488   18.366  314.261   26.568  242.327   5.5928  214.928   9.1218 27.39897 10.69983 
1 1 1  -17   12   24 o  178.125   4.9542  207.996   11.152  195.811   13.349  236.155   20.293  169.856   5.7993  186.393   8.0340 -16.53682 9.908424 
1 1 1  -17   12   25 o  287.575   5.6282  578.323   19.872  602.506   23.829  523.104   36.008  297.937   5.9019  277.214   9.5851 20.72250 11.25643 
1 1 1  -17   12   26 o  332.970   5.9488  770.700   24.210  794.289   28.852  714.578   44.504  342.044   6.2247  323.896   10.139 18.14740 11.89756 
1 1 1  -17   12   27 o  300.753   6.0345  622.696   23.716  645.358   30.125  585.757   38.461  308.201   7.2129  293.306   9.6765 14.89474 12.06895 
1 1 1  -17   12   28 o  257.246   6.8090  453.790   23.549  395.343   33.719  509.434   32.901  240.866   10.330  273.625   8.8730 -32.75890 13.61800 
1 1 1  -17   12   29 o  236.274   5.7208  388.691   17.734  423.834   23.056  337.772   27.752  249.789   6.8112  222.760   9.1935 27.02914 11.44168 
1 1 1  -17   12   30 o  276.243   5.7590  499.046   20.610  455.957   25.199  586.112   35.819  259.037   7.1785  293.449   9.0075 -34.41199 11.51803 
1 1 1  -17   12   31 o  159.130   5.5295  173.920   11.706  182.531   15.394  162.111   18.026  163.907   6.9304  154.352   8.6181 9.555206 11.05901 
1 1 1  -17   12   32 o  245.043   5.2371  392.680   15.819  372.568   18.592  445.411   30.105  234.257   5.8568  255.829   8.6836 -21.57268 10.47411 
1 1 1  -17   12   33 o  207.113   5.4418  307.271   13.952  335.526   17.092  250.836   24.155  222.315   5.6732  191.912   9.2879 30.40356 10.88354 
1 1 1  -17   12   34 o  276.421   6.2558  512.999   21.859  500.674   26.360  540.133   39.112  271.406   7.1670  281.436   10.255 -10.03027 12.51154 
1 1 1  -17   12   35 o  401.650   7.2372  1116.28   37.195  1151.44   46.029  1050.10   63.142  411.356   8.2572  391.943   11.888 19.41269 14.47437 
1 1 1  -17   12   36 f  250.974   4.8656  427.151   16.525  445.218   24.168  411.289   22.645  255.937   6.9682  246.010   6.7926 9.926590 9.731174 
1 1 1  -17   12   37 o  219.013   4.7848  326.724   14.133  288.084   19.878  366.222   20.098  205.853   7.1257  232.173   6.3877 -26.32033 9.569674 
1 1 1  -17   12   38 o  153.415   4.8905  160.123   10.130  158.376   14.935  161.612   13.787  152.617   7.2212  154.213   6.5973 -1.595871 9.781074 
1 1 1  -17   12   39 o  264.483   4.9336  476.119   17.658  449.359   25.059  502.509   24.885  257.065   7.1935  271.900   6.7538 -14.83572 9.867191 
1 1 1  -17   12   40 o  274.556   7.2029  512.643   26.799  512.643   26.799   0.0000   0.0000  274.556   7.2029  ?   ?       ?      ? 
1 1 1  -17   12   41 o  227.897   5.9604  356.257   17.130  346.758   30.196  360.765   20.802  225.420   9.8848  230.374   6.6632 -4.953781 11.92090 
1 1 1  -17   12   42 o  178.525   5.9431  214.020   13.277  225.095   24.196  209.249   15.881  181.610   9.8317  175.441   6.6799 6.169479 11.88622 
1 1 1  -17   12   43 o  255.976   10.063  447.423   34.906  447.423   34.906   0.0000   0.0000  255.976   10.063  ?   ?       ?      ? 
1 1 1  -17   12   44 o  211.312   6.9490  306.833   19.581  292.986   30.140  316.947   25.758  207.004   10.745  215.620   8.8153 -8.616302 13.89800 
1 1 1  -17   12   45 o  114.902   7.5138   89.865   11.700   0.0000   0.0000   89.865   11.700  ?   ?   114.902   7.5138      ?      ? 
1 1 1  -17   12   46 o   92.689   6.3980   57.539   7.9403   65.537   12.458   52.067   10.304   97.991   9.3819   87.386   8.7015 10.60475 12.79596 
1 1 1  -17   12   47 o  147.282   5.1150  149.069   10.108  132.783   14.813  163.259   13.827  139.625   7.8287  154.939   6.5853 -15.31406 10.23003 
1 1 1  -17   12   48 o   62.292   8.2460   27.199   6.6991   26.436   10.402   27.739   8.7567   60.888   13.003   63.696   10.145 -2.808716 16.49192 
1 1 1  -17   12   49 o  192.558   4.9634  249.344   12.874  284.275   19.496  222.337   17.143  204.371   7.0396  180.745   6.9991 23.62584 9.926888 
1 1 1  -17   12   50 o  240.686   6.2636  392.956   19.312  387.962   23.653  402.944   33.450  238.687   7.3125  242.684   10.171 -3.997818 12.52711 
1 1 1  -17   12   51 o  186.546   6.2392  236.701   14.974  234.773   18.442  240.430   25.650  185.655   7.3302  187.438   10.098 -1.782944 12.47844 
1 1 1  -17   12   52 o  148.920   5.3028  153.671   10.514  125.828   15.278  178.719   14.491  135.794   8.3025  162.046   6.5991 -26.25256 10.60559 
1 1 1  -17   12   53 o  130.938   5.4017  116.079   9.5350  124.734   14.400  109.323   12.724  135.230   7.8580  126.646   7.4139 8.583229 10.80340 
1 1 1  -17   12   54 o  104.584   6.0339   74.351   8.4877   77.703   12.929   71.813   11.252  106.602   8.9497  102.567   8.0955 4.034935 12.06788 
1 1 1  -17   12   55 o  162.489   5.1001  179.145   11.186  189.548   16.738  170.751   15.036  166.702   7.4094  158.276   7.0102 8.426666 10.20013 
1 1 1  -17   12   56 o  168.720   5.0838  195.050   11.562  183.282   16.917  205.365   15.838  163.854   7.6187  173.586   6.7331 -9.732529 10.16756 
1 1 1  -17   12   57 o  109.751   5.8570   82.050   8.6456   85.121   13.154   79.715   11.472  111.497   8.7055  108.005   7.8379 3.491989 11.71406 
1 1 1  -17   12   58 o  111.440   6.6198   85.004   9.9236   83.269   13.198   87.261   15.053  110.215   8.8363  112.666   9.8594 -2.451736 13.23965 
1 1 1  -17   12   59 o   58.439   10.063   24.891   7.9220   27.797   11.072   21.843   11.339   61.997   13.557   54.881   14.875 7.116589 20.12575 
1 1 1  -17   12   60 o  116.916   7.2372   97.450   10.205   87.154   18.924  101.672   12.118  111.905   12.479  121.926   7.3341 -10.02111 14.47444 
1 1 1  -17   12   61 o  130.574   5.5816  118.494   9.7364  101.638   14.278  133.144   13.311  121.619   8.6635  139.529   7.0399 -17.91058 11.16316 
1 1 1  -17   12   62 o  169.229   5.1213  197.671   11.647  174.082   16.812  219.442   16.151  159.304   7.7880  179.155   6.6527 -19.85118 10.24259 
1 1 1  -17   12   63 o   73.051   7.3520   36.282   7.1824   41.645   11.332   32.680   9.2857   77.405   10.803   68.697   9.9747 8.707954 14.70398 
1 1 1  -17   12   64 o   94.596   6.3468   63.535   7.8788   52.753   12.080   71.517   10.394   87.147   10.229  102.046   7.5161 -14.89970 12.69356 
1 1 1  -17   12   65 o   52.110   10.017   20.524   8.3087   31.852   10.856   4.5033   12.910   66.235   12.554   37.985   15.614 28.24968 20.03462 
1 1 1  -17   12   66 o   70.203   16.841   37.366   15.816   37.366   15.816   0.0000   0.0000   70.203   16.841  ?   ?       ?      ? 
1 1 1  -17   12   67 o  153.706   5.3456  164.472   10.987  151.317   16.529  174.886   14.707  147.892   8.2473  159.519   6.8033 -11.62709 10.69127 
1 1 1  -17   12   68 o  122.505   5.6720  105.680   9.2366   91.098   13.823  117.443   12.415  114.432   8.9141  130.578   7.0161 -16.14606 11.34397 
1 1 1  -17   12   69 o   50.094   7.8898   19.726   6.3941  -0.3211   9.8768   34.189   8.3894   30.147   13.072   70.041   8.8389 -39.89368 15.77952 
1 1 1  -17   12   70 o   34.092   9.2198   5.9603   5.8638   8.4972   9.2716   4.2691   7.5701   37.308   13.816   30.877   12.212 6.430792 18.43965 
1 1 1  -17   12   71 o   65.527   7.6698   31.176   6.5584   29.434   9.9325   32.523   8.7328   63.076   12.060   67.978   9.4798 -4.902035 15.33957 
1 1 1  -17   12   72 o   61.055   8.2010   28.560   6.4641   19.613   9.6520   35.836   8.7045   50.721   13.714   71.389   8.9977 -20.66770 16.40202 
1 1 1  -17   12   73 o   30.957   9.3217   2.1836   6.4512  -4.0814   12.837   4.3005   7.4620   31.387   14.176   30.527   12.108 0.8600368 18.64340 
1 1 1  -17   12   74 f   64.512   9.5927   26.976   7.4196   45.874   14.751   20.576   8.5845   76.981   14.676   52.043   12.357 24.93765 19.18539 
1 1 1  -17   12   75 o   50.839   10.626   18.276   7.1064   26.145   13.964   15.526   8.2554   56.639   16.906   45.040   12.879 11.59851 21.25242 
1 1 1  -17   12   76 o  110.345   7.9012   89.561   11.619   84.154   17.738   93.625   15.377  106.580   12.281  114.109   9.9439 -7.528473 15.80244 
1 1 1  -17   12   77 o   37.919   10.432   7.4945   7.7219   14.089   12.208   3.0966   9.9695   43.740   15.910   32.099   13.498 11.64172 20.86463 
1 1 1  -17   12   78 f   47.316   16.423   17.732   12.869   17.732   12.869   0.0000   0.0000   47.316   16.423  ?   ?       ?      ? 
1 1 1  -17   12   79 o   44.910   16.278   15.493   12.764   15.493   12.764   0.0000   0.0000   44.910   16.278  ?   ?       ?      ? 
1 1 1  -17   12   80 o   46.847   16.651   17.607   13.283   17.607   13.283   0.0000   0.0000   46.847   16.651  ?   ?       ?      ? 
1 1 1  -17   12   81 o   39.910   15.793   10.350   12.669   10.350   12.669   0.0000   0.0000   39.910   15.793  ?   ?       ?      ? 
1 1 1  -17   13    1 o  285.953   7.1128  555.568   27.562   0.0000   0.0000  555.568   27.562  ?   ?   285.953   7.1128      ?      ? 
1 1 1  -17   13    2 o  170.572   6.2790  197.609   13.169  198.854   24.485  197.103   15.621  170.797   10.579  170.346   6.7669 0.4505463 12.55799 
1 1 1  -17   13    3 o  185.280   10.669  234.025   26.787   0.0000   0.0000  234.025   26.787  ?   ?   185.280   10.669      ?      ? 
1 1 1  -17   13    4 o  162.643   5.4264  179.770   11.708  179.952   18.563  179.649   15.087  162.660   8.4213  162.627   6.8458 0.3248596E-01 10.85281 
1 1 1  -17   13    5 o   80.165   7.3955   47.142   7.3112   32.646   11.212   57.866   9.6435   68.062   12.621   92.268   7.7126 -24.20582 14.79099 
1 1 1  -17   13    6 o  136.910   6.8628  127.323   12.733   0.0000   0.0000  127.323   12.733  ?   ?   136.910   6.8628      ?      ? 
1 1 1  -17   13    7 o  200.533   6.6845  273.119   18.165   0.0000   0.0000  273.119   18.165  ?   ?   200.533   6.6845      ?      ? 
1 1 1  -17   13    8 o  251.403   9.0209  430.091   30.733  430.091   30.733   0.0000   0.0000  251.403   9.0209  ?   ?       ?      ? 
1 1 1  -17   13    9 o  230.480   5.5075  360.870   16.468  360.335   20.509  361.841   27.629  230.346   6.5702  230.614   8.8409 -0.2680511 11.01492 
1 1 1  -17   13   10 o  214.646   5.3728  311.826   15.017  308.479   18.749  317.817   25.083  213.134   6.4914  216.158   8.5632 -3.023926 10.74554 
1 1 1  -17   13   11 o  122.062   5.4745   99.890   8.8430   95.205   11.231  107.533   14.345  118.383   7.0006  125.742   8.4185 -7.358917 10.94894 
1 1 1  -17   13   12 o   92.086   6.0079   58.023   7.3392   59.464   9.5234   55.916   11.517   93.540   7.5130   90.631   9.3772 2.909439 12.01571 
1 1 1  -17   13   13 o  176.041   6.4646  210.450   15.422  210.450   15.422   0.0000   0.0000  176.041   6.4646  ?   ?       ?      ? 
1 1 1  -17   13   14 o  180.422   6.5680  221.075   16.059  221.075   16.059   0.0000   0.0000  180.422   6.5680  ?   ?       ?      ? 
1 1 1  -17   13   15 o  164.993   5.4084  185.232   11.781  185.914   15.067  184.158   18.899  165.443   6.7205  164.542   8.4757 0.9013519 10.81680 
1 1 1  -17   13   16 o  258.816   9.0488  455.899   31.737   0.0000   0.0000  455.899   31.737  ?   ?   258.816   9.0488      ?      ? 
1 1 1  -17   13   17 o  254.512   5.6556  439.409   18.787  436.606   23.553  444.312   31.151  253.518   6.8557  255.507   8.9967 -1.989731 11.31110 
1 1 1  -17   13   18 o  284.485   5.5902  556.918   19.532  566.355   23.266  534.391   35.948  288.830   5.9443  280.140   9.4692 8.690002 11.18033 
1 1 1  -17   13   19 o  216.980   5.1278  313.874   13.837  305.070   16.449  335.188   25.593  211.994   5.7257  221.967   8.5084 -9.972305 10.25556 
1 1 1  -17   13   20 o  254.665   5.3004  433.177   16.546  423.251   19.490  458.796   31.312  249.698   5.7598  259.633   8.8996 -9.935394 10.60089 
1 1 1  -17   13   21 o  132.121   5.2877  119.384   8.9003  120.831   10.906  116.498   15.401  133.401   6.0328  130.841   8.6859 2.559830 10.57541 
1 1 1  -17   13   22 o   85.850   6.0817   49.989   6.8587   49.492   8.6715   50.819   11.209   85.326   7.4994   86.374   9.5765 -1.047531 12.16350 
1 1 1  -17   13   23 f  177.244   5.2840  223.243   11.649  240.925   14.263  187.810   20.191  188.393   5.5867  166.094   8.9705 22.29866 10.56794 
1 1 1  -17   13   24 o  166.987   5.0102  184.315   10.596  175.574   12.735  203.981   19.101  160.809   5.8440  173.165   8.1398 -12.35593 10.02037 
1 1 1  -17   13   25 o  156.907   5.6699  168.413   11.951  175.803   16.095  159.331   17.841  160.812   7.3857  153.003   8.6049 7.809250 11.33985 
1 1 1  -17   13   26 o  201.552   5.7063  280.723   15.299  306.125   20.401  248.086   23.125  212.226   7.0938  190.878   8.9401 21.34845 11.41258 
1 1 1  -17   13   27 f  196.846   5.1016  257.846   12.578  249.305   15.019  277.906   23.017  191.617   5.7838  202.074   8.4054 -10.45761 10.20311 
1 1 1  -17   13   28 o  179.602   5.2875  224.805   11.925  234.811   14.556  204.381   20.797  185.960   5.7760  173.244   8.8584 12.71634 10.57510 
1 1 1  -17   13   29 o  221.563   5.1771  324.499   14.243  311.457   16.868  356.903   26.588  214.164   5.8120  228.962   8.5692 -14.79842 10.35421 
1 1 1  -17   13   30 o  197.376   5.0498  250.140   12.444  229.475   14.683  302.809   23.442  183.820   5.8946  210.932   8.2010 -27.11214 10.09963 
1 1 1  -17   13   31 o  153.475   6.0166  159.988   12.513  159.988   12.513   0.0000   0.0000  153.475   6.0166  ?   ?       ?      ? 
1 1 1  -17   13   32 o  168.586   5.9524  193.044   13.599  193.044   13.599   0.0000   0.0000  168.586   5.9524  ?   ?       ?      ? 
1 1 1  -17   13   33 o  255.802   5.5970  461.673   17.711  488.757   21.460  403.817   31.365  268.249   5.9034  243.355   9.5108 24.89452 11.19400 
1 1 1  -17   13   34 o  284.195   5.5865  537.580   19.474  521.925   22.918  578.245   36.937  277.171   6.1016  291.218   9.3597 -14.04691 11.17295 
1 1 1  -17   13   35 o  161.270   5.6907  174.771   12.330  160.487   16.199  194.451   19.013  153.561   7.7841  168.979   8.3031 -15.41803 11.38134 
1 1 1  -17   13   36 o  202.960   5.7208  279.741   15.507  276.214   20.221  284.776   24.161  201.492   7.4056  204.429   8.7216 -2.937607 11.44155 
1 1 1  -17   13   37 o  214.279   5.8829  315.731   16.818  332.335   22.281  293.749   25.637  221.001   7.4399  207.557   9.1149 13.44427 11.76578 
1 1 1  -17   13   38 o  325.338   5.3485  719.420   23.541  736.221   34.449  704.700   32.245  328.865   7.7299  321.811   7.3941 7.053558 10.69691 
1 1 1  -17   13   39 o  232.815   5.7552  357.853   17.650  324.458   22.086  416.875   29.362  218.343   7.4645  247.286   8.7620 -28.94319 11.51048 
1 1 1  -17   13   40 o  172.919   6.8441  200.242   15.769  225.103   25.195  184.231   20.219  181.495   10.244  164.343   9.0789 17.15204 13.68828 
1 1 1  -17   13   41 o   55.965   9.4010   22.120   6.8183   23.171   11.366   21.528   8.5222   56.906   14.651   55.024   11.784 1.882717 18.80208 
1 1 1  -17   13   42 o  112.718   6.7425   81.558   9.2795   98.881   18.179   75.453   10.791  120.166   11.163  105.270   7.5647 14.89618 13.48503 
1 1 1  -17   13   43 o  163.831   6.1870  179.423   12.403  191.626   23.576  174.754   14.584  167.381   10.394  160.281   6.7144 7.100327 12.37409 
1 1 1  -17   13   44 o  106.342   5.7836   77.062   8.2460   77.246   12.620   76.924   10.893  106.407   8.7518  106.277   7.5636 0.1299438 11.56729 
1 1 1  -17   13   45 o  125.884   5.5122  109.608   9.2582   94.563   13.696  122.267   12.563  117.734   8.5846  134.034   6.9167 -16.29992 11.02431 
1 1 1  -17   13   46 o  209.543   7.2029  298.994   20.453  298.994   20.453   0.0000   0.0000  209.543   7.2029  ?   ?       ?      ? 
1 1 1  -17   13   47 o  146.694   5.1864  147.427   10.231  138.567   15.161  154.834   13.864  142.567   7.8475  150.820   6.7832 -8.253128 10.37278 
1 1 1  -17   13   48 o  101.724   7.4336   69.882   9.8699   67.200   12.289   74.756   16.566   99.156   9.1458  104.292   11.721 -5.135963 14.86730 
1 1 1  -17   13   49 o  116.141   5.6708   92.135   8.8641   91.198   13.299   92.885   11.890  115.560   8.4925  116.723   7.5171 -1.162918 11.34153 
1 1 1  -17   13   50 o  154.031   5.1568  161.102   10.710  167.863   16.102  155.738   14.342  156.881   7.5740  151.182   7.0004 5.699371 10.31367 
1 1 1  -17   13   51 o  206.811   4.9959  292.723   13.937  275.957   20.330  307.591   19.144  201.130   7.4590  212.492   6.6483 -11.36232 9.991796 
1 1 1  -17   13   52 o  125.582   5.5817  109.265   9.3280   97.841   14.146  118.054   12.408  119.578   8.7294  131.585   6.9585 -12.00732 11.16348 
1 1 1  -17   13   53 o  115.841   5.7726   92.170   8.9289   89.241   13.738   94.311   11.749  114.144   8.8816  117.538   7.3762 -3.394447 11.54516 
1 1 1  -17   13   54 o  126.542   5.5183  109.594   9.3688  108.608   14.254  110.344   12.431  125.958   8.3510  127.125   7.2160 -1.167030 11.03670 
1 1 1  -17   13   55 o  106.542   6.6592   77.554   9.5753   73.391   12.857   82.739   14.349  103.387   9.1767  109.697   9.6523 -6.310051 13.31840 
1 1 1  -17   13   56 o   70.675   8.8059   35.264   8.2458   35.543   11.384   34.956   11.960   71.594   11.734   69.757   13.134 1.837265 17.61188 
1 1 1  -17   13   57 o  204.646   5.0976  283.746   14.046  310.030   21.394  263.835   18.621  212.840   7.4175  196.452   6.9945 16.38745 10.19515 
1 1 1  -17   13   58 f  143.936   6.5197  144.250   11.561  138.949   21.145  146.511   13.807  141.520   11.026  146.352   6.9618 -4.831467 13.03948 
1 1 1  -17   13   59 o   77.179   7.2505   40.989   7.4545   42.721   11.767   39.828   9.6347   78.391   11.076   75.966   9.3591 2.424812 14.50108 
1 1 1  -17   13   60 o  100.032   6.0062   67.533   8.0500   78.609   12.590   59.874   10.469  106.790   8.7001   93.274   8.2829 13.51679 12.01245 
1 1 1  -17   13   61 o   53.434   9.2426   19.904   6.6040   27.483   10.549   15.019   8.4690   61.332   13.091   45.536   13.052 15.79614 18.48529 
1 1 1  -17   13   62 o   98.490   6.0765   65.322   7.9973   77.953   12.658   56.931   10.317  106.166   8.7985   90.814   8.3834 15.35281 12.15300 
1 1 1  -17   13   63 o   76.915   10.558   43.422   10.559   48.803   15.929   39.203   14.104   81.181   15.033   72.650   14.828 8.530418 21.11513 
1 1 1  -17   13   64 o   77.113   9.2820   45.244   8.1023   38.679   15.675   47.638   9.4648   71.295   16.544   82.931   8.4219 -11.63626 18.56395 
1 1 1  -17   13   65 o   50.899   9.1597   19.205   6.2664   19.219   9.7844   19.196   8.1594   50.764   13.842   51.033   12.000 -0.2693443 18.31944 
1 1 1  -17   13   66 o   47.320   8.9220   14.539   6.1859   27.273   9.9692   6.5665   7.8882   60.738   12.528   33.902   12.707 26.83657 17.84391 
1 1 1  -17   13   67 o   44.025   8.8901   14.739   5.9981   6.7359   9.3680   20.300   7.8086   35.542   13.721   52.508   11.308 -16.96573 17.78024 
1 1 1  -17   13   68 o   80.301   6.6550   46.143   7.0878   40.172   10.711   50.795   9.4537   75.236   10.506   85.367   8.1720 -10.13112 13.30993 
1 1 1  -17   13   69 o   93.115   6.2042   61.610   7.7193   53.787   11.377   68.285   10.508   87.242   9.6231   98.989   7.8337 -11.74722 12.40848 
1 1 1  -17   13   70 o   86.869   6.3907   53.680   7.4153   49.939   11.225   56.576   9.8776   83.826   9.8814   89.911   8.1070 -6.084404 12.78139 
1 1 1  -17   13   71 o   59.393   10.055   27.224   7.3534   27.193   14.136   27.236   8.6101   58.038   16.928   60.747   10.858 -2.708595 20.11085 
1 1 1  -17   13   72 o   60.081   10.067   27.187   7.3885   30.397   14.258   26.008   8.6389   61.098   16.730   59.064   11.203 2.033863 20.13449 
1 1 1  -17   13   73 o   37.738   9.9412   9.5658   6.5900   3.6107   13.224   11.533   7.6011   36.104   15.380   39.371   12.600 -3.267101 19.88237 
1 1 1  -17   13   74 o   33.647   9.8080   4.1423   7.4864  -3.4232   12.424   8.4557   9.3809   30.787   13.922   36.506   13.819 -5.719240 19.61604 
1 1 1  -17   13   75 o   34.572   10.094   5.1737   7.5306   3.6242   12.417   6.0754   9.4714   35.043   14.916   34.101   13.605 0.9425278 20.18811 
1 1 1  -17   13   76 o   46.623   16.510   17.129   13.049   17.129   13.049   0.0000   0.0000   46.623   16.510  ?   ?       ?      ? 
1 1 1  -17   13   77 f   74.054   15.306   44.553   14.853   44.553   14.853   0.0000   0.0000   74.054   15.306  ?   ?       ?      ? 
1 1 1  -17   13   78 o   80.605   14.507   51.999   15.264   51.999   15.264   0.0000   0.0000   80.605   14.507  ?   ?       ?      ? 
1 1 1  -17   13   79 o   57.783   17.154   29.056   14.406   29.056   14.406   0.0000   0.0000   57.783   17.154  ?   ?       ?      ? 
1 1 1  -17   14    1 o  273.219   4.9406  507.667   18.283  517.787   25.618  497.162   26.101  276.013   6.8492  270.426   7.1223 5.586975 9.881261 
1 1 1  -17   14    2 f  189.660   6.1579  246.965   14.605  239.609   26.122  250.311   17.615  187.403   10.286  191.917   6.7730 -4.513489 12.31581 
1 1 1  -17   14    3 o  206.849   6.0423  286.800   15.695  303.199   28.457  279.630   18.816  210.858   9.9589  202.840   6.8454 8.017746 12.08468 
1 1 1  -17   14    4 o  171.995   4.7519  200.954   11.067  199.268   15.322  202.793   16.002  171.250   6.6023  172.740   6.8360 -1.490295 9.503803 
1 1 1  -17   14    5 f   95.840   5.6444   62.062   7.2634   51.156   9.8680   74.958   10.730   86.693   8.3996  104.987   7.5420 -18.29356 11.28874 
1 1 1  -17   14    6 o  204.011   6.7736  282.839   18.726   0.0000   0.0000  282.839   18.726  ?   ?   204.011   6.7736      ?      ? 
1 1 1  -17   14    7 o  145.814   4.9005  144.016   9.6530  128.837   13.270  161.073   14.068  137.670   7.1130  153.958   6.7427 -16.28798 9.800953 
1 1 1  -17   14    8 o  139.205   6.3568  125.120   11.001  149.285   20.828  115.770   12.955  147.921   10.390  130.489   7.3264 17.43227 12.71354 
1 1 1  -17   14    9 o  130.385   7.7601  115.634   13.711  115.634   13.711   0.0000   0.0000  130.385   7.7601  ?   ?       ?      ? 
1 1 1  -17   14   10 o  156.282   5.6544  165.831   11.975  165.831   11.975   0.0000   0.0000  156.282   5.6544  ?   ?       ?      ? 
1 1 1  -17   14   11 o  200.574   5.5562  273.128   15.102  273.128   15.102   0.0000   0.0000  200.574   5.5562  ?   ?       ?      ? 
1 1 1  -17   14   12 o   99.074   5.9688   68.621   7.4106   71.899   9.0396   61.905   12.941  102.872   6.4844   95.276   10.023 7.595993 11.93763 
1 1 1  -17   14   13 o  179.794   5.1566  219.222   11.441  218.427   13.601  221.146   21.158  179.365   5.5959  180.223   8.6632 -0.8583527 10.31330 
1 1 1  -17   14   14 o  192.062   5.2270  253.463   12.374  257.299   14.770  244.429   22.665  194.670   5.5987  189.453   8.8283 5.217285 10.45396 
1 1 1  -17   14   15 o  189.360   5.1262  235.468   12.000  224.320   14.145  264.099   22.668  181.756   5.7430  196.963   8.4928 -15.20686 10.25232 
1 1 1  -17   14   16 o  270.499   6.0104  504.208   21.470  528.068   27.816  469.041   33.770  278.672   7.3658  262.326   9.4996 16.34598 12.02075 
1 1 1  -17   14   17 o  256.679   5.4429  449.274   17.105  450.771   20.260  445.558   31.916  257.642   5.8029  255.716   9.2102 1.926636 10.88586 
1 1 1  -17   14   18 o  280.276   5.5503  530.002   18.961  524.356   22.317  544.659   35.956  277.861   5.9268  282.690   9.3860 -4.829193 11.10060 
1 1 1  -17   14   19 o  295.368   5.6584  588.961   20.302  583.118   23.848  604.349   38.699  293.005   6.0060  297.731   9.5916 -4.726715 11.31686 
1 1 1  -17   14   20 o  188.554   5.2339  243.417   12.319  246.036   14.826  237.578   22.142  190.342   5.7479  186.766   8.7484 3.575928 10.46770 
1 1 1  -17   14   21 o  206.485   5.2593  291.101   13.461  292.769   16.092  287.213   24.565  207.634   5.7190  205.336   8.8280 2.297760 10.51863 
1 1 1  -17   14   22 o  152.057   5.8294  157.773   11.911  160.418   15.923  154.414   17.946  153.556   7.6520  150.557   8.7962 2.999176 11.65871 
1 1 1  -17   14   23 o  159.147   7.1265  177.121   14.809  154.788   23.496  191.841   19.075  150.443   11.525  167.851   8.3861 -17.40741 14.25297 
1 1 1  -17   14   24 o  156.374   5.7000  166.744   11.890  168.151   15.540  164.758   18.464  157.236   7.2933  155.512   8.7617 1.724243 11.40000 
1 1 1  -17   14   25 o  171.454   5.6965  201.669   12.983  208.804   16.971  191.599   20.161  175.224   7.1471  167.684   8.8725 7.540833 11.39308 
1 1 1  -17   14   26 o  210.558   5.6179  296.279   15.613  278.988   19.698  325.498   25.607  202.535   7.1769  218.581   8.6449 -16.04655 11.23582 
1 1 1  -17   14   27 o  123.324   6.0969  104.562   10.078  111.817   13.599   95.724   15.009  128.172   7.8294  118.476   9.3482 9.695786 12.19381 
1 1 1  -17   14   28 o  138.615   5.8819  130.040   10.956  124.859   14.462  137.018   16.784  135.432   7.8798  141.798   8.7347 -6.365921 11.76377 
1 1 1  -17   14   29 o  186.757   7.3144  237.290   18.511  237.290   18.511   0.0000   0.0000  186.757   7.3144  ?   ?       ?      ? 
1 1 1  -17   14   30 o  176.901   5.6073  225.757   12.317  250.658   15.218  178.464   20.973  192.083   5.8465  161.719   9.5700 30.36435 11.21455 
1 1 1  -17   14   31 f  135.085   5.5579  123.423   9.7027  121.555   11.989  126.968   16.517  133.709   6.6169  136.461   8.9319 -2.751816 11.11586 
1 1 1  -17   14   32 o  224.740   5.4021  340.186   15.187  334.502   18.184  353.295   27.615  221.864   6.0482  227.615   8.9527 -5.751282 10.80422 
1 1 1  -17   14   33 o  196.471   5.8852  260.833   15.535  247.332   20.461  279.209   23.871  190.570   7.9232  202.372   8.7045 -11.80190 11.77048 
1 1 1  -17   14   34 o  142.896   5.6052  136.129   10.523  127.791   13.170  150.851   17.501  137.047   7.0915  148.745   8.6824 -11.69826 11.21041 
1 1 1  -17   14   35 o  117.877   7.8163   96.864   11.937   88.805   19.581  101.630   15.059  113.710   12.707  122.045   9.1053 -8.334389 15.63263 
1 1 1  -17   14   36 o  177.332   5.3978  212.303   12.266  208.585   15.009  219.780   21.285  175.153   6.3235  179.511   8.7497 -4.357574 10.79553 
1 1 1  -17   14   37 o   93.926   6.5507   61.531   8.0707   66.387   10.451   54.354   12.704   98.720   7.8120   89.133   10.517 9.586952 13.10134 
1 1 1  -17   14   38 o   77.255   7.4122   41.437   7.5446   43.722   9.7632   38.048   11.887   80.038   9.0015   74.472   11.779 5.566185 14.82442 
1 1 1  -17   14   39 o  105.884   6.8592   76.997   9.7935   82.958   13.582   70.540   14.135  110.230   9.0922  101.539   10.273 8.690598 13.71849 
1 1 1  -17   14   40 o   61.439   9.9963   27.082   8.1412   26.842   11.848   27.297   11.205   61.134   14.518   61.744   13.745 -0.6093903 19.99269 
1 1 1  -17   14   41 o  141.981   5.6388  135.651   10.376  131.503   12.822  143.522   17.663  138.997   6.8071  144.965   8.9914 -5.968536 11.27751 
1 1 1  -17   14   42 o  135.369   5.3080  126.717   9.5858  110.598   14.262  139.999   12.946  127.318   8.2661  143.419   6.6612 -16.10088 10.61598 
1 1 1  -17   14   43 o   87.580   6.4546   52.472   7.5262   52.200   11.779   52.659   9.7839   87.316   9.9548   87.844   8.2189 -0.5288315 12.90926 
1 1 1  -17   14   44 o  108.786   5.7553   80.412   8.3592   82.836   13.071   78.735   10.873  110.104   8.7607  107.467   7.4662 2.636452 11.51057 
1 1 1  -17   14   45 o  111.543   5.8219   85.294   8.7097   82.484   13.178   87.473   11.606  109.838   8.8537  113.248   7.5623 -3.410088 11.64376 
1 1 1  -17   14   46 o   75.082   9.3977   41.492   8.9090   47.425   11.493   32.560   14.102   83.139   10.201   67.024   15.786 16.11485 18.79548 
1 1 1  -17   14   47 o   88.206   6.5232   51.654   7.6760   64.230   12.181   43.372   9.8857   96.831   9.2832   79.581   9.1668 17.25019 13.04634 
1 1 1  -17   14   48 o  224.135   4.9655  341.231   15.029  359.053   22.404  326.650   20.265  229.394   7.2071  218.876   6.8324 10.51825 9.930990 
1 1 1  -17   14   49 o  139.717   5.3929  133.430   10.120  132.926   15.352  133.817   13.457  139.405   8.1268  140.028   7.0916 -0.6237640 10.78584 
1 1 1  -17   14   50 f  150.094   5.9922  148.234   11.940  123.224   15.172  188.922   19.352  134.144   8.3463  166.045   8.6002 -31.90025 11.98430 
1 1 1  -17   14   51 o   73.352   8.3715   37.233   8.3083   36.353   11.383   38.236   12.154   72.460   11.592   74.244   12.081 -1.784363 16.74294 
1 1 1  -17   14   52 o  103.273   6.8409   73.536   9.5084   74.318   12.767   72.562   14.249  103.992   9.0593  102.554   10.253 1.438164 13.68181 
1 1 1  -17   14   53 o  105.507   6.0245   77.825   8.4335   67.718   12.763   85.658   11.236   99.145   9.4998  111.868   7.4116 -12.72322 12.04894 
1 1 1  -17   14   54 o  113.215   5.9518   90.787   8.8435   70.625   13.168  107.350   11.936  101.172   9.6049  125.258   7.0316 -24.08564 11.90367 
1 1 1  -17   14   55 o   81.457   8.2850   42.401   8.2971   55.827   16.267   37.680   9.6461   89.067   13.478   73.847   9.6391 15.21957 16.57000 
1 1 1  -17   14   56 o  105.652   7.4315   80.169   9.4701   71.468   17.518   83.762   11.257  100.829   12.821  110.476   7.5190 -9.646255 14.86309 
1 1 1  -17   14   57 o  118.367   5.6777   96.395   9.0030   96.676   13.817   96.188   11.868  118.378   8.6134  118.355   7.3996 0.2236176E-01 11.35536 
1 1 1  -17   14   58 f  116.844   5.7197   95.214   8.8991   87.065   13.559  101.381   11.795  112.186   8.9185  121.502   7.1638 -9.316101 11.43942 
1 1 1  -17   14   59 o   90.829   9.5322   68.603   9.1992   42.687   17.477   78.536   10.819   74.841   17.538  106.817   7.4744 -31.97568 19.06447 
1 1 1  -17   14   60 o   61.637   10.165   27.377   7.5381   30.063   14.878   26.449   8.7433   62.771   17.049   60.503   11.072 2.267788 20.32906 
1 1 1  -17   14   61 o  108.722   7.0595   82.762   10.141   82.922   12.997   82.512   16.213  109.249   8.7787  108.195   11.058 1.053574 14.11904 
1 1 1  -17   14   62 o  149.066   5.1861  152.713   10.433  161.084   15.624  145.977   14.016  152.651   7.5526  145.481   7.1092 7.170197 10.37220 
1 1 1  -17   14   63 o   76.264   6.8287   40.430   6.9950   43.641   10.771   38.088   9.1989   78.737   10.095   73.792   9.1992 4.945648 13.65746 
1 1 1  -17   14   64 o   49.980   9.1883   18.402   6.2084   21.122   9.7181   16.526   8.0698   52.901   13.509   47.060   12.458 5.841492 18.37651 
1 1 1  -17   14   65 o   67.353   7.5065   32.104   6.7825   33.428   10.431   31.134   8.9275   68.349   11.262   66.356   9.9281 1.993141 15.01298 
1 1 1  -17   14   66 o  108.504   5.7030   81.463   8.3381   89.607   12.640   75.189   11.094  113.188   8.2409  103.819   7.8856 9.368378 11.40590 
1 1 1  -17   14   67 o   71.678   7.6664   38.515   6.9772   30.206   10.510   45.063   9.3294   63.301   12.694   80.055   8.5997 -16.75440 15.33283 
1 1 1  -17   14   68 o   73.674   7.5871   40.652   7.1133   32.233   10.682   47.362   9.5352   65.374   12.513   81.974   8.5836 -16.59968 15.17426 
1 1 1  -17   14   69 o   50.537   9.6054   21.835   7.2824   7.3047   14.021   27.203   8.5220   39.549   16.266   61.524   10.221 -21.97501 19.21071 
1 1 1  -17   14   70 o   66.176   9.7815   33.833   7.7548   33.193   14.874   34.071   9.0877   63.413   16.973   68.938   9.7277 -5.525196 19.56299 
1 1 1  -17   14   71 o   68.840   10.402   37.767   9.2774   36.257   14.534   38.806   12.052   66.564   16.253   71.116   12.984 -4.552025 20.80309 
1 1 1  -17   14   72 o   45.041   10.994   13.465   8.2232   24.431   13.553   7.0758   10.345   54.247   16.752   35.835   14.243 18.41164 21.98817 
1 1 1  -17   14   73 o   41.051   10.872   11.850   8.0531   11.720   12.856   11.934   10.331   41.580   16.067   40.522   14.652 1.057510 21.74462 
1 1 1  -17   14   74 o   79.573   14.294   50.207   14.847   50.207   14.847   0.0000   0.0000   79.573   14.294  ?   ?       ?      ? 
1 1 1  -17   14   75 o   54.211   16.688   24.976   13.462   24.976   13.462   0.0000   0.0000   54.211   16.688  ?   ?       ?      ? 
1 1 1  -17   14   76 f   57.237   16.857   28.264   13.958   28.264   13.958   0.0000   0.0000   57.237   16.857  ?   ?       ?      ? 
1 1 1  -17   14   77 f   67.880   15.888   38.850   14.356   38.850   14.356   0.0000   0.0000   67.880   15.888  ?   ?       ?      ? 
1 1 1  -17   15    1 o  161.402   4.7916  177.188   10.450  177.761   14.262  176.524   15.357  161.706   6.5082  161.098   7.0344 0.6083679 9.583285 
1 1 1  -17   15    2 o   96.165   5.6748   63.166   7.3371   64.638   9.8469   61.328   11.001   97.461   7.4556   94.869   8.5574 2.592491 11.34968 
1 1 1  -17   15    3 o  167.134   4.8960  187.511   11.017  164.767   14.666  216.966   16.689  155.650   6.9530  178.617   6.8950 -22.96742 9.792096 
1 1 1  -17   15    4 o  144.604   4.9589  142.494   9.6792  145.669   13.205  138.807   14.229  146.376   6.6571  142.833   7.3515 3.542831 9.917746 
1 1 1  -17   15    5 o   99.580   5.8277   66.728   7.8047   56.622   10.461   79.415   11.721   91.164   8.4679  107.996   8.0090 -16.83208 11.65539 
1 1 1  -17   15    6 o  128.275   7.1523  107.648   10.620  103.556   12.081  121.562   22.279  123.380   7.2257  133.169   12.345 -9.788818 14.30458 
1 1 1  -17   15    7 o   88.271   8.7089   50.316   8.6509   48.035   9.7100   59.094   19.049   83.965   8.5337   92.577   15.184 -8.612083 17.41775 
1 1 1  -17   15    8 o  181.978   6.9119  225.202   17.045   0.0000   0.0000  225.202   17.045  ?   ?   181.978   6.9119      ?      ? 
1 1 1  -17   15    9 o  183.108   5.5873  230.566   13.323  237.008   16.806  219.668   21.859  186.713   6.6422  179.503   8.9862 7.210129 11.17455 
1 1 1  -17   15   10 o   91.915   6.3743   59.901   7.2091   63.583   8.7107   51.894   12.844   96.708   6.6467   87.122   10.879 9.586090 12.74861 
1 1 1  -17   15   11 o  137.474   5.3926  128.491   9.1421  128.301   10.869  128.950   16.902  137.427   5.8364  137.522   9.0696 -0.9454346E-01 10.78524 
1 1 1  -17   15   12 o  104.795   5.7146   71.949   7.5906   67.227   9.0993   82.753   13.765   99.435   6.7529  110.155   9.2210 -10.71998 11.42923 
1 1 1  -17   15   13 f  150.417   5.4462  156.259   10.109  159.626   12.097  148.466   18.405  153.288   5.8234  147.545   9.2050 5.743134 10.89239 
1 1 1  -17   15   14 o  177.938   5.7928  211.880   13.656  198.899   17.341  233.078   22.160  170.963   7.4848  184.913   8.8434 -13.94939 11.58568 
1 1 1  -17   15   15 o   98.652   9.2549   66.381   12.373   66.381   12.373   0.0000   0.0000   98.652   9.2549  ?   ?       ?      ? 
1 1 1  -17   15   16 o  154.451   5.4430  159.664   10.464  155.666   12.457  169.249   19.288  151.355   6.0733  157.547   9.0343 -6.191620 10.88597 
1 1 1  -17   15   17 f  111.925   5.7244   82.557   8.2075   77.339   9.9455   93.696   14.532  106.640   6.8822  117.210   9.1493 -10.56983 11.44877 
1 1 1  -17   15   18 o  122.762   5.5804   97.474   8.7718   88.065   10.569  118.298   15.724  113.794   6.8540  131.730   8.8082 -17.93597 11.16073 
1 1 1  -17   15   19 o   46.912   9.9128   14.426   7.3370   5.8137   10.323   23.219   10.430   36.828   14.351   56.995   13.678 -20.16642 19.82562 
1 1 1  -17   15   20 o  117.803   5.8978   91.977   8.9896   86.381   11.020  103.110   15.543  112.675   7.2170  122.932   9.3302 -10.25658 11.79565 
1 1 1  -17   15   21 o  170.963   5.3150  192.036   11.505  180.586   13.793  218.225   20.859  162.998   6.2444  178.929   8.6026 -15.93095 10.63002 
1 1 1  -17   15   22 o  155.903   5.3674  162.936   10.672  158.205   12.961  172.893   18.805  152.559   6.2694  159.247   8.7138 -6.687759 10.73483 
1 1 1  -17   15   23 o  166.344   6.1880  195.871   13.399  242.115   18.249  141.788   19.735  188.636   7.1389  144.053   10.110 44.58266 12.37605 
1 1 1  -17   15   24 o  103.006   6.2650   71.027   8.4899   67.119   10.659   77.808   14.040   99.269   7.9239  106.743   9.7064 -7.474289 12.53004 
1 1 1  -17   15   25 o  211.293   6.0168  309.513   16.866  336.432   22.338  273.818   25.723  222.315   7.4146  200.271   9.4779 22.04411 12.03355 
1 1 1  -17   15   26 o  149.598   6.3051  152.150   12.782  152.150   12.782   0.0000   0.0000  149.598   6.3051  ?   ?       ?      ? 
1 1 1  -17   15   27 o  136.215   5.4350  120.733   9.5822  108.792   11.684  145.265   16.747  126.460   6.8179  145.970   8.4661 -19.51077 10.87008 
1 1 1  -17   15   28 o   90.761   6.5655   56.959   7.7863   59.166   9.8985   53.377   12.610   93.195   7.8378   88.328   10.535 4.867165 13.13107 
1 1 1  -17   15   29 o  146.283   5.4078  143.554   10.165  139.063   12.436  152.596   17.646  143.000   6.4174  149.567   8.7061 -6.566971 10.81563 
1 1 1  -17   15   30 o  104.957   7.7284   73.872   10.791   83.571   17.348   67.751   13.782  110.388   11.597   99.526   10.219 10.86202 15.45689 
1 1 1  -17   15   31 o  177.604   5.9068  215.814   14.037  219.822   18.539  210.429   21.487  179.639   7.6157  175.569   9.0310 4.069885 11.81351 
1 1 1  -17   15   32 o   97.667   6.7759   67.842   8.4884   75.299   10.799   55.784   13.732  105.134   7.5797   90.201   11.234 14.93341 13.55175 
1 1 1  -17   15   33 o  209.124   5.7335  314.230   14.914  345.221   18.380  254.499   25.517  225.327   6.0192  192.921   9.7603 32.40688 11.46706 
1 1 1  -17   15   34 o  195.730   5.5196  261.259   13.559  261.453   16.349  260.831   24.268  196.068   6.1531  195.391   9.1653 0.6777954 11.03918 
1 1 1  -17   15   35 f   55.937   9.7971   22.724   7.3326   24.397   9.5219   20.287   11.494   58.478   12.400   53.397   15.171 5.081158 19.59423 
1 1 1  -17   15   36 o   98.498   6.7385   67.335   8.6671   70.327   11.029   62.503   14.015  101.537   8.0154   95.459   10.834 6.078354 13.47700 
1 1 1  -17   15   37 o  155.895   6.1411  167.489   12.819  177.716   17.197  154.703   19.229  161.412   7.8621  150.379   9.4361 11.03323 12.28217 
1 1 1  -17   15   38 o  160.453   5.6498  176.226   11.584  177.318   14.218  174.069   19.979  161.388   6.5009  159.518   9.2423 1.870041 11.29967 
1 1 1  -17   15   39 o  133.547   5.7454  118.606   9.9549  111.424   12.245  132.603   17.095  127.865   7.0671  139.229   9.0605 -11.36420 11.49072 
1 1 1  -17   15   40 o  113.241   6.1767   89.047   9.0756   92.754   11.443   82.763   14.900  116.630   7.2403  109.853   10.009 6.777107 12.35335 
1 1 1  -17   15   41 o   79.083   7.5259   43.056   7.8696   43.308   10.102   42.665   12.552   79.505   9.3759   78.662   11.775 0.8431168 15.05181 
1 1 1  -17   15   42 o  125.200   6.0872  109.556   9.7636  114.914   12.162   99.841   16.375  129.816   6.9133  120.583   10.021 9.233032 12.17446 
1 1 1  -17   15   43 o   74.616   9.9231   38.246   10.034   38.246   10.034   0.0000   0.0000   74.616   9.9231  ?   ?       ?      ? 
1 1 1  -17   15   44 o  137.967   5.9389  132.915   10.456  138.602   12.950  122.263   17.723  142.550   6.7036  133.383   9.8053 9.167053 11.87781 
1 1 1  -17   15   45 o   73.817   8.2832   37.644   8.2781   35.683   11.441   39.799   11.993   71.798   11.759   75.837   11.669 -4.039726 16.56633 
1 1 1  -17   15   46 o  107.060   7.1385   81.203   10.043   97.929   13.732   61.969   14.726  119.512   8.4792   94.608   11.486 24.90470 14.27704 
1 1 1  -17   15   47 o  128.377   5.5257  111.948   9.5458  120.335   14.564  105.631   12.640  132.506   8.1106  124.248   7.5069 8.258026 11.05148 
1 1 1  -17   15   48 o  141.380   5.3243  135.794   10.113  144.691   15.535  129.253   13.321  145.295   7.8903  137.465   7.1510 7.829880 10.64864 
1 1 1  -17   15   49 o   96.511   6.5164   65.822   8.2503   56.090   12.798   72.743   10.792   90.013   10.492  103.009   7.7312 -12.99580 13.03279 
1 1 1  -17   15   50 o   75.517   7.2849   38.094   7.3098   47.226   11.842   32.472   9.2912   82.523   10.589   68.512   10.007 14.01037 14.56977 
1 1 1  -17   15   51 o   94.818   8.0023   61.787   10.282   0.0000   0.0000   61.787   10.282  ?   ?    94.818   8.0023      ?      ? 
1 1 1  -17   15   52 o  127.535   5.4816  110.216   9.3582  121.616   14.662  102.380   12.156  132.930   8.1393  122.141   7.3445 10.78903 10.96312 
1 1 1  -17   15   53 o   55.750   10.062   24.285   7.2708   15.970   14.710   26.973   8.3639   49.177   17.518   62.323   9.9033 -13.14591 20.12312 
1 1 1  -17   15   54 o   98.472   6.1797   67.593   8.0060   64.727   12.812   69.428   10.255   96.489   9.7983  100.455   7.5331 -3.965706 12.35941 
1 1 1  -17   15   55 o   68.208   10.106   38.952   7.9311   24.045   16.112   43.720   9.1115   56.912   18.358   79.505   8.4569 -22.59299 20.21211 
1 1 1  -17   15   56 o  112.531   7.9488   99.563   10.073   68.634   18.948  111.748   11.893   97.575   14.330  127.486   6.8842 -29.91110 15.89760 
1 1 1  -17   15   57 o   59.004   8.6765   26.680   6.6027   19.696   10.705   30.968   8.3884   51.354   14.659   66.654   9.2869 -15.29998 17.35291 
1 1 1  -17   15   58 o   63.180   9.5340   31.742   8.3025   45.869   11.152   14.173   12.436   80.796   10.185   45.563   16.120 35.23351 19.06797 
1 1 1  -17   15   59 o   66.930   9.5564   33.109   8.2678   31.507   10.769   35.410   12.903   65.288   12.629   68.572   14.346 -3.283775 19.11270 
1 1 1  -17   15   60 o  124.754   5.4995  109.693   9.1477   92.849   13.415  124.334   12.507  115.337   8.5828  134.170   6.8787 -18.83326 10.99909 
1 1 1  -17   15   61 o  102.480   6.0844   74.299   8.3390   66.180   12.361   81.080   11.297   96.969   9.4069  107.992   7.7194 -11.02213 12.16878 
1 1 1  -17   15   62 o   63.199   8.3476   30.631   6.7899   20.898   10.084   38.703   9.1837   52.256   13.971   74.141   9.1406 -21.88547 16.69520 
1 1 1  -17   15   63 o   55.421   8.8697   23.631   6.5332   18.833   9.6523   27.687   8.8753   49.566   13.840   61.276   11.097 -11.71008 17.73941 
1 1 1  -17   15   64 o   96.652   6.1675   64.996   8.0228   75.880   12.139   56.555   10.690  103.780   8.6318   89.524   8.8117 14.25665 12.33508 
1 1 1  -17   15   65 o  107.758   5.8643   81.561   8.5312   83.830   12.693   79.692   11.522  108.972   8.5953  106.545   7.9800 2.427246 11.72863 
1 1 1  -17   15   66 o   92.158   7.7975   58.708   8.9414   69.734   16.793   54.345   10.563   96.812   12.800   87.504   8.9082 9.307953 15.59504 
1 1 1  -17   15   67 o   73.395   9.8380   46.609   8.4753   29.673   15.320   54.078   10.174   59.461   17.699   87.329   8.5969 -27.86814 19.67610 
1 1 1  -17   15   68 o   84.892   9.1469   54.176   10.375   54.399   16.008   54.014   13.624   84.312   14.011   85.472   11.763 -1.159737 18.29382 
1 1 1  -17   15   69 o   51.888   11.294   21.021   8.8282   29.596   13.639   14.838   11.581   59.673   16.373   44.104   15.561 15.56862 22.58798 
1 1 1  -17   15   70 o   62.870   11.064   32.134   9.2931   35.145   14.415   29.993   12.156   64.900   16.388   60.841   14.870 4.058582 22.12842 
1 1 1  -17   15   71 o   36.423   15.250   5.6767   12.635   5.6767   12.635   0.0000   0.0000   36.423   15.250  ?   ?       ?      ? 
1 1 1  -17   15   72 o   50.707   17.057   21.705   13.859   21.705   13.859   0.0000   0.0000   50.707   17.057  ?   ?       ?      ? 
1 1 1  -17   15   73 o   34.319   14.810   3.0986   12.559   3.0986   12.559   0.0000   0.0000   34.319   14.810  ?   ?       ?      ? 
1 1 1  -17   15   74 o   37.265   15.422   7.3142   12.711   7.3142   12.711   0.0000   0.0000   37.265   15.422  ?   ?       ?      ? 
1 1 1  -17   16    1 o  108.261   7.7562   77.134   9.5407   74.626   10.780   86.204   20.498  104.668   7.5998  111.855   13.523 -7.186493 15.51249 
1 1 1  -17   16    2 o  128.676   7.0907  106.589   10.577  100.913   12.004  126.297   22.369  121.743   7.2762  135.609   12.172 -13.86575 14.18133 
1 1 1  -17   16    3 f  157.550   5.0205  167.946   10.681  157.314   14.382  181.020   15.949  152.035   6.9807  163.064   7.2174 -11.02867 10.04095 
1 1 1  -17   16    4 o  129.837   5.2390  115.514   9.1582  124.345   12.598  105.615   13.337  135.178   6.8770  124.497   7.9055 10.68179 10.47809 
1 1 1  -17   16    5 o  157.280   7.3290  168.425   15.621   0.0000   0.0000  168.425   15.621  ?   ?   157.280   7.3290      ?      ? 
1 1 1  -17   16    6 o  192.963   4.9245  252.114   12.844  234.184   17.440  273.365   18.987  185.507   6.9377  200.419   6.9909 -14.91220 9.849066 
1 1 1  -17   16    7 o  191.773   6.7972  250.225   17.664  250.225   17.664   0.0000   0.0000  191.773   6.7972  ?   ?       ?      ? 
1 1 1  -17   16    8 f  200.529   4.9491  272.174   13.412  250.723   18.210  297.609   19.829  191.940   7.0009  209.118   6.9972 -17.17847 9.898142 
1 1 1  -17   16    9 o  203.528   5.7730  286.028   15.208  295.468   19.067  269.519   25.215  208.396   6.7516  198.659   9.3662 9.736664 11.54597 
1 1 1  -17   16   10 o  189.074   5.9568  249.636   14.834  276.300   19.524  213.232   22.814  201.472   7.1512  176.677   9.5287 24.79543 11.91366 
1 1 1  -17   16   11 o  196.712   5.4141  267.789   13.006  273.576   15.454  253.740   24.078  200.646   5.6837  192.779   9.2166 7.866974 10.82821 
1 1 1  -17   16   12 o  153.007   5.4790  161.864   10.327  165.361   12.344  153.707   18.852  155.981   5.8397  150.033   9.2723 5.947845 10.95801 
1 1 1  -17   16   13 o  134.449   5.5524  120.664   9.3039  116.968   11.073  129.537   17.159  131.158   6.2300  137.740   9.1926 -6.582306 11.10482 
1 1 1  -17   16   14 f  160.001   5.4014  174.274   10.707  174.117   12.774  174.646   19.629  160.051   5.8896  159.950   9.0560 0.1004791 10.80271 
1 1 1  -17   16   15 o  106.993   6.9545   80.439   9.7742   98.638   13.467   60.179   14.209  120.279   8.2621   93.706   11.189 26.57326 13.90906 
1 1 1  -17   16   16 o  106.042   6.7304   76.566   9.6321   74.089   12.963   79.619   14.393  104.164   9.1831  107.920   9.8419 -3.755760 13.46077 
1 1 1  -17   16   17 o  149.900   5.4582  149.730   10.273  144.447   12.286  162.005   18.727  145.747   6.2206  154.053   8.9707 -8.306152 10.91646 
1 1 1  -17   16   18 o  124.131   5.8539  107.024   9.0990  110.415   11.042   99.851   16.060  127.411   6.3954  120.851   9.8066 6.560051 11.70774 
1 1 1  -17   16   19 o  180.294   5.3671  216.688   12.066  209.645   14.360  233.601   22.254  175.598   6.0347  184.990   8.8771 -9.391693 10.73411 
1 1 1  -17   16   20 o  179.339   5.6130  224.331   12.509  232.690   15.113  206.149   22.289  184.995   6.0286  173.684   9.4698 11.31099 11.22597 
1 1 1  -17   16   21 o   97.766   9.6700   65.350   12.811   65.350   12.811   0.0000   0.0000   97.766   9.6700  ?   ?       ?      ? 
1 1 1  -17   16   22 o  134.535   6.7649  123.188   12.333  123.188   12.333   0.0000   0.0000  134.535   6.7649  ?   ?       ?      ? 
1 1 1  -17   16   23 o  170.450   6.1215  197.589   14.140  197.589   14.140   0.0000   0.0000  170.450   6.1215  ?   ?       ?      ? 
1 1 1  -17   16   24 o  175.841   5.4521  208.414   12.045  204.593   14.468  217.041   21.741  173.436   6.1559  178.247   9.0005 -4.811279 10.90430 
1 1 1  -17   16   25 o  168.419   6.7459  193.988   15.336  194.042   22.709  193.943   20.795  168.371   9.9528  168.467   9.1087 -0.9523010E-01 13.49175 
1 1 1  -17   16   26 o   89.679   6.7742   51.771   7.9855   40.807   9.9742   71.348   13.328   77.238   9.5294  102.120   9.6307 -24.88189 13.54841 
1 1 1  -17   16   27 o   78.895   7.9914   45.755   7.7291   51.913   9.7850   35.540   12.603   87.211   8.2796   70.579   13.671 16.63188 15.98287 
1 1 1  -17   16   28 o  162.731   5.4863  174.065   11.338  162.896   13.619  199.279   20.463  154.695   6.4966  170.766   8.8426 -16.07095 10.97257 
1 1 1  -17   16   29 o  124.246   5.9910  106.111   9.5062  107.494   11.682  103.400   16.354  125.623   6.8625  122.869   9.8222 2.753929 11.98203 
1 1 1  -17   16   30 o  106.413   6.3388   78.482   8.6585   80.871   10.749   74.066   14.612  108.917   7.2826  103.908   10.377 5.008781 12.67767 
1 1 1  -17   16   31 o   62.244   9.0020   26.940   7.1868   24.218   9.1215   31.395   11.670   58.268   11.953   66.220   13.464 -7.952042 18.00394 
1 1 1  -17   16   32 o   82.666   7.5091   48.819   7.9287   53.715   10.014   40.592   12.980   88.661   8.3346   76.671   12.493 11.98982 15.01820 
1 1 1  -17   16   33 o  146.743   5.8077  149.101   10.852  153.111   13.349  141.287   18.635  149.914   6.5710  143.571   9.5780 6.343170 11.61539 
1 1 1  -17   16   34 o   89.190   7.7088   54.517   9.2859   48.630   12.732   61.207   13.573   84.032   11.180   94.348   10.616 -10.31665 15.41760 
1 1 1  -17   16   35 o  153.744   5.6726  159.314   11.184  154.786   13.665  168.505   19.467  150.684   6.6920  156.804   9.1613 -6.120087 11.34515 
1 1 1  -17   16   36 o  105.522   6.4726   75.950   8.9185   74.885   11.171   77.823   14.810  104.668   7.8760  106.376   10.274 -1.707977 12.94515 
1 1 1  -17   16   37 o  101.275   6.9346   69.918   9.4616   65.516   12.583   75.644   14.352   97.681   9.5059  104.870   10.099 -7.189583 13.86923 
1 1 1  -17   16   38 o  125.853   6.4831  108.954   10.926  110.341   14.445  107.099   16.705  126.921   8.3983  124.784   9.8788 2.137383 12.96619 
1 1 1  -17   16   39 o  135.692   6.2424  123.907   11.336  111.769   14.686  141.799   17.830  127.693   8.4869  143.691   9.1566 -15.99876 12.48484 
1 1 1  -17   16   40 o  114.797   8.8391   90.476   13.751   90.476   13.751   0.0000   0.0000  114.797   8.8391  ?   ?       ?      ? 
1 1 1  -17   16   41 o  249.496   6.2625  424.720   21.174  424.720   21.174   0.0000   0.0000  249.496   6.2625  ?   ?       ?      ? 
1 1 1  -17   16   42 o  206.831   5.6602  289.731   14.626  284.159   17.492  302.682   26.669  204.025   6.3265  209.636   9.3875 -5.610458 11.32034 
1 1 1  -17   16   43 o  108.377   6.4690   80.275   9.1538   78.613   11.449   83.221   15.241  107.059   7.8913  109.696   10.253 -2.636948 12.93801 
1 1 1  -17   16   44 o   90.935   7.1940   58.204   8.5474   61.374   10.928   53.208   13.719   94.462   8.5366   87.407   11.582 7.054161 14.38810 
1 1 1  -17   16   45 o  121.560   6.3004  104.695   9.7826  111.392   12.212   92.701   16.343  127.523   7.0668  115.597   10.433 11.92529 12.60074 
1 1 1  -17   16   46 o  130.287   5.8478  111.342   9.8980   98.956   12.111  136.258   17.177  120.082   7.4424  140.492   9.0221 -20.40987 11.69565 
1 1 1  -17   16   47 o  123.408   6.0509  104.460   9.7222  102.959   12.133  107.154   16.251  122.470   7.3106  124.346   9.6441 -1.875954 12.10181 
1 1 1  -17   16   48 f  156.353   5.7990  172.622   11.583  182.083   14.420  155.418   19.445  163.030   6.5272  149.676   9.5870 13.35469 11.59801 
1 1 1  -17   16   49 o  125.562   6.7018  110.014   11.342  118.932   15.736  100.370   16.363  131.077   8.8589  120.048   10.059 11.02953 13.40356 
1 1 1  -17   16   50 o   49.359   11.840   17.816   9.2666   6.5346   19.200   21.241   10.581   45.255   18.860   53.463   14.318 -8.208351 23.67924 
1 1 1  -17   16   51 f   55.512   11.184   21.839   7.3824   23.786   17.611   21.424   8.1313   56.821   19.227   54.203   11.430 2.617878 22.36806 
1 1 1  -17   16   52 o   71.209   7.9147   37.144   7.0315   33.206   11.623   39.417   8.8306   67.072   13.258   75.346   8.6487 -8.273529 15.82949 
1 1 1  -17   16   53 o  104.412   9.2494   76.090   13.087   76.090   13.087   0.0000   0.0000  104.412   9.2494  ?   ?       ?      ? 
1 1 1  -17   16   54 o   55.277   9.0786   21.520   6.4418   27.827   11.004   18.232   7.9454   60.926   13.665   49.627   11.956 11.29961 18.15719 
1 1 1  -17   16   55 o   50.425   9.3957   18.651   6.3686   21.265   10.350   17.058   8.0792   52.997   14.147   47.853   12.369 5.144260 18.79146 
1 1 1  -17   16   56 o   31.138   9.3458   1.1319   6.9933   4.4782   9.2658  -3.2972   10.660   33.148   13.375   29.129   13.057 4.018646 18.69163 
1 1 1  -17   16   57 o   62.353   8.3110   29.719   6.6448   22.123   10.215   35.291   8.7491   53.849   13.902   70.857   9.1116 -17.00797 16.62207 
1 1 1  -17   16   58 o   74.662   7.7731   42.894   7.1244   27.965   10.686   54.839   9.5588   60.696   13.354   88.628   7.9588 -27.93231 15.54613 
1 1 1  -17   16   59 o   67.264   7.9760   34.320   6.8070   26.545   10.376   40.193   9.0191   58.989   13.298   75.540   8.8106 -16.55073 15.95197 
1 1 1  -17   16   60 o   57.706   8.5589   23.674   6.6499   37.009   10.391   14.425   8.6540   71.723   10.691   43.690   13.369 28.03319 17.11789 
1 1 1  -17   16   61 o   79.441   6.7534   44.730   7.2184   47.108   10.984   42.921   9.5772   81.103   9.9936   77.779   9.0864 3.323647 13.50683 
1 1 1  -17   16   62 o   38.621   9.5353   10.197   6.1934   13.793   9.2485   7.2737   8.3394   42.740   13.919   34.502   13.037 8.237652 19.07052 
1 1 1  -17   16   63 o   55.493   9.1084   23.783   6.7024   24.043   9.8779   23.561   9.1242   55.582   13.293   55.404   12.455 0.1784973 18.21686 
1 1 1  -17   16   64 o   35.222   10.078   6.1020   6.8932   6.3857   13.073   5.9927   8.1127   37.713   15.627   32.730   12.731 4.983536 20.15662 
1 1 1  -17   16   65 o   34.469   9.9358   4.7218   7.7712  -4.8696   12.844   10.261   9.7607   30.406   13.907   38.532   14.194 -8.126001 19.87151 
1 1 1  -17   16   66 o   28.924   9.2567  -3.0535   7.7268  -6.7768   12.436  -0.7123   9.8612   28.880   13.379   28.968   12.796 -0.8833504E-01 18.51333 
1 1 1  -17   16   67 o   44.974   10.341   10.574   8.3355   31.019   13.474  -2.1036   10.609   60.960   16.079   28.988   13.008 31.97224 20.68172 
1 1 1  -17   16   68 o   40.347   10.272   10.676   8.2525  -2.6242   12.952   19.767   10.708   31.455   14.220   49.239   14.828 -17.78422 20.54491 
1 1 1  -17   16   69 o   29.196   13.403  -4.8002   12.082  -4.8002   12.082   0.0000   0.0000   29.196   13.403  ?   ?       ?      ? 
1 1 1  -17   16   70 o   49.150   16.944   20.464   13.688   20.464   13.688   0.0000   0.0000   49.150   16.944  ?   ?       ?      ? 
1 1 1  -17   16   71 o   29.284   13.410  -4.0205   11.988  -4.0205   11.988   0.0000   0.0000   29.284   13.410  ?   ?       ?      ? 
1 1 1  -17   17    1 o  157.865   5.6659  165.570   11.947  199.976   18.927  142.779   15.404  171.107   8.1626  144.623   7.8600 26.48442 11.33172 
1 1 1  -17   17    2 o  136.946   6.0144  129.263   11.014  120.503   16.658  136.068   14.681  132.678   9.2648  141.213   7.6719 -8.534760 12.02889 
1 1 1  -17   17    3 o   75.405   7.8483   38.775   7.9869   43.565   11.907   34.858   10.769   79.610   11.037   71.200   11.161 8.409599 15.69666 
1 1 1  -17   17    4 o  133.747   6.1176  123.702   10.886  113.766   16.678  131.076   14.368  128.885   9.5491  138.609   7.6496 -9.723434 12.23526 
1 1 1  -17   17    5 o  216.506   5.8481  323.670   16.719  303.475   26.360  337.261   21.626  210.581   9.2373  222.432   7.1745 -11.85133 11.69625 
1 1 1  -17   17    6 o  145.432   6.0467  147.001   11.659  130.215   17.819  159.568   15.418  137.897   9.5356  152.966   7.4379 -15.06895 12.09338 
1 1 1  -17   17    7 o  129.279   6.0775  113.206   10.517  120.522   16.397  108.093   13.709  132.727   9.1166  125.832   8.0394 6.895279 12.15503 
1 1 1  -17   17    8 o  149.563   5.8445  151.126   11.650  161.630   18.462  144.174   15.018  153.747   8.8611  145.379   7.6232 8.367737 11.68897 
1 1 1  -17   17    9 o  151.253   5.9339  154.243   11.647  149.426   14.412  163.311   19.773  148.059   7.1830  154.448   9.4472 -6.389664 11.86781 
1 1 1  -17   17   10 o  136.529   6.0708  128.281   10.684  130.377   13.272  124.420   18.010  138.311   7.0808  134.746   9.8631 3.565002 12.14164 
1 1 1  -17   17   11 f  145.978   7.1033  146.923   13.967  135.260   20.342  157.325   19.211  140.352   10.695  151.604   9.3509 -11.25179 14.20659 
1 1 1  -17   17   12 o  219.443   5.9913  328.022   17.383  324.463   22.212  333.648   27.923  218.107   7.5150  220.778   9.3331 -2.671249 11.98257 
1 1 1  -17   17   13 o  133.861   5.7473  120.134   9.5673  116.888   11.378  127.970   17.677  131.026   6.4079  136.695   9.5427 -5.669266 11.49453 
1 1 1  -17   17   14 o   80.582   7.0202   42.192   7.2442   37.930   8.7257   51.642   12.995   74.490   8.6442   86.674   11.064 -12.18421 14.04031 
1 1 1  -17   17   15 o  143.746   5.6056  137.756   10.099  132.657   12.057  149.745   18.486  139.583   6.3740  147.910   9.2230 -8.326523 11.21121 
1 1 1  -17   17   16 o  154.414   5.4337  156.871   10.524  148.027   12.523  178.128   19.415  147.456   6.2670  161.372   8.8783 -13.91562 10.86739 
1 1 1  -17   17   17 o   94.729   7.3690   65.980   8.7933   81.057   11.498   44.735   13.649  108.972   7.7859   80.487   12.514 28.48524 14.73799 
1 1 1  -17   17   18 o  110.774   8.1486   83.827   12.232   83.827   12.232   0.0000   0.0000  110.774   8.1486  ?   ?       ?      ? 
1 1 1  -17   17   19 o  159.519   7.2103  173.542   15.587  173.542   15.587   0.0000   0.0000  159.519   7.2103  ?   ?       ?      ? 
1 1 1  -17   17   20 o   92.832   8.2987   58.694   10.376   67.272   15.705   52.050   13.822   98.778   11.733   86.886   11.739 11.89247 16.59733 
1 1 1  -17   17   21 o   83.999   7.5544   48.637   8.5288   49.528   11.420   47.512   12.824   84.956   9.9198   83.041   11.396 1.914978 15.10877 
1 1 1  -17   17   22 o  108.781   6.5585   77.664   9.4611   63.261   12.018  101.136   15.342   96.086   9.2300  121.477   9.3200 -25.39179 13.11697 
1 1 1  -17   17   23 o   78.729   8.5257   45.680   8.3893   54.707   11.061   33.452   12.873   89.354   9.1346   68.105   14.398 21.24905 17.05147 
1 1 1  -17   17   24 o   63.451   9.5055   28.791   7.8471   27.827   10.325   30.108   12.074   62.329   12.656   64.573   14.186 -2.244366 19.01108 
1 1 1  -17   17   25 o   67.538   9.2842   32.427   8.0966   31.182   10.572   34.194   12.592   66.146   12.245   68.930   13.959 -2.783943 18.56844 
1 1 1  -17   17   26 f  105.090   7.0039   77.901   9.6747   87.166   12.758   65.364   14.841  112.853   8.3423   97.327   11.253 15.52596 14.00771 
1 1 1  -17   17   27 o  159.747   6.0994  172.865   12.886  166.211   16.375  183.685   20.882  155.925   7.7498  163.570   9.4209 -7.645126 12.19887 
1 1 1  -17   17   28 o   93.223   13.464   60.523   17.009   60.523   17.009   0.0000   0.0000   93.223   13.464  ?   ?       ?      ? 
1 1 1  -17   17   29 o  103.374   7.7888   73.101   10.911   73.101   10.911   0.0000   0.0000  103.374   7.7888  ?   ?       ?      ? 
1 1 1  -17   17   30 o   84.876   8.0274   49.893   9.2116   50.741   12.672   48.942   13.414   85.708   10.911   84.043   11.778 1.664757 16.05480 
1 1 1  -17   17   31 o  128.690   6.4537  112.699   11.155  106.124   14.662  121.733   17.187  124.358   8.7002  133.021   9.5347 -8.663040 12.90749 
1 1 1  -17   17   32 o  126.072   5.9564  107.731   9.6326  105.085   11.784  113.058   16.723  124.004   7.0124  128.140   9.6302 -4.135635 11.91281 
1 1 1  -17   17   33 o   79.991   7.5701   44.019   7.8982   43.390   9.8817   45.130   13.143   79.420   9.1816   80.562   12.038 -1.142418 15.14022 
1 1 1  -17   17   34 f   75.559   8.0538   40.516   7.7244   41.592   9.7694   38.722   12.617   77.722   9.2756   73.396   13.169 4.325661 16.10751 
1 1 1  -17   17   35 o   63.042   9.2309   28.757   7.5814   30.293   9.7386   26.395   12.079   66.104   10.871   59.980   14.921 6.124020 18.46173 
1 1 1  -17   17   36 o  116.535   6.6639   99.459   9.6854  112.215   12.097   76.682   16.165  128.059   6.9710  105.011   11.359 23.04810 13.32777 
1 1 1  -17   17   37 o  122.177   7.2928  102.284   12.074  102.284   12.074   0.0000   0.0000  122.177   7.2928  ?   ?       ?      ? 
1 1 1  -17   17   38 o   96.611   6.9809   63.496   8.7366   60.940   10.773   68.406   14.931   94.094   8.4490   99.129   11.115 -5.034546 13.96189 
1 1 1  -17   17   39 o   89.685   7.3861   57.544   8.4757   61.726   10.635   50.264   14.032   94.695   8.2877   84.674   12.228 10.02100 14.77229 
1 1 1  -17   17   40 f  115.543   6.3332   93.547   9.4703   97.064   11.897   87.466   15.645  118.903   7.3838  112.182   10.292 6.720779 12.66631 
1 1 1  -17   17   41 o  172.081   5.5042  181.831   11.971  146.938   14.144  269.972   22.480  146.317   7.1333  197.846   8.3845 -51.52933 11.00835 
1 1 1  -17   17   42 o   86.796   12.832   53.294   15.094   53.294   15.094   0.0000   0.0000   86.796   12.832  ?   ?       ?      ? 
1 1 1  -17   17   43 o   93.512   7.6685   61.163   9.6538   52.344   13.382   70.733   13.941   86.319   11.440  100.705   10.215 -14.38612 15.33691 
1 1 1  -17   17   44 o  152.739   6.3433  160.407   13.036  150.497   17.246  173.617   19.912  147.416   8.6330  158.063   9.2963 -10.64662 12.68663 
1 1 1  -17   17   45 o  154.220   6.3662  164.930   13.211  162.736   17.621  167.748   19.964  153.263   8.4843  155.176   9.4937 -1.912979 12.73238 
1 1 1  -17   17   46 o   88.200   7.1831   54.561   8.2958   54.755   10.489   54.236   13.557   88.792   8.7168   87.608   11.420 1.184021 14.36623 
1 1 1  -17   17   47 o   43.802   10.548   13.357   7.4914   13.491   10.833   13.234   10.371   44.061   15.079   43.543   14.755 0.5177116 21.09671 
1 1 1  -17   17   48 o   43.436   9.8165   11.463   7.5957  -0.5878   10.784   23.329   10.701   31.237   13.601   55.634   14.158 -24.39735 19.63299 
1 1 1  -17   17   49 o   58.123   8.9435   23.213   7.0092   15.005   8.9637   36.129   11.245   45.072   13.566   71.174   11.658 -26.10234 17.88710 
1 1 1  -17   17   50 o   80.806   7.2070   45.004   7.7071   41.245   9.7407   51.297   12.603   76.656   9.3768   84.956   10.947 -8.299660 14.41399 
1 1 1  -17   17   51 o   85.413   7.2473   52.476   8.0087   54.723   10.091   48.652   13.165   88.528   8.4111   82.299   11.805 6.228493 14.49462 
1 1 1  -17   17   52 o   29.979   8.9804   1.5239   6.2503   1.4289   8.2217   1.6541   9.6208   28.897   12.211   31.060   13.171 -2.162853 17.96074 
1 1 1  -17   17   53 o   31.712   12.692   4.4126   8.2714   4.4126   8.2714   0.0000   0.0000   31.712   12.692  ?   ?       ?      ? 
1 1 1  -17   17   54 o   34.662   8.5165   4.1081   6.5437   16.264   8.4040 -14.6116   10.429   46.302   12.909   23.021   11.112 23.28100 17.03294 
1 1 1  -17   17   55 f   32.722   9.1368   4.0674   6.1086  -0.0283   8.0281   9.6995   9.4141   27.200   11.789   38.244   13.962 -11.04394 18.27364 
1 1 1  -17   17   56 o   54.740   8.9836   22.048   6.4877   28.969   10.269   17.450   8.3698   61.727   12.700   47.752   12.710 13.97514 17.96727 
1 1 1  -17   17   57 o   58.470   8.6959   25.232   6.6289   32.515   10.322   20.121   8.6477   65.719   12.034   51.220   12.556 14.49823 17.39177 
1 1 1  -17   17   58 o   42.092   9.2541   13.572   6.2825   6.2714   9.7485   18.758   8.2163   34.742   13.821   49.441   12.311 -14.69874 18.50825 
1 1 1  -17   17   59 o   27.678   8.5015   0.0818   5.8208   1.3789   9.1851  -0.7887   7.5246   29.771   12.754   25.585   11.245 4.186817 17.00298 
1 1 1  -17   17   60 o   60.295   9.8295   29.253   7.8239   32.173   10.222   25.123   12.158   65.053   12.039   55.537   15.542 9.515507 19.65896 
1 1 1  -17   17   61 o   40.960   10.487   10.932   8.4696  -1.6690   13.261   19.614   11.007   32.570   14.584   49.351   15.073 -16.78097 20.97363 
1 1 1  -17   17   62 o   39.085   10.627   6.5962   8.3824   19.308   13.245  -1.8980   10.827   48.722   16.673   29.448   13.183 19.27401 21.25497 
1 1 1  -17   17   63 o   34.238   10.054   4.5048   7.9100  -1.9444   12.591   8.7096   10.167   31.485   14.147   36.991   14.290 -5.505106 20.10813 
1 1 1  -17   17   64 f   44.173   10.992   13.214   8.5420   24.309   13.274   5.3732   11.159   53.558   16.585   34.788   14.428 18.77013 21.98306 
1 1 1  -17   17   65 o   50.496   11.488   21.363   8.8705   21.963   13.556   20.914   11.731   50.862   16.865   50.130   15.602 0.7318115 22.97518 
1 1 1  -17   17   66 o   32.045   14.287  -0.4676   12.580  -0.4676   12.580   0.0000   0.0000   32.045   14.287  ?   ?       ?      ? 
1 1 1  -17   17   67 o   43.436   16.493   14.591   13.389   14.591   13.389   0.0000   0.0000   43.436   16.493  ?   ?       ?      ? 
1 1 1  -17   18    1 f  176.000   5.0713  210.015   12.024  196.452   15.982  227.702   18.251  169.554   6.9556  182.445   7.3819 -12.89102 10.14268 
1 1 1  -17   18    2 o  144.155   5.2588  141.056   10.223  131.479   13.656  153.266   15.419  138.663   7.2672  149.648   7.6032 -10.98415 10.51763 
1 1 1  -17   18    3 o  105.881   5.9066   78.420   8.2985   88.696   11.191   65.870   12.369  113.897   7.2509   97.865   9.3262 16.03144 11.81326 
1 1 1  -17   18    4 o   88.885   6.4131   54.906   7.5918   58.302   10.055   50.403   11.578   92.250   8.0432   85.519   9.9908 6.731064 12.82612 
1 1 1  -17   18    5 o   46.806   9.5834   14.941   6.4448   11.115   8.4010   20.413   10.047   40.556   13.268   53.056   13.832 -12.49988 19.16683 
1 1 1  -17   18    6 o   48.922   10.829   17.390   8.1063   9.6483   14.231   21.108   9.8627   43.891   16.921   53.953   13.518 -10.06167 21.65712 
1 1 1  -17   18    7 o   60.986   10.919   24.631   8.4786   35.252   15.632   20.204   10.092   69.174   16.835   52.797   13.911 16.37687 21.83880 
1 1 1  -17   18    8 o   68.066   8.1244   31.985   7.0964   20.870   9.3909   46.780   10.835   53.693   13.037   82.438   9.6986 -28.74500 16.24889 
1 1 1  -17   18    9 o   72.642   8.0944   36.393   6.8712   35.569   8.0159   38.674   13.342   72.044   8.2105   73.240   13.952 -1.195686 16.18883 
1 1 1  -17   18   10 o   54.973   9.0937   17.693   6.2762   11.529   7.3277   34.667   12.160   40.555   12.279   69.391   13.417 -28.83567 18.18740 
1 1 1  -17   18   11 o   70.914   8.2888   34.830   6.9340   34.087   8.1332   36.808   13.268   70.496   8.5137   71.332   14.224 -0.8359680 16.57756 
1 1 1  -17   18   12 o   47.635   9.7044   13.923   6.2113   10.146   7.3449   23.405   11.638   38.588   12.389   56.682   14.940 -18.09420 19.40874 
1 1 1  -17   18   13 o   99.868   6.4465   67.114   7.9229   65.201   9.3510   71.982   14.916   97.679   7.0644  102.058   10.785 -4.379150 12.89293 
1 1 1  -17   18   14 o  100.211   7.1688   68.647   9.7352   68.647   9.7352   0.0000   0.0000  100.211   7.1688  ?   ?       ?      ? 
1 1 1  -17   18   15 o  148.530   9.6443  151.903   19.412  151.903   19.412   0.0000   0.0000  148.530   9.6443  ?   ?       ?      ? 
1 1 1  -17   18   16 o  172.704   5.6981  202.586   12.012  200.236   14.153  208.637   22.713  171.348   6.0952  174.061   9.6293 -2.713318 11.39625 
1 1 1  -17   18   17 o   83.971   7.4742   49.739   7.7588   51.343   9.3345   46.156   13.955   86.562   7.9576   81.381   12.654 5.180809 14.94832 
1 1 1  -17   18   18 o  128.835   6.1092  116.612   9.6844  120.597   11.614  107.515   17.546  132.912   6.4479  124.759   10.379 8.153580 12.21838 
1 1 1  -17   18   19 o  175.063   5.5491  205.051   11.978  198.372   14.142  222.008   22.534  170.521   6.1198  179.605   9.2585 -9.084641 11.09827 
1 1 1  -17   18   20 o  143.453   5.5956  129.828   10.084  113.405   11.893  171.832   19.020  128.815   6.8132  158.090   8.8783 -29.27518 11.19122 
1 1 1  -17   18   21 o   73.837   7.8079   34.857   7.3080   26.836   8.8824   51.664   12.857   61.337   11.095   86.337   10.989 -24.99963 15.61579 
1 1 1  -17   18   22 o   78.190   7.6233   41.230   7.7654   38.487   9.5966   46.433   13.216   74.719   9.4777   81.662   11.943 -6.942368 15.24662 
1 1 1  -17   18   23 o  147.722   5.6847  147.374   10.612  143.318   12.788  156.344   19.017  144.829   6.5158  150.614   9.3172 -5.784302 11.36950 
1 1 1  -17   18   24 o  114.036   6.4735   92.033   9.2403   96.471   11.273   82.945   16.132  118.734   7.0061  109.337   10.888 9.396614 12.94703 
1 1 1  -17   18   25 o   90.196   7.2253   57.219   8.2787   59.086   10.186   53.586   14.209   92.754   8.1039   87.639   11.964 5.114632 14.45050 
1 1 1  -17   18   26 o   62.658   8.8867   25.906   7.2919   17.610   9.1467   40.372   12.079   49.226   13.367   76.089   11.714 -26.86235 17.77348 
1 1 1  -17   18   27 o   72.238   9.0820   36.607   8.6428   30.962   11.498   43.938   13.104   65.226   13.455   79.249   12.202 -14.02296 18.16402 
1 1 1  -17   18   28 o   70.433   8.0135   33.098   7.4040   29.066   9.1800   40.603   12.524   64.704   10.469   76.161   12.135 -11.45659 16.02704 
1 1 1  -17   18   29 o   46.349   10.085   15.197   6.7816   15.007   8.4933   15.531   11.264   45.581   13.072   47.117   15.361 -1.535530 20.17059 
1 1 1  -17   18   30 o   40.515   9.9493   10.821   6.6487   12.555   8.2990   7.7124   11.110   42.174   13.123   38.855   14.958 3.318893 19.89862 
1 1 1  -17   18   31 o   80.661   8.8043   48.389   8.9387   59.507   12.051   34.791   13.328   92.667   9.5967   68.655   14.764 24.01231 17.60863 
1 1 1  -17   18   32 o   76.858   8.5582   41.554   8.8693   41.860   11.996   41.185   13.173   77.316   11.450   76.400   12.723 0.9161530 17.11641 
1 1 1  -17   18   33 o   61.171   14.403   27.727   11.742   27.727   11.742   0.0000   0.0000   61.171   14.403  ?   ?       ?      ? 
1 1 1  -17   18   34 o   25.451   12.006 -11.1966   10.792 -11.1966   10.792   0.0000   0.0000   25.451   12.006  ?   ?       ?      ? 
1 1 1  -17   18   35 o   74.574   18.420   42.791   18.505   42.791   18.505   0.0000   0.0000   74.574   18.420  ?   ?       ?      ? 
1 1 1  -17   18   36 o   27.248   12.060  -2.2239   8.8003  -2.2239   8.8003   0.0000   0.0000   27.248   12.060  ?   ?       ?      ? 
1 1 1  -17   18   37 o   63.085   9.0689   28.200   7.3052   24.826   9.1840   34.013   12.054   58.273   12.029   67.897   13.575 -9.624718 18.13774 
1 1 1  -17   18   38 o   36.602   9.2641   7.0851   6.6400   14.319   8.5815  -3.7065   10.482   44.335   13.257   28.868   12.944 15.46747 18.52823 
1 1 1  -17   18   39 o   75.689   7.6712   38.370   7.6450   32.281   9.5305   49.358   12.803   67.807   10.372   83.572   11.305 -15.76467 15.34232 
1 1 1  -17   18   40 o   58.621   9.3263   25.053   7.1105   22.865   9.1241   28.437   11.347   55.609   12.421   61.632   13.915 -6.023697 18.65262 
1 1 1  -17   18   41 o   82.625   7.3678   48.550   7.8589   49.697   9.8167   46.502   13.114   84.510   8.5719   80.741   11.986 3.768562 14.73564 
1 1 1  -17   18   42 o  106.108   6.3602   73.414   8.7548   61.634   10.659   97.835   15.347   94.121   8.3571  118.095   9.5898 -23.97473 12.72032 
1 1 1  -17   18   43 o   71.991   7.7678   35.204   7.3170   31.012   9.0396   43.170   12.461   66.319   10.058   77.663   11.840 -11.34392 15.53555 
1 1 1  -17   18   44 o   31.020   9.2727   0.6449   6.8993  -4.0222   9.6113   5.6064   9.9098   27.096   12.250   34.944   13.924 -7.847801 18.54539 
1 1 1  -17   18   45 o   32.797   9.4686   2.3605   6.9725  -3.5229   9.6403   8.8140   10.097   27.413   12.342   38.181   14.363 -10.76786 18.93719 
1 1 1  -17   18   46 o   40.128   9.7885   11.171   6.3543   10.963   8.1284   11.498   10.190   39.251   13.062   41.005   14.583 -1.754578 19.57692 
1 1 1  -17   18   47 o   78.995   7.8270   46.755   7.6382   50.621   9.5928   40.058   12.626   85.018   8.3264   72.972   13.256 12.04567 15.65405 
1 1 1  -17   18   48 o   58.595   9.0789   26.925   7.0161   31.278   8.9851   20.123   11.231   66.278   10.004   50.912   15.153 15.36620 18.15784 
1 1 1  -17   18   49 o   47.064   9.9237   16.259   6.7029   13.253   8.5456   21.065   10.806   42.156   13.346   51.973   14.691 -9.817364 19.84741 
1 1 1  -17   18   50 o   84.560   8.6028   50.445   9.8580   50.445   9.8580   0.0000   0.0000   84.560   8.6028  ?   ?       ?      ? 
1 1 1  -17   18   51 o  115.717   6.7750   99.928   9.6362  107.781   11.743   83.743   16.860  124.381   6.9672  107.052   11.622 17.32914 13.55003 
1 1 1  -17   18   52 o   93.636   7.0563   62.508   8.3566   61.658   10.136   64.311   14.765   93.604   7.9908   93.669   11.632 -0.6453705E-01 14.11261 
1 1 1  -17   18   53 o   61.505   8.8208   24.103   7.1845   11.874   8.6990   50.341   12.742   40.098   13.513   82.912   11.341 -42.81424 17.64168 
1 1 1  -17   18   54 o   84.754   7.6714   53.793   8.2069   56.981   10.163   47.818   13.915   89.687   8.3617   79.822   12.864 9.865356 15.34281 
1 1 1  -17   18   55 o   47.798   10.616   18.335   7.7797   21.200   10.370   14.648   11.766   51.555   14.328   44.041   15.669 7.514133 21.23221 
1 1 1  -17   18   56 o   68.937   9.0686   34.988   8.1750   26.421   10.576   47.703   12.885   57.800   13.710   80.075   11.875 -22.27455 18.13729 
1 1 1  -17   18   57 o   36.826   9.9967   6.8441   7.1826   1.3531   9.3206   14.872   11.270   29.741   12.797   43.912   15.361 -14.17014 19.99341 
1 1 1  -17   18   58 o   58.032   11.495   27.613   9.4137   34.679   14.374   22.306   12.457   64.246   16.441   51.819   16.070 12.42791 22.99039 
1 1 1  -17   18   59 o   34.451   10.134   3.3781   8.3987  -6.3283   12.755   10.809   11.160   29.343   13.578   39.560   15.049 -10.21686 20.26891 
1 1 1  -17   18   60 o   32.519   9.9749   1.9072   8.1369  -0.7958   12.615   3.8330   10.648   32.025   14.291   33.013   13.920 -0.9871750 19.94978 
1 1 1  -17   18   61 o   53.180   10.238   22.714   9.3881   1.8003   13.736   41.049   12.861   34.584   15.196   71.775   13.723 -37.19051 20.47548 
1 1 1  -17   18   62 o   42.675   11.330   13.336   8.9694   18.564   13.307   8.9829   12.142   47.181   16.676   38.169   15.342 9.012127 22.66029 
1 1 1  -17   18   63 o   45.400   10.886   16.378   8.8978   4.8997   13.306   25.663   11.967   35.859   15.356   54.941   15.435 -19.08199 21.77250 
1 1 1  -17   19    1 f   64.067   10.729   29.717   8.7667   33.213   15.264   27.997   10.709   66.322   16.927   61.812   13.187 4.510334 21.45744 
1 1 1  -17   19    2 o   70.400   10.136   34.659   8.9193   42.751   15.630   30.752   10.861   75.816   15.729   64.984   12.789 10.83161 20.27228 
1 1 1  -17   19    3 o   78.105   7.4281   41.433   7.3280   27.275   9.5059   62.172   11.505   61.396   11.855   94.814   8.9541 -33.41828 14.85628 
1 1 1  -17   19    4 o   61.752   8.4591   30.603   6.7911   44.004   9.0083   12.960   10.336   79.882   8.3217   43.622   14.730 36.25928 16.91820 
1 1 1  -17   19    5 o   48.658   9.4594   16.431   6.4593   11.905   8.3688   23.100   10.159   41.285   13.221   56.031   13.532 -14.74582 18.91889 
1 1 1  -17   19    6 o   71.300   7.4963   34.869   6.9634   27.509   9.0985   45.276   10.819   61.851   11.271   80.749   9.8870 -18.89845 14.99265 
1 1 1  -17   19    7 o   54.650   9.0410   21.841   6.5066   21.859   8.4996   21.816   10.113   54.866   11.783   54.434   13.715 0.4326401 18.08205 
1 1 1  -17   19    8 o   66.861   8.9029   30.497   7.4402   26.234   9.0688   39.274   13.013   60.302   11.518   73.420   13.579 -13.11860 17.80588 
1 1 1  -17   19    9 o   80.770   8.2272   47.239   8.0660   48.981   9.8157   43.616   14.154   84.241   8.5984   77.299   14.029 6.941505 16.45446 
1 1 1  -17   19   10 o   43.308   14.882   12.556   10.555   12.556   10.555   0.0000   0.0000   43.308   14.882  ?   ?       ?      ? 
1 1 1  -17   19   11 o   60.946   9.0600   25.692   7.4827   25.692   7.4827   0.0000   0.0000   60.946   9.0600  ?   ?       ?      ? 
1 1 1  -17   19   12 o   70.598   7.8509   33.464   6.6202   31.133   7.7458   39.782   12.752   67.169   8.5097   74.027   13.196 -6.858246 15.70177 
1 1 1  -17   19   13 o   67.089   7.8971   26.931   6.4400   20.327   7.4689   46.070   12.715   53.100   10.748   81.079   11.573 -27.97860 15.79418 
1 1 1  -17   19   14 o   80.207   7.9502   48.789   7.2274   52.854   8.5675   38.759   13.459   87.734   7.2061   72.680   14.174 15.05442 15.90050 
1 1 1  -17   19   15 o   63.474   8.8850   36.040   7.0055   47.000   8.4689   12.289   12.467   82.672   7.5594   44.275   16.082 38.39718 17.77006 
1 1 1  -17   19   16 o   79.873   7.0990   39.325   7.1346   31.645   8.3939   59.317   13.543   67.597   9.1633   92.149   10.845 -24.55186 14.19806 
1 1 1  -17   19   17 o   69.244   8.9354   40.294   7.2208   49.247   8.7692   21.438   12.726   84.597   7.6493   53.891   16.151 30.70560 17.87086 
1 1 1  -17   19   18 o   61.293   8.9558   27.662   6.8543   28.833   8.3270   25.201   12.071   64.447   9.5347   58.140   15.163 6.306957 17.91169 
1 1 1  -17   19   19 o   74.164   8.6939   44.772   7.3556   52.920   8.9272   27.544   12.981   87.701   7.5115   60.627   15.682 27.07402 17.38789 
1 1 1  -17   19   20 o   50.518   9.4653   19.790   6.5939   23.079   8.0960   13.310   11.365   56.540   10.962   44.496   15.434 12.04443 18.93050 
1 1 1  -17   19   21 o   66.320   8.1141   28.750   6.8098   23.614   8.2030   40.137   12.215   57.187   10.984   75.454   11.946 -18.26702 16.22823 
1 1 1  -17   19   22 o   57.745   9.2574   25.974   6.8690   29.469   8.3153   18.465   12.189   65.118   9.4231   50.373   15.938 14.74546 18.51484 
1 1 1  -17   19   23 o   66.695   9.3551   32.701   8.2195   36.280   11.102   28.360   12.227   71.809   11.409   61.582   14.829 10.22656 18.71012 
1 1 1  -17   19   24 o   76.895   8.9225   43.549   8.8379   51.203   12.051   34.643   13.000   85.548   10.395   68.242   14.504 17.30598 17.84495 
1 1 1  -17   19   25 o   87.905   6.9026   51.359   7.8339   46.106   9.5238   62.349   13.776   81.561   8.6168   94.249   10.786 -12.68809 13.80518 
1 1 1  -17   19   26 o  116.988   6.4347   99.198   9.2911  106.198   11.301   84.596   16.321  124.312   6.7084  109.665   10.983 14.64690 12.86940 
1 1 1  -17   19   27 o   94.674   6.6323   58.633   8.0852   51.056   9.7705   75.093   14.401   85.829   8.4004  103.520   10.266 -17.69065 13.26456 
1 1 1  -17   19   28 o  110.309   6.4479   85.295   8.9789   86.352   10.928   83.100   15.754  111.927   7.2045  108.692   10.696 3.235146 12.89579 
1 1 1  -17   19   29 o  131.242   6.2674  123.912   10.145  130.641   12.271  109.381   18.032  137.840   6.5693  124.644   10.675 13.19534 12.53476 
1 1 1  -17   19   30 f  116.732   7.0631   93.953   11.173   93.953   11.173   0.0000   0.0000  116.732   7.0631  ?   ?       ?      ? 
1 1 1  -17   19   31 o   60.453   11.086   26.574   8.7470   26.574   8.7470   0.0000   0.0000   60.453   11.086  ?   ?       ?      ? 
1 1 1  -17   19   32 o   73.452   7.5776   37.175   7.3073   34.474   9.1257   42.003   12.199   70.126   9.6030   76.778   11.725 -6.652382 15.15524 
1 1 1  -17   19   33 o   70.470   7.8416   34.396   7.2562   31.958   9.0680   38.738   12.099   67.401   9.9281   73.539   12.141 -6.138557 15.68311 
1 1 1  -17   19   34 o   36.748   9.2576   4.3435   6.4383  -3.7188   8.1520   17.709   10.496   24.904   11.268   48.593   14.692 -23.68872 18.51530 
1 1 1  -17   19   35 o   82.559   7.3813   47.977   7.8842   47.281   9.7751   49.272   13.337   82.233   8.7719   82.886   11.874 -0.6528091 14.76269 
1 1 1  -17   19   36 o  119.395   6.4372  102.117   9.5878  105.832   11.640   94.278   16.908  123.702   6.9438  115.087   10.841 8.615273 12.87436 
1 1 1  -17   19   37 o   84.343   7.3851   49.055   8.0742   45.663   9.9177   55.722   13.904   80.626   9.0772   88.060   11.652 -7.434113 14.77020 
1 1 1  -17   19   38 o  122.220   6.0437   98.935   9.4036   89.068   11.267  121.589   17.072  113.250   7.3415  131.191   9.6026 -17.94081 12.08749 
1 1 1  -17   19   39 o  101.024   6.5442   69.553   8.4516   64.948   10.226   79.476   15.012   96.499   7.8201  105.549   10.495 -9.049873 13.08846 
1 1 1  -17   19   40 o   75.887   7.6564   38.394   7.5409   31.677   9.1860   52.275   13.205   66.677   10.166   85.097   11.451 -18.41934 15.31278 
1 1 1  -17   19   41 o   55.359   9.9363   22.413   8.0165   10.767   10.664   37.546   12.156   40.282   14.836   70.436   13.221 -30.15403 19.87252 
1 1 1  -17   19   42 o   52.109   14.411   21.143   10.518   21.143   10.518   0.0000   0.0000   52.109   14.411  ?   ?       ?      ? 
1 1 1  -17   19   43 o   56.138   14.208   24.594   10.818   24.594   10.818   0.0000   0.0000   56.138   14.208  ?   ?       ?      ? 
1 1 1  -17   19   44 o   35.789   9.8067   7.4597   6.7007   9.1225   8.2264   4.1814   11.551   36.632   13.094   34.946   14.602 1.685520 19.61331 
1 1 1  -17   19   45 o   37.590   9.5342   9.5178   6.5758   13.855   8.2610   2.0170   10.864   42.692   13.061   32.489   13.893 10.20368 19.06849 
1 1 1  -17   19   46 o   38.281   9.8781   9.7995   6.4616   9.1886   8.0612   10.898   10.807   36.486   12.971   40.076   14.902 -3.590073 19.75623 
1 1 1  -17   19   47 o   36.763   12.989   9.4552   8.0717   9.4552   8.0717   0.0000   0.0000   36.763   12.989  ?   ?       ?      ? 
1 1 1  -17   19   48 f   51.494   10.182   19.609   7.5897   12.088   9.8014   30.871   11.995   40.665   14.319   62.324   14.478 -21.65935 20.36318 
1 1 1  -17   19   49 o   39.594   10.343   10.791   7.2642   9.9285   9.5309   11.987   11.221   38.062   14.025   41.125   15.206 -3.063450 20.68609 
1 1 1  -17   19   50 o   31.484   9.5129   2.1356   7.1738   1.4247   9.7833   2.9624   10.551   30.442   13.105   32.526   13.793 -2.083220 19.02580 
1 1 1  -17   19   51 o   26.655   8.5760  -4.2580   6.9238  -0.2925   9.1364  -9.6079   10.612   28.261   12.406   25.049   11.844 3.212154 17.15199 
1 1 1  -17   19   52 o   47.537   10.623   17.383   7.6198   13.310   9.8327   23.506   12.056   41.754   14.363   53.319   15.657 -11.56596 21.24668 
1 1 1  -17   19   53 o   48.712   10.577   18.764   7.5996   15.532   9.9125   23.372   11.836   44.294   14.409   53.130   15.488 -8.835682 21.15440 
1 1 1  -17   19   54 o   24.323   8.0813  -8.0077   6.8450  -4.9837   9.2127 -11.7343   10.227   25.201   11.619   23.446   11.236 1.754663 16.16262 
1 1 1  -17   19   55 o   28.666   9.2678  -4.4967   8.1578 -10.8834   12.923  -0.2659   10.518   27.446   13.004   29.887   13.208 -2.441090 18.53561 
1 1 1  -17   19   56 o   39.664   11.163   9.7140   8.9242   13.955   13.824   6.6841   11.685   43.261   16.677   36.067   14.843 7.194366 22.32577 
1 1 1  -17   19   57 o   35.489   10.472   5.4914   8.5843   0.2983   12.937   9.5768   11.474   32.764   14.555   38.214   15.060 -5.450081 20.94407 
1 1 1  -17   19   58 o   48.994   16.276   20.577   12.623   0.0000   0.0000   20.577   12.623  ?   ?    48.994   16.276      ?      ? 
1 1 1  -17   19   59 o   28.939   13.188  -3.0765   11.417   0.0000   0.0000  -3.0765   11.417  ?   ?    28.939   13.188      ?      ? 
1 1 1  -17   19   60 o   29.538   13.406  -2.2597   11.645   0.0000   0.0000  -2.2597   11.645  ?   ?    29.538   13.406      ?      ? 
1 1 1  -17   20    1 o   79.386   6.7051   43.880   7.1310   42.102   9.3273   46.381   11.063   77.636   8.8657   81.136   10.062 -3.500252 13.41029 
1 1 1  -17   20    2 o   55.219   8.9632   22.096   6.4283   19.763   8.1552   25.924   10.446   51.654   11.896   58.784   13.410 -7.129742 17.92641 
1 1 1  -17   20    3 o   64.264   9.5221   33.895   7.5742   39.451   9.1317   21.645   13.560   75.146   8.9674   53.382   16.801 21.76416 19.04418 
1 1 1  -17   20    4 o   78.706   8.5242   45.409   8.6623   35.074   12.272   55.672   12.229   68.509   13.697   88.903   10.150 -20.39430 17.04840 
1 1 1  -17   20    5 o   61.551   10.996   28.856   8.2771   29.531   9.3793   26.479   17.598   64.617   10.711   58.485   19.207 6.132214 21.99204 
1 1 1  -17   20    6 o   47.637   11.160   15.909   7.2925   16.030   8.1080   15.395   16.685   46.459   12.572   48.815   18.441 -2.356548 22.31925 
1 1 1  -17   20    7 o   46.187   8.1894   15.759   6.3317   27.098   8.3146   0.1074   9.7691   62.100   9.8802   30.273   13.063 31.82721 16.37880 
1 1 1  -17   20    8 o   74.576   8.5297   39.904   7.7617   39.270   9.3496   41.310   13.922   74.936   9.2070   74.217   14.361 0.7193298 17.05933 
1 1 1  -17   20    9 f   64.902   8.6708   29.634   6.4988   28.578   7.4812   32.882   13.119   64.049   8.6194   65.756   15.048 -1.706345 17.34155 
1 1 1  -17   20   10 o   46.966   9.4695   17.105   5.9657   18.671   6.8376   12.112   12.209   50.647   10.313   43.285   15.885 7.362396 18.93901 
1 1 1  -17   20   11 o   41.624   9.8856   11.851   5.8709   12.042   6.6292   11.155   12.642   40.569   11.520   42.678   16.068 -2.109344 19.77112 
1 1 1  -17   20   12 o   79.830   8.3726   49.757   7.0885   53.058   8.1362   39.358   14.440   87.710   6.8453   71.950   15.282 15.75945 16.74514 
1 1 1  -17   20   13 o   66.903   8.3353   29.768   6.5788   26.788   7.5990   38.684   13.145   61.910   9.0576   71.896   13.995 -9.986523 16.67054 
1 1 1  -17   20   14 o   64.609   9.0150   34.459   6.7892   39.163   7.9981   22.331   12.843   75.135   7.8553   54.084   16.229 21.05074 18.03001 
1 1 1  -17   20   15 o   61.172   8.5983   24.621   6.4216   19.813   7.5869   36.766   12.059   51.942   11.114   70.402   13.122 -18.45982 17.19656 
1 1 1  -17   20   16 o   87.559   6.8580   51.787   7.4001   49.018   8.7050   59.004   14.052   84.095   7.6386   91.023   11.392 -6.928101 13.71607 
1 1 1  -17   20   17 o   58.309   9.0742   25.476   6.6312   26.370   7.9614   23.451   11.983   61.276   9.5878   55.342   15.409 5.933857 18.14842 
1 1 1  -17   20   18 o   43.080   10.144   12.268   6.4696   10.455   7.7042   16.606   11.915   38.551   12.711   47.609   15.812 -9.057610 20.28792 
1 1 1  -17   20   19 o   39.731   10.014   9.5589   7.3898   16.257   9.8898   1.0920   11.119   46.714   14.291   32.748   14.031 13.96600 20.02736 
1 1 1  -17   20   20 o   43.508   9.9430   12.953   6.3315   11.212   7.6580   16.713   11.256   39.529   12.646   47.487   15.347 -7.957348 19.88593 
1 1 1  -17   20   21 f   69.018   8.2174   32.741   7.0087   29.672   8.3825   39.871   12.777   64.949   9.5240   73.087   13.394 -8.138527 16.43480 
1 1 1  -17   20   22 o   48.682   9.3412   19.277   6.6034   24.082   8.0420   9.3318   11.570   57.411   10.731   39.952   15.293 17.45927 18.68237 
1 1 1  -17   20   23 o   37.081   9.2625   3.7980   6.1084  -2.9240   7.3197   19.218   11.086   23.914   10.762   50.248   15.078 -26.33379 18.52499 
1 1 1  -17   20   24 o   44.151   9.4986   15.264   6.5620   19.569   7.9377   5.9705   11.662   51.286   11.682   37.017   14.980 14.26847 18.99720 
1 1 1  -17   20   25 o   85.802   7.2529   50.894   7.7647   48.820   9.2471   55.853   14.298   83.632   8.1592   87.972   11.994 -4.339706 14.50578 
1 1 1  -17   20   26 o   77.558   8.5087   42.123   8.9427   42.123   8.9427   0.0000   0.0000   77.558   8.5087  ?   ?       ?      ? 
1 1 1  -17   20   27 o   39.936   12.996   11.532   8.0632   11.532   8.0632   0.0000   0.0000   39.936   12.996  ?   ?       ?      ? 
1 1 1  -17   20   28 o   66.942   8.5616   33.109   7.0490   33.326   8.5614   32.654   12.420   68.738   9.1911   65.146   14.447 3.592293 17.12315 
1 1 1  -17   20   29 f   30.388   8.9617   0.9601   6.0124  -2.4070   7.4828   7.0938   10.099   24.500   10.964   36.275   14.179 -11.77461 17.92336 
1 1 1  -17   20   30 o   55.088   9.6319   23.501   6.9016   24.222   8.4578   22.065   11.940   57.103   11.330   53.072   15.580 4.030968 19.26388 
1 1 1  -17   20   31 o   34.884   8.9978   7.0484   6.2282   12.724   7.6342  -4.2476   10.770   41.306   12.539   28.462   12.908 12.84398 17.99565 
1 1 1  -17   20   32 f   50.874   9.4914   20.980   6.6069   23.932   8.0346   14.814   11.611   56.877   10.820   44.871   15.598 12.00573 18.98284 
1 1 1  -17   20   33 o   56.177   9.2351   25.465   6.8671   29.348   8.4549   17.937   11.772   64.163   9.7240   48.191   15.703 15.97197 18.47016 
1 1 1  -17   20   34 o   91.076   6.7999   55.516   7.8917   49.158   9.4496   70.173   14.348   83.547   8.3464   98.604   10.737 -15.05672 13.59976 
1 1 1  -17   20   35 o   37.470   9.6990   7.5757   6.2740   3.7722   7.6805   15.203   10.877   30.085   12.164   44.854   15.111 -14.76887 19.39796 
1 1 1  -17   20   36 o   47.106   9.7809   17.807   6.6601   20.145   8.1086   12.960   11.676   51.508   11.862   42.704   15.555 8.804066 19.56187 
1 1 1  -17   20   37 o   67.055   9.5333   35.020   8.4055   39.490   11.273   29.423   12.614   73.524   11.314   60.587   15.347 12.93699 19.06655 
1 1 1  -17   20   38 o   60.188   11.556   28.457   9.4983   36.375   15.406   23.601   12.064   66.279   17.053   54.096   15.599 12.18340 23.11138 
1 1 1  -17   20   39 o   29.892   8.9877  -0.0865   6.5593  -5.3600   8.7189   6.7902   9.9564   24.434   11.278   35.350   13.997 -10.91585 17.97548 
1 1 1  -17   20   40 o   30.218   8.6759  -0.5267   6.6716   10.293   8.8205 -14.9929   10.199   38.136   13.567   22.300   10.818 15.83626 17.35177 
1 1 1  -17   20   41 f   31.205   9.1480   1.0644   6.6453  -5.1425   8.8140   9.2399   10.116   24.663   11.369   37.747   14.335 -13.08364 18.29595 
1 1 1  -17   20   42 o   53.175   9.4368   19.475   7.4616   7.1387   9.5230   39.093   12.009   35.137   13.759   71.214   12.920 -36.07717 18.87367 
1 1 1  -17   20   43 o   52.831   13.649   22.138   9.8410   22.138   9.8410   0.0000   0.0000   52.831   13.649  ?   ?       ?      ? 
1 1 1  -17   20   44 o   51.831   14.277   21.600   10.347   21.600   10.347   0.0000   0.0000   51.831   14.277  ?   ?       ?      ? 
1 1 1  -17   20   45 o   33.794   9.7486   5.2353   7.1509   7.8890   9.5567   1.8594   10.779   35.748   13.842   31.840   13.731 3.908152 19.49717 
1 1 1  -17   20   46 o   39.269   10.064   10.251   7.5129   17.247   10.157   1.7982   11.164   46.359   14.532   32.179   13.925 14.18021 20.12714 
1 1 1  -17   20   47 o   38.403   9.9833   7.7454   7.3942  -0.4997   9.7683   18.809   11.315   28.843   12.739   47.963   15.375 -19.12055 19.96669 
1 1 1  -17   20   48 o   57.530   10.480   27.203   8.1599   27.275   10.714   27.105   12.591   58.263   13.785   56.797   15.789 1.466099 20.96022 
1 1 1  -17   20   49 o   70.706   9.8924   41.368   9.0305   48.135   11.795   31.783   14.037   80.563   10.804   60.849   16.574 19.71342 19.78483 
1 1 1  -17   20   50 o   75.515   17.186   49.279   17.192   49.279   17.192   0.0000   0.0000   75.515   17.186  ?   ?       ?      ? 
1 1 1  -17   20   51 f   43.377   16.995   14.055   14.537   14.055   14.537   0.0000   0.0000   43.377   16.995  ?   ?       ?      ? 
1 1 1  -17   20   52 o   58.849   16.428   30.210   13.601   0.0000   0.0000   30.210   13.601  ?   ?    58.849   16.428      ?      ? 
1 1 1  -17   20   53 o   34.775   14.260   6.5068   10.737   0.0000   0.0000   6.5068   10.737  ?   ?    34.775   14.260      ?      ? 
1 1 1  -17   20   54 o   55.783   15.295   26.782   11.908   0.0000   0.0000   26.782   11.908  ?   ?    55.783   15.295      ?      ? 
1 1 1  -17   20   55 o   36.610   14.744   8.6158   11.238   0.0000   0.0000   8.6158   11.238  ?   ?    36.610   14.744      ?      ? 
1 1 1  -17   20   56 o   43.614   16.013   16.146   12.408   0.0000   0.0000   16.146   12.408  ?   ?    43.614   16.013      ?      ? 
1 1 1  -17   20   57 o   29.387   13.299  -1.3179   11.361   0.0000   0.0000  -1.3179   11.361  ?   ?    29.387   13.299      ?      ? 
1 1 1  -17   21    1 o   45.558   9.5794   14.840   6.8902   6.4604   9.4110   24.521   10.115   34.764   13.658   56.351   13.436 -21.58723 19.15882 
1 1 1  -17   21    2 o   30.356   9.0780   1.8314   6.4449   0.3119   8.8789   3.5237   9.3698   28.701   12.419   32.010   13.244 -3.309481 18.15602 
1 1 1  -17   21    3 o   49.327   9.9924   18.897   7.0255   19.447   9.8098   18.317   10.066   50.063   13.943   48.592   14.317 1.470818 19.98488 
1 1 1  -17   21    4 o   47.885   9.8280   17.518   7.0035   23.477   9.9358   11.634   9.8734   55.172   13.418   40.598   14.363 14.57389 19.65591 
1 1 1  -17   21    5 o   48.281   10.036   18.013   7.0231   16.294   9.8888   19.763   9.9763   46.113   14.321   50.448   14.065 -4.335388 20.07238 
1 1 1  -17   21    6 o   44.936   9.9382   14.668   7.1857   7.1855   10.069   22.431   10.257   36.139   14.149   53.733   13.960 -17.59439 19.87644 
1 1 1  -17   21    7 o   58.542   9.3146   26.423   7.5595   16.108   10.745   36.534   10.638   46.000   15.003   71.084   11.043 -25.08444 18.62924 
1 1 1  -17   21    8 o   56.557   9.7055   20.586   6.8599   14.542   7.9984   37.400   13.341   43.802   12.721   69.311   14.661 -25.50819 19.41098 
1 1 1  -17   21    9 o   56.257   9.7598   20.494   6.9054   14.452   8.0743   36.945   13.324   43.675   12.810   68.839   14.728 -25.16414 19.51955 
1 1 1  -17   21   10 o   63.195   9.4890   32.498   7.3212   35.752   8.6986   24.593   13.557   71.062   9.0328   55.327   16.690 15.73514 18.97800 
1 1 1  -17   21   11 f   49.431   10.224   18.504   6.8258   18.050   8.0653   19.650   12.814   48.737   12.231   50.124   16.386 -1.386421 20.44785 
1 1 1  -17   21   12 o   30.429   9.2212   0.8688   6.0727  -0.5017   7.0907   4.6405   11.763   25.240   11.009   35.618   14.796 -10.37804 18.44237 
1 1 1  -17   21   13 f   50.676   10.308   17.137   6.9599   12.567   8.1853   29.065   13.224   41.090   13.067   60.262   15.946 -19.17207 20.61565 
1 1 1  -17   21   14 o   52.278   8.4304   10.831   9.1509 -21.4724   12.507   48.044   13.424   23.667   11.589   80.889   12.246 -57.22190 16.86073 
1 1 1  -17   21   15 o   42.846   11.120   12.346   8.7214   6.8959   12.586   17.380   12.097   38.117   15.513   47.574   15.936 -9.456806 22.23942 
1 1 1  -17   21   16 o   39.627   10.209   9.4620   6.7476   6.7262   8.1609   15.374   11.997   33.825   12.869   45.428   15.851 -11.60331 20.41711 
1 1 1  -17   21   17 o   40.505   10.098   10.635   6.6203   7.9992   8.1168   15.875   11.443   35.231   12.949   45.779   15.498 -10.54843 20.19556 
1 1 1  -17   21   18 o   34.257   9.6098   5.9676   6.7019   8.6572   8.2550   0.7675   11.478   36.102   13.090   32.412   14.073 3.689610 19.21969 
1 1 1  -17   21   19 o   48.346   10.532   17.656   7.2837   16.272   8.9438   20.382   12.551   45.983   13.480   50.709   16.187 -4.725925 21.06479 
1 1 1  -17   21   20 o   53.074   10.328   22.080   7.4523   21.988   9.2452   22.251   12.592   53.448   12.910   52.700   16.126 0.7482300 20.65690 
1 1 1  -17   21   21 o   51.236   10.269   21.877   7.6277   25.803   9.2522   13.546   13.477   58.346   12.099   44.125   16.595 14.22084 20.53715 
1 1 1  -17   21   22 o   58.825   12.247   26.304   9.4457   26.304   9.4457   0.0000   0.0000   58.825   12.247  ?   ?       ?      ? 
1 1 1  -17   21   23 o   28.826   9.0010  -0.6731   6.7157   1.5914   8.1687  -5.3953   11.796   28.630   12.139   29.022   13.294 -0.3923855 18.00209 
1 1 1  -17   21   24 o   58.321   10.088   25.277   7.6427   21.084   9.4345   33.280   13.035   52.050   13.320   64.593   15.153 -12.54305 20.17547 
1 1 1  -17   21   25 o   40.857   10.254   12.159   7.2100   14.653   9.0052   7.7043   12.034   43.698   13.682   38.016   15.276 5.681717 20.50718 
1 1 1  -17   21   26 f   44.403   10.519   13.525   7.3515   8.9503   9.1728   21.739   12.292   36.916   13.728   51.891   15.942 -14.97503 21.03844 
1 1 1  -17   21   27 o   48.164   10.108   16.057   7.2684   8.8290   9.1521   28.402   11.961   36.739   13.703   59.589   14.862 -22.85011 20.21506 
1 1 1  -17   21   28 o   34.478   9.5819   6.1241   6.8425   10.246   8.9054   0.1835   10.691   38.143   13.625   30.812   13.476 7.331001 19.16390 
1 1 1  -17   21   29 o   72.441   8.2935   37.811   8.0057   33.611   10.247   44.392   12.826   67.690   11.171   77.192   12.262 -9.501434 16.58699 
1 1 1  -17   21   30 o   24.681   8.0581  -7.0770   6.5844  -0.7899   8.8439 -14.8960   9.8626   27.573   12.152   21.790   10.586 5.783230 16.11611 
1 1 1  -17   21   31 o   49.032   9.5315   19.621   7.2101   27.956   9.5152   8.3817   11.049   60.492   12.031   37.572   14.787 22.92062 19.06295 
1 1 1  -17   21   32 o   52.380   8.5870   17.132   7.1203   2.4464   9.0558   40.911   11.524   30.351   12.820   74.409   11.428 -44.05798 17.17396 
1 1 1  -17   21   33 o   34.048   10.167   3.8714   7.9203   4.1054   12.532   3.7157   10.220   35.373   15.018   32.723   13.709 2.650826 20.33441 
1 1 1  -17   21   34 o   37.113   10.444   4.7924   7.9958   16.257   13.215  -1.8290   10.043   45.769   16.567   28.456   12.721 17.31314 20.88754 
1 1 1  -17   21   35 o   49.082   10.183   19.464   7.2195   20.564   9.6444   18.062   10.888   50.791   13.698   47.373   15.071 3.417839 20.36632 
1 1 1  -17   21   36 o   34.078   9.2153   3.0257   6.6757  -6.0585   8.8004   15.338   10.245   24.005   11.167   44.150   14.663 -20.14520 18.43065 
1 1 1  -17   21   37 o   48.061   10.289   18.231   7.2288   15.430   9.4810   22.120   11.172   44.178   14.065   51.944   15.020 -7.765884 20.57728 
1 1 1  -17   21   38 o   42.831   10.424   13.926   7.2945   11.479   9.6531   17.184   11.137   39.494   14.178   46.169   15.286 -6.674435 20.84836 
1 1 1  -17   21   39 o   59.273   10.272   28.231   8.0962   26.036   10.563   31.357   12.605   56.901   13.833   61.646   15.188 -4.745705 20.54346 
1 1 1  -17   21   40 o   40.225   14.377   12.149   9.9167   12.149   9.9167   0.0000   0.0000   40.225   14.377  ?   ?       ?      ? 
1 1 1  -17   21   41 o   40.403   10.428   12.134   7.5948   15.220   10.029   7.9836   11.630   43.679   14.507   37.128   14.983 6.550854 20.85502 
1 1 1  -17   21   42 o   51.619   11.799   22.975   9.3939   21.536   14.638   23.982   12.249   50.055   17.507   53.182   15.825 -3.127007 23.59886 
1 1 1  -17   21   43 o   75.951   10.728   47.309   10.532   49.789   16.346   45.549   13.771   76.691   16.235   75.212   14.028 1.479309 21.45551 
1 1 1  -17   21   44 o   60.919   11.672   31.485   9.7667   37.954   15.349   27.085   12.660   65.690   17.082   56.148   15.912 9.541771 23.34500 
1 1 1  -17   21   45 o   31.508   9.9270   0.2279   8.2780  -0.7926   13.981   0.7787   10.272   33.005   14.861   30.010   13.165 2.994633 19.85391 
1 1 1  -17   21   46 o   43.124   11.375   12.791   8.8755   23.446   14.656   6.6214   11.153   51.081   17.538   35.168   14.490 15.91298 22.74949 
1 1 1  -17   21   47 o   31.305   9.8226   0.3320   8.3974  -7.4086   14.241   4.4579   10.397   29.930   14.015   32.680   13.766 -2.749851 19.64527 
1 1 1  -17   21   48 o   50.264   15.981   22.298   12.244   0.0000   0.0000   22.298   12.244  ?   ?    50.264   15.981      ?      ? 
1 1 1  -17   21   49 o   48.948   15.914   21.251   12.092   0.0000   0.0000   21.251   12.092  ?   ?    48.948   15.914      ?      ? 
1 1 1  -17   21   50 o   22.749   10.991 -12.4213   10.267   0.0000   0.0000 -12.4213   10.267  ?   ?    22.749   10.991      ?      ? 
1 1 1  -17   21   51 o   24.246   11.582  -9.9332   10.682   0.0000   0.0000  -9.9332   10.682  ?   ?    24.246   11.582      ?      ? 
1 1 1  -17   21   52 o   36.096   14.891   8.4486   11.796   0.0000   0.0000   8.4486   11.796  ?   ?    36.096   14.891      ?      ? 
1 1 1  -17   21   53 f   32.918   14.312   4.2370   11.904   0.0000   0.0000   4.2370   11.904  ?   ?    32.918   14.312      ?      ? 
1 1 1  -17   22    1 o   42.194   10.940   12.068   7.8927   8.9916   9.7539   17.902   13.433   37.056   14.076   47.333   16.753 -10.27677 21.88097 
1 1 1  -17   22    2 o   78.001   9.4247   46.665   9.5188   45.592   12.257   48.295   15.109   78.358   11.543   77.645   14.901 0.7128601 18.84931 
1 1 1  -17   22    3 o   55.251   11.073   25.487   8.6871   27.559   11.291   22.481   13.600   58.583   14.339   51.919   16.877 6.663757 22.14532 
1 1 1  -17   22    4 o   49.744   11.095   19.480   8.3562   15.184   10.955   25.458   12.923   44.193   15.162   55.295   16.202 -11.10285 22.19005 
1 1 1  -17   22    5 o   53.924   11.150   24.180   8.6967   26.158   11.523   21.562   13.256   56.798   14.816   51.050   16.665 5.748291 22.29911 
1 1 1  -17   22    6 o   37.542   10.449   8.0183   8.1385   12.745   10.589   1.1965   12.721   41.472   14.853   33.612   14.700 7.859337 20.89766 
1 1 1  -17   22    7 o   48.854   11.145   19.502   8.4546   21.527   11.127   16.736   13.005   51.492   15.019   46.215   16.470 5.276646 22.28954 
1 1 1  -17   22    8 o   53.362   11.083   22.239   8.9996   12.739   12.041   34.264   13.547   42.080   15.713   64.643   15.635 -22.56270 22.16657 
1 1 1  -17   22    9 o   54.912   16.692   25.279   13.521   0.0000   0.0000   25.279   13.521  ?   ?    54.912   16.692      ?      ? 
1 1 1  -17   22   10 o   55.922   16.727   26.277   13.660   0.0000   0.0000   26.277   13.660  ?   ?    55.922   16.727      ?      ? 
1 1 1  -17   22   11 o   43.909   10.763   14.836   8.1329   19.352   10.746   8.7802   12.443   48.998   14.877   38.820   15.557 10.17808 21.52531 
1 1 1  -17   22   12 o   37.527   10.230   8.7325   7.5762   12.398   9.9493   3.6738   11.688   40.846   14.422   34.207   14.513 6.639069 20.45988 
1 1 1  -17   22   13 o   40.306   10.642   11.132   7.7797   8.9089   10.356   14.011   11.786   37.424   14.432   43.189   15.644 -5.764790 21.28459 
1 1 1  -17   22   14 o   52.881   10.803   23.148   8.3957   28.044   11.394   17.331   12.419   59.089   14.368   46.673   16.137 12.41655 21.60629 
1 1 1  -17   22   15 o   77.211   9.5896   45.627   9.7087   36.569   13.053   56.842   14.525   67.462   14.694   86.960   12.326 -19.49841 19.17918 
1 1 1  -17   22   16 o   31.338   9.5438   0.8190   7.6151   5.8990   10.256  -5.4221   11.368   34.536   14.023   28.140   12.949 6.395840 19.08754 
1 1 1  -17   22   17 f   33.389   14.055   3.8241   10.827   3.8241   10.827   0.0000   0.0000   33.389   14.055  ?   ?       ?      ? 
1 1 1  -17   22   18 f   32.309   13.909   2.1084   11.023   2.1084   11.023   0.0000   0.0000   32.309   13.909  ?   ?       ?      ? 
1 1 1  -17   22   19 o   64.906   10.832   34.354   9.3612   32.325   12.806   36.682   13.718   62.884   15.197   66.927   15.440 -4.042938 21.66424 
1 1 1  -17   22   20 o   63.384   10.901   32.676   9.3208   26.652   12.636   39.864   13.804   56.584   15.848   70.184   14.970 -13.59933 21.80106 
1 1 1  -17   22   21 o   44.350   11.417   15.120   8.8816   15.191   12.156   15.038   13.008   44.306   15.909   44.395   16.381 -0.8917618E-01 22.83466 
1 1 1  -17   22   22 o   47.643   11.108   17.475   8.8042   9.1648   12.110   26.792   12.823   38.720   15.403   56.566   16.007 -17.84656 22.21501 
1 1 1  -17   22   23 o   51.152   11.495   21.830   9.0096   24.367   12.699   19.259   12.784   53.889   16.131   48.415   16.382 5.473911 22.99031 
1 1 1  -17   22   24 o   91.456   8.6159   63.111   10.678   63.021   15.082   63.201   15.120   91.396   12.177   91.516   12.192 -0.1193390 17.23180 
1 1 1  -17   22   25 o   56.190   11.158   26.442   8.8387   26.090   12.946   26.750   12.097   55.588   16.196   56.792   15.352 -1.203690 22.31555 
1 1 1  -17   22   26 o   56.331   11.289   26.749   9.0016   26.133   13.357   27.262   12.184   55.386   16.535   57.275   15.375 -1.888721 22.57872 
1 1 1  -17   22   27 o   30.134   9.4497  -2.6821   8.1181 -11.7115   11.931   5.1023   11.078   25.847   12.318   34.420   14.334 -8.572929 18.89946 
1 1 1  -17   22   28 o   55.915   10.935   24.667   9.1826   40.353   13.990   12.793   12.172   70.093   15.169   41.736   15.755 28.35687 21.87002 
1 1 1  -17   22   29 o   45.356   15.501   16.641   11.448   0.0000   0.0000   16.641   11.448  ?   ?    45.356   15.501      ?      ? 
1 1 1  -17   22   30 o   52.810   15.586   23.468   11.921   0.0000   0.0000   23.468   11.921  ?   ?    52.810   15.586      ?      ? 
1 1 1  -17   22   31 o   47.251   11.250   16.789   8.7945   27.766   13.765   9.2159   11.432   56.546   16.764   37.957   15.008 18.58866 22.50043 
1 1 1  -17   22   32 f   38.174   10.776   8.8189   8.2476   11.974   13.173   6.7844   10.577   41.197   16.167   35.152   14.252 6.045036 21.55253 
1 1 1  -17   22   33 f   53.132   11.547   24.645   9.1550   21.849   14.420   26.534   11.850   50.129   17.385   56.134   15.202 -6.004238 23.09422 
1 1 1  -17   22   34 o   40.509   11.181   11.503   8.6445   12.951   14.232   10.656   10.882   42.264   16.735   38.754   14.832 3.510384 22.36165 
1 1 1  -17   22   35 o   58.511   11.843   30.697   9.9441   26.659   15.577   33.475   12.919   54.085   18.084   62.938   15.297 -8.853004 23.68588 
1 1 1  -17   22   36 o   48.329   17.734   20.392   15.216   20.392   15.216   0.0000   0.0000   48.329   17.734  ?   ?       ?      ? 
1 1 1  -17   22   37 o   33.974   10.544   2.5560   9.0892   3.5012   14.749   1.9773   11.541   35.870   15.754   32.078   14.017 3.791401 21.08707 
1 1 1  -17   22   38 o   53.958   11.771   26.970   9.8100   19.543   16.050   31.400   12.395   47.286   18.033   60.631   15.133 -13.34483 23.54161 
1 1 1  -17   22   39 o   68.493   11.477   39.950   10.359   49.511   16.457   33.674   13.333   74.906   16.644   62.079   15.806 12.82622 22.95382 
1 1 1  -17   22   40 o   29.044   9.5217  -4.9238   8.5970  -2.2997   14.064  -6.4893   10.863   31.854   14.563   26.233   12.270 5.620697 19.04341 
1 1 1  -17   22   41 o   34.118   10.409   4.3252   8.8752  -1.8300   14.642   7.9004   11.159   32.495   14.858   35.741   14.583 -3.245461 20.81863 
1 1 1  -17   22   42 o   35.587   10.699   6.4965   8.8516   6.2205   14.351   6.6659   11.246   36.500   15.791   34.675   14.441 1.824608 21.39895 
1 1 1  -17   22   43 o   34.435   10.632   4.3707   9.1380   5.5096   14.883   3.6815   11.577   36.241   15.874   32.629   14.150 3.611755 21.26491 
1 1 1  -17   22   44 o   31.862   10.144  -0.6106   8.8267   6.8982   14.765  -4.7864   11.011   36.785   15.966   26.938   12.518 9.847149 20.28816 
1 1 1  -17   22   45 o   29.664   13.347  -0.0832   11.252   0.0000   0.0000  -0.0832   11.252  ?   ?    29.664   13.347      ?      ? 
1 1 1  -17   22   46 o   37.655   15.134   10.819   11.813   0.0000   0.0000   10.819   11.813  ?   ?    37.655   15.134      ?      ? 
1 1 1  -17   22   47 o   41.804   15.822   15.746   12.296   0.0000   0.0000   15.746   12.296  ?   ?    41.804   15.822      ?      ? 
1 1 1  -17   22   48 o   24.075   11.587 -10.7446   11.147   0.0000   0.0000 -10.7446   11.147  ?   ?    24.075   11.587      ?      ? 
1 1 1  -17   22   49 o   26.152   12.267  -5.1479   10.988   0.0000   0.0000  -5.1479   10.988  ?   ?    26.152   12.267      ?      ? 
1 1 1  -17   22   50 o   24.121   11.634 -10.7605   11.383   0.0000   0.0000 -10.7605   11.383  ?   ?    24.121   11.634      ?      ? 
1 1 1  -17   23    1 o   37.970   10.849   9.0056   8.5896   9.1294   11.403   8.8433   13.060   37.566   14.946   38.374   15.730 -0.8075714 21.69886 
1 1 1  -17   23    2 o   45.590   11.690   17.256   9.3223   18.157   12.868   16.260   13.523   46.450   16.402   44.731   16.662 1.718761 23.38049 
1 1 1  -17   23    3 o   42.168   15.978   13.654   12.549   0.0000   0.0000   13.654   12.549  ?   ?    42.168   15.978      ?      ? 
1 1 1  -17   23    4 o   33.882   14.539   3.7445   11.973   0.0000   0.0000   3.7445   11.973  ?   ?    33.882   14.539      ?      ? 
1 1 1  -17   23    5 o   32.485   9.8583   2.0469   7.9415  -2.8642   10.925   7.5498   11.564   28.555   12.970   36.415   14.850 -7.859182 19.71661 
1 1 1  -17   23    6 o   30.479   9.2445  -2.2986   7.5555 -13.2640   10.427   9.8218   10.963   22.957   11.089   38.001   14.795 -15.04421 18.48891 
1 1 1  -17   23    7 o   41.930   10.761   13.764   7.8837   13.821   10.809   13.698   11.524   41.905   15.007   41.955   15.427 -0.5030823E-01 21.52226 
1 1 1  -17   23    8 o   40.270   10.637   11.055   8.0385   5.3034   10.830   18.111   11.995   34.022   14.171   46.519   15.867 -12.49703 21.27400 
1 1 1  -17   23    9 o   27.476   8.7121  -5.2013   7.2881   4.6563   10.097 -15.9250   10.531   32.811   13.676   22.141   10.797 10.66966 17.42422 
1 1 1  -17   23   10 o   39.024   10.679   10.249   8.1762   6.2210   11.408   14.504   11.725   35.242   14.600   42.805   15.588 -7.563107 21.35782 
1 1 1  -17   23   11 o   32.683   9.9628   2.8587   8.0245   3.4693   11.225   2.2205   11.476   32.994   14.116   32.372   14.063 0.6226311 19.92559 
1 1 1  -17   23   12 o   33.296   14.151   4.0006   11.146   4.0006   11.146   0.0000   0.0000   33.296   14.151  ?   ?       ?      ? 
1 1 1  -17   23   13 o   27.961   12.783  -3.6958   10.834  -3.6958   10.834   0.0000   0.0000   27.961   12.783  ?   ?       ?      ? 
1 1 1  -17   23   14 o   37.016   10.339   8.0857   7.9990   1.9493   11.586   13.674   11.057   32.272   14.074   41.761   15.148 -9.488281 20.67737 
1 1 1  -17   23   15 o   40.052   10.722   11.730   8.1268   8.0623   11.864   14.972   11.155   36.996   15.059   43.108   15.265 -6.111187 21.44327 
1 1 1  -17   23   16 o   37.913   10.609   9.3948   8.0719   11.083   11.887   7.9506   10.996   39.549   15.403   36.276   14.593 3.272972 21.21865 
1 1 1  -17   23   17 o   51.140   11.428   22.569   8.8647   25.037   12.979   20.410   12.137   53.485   16.373   48.794   15.947 4.691082 22.85566 
1 1 1  -17   23   18 o   35.787   10.032   4.9372   8.1949  -7.0450   11.825   16.011   11.368   27.446   12.826   44.128   15.428 -16.68227 20.06335 
1 1 1  -17   23   19 o   36.722   10.504   7.3220   8.3106   13.025   12.017   2.0934   11.506   41.260   15.635   32.184   14.030 9.076290 21.00736 
1 1 1  -17   23   20 f   38.844   10.710   9.9550   8.1664   15.092   12.413   6.0349   10.844   43.248   15.993   34.440   14.248 8.807915 21.41914 
1 1 1  -17   23   21 o   26.305   8.6844  -7.4600   7.5645  -1.9239   11.564 -11.6013   10.001   29.709   13.433   22.900   11.010 6.808838 17.36885 
1 1 1  -17   23   22 o   36.890   10.270   6.5070   7.9532   17.001   12.201  -1.2471   10.488   44.973   15.961   28.807   12.930 16.16551 20.54057 
1 1 1  -17   23   23 o   42.462   11.080   14.245   8.4081   17.592   12.616   11.571   11.278   45.491   16.221   39.434   15.098 6.057251 22.15983 
1 1 1  -17   23   24 o   32.414   13.910   3.4628   10.959   0.0000   0.0000   3.4628   10.959  ?   ?    32.414   13.910      ?      ? 
1 1 1  -17   23   25 o   40.765   15.407   12.986   11.650   0.0000   0.0000   12.986   11.650  ?   ?    40.765   15.407      ?      ? 
1 1 1  -17   23   26 o   30.437   9.6718  -0.6766   8.1656   0.3924   12.907  -1.3898   10.544   32.228   14.413   28.646   12.901 3.582808 19.34361 
1 1 1  -17   23   27 o   60.295   11.464   32.774   9.6025   29.749   14.608   35.076   12.743   56.564   17.379   64.026   14.957 -7.462311 22.92879 
1 1 1  -17   23   28 f   34.320   10.141   5.3587   8.2811  -2.9752   13.250   10.700   10.608   30.657   14.060   37.983   14.618 -7.325953 20.28242 
1 1 1  -17   23   29 o   42.284   11.448   14.280   8.9353   17.439   14.623   12.398   11.288   44.803   17.182   39.765   15.133 5.037418 22.89625 
1 1 1  -17   23   30 o   40.636   10.859   12.903   8.9522   1.7953   14.634   19.546   11.317   34.194   15.315   47.078   15.400 -12.88363 21.71894 
1 1 1  -17   23   31 o   28.128   13.407 -10.6083   14.151 -10.6083   14.151   0.0000   0.0000   28.128   13.407  ?   ?       ?      ? 
1 1 1  -17   23   32 o   43.813   17.447   16.664   15.551   16.664   15.551   0.0000   0.0000   43.813   17.447  ?   ?       ?      ? 
1 1 1  -17   23   33 o   32.282   10.164  -0.8657   8.7218   10.328   14.581  -7.1026   10.884   38.889   16.338   25.676   12.095 13.21376 20.32765 
1 1 1  -17   23   34 o   37.285   10.961   8.2264   8.7858   15.029   14.853   4.5655   10.896   42.120   16.955   32.451   13.896 9.668449 21.92218 
1 1 1  -17   23   35 o   45.119   11.347   14.121   9.4347   34.240   15.458   2.1775   11.911   58.624   17.853   31.614   14.009 27.00973 22.69315 
1 1 1  -17   23   36 o   42.385   11.572   12.660   9.3910   27.956   15.966   4.5698   11.612   51.973   18.278   32.797   14.197 19.17635 23.14402 
1 1 1  -17   23   37 o   29.918   9.6568  -1.3211   8.8146  -8.9275   14.577   3.0634   11.067   28.627   13.635   31.209   13.679 -2.581961 19.31351 
1 1 1  -17   23   38 o   36.280   10.480   8.2435   9.2070  -7.4510   15.602   16.630   11.405   29.959   14.222   42.602   15.395 -12.64289 20.95921 
1 1 1  -17   23   39 o   54.844   12.468   30.552   10.272   34.586   16.954   28.211   12.912   55.990   18.865   53.698   16.308 2.292213 24.93692 
1 1 1  -17   23   40 o   39.340   11.247   13.541   9.4472   8.6874   15.584   16.361   11.879   36.887   16.198   41.793   15.607 -4.905846 22.49317 
1 1 1  -17   23   41 o   31.434   13.778   4.0739   11.231   0.0000   0.0000   4.0739   11.231  ?   ?    31.434   13.778      ?      ? 
1 1 1  -17   23   42 o   51.568   16.384   27.173   12.871   0.0000   0.0000   27.173   12.871  ?   ?    51.568   16.384      ?      ? 
1 1 1  -17   23   43 o   21.753   10.588 -12.0594   9.9950   0.0000   0.0000 -12.0594   9.9950  ?   ?    21.753   10.588      ?      ? 
1 1 1  -17   23   44 o   24.219   11.531  -6.8962   10.404   0.0000   0.0000  -6.8962   10.404  ?   ?    24.219   11.531      ?      ? 
1 1 1  -17   24    4 o   42.047   11.356   15.459   9.0798   12.945   13.153   17.748   12.550   39.965   16.002   44.130   16.119 -4.165916 22.71284 
1 1 1  -17   24    5 o   35.395   10.377   7.1679   8.5632  -0.2093   12.885   13.004   11.460   31.135   14.120   39.654   15.210 -8.518553 20.75395 
1 1 1  -17   24    6 o   72.324   15.436   46.548   14.668   46.548   14.668   0.0000   0.0000   72.324   15.436  ?   ?       ?      ? 
1 1 1  -17   24    7 o   55.232   16.644   29.021   13.487   29.021   13.487   0.0000   0.0000   55.232   16.644  ?   ?       ?      ? 
1 1 1  -17   24    8 o   32.175   9.9353   3.0961   8.3206  -1.1354   12.365   6.5975   11.248   30.183   13.743   34.167   14.351 -3.984352 19.87053 
1 1 1  -17   24    9 o   41.463   10.987   13.980   8.4396   20.629   12.821   8.8961   11.211   46.950   16.387   35.977   14.641 10.97272 21.97467 
1 1 1  -17   24   10 o   54.012   9.9689   23.019   9.0615   48.320   13.709   3.3864   12.076   75.472   13.917   32.552   14.277 42.91998 19.93776 
1 1 1  -17   24   11 o   37.656   10.698   10.552   8.4238   7.7507   12.671   12.771   11.277   35.895   15.163   39.417   15.096 -3.522484 21.39599 
1 1 1  -17   24   12 o   44.827   10.558   13.817   8.8105   33.492   13.571  -0.5182   11.584   59.930   16.285   29.725   13.442 30.20508 21.11643 
1 1 1  -17   24   13 o   38.232   10.738   11.255   8.4429   7.6594   12.699   14.104   11.303   35.808   15.156   40.656   15.216 -4.848206 21.47574 
1 1 1  -17   24   14 o   38.153   10.283   7.1137   8.2256   23.317   12.832  -4.1899   10.717   49.563   16.407   26.744   12.400 22.81914 20.56596 
1 1 1  -17   24   15 o   42.828   11.310   16.392   8.7562   16.559   13.615   16.274   11.435   42.916   16.549   42.740   15.420 0.1764145 22.61949 
1 1 1  -17   24   16 o   32.137   10.017   2.6835   8.3045   5.9874   13.275   0.5589   10.645   34.944   15.153   29.330   13.105 5.614286 20.03365 
1 1 1  -17   24   17 o   42.867   11.416   16.309   8.8875   18.922   14.046   14.564   11.477   44.784   16.920   40.950   15.331 3.834064 22.83258 
1 1 1  -17   24   18 o   52.850   11.871   26.663   9.4557   31.255   14.695   23.419   12.353   55.986   17.469   49.714   16.078 6.272495 23.74184 
1 1 1  -17   24   19 o   47.402   15.715   21.033   11.770   0.0000   0.0000   21.033   11.770  ?   ?    47.402   15.715      ?      ? 
1 1 1  -17   24   20 o   45.735   15.396   19.362   11.291   0.0000   0.0000   19.362   11.291  ?   ?    45.735   15.396      ?      ? 
1 1 1  -17   24   21 o   44.239   11.350   15.656   8.9588   29.752   14.698   7.3239   11.300   54.109   17.542   34.370   14.408 19.73878 22.70090 
1 1 1  -17   24   22 o   44.025   11.461   16.477   9.1757   27.836   14.508   8.9036   11.846   52.241   17.452   35.808   14.860 16.43262 22.92128 
1 1 1  -17   24   23 o   45.008   11.268   16.720   8.8609   30.920   14.382   8.0319   11.250   55.267   17.288   34.749   14.455 20.51857 22.53524 
1 1 1  -17   24   24 o   34.498   10.431   5.3037   8.4634   14.205   13.962   0.1329   10.641   40.274   16.359   28.722   12.946 11.55252 20.86158 
1 1 1  -17   24   25 o   27.674   9.1493  -4.1252   8.1429  -2.4735   13.611  -5.0458   10.162   30.066   13.953   25.281   11.839 4.785204 18.29866 
1 1 1  -17   24   26 o   33.679   10.315   5.6870   8.4182   9.5305   13.767   3.3916   10.639   36.682   15.661   30.675   13.429 6.006823 20.63046 
1 1 1  -17   24   27 o   33.036   14.713   4.1882   13.300   4.1882   13.300   0.0000   0.0000   33.036   14.713  ?   ?       ?      ? 
1 1 1  -17   24   28 o   20.145   10.120 -28.5581   12.215 -28.5581   12.215   0.0000   0.0000   20.145   10.120  ?   ?       ?      ? 
1 1 1  -17   24   29 o   25.203   8.3538  -8.8550   8.0118 -31.5547   13.896   2.4474   9.8056   21.368   10.742   29.037   12.797 -7.669685 16.70764 
1 1 1  -17   24   30 o   30.843   9.8513   2.2053   8.6487  -2.1083   14.814   4.4358   10.653   30.666   14.339   31.020   13.512 -0.3539581 19.70254 
1 1 1  -17   24   31 o   37.794   10.834   12.723   8.8641   7.4620   14.588   15.803   11.161   34.997   15.506   40.590   15.134 -5.592548 21.66736 
1 1 1  -17   24   32 o   41.652   11.503   16.122   9.1462   25.623   15.237   10.771   11.435   47.401   17.681   35.903   14.719 11.49759 23.00556 
1 1 1  -17   24   33 o   25.621   8.6302  -7.1112   8.3399 -16.3645   14.075  -2.1044   10.353   24.807   12.178   26.434   12.232 -1.626059 17.26045 
1 1 1  -16    0    1 o  493.776   12.596  1656.46   84.163   0.0000   0.0000  1656.46   84.163  493.776   12.596  493.776   12.596 -0.000000 0.000000 
1 1 1  -16    0    2 o  160.588   8.2885  176.183   17.928   0.0000   0.0000  176.183   17.928  160.588   8.2885  160.588   8.2885 -0.000000 0.000000 
1 1 1  -16    0    3 o  407.840   11.136  1130.22   61.441   0.0000   0.0000  1130.22   61.441  407.840   11.136  407.840   11.136 -0.000000 0.000000 
1 1 1  -16    0    4 o  407.958   11.040  1130.83   60.931  1130.83   60.931   0.0000   0.0000  407.958   11.040  407.958   11.040 -0.000000 0.000000 
1 1 1  -16    0    5 o  1130.85   17.970  8703.24  275.028  8855.33  393.371  8557.81  384.672  1140.51   25.481  1121.18   25.347 -0.000000 0.000000 
1 1 1  -16    0    6 o  166.735   5.7813  189.628   12.961  207.301   18.633  173.058   18.042  174.348   7.9236  159.123   8.4207 -0.000000 0.000000 
1 1 1  -16    0    7 o  710.374   11.843  3429.64  113.861  3409.20  160.385  3450.40  161.670  708.240   16.732  712.509   16.765 -0.000000 0.000000 
1 1 1  -16    0    8 o  315.563   6.8185  676.664   29.089  657.414   40.722  696.723   41.568  310.964   9.6848  320.161   9.6005 -0.000000 0.000000 
1 1 1  -16    0    9 o  728.502   12.106  3606.37  119.346  3663.13  170.445  3551.78  167.164  734.129   17.154  722.875   17.086 -0.000000 0.000000 
1 1 1  -16    0   10 o  159.114   5.8527  172.697   12.530  183.036   18.122  163.229   17.342  163.715   8.2158  154.513   8.3378 -0.000000 0.000000 
1 1 1  -16    0   11 o  1110.51   17.683  8388.86  265.701  8611.31  382.376  8181.18  369.471  1124.74   25.116  1096.29   24.899 -0.000000 0.000000 
1 1 1  -16    0   12 o  430.430   8.1555  1258.76   47.491  1243.35   66.853  1274.45   67.476  427.763   11.552  433.096   11.515 -0.000000 0.000000 
1 1 1  -16    0   13 f  364.118   7.4000  900.882   36.442  882.657   51.198  919.597   51.882  360.372   10.504  367.863   10.426 -0.000000 0.000000 
1 1 1  -16    0   14 f  138.662   6.0927  131.766   11.334  133.008   16.464  130.648   15.626  139.253   8.8052  138.071   8.4234 -0.000000 0.000000 
1 1 1  -16    0   15 o  511.014   12.966  1774.18   89.661   0.0000   0.0000  1774.18   89.661  511.014   12.966  511.014   12.966 -0.000000 0.000000 
1 1 1  -16    0   17 o  1608.91   25.213 17657.15  548.955 17287.33  765.223 18049.27  787.956  1591.58   35.519  1626.24   35.794 -0.000000 0.000000 
1 1 1  -16    0   18 o  201.816   6.1300  277.406   16.686  282.933   24.066  272.290   23.155  203.749   8.7529  199.882   8.5844 -0.000000 0.000000 
1 1 1  -16    0   19 o  418.035   8.0453  1187.38   45.499  1184.97   64.457  1189.78   64.236  417.607   11.409  418.463   11.346 -0.000000 0.000000 
1 1 1  -16    0   20 o  247.799   6.3787  417.426   21.344  432.472   30.780  403.489   29.623  252.111   9.0358  243.487   9.0059 -0.000000 0.000000 
1 1 1  -16    0   21 o  287.716   9.4295  562.911   36.676   0.0000   0.0000  562.911   36.676  287.716   9.4295  287.716   9.4295 -0.000000 0.000000 
1 1 1  -16    0   22 o  1240.90   27.770 10483.12  466.448   0.0000   0.0000 10483.12  466.448  1240.90   27.770  1240.90   27.770 -0.000000 0.000000 
1 1 1  -16    0   23 o  486.485   8.9257  1607.83   58.752  1592.03   82.813  1623.83   83.365  484.072   12.644  488.897   12.602 -0.000000 0.000000 
1 1 1  -16    0   24 o  1653.32   25.893 18636.72  579.212 19161.26  834.885 18150.00  804.233  1675.70   36.806  1630.94   36.429 -0.000000 0.000000 
1 1 1  -16    0   25 o  586.202   10.223  2334.61   81.095  2337.79  115.022  2331.46  114.352  586.597   14.490  585.808   14.425 -0.000000 0.000000 
1 1 1  -16    0   26 o  1378.39   21.712 12943.61  405.100 12946.72  573.179 12940.49  572.617  1378.56   30.716  1378.23   30.694 -0.000000 0.000000 
1 1 1  -16    0   27 o  751.088   12.493  3833.70  126.996  3846.22  180.193  3821.35  179.011  752.304   17.697  749.872   17.638 -0.000000 0.000000 
1 1 1  -16    0   28 o  336.725   7.2801  769.662   33.123  731.555   45.924  810.981   47.820  328.020   10.355  345.431   10.236 -0.000000 0.000000 
1 1 1  -16    0   29 o  151.659   9.1513  157.595   18.651  157.595   18.651   0.0000   0.0000  151.659   9.1513  151.659   9.1513 -0.000000 0.000000 
1 1 1  -16    0   30 o  546.917   9.7359  2031.80   72.045  1997.33  100.944  2067.58  102.856  542.182   13.759  551.652   13.778 -0.000000 0.000000 
1 1 1  -16    0   31 o  232.105   6.4628  366.912   20.253  362.410   28.763  371.340   28.523  230.674   9.2351  233.536   9.0434 -0.000000 0.000000 
1 1 1  -16    0   32 o  889.648   14.499  5382.07  174.593  5351.67  246.267  5412.79  247.561  887.118   20.510  892.179   20.501 -0.000000 0.000000 
1 1 1  -16    0   33 o  1175.22   18.700  9405.43  297.472  9406.80  420.898  9404.06  420.480  1175.31   26.457  1175.14   26.434 -0.000000 0.000000 
1 1 1  -16    0   34 o  410.370   8.0857  1144.34   44.880  1153.69   64.084  1135.34   62.874  412.012   11.498  408.729   11.371 -0.000000 0.000000 
1 1 1  -16    0   35 o  945.719   15.319  6085.36  196.086  6093.84  277.980  6076.96  276.640  946.369   21.701  945.069   21.626 -0.000000 0.000000 
1 1 1  -16    0   36 f  419.958   8.2121  1198.75   46.651  1182.63   66.031  1214.82   65.916  417.122   11.703  422.794   11.524 -0.000000 0.000000 
1 1 1  -16    0   37 o  666.474   11.362  3019.63  102.481  2988.94  144.538  3050.66  145.324  663.057   16.108  669.891   16.029 -0.000000 0.000000 
1 1 1  -16    0   38 o  335.694   7.3605  765.758   33.389  780.502   48.264  752.225   46.240  338.785   10.536  332.603   10.281 -0.000000 0.000000 
1 1 1  -16    0   39 o  607.189   10.580  2506.44   86.932  2503.45  123.366  2509.39  122.519  606.820   15.023  607.558   14.901 -0.000000 0.000000 
1 1 1  -16    0   40 o  527.218   9.5500  1889.56   68.126  1879.97   96.617  1899.05   96.075  525.874   13.578  528.561   13.433 -0.000000 0.000000 
1 1 1  -16    0   41 o  1457.65   32.533 14533.51  641.913   0.0000   0.0000 14533.51  641.913  1457.65   32.533  1457.65   32.533 -0.000000 0.000000 
1 1 1  -16    0   42 o  199.214   9.0649  270.747   24.357   0.0000   0.0000  270.747   24.357  199.214   9.0649  199.214   9.0649 -0.000000 0.000000 
1 1 1  -16    0   43 f  302.078   7.1068  620.977   28.995  589.224   40.800  653.380   41.215  294.222   10.261  309.934   9.8354 -0.000000 0.000000 
1 1 1  -16    0   44 o  214.480   6.5878  313.047   19.042  326.952   27.787  300.736   26.146  218.973   9.4035  209.986   9.2289 -0.000000 0.000000 
1 1 1  -16    0   45 o  280.477   6.9483  535.778   26.322  522.379   37.488  548.807   36.968  276.978   10.017  283.976   9.6315 -0.000000 0.000000 
1 1 1  -16    0   46 o  216.747   6.6199  319.711   19.336  333.772   28.245  307.309   26.527  221.232   9.4605  212.262   9.2622 -0.000000 0.000000 
1 1 1  -16    0   47 o  191.563   9.6616  250.812   24.935  250.812   24.935   0.0000   0.0000  191.563   9.6616  191.563   9.6616 -0.000000 0.000000 
1 1 1  -16    0   48 o  277.181   10.007  523.285   37.479  523.285   37.479   0.0000   0.0000  277.181   10.007  277.181   10.007 -0.000000 0.000000 
1 1 1  -16    0   49 f  420.419   8.3016  1202.40   47.200  1217.81   67.682  1187.81   65.858  423.034   11.827  417.805   11.652 -0.000000 0.000000 
1 1 1  -16    0   50 o  433.427   8.4716  1278.31   49.660  1290.53   71.160  1266.70   69.334  435.435   12.081  431.419   11.880 -0.000000 0.000000 
1 1 1  -16    0   51 o  334.469   7.4362  761.351   33.607  768.731   48.509  754.540   46.603  336.007   10.678  332.931   10.352 -0.000000 0.000000 
1 1 1  -16    0   52 o  193.588   6.6344  255.560   17.271  263.711   25.458  248.610   23.508  196.420   9.6169  190.756   9.1419 -0.000000 0.000000 
1 1 1  -16    0   53 o  199.951   6.7037  272.598   18.029  281.144   26.583  265.319   24.533  202.823   9.7225  197.079   9.2322 -0.000000 0.000000 
1 1 1  -16    0   54 o  252.208   6.8162  433.968   23.199  425.099   33.283  442.348   32.353  249.650   9.8732  254.765   9.4002 -0.000000 0.000000 
1 1 1  -16    0   55 o  244.189   6.7825  405.447   22.317  424.925   32.896  388.837   30.378  249.603   9.7593  238.775   9.4215 -0.000000 0.000000 
1 1 1  -16    0   56 o  221.807   6.7107  335.682   20.050  338.661   29.314  333.063   27.484  222.689   9.7564  220.925   9.2167 -0.000000 0.000000 
1 1 1  -16    0   57 o  277.379   7.0123  522.953   26.228  548.442   38.634  501.164   35.720  283.624   10.081  271.133   9.7503 -0.000000 0.000000 
1 1 1  -16    0   58 o  134.767   9.5912  125.202   17.312   0.0000   0.0000  125.202   17.312  134.767   9.5912  134.767   9.5912 -0.000000 0.000000 
1 1 1  -16    0   59 o  241.916   9.3829  399.255   30.655   0.0000   0.0000  399.255   30.655  241.916   9.3829  241.916   9.3829 -0.000000 0.000000 
1 1 1  -16    0   60 o  157.509   6.8644  170.029   14.473  175.232   21.513  165.728   19.562  159.655   10.035  155.363   9.3694 -0.000000 0.000000 
1 1 1  -16    0   61 o  396.841   8.1299  1072.97   43.604  1097.38   63.168  1050.75   60.265  401.126   11.643  392.555   11.350 -0.000000 0.000000 
1 1 1  -16    0   62 o  107.031   8.4202   83.323   11.230   64.226   16.592   99.468   15.256   94.188   13.885  119.873   9.5298 -0.000000 0.000000 
1 1 1  -16    0   63 o   97.568   9.1128   69.510   11.032   58.167   16.356   78.978   14.943   88.925   14.807  106.211   10.626 -0.000000 0.000000 
1 1 1  -16    0   64 o  541.451   14.156  2004.23  103.709  2004.23  103.709   0.0000   0.0000  541.451   14.156  541.451   14.156 -0.000000 0.000000 
1 1 1  -16    0   65 o  415.885   8.4308  1180.55   47.400  1189.15   68.278  1172.56   65.855  417.303   12.097  414.468   11.746 -0.000000 0.000000 
1 1 1  -16    0   66 o  271.387   7.1528  500.994   26.159  532.219   38.682  474.681   35.509  279.149   10.257  263.625   9.9721 -0.000000 0.000000 
1 1 1  -16    0   67 o  311.971   7.4194  663.569   31.243  682.279   45.625  647.048   42.873  316.077   10.679  307.865   10.302 -0.000000 0.000000 
1 1 1  -16    0   68 o  265.813   7.2269  476.250   25.760  545.101   39.327  424.515   34.091  282.460   10.305  249.166   10.134 -0.000000 0.000000 
1 1 1  -16    0   69 o  120.119   8.0802  100.770   12.794  102.210   19.264   99.634   17.112  120.691   12.054  119.546   10.764 -0.000000 0.000000 
1 1 1  -16    0   70 o  178.422   7.2954  220.557   17.351  200.976   25.449  237.566   23.718  170.684   11.111  186.159   9.4576 -0.000000 0.000000 
1 1 1  -16    0   71 o   46.618   14.607   21.695   9.8278   19.298   15.221   23.409   12.870   43.540   21.504   49.697   19.776 -0.000000 0.000000 
1 1 1  -16    0   72 o  511.493   9.6269  1791.57   66.566  1832.33   96.504  1754.56   91.939  516.971   13.797  506.016   13.429 -0.000000 0.000000 
1 1 1  -16    0   73 o  153.191   9.9509  161.864   20.458   0.0000   0.0000  161.864   20.458  153.191   9.9509  153.191   9.9509 -0.000000 0.000000 
1 1 1  -16    0   74 o  157.261   10.019  170.593   21.153   0.0000   0.0000  170.593   21.153  157.261   10.019  157.261   10.019 -0.000000 0.000000 
1 1 1  -16    0   75 o  396.936   8.3329  1078.82   44.682  1106.12   65.066  1054.45   61.466  401.619   11.979  392.254   11.586 -0.000000 0.000000 
1 1 1  -16    0   76 o  120.058   8.4027  102.840   13.082   87.899   19.091  116.065   17.962  110.972   13.185  129.143   10.420 -0.000000 0.000000 
1 1 1  -16    0   77 o  254.060   7.2120  442.866   24.699  447.276   36.044  438.962   33.912  255.170   10.464  252.949   9.9280 -0.000000 0.000000 
1 1 1  -16    0   78 o  138.019   11.391  133.148   20.972  133.148   20.972   0.0000   0.0000  138.019   11.391  138.019   11.391 -0.000000 0.000000 
1 1 1  -16    0   79 o  187.406   10.633  242.908   26.805  242.908   26.805   0.0000   0.0000  187.406   10.633  187.406   10.633 -0.000000 0.000000 
1 1 1  -16    0   80 o   77.076   11.884   45.929   10.673   62.465   16.246   33.374   14.156   92.168   13.954   61.983   19.241 -0.000000 0.000000 
1 1 1  -16    0   81 o  221.229   7.1206  336.541   21.193  355.133   31.358  320.909   28.754  226.793   10.251  215.665   9.8859 -0.000000 0.000000 
1 1 1  -16    0   82 o   86.927   10.341   57.604   10.721   46.755   15.518   67.510   14.828   76.945   17.019   96.909   11.751 -0.000000 0.000000 
1 1 1  -16    0   83 o  114.244   8.0340   92.524   12.124   95.222   17.892   90.233   16.487  115.670   11.688  112.819   11.026 -0.000000 0.000000 
1 1 1  -16    0   84 o  136.040   7.5125  129.929   13.597  131.207   20.201  128.870   18.386  136.443   11.094  135.638   10.133 -0.000000 0.000000 
1 1 1  -16    0   85 o   34.135   11.427   8.1290   8.2938  -8.4850   12.180   22.491   11.325   19.725   13.610   48.544   18.360 -0.000000 0.000000 
1 1 1  -16    0   86 o   42.109   18.917   18.419   11.538   0.0000   0.0000   18.419   11.538   42.109   18.917   42.109   18.917 -0.000000 0.000000 
1 1 1  -16    0   87 o   63.441   16.835   33.759   12.505   0.0000   0.0000   33.759   12.505   63.441   16.835   63.441   16.835 -0.000000 0.000000 
1 1 1  -16    0   88 o   52.891   18.384   26.096   11.901   0.0000   0.0000   26.096   11.901   52.891   18.384   52.891   18.384 -0.000000 0.000000 
1 1 1  -16    0   89 o  223.959   9.7415  350.772   29.438   0.0000   0.0000  350.772   29.438  223.959   9.7415  223.959   9.7415 -0.000000 0.000000 
1 1 1  -16    0   90 o   32.483   17.754   11.365   11.144   0.0000   0.0000   11.365   11.144   32.483   17.754   32.483   17.754 -0.000000 0.000000 
1 1 1  -16    1    1 o  1234.36   13.762 10359.44  230.197 10406.41  326.711 10313.12  324.396  1237.13   19.488  1231.59   19.437 5.546753 27.52402 
1 1 1  -16    1    2 o  1678.57   21.435 19050.56  418.004 18859.31  479.370 19657.37  853.882  1664.83   21.248  1692.32   37.233 -27.49060 42.86967 
1 1 1  -16    1    3 o  947.119   12.456  6184.31  140.113  6282.96  163.495  5911.53  271.882  962.234   12.538  932.003   21.527 30.23096 24.91214 
1 1 1  -16    1    4 o  1265.22   16.298 10898.71  241.890 10895.61  279.320 10908.00  483.729  1266.47   16.275  1263.96   28.241 2.510498 32.59526 
1 1 1  -16    1    5 o  369.658   5.2123  926.331   26.110  919.365   36.798  933.393   37.053  368.258   7.3737  371.057   7.3688 -2.799164 10.42456 
1 1 1  -16    1    6 o  1440.54   15.966 14128.41  311.648 14317.86  444.757 13945.65  436.824  1450.01   22.634  1431.07   22.525 18.93677 31.93256 
1 1 1  -16    1    7 o  1546.65   21.021 16242.92  412.780 16046.05  501.247 16657.74  727.613  1534.48   24.105  1558.82   34.445 -24.33472 42.04154 
1 1 1  -16    1    8 o  762.707   10.886  3917.24  105.391  3856.47  127.802  4046.41  186.315  753.844   12.510  771.570   17.819 -17.72620 21.77242 
1 1 1  -16    1    9 o  1527.56   23.910 15900.26  494.957 15900.26  494.957   0.0000   0.0000  1527.56   23.910  ?   ?       ?      ? 
1 1 1  -16    1   10 o  1469.22   20.005 14818.18  377.163 14985.75  465.558 14498.18  643.349  1483.27   23.162  1455.18   32.625 28.08423 40.01046 
1 1 1  -16    1   11 o  360.264   7.2799  879.558   35.525  910.281   51.124  850.872   49.401  366.342   10.298  354.186   10.293 12.15613 14.55975 
1 1 1  -16    1   12 o  1298.72   17.755 11536.88  295.406 11376.53  506.732 11619.43  363.577  1290.56   28.975  1306.88   20.529 -16.31702 35.51028 
1 1 1  -16    1   13 o  962.721   10.933  6294.06  142.627  6323.50  202.344  6264.98  201.071  964.957   15.474  960.485   15.448 4.472351 21.86518 
1 1 1  -16    1   14 o  1717.13   18.973 20101.81  441.361 19667.67  614.705 20563.78  634.105  1698.06   26.714  1736.21   26.951 -38.15015 37.94701 
1 1 1  -16    1   15 o  1268.56   14.162 10942.83  243.447 11042.95  346.687 10845.43  341.935  1274.27   20.077  1262.85   19.981 11.42542 28.32496 
1 1 1  -16    1   16 o  727.264   8.5461  3588.19   84.222  3553.67  118.428  3623.52  119.800  723.726   12.075  730.803   12.097 -7.076782 17.09229 
1 1 1  -16    1   17 o  1486.38   16.470 15042.26  331.754 15003.44  468.362 15081.36  469.984  1484.46   23.283  1488.30   23.303 -3.843384 32.94081 
1 1 1  -16    1   18 o  441.802   5.8823  1323.34   35.217  1325.33   49.908  1321.36   49.701  442.132   8.3299  441.471   8.3077 0.6606140 11.76457 
1 1 1  -16    1   19 o  974.230   13.545  6425.65  168.136  6376.06  205.021  6527.51  293.825  969.034   15.613  979.427   22.138 -10.39276 27.08942 
1 1 1  -16    1   20 o  617.135   10.623  2567.41   88.522  2362.24  119.278  2818.96  132.075  589.889   14.921  644.380   15.125 -54.49066 21.24645 
1 1 1  -16    1   21 o  764.014   11.008  4004.59  108.314  4101.08  134.646  3827.65  182.334  777.448   12.780  750.580   17.926 26.86786 22.01549 
1 1 1  -16    1   22 o  899.095   12.626  5485.54  144.856  5511.30  251.739  5472.79  177.116  900.266   20.635  897.924   14.556 2.341797 25.25191 
1 1 1  -16    1   23 o  748.781   10.764  3814.80  103.110  3780.56  177.684  3832.19  126.608  745.999   17.576  751.563   12.431 -5.563782 21.52819 
1 1 1  -16    1   24 o  1174.28   13.154  9370.20  209.319  9338.48  295.361  9402.20  296.686  1172.28   18.593  1176.27   18.613 -3.989380 26.30793 
1 1 1  -16    1   25 o  409.687   5.6374  1137.84   31.298  1131.70   44.159  1144.04   44.365  408.577   7.9755  410.798   7.9695 -2.220612 11.27484 
1 1 1  -16    1   26 o  565.897   7.0231  2171.60   53.858  2160.23   75.955  2183.09   76.379  564.408   9.9308  567.386   9.9337 -2.978271 14.04628 
1 1 1  -16    1   27 o  874.678   12.312  5156.01  136.753  5314.84  241.413  5080.96  165.945  884.136   20.149  865.220   14.153 18.91620 24.62329 
1 1 1  -16    1   28 o  1391.70   18.981 13194.26  337.155 13237.69  585.212 13172.67  412.491  1391.97   31.024  1391.44   21.876 0.5312500 37.96136 
1 1 1  -16    1   29 o  729.592   10.594  3656.30   99.524  3755.68  123.797  3474.72  167.346  744.010   12.279  715.175   17.267 28.83484 21.18768 
1 1 1  -16    1   30 o  256.721   5.7331  445.022   18.706  441.676   22.752  452.002   32.860  255.264   6.5773  258.178   9.3921 -2.914017 11.46617 
1 1 1  -16    1   31 o  1007.46   11.430  6894.08  156.044  6893.85  220.675  6894.30  220.683  1007.45   16.164  1007.48   16.164 -0.3271484E-01 22.85933 
1 1 1  -16    1   32 o  258.709   4.6684  453.601   16.363  440.864   22.979  466.704   23.307  255.025   6.6492  262.393   6.5547 -7.368881 9.336827 
1 1 1  -16    1   33 o  370.491   5.3862  930.586   27.042  925.109   38.132  936.127   38.355  369.395   7.6176  371.588   7.6170 -2.193237 10.77247 
1 1 1  -16    1   34 o  927.988   10.621  5849.04  133.561  5867.54  189.284  5830.69  188.485  929.449   15.028  926.528   15.012 2.921265 21.24156 
1 1 1  -16    1   35 o  319.000   5.0468  689.787   21.815  700.215   31.074  679.652   30.633  321.377   7.1351  316.623   7.1395 4.754303 10.09364 
1 1 1  -16    1   36 o  675.946   8.1086  3100.65   74.274  3108.88  105.247  3092.49  104.833  676.839   11.475  675.054   11.460 1.784485 16.21718 
1 1 1  -16    1   37 o  603.612   7.4200  2471.97   60.692  2491.86   86.252  2452.47   85.418  606.016   10.503  601.209   10.484 4.807861 14.84008 
1 1 1  -16    1   38 o  414.860   5.7628  1167.17   32.398  1161.32   45.732  1173.07   45.903  413.815   8.1551  415.905   8.1445 -2.090027 11.52557 
1 1 1  -16    1   39 o  430.342   5.8849  1255.91   34.318  1268.68   48.794  1243.41   48.276  432.506   8.3251  428.177   8.3200 4.329224 11.76985 
1 1 1  -16    1   40 o  272.508   5.8140  502.822   20.388  501.002   25.138  506.321   34.855  271.830   6.8240  273.186   9.4150 -1.356354 11.62800 
1 1 1  -16    1   41 o  794.925   13.146  4303.45  141.594  4364.66  202.219  4244.57  198.326  800.458   18.642  789.393   18.540 11.06549 26.29179 
1 1 1  -16    1   42 o  431.525   7.2215  1264.42   39.877  1262.30   68.808  1265.50   48.933  431.130   11.777  431.920   8.3601 -0.7903137 14.44291 
1 1 1  -16    1   43 o  713.523   8.5001  3458.47   82.189  3460.92  116.332  3456.02  116.135  713.774   12.027  713.271   12.015 0.5034790 17.00028 
1 1 1  -16    1   44 o  747.320   8.8445  3795.00   89.564  3748.17  125.772  3843.17  127.572  742.646   12.497  751.994   12.519 -9.348389 17.68904 
1 1 1  -16    1   45 o  1020.82   11.633  7100.63  160.927  7102.72  227.661  7098.55  227.509  1020.96   16.455  1020.67   16.449 0.2973633 23.26636 
1 1 1  -16    1   46 o  192.661   4.6400  251.734   12.114  248.695   17.070  254.818   17.193  191.489   6.5782  193.833   6.5456 -2.344223 9.279955 
1 1 1  -16    1   47 f  229.547   6.8254  356.060   21.170  322.183   28.887  395.369   31.116  217.803   9.7870  241.292   9.5162 -23.48842 13.65073 
1 1 1  -16    1   48 o  729.906   12.373  3638.63  122.368  3693.85  174.551  3585.27  171.595  735.343   17.517  724.468   17.478 10.87518 24.74529 
1 1 1  -16    1   49 o  719.945   8.5990  3526.80   83.892  3500.31  118.118  3553.76  119.172  717.220   12.153  722.671   12.169 -5.451294 17.19809 
1 1 1  -16    1   50 o  332.887   5.2253  751.966   23.569  766.951   33.583  737.424   33.085  336.155   7.3723  329.618   7.4070 6.536987 10.45053 
1 1 1  -16    1   51 o  420.687   5.8699  1201.86   33.463  1211.17   47.503  1192.69   47.146  422.303   8.3008  419.070   8.3019 3.232880 11.73986 
1 1 1  -16    1   52 o  353.306   5.3665  847.521   25.694  850.436   36.388  844.622   36.285  353.913   7.5872  352.700   7.5917 1.212189 10.73310 
1 1 1  -16    1   53 o  221.218   4.6930  332.012   14.063  345.502   20.089  319.048   19.694  225.626   6.5702  216.809   6.7030 8.816879 9.386010 
1 1 1  -16    1   54 o  242.577   4.7732  399.445   15.691  398.706   22.167  400.188   22.213  242.352   6.7496  242.802   6.7510 -0.4498749 9.546399 
1 1 1  -16    1   55 o  172.407   4.7025  201.697   10.979  212.319   15.696  191.521   15.363  176.855   6.5492  167.960   6.7499 8.895004 9.404999 
1 1 1  -16    1   56 o  166.032   4.7233  187.115   10.624  193.919   15.147  180.528   14.904  169.005   6.6139  163.059   6.7449 5.946091 9.446561 
1 1 1  -16    1   57 o  338.358   5.3003  777.808   24.303  783.093   34.493  772.599   34.246  339.499   7.4975  337.217   7.4940 2.281982 10.60058 
1 1 1  -16    1   58 o  245.298   6.6574  408.751   22.096  378.075   30.574  442.288   31.968  235.664   9.5736  254.932   9.2536 -19.26761 13.31480 
1 1 1  -16    1   59 o  365.364   5.5319  906.915   27.380  937.901   39.264  877.584   38.201  371.439   7.8006  359.290   7.8459 12.14902 11.06381 
1 1 1  -16    1   60 o  410.941   5.8384  1148.65   32.513  1140.96   45.841  1156.43   46.120  409.557   8.2595  412.324   8.2541 -2.767303 11.67686 
1 1 1  -16    1   61 o  239.746   4.8177  390.511   15.652  395.371   22.241  385.744   22.030  241.225   6.8037  238.268   6.8229 2.956833 9.635468 
1 1 1  -16    1   62 o  364.240   5.5048  902.385   27.171  903.196   38.433  901.573   38.419  364.405   7.7828  364.076   7.7871 0.3283997 11.00959 
1 1 1  -16    1   63 o  185.121   4.8217  232.927   12.094  233.465   16.969  232.371   17.241  185.343   6.7562  184.898   6.8811 0.4452362 9.643456 
1 1 1  -16    1   64 o  167.862   7.2105  192.262   16.399  190.135   22.922  194.492   23.471  166.919   10.134  168.805   10.260 -1.886215 14.42104 
1 1 1  -16    1   65 o  334.780   5.3554  762.541   24.295  769.387   34.502  755.807   34.218  336.271   7.5712  333.289   7.5762 2.981842 10.71083 
1 1 1  -16    1   66 o  202.790   4.8478  279.421   13.313  264.897   18.568  294.782   19.096  197.363   6.9426  208.217   6.7679 -10.85449 9.695552 
1 1 1  -16    1   67 f  159.759   5.0008  173.609   10.825  177.569   15.384  169.725   15.235  161.568   7.0263  157.951   7.1179 3.617203 10.00165 
1 1 1  -16    1   68 o  224.377   4.9860  342.533   15.160  338.090   21.410  347.000   21.468  222.913   7.0876  225.841   7.0146 -2.927780 9.971916 
1 1 1  -16    1   69 o  318.435   5.2973  690.391   22.858  696.576   32.387  684.252   32.267  319.860   7.4718  317.009   7.5111 2.850189 10.59452 
1 1 1  -16    1   70 o  115.046   5.6576   90.211   8.8143   85.910   12.403   94.600   12.528  112.262   8.1532  117.830   7.8460 -5.567436 11.31522 
1 1 1  -16    1   71 o  401.104   5.8585  1097.33   31.844  1094.24   45.027  1100.42   45.041  400.537   8.2955  401.672   8.2747 -1.134979 11.71695 
1 1 1  -16    1   72 o  157.112   5.1529  167.933   10.927  189.617   15.789  148.001   15.137  166.867   6.9821  147.357   7.5803 19.51009 10.30585 
1 1 1  -16    1   73 o  351.484   7.7044  848.144   36.697  852.191   51.966  844.119   51.828  352.325   10.884  350.643   10.907 1.682343 15.40886 
1 1 1  -16    1   74 o  150.990   6.2281  156.822   12.165  159.021   15.164  152.852   20.376  152.701   7.3282  149.280   10.073 3.420395 12.45627 
1 1 1  -16    1   75 o  169.946   5.0379  197.009   11.602  194.218   16.352  199.838   16.463  168.730   7.1514  171.162   7.0979 -2.432327 10.07582 
1 1 1  -16    1   76 o  136.570   5.3438  127.354   9.8750  117.951   13.775  137.295   14.163  131.360   7.7385  141.780   7.3717 -10.42017 10.68769 
1 1 1  -16    1   77 o   63.787   8.5679   29.122   7.1332   27.627   10.094   30.612   10.082   62.035   12.440   65.540   11.785 -3.504562 17.13573 
1 1 1  -16    1   78 o  169.509   6.5357  204.107   13.991  217.416   17.284  178.814   23.827  178.304   7.1533  160.714   10.940 17.58969 13.07141 
1 1 1  -16    1   79 o  293.788   6.5872  600.662   24.605  578.318   42.513  611.917   30.172  288.729   10.865  298.847   7.4503 -10.11835 13.17441 
1 1 1  -16    1   80 o   93.880   6.1835   60.824   7.8407   66.885   11.147   54.889   11.031   98.586   8.3436   89.174   9.1284 9.412460 12.36698 
1 1 1  -16    1   81 o  168.359   4.9966  194.458   11.388  182.896   15.988  206.365   16.224  163.232   7.2277  173.487   6.9011 -10.25571 9.993264 
1 1 1  -16    1   82 o  156.862   5.1019  168.564   10.781  195.568   15.724  144.606   14.811  168.782   6.8745  144.943   7.5403 23.83888 10.20373 
1 1 1  -16    1   83 o  255.886   5.0658  450.351   17.558  467.441   25.251  434.352   24.431  260.590   7.1506  251.182   7.1775 9.407379 10.13156 
1 1 1  -16    1   84 o   82.806   6.4331   47.763   7.2156   48.731   10.392   46.862   10.026   83.596   9.1735   82.016   9.0213 1.579857 12.86611 
1 1 1  -16    1   85 o   90.893   6.1635   57.527   7.5446   66.496   10.923   49.345   10.433   97.796   8.2421   83.991   9.1664 13.80418 12.32702 
1 1 1  -16    1   86 o  129.975   6.2700  116.386   10.534  124.744   18.051  112.070   12.972  132.869   10.025  127.081   7.5328 5.788857 12.53998 
1 1 1  -16    1   87 o   60.003   9.9453   27.023   8.7665   11.948   12.154   43.371   12.657   42.612   15.811   77.394   12.068 -34.78170 19.89056 
1 1 1  -16    1   88 o   87.464   8.6078   56.050   10.104   47.556   14.250   64.638   14.328   80.276   13.099   94.652   11.171 -14.37585 17.21558 
1 1 1  -16    1   89 o   82.098   8.6327   49.550   9.5749   45.047   13.444   54.185   13.640   78.041   12.713   86.155   11.683 -8.114113 17.26540 
1 1 1  -16    1   90 o   48.605   16.320   18.571   12.687   18.571   12.687   0.0000   0.0000   48.605   16.320  ?   ?       ?      ? 
1 1 1  -16    2    1 o  368.605   6.3290  915.407   29.986  903.063   36.836  939.656   51.628  364.986   7.4475  372.225   10.235 -7.240021 12.65802 
1 1 1  -16    2    2 o  569.260   8.5084  2162.76   61.474  2099.53   74.306  2299.89  109.433  556.412   9.8547  582.107   13.873 -25.69562 17.01674 
1 1 1  -16    2    3 o  1406.25   18.020 13354.90  294.980 13238.91  338.658 13719.58  600.485  1395.79   17.904  1416.70   31.278 -20.91370 36.04001 
1 1 1  -16    2    4 o  431.186   6.5280  1231.60   32.878  1204.42   37.679  1318.34   67.312  421.527   6.5961  440.844   11.267 -19.31689 13.05608 
1 1 1  -16    2    5 o  629.133   8.7010  2676.66   64.347  2667.69   74.306  2703.58  128.669  627.247   8.7419  631.019   15.047 -3.771423 17.40209 
1 1 1  -16    2    6 o  158.573   5.5646  170.239   11.949  177.908   17.274  163.201   16.547  161.994   7.8688  155.153   7.8702 6.840256 11.12915 
1 1 1  -16    2    7 o  586.201   8.7275  2298.57   64.833  2424.30  115.542  2240.79   78.326  597.596   14.268  574.805   10.056 22.79120 17.45500 
1 1 1  -16    2    8 o  549.697   6.8005  2048.03   50.644  2098.61   72.666  2000.27   70.619  556.292   9.6394  543.103   9.5953 13.18872 13.60097 
1 1 1  -16    2    9 o  582.474   7.1306  2300.43   56.277  2263.76   78.839  2338.51   80.357  577.744   10.070  587.203   10.098 -9.459534 14.26112 
1 1 1  -16    2   10 o  157.092   5.1260  165.688   10.189  162.896   12.316  171.744   18.139  155.028   5.8626  159.156   8.4102 -4.127762 10.25190 
1 1 1  -16    2   11 o  609.248   9.0773  2535.52   70.889  2571.34   87.437  2466.83  121.096  615.722   10.479  602.775   14.825 12.94653 18.15462 
1 1 1  -16    2   12 o  428.842   5.7316  1246.11   33.299  1210.29   46.471  1283.92   47.738  422.510   8.1163  435.174   8.0950 -12.66394 11.46314 
1 1 1  -16    2   13 o  1409.82   15.644 13525.24  298.859 13375.34  419.593 13679.59  425.777  1401.91   22.086  1417.74   22.162 -15.83374 31.28819 
1 1 1  -16    2   14 o  577.942   7.0924  2265.23   55.547  2260.29   78.509  2270.18   78.602  577.311   10.035  578.574   10.025 -1.262817 14.18488 
1 1 1  -16    2   15 o  367.835   6.3846  920.939   30.212  928.730   37.350  906.192   51.384  370.136   7.4463  365.533   10.373 4.603424 12.76924 
1 1 1  -16    2   16 o  692.219   10.020  3245.15   88.627  3230.72  108.453  3274.17  153.769  690.108   11.597  694.329   16.343 -4.221191 20.03913 
1 1 1  -16    2   17 o  1126.40   15.492  8575.78  221.895  8469.86  269.763  8797.39  390.191  1116.51   17.829  1136.30   25.340 -19.78589 30.98375 
1 1 1  -16    2   18 o  199.861   4.2979  270.754   11.640  268.027   16.490  273.462   16.432  198.858   6.1192  200.865   6.0366 -2.006927 8.595716 
1 1 1  -16    2   19 o  424.839   5.7436  1223.45   33.065  1238.88   47.102  1208.46   46.426  427.480   8.1310  422.199   8.1145 5.280914 11.48729 
1 1 1  -16    2   20 f  529.058   6.6582  1897.73   47.733  1918.76   67.964  1877.25   67.054  531.950   9.4282  526.165   9.4042 5.784851 13.31648 
1 1 1  -16    2   21 o  714.570   8.4359  3463.48   81.683  3500.76  116.323  3427.21  114.728  718.362   11.949  710.778   11.911 7.583374 16.87180 
1 1 1  -16    2   22 o  313.329   4.9010  665.065   20.803  687.173   29.824  644.115   29.032  318.398   6.9122  308.260   6.9498 10.13745 9.801997 
1 1 1  -16    2   23 o  214.286   5.4370  313.382   14.782  305.269   25.779  317.357   18.043  212.187   8.9654  216.386   6.1533 -4.198883 10.87391 
1 1 1  -16    2   24 o  508.133   7.9574  1752.58   51.612  1747.60   89.485  1755.07   63.180  507.500   13.012  508.766   9.1638 -1.266052 15.91471 
1 1 1  -16    2   25 o  317.697   10.055  684.464   43.289   0.0000   0.0000  684.464   43.289  ?   ?   317.697   10.055      ?      ? 
1 1 1  -16    2   26 o  758.946   12.610  3908.26  129.604  4062.55  187.468  3767.01  179.374  773.269   17.890  744.624   17.776 28.64514 25.22006 
1 1 1  -16    2   27 o  229.304   4.5326  355.651   14.070  376.368   20.432  336.967   19.404  235.642   6.3984  222.967   6.4218 12.67557 9.065274 
1 1 1  -16    2   28 o  863.388   9.9449  5058.91  116.346  5120.17  165.873  4999.57  163.236  868.530   14.093  858.246   14.035 10.28351 19.88987 
1 1 1  -16    2   29 o  478.601   6.2403  1553.13   40.472  1550.33   57.213  1555.93   57.260  478.170   8.8294  479.033   8.8207 -0.8632202 12.48053 
1 1 1  -16    2   30 o  463.345   7.5449  1462.98   44.670  1476.79   54.851  1435.77   76.974  466.692   8.6731  459.998   12.348 6.693542 15.08981 
1 1 1  -16    2   31 o  230.182   4.5776  359.174   14.278  364.327   20.176  354.005   20.208  231.837   6.4219  228.527   6.5253 3.309464 9.155283 
1 1 1  -16    2   32 o  790.314   9.2249  4239.38   98.797  4228.70  139.465  4250.13  139.976  789.316   13.039  791.312   13.053 -1.995728 18.44987 
1 1 1  -16    2   33 o  859.521   9.9255  5015.74  115.603  5065.32  164.520  4967.39  162.473  863.714   14.056  855.329   14.017 8.385437 19.85102 
1 1 1  -16    2   34 o  901.440   10.355  5518.98  126.492  5542.54  179.366  5495.68  178.410  903.351   14.652  899.528   14.636 3.823792 20.70983 
1 1 1  -16    2   35 o  201.342   4.5282  274.808   12.355  274.701   17.537  274.914   17.408  201.302   6.4289  201.381   6.3788 -0.7873535E-01 9.056471 
1 1 1  -16    2   36 o  786.699   9.1944  4202.23   98.020  4202.60  138.647  4201.87  138.595  786.733   13.005  786.665   13.001 0.6793213E-01 18.38881 
1 1 1  -16    2   37 o  242.304   4.6529  398.021   15.277  402.355   21.672  393.740   21.540  243.616   6.5646  240.993   6.5956 2.623077 9.305735 
1 1 1  -16    2   38 o  871.275   10.059  5157.45  118.763  5199.57  168.856  5116.22  167.070  874.792   14.244  867.759   14.207 7.033447 20.11820 
1 1 1  -16    2   39 f  401.294   6.8666  1093.08   35.395  1094.11   43.605  1091.08   60.604  401.659   8.0112  400.930   11.154 0.7290649 13.73320 
1 1 1  -16    2   40 o  704.494   10.268  3377.64   92.659  3386.18  113.868  3360.91  159.419  706.180   11.899  702.807   16.739 3.372375 20.53693 
1 1 1  -16    2   41 o  271.818   5.8791  499.148   20.411  507.241   35.511  495.155   24.943  273.407   9.5845  270.229   6.8113 3.178040 11.75829 
1 1 1  -16    2   42 o  179.242   5.6946  221.403   13.042  207.264   22.191  228.863   16.119  174.765   9.3700  183.719   6.4745 -8.953445 11.38927 
1 1 1  -16    2   43 o  892.981   10.305  5423.38  124.688  5501.24  177.917  5348.24  174.796  899.272   14.600  886.691   14.547 12.58130 20.60994 
1 1 1  -16    2   44 o  291.888   4.9406  577.749   19.541  586.514   27.844  569.242   27.431  294.069   6.9870  289.706   6.9871 4.362549 9.881223 
1 1 1  -16    2   45 o  247.277   4.7532  414.424   15.922  428.748   22.853  400.913   22.195  251.426   6.7075  243.127   6.7366 8.299484 9.506400 
1 1 1  -16    2   46 o  333.695   6.3640  748.247   26.965  777.852   47.711  734.352   32.686  338.388   10.404  329.002   7.3314 9.385620 12.72798 
1 1 1  -16    2   47 o  319.013   7.3194  691.456   31.639  691.266   44.427  691.652   45.068  318.975   10.278  319.052   10.424 -0.7681274E-01 14.63872 
1 1 1  -16    2   48 o  321.394   6.3541  700.760   25.934  699.457   31.567  703.466   45.488  321.060   7.2555  321.727   10.433 -0.6673889 12.70825 
1 1 1  -16    2   49 o  542.895   6.9064  2001.96   50.800  2046.43   72.706  1959.55   71.007  548.781   9.7767  537.008   9.7574 11.77264 13.81272 
1 1 1  -16    2   50 o  434.401   5.9784  1281.08   35.187  1253.11   49.216  1310.33   50.325  429.552   8.4549  439.251   8.4546 -9.698944 11.95680 
1 1 1  -16    2   51 f  391.152   5.6462  1038.97   29.928  1035.44   42.278  1042.52   42.372  390.485   7.9897  391.819   7.9801 -1.334045 11.29241 
1 1 1  -16    2   52 o  373.931   5.5283  949.477   28.012  960.398   39.816  938.773   39.418  376.061   7.8130  371.802   7.8235 4.259125 11.05669 
1 1 1  -16    2   53 o  630.099   7.7486  2702.74   66.161  2722.07   93.953  2683.73   93.184  632.332   10.964  627.866   10.952 4.465271 15.49717 
1 1 1  -16    2   54 o  311.182   5.1149  657.554   21.569  659.661   30.533  655.456   30.473  311.680   7.2291  310.684   7.2380 0.9957275 10.22975 
1 1 1  -16    2   55 o  185.290   4.6892  233.088   11.774  232.311   16.731  233.850   16.570  184.982   6.6745  185.598   6.5884 -0.6163635 9.378426 
1 1 1  -16    2   56 o  239.372   4.7729  389.046   15.482  383.854   21.802  394.326   21.988  237.760   6.7668  240.984   6.7330 -3.223892 9.545821 
1 1 1  -16    2   57 o  491.103   6.5069  1640.75   43.300  1616.25   60.747  1666.06   61.736  487.378   9.1977  494.829   9.2066 -7.450195 13.01379 
1 1 1  -16    2   58 o  347.151   7.4857  821.360   35.213  822.463   50.112  820.286   49.491  347.370   10.646  346.933   10.527 0.4372864 14.97147 
1 1 1  -16    2   59 o  232.171   4.8112  366.176   15.137  367.820   21.372  364.522   21.441  232.696   6.7776  231.646   6.8303 1.050339 9.622362 
1 1 1  -16    2   60 o  281.566   5.0022  538.740   19.086  542.696   27.027  534.803   26.957  282.599   7.0574  280.533   7.0910 2.066528 10.00442 
1 1 1  -16    2   61 o  234.197   4.8384  372.688   15.355  370.976   21.612  374.434   21.821  233.655   6.8255  234.738   6.8596 -1.083069 9.676837 
1 1 1  -16    2   62 o  389.341   5.7128  1030.58   30.129  1067.77   43.309  995.709   41.941  396.143   8.0676  382.538   8.0907 13.60602 11.42568 
1 1 1  -16    2   63 o  187.169   7.1206  239.026   18.052  240.027   25.182  237.967   25.893  187.593   9.9059  186.745   10.232 0.8481140 14.24127 
1 1 1  -16    2   64 o  201.516   7.0851  277.255   19.337  286.657   27.253  267.724   27.440  204.987   9.8109  198.044   10.225 6.942734 14.17025 
1 1 1  -16    2   65 o  114.787   5.4717   89.665   8.5110   88.779   11.969   90.572   12.105  114.213   7.7333  115.360   7.7431 -1.147041 10.94345 
1 1 1  -16    2   66 o  134.509   5.1486  123.093   9.3845  123.013   13.220  123.175   13.324  134.467   7.2549  134.551   7.3074 -0.8450317E-01 10.29718 
1 1 1  -16    2   67 o  180.442   4.9739  221.482   12.160  215.738   17.122  227.327   17.273  178.076   7.0953  182.809   6.9726 -4.733093 9.947864 
1 1 1  -16    2   68 o  272.302   5.0741  504.554   18.722  496.082   26.374  513.161   26.583  269.992   7.2083  274.611   7.1433 -4.619232 10.14824 
1 1 1  -16    2   69 o  324.116   5.3113  715.227   23.327  704.017   32.769  726.744   33.213  321.540   7.5205  326.693   7.5021 -5.152740 10.62261 
1 1 1  -16    2   70 o  284.047   5.0937  549.307   19.606  544.973   27.672  553.676   27.784  282.920   7.2176  285.175   7.1894 -2.255280 10.18732 
1 1 1  -16    2   71 o  151.614   5.1167  156.557   10.512  157.238   14.862  155.876   14.872  151.946   7.2178  151.282   7.2542 0.6634064 10.23332 
1 1 1  -16    2   72 o  435.816   6.1732  1296.71   36.450  1329.72   52.214  1265.33   50.906  441.222   8.7326  430.409   8.7279 10.81320 12.34644 
1 1 1  -16    2   73 o  213.338   6.8138  310.962   19.652  282.060   27.159  342.722   28.470  202.900   9.8775  223.776   9.3885 -20.87625 13.62752 
1 1 1  -16    2   74 o  110.969   6.8776   86.036   9.8350   90.101   12.324   78.907   16.321  114.867   7.9172  107.071   11.248 7.795578 13.75516 
1 1 1  -16    2   75 o   95.463   6.1667   62.392   7.9646   67.206   11.374   57.760   11.156   99.105   8.4691   91.822   8.9659 7.282883 12.33341 
1 1 1  -16    2   76 f  182.486   4.9796  227.253   12.312  221.167   17.229  233.604   17.599  179.986   7.0638  184.986   7.0206 -5.000046 9.959222 
1 1 1  -16    2   77 o   84.413   6.7101   49.032   7.6657   45.921   10.787   52.207   10.896   81.671   9.7462   87.154   9.2256 -5.482826 13.42019 
1 1 1  -16    2   78 o  266.038   6.4137  488.365   21.764  491.231   26.675  482.658   37.641  267.904   7.3475  264.172   10.515 3.732117 12.82745 
1 1 1  -16    2   79 o   97.229   7.6895   60.557   9.4447   80.137   17.606   52.646   11.191  107.122   12.128   87.336   9.4558 19.78572 15.37898 
1 1 1  -16    2   80 o   87.628   6.3365   52.931   7.5125   57.263   10.817   48.895   10.442   91.123   8.7596   84.133   9.1584 6.989594 12.67307 
1 1 1  -16    2   81 o   77.836   6.7613   42.016   7.0697   49.553   10.216   35.089   9.7939   84.654   8.9049   71.018   10.177 13.63601 13.52264 
1 1 1  -16    2   82 o  160.284   5.0275  176.374   10.904  190.069   15.710  163.641   15.148  166.325   6.9698  154.243   7.2473 12.08241 10.05491 
1 1 1  -16    2   83 o   75.787   7.3740   41.425   7.0882   28.662   9.9077   54.807   10.145   62.642   12.109   88.931   8.4182 -26.28838 14.74805 
1 1 1  -16    2   84 o   96.640   5.9827   64.901   7.8225   60.239   10.971   69.723   11.157   93.040   8.7013  100.241   8.2134 -7.200996 11.96549 
1 1 1  -16    2   85 o   40.805   10.747   10.311   7.9583   11.211   11.370   9.4458   11.143   41.756   15.329   39.854   15.067 1.902405 21.49383 
1 1 1  -16    2   86 o  111.499   10.641   88.417   16.078   0.0000   0.0000   88.417   16.078  ?   ?   111.499   10.641      ?      ? 
1 1 1  -16    2   87 o  128.181   10.258  117.000   17.819   0.0000   0.0000  117.000   17.819  ?   ?   128.181   10.258      ?      ? 
1 1 1  -16    2   88 o   32.152   9.8419   0.7578   7.8881   0.0384   11.506   1.3957   10.835   32.097   14.011   32.207   13.826 -0.1098442 19.68388 
1 1 1  -16    2   89 o   49.188   11.086   18.988   8.3382   18.013   11.950   19.914   11.641   48.133   15.828   50.242   15.527 -2.108559 22.17224 
1 1 1  -16    2   90 o  109.300   11.003   87.056   16.298   87.056   16.298   0.0000   0.0000  109.300   11.003  ?   ?       ?      ? 
1 1 1  -16    3    1 o  582.255   8.6789  2319.49   65.124  2364.75   80.908  2236.20  109.746  590.510   10.111  573.999   14.109 16.51154 17.35772 
1 1 1  -16    3    2 o  1259.36   19.872 10809.06  338.963 10510.76  470.434 11131.15  488.828  1241.34   27.966  1277.37   28.240 -36.02625 39.74348 
1 1 1  -16    3    3 o  383.305   10.457  996.436   54.318   0.0000   0.0000  996.436   54.318  ?   ?   383.305   10.457      ?      ? 
1 1 1  -16    3    4 o  672.268   9.7587  3063.23   84.090  3054.84  103.268  3079.75  144.868  671.082   11.356  673.454   15.874 -2.372253 19.51731 
1 1 1  -16    3    5 o  642.394   8.8498  2807.78   67.207  2816.05   77.958  2783.83  132.623  644.456   8.9266  640.331   15.284 4.125183 17.69967 
1 1 1  -16    3    6 o  557.561   7.9147  2127.27   52.409  2147.69   61.045  2070.01  102.211  562.845   8.0035  552.277   13.657 10.56769 15.82944 
1 1 1  -16    3    7 o  874.707   11.563  5220.60  119.463  5246.25  138.591  5146.45  235.659  879.410   11.629  870.003   19.989 9.407227 23.12541 
1 1 1  -16    3    8 o  1110.16   15.250  8354.82  215.821  8297.07  263.344  8472.95  376.637  1105.10   17.585  1115.23   24.922 -10.13623 30.50100 
1 1 1  -16    3    9 o  871.013   12.198  5129.37  135.433  5082.40  165.152  5225.80  236.654  865.331   14.084  876.695   19.920 -11.36450 24.39556 
1 1 1  -16    3   10 o  565.430   8.4849  2174.18   61.613  2185.40   75.968  2152.62  105.323  567.681   9.8751  563.180   13.800 4.500793 16.96974 
1 1 1  -16    3   11 f  644.292   10.926  2815.58   95.393  2815.58   95.393   0.0000   0.0000  644.292   10.926  ?   ?       ?      ? 
1 1 1  -16    3   12 o  665.521   11.219  3004.34  101.182  3004.34  101.182   0.0000   0.0000  665.521   11.219  ?   ?       ?      ? 
1 1 1  -16    3   13 o  366.932   7.4381  912.708   36.986  912.708   36.986   0.0000   0.0000  366.932   7.4381  ?   ?       ?      ? 
1 1 1  -16    3   14 o  1254.83   14.009 10695.47  238.097 11001.35  343.401 10412.29  330.414  1272.07   19.921  1237.59   19.701 34.47815 28.01764 
1 1 1  -16    3   15 o  575.017   7.0654  2241.45   55.045  2285.46   78.771  2199.45   76.952  580.530   10.013  569.504   9.9710 11.02643 14.13077 
1 1 1  -16    3   16 o  909.494   10.389  5614.54  128.037  5565.42  180.124  5664.71  182.035  905.474   14.680  913.513   14.705 -8.038574 20.77785 
1 1 1  -16    3   17 o  467.834   6.1146  1483.72   38.763  1501.18   55.225  1466.76   54.421  470.546   8.6607  465.122   8.6340 5.424500 12.22923 
1 1 1  -16    3   18 o  900.122   10.302  5498.92  125.653  5558.27  178.978  5441.24  176.449  904.908   14.595  895.336   14.543 9.571960 20.60385 
1 1 1  -16    3   19 o  1511.25   16.734 15537.58  342.584 15918.92  492.622 15180.44  476.741  1529.16   23.773  1493.34   23.558 35.82678 33.46830 
1 1 1  -16    3   20 o  447.487   5.9299  1357.56   35.959  1347.15   50.713  1368.07   50.995  445.763   8.3952  449.211   8.3771 -3.448608 11.85984 
1 1 1  -16    3   21 o  214.306   4.3459  311.289   12.618  302.124   17.782  320.583   17.907  211.128   6.2153  217.484   6.0760 -6.355560 8.691835 
1 1 1  -16    3   22 o  548.436   8.3552  2040.34   58.596  2040.57  101.303  2040.23   71.832  548.353   13.633  548.520   9.6637 -0.1670532 16.71039 
1 1 1  -16    3   23 o  715.901   11.945  3476.82  115.886   0.0000   0.0000  3476.82  115.886  ?   ?   715.901   11.945      ?      ? 
1 1 1  -16    3   24 o  603.472   10.416  2469.85   85.180   0.0000   0.0000  2469.85   85.180  ?   ?   603.472   10.416      ?      ? 
1 1 1  -16    3   25 o  708.531   8.3911  3405.41   80.565  3433.29  114.544  3378.11  113.337  711.399   11.882  705.662   11.852 5.737915 16.78222 
1 1 1  -16    3   26 o  426.054   5.7893  1230.39   33.421  1252.04   47.675  1209.47   46.865  429.739   8.1866  422.370   8.1880 7.368500 11.57855 
1 1 1  -16    3   27 o  416.419   5.7105  1175.63   32.225  1171.80   45.557  1179.46   45.587  415.740   8.0864  417.097   8.0654 -1.356506 11.42103 
1 1 1  -16    3   28 o  214.358   4.4582  311.494   12.944  299.101   18.244  324.057   18.368  210.063   6.4089  218.654   6.1990 -8.590591 8.916346 
1 1 1  -16    3   29 o  761.974   8.9473  3939.54   92.381  3980.83  131.641  3899.47  129.674  765.904   12.683  758.043   12.623 7.861877 17.89465 
1 1 1  -16    3   30 o  467.910   8.8088  1485.24   55.845  1523.09   79.798  1448.91   78.179  473.752   12.430  462.067   12.485 11.68478 17.61770 
1 1 1  -16    3   31 o  518.094   8.2058  1846.38   54.606  1903.66   67.809  1740.70   92.100  529.805   9.4448  506.382   13.421 23.42398 16.41158 
1 1 1  -16    3   32 o  878.937   10.125  5245.95  120.595  5218.15  169.912  5274.17  171.189  876.593   14.304  881.281   14.334 -4.688416 20.25008 
1 1 1  -16    3   33 o  1104.98   12.459  8302.17  186.566  8336.27  264.565  8268.45  263.129  1107.23   17.632  1102.73   17.608 4.507446 24.91895 
1 1 1  -16    3   34 o  627.543   7.6309  2671.93   64.892  2689.80   92.177  2654.36   91.372  629.622   10.803  625.463   10.780 4.159607 15.26189 
1 1 1  -16    3   35 o  568.961   7.0885  2196.11   54.653  2207.77   77.594  2184.64   76.991  570.458   10.037  567.464   10.012 2.994263 14.17709 
1 1 1  -16    3   36 o  436.161   5.9271  1289.92   35.029  1311.24   49.958  1269.31   49.129  439.704   8.3843  432.618   8.3802 7.086182 11.85424 
1 1 1  -16    3   37 o  322.526   5.0822  705.263   22.212  714.440   31.582  696.280   31.244  324.603   7.1797  320.450   7.1950 4.152344 10.16442 
1 1 1  -16    3   38 o  424.980   7.0787  1224.58   38.640  1222.62   47.569  1228.38   66.249  424.577   8.2677  425.382   11.493 -0.8049316 14.15745 
1 1 1  -16    3   39 o  683.674   10.013  3186.36   87.887  3207.22  108.373  3146.28  150.208  687.291   11.636  680.058   16.299 7.233215 20.02635 
1 1 1  -16    3   40 o  125.918   4.9780  107.762   8.4509   94.546   11.876  121.321   12.029  118.073   7.4221  133.763   6.6359 -15.69040 9.955985 
1 1 1  -16    3   41 o  251.819   5.8614  433.914   18.868  418.790   32.344  441.715   23.230  248.412   9.6081  255.226   6.7164 -6.813599 11.72290 
1 1 1  -16    3   42 o  727.596   8.6640  3596.19   85.413  3649.11  122.114  3545.50  119.512  732.828   12.296  722.364   12.209 10.46405 17.32799 
1 1 1  -16    3   43 o  660.712   7.9977  2964.90   71.600  3007.75  102.184  2923.58  100.355  665.397   11.332  656.027   11.288 9.369873 15.99533 
1 1 1  -16    3   44 o  1124.51   12.725  8628.83  193.916  8643.66  274.593  8614.07  273.885  1125.47   18.004  1123.55   17.988 1.921509 25.45054 
1 1 1  -16    3   45 o  492.650   7.9005  1641.69   49.562  1671.70   86.771  1627.16   60.381  495.732   12.917  489.568   9.1013 6.163971 15.80098 
1 1 1  -16    3   46 o  191.594   5.7127  247.269   13.897  254.471   24.534  243.867   16.862  193.578   9.3526  189.610   6.5626 3.968521 11.42537 
1 1 1  -16    3   47 o  476.185   7.7834  1517.22   46.745  1476.77   56.220  1607.80   84.137  466.343   8.8962  486.028   12.774 -19.68564 15.56689 
1 1 1  -16    3   48 o  256.251   4.8141  445.559   16.715  453.780   23.661  437.369   23.616  258.614   6.7516  253.888   6.8642 4.725449 9.628145 
1 1 1  -16    3   49 o  246.447   4.7587  411.909   15.885  393.946   22.210  430.718   22.727  240.946   6.8022  251.949   6.6565 -11.00252 9.517330 
1 1 1  -16    3   50 o  216.311   4.6677  317.159   13.673  333.938   19.680  301.500   19.011  221.839   6.5464  210.784   6.6555 11.05476 9.335422 
1 1 1  -16    3   51 o  716.268   8.5714  3494.31   83.190  3542.03  118.652  3448.17  116.669  721.071   12.143  711.465   12.101 9.605469 17.14285 
1 1 1  -16    3   52 o  519.188   6.7226  1832.86   47.298  1828.30   66.794  1837.45   66.985  518.541   9.5054  519.836   9.5089 -1.295776 13.44516 
1 1 1  -16    3   53 o  183.494   4.7204  228.527   11.737  224.200   16.500  232.959   16.698  181.735   6.6998  185.253   6.6514 -3.518585 9.440790 
1 1 1  -16    3   54 o  232.809   4.7605  367.950   15.018  361.288   21.156  374.717   21.321  230.682   6.7676  234.936   6.6970 -4.252975 9.521035 
1 1 1  -16    3   55 o  300.380   5.0594  612.811   20.595  613.718   29.114  611.903   29.136  300.603   7.1471  300.157   7.1631 0.4465027 10.11886 
1 1 1  -16    3   56 f  198.618   4.7292  267.832   12.721  280.545   18.132  255.508   17.853  203.266   6.5826  193.970   6.7920 9.295517 9.458392 
1 1 1  -16    3   57 o  398.690   8.0537  1084.12   43.504  1053.87   61.169  1115.07   61.884  393.042   11.484  404.338   11.294 -11.29590 16.10742 
1 1 1  -16    3   58 o  449.448   8.6553  1379.64   52.708  1394.69   75.338  1365.21   73.768  451.830   12.304  447.067   12.176 4.762939 17.31063 
1 1 1  -16    3   59 o  354.314   5.4566  853.482   26.199  845.739   36.913  861.341   37.190  352.694   7.7232  355.934   7.7103 -3.240479 10.91314 
1 1 1  -16    3   60 o  183.398   4.7859  228.504   11.893  232.900   16.911  224.201   16.729  185.145   6.7403  181.650   6.7962 3.494690 9.571821 
1 1 1  -16    3   61 o  338.501   5.3458  779.173   24.521  783.884   34.798  774.526   34.560  339.517   7.5632  337.485   7.5568 2.031738 10.69151 
1 1 1  -16    3   62 o  453.725   6.2236  1401.89   38.264  1420.13   54.517  1384.17   53.717  456.632   8.8102  450.819   8.7928 5.813446 12.44724 
1 1 1  -16    3   63 o  169.398   7.1594  195.524   16.422  187.460   22.704  204.374   23.783  165.742   10.108  173.054   10.141 -7.311615 14.31878 
1 1 1  -16    3   64 o  247.702   6.0843  415.837   19.111  424.068   33.732  411.946   23.193  249.266   9.9862  246.137   6.9533 3.129227 12.16850 
1 1 1  -16    3   65 o  398.034   5.7987  1078.98   31.277  1076.82   44.212  1081.15   44.254  397.634   8.2049  398.434   8.1963 -0.8002014 11.59736 
1 1 1  -16    3   66 o  351.019   5.4778  838.787   26.056  829.704   36.674  848.044   37.025  349.099   7.7523  352.939   7.7412 -3.839752 10.95556 
1 1 1  -16    3   67 o  213.165   4.9779  309.004   14.370  325.099   20.548  293.598   20.103  218.608   6.9363  207.722   7.1418 10.88585 9.955770 
1 1 1  -16    3   68 o  295.441   5.1767  594.153   20.726  596.049   29.363  592.270   29.258  295.910   7.3224  294.971   7.3195 0.9391174 10.35345 
1 1 1  -16    3   69 o  212.840   4.9051  308.182   14.144  317.699   20.193  299.016   19.818  216.070   6.8965  209.610   6.9770 6.460129 9.810215 
1 1 1  -16    3   70 o  112.355   5.6719   86.069   8.6334   88.698   12.242   83.467   12.177  114.071   7.9197  110.639   8.1215 3.432045 11.34375 
1 1 1  -16    3   71 o  271.933   5.0970  503.713   18.783  501.285   26.514  506.158   26.611  271.275   7.2125  272.592   7.2040 -1.317169 10.19396 
1 1 1  -16    3   72 o  240.620   6.1285  405.263   18.989  362.191   31.326  430.285   23.876  229.921   10.054  251.319   7.0106 -21.39749 12.25695 
1 1 1  -16    3   73 o  233.159   6.0349  373.365   18.197  377.728   22.661  365.443   30.535  235.397   7.1039  230.922   9.7578 4.475357 12.06980 
1 1 1  -16    3   74 o  174.064   5.1259  206.597   12.086  202.842   16.808  210.618   17.392  172.436   7.1929  175.691   7.3048 -3.255753 10.25173 
1 1 1  -16    3   75 o  285.564   5.1726  556.836   20.017  559.385   28.335  554.297   28.281  286.219   7.3054  284.909   7.3249 1.310577 10.34526 
1 1 1  -16    3   76 f  252.995   5.0616  436.740   17.340  460.864   24.975  414.285   24.095  259.751   7.0951  246.240   7.2208 13.51109 10.12330 
1 1 1  -16    3   77 o   94.535   7.9083   59.757   9.4001   56.382   11.215   67.724   17.234   90.549   9.1401   98.521   12.908 -7.972786 15.81651 
1 1 1  -16    3   78 o  258.743   6.3975  461.148   20.983  460.442   36.820  461.487   25.536  257.860   10.537  259.626   7.2581 -1.765839 12.79496 
1 1 1  -16    3   79 o  170.263   6.6125  210.343   13.976  172.516   24.033  229.674   17.180  157.379   11.269  183.147   6.9223 -25.76753 13.22504 
1 1 1  -16    3   80 o  118.653   5.5167   96.802   8.8646  101.575   12.631   92.168   12.444  121.565   7.6671  115.741   7.9342 5.824341 11.03340 
1 1 1  -16    3   81 o  158.413   6.2094  178.217   12.626  189.959   15.857  157.873   20.872  166.318   7.0356  150.508   10.234 15.81041 12.41874 
1 1 1  -16    3   82 o  161.594   7.2396  183.609   15.735  160.515   22.445  205.932   22.066  151.181   10.956  172.008   9.4667 -20.82626 14.47912 
1 1 1  -16    3   83 o  144.247   5.2504  143.739   10.253  138.235   14.610  149.082   14.394  141.452   7.6216  147.041   7.2236 -5.588882 10.50087 
1 1 1  -16    3   84 o   78.578   6.8763   43.478   7.2446   36.041   10.143   51.222   10.351   71.477   10.472   85.679   8.9149 -14.20173 13.75270 
1 1 1  -16    3   85 o   74.556   8.8006   40.705   8.1587   40.294   13.990   40.916   10.044   72.885   14.672   76.227   9.7229 -3.341988 17.60122 
1 1 1  -16    3   86 o   37.582   10.001   8.4736   7.1092   2.1869   11.998   11.875   8.8253   34.421   14.657   40.743   13.612 -6.322037 20.00233 
1 1 1  -16    3   87 o  125.134   7.4759  111.770   12.630  125.727   18.351   99.208   17.409  132.768   10.199  117.501   10.933 15.26727 14.95190 
1 1 1  -16    3   88 o   75.166   9.6008   42.677   9.5553   46.679   13.672   38.856   13.360   79.532   12.686   70.800   14.414 8.731483 19.20167 
1 1 1  -16    3   89 f   51.275   15.892   20.981   12.185   20.981   12.185   0.0000   0.0000   51.275   15.892  ?   ?       ?      ? 
1 1 1  -16    3   90 o   58.226   15.205   27.300   12.128   27.300   12.128   0.0000   0.0000   58.226   15.205  ?   ?       ?      ? 
1 1 1  -16    4    1 o  1118.16   12.549  8493.71  190.151  8526.38  269.609  8461.37  268.224  1120.30   17.759  1116.02   17.735 4.275146 25.09837 
1 1 1  -16    4    2 o  875.701   12.253  5207.32  137.363  5203.83  168.565  5214.22  236.994  875.625   14.206  875.776   19.969 -0.1513062 24.50662 
1 1 1  -16    4    3 o  517.372   7.4441  1824.31   45.788  1834.13   53.304  1796.67   89.431  520.157   7.5621  514.587   12.825 5.570557 14.88816 
1 1 1  -16    4    4 o  417.758   6.3765  1167.28   31.531  1150.83   36.446  1216.25   62.872  412.051   6.5270  423.465   10.956 -11.41373 12.75294 
1 1 1  -16    4    5 o  309.647   5.7821  646.707   23.336  638.107   29.149  662.057   38.944  306.818   7.0107  312.476   9.1968 -5.658234 11.56421 
1 1 1  -16    4    6 o  1215.02   16.624 10054.86  258.560 10066.43  317.457 10032.06  445.637  1216.98   19.249  1213.05   27.109 3.931641 33.24837 
1 1 1  -16    4    7 o  1042.16   13.538  7310.90  164.655  7243.38  189.213  7521.52  334.198  1033.14   13.515  1051.17   23.461 -18.02551 27.07528 
1 1 1  -16    4    8 o  450.704   6.7751  1386.69   36.412  1397.08   42.481  1357.92   70.689  453.992   6.9049  447.417   11.659 6.574860 13.55018 
1 1 1  -16    4    9 o  1038.52   13.565  7462.63  168.206  7617.05  197.103  7048.76  322.685  1059.43   13.729  1017.61   23.400 41.82141 27.13008 
1 1 1  -16    4   10 o  1219.45   15.735 10190.70  226.923 10268.79  263.639  9967.47  445.769  1229.78   15.820  1209.12   27.206 20.66089 31.47082 
1 1 1  -16    4   11 o  314.068   4.8338  668.476   20.569  651.209   28.888  686.232   29.294  309.954   6.8777  318.181   6.7940 -8.227173 9.667521 
1 1 1  -16    4   12 o  428.143   7.0816  1237.59   38.515  1227.48   46.817  1258.77   67.746  425.510   8.1192  430.776   11.605 -5.266174 14.16330 
1 1 1  -16    4   13 o  515.971   6.5099  1805.11   45.517  1810.28   64.567  1800.01   64.177  516.704   9.2213  515.238   9.1915 1.465576 13.01979 
1 1 1  -16    4   14 o  884.672   10.131  5311.46  121.450  5364.40  172.992  5260.01  170.548  889.015   14.359  880.329   14.296 8.686096 20.26251 
1 1 1  -16    4   15 o  1131.78   12.694  8701.96  194.683  8772.13  276.894  8633.37  273.778  1136.29   17.982  1127.28   17.922 9.012817 25.38807 
1 1 1  -16    4   16 o  818.655   9.4697  4546.35  105.037  4628.90  150.289  4467.52  146.861  825.914   13.428  811.395   13.356 14.51874 18.93949 
1 1 1  -16    4   17 o  448.140   5.9269  1361.38   35.991  1375.87   51.295  1347.32   50.511  450.489   8.4026  445.791   8.3612 4.697815 11.85384 
1 1 1  -16    4   18 o  752.987   10.752  3812.37  102.782  3954.07  181.833  3745.83  124.596  762.924   17.588  743.050   12.374 19.87329 21.50436 
1 1 1  -16    4   19 o  654.262   9.5917  2915.34   80.465  2872.43  137.821  2937.54   99.111  650.429   15.636  658.095   11.113 -7.666138 19.18337 
1 1 1  -16    4   20 o  808.010   11.450  4418.80  117.981  4477.29  205.731  4390.14  144.015  811.680   18.704  804.341   13.212 7.339233 22.89992 
1 1 1  -16    4   21 o  430.160   5.7975  1254.16   33.790  1274.82   48.267  1234.31   47.321  433.632   8.2138  426.688   8.1839 6.944824 11.59493 
1 1 1  -16    4   22 o  314.195   4.9066  668.916   20.887  683.984   29.876  654.510   29.213  317.655   6.9405  310.735   6.9375 6.919434 9.813195 
1 1 1  -16    4   23 o  617.784   9.2315  2595.77   72.790  2572.29  126.023  2607.53   89.167  615.525   15.108  620.044   10.612 -4.518738 18.46301 
1 1 1  -16    4   24 o  860.325   12.175  5043.64  133.958  4982.35  230.792  5074.78  164.504  855.987   19.896  864.663   14.039 -8.676331 24.35087 
1 1 1  -16    4   25 o  511.337   6.5253  1770.88   45.189  1702.58   62.669  1844.84   65.221  501.080   9.2292  521.594   9.2272 -20.51425 13.05066 
1 1 1  -16    4   26 o  967.499   11.014  6356.63  144.394  6403.81  205.225  6310.38  203.198  971.051   15.596  963.947   15.556 7.103821 22.02723 
1 1 1  -16    4   27 o  594.368   7.3024  2396.17   58.817  2395.67   83.281  2396.67   83.077  594.305   10.341  594.430   10.313 -0.1251221 14.60470 
1 1 1  -16    4   28 o  302.122   4.9085  618.719   20.094  605.396   28.284  632.295   28.551  298.838   6.9844  305.406   6.8987 -6.568726 9.816982 
1 1 1  -16    4   29 o  311.021   6.1984  655.796   24.423  655.477   29.670  656.468   43.013  310.948   7.0413  311.094   10.203 -0.1454773 12.39671 
1 1 1  -16    4   30 o  1104.39   15.302  8314.88  215.870  8331.46  264.548  8281.83  373.443  1106.99   17.635  1101.79   25.012 5.201416 30.60371 
1 1 1  -16    4   31 o  1008.84   11.452  6916.57  156.553  6874.17  220.517  6959.65  222.292  1005.73   16.180  1011.96   16.210 -6.228577 22.90306 
1 1 1  -16    4   32 o  509.130   6.5382  1757.89   45.106  1781.40   64.261  1735.05   63.328  512.485   9.2530  505.774   9.2397 6.711517 13.07631 
1 1 1  -16    4   33 o  570.693   7.1012  2209.30   54.915  2235.30   78.193  2184.00   77.140  574.004   10.052  567.382   10.033 6.622375 14.20233 
1 1 1  -16    4   34 o  272.422   4.8034  502.984   17.727  485.304   24.840  521.333   25.306  267.544   6.8513  277.300   6.7342 -9.756409 9.606725 
1 1 1  -16    4   35 o  390.075   6.8617  1028.64   34.024  1042.90   59.717  1021.78   41.401  391.984   11.242  388.167   7.8707 3.817413 13.72335 
1 1 1  -16    4   36 o  560.261   10.003  2129.85   75.945  2129.85   75.945   0.0000   0.0000  560.261   10.003  ?   ?       ?      ? 
1 1 1  -16    4   37 o  533.286   9.6000  1929.61   69.377  1929.61   69.377   0.0000   0.0000  533.286   9.6000  ?   ?       ?      ? 
1 1 1  -16    4   38 o  650.537   7.9004  2873.12   69.647  2880.79   98.647  2865.49   98.344  651.404   11.175  649.671   11.170 1.732727 15.80072 
1 1 1  -16    4   39 o  878.722   10.150  5250.07  120.864  5244.15  170.853  5256.00  171.002  878.226   14.356  879.218   14.352 -0.9923706 20.29985 
1 1 1  -16    4   40 o  513.879   8.1289  1787.36   53.198  1811.69   93.018  1775.53   64.851  516.261   13.296  511.497   9.3560 4.764282 16.25773 
1 1 1  -16    4   41 o  517.751   8.1988  1830.99   54.304  1790.77   93.257  1851.62   66.798  513.198   13.409  522.304   9.4374 -9.105896 16.39755 
1 1 1  -16    4   42 f  509.025   6.5934  1758.76   45.480  1769.08   64.601  1748.61   64.041  510.505   9.3380  507.545   9.3111 2.959686 13.18688 
1 1 1  -16    4   43 o  259.441   4.8026  456.332   16.881  469.256   24.161  444.007   23.595  263.028   6.7785  255.853   6.8052 7.175247 9.605143 
1 1 1  -16    4   44 o  258.932   5.8837  455.746   19.443  452.967   33.692  457.133   23.808  258.266   9.6266  259.599   6.7677 -1.333191 11.76744 
1 1 1  -16    4   45 o  553.242   8.5452  2049.98   59.846  2170.76  106.944  1994.92   72.211  564.566   13.978  541.918   9.8330 22.64740 17.09046 
1 1 1  -16    4   46 o  489.264   7.9328  1617.08   49.234  1597.77   59.723  1658.03   86.978  485.035   9.0863  493.492   13.006 -8.457428 15.86563 
1 1 1  -16    4   47 f  470.399   7.7355  1495.06   46.165  1477.46   56.010  1532.34   81.525  466.404   8.8618  474.394   12.681 -7.990021 15.47096 
1 1 1  -16    4   48 o  286.809   4.9338  558.215   19.174  548.034   27.009  568.559   27.225  284.171   7.0138  289.448   6.9410 -5.277374 9.867599 
1 1 1  -16    4   49 o  164.721   4.7002  184.063   10.490  188.253   14.995  180.047   14.680  166.556   6.6435  162.885   6.6508 3.670731 9.400452 
1 1 1  -16    4   50 o  236.250   4.7402  378.817   15.176  376.335   21.476  381.293   21.447  235.476   6.7300  237.025   6.6772 -1.548965 9.480428 
1 1 1  -16    4   51 o  534.631   6.8563  1943.76   49.672  1925.39   69.954  1962.45   70.544  532.082   9.7018  537.180   9.6908 -5.098389 13.71261 
1 1 1  -16    4   52 o  262.905   4.8626  469.252   17.324  469.353   24.531  469.151   24.469  262.932   6.8846  262.877   6.8689 0.5529785E-01 9.725191 
1 1 1  -16    4   53 o  310.550   5.1122  654.896   21.513  663.567   30.590  646.411   30.260  312.584   7.2216  308.515   7.2378 4.068695 10.22437 
1 1 1  -16    4   54 o  328.339   5.2264  731.902   23.248  753.938   33.328  711.018   32.445  333.150   7.3822  323.527   7.4003 9.623810 10.45278 
1 1 1  -16    4   55 o  288.387   5.0025  564.904   19.549  559.112   27.617  570.722   27.678  286.902   7.1032  289.872   7.0460 -2.969391 10.00508 
1 1 1  -16    4   56 o  183.182   6.5399  228.639   16.207  223.093   23.446  233.713   22.427  181.025   9.5576  185.339   8.9294 -4.314346 13.07983 
1 1 1  -16    4   57 o  335.841   7.4120  767.585   33.702  797.696   48.962  740.472   46.460  342.075   10.562  329.607   10.402 12.46790 14.82404 
1 1 1  -16    4   58 o  458.841   6.2417  1432.39   38.803  1462.22   55.518  1403.91   54.255  463.507   8.8388  454.176   8.8152 9.331329 12.48330 
1 1 1  -16    4   59 o  364.762   5.5249  904.670   27.307  917.636   38.953  892.140   38.292  367.329   7.8253  362.195   7.8016 5.134857 11.04987 
1 1 1  -16    4   60 o  195.995   4.7964  261.102   12.736  256.813   18.103  265.305   17.922  194.394   6.8720  197.597   6.6931 -3.203293 9.592786 
1 1 1  -16    4   61 o  109.314   5.5078   81.326   8.1554   79.796   11.635   82.805   11.435  108.295   7.9281  110.334   7.6478 -2.039291 11.01560 
1 1 1  -16    4   62 o  320.960   7.5794  702.714   32.944  679.591   45.586  727.993   47.664  315.453   10.664  326.467   10.774 -11.01389 15.15888 
1 1 1  -16    4   63 o  139.727   6.2655  128.977   11.145  144.824   19.943  121.780   13.440  145.658   10.103  133.796   7.4126 11.86188 12.53099 
1 1 1  -16    4   64 o  227.253   4.8708  351.154   14.999  353.913   21.350  348.464   21.077  228.132   6.9060  226.373   6.8708 1.759033 9.741695 
1 1 1  -16    4   65 o  105.639   5.7594   76.071   8.2374   72.737   11.693   79.357   11.606  103.325   8.3509  107.953   7.9338 -4.628387 11.51881 
1 1 1  -16    4   66 o  114.111   5.8081   88.947   8.9085  103.539   12.751   75.033   12.451  123.321   7.6302  104.901   8.7588 18.41941 11.61625 
1 1 1  -16    4   67 o  225.406   4.9006  345.671   14.967  336.912   21.088  354.559   21.245  222.521   6.9933  228.291   6.8672 -5.770370 9.801283 
1 1 1  -16    4   68 o  126.507   5.3126  108.913   9.0991  115.729   13.042  102.450   12.701  130.371   7.3823  122.642   7.6419 7.729088 10.62524 
1 1 1  -16    4   69 o  263.790   5.0273  473.717   17.971  479.448   25.541  468.097   25.290  265.372   7.1022  262.209   7.1173 3.162781 10.05469 
1 1 1  -16    4   70 o  303.192   5.2260  626.268   21.471  630.831   30.513  621.793   30.218  304.283   7.3999  302.100   7.3813 2.183289 10.45193 
1 1 1  -16    4   71 o  409.366   7.2558  1148.48   37.989  1148.47   65.578  1148.48   46.606  408.595   11.844  410.138   8.3855 -1.543823 14.51154 
1 1 1  -16    4   72 o  244.908   6.1409  414.377   19.324  395.917   32.661  424.319   23.969  240.306   10.030  249.510   7.0889 -9.203125 12.28185 
1 1 1  -16    4   73 o  340.759   6.6040  788.213   28.869  773.002   35.362  818.613   49.992  336.463   7.7556  345.054   10.691 -8.591553 13.20801 
1 1 1  -16    4   74 o  170.561   5.0618  198.462   11.684  212.757   16.722  184.823   16.333  176.589   6.9877  164.533   7.3254 12.05637 10.12366 
1 1 1  -16    4   75 o  260.759   5.0750  464.439   17.933  464.153   25.356  464.725   25.366  260.678   7.1780  260.839   7.1762 -0.1610718 10.14994 
1 1 1  -16    4   76 o  111.781   7.4921   85.871   10.381   85.219   12.380   87.415   19.052  111.499   8.1932  112.062   12.546 -0.5626373 14.98412 
1 1 1  -16    4   77 o  117.145   8.2173   94.192   13.045   94.192   13.045   0.0000   0.0000  117.145   8.2173  ?   ?       ?      ? 
1 1 1  -16    4   78 o  215.092   6.3042  324.886   17.182  300.812   29.556  337.175   21.117  208.275   10.472  221.908   7.0222 -13.63303 12.60837 
1 1 1  -16    4   79 o   72.571   7.6698   37.558   7.2056   29.185   10.156   46.045   10.224   63.532   12.241   81.611   9.2451 -18.07938 15.33968 
1 1 1  -16    4   80 o  138.780   5.2166  132.425   9.8058  127.911   13.887  136.914   13.848  136.383   7.5140  141.176   7.2383 -4.792419 10.43329 
1 1 1  -16    4   81 o  159.826   5.0757  175.442   10.983  185.927   15.854  165.765   15.231  164.432   7.1149  155.220   7.2408 9.211868 10.15144 
1 1 1  -16    4   82 o  172.754   4.9977  205.322   11.688  218.533   16.788  192.892   16.283  178.188   6.9523  167.321   7.1814 10.86662 9.995368 
1 1 1  -16    4   83 o   34.716   9.0298   6.1227   5.9542   0.4968   8.3837   11.848   8.4578   28.549   12.206   40.884   13.310 -12.33521 18.05959 
1 1 1  -16    4   84 o  238.254   6.1349  397.105   18.748  393.387   32.032  399.042   23.123  236.251   10.005  240.258   7.1020 -4.006927 12.26973 
1 1 1  -16    4   85 o   67.654   9.0806   33.250   7.7549   35.621   13.306   32.030   9.5432   68.174   14.825   67.134   10.490 1.039169 18.16120 
1 1 1  -16    4   86 o   99.524   8.0029   71.367   10.775   66.721   15.207   76.052   15.271   96.078   11.680  102.970   10.944 -6.892342 16.00579 
1 1 1  -16    4   87 o   48.558   11.053   18.098   8.3202   21.066   11.887   15.247   11.650   51.777   15.630   45.340   15.632 6.437088 22.10563 
1 1 1  -16    4   88 o  103.386   11.155   77.677   15.629   77.677   15.629   0.0000   0.0000  103.386   11.155  ?   ?       ?      ? 
1 1 1  -16    4   89 o   74.753   14.452   43.761   14.110   43.761   14.110   0.0000   0.0000   74.753   14.452  ?   ?       ?      ? 
1 1 1  -16    4   90 o   43.144   15.643   13.720   11.789   13.720   11.789   0.0000   0.0000   43.144   15.643  ?   ?       ?      ? 
1 1 1  -16    5    1 o  529.289   6.6276  1899.46   47.535  1880.01   66.857  1919.33   67.598  526.550   9.3696  532.028   9.3760 -5.477722 13.25518 
1 1 1  -16    5    2 o  1084.84   12.211  7991.81  179.481  8136.62  256.931  7853.80  250.829  1094.43   17.324  1075.26   17.214 19.17078 24.42219 
1 1 1  -16    5    3 o  693.330   8.2081  3257.99   77.084  3162.91  107.066  3360.31  111.072  682.839   11.570  703.820   11.646 -20.98059 16.41624 
1 1 1  -16    5    4 o  828.303   10.989  4656.25  107.357  4654.17  124.280  4662.37  213.107  828.357   11.071  828.249   18.987 0.1088257 21.97898 
1 1 1  -16    5    5 o  999.323   13.817  6705.68  175.205  6557.81  212.094  7023.39  310.888  982.732   15.926  1015.91   22.582 -33.18225 27.63322 
1 1 1  -16    5    6 o  606.763   8.9754  2492.51   70.055  2480.73   86.318  2515.25  119.912  604.796   10.532  608.730   14.536 -3.933899 17.95072 
1 1 1  -16    5    7 o  731.395   9.8836  3685.40   86.284  3748.65  100.982  3514.32  166.077  743.491   10.023  719.299   17.038 24.19202 19.76727 
1 1 1  -16    5    8 o  267.763   5.1841  497.367   16.933  513.071   20.155  459.691   31.219  275.143   5.4056  260.383   8.8475 14.76013 10.36814 
1 1 1  -16    5    9 o  740.369   10.609  3769.40  101.669  3892.64  127.419  3553.44  168.671  757.464   12.413  723.274   17.209 34.18970 21.21883 
1 1 1  -16    5   10 f  614.778   9.0709  2581.35   71.904  2620.58   89.280  2508.92  121.303  621.606   10.599  607.950   14.724 13.65680 18.14180 
1 1 1  -16    5   11 o  1012.24   16.203  6958.10  222.255  6958.10  222.255   0.0000   0.0000  1012.24   16.203  ?   ?       ?      ? 
1 1 1  -16    5   12 o  822.618   13.459  4592.19  150.038  4592.19  150.038   0.0000   0.0000  822.618   13.459  ?   ?       ?      ? 
1 1 1  -16    5   13 o  669.225   9.7186  2961.51   81.864  3248.39  149.053  2837.60   97.961  691.654   15.903  646.796   11.176 44.85809 19.43729 
1 1 1  -16    5   14 f  1090.00   14.987  7905.67  205.135  8546.62  373.855  7629.58  245.372  1120.19   24.628  1059.81   17.085 60.37695 29.97378 
1 1 1  -16    5   15 o  520.881   6.5681  1838.54   46.346  1887.20   66.604  1792.86   64.531  527.557   9.3164  514.205   9.2609 13.35181 13.13615 
1 1 1  -16    5   16 o  296.598   4.7614  596.117   19.135  607.291   27.345  585.396   26.784  299.320   6.7415  293.875   6.7256 5.445038 9.522738 
1 1 1  -16    5   17 o  303.494   4.7988  624.240   19.734  632.310   28.152  616.443   27.671  305.422   6.8019  301.566   6.7711 3.855804 9.597543 
1 1 1  -16    5   18 o  324.551   7.0400  714.018   30.963  714.018   30.963   0.0000   0.0000  324.551   7.0400  ?   ?       ?      ? 
1 1 1  -16    5   19 o  970.560   11.028  6390.79  144.969  6580.74  209.098  6214.97  201.166  984.424   15.674  956.696   15.517 27.72797 22.05555 
1 1 1  -16    5   20 o  256.824   4.5576  447.005   15.859  451.069   22.676  443.113   22.189  257.966   6.4865  255.682   6.4041 2.283813 9.115235 
1 1 1  -16    5   21 o  422.886   5.7365  1211.54   32.862  1248.12   47.263  1177.31   45.722  429.060   8.1286  416.712   8.0967 12.34802 11.47305 
1 1 1  -16    5   22 o  379.606   5.4113  976.489   27.830  996.801   39.901  957.249   38.835  383.448   7.6789  375.765   7.6264 7.683014 10.82253 
1 1 1  -16    5   23 f  768.963   11.064  4026.14  108.662  3985.76  187.799  4046.47  133.228  765.747   18.098  772.179   12.732 -6.431702 22.12762 
1 1 1  -16    5   24 o  347.802   5.1901  819.973   24.460  828.369   34.848  811.819   34.341  349.557   7.3567  346.048   7.3230 3.508789 10.38013 
1 1 1  -16    5   25 o  493.317   6.3756  1650.30   42.621  1655.92   60.488  1644.75   60.064  494.151   9.0329  492.483   8.9999 1.668304 12.75118 
1 1 1  -16    5   26 o  309.974   4.9392  651.362   20.747  652.321   29.495  650.423   29.187  310.199   7.0166  309.749   6.9535 0.4502869 9.878467 
1 1 1  -16    5   27 o  532.302   9.5339  1921.80   68.772  1921.80   68.772   0.0000   0.0000  532.302   9.5339  ?   ?       ?      ? 
1 1 1  -16    5   28 o  793.242   9.2448  4270.51   99.359  4345.60  142.143  4198.76  138.943  800.055   13.111  786.429   13.037 13.62549 18.48955 
1 1 1  -16    5   29 o  448.334   7.4880  1381.37   42.962  1419.43   53.095  1309.18   73.116  457.499   8.5640  439.169   12.286 18.32968 14.97600 
1 1 1  -16    5   30 o  293.632   4.8781  584.444   19.408  572.572   27.268  596.635   27.631  290.609   6.9240  296.654   6.8733 -6.045227 9.756266 
1 1 1  -16    5   31 o  285.759   4.8410  553.638   18.746  552.055   26.580  555.204   26.442  285.352   6.8738  286.166   6.8187 -0.8139954 9.682088 
1 1 1  -16    5   32 o  813.785   9.4661  4497.93  104.390  4473.83  147.170  4522.34  148.093  811.591   13.381  815.978   13.393 -4.386780 18.93219 
1 1 1  -16    5   33 o  713.951   8.4828  3459.94   82.062  3411.24  115.020  3510.43  117.113  708.838   11.974  719.063   12.019 -10.22583 16.96551 
1 1 1  -16    5   34 o  473.760   7.5777  1527.10   46.204  1535.52   57.108  1511.14   78.616  475.780   8.8574  471.740   12.298 4.039856 15.15550 
1 1 1  -16    5   35 o  413.280   6.9891  1171.18   37.336  1201.13   46.622  1117.63   62.341  420.821   8.1754  405.739   11.338 15.08148 13.97821 
1 1 1  -16    5   36 o  554.601   6.9744  2087.33   52.417  2090.19   74.287  2084.51   73.971  554.977   9.8777  554.225   9.8490 0.7518921 13.94886 
1 1 1  -16    5   37 o  962.728   11.007  6305.67  143.591  6351.08  204.084  6261.16  202.068  966.154   15.588  959.302   15.544 6.852722 22.01331 
1 1 1  -16    5   38 o  368.735   5.4388  922.268   27.176  914.509   38.424  930.034   38.442  367.182   7.7222  370.289   7.6610 -3.106598 10.87764 
1 1 1  -16    5   39 o  288.935   4.9638  566.277   19.433  560.784   27.646  571.641   27.320  287.547   7.0949  290.323   6.9441 -2.776215 9.927660 
1 1 1  -16    5   40 o  377.532   6.8537  974.912   32.979  946.012   56.940  989.501   40.455  373.160   11.260  381.904   7.8169 -8.743256 13.70737 
1 1 1  -16    5   41 f  262.410   6.9547  467.487   24.725  463.510   34.528  471.674   35.422  261.270   9.7521  263.551   9.9180 -2.281128 13.90939 
1 1 1  -16    5   42 o  458.984   8.7886  1428.85   54.583  1537.29   79.436  1331.86   75.127  475.450   12.329  442.518   12.528 32.93240 17.57722 
1 1 1  -16    5   43 o  199.697   5.6307  267.671   14.391  279.646   25.098  261.806   17.565  202.936   9.1263  196.457   6.5976 6.478378 11.26132 
1 1 1  -16    5   44 o  268.698   4.8618  489.833   17.701  490.289   25.211  489.390   24.859  268.819   6.9206  268.577   6.8303 0.2420959 9.723577 
1 1 1  -16    5   45 o  118.203   5.1870   94.793   8.3072   92.407   11.641   97.268   11.858  116.688   7.3621  119.719   7.3090 -3.031113 10.37405 
1 1 1  -16    5   46 o  161.193   5.9553  171.089   12.103  162.507   14.480  190.983   22.047  154.750   6.9048  167.637   9.7050 -12.88713 11.91062 
1 1 1  -16    5   47 o  174.430   4.6877  206.501   11.073  196.515   15.593  216.660   15.726  170.170   6.7617  178.690   6.4944 -8.519897 9.375411 
1 1 1  -16    5   48 o  681.735   8.2445  3163.60   76.153  3220.18  108.923  3109.49  106.510  687.688   11.688  675.781   11.631 11.90649 16.48891 
1 1 1  -16    5   49 o  469.606   6.2941  1498.35   40.048  1525.35   57.246  1472.47   56.047  473.746   8.9169  465.467   8.8855 8.278992 12.58821 
1 1 1  -16    5   50 f  570.408   7.1909  2213.66   55.581  2230.86   79.070  2196.87   78.146  572.592   10.190  568.224   10.149 4.368774 14.38172 
1 1 1  -16    5   51 o  698.746   8.4114  3327.81   79.641  3365.43  113.513  3291.34  111.766  702.626   11.922  694.867   11.869 7.759033 16.82286 
1 1 1  -16    5   52 o  466.451   6.2683  1479.46   39.622  1471.55   55.961  1487.41   56.107  465.198   8.8770  467.703   8.8524 -2.504791 12.53661 
1 1 1  -16    5   53 o  228.769   4.7354  355.212   14.677  364.851   20.998  346.004   20.523  231.803   6.6845  225.735   6.7091 6.068069 9.470747 
1 1 1  -16    5   54 o  170.291   4.7698  196.879   11.000  207.163   15.702  186.969   15.414  174.663   6.6338  165.919   6.8554 8.743988 9.539585 
1 1 1  -16    5   55 o  318.902   6.2782  696.095   25.901  706.211   32.282  677.816   43.394  322.377   7.3895  315.426   10.152 6.950806 12.55646 
1 1 1  -16    5   56 o  411.840   8.2187  1157.99   45.862  1150.34   65.281  1165.44   64.444  410.467   11.736  413.213   11.509 -2.745667 16.43743 
1 1 1  -16    5   57 o   74.628   6.8214   37.857   6.8320   45.445   9.9584   31.110   9.3905   81.704   8.9942   67.552   10.258 14.15160 13.64274 
1 1 1  -16    5   58 o  214.217   4.7831  311.779   13.885  315.108   19.731  308.512   19.542  215.350   6.7611  213.084   6.7676 2.266464 9.566230 
1 1 1  -16    5   59 o  124.443   5.2731  105.591   8.8200   89.068   12.333  122.888   12.619  114.421   7.9539  134.465   6.9250 -20.04445 10.54612 
1 1 1  -16    5   60 o  277.568   5.0169  523.704   18.867  509.143   26.508  538.653   26.858  273.652   7.1483  281.485   7.0411 -7.832947 10.03372 
1 1 1  -16    5   61 o  209.965   7.0157  300.879   19.952  311.523   28.203  290.215   28.230  213.710   9.7383  206.220   10.102 7.490173 14.03140 
1 1 1  -16    5   62 o  438.747   8.7600  1317.89   52.055  1379.94   74.746  1259.46   72.537  448.805   12.290  428.690   12.486 20.11432 17.51993 
1 1 1  -16    5   63 o  281.329   5.0663  538.386   19.314  532.448   27.297  544.338   27.331  279.771   7.2001  282.888   7.1294 -3.117584 10.13257 
1 1 1  -16    5   64 o   86.528   6.5045   51.027   7.6195   54.313   10.939   47.930   10.620   89.241   9.0452   83.814   9.3498 5.426781 13.00908 
1 1 1  -16    5   65 o  153.809   5.1442  160.924   10.720  165.518   15.340  156.539   14.986  155.955   7.2583  151.663   7.2917 4.292007 10.28839 
1 1 1  -16    5   66 o  205.571   4.9042  287.534   13.656  276.454   19.226  298.815   19.400  201.561   7.0389  209.581   6.8307 -8.019135 9.808420 
1 1 1  -16    5   67 o  187.077   4.9283  238.098   12.489  248.039   17.824  228.512   17.504  190.921   6.8893  183.233   7.0492 7.687866 9.856656 
1 1 1  -16    5   68 o  157.272   5.0588  168.367   10.779  173.652   15.371  163.254   15.120  159.705   7.1023  154.839   7.2058 4.866455 10.11762 
1 1 1  -16    5   69 o   58.875   9.0617   24.873   7.0316   21.922   10.049   27.704   9.8427   55.288   13.524   62.463   12.065 -7.174397 18.12347 
1 1 1  -16    5   70 o  277.724   6.2197  519.469   22.046  549.466   38.747  505.109   26.808  283.198   10.096  272.250   7.2663 10.94775 12.43933 
1 1 1  -16    5   71 o  240.364   6.0874  397.274   18.766  387.366   32.012  402.463   23.164  237.719   9.9371  243.008   7.0343 -5.288467 12.17483 
1 1 1  -16    5   72 o  121.636   6.6391  102.834   10.497  106.903   13.259   96.001   17.183  125.116   7.8200  118.157   10.731 6.959427 13.27826 
1 1 1  -16    5   73 o   94.449   8.8333   60.277   11.167   73.759   17.417   50.866   14.551  103.205   12.454   85.694   12.531 17.51110 17.66669 
1 1 1  -16    5   74 o  266.062   6.3260  489.145   21.456  475.131   36.995  496.248   26.337  262.593   10.396  269.532   7.2107 -6.939545 12.65205 
1 1 1  -16    5   75 o  102.891   7.9713   77.547   10.029   84.735   12.203   62.593   17.602  111.200   8.0981   94.582   13.733 16.61720 15.94264 
1 1 1  -16    5   76 o  123.988   6.9781  106.819   10.916  108.128   13.271  104.082   19.195  125.596   7.7976  122.379   11.575 3.217186 13.95614 
1 1 1  -16    5   77 o  182.617   6.2521  223.346   14.456  247.644   26.053  212.539   17.376  189.113   10.166  176.121   7.2803 12.99156 12.50425 
1 1 1  -16    5   78 o   88.425   8.8887   58.182   9.3006   49.201   16.533   62.341   11.250   81.780   15.485   95.069   8.7320 -13.28923 17.77738 
1 1 1  -16    5   79 o  139.831   5.2337  134.288   9.8879  120.754   13.763  148.725   14.215  132.482   7.6661  147.179   7.1272 -14.69678 10.46743 
1 1 1  -16    5   80 o   63.915   8.2151   29.205   6.9258   34.172   9.9989   24.624   9.6023   69.892   10.557   57.939   12.590 11.95335 16.43018 
1 1 1  -16    5   81 o   54.070   8.9406   21.534   6.4642   25.483   9.3288   17.887   8.9656   58.988   12.077   49.153   13.187 9.835285 17.88115 
1 1 1  -16    5   82 o   39.725   9.4559   10.907   6.0286   10.299   8.6520   11.480   8.4048   39.052   13.471   40.399   13.274 -1.346245 18.91185 
1 1 1  -16    5   83 o   77.850   8.5757   44.831   8.2114   41.369   14.042   46.630   10.123   74.086   14.505   81.614   9.1528 -7.527435 17.15149 
1 1 1  -16    5   84 o  173.291   6.1600  214.899   13.629  194.977   22.908  225.816   16.957  165.909   10.189  180.672   6.9259 -14.76286 12.31999 
1 1 1  -16    5   85 o   49.156   10.334   18.573   7.2516   17.257   12.173   19.297   9.0285   47.918   15.986   50.395   13.099 -2.477261 20.66743 
1 1 1  -16    5   86 o   45.462   11.153   15.251   8.4053   16.248   11.730   14.198   12.050   46.471   15.692   44.452   15.853 2.019436 22.30569 
1 1 1  -16    5   87 o  138.253   7.2501  137.318   13.582  134.419   19.096  140.286   19.321  136.737   10.305  139.770   10.201 -3.033264 14.50021 
1 1 1  -16    5   88 o  109.770   10.937   87.684   16.269   87.684   16.269   0.0000   0.0000  109.770   10.937  ?   ?       ?      ? 
1 1 1  -16    5   89 o   87.316   12.220   56.745   14.459   56.745   14.459   0.0000   0.0000   87.316   12.220  ?   ?       ?      ? 
1 1 1  -16    5   90 o   89.503   12.457   60.156   15.109   60.156   15.109   0.0000   0.0000   89.503   12.457  ?   ?       ?      ? 
1 1 1  -16    6    1 o  613.626   10.500  2554.00   87.312  2554.00   87.312   0.0000   0.0000  613.626   10.500  ?   ?       ?      ? 
1 1 1  -16    6    2 o  682.612   8.1097  3160.61   75.010  3202.68  106.937  3119.86  105.245  687.081   11.485  678.142   11.452 8.939331 16.21930 
1 1 1  -16    6    3 o  268.497   6.4311  488.654   23.400  488.654   23.400   0.0000   0.0000  268.497   6.4311  ?   ?       ?      ? 
1 1 1  -16    6    4 o  216.859   4.3049  318.772   12.650  315.843   17.921  321.681   17.859  215.865   6.1264  217.852   6.0494 -1.986801 8.609799 
1 1 1  -16    6    5 o  543.995   8.2135  1970.93   57.067  1901.83   69.311  2116.37  100.553  529.567   9.6582  558.423   13.288 -28.85596 16.42694 
1 1 1  -16    6    6 o  905.632   11.895  5528.66  126.173  5486.57  145.300  5657.72  254.419  899.266   11.923  911.998   20.586 -12.73163 23.78965 
1 1 1  -16    6    7 o  470.490   6.9653  1513.96   39.216  1528.67   45.870  1474.00   75.601  474.874   7.1279  466.106   11.969 8.767761 13.93069 
1 1 1  -16    6    8 o  243.142   5.0570  415.411   15.052  437.274   18.068  365.818   27.212  254.007   5.2490  232.277   8.6452 21.72978 10.11392 
1 1 1  -16    6    9 o  477.599   7.0295  1543.60   39.922  1539.97   46.390  1553.95   78.382  476.624   7.1823  478.575   12.086 -1.950623 14.05908 
1 1 1  -16    6   10 f  889.335   11.738  5376.19  123.164  5379.85  142.652  5365.48  244.111  890.487   11.821  888.183   20.282 2.304810 23.47524 
1 1 1  -16    6   11 o  539.050   7.8245  1969.97   57.157  1969.97   57.157   0.0000   0.0000  539.050   7.8245  ?   ?       ?      ? 
1 1 1  -16    6   12 o  223.598   4.7677  330.895   13.049  320.790   15.327  357.513   24.875  217.560   5.1987  229.636   7.9937 -12.07588 9.535498 
1 1 1  -16    6   13 o  275.545   5.2112  520.859   17.457  528.882   20.644  500.720   32.707  279.346   5.4534  271.744   8.8817 7.601929 10.42232 
1 1 1  -16    6   14 o  690.230   9.4023  3235.93   76.765  3238.52   89.026  3228.43  151.578  691.052   9.5065  689.409   16.225 1.643127 18.80461 
1 1 1  -16    6   15 o  619.807   9.1515  2629.72   73.200  2683.45   91.107  2531.89  122.946  628.972   10.689  610.641   14.858 18.33154 18.30309 
1 1 1  -16    6   16 f  590.458   7.2316  2363.06   57.842  2426.16   83.186  2304.00   80.483  598.081   10.264  582.834   10.190 15.24756 14.46315 
1 1 1  -16    6   17 o  906.890   10.380  5583.30  127.544  5664.06  182.144  5505.60  178.657  913.318   14.717  900.462   14.641 12.85571 20.75907 
1 1 1  -16    6   18 o  803.696   9.3273  4383.92  101.581  4419.19  144.529  4349.49  142.801  806.888   13.218  800.505   13.164 6.382935 18.65465 
1 1 1  -16    6   19 o  942.114   10.756  6027.26  137.314  6103.65  195.800  5953.33  192.623  947.982   15.242  936.245   15.182 11.73767 21.51292 
1 1 1  -16    6   20 f  348.085   5.1667  821.346   24.369  827.066   34.723  815.795   34.210  349.278   7.3361  346.891   7.2773 2.386536 10.33335 
1 1 1  -16    6   21 o  513.711   6.5414  1788.15   45.517  1844.37   65.593  1735.93   63.214  521.491   9.2817  505.932   9.2202 15.55908 13.08286 
1 1 1  -16    6   22 o  794.895   11.378  4285.04  115.121  4318.13  201.196  4268.93  140.371  796.787   18.633  793.003   13.062 3.783264 22.75589 
1 1 1  -16    6   23 o  852.789   9.8681  4928.71  113.919  5157.84  165.818  4723.90  156.772  871.512   14.040  834.067   13.870 37.44446 19.73614 
1 1 1  -16    6   24 o  983.951   11.194  6573.20  149.188  6772.42  215.130  6388.63  207.067  998.288   15.902  969.615   15.759 28.67346 22.38821 
1 1 1  -16    6   25 o  373.628   5.3948  946.293   27.311  961.701   39.014  931.487   38.245  376.609   7.6444  370.647   7.6144 5.962158 10.78962 
1 1 1  -16    6   26 o  236.105   4.5852  377.918   14.670  377.129   20.837  378.693   20.657  235.860   6.5192  236.350   6.4495 -0.4900208 9.170362 
1 1 1  -16    6   27 o  415.287   8.1217  1169.55   45.706  1169.55   45.706   0.0000   0.0000  415.287   8.1217  ?   ?       ?      ? 
1 1 1  -16    6   28 o  204.387   5.8456  287.879   15.016  295.987   18.252  270.901   26.412  208.948   6.4461  199.826   9.7536 9.121979 11.69123 
1 1 1  -16    6   29 o  485.415   6.3444  1597.74   41.726  1567.45   58.340  1629.46   59.702  480.708   8.9557  490.122   8.9888 -9.413605 12.68871 
1 1 1  -16    6   30 o  576.590   8.7012  2250.82   64.216  2237.46   78.687  2277.48  111.117  574.233   10.112  578.947   14.163 -4.713745 17.40246 
1 1 1  -16    6   31 o  538.958   8.3464  2009.81   58.382  2115.15   73.838  1834.12   95.357  558.332   9.7590  519.585   13.543 38.74744 16.69288 
1 1 1  -16    6   32 o  639.258   9.4897  2815.00   78.504  2913.66   98.435  2642.59  130.127  655.140   11.087  623.376   15.404 31.76385 18.97942 
1 1 1  -16    6   33 o  185.214   4.5601  232.607   11.442  231.878   16.363  233.304   16.006  184.929   6.5296  185.500   6.3672 -0.5707397 9.120162 
1 1 1  -16    6   34 o  716.341   8.5252  3479.84   82.687  3628.81  119.978  3345.07  114.115  730.912   12.113  701.771   12.000 29.14063 17.05043 
1 1 1  -16    6   35 f  181.279   4.6183  222.923   11.340  218.673   16.174  227.032   15.904  179.576   6.6464  182.981   6.4139 -3.405106 9.236519 
1 1 1  -16    6   36 o  832.373   9.6857  4707.75  109.206  4836.69  157.277  4587.71  151.752  843.357   13.762  821.390   13.633 21.96698 19.37140 
1 1 1  -16    6   37 o  363.267   5.3939  894.945   26.548  909.214   37.966  881.293   37.138  366.098   7.6527  360.436   7.6034 5.662262 10.78774 
1 1 1  -16    6   38 o  232.904   4.7085  368.015   14.856  360.061   21.114  375.814   20.907  230.407   6.7622  235.400   6.5538 -4.993240 9.416993 
1 1 1  -16    6   39 o  496.445   7.9716  1660.65   50.131  1714.76   88.956  1635.47   60.684  502.068   13.075  490.822   9.1237 11.24637 15.94330 
1 1 1  -16    6   40 o  363.061   6.5574  879.187   30.243  940.187   53.808  851.019   36.565  371.977   10.675  354.144   7.6191 17.83310 13.11474 
1 1 1  -16    6   41 o  164.798   5.5780  180.123   11.792  197.178   20.677  171.903   14.355  170.408   8.9539  159.188   6.6546 11.22057 11.15598 
1 1 1  -16    6   42 o  364.837   5.4360  902.841   26.867  927.869   38.574  879.258   37.444  369.744   7.6985  359.931   7.6768 9.813873 10.87202 
1 1 1  -16    6   43 o  561.950   7.0877  2145.21   53.961  2193.03   77.347  2099.85   75.320  568.045   10.048  555.855   9.9992 12.19006 14.17549 
1 1 1  -16    6   44 o  367.283   6.8399  924.593   31.971  940.092   39.184  893.724   55.299  372.123   7.7704  362.443   11.259 9.680176 13.67988 
1 1 1  -16    6   45 o  432.941   8.5662  1276.34   50.255  1270.19   70.654  1282.64   71.495  431.892   12.072  433.990   12.157 -2.097137 17.13242 
1 1 1  -16    6   46 o  142.549   7.1431  138.181   13.796  137.601   19.301  138.786   19.726  142.248   10.013  142.850   10.190 -0.6019897 14.28621 
1 1 1  -16    6   47 o  288.333   6.1960  562.116   22.626  557.025   27.426  572.965   40.039  286.448   7.0652  290.218   10.181 -3.770782 12.39197 
1 1 1  -16    6   48 o  267.378   4.8788  485.321   17.677  480.916   24.937  489.771   25.062  266.157   6.9139  268.599   6.8854 -2.441223 9.757657 
1 1 1  -16    6   49 o  203.795   4.6984  281.932   12.975  282.931   18.426  280.949   18.274  204.152   6.6604  203.437   6.6286 0.7144165 9.396786 
1 1 1  -16    6   50 o  111.749   5.3083   84.901   8.0315   82.174   11.472   87.523   11.248  109.980   7.6973  113.518   7.3119 -3.538017 10.61663 
1 1 1  -16    6   51 o  459.811   6.2233  1437.79   38.778  1430.76   54.758  1444.86   54.922  458.682   8.8096  460.940   8.7926 -2.258331 12.44667 
1 1 1  -16    6   52 o  164.595   4.8021  183.796   10.700  195.768   15.380  172.565   14.897  169.790   6.6842  159.400   6.8964 10.39047 9.604121 
1 1 1  -16    6   53 o  447.711   7.4630  1373.95   43.024  1391.98   53.326  1340.31   72.823  452.360   8.6991  443.062   12.129 9.297974 14.92592 
1 1 1  -16    6   54 o  301.579   6.2665  633.333   24.543  676.033   31.217  564.219   39.715  315.408   7.3035  287.750   10.185 27.65833 12.53292 
1 1 1  -16    6   55 o  302.170   6.3719  633.980   24.623  582.527   41.577  661.775   30.558  292.287   10.497  312.052   7.2264 -19.76541 12.74382 
1 1 1  -16    6   56 o  366.137   5.5254  911.249   27.409  931.622   39.283  891.924   38.260  370.119   7.8322  362.154   7.7960 7.965424 11.05079 
1 1 1  -16    6   57 o  100.756   5.6517   69.078   7.7043   74.266   10.980   64.047   10.813  104.495   7.7537   97.017   8.2248 7.477989 11.30343 
1 1 1  -16    6   58 o  106.138   5.4874   76.618   7.8894   79.721   11.242   73.606   11.074  108.261   7.6630  104.015   7.8566 4.245354 10.97481 
1 1 1  -16    6   59 o  232.678   4.8600  367.992   15.322  358.767   21.565  377.396   21.772  229.727   6.9273  235.628   6.8185 -5.900986 9.720072 
1 1 1  -16    6   60 o  335.221   7.6798  767.918   34.881  770.997   48.941  764.740   49.727  335.933   10.751  334.510   10.970 1.422516 15.35951 
1 1 1  -16    6   61 o  212.932   6.0606  313.154   16.438  296.128   28.204  321.912   20.229  208.279   9.9928  217.584   6.8606 -9.305588 12.12125 
1 1 1  -16    6   62 o  262.739   5.0023  469.601   17.805  454.711   25.114  484.649   25.247  258.537   7.1681  266.940   6.9793 -8.403229 10.00465 
1 1 1  -16    6   63 o  174.362   5.0426  206.809   11.911  208.256   17.082  205.439   16.618  174.948   7.2052  173.776   7.0568 1.172409 10.08527 
1 1 1  -16    6   64 o  148.035   5.1998  149.151   10.429  149.706   14.898  148.617   14.605  148.300   7.4130  147.770   7.2937 0.5297546 10.39954 
1 1 1  -16    6   65 o  240.115   4.9807  392.175   16.203  402.375   23.203  382.467   22.636  243.162   7.0415  237.069   7.0461 6.092270 9.961432 
1 1 1  -16    6   66 o  286.331   5.1621  558.255   20.029  552.723   28.338  563.777   28.312  284.906   7.3399  287.756   7.2604 -2.850128 10.32417 
1 1 1  -16    6   67 o  309.509   5.2850  652.401   22.163  664.675   31.701  640.667   30.997  312.352   7.4893  306.665   7.4588 5.686249 10.56990 
1 1 1  -16    6   68 o  150.812   6.2678  158.423   12.314  167.801   15.690  143.382   19.872  156.926   7.3781  144.699   10.134 12.22740 12.53551 
1 1 1  -16    6   69 o  301.770   10.210  624.211   41.754   0.0000   0.0000  624.211   41.754  ?   ?   301.770   10.210      ?      ? 
1 1 1  -16    6   70 o  377.812   7.0753  985.615   34.217  957.861   58.527  1000.03   42.175  372.977   11.579  382.648   8.1334 -9.671082 14.15052 
1 1 1  -16    6   71 o   98.633   7.7130   71.416   9.5729   83.973   12.255   51.758   15.333  110.839   8.1589   86.427   13.092 24.41177 15.42592 
1 1 1  -16    6   72 o  133.919   6.3686  122.559   11.175  121.425   14.081  124.489   18.367  133.281   7.7963  134.558   10.072 -1.277466 12.73721 
1 1 1  -16    6   73 f  164.965   5.1535  186.050   11.488  168.219   16.093  204.574   16.403  156.847   7.5716  173.083   6.9933 -16.23576 10.30705 
1 1 1  -16    6   74 f  288.514   6.5391  578.417   23.988  590.265   29.425  554.946   41.417  293.738   7.3922  283.289   10.789 10.44983 13.07821 
1 1 1  -16    6   75 o   35.804   10.481   0.3179   7.8239  -3.8533   9.3192   10.279   14.401   27.206   12.201   44.402   17.046 -17.19638 20.96274 
1 1 1  -16    6   76 o  214.899   5.0286  316.524   14.635  308.537   20.892  324.217   20.506  212.184   7.2659  217.613   6.9537 -5.428146 10.05726 
1 1 1  -16    6   77 o  227.112   6.2949  357.491   17.998  352.275   31.871  359.934   21.809  225.093   10.448  229.132   7.0237 -4.038834 12.58976 
1 1 1  -16    6   78 o  179.646   5.0336  221.632   12.247  220.972   17.613  222.249   17.040  179.344   7.2469  179.948   6.9880 -0.6044006 10.06728 
1 1 1  -16    6   79 o   80.015   6.7305   44.382   7.2820   48.639   10.629   40.616   9.9965   83.650   9.3767   76.381   9.6578 7.269028 13.46093 
1 1 1  -16    6   80 o  152.003   5.0704  159.201   10.440  158.275   14.944  160.084   14.592  151.533   7.2774  152.472   7.0623 -0.9389648 10.14084 
1 1 1  -16    6   81 o  119.589   5.4431   99.061   8.8077   92.765   12.444  105.382   12.468  115.699   7.9369  123.479   7.4510 -7.780632 10.88629 
1 1 1  -16    6   82 o   93.227   7.2800   59.318   8.7851   68.427   15.225   54.771   10.756   97.955   11.470   88.499   8.9690 9.456108 14.55999 
1 1 1  -16    6   83 o   73.129   9.1693   42.878   8.0979   29.729   13.590   50.117   10.083   61.682   16.090   84.576   8.7979 -22.89364 18.33858 
1 1 1  -16    6   84 o  166.049   6.1546  190.127   13.086  204.661   22.883  183.063   15.952  169.780   9.9458  162.318   7.2523 7.462402 12.30918 
1 1 1  -16    6   85 o   54.692   10.680   22.140   8.7176   35.789   13.164   11.478   11.634   67.836   14.741   41.548   15.459 26.28818 21.36077 
1 1 1  -16    6   86 o   55.869   11.003   24.626   8.7079   30.065   12.819   19.964   11.866   61.433   15.421   50.306   15.698 11.12654 22.00534 
1 1 1  -16    6   87 o   33.315   14.239   2.3949   11.401   2.3949   11.401   0.0000   0.0000   33.315   14.239  ?   ?       ?      ? 
1 1 1  -16    6   88 o  113.869   11.094   94.980   17.119   94.980   17.119   0.0000   0.0000  113.869   11.094  ?   ?       ?      ? 
1 1 1  -16    6   89 o  127.702   10.751  119.399   18.606  119.399   18.606   0.0000   0.0000  127.702   10.751  ?   ?       ?      ? 
1 1 1  -16    7    1 o  375.591   5.3161  955.975   27.051  931.128   37.776  982.127   38.754  370.585   7.5221  380.598   7.5140 -10.01376 10.63214 
1 1 1  -16    7    2 o  355.987   5.1720  859.160   24.950  855.160   35.174  863.211   35.395  355.153   7.3085  356.821   7.3201 -1.667633 10.34393 
1 1 1  -16    7    3 o  546.062   8.4618  2035.92   58.962  1986.84  101.722  2060.75   72.357  540.926   13.877  551.199   9.6870 -10.27338 16.92357 
1 1 1  -16    7    4 o  795.329   11.437  4339.77  116.844  4166.24  198.000  4432.50  144.731  782.630   18.669  808.029   13.218 -25.39844 22.87457 
1 1 1  -16    7    5 o  460.289   6.0456  1436.48   37.707  1455.91   53.710  1417.61   52.949  463.356   8.5537  457.222   8.5458 6.134277 12.09115 
1 1 1  -16    7    6 f  569.330   8.5266  2220.81   62.755  2272.48   78.325  2128.17  104.878  578.810   9.9857  559.850   13.824 18.95990 17.05323 
1 1 1  -16    7    7 o  241.217   5.1949  390.835   16.398  380.901   20.538  408.301   27.234  237.046   6.3935  245.389   8.1898 -8.342468 10.38989 
1 1 1  -16    7    8 o  140.325   4.4439  131.460   7.9648  127.629   9.6858  139.460   13.997  137.225   5.2086  143.425   7.2017 -6.199951 8.887878 
1 1 1  -16    7    9 o  229.230   4.8629  354.479   13.710  352.097   16.246  360.375   25.558  227.923   5.2598  230.538   8.1808 -2.614410 9.725777 
1 1 1  -16    7   10 o  560.558   8.0940  2130.62   61.484  2130.62   61.484   0.0000   0.0000  560.558   8.0940  ?   ?       ?      ? 
1 1 1  -16    7   11 o  459.332   6.8607  1429.08   37.595  1426.89   43.774  1435.23   73.396  458.775   7.0409  459.889   11.777 -1.113708 13.72132 
1 1 1  -16    7   12 f  783.208   10.501  4197.23   97.658  4230.92  113.700  4102.46  190.693  789.712   10.625  776.704   18.117 13.00848 21.00289 
1 1 1  -16    7   13 o  518.420   7.5618  1869.73   47.264  1928.76   55.854  1720.87   88.699  533.356   7.7278  503.485   13.000 29.87103 15.12358 
1 1 1  -16    7   14 o  345.613   5.8971  836.646   24.767  873.547   29.513  748.797   45.537  358.985   6.0668  332.242   10.114 26.74329 11.79413 
1 1 1  -16    7   15 o  362.753   6.0344  918.977   26.570  955.121   31.596  831.697   49.099  375.368   6.2114  350.138   10.348 25.22931 12.06889 
1 1 1  -16    7   16 o  568.427   8.0217  2150.95   53.449  2111.00   61.411  2275.72  108.539  557.958   8.1220  578.896   13.836 -20.93835 16.04346 
1 1 1  -16    7   17 o  869.899   11.484  4980.88  114.935  4842.98  130.642  5453.16  241.763  844.785   11.412  895.014   19.933 -50.22980 22.96868 
1 1 1  -16    7   18 o  340.257   7.2520  784.950   33.439  784.950   33.439   0.0000   0.0000  340.257   7.2520  ?   ?       ?      ? 
1 1 1  -16    7   19 o  325.356   5.0148  716.570   22.093  751.178   31.980  684.974   30.557  332.859   7.0899  317.853   7.0942 15.00641 10.02962 
1 1 1  -16    7   20 o  493.920   7.8552  1629.69   48.811  1724.73   88.254  1587.80   58.587  503.998   12.922  483.842   8.9354 20.15619 15.71035 
1 1 1  -16    7   21 o  423.621   7.1846  1228.70   38.750  1184.60   66.937  1250.93   47.522  417.753   11.824  429.490   8.1651 -11.73669 14.36926 
1 1 1  -16    7   22 o  529.473   6.6972  1899.57   48.024  1968.52   69.383  1836.16   66.538  538.683   9.5047  520.263   9.4377 18.42084 13.39441 
1 1 1  -16    7   23 o  173.251   4.4445  203.682   10.423  198.473   14.983  208.565   14.508  171.101   6.4622  175.402   6.1037 -4.301239 8.889009 
1 1 1  -16    7   24 o  775.516   9.0745  4080.58   95.320  4205.98  137.453  3964.40  132.300  786.976   12.889  764.056   12.778 22.91986 18.14909 
1 1 1  -16    7   25 o  458.661   7.3429  1418.16   43.204  1398.85   52.963  1456.57   74.694  454.133   8.6061  463.189   11.900 -9.055969 14.68581 
1 1 1  -16    7   26 o  282.024   5.7116  537.706   20.869  533.620   25.904  545.262   35.225  280.540   6.8137  283.507   9.1687 -2.967072 11.42329 
1 1 1  -16    7   27 o  270.333   6.7597  495.504   24.763  495.504   24.763   0.0000   0.0000  270.333   6.7597  ?   ?       ?      ? 
1 1 1  -16    7   28 o  354.958   6.3294  849.351   28.962  837.490   35.689  872.227   49.563  351.418   7.4943  358.499   10.202 -7.080719 12.65876 
1 1 1  -16    7   29 o  343.914   5.2192  802.018   24.322  786.530   34.207  817.852   34.588  340.556   7.4121  347.273   7.3498 -6.717346 10.43834 
1 1 1  -16    7   30 o  236.435   4.6240  379.065   14.814  374.627   20.967  383.489   20.934  235.052   6.5826  237.818   6.4958 -2.766312 9.247980 
1 1 1  -16    7   31 o  567.323   7.0800  2184.69   54.431  2180.15   77.022  2189.21   76.933  566.732   10.029  567.913   9.9964 -1.180359 14.16008 
1 1 1  -16    7   32 o  713.550   12.030  3459.22  116.322  3459.22  116.322   0.0000   0.0000  713.550   12.030  ?   ?       ?      ? 
1 1 1  -16    7   33 o  245.786   4.7034  409.745   15.663  406.015   22.313  413.369   21.991  244.681   6.7292  246.892   6.5730 -2.211288 9.406763 
1 1 1  -16    7   34 o  245.271   6.7400  407.998   22.402  407.998   22.402   0.0000   0.0000  245.271   6.7400  ?   ?       ?      ? 
1 1 1  -16    7   35 o  812.458   9.4956  4489.98  104.540  4536.62  148.834  4444.56  146.869  816.617   13.449  808.299   13.408 8.317871 18.99129 
1 1 1  -16    7   36 o  377.084   5.5024  964.850   28.114  945.738   39.687  984.102   39.831  373.331   7.8446  380.837   7.7179 -7.505646 11.00474 
1 1 1  -16    7   37 o  219.422   6.4693  326.562   19.236   0.0000   0.0000  326.562   19.236  ?   ?   219.422   6.4693      ?      ? 
1 1 1  -16    7   38 o  253.231   6.6425  435.006   22.794   0.0000   0.0000  435.006   22.794  ?   ?   253.231   6.6425      ?      ? 
1 1 1  -16    7   39 o  328.717   5.1790  732.383   23.056  763.309   33.268  703.800   31.983  335.387   7.3198  322.047   7.3285 13.33939 10.35793 
1 1 1  -16    7   40 o  586.147   7.3035  2334.62   58.003  2288.14   81.206  2383.02   82.877  580.193   10.328  592.101   10.329 -11.90723 14.60696 
1 1 1  -16    7   41 o  234.378   4.7309  372.553   15.021  379.469   21.594  366.069   20.908  236.483   6.7383  232.274   6.6425 4.208481 9.461883 
1 1 1  -16    7   42 o  434.386   5.9715  1281.57   35.150  1282.49   49.882  1280.66   49.541  434.538   8.4709  434.234   8.4189 0.3038025 11.94297 
1 1 1  -16    7   43 o  178.226   5.9239  217.670   13.298  221.044   16.140  210.540   23.464  180.479   6.5993  175.973   9.8397 4.506363 11.84779 
1 1 1  -16    7   44 o  164.653   5.9693  182.098   12.381  178.635   14.900  189.819   22.252  162.231   6.7777  167.074   9.8281 -4.842987 11.93856 
1 1 1  -16    7   45 o  364.856   5.4566  903.869   26.975  881.509   37.844  926.963   38.459  360.266   7.7516  369.446   7.6819 -9.179443 10.91323 
1 1 1  -16    7   46 o  145.403   4.7980  143.429   9.4504  146.886   13.599  140.200   13.142  147.094   6.8223  143.711   6.7484 3.383881 9.596073 
1 1 1  -16    7   47 o  164.628   4.7176  183.730   10.515  190.013   15.274  178.070   14.498  167.297   6.7371  161.960   6.6057 5.337082 9.435264 
1 1 1  -16    7   48 o  345.821   5.3371  812.400   25.010  799.369   35.267  825.583   35.472  343.027   7.5868  348.615   7.5086 -5.588531 10.67425 
1 1 1  -16    7   49 o  173.359   4.7349  203.961   11.120  210.522   15.925  197.717   15.535  176.080   6.6742  170.639   6.7180 5.441422 9.469754 
1 1 1  -16    7   50 o  421.370   5.9257  1207.06   33.833  1221.81   48.292  1192.83   47.414  423.893   8.4069  418.846   8.3534 5.047394 11.85143 
1 1 1  -16    7   51 o  149.604   6.0167  144.746   11.466  174.092   20.750  131.848   13.757  159.908   9.5757  139.301   7.2875 20.60640 12.03339 
1 1 1  -16    7   52 o  391.867   11.535  1048.10   61.257  1048.10   61.257   0.0000   0.0000  391.867   11.535  ?   ?       ?      ? 
1 1 1  -16    7   53 o  204.805   9.7384  285.762   27.028  285.762   27.028   0.0000   0.0000  204.805   9.7384  ?   ?       ?      ? 
1 1 1  -16    7   54 o  187.930   5.8889  242.583   14.100  233.499   24.303  247.193   17.312  185.115   9.6881  190.746   6.6975 -5.631134 11.77777 
1 1 1  -16    7   55 o  291.054   5.0616  575.825   19.963  577.073   28.364  574.601   28.102  291.363   7.1839  290.745   7.1325 0.6180420 10.12325 
1 1 1  -16    7   56 o  313.480   5.2025  668.108   22.099  676.092   31.514  660.385   30.997  315.320   7.3752  311.641   7.3397 3.678802 10.40505 
1 1 1  -16    7   57 o  218.666   4.8198  324.228   14.264  346.598   20.730  304.113   19.657  225.816   6.7743  211.516   6.8579 14.30046 9.639610 
1 1 1  -16    7   58 o  310.485   5.2052  655.580   21.897  662.418   31.315  649.037   30.631  312.062   7.4051  308.908   7.3172 3.153809 10.41046 
1 1 1  -16    7   59 o  124.375   7.7823  105.649   13.110  102.206   18.188  109.372   18.913  122.271   10.977  126.479   11.035 -4.208221 15.56467 
1 1 1  -16    7   60 o  283.278   5.1386  544.488   19.700  577.469   28.751  515.304   27.046  291.340   7.2824  275.217   7.2517 16.12308 10.27720 
1 1 1  -16    7   61 o  244.058   5.0050  405.197   16.551  406.188   23.606  404.239   23.213  244.344   7.1290  243.772   7.0269 0.5727692 10.01004 
1 1 1  -16    7   62 o  394.209   5.8334  1058.83   31.161  1044.12   43.856  1073.83   44.283  391.438   8.2677  396.979   8.2317 -5.540894 11.66687 
1 1 1  -16    7   63 o  159.566   5.1083  173.335   11.028  160.804   15.478  186.254   15.717  153.686   7.4320  165.445   7.0102 -11.75879 10.21656 
1 1 1  -16    7   64 o  338.740   7.6590  783.674   35.051  701.909   48.350  874.242   50.886  320.061   11.148  357.420   10.506 -37.35889 15.31809 
1 1 1  -16    7   65 o  201.597   10.207  278.110   27.886  278.110   27.886   0.0000   0.0000  201.597   10.207  ?   ?       ?      ? 
1 1 1  -16    7   66 o  221.635   5.0107  334.272   15.043  343.775   21.653  325.405   20.916  224.673   7.1117  218.596   7.0606 6.077347 10.02142 
1 1 1  -16    7   67 o  213.103   7.1660  309.412   20.694  309.412   20.694   0.0000   0.0000  213.103   7.1660  ?   ?       ?      ? 
1 1 1  -16    7   68 o  234.718   6.1940  382.451   18.518  359.017   31.695  394.595   22.817  228.798   10.223  240.638   6.9970 -11.83975 12.38791 
1 1 1  -16    7   69 o  241.247   5.0708  396.342   16.564  410.739   24.036  383.323   22.857  245.401   7.2279  237.093   7.1141 8.307175 10.14159 
1 1 1  -16    7   70 o  110.282   6.9074   85.433   9.9508   92.110   12.809   75.271   15.802  116.062   8.1443  104.502   11.159 11.55976 13.81475 
1 1 1  -16    7   71 o   88.838   7.6317   54.135   8.9712   53.110   11.462   55.757   14.413   87.917   9.6208   89.760   11.850 -1.842529 15.26343 
1 1 1  -16    7   72 o  189.467   5.0199  245.232   12.881  246.772   18.567  243.804   17.886  190.016   7.2105  188.919   6.9863 1.096237 10.03985 
1 1 1  -16    7   73 o  249.173   6.3292  423.321   20.020  416.764   24.295  437.193   35.337  246.811   7.2640  251.534   10.367 -4.723068 12.65844 
1 1 1  -16    7   74 o  121.497   5.7741  101.400   9.4986  106.727   13.490   96.162   13.377  124.698   7.9830  118.295   8.3446 6.402817 11.54822 
1 1 1  -16    7   75 o   62.699   8.6073   28.378   7.0295   28.345   10.367   28.405   9.5640   62.525   12.670   62.872   11.654 -0.3472481 17.21457 
1 1 1  -16    7   76 o  151.067   6.4908  161.171   12.281  148.790   21.554  167.124   14.945  146.048   10.890  156.086   7.0656 -10.03761 12.98158 
1 1 1  -16    7   77 f  107.821   5.7717   80.318   8.4139   78.443   12.232   82.003   11.591  106.549   8.4719  109.092   7.8408 -2.542534 11.54348 
1 1 1  -16    7   78 o  102.949   5.8309   73.043   8.1199   77.983   11.919   68.765   11.092  106.176   8.2837   99.722   8.2082 6.453880 11.66170 
1 1 1  -16    7   79 o   98.990   5.8887   68.365   7.8475   62.088   11.383   74.051   10.834   94.474   8.8910  103.506   7.7237 -9.031288 11.77736 
1 1 1  -16    7   80 f   79.727   6.6360   44.440   7.1662   45.977   10.322   43.009   9.9571   81.053   9.3973   78.400   9.3720 2.652649 13.27192 
1 1 1  -16    7   81 f  126.647   6.4674  107.925   10.490  126.283   18.655   99.436   12.685  133.643   10.301  119.650   7.8237 13.99373 12.93487 
1 1 1  -16    7   82 o   49.570   9.0178   19.910   7.3267   1.3406   12.429   29.798   9.0701   34.366   14.782   64.774   10.333 -30.40825 18.03564 
1 1 1  -16    7   83 o   75.340   8.2883   39.546   8.0596   46.240   14.073   36.279   9.8316   79.312   13.094   71.369   10.166 7.942398 16.57668 
1 1 1  -16    7   84 o   69.541   8.9542   34.611   7.8193   43.362   13.465   30.159   9.6046   75.421   13.678   63.661   11.559 11.75949 17.90841 
1 1 1  -16    7   85 o   68.120   14.989   36.593   13.462   36.593   13.462   0.0000   0.0000   68.120   14.989  ?   ?       ?      ? 
1 1 1  -16    7   86 o   65.473   15.028   34.155   13.051   34.155   13.051   0.0000   0.0000   65.473   15.028  ?   ?       ?      ? 
1 1 1  -16    7   87 o   59.556   15.925   29.081   13.102   29.081   13.102   0.0000   0.0000   59.556   15.925  ?   ?       ?      ? 
1 1 1  -16    7   88 o   99.759   11.973   74.233   16.186   74.233   16.186   0.0000   0.0000   99.759   11.973  ?   ?       ?      ? 
1 1 1  -16    8    1 o  635.489   7.6711  2739.73   66.048  2798.79   94.528  2683.39   92.323  642.177   10.862  628.800   10.835 13.37640 15.34211 
1 1 1  -16    8    2 o  746.060   10.833  3821.96  103.764  3661.21  175.903  3907.74  128.503  733.506   17.696  758.614   12.500 -25.10736 21.66600 
1 1 1  -16    8    3 o  260.661   4.5939  460.554   16.225  451.362   22.793  469.997   23.103  258.024   6.5185  263.298   6.4748 -5.273590 9.187765 
1 1 1  -16    8    4 o  731.351   8.6239  3630.45   85.457  3692.93  122.124  3570.50  119.624  737.512   12.219  725.190   12.173 12.32227 17.24775 
1 1 1  -16    8    5 o  736.492   8.6735  3682.22   86.559  3729.31  123.307  3636.48  121.539  741.132   12.277  731.852   12.255 9.279846 17.34697 
1 1 1  -16    8    6 o  323.539   5.0228  709.572   22.019  692.985   30.893  726.698   31.391  319.696   7.1308  327.382   7.0758 -7.685852 10.04561 
1 1 1  -16    8    7 f  507.466   7.3180  1698.50   43.491  1652.52   49.851  1844.99   88.982  493.668   7.4517  521.263   12.597 -27.59570 14.63594 
1 1 1  -16    8    8 o  251.027   5.3793  427.134   18.299  427.134   18.299   0.0000   0.0000  251.027   5.3793  ?   ?       ?      ? 
1 1 1  -16    8    9 o  493.815   7.2398  1663.09   42.703  1672.71   49.848  1636.57   82.780  496.677   7.4061  490.952   12.442 5.724335 14.47966 
1 1 1  -16    8   10 o  301.720   5.6968  614.151   22.306  606.383   27.713  628.443   37.590  299.061   6.8382  304.378   9.1132 -5.316833 11.39351 
1 1 1  -16    8   11 o  715.994   9.7463  3538.33   83.512  3604.23   97.926  3362.62  159.913  728.855   9.9146  703.132   16.783 25.72302 19.49259 
1 1 1  -16    8   12 o  762.786   10.221  3887.83   90.993  3825.94  104.400  4083.46  185.602  750.901   10.260  774.672   17.680 -23.77087 20.44122 
1 1 1  -16    8   13 o  259.492   5.0616  448.466   16.091  438.045   18.943  475.476   30.496  254.210   5.4989  264.773   8.4995 -10.56270 10.12318 
1 1 1  -16    8   14 f  779.211   10.426  4049.32   94.678  3977.71  108.507  4277.77  193.809  765.621   10.458  792.800   18.040 -27.17871 20.85189 
1 1 1  -16    8   15 o  655.243   8.9877  2860.30   68.878  2807.85   79.060  3025.48  140.310  643.375   9.0679  667.111   15.521 -23.73602 17.97540 
1 1 1  -16    8   16 o  689.219   9.4132  3218.85   76.726  3210.78   88.902  3242.41  151.891  687.945   9.5362  690.495   16.233 -2.550110 18.82647 
1 1 1  -16    8   17 o  779.107   11.100  4141.47  111.140  4172.81  137.242  4081.74  189.436  783.840   12.920  774.374   18.052 9.466492 22.19951 
1 1 1  -16    8   18 o  785.257   11.166  4171.60  111.937  4129.92  136.676  4256.52  195.081  779.789   12.934  790.726   18.206 -10.93732 22.33233 
1 1 1  -16    8   19 f  730.797   12.263  3589.55  120.578  4020.96  184.455  3267.63  159.336  768.597   17.710  692.997   16.967 75.60028 24.52553 
1 1 1  -16    8   20 o  634.789   9.3614  2718.45   76.025  2680.67   92.936  2794.86  132.181  628.434   10.913  641.143   15.214 -12.70886 18.72281 
1 1 1  -16    8   21 o  168.859   5.0841  191.840   11.332  186.905   14.386  199.908   18.395  166.035   6.3938  171.684   7.9065 -5.649918 10.16823 
1 1 1  -16    8   22 o  224.473   4.5133  341.612   13.727  342.750   19.606  340.518   19.225  224.838   6.4349  224.108   6.3303 0.7306366 9.026660 
1 1 1  -16    8   23 o  318.936   4.9883  689.769   21.558  690.653   30.688  688.907   30.290  319.136   7.0960  318.736   7.0128 0.4003601 9.976620 
1 1 1  -16    8   24 o  134.910   4.6018  123.552   8.3987  120.578   12.151  126.273   11.622  133.350   6.7239  136.469   6.2845 -3.119186 9.203524 
1 1 1  -16    8   25 o  580.607   8.9002  2307.53   66.129  2343.69   81.466  2237.68  113.229  587.596   10.231  573.618   14.566 13.97791 17.80038 
1 1 1  -16    8   26 o  810.473   11.624  4469.84  120.113  4464.74  146.802  4480.17  208.917  810.441   13.367  810.505   19.021 -0.6384277E-01 23.24806 
1 1 1  -16    8   27 o  362.648   5.3496  891.694   26.281  859.860   36.797  924.842   37.549  356.041   7.6266  369.256   7.5039 -13.21500 10.69919 
1 1 1  -16    8   28 o  261.371   4.7407  462.804   16.781  477.556   24.246  449.238   23.250  265.364   6.7423  257.379   6.6661 7.985413 9.481372 
1 1 1  -16    8   29 o  459.376   6.1261  1431.56   38.128  1456.97   54.587  1407.35   53.280  463.353   8.6935  455.400   8.6336 7.952515 12.25215 
1 1 1  -16    8   30 o  702.281   8.3756  3350.82   79.696  3408.04  114.013  3296.16  111.444  708.135   11.881  696.427   11.809 11.70807 16.75121 
1 1 1  -16    8   31 o  638.057   7.7618  2765.51   67.106  2801.03   95.764  2731.23   94.063  642.078   11.006  634.036   10.948 8.041992 15.52368 
1 1 1  -16    8   32 o  177.920   5.5141  216.968   12.539  208.169   21.466  221.526   15.450  175.109   9.0458  180.730   6.3082 -5.620499 11.02816 
1 1 1  -16    8   33 o  239.077   5.5896  386.891   17.117  390.947   29.567  384.846   20.992  239.957   9.0928  238.197   6.5033 1.759430 11.17910 
1 1 1  -16    8   34 o  360.431   6.4753  865.203   29.649  930.556   52.816  835.133   35.826  370.049   10.532  350.813   7.5359 19.23584 12.95068 
1 1 1  -16    8   35 o  322.084   7.2931  703.938   31.832  703.938   31.832   0.0000   0.0000  322.084   7.2931  ?   ?       ?      ? 
1 1 1  -16    8   36 o  318.145   6.3196  689.096   25.471  682.664   44.733  692.181   30.985  316.911   10.416  319.380   7.1591 -2.468567 12.63917 
1 1 1  -16    8   37 o  156.848   4.7186  167.109   10.016  162.287   14.409  171.617   13.933  154.649   6.8754  159.046   6.4645 -4.397110 9.437229 
1 1 1  -16    8   38 f  443.433   6.0394  1331.18   36.232  1419.10   53.066  1254.41   49.591  457.101   8.5669  429.765   8.5151 27.33566 12.07883 
1 1 1  -16    8   39 o  209.598   4.6262  298.305   13.130  287.450   18.664  308.942   18.476  205.813   6.6920  213.383   6.3893 -7.570099 9.252386 
1 1 1  -16    8   40 o  302.890   5.0187  622.417   20.593  635.267   29.586  610.340   28.681  305.918   7.1368  299.862   7.0582 6.056061 10.03750 
1 1 1  -16    8   41 o  323.491   5.1620  710.273   22.625  720.891   32.372  700.135   31.633  325.851   7.3311  321.131   7.2691 4.719757 10.32395 
1 1 1  -16    8   42 o  242.233   5.9877  400.378   18.429  403.586   22.501  393.841   32.122  243.834   6.8096  240.632   9.8508 3.202133 11.97537 
1 1 1  -16    8   43 o  120.440   5.2546   99.324   8.5007   86.193   12.217  111.647   11.835  112.638   8.0041  128.242   6.8103 -15.60424 10.50927 
1 1 1  -16    8   44 o  532.041   6.8303  1925.67   49.245  1931.62   69.908  1919.81   69.380  532.851   9.6814  531.230   9.6376 1.620605 13.66061 
1 1 1  -16    8   45 o  334.892   5.2767  761.816   23.946  763.162   34.006  760.492   33.726  335.183   7.4868  334.602   7.4380 0.5815430 10.55344 
1 1 1  -16    8   46 o  311.824   5.1218  660.260   21.639  671.964   30.947  649.064   30.269  314.525   7.2607  309.123   7.2258 5.402130 10.24354 
1 1 1  -16    8   47 o  302.840   5.0893  622.767   20.874  593.620   29.232  653.092   29.817  295.602   7.2974  310.078   7.0960 -14.47617 10.17867 
1 1 1  -16    8   48 o  127.043   5.1675  108.927   8.8481  126.323   13.061   94.173   12.029  136.365   7.0680  117.720   7.5402 18.64559 10.33498 
1 1 1  -16    8   49 o  259.344   5.7568  436.735   19.231  395.861   23.331  523.351   33.964  241.379   7.1328  277.309   9.0380 -35.93022 11.51361 
1 1 1  -16    8   50 o  578.320   8.8932  2290.89   66.148  2300.94   81.709  2271.78  112.681  580.980   10.378  575.659   14.444 5.320313 17.78631 
1 1 1  -16    8   51 o  307.994   5.1953  644.695   21.679  625.970   30.474  663.882   30.848  303.459   7.4105  312.530   7.2836 -9.071594 10.39069 
1 1 1  -16    8   52 o  440.191   7.5759  1344.11   42.787  1251.39   72.019  1394.69   53.193  427.732   12.425  452.650   8.6718 -24.91843 15.15189 
1 1 1  -16    8   53 o  259.971   4.9525  459.295   17.444  462.900   24.969  455.858   24.379  260.961   7.0607  258.982   6.9466 1.979156 9.904983 
1 1 1  -16    8   54 o   98.074   5.7761   65.294   7.6661   68.759   11.205   62.245   10.512  100.511   8.2262   95.637   8.1107 4.873642 11.55225 
1 1 1  -16    8   55 f  254.553   4.9333  439.948   17.005  455.965   24.629  425.356   23.508  258.970   7.0180  250.137   6.9351 8.833237 9.866517 
1 1 1  -16    8   56 o  156.851   6.2072  168.066   12.201  166.449   21.853  168.798   14.707  156.135   10.328  157.567   6.8877 -1.432281 12.41435 
1 1 1  -16    8   57 o  256.271   10.202  448.458   35.430   0.0000   0.0000  448.458   35.430  ?   ?   256.271   10.202      ?      ? 
1 1 1  -16    8   58 o  202.557   7.1333  280.254   19.556  298.697   27.839  262.287   27.477  209.179   9.8209  195.936   10.348 13.24329 14.26667 
1 1 1  -16    8   59 o  337.140   6.6099  785.662   28.951  813.343   36.487  738.613   47.569  345.622   7.7903  328.658   10.681 16.96326 13.21984 
1 1 1  -16    8   60 o   86.222   10.520   57.994   11.115   31.208   17.130   77.476   14.609   65.967   18.444  106.477   10.124 -40.50999 21.03985 
1 1 1  -16    8   61 o  253.737   7.2520  438.225   24.936  438.225   24.936   0.0000   0.0000  253.737   7.2520  ?   ?       ?      ? 
1 1 1  -16    8   62 o  262.539   5.0765  468.218   18.041  492.092   26.255  446.859   24.834  268.861   7.2060  256.216   7.1524 12.64581 10.15297 
1 1 1  -16    8   63 f  336.829   5.4425  771.776   24.820  803.766   36.050  742.948   34.222  343.441   7.7458  330.216   7.6476 13.22546 10.88497 
1 1 1  -16    8   64 o  111.460   5.9122   84.884   8.8957   83.380   13.104   86.170   12.115  110.506   8.7503  112.414   7.9530 -1.908081 11.82446 
1 1 1  -16    8   65 o  293.236   5.2103  585.688   20.685  551.170   28.903  621.927   29.615  284.354   7.5008  302.119   7.2337 -17.76459 10.42054 
1 1 1  -16    8   66 o  167.904   5.0822  192.611   11.535  182.782   16.615  201.756   16.026  163.716   7.4892  172.091   6.8721 -8.375137 10.16431 
1 1 1  -16    8   67 o  191.273   6.0577  246.116   14.711  261.705   26.150  238.898   17.794  195.347   9.8783  187.199   7.0143 8.147888 12.11532 
1 1 1  -16    8   68 o   80.809   7.0173   44.834   7.6741   44.911   11.149   44.765   10.579   80.848   10.176   80.771   9.6653 0.7662201E-01 14.03464 
1 1 1  -16    8   69 o   48.841   10.633   16.903   7.7202   18.562   10.014   14.471   12.122   50.811   14.065   46.871   15.951 3.939461 21.26619 
1 1 1  -16    8   70 o  217.227   4.9903  322.060   14.683  331.030   21.167  313.740   20.385  220.131   7.0958  214.324   7.0187 5.806992 9.980580 
1 1 1  -16    8   71 o  119.950   5.6864   98.201   9.2230  106.934   13.539   90.639   12.599  124.913   7.9981  114.988   8.0851 9.924690 11.37272 
1 1 1  -16    8   72 o  122.356   7.5029  107.630   11.457  115.080   14.040   92.783   19.820  129.509   7.9999  115.203   12.695 14.30599 15.00574 
1 1 1  -16    8   73 o   90.856   6.7451   56.882   8.0536   77.081   11.923   39.933   10.922  105.867   8.3108   75.845   10.626 30.02236 13.49020 
1 1 1  -16    8   74 o  252.604   5.1137  437.294   17.495  452.944   25.253  422.851   24.260  256.936   7.2529  248.272   7.2109 8.663971 10.22748 
1 1 1  -16    8   75 o   78.839   9.1365   45.810   8.5390   41.706   15.564   47.576   10.213   74.784   15.850   82.894   9.0920 -8.110130 18.27296 
1 1 1  -16    8   76 o  115.238   5.6343   92.143   8.7361   86.537   12.898   96.894   11.875  111.835   8.5104  118.642   7.3861 -6.807266 11.26864 
1 1 1  -16    8   77 o   76.146   6.9151   40.459   7.0980   40.885   10.614   40.115   9.5471   76.395   10.252   75.897   9.2824 0.4975967 13.83020 
1 1 1  -16    8   78 o  159.809   5.0438  176.324   10.906  173.053   15.777  179.318   15.093  158.298   7.3548  161.319   6.9042 -3.020813 10.08766 
1 1 1  -16    8   79 o   53.518   8.4736   20.172   6.4696   34.090   9.7264   9.1275   8.6643   69.495   10.328   37.542   13.437 31.95303 16.94726 
1 1 1  -16    8   80 f   99.596   7.1018   67.681   8.9927   77.332   16.144   63.338   10.828  103.937   11.462   95.254   8.3888 8.683167 14.20350 
1 1 1  -16    8   81 o  134.111   7.8110  128.278   14.162  118.146   19.308  140.076   20.834  128.370   11.099  139.850   10.993 -11.47989 15.62196 
1 1 1  -16    8   82 o  154.789   6.2437  167.899   12.324  171.786   21.458  165.986   15.054  155.110   10.209  154.468   7.1918 0.6421661 12.48748 
1 1 1  -16    8   83 o   48.438   9.9161   19.033   7.1592   11.197   12.027   23.333   8.9095   41.377   15.651   55.500   12.181 -14.12295 19.83227 
1 1 1  -16    8   84 o   68.266   15.050   36.905   13.548   36.905   13.548   0.0000   0.0000   68.266   15.050  ?   ?       ?      ? 
1 1 1  -16    8   85 o  125.648   10.488  114.531   17.858  114.531   17.858   0.0000   0.0000  125.648   10.488  ?   ?       ?      ? 
1 1 1  -16    8   86 f  101.992   11.160   76.457   15.424   76.457   15.424   0.0000   0.0000  101.992   11.160  ?   ?       ?      ? 
1 1 1  -16    8   87 o   40.931   15.446   11.737   11.698   11.737   11.698   0.0000   0.0000   40.931   15.446  ?   ?       ?      ? 
1 1 1  -16    8   88 o   78.879   14.060   49.264   14.478   49.264   14.478   0.0000   0.0000   78.879   14.060  ?   ?       ?      ? 
1 1 1  -16    9    1 o  615.450   7.5121  2570.08   62.635  2642.85   89.829  2501.23   87.379  623.924   10.624  606.977   10.623 16.94702 15.02423 
1 1 1  -16    9    2 o  148.829   6.1574  150.180   12.418   0.0000   0.0000  150.180   12.418  ?   ?   148.829   6.1574      ?      ? 
1 1 1  -16    9    3 o  626.041   7.6184  2655.88   64.571  2786.79   93.759  2537.76   89.057  640.685   10.799  611.396   10.749 29.28937 15.23675 
1 1 1  -16    9    4 o  493.752   6.3866  1653.90   42.730  1679.16   60.811  1629.27   60.055  497.476   9.0204  490.028   9.0437 7.447357 12.77323 
1 1 1  -16    9    5 o  154.637   4.4925  162.151   9.4132  159.994   13.344  164.289   13.281  153.613   6.4101  155.662   6.2961 -2.049759 8.985004 
1 1 1  -16    9    6 o  522.427   8.3173  1862.44   55.092  1879.07   67.143  1828.17   96.379  526.230   9.4155  518.624   13.713 7.605408 16.63460 
1 1 1  -16    9    7 o  759.449   10.867  3948.77  106.335  4007.55  131.929  3839.79  179.645  768.042   12.676  750.856   17.655 17.18604 21.73442 
1 1 1  -16    9    8 o  170.280   4.7525  199.026   10.197  203.362   12.399  189.971   17.921  173.204   5.2827  167.356   7.9018 5.847641 9.505062 
1 1 1  -16    9    9 o  755.345   10.181  3864.55   90.648  3849.62  104.825  3908.80  180.505  753.100   10.271  757.590   17.582 -4.489319 20.36258 
1 1 1  -16    9   10 f  521.108   7.5572  1852.75   47.038  1863.27   54.907  1823.73   91.184  524.138   7.7304  518.078   12.988 6.059631 15.11448 
1 1 1  -16    9   11 o  148.113   4.9316  153.891   9.2243  164.392   11.393  133.907   15.716  155.725   5.3988  140.500   8.2544 15.22473 9.863220 
1 1 1  -16    9   12 o  498.588   7.2987  1669.72   43.171  1651.19   49.999  1724.01   85.583  493.422   7.4775  503.755   12.537 -10.33328 14.59736 
1 1 1  -16    9   13 o  642.292   8.8841  2798.03   67.545  2793.07   78.318  2812.45  133.451  641.600   9.0077  642.984   15.316 -1.383972 17.76820 
1 1 1  -16    9   14 o  144.085   4.8441  142.348   8.8926  145.521   10.925  136.117   15.307  146.512   5.5027  141.658   7.9739 4.853912 9.688281 
1 1 1  -16    9   15 o  631.069   8.7345  2660.81   64.644  2617.45   74.337  2795.33  130.928  621.107   8.8320  641.030   15.072 -19.92297 17.46906 
1 1 1  -16    9   16 o  311.408   5.6435  675.135   21.511  700.044   25.701  616.875   39.306  321.331   5.9023  301.485   9.6208 19.84595 11.28702 
1 1 1  -16    9   17 f  583.970   8.8604  2359.72   67.590  2494.79   86.353  2146.07  108.602  606.186   10.512  561.753   14.266 44.43237 17.72083 
1 1 1  -16    9   18 o   94.995   6.2275   61.020   8.0022   66.051   11.699   56.596   10.970   98.663   8.7498   91.328   8.8640 7.335632 12.45505 
1 1 1  -16    9   19 o  615.739   8.5736  2531.62   61.931  2488.58   71.217  2665.13  125.433  605.606   8.6778  625.871   14.789 -20.26501 17.14718 
1 1 1  -16    9   20 o  494.228   7.3011  1662.98   43.133  1668.11   50.339  1648.83   83.664  495.906   7.4907  492.551   12.534 3.355011 14.60219 
1 1 1  -16    9   21 o  335.318   5.7985  767.860   23.611  774.229   27.850  751.584   44.522  337.908   6.0820  332.728   9.8742 5.179169 11.59697 
1 1 1  -16    9   22 f  245.818   5.1059  406.003   15.446  400.753   18.283  419.094   28.869  243.122   5.5495  248.514   8.5723 -5.392242 10.21179 
1 1 1  -16    9   23 o  322.793   5.9870  706.533   26.189  706.533   26.189   0.0000   0.0000  322.793   5.9870  ?   ?       ?      ? 
1 1 1  -16    9   24 o  496.114   7.9675  1684.14   50.527  1708.62   62.156  1636.43   86.758  501.704   9.1423  490.524   13.052 11.18008 15.93509 
1 1 1  -16    9   25 o  128.740   4.6470  112.281   8.0869  114.174   11.908  110.660   11.017  129.742   6.7730  127.738   6.3645 2.004044 9.294082 
1 1 1  -16    9   26 o  234.216   8.9210  372.392   28.315  372.392   28.315   0.0000   0.0000  234.216   8.9210  ?   ?       ?      ? 
1 1 1  -16    9   27 o  312.909   9.8328  664.998   41.694  664.998   41.694   0.0000   0.0000  312.909   9.8328  ?   ?       ?      ? 
1 1 1  -16    9   28 o  201.788   5.4352  278.405   14.025  269.917   24.052  282.779   17.264  199.388   8.9016  204.188   6.2391 -4.800430 10.87032 
1 1 1  -16    9   29 o  295.421   5.9299  592.460   22.424  592.411   38.684  592.485   27.518  295.320   9.6662  295.521   6.8715 -0.2005920 11.85975 
1 1 1  -16    9   30 o  256.380   4.7425  445.760   16.469  451.173   23.709  440.712   22.895  257.880   6.7845  254.880   6.6285 2.999756 9.485059 
1 1 1  -16    9   31 o  374.660   7.7701  952.776   39.450  952.776   39.450   0.0000   0.0000  374.660   7.7701  ?   ?       ?      ? 
1 1 1  -16    9   32 o   85.033   5.6991   48.858   6.5456   51.857   9.7491   46.396   8.8324   87.394   8.2319   82.671   7.8839 4.722641 11.39823 
1 1 1  -16    9   33 o  279.524   4.8513  530.278   18.373  525.405   26.171  535.013   25.799  278.252   6.9407  280.795   6.7801 -2.542419 9.702690 
1 1 1  -16    9   34 o  201.007   5.7606  273.112   14.430  277.559   26.287  271.194   17.263  202.087   9.5987  199.927   6.3720 2.160385 11.52118 
1 1 1  -16    9   35 o  235.174   5.8777  369.965   17.202  389.926   31.686  361.625   20.483  239.497   9.7632  230.850   6.5476 8.646255 11.75544 
1 1 1  -16    9   36 o  291.368   4.9367  574.522   19.463  612.413   28.445  541.164   26.689  300.375   6.9881  282.362   6.9750 18.01205 9.873414 
1 1 1  -16    9   37 o  111.464   5.1869   85.428   7.7308   71.813   11.181   97.897   10.701  102.825   8.0244  120.104   6.5746 -17.27846 10.37380 
1 1 1  -16    9   38 o  180.251   4.6226  220.078   11.279  229.745   16.434  211.472   15.507  183.982   6.5917  176.519   6.4826 7.463104 9.245246 
1 1 1  -16    9   39 o  307.185   5.0576  638.935   21.024  677.584   30.715  604.864   28.839  315.900   7.1750  298.471   7.1300 17.42883 10.11519 
1 1 1  -16    9   40 o   95.097   7.5045   63.106   8.8259   65.529   10.629   57.725   15.841   98.209   7.9862   91.985   12.708 6.223854 15.00893 
1 1 1  -16    9   41 o   84.580   7.9393   48.780   8.3702   48.840   10.038   48.644   15.163   84.757   8.7397   84.402   13.257 0.3547287 15.87855 
1 1 1  -16    9   42 o  229.666   4.7360  357.453   14.725  377.762   21.350  339.026   20.336  235.877   6.6794  223.454   6.7158 12.42288 9.471910 
1 1 1  -16    9   43 o  162.956   4.7664  180.702   10.501  167.932   14.947  193.145   14.755  157.245   7.0146  168.667   6.4553 -11.42221 9.532879 
1 1 1  -16    9   44 o  187.881   4.7066  238.957   11.963  253.424   17.540  226.372   16.359  193.179   6.7002  182.583   6.6119 10.59602 9.413266 
1 1 1  -16    9   45 o  208.759   4.7422  295.342   13.401  310.127   19.520  282.162   18.429  213.688   6.7409  203.831   6.6720 9.857224 9.484493 
1 1 1  -16    9   46 o  283.434   5.9461  541.608   21.892  529.956   27.177  563.140   36.943  279.278   7.1810  287.591   9.4792 -8.312988 11.89213 
1 1 1  -16    9   47 o  515.181   8.1540  1808.16   53.967  1800.25   66.429  1823.52   92.555  514.135   9.5345  516.227   13.230 -2.092224 16.30801 
1 1 1  -16    9   48 o  313.516   6.2746  679.390   25.591  708.797   32.380  630.453   41.771  322.914   7.3996  304.118   10.136 18.79568 12.54926 
1 1 1  -16    9   49 o  338.852   5.3530  780.748   24.579  777.405   34.915  784.032   34.607  338.125   7.6200  339.579   7.5204 -1.453552 10.70607 
1 1 1  -16    9   50 o  285.843   6.2995  561.043   22.810  543.164   39.813  569.781   27.831  282.162   10.412  289.524   7.0936 -7.361877 12.59893 
1 1 1  -16    9   51 o  202.007   5.9806  275.879   15.193  282.956   27.278  272.697   18.293  203.698   9.8821  200.315   6.7390 3.383102 11.96117 
1 1 1  -16    9   52 o  351.596   5.4516  838.595   25.937  890.037   37.924  793.391   35.550  361.692   7.7374  341.500   7.6820 20.19165 10.90321 
1 1 1  -16    9   53 o  151.242   4.9856  155.049   10.198  163.150   15.011  148.105   13.898  154.892   7.1515  147.592   6.9486 7.299744 9.971288 
1 1 1  -16    9   54 o  202.703   4.9111  277.136   13.430  315.735   19.970  245.271   18.145  215.495   6.8386  189.912   7.0505 25.58330 9.822257 
1 1 1  -16    9   55 o  150.677   6.8919  154.356   13.984  160.067   21.145  149.916   18.644  153.094   10.192  148.260   9.2797 4.833984 13.78387 
1 1 1  -16    9   56 o  295.499   7.4874  596.664   29.960  629.509   42.815  565.150   41.938  303.508   10.410  287.490   10.765 16.01770 14.97478 
1 1 1  -16    9   57 o  102.062   6.4278   70.143   8.7027   92.870   13.090   52.141   11.650  116.747   8.2740   87.377   9.8391 29.37006 12.85564 
1 1 1  -16    9   58 o  253.507   4.9928  436.893   17.140  447.151   24.814  427.533   23.703  256.338   7.1433  250.677   6.9775 5.661407 9.985661 
1 1 1  -16    9   59 o   77.630   7.1301   41.899   7.3687   35.851   10.949   46.905   9.9623   72.344   11.169   82.916   8.8663 -10.57180 14.26011 
1 1 1  -16    9   60 o  322.705   5.3413  708.119   23.333  734.858   33.963  684.216   32.111  328.448   7.6306  316.962   7.4759 11.48544 10.68251 
1 1 1  -16    9   61 o  100.123   6.2404   69.021   8.3621   64.104   12.592   72.901   11.185   96.837   9.5953  103.409   7.9814 -6.571831 12.48086 
1 1 1  -16    9   62 o  217.593   6.1218  324.833   16.849  318.825   29.588  327.717   20.498  215.795   10.118  219.392   6.8945 -3.597595 12.24353 
1 1 1  -16    9   63 o  156.568   7.3934  168.123   15.676  175.629   22.212  160.674   22.127  160.089   10.239  153.047   10.669 7.041763 14.78674 
1 1 1  -16    9   64 o  127.550   6.8618  110.794   11.261  109.391   13.857  113.522   19.321  126.581   8.0785  128.520   11.094 -1.938965 13.72352 
1 1 1  -16    9   65 o  186.233   6.1616  239.085   14.472  232.112   25.474  242.408   17.585  183.880   10.223  188.585   6.8812 -4.704590 12.32319 
1 1 1  -16    9   66 o  102.226   7.3236   68.649   9.4080   80.441   17.391   63.770   11.186  107.920   11.892   96.532   8.5512 11.38789 14.64712 
1 1 1  -16    9   67 o  115.495   6.6163   92.463   10.148   96.625   13.281   86.625   15.729  118.815   8.2487  112.175   10.347 6.639450 13.23265 
1 1 1  -16    9   68 o  164.775   5.8917  183.936   12.831  176.867   16.289  195.493   20.829  160.832   7.4739  168.719   9.1100 -7.886230 11.78348 
1 1 1  -16    9   69 o   62.020   8.5119   27.981   6.8896   22.370   10.358   32.434   9.2269   55.456   13.829   68.584   9.9277 -13.12804 17.02388 
1 1 1  -16    9   70 o   64.296   10.561   28.438   8.6144   24.394   10.466   36.931   15.168   57.859   13.581   70.733   16.176 -12.87454 21.12139 
1 1 1  -16    9   71 o  189.357   6.2348  246.281   15.064  244.816   18.415  249.243   26.190  189.032   7.1887  189.682   10.189 -0.6491852 12.46968 
1 1 1  -16    9   72 o  127.552   7.9455  111.887   13.734  111.887   13.734   0.0000   0.0000  127.552   7.9455  ?   ?       ?      ? 
1 1 1  -16    9   73 o   82.473   9.4503   55.321   8.6747   35.971   15.962   63.431   10.334   68.979   17.149   95.968   7.9463 -26.98882 18.90052 
1 1 1  -16    9   74 o   60.485   9.7450   31.627   7.7757   12.473   14.635   39.160   9.1783   45.821   17.281   75.150   9.0127 -29.32855 19.48994 
1 1 1  -16    9   75 o  122.817   5.4541  104.288   9.0410  102.235   13.319  106.042   12.312  121.583   8.0838  124.052   7.3240 -2.468971 10.90818 
1 1 1  -16    9   76 o  130.704   5.3441  118.309   9.4378  113.952   13.720  122.222   13.003  128.299   7.8914  133.107   7.2085 -4.808044 10.68819 
1 1 1  -16    9   77 o  103.723   5.8669   74.319   8.2170   81.006   12.267   68.877   11.067  107.897   8.3897   99.549   8.2034 8.347778 11.73385 
1 1 1  -16    9   78 o   53.092   10.518   20.635   7.4170   24.076   13.456   19.132   8.8894   55.726   16.587   50.458   12.939 5.267696 21.03642 
1 1 1  -16    9   79 o   93.103   8.9822   72.177   9.2853   43.438   16.011   86.742   11.398   74.506   16.310  111.700   7.5298 -37.19352 17.96441 
1 1 1  -16    9   80 o  187.363   6.0955  241.794   14.505  261.165   25.791  232.832   17.542  191.638   9.9313  183.088   7.0703 8.550186 12.19096 
1 1 1  -16    9   81 f   54.669   10.031   24.242   7.2757   19.097   13.219   26.477   8.7144   49.628   16.659   59.709   11.181 -10.08173 20.06287 
1 1 1  -16    9   82 f   75.236   8.6582   41.879   7.9079   43.028   14.228   41.365   9.5125   74.214   14.667   76.257   9.2052 -2.042580 17.31649 
1 1 1  -16    9   83 o   69.555   14.840   38.303   13.562   38.303   13.562   0.0000   0.0000   69.555   14.840  ?   ?       ?      ? 
1 1 1  -16    9   84 o   70.601   14.654   39.556   13.562   39.556   13.562   0.0000   0.0000   70.601   14.654  ?   ?       ?      ? 
1 1 1  -16    9   85 o   51.243   15.951   21.528   12.260   21.528   12.260   0.0000   0.0000   51.243   15.951  ?   ?       ?      ? 
1 1 1  -16    9   86 o   39.205   15.289   9.9418   11.722   9.9418   11.722   0.0000   0.0000   39.205   15.289  ?   ?       ?      ? 
1 1 1  -16    9   87 o   91.846   12.134   63.672   15.103   63.672   15.103   0.0000   0.0000   91.846   12.134  ?   ?       ?      ? 
1 1 1  -16   10    1 o  149.474   5.1311  156.430   10.021  175.746   13.099  129.180   15.559  160.983   6.0046  137.964   8.3221 23.01915 10.26216 
1 1 1  -16   10    2 o  549.441   6.9174  2049.33   51.495  2101.56   73.572  1999.17   72.101  556.305   9.7592  542.576   9.8061 13.72809 13.83486 
1 1 1  -16   10    3 o  409.616   7.2081  1149.49   37.208  1167.10   45.179  1112.38   65.598  414.718   8.0389  404.514   11.967 10.20407 14.41611 
1 1 1  -16   10    4 o  201.934   4.5094  276.484   12.338  272.556   17.274  280.576   17.629  200.471   6.3586  203.397   6.3958 -2.926880 9.018729 
1 1 1  -16   10    5 o  802.149   13.272  4377.19  144.266   0.0000   0.0000  4377.19  144.266  ?   ?   802.149   13.272      ?      ? 
1 1 1  -16   10    6 o  205.748   4.5491  287.090   12.680  277.672   17.851  296.681   18.015  202.340   6.5101  209.156   6.3559 -6.815948 9.098268 
1 1 1  -16   10    7 o  403.860   5.6766  1106.74   31.067  1107.24   43.829  1106.22   44.042  403.955   8.0066  403.765   8.0492 0.1893616 11.35322 
1 1 1  -16   10    8 o  125.570   5.1694  113.696   8.0514  126.919   9.9562   88.709   13.687  136.819   5.3699  114.321   8.8348 22.49783 10.33870 
1 1 1  -16   10    9 o  406.898   6.8417  1140.57   36.192  1186.26   45.703  1063.75   59.267  418.114   8.0662  395.682   11.053 22.43185 13.68337 
1 1 1  -16   10   10 o  213.064   4.8306  292.260   12.725  271.895   14.936  346.187   24.304  200.251   5.5039  225.876   7.9402 -25.62473 9.661273 
1 1 1  -16   10   11 f  790.156   10.616  4242.56   98.886  4232.84  114.413  4271.23  196.595  789.363   10.696  790.948   18.342 -1.585571 21.23256 
1 1 1  -16   10   12 o  196.027   4.9467  264.579   12.129  271.182   14.674  250.336   21.551  199.990   5.4144  192.063   8.2804 7.926849 9.893435 
1 1 1  -16   10   13 o  399.010   6.3941  1099.15   30.912  1122.84   36.539  1039.50   57.973  406.877   6.6270  391.143   10.937 15.73373 12.78825 
1 1 1  -16   10   14 o  556.710   8.4510  2094.08   60.375  2067.38   74.062  2146.96  104.241  551.743   9.9054  561.677   13.695 -9.933960 16.90197 
1 1 1  -16   10   15 o  146.782   6.6423  144.766   12.671  151.594   21.394  141.076   15.727  149.380   10.569  144.184   8.0490 5.195801 13.28458 
1 1 1  -16   10   16 f  201.611   5.2958  278.477   14.124  289.220   18.302  262.659   22.209  206.497   6.5405  196.724   8.3309 9.773361 10.59160 
1 1 1  -16   10   17 o  252.223   5.4324  421.744   17.919  396.134   22.273  468.741   30.173  241.657   6.8013  262.790   8.4727 -21.13307 10.86482 
1 1 1  -16   10   18 o  219.099   5.3438  328.961   15.446  340.911   19.907  310.881   24.487  224.187   6.5524  214.010   8.4435 10.17738 10.68769 
1 1 1  -16   10   19 f  231.259   5.4568  367.785   16.619  385.624   21.434  340.895   26.316  238.430   6.6338  224.088   8.6660 14.34277 10.91365 
1 1 1  -16   10   20 o  296.327   5.8140  593.721   22.483  587.595   28.150  604.512   37.361  294.293   7.0585  298.361   9.2405 -4.067963 11.62796 
1 1 1  -16   10   21 o  390.738   7.9573  1036.24   42.134  1036.24   42.134   0.0000   0.0000  390.738   7.9573  ?   ?       ?      ? 
1 1 1  -16   10   22 o  308.197   5.9070  644.209   24.670  644.209   24.670   0.0000   0.0000  308.197   5.9070  ?   ?       ?      ? 
1 1 1  -16   10   23 o  184.906   4.7691  223.244   11.094  209.778   13.223  255.266   20.390  175.879   5.5480  193.932   7.7587 -18.05319 9.538224 
1 1 1  -16   10   24 o  142.023   4.9440  135.783   9.0130  133.552   11.049  140.220   15.583  140.325   5.8102  143.722   8.0009 -3.397202 9.888004 
1 1 1  -16   10   25 o  640.244   8.8890  2720.90   66.345  2656.49   75.950  2928.39  136.305  625.394   8.9617  655.095   15.354 -29.70081 17.77808 
1 1 1  -16   10   26 o  191.734   4.8148  234.907   11.544  214.297   13.628  287.277   21.723  177.753   5.6575  205.714   7.7924 -27.96194 9.629610 
1 1 1  -16   10   27 o  156.607   4.5637  166.757   9.6593  160.412   14.017  172.496   13.330  153.754   6.7272  159.459   6.1687 -5.704239 9.127373 
1 1 1  -16   10   28 o  193.097   4.5146  253.192   11.800  247.700   16.982  258.319   16.409  191.063   6.5589  195.131   6.2055 -4.067368 9.029246 
1 1 1  -16   10   29 o  244.086   4.6599  404.113   15.403  408.740   22.242  399.849   21.352  245.423   6.6878  242.749   6.4909 2.673157 9.319788 
1 1 1  -16   10   30 o  380.485   5.5232  982.862   28.473  991.038   40.734  975.050   39.815  382.026   7.8683  378.944   7.7533 3.082092 11.04648 
1 1 1  -16   10   31 o  602.332   7.4452  2467.75   60.763  2497.34   86.792  2439.31   85.096  605.863   10.571  598.801   10.487 7.061707 14.89032 
1 1 1  -16   10   32 o  236.928   5.9192  384.939   17.453  372.248   31.468  390.577   20.975  233.953   9.9257  239.902   6.4518 -5.948959 11.83833 
1 1 1  -16   10   33 f  163.851   5.9447  184.920   11.907  176.551   22.060  188.360   14.144  161.098   10.105  166.603   6.2648 -5.505402 11.88943 
1 1 1  -16   10   34 o  432.502   5.9438  1271.00   34.833  1276.53   49.680  1265.65   48.852  433.419   8.4585  431.585   8.3528 1.834808 11.88761 
1 1 1  -16   10   35 o  325.676   5.1668  720.434   22.797  710.522   32.453  730.090   32.031  323.454   7.4040  327.897   7.2085 -4.443329 10.33351 
1 1 1  -16   10   36 f  379.271   5.5419  977.346   28.481  969.203   40.441  985.359   40.117  377.696   7.9013  380.847   7.7731 -3.151703 11.08386 
1 1 1  -16   10   37 o  132.419   4.9400  120.015   8.7933  108.217   12.839  130.439   12.068  126.218   7.5061  138.619   6.4245 -12.40132 9.880074 
1 1 1  -16   10   38 o  201.548   5.9091  275.480   15.101  274.281   18.345  278.001   26.597  200.984   6.7355  202.112   9.7110 -1.128128 11.81823 
1 1 1  -16   10   39 o  379.328   6.9163  980.194   33.385  981.596   40.754  977.335   58.211  380.043   7.9133  378.614   11.346 1.429077 13.83268 
1 1 1  -16   10   40 o  270.944   4.8980  497.085   17.956  528.385   26.283  469.691   24.588  278.916   6.9538  262.973   6.8997 15.94226 9.795979 
1 1 1  -16   10   41 o  224.292   4.7408  340.852   14.390  357.265   21.032  326.407   19.731  229.352   6.7670  219.233   6.6415 10.11908 9.481660 
1 1 1  -16   10   42 o  275.839   4.9250  517.035   18.404  505.099   26.114  528.813   25.942  272.664   7.0673  279.013   6.8611 -6.348755 9.849978 
1 1 1  -16   10   43 o  198.322   5.5454  270.166   14.464  279.613   18.541  255.477   23.119  202.886   6.7439  193.758   8.8048 9.127167 11.09071 
1 1 1  -16   10   44 o  200.139   5.5136  268.045   14.518  255.309   18.254  289.975   23.952  193.843   6.9490  206.435   8.5621 -12.59218 11.02715 
1 1 1  -16   10   45 o  256.130   4.9131  445.867   17.034  418.982   23.942  473.427   24.241  248.291   7.1156  263.968   6.7766 -15.67705 9.826171 
1 1 1  -16   10   46 o  189.640   4.7822  244.882   12.264  232.505   17.613  256.530   17.086  184.958   7.0269  194.323   6.4883 -9.365173 9.564314 
1 1 1  -16   10   47 o  276.894   4.9971  520.807   18.738  530.378   27.099  512.038   25.938  279.319   7.1592  274.470   6.9735 4.848663 9.994207 
1 1 1  -16   10   48 o  349.637   6.7121  831.316   29.711  838.829   52.466  827.769   36.048  350.427   11.048  348.848   7.6253 1.578247 13.42422 
1 1 1  -16   10   49 o  238.908   6.1177  389.957   18.386  385.431   32.689  392.051   22.237  237.660   10.150  240.157   6.8329 -2.497055 12.23548 
1 1 1  -16   10   50 o  529.246   8.3668  1912.07   56.910  1901.73   70.071  1932.11   97.545  527.975   9.7936  530.517   13.568 -2.541748 16.73350 
1 1 1  -16   10   51 o  361.488   6.8299  897.971   31.561  871.721   54.146  911.480   38.842  357.034   11.191  365.943   7.8326 -8.909637 13.65984 
1 1 1  -16   10   52 f  259.142   6.1060  452.905   19.977  470.573   35.714  444.859   24.101  262.524   10.039  255.760   6.9536 6.763962 12.21192 
1 1 1  -16   10   53 o  163.550   10.289  182.758   22.804  182.758   22.804   0.0000   0.0000  163.550   10.289  ?   ?       ?      ? 
1 1 1  -16   10   54 o  138.646   6.8250  127.950   12.082  121.853   14.636  140.994   21.408  133.748   8.0751  143.544   11.005 -9.796280 13.65004 
1 1 1  -16   10   55 o  185.367   6.2955  235.047   14.928  236.438   18.340  232.316   25.697  186.388   7.2611  184.346   10.286 2.042374 12.59095 
1 1 1  -16   10   56 o  259.783   5.0029  458.272   17.589  478.345   25.699  440.583   24.124  265.110   7.1532  254.455   6.9962 10.65491 10.00577 
1 1 1  -16   10   57 o  218.199   4.9318  324.683   14.546  299.615   20.649  349.374   20.493  209.782   7.2636  226.617   6.6731 -16.83531 9.863549 
1 1 1  -16   10   58 o   95.726   6.1255   61.704   7.8863   73.202   11.899   52.697   10.531  103.588   8.4769   87.864   8.8447 15.72382 12.25099 
1 1 1  -16   10   59 o  104.090   5.9262   74.610   8.2769   67.284   12.190   80.876   11.274   99.244   9.0637  108.936   7.6372 -9.692360 11.85236 
1 1 1  -16   10   60 o  102.855   5.8787   71.414   8.1466   80.101   12.348   64.719   10.840  108.324   8.4122   97.386   8.2142 10.93779 11.75747 
1 1 1  -16   10   61 o  102.795   5.9478   72.554   8.2112   68.913   12.284   75.496   11.041  100.389   9.0294  105.201   7.7444 -4.812386 11.89558 
1 1 1  -16   10   62 o  105.593   5.9410   75.273   8.4474   85.053   12.846   67.821   11.213  111.553   8.4977   99.633   8.3048 11.92015 11.88194 
1 1 1  -16   10   63 o  218.748   10.151  328.584   30.091  328.584   30.091   0.0000   0.0000  218.748   10.151  ?   ?       ?      ? 
1 1 1  -16   10   64 o  166.661   6.3823  194.393   13.179  180.170   23.639  200.807   15.874  161.737   10.786  171.586   6.8270 -9.848602 12.76469 
1 1 1  -16   10   65 o  120.738   6.5260  101.757   10.429  109.694   13.711   90.862   16.063  126.615   7.9909  114.861   10.320 11.75390 13.05208 
1 1 1  -16   10   66 o  143.133   6.1363  140.188   11.670  138.628   15.054  142.537   18.475  142.309   7.8060  143.957   9.4702 -1.647751 12.27270 
1 1 1  -16   10   67 f  171.107   6.1983  200.244   13.311  203.670   23.910  198.706   16.024  171.717   10.275  170.497   6.9352 1.219711 12.39656 
1 1 1  -16   10   68 o  148.493   6.4850  150.201   12.217  156.897   21.642  147.070   14.802  150.475   10.613  146.511   7.4551 3.964005 12.97001 
1 1 1  -16   10   69 o  251.795   6.2958  425.611   20.231  404.359   24.493  471.238   35.889  242.814   7.4438  260.775   10.156 -17.96138 12.59170 
1 1 1  -16   10   70 o   65.953   10.069   33.488   8.6616   39.334   10.965   23.788   14.124   75.147   10.768   56.759   17.016 18.38702 20.13722 
1 1 1  -16   10   71 f  119.370   5.5753   98.696   8.9230   93.817   13.439  102.542   11.932  116.557   8.5086  122.182   7.2068 -5.624924 11.15053 
1 1 1  -16   10   72 o  105.916   7.3248   80.815   9.4357   72.518   17.235   84.366   11.276  101.153   12.574  110.679   7.5178 -9.525757 14.64965 
1 1 1  -16   10   73 o   48.809   9.2059   18.027   6.3906   12.084   9.6685   22.638   8.5160   41.959   14.246   55.658   11.664 -13.69860 18.41187 
1 1 1  -16   10   74 o   65.622   8.0196   31.932   6.7558   23.819   9.9379   38.902   9.2118   56.548   13.208   74.697   9.1004 -18.14875 16.03928 
1 1 1  -16   10   75 o   77.355   6.8410   42.444   7.0861   37.626   10.424   46.583   9.6617   72.980   10.540   81.731   8.7234 -8.751160 13.68202 
1 1 1  -16   10   76 o   33.069   9.3145   4.3601   6.6306  -6.7205   12.175   9.0324   7.9059   29.371   13.473   36.767   12.866 -7.396223 18.62909 
1 1 1  -16   10   77 o  106.893   7.0385   80.703   9.3545   81.477   16.983   80.367   11.208  106.326   11.786  107.460   7.6967 -1.133621 14.07692 
1 1 1  -16   10   78 o   79.443   8.1432   42.924   8.1400   53.109   15.109   38.759   9.6621   84.953   13.124   73.934   9.6436 11.01824 16.28643 
1 1 1  -16   10   79 o   44.789   10.267   15.328   6.9487   12.332   12.624   16.631   8.3231   42.874   16.073   46.704   12.780 -3.830490 20.53464 
1 1 1  -16   10   80 o   29.494   9.1435  -0.9091   6.3103   3.5981   11.929  -2.6604   7.4359   34.889   14.724   24.099   10.846 10.79050 18.28706 
1 1 1  -16   10   81 o   62.252   15.733   31.333   13.278   31.333   13.278   0.0000   0.0000   62.252   15.733  ?   ?       ?      ? 
1 1 1  -16   10   82 o   51.142   16.134   21.237   12.498   21.237   12.498   0.0000   0.0000   51.142   16.134  ?   ?       ?      ? 
1 1 1  -16   10   83 o   82.707   13.058   51.842   14.635   51.842   14.635   0.0000   0.0000   82.707   13.058  ?   ?       ?      ? 
1 1 1  -16   10   84 o   75.402   15.256   46.031   15.054   46.031   15.054   0.0000   0.0000   75.402   15.256  ?   ?       ?      ? 
1 1 1  -16   10   85 o   64.607   15.712   34.659   13.623   34.659   13.623   0.0000   0.0000   64.607   15.712  ?   ?       ?      ? 
1 1 1  -16   11    1 o  404.141   5.6716  1108.95   31.057  1134.31   44.037  1083.85   43.806  408.746   7.9503  399.535   8.0909 9.210632 11.34327 
1 1 1  -16   11    2 o  129.767   4.6346  114.150   8.1456  109.303   11.343  119.312   11.705  126.924   6.5946  132.610   6.5136 -5.686050 9.269099 
1 1 1  -16   11    3 o  203.963   4.5095  282.291   12.461  288.684   17.593  275.855   17.653  206.284   6.2934  201.642   6.4604 4.642334 9.019069 
1 1 1  -16   11    4 o  153.040   4.5876  158.682   9.4226  190.167   13.703  130.439   12.978  167.435   6.0391  138.646   6.9075 28.78917 9.175229 
1 1 1  -16   11    5 o  489.262   6.4046  1625.57   42.456  1602.53   59.351  1649.71   60.757  485.719   9.0169  492.806   9.0978 -7.087280 12.80915 
1 1 1  -16   11    6 o  200.195   4.5229  271.954   12.266  279.976   17.350  263.936   17.345  203.152   6.3021  197.239   6.4892 5.912109 9.045788 
1 1 1  -16   11    8 o  270.238   4.7916  495.284   17.534  523.262   25.075  468.517   24.526  277.709   6.6631  262.768   6.8877 14.94067 9.583158 
1 1 1  -16   11    9 f  249.059   5.5914  434.355   18.108  478.883   23.338  367.000   28.703  265.681   6.4821  232.438   9.1125 33.24269 11.18281 
1 1 1  -16   11   10 o  196.697   4.9192  264.067   11.980  266.343   14.318  258.754   21.874  198.178   5.3313  195.215   8.2686 2.962875 9.838366 
1 1 1  -16   11   11 o  502.307   7.3706  1678.31   43.521  1642.30   50.047  1790.01   88.143  491.896   7.5079  512.718   12.686 -20.82217 14.74122 
1 1 1  -16   11   12 o  150.348   5.4545  154.003   11.041  158.988   14.934  147.994   16.397  153.059   7.1999  147.637   8.1956 5.421585 10.90902 
1 1 1  -16   11   13 o  204.692   5.3673  280.856   14.645  265.964   18.862  303.464   23.239  197.970   7.0307  211.413   8.1117 -13.44286 10.73453 
1 1 1  -16   11   14 o  126.053   5.0296  106.903   8.1230  105.033   9.9362  110.672   14.105  124.437   5.8924  127.670   8.1527 -3.233215 10.05913 
1 1 1  -16   11   15 o  409.378   6.4618  1130.52   31.594  1121.65   36.755  1155.61   61.826  406.579   6.6710  412.178   11.069 -5.598785 12.92366 
1 1 1  -16   11   16 o  186.520   5.4461  236.505   13.623  238.521   18.055  233.841   20.757  187.471   7.1068  185.570   8.2543 1.900925 10.89220 
1 1 1  -16   11   17 o  595.211   8.4422  2424.11   59.841  2438.00   69.752  2385.37  116.469  599.124   8.5913  591.297   14.535 7.826538 16.88445 
1 1 1  -16   11   18 o  290.167   5.8702  572.398   22.193  573.997   27.820  569.600   36.806  290.816   7.0592  289.517   9.3812 1.299469 11.74049 
1 1 1  -16   11   19 o  193.776   5.4524  254.678   14.318  254.678   14.318   0.0000   0.0000  193.776   5.4524  ?   ?       ?      ? 
1 1 1  -16   11   20 o  137.048   5.1084  129.340   8.9071  133.082   10.949  122.017   15.316  140.067   5.7684  134.030   8.4326 6.036560 10.21677 
1 1 1  -16   11   21 o  377.970   6.1878  965.111   28.113  958.787   32.836  982.472   54.406  375.896   6.4462  380.044   10.564 -4.147675 12.37553 
1 1 1  -16   11   22 o  147.880   4.9986  148.763   9.4098  149.391   11.497  147.490   16.377  148.399   5.7170  147.361   8.2012 1.038452 9.997152 
1 1 1  -16   11   23 o  230.378   5.0536  352.716   14.382  342.385   17.006  378.659   26.950  224.663   5.5860  236.093   8.4234 -11.42923 10.10722 
1 1 1  -16   11   24 o  305.111   5.5289  611.069   20.332  587.520   23.613  678.594   39.984  294.272   5.9213  315.950   9.3387 -21.67819 11.05776 
1 1 1  -16   11   25 o   61.801   7.6427   27.593   6.0033   31.975   7.8568   21.446   9.3058   68.602   8.4514   54.999   12.736 13.60226 15.28534 
1 1 1  -16   11   26 f  334.200   5.8330  756.567   23.595  753.846   27.694  763.776   45.068  333.306   6.1315  335.094   9.9248 -1.787109 11.66604 
1 1 1  -16   11   27 o   84.569   5.9618   48.226   6.6904   46.838   8.5717   50.390   10.703   83.046   7.6167   86.092   9.1737 -3.046249 11.92355 
1 1 1  -16   11   28 o  215.667   5.0961  317.570   13.676  320.274   16.407  311.412   24.756  217.273   5.5722  214.061   8.5340 3.211914 10.19212 
1 1 1  -16   11   29 o  224.941   5.1921  349.093   14.525  357.849   17.497  329.675   26.055  229.658   5.6220  220.224   8.7306 9.434189 10.38412 
1 1 1  -16   11   30 o  272.041   6.0266  493.844   20.502  526.808   37.539  479.831   24.475  278.236   9.9561  265.847   6.7937 12.38919 12.05320 
1 1 1  -16   11   31 o  113.058   6.7422   92.150   8.9559   76.323   16.964   98.266   10.545  105.802   11.832  120.314   6.4677 -14.51283 13.48438 
1 1 1  -16   11   32 o  197.857   4.6082  263.657   12.306  295.272   18.351  237.820   16.589  208.551   6.4932  187.163   6.5407 21.38844 9.216405 
1 1 1  -16   11   33 o  216.319   4.6364  318.096   13.573  307.713   19.498  327.859   18.906  212.876   6.7588  219.762   6.3485 -6.885986 9.272828 
1 1 1  -16   11   34 o  108.021   5.2095   79.816   7.5433   75.094   11.343   83.561   10.101  105.112   7.9630  110.929   6.7193 -5.817261 10.41909 
1 1 1  -16   11   35 o  279.351   4.9091  529.422   18.568  544.445   26.941  515.830   25.627  283.114   7.0222  275.589   6.8620 7.525055 9.818250 
1 1 1  -16   11   36 o  310.999   6.4354  665.298   25.504  679.829   31.343  636.824   43.876  316.316   7.3121  305.682   10.592 10.63339 12.87080 
1 1 1  -16   11   37 o  513.274   8.2896  1809.53   54.398  1833.17   66.922  1763.49   93.392  518.888   9.5174  507.661   13.575 11.22632 16.57929 
1 1 1  -16   11   38 o  210.449   5.4539  294.835   15.106  276.561   18.955  326.643   25.008  201.764   6.9327  219.134   8.4213 -17.37053 10.90785 
1 1 1  -16   11   39 o  163.347   5.5455  180.696   12.067  177.554   15.626  185.338   18.995  161.644   7.1334  165.049   8.4927 -3.405640 11.09105 
1 1 1  -16   11   40 o  267.329   5.7579  471.673   19.974  439.204   24.537  535.451   34.389  254.219   7.1225  280.439   9.0490 -26.21957 11.51586 
1 1 1  -16   11   41 o  381.783   5.6196  991.494   29.072  979.700   41.209  1003.18   41.018  379.511   8.0129  384.056   7.8813 -4.545044 11.23927 
1 1 1  -16   11   42 o  153.928   4.8468  161.888   10.051  144.577   14.402  178.328   14.035  145.832   7.2874  162.023   6.3921 -16.19165 9.693589 
1 1 1  -16   11   43 o  117.739   5.1848   93.608   8.2394  101.559   12.346   87.223   11.064  122.209   7.4549  113.269   7.2079 8.940216 10.36967 
1 1 1  -16   11   44 o  208.374   4.7591  294.607   13.420  303.827   19.603  286.476   18.410  211.426   6.8420  205.321   6.6167 6.105194 9.518106 
1 1 1  -16   11   45 o  279.383   5.9058  523.752   21.518  504.348   26.764  559.228   36.188  272.335   7.2521  286.432   9.3232 -14.09698 11.81167 
1 1 1  -16   11   46 o  145.692   8.7548  144.605   17.285   0.0000   0.0000  144.605   17.285  ?   ?   145.692   8.7548      ?      ? 
1 1 1  -16   11   47 o  102.178   8.1877   76.728   9.2669   62.150   18.958   81.305   10.623   95.020   14.723  109.336   7.1694 -14.31607 16.37543 
1 1 1  -16   11   48 o  185.107   9.9873  233.918   25.053  233.918   25.053   0.0000   0.0000  185.107   9.9873  ?   ?       ?      ? 
1 1 1  -16   11   49 o  205.183   6.0832  292.530   15.588  272.066   27.624  302.091   18.882  199.574   10.214  210.792   6.6101 -11.21837 12.16647 
1 1 1  -16   11   50 f  267.900   6.3443  500.133   21.339  460.175   37.337  519.518   26.005  259.434   10.620  276.366   6.9437 -16.93167 12.68859 
1 1 1  -16   11   51 o  119.317   5.7555   93.982   9.1065  126.930   14.217   71.060   11.858  136.536   7.6840  102.099   8.5707 34.43774 11.51092 
1 1 1  -16   11   52 o  189.076   6.0941  238.596   14.784  228.369   18.015  259.688   25.872  183.176   7.2576  194.976   9.7919 -11.80016 12.18823 
1 1 1  -16   11   53 o  149.071   6.3661  148.226   12.276  140.731   15.074  162.989   21.155  143.739   7.7386  154.402   10.110 -10.66328 12.73215 
1 1 1  -16   11   54 o   95.765   6.0606   62.041   7.7986   66.392   11.978   58.839   10.274   98.626   8.9623   92.904   8.1609 5.721207 12.12121 
1 1 1  -16   11   55 o  119.481   5.4866   96.305   8.8202  105.333   13.487   89.558   11.659  124.302   8.0067  114.659   7.5036 9.642899 10.97326 
1 1 1  -16   11   56 o  193.727   4.8828  254.653   12.780  266.125   18.967  245.113   17.297  197.686   7.0800  189.768   6.7260 7.918503 9.765504 
1 1 1  -16   11   57 o  152.779   5.0546  158.004   10.420  169.681   15.643  148.691   13.970  157.802   7.3153  147.757   6.9771 10.04492 10.10911 
1 1 1  -16   11   58 o   87.398   6.5181   52.702   7.6094   49.227   11.561   55.358   10.107   84.755   10.066   90.042   8.2834 -5.287308 13.03617 
1 1 1  -16   11   59 o  163.544   5.0827  183.755   11.176  164.381   16.229  201.234   15.415  155.204   7.7160  171.884   6.6179 -16.68053 10.16530 
1 1 1  -16   11   60 o  237.695   4.9697  385.248   15.981  385.471   23.284  385.049   21.975  237.717   7.2278  237.674   6.8228 0.4362488E-01 9.939384 
1 1 1  -16   11   61 o  142.674   5.2927  138.591   10.173  142.676   15.332  135.379   13.597  144.494   7.8300  140.854   7.1234 3.640442 10.58545 
1 1 1  -16   11   62 o  189.530   6.0498  238.210   14.343  266.618   26.504  226.445   17.056  196.904   9.9327  182.156   6.9096 14.74745 12.09967 
1 1 1  -16   11   63 o   64.048   9.1023   28.683   7.7494   18.851   10.404   40.933   11.614   51.150   14.400   76.946   11.138 -25.79556 18.20464 
1 1 1  -16   11   64 o  113.625   6.4025   88.693   9.7528   88.313   12.876   89.205   14.937  113.458   8.3747  113.792   9.6867 -0.3339767 12.80495 
1 1 1  -16   11   65 o  103.448   5.9864   74.652   8.2455   65.560   12.377   81.907   11.056   97.538   9.3640  109.358   7.4606 -11.81933 11.97271 
1 1 1  -16   11   66 o   57.589   8.9309   24.223   6.7144   22.886   10.342   25.197   8.8281   55.940   13.742   59.239   11.411 -3.299694 17.86179 
1 1 1  -16   11   67 o  118.047   6.8038   91.071   10.428   79.049   12.727  115.626   18.189  107.065   8.7721  129.030   10.403 -21.96500 13.60760 
1 1 1  -16   11   68 o  107.886   5.7458   80.179   8.3324   80.183   12.604   80.176   11.105  107.775   8.6299  107.997   7.5882 -0.2221146 11.49155 
1 1 1  -16   11   69 o   82.379   6.7193   45.873   7.3964   55.466   11.695   39.476   9.5489   89.333   9.6603   75.426   9.3422 13.90706 13.43866 
1 1 1  -16   11   70 o   75.610   9.2963   43.708   8.1152   36.302   15.214   46.653   9.5940   69.161   16.470   82.060   8.6275 -12.89906 18.59258 
1 1 1  -16   11   71 o   95.089   6.0836   62.736   7.7604   62.959   11.844   62.568   10.273   95.076   9.1926   95.101   7.9711 -0.2584076E-01 12.16722 
1 1 1  -16   11   72 o   46.746   9.3468   15.361   6.2197   21.693   9.7665   11.041   8.0671   53.847   13.430   39.646   13.004 14.20037 18.69352 
1 1 1  -16   11   73 o   67.174   9.3058   32.800   7.5405   34.174   14.126   32.252   8.9172   66.603   15.876   67.744   9.7134 -1.141602 18.61153 
1 1 1  -16   11   74 o   53.398   11.763   21.932   9.4233   21.004   13.099   22.927   13.567   52.370   16.517   54.426   16.753 -2.055744 23.52567 
1 1 1  -16   11   75 o   73.985   10.405   41.899   10.063   41.661   14.066   42.149   14.402   73.842   14.574   74.128   14.854 -0.2856750 20.80986 
1 1 1  -16   11   76 o   40.053   8.9798   1.2612   6.3521   27.773   12.178  -8.6474   7.4451   59.583   15.072   20.523   9.7666 39.06017 17.95963 
1 1 1  -16   11   77 o  109.877   7.1680   90.811   9.5771   75.039   16.967   98.186   11.602  101.061   12.389  118.693   7.2131 -17.63261 14.33608 
1 1 1  -16   11   78 o   59.679   9.7633   25.566   7.2183   34.077   13.410   22.095   8.5650   65.414   15.385   53.943   12.024 11.47113 19.52652 
1 1 1  -16   11   79 o   84.076   10.043   54.085   10.966   40.704   14.888   69.954   16.213   71.061   15.862   97.091   12.323 -26.03001 20.08645 
1 1 1  -16   11   80 o   30.637   13.679  -1.7575   11.574  -1.7575   11.574   0.0000   0.0000   30.637   13.679  ?   ?       ?      ? 
1 1 1  -16   11   81 o   49.753   16.142   20.160   12.444   20.160   12.444   0.0000   0.0000   49.753   16.142  ?   ?       ?      ? 
1 1 1  -16   11   82 o   39.254   15.520   9.5914   12.225   9.5914   12.225   0.0000   0.0000   39.254   15.520  ?   ?       ?      ? 
1 1 1  -16   11   83 o   27.712   12.848  -6.3990   11.501  -6.3990   11.501   0.0000   0.0000   27.712   12.848  ?   ?       ?      ? 
1 1 1  -16   11   84 o   62.041   15.988   32.480   13.526   32.480   13.526   0.0000   0.0000   62.041   15.988  ?   ?       ?      ? 
1 1 1  -16   12    1 o  267.322   4.7966  484.452   17.332  534.136   24.995  438.432   24.056  280.521   6.5752  254.122   6.9854 26.39955 9.593138 
1 1 1  -16   12    2 o  228.414   4.6197  354.324   14.291  365.654   20.112  342.770   20.311  232.113   6.3939  224.716   6.6697 7.397125 9.239410 
1 1 1  -16   12    3 o  292.415   4.9482  578.154   19.537  652.392   28.554  512.813   26.788  310.009   6.7969  274.822   7.1930 35.18726 9.896340 
1 1 1  -16   12    4 o  364.523   5.4123  902.396   26.729  929.477   37.974  875.804   37.629  369.952   7.5746  359.094   7.7328 10.85767 10.82450 
1 1 1  -16   12    5 o  294.116   4.9725  587.172   19.814  582.688   27.672  591.888   28.383  292.969   6.9702  295.263   7.0937 -2.293640 9.944999 
1 1 1  -16   12    6 o  216.029   6.6014  316.760   19.326   0.0000   0.0000  316.760   19.326  ?   ?   216.029   6.6014      ?      ? 
1 1 1  -16   12    7 o  229.968   4.6832  358.697   14.589  347.900   20.320  370.184   20.959  226.399   6.6233  233.537   6.6228 -7.138092 9.366411 
1 1 1  -16   12    8 o  235.808   4.7073  377.426   15.042  377.967   21.256  376.884   21.290  235.978   6.6471  235.638   6.6673 0.3396301 9.414677 
1 1 1  -16   12    9 f  218.064   5.4987  320.658   15.880  312.441   20.281  333.678   25.529  214.531   6.9762  221.598   8.5014 -7.067627 10.99733 
1 1 1  -16   12   10 o  215.018   5.0125  307.649   13.250  299.437   15.625  328.681   25.005  210.096   5.4879  219.940   8.3896 -9.844727 10.02506 
1 1 1  -16   12   11 o  287.445   5.5041  568.648   19.206  578.323   22.703  544.294   36.018  291.961   5.7381  282.929   9.3943 9.031067 11.00813 
1 1 1  -16   12   12 o  354.645   5.9781  844.681   25.395  833.590   29.555  875.968   49.640  350.480   6.2229  358.809   10.209 -8.329224 11.95618 
1 1 1  -16   12   13 o  291.798   5.4953  578.342   19.422  578.362   22.825  578.289   36.970  291.966   5.7690  291.630   9.3549 0.3363342 10.99068 
1 1 1  -16   12   14 o  217.921   5.0955  325.743   13.669  330.468   16.296  314.529   25.107  220.712   5.4485  215.130   8.6123 5.582184 10.19105 
1 1 1  -16   12   15 o  260.443   5.3795  473.451   17.144  491.886   20.494  430.473   31.291  269.262   5.6164  251.623   9.1767 17.63957 10.75902 
1 1 1  -16   12   16 o  142.859   5.6964  138.468   11.028  138.468   11.028   0.0000   0.0000  142.859   5.6964  ?   ?       ?      ? 
1 1 1  -16   12   17 o  248.752   5.2864  417.497   15.982  414.079   18.784  426.456   30.414  247.047   5.6109  250.457   8.9611 -3.409836 10.57277 
1 1 1  -16   12   18 o  133.715   4.9031  111.622   8.3798   94.231   10.023  152.002   15.273  117.831   6.2771  149.599   7.5339 -31.76781 9.806176 
1 1 1  -16   12   19 o  396.852   6.4082  1065.41   30.452  1059.26   35.499  1082.56   59.254  395.017   6.6316  398.688   10.967 -3.670776 12.81646 
1 1 1  -16   12   20 o  210.340   5.0457  294.137   13.127  285.447   15.535  315.827   24.545  205.113   5.5891  215.568   8.4022 -10.45502 10.09136 
1 1 1  -16   12   21 o  350.182   5.9531  817.183   25.014  799.092   29.080  868.644   49.047  343.121   6.2542  357.242   10.131 -14.12137 11.90625 
1 1 1  -16   12   22 o  292.134   5.4972  569.261   19.510  556.473   22.850  603.672   37.483  286.357   5.8883  297.910   9.2846 -11.55328 10.99433 
1 1 1  -16   12   23 o  242.905   5.2780  405.779   15.807  413.074   18.883  388.699   28.894  246.730   5.6476  239.080   8.9182 7.649918 10.55599 
1 1 1  -16   12   24 o  254.786   5.2626  436.557   16.471  430.634   19.470  451.464   30.886  251.912   5.7034  257.659   8.8458 -5.747009 10.52512 
1 1 1  -16   12   25 o  199.194   5.0164  267.323   12.487  263.955   14.952  275.087   22.703  197.227   5.5943  201.162   8.3283 -3.934845 10.03275 
1 1 1  -16   12   26 o  240.251   5.1873  386.634   15.355  379.188   18.164  405.274   28.740  236.381   5.6705  244.121   8.6877 -7.740234 10.37455 
1 1 1  -16   12   27 o   52.940   9.1628   20.490   6.6415   13.965   10.020   25.602   8.8698   45.557   14.454   60.322   11.265 -14.76533 18.32551 
1 1 1  -16   12   28 o  238.830   5.7062  390.563   18.078  402.409   23.494  373.366   28.307  243.389   7.1232  234.272   8.9164 9.117416 11.41239 
1 1 1  -16   12   29 o  212.296   5.4076  324.781   14.153  358.030   17.345  258.538   24.482  229.686   5.5725  194.905   9.2691 34.78128 10.81517 
1 1 1  -16   12   30 o  201.926   5.1215  274.972   12.954  271.684   15.542  282.452   23.441  200.068   5.7327  203.783   8.4885 -3.715271 10.24299 
1 1 1  -16   12   31 f  137.505   5.6625  124.488   10.383  102.594   13.394  157.444   16.433  122.835   8.0467  152.174   7.9691 -29.33873 11.32497 
1 1 1  -16   12   32 o  502.706   7.9985  1736.68   52.029  1766.86   64.926  1682.53   86.977  509.400   9.4055  496.012   12.940 13.38776 15.99691 
1 1 1  -16   12   33 o  253.962   5.7286  438.676   19.040  438.773   23.998  438.511   31.278  254.123   6.9687  253.800   9.0942 0.3222198 11.45716 
1 1 1  -16   12   34 f  129.715   7.4231  114.375   13.048  114.375   13.048   0.0000   0.0000  129.715   7.4231  ?   ?       ?      ? 
1 1 1  -16   12   35 o  179.190   4.7224  217.742   11.447  224.536   16.792  211.845   15.645  181.786   6.8164  176.594   6.5378 5.192368 9.444883 
1 1 1  -16   12   36 o  132.185   4.9976  117.773   8.9129  129.887   13.385  108.124   11.947  138.237   7.1453  126.134   6.9893 12.10337 9.995240 
1 1 1  -16   12   37 o  259.100   4.8817  454.534   17.107  484.894   25.167  428.462   23.323  267.106   6.9530  251.093   6.8542 16.01282 9.763424 
1 1 1  -16   12   38 o  257.901   4.8724  451.224   17.005  467.217   24.858  437.158   23.313  262.176   6.9967  253.627   6.7829 8.549667 9.744806 
1 1 1  -16   12   39 o  107.664   5.5738   80.404   7.9648   68.727   11.966   89.693   10.673  100.454   8.7900  114.874   6.8559 -14.42009 11.14750 
1 1 1  -16   12   40 o  272.777   4.9952  505.568   18.454  514.765   26.639  497.081   25.589  275.150   7.1443  270.403   6.9834 4.746704 9.990432 
1 1 1  -16   12   41 o   89.244   8.8213   58.125   9.7672   44.724   15.490   66.969   12.584   79.377   14.949   99.111   9.3695 -19.73411 17.64253 
1 1 1  -16   12   42 o  168.617   5.9021  191.694   12.450  198.618   22.621  188.686   14.912  170.621   9.7837  166.613   6.6045 4.008301 11.80426 
1 1 1  -16   12   43 o  311.723   7.4733  661.136   31.569  661.136   31.569   0.0000   0.0000  311.723   7.4733  ?   ?       ?      ? 
1 1 1  -16   12   44 o  189.216   6.5802  243.390   16.872   0.0000   0.0000  243.390   16.872  ?   ?   189.216   6.5802      ?      ? 
1 1 1  -16   12   45 o  165.943   6.6351  187.227   14.921   0.0000   0.0000  187.227   14.921  ?   ?   165.943   6.6351      ?      ? 
1 1 1  -16   12   46 o   24.519   8.1159  -7.4009   6.2355 -26.3722   13.793  -2.5276   6.9907   24.939   12.203   24.098   10.703 0.8411102 16.23190 
1 1 1  -16   12   47 o  155.818   5.0762  163.053   10.647  185.952   16.215  145.697   14.116  165.304   7.2385  146.332   7.1187 18.97229 10.15237 
1 1 1  -16   12   48 o   94.420   6.1108   60.161   7.7452   65.234   11.969   56.507   10.159   97.781   9.0330   91.060   8.2326 6.721527 12.22168 
1 1 1  -16   12   49 o  195.685   4.8928  260.230   12.933  264.400   19.140  256.727   17.544  197.096   7.1659  194.274   6.6638 2.822235 9.785569 
1 1 1  -16   12   50 o  154.919   6.3148  160.128   12.657  152.070   15.546  175.974   21.800  149.412   7.6782  160.426   10.028 -11.01372 12.62965 
1 1 1  -16   12   51 o  151.200   6.5983  161.899   12.693  175.293   15.868  138.103   21.151  160.441   7.2984  141.958   10.995 18.48315 13.19658 
1 1 1  -16   12   52 o   70.319   7.4669   33.191   7.0290   38.354   11.042   29.672   9.1143   74.801   10.893   65.838   10.216 8.962852 14.93385 
1 1 1  -16   12   53 o   58.934   8.7932   25.814   6.8239   17.369   10.589   31.812   8.9240   49.676   14.698   68.192   9.6571 -18.51603 17.58649 
1 1 1  -16   12   54 f   97.649   6.0352   64.171   7.9273   74.094   12.109   56.728   10.487  104.155   8.5789   91.143   8.4909 13.01209 12.07031 
1 1 1  -16   12   55 o  122.695   5.5150  103.607   9.0715   95.286   13.519  110.422   12.235  118.101   8.4470  127.289   7.0929 -9.187981 11.03006 
1 1 1  -16   12   56 o  180.133   7.3919  221.336   18.044  221.336   18.044   0.0000   0.0000  180.133   7.3919  ?   ?       ?      ? 
1 1 1  -16   12   57 o   73.275   8.2370   40.114   7.4767   26.744   11.393   50.227   9.9088   60.862   14.092   85.687   8.5334 -24.82473 16.47402 
1 1 1  -16   12   58 o  162.291   5.0985  181.020   11.132  164.981   16.253  195.194   15.278  155.385   7.7185  169.197   6.6635 -13.81113 10.19696 
1 1 1  -16   12   59 o  185.469   5.0193  235.146   12.556  231.933   18.610  237.832   17.011  184.231   7.4543  186.706   6.7235 -2.475174 10.03852 
1 1 1  -16   12   60 o   54.736   11.350   22.155   9.0314   16.105   14.879   25.684   11.364   50.046   17.640   59.427   14.288 -9.380440 22.70055 
1 1 1  -16   12   61 o  136.596   6.1383  123.609   11.144  105.325   14.176  153.191   18.031  123.889   8.4437  149.304   8.9119 -25.41483 12.27670 
1 1 1  -16   12   62 o  134.950   5.3858  125.455   9.7678  118.761   14.549  130.948   13.180  131.543   8.1618  138.356   7.0294 -6.812866 10.77165 
1 1 1  -16   12   63 o  142.199   5.2806  137.649   10.118  147.427   15.322  130.090   13.473  146.590   7.7132  137.809   7.2143 8.781738 10.56123 
1 1 1  -16   12   64 o  194.587   4.9683  258.709   13.066  269.190   19.338  249.905   17.723  198.148   7.2017  191.026   6.8463 7.121475 9.936552 
1 1 1  -16   12   65 o  121.038   6.8173  100.006   10.780   95.903   13.437  107.415   18.057  117.936   8.4074  124.139   10.734 -6.202896 13.63459 
1 1 1  -16   12   66 o  104.880   5.8886   76.300   8.2636   73.436   12.592   78.466   10.952  102.975   9.0233  106.786   7.5684 -3.811287 11.77717 
1 1 1  -16   12   67 o   90.654   8.0810   58.524   8.7876   56.235   16.704   59.400   10.333   88.600   13.913   92.708   8.2248 -4.107704 16.16197 
1 1 1  -16   12   68 o  132.364   6.6561  122.556   10.763  120.975   20.054  123.196   12.756  130.952   11.301  133.777   7.0363 -2.825836 13.31221 
1 1 1  -16   12   69 o   75.175   6.9239   38.507   6.9570   47.257   10.950   32.585   9.0088   82.130   9.8390   68.221   9.7446 13.90886 13.84787 
1 1 1  -16   12   70 o   72.983   7.4080   39.199   6.8806   31.312   10.402   45.334   9.1746   65.245   12.213   80.720   8.3873 -15.47475 14.81608 
1 1 1  -16   12   71 o   98.073   5.8960   66.775   7.7971   69.741   11.718   64.418   10.445   99.913   8.6544   96.233   8.0096 3.680153 11.79203 
1 1 1  -16   12   72 o   93.667   6.1193   61.760   7.7154   58.021   11.357   64.964   10.514   90.812   9.2288   96.523   8.0382 -5.711075 12.23860 
1 1 1  -16   12   73 o   56.218   10.196   23.319   7.2399   27.126   13.635   21.824   8.5439   58.480   16.492   53.956   11.996 4.523975 20.39293 
1 1 1  -16   12   74 o  122.736   6.9810  111.577   10.469   96.323   18.684  118.559   12.640  114.942   11.995  130.530   7.1456 -15.58743 13.96205 
1 1 1  -16   12   75 o  124.926   6.8256  113.309   10.515  106.046   18.935  116.548   12.645  120.596   11.586  129.256   7.2189 -8.660110 13.65126 
1 1 1  -16   12   76 o   41.060   10.492   11.120   6.9268   14.675   12.995   9.7092   8.1868   44.878   16.401   37.241   13.089 7.636600 20.98347 
1 1 1  -16   12   77 o   93.875   7.8015   66.730   9.0039   57.697   15.833   71.047   10.946   87.413   13.366  100.338   8.0504 -12.92537 15.60307 
1 1 1  -16   12   78 o   43.900   16.118   14.234   12.573   14.234   12.573   0.0000   0.0000   43.900   16.118  ?   ?       ?      ? 
1 1 1  -16   12   79 o   54.306   16.632   24.655   13.391   24.655   13.391   0.0000   0.0000   54.306   16.632  ?   ?       ?      ? 
1 1 1  -16   12   80 o   58.422   16.355   28.715   13.461   28.715   13.461   0.0000   0.0000   58.422   16.355  ?   ?       ?      ? 
1 1 1  -16   12   81 o   90.622   12.744   62.642   15.650   62.642   15.650   0.0000   0.0000   90.622   12.744  ?   ?       ?      ? 
1 1 1  -16   12   82 o   72.153   15.322   42.933   14.519   42.933   14.519   0.0000   0.0000   72.153   15.322  ?   ?       ?      ? 
1 1 1  -16   13    1 o  211.234   5.5590  311.911   15.436  256.840   23.528  353.531   20.454  194.301   8.9359  228.168   6.6152 -33.86726 11.11800 
1 1 1  -16   13    2 o  188.326   5.3664  244.526   13.363  223.307   20.826  259.375   17.421  181.212   8.4808  195.440   6.5779 -14.22807 10.73277 
1 1 1  -16   13    3 o  161.596   5.3756  179.849   11.493  165.271   17.915  190.048   14.984  155.898   8.4798  167.294   6.6094 -11.39598 10.75130 
1 1 1  -16   13    4 o  287.480   5.9624  574.319   22.442  508.694   35.544  617.821   28.939  273.373   9.5947  301.586   7.0810 -28.21350 11.92472 
1 1 1  -16   13    5 o  208.303   6.2195  304.972   16.080  269.791   28.408  321.558   19.505  198.995   10.535  217.611   6.6143 -18.61627 12.43896 
1 1 1  -16   13    6 o  164.424   6.5229  194.785   12.988  158.752   23.335  210.956   15.633  152.586   11.285  176.262   6.5447 -23.67580 13.04571 
1 1 1  -16   13    7 o  306.989   5.0771  640.133   21.114  663.028   30.028  617.743   29.695  312.427   7.0923  301.551   7.2667 10.87692 10.15410 
1 1 1  -16   13    8 o  166.681   4.6678  188.636   10.539  188.143   14.685  189.160   15.134  166.461   6.5101  166.900   6.6913 -0.4396973 9.335640 
1 1 1  -16   13    9 o  315.355   6.0588  669.125   24.633  653.621   30.298  699.357   42.309  310.190   7.2079  320.520   9.7409 -10.32944 12.11766 
1 1 1  -16   13   10 o  173.031   4.9270  195.182   10.525  184.483   12.375  223.157   20.011  164.881   5.5386  181.182   8.1501 -16.30035 9.853932 
1 1 1  -16   13   11 f  213.467   5.1271  311.480   13.384  314.062   15.859  305.089   24.949  215.136   5.4398  211.798   8.6925 3.337509 10.25428 
1 1 1  -16   13   12 o  288.744   5.7916  565.855   22.662  565.855   22.662   0.0000   0.0000  288.744   5.7916  ?   ?       ?      ? 
1 1 1  -16   13   13 o  164.229   5.5316  183.029   12.311  183.029   12.311   0.0000   0.0000  164.229   5.5316  ?   ?       ?      ? 
1 1 1  -16   13   14 f  190.898   5.2381  259.198   12.249  277.405   14.791  219.459   21.852  202.191   5.3984  179.605   8.9782 22.58589 10.47620 
1 1 1  -16   13   15 o  218.359   5.0478  309.108   13.512  290.910   15.798  358.712   26.081  207.039   5.6306  229.680   8.3796 -22.64011 10.09561 
1 1 1  -16   13   16 o  237.421   5.2407  379.808   15.285  375.499   18.079  390.607   28.621  235.218   5.6719  239.624   8.8141 -4.405945 10.48136 
1 1 1  -16   13   17 o  428.858   7.1803  1257.55   39.757  1268.62   49.365  1237.11   67.068  431.908   8.4342  425.808   11.623 6.099518 14.36069 
1 1 1  -16   13   18 o  523.310   8.1623  1828.04   54.225  1757.05   65.440  1983.59   96.865  508.032   9.5054  538.589   13.272 -30.55652 16.32453 
1 1 1  -16   13   19 o  181.000   5.3946  221.534   12.828  218.154   16.199  227.217   21.006  179.223   6.6697  182.776   8.4807 -3.552887 10.78925 
1 1 1  -16   13   20 o  100.076   6.1466   69.357   8.1665   76.229   10.879   60.488   12.360  105.905   7.5807   94.248   9.6775 11.65670 12.29311 
1 1 1  -16   13   21 o  239.275   5.5811  390.230   17.474  393.107   22.060  385.385   28.630  240.569   6.7667  237.982   8.8774 2.587280 11.16229 
1 1 1  -16   13   22 o  257.330   5.6815  448.855   19.069  445.092   23.871  455.489   31.698  255.966   6.8819  258.694   9.0420 -2.727936 11.36300 
1 1 1  -16   13   23 f  313.145   6.0905  665.147   24.742  660.197   30.768  674.207   41.622  311.686   7.2844  314.605   9.7629 -2.919525 12.18102 
1 1 1  -16   13   24 o   99.751   6.2741   67.693   8.4522   67.387   11.477   68.057   12.494   99.522   8.5102   99.980   9.2214 -0.4579239 12.54825 
1 1 1  -16   13   25 o  282.445   7.0011  545.795   26.687  504.715   38.474  583.886   37.048  272.073   10.435  292.817   9.3364 -20.74457 14.00220 
1 1 1  -16   13   26 o  139.027   5.2056  126.606   9.3527  116.604   11.414  147.050   16.317  131.025   6.4281  147.029   8.1897 -16.00377 10.41115 
1 1 1  -16   13   27 o  298.753   5.6450  604.894   20.557  602.120   24.230  612.022   38.833  297.781   6.0045  299.724   9.5609 -1.943390 11.29004 
1 1 1  -16   13   28 o   74.176   6.7658   37.306   6.6521   36.633   8.5246   38.355   10.637   73.364   8.5745   74.987   10.468 -1.623016 13.53152 
1 1 1  -16   13   29 o  240.861   5.3698  400.857   15.987  410.520   19.167  378.763   28.984  245.892   5.7521  235.830   9.0693 10.06175 10.73960 
1 1 1  -16   13   30 f  249.164   5.4272  428.543   16.698  438.019   19.993  406.691   30.361  253.984   5.8089  244.344   9.1693 9.639771 10.85449 
1 1 1  -16   13   31 o  190.484   5.8794  246.399   15.176  246.399   15.176   0.0000   0.0000  190.484   5.8794  ?   ?       ?      ? 
1 1 1  -16   13   32 o  239.924   5.8740  390.923   19.098  390.923   19.098   0.0000   0.0000  239.924   5.8740  ?   ?       ?      ? 
1 1 1  -16   13   33 o  370.833   6.3100  945.981   28.417  957.895   33.567  915.841   53.390  375.444   6.5976  366.221   10.758 9.223175 12.62004 
1 1 1  -16   13   34 o  137.912   5.4099  129.607   9.6274  130.103   11.931  128.680   16.301  138.376   6.3624  137.447   8.7516 0.9291992 10.81988 
1 1 1  -16   13   35 o  158.440   5.1563  164.951   10.491  153.741   12.735  188.624   18.507  150.426   6.2474  166.454   8.2048 -16.02806 10.31254 
1 1 1  -16   13   36 o  165.186   6.5705  186.640   14.560  181.538   22.051  190.585   19.388  163.100   9.9766  167.272   8.5531 -4.172607 13.14106 
1 1 1  -16   13   37 o  135.817   6.8469  123.566   12.418  138.995   19.684  113.367   16.005  142.682   10.180  128.951   9.1588 13.73053 13.69389 
1 1 1  -16   13   38 o   60.800   9.7946   26.671   7.2204   23.563   14.235   27.748   8.3781   57.832   17.022   63.768   9.6953 -5.936123 19.58924 
1 1 1  -16   13   39 o  120.785   6.6383   98.092   9.7516  102.781   18.638   96.324   11.443  122.569   11.221  119.000   7.0957 3.568321 13.27652 
1 1 1  -16   13   40 o  391.295   7.0362  1038.06   34.839  1066.55   61.839  1024.81   42.168  394.668   11.562  387.922   8.0215 6.745697 14.07247 
1 1 1  -16   13   41 o  199.982   5.0315  270.184   13.536  287.303   20.655  257.295   17.922  205.461   7.4184  194.504   6.7993 10.95683 10.06296 
1 1 1  -16   13   42 o  179.943   6.3709  230.838   14.039  196.608   25.082  246.455   16.942  169.508   10.919  190.379   6.5669 -20.87074 12.74185 
1 1 1  -16   13   43 o  201.075   4.9806  273.229   13.483  290.903   20.497  259.747   17.902  206.735   7.3163  195.415   6.7601 11.31943 9.961277 
1 1 1  -16   13   44 o  325.397   5.3227  720.372   23.444  732.880   34.098  709.160   32.285  328.043   7.6704  322.751   7.3816 5.291565 10.64533 
1 1 1  -16   13   45 o  184.539   4.9749  231.325   12.387  236.365   18.485  227.217   16.688  186.327   7.3208  182.752   6.7383 3.574600 9.949870 
1 1 1  -16   13   46 o  264.965   5.0214  477.981   18.006  476.673   26.127  479.164   24.850  264.588   7.2868  265.343   6.9108 -0.7556152 10.04279 
1 1 1  -16   13   47 o   53.072   9.5076   19.798   6.7560   22.406   10.634   18.033   8.7485   55.903   14.053   50.242   12.810 5.660908 19.01528 
1 1 1  -16   13   48 o  129.983   6.8417  118.988   11.403  127.615   14.322  104.047   18.847  136.831   7.7240  123.136   11.295 13.69460 13.68335 
1 1 1  -16   13   49 o  115.523   5.6186   89.822   8.7366  102.560   13.307   80.173   11.582  122.620   8.0085  108.425   7.8828 14.19443 11.23721 
1 1 1  -16   13   50 o  230.928   4.9565  362.139   15.475  379.365   22.850  347.544   21.032  235.960   7.1460  225.895   6.8705 10.06512 9.913085 
1 1 1  -16   13   51 o   72.741   8.2582   40.257   7.3337   24.678   11.288   51.637   9.6473   58.520   14.345   86.961   8.1864 -28.44152 16.51638 
1 1 1  -16   13   52 o   53.988   9.4517   20.896   6.7751   21.056   10.764   20.792   8.7190   54.111   14.419   53.865   12.225 0.2460632 18.90346 
1 1 1  -16   13   53 o  189.310   4.9449  244.388   12.638  244.282   18.692  244.478   17.153  189.220   7.2898  189.400   6.6833 -0.1800690 9.889743 
1 1 1  -16   13   54 o  113.111   5.7641   89.308   8.6392   75.879   13.008   99.905   11.556  105.214   9.1235  121.008   7.0469 -15.79486 11.52813 
1 1 1  -16   13   55 o  118.554   5.7156   97.872   9.0075   84.328   13.496  108.751   12.095  110.892   8.9812  126.217   7.0717 -15.32547 11.43115 
1 1 1  -16   13   56 o  127.930   5.4829  111.388   9.4534  117.276   14.267  106.780   12.622  130.881   8.0442  124.978   7.4525 5.902618 10.96576 
1 1 1  -16   13   57 o  203.434   6.9202  281.461   18.924  313.586   29.103  257.927   24.909  213.266   10.070  193.602   9.4945 19.66463 13.84037 
1 1 1  -16   13   58 f  141.256   7.3713  141.330   13.745  112.228   20.264  166.130   18.706  127.068   11.768  155.445   8.8803 -28.37698 14.74254 
1 1 1  -16   13   59 o   64.409   8.5682   30.409   7.0339   25.667   11.284   33.422   8.9954   59.220   14.237   69.598   9.5376 -10.37844 17.13633 
1 1 1  -16   13   60 o   87.983   6.5675   54.212   7.6529   49.188   11.824   57.835   10.039   84.226   10.359   91.740   8.0755 -7.514359 13.13499 
1 1 1  -16   13   61 o  119.505   5.5539   98.926   8.8699   93.051   13.480  103.412   11.779  116.191   8.5614  122.819   7.0772 -6.627663 11.10785 
1 1 1  -16   13   62 o  125.755   5.5808  110.898   9.3056   95.999   14.079  122.456   12.400  117.869   8.8145  133.640   6.8471 -15.77039 11.16151 
1 1 1  -16   13   63 f  133.720   6.6924  125.738   11.650  130.383   14.746  118.022   19.005  137.535   7.9119  129.905   10.796 7.630173 13.38471 
1 1 1  -16   13   64 o   50.897   10.170   20.860   7.3395   9.7238   14.560   24.654   8.4983   43.433   17.011   58.361   11.152 -14.92849 20.34056 
1 1 1  -16   13   65 o  127.082   7.1069  118.143   10.714  101.719   20.097  124.665   12.664  119.572   12.402  134.592   6.9436 -15.01974 14.21387 
1 1 1  -16   13   66 o  168.540   7.4965  196.279   17.122  196.279   17.122   0.0000   0.0000  168.540   7.4965  ?   ?       ?      ? 
1 1 1  -16   13   67 o   55.965   8.6177   21.411   6.5318   34.009   10.434   13.293   8.3762   69.231   11.122   42.698   13.167 26.53241 17.23533 
1 1 1  -16   13   68 o   99.234   6.0056   69.047   8.0009   65.868   11.991   71.598   10.742   96.943   9.1274  101.525   7.8078 -4.582748 12.01129 
1 1 1  -16   13   69 o  105.009   5.8361   76.918   8.2436   77.590   12.451   76.393   11.000  105.233   8.7310  104.786   7.7465 0.4472504 11.67215 
1 1 1  -16   13   70 o   76.482   7.4452   43.358   7.2619   33.837   10.771   51.293   9.8331   67.431   12.237   85.533   8.4834 -18.10184 14.89036 
1 1 1  -16   13   71 o  116.522   6.8162   95.266   9.9411   99.598   17.993   93.363   11.927  117.392   11.311  115.653   7.6099 1.738632 13.63249 
1 1 1  -16   13   72 o   63.470   9.9988   29.619   7.7341   35.546   14.599   27.307   9.1189   66.490   16.323   60.450   11.553 6.040554 19.99753 
1 1 1  -16   13   73 o   62.981   9.7881   33.357   7.7955   22.541   14.028   38.189   9.3764   52.809   17.139   73.153   9.4585 -20.34428 19.57612 
1 1 1  -16   13   74 f   40.169   10.238   11.636   6.9581   6.3608   13.492   13.548   8.1215   38.178   15.852   42.159   12.959 -3.980885 20.47519 
1 1 1  -16   13   75 o   82.719   8.0020   46.324   8.3681   62.078   15.568   39.923   9.9236   91.031   12.620   74.407   9.8417 16.62396 16.00408 
1 1 1  -16   13   76 o  117.075   11.555  101.490   18.332  101.490   18.332   0.0000   0.0000  117.075   11.555  ?   ?       ?      ? 
1 1 1  -16   13   77 o  110.280   11.651   90.539   17.412   90.539   17.412   0.0000   0.0000  110.280   11.651  ?   ?       ?      ? 
1 1 1  -16   13   78 o   59.921   16.338   30.310   13.632   30.310   13.632   0.0000   0.0000   59.921   16.338  ?   ?       ?      ? 
1 1 1  -16   13   79 o   50.972   16.550   21.966   13.079   21.966   13.079   0.0000   0.0000   50.972   16.550  ?   ?       ?      ? 
1 1 1  -16   13   80 o   97.537   12.344   72.621   16.316   72.621   16.316   0.0000   0.0000   97.537   12.344  ?   ?       ?      ? 
1 1 1  -16   14    1 o  336.915   6.6335  765.804   28.346  794.673   50.224  752.309   34.338  341.217   10.862  332.613   7.6182 8.603882 13.26702 
1 1 1  -16   14    2 o  150.718   4.8482  153.290   9.8668  138.456   13.352  171.132   14.644  142.739   6.9030  158.697   6.8096 -15.95779 9.696462 
1 1 1  -16   14    3 o  329.246   5.2551  737.239   23.438  757.054   33.057  717.208   33.237  333.714   7.3098  324.778   7.5519 8.936707 10.51018 
1 1 1  -16   14    4 o  214.615   6.2516  321.282   16.911  291.888   29.276  336.001   20.717  206.865   10.443  222.365   6.8751 -15.50008 12.50318 
1 1 1  -16   14    5 f  417.553   8.6801  1192.43   49.100  1202.79   68.767  1181.67   70.129  419.457   12.098  415.649   12.451 3.807587 17.36019 
1 1 1  -16   14    6 f   84.285   6.6273   48.484   7.2546   31.695   9.8292   68.573   10.752   68.159   10.642  100.410   7.9019 -32.25056 13.25460 
1 1 1  -16   14    7 o  401.645   5.7765  1097.49   31.438  1098.83   44.181  1096.13   44.743  401.903   8.1121  401.387   8.2258 0.5163574 11.55293 
1 1 1  -16   14    8 o  163.884   4.8224  182.411   10.703  180.244   14.842  184.760   15.449  162.876   6.7245  164.891   6.9140 -2.014786 9.644855 
1 1 1  -16   14    9 o  398.727   7.3952  1090.01   36.767  1098.98   44.187  1069.83   66.286  401.931   8.1125  395.522   12.367 6.409393 14.79045 
1 1 1  -16   14   10 o  106.546   6.3568   77.106   9.1781   77.106   9.1781   0.0000   0.0000  106.546   6.3568  ?   ?       ?      ? 
1 1 1  -16   14   11 o  412.361   6.6722  1169.43   32.908  1182.22   38.505  1134.76   63.381  417.119   6.8120  407.603   11.475 9.515137 13.34439 
1 1 1  -16   14   12 o  235.123   5.7224  365.904   17.698  336.788   22.131  417.568   29.480  222.581   7.3370  247.665   8.7837 -25.08388 11.44488 
1 1 1  -16   14   13 o  320.673   5.8292  692.998   22.406  685.497   26.103  713.994   43.672  317.714   6.0629  323.632   9.9580 -5.917908 11.65848 
1 1 1  -16   14   14 o  150.534   5.2805  155.936   9.8891  158.901   11.896  149.303   17.792  152.984   5.7382  148.083   8.8660 4.900757 10.56091 
1 1 1  -16   14   15 o  348.940   6.0462  823.626   25.328  817.756   29.560  839.834   49.120  346.978   6.2867  350.901   10.330 -3.922546 12.09243 
1 1 1  -16   14   16 o  177.796   5.1098  212.372   11.281  208.705   13.428  221.169   20.800  175.330   5.6514  180.261   8.5148 -4.930969 10.21959 
1 1 1  -16   14   17 o  122.536   5.5111  103.610   8.4757  106.199   10.284   98.128   14.965  125.049   6.0688  120.023   9.2011 5.026329 11.02223 
1 1 1  -16   14   18 o   79.629   6.3774   41.636   6.6740   37.310   8.3102   49.496   11.201   74.044   8.2821   85.214   9.7001 -11.16987 12.75481 
1 1 1  -16   14   19 o  286.455   5.5486  547.928   19.215  535.909   22.440  580.958   37.202  280.922   5.8947  291.989   9.4021 -11.06720 11.09713 
1 1 1  -16   14   20 o  211.794   5.1695  299.400   13.465  291.982   15.890  318.299   25.361  207.372   5.6544  216.216   8.6557 -8.843597 10.33894 
1 1 1  -16   14   21 o   85.704   7.1530   50.175   8.2952   52.553   11.627   47.711   11.838   87.794   9.7732   83.614   10.447 4.179634 14.30602 
1 1 1  -16   14   22 o  313.340   6.2317  663.569   25.555  649.449   32.049  688.220   42.346  308.996   7.6538  317.684   9.8364 -8.688568 12.46341 
1 1 1  -16   14   23 o  207.438   5.2432  291.035   13.457  288.730   16.011  296.582   24.835  206.201   5.7300  208.676   8.7824 -2.475067 10.48633 
1 1 1  -16   14   24 o  140.599   5.3438  134.389   9.5208  134.253   11.569  134.674   16.758  140.586   6.0727  140.612   8.7947 -0.2682495E-01 10.68755 
1 1 1  -16   14   25 o  148.221   5.4441  152.477   10.171  158.105   12.428  141.060   17.701  152.565   6.0111  143.877   9.0786 8.688065 10.88826 
1 1 1  -16   14   26 o  288.298   5.6358  559.307   19.783  551.340   23.247  580.222   37.666  284.893   6.0215  291.704   9.5285 -6.810883 11.27168 
1 1 1  -16   14   27 o  177.793   5.2380  206.992   11.726  194.464   13.986  236.631   21.513  169.188   6.1001  186.398   8.5167 -17.21013 10.47595 
1 1 1  -16   14   28 o  298.049   6.1032  603.529   24.651  603.529   24.651   0.0000   0.0000  298.049   6.1032  ?   ?       ?      ? 
1 1 1  -16   14   29 o  214.518   7.2071  312.996   20.951  312.996   20.951   0.0000   0.0000  214.518   7.2071  ?   ?       ?      ? 
1 1 1  -16   14   30 o  227.902   5.7539  350.148   17.341  338.238   22.049  369.458   28.076  222.983   7.2969  232.822   8.8986 -9.838974 11.50784 
1 1 1  -16   14   31 o  224.023   6.6281  338.377   19.994  378.822   30.437  307.675   26.518  235.638   9.5317  212.409   9.2128 23.22939 13.25629 
1 1 1  -16   14   32 o   86.575   9.0807   54.486   9.7859   43.791   15.696   61.287   12.516   78.392   15.324   94.758   9.7472 -16.36589 18.16146 
1 1 1  -16   14   33 o   69.416   9.0041   35.896   8.0101   18.226   11.512   52.481   11.153   51.127   15.370   87.705   9.3839 -36.57747 18.00815 
1 1 1  -16   14   34 o  177.684   5.3587  211.359   12.186  204.466   14.842  225.619   21.349  173.436   6.3151  181.932   8.6592 -8.495316 10.71734 
1 1 1  -16   14   35 o  170.879   5.5404  203.940   12.061  215.131   14.960  183.162   20.384  177.907   6.2052  163.851   9.1804 14.05525 11.08084 
1 1 1  -16   14   36 o  165.638   5.3445  180.923   11.431  168.655   13.963  205.860   19.907  157.489   6.5426  173.788   8.4529 -16.29924 10.68906 
1 1 1  -16   14   37 o   80.628   7.0109   42.801   7.4999   33.067   9.6791   57.428   11.864   69.547   10.270   91.708   9.5466 -22.16116 14.02178 
1 1 1  -16   14   38 o  141.079   5.4220  131.655   9.9358  122.750   12.224  148.997   17.058  134.334   6.7147  147.825   8.5150 -13.49130 10.84406 
1 1 1  -16   14   39 o   98.835   6.9712   66.824   9.3268   69.828   13.124   63.757   13.257  101.105   9.5787   96.564   10.131 4.541435 13.94237 
1 1 1  -16   14   40 o   86.384   7.5935   51.134   8.8769   54.280   12.567   48.002   12.540   89.064   10.413   83.703   11.056 5.360970 15.18708 
1 1 1  -16   14   41 o  143.628   6.0121  139.801   11.560  135.048   15.102  146.528   17.966  140.764   7.9168  146.493   9.0501 -5.729202 12.02417 
1 1 1  -16   14   42 o  229.284   4.9372  358.591   15.304  345.274   22.159  370.737   21.162  225.162   7.2622  233.407   6.6907 -8.245071 9.874437 
1 1 1  -16   14   43 o   74.823   7.9226   41.265   7.3270   30.507   11.562   48.485   9.4719   65.347   13.503   84.300   8.2914 -18.95272 15.84519 
1 1 1  -16   14   44 o  204.445   4.9488  283.892   13.656  292.946   20.370  276.501   18.404  207.359   7.2490  201.530   6.7389 5.829178 9.897546 
1 1 1  -16   14   45 o  125.946   6.7574  107.276   11.156  103.693   13.989  113.536   18.490  123.236   8.3768  128.657   10.606 -5.420967 13.51474 
1 1 1  -16   14   46 o   96.120   7.7562   63.760   9.7882   64.702   12.449   62.235   15.841   97.223   9.4493   95.018   12.302 2.205475 15.51237 
1 1 1  -16   14   47 o  217.024   4.9713  322.546   14.550  297.479   21.053  345.470   20.133  208.836   7.4391  225.212   6.5967 -16.37517 9.942665 
1 1 1  -16   14   48 o   98.934   6.2333   68.672   8.0925   58.852   12.582   75.601   10.569   92.606   10.026  105.262   7.4091 -12.65586 12.46653 
1 1 1  -16   14   49 o   77.321   7.1164   40.882   7.3152   41.998   11.588   40.142   9.4320   78.099   10.949   76.543   9.0932 1.555763 14.23284 
1 1 1  -16   14   50 o   94.722   6.4259   63.002   7.9798   54.653   12.491   68.758   10.372   89.127   10.342  100.316   7.6301 -11.18892 12.85187 
1 1 1  -16   14   51 o   99.640   6.1721   68.772   8.1628   64.161   12.656   72.056   10.682   96.620   9.6659  102.660   7.6780 -6.040733 12.34428 
1 1 1  -16   14   52 o  118.914   6.4230   97.359   10.245   98.985   13.625   95.244   15.541  120.180   8.3663  117.648   9.7481 2.531448 12.84606 
1 1 1  -16   14   53 o   90.775   7.2883   56.175   8.9012   48.074   11.917   66.399   13.387   83.424   10.541   98.126   10.068 -14.70155 14.57651 
1 1 1  -16   14   54 o  181.961   5.8632  225.820   14.157  220.441   18.163  234.146   22.599  179.436   7.4697  184.486   9.0394 -5.050552 11.72631 
1 1 1  -16   14   55 o  107.530   8.1833   91.144   10.012   58.536   18.159  105.385   12.000   90.982   14.728  124.079   7.1370 -33.09721 16.36650 
1 1 1  -16   14   56 f  253.012   5.1560  437.741   17.599  448.919   26.294  428.669   23.688  255.814   7.5848  250.211   6.9862 5.602951 10.31193 
1 1 1  -16   14   57 o   63.423   8.6352   30.314   6.9587   22.597   11.123   35.277   8.9200   55.392   14.608   71.454   9.2119 -16.06269 17.27037 
1 1 1  -16   14   58 o  151.950   5.1535  159.854   10.514  144.949   15.463  172.670   14.339  145.144   7.8618  158.757   6.6652 -13.61263 10.30697 
1 1 1  -16   14   59 f   55.498   8.8207   21.365   6.4906   31.588   10.290   14.609   8.3647   66.117   11.923   44.878   13.002 21.23888 17.64138 
1 1 1  -16   14   60 o   99.618   6.0600   69.039   8.0995   65.765   12.170   71.643   10.852   97.321   9.2281  101.916   7.8573 -4.595390 12.11997 
1 1 1  -16   14   61 o   85.372   9.8141   53.182   11.015   50.990   16.344   55.005   14.909   82.779   15.128   87.965   12.507 -5.185989 19.62823 
1 1 1  -16   14   62 o   78.328   9.6415   51.180   8.3896   32.369   15.799   58.567   9.9009   64.662   17.572   91.994   7.9421 -27.33213 19.28308 
1 1 1  -16   14   63 o   64.378   7.8913   29.059   6.6726   34.529   10.472   25.319   8.6577   69.842   11.064   58.914   11.255 10.92844 15.78256 
1 1 1  -16   14   64 f  100.901   5.9016   70.584   8.0202   73.453   12.121   68.350   10.696  102.594   8.7185   99.208   7.9563 3.386681 11.80318 
1 1 1  -16   14   65 o   31.798   8.3981   2.9716   5.8618  -8.7415   8.9564   11.749   7.7530   23.324   10.983   40.271   12.708 -16.94656 16.79615 
1 1 1  -16   14   66 o   57.283   8.5227   25.523   6.5472   14.872   9.7300   34.336   8.8506   44.762   14.248   69.805   9.3563 -25.04271 17.04535 
1 1 1  -16   14   67 o   99.092   5.9267   69.060   7.9173   66.062   11.640   71.641   10.801   96.888   8.8651  101.297   7.8685 -4.408722 11.85338 
1 1 1  -16   14   68 o   77.456   8.8016   44.051   8.0338   45.434   15.169   43.512   9.4712   76.400   15.186   78.511   8.9021 -2.111320 17.60315 
1 1 1  -16   14   69 o  191.095   6.3377  260.340   15.129  253.722   26.988  263.372   18.270  187.648   10.613  194.542   6.9300 -6.893616 12.67544 
1 1 1  -16   14   70 o   91.426   7.9696   61.976   8.8870   58.127   16.239   63.622   10.618   87.864   13.639   94.988   8.2489 -7.123711 15.93919 
1 1 1  -16   14   71 o  113.287   6.9374   87.695   9.7955  104.281   18.365   81.101   11.580  119.296   11.360  107.278   7.9656 12.01778 13.87479 
1 1 1  -16   14   72 o   46.467   10.618   14.696   7.0286   24.122   13.420   11.132   8.2507   54.051   16.666   38.883   13.160 15.16801 21.23546 
1 1 1  -16   14   73 o  107.157   11.782   85.290   17.109   85.290   17.109   0.0000   0.0000  107.157   11.782  ?   ?       ?      ? 
1 1 1  -16   14   74 o   40.085   15.775   10.267   12.575   10.267   12.575   0.0000   0.0000   40.085   15.775  ?   ?       ?      ? 
1 1 1  -16   14   75 o   37.335   15.315   7.2132   12.388   7.2132   12.388   0.0000   0.0000   37.335   15.315  ?   ?       ?      ? 
1 1 1  -16   14   76 o   46.911   16.445   17.929   12.920   17.929   12.920   0.0000   0.0000   46.911   16.445  ?   ?       ?      ? 
1 1 1  -16   14   77 o   62.956   16.482   33.977   14.227   33.977   14.227   0.0000   0.0000   62.956   16.482  ?   ?       ?      ? 
1 1 1  -16   14   78 o   80.770   14.700   53.264   15.497   53.264   15.497   0.0000   0.0000   80.770   14.700  ?   ?       ?      ? 
1 1 1  -16   15    1 o  271.118   4.9794  499.874   18.269  499.742   25.174  500.021   26.552  271.106   6.8523  271.129   7.2268 -0.2270508E-01 9.958896 
1 1 1  -16   15    2 o  157.361   4.9485  169.919   10.446  193.427   14.573  145.075   14.981  168.706   6.3742  146.016   7.5710 22.69006 9.897018 
1 1 1  -16   15    3 o  364.652   7.6996  904.906   38.048  904.906   38.048   0.0000   0.0000  364.652   7.6996  ?   ?       ?      ? 
1 1 1  -16   15    4 o   65.976   10.237   39.889   7.9646   47.149   8.9040   10.824   17.815   83.228   7.8946   48.723   18.890 34.50471 20.47333 
1 1 1  -16   15    5 o  172.487   6.7981  204.960   13.452  206.776   15.410  199.147   27.575  174.421   6.5195  170.553   11.931 3.868286 13.59616 
1 1 1  -16   15    6 o   99.374   6.2558   63.305   8.0644   54.529   9.8260   81.414   14.115   89.495   8.1021  109.253   9.5338 -19.75876 12.51154 
1 1 1  -16   15    7 o  217.016   5.6178  323.769   15.726  331.393   19.583  309.924   26.389  220.809   6.5446  213.222   9.1327 7.587280 11.23558 
1 1 1  -16   15    8 o   44.892   8.8628   11.944   5.9225   4.9761   7.4981   23.502   9.6569   32.331   12.327   57.453   12.738 -25.12154 17.72553 
1 1 1  -16   15    9 o  207.013   5.5243  283.492   14.828  265.265   18.211  319.342   25.540  197.529   6.8033  216.498   8.7055 -18.96854 11.04854 
1 1 1  -16   15   10 o  108.555   8.0625   80.981   11.584   78.791   18.341   82.434   14.941  107.213   12.624  109.897   10.032 -2.683975 16.12499 
1 1 1  -16   15   11 o  189.061   10.461  244.132   26.802  244.132   26.802   0.0000   0.0000  189.061   10.461  ?   ?       ?      ? 
1 1 1  -16   15   12 o   84.120   7.1428   47.742   8.0288   45.140   10.400   51.580   12.631   81.356   9.4335   86.883   10.728 -5.526756 14.28558 
1 1 1  -16   15   13 o  342.750   6.4166  785.688   28.226  755.467   34.434  847.578   49.277  333.198   7.6261  352.302   10.322 -19.10391 12.83321 
1 1 1  -16   15   14 o  141.720   5.9734  140.316   11.053  152.481   14.252  121.954   17.510  149.741   7.0235  133.698   9.6643 16.04271 11.94689 
1 1 1  -16   15   15 o  264.036   5.8730  470.529   20.098  460.525   24.885  489.293   34.082  260.224   7.0568  267.849   9.3898 -7.624207 11.74591 
1 1 1  -16   15   16 o  165.675   5.6881  187.404   12.385  189.069   15.746  184.700   20.059  166.743   6.9683  164.607   8.9922 2.135666 11.37621 
1 1 1  -16   15   17 o  273.789   5.9201  504.032   21.035  488.559   26.033  533.134   35.703  268.005   7.1681  279.573   9.4238 -11.56732 11.84017 
1 1 1  -16   15   18 o  188.745   5.7906  238.649   14.580  221.702   18.764  264.469   23.161  180.485   7.6717  197.004   8.6756 -16.51889 11.58111 
1 1 1  -16   15   19 o   99.818   6.8733   66.963   9.1141   50.358   12.159   88.258   13.769   85.853   10.451  113.784   8.9300 -27.93125 13.74650 
1 1 1  -16   15   20 o  188.415   5.3228  243.141   12.342  245.346   14.692  237.854   22.750  190.051   5.7046  186.780   8.9881 3.270538 10.64560 
1 1 1  -16   15   21 o   95.456   6.2947   63.140   7.6890   65.400   9.5272   58.916   13.022   98.050   7.1702   92.862   10.348 5.187454 12.58934 
1 1 1  -16   15   22 o  155.867   5.4231  165.214   10.676  164.934   12.934  165.814   18.915  155.790   6.1263  155.945   8.9505 -0.1551208 10.84629 
1 1 1  -16   15   23 o   92.683   7.1832   58.722   9.0135   59.867   12.558   57.505   12.945   93.634   9.8969   91.731   10.414 1.903740 14.36634 
1 1 1  -16   15   24 o  203.416   5.3192  271.069   13.528  255.593   16.053  308.990   25.129  193.932   6.1083  212.901   8.7099 -18.96892 10.63832 
1 1 1  -16   15   25 o  273.398   6.1053  507.992   22.619  507.992   22.619   0.0000   0.0000  273.398   6.1053  ?   ?       ?      ? 
1 1 1  -16   15   26 o  174.214   7.3789  206.568   17.420  206.568   17.420   0.0000   0.0000  174.214   7.3789  ?   ?       ?      ? 
1 1 1  -16   15   27 o  201.003   6.7386  274.392   18.253  288.842   27.566  263.111   24.357  205.632   9.8924  196.373   9.1529 9.258530 13.47718 
1 1 1  -16   15   28 o  225.664   5.4419  343.413   15.287  338.379   18.243  355.281   28.012  223.130   6.0333  228.197   9.0584 -5.066605 10.88371 
1 1 1  -16   15   29 o  257.496   5.6097  459.385   17.784  470.754   21.267  432.950   32.429  263.185   5.9630  251.808   9.5035 11.37680 11.21936 
1 1 1  -16   15   30 o   46.842   8.9085   12.995   6.5722   2.3097   8.6318   27.735   10.138   31.185   12.787   62.499   12.408 -31.31363 17.81703 
1 1 1  -16   15   31 o   52.151   8.1519   20.153   7.0109   37.174   9.2575  -2.7378   10.736   73.790   9.2579   30.512   13.420 43.27858 16.30375 
1 1 1  -16   15   32 o  169.751   5.5540  200.595   11.897  208.750   14.568  184.266   20.614  175.227   6.1348  164.275   9.2601 10.95201 11.10794 
1 1 1  -16   15   33 o  239.755   5.4573  378.781   16.114  362.016   18.956  422.453   30.596  230.756   6.0620  248.753   9.0764 -17.99742 10.91460 
1 1 1  -16   15   34 o  214.774   5.5278  316.527   14.826  320.053   17.852  308.688   26.617  216.960   6.0718  212.588   9.2391 4.371628 11.05568 
1 1 1  -16   15   35 o  180.482   5.4575  218.878   12.451  213.559   15.015  230.586   22.279  177.199   6.2529  183.764   8.9464 -6.565643 10.91500 
1 1 1  -16   15   36 o  151.979   6.1235  157.002   12.504  152.759   16.536  162.667   19.108  149.655   8.1539  154.302   9.1380 -4.647110 12.24702 
1 1 1  -16   15   37 o   73.811   9.1000   38.547   8.7761   46.382   12.413   30.716   12.410   82.213   11.142   65.409   14.391 16.80464 18.19999 
1 1 1  -16   15   38 o  278.252   5.7009  512.786   19.387  493.603   22.722  564.128   37.172  269.351   6.2251  287.153   9.5525 -17.80225 11.40186 
1 1 1  -16   15   39 o  183.837   5.5420  233.752   12.836  239.588   15.627  221.648   22.504  187.652   6.1452  180.022   9.2246 7.630081 11.08405 
1 1 1  -16   15   40 o   84.876   7.5068   51.959   8.1253   59.289   10.395   40.445   13.028   93.182   8.2318   76.570   12.556 16.61137 15.01351 
1 1 1  -16   15   41 o  143.264   5.7214  140.909   10.540  142.597   13.043  137.732   17.896  144.687   6.6522  141.840   9.3104 2.847336 11.44270 
1 1 1  -16   15   42 o  151.562   5.8353  158.583   11.223  161.715   13.733  152.284   19.472  154.072   6.5774  149.051   9.6405 5.021179 11.67053 
1 1 1  -16   15   43 o  191.602   6.2106  250.008   16.126  250.008   16.126   0.0000   0.0000  191.602   6.2106  ?   ?       ?      ? 
1 1 1  -16   15   44 o  126.454   5.8289  101.589   9.5651   83.820   11.650  138.346   16.756  110.761   7.7616  142.146   8.6984 -31.38541 11.65783 
1 1 1  -16   15   45 o   60.214   9.4413   25.804   7.4227   23.901   9.6920   28.502   11.544   57.629   12.748   62.800   13.929 -5.170826 18.88262 
1 1 1  -16   15   46 o  101.611   5.9796   70.667   8.1076   71.122   12.632   70.349   10.573  101.792   9.1573  101.430   7.6920 0.3626251 11.95922 
1 1 1  -16   15   47 o  129.099   6.5214  117.500   11.101  135.099   14.901   95.547   16.642  140.498   7.8262  117.700   10.434 22.79848 13.04288 
1 1 1  -16   15   48 o  218.514   5.9292  325.500   17.090  318.954   21.705  336.176   27.720  215.929   7.4178  221.098   9.2519 -5.169098 11.85835 
1 1 1  -16   15   49 o  153.930   6.1247  163.469   12.563  166.792   16.441  158.806   19.475  156.023   7.7759  151.836   9.4647 4.186264 12.24933 
1 1 1  -16   15   50 o   83.058   6.9262   47.611   7.6141   47.713   12.142   47.545   9.7748   82.964   10.800   83.151   8.6747 -0.1872025 13.85244 
1 1 1  -16   15   51 o   95.972   6.3698   60.321   8.0469   85.414   13.006   44.761   10.242  111.409   8.6150   80.535   9.3851 30.87447 12.73963 
1 1 1  -16   15   52 o  120.856   6.9371  102.055   10.063   98.988   19.217  103.214   11.812  118.985   11.918  122.728   7.1025 -3.743721 13.87429 
1 1 1  -16   15   53 o  116.719   7.1508   99.506   9.9548   83.575   18.412  106.086   11.833  109.045   12.460  124.393   7.0199 -15.34765 14.30150 
1 1 1  -16   15   54 o   61.834   8.5827   28.409   6.7906   23.280   10.921   31.643   8.6704   56.105   14.317   67.563   9.4699 -11.45787 17.16547 
1 1 1  -16   15   55 o   69.610   7.4674   33.582   6.9130   35.184   10.978   32.529   8.8991   70.795   11.443   68.425   9.5973 2.369843 14.93475 
1 1 1  -16   15   56 f   83.220   6.7715   49.108   7.4048   43.867   11.620   52.692   9.6086   79.101   10.840   87.339   8.1183 -8.238190 13.54308 
1 1 1  -16   15   57 o  117.668   7.0905   95.548   9.9927   99.529   19.468   94.124   11.644  118.470   12.126  116.865   7.3523 1.604294 14.18100 
1 1 1  -16   15   58 f   62.151   11.717   29.601   9.9964   29.479   15.195   29.694   13.273   61.826   17.401   62.477   15.697 -0.6503448 23.43487 
1 1 1  -16   15   59 o   62.812   8.3912   29.236   6.8476   24.492   10.399   32.867   9.0984   57.166   13.618   68.458   9.8075 -11.29193 16.78242 
1 1 1  -16   15   60 o   60.875   8.4157   27.712   6.6619   22.679   10.205   31.450   8.7943   54.839   13.756   66.911   9.6990 -12.07169 16.83148 
1 1 1  -16   15   61 f   58.999   8.5802   25.836   6.5923   25.571   9.9226   26.046   8.8204   58.435   12.878   59.562   11.342 -1.127281 17.16031 
1 1 1  -16   15   62 f   39.206   9.4322   10.764   6.0624   8.3144   9.1139   12.707   8.1192   36.797   13.684   41.614   12.985 -4.817345 18.86448 
1 1 1  -16   15   63 o   78.548   6.8120   44.195   7.1518   38.125   10.455   49.534   9.8048   73.079   10.557   84.017   8.6117 -10.93774 13.62395 
1 1 1  -16   15   64 o   97.128   6.0976   67.071   7.9277   57.472   11.478   75.826   10.963   90.072   9.4036  104.183   7.7649 -14.11137 12.19512 
1 1 1  -16   15   65 o  122.581   5.5476  105.585   9.1755  100.615   13.402  109.970   12.588  119.637   8.2667  125.526   7.4003 -5.889549 11.09518 
1 1 1  -16   15   66 o  141.357   6.8060  146.095   11.783  133.829   21.321  151.489   14.139  135.321   11.626  147.393   7.0788 -12.07179 13.61192 
1 1 1  -16   15   67 o   62.127   10.013   30.327   7.7713   28.437   14.477   31.092   9.2107   58.638   17.140   65.616   10.359 -6.977455 20.02668 
1 1 1  -16   15   68 o   40.234   10.485   10.904   7.0132   11.938   13.245   10.500   8.2673   42.318   16.321   38.150   13.167 4.168259 20.97025 
1 1 1  -16   15   69 o   98.202   7.7849   72.270   9.3770   66.235   16.848   74.979   11.287   93.456   13.303  102.949   8.0903 -9.493202 15.56986 
1 1 1  -16   15   70 o   76.868   9.7281   44.723   9.8215   53.215   15.468   38.986   12.713   83.296   13.703   70.441   13.812 12.85453 19.45624 
1 1 1  -16   15   71 o   68.413   15.885   38.627   14.445   38.627   14.445   0.0000   0.0000   68.413   15.885  ?   ?       ?      ? 
1 1 1  -16   15   72 o   61.048   16.999   31.942   14.583   31.942   14.583   0.0000   0.0000   61.048   16.999  ?   ?       ?      ? 
1 1 1  -16   15   73 o   67.489   15.954   38.128   14.361   38.128   14.361   0.0000   0.0000   67.489   15.954  ?   ?       ?      ? 
1 1 1  -16   15   74 o   75.050   15.163   46.309   14.890   46.309   14.890   0.0000   0.0000   75.050   15.163  ?   ?       ?      ? 
1 1 1  -16   15   75 o   38.620   15.451   9.5804   12.253   9.5804   12.253   0.0000   0.0000   38.620   15.451  ?   ?       ?      ? 
1 1 1  -16   16    1 o  197.202   4.9104  265.797   13.052  279.245   17.853  250.360   19.128  202.635   6.5016  191.769   7.3605 10.86575 9.820749 
1 1 1  -16   16    2 o  233.492   4.9180  371.122   15.524  373.417   21.266  368.504   22.713  234.301   6.6979  232.684   7.2033 1.617279 9.836097 
1 1 1  -16   16    3 o   86.923   6.4235   51.486   7.5317   50.804   10.146   52.324   11.241   86.310   8.6743   87.536   9.4765 -1.226822 12.84706 
1 1 1  -16   16    4 o  278.079   5.0852  525.976   19.134  520.692   26.294  531.925   27.897  276.626   7.0144  279.533   7.3645 -2.907410 10.17039 
1 1 1  -16   16    5 o   91.818   6.1301   56.669   7.5634   47.881   10.082   67.979   11.438   83.779   8.8806   99.857   8.4525 -16.07811 12.26010 
1 1 1  -16   16    6 f  131.232   5.2091  117.734   9.2199  124.174   12.673  110.492   13.439  135.097   6.9222  127.368   7.7860 7.729118 10.41814 
1 1 1  -16   16    7 o  182.523   4.8844  226.216   12.052  220.688   16.402  232.704   17.769  180.124   6.7197  184.922   7.0905 -4.797821 9.768846 
1 1 1  -16   16    8 o  115.126   5.4848   90.441   8.5222   92.381   11.615   88.179   12.542  116.495   7.3577  113.756   8.1361 2.738922 10.96959 
1 1 1  -16   16    9 o  186.002   4.8989  235.061   12.329  229.982   16.892  240.850   18.034  183.872   6.7794  188.133   7.0738 -4.261322 9.797894 
1 1 1  -16   16   10 o  136.858   5.6012  127.001   9.2998  126.267   10.927  128.930   17.714  136.306   5.9155  137.410   9.5131 -1.103546 11.20231 
1 1 1  -16   16   11 o   87.843   6.7243   53.192   7.3074   53.946   8.7449   51.446   13.303   89.027   7.2485   86.659   11.328 2.368408 13.44858 
1 1 1  -16   16   12 o  275.147   5.6840  518.452   18.796  521.576   22.025  510.082   36.056  277.037   5.8668  273.257   9.7371 3.779633 11.36795 
1 1 1  -16   16   13 o   96.473   6.3370   61.536   7.7676   58.130   9.3507   69.120   13.953   92.401   7.4677  100.545   10.240 -8.143852 12.67403 
1 1 1  -16   16   14 o  237.943   5.8805  381.275   18.393  367.557   23.148  404.774   30.296  232.363   7.3512  243.524   9.1803 -11.16101 11.76090 
1 1 1  -16   16   15 o  198.965   5.8290  268.815   15.345  265.224   19.620  274.474   24.626  197.383   7.3352  200.548   9.0612 -3.165497 11.65806 
1 1 1  -16   16   16 o   33.468   9.3536   2.6057   6.1653  -0.8060   7.6198   9.0736   10.491   26.705   11.530   40.230   14.731 -13.52499 18.70715 
1 1 1  -16   16   17 o  114.991   8.5747   90.179   13.362   90.179   13.362   0.0000   0.0000  114.991   8.5747  ?   ?       ?      ? 
1 1 1  -16   16   18 o   49.640   8.9112   19.192   6.9835   28.049   8.5068   0.8864   12.230   64.066   9.7985   35.215   14.887 28.85094 17.82236 
1 1 1  -16   16   19 o  190.556   5.4947  250.669   12.840  255.318   15.287  239.534   23.659  193.822   5.8202  187.290   9.3216 6.532074 10.98940 
1 1 1  -16   16   20 o  161.964   5.5269  179.548   11.107  180.791   13.293  176.673   20.215  163.079   6.0149  160.848   9.2740 2.231216 11.05383 
1 1 1  -16   16   21 o  126.382   7.8782  108.842   13.493  108.842   13.493   0.0000   0.0000  126.382   7.8782  ?   ?       ?      ? 
1 1 1  -16   16   22 o   72.314   14.760   37.404   13.975   37.404   13.975   0.0000   0.0000   72.314   14.760  ?   ?       ?      ? 
1 1 1  -16   16   23 f   61.280   9.0266   26.807   7.0537   27.937   8.7449   24.703   11.933   63.904   10.098   58.655   14.965 5.249535 18.05317 
1 1 1  -16   16   24 f   85.444   7.8360   55.644   7.8449   65.550   9.7739   37.707   13.152   98.104   7.3518   72.784   13.840 25.32079 15.67191 
1 1 1  -16   16   25 o   66.812   8.4823   30.431   7.1951   27.046   8.9975   36.435   11.983   61.894   11.137   71.731   12.797 -9.836540 16.96453 
1 1 1  -16   16   26 o  168.438   5.5036  191.951   11.679  189.522   14.080  197.307   20.908  166.925   6.2245  169.952   9.0782 -3.027527 11.00717 
1 1 1  -16   16   27 o  158.971   5.4924  169.475   11.061  164.595   13.352  180.154   19.750  155.544   6.3343  162.399   8.9745 -6.855453 10.98475 
1 1 1  -16   16   28 o  198.288   5.4728  265.726   13.520  262.191   16.152  274.002   24.714  196.339   6.0705  200.238   9.1079 -3.898666 10.94560 
1 1 1  -16   16   29 f  122.042   6.0308  102.850   9.3476  105.129   11.454   98.307   16.174  124.258   6.8024  119.825   9.9603 4.432701 12.06158 
1 1 1  -16   16   30 o   76.045   7.5423   39.279   7.5663   38.028   9.5871   41.344   12.321   74.553   9.4894   77.538   11.726 -2.984795 15.08463 
1 1 1  -16   16   31 o  145.605   5.6692  144.598   10.471  144.449   12.738  144.909   18.388  145.671   6.4525  145.538   9.3233 0.1337891 11.33838 
1 1 1  -16   16   32 o  100.104   6.4910   64.586   8.4644   55.141   10.369   83.448   14.653   89.837   8.5174  110.370   9.7973 -20.53267 12.98204 
1 1 1  -16   16   33 o  198.280   5.9926  265.049   15.782  251.514   20.176  286.387   25.333  191.982   7.7552  204.578   9.1379 -12.59599 11.98515 
1 1 1  -16   16   34 o   46.768   10.895   14.681   8.0047   14.520   11.299   14.842   11.342   46.577   15.395   46.959   15.419 -0.3823471 21.78907 
1 1 1  -16   16   35 o   89.780   7.4004   58.271   8.4354   66.072   10.717   45.571   13.675   98.344   8.0417   81.215   12.426 17.12927 14.80084 
1 1 1  -16   16   36 f  133.098   5.7690  115.233   9.9276  103.005   12.080  140.678   17.425  122.869   7.2550  143.327   8.9715 -20.45864 11.53791 
1 1 1  -16   16   37 o  249.829   5.6496  420.994   17.410  413.203   20.622  440.323   32.481  246.298   6.1787  253.359   9.4603 -7.061035 11.29924 
1 1 1  -16   16   38 o   82.003   7.5088   46.185   8.0559   45.841   10.136   46.777   13.274   81.759   9.1485   82.248   11.909 -0.4890137 15.01767 
1 1 1  -16   16   39 o  109.198   6.4346   79.224   9.0817   73.720   11.104   90.344   15.782  103.819   7.8929  114.578   10.164 -10.75914 12.86914 
1 1 1  -16   16   40 o   91.979   9.8041   58.198   12.220   58.198   12.220   0.0000   0.0000   91.979   9.8041  ?   ?       ?      ? 
1 1 1  -16   16   41 o   93.524   7.3555   59.386   9.2406   53.261   12.130   67.857   14.265   87.903   10.183   99.146   10.617 -11.24306 14.71091 
1 1 1  -16   16   42 o   69.291   9.3723   33.708   8.5371   23.024   11.459   47.036   12.798   56.207   14.829   82.374   11.465 -26.16702 18.74462 
1 1 1  -16   16   43 o  259.317   6.1690  465.215   20.931  474.831   26.532  449.365   34.062  263.383   7.4335  255.252   9.8472 8.131714 12.33792 
1 1 1  -16   16   44 o  163.724   5.6988  181.090   11.972  175.355   14.627  192.731   20.837  160.165   6.7391  167.283   9.1919 -7.117813 11.39763 
1 1 1  -16   16   45 o  136.331   5.9272  125.527   10.531  119.959   13.072  135.824   17.778  132.336   7.2890  140.326   9.3487 -7.990402 11.85445 
1 1 1  -16   16   46 f  108.872   6.5962   83.498   9.3682   88.912   11.989   75.010   15.013  113.806   7.7737  103.938   10.659 9.867607 13.19247 
1 1 1  -16   16   47 o  150.852   5.7082  154.233   11.089  149.396   13.604  163.811   19.143  147.704   6.7964  154.001   9.1730 -6.296463 11.41649 
1 1 1  -16   16   48 o   64.681   9.0778   29.812   7.5593   27.155   9.7249   33.869   12.016   61.228   12.150   68.133   13.491 -6.905346 18.15554 
1 1 1  -16   16   49 o  132.359   5.9242  118.322   10.140  112.701   12.457  129.356   17.454  128.116   7.1753  136.602   9.4286 -8.486633 11.84837 
1 1 1  -16   16   50 o  137.475   7.3288  133.106   13.433  123.709   20.476  140.205   17.798  132.766   11.381  142.182   9.2372 -9.415955 14.65756 
1 1 1  -16   16   51 o   38.593   8.9389   10.079   6.1060  -1.1106   10.451   15.878   7.5235   30.612   13.358   46.575   11.882 -15.96285 17.87776 
1 1 1  -16   16   52 o  176.088   6.5058  215.883   13.739  215.114   26.435  216.167   16.081  174.800   11.160  177.375   6.6901 -2.575012 13.01154 
1 1 1  -16   16   53 o   75.174   10.052   41.931   8.1319   40.756   17.761   42.242   9.1469   72.358   18.146   77.989   8.6548 -5.630981 20.10428 
1 1 1  -16   16   54 o   52.226   9.5254   23.755   7.3673   2.6537   15.307   30.117   8.4048   38.817   16.542   65.635   9.4495 -26.81844 19.05081 
1 1 1  -16   16   55 o  129.202   6.6542  115.851   11.317  112.548   14.309  121.366   18.493  127.232   8.2993  131.172   10.404 -3.939957 13.30846 
1 1 1  -16   16   56 o  102.696   7.2788   73.722   9.9011   70.856   12.629   78.294   15.950  100.532   9.2700  104.860   11.224 -4.328575 14.55752 
1 1 1  -16   16   57 o   49.781   9.2731   19.046   6.3585   15.668   9.9816   21.353   8.2488   45.902   14.410   53.659   11.676 -7.756748 18.54616 
1 1 1  -16   16   58 o   67.103   8.0001   33.679   6.8401   28.167   10.618   37.590   8.9431   61.076   13.213   73.131   9.0242 -12.05460 16.00028 
1 1 1  -16   16   59 o   62.768   8.2703   29.727   6.6930   24.609   10.302   33.465   8.8040   56.741   13.580   68.795   9.4437 -12.05387 16.54054 
1 1 1  -16   16   60 o   51.203   9.3073   20.075   6.4376   19.692   10.005   20.346   8.4100   50.507   14.086   51.899   12.169 -1.392456 18.61454 
1 1 1  -16   16   61 o   69.765   7.9506   37.410   6.9362   24.290   10.132   48.981   9.5152   56.121   13.490   83.409   8.4182 -27.28864 15.90115 
1 1 1  -16   16   62 o   65.489   7.8942   31.766   6.7897   28.589   9.8566   34.634   9.3664   61.455   12.265   69.523   9.9417 -8.068642 15.78845 
1 1 1  -16   16   63 o   68.906   7.7964   35.508   6.9598   29.364   10.156   40.949   9.5566   62.054   12.509   75.758   9.3088 -13.70392 15.59286 
1 1 1  -16   16   64 f   39.565   10.460   7.8444   6.9186   18.466   13.496   4.0581   8.0579   48.424   16.817   30.707   12.443 17.71700 20.92041 
1 1 1  -16   16   65 f   56.361   10.261   20.673   7.3270   39.556   14.452   14.141   8.5004   69.879   15.651   42.843   13.273 27.03595 20.52106 
1 1 1  -16   16   66 o   37.579   9.5223  -0.0340   6.6080   24.543   12.936  -8.7106   7.6864   54.418   16.279   20.741   9.8848 33.67694 19.04467 
1 1 1  -16   16   67 o   62.191   11.122   31.189   9.3442   38.455   14.408   25.914   12.276   68.335   15.864   56.047   15.594 12.28800 22.24445 
1 1 1  -16   16   68 o   43.993   10.702   14.582   8.7089   1.8931   13.758   23.067   11.250   34.928   15.281   53.058   14.986 -18.13008 21.40351 
1 1 1  -16   16   69 o   31.762   14.064  -0.1131   11.981  -0.1131   11.981   0.0000   0.0000   31.762   14.064  ?   ?       ?      ? 
1 1 1  -16   16   70 o   74.467   15.662   45.990   15.304   45.990   15.304   0.0000   0.0000   74.467   15.662  ?   ?       ?      ? 
1 1 1  -16   16   71 o   65.848   16.543   37.315   14.743   37.315   14.743   0.0000   0.0000   65.848   16.543  ?   ?       ?      ? 
1 1 1  -16   16   72 o   28.921   13.245  -3.9243   11.701  -3.9243   11.701   0.0000   0.0000   28.921   13.245  ?   ?       ?      ? 
1 1 1  -16   17    1 o   81.005   6.7249   44.320   7.3335   39.279   9.7410   50.915   11.142   75.760   9.4882   86.250   9.5328 -10.48988 13.44990 
1 1 1  -16   17    2 o  113.820   5.5753   87.328   8.5479   77.449   11.396  100.036   12.925  106.547   7.8926  121.092   7.8767 -14.54517 11.15056 
1 1 1  -16   17    3 o  136.868   5.2372  128.154   9.6614  132.956   13.155  122.530   14.235  139.711   6.9483  134.025   7.8380 5.686142 10.47437 
1 1 1  -16   17    4 o  172.227   4.9955  203.053   11.600  216.158   15.981  188.460   16.864  178.186   6.6184  166.268   7.4846 11.91777 9.991095 
1 1 1  -16   17    5 o   75.397   7.0448   38.300   7.1229   31.595   9.4709   47.032   10.808   67.896   10.294   82.898   9.6207 -15.00220 14.08952 
1 1 1  -16   17    6 o  102.196   5.8696   71.003   8.0986   68.133   10.909   74.527   12.088   99.926   8.0561  104.465   8.5388 -4.538925 11.73930 
1 1 1  -16   17    7 o  175.806   5.0422  211.972   11.910  241.710   16.749  181.562   16.938  188.435   6.5593  163.178   7.6596 25.25717 10.08435 
1 1 1  -16   17    8 o   68.301   8.0381   32.137   7.1270   23.712   9.5420   42.766   10.718   57.584   12.580   79.019   10.010 -21.43580 16.07630 
1 1 1  -16   17    9 o  173.825   5.0952  205.693   11.994  201.127   16.596  210.685   17.353  171.818   7.1279  175.832   7.2827 -4.014282 10.19041 
1 1 1  -16   17   10 o   99.474   7.4314   70.498   9.6109   81.924   12.676   55.049   14.740  109.526   8.5404   89.421   12.164 20.10485 14.86284 
1 1 1  -16   17   11 o   71.507   9.1740   35.990   8.4910   33.979   11.186   38.724   13.043   69.246   12.374   73.767   13.547 -4.520355 18.34794 
1 1 1  -16   17   12 o  182.874   5.4308  225.135   12.016  221.644   14.062  234.581   23.131  180.538   5.7478  185.210   9.2161 -4.671509 10.86158 
1 1 1  -16   17   13 o  135.291   5.6822  120.861   9.4590  115.616   11.123  134.565   17.978  130.343   6.2973  140.238   9.4601 -9.895050 11.36442 
1 1 1  -16   17   14 o  118.924   5.9496   96.731   8.7672   96.961   10.472   96.191   16.032  119.349   6.4747  118.498   9.9835 0.8507843 11.89926 
1 1 1  -16   17   15 o   81.789   7.2582   46.339   7.4711   47.199   9.0747   44.528   13.162   83.162   8.0523   80.415   12.078 2.746948 14.51647 
1 1 1  -16   17   16 o  237.918   6.6968  387.400   21.589  379.729   30.442  395.162   30.621  235.532   9.5376  240.304   9.4032 -4.772598 13.39354 
1 1 1  -16   17   17 o  163.233   6.8598  182.408   15.171  178.328   21.236  186.660   21.682  161.368   9.7114  165.098   9.6910 -3.730621 13.71956 
1 1 1  -16   17   18 o  229.040   5.8692  356.857   18.217  356.857   18.217   0.0000   0.0000  229.040   5.8692  ?   ?       ?      ? 
1 1 1  -16   17   19 o   69.700   8.6231   34.785   7.3085   35.978   8.8471   32.220   12.969   72.527   9.0015   66.873   14.711 5.653763 17.24625 
1 1 1  -16   17   20 o  154.152   5.5808  159.443   10.693  155.430   12.718  169.125   19.756  151.113   6.2104  157.191   9.2744 -6.077835 11.16169 
1 1 1  -16   17   21 o  183.934   5.4649  225.519   12.409  218.237   14.660  243.916   23.303  179.075   6.0413  188.793   9.1085 -9.717453 10.92988 
1 1 1  -16   17   22 o  151.899   5.7624  157.471   10.917  157.254   13.093  157.967   19.778  151.968   6.3576  151.831   9.6126 0.1370850 11.52482 
1 1 1  -16   17   23 o  172.254   7.7722  202.564   18.142  202.564   18.142   0.0000   0.0000  172.254   7.7722  ?   ?       ?      ? 
1 1 1  -16   17   24 o  249.759   7.5867  425.775   25.678  425.775   25.678   0.0000   0.0000  249.759   7.5867  ?   ?       ?      ? 
1 1 1  -16   17   25 o   72.717   8.2891   33.216   7.5828   23.124   9.2361   54.086   13.281   56.796   12.352   88.637   11.057 -31.84127 16.57817 
1 1 1  -16   17   26 o   87.779   6.9444   50.022   7.8779   44.090   9.5685   62.505   13.879   80.250   8.7987   95.309   10.746 -15.05939 13.88877 
1 1 1  -16   17   27 o  100.020   6.4312   63.829   8.3250   53.679   10.104   85.283   14.690   88.575   8.4180  111.464   9.7252 -22.88937 12.86248 
1 1 1  -16   17   28 o  111.972   6.4920   89.743   9.1097   97.344   11.247   75.251   15.532  119.451   6.9483  104.494   10.968 14.95737 12.98404 
1 1 1  -16   17   29 o  104.856   6.9314   72.976   9.6797   60.530   12.420   92.233   15.449   93.862   9.7644  115.851   9.8404 -21.98909 13.86278 
1 1 1  -16   17   30 o  146.521   7.3249  148.973   14.393  138.135   21.468  157.824   19.399  141.443   11.200  151.598   9.4430 -10.15433 14.64973 
1 1 1  -16   17   31 o  132.591   6.3256  118.366   11.188  108.742   14.380  133.121   17.806  125.985   8.4231  139.198   9.4396 -13.21255 12.65124 
1 1 1  -16   17   32 o  109.383   6.7128   79.728   9.7858   68.407   12.536   97.391   15.658   99.784   9.2705  118.982   9.7111 -19.19805 13.42563 
1 1 1  -16   17   33 o  101.554   6.8913   68.660   9.3243   55.929   12.025   87.857   14.766   90.120   9.8466  112.988   9.6438 -22.86781 13.78254 
1 1 1  -16   17   34 o   80.695   8.4680   47.470   8.6664   55.805   11.567   36.803   13.085   90.047   9.4791   71.343   14.035 18.70384 16.93596 
1 1 1  -16   17   35 o   56.896   9.7100   22.742   7.2404   19.843   9.1531   27.589   11.835   52.313   12.975   61.479   14.450 -9.165810 19.42009 
1 1 1  -16   17   36 o   77.057   9.3701   40.904   9.7845   40.904   9.7845   0.0000   0.0000   77.057   9.3701  ?   ?       ?      ? 
1 1 1  -16   17   37 o   29.667   12.539   0.8424   8.6733   0.8424   8.6733   0.0000   0.0000   29.667   12.539  ?   ?       ?      ? 
1 1 1  -16   17   38 o   36.750   9.4847   6.5815   6.8454   13.480   8.9338  -3.2281   10.653   43.767   13.615   29.734   13.209 14.03338 18.96943 
1 1 1  -16   17   39 o   93.063   6.8677   57.805   8.4316   51.420   10.563   69.017   13.998   86.354   9.0265   99.772   10.353 -13.41743 13.73548 
1 1 1  -16   17   40 o   90.282   6.8990   53.304   8.1865   43.870   10.180   70.576   13.774   79.663   9.4296  100.902   10.073 -21.23820 13.79810 
1 1 1  -16   17   41 o   71.203   8.1712   34.504   7.5772   28.627   9.6430   43.990   12.251   63.051   11.717   79.354   11.392 -16.30285 16.34232 
1 1 1  -16   17   42 o   90.483   6.8302   54.370   8.1673   46.380   10.254   68.236   13.508   81.862   9.2431   99.103   10.058 -17.24056 13.66040 
1 1 1  -16   17   43 o   80.351   7.3826   43.857   7.8461   40.068   9.9008   50.252   12.864   75.977   9.6163   84.725   11.204 -8.748398 14.76520 
1 1 1  -16   17   44 o   63.920   8.9733   27.873   7.5154   21.258   9.5262   38.775   12.230   53.706   13.186   74.134   12.174 -20.42827 17.94658 
1 1 1  -16   17   45 o  110.105   6.3559   82.178   9.1816   76.866   11.465   91.678   15.331  105.518   8.0182  114.692   9.8640 -9.174187 12.71177 
1 1 1  -16   17   46 o   94.935   7.8294   63.206   9.7800   44.962   13.288   84.768   14.446   79.607   12.318  110.263   9.6682 -30.65565 15.65888 
1 1 1  -16   17   47 o  133.867   8.0328  122.636   14.055  141.514   23.811  112.540   17.413  140.973   12.464  126.761   10.137 14.21291 16.06550 
1 1 1  -16   17   48 o   26.768   8.7006 -11.0532   7.3701   0.9257   11.519 -19.3558   9.5900   33.349   14.284   20.188   9.9379 13.16089 17.40128 
1 1 1  -16   17   49 o  123.399   5.9885  103.837   9.6132   98.846   11.900  113.211   16.310  119.607   7.3418  127.191   9.4628 -7.584190 11.97692 
1 1 1  -16   17   50 o   56.956   9.5940   23.975   7.1590   22.404   9.1348   26.476   11.526   54.856   12.559   59.055   14.507 -4.198277 19.18805 
1 1 1  -16   17   51 o   67.645   8.3011   32.137   7.3201   28.538   9.2618   38.125   11.948   62.435   11.365   72.855   12.102 -10.42090 16.60229 
1 1 1  -16   17   52 o   84.736   7.4332   50.665   8.0577   50.013   9.8745   51.965   13.939   84.562   8.6171   84.911   12.114 -0.3492661 14.86646 
1 1 1  -16   17   53 o   70.398   9.9528   35.108   9.4948   35.108   9.4948   0.0000   0.0000   70.398   9.9528  ?   ?       ?      ? 
1 1 1  -16   17   54 f   63.726   8.7842   29.022   7.1466   24.242   8.9852   37.252   11.791   56.924   12.025   70.528   12.808 -13.60413 17.56835 
1 1 1  -16   17   55 o   40.583   9.3771   9.1465   6.9246  -1.5956   9.4444   21.634   10.183   28.233   12.495   52.933   13.986 -24.70037 18.75414 
1 1 1  -16   17   56 f   97.442   6.0227   66.774   7.8799   67.602   12.002   66.147   10.447   97.728   9.0629   97.157   7.9345 0.5716934 12.04538 
1 1 1  -16   17   57 o   49.598   9.2611   19.239   6.3464   16.196   9.7370   21.486   8.3680   45.903   14.203   53.294   11.889 -7.390820 18.52219 
1 1 1  -16   17   58 o   40.427   9.0163   11.942   6.2005   2.8264   9.5335   18.625   8.1628   31.510   13.223   49.345   12.261 -17.83494 18.03269 
1 1 1  -16   17   59 o   71.826   7.8858   39.424   7.1629   29.639   10.695   47.382   9.6455   61.947   13.147   81.705   8.7115 -19.75799 15.77156 
1 1 1  -16   17   60 o   32.342   8.4239   3.7865   5.9832  -9.1068   9.2518   13.056   7.8445   23.292   11.027   41.393   12.738 -18.10111 16.84790 
1 1 1  -16   17   61 o   68.321   9.5671   35.033   7.8676   38.571   14.899   33.665   9.2647   68.438   16.298   68.204   10.024 0.2347412 19.13412 
1 1 1  -16   17   62 o   41.065   11.050   11.594   8.3984   11.329   13.372   11.767   10.793   41.552   16.295   40.577   14.929 0.9743347 22.09921 
1 1 1  -16   17   63 o   62.132   10.930   30.297   9.2431   43.298   14.546   21.494   11.970   73.153   15.171   51.111   15.737 22.04201 21.85908 
1 1 1  -16   17   64 o   32.528   9.8993   2.3650   7.8541  -0.4145   12.502   4.1771   10.095   32.239   14.316   32.816   13.676 -0.5772057 19.79869 
1 1 1  -16   17   65 o   39.804   10.966   10.009   8.4045   14.392   13.308   7.1009   10.840   43.712   16.480   35.896   14.472 7.815727 21.93267 
1 1 1  -16   17   66 f   27.890   13.025  -7.5843   12.161  -7.5843   12.161   0.0000   0.0000   27.890   13.025  ?   ?       ?      ? 
1 1 1  -16   17   67 o   38.027   15.438   8.5613   12.429   8.5613   12.429   0.0000   0.0000   38.027   15.438  ?   ?       ?      ? 
1 1 1  -16   17   68 o   52.066   17.040   23.839   13.856   23.839   13.856   0.0000   0.0000   52.066   17.040  ?   ?       ?      ? 
1 1 1  -16   17   69 o   43.703   16.570   15.311   13.501   15.311   13.501   0.0000   0.0000   43.703   16.570  ?   ?       ?      ? 
1 1 1  -16   18    1 o  127.261   5.5270  111.823   9.3808  117.384   12.410  104.410   14.328  131.111   6.9849  123.412   8.5675 7.698349 11.05403 
1 1 1  -16   18    2 o   42.403   9.3958   10.512   6.1902   4.9576   7.8354   19.735   10.097   32.550   12.553   52.255   13.984 -19.70417 18.79169 
1 1 1  -16   18    3 o  104.835   6.0198   75.597   8.4397   77.162   11.141   73.489   12.929  106.216   7.7401  103.455   9.2219 2.761276 12.03965 
1 1 1  -16   18    4 o  176.604   6.5986  218.922   14.775  200.172   25.306  228.620   18.199  170.288   10.966  182.919   7.3420 -12.63127 13.19717 
1 1 1  -16   18    5 o   77.032   9.6277   39.034   9.2284   51.034   16.839   33.883   11.033   84.081   15.344   69.983   11.634 14.09771 19.25544 
1 1 1  -16   18    6 o   93.722   9.1557   65.851   9.9906   52.425   17.898   71.928   12.041   85.007   16.127  102.437   8.6742 -17.43062 18.31146 
1 1 1  -16   18    7 o  141.743   5.3065  137.310   10.166  137.251   13.883  137.378   14.928  141.754   7.2269  141.731   7.7723 0.2317810E-01 10.61307 
1 1 1  -16   18    8 o  239.941   5.1226  393.942   16.625  414.867   23.287  372.191   23.743  246.522   6.9708  233.359   7.5081 13.16249 10.24517 
1 1 1  -16   18    9 o  119.305   6.7476  100.268   10.317  106.256   12.902   89.651   17.180  124.667   7.6372  113.943   11.126 10.72404 13.49529 
1 1 1  -16   18   10 o   95.430   6.8013   64.216   7.8815   66.453   9.3721   58.813   14.565   98.659   7.0100   92.202   11.657 6.456749 13.60262 
1 1 1  -16   18   11 o   71.351   9.7217   36.683   9.0363   37.678   12.369   35.544   13.234   72.590   13.054   70.113   14.410 2.477554 19.44347 
1 1 1  -16   18   12 o  174.482   6.6792  209.936   15.725  228.747   22.034  190.409   22.449  182.612   8.9038  166.352   9.9584 16.25919 13.35839 
1 1 1  -16   18   13 o  101.944   6.8846   70.942   9.5109   70.942   9.5109   0.0000   0.0000  101.944   6.8846  ?   ?       ?      ? 
1 1 1  -16   18   14 o   34.469   12.365   7.0619   7.3416   7.0619   7.3416   0.0000   0.0000   34.469   12.365  ?   ?       ?      ? 
1 1 1  -16   18   15 o  126.809   5.9482  110.601   9.2069  111.150   10.893  109.228   17.227  127.674   6.2960  125.943   10.094 1.731071 11.89635 
1 1 1  -16   18   16 o  120.523   6.1556  101.730   9.0509  104.672   10.775   94.680   16.681  123.878   6.4186  117.167   10.506 6.710762 12.31119 
1 1 1  -16   18   17 o   99.371   6.8801   72.262   8.2842   79.054   10.021   57.599   14.724  107.599   6.8724   91.143   11.921 16.45604 13.76023 
1 1 1  -16   18   18 o   69.418   8.4233   35.329   7.1062   37.799   8.6897   30.343   12.347   74.231   8.6385   64.605   14.463 9.626221 16.84664 
1 1 1  -16   18   19 o   99.565   6.5863   68.653   8.1262   69.421   9.7333   66.887   14.764  100.789   7.1263   98.341   11.079 2.447769 13.17267 
1 1 1  -16   18   20 o   40.977   9.8589   11.064   6.4092   12.030   7.9052   9.2101   10.949   41.510   12.790   40.445   15.007 1.065163 19.71773 
1 1 1  -16   18   21 o   79.343   7.1598   41.051   7.3207   36.325   8.8657   51.180   12.979   72.705   8.9984   85.981   11.139 -13.27616 14.31953 
1 1 1  -16   18   22 o  108.430   6.2203   78.145   8.5669   73.607   10.307   88.284   15.407  103.730   7.3324  113.130   10.050 -9.399734 12.44053 
1 1 1  -16   18   23 o   86.735   7.4698   54.998   7.9430   60.171   9.6854   44.372   13.881   93.739   7.6245   79.730   12.848 14.00913 14.93970 
1 1 1  -16   18   24 o  117.314   6.1088   92.798   9.0386   89.874   10.865   99.370   16.288  114.647   6.9933  119.981   10.018 -5.333382 12.21753 
1 1 1  -16   18   25 o   84.575   7.0776   45.830   7.7797   37.294   9.4988   63.224   13.559   73.552   9.5300   95.598   10.466 -22.04658 14.15512 
1 1 1  -16   18   26 o   55.832   10.514   22.349   8.1913   16.932   11.067   28.911   12.181   48.829   15.148   62.835   14.586 -14.00639 21.02884 
1 1 1  -16   18   27 o   63.826   9.7738   30.153   8.6351   44.870   12.136   15.062   12.289   80.373   11.142   47.278   16.061 33.09524 19.54760 
1 1 1  -16   18   28 o  125.650   6.3220  113.000   9.8470  120.420   11.987   97.601   17.268  132.700   6.6659  118.601   10.744 14.09930 12.64396 
1 1 1  -16   18   29 o   31.620   9.4210   0.6486   6.7039  -1.5629   8.4392   4.4308   11.036   27.298   11.955   35.943   14.564 -8.645052 18.84196 
1 1 1  -16   18   30 o   36.272   14.397   5.4873   10.556   5.4873   10.556   0.0000   0.0000   36.272   14.397  ?   ?       ?      ? 
1 1 1  -16   18   31 o   50.887   15.068   18.821   11.125   18.821   11.125   0.0000   0.0000   50.887   15.068  ?   ?       ?      ? 
1 1 1  -16   18   32 o   65.635   9.3627   33.040   7.5805   36.763   9.2243   25.295   13.304   72.908   9.3364   58.361   16.232 14.54661 18.72544 
1 1 1  -16   18   33 o   52.915   12.414   20.437   8.7484   20.437   8.7484   0.0000   0.0000   52.915   12.414  ?   ?       ?      ? 
1 1 1  -16   18   34 o   29.291   12.198   1.7143   8.0227   1.7143   8.0227   0.0000   0.0000   29.291   12.198  ?   ?       ?      ? 
1 1 1  -16   18   35 o   76.684   7.4507   38.360   7.4599   31.417   9.1709   51.939   12.825   67.191   10.072   86.178   10.982 -18.98766 14.90149 
1 1 1  -16   18   36 f  145.340   6.3075  146.284   12.212  146.273   15.888  146.300   19.091  145.624   8.0509  145.056   9.7119 0.5686798 12.61499 
1 1 1  -16   18   37 o   81.809   8.1124   46.856   8.9708   43.969   12.170   50.291   13.275   79.093   11.355   84.525   11.590 -5.431427 16.22479 
1 1 1  -16   18   38 o   74.706   8.7819   39.825   8.6647   35.076   11.787   45.406   12.780   69.208   13.047   80.203   11.759 -10.99498 17.56376 
1 1 1  -16   18   39 o   96.142   7.2665   64.396   9.4411   58.561   12.876   71.180   13.884   91.419   10.394  100.864   10.158 -9.444855 14.53297 
1 1 1  -16   18   40 o  127.043   6.5762  112.334   11.242  111.228   15.009  113.748   16.968  126.533   8.7533  127.554   9.8165 -1.020508 13.15230 
1 1 1  -16   18   41 o  137.209   5.8270  126.387   10.255  118.277   12.448  143.516   18.090  131.013   7.0115  143.405   9.3090 -12.39191 11.65409 
1 1 1  -16   18   42 o   68.904   8.6478   35.641   7.4879   39.115   9.5054   29.960   12.156   74.798   9.3777   63.009   14.533 11.78847 17.29568 
1 1 1  -16   18   43 o  110.373   6.3356   83.428   9.0347   79.819   11.103   90.500   15.542  107.356   7.6321  113.390   10.115 -6.033684 12.67126 
1 1 1  -16   18   44 o   31.732   9.3516   0.0502   7.1638   8.1402   10.219  -7.7685   10.046   37.775   14.393   25.690   11.944 12.08540 18.70326 
1 1 1  -16   18   45 o   57.445   9.4330   25.795   7.2397   29.829   9.0999   18.838   11.950   64.915   10.344   49.974   15.777 14.94156 18.86603 
1 1 1  -16   18   46 o   44.129   9.8541   12.604   6.7133   7.0092   8.4999   21.880   10.945   34.828   13.161   53.430   14.670 -18.60213 19.70828 
1 1 1  -16   18   47 o   70.238   8.2450   35.945   7.3999   35.877   9.3762   36.058   12.050   71.235   9.7130   69.241   13.326 1.993858 16.49002 
1 1 1  -16   18   48 o  147.499   5.8250  150.183   10.881  146.490   13.159  158.165   19.347  145.477   6.6750  149.521   9.5481 -4.044205 11.64999 
1 1 1  -16   18   49 o   50.770   10.151   17.264   7.2848   10.512   8.9462   30.552   12.550   38.972   13.683   62.567   14.997 -23.59451 20.30149 
1 1 1  -16   18   50 o   41.553   14.614   12.266   10.206   12.266   10.206   0.0000   0.0000   41.553   14.614  ?   ?       ?      ? 
1 1 1  -16   18   51 o   55.584   9.5458   21.659   7.0739   14.476   8.7880   34.878   11.922   43.702   13.488   67.467   13.511 -23.76432 19.09168 
1 1 1  -16   18   52 o   98.346   6.6705   64.579   8.4332   56.077   10.172   83.264   15.081   89.148   8.4204  107.545   10.348 -18.39668 13.34094 
1 1 1  -16   18   53 o   34.667   9.3397   6.4065   6.6745   11.942   8.3298  -3.5225   11.156   40.131   13.216   29.204   13.201 10.92690 18.67940 
1 1 1  -16   18   54 o   58.129   9.4703   27.682   7.3293   32.243   9.1358   19.447   12.277   66.869   10.082   49.389   16.034 17.47910 18.94057 
1 1 1  -16   18   55 o   39.163   10.052   10.529   6.7217   9.6174   8.5048   12.046   10.971   37.163   13.311   41.162   15.065 -3.998707 20.10354 
1 1 1  -16   18   56 o   34.171   8.9611   5.2713   6.6502   14.044   8.4676  -8.8505   10.743   42.679   13.251   25.662   12.067 17.01662 17.92216 
1 1 1  -16   18   57 o   46.628   9.9624   17.591   6.8603   19.692   8.5856   13.879   11.410   50.257   12.623   42.998   15.416 7.258919 19.92488 
1 1 1  -16   18   58 o   52.004   10.882   22.519   8.9473   11.196   13.465   31.472   11.973   41.385   16.312   62.623   14.408 -21.23804 21.76416 
1 1 1  -16   18   59 f   36.544   10.313   3.5712   8.3381   16.639   12.776  -6.1256   11.005   45.859   16.326   27.229   12.604 18.62998 20.62559 
1 1 1  -16   18   60 o   37.305   10.667   6.1629   8.5230   14.111   13.051   0.2530   11.254   43.426   16.331   31.184   13.728 12.24136 21.33418 
1 1 1  -16   18   61 o   43.622   11.327   14.581   8.7442   16.131   13.072   13.326   11.764   45.144   16.457   42.099   15.568 3.044926 22.65386 
1 1 1  -16   18   62 o   52.941   11.552   24.149   9.2379   20.263   13.708   27.381   12.503   48.955   16.952   56.928   15.699 -7.972958 23.10499 
1 1 1  -16   18   63 o   57.964   17.103   29.623   14.356   29.623   14.356   0.0000   0.0000   57.964   17.103  ?   ?       ?      ? 
1 1 1  -16   18   64 o   25.420   12.162 -12.0285   11.878 -12.0285   11.878   0.0000   0.0000   25.420   12.162  ?   ?       ?      ? 
1 1 1  -16   18   65 o   36.072   15.283   6.0444   12.934   6.0444   12.934   0.0000   0.0000   36.072   15.283  ?   ?       ?      ? 
1 1 1  -16   19    1 o   91.049   6.3639   56.843   7.7940   54.036   10.313   60.582   11.902   88.523   8.5969   93.576   9.3856 -5.052948 12.72781 
1 1 1  -16   19    2 o   60.151   8.7502   25.184   6.7864   20.548   8.6476   32.616   10.949   53.125   12.261   67.177   12.487 -14.05237 17.50048 
1 1 1  -16   19    3 o   57.904   8.6039   26.341   6.6635   35.990   8.7297   12.869   10.314   72.209   8.9213   43.600   14.715 28.60859 17.20778 
1 1 1  -16   19    4 o  126.743   5.5503  108.714   9.4246   99.842   12.262  121.523   14.733  120.599   7.5028  132.887   8.1813 -12.28875 11.10070 
1 1 1  -16   19    5 o   64.858   9.5291   35.410   7.7695   44.188   9.4319   16.881   13.703   80.056   8.6940   49.660   16.960 30.39600 19.05817 
1 1 1  -16   19    6 o   46.272   11.030   14.590   8.1446   14.529   10.789   14.672   12.418   45.767   15.039   46.778   16.138 -1.011410 22.05979 
1 1 1  -16   19    7 o  116.677   7.0617  101.128   10.239  117.153   12.898   73.825   16.835  130.694   7.2825  102.660   12.101 28.03392 14.12350 
1 1 1  -16   19    8 o  132.411   7.3404  120.273   13.171  120.273   13.171   0.0000   0.0000  132.411   7.3404  ?   ?       ?      ? 
1 1 1  -16   19    9 o  116.317   7.6181   92.902   12.008   92.902   12.008   0.0000   0.0000  116.317   7.6181  ?   ?       ?      ? 
1 1 1  -16   19   10 o   51.148   10.091   14.832   7.3118   7.0928   8.7562   32.658   13.290   35.814   13.394   66.482   15.096 -30.66770 20.18157 
1 1 1  -16   19   11 o   64.864   9.4694   32.905   7.7844   38.919   9.6883   21.950   13.076   75.000   9.5323   54.728   16.365 20.27245 18.93882 
1 1 1  -16   19   12 o  138.864   6.1309  128.987   11.020  120.304   13.506  146.286   19.063  132.375   7.5288  145.353   9.6782 -12.97768 12.26173 
1 1 1  -16   19   13 o   62.810   9.7181   27.823   7.7543   25.111   9.5798   32.977   13.206   58.795   12.413   66.826   14.956 -8.030724 19.43616 
1 1 1  -16   19   14 o   68.986   9.2427   36.257   7.9927   41.790   10.106   27.014   13.061   77.690   9.5988   60.282   15.798 17.40810 18.48542 
1 1 1  -16   19   15 o   91.099   7.3448   57.862   8.6853   58.328   10.864   57.036   14.459   91.948   8.7187   90.250   11.822 1.698639 14.68964 
1 1 1  -16   19   16 o   70.019   8.8329   34.458   8.0071   32.538   10.192   37.554   12.942   68.302   11.012   71.737   13.814 -3.435448 17.66580 
1 1 1  -16   19   17 o  112.017   6.8891   90.565   9.8628  100.335   12.508   74.502   16.038  120.826   7.6389  103.208   11.467 17.61856 13.77822 
1 1 1  -16   19   18 o   42.409   10.069   10.305   7.1552   3.8404   9.3234   19.567   11.160   33.144   13.401   51.673   15.033 -18.52910 20.13880 
1 1 1  -16   19   19 o   39.697   10.288   8.9235   7.2134   6.2608   9.4627   12.617   11.145   35.644   13.782   43.750   15.278 -8.106487 20.57525 
1 1 1  -16   19   20 o   46.098   10.415   15.152   7.3549   16.644   9.6534   13.087   11.356   47.834   14.000   44.362   15.425 3.472015 20.83089 
1 1 1  -16   19   21 o   39.207   9.9970   8.8904   7.2602   14.410   9.5170   1.2066   11.229   44.953   14.064   33.462   14.212 11.49086 19.99409 
1 1 1  -16   19   22 o   59.276   10.558   27.612   9.6186   8.2586   15.445   39.872   12.293   43.289   17.338   75.264   12.053 -31.97432 21.11573 
1 1 1  -16   19   23 o   39.561   11.063   3.3793   8.5477   16.180   15.325  -2.4016   10.299   49.561   17.856   29.561   13.066 20.00057 22.12598 
1 1 1  -16   19   24 o   59.284   9.6188   25.385   7.5451   20.778   9.9681   31.565   11.546   53.014   13.756   65.554   13.448 -12.53918 19.23755 
1 1 1  -16   19   25 o   50.357   9.8271   17.449   6.8563   12.898   8.6525   25.128   11.240   42.602   13.423   58.113   14.357 -15.51089 19.65422 
1 1 1  -16   19   26 o   61.445   8.6263   25.212   6.8798   19.206   8.5330   36.370   11.630   51.117   12.437   71.773   11.957 -20.65549 17.25257 
1 1 1  -16   19   27 o   31.488   8.5631  -2.5695   6.0189 -12.2619   7.6344   13.350   9.7842   19.379   9.3909   43.596   14.322 -24.21728 17.12610 
1 1 1  -16   19   28 o   67.005   8.8310   33.684   7.2857   36.165   8.9455   28.795   12.557   72.127   9.1521   61.883   15.106 10.24389 17.66207 
1 1 1  -16   19   29 o  116.505   6.9577   93.392   10.985   93.392   10.985   0.0000   0.0000  116.505   6.9577  ?   ?       ?      ? 
1 1 1  -16   19   30 o   38.324   13.120   9.8834   8.2018   9.8834   8.2018   0.0000   0.0000   38.324   13.120  ?   ?       ?      ? 
1 1 1  -16   19   31 o   49.411   9.9595   17.741   6.7805   16.625   8.4475   19.761   11.368   47.407   12.834   51.415   15.233 -4.007053 19.91893 
1 1 1  -16   19   32 o   78.753   8.2197   47.045   7.7412   51.870   9.5299   37.683   13.273   86.496   8.1303   71.010   14.288 15.48625 16.43938 
1 1 1  -16   19   33 o   52.649   9.7663   20.606   6.8396   20.313   8.4869   21.150   11.552   52.388   12.185   52.911   15.266 -0.5230179 19.53259 
1 1 1  -16   19   34 o   78.896   7.5213   43.367   7.6199   42.099   9.3349   45.900   13.191   77.683   8.8675   80.110   12.151 -2.427071 15.04257 
1 1 1  -16   19   35 o   37.075   9.7572   7.1395   6.3818   4.1869   7.9139   12.630   10.791   31.254   12.446   42.896   15.030 -11.64129 19.51449 
1 1 1  -16   19   36 o   55.796   9.4327   21.853   6.8566   17.157   8.5062   30.564   11.586   47.899   12.842   63.693   13.820 -15.79451 18.86549 
1 1 1  -16   19   37 o   42.741   10.688   12.563   7.7137   13.355   10.246   11.526   11.720   43.297   14.665   42.184   15.551 1.112782 21.37541 
1 1 1  -16   19   38 o   54.337   14.384   22.580   10.758   22.580   10.758   0.0000   0.0000   54.337   14.384  ?   ?       ?      ? 
1 1 1  -16   19   39 o  107.005   7.4381   79.529   10.786   79.529   10.786   0.0000   0.0000  107.005   7.4381  ?   ?       ?      ? 
1 1 1  -16   19   40 f   61.666   9.2665   30.753   8.4150   50.346   11.459   7.8197   12.397   84.218   10.041   39.114   15.577 45.10399 18.53297 
1 1 1  -16   19   41 f   40.434   10.285   9.8087   7.4285   4.2410   9.8936   17.004   11.247   33.467   13.702   47.400   15.343 -13.93312 20.57071 
1 1 1  -16   19   42 o   41.793   10.122   12.037   6.6108   10.657   8.1047   14.782   11.427   38.686   13.044   44.899   15.481 -6.213764 20.24376 
1 1 1  -16   19   43 o   67.289   8.3328   29.357   7.0486   18.369   8.5555   52.572   12.436   49.080   12.749   85.498   10.734 -36.41782 16.66569 
1 1 1  -16   19   44 o   51.489   9.7720   19.984   6.7199   18.557   8.3135   22.673   11.414   49.346   12.437   53.633   15.077 -4.286995 19.54406 
1 1 1  -16   19   45 o   59.913   9.2149   28.562   7.1028   31.863   8.8023   22.400   12.025   66.783   9.7263   53.043   15.654 13.73959 18.42974 
1 1 1  -16   19   46 o   52.444   12.132   20.958   8.4507   20.958   8.4507   0.0000   0.0000   52.444   12.132  ?   ?       ?      ? 
1 1 1  -16   19   47 o   73.668   9.2554   38.714   9.2397   38.714   9.2397   0.0000   0.0000   73.668   9.2554  ?   ?       ?      ? 
1 1 1  -16   19   48 o   32.267   9.3687   4.2828   6.3628   4.7186   7.8866   3.4701   10.769   31.182   12.423   33.352   14.028 -2.169802 18.73748 
1 1 1  -16   19   49 o   55.936   9.4486   21.349   7.0089   13.154   8.5416   38.241   12.263   41.586   13.361   70.286   13.363 -28.70023 18.89712 
1 1 1  -16   19   50 o  101.863   6.7020   70.967   8.7330   64.206   10.528   85.884   15.638   95.221   8.1586  108.504   10.635 -13.28249 13.40407 
1 1 1  -16   19   51 o   38.931   10.223   8.7757   7.3485   3.2772   9.5058   16.942   11.584   31.577   13.225   46.285   15.594 -14.70784 20.44697 
1 1 1  -16   19   52 o   45.792   10.290   14.952   7.4799   7.8283   9.7084   25.358   11.733   35.872   13.935   55.713   15.144 -19.84009 20.57947 
1 1 1  -16   19   53 o   39.576   10.476   10.862   7.5006   10.117   9.8406   11.894   11.587   38.224   14.219   40.927   15.388 -2.702995 20.95164 
1 1 1  -16   19   54 o   61.174   10.249   29.610   8.2278   26.576   10.550   34.319   13.144   57.684   13.700   64.664   15.248 -6.979500 20.49888 
1 1 1  -16   19   55 o   36.673   10.742   6.1996   8.6888   9.3666   13.170   3.7589   11.562   39.449   15.935   33.897   14.409 5.552189 21.48420 
1 1 1  -16   19   56 o   43.324   11.319   14.382   8.9386   10.400   13.502   17.490   11.927   40.341   16.191   46.307   15.822 -5.966564 22.63814 
1 1 1  -16   19   57 o   45.823   11.395   17.206   8.9899   12.317   13.773   20.834   11.866   41.855   16.498   49.792   15.722 -7.936920 22.78955 
1 1 1  -16   19   58 o   43.917   11.390   15.368   8.8784   14.479   13.139   16.116   12.044   43.258   16.359   44.577   15.854 -1.318436 22.78096 
1 1 1  -16   19   59 o   33.962   10.187   3.8146   8.3678  -1.5871   12.240   8.5539   11.465   30.793   13.882   37.131   14.914 -6.337574 20.37480 
1 1 1  -16   19   60 f   38.967   15.957   9.5845   13.420   9.5845   13.420   0.0000   0.0000   38.967   15.957  ?   ?       ?      ? 
1 1 1  -16   20    1 o   81.834   8.0433   47.658   8.3541   66.719   12.491   32.230   11.237   97.674   9.4369   65.994   13.028 31.67992 16.08657 
1 1 1  -16   20    2 o  108.467   5.9274   80.417   8.6012   74.061   11.146   89.775   13.524  103.385   7.9555  113.549   8.7890 -10.16417 11.85485 
1 1 1  -16   20    3 o   46.796   11.046   15.876   7.3791   17.183   8.1682   10.078   17.208   48.161   12.431   45.431   18.263 2.730148 22.09235 
1 1 1  -16   20    4 o  109.440   8.3444   88.144   10.089   90.689   11.480   79.511   21.145  114.592   7.3930  104.288   14.962 10.30418 16.68879 
1 1 1  -16   20    5 o   84.163   6.7088   48.504   7.5380   43.995   9.7026   55.369   11.972   79.456   9.0112   88.869   9.9413 -9.413727 13.41751 
1 1 1  -16   20    6 o   40.032   8.6354   10.741   6.1642   19.436   7.9897  -2.0460   9.6890   51.387   11.731   28.677   12.675 22.71023 17.27088 
1 1 1  -16   20    7 o   86.752   6.6190   52.499   7.6840   52.214   10.096   52.892   11.846   86.674   8.5958   86.830   10.067 -0.1562042 13.23792 
1 1 1  -16   20    8 f  126.217   5.5326  111.535   9.3255  120.244   12.510  100.640   13.991  132.096   6.9883  120.339   8.5793 11.75703 11.06529 
1 1 1  -16   20    9 o   84.864   7.1407   45.348   7.1446   40.629   8.1124   61.663   15.083   76.624   7.8127   93.104   11.955 -16.47994 14.28143 
1 1 1  -16   20   10 o   47.705   9.7774   17.416   6.2522   18.811   7.1388   12.824   12.954   50.804   10.707   44.605   16.363 6.198742 19.55490 
1 1 1  -16   20   11 o   86.927   7.3530   53.126   7.3643   53.125   8.4495   53.130   15.021   87.773   7.1037   86.082   12.876 1.690796 14.70600 
1 1 1  -16   20   12 o  113.984   6.2353   89.617   8.4434   88.723   9.8037   92.185   16.615  113.621   6.3672  114.346   10.723 -0.7251892 12.47059 
1 1 1  -16   20   13 o   52.375   9.0124   22.390   6.3340   26.635   7.5057   11.887   11.806   61.823   8.9590   42.927   15.641 18.89629 18.02472 
1 1 1  -16   20   14 o  110.651   6.0348   80.588   8.1498   75.156   9.4942   95.799   15.887  104.482   6.7055  116.821   10.035 -12.33931 12.06958 
1 1 1  -16   20   15 o   94.840   6.6433   61.035   7.6397   58.816   8.9221   67.133   14.790   92.325   7.1312   97.356   11.211 -5.030197 13.28657 
1 1 1  -16   20   16 o   66.808   8.3169   30.338   6.7269   27.685   7.9202   37.207   12.744   62.939   9.2861   70.677   13.801 -7.737675 16.63390 
1 1 1  -16   20   17 o   45.110   10.733   13.935   7.7327   10.871   10.142   18.189   11.951   40.679   14.539   49.541   15.793 -8.862728 21.46654 
1 1 1  -16   20   18 o  100.920   7.3339   71.829   9.7545   72.004   12.455   71.552   15.688  101.544   9.0512  100.296   11.542 1.247299 14.66789 
1 1 1  -16   20   19 o   65.666   8.7470   30.058   7.0679   27.877   8.4348   35.200   12.951   62.988   9.8818   68.344   14.436 -5.356327 17.49399 
1 1 1  -16   20   20 o   57.979   9.3171   22.619   6.7693   17.884   8.0937   33.641   12.349   49.060   12.220   66.899   14.068 -17.83896 18.63422 
1 1 1  -16   20   21 o   65.326   8.6468   30.078   6.9455   28.410   8.3097   33.944   12.651   63.607   9.6405   67.046   14.357 -3.439705 17.29362 
1 1 1  -16   20   22 o  153.290   5.9142  162.469   10.938  161.053   12.817  166.267   20.987  153.012   6.1811  153.567   10.085 -0.5545654 11.82834 
1 1 1  -16   20   23 o  106.870   6.9511   85.352   8.8529   92.354   10.585   69.059   16.148  115.682   6.7525   98.058   12.152 17.62414 13.90216 
1 1 1  -16   20   24 o   87.906   6.8774   52.466   7.6762   49.072   9.2291   60.083   13.827   83.965   8.1111   91.847   11.109 -7.882263 13.75488 
1 1 1  -16   20   25 o   77.856   8.6025   42.359   9.0761   42.359   9.0761   0.0000   0.0000   77.856   8.6025  ?   ?       ?      ? 
1 1 1  -16   20   26 o   53.273   11.505   21.017   8.0630   21.017   8.0630   0.0000   0.0000   53.273   11.505  ?   ?       ?      ? 
1 1 1  -16   20   27 o   72.444   7.8056   34.479   7.1749   29.509   8.5292   46.509   13.270   64.647   9.7359   80.240   12.203 -15.59319 15.61127 
1 1 1  -16   20   28 o   80.046   7.2294   41.627   7.4103   34.435   8.8776   58.151   13.457   69.905   9.3714   90.186   11.011 -20.28094 14.45885 
1 1 1  -16   20   29 o  105.591   6.2872   71.098   8.3507   60.291   9.8405   98.907   15.785   93.015   7.8069  118.168   9.8574 -25.15242 12.57446 
1 1 1  -16   20   30 o   85.025   7.1877   50.900   7.7091   50.010   9.3150   52.834   13.734   84.582   8.1269   85.468   11.858 -0.8859329 14.37540 
1 1 1  -16   20   31 o   58.239   9.0518   23.525   6.7196   18.050   8.2261   34.505   11.649   48.882   12.399   67.596   13.191 -18.71423 18.10358 
1 1 1  -16   20   32 o   40.968   9.7432   9.4136   6.3838   4.1572   7.7684   20.345   11.203   30.758   12.304   51.179   15.111 -20.42075 19.48645 
1 1 1  -16   20   33 o   73.487   7.6136   35.831   7.2176   29.623   8.7223   49.315   12.855   64.463   9.9847   82.510   11.497 -18.04746 15.22717 
1 1 1  -16   20   34 o   55.811   9.3328   20.318   6.7689   12.844   8.1139   37.426   12.276   41.505   12.986   70.117   13.408 -28.61243 18.66564 
1 1 1  -16   20   35 o   30.847   8.8232   2.8951   6.1897   8.1163   7.7985  -5.9935   10.175   35.165   12.727   26.528   12.223 8.637091 17.64632 
1 1 1  -16   20   36 o   31.605   9.4908   2.1028   7.0663   1.9289   9.6629   2.3027   10.360   31.023   13.180   32.187   13.660 -1.163649 18.98161 
1 1 1  -16   20   37 o   37.793   10.131   8.4035   7.2428   4.7219   9.8659   12.707   10.667   33.561   13.705   42.025   14.923 -8.463913 20.26106 
1 1 1  -16   20   38 o   25.382   8.2128  -4.8995   6.0161  -6.9191   7.4577  -1.1359   10.180   21.379   10.053   29.386   12.990 -8.006933 16.42560 
1 1 1  -16   20   39 o   25.636   8.2108  -2.9691   5.9826  -0.7886   7.3247  -7.3391   10.369   25.295   11.106   25.976   12.096 -0.6807365 16.42151 
1 1 1  -16   20   40 o   47.191   9.8008   17.683   6.5830   18.984   8.0886   15.132   11.329   49.761   12.110   44.620   15.413 5.140495 19.60156 
1 1 1  -16   20   41 o   33.237   8.7571   5.4512   6.2119   12.406   7.6693  -7.8149   10.592   40.477   12.618   25.998   12.146 14.47896 17.51427 
1 1 1  -16   20   42 o   31.782   9.3742   2.3986   6.6969  -1.0421   8.6690   7.4910   10.546   27.142   11.993   36.421   14.411 -9.279812 18.74850 
1 1 1  -16   20   43 o   30.715   12.801   3.1474   8.8447   3.1474   8.8447   0.0000   0.0000   30.715   12.801  ?   ?       ?      ? 
1 1 1  -16   20   44 f   46.595   10.238   17.590   7.5680   22.798   9.8123   9.9423   11.890   53.707   13.498   39.484   15.398 14.22305 20.47645 
1 1 1  -16   20   45 o   53.738   12.042   23.568   10.108   32.472   14.968   16.102   13.706   61.729   17.234   45.747   16.824 15.98187 24.08460 
1 1 1  -16   20   46 o   27.235   12.929 -11.7094   12.895 -11.7094   12.895   0.0000   0.0000   27.235   12.929  ?   ?       ?      ? 
1 1 1  -16   20   47 o   32.407   9.8246   2.4567   7.7452   4.9642   9.9739  -1.3525   12.293   33.357   13.719   31.457   14.067 1.900257 19.64917 
1 1 1  -16   20   48 o   42.867   10.398   14.355   7.5878   18.477   9.9271   8.5615   11.768   47.843   14.248   37.891   15.148 9.951618 20.79634 
1 1 1  -16   20   49 o   51.706   8.7367   15.804   7.7945  -2.1988   10.056   42.901   12.337   28.064   12.623   75.348   12.082 -47.28452 17.47340 
1 1 1  -16   20   50 o   47.011   10.745   18.061   7.7602   17.602   10.320   18.658   11.772   46.495   14.660   47.526   15.714 -1.030807 21.49080 
1 1 1  -16   20   51 o   71.104   9.6603   40.078   8.9109   37.814   11.827   43.051   13.553   69.176   13.096   73.032   14.205 -3.856781 19.32062 
1 1 1  -16   20   52 o   48.196   11.003   14.874   9.0058   35.434   14.820   2.8375   11.340   63.663   16.898   32.729   14.099 30.93406 22.00673 
1 1 1  -16   20   53 o   46.681   10.428   12.945   8.7144   34.869   13.820  -1.5272   11.228   63.680   16.027   29.682   13.346 33.99854 20.85581 
1 1 1  -16   20   54 o   27.651   9.0461  -4.6849   7.7225  -6.0382   12.887  -3.9267   9.6463   29.150   13.544   26.152   11.995 2.997784 18.09219 
1 1 1  -16   20   55 o   44.121   15.355   16.261   11.254   0.0000   0.0000   16.261   11.254  ?   ?    44.121   15.355      ?      ? 
1 1 1  -16   20   56 o   56.191   15.732   27.799   12.455   0.0000   0.0000   27.799   12.455  ?   ?    56.191   15.732      ?      ? 
1 1 1  -16   21    1 o   47.571   9.8570   16.971   7.0121   11.043   9.6955   23.472   10.154   39.949   14.223   55.194   13.651 -15.24475 19.71391 
1 1 1  -16   21    2 o   51.887   9.8549   20.718   7.1719   16.378   10.015   25.287   10.275   46.353   14.415   57.421   13.442 -11.06786 19.70983 
1 1 1  -16   21    3 o   24.897   8.1027  -5.5425   6.3189  -3.8962   8.7036  -7.3776   9.1888   25.516   11.584   24.277   11.332 1.238689 16.20547 
1 1 1  -16   21    4 o   31.110   8.9247   1.9677   6.4164   8.7663   8.7105  -6.0981   9.4876   36.748   13.428   25.471   11.760 11.27666 17.84935 
1 1 1  -16   21    5 o   70.452   8.9106   38.201   8.0432   24.658   11.526   51.057   11.230   56.164   14.899   84.740   9.7790 -28.57692 17.82125 
1 1 1  -16   21    6 o   63.263   9.1392   30.252   7.6889   24.085   10.970   36.207   10.780   55.688   14.422   70.838   11.230 -15.14936 18.27839 
1 1 1  -16   21    7 o   61.375   9.1626   28.545   7.3926   33.458   10.635   23.951   10.284   66.943   12.171   55.806   13.700 11.13698 18.32528 
1 1 1  -16   21    8 o   53.292   10.542   19.305   8.3470   9.1911   10.577   36.000   13.589   38.661   14.664   67.923   15.149 -29.26239 21.08433 
1 1 1  -16   21    9 o   46.198   9.8736   17.226   6.9365   20.951   8.2326   8.1101   12.879   52.835   11.797   39.562   15.836 13.27239 19.74730 
1 1 1  -16   21   10 o   80.645   7.8398   39.838   7.8211   30.475   9.0727   66.923   15.432   65.323   10.249   95.967   11.866 -30.64411 15.67962 
1 1 1  -16   21   11 o   73.640   8.8734   40.117   7.6709   39.976   9.0272   40.483   14.551   75.306   8.8459   71.974   15.385 3.331276 17.74674 
1 1 1  -16   21   12 o   32.178   9.9953  -1.6244   8.4741  -6.0253   11.472   3.6613   12.572   28.485   13.071   35.872   15.126 -7.386990 19.99058 
1 1 1  -16   21   13 o   44.814   9.8068   15.615   7.4558   22.752   9.2154   2.0900   12.686   54.736   12.674   34.891   14.969 19.84459 19.61359 
1 1 1  -16   21   14 o   48.846   10.772   16.912   7.6493   12.905   9.4166   24.684   13.116   41.999   14.060   55.694   16.324 -13.69483 21.54410 
1 1 1  -16   21   15 o   56.464   9.2119   27.809   6.4380   31.852   7.3684   14.760   13.236   67.415   8.0655   45.513   16.564 21.90177 18.42372 
1 1 1  -16   21   16 o   46.910   8.5733   19.281   6.2286   25.368   7.1907   0.9916   12.465   59.949   8.8513   33.870   14.685 26.07970 17.14651 
1 1 1  -16   21   17 o   58.330   9.2239   29.151   6.5948   33.233   7.6488   17.327   13.019   68.800   8.2040   47.860   16.523 20.93994 18.44778 
1 1 1  -16   21   18 o   95.081   6.8884   62.687   7.8670   60.712   9.1553   68.263   15.380   93.339   7.2381   96.823   11.722 -3.483849 13.77682 
1 1 1  -16   21   19 o  107.826   6.6339   82.344   8.5037   82.099   9.9075   83.027   16.572  108.733   6.7238  106.919   11.438 1.814522 13.26777 
1 1 1  -16   21   20 o   24.018   10.741  -2.1821   7.1672  -2.1821   7.1672   0.0000   0.0000   24.018   10.741  ?   ?       ?      ? 
1 1 1  -16   21   21 o   70.110   8.8928   34.790   8.4490   34.790   8.4490   0.0000   0.0000   70.110   8.8928  ?   ?       ?      ? 
1 1 1  -16   21   22 o   97.809   6.9231   61.113   8.0819   53.946   9.2243   84.788   16.766   87.733   7.7587  107.885   11.468 -20.15182 13.84616 
1 1 1  -16   21   23 o   98.358   7.2619   63.754   9.2511   49.885   11.259   92.574   16.230   83.440   9.9576  113.276   10.573 -29.83583 14.52382 
1 1 1  -16   21   24 o   82.656   7.8864   46.907   8.4922   40.192   10.409   60.274   14.686   74.731   10.278   90.581   11.964 -15.84963 15.77279 
1 1 1  -16   21   25 f   58.837   9.6670   28.543   7.7068   34.430   9.6964   18.446   12.699   69.106   10.354   48.568   16.328 20.53786 19.33390 
1 1 1  -16   21   26 o   60.082   9.9238   27.626   7.6408   26.119   9.4332   30.501   13.029   58.576   12.277   61.589   15.595 -3.012890 19.84756 
1 1 1  -16   21   27 o   53.820   16.104   23.452   12.659   0.0000   0.0000   23.452   12.659  ?   ?    53.820   16.104      ?      ? 
1 1 1  -16   21   28 o   37.802   9.9324   6.3486   6.9017   0.3836   8.5246   17.698   11.759   28.099   12.164   47.505   15.705 -19.40512 19.86473 
1 1 1  -16   21   29 o   58.059   9.7434   25.895   7.4251   23.528   9.5251   29.562   11.854   55.088   12.974   61.030   14.540 -5.942238 19.48685 
1 1 1  -16   21   30 o   42.904   10.300   13.629   7.0637   11.886   9.2009   16.131   11.023   40.227   13.891   45.581   15.213 -5.354610 20.60032 
1 1 1  -16   21   31 o   64.441   9.4079   32.244   7.7848   32.297   9.9808   32.161   12.440   65.414   11.688   63.467   14.745 1.946503 18.81581 
1 1 1  -16   21   32 o   64.054   11.179   31.825   9.4781   42.697   15.544   25.391   11.958   72.185   16.279   55.924   15.325 16.26125 22.35723 
1 1 1  -16   21   33 o   38.660   10.859   8.8559   8.4015   6.8288   13.734   10.068   10.620   38.457   15.983   38.864   14.705 -0.4066467 21.71887 
1 1 1  -16   21   34 o   40.921   10.203   11.834   7.0971   8.2839   9.4664   16.391   10.725   36.222   13.841   45.620   14.995 -9.397957 20.40607 
1 1 1  -16   21   35 o   50.911   10.429   20.389   7.5385   17.334   9.8069   24.801   11.786   46.723   14.218   55.100   15.261 -8.377201 20.85784 
1 1 1  -16   21   36 f   51.284   10.426   20.588   7.5610   16.936   9.7689   26.044   11.941   46.177   14.216   56.392   15.256 -10.21511 20.85289 
1 1 1  -16   21   37 o   41.906   10.391   13.344   7.2835   14.185   9.5992   12.202   11.182   42.749   14.193   41.062   15.180 1.687321 20.78126 
1 1 1  -16   21   38 o   43.919   10.402   14.483   7.3247   10.541   9.6449   19.854   11.259   38.537   14.122   49.300   15.275 -10.76387 20.80341 
1 1 1  -16   21   39 o   56.003   13.513   24.991   10.138   24.991   10.138   0.0000   0.0000   56.003   13.513  ?   ?       ?      ? 
1 1 1  -16   21   40 o   42.616   14.439   14.178   9.9326   14.178   9.9326   0.0000   0.0000   42.616   14.439  ?   ?       ?      ? 
1 1 1  -16   21   41 o   55.603   10.500   25.474   7.9886   25.694   10.376   25.154   12.518   56.568   13.685   54.639   15.928 1.929379 20.99945 
1 1 1  -16   21   42 o   54.805   10.606   24.206   8.0976   19.421   10.617   30.861   12.520   48.629   14.793   60.980   15.204 -12.35064 21.21264 
1 1 1  -16   21   43 o   53.512   10.535   23.531   7.8344   22.136   10.222   25.517   12.196   52.043   14.131   54.982   15.630 -2.939350 21.07070 
1 1 1  -16   21   44 o   22.931   7.7041 -11.4756   6.7958  -3.4188   9.2157 -21.0787   10.061   26.002   11.849   19.859   9.8494 6.143078 15.40829 
1 1 1  -16   21   45 o   34.309   9.6345   4.0423   7.2140  -3.9730   9.6475   14.208   10.865   26.243   12.021   42.375   15.059 -16.13232 19.26906 
1 1 1  -16   21   46 o   32.733   10.154   1.4279   8.3644   4.7028   13.709  -0.5140   10.557   35.973   15.499   29.493   13.123 6.479591 20.30861 
1 1 1  -16   21   47 o   44.180   11.518   14.454   9.0616   23.375   14.589   8.8511   11.562   51.046   17.499   37.314   14.981 13.73222 23.03545 
1 1 1  -16   21   48 o   31.147   13.634   1.5696   10.962   0.0000   0.0000   1.5696   10.962  ?   ?    31.147   13.634      ?      ? 
1 1 1  -16   21   49 o   37.580   14.942   9.6252   11.390   0.0000   0.0000   9.6252   11.390  ?   ?    37.580   14.942      ?      ? 
1 1 1  -16   21   50 o   29.808   13.306  -0.1258   10.947   0.0000   0.0000  -0.1258   10.947  ?   ?    29.808   13.306      ?      ? 
1 1 1  -16   21   51 o   57.758   15.966   29.974   12.914   0.0000   0.0000   29.974   12.914  ?   ?    57.758   15.966      ?      ? 
1 1 1  -16   21   52 o   45.383   16.528   18.547   13.182   0.0000   0.0000   18.547   13.182  ?   ?    45.383   16.528      ?      ? 
1 1 1  -16   21   53 o   30.295   13.741  -0.8257   12.210   0.0000   0.0000  -0.8257   12.210  ?   ?    30.295   13.741      ?      ? 
1 1 1  -16   22    1 o   75.272   10.041   44.569   9.7342   45.752   12.492   42.742   15.531   78.506   11.743   72.038   16.291 6.467934 20.08175 
1 1 1  -16   22    2 o   60.354   11.210   28.893   9.1060   24.651   11.557   35.837   14.787   55.131   15.049   65.576   16.619 -10.44518 22.41978 
1 1 1  -16   22    3 o   40.601   9.8372   11.176   6.9449   18.783   10.143   4.4625   9.5286   48.550   14.390   32.652   13.417 15.89739 19.67434 
1 1 1  -16   22    4 o   58.280   9.6098   26.417   7.5543   35.201   11.198   19.080   10.234   67.653   12.680   48.907   14.443 18.74578 19.21951 
1 1 1  -16   22    5 o   94.234   7.0862   63.758   9.0019   69.718   13.607   59.120   12.004   97.978   10.248   90.490   9.7892 7.487938 14.17245 
1 1 1  -16   22    6 o   27.512   8.6853  -3.3101   6.7326   2.5193   9.9462  -8.2398   9.1466   31.522   13.381   23.502   11.076 8.020124 17.37066 
1 1 1  -16   22    7 o   85.586   10.333   53.246   11.984   0.0000   0.0000   53.246   11.984  ?   ?    85.586   10.333      ?      ? 
1 1 1  -16   22    8 o   39.121   10.959   7.7494   9.0899  -0.0722   12.902   15.457   12.808   33.138   14.638   45.104   16.313 -11.96575 21.91738 
1 1 1  -16   22    9 o   92.069   7.5576   58.151   8.7729   52.164   10.425   72.681   16.240   85.411   9.0069   98.727   12.139 -13.31596 15.11524 
1 1 1  -16   22   10 o   39.239   10.214   10.293   6.5915   9.6951   7.7268   11.889   12.633   36.746   12.727   41.733   15.979 -4.986881 20.42765 
1 1 1  -16   22   11 o   91.860   7.5001   56.919   8.5478   50.603   10.015   73.862   16.403   84.229   8.7742   99.492   12.166 -15.26223 15.00029 
1 1 1  -16   22   12 o   60.172   9.7114   28.370   7.3199   28.742   8.6963   27.465   13.558   62.925   10.198   57.420   16.530 5.505455 19.42288 
1 1 1  -16   22   13 o   32.533   8.4883   3.0196   6.6120   13.829   7.9665 -20.9123   11.854   42.354   12.798   22.712   11.154 19.64276 16.97668 
1 1 1  -16   22   14 f   70.376   8.9108   36.394   7.7091   34.201   9.2469   41.392   13.960   68.747   9.9256   72.004   14.802 -3.257195 17.82154 
1 1 1  -16   22   15 o   97.590   8.1185   67.478   10.736   67.478   10.736   0.0000   0.0000   97.590   8.1185  ?   ?       ?      ? 
1 1 1  -16   22   16 o   88.398   8.7145   55.749   10.439   55.749   10.439   0.0000   0.0000   88.398   8.7145  ?   ?       ?      ? 
1 1 1  -16   22   17 o   58.339   12.071   26.123   9.2284   26.123   9.2284   0.0000   0.0000   58.339   12.071  ?   ?       ?      ? 
1 1 1  -16   22   18 o   57.653   10.150   25.505   7.4310   23.542   8.8988   30.027   13.507   55.223   12.215   60.083   16.214 -4.859932 20.29990 
1 1 1  -16   22   19 o   59.553   10.065   27.992   7.6459   27.366   9.2974   29.301   13.439   59.812   11.890   59.295   16.244 0.5165520 20.13064 
1 1 1  -16   22   20 o   32.730   9.6757   4.0134   6.7670   4.1005   8.1360   3.8177   12.189   30.662   12.475   34.798   14.794 -4.135542 19.35139 
1 1 1  -16   22   21 o   41.557   9.8643   8.3915   7.0217  -0.0048   8.5876   25.329   12.197   27.687   12.094   55.427   15.587 -27.74030 19.72853 
1 1 1  -16   22   22 o   33.626   9.7387   5.2296   6.8958   5.5696   8.6473   4.6358   11.428   32.642   13.007   34.611   14.498 -1.968987 19.47747 
1 1 1  -16   22   23 o   28.690   8.8763   0.0783   6.5660   2.5808   8.3012  -4.1039   10.731   29.405   12.339   27.976   12.763 1.428741 17.75257 
1 1 1  -16   22   24 o   39.191   10.024   8.4268   6.9970   2.3006   8.7445   19.330   11.666   29.715   12.577   48.666   15.613 -18.95146 20.04828 
1 1 1  -16   22   25 o   55.691   10.236   23.529   7.6042   18.498   9.4525   32.758   12.802   48.103   13.789   63.280   15.133 -15.17768 20.47275 
1 1 1  -16   22   26 o   53.442   10.255   23.872   7.7157   27.276   9.9452   18.726   12.229   59.007   12.805   47.878   16.023 11.12897 20.51084 
1 1 1  -16   22   27 o   35.887   10.005   7.6087   7.0033   7.3361   8.8616   8.0622   11.430   34.532   13.341   37.241   14.915 -2.709435 20.01082 
1 1 1  -16   22   28 o   29.483   9.3908  -6.5998   7.9143   6.1278   12.896 -14.2902   10.024   36.840   15.414   22.127   10.731 14.71317 18.78168 
1 1 1  -16   22   29 o   42.022   10.965   10.093   8.8512   23.334   13.672   0.5392   11.613   52.306   16.915   31.737   13.959 20.56855 21.93075 
1 1 1  -16   22   30 o   32.252   9.6172   2.9367   7.0345   0.4612   8.9602   6.9139   11.357   28.401   12.381   36.104   14.720 -7.703430 19.23446 
1 1 1  -16   22   31 o   43.668   10.363   14.215   7.2608   9.7955   9.4034   20.741   11.426   37.383   13.900   49.953   15.374 -12.56965 20.72644 
1 1 1  -16   22   32 o   29.583   9.4548  -2.7727   7.8307   0.7243   12.740  -4.8960   9.9272   32.943   14.549   26.223   12.079 6.720751 18.90965 
1 1 1  -16   22   33 o   28.799   9.1309  -6.9803   7.6471   6.8673   12.069 -16.2692   9.8846   36.474   15.056   21.123   10.335 15.35151 18.26190 
1 1 1  -16   22   34 f   52.112   10.736   23.338   8.8713   11.132   13.380   32.913   11.851   40.608   16.179   63.616   14.115 -23.00847 21.47141 
1 1 1  -16   22   35 o   44.150   16.833   15.257   13.984   15.257   13.984   0.0000   0.0000   44.150   16.833  ?   ?       ?      ? 
1 1 1  -16   22   36 o   51.638   17.899   23.807   15.284   23.807   15.284   0.0000   0.0000   51.638   17.899  ?   ?       ?      ? 
1 1 1  -16   22   37 o   56.464   11.540   25.243   9.7536   43.561   15.754   13.858   12.420   70.694   16.709   42.235   15.922 28.45977 23.08002 
1 1 1  -16   22   38 o   34.197   10.479   3.5703   8.9184  -0.1996   14.533   5.8477   11.295   33.719   15.170   34.676   14.460 -0.9566727 20.95755 
1 1 1  -16   22   39 o   47.156   11.990   18.744   9.4851   22.199   15.768   16.784   11.874   49.580   18.074   44.732   15.759 4.848301 23.97956 
1 1 1  -16   22   40 o   30.906   9.9533  -1.9593   8.9156  -2.9325   14.714  -1.3948   11.207   32.324   14.822   29.488   13.289 2.835835 19.90663 
1 1 1  -16   22   41 o   53.721   12.269   26.142   9.9232   29.303   16.417   24.323   12.456   55.157   18.564   52.286   16.046 2.870655 24.53755 
1 1 1  -16   22   42 o   44.743   11.089   16.720   9.6495   0.9365   15.465   26.782   12.348   34.588   15.597   54.897   15.767 -20.30866 22.17778 
1 1 1  -16   22   43 o   57.725   12.018   31.576   10.251   25.926   15.558   35.911   13.627   51.886   18.054   63.564   15.869 -11.67800 24.03673 
1 1 1  -16   22   44 o   32.971   14.162   4.3832   11.378   0.0000   0.0000   4.3832   11.378  ?   ?    32.971   14.162      ?      ? 
1 1 1  -16   22   45 o   42.419   15.811   15.551   12.180   0.0000   0.0000   15.551   12.180  ?   ?    42.419   15.811      ?      ? 
1 1 1  -16   22   46 o   49.280   16.056   22.614   12.307   0.0000   0.0000   22.614   12.307  ?   ?    49.280   16.056      ?      ? 
1 1 1  -16   22   47 o   27.823   12.753  -2.4059   10.878   0.0000   0.0000  -2.4059   10.878  ?   ?    27.823   12.753      ?      ? 
1 1 1  -16   22   48 o   51.875   16.429   26.079   12.950   0.0000   0.0000   26.079   12.950  ?   ?    51.875   16.429      ?      ? 
1 1 1  -16   22   49 o   52.923   16.421   27.476   13.006   0.0000   0.0000   27.476   13.006  ?   ?    52.923   16.421      ?      ? 
1 1 1  -16   23    1 o   37.761   15.561   7.9232   12.865   0.0000   0.0000   7.9232   12.865  ?   ?    37.761   15.561      ?      ? 
1 1 1  -16   23    2 o   25.040   11.934 -10.9493   11.203   0.0000   0.0000 -10.9493   11.203  ?   ?    25.040   11.934      ?      ? 
1 1 1  -16   23    3 o   28.592   9.1682  -3.4484   7.6311  -6.6065   10.109   0.7345   11.635   25.510   11.901   31.673   13.950 -6.163424 18.33638 
1 1 1  -16   23    4 o   27.104   8.7931  -4.1767   7.2646  -3.4445   9.5283  -5.1933   11.227   26.440   12.049   27.768   12.810 -1.327347 17.58630 
1 1 1  -16   23    5 o   74.667   9.5327   43.457   9.3940   37.363   12.582   51.135   14.121   67.916   14.131   81.418   12.799 -13.50234 19.06542 
1 1 1  -16   23    6 o   59.752   10.821   30.727   9.0826   38.191   12.323   21.850   13.439   69.070   13.650   50.434   16.795 18.63554 21.64256 
1 1 1  -16   23    7 o   75.115   9.8326   44.478   9.7085   34.869   13.138   56.035   14.409   64.689   15.238   85.541   12.430 -20.85232 19.66521 
1 1 1  -16   23    8 o   27.515   8.9630  -4.9896   7.7227  -5.5507   10.661  -4.3703   11.202   26.845   12.419   28.185   12.927 -1.339972 17.92601 
1 1 1  -16   23    9 o   49.937   10.699   19.911   8.7997   32.524   12.529   7.6329   12.362   62.619   14.969   37.254   15.292 25.36510 21.39839 
1 1 1  -16   23   10 o   37.437   15.018   8.5249   11.608   8.5249   11.608   0.0000   0.0000   37.437   15.018  ?   ?       ?      ? 
1 1 1  -16   23   11 o   36.450   14.778   7.5617   11.372   7.5617   11.372   0.0000   0.0000   36.450   14.778  ?   ?       ?      ? 
1 1 1  -16   23   12 o   30.390   9.2977  -1.9305   7.8246   8.2491   10.541 -14.4205   11.677   36.434   14.410   24.346   11.753 12.08834 18.59546 
1 1 1  -16   23   13 o   47.637   9.3399   12.749   8.3695  -7.6708   11.248   38.083   12.528   26.562   12.444   68.713   13.931 -42.15031 18.67980 
1 1 1  -16   23   14 o   30.311   9.4501   0.2698   7.5689   0.3728   10.555   0.1609   10.859   30.202   13.295   30.421   13.434 -0.2192974 18.90017 
1 1 1  -16   23   15 o   36.313   10.338   7.6291   7.8580   9.7386   11.013   5.4413   11.216   38.065   14.826   34.562   14.410 3.503498 20.67531 
1 1 1  -16   23   16 o   35.068   10.198   5.3924   7.9340   10.830   11.700   0.7622   10.796   39.418   15.301   30.719   13.486 8.698872 20.39574 
1 1 1  -16   23   17 o   65.170   10.331   34.721   9.2415   46.391   13.408   24.160   12.755   77.430   12.778   52.910   16.237 24.51973 20.66217 
1 1 1  -16   23   18 o   43.689   10.944   15.174   8.3082   10.558   11.935   19.515   11.573   39.238   15.392   48.139   15.561 -8.900593 21.88777 
1 1 1  -16   23   19 o   55.307   10.973   26.204   8.8373   18.963   12.596   33.223   12.402   47.358   16.258   63.255   14.741 -15.89748 21.94592 
1 1 1  -16   23   20 o   59.995   10.572   30.631   8.8146   21.809   12.606   39.071   12.330   50.278   16.240   69.712   13.540 -19.43375 21.14419 
1 1 1  -16   23   21 f   27.975   8.8799  -4.9905   7.4201   4.9067   10.724 -14.0792   10.277   33.545   14.048   22.405   10.866 11.13996 17.75987 
1 1 1  -16   23   22 o   43.034   11.037   14.384   8.4778   19.686   12.271   9.5416   11.727   47.983   16.050   38.085   15.156 9.897976 22.07482 
1 1 1  -16   23   23 o   54.364   16.005   25.719   12.584   0.0000   0.0000   25.719   12.584  ?   ?    54.364   16.005      ?      ? 
1 1 1  -16   23   24 o   65.868   15.782   37.263   13.902   0.0000   0.0000   37.263   13.902  ?   ?    65.868   15.782      ?      ? 
1 1 1  -16   23   25 o   41.898   11.300   13.670   8.9392   11.859   13.449   15.104   11.965   40.691   16.218   43.105   15.740 -2.413681 22.60026 
1 1 1  -16   23   26 o   40.162   10.955   11.876   8.6055   7.7833   12.638   15.414   11.751   37.023   15.355   43.301   15.631 -6.278515 21.91076 
1 1 1  -16   23   27 o   65.449   11.163   37.662   9.9948   28.156   14.248   46.872   14.024   55.553   17.180   75.345   14.258 -19.79281 22.32520 
1 1 1  -16   23   28 o   35.624   10.446   5.9742   8.3272   12.017   12.676   1.3859   11.045   40.241   15.838   31.006   13.626 9.234659 20.89239 
1 1 1  -16   23   29 o   50.338   9.6566   20.047   8.9930  -3.7844   13.284   40.207   12.219   30.389   13.989   70.286   13.316 -39.89669 19.31327 
1 1 1  -16   23   30 o   35.257   10.539   6.1093   8.7055   3.9305   12.773   7.9994   11.897   34.138   14.833   36.377   14.974 -2.239048 21.07761 
1 1 1  -16   23   31 o   50.089   17.296   23.286   14.265   23.286   14.265   0.0000   0.0000   50.089   17.296  ?   ?       ?      ? 
1 1 1  -16   23   32 o   42.435   10.703   7.2053   8.8545   32.465   14.969  -6.3905   10.982   58.562   17.509   26.307   12.315 32.25567 21.40619 
1 1 1  -16   23   33 o   48.373   11.173   21.744   9.5410   7.8806   15.470   30.256   12.121   38.075   16.434   58.670   15.143 -20.59510 22.34687 
1 1 1  -16   23   34 o   37.916   10.955   10.061   8.9362   5.9474   14.967   12.340   11.140   36.496   15.954   39.337   15.018 -2.840202 21.91054 
1 1 1  -16   23   35 o   35.937   10.502   1.9128   8.6672   20.775   14.610  -8.3309   10.767   46.913   17.350   24.962   11.840 21.95128 21.00440 
1 1 1  -16   23   36 o   36.986   11.046   8.6247   9.3329   8.1044   15.293   8.9334   11.781   37.619   16.289   36.353   14.926 1.266655 22.09278 
1 1 1  -16   23   37 o   44.373   11.654   18.389   9.6032   12.922   15.600   21.724   12.186   40.545   16.958   48.201   15.990 -7.655548 23.30795 
1 1 1  -16   23   38 o   43.808   11.084   17.282   9.5013   3.5855   15.032   26.393   12.261   34.584   15.504   53.032   15.844 -18.44870 22.16775 
1 1 1  -16   23   39 o   41.780   11.648   14.677   9.5486   21.823   15.353   10.170   12.194   46.549   17.664   37.012   15.189 9.536579 23.29697 
1 1 1  -16   23   40 o   45.587   16.087   20.012   12.377   0.0000   0.0000   20.012   12.377  ?   ?    45.587   16.087      ?      ? 
1 1 1  -16   23   43 o   33.339   14.311   6.7078   11.606   0.0000   0.0000   6.7078   11.606  ?   ?    33.339   14.311      ?      ? 
1 1 1  -16   23   44 o   41.181   15.846   16.675   12.463   0.0000   0.0000   16.675   12.463  ?   ?    41.181   15.846      ?      ? 
1 1 1  -16   23   45 o   23.692   11.397  -9.2157   10.755   0.0000   0.0000  -9.2157   10.755  ?   ?    23.692   11.397      ?      ? 
1 1 1  -16   24    1 o   61.179   11.670   34.730   9.9037   33.410   13.964   36.066   14.048   59.803   16.628   62.554   16.379 -2.751915 23.34061 
1 1 1  -16   24    2 o   78.207   10.559   52.880   10.783   52.705   15.224   53.057   15.274   78.073   14.934   78.340   14.933 -0.2667542 21.11896 
1 1 1  -16   24    3 o   35.632   10.253   3.9952   8.8016  -9.2749   12.270   18.062   12.633   26.439   12.569   44.826   16.203 -18.38659 20.50615 
1 1 1  -16   24    4 o   58.375   16.542   31.671   13.684   31.671   13.684   0.0000   0.0000   58.375   16.542  ?   ?       ?      ? 
1 1 1  -16   24    5 o   45.029   16.447   18.269   13.066   18.269   13.066   0.0000   0.0000   45.029   16.447  ?   ?       ?      ? 
1 1 1  -16   24    6 o   62.965   11.463   36.109   9.8448   37.450   13.982   34.790   13.864   64.328   16.082   61.603   16.340 2.724819 22.92658 
1 1 1  -16   24    7 o   34.184   10.224   5.8952   8.1574   7.4421   11.905   4.5260   11.200   35.519   14.831   32.850   14.078 2.668659 20.44900 
1 1 1  -16   24    8 o   39.642   10.817   11.988   8.5819   5.6806   12.455   17.690   11.841   34.633   14.845   44.650   15.737 -10.01690 21.63354 
1 1 1  -16   24    9 o   34.543   10.327   5.5511   8.4093   10.496   12.377   1.3106   11.461   38.154   15.435   30.932   13.723 7.222290 20.65351 
1 1 1  -16   24   10 o   46.979   11.358   20.121   8.7479   18.036   12.862   21.916   11.933   44.848   16.328   49.111   15.794 -4.262604 22.71679 
1 1 1  -16   24   11 o   38.655   10.824   11.139   8.4488   14.027   12.299   8.5585   11.627   41.108   15.760   36.202   14.841 4.905537 21.64790 
1 1 1  -16   24   12 o   41.098   11.174   13.945   8.7461   15.353   12.847   12.729   11.941   42.347   16.137   39.850   15.461 2.497536 22.34838 
1 1 1  -16   24   13 f   37.991   10.160   5.7812   8.3766   23.475   12.684  -7.9049   11.155   50.312   16.294   25.671   12.139 24.64098 20.31914 
1 1 1  -16   24   14 o   94.368   9.0326   70.940   11.403   87.255   17.028   57.672   15.355  105.020   11.965   83.716   13.535 21.30428 18.06527 
1 1 1  -16   24   15 o   55.649   11.455   29.633   9.5983   21.198   14.705   35.894   12.669   47.254   17.420   64.043   14.882 -16.78863 22.91083 
1 1 1  -16   24   16 o   81.824   9.6185   54.683   10.370   63.641   15.970   48.153   13.636   87.993   13.393   75.656   13.809 12.33700 19.23703 
1 1 1  -16   24   17 f   42.529   11.228   14.572   8.6965   22.618   13.757   9.2149   11.224   48.708   16.975   36.350   14.701 12.35851 22.45638 
1 1 1  -16   24   18 o   69.345   14.800   41.956   13.484   0.0000   0.0000   41.956   13.484  ?   ?    69.345   14.800      ?      ? 
1 1 1  -16   24   19 o   53.061   15.877   26.088   12.304   0.0000   0.0000   26.088   12.304  ?   ?    53.061   15.877      ?      ? 
1 1 1  -16   24   20 o   45.564   11.485   19.488   9.2097   14.316   14.427   23.045   11.965   41.299   16.680   49.830   15.793 -8.531082 22.97059 
1 1 1  -16   24   21 o   51.843   11.105   22.732   9.1651   40.266   14.397   10.785   11.884   65.965   16.219   37.721   15.173 28.24364 22.20964 
1 1 1  -16   24   22 o   45.717   10.322   18.048   8.9320   0.1309   13.592   31.667   11.850   31.787   14.448   59.647   14.745 -27.85973 20.64378 
1 1 1  -16   24   23 o   59.562   11.698   33.389   9.6442   36.948   15.208   30.994   12.473   61.133   17.480   57.992   15.552 3.140553 23.39646 
1 1 1  -16   24   24 o   34.399   10.357   4.3916   8.4764   14.597   13.633  -2.0401   10.823   40.951   16.327   27.847   12.748 13.10394 20.71393 
1 1 1  -16   24   25 o   40.518   11.302   14.160   8.9866   15.265   14.509   13.472   11.447   41.439   16.730   39.598   15.198 1.840931 22.60310 
1 1 1  -16   24   26 o   43.101   16.882   17.628   14.340   17.628   14.340   0.0000   0.0000   43.101   16.882  ?   ?       ?      ? 
1 1 1  -16   24   27 o   37.264   15.838   9.9366   13.963   9.9366   13.963   0.0000   0.0000   37.264   15.838  ?   ?       ?      ? 
1 1 1  -16   24   28 o   26.246   8.8146  -8.6617   8.1656  -0.6858   13.116 -13.7091   10.434   30.477   13.982   22.014   10.738 8.462662 17.62915 
1 1 1  -16   24   29 o   28.185   9.0617  -3.2193   8.2256 -17.2701   13.178   5.7491   10.528   24.120   11.829   32.251   13.731 -8.130924 18.12335 
1 1 1  -16   24   30 o   26.169   8.8061  -7.2099   8.3319  -7.6703   13.445  -6.9229   10.616   27.529   13.107   24.809   11.764 2.720631 17.61228 
1 1 1  -16   24   31 o   29.338   9.5554  -1.8689   8.4415   4.4077   13.849  -5.5792   10.648   33.290   14.906   25.386   11.960 7.904333 19.11083 
1 1 1  -16   24   32 o   28.911   9.4242 -11.3444   8.2254   14.200   14.577 -23.2769   9.9630   39.386   16.426   18.436   9.2441 20.95002 18.84839 
1 1 1  -16   24   33 o   31.696   9.6922   3.1052   8.6240 -13.5620   14.540   12.150   10.711   26.254   12.777   37.138   14.577 -10.88369 19.38441 
1 1 1  -16   24   34 o   24.718   8.3059  -9.9136   8.1864 -28.8301   13.715   0.5551   10.203   21.547   10.810   27.888   12.613 -6.341434 16.61173 
1 1 1  -16   25    7 o   29.773   13.389   2.2561   11.308   2.2561   11.308   0.0000   0.0000   29.773   13.389  ?   ?       ?      ? 
1 1 1  -16   25    8 o   39.103   10.570   11.375   8.3344   26.187   13.210   1.5801   10.742   49.294   16.652   28.913   13.022 20.38108 21.13931 
1 1 1  -16   25    9 o   32.156   9.9183   5.8240   8.1409   4.0356   12.537   7.1278   10.705   31.674   14.182   32.637   13.869 -0.9627533 19.83653 
1 1 1  -16   25   10 o   33.923   9.9105   3.1508   8.1096   20.786   12.827  -8.5904   10.467   44.290   16.278   23.556   11.309 20.73355 19.82100 
1 1 1  -16   25   11 o   41.341   11.159   17.445   8.8604   13.886   13.376   20.227   11.827   38.378   15.847   44.304   15.715 -5.926708 22.31825 
1 1 1  -15    0    1 o  626.450   10.662  2663.10   90.453   0.0000   0.0000  2663.10   90.453  626.450   10.662  626.450   10.662 -0.000000 0.000000 
1 1 1  -15    0    2 o  570.075   9.8978  2205.27   76.411   0.0000   0.0000  2205.27   76.411  570.075   9.8978  570.075   9.8978 -0.000000 0.000000 
1 1 1  -15    0    3 o  653.306   11.031  2899.79   97.509  2837.95  136.113  2964.99  139.755  646.146   15.565  660.466   15.634 -0.000000 0.000000 
1 1 1  -15    0    4 f  419.148   11.230  1193.87   63.682  1193.87   63.682   0.0000   0.0000  419.148   11.230  419.148   11.230 -0.000000 0.000000 
1 1 1  -15    0    5 o  260.194   8.8562  460.535   31.145  460.535   31.145   0.0000   0.0000  260.194   8.8562  260.194   8.8562 -0.000000 0.000000 
1 1 1  -15    0    6 o  433.925   11.515  1279.55   67.603  1279.55   67.603   0.0000   0.0000  433.925   11.515  433.925   11.515 -0.000000 0.000000 
1 1 1  -15    0    7 o  295.089   9.3351  592.099   37.245  592.099   37.245   0.0000   0.0000  295.089   9.3351  295.089   9.3351 -0.000000 0.000000 
1 1 1  -15    0    8 o  292.075   6.5784  580.035   25.976  586.009   36.950  574.197   36.525  293.565   9.3093  290.584   9.2971 -0.000000 0.000000 
1 1 1  -15    0    9 o  434.323   8.1614  1281.84   47.957  1268.30   67.558  1295.59   68.087  432.004   11.559  436.642   11.525 -0.000000 0.000000 
1 1 1  -15    0   10 o  261.233   6.3276  464.258   22.337  453.872   31.519  474.737   31.660  258.278   9.0303  264.189   8.8660 -0.000000 0.000000 
1 1 1  -15    0   11 o  413.514   11.217  1162.05   62.751   0.0000   0.0000  1162.05   62.751  413.514   11.217  413.514   11.217 -0.000000 0.000000 
1 1 1  -15    0   13 o  591.664   14.479  2379.15  115.936  2379.15  115.936   0.0000   0.0000  591.664   14.479  591.664   14.479 -0.000000 0.000000 
1 1 1  -15    0   14 o  649.533   11.027  2866.94   96.924  2909.08  138.386  2826.36  135.793  654.221   15.630  644.845   15.560 -0.000000 0.000000 
1 1 1  -15    0   15 f  424.098   8.0865  1221.79   46.389  1244.46   66.397  1200.17   64.838  427.945   11.468  420.250   11.404 -0.000000 0.000000 
1 1 1  -15    0   16 o  539.430   9.5512  1975.76   69.692  2033.23  100.307  1922.12   96.900  547.017   13.550  531.843   13.464 -0.000000 0.000000 
1 1 1  -15    0   17 o  747.839   12.413  3797.32  125.561  3931.13  181.544  3674.62  173.847  760.463   17.638  735.215   17.471 -0.000000 0.000000 
1 1 1  -15    0   18 o  1101.54   17.561  8256.14  261.774  8424.58  375.366  8096.65  365.249  1112.47   24.927  1090.61   24.742 -0.000000 0.000000 
1 1 1  -15    0   19 o  903.280   14.644  5547.60  179.022  5467.92  251.017  5630.07  255.389  896.675   20.683  909.884   20.737 -0.000000 0.000000 
1 1 1  -15    0   20 f  918.536   14.870  5733.31  184.802  5889.50  266.084  5587.76  256.858  930.616   21.124  906.456   20.936 -0.000000 0.000000 
1 1 1  -15    0   21 o  1236.23   19.569 10403.41  327.403 10585.25  468.552 10229.92  457.674  1246.78   27.763  1225.68   27.586 -0.000000 0.000000 
1 1 1  -15    0   22 o  1099.52   24.789  8226.37  368.934   0.0000   0.0000  8226.37  368.934  1099.52   24.789  1099.52   24.789 -0.000000 0.000000 
1 1 1  -15    0   23 o  539.034   13.532  1974.02   98.704   0.0000   0.0000  1974.02   98.704  539.034   13.532  539.034   13.532 -0.000000 0.000000 
1 1 1  -15    0   24 o  1568.67   24.596 16782.55  522.251 16937.17  743.318 16631.81  733.922  1575.80   34.847  1561.55   34.721 -0.000000 0.000000 
1 1 1  -15    0   25 o  1645.57   25.779 18468.84  574.060 18866.61  823.889 18093.51  800.310  1662.76   36.604  1628.38   36.308 -0.000000 0.000000 
1 1 1  -15    0   26 o  670.944   11.371  3057.39  103.231  3120.34  148.017  2997.76  144.045  677.671   16.139  664.217   16.024 -0.000000 0.000000 
1 1 1  -15    0   27 o  619.946   10.683  2609.50   89.596  2534.63  124.852  2688.99  128.650  610.768   15.106  629.124   15.110 -0.000000 0.000000 
1 1 1  -15    0   28 o  950.434   15.356  6141.69  197.536  6197.11  281.245  6087.73  277.508  954.664   21.765  946.204   21.668 -0.000000 0.000000 
1 1 1  -15    0   29 o  233.172   6.4306  370.153   20.246  372.469   28.917  367.925   28.356  233.883   9.1557  232.461   9.0324 -0.000000 0.000000 
1 1 1  -15    0   30 o  675.729   16.215  3102.66  148.288  3102.66  148.288   0.0000   0.0000  675.729   16.215  675.729   16.215 -0.000000 0.000000 
1 1 1  -15    0   31 o  709.203   11.928  3417.24  114.480  3366.18  160.469  3470.17  163.368  703.803   16.847  714.604   16.892 -0.000000 0.000000 
1 1 1  -15    0   32 o  675.587   11.457  3101.53  104.757  3099.91  148.314  3103.13  147.983  675.409   16.226  675.766   16.181 -0.000000 0.000000 
1 1 1  -15    0   33 o  751.309   12.517  3835.82  127.262  3777.21  178.488  3896.43  181.503  745.464   17.691  757.154   17.711 -0.000000 0.000000 
1 1 1  -15    0   34 f  337.785   7.2889  775.681   33.293  771.729   47.219  779.587   46.948  336.921   10.364  338.649   10.252 -0.000000 0.000000 
1 1 1  -15    0   35 o  300.273   6.9405  613.108   28.167  616.367   40.304  609.997   39.381  301.045   9.9037  299.500   9.7261 -0.000000 0.000000 
1 1 1  -15    0   36 o  119.443   6.9109   98.303   10.986  103.242   16.251   94.146   14.909  122.202   9.9660  116.683   9.5770 -0.000000 0.000000 
1 1 1  -15    0   37 o  431.556   8.3288  1265.73   48.622  1265.10   69.222  1266.35   68.311  431.440   11.860  431.672   11.697 -0.000000 0.000000 
1 1 1  -15    0   38 o  587.412   10.301  2344.93   81.879  2301.89  115.076  2389.07  116.526  581.937   14.613  592.887   14.523 -0.000000 0.000000 
1 1 1  -15    0   39 o  213.093   6.5268  309.912   18.745  298.583   26.802  320.760   26.227  209.217   9.4979  216.969   8.9548 -0.000000 0.000000 
1 1 1  -15    0   40 o  345.679   7.4514  812.693   34.824  800.783   49.530  824.336   48.972  343.151   10.675  348.207   10.399 -0.000000 0.000000 
1 1 1  -15    0   41 o  731.597   12.276  3640.12  121.546  3596.35  171.114  3684.69  172.681  727.147   17.388  736.047   17.334 -0.000000 0.000000 
1 1 1  -15    0   42 o  829.700   19.291  4684.94  216.632   0.0000   0.0000  4684.94  216.632  829.700   19.291  829.700   19.291 -0.000000 0.000000 
1 1 1  -15    0   43 o  315.864   7.2395  678.997   30.893  650.327   43.677  707.700   43.701  309.142   10.453  322.587   10.019 -0.000000 0.000000 
1 1 1  -15    0   44 o  163.011   6.6553  182.283   14.555  176.581   21.099  187.461   20.104  160.479   9.7854  165.542   9.0232 -0.000000 0.000000 
1 1 1  -15    0   45 o  312.655   7.1904  664.646   30.372  676.673   43.900  653.603   42.064  315.358   10.297  309.952   10.039 -0.000000 0.000000 
1 1 1  -15    0   46 f   61.961   12.356   31.152   8.9274   35.112   13.662   28.201   11.793   65.819   17.724   58.103   17.219 -0.000000 0.000000 
1 1 1  -15    0   47 o  267.858   6.8631  488.872   24.820  478.048   35.523  499.196   34.693  264.918   9.9266  270.799   9.4801 -0.000000 0.000000 
1 1 1  -15    0   48 o  427.244   11.959  1241.87   69.117  1241.87   69.117   0.0000   0.0000  427.244   11.959  427.244   11.959 -0.000000 0.000000 
1 1 1  -15    0   49 o  617.529   15.302  2596.63  127.872  2596.63  127.872   0.0000   0.0000  617.529   15.302  617.529   15.302 -0.000000 0.000000 
1 1 1  -15    0   50 o  579.331   10.271  2285.34   80.514  2271.92  114.070  2298.66  113.660  577.620   14.594  581.043   14.455 -0.000000 0.000000 
1 1 1  -15    0   51 o  646.877   11.182  2851.06   97.875  2872.58  139.645  2830.27  137.219  649.262   15.893  644.492   15.733 -0.000000 0.000000 
1 1 1  -15    0   52 o  146.726   6.9146  148.358   13.548  144.161   19.928  151.964   18.474  144.652   10.286  148.800   9.2437 -0.000000 0.000000 
1 1 1  -15    0   53 o  372.123   7.8324  943.093   39.405  928.992   56.165  956.763   55.299  369.348   11.245  374.898   10.906 -0.000000 0.000000 
1 1 1  -15    0   54 o  509.908   9.4171  1771.32   64.963  1771.85   92.627  1770.81   91.133  509.961   13.424  509.854   13.210 -0.000000 0.000000 
1 1 1  -15    0   55 o  527.172   9.6358  1892.62   68.697  1933.70   99.113  1854.63   95.304  532.656   13.752  521.687   13.501 -0.000000 0.000000 
1 1 1  -15    0   56 o  323.759   7.3826  714.329   32.298  706.356   46.241  721.924   45.133  321.957   10.625  325.560   10.253 -0.000000 0.000000 
1 1 1  -15    0   57 o  236.576   6.8136  381.734   21.730  385.231   31.650  378.616   29.888  237.564   9.8700  235.587   9.3958 -0.000000 0.000000 
1 1 1  -15    0   58 o   36.747   12.050   12.864   8.1168   1.0598   12.920   20.560   10.432   25.976   16.567   47.518   17.504 -0.000000 0.000000 
1 1 1  -15    0   59 o  214.458   9.1590  314.005   26.508   0.0000   0.0000  314.005   26.508  214.458   9.1590  214.458   9.1590 -0.000000 0.000000 
1 1 1  -15    0   60 o  200.685   6.7186  275.475   18.130  274.180   26.582  276.602   24.791  200.172   9.8540  201.198   9.1356 -0.000000 0.000000 
1 1 1  -15    0   61 o  167.272   6.7987  191.891   15.248  192.805   22.473  191.110   20.756  167.565   9.9778  166.979   9.2376 -0.000000 0.000000 
1 1 1  -15    0   62 o  275.106   7.0716  516.619   26.261  510.569   37.812  522.255   36.499  273.498   10.235  276.714   9.7610 -0.000000 0.000000 
1 1 1  -15    0   63 o  151.423   7.0961  158.134   14.341  155.289   21.250  160.514   19.433  150.019   10.573  152.826   9.4668 -0.000000 0.000000 
1 1 1  -15    0   64 o  204.583   10.075  286.611   27.777  286.611   27.777   0.0000   0.0000  204.583   10.075  204.583   10.075 -0.000000 0.000000 
1 1 1  -15    0   65 o   93.173   14.527   63.329   17.014   63.329   17.014   0.0000   0.0000   93.173   14.527   93.173   14.527 -0.000000 0.000000 
1 1 1  -15    0   66 o  205.496   6.8932  287.272   19.031  310.949   28.395  267.961   25.643  213.159   9.8783  197.833   9.6168 -0.000000 0.000000 
1 1 1  -15    0   67 o  120.653   7.7256  101.585   12.316  100.482   18.375  102.484   16.595  119.839   11.562  121.467   10.250 -0.000000 0.000000 
1 1 1  -15    0   68 o  137.160   7.8140  133.128   13.974  112.025   20.770  150.581   18.889  126.419   12.398  147.900   9.5147 -0.000000 0.000000 
1 1 1  -15    0   69 o  119.617   8.0785   99.667   12.765  104.398   19.128   95.868   17.139  122.102   11.814  117.133   11.022 -0.000000 0.000000 
1 1 1  -15    0   70 o  101.867   8.8085   72.652   11.542   86.059   17.643   62.623   15.260  110.397   12.171   93.336   12.737 -0.000000 0.000000 
1 1 1  -15    0   71 o  302.804   7.4358  627.403   30.393  604.490   43.467  649.322   42.513  297.292   10.822  308.316   10.201 -0.000000 0.000000 
1 1 1  -15    0   72 o  156.601   7.2888  169.380   15.250  166.830   22.501  171.546   20.740  155.357   10.808  157.845   9.7821 -0.000000 0.000000 
1 1 1  -15    0   73 o   79.216   11.223   47.412   10.620   50.556   16.125   45.004   14.113   81.388   16.515   77.043   15.201 -0.000000 0.000000 
1 1 1  -15    0   74 o   50.940   20.311   24.703   13.568   0.0000   0.0000   24.703   13.568   50.940   20.311   50.940   20.311 -0.000000 0.000000 
1 1 1  -15    0   75 o  164.110   7.4589  184.608   16.330  198.187   24.798  174.211   21.699  169.353   10.909  158.866   10.175 -0.000000 0.000000 
1 1 1  -15    0   76 o   92.964   9.7560   62.606   11.441   66.818   17.216   59.274   15.311   95.723   14.188   90.205   13.394 -0.000000 0.000000 
1 1 1  -15    0   77 o  165.254   7.3231  188.571   16.204  190.819   23.904  186.660   22.041  166.058   10.725  164.451   9.9744 -0.000000 0.000000 
1 1 1  -15    0   78 o  193.428   7.2019  257.537   18.725  263.215   27.423  252.576   25.631  195.361   10.426  191.495   9.9382 -0.000000 0.000000 
1 1 1  -15    0   79 o   89.330   15.476   59.740   17.048   59.740   17.048   0.0000   0.0000   89.330   15.476   89.330   15.476 -0.000000 0.000000 
1 1 1  -15    0   80 o  166.872   7.4621  194.253   16.598  172.029   23.737  215.516   23.218  157.093   11.284  176.651   9.7674 -0.000000 0.000000 
1 1 1  -15    0   81 o  149.649   7.4682  154.575   14.899  171.422   22.437  141.287   19.927  156.941   10.663  142.357   10.459 -0.000000 0.000000 
1 1 1  -15    0   82 o   49.641   14.196   23.996   9.2973   24.975   13.880   23.200   12.522   50.359   20.623   48.923   19.513 -0.000000 0.000000 
1 1 1  -15    0   83 o  129.265   7.7797  117.001   13.357  125.636   19.902  109.925   18.017  133.593   11.173  124.938   10.829 -0.000000 0.000000 
1 1 1  -15    0   84 o  148.092   7.3352  152.377   14.504  168.772   21.528  138.750   19.627  155.462   10.323  140.723   10.423 -0.000000 0.000000 
1 1 1  -15    0   85 o   42.132   12.548   15.234   8.6363   30.311   13.345   4.3685   11.328   57.915   19.134   26.348   16.240 -0.000000 0.000000 
1 1 1  -15    0   86 o  138.894   7.4128  135.934   13.723  134.312   20.155  137.335   18.736  137.874   10.946  139.914   9.9990 -0.000000 0.000000 
1 1 1  -15    0   87 o   24.625   15.416   3.1343   10.614   0.0000   0.0000   3.1343   10.614   24.625   15.416   24.625   15.416 -0.000000 0.000000 
1 1 1  -15    0   88 o   42.829   19.309   19.347   12.020   0.0000   0.0000   19.347   12.020   42.829   19.309   42.829   19.309 -0.000000 0.000000 
1 1 1  -15    0   89 o   50.719   19.184   25.130   12.364   0.0000   0.0000   25.130   12.364   50.719   19.184   50.719   19.184 -0.000000 0.000000 
1 1 1  -15    0   90 o  103.869   11.306   78.300   15.435   0.0000   0.0000   78.300   15.435  103.869   11.306  103.869   11.306 -0.000000 0.000000 
1 1 1  -15    1    1 o  532.457   6.6480  1922.78   47.967  1932.82   68.210  1912.96   67.467  533.830   9.4289  531.083   9.3745 2.746826 13.29606 
1 1 1  -15    1    2 o  432.434   6.5872  1265.84   33.480  1263.35   38.672  1273.29   66.895  431.694   6.6105  433.174   11.396 -1.480164 13.17442 
1 1 1  -15    1    3 o  568.842   8.0526  2196.23   53.886  2196.64   62.306  2195.01  107.341  569.163   8.0782  568.520   13.933 0.6425781 16.10524 
1 1 1  -15    1    4 o  667.350   9.1482  3024.96   71.791  3026.29   83.001  3021.01  143.050  667.974   9.1694  666.725   15.833 1.248535 18.29634 
1 1 1  -15    1    5 o  269.229   4.4576  491.358   16.263  486.733   22.951  496.023   23.048  267.956   6.3205  270.502   6.2875 -2.545593 8.915236 
1 1 1  -15    1    6 f  373.686   5.2451  946.495   26.556  970.620   37.920  923.275   37.203  378.358   7.3957  369.014   7.4396 9.344543 10.49021 
1 1 1  -15    1    7 o  488.421   8.7855  1619.29   58.147  1634.31   82.715  1604.61   81.756  490.660   12.440  486.183   12.409 4.477081 17.57100 
1 1 1  -15    1    8 o  485.878   7.5907  1592.35   46.984  1629.59   82.302  1574.34   57.225  489.954   12.396  481.803   8.7647 8.150848 15.18132 
1 1 1  -15    1    9 o  380.579   6.5202  982.556   31.688  982.843   38.795  981.981   54.927  380.729   7.5193  380.430   10.654 0.2989807 13.04049 
1 1 1  -15    1   10 o  275.029   5.5883  510.701   19.563  506.537   23.825  519.319   34.275  273.351   6.4318  276.707   9.1406 -3.356659 11.17666 
1 1 1  -15    1   11 o  663.368   7.8998  2986.16   71.015  2981.80  100.381  2990.52  100.480  662.884   11.175  663.853   11.169 -0.9688110 15.79951 
1 1 1  -15    1   12 o  568.113   6.9884  2189.34   53.801  2199.27   76.297  2179.52   75.876  569.394   9.8880  566.832   9.8780 2.561829 13.97671 
1 1 1  -15    1   13 o  427.390   5.7142  1238.43   33.093  1221.24   46.504  1256.07   47.103  424.386   8.0862  430.394   8.0760 -6.008820 11.42840 
1 1 1  -15    1   14 o  518.894   6.5292  1826.09   45.911  1829.49   65.018  1822.71   64.840  519.375   9.2378  518.412   9.2296 0.9622803 13.05842 
1 1 1  -15    1   15 o  550.706   6.8308  2056.59   50.972  2024.53   71.480  2089.75   72.705  546.341   9.6547  555.072   9.6657 -8.730896 13.66159 
1 1 1  -15    1   16 o  459.851   7.3915  1445.85   43.600  1398.73   74.261  1470.64   53.861  454.000   12.070  465.703   8.5346 -11.70340 14.78295 
1 1 1  -15    1   17 o  703.443   11.781  3361.77  112.296  3320.91  157.495  3404.02  160.158  699.100   16.624  707.785   16.698 -8.684875 23.56253 
1 1 1  -15    1   18 o  738.158   8.6644  3697.37   86.670  3680.66  122.225  3714.27  122.918  736.481   12.247  739.835   12.260 -3.353699 17.32890 
1 1 1  -15    1   19 o  669.971   7.9879  3044.76   72.519  3073.29  103.205  3016.94  101.922  673.069   11.315  666.872   11.278 6.196777 15.97588 
1 1 1  -15    1   20 o  860.352   12.108  5020.24  133.010  5002.85  162.684  5055.30  231.006  858.498   13.984  862.207   19.771 -3.709534 24.21650 
1 1 1  -15    1   21 o  950.805   13.251  6142.22  161.006  6136.91  197.223  6152.83  278.782  950.690   15.309  950.920   21.634 -0.2298584 26.50257 
1 1 1  -15    1   22 o  862.240   12.135  5041.20  133.574  5022.69  163.336  5078.56  232.093  860.230   14.012  864.251   19.817 -4.021179 24.27016 
1 1 1  -15    1   23 o  800.673   11.387  4338.89  116.161  4396.41  202.932  4310.86  141.665  804.304   18.619  797.042   13.116 7.261536 22.77456 
1 1 1  -15    1   24 o  604.307   9.0287  2469.09   69.535  2503.54  121.434  2452.28   84.818  607.292   14.756  601.322   10.409 5.969360 18.05745 
1 1 1  -15    1   25 o  626.920   7.5901  2665.57   64.482  2678.67   91.449  2652.63   90.936  628.451   10.738  625.389   10.730 3.061584 15.18027 
1 1 1  -15    1   26 o  466.306   6.1146  1474.11   38.637  1458.53   54.342  1490.03   54.944  463.815   8.6459  468.798   8.6487 -4.982330 12.22912 
1 1 1  -15    1   27 o  378.337   5.3907  970.313   27.637  974.521   39.205  966.157   38.966  379.152   7.6304  377.522   7.6166 1.630249 10.78132 
1 1 1  -15    1   28 o  629.076   7.6306  2683.25   65.039  2726.90   92.996  2641.46   90.996  634.081   10.823  624.072   10.760 10.00903 15.26119 
1 1 1  -15    1   29 o  564.785   8.5870  2157.22   61.826  2184.07  107.873  2144.08   75.447  567.275   14.033  562.294   9.9013 4.981445 17.17407 
1 1 1  -15    1   30 o  470.034   7.6117  1503.80   45.744  1514.74   56.174  1482.26   78.815  472.659   8.7701  467.408   12.443 5.251801 15.22331 
1 1 1  -15    1   31 o  1162.08   16.014  9232.19  238.516  9318.69  293.836  9065.11  408.394  1170.97   18.517  1153.20   26.133 17.76599 32.02859 
1 1 1  -15    1   32 o  1033.73   11.707  7257.90  163.987  7189.84  230.556  7327.57  233.292  1028.83   16.537  1038.63   16.575 -9.801758 23.41364 
1 1 1  -15    1   33 o  1215.87   13.614 10051.82  224.313 10077.82  317.841 10026.03  316.616  1217.44   19.266  1214.31   19.241 3.126709 27.22803 
1 1 1  -15    1   34 o  543.467   6.8455  2003.10   50.415  2006.17   71.316  2000.04   71.280  543.883   9.6760  543.051   9.6860 0.8323364 13.69102 
1 1 1  -15    1   35 o  795.169   9.2732  4291.85   99.924  4276.98  141.012  4306.85  141.619  793.787   13.109  796.552   13.120 -2.765198 18.54648 
1 1 1  -15    1   36 o  690.577   8.2408  3236.10   77.119  3227.55  108.906  3244.70  109.220  689.662   11.653  691.492   11.656 -1.829102 16.48157 
1 1 1  -15    1   37 o  542.423   6.8406  1995.71   50.282  2000.94   71.187  1990.52   71.033  543.131   9.6720  541.715   9.6762 1.416626 13.68124 
1 1 1  -15    1   38 o  796.193   9.2881  4304.27  100.212  4324.24  142.168  4284.56  141.279  798.027   13.146  794.360   13.124 3.666809 18.57612 
1 1 1  -15    1   39 o  842.338   9.7591  4819.05  111.392  4770.48  156.560  4868.85  158.524  838.042   13.786  846.633   13.817 -8.591064 19.51819 
1 1 1  -15    1   40 o  574.453   7.1529  2239.08   55.682  2239.96   78.788  2238.20   78.706  574.565   10.119  574.340   10.112 0.2250366 14.30576 
1 1 1  -15    1   41 o  651.865   9.6399  2892.79   80.523  2905.38   99.040  2868.25  138.303  654.244   11.171  649.487   15.714 4.756226 19.27979 
1 1 1  -15    1   42 o  493.257   9.0529  1652.57   60.510  1661.77   86.010  1643.57   85.144  494.612   12.832  491.902   12.773 2.709991 18.10575 
1 1 1  -15    1   43 o  329.022   5.1880  734.031   23.128  740.922   33.043  727.412   32.383  330.534   7.3771  327.510   7.2965 3.024170 10.37593 
1 1 1  -15    1   44 o  381.917   5.5367  988.932   28.648  1015.53   41.001  963.562   40.045  386.932   7.8195  376.901   7.8405 10.03094 11.07331 
1 1 1  -15    1   45 o  282.288   4.8981  540.107   18.730  560.705   26.829  520.522   26.162  287.537   6.8853  277.039   6.9685 10.49774 9.796287 
1 1 1  -15    1   46 o  263.375   4.8063  470.358   17.152  481.251   24.443  459.790   24.074  266.380   6.7712  260.371   6.8230 6.009216 9.612682 
1 1 1  -15    1   47 o  471.172   6.2639  1506.62   39.991  1530.31   57.023  1483.68   56.100  474.816   8.8622  467.527   8.8548 7.289185 12.52779 
1 1 1  -15    1   48 o  256.373   6.9072  446.182   23.991  434.331   33.518  458.632   34.355  252.883   9.7807  259.863   9.7557 -6.979614 13.81431 
1 1 1  -15    1   49 o  169.110   5.8787  196.477   12.587  200.914   15.377  187.464   21.915  172.097   6.5933  166.122   9.7347 5.975189 11.75736 
1 1 1  -15    1   50 o  284.553   4.9213  549.356   18.976  542.517   26.701  556.335   26.973  282.763   6.9681  286.342   6.9513 -3.579529 9.842514 
1 1 1  -15    1   51 o  286.705   4.9456  557.562   19.210  540.591   26.863  575.322   27.481  282.241   7.0235  291.170   6.9646 -8.929291 9.891219 
1 1 1  -15    1   52 o  129.208   4.8997  113.308   8.5787  112.722   12.169  113.886   12.095  128.875   6.9681  129.541   6.8901 -0.6662140 9.799389 
1 1 1  -15    1   53 o  406.903   5.7703  1124.30   31.814  1145.47   45.397  1103.87   44.597  410.666   8.1575  403.139   8.1633 7.526855 11.54056 
1 1 1  -15    1   54 o  498.250   6.5397  1687.67   44.156  1693.88   62.591  1681.52   62.301  499.162   9.2531  497.339   9.2440 1.823639 13.07944 
1 1 1  -15    1   55 o  455.473   6.1768  1410.10   38.125  1409.44   53.908  1410.76   53.925  455.366   8.7359  455.580   8.7346 -0.2138062 12.35355 
1 1 1  -15    1   56 f  265.481   4.8809  478.093   17.550  499.421   25.240  458.127   24.420  271.211   6.8674  259.751   6.9376 11.45972 9.761766 
1 1 1  -15    1   57 o  289.474   4.9988  569.007   19.607  557.676   27.551  580.635   27.910  286.552   7.0950  292.397   7.0438 -5.844086 9.997667 
1 1 1  -15    1   58 o  303.043   5.1304  621.959   21.036  668.197   30.704  581.056   28.878  313.628   7.2243  292.457   7.2866 21.17114 10.26079 
1 1 1  -15    1   59 o  207.944   6.5263  293.349   18.322  259.547   25.207  331.211   26.678  195.255   9.5265  220.633   8.9226 -25.37895 13.05253 
1 1 1  -15    1   60 o  293.912   5.0575  586.492   20.133  612.297   28.907  562.179   28.059  300.191   7.1058  287.633   7.1985 12.55832 10.11493 
1 1 1  -15    1   61 o  188.754   4.7412  242.041   12.127  240.880   17.150  243.203   17.151  188.300   6.7210  189.208   6.6891 -0.9080200 9.482394 
1 1 1  -15    1   62 o  135.193   4.9813  124.243   9.1238  127.181   12.889  121.293   12.917  136.801   6.9528  133.586   7.1351 3.215134 9.962520 
1 1 1  -15    1   63 o  123.862   5.2222  104.308   8.7646  102.266   12.335  106.390   12.456  122.635   7.4226  125.088   7.3479 -2.452232 10.44445 
1 1 1  -15    1   64 o  205.157   7.1182  287.171   19.788  290.578   27.945  283.743   28.024  206.388   9.9917  203.926   10.141 2.462433 14.23640 
1 1 1  -15    1   65 o  250.463   7.2056  428.107   24.454  419.571   34.314  436.915   34.857  247.923   10.214  253.003   10.167 -5.080765 14.41114 
1 1 1  -15    1   66 o  158.421   4.9577  170.414   10.604  151.037   14.689  191.505   15.325  149.008   7.2742  167.834   6.7381 -18.82579 9.915458 
1 1 1  -15    1   67 o  200.243   4.8348  272.702   13.118  275.037   18.482  270.331   18.623  201.113   6.7816  199.374   6.8929 1.739761 9.669612 
1 1 1  -15    1   68 o  188.561   4.9668  241.935   12.688  247.369   17.903  236.451   17.985  190.699   6.9279  186.423   7.1191 4.276413 9.933698 
1 1 1  -15    1   69 o  133.473   5.2789  121.300   9.5391  128.250   13.567  114.505   13.415  137.269   7.2932  129.677   7.6340 7.592239 10.55788 
1 1 1  -15    1   70 o  232.556   4.9573  367.819   15.615  352.109   21.809  384.344   22.368  227.455   7.0755  237.657   6.9452 -10.20261 9.914612 
1 1 1  -15    1   71 o  115.152   5.6225   90.388   8.7711   87.607   12.373   93.198   12.436  113.362   8.0543  116.942   7.8472 -3.579567 11.24503 
1 1 1  -15    1   72 o   98.231   6.1699   66.006   8.1913   60.593   11.601   71.388   11.568   94.176   9.0901  102.287   8.3452 -8.111496 12.33989 
1 1 1  -15    1   73 o  144.463   5.3650  142.313   10.491  151.235   14.929  133.608   14.745  148.959   7.3956  139.967   7.7741 8.992828 10.72992 
1 1 1  -15    1   74 o  207.912   6.8594  296.110   19.323  303.505   27.458  288.855   27.198  210.501   9.6258  205.323   9.7749 5.177673 13.71876 
1 1 1  -15    1   75 o  197.654   5.0669  266.423   13.570  264.030   19.027  268.900   19.360  196.756   7.1361  198.552   7.1951 -1.795303 10.13377 
1 1 1  -15    1   76 o  178.732   5.0513  217.982   12.226  229.026   17.435  207.295   17.150  183.207   7.0225  174.257   7.2626 8.950729 10.10253 
1 1 1  -15    1   77 o  117.047   5.6494   93.764   8.9605   94.886   12.701   92.651   12.643  117.749   7.9597  116.345   8.0191 1.403343 11.29881 
1 1 1  -15    1   78 o   93.998   6.5140   61.379   8.1926   71.272   11.466   51.061   11.710  101.946   8.2998   86.050   10.042 15.89567 13.02797 
1 1 1  -15    1   79 o  175.867   7.5553  214.255   17.979  199.174   25.214  229.854   25.643  169.464   10.979  182.271   10.382 -12.80693 15.11053 
1 1 1  -15    1   80 o  225.071   5.0387  347.081   15.366  343.623   21.849  350.465   21.613  223.936   7.1999  226.206   7.0508 -2.270340 10.07734 
1 1 1  -15    1   81 o   35.380   9.4243   6.7484   6.1687   5.6788   8.7666   7.7974   8.6818   34.269   13.261   36.491   13.395 -2.222603 18.84866 
1 1 1  -15    1   82 o  105.460   5.8056   76.782   8.2817   71.089   11.653   82.592   11.772  101.445   8.4768  109.474   7.9350 -8.029617 11.61122 
1 1 1  -15    1   83 o   77.634   6.9293   42.190   7.1989   50.517   10.313   34.278   10.054   85.324   8.9193   69.944   10.607 15.37955 13.85856 
1 1 1  -15    1   84 o   58.604   8.5834   25.215   6.5951   22.066   9.2098   28.529   9.4487   54.592   12.690   62.617   11.561 -8.024895 17.16672 
1 1 1  -15    1   85 o   97.521   6.0133   66.162   7.9379   62.011   11.105   70.500   11.351   94.339   8.6865  100.704   8.3176 -6.365547 12.02656 
1 1 1  -15    1   86 o  142.982   7.1137  144.478   13.751  132.686   19.356  156.494   19.538  136.867   10.436  149.098   9.6701 -12.23116 14.22750 
1 1 1  -15    1   87 o   53.620   11.397   22.737   9.2894   15.068   14.268   28.379   12.238   46.690   17.167   60.549   14.994 -13.85906 22.79307 
1 1 1  -15    1   88 f   58.517   15.397   26.919   12.375   0.0000   0.0000   26.919   12.375  ?   ?    58.517   15.397      ?      ? 
1 1 1  -15    1   89 f  124.058   7.4283  110.637   12.476  112.086   18.086  109.322   17.232  124.695   10.703  123.420   10.303 1.274445 14.85661 
1 1 1  -15    1   90 o   57.314   10.668   26.073   8.6391   34.377   12.433   18.319   12.013   66.297   14.262   48.330   15.869 17.96648 21.33599 
1 1 1  -15    2    1 o  695.185   9.4442  3286.08   77.335  3291.72   89.514  3269.47  153.568  696.680   9.4815  693.689   16.336 2.991821 18.88847 
1 1 1  -15    2    2 o  1216.91   19.291 10111.56  318.102 10211.95  453.578 10014.40  446.239  1222.82   27.372  1210.99   27.192 11.82288 38.58291 
1 1 1  -15    2    3 o  858.948   19.686  5019.94  229.148   0.0000   0.0000  5019.94  229.148  ?   ?   858.948   19.686      ?      ? 
1 1 1  -15    2    4 o  409.547   6.4053  1159.71   31.283  1185.44   36.642  1090.52   60.083  418.180   6.4660  400.913   11.059 17.26703 12.81057 
1 1 1  -15    2    5 o  507.450   7.3712  1751.04   44.188  1755.40   51.232  1738.37   87.322  508.838   7.4298  506.063   12.733 2.774445 14.74231 
1 1 1  -15    2    6 o  407.317   6.3313  1122.33   30.460  1119.42   35.267  1130.87   60.436  406.370   6.4043  408.264   10.924 -1.894348 12.66265 
1 1 1  -15    2    7 o  283.305   4.5753  544.076   17.565  545.066   24.936  543.100   24.746  283.561   6.4892  283.049   6.4516 0.5111694 9.150572 
1 1 1  -15    2    8 o  287.083   4.6019  558.698   17.903  553.578   25.301  563.833   25.335  285.765   6.5335  288.401   6.4825 -2.635834 9.203826 
1 1 1  -15    2    9 o  397.003   5.4355  1068.63   29.242  1064.97   41.366  1072.29   41.344  396.323   7.7021  397.683   7.6717 -1.359985 10.87093 
1 1 1  -15    2   10 o  518.993   6.5199  1826.77   45.855  1830.97   64.962  1822.59   64.735  519.589   9.2261  518.398   9.2149 1.190918 13.03976 
1 1 1  -15    2   11 o  400.440   6.7632  1094.59   34.629  1109.12   42.594  1066.26   59.476  404.454   7.7713  396.427   11.071 8.027069 13.52643 
1 1 1  -15    2   12 o  837.899   11.860  4799.58  127.448  4860.23  157.238  4683.42  217.606  846.081   13.714  829.717   19.353 16.36432 23.71984 
1 1 1  -15    2   13 o  1234.49   13.783 10367.35  230.579 10342.33  325.659 10392.50  326.517  1232.99   19.490  1235.98   19.494 -2.985596 27.56643 
1 1 1  -15    2   14 o  713.169   8.3952  3450.83   81.130  3413.90  114.037  3488.69  115.448  709.306   11.864  717.031   11.881 -7.725403 16.79043 
1 1 1  -15    2   15 o  790.597   9.1776  4242.33   98.326  4242.96  139.102  4241.70  139.006  790.656   12.983  790.539   12.976 0.1162109 18.35528 
1 1 1  -15    2   16 o  882.686   10.111  5289.78  120.944  5300.57  171.308  5279.05  170.774  883.583   14.307  881.789   14.291 1.793823 20.22211 
1 1 1  -15    2   17 o  547.162   8.3157  2041.20   58.451  2063.06   72.196  1999.63   99.582  551.551   9.6593  542.773   13.539 8.778015 16.63131 
1 1 1  -15    2   18 o  539.508   8.2171  1970.17   56.715  1961.08   69.480  1988.31   98.182  537.759   9.5343  541.257   13.386 -3.497864 16.43427 
1 1 1  -15    2   19 o  574.756   8.6439  2255.62   63.894  2287.55   79.086  2195.61  108.420  580.776   10.049  568.735   14.067 12.04108 17.28778 
1 1 1  -15    2   20 o  520.100   6.5728  1834.20   46.325  1820.05   65.324  1848.52   65.704  518.081   9.3045  522.118   9.2863 -4.037109 13.14567 
1 1 1  -15    2   21 o  889.575   12.530  5418.70  143.229  5242.22  243.031  5512.61  177.289  877.990   20.426  901.161   14.518 -23.17023 25.05985 
1 1 1  -15    2   22 o  589.429   8.8934  2362.58   67.011  2373.42   82.218  2341.14  115.654  591.581   10.256  587.277   14.532 4.304626 17.78673 
1 1 1  -15    2   23 o  355.241   5.1973  855.198   25.016  836.079   35.046  875.059   35.719  351.194   7.3640  359.288   7.3362 -8.094238 10.39465 
1 1 1  -15    2   24 o  1084.02   14.983  8023.99  208.115  7894.16  356.747  8090.96  256.234  1076.67   24.451  1091.38   17.325 -14.70410 29.96682 
1 1 1  -15    2   25 o  835.920   11.850  4768.79  126.973  4674.02  217.284  4817.94  156.468  829.258   19.335  842.583   13.703 -13.32507 23.69908 
1 1 1  -15    2   26 o  790.344   9.1960  4238.31   98.490  4221.18  138.926  4255.61  139.648  788.740   12.998  791.948   13.012 -3.208557 18.39191 
1 1 1  -15    2   27 o  1203.92   16.516  9811.75  252.897 10022.74  444.061  9710.46  307.666  1212.52   27.025  1195.32   18.994 17.19128 33.03236 
1 1 1  -15    2   28 o  1307.44   17.854 11567.35  296.500 11868.11  522.428 11424.45  360.117  1318.69   29.235  1296.19   20.502 22.50708 35.70712 
1 1 1  -15    2   29 o  663.696   7.9576  2987.87   71.570  2993.34  101.397  2982.44  101.034  664.300   11.264  663.091   11.244 1.209839 15.91515 
1 1 1  -15    2   30 o  733.899   8.6555  3651.11   86.042  3549.17  119.493  3760.88  123.996  723.273   12.191  744.525   12.290 -21.25183 17.31104 
1 1 1  -15    2   31 o  865.458   12.233  5066.04  134.691  5023.13  163.957  5155.11  236.211  860.244   14.065  870.672   20.020 -10.42780 24.46653 
1 1 1  -15    2   32 o  1000.44   11.361  6796.54  154.005  6698.56  215.724  6898.37  219.929  993.093   16.030  1007.78   16.104 -14.69128 22.72198 
1 1 1  -15    2   33 o  892.861   10.257  5410.28  124.069  5299.71  173.132  5527.00  177.883  883.493   14.461  902.229   14.549 -18.73590 20.51317 
1 1 1  -15    2   34 o  1233.58   13.806 10350.88  230.789 10414.10  327.732 10288.69  325.055  1237.31   19.546  1229.85   19.504 7.462280 27.61244 
1 1 1  -15    2   35 o  1224.30   13.715 10195.88  227.526 10324.44  324.500 10071.56  319.107  1231.88   19.439  1216.72   19.354 15.15820 27.43034 
1 1 1  -15    2   36 o  370.059   5.4033  928.485   27.096  934.121   38.424  922.910   38.217  371.176   7.6391  368.942   7.6439 2.234314 10.80666 
1 1 1  -15    2   37 o  303.461   4.9457  624.309   20.337  615.756   28.676  632.964   28.847  301.369   7.0217  305.552   6.9667 -4.183411 9.891412 
1 1 1  -15    2   38 o  325.335   5.0893  717.620   22.437  712.620   31.661  722.665   31.801  324.196   7.2066  326.474   7.1881 -2.277405 10.17866 
1 1 1  -15    2   39 o  533.766   6.7765  1932.83   49.016  1934.31   69.347  1931.35   69.292  533.970   9.5836  533.561   9.5833 0.4090576 13.55303 
1 1 1  -15    2   40 o  688.495   10.060  3217.26   88.577  3209.75  108.546  3232.22  153.247  687.616   11.649  689.374   16.404 -1.757568 20.11951 
1 1 1  -15    2   41 o  571.744   8.6930  2211.47   63.564  2194.65   77.792  2245.28  110.262  568.692   10.094  574.796   14.156 -6.103516 17.38608 
1 1 1  -15    2   42 o  466.196   7.5946  1474.57   45.225  1477.58   78.394  1473.06   55.367  466.411   12.403  465.982   8.7679 0.4286804 15.18923 
1 1 1  -15    2   43 o  513.935   6.6232  1792.31   46.127  1799.24   65.413  1785.46   65.055  514.922   9.3744  512.947   9.3589 1.974915 13.24642 
1 1 1  -15    2   44 o  482.385   6.3471  1578.68   41.486  1605.35   59.192  1552.92   58.162  486.390   8.9804  478.380   8.9719 8.009216 12.69415 
1 1 1  -15    2   45 o  377.315   5.5064  965.758   28.154  972.154   40.009  959.484   39.625  378.552   7.7992  376.078   7.7751 2.473450 11.01273 
1 1 1  -15    2   46 o  332.871   5.1947  751.420   23.429  765.610   33.493  737.824   32.785  335.946   7.3571  329.795   7.3357 6.151306 10.38942 
1 1 1  -15    2   47 o  449.705   7.4536  1364.85   42.616  1400.02   74.974  1348.06   51.797  453.757   12.193  445.654   8.5768 8.102875 14.90722 
1 1 1  -15    2   48 o  230.321   6.8138  360.409   21.261  367.399   29.909  353.269   30.227  232.587   9.4893  228.055   9.7809 4.532867 13.62766 
1 1 1  -15    2   49 o  359.239   5.4102  875.516   26.333  897.654   37.656  854.331   36.837  363.682   7.6407  354.796   7.6617 8.886078 10.82045 
1 1 1  -15    2   50 o  396.437   5.6750  1066.85   30.486  1079.77   43.377  1054.24   42.856  398.809   8.0262  394.065   8.0252 4.743744 11.35006 
1 1 1  -15    2   51 o  247.799   4.7664  416.661   16.005  411.375   22.568  422.010   22.702  246.217   6.7637  249.381   6.7177 -3.164749 9.532842 
1 1 1  -15    2   52 o  412.458   5.8026  1155.10   32.429  1178.34   46.309  1132.73   45.425  416.529   8.2042  408.387   8.2081 8.141357 11.60529 
1 1 1  -15    2   53 o  141.614   4.8224  136.219   9.2401  127.030   13.026  145.526   13.109  136.796   7.0270  146.432   6.6062 -9.636307 9.644702 
1 1 1  -15    2   54 o  243.478   4.7807  402.409   15.774  403.392   22.324  401.428   22.291  243.775   6.7576  243.181   6.7641 0.5945282 9.561336 
1 1 1  -15    2   55 o  307.855   5.1064  643.492   21.301  655.739   30.320  631.557   29.933  310.749   7.2001  304.961   7.2430 5.787689 10.21288 
1 1 1  -15    2   56 o  335.424   5.2849  764.113   24.020  778.240   34.219  750.389   33.726  338.481   7.4601  332.366   7.4879 6.114960 10.56988 
1 1 1  -15    2   57 o  330.228   5.2582  740.805   23.530  732.186   33.140  749.566   33.414  328.290   7.4493  332.166   7.4231 -3.876648 10.51640 
1 1 1  -15    2   58 o  221.032   6.5396  332.529   19.581  321.874   27.666  343.223   27.717  217.469   9.3879  224.595   9.1067 -7.125824 13.07916 
1 1 1  -15    2   59 o  253.510   6.7214  437.474   23.087  442.170   33.022  432.984   32.289  254.833   9.5625  252.186   9.4483 2.646225 13.44286 
1 1 1  -15    2   60 o  195.796   4.7481  260.442   12.597  264.487   17.794  256.379   17.834  197.324   6.6545  194.268   6.7745 3.056747 9.496125 
1 1 1  -15    2   61 o  182.971   4.7987  227.462   11.898  227.429   16.784  227.495   16.870  182.959   6.7695  182.983   6.8034 -0.2403259E-01 9.597487 
1 1 1  -15    2   62 o  228.128   4.8218  353.389   14.900  366.405   21.394  341.126   20.765  232.206   6.7987  224.049   6.8393 8.157333 9.643531 
1 1 1  -15    2   63 o  154.675   4.9322  162.654   10.325  152.180   14.505  173.413   14.701  149.613   7.1543  159.736   6.7913 -10.12337 9.864345 
1 1 1  -15    2   64 o  116.253   8.0595   92.453   12.685   93.954   17.650   90.850   18.243  117.255   11.108  115.251   11.680 2.004494 16.11897 
1 1 1  -15    2   65 o  248.824   6.1463  424.095   19.384  415.267   33.896  428.386   23.629  246.644   10.141  251.004   6.9468 -4.360321 12.29260 
1 1 1  -15    2   66 o  244.263   4.9315  405.751   16.323  401.929   23.031  409.609   23.139  243.105   6.9909  245.421   6.9574 -2.315964 9.862996 
1 1 1  -15    2   67 o  128.025   5.3183  111.534   9.2205  105.962   12.934  117.291   13.148  124.765   7.6499  131.286   7.3904 -6.520744 10.63667 
1 1 1  -15    2   68 o  227.610   4.9620  352.384   15.303  358.843   21.813  346.122   21.476  229.665   7.0087  225.555   7.0261 4.109863 9.924075 
1 1 1  -15    2   69 o  123.006   5.4480  103.077   9.0707   96.833   12.764  109.448   12.893  119.225   7.9002  126.787   7.5041 -7.561943 10.89602 
1 1 1  -15    2   70 o  188.958   4.9310  242.908   12.624  249.765   18.033  236.319   17.678  191.576   6.9463  186.341   7.0007 5.234573 9.862046 
1 1 1  -15    2   71 o  166.715   5.0176  189.269   11.327  179.727   15.946  198.987   16.092  162.456   7.2434  170.974   6.9454 -8.517822 10.03521 
1 1 1  -15    2   72 o  159.291   5.1225  172.782   11.053  179.590   15.793  166.245   15.475  162.374   7.1775  156.209   7.3106 6.164688 10.24500 
1 1 1  -15    2   73 o  258.776   6.0701  451.052   20.207  477.706   34.959  437.678   24.763  264.127   9.7670  253.425   7.2105 10.70221 12.14026 
1 1 1  -15    2   74 o  194.275   6.0588  260.035   15.279  265.352   19.157  250.741   25.328  197.283   7.1656  191.267   9.7720 6.015930 12.11769 
1 1 1  -15    2   75 o  188.104   5.0307  241.323   12.818  251.067   18.254  231.844   18.004  191.866   7.0207  184.342   7.2071 7.523926 10.06141 
1 1 1  -15    2   76 o  132.602   5.3682  120.149   9.6460  118.966   13.615  121.341   13.668  131.943   7.6149  133.260   7.5685 -1.317490 10.73635 
1 1 1  -15    2   77 o  150.746   5.1824  155.378   10.581  161.119   14.964  149.637   14.964  153.556   7.1912  147.936   7.4644 5.620453 10.36487 
1 1 1  -15    2   78 o  119.414   7.1373   99.437   10.692  101.238   12.956   95.592   18.931  121.554   7.8656  117.275   11.912 4.278580 14.27458 
1 1 1  -15    2   79 f  194.912   6.3393  264.405   15.644  253.455   27.219  269.805   19.116  191.287   10.501  198.538   7.1052 -7.250870 12.67853 
1 1 1  -15    2   80 o  131.346   5.3890  118.591   9.5738  110.687   13.576  126.410   13.503  126.925   7.8931  135.768   7.3392 -8.842896 10.77798 
1 1 1  -15    2   81 o  115.700   5.5401   92.076   8.6851   90.206   12.169   94.016   12.399  114.502   7.8428  116.899   7.8269 -2.396858 11.08017 
1 1 1  -15    2   82 o  121.944   6.3300   97.663   10.064   84.752   12.354  123.137   17.353  110.794   8.2285  133.094   9.6213 -22.29931 12.66009 
1 1 1  -15    2   83 o  108.308   7.5303   86.389   10.144   70.623   17.305   94.643   12.521   99.564   12.826  117.051   7.8940 -17.48714 15.06056 
1 1 1  -15    2   84 o   66.747   9.7039   34.188   8.0014   28.680   14.242   36.728   9.6721   61.083   16.718   72.410   9.8568 -11.32737 19.40773 
1 1 1  -15    2   85 o   48.058   9.2994   17.164   6.2799   20.265   9.0298   14.259   8.7396   52.068   12.871   44.049   13.426 8.018829 18.59880 
1 1 1  -15    2   86 o  130.960   6.3044  111.579   10.629  149.017   19.008   94.548   12.821  145.428   9.6450  116.492   8.1214 28.93679 12.60886 
1 1 1  -15    2   87 o   65.434   10.575   32.772   9.2330   41.502   13.651   25.410   12.535   73.889   14.149   56.979   15.722 16.91027 21.15071 
1 1 1  -15    2   88 o   58.914   10.719   26.766   8.8761   37.330   13.104   17.808   12.066   69.575   14.374   48.253   15.907 21.32188 21.43897 
1 1 1  -15    2   89 o   87.253   9.0929   56.909   10.388   67.319   14.988   47.285   14.410   96.113   11.507   78.392   14.082 17.72101 18.18583 
1 1 1  -15    2   90 o  159.210   9.9642  182.243   21.498  182.243   21.498   0.0000   0.0000  159.210   9.9642  ?   ?       ?      ? 
1 1 1  -15    2   91 o  129.152   10.594  121.364   18.541  121.364   18.541   0.0000   0.0000  129.152   10.594  ?   ?       ?      ? 
1 1 1  -15    3    1 o  691.924   8.1903  3247.72   76.793  3283.13  109.103  3212.95  108.108  695.663   11.573  688.186   11.592 7.477234 16.38050 
1 1 1  -15    3    2 o  905.607   11.940  5646.14  128.542  5729.39  150.019  5416.22  249.314  918.928   12.047  892.287   20.619 26.64063 23.88012 
1 1 1  -15    3    3 o  623.873   8.6092  2629.77   63.177  2618.51   72.963  2663.48  126.290  621.435   8.6642  626.311   14.880 -4.876038 17.21847 
1 1 1  -15    3    4 o  303.060   5.3519  625.532   19.411  628.820   22.680  616.527   37.535  304.595   5.4945  301.525   9.1860 3.070740 10.70389 
1 1 1  -15    3    5 o  646.702   9.4563  2849.61   78.689  2873.99   97.311  2803.57  133.751  650.892   11.032  642.512   15.361 8.379456 18.91269 
1 1 1  -15    3    6 o  602.647   8.9144  2453.28   68.785  2430.30   84.241  2499.26  119.149  598.583   10.385  606.712   14.492 -8.129028 17.82889 
1 1 1  -15    3    7 o  454.826   6.7965  1404.36   36.626  1405.88   42.515  1400.00   72.132  455.403   6.8891  454.249   11.718 1.154022 13.59304 
1 1 1  -15    3    8 o  453.701   6.8041  1407.19   36.728  1419.58   42.812  1372.62   71.479  457.617   6.9036  449.786   11.727 7.831512 13.60824 
1 1 1  -15    3    9 o  614.080   7.4121  2557.40   61.675  2589.03   87.962  2526.80   86.498  617.813   10.506  610.347   10.458 7.466431 14.82418 
1 1 1  -15    3   10 o  646.783   7.7332  2837.75   67.780  2839.27   95.990  2836.24   95.720  646.954   10.949  646.611   10.924 0.3428955 15.46640 
1 1 1  -15    3   11 o  305.695   4.7694  633.466   19.757  626.968   27.913  639.991   27.968  304.124   6.7728  307.267   6.7169 -3.143494 9.538756 
1 1 1  -15    3   12 o  632.892   10.769  2717.01   92.360  2717.01   92.360   0.0000   0.0000  632.892   10.769  ?   ?       ?      ? 
1 1 1  -15    3   13 o  909.461   14.685  5615.67  180.983  5615.67  180.983   0.0000   0.0000  909.461   14.685  ?   ?       ?      ? 
1 1 1  -15    3   14 o  719.105   10.344  3535.62   95.713  3591.99  118.595  3430.32  162.094  727.614   12.028  710.596   16.833 17.01794 20.68855 
1 1 1  -15    3   15 o  497.144   7.7289  1684.10   49.416  1701.08   61.100  1651.99   84.024  500.870   9.0019  493.417   12.566 7.452942 15.45784 
1 1 1  -15    3   16 o  645.253   7.7363  2824.09   67.647  2817.50   95.586  2830.71   95.748  644.499   10.944  646.008   10.937 -1.508911 15.47263 
1 1 1  -15    3   17 o  671.658   7.9958  3060.14   72.777  3062.66  103.013  3057.62  102.832  671.934   11.313  671.381   11.303 0.5525513 15.99168 
1 1 1  -15    3   18 o  665.343   7.9365  3002.09   71.549  3047.77  102.154  2958.10  100.246  670.308   11.246  660.377   11.202 9.930542 15.87307 
1 1 1  -15    3   19 o  775.862   9.0336  4084.44   94.979  4086.76  134.452  4082.14  134.190  776.080   12.784  775.643   12.767 0.4367676 18.06725 
1 1 1  -15    3   20 o  615.955   7.4629  2573.13   62.293  2563.88   87.969  2582.43   88.222  614.845   10.558  617.066   10.550 -2.221252 14.92579 
1 1 1  -15    3   21 o  313.269   4.8788  665.211   20.712  666.905   29.354  663.531   29.227  313.666   6.9059  312.872   6.8935 0.7941895 9.757652 
1 1 1  -15    3   22 o  561.340   6.9564  2136.71   52.916  2146.68   75.126  2126.90   74.545  562.638   9.8532  560.042   9.8223 2.596252 13.91275 
1 1 1  -15    3   23 o  364.939   5.2635  902.081   26.019  869.763   36.239  936.470   37.381  358.198   7.4656  371.681   7.4217 -13.48343 10.52696 
1 1 1  -15    3   24 o  434.876   8.2544  1282.12   48.644   0.0000   0.0000  1282.12   48.644  ?   ?   434.876   8.2544      ?      ? 
1 1 1  -15    3   25 o  633.739   10.823  2723.96   92.947   0.0000   0.0000  2723.96   92.947  ?   ?   633.739   10.823      ?      ? 
1 1 1  -15    3   26 o  813.419   13.366  4489.92  147.337   0.0000   0.0000  4489.92  147.337  ?   ?   813.419   13.366      ?      ? 
1 1 1  -15    3   27 o  825.526   11.772  4660.13  124.775  4729.43  154.204  4528.71  212.349  834.799   13.631  816.253   19.197 18.54626 23.54464 
1 1 1  -15    3   28 o  575.406   7.1175  2244.95   55.494  2213.78   77.832  2277.17   79.145  571.346   10.053  579.467   10.079 -8.120544 14.23507 
1 1 1  -15    3   29 o  413.736   5.6922  1160.09   31.909  1185.94   45.637  1135.38   44.631  418.242   8.0521  409.230   8.0479 9.012054 11.38441 
1 1 1  -15    3   30 o  535.751   8.3561  1961.38   57.284  1990.92   70.544  1904.20   98.153  541.832   9.6076  529.670   13.675 12.16260 16.71228 
1 1 1  -15    3   31 o  807.019   11.538  4423.93  118.776  4423.50  145.253  4424.80  206.341  807.307   13.277  806.730   18.874 0.5767822 23.07658 
1 1 1  -15    3   32 o  393.113   5.5592  1047.01   29.605  1081.02   42.513  1014.99   41.250  399.306   7.8566  386.920   7.8673 12.38620 11.11849 
1 1 1  -15    3   33 o  760.478   8.9205  3925.10   91.930  3915.42  129.823  3934.83  130.195  759.538   12.613  761.417   12.618 -1.879211 17.84099 
1 1 1  -15    3   34 o  766.872   8.9879  3991.83   93.404  3997.12  132.236  3986.56  131.951  767.378   12.716  766.365   12.706 1.012939 17.97585 
1 1 1  -15    3   35 o  548.054   6.8945  2037.14   51.201  2061.64   72.941  2013.34   71.889  551.302   9.7634  544.807   9.7373 6.494690 13.78907 
1 1 1  -15    3   36 o  501.606   6.4832  1706.54   44.069  1713.73   62.523  1699.44   62.124  502.655   9.1788  500.556   9.1585 2.099060 12.96645 
1 1 1  -15    3   37 o  227.513   4.6186  350.907   14.237  341.585   20.055  360.378   20.215  224.466   6.5929  230.560   6.4700 -6.094467 9.237287 
1 1 1  -15    3   38 o  442.070   5.9803  1325.43   35.826  1325.90   50.696  1324.96   50.635  442.147   8.4610  441.992   8.4538 0.1556091 11.96061 
1 1 1  -15    3   39 o  511.225   7.9866  1761.51   52.152  1737.14   63.650  1811.30   90.973  506.031   9.2819  516.418   13.000 -10.38696 15.97320 
1 1 1  -15    3   40 o  347.315   6.3688  819.916   28.499  823.487   35.254  813.182   48.413  348.474   7.4655  346.156   10.321 2.318359 12.73766 
1 1 1  -15    3   41 o  407.917   7.0087  1124.41   36.442  1143.35   63.664  1115.19   44.443  410.353   11.449  405.481   8.0881 4.872284 14.01749 
1 1 1  -15    3   42 o  376.483   6.7446  967.960   32.498  943.224   55.713  980.717   40.009  372.715   11.031  380.251   7.7644 -7.536011 13.48920 
1 1 1  -15    3   43 o  392.596   5.6085  1045.56   29.838  1043.96   42.191  1047.17   42.204  392.294   7.9365  392.898   7.9267 -0.6040039 11.21696 
1 1 1  -15    3   44 o  537.612   6.8377  1961.65   49.811  1931.74   69.870  1992.56   71.030  533.446   9.6653  541.778   9.6747 -8.332458 13.67546 
1 1 1  -15    3   45 o  620.817   7.6112  2617.91   64.030  2597.68   90.161  2638.50   90.949  618.398   10.759  623.236   10.769 -4.838074 15.22235 
1 1 1  -15    3   46 o  192.526   5.6280  247.989   13.848  262.072   24.282  241.201   16.858  196.475   9.1201  188.577   6.5970 7.897385 11.25591 
1 1 1  -15    3   47 o  344.711   7.5696  807.645   35.352  826.736   49.947  788.482   50.042  348.806   10.567  340.615   10.842 8.191193 15.13924 
1 1 1  -15    3   48 o  288.155   6.1553  562.245   22.466  559.453   27.260  568.157   39.668  287.150   7.0054  289.161   10.123 -2.010681 12.31067 
1 1 1  -15    3   49 o  402.780   5.7125  1101.37   31.180  1108.52   44.198  1094.29   43.992  404.082   8.0714  401.478   8.0859 2.603516 11.42497 
1 1 1  -15    3   50 o  291.602   4.9792  576.694   19.667  553.969   27.453  600.653   28.189  285.702   7.0909  297.503   6.9921 -11.80154 9.958424 
1 1 1  -15    3   51 o  422.644   5.8876  1213.21   33.720  1219.17   47.859  1207.33   47.517  423.673   8.3359  421.614   8.3167 2.058624 11.77516 
1 1 1  -15    3   52 o  281.195   4.9415  536.735   18.830  534.826   26.634  538.642   26.625  280.695   7.0019  281.696   6.9747 -1.001709 9.882969 
1 1 1  -15    3   53 o  215.861   4.6950  316.159   13.731  325.637   19.610  307.043   19.232  219.036   6.6066  212.687   6.6727 6.348877 9.389983 
1 1 1  -15    3   54 o  182.848   4.6601  226.948   11.547  226.579   16.339  227.317   16.321  182.699   6.5994  182.997   6.5814 -0.2981720 9.320227 
1 1 1  -15    3   55 o  273.365   4.9117  507.423   18.195  505.813   25.714  509.037   25.750  272.930   6.9524  273.799   6.9399 -0.8695374 9.823390 
1 1 1  -15    3   56 o  193.698   4.6905  254.656   12.309  263.015   17.575  246.608   17.244  196.820   6.5893  190.577   6.6772 6.242996 9.381026 
1 1 1  -15    3   57 o  373.435   5.5601  947.768   28.136  954.059   39.974  941.591   39.611  374.662   7.8732  372.209   7.8531 2.453125 11.12021 
1 1 1  -15    3   58 o  329.281   7.3346  738.812   32.720  715.820   46.068  762.218   46.480  324.091   10.489  334.472   10.255 -10.38126 14.66915 
1 1 1  -15    3   59 o  258.182   4.9257  452.850   17.230  465.427   24.476  440.494   24.260  261.742   6.9005  254.622   7.0309 7.120239 9.851456 
1 1 1  -15    3   60 o  492.489   6.5352  1651.66   43.615  1647.59   61.602  1655.74   61.759  491.882   9.2417  493.096   9.2425 -1.213715 13.07034 
1 1 1  -15    3   61 o  256.401   4.9140  446.557   17.070  458.398   24.451  435.299   23.841  259.715   6.9473  253.087   6.9515 6.628555 9.827957 
1 1 1  -15    3   62 o  240.852   4.8695  394.172   15.887  378.717   22.291  410.127   22.649  236.046   6.9686  245.658   6.8035 -9.611938 9.739056 
1 1 1  -15    3   63 o  175.376   6.2446  214.808   13.699  224.173   16.667  195.303   24.053  181.609   6.7722  169.143   10.494 12.46622 12.48911 
1 1 1  -15    3   64 o  348.990   6.7244  819.369   29.862  863.043   52.753  798.775   36.225  355.375   10.954  342.605   7.8024 12.76996 13.44881 
1 1 1  -15    3   65 o  293.880   5.1360  587.479   20.454  592.005   28.999  582.998   28.854  295.008   7.2537  292.752   7.2730 2.255920 10.27199 
1 1 1  -15    3   66 o  156.506   4.9907  166.563   10.583  162.214   14.841  171.062   15.095  154.425   7.0918  158.587   7.0239 -4.161774 9.981423 
1 1 1  -15    3   67 o  221.749   4.9743  334.527   14.947  332.607   21.161  336.439   21.116  221.110   7.0624  222.388   7.0069 -1.277176 9.948554 
1 1 1  -15    3   68 o  148.211   5.1156  149.500   10.274  149.466   14.622  149.533   14.438  148.191   7.2812  148.232   7.1875 -0.4154968E-01 10.23113 
1 1 1  -15    3   69 f  196.818   4.9189  263.607   13.119  265.669   18.539  261.539   18.567  197.593   6.9237  196.043   6.9887 1.549637 9.837703 
1 1 1  -15    3   70 o  376.002   5.6914  963.603   28.997  950.194   40.721  977.398   41.303  373.348   8.0486  378.655   8.0492 -5.306580 11.38284 
1 1 1  -15    3   71 o  276.246   5.1152  519.719   19.148  512.599   26.939  526.989   27.221  274.332   7.2465  278.161   7.2215 -3.828827 10.23039 
1 1 1  -15    3   72 o  305.757   6.4209  643.491   25.229  624.749   42.815  653.460   31.225  301.882   10.466  309.632   7.4418 -7.749756 12.84187 
1 1 1  -15    3   73 o  217.509   6.0070  319.478   16.826  335.329   28.984  311.420   20.665  221.264   9.6665  213.754   7.1341 7.509949 12.01400 
1 1 1  -15    3   74 o  279.088   6.2709  537.212   22.600  547.303   28.152  518.918   37.905  283.241   7.3344  274.936   10.174 8.305237 12.54185 
1 1 1  -15    3   75 o  288.676   5.2411  569.022   20.501  577.065   29.014  561.001   28.973  290.728   7.3645  286.625   7.4592 4.103180 10.48214 
1 1 1  -15    3   76 o  247.319   5.0950  417.645   17.066  438.048   24.372  398.017   23.905  253.271   7.1011  241.366   7.3084 11.90541 10.19010 
1 1 1  -15    3   77 o  160.493   6.7695  182.567   13.376  190.844   16.101  164.136   24.027  167.099   7.1106  153.888   11.522 13.21173 13.53907 
1 1 1  -15    3   78 o  124.814   7.7722  106.779   13.146  106.779   13.146   0.0000   0.0000  124.814   7.7722  ?   ?       ?      ? 
1 1 1  -15    3   79 o  168.975   6.4391  193.775   13.771  205.664   24.595  188.346   16.621  172.191   10.540  165.759   7.3994 6.432312 12.87827 
1 1 1  -15    3   80 o  147.239   5.2668  148.766   10.506  151.535   15.070  146.148   14.654  148.561   7.4857  145.916   7.4110 2.645401 10.53369 
1 1 1  -15    3   81 o   78.985   6.7936   43.394   7.2009   51.208   10.342   36.039   10.033   86.042   8.8694   71.928   10.293 14.11401 13.58711 
1 1 1  -15    3   82 o  108.760   5.6478   81.649   8.3184   85.705   11.850   77.710   11.679  111.458   7.8459  106.063   8.1259 5.394783 11.29552 
1 1 1  -15    3   83 o   76.724   6.9828   41.191   7.2163   35.612   10.063   47.099   10.354   71.234   10.424   82.213   9.2938 -10.97845 13.96565 
1 1 1  -15    3   84 o   88.623   6.3383   54.768   7.5954   50.126   10.617   59.634   10.870   84.695   9.2507   92.551   8.6671 -7.856270 12.67657 
1 1 1  -15    3   85 o  164.783   6.0894  186.624   12.891  198.724   22.350  180.592   15.780  168.003   9.8171  161.563   7.2076 6.440155 12.17886 
1 1 1  -15    3   86 o   51.523   10.315   20.355   7.3386   19.354   12.491   20.882   9.0689   50.419   16.153   52.626   12.832 -2.206718 20.62997 
1 1 1  -15    3   87 o   50.213   11.191   19.353   8.5495   16.647   11.907   22.233   12.284   47.125   15.810   53.301   15.844 -6.176559 22.38288 
1 1 1  -15    3   88 o   56.953   10.755   25.496   8.5978   31.758   12.362   19.628   11.966   63.798   14.613   50.109   15.785 13.68845 21.51024 
1 1 1  -15    3   89 o   86.910   8.4301   55.515   9.9162   52.727   14.053   58.280   13.994   84.538   12.267   89.283   11.566 -4.745476 16.86013 
1 1 1  -15    3   90 o   43.624   15.550   14.101   11.594   14.101   11.594   0.0000   0.0000   43.624   15.550  ?   ?       ?      ? 
1 1 1  -15    3   91 o  141.145   10.328  144.707   19.754  144.707   19.754   0.0000   0.0000  141.145   10.328  ?   ?       ?      ? 
1 1 1  -15    4    1 o  250.260   5.3369  434.013   17.302  390.403   28.260  460.162   21.882  239.960   8.6905  260.560   6.1973 -20.59923 10.67387 
1 1 1  -15    4    2 o  730.721   10.434  3584.45   96.852  3739.68  171.362  3511.59  117.402  741.987   17.043  719.455   12.042 22.53278 20.86752 
1 1 1  -15    4    3 f  887.720   12.399  5374.85  141.317  5420.39  174.348  5287.63  241.289  893.609   14.398  881.831   20.192 11.77826 24.79891 
1 1 1  -15    4    4 o  586.114   8.6772  2325.33   65.154  2314.28   79.928  2347.20  112.483  584.169   10.097  588.059   14.115 -3.890137 17.35447 
1 1 1  -15    4    5 o  775.755   10.975  4043.90  108.196  3966.89  131.235  4207.33  191.179  764.616   12.666  786.894   17.928 -22.27753 21.95094 
1 1 1  -15    4    6 o  1024.68   16.383  7147.19  227.484  7056.49  320.097  7239.74  323.350  1018.11   23.201  1031.26   23.138 -13.14795 32.76648 
1 1 1  -15    4    7 o  810.460   11.441  4480.29  119.110  4522.86  147.078  4399.19  203.035  816.380   13.294  804.540   18.623 11.84009 22.88109 
1 1 1  -15    4    8 o  801.829   10.685  4383.77  101.316  4403.64  117.596  4326.56  199.580  805.764   10.770  797.893   18.458 7.870483 21.37029 
1 1 1  -15    4    9 o  1013.59   13.222  7036.02  158.658  7093.74  184.448  6871.81  311.093  1022.41   13.313  1004.77   22.848 17.63800 26.44328 
1 1 1  -15    4   10 o  786.627   10.493  4175.27   96.868  4150.02  111.702  4251.84  194.534  782.236   10.538  791.018   18.148 -8.781921 20.98540 
1 1 1  -15    4   11 o  585.983   7.1592  2328.69   56.850  2331.18   80.529  2326.21   80.267  586.296   10.136  585.671   10.113 0.6246338 14.31837 
1 1 1  -15    4   12 o  890.184   12.511  5388.57  142.226  5398.03  174.215  5369.67  246.275  891.763   14.416  888.606   20.452 3.156921 25.02195 
1 1 1  -15    4   13 o  754.099   10.817  3849.84  103.855  3828.80  126.604  3893.11  181.592  751.216   12.437  756.981   17.702 -5.764587 21.63419 
1 1 1  -15    4   14 o  253.471   4.4628  434.971   15.320  455.788   22.069  415.612   21.283  259.317   6.2802  247.624   6.3424 11.69333 8.925624 
1 1 1  -15    4   15 o  736.175   8.6298  3675.73   86.079  3737.88  123.044  3616.17  120.465  742.265   12.233  730.084   12.176 12.18085 17.25954 
1 1 1  -15    4   16 o  746.910   8.7379  3784.87   88.442  3779.89  125.017  3789.86  125.135  746.418   12.360  747.401   12.355 -0.9833984 17.47579 
1 1 1  -15    4   17 o  378.559   5.3341  971.342   27.362  983.283   38.966  959.725   38.432  380.854   7.5499  376.264   7.5373 4.589630 10.66828 
1 1 1  -15    4   18 o  682.581   8.1071  3160.39   74.990  3165.26  106.212  3155.55  105.892  683.105   11.474  682.057   11.457 1.047974 16.21424 
1 1 1  -15    4   19 f  1193.27   13.343  9675.55  215.755  9581.12  303.149  9772.48  307.138  1187.37   18.840  1199.16   18.901 -11.78772 26.68678 
1 1 1  -15    4   20 o  1127.82   12.667  8640.09  193.572  8750.56  276.165  8533.40  271.400  1134.89   17.957  1120.74   17.870 14.15540 25.33346 
1 1 1  -15    4   21 o  685.281   9.9610  3205.00   87.664  3131.01  149.330  3243.91  108.286  679.027   16.228  691.536   11.555 -12.50916 19.92195 
1 1 1  -15    4   22 o  1341.47   18.302 12300.45  314.526 12142.44  539.735 12381.71  387.035  1333.68   29.864  1349.26   21.168 -15.57922 36.60480 
1 1 1  -15    4   23 o  1296.36   14.453 11425.42  253.887 11551.04  362.035 11303.86  356.139  1303.35   20.498  1289.36   20.383 13.99487 28.90700 
1 1 1  -15    4   24 o  990.110   13.792  6659.42  174.194  6677.44  302.740  6650.50  212.983  990.569   22.553  989.651   15.881 0.9179077 27.58336 
1 1 1  -15    4   25 o  476.260   6.2073  1537.10   40.051  1497.07   55.903  1579.31   57.410  469.893   8.7791  482.628   8.7779 -12.73541 12.41468 
1 1 1  -15    4   26 f  667.130   7.9850  3018.92   72.187  3000.01  101.772  3038.06  102.408  665.027   11.293  669.232   11.292 -4.205078 15.97000 
1 1 1  -15    4   27 o  425.923   5.7852  1229.91   33.391  1221.93   47.125  1237.95   47.320  424.536   8.1913  427.310   8.1717 -2.774139 11.57040 
1 1 1  -15    4   28 o  509.937   6.5193  1763.15   45.048  1742.76   63.358  1784.01   64.064  506.955   9.2225  512.919   9.2169 -5.964539 13.03858 
1 1 1  -15    4   29 o  345.986   5.1778  811.522   24.276  807.517   34.345  815.521   34.319  345.133   7.3433  346.840   7.3017 -1.707275 10.35562 
1 1 1  -15    4   30 o  469.216   7.6202  1485.56   45.401  1470.99   55.145  1516.21   79.987  465.759   8.7370  472.674   12.487 -6.914734 15.24043 
1 1 1  -15    4   31 o  484.430   9.0178  1592.46   59.192  1570.17   82.957  1615.59   84.484  480.978   12.728  487.883   12.778 -6.904724 18.03555 
1 1 1  -15    4   32 o  293.029   7.0707  582.468   28.076  589.095   39.681  575.825   39.729  294.700   9.9363  291.358   10.062 3.342224 14.14141 
1 1 1  -15    4   33 o  612.591   9.2481  2556.40   72.365  2573.97   88.773  2521.60  124.935  615.945   10.636  609.237   15.133 6.707092 18.49627 
1 1 1  -15    4   34 o  550.255   6.9233  2053.62   51.621  2026.16   72.471  2081.90   73.546  546.522   9.7853  553.987   9.7966 -7.465576 13.84654 
1 1 1  -15    4   35 o  794.494   9.2752  4286.29   99.860  4265.44  140.808  4307.39  141.643  792.551   13.110  796.437   13.124 -3.886047 18.55047 
1 1 1  -15    4   36 o  820.596   9.5411  4573.09  106.090  4629.75  151.226  4518.18  148.869  825.597   13.517  815.596   13.469 10.00153 19.08216 
1 1 1  -15    4   37 o  431.726   5.9169  1264.06   34.615  1256.53   48.692  1271.76   49.219  430.427   8.3478  433.025   8.3876 -2.597107 11.83376 
1 1 1  -15    4   38 o  549.344   8.4260  2053.90   59.441  2064.52   73.288  2033.50  101.615  551.606   9.8044  547.081   13.706 4.524231 16.85208 
1 1 1  -15    4   39 o  399.088   6.8061  1069.38   34.807  1046.68   42.546  1115.33   60.526  392.840   7.9922  405.336   11.019 -12.49643 13.61223 
1 1 1  -15    4   40 o  318.261   5.0788  686.827   21.903  694.224   31.167  679.610   30.788  319.954   7.1883  316.569   7.1767 3.385071 10.15766 
1 1 1  -15    4   41 o  445.186   7.4403  1354.26   42.307  1319.13   72.812  1372.17   51.982  440.648   12.194  449.724   8.5295 -9.075806 14.88066 
1 1 1  -15    4   42 o  536.305   6.8268  1952.17   49.612  1968.48   70.593  1936.25   69.740  538.516   9.6734  534.094   9.6356 4.422668 13.65359 
1 1 1  -15    4   43 o  799.236   9.3585  4343.84  101.358  4361.28  143.786  4326.62  142.902  800.827   13.249  797.645   13.220 3.182434 18.71696 
1 1 1  -15    4   44 o  839.265   9.7698  4793.01  111.114  4807.48  157.450  4778.66  156.829  840.525   13.823  838.005   13.810 2.519775 19.53967 
1 1 1  -15    4   45 o  611.738   9.2157  2521.09   71.568  2617.40  126.617  2475.87   86.757  619.814   15.075  603.662   10.605 16.15149 18.43149 
1 1 1  -15    4   46 o  253.322   5.8727  433.211   19.039  442.841   33.036  428.422   23.297  255.345   9.5473  251.300   6.8412 4.044830 11.74533 
1 1 1  -15    4   47 f  307.615   6.2542  629.293   24.251  607.606   29.102  678.574   43.870  299.238   7.1767  315.991   10.245 -16.75317 12.50850 
1 1 1  -15    4   48 f  264.201   4.8298  473.345   17.285  454.596   24.143  493.059   24.757  258.834   6.8831  269.568   6.7773 -10.73343 9.659619 
1 1 1  -15    4   49 o  442.912   6.0457  1331.97   36.281  1304.54   50.803  1360.52   51.831  438.259   8.5541  447.564   8.5458 -9.304596 12.09144 
1 1 1  -15    4   50 o  285.635   4.9522  553.709   19.168  561.683   27.249  545.900   26.967  287.671   6.9900  283.599   7.0170 4.072479 9.904495 
1 1 1  -15    4   51 o  271.285   4.8850  499.522   17.958  495.064   25.277  504.067   25.518  270.063   6.9067  272.508   6.9101 -2.444489 9.769979 
1 1 1  -15    4   52 o  361.909   5.4474  889.570   26.716  888.207   37.792  890.932   37.773  361.631   7.7117  362.187   7.6959 -0.5561523 10.89486 
1 1 1  -15    4   53 o  246.080   4.7973  411.107   15.997  409.986   22.665  412.220   22.583  245.744   6.8059  246.416   6.7628 -0.6717529 9.594602 
1 1 1  -15    4   54 o  430.047   5.9726  1256.45   34.798  1221.86   48.598  1292.85   49.848  423.975   8.4585  436.120   8.4345 -12.14551 11.94521 
1 1 1  -15    4   55 o  283.403   4.9768  545.483   19.114  546.051   27.053  544.916   27.008  283.551   7.0405  283.256   7.0361 0.2945251 9.953689 
1 1 1  -15    4   56 o  236.419   4.7934  379.502   15.355  388.689   21.890  370.603   21.544  239.238   6.7519  233.601   6.8056 5.636490 9.586725 
1 1 1  -15    4   57 o  335.356   7.4111  766.550   33.675  753.400   47.716  779.600   47.532  332.470   10.591  338.242   10.370 -5.772644 14.82224 
1 1 1  -15    4   58 o  264.481   5.9593  480.245   20.429  491.538   25.583  460.371   33.938  268.972   7.0187  259.990   9.6327 8.981354 11.91851 
1 1 1  -15    4   59 o  201.411   4.7742  275.606   13.030  275.116   18.523  276.086   18.333  201.231   6.7925  201.592   6.7107 -0.3608551 9.548380 
1 1 1  -15    4   60 o  223.299   4.7985  338.689   14.513  324.192   20.330  353.755   20.726  218.420   6.8684  228.178   6.7027 -9.757690 9.596945 
1 1 1  -15    4   61 o  312.916   5.1983  665.760   22.043  658.767   31.107  672.812   31.240  311.262   7.3747  314.569   7.3283 -3.307617 10.39670 
1 1 1  -15    4   62 o  183.854   6.3235  239.430   14.498  256.190   17.737  205.688   25.167  194.149   6.7414  173.559   10.700 20.59068 12.64693 
1 1 1  -15    4   63 o  163.340   7.2248  181.838   15.980  174.405   22.092  189.995   23.142  159.846   10.199  166.833   10.236 -6.987198 14.44970 
1 1 1  -15    4   64 o  327.374   6.5915  736.206   27.481  714.994   47.508  746.874   33.690  323.434   10.839  331.314   7.5038 -7.879852 13.18309 
1 1 1  -15    4   65 o  212.071   4.8752  305.797   14.009  311.807   19.959  299.960   19.668  214.127   6.8784  210.016   6.9106 4.110901 9.750375 
1 1 1  -15    4   66 o  229.508   4.9496  358.200   15.391  364.589   22.027  352.103   21.515  231.505   7.0211  227.512   6.9784 3.993240 9.899196 
1 1 1  -15    4   67 o  300.419   5.2182  614.248   21.241  599.581   29.874  629.244   30.207  296.783   7.4279  304.054   7.3311 -7.270935 10.43643 
1 1 1  -15    4   68 o  264.138   5.0547  474.292   18.081  498.373   26.052  451.914   25.113  270.606   7.1043  257.670   7.1922 12.93576 10.10930 
1 1 1  -15    4   69 o  134.772   5.3199  123.681   9.7129  128.090   13.854  119.419   13.621  137.140   7.4548  132.404   7.5914 4.735626 10.63970 
1 1 1  -15    4   70 o  170.722   4.9856  198.411   11.531  204.889   16.429  192.120   16.190  173.476   6.9884  167.969   7.1126 5.507294 9.971295 
1 1 1  -15    4   71 o  241.734   5.0138  398.009   16.419  384.045   23.091  412.290   23.351  237.430   7.1767  246.038   7.0035 -8.607941 10.02763 
1 1 1  -15    4   72 o  242.452   6.1884  409.248   19.266  377.330   32.275  426.916   24.013  234.608   10.152  250.296   7.0797 -15.68884 12.37671 
1 1 1  -15    4   73 o  221.933   6.0543  342.308   17.360  356.492   21.775  317.568   28.757  228.674   7.0267  215.192   9.8613 13.48193 12.10863 
1 1 1  -15    4   74 o   92.239   9.4599   61.266   11.199   51.022   16.926   69.241   14.935   84.216   15.399  100.262   10.993 -16.04598 18.91987 
1 1 1  -15    4   75 o  157.409   6.4617  169.611   12.901  171.158   22.684  168.871   15.685  157.593   10.622  157.226   7.3618 0.3675690 12.92349 
1 1 1  -15    4   76 o  168.588   5.1123  194.275   11.679  192.178   16.516  196.372   16.517  167.670   7.2689  169.506   7.1908 -1.835434 10.22466 
1 1 1  -15    4   77 o  130.839   6.7565  115.322   11.229  110.621   13.559  125.582   20.034  127.042   7.8759  134.636   10.981 -7.594231 13.51301 
1 1 1  -15    4   78 o   71.880   8.0918   37.097   7.4324   49.066   10.641   25.695   10.386   84.343   9.3100   59.417   13.237 24.92616 16.18352 
1 1 1  -15    4   79 o  190.317   6.2260  249.499   15.001  250.633   26.425  248.959   18.221  190.038   10.261  190.596   7.0547 -0.5574799 12.45209 
1 1 1  -15    4   80 o  128.660   5.4354  113.847   9.4279   99.142   13.116  129.571   13.562  119.966   8.0676  137.354   7.2861 -17.38796 10.87074 
1 1 1  -15    4   81 o  149.036   5.1507  152.785   10.401  156.251   14.742  149.350   14.676  150.740   7.2171  147.333   7.3507 3.406815 10.30138 
1 1 1  -15    4   82 o   89.921   6.2118   56.109   7.5679   57.424   10.834   54.856   10.576   90.948   8.7903   88.894   8.7794 2.053978 12.42365 
1 1 1  -15    4   83 o   74.456   7.4013   39.819   7.0047   27.487   9.6623   53.478   10.169   61.198   12.080   87.713   8.5555 -26.51567 14.80266 
1 1 1  -15    4   84 o   83.675   7.7835   48.883   8.4161   52.431   14.419   47.050   10.365   85.407   12.458   81.943   9.3341 3.463829 15.56693 
1 1 1  -15    4   85 o  116.750   6.5922   92.716   9.9544  106.390   17.269   85.912   12.182  122.463   10.406  111.036   8.0959 11.42745 13.18445 
1 1 1  -15    4   86 o   34.596   9.4017   5.3990   6.9110  -6.0255   11.509   11.842   8.6427   28.638   13.123   40.555   13.467 -11.91655 18.80350 
1 1 1  -15    4   87 o   70.987   9.8186   39.180   9.6214   68.049   14.071   13.831   13.185   97.339   10.668   44.634   16.487 52.70551 19.63721 
1 1 1  -15    4   88 o  128.031   7.4868  118.135   12.911  135.248   18.596  102.209   17.939  137.406   9.9869  118.656   11.157 18.74992 14.97350 
1 1 1  -15    4   89 o  105.290   11.358   81.106   16.205   81.106   16.205   0.0000   0.0000  105.290   11.358  ?   ?       ?      ? 
1 1 1  -15    4   90 o   25.837   12.120  -8.5171   10.727  -8.5171   10.727   0.0000   0.0000   25.837   12.120  ?   ?       ?      ? 
1 1 1  -15    5    1 o  853.470   9.8068  4940.69  113.389  4828.63  158.039  5059.57  162.778  843.506   13.826  863.433   13.912 -19.92755 19.61362 
1 1 1  -15    5    2 o  877.611   10.056  5227.47  119.599  5229.02  169.256  5225.93  169.020  877.740   14.230  877.482   14.214 0.2575073 20.11276 
1 1 1  -15    5    3 f  890.196   10.180  5378.69  122.806  5367.71  173.471  5389.73  173.878  889.285   14.395  891.107   14.399 -1.821533 20.36026 
1 1 1  -15    5    4 o  339.818   5.6964  794.455   23.371  808.932   27.540  757.200   44.181  345.475   5.8826  334.161   9.7565 11.31390 11.39276 
1 1 1  -15    5    5 o  398.998   6.2659  1099.36   30.132  1124.20   35.513  1035.49   56.941  407.259   6.4347  390.738   10.754 16.52109 12.53180 
1 1 1  -15    5    6 o  927.616   12.937  5883.20  154.613  5967.18  191.770  5727.22  261.351  937.549   15.094  917.684   21.016 19.86530 25.87467 
1 1 1  -15    5    7 o  704.729   9.5198  3318.95   78.406  3270.26   90.035  3471.73  159.498  694.462   9.5671  714.996   16.461 -20.53455 19.03970 
1 1 1  -15    5    8 o  671.446   9.1704  3075.17   73.021  3092.58   84.903  3025.68  143.123  675.348   9.2771  667.544   15.822 7.804199 18.34081 
1 1 1  -15    5    9 o  956.564   12.501  6161.36  139.768  6108.66  160.756  6324.59  282.912  948.882   12.502  964.246   21.651 -15.36462 25.00134 
1 1 1  -15    5   10 o  413.599   6.7398  1148.24   35.716  1124.82   43.658  1195.65   62.105  407.334   7.9091  419.863   10.915 -12.52951 13.47956 
1 1 1  -15    5   11 o  348.909   5.7828  825.854   24.198  826.470   28.273  824.169   46.783  349.198   5.9747  348.621   9.9027 0.5774231 11.56551 
1 1 1  -15    5   12 o  884.342   11.715  5305.09  140.387  5305.09  140.387   0.0000   0.0000  884.342   11.715  ?   ?       ?      ? 
1 1 1  -15    5   13 o  895.625   10.252  5439.42  124.368  5281.23  172.527  5610.54  179.444  882.089   14.433  909.160   14.565 -27.07080 20.50490 
1 1 1  -15    5   14 o  853.753   12.008  4967.27  131.460  4899.05  225.168  5002.54  161.921  848.954   19.572  858.552   13.917 -9.598450 24.01585 
1 1 1  -15    5   15 o  668.809   9.7522  3072.62   84.195  2911.07  140.703  3162.74  105.086  654.776   15.857  682.842   11.356 -28.06598 19.50434 
1 1 1  -15    5   16 o  594.546   8.8478  2399.15   67.383  2395.49  116.041  2401.02   82.768  594.076   14.414  595.017   10.265 -0.9410400 17.69555 
1 1 1  -15    5   17 o  724.185   10.408  3561.07   96.461  3556.55  166.420  3563.36  118.373  723.622   16.971  724.749   12.053 -1.127380 20.81552 
1 1 1  -15    5   18 o  357.003   5.2173  862.302   25.216  904.581   36.646  824.284   34.750  365.297   7.4028  348.708   7.3538 16.58896 10.43459 
1 1 1  -15    5   19 o  902.638   10.335  5528.17  126.382  5644.22  181.144  5418.10  176.413  911.859   14.659  893.417   14.571 18.44189 20.66913 
1 1 1  -15    5   20 o  911.898   10.425  5641.09  128.776  5499.26  179.220  5792.48  185.158  900.061   14.694  923.734   14.792 -23.67310 20.84933 
1 1 1  -15    5   21 o  660.589   7.9069  2959.15   70.772  2905.74   99.107  3014.71  101.095  654.510   11.174  666.668   11.190 -12.15814 15.81383 
1 1 1  -15    5   22 o  459.540   6.0501  1431.39   37.671  1400.86   52.790  1463.07   53.774  454.547   8.5702  464.532   8.5422 -9.984863 12.10029 
1 1 1  -15    5   23 o  649.297   9.6206  2880.36   79.946  2802.78  137.005  2920.41   98.443  642.442   15.737  656.153   11.071 -13.71149 19.24125 
1 1 1  -15    5   24 o  640.994   9.5318  2798.77   78.056  2758.01  134.686  2819.38   95.780  637.286   15.596  644.703   10.963 -7.417480 19.06352 
1 1 1  -15    5   25 o  683.206   8.1471  3166.65   75.429  3153.03  106.525  3180.34  106.820  681.732   11.531  684.680   11.513 -2.947632 16.29423 
1 1 1  -15    5   26 o  684.143   8.1549  3175.16   75.600  3138.10  106.267  3213.14  107.575  680.102   11.530  688.185   11.535 -8.083252 16.30975 
1 1 1  -15    5   27 o  711.990   8.4311  3439.66   81.346  3417.66  114.698  3461.93  115.386  709.699   11.926  714.281   11.921 -4.582153 16.86222 
1 1 1  -15    5   28 o  837.660   9.6887  4763.34  109.975  4804.08  156.461  4723.55  154.613  841.197   13.725  834.123   13.678 7.074280 19.37740 
1 1 1  -15    5   29 o  513.785   8.1628  1816.15   53.797  1872.08   66.708  1712.11   90.982  525.385   9.3695  502.186   13.369 23.19907 16.32567 
1 1 1  -15    5   30 o  523.106   8.2341  1863.59   54.924  1876.73   67.265  1837.30   95.141  526.022   9.4364  520.190   13.496 5.831604 16.46815 
1 1 1  -15    5   31 o  554.562   6.9448  2086.18   52.190  2089.40   73.885  2082.96   73.731  554.990   9.8240  554.133   9.8187 0.8560791 13.88951 
1 1 1  -15    5   32 o  297.434   4.9069  599.487   19.773  616.596   28.316  583.205   27.623  301.574   6.9287  293.294   6.9500 8.279846 9.813724 
1 1 1  -15    5   33 o  518.181   6.6253  1821.41   46.523  1811.89   65.623  1831.04   65.965  516.820   9.3698  519.543   9.3694 -2.723145 13.25065 
1 1 1  -15    5   34 o  505.552   6.5205  1733.26   44.665  1763.63   63.832  1704.13   62.520  509.888   9.2381  501.216   9.2047 8.672394 13.04105 
1 1 1  -15    5   35 o  399.656   6.7989  1068.99   34.765  1040.45   42.374  1127.75   60.804  391.688   7.9832  407.625   11.008 -15.93698 13.59770 
1 1 1  -15    5   36 o  679.159   11.517  3137.64  105.990  3129.81  150.497  3145.35  149.296  678.304   16.373  680.014   16.201 -1.709839 23.03356 
1 1 1  -15    5   37 o  531.074   9.7024  1915.45   69.800  1986.82  100.042  1847.75   97.434  540.716   13.653  521.433   13.789 19.28217 19.40471 
1 1 1  -15    5   38 o  329.732   6.3868  726.703   26.651  707.830   32.152  768.147   47.644  323.067   7.3440  336.396   10.451 -13.32870 12.77370 
1 1 1  -15    5   39 o  783.541   9.1960  4171.87   97.637  4123.11  137.143  4221.99  139.035  778.902   12.993  788.181   13.017 -9.279663 18.39191 
1 1 1  -15    5   40 o  509.380   13.273  1764.01   91.619  1764.01   91.619   0.0000   0.0000  509.380   13.273  ?   ?       ?      ? 
1 1 1  -15    5   41 o  614.539   7.5770  2564.40   63.093  2522.34   88.475  2607.92   89.999  609.413   10.713  619.664   10.718 -10.25061 15.15399 
1 1 1  -15    5   42 f  543.245   6.8976  2003.79   50.778  2012.16   72.055  1995.53   71.568  544.371   9.7675  542.119   9.7419 2.251770 13.79525 
1 1 1  -15    5   43 o  337.490   6.4596  784.095   27.966  738.952   47.284  808.381   34.682  329.800   10.580  345.180   7.4143 -15.38031 12.91923 
1 1 1  -15    5   44 f  423.772   7.2180  1232.09   39.288  1181.68   66.568  1259.03   48.668  416.866   11.784  430.678   8.3389 -13.81165 14.43592 
1 1 1  -15    5   45 o  269.745   4.8728  493.590   17.810  498.992   25.398  488.363   24.983  271.195   6.9109  268.294   6.8714 2.901917 9.745564 
1 1 1  -15    5   46 o  271.061   6.1390  502.906   21.062  510.240   25.667  487.789   36.852  274.222   6.9071  267.900   10.151 6.321960 12.27792 
1 1 1  -15    5   47 o  557.612   7.0510  2112.76   53.271  2071.39   74.518  2155.99   76.183  552.034   9.9612  563.191   9.9821 -11.15637 14.10204 
1 1 1  -15    5   48 o  373.991   5.5230  949.688   27.991  947.771   39.588  951.604   39.582  373.612   7.8192  374.369   7.8021 -0.7565918 11.04597 
1 1 1  -15    5   49 o  303.189   5.0605  623.782   20.787  605.698   29.114  642.587   29.689  298.705   7.1924  307.672   7.1206 -8.967224 10.12095 
1 1 1  -15    5   50 o  363.840   5.4594  898.998   26.917  887.624   37.949  910.514   38.184  361.521   7.7460  366.158   7.6954 -4.637299 10.91881 
1 1 1  -15    5   51 o  197.101   4.7008  263.695   12.555  264.307   17.889  263.101   17.624  197.324   6.6898  196.878   6.6058 0.4461365 9.401600 
1 1 1  -15    5   52 o  327.396   5.2298  727.760   23.198  707.879   32.505  748.398   33.118  322.837   7.4298  331.956   7.3620 -9.118286 10.45951 
1 1 1  -15    5   53 o  493.106   6.5118  1652.80   43.498  1702.16   62.494  1606.42   60.582  500.241   9.2189  485.972   9.1991 14.26831 13.02353 
1 1 1  -15    5   54 o  274.780   4.9648  512.729   18.484  499.924   25.976  525.865   26.309  271.301   7.0653  278.259   6.9769 -6.958099 9.929559 
1 1 1  -15    5   55 o  279.870   5.0005  532.034   18.964  525.699   26.693  538.490   26.947  278.187   7.0807  281.553   7.0627 -3.365906 10.00091 
1 1 1  -15    5   56 o  256.049   6.8442  446.612   23.680  403.397   33.140  491.692   33.848  243.340   10.050  268.759   9.2937 -25.41945 13.68842 
1 1 1  -15    5   57 o  238.132   5.7398  375.610   17.655  354.256   21.613  418.432   30.607  228.341   6.9848  247.924   9.1101 -19.58301 11.47957 
1 1 1  -15    5   58 o  278.008   5.0076  525.103   18.863  535.483   26.928  515.103   26.431  280.705   7.0791  275.310   7.0845 5.394318 10.01515 
1 1 1  -15    5   59 o  253.808   4.9134  437.087   16.883  464.602   24.393  411.785   23.391  261.470   6.8842  246.146   7.0124 15.32399 9.826824 
1 1 1  -15    5   60 o  208.823   4.8143  296.361   13.624  298.073   19.300  294.662   19.233  209.425   6.8007  208.222   6.8161 1.202988 9.628578 
1 1 1  -15    5   61 o  165.955   6.2105  187.682   12.939  187.823   15.604  187.370   23.148  166.221   6.9275  165.690   10.310 0.5306091 12.42093 
1 1 1  -15    5   62 o  102.092   8.4459   71.237   11.662   69.732   15.932   72.974   17.117  100.958   11.645  103.226   12.236 -2.268288 16.89176 
1 1 1  -15    5   63 o   93.139   7.4276   58.217   8.7443   62.167   15.693   56.438   10.531   95.261   12.157   91.018   8.5377 4.242432 14.85520 
1 1 1  -15    5   64 o  103.087   5.7858   72.511   8.0667   67.984   11.488   76.915   11.330   99.887   8.4868  106.288   7.8661 -6.401108 11.57158 
1 1 1  -15    5   65 o  126.837   5.5585  109.491   9.5421  117.242   13.669  102.122   13.327  131.227   7.6865  122.447   8.0314 8.780319 11.11691 
1 1 1  -15    5   66 o   82.808   6.8334   46.820   7.6673   47.780   10.930   45.890   10.759   83.645   9.6425   81.972   9.6852 1.673424 13.66678 
1 1 1  -15    5   67 o  196.042   4.9425  261.321   13.121  276.027   18.823  247.424   18.298  201.413   6.8964  190.670   7.0819 10.74284 9.885002 
1 1 1  -15    5   68 o   75.345   7.3090   38.845   7.4622   39.077   10.620   38.618   10.488   75.565   10.371   75.125   10.302 0.4403000 14.61793 
1 1 1  -15    5   69 o   75.988   8.5434   40.366   8.3691   40.749   10.755   39.780   13.324   77.147   10.288   74.828   13.643 2.318115 17.08688 
1 1 1  -15    5   70 o  109.675   8.3400   84.523   12.104   71.062   18.209   95.179   16.201  101.471   13.242  117.880   10.142 -16.40875 16.67994 
1 1 1  -15    5   71 o  252.216   6.2250  426.702   19.864  457.547   35.616  412.776   23.932  258.336   10.174  246.096   7.1760 12.23956 12.44995 
1 1 1  -15    5   72 o  118.448   5.6367   95.814   9.0475   96.050   12.826   95.579   12.765  118.592   7.9807  118.303   7.9623 0.2892380 11.27337 
1 1 1  -15    5   73 o  206.342   5.8924  288.133   15.753  280.906   19.485  301.771   26.767  202.916   7.0861  209.769   9.4163 -6.852936 11.78472 
1 1 1  -15    5   74 o  150.333   5.2221  154.405   10.638  156.427   15.026  152.374   15.062  151.329   7.3271  149.337   7.4428 1.992477 10.44417 
1 1 1  -15    5   75 o   85.455   6.8596   50.604   7.7692   64.235   11.199   37.956   10.787   96.778   8.5390   74.133   10.738 22.64472 13.71929 
1 1 1  -15    5   76 o  200.305   6.1951  270.078   15.752  260.087   19.022  291.880   28.099  194.988   7.1989  205.623   10.084 -10.63510 12.39017 
1 1 1  -15    5   77 o  125.986   5.5428  108.870   9.4440  118.380   13.524   99.821   13.193  131.402   7.5952  120.570   8.0749 10.83140 11.08558 
1 1 1  -15    5   78 o  132.219   6.6791  121.370   11.197  119.374   19.554  122.344   13.658  130.930   11.021  133.508   7.5489 -2.577805 13.35830 
1 1 1  -15    5   79 o  147.945   6.6379  155.566   12.312  140.600   21.432  162.938   15.041  141.830   11.151  154.061   7.2045 -12.23035 13.27581 
1 1 1  -15    5   80 o  113.728   5.6220   89.277   8.6567   85.956   12.332   92.504   12.155  111.589   8.1549  115.867   7.7412 -4.278503 11.24410 
1 1 1  -15    5   81 o   85.623   6.5474   51.107   7.5013   61.774   10.821   41.238   10.408   94.428   8.4564   76.817   9.9982 17.61119 13.09483 
1 1 1  -15    5   82 o  101.585   5.9028   71.615   8.1217   68.632   11.418   74.670   11.555   99.406   8.4759  103.763   8.2178 -4.356735 11.80559 
1 1 1  -15    5   83 o  171.142   6.2899  208.813   13.750  190.601   23.143  218.748   17.093  164.326   10.393  177.959   7.0881 -13.63306 12.57985 
1 1 1  -15    5   84 o   89.900   7.7196   58.177   8.8759   55.441   15.053   59.635   10.990   87.495   12.696   92.306   8.7856 -4.811020 15.43912 
1 1 1  -15    5   85 o   84.320   7.7476   50.645   8.4662   51.780   14.240   50.024   10.529   84.389   12.452   84.252   9.2222 0.1370087 15.49530 
1 1 1  -15    5   86 o   95.441   7.4244   65.864   9.0647   63.145   15.381   67.310   11.220   93.012   12.203   97.870   8.4601 -4.858070 14.84871 
1 1 1  -15    5   87 o   81.031   8.8762   48.366   9.7313   52.216   14.050   44.815   13.491   84.254   12.305   77.807   12.796 6.447701 17.75233 
1 1 1  -15    5   88 o   78.635   13.008   46.220   13.861   46.220   13.861   0.0000   0.0000   78.635   13.008  ?   ?       ?      ? 
1 1 1  -15    5   89 o   34.974   14.752   4.0199   11.965   4.0199   11.965   0.0000   0.0000   34.974   14.752  ?   ?       ?      ? 
1 1 1  -15    5   90 o   28.158   12.799  -3.8189   10.667  -3.8189   10.667   0.0000   0.0000   28.158   12.799  ?   ?       ?      ? 
1 1 1  -15    6    1 o  753.450   8.8046  3847.52   89.846  3982.23  129.742  3723.39  124.542  766.105   12.497  740.796   12.406 25.30902 17.60930 
1 1 1  -15    6    2 o  583.791   7.1661  2305.89   56.625  2436.72   82.473  2189.22   77.885  599.419   10.153  568.164   10.116 31.25476 14.33225 
1 1 1  -15    6    3 o  807.731   9.3506  4427.26  102.349  4455.23  145.213  4399.64  144.279  810.267   13.225  805.196   13.223 5.071472 18.70128 
1 1 1  -15    6    4 o  475.838   8.6952  1535.17   56.069  1535.17   56.069   0.0000   0.0000  475.838   8.6952  ?   ?       ?      ? 
1 1 1  -15    6    5 o  369.840   6.4933  949.870   31.546  1039.98   41.146  821.366   49.136  391.673   7.7521  348.007   10.419 43.66592 12.98659 
1 1 1  -15    6    6 o  518.173   7.4988  1857.13   46.684  1901.17   54.934  1742.63   88.570  529.571   7.6548  506.775   12.897 22.79669 14.99761 
1 1 1  -15    6    7 o  446.255   6.6881  1347.39   35.518  1344.14   41.289  1356.62   69.656  445.306   6.8421  447.204   11.494 -1.897797 13.37624 
1 1 1  -15    6    8 o  465.191   6.8455  1420.84   37.251  1377.58   42.641  1560.21   76.544  450.808   6.9799  479.574   11.778 -28.76584 13.69097 
1 1 1  -15    6    9 o  536.567   7.6372  1929.90   48.274  1907.05   55.690  1998.93   96.816  530.387   7.7482  542.747   13.163 -12.36060 15.27449 
1 1 1  -15    6   10 o  384.558   6.0916  998.739   27.980  994.387   32.576  1010.98   54.635  383.025   6.2761  386.091   10.442 -3.066071 12.18329 
1 1 1  -15    6   11 o  488.560   7.2981  1618.04   48.318  1618.04   48.318   0.0000   0.0000  488.560   7.2981  ?   ?       ?      ? 
1 1 1  -15    6   12 o  813.161   10.891  4484.92  120.014  4484.92  120.014   0.0000   0.0000  813.161   10.891  ?   ?       ?      ? 
1 1 1  -15    6   13 o  615.544   8.5212  2528.72   61.405  2488.70   70.552  2653.74  124.696  605.857   8.5933  625.232   14.717 -19.37567 17.04241 
1 1 1  -15    6   14 o  765.213   10.253  3947.89   92.139  3921.11  106.265  4029.01  184.951  760.370   10.313  770.056   17.724 -9.685852 20.50562 
1 1 1  -15    6   15 o  676.290   11.391  3102.56  104.393  3102.56  104.393   0.0000   0.0000  676.290   11.391  ?   ?       ?      ? 
1 1 1  -15    6   16 o  498.607   6.3753  1685.72   43.076  1685.20   61.029  1686.24   60.810  498.529   9.0336  498.684   8.9985 -0.1548462 12.75063 
1 1 1  -15    6   17 o  607.629   7.3901  2504.12   60.851  2509.85   86.274  2498.45   85.840  608.319   10.466  606.938   10.437 1.380981 14.78025 
1 1 1  -15    6   18 o  559.196   6.9348  2120.62   52.550  2123.76   74.493  2117.51   74.143  559.607   9.8231  558.785   9.7913 0.8220215 13.86951 
1 1 1  -15    6   19 o  461.141   6.0583  1441.85   37.858  1440.34   53.624  1443.36   53.457  460.899   8.5856  461.384   8.5498 -0.4852905 12.11655 
1 1 1  -15    6   20 o  669.825   7.9980  3043.74   72.598  3038.04  102.639  3049.44  102.699  669.198   11.318  670.453   11.304 -1.255432 15.99598 
1 1 1  -15    6   21 o  583.596   7.1861  2309.49   56.824  2345.15   81.146  2275.17   79.599  588.014   10.184  579.178   10.142 8.836365 14.37216 
1 1 1  -15    6   22 o  284.466   9.8876  548.832   38.116  548.832   38.116   0.0000   0.0000  284.466   9.8876  ?   ?       ?      ? 
1 1 1  -15    6   23 o  212.561   5.6233  303.709   14.875  312.972   27.261  299.781   17.751  214.822   9.3644  210.300   6.2287 4.522522 11.24668 
1 1 1  -15    6   24 o  626.877   7.6042  2665.95   64.598  2664.98   91.424  2666.91   91.287  626.762   10.764  626.991   10.744 -0.2286377 15.20843 
1 1 1  -15    6   25 o  932.974   10.679  5904.43  134.918  6130.79  195.455  5698.41  186.468  950.019   15.182  915.929   15.023 34.08923 21.35860 
1 1 1  -15    6   26 o  1118.05   12.587  8500.38  190.706  8490.19  269.510  8510.61  269.887  1117.38   17.799  1118.72   17.802 -1.342285 25.17383 
1 1 1  -15    6   27 o  941.380   10.761  6019.32  137.255  5923.82  192.084  6118.95  196.196  933.759   15.180  949.001   15.256 -15.24194 21.52160 
1 1 1  -15    6   28 o  295.923   6.1452  583.486   22.817  567.120   27.312  621.305   41.518  289.222   6.9685  302.624   10.124 -13.40149 12.29033 
1 1 1  -15    6   29 o  858.453   12.207  5039.42  134.187  5096.71  165.240  4928.48  229.944  866.202   14.077  850.704   19.946 15.49811 24.41350 
1 1 1  -15    6   30 o  603.249   7.4147  2468.67   60.606  2426.62   84.854  2512.45   86.591  598.008   10.471  608.489   10.501 -10.48053 14.82945 
1 1 1  -15    6   31 o  165.299   4.5482  185.373   10.180  178.008   14.455  192.620   14.339  162.037   6.5831  168.561   6.2774 -6.523956 9.096345 
1 1 1  -15    6   32 o  477.864   7.6163  1560.39   46.947  1585.23   58.331  1514.72   79.104  483.422   8.9041  472.305   12.359 11.11670 15.23268 
1 1 1  -15    6   33 o  474.503   7.5614  1522.10   45.996  1509.68   56.421  1546.72   79.422  471.755   8.8256  477.252   12.280 -5.496948 15.12278 
1 1 1  -15    6   34 o  335.186   6.1690  744.534   26.503  710.435   32.233  815.693   46.563  323.671   7.3488  346.701   9.9107 -23.03070 12.33801 
1 1 1  -15    6   35 o  236.830   4.6592  380.254   14.950  382.781   21.393  377.842   20.901  237.597   6.6442  236.062   6.5337 1.534973 9.318464 
1 1 1  -15    6   36 o  246.506   4.7224  412.097   15.767  395.498   22.219  428.935   22.378  241.502   6.7892  251.510   6.5658 -10.00835 9.444768 
1 1 1  -15    6   37 o  482.788   6.3455  1581.16   41.508  1545.45   58.126  1618.32   59.294  477.226   8.9880  488.350   8.9597 -11.12375 12.69100 
1 1 1  -15    6   38 o  241.322   4.7202  394.917   15.436  397.736   21.941  392.154   21.719  242.174   6.6858  240.470   6.6651 1.704758 9.440456 
1 1 1  -15    6   39 o  184.081   5.7472  227.621   13.328  236.145   23.926  223.786   16.049  186.508   9.4666  181.653   6.5194 4.855103 11.49430 
1 1 1  -15    6   40 o  304.038   5.0317  626.572   20.723  646.805   29.801  607.626   28.837  308.787   7.1217  299.289   7.1100 9.497711 10.06333 
1 1 1  -15    6   41 o  369.092   7.7244  924.391   38.635   0.0000   0.0000  924.391   38.635  ?   ?   369.092   7.7244      ?      ? 
1 1 1  -15    6   42 o  259.190   9.8925  456.358   34.746   0.0000   0.0000  456.358   34.746  ?   ?   259.190   9.8925      ?      ? 
1 1 1  -15    6   43 o  201.145   5.8145  268.322   14.812  257.546   17.828  292.341   26.617  194.837   6.7522  207.453   9.4678 -12.61589 11.62892 
1 1 1  -15    6   44 o  236.591   4.7455  379.483   15.205  399.285   21.815  360.773   21.204  242.592   6.6357  230.589   6.7857 12.00299 9.490964 
1 1 1  -15    6   45 o  276.582   6.0894  513.935   21.306  504.178   25.737  535.185   37.981  272.569   6.9678  280.595   9.9886 -8.025604 12.17876 
1 1 1  -15    6   46 o  314.304   5.1240  670.110   21.815  643.390   30.451  698.280   31.266  307.868   7.2989  320.740   7.1935 -12.87231 10.24794 
1 1 1  -15    6   47 o  329.855   5.2163  738.065   23.307  764.102   33.522  713.700   32.427  335.483   7.3735  324.228   7.3804 11.25400 10.43257 
1 1 1  -15    6   48 o  205.321   4.6962  285.830   13.059  298.760   18.797  273.764   18.157  209.806   6.6112  200.835   6.6716 8.971649 9.392450 
1 1 1  -15    6   49 o  292.247   5.0138  579.869   19.856  582.101   28.210  577.677   27.952  292.803   7.1096  291.692   7.0715 1.111542 10.02757 
1 1 1  -15    6   50 o  305.790   5.1036  634.203   21.135  662.602   30.504  607.981   29.311  312.367   7.2062  299.214   7.2289 13.15381 10.20717 
1 1 1  -15    6   51 o  259.299   4.8886  456.352   17.173  441.261   24.026  472.115   24.555  254.915   6.9551  263.684   6.8718 -8.768402 9.777272 
1 1 1  -15    6   52 f  195.137   4.7282  258.554   12.503  259.337   17.733  257.781   17.632  195.430   6.6958  194.844   6.6777 0.5858307 9.456465 
1 1 1  -15    6   53 o  281.617   4.9957  538.379   19.056  515.605   26.614  562.335   27.297  275.504   7.1286  287.731   7.0007 -12.22696 9.991314 
1 1 1  -15    6   54 o  264.277   4.9423  474.353   17.696  459.942   24.845  489.192   25.210  260.199   7.0461  268.356   6.9324 -8.157654 9.884578 
1 1 1  -15    6   55 o  270.705   6.9491  499.654   25.468  479.332   36.251  519.459   35.787  265.226   10.086  276.183   9.5618 -10.95724 13.89814 
1 1 1  -15    6   56 o  250.971   4.9357  427.800   16.782  415.134   23.474  441.043   24.002  247.170   7.0081  254.772   6.9520 -7.602097 9.871394 
1 1 1  -15    6   57 o  219.270   4.8216  326.694   14.326  330.835   20.303  322.587   20.218  220.657   6.7898  217.883   6.8477 2.773361 9.643196 
1 1 1  -15    6   58 o  218.674   4.8210  324.815   14.282  313.879   19.975  336.251   20.427  214.907   6.8590  222.442   6.7766 -7.535095 9.641971 
1 1 1  -15    6   59 o  147.592   4.9643  148.098   9.9243  142.257   13.980  154.033   14.091  144.650   7.1320  150.534   6.9073 -5.883942 9.928599 
1 1 1  -15    6   60 o  213.874   6.1036  313.299   16.467  316.415   19.986  306.715   29.055  215.745   6.8361  212.002   10.114 3.743820 12.20722 
1 1 1  -15    6   61 o  203.078   7.0724  280.974   19.446  267.580   26.857  295.734   28.192  197.999   10.009  208.157   9.9944 -10.15857 14.14488 
1 1 1  -15    6   62 o  279.614   6.3067  545.344   22.525  494.143   37.962  573.163   27.983  268.943   10.416  290.286   7.1134 -21.34320 12.61337 
1 1 1  -15    6   63 o  128.709   5.3969  112.678   9.4084  115.418   13.571  110.144   13.055  130.209   7.6912  127.208   7.5730 3.000801 10.79375 
1 1 1  -15    6   64 o  141.758   5.3429  136.658   10.258  142.202   14.781  131.507   14.248  144.529   7.5470  138.987   7.5650 5.542572 10.68578 
1 1 1  -15    6   65 o  106.808   6.8706   75.825   9.7836   66.745   12.535   89.976   15.649   98.879   9.3551  114.737   10.065 -15.85807 13.74123 
1 1 1  -15    6   66 o  154.387   6.4330  165.335   12.628  154.873   21.681  170.706   15.535  150.422   10.636  158.353   7.2392 -7.931229 12.86596 
1 1 1  -15    6   67 o  153.008   5.1363  159.438   10.648  158.532   15.174  160.318   14.947  152.572   7.3390  153.445   7.1880 -0.8730164 10.27266 
1 1 1  -15    6   68 o  146.342   5.2619  145.351   10.387  166.248   15.171  126.909   14.252  156.235   7.1654  136.449   7.7076 19.78590 10.52376 
1 1 1  -15    6   69 f  169.694   7.1132  196.182   16.357   0.0000   0.0000  196.182   16.357  ?   ?   169.694   7.1132      ?      ? 
1 1 1  -15    6   70 o  144.670   6.3476  145.050   11.729  137.279   20.011  149.118   14.476  141.441   10.440  147.900   7.2229 -6.458984 12.69522 
1 1 1  -15    6   71 o   77.930   7.1014   41.673   7.4986   41.996   10.700   41.362   10.512   78.221   10.094   77.639   9.9909 0.5818558 14.20273 
1 1 1  -15    6   72 o  101.977   6.9655   70.167   9.3806   66.152   11.851   76.905   15.351   98.265   8.8995  105.690   10.718 -7.424957 13.93102 
1 1 1  -15    6   73 o   78.382   8.7874   45.201   8.5638   50.706   10.913   36.377   13.817   85.926   9.3717   70.838   14.868 15.08789 17.57481 
1 1 1  -15    6   74 o   96.759   6.2849   64.153   8.2289   59.590   11.371   69.169   11.923   93.137   9.0096  100.381   8.7650 -7.244217 12.56975 
1 1 1  -15    6   75 o  165.044   6.4041  185.876   13.435  182.998   16.326  191.916   23.650  163.506   7.3680  166.582   10.477 -3.075821 12.80823 
1 1 1  -15    6   76 o  163.846   5.1991  183.970   11.541  183.048   16.483  184.857   16.164  163.420   7.4431  164.271   7.2609 -0.8512115 10.39814 
1 1 1  -15    6   77 o  164.330   5.2538  186.073   11.576  153.629   16.204  219.890   16.543  149.474   7.9995  179.186   6.8129 -29.71220 10.50750 
1 1 1  -15    6   78 o  134.727   7.0171  131.550   11.658  111.919   20.499  140.934   14.173  126.212   11.985  143.243   7.3013 -17.03157 14.03420 
1 1 1  -15    6   79 o  117.878   5.6117   95.955   8.9532   92.466   12.817   99.279   12.512  115.720   8.1729  120.036   7.6921 -4.315781 11.22342 
1 1 1  -15    6   80 f   69.916   7.3816   34.387   6.9656   31.598   9.9840   37.031   9.7229   67.017   10.994   72.815   9.8536 -5.797966 14.76319 
1 1 1  -15    6   81 o  141.617   5.2196  137.883   9.9823  155.017   14.610  122.881   13.671  149.900   7.1923  133.334   7.5661 16.56592 10.43914 
1 1 1  -15    6   82 o  122.661   6.5661  101.742   10.294  116.389   18.305   94.968   12.449  128.327   10.526  116.995   7.8520 11.33186 13.13222 
1 1 1  -15    6   83 o   91.472   7.9340   62.622   8.9730   51.634   15.455   68.208   11.021   84.037   13.571   98.908   8.2223 -14.87089 15.86791 
1 1 1  -15    6   84 o   43.880   8.6091   14.162   6.9799  -7.0782   11.640   26.087   8.7218   28.289   13.048   59.471   11.234 -31.18219 17.21819 
1 1 1  -15    6   85 o   30.780   9.2152   1.8498   6.6726  -3.1554   11.114   4.6710   8.3439   29.599   13.296   31.961   12.763 -2.362553 18.43038 
1 1 1  -15    6   86 f   83.676   8.8312   51.554   10.003   55.017   14.413   48.336   13.893   86.486   12.298   80.865   12.678 5.621078 17.66245 
1 1 1  -15    6   87 o   45.293   15.578   15.588   11.566   15.588   11.566   0.0000   0.0000   45.293   15.578  ?   ?       ?      ? 
1 1 1  -15    6   88 o   88.619   12.299   58.448   14.770   58.448   14.770   0.0000   0.0000   88.619   12.299  ?   ?       ?      ? 
1 1 1  -15    6   89 o   64.241   15.406   33.552   13.239   33.552   13.239   0.0000   0.0000   64.241   15.406  ?   ?       ?      ? 
1 1 1  -15    6   90 o   60.866   15.815   30.690   13.163   30.690   13.163   0.0000   0.0000   60.866   15.815  ?   ?       ?      ? 
1 1 1  -15    7    1 o  663.886   7.9232  2986.62   71.238  3099.91  102.925  2882.45   98.698  675.954   11.236  651.818   11.174 24.13617 15.84639 
1 1 1  -15    7    2 o  545.093   6.7999  2013.61   50.210  1956.96   69.864  2074.13   72.210  537.170   9.5975  553.015   9.6356 -15.84558 13.59988 
1 1 1  -15    7    3 o  505.905   13.121  1737.16   89.954  1737.16   89.954   0.0000   0.0000  505.905   13.121  ?   ?       ?      ? 
1 1 1  -15    7    4 o  836.653   11.873  4708.58  125.642  4888.51  223.878  4625.86  151.802  847.797   19.487  825.509   13.570 22.28790 23.74589 
1 1 1  -15    7    5 o  488.715   8.9064  1619.59   58.985   0.0000   0.0000  1619.59   58.985  ?   ?   488.715   8.9064      ?      ? 
1 1 1  -15    7    6 o  333.485   5.5436  730.539   22.097  705.743   25.561  803.859   43.954  322.681   5.8456  344.289   9.4209 -21.60794 11.08717 
1 1 1  -15    7    7 o  308.030   5.5117  666.890   20.716  701.143   24.803  587.890   37.668  321.631   5.6908  294.429   9.4408 27.20166 11.02331 
1 1 1  -15    7    8 o  340.619   5.5954  751.328   22.595  716.645   25.956  859.847   45.913  325.163   5.8905  356.074   9.5150 -30.91095 11.19074 
1 1 1  -15    7    9 o  330.846   5.8554  741.910   26.252  741.910   26.252   0.0000   0.0000  330.846   5.8554  ?   ?       ?      ? 
1 1 1  -15    7   10 o  460.045   7.0343  1434.72   43.854  1434.72   43.854   0.0000   0.0000  460.045   7.0343  ?   ?       ?      ? 
1 1 1  -15    7   11 o  868.987   11.460  5057.69  116.168  4989.55  133.326  5272.51  236.725  857.570   11.473  880.404   19.842 -22.83356 22.91976 
1 1 1  -15    7   12 o  526.139   7.5075  1796.09   45.722  1725.85   51.981  2036.20   96.108  504.545   7.6025  547.733   12.948 -43.18784 15.01509 
1 1 1  -15    7   13 o  513.011   7.5543  1856.54   47.068  1957.17   56.239  1621.22   86.000  537.287   7.7241  488.735   12.985 48.55270 15.10869 
1 1 1  -15    7   14 o  704.159   9.5226  3270.48   77.630  3186.38   88.524  3550.50  161.527  685.441   9.5303  722.876   16.489 -37.43494 19.04517 
1 1 1  -15    7   15 o  489.871   7.2038  1631.26   42.065  1635.17   49.005  1620.31   82.000  491.115   7.3633  488.626   12.384 2.488434 14.40751 
1 1 1  -15    7   16 o  691.204   9.3949  3158.29   75.382  3082.07   86.098  3408.56  156.020  674.127   9.4248  708.280   16.255 -34.15289 18.78985 
1 1 1  -15    7   17 o  593.784   8.4129  2455.66   60.253  2536.46   71.249  2252.82  112.894  611.597   8.5967  575.971   14.464 35.62610 16.82582 
1 1 1  -15    7   18 o  367.578   5.3189  916.080   26.493  904.145   37.448  928.039   37.486  365.180   7.5672  369.977   7.4767 -4.796661 10.63786 
1 1 1  -15    7   19 o  763.562   8.9419  3956.15   92.508  4027.08  132.362  3888.42  129.342  770.247   12.681  756.878   12.610 13.36908 17.88381 
1 1 1  -15    7   20 o  846.506   9.7840  4862.47  112.191  4985.93  161.477  4747.27  155.989  856.876   13.906  836.135   13.767 20.74103 19.56808 
1 1 1  -15    7   21 o  711.656   10.373  3432.27   93.899  3463.19  164.376  3417.30  114.402  713.724   16.995  709.588   11.897 4.136108 20.74565 
1 1 1  -15    7   22 o  554.752   6.9257  2087.59   52.065  2093.15   73.807  2082.10   73.455  555.485   9.8049  554.019   9.7840 1.466492 13.85146 
1 1 1  -15    7   23 o  470.461   6.1747  1500.35   39.356  1458.86   54.979  1543.94   56.362  463.794   8.7476  477.128   8.7170 -13.33405 12.34936 
1 1 1  -15    7   24 o  688.670   8.2068  3218.85   76.588  3192.49  107.883  3245.64  108.745  685.828   11.608  691.513   11.604 -5.685730 16.41369 
1 1 1  -15    7   25 o  753.002   8.8431  3849.47   90.232  3885.58  128.410  3814.24  126.819  756.487   12.526  749.516   12.486 6.971680 17.68613 
1 1 1  -15    7   26 o  485.131   6.3159  1596.39   41.522  1589.71   58.665  1603.09   58.776  484.114   8.9423  486.148   8.9218 -2.034241 12.63179 
1 1 1  -15    7   27 o  377.194   6.8334  979.027   32.807  1007.00   40.340  924.381   56.381  385.354   7.7250  369.035   11.274 16.31903 13.66678 
1 1 1  -15    7   28 o  473.604   7.5597  1533.50   46.184  1559.90   57.404  1485.06   77.764  479.547   8.8334  467.662   12.271 11.88510 15.11937 
1 1 1  -15    7   29 o  349.514   6.2907  825.740   28.355  819.190   35.006  838.235   48.349  347.568   7.4323  351.461   10.152 -3.893250 12.58143 
1 1 1  -15    7   30 o  434.813   7.2774  1318.33   41.227  1435.49   53.023  1139.22   65.558  460.025   8.5055  409.601   11.811 50.42401 14.55479 
1 1 1  -15    7   31 o  723.081   8.5814  3549.28   84.065  3469.57  117.273  3633.52  120.566  714.740   12.108  731.423   12.164 -16.68353 17.16282 
1 1 1  -15    7   32 o  600.601   10.465  2448.68   85.171  2448.68   85.171   0.0000   0.0000  600.601   10.465  ?   ?       ?      ? 
1 1 1  -15    7   33 o  512.760   6.6119  1783.64   45.935  1820.61   65.712  1748.32   64.238  517.953   9.3620  507.567   9.3393 10.38596 13.22385 
1 1 1  -15    7   34 o  644.165   7.8178  2817.99   68.242  2834.40   96.932  2801.85   96.092  646.023   11.072  642.308   11.040 3.715515 15.63558 
1 1 1  -15    7   35 o  592.234   7.3314  2381.25   58.833  2409.72   83.951  2353.77   82.473  595.708   10.399  588.760   10.337 6.948364 14.66286 
1 1 1  -15    7   36 o  427.186   5.8882  1237.51   34.074  1192.60   47.550  1284.90   48.852  419.222   8.3699  435.150   8.2843 -15.92743 11.77650 
1 1 1  -15    7   37 o  313.780   6.3078  673.452   25.096  653.700   43.774  683.122   30.629  310.223   10.413  317.337   7.1225 -7.113953 12.61566 
1 1 1  -15    7   38 o  193.277   6.4524  253.370   16.900   0.0000   0.0000  253.370   16.900  ?   ?   193.277   6.4524      ?      ? 
1 1 1  -15    7   39 o  309.766   6.1387  650.847   24.322  653.214   42.062  649.658   29.811  310.089   10.010  309.443   7.1091 0.6456604 12.27741 
1 1 1  -15    7   40 o  365.864   6.6158  909.347   30.943  908.631   53.507  909.707   37.929  365.608   10.800  366.120   7.6449 -0.5109863 13.23166 
1 1 1  -15    7   41 f  508.495   9.3544  1756.50   64.459  1756.50   64.459   0.0000   0.0000  508.495   9.3544  ?   ?       ?      ? 
1 1 1  -15    7   42 o  328.828   5.1994  733.748   23.165  714.841   32.541  753.174   32.983  324.530   7.3993  333.125   7.3065 -8.594971 10.39872 
1 1 1  -15    7   43 o  498.442   8.0810  1698.89   51.398  1715.40   63.045  1666.16   88.757  502.443   9.2594  494.441   13.247 8.001770 16.16198 
1 1 1  -15    7   44 o  325.616   6.4069  704.810   26.369  678.601   31.702  763.654   47.503  316.163   7.3993  335.069   10.462 -18.90555 12.81390 
1 1 1  -15    7   45 o  186.635   4.6665  236.021   11.792  248.934   17.053  224.188   16.325  191.520   6.5706  181.750   6.6281 9.770920 9.332955 
1 1 1  -15    7   46 o  291.695   5.0321  577.126   19.859  532.560   27.651  624.600   28.539  280.062   7.2858  303.328   6.9430 -23.26620 10.06414 
1 1 1  -15    7   47 o  169.143   5.9651  195.798   12.728  190.614   22.431  198.260   15.457  167.387   9.8887  170.900   6.6742 -3.512543 11.93028 
1 1 1  -15    7   48 o  238.323   6.0747  384.615   18.479  381.746   22.572  390.446   32.177  237.107   7.0249  239.539   9.9127 -2.431870 12.14949 
1 1 1  -15    7   49 o  317.207   6.4566  686.057   25.987  689.202   31.661  679.563   45.493  318.539   7.3347  315.876   10.628 2.662384 12.91311 
1 1 1  -15    7   50 o  344.659   5.3540  807.068   25.005  811.263   35.555  802.963   35.174  345.543   7.5930  343.776   7.5504 1.766876 10.70802 
1 1 1  -15    7   51 f  277.482   4.9765  522.794   18.700  495.876   26.172  550.867   26.727  270.177   7.1484  284.787   6.9255 -14.60977 9.953021 
1 1 1  -15    7   52 f  354.858   5.4613  854.409   26.239  896.167   38.066  816.610   36.217  363.102   7.7362  346.614   7.7105 16.48798 10.92253 
1 1 1  -15    7   53 o  319.858   6.2832  690.219   26.042  676.071   32.240  716.779   44.173  315.379   7.5436  324.338   10.050 -8.959290 12.56638 
1 1 1  -15    7   54 o  182.093   6.6372  224.781   16.315  237.206   24.392  214.723   21.946  186.599   9.6462  177.587   9.1194 9.012299 13.27450 
1 1 1  -15    7   55 o  313.189   5.1942  666.257   22.036  690.274   31.676  643.733   30.675  318.656   7.3353  307.723   7.3560 10.93274 10.38832 
1 1 1  -15    7   56 o  190.320   4.8101  246.172   12.405  243.703   17.596  248.612   17.490  189.366   6.8570  191.273   6.7476 -1.906799 9.620166 
1 1 1  -15    7   57 o  179.923   4.8209  219.564   11.737  236.934   17.000  203.742   16.225  186.717   6.7185  173.130   6.9157 13.58707 9.641817 
1 1 1  -15    7   58 o   99.686   5.7198   67.700   7.7196   65.554   11.036   69.755   10.802   98.126   8.2992  101.246   7.8733 -3.119194 11.43963 
1 1 1  -15    7   59 o  141.560   6.5957  138.320   11.660  141.102   14.074  132.231   20.820  144.036   7.2105  139.083   11.046 4.953323 13.19134 
1 1 1  -15    7   60 o  206.200   6.7829  290.158   18.944  287.931   27.158  292.268   26.439  205.405   9.7566  206.996   9.4255 -1.590652 13.56579 
1 1 1  -15    7   61 o  218.298   6.8276  326.522   20.109  295.499   28.707  356.413   28.178  207.988   10.185  228.609   9.0956 -20.62097 13.65516 
1 1 1  -15    7   62 o  144.914   5.3434  143.005   10.477  141.999   15.213  143.912   14.451  144.410   7.7737  145.419   7.3333 -1.008682 10.68676 
1 1 1  -15    7   63 o  173.577   4.9799  205.010   11.711  204.664   16.725  205.344   16.404  173.425   7.1168  173.729   6.9676 -0.3032837 9.959735 
1 1 1  -15    7   64 f  237.083   4.9993  382.306   16.057  391.828   23.068  373.356   22.363  239.942   7.0946  234.225   7.0456 5.716934 9.998685 
1 1 1  -15    7   65 o  262.890   5.0770  470.442   18.082  473.694   25.904  467.353   25.252  263.764   7.2473  262.016   7.1120 1.747711 10.15398 
1 1 1  -15    7   66 o  229.969   5.0117  359.483   15.605  376.796   22.633  343.795   21.545  235.235   7.0999  224.702   7.0754 10.53355 10.02343 
1 1 1  -15    7   67 f  208.355   4.9949  295.694   14.094  295.419   20.285  295.951   19.598  208.242   7.1882  208.468   6.9374 -0.2258453 9.989818 
1 1 1  -15    7   68 f  266.309   6.2559  485.370   21.243  482.989   36.857  486.554   25.995  265.422   10.247  267.197   7.1792 -1.774719 12.51170 
1 1 1  -15    7   69 o  116.869   6.7424   90.187   10.078  103.776   17.942   83.923   12.182  122.890   10.774  110.848   8.1095 12.04224 13.48472 
1 1 1  -15    7   70 o   97.762   6.1390   65.394   8.1287   65.859   11.706   64.962   11.297   98.083   8.8068   97.441   8.5551 0.6417694 12.27799 
1 1 1  -15    7   71 o  179.558   6.1294  227.673   14.259  248.855   18.245  194.441   22.853  190.950   7.0510  168.166   10.028 22.78334 12.25888 
1 1 1  -15    7   72 o  110.147   6.8521   81.988   9.9413   77.556   12.511   89.580   16.374  106.342   8.6820  113.952   10.603 -7.610001 13.70417 
1 1 1  -15    7   73 o  136.439   6.7206  126.355   11.652  123.058   14.120  133.393   20.630  134.047   7.7732  138.833   10.965 -4.785934 13.44111 
1 1 1  -15    7   74 o  147.843   6.6613  148.249   12.505  143.865   15.132  157.692   22.209  144.870   7.7079  150.815   10.867 -5.945129 13.32266 
1 1 1  -15    7   75 o  165.914   5.1361  188.423   11.540  197.246   16.646  180.257   16.014  169.655   7.2402  162.173   7.2869 7.482559 10.27224 
1 1 1  -15    7   76 o   51.694   9.5468   19.575   6.7578   19.905   9.7248   19.267   9.3975   52.096   13.621   51.291   13.380 0.8053665 19.09366 
1 1 1  -15    7   77 o  119.277   7.0852  102.187   10.449   90.612   18.520  107.592   12.655  113.468   12.044  125.086   7.4660 -11.61800 14.17040 
1 1 1  -15    7   78 o   81.404   6.8230   46.571   7.4498   40.969   10.843   51.580   10.253   76.532   10.455   86.275   8.7697 -9.742332 13.64592 
1 1 1  -15    7   79 o  112.187   5.6094   87.481   8.4812   79.402   12.217   94.996   11.783  107.017   8.4241  117.357   7.4093 -10.33981 11.21887 
1 1 1  -15    7   80 o   67.565   7.4473   32.068   6.8048   33.824   10.022   30.565   9.2693   69.239   10.681   65.891   10.381 3.348473 14.89455 
1 1 1  -15    7   81 o  103.875   7.0250   74.299   9.3028   81.076   16.457   71.117   11.278  106.661   11.386  101.090   8.2323 5.570511 14.05001 
1 1 1  -15    7   82 o  112.919   6.8222   87.923   9.8655   96.186   17.303   83.944   12.009  116.095   10.998  109.742   8.0749 6.353271 13.64437 
1 1 1  -15    7   83 o  127.149   6.3792  106.370   10.429  138.455   18.665   91.805   12.575  139.700   9.8591  114.597   8.0978 25.10294 12.75835 
1 1 1  -15    7   84 o   41.438   9.8212   12.691   6.9181   4.4345   11.684   17.148   8.5847   35.467   14.741   47.410   12.981 -11.94259 19.64246 
1 1 1  -15    7   85 o   38.090   10.505   8.4514   7.8261   7.7918   11.426   9.0343   10.741   37.799   14.986   38.381   14.725 -0.5818939 21.00937 
1 1 1  -15    7   86 o   40.267   15.343   10.580   11.611   10.580   11.611   0.0000   0.0000   40.267   15.343  ?   ?       ?      ? 
1 1 1  -15    7   87 o   67.648   14.482   36.227   12.875   36.227   12.875   0.0000   0.0000   67.648   14.482  ?   ?       ?      ? 
1 1 1  -15    7   88 o  121.598   10.734  108.218   17.688  108.218   17.688   0.0000   0.0000  121.598   10.734  ?   ?       ?      ? 
1 1 1  -15    7   89 o   61.612   15.787   31.448   13.240   31.448   13.240   0.0000   0.0000   61.612   15.787  ?   ?       ?      ? 
1 1 1  -15    8    1 o  403.763   6.9807  1107.83   35.678  1100.70   62.812  1111.23   43.350  402.713   11.510  404.813   7.9022 -2.100464 13.96135 
1 1 1  -15    8    2 o  322.773   6.2441  701.406   25.291  720.295   45.624  693.028   30.386  325.830   10.333  319.717   7.0134 6.112457 12.48822 
1 1 1  -15    8    3 o  327.448   5.0064  726.763   22.212  743.737   31.686  710.363   31.145  331.207   7.0597  323.690   7.1003 7.517792 10.01270 
1 1 1  -15    8    4 o  594.744   7.2920  2398.20   58.750  2336.78   81.782  2463.69   84.452  586.883   10.283  602.605   10.342 -15.72113 14.58408 
1 1 1  -15    8    5 o  744.921   12.366  3766.87  124.833  3766.87  124.833   0.0000   0.0000  744.921   12.366  ?   ?       ?      ? 
1 1 1  -15    8    6 o  752.021   12.476  3839.12  127.137  3839.12  127.137   0.0000   0.0000  752.021   12.476  ?   ?       ?      ? 
1 1 1  -15    8    7 o  565.724   8.1309  2170.24   62.334  2170.24   62.334   0.0000   0.0000  565.724   8.1309  ?   ?       ?      ? 
1 1 1  -15    8    8 o  567.411   8.1568  2183.22   62.720  2183.22   62.720   0.0000   0.0000  567.411   8.1568  ?   ?       ?      ? 
1 1 1  -15    8    9 o  682.636   9.4692  3303.80   78.760  3509.95   94.540  2836.17  142.389  719.328   9.6985  645.943   16.267 73.38452 18.93842 
1 1 1  -15    8   10 o  793.952   10.556  3966.65   93.433  3749.68  104.255  4851.94  210.594  743.427   10.349  844.478   18.402 -101.0511 21.11254 
1 1 1  -15    8   11 o  542.442   7.8489  2062.90   51.572  2152.36   61.324  1846.79   95.313  563.391   8.0322  521.493   13.487 41.89777 15.69782 
1 1 1  -15    8   12 o  312.066   5.5900  680.359   21.303  708.927   25.450  613.502   38.933  323.396   5.8073  300.737   9.5533 22.65826 11.17991 
1 1 1  -15    8   13 o  342.008   5.7185  780.903   23.511  767.019   27.387  819.815   45.847  336.379   6.0079  347.637   9.7320 -11.25766 11.43707 
1 1 1  -15    8   14 o  397.655   6.3100  1086.43   30.269  1103.62   35.629  1041.82   57.387  403.477   6.5163  391.834   10.808 11.64291 12.62008 
1 1 1  -15    8   15 o  403.803   6.3648  1111.72   30.896  1118.51   36.199  1093.48   59.289  406.185   6.5765  401.421   10.899 4.764740 12.72954 
1 1 1  -15    8   16 o  435.758   6.6809  1296.74   34.951  1306.90   40.938  1269.41   67.127  439.048   6.8807  432.469   11.454 6.579132 13.36182 
1 1 1  -15    8   17 o  511.739   7.4032  1728.64   44.385  1683.04   50.893  1873.50   90.712  498.205   7.5382  525.272   12.744 -27.06738 14.80634 
1 1 1  -15    8   18 o  397.351   6.2470  1046.68   29.503  1021.57   34.099  1121.45   58.840  388.182   6.4822  406.520   10.681 -18.33749 12.49409 
1 1 1  -15    8   19 o  397.852   6.9181  1102.43   36.184  1229.18   47.606  929.035   55.683  425.726   8.2519  369.978   11.106 55.74796 13.83614 
1 1 1  -15    8   20 f  621.730   9.1487  2480.85   70.430  2291.75   82.667  2981.53  134.512  581.135   10.497  662.325   14.987 -81.18927 18.29737 
1 1 1  -15    8   21 o  397.004   6.8121  1097.97   35.231  1192.17   45.258  953.093   56.129  419.276   7.9654  374.731   11.053 44.54456 13.62420 
1 1 1  -15    8   22 o  221.770   5.3054  335.297   15.378  340.452   19.421  326.632   25.179  224.092   6.3952  219.448   8.4670 4.643463 10.61084 
1 1 1  -15    8   23 o  242.069   5.4399  401.219   17.183  412.250   21.723  382.781   28.083  246.587   6.5009  237.551   8.7239 9.035904 10.87974 
1 1 1  -15    8   24 o  561.557   8.6723  2206.54   63.721  2469.22   83.346  1836.99   98.857  603.201   10.196  519.912   14.031 83.28815 17.34463 
1 1 1  -15    8   25 o  535.822   9.6008  1948.15   69.712  1948.15   69.712   0.0000   0.0000  535.822   9.6008  ?   ?       ?      ? 
1 1 1  -15    8   26 o  336.131   6.4350  762.177   27.378  754.396   33.153  778.859   48.543  333.529   7.3352  338.733   10.575 -5.204712 12.87008 
1 1 1  -15    8   27 o  431.821   5.8779  1264.94   34.396  1264.06   48.763  1265.81   48.524  431.671   8.3360  431.971   8.2893 -0.3009338 11.75586 
1 1 1  -15    8   28 o  375.442   5.4523  956.046   27.739  959.801   39.441  952.370   39.019  376.170   7.7372  374.714   7.6841 1.456207 10.90454 
1 1 1  -15    8   29 o  536.953   9.6429  1956.92   70.166  1956.92   70.166   0.0000   0.0000  536.953   9.6429  ?   ?       ?      ? 
1 1 1  -15    8   30 o  516.186   6.6335  1803.48   46.335  1909.79   67.721  1709.90   63.535  530.446   9.4211  501.927   9.3410 28.51932 13.26692 
1 1 1  -15    8   31 o  248.143   4.7042  416.610   15.800  442.134   22.986  393.747   21.755  255.331   6.6431  240.954   6.6625 14.37694 9.408463 
1 1 1  -15    8   32 o  246.403   4.6898  411.798   15.656  410.579   22.358  412.971   21.930  246.043   6.7058  246.764   6.5582 -0.7207642 9.379583 
1 1 1  -15    8   33 o  384.886   5.5387  1003.99   28.871  1039.96   41.710  970.909   40.003  391.495   7.8620  378.278   7.8037 13.21713 11.07740 
1 1 1  -15    8   34 o  162.645   4.6441  179.356   10.221  180.676   14.888  178.179   14.056  163.206   6.7316  162.083   6.3997 1.123215 9.288202 
1 1 1  -15    8   35 o  380.366   6.7037  979.800   32.585  990.795   56.556  974.336   39.867  381.816   10.931  378.917   7.7641 2.898895 13.40744 
1 1 1  -15    8   36 o  507.189   9.2743  1747.04   63.743   0.0000   0.0000  1747.04   63.743  ?   ?   507.189   9.2743      ?      ? 
1 1 1  -15    8   37 f  216.270   4.7256  317.440   13.839  313.903   19.893  320.757   19.265  215.096   6.8249  217.443   6.5380 -2.347488 9.451167 
1 1 1  -15    8   38 o  122.062   4.9983  101.125   8.2632  100.437   11.862  101.773   11.517  121.655   7.1953  122.468   6.9398 -0.8134689 9.996651 
1 1 1  -15    8   39 f  409.742   5.7637  1138.82   31.987  1179.22   46.123  1101.39   44.398  416.734   8.1672  402.749   8.1348 13.98502 11.52731 
1 1 1  -15    8   40 o  504.401   9.3066  1728.91   63.613  1728.91   63.613   0.0000   0.0000  504.401   9.3066  ?   ?       ?      ? 
1 1 1  -15    8   41 o  271.045   4.8633  498.061   17.852  515.172   25.795  482.329   24.733  275.506   6.9090  266.584   6.8465 8.922577 9.726656 
1 1 1  -15    8   42 o  171.081   6.0752  205.519   13.169  219.723   16.322  179.021   22.293  179.928   6.6940  162.234   10.140 17.69371 12.15038 
1 1 1  -15    8   43 o  293.647   5.0270  585.480   20.002  575.853   28.320  595.061   28.253  291.233   7.1758  296.061   7.0421 -4.828308 10.05400 
1 1 1  -15    8   44 o  345.707   5.3208  810.907   24.915  838.591   35.902  785.190   34.604  351.391   7.5396  340.022   7.5099 11.36899 10.64164 
1 1 1  -15    8   45 o  428.745   5.9658  1248.56   34.650  1209.19   48.344  1290.16   49.689  421.794   8.4578  435.695   8.4159 -13.90115 11.93152 
1 1 1  -15    8   46 o  410.256   5.8129  1143.47   32.310  1165.53   46.275  1122.48   45.134  414.113   8.2461  406.400   8.1953 7.713165 11.62589 
1 1 1  -15    8   47 o  317.782   5.1778  685.446   22.280  647.986   31.078  725.058   31.958  308.844   7.4255  326.719   7.2180 -17.87457 10.35561 
1 1 1  -15    8   48 o  219.825   4.7712  328.327   14.185  302.579   19.928  354.775   20.197  211.067   6.9673  228.582   6.5202 -17.51527 9.542367 
1 1 1  -15    8   49 o  228.387   4.7873  354.220   14.811  356.052   21.246  352.487   20.660  228.956   6.8477  227.819   6.6919 1.136551 9.574541 
1 1 1  -15    8   50 o  256.705   4.9071  446.724   17.052  473.844   24.754  422.237   23.523  264.105   6.9166  249.304   6.9627 14.80084 9.814176 
1 1 1  -15    8   51 o  370.535   6.7217  937.698   32.240  944.114   40.134  926.023   54.135  372.612   7.9482  368.458   10.842 4.154205 13.44331 
1 1 1  -15    8   52 o  304.783   7.2416  633.538   29.869  629.248   43.304  637.430   41.253  303.747   10.520  305.820   9.9541 -2.072968 14.48317 
1 1 1  -15    8   53 o  166.423   7.2794  189.071   16.393  200.719   23.187  177.429   23.181  171.586   9.9718  161.260   10.608 10.32671 14.55876 
1 1 1  -15    8   54 o  191.331   6.1021  246.126   14.798  240.633   17.895  258.005   26.317  188.153   7.0184  194.510   9.9842 -6.357468 12.20421 
1 1 1  -15    8   55 o  197.426   4.8873  263.986   13.042  291.991   19.036  239.213   17.904  207.270   6.7774  187.582   7.0435 19.68831 9.774643 
1 1 1  -15    8   56 o  267.330   6.9771  488.170   25.175  434.496   35.321  543.592   35.892  252.288   10.331  282.373   9.3797 -30.08559 13.95410 
1 1 1  -15    8   57 o   84.591   7.8430   47.319   8.4444   53.566   15.137   44.496   10.175   88.399   12.636   80.782   9.2947 7.617050 15.68595 
1 1 1  -15    8   58 o   77.509   10.545   41.848   10.747   24.846   14.449   62.904   16.079   59.222   17.069   95.796   12.386 -36.57416 21.08971 
1 1 1  -15    8   59 o   50.717   10.097   19.396   7.4249   9.3690   13.229   24.008   8.9712   43.249   16.401   58.185   11.782 -14.93631 20.19397 
1 1 1  -15    8   60 o  164.542   5.0795  184.384   11.293  166.751   15.852  202.553   16.091  156.519   7.4738  172.565   6.8810 -16.04614 10.15904 
1 1 1  -15    8   61 o   53.861   9.3735   20.706   6.7663   20.865   10.147   20.579   9.0799   54.034   13.806   53.688   12.682 0.3464279 18.74691 
1 1 1  -15    8   62 o  147.032   5.1254  146.997   10.198  150.132   14.878  144.219   14.006  148.496   7.3936  145.569   7.1002 2.926865 10.25075 
1 1 1  -15    8   63 o   80.181   6.9268   44.056   7.4902   42.718   11.051   45.193   10.187   79.013   10.321   81.348   9.2412 -2.335060 13.85351 
1 1 1  -15    8   64 o  156.844   5.1191  167.495   10.871  168.528   15.717  166.547   15.054  157.293   7.3735  156.395   7.1029 0.8971863 10.23819 
1 1 1  -15    8   65 o  153.157   5.1497  159.918   10.677  157.275   15.384  162.373   14.830  151.914   7.4728  154.401   7.0877 -2.487045 10.29940 
1 1 1  -15    8   66 o  123.884   5.5396  105.267   9.2447   93.879   13.242  116.096   12.913  117.256   8.3334  130.512   7.3010 -13.25542 11.07929 
1 1 1  -15    8   67 o  108.059   7.0370   74.704   9.6100   95.129   17.818   66.325   11.412  117.610   11.180   98.507   8.5491 19.10387 14.07396 
1 1 1  -15    8   68 o  110.233   5.8142   82.846   8.6734   87.343   12.675   78.887   11.894  113.033   8.2751  107.434   8.1696 5.599297 11.62842 
1 1 1  -15    8   69 o  113.604   5.7152   87.938   8.7812   93.723   12.920   82.971   11.971  117.056   8.1449  110.153   8.0197 6.903152 11.43047 
1 1 1  -15    8   70 o   69.825   9.4548   38.267   8.5612   55.649   11.519   16.819   12.796   89.998   9.4452   49.651   16.382 40.34606 18.90957 
1 1 1  -15    8   71 o  117.029   5.7677   93.677   9.1373   98.125   13.297   89.697   12.577  119.648   8.2012  114.409   8.1120 5.239471 11.53539 
1 1 1  -15    8   72 o  187.886   6.6190  254.713   15.590  278.923   19.328  209.628   26.375  201.937   7.0628  173.834   11.196 28.10304 13.23801 
1 1 1  -15    8   73 o  222.222   5.0662  338.300   15.248  325.225   21.545  351.422   21.583  217.874   7.2972  226.569   7.0295 -8.694824 10.13233 
1 1 1  -15    8   74 o   98.443   6.0350   66.535   8.0289   69.830   11.897   63.779   10.880  100.637   8.7237   96.249   8.3416 4.387657 12.07005 
1 1 1  -15    8   75 o  103.462   5.9980   73.220   8.3669   80.387   12.633   67.620   11.167  107.897   8.6401   99.026   8.3217 8.870972 11.99592 
1 1 1  -15    8   76 o  103.462   6.9712   67.545   9.0825   94.460   17.141   57.037   10.710  116.141   10.891   90.782   8.7054 25.35915 13.94245 
1 1 1  -15    8   77 o   62.818   8.2151   28.924   6.7149   24.167   10.059   32.748   9.0184   57.119   13.252   68.517   9.7128 -11.39888 16.43025 
1 1 1  -15    8   78 o   61.027   8.1519   26.207   6.5381   35.020   10.002   19.632   8.6393   70.572   10.459   51.482   12.507 19.09006 16.30376 
1 1 1  -15    8   79 o   55.067   8.7758   22.975   6.4128   18.133   9.5331   26.978   8.6667   49.201   13.760   60.934   10.896 -11.73252 17.55152 
1 1 1  -15    8   80 o   93.969   7.4646   61.746   8.8560   65.088   15.817   60.220   10.688   95.056   12.279   92.883   8.4917 2.173363 14.92912 
1 1 1  -15    8   81 o  124.772   6.8207  114.491   10.575   97.366   18.284  123.098   12.962  116.328   11.599  133.216   7.1804 -16.88766 13.64139 
1 1 1  -15    8   82 o   54.104   10.418   21.371   7.4214   27.393   13.292   18.643   8.9456   58.757   16.180   49.451   13.129 9.306171 20.83658 
1 1 1  -15    8   83 o  111.618   6.8377   86.855   9.7261   94.469   17.188   83.268   11.796  114.273   11.099  108.963   7.9890 5.310463 13.67536 
1 1 1  -15    8   84 o  128.184   7.8449  119.783   13.580  126.632   18.875  112.434   19.554  132.436   10.517  123.933   11.643 8.502296 15.68981 
1 1 1  -15    8   85 o   89.007   12.031   58.602   14.512   58.602   14.512   0.0000   0.0000   89.007   12.031  ?   ?       ?      ? 
1 1 1  -15    8   86 o   66.277   14.902   35.181   13.059   35.181   13.059   0.0000   0.0000   66.277   14.902  ?   ?       ?      ? 
1 1 1  -15    8   87 o   90.450   12.234   61.320   14.995   61.320   14.995   0.0000   0.0000   90.450   12.234  ?   ?       ?      ? 
1 1 1  -15    8   88 o   64.408   15.177   33.921   13.029   33.921   13.029   0.0000   0.0000   64.408   15.177  ?   ?       ?      ? 
1 1 1  -15    9    1 o  402.513   6.7379  1104.31   35.136  1082.08   58.793  1116.67   43.822  399.262   10.866  405.764   7.9697 -6.502136 13.47571 
1 1 1  -15    9    2 o  351.885   6.2485  845.406   28.541  820.824   47.437  859.355   35.733  347.787   10.065  355.982   7.4072 -8.195099 12.49700 
1 1 1  -15    9    3 o  528.657   8.0847  1888.48   54.842  1924.98   94.588  1870.00   67.310  532.322   13.112  524.991   9.4612 7.330688 16.16931 
1 1 1  -15    9    4 o  304.995   5.8781  637.338   23.314  607.612   38.399  654.693   29.340  299.258   9.4688  310.731   6.9678 -11.47324 11.75618 
1 1 1  -15    9    5 o  385.994   7.8240  1005.71   40.698  961.283   54.290  1062.70   61.491  376.343   10.645  395.645   11.469 -19.30203 15.64799 
1 1 1  -15    9    6 o  447.634   8.5608  1358.17   51.781  1508.88   74.875  1220.02   71.687  471.423   11.720  423.844   12.481 47.57858 17.12155 
1 1 1  -15    9    7 o  237.588   5.3065  376.494   16.389  404.702   27.818  361.498   20.282  244.267   8.4038  230.910   6.4817 13.35757 10.61305 
1 1 1  -15    9    8 o  226.650   5.3233  355.642   15.770  379.704   20.228  318.355   25.180  236.657   6.3075  216.643   8.5770 20.01428 10.64659 
1 1 1  -15    9    9 f  431.826   7.0686  1280.20   39.591  1319.14   49.709  1212.66   65.472  441.008   8.3177  422.644   11.431 18.36414 14.13723 
1 1 1  -15    9   10 o  419.855   6.8651  1174.98   36.882  1134.35   44.885  1259.46   64.717  408.964   8.0990  430.745   11.087 -21.78098 13.73013 
1 1 1  -15    9   11 o  310.828   5.8592  656.596   23.658  659.898   29.558  650.709   39.466  311.963   6.9918  309.692   9.4040 2.271179 11.71832 
1 1 1  -15    9   12 o  511.281   7.9339  1795.17   52.540  1847.91   65.838  1702.69   87.185  521.892   9.3092  500.669   12.850 21.22284 15.86774 
1 1 1  -15    9   13 o  383.091   6.4979  980.950   31.988  950.862   39.134  1041.53   55.528  374.443   7.7124  391.739   10.460 -17.29657 12.99587 
1 1 1  -15    9   14 f  422.620   6.9279  1208.05   37.733  1199.36   46.560  1224.67   64.408  420.508   8.1706  424.731   11.190 -4.223358 13.85571 
1 1 1  -15    9   15 o  397.904   6.2734  1047.67   29.715  1020.12   34.355  1129.50   59.203  387.886   6.5360  407.922   10.710 -20.03586 12.54671 
1 1 1  -15    9   16 o  200.504   4.8916  272.037   12.264  271.142   14.724  274.065   22.163  199.995   5.4327  201.012   8.1362 -1.016693 9.783258 
1 1 1  -15    9   17 o  397.315   6.9022  1097.97   36.045  1210.24   47.187  940.691   55.853  422.397   8.2437  372.234   11.073 50.16223 13.80430 
1 1 1  -15    9   18 o  484.027   7.1365  1552.74   40.690  1516.11   46.814  1665.90   82.285  472.822   7.3063  495.232   12.261 -22.40994 14.27298 
1 1 1  -15    9   19 o  194.790   4.8979  259.501   11.911  263.059   14.345  251.602   21.375  196.990   5.3736  192.590   8.1903 4.399979 9.795734 
1 1 1  -15    9   20 f  233.180   5.1286  378.599   14.738  393.640   17.705  344.662   26.595  240.969   5.4219  225.390   8.7072 15.57976 10.25728 
1 1 1  -15    9   21 o  223.486   5.0547  344.404   13.959  352.981   16.731  324.762   25.318  228.184   5.4108  218.788   8.5395 9.396683 10.10941 
1 1 1  -15    9   22 o  281.216   5.2509  512.729   17.850  486.364   20.711  588.871   35.196  267.839   5.7060  294.593   8.8163 -26.75388 10.50174 
1 1 1  -15    9   23 o  262.240   6.6961  466.362   23.796  466.362   23.796   0.0000   0.0000  262.240   6.6961  ?   ?       ?      ? 
1 1 1  -15    9   24 o  321.588   6.2724  683.744   25.351  655.425   30.299  749.829   46.286  310.859   7.1927  332.316   10.278 -21.45746 12.54483 
1 1 1  -15    9   25 o  224.433   6.5588  341.595   19.948  341.595   19.948   0.0000   0.0000  224.433   6.5588  ?   ?       ?      ? 
1 1 1  -15    9   26 o  257.353   4.6947  449.316   16.367  437.103   23.197  461.423   23.096  253.866   6.7429  260.841   6.5339 -6.974701 9.389324 
1 1 1  -15    9   27 o  515.318   9.3762  1802.83   65.477  1802.83   65.477   0.0000   0.0000  515.318   9.3762  ?   ?       ?      ? 
1 1 1  -15    9   28 o  510.015   6.5693  1764.57   45.382  1814.31   65.390  1718.34   63.036  516.940   9.3344  503.091   9.2461 13.84814 13.13852 
1 1 1  -15    9   29 o  616.369   7.5611  2581.34   63.154  2566.22   89.360  2596.44   89.266  614.559   10.730  618.180   10.656 -3.620300 15.12214 
1 1 1  -15    9   30 o  448.094   7.4082  1385.90   42.818  1291.28   71.326  1439.21   53.537  435.741   12.079  460.447   8.5801 -24.70645 14.81642 
1 1 1  -15    9   31 o  165.426   5.5414  186.902   11.682  182.233   20.201  189.248   14.319  163.816   9.0999  167.035   6.3260 -3.218445 11.08275 
1 1 1  -15    9   32 o  400.766   6.9022  1098.12   35.501  1069.24   60.498  1113.28   43.843  396.546   11.258  404.985   7.9887 -8.439331 13.80448 
1 1 1  -15    9   33 o  316.243   5.0843  678.597   21.784  681.491   31.164  675.833   30.463  316.897   7.2570  315.588   7.1230 1.309357 10.16864 
1 1 1  -15    9   34 o  197.052   5.8411  267.427   14.327  253.983   25.702  273.487   17.256  193.323   9.8106  200.781   6.3422 -7.458069 11.68215 
1 1 1  -15    9   35 o  243.363   5.9041  403.893   18.071  397.605   32.120  406.805   21.859  241.868   9.7998  244.857   6.5877 -2.989594 11.80818 
1 1 1  -15    9   36 o  315.104   5.0868  672.925   21.704  701.111   31.453  647.304   29.988  321.392   7.2218  308.817   7.1657 12.57462 10.17357 
1 1 1  -15    9   37 o  390.832   7.9971  1037.32   42.355  1037.32   42.355   0.0000   0.0000  390.832   7.9971  ?   ?       ?      ? 
1 1 1  -15    9   38 o  379.346   5.5477  976.474   28.505  1003.14   41.090  951.737   39.578  384.329   7.8895  374.363   7.8014 9.966064 11.09531 
1 1 1  -15    9   39 f  450.740   6.1174  1380.18   37.359  1343.57   52.378  1418.09   53.301  444.651   8.6925  456.829   8.6099 -12.17801 12.23481 
1 1 1  -15    9   40 o  253.748   6.1030  444.699   19.698  459.208   24.236  416.459   33.812  260.084   6.8764  247.411   10.085 12.67297 12.20596 
1 1 1  -15    9   41 o   64.674   9.7141   34.061   8.0201   42.969   9.7556   15.490   14.086   79.497   9.0557   49.852   17.189 29.64502 19.42822 
1 1 1  -15    9   42 o  255.503   4.8374  442.708   16.737  456.994   24.241  429.693   23.137  259.433   6.8952  251.573   6.7867 7.860413 9.674852 
1 1 1  -15    9   43 o  398.917   5.7157  1081.48   30.897  1066.19   43.622  1096.88   43.768  396.081   8.1271  401.754   8.0392 -5.672882 11.43146 
1 1 1  -15    9   44 o  318.181   7.3618  687.744   31.743  687.744   31.743   0.0000   0.0000  318.181   7.3618  ?   ?       ?      ? 
1 1 1  -15    9   45 o  200.610   4.7257  272.859   12.834  282.811   18.667  263.937   17.674  204.069   6.7502  197.151   6.6155 6.918457 9.451462 
1 1 1  -15    9   46 o  144.614   4.9370  142.580   9.6396  132.762   13.901  151.674   13.379  139.782   7.3388  149.447   6.6061 -9.664474 9.874075 
1 1 1  -15    9   47 o  245.727   4.8409  409.928   16.113  417.943   23.209  402.472   22.387  248.039   6.9049  243.415   6.7868 4.623444 9.681864 
1 1 1  -15    9   48 o  134.561   5.8988  124.195   10.487  128.081   13.531  118.350   16.595  137.282   7.2733  131.840   9.2888 5.442337 11.79756 
1 1 1  -15    9   49 o  257.422   5.7852  441.391   19.328  419.805   23.832  482.872   33.037  248.546   7.0757  266.298   9.1547 -17.75189 11.57038 
1 1 1  -15    9   50 o  241.240   6.0309  389.226   18.296  414.445   33.141  378.171   21.943  246.574   9.9183  235.906   6.8640 10.66789 12.06182 
1 1 1  -15    9   51 o  219.913   6.7376  330.033   19.988  324.681   29.583  334.528   27.112  218.206   10.004  221.621   9.0276 -3.415268 13.47529 
1 1 1  -15    9   52 o  236.309   6.7412  373.812   21.392  443.120   32.880  322.936   28.170  254.964   9.5162  217.654   9.5508 37.30983 13.48244 
1 1 1  -15    9   53 o  192.227   4.8800  251.859   12.678  235.248   18.157  267.661   17.710  185.998   7.2037  198.457   6.5850 -12.45877 9.759935 
1 1 1  -15    9   54 o  251.359   4.9408  429.736   16.806  400.809   23.623  459.381   23.914  242.767   7.1806  259.951   6.7886 -17.18471 9.881636 
1 1 1  -15    9   55 o  244.311   4.9950  405.479   16.472  358.216   22.850  456.611   23.767  229.469   7.3483  259.153   6.7677 -29.68427 9.989950 
1 1 1  -15    9   56 o  181.870   7.2284  226.060   17.803  233.904   25.075  218.086   25.282  185.085   9.9975  178.655   10.443 6.430008 14.45675 
1 1 1  -15    9   57 o   84.031   10.350   62.996   9.5284   25.529   17.662   78.377   11.316   60.769   19.181  107.292   7.7832 -46.52283 20.69959 
1 1 1  -15    9   58 o  165.882   6.3791  187.353   13.283  188.641   23.815  186.771   16.004  166.086   10.581  165.678   7.1281 0.4081421 12.75818 
1 1 1  -15    9   59 o  307.008   6.6163  650.227   26.198  666.534   32.640  620.694   43.924  312.846   7.6989  301.169   10.762 11.67703 13.23268 
1 1 1  -15    9   60 o  154.640   6.6643  168.729   13.173  181.956   16.520  145.636   21.828  163.467   7.4575  145.814   11.047 17.65289 13.32856 
1 1 1  -15    9   61 o  241.266   5.0185  395.907   16.394  404.584   23.780  388.048   22.631  243.767   7.1987  238.766   6.9943 5.001266 10.03696 
1 1 1  -15    9   62 o  145.949   5.2430  145.044   10.342  146.074   15.217  144.159   14.099  146.403   7.6698  145.495   7.1507 0.9078827 10.48606 
1 1 1  -15    9   63 f  128.731   5.4379  113.133   9.4624  110.634   13.793  115.354   13.006  127.355   7.9920  130.107   7.3764 -2.752182 10.87581 
1 1 1  -15    9   64 o  162.391   5.0347  179.462   11.066  184.202   16.133  175.251   15.206  164.397   7.2418  160.384   6.9964 4.012863 10.06948 
1 1 1  -15    9   65 o  103.547   7.4890   76.321   9.4707   67.186   17.144   80.334   11.362   98.600   12.830  108.494   7.7278 -9.894196 14.97792 
1 1 1  -15    9   66 o   59.447   10.108   27.355   7.8365   17.270   14.577   31.455   9.2936   51.214   17.492   67.679   10.133 -16.46506 20.21515 
1 1 1  -15    9   67 o  133.202   5.3845  120.467   9.6890  132.872   14.361  110.103   13.127  139.459   7.5990  126.944   7.6306 12.51474 10.76899 
1 1 1  -15    9   68 o  147.069   6.0390  142.334   11.704  124.653   14.620  173.890   19.530  134.960   7.9937  159.177   9.0542 -24.21721 12.07794 
1 1 1  -15    9   69 f  114.122   6.9120   93.420   10.189  106.598   13.223   74.166   15.984  124.773   7.8206  103.471   11.399 21.30218 13.82408 
1 1 1  -15    9   70 o  148.118   6.5266  149.096   12.360  145.276   15.069  156.949   21.607  145.627   7.6358  150.609   10.587 -4.982468 13.05310 
1 1 1  -15    9   71 o  146.112   6.6265  143.147   12.400  135.185   15.050  159.977   21.881  140.340   7.9134  151.883   10.631 -11.54381 13.25297 
1 1 1  -15    9   72 o   74.212   7.1951   37.877   7.2038   41.886   10.820   34.684   9.6547   77.692   10.277   70.731   10.073 6.960754 14.39026 
1 1 1  -15    9   73 o   87.309   6.5208   52.176   7.6724   59.416   11.570   46.492   10.250   92.657   9.2145   81.960   9.2290 10.69680 13.04154 
1 1 1  -15    9   74 o  102.988   7.6308   76.477   9.5763   68.617   17.434   79.873   11.460   98.321   13.085  107.654   7.8555 -9.333008 15.26154 
1 1 1  -15    9   75 o  144.483   6.5095  142.555   11.677  151.623   21.582  138.801   13.885  146.969   10.836  141.997   7.2160 4.971619 13.01906 
1 1 1  -15    9   76 o  118.957   5.5353   98.019   8.8839   96.088   13.117   99.656   12.075  117.749   8.2202  120.165   7.4154 -2.415878 11.07067 
1 1 1  -15    9   77 o   40.200   9.5318   11.238   6.0956   11.402   9.1455   11.106   8.1767   40.647   13.855   39.753   13.094 0.8942337 19.06356 
1 1 1  -15    9   78 o  110.067   6.9645   83.532   9.6285   90.240   17.472   80.606   11.539  112.428   11.468  107.706   7.9057 4.722160 13.92892 
1 1 1  -15    9   79 o  145.191   6.4398  150.387   11.765  141.611   20.543  154.669   14.351  140.966   10.754  149.416   7.0877 -8.450562 12.87957 
1 1 1  -15    9   80 o   49.955   9.8436   20.457   7.2220   10.570   12.587   25.309   8.8180   41.536   15.938   58.373   11.556 -16.83699 19.68713 
1 1 1  -15    9   81 o   63.920   9.6047   32.703   7.6448   25.959   13.639   35.793   9.2314   56.884   16.638   70.955   9.6006 -14.07106 19.20934 
1 1 1  -15    9   82 o   46.495   10.174   13.587   6.7944   26.456   12.583   8.2909   8.0723   57.467   15.709   35.523   12.935 21.94332 20.34867 
1 1 1  -15    9   83 o   67.253   15.212   36.057   13.539   36.057   13.539   0.0000   0.0000   67.253   15.212  ?   ?       ?      ? 
1 1 1  -15    9   84 o   42.367   15.711   12.779   11.997   12.779   11.997   0.0000   0.0000   42.367   15.711  ?   ?       ?      ? 
1 1 1  -15    9   85 o   39.424   15.138   10.218   11.360   10.218   11.360   0.0000   0.0000   39.424   15.138  ?   ?       ?      ? 
1 1 1  -15    9   86 o   25.789   12.259 -11.2832   11.667 -11.2832   11.667   0.0000   0.0000   25.789   12.259  ?   ?       ?      ? 
1 1 1  -15    9   87 o   43.827   15.827   14.842   12.049   14.842   12.049   0.0000   0.0000   43.827   15.827  ?   ?       ?      ? 
1 1 1  -15   10    1 o  389.344   5.5284  1028.31   29.161  1061.02   41.475  996.335   41.010  395.471   7.7390  383.217   7.8969 12.25421 11.05684 
1 1 1  -15   10    2 o  372.988   6.9184  968.712   32.619  1016.63   40.097  874.944   56.091  387.119   7.6433  358.857   11.534 28.26169 13.83688 
1 1 1  -15   10    3 o  291.171   4.8666  574.781   19.185  609.047   27.421  541.923   26.852  299.673   6.7524  282.668   7.0100 17.00577 9.733234 
1 1 1  -15   10    4 o  396.046   5.5885  1064.08   29.990  1061.41   42.113  1066.83   42.719  395.544   7.8567  396.548   7.9496 -1.003448 11.17693 
1 1 1  -15   10    5 o  494.139   6.4233  1654.94   42.981  1597.47   59.433  1717.96   62.232  485.161   9.0399  503.118   9.1277 -17.95728 12.84656 
1 1 1  -15   10    6 o  246.372   4.6552  411.554   15.540  407.501   21.747  415.783   22.214  245.134   6.5466  247.610   6.6202 -2.475967 9.310473 
1 1 1  -15   10    7 o  145.832   4.5524  144.208   8.9941  139.708   12.658  148.799   12.783  143.533   6.5075  148.132   6.3677 -4.599152 9.104716 
1 1 1  -15   10    8 o  151.568   4.5447  155.753   9.3335  152.646   13.101  158.956   13.300  150.033   6.4437  153.104   6.4105 -3.070358 9.089371 
1 1 1  -15   10    9 o  269.946   5.2470  493.453   17.263  492.378   20.355  496.209   32.582  269.488   5.5738  270.405   8.8915 -0.9176025 10.49407 
1 1 1  -15   10   10 o  479.521   7.1946  1591.56   41.527  1629.13   48.921  1494.68   78.553  490.080   7.3663  468.961   12.361 21.11838 14.38924 
1 1 1  -15   10   11 o  383.233   6.2068  997.818   28.582  999.159   33.441  994.181   55.060  383.849   6.4289  382.618   10.619 1.231689 12.41362 
1 1 1  -15   10   12 o  289.630   5.4345  572.655   19.182  577.356   22.676  560.827   35.967  291.810   5.7343  287.451   9.2334 4.359985 10.86909 
1 1 1  -15   10   13 o  346.957   5.9673  840.450   25.218  873.347   30.055  762.194   46.355  358.878   6.1799  335.037   10.210 23.84122 11.93450 
1 1 1  -15   10   14 o  392.600   6.7472  1046.72   34.527  1047.71   43.282  1044.98   57.257  392.957   8.1280  392.242   10.772 0.7152405 13.49435 
1 1 1  -15   10   15 o  371.457   6.5909  946.878   32.077  979.263   40.868  894.917   51.767  379.913   7.9381  363.001   10.524 16.91248 13.18182 
1 1 1  -15   10   16 f  294.748   5.4890  595.734   19.726  604.145   23.362  574.848   36.816  298.496   5.7755  291.000   9.3360 7.495483 10.97805 
1 1 1  -15   10   17 f  227.789   5.0229  350.374   14.144  348.105   16.822  355.848   26.130  226.587   5.4785  228.991   8.4205 -2.403671 10.04582 
1 1 1  -15   10   18 o  361.944   6.1096  913.305   26.902  946.495   32.011  833.503   49.636  373.584   6.3230  350.305   10.456 23.27936 12.21925 
1 1 1  -15   10   19 o  332.169   5.7731  749.245   23.243  749.862   27.331  747.630   44.177  332.530   6.0653  331.807   9.8249 0.7226868 11.54629 
1 1 1  -15   10   20 o  234.795   5.0811  372.781   14.748  371.055   17.547  376.933   27.216  233.930   5.5353  235.660   8.5223 -1.729172 10.16217 
1 1 1  -15   10   21 o  307.826   7.1552  642.835   29.847  642.835   29.847   0.0000   0.0000  307.826   7.1552  ?   ?       ?      ? 
1 1 1  -15   10   22 o  215.069   5.3092  298.817   14.913  261.813   18.358  370.608   25.570  196.455   6.8957  233.684   8.0746 -37.22906 10.61839 
1 1 1  -15   10   23 o  277.305   5.7865  529.648   21.029  555.056   26.913  489.817   33.697  286.038   6.9432  268.573   9.2587 17.46429 11.57291 
1 1 1  -15   10   24 o  159.429   5.3022  172.437   11.279  172.239   14.712  172.719   17.565  159.339   6.8137  159.519   8.1257 -0.1799927 10.60435 
1 1 1  -15   10   25 o  350.484   6.4879  858.403   29.737  950.981   38.708  725.067   46.454  374.337   7.6305  326.630   10.495 47.70636 12.97573 
1 1 1  -15   10   26 o  380.669   6.5794  969.089   32.221  937.630   39.454  1032.09   55.832  371.673   7.8333  389.666   10.573 -17.99301 13.15876 
1 1 1  -15   10   27 o  256.893   4.7293  447.613   16.456  451.696   23.691  443.807   22.874  258.020   6.7757  255.766   6.5997 2.254028 9.458610 
1 1 1  -15   10   28 o  319.274   5.0671  691.835   21.920  687.950   31.241  695.602   30.762  318.386   7.2408  320.162   7.0904 -1.776367 10.13422 
1 1 1  -15   10   29 f  190.459   4.5535  245.772   11.734  251.888   17.157  240.397   16.085  192.677   6.5710  188.241   6.3055 4.436157 9.107006 
1 1 1  -15   10   30 o  267.102   4.7666  484.029   17.244  486.907   24.835  481.350   23.960  267.863   6.8419  266.342   6.6385 1.520874 9.533191 
1 1 1  -15   10   31 o  221.385   4.6212  332.833   13.850  325.572   19.909  339.642   19.279  219.035   6.7073  223.735   6.3586 -4.700455 9.242331 
1 1 1  -15   10   32 o  250.707   5.9157  423.142   18.522  436.706   33.737  417.289   22.161  253.440   9.8230  247.974   6.5949 5.465408 11.83144 
1 1 1  -15   10   33 f  171.269   5.8077  194.933   12.240  209.533   23.093  189.229   14.434  175.548   9.7073  166.990   6.3785 8.557312 11.61532 
1 1 1  -15   10   34 o  259.471   4.7922  456.228   16.832  472.694   24.507  441.525   23.158  263.890   6.8532  255.051   6.7004 8.838562 9.584420 
1 1 1  -15   10   35 o  346.956   5.2969  817.591   24.901  805.651   35.336  829.367   35.095  344.431   7.5707  349.481   7.4103 -5.049408 10.59375 
1 1 1  -15   10   36 o  266.493   4.8318  481.782   17.440  492.047   25.170  472.304   24.186  269.216   6.8993  263.770   6.7664 5.446564 9.663567 
1 1 1  -15   10   37 o  191.743   4.6225  249.530   11.996  250.300   17.417  248.835   16.547  192.016   6.6935  191.471   6.3771 0.5456238 9.245040 
1 1 1  -15   10   38 o  228.009   5.9774  358.078   17.319  367.436   21.250  339.565   29.888  232.636   6.7406  223.381   9.8733 9.254623 11.95486 
1 1 1  -15   10   39 o  349.223   6.6376  819.405   29.307  801.701   35.366  858.211   52.360  343.521   7.5972  354.925   10.886 -11.40479 13.27521 
1 1 1  -15   10   40 o  217.704   4.7074  321.048   13.869  336.981   20.260  306.997   19.026  222.771   6.7113  212.636   6.6028 10.13441 9.414842 
1 1 1  -15   10   41 o  278.815   4.9349  527.890   18.637  531.527   26.809  524.489   25.927  279.735   7.0721  277.895   6.8847 1.840240 9.869847 
1 1 1  -15   10   42 o  266.626   7.0439  482.915   25.451  482.915   25.451   0.0000   0.0000  266.626   7.0439  ?   ?       ?      ? 
1 1 1  -15   10   43 o  243.272   4.8128  402.374   15.847  381.066   22.468  423.469   22.355  236.839   7.0005  249.704   6.6064 -12.86528 9.625553 
1 1 1  -15   10   44 o  147.863   4.8615  147.765   9.7142  159.265   14.404  138.171   13.157  153.109   6.9423  142.617   6.8075 10.49165 9.722997 
1 1 1  -15   10   45 o  183.150   5.5354  225.411   13.388  216.721   16.966  239.753   21.796  178.590   7.0102  187.709   8.5686 -9.118805 11.07082 
1 1 1  -15   10   46 o  286.166   6.1165  571.804   22.865  622.615   29.522  495.635   36.146  302.662   7.1979  269.669   9.8911 32.99316 12.23291 
1 1 1  -15   10   47 f  174.769   6.6521  210.478   15.572  184.877   22.851  232.671   21.276  164.645   10.242  184.893   8.4916 -20.24767 13.30425 
1 1 1  -15   10   48 o  113.733   7.3290   87.950   11.296   0.0000   0.0000   87.950   11.296  ?   ?   113.733   7.3290      ?      ? 
1 1 1  -15   10   49 o  223.536   5.9414  330.512   16.624  365.303   30.620  315.973   19.795  231.455   9.7625  215.616   6.7746 15.83914 11.88284 
1 1 1  -15   10   50 o  265.610   4.9842  479.424   17.928  485.995   25.900  473.379   24.841  267.343   7.1491  263.877   6.9469 3.466583 9.968369 
1 1 1  -15   10   51 o  299.214   5.1563  607.463   20.880  638.347   30.504  580.235   28.641  306.344   7.3478  292.084   7.2360 14.25961 10.31261 
1 1 1  -15   10   52 o  284.752   5.0950  551.531   19.649  551.242   28.258  551.802   27.342  284.661   7.3253  284.842   7.0834 -0.1814270 10.18991 
1 1 1  -15   10   53 o  133.150   6.7766  128.990   10.952  101.792   19.386  141.739   13.273  121.924   11.733  144.377   6.7838 -22.45340 13.55318 
1 1 1  -15   10   54 o  269.560   7.3430  495.826   26.796  466.199   37.166  527.898   38.670  261.160   10.502  277.959   10.266 -16.79849 14.68602 
1 1 1  -15   10   55 o  310.003   6.6195  657.964   26.385  662.628   32.602  649.110   44.921  311.958   7.7119  308.049   10.761 3.909576 13.23897 
1 1 1  -15   10   56 o  179.265   4.9640  217.990   12.018  226.405   17.874  211.048   16.236  182.390   7.2317  176.141   6.8019 6.249374 9.927934 
1 1 1  -15   10   57 o  126.439   5.4008  106.912   9.1556  131.378   13.969   88.489   12.122  138.909   7.4211  113.969   7.8488 24.93954 10.80169 
1 1 1  -15   10   58 o  130.628   5.4006  116.209   9.5219  116.583   14.120  115.896   12.895  130.790   7.9667  130.465   7.2937 0.3244171 10.80123 
1 1 1  -15   10   59 f  217.999   4.9640  323.942   14.645  313.391   21.042  333.854   20.395  214.520   7.2383  221.479   6.7951 -6.959244 9.928071 
1 1 1  -15   10   60 o  160.804   5.1020  176.375   11.095  171.833   16.089  180.493   15.321  158.796   7.4768  162.812   6.9439 -4.016098 10.20393 
1 1 1  -15   10   61 o  210.130   4.9709  300.528   14.137  305.638   20.593  295.973   19.441  211.795   7.1749  208.465   6.8818 3.329483 9.941758 
1 1 1  -15   10   62 o  113.838   5.7097   89.198   8.7261   81.574   12.894   95.641   11.853  109.243   8.7096  118.433   7.3855 -9.190475 11.41938 
1 1 1  -15   10   63 o   40.445   10.498   6.5396   7.0158   16.544   13.491   2.8311   8.2139   49.941   16.829   30.949   12.556 18.99237 20.99627 
1 1 1  -15   10   64 o   53.514   11.975   19.046   10.158   28.175   14.658   10.609   14.091   62.242   16.930   44.785   16.941 17.45650 23.94979 
1 1 1  -15   10   65 o  193.559   6.2686  254.843   15.641  250.522   19.269  263.189   26.779  191.505   7.4249  195.613   10.102 -4.108292 12.53721 
1 1 1  -15   10   66 o  133.771   6.3387  122.467   11.237  121.132   14.422  124.531   17.927  133.020   8.0006  134.522   9.8340 -1.501907 12.67739 
1 1 1  -15   10   67 o  129.148   6.3841  116.184   10.945  123.831   14.414  105.772   16.820  134.447   7.9115  123.849   10.022 10.59836 12.76828 
1 1 1  -15   10   68 o  143.557   5.3157  141.628   10.302  134.233   14.983  148.258   14.187  139.910   7.9027  147.204   7.1117 -7.294632 10.63150 
1 1 1  -15   10   69 o  109.707   7.6047   86.423   10.569   92.862   13.142   74.633   17.783  116.215   8.3450  103.199   12.716 13.01633 15.20940 
1 1 1  -15   10   70 o   96.331   6.0499   63.110   7.8389   71.035   12.014   57.234   10.344  101.494   8.7348   91.168   8.3730 10.32664 12.09972 
1 1 1  -15   10   71 o   80.099   6.7131   44.686   7.2158   42.741   10.847   46.229   9.6649   78.387   10.211   81.811   8.7177 -3.423500 13.42614 
1 1 1  -15   10   72 o  111.789   5.6686   86.190   8.5465   86.325   12.720   86.079   11.539  111.773   8.3980  111.806   7.6160 -0.3358459E-01 11.33710 
1 1 1  -15   10   73 o  123.487   6.7608  107.810   10.347  102.140   18.613  110.346   12.448  120.383   11.409  126.590   7.2564 -6.207047 13.52155 
1 1 1  -15   10   74 o   33.385   8.9600   3.9815   5.8081   11.455   9.2139  -0.9465   7.4819   40.873   13.907   25.898   11.302 14.97452 17.91997 
1 1 1  -15   10   75 o  110.515   5.5610   84.738   8.2859   83.828   12.314   85.491   11.201  109.840   8.2727  111.190   7.4339 -1.350319 11.12208 
1 1 1  -15   10   76 o  143.959   5.1736  142.877   10.068  152.158   14.893  135.066   13.663  148.204   7.4153  139.714   7.2164 8.490646 10.34717 
1 1 1  -15   10   77 o  133.336   6.6116  126.654   11.012  120.990   19.555  129.283   13.325  130.109   11.091  136.563   7.2003 -6.453888 13.22329 
1 1 1  -15   10   78 o   84.821   7.6054   47.920   8.2445   62.741   14.962   41.458   9.8798   93.093   11.860   76.550   9.5240 16.54259 15.21082 
1 1 1  -15   10   79 o   69.889   9.3106   38.409   7.9078   31.861   13.881   41.555   9.6219   63.190   16.149   76.588   9.2707 -13.39814 18.62128 
1 1 1  -15   10   80 o  116.486   7.5368  107.538   10.379   73.376   17.921  124.780   12.732   99.141   13.339  133.832   7.0202 -34.69093 15.07365 
1 1 1  -15   10   81 o   29.385   9.5082  -5.6219   8.5953  -1.6205   11.378 -10.9412   13.118   30.620   13.624   28.151   13.267 2.469810 19.01646 
1 1 1  -15   10   82 o   42.139   15.951   12.229   12.499   12.229   12.499   0.0000   0.0000   42.139   15.951  ?   ?       ?      ? 
1 1 1  -15   10   83 o   88.103   12.546   58.277   14.979   58.277   14.979   0.0000   0.0000   88.103   12.546  ?   ?       ?      ? 
1 1 1  -15   10   84 o   37.944   15.335   7.9787   12.203   7.9787   12.203   0.0000   0.0000   37.944   15.335  ?   ?       ?      ? 
1 1 1  -15   10   85 o   90.277   12.693   61.962   15.528   61.962   15.528   0.0000   0.0000   90.277   12.693  ?   ?       ?      ? 
1 1 1  -15   10   86 o   51.830   16.416   22.754   12.929   22.754   12.929   0.0000   0.0000   51.830   16.416  ?   ?       ?      ? 
1 1 1  -15   11    1 o  141.957   4.6005  135.385   8.7948  116.437   11.852  158.601   13.120  131.007   6.6761  152.907   6.3316 -21.90050 9.201061 
1 1 1  -15   11    2 o  302.627   7.0678  621.411   28.985   0.0000   0.0000  621.411   28.985  ?   ?   302.627   7.0678      ?      ? 
1 1 1  -15   11    3 o  302.697   7.0668  621.693   28.988   0.0000   0.0000  621.693   28.988  ?   ?   302.697   7.0668      ?      ? 
1 1 1  -15   11    4 o  323.879   5.0966  711.496   22.363  700.547   31.182  723.092   32.089  321.317   7.1612  326.440   7.2539 -5.123444 10.19321 
1 1 1  -15   11    5 o  298.359   4.9389  603.749   19.963  595.793   27.816  612.199   28.666  296.336   6.9267  300.382   7.0422 -4.045715 9.877834 
1 1 1  -15   11    6 o  243.425   4.6520  402.088   15.339  416.337   21.702  387.866   21.682  247.740   6.4643  239.110   6.6915 8.630615 9.303945 
1 1 1  -15   11    7 o  255.816   4.7171  443.971   16.346  460.576   23.212  427.634   23.023  260.566   6.5736  251.066   6.7668 9.500137 9.434115 
1 1 1  -15   11    8 o  239.013   6.6376  387.542   21.499   0.0000   0.0000  387.542   21.499  ?   ?   239.013   6.6376      ?      ? 
1 1 1  -15   11    9 o  225.087   5.0571  343.618   13.925  343.423   16.465  344.108   26.092  225.042   5.3991  225.131   8.5525 -0.8863831E-01 10.11414 
1 1 1  -15   11   10 o  301.144   5.4705  596.570   19.716  576.372   22.827  655.912   39.126  291.525   5.7781  310.763   9.2908 -19.23883 10.94096 
1 1 1  -15   11   11 o  330.729   6.1865  734.230   26.657  712.934   33.164  773.103   44.808  324.120   7.5507  337.337   9.8019 -13.21786 12.37293 
1 1 1  -15   11   12 o  311.426   6.0279  651.024   24.518  631.519   30.597  686.018   40.983  305.060   7.4014  317.792   9.5165 -12.73203 12.05590 
1 1 1  -15   11   13 o  286.720   5.5313  574.568   19.332  597.904   23.062  519.406   35.457  296.919   5.7315  276.522   9.4621 20.39737 11.06266 
1 1 1  -15   11   14 f  157.685   4.8200  163.493   9.5637  155.334   11.423  182.619   17.489  151.344   5.5697  164.026   7.8681 -12.68216 9.639963 
1 1 1  -15   11   15 o  230.281   5.0492  356.107   14.266  351.164   16.848  368.627   26.816  227.558   5.4637  233.004   8.4927 -5.446823 10.09836 
1 1 1  -15   11   16 o  257.579   5.2023  444.848   16.357  437.985   19.244  462.711   31.045  254.129   5.5881  261.028   8.7766 -6.899414 10.40458 
1 1 1  -15   11   17 o  149.492   4.9932  154.023   9.4255  158.449   11.506  144.991   16.435  152.851   5.5547  146.133   8.2991 6.718262 9.986500 
1 1 1  -15   11   18 o  313.250   5.9320  665.579   25.181  665.579   25.181   0.0000   0.0000  313.250   5.9320  ?   ?       ?      ? 
1 1 1  -15   11   19 o  230.989   5.5295  361.866   17.309  361.866   17.309   0.0000   0.0000  230.989   5.5295  ?   ?       ?      ? 
1 1 1  -15   11   20 o  173.777   4.9934  209.167   10.848  216.405   13.154  193.774   19.181  178.630   5.4339  168.923   8.3790 9.706955 9.986724 
1 1 1  -15   11   21 o  175.305   4.8584  205.024   10.671  199.547   12.763  217.753   19.455  171.527   5.4906  179.083   8.0169 -7.555237 9.716856 
1 1 1  -15   11   22 o  202.798   4.9867  278.798   12.547  278.318   14.979  279.928   22.968  202.572   5.4566  203.023   8.3483 -0.4507599 9.973407 
1 1 1  -15   11   23 o  295.794   5.5829  599.682   20.139  607.114   23.845  581.190   37.611  299.160   5.8817  292.428   9.4911 6.732269 11.16580 
1 1 1  -15   11   24 o  443.251   6.7993  1305.99   35.649  1276.19   41.114  1396.30   71.563  433.621   6.9968  452.881   11.661 -19.26062 13.59869 
1 1 1  -15   11   25 o  241.989   5.4670  419.316   16.260  455.782   19.782  343.383   28.546  259.212   5.6317  224.766   9.3720 34.44640 10.93390 
1 1 1  -15   11   26 o  279.390   5.5607  546.655   19.085  571.682   22.920  490.056   34.467  290.288   5.8263  268.491   9.4732 21.79727 11.12148 
1 1 1  -15   11   27 o  411.888   6.6026  1175.71   32.952  1204.91   38.992  1102.73   61.638  421.326   6.8293  402.450   11.302 18.87601 13.20511 
1 1 1  -15   11   28 o  371.775   6.2131  949.623   28.011  962.804   33.063  916.105   52.724  376.650   6.4778  366.900   10.604 9.750214 12.42627 
1 1 1  -15   11   29 o  221.311   5.0411  315.908   13.861  293.346   16.324  374.215   26.242  207.932   5.7934  234.689   8.2514 -26.75694 10.08213 
1 1 1  -15   11   30 o  202.482   5.7609  271.308   14.436  296.305   27.067  261.372   17.065  208.725   9.5693  196.239   6.4172 12.48660 11.52180 
1 1 1  -15   11   31 o  209.675   4.6480  298.620   13.188  294.596   19.096  302.289   18.235  208.313   6.7646  211.038   6.3760 -2.725189 9.295925 
1 1 1  -15   11   32 o  129.123   4.8750  113.423   8.4850  110.963   12.593  115.468   11.483  127.824   7.2699  130.423   6.4972 -2.599602 9.750095 
1 1 1  -15   11   33 o  107.015   5.1607   77.810   7.4183   77.575   11.252   77.991   9.8662  106.854   7.7707  107.175   6.7931 -0.3208923 10.32137 
1 1 1  -15   11   34 o  105.961   5.1732   75.494   7.3811   83.086   11.239   69.736   9.7878  110.591   7.4993  101.330   7.1279 9.260353 10.34639 
1 1 1  -15   11   35 o  188.187   4.6173  240.911   11.748  231.732   16.988  249.325   16.265  184.730   6.7863  191.645   6.2628 -6.915527 9.234553 
1 1 1  -15   11   36 o   42.064   9.6012   10.929   7.2950   19.279   9.0964  -4.1209   12.212   52.108   12.941   32.019   14.187 20.08960 19.20241 
1 1 1  -15   11   37 o  228.712   5.9745  357.846   17.391  362.012   21.288  349.488   30.156  230.872   6.8044  226.553   9.8225 4.318954 11.94910 
1 1 1  -15   11   38 o  266.217   4.8748  480.628   17.567  497.555   25.588  465.536   24.160  270.636   6.9769  261.799   6.8100 8.836914 9.749509 
1 1 1  -15   11   39 o  175.064   4.7109  207.040   11.143  223.444   16.545  193.420   15.076  181.372   6.7315  168.756   6.5923 12.61655 9.421846 
1 1 1  -15   11   40 o  167.691   4.7293  190.987   10.736  191.614   15.557  190.417   14.834  167.944   6.8357  167.437   6.5376 0.5065765 9.458691 
1 1 1  -15   11   41 o   81.139   6.9567   45.290   7.5731   49.389   10.339   40.545   11.124   85.177   8.9575   77.101   10.646 8.076447 13.91339 
1 1 1  -15   11   42 o  106.091   6.1423   77.055   8.7429   80.213   11.718   73.088   13.131  108.596   7.9625  103.586   9.3545 5.010353 12.28451 
1 1 1  -15   11   43 o  173.435   5.8572  202.450   12.927  211.163   22.788  198.316   15.697  176.034   9.5525  170.836   6.7806 5.198380 11.71442 
1 1 1  -15   11   44 o  218.017   4.8036  323.752   14.157  301.631   20.194  345.132   19.853  210.650   7.0742  225.385   6.5001 -14.73526 9.607121 
1 1 1  -15   11   45 o   92.314   6.2020   60.210   7.4620   44.024   11.011   73.956   10.147   80.332   10.115  104.295   7.1797 -23.96275 12.40402 
1 1 1  -15   11   46 o  162.878   6.1123  184.029   12.289  172.423   22.276  189.106   14.734  158.938   10.342  166.818   6.5175 -7.879974 12.22465 
1 1 1  -15   11   47 o  247.331   6.0173  391.964   18.446  478.042   35.253  359.514   21.645  264.709   9.8277  229.952   6.9461 34.75722 12.03458 
1 1 1  -15   11   48 o  251.397   4.9632  430.282   16.887  415.714   24.216  444.074   23.562  247.223   7.2282  255.572   6.8033 -8.349640 9.926337 
1 1 1  -15   11   49 f  112.373   5.6108   86.564   8.4448   81.605   12.746   90.444   11.275  109.438   8.5943  115.307   7.2155 -5.869339 11.22166 
1 1 1  -15   11   50 o  172.939   6.0831  201.115   13.107  210.704   24.050  197.063   15.633  175.643   10.104  170.234   6.7766 5.408997 12.16625 
1 1 1  -15   11   51 o  280.388   6.3965  544.238   22.596  513.916   39.569  558.909   27.525  274.151   10.651  286.626   7.0864 -12.47510 12.79293 
1 1 1  -15   11   52 o  224.509   6.4099  353.950   18.526  380.833   23.390  308.692   30.349  236.554   7.2965  212.464   10.541 24.08955 12.81978 
1 1 1  -15   11   53 o  117.460   7.0846   93.095   10.805   90.244   13.383   98.433   18.313  115.043   8.5844  119.877   11.273 -4.833748 14.16927 
1 1 1  -15   11   54 o  162.482   5.0500  178.399   11.064  192.435   16.689  167.391   14.779  168.125   7.3252  156.840   6.9536 11.28473 10.10004 
1 1 1  -15   11   55 o  231.678   7.1743  365.418   22.524  365.418   22.524   0.0000   0.0000  231.678   7.1743  ?   ?       ?      ? 
1 1 1  -15   11   56 o   99.736   6.0427   68.160   8.0717   65.915   12.282   69.867   10.709   98.227   9.2267  101.246   7.8055 -3.019577 12.08544 
1 1 1  -15   11   57 o  131.482   5.3243  117.435   9.4382  121.420   14.175  114.262   12.650  133.447   7.8386  129.516   7.2074 3.930618 10.64850 
1 1 1  -15   11   58 o   99.216   6.0511   67.494   8.0633   65.057   12.118   69.431   10.802   97.544   9.1671  100.887   7.9011 -3.342918 12.10219 
1 1 1  -15   11   59 f  147.626   5.1477  147.702   10.258  158.213   15.356  139.230   13.786  152.322   7.4391  142.931   7.1173 9.391541 10.29546 
1 1 1  -15   11   60 o  107.270   5.7786   78.911   8.3276   76.133   12.504   81.125   11.164  105.503   8.7455  109.037   7.5554 -3.533859 11.55717 
1 1 1  -15   11   61 o   88.667   6.7444   56.201   7.7526   42.933   11.863   66.093   10.243   78.956   11.087   98.378   7.6830 -19.42136 13.48886 
1 1 1  -15   11   62 o  140.041   6.3818  131.991   11.075  140.554   20.578  128.500   13.140  142.864   10.629  137.218   7.0663 5.646118 12.76359 
1 1 1  -15   11   63 o  127.831   5.4689  112.734   9.3634  104.112   14.027  119.665   12.576  123.277   8.3963  132.385   7.0099 -9.107880 10.93780 
1 1 1  -15   11   64 o   96.105   7.1532   63.781   9.2536   64.643   12.442   62.714   13.843   96.935   9.4716   95.275   10.722 1.659668 14.30639 
1 1 1  -15   11   65 o  113.766   6.5529   89.736   9.9209   92.817   13.001   85.440   15.350  116.307   8.2490  111.225   10.184 5.081917 13.10578 
1 1 1  -15   11   66 o   99.036   6.1160   65.801   8.0993   82.447   12.569   53.979   10.592  109.514   8.4691   88.558   8.8259 20.95605 12.23201 
1 1 1  -15   11   67 o  111.454   7.1457   87.553   10.320   91.654   13.022   80.628   16.920  115.421   8.3255  107.488   11.616 7.933136 14.29135 
1 1 1  -15   11   68 o   60.416   8.5776   28.903   6.9634   11.217   10.434   43.108   9.3506   41.798   14.768   79.035   8.7305 -37.23746 17.15526 
1 1 1  -15   11   69 o  145.185   6.4777  146.179   11.651  145.550   21.276  146.448   13.924  144.312   10.879  146.058   7.0347 -1.746506 12.95546 
1 1 1  -15   11   70 o   92.474   9.1467   60.482   11.423   67.879   16.738   54.034   15.628   97.844   12.624   87.104   13.240 10.74003 18.29346 
1 1 1  -15   11   71 o   91.638   9.2099   60.290   11.366   55.695   16.552   64.390   15.635   87.997   13.880   95.280   12.109 -7.282211 18.41982 
1 1 1  -15   11   72 o   87.952   6.4410   53.854   7.6062   54.520   11.591   53.349   10.080   88.267   9.6907   87.638   8.4875 0.6283569 12.88206 
1 1 1  -15   11   73 o   49.707   9.2288   18.599   6.2970   16.804   9.4858   20.013   8.4198   47.481   13.872   51.933   12.175 -4.451809 18.45760 
1 1 1  -15   11   74 o   92.930   6.1137   60.363   7.6758   59.983   11.278   60.691   10.477   92.542   8.9931   93.318   8.2847 -0.7751465 12.22748 
1 1 1  -15   11   75 o   58.535   9.7177   27.980   7.4493   18.360   13.439   32.247   8.9500   49.535   16.796   67.535   9.7794 -17.99992 19.43548 
1 1 1  -15   11   76 o  110.756   6.7015   82.275   9.4217  100.098   17.165   74.590   11.271  118.234   10.714  103.277   8.0535 14.95625 13.40293 
1 1 1  -15   11   77 o   87.249   8.4077   59.340   8.6364   46.839   14.989   65.553   10.567   77.810   14.755   96.688   8.0646 -18.87796 16.81542 
1 1 1  -15   11   78 o   37.085   10.066   6.9310   6.5986   13.192   12.220   4.3538   7.8400   43.281   15.891   30.889   12.359 12.39202 20.13107 
1 1 1  -15   11   79 o   63.859   11.652   32.742   10.102   28.116   13.324   38.996   15.492   58.736   16.210   68.981   16.742 -10.24482 23.30338 
1 1 1  -15   11   80 f   28.017   9.1771  -7.5228   8.4155  -2.5088   11.063 -14.4069   12.964   29.557   13.272   26.476   12.678 3.080544 18.35419 
1 1 1  -15   11   81 o   75.872   14.146   45.254   14.009   45.254   14.009   0.0000   0.0000   75.872   14.146  ?   ?       ?      ? 
1 1 1  -15   11   82 o   32.564   14.073   1.8758   11.371   1.8758   11.371   0.0000   0.0000   32.564   14.073  ?   ?       ?      ? 
1 1 1  -15   11   83 o   63.728   15.829   33.783   13.608   33.783   13.608   0.0000   0.0000   63.728   15.829  ?   ?       ?      ? 
1 1 1  -15   11   84 o   79.737   14.217   50.785   14.798   50.785   14.798   0.0000   0.0000   79.737   14.217  ?   ?       ?      ? 
1 1 1  -15   11   85 o   52.262   16.542   23.477   13.130   23.477   13.130   0.0000   0.0000   52.262   16.542  ?   ?       ?      ? 
1 1 1  -15   12    1 o  292.220   7.0659  579.682   27.981   0.0000   0.0000  579.682   27.981  ?   ?   292.220   7.0659      ?      ? 
1 1 1  -15   12    2 o  186.290   6.6069  235.528   16.679   0.0000   0.0000  235.528   16.679  ?   ?   186.290   6.6069      ?      ? 
1 1 1  -15   12    3 o  360.625   7.6968  883.118   37.614   0.0000   0.0000  883.118   37.614  ?   ?   360.625   7.6968      ?      ? 
1 1 1  -15   12    4 o  399.548   5.6805  1084.33   30.754  1094.38   43.349  1074.14   43.639  401.421   7.9688  397.676   8.0976 3.744781 11.36103 
1 1 1  -15   12    5 o  164.822   4.6368  183.641   10.332  167.486   14.158  202.045   15.112  157.094   6.6508  172.550   6.4628 -15.45578 9.273651 
1 1 1  -15   12    6 o  232.789   6.6706  367.778   21.043   0.0000   0.0000  367.778   21.043  ?   ?   232.789   6.6706      ?      ? 
1 1 1  -15   12    7 f  446.480   6.0679  1353.51   36.701  1322.52   51.097  1386.53   52.748  441.210   8.5461  451.751   8.6164 -10.54108 12.13585 
1 1 1  -15   12    8 o  447.955   7.5607  1355.28   42.875  1393.45   76.085  1337.51   51.901  452.219   12.416  443.691   8.6320 8.527771 15.12139 
1 1 1  -15   12    9 o  234.137   6.6619  374.921   20.946  353.239   31.269  392.570   28.212  227.900   10.125  240.373   8.6609 -12.47365 13.32379 
1 1 1  -15   12   10 o  172.633   4.9479  198.891   10.562  194.172   12.512  210.587   19.697  169.192   5.4573  176.074   8.2550 -6.882889 9.895836 
1 1 1  -15   12   11 o  378.875   6.2790  986.633   28.588  1000.04   33.557  951.143   54.589  383.884   6.4506  373.867   10.775 10.01645 12.55809 
1 1 1  -15   12   12 o  370.117   6.1663  931.404   27.386  932.108   32.014  929.485   52.880  370.620   6.3743  369.613   10.557 1.007080 12.33252 
1 1 1  -15   12   13 f  186.432   4.9334  229.796   11.419  221.166   13.529  251.179   21.296  180.565   5.5290  192.298   8.1722 -11.73206 9.866811 
1 1 1  -15   12   14 o  289.580   5.4893  567.143   19.230  564.317   22.555  574.665   36.798  288.411   5.7709  290.748   9.3395 -2.336853 10.97857 
1 1 1  -15   12   15 o  152.012   5.5969  156.756   11.529  156.756   11.529   0.0000   0.0000  152.012   5.5969  ?   ?       ?      ? 
1 1 1  -15   12   16 o  216.943   5.5019  319.264   16.175  319.264   16.175   0.0000   0.0000  216.943   5.5019  ?   ?       ?      ? 
1 1 1  -15   12   17 o  332.713   6.4374  771.273   28.154  850.958   36.880  659.970   43.587  353.979   7.6882  311.447   10.327 42.53210 12.87487 
1 1 1  -15   12   18 o  397.921   6.3686  1041.72   29.925  1007.75   34.407  1147.22   60.639  385.326   6.5893  410.516   10.900 -25.18991 12.73721 
1 1 1  -15   12   19 o  214.444   5.2132  319.048   13.729  328.942   16.415  296.011   25.048  220.201   5.5009  208.687   8.8572 11.51445 10.42635 
1 1 1  -15   12   20 o  164.298   5.0249  184.825   10.329  187.377   12.461  179.222   18.464  166.192   5.5331  162.404   8.3896 3.787949 10.04988 
1 1 1  -15   12   21 o  108.630   5.3940   80.004   7.5398   79.688   9.2953   80.612   12.892  108.357   6.3303  108.903   8.7355 -0.5450974 10.78802 
1 1 1  -15   12   22 o  130.943   5.1012  114.651   8.5585  111.144   10.439  121.845   14.949  127.978   6.0191  133.908   8.2378 -5.930565 10.20247 
1 1 1  -15   12   23 o  180.495   5.0205  221.052   11.392  220.768   13.746  221.674   20.360  180.384   5.6233  180.607   8.3187 -0.2237396 10.04103 
1 1 1  -15   12   24 o  154.629   5.0866  164.238   9.9269  167.637   12.087  157.193   17.401  157.182   5.6744  152.077   8.4438 5.105072 10.17327 
1 1 1  -15   12   25 o  193.446   4.9827  248.756   12.028  240.794   14.322  267.812   22.156  188.383   5.6101  198.509   8.2364 -10.12643 9.965501 
1 1 1  -15   12   26 o  138.559   5.1526  131.225   9.0998  132.874   11.156  127.946   15.729  139.927   5.8835  137.191   8.4606 2.735245 10.30522 
1 1 1  -15   12   27 o  146.874   5.5940  145.925   11.056  141.237   14.690  152.051   16.792  144.186   7.5182  149.562   8.2853 -5.376007 11.18796 
1 1 1  -15   12   28 o  156.827   5.6596  168.474   11.884  177.158   15.888  157.443   17.907  161.494   7.2599  152.160   8.6843 9.333740 11.31914 
1 1 1  -15   12   29 o  217.451   5.1061  315.500   13.762  307.437   16.326  335.292   25.578  212.843   5.6603  222.058   8.5000 -9.214218 10.21220 
1 1 1  -15   12   30 o  174.472   5.0618  204.415   11.138  200.433   13.417  213.245   19.977  171.848   5.7614  177.095   8.3243 -5.246780 10.12363 
1 1 1  -15   12   31 o  208.256   5.1461  293.011   13.317  290.542   15.892  298.832   24.402  206.903   5.6680  209.609   8.5908 -2.705734 10.29219 
1 1 1  -15   12   32 o  147.461   5.1922  145.613   9.7837  141.507   11.907  154.148   17.166  144.373   6.0860  150.549   8.4141 -6.176193 10.38444 
1 1 1  -15   12   33 o  152.901   7.0682  158.838   14.645  158.838   14.645   0.0000   0.0000  152.901   7.0682  ?   ?       ?      ? 
1 1 1  -15   12   34 o  146.204   6.2402  142.805   11.596  138.045   14.026  153.090   20.616  142.526   7.2619  149.882   10.150 -7.355606 12.48035 
1 1 1  -15   12   35 o  249.152   9.0726  422.605   30.632   0.0000   0.0000  422.605   30.632  ?   ?   249.152   9.0726      ?      ? 
1 1 1  -15   12   36 o  303.312   6.0495  616.150   23.830  592.788   29.473  660.257   40.497  295.310   7.3648  311.314   9.5993 -16.00485 12.09900 
1 1 1  -15   12   37 o  239.028   5.6941  386.189   17.893  378.742   22.600  398.698   29.291  236.068   7.0646  241.988   8.9321 -5.920197 11.38819 
1 1 1  -15   12   38 o  296.323   7.0454  597.948   28.235  609.342   41.424  588.062   38.587  298.908   10.227  293.739   9.6938 5.168762 14.09088 
1 1 1  -15   12   39 o  212.641   4.8488  306.511   13.932  317.269   20.629  297.489   18.892  216.045   7.0462  209.237   6.6628 6.807800 9.697516 
1 1 1  -15   12   40 o  169.528   4.8349  196.054   11.064  184.295   16.054  206.691   15.268  164.640   7.1956  174.415   6.4598 -9.774918 9.669793 
1 1 1  -15   12   41 o  135.645   5.0257  124.769   9.1906  128.235   13.793  122.001   12.325  137.314   7.4123  133.975   6.7889 3.338928 10.05141 
1 1 1  -15   12   42 o  185.227   4.8134  233.359   12.049  231.328   17.662  235.126   16.480  184.450   7.0661  186.005   6.5379 -1.555008 9.626709 
1 1 1  -15   12   43 o  164.879   7.3841  184.922   16.499  184.922   16.499   0.0000   0.0000  164.879   7.3841  ?   ?       ?      ? 
1 1 1  -15   12   44 o  353.581   6.8165  857.168   30.413  841.180   53.652  864.738   36.918  350.690   11.290  356.473   7.6423 -5.782898 13.63304 
1 1 1  -15   12   45 o  298.443   6.4888  620.471   24.408  570.609   42.394  645.195   29.852  288.906   10.828  307.980   7.1528 -19.07358 12.97758 
1 1 1  -15   12   46 o   79.780   9.5729   50.880   8.3727   32.920   16.106   57.530   9.8011   67.638   17.454   91.922   7.8681 -24.28349 19.14590 
1 1 1  -15   12   47 o  131.436   6.7297  115.479   10.712  123.352   20.707  112.602   12.517  134.225   11.384  128.646   7.1801 5.579926 13.45934 
1 1 1  -15   12   48 o   37.138   10.666   2.2978   6.9097   10.513   15.630   0.3024   7.7032   46.444   17.776   27.832   11.793 18.61190 21.33207 
1 1 1  -15   12   49 o  125.318   5.3529  105.836   9.0255  115.930   13.803   98.296   11.929  130.465   7.8072  120.171   7.3253 10.29382 10.70571 
1 1 1  -15   12   50 o  168.477   6.3754  198.021   13.764  208.139   17.157  179.752   23.054  174.863   7.2405  162.091   10.496 12.77184 12.75073 
1 1 1  -15   12   51 o  230.139   4.9780  360.416   15.515  362.612   22.370  358.380   21.538  230.798   7.1523  229.480   6.9259 1.317276 9.956077 
1 1 1  -15   12   52 o  119.723   5.5871   98.112   8.9844   94.302   13.488  101.151   12.046  117.573   8.4657  121.874   7.2935 -4.301125 11.17422 
1 1 1  -15   12   53 o  105.110   8.8322   75.441   12.580   75.441   12.580   0.0000   0.0000  105.110   8.8322  ?   ?       ?      ? 
1 1 1  -15   12   54 o   88.537   6.4356   52.528   7.6429   61.665   11.869   46.056   9.9898   94.976   9.2218   82.099   8.9791 12.87723 12.87114 
1 1 1  -15   12   55 o   70.751   7.6578   33.474   7.0360   44.518   11.210   26.295   9.0378   80.587   10.265   60.915   11.367 19.67219 15.31568 
1 1 1  -15   12   56 o  108.517   5.7240   79.665   8.3491   86.040   12.817   74.966   11.004  112.218   8.4286  104.815   7.7471 7.402519 11.44808 
1 1 1  -15   12   57 o  131.668   5.3569  118.876   9.4782  113.467   14.166  123.260   12.753  128.874   8.1116  134.462   6.9990 -5.587769 10.71377 
1 1 1  -15   12   58 o  142.887   5.2602  140.976   10.056  126.158   14.947  153.227   13.592  135.847   8.1196  149.927   6.6897 -14.07982 10.52043 
1 1 1  -15   12   59 o   95.301   6.3393   60.589   8.0471   71.505   12.919   53.668   10.286  102.079   9.3392   88.523   8.5748 13.55543 12.67863 
1 1 1  -15   12   60 o  116.918   7.0184   94.684   9.9902   92.623   18.713   95.506   11.815  115.621   11.943  118.216   7.3751 -2.595657 14.03672 
1 1 1  -15   12   61 o  151.076   5.2222  154.515   10.634  172.392   16.076  140.606   14.180  158.750   7.4727  143.401   7.2969 15.34874 10.44444 
1 1 1  -15   12   62 o   99.551   6.9466   67.593   9.3055   62.203   12.301   74.803   14.228   95.011   9.5543  104.092   10.086 -9.080315 13.89318 
1 1 1  -15   12   63 o  134.000   5.4476  122.152   9.8510  137.975   14.656  109.112   13.305  141.870   7.6233  126.130   7.7839 15.73956 10.89517 
1 1 1  -15   12   64 o   89.157   6.4219   55.468   7.6109   51.125   11.692   58.660   10.026   85.918   10.042   92.397   8.0071 -6.479469 12.84384 
1 1 1  -15   12   65 o   96.234   7.8517   65.382   9.7484   67.358   12.184   61.867   16.251   98.731   9.1065   93.738   12.793 4.993256 15.70337 
1 1 1  -15   12   66 o  121.591   5.5209  101.158   9.0526  107.732   13.634   95.975   12.107  125.044   8.0458  118.138   7.5622 6.905975 11.04185 
1 1 1  -15   12   67 o   96.993   6.1709   66.335   7.9522   55.096   11.717   75.931   10.827   88.987   9.7168  104.999   7.6095 -16.01204 12.34179 
1 1 1  -15   12   68 o   94.681   6.2712   61.524   8.0002   69.557   12.109   55.301   10.657  100.089   8.9277   89.273   8.8094 10.81535 12.54234 
1 1 1  -15   12   69 o  122.683   7.1414  109.950   10.698   94.370   19.143  117.025   12.900  115.117   12.271  130.248   7.3088 -15.13047 14.28272 
1 1 1  -15   12   70 o  136.988   5.5132  132.194   10.011  102.884   14.333  160.112   13.988  121.538   8.7023  152.438   6.7714 -30.89935 11.02641 
1 1 1  -15   12   71 o   97.171   6.2019   66.546   8.0817   60.151   11.920   71.987   10.995   92.557   9.5034  101.784   7.9710 -9.226616 12.40371 
1 1 1  -15   12   72 o   90.109   6.3174   56.534   7.6847   61.737   11.495   52.329   10.333   93.794   9.0440   86.425   8.8228 7.369247 12.63472 
1 1 1  -15   12   73 o   47.507   10.663   15.744   7.1665   21.199   13.346   13.534   8.4951   52.291   16.691   42.724   13.274 9.566517 21.32612 
1 1 1  -15   12   74 o   51.980   10.255   20.980   7.1720   19.868   13.025   21.463   8.5919   50.608   16.519   53.353   12.155 -2.745575 20.50914 
1 1 1  -15   12   75 o   33.357   9.5684   4.9730   6.6046   0.5999   11.845   6.9462   7.9562   32.807   14.270   33.908   12.751 -1.100975 19.13677 
1 1 1  -15   12   76 o   43.849   10.444   4.9648   9.2434 -12.9761   11.976   31.397   14.537   25.818   12.314   61.881   16.871 -36.06277 20.88718 
1 1 1  -15   12   77 o   62.873   11.456   31.064   10.209   19.172   13.530   46.783   15.556   49.187   16.852   76.559   15.525 -27.37175 22.91295 
1 1 1  -15   12   78 f   59.665   11.811   28.530   10.262   18.607   13.664   41.368   15.542   48.423   16.916   70.907   16.487 -22.48491 23.62136 
1 1 1  -15   12   79 o   54.355   16.573   24.616   13.315   24.616   13.315   0.0000   0.0000   54.355   16.573  ?   ?       ?      ? 
1 1 1  -15   12   80 o   29.006   13.194  -3.7631   11.360  -3.7631   11.360   0.0000   0.0000   29.006   13.194  ?   ?       ?      ? 
1 1 1  -15   12   81 f   79.393   14.498   50.423   15.023   50.423   15.023   0.0000   0.0000   79.393   14.498  ?   ?       ?      ? 
1 1 1  -15   12   82 o   35.972   15.061   5.7431   12.324   5.7431   12.324   0.0000   0.0000   35.972   15.061  ?   ?       ?      ? 
1 1 1  -15   12   83 o   34.749   14.860   4.1353   12.429   4.1353   12.429   0.0000   0.0000   34.749   14.860  ?   ?       ?      ? 
1 1 1  -15   13    1 o  257.949   4.8051  451.277   16.780  440.120   23.122  463.690   24.389  254.593   6.7019  261.306   6.8876 -6.712616 9.610126 
1 1 1  -15   13    2 o  169.772   4.6243  196.110   10.614  204.064   14.715  187.483   15.324  173.383   6.2629  166.162   6.8054 7.221054 9.248655 
1 1 1  -15   13    3 o  270.529   6.2194  501.005   21.262  488.399   37.358  507.045   25.858  267.815   10.294  273.244   6.9834 -5.429474 12.43889 
1 1 1  -15   13    4 o  316.621   6.4987  684.735   26.114  673.868   45.619  690.032   31.848  314.523   10.703  318.719   7.3739 -4.195465 12.99732 
1 1 1  -15   13    5 o  314.261   6.4471  670.288   25.692  675.909   45.232  667.611   31.216  315.019   10.596  313.502   7.3477 1.516663 12.89412 
1 1 1  -15   13    6 o  200.828   4.6489  273.947   12.637  276.545   17.504  271.118   18.264  201.834   6.3998  199.823   6.7448 2.011230 9.297816 
1 1 1  -15   13    7 f  185.643   6.7385  234.004   16.952   0.0000   0.0000  234.004   16.952  ?   ?   185.643   6.7385      ?      ? 
1 1 1  -15   13    8 o  193.244   4.6354  253.547   12.132  254.055   16.892  253.005   17.436  193.451   6.4435  193.037   6.6655 0.4131470 9.270764 
1 1 1  -15   13    9 o  185.649   4.6919  234.090   11.798  237.248   16.495  230.783   16.881  186.938   6.5114  184.360   6.7570 2.578247 9.383797 
1 1 1  -15   13   10 o  304.941   5.6693  627.731   20.700  622.997   24.118  640.971   40.334  302.983   5.8742  306.898   9.6983 -3.915497 11.33858 
1 1 1  -15   13   11 o  318.227   5.8095  677.630   21.900  666.610   25.314  710.414   43.663  313.401   5.9604  323.053   9.9737 -9.652130 11.61899 
1 1 1  -15   13   12 o  277.050   5.7075  520.873   21.428  520.873   21.428   0.0000   0.0000  277.050   5.7075  ?   ?       ?      ? 
1 1 1  -15   13   13 o  178.043   5.0914  208.745   11.069  200.699   12.959  230.448   21.283  171.980   5.5604  184.105   8.5306 -12.12466 10.18278 
1 1 1  -15   13   14 o  252.537   5.4721  449.413   16.782  471.922   20.029  396.371   30.746  263.715   5.6045  241.359   9.4003 22.35536 10.94421 
1 1 1  -15   13   15 o  377.677   6.2553  961.321   28.210  951.670   32.799  988.750   55.295  374.397   6.4646  380.957   10.711 -6.560364 12.51058 
1 1 1  -15   13   16 o  295.064   6.0903  598.336   23.637  620.139   30.317  564.541   37.745  302.129   7.4047  287.999   9.6714 14.13025 12.18053 
1 1 1  -15   13   17 o  263.521   5.5026  483.892   17.679  500.555   21.057  444.089   32.544  271.583   5.7216  255.460   9.4009 16.12308 11.00521 
1 1 1  -15   13   18 o  252.197   5.3761  435.351   16.568  439.602   19.630  424.824   30.891  254.511   5.6915  249.883   9.1224 4.627548 10.75222 
1 1 1  -15   13   19 o  270.663   5.3984  484.464   17.688  468.943   20.626  527.605   34.388  262.857   5.7905  278.469   9.1128 -15.61221 10.79690 
1 1 1  -15   13   20 o  212.148   5.2331  310.216   13.692  316.752   16.374  295.023   24.966  216.042   5.5929  208.253   8.8466 7.789520 10.46625 
1 1 1  -15   13   21 o  255.180   5.9411  453.791   19.971  504.966   26.348  384.686   30.617  272.638   7.1314  237.722   9.5041 34.91621 11.88212 
1 1 1  -15   13   22 o  158.674   5.0161  161.568   10.045  146.857   11.946  197.093   18.563  147.083   5.9933  170.265   8.0452 -23.18166 10.03219 
1 1 1  -15   13   23 o  251.234   5.7467  427.215   18.922  421.603   23.820  436.812   31.148  249.116   7.0561  253.352   9.0725 -4.235397 11.49340 
1 1 1  -15   13   24 o  408.166   7.0178  1092.76   36.707  1013.58   44.426  1263.11   65.163  386.019   8.4927  430.313   11.175 -44.29440 14.03567 
1 1 1  -15   13   25 o  258.229   6.8433  455.719   23.833  435.053   34.975  473.634   32.564  252.669   10.215  263.789   9.1097 -11.11986 13.68662 
1 1 1  -15   13   26 o  303.828   6.1096  636.349   24.185  660.153   30.607  596.782   39.461  311.679   7.2466  295.976   9.8385 15.70316 12.21924 
1 1 1  -15   13   27 o  189.855   5.5786  248.640   13.937  261.560   17.973  229.153   22.072  196.220   6.7591  183.489   8.8767 12.73074 11.15713 
1 1 1  -15   13   28 o   82.996   6.8826   46.935   7.7251   46.997   10.596   46.866   11.287   83.069   9.4129   82.923   10.044 0.1455231 13.76526 
1 1 1  -15   13   29 o  213.710   8.7636  310.872   25.380   0.0000   0.0000  310.872   25.380  ?   ?   213.710   8.7636      ?      ? 
1 1 1  -15   13   30 o  219.534   5.3154  327.301   14.593  326.702   17.530  328.652   26.336  219.352   5.8975  219.716   8.8450 -0.3642731 10.63083 
1 1 1  -15   13   31 o  240.354   5.8563  392.265   19.075  392.265   19.075   0.0000   0.0000  240.354   5.8563  ?   ?       ?      ? 
1 1 1  -15   13   32 o  231.244   5.4988  373.080   15.737  387.966   18.968  340.204   28.189  239.027   5.8559  223.461   9.3089 15.56664 10.99765 
1 1 1  -15   13   33 o  130.078   6.7938  114.517   11.827  120.370   18.416  110.409   15.429  132.835   10.230  127.321   8.9423 5.513054 13.58766 
1 1 1  -15   13   34 f  211.419   5.6921  303.700   16.000  301.782   20.683  306.559   25.247  210.675   7.2448  212.163   8.7814 -1.487534 11.38423 
1 1 1  -15   13   35 o  251.001   5.4542  423.527   16.825  416.725   19.885  440.669   31.565  247.702   5.9239  254.298   9.1597 -6.595856 10.90838 
1 1 1  -15   13   36 o  262.047   5.5920  476.983   18.076  491.662   21.681  443.516   32.737  269.043   5.9467  255.050   9.4719 13.99373 11.18396 
1 1 1  -15   13   37 o  264.502   4.9802  476.041   17.835  466.373   25.609  485.145   24.852  261.870   7.2165  267.135   6.8652 -5.265198 9.960383 
1 1 1  -15   13   38 o  169.454   4.8766  194.251   11.152  205.721   16.707  185.032   14.978  173.927   7.0885  164.982   6.6992 8.945267 9.753234 
1 1 1  -15   13   39 o  158.180   4.9644  168.525   10.580  185.513   16.050  155.471   14.070  165.149   7.1718  151.211   6.8664 13.93820 9.928838 
1 1 1  -15   13   40 o  181.158   4.9479  224.094   12.077  213.555   17.814  233.057   16.428  177.159   7.4201  185.158   6.5473 -7.998795 9.895729 
1 1 1  -15   13   41 f  336.433   6.6889  782.737   28.443  742.767   49.575  802.351   34.727  329.500   11.103  343.366   7.4633 -13.86542 13.37789 
1 1 1  -15   13   42 o   92.798   8.1832   58.663   10.291   0.0000   0.0000   58.663   10.291  ?   ?    92.798   8.1832      ?      ? 
1 1 1  -15   13   43 o  131.622   6.6742   99.294   10.481  162.023   22.257   81.419   11.881  153.915   10.671  109.329   8.0193 44.58584 13.34839 
1 1 1  -15   13   44 o  131.563   6.9632  117.761   12.414   0.0000   0.0000  117.761   12.414  ?   ?   131.563   6.9632      ?      ? 
1 1 1  -15   13   45 o  135.278   5.3046  126.181   9.5879  112.379   14.303  137.443   12.920  128.409   8.2198  142.147   6.7075 -13.73795 10.60922 
1 1 1  -15   13   46 o   50.411   9.4293   18.529   6.4912   15.113   10.607   20.574   8.2073   47.050   14.866   53.771   11.604 -6.721233 18.85852 
1 1 1  -15   13   47 f  113.099   5.7595   84.752   8.6758  110.611   13.502   66.567   11.323  127.408   7.8201   98.791   8.4577 28.61681 11.51896 
1 1 1  -15   13   48 o   63.882   10.531   29.205   8.7728   28.920   11.185   29.662   14.143   63.630   13.395   64.134   16.253 -0.5034256 21.06105 
1 1 1  -15   13   49 o  107.491   5.8200   78.033   8.4221   85.640   12.839   72.287   11.159  112.023   8.4573  102.959   7.9977 9.064072 11.63993 
1 1 1  -15   13   50 o  130.506   5.4025  114.778   9.4950  128.666   14.442  104.205   12.601  137.367   7.7581  123.646   7.5207 13.72184 10.80502 
1 1 1  -15   13   51 o  111.444   5.8125   85.516   8.6594   79.698   13.112   90.017   11.532  107.975   8.9612  114.913   7.4054 -6.937859 11.62509 
1 1 1  -15   13   52 o  154.804   5.1071  163.256   10.659  164.466   15.921  162.273   14.351  155.278   7.5662  154.331   6.8617 0.9477234 10.21421 
1 1 1  -15   13   53 o  153.746   5.1167  161.682   10.603  156.124   15.678  166.366   14.393  151.246   7.6494  156.247   6.7977 -5.000961 10.23338 
1 1 1  -15   13   54 o  154.989   5.1368  163.459   10.735  168.228   16.100  159.641   14.404  156.973   7.5685  153.005   6.9471 3.967285 10.27352 
1 1 1  -15   13   55 o  145.839   7.0143  145.124   13.863   0.0000   0.0000  145.124   13.863  ?   ?   145.839   7.0143      ?      ? 
1 1 1  -15   13   56 o   57.528   9.0905   23.939   6.8196   23.145   10.684   24.485   8.8594   56.514   14.018   58.541   11.578 -2.027908 18.18110 
1 1 1  -15   13   57 o  179.473   6.0328  208.436   13.489  252.803   25.502  191.201   15.895  191.639   9.8199  167.306   7.0106 24.33206 12.06561 
1 1 1  -15   13   58 o   43.243   10.689   11.379   8.3724   0.4308   13.579   18.094   10.634   36.292   15.526   50.193   14.695 -13.90076 21.37764 
1 1 1  -15   13   59 o  147.769   6.0592  148.134   11.969  139.171   15.509  161.337   18.822  142.436   8.0348  153.103   9.0717 -10.66672 12.11835 
1 1 1  -15   13   60 o  146.571   7.8077  147.407   15.508  147.407   15.508   0.0000   0.0000  146.571   7.8077  ?   ?       ?      ? 
1 1 1  -15   13   61 o  132.064   5.4309  120.206   9.6187  116.279   14.556  123.250   12.816  130.006   8.2620  134.122   7.0510 -4.116196 10.86178 
1 1 1  -15   13   62 o   40.774   9.5928   9.5234   6.3480   17.842   10.289   4.4104   8.0662   49.497   14.444   32.051   12.628 17.44609 19.18556 
1 1 1  -15   13   63 o   74.659   9.3202   40.819   8.8231   42.898   11.185   37.394   14.356   78.427   10.524   70.892   15.385 7.535080 18.64037 
1 1 1  -15   13   64 o  103.954   5.9949   74.864   8.3714   73.706   12.643   75.768   11.171  103.090   9.0502  104.818   7.8644 -1.727936 11.98975 
1 1 1  -15   13   65 o  150.026   5.3043  156.323   10.694  143.440   15.742  167.362   14.572  144.042   8.0645  156.010   6.8927 -11.96788 10.60868 
1 1 1  -15   13   66 o   78.983   9.3673   46.272   8.4158   43.607   16.486   47.211   9.7870   75.559   16.558   82.406   8.7641 -6.847115 18.73469 
1 1 1  -15   13   67 o   93.572   8.7419   66.682   9.2066   55.967   17.528   70.765   10.819   86.103   15.596  101.041   7.9017 -14.93867 17.48376 
1 1 1  -15   13   68 o   96.095   6.0440   63.435   7.8115   73.400   11.939   55.976   10.329  102.582   8.5884   89.608   8.5063 12.97440 12.08790 
1 1 1  -15   13   69 o   56.492   8.7827   23.737   6.5019   24.728   9.8339   22.967   8.6666   57.360   12.957   55.624   11.860 1.735847 17.56536 
1 1 1  -15   13   70 o   83.006   6.5981   48.389   7.3975   50.973   11.009   46.261   9.9890   84.936   9.5644   81.076   9.0917 3.859955 13.19612 
1 1 1  -15   13   71 o  103.933   7.7422   82.689   9.5961   65.329   17.258   90.459   11.545   93.922   13.560  113.945   7.4771 -20.02277 15.48446 
1 1 1  -15   13   72 o   83.794   8.4742   52.470   8.5255   49.776   15.256   53.693   10.280   80.347   14.548   87.241   8.6957 -6.894699 16.94840 
1 1 1  -15   13   73 o   55.088   10.322   22.451   7.3048   28.179   13.530   20.095   8.6782   58.967   16.358   51.208   12.593 7.758446 20.64428 
1 1 1  -15   13   74 o   64.088   9.7911   35.886   7.9347   20.709   14.331   42.595   9.5284   50.840   17.344   77.337   9.0918 -26.49702 19.58226 
1 1 1  -15   13   75 o   56.680   10.214   25.562   7.4437   24.999   13.663   25.800   8.8767   54.993   16.793   58.367   11.631 -3.373299 20.42761 
1 1 1  -15   13   76 o   50.847   11.963   21.218   9.8582   25.694   13.456   16.032   14.484   55.561   16.598   46.132   17.232 9.428730 23.92587 
1 1 1  -15   13   77 o   62.545   16.407   32.715   14.079   32.715   14.079   0.0000   0.0000   62.545   16.407  ?   ?       ?      ? 
1 1 1  -15   13   78 o   41.529   15.893   12.125   12.495   12.125   12.495   0.0000   0.0000   41.529   15.893  ?   ?       ?      ? 
1 1 1  -15   13   79 o   33.700   14.390   3.4006   11.625   3.4006   11.625   0.0000   0.0000   33.700   14.390  ?   ?       ?      ? 
1 1 1  -15   13   80 o   61.613   16.034   32.200   13.517   32.200   13.517   0.0000   0.0000   61.613   16.034  ?   ?       ?      ? 
1 1 1  -15   13   81 o   70.382   15.197   41.190   14.070   41.190   14.070   0.0000   0.0000   70.382   15.197  ?   ?       ?      ? 
1 1 1  -15   14    1 f  236.799   7.2919  382.211   23.371  380.336   32.229  384.291   33.939  236.221   10.068  237.377   10.551 -1.156113 14.58375 
1 1 1  -15   14    2 o  163.079   4.8075  179.045   10.576  162.303   14.177  200.049   15.880  154.564   6.7686  171.594   6.8290 -17.03000 9.615073 
1 1 1  -15   14    3 o  207.928   4.7205  293.011   13.281  281.864   18.176  305.777   19.452  203.703   6.5845  212.153   6.7660 -8.450104 9.441097 
1 1 1  -15   14    4 o  198.467   4.7057  266.338   12.626  248.575   17.167  287.270   18.636  191.295   6.6222  205.640   6.6874 -14.34566 9.411418 
1 1 1  -15   14    5 o  206.776   4.7106  291.115   13.161  314.858   18.544  267.012   18.683  215.316   6.3553  198.237   6.9549 17.07903 9.421215 
1 1 1  -15   14    6 o   60.981   7.3775   26.297   5.8407   30.199   7.9477   21.715   8.6125   66.612   8.8045   55.350   11.840 11.26200 14.75510 
1 1 1  -15   14    7 o  117.581   7.1816   93.744   9.6500   93.327   10.998   95.141   20.116  117.200   6.9249  117.962   12.584 -0.7613220 14.36330 
1 1 1  -15   14    8 o  129.914   6.8845  116.845   10.338  118.623   11.902  111.383   20.864  132.147   6.6465  127.681   12.059 4.466263 13.76908 
1 1 1  -15   14    9 o   59.611   10.435   20.070   7.1064   16.090   7.9116   36.691   16.168   47.628   12.203   71.594   16.931 -23.96579 20.87010 
1 1 1  -15   14   10 o  192.960   5.4159  245.977   13.565  229.764   16.679  277.657   23.315  183.910   6.6925  202.010   8.5170 -18.09988 10.83181 
1 1 1  -15   14   11 o  206.582   5.1928  287.636   13.021  284.652   15.285  295.530   24.863  204.786   5.5079  208.379   8.8047 -3.592697 10.38561 
1 1 1  -15   14   12 o  210.164   5.1268  289.303   13.081  276.615   15.244  324.755   25.481  201.869   5.5723  218.459   8.6073 -16.58936 10.25360 
1 1 1  -15   14   13 o  179.248   5.2028  222.998   11.434  229.626   13.651  207.417   20.930  183.931   5.4769  174.565   8.8475 9.365936 10.40551 
1 1 1  -15   14   14 o  241.034   5.3235  393.348   15.586  391.338   18.327  398.599   29.625  240.102   5.6326  241.965   9.0350 -1.863663 10.64697 
1 1 1  -15   14   15 o  150.987   5.3197  159.207   9.9239  165.848   11.953  144.471   17.805  156.304   5.6430  145.671   9.0197 10.63332 10.63944 
1 1 1  -15   14   16 o  297.154   5.7253  604.145   20.531  608.437   24.120  592.859   39.115  299.347   5.9460  294.960   9.7858 4.386353 11.45060 
1 1 1  -15   14   17 o  373.318   6.2716  935.809   27.868  921.977   32.311  975.994   55.071  368.415   6.4718  378.221   10.745 -9.805786 12.54326 
1 1 1  -15   14   18 o  154.061   5.8969  163.645   12.112  176.702   16.171  146.964   18.278  161.222   7.4018  146.900   9.1819 14.32207 11.79386 
1 1 1  -15   14   19 o  144.293   5.2607  141.221   9.5502  140.665   11.523  142.441   17.066  143.930   5.9081  144.656   8.7060 -0.7254333 10.52141 
1 1 1  -15   14   20 o   93.380   5.9782   57.445   7.2692   52.960   8.9572   66.099   12.441   88.256   7.4894   98.504   9.3201 -10.24892 11.95645 
1 1 1  -15   14   21 o  162.925   5.7005  181.054   12.441  183.765   16.463  177.443   18.995  164.404   7.3893  161.447   8.6823 2.957397 11.40103 
1 1 1  -15   14   22 f  142.495   5.7924  136.836   11.096  128.311   14.628  148.387   17.028  137.343   7.8597  147.647   8.5107 -10.30424 11.58484 
1 1 1  -15   14   23 o   92.915   6.0383   57.697   7.2845   55.192   8.9967   62.467   12.413   90.095   7.3688   95.735   9.5679 -5.639771 12.07657 
1 1 1  -15   14   24 o  107.296   5.6167   75.104   7.7924   68.345   9.5006   88.999   13.621  100.273   6.9917  114.320   8.7924 -14.04648 11.23347 
1 1 1  -15   14   25 o  107.785   5.8317   81.397   7.9770   86.355   9.8769   72.098   13.528  112.737   6.4651  102.832   9.7075 9.904121 11.66334 
1 1 1  -15   14   26 o  138.069   5.4486  131.685   9.4919  135.397   11.579  124.083   16.572  141.186   6.0522  134.952   9.0619 6.233810 10.89714 
1 1 1  -15   14   27 o  142.126   5.5145  140.623   9.8622  146.552   12.051  128.601   17.161  146.884   6.0544  137.368   9.2186 9.515823 11.02898 
1 1 1  -15   14   28 o  201.105   9.4053  275.720   25.632  275.720   25.632   0.0000   0.0000  201.105   9.4053  ?   ?       ?      ? 
1 1 1  -15   14   29 o  210.095   5.7072  294.639   15.815  276.704   19.921  325.213   26.010  201.704   7.2882  218.486   8.7848 -16.78130 11.41445 
1 1 1  -15   14   30 o  211.816   5.3161  302.647   13.994  298.811   16.686  311.740   25.694  209.741   5.8708  213.891   8.8644 -4.149918 10.63222 
1 1 1  -15   14   31 o  223.252   5.4745  347.099   15.128  359.566   18.215  319.385   27.159  230.075   5.8423  216.429   9.2599 13.64545 10.94893 
1 1 1  -15   14   32 o   98.457   6.4664   68.665   8.1819   75.997   10.417   56.859   13.219  105.697   7.2727   91.217   10.694 14.48056 12.93273 
1 1 1  -15   14   33 o  212.927   5.4764  315.462   14.591  327.446   17.727  290.281   25.695  219.536   5.9585  206.318   9.1902 13.21764 10.95278 
1 1 1  -15   14   34 o  212.715   5.8301  306.235   16.506  298.104   21.290  318.486   26.134  209.295   7.5063  216.136   8.9227 -6.841629 11.66012 
1 1 1  -15   14   35 o  188.106   5.8429  241.493   14.712  243.976   19.408  238.138   22.558  189.327   7.5645  186.885   8.9072 2.442169 11.68587 
1 1 1  -15   14   36 o  134.181   6.4360  122.705   11.696  117.036   16.298  128.726   16.795  130.980   9.1819  137.382   9.0213 -6.401794 12.87209 
1 1 1  -15   14   37 o  186.427   6.3232  243.157   15.460  306.686   21.586  176.251   22.153  212.257   7.5047  160.597   10.179 51.65985 12.64650 
1 1 1  -15   14   38 o  173.262   5.5324  205.777   12.266  208.561   15.103  200.382   21.022  175.146   6.3634  171.379   9.0519 3.766998 11.06482 
1 1 1  -15   14   39 o  172.023   5.9858  201.473   13.822  199.783   18.298  203.719   21.094  171.254   7.8846  172.793   9.0084 -1.538406 11.97153 
1 1 1  -15   14   40 o  211.805   5.4826  303.601   14.686  300.121   17.769  311.101   26.086  210.100   6.2409  213.511   9.0159 -3.411011 10.96523 
1 1 1  -15   14   41 o  118.425   5.7524   97.223   9.0399   85.885   13.768  105.814   11.985  112.168   9.0580  124.682   7.0933 -12.51414 11.50488 
1 1 1  -15   14   42 o  219.624   4.9851  329.076   14.792  317.172   21.537  339.704   20.350  215.810   7.3644  223.438   6.7209 -7.628326 9.970202 
1 1 1  -15   14   43 o  230.516   5.0192  358.188   15.599  401.865   23.511  323.840   20.850  242.937   7.1417  218.094   7.0546 24.84273 10.03847 
1 1 1  -15   14   44 o  268.167   5.0969  489.685   18.495  492.072   26.921  487.550   25.453  268.750   7.3920  267.584   7.0194 1.165894 10.19380 
1 1 1  -15   14   45 o  209.014   6.2107  299.975   16.755  303.699   20.820  293.132   28.224  211.127   7.2771  206.901   10.067 4.226517 12.42138 
1 1 1  -15   14   46 o  181.258   6.1502  221.232   14.491  213.458   17.955  235.755   24.540  176.950   7.4877  185.567   9.7587 -8.617065 12.30034 
1 1 1  -15   14   47 o   91.070   6.6367   58.083   7.9498   50.224   12.323   63.686   10.404   85.541   10.631   96.599   7.9480 -11.05814 13.27338 
1 1 1  -15   14   48 f  188.405   7.3596  242.092   18.790  242.092   18.790   0.0000   0.0000  188.405   7.3596  ?   ?       ?      ? 
1 1 1  -15   14   49 o  116.555   5.7630   90.396   8.9797  109.634   14.152   77.430   11.618  126.651   8.2458  106.458   8.0532 20.19333 11.52597 
1 1 1  -15   14   50 o  148.538   5.2519  150.128   10.494  154.610   15.928  146.689   13.951  150.432   7.8131  146.644   7.0202 3.787521 10.50373 
1 1 1  -15   14   51 o  222.833   5.0030  337.137   15.053  359.139   22.478  319.248   20.269  229.354   7.2323  216.311   6.9147 13.04213 10.00599 
1 1 1  -15   14   52 o  171.189   5.1541  202.197   11.836  178.301   17.272  223.352   16.252  161.437   7.8950  180.942   6.6279 -19.50449 10.30826 
1 1 1  -15   14   53 o  118.701   5.7045   97.486   9.0302   90.182   13.751  103.024   11.974  114.622   8.8528  122.780   7.1966 -8.158142 11.40892 
1 1 1  -15   14   54 o  127.538   5.5453  110.836   9.5292  116.708   14.402  106.263   12.709  130.472   8.1456  124.603   7.5266 5.868484 11.09057 
1 1 1  -15   14   55 o  189.735   6.8837  246.297   17.606  268.225   26.621  229.249   23.472  197.098   9.9669  182.372   9.4977 14.72562 13.76750 
1 1 1  -15   14   56 o   68.606   9.4458   34.019   8.4507   33.053   11.549   35.132   12.398   67.616   13.078   69.596   13.633 -1.980461 18.89156 
1 1 1  -15   14   57 o  155.997   5.1533  167.552   10.841  156.914   15.793  177.031   14.909  151.187   7.7086  160.808   6.8414 -9.621475 10.30665 
1 1 1  -15   14   58 o   49.045   9.1979   18.103   6.4612   10.980   9.8969   23.393   8.5298   41.161   14.395   56.930   11.453 -15.76879 18.39575 
1 1 1  -15   14   59 o   55.063   8.8756   21.839   6.4053   24.393   9.9805   20.051   8.3524   57.679   13.071   52.447   12.011 5.232723 17.75115 
1 1 1  -15   14   60 o   74.097   9.0464   36.672   8.6051   27.890   10.677   52.951   14.536   61.621   13.185   86.572   12.390 -24.95072 18.09279 
1 1 1  -15   14   61 o   61.781   10.198   26.534   8.1574   20.894   10.102   37.104   13.830   53.043   13.889   70.519   14.937 -17.47569 20.39665 
1 1 1  -15   14   62 o   58.509   8.5414   25.627   6.5448   20.075   10.118   29.621   8.5821   51.892   14.045   65.126   9.7243 -13.23332 17.08290 
1 1 1  -15   14   63 f   42.458   10.158   13.006   6.9971   4.4821   13.647   16.046   8.1499   38.336   15.932   46.579   12.605 -8.242416 20.31556 
1 1 1  -15   14   64 o   57.085   10.035   25.101   7.3017   20.797   14.251   26.633   8.5024   52.677   17.284   61.493   10.203 -8.815418 20.07068 
1 1 1  -15   14   65 o   67.403   7.8979   33.734   6.8176   27.099   10.267   38.967   9.1181   60.201   12.968   74.605   9.0189 -14.40359 15.79572 
1 1 1  -15   14   66 o   47.956   9.2716   17.618   6.2920   13.622   9.5472   20.686   8.3659   43.248   14.144   52.663   11.991 -9.415432 18.54325 
1 1 1  -15   14   67 o   53.590   8.9958   21.929   6.4098   19.765   9.7905   23.552   8.4798   50.849   13.839   56.331   11.498 -5.482700 17.99159 
1 1 1  -15   14   68 o   41.205   10.553   9.7744   6.7874   17.258   13.569   7.2772   7.8384   48.109   16.854   34.301   12.704 13.80818 21.10561 
1 1 1  -15   14   69 o   28.473   9.0280  -2.9820   6.3940   1.8125   12.279  -4.7657   7.4895   34.143   14.689   22.804   10.500 11.33910 18.05605 
1 1 1  -15   14   70 o   74.313   9.1690   39.537   8.1518   46.762   15.567   36.807   9.5686   76.925   15.469   71.701   9.8478 5.223137 18.33797 
1 1 1  -15   14   71 o   56.003   8.9367   29.627   7.6847   1.4719   14.121   41.472   9.1597   35.598   15.531   76.409   8.8462 -40.81037 17.87338 
1 1 1  -15   14   72 o   44.949   10.580   12.665   7.0637   24.589   13.426   8.1013   8.3061   54.631   16.639   35.267   13.074 19.36351 21.16069 
1 1 1  -15   14   73 o   89.054   9.9046   61.591   11.611   67.259   16.257   55.690   16.589   94.576   12.684   83.533   15.215 11.04290 19.80910 
1 1 1  -15   14   74 o  102.225   12.399   78.568   17.176   78.568   17.176   0.0000   0.0000  102.225   12.399  ?   ?       ?      ? 
1 1 1  -15   14   75 f   73.748   15.302   44.236   14.792   44.236   14.792   0.0000   0.0000   73.748   15.302  ?   ?       ?      ? 
1 1 1  -15   14   76 o   43.912   16.135   14.824   12.603   14.824   12.603   0.0000   0.0000   43.912   16.135  ?   ?       ?      ? 
1 1 1  -15   14   77 o   47.957   16.605   19.127   13.152   19.127   13.152   0.0000   0.0000   47.957   16.605  ?   ?       ?      ? 
1 1 1  -15   14   78 o   38.250   15.434   8.9605   12.339   8.9605   12.339   0.0000   0.0000   38.250   15.434  ?   ?       ?      ? 
1 1 1  -15   14   79 o   59.906   16.411   31.339   13.715   31.339   13.715   0.0000   0.0000   59.906   16.411  ?   ?       ?      ? 
1 1 1  -15   15    1 o  252.996   5.7683  427.881   18.615  413.254   22.588  458.849   32.865  246.564   6.7602  259.428   9.3484 -12.86447 11.53658 
1 1 1  -15   15    2 o  168.643   5.8034  197.565   12.381  205.277   15.187  182.278   21.381  173.803   6.4480  163.482   9.6509 10.32159 11.60680 
1 1 1  -15   15    3 o  187.602   6.5114  239.177   16.554  239.177   16.554   0.0000   0.0000  187.602   6.5114  ?   ?       ?      ? 
1 1 1  -15   15    4 o  204.579   6.6175  284.448   18.346  284.448   18.346   0.0000   0.0000  204.579   6.6175  ?   ?       ?      ? 
1 1 1  -15   15    5 o  211.980   5.7240  313.548   15.597  332.746   19.565  280.067   25.837  221.277   6.5247  202.683   9.4067 18.59401 11.44805 
1 1 1  -15   15    6 o  172.341   6.9483  201.657   16.135  211.122   24.363  194.262   21.535  175.879   10.222  168.803   9.4142 7.076019 13.89664 
1 1 1  -15   15    7 o   68.807   12.044   35.411   11.940   47.256   15.371   17.393   18.958   82.974   13.670   54.640   19.834 28.33411 24.08828 
1 1 1  -15   15    8 o   89.410   6.1289   55.545   7.2729   62.634   9.7934   46.829   10.860   95.956   7.5315   82.865   9.6711 13.09111 12.25779 
1 1 1  -15   15    9 o  165.249   4.8900  184.787   10.921  174.370   14.792  197.266   16.191  160.161   6.8155  170.336   7.0142 -10.17497 9.780063 
1 1 1  -15   15   10 o  210.808   5.5752  292.453   15.155  272.040   18.475  334.444   26.498  200.049   6.8151  221.568   8.8253 -21.51891 11.15039 
1 1 1  -15   15   11 f  213.302   5.2557  299.729   13.578  288.462   15.819  331.251   26.460  206.101   5.6639  220.502   8.8550 -14.40091 10.51149 
1 1 1  -15   15   12 o  193.680   5.2834  254.357   12.430  253.343   14.621  257.000   23.607  193.153   5.5857  194.208   8.9698 -1.054321 10.56681 
1 1 1  -15   15   13 o  164.565   5.3840  185.838   10.908  188.118   12.999  180.409   20.054  166.430   5.7636  162.701   9.0957 3.728989 10.76806 
1 1 1  -15   15   14 f  249.152   5.5531  432.107   16.797  445.027   19.929  400.418   31.212  255.982   5.7452  242.323   9.5049 13.65929 11.10628 
1 1 1  -15   15   15 o  208.594   5.2788  288.935   13.444  280.165   15.768  312.278   25.727  203.106   5.7291  214.082   8.8679 -10.97586 10.55758 
1 1 1  -15   15   16 o   81.286   6.8348   39.781   7.0686   27.782   8.5082   66.514   12.700   63.812   9.8390   98.760   9.4895 -34.94735 13.66952 
1 1 1  -15   15   17 o  314.680   7.4512  671.954   31.586  715.166   47.864  638.619   42.039  323.491   10.918  305.868   10.142 17.62271 14.90231 
1 1 1  -15   15   18 o  335.715   7.6970  771.573   34.894  752.868   51.185  787.812   47.693  331.772   11.385  339.657   10.362 -7.885162 15.39409 
1 1 1  -15   15   19 o  110.209   6.2943   81.908   9.2634   77.979   11.992   87.721   14.587  107.010   8.2697  113.408   9.4914 -6.397797 12.58863 
1 1 1  -15   15   20 o  144.879   5.7470  138.758   11.060  123.249   14.048  164.051   17.940  134.574   7.7031  155.183   8.5309 -20.60855 11.49409 
1 1 1  -15   15   21 o  232.341   5.9033  373.995   17.941  394.535   22.952  341.727   28.767  240.859   7.0318  223.823   9.4842 17.03653 11.80665 
1 1 1  -15   15   22 o  164.540   5.9000  187.545   12.842  201.803   16.848  167.773   19.840  172.239   7.2182  156.840   9.3348 15.39973 11.80000 
1 1 1  -15   15   23 o  111.807   7.2290   86.144   10.851   77.272   15.899   93.880   14.846  106.296   11.038  117.318   9.3382 -11.02219 14.45797 
1 1 1  -15   15   24 o  119.713   8.3132   97.624   13.486   97.624   13.486   0.0000   0.0000  119.713   8.3132  ?   ?       ?      ? 
1 1 1  -15   15   25 o  160.975   7.4565  176.343   16.266  176.343   16.266   0.0000   0.0000  160.975   7.4565  ?   ?       ?      ? 
1 1 1  -15   15   26 o  134.549   6.1505  119.831   11.048  101.731   14.244  147.165   17.504  122.173   8.6037  146.924   8.7915 -24.75156 12.30100 
1 1 1  -15   15   27 o  146.341   5.5573  141.165   10.460  131.905   12.723  160.472   18.371  139.271   6.7414  153.412   8.8369 -14.14157 11.11469 
1 1 1  -15   15   28 o  209.876   6.0507  307.711   16.745  345.140   22.209  258.405   25.490  225.208   7.2772  194.545   9.6688 30.66261 12.10134 
1 1 1  -15   15   29 o  201.346   5.6002  284.730   14.062  299.863   17.116  253.298   24.668  210.056   6.0129  192.635   9.4495 17.42032 11.20042 
1 1 1  -15   15   30 o  117.718   5.9120   91.429   9.1054   83.695   11.284  105.862   15.415  110.878   7.5101  124.558   9.1327 -13.68056 11.82403 
1 1 1  -15   15   31 o   80.215   7.1994   41.885   7.6264   34.709   9.5715   54.363   12.621   71.273   9.9100   89.157   10.446 -17.88419 14.39890 
1 1 1  -15   15   32 o  143.319   5.7035  142.230   10.409  146.934   12.825  133.149   17.819  146.995   6.4383  139.643   9.4165 7.351181 11.40709 
1 1 1  -15   15   33 o  166.343   5.4400  182.696   11.489  172.768   13.824  204.879   20.663  159.392   6.3999  173.294   8.7987 -13.90211 10.88005 
1 1 1  -15   15   34 f  163.635   5.5774  183.234   11.527  184.636   13.999  180.280   20.316  164.781   6.2691  162.489   9.2266 2.292068 11.15487 
1 1 1  -15   15   35 o  151.468   5.5963  153.929   10.835  149.262   13.186  163.631   19.012  148.125   6.5690  154.812   9.0622 -6.686844 11.19263 
1 1 1  -15   15   36 o  231.645   5.9833  364.599   18.385  359.023   23.610  373.189   29.304  229.558   7.5896  233.732   9.2518 -4.174240 11.96653 
1 1 1  -15   15   37 o  192.005   5.9990  252.477   15.348  256.818   20.062  246.350   23.833  194.132   7.6261  189.878   9.2625 4.254181 11.99793 
1 1 1  -15   15   38 o  121.094   6.1076  100.535   9.5444  101.533   11.850   98.691   16.104  122.095   7.1621  120.092   9.8952 2.003769 12.21520 
1 1 1  -15   15   39 o  150.694   5.6540  153.528   10.924  150.732   13.373  159.134   18.939  148.808   6.6315  152.580   9.1594 -3.772293 11.30805 
1 1 1  -15   15   40 o  199.660   5.5416  272.977   13.848  274.720   16.686  269.118   24.826  200.947   6.1274  198.373   9.2353 2.573807 11.08313 
1 1 1  -15   15   41 o  168.090   5.5805  191.351   11.883  188.768   14.394  196.878   21.056  166.527   6.3784  169.653   9.1589 -3.125519 11.16109 
1 1 1  -15   15   42 o  194.023   6.2023  256.237   16.308  256.237   16.308   0.0000   0.0000  194.023   6.2023  ?   ?       ?      ? 
1 1 1  -15   15   43 o   98.029   8.2502   65.664   10.960   65.664   10.960   0.0000   0.0000   98.029   8.2502  ?   ?       ?      ? 
1 1 1  -15   15   44 o  243.654   5.5889  396.404   16.842  383.764   19.928  428.008   31.511  237.391   6.1946  249.917   9.3043 -12.52562 11.17776 
1 1 1  -15   15   45 o  159.198   6.0482  170.077   12.849  155.344   16.524  192.607   20.434  150.733   8.0895  167.663   8.9935 -16.92967 12.09641 
1 1 1  -15   15   46 o  126.343   5.4872  108.349   9.2725  113.743   14.465  104.586   12.081  128.917   8.2798  123.769   7.2031 5.147850 10.97449 
1 1 1  -15   15   47 o   96.108   6.3013   62.669   8.0783   67.173   12.768   59.663   10.432   98.871   9.5297   93.344   8.2467 5.526970 12.60252 
1 1 1  -15   15   48 o  182.795   5.0222  228.157   12.379  229.648   18.476  226.943   16.674  183.263   7.4397  182.327   6.7484 0.9357147 10.04443 
1 1 1  -15   15   49 o   91.630   6.6754   60.104   7.9461   46.037   12.097   70.781   10.539   81.574   10.943  101.686   7.6478 -20.11182 13.35072 
1 1 1  -15   15   50 o   80.887   8.3312   46.934   8.7041   55.121   11.975   37.763   12.673   89.381   9.8867   72.394   13.412 16.98663 16.66249 
1 1 1  -15   15   51 o  134.673   6.4396  126.828   11.517  137.002   15.261  113.366   17.555  141.301   7.9697  128.046   10.117 13.25571 12.87911 
1 1 1  -15   15   52 o   71.296   9.1059   30.753   8.0231   53.980   15.290   21.927   9.4249   87.720   12.862   54.872   12.893 32.84843 18.21189 
1 1 1  -15   15   53 o  173.112   6.2282  207.503   13.433  204.398   24.236  208.880   16.140  171.570   10.424  174.654   6.8192 -3.084335 12.45631 
1 1 1  -15   15   54 o   84.221   6.8305   49.715   7.6031   46.374   11.922   52.005   9.8711   81.577   10.784   86.864   8.3857 -5.286903 13.66092 
1 1 1  -15   15   55 f  146.445   5.2986  147.777   10.430  144.755   15.689  150.171   13.962  144.956   7.9871  147.935   6.9648 -2.979034 10.59726 
1 1 1  -15   15   56 o   93.751   6.2807   60.269   7.8771   64.593   12.320   57.280   10.245   96.438   9.4270   91.065   8.3019 5.373001 12.56139 
1 1 1  -15   15   57 o   72.433   7.3290   36.378   7.0906   38.614   11.130   34.851   9.1987   74.126   11.080   70.740   9.5958 3.386497 14.65791 
1 1 1  -15   15   58 o   31.160   9.3170  -4.8819   7.3221 -14.2566   9.4233   9.4027   11.632   21.775   10.523   40.545   15.378 -18.77009 18.63395 
1 1 1  -15   15   59 o   86.906   7.9742   51.267   8.5827   58.978   16.182   48.249   10.124   90.589   13.182   83.223   8.9768 7.366219 15.94843 
1 1 1  -15   15   60 o   94.119   8.8005   72.196   9.1198   46.717   16.377   83.649   10.980   78.242   15.986  109.996   7.3660 -31.75384 17.60104 
1 1 1  -15   15   61 o   28.991   8.5655   1.3145   5.8166  -3.6680   8.9991   4.8897   7.6230   26.374   11.895   31.608   12.328 -5.234163 17.13091 
1 1 1  -15   15   62 o   36.723   9.3816   8.6750   6.0273   6.6583   9.1546   10.218   8.0078   35.132   13.563   38.314   12.965 -3.182278 18.76327 
1 1 1  -15   15   63 o   42.166   9.3643   12.262   6.1213   18.472   9.3306   7.5698   8.1108   49.309   13.547   35.024   12.932 14.28525 18.72863 
1 1 1  -15   15   64 o   39.275   9.3931   10.965   6.0858   7.3412   9.2844   13.694   8.0584   35.753   13.696   42.796   12.858 -7.043507 18.78614 
1 1 1  -15   15   65 o   61.608   8.3510   29.115   6.6310   22.721   10.223   33.760   8.7128   54.203   13.862   69.012   9.3164 -14.80907 16.70194 
1 1 1  -15   15   66 o   79.386   9.0218   46.414   8.3717   48.744   16.054   45.544   9.8113   78.616   15.620   80.156   9.0325 -1.540321 18.04361 
1 1 1  -15   15   67 o   84.995   9.6561   63.784   9.0494   35.504   16.053   76.958   10.956   65.270   17.702  104.720   7.7205 -39.45097 19.31217 
1 1 1  -15   15   68 f   47.702   10.513   13.079   7.2751   31.371   14.065   6.3970   8.5005   61.789   16.490   33.616   13.044 28.17378 21.02569 
1 1 1  -15   15   69 o   65.044   9.8254   31.017   7.7731   39.265   14.606   27.758   9.1813   69.515   15.856   60.573   11.608 8.941574 19.65070 
1 1 1  -15   15   70 o   94.067   7.8155   62.222   9.0751   72.129   17.168   58.381   10.691   97.656   12.973   90.479   8.7192 7.176941 15.63103 
1 1 1  -15   15   71 o  109.826   8.5646   90.353   12.736   94.877   18.121   85.937   17.904  112.760   11.859  106.893   12.360 5.867188 17.12917 
1 1 1  -15   15   72 o   77.429   15.011   48.395   15.182   48.395   15.182   0.0000   0.0000   77.429   15.011  ?   ?       ?      ? 
1 1 1  -15   15   73 o   39.787   15.695   10.308   12.475   10.308   12.475   0.0000   0.0000   39.787   15.695  ?   ?       ?      ? 
1 1 1  -15   15   74 o   71.709   15.308   42.423   14.423   42.423   14.423   0.0000   0.0000   71.709   15.308  ?   ?       ?      ? 
1 1 1  -15   15   75 f   89.876   13.352   63.064   16.262   63.064   16.262   0.0000   0.0000   89.876   13.352  ?   ?       ?      ? 
1 1 1  -15   15   76 o   56.267   16.869   28.046   13.880   28.046   13.880   0.0000   0.0000   56.267   16.869  ?   ?       ?      ? 
1 1 1  -15   15   77 o   58.592   16.922   30.858   14.188   30.858   14.188   0.0000   0.0000   58.592   16.922  ?   ?       ?      ? 
1 1 1  -15   16    1 o   31.687   8.9495   2.3972   5.8725  -0.9393   7.6868   7.0745   9.1012   26.723   11.559   36.651   13.666 -9.927782 17.89909 
1 1 1  -15   16    2 o  150.554   5.1036  155.329   10.339  168.665   14.241  140.468   15.033  157.482   6.6729  143.626   7.7239 13.85612 10.20719 
1 1 1  -15   16    3 o  172.590   4.9952  201.440   11.645  187.111   15.725  218.844   17.330  165.841   6.9970  179.339   7.1309 -13.49794 9.990369 
1 1 1  -15   16    4 o   63.741   8.3562   29.930   6.8374   38.952   9.2731   19.180   10.122   75.564   9.0558   51.917   14.046 23.64733 16.71238 
1 1 1  -15   16    5 o  134.232   5.2745  124.061   9.4779  141.456   13.135  105.165   13.690  144.219   6.7208  124.244   8.1310 19.97581 10.54905 
1 1 1  -15   16    6 o  166.025   5.0488  188.055   11.328  197.710   15.733  177.661   16.323  170.493   6.8096  161.557   7.4559 8.936935 10.09758 
1 1 1  -15   16    7 o  203.559   4.9814  282.652   13.682  313.140   19.373  252.307   19.327  214.585   6.6621  192.533   7.4076 22.05112 9.962766 
1 1 1  -15   16    8 o  196.317   5.0066  262.533   13.300  269.650   18.483  254.891   19.153  199.106   6.8504  193.529   7.3032 5.576706 10.01325 
1 1 1  -15   16    9 o  177.855   5.0263  215.997   12.037  245.192   17.082  187.201   16.964  189.883   6.6383  165.828   7.5491 24.05591 10.05265 
1 1 1  -15   16   10 o  126.585   5.8642  110.715   9.0941  112.854   10.823  105.576   16.774  128.852   6.1981  124.317   9.9569 4.535011 11.72845 
1 1 1  -15   16   11 o   65.054   8.4565   29.593   6.8108   29.661   8.2813   29.450   11.973   65.928   9.2692   64.180   14.147 1.748253 16.91306 
1 1 1  -15   16   12 o  173.099   6.0851  201.613   13.901  193.129   17.586  215.743   22.695  168.413   7.7057  177.785   9.4200 -9.371460 12.17028 
1 1 1  -15   16   13 o  147.707   7.9159  148.600   15.845  148.600   15.845   0.0000   0.0000  147.707   7.9159  ?   ?       ?      ? 
1 1 1  -15   16   14 o   39.053   10.253   7.9964   7.2774   5.7725   10.164   10.335   10.424   36.580   14.245   41.527   14.751 -4.946827 20.50628 
1 1 1  -15   16   15 o   52.710   9.1582   16.551   6.4673   9.3448   7.8165   32.191   11.516   38.089   12.810   67.331   13.092 -29.24204 18.31645 
1 1 1  -15   16   16 o  120.827   5.7863   96.439   8.7901   91.688   10.495  107.606   16.090  116.108   6.6699  125.546   9.4572 -9.437309 11.57267 
1 1 1  -15   16   17 o   82.910   7.0157   47.144   7.4166   47.500   9.0872   46.435   12.835   83.499   8.0310   82.321   11.506 1.177788 14.03143 
1 1 1  -15   16   18 o   87.449   8.0210   52.449   9.4817   51.451   13.829   53.334   13.025   86.626   11.780   88.273   10.889 -1.646820 16.04193 
1 1 1  -15   16   19 o   74.679   8.2608   37.948   8.1065   32.250   10.647   45.807   12.504   67.584   12.068   81.773   11.284 -14.18830 16.52168 
1 1 1  -15   16   20 o  110.095   6.0363   79.791   8.3789   75.237   10.013   90.430   15.304  105.148   7.0271  115.043   9.8168 -9.893944 12.07269 
1 1 1  -15   16   21 o  162.256   5.9991  178.951   13.191  178.951   13.191   0.0000   0.0000  162.256   5.9991  ?   ?       ?      ? 
1 1 1  -15   16   22 o  143.338   5.7871  134.774   10.109  128.463   11.803  152.153   19.586  137.447   6.3369  149.229   9.6854 -11.78174 11.57429 
1 1 1  -15   16   23 o  183.887   5.5201  232.992   12.490  236.765   14.895  224.059   22.922  186.639   5.8893  181.134   9.3381 5.504913 11.04013 
1 1 1  -15   16   24 o  175.538   5.4650  208.759   11.940  206.994   14.268  212.881   21.808  174.493   6.0339  176.582   9.1135 -2.088516 10.92994 
1 1 1  -15   16   25 o  108.757   6.5346   84.602   8.8483   91.810   10.866   70.419   15.243  116.147   6.9039  101.367   11.097 14.78018 13.06928 
1 1 1  -15   16   26 o  130.540   5.8241  113.438   9.6440  108.652   11.622  124.022   17.282  126.357   6.7872  134.722   9.4664 -8.365456 11.64811 
1 1 1  -15   16   27 o   77.252   8.1080   42.763   7.7661   45.655   9.7017   37.605   12.957   81.784   8.7538   72.719   13.650 9.064735 16.21596 
1 1 1  -15   16   28 o  219.756   5.4535  319.250   14.830  305.782   17.513  353.387   27.882  212.050   6.0947  227.462   9.0454 -15.41208 10.90708 
1 1 1  -15   16   29 o  171.063   5.5542  198.274   11.892  196.319   14.269  202.721   21.517  169.890   6.1981  172.236   9.2186 -2.346558 11.10850 
1 1 1  -15   16   30 o  115.987   6.0869   88.582   9.0906   82.033   11.058  102.238   15.968  109.720   7.4369  122.254   9.6382 -12.53387 12.17382 
1 1 1  -15   16   31 f  123.291   6.0408  104.802   9.4589  106.782   11.580  100.832   16.396  125.229   6.8239  121.354   9.9700 3.875534 12.08167 
1 1 1  -15   16   32 o   88.469   7.1371   53.691   8.1974   53.874   10.235   53.365   13.691   88.820   8.5032   88.119   11.465 0.7010193 14.27423 
1 1 1  -15   16   33 o  202.208   6.1154  281.772   16.376  291.627   21.246  267.349   25.703  206.796   7.5814  197.620   9.5978 9.175705 12.23089 
1 1 1  -15   16   34 o  182.729   5.5646  222.681   12.787  214.419   15.309  241.749   23.256  177.475   6.3652  187.983   9.1293 -10.50797 11.12921 
1 1 1  -15   16   35 o  158.597   5.6335  169.059   11.311  164.431   13.650  179.201   20.206  155.390   6.4824  161.804   9.2154 -6.414520 11.26695 
1 1 1  -15   16   36 o   95.611   6.7536   61.159   8.4585   57.193   10.534   68.357   14.192   91.463   8.4987   99.759   10.498 -8.295181 13.50724 
1 1 1  -15   16   37 o  143.752   5.7445  137.501   10.563  130.478   12.811  152.411   18.668  138.350   6.8333  149.154   9.2359 -10.80476 11.48898 
1 1 1  -15   16   38 o  185.471   6.1693  240.667   15.135  269.004   20.166  204.124   22.901  198.495   7.4970  172.446   9.7998 26.04897 12.33861 
1 1 1  -15   16   39 o  101.636   7.9796   70.628   10.990   70.628   10.990   0.0000   0.0000  101.636   7.9796  ?   ?       ?      ? 
1 1 1  -15   16   40 o  191.830   6.2038  250.771   16.127  250.771   16.127   0.0000   0.0000  191.830   6.2038  ?   ?       ?      ? 
1 1 1  -15   16   41 o  113.688   6.5250   91.312   9.4018   96.758   11.630   81.041   15.972  119.014   7.2112  108.362   10.877 10.65218 13.04996 
1 1 1  -15   16   42 o  150.845   5.8017  157.039   11.122  159.295   13.611  152.507   19.293  152.784   6.5742  148.905   9.5613 3.878662 11.60340 
1 1 1  -15   16   43 o  167.157   5.6597  187.089   12.069  179.042   14.623  204.284   21.375  161.930   6.6638  172.384   9.1500 -10.45369 11.31941 
1 1 1  -15   16   44 o  107.844   6.9655   80.315   10.058   80.916   13.276   79.505   15.411  108.469   9.0320  107.220   10.606 1.249649 13.93108 
1 1 1  -15   16   45 o  133.075   6.3693  120.942   11.328  116.450   14.726  127.452   17.728  130.218   8.3453  135.931   9.6243 -5.713257 12.73858 
1 1 1  -15   16   46 f   66.963   9.6127   32.604   8.4127   33.253   11.583   31.880   12.238   67.826   13.077   66.100   14.093 1.725838 19.22531 
1 1 1  -15   16   47 o   29.910   8.6685  -3.6804   6.4778 -14.4244   8.7555   9.3133   9.6287   20.659   10.022   39.161   14.147 -18.50205 17.33696 
1 1 1  -15   16   48 o   84.370   7.3393   49.883   8.1096   51.313   10.323   47.577   13.106   86.248   8.8325   82.493   11.724 3.754807 14.67853 
1 1 1  -15   16   49 o  138.573   6.3025  132.087   11.756  127.957   15.641  137.448   17.823  136.222   8.4729  140.923   9.3326 -4.700897 12.60506 
1 1 1  -15   16   50 o  141.419   7.3290  137.191   13.859  152.289   21.818  126.976   17.945  147.635   10.905  135.204   9.7945 12.43103 14.65797 
1 1 1  -15   16   51 o  126.929   5.5136  110.229   9.3638  115.885   14.588  106.265   12.212  129.535   8.3103  124.324   7.2484 5.211365 11.02724 
1 1 1  -15   16   52 o   51.618   8.6691   21.296   6.6133   6.5779   10.707   30.375   8.4093   37.143   14.576   66.092   9.3892 -28.94909 17.33815 
1 1 1  -15   16   53 o   76.968   7.1583   39.495   7.2715   50.821   12.074   33.049   9.1085   85.134   10.466   68.802   9.7693 16.33199 14.31668 
1 1 1  -15   16   54 o  104.166   7.8363   78.596   9.4408   72.442   18.717   80.696   10.934  100.218   13.782  108.114   7.4627 -7.896103 15.67260 
1 1 1  -15   16   55 o   68.326   11.806   36.182   10.716   34.842   16.876   37.087   13.871   66.625   18.184   70.028   15.064 -3.403191 23.61277 
1 1 1  -15   16   56 o   74.562   11.188   42.823   10.992   37.348   17.055   46.712   14.377   68.759   18.068   80.365   13.201 -11.60693 22.37671 
1 1 1  -15   16   57 o   84.159   6.8411   51.196   7.5582   42.177   11.504   58.047   10.026   76.989   11.026   91.329   8.1008 -14.34053 13.68224 
1 1 1  -15   16   58 o   65.875   8.2554   32.653   6.9723   25.888   10.592   37.825   9.2617   58.425   13.628   73.325   9.3208 -14.90043 16.51081 
1 1 1  -15   16   59 o   44.072   9.2387   14.752   6.2080   8.6792   9.4873   19.300   8.2096   37.431   13.954   50.714   12.112 -13.28251 18.47733 
1 1 1  -15   16   60 o   57.054   8.7031   24.362   6.4739   25.383   9.9431   23.610   8.5295   57.816   13.006   56.292   11.568 1.524422 17.40613 
1 1 1  -15   16   61 o   34.149   8.9763   5.0616   5.8821   13.123   9.1379  -0.6419   7.6863   42.139   13.841   26.159   11.434 15.98051 17.95265 
1 1 1  -15   16   62 o   64.488   7.8969   30.542   6.6944   30.515   10.084   30.563   8.9515   63.677   12.129   65.300   10.116 -1.623596 15.79383 
1 1 1  -15   16   63 o   73.910   8.9673   36.082   8.1317   54.763   15.785   29.334   9.4874   85.284   13.658   62.535   11.623 22.74973 17.93462 
1 1 1  -15   16   64 o   95.508   7.9768   67.094   9.2367   65.633   17.235   67.682   10.941   93.133   13.656   97.882   8.2481 -4.748764 15.95369 
1 1 1  -15   16   65 o   59.209   10.349   24.038   7.6975   40.339   14.709   17.890   9.0332   70.595   15.773   47.822   13.402 22.77343 20.69748 
1 1 1  -15   16   66 o   33.943   9.7901   5.4488   7.0246  -2.3794   13.491   8.3607   8.2279   32.472   14.612   35.414   13.034 -2.942215 19.58022 
1 1 1  -15   16   67 o   27.130   8.8249  -3.5696   6.6802  -7.4713   13.221  -2.2320   7.7410   29.526   13.719   24.735   11.105 4.790356 17.64986 
1 1 1  -15   16   68 o   63.117   10.270   33.723   9.5646   14.225   14.111   50.295   13.009   44.120   16.889   82.115   11.691 -37.99519 20.54028 
1 1 1  -15   16   69 o   65.906   16.419   36.625   14.610   36.625   14.610   0.0000   0.0000   65.906   16.419  ?   ?       ?      ? 
1 1 1  -15   16   70 o   37.676   15.740   6.8499   13.418   6.8499   13.418   0.0000   0.0000   37.676   15.740  ?   ?       ?      ? 
1 1 1  -15   16   71 o   47.390   16.598   18.682   13.160   18.682   13.160   0.0000   0.0000   47.390   16.598  ?   ?       ?      ? 
1 1 1  -15   16   72 o   22.105   10.848 -18.7693   11.149 -18.7693   11.149   0.0000   0.0000   22.105   10.848  ?   ?       ?      ? 
1 1 1  -15   16   73 o   23.274   11.335 -16.4459   11.504 -16.4459   11.504   0.0000   0.0000   23.274   11.335  ?   ?       ?      ? 
1 1 1  -15   16   74 o   61.495   16.828   33.940   14.431   33.940   14.431   0.0000   0.0000   61.495   16.828  ?   ?       ?      ? 
1 1 1  -15   17    1 o  112.936   5.6765   86.585   8.6420   83.209   11.553   90.874   13.021  110.476   7.7172  115.395   8.3267 -4.918053 11.35291 
1 1 1  -15   17    2 o  115.034   5.8197   93.695   8.6846  119.581   11.982   65.046   12.605  132.544   6.6709   97.523   9.5381 35.02132 11.63949 
1 1 1  -15   17    3 o   86.751   6.3711   51.474   7.4217   51.859   9.8753   50.975   11.250   87.174   8.3595   86.328   9.6168 0.8460388 12.74224 
1 1 1  -15   17    4 o  153.733   7.5319  161.063   15.691   0.0000   0.0000  161.063   15.691  ?   ?   153.733   7.5319      ?      ? 
1 1 1  -15   17    5 o  243.003   5.0254  402.694   16.516  412.224   22.826  392.221   23.929  246.069   6.8451  239.936   7.3594 6.133362 10.05074 
1 1 1  -15   17    6 o  202.321   4.9953  279.517   13.658  294.228   18.975  263.703   19.674  207.906   6.7348  196.736   7.3794 11.17043 9.990689 
1 1 1  -15   17    7 o  169.287   5.0718  195.194   11.606  195.229   15.866  195.155   17.022  169.334   6.9139  169.240   7.4222 0.9411621E-01 10.14356 
1 1 1  -15   17    8 o  158.495   6.9879  181.076   13.615  148.643   23.872  196.712   16.576  147.047   11.980  169.942   7.1976 -22.89488 13.97575 
1 1 1  -15   17    9 o  203.207   6.4004  271.776   16.331  309.608   30.084  255.970   19.446  212.587   10.443  193.826   7.4034 18.76135 12.80084 
1 1 1  -15   17   10 o  240.986   5.6707  399.520   16.406  403.631   19.235  388.545   31.426  243.650   5.8258  238.320   9.7308 5.329880 11.34141 
1 1 1  -15   17   11 o  157.300   5.5228  166.276   10.550  163.319   12.368  174.173   20.213  154.979   5.8890  159.620   9.3448 -4.640335 11.04557 
1 1 1  -15   17   12 o   81.535   7.0940   43.780   7.2144   41.291   8.5470   49.949   13.455   77.802   8.1066   85.268   11.644 -7.465584 14.18806 
1 1 1  -15   17   13 o  103.995   7.3600   74.104   10.369   71.956   14.632   76.271   14.698  102.467   10.537  105.524   10.278 -3.056282 14.71991 
1 1 1  -15   17   14 o  102.461   6.6094   74.179   8.3484   78.003   10.073   65.786   14.921  107.027   6.9449   97.894   11.248 9.133064 13.21885 
1 1 1  -15   17   15 o  129.166   6.1242  119.684   9.5265  127.655   11.373  100.939   17.440  136.990   6.1264  121.342   10.606 15.64845 12.24842 
1 1 1  -15   17   16 o  148.183   5.9900  151.408   10.613  153.151   12.419  146.690   20.435  150.048   6.1075  146.319   10.306 3.728897 11.98005 
1 1 1  -15   17   17 o  144.818   6.2180  142.688   12.203  142.688   12.203   0.0000   0.0000  144.818   6.2180  ?   ?       ?      ? 
1 1 1  -15   17   18 f  120.108   6.4915  100.003   9.4548  101.784   11.176   95.522   17.731  122.264   6.7456  117.953   11.093 4.311165 12.98293 
1 1 1  -15   17   19 f  110.770   9.0510   83.883   13.586   83.883   13.586   0.0000   0.0000  110.770   9.0510  ?   ?       ?      ? 
1 1 1  -15   17   20 o  170.837   7.6686  199.042   17.753  199.042   17.753   0.0000   0.0000  170.837   7.6686  ?   ?       ?      ? 
1 1 1  -15   17   21 o  151.072   5.7121  152.618   10.670  148.246   12.630  163.517   19.940  147.584   6.3150  154.559   9.5201 -6.974747 11.42414 
1 1 1  -15   17   22 o  132.674   5.7821  112.562   9.5913  101.790   11.310  140.152   18.101  122.241   6.8273  143.107   9.3337 -20.86620 11.56412 
1 1 1  -15   17   23 o  143.762   6.2240  136.727   11.836  121.700   14.903  162.401   19.479  133.490   8.2383  154.033   9.3320 -20.54271 12.44807 
1 1 1  -15   17   24 o  218.517   5.6206  327.782   15.022  330.224   17.805  321.749   27.986  220.295   5.9642  216.738   9.5284 3.557053 11.24110 
1 1 1  -15   17   25 o  165.800   5.6268  183.092   11.609  176.421   13.784  199.369   21.532  160.968   6.3190  170.632   9.3121 -9.663574 11.25365 
1 1 1  -15   17   26 o  161.467   5.5819  168.641   11.319  154.638   13.421  203.141   21.065  150.663   6.5734  172.272   9.0235 -21.60873 11.16390 
1 1 1  -15   17   27 o  192.867   5.5964  252.962   13.382  251.324   15.956  256.847   24.572  192.128   6.1286  193.605   9.3659 -1.476959 11.19281 
1 1 1  -15   17   28 o  161.666   5.6697  176.217   11.458  172.532   13.700  184.793   20.899  159.147   6.3525  164.186   9.3929 -5.039154 11.33933 
1 1 1  -15   17   29 o  130.113   6.6088  116.112   11.529  116.303   15.248  115.857   17.617  130.351   8.6321  129.874   10.010 0.4760895 13.21758 
1 1 1  -15   17   30 f   53.528   10.743   20.674   8.2380   23.968   11.312   16.954   12.021   57.527   14.511   49.529   15.845 7.997681 21.48565 
1 1 1  -15   17   31 f  144.684   5.7076  136.334   10.480  124.910   12.541  162.777   19.080  135.312   6.8394  154.055   9.1395 -18.74263 11.41523 
1 1 1  -15   17   32 o  141.715   5.8495  136.712   10.461  135.359   12.643  139.648   18.631  140.872   6.6227  142.558   9.6439 -1.686295 11.69899 
1 1 1  -15   17   33 o   68.247   8.8928   34.438   7.6288   38.541   9.6636   27.652   12.428   74.886   9.5227   61.609   15.022 13.27611 17.78567 
1 1 1  -15   17   34 o   83.811   7.6204   49.987   8.1512   53.547   10.192   43.670   13.578   88.374   8.5107   79.248   12.643 9.126465 15.24074 
1 1 1  -15   17   35 o  107.685   6.8356   78.179   9.7936   71.746   12.512   88.356   15.736  102.191   9.0351  113.180   10.260 -10.98874 13.67130 
1 1 1  -15   17   36 o   52.783   14.299   20.220   10.482   20.220   10.482   0.0000   0.0000   52.783   14.299  ?   ?       ?      ? 
1 1 1  -15   17   37 o   54.377   10.766   20.703   8.1630   16.883   10.504   26.528   12.971   48.651   14.694   60.103   15.740 -11.45181 21.53275 
1 1 1  -15   17   38 o   91.944   7.4805   57.607   9.2112   52.864   11.970   64.493   14.423   87.464   10.099   96.424   11.038 -8.959846 14.96100 
1 1 1  -15   17   39 o  107.192   6.6047   77.894   9.1461   74.922   11.246   83.700   15.720  104.484   7.9423  109.901   10.555 -5.417122 13.20945 
1 1 1  -15   17   40 o   53.704   10.005   21.243   7.2800   22.140   9.2778   19.807   11.744   55.177   12.675   52.232   15.484 2.944702 20.01010 
1 1 1  -15   17   41 o   85.285   7.1009   47.476   7.9523   38.667   9.8774   63.705   13.407   74.748   9.7512   95.821   10.325 -21.07343 14.20180 
1 1 1  -15   17   42 o   58.455   9.4424   25.524   7.2376   27.935   9.3640   21.946   11.407   62.333   11.510   54.577   14.972 7.756351 18.88479 
1 1 1  -15   17   43 o   80.960   7.2977   43.927   7.8249   38.138   9.8684   53.730   12.842   74.138   9.8225   87.783   10.795 -13.64487 14.59530 
1 1 1  -15   17   44 o   75.427   7.5890   38.918   7.5891   36.091   9.6378   43.532   12.312   72.066   9.8689   78.788   11.531 -6.722603 15.17796 
1 1 1  -15   17   45 o   25.245   8.0726  -6.3599   6.1169 -12.2968   8.3303   0.5868   9.0110   20.705   9.9783   29.784   12.692 -9.078804 16.14511 
1 1 1  -15   17   46 o   73.924   8.8646   39.174   8.6932   36.926   12.066   41.600   12.535   71.113   13.000   76.734   12.055 -5.620193 17.72919 
1 1 1  -15   17   47 o   45.478   10.558   14.322   7.7693   8.9674   11.076   19.508   10.901   39.709   15.020   51.247   14.842 -11.53841 21.11565 
1 1 1  -15   17   48 o   92.509   7.2160   60.788   8.6912   63.234   11.019   56.761   14.138   95.471   8.5172   89.548   11.651 5.923607 14.43201 
1 1 1  -15   17   49 o  106.825   7.5407   81.818   10.593  103.338   14.947   60.106   15.014  121.766   9.0585   91.885   12.058 29.88166 15.08143 
1 1 1  -15   17   50 o   36.057   10.276   5.4095   7.6736   5.4935   11.639   5.3450   10.206   36.905   14.955   35.208   14.096 1.697491 20.55127 
1 1 1  -15   17   51 o   59.831   10.292   27.186   8.5363   37.496   12.254   17.464   11.898   71.065   13.210   48.597   15.785 22.46833 20.58368 
1 1 1  -15   17   52 o   88.622   8.6384   54.864   10.374   54.864   10.374   0.0000   0.0000   88.622   8.6384  ?   ?       ?      ? 
1 1 1  -15   17   53 o   83.664   8.7343   49.020   9.9025   49.020   9.9025   0.0000   0.0000   83.664   8.7343  ?   ?       ?      ? 
1 1 1  -15   17   54 o   43.563   10.063   13.673   6.7257   12.404   8.6620   15.599   10.673   41.321   13.471   45.804   14.954 -4.483112 20.12645 
1 1 1  -15   17   55 o   39.846   10.256   10.356   7.3369   13.805   10.059   6.4367   10.724   43.413   14.532   36.279   14.476 7.134087 20.51156 
1 1 1  -15   17   56 o   75.282   7.0843   39.850   7.0998   43.463   11.319   37.506   9.1161   77.774   10.739   72.789   9.2419 4.985405 14.16851 
1 1 1  -15   17   57 o   47.117   9.8001   16.614   6.5389   19.631   10.579   14.749   8.3184   50.166   14.647   44.067   13.024 6.099277 19.60022 
1 1 1  -15   17   58 o   52.072   9.4652   20.640   6.6313   23.406   10.411   18.752   8.6019   54.736   13.985   49.408   12.759 5.327827 18.93046 
1 1 1  -15   17   59 o   61.229   8.5952   28.089   6.8252   31.198   10.493   25.809   8.9863   63.998   12.547   58.460   11.751 5.537331 17.19040 
1 1 1  -15   17   60 o   61.467   8.4860   28.954   6.8313   23.948   10.198   33.029   9.2009   55.250   13.690   67.684   10.031 -12.43451 16.97194 
1 1 1  -15   17   61 o   65.493   9.9772   33.710   7.9027   32.587   15.111   34.133   9.2716   62.232   17.296   68.754   9.9512 -6.522022 19.95437 
1 1 1  -15   17   62 o   41.133   9.7702   13.333   6.9381   1.2302   13.467   17.707   8.0952   34.493   15.104   47.773   12.397 -13.28012 19.54030 
1 1 1  -15   17   63 o   67.271   9.1720   29.744   7.6232   50.274   14.735   22.240   8.9079   81.084   13.410   53.458   12.517 27.62557 18.34409 
1 1 1  -15   17   64 o   46.552   11.412   17.427   8.8464   14.660   13.581   19.467   11.659   44.278   16.658   48.826   15.602 -4.547729 22.82350 
1 1 1  -15   17   65 o   41.883   10.824   9.7983   8.6202   23.413   13.433   0.2658   11.240   52.577   16.742   31.190   13.725 21.38715 21.64831 
1 1 1  -15   17   66 o   43.896   16.880   14.362   14.137   14.362   14.137   0.0000   0.0000   43.896   16.880  ?   ?       ?      ? 
1 1 1  -15   17   67 o   39.966   16.050   10.235   13.275   10.235   13.275   0.0000   0.0000   39.966   16.050  ?   ?       ?      ? 
1 1 1  -15   17   68 o   45.934   16.564   17.392   13.191   17.392   13.191   0.0000   0.0000   45.934   16.564  ?   ?       ?      ? 
1 1 1  -15   17   69 o   32.030   14.276   0.0517   12.548   0.0517   12.548   0.0000   0.0000   32.030   14.276  ?   ?       ?      ? 
1 1 1  -15   17   70 o   34.970   14.800   5.4903   12.110   5.4903   12.110   0.0000   0.0000   34.970   14.800  ?   ?       ?      ? 
1 1 1  -15   17   71 o   42.108   16.064   14.262   12.739   14.262   12.739   0.0000   0.0000   42.108   16.064  ?   ?       ?      ? 
1 1 1  -15   18    1 o   51.440   9.2951   19.607   6.5335   22.707   8.4533   15.007   10.297   56.375   11.456   46.505   14.641 9.870224 18.59019 
1 1 1  -15   18    2 o   80.417   7.0236   43.406   7.5423   34.665   9.9122   55.427   11.624   70.982   10.305   89.853   9.5463 -18.87076 14.04711 
1 1 1  -15   18    3 o  134.457   6.9199  119.962   11.825  136.355   21.269  112.628   14.226  140.604   11.162  128.311   8.1817 12.29312 13.83976 
1 1 1  -15   18    4 o  112.810   7.4881   83.701   10.731   98.890   19.455   77.059   12.865  119.582   12.005  106.037   8.9531 13.54494 14.97619 
1 1 1  -15   18    5 o  127.212   5.5278  110.292   9.4929  107.213   12.802  114.053   14.149  125.284   7.5407  129.141   8.0847 -3.856911 11.05550 
1 1 1  -15   18    6 o  134.152   6.3512  125.757   10.903  131.264   13.545  115.625   18.374  138.675   7.2076  129.629   10.459 9.046753 12.70238 
1 1 1  -15   18    7 o   83.066   8.8471   47.339   9.5688   36.926   12.625   61.398   14.669   71.816   13.467   94.315   11.477 -22.49923 17.69420 
1 1 1  -15   18    8 o   68.402   8.9773   33.810   7.9994   25.072   11.555   41.851   11.085   58.818   14.572   77.986   10.489 -19.16737 17.95468 
1 1 1  -15   18    9 o  127.704   6.8791  118.767   11.139   76.214   16.505  154.357   15.094  105.059   11.593  150.349   7.4086 -45.28959 13.75824 
1 1 1  -15   18   10 o  126.264   6.3171  109.190   10.221  109.066   12.561  109.433   17.585  126.389   7.3339  126.138   10.288 0.2510529 12.63410 
1 1 1  -15   18   11 o   95.073   7.0359   59.791   8.6075   55.170   10.458   69.492   15.154   89.761   8.5979  100.385   11.140 -10.62366 14.07177 
1 1 1  -15   18   12 o  115.224   7.5176   90.690   11.738   90.690   11.738   0.0000   0.0000  115.224   7.5176  ?   ?       ?      ? 
1 1 1  -15   18   13 o   89.243   8.3251   54.507   10.068   54.507   10.068   0.0000   0.0000   89.243   8.3251  ?   ?       ?      ? 
1 1 1  -15   18   14 f   68.542   8.4897   32.006   7.4049   29.520   9.1488   36.727   12.609   65.499   10.307   71.585   13.493 -6.085953 16.97932 
1 1 1  -15   18   15 o   80.381   8.2959   47.996   8.0557   53.769   10.030   37.507   13.521   88.626   8.3516   72.135   14.337 16.49049 16.59188 
1 1 1  -15   18   16 o   77.328   7.7860   39.431   7.8877   34.640   9.7588   48.460   13.396   70.956   10.149   83.701   11.810 -12.74476 15.57191 
1 1 1  -15   18   17 o   87.757   7.2712   48.610   8.2790   36.915   10.137   72.036   14.347   73.234   10.215  102.281   10.351 -29.04733 14.54234 
1 1 1  -15   18   18 o  115.976   6.5273   90.807   9.8649   86.994   12.248   97.847   16.644  112.754   8.0160  119.199   10.304 -6.445770 13.05462 
1 1 1  -15   18   19 o  114.453   6.7290   90.254   10.050   90.920   12.648   89.113   16.555  115.248   8.0984  113.658   10.749 1.590187 13.45792 
1 1 1  -15   18   20 o  169.168   6.0141  197.523   13.229  201.241   16.618  191.089   21.858  171.641   7.1447  166.695   9.6762 4.946075 12.02814 
1 1 1  -15   18   21 o  166.763   5.9808  189.944   13.004  188.146   16.272  193.121   21.631  165.932   7.2366  167.594   9.5241 -1.662262 11.96150 
1 1 1  -15   18   22 o  108.514   6.8185   82.532   9.6914   87.823   12.468   74.456   15.405  113.229   8.1255  103.798   10.952 9.431091 13.63705 
1 1 1  -15   18   23 o  107.797   6.6044   81.918   8.9096   85.554   10.854   74.404   15.601  111.883   7.1586  103.710   11.101 8.172272 13.20875 
1 1 1  -15   18   24 o  165.762   5.6335  181.171   11.588  171.421   13.683  205.892   21.789  158.499   6.3706  173.023   9.2929 -14.52386 11.26691 
1 1 1  -15   18   25 o  153.213   6.4837  162.761   13.180  168.546   17.170  154.463   20.564  156.807   8.0800  149.618   10.142 7.189011 12.96746 
1 1 1  -15   18   26 o   93.752   10.277   60.708   13.057   60.708   13.057   0.0000   0.0000   93.752   10.277  ?   ?       ?      ? 
1 1 1  -15   18   27 o   52.350   12.962   19.890   9.1469   19.890   9.1469   0.0000   0.0000   52.350   12.962  ?   ?       ?      ? 
1 1 1  -15   18   28 o  107.139   6.5818   76.919   8.9229   73.258   10.721   85.170   16.095  103.394   7.6519  110.885   10.711 -7.491814 13.16366 
1 1 1  -15   18   29 f  126.875   6.1087  105.776   9.8272   97.571   11.764  124.725   17.877  119.368   7.2725  134.381   9.8170 -15.01247 12.21733 
1 1 1  -15   18   30 o  120.703   6.5492  105.019   9.7385  112.733   11.832   88.820   17.147  128.373   6.8015  113.033   11.194 15.34013 13.09836 
1 1 1  -15   18   31 o   74.299   8.0230   36.237   7.7808   30.745   9.5590   47.021   13.394   66.563   10.597   82.035   12.048 -15.47257 16.04592 
1 1 1  -15   18   32 o   68.081   9.7972   32.076   9.0387   32.076   9.0387   0.0000   0.0000   68.081   9.7972  ?   ?       ?      ? 
1 1 1  -15   18   33 o   55.420   11.984   22.271   8.7381   22.271   8.7381   0.0000   0.0000   55.420   11.984  ?   ?       ?      ? 
1 1 1  -15   18   34 o   36.550   9.1354   6.6123   6.7550   14.870   8.4133  -8.3678   11.332   45.348   13.012   27.752   12.827 17.59659 18.27084 
1 1 1  -15   18   35 o   91.356   6.8275   55.796   8.0418   51.530   9.7964   64.611   14.082   86.455   8.3617   96.258   10.795 -9.803642 13.65498 
1 1 1  -15   18   36 o  102.113   6.5728   70.724   8.5609   67.880   10.382   76.765   15.132   99.323   7.7135  104.901   10.645 -5.578079 13.14559 
1 1 1  -15   18   37 o   81.960   8.0913   50.562   7.9960   56.858   9.9758   39.249   13.373   90.796   8.1076   73.124   14.005 17.67260 16.18258 
1 1 1  -15   18   38 o   87.191   6.8792   49.787   7.8371   41.797   9.6422   65.341   13.453   77.619   9.1670   96.763   10.260 -19.14402 13.75844 
1 1 1  -15   18   39 o   60.308   9.0748   25.583   6.9618   22.426   8.6411   31.421   11.752   55.412   11.865   65.205   13.734 -9.793808 18.14959 
1 1 1  -15   18   40 o   39.754   9.9812   9.5612   6.7068   6.7079   8.6733   13.805   10.577   35.055   13.283   44.453   14.901 -9.398159 19.96235 
1 1 1  -15   18   41 o   68.671   9.7501   34.952   8.7457   34.993   12.030   34.907   12.737   68.872   13.371   68.469   14.194 0.4028931 19.50015 
1 1 1  -15   18   42 o   75.668   9.2611   41.541   9.0057   26.748   12.165   59.479   13.396   59.450   15.078   91.886   10.758 -32.43674 18.52224 
1 1 1  -15   18   43 o   59.426   12.225   27.208   10.071   26.103   17.791   27.729   12.216   58.398   19.318   60.454   14.987 -2.056053 24.44994 
1 1 1  -15   18   44 o   62.529   11.839   26.386   10.006   45.425   17.723   17.479   12.123   76.307   17.511   48.751   15.938 27.55566 23.67821 
1 1 1  -15   18   45 o   40.037   10.074   10.498   6.7445   9.8217   8.6157   11.568   10.839   38.314   13.429   41.760   15.020 -3.445797 20.14797 
1 1 1  -15   18   46 o   59.002   9.3847   25.454   7.1619   22.859   9.0693   29.755   11.673   55.357   12.398   62.646   14.092 -7.289215 18.76940 
1 1 1  -15   18   47 o   74.192   8.2860   40.822   7.6903   42.939   9.6670   37.173   12.692   78.189   9.1235   70.196   13.834 7.993385 16.57201 
1 1 1  -15   18   48 o   42.921   9.9254   13.523   6.9334   17.624   9.0452   7.6824   10.796   48.236   13.373   37.607   14.670 10.62859 19.85074 
1 1 1  -15   18   49 o   68.035   10.234   32.963   9.4353   32.963   9.4353   0.0000   0.0000   68.035   10.234  ?   ?       ?      ? 
1 1 1  -15   18   50 o   82.766   8.8473   48.277   9.9231   48.277   9.9231   0.0000   0.0000   82.766   8.8473  ?   ?       ?      ? 
1 1 1  -15   18   51 o   93.252   6.8924   60.596   8.3984   57.072   10.445   67.041   14.125   90.018   8.5628   96.485   10.803 -6.467468 13.78487 
1 1 1  -15   18   52 o   74.762   7.9033   39.437   7.6818   36.766   9.4786   44.547   13.113   71.765   9.7465   77.759   12.444 -5.993896 15.80660 
1 1 1  -15   18   53 o   62.537   9.0726   27.830   7.1960   22.125   8.8702   38.812   12.307   53.815   12.416   71.259   13.232 -17.44431 18.14517 
1 1 1  -15   18   54 o   63.135   9.3299   32.865   7.5457   38.957   9.4529   22.167   12.527   73.827   9.4485   52.444   16.091 21.38331 18.65973 
1 1 1  -15   18   55 o   46.138   10.310   16.630   7.0571   17.167   8.7070   15.602   12.048   47.001   13.152   45.275   15.880 1.725731 20.61964 
1 1 1  -15   18   56 o   48.037   9.9153   18.833   6.9350   21.590   8.5835   13.650   11.769   52.984   12.206   43.090   15.629 9.894455 19.83070 
1 1 1  -15   18   57 o   39.588   10.046   10.157   6.6348   7.1226   8.1955   15.929   11.302   33.967   12.902   45.209   15.402 -11.24247 20.09228 
1 1 1  -15   18   58 o   61.866   10.225   31.216   8.4203   34.726   11.201   26.656   12.768   67.002   12.804   56.730   15.945 10.27183 20.44963 
1 1 1  -15   18   59 o   53.107   10.729   23.220   8.0891   24.257   10.641   21.800   12.450   54.906   14.197   51.308   16.091 3.598228 21.45833 
1 1 1  -15   18   60 o   37.704   10.743   7.7318   8.3989   11.119   12.799   5.1698   11.131   40.770   15.954   34.639   14.392 6.131042 21.48631 
1 1 1  -15   18   61 f   44.533   10.446   9.9531   8.7500   31.192   13.724  -4.5933   11.358   60.646   16.334   28.419   13.028 32.22766 20.89296 
1 1 1  -15   18   62 o   32.117   9.9949   0.6975   8.4407  -1.0321   12.537   2.1314   11.415   31.730   14.196   32.503   14.073 -0.7727013 19.98977 
1 1 1  -15   18   63 o   37.190   15.476   7.0058   12.900   7.0058   12.900   0.0000   0.0000   37.190   15.476  ?   ?       ?      ? 
1 1 1  -15   18   64 o   47.439   16.683   19.048   13.301   19.048   13.301   0.0000   0.0000   47.439   16.683  ?   ?       ?      ? 
1 1 1  -15   18   65 o   48.630   16.879   20.586   13.595   20.586   13.595   0.0000   0.0000   48.630   16.879  ?   ?       ?      ? 
1 1 1  -15   18   66 o   55.904   17.215   28.461   14.324   28.461   14.324   0.0000   0.0000   55.904   17.215  ?   ?       ?      ? 
1 1 1  -15   18   67 o   31.655   14.156   0.2496   12.451   0.2496   12.451   0.0000   0.0000   31.655   14.156  ?   ?       ?      ? 
1 1 1  -15   19    1 o  143.928   6.3548  144.576   11.467  147.605   13.898  138.118   20.294  146.813   6.9856  141.043   10.618 5.770752 12.70958 
1 1 1  -15   19    2 o   57.627   10.771   21.829   8.7559   12.382   11.051   37.762   14.351   43.610   15.214   71.644   15.250 -28.03429 21.54106 
1 1 1  -15   19    3 o   45.881   9.6023   6.0040   8.1102  -9.7699   10.245   32.485   13.274   25.350   11.876   66.411   15.092 -41.06062 19.20457 
1 1 1  -15   19    4 o  112.543   6.8679   86.686   9.8692   84.989   12.035   90.170   17.244  111.240   7.9838  113.846   11.177 -2.606247 13.73590 
1 1 1  -15   19    5 o  152.436   6.2420  159.223   12.186  157.505   14.935  162.646   21.079  151.613   7.2692  153.260   10.149 -1.646255 12.48399 
1 1 1  -15   19    6 o  173.961   5.3766  204.736   12.555  188.083   16.442  228.033   19.446  165.667   7.3237  182.255   7.8736 -16.58786 10.75311 
1 1 1  -15   19    7 o   76.599   10.813   42.337   9.1128   42.262   10.268   42.612   19.776   78.202   9.6891   74.996   19.335 3.205498 21.62686 
1 1 1  -15   19    8 o   78.431   10.412   40.047   9.1391   36.599   10.283   53.004   19.936   72.659   10.444   84.204   18.016 -11.54527 20.82398 
1 1 1  -15   19    9 o  173.146   5.3765  208.376   12.388  250.538   17.401  165.046   17.640  191.378   6.7095  154.914   8.4028 36.46407 10.75292 
1 1 1  -15   19   10 o  150.557   5.8741  148.811   10.621  141.223   12.284  171.280   21.137  143.762   6.3054  157.352   9.9127 -13.59084 11.74822 
1 1 1  -15   19   11 o  102.537   6.7296   70.822   8.3692   68.664   9.7822   76.715   16.165  100.111   7.2106  104.964   11.365 -4.852257 13.45922 
1 1 1  -15   19   12 o   51.628   9.7961   16.054   6.5158   11.281   7.5984   29.314   12.665   40.190   12.565   63.065   15.032 -22.87527 19.59224 
1 1 1  -15   19   13 o   45.045   10.220   12.304   6.5352   9.4202   7.6840   19.844   12.425   37.696   12.701   52.395   16.016 -14.69901 20.44063 
1 1 1  -15   19   14 o  144.890   5.7775  138.176   10.141  131.124   11.789  158.231   19.882  138.515   6.2808  151.265   9.6990 -12.75046 11.55503 
1 1 1  -15   19   15 o  110.592   6.4616   84.491   8.6334   84.605   10.144   84.190   16.443  111.187   6.7325  109.998   11.031 1.189323 12.92327 
1 1 1  -15   19   16 o   29.838   9.1001   0.2060   6.2449   1.0293   7.4326  -1.7706   11.516   27.763   11.664   31.913   13.971 -4.150278 18.20010 
1 1 1  -15   19   17 f   85.308   7.9234   54.644   7.7504   59.138   9.2347   43.938   14.255   92.858   7.3387   77.758   14.045 15.09994 15.84674 
1 1 1  -15   19   18 o  105.337   6.5514   76.105   8.5236   75.302   10.132   78.052   15.767  104.808   7.1335  105.865   10.991 -1.057129 13.10276 
1 1 1  -15   19   19 o  132.169   5.9728  118.208   9.7312  115.288   11.510  125.525   18.221  129.792   6.5442  134.545   9.9935 -4.752579 11.94556 
1 1 1  -15   19   20 o   93.952   6.8575   59.033   8.1493   55.511   9.7674   67.099   14.783   89.826   8.0240   98.077   11.123 -8.250305 13.71503 
1 1 1  -15   19   21 o   84.983   8.0995   49.462   9.1642   38.171   12.128   64.486   13.990   73.747   12.136   96.218   10.730 -22.47095 16.19905 
1 1 1  -15   19   22 o   75.302   9.4068   41.715   9.1593   47.869   12.315   34.095   13.703   82.823   10.972   67.781   15.283 15.04252 18.81369 
1 1 1  -15   19   23 o  112.607   6.2538   85.162   8.9166   80.976   10.718   94.574   16.070  108.591   7.2834  116.623   10.168 -8.031418 12.50756 
1 1 1  -15   19   24 o   71.619   8.1943   35.839   7.3452   34.523   8.9932   38.477   12.730   70.573   9.4036   72.665   13.422 -2.091698 16.38853 
1 1 1  -15   19   25 o   63.377   9.4580   28.347   7.8073   21.806   10.091   38.101   12.322   54.359   13.703   72.396   13.040 -18.03718 18.91591 
1 1 1  -15   19   26 o   58.659   9.9099   25.126   7.7178   22.605   10.194   28.512   11.814   55.313   13.677   62.005   14.345 -6.692608 19.81979 
1 1 1  -15   19   27 o   62.568   9.9957   29.696   8.3040   33.818   10.603   23.156   13.355   69.416   11.271   55.719   16.511 13.69690 19.99144 
1 1 1  -15   19   28 o   65.973   12.403   31.684   10.682   31.684   10.682   0.0000   0.0000   65.973   12.403  ?   ?       ?      ? 
1 1 1  -15   19   29 o   83.773   10.100   49.002   11.466   49.002   11.466   0.0000   0.0000   83.773   10.100  ?   ?       ?      ? 
1 1 1  -15   19   30 o   79.412   8.6182   46.038   8.7671   49.389   11.420   41.229   13.682   84.082   10.022   74.743   14.023 9.338531 17.23641 
1 1 1  -15   19   31 o   42.051   10.431   11.338   7.3900   8.2767   9.9187   15.157   11.079   37.935   14.243   46.167   15.244 -8.232372 20.86199 
1 1 1  -15   19   32 o   35.490   10.040   4.9569   7.4611   8.3909   10.209   1.0195   10.932   38.275   14.433   32.704   13.959 5.571938 20.07935 
1 1 1  -15   19   33 o   43.046   14.826   12.723   10.479   12.723   10.479   0.0000   0.0000   43.046   14.826  ?   ?       ?      ? 
1 1 1  -15   19   34 o   42.336   14.856   12.098   10.545   12.098   10.545   0.0000   0.0000   42.336   14.856  ?   ?       ?      ? 
1 1 1  -15   19   35 o   30.547   9.1553   1.5510   6.4052   2.9911   7.9153  -1.1809   10.902   30.099   12.282   30.995   13.581 -0.8965511 18.31068 
1 1 1  -15   19   36 f   40.063   9.8714   10.988   6.4934   12.470   7.9600   8.0392   11.227   41.463   12.844   38.662   14.994 2.801308 19.74285 
1 1 1  -15   19   37 o   39.995   9.6841   8.1230   6.4703   2.3129   7.9796   19.276   11.056   29.472   12.210   50.517   15.034 -21.04428 19.36823 
1 1 1  -15   19   38 o   36.606   9.5310   8.2588   6.3681   11.152   7.9591   3.1114   10.616   39.576   12.913   33.636   14.022 5.940659 19.06191 
1 1 1  -15   19   39 o   49.198   10.621   17.767   7.7813   13.622   10.366   23.119   11.778   43.605   14.751   54.791   15.284 -11.18599 21.24159 
1 1 1  -15   19   40 o   52.071   10.478   20.946   7.9550   26.033   10.912   15.175   11.622   58.422   13.971   45.720   15.618 12.70224 20.95544 
1 1 1  -15   19   41 o   86.620   7.2172   52.708   7.9283   51.592   9.6162   55.077   14.010   85.898   8.2611   87.341   11.837 -1.442314 14.43446 
1 1 1  -15   19   42 o   53.699   9.6698   21.163   6.8264   18.591   8.4724   25.923   11.525   49.576   12.588   57.821   14.682 -8.245033 19.33968 
1 1 1  -15   19   43 o   41.184   9.8769   12.362   6.6630   14.757   8.4293   8.3755   10.878   44.233   13.120   38.136   14.768 6.097378 19.75374 
1 1 1  -15   19   44 o   62.244   9.2602   28.980   7.2378   27.916   8.8901   31.072   12.465   61.438   11.086   63.049   14.836 -1.611340 18.52031 
1 1 1  -15   19   45 o   97.859   6.6674   62.842   8.3687   52.916   10.050   85.291   15.114   86.634   8.5603  109.085   10.224 -22.45110 13.33486 
1 1 1  -15   19   46 o   38.512   13.485   10.440   8.6855   10.440   8.6855   0.0000   0.0000   38.512   13.485  ?   ?       ?      ? 
1 1 1  -15   19   47 o   77.866   7.8543   43.110   7.7724   41.265   9.4082   47.076   13.794   76.174   9.1142   79.558   12.794 -3.384087 15.70867 
1 1 1  -15   19   48 o   39.304   9.5534   10.991   6.8391   16.704   8.4827   0.3777   11.561   46.498   12.971   32.109   14.029 14.38931 19.10682 
1 1 1  -15   19   49 o   63.067   9.1911   29.620   7.2472   27.374   8.8513   34.187   12.623   60.410   11.225   65.725   14.557 -5.315594 18.38222 
1 1 1  -15   19   50 o   56.234   9.7067   25.062   7.1121   25.665   8.8011   23.927   12.074   58.215   11.564   54.252   15.594 3.963215 19.41342 
1 1 1  -15   19   51 o   31.635   9.3121   3.3834   6.6910   6.2866   8.4184  -1.5966   11.026   33.279   12.962   29.991   13.373 3.288252 18.62418 
1 1 1  -15   19   52 o   42.366   10.097   11.874   6.7073   7.4751   8.2171   20.658   11.611   34.334   12.949   50.398   15.495 -16.06372 20.19348 
1 1 1  -15   19   53 o   42.479   10.249   12.657   6.7403   9.8588   8.1875   18.540   11.873   37.069   13.083   47.889   15.779 -10.82049 20.49764 
1 1 1  -15   19   54 o   41.471   11.026   11.989   8.7095   6.1578   12.959   16.793   11.762   37.053   15.473   45.890   15.712 -8.836575 22.05181 
1 1 1  -15   19   55 o   40.751   11.201   11.311   8.8754   9.8322   13.423   12.459   11.830   40.055   16.120   41.448   15.556 -1.393227 22.40196 
1 1 1  -15   19   56 o   24.714   8.3540 -12.2440   7.9530 -17.4972   12.033  -8.1688   10.598   23.869   11.618   25.560   12.008 -1.690611 16.70805 
1 1 1  -15   19   57 o   38.411   10.888   8.9978   8.6998   5.6013   13.374   11.489   11.454   36.690   15.543   40.132   15.251 -3.442032 21.77538 
1 1 1  -15   19   58 o   37.789   10.782   6.5878   8.8389   15.699   13.277  -0.6653   11.846   44.511   16.524   31.067   13.857 13.44387 21.56483 
1 1 1  -15   19   59 o   43.154   11.481   14.489   9.1032   15.204   13.396   13.875   12.408   43.890   16.538   42.418   15.929 1.472462 22.96137 
1 1 1  -15   19   60 o   78.037   15.368   51.020   15.673   51.020   15.673   0.0000   0.0000   78.037   15.368  ?   ?       ?      ? 
1 1 1  -15   19   61 o   29.703   13.658  -4.0793   12.614  -4.0793   12.614   0.0000   0.0000   29.703   13.658  ?   ?       ?      ? 
1 1 1  -15   19   62 o   38.625   15.802   9.7812   13.147   9.7812   13.147   0.0000   0.0000   38.625   15.802  ?   ?       ?      ? 
1 1 1  -15   20    1 o   73.836   10.548   45.246   8.5950   49.367   9.7764   31.218   18.037   84.339   8.5539   63.332   19.284 21.00737 21.09630 
1 1 1  -15   20    2 o   84.376   10.546   63.643   9.2228   72.780   10.560   34.264   18.936  102.672   7.5898   66.081   19.678 36.59007 21.09132 
1 1 1  -15   20    3 o   57.262   9.1818   24.619   6.8587   26.184   8.8237   22.230   10.902   60.064   11.254   54.459   14.511 5.604340 18.36351 
1 1 1  -15   20    4 o  115.112   5.8224   92.481   8.9372   96.366   11.797   87.247   13.692  118.220   7.3638  112.003   9.0208 6.217506 11.64474 
1 1 1  -15   20    5 o  162.191   5.2969  176.911   11.494  150.820   14.922  214.974   18.023  147.874   7.4465  176.507   7.5352 -28.63345 10.59383 
1 1 1  -15   20    6 o  155.247   5.2670  166.524   10.991  168.697   14.703  163.771   16.548  156.581   6.9292  153.913   7.9341 2.667709 10.53395 
1 1 1  -15   20    7 o   78.408   7.1254   42.623   7.4804   40.582   9.7559   45.535   11.653   76.305   9.4349   80.511   10.680 -4.206329 14.25087 
1 1 1  -15   20    8 f   84.077   6.9028   50.320   7.6720   55.165   10.144   43.846   11.727   89.224   8.3896   78.929   10.964 10.29561 13.80567 
1 1 1  -15   20    9 o  156.465   10.240  171.492   21.711   0.0000   0.0000  171.492   21.711  ?   ?   156.465   10.240      ?      ? 
1 1 1  -15   20   10 o  171.111   6.0073  214.126   12.068  227.418   14.207  179.682   22.868  182.231   5.7528  159.991   10.548 22.24066 12.01456 
1 1 1  -15   20   11 o  121.682   6.4320  106.708   9.2034  110.949   10.774   95.255   17.704  127.158   6.2522  116.205   11.242 10.95268 12.86393 
1 1 1  -15   20   12 o   50.730   9.8451   19.186   6.5157   19.711   7.6212   17.758   12.561   51.975   11.154   49.486   16.226 2.489479 19.69012 
1 1 1  -15   20   13 o  104.560   6.2684   69.806   8.0023   62.638   9.2705   90.763   15.851   95.344   7.1750  113.776   10.280 -18.43245 12.53671 
1 1 1  -15   20   14 o   93.347   6.9168   62.889   7.6747   65.327   9.0354   56.573   14.542   97.436   6.8430   89.258   12.023 8.178192 13.83367 
1 1 1  -15   20   15 f   84.858   6.8295   46.316   7.1992   40.981   8.4289   60.703   13.842   76.932   8.0850   92.785   11.009 -15.85328 13.65896 
1 1 1  -15   20   16 o   60.370   9.9771   26.535   7.9126   22.809   10.195   32.178   12.548   55.253   13.687   65.487   14.520 -10.23324 19.95420 
1 1 1  -15   20   17 o   34.821   9.9312   4.8060   7.1670   4.6797   9.4991   4.9730   10.920   33.860   13.584   35.783   14.491 -1.923027 19.86230 
1 1 1  -15   20   18 o   56.784   9.2673   20.432   6.5464   14.851   7.6913   35.106   12.471   44.902   12.284   68.667   13.879 -23.76488 18.53462 
1 1 1  -15   20   19 o   65.795   9.0939   35.820   7.0649   41.587   8.4254   22.162   12.966   77.466   8.0259   54.125   16.321 23.34184 18.18786 
1 1 1  -15   20   20 o   69.168   8.5263   32.539   7.1629   29.582   8.4501   40.088   13.501   65.008   9.5920   73.328   14.099 -8.319801 17.05251 
1 1 1  -15   20   21 o   76.174   7.6798   35.788   7.3527   27.623   8.6457   57.127   13.977   62.672   10.180   89.676   11.502 -27.00383 15.35960 
1 1 1  -15   20   22 o   48.955   9.8883   18.098   6.6029   18.989   7.8757   15.989   12.114   50.722   11.697   47.187   15.947 3.535385 19.77655 
1 1 1  -15   20   23 o   68.079   8.5827   31.933   7.1432   29.295   8.4799   38.381   13.255   64.610   9.6852   71.549   14.172 -6.939011 17.16536 
1 1 1  -15   20   24 o   69.215   9.2735   33.546   8.6981   33.546   8.6981   0.0000   0.0000   69.215   9.2735  ?   ?       ?      ? 
1 1 1  -15   20   25 o  100.722   7.2537   70.178   9.9007   70.178   9.9007   0.0000   0.0000  100.722   7.2537  ?   ?       ?      ? 
1 1 1  -15   20   26 o   48.427   9.7988   17.898   6.5927   19.124   8.0177   15.338   11.585   50.751   11.870   46.103   15.594 4.647827 19.59758 
1 1 1  -15   20   27 o   52.541   9.5279   21.685   6.7141   24.179   8.2454   16.777   11.567   57.468   10.988   47.613   15.569 9.854889 19.05574 
1 1 1  -15   20   28 o  112.360   6.0273   75.151   8.4505   55.063   9.8965  129.218   16.236   88.870   8.2176  135.850   8.8194 -46.98019 12.05451 
1 1 1  -15   20   29 o   79.364   7.3212   43.891   7.3667   42.444   8.9072   47.023   13.105   77.934   8.4339   80.795   11.969 -2.860641 14.64240 
1 1 1  -15   20   30 o   58.706   9.2581   26.342   6.9584   27.920   8.5033   23.144   12.106   62.786   9.9941   54.626   15.587 8.160431 18.51620 
1 1 1  -15   20   31 o   65.820   8.3329   27.022   6.8640   16.027   8.2276   52.195   12.449   46.144   12.739   85.495   10.745 -39.35093 16.66576 
1 1 1  -15   20   32 o   65.652   8.4425   29.934   6.9073   25.558   8.3859   39.165   12.181   58.963   10.897   72.342   12.898 -13.37934 16.88507 
1 1 1  -15   20   33 o   32.421   9.2675   2.8577   6.1054  -0.3449   7.4916   9.1913   10.535   26.145   11.360   38.698   14.645 -12.55275 18.53507 
1 1 1  -15   20   34 o   37.463   9.0636   4.8945   6.1729  -3.2265   7.6639   19.894   10.415   24.206   10.941   50.720   14.453 -26.51389 18.12726 
1 1 1  -15   20   35 o   40.647   10.038   11.405   6.5088   10.844   7.9298   12.563   11.394   38.798   12.901   42.495   15.384 -3.696449 20.07689 
1 1 1  -15   20   36 o   42.960   10.498   13.272   7.7127   17.762   10.389   7.7582   11.512   47.951   14.643   37.970   15.046 9.980583 20.99532 
1 1 1  -15   20   37 o   33.212   9.4385   5.2031   6.3813   6.6273   7.8734   2.4766   10.894   33.444   12.660   32.980   14.002 0.4638710 18.87701 
1 1 1  -15   20   38 o   60.382   9.1897   26.286   6.9534   22.800   8.4379   33.664   12.274   54.997   11.682   65.767   14.189 -10.77085 18.37940 
1 1 1  -15   20   39 o   89.133   6.9841   53.550   7.8871   47.899   9.4051   66.941   14.479   82.354   8.4275   95.912   11.140 -13.55814 13.96827 
1 1 1  -15   20   40 o   31.057   9.3809   0.0663   7.4738   6.7925   9.8707  -8.9708   11.441   35.367   13.958   26.748   12.537 8.619154 18.76175 
1 1 1  -15   20   41 o   21.072   10.244 -14.4484   9.2797 -14.4484   9.2797   0.0000   0.0000   21.072   10.244  ?   ?       ?      ? 
1 1 1  -15   20   42 o   35.566   12.883   8.5432   7.9929   8.5432   7.9929   0.0000   0.0000   35.566   12.883  ?   ?       ?      ? 
1 1 1  -15   20   43 o   65.454   9.8025   30.884   8.6947   30.884   8.6947   0.0000   0.0000   65.454   9.8025  ?   ?       ?      ? 
1 1 1  -15   20   44 o   40.001   10.087   9.5128   6.6568   5.3579   8.0489   18.506   11.842   31.922   12.602   48.079   15.754 -16.15636 20.17448 
1 1 1  -15   20   45 o   45.457   10.293   15.681   6.8340   14.425   8.2948   18.335   12.058   43.119   13.066   47.796   15.909 -4.677380 20.58668 
1 1 1  -15   20   46 o   93.131   7.6352   64.548   9.3661   68.385   12.189   59.016   14.634   97.531   9.2228   88.731   12.171 8.799408 15.27042 
1 1 1  -15   20   47 o   57.552   10.380   26.076   8.1219   20.495   10.628   33.912   12.593   50.287   14.681   64.818   14.678 -14.53126 20.76001 
1 1 1  -15   20   48 o   41.453   10.205   12.632   7.5737   18.884   10.121   4.6748   11.418   48.371   14.382   34.536   14.480 13.83524 20.40916 
1 1 1  -15   20   49 o   36.154   10.002   7.3824   7.4543   12.369   10.041   1.2607   11.126   40.606   14.472   31.702   13.809 8.904057 20.00364 
1 1 1  -15   20   50 o   66.634   9.6035   34.357   8.3032   28.472   10.809   42.829   12.969   59.623   13.670   73.645   13.493 -14.02236 19.20696 
1 1 1  -15   20   51 o   44.991   11.310   16.264   8.9651   10.241   13.924   20.530   11.717   40.401   16.362   49.581   15.620 -9.179573 22.62073 
1 1 1  -15   20   52 o   37.445   10.597   7.5824   8.7262  -1.9571   13.649   14.177   11.348   32.294   14.599   42.597   15.363 -10.30248 21.19325 
1 1 1  -15   20   53 o   38.701   10.811   9.6631   8.6877   2.9675   13.769   14.092   11.198   35.073   15.318   42.330   15.262 -7.256645 21.62301 
1 1 1  -15   20   54 o   53.239   11.542   24.947   9.1717   22.251   14.026   26.962   12.123   50.288   17.158   56.190   15.443 -5.902412 23.08431 
1 1 1  -15   20   55 o   35.093   10.434   5.7712   8.4401   2.7402   13.249   7.8412   10.949   34.186   14.975   36.001   14.534 -1.814686 20.86883 
1 1 1  -15   20   56 o   38.832   10.913   10.284   8.4276   12.607   13.428   8.7748   10.825   41.094   16.261   36.569   14.558 4.524944 21.82556 
1 1 1  -15   21    1 o   50.245   10.120   19.270   7.4615   13.193   10.531   25.396   10.573   42.917   14.858   57.573   13.743 -14.65527 20.23941 
1 1 1  -15   21    2 o   66.475   9.0977   32.710   8.0234   37.710   11.694   28.262   11.029   72.125   11.964   60.825   13.709 11.29958 18.19542 
1 1 1  -15   21    3 o   59.305   8.6375   27.133   6.6579   31.343   8.6120   20.878   10.497   66.557   9.5482   52.053   14.397 14.50433 17.27508 
1 1 1  -15   21    4 o   66.755   8.2933   34.241   6.9745   40.059   9.0785   25.861   10.895   75.469   8.8770   58.041   14.011 17.42710 16.58659 
1 1 1  -15   21    5 o   51.787   9.3686   19.786   6.5028   16.979   8.3349   24.152   10.395   47.404   12.713   56.170   13.764 -8.766251 18.73727 
1 1 1  -15   21    6 f   40.522   9.6919   10.787   6.3637   6.9670   8.2354   16.448   10.026   34.402   12.966   46.641   14.409 -12.23935 19.38371 
1 1 1  -15   21    7 o   62.673   8.4786   27.521   6.9493   18.694   8.9378   41.013   11.050   49.621   13.099   75.725   10.768 -26.10413 16.95729 
1 1 1  -15   21    8 o   74.336   7.3022   38.969   7.2749   36.869   9.5080   41.933   11.299   72.149   9.7247   76.523   10.896 -4.373512 14.60431 
1 1 1  -15   21    9 o   42.221   10.183   11.305   6.0191   9.9371   6.7853   16.356   13.040   37.181   11.905   47.262   16.524 -10.08165 20.36586 
1 1 1  -15   21   10 o   58.887   9.4027   25.229   6.4937   24.626   7.4040   27.238   13.517   59.084   9.2472   58.689   16.375 0.3951797 18.80549 
1 1 1  -15   21   11 o   68.742   9.2194   31.828   8.0526   24.751   9.7173   47.341   14.387   57.218   12.847   80.266   13.227 -23.04777 18.43889 
1 1 1  -15   21   12 o   50.388   10.357   20.393   7.7628   24.857   9.6783   12.340   12.998   57.362   12.778   43.415   16.303 13.94659 20.71427 
1 1 1  -15   21   13 o   89.472   7.1150   50.340   7.4484   44.627   8.4173   70.956   15.991   79.988   7.7654   98.956   11.924 -18.96867 14.23005 
1 1 1  -15   21   14 o   46.410   9.6464   17.509   6.3546   20.081   7.2480   8.9594   13.212   52.187   10.610   40.633   16.113 11.55356 19.29277 
1 1 1  -15   21   15 o   87.494   7.2938   50.775   7.5683   46.983   8.6673   62.947   15.530   82.044   7.7957   92.944   12.330 -10.90077 14.58751 
1 1 1  -15   21   16 o   89.695   7.3479   59.970   7.7434   63.077   9.1122   51.897   14.690   95.304   7.0555   84.087   12.891 11.21659 14.69587 
1 1 1  -15   21   17 o   81.601   7.4196   46.294   7.2663   44.770   8.4512   50.615   14.230   80.066   7.7892   83.136   12.630 -3.070366 14.83912 
1 1 1  -15   21   18 o   38.779   10.060   8.3620   6.1274   6.3826   7.0336   14.593   12.479   32.440   12.030   45.117   16.128 -12.67722 20.12045 
1 1 1  -15   21   19 o   33.216   11.948   7.1288   6.8593   7.1288   6.8593   0.0000   0.0000   33.216   11.948  ?   ?       ?      ? 
1 1 1  -15   21   20 o   25.797   11.000   0.6721   6.7768   0.6721   6.7768   0.0000   0.0000   25.797   11.000  ?   ?       ?      ? 
1 1 1  -15   21   21 o   30.588   8.8014   3.2342   5.9862   7.3085   7.0609  -7.1785   11.288   33.591   12.118   27.585   12.768 6.005232 17.60280 
1 1 1  -15   21   22 o   52.438   9.3177   22.291   6.5085   25.069   7.6860   15.248   12.236   59.375   9.5525   45.502   16.001 13.87229 18.63549 
1 1 1  -15   21   23 o   36.968   9.8469   7.2629   6.2982   4.7656   7.5345   13.055   11.475   31.017   12.210   42.919   15.452 -11.90224 19.69388 
1 1 1  -15   21   24 o   55.436   9.7896   22.559   6.7982   20.682   8.0295   27.309   12.775   52.410   11.611   58.462   15.765 -6.051697 19.57923 
1 1 1  -15   21   25 o   44.261   10.105   14.644   6.5751   14.661   7.8622   14.603   11.992   43.909   12.572   44.613   15.825 -0.7038116 20.21096 
1 1 1  -15   21   26 o   40.501   10.082   11.700   6.6075   12.362   7.9097   10.170   12.021   40.669   12.836   40.333   15.550 0.3356247 20.16359 
1 1 1  -15   21   27 o   79.922   8.3908   49.111   7.7376   51.571   9.1866   43.104   14.354   85.671   7.9130   74.174   14.799 11.49657 16.78164 
1 1 1  -15   21   28 o   83.880   7.2578   48.989   7.5977   46.403   9.0323   55.245   14.049   81.123   8.2163   86.638   11.966 -5.515266 14.51565 
1 1 1  -15   21   29 o   74.826   7.7863   38.404   7.3218   34.757   8.6868   47.354   13.606   69.839   9.1787   79.813   12.580 -9.974510 15.57261 
1 1 1  -15   21   30 f   41.176   9.8904   11.328   6.2803   8.5223   7.6162   17.290   11.101   35.342   12.603   47.011   15.246 -11.66893 19.78080 
1 1 1  -15   21   31 o   48.509   10.072   18.429   6.8518   18.503   8.4342   18.285   11.750   48.928   12.633   48.090   15.690 0.8377762 20.14362 
1 1 1  -15   21   32 o   35.993   9.9325   6.7950   7.3520   11.955   9.9501   0.5912   10.911   40.616   14.414   31.371   13.670 9.244905 19.86498 
1 1 1  -15   21   33 o   34.388   9.3175   4.2016   6.0986  -0.7936   7.4626   14.246   10.582   25.449   11.191   43.328   14.900 -17.87896 18.63502 
1 1 1  -15   21   34 o   38.613   10.132   9.8404   6.9493   8.0883   8.9658   12.477   10.999   35.695   13.510   41.531   15.102 -5.835926 20.26310 
1 1 1  -15   21   35 o   43.456   10.370   14.503   7.1908   14.601   9.4163   14.367   11.138   43.421   14.037   43.491   15.268 -0.7056427E-01 20.73981 
1 1 1  -15   21   36 o   73.880   8.7757   41.616   8.3605   42.624   10.839   40.136   13.136   76.439   10.464   71.321   14.091 5.118576 17.55146 
1 1 1  -15   21   37 o   77.256   8.0316   43.536   8.2768   40.734   10.674   47.762   13.109   74.627   10.554   79.884   12.109 -5.257301 16.06311 
1 1 1  -15   21   38 o   27.205   12.089  -1.3139   8.9278  -1.3139   8.9278   0.0000   0.0000   27.205   12.089  ?   ?       ?      ? 
1 1 1  -15   21   39 o   36.246   13.809   8.5056   9.4060   8.5056   9.4060   0.0000   0.0000   36.246   13.809  ?   ?       ?      ? 
1 1 1  -15   21   40 o   55.639   10.421   24.327   7.9165   19.526   10.192   31.629   12.570   49.134   14.386   62.143   15.080 -13.00885 20.84103 
1 1 1  -15   21   41 o   75.275   8.9305   43.502   8.6815   43.483   11.205   43.530   13.731   76.748   10.774   73.801   14.246 2.946640 17.86095 
1 1 1  -15   21   42 o   42.304   10.476   13.095   7.4046   9.3500   9.6376   18.490   11.568   37.117   14.017   47.491   15.571 -10.37411 20.95121 
1 1 1  -15   21   43 o   42.807   9.2629   12.387   7.6786   26.586   10.164  -6.4951   11.720   57.762   13.264   27.852   12.933 29.90986 18.52589 
1 1 1  -15   21   44 o   41.380   10.322   12.972   7.7332   18.615   10.095   4.9562   12.031   47.715   14.404   35.046   14.788 12.66879 20.64375 
1 1 1  -15   21   45 o   29.647   9.2738  -0.3646   7.2654  -1.9301   9.5673   1.7681   11.167   27.436   12.329   31.858   13.856 -4.421736 18.54754 
1 1 1  -15   21   46 o   40.694   10.409   11.544   7.4739   6.5734   9.7371   18.672   11.660   34.182   13.739   47.207   15.641 -13.02529 20.81833 
1 1 1  -15   21   47 o   34.316   10.169   3.8370   8.4983  -5.5921   12.988   10.897   11.238   29.561   13.687   39.070   15.044 -9.509556 20.33810 
1 1 1  -15   21   48 o   48.116   11.798   19.596   9.3364   24.304   14.344   16.136   12.298   51.994   17.354   44.237   15.987 7.756424 23.59515 
1 1 1  -15   21   49 o   45.694   17.315   17.697   14.738   17.697   14.738   0.0000   0.0000   45.694   17.315  ?   ?       ?      ? 
1 1 1  -15   21   51 o   22.938   11.132 -14.1718   10.832   0.0000   0.0000 -14.1718   10.832  ?   ?    22.938   11.132      ?      ? 
1 1 1  -15   21   52 o   20.542   10.128 -17.9806   10.086   0.0000   0.0000 -17.9806   10.086  ?   ?    20.542   10.128      ?      ? 
1 1 1  -15   22    1 o   52.178   8.9595   20.225   7.6786   2.8875   10.877   37.452   10.842   32.929   13.986   71.426   11.201 -38.49660 17.91897 
1 1 1  -15   22    2 o   59.187   9.8044   28.002   7.7790   22.807   11.392   32.540   10.648   53.184   15.102   65.190   12.508 -12.00607 19.60885 
1 1 1  -15   22    3 f   41.298   9.7753   11.650   6.9306   19.772   10.076   4.3569   9.5483   49.933   14.210   32.663   13.427 17.27032 19.55051 
1 1 1  -15   22    4 o   34.505   9.4894   4.9700   6.9792  -3.2964   10.033   12.721   9.7151   27.656   12.508   41.354   14.274 -13.69776 18.97882 
1 1 1  -15   22    5 o   33.724   13.630   5.4205   9.6397   0.0000   0.0000   5.4205   9.6397  ?   ?    33.724   13.630      ?      ? 
1 1 1  -15   22    6 o   60.525   13.577   28.664   10.862   0.0000   0.0000   28.664   10.862  ?   ?    60.525   13.577      ?      ? 
1 1 1  -15   22    7 o   34.343   9.5790   5.1320   7.0158  -1.8082   10.170   11.434   9.6911   28.793   12.841   39.893   14.218 -11.10051 19.15807 
1 1 1  -15   22    8 f   49.185   10.415   17.152   6.9493   13.734   8.2076   25.806   13.060   42.334   13.030   56.036   16.251 -13.70157 20.82952 
1 1 1  -15   22    9 o   47.357   9.5762   19.221   6.9824   24.437   8.2978   6.5671   12.923   56.990   11.144   37.724   15.577 19.26624 19.15241 
1 1 1  -15   22   10 o   49.798   10.067   20.154   6.8712   21.550   8.0796   16.506   13.061   53.260   11.529   46.335   16.506 6.925507 20.13384 
1 1 1  -15   22   11 o   52.061   10.241   19.384   6.9511   15.817   8.2048   28.456   13.084   45.192   12.810   58.930   15.981 -13.73751 20.48142 
1 1 1  -15   22   12 o   42.447   10.417   11.667   6.8008   8.5128   8.0426   19.581   12.740   35.530   12.915   49.363   16.349 -13.83263 20.83447 
1 1 1  -15   22   13 o   38.514   10.246   7.5095   6.7450   3.8659   7.9357   16.992   12.802   30.314   12.325   46.714   16.370 -16.39993 20.49162 
1 1 1  -15   22   14 o   59.843   11.251   26.960   8.7888   26.960   8.7888   0.0000   0.0000   59.843   11.251  ?   ?       ?      ? 
1 1 1  -15   22   15 o   48.680   12.726   18.424   8.4892   18.424   8.4892   0.0000   0.0000   48.680   12.726  ?   ?       ?      ? 
1 1 1  -15   22   16 o   89.854   7.8929   58.632   8.6598   57.784   10.241   60.758   16.223   90.246   8.3738   89.463   13.382 0.7829514 15.78575 
1 1 1  -15   22   17 o  100.278   7.4330   71.109   9.2453   68.016   10.968   78.701   17.183   97.954   8.2630  102.602   12.358 -4.648338 14.86609 
1 1 1  -15   22   18 o   55.606   10.285   22.210   7.4268   17.193   8.8883   33.814   13.519   46.826   13.354   64.386   15.647 -17.56083 20.57100 
1 1 1  -15   22   19 o   52.943   10.053   23.435   7.3772   26.545   9.0454   17.257   12.749   59.061   11.715   46.824   16.341 12.23674 20.10632 
1 1 1  -15   22   20 o  108.921   6.9590   85.157   9.6773   83.934   11.843   87.614   16.788  108.899   8.0251  108.944   11.371 -0.4426575E-01 13.91790 
1 1 1  -15   22   21 o   78.507   8.6884   45.769   8.4851   44.124   10.361   49.119   14.785   78.127   9.7867   78.887   14.359 -0.7601852 17.37688 
1 1 1  -15   22   22 o   45.671   10.118   17.033   7.2745   21.009   9.0713   9.8669   12.177   51.762   12.961   39.579   15.540 12.18257 20.23592 
1 1 1  -15   22   23 o   47.582   10.502   16.412   7.4213   11.215   9.2454   25.828   12.444   39.225   13.897   55.938   15.748 -16.71296 21.00313 
1 1 1  -15   22   24 o   67.999   9.4655   36.628   8.1923   38.867   10.324   32.821   13.462   72.930   10.446   63.067   15.788 9.862537 18.93092 
1 1 1  -15   22   25 o   52.999   10.563   22.712   7.7744   22.200   9.8957   23.539   12.566   52.772   13.713   53.226   16.071 -0.4533195 21.12640 
1 1 1  -15   22   26 o   50.338   10.111   21.452   7.6666   27.178   9.7285   12.069   12.454   59.147   12.527   41.529   15.874 17.61769 20.22144 
1 1 1  -15   22   27 o   30.552   9.5042  -8.6205   8.1488   10.492   13.102 -20.6787   10.406   40.493   16.049   20.612   10.185 19.88104 19.00840 
1 1 1  -15   22   28 o   62.023   11.404   31.012   9.7868   43.371   15.212   22.284   12.784   72.421   15.933   51.626   16.321 20.79458 22.80866 
1 1 1  -15   22   29 o   44.430   10.703   15.648   7.6703   16.429   9.8478   14.444   12.230   45.352   14.323   43.508   15.909 1.843967 21.40687 
1 1 1  -15   22   30 o   51.166   10.569   21.393   7.6931   21.045   9.9312   21.916   12.165   51.070   13.954   51.263   15.878 -0.1924057 21.13778 
1 1 1  -15   22   31 o   36.818   9.3738   7.6877   7.0314   17.004   9.3441  -4.4742   10.676   46.059   13.848   27.577   12.638 18.48157 18.74760 
1 1 1  -15   22   32 o   38.200   10.047   10.283   7.0257   12.387   9.3670   7.5769   10.623   40.321   14.010   36.078   14.403 4.242527 20.09326 
1 1 1  -15   22   33 o   44.978   10.408   16.500   7.3825   18.595   9.4931   13.293   11.743   47.960   13.839   41.997   15.550 5.963047 20.81652 
1 1 1  -15   22   34 o   36.126   13.878   8.5638   9.5495   8.5638   9.5495   0.0000   0.0000   36.126   13.878  ?   ?       ?      ? 
1 1 1  -15   22   35 o   21.980   10.497  -9.6439   8.7654  -9.6439   8.7654   0.0000   0.0000   21.980   10.497  ?   ?       ?      ? 
1 1 1  -15   22   36 o   31.112   9.4329   1.9415   7.0948  -0.7574   9.4092   5.4982   10.802   27.984   12.424   34.240   14.198 -6.256277 18.86583 
1 1 1  -15   22   37 o   24.961   8.1472  -7.8744   6.8761   0.9835   9.3792 -18.1678   10.111   29.141   12.687   20.781   10.225 8.359938 16.29442 
1 1 1  -15   22   38 o   27.751   8.8354  -4.4630   7.1497 -11.0079   9.4997   4.0879   10.858   22.458   10.780   33.045   14.002 -10.58758 17.67072 
1 1 1  -15   22   39 o   28.380   9.2435  -6.3297   8.6303 -19.0682   14.076   1.3434   10.925   25.685   12.516   31.076   13.606 -5.390974 18.48705 
1 1 1  -15   22   40 o   41.536   11.614   11.833   9.4491   18.046   15.450   8.1205   11.943   46.191   17.674   36.882   15.072 9.308868 23.22820 
1 1 1  -15   22   41 o   35.177   10.642   5.1713   9.0198   0.3239   14.971   7.9338   11.301   34.179   15.385   36.176   14.709 -1.997044 21.28469 
1 1 1  -15   22   42 o   39.297   11.213   7.1056   9.1569   21.347   15.581  -0.4083   11.318   48.461   17.918   30.132   13.484 18.32950 22.42512 
1 1 1  -15   22   43 o   29.936   13.364  -0.0765   11.044   0.0000   0.0000  -0.0765   11.044  ?   ?    29.936   13.364      ?      ? 
1 1 1  -15   22   44 o   43.769   15.923   16.491   12.230   0.0000   0.0000   16.491   12.230  ?   ?    43.769   15.923      ?      ? 
1 1 1  -15   22   45 o   24.027   11.563 -11.8854   11.100   0.0000   0.0000 -11.8854   11.100  ?   ?    24.027   11.563      ?      ? 
1 1 1  -15   22   46 o   26.363   12.328  -5.8350   10.952   0.0000   0.0000  -5.8350   10.952  ?   ?    26.363   12.328      ?      ? 
1 1 1  -15   22   47 f   45.582   16.026   19.074   12.274   0.0000   0.0000   19.074   12.274  ?   ?    45.582   16.026      ?      ? 
1 1 1  -15   22   48 o   43.846   16.183   17.683   12.699   0.0000   0.0000   17.683   12.699  ?   ?    43.846   16.183      ?      ? 
1 1 1  -15   22   49 o   30.434   13.664   0.9787   11.721   0.0000   0.0000   0.9787   11.721  ?   ?    30.434   13.664      ?      ? 
1 1 1  -15   23    1 o   28.971   9.1948  -2.0965   7.3573  -4.1797   9.5165   0.9985   11.600   26.038   11.932   31.903   13.993 -5.865101 18.38951 
1 1 1  -15   23    2 o   45.864   10.846   17.361   8.2707   21.791   10.699   10.781   13.038   51.415   14.647   40.314   16.000 11.10073 21.69200 
1 1 1  -15   23    3 o   55.337   10.909   24.585   8.6297   17.208   11.299   34.912   13.369   45.943   15.401   64.731   15.454 -18.78776 21.81837 
1 1 1  -15   23    4 o   47.959   11.053   19.140   8.3514   21.846   11.298   15.880   12.400   51.246   15.186   44.673   16.065 6.573723 22.10697 
1 1 1  -15   23    5 o   43.921   11.052   15.293   8.3230   17.027   11.045   13.013   12.661   45.767   15.225   42.075   16.023 3.692249 22.10344 
1 1 1  -15   23    6 o   36.216   10.325   7.3136   7.8974   9.9397   10.423   3.7744   12.100   38.106   14.532   34.325   14.670 3.780682 20.64928 
1 1 1  -15   23    7 o   61.619   10.751   30.228   9.2100   18.934   12.080   45.907   14.233   47.805   15.924   75.433   14.450 -27.62843 21.50276 
1 1 1  -15   23    8 o   56.525   14.860   26.405   11.532   26.405   11.532   0.0000   0.0000   56.525   14.860  ?   ?       ?      ? 
1 1 1  -15   23    9 o   51.472   14.945   21.933   11.040   21.933   11.040   0.0000   0.0000   51.472   14.945  ?   ?       ?      ? 
1 1 1  -15   23   10 o   36.495   14.264   8.4161   10.221   8.4161   10.221   0.0000   0.0000   36.495   14.264  ?   ?       ?      ? 
1 1 1  -15   23   11 o   43.460   10.657   11.234   8.4170   0.7769   10.879   26.826   13.284   30.975   13.569   55.946   16.437 -24.97164 21.31430 
1 1 1  -15   23   12 o   53.882   11.361   24.782   8.9227   26.002   11.800   23.154   13.636   55.847   15.189   51.916   16.900 3.930820 22.72300 
1 1 1  -15   23   13 o   45.263   10.656   15.718   8.4861   25.354   11.707   5.0492   12.318   55.130   15.186   35.397   14.951 19.73329 21.31102 
1 1 1  -15   23   14 o   37.229   10.375   7.9132   8.0103   13.555   11.218   2.0449   11.442   42.027   15.257   32.430   14.065 9.597210 20.75083 
1 1 1  -15   23   15 o   44.698   10.276   14.026   8.1586   27.158   11.830   2.1145   11.267   57.116   15.067   32.280   13.979 24.83565 20.55264 
1 1 1  -15   23   16 o   44.011   10.841   15.018   8.2081   20.859   11.688   9.3346   11.529   49.880   15.582   38.143   15.075 11.73776 21.68109 
1 1 1  -15   23   17 o   30.832   9.5576   0.3813   7.7265  -2.9772   10.964   3.6944   10.890   28.673   13.011   32.992   14.003 -4.318705 19.11510 
1 1 1  -15   23   18 o   47.229   9.8030   15.064   8.3487  -1.9656   11.522   33.884   12.113   29.929   13.482   64.529   14.234 -34.59975 19.60593 
1 1 1  -15   23   19 o   46.198   10.966   17.054   8.4127   23.920   12.116   10.662   11.690   53.067   15.726   39.328   15.287 13.73890 21.93198 
1 1 1  -15   23   20 o   58.856   11.117   29.426   9.1685   35.634   13.128   23.514   12.810   65.440   15.109   52.271   16.310 13.16808 22.23344 
1 1 1  -15   23   21 o   41.698   10.395   11.030   8.4687  -1.8647   12.005   23.805   11.949   30.479   13.743   52.917   15.601 -22.43822 20.79047 
1 1 1  -15   23   22 o   68.355   15.285   39.072   13.804   0.0000   0.0000   39.072   13.804  ?   ?    68.355   15.285      ?      ? 
1 1 1  -15   23   23 o   56.981   16.361   28.263   13.297   0.0000   0.0000   28.263   13.297  ?   ?    56.981   16.361      ?      ? 
1 1 1  -15   23   24 o   50.722   11.109   21.811   9.2778   10.091   13.476   32.373   12.793   39.595   16.075   61.850   15.338 -22.25570 22.21877 
1 1 1  -15   23   25 o   42.554   10.806   11.700   8.7863   24.971   13.061   0.7295   11.875   53.372   16.439   31.736   14.029 21.63599 21.61148 
1 1 1  -15   23   26 o   57.299   11.027   27.222   9.1517   40.437   13.923   17.169   12.144   69.293   15.242   45.305   15.940 23.98816 22.05413 
1 1 1  -15   23   27 o   50.692   10.605   19.767   8.8449   36.831   13.315   6.2895   11.833   65.968   15.206   35.416   14.787 30.55199 21.21045 
1 1 1  -15   23   28 o   37.284   10.636   7.9285   8.3684   13.737   12.621   3.3714   11.179   41.932   15.991   32.635   14.028 9.296707 21.27209 
1 1 1  -15   23   29 o   32.655   10.036   2.7396   8.2426   3.5172   12.210   2.0885   11.173   33.630   14.558   31.679   13.818 1.950806 20.07142 
1 1 1  -15   23   30 o   34.825   14.889   5.0693   12.472   5.0693   12.472   0.0000   0.0000   34.825   14.889  ?   ?       ?      ? 
1 1 1  -15   23   31 o   32.963   10.132   3.0131   8.4876   0.1032   12.711   5.3548   11.402   31.851   14.269   34.076   14.388 -2.224905 20.26408 
1 1 1  -15   23   32 o   32.376   9.7042   2.2992   8.1349 -10.4712   13.095   10.324   10.381   27.205   12.948   37.546   14.458 -10.34028 19.40838 
1 1 1  -15   23   33 o   30.869   9.6215   0.3833   8.2004  -8.4731   13.042   6.1742   10.546   27.885   13.168   33.853   14.032 -5.967760 19.24297 
1 1 1  -15   23   34 o   34.161   10.383   3.7038   8.4578   10.587   13.817  -0.4207   10.696   39.119   16.125   29.202   13.086 9.917191 20.76625 
1 1 1  -15   23   35 o   25.545   8.5601  -9.4242   8.1224 -20.2707   13.370  -3.0793   10.226   24.093   11.835   26.997   12.371 -2.904730 17.12025 
1 1 1  -15   23   36 o   35.265   10.688   5.1894   8.8974   11.634   14.512   1.3077   11.263   39.824   16.480   30.705   13.614 9.118191 21.37590 
1 1 1  -15   23   37 o   37.753   11.087   8.2282   9.1358   16.642   15.002   3.2690   11.518   43.405   17.183   32.102   14.015 11.30346 22.17400 
1 1 1  -15   23   38 o   42.039   11.448   13.600   9.2014   23.855   14.848   7.2064   11.724   49.177   17.591   34.901   14.655 14.27551 22.89591 
1 1 1  -15   23   39 o   32.541   13.994   4.7516   11.134   0.0000   0.0000   4.7516   11.134  ?   ?    32.541   13.994      ?      ? 
1 1 1  -15   23   40 o   50.584   15.946   24.327   12.210   0.0000   0.0000   24.327   12.210  ?   ?    50.584   15.946      ?      ? 
1 1 1  -15   23   41 o   55.373   16.534   29.988   13.354   0.0000   0.0000   29.988   13.354  ?   ?    55.373   16.534      ?      ? 
1 1 1  -15   23   42 o   37.350   15.276   11.050   12.281   0.0000   0.0000   11.050   12.281  ?   ?    37.350   15.276      ?      ? 
1 1 1  -15   23   43 o   33.801   14.390   7.0646   11.561   0.0000   0.0000   7.0646   11.561  ?   ?    33.801   14.390      ?      ? 
1 1 1  -15   23   44 o   40.350   15.555   15.298   12.026   0.0000   0.0000   15.298   12.026  ?   ?    40.350   15.555      ?      ? 
1 1 1  -15   23   45 o   48.530   16.611   24.777   13.147   0.0000   0.0000   24.777   13.147  ?   ?    48.530   16.611      ?      ? 
1 1 1  -15   24    1 o   32.658   10.216   2.1863   8.9007   2.3944   12.125   1.9432   13.108   32.361   14.247   32.955   14.645 -0.5948486 20.43195 
1 1 1  -15   24    2 o   57.985   16.514   30.849   13.602   30.849   13.602   0.0000   0.0000   57.985   16.514  ?   ?       ?      ? 
1 1 1  -15   24    3 o   36.018   15.016   7.5886   12.177   7.5886   12.177   0.0000   0.0000   36.018   15.016  ?   ?       ?      ? 
1 1 1  -15   24    4 f   35.473   10.406   5.8907   8.5322  -0.9386   11.805   13.359   12.345   30.113   13.598   40.833   15.755 -10.71957 20.81165 
1 1 1  -15   24    5 o   34.944   10.155   4.1549   8.4397   15.301   12.133  -6.2951   11.748   42.596   15.799   27.292   12.764 15.30402 20.31096 
1 1 1  -15   24    6 o   57.087   11.190   28.779   9.5091   41.801   13.955   17.490   12.992   69.475   15.241   44.700   16.389 24.77487 22.38093 
1 1 1  -15   24    7 o   48.124   11.476   20.926   8.9208   18.889   13.053   22.710   12.220   46.026   16.490   50.223   15.965 -4.196415 22.95250 
1 1 1  -15   24    8 o   51.978   11.489   24.581   8.9877   24.057   12.875   25.079   12.552   51.328   16.395   52.628   16.100 -1.299728 22.97841 
1 1 1  -15   24    9 o   58.301   11.051   30.025   9.3064   41.400   13.566   19.912   12.791   69.533   14.849   47.069   16.371 22.46375 22.10147 
1 1 1  -15   24   10 o   36.590   10.555   8.5751   8.2036   9.9199   12.455   7.5446   10.903   38.004   15.445   35.175   14.391 2.828636 21.11031 
1 1 1  -15   24   11 o   39.427   10.169   10.253   8.3927  -4.5852   12.695   21.773   11.186   29.166   13.514   49.688   15.198 -20.52236 20.33742 
1 1 1  -15   24   12 o   37.029   10.096   6.9891   8.4793  -8.2617   12.769   19.019   11.341   27.594   13.030   46.464   15.426 -18.86971 20.19295 
1 1 1  -15   24   13 o   46.529   11.446   18.503   9.0262   26.487   13.625   12.259   12.049   53.328   16.848   39.730   15.499 13.59724 22.89276 
1 1 1  -15   24   14 o   38.404   10.276   6.4405   8.3860   23.158   12.809  -6.0990   11.094   50.263   16.381   26.545   12.411 23.71749 20.55174 
1 1 1  -15   24   15 o   37.908   10.855   9.9216   8.6152   11.877   12.997   8.3890   11.506   39.669   15.898   36.147   14.785 3.522129 21.71091 
1 1 1  -15   24   16 o   28.567   9.2897  -4.6986   8.1320   2.4527   12.776  -9.5695   10.544   32.911   14.550   24.224   11.554 8.686554 18.57932 
1 1 1  -15   24   17 o   38.518   15.086   11.300   11.451   0.0000   0.0000   11.300   11.451  ?   ?    38.518   15.086      ?      ? 
1 1 1  -15   24   18 o   36.376   14.701   9.0151   11.215   0.0000   0.0000   9.0151   11.215  ?   ?    36.376   14.701      ?      ? 
1 1 1  -15   24   19 o   48.411   11.519   21.581   8.9093   22.021   13.356   21.228   11.959   48.529   16.737   48.293   15.832 0.2360229 23.03860 
1 1 1  -15   24   20 o   31.457   9.7924   2.3452   8.0278   1.4355   12.514   2.9814   10.465   31.907   14.236   31.008   13.450 0.8995514 19.58486 
1 1 1  -15   24   21 o   32.563   9.9414   3.4984   7.9551   8.1242   12.274   0.1483   10.446   36.087   15.063   29.039   12.978 7.047626 19.88276 
1 1 1  -15   24   22 o   25.992   8.6660  -8.1926   7.6585  -1.0339   12.293 -12.7338   9.7908   30.209   13.735   21.775   10.571 8.434622 17.33205 
1 1 1  -15   24   23 o   30.363   9.4798   0.8363   8.0001  -8.3012   13.004   6.4008   10.148   27.506   13.036   33.220   13.767 -5.713995 18.95970 
1 1 1  -15   24   24 o   40.534   9.9967   4.8925   8.4773   31.531   13.545 -12.2615   10.869   57.696   16.496   23.373   11.297 34.32327 19.99331 
1 1 1  -15   24   25 f   29.138   13.587  -4.5665   13.156  -4.5665   13.156   0.0000   0.0000   29.138   13.587  ?   ?       ?      ? 
1 1 1  -15   24   26 o   57.762   17.633   33.494   15.066   33.494   15.066   0.0000   0.0000   57.762   17.633  ?   ?       ?      ? 
1 1 1  -15   24   27 o   35.290   10.549   6.4175   8.6233   13.975   13.655   1.4035   11.122   40.426   16.263   30.153   13.439 10.27362 21.09710 
1 1 1  -15   24   28 o   43.870   11.555   17.518   9.1067   23.346   14.282   13.525   11.822   48.108   17.248   39.631   15.382 8.476414 23.10998 
1 1 1  -15   24   29 o   43.478   11.540   16.957   9.0355   24.059   14.637   12.585   11.485   48.360   17.446   38.595   15.111 9.764835 23.08048 
1 1 1  -15   24   30 o   30.203   9.6995  -0.6397   8.2385   5.9981   13.835  -4.2866   10.255   34.630   15.233   25.776   12.012 8.854027 19.39904 
1 1 1  -15   24   31 o   31.593   10.001   0.9954   8.3811   9.8601   14.304  -3.6386   10.342   37.049   15.895   26.136   12.141 10.91295 20.00102 
1 1 1  -15   24   32 o   36.952   10.700   10.879   8.8581   3.9557   14.621   14.893   11.134   33.653   15.171   40.251   15.094 -6.598114 21.40098 
1 1 1  -15   24   33 o   40.357   10.866   15.241   8.9217   5.7032   14.549   20.990   11.295   34.356   15.338   46.357   15.395 -12.00064 21.73162 
1 1 1  -15   24   34 o   43.506   10.572   18.223   9.2289   0.2903   14.877   29.441   11.766   31.722   14.674   55.290   15.222 -23.56787 21.14338 
1 1 1  -15   24   35 o   37.312   14.972   12.317   11.541   0.0000   0.0000   12.317   11.541  ?   ?    37.312   14.972      ?      ? 
1 1 1  -15   24   36 o   33.883   14.289   8.4017   11.223   0.0000   0.0000   8.4017   11.223  ?   ?    33.883   14.289      ?      ? 
1 1 1  -15   25    3 o   18.131   9.1337 -26.5892   10.329 -26.5892   10.329   0.0000   0.0000   18.131   9.1337  ?   ?       ?      ? 
1 1 1  -15   25    4 o   35.025   10.267   7.5336   8.5883  -1.9449   12.159   16.971   12.133   28.506   13.214   41.544   15.718 -13.03823 20.53463 
1 1 1  -15   25    5 o   28.940   9.3263  -0.0569   8.1331  -2.9913   11.828   2.5750   11.202   27.709   12.908   30.170   13.464 -2.460939 18.65256 
1 1 1  -15   25    6 o   31.734   9.8543   4.4385   8.1289   6.9561   12.097   2.3658   10.976   33.600   14.518   29.868   13.329 3.732012 19.70856 
1 1 1  -15   25    7 o   30.560   9.5519   1.0155   7.9972   10.606   12.100  -6.4244   10.657   36.227   15.024   24.894   11.799 11.33261 19.10380 
1 1 1  -15   25    8 o   25.234   8.4091  -9.9111   7.4583   4.0944   11.641 -19.6646   9.7141   31.462   13.900   19.006   9.4678 12.45607 16.81813 
1 1 1  -15   25    9 o   32.304   9.9106   5.5264   8.1087   2.7601   11.922   7.9079   11.061   30.848   13.820   33.761   14.209 -2.912420 19.82118 
1 1 1  -15   25   10 o   36.446   9.4369   4.6865   8.4954 -21.4306   12.860   24.912   11.316   22.405   11.116   50.487   15.253 -28.08159 18.87384 
1 1 1  -15   25   11 o   34.777   14.553   9.0351   11.497   0.0000   0.0000   9.0351   11.497  ?   ?    34.777   14.553      ?      ? 
1 1 1  -15   25   12 o   25.938   12.081  -3.4413   10.353   0.0000   0.0000  -3.4413   10.353  ?   ?    25.938   12.081      ?      ? 
1 1 1  -15   25   13 o   24.082   8.1685  -9.3146   7.7935 -16.6000   12.329  -4.4659   10.058   23.095   11.349   25.068   11.751 -1.972742 16.33705 
1 1 1  -15   25   14 o   33.540   10.107   7.3717   8.2421   2.7384   12.951   10.526   10.685   31.451   14.219   35.629   14.367 -4.177876 20.21394 
1 1 1  -15   25   15 o   33.046   10.137   6.5521   8.4186   4.6856   12.875   7.9463   11.127   32.443   14.460   33.648   14.211 -1.205219 20.27431 
1 1 1  -15   25   16 o   31.356   9.6226   3.4926   8.2041  -7.0043   12.614   11.189   10.801   26.584   12.668   36.128   14.488 -9.543846 19.24515 
1 1 1  -15   25   17 o   29.356   9.4793   0.4858   8.2309   2.9260   12.936  -1.1742   10.669   31.391   14.200   27.321   12.562 4.069094 18.95867 
1 1 1  -15   25   18 o   30.041   9.5952   1.8708   8.1434   4.9228   12.863  -0.1707   10.520   32.391   14.444   27.691   12.635 4.699965 19.19031 
1 1 1  -14    0    1 o  335.163   6.9468  762.383   31.521   0.0000   0.0000  762.383   31.521  335.163   6.9468  335.163   6.9468 -0.000000 0.000000 
1 1 1  -14    0    2 o  507.317   9.0478  1746.55   62.157   0.0000   0.0000  1746.55   62.157  507.317   9.0478  507.317   9.0478 -0.000000 0.000000 
1 1 1  -14    0    3 o  303.053   6.6107  623.890   27.076  598.320   37.690  651.160   38.923  296.618   9.3979  309.488   9.2997 -0.000000 0.000000 
1 1 1  -14    0    4 o  498.828   8.9357  1690.53   60.303  1652.72   84.292  1730.18   86.307  493.105   12.633  504.550   12.641 -0.000000 0.000000 
1 1 1  -14    0    5 f   62.548   7.8946   29.107   5.9747   25.434   8.4899   32.710   8.4096   57.681   12.370   67.414   9.8117 -0.000000 0.000000 
1 1 1  -14    0    6 o  465.371   8.5169  1471.94   53.630  1472.54   75.900  1471.35   75.788  465.464   12.051  465.277   12.038 -0.000000 0.000000 
1 1 1  -14    0    9 o   46.542   15.037   18.647   8.3797   18.647   8.3797   0.0000   0.0000   46.542   15.037   46.542   15.037 -0.000000 0.000000 
1 1 1  -14    0   10 o  513.270   9.1569  1790.52   63.597  1772.56   89.503  1808.83   90.383  510.665   12.952  515.875   12.947 -0.000000 0.000000 
1 1 1  -14    0   11 o  327.136   6.9339  726.870   30.659  695.789   42.657  760.086   44.097  319.882   9.8616  334.389   9.7501 -0.000000 0.000000 
1 1 1  -14    0   12 o  514.125   9.1813  1796.02   63.864  1761.06   89.396  1832.46   91.269  509.008   12.979  519.241   12.989 -0.000000 0.000000 
1 1 1  -14    0   13 o  338.281   7.0649  777.803   32.319  762.379   45.388  793.667   46.032  334.867   10.022  341.694   9.9603 -0.000000 0.000000 
1 1 1  -14    0   14 o  118.540   6.0442   96.464   9.5085  113.797   13.871   81.101   13.059  128.824   8.0171  108.255   9.0474 -0.000000 0.000000 
1 1 1  -14    0   15 o  582.777   10.100  2307.92   79.648  2345.74  113.812  2271.61  111.501  587.459   14.316  578.094   14.253 -0.000000 0.000000 
1 1 1  -14    0   16 o  341.420   7.1148  792.412   32.853  790.515   46.538  794.296   46.384  341.008   10.091  341.832   10.033 -0.000000 0.000000 
1 1 1  -14    0   17 o  110.740   6.1807   84.758   9.1272   82.952   13.190   86.418   12.643  109.516   9.0288  111.964   8.4431 -0.000000 0.000000 
1 1 1  -14    0   18 o  302.628   6.7433  622.372   27.584  638.958   39.585  606.717   38.459  306.555   9.5497  298.701   9.5231 -0.000000 0.000000 
1 1 1  -14    0   19 o  407.694   7.8904  1129.17   43.511  1149.77   62.275  1109.53   60.817  411.330   11.191  404.058   11.126 -0.000000 0.000000 
1 1 1  -14    0   20 o  262.260   6.4285  467.976   22.781  464.376   32.428  471.484   32.010  261.249   9.1855  263.270   8.9959 -0.000000 0.000000 
1 1 1  -14    0   21 o  274.863   6.5389  513.844   24.290  515.152   34.659  512.580   34.052  275.200   9.3179  274.526   9.1765 -0.000000 0.000000 
1 1 1  -14    0   22 o  493.829   8.9686  1656.32   59.916  1688.93   85.818  1625.31   83.691  498.575   12.721  489.084   12.646 -0.000000 0.000000 
1 1 1  -14    0   23 o  498.994   12.766  1691.73   86.197   0.0000   0.0000  1691.73   86.197  498.994   12.766  498.994   12.766 -0.000000 0.000000 
1 1 1  -14    0   24 o  823.448   19.076  4609.38  212.607   0.0000   0.0000  4609.38  212.607  823.448   19.076  823.448   19.076 -0.000000 0.000000 
1 1 1  -14    0   25 f  516.596   9.2940  1813.15   64.967  1808.50   92.044  1817.76   91.712  515.931   13.184  517.261   13.103 -0.000000 0.000000 
1 1 1  -14    0   26 o  1576.96   24.726 16962.10  527.781 17123.62  751.513 16804.91  741.380  1584.36   35.041  1569.57   34.895 -0.000000 0.000000 
1 1 1  -14    0   27 o  364.821   7.4864  904.529   36.938  902.808   52.536  906.213   51.946  364.470   10.657  365.172   10.517 -0.000000 0.000000 
1 1 1  -14    0   28 o  218.962   6.2782  326.781   18.535  307.347   26.161  346.371   26.265  212.356   9.1291  225.569   8.6211 -0.000000 0.000000 
1 1 1  -14    0   29 o  1096.24   17.490  8175.78  259.529  8209.12  368.266  8142.89  365.805  1098.46   24.768  1094.03   24.702 -0.000000 0.000000 
1 1 1  -14    0   30 o  291.469   6.7986  577.716   26.783  565.603   37.770  589.969   37.986  288.377   9.6898  294.561   9.5389 -0.000000 0.000000 
1 1 1  -14    0   31 o  517.923   13.244  1822.45   92.819  1822.45   92.819   0.0000   0.0000  517.923   13.244  517.923   13.244 -0.000000 0.000000 
1 1 1  -14    0   32 o  470.448   8.7418  1503.70   55.643  1499.59   78.779  1507.79   78.604  469.802   12.394  471.093   12.332 -0.000000 0.000000 
1 1 1  -14    0   33 o  622.955   10.724  2636.36   90.404  2666.67  128.981  2607.09  126.748  626.475   15.213  619.435   15.120 -0.000000 0.000000 
1 1 1  -14    0   34 o  266.686   6.6422  483.994   23.930  471.334   33.880  496.598   33.805  263.177   9.5280  270.196   9.2572 -0.000000 0.000000 
1 1 1  -14    0   35 o  593.752   10.352  2395.23   83.169  2416.52  118.520  2374.58  116.738  596.350   14.686  591.153   14.592 -0.000000 0.000000 
1 1 1  -14    0   36 o  434.602   8.3463  1283.48   49.070  1285.49   69.848  1281.52   68.950  434.931   11.871  434.272   11.736 -0.000000 0.000000 
1 1 1  -14    0   37 o  596.331   10.400  2416.68   83.928  2414.65  119.038  2418.69  118.349  596.075   14.757  596.587   14.659 -0.000000 0.000000 
1 1 1  -14    0   38 o  211.073   6.4108  302.928   18.234  317.617   26.675  290.045   24.981  215.878   9.1558  206.268   8.9758 -0.000000 0.000000 
1 1 1  -14    0   39 o  1523.05   23.973 15844.65  494.152 16084.70  706.444 15614.67  691.469  1534.32   34.014  1511.79   33.790 -0.000000 0.000000 
1 1 1  -14    0   40 o  471.610   8.8181  1510.20   56.233  1553.57   81.261  1470.34   77.898  478.104   12.562  465.116   12.379 -0.000000 0.000000 
1 1 1  -14    0   41 o  505.539   9.2503  1736.54   63.259  1761.74   90.734  1712.70   88.241  509.102   13.172  501.975   12.992 -0.000000 0.000000 
1 1 1  -14    0   42 o  391.990   7.9977  1037.79   42.246  1126.10   63.157  966.276   56.832  407.000   11.472  376.979   11.147 -0.000000 0.000000 
1 1 1  -14    0   43 o  596.683   14.700  2420.64  118.699   0.0000   0.0000  2420.64  118.699  596.683   14.700  596.683   14.700 -0.000000 0.000000 
1 1 1  -14    0   44 o  704.598   11.915  3377.34  113.620  3360.99  160.688  3393.68  160.679  702.883   16.892  706.313   16.809 -0.000000 0.000000 
1 1 1  -14    0   45 o  612.940   10.680  2555.24   88.587  2561.13  126.020  2549.49  124.554  613.628   15.176  612.252   15.033 -0.000000 0.000000 
1 1 1  -14    0   46 o  746.726   12.519  3795.37  126.512  3825.19  180.285  3766.44  177.576  749.607   17.770  743.844   17.639 -0.000000 0.000000 
1 1 1  -14    0   47 o  544.934   9.7923  2019.23   72.189  2051.39  103.516  1988.78  100.722  549.152   13.930  540.716   13.766 -0.000000 0.000000 
1 1 1  -14    0   48 o   80.880   9.8138   48.938   9.5093   41.159   13.886   55.808   13.049   73.187   15.985   88.572   11.389 -0.000000 0.000000 
1 1 1  -14    0   49 o  523.746   13.545  1866.59   95.987  1866.59   95.987   0.0000   0.0000  523.746   13.545  523.746   13.545 -0.000000 0.000000 
1 1 1  -14    0   50 o  201.777   6.5768  277.587   17.879  285.559   25.990  270.425   24.633  204.521   9.4230  199.033   9.1775 -0.000000 0.000000 
1 1 1  -14    0   51 o  242.873   6.7214  401.418   22.015  413.415   32.148  390.823   30.210  246.276   9.6667  239.470   9.3415 -0.000000 0.000000 
1 1 1  -14    0   52 o  352.569   7.5939  846.287   36.194  839.960   51.756  852.341   50.633  351.252   10.897  353.887   10.580 -0.000000 0.000000 
1 1 1  -14    0   53 o  136.193   6.9328  127.982   12.603  125.671   18.453  130.003   17.254  134.920   10.228  137.467   9.3620 -0.000000 0.000000 
1 1 1  -14    0   54 o  200.980   6.6201  276.200   17.906  270.598   25.979  281.270   24.715  198.967   9.6876  202.993   9.0252 -0.000000 0.000000 
1 1 1  -14    0   55 o  277.613   6.9769  525.086   26.152  527.335   37.766  523.013   36.250  278.157   10.049  277.069   9.6814 -0.000000 0.000000 
1 1 1  -14    0   56 o  319.054   7.3202  693.086   31.552  702.885   45.614  684.096   43.691  321.196   10.505  316.911   10.197 -0.000000 0.000000 
1 1 1  -14    0   57 o  759.842   12.795  3944.29  131.523  4043.16  189.589  3852.56  182.611  768.984   18.216  750.700   17.974 -0.000000 0.000000 
1 1 1  -14    0   58 o  178.230   6.7086  216.630   16.050  228.575   23.842  206.730   21.705  182.702   9.6922  173.759   9.2782 -0.000000 0.000000 
1 1 1  -14    0   59 o  387.623   11.146  1023.76   58.436   0.0000   0.0000  1023.76   58.436  387.623   11.146  387.623   11.146 -0.000000 0.000000 
1 1 1  -14    0   60 o  271.510   9.6167  502.592   35.282   0.0000   0.0000  502.592   35.282  271.510   9.6167  271.510   9.6167 -0.000000 0.000000 
1 1 1  -14    0   61 o   38.225   12.316   14.026   8.0684   4.7480   12.120   21.410   10.813   27.945   17.022   48.505   17.804 -0.000000 0.000000 
1 1 1  -14    0   62 o  153.408   6.8670  161.286   14.092  167.592   21.008  156.128   19.000  156.084   10.027  150.733   9.3850 -0.000000 0.000000 
1 1 1  -14    0   63 o   82.973   10.205   52.360   9.9333   43.222   15.033   59.443   13.234   74.406   17.125   91.541   11.103 -0.000000 0.000000 
1 1 1  -14    0   64 o  437.059   8.6224  1302.25   50.935  1336.23   73.902  1271.50   70.297  442.457   12.347  431.660   12.039 -0.000000 0.000000 
1 1 1  -14    0   65 o  217.884   10.075  324.847   29.602  324.847   29.602   0.0000   0.0000  217.884   10.075  217.884   10.075 -0.000000 0.000000 
1 1 1  -14    0   66 o   83.565   10.056   50.985   10.334   57.132   15.648   46.231   13.762   88.350   14.161   78.781   14.283 -0.000000 0.000000 
1 1 1  -14    0   67 o  187.316   6.8572  240.348   17.263  242.637   25.295  238.352   23.619  188.092   9.9881  186.540   9.3981 -0.000000 0.000000 
1 1 1  -14    0   68 o  157.488   7.0884  171.454   14.901  162.682   21.894  179.022   20.337  153.517   10.642  161.459   9.3670 -0.000000 0.000000 
1 1 1  -14    0   69 o  110.008   8.6809   86.335   12.227   80.809   18.857   90.344   16.061  106.266   13.725  113.750   10.633 -0.000000 0.000000 
1 1 1  -14    0   70 o  208.734   6.9056  297.465   19.392  311.307   28.608  285.696   26.378  213.200   9.9512  204.268   9.5772 -0.000000 0.000000 
1 1 1  -14    0   71 o  205.322   6.8916  288.879   19.037  287.566   27.793  290.039   26.128  204.803   10.070  205.840   9.4116 -0.000000 0.000000 
1 1 1  -14    0   72 o  146.321   7.2864  145.977   14.183  169.179   21.521  128.163   18.857  156.628   10.240  136.014   10.369 -0.000000 0.000000 
1 1 1  -14    0   73 o   99.336   9.4979   68.871   11.642   93.383   18.198   51.891   15.147  115.168   11.955   83.505   14.762 -0.000000 0.000000 
1 1 1  -14    0   74 o   20.414   13.828  -5.6257   11.361   0.0000   0.0000  -5.6257   11.361   20.414   13.828   20.414   13.828 -0.000000 0.000000 
1 1 1  -14    0   75 o  441.461   12.297  1335.93   73.438   0.0000   0.0000  1335.93   73.438  441.461   12.297  441.461   12.297 -0.000000 0.000000 
1 1 1  -14    0   76 o   33.056   13.334   9.4995   9.3327   12.777   14.200   7.0069   12.383   36.236   19.954   29.876   17.692 -0.000000 0.000000 
1 1 1  -14    0   77 o   67.902   12.956   38.485   10.295   34.023   15.335   42.147   13.890   61.997   20.527   73.808   15.815 -0.000000 0.000000 
1 1 1  -14    0   78 o  232.001   7.0616  369.295   22.073  377.954   32.279  361.691   30.250  234.496   10.202  229.506   9.7666 -0.000000 0.000000 
1 1 1  -14    0   79 o  139.442   11.044  135.683   20.567  135.683   20.567   0.0000   0.0000  139.442   11.044  139.442   11.044 -0.000000 0.000000 
1 1 1  -14    0   80 o  102.212   13.158   75.407   17.395   75.407   17.395   0.0000   0.0000  102.212   13.158  102.212   13.158 -0.000000 0.000000 
1 1 1  -14    0   81 o  141.507   7.3746  139.109   13.941  148.188   20.436  131.205   19.067  145.866   10.462  137.147   10.396 -0.000000 0.000000 
1 1 1  -14    0   82 o   69.827   11.952   39.088   9.7813   41.329   14.440   37.187   13.296   71.788   17.105   67.866   16.697 -0.000000 0.000000 
1 1 1  -14    0   83 o   77.720   11.112   46.500   10.111   60.644   15.101   35.004   13.614   90.960   13.025   64.481   18.007 -0.000000 0.000000 
1 1 1  -14    0   84 o   79.972   11.523   49.896   10.467   74.282   15.835   30.972   13.949  101.584   11.934   58.360   19.716 -0.000000 0.000000 
1 1 1  -14    0   85 o   89.733   9.6147   60.183   10.725   55.541   15.792   64.157   14.613   85.481   15.018   93.984   12.009 -0.000000 0.000000 
1 1 1  -14    0   86 o   57.570   13.691   29.902   9.5006   34.218   14.491   26.648   12.582   61.794   19.655   53.345   19.063 -0.000000 0.000000 
1 1 1  -14    0   87 o   96.204   12.196   67.591   15.204   0.0000   0.0000   67.591   15.204   96.204   12.196   96.204   12.196 -0.000000 0.000000 
1 1 1  -14    0   88 o   42.854   20.304   19.884   13.387   0.0000   0.0000   19.884   13.387   42.854   20.304   42.854   20.304 -0.000000 0.000000 
1 1 1  -14    0   90 o   22.441   14.616   0.1725   10.765   0.0000   0.0000   0.1725   10.765   22.441   14.616   22.441   14.616 -0.000000 0.000000 
1 1 1  -14    0   91 o   24.223   15.292   2.9020   10.689   0.0000   0.0000   2.9020   10.689   24.223   15.292   24.223   15.292 -0.000000 0.000000 
1 1 1  -14    1    1 o  903.748   14.615  5565.63  178.969  5478.10  250.850  5656.38  255.414  896.518   20.648  910.978   20.690 -14.46057 29.22999 
1 1 1  -14    1    2 o  523.342   13.021  1860.23   92.348   0.0000   0.0000  1860.23   92.348  ?   ?   523.342   13.021      ?      ? 
1 1 1  -14    1    3 o  517.095   9.1310  1812.74   63.925  1732.69   88.180  1901.42   92.805  505.086   12.883  529.104   12.943 -24.01706 18.26209 
1 1 1  -14    1    4 o  259.704   6.1237  457.308   21.545  442.049   30.163  473.202   30.785  255.281   8.7193  264.128   8.6007 -8.846222 12.24738 
1 1 1  -14    1    5 o  111.643   4.0079   84.485   6.0632   85.748   8.6146   83.246   8.5354  112.469   5.6522  110.816   5.6838 1.653343 8.015765 
1 1 1  -14    1    6 o  209.061   5.8211  296.289   16.492  296.289   16.492   0.0000   0.0000  209.061   5.8211  ?   ?       ?      ? 
1 1 1  -14    1    7 o  238.038   6.0516  384.130   19.521  384.130   19.521   0.0000   0.0000  238.038   6.0516  ?   ?       ?      ? 
1 1 1  -14    1    8 o  208.231   4.1301  293.878   11.653  299.002   16.622  288.925   16.342  210.016   5.8404  206.446   5.8414 3.569229 8.260284 
1 1 1  -14    1    9 f  111.692   4.0811   84.519   6.1751   86.595   8.8702   82.567   8.6017  113.022   5.7914  110.362   5.7515 2.659645 8.162147 
1 1 1  -14    1   10 o  267.834   5.5367  493.120   18.975  507.477   23.455  465.932   32.277  273.593   6.3264  262.074   9.0884 11.51917 11.07347 
1 1 1  -14    1   11 o  526.161   8.0777  1884.41   54.363  1894.83   66.756  1863.90   93.667  528.492   9.3212  523.831   13.195 4.660278 16.15534 
1 1 1  -14    1   12 o  516.518   9.2076  1811.54   64.440  1780.81   90.239  1843.52   92.052  512.051   13.005  520.985   13.038 -8.933838 18.41528 
1 1 1  -14    1   13 o  927.403   14.997  5863.88  188.472  5849.41  266.080  5878.46  267.001  926.257   21.198  928.548   21.219 -2.291565 29.99353 
1 1 1  -14    1   14 o  329.486   6.9565  736.057   31.060  736.057   31.060   0.0000   0.0000  329.486   6.9565  ?   ?       ?      ? 
1 1 1  -14    1   15 o  313.705   4.8099  667.128   20.446  676.537   29.094  657.946   28.740  315.891   6.7965  311.520   6.8080 4.370667 9.619813 
1 1 1  -14    1   16 f  437.523   5.8066  1298.05   34.426  1283.01   48.425  1313.41   48.951  434.962   8.2155  440.084   8.2080 -5.122009 11.61320 
1 1 1  -14    1   17 f  1001.38   11.340  6815.23  153.880  6883.60  219.038  6748.61  216.229  1006.33   16.062  996.426   16.013 9.906372 22.68070 
1 1 1  -14    1   18 o  785.812   9.1303  4192.28   97.227  4201.61  137.704  4183.00  137.297  786.683   12.917  784.941   12.907 1.742554 18.26069 
1 1 1  -14    1   19 f  714.196   8.4161  3461.64   81.454  3454.72  115.053  3468.58  115.334  713.481   11.900  714.911   11.905 -1.429016 16.83222 
1 1 1  -14    1   20 o  542.503   6.7637  1995.91   49.722  1973.78   69.905  2018.57   70.737  539.459   9.5624  545.546   9.5682 -6.086975 13.52739 
1 1 1  -14    1   21 o  765.882   8.9338  3980.88   92.721  3994.69  131.452  3967.20  130.804  767.203   12.644  764.562   12.625 2.641846 17.86753 
1 1 1  -14    1   22 o  666.124   9.7235  3015.96   82.923  3023.97  101.849  3000.19  142.818  667.642   11.257  664.606   15.857 3.035400 19.44699 
1 1 1  -14    1   23 o  190.186   5.1136  245.940   12.555  247.653   15.577  242.763   21.213  191.149   6.0134  189.224   8.2724 1.925232 10.22711 
1 1 1  -14    1   24 o  552.374   8.4328  2081.48   59.722  2034.38  102.098  2105.98   73.634  547.480   13.761  557.268   9.7506 -9.787231 16.86568 
1 1 1  -14    1   25 o  1808.46   24.517 22295.71  564.003 22682.32  988.430 22109.07  686.783  1816.81   40.147  1800.11   28.154 16.70020 49.03477 
1 1 1  -14    1   26 o  1014.14   11.480  6982.79  157.754  7089.90  225.343  6879.85  220.919  1021.76   16.275  1006.52   16.197 15.23816 22.96075 
1 1 1  -14    1   27 o  753.898   8.8349  3856.05   90.260  3875.98  128.012  3836.34  127.285  755.835   12.498  751.961   12.491 3.873962 17.66990 
1 1 1  -14    1   28 o  467.975   6.1331  1484.79   38.894  1490.64   55.157  1479.01   54.854  468.891   8.6805  467.059   8.6667 1.831848 12.26629 
1 1 1  -14    1   29 o  1414.68   15.707 13609.77  301.029 13901.54  431.933 13334.20  419.767  1429.40   22.299  1399.97   22.126 29.42688 31.41340 
1 1 1  -14    1   30 o  850.538   12.019  4887.63  130.081  4988.72  228.212  4838.98  158.318  856.670   19.658  844.406   13.836 12.26428 24.03881 
1 1 1  -14    1   31 o  241.915   6.4562  396.788   21.156  412.328   30.090  381.593   29.753  246.601   9.0040  237.228   9.2550 9.373642 12.91230 
1 1 1  -14    1   32 o  1071.80   14.832  7801.38  202.741  7778.03  247.734  7848.73  352.793  1070.06   17.084  1073.54   24.250 -3.477051 29.66398 
1 1 1  -14    1   33 o  923.938   10.574  5794.90  132.383  5730.08  185.863  5861.64  188.602  918.697   14.929  929.178   14.978 -10.48108 21.14787 
1 1 1  -14    1   34 o  499.990   6.4412  1694.52   43.634  1659.33   61.012  1731.36   62.429  494.680   9.1014  505.301   9.1171 -10.62079 12.88241 
1 1 1  -14    1   35 o  757.683   8.8948  3895.29   91.323  3940.49  130.042  3851.31  128.275  762.018   12.593  753.348   12.565 8.669556 17.78958 
1 1 1  -14    1   36 o  785.282   9.1716  4185.46   97.600  4204.02  138.402  4167.09  137.656  787.014   12.977  783.550   12.964 3.463684 18.34322 
1 1 1  -14    1   37 o  495.030   6.4015  1661.86   42.943  1655.36   60.619  1668.41   60.844  494.058   9.0541  496.001   9.0521 -1.943207 12.80304 
1 1 1  -14    1   38 o  268.842   4.7260  489.790   17.213  474.724   24.108  505.457   24.585  264.626   6.7228  273.059   6.6440 -8.432861 9.451930 
1 1 1  -14    1   39 o  626.078   7.6207  2659.57   64.654  2644.99   91.162  2674.32   91.711  624.352   10.775  627.803   10.780 -3.450928 15.24132 
1 1 1  -14    1   40 o  824.343   9.5773  4615.30  106.988  4613.93  151.243  4616.67  151.364  824.221   13.541  824.465   13.548 -0.2442627 19.15459 
1 1 1  -14    1   41 o  780.839   9.1544  4140.40   96.863  4172.60  137.663  4108.81  136.317  783.845   12.960  777.833   12.932 6.011536 18.30874 
1 1 1  -14    1   42 o  635.266   9.4558  2756.57   77.239  2790.47   95.543  2692.64  131.222  641.194   10.996  629.337   15.386 11.85681 18.91168 
1 1 1  -14    1   43 o  321.417   7.1334  700.732   31.051  667.016   43.435  735.973   44.408  313.506   10.224  329.327   9.9505 -15.82083 14.26678 
1 1 1  -14    1   44 o  761.430   8.9812  3938.69   92.671  3918.57  130.699  3959.03  131.417  759.475   12.699  763.385   12.704 -3.910278 17.96245 
1 1 1  -14    1   45 o  204.419   4.5978  283.350   12.737  282.904   18.000  283.798   18.025  204.258   6.5028  204.581   6.5019 -0.3224335 9.195694 
1 1 1  -14    1   46 o  274.193   4.8332  509.738   17.956  521.104   25.617  498.758   25.176  277.198   6.8195  271.189   6.8508 6.009674 9.666386 
1 1 1  -14    1   47 o  444.275   6.0188  1339.43   36.236  1342.86   51.321  1336.03   51.171  444.842   8.5135  443.709   8.5102 1.133240 12.03757 
1 1 1  -14    1   48 o  531.244   6.8012  1914.40   48.936  1978.86   70.605  1854.81   67.888  539.838   9.6513  522.651   9.5852 17.18768 13.60236 
1 1 1  -14    1   49 o  750.792   12.643  3850.08  128.629  3831.08  181.150  3869.40  182.677  748.935   17.849  752.650   17.911 -3.714600 25.28577 
1 1 1  -14    1   50 o  286.226   4.9229  555.802   19.094  550.172   26.884  561.533   27.124  284.763   6.9667  287.688   6.9575 -2.925629 9.845887 
1 1 1  -14    1   51 o  642.734   7.8406  2809.34   68.291  2818.41   96.692  2800.32   96.463  643.769   11.084  641.698   11.093 2.071289 15.68115 
1 1 1  -14    1   52 o  383.173   5.5603  996.796   28.872  992.335   40.768  1001.28   40.894  382.312   7.8690  384.034   7.8579 -1.721222 11.12055 
1 1 1  -14    1   53 o  442.602   6.0355  1330.70   36.200  1331.01   51.261  1330.40   51.128  442.652   8.5456  442.553   8.5254 0.9945679E-01 12.07099 
1 1 1  -14    1   54 o  240.272   4.7563  391.747   15.484  400.880   22.058  382.875   21.742  243.034   6.6976  237.510   6.7550 5.523849 9.512547 
1 1 1  -14    1   55 o  432.564   5.9749  1271.14   35.020  1248.60   49.114  1294.45   49.948  428.663   8.4549  436.465   8.4448 -7.801392 11.94986 
1 1 1  -14    1   56 o  427.836   5.9355  1243.96   34.412  1245.57   48.699  1242.34   48.634  428.113   8.3942  427.558   8.3939 0.5556335 11.87098 
1 1 1  -14    1   57 o  117.262   5.1925   93.347   8.1843   78.120   11.319  110.029   11.847  107.228   7.7899  127.296   6.8679 -20.06761 10.38508 
1 1 1  -14    1   58 o  236.555   4.7685  379.734   15.280  365.782   21.327  394.452   21.904  232.090   6.7809  241.020   6.7064 -8.929642 9.537059 
1 1 1  -14    1   59 f  265.817   6.7435  480.957   24.289  472.286   34.234  489.746   34.468  263.397   9.5909  268.236   9.4824 -4.838715 13.48709 
1 1 1  -14    1   60 o  266.035   6.7572  481.389   24.336  451.595   33.867  513.195   34.992  257.513   9.7049  274.557   9.4049 -17.04401 13.51437 
1 1 1  -14    1   61 o  188.789   4.7044  242.068   12.035  238.704   16.903  245.525   17.138  187.459   6.6540  190.119   6.6522 -2.659729 9.408852 
1 1 1  -14    1   62 o  197.566   4.7114  265.169   12.613  267.108   17.893  263.254   17.784  198.285   6.6591  196.848   6.6667 1.436478 9.422738 
1 1 1  -14    1   63 o  115.912   5.2413   91.338   8.2318   93.407   11.713   89.318   11.572  117.211   7.3740  114.613   7.4504 2.598259 10.48257 
1 1 1  -14    1   64 o  335.535   5.3242  765.682   24.208  758.050   34.118  773.420   34.354  333.850   7.5414  337.221   7.5177 -3.371368 10.64838 
1 1 1  -14    1   65 o  270.747   7.2209  500.219   26.490  489.117   37.210  511.627   37.720  267.693   10.257  273.801   10.166 -6.108276 14.44172 
1 1 1  -14    1   66 o  286.881   5.0774  559.450   19.733  577.090   28.268  542.684   27.559  291.293   7.1613  282.470   7.1997 8.822540 10.15477 
1 1 1  -14    1   67 o  252.129   4.9184  432.250   16.801  445.547   23.918  419.300   23.604  255.964   6.8955  248.294   7.0152 7.669754 9.836731 
1 1 1  -14    1   68 o  154.055   5.0448  161.398   10.530  156.989   14.733  166.001   15.054  151.903   7.1572  156.206   7.1116 -4.303268 10.08966 
1 1 1  -14    1   69 f  201.028   4.8806  274.812   13.290  264.170   18.618  285.871   18.979  197.053   6.9721  205.003   6.8315 -7.950836 9.761168 
1 1 1  -14    1   70 o  167.338   4.9369  190.559   11.191  183.469   15.769  197.753   15.883  164.192   7.0872  170.485   6.8749 -6.293594 9.873816 
1 1 1  -14    1   71 o  313.456   5.2560  668.946   22.323  685.117   31.862  653.357   31.284  317.180   7.4130  309.732   7.4533 7.447632 10.51208 
1 1 1  -14    1   72 o  287.215   5.1341  561.845   19.982  566.277   28.278  557.425   28.240  288.351   7.2369  286.079   7.2845 2.272308 10.26820 
1 1 1  -14    1   73 o  141.029   5.1919  135.530   9.9224  135.005   14.005  136.058   14.060  140.755   7.3426  141.303   7.3425 -0.5480042 10.38388 
1 1 1  -14    1   74 o  231.391   5.9718  364.570   17.861  369.690   30.279  361.839   22.119  232.355   9.6164  230.428   7.0834 1.926758 11.94361 
1 1 1  -14    1   75 o  217.783   5.9742  321.413   16.792  315.116   20.701  333.529   28.715  214.975   7.1059  220.592   9.6057 -5.617599 11.94839 
1 1 1  -14    1   76 o  274.536   5.1075  514.381   19.001  510.075   26.842  518.706   26.902  273.378   7.2455  275.694   7.2006 -2.315521 10.21498 
1 1 1  -14    1   77 o  140.553   5.2264  134.979   9.9482  128.644   13.985  141.468   14.154  137.193   7.5223  143.912   7.2578 -6.718460 10.45281 
1 1 1  -14    1   78 o  194.264   4.9668  257.896   13.073  262.682   18.470  253.092   18.507  196.087   6.9508  192.441   7.0968 3.646194 9.933690 
1 1 1  -14    1   79 o  150.502   6.5947  157.766   12.522  161.004   15.254  151.076   21.925  153.364   7.3399  147.640   10.958 5.723358 13.18944 
1 1 1  -14    1   80 o  323.103   6.7414  723.474   27.666  713.728   48.195  728.265   33.788  320.384   11.101  325.822   7.6524 -5.437469 13.48273 
1 1 1  -14    1   81 f   84.930   6.4820   49.842   7.4571   51.823   10.616   47.913   10.477   86.618   9.0444   83.243   9.2878 3.374985 12.96396 
1 1 1  -14    1   82 o   32.195   8.7639   2.7809   5.9637   10.458   8.5313  -4.5557   8.3399   39.483   13.382   24.907   11.320 14.57577 17.52782 
1 1 1  -14    1   83 f   72.417   8.8211   38.616   7.9799   40.793   9.9797   34.757   13.288   76.549   9.6205   68.285   14.788 8.263519 17.64215 
1 1 1  -14    1   84 o  118.544   6.6606   92.416   10.185  116.673   18.038   81.063   12.340  128.969   10.321  108.118   8.4224 20.85139 13.32115 
1 1 1  -14    1   85 f   74.832   8.8897   39.752   8.2710   43.568   14.565   37.936   10.048   76.206   14.636   73.459   10.094 2.747627 17.77934 
1 1 1  -14    1   86 o   82.292   6.5236   47.480   7.2426   41.880   10.096   53.417   10.396   77.161   9.6553   87.423   8.7751 -10.26234 13.04713 
1 1 1  -14    1   87 o   69.822   9.3071   38.489   7.9789   29.423   13.579   43.271   9.8609   61.249   16.135   78.395   9.2820 -17.14616 18.61423 
1 1 1  -14    1   88 f  117.624   7.4887   99.119   11.922   94.769   16.978  103.351   16.745  114.887   10.905  120.362   10.267 -5.474709 14.97744 
1 1 1  -14    1   89 o  118.111   7.5686  100.725   12.023   86.566   16.878  115.312   17.130  109.185   11.407  127.036   9.9507 -17.85076 15.13712 
1 1 1  -14    1   90 o   55.330   10.836   24.461   8.4028   24.964   12.022   23.980   11.749   55.851   15.391   54.810   15.257 1.041481 21.67183 
1 1 1  -14    1   91 o   26.970   12.308  -4.3960   9.9880  -4.3960   9.9880   0.0000   0.0000   26.970   12.308  ?   ?       ?      ? 
1 1 1  -14    2    1 o  414.946   6.3859  1172.99   31.351  1178.44   36.396  1157.32   61.717  416.929   6.4419  412.963   11.028 3.965729 12.77189 
1 1 1  -14    2    2 o  167.504   4.5089  192.180   9.0626  194.506   10.623  185.960   17.370  169.406   4.6274  165.601   7.7401 3.805069 9.017850 
1 1 1  -14    2    3 o  770.276   10.306  4008.48   92.928  3985.93  107.041  4077.47  187.244  766.447   10.306  774.106   17.849 -7.658813 20.61099 
1 1 1  -14    2    4 o  581.334   8.6545  2284.97   64.330  2266.08   78.698  2323.02  111.677  577.917   10.049  584.750   14.093 -6.832458 17.30892 
1 1 1  -14    2    5 o  229.682   5.1412  358.775   15.336  361.512   19.168  353.906   25.567  230.927   6.1252  228.437   8.2590 2.489960 10.28247 
1 1 1  -14    2    6 o  562.596   6.9095  2147.39   52.677  2150.75   74.553  2144.04   74.441  563.035   9.7711  562.157   9.7718 0.8782959 13.81892 
1 1 1  -14    2    7 o   58.499   5.1218   23.323   4.0391   21.147   5.8127   25.355   5.6165   55.844   7.6810   61.153   6.7775 -5.309235 10.24366 
1 1 1  -14    2    8 o  569.997   6.9959  2202.69   54.017  2265.40   77.727  2144.11   75.121  577.836   9.9263  562.159   9.8610 15.67712 13.99180 
1 1 1  -14    2    9 o  226.771   4.2170  348.627   12.958  343.976   18.329  353.274   18.322  225.258   6.0046  228.284   5.9227 -3.025803 8.434049 
1 1 1  -14    2   10 o  578.375   7.0678  2268.95   55.388  2225.92   77.543  2313.77   79.141  572.779   9.9902  583.971   10.001 -11.19208 14.13565 
1 1 1  -14    2   11 o  777.205   9.0292  4101.71   95.097  4106.37  134.654  4097.06  134.321  777.645   12.778  776.766   12.761 0.8796387 18.05836 
1 1 1  -14    2   12 o  166.891   4.9892  182.280   10.576  171.084   12.709  207.484   19.069  158.865   5.9034  174.917   8.0448 -16.05186 9.978468 
1 1 1  -14    2   13 o  417.924   6.9118  1179.54   36.744  1169.49   44.718  1200.42   64.467  415.284   7.9461  420.565   11.311 -5.280731 13.82354 
1 1 1  -14    2   14 o  1118.58   12.564  8510.98  190.442  8568.67  270.608  8454.38  268.060  1122.33   17.793  1114.83   17.744 7.497437 25.12783 
1 1 1  -14    2   15 o  613.192   7.4182  2551.04   61.641  2562.68   87.479  2539.56   86.871  614.580   10.504  611.804   10.478 2.776184 14.83633 
1 1 1  -14    2   16 o  451.373   5.9254  1381.41   36.241  1399.18   51.629  1364.15   50.885  454.234   8.3874  448.513   8.3720 5.720978 11.85071 
1 1 1  -14    2   17 o  527.539   8.1437  1901.84   55.050  1847.00   94.059  1930.41   67.893  521.582   13.307  533.497   9.3910 -11.91541 16.28739 
1 1 1  -14    2   18 o  439.889   8.3046  1313.00   49.502  1304.59   69.632  1321.60   70.388  438.466   11.719  441.313   11.770 -2.847595 16.60915 
1 1 1  -14    2   19 o  528.005   8.0812  1873.53   54.287  1840.22   65.936  1943.63   95.645  520.908   9.3407  535.103   13.190 -14.19470 16.16246 
1 1 1  -14    2   20 o  526.686   8.0861  1894.07   54.782  1921.10   67.823  1843.32   92.918  532.239   9.4035  521.132   13.157 11.10699 16.17229 
1 1 1  -14    2   21 o  882.421   12.393  5326.58  140.601  5405.06  174.019  5179.02  238.619  892.266   14.392  872.576   20.180 19.68976 24.78619 
1 1 1  -14    2   22 o  1009.11   11.419  6916.06  156.148  6947.83  221.538  6884.68  220.124  1011.41   16.164  1006.81   16.134 4.602722 22.83774 
1 1 1  -14    2   23 o  1521.30   16.842 15760.97  347.220 15768.52  491.281 15753.44  490.805  1521.67   23.825  1520.94   23.813 0.7238770 33.68494 
1 1 1  -14    2   24 o  299.797   4.7938  609.193   19.475  615.064   27.663  603.423   27.423  301.229   6.7766  298.365   6.7824 2.864258 9.587652 
1 1 1  -14    2   25 o  1262.39   17.282 10845.98  278.484 10874.67  483.288 10831.71  340.741  1262.56   28.247  1262.22   19.921 0.3416748 34.56479 
1 1 1  -14    2   26 o  1080.82   12.173  7934.98  178.295  7928.63  252.007  7941.34  252.287  1080.39   17.213  1081.25   17.218 -0.8643799 24.34635 
1 1 1  -14    2   27 o  595.118   7.2854  2401.85   58.754  2401.84   83.060  2401.86   83.122  595.117   10.299  595.119   10.307 -0.2136230E-02 14.57084 
1 1 1  -14    2   28 o  414.443   6.9576  1173.36   36.995  1137.73   63.030  1192.09   45.694  409.552   11.357  419.334   8.0411 -9.781830 13.91525 
1 1 1  -14    2   29 o  1009.83   14.004  6863.52  179.242  7126.32  318.130  6741.30  216.957  1023.29   22.942  996.379   16.068 26.90875 28.00896 
1 1 1  -14    2   30 o  680.260   8.1074  3138.83   74.736  3116.19  105.257  3161.85  106.135  677.787   11.460  682.734   11.472 -4.947388 16.21489 
1 1 1  -14    2   31 o  318.739   6.1678  693.847   25.041  703.820   30.692  673.988   43.307  322.227   7.0287  315.251   10.137 6.975739 12.33562 
1 1 1  -14    2   32 o  510.052   8.0262  1763.13   52.141  1760.05   63.640  1769.42   90.940  509.474   9.2178  510.630   13.142 -1.156036 16.05249 
1 1 1  -14    2   33 o  619.651   7.5483  2603.96   63.379  2638.38   90.324  2570.57   88.954  623.684   10.687  615.618   10.663 8.065430 15.09668 
1 1 1  -14    2   34 o  476.427   6.2392  1539.07   40.281  1530.56   56.799  1547.69   57.134  475.101   8.8221  477.752   8.8249 -2.651276 12.47835 
1 1 1  -14    2   35 o  1183.19   13.272  9518.05  212.780  9621.68  303.114  9417.39  298.766  1189.53   18.804  1176.85   18.734 12.68042 26.54327 
1 1 1  -14    2   36 o  628.082   7.6430  2676.24   65.053  2679.58   92.067  2672.91   91.930  628.474   10.810  627.691   10.808 0.7831421 15.28608 
1 1 1  -14    2   37 o  593.123   7.3040  2386.49   58.707  2392.84   83.178  2380.19   82.871  593.909   10.335  592.337   10.324 1.571716 14.60809 
1 1 1  -14    2   38 o  272.583   4.7549  503.635   17.563  511.277   25.017  496.210   24.661  274.622   6.7223  270.545   6.7265 4.076935 9.509789 
1 1 1  -14    2   39 o  992.589   11.298  6695.20  151.948  6809.60  217.333  6585.81  212.520  1000.87   16.024  984.306   15.933 16.56519 22.59671 
1 1 1  -14    2   40 o  704.606   8.3881  3369.03   80.077  3435.41  114.638  3305.78  111.903  711.377   11.892  697.833   11.833 13.54395 16.77620 
1 1 1  -14    2   41 o  565.181   8.6342  2186.50   62.844  2227.10   77.998  2111.36  106.100  572.911   10.046  557.451   14.045 15.46057 17.26837 
1 1 1  -14    2   42 o  526.245   9.4601  1879.94   67.433  1929.13   97.167  1834.25   93.658  532.871   13.456  519.618   13.301 13.25305 18.92019 
1 1 1  -14    2   43 o  635.350   9.4745  2748.99   77.029  2724.50  132.658  2761.44   94.613  632.909   15.467  637.790   10.947 -4.880371 18.94897 
1 1 1  -14    2   44 o  335.963   5.1888  765.464   23.623  757.841   33.311  773.175   33.506  334.280   7.3535  337.647   7.3227 -3.366333 10.37768 
1 1 1  -14    2   45 f  233.241   4.6596  368.869   14.727  374.847   20.931  363.009   20.724  235.113   6.5695  231.369   6.6099 3.743515 9.319289 
1 1 1  -14    2   46 o  233.033   4.6609  368.267   14.717  361.520   20.757  375.088   20.871  230.885   6.6341  235.180   6.5487 -4.295410 9.321897 
1 1 1  -14    2   47 o  774.360   9.1114  4077.84   95.611  4060.22  134.878  4095.65  135.554  772.679   12.881  776.041   12.890 -3.361511 18.22286 
1 1 1  -14    2   48 o  354.060   7.6483  851.692   36.689  875.885   52.183  828.042   51.595  359.040   10.725  349.080   10.907 9.960205 15.29660 
1 1 1  -14    2   49 o  801.618   13.377  4395.06  145.309  4422.80  206.012  4367.60  204.988  804.140   18.905  799.097   18.930 5.043640 26.75334 
1 1 1  -14    2   50 o  384.749   5.5627  1004.80   29.003  1003.98   40.987  1005.61   41.047  384.593   7.8644  384.905   7.8694 -0.3114929 11.12548 
1 1 1  -14    2   51 o  502.242   6.5374  1713.65   44.493  1722.34   63.105  1705.05   62.743  503.508   9.2486  500.976   9.2420 2.531921 13.07479 
1 1 1  -14    2   52 o  429.472   5.9304  1252.65   34.514  1262.31   48.992  1243.12   48.630  431.117   8.3859  427.828   8.3879 3.288513 11.86083 
1 1 1  -14    2   53 o  562.795   7.0910  2153.49   54.075  2184.29   77.136  2123.73   75.829  566.748   10.043  558.843   10.013 7.905640 14.18208 
1 1 1  -14    2   54 o  237.207   4.7222  381.873   15.178  375.281   21.368  388.586   21.564  235.140   6.7058  239.275   6.6504 -4.135284 9.444381 
1 1 1  -14    2   55 f  193.008   4.6457  252.825   12.150  255.421   17.313  250.305   17.056  193.984   6.5860  192.033   6.5540 1.950943 9.291450 
1 1 1  -14    2   56 o  371.508   5.5055  937.618   27.717  931.260   39.086  944.048   39.310  370.241   7.7902  372.775   7.7818 -2.534515 11.01107 
1 1 1  -14    2   57 o  374.466   5.5267  952.689   28.043  965.205   39.918  940.493   39.405  376.894   7.8157  372.037   7.8160 4.856201 11.05333 
1 1 1  -14    2   58 o  343.863   5.3295  803.049   24.829  822.876   35.554  784.176   34.689  348.004   7.5391  339.722   7.5350 8.281403 10.65903 
1 1 1  -14    2   59 o  403.514   8.0852  1109.86   44.193  1144.43   63.610  1077.60   61.442  409.577   11.461  397.451   11.408 12.12561 16.17036 
1 1 1  -14    2   60 o  181.395   5.6311  223.765   13.242  223.860   16.486  223.592   22.232  181.541   6.7012  181.248   9.0515 0.2932434 11.26216 
1 1 1  -14    2   61 o  246.245   4.8334  411.975   16.129  410.462   22.830  413.484   22.788  245.791   6.8543  246.698   6.8165 -0.9069061 9.666717 
1 1 1  -14    2   62 o  258.415   4.8846  453.620   17.101  467.270   24.434  440.513   23.943  262.227   6.8760  254.602   6.9397 7.625351 9.769264 
1 1 1  -14    2   63 o  221.359   4.7937  332.937   14.378  340.713   20.465  325.358   20.204  223.914   6.7446  218.803   6.8140 5.110382 9.587461 
1 1 1  -14    2   64 o  435.996   7.5079  1290.86   41.513  1278.13   50.382  1317.79   73.262  433.239   8.5816  438.753   12.322 -5.514252 15.01575 
1 1 1  -14    2   65 o  146.850   7.4399  147.304   14.786  157.284   21.047  137.580   20.776  151.793   10.232  141.907   10.804 9.886307 14.87981 
1 1 1  -14    2   66 o  202.821   4.8391  279.694   13.299  274.213   18.751  285.242   18.864  200.816   6.8904  204.825   6.7962 -4.008728 9.678132 
1 1 1  -14    2   67 o  356.898   5.4953  867.057   26.577  856.959   37.400  877.359   37.774  354.798   7.7787  358.999   7.7645 -4.201355 10.99066 
1 1 1  -14    2   68 o  302.669   5.2212  623.202   21.409  644.841   30.601  602.455   29.963  307.822   7.3358  297.517   7.4317 10.30563 10.44240 
1 1 1  -14    2   69 o  341.926   5.4223  795.841   25.120  815.545   35.902  776.944   35.159  346.073   7.6555  337.778   7.6810 8.294952 10.84453 
1 1 1  -14    2   70 f  260.456   5.0111  461.275   17.678  480.704   25.424  443.086   24.599  265.766   7.0592  255.146   7.1144 10.61955 10.02230 
1 1 1  -14    2   71 o  300.408   5.2121  614.600   21.217  604.280   29.934  625.018   30.076  297.865   7.4160  302.952   7.3259 -5.087036 10.42428 
1 1 1  -14    2   72 o   77.846   7.0045   41.549   7.3681   38.033   10.434   45.045   10.406   74.521   10.332   81.171   9.4602 -6.649345 14.00892 
1 1 1  -14    2   73 o  149.878   6.1180  150.980   11.873  161.707   20.305  145.408   14.635  153.695   9.7492  146.061   7.3941 7.634460 12.23600 
1 1 1  -14    2   74 o  228.799   5.9403  353.470   17.526  371.197   30.111  344.388   21.553  232.812   9.5441  224.786   7.0754 8.026047 11.88064 
1 1 1  -14    2   75 o  333.619   6.5890  764.842   28.308  769.893   35.039  755.349   48.033  335.798   7.7000  331.440   10.694 4.358002 13.17794 
1 1 1  -14    2   76 o  101.630   6.0444   70.723   8.3238   71.548   11.752   69.892   11.791  102.233   8.4831  101.027   8.6125 1.205635 12.08876 
1 1 1  -14    2   77 o  178.884   5.0222  218.567   12.174  221.227   17.222  215.911   17.211  179.980   7.0612  177.788   7.1434 2.192047 10.04434 
1 1 1  -14    2   78 f  171.078   6.4467  201.758   13.803  202.645   16.628  199.793   24.751  172.166   7.1272  169.989   10.744 2.176834 12.89343 
1 1 1  -14    2   79 o  233.842   7.1344  374.227   22.608  374.227   22.608   0.0000   0.0000  233.842   7.1344  ?   ?       ?      ? 
1 1 1  -14    2   80 o  100.817   7.3362   67.642   9.3707   78.624   17.018   62.863   11.226  106.100   11.836   95.535   8.6712 10.56504 14.67230 
1 1 1  -14    2   81 o   61.494   8.3727   27.318   6.7827   22.768   9.8322   31.449   9.3691   55.726   13.220   67.262   10.279 -11.53625 16.74544 
1 1 1  -14    2   82 o   79.597   6.5948   43.952   7.1130   43.848   10.103   44.054   10.016   79.493   9.3788   79.700   9.2738 -0.2074127 13.18954 
1 1 1  -14    2   83 o   79.291   6.6455   43.765   7.1291   46.911   10.143   40.695   10.022   82.170   9.1093   76.411   9.6785 5.759323 13.29109 
1 1 1  -14    2   84 f   92.546   6.0798   59.523   7.6207   57.673   10.820   61.344   10.735   91.073   8.7673   94.019   8.4257 -2.946022 12.15966 
1 1 1  -14    2   85 o   99.083   5.8644   68.227   7.8721   70.465   11.253   66.083   11.016  100.687   8.2474   97.478   8.3395 3.208885 11.72888 
1 1 1  -14    2   86 o  156.649   6.0728  170.407   12.186  174.619   21.056  168.285   14.943  157.335   9.8755  155.963   7.0703 1.372452 12.14559 
1 1 1  -14    2   87 o   80.462   7.6874   43.266   8.0368   57.633   14.026   36.243   9.8064   89.477   11.567   71.447   10.128 18.02963 15.37480 
1 1 1  -14    2   88 o   52.220   11.026   21.271   8.4597   18.071   11.882   24.562   12.047   48.553   15.775   55.887   15.410 -7.333443 22.05209 
1 1 1  -14    2   89 o   97.035   8.1628   68.833   10.588   55.988   14.809   82.266   15.144   87.123   12.543  106.948   10.450 -19.82506 16.32557 
1 1 1  -14    2   90 f   83.720   8.7865   51.823   9.9543   55.606   14.479   48.433   13.708   86.666   12.328   80.775   12.523 5.891045 17.57305 
1 1 1  -14    2   91 o   99.906   11.299   73.261   15.298   73.261   15.298   0.0000   0.0000   99.906   11.299  ?   ?       ?      ? 
1 1 1  -14    3    1 o  316.835   4.7803  680.438   20.523  690.608   29.197  670.505   28.854  319.175   6.7504  314.495   6.7704 4.680176 9.560686 
1 1 1  -14    3    2 o  1200.64   15.484  9751.22  217.001  9684.37  249.568  9958.37  439.342  1193.91   15.425  1207.37   26.852 -13.46204 30.96738 
1 1 1  -14    3    3 o  380.831   6.0159  983.764   27.208  984.031   31.615  983.000   53.426  381.008   6.1231  380.654   10.357 0.3540039 12.03179 
1 1 1  -14    3    4 o  297.003   9.0217  598.261   36.310   0.0000   0.0000  598.261   36.310  ?   ?   297.003   9.0217      ?      ? 
1 1 1  -14    3    5 o  308.385   5.3672  645.409   19.753  646.065   23.018  643.577   38.476  308.733   5.5018  308.038   9.2172 0.6955261 10.73439 
1 1 1  -14    3    6 o  167.041   4.8775  191.854   10.711  201.324   13.778  177.389   17.029  172.338   5.8994  161.744   7.7691 10.59364 9.755079 
1 1 1  -14    3    7 o  105.459   4.8521   74.324   6.8716   67.798   9.0087   83.405   10.626  100.004   6.6476  110.915   7.0698 -10.91126 9.704263 
1 1 1  -14    3    8 o  166.413   3.9891  187.722   8.9948  186.953   12.801  188.471   12.642  166.076   5.6880  166.749   5.5944 -0.6739807 7.978149 
1 1 1  -14    3    9 o  316.295   4.7877  678.216   20.521  680.019   29.123  676.438   28.920  316.712   6.7856  315.878   6.7560 0.8342590 9.575374 
1 1 1  -14    3   10 o  281.888   4.5659  538.671   17.441  537.595   24.716  539.738   24.615  281.607   6.4767  282.169   6.4375 -0.5614624 9.131728 
1 1 1  -14    3   11 o  384.044   5.3280  999.875   27.727  1010.18   39.506  989.873   38.924  385.993   7.5526  382.095   7.5173 3.898132 10.65608 
1 1 1  -14    3   12 o  1202.75   13.452  9838.97  219.218 10008.22  313.754  9677.54  306.419  1212.84   19.090  1192.67   18.959 20.17114 26.90477 
1 1 1  -14    3   13 o  325.067   6.0265  707.837   24.809  692.626   29.978  740.896   44.195  319.637   6.9209  330.496   9.8679 -10.85922 12.05300 
1 1 1  -14    3   14 o  422.478   5.6724  1209.76   32.469  1182.71   45.411  1238.05   46.443  417.648   8.0235  427.307   8.0204 -9.659363 11.34481 
1 1 1  -14    3   15 o  753.632   10.756  3858.98  103.785  3861.54  127.426  3853.92  178.877  754.306   12.466  752.958   17.531 1.348267 21.51113 
1 1 1  -14    3   16 o  600.596   8.9228  2470.76   69.076  2523.99   85.885  2373.25  116.241  609.998   10.390  591.194   14.509 18.80438 17.84564 
1 1 1  -14    3   17 o  351.895   6.1730  836.798   27.917  830.694   34.339  848.696   47.942  350.051   7.2389  353.739   10.001 -3.688812 12.34601 
1 1 1  -14    3   18 o  1079.47   14.882  7910.90  205.035  7875.46  250.634  7982.61  356.504  1076.58   17.179  1082.35   24.306 -5.770142 29.76425 
1 1 1  -14    3   19 o  862.586   9.9096  5050.37  115.831  5089.59  164.643  5011.93  162.990  865.900   14.031  859.273   13.997 6.627808 19.81916 
1 1 1  -14    3   20 o  750.241   8.7730  3818.20   89.182  3877.43  127.353  3761.21  124.928  755.947   12.432  744.536   12.382 11.41119 17.54604 
1 1 1  -14    3   21 o  824.365   9.5317  4611.62  106.477  4567.20  149.714  4657.08  151.463  820.350   13.467  828.381   13.493 -8.030762 19.06349 
1 1 1  -14    3   22 o  1114.72   15.372  8442.24  218.513  8489.25  380.248  8419.06  267.002  1116.26   25.137  1113.18   17.700 3.087158 30.74348 
1 1 1  -14    3   23 o  432.815   8.2971  1270.79   48.663  1278.90   68.804  1262.68   68.837  434.198   11.693  431.432   11.774 2.765533 16.59416 
1 1 1  -14    3   24 o  221.560   5.4695  329.495   15.354  323.699   18.577  341.987   27.274  218.536   6.2729  224.585   8.9617 -6.049606 10.93900 
1 1 1  -14    3   25 o  463.732   7.4810  1457.47   44.201  1461.36   77.023  1455.57   53.973  464.118   12.246  463.345   8.5959 0.7725830 14.96208 
1 1 1  -14    3   26 f  541.718   8.2734  1984.04   57.213  2010.39   99.575  1971.05   69.904  544.292   13.500  539.145   9.5678 5.147034 16.54676 
1 1 1  -14    3   27 o  234.313   5.3556  368.847   16.110  382.516   27.874  361.990   19.742  237.526   8.6598  231.100   6.3038 6.426468 10.71121 
1 1 1  -14    3   28 o  435.646   5.8513  1285.55   34.528  1328.88   49.713  1245.17   47.992  442.731   8.2861  428.561   8.2637 14.17007 11.70250 
1 1 1  -14    3   29 o  504.073   6.4485  1722.79   44.048  1733.99   62.542  1711.77   62.048  505.698   9.1263  502.448   9.1129 3.250366 12.89703 
1 1 1  -14    3   30 o  650.202   7.8221  2867.16   68.916  2903.13   98.189  2832.24   96.752  654.219   11.075  646.185   11.049 8.034729 15.64424 
1 1 1  -14    3   31 o  649.654   9.6075  2847.42   79.268  2816.23   96.274  2913.09  139.675  644.347   11.026  654.962   15.737 -10.61560 19.21499 
1 1 1  -14    3   32 o  1159.57   15.973  9119.29  235.707  9053.51  287.136  9255.23  412.736  1154.11   18.359  1165.02   26.143 -10.90833 31.94553 
1 1 1  -14    3   33 o  715.614   8.4681  3474.70   82.119  3481.66  116.303  3467.78  115.966  716.328   11.981  714.900   11.970 1.428284 16.93615 
1 1 1  -14    3   34 o  437.624   5.9053  1298.57   35.021  1300.25   49.558  1296.90   49.497  437.906   8.3512  437.341   8.3516 0.5644531 11.81069 
1 1 1  -14    3   35 o  425.164   5.8153  1225.65   33.504  1217.74   47.218  1233.68   47.549  423.782   8.2221  426.545   8.2260 -2.763702 11.63058 
1 1 1  -14    3   36 o  606.840   7.4368  2497.80   61.150  2536.08   87.249  2460.85   85.729  611.408   10.530  602.272   10.504 9.135315 14.87355 
1 1 1  -14    3   37 o  595.215   7.3290  2403.60   59.115  2407.36   83.666  2399.85   83.537  595.680   10.365  594.750   10.365 0.9301147 14.65792 
1 1 1  -14    3   38 o  512.907   6.5770  1784.29   45.711  1804.27   65.051  1764.79   64.247  515.744   9.3076  510.071   9.2948 5.673187 13.15392 
1 1 1  -14    3   39 o  331.447   5.1359  744.884   23.068  745.847   32.701  743.930   32.545  331.660   7.2760  331.234   7.2504 0.4256592 10.27173 
1 1 1  -14    3   40 o  866.173   12.224  5042.96  134.193  4933.81  162.285  5278.96  238.628  852.146   14.053  880.200   20.006 -28.05420 24.44860 
1 1 1  -14    3   41 o  748.075   10.787  3814.49  103.477  3834.88  127.407  3774.98  177.364  751.440   12.512  744.709   17.575 6.731812 21.57368 
1 1 1  -14    3   42 o  762.396   11.009  3957.37  107.263  3942.04  185.429  3965.08  131.497  760.794   17.986  763.997   12.701 -3.203125 22.01824 
1 1 1  -14    3   43 o  450.781   6.0788  1377.33   37.116  1423.19   53.474  1334.70   51.558  458.013   8.6155  443.548   8.5778 14.46548 12.15753 
1 1 1  -14    3   44 o  497.687   6.4694  1680.62   43.628  1704.09   62.186  1657.88   61.224  501.107   9.1576  494.267   9.1407 6.840027 12.93882 
1 1 1  -14    3   45 o  352.752   5.3059  844.020   25.362  850.633   36.084  837.563   35.656  354.117   7.5194  351.387   7.4880 2.729462 10.61182 
1 1 1  -14    3   46 o  126.440   4.8330  108.432   8.2807  108.756   11.769  108.114   11.654  126.627   6.8584  126.253   6.8113 0.3733521 9.665998 
1 1 1  -14    3   47 o  400.643   6.9269  1078.28   35.289  1124.11   62.304  1056.63   42.819  406.690   11.305  394.595   8.0076 12.09479 13.85373 
1 1 1  -14    3   48 o  360.164   7.6829  881.520   37.490  876.287   52.403  887.005   53.656  359.079   10.769  361.249   10.960 -2.169739 15.36581 
1 1 1  -14    3   49 o  455.117   6.1216  1406.41   37.755  1398.46   53.254  1414.44   53.533  453.824   8.6593  456.411   8.6553 -2.586365 12.24330 
1 1 1  -14    3   50 o  206.473   4.6238  289.134   12.934  298.666   18.467  279.954   18.121  209.815   6.4948  203.132   6.5830 6.682602 9.247651 
1 1 1  -14    3   51 o  418.921   5.8502  1191.46   33.207  1168.95   46.522  1214.85   47.414  414.887   8.2745  422.955   8.2724 -8.067780 11.70042 
1 1 1  -14    3   52 o  142.943   4.7893  138.574   9.2488  124.239   12.867  153.896   13.303  135.292   7.0184  150.595   6.5187 -15.30246 9.578667 
1 1 1  -14    3   53 o  224.806   4.6805  342.997   14.259  343.371   20.204  342.626   20.126  224.928   6.6284  224.685   6.6099 0.2429810 9.360916 
1 1 1  -14    3   54 o  216.599   4.6476  318.408   13.641  312.367   19.199  324.565   19.383  214.523   6.6043  218.675   6.5410 -4.152130 9.295272 
1 1 1  -14    3   55 o  157.607   4.7126  168.629   10.065  168.800   14.220  168.458   14.248  157.687   6.6548  157.527   6.6744 0.1605988 9.425118 
1 1 1  -14    3   56 o  195.080   4.6810  258.316   12.373  264.324   17.635  252.490   17.365  197.315   6.5951  192.845   6.6448 4.470596 9.362055 
1 1 1  -14    3   57 o  400.260   5.7328  1088.58   31.090  1114.12   44.454  1064.12   43.497  404.855   8.1026  395.666   8.1123 9.189758 11.46565 
1 1 1  -14    3   58 o  274.784   5.9670  506.638   20.984  534.131   36.667  493.248   25.588  280.099   9.6602  269.470   7.0073 10.62881 11.93408 
1 1 1  -14    3   59 o  298.913   6.1186  606.421   23.612  603.147   29.210  612.595   40.109  297.934   7.2348  299.893   9.8695 -1.959320 12.23724 
1 1 1  -14    3   60 o  270.094   4.9494  495.002   18.100  524.483   26.099  467.687   25.123  277.839   6.9319  262.350   7.0664 15.48856 9.898760 
1 1 1  -14    3   61 o  228.597   4.7861  354.866   14.816  336.680   20.716  373.910   21.199  222.595   6.8675  234.598   6.6680 -12.00368 9.572124 
1 1 1  -14    3   62 o  215.036   4.7487  314.168   13.836  320.924   19.678  307.563   19.458  217.325   6.6819  212.747   6.7492 4.578033 9.497319 
1 1 1  -14    3   63 o  257.916   6.1230  447.775   19.876  439.188   23.905  467.005   35.774  254.186   6.9399  261.646   10.090 -7.459671 12.24597 
1 1 1  -14    3   64 o  202.123   5.9974  275.956   15.351  271.972   18.583  284.517   27.240  200.020   6.8557  204.226   9.8425 -4.206161 11.99483 
1 1 1  -14    3   65 o  191.580   6.0698  256.044   14.692  232.808   25.324  267.831   18.037  184.670   10.119  198.490   6.7058 -13.81979 12.13965 
1 1 1  -14    3   66 o  347.588   5.4409  822.146   25.625  803.879   35.953  841.005   36.532  343.660   7.7201  351.516   7.6691 -7.856598 10.88186 
1 1 1  -14    3   67 o  329.751   5.3484  740.075   23.899  731.020   33.635  749.308   33.963  327.712   7.5738  331.790   7.5537 -4.077850 10.69674 
1 1 1  -14    3   68 f   85.231   6.7407   50.024   7.7006   42.043   10.977   57.758   10.805   78.423   10.329   92.039   8.6634 -13.61622 13.48146 
1 1 1  -14    3   69 o  193.489   4.8628  254.647   12.747  246.589   17.881  262.975   18.177  190.371   6.9311  196.607   6.8225 -6.236496 9.725582 
1 1 1  -14    3   70 o  284.212   5.1131  549.882   19.689  565.954   28.005  534.174   27.686  288.330   7.1675  280.095   7.2940 8.235504 10.22621 
1 1 1  -14    3   71 o  448.199   6.2260  1371.36   37.814  1360.45   53.246  1382.46   53.711  446.402   8.8019  449.996   8.8079 -3.594177 12.45199 
1 1 1  -14    3   72 f  225.026   4.9650  344.582   15.134  358.481   21.744  331.524   21.076  229.428   6.9937  220.624   7.0494 8.803772 9.930055 
1 1 1  -14    3   73 o   82.795   7.7932   44.513   8.4492   57.585   14.406   37.658   10.432   91.491   11.619   74.099   10.389 17.39191 15.58640 
1 1 1  -14    3   74 o   87.309   7.9842   54.531   8.9042   59.918   11.242   45.465   14.585   93.584   8.8650   81.034   13.282 12.54975 15.96847 
1 1 1  -14    3   75 o  269.107   6.1202  486.405   21.226  466.766   26.006  525.593   36.735  261.506   7.3385  276.707   9.7967 -15.20099 12.24049 
1 1 1  -14    3   76 o  190.517   6.2559  253.150   15.138  236.044   25.993  261.930   18.623  185.148   10.360  195.886   7.0154 -10.73796 12.51171 
1 1 1  -14    3   77 f  145.667   5.2420  145.090   10.344  139.920   14.550  150.373   14.709  143.026   7.5068  148.307   7.3186 -5.280930 10.48399 
1 1 1  -14    3   78 o  193.726   6.1859  253.122   15.141  244.977   18.225  271.264   27.201  189.255   7.1061  198.197   10.127 -8.942139 12.37179 
1 1 1  -14    3   79 o  245.116   5.0645  411.358   16.820  419.829   23.971  403.142   23.608  247.608   7.1441  242.624   7.1804 4.983719 10.12895 
1 1 1  -14    3   80 o  100.645   7.6873   73.263   9.5912   63.154   16.773   78.173   11.691   94.685   13.072  106.605   8.0926 -11.91997 15.37463 
1 1 1  -14    3   81 o  101.405   5.8318   71.025   7.9880   64.402   11.275   77.700   11.318   96.569   8.6160  106.240   7.8616 -9.670387 11.66363 
1 1 1  -14    3   82 o   90.649   6.2421   57.155   7.6096   49.020   10.724   65.407   10.800   83.986   9.4223   97.312   8.1898 -13.32622 12.48412 
1 1 1  -14    3   83 o  122.026   5.4158  103.044   8.9188   92.312   12.597  113.832   12.629  115.522   8.0467  128.530   7.2508 -13.00809 10.83162 
1 1 1  -14    3   84 o  102.191   5.8536   72.703   8.0524   62.843   11.319   82.808   11.458   94.997   8.7924  109.384   7.7300 -14.38638 11.70720 
1 1 1  -14    3   85 o  114.125   5.5268   90.412   8.5461   91.681   12.042   89.124   12.130  114.962   7.7300  113.288   7.9013 1.673431 11.05366 
1 1 1  -14    3   86 o   65.112   8.9409   28.213   7.4951   45.349   12.960   19.601   9.1874   79.304   12.059   50.921   13.204 28.38270 17.88188 
1 1 1  -14    3   87 o   81.220   7.8253   47.599   8.1894   46.511   13.767   48.195   10.188   79.753   12.739   82.687   9.0921 -2.934113 15.65053 
1 1 1  -14    3   88 o   58.789   10.710   27.395   8.7033   32.658   12.152   21.854   12.470   64.979   14.198   52.598   16.039 12.38117 21.42019 
1 1 1  -14    3   89 o   69.745   9.8652   38.513   9.2968   18.311   12.969   59.868   13.334   48.550   16.499   90.941   10.820 -42.39128 19.73049 
1 1 1  -14    3   90 o   46.710   16.035   16.897   12.253   16.897   12.253   0.0000   0.0000   46.710   16.035  ?   ?       ?      ? 
1 1 1  -14    3   91 o  139.853   10.298  141.939   19.517  141.939   19.517   0.0000   0.0000  139.853   10.298  ?   ?       ?      ? 
1 1 1  -14    4    1 o  1339.22   14.885 12202.49  270.133 12257.59  383.264 12148.10  380.800  1342.22   21.071  1336.22   21.030 5.997437 29.77006 
1 1 1  -14    4    2 o  231.604   4.2472  363.514   13.328  354.065   18.726  373.214   18.973  228.554   6.0462  234.654   5.9666 -6.100189 8.494481 
1 1 1  -14    4    3 o  300.835   5.2386  606.083   18.896  597.753   21.998  629.530   36.906  296.976   5.4662  304.695   8.9383 -7.718292 10.47721 
1 1 1  -14    4    4 o  941.432   12.361  6109.67  138.527  6207.77  161.855  5841.03  267.845  956.448   12.488  926.416   21.335 30.03217 24.72102 
1 1 1  -14    4    5 o  325.815   5.5521  731.277   21.780  745.465   25.630  694.408   41.316  331.641   5.7029  319.990   9.5279 11.65033 11.10426 
1 1 1  -14    4    6 o  418.322   7.9268  1185.47   44.873  1100.25   62.292  1277.39   64.695  402.707   11.415  433.936   11.002 -31.22821 15.85357 
1 1 1  -14    4    7 o  323.315   6.8358  708.132   29.897  721.858   43.780  696.137   40.925  326.241   9.9027  320.390   9.4260 5.850250 13.67160 
1 1 1  -14    4    8 o  438.380   6.9976  1293.88   39.305  1274.66   48.109  1332.45   68.165  433.588   8.1877  443.171   11.350 -9.583313 13.99524 
1 1 1  -14    4    9 o  337.338   5.9673  769.755   25.932  765.708   31.998  777.500   44.267  336.085   7.0257  338.590   9.6476 -2.505066 11.93470 
1 1 1  -14    4   10 o  956.826   13.272  6191.26  161.752  6127.96  197.051  6322.04  283.218  949.917   15.308  963.736   21.686 -13.81866 26.54450 
1 1 1  -14    4   11 o  303.080   5.6713  622.320   22.201  621.255   27.497  624.313   37.625  302.736   6.7026  303.424   9.1505 -0.6873779 11.34266 
1 1 1  -14    4   12 o  231.252   5.1246  363.390   15.386  365.567   19.214  359.500   25.688  232.236   6.1054  230.268   8.2323 1.968811 10.24917 
1 1 1  -14    4   13 o  1382.97   18.858 12935.12  330.508 12737.47  400.308 13358.38  585.793  1368.10   21.592  1397.85   30.924 -29.75085 37.71653 
1 1 1  -14    4   14 o  742.380   8.6877  3738.47   87.389  3676.63  122.378  3802.81  124.831  736.119   12.268  748.640   12.305 -12.52185 17.37547 
1 1 1  -14    4   15 o  602.464   7.3131  2461.71   59.706  2462.49   84.482  2460.94   84.392  602.558   10.346  602.369   10.338 0.1892090 14.62628 
1 1 1  -14    4   16 o  781.259   9.0821  4138.08   96.108  4265.06  138.532  4020.25  133.446  792.799   12.894  769.719   12.794 23.08063 18.16428 
1 1 1  -14    4   17 o  143.634   5.9886  139.832   11.656  139.832   11.656   0.0000   0.0000  143.634   5.9886  ?   ?       ?      ? 
1 1 1  -14    4   18 o  1000.49   11.325  6796.60  153.531  6717.92  215.514  6877.68  218.774  994.620   15.990  1006.37   16.042 -11.74994 22.64966 
1 1 1  -14    4   19 o  1030.82   11.642  7216.33  162.625  7260.26  230.930  7173.10  229.054  1033.94   16.482  1027.71   16.447 6.220215 23.28408 
1 1 1  -14    4   20 o  553.103   6.8733  2074.48   51.517  2080.85   72.980  2068.16   72.732  553.948   9.7219  552.257   9.7186 1.691345 13.74651 
1 1 1  -14    4   21 o  488.786   6.2860  1619.14   41.627  1657.16   59.636  1583.01   58.133  494.379   8.9016  483.193   8.8780 11.18610 12.57207 
1 1 1  -14    4   22 o  951.282   10.824  6143.61  139.529  6129.45  197.076  6157.85  197.574  950.182   15.305  952.381   15.309 -2.198975 21.64737 
1 1 1  -14    4   23 o  274.974   5.5706  501.937   19.580  544.255   34.519  481.864   23.774  283.320   8.9907  266.629   6.5799 16.69141 11.14123 
1 1 1  -14    4   24 o  749.941   12.414  3815.64  126.157   0.0000   0.0000  3815.64  126.157  ?   ?   749.941   12.414      ?      ? 
1 1 1  -14    4   25 o  592.335   8.9331  2252.99   64.930  2682.10  125.765  2097.05   75.815  628.583   14.764  556.088   10.061 72.49481 17.86629 
1 1 1  -14    4   26 o  583.164   7.1788  2303.40   56.695  2220.56   78.511  2393.67   81.957  572.223   10.125  594.106   10.180 -21.88324 14.35754 
1 1 1  -14    4   27 o  621.734   9.2959  2633.40   73.901  2591.72  127.256  2654.60   90.776  617.852   15.199  625.617   10.707 -7.764893 18.59174 
1 1 1  -14    4   28 o  346.113   7.4113  812.479   34.761  816.368   49.178  808.595   49.141  346.942   10.460  345.285   10.502 1.656891 14.82266 
1 1 1  -14    4   29 o  590.380   8.9476  2379.35   67.570  2409.04   83.126  2321.51  116.007  595.988   10.292  584.773   14.639 11.21545 17.89517 
1 1 1  -14    4   30 o  789.592   11.319  4255.65  114.447  4300.16  140.890  4169.28  196.236  796.010   13.061  783.174   18.490 12.83606 22.63786 
1 1 1  -14    4   31 o  408.038   7.0161  1132.97   36.442  1140.30   44.548  1118.15   63.361  410.106   8.0158  405.969   11.517 4.137695 14.03213 
1 1 1  -14    4   32 o  1028.54   11.650  7186.96  162.363  7264.46  231.270  7111.65  227.996  1034.00   16.505  1023.08   16.445 10.92291 23.29934 
1 1 1  -14    4   33 o  689.234   8.2243  3223.25   76.814  3247.62  109.101  3199.30  108.167  691.816   11.637  686.652   11.625 5.164551 16.44862 
1 1 1  -14    4   34 o  523.365   6.6637  1857.22   47.253  1823.26   66.131  1892.65   67.544  518.478   9.4122  528.251   9.4354 -9.772888 13.32733 
1 1 1  -14    4   35 o  940.292   10.750  6006.88  136.980  6048.61  194.587  5965.89  192.861  943.527   15.219  937.058   15.188 6.468933 21.50065 
1 1 1  -14    4   36 o  615.334   7.5214  2568.02   62.704  2626.76   89.829  2512.19   87.568  622.192   10.654  608.475   10.620 13.71735 15.04287 
1 1 1  -14    4   37 o  370.699   5.4048  931.714   27.149  943.641   38.634  920.077   38.160  373.042   7.6425  368.355   7.6447 4.687378 10.80968 
1 1 1  -14    4   38 o  343.115   5.2090  798.285   24.220  797.549   34.291  799.017   34.213  342.957   7.3784  343.273   7.3548 -0.3161621 10.41798 
1 1 1  -14    4   39 o  428.506   7.0949  1241.62   38.999  1232.66   47.878  1259.29   67.226  426.316   8.2875  430.697   11.518 -4.381561 14.18984 
1 1 1  -14    4   40 o  563.719   8.5870  2161.81   62.144  2169.87   76.571  2146.27  106.371  565.467   9.9925  561.971   13.968 3.495483 17.17400 
1 1 1  -14    4   41 o  407.916   7.0036  1122.08   36.299  1149.86   63.932  1108.86   44.095  411.506   11.465  404.325   8.0478 7.181091 14.00729 
1 1 1  -14    4   42 o  500.000   7.9568  1691.10   50.635  1717.04   88.681  1678.55   61.677  502.644   13.019  497.357   9.1511 5.287262 15.91365 
1 1 1  -14    4   43 o  522.935   6.6974  1855.83   47.458  1878.59   67.598  1833.70   66.643  526.096   9.4817  519.774   9.4614 6.321228 13.39482 
1 1 1  -14    4   44 o  694.829   8.3206  3280.63   78.345  3291.27  111.006  3270.07  110.588  695.951   11.770  693.707   11.764 2.243896 16.64111 
1 1 1  -14    4   45 o  593.310   7.3598  2391.00   59.174  2393.79   83.768  2388.23   83.600  593.655   10.413  592.965   10.404 0.6897583 14.71953 
1 1 1  -14    4   46 o  456.051   7.5093  1418.45   43.841  1396.79   75.315  1429.55   53.916  453.198   12.263  458.904   8.6699 -5.705658 15.01864 
1 1 1  -14    4   47 o  195.242   6.6539  258.916   17.583  259.301   24.283  258.491   25.494  195.406   9.1702  195.078   9.6440 0.3288727 13.30787 
1 1 1  -14    4   48 o  259.735   5.9695  450.081   19.469  437.464   23.319  479.109   35.370  253.926   6.7768  265.544   9.8292 -11.61794 11.93891 
1 1 1  -14    4   49 o  116.470   5.0028   92.084   7.8927   95.183   11.160   88.983   11.164  118.434   6.9535  114.506   7.1946 3.928345 10.00569 
1 1 1  -14    4   50 o  279.774   4.8824  531.182   18.510  526.924   26.090  535.499   26.266  278.645   6.9094  280.903   6.9000 -2.258636 9.764740 
1 1 1  -14    4   51 f  252.285   4.7717  431.961   16.313  431.814   23.068  432.107   23.074  252.242   6.7485  252.328   6.7479 -0.8552551E-01 9.543353 
1 1 1  -14    4   52 o  225.436   4.6935  344.859   14.335  334.657   20.130  355.356   20.418  222.051   6.6899  228.820   6.5848 -6.769882 9.386948 
1 1 1  -14    4   53 o  136.448   4.9030  126.372   9.0651  128.366   12.930  124.444   12.713  137.506   6.9389  135.390   6.9290 2.116272 9.806065 
1 1 1  -14    4   54 o  628.925   7.7320  2692.05   65.874  2768.11   94.710  2620.78   91.684  637.516   10.963  620.334   10.906 17.18188 15.46397 
1 1 1  -14    4   55 o  286.598   4.9956  557.789   19.401  565.687   27.531  549.999   27.344  288.615   7.0391  284.581   7.0904 4.034790 9.991117 
1 1 1  -14    4   56 o  368.024   5.5021  919.870   27.432  893.586   38.281  947.615   39.330  362.622   7.7902  373.426   7.7721 -10.80423 11.00420 
1 1 1  -14    4   57 o  153.813   5.9038  162.087   11.627  157.120   19.883  164.668   14.333  151.916   9.6581  155.710   6.7927 -3.793488 11.80762 
1 1 1  -14    4   58 o  113.012   7.1544   86.758   10.931   90.699   16.135   83.413   14.862  115.366   10.321  110.660   9.9108 4.705956 14.30878 
1 1 1  -14    4   59 o  240.944   5.7318  390.122   17.830  379.778   21.949  410.194   30.573  236.432   6.8504  245.455   9.1915 -9.022995 11.46352 
1 1 1  -14    4   60 o  184.199   4.7259  230.491   11.795  226.089   16.604  234.975   16.759  182.421   6.7168  185.976   6.6497 -3.555405 9.451713 
1 1 1  -14    4   61 o  392.134   5.7060  1046.07   30.320  1061.54   43.115  1030.93   42.646  395.004   8.0546  389.263   8.0844 5.741547 11.41207 
1 1 1  -14    4   62 f  173.302   4.8826  203.776   11.415  231.811   16.530  178.224   15.782  184.698   6.6045  161.905   7.1930 22.79259 9.765165 
1 1 1  -14    4   63 f  215.849   6.0580  314.996   16.459  311.146   19.830  323.523   29.511  213.944   6.8398  217.755   10.001 -3.811523 12.11600 
1 1 1  -14    4   64 o  260.524   6.0573  455.626   20.027  481.457   35.593  443.659   24.226  265.618   9.8884  255.431   6.9988 10.18724 12.11462 
1 1 1  -14    4   65 o  153.952   6.0741  159.554   11.951  167.313   20.913  155.791   14.562  156.562   9.8570  151.343   7.1005 5.219086 12.14816 
1 1 1  -14    4   66 o  270.836   5.0228  499.012   18.434  504.295   26.089  493.745   26.050  272.272   7.0709  269.399   7.1355 2.872742 10.04555 
1 1 1  -14    4   67 o  303.007   5.2259  624.090   21.441  659.742   30.913  591.038   29.764  311.347   7.3267  294.667   7.4538 16.68005 10.45181 
1 1 1  -14    4   68 o  187.364   4.9005  238.803   12.434  227.267   17.443  250.723   17.730  182.751   7.0434  191.977   6.8153 -9.225433 9.800910 
1 1 1  -14    4   69 o  150.591   5.0848  154.373   10.376  151.622   14.620  157.164   14.727  149.236   7.2294  151.947   7.1523 -2.710449 10.16952 
1 1 1  -14    4   70 o  276.294   6.1333  525.130   21.871  535.005   27.222  507.149   36.734  280.303   7.1664  272.285   9.9555 8.018646 12.26661 
1 1 1  -14    4   71 o  123.625   7.7046  105.422   12.806   99.088   18.987  110.708   17.345  120.089   11.667  127.161   10.065 -7.071587 15.40919 
1 1 1  -14    4   72 o  298.472   7.3608  607.257   29.772   0.0000   0.0000  607.257   29.772  ?   ?   298.472   7.3608      ?      ? 
1 1 1  -14    4   73 o  140.699   5.3404  134.841   10.134  153.654   14.667  117.655   14.019  150.118   7.2099  131.280   7.8800 18.83717 10.68070 
1 1 1  -14    4   74 o  193.908   5.8798  254.783   14.754  249.414   18.238  264.952   25.098  191.230   7.0377  196.586   9.4213 -5.356796 11.75965 
1 1 1  -14    4   75 o  192.757   5.9698  258.647   14.857  269.478   18.625  239.698   24.635  198.728   6.9162  186.785   9.7324 11.94269 11.93958 
1 1 1  -14    4   76 o  102.133   6.0195   71.508   8.3307   72.677   11.847   70.364   11.717  102.962   8.4904  101.304   8.5353 1.657990 12.03905 
1 1 1  -14    4   77 o  159.487   6.5958  183.823   13.099  200.949   16.142  150.798   22.416  171.464   6.9472  147.510   11.214 23.95398 13.19156 
1 1 1  -14    4   78 o  179.426   7.0738  220.337   17.200  220.337   17.200   0.0000   0.0000  179.426   7.0738  ?   ?       ?      ? 
1 1 1  -14    4   79 o  224.876   6.2096  344.808   17.650  359.105   31.464  338.243   21.320  227.571   10.203  222.181   7.0812 5.390396 12.41913 
1 1 1  -14    4   80 f  102.000   7.3595   74.266   9.4767   66.894   16.257   78.060   11.663   97.532   12.300  106.467   8.0838 -8.934738 14.71898 
1 1 1  -14    4   81 o   60.600   8.3382   26.738   6.6525   19.345   9.4235   34.083   9.3927   51.227   13.416   69.972   9.9056 -18.74508 16.67637 
1 1 1  -14    4   82 o   94.502   6.0432   61.885   7.7389   62.442   10.967   61.332   10.921   94.930   8.5255   94.073   8.5671 0.8574982 12.08633 
1 1 1  -14    4   83 o  113.354   5.5976   88.970   8.5914   84.494   12.102   93.517   12.198  110.426   8.0875  116.281   7.7412 -5.854797 11.19526 
1 1 1  -14    4   84 f   71.705   7.2656   36.328   7.0429   38.408   9.8483   34.150   10.076   73.929   9.8302   69.481   10.701 4.448135 14.53115 
1 1 1  -14    4   85 o  119.892   6.7169  104.253   10.244   90.946   17.114  111.683   12.789  112.885   11.188  126.900   7.4368 -14.01464 13.43381 
1 1 1  -14    4   86 o   63.446   9.4389   31.342   7.6437   25.720   12.852   34.418   9.5080   57.266   15.963   69.626   10.077 -12.36037 18.87785 
1 1 1  -14    4   87 o   66.324   9.3272   34.354   7.8077   28.443   13.027   37.669   9.7539   59.912   15.813   72.735   9.8958 -12.82354 18.65444 
1 1 1  -14    4   88 o   77.052   9.3334   44.963   9.4392   39.130   13.497   50.547   13.206   70.906   14.535   83.199   11.713 -12.29267 18.66681 
1 1 1  -14    4   89 o   41.008   15.323   11.431   11.454   11.431   11.454   0.0000   0.0000   41.008   15.323  ?   ?       ?      ? 
1 1 1  -14    4   90 o   37.289   14.792   7.8549   11.137   7.8549   11.137   0.0000   0.0000   37.289   14.792  ?   ?       ?      ? 
1 1 1  -14    4   91 o   51.804   16.089   22.034   12.482   22.034   12.482   0.0000   0.0000   51.804   16.089  ?   ?       ?      ? 
1 1 1  -14    5    1 o  697.096   8.2218  3296.35   77.667  3284.78  109.653  3308.01  110.024  695.868   11.628  698.324   11.626 -2.456177 16.44351 
1 1 1  -14    5    2 o  886.509   10.154  5328.23  121.905  5513.88  176.225  5157.88  168.812  901.292   14.428  871.726   14.290 29.56665 20.30744 
1 1 1  -14    5    3 o  231.448   4.2897  363.081   13.454  362.375   19.109  363.775   18.945  231.224   6.0985  231.671   6.0344 -0.4467773 8.579388 
1 1 1  -14    5    4 o  411.320   5.5989  1146.80   31.206  1131.98   43.836  1162.03   44.433  408.627   7.9162  414.014   7.9197 -5.387146 11.19773 
1 1 1  -14    5    5 o  435.578   11.280  1286.95   66.581   0.0000   0.0000  1286.95   66.581  ?   ?   435.578   11.280      ?      ? 
1 1 1  -14    5    6 o  656.025   9.5428  2914.15   80.375  2900.44   98.828  2940.92  138.132  653.916   11.153  658.133   15.488 -4.217712 19.08564 
1 1 1  -14    5    7 o  454.663   7.2129  1412.55   42.401  1438.37   52.855  1365.93   71.017  460.600   8.4680  448.726   11.679 11.87366 14.42574 
1 1 1  -14    5    8 o  634.888   8.7997  2800.48   67.089  2881.33   79.037  2592.05  126.901  651.883   8.9470  617.893   15.155 33.99005 17.59932 
1 1 1  -14    5    9 o  423.758   6.9097  1233.83   37.898  1274.97   47.499  1161.77   62.865  433.662   8.0826  413.855   11.209 19.80740 13.81939 
1 1 1  -14    5   10 o  397.396   6.3031  1105.43   30.250  1151.02   35.880  993.398   56.248  412.085   6.4251  382.706   10.846 29.37949 12.60610 
1 1 1  -14    5   11 o  220.520   4.7857  331.102   12.873  333.040   15.217  326.224   24.141  221.679   5.0655  219.361   8.1211 2.318085 9.571431 
1 1 1  -14    5   12 o  914.031   12.064  5667.81  149.426  5667.81  149.426   0.0000   0.0000  914.031   12.064  ?   ?       ?      ? 
1 1 1  -14    5   13 o  692.237   10.094  3274.19   89.505  3320.33  110.317  3185.31  153.113  699.623   11.636  684.852   16.498 14.77094 20.18851 
1 1 1  -14    5   14 o  367.025   5.2261  912.921   25.989  892.867   36.444  933.672   37.073  362.924   7.4102  371.125   7.3714 -8.201385 10.45219 
1 1 1  -14    5   15 o  983.252   11.142  6563.13  148.439  6650.49  211.814  6478.83  208.084  989.676   15.794  976.829   15.719 12.84656 22.28309 
1 1 1  -14    5   16 f  754.922   8.8148  3866.01   90.170  3912.58  128.506  3820.85  126.557  759.398   12.487  750.447   12.445 8.951050 17.62964 
1 1 1  -14    5   17 o  469.897   6.1082  1496.84   38.893  1477.59   54.646  1516.60   55.368  466.837   8.6379  472.958   8.6388 -6.121429 12.21649 
1 1 1  -14    5   18 o  543.242   8.2522  2001.36   57.402  2003.42   98.995  2000.31   70.456  543.352   13.445  543.133   9.5725 0.2191162 16.50431 
1 1 1  -14    5   19 o  641.991   9.4189  2806.49   77.567  2766.40  132.755  2827.28   95.579  638.341   15.347  645.641   10.924 -7.299316 18.83775 
1 1 1  -14    5   20 o  1313.05   17.903 11684.83  299.101 11919.25  524.542 11571.89  364.092  1321.57   29.289  1304.53   20.596 17.04126 35.80547 
1 1 1  -14    5   21 o  644.892   7.7591  2820.70   67.807  2832.29   96.233  2809.26   95.558  646.207   10.989  643.577   10.957 2.630066 15.51825 
1 1 1  -14    5   22 o  437.641   5.8545  1297.52   34.708  1257.38   48.325  1340.29   49.880  430.655   8.2805  444.627   8.2785 -13.97186 11.70897 
1 1 1  -14    5   23 o  394.155   6.7961  1049.44   33.951  1064.91   59.944  1042.14   41.195  396.230   11.164  392.080   7.7533 4.149933 13.59218 
1 1 1  -14    5   24 o  199.365   5.4747  270.899   13.741  265.512   24.357  273.414   16.642  197.883   9.0832  200.846   6.1144 -2.962296 10.94940 
1 1 1  -14    5   25 o  630.231   7.6128  2693.85   65.015  2713.68   92.406  2674.42   91.491  632.526   10.780  627.935   10.752 4.590698 15.22557 
1 1 1  -14    5   26 o  573.955   7.0927  2232.61   55.147  2294.61   79.263  2174.44   76.775  581.671   10.056  566.238   10.005 15.43341 14.18535 
1 1 1  -14    5   27 o  780.310   9.1065  4131.90   96.293  4154.45  136.695  4109.68  135.668  782.423   12.892  778.198   12.865 4.224609 18.21303 
1 1 1  -14    5   28 o  535.809   6.7610  1946.97   49.091  1943.39   69.405  1950.56   69.446  535.316   9.5674  536.303   9.5555 -0.9868164 13.52198 
1 1 1  -14    5   29 o  405.111   6.9798  1103.01   35.765  1085.50   43.225  1141.03   63.684  400.128   7.9718  410.093   11.459 -9.965179 13.95951 
1 1 1  -14    5   30 o  337.622   6.4046  771.921   27.371  769.951   33.209  776.096   48.334  337.003   7.2718  338.241   10.545 -1.237946 12.80917 
1 1 1  -14    5   31 o  348.070   5.2146  821.383   24.596  822.233   34.840  820.538   34.729  348.250   7.3825  347.891   7.3667 0.3587036 10.42924 
1 1 1  -14    5   32 o  234.537   5.7084  372.565   16.964  374.210   29.893  371.783   20.603  234.887   9.3913  234.187   6.4920 0.7007904 11.41674 
1 1 1  -14    5   33 o  532.713   9.6329  1927.15   69.539  1938.24   98.469  1916.12   98.218  534.243   13.601  531.183   13.645 3.060486 19.26587 
1 1 1  -14    5   34 o  345.361   6.5624  820.834   28.865  844.976   35.521  773.898   49.527  353.015   7.4253  337.707   10.822 15.30750 13.12474 
1 1 1  -14    5   35 o  1100.68   12.426  8241.08  185.327  8357.52  264.539  8128.84  259.711  1108.30   17.614  1093.05   17.533 15.24744 24.85278 
1 1 1  -14    5   36 o  357.103   5.3292  864.602   25.787  879.395   36.713  850.197   36.228  360.118   7.5230  354.088   7.5501 6.029816 10.65830 
1 1 1  -14    5   37 o  742.731   10.736  3796.11  102.993  3909.00  128.659  3594.70  171.848  758.690   12.514  726.773   17.449 31.91736 21.47220 
1 1 1  -14    5   38 o  444.290   7.2598  1326.04   41.241  1299.47   50.312  1380.48   72.004  437.688   8.4824  450.892   11.784 -13.20422 14.51964 
1 1 1  -14    5   39 o  726.558   8.6192  3585.35   84.861  3556.42  119.490  3614.79  120.540  723.602   12.186  729.514   12.193 -5.912354 17.23841 
1 1 1  -14    5   40 o  373.481   6.7307  950.575   32.062  934.925   55.479  958.423   39.287  371.061   11.033  375.902   7.7124 -4.840332 13.46140 
1 1 1  -14    5   41 o  154.162   5.8926  163.329   11.449  155.494   20.096  167.094   13.931  151.350   9.7981  156.973   6.5488 -5.623047 11.78517 
1 1 1  -14    5   42 o  470.701   6.2633  1501.50   39.923  1569.71   57.732  1438.98   55.268  480.931   8.8583  460.470   8.8571 20.46097 12.52664 
1 1 1  -14    5   43 o  440.869   6.0198  1317.17   35.938  1376.14   51.994  1263.23   49.730  450.302   8.5206  431.436   8.5059 18.86639 12.03950 
1 1 1  -14    5   44 o  200.200   4.6462  271.908   12.602  265.113   17.842  278.672   17.801  197.700   6.6597  202.699   6.4804 -4.998581 9.292322 
1 1 1  -14    5   45 o  210.191   5.5971  298.047   15.098  305.389   26.065  294.340   18.521  212.074   9.0697  208.308   6.5612 3.765732 11.19419 
1 1 1  -14    5   46 o  247.100   6.7968  413.683   22.723  395.756   31.083  434.262   33.303  241.373   9.5027  252.828   9.7203 -11.45506 13.59356 
1 1 1  -14    5   47 o  804.193   11.643  4451.12  120.048  4523.56  148.253  4313.15  204.588  814.863   13.426  793.523   19.026 21.34033 23.28565 
1 1 1  -14    5   48 o  162.637   4.6868  179.491   10.327  174.881   14.580  184.132   14.630  160.538   6.7019  164.735   6.5535 -4.196579 9.373553 
1 1 1  -14    5   49 o  445.706   6.0606  1349.40   36.605  1357.79   51.962  1341.13   51.574  447.081   8.5767  444.331   8.5652 2.749908 12.12115 
1 1 1  -14    5   50 o  206.814   4.6359  290.218   12.991  295.773   18.507  284.821   18.241  208.765   6.5417  204.863   6.5704 3.902878 9.271716 
1 1 1  -14    5   51 o  365.722   5.4554  908.133   27.033  927.156   38.598  889.818   37.873  369.481   7.7089  361.964   7.7212 7.517395 10.91073 
1 1 1  -14    5   52 o  502.059   6.5719  1713.94   44.711  1730.42   63.542  1697.78   62.923  504.449   9.2953  499.669   9.2928 4.780090 13.14375 
1 1 1  -14    5   53 o  238.906   4.8022  387.419   15.545  378.043   21.803  397.113   22.168  235.965   6.8184  241.848   6.7641 -5.882248 9.604355 
1 1 1  -14    5   54 o  568.765   7.1812  2202.24   55.347  2177.66   77.821  2227.40   78.731  565.554   10.154  571.976   10.157 -6.421875 14.36246 
1 1 1  -14    5   55 o  470.534   6.3062  1505.80   40.207  1526.67   57.308  1485.57   56.426  473.742   8.9267  467.326   8.9099 6.415955 12.61237 
1 1 1  -14    5   56 o  303.885   6.2433  628.779   24.214  626.672   41.974  629.830   29.644  303.295   10.213  304.475   7.1846 -1.179688 12.48653 
1 1 1  -14    5   57 o  258.705   6.8148  453.751   23.837  490.064   35.136  422.786   32.446  268.248   9.6657  249.163   9.6094 19.08502 13.62965 
1 1 1  -14    5   58 o  234.829   5.7445  374.283   17.481  372.388   21.721  377.765   29.450  234.117   6.8464  235.541   9.2264 -1.423935 11.48909 
1 1 1  -14    5   59 o  245.290   4.8707  408.826   16.188  400.432   22.801  417.358   22.987  242.747   6.9315  247.833   6.8446 -5.086243 9.741327 
1 1 1  -14    5   60 o  488.408   6.5127  1624.81   43.102  1602.06   60.523  1648.22   61.397  484.939   9.2097  491.876   9.2110 -6.936920 13.02545 
1 1 1  -14    5   61 o  240.748   4.8917  393.968   15.958  395.106   22.660  392.849   22.478  241.091   6.9359  240.405   6.8998 0.6857300 9.783309 
1 1 1  -14    5   62 o  140.520   6.4453  133.849   11.336  132.694   13.605  136.469   20.498  139.689   7.1872  141.352   10.701 -1.662323 12.89051 
1 1 1  -14    5   63 o  222.580   6.0404  343.014   17.113  320.900   29.316  354.444   21.077  216.833   9.9771  228.328   6.8118 -11.49455 12.08070 
1 1 1  -14    5   64 o  376.537   6.9127  957.432   33.065  997.182   58.446  938.720   40.100  381.765   11.297  371.310   7.9694 10.45474 13.82530 
1 1 1  -14    5   65 o   80.677   6.7831   44.461   7.3973   48.468   10.531   40.558   10.393   84.291   9.2199   77.064   9.9516 7.227043 13.56619 
1 1 1  -14    5   66 o  208.054   5.8954  297.198   15.996  303.418   20.177  286.676   26.245  211.177   7.0506  204.931   9.4504 6.245682 11.79072 
1 1 1  -14    5   67 o  152.481   6.2490  155.773   12.283  167.722   21.236  149.765   15.057  156.652   10.004  148.311   7.4917 8.341782 12.49793 
1 1 1  -14    5   68 o  248.367   4.9727  419.857   16.735  411.862   23.617  427.920   23.717  245.984   7.0849  250.750   6.9796 -4.766449 9.945378 
1 1 1  -14    5   69 f  121.097   5.5107   99.935   9.0422  100.586   12.903   99.308   12.675  121.480   7.8379  120.714   7.7485 0.7657089 11.02143 
1 1 1  -14    5   70 o  352.193   5.5282  845.268   26.376  871.060   37.823  820.848   36.802  357.423   7.8089  346.963   7.8271 10.45978 11.05634 
1 1 1  -14    5   71 o  313.459   6.4676  676.704   26.057  656.664   44.195  687.382   32.261  309.401   10.541  317.516   7.4976 -8.115143 12.93529 
1 1 1  -14    5   72 o  210.558   4.9599  301.808   14.132  325.690   20.350  279.564   19.639  218.619   6.8689  202.498   7.1569 16.12140 9.919860 
1 1 1  -14    5   73 o  185.122   4.9654  233.608   12.452  224.608   17.413  243.025   17.812  181.465   7.0810  188.779   6.9628 -7.314117 9.930851 
1 1 1  -14    5   74 o  207.371   5.9214  295.820   15.915  299.456   19.876  289.322   26.568  209.474   7.0017  205.268   9.5512 4.206085 11.84272 
1 1 1  -14    5   75 o  142.667   5.2434  139.096   10.135  142.594   14.481  135.737   14.190  144.427   7.3990  140.906   7.4316 3.520660 10.48686 
1 1 1  -14    5   76 o  123.797   7.0223  107.206   10.946  110.003   13.334  101.425   19.169  126.730   7.7642  120.864   11.703 5.865547 14.04458 
1 1 1  -14    5   77 o  117.781   5.6624   95.142   9.0199  103.496   12.941   87.248   12.579  122.849   7.7733  112.712   8.2356 10.13687 11.32475 
1 1 1  -14    5   78 o  107.480   8.3715   79.493   12.193   79.493   12.193   0.0000   0.0000  107.480   8.3715  ?   ?       ?      ? 
1 1 1  -14    5   79 o   54.744   8.8395   25.479   7.8583  -3.3830   13.695   39.646   9.5950   33.810   15.000   75.678   9.3561 -41.86712 17.67896 
1 1 1  -14    5   80 o  111.287   5.6474   85.297   8.5117   89.376   12.255   81.496   11.831  113.865   7.9424  108.709   8.0308 5.156387 11.29489 
1 1 1  -14    5   81 o   91.864   6.1884   58.573   7.6969   56.688   10.990   60.388   10.783   90.357   8.9755   93.370   8.5221 -3.013367 12.37686 
1 1 1  -14    5   82 o   72.254   7.4314   37.280   6.8778   49.348   10.040   26.609   9.4407   84.237   8.7955   60.271   11.981 23.96582 14.86276 
1 1 1  -14    5   83 o   80.683   6.6870   45.617   7.2477   53.624   10.451   38.198   10.060   87.687   8.7949   73.680   10.076 14.00656 13.37406 
1 1 1  -14    5   84 o  172.245   6.0412  203.754   13.368  218.031   23.202  196.661   16.355  175.925   9.7324  168.564   7.1599 7.360626 12.08231 
1 1 1  -14    5   85 o   91.939   7.3276   58.191   8.6990   66.594   15.129   54.040   10.632   96.182   11.607   87.695   8.9469 8.487282 14.65528 
1 1 1  -14    5   86 o   36.235   9.8662   7.5671   6.8385   3.5129   11.556   9.7519   8.4832   34.697   14.559   37.772   13.319 -3.074581 19.73237 
1 1 1  -14    5   87 o   89.476   8.5327   58.625   10.341   59.525   14.896   57.787   14.368   90.062   12.205   88.890   11.927 1.171410 17.06534 
1 1 1  -14    5   88 o  100.023   11.527   73.220   15.624   73.220   15.624   0.0000   0.0000  100.023   11.527  ?   ?       ?      ? 
1 1 1  -14    5   89 o  120.257   10.538  105.010   17.173  105.010   17.173   0.0000   0.0000  120.257   10.538  ?   ?       ?      ? 
1 1 1  -14    5   90 o   23.874   11.370 -10.7460   10.133 -10.7460   10.133   0.0000   0.0000   23.874   11.370  ?   ?       ?      ? 
1 1 1  -14    5   91 o   51.681   15.857   22.028   12.166   22.028   12.166   0.0000   0.0000   51.681   15.857  ?   ?       ?      ? 
1 1 1  -14    6    1 o  988.988   13.677  6656.67  173.277  6674.38  212.977  6621.99  298.017  991.447   15.852  986.529   22.292 4.917419 27.35351 
1 1 1  -14    6    2 o  464.162   7.2540  1447.60   43.150  1420.48   52.777  1502.28   74.940  457.729   8.5084  470.595   11.751 -12.86551 14.50809 
1 1 1  -14    6    3 o  706.607   16.477  3390.77  157.779   0.0000   0.0000  3390.77  157.779  ?   ?   706.607   16.477      ?      ? 
1 1 1  -14    6    4 o  292.387   5.5427  577.728   21.043  573.247   26.190  585.889   35.344  290.813   6.6457  293.960   8.8725 -3.146667 11.08547 
1 1 1  -14    6    5 o  622.886   10.623  2634.27   89.650  2582.11  126.989  2686.10  126.581  616.724   15.195  629.048   14.849 -12.32361 21.24563 
1 1 1  -14    6    6 o  820.900   11.621  4654.89  123.919  4875.06  156.657  4286.81  202.553  847.570   13.639  794.231   18.820 53.33826 23.24229 
1 1 1  -14    6    7 o  523.317   7.9667  1861.57   53.682  1870.50   66.371  1844.67   91.287  525.224   9.3251  521.409   12.920 3.814697 15.93341 
1 1 1  -14    6    8 o  860.896   12.050  4990.21  131.973  4909.14  160.349  5160.45  232.352  850.499   13.913  871.292   19.679 -20.79242 24.10018 
1 1 1  -14    6    9 o  613.225   9.0354  2562.32   71.349  2586.84   88.332  2516.29  121.026  617.598   10.554  608.853   14.668 8.745056 18.07084 
1 1 1  -14    6   10 o  298.062   5.6383  601.553   21.796  599.783   27.123  604.781   36.625  297.467   6.7284  298.658   9.0494 -1.191040 11.27661 
1 1 1  -14    6   11 o  678.984   11.435  3127.15  105.217  3127.15  105.217   0.0000   0.0000  678.984   11.435  ?   ?       ?      ? 
1 1 1  -14    6   12 o  455.815   8.4986  1408.62   52.495  1408.62   52.495   0.0000   0.0000  455.815   8.4986  ?   ?       ?      ? 
1 1 1  -14    6   13 o  983.917   13.640  6594.84  172.085  6626.13  211.831  6534.10  295.097  987.861   15.824  979.974   22.221 7.886841 27.27956 
1 1 1  -14    6   14 o  276.799   5.1735  515.536   17.307  510.965   20.266  527.852   33.265  274.577   5.4464  279.021   8.7976 -4.444122 10.34705 
1 1 1  -14    6   15 o  662.591   7.9090  2976.87   71.002  3030.96  101.604  2925.24   99.260  668.469   11.216  656.712   11.154 11.75696 15.81791 
1 1 1  -14    6   16 f  575.819   7.0795  2248.44   55.242  2260.98   78.415  2236.09   77.835  577.411   10.021  574.227   10.002 3.184875 14.15909 
1 1 1  -14    6   17 o  622.027   7.5214  2623.04   63.385  2678.26   90.845  2570.65   88.482  628.402   10.668  615.651   10.606 12.75073 15.04278 
1 1 1  -14    6   18 o  679.442   8.0794  3131.18   74.387  3097.04  104.589  3166.12  105.819  675.696   11.422  683.189   11.430 -7.493042 16.15885 
1 1 1  -14    6   19 o  357.778   5.2009  867.296   25.208  837.811   35.243  898.182   36.070  351.554   7.3977  364.002   7.3124 -12.44791 10.40179 
1 1 1  -14    6   20 o  1417.42   15.728 13670.20  302.075 13484.28  423.307 13863.11  431.199  1407.62   22.192  1427.23   22.295 -19.60693 31.45666 
1 1 1  -14    6   21 o  866.653   9.9786  5093.41  117.130  5254.79  169.006  4944.25  162.480  879.843   14.175  853.463   14.049 26.38007 19.95711 
1 1 1  -14    6   22 o  628.900   9.3859  2699.19   75.449  2638.96  129.791  2729.93   92.725  623.397   15.364  634.403   10.786 -11.00549 18.77172 
1 1 1  -14    6   23 o  314.086   6.1864  666.862   24.493  674.484   43.658  663.360   29.589  315.351   10.216  312.822   6.9799 2.528381 12.37283 
1 1 1  -14    6   24 o  723.866   8.5405  3554.62   83.768  3499.59  117.410  3611.69  119.550  718.162   12.064  729.570   12.092 -11.40863 17.08108 
1 1 1  -14    6   25 f  101.973   5.0642   70.609   6.9858   67.849   10.052   73.187   9.7154  100.040   7.4147  103.905   6.8999 -3.864052 10.12847 
1 1 1  -14    6   26 o  782.226   9.1287  4152.32   96.756  4211.56  138.053  4095.13  135.648  787.706   12.933  776.747   12.887 10.95947 18.25746 
1 1 1  -14    6   27 o  371.401   5.3702  935.213   27.028  934.802   38.254  935.623   38.192  371.319   7.6024  371.482   7.5868 -0.1634827 10.74035 
1 1 1  -14    6   28 o  571.403   8.7526  2215.55   63.620  2214.51   77.586  2217.69  111.149  571.368   10.020  571.437   14.353 -0.6884766E-01 17.50512 
1 1 1  -14    6   29 o  459.295   7.5608  1444.17   44.323  1470.66   54.493  1392.40   76.188  465.681   8.6352  452.909   12.413 12.77194 15.12151 
1 1 1  -14    6   30 o  234.776   4.5593  373.677   14.505  371.004   20.542  376.335   20.485  233.938   6.4796  235.614   6.4157 -1.676056 9.118505 
1 1 1  -14    6   31 o  359.303   5.2994  875.101   25.799  892.417   36.862  858.477   36.119  362.786   7.4981  355.820   7.4907 6.965332 10.59871 
1 1 1  -14    6   32 o  516.679   6.5999  1810.84   46.209  1825.65   65.622  1796.28   65.081  518.773   9.3344  514.584   9.3329 4.189453 13.19978 
1 1 1  -14    6   33 o  314.474   5.0111  670.433   21.353  681.803   30.409  659.372   29.992  317.104   7.0765  311.844   7.0971 5.260406 10.02221 
1 1 1  -14    6   34 o  277.795   5.8062  531.007   20.906  551.119   26.283  496.359   34.496  285.103   6.8027  270.487   9.4112 14.61673 11.61237 
1 1 1  -14    6   35 o  815.537   11.599  4523.81  121.076  4521.55  148.567  4528.26  208.924  815.781   13.439  815.294   18.910 0.4862671 23.19899 
1 1 1  -14    6   36 o  457.548   6.1394  1417.91   38.036  1358.19   52.551  1483.61   55.123  447.448   8.6668  467.649   8.6982 -20.20120 12.27888 
1 1 1  -14    6   37 o  577.388   8.8614  2282.75   65.576  2209.26  111.875  2321.22   80.938  569.992   14.484  584.783   10.213 -14.79095 17.72272 
1 1 1  -14    6   38 f  295.805   7.1660  593.576   28.715  577.442   39.976  610.775   41.274  291.656   10.115  299.954   10.154 -8.297699 14.33203 
1 1 1  -14    6   39 o  434.614   8.5155  1283.51   50.152  1291.28   70.919  1275.73   70.932  435.933   12.005  433.294   12.080 2.638977 17.03091 
1 1 1  -14    6   40 o  825.486   11.835  4660.10  125.004  4596.30  214.976  4692.69  153.650  820.391   19.337  830.581   13.651 -10.19006 23.67001 
1 1 1  -14    6   41 o  363.597   5.4061  896.935   26.637  900.135   37.801  893.779   37.540  364.241   7.6583  362.954   7.6324 1.286774 10.81218 
1 1 1  -14    6   42 o  569.375   7.1412  2201.60   55.094  2232.16   78.652  2172.17   77.196  573.249   10.125  565.501   10.073 7.748352 14.28236 
1 1 1  -14    6   43 o  306.231   6.1074  626.466   23.843  666.438   42.079  607.566   28.936  313.215   9.9139  299.247   7.1354 13.96829 12.21473 
1 1 1  -14    6   44 o  413.781   7.0788  1165.89   37.520  1155.67   64.484  1171.12   46.133  412.215   11.544  415.348   8.1963 -3.133209 14.15758 
1 1 1  -14    6   45 o  422.763   7.2828  1216.40   39.134  1219.23   47.726  1210.57   68.368  423.753   8.3111  421.774   11.962 1.979126 14.56561 
1 1 1  -14    6   46 o  265.216   6.8299  477.320   24.547  477.320   24.547   0.0000   0.0000  265.216   6.8299  ?   ?       ?      ? 
1 1 1  -14    6   47 f  214.899   4.6564  313.376   13.560  314.011   19.274  312.754   19.080  215.113   6.6119  214.685   6.5582 0.4282837 9.312719 
1 1 1  -14    6   48 o  429.652   5.9444  1254.03   34.610  1259.01   49.118  1249.11   48.775  430.499   8.4195  428.806   8.3938 1.693237 11.88878 
1 1 1  -14    6   49 o  438.964   6.0269  1309.31   35.851  1308.60   50.718  1310.01   50.685  438.845   8.5284  439.082   8.5182 -0.2368164 12.05378 
1 1 1  -14    6   50 o  101.184   5.4970   69.837   7.4968   61.894   10.651   77.637   10.554   95.442   8.2348  106.925   7.2839 -11.48331 10.99396 
1 1 1  -14    6   51 o  139.918   6.8912  132.922   13.066  132.922   13.066   0.0000   0.0000  139.918   6.8912  ?   ?       ?      ? 
1 1 1  -14    6   52 o  147.346   4.8008  147.322   9.5820  153.166   13.734  141.781   13.375  150.193   6.7479  144.499   6.8304 5.693329 9.601506 
1 1 1  -14    6   53 o  434.958   6.0063  1286.26   35.401  1268.14   49.815  1304.75   50.318  431.860   8.5120  438.056   8.4764 -6.195587 12.01266 
1 1 1  -14    6   54 o  635.303   7.8141  2750.66   67.258  2688.26   93.973  2816.19   96.305  627.923   11.044  642.684   11.058 -14.76123 15.62814 
1 1 1  -14    6   55 o  268.478   6.1144  498.659   20.941  465.073   35.694  516.288   25.860  261.274   10.081  275.682   6.9220 -14.40829 12.22885 
1 1 1  -14    6   56 o  296.142   6.2743  615.206   24.119  673.820   30.947  524.506   38.496  314.882   7.2524  277.402   10.241 37.48010 12.54859 
1 1 1  -14    6   57 o  278.213   5.9786  523.781   21.471  517.247   26.512  536.232   36.600  275.881   7.0916  280.545   9.6272 -4.663757 11.95713 
1 1 1  -14    6   58 o  317.528   5.2130  685.474   22.430  678.552   31.677  692.434   31.766  315.917   7.3992  319.140   7.3452 -3.223114 10.42593 
1 1 1  -14    6   59 o  159.615   4.8792  173.213   10.549  167.068   14.913  179.367   14.923  156.773   7.0198  162.458   6.7787 -5.685562 9.758482 
1 1 1  -14    6   60 o  213.515   4.8298  309.804   13.972  305.773   19.544  314.019   19.983  212.097   6.7997  214.932   6.8608 -2.834686 9.659562 
1 1 1  -14    6   61 o  287.775   6.4866  579.279   23.558  608.213   28.930  522.330   40.587  299.061   7.1386  276.488   10.833 22.57260 12.97319 
1 1 1  -14    6   62 o  253.862   6.8737  438.366   23.602  462.280   34.706  417.791   32.193  260.260   9.8404  247.463   9.5999 12.79718 13.74744 
1 1 1  -14    6   63 o  171.971   6.0594  197.165   13.282  214.312   23.551  189.167   16.084  177.183   9.8086  166.759   7.1173 10.42403 12.11873 
1 1 1  -14    6   64 o  238.151   4.9814  385.704   16.069  369.655   22.514  402.368   22.942  233.092   7.1276  243.210   6.9608 -10.11826 9.962728 
1 1 1  -14    6   65 o  134.873   5.2612  123.965   9.5969  114.670   13.542  133.344   13.603  129.766   7.7006  139.981   7.1709 -10.21439 10.52246 
1 1 1  -14    6   66 o  174.730   4.9344  207.900   11.674  199.024   16.558  216.673   16.462  171.001   7.1455  178.459   6.8069 -7.458237 9.868743 
1 1 1  -14    6   67 o  187.307   4.9282  238.700   12.507  243.948   17.892  233.685   17.490  189.318   6.9739  185.294   6.9652 4.024048 9.856448 
1 1 1  -14    6   68 o  213.269   4.9333  309.442   14.232  284.429   19.839  335.960   20.427  204.369   7.1635  222.169   6.7848 -17.80043 9.866567 
1 1 1  -14    6   69 o  177.286   4.9627  213.883   11.918  221.907   17.140  206.373   16.582  180.504   7.0072  174.069   7.0295 6.435211 9.925478 
1 1 1  -14    6   70 o   81.011   9.0011   49.685   8.6743   36.342   14.763   56.721   10.720   70.916   15.770   91.105   8.6830 -20.18859 18.00214 
1 1 1  -14    6   71 o  168.598   5.0176  193.720   11.461  197.785   16.421  189.858   16.005  170.319   7.1146  166.877   7.0774 3.442291 10.03527 
1 1 1  -14    6   72 o  258.382   5.0355  455.307   17.628  465.588   25.203  445.461   24.666  261.237   7.1194  255.527   7.1232 5.709808 10.07101 
1 1 1  -14    6   73 o  132.025   6.3695  121.428   10.906  126.599   13.749  112.656   17.909  136.125   7.4536  127.925   10.331 8.200371 12.73901 
1 1 1  -14    6   74 o  215.540   5.0087  317.152   14.612  339.324   20.964  296.200   20.379  222.897   6.9403  208.184   7.2236 14.71358 10.01738 
1 1 1  -14    6   75 o  177.320   6.3354  216.463   14.121  216.958   17.064  215.387   25.153  178.128   7.0693  176.512   10.515 1.615524 12.67075 
1 1 1  -14    6   76 o   93.542   6.3714   60.400   8.0521   55.281   11.420   65.460   11.355   89.523   9.4137   97.561   8.5885 -8.038559 12.74288 
1 1 1  -14    6   77 o  145.495   5.2172  144.996   10.272  156.386   14.801  134.413   14.267  151.034   7.2314  139.956   7.5222 11.07858 10.43439 
1 1 1  -14    6   78 o  118.705   6.9726   98.550   10.367   95.748   18.444   99.845   12.535  116.905   11.643  120.505   7.6758 -3.599419 13.94514 
1 1 1  -14    6   79 o  123.740   6.7784  105.867   10.530  107.835   18.885  104.980   12.685  123.992   11.240  123.489   7.5801 0.5028305 13.55684 
1 1 1  -14    6   80 o  139.661   5.2118  133.800   9.8195  152.821   14.365  117.116   13.453  149.017   7.1136  130.305   7.6188 18.71265 10.42351 
1 1 1  -14    6   81 o  134.161   5.2280  124.124   9.4998  129.464   13.672  119.140   13.209  136.957   7.3666  131.365   7.4203 5.591904 10.45598 
1 1 1  -14    6   82 o  197.653   6.0693  272.476   15.295  271.010   26.479  273.211   18.737  196.324   9.9529  198.982   6.9487 -2.658646 12.13859 
1 1 1  -14    6   83 o  125.346   6.4814  107.376   10.442  119.299   18.247  101.570   12.733  129.783   10.375  120.908   7.7710 8.875320 12.96276 
1 1 1  -14    6   84 o  100.532   7.0773   69.625   9.1252   78.107   16.036   65.563   11.097  104.293   11.347   96.772   8.4619 7.520927 14.15457 
1 1 1  -14    6   85 o   79.711   7.9901   45.723   8.1876   46.274   13.955   45.434   10.111   79.293   12.987   80.130   9.3110 -0.8377838 15.98016 
1 1 1  -14    6   86 o  117.336   6.7800  100.498   10.146   89.885   16.968  106.405   12.659  111.315   11.249  123.357   7.5726 -12.04257 13.56008 
1 1 1  -14    6   87 o   89.822   12.019   59.425   14.630   59.425   14.630   0.0000   0.0000   89.822   12.019  ?   ?       ?      ? 
1 1 1  -14    6   88 f   95.955   11.557   67.756   15.028   67.756   15.028   0.0000   0.0000   95.955   11.557  ?   ?       ?      ? 
1 1 1  -14    6   89 o  113.109   10.723   93.505   16.436   93.505   16.436   0.0000   0.0000  113.109   10.723  ?   ?       ?      ? 
1 1 1  -14    6   90 f   45.078   15.757   15.893   11.856   15.893   11.856   0.0000   0.0000   45.078   15.757  ?   ?       ?      ? 
1 1 1  -14    7    1 o  550.687   6.8304  2056.29   50.969  2084.65   72.533  2028.64   71.638  554.437   9.6538  546.937   9.6654 7.500122 13.66077 
1 1 1  -14    7    2 f  499.573   6.3703  1691.50   43.116  1655.76   60.171  1729.23   61.812  494.152   8.9855  504.995   9.0325 -10.84286 12.74067 
1 1 1  -14    7    3 o  778.391   11.161  4126.85  110.965  4078.03  191.686  4151.46  136.085  774.619   18.261  782.162   12.839 -7.543701 22.32258 
1 1 1  -14    7    4 o  639.293   9.4829  2748.12   76.704  2844.89  136.514  2703.48   92.725  647.260   15.564  631.325   10.838 15.93494 18.96571 
1 1 1  -14    7    5 o  419.280   5.6713  1191.81   32.223  1198.32   45.655  1185.36   45.486  420.420   8.0135  418.140   8.0275 2.280548 11.34264 
1 1 1  -14    7    6 o  784.671   9.1303  4178.08   97.085  4166.49  136.993  4189.79  137.608  783.578   12.901  785.763   12.923 -2.185791 18.26061 
1 1 1  -14    7    7 o  299.631   5.5961  590.450   21.584  553.880   26.293  666.020   37.796  285.852   6.7875  313.409   8.8992 -27.55737 11.19223 
1 1 1  -14    7    8 o  814.693   10.819  4472.18  103.377  4438.20  119.124  4575.81  208.042  808.901   10.867  820.486   18.711 -11.58502 21.63795 
1 1 1  -14    7    9 o  427.760   6.6937  1240.31   38.802  1240.31   38.802   0.0000   0.0000  427.760   6.6937  ?   ?       ?      ? 
1 1 1  -14    7   10 o  647.346   9.0061  2841.49   79.005  2841.49   79.005   0.0000   0.0000  647.346   9.0061  ?   ?       ?      ? 
1 1 1  -14    7   11 o  737.331   9.9933  3785.26   88.636  3904.26  104.605  3482.32  166.906  758.730   10.174  715.932   17.204 42.79852 19.98663 
1 1 1  -14    7   12 o  499.915   7.3315  1731.73   44.125  1777.46   52.024  1614.49   83.296  512.049   7.4974  487.781   12.601 24.26843 14.66300 
1 1 1  -14    7   13 o  577.031   8.0600  2161.69   53.638  2079.76   60.894  2445.31  113.296  553.857   8.1133  600.206   13.929 -46.34845 16.12000 
1 1 1  -14    7   14 o  977.243   12.800  6543.47  148.266  6600.85  172.503  6381.26  290.065  986.244   12.907  968.242   22.107 18.00189 25.59905 
1 1 1  -14    7   15 o  524.545   7.6304  1905.81   48.144  1954.56   56.721  1780.18   91.055  536.937   7.7954  512.154   13.120 24.78253 15.26077 
1 1 1  -14    7   16 o  609.166   8.5314  2552.56   62.088  2592.70   72.672  2444.08  119.473  618.362   8.6725  599.970   14.695 18.39172 17.06287 
1 1 1  -14    7   17 o  489.738   7.6768  1648.78   48.713  1705.51   61.153  1550.27   80.579  501.509   8.9982  477.967   12.441 23.54108 15.35361 
1 1 1  -14    7   18 o  700.067   8.2936  3325.27   78.680  3329.77  111.478  3320.81  111.064  700.538   11.743  699.597   11.715 0.9411011 16.58723 
1 1 1  -14    7   19 o  462.405   6.0809  1448.14   38.081  1504.19   55.001  1396.53   52.778  470.989   8.6175  453.822   8.5819 17.16644 12.16183 
1 1 1  -14    7   20 o  568.640   7.0705  2182.69   54.350  2356.58   80.306  2035.73   73.827  589.434   10.054  547.847   9.9442 41.58734 14.14092 
1 1 1  -14    7   21 o  486.818   7.8260  1624.89   48.682  1556.06   83.340  1660.55   59.979  478.799   12.844  494.838   8.9444 -16.03915 15.65198 
1 1 1  -14    7   22 o  927.422   10.596  5842.24  133.174  5848.50  188.513  5836.01  188.160  927.916   14.992  926.927   14.980 0.9888916 21.19282 
1 1 1  -14    7   23 o  198.052   4.4813  265.991   12.023  259.597   17.085  272.265   16.922  195.691   6.4425  200.412   6.2308 -4.720947 8.962582 
1 1 1  -14    7   24 o  831.132   9.6189  4690.23  108.332  4645.39  152.337  4736.11  154.087  827.115   13.591  835.149   13.615 -8.034180 19.23772 
1 1 1  -14    7   25 o  820.739   9.5173  4574.00  105.850  4601.65  150.335  4546.83  149.062  823.196   13.476  818.282   13.443 4.913696 19.03461 
1 1 1  -14    7   26 o  297.385   4.8923  599.595   19.715  596.588   27.906  602.591   27.858  296.640   6.9420  298.130   6.8954 -1.489899 9.784523 
1 1 1  -14    7   27 o  736.200   10.724  3715.91  101.299  3787.44  125.253  3580.67  172.236  746.900   12.375  725.500   17.519 21.40033 21.44871 
1 1 1  -14    7   28 o  390.735   5.5447  1035.33   29.359  1035.04   41.452  1035.62   41.588  390.681   7.8296  390.789   7.8531 -0.1085815 11.08938 
1 1 1  -14    7   29 o  409.342   5.6877  1136.33   31.550  1128.32   44.520  1144.42   44.718  407.891   8.0543  410.792   8.0329 -2.900879 11.37539 
1 1 1  -14    7   30 o  576.050   8.7126  2275.68   64.799  2329.83   80.773  2177.89  108.542  585.958   10.172  566.141   14.148 19.81714 17.42516 
1 1 1  -14    7   31 o  545.307   8.3182  1996.81   57.853  1954.89   70.387  2084.10  101.568  536.763   9.6767  553.851   13.533 -17.08795 16.63635 
1 1 1  -14    7   32 o  582.299   8.7759  2310.98   65.732  2328.71   81.242  2277.36  111.847  585.769   10.235  578.829   14.259 6.940308 17.55188 
1 1 1  -14    7   33 o  340.919   5.2110  787.595   24.064  757.261   33.537  819.786   34.548  334.157   7.4062  347.682   7.3326 -13.52493 10.42202 
1 1 1  -14    7   34 o  200.292   4.5576  272.126   12.360  258.342   17.437  286.046   17.522  195.189   6.5921  205.396   6.2953 -10.20613 9.115159 
1 1 1  -14    7   35 o  247.878   4.7019  416.247   15.786  432.437   22.739  401.184   21.933  252.527   6.6447  243.230   6.6542 9.296661 9.403743 
1 1 1  -14    7   36 o  391.609   7.9207  1040.39   42.034  1040.39   42.034   0.0000   0.0000  391.609   7.9207  ?   ?       ?      ? 
1 1 1  -14    7   37 o   87.303   5.8713   52.114   6.8929   46.898   10.035   56.773   9.4842   83.126   8.9084   91.480   7.6506 -8.353638 11.74266 
1 1 1  -14    7   38 o  513.970   8.1658  1799.78   53.485  1781.97   92.845  1808.62   65.433  511.797   13.387  516.143   9.3549 -4.345215 16.33158 
1 1 1  -14    7   39 o  190.488   4.6220  246.198   11.927  239.875   16.927  252.432   16.808  188.055   6.6421  192.921   6.4290 -4.866013 9.243921 
1 1 1  -14    7   40 o  480.898   7.7224  1556.92   47.285  1615.04   83.165  1529.15   57.480  487.224   12.596  474.572   8.9378 12.65195 15.44485 
1 1 1  -14    7   41 o  201.413   9.1205  275.502   24.894  275.502   24.894   0.0000   0.0000  201.413   9.1205  ?   ?       ?      ? 
1 1 1  -14    7   42 o  162.489   4.7544  178.538   10.451  190.722   15.311  167.909   14.301  167.661   6.7391  157.316   6.7084 10.34529 9.508800 
1 1 1  -14    7   43 o  411.860   7.1807  1167.09   37.889  1109.13   64.371  1197.82   46.869  403.712   11.766  420.007   8.2346 -16.29562 14.36140 
1 1 1  -14    7   44 o  164.386   6.9361  183.717   15.448  187.344   21.807  180.064   21.887  166.021   9.6929  162.751   9.9239 3.270081 13.87218 
1 1 1  -14    7   45 o  495.610   8.0345  1684.40   50.959  1710.78   62.787  1633.47   87.231  501.723   9.2347  489.496   13.150 12.22693 16.06900 
1 1 1  -14    7   46 o  114.949   5.1627   89.733   8.0370   88.972   11.544   90.448   11.197  114.472   7.4415  115.426   7.1581 -0.9549408 10.32537 
1 1 1  -14    7   47 o  324.218   5.1764  713.171   22.734  735.703   32.721  692.144   31.609  329.163   7.3355  319.273   7.3057 9.890350 10.35286 
1 1 1  -14    7   48 o  493.294   6.4906  1653.57   43.374  1697.34   62.304  1612.42   60.420  499.619   9.2023  486.969   9.1558 12.65051 12.98115 
1 1 1  -14    7   49 o  223.304   4.7320  338.609   14.316  331.527   20.301  345.615   20.192  220.975   6.7793  225.633   6.6037 -4.657806 9.464050 
1 1 1  -14    7   50 o  267.674   4.8910  485.674   17.725  512.969   25.678  460.832   24.497  274.847   6.8943  260.501   6.9394 14.34528 9.781938 
1 1 1  -14    7   51 o  353.542   5.3936  849.237   25.838  831.885   36.367  866.924   36.716  349.890   7.6699  357.194   7.5853 -7.304016 10.78719 
1 1 1  -14    7   52 o  283.326   4.9841  544.379   19.119  574.112   27.674  517.226   26.446  290.718   7.0245  275.935   7.0725 14.78345 9.968102 
1 1 1  -14    7   53 o  216.477   4.7594  317.795   13.951  332.039   20.220  304.854   19.273  221.098   6.7486  211.857   6.7130 9.241455 9.518867 
1 1 1  -14    7   54 f  245.346   6.7356  409.761   22.355  413.175   32.657  406.750   30.666  246.272   9.7854  244.419   9.2584 1.852997 13.47112 
1 1 1  -14    7   55 f  268.631   5.8829  487.947   20.473  480.842   25.374  501.201   34.656  266.003   7.0392  271.260   9.4278 -5.256989 11.76576 
1 1 1  -14    7   56 o  314.477   5.1927  671.597   22.117  699.443   31.881  645.763   30.708  320.755   7.3347  308.199   7.3524 12.55649 10.38538 
1 1 1  -14    7   57 o  351.487   6.5955  852.073   30.032  878.635   37.670  805.744   49.750  359.405   7.7345  343.569   10.685 15.83566 13.19101 
1 1 1  -14    7   58 o  118.077   7.2326   94.765   11.536   99.652   17.159   90.735   15.583  120.823   10.480  115.331   9.9705 5.491875 14.46525 
1 1 1  -14    7   59 o  226.865   6.0911  351.677   17.496  353.716   21.282  347.426   30.729  228.098   6.8851  225.633   10.050 2.464813 12.18229 
1 1 1  -14    7   60 o  174.132   6.1577  202.044   13.511  194.635   16.202  218.954   24.477  169.173   7.0674  179.090   10.086 -9.916168 12.31546 
1 1 1  -14    7   61 o  176.684   5.9759  209.633   13.407  221.383   23.799  204.170   16.227  180.098   9.7513  173.269   6.9109 6.828781 11.95190 
1 1 1  -14    7   62 o  208.274   6.0723  296.978   15.974  291.963   28.146  299.360   19.401  206.745   10.046  209.803   6.8239 -3.057251 12.14458 
1 1 1  -14    7   63 o  145.968   5.2122  144.867   10.303  149.219   14.904  140.883   14.260  148.060   7.4281  143.875   7.3139 4.184921 10.42449 
1 1 1  -14    7   64 o  256.697   4.9963  447.043   17.352  481.905   25.308  416.115   23.837  266.120   7.0177  247.274   7.1136 18.84628 9.992586 
1 1 1  -14    7   65 o   84.444   6.6350   48.603   7.5843   50.934   11.043   46.522   10.435   86.352   9.4366   82.535   9.3297 3.817291 13.26998 
1 1 1  -14    7   66 o  190.538   7.0446  247.162   18.190  247.162   18.190   0.0000   0.0000  190.538   7.0446  ?   ?       ?      ? 
1 1 1  -14    7   67 o  185.381   4.9462  234.073   12.422  227.851   17.588  240.266   17.547  182.908   7.0956  187.853   6.8928 -4.944366 9.892355 
1 1 1  -14    7   68 o  275.192   6.1919  510.668   21.673  537.056   38.299  498.237   26.287  279.976   10.095  270.408   7.1735 9.567780 12.38383 
1 1 1  -14    7   69 o   72.288   9.8259   42.824   8.6229   22.145   14.821   53.405   10.602   56.206   17.545   88.371   8.8530 -32.16506 19.65178 
1 1 1  -14    7   70 o   75.575   7.2673   39.059   7.3877   46.121   10.817   32.884   10.114   82.003   9.7338   69.147   10.794 12.85623 14.53455 
1 1 1  -14    7   71 o  129.184   5.4740  114.142   9.5739  110.396   13.677  117.741   13.406  127.075   7.9424  131.293   7.5349 -4.217842 10.94791 
1 1 1  -14    7   72 o  130.692   6.3066  113.951   10.810  105.224   13.462  129.793   18.138  123.997   8.0115  137.387   9.7422 -13.39040 12.61325 
1 1 1  -14    7   73 o  204.920   6.6629  294.781   16.728  303.347   19.975  274.670   30.607  210.700   6.9958  199.139   11.342 11.56093 13.32588 
1 1 1  -14    7   74 f  123.953   6.9734  105.411   10.904  104.329   13.178  107.761   19.418  123.357   7.8831  124.548   11.505 -1.190712 13.94679 
1 1 1  -14    7   75 o  222.444   5.0214  338.923   15.133  332.322   21.486  345.420   21.317  220.262   7.1985  224.626   7.0029 -4.363846 10.04281 
1 1 1  -14    7   76 o  101.317   6.1911   72.173   8.2538   52.903   11.711   91.194   11.635   87.367   9.8913  115.267   7.4486 -27.89994 12.38227 
1 1 1  -14    7   77 o  203.515   5.0280  284.371   13.847  283.389   20.105  285.257   19.099  203.108   7.3046  203.923   6.9114 -0.8144989 10.05607 
1 1 1  -14    7   78 o   74.802   9.4439   41.854   8.5116   36.955   15.178   44.102   10.280   69.961   16.310   79.643   9.5253 -9.681725 18.88776 
1 1 1  -14    7   79 o  200.072   4.9878  275.238   13.516  284.951   19.513  266.282   18.738  203.450   7.0776  196.694   7.0299 6.756454 9.975624 
1 1 1  -14    7   80 o   39.575   9.5166   10.660   6.1975   7.8402   9.0958   13.104   8.4670   36.581   13.658   42.569   13.256 -5.988701 19.03315 
1 1 1  -14    7   81 o  191.092   6.1636  257.467   14.902  246.813   25.915  262.731   18.216  187.072   10.222  195.113   6.8893 -8.040665 12.32723 
1 1 1  -14    7   82 o   61.878   9.1616   22.476   7.4644   50.767   13.931   11.082   8.8405   83.885   12.255   39.870   13.622 44.01426 18.32318 
1 1 1  -14    7   83 o  119.226   6.6315   99.720   10.080  102.180   17.560   98.511   12.311  119.510   10.843  118.941   7.6379 0.5694504 13.26291 
1 1 1  -14    7   84 o  110.291   6.9706   88.135   9.6546   82.058   16.829   91.117   11.787  106.332   11.679  114.251   7.6133 -7.918526 13.94120 
1 1 1  -14    7   85 o   70.454   8.9516   31.571   7.8812   60.660   14.407   19.149   9.4148   91.169   11.661   49.739   13.584 41.42999 17.90325 
1 1 1  -14    7   86 o   40.933   15.430   11.222   11.666   11.222   11.666   0.0000   0.0000   40.933   15.430  ?   ?       ?      ? 
1 1 1  -14    7   87 f   80.480   12.657   48.465   13.804   48.465   13.804   0.0000   0.0000   80.480   12.657  ?   ?       ?      ? 
1 1 1  -14    7   88 o   80.431   12.808   48.794   13.960   48.794   13.960   0.0000   0.0000   80.431   12.808  ?   ?       ?      ? 
1 1 1  -14    7   89 o   42.714   15.654   13.575   11.850   13.575   11.850   0.0000   0.0000   42.714   15.654  ?   ?       ?      ? 
1 1 1  -14    7   90 o   32.756   14.112   2.3705   11.364   2.3705   11.364   0.0000   0.0000   32.756   14.112  ?   ?       ?      ? 
1 1 1  -14    8    1 o  874.690   12.379  5204.95  138.134  5192.94  239.726  5210.92  169.014  873.422   20.254  875.958   14.238 -2.535400 24.75774 
1 1 1  -14    8    2 o  494.330   6.3558  1655.00   42.548  1726.71   61.496  1589.15   58.929  504.587   8.9934  484.072   8.9834 20.51501 12.71152 
1 1 1  -14    8    3 o  751.099   8.8032  3828.14   89.591  3892.33  127.922  3766.34  125.515  757.276   12.465  744.922   12.434 12.35364 17.60641 
1 1 1  -14    8    4 o  609.787   7.4344  2518.86   61.388  2625.38   88.896  2421.75   84.874  622.091   10.545  597.482   10.483 24.60840 14.86880 
1 1 1  -14    8    5 o  267.783   4.6528  486.022   16.882  475.113   23.726  497.209   24.026  264.739   6.6133  270.826   6.5466 -6.087280 9.305547 
1 1 1  -14    8    6 o  1050.49   11.874  7494.50  168.958  7705.01  243.225  7298.20  234.880  1064.72   16.857  1036.26   16.726 28.46375 23.74732 
1 1 1  -14    8    7 o  298.742   6.3401  606.355   23.365  607.942   27.808  602.545   43.088  299.463   6.8525  298.022   10.669 1.440948 12.68012 
1 1 1  -14    8    8 o  1078.12   14.039  7892.68  205.112  7892.68  205.112   0.0000   0.0000  1078.12   14.039  ?   ?       ?      ? 
1 1 1  -14    8    9 o  274.393   5.1446  501.875   17.173  491.384   20.135  529.877   32.896  269.254   5.5183  279.532   8.6842 -10.27829 10.28917 
1 1 1  -14    8   10 o  637.058   9.3562  2781.64   76.997  2845.90   96.017  2665.86  128.879  647.660   10.940  626.457   15.181 21.20282 18.71240 
1 1 1  -14    8   11 o  756.044   10.138  3803.50   89.196  3731.44  102.119  4035.37  183.189  741.674   10.160  770.414   17.547 -28.74017 20.27595 
1 1 1  -14    8   12 f  524.212   7.5744  1866.44   47.273  1868.76   55.020  1859.91   92.396  524.995   7.7336  523.429   13.026 1.565674 15.14884 
1 1 1  -14    8   13 o  859.974   11.403  5046.14  116.017  5067.85  134.691  4983.72  228.379  864.192   11.501  855.755   19.694 8.437744 22.80607 
1 1 1  -14    8   14 o  379.921   6.1324  990.177   28.081  1004.03   33.019  953.960   53.379  384.856   6.3311  374.985   10.504 9.870575 12.26483 
1 1 1  -14    8   15 o  379.595   6.0873  971.339   27.684  964.779   32.269  989.628   53.882  377.257   6.3119  381.932   10.410 -4.675629 12.17450 
1 1 1  -14    8   16 o  203.936   4.9761  294.389   12.524  315.013   15.197  250.740   22.109  215.585   5.2018  192.287   8.4846 23.29749 9.952288 
1 1 1  -14    8   17 o  215.901   4.7497  301.652   12.622  283.474   14.793  350.316   24.204  204.506   5.3378  227.296   7.8579 -22.79068 9.499446 
1 1 1  -14    8   18 o  216.216   5.2045  338.820   13.774  376.813   16.850  262.283   23.915  235.783   5.2734  196.650   8.9742 39.13292 10.40890 
1 1 1  -14    8   19 o  256.351   8.6696  445.689   30.117   0.0000   0.0000  445.689   30.117  ?   ?   256.351   8.6696      ?      ? 
1 1 1  -14    8   20 o  250.161   4.5871  424.300   15.548  417.377   22.013  431.193   21.964  248.124   6.5469  252.199   6.4267 -4.075851 9.174133 
1 1 1  -14    8   21 o  402.173   5.5933  1095.83   30.468  1051.80   42.408  1142.80   43.803  393.830   7.9461  410.516   7.8740 -16.68597 11.18662 
1 1 1  -14    8   22 o  711.921   8.4245  3440.68   81.275  3426.91  114.734  3454.54  115.146  710.492   11.917  713.351   11.911 -2.859253 16.84897 
1 1 1  -14    8   23 o  245.276   6.5225  407.866   21.680  407.866   21.680   0.0000   0.0000  245.276   6.5225  ?   ?       ?      ? 
1 1 1  -14    8   24 o  606.748   7.4178  2497.59   60.983  2539.83   87.142  2457.05   85.370  611.773   10.511  601.724   10.469 10.04803 14.83567 
1 1 1  -14    8   25 f  500.252   9.1343  1697.66   61.922  1697.66   61.922   0.0000   0.0000  500.252   9.1343  ?   ?       ?      ? 
1 1 1  -14    8   26 o  393.246   7.8796  1048.78   41.990  1048.78   41.990   0.0000   0.0000  393.246   7.8796  ?   ?       ?      ? 
1 1 1  -14    8   27 o  271.664   5.6624  497.398   19.977  489.720   24.824  511.509   33.651  268.745   6.8163  274.584   9.0436 -5.838257 11.32474 
1 1 1  -14    8   28 o  696.700   8.3407  3292.91   78.702  3195.71  109.106  3398.35  113.635  686.000   11.737  707.399   11.854 -21.39960 16.68133 
1 1 1  -14    8   29 o  394.001   7.9217  1052.95   42.296  1052.95   42.296   0.0000   0.0000  394.001   7.9217  ?   ?       ?      ? 
1 1 1  -14    8   30 o  368.696   5.3924  921.947   26.941  928.432   38.338  915.619   37.867  369.976   7.6466  367.416   7.6054 2.559784 10.78488 
1 1 1  -14    8   31 o  151.959   4.6742  156.382   9.6157  161.040   13.981  152.201   13.246  154.102   6.6951  149.816   6.5243 4.285965 9.348366 
1 1 1  -14    8   32 o  212.718   4.5966  306.479   13.241  317.035   19.160  296.828   18.320  216.219   6.5392  209.217   6.4617 7.002136 9.193211 
1 1 1  -14    8   33 o  189.521   6.4983  243.585   16.689  243.585   16.689   0.0000   0.0000  189.521   6.4983  ?   ?       ?      ? 
1 1 1  -14    8   34 o  374.740   5.4555  952.794   27.703  948.793   39.290  956.749   39.068  373.955   7.7531  375.525   7.6771 -1.569427 10.91094 
1 1 1  -14    8   35 o  447.106   6.0360  1356.58   36.568  1372.62   52.165  1341.08   51.275  449.702   8.5600  444.510   8.5123 5.191193 12.07198 
1 1 1  -14    8   36 o  222.184   5.9020  339.467   16.452  323.289   29.122  347.050   19.938  218.169   9.8503  226.199   6.5043 -8.029861 11.80401 
1 1 1  -14    8   38 o  137.035   5.6592  125.220   9.9243  134.233   17.411  120.882   12.079  140.586   9.1388  133.485   6.6774 7.101547 11.31835 
1 1 1  -14    8   39 o  188.285   4.5924  240.206   11.708  248.028   16.976  233.109   16.169  191.203   6.5517  185.368   6.4369 5.835373 9.184721 
1 1 1  -14    8   40 o  118.516   5.0016   95.122   8.0206   98.808   11.743   91.899   10.981  120.660   7.1815  116.371   6.9636 4.289330 10.00325 
1 1 1  -14    8   41 o  310.717   5.0457  655.302   21.243  653.409   30.233  657.148   29.856  310.270   7.1905  311.165   7.0804 -0.8947144 10.09133 
1 1 1  -14    8   42 o  262.458   6.0219  468.870   20.057  470.612   24.433  465.268   35.123  263.327   6.8470  261.590   9.9082 1.736877 12.04380 
1 1 1  -14    8   43 o  447.262   6.0893  1358.73   36.901  1331.09   51.633  1387.58   52.757  442.615   8.6083  451.909   8.6149 -9.294098 12.17862 
1 1 1  -14    8   44 o  179.960   4.6458  219.753   11.323  221.368   16.310  218.250   15.733  180.593   6.6647  179.326   6.4741 1.267776 9.291522 
1 1 1  -14    8   45 o  199.720   4.6864  270.522   12.620  235.106   17.497  308.923   18.219  186.090   6.9383  213.350   6.3017 -27.25967 9.372898 
1 1 1  -14    8   46 o  316.177   5.1317  678.366   21.978  697.827   31.643  660.227   30.549  320.552   7.2846  311.801   7.2300 8.750153 10.26343 
1 1 1  -14    8   47 o  217.917   4.7135  322.395   13.913  323.064   19.979  321.764   19.388  218.131   6.7588  217.704   6.5717 0.4269867 9.427010 
1 1 1  -14    8   48 o  337.224   6.5576  769.362   27.936  785.685   49.690  761.818   33.780  339.579   10.798  334.869   7.4439 4.709991 13.11523 
1 1 1  -14    8   49 o  163.121   7.0931  181.187   15.654  167.712   21.922  195.208   22.361  156.910   10.310  169.333   9.7446 -12.42239 14.18613 
1 1 1  -14    8   50 o  318.935   6.4492  688.010   26.135  680.206   31.757  704.385   46.003  316.387   7.4069  321.484   10.560 -5.097290 12.89836 
1 1 1  -14    8   51 o  153.840   4.8533  160.926   10.104  157.508   14.591  164.076   14.005  152.257   7.0715  155.424   6.6493 -3.167068 9.706692 
1 1 1  -14    8   52 o  371.522   7.8130  942.452   39.305  903.750   55.764  980.661   55.408  363.876   11.309  379.169   10.783 -15.29294 15.62598 
1 1 1  -14    8   53 o  230.466   9.0773  361.676   28.350   0.0000   0.0000  361.676   28.350  ?   ?   230.466   9.0773      ?      ? 
1 1 1  -14    8   54 o  341.427   6.5033  773.182   28.051  851.512   50.746  738.715   33.662  353.255   10.601  329.600   7.5365 23.65488 13.00654 
1 1 1  -14    8   55 o  299.505   5.0990  609.481   20.687  623.658   29.776  596.252   28.762  302.864   7.2550  296.147   7.1668 6.716949 10.19794 
1 1 1  -14    8   56 o  198.872   4.7785  268.629   12.869  273.511   18.619  264.165   17.806  200.592   6.8496  197.152   6.6646 3.440201 9.556904 
1 1 1  -14    8   57 o  254.222   4.9211  438.813   16.942  456.887   24.514  422.288   23.440  259.224   6.9785  249.220   6.9405 10.00368 9.842226 
1 1 1  -14    8   58 o  315.227   6.5460  682.190   26.250  691.276   32.138  663.974   45.503  318.755   7.4400  311.698   10.773 7.057373 13.09206 
1 1 1  -14    8   59 o  173.645   6.0376  206.376   13.208  202.931   23.387  207.990   16.004  172.394   10.011  174.896   6.7525 -2.502258 12.07530 
1 1 1  -14    8   60 o  251.051   6.0538  418.918   19.186  458.716   34.713  401.413   23.022  259.178   9.8835  242.923   6.9935 16.25560 12.10757 
1 1 1  -14    8   61 o  117.024   5.6536   93.868   8.9028   86.871   13.071   99.922   12.159  112.887   8.5446  121.161   7.4055 -8.274315 11.30718 
1 1 1  -14    8   62 o  128.794   5.2257  112.700   9.1068  116.896   13.328  109.026   12.472  131.028   7.5064  126.560   7.2722 4.468277 10.45133 
1 1 1  -14    8   63 o  169.275   4.9574  193.907   11.338  214.723   16.737  176.254   15.413  177.629   6.9532  160.921   7.0680 16.70769 9.914845 
1 1 1  -14    8   64 o  211.152   4.9236  303.765   14.075  291.002   20.019  316.241   19.793  206.736   7.1458  215.568   6.7754 -8.831512 9.847293 
1 1 1  -14    8   65 o  127.182   5.4423  110.718   9.3193   96.336   13.179  125.101   13.180  118.837   8.1837  135.527   7.1763 -16.69018 10.88450 
1 1 1  -14    8   66 o  129.399   5.4066  113.077   9.4336  128.991   14.121  100.251   12.677  137.550   7.5759  121.248   7.7157 16.30170 10.81323 
1 1 1  -14    8   67 o  198.298   6.0338  266.083   15.187  276.159   26.862  261.350   18.412  200.747   9.8743  195.849   6.9373 4.898834 12.06768 
1 1 1  -14    8   68 o  172.919   5.1386  201.427   11.929  244.851   17.905  166.772   15.995  189.515   6.9719  156.324   7.5507 33.19135 10.27719 
1 1 1  -14    8   69 o   75.306   7.1188   38.740   7.2339   44.135   10.646   34.112   9.8599   80.177   9.7982   70.436   10.330 9.740433 14.23761 
1 1 1  -14    8   70 o  138.041   5.3072  129.314   9.8742  149.894   14.589  111.917   13.414  148.142   7.2670  127.939   7.7367 20.20303 10.61444 
1 1 1  -14    8   71 o   67.773   9.1791   33.058   8.0721   35.129   10.506   30.074   12.611   71.302   10.873   64.243   14.792 7.058853 18.35827 
1 1 1  -14    8   72 o  168.114   6.5426  198.765   13.705  205.995   16.600  183.288   24.289  173.567   7.0575  162.661   11.019 10.90607 13.08528 
1 1 1  -14    8   73 o   86.222   6.6585   51.102   7.7571   56.939   11.308   45.914   10.661   90.894   9.1803   81.550   9.6471 9.344238 13.31707 
1 1 1  -14    8   74 o  157.638   5.0775  170.365   10.839  169.215   15.601  171.439   15.070  157.086   7.3286  158.190   7.0297 -1.104462 10.15508 
1 1 1  -14    8   75 o  120.703   5.5327  100.867   8.9712   86.441   12.758  114.979   12.618  111.969   8.4082  129.436   7.1934 -17.46705 11.06539 
1 1 1  -14    8   76 o  120.377   5.6249  101.280   8.9942   79.110   12.786  122.999   12.655  106.914   8.8248  133.840   6.9773 -26.92525 11.24986 
1 1 1  -14    8   77 o  104.273   7.4321   78.771   9.4714   69.628   17.079   82.832   11.382   98.955   12.736  109.590   7.6642 -10.63420 14.86429 
1 1 1  -14    8   78 o  167.883   4.9952  193.808   11.349  201.243   16.577  187.248   15.570  170.870   7.1592  164.895   6.9680 5.974335 9.990348 
1 1 1  -14    8   79 o  110.924   5.5676   85.155   8.3544   87.514   12.244   83.100   11.428  112.305   8.0451  109.544   7.6987 2.760849 11.13519 
1 1 1  -14    8   80 o   70.133   9.3687   42.168   7.9036   21.797   13.590   52.580   9.7156   53.379   16.823   86.887   8.2514 -33.50856 18.73734 
1 1 1  -14    8   81 o   48.328   10.446   17.320   7.1399   18.360   12.685   16.838   8.6382   49.384   16.311   47.273   13.054 2.111038 20.89189 
1 1 1  -14    8   82 o   65.795   9.4805   34.981   7.8042   25.035   13.334   40.163   9.6249   56.238   16.452   75.351   9.4259 -19.11309 18.96095 
1 1 1  -14    8   83 o  120.924   6.6628  102.294   10.288  108.531   18.012   99.275   12.533  122.729   10.830  119.118   7.7643 3.611488 13.32553 
1 1 1  -14    8   84 o  110.390   8.2205   89.122   12.270   89.573   16.846   88.612   17.907  110.978   11.201  109.803   12.035 1.174858 16.44099 
1 1 1  -14    8   85 o   94.668   11.907   66.119   15.276   66.119   15.276   0.0000   0.0000   94.668   11.907  ?   ?       ?      ? 
1 1 1  -14    8   86 o   82.348   12.608   50.811   14.069   50.811   14.069   0.0000   0.0000   82.348   12.608  ?   ?       ?      ? 
1 1 1  -14    8   87 o   89.597   12.131   60.023   14.729   60.023   14.729   0.0000   0.0000   89.597   12.131  ?   ?       ?      ? 
1 1 1  -14    8   88 o   73.201   14.503   42.853   13.878   42.853   13.878   0.0000   0.0000   73.201   14.503  ?   ?       ?      ? 
1 1 1  -14    8   89 o   44.338   15.847   15.421   12.048   15.421   12.048   0.0000   0.0000   44.338   15.847  ?   ?       ?      ? 
1 1 1  -14    9    1 f  207.615   4.3793  292.023   12.314  306.566   17.643  278.210   17.194  212.653   6.1222  202.577   6.2634 10.07602 8.758534 
1 1 1  -14    9    2 o  178.801   4.3175  216.666   10.456  207.570   14.659  226.089   14.919  174.981   6.1820  182.622   6.0286 -7.641342 8.634904 
1 1 1  -14    9    3 o  216.058   4.4058  316.450   12.899  314.069   18.173  318.869   18.313  215.238   6.2304  216.877   6.2311 -1.638535 8.811596 
1 1 1  -14    9    4 o  268.402   5.9550  476.149   19.795  458.991   23.415  519.133   37.061  260.192   6.6407  276.612   9.8869 -16.42010 11.91002 
1 1 1  -14    9    5 o  690.751   10.165  3213.50   88.665  3164.52  107.027  3320.66  158.309  682.779   11.567  698.723   16.719 -15.94452 20.33063 
1 1 1  -14    9    6 o  803.548   9.3677  4381.48  101.957  4521.61  146.963  4251.46  141.567  815.916   13.292  791.179   13.204 24.73688 18.73533 
1 1 1  -14    9    7 o  222.484   4.5610  335.129   13.731  310.543   19.072  361.586   19.785  214.021   6.5761  230.946   6.3218 -16.92500 9.121942 
1 1 1  -14    9    8 o  803.437   11.380  4358.62  116.523  4300.27  141.920  4479.30  204.115  795.715   13.161  811.159   18.569 -15.44464 22.76023 
1 1 1  -14    9    9 o  682.602   9.3318  3160.23   75.224  3155.66   87.120  3173.63  149.131  682.031   9.4261  683.173   16.108 -1.141846 18.66368 
1 1 1  -14    9   10 o  274.498   5.1955  501.070   17.300  489.316   20.235  532.999   33.352  268.674   5.5578  280.322   8.7797 -11.64752 10.39094 
1 1 1  -14    9   11 o  213.893   4.9146  314.715   12.969  321.402   15.512  299.185   23.639  217.753   5.2566  210.033   8.3054 7.720764 9.829130 
1 1 1  -14    9   12 o  196.722   8.0038  262.449   21.337   0.0000   0.0000  262.449   21.337  ?   ?   196.722   8.0038      ?      ? 
1 1 1  -14    9   13 o  195.733   4.8877  264.814   11.865  272.781   14.281  247.054   21.322  200.607   5.2532  190.859   8.2440 9.748154 9.775416 
1 1 1  -14    9   14 o  302.895   5.8080  627.477   22.873  641.503   28.739  603.242   37.777  307.594   6.8946  298.197   9.3486 9.397278 11.61603 
1 1 1  -14    9   15 o  135.390   5.0931  123.617   9.1570  121.007   11.767  127.624   14.580  133.598   6.4996  137.183   7.8431 -3.585358 10.18621 
1 1 1  -14    9   16 o  289.845   6.7943  572.246   26.579  524.559   38.137  617.279   37.061  278.036   10.122  301.653   9.0662 -23.61710 13.58868 
1 1 1  -14    9   17 o  622.565   10.726  2627.58   90.352  2453.52  124.233  2823.02  131.643  600.727   15.261  644.403   15.075 -43.67596 21.45109 
1 1 1  -14    9   18 o  174.461   5.0488  201.182   11.631  184.951   14.636  228.998   19.160  165.163   6.5391  183.758   7.6941 -18.59531 10.09753 
1 1 1  -14    9   19 o  413.694   6.8786  1168.89   36.833  1187.58   45.947  1135.29   61.611  418.443   8.1029  408.946   11.118 9.496735 13.75714 
1 1 1  -14    9   20 o  349.105   6.2850  840.367   28.560  879.565   36.191  775.661   46.498  360.138   7.4156  338.071   10.150 22.06787 12.57001 
1 1 1  -14    9   21 o  200.548   4.9778  279.631   12.432  291.197   15.058  254.866   22.034  207.260   5.3614  193.835   8.3885 13.42525 9.955516 
1 1 1  -14    9   22 o  257.245   5.1834  445.948   16.337  442.202   19.300  455.414   30.683  255.400   5.5765  259.090   8.7392 -3.689606 10.36678 
1 1 1  -14    9   23 o  705.062   10.345  3381.56   92.942  3383.13  113.567  3378.36  161.734  705.755   11.874  704.369   16.944 1.385681 20.69070 
1 1 1  -14    9   24 o  524.948   8.2664  1866.82   55.132  1857.64   67.084  1885.93   96.768  523.186   9.4619  526.710   13.557 -3.524292 16.53274 
1 1 1  -14    9   25 f  329.784   5.1199  737.596   22.879  739.506   32.605  735.743   32.111  330.202   7.2866  329.365   7.1944 0.8369751 10.23982 
1 1 1  -14    9   26 o  634.427   7.7116  2733.09   66.294  2692.10   93.142  2775.19   94.379  629.604   10.917  639.250   10.895 -9.645081 15.42316 
1 1 1  -14    9   27 o  573.675   7.1587  2228.94   55.581  2352.05   81.121  2120.02   76.305  588.562   10.171  558.788   10.077 29.77393 14.31746 
1 1 1  -14    9   28 o  194.373   4.5305  256.201   11.923  256.520   17.233  255.907   16.513  194.486   6.5386  194.260   6.2728 0.2255707 9.060959 
1 1 1  -14    9   29 o  594.582   7.3456  2397.69   59.141  2492.02   85.709  2311.95   81.709  605.722   10.442  583.442   10.334 22.27991 14.69120 
1 1 1  -14    9   30 o  430.298   5.8881  1254.55   34.305  1309.66   49.759  1204.61   47.360  439.288   8.3587  421.307   8.2953 17.98108 11.77626 
1 1 1  -14    9   31 o  246.075   4.6832  410.644   15.612  413.870   22.400  407.597   21.770  247.012   6.6919  245.138   6.5534 1.873535 9.366340 
1 1 1  -14    9   32 o  255.722   5.6887  443.618   18.615  444.454   32.150  443.197   22.832  255.833   9.2736  255.611   6.5915 0.2221680 11.37747 
1 1 1  -14    9   33 o  225.124   5.5474  341.901   15.982  350.246   27.748  337.758   19.551  227.107   9.0162  223.141   6.4656 3.966232 11.09484 
1 1 1  -14    9   34 f  151.733   6.3911  156.179   13.141   0.0000   0.0000  156.179   13.141  ?   ?   151.733   6.3911      ?      ? 
1 1 1  -14    9   35 o  126.879   6.5651  114.168   9.9249   99.094   18.660  120.115   11.720  120.697   11.408  133.060   6.4999 -12.36248 13.13018 
1 1 1  -14    9   36 o  518.373   6.6692  1825.58   46.846  1795.83   65.846  1856.07   66.661  514.095   9.4516  522.652   9.4118 -8.556885 13.33847 
1 1 1  -14    9   37 o  452.057   6.0979  1388.07   37.354  1388.87   53.083  1387.28   52.573  452.181   8.6628  451.932   8.5844 0.2490540 12.19572 
1 1 1  -14    9   38 o  307.158   5.0336  640.444   20.945  619.196   29.533  661.944   29.708  302.025   7.2159  312.292   7.0198 -10.26691 10.06712 
1 1 1  -14    9   39 o  273.900   4.8663  509.170   18.058  510.744   25.846  507.669   25.240  274.309   6.9529  273.492   6.8103 0.8171387 9.732607 
1 1 1  -14    9   40 o  410.498   7.1919  1157.50   37.741  1181.12   46.509  1111.95   64.584  416.971   8.2309  404.024   11.796 12.94702 14.38386 
1 1 1  -14    9   41 o  370.674   6.8639  943.203   32.435  960.882   39.841  908.459   55.854  376.119   7.8167  365.230   11.285 10.88934 13.72779 
1 1 1  -14    9   42 o  208.865   4.6698  295.933   13.209  301.335   19.085  290.966   18.300  210.688   6.6845  207.041   6.5226 3.647308 9.339536 
1 1 1  -14    9   43 o  294.574   5.0121  586.359   19.958  642.413   29.389  538.384   27.188  307.579   7.0508  281.569   7.1255 26.00961 10.02427 
1 1 1  -14    9   44 o  290.921   5.0037  574.893   19.723  566.011   28.019  583.615   27.767  288.685   7.1621  293.156   6.9896 -4.471252 10.00746 
1 1 1  -14    9   45 o  360.355   5.4428  880.496   26.550  924.680   38.658  841.051   36.526  368.889   7.7332  351.822   7.6612 17.06720 10.88564 
1 1 1  -14    9   46 o  255.570   4.8524  443.789   16.798  432.917   23.888  454.425   23.627  252.461   6.9824  258.678   6.7401 -6.216797 9.704814 
1 1 1  -14    9   47 o  232.990   4.7736  367.958   15.056  385.598   21.908  352.169   20.726  238.269   6.7850  227.712   6.7166 10.55676 9.547199 
1 1 1  -14    9   48 o  160.956   5.7222  179.498   12.137  193.056   15.809  160.036   18.940  168.576   6.9202  153.337   9.1151 15.23958 11.44441 
1 1 1  -14    9   49 o  168.725   5.7536  185.561   12.374  217.217   22.261  171.406   14.886  178.617   9.1970  158.834   6.9159 19.78273 11.50713 
1 1 1  -14    9   50 o  238.566   6.7597  384.987   21.723  412.046   32.942  364.166   28.897  245.886   9.8864  231.246   9.2212 14.63992 13.51932 
1 1 1  -14    9   51 o  196.266   6.7121  264.851   17.673  240.278   26.117  285.606   24.003  187.699   10.268  204.833   8.6474 -17.13412 13.42423 
1 1 1  -14    9   52 o  101.868   5.6109   71.114   7.6852   64.975   11.270   76.451   10.508   97.697   8.5122  106.039   7.3123 -8.342026 11.22173 
1 1 1  -14    9   53 o  151.741   5.0299  158.094   10.237  136.375   14.785  178.090   14.187  141.587   7.7060  161.894   6.4666 -20.30739 10.05979 
1 1 1  -14    9   54 o  198.493   6.0020  266.048   14.989  274.388   26.924  262.302   18.044  200.547   9.9070  196.438   6.7784 4.109039 12.00395 
1 1 1  -14    9   55 o  191.797   6.1132  247.318   15.064  240.547   18.441  260.896   26.114  188.060   7.2361  195.535   9.8552 -7.474884 12.22646 
1 1 1  -14    9   56 o  119.738   6.9959   98.283   10.685   99.127   13.100   96.606   18.469  120.661   8.0118  118.815   11.471 1.845535 13.99176 
1 1 1  -14    9   57 o  280.578   6.2095  523.573   22.048  572.992   39.702  501.536   26.512  289.642   10.115  271.513   7.2055 18.12796 12.41899 
1 1 1  -14    9   58 o  183.209   6.2142  218.364   14.198  255.729   26.633  203.531   16.781  193.463   10.159  172.956   7.1597 20.50716 12.42838 
1 1 1  -14    9   59 o  353.432   7.9223  850.858   37.944  850.858   37.944   0.0000   0.0000  353.432   7.9223  ?   ?       ?      ? 
1 1 1  -14    9   60 o  376.085   5.6808  963.697   28.944  932.901   40.718  995.150   41.150  369.989   8.1211  382.181   7.9455 -12.19189 11.36150 
1 1 1  -14    9   61 o  176.145   4.9935  211.204   11.907  210.894   17.224  211.488   16.480  176.003   7.2214  176.288   6.8986 -0.2844391 9.986959 
1 1 1  -14    9   62 o  136.116   5.2410  126.493   9.6344  122.100   14.072  130.369   13.218  133.852   7.7580  138.380   7.0488 -4.527985 10.48203 
1 1 1  -14    9   63 o  173.083   4.9433  204.281   11.575  197.919   16.698  210.167   16.060  170.455   7.2287  175.711   6.7448 -5.255630 9.886687 
1 1 1  -14    9   64 o  209.323   4.9077  297.652   13.902  314.060   20.325  283.228   19.056  214.722   6.9850  203.924   6.8958 10.79860 9.815380 
1 1 1  -14    9   65 o  177.721   6.0860  215.604   13.641  216.587   24.227  215.147   16.506  177.737   10.059  177.704   6.8542 0.3273010E-01 12.17192 
1 1 1  -14    9   66 o   93.272   7.7399   62.882   8.8754   52.108   15.589   68.049   10.796   86.731   13.263   99.812   7.9817 -13.08044 15.47986 
1 1 1  -14    9   67 o  138.365   5.2135  131.047   9.7452  124.946   14.136  136.574   13.453  135.238   7.7133  141.491   7.0163 -6.252701 10.42706 
1 1 1  -14    9   68 o  120.205   5.4729   99.004   8.8899   95.409   12.921  102.236   12.250  118.080   8.0748  122.329   7.3899 -4.249107 10.94589 
1 1 1  -14    9   69 o  119.529   6.3587   95.534   10.111   85.456   12.889  111.656   16.303  111.631   8.5204  127.427   9.4411 -15.79665 12.71740 
1 1 1  -14    9   70 f  107.486   8.3914   79.290   12.223   79.290   12.223   0.0000   0.0000  107.486   8.3914  ?   ?       ?      ? 
1 1 1  -14    9   71 o  200.175   6.2464  274.095   15.993  270.726   19.567  280.877   27.760  198.835   7.2619  201.515   10.165 -2.679703 12.49283 
1 1 1  -14    9   72 o  107.851   5.7207   79.730   8.3444   83.496   12.280   76.498   11.374  110.185   8.2239  105.517   7.9544 4.668037 11.44140 
1 1 1  -14    9   73 f   28.198   8.4616  -0.1822   5.8485  -5.4887   8.8856   3.8740   7.7685   25.319   11.575   31.077   12.345 -5.757805 16.92330 
1 1 1  -14    9   74 o  153.744   5.0777  162.534   10.563  159.397   15.280  165.406   14.618  152.255   7.4056  155.234   6.9491 -2.978714 10.15547 
1 1 1  -14    9   75 o   74.433   8.9376   38.037   7.9559   44.496   15.218   35.608   9.3329   77.355   15.059   71.511   9.6307 5.843918 17.87525 
1 1 1  -14    9   76 o   81.984   8.8038   51.528   8.3296   41.442   15.163   55.887   9.9685   74.135   15.588   89.834   8.1885 -15.69948 17.60767 
1 1 1  -14    9   77 o   76.768   9.9980   41.378   10.401   41.378   10.401   0.0000   0.0000   76.768   9.9980  ?   ?       ?      ? 
1 1 1  -14    9   78 o   49.864   9.9554   19.894   7.1377   11.562   12.837   23.623   8.5876   43.087   16.198   56.642   11.579 -13.55444 19.91077 
1 1 1  -14    9   79 o  130.335   6.5326  119.368   10.731  119.439   18.995  119.335   13.004  129.488   10.825  131.183   7.3153 -1.695450 13.06520 
1 1 1  -14    9   80 o   71.880   8.4790   35.102   7.7591   47.819   13.676   29.066   9.4223   81.047   12.452   62.713   11.511 18.33403 16.95791 
1 1 1  -14    9   81 o  111.697   7.1094   92.723   9.9877   77.280   16.748  101.246   12.442  102.976   12.001  120.417   7.6249 -17.44106 14.21881 
1 1 1  -14    9   82 o   78.613   8.1165   43.930   8.2162   48.587   14.250   41.612   10.056   80.883   13.001   76.343   9.7200 4.540138 16.23291 
1 1 1  -14    9   83 o  136.842   7.9325  135.633   14.645  126.278   19.617  147.413   22.013  131.749   10.987  141.935   11.445 -10.18576 15.86502 
1 1 1  -14    9   84 o   98.860   11.873   72.284   15.906   72.284   15.906   0.0000   0.0000   98.860   11.873  ?   ?       ?      ? 
1 1 1  -14    9   85 o   92.639   12.084   63.982   15.169   63.982   15.169   0.0000   0.0000   92.639   12.084  ?   ?       ?      ? 
1 1 1  -14    9   86 o   94.825   12.069   67.349   15.509   67.349   15.509   0.0000   0.0000   94.825   12.069  ?   ?       ?      ? 
1 1 1  -14    9   87 o   50.842   16.002   21.498   12.300   21.498   12.300   0.0000   0.0000   50.842   16.002  ?   ?       ?      ? 
1 1 1  -14    9   88 o   47.374   16.170   18.477   12.456   18.477   12.456   0.0000   0.0000   47.374   16.170  ?   ?       ?      ? 
1 1 1  -14   10    1 o  256.862   5.9345  437.435   18.701  424.314   22.004  471.572   35.492  250.149   6.4910  263.575   9.9368 -13.42593 11.86906 
1 1 1  -14   10    2 o  192.204   4.4329  250.274   11.541  243.568   16.021  257.506   16.638  189.531   6.2378  194.877   6.3002 -5.345932 8.865838 
1 1 1  -14   10    3 o  264.214   4.7034  473.397   16.838  482.821   23.850  464.031   23.776  266.838   6.5958  261.590   6.7071 5.247406 9.406861 
1 1 1  -14   10    4 f  513.185   6.5904  1783.25   45.779  1702.38   62.942  1874.08   66.705  500.864   9.2734  525.507   9.3670 -24.64337 13.18089 
1 1 1  -14   10    5 o  1063.93   12.054  7706.55  173.755  7577.29  242.773  7842.30  248.791  1054.81   16.984  1073.06   17.109 -18.24622 24.10782 
1 1 1  -14   10    6 o  1079.50   12.232  7934.66  178.907  8088.99  256.125  7787.60  250.011  1089.73   17.344  1069.27   17.254 20.46472 24.46447 
1 1 1  -14   10    7 o  412.002   5.7767  1148.25   32.206  1230.98   46.939  1074.67   44.269  425.986   8.1312  398.018   8.2076 27.96811 11.55344 
1 1 1  -14   10    8 o  1039.07   11.809  7351.23  166.284  7405.57  236.035  7297.69  234.298  1042.89   16.702  1035.26   16.701 7.623413 23.61898 
1 1 1  -14   10    9 o  1083.24   14.141  7985.03  179.818  7962.99  207.608  8051.22  359.780  1082.16   14.157  1084.33   24.485 -2.165649 28.28283 
1 1 1  -14   10   10 o  529.483   7.6384  1863.49   47.455  1824.96   54.527  1983.83   96.353  518.701   7.7573  540.265   13.161 -21.56366 15.27674 
1 1 1  -14   10   11 o  246.803   5.2030  422.377   15.731  435.612   18.776  391.213   28.813  253.488   5.4660  240.118   8.8547 13.37009 10.40595 
1 1 1  -14   10   12 o  218.299   4.8273  305.564   12.900  284.454   15.039  364.356   25.098  204.840   5.4177  231.758   7.9912 -26.91855 9.654632 
1 1 1  -14   10   13 o  266.357   5.2671  483.306   17.120  486.078   20.243  476.342   32.083  267.764   5.5788  264.951   8.9357 2.813690 10.53422 
1 1 1  -14   10   14 o  195.141   5.3451  258.366   13.926  258.717   18.204  257.870   21.622  195.319   6.8778  194.964   8.1840 0.3557434 10.69025 
1 1 1  -14   10   15 o  303.414   5.4901  616.570   20.141  607.214   23.556  642.005   38.837  299.265   5.8084  307.564   9.3181 -8.299377 10.98023 
1 1 1  -14   10   16 o  469.886   7.0147  1470.10   38.891  1441.41   44.824  1557.48   78.219  461.001   7.1751  478.771   12.056 -17.76984 14.02947 
1 1 1  -14   10   17 o  285.301   5.3589  546.306   18.539  539.232   21.731  565.215   35.530  282.015   5.6863  288.587   9.0851 -6.571930 10.71789 
1 1 1  -14   10   18 o  220.569   5.1072  338.523   13.861  351.345   16.625  309.292   25.104  227.648   5.3893  213.491   8.6771 14.15701 10.21449 
1 1 1  -14   10   19 o  256.752   5.1728  441.693   16.241  434.670   19.129  459.828   30.741  253.200   5.5751  260.303   8.7148 -7.103424 10.34551 
1 1 1  -14   10   20 o  261.265   5.6179  462.814   19.890  462.814   19.890   0.0000   0.0000  261.265   5.6179  ?   ?       ?      ? 
1 1 1  -14   10   21 o  484.035   7.3889  1589.38   48.467  1589.38   48.467   0.0000   0.0000  484.035   7.3889  ?   ?       ?      ? 
1 1 1  -14   10   22 o  276.746   5.4074  525.442   18.321  533.442   21.764  505.982   33.943  280.483   5.7259  273.009   9.1748 7.473389 10.81489 
1 1 1  -14   10   23 o  661.686   9.1533  2968.10   71.561  2957.59   82.863  2998.93  141.934  660.020   9.2645  663.352   15.789 -3.331665 18.30651 
1 1 1  -14   10   24 o  325.052   5.7065  706.738   22.361  694.844   26.096  739.596   43.374  320.094   6.0160  330.010   9.6988 -9.916199 11.41308 
1 1 1  -14   10   25 o  329.006   5.8011  738.184   23.186  742.657   27.340  726.725   43.755  330.914   6.0967  327.098   9.8712 3.816254 11.60217 
1 1 1  -14   10   26 o  275.897   5.8495  519.562   20.672  507.772   35.405  525.660   25.464  273.427   9.5552  278.367   6.7502 -4.940399 11.69908 
1 1 1  -14   10   27 o  654.315   9.6734  2903.03   80.708  2952.79  140.850  2878.70   98.478  657.920   15.798  650.710   11.168 7.209961 19.34674 
1 1 1  -14   10   28 o  358.392   6.4694  868.267   29.618  884.604   51.540  860.212   36.190  360.759   10.543  356.026   7.5011 4.733093 12.93876 
1 1 1  -14   10   29 o  138.542   5.8161  134.763   10.089  118.196   17.506  143.004   12.346  131.891   9.7945  145.193   6.2749 -13.30258 11.63213 
1 1 1  -14   10   30 o  262.245   6.8426  466.649   24.317  466.649   24.317   0.0000   0.0000  262.245   6.8426  ?   ?       ?      ? 
1 1 1  -14   10   31 o  304.579   4.9855  627.477   20.543  669.729   30.103  590.648   28.104  314.142   7.0712  295.016   7.0299 19.12634 9.971010 
1 1 1  -14   10   32 o  306.843   6.2904  651.492   24.422  605.706   42.266  674.440   29.922  298.446   10.451  315.240   7.0044 -16.79340 12.58075 
1 1 1  -14   10   33 o  214.554   4.6360  310.810   13.441  333.835   19.938  291.627   18.199  221.798   6.6335  207.311   6.4780 14.48766 9.271902 
1 1 1  -14   10   34 o  322.838   5.1170  706.398   22.367  735.872   32.457  679.741   30.867  329.237   7.2748  316.438   7.1982 12.79944 10.23406 
1 1 1  -14   10   35 o  101.632   5.3191   69.757   7.2919   73.932   10.960   66.441   9.7674  104.340   7.7513   98.925   7.2860 5.414413 10.63812 
1 1 1  -14   10   36 o  276.435   4.8648  518.560   18.214  523.800   26.242  513.689   25.302  277.775   6.9713  275.095   6.7871 2.680359 9.729543 
1 1 1  -14   10   37 o  293.137   4.9563  583.303   19.682  586.874   28.235  579.927   27.450  294.003   7.0868  292.271   6.9307 1.732513 9.912545 
1 1 1  -14   10   38 o  282.539   6.1556  538.885   22.014  532.269   26.650  553.098   39.063  279.986   7.0238  285.092   10.111 -5.106689 12.31121 
1 1 1  -14   10   39 o  289.951   6.2492  576.208   23.036  585.209   28.197  558.143   39.945  293.561   7.0881  286.341   10.294 7.219879 12.49846 
1 1 1  -14   10   40 o  449.319   6.1125  1372.28   37.212  1336.90   52.211  1408.80   53.049  443.427   8.6888  455.211   8.5997 -11.78421 12.22496 
1 1 1  -14   10   41 o  128.295   7.3400  111.812   12.761  111.812   12.761   0.0000   0.0000  128.295   7.3400  ?   ?       ?      ? 
1 1 1  -14   10   42 o  361.487   5.4444  888.088   26.666  882.404   37.959  893.626   37.470  360.335   7.7736  362.640   7.6247 -2.304596 10.88872 
1 1 1  -14   10   43 o  223.551   5.5456  331.531   16.247  309.711   20.238  371.080   27.247  213.527   6.9940  233.576   8.6080 -20.04807 11.09116 
1 1 1  -14   10   44 o  302.986   7.0117  624.548   28.751  639.241   41.934  611.513   39.497  306.315   10.102  299.657   9.7264 6.657379 14.02345 
1 1 1  -14   10   45 f  223.173   5.7699  335.372   16.306  348.132   28.986  329.465   19.723  226.105   9.4601  220.241   6.6085 5.864349 11.53974 
1 1 1  -14   10   46 o  180.802   4.7587  221.990   11.651  224.207   16.841  219.955   16.135  181.659   6.8411  179.944   6.6168 1.714935 9.517488 
1 1 1  -14   10   47 o  119.618   5.9561   98.415   9.4920  104.046   12.554   90.901   14.503  123.709   7.4888  115.527   9.2638 8.181602 11.91214 
1 1 1  -14   10   48 o  120.254   7.1443   96.781   11.462  108.826   18.229   88.905   14.741  126.284   10.652  114.223   9.5234 12.06137 14.28851 
1 1 1  -14   10   49 o  201.694   6.0995  287.505   15.305  249.241   26.759  306.107   18.658  191.130   10.332  212.259   6.4866 -21.12920 12.19903 
1 1 1  -14   10   50 o  198.135   4.7716  266.947   12.794  264.181   18.539  269.462   17.677  197.137   6.9398  199.133   6.5506 -1.995956 9.543109 
1 1 1  -14   10   51 o  132.653   5.0854  119.429   9.1147  122.574   13.489  116.788   12.364  134.241   7.4152  131.064   6.9614 3.176788 10.17086 
1 1 1  -14   10   52 o  240.962   4.8764  395.221   15.905  380.661   22.747  409.149   22.248  236.591   7.0947  245.334   6.6918 -8.742599 9.752728 
1 1 1  -14   10   53 o  140.690   5.1306  134.857   9.7250  132.631   14.492  136.680   13.117  139.601   7.6607  141.780   6.8270 -2.179214 10.26129 
1 1 1  -14   10   54 o   65.310   10.150   27.922   8.5897   19.600   10.677   43.191   14.462   52.550   14.514   78.069   14.193 -25.51937 20.29999 
1 1 1  -14   10   55 o  372.770   8.0814  951.317   40.820  968.042   58.125  935.041   57.339  376.010   11.407  369.531   11.450 6.479401 16.16277 
1 1 1  -14   10   56 o   57.979   10.070   28.236   8.1637   5.8466   16.305   35.727   9.4309   43.623   17.692   72.335   9.6211 -28.71190 20.13921 
1 1 1  -14   10   57 o  335.357   5.4085  766.128   24.569  743.415   34.810  788.677   34.683  330.374   7.7753  340.340   7.5202 -9.965759 10.81699 
1 1 1  -14   10   58 o  349.165   5.5173  830.858   26.098  815.659   37.149  845.669   36.671  345.982   7.9234  352.349   7.6801 -6.367157 11.03468 
1 1 1  -14   10   59 o   86.152   9.0682   55.854   8.9417   43.236   16.393   61.199   10.669   77.573   16.120   94.730   8.3107 -17.15621 18.13638 
1 1 1  -14   10   60 o  166.885   7.3472  190.663   16.598  178.972   23.228  202.863   23.728  161.622   10.605  172.148   10.171 -10.52608 14.69437 
1 1 1  -14   10   61 o  298.930   6.4708  609.097   24.693  605.700   30.191  615.961   42.917  298.110   7.4734  299.749   10.566 -1.638855 12.94153 
1 1 1  -14   10   62 o  119.605   5.5130   96.978   8.9068  106.078   13.243   89.462   12.036  124.692   7.8374  114.519   7.7554 10.17354 11.02594 
1 1 1  -14   10   63 o  105.695   5.8917   76.641   8.3482   74.058   12.651   78.633   11.111  104.040   8.9730  107.349   7.6378 -3.308411 11.78347 
1 1 1  -14   10   64 o  154.948   6.1822  159.305   12.019  177.557   22.070  151.609   14.330  160.802   10.128  149.094   7.0927 11.70854 12.36449 
1 1 1  -14   10   65 f   86.174   6.6584   51.953   7.6040   44.745   11.505   57.543   10.133   80.627   10.530   91.721   8.1521 -11.09345 13.31674 
1 1 1  -14   10   66 o  118.446   5.5074   95.996   8.8015   95.559   13.052   96.360   11.919  118.146   8.1524  118.746   7.4070 -0.6000748 11.01473 
1 1 1  -14   10   67 o  155.129   5.0694  164.789   10.633  158.717   15.376  170.355   14.721  152.331   7.4484  157.927   6.8786 -5.595428 10.13872 
1 1 1  -14   10   68 o   72.126   8.8255   37.627   8.2468   42.816   11.125   31.297   12.287   78.697   10.431   65.555   14.239 13.14147 17.65104 
1 1 1  -14   10   69 o  205.195   6.3288  292.112   16.463  296.225   20.105  283.745   28.678  208.008   7.1325  202.382   10.457 5.626022 12.65764 
1 1 1  -14   10   70 o  122.785   5.3975  103.247   8.9494  106.291   13.301  100.730   12.097  124.380   7.8917  121.190   7.3658 3.189728 10.79505 
1 1 1  -14   10   71 o  105.842   5.7601   76.500   8.2262   84.944   12.335   69.736   11.040  111.048   8.1969  100.637   8.0949 10.41035 11.52027 
1 1 1  -14   10   72 o  118.885   5.4817   96.982   8.8133  102.919   12.981   91.904   12.004  122.228   7.8369  115.543   7.6667 6.684982 10.96340 
1 1 1  -14   10   73 o   43.165   9.4858   12.614   6.1734   17.911   9.6140   8.8970   8.0530   49.267   13.833   37.063   12.984 12.20415 18.97161 
1 1 1  -14   10   74 o   65.459   9.8921   29.677   7.6505   36.979   15.221   27.209   8.8496   69.608   16.405   61.310   11.058 8.297546 19.78411 
1 1 1  -14   10   75 o   73.207   7.0895   36.953   6.9554   45.578   10.603   30.438   9.2155   80.653   9.7009   65.761   10.341 14.89115 14.17907 
1 1 1  -14   10   76 o   93.370   6.0523   61.190   7.5937   56.794   11.221   64.903   10.314   90.052   9.1955   96.688   7.8717 -6.635933 12.10458 
1 1 1  -14   10   77 o   86.673   8.4969   58.714   8.5664   44.274   14.958   65.761   10.450   76.153   15.028   97.193   7.9339 -21.03972 16.99385 
1 1 1  -14   10   78 o  116.442   6.9683  101.508   10.029   80.774   17.101  112.375   12.381  105.653   11.944  127.230   7.1809 -21.57649 13.93664 
1 1 1  -14   10   79 o   62.140   9.4705   27.295   7.3516   36.958   13.149   22.901   8.8669   69.169   14.493   55.111   12.195 14.05738 18.94107 
1 1 1  -14   10   80 o   90.145   7.4528   58.145   8.4813   59.462   15.009   57.527   10.280   89.921   12.317   90.369   8.3944 -0.4478302 14.90569 
1 1 1  -14   10   81 o   69.951   11.174   37.537   10.385   26.268   13.437   54.255   16.367   56.769   16.489   83.134   15.083 -26.36519 22.34731 
1 1 1  -14   10   82 o   84.738   10.027   55.559   11.145   56.729   14.955   54.098   16.713   87.121   12.667   82.355   15.546 4.765984 20.05312 
1 1 1  -14   10   83 o   89.416   12.364   59.801   14.981   59.801   14.981   0.0000   0.0000   89.416   12.364  ?   ?       ?      ? 
1 1 1  -14   10   84 o   77.726   13.978   47.500   14.181   47.500   14.181   0.0000   0.0000   77.726   13.978  ?   ?       ?      ? 
1 1 1  -14   10   85 o   45.035   16.188   15.856   12.589   15.856   12.589   0.0000   0.0000   45.035   16.188  ?   ?       ?      ? 
1 1 1  -14   10   86 o   52.158   16.362   23.007   12.873   23.007   12.873   0.0000   0.0000   52.158   16.362  ?   ?       ?      ? 
1 1 1  -14   10   87 o   64.793   15.417   35.046   13.340   35.046   13.340   0.0000   0.0000   64.793   15.417  ?   ?       ?      ? 
1 1 1  -14   11    1 o  300.964   9.4857  615.148   38.687   0.0000   0.0000  615.148   38.687  ?   ?   300.964   9.4857      ?      ? 
1 1 1  -14   11    2 o  112.156   5.5017   86.420   7.9986   89.181   10.040   81.623   13.234  114.665   6.4612  109.646   8.9066 5.018661 11.00344 
1 1 1  -14   11    3 f  523.166   8.1252  1874.22   54.760  1905.53   67.961  1816.24   92.464  529.719   9.4674  516.612   13.208 13.10681 16.25032 
1 1 1  -14   11    4 o  519.991   8.0960  1853.46   54.334  1890.22   67.631  1786.55   91.249  527.591   9.4595  512.392   13.141 15.19922 16.19195 
1 1 1  -14   11    5 o  214.171   5.3200  314.570   14.832  323.832   18.702  298.873   24.348  218.509   6.3159  209.833   8.5626 8.675919 10.63992 
1 1 1  -14   11    6 o  239.329   5.4630  393.782   17.000  407.907   21.445  369.891   27.890  245.234   6.4529  233.424   8.8168 11.81070 10.92596 
1 1 1  -14   11    7 f  188.452   5.1928  238.229   12.803  230.893   16.012  251.231   21.317  184.506   6.4040  192.399   8.1760 -7.893494 10.38554 
1 1 1  -14   11    8 o  232.625   5.3706  364.617   16.239  358.299   20.194  376.178   27.319  229.838   6.4836  235.412   8.5636 -5.573822 10.74114 
1 1 1  -14   11    9 o  209.621   5.3237  298.089   14.569  297.929   18.294  298.366   24.088  209.584   6.4411  209.659   8.4783 -0.7498169E-01 10.64749 
1 1 1  -14   11   10 o  512.018   9.3517  1784.92   64.855  1742.57   92.416  1826.01   91.037  505.988   13.478  518.048   12.968 -12.05936 18.70337 
1 1 1  -14   11   11 o  512.333   9.3552  1786.86   64.915  1767.55   93.075  1805.16   90.584  509.594   13.478  515.072   12.978 -5.477295 18.71036 
1 1 1  -14   11   12 o  114.395   5.6538   89.963   8.5712   95.081   11.208   82.752   13.302  118.387   6.9863  110.403   8.8911 7.984169 11.30755 
1 1 1  -14   11   13 o  305.342   5.8929  623.652   23.262  603.292   28.641  663.116   39.875  298.201   7.0876  312.483   9.4166 -14.28253 11.78586 
1 1 1  -14   11   14 o  216.263   5.4170  321.428   15.361  334.646   19.632  300.563   24.666  222.115   6.5225  210.412   8.6507 11.70233 10.83407 
1 1 1  -14   11   15 o  335.061   6.1436  746.660   26.510  714.523   32.427  811.424   46.033  324.505   7.3741  345.618   9.8285 -21.11313 12.28724 
1 1 1  -14   11   16 o  522.512   8.0723  1815.64   53.575  1744.03   64.671  1972.29   95.654  506.741   9.4176  538.284   13.113 -31.54330 16.14461 
1 1 1  -14   11   17 o  272.879   5.6579  485.364   19.911  444.766   24.221  569.973   34.966  256.036   6.9808  289.722   8.9060 -33.68610 11.31585 
1 1 1  -14   11   18 o  506.297   9.2891  1741.03   63.732  1741.03   63.732   0.0000   0.0000  506.297   9.2891  ?   ?       ?      ? 
1 1 1  -14   11   19 o  227.766   5.2218  359.172   14.636  369.681   17.513  334.840   26.649  233.479   5.5353  222.054   8.8560 11.42529 10.44357 
1 1 1  -14   11   20 o  231.284   5.0223  351.795   14.244  337.668   16.717  389.223   27.210  223.139   5.5284  239.430   8.3863 -16.29106 10.04462 
1 1 1  -14   11   21 o  344.992   5.8752  796.040   24.291  782.658   28.253  833.973   47.566  339.676   6.1378  350.307   10.020 -10.63098 11.75044 
1 1 1  -14   11   22 o  245.940   5.1382  400.366   15.416  387.902   18.066  433.753   29.567  239.154   5.5744  252.725   8.6332 -13.57144 10.27649 
1 1 1  -14   11   23 o  307.318   5.5865  633.344   20.715  624.192   24.202  658.415   40.057  303.351   5.8875  311.284   9.4960 -7.933197 11.17305 
1 1 1  -14   11   24 o  202.385   4.9990  275.448   12.570  271.727   14.979  284.306   23.109  200.159   5.5224  204.611   8.3344 -4.451706 9.997971 
1 1 1  -14   11   25 o  184.546   5.0585  235.372   11.636  242.319   14.057  220.249   20.740  189.016   5.4880  180.077   8.4991 8.939636 10.11694 
1 1 1  -14   11   26 o  341.471   6.0030  818.081   24.981  855.102   29.836  731.289   45.684  355.014   6.2018  327.929   10.280 27.08524 12.00600 
1 1 1  -14   11   27 o  179.779   4.9135  211.915   11.105  200.402   13.242  239.203   20.386  171.880   5.6851  187.678   8.0156 -15.79747 9.826991 
1 1 1  -14   11   28 o  362.108   6.0409  870.112   26.138  847.912   30.290  934.834   51.719  353.493   6.3232  370.723   10.295 -17.22946 12.08174 
1 1 1  -14   11   29 o  159.124   6.4597  173.388   13.676  164.924   21.189  179.431   17.904  155.718   10.041  162.529   8.1291 -6.810776 12.91939 
1 1 1  -14   11   30 o  275.614   6.0419  513.849   20.852  522.240   37.657  510.138   25.042  277.082   10.029  274.147   6.7406 2.935333 12.08370 
1 1 1  -14   11   31 o  201.194   4.5909  275.313   12.490  262.449   17.980  287.307   17.362  196.629   6.7479  205.759   6.2267 -9.129333 9.181813 
1 1 1  -14   11   32 o  139.951   4.7897  132.028   9.0483  143.899   13.545  122.461   12.160  145.589   6.8654  134.314   6.6806 11.27525 9.579314 
1 1 1  -14   11   33 o  264.004   4.8158  472.867   17.217  481.400   24.907  465.058   23.825  266.277   6.9024  261.732   6.7174 4.544556 9.631505 
1 1 1  -14   11   34 o  324.505   5.1543  715.304   22.657  690.357   31.979  740.447   32.105  318.811   7.4020  330.199   7.1748 -11.38760 10.30859 
1 1 1  -14   11   35 o  106.078   5.2849   76.287   7.5481   77.745   11.385   75.143   10.082  106.966   7.8546  105.189   7.0730 1.777374 10.56982 
1 1 1  -14   11   36 o  179.505   5.8902  217.093   13.474  213.404   16.396  224.765   23.647  177.274   6.8253  181.736   9.6016 -4.461609 11.78032 
1 1 1  -14   11   37 o  170.649   4.6833  197.543   10.813  201.077   15.802  194.431   14.828  172.074   6.7768  169.224   6.4659 2.850708 9.366607 
1 1 1  -14   11   38 o  226.019   4.7643  346.706   14.584  353.255   21.055  340.666   20.220  228.064   6.8128  223.975   6.6619 4.089188 9.528595 
1 1 1  -14   11   39 o  114.478   6.8269   87.120   10.458  103.732   16.438   75.825   13.555  123.418   9.8287  105.537   9.4776 17.88058 13.65389 
1 1 1  -14   11   40 o  255.677   5.8178  434.263   18.846  473.411   33.838  416.660   22.691  263.684   9.4698  247.671   6.7608 16.01389 11.63550 
1 1 1  -14   11   41 o  203.753   4.7289  281.866   13.039  284.504   18.993  279.514   17.931  204.642   6.8489  202.864   6.5225 1.777466 9.457882 
1 1 1  -14   11   42 o  346.797   5.3744  817.235   25.246  830.800   36.355  804.602   35.086  349.563   7.6747  344.030   7.5257 5.532898 10.74885 
1 1 1  -14   11   43 o  282.475   5.8860  525.223   21.538  486.642   26.382  602.316   37.294  267.568   7.2760  297.382   9.2541 -29.81357 11.77197 
1 1 1  -14   11   44 o   88.668   6.8975   53.161   8.2063   43.538   11.120   64.672   12.161   79.897   10.270   97.439   9.2099 -17.54207 13.79500 
1 1 1  -14   11   45 o   65.744   7.3486   29.376   6.4851   30.307   9.9414   28.686   8.5564   66.619   11.012   64.869   9.7336 1.750252 14.69722 
1 1 1  -14   11   46 o  147.486   6.1356  146.945   11.148  150.978   20.764  145.312   13.213  148.745   10.301  146.227   6.6681 2.517426 12.27124 
1 1 1  -14   11   47 o  124.679   6.6004  106.958   10.043  103.652   18.721  108.293   11.901  123.148   11.218  126.211   6.9580 -3.063278 13.20078 
1 1 1  -14   11   48 o  201.971   6.9677  277.357   19.071  277.357   19.071   0.0000   0.0000  201.971   6.9677  ?   ?       ?      ? 
1 1 1  -14   11   49 f  282.415   5.0504  542.611   19.318  537.370   27.706  547.569   26.948  281.068   7.2742  283.762   7.0080 -2.694427 10.10082 
1 1 1  -14   11   50 o  186.686   4.8651  236.011   12.274  250.032   18.200  224.313   16.624  191.738   7.0044  181.633   6.7538 10.10504 9.730116 
1 1 1  -14   11   51 o  148.664   5.0888  151.128   10.187  141.989   14.992  158.969   13.886  144.427   7.6598  152.902   6.7017 -8.474808 10.17769 
1 1 1  -14   11   52 o  200.331   7.3371  273.869   19.879  299.222   28.695  250.473   27.565  209.274   10.118  191.388   10.628 17.88649 14.67427 
1 1 1  -14   11   53 o  161.152   7.4461  177.676   16.244  175.916   23.441  179.302   22.532  160.347   10.788  161.957   10.266 -1.609909 14.89225 
1 1 1  -14   11   54 o  148.768   5.1394  151.031   10.301  146.794   15.294  154.551   13.937  146.813   7.6871  150.723   6.8236 -3.910721 10.27880 
1 1 1  -14   11   55 o  168.878   4.9860  192.737   11.365  209.982   17.021  178.861   15.268  175.636   7.1513  162.120   6.9496 13.51611 9.971919 
1 1 1  -14   11   56 o  245.931   4.9995  412.241   16.640  398.315   23.880  425.386   23.200  241.853   7.2863  250.009   6.8477 -8.156418 9.999063 
1 1 1  -14   11   57 o  169.511   4.9888  195.829   11.421  193.431   16.805  197.888   15.568  168.509   7.3594  170.513   6.7374 -2.004105 9.977628 
1 1 1  -14   11   58 f  154.862   5.0939  164.399   10.614  152.387   15.602  174.749   14.482  149.503   7.7008  160.221   6.6701 -10.71790 10.18781 
1 1 1  -14   11   59 o  237.711   4.9541  384.688   15.935  389.910   23.241  380.054   21.892  239.202   7.1697  236.220   6.8387 2.982071 9.908237 
1 1 1  -14   11   60 o  176.884   4.9823  211.130   11.882  236.483   17.916  191.224   15.875  186.261   7.0980  167.507   6.9937 18.75447 9.964613 
1 1 1  -14   11   61 o  112.069   5.8569   86.713   8.7414   80.623   13.398   91.227   11.535  108.505   9.1119  115.632   7.3610 -7.127663 11.71372 
1 1 1  -14   11   62 o  146.829   6.7113  157.322   11.920  125.658   21.276  171.806   14.390  134.916   11.637  158.743   6.6893 -23.82684 13.42260 
1 1 1  -14   11   63 o  126.096   5.5053  109.887   9.2963   98.623   13.780  119.297   12.594  119.995   8.4740  132.197   7.0303 -12.20102 11.01058 
1 1 1  -14   11   64 f   34.727   9.2560   5.7870   6.2336  -0.0239   9.6715   9.9164   8.1530   30.600   13.097   38.853   13.082 -8.253410 18.51192 
1 1 1  -14   11   65 o   61.530   9.4240   21.880   7.6260   45.747   14.107   12.025   9.0647   80.975   12.856   42.086   13.783 38.88976 18.84796 
1 1 1  -14   11   66 o  114.810   11.614   91.676   18.070   91.676   18.070   0.0000   0.0000  114.810   11.614  ?   ?       ?      ? 
1 1 1  -14   11   67 f   83.088   9.5627   50.836   9.4926   53.239   11.439   45.524   17.011   87.775   9.6173   78.401   16.531 9.373398 19.12537 
1 1 1  -14   11   68 o  153.038   5.0869  160.819   10.527  157.096   15.288  164.177   14.517  151.282   7.4573  154.793   6.9205 -3.510330 10.17374 
1 1 1  -14   11   69 o   61.592   8.4940   29.447   6.7882   15.545   10.193   40.529   9.1001   46.598   14.550   76.586   8.7682 -29.98823 16.98791 
1 1 1  -14   11   70 o  122.006   5.4088  102.944   8.8955   97.418   13.043  107.751   12.164  118.812   8.1008  125.200   7.1693 -6.388954 10.81763 
1 1 1  -14   11   71 o  176.347   4.9954  214.169   11.915  210.386   17.301  217.582   16.434  174.772   7.3050  177.923   6.8158 -3.151169 9.990867 
1 1 1  -14   11   72 o  111.689   6.9940   85.951   9.7166   90.872   17.860   83.882   11.580  113.233   11.639  110.145   7.7584 3.088547 13.98802 
1 1 1  -14   11   73 o   49.865   8.8592   21.440   7.1875  -2.9000   13.813   30.479   8.4169   33.739   15.012   65.991   9.4120 -32.25225 17.71842 
1 1 1  -14   11   74 o  114.227   5.5015   90.447   8.4913   92.314   12.543   88.867   11.537  115.223   8.0333  113.230   7.5186 1.992561 11.00290 
1 1 1  -14   11   75 o   94.289   7.4826   64.509   8.7325   59.767   15.590   66.677   10.541   90.740   12.678   97.838   7.9507 -7.098038 14.96517 
1 1 1  -14   11   76 o   85.959   7.7894   53.788   8.3940   50.676   14.710   55.291   10.221   83.121   13.059   88.797   8.4943 -5.676056 15.57878 
1 1 1  -14   11   77 o  103.217   7.1915   76.939   9.3255   73.646   16.365   78.522   11.348  100.509   12.015  105.924   7.9059 -5.414612 14.38304 
1 1 1  -14   11   78 o   68.278   8.9136   32.995   7.5780   40.798   13.662   29.527   9.1074   72.512   14.411   64.043   10.494 8.468788 17.82721 
1 1 1  -14   11   79 o   59.223   11.281   28.886   9.9288   40.409   13.670   16.018   14.445   71.821   14.544   46.626   17.250 25.19544 22.56296 
1 1 1  -14   11   80 o   51.709   11.938   21.512   9.5667   19.221   12.737   24.478   14.491   49.081   16.351   54.337   17.398 -5.256573 23.87533 
1 1 1  -14   11   81 o   69.400   11.524   39.009   10.587   34.192   13.964   45.519   16.234   64.489   16.045   74.311   16.546 -9.821953 23.04748 
1 1 1  -14   11   82 o   86.718   12.905   57.024   15.165   57.024   15.165   0.0000   0.0000   86.718   12.905  ?   ?       ?      ? 
1 1 1  -14   11   83 o   47.794   16.384   18.602   12.790   18.602   12.790   0.0000   0.0000   47.794   16.384  ?   ?       ?      ? 
1 1 1  -14   11   84 o   49.490   16.293   20.445   12.660   20.445   12.660   0.0000   0.0000   49.490   16.293  ?   ?       ?      ? 
1 1 1  -14   11   85 o   51.521   16.282   22.611   12.723   22.611   12.723   0.0000   0.0000   51.521   16.282  ?   ?       ?      ? 
1 1 1  -14   11   86 o   40.458   15.648   11.801   12.203   11.801   12.203   0.0000   0.0000   40.458   15.648  ?   ?       ?      ? 
1 1 1  -14   12    1 o  259.310   4.7203  456.212   16.577  453.616   23.013  459.012   23.899  258.549   6.5681  260.070   6.7813 -1.520630 9.440639 
1 1 1  -14   12    2 o  116.523   4.8048   92.557   7.5404   96.645   10.255   87.747   11.125  119.348   6.3409  113.698   7.2205 5.649887 9.609562 
1 1 1  -14   12    3 o  127.492   4.6999  109.816   8.0984  103.901   10.974  116.891   12.001  123.742   6.5443  131.243   6.7476 -7.501411 9.399840 
1 1 1  -14   12    4 o  162.132   4.5009  178.565   9.8755  183.507   13.737  173.278   14.207  164.464   6.1636  159.801   6.5607 4.663132 9.001793 
1 1 1  -14   12    5 o  243.260   4.6742  401.636   15.401  404.763   21.501  398.341   22.072  244.239   6.4963  242.281   6.7225 1.957367 9.348487 
1 1 1  -14   12    6 o  290.834   7.0158  574.069   27.651   0.0000   0.0000  574.069   27.651  ?   ?   290.834   7.0158      ?      ? 
1 1 1  -14   12    7 o   96.597   7.4820   65.992   8.5448   58.215   16.331   68.924   10.027   92.428   13.039  100.766   7.3429 -8.338036 14.96402 
1 1 1  -14   12    8 o  274.715   10.128  513.117   37.704  513.117   37.704   0.0000   0.0000  274.715   10.128  ?   ?       ?      ? 
1 1 1  -14   12    9 o  241.610   4.6936  395.711   15.358  384.455   21.274  407.963   22.195  238.028   6.5953  245.192   6.6799 -7.164688 9.387161 
1 1 1  -14   12   10 o  151.131   5.1019  159.529   9.4532  166.151   11.323  144.294   17.175  156.518   5.3382  145.744   8.6961 10.77425 10.20385 
1 1 1  -14   12   11 o  131.817   5.0605  117.513   8.2889  116.880   9.8984  119.001   15.164  131.270   5.5644  132.364   8.4542 -1.094711 10.12109 
1 1 1  -14   12   12 o  126.285   5.2214  112.000   8.1304  117.921   9.8094   99.006   14.532  131.854   5.4899  120.716   8.8833 11.13776 10.44279 
1 1 1  -14   12   13 o  273.624   5.3434  501.415   17.618  493.469   20.561  523.362   34.173  269.722   5.6254  277.526   9.0864 -7.804871 10.68682 
1 1 1  -14   12   14 o  208.860   5.4231  295.876   15.349  295.876   15.349   0.0000   0.0000  208.860   5.4231  ?   ?       ?      ? 
1 1 1  -14   12   15 o  519.887   7.7662  1835.26   54.714  1835.26   54.714   0.0000   0.0000  519.887   7.7662  ?   ?       ?      ? 
1 1 1  -14   12   16 o  150.599   5.0128  152.108   9.4182  149.317   11.247  158.658   17.231  148.366   5.5939  152.832   8.3198 -4.466278 10.02551 
1 1 1  -14   12   17 o  184.544   4.9509  226.563   11.270  220.338   13.318  242.266   21.153  180.233   5.4527  188.856   8.2652 -8.623001 9.901781 
1 1 1  -14   12   18 o  172.733   5.0252  205.507   10.749  210.047   12.894  195.167   19.459  175.973   5.4072  169.493   8.4719 6.480652 10.05042 
1 1 1  -14   12   19 o  163.077   4.8550  173.596   9.8877  163.607   11.720  198.263   18.417  155.300   5.5690  170.855   7.9543 -15.55547 9.710007 
1 1 1  -14   12   20 o   68.976   6.4901   30.989   5.9101   26.689   7.4050   38.536   9.8094   62.669   8.7194   75.282   9.6154 -12.61256 12.98012 
1 1 1  -14   12   21 o  114.007   5.3364   87.763   7.7832   86.764   9.5195   89.777   13.517  113.075   6.2125  114.939   8.6784 -1.864632 10.67286 
1 1 1  -14   12   22 o  243.753   5.2515  402.007   15.649  400.099   18.478  406.846   29.428  242.848   5.6148  244.658   8.8762 -1.809296 10.50299 
1 1 1  -14   12   23 o  289.951   5.5217  566.324   19.430  560.519   22.806  581.697   37.112  287.420   5.8553  292.483   9.3634 -5.063110 11.04341 
1 1 1  -14   12   24 o  424.640   6.6530  1200.00   33.481  1173.14   38.656  1280.67   66.983  415.694   6.8621  433.586   11.400 -17.89124 13.30596 
1 1 1  -14   12   25 o  263.782   5.4511  482.692   17.642  497.217   21.075  448.673   32.253  270.703   5.7449  256.862   9.2658 13.84134 10.90227 
1 1 1  -14   12   26 o  267.701   5.4209  484.151   17.777  480.630   21.008  493.031   33.365  266.140   5.8248  269.261   9.1441 -3.121826 10.84170 
1 1 1  -14   12   27 o  395.802   6.8933  1067.82   35.549  1072.79   44.588  1059.14   58.895  397.301   8.2816  394.303   11.022 2.997192 13.78666 
1 1 1  -14   12   28 f  128.431   5.3948  114.370   8.8648  119.578   11.011  104.775   14.945  132.733   6.1215  124.129   8.8849 8.604462 10.78952 
1 1 1  -14   12   29 o  108.643   5.8764   85.073   8.0062   96.062   10.033   65.810   13.284  118.962   6.2238   98.324   9.9695 20.63744 11.75275 
1 1 1  -14   12   30 o  222.121   5.2242  336.795   14.322  339.138   17.072  331.228   26.313  223.553   5.6353  220.689   8.7985 2.863998 10.44846 
1 1 1  -14   12   31 o  316.536   5.8442  695.963   22.571  716.442   26.860  646.752   41.638  324.874   6.1011  308.198   9.9696 16.67657 11.68831 
1 1 1  -14   12   32 o  151.932   5.2439  158.148   10.100  160.618   12.329  153.108   17.610  153.828   5.9144  150.037   8.6611 3.791321 10.48782 
1 1 1  -14   12   33 o  269.365   6.1669  495.372   21.145  498.870   25.856  488.307   36.742  270.992   7.0407  267.738   10.127 3.253418 12.33379 
1 1 1  -14   12   34 f  312.427   7.4928  663.372   31.723  663.372   31.723   0.0000   0.0000  312.427   7.4928  ?   ?       ?      ? 
1 1 1  -14   12   35 o  121.997   6.6090  108.502   9.7032   84.871   17.380  119.202   11.696  111.512   11.501  132.482   6.5145 -20.97037 13.21809 
1 1 1  -14   12   36 o  269.603   4.9022  494.290   17.893  480.232   25.636  507.643   24.985  265.842   7.1161  273.364   6.7446 -7.521606 9.804486 
1 1 1  -14   12   37 o  212.712   4.7403  306.630   13.641  319.901   20.013  295.115   18.642  216.991   6.8060  208.432   6.6001 8.558853 9.480684 
1 1 1  -14   12   38 o  356.426   6.5131  857.230   30.023  839.131   37.079  891.683   51.159  351.272   7.7893  361.579   10.441 -10.30667 13.02626 
1 1 1  -14   12   39 o  338.883   6.3957  785.193   28.189  793.356   35.329  770.891   46.765  341.564   7.6327  336.202   10.264 5.361298 12.79133 
1 1 1  -14   12   40 o  188.020   5.6539  242.071   14.071  248.169   18.184  232.969   22.215  191.079   7.0225  184.962   8.8629 6.116913 11.30782 
1 1 1  -14   12   41 o  192.546   4.7685  251.406   12.419  260.576   18.242  243.484   16.955  195.800   6.8750  189.292   6.6097 6.507980 9.537009 
1 1 1  -14   12   42 f  204.562   4.7952  283.932   13.271  292.603   19.433  276.354   18.168  207.471   6.9120  201.653   6.6483 5.818542 9.590375 
1 1 1  -14   12   43 o  230.354   4.8499  360.963   15.115  356.182   21.923  365.295   20.868  228.876   7.0684  231.833   6.6425 -2.956665 9.699750 
1 1 1  -14   12   44 o  155.928   6.3692  171.516   12.108  152.056   22.060  179.905   14.484  149.164   10.914  162.693   6.5698 -13.52927 12.73849 
1 1 1  -14   12   45 o  184.283   4.9737  230.417   12.349  235.798   18.578  226.157   16.530  186.174   7.3637  182.393   6.6878 3.781357 9.947401 
1 1 1  -14   12   46 o  532.101   6.9242  1930.60   49.898  1985.90   72.132  1879.85   69.098  539.370   9.8686  524.832   9.7154 14.53857 13.84840 
1 1 1  -14   12   47 o  224.412   4.9052  342.737   14.875  339.587   21.820  345.472   20.330  223.414   7.2073  225.409   6.6557 -1.995163 9.810330 
1 1 1  -14   12   48 o  190.689   6.3256  250.480   14.779  242.060   27.347  253.953   17.565  188.133   10.727  193.245   6.7074 -5.111847 12.65117 
1 1 1  -14   12   49 o  145.726   6.6977  143.978   11.766  147.151   22.672  142.808   13.764  146.572   11.414  144.880   7.0106 1.692062 13.39539 
1 1 1  -14   12   50 o  141.896   7.6380  138.361   14.599  121.341   20.678  155.276   20.614  133.070   11.467  150.723   10.093 -17.65251 15.27590 
1 1 1  -14   12   51 o  132.018   5.3681  118.913   9.5513  116.506   14.190  120.907   12.915  130.756   8.0085  133.279   7.1505 -2.523804 10.73622 
1 1 1  -14   12   52 o  239.980   4.9636  391.916   16.120  393.497   23.432  390.495   22.213  240.413   7.1922  239.548   6.8427 0.8648224 9.927239 
1 1 1  -14   12   53 o  198.693   4.8778  267.635   13.096  282.618   19.441  255.190   17.718  203.744   7.0414  193.642   6.7520 10.10185 9.755569 
1 1 1  -14   12   54 o  154.959   5.0350  163.164   10.522  167.226   15.751  159.891   14.141  156.663   7.4193  153.255   6.8088 3.407410 10.07009 
1 1 1  -14   12   55 o  213.134   4.8968  307.720   14.100  330.636   20.972  288.820   19.046  220.320   7.0243  205.948   6.8245 14.37236 9.793595 
1 1 1  -14   12   56 o  131.127   5.2875  115.679   9.3275  130.945   14.274  104.302   12.322  138.563   7.6017  123.691   7.3514 14.87132 10.57494 
1 1 1  -14   12   57 o  198.113   4.9500  267.755   13.240  264.658   19.524  270.392   18.014  196.998   7.3136  199.229   6.6724 -2.230301 9.899948 
1 1 1  -14   12   58 o  191.005   4.9771  247.448   12.826  262.572   19.255  235.385   17.196  196.187   7.2424  185.823   6.8290 10.36417 9.954286 
1 1 1  -14   12   59 o   72.574   9.3739   37.260   7.9453   37.166   15.415   37.294   9.2718   71.403   16.291   73.745   9.2778 -2.342529 18.74777 
1 1 1  -14   12   60 o  254.870   6.1316  434.797   19.558  472.311   35.873  418.929   23.330  261.994   10.104  247.745   6.9492 14.24924 12.26313 
1 1 1  -14   12   61 o  124.981   5.5154  108.084   9.2106   98.246   13.842  115.899   12.338  119.699   8.5337  130.263   6.9897 -10.56451 11.03084 
1 1 1  -14   12   62 o  140.156   5.2442  134.330   9.9186  135.283   14.738  133.541   13.410  140.550   7.7379  139.763   7.0803 0.7869415 10.48834 
1 1 1  -14   12   63 o   81.270   8.4285   48.364   8.6391   60.697   11.832   34.284   12.643   93.860   9.3027   68.679   14.058 25.18128 16.85690 
1 1 1  -14   12   64 o   69.425   8.9195   33.802   8.1198   25.885   10.865   43.819   12.221   59.509   13.749   79.341   11.366 -19.83158 17.83900 
1 1 1  -14   12   65 o   92.098   7.9602   57.875   9.5193   54.869   11.748   63.624   16.244   89.020   9.7384   95.177   12.595 -6.157120 15.92042 
1 1 1  -14   12   66 o  130.943   5.3531  117.871   9.4684  117.609   13.948  118.094   12.895  130.732   7.8731  131.153   7.2552 -0.4212341 10.70625 
1 1 1  -14   12   67 o   90.483   6.3067   56.190   7.6927   61.611   11.629   51.973   10.258   94.289   9.1013   86.678   8.7329 7.611145 12.61334 
1 1 1  -14   12   68 o   79.279   6.8052   43.204   7.2634   49.905   11.009   38.039   9.6655   84.657   9.5964   73.900   9.6516 10.75765 13.61045 
1 1 1  -14   12   69 o  102.142   6.0550   73.793   8.2072   60.250   12.036   85.563   11.220   92.915   9.5591  111.368   7.4346 -18.45375 12.10993 
1 1 1  -14   12   70 o   57.483   9.2213   30.226   7.7667   2.8477   14.573   41.086   9.1788   38.157   16.198   76.808   8.8185 -38.65073 18.44258 
1 1 1  -14   12   71 o  133.311   7.4457  123.024   13.451   0.0000   0.0000  123.024   13.451  ?   ?   133.311   7.4457      ?      ? 
1 1 1  -14   12   72 o  113.281   7.3017   83.347   10.559   69.922   12.613  114.798   19.305   99.756   9.3301  126.806   11.234 -27.04996 14.60330 
1 1 1  -14   12   73 o   64.176   10.042   32.412   8.1530   26.907   14.509   34.953   9.8564   58.254   17.195   70.099   10.376 -11.84515 20.08334 
1 1 1  -14   12   74 o   58.039   9.5786   28.994   7.4565   14.277   13.588   35.335   8.9195   45.386   16.742   70.692   9.3107 -25.30651 19.15726 
1 1 1  -14   12   75 o   48.558   10.263   14.769   6.8891   28.790   13.117   9.4285   8.0955   60.091   15.872   37.025   13.016 23.06630 20.52591 
1 1 1  -14   12   76 o   65.752   9.0777   27.671   7.4692   49.293   14.102   19.240   8.8059   81.511   12.766   49.993   12.909 31.51824 18.15544 
1 1 1  -14   12   77 o   39.358   9.8326   11.204   6.7695   4.1163   11.989   14.522   8.2020   35.189   14.801   43.527   12.949 -8.338509 19.66525 
1 1 1  -14   12   78 o   80.681   10.333   50.772   11.024   50.685   15.034   50.873   16.215   81.689   13.581   79.674   15.576 2.014870 20.66528 
1 1 1  -14   12   79 o   34.471   10.582   1.7834   9.0571  -0.0904   11.859   4.4067   14.031   31.921   14.070   37.021   15.809 -5.100084 21.16321 
1 1 1  -14   12   80 o   45.736   16.233   16.406   12.620   16.406   12.620   0.0000   0.0000   45.736   16.233  ?   ?       ?      ? 
1 1 1  -14   12   81 o   69.240   15.330   39.256   14.005   39.256   14.005   0.0000   0.0000   69.240   15.330  ?   ?       ?      ? 
1 1 1  -14   12   82 o   94.740   12.510   68.359   16.062   68.359   16.062   0.0000   0.0000   94.740   12.510  ?   ?       ?      ? 
1 1 1  -14   12   83 o   56.102   16.679   27.275   13.612   27.275   13.612   0.0000   0.0000   56.102   16.679  ?   ?       ?      ? 
1 1 1  -14   12   84 o   46.841   16.549   18.477   13.102   18.477   13.102   0.0000   0.0000   46.841   16.549  ?   ?       ?      ? 
1 1 1  -14   13    1 o  113.435   5.0182   86.213   7.6614   75.307   10.197  100.351   11.610  105.305   7.1455  121.564   7.0477 -16.25900 10.03631 
1 1 1  -14   13    2 o  301.759   6.3510  624.183   24.358  604.565   42.257  633.946   29.809  297.987   10.464  305.530   7.1997 -7.542328 12.70197 
1 1 1  -14   13    3 o  225.761   5.9657  345.492   16.996  348.973   30.214  343.881   20.556  226.463   9.8454  225.058   6.7400 1.404938 11.93147 
1 1 1  -14   13    4 o  137.503   4.7211  129.062   8.7486  139.887   12.128  117.321   12.632  143.563   6.2342  131.442   7.0915 12.12122 9.442183 
1 1 1  -14   13    5 o   99.965   5.2966   67.208   7.1296   57.746   9.6050   78.819   10.640   92.199   7.6875  107.730   7.2881 -15.53101 10.59313 
1 1 1  -14   13    6 o  322.739   5.1809  704.605   22.612  662.686   30.803  753.589   33.298  312.376   7.2767  333.102   7.3766 -20.72598 10.36171 
1 1 1  -14   13    7 o  281.971   4.9270  538.852   18.807  518.127   25.883  562.032   27.373  276.243   6.9142  287.700   7.0211 -11.45709 9.853999 
1 1 1  -14   13    8 o  332.703   5.2288  750.961   23.559  729.746   32.597  774.162   34.087  327.794   7.3382  337.611   7.4506 -9.816071 10.45755 
1 1 1  -14   13    9 o   95.730   5.3782   62.183   6.9669   61.076   9.5624   63.435   10.171   94.828   7.4413   96.631   7.7672 -1.803642 10.75648 
1 1 1  -14   13   10 o  121.212   5.4981  102.087   8.0938  105.130   9.6038   94.629   15.037  124.474   5.6935  117.950   9.4074 6.524330 10.99612 
1 1 1  -14   13   11 o  224.442   5.4673  341.766   16.629  341.766   16.629   0.0000   0.0000  224.442   5.4673  ?   ?       ?      ? 
1 1 1  -14   13   12 o  307.688   5.8757  642.445   24.499  642.445   24.499   0.0000   0.0000  307.688   5.8757  ?   ?       ?      ? 
1 1 1  -14   13   13 o  114.500   5.3207   88.731   7.6287   88.211   9.1644   89.904   13.767  114.011   5.9317  114.990   8.8348 -0.9796143 10.64139 
1 1 1  -14   13   14 o  194.139   5.0692  256.697   11.999  257.652   14.174  254.279   22.542  194.877   5.3673  193.402   8.6011 1.475067 10.13837 
1 1 1  -14   13   15 o  195.257   5.1258  261.222   12.234  264.309   14.506  253.617   22.769  197.375   5.4234  193.139   8.6995 4.235199 10.25152 
1 1 1  -14   13   16 f  230.883   5.1430  350.387   14.401  336.797   16.786  388.268   28.025  222.793   5.5599  238.973   8.6539 -16.17969 10.28605 
1 1 1  -14   13   17 o  235.189   5.1598  363.622   14.730  349.463   17.179  402.933   28.625  226.940   5.5859  243.437   8.6770 -16.49657 10.31954 
1 1 1  -14   13   18 o   94.518   5.8521   62.535   6.9903   66.190   8.6149   55.491   11.960   98.741   6.4383   90.296   9.7744 8.445839 11.70425 
1 1 1  -14   13   19 o  365.192   6.1550  901.036   26.903  894.476   31.341  919.404   52.440  362.986   6.3715  367.399   10.533 -4.412262 12.31003 
1 1 1  -14   13   20 o  206.646   5.0858  283.115   12.924  274.019   15.225  306.573   24.451  200.950   5.5910  212.343   8.4971 -11.39278 10.17151 
1 1 1  -14   13   21 o  212.380   5.1359  301.371   13.409  294.687   15.828  318.370   25.240  208.387   5.6048  216.374   8.6079 -7.986862 10.27182 
1 1 1  -14   13   22 o  348.681   6.0211  819.963   25.212  812.217   29.413  841.420   48.953  345.888   6.2752  351.474   10.278 -5.586273 12.04215 
1 1 1  -14   13   23 o  479.068   7.3426  1594.00   42.418  1632.41   50.044  1495.96   79.942  490.135   7.5344  468.000   12.605 22.13495 14.68517 
1 1 1  -14   13   24 o  354.899   6.5394  839.792   30.105  800.006   37.109  916.386   51.489  343.051   7.9825  366.746   10.360 -23.69528 13.07870 
1 1 1  -14   13   25 o  151.702   5.3035  156.465   10.189  156.596   12.380  156.189   17.939  151.880   6.0152  151.524   8.7366 0.3566437 10.60710 
1 1 1  -14   13   26 o  205.689   5.1182  278.109   13.020  265.505   15.356  310.333   24.554  197.778   5.7296  213.601   8.4828 -15.82243 10.23649 
1 1 1  -14   13   27 o  197.252   5.1849  264.748   12.705  265.267   15.199  263.544   23.151  197.689   5.6734  196.815   8.6801 0.8745270 10.36976 
1 1 1  -14   13   28 o  117.036   5.7917   97.771   8.4999  107.333   10.538   79.965   14.380  125.726   6.1851  108.346   9.7939 17.38014 11.58341 
1 1 1  -14   13   29 o  170.573   5.5066  198.116   12.420  199.188   15.935  196.458   19.825  171.227   6.8677  169.919   8.6096 1.307938 11.01320 
1 1 1  -14   13   30 o   89.354   11.882   54.544   14.388   54.544   14.388   0.0000   0.0000   89.354   11.882  ?   ?       ?      ? 
1 1 1  -14   13   31 o  148.474   7.0991  149.816   14.283  149.816   14.283   0.0000   0.0000  148.474   7.0991  ?   ?       ?      ? 
1 1 1  -14   13   32 o  240.455   5.6957  395.738   17.926  402.974   22.706  383.766   29.206  243.520   6.8804  237.391   9.0788 6.128479 11.39142 
1 1 1  -14   13   33 o   80.442   7.1725   43.560   7.6233   31.480   10.194   58.886   11.482   67.901   11.079   92.983   9.1125 -25.08187 14.34507 
1 1 1  -14   13   34 o  178.550   5.2808  219.176   11.904  223.556   14.496  210.105   20.860  181.440   5.8955  175.660   8.7631 5.779587 10.56167 
1 1 1  -14   13   35 o  204.678   5.2330  280.772   13.368  274.561   15.955  295.396   24.485  201.073   5.8556  208.283   8.6747 -7.209656 10.46607 
1 1 1  -14   13   36 f  155.475   5.3869  165.091   10.700  166.444   13.134  162.420   18.450  156.530   6.1916  154.421   8.8169 2.108459 10.77378 
1 1 1  -14   13   37 o  151.583   4.9145  155.433   10.049  163.960   15.093  148.644   13.468  155.282   7.1725  147.883   6.7205 7.398468 9.829031 
1 1 1  -14   13   38 o  219.965   7.0267  328.986   20.945  328.986   20.945   0.0000   0.0000  219.965   7.0267  ?   ?       ?      ? 
1 1 1  -14   13   39 o  208.309   4.8211  295.483   13.573  287.793   19.787  302.317   18.652  205.716   7.0980  210.903   6.5263 -5.186432 9.642274 
1 1 1  -14   13   40 o  314.725   7.4992  673.959   31.984  673.959   31.984   0.0000   0.0000  314.725   7.4992  ?   ?       ?      ? 
1 1 1  -14   13   41 o  106.199   6.8151   66.855   8.8490  102.135   17.861   55.377   10.187  122.232   10.783   90.165   8.3375 32.06746 13.63022 
1 1 1  -14   13   42 o  159.253   6.1966  173.251   12.067  172.001   22.561  173.753   14.282  158.642   10.494  159.863   6.5927 -1.221130 12.39321 
1 1 1  -14   13   43 o  117.941   5.7488   96.425   8.9716   85.714   13.818  104.231   11.796  112.101   9.0962  123.782   7.0322 -11.68161 11.49753 
1 1 1  -14   13   44 o  153.618   6.2157  145.106   11.672  198.811   23.288  127.090   13.488  170.581   10.074  136.656   7.2833 33.92412 12.43141 
1 1 1  -14   13   45 o   88.336   10.186   74.721   9.2881   23.360   17.569   94.643   10.942   58.719   19.187  117.952   6.8456 -59.23321 20.37148 
1 1 1  -14   13   46 o  145.513   5.2461  139.887   10.190  174.605   16.088  116.625   13.169  160.145   7.4133  130.881   7.4250 29.26390 10.49228 
1 1 1  -14   13   47 o  195.236   6.3261  269.734   15.811  294.619   19.950  227.700   25.928  208.054   7.0758  182.417   10.489 25.63783 12.65220 
1 1 1  -14   13   48 o   67.979   10.372   33.098   9.0386   33.231   11.422   32.875   14.783   68.450   12.784   67.507   16.336 0.9429398 20.74380 
1 1 1  -14   13   49 o  143.784   5.2597  139.646   10.184  151.129   15.490  130.904   13.515  148.921   7.6755  138.647   7.1933 10.27444 10.51938 
1 1 1  -14   13   50 o  181.029   4.9990  222.669   12.207  228.318   18.251  218.095   16.421  183.064   7.3571  178.994   6.7700 4.070084 9.997973 
1 1 1  -14   13   51 o  187.415   4.9433  238.414   12.511  248.635   18.630  230.018   16.884  191.033   7.1966  183.798   6.7789 7.234283 9.886599 
1 1 1  -14   13   52 o   48.366   9.6442   16.593   6.5087   16.415   10.329   16.710   8.3825   48.386   14.562   48.346   12.649 0.4004669E-01 19.28832 
1 1 1  -14   13   53 o   88.636   6.6059   54.815   7.7412   48.180   11.897   59.687   10.195   83.777   10.479   93.495   8.0465 -9.718254 13.21188 
1 1 1  -14   13   54 o   91.710   6.3976   56.690   7.8713   63.906   12.234   51.592   10.282   96.581   9.3475   86.839   8.7374 9.741905 12.79524 
1 1 1  -14   13   55 o   59.170   8.6460   22.993   6.8501   38.577   10.999   13.119   8.7555   74.856   10.843   43.485   13.470 31.37091 17.29208 
1 1 1  -14   13   56 o  108.758   5.7784   79.696   8.4483   91.584   12.972   70.941   11.133  115.680   8.2753  101.837   8.0671 13.84292 11.55672 
1 1 1  -14   13   57 o  160.768   6.0588  166.823   12.157  203.986   22.943  152.316   14.334  172.196   9.8320  149.341   7.0829 22.85579 12.11759 
1 1 1  -14   13   58 o   85.910   9.4831   61.949   8.8817   33.565   16.003   74.584   10.677   67.410   17.400  104.410   7.5461 -37.00018 18.96614 
1 1 1  -14   13   59 o  139.192   7.0872  132.492   13.368   0.0000   0.0000  132.492   13.368  ?   ?   139.192   7.0872      ?      ? 
1 1 1  -14   13   60 o   41.401   9.9141   9.6933   7.2507   1.3304   10.116   18.530   10.398   32.226   13.577   50.575   14.451 -18.34922 19.82829 
1 1 1  -14   13   61 o  120.246   6.3561   98.139   10.250   89.521   13.374  110.407   15.957  114.023   8.6552  126.469   9.3105 -12.44598 12.71210 
1 1 1  -14   13   62 o   84.937   6.6355   49.610   7.5901   52.352   11.505   47.497   10.100   86.932   9.7658   82.943   8.9860 3.989510 13.27101 
1 1 1  -14   13   63 o   46.068   10.948   14.276   7.8960   12.868   10.026   16.574   12.812   43.347   14.508   48.790   16.400 -5.442924 21.89643 
1 1 1  -14   13   64 o  139.051   5.2638  133.913   9.8413  123.684   14.487  142.678   13.411  133.930   7.9822  144.173   6.8641 -10.24289 10.52764 
1 1 1  -14   13   65 o   52.081   9.2736   19.887   6.4558   20.926   10.142   19.179   8.3705   53.074   13.927   51.088   12.249 1.986477 18.54718 
1 1 1  -14   13   66 o   63.804   8.2622   29.942   6.8190   25.563   10.437   33.204   9.0073   58.649   13.422   68.960   9.6386 -10.31132 16.52449 
1 1 1  -14   13   67 o   46.860   10.656   15.490   7.0492   16.184   13.965   15.253   8.1659   48.272   17.082   45.447   12.744 2.824738 21.31178 
1 1 1  -14   13   68 o  112.008   7.1546   91.240   9.7670   81.280   17.713   95.592   11.708  106.461   12.278  117.554   7.3494 -11.09279 14.30927 
1 1 1  -14   13   69 o   31.560   8.5126   3.0570   5.9151  -7.8370   9.1926   10.755   7.7273   24.205   11.311   38.915   12.725 -14.70994 17.02525 
1 1 1  -14   13   70 o   56.346   8.7557   24.060   6.4587   21.644   9.8563   25.878   8.5503   53.329   13.597   59.363   11.035 -6.034294 17.51149 
1 1 1  -14   13   71 o   84.001   9.0100   54.852   8.6213   46.107   16.119   58.356   10.203   76.717   16.021   91.286   8.2482 -14.56873 18.01994 
1 1 1  -14   13   72 o   41.112   10.600   8.7963   6.8945   19.331   13.877   5.3441   7.9443   50.057   17.067   32.168   12.575 17.88952 21.19907 
1 1 1  -14   13   73 o   88.664   8.6327   61.326   8.7666   50.972   16.119   65.675   10.447   80.613   15.315   96.715   7.9710 -16.10160 17.26536 
1 1 1  -14   13   74 o   54.881   9.8253   25.422   7.4207   15.141   13.746   29.651   8.8157   45.582   16.834   64.179   10.136 -18.59706 19.65051 
1 1 1  -14   13   75 o   55.211   11.959   25.207   9.7972   26.070   13.529   24.256   14.207   56.244   16.605   54.177   17.214 2.066879 23.91738 
1 1 1  -14   13   76 o   53.799   11.984   24.151   9.8266   26.674   13.390   21.206   14.466   56.705   16.458   50.893   17.425 5.811787 23.96806 
1 1 1  -14   13   77 o   67.049   11.469   37.982   10.403   43.829   14.008   30.791   15.536   74.302   14.432   59.796   17.828 14.50590 22.93751 
1 1 1  -14   13   78 o   66.693   15.565   36.573   13.811   36.573   13.811   0.0000   0.0000   66.693   15.565  ?   ?       ?      ? 
1 1 1  -14   13   79 o   37.657   15.386   7.6827   12.443   7.6827   12.443   0.0000   0.0000   37.657   15.386  ?   ?       ?      ? 
1 1 1  -14   13   80 o   28.841   13.200  -4.2316   11.597  -4.2316   11.597   0.0000   0.0000   28.841   13.200  ?   ?       ?      ? 
1 1 1  -14   13   81 o   50.814   16.792   22.295   13.443   22.295   13.443   0.0000   0.0000   50.814   16.792  ?   ?       ?      ? 
1 1 1  -14   13   82 o   68.640   15.879   40.237   14.477   40.237   14.477   0.0000   0.0000   68.640   15.879  ?   ?       ?      ? 
1 1 1  -14   13   83 o   58.997   16.821   31.272   14.104   31.272   14.104   0.0000   0.0000   58.997   16.821  ?   ?       ?      ? 
1 1 1  -14   14    1 o  186.849   4.7097  237.127   11.907  236.936   16.396  237.340   17.321  186.782   6.4777  186.916   6.8383 -0.1346283 9.419313 
1 1 1  -14   14    2 o  216.880   5.3717  307.880   15.348  370.249   25.609  272.920   19.173  233.339   8.0987  200.422   7.0592 32.91667 10.74346 
1 1 1  -14   14    3 o  224.958   5.6020  349.756   16.649  315.380   25.895  373.982   21.739  215.280   8.8762  234.635   6.8369 -19.35469 11.20397 
1 1 1  -14   14    4 o  378.226   6.6575  974.502   32.802  972.123   54.445  975.857   41.098  377.611   10.640  378.841   8.0054 -1.230560 13.31495 
1 1 1  -14   14    5 o  331.017   6.2611  749.344   27.134  730.820   44.247  760.509   34.351  327.533   9.9688  334.500   7.5780 -6.967682 12.52214 
1 1 1  -14   14    6 o  268.387   7.0406  493.065   25.267  506.366   33.398  475.263   38.639  272.767   9.0353  264.007   10.800 8.760345 14.08122 
1 1 1  -14   14    7 o   30.680   9.7394  -4.9027   6.8139  -6.2893   7.6588   0.3628   14.924   22.826   10.548   38.533   16.376 -15.70725 19.47876 
1 1 1  -14   14    8 o  253.729   5.7565  443.034   19.232  414.221   30.541  461.967   24.758  246.692   9.1359  260.765   7.0062 -14.07312 11.51304 
1 1 1  -14   14    9 o  332.275   6.2515  747.752   27.078  764.086   45.140  738.571   33.843  334.908   9.9462  329.641   7.5760 5.267639 12.50293 
1 1 1  -14   14   10 o  378.482   7.6377  976.900   39.169  992.099   55.319  961.620   55.467  381.457   10.702  375.508   10.900 5.949097 15.27533 
1 1 1  -14   14   11 o  239.189   5.6076  390.604   17.325  394.431   21.527  383.569   29.189  240.986   6.5917  237.392   9.0735 3.593918 11.21516 
1 1 1  -14   14   12 o  206.111   8.8432  289.085   24.700   0.0000   0.0000  289.085   24.700  ?   ?   206.111   8.8432      ?      ? 
1 1 1  -14   14   13 o  185.938   5.4000  229.031   13.000  215.899   15.957  254.951   22.417  178.289   6.6044  193.586   8.5453 -15.29724 10.80006 
1 1 1  -14   14   14 o  213.441   5.4892  304.916   15.141  294.352   18.626  325.493   25.996  208.175   6.6024  218.708   8.7712 -10.53209 10.97842 
1 1 1  -14   14   15 o  220.296   5.5800  332.777   15.922  339.829   19.909  320.262   26.521  223.680   6.5681  216.912   9.0225 6.768127 11.15998 
1 1 1  -14   14   16 o  228.295   5.5947  356.606   16.558  362.186   20.694  346.676   27.604  230.914   6.6130  225.675   9.0262 5.239304 11.18946 
1 1 1  -14   14   17 o  229.157   5.5496  343.442   16.400  315.782   19.959  400.923   28.772  215.594   6.8316  242.719   8.7476 -27.12466 11.09916 
1 1 1  -14   14   18 o  333.169   10.199  756.642   46.049   0.0000   0.0000  756.642   46.049  ?   ?   333.169   10.199      ?      ? 
1 1 1  -14   14   19 o  361.028   6.5702  891.974   30.649  902.369   38.120  872.967   51.547  364.299   7.7217  357.757   10.632 6.541931 13.14043 
1 1 1  -14   14   20 o   75.779   9.2177   36.155   8.8476   60.350   15.146   23.622   10.901   93.982   11.892   57.576   14.087 36.40674 18.43549 
1 1 1  -14   14   21 o  111.575   7.3539   83.917   10.881   89.556   17.511   80.371   13.888  114.529   11.283  108.621   9.4348 5.907784 14.70782 
1 1 1  -14   14   22 o   81.144   6.4078   43.361   6.8800   38.480   8.6662   51.683   11.315   75.194   8.5048   87.093   9.5868 -11.89919 12.81557 
1 1 1  -14   14   23 o  219.522   5.2464  322.164   14.145  314.958   16.686  340.570   26.668  215.383   5.7168  223.661   8.7987 -8.277847 10.49280 
1 1 1  -14   14   24 o  113.807   5.9501   87.602   9.0119   85.351   11.623   90.995   14.270  112.029   7.6562  115.586   9.1102 -3.556503 11.90014 
1 1 1  -14   14   25 o   50.850   10.282   18.249   7.4122   17.030   11.374   19.149   9.7724   49.775   15.342   51.924   13.692 -2.148647 20.56352 
1 1 1  -14   14   26 o  146.678   5.2444  145.442   9.7338  143.933   11.785  148.679   17.265  145.580   5.9739  147.776   8.6214 -2.195694 10.48886 
1 1 1  -14   14   27 o   33.316   12.368   5.8587   7.4378   5.8587   7.4378   0.0000   0.0000   33.316   12.368  ?   ?       ?      ? 
1 1 1  -14   14   28 o  111.101   6.6074   83.880   9.9479   83.880   9.9479   0.0000   0.0000  111.101   6.6074  ?   ?       ?      ? 
1 1 1  -14   14   29 o  146.759   5.3434  145.187   9.8947  142.942   11.936  150.118   17.692  145.063   6.0718  148.455   8.7943 -3.391785 10.68679 
1 1 1  -14   14   30 o  179.510   5.1066  207.855   11.473  191.573   13.574  248.576   21.467  167.939   5.9646  191.080   8.2905 -23.14047 10.21320 
1 1 1  -14   14   31 o  240.586   5.3927  392.252   15.933  390.139   18.870  397.502   29.738  239.669   5.8100  241.503   9.0867 -1.833252 10.78533 
1 1 1  -14   14   32 o   98.467   6.3614   69.346   7.9502   77.561   10.035   55.497   13.029  106.804   6.9332   90.130   10.668 16.67366 12.72279 
1 1 1  -14   14   33 o   62.961   8.1291   27.382   6.6718   26.473   8.6309   28.732   10.517   62.266   10.229   63.657   12.637 -1.391327 16.25824 
1 1 1  -14   14   34 o  114.698   6.1780   94.607   8.9301  106.311   11.220   74.375   14.751  125.053   6.6206  104.342   10.433 20.71130 12.35600 
1 1 1  -14   14   35 o  312.847   5.8373  653.505   22.142  637.819   25.895  696.167   42.706  306.353   6.2375  319.342   9.8685 -12.98892 11.67451 
1 1 1  -14   14   36 o   63.265   8.7678   28.048   7.2272   28.391   9.3493   27.537   11.392   64.441   10.706   62.088   13.888 2.353050 17.53557 
1 1 1  -14   14   37 o  208.451   5.9662  297.484   16.624  305.105   21.946  287.222   25.466  211.704   7.6495  205.198   9.1580 6.506134 11.93249 
1 1 1  -14   14   38 o  220.692   6.3255  338.201   18.490  412.612   25.858  260.348   26.450  246.164   7.7516  195.220   9.9980 50.94427 12.65101 
1 1 1  -14   14   39 o  308.399   7.6710  650.021   31.682  655.961   48.770  645.684   41.673  309.391   11.632  307.408   10.004 1.982758 15.34206 
1 1 1  -14   14   40 o  220.567   5.9945  331.003   17.709  327.350   23.274  336.026   27.291  219.223   7.8342  221.911   9.0753 -2.687073 11.98895 
1 1 1  -14   14   41 o  267.386   5.0783  487.298   18.372  471.109   26.445  502.400   25.542  263.047   7.4187  271.724   6.9367 -8.677704 10.15653 
1 1 1  -14   14   42 o  197.814   4.9830  261.404   13.233  310.057   20.378  225.921   17.402  213.437   7.0454  182.191   7.0485 31.24600 9.965919 
1 1 1  -14   14   43 o  221.328   7.2825  333.562   21.842  333.562   21.842   0.0000   0.0000  221.328   7.2825  ?   ?       ?      ? 
1 1 1  -14   14   44 o  177.353   5.0481  216.004   12.028  190.747   17.434  238.941   16.614  167.305   7.6897  187.400   6.5423 -20.09451 10.09620 
1 1 1  -14   14   45 o  116.064   7.0514   90.115   10.811   83.516   13.631  101.308   17.752  110.561   9.0981  121.567   10.776 -11.00604 14.10279 
1 1 1  -14   14   46 o  300.108   5.2513  613.011   21.331  629.091   31.078  598.688   29.331  303.795   7.5489  296.420   7.3018 7.374878 10.50253 
1 1 1  -14   14   47 o  313.167   5.3112  668.529   22.519  671.461   32.586  665.849   31.156  313.784   7.6632  312.549   7.3560 1.234894 10.62244 
1 1 1  -14   14   48 o  102.575   6.2890   70.675   8.6177   79.365   13.637   64.897   11.119  107.683   9.3455   97.467   8.4184 10.21603 12.57807 
1 1 1  -14   14   49 o  280.756   5.1852  537.719   19.699  535.593   28.615  539.633   27.158  280.177   7.5366  281.335   7.1235 -1.158478 10.37040 
1 1 1  -14   14   50 o  231.328   5.0162  365.032   15.681  364.024   23.037  365.902   21.405  230.973   7.3599  231.683   6.8177 -0.7102966 10.03247 
1 1 1  -14   14   51 o  143.644   5.2824  141.971   10.164  132.695   15.286  149.322   13.608  139.309   8.0971  147.979   6.7861 -8.669250 10.56474 
1 1 1  -14   14   52 o  120.840   5.5652   99.541   9.0215  102.012   13.845   97.717   11.893  122.067   8.3696  119.613   7.3374 2.454315 11.13044 
1 1 1  -14   14   53 o  119.511   5.5618   97.713   8.9325   97.864   13.535   97.596   11.889  119.518   8.3570  119.504   7.3415 0.1335907E-01 11.12368 
1 1 1  -14   14   54 o  127.675   8.2761  111.742   14.319  111.742   14.319   0.0000   0.0000  127.675   8.2761  ?   ?       ?      ? 
1 1 1  -14   14   55 o  144.120   6.2942  135.174   11.352  162.800   21.256  124.151   13.427  153.545   10.216  134.696   7.3560 18.84883 12.58844 
1 1 1  -14   14   56 o  106.949   5.9830   78.494   8.6135   79.468   12.982   77.729   11.513  107.458   8.9150  106.439   7.9816 1.019363 11.96591 
1 1 1  -14   14   57 o   74.834   8.8889   41.037   8.5279   48.522   11.504   31.906   12.706   83.714   10.141   65.954   14.602 17.75988 17.77777 
1 1 1  -14   14   58 o  131.013   6.1090  115.040   10.683   99.757   13.738  138.417   16.991  120.363   8.4227  141.663   8.8510 -21.29944 12.21808 
1 1 1  -14   14   59 o   47.462   9.6628   16.270   6.4499   16.639   10.309   16.032   8.2679   48.006   14.571   46.918   12.695 1.087967 19.32557 
1 1 1  -14   14   60 o  144.703   6.5034  145.325   12.205  145.938   15.231  144.225   20.400  145.604   7.7193  143.803   10.468 1.801178 13.00675 
1 1 1  -14   14   61 o   44.124   9.8873   8.7160   7.4616  -1.4956   9.3530   26.593   12.375   28.685   12.574   59.563   15.262 -30.87770 19.77469 
1 1 1  -14   14   62 f   74.234   7.6236   40.713   7.1373   30.917   10.794   48.323   9.5137   64.938   12.722   83.530   8.4047 -18.59218 15.24728 
1 1 1  -14   14   63 o   51.098   9.3065   18.746   6.5520   25.640   10.033   13.620   8.6516   58.837   12.936   43.360   13.383 15.47651 18.61296 
1 1 1  -14   14   64 o   38.318   9.6475   9.6197   6.2617   7.5464   10.258   10.851   7.9056   37.342   14.374   39.294   12.872 -1.952156 19.29503 
1 1 1  -14   14   65 o   38.450   9.8322   9.6782   6.8515  -2.7050   13.872   13.674   7.8798   33.823   15.047   43.077   12.660 -9.254051 19.66442 
1 1 1  -14   14   66 o   35.743   9.4474   7.2107   6.0403   10.000   9.7357   5.4651   7.7019   39.206   14.216   32.281   12.447 6.924450 18.89483 
1 1 1  -14   14   67 o   70.970   7.9244   38.744   6.9676   25.851   10.507   48.866   9.3089   58.310   13.554   83.630   8.2141 -25.31929 15.84876 
1 1 1  -14   14   68 o   40.703   10.279   11.599   6.8177   6.5924   13.876   13.192   7.8277   39.338   16.180   42.068   12.680 -2.730423 20.55724 
1 1 1  -14   14   69 o   76.191   8.9733   42.779   7.9065   44.209   15.387   42.266   9.2164   74.985   15.648   77.396   8.7873 -2.411247 17.94669 
1 1 1  -14   14   70 o   74.439   9.5566   44.676   8.2382   35.874   15.351   48.237   9.7632   66.281   17.007   82.597   8.7226 -16.31565 19.11323 
1 1 1  -14   14   71 o   66.837   9.6436   40.566   8.1014   18.464   14.316   50.978   9.8259   48.795   17.292   84.879   8.5426 -36.08407 19.28724 
1 1 1  -14   14   72 o   49.186   10.432   19.299   7.2188   17.393   13.326   20.091   8.5880   47.347   16.694   51.026   12.515 -3.678238 20.86405 
1 1 1  -14   14   73 o   70.252   11.048   39.771   10.318   30.775   14.123   50.070   15.111   60.793   16.652   79.710   14.524 -18.91706 22.09639 
1 1 1  -14   14   74 o   93.149   9.3408   65.542   11.736   57.755   15.933   74.779   17.352   86.892   13.531   99.406   12.881 -12.51412 18.68155 
1 1 1  -14   14   75 o   49.234   11.905   19.751   9.5042   18.002   12.718   21.962   14.303   47.275   16.331   51.193   17.327 -3.917545 23.81024 
1 1 1  -14   14   76 o   55.601   16.439   26.193   13.251   26.193   13.251   0.0000   0.0000   55.601   16.439  ?   ?       ?      ? 
1 1 1  -14   14   77 o   57.630   16.831   28.648   13.967   28.648   13.967   0.0000   0.0000   57.630   16.831  ?   ?       ?      ? 
1 1 1  -14   14   78 o   36.515   15.146   6.7159   12.300   6.7159   12.300   0.0000   0.0000   36.515   15.146  ?   ?       ?      ? 
1 1 1  -14   14   79 o   78.347   14.369   49.996   14.693   49.996   14.693   0.0000   0.0000   78.347   14.369  ?   ?       ?      ? 
1 1 1  -14   14   80 o   31.453   13.927   0.6709   11.749   0.6709   11.749   0.0000   0.0000   31.453   13.927  ?   ?       ?      ? 
1 1 1  -14   14   81 o   26.319   12.393  -7.8647   11.404  -7.8647   11.404   0.0000   0.0000   26.319   12.393  ?   ?       ?      ? 
1 1 1  -14   15    1 o   68.805   10.193   40.359   7.7108   45.680   8.6657   20.131   16.897   81.940   7.8042   55.670   18.833 26.26944 20.38601 
1 1 1  -14   15    2 o  259.805   7.4372  461.776   26.124  483.446   36.339  438.598   37.582  266.207   10.073  253.403   10.944 12.80331 14.87434 
1 1 1  -14   15    3 o  171.924   7.5195  202.638   17.431  212.671   23.879  191.192   25.504  176.576   9.9792  167.272   11.251 9.304443 15.03898 
1 1 1  -14   15    4 o  100.671   5.7996   70.616   7.7230   80.787   10.396   58.089   11.537  109.013   7.0373   92.329   9.2207 16.68329 11.59929 
1 1 1  -14   15    5 f  270.239   4.9741  497.104   18.190  513.010   25.330  480.169   26.137  274.737   6.8036  265.741   7.2578 8.995758 9.948107 
1 1 1  -14   15    6 o  137.502   5.0003  129.458   9.2423  138.336   12.591  119.085   13.610  142.685   6.5116  132.318   7.5901 10.36708 10.00056 
1 1 1  -14   15    7 o  129.709   5.0696  114.631   8.8653  117.001   12.018  111.801   13.131  131.208   6.7591  128.210   7.5577 2.997604 10.13918 
1 1 1  -14   15    8 o  132.227   5.0686  117.466   9.0260  102.626   12.068  136.308   13.598  122.855   7.2486  141.599   7.0866 -18.74378 10.13720 
1 1 1  -14   15    9 o  260.670   4.9354  461.875   17.419  461.415   24.129  462.376   25.171  260.552   6.8339  260.788   7.1225 -0.2364197 9.870756 
1 1 1  -14   15   10 o  104.733   5.5914   74.090   7.9065   67.036   10.682   82.639   11.759   99.257   7.9415  110.209   7.8733 -10.95157 11.18281 
1 1 1  -14   15   11 o  173.828   5.2206  203.917   11.040  201.956   12.980  209.047   20.991  172.466   5.5537  175.190   8.8417 -2.724289 10.44121 
1 1 1  -14   15   12 f  286.469   5.6592  560.438   19.436  562.758   22.729  554.127   37.486  287.865   5.8266  285.073   9.7035 2.792206 11.31843 
1 1 1  -14   15   13 o   57.182   8.4978   24.045   6.0531   26.242   7.3303   19.335   10.732   62.073   8.7143   52.290   14.591 9.782906 16.99554 
1 1 1  -14   15   14 o   82.172   6.7429   48.160   6.7844   51.497   8.1900   40.863   12.111   87.037   6.9438   77.308   11.561 9.729340 13.48589 
1 1 1  -14   15   15 o   97.436   5.8908   63.721   7.1847   62.303   8.5961   67.008   13.087   95.747   6.6251   99.124   9.7423 -3.377090 11.78152 
1 1 1  -14   15   16 o  102.012   6.7211   70.927   9.2355   70.747   12.394   71.152   13.848  101.900   8.9756  102.123   10.007 -0.2226715 13.44226 
1 1 1  -14   15   17 o  106.496   6.4882   75.837   9.2745   65.063   12.201   90.582   14.274   97.704   9.2151  115.289   9.1362 -17.58501 12.97646 
1 1 1  -14   15   18 o   84.224   6.5456   43.598   7.0680   34.107   8.4863   65.090   12.770   70.755   8.8507   97.694   9.6460 -26.93903 13.09126 
1 1 1  -14   15   19 o  239.665   5.7674  390.810   17.908  390.292   22.269  391.757   30.128  239.605   6.8585  239.725   9.2742 -0.1200104 11.53474 
1 1 1  -14   15   20 o  231.640   6.5427  365.788   20.538  365.320   28.992  366.258   29.098  231.493   9.2418  231.787   9.2637 -0.2937927 13.08539 
1 1 1  -14   15   21 o  266.244   5.6509  487.520   18.240  493.912   21.524  471.234   34.355  269.652   5.8903  262.836   9.6454 6.815857 11.30170 
1 1 1  -14   15   22 o  229.943   5.4617  356.680   15.324  352.665   18.046  367.062   29.017  227.857   5.8444  232.030   9.2284 -4.172653 10.92335 
1 1 1  -14   15   23 o  215.562   5.2970  300.441   13.906  282.108   16.183  352.196   27.190  203.788   5.8599  227.335   8.8258 -23.54686 10.59399 
1 1 1  -14   15   24 o  249.327   5.8731  422.291   19.844  422.291   19.844   0.0000   0.0000  249.327   5.8731  ?   ?       ?      ? 
1 1 1  -14   15   25 o  224.911   5.5429  343.280   15.165  341.926   17.855  346.784   28.729  224.348   5.8728  225.475   9.4024 -1.127991 11.08582 
1 1 1  -14   15   26 f  173.265   5.4780  209.117   11.903  217.677   14.499  191.422   20.846  178.992   5.9775  167.538   9.1817 11.45343 10.95604 
1 1 1  -14   15   27 f  162.634   5.8042  175.645   12.546  158.670   15.968  203.027   20.280  152.673   7.7181  172.595   8.6709 -19.92218 11.60838 
1 1 1  -14   15   28 o  149.399   5.9772  150.070   11.943  140.430   15.484  164.225   18.763  143.604   7.9567  155.194   8.9217 -11.59053 11.95435 
1 1 1  -14   15   29 o  212.911   5.8537  291.688   16.328  245.298   20.176  379.746   27.797  189.800   7.8442  236.022   8.6909 -46.22177 11.70740 
1 1 1  -14   15   30 o  114.293   7.9302   95.555   10.990  143.876   15.578   47.673   15.507  145.348   7.9091   83.239   13.748 62.10872 15.86036 
1 1 1  -14   15   31 o  178.957   5.9621  216.902   14.304  209.350   18.756  227.399   22.113  175.322   7.8944  182.591   8.9368 -7.268768 11.92424 
1 1 1  -14   15   32 o  216.156   5.4516  315.011   14.766  309.978   17.708  326.498   26.753  213.551   6.1191  218.762   9.0243 -5.211044 10.90324 
1 1 1  -14   15   33 o  267.201   5.6243  477.749   18.460  466.347   21.772  506.908   34.816  261.924   6.1339  272.477   9.4291 -10.55331 11.24867 
1 1 1  -14   15   34 f  169.174   5.4987  196.582   11.775  199.631   14.356  190.316   20.582  171.360   6.1824  166.989   9.0952 4.370926 10.99743 
1 1 1  -14   15   35 o   53.371   10.549   20.299   7.9619   17.811   11.504   22.587   11.031   50.582   15.400   56.160   14.420 -5.577839 21.09770 
1 1 1  -14   15   36 o  273.354   6.1350  504.847   22.035  490.206   27.751  529.826   36.247  268.256   7.6339  278.453   9.6059 -10.19653 12.26990 
1 1 1  -14   15   37 o  149.318   5.5253  144.897   10.546  132.203   12.700  173.088   18.926  139.385   6.7236  159.251   8.7698 -19.86523 11.05063 
1 1 1  -14   15   38 f   71.558   8.4561   36.711   7.6263   39.426   9.6804   32.269   12.382   75.954   9.4051   67.162   14.056 8.791832 16.91227 
1 1 1  -14   15   39 o  100.984   6.8530   73.355   8.7178   81.595   10.909   58.795   14.501  109.439   7.3560   92.530   11.565 16.90913 13.70606 
1 1 1  -14   15   40 o  112.907   6.3183   88.427   9.1631   91.522   11.397   82.770   15.409  115.903   7.2564  109.911   10.346 5.991692 12.63667 
1 1 1  -14   15   41 o  151.143   5.7071  156.224   10.960  156.880   13.372  154.881   19.132  151.814   6.4998  150.471   9.3827 1.342987 11.41414 
1 1 1  -14   15   42 o  117.416   7.2982   93.977   11.613   93.977   11.613   0.0000   0.0000  117.416   7.2982  ?   ?       ?      ? 
1 1 1  -14   15   43 o  161.701   5.6454  162.079   11.492  137.627   13.549  224.778   21.696  142.102   7.0357  181.300   8.8306 -39.19740 11.29076 
1 1 1  -14   15   44 o  256.749   5.8587  467.819   18.575  496.459   22.502  406.572   32.906  270.049   6.1490  243.450   9.9744 26.59874 11.71749 
1 1 1  -14   15   45 o  129.188   5.6198  114.903   9.7133  107.788   14.694  120.426   12.945  125.511   8.6390  132.864   7.1899 -7.353065 11.23950 
1 1 1  -14   15   46 o  122.397   5.6053  103.255   9.1548   96.954   13.985  107.980   12.110  118.997   8.6726  125.797   7.1038 -6.800003 11.21062 
1 1 1  -14   15   47 o   83.220   7.4468   51.359   7.6046   36.463   11.910   61.610   9.8808   71.498   12.761   94.942   7.6798 -23.44482 14.89351 
1 1 1  -14   15   48 o   87.514   6.5537   51.780   7.6606   57.309   12.110   48.091   9.8912   91.281   9.7900   83.748   8.7155 7.532677 13.10741 
1 1 1  -14   15   49 f   80.702   6.9014   43.349   7.4145   53.539   11.912   36.905   9.4733   88.159   9.9710   73.244   9.5443 14.91504 13.80270 
1 1 1  -14   15   50 o   77.718   6.9876   40.823   7.2385   46.099   11.556   37.416   9.2858   81.692   10.439   73.744   9.2919 7.947960 13.97525 
1 1 1  -14   15   51 o   68.427   8.1191   32.956   7.1185   33.261   11.574   32.769   9.0280   67.921   13.049   68.932   9.6647 -1.011269 16.23818 
1 1 1  -14   15   52 o  136.750   7.3017  129.748   13.373  127.521   20.427  131.418   17.691  135.487   11.126  138.013   9.4589 -2.526550 14.60331 
1 1 1  -14   15   53 o  110.902   6.8365   83.984   10.194   71.092   13.655  100.212   15.321  101.343   9.9431  120.460   9.3853 -19.11732 13.67293 
1 1 1  -14   15   54 o  119.229   6.5978   99.402   10.469  105.391   13.840   91.391   16.006  123.734   8.2542  114.724   10.295 9.010513 13.19567 
1 1 1  -14   15   55 o  128.812   5.4268  114.900   9.3884  106.514   13.915  121.908   12.720  124.318   8.2595  133.307   7.0414 -8.988014 10.85358 
1 1 1  -14   15   56 o  138.331   5.2774  131.857   9.8372  129.069   14.619  134.163   13.298  136.874   7.8818  139.787   7.0200 -2.913284 10.55476 
1 1 1  -14   15   57 o   81.809   6.8074   47.063   7.4357   43.032   11.214   50.225   9.9331   78.434   10.551   85.184   8.6048 -6.750130 13.61475 
1 1 1  -14   15   58 o   76.322   8.6661   39.517   8.5401   31.656   10.689   53.393   14.202   65.831   12.437   86.814   12.072 -20.98219 17.33226 
1 1 1  -14   15   59 o   44.336   9.2947   14.615   6.2814   8.3105   9.7144   19.145   8.2345   37.719   14.108   50.953   12.105 -13.23362 18.58945 
1 1 1  -14   15   60 o   29.008   8.6800   1.1121   5.9025  -1.9833   9.3705   3.1481   7.5997   28.198   12.464   29.817   12.084 -1.619144 17.36007 
1 1 1  -14   15   61 o  144.757   6.4638  149.174   11.625  139.728   20.743  153.501   14.037  140.393   10.903  149.121   6.9465 -8.728073 12.92759 
1 1 1  -14   15   62 o   61.373   9.9917   27.269   7.4125   31.511   14.404   25.741   8.6452   63.479   16.568   59.268   11.174 4.210999 19.98338 
1 1 1  -14   15   63 f   45.356   9.5238   15.064   6.2444   18.210   9.6140   12.768   8.2125   48.994   13.859   41.719   13.066 7.275272 19.04757 
1 1 1  -14   15   64 o   51.304   9.1822   19.475   6.3415   23.797   9.8823   16.449   8.2685   55.936   13.242   46.673   12.724 9.262676 18.36448 
1 1 1  -14   15   65 o   76.737   6.7485   41.911   6.9546   40.665   10.456   42.899   9.3133   75.455   10.226   78.018   8.8090 -2.563309 13.49701 
1 1 1  -14   15   66 o   65.771   9.6920   40.709   8.0993   14.776   15.084   51.215   9.6007   46.211   17.516   85.331   8.3026 -39.11970 19.38391 
1 1 1  -14   15   67 o   41.651   9.9393   13.180   7.1582   2.1662   13.163   17.805   8.5299   35.187   15.173   48.116   12.842 -12.92906 19.87861 
1 1 1  -14   15   68 o   66.477   9.7258   35.511   7.9130   29.877   14.359   37.969   9.4828   60.148   16.911   72.805   9.6116 -12.65602 19.45155 
1 1 1  -14   15   69 o   49.001   9.6912   20.788   7.2445   7.3059   13.306   26.468   8.6369   38.618   15.860   59.384   11.142 -20.76559 19.38232 
1 1 1  -14   15   70 o   55.981   9.6721   27.122   7.4483   15.047   13.473   32.438   8.9384   44.945   16.653   67.016   9.8424 -22.07066 19.34422 
1 1 1  -14   15   71 o   45.499   11.612   15.751   9.2266   12.559   12.716   19.301   13.409   42.226   16.064   48.771   16.773 -6.544746 23.22419 
1 1 1  -14   15   72 o   50.641   11.413   20.059   9.3461   10.774   12.684   31.090   13.824   40.497   15.873   60.785   16.403 -20.28793 22.82551 
1 1 1  -14   15   73 o   46.510   16.263   17.455   12.631   17.455   12.631   0.0000   0.0000   46.510   16.263  ?   ?       ?      ? 
1 1 1  -14   15   74 o   73.694   15.207   44.548   14.683   44.548   14.683   0.0000   0.0000   73.694   15.207  ?   ?       ?      ? 
1 1 1  -14   15   75 o   43.128   16.214   14.290   12.863   14.290   12.863   0.0000   0.0000   43.128   16.214  ?   ?       ?      ? 
1 1 1  -14   15   76 o   80.471   14.849   53.256   15.597   53.256   15.597   0.0000   0.0000   80.471   14.849  ?   ?       ?      ? 
1 1 1  -14   15   77 o   43.851   16.328   15.678   12.983   15.678   12.983   0.0000   0.0000   43.851   16.328  ?   ?       ?      ? 
1 1 1  -14   15   78 o   52.282   16.666   24.677   13.309   24.677   13.309   0.0000   0.0000   52.282   16.666  ?   ?       ?      ? 
1 1 1  -14   16    1 o  197.308   4.9238  261.040   13.070  227.202   17.362  305.299   19.856  182.756   7.0104  211.861   6.9160 -29.10504 9.847686 
1 1 1  -14   16    2 o  111.675   5.5860   83.943   8.3951   76.887   11.102   93.364   12.829  106.272   7.7094  117.078   8.0859 -10.80639 11.17209 
1 1 1  -14   16    3 o   87.767   6.3727   51.847   7.5294   46.144   9.9938   59.335   11.451   82.260   8.9652   93.273   9.0592 -11.01347 12.74536 
1 1 1  -14   16    4 o   44.510   8.1611   9.7305   6.1422  -2.9319   7.9622   28.341   9.6528   25.662   11.409   63.358   11.673 -37.69581 16.32225 
1 1 1  -14   16    5 o   93.293   6.0648   58.822   7.6265   54.735   10.164   64.088   11.537   89.628   8.3682   96.958   8.7808 -7.329330 12.12969 
1 1 1  -14   16    6 o   99.817   5.9742   66.817   8.0123   56.865   10.632   79.896   12.189   91.343   8.5896  108.292   8.3057 -16.94897 11.94847 
1 1 1  -14   16    7 o  209.829   4.9147  300.188   13.940  315.183   19.392  284.150   20.054  215.299   6.6465  204.359   7.2416 10.94083 9.829380 
1 1 1  -14   16    8 o  101.318   13.188   70.518   18.107   70.518   18.107   0.0000   0.0000  101.318   13.188  ?   ?       ?      ? 
1 1 1  -14   16    9 o   96.734   10.745   64.875   13.359   45.540   17.925   89.034   20.036   79.601   17.125  113.868   12.985 -34.26750 21.49099 
1 1 1  -14   16   10 o   35.403   9.2166   4.7680   6.2284  -1.3308   8.3326   12.490   9.3759   27.566   11.979   43.239   14.010 -15.67338 18.43324 
1 1 1  -14   16   11 o   84.055   6.8555   46.765   7.2507   44.452   8.6630   52.176   13.250   80.795   7.9123   87.315   11.198 -6.520470 13.71106 
1 1 1  -14   16   12 o  119.067   6.6001   96.235   10.510   93.781   13.714   99.729   16.359  117.297   8.6276  120.837   9.9904 -3.540276 13.20012 
1 1 1  -14   16   13 o  196.592   5.9700  259.945   15.561  247.711   19.833  279.535   25.097  190.752   7.6725  202.433   9.1487 -11.68147 11.94007 
1 1 1  -14   16   14 o  254.318   5.9989  446.021   19.749  459.394   24.741  422.537   32.787  259.866   7.0257  248.770   9.7257 11.09602 11.99788 
1 1 1  -14   16   15 o  153.049   6.5555  159.856   13.591  165.420   19.246  154.323   19.194  155.723   9.1203  150.375   9.4189 5.347656 13.11092 
1 1 1  -14   16   16 o  248.780   5.6621  432.350   17.102  446.934   20.314  396.862   31.688  256.471   5.8449  241.089   9.6992 15.38278 11.32417 
1 1 1  -14   16   17 o  166.534   5.6761  193.869   11.605  201.225   13.901  176.958   21.077  172.079   5.9614  160.988   9.6610 11.09116 11.35221 
1 1 1  -14   16   18 o  313.599   5.9546  661.729   22.331  652.300   25.963  688.535   43.777  309.784   6.1847  317.414   10.177 -7.630463 11.90918 
1 1 1  -14   16   19 o  114.163   6.0066   78.506   8.6802   61.163   10.276  121.696   16.217   94.756   8.0028  133.569   8.9595 -38.81314 12.01323 
1 1 1  -14   16   20 o  124.143   6.5706  104.804   11.054  104.804   11.054   0.0000   0.0000  124.143   6.5706  ?   ?       ?      ? 
1 1 1  -14   16   21 o  164.147   6.0109  183.127   13.371  183.127   13.371   0.0000   0.0000  164.147   6.0109  ?   ?       ?      ? 
1 1 1  -14   16   22 o  325.005   6.0953  730.984   23.933  744.510   28.226  696.381   45.144  330.917   6.2942  319.093   10.440 11.82370 12.19051 
1 1 1  -14   16   23 o  210.719   5.5097  300.272   14.243  297.361   16.841  307.588   26.695  209.169   5.9414  212.268   9.2804 -3.098282 11.01932 
1 1 1  -14   16   24 o  324.570   6.0499  714.661   23.616  710.303   27.602  726.565   45.622  323.211   6.3019  325.931   10.329 -2.719910 12.09987 
1 1 1  -14   16   25 o  265.895   5.6730  468.730   18.251  453.568   21.277  510.957   35.506  258.302   6.0784  273.488   9.5804 -15.18646 11.34599 
1 1 1  -14   16   26 o  128.652   5.8639  106.875   9.5666   97.093   11.426  129.815   17.497  119.436   7.0593  137.867   9.3653 -18.43102 11.72781 
1 1 1  -14   16   27 o  128.649   6.0440  113.915   9.9037  115.963   12.154  109.870   17.084  130.538   6.8710  126.761   9.9453 3.776657 12.08800 
1 1 1  -14   16   28 o  372.843   6.4384  940.399   28.811  930.290   33.598  968.484   56.004  369.755   6.7053  375.932   10.993 -6.176819 12.87679 
1 1 1  -14   16   29 o  136.448   5.8834  127.395   10.177  128.151   12.395  125.831   17.827  137.233   6.6650  135.663   9.6971 1.569962 11.76675 
1 1 1  -14   16   30 o   94.478   6.6978   59.805   8.1822   57.144   10.054   65.021   14.079   91.540   8.1051   97.416   10.665 -5.876160 13.39558 
1 1 1  -14   16   31 o  117.725   6.1127   94.118   9.1679   93.168   11.174   96.075   16.037  116.969   7.0493  118.482   9.9883 -1.512833 12.22533 
1 1 1  -14   16   32 o  143.193   6.1676  136.660   11.809  119.670   15.264  161.990   18.638  132.401   8.5075  153.985   8.9319 -21.58368 12.33514 
1 1 1  -14   16   33 o  104.577   7.0610   72.505   9.7568   53.269   12.706  100.148   15.231   88.136   10.638  121.019   9.2875 -32.88305 14.12207 
1 1 1  -14   16   34 o  114.789   6.3157   92.208   9.1558   96.408   11.238   83.917   15.789  118.965   6.9710  110.613   10.534 8.351639 12.63133 
1 1 1  -14   16   35 o  102.769   6.4462   69.440   8.5861   63.326   10.503   81.759   14.909   96.320   8.0464  109.217   10.073 -12.89680 12.89239 
1 1 1  -14   16   36 o  173.496   5.5824  206.215   12.125  207.460   14.610  203.462   21.731  174.587   6.1754  172.406   9.3015 2.181335 11.16485 
1 1 1  -14   16   37 o  172.976   5.5661  202.640   12.125  199.884   14.611  208.735   21.729  171.339   6.2927  174.613   9.1831 -3.274200 11.13229 
1 1 1  -14   16   38 o   85.515   8.1613   55.005   8.3641   64.166   10.534   39.378   13.758   96.913   8.0211   74.116   14.216 22.79728 16.32250 
1 1 1  -14   16   39 o   97.522   7.9944   64.996   10.565   64.996   10.565   0.0000   0.0000   97.522   7.9944  ?   ?       ?      ? 
1 1 1  -14   16   40 o   88.693   7.2012   53.592   8.2640   52.457   10.216   55.739   14.056   87.530   8.6131   89.856   11.543 -2.325447 14.40239 
1 1 1  -14   16   41 o   90.484   7.0691   56.401   8.2326   56.631   10.180   55.968   13.997   90.961   8.2583   90.007   11.476 0.9540710 14.13829 
1 1 1  -14   16   42 o  104.386   6.4510   70.653   8.7438   61.400   10.673   89.540   15.248   94.682   8.3183  114.090   9.8625 -19.40797 12.90208 
1 1 1  -14   16   43 o  106.400   6.9487   82.685   9.2383   93.347   11.557   63.808   15.377  116.861   7.2976   95.939   11.827 20.92210 13.89741 
1 1 1  -14   16   44 o  125.733   6.7895  107.681   11.482   91.126   15.450  128.106   17.160  114.987   9.9148  136.480   9.2784 -21.49286 13.57910 
1 1 1  -14   16   45 o  203.807   5.5995  283.060   14.260  280.467   17.096  288.987   25.851  202.729   6.2229  204.885   9.3108 -2.156265 11.19895 
1 1 1  -14   16   46 f   56.343   9.8727   24.104   7.7154   30.762   10.187   15.147   11.815   65.537   11.909   47.149   15.750 18.38779 19.74534 
1 1 1  -14   16   47 o   52.188   10.342   18.982   7.9999   10.579   10.896   28.808   11.783   41.633   15.048   62.744   14.190 -21.11090 20.68332 
1 1 1  -14   16   48 o  122.739   6.4706  102.059   10.637   92.068   13.817  116.596   16.667  115.579   8.8219  129.900   9.4683 -14.32075 12.94119 
1 1 1  -14   16   49 o   36.165   10.476   4.1965   7.9721   2.7305   13.278   5.0230   9.9690   37.231   15.613   35.100   13.972 2.130604 20.95185 
1 1 1  -14   16   50 o   50.402   10.287   14.178   6.8819   30.379   13.838   8.8546   7.9325   63.744   16.034   37.060   12.892 26.68439 20.57417 
1 1 1  -14   16   51 f   88.875   6.7824   58.015   7.6792   41.020   11.806   70.477   10.110   76.494   11.389  101.256   7.3679 -24.76224 13.56479 
1 1 1  -14   16   52 o   87.959   6.5459   54.072   7.6201   51.864   12.004   55.562   9.8621   86.201   10.276   89.717   8.1117 -3.516068 13.09178 
1 1 1  -14   16   53 o   30.527   8.9559   1.7833   5.9163   4.6950   9.7299   0.0752   7.4523   34.276   13.749   26.779   11.480 7.497194 17.91184 
1 1 1  -14   16   54 o   71.804   7.4631   36.344   7.0928   35.488   11.218   36.913   9.1550   70.812   11.690   72.796   9.2805 -1.983162 14.92624 
1 1 1  -14   16   55 o   57.301   10.605   23.677   8.3506   17.421   10.800   32.975   13.167   48.552   14.948   66.050   15.047 -17.49760 21.20967 
1 1 1  -14   16   56 o   75.589   7.2396   40.143   7.3020   40.701   11.383   39.753   9.5185   75.791   11.083   75.388   9.3172 0.4035721 14.47913 
1 1 1  -14   16   57 o   53.003   10.119   22.962   7.2961   13.808   14.196   26.248   8.5054   45.961   17.081   60.045   10.852 -14.08408 20.23724 
1 1 1  -14   16   58 o  112.526   7.4081   96.550   9.9684   73.367   17.675  107.364   12.071  100.522   12.975  124.531   7.1532 -24.00943 14.81629 
1 1 1  -14   16   59 o  109.777   5.7756   84.952   8.4964   76.256   12.535   92.342   11.556  104.238   8.8738  115.317   7.3951 -11.07871 11.55124 
1 1 1  -14   16   60 o   48.560   9.4212   17.909   6.3544   18.025   9.6167   17.818   8.4659   48.598   13.901   48.522   12.720 0.7612991E-01 18.84241 
1 1 1  -14   16   61 o   45.400   8.9532   16.145   6.2304   6.9901   9.7009   22.573   8.1285   35.723   13.915   55.076   11.271 -19.35293 17.90647 
1 1 1  -14   16   62 o   84.119   6.6414   51.041   7.4372   43.781   11.012   57.130   10.085   78.090   10.406   90.148   8.2550 -12.05876 13.28281 
1 1 1  -14   16   63 o   65.142   9.9198   30.890   7.7905   38.292   14.911   28.111   9.1367   68.948   16.229   61.336   11.412 7.611691 19.83969 
1 1 1  -14   16   64 o   43.442   10.657   11.972   7.0034   20.641   13.541   8.8064   8.1827   50.769   16.857   36.114   13.042 14.65503 21.31336 
1 1 1  -14   16   65 o   62.309   9.5577   23.187   7.6802   52.236   15.039   12.939   8.9329   83.173   13.343   41.444   13.688 41.72860 19.11548 
1 1 1  -14   16   66 o   87.106   9.7765   66.147   9.3300   41.697   17.035   76.623   11.151   70.031   17.887  104.182   7.8985 -34.15084 19.55310 
1 1 1  -14   16   67 o   48.468   10.709   17.675   7.2829   22.644   13.483   15.628   8.6539   52.228   16.788   44.707   13.301 7.520798 21.41829 
1 1 1  -14   16   68 o   60.407   11.442   29.953   9.8387   20.699   13.350   40.955   14.557   50.056   16.741   70.759   15.601 -20.70247 22.88318 
1 1 1  -14   16   69 o   39.986   11.106   10.238   8.8814   7.1882   12.645   13.209   12.478   37.508   15.439   42.464   15.968 -4.955990 22.21125 
1 1 1  -14   16   70 o   50.198   16.623   21.190   13.171   21.190   13.171   0.0000   0.0000   50.198   16.623  ?   ?       ?      ? 
1 1 1  -14   16   71 o   59.681   16.865   30.875   14.244   30.875   14.244   0.0000   0.0000   59.681   16.865  ?   ?       ?      ? 
1 1 1  -14   16   72 o   43.605   16.246   14.913   12.857   14.913   12.857   0.0000   0.0000   43.605   16.246  ?   ?       ?      ? 
1 1 1  -14   16   73 o   60.701   16.706   32.442   14.175   32.442   14.175   0.0000   0.0000   60.701   16.706  ?   ?       ?      ? 
1 1 1  -14   16   74 o   36.562   15.232   7.2439   12.517   7.2439   12.517   0.0000   0.0000   36.562   15.232  ?   ?       ?      ? 
1 1 1  -14   16   75 o   38.058   15.500   9.5234   12.577   9.5234   12.577   0.0000   0.0000   38.058   15.500  ?   ?       ?      ? 
1 1 1  -14   17    1 o   59.816   8.6673   25.178   6.7159   23.627   8.7676   27.380   10.447   57.670   11.620   61.962   12.863 -4.291714 17.33452 
1 1 1  -14   17    2 o  154.180   4.9949  161.539   10.389  158.729   13.984  165.001   15.519  152.718   6.7568  155.642   7.3581 -2.923813 9.989837 
1 1 1  -14   17    3 o  104.982   5.7438   75.242   8.1144   75.925   10.881   74.386   12.180  105.561   7.6062  104.404   8.6088 1.157082 11.48767 
1 1 1  -14   17    4 o   77.663   7.0861   42.317   7.2607   48.251   9.7146   34.806   10.929   84.093   8.5248   71.233   11.322 12.85915 14.17217 
1 1 1  -14   17    5 o  121.688   5.5166  102.333   8.9689  115.218   12.271   87.558   13.141  130.099   6.9604  113.278   8.5606 16.82083 11.03319 
1 1 1  -14   17    6 o  135.887   5.3261  125.021   9.7769  115.537   13.214  136.493   14.533  130.232   7.4873  141.542   7.5770 -11.30971 10.65228 
1 1 1  -14   17    7 o   58.218   11.158   25.199   8.7208   19.079   16.025   27.775   10.395   53.987   18.340   62.449   12.715 -8.461658 22.31685 
1 1 1  -14   17    8 o  132.115   7.7715  120.788   13.657  112.997   21.052  126.451   17.946  128.238   12.114  135.992   9.7381 -7.754501 15.54300 
1 1 1  -14   17    9 o  119.516   7.0667   96.033   11.289   76.406   15.008  121.615   17.134  105.634   10.484  133.397   9.4784 -27.76344 14.13348 
1 1 1  -14   17   10 f   87.480   8.0082   52.492   9.4463   52.477   12.742   52.510   14.075   87.520   10.744   87.440   11.878 0.7962036E-01 16.01647 
1 1 1  -14   17   11 o   92.080   6.6469   56.529   7.5627   54.599   8.9378   61.393   14.190   89.532   7.3666   94.629   11.066 -5.096428 13.29375 
1 1 1  -14   17   12 f  155.372   5.6784  168.516   10.578  173.327   12.454  156.058   20.042  159.683   5.7555  151.061   9.7905 8.621918 11.35687 
1 1 1  -14   17   13 o   74.008   8.1239   39.632   7.1254   41.796   8.5565   34.735   12.870   78.291   8.0649   69.725   14.105 8.566391 16.24789 
1 1 1  -14   17   14 o   85.008   7.4548   52.599   7.6039   57.003   9.1100   42.484   13.807   91.479   7.3487   78.536   12.973 12.94327 14.90964 
1 1 1  -14   17   15 o  143.994   7.9697  141.374   15.551  141.374   15.551   0.0000   0.0000  143.994   7.9697  ?   ?       ?      ? 
1 1 1  -14   17   16 o  185.155   5.9237  233.103   14.863  233.103   14.863   0.0000   0.0000  185.155   5.9237  ?   ?       ?      ? 
1 1 1  -14   17   17 o   92.348   8.3658   69.965   8.3077   84.629   10.058   38.476   14.738  111.509   6.6560   73.186   15.351 38.32304 16.73153 
1 1 1  -14   17   18 o  165.101   5.6448  189.643   11.368  194.820   13.521  177.156   20.999  169.266   5.8947  160.935   9.6285 8.330780 11.28960 
1 1 1  -14   17   19 o  201.998   6.0786  281.678   16.202  293.444   20.930  264.084   25.594  207.512   7.4429  196.483   9.6124 11.02902 12.15714 
1 1 1  -14   17   20 o  234.058   5.5467  359.088   15.662  342.918   18.179  405.666   30.853  224.546   5.9742  243.569   9.3473 -19.02341 11.09341 
1 1 1  -14   17   21 o  208.833   5.5904  297.102   14.196  296.638   16.723  298.299   26.860  208.847   5.9087  208.819   9.4919 0.2819824E-01 11.18075 
1 1 1  -14   17   22 o  113.457   6.2594   85.647   8.9201   82.023   10.658   94.127   16.300  109.719   7.1679  117.195   10.264 -7.476067 12.51875 
1 1 1  -14   17   23 o  159.765   5.6859  173.620   11.255  172.791   13.418  175.587   20.673  159.352   6.2135  160.177   9.5242 -0.8249054 11.37181 
1 1 1  -14   17   24 o  220.149   5.5161  314.672   14.734  296.436   17.118  366.820   28.946  208.734   6.0516  231.565   9.2243 -22.83119 11.03219 
1 1 1  -14   17   25 o  155.179   6.1901  167.915   12.637  181.118   16.440  148.845   19.757  162.975   7.4439  147.384   9.8923 15.59039 12.38024 
1 1 1  -14   17   26 o   53.231   9.7669   20.225   6.8906   20.142   8.5556   20.377   11.625   53.031   12.164   53.431   15.284 -0.4004669 19.53374 
1 1 1  -14   17   27 o  111.563   6.2652   84.125   8.8155   82.416   10.621   87.908   15.805  109.950   7.1284  113.176   10.305 -3.226387 12.53044 
1 1 1  -14   17   28 o  168.007   6.1447  191.320   13.705  184.755   17.558  201.557   21.926  164.492   7.8769  171.523   9.4332 -7.030502 12.28943 
1 1 1  -14   17   29 o  114.941   6.9147   89.809   10.668   85.098   14.004   96.322   16.467  111.453   9.2722  118.430   10.260 -6.976318 13.82935 
1 1 1  -14   17   30 o  100.874   6.5759   63.896   8.5041   52.917   10.201   88.918   15.399   87.946   8.5591  113.803   9.9855 -25.85743 13.15170 
1 1 1  -14   17   31 o  106.800   7.0066   84.359   9.1317   95.423   11.235   62.824   15.675  118.272   7.0099   95.328   12.134 22.94415 14.01325 
1 1 1  -14   17   32 o   81.321   7.4053   41.909   7.8131   33.243   9.5263   59.718   13.656   69.538   10.109   93.104   10.824 -23.56599 14.81051 
1 1 1  -14   17   33 o  123.473   6.1150  102.936   9.6064  100.156   11.649  108.845   16.982  121.127   7.0970  125.819   9.9602 -4.692223 12.23000 
1 1 1  -14   17   34 o  149.443   5.8075  150.629   10.903  146.957   13.081  158.987   19.734  146.781   6.5763  152.106   9.5739 -5.324677 11.61492 
1 1 1  -14   17   35 o  239.748   6.0916  391.791   19.791  391.791   19.791   0.0000   0.0000  239.748   6.0916  ?   ?       ?      ? 
1 1 1  -14   17   36 o   70.942   10.022   34.677   9.6349   34.677   9.6349   0.0000   0.0000   70.942   10.022  ?   ?       ?      ? 
1 1 1  -14   17   37 o  152.799   5.7470  155.859   11.013  149.391   13.146  171.083   20.169  147.928   6.5577  157.670   9.4397 -9.742371 11.49399 
1 1 1  -14   17   38 o   68.166   8.8241   32.675   7.6235   32.026   9.4666   33.872   12.859   68.094   10.259   68.238   14.360 -0.1444244 17.64829 
1 1 1  -14   17   39 o   72.484   8.8077   36.139   8.3623   30.201   10.834   44.889   13.152   64.698   12.810   80.269   12.091 -15.57054 17.61550 
1 1 1  -14   17   40 o   64.206   9.8937   30.167   8.2975   30.891   10.972   29.200   12.681   65.394   12.840   63.018   15.056 2.376331 19.78733 
1 1 1  -14   17   41 o  117.418   6.5875   92.820   10.327   82.159   13.285  109.102   16.417  109.181   8.9790  125.654   9.6414 -16.47282 13.17492 
1 1 1  -14   17   42 o   57.887   14.900   24.711   11.757   24.711   11.757   0.0000   0.0000   57.887   14.900  ?   ?       ?      ? 
1 1 1  -14   17   43 o  101.117   6.9052   73.884   8.8310   80.973   11.041   61.298   14.712  108.597   7.5028   93.636   11.595 14.96133 13.81036 
1 1 1  -14   17   44 o   72.301   8.2514   37.399   7.5972   38.208   9.6390   36.074   12.344   74.246   9.5802   70.356   13.437 3.889687 16.50287 
1 1 1  -14   17   45 f   52.821   9.6819   19.508   6.9817   14.409   8.9766   27.317   11.108   44.769   13.598   60.872   13.786 -16.10222 19.36387 
1 1 1  -14   17   46 o   71.212   8.9789   36.392   8.4476   31.882   11.718   41.272   12.189   65.842   13.584   76.582   11.745 -10.73953 17.95772 
1 1 1  -14   17   47 o   68.325   8.7168   34.015   7.7028   35.964   10.053   31.244   11.987   71.725   10.343   64.924   14.034 6.800919 17.43353 
1 1 1  -14   17   48 o   73.940   7.8821   38.349   7.7249   37.806   9.9199   39.185   12.313   73.560   9.9514   74.319   12.226 -0.7590256 15.76411 
1 1 1  -14   17   49 o   51.814   10.233   19.918   7.3794   19.174   9.6270   20.978   11.491   50.748   13.686   52.881   15.216 -2.133202 20.46504 
1 1 1  -14   17   50 o   80.413   7.4819   44.790   7.8991   42.590   9.9063   48.629   13.089   78.081   9.3624   82.745   11.673 -4.664459 14.96383 
1 1 1  -14   17   51 o   47.445   10.862   16.164   8.1294   20.989   11.677   11.626   11.325   52.650   15.394   42.240   15.330 10.40919 21.72486 
1 1 1  -14   17   52 o  120.198   9.0823  101.113   14.794  101.113   14.794   0.0000   0.0000  120.198   9.0823  ?   ?       ?      ? 
1 1 1  -14   17   53 o  135.863   6.7077  129.768   12.165  129.443   15.901  130.226   18.890  136.092   8.6223  135.635   10.278 0.4570923 13.41534 
1 1 1  -14   17   54 o  123.329   6.2394  104.213   9.9324   98.890   12.176  114.799   17.172  119.297   7.5316  127.360   9.9495 -8.063362 12.47873 
1 1 1  -14   17   55 f   98.564   6.2428   67.900   8.2410   70.718   12.760   65.883   10.794  100.069   9.4094   97.059   8.2069 3.009636 12.48559 
1 1 1  -14   17   56 o   65.585   8.3119   31.288   7.0099   35.668   11.134   28.412   9.0230   69.117   12.340   62.053   11.139 7.063587 16.62390 
1 1 1  -14   17   57 o   85.516   6.7729   53.012   7.6263   46.513   11.794   57.683   9.9979   80.362   10.830   90.670   8.1369 -10.30801 13.54584 
1 1 1  -14   17   58 f   60.544   8.5503   28.631   6.7296   20.554   10.297   34.654   8.8914   51.298   14.284   69.790   9.4014 -18.49225 17.10051 
1 1 1  -14   17   59 o   46.341   9.4563   16.665   6.2760   15.168   9.4553   17.844   8.3910   44.502   14.033   48.181   12.679 -3.679253 18.91259 
1 1 1  -14   17   60 o   49.815   10.708   19.048   7.3437   20.896   13.923   18.335   8.6438   50.963   17.097   48.667   12.899 2.296055 21.41653 
1 1 1  -14   17   61 o   56.698   10.571   22.039   7.4265   36.021   14.960   17.466   8.5550   65.988   16.712   47.407   12.950 18.58118 21.14223 
1 1 1  -14   17   62 o   79.164   8.4534   39.194   8.0785   69.204   16.151   29.181   9.3294   96.186   12.391   62.143   11.502 34.04240 16.90675 
1 1 1  -14   17   63 o   70.601   9.6851   42.020   8.1067   30.847   14.786   46.822   9.6934   60.268   17.236   80.935   8.8381 -20.66748 19.37023 
1 1 1  -14   17   64 o   50.285   10.371   20.247   7.1293   20.249   13.181   20.246   8.4763   49.598   16.634   50.972   12.392 -1.373856 20.74256 
1 1 1  -14   17   65 o   53.445   9.6741   24.988   7.3985   12.857   13.518   30.176   8.8401   42.610   16.473   64.279   10.148 -21.66990 19.34811 
1 1 1  -14   17   66 o   87.017   13.550   58.681   15.978   58.681   15.978   0.0000   0.0000   87.017   13.550  ?   ?       ?      ? 
1 1 1  -14   17   67 o   74.067   15.558   45.438   15.119   45.438   15.119   0.0000   0.0000   74.067   15.558  ?   ?       ?      ? 
1 1 1  -14   17   68 o   33.849   14.668   2.8420   12.421   2.8420   12.421   0.0000   0.0000   33.849   14.668  ?   ?       ?      ? 
1 1 1  -14   17   69 o   53.930   16.813   25.626   13.615   25.626   13.615   0.0000   0.0000   53.930   16.813  ?   ?       ?      ? 
1 1 1  -14   17   70 o   57.836   16.992   30.021   14.196   30.021   14.196   0.0000   0.0000   57.836   16.992  ?   ?       ?      ? 
1 1 1  -14   17   71 o   78.749   14.671   51.767   15.080   51.767   15.080   0.0000   0.0000   78.749   14.671  ?   ?       ?      ? 
1 1 1  -14   17   72 o   54.837   16.568   27.476   13.351   27.476   13.351   0.0000   0.0000   54.837   16.568  ?   ?       ?      ? 
1 1 1  -14   18    1 o  141.844   7.9775  137.492   15.334   0.0000   0.0000  137.492   15.334  ?   ?   141.844   7.9775      ?      ? 
1 1 1  -14   18    2 o   77.079   10.793   40.882   11.273   0.0000   0.0000   40.882   11.273  ?   ?    77.079   10.793      ?      ? 
1 1 1  -14   18    3 o   80.680   9.2899   43.907   9.4839   26.671   12.241   69.791   15.001   60.674   14.978  100.687   10.994 -40.01291 18.57976 
1 1 1  -14   18    4 o  120.542   6.3417   97.228   10.205  124.539   15.700   77.246   13.429  134.919   8.5871  106.165   9.3343 28.75457 12.68334 
1 1 1  -14   18    5 o  104.978   6.8212   75.057   9.6235   79.549   14.747   71.725   12.701  107.633   10.111  102.324   9.1594 5.308372 13.64245 
1 1 1  -14   18    6 o   62.677   9.3429   28.249   7.6796   27.053   11.090   29.350   10.645   61.281   13.698   64.073   12.709 -2.791862 18.68579 
1 1 1  -14   18    7 o   34.813   9.4626   4.1536   6.6919   10.704   9.5481  -2.1706   9.3815   41.013   14.151   28.614   12.566 12.39882 18.92510 
1 1 1  -14   18    8 o   63.864   9.2834   29.281   7.7541   28.504   11.295   29.975   10.664   62.939   13.637   64.789   12.600 -1.850723 18.56687 
1 1 1  -14   18    9 o   99.128   6.2437   67.790   8.3198   74.090   11.455   60.756   12.104  104.119   8.1187   94.138   9.4880 9.981262 12.48739 
1 1 1  -14   18   10 o   98.068   8.4581   65.780   11.240   65.780   11.240   0.0000   0.0000   98.068   8.4581  ?   ?       ?      ? 
1 1 1  -14   18   11 o   82.812   7.6440   46.826   8.5781   46.826   8.5781   0.0000   0.0000   82.812   7.6440  ?   ?       ?      ? 
1 1 1  -14   18   12 o   70.825   8.5557   34.320   8.2115   34.320   8.2115   0.0000   0.0000   70.825   8.5557  ?   ?       ?      ? 
1 1 1  -14   18   13 o  118.816   6.3229  100.088   8.9409  104.212   10.524   89.393   16.949  123.689   6.2789  113.942   10.977 9.747604 12.64572 
1 1 1  -14   18   14 o  221.318   5.6629  335.498   14.942  336.311   17.418  333.229   29.080  222.285   5.7823  220.351   9.7384 1.934052 11.32571 
1 1 1  -14   18   15 o   99.261   6.4770   64.064   8.0109   59.224   9.4516   76.410   15.095   93.134   7.4889  105.388   10.570 -12.25451 12.95404 
1 1 1  -14   18   16 o  109.869   6.3616   82.019   8.6226   81.047   10.233   84.400   16.014  109.005   6.9271  110.734   10.672 -1.729103 12.72314 
1 1 1  -14   18   17 o  139.367   5.9549  133.125   10.094  133.388   11.906  132.451   19.037  139.919   6.2791  138.814   10.120 1.105042 11.90983 
1 1 1  -14   18   18 f  174.931   5.7535  211.188   12.188  213.578   14.371  205.064   23.006  177.087   5.9884  172.775   9.8260 4.312515 11.50698 
1 1 1  -14   18   19 o  152.464   5.9409  161.917   11.080  165.858   13.196  152.498   20.403  156.013   6.2415  148.915   10.110 7.097488 11.88181 
1 1 1  -14   18   20 o  263.605   5.7965  465.527   18.333  454.382   21.311  497.252   35.955  258.249   6.0896  268.962   9.8648 -10.71228 11.59298 
1 1 1  -14   18   21 o  109.565   7.6021   83.249   11.005   85.074   14.172   80.477   17.466  111.310   9.3953  107.820   11.954 3.489616 15.20424 
1 1 1  -14   18   22 o   90.512   10.347   56.432   12.691   56.432   12.691   0.0000   0.0000   90.512   10.347  ?   ?       ?      ? 
1 1 1  -14   18   23 o   62.931   9.7613   29.404   8.0463   33.289   10.207   23.027   13.077   69.447   10.846   56.414   16.233 13.03286 19.52263 
1 1 1  -14   18   24 o   87.628   9.2671   53.179   10.934   56.091   16.588   50.942   14.539   89.635   13.656   85.621   12.531 4.013817 18.53423 
1 1 1  -14   18   25 f   89.598   10.034   60.727   11.112   37.154   16.390   80.777   15.116   70.966   17.218  108.230   10.306 -37.26389 20.06707 
1 1 1  -14   18   26 f  119.701   6.5400   96.972   10.276   92.589   12.883  104.636   17.038  116.231   8.1791  123.172   10.207 -6.940842 13.08002 
1 1 1  -14   18   27 o  153.916   6.1747  163.564   12.350  165.897   15.485  159.484   20.474  155.734   7.3373  152.098   9.9334 3.636139 12.34948 
1 1 1  -14   18   28 o  198.544   5.9208  258.184   15.250  231.028   18.636  313.217   26.530  183.716   7.4857  213.371   9.1754 -29.65535 11.84157 
1 1 1  -14   18   29 o   64.543   9.7378   29.157   8.1829   23.089   10.565   38.255   12.937   56.277   13.928   72.809   13.613 -16.53154 19.47553 
1 1 1  -14   18   30 o  116.294   6.6658   91.783   10.214   87.347   12.876   99.312   16.776  112.762   8.4260  119.826   10.331 -7.064201 13.33162 
1 1 1  -14   18   31 o   71.868   11.009   35.853   10.721   35.853   10.721   0.0000   0.0000   71.868   11.009  ?   ?       ?      ? 
1 1 1  -14   18   32 o   98.149   8.0258   66.152   10.675   66.152   10.675   0.0000   0.0000   98.149   8.0258  ?   ?       ?      ? 
1 1 1  -14   18   33 o  104.823   6.5937   68.438   8.7848   55.863   10.438   98.981   16.267   90.086   8.5500  119.560   10.040 -29.47367 13.18749 
1 1 1  -14   18   34 o  105.898   6.3252   73.932   8.5706   67.614   10.339   87.813   15.324   99.232   7.6885  112.563   10.046 -13.33051 12.65037 
1 1 1  -14   18   35 o   29.848   9.0219  -0.8536   6.3581  -3.8281   8.0396   4.1131   10.389   24.901   11.235   34.795   14.119 -9.893585 18.04372 
1 1 1  -14   18   36 o   68.555   8.6674   34.714   7.4116   37.484   9.2731   29.814   12.332   73.599   9.2976   63.511   14.630 10.08870 17.33483 
1 1 1  -14   18   37 o  115.266   6.0532   87.446   8.9574   79.272   10.831  105.137   15.934  107.402   7.4417  123.131   9.5492 -15.72873 12.10640 
1 1 1  -14   18   38 o   71.155   8.5821   36.955   7.5486   38.519   9.3118   33.958   12.892   74.551   9.2172   67.760   14.480 6.791229 17.16430 
1 1 1  -14   18   39 o   63.332   8.9503   27.786   7.1484   23.970   8.8028   35.175   12.249   57.426   11.709   69.239   13.540 -11.81272 17.90066 
1 1 1  -14   18   40 o   69.438   8.7229   35.052   7.5559   35.875   9.3352   33.490   12.866   71.793   9.5953   67.084   14.570 4.709145 17.44580 
1 1 1  -14   18   41 o  108.940   6.2660   77.905   8.7832   69.148   10.622   96.834   15.617  100.072   7.8329  117.809   9.7825 -17.73660 12.53203 
1 1 1  -14   18   42 o   32.310   9.3672   2.6545   6.5022   0.1972   8.4527   6.2161   10.176   28.486   12.220   36.133   14.200 -7.647316 18.73437 
1 1 1  -14   18   43 o   55.347   10.291   23.313   7.9791   28.559   10.952   17.380   11.648   61.977   13.429   48.718   15.598 13.25820 20.58209 
1 1 1  -14   18   44 o   48.135   10.192   16.310   7.7741   7.0184   10.877   26.013   11.115   37.476   14.696   58.795   14.127 -21.31912 20.38477 
1 1 1  -14   18   45 o   78.043   8.4651   43.483   8.9488   42.420   12.438   44.624   12.885   77.076   11.908   79.010   12.034 -1.934242 16.93010 
1 1 1  -14   18   46 o   48.659   10.749   17.441   8.1574   23.383   11.415   11.238   11.662   55.353   14.891   41.965   15.505 13.38798 21.49758 
1 1 1  -14   18   47 o   75.728   9.1238   41.639   8.7996   24.754   11.715   63.501   13.330   56.775   15.001   94.681   10.389 -37.90648 18.24754 
1 1 1  -14   18   48 o   46.626   10.296   15.992   7.0634   14.960   8.9638   17.681   11.472   44.792   13.585   48.461   15.476 -3.669605 20.59257 
1 1 1  -14   18   49 o   90.264   8.4134   57.034   10.291   57.034   10.291   0.0000   0.0000   90.264   8.4134  ?   ?       ?      ? 
1 1 1  -14   18   50 o   78.413   8.3590   47.653   7.9007   53.647   9.8692   36.959   13.183   87.498   8.3234   69.329   14.499 18.16929 16.71805 
1 1 1  -14   18   51 o   57.257   9.5437   25.939   7.1966   28.807   9.1319   21.239   11.691   62.418   11.208   52.097   15.450 10.32129 19.08748 
1 1 1  -14   18   52 o   39.643   9.7644   9.4245   6.5935   4.1949   8.4443   17.593   10.554   31.545   12.754   47.742   14.789 -16.19760 19.52889 
1 1 1  -14   18   53 o   66.856   8.7875   32.274   7.4111   28.340   9.1694   39.687   12.586   61.632   11.399   72.080   13.377 -10.44799 17.57500 
1 1 1  -14   18   54 o   87.314   7.9655   59.468   8.2864   66.924   10.291   45.725   13.972   97.631   7.7787   76.996   13.903 20.63461 15.93103 
1 1 1  -14   18   55 o   71.761   9.0360   41.134   7.8297   45.432   9.6142   32.669   13.492   79.944   8.8745   63.578   15.743 16.36589 18.07195 
1 1 1  -14   18   56 o   57.038   9.3383   27.693   7.3117   34.767   9.1030   14.831   12.274   69.560   9.6571   44.516   15.986 25.04414 18.67665 
1 1 1  -14   18   57 o   76.057   9.4473   46.106   9.1497   57.840   12.450   32.327   13.492   89.267   10.292   62.847   15.845 26.41926 18.89451 
1 1 1  -14   18   58 o   87.910   7.8771   56.545   9.2470   54.868   12.034   58.962   14.449   86.882   10.221   88.939   11.988 -2.057091 15.75428 
1 1 1  -14   18   59 o   50.725   10.391   21.263   7.9046   26.933   10.512   13.886   11.991   58.342   13.555   43.109   15.754 15.23366 20.78287 
1 1 1  -14   18   60 o   52.283   11.363   21.658   9.1840   32.297   13.846   13.300   12.272   62.038   16.269   42.529   15.867 19.50856 22.72541 
1 1 1  -14   18   61 o   91.666   9.0121   70.703   9.2428   48.556   16.327   81.149   11.212   76.328   16.281  107.005   7.7324 -30.67625 18.02414 
1 1 1  -14   18   62 o   34.883   10.370   4.8303   8.3639   2.2043   12.489   6.9660   11.263   33.701   14.656   36.066   14.676 -2.365112 20.74053 
1 1 1  -14   18   63 o   48.699   16.778   19.990   13.420   19.990   13.420   0.0000   0.0000   48.699   16.778  ?   ?       ?      ? 
1 1 1  -14   18   64 o   66.775   16.031   37.954   14.322   37.954   14.322   0.0000   0.0000   66.775   16.031  ?   ?       ?      ? 
1 1 1  -14   18   65 o   59.352   16.809   31.125   14.133   31.125   14.133   0.0000   0.0000   59.352   16.809  ?   ?       ?      ? 
1 1 1  -14   18   66 o   44.782   16.698   16.654   13.588   16.654   13.588   0.0000   0.0000   44.782   16.698  ?   ?       ?      ? 
1 1 1  -14   18   67 o   44.247   16.615   16.434   13.499   16.434   13.499   0.0000   0.0000   44.247   16.615  ?   ?       ?      ? 
1 1 1  -14   18   68 o   42.113   16.533   14.275   13.781   14.275   13.781   0.0000   0.0000   42.113   16.533  ?   ?       ?      ? 
1 1 1  -14   18   69 o   47.510   16.975   20.914   13.823   20.914   13.823   0.0000   0.0000   47.510   16.975  ?   ?       ?      ? 
1 1 1  -14   19    1 o  118.940   5.7951   98.336   9.2044  106.370   12.357   88.324   13.795  124.624   7.3169  113.255   8.9885 11.36983 11.59014 
1 1 1  -14   19    2 o  139.057   5.6711  136.324   10.367  166.112   14.261  102.938   15.098  155.867   6.7518  122.247   9.1137 33.62042 11.34222 
1 1 1  -14   19    3 o   59.511   12.216   25.546   9.5216   25.546   9.5216   0.0000   0.0000   59.511   12.216  ?   ?       ?      ? 
1 1 1  -14   19    4 o   73.348   8.1263   38.368   7.7529   41.323   10.373   34.629   11.669   77.350   9.8964   69.346   12.892 8.004852 16.25250 
1 1 1  -14   19    5 o  245.035   6.5422  369.021   19.099  326.433   21.761  511.837   39.849  218.335   7.3548  271.735   10.822 -53.40025 13.08437 
1 1 1  -14   19    6 o   79.344   10.831   52.735   9.3266   58.859   10.647   32.532   19.337   92.551   8.4890   66.136   19.929 26.41450 21.66199 
1 1 1  -14   19    7 o   80.941   7.1822   44.455   7.8032   39.002   10.228   52.048   12.070   75.130   10.046   86.753   10.267 -11.62312 14.36442 
1 1 1  -14   19    8 o   69.727   8.4191   35.441   7.5424   42.077   10.201   27.438   11.202   78.095   9.6389   61.359   13.806 16.73651 16.83822 
1 1 1  -14   19    9 o  209.291   5.1175  300.852   14.464  318.265   20.052  281.967   20.883  215.734   6.8589  202.848   7.5969 12.88522 10.23505 
1 1 1  -14   19   10 o   81.979   7.5253   43.042   7.5089   39.045   8.6934   54.786   14.901   75.374   8.5111   88.583   12.413 -13.20955 15.05056 
1 1 1  -14   19   11 o   67.863   8.9877   32.848   7.1509   32.926   8.3528   32.634   13.837   69.167   8.9115   66.559   15.611 2.608170 17.97535 
1 1 1  -14   19   12 o  124.639   6.2525  108.569   9.3638  110.628   11.016  103.208   17.776  127.260   6.3878  122.018   10.750 5.242653 12.50503 
1 1 1  -14   19   13 o  114.096   6.5750   91.812   9.0050   94.415   10.617   85.139   17.000  117.519   6.6667  110.672   11.335 6.847015 13.15005 
1 1 1  -14   19   14 f  140.998   5.9241  132.496   10.100  127.716   11.765  145.887   19.691  136.733   6.3494  145.263   10.003 -8.530289 11.84811 
1 1 1  -14   19   15 f   99.128   7.1312   70.393   8.3966   73.336   9.8826   62.751   15.922  103.509   7.0455   94.748   12.401 8.761124 14.26244 
1 1 1  -14   19   16 o   88.973   8.3535   63.598   8.1270   73.705   9.7329   40.322   14.770  103.781   6.9206   74.166   15.206 29.61462 16.70701 
1 1 1  -14   19   17 o   99.077   6.7264   67.348   8.2177   66.733   9.7596   68.845   15.233   98.688   7.2977   99.466   11.301 -0.7782059 13.45278 
1 1 1  -14   19   18 o  106.675   6.3982   74.955   8.4748   70.127   9.9943   87.311   15.989  101.158   7.2907  112.191   10.516 -11.03328 12.79645 
1 1 1  -14   19   19 o  156.550   5.6901  161.790   10.937  153.387   12.825  184.207   20.946  149.807   6.3173  163.293   9.4657 -13.48566 11.38014 
1 1 1  -14   19   20 o   57.668   10.766   24.303   8.4814   22.545   11.249   26.619   12.911   55.376   14.733   59.959   15.704 -4.583042 21.53261 
1 1 1  -14   19   21 o  125.573   6.6601  106.689   11.142   97.223   14.272  121.467   17.831  118.730   8.8703  132.415   9.9370 -13.68475 13.32016 
1 1 1  -14   19   22 o   86.363   8.0076   56.131   7.9422   60.925   9.4820   44.859   14.539   94.224   7.4260   78.501   14.189 15.72272 16.01520 
1 1 1  -14   19   23 o  134.795   5.8969  120.858   9.7447  115.415   11.432  135.327   18.639  129.864   6.4958  139.725   9.8437 -9.860611 11.79380 
1 1 1  -14   19   24 o   55.589   9.2257   24.600   6.8607   29.801   8.3459   13.761   12.048   65.619   9.3856   45.560   15.886 20.05894 18.45139 
1 1 1  -14   19   25 o  127.119   6.2149  113.403   9.6772  115.997   11.537  107.246   17.773  130.148   6.5416  124.090   10.569 6.057785 12.42990 
1 1 1  -14   19   26 o   78.830   8.6649   48.319   7.8584   54.233   9.4789   35.318   14.053   88.761   7.8805   68.899   15.434 19.86137 17.32990 
1 1 1  -14   19   27 o   30.080   12.291   2.6943   7.9403   2.6943   7.9403   0.0000   0.0000   30.080   12.291  ?   ?       ?      ? 
1 1 1  -14   19   28 o   79.562   10.937   44.289   11.792   44.289   11.792   0.0000   0.0000   79.562   10.937  ?   ?       ?      ? 
1 1 1  -14   19   29 o   61.509   13.620   27.917   11.053   27.917   11.053   0.0000   0.0000   61.509   13.620  ?   ?       ?      ? 
1 1 1  -14   19   30 o   99.059   6.8703   68.300   8.4382   68.288   10.089   68.326   15.394   99.585   7.4761   98.533   11.529 1.052460 13.74052 
1 1 1  -14   19   31 o   50.540   9.9531   18.105   6.7783   16.225   8.3093   21.845   11.719   46.998   12.731   54.083   15.302 -7.085060 19.90613 
1 1 1  -14   19   32 o  124.415   5.8724   99.890   9.2644   88.089   11.030  128.159   17.072  113.111   7.1958  135.719   9.2822 -22.60754 11.74476 
1 1 1  -14   19   33 o   48.709   10.385   17.397   7.7577   23.392   10.648   10.615   11.325   55.946   14.061   41.472   15.287 14.47441 20.77057 
1 1 1  -14   19   34 o   31.638   9.4264   0.8330   7.0908  -3.8492   10.068   5.4412   9.9882   28.109   12.638   35.167   13.989 -7.058657 18.85270 
1 1 1  -14   19   35 o   46.103   9.0579   12.961   7.1598  -1.2729   9.8244   29.085   10.456   29.426   12.893   62.779   12.726 -33.35310 18.11577 
1 1 1  -14   19   36 f   48.029   10.298   16.931   7.6140   23.014   10.557   10.336   10.992   55.300   14.057   40.758   15.054 14.54183 20.59651 
1 1 1  -14   19   37 o   59.474   9.9862   26.456   7.9470   22.292   10.818   31.337   11.712   54.279   14.451   64.669   13.786 -10.38960 19.97232 
1 1 1  -14   19   38 o   40.858   10.283   10.011   7.4593   4.2450   10.144   16.801   11.007   34.080   13.905   47.635   15.153 -13.55504 20.56598 
1 1 1  -14   19   39 o   48.191   10.711   17.242   7.7677   16.061   10.455   18.698   11.606   46.566   14.763   49.816   15.521 -3.250458 21.42112 
1 1 1  -14   19   40 o   44.101   10.523   13.567   7.5642   9.7427   10.342   17.967   11.092   39.381   14.591   48.820   15.168 -9.438629 21.04653 
1 1 1  -14   19   41 f   50.405   9.6445   16.601   6.6779   10.331   8.1255   29.647   11.722   38.481   13.060   62.329   14.195 -23.84748 19.28907 
1 1 1  -14   19   42 o   48.252   9.9155   16.870   6.6711   14.317   8.3242   21.454   11.153   43.779   13.050   52.725   14.932 -8.946571 19.83100 
1 1 1  -14   19   43 o   41.884   10.021   12.656   6.6543   13.290   8.3359   11.541   11.048   42.317   13.149   41.451   15.126 0.8665047 20.04272 
1 1 1  -14   19   44 o   29.937   8.9829   1.5071   6.3639   4.0862   8.0258  -2.8608   10.444   31.007   12.470   28.868   12.934 2.139561 17.96588 
1 1 1  -14   19   45 o   34.650   13.154   7.0848   8.5160   7.0848   8.5160   0.0000   0.0000   34.650   13.154  ?   ?       ?      ? 
1 1 1  -14   19   46 o   81.832   8.7591   47.308   9.7132   47.308   9.7132   0.0000   0.0000   81.832   8.7591  ?   ?       ?      ? 
1 1 1  -14   19   47 o   44.280   10.275   14.731   6.9372   14.719   8.6109   14.753   11.710   43.940   13.312   44.620   15.656 -0.6809387 20.55014 
1 1 1  -14   19   48 o   62.377   9.4719   29.465   7.3903   28.333   9.0057   31.801   12.932   61.623   11.197   63.130   15.281 -1.506763 18.94371 
1 1 1  -14   19   49 o   41.639   9.3394   12.884   7.0568   21.069   8.7894  -1.9627   11.838   52.315   12.557   30.962   13.828 21.35249 18.67882 
1 1 1  -14   19   50 o  116.956   6.7902  102.426   9.7472  109.947   11.853   86.714   17.131  125.434   6.9731  108.479   11.654 16.95449 13.58043 
1 1 1  -14   19   51 o   91.044   7.4929   62.278   8.4752   66.024   10.363   54.713   14.727   96.719   7.9067   85.369   12.730 11.35062 14.98590 
1 1 1  -14   19   52 o   83.681   7.3661   48.908   7.8159   45.297   9.3806   57.108   14.135   79.724   8.6828   87.639   11.902 -7.914963 14.73227 
1 1 1  -14   19   53 o   40.050   10.162   10.836   6.6709   8.7365   8.1215   15.191   11.696   35.711   12.978   44.389   15.641 -8.678337 20.32407 
1 1 1  -14   19   54 o   51.531   10.676   21.726   7.8873   22.296   10.266   20.906   12.322   52.686   14.101   50.375   16.034 2.311752 21.35191 
1 1 1  -14   19   55 o   62.081   10.248   31.156   8.3646   31.298   10.870   30.950   13.098   63.133   13.133   61.028   15.736 2.104736 20.49638 
1 1 1  -14   19   56 o   38.437   10.548   9.3203   7.7384   7.3194   9.9892   12.323   12.237   35.415   14.021   41.458   15.762 -6.043392 21.09546 
1 1 1  -14   19   57 o   48.525   11.478   19.497   9.2301   12.844   13.531   25.287   12.623   42.367   16.452   54.683   16.010 -12.31629 22.95676 
1 1 1  -14   19   58 o   38.713   11.006   9.1302   8.9207   6.1226   13.055   11.765   12.218   36.740   15.448   40.686   15.680 -3.946613 22.01164 
1 1 1  -14   19   59 f   50.020   10.313   19.325   9.0630   1.3928   13.003   36.266   12.639   33.462   14.742   66.577   14.425 -33.11523 20.62567 
1 1 1  -14   19   60 o   58.781   17.070   30.712   14.402   30.712   14.402   0.0000   0.0000   58.781   17.070  ?   ?       ?      ? 
1 1 1  -14   19   61 o   35.889   15.189   5.9412   12.754   5.9412   12.754   0.0000   0.0000   35.889   15.189  ?   ?       ?      ? 
1 1 1  -14   19   62 o   41.394   16.016   13.239   12.785   13.239   12.785   0.0000   0.0000   41.394   16.016  ?   ?       ?      ? 
1 1 1  -14   19   63 o   34.414   14.896   4.3375   12.781   4.3375   12.781   0.0000   0.0000   34.414   14.896  ?   ?       ?      ? 
1 1 1  -14   19   64 f   45.315   16.726   18.267   13.565   18.267   13.565   0.0000   0.0000   45.315   16.726  ?   ?       ?      ? 
1 1 1  -14   20    1 o   41.117   9.8535   11.406   6.3649   11.155   7.9582   11.852   10.603   39.913   12.905   42.321   14.894 -2.407261 19.70708 
1 1 1  -14   20    2 o  132.494   5.4249  121.600   9.5980  124.403   12.635  117.777   14.758  134.521   6.9313  130.467   8.3472 4.053558 10.84982 
1 1 1  -14   20    3 o   45.965   9.7305   14.806   6.4080   12.523   8.1387   18.530   10.394   41.856   12.991   50.074   14.490 -8.217255 19.46091 
1 1 1  -14   20    4 o   76.596   7.1361   41.326   7.2765   43.179   9.5818   38.803   11.184   78.882   8.9637   74.311   11.106 4.571022 14.27217 
1 1 1  -14   20    5 o   36.272   9.5614   7.5910   6.2289   8.1602   8.0073   6.7187   9.9125   36.113   12.918   36.431   14.100 -0.3185310 19.12290 
1 1 1  -14   20    6 o   99.166   6.2881   69.454   8.2620   76.214   10.971   60.596   12.558  105.130   7.7005   93.202   9.9431 11.92829 12.57627 
1 1 1  -14   20    7 o   83.470   6.9019   49.418   7.6189   53.668   10.042   43.653   11.696   88.072   8.4138   78.868   10.943 9.204468 13.80387 
1 1 1  -14   20    8 o   93.557   6.4448   61.180   8.0742   63.830   10.779   57.791   12.188   96.080   8.2783   91.035   9.8798 5.045143 12.88961 
1 1 1  -14   20    9 o   37.658   9.7938   7.9702   6.5432   5.4545   8.5514   11.523   10.163   33.614   13.072   41.702   14.587 -8.088486 19.58751 
1 1 1  -14   20   10 o   66.381   8.9883   33.509   6.8816   35.370   8.0252   28.341   13.375   71.517   8.2807   61.246   15.956 10.27116 17.97667 
1 1 1  -14   20   11 o   38.738   9.7987   9.6555   6.1496   10.756   7.1528   6.5377   12.041   38.990   12.191   38.485   15.344 0.5050621 19.59743 
1 1 1  -14   20   12 o  140.554   5.8111  131.844   9.7259  126.868   11.230  146.779   19.456  136.071   6.0901  145.037   9.8989 -8.966202 11.62227 
1 1 1  -14   20   13 o   46.717   8.7997   17.803   6.4028   23.863   7.4993   1.5027   12.298   58.549   9.4518   34.884   14.846 23.66542 17.59935 
1 1 1  -14   20   14 o   74.219   8.9248   44.773   7.3443   50.503   8.6496   29.969   13.903   85.601   7.4565   62.836   16.218 22.76493 17.84967 
1 1 1  -14   20   15 o   38.366   10.138   6.8553   7.2448   1.7331   9.3784   14.436   11.409   31.181   13.101   45.550   15.475 -14.36909 20.27611 
1 1 1  -14   20   16 o   45.283   10.587   13.265   7.5674   8.6687   9.6861   20.466   12.123   38.144   14.123   52.422   15.776 -14.27857 21.17396 
1 1 1  -14   20   17 o   48.063   10.040   16.086   6.4768   14.800   7.6341   19.391   12.236   44.914   12.218   51.211   15.934 -6.297314 20.07929 
1 1 1  -14   20   18 o   50.943   9.8684   18.843   6.4903   18.514   7.5969   19.732   12.488   50.285   11.410   51.601   16.104 -1.315426 19.73678 
1 1 1  -14   20   19 o   79.039   8.3766   47.264   7.4943   50.135   8.8159   39.785   14.231   85.200   7.6356   72.877   14.912 12.32307 16.75317 
1 1 1  -14   20   20 o   97.127   6.6914   63.175   7.9026   59.977   9.2163   72.055   15.358   93.252   7.2932  101.002   11.221 -7.750168 13.38272 
1 1 1  -14   20   21 o   54.516   9.5809   19.057   6.5699   14.284   7.7105   31.706   12.552   44.100   12.390   64.932   14.617 -20.83192 19.16181 
1 1 1  -14   20   22 o   69.430   9.0112   37.175   7.1879   39.626   8.4280   30.635   13.766   75.582   8.2285   63.278   16.034 12.30406 18.02248 
1 1 1  -14   20   23 o   67.103   9.3151   31.458   8.4706   31.458   8.4706   0.0000   0.0000   67.103   9.3151  ?   ?       ?      ? 
1 1 1  -14   20   24 o   86.950   7.7185   52.344   9.0947   52.344   9.0947   0.0000   0.0000   86.950   7.7185  ?   ?       ?      ? 
1 1 1  -14   20   25 o   32.033   9.1625   1.3577   6.0752  -2.8139   7.4323   9.7571   10.546   24.291   10.895   39.774   14.734 -15.48290 18.32493 
1 1 1  -14   20   26 o   42.362   9.8367   10.558   6.3844   6.0548   7.7396   20.148   11.294   33.105   12.547   51.619   15.153 -18.51478 19.67335 
1 1 1  -14   20   27 o   91.225   7.1005   60.939   7.9435   64.754   9.6052   52.684   14.129   96.739   7.3269   85.710   12.165 11.02891 14.20095 
1 1 1  -14   20   28 o   82.563   7.1237   44.954   7.5198   39.282   9.0211   57.870   13.613   74.951   8.8817   90.175   11.140 -15.22375 14.24737 
1 1 1  -14   20   29 o   37.191   8.7473   7.8213   6.4985   17.213   8.1590  -8.4736   10.747   47.990   12.442   26.393   12.298 21.59640 17.49466 
1 1 1  -14   20   30 o  149.889   5.8501  154.436   10.810  151.274   12.808  162.264   20.154  148.129   6.3808  151.649   9.8071 -3.520279 11.70015 
1 1 1  -14   20   31 o   35.969   9.5941   4.9095   6.3307   0.2422   7.7168   14.516   11.071   27.108   11.653   44.830   15.244 -17.72177 19.18813 
1 1 1  -14   20   32 o   45.987   9.6313   16.313   6.4513   18.536   8.0272   12.259   10.842   49.754   12.037   42.219   15.039 7.534592 19.26251 
1 1 1  -14   20   33 o   40.105   9.4963   11.646   6.3732   15.354   7.9285   4.8742   10.714   45.210   12.515   35.000   14.286 10.21023 18.99261 
1 1 1  -14   20   34 o   83.973   7.1837   46.841   7.7083   40.816   9.2408   60.626   13.977   76.138   8.9562   91.807   11.234 -15.66929 14.36736 
1 1 1  -14   20   35 o   68.247   9.6519   35.442   8.6257   37.471   11.338   32.654   13.290   71.952   11.629   64.542   15.408 7.409828 19.30375 
1 1 1  -14   20   36 o   42.296   14.727   12.825   10.353   12.825   10.353   0.0000   0.0000   42.296   14.727  ?   ?       ?      ? 
1 1 1  -14   20   37 o   77.895   10.964   43.780   11.574   43.780   11.574   0.0000   0.0000   77.895   10.964  ?   ?       ?      ? 
1 1 1  -14   20   38 o   51.508   9.2005   22.485   7.0951   29.682   8.6421   7.6022   12.427   64.451   9.8947   38.565   15.514 25.88620 18.40094 
1 1 1  -14   20   39 o   60.983   9.2770   27.498   7.0367   25.603   8.5026   31.619   12.536   58.630   11.108   63.336   14.861 -4.705814 18.55403 
1 1 1  -14   20   40 o   84.330   7.1777   50.045   7.6528   48.141   9.2253   54.247   13.704   82.643   8.2374   86.017   11.757 -3.374321 14.35532 
1 1 1  -14   20   41 o   34.824   9.3978   1.0114   6.2867  -5.5717   7.4266   17.655   11.809   22.101   10.273   47.546   15.739 -25.44485 18.79559 
1 1 1  -14   20   42 o   45.609   12.584   16.019   8.0311   16.019   8.0311   0.0000   0.0000   45.609   12.584  ?   ?       ?      ? 
1 1 1  -14   20   43 o   54.726   9.3636   24.510   6.9099   28.140   8.4784   17.328   11.925   62.447   10.019   47.006   15.822 15.44038 18.72725 
1 1 1  -14   20   44 o   80.732   7.4640   45.063   7.6643   40.875   9.1937   54.605   13.877   75.671   8.9657   85.794   11.936 -10.12305 14.92799 
1 1 1  -14   20   45 o   31.652   9.1272   4.0795   6.3459   7.4387   7.8658  -2.1832   10.740   34.055   12.703   29.249   13.109 4.805845 18.25447 
1 1 1  -14   20   46 o   57.221   9.6953   26.472   7.1349   27.785   8.6806   23.737   12.527   60.821   10.934   53.622   16.014 7.198986 19.39068 
1 1 1  -14   20   47 o   32.920   9.2679   5.4246   6.4341   8.9950   7.9929  -1.1484   10.845   35.907   12.900   29.933   13.311 5.973839 18.53589 
1 1 1  -14   20   48 o   37.525   9.9387   9.5528   6.6127   10.001   8.0860   8.6468   11.490   37.146   13.011   37.903   15.028 -0.7567253 19.87732 
1 1 1  -14   20   49 o   42.147   9.5950   9.4318   6.4906   2.0785   7.8132   25.807   11.659   28.255   11.919   56.040   15.039 -27.78500 19.18997 
1 1 1  -14   20   50 o   45.879   10.686   17.039   7.7209   18.340   10.289   15.363   11.680   47.551   14.582   44.207   15.624 3.343613 21.37160 
1 1 1  -14   20   51 o   45.195   11.411   16.366   8.9553   12.651   13.705   19.134   11.830   42.281   16.519   48.110   15.745 -5.828983 22.82123 
1 1 1  -14   20   52 o   85.806   9.5979   58.093   10.773   55.334   16.139   60.310   14.469   82.379   15.010   89.234   11.966 -6.854858 19.19571 
1 1 1  -14   20   53 o   38.486   10.853   9.4362   8.5882   5.9989   13.429   11.815   11.172   36.833   15.587   40.139   15.106 -3.306362 21.70621 
1 1 1  -14   20   54 o   28.392   9.2369  -4.6558   8.0579  -2.8808   12.414  -5.9482   10.593   30.330   13.795   26.454   12.288 3.875263 18.47381 
1 1 1  -14   20   55 o   30.593   9.6112  -0.1929   8.0431  -4.5357   12.525   2.8547   10.492   29.493   13.579   31.693   13.606 -2.199703 19.22246 
1 1 1  -14   20   56 o   53.552   17.451   26.159   14.538   26.159   14.538   0.0000   0.0000   53.552   17.451  ?   ?       ?      ? 
1 1 1  -14   20   57 o   50.813   17.339   23.618   14.324   23.618   14.324   0.0000   0.0000   50.813   17.339  ?   ?       ?      ? 
1 1 1  -14   20   58 o   44.728   16.524   17.327   13.245   17.327   13.245   0.0000   0.0000   44.728   16.524  ?   ?       ?      ? 
1 1 1  -14   20   59 o   47.956   16.822   21.157   13.520   21.157   13.520   0.0000   0.0000   47.956   16.822  ?   ?       ?      ? 
1 1 1  -14   21    1 o   50.816   9.3047   20.170   6.4812   23.031   8.2770   15.634   10.420   55.806   11.332   45.825   14.762 9.981499 18.60937 
1 1 1  -14   21    2 o   46.678   9.6021   16.175   6.3135   15.266   8.0423   17.636   10.192   45.132   12.644   48.225   14.454 -3.092705 19.20423 
1 1 1  -14   21    3 o   48.978   9.5527   17.356   6.4330   14.198   8.1553   22.558   10.466   43.649   12.894   54.306   14.098 -10.65608 19.10538 
1 1 1  -14   21    4 o   58.436   8.8959   25.425   6.7248   24.804   8.6654   26.365   10.663   57.949   11.441   58.923   13.626 -0.9739342 17.79172 
1 1 1  -14   21    5 o   45.387   9.7983   15.027   6.4858   13.189   8.3659   17.797   10.268   42.322   13.177   48.453   14.505 -6.130783 19.59651 
1 1 1  -14   21    6 o   75.378   7.0629   39.681   7.1338   36.803   9.2954   43.804   11.127   72.254   9.4935   78.502   10.460 -6.247978 14.12572 
1 1 1  -14   21    7 o   35.227   9.1856   5.7048   5.9831   0.7292   7.6691   13.442   9.5638   27.447   11.703   43.008   14.161 -15.56026 18.37122 
1 1 1  -14   21    8 f   60.110   8.2989   24.640   6.5848   13.185   8.3932   42.978   10.619   42.326   13.201   77.895   10.060 -35.56820 16.59776 
1 1 1  -14   21    9 o   38.700   10.394   8.3356   7.2450   6.4388   8.9793   11.874   12.264   34.673   13.420   42.726   15.877 -8.052696 20.78891 
1 1 1  -14   21   10 o   47.584   10.538   13.776   7.5253   7.2035   9.1219   27.780   13.315   35.608   13.591   59.560   16.108 -23.95195 21.07608 
1 1 1  -14   21   11 o   33.362   9.8655   1.8032   7.1949  -1.2937   8.8838   7.7070   12.266   27.729   12.202   38.996   15.506 -11.26654 19.73108 
1 1 1  -14   21   12 o   49.010   9.6189   19.011   6.2883   20.706   7.2729   13.991   12.516   53.155   10.469   44.865   16.140 8.290936 19.23777 
1 1 1  -14   21   13 o   47.978   9.1475   19.194   6.4188   23.496   7.3925   6.0118   12.939   57.717   9.4516   38.239   15.664 19.47781 18.29504 
1 1 1  -14   21   14 o   85.664   7.2881   50.118   7.4075   47.996   8.5397   56.566   14.887   83.066   7.5864   88.263   12.446 -5.196991 14.57625 
1 1 1  -14   21   15 o   46.018   10.052   15.679   6.3814   15.889   7.3755   15.053   12.727   46.099   11.767   45.938   16.302 0.1606674 20.10460 
1 1 1  -14   21   16 o   68.898   8.4004   31.678   6.7647   28.406   7.7721   41.905   13.739   63.538   9.0265   74.258   14.170 -10.71993 16.80080 
1 1 1  -14   21   17 o   49.543   9.1530   20.636   6.5878   25.548   7.7095   7.3426   12.682   60.134   9.4608   38.953   15.672 21.18041 18.30600 
1 1 1  -14   21   18 o  136.536   6.0677  128.562   11.227  128.562   11.227   0.0000   0.0000  136.536   6.0677  ?   ?       ?      ? 
1 1 1  -14   21   19 o   36.918   12.140   9.6961   7.0296   9.6961   7.0296   0.0000   0.0000   36.918   12.140  ?   ?       ?      ? 
1 1 1  -14   21   20 o   57.095   9.3891   23.502   6.4182   22.083   7.4233   27.706   12.773   54.861   10.365   59.330   15.659 -4.468376 18.77829 
1 1 1  -14   21   21 o   41.299   9.8173   12.227   6.1136   12.589   7.1754   11.270   11.678   41.109   12.081   41.490   15.478 -0.3803635 19.63467 
1 1 1  -14   21   22 o   81.161   7.1110   39.739   7.0595   31.237   8.1197   66.069   14.288   66.521   9.0074   95.801   11.006 -29.27985 14.22200 
1 1 1  -14   21   23 o   25.371   8.0666  -2.2591   5.5777   0.4352   6.5663  -9.2410   10.570   25.216   10.792   25.526   11.992 -0.3096313 16.13320 
1 1 1  -14   21   24 o   39.918   9.6697   7.7225   6.0792   2.8425   7.1341   20.662   11.617   28.482   11.645   51.355   15.440 -22.87358 19.33935 
1 1 1  -14   21   25 o   54.562   9.6294   23.414   6.6526   24.342   7.8341   21.013   12.597   57.508   10.437   51.616   16.185 5.892246 19.25873 
1 1 1  -14   21   26 o   25.613   8.2799  -5.4942   5.8056  -8.0620   6.9060   0.6936   10.720   19.737   9.3964   31.488   13.636 -11.75088 16.55982 
1 1 1  -14   21   27 o   37.629   9.8113   9.2774   6.3047   9.7569   7.5485   8.1713   11.465   37.061   12.588   38.197   15.053 -1.135490 19.62252 
1 1 1  -14   21   28 o   63.195   8.5273   24.866   6.7327   16.140   7.9363   47.271   12.716   45.974   12.437   80.416   11.669 -34.44175 17.05453 
1 1 1  -14   21   29 o   34.015   9.6166   4.6239   6.2860   2.2978   7.5415   9.9182   11.378   28.416   11.830   39.614   15.165 -11.19805 19.23320 
1 1 1  -14   21   30 o   45.375   9.9257   15.504   6.4469   14.820   7.8579   16.914   11.276   44.031   12.556   46.720   15.376 -2.689472 19.85146 
1 1 1  -14   21   31 o   43.625   10.617   14.000   7.5670   11.816   10.060   16.846   11.484   40.648   14.485   46.603   15.526 -5.954380 21.23427 
1 1 1  -14   21   32 o   42.383   9.5026   10.435   6.3085   3.9240   7.7019   23.708   10.997   30.160   12.185   54.606   14.585 -24.44560 19.00520 
1 1 1  -14   21   33 o   33.385   8.8652   6.1083   6.0745   11.468   7.4427  -4.5860   10.513   39.151   12.461   27.618   12.613 11.53300 17.73037 
1 1 1  -14   21   34 o   42.160   9.7444   11.717   6.2144   7.7153   7.5588   20.063   10.916   34.216   12.508   50.104   14.946 -15.88789 19.48881 
1 1 1  -14   21   35 o   25.016   7.9562  -3.3684   5.8789   1.3422   7.3371 -11.8164   9.8256   27.069   11.492   22.962   11.006 4.107441 15.91232 
1 1 1  -14   21   36 o   32.619   9.3313   4.0187   6.1336   1.5210   7.5300   8.9434   10.574   27.496   11.656   37.742   14.575 -10.24639 18.66268 
1 1 1  -14   21   37 o   36.046   9.1500   8.4137   6.5225   14.426   7.8598  -4.8833   11.689   43.174   12.631   28.918   13.242 14.25583 18.30004 
1 1 1  -14   21   38 o   59.990   10.980   27.091   8.5973   27.091   8.5973   0.0000   0.0000   59.990   10.980  ?   ?       ?      ? 
1 1 1  -14   21   39 o   51.892   9.9662   19.839   6.8102   16.286   8.1975   27.754   12.235   45.617   12.761   58.166   15.312 -12.54851 19.93246 
1 1 1  -14   21   40 o   37.473   10.207   8.3087   7.3234   4.8523   9.5937   13.135   11.337   32.913   13.486   42.033   15.325 -9.119690 20.41401 
1 1 1  -14   21   41 o   40.937   10.675   11.988   7.6655   10.740   9.8224   13.932   12.260   38.810   14.247   43.064   15.900 -4.254368 21.34908 
1 1 1  -14   21   42 o  109.316   7.0624   83.338   10.154   72.027   12.636  103.949   17.058   99.802   9.3432  118.831   10.593 -19.02923 14.12472 
1 1 1  -14   21   43 o   54.176   11.034   23.821   8.3335   21.264   10.515   28.138   13.665   51.007   14.517   57.345   16.620 -6.338192 22.06778 
1 1 1  -14   21   44 o   71.240   17.441   44.059   16.701   44.059   16.701   0.0000   0.0000   71.240   17.441  ?   ?       ?      ? 
1 1 1  -14   21   45 o   59.644   17.852   31.701   15.555   31.701   15.555   0.0000   0.0000   59.644   17.852  ?   ?       ?      ? 
1 1 1  -14   21   46 o   29.922   9.0822  -0.7304   7.3097   7.7514   9.6507 -12.1450   11.196   35.296   13.842   24.548   11.762 10.74819 18.16440 
1 1 1  -14   21   47 o   50.139   11.364   19.612   9.0700   32.388   14.275   10.963   11.745   60.783   16.780   39.495   15.331 21.28809 22.72894 
1 1 1  -14   21   48 o   39.481   10.826   10.481   8.7610   2.4853   13.383   16.476   11.589   34.288   15.035   44.674   15.580 -10.38614 21.65151 
1 1 1  -14   21   49 o   32.313   9.9720   0.1528   8.1661   8.6969   13.160  -5.1966   10.413   38.144   15.731   26.481   12.259 11.66224 19.94400 
1 1 1  -14   21   50 o   44.234   11.421   14.458   9.1208   25.202   14.335   7.1504   11.822   52.550   17.339   35.917   14.870 16.63298 22.84220 
1 1 1  -14   21   51 o   61.372   11.630   34.731   10.176   26.185   15.364   41.411   13.583   52.748   17.958   69.997   14.783 -17.24981 23.26012 
1 1 1  -14   21   52 o   29.804   9.5021  -2.3909   8.0495   4.5650   12.586  -7.2054   10.471   34.309   14.816   25.299   11.901 9.009531 19.00417 
1 1 1  -14   22    1 o   64.983   9.4384   32.713   8.0244   32.512   11.649   32.894   11.070   64.558   13.737   65.409   12.947 -0.8515854 18.87684 
1 1 1  -14   22    2 o   64.671   9.5915   34.324   8.4244   17.761   12.444   48.338   11.446   47.602   16.162   81.739   10.334 -34.13690 19.18304 
1 1 1  -14   22    3 o   49.680   14.549   19.532   10.423   0.0000   0.0000   19.532   10.423  ?   ?    49.680   14.549      ?      ? 
1 1 1  -14   22    4 o   54.475   14.207   23.461   10.596   0.0000   0.0000   23.461   10.596  ?   ?    54.475   14.207      ?      ? 
1 1 1  -14   22    5 o   87.893   7.3753   55.744   8.7700   59.430   12.851   52.531   11.998   90.583   10.469   85.204   10.391 5.379158 14.75064 
1 1 1  -14   22    6 o   68.446   9.1385   35.912   8.1540   35.340   11.832   36.430   11.253   67.639   13.382   69.252   12.449 -1.613213 18.27699 
1 1 1  -14   22    7 o   39.871   10.013   10.968   6.9940   6.5725   9.9150   15.321   9.8672   35.150   13.952   44.591   14.364 -9.440811 20.02503 
1 1 1  -14   22    8 o   85.354   8.6766   53.705   9.8765   52.177   12.821   55.934   15.489   84.487   11.198   86.221   13.257 -1.733490 17.35328 
1 1 1  -14   22    9 o   79.781   9.1553   50.528   8.4190   53.905   10.023   42.438   15.514   87.244   8.4779   72.318   16.230 14.92605 18.31051 
1 1 1  -14   22   10 o   55.102   10.417   22.801   7.3237   20.869   8.6115   27.849   13.922   52.110   12.378   58.094   16.758 -5.983459 20.83405 
1 1 1  -14   22   11 o   38.168   10.334   6.8741   6.7716   3.6052   7.8645   16.245   13.316   30.037   12.248   46.299   16.648 -16.26223 20.66806 
1 1 1  -14   22   12 o   81.182   8.5707   43.527   8.3449   38.044   9.5484   61.258   17.171   72.799   9.6787   89.565   14.147 -16.76598 17.14136 
1 1 1  -14   22   13 o   54.675   12.146   22.864   8.7655   22.864   8.7655   0.0000   0.0000   54.675   12.146  ?   ?       ?      ? 
1 1 1  -14   22   14 o   63.750   10.284   29.402   8.8846   29.402   8.8846   0.0000   0.0000   63.750   10.284  ?   ?       ?      ? 
1 1 1  -14   22   15 o   73.672   9.2948   41.451   8.1260   41.615   9.6331   41.048   15.131   76.264   9.3210   71.080   16.084 5.183670 18.58969 
1 1 1  -14   22   16 o   60.637   9.8293   23.778   7.5212   15.260   8.8312   46.273   14.351   44.394   13.488   76.880   14.301 -32.48610 19.65855 
1 1 1  -14   22   17 o   91.827   7.8646   60.529   8.9152   58.785   10.581   64.798   16.554   90.981   8.5817   92.673   13.182 -1.691666 15.72915 
1 1 1  -14   22   18 o   38.139   10.254   9.1288   6.9553   8.3922   8.4335   10.695   12.298   35.672   13.184   40.606   15.708 -4.934250 20.50780 
1 1 1  -14   22   19 o   74.906   8.3181   39.040   8.1273   32.823   9.9739   51.324   14.021   66.966   10.991   82.847   12.489 -15.88171 16.63618 
1 1 1  -14   22   20 o   43.826   10.023   15.294   7.2954   20.206   9.0238   6.0267   12.395   50.854   13.034   36.797   15.229 14.05766 20.04554 
1 1 1  -14   22   21 o   71.966   9.4881   45.039   8.3205   56.436   10.432   25.109   13.795   89.040   8.6454   54.892   16.892 34.14763 18.97618 
1 1 1  -14   22   22 o   54.323   10.018   24.802   7.5075   28.611   9.2826   17.599   12.765   61.459   11.570   47.188   16.357 14.27140 20.03578 
1 1 1  -14   22   23 o   52.860   9.5068   17.966   7.3025   6.9233   8.9744   39.604   12.563   34.430   13.391   71.291   13.498 -36.86106 19.01366 
1 1 1  -14   22   24 o   53.121   10.526   22.616   7.6176   22.332   9.3423   23.178   13.159   53.381   13.029   52.860   16.537 0.5205116 21.05266 
1 1 1  -14   22   25 o   51.518   10.599   21.238   7.6530   20.514   9.5929   22.506   12.693   50.845   13.640   52.190   16.227 -1.345039 21.19841 
1 1 1  -14   22   26 o   49.565   11.771   19.906   9.2694   22.261   14.108   18.116   12.296   51.646   17.209   47.484   16.066 4.162128 23.54263 
1 1 1  -14   22   27 o   66.493   11.179   35.815   9.8548   41.753   15.179   31.488   12.957   71.067   16.131   61.918   15.482 9.148869 22.35852 
1 1 1  -14   22   28 o   37.951   10.007   9.8158   7.0910   12.973   9.1031   4.9433   11.308   41.187   13.824   34.714   14.471 6.473633 20.01305 
1 1 1  -14   22   29 o   34.022   9.7535   5.2117   6.9089   2.7648   8.9018   8.9187   10.957   30.302   12.750   37.743   14.764 -7.441730 19.50697 
1 1 1  -14   22   30 o   44.694   10.130   16.109   7.3970   21.239   9.5542   8.4324   11.687   51.597   13.506   37.792   15.101 13.80543 20.25961 
1 1 1  -14   22   31 o   31.120   9.2713   2.4615   6.9029   6.5767   9.0678  -3.2101   10.645   33.940   13.384   28.299   12.834 5.641056 18.54254 
1 1 1  -14   22   32 o   37.282   9.3230   4.3257   6.8964  -6.5399   8.8395   21.228   11.025   23.746   11.095   50.818   14.986 -27.07207 18.64603 
1 1 1  -14   22   33 o   26.841   11.989  -1.6066   8.9015  -1.6066   8.9015   0.0000   0.0000   26.841   11.989  ?   ?       ?      ? 
1 1 1  -14   22   34 o   33.096   13.359   5.6390   9.2480   5.6390   9.2480   0.0000   0.0000   33.096   13.359  ?   ?       ?      ? 
1 1 1  -14   22   35 o   34.308   9.7973   6.2622   6.9526   5.8265   9.0736   6.8819   10.820   33.063   13.272   35.553   14.415 -2.490871 19.59453 
1 1 1  -14   22   36 f   31.323   9.4467   2.6516   7.1112   4.6658   9.5181   0.1069   10.699   32.391   13.371   30.255   13.348 2.135271 18.89331 
1 1 1  -14   22   37 o   43.112   10.378   14.459   7.2837   11.239   9.7450   18.534   10.964   38.944   14.207   47.280   15.132 -8.336285 20.75634 
1 1 1  -14   22   38 o   28.498   8.7214  -2.3873   6.9967   7.1367   9.2483 -15.1336   10.699   34.316   13.521   22.679   11.019 11.63685 17.44276 
1 1 1  -14   22   39 o   44.577   10.185   16.107   7.7402   23.730   10.328   6.3409   11.690   53.633   14.045   35.521   14.753 18.11258 20.36904 
1 1 1  -14   22   40 o   34.007   9.9254   5.4304   7.4138   2.8685   9.9388   8.6442   11.132   31.113   13.296   36.901   14.740 -5.788143 19.85073 
1 1 1  -14   22   41 o   42.095   10.516   14.183   7.7923   18.688   10.463   8.5725   11.677   47.106   14.747   37.084   14.996 10.02229 21.03244 
1 1 1  -14   22   42 o   40.372   10.573   12.756   7.7821   15.101   10.194   9.4810   12.048   42.816   14.628   37.928   15.269 4.888073 21.14522 
1 1 1  -14   22   43 o   51.092   11.602   23.585   9.6454   14.882   14.279   30.888   13.080   43.036   16.849   59.148   15.953 -16.11237 23.20314 
1 1 1  -14   22   44 o   70.347   14.955   42.205   13.818   0.0000   0.0000   42.205   13.818  ?   ?    70.347   14.955      ?      ? 
1 1 1  -14   22   45 f   58.756   16.262   31.281   13.388   0.0000   0.0000   31.281   13.388  ?   ?    58.756   16.262      ?      ? 
1 1 1  -14   22   46 f   31.730   13.842   2.8127   11.216   0.0000   0.0000   2.8127   11.216  ?   ?    31.730   13.842      ?      ? 
1 1 1  -14   22   47 o   32.329   14.103   3.3635   11.642   0.0000   0.0000   3.3635   11.642  ?   ?    32.329   14.103      ?      ? 
1 1 1  -14   22   48 o   30.010   13.516  -0.0137   11.573   0.0000   0.0000  -0.0137   11.573  ?   ?    30.010   13.516      ?      ? 
1 1 1  -14   23    1 o   56.309   11.007   25.231   8.5971   19.600   10.955   34.256   13.870   48.837   15.058   63.780   16.058 -14.94300 22.01365 
1 1 1  -14   23    2 o   41.640   10.863   12.862   7.9404   12.860   10.031   12.866   12.995   41.077   14.483   42.203   16.195 -1.125183 21.72643 
1 1 1  -14   23    3 o   42.851   10.909   13.799   7.9699   11.972   10.303   16.522   12.576   40.219   14.618   45.483   16.198 -5.264580 21.81855 
1 1 1  -14   23    4 o   56.923   10.992   26.484   8.5853   23.788   11.059   30.571   13.619   53.826   14.733   60.021   16.316 -6.195049 21.98337 
1 1 1  -14   23    5 o   34.729   9.9419   5.3380   7.7667   11.227   10.014  -3.5516   12.303   39.313   14.393   30.144   13.719 9.169479 19.88371 
1 1 1  -14   23    6 o   33.058   13.542   5.0778   9.6700   5.0778   9.6700   0.0000   0.0000   33.058   13.542  ?   ?       ?      ? 
1 1 1  -14   23    7 o   42.251   14.549   13.867   10.090   13.867   10.090   0.0000   0.0000   42.251   14.549  ?   ?       ?      ? 
1 1 1  -14   23    8 o   35.470   13.971   7.5112   9.8715   7.5112   9.8715   0.0000   0.0000   35.470   13.971  ?   ?       ?      ? 
1 1 1  -14   23    9 o   25.954   8.4811  -5.6831   7.0632  -1.5279   8.8729 -12.8712   11.670   26.862   11.986   25.045   12.002 1.817385 16.96215 
1 1 1  -14   23   10 o   42.313   10.412   7.6022   8.2223  -3.8813   10.273   28.072   13.716   27.359   12.484   57.266   16.667 -29.90653 20.82383 
1 1 1  -14   23   11 o   29.272   8.9954  -2.8069   7.5581   7.0583   9.6161 -18.7511   12.225   34.818   13.766   23.725   11.583 11.09289 17.99077 
1 1 1  -14   23   12 o   30.655   9.5500   0.2094   7.6714   1.2715   10.070  -1.2594   11.842   30.433   13.197   30.877   13.807 -0.4440975 19.10004 
1 1 1  -14   23   13 o   60.650   11.012   30.883   9.1327   33.606   12.534   27.800   13.335   64.167   14.726   57.133   16.378 7.033955 22.02454 
1 1 1  -14   23   14 o   66.240   10.525   35.704   9.3168   26.501   12.733   46.310   13.669   56.005   15.987   76.474   13.692 -20.46904 21.04935 
1 1 1  -14   23   15 o   38.830   10.372   9.3665   7.9319   16.586   11.187   2.0671   11.248   45.346   15.324   32.315   13.981 13.03149 20.74326 
1 1 1  -14   23   16 o   45.500   9.8860   13.989   8.2620   30.200   11.686  -2.2137   11.683   60.911   14.387   30.089   13.563 30.82179 19.77203 
1 1 1  -14   23   17 o   57.285   11.203   27.716   8.9910   27.899   12.650   27.530   12.781   57.533   15.761   57.038   15.926 0.4953003 22.40607 
1 1 1  -14   23   18 o   65.049   10.739   35.066   9.3904   27.623   13.081   42.980   13.489   56.924   16.188   73.174   14.114 -16.25029 21.47750 
1 1 1  -14   23   19 o   42.599   11.067   13.867   8.4052   12.166   11.778   15.632   11.998   40.882   15.482   44.316   15.817 -3.433273 22.13311 
1 1 1  -14   23   20 o   85.502   9.9269   58.254   10.944   43.559   15.213   74.017   15.756   71.978   16.010   99.025   11.741 -27.04655 19.85385 
1 1 1  -14   23   21 o   37.540   15.142   8.3857   11.873   0.0000   0.0000   8.3857   11.873  ?   ?    37.540   15.142      ?      ? 
1 1 1  -14   23   22 o   36.705   14.880   7.7261   11.527   0.0000   0.0000   7.7261   11.527  ?   ?    36.705   14.880      ?      ? 
1 1 1  -14   23   23 o   61.583   11.143   32.266   9.4331   26.803   13.303   37.791   13.378   55.613   16.479   67.554   15.004 -11.94112 22.28604 
1 1 1  -14   23   24 o   39.341   10.837   10.626   8.3691   8.4501   11.932   12.734   11.742   37.501   15.161   41.181   15.489 -3.679390 21.67439 
1 1 1  -14   23   25 o   58.664   11.246   29.472   9.1612   31.124   13.255   27.960   12.676   60.211   15.980   57.117   15.829 3.093918 22.49261 
1 1 1  -14   23   26 o   39.115   10.534   9.9427   8.2045   2.5389   11.692   17.125   11.516   32.785   14.219   45.446   15.547 -12.66082 21.06852 
1 1 1  -14   23   27 o   35.876   10.405   5.8461   8.1827   12.525   12.491   0.8259   10.830   41.076   15.848   30.675   13.486 10.40101 20.80901 
1 1 1  -14   23   28 o   42.423   11.317   13.622   9.0467   8.8703   12.585   18.704   13.014   38.010   15.495   46.837   16.499 -8.827251 22.63441 
1 1 1  -14   23   29 o   53.821   16.782   25.821   13.565   25.821   13.565   0.0000   0.0000   53.821   16.782  ?   ?       ?      ? 
1 1 1  -14   23   30 o   38.731   10.922   10.018   8.6388   12.755   12.703   7.6636   11.783   41.089   15.946   36.372   14.929 4.716553 21.84369 
1 1 1  -14   23   31 o   55.944   10.190   23.940   9.1260   48.168   13.996   6.0210   12.037   76.667   13.987   35.221   14.823 41.44637 20.37999 
1 1 1  -14   23   32 o   49.582   11.568   21.331   9.0892   27.335   13.639   16.535   12.190   54.917   16.780   44.246   15.927 10.67095 23.13508 
1 1 1  -14   23   33 o   37.339   10.447   8.2440   8.5229  -1.5396   12.743   16.162   11.464   30.945   14.037   43.732   15.477 -12.78662 20.89406 
1 1 1  -14   23   34 o   36.921   10.332   7.6038   8.5585  -4.2784   13.043   16.589   11.342   29.792   13.767   44.049   15.410 -14.25663 20.66372 
1 1 1  -14   23   35 o   52.688   11.686   25.630   9.3476   23.147   14.009   27.622   12.550   49.905   17.145   55.472   15.884 -5.567326 23.37260 
1 1 1  -14   23   36 o   38.064   10.929   9.9621   8.6566   11.747   13.757   8.7921   11.138   39.857   16.219   36.272   14.654 3.585709 21.85851 
1 1 1  -14   23   37 o   45.549   11.678   18.960   9.5005   14.305   14.893   22.155   12.337   41.919   16.941   49.179   16.078 -7.259914 23.35633 
1 1 1  -14   23   38 o   43.681   11.687   15.545   9.4865   24.723   15.059   9.5064   12.215   50.229   17.742   37.134   15.217 13.09463 23.37359 
1 1 1  -14   23   39 o   52.820   16.448   26.421   13.035   0.0000   0.0000   26.421   13.035  ?   ?    52.820   16.448      ?      ? 
1 1 1  -14   23   40 f   39.864   15.552   13.289   12.134   0.0000   0.0000   13.289   12.134  ?   ?    39.864   15.552      ?      ? 
1 1 1  -14   23   41 o   48.642   15.897   22.429   12.060   0.0000   0.0000   22.429   12.060  ?   ?    48.642   15.897      ?      ? 
1 1 1  -14   23   42 o   25.439   11.992  -6.3797   10.734   0.0000   0.0000  -6.3797   10.734  ?   ?    25.439   11.992      ?      ? 
1 1 1  -14   23   43 o   39.134   15.648   13.197   12.560   0.0000   0.0000   13.197   12.560  ?   ?    39.134   15.648      ?      ? 
1 1 1  -14   23   44 o   23.133   11.238 -12.7473   11.113   0.0000   0.0000 -12.7473   11.113  ?   ?    23.133   11.238      ?      ? 
1 1 1  -14   24    1 o   29.643   13.291  -0.5583   11.052  -0.5583   11.052   0.0000   0.0000   29.643   13.291  ?   ?       ?      ? 
1 1 1  -14   24    2 o   34.701   10.165   4.3592   8.6212   13.507   11.502  -7.3668   13.023   41.004   15.349   28.399   13.332 12.60448 20.33019 
1 1 1  -14   24    3 o   59.031   11.625   31.172   9.8788   23.202   13.544   40.233   14.441   50.442   16.862   67.620   16.007 -17.17780 23.25027 
1 1 1  -14   24    4 f   32.591   9.7970  -0.0118   8.4433 -12.8229   12.024   12.450   11.859   25.033   12.045   40.148   15.455 -15.11525 19.59404 
1 1 1  -14   24    5 o   35.033   10.386   5.9911   8.3919   9.4358   11.952   2.6421   11.785   37.601   15.184   32.465   14.175 5.135456 20.77209 
1 1 1  -14   24    6 o   37.574   10.788   9.2497   8.5920   8.5159   12.150   9.9838   12.152   36.985   15.168   38.164   15.345 -1.179733 21.57667 
1 1 1  -14   24    7 o   37.336   10.646   8.1061   8.4941   14.931   12.603   2.4262   11.498   42.616   16.044   32.056   13.999 10.55936 21.29265 
1 1 1  -14   24    8 o   32.692   9.9066   2.7108   8.2581  -5.5092   12.571   8.9499   10.953   28.761   13.368   36.622   14.624 -7.860132 19.81321 
1 1 1  -14   24    9 o   41.306   10.666   12.629   8.5804   2.2787   12.536   21.753   11.769   32.923   14.491   49.690   15.655 -16.76665 21.33191 
1 1 1  -14   24   10 o   44.289   11.038   15.527   8.5443   24.435   12.878   8.5211   11.420   52.057   16.371   36.522   14.809 15.53511 22.07533 
1 1 1  -14   24   11 o   63.099   11.277   35.109   9.6253   35.997   14.183   34.350   13.106   63.425   16.385   62.773   15.499 0.6521416 22.55404 
1 1 1  -14   24   12 o   56.608   11.357   29.045   9.3890   22.054   13.667   35.294   12.921   49.231   16.933   63.986   15.138 -14.75454 22.71309 
1 1 1  -14   24   13 o   45.592   11.082   17.749   8.9590   8.3470   13.284   25.592   12.133   37.462   15.657   53.721   15.688 -16.25944 22.16378 
1 1 1  -14   24   14 o   27.011   8.8646  -5.8220   7.9080 -11.1978   11.680  -1.2721   10.746   25.176   12.050   28.847   13.005 -3.670843 17.72915 
1 1 1  -14   24   15 o   41.181   15.402   13.772   11.577   0.0000   0.0000   13.772   11.577  ?   ?    41.181   15.402      ?      ? 
1 1 1  -14   24   16 o   46.343   15.517   18.829   11.470   0.0000   0.0000   18.829   11.470  ?   ?    46.343   15.517      ?      ? 
1 1 1  -14   24   17 o   34.268   9.8433   4.7366   8.0371  -7.2963   12.196   13.973   10.685   27.383   12.870   41.154   14.897 -13.77166 19.68650 
1 1 1  -14   24   18 o   76.404   10.218   49.505   10.220   43.781   15.180   54.249   13.821   69.933   16.316   82.875   12.306 -12.94141 20.43685 
1 1 1  -14   24   19 o   28.547   9.1481  -3.0185   7.6512   3.4880   11.658  -7.9422   10.141   32.664   14.182   24.431   11.559 8.233923 18.29628 
1 1 1  -14   24   20 o   25.612   8.5175 -11.3319   7.3883   2.5019   12.017 -19.7392   9.3681   32.292   14.201   18.932   9.4089 13.36000 17.03502 
1 1 1  -14   24   21 o   39.363   10.933   12.033   8.5129   10.702   13.169   12.988   11.158   38.725   15.826   40.001   15.088 -1.275372 21.86585 
1 1 1  -14   24   22 o   57.738   11.585   30.629   9.4187   32.255   14.395   29.412   12.454   58.345   17.102   57.132   15.633 1.213062 23.16999 
1 1 1  -14   24   23 o   28.080   13.133  -5.8494   12.436  -5.8494   12.436   0.0000   0.0000   28.080   13.133  ?   ?       ?      ? 
1 1 1  -14   24   24 o   46.623   17.033   20.421   14.015   20.421   14.015   0.0000   0.0000   46.623   17.033  ?   ?       ?      ? 
1 1 1  -14   24   25 o   35.648   10.586   6.7995   8.7346   12.674   13.057   2.0411   11.751   39.835   15.946   31.460   13.929 8.374632 21.17279 
1 1 1  -14   24   26 o   68.924   11.349   43.062   10.346   46.587   15.628   40.311   13.805   70.890   16.566   66.958   15.517 3.932831 22.69821 
1 1 1  -14   24   27 o   32.529   10.101   3.5163   8.5652   0.9802   13.324   5.3023   11.182   32.044   14.461   33.015   14.106 -0.9710197 20.20103 
1 1 1  -14   24   28 o   41.879   11.568   15.551   9.4315   15.690   14.693   15.453   12.300   42.054   16.886   41.703   15.815 0.3511581 23.13548 
1 1 1  -14   24   29 o   34.447   10.430   2.7736   8.6778   16.680   14.430  -5.1052   10.861   42.612   16.858   26.282   12.286 16.32976 20.85953 
1 1 1  -14   24   30 o   36.624   10.772   9.5806   8.9384   5.2786   14.360   12.302   11.421   34.793   15.402   38.456   15.065 -3.662083 21.54440 
1 1 1  -14   24   31 o   33.147   10.216  -0.2921   8.8190   16.512   14.439 -10.2906   11.138   42.071   16.794   24.222   11.639 17.84943 20.43237 
1 1 1  -14   24   32 o   33.587   10.309   3.3196   8.6143   14.277   14.083  -3.2314   10.889   40.152   16.383   27.022   12.519 13.13015 20.61816 
1 1 1  -14   24   33 o   39.664   11.211   13.204   8.9031   19.265   14.469   9.5113   11.294   43.756   17.007   35.573   14.611 8.183571 22.42155 
1 1 1  -14   24   34 o   34.623   14.436   8.5457   11.257   0.0000   0.0000   8.5457   11.257  ?   ?    34.623   14.436      ?      ? 
1 1 1  -14   24   35 o   36.384   14.912   10.787   11.734   0.0000   0.0000   10.787   11.734  ?   ?    36.384   14.912      ?      ? 
1 1 1  -14   24   36 o   42.681   15.817   18.254   12.155   0.0000   0.0000   18.254   12.155  ?   ?    42.681   15.817      ?      ? 
1 1 1  -14   24   37 o   38.801   15.356   14.225   11.977   0.0000   0.0000   14.225   11.977  ?   ?    38.801   15.356      ?      ? 
1 1 1  -14   25    1 o   37.082   10.224   8.9661   8.4130  -3.2333   11.842   21.400   11.955   27.773   12.931   46.391   15.841 -18.61775 20.44814 
1 1 1  -14   25    2 o   42.141   10.961   15.845   8.8256   25.878   12.799   6.7486   12.186   50.507   16.369   33.776   14.582 16.73089 21.92239 
1 1 1  -14   25    3 o   25.310   8.5010  -7.7938   7.9417  -3.2716   11.395 -12.0649   11.074   27.346   12.716   23.273   11.286 4.073175 17.00204 
1 1 1  -14   25    4 o   37.615   10.761   11.469   8.7242   6.3558   12.410   16.465   12.267   33.692   14.631   41.538   15.783 -7.846310 21.52124 
1 1 1  -14   25    5 o   33.284   9.6363   1.5192   8.3718 -16.0720   11.968   18.373   11.715   23.031   11.290   43.537   15.619 -20.50580 19.27268 
1 1 1  -14   25    6 o   31.782   9.8367   3.9438   8.0902   7.8135   11.935   0.6544   11.004   34.455   14.643   29.109   13.138 5.346153 19.67331 
1 1 1  -14   25    7 o   35.493   10.177   5.9671   8.3503   19.843   12.602  -4.8938   11.149   44.651   16.176   26.336   12.354 18.31439 20.35427 
1 1 1  -14   25    8 o   26.253   8.7392  -6.2543   7.8989  -0.5767   12.102 -10.4679   10.426   29.424   13.473   23.082   11.134 6.341637 17.47832 
1 1 1  -14   25    9 o   39.474   15.171   14.128   11.414   0.0000   0.0000   14.128   11.414  ?   ?    39.474   15.171      ?      ? 
1 1 1  -14   25   10 o   43.471   15.652   18.353   11.774   0.0000   0.0000   18.353   11.774  ?   ?    43.471   15.652      ?      ? 
1 1 1  -14   25   11 o   24.529   8.3380 -10.2179   8.1658 -15.2017   12.391  -6.3917   10.857   23.769   11.617   25.289   11.964 -1.520454 16.67606 
1 1 1  -14   25   12 o   36.707   10.655   10.677   8.4466   13.198   12.696   8.6753   11.314   38.683   15.639   34.730   14.476 3.953552 21.31051 
1 1 1  -14   25   13 o   42.229   11.140   17.410   8.7565   13.304   13.437   20.442   11.545   38.822   15.940   45.635   15.567 -6.813416 22.27991 
1 1 1  -14   25   14 o   34.766   10.094   7.6253   8.4738  -4.4042   13.359   15.724   10.961   28.634   13.461   40.898   15.045 -12.26370 20.18814 
1 1 1  -14   25   15 o   38.198   10.894   12.851   8.7208   11.281   12.799   14.211   11.915   37.083   15.422   39.314   15.391 -2.230930 21.78801 
1 1 1  -14   25   16 o   21.198   7.4136 -17.6774   7.4463 -11.7573   11.648 -21.7695   9.6837   23.965   11.610   18.430   9.2225 5.535244 14.82722 
1 1 1  -14   25   17 o   39.425   10.727   14.167   8.6755   5.7852   13.323   20.339   11.431   33.551   14.844   45.300   15.490 -11.74867 21.45439 
1 1 1  -14   25   18 o   31.553   14.238   2.8220   12.912   2.8220   12.912   0.0000   0.0000   31.553   14.238  ?   ?       ?      ? 
1 1 1  -14   25   19 o   45.039   16.882   21.741   13.925   21.741   13.925   0.0000   0.0000   45.039   16.882  ?   ?       ?      ? 
1 1 1  -14   25   20 o   39.561   10.945   14.691   8.9234   8.0078   13.180   20.347   12.125   34.575   15.046   44.547   15.900 -9.971233 21.89060 
1 1 1  -14   25   21 o   36.159   10.277   6.0151   8.5021   23.909   13.361  -6.1615   11.022   47.059   16.702   25.259   11.980 21.80021 20.55445 
1 1 1  -14   25   22 o   39.668   11.019   15.445   8.6433   14.961   13.295   15.799   11.375   39.194   15.946   40.142   15.212 -0.9485970 22.03838 
1 1 1  -13    0    2 o  368.092   7.3273  919.529   36.517   0.0000   0.0000  919.529   36.517  368.092   7.3273  368.092   7.3273 -0.000000 0.000000 
1 1 1  -13    0    3 o  212.490   5.8175  307.465   16.693  301.239   23.534  313.768   23.681  210.307   8.2869  214.672   8.1671 -0.000000 0.000000 
1 1 1  -13    0    4 o   87.785   8.9605   53.860   10.405   0.0000   0.0000   53.860   10.405   87.785   8.9605   87.785   8.9605 -0.000000 0.000000 
1 1 1  -13    0    5 o  103.938   8.2511   74.611   11.453   74.611   11.453   0.0000   0.0000  103.938   8.2511  103.938   8.2511 -0.000000 0.000000 
1 1 1  -13    0    6 o  388.219   7.5678  1023.84   39.733  994.504   55.446  1054.82   56.968  382.490   10.716  393.948   10.689 -0.000000 0.000000 
1 1 1  -13    0    7 o  387.678   7.5663  1021.59   39.681  1021.21   56.159  1021.97   56.078  387.604   10.710  387.752   10.691 -0.000000 0.000000 
1 1 1  -13    0    8 o  106.457   5.9051   78.166   8.3828   84.429   12.051   72.294   11.668  110.711   8.1334  102.203   8.5631 -0.000000 0.000000 
1 1 1  -13    0    9 o   82.719   9.3563   48.146   10.142   48.146   10.142   0.0000   0.0000   82.719   9.3563   82.719   9.3563 -0.000000 0.000000 
1 1 1  -13    0   10 o  212.318   8.3749  307.033   24.011  307.033   24.011   0.0000   0.0000  212.318   8.3749  212.318   8.3749 -0.000000 0.000000 
1 1 1  -13    0   11 o  361.657   10.319  889.139   50.482  889.139   50.482   0.0000   0.0000  361.657   10.319  361.657   10.319 -0.000000 0.000000 
1 1 1  -13    0   12 o  169.152   5.7253  195.311   13.040  183.497   18.310  207.470   18.576  163.895   8.2925  174.409   7.8963 -0.000000 0.000000 
1 1 1  -13    0   13 o  514.268   9.1712  1796.67   63.803  1845.12   91.592  1751.00   88.930  521.009   12.991  507.527   12.949 -0.000000 0.000000 
1 1 1  -13    0   14 o  702.578   11.741  3356.94  111.637  3393.77  158.985  3321.11  156.794  706.381   16.629  698.774   16.579 -0.000000 0.000000 
1 1 1  -13    0   15 o  544.915   9.5845  2017.99   70.667  2051.33  100.918  1985.91   98.988  549.336   13.575  540.494   13.534 -0.000000 0.000000 
1 1 1  -13    0   16 o  758.227   12.541  3908.88  128.667  3818.29  179.400  4004.84  184.637  749.178   17.693  767.276   17.779 -0.000000 0.000000 
1 1 1  -13    0   17 o  177.838   5.8612  215.949   14.039  204.207   19.849  227.701   19.858  172.932   8.5171  182.744   8.0545 -0.000000 0.000000 
1 1 1  -13    0   18 o  650.807   11.041  2879.56   97.241  2902.56  138.306  2857.08  136.745  653.377   15.641  648.237   15.587 -0.000000 0.000000 
1 1 1  -13    0   19 o  1424.57   22.447 13859.95  432.758 14128.92  620.148 13604.65  604.189  1438.01   31.859  1411.12   31.631 -0.000000 0.000000 
1 1 1  -13    0   20 o  1168.26   18.569  9301.67  293.617  9417.00  418.859  9190.25  411.707  1175.37   26.327  1161.15   26.195 -0.000000 0.000000 
1 1 1  -13    0   21 f  1202.64   19.083  9857.58  310.632  9962.07  442.615  9756.15  436.059  1208.91   27.048  1196.37   26.927 -0.000000 0.000000 
1 1 1  -13    0   22 o  1146.84   18.243  8959.92  283.199  8948.19  400.303  8971.67  400.704  1146.09   25.804  1147.60   25.796 -0.000000 0.000000 
1 1 1  -13    0   23 o  374.960   7.5325  955.386   38.201  965.111   54.482  945.981   53.578  376.837   10.688  373.082   10.617 -0.000000 0.000000 
1 1 1  -13    0   24 o  635.969   15.331  2748.54  131.953   0.0000   0.0000  2748.54  131.953  635.969   15.331  635.969   15.331 -0.000000 0.000000 
1 1 1  -13    0   25 o  1193.49   26.762  9699.40  432.334   0.0000   0.0000  9699.40  432.334  1193.49   26.762  1193.49   26.762 -0.000000 0.000000 
1 1 1  -13    0   26 o  1196.67   18.980  9749.27  307.431  9794.27  436.385  9704.93  433.178  1199.40   26.879  1193.93   26.804 -0.000000 0.000000 
1 1 1  -13    0   27 o  762.500   12.631  3951.01  130.340  3989.87  185.691  3913.26  182.997  766.196   17.906  758.804   17.819 -0.000000 0.000000 
1 1 1  -13    0   28 o  192.459   6.1303  252.452   15.904  255.861   22.978  249.317   22.034  193.695   8.7954  191.223   8.5417 -0.000000 0.000000 
1 1 1  -13    0   29 o  698.707   11.740  3317.11  111.015  3285.39  156.367  3349.35  157.639  695.332   16.616  702.083   16.590 -0.000000 0.000000 
1 1 1  -13    0   30 o  964.824   15.550  6329.76  203.073  6362.74  288.476  6297.35  285.918  967.313   22.033  962.335   21.950 -0.000000 0.000000 
1 1 1  -13    0   31 o  608.433   10.558  2506.78   86.783  2364.75  118.644  2670.21  127.267  589.934   14.862  626.932   14.999 -0.000000 0.000000 
1 1 1  -13    0   32 o  448.262   12.009  1365.25   72.832  1365.25   72.832   0.0000   0.0000  448.262   12.009  448.262   12.009 -0.000000 0.000000 
1 1 1  -13    0   33 o  451.426   8.4979  1382.78   51.868  1437.39   75.004  1332.74   71.804  459.970   12.052  442.881   11.984 -0.000000 0.000000 
1 1 1  -13    0   34 o  935.676   15.141  5952.59  191.744  6008.99  273.084  5897.75  269.289  940.046   21.462  931.306   21.363 -0.000000 0.000000 
1 1 1  -13    0   35 o  405.431   7.9788  1117.00   43.759  1112.69   62.045  1121.27   61.724  404.645   11.335  406.217   11.232 -0.000000 0.000000 
1 1 1  -13    0   36 o  217.461   6.4181  322.469   18.820  307.493   26.689  337.280   26.541  212.376   9.3144  222.545   8.8324 -0.000000 0.000000 
1 1 1  -13    0   37 o  312.453   7.0518  663.721   29.782  668.687   42.657  658.998   41.600  313.586   10.061  311.319   9.8832 -0.000000 0.000000 
1 1 1  -13    0   38 o  941.230   15.241  6025.48  194.139  6108.64  277.366  5945.62  271.825  947.593   21.625  934.868   21.482 -0.000000 0.000000 
1 1 1  -13    0   39 o  999.563   16.100  6799.98  217.828  6780.87  307.892  6819.14  308.219  998.150   22.789  1000.98   22.749 -0.000000 0.000000 
1 1 1  -13    0   40 o  346.623   7.3932  816.915   34.651  811.269   49.325  822.416   48.689  345.426   10.560  347.821   10.350 -0.000000 0.000000 
1 1 1  -13    0   41 o  466.517   8.7525  1479.23   55.241  1476.35   78.545  1482.06   77.706  466.057   12.457  466.977   12.299 -0.000000 0.000000 
1 1 1  -13    0   42 o  371.353   7.7035  937.089   38.675  952.427   55.671  922.783   53.766  374.284   10.998  368.422   10.790 -0.000000 0.000000 
1 1 1  -13    0   43 o  572.252   14.239  2226.14  110.264   0.0000   0.0000  2226.14  110.264  572.252   14.239  572.252   14.239 -0.000000 0.000000 
1 1 1  -13    0   44 o  975.815   22.303  6486.34  294.579   0.0000   0.0000  6486.34  294.579  975.815   22.303  975.815   22.303 -0.000000 0.000000 
1 1 1  -13    0   45 o  550.836   9.8532  2062.50   73.427  2089.99  105.187  2036.37  102.547  554.410   14.021  547.263   13.848 -0.000000 0.000000 
1 1 1  -13    0   46 o  477.426   8.9453  1550.00   57.777  1536.76   82.016  1563.04   81.405  475.385   12.752  479.467   12.548 -0.000000 0.000000 
1 1 1  -13    0   47 o  455.289   8.6802  1409.31   53.454  1423.94   76.584  1395.41   74.645  457.585   12.371  452.994   12.180 -0.000000 0.000000 
1 1 1  -13    0   48 o  252.456   6.7431  434.451   22.974  416.730   32.646  451.836   32.336  247.296   9.7762  257.615   9.2899 -0.000000 0.000000 
1 1 1  -13    0   49 o  593.351   14.814  2396.06  118.946  2396.06  118.946   0.0000   0.0000  593.351   14.814  593.351   14.814 -0.000000 0.000000 
1 1 1  -13    0   50 o  662.140   16.149  2985.86  144.708  2985.86  144.708   0.0000   0.0000  662.140   16.149  662.140   16.149 -0.000000 0.000000 
1 1 1  -13    0   51 o  393.082   8.0197  1050.51   42.612  1076.34   61.601  1026.81   59.008  397.707   11.451  388.458   11.231 -0.000000 0.000000 
1 1 1  -13    0   52 o  353.541   7.6014  850.380   36.324  861.609   52.318  839.929   50.473  355.781   10.874  351.301   10.624 -0.000000 0.000000 
1 1 1  -13    0   53 f  347.767   7.5360  823.428   35.432  815.806   50.488  830.824   49.737  346.157   10.787  349.377   10.527 -0.000000 0.000000 
1 1 1  -13    0   54 o   99.397   8.3300   71.643   10.232   53.484   14.696   88.726   14.254   85.615   13.724  113.179   9.4449 -0.000000 0.000000 
1 1 1  -13    0   55 o  102.954   7.7203   74.138   10.451   77.364   15.469   71.428   14.177  104.985   11.193  100.924   10.636 -0.000000 0.000000 
1 1 1  -13    0   56 o  170.089   6.7256  198.419   15.361  194.458   22.284  202.005   21.205  168.388   9.8427  171.790   9.1682 -0.000000 0.000000 
1 1 1  -13    0   57 o  692.970   11.844  3279.31  111.073  3258.75  157.270  3299.78  156.892  690.775   16.823  695.166   16.676 -0.000000 0.000000 
1 1 1  -13    0   58 o  566.691   10.149  2190.59   77.823  2171.02  110.297  2209.99  109.821  564.140   14.449  569.242   14.257 -0.000000 0.000000 
1 1 1  -13    0   59 o  236.123   6.7989  379.009   21.611  399.577   32.066  361.890   29.254  241.963   9.8160  230.283   9.4099 -0.000000 0.000000 
1 1 1  -13    0   60 o  151.777   9.3282  158.195   19.020   0.0000   0.0000  158.195   19.020  151.777   9.3282  151.777   9.3282 -0.000000 0.000000 
1 1 1  -13    0   61 o  277.034   7.0913  524.456   26.484  488.577   37.640  559.634   37.271  267.524   10.418  286.545   9.6230 -0.000000 0.000000 
1 1 1  -13    0   62 o  265.035   6.9979  479.306   25.026  478.963   36.254  479.617   34.588  264.900   10.133  265.171   9.6543 -0.000000 0.000000 
1 1 1  -13    0   63 o  200.844   6.8008  276.030   18.380  274.898   26.768  277.040   25.283  200.392   9.9126  201.297   9.3138 -0.000000 0.000000 
1 1 1  -13    0   64 o   35.636   13.212   12.154   8.4863   16.009   12.698   9.0428   11.408   39.840   19.646   31.431   17.670 -0.000000 0.000000 
1 1 1  -13    0   65 o   88.675   13.790   57.300   15.378   57.300   15.378   0.0000   0.0000   88.675   13.790   88.675   13.790 -0.000000 0.000000 
1 1 1  -13    0   66 o  238.145   10.011  387.674   32.178  387.674   32.178   0.0000   0.0000  238.145   10.011  238.145   10.011 -0.000000 0.000000 
1 1 1  -13    0   67 o  255.280   7.0299  444.618   24.202  455.566   35.334  434.943   33.217  258.209   10.133  252.351   9.7464 -0.000000 0.000000 
1 1 1  -13    0   68 o  186.091   6.9888  238.628   17.421  217.932   25.070  257.953   24.226  178.048   10.473  194.134   9.2565 -0.000000 0.000000 
1 1 1  -13    0   69 o  146.094   7.3972  145.110   14.351  169.637   21.975  126.868   18.951  156.850   10.445  135.337   10.478 -0.000000 0.000000 
1 1 1  -13    0   70 o  199.015   6.9168  271.613   18.522  267.100   26.816  275.731   25.614  197.351   10.087  200.679   9.4669 -0.000000 0.000000 
1 1 1  -13    0   71 o   80.454   11.249   50.672   10.440   38.915   15.352   60.785   14.239   68.701   19.063   92.206   11.949 -0.000000 0.000000 
1 1 1  -13    0   72 o  108.311   8.4586   82.428   11.973   87.230   17.997   78.615   16.037  111.078   12.346  105.543   11.566 -0.000000 0.000000 
1 1 1  -13    0   73 o  281.534   7.2923  540.557   27.682  566.458   40.739  518.341   37.730  287.763   10.479  275.305   10.144 -0.000000 0.000000 
1 1 1  -13    0   74 o  128.832   7.9098  116.127   13.476  111.927   19.989  119.626   18.247  126.396   11.913  131.268   10.408 -0.000000 0.000000 
1 1 1  -13    0   75 o   80.280   14.838   48.361   14.519   0.0000   0.0000   48.361   14.519   80.280   14.838   80.280   14.838 -0.000000 0.000000 
1 1 1  -13    0   76 f  163.360   7.2461  184.337   15.853  182.197   23.201  186.210   21.711  162.340   10.651  164.381   9.8269 -0.000000 0.000000 
1 1 1  -13    0   77 f   50.017   14.437   23.926   9.5897   26.735   14.462   21.722   12.811   52.930   20.941   47.104   19.879 -0.000000 0.000000 
1 1 1  -13    0   78 o   94.803   9.2850   64.458   11.177   74.189   16.733   56.618   15.020  101.738   12.667   87.868   13.579 -0.000000 0.000000 
1 1 1  -13    0   79 o   24.862   11.235  -0.7267   8.6725   6.3144   12.754  -6.7827   11.828   29.420   17.693   20.303   13.851 -0.000000 0.000000 
1 1 1  -13    0   80 o  173.176   10.648  207.835   24.771  207.835   24.771   0.0000   0.0000  173.176   10.648  173.176   10.648 -0.000000 0.000000 
1 1 1  -13    0   81 o   49.339   14.129   23.301   9.4535   29.511   14.084   18.209   12.753   56.667   20.134   42.010   19.828 -0.000000 0.000000 
1 1 1  -13    0   82 o   38.311   11.869   12.606   8.7961  -4.1129   13.231   25.850   11.775   22.944   15.354   53.677   18.105 -0.000000 0.000000 
1 1 1  -13    0   83 o   43.969   13.072   19.199   8.9717   9.6140   13.084   27.705   12.326   32.236   18.590   55.702   18.382 -0.000000 0.000000 
1 1 1  -13    0   84 o   71.923   15.800   40.802   13.478   0.0000   0.0000   40.802   13.478   71.923   15.800   71.923   15.800 -0.000000 0.000000 
1 1 1  -13    0   85 o   89.539   16.124   61.400   17.678   61.400   17.678   0.0000   0.0000   89.539   16.124   89.539   16.124 -0.000000 0.000000 
1 1 1  -13    0   86 f   86.435   14.840   56.740   15.844   56.740   15.844   0.0000   0.0000   86.435   14.840   86.435   14.840 -0.000000 0.000000 
1 1 1  -13    0   87 o   33.354   13.148   11.422   8.9090   9.4764   13.126   13.083   12.131   31.676   18.465   35.032   18.721 -0.000000 0.000000 
1 1 1  -13    0   88 o   89.523   13.208   59.780   15.000   0.0000   0.0000   59.780   15.000   89.523   13.208   89.523   13.208 -0.000000 0.000000 
1 1 1  -13    0   89 o   25.723   16.165   3.4997   11.791   0.0000   0.0000   3.4997   11.791   25.723   16.165   25.723   16.165 -0.000000 0.000000 
1 1 1  -13    0   90 o   22.941   14.821   0.9056   10.770   0.0000   0.0000   0.9056   10.770   22.941   14.821   22.941   14.821 -0.000000 0.000000 
1 1 1  -13    0   91 o  115.546   11.189   96.419   17.142   0.0000   0.0000   96.419   17.142  115.546   11.189  115.546   11.189 -0.000000 0.000000 
1 1 1  -13    1    1 o  439.047   7.0467  1311.63   39.714  1319.13   48.951  1297.17   67.932  441.001   8.1910  437.094   11.469 3.907135 14.09339 
1 1 1  -13    1    2 o  674.577   11.326  3080.11  103.268  2867.40  140.132  3332.92  152.769  649.232   15.928  699.921   16.107 -50.68854 22.65209 
1 1 1  -13    1    3 f  694.969   11.607  3283.88  109.269  3184.84  152.034  3389.70  157.151  684.142   16.399  705.796   16.431 -21.65424 23.21398 
1 1 1  -13    1    4 o  686.724   11.472  3202.00  106.761   0.0000   0.0000  3202.00  106.761  ?   ?   686.724   11.472      ?      ? 
1 1 1  -13    1    5 o  799.224   11.314  4337.02  115.359  4370.98  200.704  4320.27  140.972  801.014   18.490  797.433   13.045 3.580627 22.62863 
1 1 1  -13    1    6 o  406.121   6.7110  1124.45   34.908  1102.75   59.854  1135.64   42.974  403.041   10.959  409.201   7.7498 -6.160309 13.42206 
1 1 1  -13    1    7 o  405.349   6.7042  1115.66   34.728  1112.53   60.072  1117.23   42.561  404.824   10.950  405.873   7.7381 -1.048706 13.40838 
1 1 1  -13    1    8 o  806.811   11.425  4403.44  117.178  4502.08  206.012  4356.27  142.469  812.887   18.702  800.735   13.129 12.15259 22.85023 
1 1 1  -13    1    9 o  669.877   11.271  3052.70  102.314  3060.46  144.934  3044.98  144.456  670.725   15.946  669.029   15.933 1.695984 22.54185 
1 1 1  -13    1   10 f  709.857   10.230  3401.19   92.267  3356.40  112.059  3495.47  162.590  703.050   11.762  716.664   16.742 -13.61420 20.46022 
1 1 1  -13    1   11 o  718.367   8.4325  3504.44   82.089  3500.06  116.039  3508.83  116.145  717.918   11.927  718.817   11.923 -0.8991089 16.86506 
1 1 1  -13    1   12 o  436.082   7.0801  1292.83   39.445  1297.45   48.355  1283.64   68.193  437.363   8.1586  434.800   11.574 2.563019 14.16018 
1 1 1  -13    1   13 o  690.893   10.016  3232.37   88.124  3209.51  107.418  3279.41  154.114  687.534   11.529  694.250   16.381 -6.716003 20.03151 
1 1 1  -13    1   14 o  946.813   10.771  6095.66  138.199  6126.17  196.107  6065.56  194.785  949.163   15.246  944.462   15.219 4.700928 21.54241 
1 1 1  -13    1   15 o  616.790   7.4501  2581.87   62.268  2601.39   88.460  2562.70   87.667  619.100   10.544  614.481   10.528 4.618958 14.90013 
1 1 1  -13    1   16 o  208.056   4.1871  293.409   11.803  301.031   16.798  285.976   16.588  210.726   5.8826  205.387   5.9601 5.338226 8.374190 
1 1 1  -13    1   17 o  458.712   5.9830  1427.14   37.191  1417.00   52.408  1437.42   52.786  457.072   8.4612  460.352   8.4614 -3.280457 11.96608 
1 1 1  -13    1   18 o  601.187   7.3038  2452.53   59.503  2448.22   84.049  2456.87   84.251  600.658   10.326  601.717   10.332 -1.058777 14.60753 
1 1 1  -13    1   19 f  514.996   6.4949  1799.03   45.326  1808.29   64.290  1789.89   63.914  516.313   9.1886  513.680   9.1816 2.632874 12.98971 
1 1 1  -13    1   20 o  444.642   5.8716  1340.77   35.379  1344.05   50.110  1337.51   49.957  445.185   8.3061  444.099   8.3011 1.085175 11.74311 
1 1 1  -13    1   21 o  283.164   4.6286  543.564   17.761  544.695   25.176  542.444   25.061  283.457   6.5540  282.871   6.5377 0.5857544 9.257237 
1 1 1  -13    1   22 o  454.249   5.9660  1399.24   36.725  1396.61   51.908  1401.88   51.965  453.821   8.4405  454.677   8.4339 -0.8556519 11.93199 
1 1 1  -13    1   23 o  721.990   10.394  3543.41   96.043  3550.19  117.898  3530.05  165.595  723.292   12.028  720.688   16.956 2.603455 20.78897 
1 1 1  -13    1   24 o  700.600   10.133  3330.51   90.751  3326.17  111.189  3339.19  157.067  700.156   11.719  701.044   16.533 -0.8880615 20.26521 
1 1 1  -13    1   25 o  410.958   6.8718  1140.25   36.000  1160.34   62.896  1130.46   43.902  413.576   11.222  408.339   7.9338 5.237213 13.74368 
1 1 1  -13    1   26 o  420.655   6.9888  1203.03   37.620  1190.84   64.780  1209.24   46.210  418.980   11.410  422.329   8.0743 -3.348877 13.97753 
1 1 1  -13    1   27 o  761.908   8.9065  3938.75   91.958  3923.53  129.728  3954.11  130.370  760.430   12.589  763.386   12.602 -2.955750 17.81296 
1 1 1  -13    1   28 o  569.831   7.0439  2201.92   54.392  2188.94   76.683  2215.07   77.164  568.141   9.9600  571.521   9.9632 -3.380493 14.08780 
1 1 1  -13    1   29 o  748.050   8.7719  3796.41   88.920  3809.49  126.035  3783.46  125.472  749.331   12.412  746.768   12.399 2.563110 17.54371 
1 1 1  -13    1   30 o  630.256   7.6180  2694.00   65.063  2708.06   92.322  2680.12   91.708  631.890   10.782  628.623   10.765 3.267395 15.23606 
1 1 1  -13    1   31 o  799.685   11.382  4332.48  116.067  4371.82  202.219  4313.16  141.740  802.095   18.604  797.275   13.119 4.820068 22.76458 
1 1 1  -13    1   32 o  767.173   12.712  3998.59  132.158  4025.65  187.581  3971.93  186.225  769.749   17.983  764.597   17.973 5.151672 25.42461 
1 1 1  -13    1   33 o  741.304   8.7288  3725.14   87.647  3620.83  121.740  3837.39  126.289  730.543   12.297  752.065   12.392 -21.52179 17.45769 
1 1 1  -13    1   34 f  711.695   8.4255  3436.19   81.258  3450.38  115.210  3422.15  114.625  713.156   11.921  710.233   11.910 2.922607 16.85094 
1 1 1  -13    1   35 o  695.537   8.2719  3281.94   77.966  3295.45  110.499  3268.54  110.023  696.963   11.699  694.111   11.697 2.851257 16.54370 
1 1 1  -13    1   36 o  622.990   7.5742  2631.69   63.932  2686.02   91.478  2579.81   89.386  629.273   10.727  616.708   10.696 12.56464 15.14845 
1 1 1  -13    1   37 o  847.448   9.8004  4875.55  112.548  4871.70  159.134  4879.41  159.201  847.112   13.862  847.784   13.857 -0.6712646 19.60078 
1 1 1  -13    1   38 o  837.599   9.7062  4763.12  110.170  4787.06  156.332  4739.50  155.281  839.689   13.739  835.510   13.715 4.179321 19.41247 
1 1 1  -13    1   39 o  315.402   5.0168  674.289   21.440  686.011   30.562  662.928   30.086  318.101   7.0898  312.703   7.0998 5.397919 10.03358 
1 1 1  -13    1   40 o  745.674   8.7797  3774.53   88.718  3780.69  125.581  3768.39  125.353  746.281   12.418  745.067   12.415 1.214172 17.55946 
1 1 1  -13    1   41 o  719.885   8.5300  3517.48   83.207  3563.54  118.594  3472.81  116.771  724.524   12.079  715.245   12.047 9.278687 17.05996 
1 1 1  -13    1   42 o  585.321   7.2388  2324.39   57.414  2351.18   81.763  2298.33   80.639  588.646   10.250  581.995   10.225 6.650269 14.47758 
1 1 1  -13    1   43 o  518.170   9.3379  1823.14   65.557  1780.11   91.746  1868.04   93.709  511.923   13.225  524.417   13.186 -12.49454 18.67571 
1 1 1  -13    1   44 f  362.053   7.5157  889.629   36.872  897.032   52.520  882.434   51.777  363.536   10.661  360.570   10.597 2.966278 15.03136 
1 1 1  -13    1   45 o  309.849   5.0204  651.046   21.080  648.173   29.751  653.943   29.872  309.162   7.1011  310.535   7.0986 -1.373169 10.04073 
1 1 1  -13    1   46 o  456.285   6.1175  1412.53   37.825  1400.12   53.298  1425.11   53.691  454.267   8.6580  458.303   8.6450 -4.036530 12.23505 
1 1 1  -13    1   47 o  391.841   5.6098  1041.63   29.788  1040.04   42.153  1043.23   42.100  391.540   7.9445  392.142   7.9225 -0.6022339 11.21966 
1 1 1  -13    1   48 o  311.432   5.0567  657.903   21.341  657.550   30.164  658.256   30.198  311.349   7.1492  311.515   7.1533 -0.1668091 10.11345 
1 1 1  -13    1   49 o  556.878   9.9986  2110.01   75.433  2170.91  108.166  2052.35  105.249  564.697   14.135  549.058   14.146 15.63812 19.99724 
1 1 1  -13    1   50 o  554.177   9.9729  2091.11   74.884  2138.63  106.850  2045.23  104.978  560.370   14.071  547.984   14.137 12.38635 19.94576 
1 1 1  -13    1   51 o  429.455   5.9163  1252.04   34.430  1240.31   48.452  1264.01   48.934  427.422   8.3651  431.487   8.3688 -4.064240 11.83266 
1 1 1  -13    1   52 o  358.625   5.3871  872.965   26.180  865.527   36.906  880.498   37.144  357.087   7.6268  360.164   7.6103 -3.076355 10.77429 
1 1 1  -13    1   53 o  352.692   5.3520  844.400   25.579  834.078   36.030  854.889   36.320  350.518   7.5852  354.866   7.5526 -4.348724 10.70408 
1 1 1  -13    1   54 o  419.728   5.8661  1196.63   33.365  1188.46   47.107  1204.86   47.264  418.288   8.3105  421.168   8.2813 -2.880219 11.73219 
1 1 1  -13    1   55 o  218.519   4.6999  323.993   13.915  315.784   19.500  332.510   19.862  215.698   6.6712  221.339   6.6219 -5.641327 9.399706 
1 1 1  -13    1   56 o  378.016   5.5500  970.676   28.431  971.162   40.245  970.191   40.170  378.110   7.8543  377.922   7.8436 0.1878357 11.10009 
1 1 1  -13    1   57 o  369.344   5.4972  926.657   27.513  938.247   39.138  915.334   38.684  371.627   7.7715  367.061   7.7769 4.566406 10.99443 
1 1 1  -13    1   58 o  273.786   4.9141  508.878   18.229  522.218   26.030  496.038   25.537  277.309   6.9266  270.264   6.9726 7.044647 9.828299 
1 1 1  -13    1   59 o  317.032   5.1605  682.785   22.170  686.186   31.529  679.459   31.179  317.810   7.3209  316.254   7.2752 1.556335 10.32104 
1 1 1  -13    1   60 o  274.225   6.8289  512.017   25.375  503.097   35.790  521.032   35.982  271.815   9.7164  276.634   9.5984 -4.819122 13.65786 
1 1 1  -13    1   61 o  160.998   4.8016  175.969   10.473  171.445   14.592  180.775   15.039  158.866   6.7779  163.130   6.8031 -4.264175 9.603221 
1 1 1  -13    1   62 f  237.528   4.8044  383.078   15.458  399.351   22.146  367.616   21.586  242.449   6.7404  232.607   6.8481 9.842651 9.608781 
1 1 1  -13    1   63 o  304.811   5.1288  631.495   21.183  640.283   30.169  622.950   29.751  306.903   7.2541  302.720   7.2522 4.182343 10.25752 
1 1 1  -13    1   64 o  295.190   5.0981  592.352   20.390  576.834   28.679  608.213   28.994  291.273   7.2658  299.106   7.1533 -7.833282 10.19613 
1 1 1  -13    1   65 o  192.910   6.0185  250.289   14.719  244.765   17.804  262.217   26.162  189.751   6.9239  196.070   9.8463 -6.319321 12.03702 
1 1 1  -13    1   66 o  227.414   6.0915  354.761   17.649  344.966   30.502  359.690   21.639  224.825   10.012  230.003   6.9424 -5.177841 12.18309 
1 1 1  -13    1   67 o  130.364   5.1817  115.570   9.1507  111.322   12.808  119.999   13.078  127.914   7.3891  132.815   7.2663 -4.901039 10.36332 
1 1 1  -13    1   68 o  260.333   4.9932  460.971   17.613  472.825   25.046  449.374   24.772  263.651   7.0100  257.015   7.1125 6.636169 9.986420 
1 1 1  -13    1   69 o  159.798   5.0833  173.757   11.007  176.066   15.598  171.466   15.535  160.858   7.1555  158.737   7.2221 2.121460 10.16660 
1 1 1  -13    1   70 o  189.171   4.8557  243.474   12.447  241.993   17.671  244.932   17.535  188.595   6.9142  189.747   6.8193 -1.152466 9.711315 
1 1 1  -13    1   71 o  115.969   5.5043   91.639   8.6459   88.039   12.188   95.286   12.267  113.665   7.9126  118.272   7.6537 -4.607269 11.00851 
1 1 1  -13    1   72 o  254.340   5.0080  440.217   17.254  458.413   24.680  422.822   24.130  259.489   7.0184  249.191   7.1458 10.29852 10.01602 
1 1 1  -13    1   73 o  175.715   4.9814  210.236   11.859  216.743   16.895  203.917   16.650  178.401   6.9885  173.028   7.1007 5.372833 9.962890 
1 1 1  -13    1   74 o  185.428   5.9615  236.946   14.232  227.897   24.000  241.853   17.675  182.433   9.7079  188.422   6.9220 -5.989197 11.92304 
1 1 1  -13    1   75 o  159.338   7.0050  173.402   15.043  200.417   21.983  149.613   20.629  171.042   9.4844  147.634   10.311 23.40775 14.00993 
1 1 1  -13    1   76 o  125.203   5.5969  107.239   9.4847  111.959   13.318  102.382   13.511  128.033   7.6760  122.373   8.1473 5.659767 11.19373 
1 1 1  -13    1   77 o  122.670   5.5303  102.833   9.1819   95.936   12.816  110.107   13.161  118.423   7.9860  126.918   7.6524 -8.495003 11.06055 
1 1 1  -13    1   78 o  191.232   5.0111  249.811   12.984  245.986   18.183  253.792   18.547  189.742   7.0717  192.722   7.1018 -2.980362 10.02221 
1 1 1  -13    1   79 o  119.732   7.6277  107.464   11.028  121.700   13.496   78.857   19.132  133.326   7.4698  106.139   13.301 27.18716 15.25531 
1 1 1  -13    1   80 o  167.128   10.490  193.603   23.757  193.603   23.757   0.0000   0.0000  167.128   10.490  ?   ?       ?      ? 
1 1 1  -13    1   81 o   62.268   9.8630   31.093   8.1204   17.325   13.814   38.363   10.038   50.146   17.028   74.390   9.9573 -24.24463 19.72595 
1 1 1  -13    1   82 o   85.529   7.7228   48.961   8.4459   57.662   15.089   44.991   10.192   90.481   12.306   80.576   9.3342 9.904900 15.44552 
1 1 1  -13    1   83 o   96.145   6.0146   63.949   7.8359   63.100   11.020   64.817   11.145   95.498   8.5153   96.792   8.4965 -1.294884 12.02917 
1 1 1  -13    1   84 o   77.272   6.6979   41.645   7.0118   40.523   9.9057   42.772   9.9267   76.201   9.5927   78.343   9.3502 -2.142464 13.39578 
1 1 1  -13    1   85 o  110.073   5.7048   84.097   8.5021   87.552   11.979   80.590   12.070  112.417   7.8631  107.729   8.2675 4.687309 11.40963 
1 1 1  -13    1   86 o  209.307   5.0074  302.892   14.200  295.897   20.075  309.896   20.090  206.841   7.1619  211.774   7.0003 -4.932480 10.01485 
1 1 1  -13    1   87 o  111.646   6.6627   86.215   9.6044   93.190   16.522   82.655   11.804  114.397   10.658  108.896   7.9988 5.501152 13.32541 
1 1 1  -13    1   88 o  103.708   8.2040   78.278   11.243   99.266   16.154   58.560   15.658  118.088   10.095   89.329   12.935 28.75893 16.40796 
1 1 1  -13    1   89 o   81.370   9.4707   49.873   10.168   51.737   13.973   47.774   14.826   83.994   12.276   78.745   14.425 5.248955 18.94140 
1 1 1  -13    1   90 o   58.818   15.035   27.509   12.030   27.509   12.030   0.0000   0.0000   58.818   15.035  ?   ?       ?      ? 
1 1 1  -13    1   91 o   59.860   15.404   28.916   12.568   28.916   12.568   0.0000   0.0000   59.860   15.404  ?   ?       ?      ? 
1 1 1  -13    2    1 o  366.537   5.9045  917.596   25.657  924.443   29.839  898.178   50.251  369.272   5.9629  363.801   10.193 5.471588 11.80895 
1 1 1  -13    2    2 o  589.907   8.2031  2320.43   56.292  2281.45   64.467  2445.52  115.498  579.970   8.2025  599.845   14.209 -19.87469 16.40628 
1 1 1  -13    2    3 o  488.895   7.1394  1627.56   41.222  1633.33   47.800  1610.81   81.426  490.781   7.1872  487.009   12.338 3.772583 14.27874 
1 1 1  -13    2    4 o  368.828   5.8891  911.158   25.563  899.671   29.471  946.059   51.371  364.289   5.9699  373.367   10.153 -9.078522 11.77813 
1 1 1  -13    2    5 o  256.524   5.3488  453.059   17.794  471.226   22.399  421.980   29.296  263.637   6.2695  249.411   8.6678 14.22527 10.69758 
1 1 1  -13    2    6 f  439.955   7.1225  1324.36   40.082  1280.48   68.649  1347.06   49.372  434.262   11.665  445.647   8.1753 -11.38538 14.24493 
1 1 1  -13    2    7 o  439.828   5.7747  1312.00   34.417  1322.45   48.972  1301.80   48.380  441.558   8.1842  438.098   8.1491 3.460236 11.54943 
1 1 1  -13    2    8 o  261.108   4.3941  462.212   15.547  463.654   22.091  460.797   21.885  261.511   6.2337  260.705   6.1946 0.8058472 8.788155 
1 1 1  -13    2    9 o  367.854   5.1753  917.234   25.793  938.278   36.933  897.199   36.036  371.971   7.3270  363.738   7.3109 8.233276 10.35053 
1 1 1  -13    2   10 o  490.671   6.2442  1633.11   41.517  1648.22   59.076  1618.38   58.358  492.911   8.8443  488.431   8.8169 4.480804 12.48835 
1 1 1  -13    2   11 o  593.591   7.2114  2391.21   58.008  2385.34   81.969  2397.10   82.104  592.861   10.203  594.321   10.194 -1.460449 14.42284 
1 1 1  -13    2   12 o  367.504   5.1947  915.778   25.869  924.755   36.809  907.016   36.365  369.283   7.3554  365.725   7.3375 3.558228 10.38944 
1 1 1  -13    2   13 o  357.547   7.3111  867.357   35.419  852.459   49.603  882.853   50.591  354.416   10.328  360.678   10.351 -6.261688 14.62211 
1 1 1  -13    2   14 o  176.017   5.9089  210.176   14.089  217.441   19.959  202.961   19.890  179.051   8.2258  172.982   8.4850 6.069687 11.81779 
1 1 1  -13    2   15 o  413.060   6.8629  1148.27   35.987  1131.33   43.651  1184.22   63.585  408.436   7.8865  417.683   11.234 -9.247345 13.72575 
1 1 1  -13    2   16 o  275.353   4.5414  513.945   16.944  522.167   24.122  505.936   23.807  277.526   6.4139  273.179   6.4310 4.347748 9.082753 
1 1 1  -13    2   17 o  732.891   8.5992  3646.63   85.404  3644.40  120.812  3648.86  120.748  732.667   12.168  733.116   12.154 -0.4497070 17.19837 
1 1 1  -13    2   18 o  924.327   10.541  5804.75  132.028  5874.17  188.185  5737.46  185.280  929.763   14.936  918.890   14.879 10.87323 21.08251 
1 1 1  -13    2   19 f  569.506   7.0119  2200.10   54.113  2178.92   76.147  2221.72   76.913  566.737   9.9149  572.276   9.9177 -5.538818 14.02375 
1 1 1  -13    2   20 o  455.274   5.9719  1405.55   36.843  1414.59   52.305  1396.65   51.905  456.727   8.4510  453.822   8.4401 2.904846 11.94377 
1 1 1  -13    2   21 o  914.296   12.778  5673.46  149.145  5651.59  182.377  5717.62  259.146  912.191   14.754  916.401   20.868 -4.210571 25.55655 
1 1 1  -13    2   22 o  533.946   8.1529  1935.97   55.786  1939.22   68.568  1929.62   95.943  534.729   9.4625  533.162   13.279 1.566895 16.30573 
1 1 1  -13    2   23 o  229.013   4.3795  355.319   13.588  344.938   18.984  366.222   19.457  225.585   6.2101  232.441   6.1770 -6.856049 8.759024 
1 1 1  -13    2   24 o  448.164   5.9211  1361.70   35.959  1347.43   50.614  1376.25   51.097  445.792   8.3784  450.536   8.3691 -4.743622 11.84224 
1 1 1  -13    2   25 o  357.111   6.3729  863.325   29.031  868.865   50.517  860.593   35.474  357.921   10.415  356.301   7.3470 1.619934 12.74576 
1 1 1  -13    2   26 o  730.373   10.518  3586.88   97.430  3719.25  172.684  3525.07  118.006  739.923   17.222  720.824   12.081 19.09827 21.03662 
1 1 1  -13    2   27 o  668.500   7.9866  3031.14   72.349  3007.96  101.832  3054.76  102.809  665.921   11.284  671.080   11.305 -5.159546 15.97317 
1 1 1  -13    2   28 f  547.299   6.8363  2030.34   50.692  1986.79   70.839  2076.04   72.571  541.288   9.6574  553.311   9.6785 -12.02283 13.67259 
1 1 1  -13    2   29 o  695.869   8.2684  3284.09   77.961  3327.49  111.326  3242.33  109.211  700.376   11.730  691.361   11.657 9.015381 16.53675 
1 1 1  -13    2   30 o  539.712   8.2843  1973.07   57.088  1984.55   99.137  1967.37   69.827  540.782   13.528  538.642   9.5662 2.139709 16.56855 
1 1 1  -13    2   31 o  683.233   8.1471  3164.14   75.403  3253.28  108.490  3080.85  104.873  692.532   11.560  673.934   11.483 18.59827 16.29427 
1 1 1  -13    2   32 o  706.723   10.297  3394.14   92.895  3401.78  113.754  3378.84  160.952  708.134   11.854  705.311   16.840 2.823242 20.59359 
1 1 1  -13    2   33 o  446.431   5.9614  1351.23   36.065  1356.46   51.065  1346.03   50.941  447.292   8.4247  445.569   8.4367 1.723267 11.92276 
1 1 1  -13    2   34 o  555.311   6.9314  2091.18   52.160  2103.22   74.013  2079.30   73.520  556.899   9.8073  553.724   9.7978 3.174683 13.86286 
1 1 1  -13    2   35 o  656.810   7.8949  2925.62   70.260  2979.13  100.417  2874.30   98.339  662.692   11.182  650.930   11.148 11.76208 15.78988 
1 1 1  -13    2   36 o  656.248   7.8935  2921.40   70.194  2950.82   99.843  2892.64   98.706  659.515   11.172  652.982   11.155 6.532410 15.78706 
1 1 1  -13    2   37 o  367.980   5.3560  917.984   26.707  928.019   37.939  908.127   37.603  369.974   7.5671  365.987   7.5819 3.987091 10.71197 
1 1 1  -13    2   38 o  618.206   7.5428  2592.66   63.188  2613.86   89.792  2571.86   88.937  620.709   10.675  615.703   10.659 5.006226 15.08560 
1 1 1  -13    2   39 o  503.510   6.4881  1719.42   44.269  1732.90   62.865  1706.17   62.349  505.466   9.1777  501.554   9.1734 3.912262 12.97621 
1 1 1  -13    2   40 o  541.039   6.8257  1985.33   50.039  2015.52   71.402  1956.19   70.147  545.080   9.6664  536.999   9.6395 8.080688 13.65134 
1 1 1  -13    2   41 o  323.165   5.0794  708.095   22.244  712.075   31.552  704.163   31.364  324.067   7.1847  322.262   7.1820 1.805359 10.15876 
1 1 1  -13    2   42 o  400.712   6.8467  1088.85   35.211  1087.69   43.317  1091.13   60.454  400.481   7.9817  400.944   11.126 -0.4636536 13.69332 
1 1 1  -13    2   43 o  628.337   10.807  2683.57   92.009  2626.57  128.830  2742.92  131.450  621.527   15.296  635.147   15.272 -13.62030 21.61494 
1 1 1  -13    2   44 o  553.434   6.9745  2078.39   52.305  2054.84   73.583  2102.44   74.364  550.266   9.8679  556.603   9.8591 -6.337219 13.94910 
1 1 1  -13    2   45 o  221.368   4.6329  332.198   13.894  342.909   19.809  321.824   19.495  224.881   6.5001  217.855   6.6033 7.025894 9.265805 
1 1 1  -13    2   46 o  656.014   7.9345  2922.72   70.534  2896.44   99.214  2949.58  100.294  653.034   11.211  658.994   11.231 -5.959595 15.86899 
1 1 1  -13    2   47 o  472.086   6.2529  1512.49   40.002  1503.20   56.432  1521.88   56.711  470.628   8.8484  473.543   8.8374 -2.915283 12.50574 
1 1 1  -13    2   48 o  159.388   4.6658  172.046   10.053  189.515   14.509  155.912   13.943  167.164   6.4048  151.613   6.7864 15.55125 9.331500 
1 1 1  -13    2   49 o  337.523   7.4781  774.085   34.202  777.995   48.177  770.113   48.564  338.389   10.506  336.658   10.645 1.730743 14.95629 
1 1 1  -13    2   50 o  357.578   6.6036  874.564   30.238  849.364   51.728  887.645   37.269  353.494   10.798  361.661   7.6043 -8.166748 13.20729 
1 1 1  -13    2   51 o  261.228   4.7977  462.981   16.984  459.180   23.923  466.844   24.115  260.147   6.7858  262.309   6.7842 -2.161926 9.595477 
1 1 1  -13    2   52 f  506.887   6.5869  1745.70   45.245  1757.21   64.175  1734.32   63.799  508.549   9.3122  505.224   9.3185 3.325043 13.17385 
1 1 1  -13    2   53 o  293.603   4.9836  585.015   19.827  576.425   27.873  593.815   28.209  291.421   7.0580  295.786   7.0377 -4.364563 9.967176 
1 1 1  -13    2   54 o  377.344   5.5477  966.950   28.368  958.899   39.978  975.114   40.259  375.762   7.8509  378.927   7.8402 -3.164856 11.09534 
1 1 1  -13    2   55 o  457.720   6.1699  1423.49   38.265  1398.27   53.613  1449.68   54.631  453.589   8.7222  461.851   8.7289 -8.262207 12.33978 
1 1 1  -13    2   56 o   76.820   6.3276   40.148   6.5483   34.621   9.1226   46.023   9.4052   71.347   9.4353   82.292   8.4338 -10.94498 12.65523 
1 1 1  -13    2   57 o  329.346   5.2197  736.738   23.296  731.737   32.855  741.793   33.036  328.222   7.3868  330.471   7.3768 -2.248657 10.43941 
1 1 1  -13    2   58 o  252.664   4.8141  433.491   16.483  428.770   23.224  438.283   23.397  251.277   6.8202  254.051   6.7961 -2.774399 9.628201 
1 1 1  -13    2   59 o  152.123   5.7058  156.380   11.229  160.451   19.062  154.217   13.897  153.557   9.1603  150.688   6.8053 2.869370 11.41152 
1 1 1  -13    2   60 o  214.174   6.4809  312.113   18.806  317.146   26.914  307.311   26.290  215.857   9.2008  212.491   9.1298 3.366074 12.96184 
1 1 1  -13    2   61 o  222.019   4.7590  334.803   14.314  346.808   20.375  323.105   20.112  225.954   6.6542  218.084   6.8055 7.870728 9.518006 
1 1 1  -13    2   62 o  300.519   5.0831  613.507   20.695  633.308   29.630  594.648   28.916  305.254   7.1629  295.784   7.2141 9.470367 10.16616 
1 1 1  -13    2   63 o  235.656   4.8123  377.189   15.360  394.611   21.974  360.541   21.479  240.983   6.7287  230.330   6.8816 10.65311 9.624559 
1 1 1  -13    2   64 o  229.398   4.8576  357.691   15.099  358.303   21.216  357.064   21.494  229.602   6.8188  229.194   6.9203 0.4078674 9.715279 
1 1 1  -13    2   65 o  268.463   6.2955  498.716   21.492  514.314   26.431  468.277   36.923  275.026   7.0919  261.899   10.404 13.12683 12.59091 
1 1 1  -13    2   66 o  355.405   6.7883  862.393   30.735  859.463   53.455  863.840   37.565  354.544   11.126  356.267   7.7808 -1.723572 13.57667 
1 1 1  -13    2   67 o  205.770   4.8665  287.796   13.561  303.075   19.395  273.183   18.967  211.121   6.7793  200.418   6.9837 10.70299 9.732961 
1 1 1  -13    2   68 o  178.834   4.9633  217.472   12.024  209.696   16.840  225.561   17.175  175.568   7.0778  182.101   6.9601 -6.532471 9.926649 
1 1 1  -13    2   69 o  497.247   6.6310  1686.57   44.667  1736.40   64.151  1639.68   62.231  504.367   9.3858  490.126   9.3696 14.24130 13.26208 
1 1 1  -13    2   70 o  333.347   5.4047  756.782   24.415  755.606   34.511  757.961   34.544  333.087   7.6458  333.607   7.6411 -0.5198059 10.80944 
1 1 1  -13    2   71 o  265.424   5.0504  479.477   18.162  491.637   25.907  467.724   25.469  268.737   7.1139  262.110   7.1706 6.627045 10.10073 
1 1 1  -13    2   72 o  128.352   5.4270  112.172   9.3921  127.998   13.558   97.573   13.022  137.083   7.2987  119.620   8.0335 17.46263 10.85395 
1 1 1  -13    2   73 o   88.070   6.5843   53.163   7.7665   63.936   11.189   43.147   10.789   96.765   8.5329   79.375   10.030 17.39034 13.16866 
1 1 1  -13    2   74 o  184.738   5.9998  234.310   14.277  229.416   24.166  236.934   17.695  183.006   9.7443  186.470   7.0027 -3.464310 11.99957 
1 1 1  -13    2   75 o  216.353   5.9083  312.998   16.497  298.144   20.216  342.611   28.544  209.094   7.1345  223.613   9.4198 -14.51909 11.81666 
1 1 1  -13    2   76 o  165.857   6.0757  185.123   13.082  177.616   16.166  199.366   22.266  161.289   7.3962  170.426   9.6411 -9.137070 12.15131 
1 1 1  -13    2   77 o  184.359   6.3655  235.347   14.787  227.228   26.024  239.218   17.969  181.551   10.578  187.166   7.0847 -5.614975 12.73099 
1 1 1  -13    2   78 o  122.010   5.6771  102.175   9.3408   89.901   13.110  114.831   13.312  114.481   8.4505  129.538   7.5835 -15.05695 11.35429 
1 1 1  -13    2   79 o   65.101   10.071   32.148   8.2485   35.287   9.9573   25.283   14.725   71.439   10.286   58.764   17.317 12.67525 20.14140 
1 1 1  -13    2   80 o  164.608   6.3050  181.227   13.110  202.044   23.758  172.112   15.720  170.751   10.267  158.465   7.3206 12.28583 12.61002 
1 1 1  -13    2   81 o   99.527   7.7608   71.004   9.5202   64.102   17.048   74.131   11.476   95.285   13.203  103.769   8.1612 -8.483971 15.52170 
1 1 1  -13    2   82 o  155.299   5.0514  165.660   10.630  164.295   15.021  167.029   15.047  154.651   7.1672  155.946   7.1202 -1.295319 10.10280 
1 1 1  -13    2   83 o   70.203   7.2284   34.517   6.8589   32.057   9.7667   36.912   9.6346   67.637   10.656   72.770   9.7701 -5.133354 14.45678 
1 1 1  -13    2   84 o   44.839   9.2377   14.393   6.2212   8.6964   8.6963   20.365   8.9034   37.241   13.446   52.437   12.671 -15.19595 18.47549 
1 1 1  -13    2   85 o   95.519   5.9555   63.483   7.6987   59.471   10.832   67.578   10.944   92.401   8.6510   98.637   8.1873 -6.236717 11.91105 
1 1 1  -13    2   86 o  148.326   5.0953  152.279   10.233  160.523   14.576  144.265   14.370  152.348   7.0602  144.304   7.3485 8.043243 10.19055 
1 1 1  -13    2   87 o   36.916   9.9998   6.7115   6.7926   12.216   11.496   3.7590   8.4196   42.528   15.443   31.305   12.708 11.22330 19.99961 
1 1 1  -13    2   88 o  108.967   7.7145   85.277   11.362   77.532   15.842   93.482   16.306  103.662   11.277  114.273   10.530 -10.61147 15.42898 
1 1 1  -13    2   89 o   88.678   8.5215   57.553   10.225   61.922   14.675   53.431   14.253   92.106   11.758   85.250   12.338 6.855904 17.04303 
1 1 1  -13    2   90 o   92.779   8.4038   63.254   10.540   69.198   15.134   57.656   14.687   97.251   11.484   88.308   12.273 8.942833 16.80753 
1 1 1  -13    2   91 o   49.518   15.708   19.636   11.834   19.636   11.834   0.0000   0.0000   49.518   15.708  ?   ?       ?      ? 
1 1 1  -13    2   92 o   66.259   15.461   35.677   13.629   35.677   13.629   0.0000   0.0000   66.259   15.461  ?   ?       ?      ? 
1 1 1  -13    3    1 o  543.325   6.7168  2002.51   49.453  2020.86   70.275  1984.51   69.604  545.791   9.5014  540.859   9.4966 4.931152 13.43366 
1 1 1  -13    3    2 o  816.323   10.833  4489.28  103.399  4450.13  118.946  4610.35  209.184  809.763   10.839  822.883   18.759 -13.12042 21.66539 
1 1 1  -13    3    3 o  664.585   9.0826  3012.70   71.348  3026.59   82.796  2972.62  140.626  667.953   9.1470  661.217   15.694 6.735657 18.16521 
1 1 1  -13    3    4 o  616.019   8.5127  2564.36   61.666  2552.15   71.203  2601.03  123.348  613.409   8.5657  618.629   14.714 -5.219238 17.02534 
1 1 1  -13    3    5 o  935.757   12.288  5970.05  135.424  5981.83  156.774  5935.45  268.797  938.576   12.326  932.938   21.261 5.639038 24.57588 
1 1 1  -13    3    6 o  867.599   11.442  5064.70  115.807  5012.75  133.024  5227.33  235.359  859.322   11.423  875.877   19.829 -16.55536 22.88424 
1 1 1  -13    3    7 o  884.326   12.385  5308.55  139.952  5281.54  171.251  5362.87  242.843  881.588   14.335  887.065   20.202 -5.477722 24.77066 
1 1 1  -13    3    8 f  925.694   10.541  5823.33  132.216  5905.88  188.778  5743.84  185.237  932.125   14.945  919.264   14.870 12.86157 21.08225 
1 1 1  -13    3    9 o  630.865   7.5705  2700.84   64.718  2724.27   92.039  2677.92   91.021  633.570   10.720  628.160   10.693 5.410156 15.14103 
1 1 1  -13    3   10 o  668.123   7.9376  3029.93   71.867  3025.42  101.550  3034.45  101.721  667.626   11.224  668.621   11.227 -0.9951782 15.87530 
1 1 1  -13    3   11 o  829.896   9.5567  4678.30  107.476  4693.92  152.368  4662.83  151.623  831.273   13.526  828.518   13.505 2.755127 19.11345 
1 1 1  -13    3   12 o  554.138   6.8355  2083.22   51.330  2086.93   72.745  2079.55   72.438  554.627   9.6787  553.649   9.6550 0.9786987 13.67104 
1 1 1  -13    3   13 f  345.835   6.2582  819.010   27.614  834.955   33.949  787.830   47.473  350.920   7.1389  340.749   10.281 10.17068 12.51641 
1 1 1  -13    3   14 o  277.501   5.6556  521.050   19.917  518.921   24.212  525.505   35.028  276.667   6.4578  278.336   9.2866 -1.669098 11.31128 
1 1 1  -13    3   15 o  599.860   7.2835  2441.24   59.206  2421.06   83.370  2461.77   84.094  597.360   10.299  602.360   10.302 -5.000488 14.56705 
1 1 1  -13    3   16 o  565.910   6.9590  2172.50   53.368  2169.02   75.444  2175.98   75.502  565.457   9.8456  566.364   9.8374 -0.9067993 13.91800 
1 1 1  -13    3   17 o  485.891   6.2273  1601.12   41.004  1594.39   57.914  1607.88   58.062  484.868   8.8141  486.915   8.7994 -2.047241 12.45468 
1 1 1  -13    3   18 o  728.121   12.098  3603.87  119.364  3564.47  168.405  3643.65  169.210  724.114   17.162  732.128   17.055 -8.014038 24.19519 
1 1 1  -13    3   19 o  766.359   17.939  3993.09  186.295  3993.09  186.295   0.0000   0.0000  766.359   17.939  ?   ?       ?      ? 
1 1 1  -13    3   20 o  847.396   13.793  4874.90  158.391  4874.90  158.391   0.0000   0.0000  847.396   13.793  ?   ?       ?      ? 
1 1 1  -13    3   21 o  1192.79   13.351  9671.13  215.771  9813.58  308.291  9534.34  302.096  1201.38   18.936  1184.19   18.825 17.19202 26.70160 
1 1 1  -13    3   22 o  953.283   10.842  6170.62  140.054  6131.21  197.254  6210.68  198.888  950.216   15.319  956.351   15.347 -6.134338 21.68355 
1 1 1  -13    3   23 o  533.612   6.6984  1929.73   48.422  1880.18   67.506  1982.25   69.497  526.561   9.4604  540.662   9.4854 -14.10175 13.39673 
1 1 1  -13    3   24 f  492.579   6.3254  1645.15   42.223  1651.63   59.807  1638.72   59.617  493.546   8.9422  491.613   8.9489 1.932648 12.65086 
1 1 1  -13    3   25 f  962.210   13.440  6332.33  165.949  6168.05  282.863  6418.55  204.921  952.141   21.923  972.278   15.553 -20.13696 26.87930 
1 1 1  -13    3   26 f  762.301   10.937  3944.03  106.408  3949.29  184.697  3941.42  130.185  762.422   17.876  762.180   12.604 0.2420044 21.87317 
1 1 1  -13    3   27 o  315.872   4.9208  676.115   21.060  660.488   29.509  692.337   30.066  312.153   6.9759  319.591   6.9422 -7.438202 9.841588 
1 1 1  -13    3   28 o  394.904   6.7278  1063.07   34.138  1039.67   58.113  1075.41   42.184  391.519   10.953  398.289   7.8157 -6.770050 13.45566 
1 1 1  -13    3   29 o  427.461   7.0514  1240.38   38.613  1235.19   66.445  1243.02   47.447  426.727   11.490  428.194   8.1768 -1.466675 14.10273 
1 1 1  -13    3   30 o  676.140   8.0633  3101.00   73.881  3091.00  104.301  3111.07  104.667  675.046   11.402  677.234   11.405 -2.187805 16.12666 
1 1 1  -13    3   31 o  907.416   12.774  5632.53  148.733  5714.60  183.690  5476.28  253.443  917.502   14.774  897.330   20.842 20.17188 25.54740 
1 1 1  -13    3   32 o  659.858   9.7471  2975.16   82.430  3017.91  101.661  2893.10  140.837  667.011   11.247  652.706   15.923 14.30530 19.49429 
1 1 1  -13    3   33 o  742.837   8.7331  3743.26   87.901  3801.44  125.490  3687.21  123.165  748.501   12.372  737.173   12.329 11.32794 17.46626 
1 1 1  -13    3   34 o  792.947   9.2392  4267.30   99.280  4265.59  140.360  4269.02  140.448  792.788   13.065  793.106   13.068 -0.3180542 18.47850 
1 1 1  -13    3   35 o  738.804   8.7069  3703.77   87.168  3672.36  122.604  3735.89  123.956  735.638   12.299  741.971   12.328 -6.333435 17.41379 
1 1 1  -13    3   36 o  510.637   6.5487  1767.99   45.311  1741.03   63.511  1795.94   64.663  506.674   9.2499  514.601   9.2726 -7.927124 13.09740 
1 1 1  -13    3   37 f  809.502   9.4181  4448.93  103.314  4439.12  145.815  4458.82  146.403  808.607   13.307  810.397   13.331 -1.789612 18.83611 
1 1 1  -13    3   38 o  488.387   6.3562  1617.67   42.066  1609.44   59.290  1626.00   59.694  487.138   8.9814  489.636   8.9965 -2.498535 12.71236 
1 1 1  -13    3   39 o  451.473   6.0475  1382.36   36.999  1379.72   52.305  1385.01   52.344  451.041   8.5574  451.906   8.5475 -0.8652954 12.09499 
1 1 1  -13    3   40 o  777.313   9.1047  4103.04   95.904  4124.78  136.081  4081.58  135.181  779.358   12.885  775.268   12.867 4.089722 18.20936 
1 1 1  -13    3   41 o  909.588   10.462  5620.97  128.930  5521.36  180.051  5725.80  184.709  901.330   14.741  917.845   14.850 -16.51465 20.92440 
1 1 1  -13    3   42 o  518.268   9.3544  1824.54   65.692  1789.88   92.436  1859.90   93.376  513.289   13.289  523.246   13.169 -9.956726 18.70875 
1 1 1  -13    3   43 o  624.029   9.3523  2654.31   74.704  2620.36  128.444  2671.66   91.834  620.713   15.270  627.346   10.802 -6.632813 18.70458 
1 1 1  -13    3   44 o  507.552   6.5557  1747.97   45.089  1732.11   63.467  1764.14   64.067  505.227   9.2701  509.876   9.2723 -4.649780 13.11141 
1 1 1  -13    3   45 o  777.763   9.1364  4109.61   96.270  4204.43  138.097  4019.97  134.275  786.479   12.957  769.047   12.884 17.43188 18.27289 
1 1 1  -13    3   46 f  769.003   9.0501  4020.20   94.308  4053.88  134.070  3987.22  132.684  772.187   12.812  765.818   12.785 6.369141 18.10022 
1 1 1  -13    3   47 o  471.087   6.2539  1504.51   39.900  1565.92   57.610  1447.91   55.314  480.313   8.8509  461.861   8.8377 18.45160 12.50773 
1 1 1  -13    3   48 o  361.789   7.7108  889.466   37.799  889.191   53.030  889.750   53.892  361.740   10.818  361.837   10.991 -0.9713745E-01 15.42154 
1 1 1  -13    3   49 o  246.996   6.8259  414.634   22.824  437.132   32.327  392.273   32.229  253.697   9.4030  240.296   9.8972 13.40051 13.65172 
1 1 1  -13    3   50 o  208.343   4.6065  294.416   13.004  287.692   18.259  301.337   18.524  205.929   6.5431  210.758   6.4860 -4.829254 9.213060 
1 1 1  -13    3   51 o  462.325   6.1974  1451.77   38.827  1454.75   54.968  1448.81   54.853  462.798   8.7646  461.852   8.7642 0.9462891 12.39475 
1 1 1  -13    3   52 o  559.665   7.0571  2129.50   53.523  2136.43   75.788  2122.61   75.596  560.574   9.9767  558.756   9.9838 1.817932 14.11423 
1 1 1  -13    3   53 o  228.202   4.6860  353.236   14.483  337.215   20.253  370.003   20.720  222.905   6.7049  233.499   6.5482 -10.59412 9.371964 
1 1 1  -13    3   54 o   81.728   5.9559   45.377   6.5902   42.789   9.2417   48.054   9.4002   79.353   8.5943   84.102   8.2480 -4.749512 11.91177 
1 1 1  -13    3   55 o  271.649   4.8873  500.875   17.989  510.749   25.659  491.331   25.227  274.281   6.9034  269.016   6.9199 5.265533 9.774571 
1 1 1  -13    3   56 o  330.925   5.2351  743.523   23.472  723.158   32.849  764.764   33.549  326.294   7.4291  335.555   7.3780 -9.260742 10.47023 
1 1 1  -13    3   57 o  270.489   4.8869  496.853   17.913  497.172   25.336  496.535   25.330  270.576   6.9097  270.402   6.9125 0.1736450 9.773755 
1 1 1  -13    3   58 o  245.162   5.8024  401.732   18.182  429.172   31.948  388.586   22.113  251.122   9.3881  239.201   6.8218 11.92130 11.60488 
1 1 1  -13    3   59 o  207.505   5.7294  290.286   15.335  300.799   26.260  284.845   18.891  210.227   9.2177  204.784   6.8072 5.442703 11.45879 
1 1 1  -13    3   60 o  139.906   5.7191  131.476   10.453  127.189   13.043  139.173   17.477  136.820   7.0348  142.993   9.0190 -6.173218 11.43814 
1 1 1  -13    3   61 o  192.493   4.7322  251.492   12.335  238.589   17.182  265.215   17.720  187.397   6.7661  197.589   6.6178 -10.19159 9.464428 
1 1 1  -13    3   62 f  278.918   4.9897  528.482   18.855  515.447   26.320  542.224   27.024  275.388   7.0527  282.449   7.0602 -7.061493 9.979383 
1 1 1  -13    3   63 o  353.860   5.4550  851.754   26.157  853.829   36.870  849.652   37.115  354.301   7.6793  353.420   7.7496 0.8801880 10.91000 
1 1 1  -13    3   64 o  314.264   6.5314  672.903   25.922  672.545   31.412  673.667   45.898  314.466   7.3712  314.062   10.784 0.4042053 13.06289 
1 1 1  -13    3   65 o  143.152   6.1658  133.344   11.221  157.652   20.329  122.693   13.457  152.003   9.8691  134.300   7.3940 17.70238 12.33168 
1 1 1  -13    3   66 o  133.727   6.4621  124.461   10.911  114.754   18.903  129.311   13.362  129.573   10.765  137.880   7.1513 -8.307846 12.92420 
1 1 1  -13    3   67 o  258.011   4.9930  452.622   17.453  440.116   24.399  465.728   24.976  254.360   7.0786  261.661   7.0438 -7.301300 9.986061 
1 1 1  -13    3   68 o  220.137   4.9946  329.395   14.892  315.160   20.731  344.573   21.406  215.221   7.1080  225.052   7.0188 -9.830826 9.989297 
1 1 1  -13    3   69 o  383.083   5.7179  999.492   29.676  1029.09   42.461  971.227   41.492  388.631   8.0626  377.534   8.1100 11.09708 11.43578 
1 1 1  -13    3   70 o  205.888   4.9303  288.487   13.756  290.053   19.464  286.923   19.443  206.449   6.9571  205.328   6.9879 1.121078 9.860618 
1 1 1  -13    3   71 o  147.294   6.3954  155.070   12.058  175.234   15.414  123.281   19.354  160.430   7.0901  134.158   10.646 26.27161 12.79073 
1 1 1  -13    3   72 o  127.886   7.7166  109.658   13.171  140.773   20.237   86.791   17.348  143.341   10.418  112.430   11.386 30.91093 15.43325 
1 1 1  -13    3   73 o  162.582   7.1476  180.118   15.748   0.0000   0.0000  180.118   15.748  ?   ?   162.582   7.1476      ?      ? 
1 1 1  -13    3   74 o  138.454   5.3605  130.522   10.029  144.954   14.519  117.351   13.870  145.788   7.3489  131.120   7.8059 14.66788 10.72092 
1 1 1  -13    3   75 o  110.452   6.6453   79.930   9.5969   70.579   11.841   97.829   16.383  101.560   8.6039  119.344   10.130 -17.78415 13.29052 
1 1 1  -13    3   76 f  135.794   6.5379  131.835   11.324  145.585   14.301  108.716   18.543  146.018   7.2271  125.569   10.897 20.44981 13.07587 
1 1 1  -13    3   77 o  154.589   5.1699  163.300   10.829  167.244   15.458  159.500   15.174  156.424   7.2924  152.753   7.3304 3.671356 10.33989 
1 1 1  -13    3   78 o  218.049   6.2151  324.801   17.180  321.327   20.846  332.157   30.332  216.772   7.0965  219.327   10.205 -2.554886 12.43023 
1 1 1  -13    3   79 o  133.722   5.3999  122.592   9.7827  122.134   13.672  123.072   14.004  133.482   7.5582  133.962   7.7142 -0.4794617 10.79973 
1 1 1  -13    3   80 o  252.074   6.2819  438.924   20.108  436.303   35.120  440.202   24.526  250.726   10.337  253.421   7.1417 -2.695068 12.56380 
1 1 1  -13    3   81 o  122.387   6.8029  105.599   10.504   98.919   18.261  108.903   12.842  118.901   11.333  125.874   7.5284 -6.973000 13.60575 
1 1 1  -13    3   82 o  123.314   5.3703  104.712   8.9721  105.199   12.840  104.247   12.542  123.575   7.6674  123.053   7.5214 0.5218658 10.74060 
1 1 1  -13    3   83 o   66.773   7.9590   31.996   6.9450   38.737   9.9726   25.648   9.6774   74.466   9.8825   59.079   12.479 15.38682 15.91807 
1 1 1  -13    3   84 o  132.197   5.2715  120.731   9.4145  108.632   13.147  133.464   13.488  125.299   7.7429  139.094   7.1555 -13.79584 10.54294 
1 1 1  -13    3   85 o   81.074   6.6160   46.129   7.2330   40.615   10.138   51.846   10.323   75.988   9.8449   86.160   8.8410 -10.17181 13.23204 
1 1 1  -13    3   86 o   90.314   7.5352   59.496   8.6790   52.979   14.499   63.134   10.834   85.555   12.506   95.073   8.4094 -9.518021 15.07043 
1 1 1  -13    3   87 o   61.899   9.3773   29.244   7.4524   26.469   12.545   30.757   9.2644   58.119   15.601   65.679   10.409 -7.559643 18.75464 
1 1 1  -13    3   88 o   38.471   10.607   8.3758   8.0028   10.177   11.420   6.6374   11.218   40.154   15.235   36.789   14.761 3.365452 21.21347 
1 1 1  -13    3   89 o   97.425   8.1417   69.195   10.744   71.499   15.467   67.046   14.936   98.981   11.531   95.869   11.497 3.111443 16.28349 
1 1 1  -13    3   90 o   62.332   15.521   31.299   13.061   31.299   13.061   0.0000   0.0000   62.332   15.521  ?   ?       ?      ? 
1 1 1  -13    3   91 o   98.410   11.737   71.645   15.652   71.645   15.652   0.0000   0.0000   98.410   11.737  ?   ?       ?      ? 
1 1 1  -13    3   92 f   86.895   12.539   56.847   14.765   56.847   14.765   0.0000   0.0000   86.895   12.539  ?   ?       ?      ? 
1 1 1  -13    4    1 o  738.064   8.6211  3692.71   86.172  3569.26  119.335  3827.21  124.564  725.195   12.143  750.932   12.241 -25.73724 17.24211 
1 1 1  -13    4    2 o  701.041   8.2594  3333.32   78.442  3256.98  109.348  3414.26  112.591  692.779   11.647  709.303   11.714 -16.52399 16.51885 
1 1 1  -13    4    3 o  760.821   8.8543  3927.91   91.273  3857.46  127.604  4001.71  130.607  753.842   12.491  767.801   12.553 -13.95844 17.70867 
1 1 1  -13    4    4 o  782.385   10.437  4168.23   96.368  4178.67  111.682  4137.79  190.675  784.803   10.501  779.967   18.040 4.835388 20.87380 
1 1 1  -13    4    5 o  478.512   7.0124  1559.15   39.860  1565.55   46.368  1541.03   78.019  480.536   7.1204  476.488   12.083 4.048370 14.02480 
1 1 1  -13    4    6 o  518.673   7.4607  1841.28   46.060  1859.18   53.717  1791.56   89.514  523.644   7.5700  513.701   12.859 9.942322 14.92146 
1 1 1  -13    4    7 o  506.426   7.7949  1737.22   50.813  1730.55   62.667  1750.02   86.822  505.124   9.1550  507.729   12.619 -2.605255 15.58988 
1 1 1  -13    4    8 o  475.948   6.9859  1531.18   39.335  1525.46   45.568  1547.89   77.916  474.345   7.0889  477.550   12.040 -3.204803 13.97181 
1 1 1  -13    4    9 o  799.061   10.650  4351.29  100.452  4365.38  116.452  4310.33  198.572  802.123   10.713  796.000   18.409 6.122925 21.29911 
1 1 1  -13    4   10 o  751.342   8.7565  3831.02   89.146  3884.07  127.234  3779.86  124.941  756.447   12.412  746.236   12.355 10.21057 17.51301 
1 1 1  -13    4   11 o  704.630   8.2932  3368.89   79.183  3323.97  111.126  3415.22  112.857  699.861   11.717  709.400   11.740 -9.538696 16.58643 
1 1 1  -13    4   12 o  726.099   10.379  3562.63   96.139  3527.29  117.305  3634.92  167.787  720.932   12.007  731.266   16.932 -10.33392 20.75703 
1 1 1  -13    4   13 o  567.492   9.8648  2184.41   75.863  2184.41   75.863   0.0000   0.0000  567.492   9.8648  ?   ?       ?      ? 
1 1 1  -13    4   14 o  718.696   11.944  3505.12  116.324  3505.12  116.324   0.0000   0.0000  718.696   11.944  ?   ?       ?      ? 
1 1 1  -13    4   15 o  928.142   12.909  5789.13  151.862  5669.22  183.698  6047.98  269.905  913.677   14.836  942.607   21.130 -28.93036 25.81845 
1 1 1  -13    4   16 o  560.284   6.9112  2128.89   52.472  2108.02   73.816  2150.20   74.604  557.510   9.7705  563.059   9.7774 -5.549316 13.82244 
1 1 1  -13    4   17 o  405.327   5.5317  1113.78   30.384  1121.53   43.153  1106.16   42.787  406.724   7.8293  403.928   7.8168 2.795990 11.06347 
1 1 1  -13    4   18 o  549.861   6.8344  2050.37   50.925  2041.79   71.844  2059.04   72.196  548.705   9.6620  551.017   9.6686 -2.312073 13.66880 
1 1 1  -13    4   19 o  812.264   9.3943  4477.61  103.406  4466.98  146.030  4488.29  146.446  811.298   13.282  813.230   13.289 -1.932068 18.78862 
1 1 1  -13    4   20 o  977.242   11.085  6481.84  146.758  6624.24  210.525  6347.21  204.694  987.671   15.729  966.813   15.624 20.85864 22.16991 
1 1 1  -13    4   21 o  1032.66   11.664  7242.73  163.228  7234.64  230.751  7250.84  230.928  1032.08   16.499  1033.24   16.493 -1.155762 23.32837 
1 1 1  -13    4   22 o  724.902   8.5260  3563.74   83.739  3497.23  117.100  3633.34  119.797  717.985   12.035  731.820   12.080 -13.83484 17.05201 
1 1 1  -13    4   23 o  290.685   5.8868  579.838   21.767  552.351   37.549  593.750   26.714  285.402   9.7085  295.967   6.6605 -10.56503 11.77361 
1 1 1  -13    4   24 o  352.233   7.4187  840.591   35.393  811.677   49.157  871.714   51.001  345.950   10.486  358.516   10.498 -12.56573 14.83733 
1 1 1  -13    4   25 o  589.571   14.583  2359.38  116.508   0.0000   0.0000  2359.38  116.508  ?   ?   589.571   14.583      ?      ? 
1 1 1  -13    4   26 o  592.396   8.8397  2362.28   66.681  2435.17  117.109  2327.31   81.114  598.976   14.428  585.816   10.218 13.16071 17.67940 
1 1 1  -13    4   27 o  754.179   8.8345  3858.10   90.279  3915.65  128.919  3802.72  126.464  759.695   12.523  748.664   12.465 11.03088 17.66907 
1 1 1  -13    4   28 o  302.617   4.8395  620.744   19.846  622.030   28.099  619.463   28.035  302.930   6.8448  302.305   6.8435 0.6255798 9.679040 
1 1 1  -13    4   29 o  666.239   7.9708  3009.98   71.953  3062.86  102.868  2959.33  100.680  671.965   11.297  660.514   11.248 11.45074 15.94163 
1 1 1  -13    4   30 o  972.865   11.062  6426.02  145.822  6352.01  204.709  6502.26  207.772  967.182   15.619  978.547   15.668 -11.36554 22.12330 
1 1 1  -13    4   31 o  601.068   9.0669  2448.09   69.386  2441.29   84.639  2462.01  121.164  599.953   10.410  602.183   14.848 -2.229919 18.13379 
1 1 1  -13    4   32 o  542.384   6.8282  1994.83   50.185  2018.09   71.420  1972.14   70.533  545.507   9.6613  539.260   9.6519 6.246765 13.65646 
1 1 1  -13    4   33 f  767.803   8.9917  4000.82   93.556  3983.76  131.984  4018.05  132.634  766.158   12.712  769.448   12.720 -3.289917 17.98343 
1 1 1  -13    4   34 o  786.836   9.2076  4201.48   98.167  4268.47  140.095  4136.87  137.596  792.995   13.037  780.678   13.006 12.31696 18.41519 
1 1 1  -13    4   35 o  995.377   11.309  6732.28  152.538  6732.00  215.725  6732.56  215.719  995.356   15.993  995.398   15.992 -0.4150391E-01 22.61720 
1 1 1  -13    4   36 o  837.802   9.7028  4765.73  110.150  4824.67  157.010  4708.60  154.571  842.899   13.746  832.705   13.698 10.19397 19.40561 
1 1 1  -13    4   37 o  310.603   4.9899  654.067   21.002  648.197   29.632  659.993   29.772  309.202   7.0719  312.003   7.0416 -2.801636 9.979752 
1 1 1  -13    4   38 o  459.616   6.1161  1432.68   38.093  1420.40   53.641  1445.18   54.105  457.628   8.6497  461.604   8.6493 -3.975708 12.23229 
1 1 1  -13    4   39 o  644.566   7.8034  2819.66   68.159  2838.87   96.815  2800.78   95.973  646.742   11.047  642.391   11.025 4.351379 15.60680 
1 1 1  -13    4   40 f  600.291   8.9747  2401.21   68.184  2322.64   82.145  2575.26  122.260  585.031   10.361  615.550   14.657 -30.51843 17.94930 
1 1 1  -13    4   41 o  269.478   5.8086  498.432   20.300  513.825   25.487  471.725   33.572  275.280   6.8323  263.677   9.3955 11.60318 11.61710 
1 1 1  -13    4   42 o  380.867   6.7758  985.584   32.940  980.778   57.082  987.983   40.334  380.073   11.083  381.662   7.7985 -1.589752 13.55160 
1 1 1  -13    4   43 o  615.885   7.5571  2574.95   63.066  2540.76   88.487  2610.25   89.908  611.731   10.674  620.038   10.700 -8.306885 15.11416 
1 1 1  -13    4   44 o  556.120   6.9990  2099.50   52.746  2104.32   74.712  2094.71   74.475  556.756   9.9025  555.484   9.8936 1.271912 13.99799 
1 1 1  -13    4   45 o  385.505   5.5656  1008.12   29.073  991.236   40.836  1025.48   41.401  382.231   7.8837  388.779   7.8582 -6.548584 11.13122 
1 1 1  -13    4   46 o  328.721   5.1633  733.039   23.000  738.438   32.638  727.711   32.417  329.924   7.3000  327.518   7.3040 2.405334 10.32653 
1 1 1  -13    4   47 o  280.256   7.0139  533.306   26.623  528.047   36.954  538.981   38.387  278.830   9.7799  281.682   10.057 -2.852539 14.02785 
1 1 1  -13    4   48 o  447.286   8.6466  1360.48   52.390  1339.52   72.899  1382.89   75.344  443.739   12.123  450.834   12.332 -7.095062 17.29320 
1 1 1  -13    4   49 o  367.701   5.4482  917.344   27.142  895.288   37.965  940.404   38.819  363.181   7.7140  372.221   7.6959 -9.039764 10.89640 
1 1 1  -13    4   50 o  486.609   6.4083  1608.61   42.257  1609.01   59.782  1608.22   59.741  486.669   9.0647  486.549   9.0607 0.1196594 12.81654 
1 1 1  -13    4   51 f  307.897   5.0573  643.151   21.096  662.028   30.206  625.175   29.476  312.307   7.1372  303.488   7.1671 8.819122 10.11467 
1 1 1  -13    4   52 o  133.412   4.8480  120.791   8.7637  121.824   12.512  119.797   12.279  133.971   6.8917  132.854   6.8204 1.117081 9.696045 
1 1 1  -13    4   53 o  144.432   4.7770  141.618   9.3475  137.763   13.206  145.489   13.233  142.459   6.8407  146.406   6.6697 -3.946777 9.554069 
1 1 1  -13    4   54 o  312.699   5.1149  663.533   21.666  687.339   31.079  641.022   30.221  318.154   7.2085  307.243   7.2584 10.91119 10.22971 
1 1 1  -13    4   55 o  156.071   4.7692  165.324   10.084  170.612   14.391  160.223   14.135  158.524   6.6992  153.618   6.7898 4.906296 9.538358 
1 1 1  -13    4   56 o  238.539   4.7731  386.026   15.415  363.349   21.483  410.094   22.132  231.316   6.8534  245.761   6.6455 -14.44533 9.546248 
1 1 1  -13    4   57 o  326.201   5.2429  722.919   23.174  725.636   33.031  720.285   32.520  326.799   7.4585  325.602   7.3703 1.196533 10.48574 
1 1 1  -13    4   58 o  250.492   5.8465  415.174   18.645  459.982   33.276  394.671   22.510  259.940   9.4467  241.044   6.8911 18.89536 11.69309 
1 1 1  -13    4   59 o  137.959   5.8348  129.509   10.487  129.665   13.139  129.235   17.406  138.146   7.0183  137.772   9.3232 0.3737030 11.66952 
1 1 1  -13    4   60 o  113.529   6.4075   91.690   9.3051  102.613   11.838   74.029   15.053  122.879   7.1091  104.178   10.662 18.70165 12.81506 
1 1 1  -13    4   61 o  126.629   5.1259  109.001   8.7866  102.430   12.333  115.774   12.521  122.744   7.4147  130.513   7.0796 -7.769508 10.25174 
1 1 1  -13    4   62 o  186.861   4.7996  237.163   12.147  226.249   16.978  248.607   17.386  182.453   6.8668  191.269   6.7076 -8.816010 9.599164 
1 1 1  -13    4   63 o  188.510   6.0547  236.084   14.333  226.846   17.131  257.646   26.171  182.675   6.9202  194.344   9.9372 -11.66994 12.10936 
1 1 1  -13    4   64 o  183.934   4.8551  230.018   12.097  238.171   17.172  221.985   17.045  187.178   6.7698  180.689   6.9612 6.488922 9.710204 
1 1 1  -13    4   65 o  314.478   6.4237  665.824   25.678  698.479   45.417  650.482   31.131  319.754   10.481  309.203   7.4295 10.55145 12.84745 
1 1 1  -13    4   66 o  444.700   6.1963  1346.89   37.325  1301.16   51.944  1395.71   53.669  436.898   8.7735  452.501   8.7523 -15.60300 12.39262 
1 1 1  -13    4   67 o  165.194   6.0785  189.395   13.059  199.212   16.562  173.260   21.234  171.110   7.1427  159.279   9.8375 11.83162 12.15709 
1 1 1  -13    4   68 o  136.978   7.2698  128.439   13.426  126.648   19.944  129.923   18.155  136.038   10.819  137.918   9.7137 -1.879852 14.53964 
1 1 1  -13    4   69 o  211.108   4.9261  303.262   14.091  304.725   20.085  301.843   19.775  211.605   7.0042  210.611   6.9287 0.9933624 9.852161 
1 1 1  -13    4   70 o  197.710   4.9240  266.020   13.186  254.693   18.505  277.704   18.795  193.423   7.0598  201.997   6.8661 -8.574585 9.848043 
1 1 1  -13    4   71 o  229.277   4.9608  357.960   15.413  359.751   21.811  356.174   21.784  229.852   7.0024  228.702   7.0289 1.149948 9.921639 
1 1 1  -13    4   72 o  155.066   6.1479  164.888   12.334  162.147   20.705  166.395   15.356  153.870   9.9297  156.261   7.2519 -2.391464 12.29587 
1 1 1  -13    4   73 o  214.835   5.9678  314.870   16.501  316.959   28.177  313.779   20.357  215.095   9.6669  214.574   7.0009 0.5214996 11.93570 
1 1 1  -13    4   74 o  161.789   5.0913  178.561   11.161  178.895   15.669  178.217   15.902  161.952   7.1397  161.626   7.2603 0.3255920 10.18270 
1 1 1  -13    4   75 o  157.477   5.9796  164.536   12.210  152.894   14.983  187.555   21.067  149.629   7.3890  165.324   9.4035 -15.69492 11.95924 
1 1 1  -13    4   76 o  219.788   5.0055  329.395   14.885  304.581   20.639  356.293   21.489  211.142   7.2133  228.433   6.9417 -17.29114 10.01093 
1 1 1  -13    4   77 o  132.010   6.6509  117.766   11.112  114.020   13.397  126.022   19.889  129.051   7.6607  134.968   10.874 -5.917099 13.30183 
1 1 1  -13    4   78 o   59.784   9.0308   25.865   7.0916   25.238   9.8602   26.538   10.207   59.034   12.702   60.533   12.841 -1.498848 18.06169 
1 1 1  -13    4   79 f   41.526   8.0817   8.1345   6.3022  -7.6669   8.7354   25.287   9.1011   23.820   11.096   59.231   11.754 -35.41056 16.16349 
1 1 1  -13    4   80 o  109.564   7.0063   81.362   9.7834   89.044   17.350   77.780   11.846  112.867   11.343  106.262   8.2267 6.605789 14.01258 
1 1 1  -13    4   81 o  134.308   5.2980  124.053   9.6392  125.970   13.855  122.254   13.420  135.296   7.5567  133.320   7.4278 1.975418 10.59599 
1 1 1  -13    4   82 o  140.919   5.1710  136.833   9.8604  127.910   13.896  145.885   13.995  136.220   7.5275  145.617   7.0919 -9.396561 10.34209 
1 1 1  -13    4   83 o  131.170   5.3211  118.582   9.4340  131.022   13.655  107.220   13.049  137.808   7.3119  124.532   7.7326 13.27611 10.64217 
1 1 1  -13    4   84 o  114.888   5.5005   91.520   8.5565   87.076   12.078   95.999   12.124  112.027   7.9558  117.749   7.5979 -5.721779 11.00102 
1 1 1  -13    4   85 o   70.640   8.8127   35.475   7.9070   40.298   13.467   32.938   9.7681   73.143   14.097   68.137   10.579 5.005386 17.62536 
1 1 1  -13    4   86 o   78.295   7.9236   42.065   8.1436   51.848   13.749   36.778   10.107   84.693   11.980   71.896   10.374 12.79739 15.84720 
1 1 1  -13    4   87 o   31.989   9.3004   3.5399   6.5478  -1.5440   10.927   6.3880   8.1787   30.369   13.440   33.608   12.859 -3.239779 18.60085 
1 1 1  -13    4   88 o   50.552   10.868   19.701   8.2626   25.593   12.071   14.506   11.334   56.782   15.329   44.323   15.410 12.45891 21.73648 
1 1 1  -13    4   89 o   31.223   13.595   0.4471   10.773   0.4471   10.773   0.0000   0.0000   31.223   13.595  ?   ?       ?      ? 
1 1 1  -13    4   90 o   34.636   14.345   4.8346   11.007   4.8346   11.007   0.0000   0.0000   34.636   14.345  ?   ?       ?      ? 
1 1 1  -13    4   91 o   44.560   15.582   15.285   11.595   15.285   11.595   0.0000   0.0000   44.560   15.582  ?   ?       ?      ? 
1 1 1  -13    4   92 o   49.928   15.883   20.464   12.092   20.464   12.092   0.0000   0.0000   49.928   15.883  ?   ?       ?      ? 
1 1 1  -13    5    1 o  570.002   6.9967  2196.62   53.959  2075.88   73.874  2334.71   79.004  553.264   9.8532  586.739   9.9363 -33.47443 13.99335 
1 1 1  -13    5    2 o  383.261   5.3269  995.783   27.666  1000.41   39.194  991.190   39.059  384.148   7.5290  382.374   7.5378 1.774017 10.65384 
1 1 1  -13    5    3 o  411.788   7.8673  1149.61   43.902  1149.61   43.902   0.0000   0.0000  411.788   7.8673  ?   ?       ?      ? 
1 1 1  -13    5    4 o  349.496   5.0687  826.697   23.985  784.188   33.208  873.062   34.681  340.117   7.2050  358.875   7.1313 -18.75784 10.13737 
1 1 1  -13    5    5 o  507.528   7.4025  1804.71   45.370  1880.62   53.827  1618.45   84.314  526.694   7.5415  488.363   12.740 38.33096 14.80490 
1 1 1  -13    5    6 o  758.853   10.807  3927.29  105.585  3965.32  130.706  3855.87  179.127  764.428   12.618  753.277   17.548 11.15088 21.61320 
1 1 1  -13    5    7 o  800.917   11.296  4267.77  114.300  4119.14  137.421  4601.43  205.891  779.076   13.016  822.758   18.466 -43.68213 22.59278 
1 1 1  -13    5    8 o  520.223   7.5106  1869.20   46.783  1909.03   54.908  1763.70   89.365  530.653   7.6356  509.793   12.936 20.86017 15.02116 
1 1 1  -13    5    9 o  333.771   5.6446  768.904   22.670  785.634   26.685  725.520   42.972  340.460   5.7839  327.083   9.6950 13.37723 11.28925 
1 1 1  -13    5   10 o  404.838   6.3025  1126.00   30.565  1143.28   35.825  1079.78   58.596  410.691   6.4371  398.984   10.837 11.70734 12.60504 
1 1 1  -13    5   11 f  394.231   6.1829  1058.01   29.102  1062.73   33.950  1044.91   56.510  395.964   6.3271  392.498   10.624 3.465668 12.36576 
1 1 1  -13    5   12 o  565.782   8.5983  2177.12   62.007  2187.43   75.861  2156.38  107.628  567.934   9.8569  563.629   14.091 4.305237 17.19657 
1 1 1  -13    5   13 o  716.113   10.357  3471.57   94.360  3453.00  114.952  3509.93  165.217  713.421   11.890  718.805   16.961 -5.384033 20.71385 
1 1 1  -13    5   14 o  814.431   9.4063  4501.30  103.813  4483.39  146.472  4519.38  147.158  812.803   13.298  816.058   13.307 -3.255310 18.81256 
1 1 1  -13    5   15 o  989.171   15.840  6644.38  212.326  6644.38  212.326   0.0000   0.0000  989.171   15.840  ?   ?       ?      ? 
1 1 1  -13    5   16 o  521.860   6.5646  1846.05   46.416  1881.73   66.376  1811.91   64.932  526.792   9.2981  516.927   9.2694 9.865234 13.12916 
1 1 1  -13    5   17 o  548.846   6.8129  2042.55   50.670  2059.83   72.010  2025.60   71.311  551.144   9.6415  546.547   9.6283 4.597717 13.62577 
1 1 1  -13    5   18 o  351.257   5.1138  836.330   24.341  842.732   34.555  830.023   34.294  352.591   7.2319  349.923   7.2320 2.668701 10.22750 
1 1 1  -13    5   19 o  303.618   4.7826  624.851   19.677  624.442   27.861  625.258   27.795  303.518   6.7738  303.717   6.7533 -0.1987915 9.565116 
1 1 1  -13    5   20 o  438.085   5.8372  1300.37   34.643  1264.86   48.332  1337.90   49.682  431.936   8.2572  444.233   8.2528 -12.29626 11.67433 
1 1 1  -13    5   21 o  380.159   6.5067  981.741   31.791  974.160   54.293  985.697   39.218  378.997   10.571  381.321   7.5894 -2.324158 13.01344 
1 1 1  -13    5   22 o  711.042   10.249  3398.27   92.625  3527.51  163.518  3337.21  112.396  720.691   16.743  701.392   11.825 19.29865 20.49788 
1 1 1  -13    5   23 o  953.194   13.270  6090.33  159.923  6407.08  286.053  5946.32  192.882  970.494   21.751  935.894   15.208 34.60052 26.54017 
1 1 1  -13    5   24 o  620.810   15.166  2616.46  127.590  2616.46  127.590   0.0000   0.0000  620.810   15.166  ?   ?       ?      ? 
1 1 1  -13    5   25 o  294.845   4.7953  588.840   19.152  611.603   27.481  567.342   26.706  300.382   6.7510  289.308   6.8119 11.07425 9.590521 
1 1 1  -13    5   26 o  492.270   6.3488  1642.06   42.339  1689.28   60.782  1597.55   59.009  499.140   8.9860  485.400   8.9710 13.73990 12.69750 
1 1 1  -13    5   27 o  677.701   8.0942  3114.78   74.326  3167.12  106.132  3064.41  104.122  683.286   11.462  672.117   11.432 11.16876 16.18840 
1 1 1  -13    5   28 o  922.138   12.961  5794.96  152.826  5731.75  263.453  5827.02  187.619  917.865   21.181  926.412   14.945 -8.547119 25.92243 
1 1 1  -13    5   29 o  668.321   11.408  3033.79  103.317  3046.70  146.404  3020.99  145.823  669.738   16.131  666.905   16.135 2.832825 22.81587 
1 1 1  -13    5   30 o  350.086   6.4613  823.542   28.641  810.237   34.646  852.263   50.903  345.710   7.3954  354.462   10.597 -8.751984 12.92252 
1 1 1  -13    5   31 o  302.962   4.9212  621.563   20.191  653.356   29.049  591.849   28.084  310.450   6.9050  295.474   7.0138 14.97641 9.842342 
1 1 1  -13    5   32 o  573.608   7.1128  2231.20   55.281  2271.74   78.963  2192.24   77.419  578.716   10.069  568.500   10.049 10.21600 14.22559 
1 1 1  -13    5   33 o  393.377   5.5612  1049.24   29.646  1050.70   41.934  1047.79   41.916  393.650   7.8610  393.105   7.8684 0.5455627 11.12237 
1 1 1  -13    5   34 o  641.680   7.7647  2793.76   67.517  2816.88   95.939  2771.07   95.035  644.310   10.988  639.051   10.974 5.259094 15.52944 
1 1 1  -13    5   35 o  402.136   5.6422  1096.58   30.747  1091.24   43.373  1101.96   43.593  401.153   7.9787  403.119   7.9799 -1.966187 11.28440 
1 1 1  -13    5   36 o  704.779   8.3921  3370.55   80.133  3305.44  111.927  3439.02  114.779  697.802   11.836  711.756   11.900 -13.95367 16.78422 
1 1 1  -13    5   37 o  493.020   6.4139  1645.29   42.806  1736.10   62.245  1563.81   58.962  505.899   9.0795  480.141   9.0619 25.75833 12.82788 
1 1 1  -13    5   38 o  295.816   5.8608  582.191   22.269  559.468   27.183  628.565   38.833  287.249   6.9832  304.384   9.4144 -17.13480 11.72163 
1 1 1  -13    5   39 o  346.994   6.3602  823.893   28.513  840.940   35.536  793.083   47.774  352.145   7.4468  341.844   10.313 10.30060 12.72045 
1 1 1  -13    5   40 o  380.856   5.5515  983.607   28.648  963.472   40.204  1004.38   40.833  376.896   7.8716  384.816   7.8303 -7.919647 11.10295 
1 1 1  -13    5   41 o  738.089   10.723  3668.39  100.286  3812.87  178.111  3601.32  121.351  748.109   17.569  728.070   12.299 20.03839 21.44623 
1 1 1  -13    5   42 o  840.850   9.7687  4807.57  111.305  4757.54  156.361  4858.96  158.478  836.420   13.795  845.279   13.835 -8.859253 19.53748 
1 1 1  -13    5   43 o  404.434   5.7100  1109.77   31.294  1111.77   44.345  1107.78   44.169  404.797   8.0840  404.071   8.0664 0.7256775 11.42009 
1 1 1  -13    5   44 o  440.656   5.9924  1317.81   35.784  1317.75   50.634  1317.88   50.578  440.645   8.4795  440.667   8.4697 -0.2178955E-01 11.98487 
1 1 1  -13    5   45 o  575.199   7.1908  2246.51   56.039  2294.27   80.242  2201.04   78.295  581.161   10.189  569.237   10.150 11.92389 14.38165 
1 1 1  -13    5   46 f  369.771   7.7923  929.627   39.038  946.678   55.005  912.321   55.412  373.203   10.876  366.338   11.162 6.865112 15.58463 
1 1 1  -13    5   47 o  228.256   6.7420  354.593   20.815  371.812   29.080  336.500   29.808  233.971   9.1717  222.541   9.8842 11.43066 13.48400 
1 1 1  -13    5   48 o  201.936   4.6336  276.655   12.678  271.242   17.868  282.143   17.993  199.945   6.5946  203.927   6.5109 -3.981659 9.267125 
1 1 1  -13    5   49 o  410.710   5.7691  1145.16   32.105  1166.99   45.839  1124.14   44.980  414.552   8.1596  406.869   8.1579 7.682953 11.53825 
1 1 1  -13    5   50 o  398.722   5.6898  1079.64   30.743  1073.10   43.317  1086.27   43.639  397.507   8.0413  399.938   8.0519 -2.431000 11.37966 
1 1 1  -13    5   51 o  364.058   5.4403  899.811   26.836  880.091   37.621  920.240   38.291  359.996   7.7116  368.120   7.6757 -8.123627 10.88053 
1 1 1  -13    5   52 o  274.728   4.9074  512.389   18.270  513.545   25.848  511.235   25.827  275.038   6.9351  274.418   6.9450 0.6199036 9.814709 
1 1 1  -13    5   53 o  407.460   5.7844  1127.50   31.930  1160.07   45.788  1096.67   44.550  413.185   8.1776  401.735   8.1833 11.44949 11.56886 
1 1 1  -13    5   54 o  455.382   6.1787  1409.68   38.125  1387.80   53.474  1432.30   54.372  451.790   8.7342  458.974   8.7418 -7.184296 12.35740 
1 1 1  -13    5   55 o  443.685   6.0924  1337.76   36.619  1376.72   52.555  1301.00   51.053  449.959   8.6190  437.411   8.6129 12.54803 12.18481 
1 1 1  -13    5   56 o  222.811   5.8758  339.936   16.707  330.400   28.782  344.782   20.518  220.303   9.6407  225.319   6.7197 -5.015854 11.75154 
1 1 1  -13    5   57 o  347.347   6.5852  815.515   29.127  838.143   51.098  804.624   35.450  350.622   10.754  344.071   7.6031 6.551514 13.17043 
1 1 1  -13    5   58 o  233.748   5.7207  366.282   17.280  354.583   21.269  388.997   29.637  228.456   6.8700  239.040   9.1492 -10.58348 11.44131 
1 1 1  -13    5   59 o  285.458   5.9829  542.180   21.958  517.329   26.797  592.965   38.307  275.895   7.1674  295.021   9.5818 -19.12650 11.96588 
1 1 1  -13    5   60 o  269.292   4.9740  492.881   18.151  488.589   25.634  497.197   25.705  268.114   7.0553  270.470   7.0133 -2.356445 9.948027 
1 1 1  -13    5   61 o  231.385   4.8495  363.886   15.206  363.047   21.512  364.723   21.496  231.117   6.8686  231.652   6.8477 -0.5349426 9.698907 
1 1 1  -13    5   62 f  170.131   6.5177  210.421   13.642  234.645   16.770  163.040   23.454  185.809   6.6602  154.454   11.205 31.35529 13.03536 
1 1 1  -13    5   63 o  154.514   6.9274  163.473   14.451  150.581   20.726  175.671   20.160  148.508   10.299  160.520   9.2679 -12.01210 13.85481 
1 1 1  -13    5   64 f  286.517   6.2885  562.793   23.053  549.577   39.545  569.597   28.373  283.667   10.287  289.368   7.2356 -5.700867 12.57706 
1 1 1  -13    5   65 o  402.144   7.1998  1115.04   37.103  1072.23   63.168  1137.58   45.845  395.644   11.782  408.644   8.2787 -12.99951 14.39955 
1 1 1  -13    5   66 o  350.016   5.5036  833.964   26.100  815.773   36.549  852.896   37.286  346.120   7.7922  353.912   7.7743 -7.791931 11.00724 
1 1 1  -13    5   67 o  235.570   4.9397  377.575   15.769  376.891   22.260  378.264   22.341  235.357   6.9795  235.783   6.9919 -0.4265594 9.879303 
1 1 1  -13    5   68 o  178.795   4.9272  217.508   11.936  223.672   16.997  211.509   16.765  181.300   6.9180  176.291   7.0178 5.009293 9.854313 
1 1 1  -13    5   69 o  166.396   4.9984  188.475   11.270  189.750   16.077  187.244   15.802  166.945   7.1064  165.848   7.0309 1.097824 9.996713 
1 1 1  -13    5   70 o  129.063   5.3095  113.505   9.2853  111.293   13.083  115.749   13.181  127.792   7.5547  130.335   7.4627 -2.542427 10.61906 
1 1 1  -13    5   71 o  142.737   6.1341  133.475   11.325  158.199   19.776  121.410   13.815  152.038   9.5987  133.436   7.6402 18.60196 12.26812 
1 1 1  -13    5   72 o  166.092   7.3186  188.103   16.472  188.103   16.472   0.0000   0.0000  166.092   7.3186  ?   ?       ?      ? 
1 1 1  -13    5   73 o   92.405   6.2995   58.522   7.8768   55.206   11.182   61.789   11.098   89.773   9.1915   95.037   8.6169 -5.264374 12.59896 
1 1 1  -13    5   74 o  107.482   6.8933   79.081   9.6319   78.416   12.012   80.278   16.119  107.053   8.2802  107.910   11.023 -0.8579102 13.78651 
1 1 1  -13    5   75 o  171.077   6.1025  204.856   13.503  216.265   17.035  185.572   22.147  177.951   7.0641  164.204   9.9530 13.74641 12.20507 
1 1 1  -13    5   76 o  151.671   6.4087  149.919   12.332  136.323   14.740  181.638   22.513  141.105   7.7086  162.236   10.240 -21.13083 12.81736 
1 1 1  -13    5   77 f  128.882   5.5075  113.887   9.6186  113.943   13.541  113.829   13.665  128.921   7.7507  128.842   7.8268 0.7919312E-01 11.01506 
1 1 1  -13    5   78 o  174.292   5.0500  208.128   11.917  196.870   16.747  219.677   16.962  169.477   7.2920  179.108   6.9883 -9.631638 10.10002 
1 1 1  -13    5   79 o  181.852   5.0063  226.307   12.324  240.371   17.897  213.626   16.994  187.222   7.0540  176.483   7.1059 10.73833 10.01264 
1 1 1  -13    5   80 o   74.577   9.8161   47.155   8.6027   24.955   15.215   57.587   10.430   57.838   17.731   91.317   8.4285 -33.47856 19.63227 
1 1 1  -13    5   81 f  140.800   5.2331  136.658   9.9742  129.932   14.141  143.318   14.070  137.287   7.6011  144.314   7.1946 -7.027374 10.46613 
1 1 1  -13    5   82 o   86.950   6.2925   52.370   7.3762   60.268   10.781   45.418   10.114   93.178   8.5377   80.722   9.2462 12.45665 12.58509 
1 1 1  -13    5   83 o   33.836   9.1096   6.1365   5.8394   4.1580   8.4379   7.9550   8.0895   31.948   12.808   35.724   12.958 -3.775843 18.21921 
1 1 1  -13    5   84 o   81.035   7.7548   42.612   8.1219   62.723   14.322   33.078   9.8609   93.783   11.269   68.286   10.656 25.49697 15.50960 
1 1 1  -13    5   85 o   78.703   7.9604   42.376   8.0868   51.231   14.204   38.128   9.8368   84.015   12.476   73.391   9.8907 10.62399 15.92070 
1 1 1  -13    5   86 o   69.240   9.0987   36.138   7.9067   34.214   13.337   37.180   9.8182   66.214   15.186   72.267   10.026 -6.052559 18.19730 
1 1 1  -13    5   87 o   72.839   9.1267   43.536   8.0238   28.681   13.313   52.010   10.055   59.819   16.078   85.859   8.6422 -26.04004 18.25346 
1 1 1  -13    5   88 f   75.506   13.750   43.895   13.551   43.895   13.551   0.0000   0.0000   75.506   13.750  ?   ?       ?      ? 
1 1 1  -13    5   89 o   90.286   11.670   60.055   14.278   60.055   14.278   0.0000   0.0000   90.286   11.670  ?   ?       ?      ? 
1 1 1  -13    5   90 o   34.685   14.282   5.2583   10.825   5.2583   10.825   0.0000   0.0000   34.685   14.282  ?   ?       ?      ? 
1 1 1  -13    5   91 o   52.627   15.979   22.915   12.396   22.915   12.396   0.0000   0.0000   52.627   15.979  ?   ?       ?      ? 
1 1 1  -13    6    1 o  945.950   10.752  6072.19  137.794  6200.58  197.461  5950.33  192.378  955.687   15.247  936.212   15.163 19.47418 21.50351 
1 1 1  -13    6    2 o  947.664   10.770  6092.17  138.253  6264.10  199.080  5932.01  192.145  960.561   15.294  934.767   15.168 25.79364 21.54036 
1 1 1  -13    6    3 o  792.039   9.2021  4252.17   98.711  4124.29  136.803  4391.07  142.573  779.634   12.949  804.443   13.079 -24.80878 18.40419 
1 1 1  -13    6    4 o  633.343   7.6161  2716.66   65.318  2827.85   94.590  2615.31   90.306  645.710   10.810  620.976   10.731 24.73456 15.23216 
1 1 1  -13    6    5 o  990.752   22.571  6679.59  303.036  6679.59  303.036   0.0000   0.0000  990.752   22.571  ?   ?       ?      ? 
1 1 1  -13    6    6 o  805.077   10.664  4175.41   97.357  4003.34  109.656  4816.01  211.581  768.300   10.532  841.853   18.546 -73.55280 21.32821 
1 1 1  -13    6    7 o  723.966   9.8511  3675.78   86.185  3833.33  102.323  3291.07  159.892  751.842   10.043  696.090   16.950 55.75214 19.70218 
1 1 1  -13    6    8 o  904.373   12.052  5806.00  132.922  6180.94  159.756  4962.50  239.618  954.489   12.351  854.257   20.699 100.2326 24.10381 
1 1 1  -13    6    9 o  664.321   9.0313  2895.28   69.234  2810.12   78.766  3184.62  145.191  643.779   9.0286  684.864   15.644 -41.08496 18.06252 
1 1 1  -13    6   10 o  752.543   10.132  3901.18   90.928  3966.90  106.356  3722.65  175.289  764.815   10.262  740.270   17.474 24.54456 20.26398 
1 1 1  -13    6   11 o  948.680   12.476  6106.08  160.386  6106.08  160.386   0.0000   0.0000  948.680   12.476  ?   ?       ?      ? 
1 1 1  -13    6   12 o  933.520   12.301  5912.25  155.612  5912.25  155.612   0.0000   0.0000  933.520   12.301  ?   ?       ?      ? 
1 1 1  -13    6   13 o  785.967   11.114  4132.83  110.699  4025.42  133.714  4366.80  197.354  770.248   12.810  801.687   18.166 -31.43927 22.22862 
1 1 1  -13    6   14 o  643.319   9.3828  2774.18   76.834  2711.23   93.263  2907.16  135.553  632.254   10.885  654.385   15.286 -22.13104 18.76562 
1 1 1  -13    6   15 o  552.127   8.3949  2107.93   60.103  1923.04   98.363  2218.09   75.926  532.329   13.635  571.924   9.7964 -39.59534 16.78976 
1 1 1  -13    6   16 o  323.157   5.9254  709.545   24.650  703.043   41.939  712.977   30.469  321.993   9.6114  324.320   6.9326 -2.327118 11.85076 
1 1 1  -13    6   17 o  313.840   5.8735  673.004   23.762  650.544   40.054  685.201   29.517  309.739   9.5425  317.941   6.8508 -8.202148 11.74703 
1 1 1  -13    6   18 o  562.656   9.8461  2146.81   75.074  2146.81   75.074   0.0000   0.0000  562.656   9.8461  ?   ?       ?      ? 
1 1 1  -13    6   19 o  735.887   8.6331  3673.78   86.091  3653.67  121.396  3694.13  122.108  733.861   12.207  737.913   12.211 -4.051758 17.26626 
1 1 1  -13    6   20 o  421.761   5.7088  1203.06   32.589  1135.86   44.863  1278.12   47.419  409.322   8.0879  434.199   8.0590 -24.87714 11.41758 
1 1 1  -13    6   21 o  244.376   4.4742  404.736   14.814  392.701   20.833  417.046   21.069  240.701   6.3868  248.051   6.2677 -7.350357 8.948482 
1 1 1  -13    6   22 o  323.145   6.1959  711.851   25.341  697.207   44.464  718.896   30.840  320.630   10.233  325.659   6.9882 -5.028839 12.39177 
1 1 1  -13    6   23 o  577.161   8.7855  2269.95   64.692  2231.10  111.858  2289.47   79.300  573.298   14.398  581.024   10.071 -7.725891 17.57100 
1 1 1  -13    6   24 o  610.518   7.4450  2524.24   61.547  2424.26   85.067  2634.07   89.159  597.852   10.500  623.184   10.558 -25.33154 14.88996 
1 1 1  -13    6   25 o  671.069   8.0274  3052.36   72.967  3146.84  105.136  2964.57  101.350  681.076   11.391  661.063   11.314 20.01306 16.05486 
1 1 1  -13    6   26 o  709.851   8.4009  3417.14   80.791  3338.32  112.721  3500.42  115.855  701.439   11.859  718.263   11.903 -16.82458 16.80184 
1 1 1  -13    6   27 o  727.259   8.5830  3587.90   84.575  3522.73  118.331  3655.96  120.925  720.511   12.119  734.006   12.157 -13.49493 17.16607 
1 1 1  -13    6   28 o  517.757   8.1530  1824.54   53.797  1835.60   65.832  1802.29   93.339  520.252   9.3377  515.263   13.368 4.989563 16.30597 
1 1 1  -13    6   29 o  600.412   9.0860  2454.16   69.598  2468.41   85.251  2425.69  120.516  603.217   10.429  597.606   14.881 5.610718 18.17203 
1 1 1  -13    6   30 o  723.553   8.5574  3552.18   83.893  3615.60  119.918  3491.37  117.408  729.876   12.124  717.231   12.080 12.64453 17.11475 
1 1 1  -13    6   31 o  754.136   8.8611  3860.51   90.554  3832.00  127.465  3889.56  128.669  751.327   12.519  756.946   12.544 -5.618958 17.72227 
1 1 1  -13    6   32 o  505.598   6.5066  1733.82   44.579  1720.86   62.780  1747.01   63.312  503.692   9.1975  507.505   9.2058 -3.812347 13.01312 
1 1 1  -13    6   33 o  750.039   8.8597  3810.57   89.936  4007.86  131.254  3635.96  123.480  768.286   12.607  731.792   12.452 36.49414 17.71938 
1 1 1  -13    6   34 o  394.534   8.0355  1056.39   42.958  1043.70   60.288  1069.47   61.227  392.129   11.345  396.938   11.383 -4.808685 16.07109 
1 1 1  -13    6   35 o  324.349   6.3675  716.054   26.261  720.693   32.068  706.609   45.757  326.014   7.2587  322.683   10.464 3.331055 12.73508 
1 1 1  -13    6   36 o  208.788   5.5793  304.081   15.043  327.407   19.054  265.491   24.508  219.753   6.3984  197.823   9.1420 21.92996 11.15869 
1 1 1  -13    6   37 o  363.105   6.4662  891.128   30.217  883.769   37.218  905.360   51.758  360.988   7.6082  365.222   10.458 -4.233673 12.93250 
1 1 1  -13    6   38 o  405.846   5.7011  1116.57   31.345  1151.01   44.961  1084.01   43.721  411.931   8.0544  399.760   8.0707 12.17090 11.40214 
1 1 1  -13    6   39 o  146.457   6.1454  152.133   11.119  128.804   19.554  163.279   13.516  137.738   10.476  155.176   6.4276 -17.43851 12.29075 
1 1 1  -13    6   40 o  233.847   5.8666  374.125   17.315  362.440   30.453  379.707   21.048  231.068   9.7254  236.627   6.5639 -5.559418 11.73325 
1 1 1  -13    6   41 o  466.603   6.2154  1476.99   39.293  1509.20   56.269  1446.35   54.892  471.563   8.8054  461.643   8.7745 9.919952 12.43088 
1 1 1  -13    6   42 f  507.627   6.5778  1748.85   45.241  1712.58   63.311  1786.70   64.672  502.250   9.3020  513.004   9.3028 -10.75333 13.15560 
1 1 1  -13    6   43 o  331.208   5.1976  744.268   23.328  739.907   32.945  748.654   33.038  330.234   7.3617  332.182   7.3393 -1.947693 10.39521 
1 1 1  -13    6   44 o  419.232   7.1526  1205.16   38.555  1158.48   65.226  1230.23   47.799  412.747   11.661  425.716   8.2854 -12.96985 14.30512 
1 1 1  -13    6   45 o  370.207   7.8009  932.192   39.120  946.170   54.812  917.679   55.850  373.059   10.842  367.356   11.219 5.703308 15.60183 
1 1 1  -13    6   46 f  205.766   5.8355  286.689   15.114  285.349   18.238  289.625   27.001  205.080   6.5626  206.452   9.6512 -1.371887 11.67105 
1 1 1  -13    6   47 o  222.636   4.6691  336.299   14.085  328.743   19.819  344.009   20.020  220.108   6.6445  225.165   6.5613 -5.056717 9.338123 
1 1 1  -13    6   48 o  265.641   4.8137  478.897   17.328  480.712   24.599  477.108   24.413  266.140   6.8206  265.142   6.7945 0.9977417 9.627331 
1 1 1  -13    6   49 o  182.578   4.6470  226.283   11.488  214.536   16.176  238.236   16.318  177.790   6.7140  187.366   6.4266 -9.576096 9.294067 
1 1 1  -13    6   50 o  460.784   6.2160  1442.31   38.804  1404.09   54.183  1482.56   55.600  454.520   8.7968  467.049   8.7848 -12.52972 12.43206 
1 1 1  -13    6   51 o  483.306   6.4153  1586.86   41.999  1638.60   60.452  1538.58   58.393  490.913   9.0870  475.700   9.0582 15.21341 12.83066 
1 1 1  -13    6   52 o  418.334   8.3334  1189.44   47.242  1189.44   47.242   0.0000   0.0000  418.334   8.3334  ?   ?       ?      ? 
1 1 1  -13    6   53 o  267.620   4.8972  486.382   17.760  485.587   25.210  487.166   25.023  267.400   6.9571  267.840   6.8942 -0.4400330 9.794422 
1 1 1  -13    6   54 o  447.596   6.1338  1362.53   37.204  1365.37   52.783  1359.72   52.449  448.056   8.6932  447.136   8.6559 0.9200134 12.26768 
1 1 1  -13    6   55 o  430.019   7.3653  1259.41   40.345  1262.04   70.284  1258.11   49.271  429.938   12.063  430.100   8.4536 -0.1619568 14.73055 
1 1 1  -13    6   56 o  157.417   5.8802  164.871   11.800  179.291   20.923  158.143   14.290  162.262   9.5151  152.572   6.9117 9.690170 11.76046 
1 1 1  -13    6   57 o  217.113   5.6312  315.302   15.872  302.962   19.616  338.699   27.011  211.166   6.8548  223.061   8.9359 -11.89464 11.26233 
1 1 1  -13    6   58 o  166.691   5.8025  192.433   12.605  202.652   16.033  175.892   20.397  172.694   6.8509  160.688   9.3669 12.00552 11.60496 
1 1 1  -13    6   59 o  250.502   6.8049  427.815   23.073  425.496   33.405  429.930   31.906  249.815   9.8677  251.189   9.3731 -1.374542 13.60978 
1 1 1  -13    6   60 o  182.814   4.8888  227.498   12.053  199.607   16.878  256.522   17.217  171.333   7.2693  194.295   6.5391 -22.96242 9.777626 
1 1 1  -13    6   61 o  118.283   7.0743   99.364   10.304  105.680   12.466   85.740   18.308  124.649   7.3801  111.918   12.071 12.73177 14.14860 
1 1 1  -13    6   62 o  194.581   4.8749  257.070   12.836  277.039   18.506  238.554   17.820  201.866   6.7650  187.297   7.0210 14.56926 9.749849 
1 1 1  -13    6   63 o  168.222   6.0987  194.621   13.042  187.598   22.582  198.136   15.976  165.752   10.054  170.691   6.9066 -4.939606 12.19747 
1 1 1  -13    6   64 o  198.895   6.0688  270.510   15.312  267.064   26.789  272.183   18.661  197.743   9.9970  200.047   6.8837 -2.304169 12.13770 
1 1 1  -13    6   65 o  165.499   5.0632  186.508   11.297  162.507   15.760  211.874   16.202  154.503   7.5271  176.495   6.7741 -21.99220 10.12650 
1 1 1  -13    6   66 o   98.130   6.0279   65.895   7.9748   58.391   11.298   73.347   11.259   92.505   9.0123  103.754   8.0076 -11.24872 12.05581 
1 1 1  -13    6   67 o  229.762   4.9235  359.172   15.327  365.548   21.911  353.062   21.449  231.757   6.9765  227.768   6.9491 3.988373 9.846940 
1 1 1  -13    6   68 o  174.058   4.9508  206.324   11.671  198.036   16.495  214.632   16.515  170.541   7.1373  177.575   6.8629 -7.034561 9.901521 
1 1 1  -13    6   69 o  150.316   5.1123  153.843   10.410  159.558   14.899  148.391   14.552  153.048   7.1836  147.585   7.2759 5.463348 10.22463 
1 1 1  -13    6   70 o  167.092   6.1958  195.254   13.135  177.536   22.448  204.479   16.197  160.924   10.294  173.261   6.8986 -12.33716 12.39167 
1 1 1  -13    6   71 o  170.583   5.0324  198.504   11.624  190.726   16.503  206.163   16.376  167.240   7.2819  173.926   6.9478 -6.686203 10.06474 
1 1 1  -13    6   72 o  230.658   4.9910  362.888   15.600  359.932   22.111  365.817   22.012  229.713   7.1029  231.603   7.0135 -1.889404 9.982002 
1 1 1  -13    6   73 o  287.598   5.2086  564.054   20.280  531.457   28.132  599.325   29.263  278.936   7.4424  296.260   7.2889 -17.32407 10.41710 
1 1 1  -13    6   74 o   43.376   10.353   10.182   7.3781   4.2823   9.3186   20.093   12.079   33.813   13.493   52.939   15.705 -19.12570 20.70558 
1 1 1  -13    6   75 o  108.838   7.5603   82.574   10.165   83.583   12.156   80.228   18.537  110.415   8.1241  107.262   12.753 3.152748 15.12057 
1 1 1  -13    6   76 f  112.922   5.7452   87.529   8.7666   79.037   12.246   96.456   12.556  107.249   8.4256  118.595   7.8127 -11.34640 11.49042 
1 1 1  -13    6   77 o   39.792   13.717   10.331   8.9708   10.331   8.9708   0.0000   0.0000   39.792   13.717  ?   ?       ?      ? 
1 1 1  -13    6   78 o  114.143   5.6543   89.269   8.6718  106.504   12.707   74.248   11.864  124.509   7.5314  103.777   8.4359 20.73183 11.30867 
1 1 1  -13    6   79 o  136.857   6.6099  130.997   11.305  127.077   20.188  132.789   13.645  134.716   11.058  138.999   7.2441 -4.283493 13.21981 
1 1 1  -13    6   80 o   60.149   9.7932   28.593   7.6388   19.512   13.593   32.784   9.2350   51.762   16.875   68.536   9.9434 -16.77386 19.58643 
1 1 1  -13    6   81 o   67.216   7.9311   32.615   6.9119   41.193   9.9292   24.550   9.6276   76.798   9.5407   57.633   12.672 19.16478 15.86213 
1 1 1  -13    6   82 o   76.035   6.9673   40.481   7.1611   44.678   10.409   36.708   9.8675   79.829   9.6218   72.241   10.080 7.587280 13.93468 
1 1 1  -13    6   83 o   94.032   7.2904   60.731   8.7663   68.160   15.502   57.238   10.629   97.553   11.726   90.511   8.6659 7.041245 14.58072 
1 1 1  -13    6   84 o   70.105   8.9274   34.233   7.7785   44.626   13.803   29.397   9.4160   77.014   13.729   63.195   11.415 13.81916 17.85486 
1 1 1  -13    6   85 o   44.244   10.033   15.014   6.9266   9.5799   11.880   17.813   8.5256   40.061   15.455   48.428   12.798 -8.367172 20.06633 
1 1 1  -13    6   86 o  101.077   7.3674   74.395   9.3213   70.366   16.395   76.320   11.331   97.859   12.363  104.296   8.0171 -6.436401 14.73480 
1 1 1  -13    6   87 o   42.795   11.131   12.134   8.6595   7.0828   11.783   18.065   12.769   37.407   15.086   48.183   16.371 -10.77599 22.26238 
1 1 1  -13    6   88 f   34.011   14.188   4.1704   10.881   4.1704   10.881   0.0000   0.0000   34.011   14.188  ?   ?       ?      ? 
1 1 1  -13    6   89 o   79.827   12.683   47.903   13.720   47.903   13.720   0.0000   0.0000   79.827   12.683  ?   ?       ?      ? 
1 1 1  -13    6   90 o   34.204   14.379   4.2138   11.306   4.2138   11.306   0.0000   0.0000   34.204   14.379  ?   ?       ?      ? 
1 1 1  -13    6   91 o   28.637   12.880  -2.2810   10.467  -2.2810   10.467   0.0000   0.0000   28.637   12.880  ?   ?       ?      ? 
1 1 1  -13    7    1 o  599.932   7.3088  2437.07   59.370  2342.97   81.963  2540.94   86.113  587.770   10.290  612.094   10.382 -24.32361 14.61751 
1 1 1  -13    7    2 o  779.479   11.143  4065.87  109.528  4288.16  197.004  3966.42  131.770  794.385   18.300  764.574   12.718 29.81116 22.28569 
1 1 1  -13    7    3 o  900.295   20.732  5512.24  252.941  5512.24  252.941   0.0000   0.0000  900.295   20.732  ?   ?       ?      ? 
1 1 1  -13    7    4 o  500.656   6.3849  1699.41   43.317  1719.68   61.579  1679.56   60.945  503.611   9.0231  497.701   9.0362 5.909851 12.76989 
1 1 1  -13    7    5 o  384.434   5.4008  1001.88   28.136  1002.72   39.715  1001.03   39.866  384.596   7.6202  384.272   7.6556 0.3241272 10.80165 
1 1 1  -13    7    6 o  495.589   6.3448  1663.94   42.593  1721.53   61.258  1610.03   59.264  503.885   8.9712  487.293   8.9746 16.59131 12.68959 
1 1 1  -13    7    7 o  529.418   7.5454  1860.83   46.811  1822.53   53.751  1981.09   95.249  518.503   7.6498  540.333   13.008 -21.82916 15.09075 
1 1 1  -13    7    8 o  394.413   6.1703  1040.64   28.936  1025.77   33.525  1084.09   57.299  389.021   6.3594  399.805   10.576 -10.78381 12.34066 
1 1 1  -13    7    9 o  519.851   7.6262  1832.01   53.724  1832.01   53.724   0.0000   0.0000  519.851   7.6262  ?   ?       ?      ? 
1 1 1  -13    7   10 o  897.575   11.904  5465.42  144.790  5465.42  144.790   0.0000   0.0000  897.575   11.904  ?   ?       ?      ? 
1 1 1  -13    7   11 o  793.150   10.586  4269.85   99.061  4268.92  114.702  4272.58  196.506  793.358   10.669  792.943   18.287 0.4151001 21.17202 
1 1 1  -13    7   12 o  549.731   7.9545  2140.06   53.150  2270.19   63.663  1840.71   96.557  578.669   8.1184  520.791   13.682 57.87811 15.90895 
1 1 1  -13    7   13 o  650.918   8.9197  2826.36   67.849  2780.51   77.882  2970.75  138.198  640.373   8.9747  661.463   15.417 -21.09039 17.83937 
1 1 1  -13    7   14 o  449.754   6.7536  1366.56   36.108  1361.05   41.934  1382.35   71.011  448.094   6.9058  451.415   11.608 -3.320374 13.50715 
1 1 1  -13    7   15 o  397.755   6.3669  1112.29   30.695  1166.59   36.569  982.803   56.469  414.860   6.5047  380.650   10.947 34.21030 12.73388 
1 1 1  -13    7   16 o  601.421   8.3575  2392.55   58.529  2336.44   66.956  2574.30  120.512  587.033   8.4168  615.809   14.441 -28.77570 16.71494 
1 1 1  -13    7   17 o  295.007   4.7525  589.661   18.994  601.660   27.238  578.302   26.502  297.927   6.7465  292.087   6.6955 5.839691 9.504999 
1 1 1  -13    7   18 f  431.168   5.8092  1260.20   33.939  1237.68   47.655  1283.37   48.347  427.260   8.2307  435.076   8.2001 -7.815643 11.61833 
1 1 1  -13    7   19 o  913.254   14.781  5662.80  182.923  5662.80  182.923   0.0000   0.0000  913.254   14.781  ?   ?       ?      ? 
1 1 1  -13    7   20 o  682.153   8.1453  3154.06   75.260  3055.58  104.527  3260.05  108.448  671.110   11.494  693.197   11.545 -22.08643 16.29050 
1 1 1  -13    7   21 o  268.020   5.9101  498.235   19.956  455.985   34.673  519.164   24.404  259.292   9.8678  276.748   6.5072 -17.45605 11.82014 
1 1 1  -13    7   22 o  256.163   4.5862  444.770   15.915  428.859   22.381  461.045   22.635  251.527   6.5661  260.798   6.4046 -9.270615 9.172367 
1 1 1  -13    7   23 o  559.917   6.9875  2124.50   52.994  2195.13   76.330  2058.77   73.633  568.893   9.9011  550.942   9.8625 17.95093 13.97494 
1 1 1  -13    7   24 o  537.339   6.7732  1957.70   49.313  1994.39   70.502  1922.56   69.000  542.265   9.5941  532.412   9.5635 9.852966 13.54649 
1 1 1  -13    7   25 f  378.027   5.4268  968.003   27.787  1002.14   40.027  936.247   38.606  384.453   7.6828  371.600   7.6666 12.85336 10.85368 
1 1 1  -13    7   26 o  585.044   7.2155  2321.24   57.196  2278.70   80.042  2365.63   81.760  579.568   10.191  590.518   10.217 -10.95007 14.43094 
1 1 1  -13    7   27 o  407.536   7.0423  1127.21   36.416  1128.17   44.317  1125.21   63.897  407.890   8.0176  407.183   11.580 0.7064514 14.08469 
1 1 1  -13    7   28 o  638.244   7.7284  2763.99   66.840  2793.03   95.096  2735.63   93.967  641.557   10.938  634.931   10.921 6.625793 15.45682 
1 1 1  -13    7   29 o  860.305   9.9552  5015.95  115.914  5276.93  169.163  4784.95  159.148  881.336   14.164  839.273   13.993 42.06299 19.91037 
1 1 1  -13    7   30 f  574.757   7.1428  2238.93   55.602  2162.71   77.099  2321.53   80.263  564.577   10.077  584.936   10.126 -20.35858 14.28568 
1 1 1  -13    7   31 o  551.071   6.9229  2059.34   51.685  2109.89   74.113  2011.48   72.115  557.651   9.8073  544.492   9.7735 13.15833 13.84573 
1 1 1  -13    7   32 o  520.000   6.6461  1832.22   46.804  1905.90   67.618  1764.44   64.851  530.023   9.4142  509.977   9.3839 20.04630 13.29226 
1 1 1  -13    7   33 o  304.642   5.9133  620.770   23.240  601.954   28.557  657.670   39.991  297.947   7.0728  311.336   9.4786 -13.38895 11.82658 
1 1 1  -13    7   34 o  301.361   6.0265  630.050   23.621  672.155   30.089  562.427   38.132  314.836   7.0526  287.887   9.7744 26.94901 12.05308 
1 1 1  -13    7   35 o  276.981   4.8164  520.227   18.076  509.901   25.494  530.667   25.634  274.215   6.8605  279.746   6.7620 -5.531281 9.632830 
1 1 1  -13    7   36 o  263.331   4.7729  470.231   17.031  470.913   24.252  469.568   23.922  263.518   6.7913  263.144   6.7084 0.3738403 9.545897 
1 1 1  -13    7   37 o  303.446   7.0994  624.515   29.194  624.515   29.194   0.0000   0.0000  303.446   7.0994  ?   ?       ?      ? 
1 1 1  -13    7   38 o  343.221   6.4984  795.145   28.237  812.031   50.034  787.253   34.205  345.773   10.678  340.668   7.4093 5.105408 12.99677 
1 1 1  -13    7   39 o  410.687   7.1535  1160.84   37.620  1097.32   63.889  1194.56   46.545  401.808   11.733  419.566   8.1863 -17.75745 14.30701 
1 1 1  -13    7   40 o  306.773   7.2719  638.409   30.210  613.466   41.821  665.628   43.686  300.516   10.269  313.029   10.299 -12.51328 14.54372 
1 1 1  -13    7   41 o  143.930   6.1705  141.148   11.169  142.014   13.506  139.273   19.868  144.685   6.8882  143.176   10.240 1.509445 12.34108 
1 1 1  -13    7   42 o  498.198   7.9746  1702.74   51.093  1638.97   86.423  1737.01   63.349  490.676   12.997  505.720   9.2437 -15.04440 15.94916 
1 1 1  -13    7   43 o  399.359   6.9353  1079.31   35.364  1096.88   61.555  1070.66   43.205  401.587   11.311  397.131   8.0283 4.456787 13.87059 
1 1 1  -13    7   44 o  227.471   5.8669  348.025   16.954  341.951   20.567  360.908   29.951  224.487   6.7606  230.456   9.5904 -5.969696 11.73383 
1 1 1  -13    7   45 o  501.208   6.5366  1707.02   44.396  1710.46   62.974  1703.62   62.599  501.707   9.2625  500.709   9.2258 0.9979858 13.07322 
1 1 1  -13    7   46 o  474.690   6.3156  1530.72   40.620  1556.45   58.061  1506.06   56.849  478.592   8.9523  470.788   8.9107 7.803864 12.63111 
1 1 1  -13    7   47 o  395.096   5.6868  1059.42   30.435  1092.80   43.811  1028.30   42.311  401.103   8.0602  389.090   8.0245 12.01303 11.37363 
1 1 1  -13    7   48 o  458.089   6.2061  1423.10   38.483  1502.09   55.996  1352.41   52.976  470.105   8.7898  446.073   8.7638 24.03253 12.41227 
1 1 1  -13    7   49 o  500.211   6.5623  1700.65   44.471  1654.58   62.076  1749.22   63.739  493.254   9.2869  507.168   9.2740 -13.91385 13.12454 
1 1 1  -13    7   50 o  488.747   6.4622  1624.42   42.797  1639.71   60.984  1609.57   60.075  491.009   9.1652  486.486   9.1126 4.522888 12.92443 
1 1 1  -13    7   51 o  355.384   7.6858  858.146   37.014  858.146   37.014   0.0000   0.0000  355.384   7.6858  ?   ?       ?      ? 
1 1 1  -13    7   52 o  382.290   5.6111  993.349   29.068  992.801   41.217  993.891   41.001  382.181   7.9584  382.398   7.9122 -0.2167664 11.22225 
1 1 1  -13    7   53 o  241.265   4.8617  395.096   15.873  366.912   22.138  424.914   22.771  232.403   7.0295  250.127   6.7181 -17.72383 9.723479 
1 1 1  -13    7   54 f  267.008   9.4574  485.444   34.220   0.0000   0.0000  485.444   34.220  ?   ?   267.008   9.4574      ?      ? 
1 1 1  -13    7   55 o  237.917   5.9808  386.916   18.254  379.496   31.187  390.782   22.514  236.012   9.7513  239.821   6.9275 -3.809647 11.96154 
1 1 1  -13    7   56 o  184.099   5.6276  229.128   13.513  225.464   16.885  235.654   22.534  182.157   6.8403  186.041   8.9382 -3.884369 11.25529 
1 1 1  -13    7   57 o  257.807   4.9309  451.154   17.208  422.677   23.909  481.760   24.787  249.366   7.0752  266.249   6.8699 -16.88300 9.861701 
1 1 1  -13    7   58 o  210.092   4.7876  299.718   13.624  311.358   19.593  288.821   18.958  214.040   6.7551  206.145   6.7862 7.894958 9.575213 
1 1 1  -13    7   59 o  191.577   6.0403  247.746   14.643  243.891   17.709  256.079   26.036  189.410   6.8992  193.744   9.9168 -4.333740 12.08061 
1 1 1  -13    7   60 o  326.063   6.6175  723.550   27.336  720.983   33.194  728.959   48.187  325.531   7.5247  326.594   10.888 -1.063232 13.23492 
1 1 1  -13    7   61 o  344.018   5.4402  803.456   25.330  854.157   36.894  758.251   34.837  354.260   7.6851  333.776   7.7020 20.48386 10.88037 
1 1 1  -13    7   62 o  331.454   6.5960  748.813   27.786  751.513   48.633  747.505   33.856  331.505   10.826  331.404   7.5387 0.1010437 13.19206 
1 1 1  -13    7   63 o  118.101   6.9510   82.160   10.249  133.902   19.792   63.204   11.980  139.953   10.436   96.248   9.1848 43.70425 13.90198 
1 1 1  -13    7   64 o  181.758   4.9746  225.118   12.172  192.797   16.988  259.218   17.449  168.285   7.4491  195.231   6.5953 -26.94617 9.949251 
1 1 1  -13    7   65 o  138.081   5.1749  129.864   9.6761  128.110   13.899  131.514   13.478  137.161   7.4780  139.001   7.1554 -1.839508 10.34988 
1 1 1  -13    7   66 o  167.234   4.9776  189.926   11.267  202.288   16.384  178.837   15.518  172.387   7.0137  162.081   7.0651 10.30518 9.955241 
1 1 1  -13    7   67 o  155.695   7.2843  165.121   15.369  165.121   15.369   0.0000   0.0000  155.695   7.2843  ?   ?       ?      ? 
1 1 1  -13    7   68 o  202.856   4.9818  280.081   13.687  286.896   19.762  273.798   18.975  205.217   7.1063  200.496   6.9837 4.720444 9.963502 
1 1 1  -13    7   69 o  118.532   7.1463  102.255   10.434   80.765   17.991  113.148   12.809  108.239   12.266  128.824   7.3372 -20.58460 14.29258 
1 1 1  -13    7   70 o  126.204   5.5040  108.607   9.4055  114.856   13.550  102.796   13.066  129.712   7.7084  122.695   7.8584 7.016281 11.00796 
1 1 1  -13    7   71 o   86.434   6.6332   51.461   7.7341   47.266   11.143   55.361   10.743   82.959   9.9121   89.908   8.8176 -6.949059 13.26650 
1 1 1  -13    7   72 o   87.174   6.5291   52.170   7.7086   51.889   11.075   52.434   10.736   86.926   9.4014   87.422   9.0626 -0.4960785 13.05828 
1 1 1  -13    7   73 o  144.528   7.1963  160.808   12.497  205.103   16.080   93.245   19.859  173.300   6.8469  115.756   12.660 57.54431 14.39268 
1 1 1  -13    7   74 o  107.876   8.0230   84.711   10.390   90.216   12.391   71.676   19.068  114.712   7.9710  101.040   13.926 13.67146 16.04601 
1 1 1  -13    7   75 o  236.297   5.0749  382.380   16.249  377.147   22.996  387.597   22.964  234.663   7.2316  237.930   7.1221 -3.266876 10.14987 
1 1 1  -13    7   76 o  124.775   5.4633  106.803   9.2322  111.516   13.316  102.442   12.811  127.425   7.7117  122.124   7.7409 5.300377 10.92666 
1 1 1  -13    7   77 o  125.543   5.4066  108.297   9.1946  111.943   13.211  104.871   12.805  127.592   7.6408  123.493   7.6513 4.098640 10.81316 
1 1 1  -13    7   78 o   71.631   8.8381   33.420   7.9503   47.474   14.569   27.460   9.4873   81.732   13.154   61.531   11.807 20.20069 17.67618 
1 1 1  -13    7   79 o   97.157   7.4206   68.150   8.9557   60.803   15.753   71.659   10.886   92.464   12.572  101.850   7.8873 -9.386154 14.84110 
1 1 1  -13    7   80 f   73.243   7.0042   37.575   6.9419   37.847   10.106   37.332   9.5518   73.432   10.156   73.054   9.6484 0.3784561 14.00849 
1 1 1  -13    7   81 o   68.547   9.0987   32.714   7.6888   41.161   13.847   28.949   9.2450   74.061   14.315   63.033   11.235 11.02805 18.19739 
1 1 1  -13    7   82 o  131.777   6.3483  119.954   10.721  127.118   18.652  116.419   13.102  133.999   10.272  129.555   7.4630 4.443710 12.69652 
1 1 1  -13    7   83 o   61.079   9.8510   28.166   7.6205   29.259   13.251   27.626   9.3150   61.084   15.866   61.074   11.681 0.9555817E-02 19.70193 
1 1 1  -13    7   84 o  101.470   7.0505   69.912   9.3270   86.202   16.044   61.596   11.463  109.546   10.808   93.393   9.0574 16.15315 14.10110 
1 1 1  -13    7   85 o  135.469   6.5280  128.285   11.353  136.702   19.686  124.091   13.897  137.807   10.542  133.132   7.7027 4.675842 13.05603 
1 1 1  -13    7   86 o  116.027   8.0822   98.297   12.680   96.431   17.308  100.458   18.629  115.084   11.098  116.970   11.752 -1.886490 16.16441 
1 1 1  -13    7   87 o   33.751   14.128   3.9252   10.842   3.9252   10.842   0.0000   0.0000   33.751   14.128  ?   ?       ?      ? 
1 1 1  -13    7   88 o   76.674   13.844   45.925   13.855   45.925   13.855   0.0000   0.0000   76.674   13.844  ?   ?       ?      ? 
1 1 1  -13    7   89 o   54.942   15.827   25.011   12.426   25.011   12.426   0.0000   0.0000   54.942   15.827  ?   ?       ?      ? 
1 1 1  -13    7   90 o   66.895   14.870   36.373   13.130   36.373   13.130   0.0000   0.0000   66.895   14.870  ?   ?       ?      ? 
1 1 1  -13    7   91 o   45.953   15.700   17.154   11.744   17.154   11.744   0.0000   0.0000   45.953   15.700  ?   ?       ?      ? 
1 1 1  -13    8    1 o  407.867   5.5921  1127.43   30.901  1159.81   44.183  1096.43   43.235  413.598   7.8830  402.136   7.9338 11.46191 11.18421 
1 1 1  -13    8    2 o  498.708   6.3833  1684.82   43.117  1751.28   62.131  1623.08   59.885  508.185   9.0220  489.230   9.0328 18.95520 12.76666 
1 1 1  -13    8    3 o  700.699   8.2978  3331.04   78.787  3303.42  110.715  3359.38  112.143  697.759   11.709  703.639   11.761 -5.879944 16.59569 
1 1 1  -13    8    4 o  904.875   10.380  5559.47  127.273  5513.56  178.955  5606.45  181.046  901.099   14.655  908.651   14.703 -7.552429 20.75946 
1 1 1  -13    8    5 o  745.708   8.7677  3762.88   88.469  3981.16  129.456  3571.62  121.181  765.933   12.472  725.482   12.326 40.45068 17.53546 
1 1 1  -13    8    6 o  468.374   6.1542  1487.37   39.059  1509.44   55.548  1465.79   54.931  471.810   8.6880  464.937   8.7185 6.873322 12.30833 
1 1 1  -13    8    7 o  430.873   7.3376  1283.67   40.300  1335.46   49.788  1185.28   68.629  443.803   8.2786  417.942   12.117 25.86084 14.67529 
1 1 1  -13    8    8 o  724.290   9.8385  3628.65   85.289  3708.56  100.105  3417.02  162.906  739.452   9.9900  709.128   16.952 30.32452 19.67693 
1 1 1  -13    8    9 o  967.673   12.664  6261.12  142.546  6164.98  163.308  6568.74  292.125  953.106   12.644  982.240   21.947 -29.13385 25.32833 
1 1 1  -13    8   10 o  659.050   9.1560  3049.50   73.054  3186.74   86.883  2718.33  134.962  685.497   9.3529  632.604   15.743 52.89227 18.31197 
1 1 1  -13    8   11 o  544.484   7.7391  1965.03   49.336  1921.33   56.604  2103.15  100.639  532.339   7.8465  556.628   13.342 -24.28864 15.47821 
1 1 1  -13    8   12 o  421.815   6.5111  1213.54   32.918  1221.54   38.506  1191.80   63.443  424.500   6.6938  419.129   11.170 5.370697 13.02216 
1 1 1  -13    8   13 o  491.466   7.1760  1602.99   41.453  1568.68   47.661  1709.55   83.998  481.028   7.3116  501.904   12.350 -20.87518 14.35208 
1 1 1  -13    8   14 o  438.523   6.7135  1324.07   35.392  1348.14   41.600  1261.00   67.347  445.947   6.8838  431.099   11.528 14.84711 13.42701 
1 1 1  -13    8   15 o  421.994   6.9806  1229.66   38.346  1293.66   48.675  1124.98   62.256  436.794   8.2234  407.193   11.282 29.60068 13.96115 
1 1 1  -13    8   16 o  646.560   8.9202  2841.62   68.325  2846.11   79.318  2828.71  134.522  647.824   9.0351  645.297   15.383 2.526184 17.84035 
1 1 1  -13    8   17 o  568.479   8.0389  2173.41   53.924  2153.67   62.304  2232.34  107.650  563.577   8.1580  573.381   13.854 -9.804871 16.07782 
1 1 1  -13    8   18 o  548.776   8.4189  2072.90   60.177  2156.65   76.183  1933.93   98.131  563.859   9.9703  533.694   13.568 30.16461 16.83777 
1 1 1  -13    8   19 o  676.821   9.8383  2953.90   82.763  2740.48   97.484  3504.86  156.630  635.500   11.320  718.141   16.095 -82.64136 19.67670 
1 1 1  -13    8   20 f  489.209   8.9689  1623.14   59.459  1623.14   59.459   0.0000   0.0000  489.209   8.9689  ?   ?       ?      ? 
1 1 1  -13    8   21 o  344.817   5.1665  803.515   24.102  861.980   35.249  752.175   33.031  356.559   7.2951  333.075   7.3180 23.48450 10.33304 
1 1 1  -13    8   22 o  448.699   8.4708  1365.38   51.507  1365.38   51.507   0.0000   0.0000  448.699   8.4708  ?   ?       ?      ? 
1 1 1  -13    8   23 o  380.944   7.7139  984.034   39.821  984.034   39.821   0.0000   0.0000  380.944   7.7139  ?   ?       ?      ? 
1 1 1  -13    8   24 o  450.733   6.0222  1376.77   36.769  1330.59   51.186  1426.01   52.852  442.929   8.5278  458.537   8.5057 -15.60733 12.04446 
1 1 1  -13    8   25 o  511.278   8.1337  1796.99   53.328  1847.20   66.054  1703.02   90.372  521.821   9.3411  500.735   13.318 21.08582 16.26743 
1 1 1  -13    8   26 o  399.820   6.9906  1095.36   35.669  1117.47   43.870  1052.22   61.268  405.928   7.9751  393.711   11.483 12.21649 13.98114 
1 1 1  -13    8   27 o  310.993   5.0020  653.550   21.043  706.134   30.763  607.310   28.848  322.711   7.0344  299.276   7.1131 23.43509 10.00397 
1 1 1  -13    8   28 o  725.760   10.593  3672.50  100.386  3988.57  129.404  3194.82  159.083  766.353   12.461  685.167   17.133 81.18622 21.18538 
1 1 1  -13    8   29 o  810.742   11.500  4385.09  117.656  4240.91  141.388  4709.74  212.164  790.063   13.206  831.420   18.831 -41.35760 22.99989 
1 1 1  -13    8   30 o  389.249   6.6777  1024.46   33.502  1016.38   41.337  1039.92   57.191  387.107   7.8801  391.390   10.783 -4.282867 13.35539 
1 1 1  -13    8   31 o  541.732   6.8508  1990.92   50.283  1946.54   70.301  2037.40   71.950  535.554   9.6867  547.910   9.6903 -12.35632 13.70162 
1 1 1  -13    8   32 o  509.728   6.5698  1761.86   45.363  1705.45   63.150  1822.00   65.207  501.304   9.2958  518.151   9.2865 -16.84671 13.13968 
1 1 1  -13    8   33 o  481.570   6.3173  1573.62   41.224  1586.45   58.707  1561.14   57.900  483.504   8.9599  479.636   8.9080 3.867645 12.63457 
1 1 1  -13    8   34 o  181.888   4.5921  224.180   11.313  229.514   16.330  219.257   15.687  183.966   6.5502  179.811   6.4378 4.155319 9.184243 
1 1 1  -13    8   35 o  343.218   5.2516  798.986   24.422  779.736   34.310  818.754   34.770  339.026   7.4681  347.410   7.3854 -8.383636 10.50320 
1 1 1  -13    8   36 o  201.635   5.7136  268.935   14.422  293.971   26.504  258.404   17.190  208.080   9.3994  195.191   6.4988 12.88869 11.42730 
1 1 1  -13    8   37 o  170.342   5.7881  196.689   12.334  197.568   22.253  196.299   14.818  170.563   9.6277  170.122   6.4276 0.4408264 11.57610 
1 1 1  -13    8   38 o  425.274   5.8807  1226.97   33.880  1256.93   48.653  1198.77   47.207  430.309   8.3434  420.240   8.2895 10.06915 11.76133 
1 1 1  -13    8   39 o  254.046   5.7899  430.227   18.704  460.770   33.224  416.055   22.632  260.451   9.4134  247.640   6.7439 12.81013 11.57983 
1 1 1  -13    8   40 o  497.115   12.956  1682.84   87.280  1682.84   87.280   0.0000   0.0000  497.115   12.956  ?   ?       ?      ? 
1 1 1  -13    8   41 o  491.525   6.4615  1639.76   43.018  1578.40   59.817  1705.49   61.910  482.007   9.1577  501.043   9.1181 -19.03577 12.92304 
1 1 1  -13    8   42 o  381.116   6.8599  976.762   33.146  958.062   40.118  1016.98   58.834  375.635   7.8812  386.597   11.230 -10.96152 13.71975 
1 1 1  -13    8   43 f  177.811   5.9690  217.305   13.406  221.978   16.338  207.673   23.454  180.857   6.6663  174.765   9.9033 6.091629 11.93795 
1 1 1  -13    8   44 o  111.533   11.029   84.673   16.670   84.673   16.670   0.0000   0.0000  111.533   11.029  ?   ?       ?      ? 
1 1 1  -13    8   45 o  215.531   6.8398  315.862   19.974  308.023   28.046  323.930   28.454  212.814   9.7248  218.249   9.6206 -5.434357 13.67950 
1 1 1  -13    8   46 o  133.855   6.2361  116.772   10.654  107.819   12.833  136.636   19.114  125.997   7.5159  141.712   9.9534 -15.71573 12.47230 
1 1 1  -13    8   47 o  302.388   7.2422  620.989   29.677  620.989   29.677   0.0000   0.0000  302.388   7.2422  ?   ?       ?      ? 
1 1 1  -13    8   48 o  417.927   5.8899  1186.43   33.345  1218.57   47.963  1156.35   46.389  423.398   8.3594  412.456   8.2996 10.94208 11.77977 
1 1 1  -13    8   49 o  366.838   6.5812  886.359   30.810  833.329   37.213  1001.94   54.939  350.174   7.8420  383.502   10.571 -33.32828 13.16240 
1 1 1  -13    8   50 o  245.792   6.6715  408.315   22.140  447.554   33.057  376.394   29.815  256.417   9.5135  235.168   9.3558 21.24899 13.34305 
1 1 1  -13    8   51 o  169.190   4.8012  194.527   10.995  192.376   15.888  196.504   15.231  168.281   6.9673  170.099   6.6078 -1.818024 9.602401 
1 1 1  -13    8   52 o   98.683   7.0750   67.483   8.6096   63.586   15.656   69.173   10.308   96.486   11.973  100.879   7.5406 -4.392311 14.15008 
1 1 1  -13    8   53 o  106.568   6.7889   78.056   8.9938   75.617   16.248   79.133   10.799  105.240   11.393  107.897   7.3857 -2.656586 13.57778 
1 1 1  -13    8   54 o  219.104   5.6215  321.424   16.078  308.342   20.007  345.279   27.015  213.010   6.9310  225.198   8.8524 -12.18852 11.24291 
1 1 1  -13    8   55 o  224.034   5.7323  344.265   16.764  352.174   21.184  331.011   27.423  227.638   6.8671  220.431   9.1804 7.207413 11.46465 
1 1 1  -13    8   56 o  215.140   4.8166  314.358   14.035  321.629   20.245  307.630   19.475  217.528   6.8679  212.752   6.7549 4.775421 9.633140 
1 1 1  -13    8   57 o  272.855   5.0069  505.486   18.500  530.561   26.736  482.451   25.625  279.341   7.0627  266.370   7.0989 12.97064 10.01384 
1 1 1  -13    8   58 o  114.190   6.9322   86.778   10.016   83.085   12.041   95.070   18.044  110.474   8.0432  117.905   11.293 -7.430733 13.86445 
1 1 1  -13    8   59 o  191.212   4.8689  248.989   12.598  237.526   18.008  259.975   17.630  186.873   7.1109  195.551   6.6527 -8.678223 9.737795 
1 1 1  -13    8   60 o  273.272   5.0588  507.487   18.721  522.549   27.097  493.732   25.895  277.138   7.2152  269.406   7.0928 7.731293 10.11767 
1 1 1  -13    8   61 f  227.653   6.0604  338.639   17.362  392.661   31.967  316.035   20.678  239.780   9.8380  215.526   7.0800 24.25444 12.12073 
1 1 1  -13    8   62 o  236.634   7.1238  381.049   22.844  381.049   22.844   0.0000   0.0000  236.634   7.1238  ?   ?       ?      ? 
1 1 1  -13    8   63 o  248.266   4.9833  419.603   16.760  412.227   23.868  426.777   23.540  246.096   7.1571  250.436   6.9362 -4.339905 9.966669 
1 1 1  -13    8   64 o  229.749   7.0925  359.335   22.082  359.335   22.082   0.0000   0.0000  229.749   7.0925  ?   ?       ?      ? 
1 1 1  -13    8   65 o  197.280   4.9540  264.643   13.235  276.590   19.113  253.635   18.346  201.554   6.9976  193.007   7.0144 8.547028 9.907972 
1 1 1  -13    8   66 o  238.008   7.1185  385.885   22.959  385.885   22.959   0.0000   0.0000  238.008   7.1185  ?   ?       ?      ? 
1 1 1  -13    8   67 o  152.064   6.1495  151.637   11.907  176.631   21.442  140.495   14.317  160.573   9.8541  143.556   7.3595 17.01736 12.29902 
1 1 1  -13    8   68 f  124.552   5.5491  105.571   9.3461  110.992   13.778  100.951   12.720  127.489   7.9750  121.616   7.7182 5.873253 11.09827 
1 1 1  -13    8   69 o  135.450   5.3199  125.313   9.7499  124.240   14.153  126.283   13.451  134.867   7.7438  136.033   7.2967 -1.165375 10.63990 
1 1 1  -13    8   70 o  184.460   5.0048  232.713   12.461  208.042   17.552  257.788   17.695  174.516   7.4216  194.405   6.7166 -19.88953 10.00963 
1 1 1  -13    8   71 o  117.301   5.5727   94.446   8.8320   88.503   12.697  100.017   12.293  113.660   8.2435  120.942   7.5009 -7.281174 11.14536 
1 1 1  -13    8   72 o   45.676   13.997   14.721   9.4822   14.721   9.4822   0.0000   0.0000   45.676   13.997  ?   ?       ?      ? 
1 1 1  -13    8   73 o  138.057   5.3863  130.713   10.071  134.217   14.129  127.095   14.357  139.974   7.4488  136.141   7.7822 3.832397 10.77255 
1 1 1  -13    8   74 o  110.314   5.7768   83.888   8.6111   79.149   12.405   88.296   11.963  107.225   8.5371  113.402   7.7847 -6.176903 11.55352 
1 1 1  -13    8   75 o  112.762   5.5957   87.700   8.5267   82.630   12.271   92.434   11.857  109.525   8.2678  116.000   7.5427 -6.474930 11.19146 
1 1 1  -13    8   76 o   47.142   8.1719   15.407   6.1826   2.3256   8.8610   27.817   8.6306   31.070   12.869   63.215   10.075 -32.14487 16.34381 
1 1 1  -13    8   77 o   62.053   9.7776   31.659   7.7768   18.043   14.042   37.682   9.3398   50.488   17.168   73.618   9.3621 -23.12974 19.55514 
1 1 1  -13    8   78 o  102.066   7.5813   76.826   9.4392   64.259   16.768   82.656   11.421   94.751   13.059  109.381   7.7050 -14.62997 15.16262 
1 1 1  -13    8   79 o   79.312   6.6682   43.780   7.1483   47.888   10.545   40.288   9.7230   82.743   9.4048   75.881   9.4555 6.862152 13.33635 
1 1 1  -13    8   80 o   64.384   9.2524   36.665   7.8079   12.735   13.148   49.701   9.7044   44.337   16.446   84.431   8.4817 -40.09406 18.50472 
1 1 1  -13    8   81 o   64.243   9.6270   34.383   7.9080   20.179   13.530   41.754   9.7461   51.463   16.838   77.023   9.3374 -25.56043 19.25407 
1 1 1  -13    8   82 o   56.518   10.062   23.444   7.4591   29.695   12.591   20.063   9.2588   61.717   15.163   51.319   13.229 10.39746 20.12327 
1 1 1  -13    8   83 o   68.734   9.1949   35.970   7.9750   33.382   13.299   37.423   9.9658   65.120   15.325   72.348   10.165 -7.228203 18.38977 
1 1 1  -13    8   84 o   80.263   10.361   50.198   10.859   54.392   14.598   45.002   16.247   85.766   12.560   74.759   16.481 11.00618 20.72137 
1 1 1  -13    8   85 o   91.363   9.2581   61.408   11.354   53.207   14.911   72.724   17.516   84.264   13.058   98.463   13.127 -14.19952 18.51626 
1 1 1  -13    8   86 o   74.793   14.337   43.968   14.002   43.968   14.002   0.0000   0.0000   74.793   14.337  ?   ?       ?      ? 
1 1 1  -13    8   87 o   81.233   13.171   50.134   14.499   50.134   14.499   0.0000   0.0000   81.233   13.171  ?   ?       ?      ? 
1 1 1  -13    8   88 o   56.846   16.032   26.977   12.885   26.977   12.885   0.0000   0.0000   56.846   16.032  ?   ?       ?      ? 
1 1 1  -13    8   89 o   57.110   15.906   27.386   12.766   27.386   12.766   0.0000   0.0000   57.110   15.906  ?   ?       ?      ? 
1 1 1  -13    8   90 o   55.912   15.987   26.543   12.722   26.543   12.722   0.0000   0.0000   55.912   15.987  ?   ?       ?      ? 
1 1 1  -13    9    1 o  537.151   6.7589  1956.12   49.184  2015.67   70.549  1899.81   68.605  545.100   9.5507  529.201   9.5665 15.89923 13.51789 
1 1 1  -13    9    2 o  396.030   5.5491  1062.02   29.758  1116.87   42.981  1011.52   41.242  405.839   7.8152  386.222   7.8799 19.61703 11.09821 
1 1 1  -13    9    3 o  401.484   11.568  1094.03   62.939   0.0000   0.0000  1094.03   62.939  ?   ?   401.484   11.568      ?      ? 
1 1 1  -13    9    4 o  613.705   9.2490  2529.54   71.575  2482.61   86.222  2633.53  128.365  604.886   10.519  622.524   15.216 -17.63751 18.49804 
1 1 1  -13    9    5 f  534.036   6.7435  1933.26   48.785  1995.47   70.053  1874.68   67.979  542.372   9.5311  525.699   9.5423 16.67303 13.48699 
1 1 1  -13    9    6 o  361.304   5.2930  885.104   25.915  882.015   36.495  888.245   36.804  360.669   7.4670  361.939   7.5038 -1.270294 10.58595 
1 1 1  -13    9    8 o  475.979   8.8552  1536.59   57.117   0.0000   0.0000  1536.59   57.117  ?   ?   475.979   8.8552      ?      ? 
1 1 1  -13    9    9 o  646.961   8.9113  2799.05   67.488  2758.08   77.563  2926.73  136.928  637.683   8.9757  656.240   15.397 -18.55682 17.82252 
1 1 1  -13    9   10 o  415.153   6.4021  1127.26   31.217  1087.84   35.772  1253.17   63.930  400.576   6.5899  429.729   10.978 -29.15314 12.80416 
1 1 1  -13    9   11 o  378.312   6.1732  990.724   28.187  1016.08   33.275  926.314   53.037  387.146   6.3425  369.479   10.593 17.66699 12.34638 
1 1 1  -13    9   12 o  518.899   7.5787  1860.36   47.192  1900.48   55.465  1755.15   89.820  529.403   7.7312  508.395   13.037 21.00873 15.15734 
1 1 1  -13    9   13 o  424.923   6.6864  1270.75   34.450  1334.17   41.068  1120.15   63.288  443.604   6.8317  406.242   11.496 37.36179 13.37285 
1 1 1  -13    9   14 o  526.334   7.5891  1849.40   46.994  1819.31   54.123  1941.60   94.732  517.970   7.7107  534.698   13.074 -16.72815 15.17829 
1 1 1  -13    9   15 o  263.146   5.2168  471.227   16.739  473.440   19.776  465.636   31.432  264.281   5.5219  262.010   8.8525 2.271606 10.43355 
1 1 1  -13    9   16 o  507.057   7.9853  1778.61   52.897  1886.14   67.653  1609.47   84.850  527.285   9.4680  486.830   12.861 40.45557 15.97064 
1 1 1  -13    9   17 o  500.689   7.9260  1737.47   51.895  1858.15   66.654  1551.73   82.693  523.359   9.3982  478.019   12.766 45.34018 15.85207 
1 1 1  -13    9   18 o  471.703   6.9902  1456.09   38.531  1406.95   44.053  1616.08   79.481  455.521   7.1365  487.886   12.022 -32.36508 13.98034 
1 1 1  -13    9   19 o  455.817   6.8869  1401.93   37.372  1393.55   43.417  1425.88   73.422  453.348   7.0671  458.286   11.822 -4.938141 13.77373 
1 1 1  -13    9   20 o  648.555   9.5091  2814.57   78.383  2737.34   94.910  2980.25  139.010  635.049   11.029  662.062   15.494 -27.01312 19.01827 
1 1 1  -13    9   21 o  717.142   10.341  3461.44   94.456  3397.15  114.841  3595.88  166.071  707.323   11.981  726.961   16.858 -19.63763 20.68165 
1 1 1  -13    9   22 o  662.262   9.7062  2994.89   82.741  3027.69  102.435  2933.31  140.351  667.811   11.319  656.714   15.771 11.09656 19.41248 
1 1 1  -13    9   23 o  531.090   9.5526  1913.89   68.750  1913.89   68.750   0.0000   0.0000  531.090   9.5526  ?   ?       ?      ? 
1 1 1  -13    9   24 o  502.787   7.8441  1701.44   50.481  1671.88   61.689  1761.36   87.829  496.394   9.1707  509.180   12.729 -12.78650 15.68824 
1 1 1  -13    9   25 o  719.743   12.093  3518.75  117.952  3518.75  117.952   0.0000   0.0000  719.743   12.093  ?   ?       ?      ? 
1 1 1  -13    9   26 o  619.032   7.5634  2600.45   63.430  2656.77   91.007  2547.25   88.454  625.542   10.736  612.522   10.656 13.01923 15.12672 
1 1 1  -13    9   27 o  468.026   6.2088  1485.52   39.367  1520.75   56.504  1452.30   54.879  473.412   8.8076  462.639   8.7535 10.77316 12.41758 
1 1 1  -13    9   28 o  384.385   7.8597  1002.32   40.941  1002.32   40.941   0.0000   0.0000  384.385   7.8597  ?   ?       ?      ? 
1 1 1  -13    9   29 o  240.562   6.7128  392.470   21.883  392.470   21.883   0.0000   0.0000  240.562   6.7128  ?   ?       ?      ? 
1 1 1  -13    9   30 o  628.772   10.864  2685.60   92.570  2685.60   92.570   0.0000   0.0000  628.772   10.864  ?   ?       ?      ? 
1 1 1  -13    9   31 o  543.038   9.7614  2002.40   71.833  2002.40   71.833   0.0000   0.0000  543.038   9.7614  ?   ?       ?      ? 
1 1 1  -13    9   32 f  230.386   4.6734  360.146   14.566  333.720   20.462  387.298   20.741  221.807   6.8075  238.965   6.4049 -17.15817 9.346896 
1 1 1  -13    9   33 o  404.517   8.0846  1110.56   44.318  1110.56   44.318   0.0000   0.0000  404.517   8.0846  ?   ?       ?      ? 
1 1 1  -13    9   34 o  512.886   8.1652  1760.66   52.671  1863.77   95.268  1715.27   63.210  523.209   13.437  502.563   9.2814 20.64645 16.33048 
1 1 1  -13    9   35 f  236.903   6.5285  380.729   20.959   0.0000   0.0000  380.729   20.959  ?   ?   236.903   6.5285      ?      ? 
1 1 1  -13    9   36 o  157.740   5.5312  166.226   11.112  176.655   19.645  161.319   13.475  161.274   8.9887  154.205   6.4483 7.069504 11.06240 
1 1 1  -13    9   37 o  191.783   5.4875  245.969   13.432  260.657   23.632  238.959   16.326  195.893   8.9021  187.674   6.4192 8.218628 10.97509 
1 1 1  -13    9   38 o  242.577   6.7245  399.302   22.105  399.302   22.105   0.0000   0.0000  242.577   6.7245  ?   ?       ?      ? 
1 1 1  -13    9   39 o  188.056   6.6976  239.997   17.068  239.997   17.068   0.0000   0.0000  188.056   6.6976  ?   ?       ?      ? 
1 1 1  -13    9   40 o  305.893   6.2900  617.548   24.160  589.261   28.831  684.255   44.274  294.620   7.2213  317.167   10.301 -22.54724 12.58009 
1 1 1  -13    9   41 o  329.103   6.4901  733.700   27.111  729.013   32.949  743.526   47.704  327.665   7.4205  330.540   10.650 -2.874542 12.98029 
1 1 1  -13    9   42 o  267.814   4.8479  486.638   17.588  496.174   25.300  477.719   24.467  270.348   6.9057  265.280   6.8060 5.067932 9.695895 
1 1 1  -13    9   43 o  186.425   4.6992  235.273   11.853  247.882   17.361  224.263   16.223  191.088   6.7043  181.762   6.5864 9.325424 9.398361 
1 1 1  -13    9   44 o  381.096   5.6087  986.835   28.965  980.043   41.015  993.592   40.910  379.783   7.9693  382.409   7.8944 -2.626373 11.21746 
1 1 1  -13    9   45 o  414.865   8.1933  1172.77   46.034  1191.94   66.475  1155.11   63.811  418.087   11.733  411.642   11.439 6.444580 16.38655 
1 1 1  -13    9   46 o  243.811   5.8406  388.030   18.001  448.481   32.847  362.084   21.520  256.718   9.4420  230.903   6.8774 25.81531 11.68117 
1 1 1  -13    9   47 o  289.826   5.0472  570.746   19.818  563.394   28.221  577.899   27.837  287.974   7.2317  291.677   7.0427 -3.703491 10.09445 
1 1 1  -13    9   48 o  471.011   8.9854  1509.65   57.352  1509.65   57.352   0.0000   0.0000  471.011   8.9854  ?   ?       ?      ? 
1 1 1  -13    9   49 o  374.138   8.0251  951.849   40.688  951.849   40.688   0.0000   0.0000  374.138   8.0251  ?   ?       ?      ? 
1 1 1  -13    9   50 o  210.105   6.0035  299.433   15.868  302.851   28.377  297.878   19.140  210.813   9.9332  209.397   6.7452 1.416214 12.00693 
1 1 1  -13    9   51 o   45.198   16.389   11.676   12.940   11.676   12.940   0.0000   0.0000   45.198   16.389  ?   ?       ?      ? 
1 1 1  -13    9   52 o  212.908   6.9354  308.074   20.010  308.074   20.010   0.0000   0.0000  212.908   6.9354  ?   ?       ?      ? 
1 1 1  -13    9   53 o  260.971   4.9558  463.063   17.522  453.469   24.853  472.544   24.707  258.272   7.1011  263.670   6.9147 -5.398743 9.911533 
1 1 1  -13    9   54 o  154.121   4.9426  161.579   10.304  159.837   14.990  163.139   14.187  153.316   7.2148  154.926   6.7576 -1.609558 9.885290 
1 1 1  -13    9   55 o  200.222   4.8638  271.309   13.166  292.849   19.416  252.972   17.914  207.543   6.9037  192.900   6.8531 14.64258 9.727551 
1 1 1  -13    9   56 o  249.516   6.1860  426.638   19.664  431.412   24.092  417.112   34.033  251.865   7.0586  247.167   10.161 4.697495 12.37191 
1 1 1  -13    9   57 o   97.603   6.0028   64.815   7.9295   66.619   11.566   63.215   10.892   98.873   8.6322   96.332   8.3438 2.541496 12.00557 
1 1 1  -13    9   58 o  152.767   5.0669  159.111   10.463  152.898   15.156  164.768   14.463  149.885   7.4618  155.648   6.8569 -5.763107 10.13387 
1 1 1  -13    9   59 f  234.200   10.183  374.845   32.319  374.845   32.319   0.0000   0.0000  234.200   10.183  ?   ?       ?      ? 
1 1 1  -13    9   60 o  223.850   6.2440  355.109   17.615  303.089   29.915  382.721   21.795  210.504   10.487  237.195   6.7805 -26.69150 12.48806 
1 1 1  -13    9   61 o  206.473   4.9214  290.183   13.753  288.630   19.917  291.598   19.015  205.922   7.1374  207.024   6.7778 -1.102493 9.842825 
1 1 1  -13    9   62 o   76.928   7.0126   39.947   7.2614   46.611   10.978   34.762   9.6823   82.566   9.8113   71.290   10.022 11.27611 14.02523 
1 1 1  -13    9   63 o   70.157   7.4484   33.360   7.0396   37.170   10.686   30.439   9.3566   73.645   10.708   66.668   10.357 6.976868 14.89684 
1 1 1  -13    9   64 o  109.713   5.7220   82.579   8.4498   77.316   12.446   87.079   11.509  106.400   8.6317  113.026   7.5140 -6.625710 11.44408 
1 1 1  -13    9   65 o   56.728   10.326   23.128   7.5571   22.304   13.767   23.484   9.0411   56.090   16.796   57.365   12.015 -1.274372 20.65126 
1 1 1  -13    9   66 o  126.530   6.4271  104.902   10.276  122.566   18.793   97.367   12.274  133.609   10.380  119.451   7.5826 14.15754 12.85421 
1 1 1  -13    9   67 o  100.519   6.0137   68.349   8.1392   79.943   12.218   59.097   10.914  108.116   8.3390   92.922   8.6671 15.19396 12.02734 
1 1 1  -13    9   68 o  108.031   5.7730   78.909   8.3792   95.065   12.563   65.961   11.246  117.913   7.8621   98.149   8.4555 19.76378 11.54595 
1 1 1  -13    9   69 o  124.389   5.4246  105.878   9.1224  105.243   13.345  106.435   12.499  123.997   7.9417  124.782   7.3916 -0.7847977 10.84924 
1 1 1  -13    9   70 o  156.921   5.2793  168.522   11.208  156.065   15.716  181.412   15.988  150.975   7.6817  162.868   7.2438 -11.89302 10.55853 
1 1 1  -13    9   71 o  152.123   7.4227  158.495   15.302  158.495   15.302   0.0000   0.0000  152.123   7.4227  ?   ?       ?      ? 
1 1 1  -13    9   72 o  116.454   5.5971   92.201   8.7426  112.760   13.029   75.361   11.792  128.226   7.4979  104.682   8.3122 23.54366 11.19422 
1 1 1  -13    9   73 f   56.774   8.7272   23.375   6.5155   24.850   9.5175   22.074   8.9383   58.473   12.396   55.076   12.288 3.396755 17.45438 
1 1 1  -13    9   74 o   96.346   5.9788   64.127   7.7901   63.313   11.341   64.854   10.719   95.704   8.7449   96.987   8.1554 -1.283203 11.95757 
1 1 1  -13    9   75 o   77.498   6.9336   41.941   7.2523   40.446   10.624   43.246   9.9247   76.091   10.303   78.904   9.2818 -2.813011 13.86717 
1 1 1  -13    9   76 o  102.102   7.1240   68.199   9.2238   86.775   16.968   60.407   10.989  110.912   11.289   93.291   8.6926 17.62065 14.24804 
1 1 1  -13    9   77 o   74.177   9.4449   43.290   8.2471   33.057   14.865   47.840   9.9125   65.468   16.702   82.887   8.8250 -17.41919 18.88983 
1 1 1  -13    9   78 o   64.970   9.6174   31.591   7.8186   29.990   13.823   32.344   9.4810   62.251   16.222   67.689   10.336 -5.438576 19.23484 
1 1 1  -13    9   79 o  120.773   6.8888  107.248   10.426   89.743   17.666  116.605   12.916  111.862   11.654  129.685   7.3494 -17.82285 13.77761 
1 1 1  -13    9   80 o   80.050   7.9248   42.000   8.2025   61.702   14.449   32.632   9.9634   92.569   11.519   67.532   10.887 25.03651 15.84958 
1 1 1  -13    9   81 o   55.071   10.225   23.101   7.4238   24.949   12.842   22.174   9.0980   56.095   16.070   54.048   12.646 2.047089 20.44947 
1 1 1  -13    9   82 o   55.250   10.129   23.960   7.4112   23.004   12.737   24.448   9.1125   53.672   16.175   56.828   12.198 -3.156769 20.25858 
1 1 1  -13    9   83 o   37.344   10.627   6.0381   8.8046   12.716   11.393  -3.8659   13.874   42.282   15.371   32.407   14.678 9.874359 21.25347 
1 1 1  -13    9   84 f   61.587   11.803   30.649   9.9740   26.751   12.914   36.411   15.701   57.211   16.021   65.964   17.337 -8.752232 23.60613 
1 1 1  -13    9   85 o   65.324   15.250   34.507   13.254   34.507   13.254   0.0000   0.0000   65.324   15.250  ?   ?       ?      ? 
1 1 1  -13    9   86 f   27.679   12.699  -4.9276   10.822  -4.9276   10.822   0.0000   0.0000   27.679   12.699  ?   ?       ?      ? 
1 1 1  -13    9   87 o   33.761   14.388   3.4210   11.581   3.4210   11.581   0.0000   0.0000   33.761   14.388  ?   ?       ?      ? 
1 1 1  -13    9   88 o   58.732   15.838   29.024   12.894   29.024   12.894   0.0000   0.0000   58.732   15.838  ?   ?       ?      ? 
1 1 1  -13    9   89 o   76.700   14.418   47.634   14.436   47.634   14.436   0.0000   0.0000   76.700   14.418  ?   ?       ?      ? 
1 1 1  -13   10    1 o  358.460   7.5467  871.446   36.659   0.0000   0.0000  871.446   36.659  ?   ?   358.460   7.5467      ?      ? 
1 1 1  -13   10    2 o  530.122   6.7238  1906.88   48.300  1932.76   68.524  1881.32   68.092  533.699   9.4747  526.544   9.5429 7.155029 13.44754 
1 1 1  -13   10    3 o  575.469   7.1437  2247.53   55.708  2245.21   78.481  2249.89   79.089  575.172   10.069  575.766   10.136 -0.5936890 14.28748 
1 1 1  -13   10    4 o  332.913   5.1382  750.972   23.166  790.047   33.245  714.090   32.298  341.327   7.1874  324.499   7.3449 16.82858 10.27648 
1 1 1  -13   10    5 o  486.803   6.3742  1607.69   42.048  1628.05   59.652  1587.59   59.279  489.867   8.9860  483.738   9.0429 6.128906 12.74844 
1 1 1  -13   10    6 o  852.254   9.8921  4932.40  114.190  4798.85  158.495  5076.55  164.661  840.282   13.919  864.226   14.060 -23.94403 19.78429 
1 1 1  -13   10    7 o  935.135   10.755  5943.24  136.246  6092.52  195.819  5803.17  189.690  946.497   15.267  923.773   15.153 22.72388 21.51023 
1 1 1  -13   10    8 o  466.040   6.2001  1472.94   39.149  1446.71   54.745  1500.39   56.008  461.796   8.7480  470.283   8.7884 -8.486603 12.40015 
1 1 1  -13   10    9 o  328.938   5.8018  746.245   23.132  762.174   27.347  706.182   43.368  335.293   6.0186  322.582   9.9208 12.71124 11.60370 
1 1 1  -13   10   10 o  581.992   8.2204  2277.57   56.328  2255.06   64.999  2345.44  112.882  576.582   8.3188  587.401   14.181 -10.81891 16.44090 
1 1 1  -13   10   11 o  522.482   7.6084  1860.05   47.326  1867.68   55.121  1838.67   92.310  524.763   7.7513  520.202   13.095 4.560791 15.21686 
1 1 1  -13   10   12 o  363.293   6.1617  928.747   27.173  975.246   32.417  818.878   49.830  379.262   6.3074  347.324   10.587 31.93817 12.32339 
1 1 1  -13   10   13 o  647.299   9.5273  2729.37   77.225  2555.40   91.634  3155.79  143.462  613.501   11.022  681.096   15.543 -67.59473 19.05466 
1 1 1  -13   10   14 o  418.870   7.0343  1199.93   38.388  1225.14   48.348  1156.91   63.147  424.971   8.3954  412.769   11.289 12.20224 14.06867 
1 1 1  -13   10   15 f  202.229   5.0211  282.572   12.513  290.343   14.980  264.634   22.760  206.954   5.3415  197.505   8.5038 9.448822 10.04226 
1 1 1  -13   10   16 o  261.097   5.7736  472.257   19.887  515.797   26.101  411.998   30.706  275.789   6.9838  246.405   9.1958 29.38420 11.54712 
1 1 1  -13   10   17 o  203.272   4.9587  279.654   12.453  278.855   14.816  281.578   22.982  202.815   5.3908  203.729   8.3243 -0.9143982 9.917383 
1 1 1  -13   10   18 o  214.447   5.1509  323.079   13.562  340.160   16.313  284.853   24.404  224.001   5.3740  204.893   8.7891 19.10860 10.30184 
1 1 1  -13   10   19 o  253.647   5.1961  435.926   16.093  435.348   19.002  437.391   30.265  253.406   5.5334  253.888   8.7965 -0.4822540 10.39217 
1 1 1  -13   10   20 o  441.564   6.9673  1322.36   41.691  1322.36   41.691   0.0000   0.0000  441.564   6.9673  ?   ?       ?      ? 
1 1 1  -13   10   21 o  223.419   5.4800  338.419   16.592  338.419   16.592   0.0000   0.0000  223.419   5.4800  ?   ?       ?      ? 
1 1 1  -13   10   22 o  191.244   4.9837  247.953   11.890  247.770   14.257  248.369   21.546  191.167   5.5034  191.321   8.3104 -0.1542206 9.967411 
1 1 1  -13   10   23 o  468.559   7.0890  1504.86   39.808  1521.34   46.621  1460.51   76.482  473.578   7.2645  463.540   12.176 10.03796 14.17807 
1 1 1  -13   10   24 o  504.278   7.5004  1767.32   45.590  1817.89   53.828  1639.00   85.749  517.635   7.6736  490.922   12.889 26.71335 15.00073 
1 1 1  -13   10   25 o  275.162   5.2759  486.794   17.536  457.334   20.304  573.317   34.795  259.701   5.7692  290.623   8.8350 -30.92200 10.55179 
1 1 1  -13   10   26 o  248.073   4.6909  417.592   15.761  402.480   22.317  432.630   22.262  243.589   6.7607  252.558   6.5046 -8.969330 9.381721 
1 1 1  -13   10   27 o  390.452   5.5959  1028.38   29.520  1129.39   43.750  943.958   39.996  407.947   7.9139  372.957   7.9136 34.98962 11.19174 
1 1 1  -13   10   28 f  451.666   6.0854  1382.86   37.217  1440.67   53.932  1330.30   51.424  460.661   8.6394  442.670   8.5724 17.99057 12.17072 
1 1 1  -13   10   29 o  340.661   10.356  788.624   47.810  788.624   47.810   0.0000   0.0000  340.661   10.356  ?   ?       ?      ? 
1 1 1  -13   10   30 o  267.058   5.8144  479.861   19.734  496.564   34.819  471.956   23.953  270.365   9.5035  263.752   6.7016 6.613373 11.62875 
1 1 1  -13   10   31 o  292.359   6.0005  577.686   22.287  588.154   39.198  572.685   27.093  294.200   9.8318  290.519   6.8817 3.681152 12.00093 
1 1 1  -13   10   32 o  156.144   6.3128  165.403   13.358   0.0000   0.0000  165.403   13.358  ?   ?   156.144   6.3128      ?      ? 
1 1 1  -13   10   33 o  162.953   4.6161  180.279   10.167  178.609   14.889  181.738   13.917  162.237   6.7722  163.669   6.2746 -1.432266 9.232163 
1 1 1  -13   10   34 o   90.760   5.6350   54.697   6.8302   69.878   10.494   43.540   8.9964  101.452   7.6332   80.068   8.2915 21.38468 11.27006 
1 1 1  -13   10   35 o  228.660   4.6735  355.198   14.462  335.307   20.505  374.887   20.401  222.272   6.8076  235.047   6.4049 -12.77486 9.347001 
1 1 1  -13   10   36 o  227.536   4.7003  350.636   14.474  365.609   21.140  337.421   19.860  232.095   6.7213  222.977   6.5724 9.118347 9.400643 
1 1 1  -13   10   37 o  235.760   6.7631  377.281   21.607  377.281   21.607   0.0000   0.0000  235.760   6.7631  ?   ?       ?      ? 
1 1 1  -13   10   38 o  147.167   6.2257  148.941   11.575  152.141   14.108  142.353   20.243  149.700   6.9546  144.633   10.328 5.066422 12.45145 
1 1 1  -13   10   39 o  236.503   4.7870  378.974   15.327  399.802   22.250  360.165   21.143  242.676   6.7657  230.331   6.7739 12.34424 9.573989 
1 1 1  -13   10   40 f  297.194   6.0087  598.312   23.246  593.052   29.022  607.728   38.826  295.507   7.2474  298.882   9.5861 -3.375336 12.01740 
1 1 1  -13   10   41 o  354.287   10.751  854.995   51.618  854.995   51.618   0.0000   0.0000  354.287   10.751  ?   ?       ?      ? 
1 1 1  -13   10   42 o  258.986   4.8922  454.782   17.151  470.418   24.984  440.846   23.586  263.182   7.0052  254.790   6.8310 8.391693 9.784424 
1 1 1  -13   10   43 f  170.249   4.7626  196.456   10.966  202.598   16.114  191.158   14.967  172.714   6.8847  167.784   6.5826 4.929855 9.525278 
1 1 1  -13   10   44 o  207.413   4.7216  291.857   13.257  298.579   19.280  285.827   18.258  209.669   6.7855  205.158   6.5674 4.510651 9.443183 
1 1 1  -13   10   45 o  170.456   4.7657  198.164   10.958  178.801   15.644  216.814   15.353  162.223   7.1164  178.688   6.3406 -16.46445 9.531307 
1 1 1  -13   10   46 o  145.819   4.8534  144.824   9.5611  138.620   13.890  150.412   13.181  142.825   7.1765  148.813   6.5361 -5.988007 9.706843 
1 1 1  -13   10   47 o  216.756   4.7834  319.826   14.015  294.924   19.880  344.430   19.761  208.328   7.0419  225.185   6.4756 -16.85722 9.566739 
1 1 1  -13   10   48 o  233.896   5.9422  372.729   17.549  371.031   31.045  373.527   21.275  233.320   9.8187  234.471   6.6957 -1.151413 11.88441 
1 1 1  -13   10   49 o  174.921   6.6019  205.866   15.514  228.002   23.929  189.814   20.377  182.898   9.6546  166.944   9.0071 15.95412 13.20380 
1 1 1  -13   10   50 o  166.813   5.5316  184.789   12.214  169.770   15.438  209.921   19.970  158.019   7.2092  175.607   8.3919 -17.58824 11.06329 
1 1 1  -13   10   51 o  159.828   4.9008  171.394   10.538  202.256   15.903  147.232   14.071  172.499   6.8032  147.158   7.0561 25.34061 9.801678 
1 1 1  -13   10   52 o  228.837   4.8553  356.369   15.041  343.966   21.501  368.255   21.049  224.912   7.0543  232.761   6.6732 -7.848831 9.710587 
1 1 1  -13   10   53 o  172.805   4.9559  203.332   11.563  199.755   17.014  206.404   15.763  171.361   7.3266  174.248   6.6758 -2.887146 9.911846 
1 1 1  -13   10   54 o  246.940   6.2379  419.956   19.779  429.655   24.505  401.829   33.501  251.318   7.1953  242.562   10.192 8.756119 12.47586 
1 1 1  -13   10   55 o  195.464   7.2243  260.562   19.119  275.057   27.684  247.346   26.435  200.658   10.181  190.271   10.252 10.38702 14.44869 
1 1 1  -13   10   56 o  297.838   7.6235  606.560   30.756  614.448   44.255  599.191   42.774  299.680   10.897  295.996   10.664 3.683533 15.24693 
1 1 1  -13   10   57 o  209.732   7.3133  301.046   20.765  289.097   29.589  312.642   29.148  205.576   10.621  213.889   10.056 -8.312958 14.62668 
1 1 1  -13   10   58 o  264.369   7.4243  475.867   26.598  475.867   26.598   0.0000   0.0000  264.369   7.4243  ?   ?       ?      ? 
1 1 1  -13   10   59 o  127.358   5.4874  108.756   9.3923  129.209   14.310   93.275   12.449  137.719   7.6675  116.997   7.8521 20.72210 10.97483 
1 1 1  -13   10   60 o  158.688   5.1072  171.653   10.952  169.165   16.032  173.830   14.997  157.577   7.5080  159.800   6.9255 -2.223083 10.21433 
1 1 1  -13   10   61 o  185.120   4.9522  233.328   12.406  234.156   18.038  232.585   17.090  185.408   7.1794  184.832   6.8230 0.5757904 9.904396 
1 1 1  -13   10   62 o   72.987   7.3660   37.060   7.1629   32.747   10.757   40.496   9.6011   69.021   11.501   76.952   9.2070 -7.930878 14.73202 
1 1 1  -13   10   63 o  135.893   5.4223  127.392   9.8730  111.110   14.412  141.789   13.552  127.535   8.3392  144.251   6.9328 -16.71620 10.84461 
1 1 1  -13   10   64 o   82.724   9.4738   54.295   8.8137   35.756   16.092   62.239   10.534   70.007   17.108   95.440   8.1450 -25.43266 18.94768 
1 1 1  -13   10   65 o   67.280   8.0753   31.968   7.1090   29.628   10.635   33.858   9.5585   64.361   12.644   70.200   10.048 -5.839020 16.15051 
1 1 1  -13   10   66 o   75.714   7.2755   40.148   7.3285   34.260   10.894   45.016   9.9047   70.416   11.416   81.011   9.0222 -10.59522 14.55100 
1 1 1  -13   10   67 o   93.327   6.2354   59.332   7.8565   66.105   11.698   53.768   10.604   98.146   8.7957   88.509   8.8406 9.636482 12.47078 
1 1 1  -13   10   68 o  134.641   5.3503  124.475   9.7321  115.783   13.950  132.715   13.584  129.982   7.9197  139.300   7.1959 -9.317078 10.70059 
1 1 1  -13   10   69 o   77.210   10.250   41.240   10.725   41.240   10.725   0.0000   0.0000   77.210   10.250  ?   ?       ?      ? 
1 1 1  -13   10   70 o  100.267   7.0117   70.836   9.2783   76.329   12.141   63.122   14.386  105.305   8.5077   95.230   11.148 10.07474 14.02337 
1 1 1  -13   10   71 o   23.931   7.7115  -5.8608   5.7605 -12.8994   8.8977  -0.7818   7.5583   21.523   10.357   26.340   11.428 -4.817728 15.42295 
1 1 1  -13   10   72 o   82.207   6.5937   46.682   7.3157   48.627   10.931   45.105   9.8462   83.688   9.6382   80.725   9.0007 2.963425 13.18744 
1 1 1  -13   10   73 o  108.902   5.6931   81.816   8.3759   82.752   12.367   81.023   11.385  109.403   8.3417  108.402   7.7500 1.000725 11.38619 
1 1 1  -13   10   74 o  119.959   5.5484   99.371   8.9979  100.420   13.218   98.465   12.284  120.473   8.0962  119.444   7.5889 1.028259 11.09684 
1 1 1  -13   10   75 o  120.973   6.7583  101.318   10.168  105.072   18.608   99.720   12.142  121.811   11.273  120.134   7.4581 1.676254 13.51661 
1 1 1  -13   10   76 o   99.790   5.9588   68.333   7.9993   79.328   12.193   60.025   10.599  106.734   8.4299   92.846   8.4241 13.88816 11.91762 
1 1 1  -13   10   77 o   52.995   10.309   20.597   7.1950   23.783   13.063   19.210   8.6203   55.384   16.308   50.605   12.615 4.779484 20.61714 
1 1 1  -13   10   78 o   90.552   7.4743   57.021   8.5620   62.603   15.374   54.512   10.309   92.933   12.208   88.171   8.6276 4.761696 14.94859 
1 1 1  -13   10   79 o  102.743   6.9120   72.880   9.0033   81.238   16.160   69.117   10.842  106.122   11.237   99.364   8.0519 6.758339 13.82391 
1 1 1  -13   10   80 o   48.866   8.6680   20.069   7.1236  -1.3337   12.406   30.598   8.7010   32.257   14.296   65.474   9.8067 -33.21627 17.33596 
1 1 1  -13   10   81 o   86.486   10.166   55.481   11.291   38.375   14.709   80.021   17.618   69.047   16.029  103.926   12.510 -34.87917 20.33260 
1 1 1  -13   10   82 o   31.929   10.117  -2.0206   8.8567  -2.2125   11.395  -1.7277   14.077   30.213   13.525   33.646   15.049 -3.432875 20.23332 
1 1 1  -13   10   83 o   43.098   11.623   12.968   9.5695   16.226   12.283   7.9375   15.264   45.770   16.036   40.427   16.830 5.342762 23.24598 
1 1 1  -13   10   84 o  117.896   11.106  102.432   17.744  102.432   17.744   0.0000   0.0000  117.896   11.106  ?   ?       ?      ? 
1 1 1  -13   10   85 o   73.805   14.932   43.978   14.422   43.978   14.422   0.0000   0.0000   73.805   14.932  ?   ?       ?      ? 
1 1 1  -13   10   86 o   41.509   15.689   12.505   12.079   12.505   12.079   0.0000   0.0000   41.509   15.689  ?   ?       ?      ? 
1 1 1  -13   10   87 o   52.929   16.196   23.890   12.702   23.890   12.702   0.0000   0.0000   52.929   16.196  ?   ?       ?      ? 
1 1 1  -13   10   88 o   90.957   12.437   63.667   15.330   63.667   15.330   0.0000   0.0000   90.957   12.437  ?   ?       ?      ? 
1 1 1  -13   11    1 f  316.055   5.0434  677.443   21.590  672.245   30.019  683.013   31.075  314.805   7.0367  317.306   7.2269 -2.501373 10.08680 
1 1 1  -13   11    2 o  261.501   4.7193  464.089   16.713  480.506   23.542  447.407   23.731  266.173   6.5267  256.830   6.8184 9.342255 9.438602 
1 1 1  -13   11    3 o  274.070   4.7923  509.143   17.789  499.605   24.686  519.447   25.658  271.405   6.7119  276.736   6.8420 -5.331543 9.584504 
1 1 1  -13   11    4 o  405.056   5.6948  1111.51   31.232  1070.12   43.087  1157.33   45.336  397.127   8.0063  412.984   8.1008 -15.85782 11.38962 
1 1 1  -13   11    5 o  509.928   6.5976  1763.43   45.567  1836.79   65.633  1695.16   63.312  520.157   9.3112  499.698   9.3496 20.45901 13.19523 
1 1 1  -13   11    6 o  663.412   11.383  2990.66  102.336   0.0000   0.0000  2990.66  102.336  ?   ?   663.412   11.383      ?      ? 
1 1 1  -13   11    7 o  695.302   11.814  3285.81  111.319   0.0000   0.0000  3285.81  111.319  ?   ?   695.302   11.814      ?      ? 
1 1 1  -13   11    8 o  468.751   6.2456  1490.87   39.664  1468.04   55.378  1514.92   56.838  465.071   8.7868  472.431   8.8781 -7.359589 12.49118 
1 1 1  -13   11    9 o  410.573   8.1085  1143.85   45.114  1143.85   45.114   0.0000   0.0000  410.573   8.1085  ?   ?       ?      ? 
1 1 1  -13   11   10 o  264.469   5.8143  481.484   20.247  506.777   26.138  443.540   32.015  273.331   7.0567  255.607   9.2426 17.72369 11.62853 
1 1 1  -13   11   11 o  261.348   5.7602  468.567   19.804  486.157   25.413  441.364   31.603  267.714   7.0049  254.983   9.1462 12.73091 11.52047 
1 1 1  -13   11   12 o  327.833   5.7657  728.544   22.669  727.650   26.476  730.998   43.880  327.573   5.9643  328.093   9.8692 -0.5202942 11.53148 
1 1 1  -13   11   13 o  269.654   5.8646  502.837   20.808  539.016   26.999  449.914   32.654  281.885   7.0678  257.423   9.3607 24.46277 11.72930 
1 1 1  -13   11   14 o  238.944   5.1658  388.462   15.059  389.931   17.795  384.754   28.266  239.808   5.4759  238.080   8.7612 1.728271 10.33168 
1 1 1  -13   11   15 o  321.350   5.7052  699.640   22.090  698.285   25.864  703.294   42.465  320.890   5.9479  321.810   9.7375 -0.9200745 11.41035 
1 1 1  -13   11   16 o  264.581   5.3335  479.760   17.160  485.986   20.283  464.083   32.186  267.713   5.5908  261.448   9.0844 6.265778 10.66691 
1 1 1  -13   11   17 o   98.521   6.4490   65.835   8.6100   65.835   8.6100   0.0000   0.0000   98.521   6.4490  ?   ?       ?      ? 
1 1 1  -13   11   18 o  108.931   7.3588   80.511   10.863   80.511   10.863   0.0000   0.0000  108.931   7.3588  ?   ?       ?      ? 
1 1 1  -13   11   19 o  149.345   5.3919  151.760   10.663  153.308   13.733  149.410   16.922  150.331   6.7412  148.358   8.4171 1.972916 10.78385 
1 1 1  -13   11   20 o  219.915   5.3912  324.708   15.553  314.796   19.530  341.893   25.715  215.415   6.6902  224.415   8.4557 -8.999634 10.78231 
1 1 1  -13   11   21 o  276.754   5.7181  512.729   20.563  495.591   25.470  544.808   34.847  270.269   6.9543  283.239   9.0788 -12.96985 11.43624 
1 1 1  -13   11   22 o  313.090   6.0834  672.425   24.802  691.483   31.282  640.163   40.701  319.221   7.2313  306.958   9.7846 12.26328 12.16673 
1 1 1  -13   11   23 o  265.377   5.6874  477.334   19.691  475.332   24.683  480.839   32.656  264.680   6.8818  266.074   9.0568 -1.393921 11.37475 
1 1 1  -13   11   24 o  207.644   5.4916  298.054   14.973  317.480   19.323  268.861   23.687  216.320   6.5917  198.967   8.7852 17.35274 10.98322 
1 1 1  -13   11   25 o  164.984   4.9474  182.173   10.262  178.063   12.320  191.490   18.548  162.031   5.6107  167.937   8.1503 -5.906433 9.894841 
1 1 1  -13   11   26 o   88.952   5.8754   54.839   6.7501   57.716   8.4879   49.888   11.134   92.225   6.7915   85.679   9.5895 6.545990 11.75084 
1 1 1  -13   11   27 o  188.757   5.0828  247.247   11.945  256.221   14.445  227.839   21.243  194.363   5.4844  183.150   8.5592 11.21268 10.16558 
1 1 1  -13   11   28 o  227.446   5.0683  340.328   14.189  326.277   16.691  376.929   26.939  219.321   5.6160  235.570   8.4387 -16.24890 10.13666 
1 1 1  -13   11   29 o  297.314   10.256  601.191   41.321  601.191   41.321   0.0000   0.0000  297.314   10.256  ?   ?       ?      ? 
1 1 1  -13   11   30 o  263.518   6.0340  474.112   19.935  465.604   35.615  477.993   24.057  261.651   10.044  265.384   6.6892 -3.732941 12.06793 
1 1 1  -13   11   31 o  196.999   4.6081  263.509   12.284  260.871   17.805  265.904   16.970  196.049   6.7020  197.949   6.3262 -1.900620 9.216202 
1 1 1  -13   11   32 o  248.718   4.7465  419.179   15.979  433.978   23.305  406.049   21.950  252.848   6.8015  244.589   6.6225 8.259750 9.492989 
1 1 1  -13   11   33 o  236.936   4.7096  380.776   15.106  387.148   21.943  375.036   20.826  238.810   6.7805  235.061   6.5380 3.749680 9.419135 
1 1 1  -13   11   34 o  245.345   4.7841  408.699   15.896  407.242   22.876  410.059   22.103  244.913   6.8927  245.777   6.6364 -0.8636017 9.568231 
1 1 1  -13   11   35 o  355.795   6.5554  870.137   30.277  894.404   38.033  828.143   50.030  362.844   7.7349  348.746   10.586 14.09811 13.11086 
1 1 1  -13   11   36 o  312.418   10.240  664.497   43.353  664.497   43.353   0.0000   0.0000  312.418   10.240  ?   ?       ?      ? 
1 1 1  -13   11   37 o  193.422   4.7538  251.587   12.399  281.363   18.672  228.101   16.583  203.558   6.7690  183.287   6.6764 20.27129 9.507547 
1 1 1  -13   11   38 o  286.267   4.9830  556.912   19.318  535.985   27.393  577.616   27.247  280.899   7.1963  291.634   6.8944 -10.73520 9.965961 
1 1 1  -13   11   39 o  163.476   4.7534  179.943   10.485  201.170   15.693  162.824   14.093  172.111   6.7284  154.841   6.7162 17.26933 9.506743 
1 1 1  -13   11   40 o   85.815   6.1064   48.432   6.9389   66.091   10.874   36.303   9.0121   98.592   8.1392   73.039   9.1053 25.55293 12.21278 
1 1 1  -13   11   41 o  212.286   4.7485  304.345   13.621  333.991   20.156  279.424   18.480  221.747   6.7074  202.824   6.7235 18.92274 9.497095 
1 1 1  -13   11   42 o  242.221   6.9567  398.624   22.835  398.624   22.835   0.0000   0.0000  242.221   6.9567  ?   ?       ?      ? 
1 1 1  -13   11   43 o  154.883   4.8578  162.416   10.158  169.336   15.151  156.767   13.690  157.855   7.0829  151.911   6.6503 5.944931 9.715666 
1 1 1  -13   11   44 o  242.722   6.9601  400.358   22.893  400.358   22.893   0.0000   0.0000  242.722   6.9601  ?   ?       ?      ? 
1 1 1  -13   11   45 o  118.448   6.1357   96.370   9.6826  100.768   12.758   90.395   14.870  121.722   7.7346  115.175   9.5271 6.547287 12.27145 
1 1 1  -13   11   46 o  192.370   6.7557  255.662   17.362  214.408   25.174  293.086   23.977  177.253   10.480  207.488   8.5274 -30.23541 13.51132 
1 1 1  -13   11   47 o  192.073   9.9426  251.639   25.879  251.639   25.879   0.0000   0.0000  192.073   9.9426  ?   ?       ?      ? 
1 1 1  -13   11   48 o  174.088   4.8337  204.763   11.367  223.234   16.898  189.496   15.363  181.211   6.8814  166.965   6.7900 14.24666 9.667365 
1 1 1  -13   11   49 o  142.310   5.0515  137.805   9.6985  136.928   14.387  138.535   13.131  141.870   7.4832  142.751   6.7878 -0.8814545 10.10303 
1 1 1  -13   11   50 o  156.178   4.9659  166.640   10.455  156.251   15.278  175.791   14.338  151.543   7.4397  160.812   6.5795 -9.268829 9.931706 
1 1 1  -13   11   51 o  179.512   4.9135  218.831   11.930  224.202   17.508  214.177   16.298  181.549   7.1166  177.476   6.7767 4.072983 9.827004 
1 1 1  -13   11   52 o  279.834   6.4064  541.693   22.993  558.935   28.524  509.708   38.851  286.595   7.3445  273.073   10.499 13.52301 12.81274 
1 1 1  -13   11   53 o  180.853   5.1110  219.427   12.436  256.364   18.890  191.172   16.522  194.101   7.1816  167.605   7.2742 26.49602 10.22203 
1 1 1  -13   11   54 o  136.269   6.9262  135.660   11.337  106.727   20.390  148.609   13.640  124.733   12.063  147.805   6.8099 -23.07197 13.85232 
1 1 1  -13   11   55 o  177.139   6.2119  216.760   13.755  206.948   24.508  221.271   16.619  173.935   10.398  180.343   6.8000 -6.408325 12.42380 
1 1 1  -13   11   56 f  156.670   5.1651  168.258   10.889  153.777   15.905  181.032   14.939  150.227   7.8126  163.113   6.7583 -12.88525 10.33015 
1 1 1  -13   11   57 o  207.362   4.9985  293.376   14.012  281.313   20.266  304.424   19.395  203.228   7.3586  211.496   6.7670 -8.268158 9.997040 
1 1 1  -13   11   58 o  136.113   5.4201  126.437   9.9577  124.484   14.691  128.097   13.543  135.101   8.0244  137.126   7.2883 -2.024811 10.84022 
1 1 1  -13   11   59 o  223.696   5.0309  341.761   15.212  321.866   21.842  360.502   21.199  217.305   7.4173  230.087   6.7990 -12.78194 10.06190 
1 1 1  -13   11   60 o  241.690   5.0911  397.516   16.635  407.203   24.507  389.240   22.652  244.375   7.4004  239.004   6.9938 5.370407 10.18229 
1 1 1  -13   11   61 o  179.689   6.2956  220.333   14.157  222.503   25.532  219.370   17.011  179.990   10.468  179.388   6.9976 0.6028290 12.59123 
1 1 1  -13   11   62 o  130.484   8.0254  117.632   14.146  107.415   20.058  127.742   19.953  124.730   11.867  136.238   10.808 -11.50720 16.05088 
1 1 1  -13   11   63 f  103.231   7.7489   72.800   10.320   71.293   12.717   75.705   17.659  101.945   9.2055  104.518   12.468 -2.572845 15.49784 
1 1 1  -13   11   64 o  166.032   5.0925  187.772   11.416  194.634   17.000  182.136   15.408  168.742   7.4344  163.323   6.9615 5.419250 10.18492 
1 1 1  -13   11   65 o   56.644   9.1896   22.566   6.8280   27.649   10.777   19.157   8.8256   61.829   13.260   51.459   12.727 10.37024 18.37920 
1 1 1  -13   11   66 o  139.562   5.3788  134.761   10.068  117.801   14.636  149.994   13.871  131.010   8.2442  148.113   6.9108 -17.10313 10.75758 
1 1 1  -13   11   67 o  149.372   7.7272  153.062   15.641  153.062   15.641   0.0000   0.0000  149.372   7.7272  ?   ?       ?      ? 
1 1 1  -13   11   68 o  211.257   5.9277  306.755   16.446  305.252   20.822  309.249   26.816  210.979   7.2827  211.535   9.3547 -0.5557709 11.85532 
1 1 1  -13   11   69 o   82.142   6.8320   47.425   7.4800   42.193   11.234   51.592   10.025   77.814   10.654   86.470   8.5554 -8.656647 13.66391 
1 1 1  -13   11   70 o  137.644   5.2466  130.254   9.7633  131.214   14.328  129.421   13.340  138.051   7.6587  137.238   7.1730 0.8128357 10.49323 
1 1 1  -13   11   71 o   94.773   6.0159   61.759   7.6957   67.149   11.527   57.425   10.336   98.446   8.6407   91.101   8.3726 7.345795 12.03177 
1 1 1  -13   11   72 o   67.696   8.1246   34.382   6.9704   24.152   10.370   42.812   9.4143   56.916   13.626   78.476   8.8526 -21.55999 16.24930 
1 1 1  -13   11   73 o  120.901   6.9033  103.110   10.239  100.852   18.882  104.050   12.187  119.074   11.702  122.729   7.3275 -3.655121 13.80652 
1 1 1  -13   11   74 o   52.809   10.319   22.154   7.4005   16.018   14.057   24.507   8.7044   47.881   17.117   57.737   11.529 -9.855942 20.63765 
1 1 1  -13   11   75 o   71.144   9.4053   39.162   8.0064   33.312   14.488   41.734   9.6064   65.211   16.409   77.076   9.1973 -11.86523 18.81054 
1 1 1  -13   11   76 o   70.475   9.5835   41.884   8.0730   25.768   14.302   49.421   9.7802   57.006   17.130   83.943   8.5977 -26.93641 19.16691 
1 1 1  -13   11   77 o   35.604   9.8816   4.1063   6.5606   13.762   12.254   0.2262   7.7676   44.171   15.959   27.037   11.658 17.13416 19.76328 
1 1 1  -13   11   78 o   47.699   10.204   17.953   6.9715   14.461   12.849   19.410   8.2992   44.880   16.322   50.518   12.250 -5.638184 20.40770 
1 1 1  -13   11   79 o   71.034   10.869   40.369   10.419   50.585   14.537   29.576   14.942   82.311   13.033   59.756   17.397 22.55558 21.73719 
1 1 1  -13   11   80 o   51.486   11.860   20.011   9.6978   12.568   12.667   30.552   15.075   42.594   16.074   60.377   17.444 -17.78339 23.72050 
1 1 1  -13   11   81 o   31.477   9.9730  -2.3347   8.8887   1.7881   11.531  -8.3728   13.954   32.840   14.181   30.114   14.026 2.725676 19.94597 
1 1 1  -13   11   82 o   41.557   10.895   10.848   9.2029   20.405   12.051  -2.5208   14.254   49.988   15.851   33.126   14.952 16.86243 21.79031 
1 1 1  -13   11   83 o   87.224   12.832   57.874   15.168   57.874   15.168   0.0000   0.0000   87.224   12.832  ?   ?       ?      ? 
1 1 1  -13   11   84 o   33.868   14.539   3.1291   11.982   3.1291   11.982   0.0000   0.0000   33.868   14.539  ?   ?       ?      ? 
1 1 1  -13   11   85 o   42.082   15.841   13.244   12.285   13.244   12.285   0.0000   0.0000   42.082   15.841  ?   ?       ?      ? 
1 1 1  -13   11   86 o   57.070   16.402   28.287   13.359   28.287   13.359   0.0000   0.0000   57.070   16.402  ?   ?       ?      ? 
1 1 1  -13   11   87 o   58.906   16.152   30.313   13.279   30.313   13.279   0.0000   0.0000   58.906   16.152  ?   ?       ?      ? 
1 1 1  -13   12    1 o  370.706   5.4686  928.177   27.399  865.938   37.155  1002.36   40.565  357.158   7.6768  384.253   7.7903 -27.09497 10.93715 
1 1 1  -13   12    2 o  492.505   6.4566  1646.32   43.069  1721.97   61.900  1575.33   59.963  503.470   9.0726  481.541   9.1890 21.92993 12.91318 
1 1 1  -13   12    3 o  371.423   5.4568  936.449   27.455  971.938   39.027  901.681   38.629  378.398   7.6109  364.447   7.8217 13.95132 10.91354 
1 1 1  -13   12    4 o  128.506   4.8254  111.515   8.3826  102.677   11.419  121.841   12.344  123.011   6.8504  134.001   6.7978 -10.99007 9.650824 
1 1 1  -13   12    5 o  381.512   6.9445  990.787   33.641  984.488   58.865  993.843   40.996  380.410   11.419  382.615   7.9066 -2.204620 13.88898 
1 1 1  -13   12    6 o  232.433   6.0625  373.622   17.718  348.486   31.055  385.752   21.574  226.427   10.121  238.439   6.6768 -12.01233 12.12499 
1 1 1  -13   12    7 o  237.770   5.9951  384.499   17.954  382.319   31.908  385.509   21.719  237.178   9.9276  238.362   6.7238 -1.183853 11.99028 
1 1 1  -13   12    8 o  391.033   5.6090  1037.88   29.714  1030.26   41.474  1045.91   42.592  389.567   7.8562  392.500   8.0077 -2.932648 11.21798 
1 1 1  -13   12    9 o  133.879   4.8051  121.729   8.7039  123.844   12.039  119.414   12.599  135.104   6.5755  132.654   7.0085 2.450592 9.610209 
1 1 1  -13   12   10 o  366.864   6.6765  930.639   32.068  984.350   41.106  847.129   51.256  380.774   7.9663  352.955   10.716 27.81934 13.35297 
1 1 1  -13   12   11 o  476.551   7.2187  1558.06   40.945  1574.01   47.762  1513.86   79.521  481.572   7.3188  471.530   12.445 10.04257 14.43747 
1 1 1  -13   12   12 o  383.699   6.2746  986.024   28.525  971.523   32.987  1029.02   56.799  378.412   6.4327  388.987   10.775 -10.57504 12.54922 
1 1 1  -13   12   13 o  285.592   5.5725  565.490   19.153  580.083   22.574  527.997   36.184  292.444   5.6962  278.741   9.5793 13.70322 11.14495 
1 1 1  -13   12   14 o  279.153   5.6629  528.555   21.422  528.555   21.422   0.0000   0.0000  279.153   5.6629  ?   ?       ?      ? 
1 1 1  -13   12   15 o  203.322   5.1735  276.619   12.662  272.064   14.766  289.274   24.613  200.285   5.4404  206.360   8.8013 -6.075363 10.34705 
1 1 1  -13   12   16 o  391.810   6.4540  1068.27   30.461  1100.11   35.965  987.459   57.297  402.649   6.5913  380.970   11.098 21.67993 12.90806 
1 1 1  -13   12   17 o  306.598   5.5973  623.558   20.541  607.594   23.826  669.769   40.537  299.279   5.8749  313.918   9.5291 -14.63983 11.19452 
1 1 1  -13   12   18 o  160.321   5.6637  177.480   12.070  194.521   16.104  155.633   18.234  169.292   7.0195  151.349   8.8903 17.94281 11.32750 
1 1 1  -13   12   19 o  324.751   5.7740  709.561   22.513  701.943   26.250  730.747   43.776  321.660   6.0221  327.842   9.8533 -6.182251 11.54791 
1 1 1  -13   12   20 o  193.114   5.1412  258.306   12.215  265.888   14.616  240.745   22.245  197.989   5.4475  188.238   8.7207 9.750458 10.28232 
1 1 1  -13   12   21 o  198.021   5.1905  273.577   12.617  284.494   15.119  248.528   22.901  204.797   5.4477  191.244   8.8367 13.55286 10.38097 
1 1 1  -13   12   22 o  231.334   5.1515  358.365   14.587  351.961   17.183  374.882   27.595  227.781   5.5669  234.887   8.6695 -7.105255 10.30294 
1 1 1  -13   12   23 o  285.938   5.6412  575.032   19.645  603.104   23.478  509.491   35.873  298.152   5.8108  273.724   9.6711 24.42850 11.28249 
1 1 1  -13   12   24 o  198.184   5.1680  271.797   12.653  279.580   15.181  254.087   22.900  203.010   5.5184  193.359   8.7396 9.651001 10.33600 
1 1 1  -13   12   25 f  189.309   5.0571  239.498   11.939  233.774   14.236  253.075   21.923  185.627   5.6592  192.990   8.3828 -7.362595 10.11423 
1 1 1  -13   12   26 o  350.943   6.4530  828.571   29.478  806.686   36.653  868.651   49.603  344.607   7.8488  357.279   10.245 -12.67169 12.90606 
1 1 1  -13   12   27 o  303.567   6.0730  617.496   24.133  593.628   30.160  659.973   40.235  295.638   7.5281  311.496   9.5317 -15.85815 12.14603 
1 1 1  -13   12   28 o  226.465   5.1447  335.470   14.292  319.385   16.752  378.495   27.397  216.958   5.6977  235.973   8.5677 -19.01505 10.28933 
1 1 1  -13   12   29 o  232.717   5.3282  372.917   15.266  380.236   18.227  355.719   27.941  236.721   5.6821  228.712   9.0152 8.008759 10.65645 
1 1 1  -13   12   30 o  225.695   5.3436  353.740   14.909  365.666   17.923  326.946   26.865  232.136   5.6975  219.254   9.0417 12.88206 10.68715 
1 1 1  -13   12   31 o  204.739   6.3450  284.451   17.556  293.577   25.959  276.759   23.833  207.737   9.2214  201.742   8.7177 5.995056 12.68991 
1 1 1  -13   12   32 o  150.270   6.4377  153.049   13.034  158.743   19.660  148.583   17.410  152.728   9.4989  147.812   8.6918 4.915665 12.87543 
1 1 1  -13   12   33 o  206.199   5.8622  283.440   15.431  272.893   18.727  305.753   27.238  200.449   6.8940  211.949   9.4833 -11.50031 11.72432 
1 1 1  -13   12   34 o  314.329   7.3477  671.323   31.298  671.323   31.298   0.0000   0.0000  314.329   7.3477  ?   ?       ?      ? 
1 1 1  -13   12   35 o  121.849   5.0700   99.884   8.3277  111.090   12.584   91.152   11.108  127.865   7.2626  115.832   7.0764 12.03302 10.14009 
1 1 1  -13   12   36 o  149.624   4.8218  152.462   9.7314  147.634   14.341  156.583   13.249  147.402   7.1794  151.846   6.4385 -4.443939 9.643529 
1 1 1  -13   12   37 o  129.146   4.9701  113.018   8.6582  116.422   12.959  110.274   11.637  130.883   7.3063  127.410   6.7398 3.473808 9.940161 
1 1 1  -13   12   38 o  180.722   4.7551  222.135   11.616  218.018   16.954  225.777   15.947  179.123   6.9844  182.320   6.4545 -3.197418 9.510137 
1 1 1  -13   12   39 f  238.064   6.9451  385.125   22.405  385.125   22.405   0.0000   0.0000  238.064   6.9451  ?   ?       ?      ? 
1 1 1  -13   12   40 o  156.345   5.9002  171.338   12.105  194.681   16.011  140.196   18.494  169.250   6.9810  143.441   9.5141 25.80919 11.80048 
1 1 1  -13   12   41 o  304.988   6.2196  642.156   24.760  668.529   31.449  599.149   40.160  313.560   7.4011  296.416   9.9979 17.14429 12.43922 
1 1 1  -13   12   42 o  440.034   7.4077  1333.37   42.257  1363.89   52.929  1279.71   70.174  447.528   8.7275  432.540   11.972 14.98740 14.81544 
1 1 1  -13   12   43 o  267.066   7.2418  485.003   26.209  485.003   26.209   0.0000   0.0000  267.066   7.2418  ?   ?       ?      ? 
1 1 1  -13   12   44 o  276.764   10.363  522.934   38.868  522.934   38.868   0.0000   0.0000  276.764   10.363  ?   ?       ?      ? 
1 1 1  -13   12   45 o  234.122   4.9438  371.631   15.642  386.724   23.158  358.968   21.212  238.459   7.1665  229.784   6.8121 8.675430 9.887534 
1 1 1  -13   12   46 o  132.702   5.2815  120.008   9.4173  118.310   14.222  121.334   12.567  131.827   7.9611  133.577   6.9425 -1.749374 10.56306 
1 1 1  -13   12   47 o  192.195   4.8970  251.539   12.710  247.014   18.674  255.445   17.349  190.550   7.2318  193.839   6.6047 -3.289261 9.793914 
1 1 1  -13   12   48 f  158.458   5.0564  172.351   10.758  150.676   15.557  192.217   14.894  148.771   7.7165  168.144   6.5364 -19.37309 10.11280 
1 1 1  -13   12   49 o  164.885   5.0986  182.098   11.296  217.671   17.174  154.973   14.997  178.867   7.0852  150.902   7.3336 27.96510 10.19716 
1 1 1  -13   12   50 o  103.725   9.1148   75.233   12.550   59.640   18.097   89.679   17.419   93.013   14.358  114.437   11.232 -21.42452 18.22950 
1 1 1  -13   12   51 o   66.923   10.075   34.510   8.0494   24.529   15.544   38.167   9.4092   59.073   17.883   74.772   9.2861 -15.69872 20.15032 
1 1 1  -13   12   52 o   47.998   10.715   15.408   7.0497   14.778   14.535   15.602   8.0614   49.155   17.423   46.840   12.476 2.314621 21.42990 
1 1 1  -13   12   53 o  127.966   5.3359  111.662   9.1864  110.586   13.811  112.516   12.303  127.370   8.0014  128.562   7.0616 -1.191978 10.67185 
1 1 1  -13   12   54 o  150.118   5.1558  155.361   10.360  133.927   15.109  174.376   14.232  140.154   7.9554  160.083   6.5604 -19.92960 10.31153 
1 1 1  -13   12   55 o  108.920   5.8803   83.216   8.4362   66.820   12.629   96.428   11.337   98.850   9.4277  118.990   7.0306 -20.14000 11.76055 
1 1 1  -13   12   56 o  121.277   5.4754   99.795   8.9247  104.254   13.640   96.457   11.801  123.591   8.1444  118.963   7.3203 4.628380 10.95071 
1 1 1  -13   12   57 o   62.289   8.4861   27.857   6.8175   24.437   10.789   30.131   8.7964   58.265   13.865   66.313   9.7887 -8.048225 16.97215 
1 1 1  -13   12   58 o  105.098   5.9137   74.583   8.3432   82.040   12.911   69.237   10.932  109.516   8.6996  100.680   8.0129 8.835510 11.82745 
1 1 1  -13   12   59 o   99.340   8.6785   78.175   9.2989   51.834   17.525   88.497   10.971   84.786   15.835  113.895   7.1080 -29.10904 17.35703 
1 1 1  -13   12   60 o  132.017   6.7273  122.401   10.782  113.328   19.997  126.120   12.803  128.084   11.521  135.950   6.9494 -7.866348 13.45460 
1 1 1  -13   12   61 o   45.702   8.6635   14.933   6.6104  -0.6070   10.297   25.826   8.6215   31.127   13.422   60.278   10.958 -29.15087 17.32700 
1 1 1  -13   12   62 o  105.625   5.8468   76.183   8.2951   78.751   12.685   74.264   10.964  107.102   8.7399  104.149   7.7687 2.953537 11.69351 
1 1 1  -13   12   63 o   47.466   9.4527   16.705   6.5586   10.287   10.343   21.021   8.4818   40.955   14.679   53.977   11.915 -13.02194 18.90545 
1 1 1  -13   12   64 o   93.551   6.5039   59.302   8.1723   68.845   12.604   52.380   10.734   99.915   9.3091   87.188   9.0853 12.72716 13.00778 
1 1 1  -13   12   65 o  115.341   8.6152   91.639   13.466   91.639   13.466   0.0000   0.0000  115.341   8.6152  ?   ?       ?      ? 
1 1 1  -13   12   66 o   87.642   6.9939   53.580   8.1821   51.459   12.560   55.145   10.785   85.933   10.785   89.351   8.9068 -3.418533 13.98774 
1 1 1  -13   12   67 o  121.509   8.1209  103.584   13.364   99.117   18.837  108.110   18.962  118.793   11.701  124.226   11.264 -5.433006 16.24188 
1 1 1  -13   12   68 o  100.088   7.5208   66.670   9.8358   57.969   12.115   83.499   16.848   91.222   9.7999  108.954   11.411 -17.73130 15.04163 
1 1 1  -13   12   69 o   77.161   7.0352   41.363   7.3089   48.435   10.759   35.304   9.9596   83.346   9.5262   70.975   10.355 12.37053 14.07033 
1 1 1  -13   12   70 o  107.656   5.7907   79.654   8.4085   90.578   12.555   70.769   11.323  114.315   8.1047  100.997   8.2730 13.31820 11.58143 
1 1 1  -13   12   71 f   77.807   8.8489   42.527   8.2838   47.820   15.517   40.417   9.7966   79.682   14.919   75.931   9.5208 3.751640 17.69783 
1 1 1  -13   12   72 o  104.643   7.6240   80.620   9.6652   70.806   17.593   84.863   11.567   98.736   13.149  110.551   7.7211 -11.81490 15.24793 
1 1 1  -13   12   73 o  107.714   6.9166   76.722   9.3101   96.200   17.568   69.115   10.979  115.914   11.184   99.514   8.1410 16.40067 13.83318 
1 1 1  -13   12   74 o   83.303   7.8045   44.979   8.2027   64.239   15.433   37.395   9.6838   94.029   12.112   72.576   9.8462 21.45283 15.60890 
1 1 1  -13   12   75 o   95.716   12.532   67.283   16.255   67.283   16.255   0.0000   0.0000   95.716   12.532  ?   ?       ?      ? 
1 1 1  -13   12   76 o   92.844   7.8842   64.638   9.0060   56.852   15.924   68.300   10.920   87.163   13.481   98.525   8.1792 -11.36188 15.76832 
1 1 1  -13   12   77 o   53.318   10.160   23.121   7.3247   19.105   13.099   24.948   8.8350   49.189   16.582   57.447   11.745 -8.257568 20.32073 
1 1 1  -13   12   78 o   60.434   11.834   29.830   9.9292   26.958   13.005   33.844   15.375   57.368   16.081   63.500   17.366 -6.132118 23.66854 
1 1 1  -13   12   79 o   36.467   10.624   5.1178   8.8980   11.289   11.830  -2.9229   13.503   40.743   15.495   32.191   14.540 8.552303 21.24850 
1 1 1  -13   12   80 o   39.216   10.641   7.5271   9.0601   18.581   12.139  -6.3750   13.613   47.951   15.962   30.480   14.077 17.47155 21.28273 
1 1 1  -13   12   81 o   36.731   15.014   6.9776   11.854   6.9776   11.854   0.0000   0.0000   36.731   15.014  ?   ?       ?      ? 
1 1 1  -13   12   82 o   42.404   15.818   13.432   12.197   13.432   12.197   0.0000   0.0000   42.404   15.818  ?   ?       ?      ? 
1 1 1  -13   12   83 o   40.709   15.817   11.636   12.511   11.636   12.511   0.0000   0.0000   40.709   15.817  ?   ?       ?      ? 
1 1 1  -13   12   84 o   53.025   16.653   24.550   13.329   24.550   13.329   0.0000   0.0000   53.025   16.653  ?   ?       ?      ? 
1 1 1  -13   12   85 o   42.217   16.076   13.903   12.743   13.903   12.743   0.0000   0.0000   42.217   16.076  ?   ?       ?      ? 
1 1 1  -13   13    1 o  311.695   6.4949  676.075   25.899  611.476   43.503  711.541   32.233  299.694   10.712  323.695   7.3483 -24.00073 12.98988 
1 1 1  -13   13    2 o  169.344   5.9577  188.301   12.731  212.810   23.210  177.754   15.226  176.880   9.6831  161.808   6.9438 15.07195 11.91549 
1 1 1  -13   13    3 o  240.489   6.8662  392.632   22.377   0.0000   0.0000  392.632   22.377  ?   ?   240.489   6.8662      ?      ? 
1 1 1  -13   13    4 o  386.507   5.6213  1014.95   29.434  1045.81   41.702  984.301   41.551  392.377   7.8427  380.637   8.0554 11.74057 11.24265 
1 1 1  -13   13    5 o  299.219   5.0289  607.138   20.371  591.839   28.069  624.162   29.610  295.249   7.0156  303.188   7.2069 -7.938354 10.05773 
1 1 1  -13   13    6 o  219.693   4.6820  328.110   13.918  341.639   19.438  313.879   19.936  224.360   6.3934  215.026   6.8417 9.334381 9.364021 
1 1 1  -13   13    7 o  206.841   4.7072  287.802   13.132  255.264   17.682  327.822   19.609  193.918   6.7286  219.765   6.5845 -25.84735 9.414346 
1 1 1  -13   13    8 o  298.096   5.0384  602.931   20.339  592.790   28.157  613.995   29.412  295.485   7.0318  300.707   7.2177 -5.222321 10.07679 
1 1 1  -13   13    9 o  373.386   11.707  949.951   59.238   0.0000   0.0000  949.951   59.238  ?   ?   373.386   11.707      ?      ? 
1 1 1  -13   13   10 o  244.726   6.4194  413.066   18.979  420.468   22.374  394.079   35.834  248.884   6.6340  240.568   10.992 8.315704 12.83880 
1 1 1  -13   13   11 o  159.452   5.4755  172.484   11.831  172.484   11.831   0.0000   0.0000  159.452   5.4755  ?   ?       ?      ? 
1 1 1  -13   13   12 o  313.100   5.7171  654.980   21.302  643.280   24.674  689.221   42.212  307.899   5.9137  318.302   9.7862 -10.40295 11.43419 
1 1 1  -13   13   13 o  281.262   5.5834  544.751   18.854  553.545   22.134  521.500   35.990  285.629   5.7184  276.895   9.5915 8.734528 11.16673 
1 1 1  -13   13   14 o  215.732   5.1458  311.762   13.421  306.700   15.692  325.549   25.897  212.622   5.4462  218.843   8.7326 -6.220917 10.29168 
1 1 1  -13   13   15 o   90.222   6.0680   55.879   6.8773   56.833   8.3325   53.841   12.181   91.496   6.7203   88.947   10.106 2.548996 12.13608 
1 1 1  -13   13   16 o  247.772   5.4810  432.192   16.415  452.564   19.516  382.940   30.346  258.269   5.5763  237.276   9.4377 20.99257 10.96194 
1 1 1  -13   13   17 o  316.483   6.1831  663.819   25.392  624.997   31.245  739.320   43.573  303.329   7.6012  329.638   9.7543 -26.30878 12.36630 
1 1 1  -13   13   18 o  174.687   5.2157  213.260   11.169  222.096   13.378  192.925   20.294  180.929   5.4562  168.445   8.8906 12.48390 10.43133 
1 1 1  -13   13   19 o  134.748   5.2967  125.273   8.8800  128.384   10.699  118.386   15.920  137.549   5.7399  131.947   8.9035 5.601547 10.59335 
1 1 1  -13   13   20 o  107.257   5.5346   77.961   7.5501   77.575   9.1964   78.760   13.224  106.902   6.3482  107.612   9.0678 -0.7101746 11.06912 
1 1 1  -13   13   21 o  179.214   5.0941  218.706   11.271  219.512   13.427  216.781   20.739  179.865   5.5085  178.564   8.5705 1.301041 10.18812 
1 1 1  -13   13   22 o  101.982   5.6381   67.211   7.4363   59.963   9.0490   82.289   13.051   93.961   7.1068  110.004   8.7548 -16.04312 11.27620 
1 1 1  -13   13   23 o  249.367   5.7648  415.755   18.923  395.106   23.802  451.225   31.197  241.171   7.2830  257.564   8.9380 -16.39270 11.52957 
1 1 1  -13   13   24 o  234.666   5.8014  378.154   17.999  393.114   23.307  356.051   28.330  240.568   7.1493  228.765   9.1385 11.80298 11.60277 
1 1 1  -13   13   25 o  218.460   5.2382  323.514   14.092  322.479   16.729  326.043   26.150  217.984   5.6631  218.935   8.8139 -0.9507904 10.47637 
1 1 1  -13   13   26 o  130.108   6.5915  115.575   11.562  111.131   17.045  119.362   15.737  127.751   9.8459  132.465   8.7665 -4.714233 13.18309 
1 1 1  -13   13   27 o  201.912   5.6828  280.028   15.123  290.381   19.464  264.257   24.023  206.756   6.9468  197.068   8.9955 9.687881 11.36561 
1 1 1  -13   13   28 o  196.444   5.1058  251.197   12.342  237.183   14.475  288.514   23.621  186.933   5.7143  205.956   8.4632 -19.02307 10.21165 
1 1 1  -13   13   29 o  114.991   5.9151   94.481   8.4092  102.470   10.267   78.203   14.657  122.848   6.1674  107.133   10.095 15.71519 11.83024 
1 1 1  -13   13   30 o  150.255   5.9304  153.274   12.075  153.274   12.075   0.0000   0.0000  150.255   5.9304  ?   ?       ?      ? 
1 1 1  -13   13   31 o  143.118   6.0390  139.077   11.712  139.077   11.712   0.0000   0.0000  143.118   6.0390  ?   ?       ?      ? 
1 1 1  -13   13   32 o  103.048   5.8070   71.870   7.7999   70.916   9.7451   73.570   13.011  102.156   7.0395  103.939   9.2375 -1.783890 11.61408 
1 1 1  -13   13   33 o  149.021   5.2819  149.309   10.046  146.122   12.230  155.919   17.613  146.685   6.1528  151.358   8.5871 -4.673279 10.56385 
1 1 1  -13   13   34 o  261.622   5.9044  474.114   20.158  499.997   25.700  432.726   32.498  271.237   6.9919  252.006   9.5163 19.23055 11.80875 
1 1 1  -13   13   35 o  218.011   5.7107  326.494   16.318  336.335   20.780  310.665   26.356  222.460   6.8931  213.562   9.1069 8.898041 11.42148 
1 1 1  -13   13   36 o  224.259   5.6690  337.373   16.662  324.075   20.857  360.826   27.699  218.344   7.0491  230.173   8.8802 -11.82895 11.33793 
1 1 1  -13   13   37 o  195.007   4.8314  258.458   12.755  258.780   18.457  258.163   17.647  195.110   6.9806  194.904   6.6813 0.2057495 9.662766 
1 1 1  -13   13   38 o  214.958   4.7903  312.450   13.915  337.047   20.629  291.914   18.850  222.674   6.8365  207.242   6.7118 15.43242 9.580537 
1 1 1  -13   13   39 o  111.979   5.4857   83.258   8.2195  103.300   12.766   69.065   10.743  123.218   7.6450  100.740   7.8693 22.47872 10.97141 
1 1 1  -13   13   40 o  104.213   5.6847   73.593   7.9395   76.162   12.258   71.737   10.421  105.739   8.5548  102.686   7.4886 3.053596 11.36939 
1 1 1  -13   13   41 o  200.671   5.9679  263.350   14.752  300.639   28.139  249.218   17.323  209.876   9.8939  191.466   6.6765 18.41057 11.93588 
1 1 1  -13   13   42 o  145.518   10.799  144.763   21.296  144.763   21.296   0.0000   0.0000  145.518   10.799  ?   ?       ?      ? 
1 1 1  -13   13   43 o  143.269   5.0977  138.941   9.8323  145.581   14.916  133.838   13.075  146.254   7.5259  140.283   6.8780 5.971069 10.19538 
1 1 1  -13   13   44 o  201.390   4.9916  275.247   13.577  283.740   20.166  268.205   18.362  204.199   7.2874  198.582   6.8233 5.616516 9.983187 
1 1 1  -13   13   45 o  120.937   5.7134   98.432   9.2402  106.842   14.505   92.687   11.987  125.193   8.5496  116.681   7.5813 8.512329 11.42679 
1 1 1  -13   13   46 o  208.941   10.492  298.581   29.708  298.581   29.708   0.0000   0.0000  208.941   10.492  ?   ?       ?      ? 
1 1 1  -13   13   47 o  310.673   7.5976  660.627   31.986  657.991   45.297  663.248   45.173  310.044   10.781  311.302   10.708 -1.257416 15.19517 
1 1 1  -13   13   48 o  151.289   7.6167  155.256   15.537  177.790   23.216  136.976   20.910  161.159   10.630  141.419   10.911 19.74092 15.23335 
1 1 1  -13   13   49 o  140.422   5.2613  134.636   9.9544  130.962   14.779  137.686   13.468  138.621   7.8673  142.223   6.9879 -3.601440 10.52256 
1 1 1  -13   13   50 o  178.959   4.9950  218.494   12.063  213.004   17.766  223.190   16.431  176.824   7.4141  181.093   6.6954 -4.268906 9.989906 
1 1 1  -13   13   51 o  190.222   7.2787  246.518   18.763  246.518   18.763   0.0000   0.0000  190.222   7.2787  ?   ?       ?      ? 
1 1 1  -13   13   52 o  192.322   4.9610  250.692   12.884  266.659   19.230  237.688   17.355  197.827   7.1732  186.817   6.8551 11.00993 9.922046 
1 1 1  -13   13   53 o  164.723   5.1196  185.769   11.353  176.833   16.809  193.266   15.396  160.999   7.7042  168.447   6.7445 -7.448364 10.23924 
1 1 1  -13   13   54 o  177.752   5.0118  214.697   12.026  223.158   17.941  207.792   16.206  180.886   7.3190  174.618   6.8488 6.267838 10.02363 
1 1 1  -13   13   55 o  164.320   5.0723  184.930   11.222  176.782   16.630  191.742   15.205  160.911   7.6266  167.729   6.6895 -6.817688 10.14463 
1 1 1  -13   13   56 o  110.725   5.7728   84.058   8.5681   82.406   13.044   85.313   11.364  109.685   8.7754  111.765   7.5030 -2.080315 11.54565 
1 1 1  -13   13   57 o   61.308   10.098   21.512   7.6917   44.124   15.289   13.848   8.9001   78.175   14.977   44.441   13.549 33.73409 20.19645 
1 1 1  -13   13   58 o  182.668   5.0697  227.290   12.486  234.859   18.747  221.257   16.739  185.327   7.4646  180.008   6.8620 5.319443 10.13942 
1 1 1  -13   13   59 o  138.025   5.3691  127.078   9.9077  159.078   15.420  104.577   12.930  152.469   7.4630  123.580   7.7209 28.88993 10.73816 
1 1 1  -13   13   60 o  121.869   5.6940  103.489   9.2486   89.328   13.732  115.246   12.512  113.953   8.8923  129.785   7.1142 -15.83175 11.38793 
1 1 1  -13   13   61 o   58.850   8.9892   24.463   6.8923   29.935   10.804   20.707   8.9500   64.320   12.845   53.380   12.579 10.94039 17.97848 
1 1 1  -13   13   62 o  126.403   8.1897  109.911   14.028  109.911   14.028   0.0000   0.0000  126.403   8.1897  ?   ?       ?      ? 
1 1 1  -13   13   63 o  106.774   8.7317   78.703   12.634   78.703   12.634   0.0000   0.0000  106.774   8.7317  ?   ?       ?      ? 
1 1 1  -13   13   64 o   46.948   9.5979   15.905   6.3589   16.853   10.060   15.274   8.2060   48.114   14.347   45.782   12.753 2.332233 19.19574 
1 1 1  -13   13   65 o   98.547   6.1040   68.376   8.0064   57.574   11.797   77.601   10.902   90.967   9.5696  106.128   7.5801 -15.16040 12.20805 
1 1 1  -13   13   66 o   89.522   6.4009   56.784   7.6070   47.476   11.272   64.567   10.308   82.376   10.098   96.667   7.8688 -14.29065 12.80185 
1 1 1  -13   13   67 o   72.818   7.1526   36.281   6.9503   46.525   10.742   28.905   9.1154   81.536   9.7222   64.100   10.494 17.43617 14.30529 
1 1 1  -13   13   68 o  103.769   5.9329   75.077   8.2793   73.352   12.412   76.459   11.113  102.513   8.9348  105.025   7.8080 -2.512421 11.86573 
1 1 1  -13   13   69 o   82.501   9.2646   54.285   8.5712   40.800   16.015   59.698   10.147   72.370   16.673   92.631   8.0833 -20.26133 18.52920 
1 1 1  -13   13   70 o   63.940   10.120   28.965   8.7688   0.0000   0.0000   28.965   8.7688  ?   ?    63.940   10.120      ?      ? 
1 1 1  -13   13   71 o  104.190   7.6334   80.174   9.5692   71.682   17.676   83.695   11.381   98.782   13.204  109.598   7.6631 -10.81606 15.26681 
1 1 1  -13   13   72 o  104.829   7.2750   74.980   9.4355   87.722   17.866   70.052   11.111  109.721   12.016   99.938   8.2046 9.782829 14.55006 
1 1 1  -13   13   73 o   49.523   10.831   14.929   9.5563  -1.4488   12.838   35.283   14.311   32.684   14.511   66.362   16.082 -33.67746 21.66109 
1 1 1  -13   13   74 o   46.238   10.876   13.883   9.4294   28.402   13.056  -1.9469   13.633   59.296   15.915   33.181   14.828 26.11492 21.75220 
1 1 1  -13   13   75 o   36.295   10.791   4.5975   9.0638   7.0094   12.288   1.7196   13.423   37.620   15.321   34.969   15.201 2.650509 21.58239 
1 1 1  -13   13   76 o   51.875   11.306   21.849   9.3653   30.600   12.821   11.838   13.713   61.396   15.428   42.355   16.531 19.04113 22.61207 
1 1 1  -13   13   77 o   40.435   10.986   10.348   8.9080   16.145   11.783   2.6157   13.609   45.437   15.718   35.433   15.354 10.00348 21.97235 
1 1 1  -13   13   78 o   63.577   10.249   29.358   9.8383   9.7322   12.742   58.333   15.482   39.691   15.797   87.463   13.062 -47.77232 20.49797 
1 1 1  -13   13   79 o   46.319   16.204   17.259   12.540   17.259   12.540   0.0000   0.0000   46.319   16.204  ?   ?       ?      ? 
1 1 1  -13   13   80 o   98.831   12.170   74.056   16.300   74.056   16.300   0.0000   0.0000   98.831   12.170  ?   ?       ?      ? 
1 1 1  -13   13   81 o   64.733   15.889   35.508   13.834   35.508   13.834   0.0000   0.0000   64.733   15.889  ?   ?       ?      ? 
1 1 1  -13   13   82 o   62.839   16.292   34.252   13.989   34.252   13.989   0.0000   0.0000   62.839   16.292  ?   ?       ?      ? 
1 1 1  -13   13   83 o   41.693   16.135   13.360   12.978   13.360   12.978   0.0000   0.0000   41.693   16.135  ?   ?       ?      ? 
1 1 1  -13   13   84 o   55.663   16.735   28.253   13.646   28.253   13.646   0.0000   0.0000   55.663   16.735  ?   ?       ?      ? 
1 1 1  -13   14    1 o  168.314   5.2431  187.627   11.765  220.020   18.817  166.835   15.076  179.919   7.7178  156.709   7.0990 23.20966 10.48621 
1 1 1  -13   14    2 o  101.172   5.9797   70.361   8.1098   61.759   11.853   77.933   11.120   95.262   9.1816  107.082   7.6632 -11.82037 11.95936 
1 1 1  -13   14    3 o  110.399   5.2027   82.251   7.7555   76.079   10.445   89.834   11.578  105.818   7.2842  114.980   7.4306 -9.162163 10.40545 
1 1 1  -13   14    4 o  161.779   4.7232  176.685   10.324  162.926   13.975  193.211   15.316  154.889   6.6581  168.669   6.7010 -13.77965 9.446329 
1 1 1  -13   14    5 o  207.618   6.2906  308.499   15.821  330.663   18.980  258.034   28.640  220.681   6.3467  194.555   10.863 26.12621 12.58122 
1 1 1  -13   14    6 o  119.262   6.8526   93.308   9.5406   90.079   10.903  103.864   19.712  115.157   6.9866  123.368   11.791 -8.211349 13.70529 
1 1 1  -13   14    7 o  122.624   4.9709  102.386   8.2299  105.435   11.270   98.902   12.047  124.600   6.6744  120.647   7.3683 3.952400 9.941794 
1 1 1  -13   14    8 o  196.898   4.7208  261.097   12.542  233.330   16.909  295.060   18.700  185.353   6.7317  208.443   6.6203 -23.08971 9.441580 
1 1 1  -13   14    9 f  169.919   4.6960  196.510   10.789  206.777   15.053  185.663   15.472  174.510   6.3654  165.329   6.9060 9.180084 9.392050 
1 1 1  -13   14   10 o  111.811   5.1972   85.563   7.8160   94.680   10.852   75.735   11.267  118.069   6.7826  105.554   7.8765 12.51484 10.39442 
1 1 1  -13   14   11 o  111.507   5.4995   84.666   7.5460   84.878   8.9664   84.150   13.971  111.821   5.9172  111.193   9.2717 0.6277390 10.99893 
1 1 1  -13   14   12 o  175.440   5.1886  210.425   11.035  212.047   13.002  206.248   20.868  176.768   5.4279  174.112   8.8443 2.656158 10.37711 
1 1 1  -13   14   13 o  158.240   5.1522  170.226   9.9297  170.341   11.713  169.933   18.723  158.432   5.4554  158.048   8.7417 0.3841705 10.30434 
1 1 1  -13   14   14 o  106.317   5.8609   78.858   7.5890   81.612   9.0345   72.256   13.987  109.642   6.0806  102.992   10.021 6.649406 11.72178 
1 1 1  -13   14   15 o  196.477   5.7403  266.634   14.894  283.815   19.401  241.976   23.243  204.395   7.0045  188.559   9.0962 15.83574 11.48056 
1 1 1  -13   14   16 o  258.803   5.3640  442.670   16.702  428.677   19.406  482.646   32.801  251.308   5.6984  266.298   9.0894 -14.98964 10.72801 
1 1 1  -13   14   17 o  172.178   5.1585  198.085   10.926  193.597   12.901  209.471   20.547  168.887   5.6368  175.468   8.6411 -6.581635 10.31709 
1 1 1  -13   14   18 o  214.676   5.2774  312.670   13.785  311.963   16.238  314.493   26.082  214.388   5.5891  214.965   8.9535 -0.5768890 10.55478 
1 1 1  -13   14   19 o  178.115   5.7104  215.568   13.545  214.794   17.585  216.698   21.242  177.782   7.2990  178.448   8.7841 -0.6668396 11.42084 
1 1 1  -13   14   20 o   93.738   7.0153   59.337   8.7198   43.947   11.746   78.228   13.014   80.270   10.799  107.205   8.9580 -26.93503 14.03056 
1 1 1  -13   14   21 o  164.887   6.3758  185.510   14.145  158.288   19.789  213.946   20.225  152.441   9.5796  177.333   8.4163 -24.89236 12.75155 
1 1 1  -13   14   22 o  229.688   6.4068  359.184   19.940  358.879   28.379  359.481   28.023  229.584   9.1216  229.792   8.9992 -0.2075500 12.81360 
1 1 1  -13   14   23 o  201.685   5.6279  280.116   14.823  290.496   18.814  263.132   24.067  206.782   6.7142  196.589   9.0340 10.19284 11.25584 
1 1 1  -13   14   24 o  171.154   5.5397  199.376   12.416  199.830   15.672  198.611   20.348  171.497   6.7436  170.810   8.7908 0.6876068 11.07945 
1 1 1  -13   14   25 o  225.006   5.6147  340.356   16.466  330.213   20.493  358.832   27.658  220.441   6.8602  229.571   8.8903 -9.129379 11.22936 
1 1 1  -13   14   26 o  208.237   5.6623  298.151   15.366  307.127   19.411  283.087   25.148  212.601   6.7376  203.873   9.1024 8.728119 11.32466 
1 1 1  -13   14   27 o  145.806   7.1407  144.514   14.109  144.514   14.109   0.0000   0.0000  145.806   7.1407  ?   ?       ?      ? 
1 1 1  -13   14   28 o  129.639   5.8756  114.324   10.062  114.113   12.862  114.656   16.152  129.549   7.3263  129.728   9.1877 -0.1787109 11.75113 
1 1 1  -13   14   29 o  212.584   5.3460  310.249   14.039  314.513   16.778  300.289   25.642  215.212   5.7528  209.956   9.0124 5.256744 10.69196 
1 1 1  -13   14   30 o  188.667   5.2216  236.378   12.264  228.132   14.568  256.440   22.722  183.279   5.8653  194.055   8.6405 -10.77576 10.44320 
1 1 1  -13   14   31 o  153.882   5.5025  165.474   10.531  172.777   12.756  149.841   18.663  159.495   5.9018  148.269   9.2885 11.22552 11.00492 
1 1 1  -13   14   32 o   90.554   6.4186   56.097   7.5313   56.630   9.3933   55.139   12.602   91.236   7.5975   89.871   10.348 1.364944 12.83716 
1 1 1  -13   14   33 o  161.067   5.6560  186.678   11.257  205.036   13.802  150.207   19.455  173.741   5.8623  148.392   9.6745 25.34898 11.31203 
1 1 1  -13   14   34 o  235.919   5.4772  380.292   15.923  382.449   18.956  375.123   29.348  237.277   5.8954  234.560   9.2328 2.717392 10.95450 
1 1 1  -13   14   35 o  152.458   5.6891  163.795   10.873  174.280   13.332  142.972   18.788  160.152   6.1431  144.763   9.5773 15.38907 11.37812 
1 1 1  -13   14   36 o  278.239   5.6225  506.675   19.045  482.470   22.216  573.790   36.993  266.458   6.1525  290.020   9.4127 -23.56204 11.24509 
1 1 1  -13   14   37 f  354.646   6.3273  876.263   27.383  902.325   32.599  813.798   50.469  364.303   6.6032  344.988   10.795 19.31488 12.65469 
1 1 1  -13   14   38 o  233.408   5.9505  364.776   18.449  340.834   23.533  402.957   29.718  223.742   7.7615  243.074   9.0218 -19.33231 11.90098 
1 1 1  -13   14   39 o  134.723   7.1287  128.080   12.269  178.942   17.506   78.991   17.199  162.088   7.9701  107.358   11.822 54.72977 14.25733 
1 1 1  -13   14   40 o  102.363   10.319   84.444   12.029   43.176   19.245  110.902   15.410   77.215   18.611  127.511   8.9181 -50.29603 20.63730 
1 1 1  -13   14   41 o  268.397   10.527  492.755   38.287  492.755   38.287   0.0000   0.0000  268.397   10.527  ?   ?       ?      ? 
1 1 1  -13   14   42 o  303.095   6.5021  623.255   24.751  637.415   44.502  616.913   29.783  305.157   10.761  301.034   7.3009 4.123413 13.00428 
1 1 1  -13   14   43 o  291.467   6.3837  566.448   23.219  614.369   42.813  546.479   27.637  299.607   10.545  283.327   7.1981 16.27921 12.76745 
1 1 1  -13   14   44 o  161.241   6.3559  173.665   13.421  163.460   16.722  192.139   22.498  154.858   7.9683  167.623   9.9044 -12.76505 12.71184 
1 1 1  -13   14   45 o  148.237   6.4784  148.331   12.608  143.197   15.841  157.202   20.825  144.915   8.0665  151.559   10.140 -6.643127 12.95686 
1 1 1  -13   14   46 o  115.224   5.8066   89.247   8.9664   99.362   13.993   82.201   11.679  120.648   8.5590  109.800   7.8491 10.84752 11.61314 
1 1 1  -13   14   47 o  171.926   7.5843  201.507   17.670  201.507   17.670   0.0000   0.0000  171.926   7.5843  ?   ?       ?      ? 
1 1 1  -13   14   48 f  211.076   5.0226  303.013   14.312  309.890   21.287  297.341   19.333  213.212   7.3676  208.939   6.8282 4.272385 10.04516 
1 1 1  -13   14   49 o  125.061   5.6458  107.345   9.4394  103.031   14.425  110.575   12.483  122.769   8.6708  127.354   7.2330 -4.585609 11.29157 
1 1 1  -13   14   50 o   86.194   6.9496   52.676   7.8052   43.066   12.135   59.458   10.194   79.092   11.322   93.297   8.0627 -14.20539 13.89928 
1 1 1  -13   14   51 o   74.712   7.6993   40.181   7.2979   33.186   11.332   45.138   9.5396   68.212   12.727   81.213   8.6681 -13.00056 15.39863 
1 1 1  -13   14   52 o   89.235   6.5163   54.394   7.7870   55.987   12.042   53.249   10.209   90.278   9.8428   88.192   8.5422 2.086449 13.03262 
1 1 1  -13   14   53 o  105.812   5.9647   78.149   8.3743   67.200   12.615   86.776   11.197   98.920   9.4106  112.705   7.3315 -13.78545 11.92939 
1 1 1  -13   14   54 o  101.783   7.3154   70.017   9.1013   74.744   17.303   68.210   10.701  103.745   12.308   99.821   7.9109 3.924049 14.63087 
1 1 1  -13   14   55 o  118.855   6.8546   95.361   9.9488  101.843   18.949   92.894   11.690  121.183   11.539  116.527   7.4028 4.656006 13.70921 
1 1 1  -13   14   56 o   95.216   6.2635   62.747   7.9625   59.780   12.191   64.955   10.515   93.107   9.6622   97.324   7.9729 -4.217728 12.52697 
1 1 1  -13   14   57 o  128.121   5.4474  112.800   9.3849  110.673   14.101  114.491   12.575  126.932   8.1976  129.309   7.1760 -2.376808 10.89476 
1 1 1  -13   14   58 o   99.439   6.1414   67.858   8.2264   70.422   12.419   65.854   10.981  101.032   9.0710   97.846   8.2815 3.186043 12.28277 
1 1 1  -13   14   59 o  111.393   6.5844   84.806   9.8636   77.990   13.006   94.033   15.132  106.254   9.0329  116.532   9.5825 -10.27815 13.16881 
1 1 1  -13   14   60 o  116.131   8.4860   93.082   13.355   93.082   13.355   0.0000   0.0000  116.131   8.4860  ?   ?       ?      ? 
1 1 1  -13   14   61 o  103.956   6.0185   75.037   8.4090   71.826   12.562   77.643   11.319  101.783   9.1075  106.130   7.8704 -4.346886 12.03703 
1 1 1  -13   14   62 o   69.298   8.2829   37.253   7.0793   22.900   10.857   47.870   9.3375   55.405   14.347   83.191   8.2827 -27.78636 16.56579 
1 1 1  -13   14   63 o   61.940   8.5356   29.957   6.8124   17.425   10.393   39.399   9.0208   48.588   14.603   75.292   8.8413 -26.70402 17.07115 
1 1 1  -13   14   64 o  129.471   5.3653  116.111   9.3594  113.897   13.924  117.935   12.641  128.192   8.0155  130.749   7.1344 -2.557144 10.73070 
1 1 1  -13   14   65 o   83.688   6.6027   48.334   7.4162   54.260   11.500   44.116   9.7036   87.921   9.6521   79.454   9.0122 8.466911 13.20545 
1 1 1  -13   14   66 o   78.872   9.2312   50.196   8.3472   35.550   15.001   56.764   10.046   67.475   16.535   90.268   8.2125 -22.79247 18.46239 
1 1 1  -13   14   67 o   66.253   9.4332   41.864   8.1005   10.685   14.727   55.388   9.6995   43.379   17.072   89.127   8.0308 -45.74771 18.86647 
1 1 1  -13   14   68 o   75.707   9.7900   48.741   8.4149   31.174   15.705   55.815   9.9662   62.116   17.764   89.299   8.2357 -27.18276 19.58009 
1 1 1  -13   14   69 o   68.685   9.5993   34.880   7.8937   37.288   15.040   33.964   9.2737   68.327   16.442   69.043   9.9118 -0.7160339 19.19862 
1 1 1  -13   14   70 o   64.662   9.6816   32.035   7.6744   31.173   14.206   32.390   9.1196   62.049   16.579   67.275   10.003 -5.225483 19.36322 
1 1 1  -13   14   71 o   25.310   8.3789  -6.5132   6.2564  -5.1316   12.077  -7.0200   7.3143   29.561   13.507   21.058   9.9186 8.503046 16.75787 
1 1 1  -13   14   72 o   43.996   10.719   12.708   7.0830   20.732   13.638   9.7442   8.2886   50.731   16.921   37.261   13.163 13.47023 21.43727 
1 1 1  -13   14   73 o   54.302   12.118   24.506   10.054   27.920   14.139   21.015   14.301   57.816   16.949   50.788   17.325 7.027523 24.23694 
1 1 1  -13   14   74 o   47.769   11.683   17.664   9.3579   12.491   12.757   23.690   13.768   42.260   16.087   53.278   16.948 -11.01818 23.36678 
1 1 1  -13   14   75 o   50.543   11.714   20.135   9.4309   13.592   12.506   28.763   14.360   42.980   16.021   58.106   17.095 -15.12595 23.42836 
1 1 1  -13   14   76 o   61.781   11.740   32.419   10.030   32.879   13.691   31.886   14.737   62.662   16.051   60.899   17.136 1.763859 23.47943 
1 1 1  -13   14   77 o   61.395   16.154   31.890   13.621   31.890   13.621   0.0000   0.0000   61.395   16.154  ?   ?       ?      ? 
1 1 1  -13   14   78 o   48.167   16.316   19.451   12.683   19.451   12.683   0.0000   0.0000   48.167   16.316  ?   ?       ?      ? 
1 1 1  -13   14   79 o   44.580   16.271   16.107   12.784   16.107   12.784   0.0000   0.0000   44.580   16.271  ?   ?       ?      ? 
1 1 1  -13   14   80 o   78.028   14.241   49.823   14.503   49.823   14.503   0.0000   0.0000   78.028   14.241  ?   ?       ?      ? 
1 1 1  -13   14   81 o   57.109   16.658   29.418   13.688   29.418   13.688   0.0000   0.0000   57.109   16.658  ?   ?       ?      ? 
1 1 1  -13   14   82 o   35.566   14.910   6.9520   12.102   6.9520   12.102   0.0000   0.0000   35.566   14.910  ?   ?       ?      ? 
1 1 1  -13   15    1 o  125.615   7.5775  119.621   10.438  130.295   12.033   87.174   20.980  138.488   6.4118  112.743   13.732 25.74505 15.15501 
1 1 1  -13   15    2 o  177.592   4.7763  213.847   11.450  209.167   15.452  219.546   17.052  175.461   6.4987  179.723   7.0015 -4.261444 9.552648 
1 1 1  -13   15    3 o  211.764   4.8016  303.282   13.732  288.080   18.510  321.887   20.477  205.906   6.6337  217.623   6.9436 -11.71761 9.603120 
1 1 1  -13   15    4 o  211.527   4.7922  304.820   13.694  316.126   18.864  292.223   19.911  215.713   6.4531  207.341   7.0866 8.372269 9.584453 
1 1 1  -13   15    5 o  145.737   4.9317  142.917   9.6910  128.466   12.971  161.175   14.580  137.482   6.9621  153.992   6.9869 -16.50938 9.863390 
1 1 1  -13   15    6 o   95.699   5.5621   61.785   7.1784   57.215   9.5932   67.599   10.821   91.718   7.7184   99.680   8.0108 -7.961395 11.12416 
1 1 1  -13   15    7 o   94.901   5.6359   60.956   7.2248   57.496   9.7514   65.166   10.757   91.938   7.8269   97.864   8.1114 -5.926331 11.27183 
1 1 1  -13   15    8 o  153.122   4.8592  159.491   10.058  161.577   13.799  157.126   14.691  154.209   6.6033  152.035   7.1306 2.173691 9.718460 
1 1 1  -13   15    9 o  203.042   4.8195  278.630   13.224  256.697   17.952  304.658   19.555  194.352   6.8161  211.732   6.8155 -17.37921 9.639021 
1 1 1  -13   15   10 o  221.514   4.8233  333.720   14.465  341.054   20.174  325.959   20.753  224.038   6.6448  218.990   6.9931 5.047150 9.646600 
1 1 1  -13   15   11 o  175.992   5.2637  209.079   11.219  207.217   13.156  214.042   21.481  174.705   5.5568  177.280   8.9415 -2.574677 10.52745 
1 1 1  -13   15   12 o  131.622   5.5278  119.615   8.8925  122.049   10.568  113.712   16.458  134.065   5.8169  129.178   9.4016 4.887283 11.05563 
1 1 1  -13   15   13 o  121.670   5.5646  100.008   8.3219   99.058   9.8518  102.375   15.548  120.770   6.0197  122.571   9.3608 -1.801048 11.12928 
1 1 1  -13   15   14 o  206.863   5.2658  286.670   13.143  281.635   15.347  300.526   25.460  203.671   5.5603  210.055   8.9442 -6.383804 10.53169 
1 1 1  -13   15   15 o  166.264   5.9399  192.529   13.035  213.811   17.242  164.146   19.912  177.339   7.1748  155.189   9.4684 22.15007 11.87977 
1 1 1  -13   15   16 o  210.692   9.0513  302.417   25.843   0.0000   0.0000  302.417   25.843  ?   ?   210.692   9.0513      ?      ? 
1 1 1  -13   15   17 o  136.774   5.8514  124.424   10.533  115.933   13.204  139.283   17.467  130.563   7.4629  142.986   9.0146 -12.42329 11.70285 
1 1 1  -13   15   18 o   67.244   7.8573   31.213   6.4013   30.900   7.6593   31.939   11.658   67.371   8.3894   67.116   13.288 0.2551498 15.71470 
1 1 1  -13   15   19 o   95.115   6.3033   63.816   7.3673   67.200   8.8706   56.290   13.228   99.442   6.5827   90.788   10.751 8.653267 12.60655 
1 1 1  -13   15   20 o  123.743   5.6228  105.347   8.6203  107.090   10.331  101.351   15.640  125.559   6.0719  121.927   9.4655 3.631683 11.24561 
1 1 1  -13   15   21 o  104.591   5.7694   70.049   7.6463   62.929   9.1125   86.990   14.056   96.207   6.9895  112.975   9.1811 -16.76817 11.53890 
1 1 1  -13   15   22 o  204.474   5.3937  284.892   13.436  285.460   15.857  283.448   25.297  205.020   5.7074  203.928   9.1539 1.092010 10.78739 
1 1 1  -13   15   23 o  176.125   5.7646  210.683   13.758  210.683   13.758   0.0000   0.0000  176.125   5.7646  ?   ?       ?      ? 
1 1 1  -13   15   24 o  217.424   7.3503  321.568   21.657  321.568   21.657   0.0000   0.0000  217.424   7.3503  ?   ?       ?      ? 
1 1 1  -13   15   25 o  245.743   5.5177  409.725   16.514  408.074   19.457  413.978   31.226  245.101   5.8580  246.386   9.3523 -1.285599 11.03547 
1 1 1  -13   15   26 o  236.833   5.4391  375.573   15.697  367.905   18.430  395.832   29.958  232.722   5.8440  240.944   9.1751 -8.222061 10.87813 
1 1 1  -13   15   27 o  181.792   5.3951  222.437   12.150  218.888   14.441  231.033   22.477  179.496   5.9370  184.088   9.0101 -4.592743 10.79025 
1 1 1  -13   15   28 o  180.743   6.0551  227.836   14.453  254.995   19.205  192.360   21.949  193.595   7.3204  167.891   9.6472 25.70343 12.11017 
1 1 1  -13   15   29 o  242.453   6.0396  406.622   19.347  431.895   25.208  370.394   30.181  251.934   7.3836  232.973   9.5597 18.96094 12.07916 
1 1 1  -13   15   30 o  203.079   5.4332  277.138   13.700  271.884   16.301  289.777   25.282  200.028   6.0138  206.130   9.0507 -6.102692 10.86647 
1 1 1  -13   15   31 o   53.776   9.8566   21.073   7.2963   24.468   9.5932   16.413   11.238   58.641   12.456   48.910   15.279 9.730873 19.71319 
1 1 1  -13   15   32 o   94.538   9.4963   69.556   10.236  123.697   14.827   20.259   14.148  134.749   8.1200   54.327   17.169 80.42197 18.99255 
1 1 1  -13   15   33 o  101.610   7.1538   70.392   9.7707   58.832   13.443   83.336   14.225   92.737   10.697  110.484   9.5012 -17.74738 14.30757 
1 1 1  -13   15   34 o  166.703   5.9891  189.984   13.341  192.777   17.542  186.152   20.548  168.249   7.6937  165.157   9.1808 3.092422 11.97830 
1 1 1  -13   15   35 o  118.088   8.4940   96.896   12.881   91.716   21.727   99.703   15.996  115.374   13.897  120.802   9.7714 -5.427307 16.98807 
1 1 1  -13   15   36 o  115.896   6.8580   91.790   10.740   91.952   14.656   91.602   15.785  116.044   9.3200  115.749   10.063 0.2950974 13.71604 
1 1 1  -13   15   37 f  210.930   5.5585  306.327   14.483  311.020   17.316  295.401   26.421  213.898   5.9740  207.962   9.3754 5.935883 11.11697 
1 1 1  -13   15   38 o  133.249   6.0000  122.568   10.104  125.268   12.325  117.035   17.644  135.683   6.7033  130.815   9.9532 4.867416 11.99998 
1 1 1  -13   15   39 o  117.078   6.2820   94.338   9.4119   95.929   11.602   91.274   16.097  118.686   7.2134  115.470   10.287 3.216675 12.56407 
1 1 1  -13   15   40 o  208.374   5.5639  295.069   14.395  293.627   17.186  298.459   26.348  207.781   6.1037  208.967   9.3045 -1.185379 11.12786 
1 1 1  -13   15   41 o  110.157   7.5813   82.714   11.317   82.714   11.317   0.0000   0.0000  110.157   7.5813  ?   ?       ?      ? 
1 1 1  -13   15   42 o  163.682   6.3179  182.325   14.014  182.325   14.014   0.0000   0.0000  163.682   6.3179  ?   ?       ?      ? 
1 1 1  -13   15   43 o  118.020   6.2787   95.214   9.4948   95.190   11.668   95.261   16.336  118.170   7.2863  117.870   10.227 0.2997665 12.55739 
1 1 1  -13   15   44 o  199.855   5.6856  278.342   14.301  288.746   17.458  257.122   24.934  205.952   6.2553  193.758   9.4962 12.19411 11.37130 
1 1 1  -13   15   45 o  127.961   8.3976  111.933   14.562  111.933   14.562   0.0000   0.0000  127.961   8.3976  ?   ?       ?      ? 
1 1 1  -13   15   46 o   86.825   6.7553   52.026   7.7559   50.151   12.277   53.272   10.005   85.393   10.609   88.258   8.3656 -2.864838 13.51068 
1 1 1  -13   15   47 o  104.915   6.0995   75.469   8.5117   74.836   13.349   75.902   11.050  104.437   9.4318  105.394   7.7366 -0.9564362 12.19892 
1 1 1  -13   15   48 o  104.656   6.0008   72.724   8.3791   90.599   13.283   60.912   10.799  115.005   8.5232   94.308   8.4496 20.69762 12.00167 
1 1 1  -13   15   49 o  129.165   5.3974  114.639   9.3229  110.561   14.251  117.690   12.327  127.041   8.2779  131.288   6.9285 -4.246460 10.79475 
1 1 1  -13   15   50 o   84.618   6.8088   49.910   7.6068   46.251   11.945   52.407   9.8659   81.809   10.775   87.428   8.3273 -5.618599 13.61766 
1 1 1  -13   15   51 o  116.308   5.7433   92.949   8.9313   91.599   13.744   93.936   11.751  115.457   8.7844  117.158   7.4013 -1.701035 11.48668 
1 1 1  -13   15   52 o   61.789   10.035   28.779   7.6671   23.404   14.717   30.781   8.9823   56.818   17.442   66.759   9.9287 -9.940929 20.06970 
1 1 1  -13   15   53 o   67.348   8.2827   32.615   7.1615   29.856   11.306   34.464   9.2551   64.068   13.450   70.629   9.6697 -6.561043 16.56541 
1 1 1  -13   15   54 o   71.784   8.8401   36.288   8.3626   30.798   11.260   43.040   12.488   65.078   13.219   78.490   11.741 -13.41234 17.68022 
1 1 1  -13   15   55 o  115.170   6.7600   93.776   10.292  103.836   13.658   80.557   15.657  122.796   8.2080  107.544   10.743 15.25152 13.51991 
1 1 1  -13   15   56 o   58.907   9.8250   24.992   7.7988   17.995   10.415   33.920   11.766   49.622   14.547   68.191   13.210 -18.56912 19.64997 
1 1 1  -13   15   57 o  104.778   7.2198   73.919   10.003   65.254   12.580   88.811   16.493   96.897   9.5808  112.659   10.803 -15.76202 14.43965 
1 1 1  -13   15   58 o  135.491   6.5555  126.549   11.590  123.711   14.483  131.603   19.325  133.839   7.9854  137.143   10.399 -3.304184 13.11091 
1 1 1  -13   15   59 o  127.957   5.4576  112.107   9.4156  123.049   14.218  103.559   12.566  133.424   7.8634  122.491   7.5703 10.93366 10.91525 
1 1 1  -13   15   60 o  127.189   5.4539  112.322   9.3426  107.411   13.813  116.463   12.684  124.451   8.1904  129.927   7.2040 -5.476395 10.90779 
1 1 1  -13   15   61 f   46.271   9.6820   15.383   6.4510   19.275   10.081   12.685   8.3948   50.636   14.146   41.905   13.223 8.731548 19.36399 
1 1 1  -13   15   62 o  115.087   5.8393   94.091   8.9087   76.614   13.090  109.169   12.159  104.536   9.2406  125.637   7.1415 -21.10042 11.67862 
1 1 1  -13   15   63 o   49.493   9.7840   20.422   7.2068   7.3356   13.569   25.565   8.5058   39.935   16.160   59.051   11.035 -19.11575 19.56803 
1 1 1  -13   15   64 o   46.515   10.390   15.728   6.8011   16.987   13.054   15.259   7.9679   47.952   16.546   45.078   12.570 2.873821 20.77931 
1 1 1  -13   15   65 o   59.303   8.3477   25.007   6.5364   34.419   10.224   18.500   8.5006   69.226   10.899   49.380   12.648 19.84612 16.69547 
1 1 1  -13   15   66 o   54.758   10.562   22.583   7.4112   25.516   14.349   21.516   8.6550   56.221   17.216   53.295   12.242 2.926434 21.12484 
1 1 1  -13   15   67 o   75.657   9.1218   42.536   8.1098   44.053   15.429   41.957   9.5329   74.454   15.782   76.860   9.1526 -2.405090 18.24363 
1 1 1  -13   15   68 o   38.362   10.344   7.4381   6.8191   15.424   13.129   4.4880   7.9799   45.604   16.513   31.120   12.463 14.48374 20.68774 
1 1 1  -13   15   69 o   27.076   8.8270  -5.7998   6.3543   0.6708   12.788  -7.9214   7.3223   33.618   14.720   20.533   9.7462 13.08534 17.65399 
1 1 1  -13   15   70 o   45.684   10.406   16.629   7.1255   13.052   13.416   18.034   8.4096   43.208   16.485   48.160   12.703 -4.951965 20.81152 
1 1 1  -13   15   71 o   28.008   9.2114  -7.4474   8.4450  -8.8189   11.598  -5.8994   12.321   26.833   12.592   29.184   13.448 -2.350557 18.42289 
1 1 1  -13   15   72 o   51.601   10.866   19.848   9.2957   5.7045   12.654   36.427   13.700   36.513   15.272   66.690   15.461 -30.17744 21.73188 
1 1 1  -13   15   73 o   47.705   11.640   18.592   9.1409   19.213   12.674   17.918   13.196   48.344   16.311   47.067   16.610 1.276939 23.27991 
1 1 1  -13   15   74 o   54.394   11.358   23.911   9.6599   12.214   13.128   37.722   14.265   41.673   16.199   67.116   15.924 -25.44337 22.71564 
1 1 1  -13   15   75 o   40.529   15.754   11.508   12.416   11.508   12.416   0.0000   0.0000   40.529   15.754  ?   ?       ?      ? 
1 1 1  -13   15   76 o   35.749   14.953   6.0850   12.131   6.0850   12.131   0.0000   0.0000   35.749   14.953  ?   ?       ?      ? 
1 1 1  -13   15   77 o   56.074   16.843   28.043   13.828   28.043   13.828   0.0000   0.0000   56.074   16.843  ?   ?       ?      ? 
1 1 1  -13   15   78 o   48.253   16.848   20.682   13.554   20.682   13.554   0.0000   0.0000   48.253   16.848  ?   ?       ?      ? 
1 1 1  -13   15   79 o   54.318   16.708   27.102   13.497   27.102   13.497   0.0000   0.0000   54.318   16.708  ?   ?       ?      ? 
1 1 1  -13   15   80 o   29.032   13.251  -2.1827   11.584  -2.1827   11.584   0.0000   0.0000   29.032   13.251  ?   ?       ?      ? 
1 1 1  -13   16    1 o  189.805   4.9009  245.902   12.548  256.727   17.193  233.561   18.356  194.331   6.5286  185.278   7.3111 9.052994 9.801789 
1 1 1  -13   16    2 o  232.997   7.2149  369.315   22.780   0.0000   0.0000  369.315   22.780  ?   ?   232.997   7.2149      ?      ? 
1 1 1  -13   16    3 o  173.309   4.9412  203.830   11.552  199.758   15.545  208.853   17.265  171.406   6.6923  175.211   7.2715 -3.804138 9.882346 
1 1 1  -13   16    4 o  117.889   7.2593   94.806   10.940   95.307   18.936   94.555   13.403  117.966   11.845  117.812   8.3953 0.1532898 14.51865 
1 1 1  -13   16    5 o  103.737   12.796   73.833   17.989   73.833   17.989   0.0000   0.0000  103.737   12.796  ?   ?       ?      ? 
1 1 1  -13   16    6 o   83.241   7.4751   42.037   7.9421   29.785   9.5798   68.967   14.203   66.012   10.709  100.470   10.432 -34.45833 14.95020 
1 1 1  -13   16    7 o   80.885   7.5942   45.984   7.8239   48.814   9.7261   40.794   13.170   84.645   8.4792   77.124   12.601 7.520599 15.18843 
1 1 1  -13   16    8 f  123.629   6.0589   99.914   9.7165   90.600   11.889  118.650   16.862  115.379   7.6037  131.880   9.4353 -16.50114 12.11779 
1 1 1  -13   16    9 o  121.445   6.0780   98.147   9.6049   92.542   11.865  108.801   16.359  116.615   7.5083  126.275   9.5599 -9.660629 12.15593 
1 1 1  -13   16   10 o  171.360   7.2930  199.489   16.726  207.463   25.983  193.848   21.856  174.170   11.009  168.549   9.5687 5.620972 14.58602 
1 1 1  -13   16   11 f  233.563   9.5475  372.231   30.219   0.0000   0.0000  372.231   30.219  ?   ?   233.563   9.5475      ?      ? 
1 1 1  -13   16   12 o  181.944   7.3581  228.081   17.766  216.194   27.705  236.382   23.154  177.716   11.504  186.173   9.1774 -8.456726 14.71620 
1 1 1  -13   16   13 f  218.507   5.7992  324.487   16.402  322.794   20.354  327.622   27.699  217.863   6.8942  219.151   9.3269 -1.287888 11.59831 
1 1 1  -13   16   14 o  146.607   5.9087  143.957   11.341  137.320   14.158  155.844   18.948  142.060   7.3541  151.153   9.2504 -9.092682 11.81748 
1 1 1  -13   16   15 o   52.300   9.8841   19.301   7.0523   18.533   9.1644   20.416   11.043   51.002   13.169   53.598   14.743 -2.596897 19.76814 
1 1 1  -13   16   16 o   63.252   9.2255   30.242   7.6305   38.740   9.9575   18.153   11.877   75.330   9.7543   51.174   15.662 24.15626 18.45107 
1 1 1  -13   16   17 o  154.559   5.8384  157.336   11.869  141.958   14.808  184.967   19.850  144.415   7.5667  164.703   8.8934 -20.28842 11.67684 
1 1 1  -13   16   18 o   79.582   8.3168   41.882   8.3175   26.348   10.655   66.115   13.308   60.776   13.306   98.387   9.9816 -37.61118 16.63351 
1 1 1  -13   16   19 o  141.523   7.6645  136.357   14.699  136.357   14.699   0.0000   0.0000  141.523   7.6645  ?   ?       ?      ? 
1 1 1  -13   16   20 o  250.662   7.2123  427.541   24.499  427.541   24.499   0.0000   0.0000  250.662   7.2123  ?   ?       ?      ? 
1 1 1  -13   16   21 o  258.410   6.1602  460.515   20.742  475.442   26.219  435.547   33.910  264.309   7.3203  252.512   9.9099 11.79631 12.32038 
1 1 1  -13   16   22 o  103.367   10.862   73.111   15.216   0.0000   0.0000   73.111   15.216  ?   ?   103.367   10.862      ?      ? 
1 1 1  -13   16   23 o  135.503   5.8946  121.556   10.045  115.921   12.002  134.730   18.352  130.545   6.7844  140.461   9.6414 -9.915543 11.78921 
1 1 1  -13   16   24 o  255.706   6.0132  441.168   20.058  429.263   25.012  462.620   33.576  251.121   7.3499  260.290   9.5191 -9.168991 12.02640 
1 1 1  -13   16   25 o  258.698   5.7017  452.351   17.924  447.790   21.060  464.339   34.142  256.668   6.0549  260.729   9.6631 -4.060974 11.40333 
1 1 1  -13   16   26 o  179.861   5.6090  221.481   12.459  223.048   14.861  217.777   22.855  181.143   6.0541  178.579   9.4442 2.564316 11.21806 
1 1 1  -13   16   27 o  144.893   5.8341  145.183   10.544  148.589   12.727  137.730   18.828  147.820   6.3534  141.966   9.7868 5.854095 11.66821 
1 1 1  -13   16   28 o  102.609   6.4724   70.069   8.6058   66.022   10.575   78.003   14.808   98.430   7.9280  106.787   10.233 -8.357040 12.94472 
1 1 1  -13   16   29 o  184.938   5.5147  232.128   12.647  230.769   15.081  235.347   23.215  184.238   6.0404  185.638   9.2283 -1.400909 11.02941 
1 1 1  -13   16   30 o  111.701   6.2385   84.142   8.9408   82.060   10.938   88.333   15.522  109.769   7.3529  113.632   10.080 -3.863693 12.47692 
1 1 1  -13   16   31 o  107.440   7.0761   78.157   10.246   71.055   13.652   87.315   15.504  101.922   9.8846  112.957   10.128 -11.03514 14.15226 
1 1 1  -13   16   32 o  220.475   6.1044  336.122   17.756  352.838   22.985  311.384   27.961  227.568   7.4534  213.381   9.6698 14.18704 12.20888 
1 1 1  -13   16   33 o  175.131   5.6432  208.760   12.257  208.145   14.629  210.207   22.453  174.928   6.1713  175.335   9.4498 -0.4060669 11.28642 
1 1 1  -13   16   34 o  119.969   6.3928  104.190   9.5089  115.493   11.732   82.546   16.235  130.253   6.6465  109.686   10.922 20.56750 12.78556 
1 1 1  -13   16   35 o   75.484   8.2461   39.975   7.8111   40.512   9.7099   38.991   13.149   76.961   9.3103   74.008   13.613 2.952087 16.49218 
1 1 1  -13   16   36 o  183.207   5.6588  232.016   12.871  236.634   15.466  221.613   23.213  186.485   6.1199  179.930   9.5202 6.554749 11.31757 
1 1 1  -13   16   37 o  116.565   9.0252   92.947   14.256   92.947   14.256   0.0000   0.0000  116.565   9.0252  ?   ?       ?      ? 
1 1 1  -13   16   38 o  140.284   6.6624  134.069   12.665  134.069   12.665   0.0000   0.0000  140.284   6.6624  ?   ?       ?      ? 
1 1 1  -13   16   39 o  189.788   6.2054  245.263   15.960  245.263   15.960   0.0000   0.0000  189.788   6.2054  ?   ?       ?      ? 
1 1 1  -13   16   40 o  131.073   5.9474  116.586   9.9490  114.781   12.132  120.292   17.384  129.738   6.9008  132.407   9.6883 -2.668869 11.89472 
1 1 1  -13   16   41 o  137.554   6.1930  137.056   10.615  152.401   13.165  108.543   17.946  149.527   6.4970  125.581   10.545 23.94604 12.38592 
1 1 1  -13   16   42 o  118.619   6.0351   91.002   9.2732   79.470   11.288  114.946   16.265  107.819   7.7255  129.418   9.2740 -21.59933 12.07017 
1 1 1  -13   16   43 o   32.560   9.5568   2.0949   6.7971   1.4955   8.7389   3.0129   10.815   30.433   12.707   34.687   14.278 -4.254694 19.11367 
1 1 1  -13   16   44 o   68.700   9.0685   35.186   7.8245   39.833   9.9050   27.473   12.761   76.090   9.6061   61.310   15.384 14.77991 18.13696 
1 1 1  -13   16   45 o  113.851   6.7390   95.304   9.5888  110.167   12.115   70.374   15.690  126.957   7.0416  100.745   11.492 26.21170 13.47801 
1 1 1  -13   16   46 o  148.733   5.7608  146.051   10.984  135.235   13.297  169.277   19.486  140.636   6.9773  156.831   9.1686 -16.19435 11.52152 
1 1 1  -13   16   47 o   42.783   10.209   11.162   7.1624   6.3933   9.4338   17.653   11.005   35.923   13.795   49.644   15.051 -13.72116 20.41702 
1 1 1  -13   16   48 o   45.188   9.7571   14.185   7.2147   21.881   9.5762   4.0829   10.972   54.793   13.078   35.583   14.483 19.20965 19.51413 
1 1 1  -13   16   49 o   49.536   11.397   17.403   8.7250   14.726   14.098   19.065   11.108   47.875   17.139   51.197   15.027 -3.322178 22.79375 
1 1 1  -13   16   50 o   52.747   10.367   20.498   7.8286   25.201   10.867   15.423   11.288   58.533   13.906   46.961   15.381 11.57200 20.73498 
1 1 1  -13   16   51 o   76.807   8.8677   43.721   8.6618   53.239   11.730   32.308   12.845   87.551   9.8870   66.064   14.724 21.48744 17.73544 
1 1 1  -13   16   52 o   43.054   9.7597   12.900   6.2815   13.502   10.423   12.557   7.8716   44.206   14.793   41.901   12.735 2.305000 19.51934 
1 1 1  -13   16   53 o   67.198   7.8663   32.477   6.7962   30.645   10.734   33.703   8.7803   64.747   12.687   69.649   9.3028 -4.901169 15.73258 
1 1 1  -13   16   54 o   92.555   6.1970   59.486   7.6909   59.144   11.731   59.744   10.185   92.160   9.3931   92.951   8.0859 -0.7908859 12.39409 
1 1 1  -13   16   55 o   98.590   7.1882   67.120   9.4240   63.084   12.065   73.435   15.093   95.098   9.3623  102.082   10.910 -6.984161 14.37643 
1 1 1  -13   16   56 o   60.560   8.4879   27.841   6.6632   20.399   10.252   33.283   8.7673   52.117   14.152   69.003   9.3759 -16.88610 16.97573 
1 1 1  -13   16   57 o  103.866   5.8760   74.929   8.1997   75.917   12.466   74.176   10.886  104.299   8.8198  103.434   7.7667 0.8642273 11.75203 
1 1 1  -13   16   58 o   59.219   8.5906   24.786   6.7501   33.418   10.527   18.759   8.7963   68.434   11.352   50.004   12.897 18.43097 17.18111 
1 1 1  -13   16   59 o   27.392   8.8170  -4.2709   6.2167  -0.8526   12.293  -5.4454   7.2061   32.811   14.398   21.974   10.181 10.83714 17.63400 
1 1 1  -13   16   60 o   53.761   10.576   22.280   7.4830   21.345   14.353   22.629   8.7691   52.542   17.350   54.980   12.098 -2.438671 21.15189 
1 1 1  -13   16   61 o   61.510   8.3871   26.733   6.7669   38.039   10.687   19.167   8.7427   72.803   10.833   50.217   12.807 22.58594 16.77415 
1 1 1  -13   16   62 o   63.403   8.3850   30.763   6.8529   23.956   10.414   35.962   9.1010   55.637   13.863   71.168   9.4367 -15.53150 16.77003 
1 1 1  -13   16   63 o   53.776   10.290   24.335   7.6550   15.597   14.280   27.858   9.0679   46.438   17.157   61.115   11.367 -14.67765 20.58099 
1 1 1  -13   16   64 o   63.269   10.403   27.525   7.9465   42.712   15.775   22.361   9.1989   72.639   16.412   53.899   12.787 18.74020 20.80564 
1 1 1  -13   16   65 o   64.178   10.328   33.903   8.0943   27.987   15.859   35.988   9.4125   57.603   18.175   70.753   9.8169 -13.14996 20.65667 
1 1 1  -13   16   66 o   32.107   9.7320   2.1752   6.8543   3.8263   13.107   1.5538   8.0414   35.913   15.306   28.302   12.024 7.610928 19.46391 
1 1 1  -13   16   67 o   68.038   9.7873   37.489   8.0944   32.191   14.739   39.777   9.6859   61.796   17.046   74.281   9.6223 -12.48520 19.57467 
1 1 1  -13   16   68 o   55.278   11.852   25.730   9.6529   26.301   13.569   25.144   13.735   55.920   16.659   54.637   16.863 1.283291 23.70385 
1 1 1  -13   16   69 o   57.053   11.728   27.554   9.6240   29.283   13.646   25.844   13.575   58.882   16.461   55.224   16.711 3.658894 23.45682 
1 1 1  -13   16   70 o   68.105   11.264   38.714   10.217   36.683   14.542   40.693   14.357   65.932   16.355   70.278   15.492 -4.346550 22.52728 
1 1 1  -13   16   71 f   32.895   10.149   1.1379   8.6528  -3.1345   12.302   5.3209   12.173   30.290   13.760   35.501   14.922 -5.210390 20.29732 
1 1 1  -13   16   72 o   43.932   16.295   15.189   12.907   15.189   12.907   0.0000   0.0000   43.932   16.295  ?   ?       ?      ? 
1 1 1  -13   16   73 o   45.226   16.517   16.823   13.176   16.823   13.176   0.0000   0.0000   45.226   16.517  ?   ?       ?      ? 
1 1 1  -13   16   74 o   25.174   11.986 -10.3261   11.243 -10.3261   11.243   0.0000   0.0000   25.174   11.986  ?   ?       ?      ? 
1 1 1  -13   16   75 o   56.653   16.636   28.980   13.611   28.980   13.611   0.0000   0.0000   56.653   16.636  ?   ?       ?      ? 
1 1 1  -13   16   76 o   38.546   15.846   10.012   13.298   10.012   13.298   0.0000   0.0000   38.546   15.846  ?   ?       ?      ? 
1 1 1  -13   17    1 o  116.936   5.6754   92.331   8.9193   86.845   11.749   99.796   13.703  112.904   7.6788  120.969   8.3593 -8.064934 11.35088 
1 1 1  -13   17    2 o  217.861   4.9983  321.925   14.708  309.605   19.872  336.852   21.874  213.295   6.8750  222.427   7.2571 -9.132385 9.996515 
1 1 1  -13   17    3 o  240.859   5.0628  396.014   16.479  417.538   22.914  372.953   23.717  247.708   6.8260  234.010   7.4790 13.69861 10.12570 
1 1 1  -13   17    4 o  170.466   5.1698  199.464   11.840  215.298   16.166  181.143   17.388  177.889   6.7061  163.043   7.8699 14.84561 10.33959 
1 1 1  -13   17    5 o  145.445   7.4959  142.900   14.608  157.267   22.792  132.883   19.031  151.495   11.102  139.394   10.075 12.10109 14.99182 
1 1 1  -13   17    6 o  164.709   7.5726  184.784   16.902   0.0000   0.0000  184.784   16.902  ?   ?   164.709   7.5726      ?      ? 
1 1 1  -13   17    7 o  167.263   5.2280  187.408   11.696  149.752   15.571  236.153   17.716  148.258   7.7504  186.269   7.0185 -38.01187 10.45600 
1 1 1  -13   17    8 o  126.243   8.0477  108.627   13.768   0.0000   0.0000  108.627   13.768  ?   ?   126.243   8.0477      ?      ? 
1 1 1  -13   17    9 o  164.902   5.1952  184.071   11.574  170.266   15.662  200.684   17.181  158.133   7.3087  171.670   7.3853 -13.53650 10.39037 
1 1 1  -13   17   10 o  235.859   7.3992  378.830   23.649   0.0000   0.0000  378.830   23.649  ?   ?   235.859   7.3992      ?      ? 
1 1 1  -13   17   11 f  210.308   7.4090  301.208   21.115  301.208   21.115   0.0000   0.0000  210.308   7.4090  ?   ?       ?      ? 
1 1 1  -13   17   12 o  118.034   6.6993   94.793   10.716   94.793   10.716   0.0000   0.0000  118.034   6.6993  ?   ?       ?      ? 
1 1 1  -13   17   13 o  221.969   5.7863  348.192   15.335  363.326   18.088  309.522   28.914  231.205   5.7732  212.734   10.030 18.47064 11.57263 
1 1 1  -13   17   14 o  302.373   6.1105  621.674   25.038  621.674   25.038   0.0000   0.0000  302.373   6.1105  ?   ?       ?      ? 
1 1 1  -13   17   15 o  218.708   5.7553  325.120   17.058  325.120   17.058   0.0000   0.0000  218.708   5.7553  ?   ?       ?      ? 
1 1 1  -13   17   16 f  115.701   6.4314   94.888   8.8667   99.133   10.453   83.993   16.744  120.722   6.3893  110.681   11.164 10.04120 12.86282 
1 1 1  -13   17   17 o  175.557   5.5974  213.547   11.817  217.787   13.903  202.511   22.429  178.999   5.7316  172.114   9.6162 6.885223 11.19477 
1 1 1  -13   17   18 o  166.765   5.5606  188.006   11.247  186.083   13.198  193.105   21.492  165.441   5.8869  168.089   9.4354 -2.648178 11.12129 
1 1 1  -13   17   19 o  133.884   5.7281  119.563   9.5005  115.815   11.255  128.857   17.721  130.478   6.3651  137.289   9.5253 -6.811066 11.45621 
1 1 1  -13   17   20 o  148.587   5.7234  149.375   10.447  147.750   12.361  153.437   19.546  147.386   6.1888  149.788   9.6295 -2.402802 11.44679 
1 1 1  -13   17   21 o  209.946   5.5931  301.657   14.225  303.040   16.744  298.069   26.970  211.114   5.8526  208.777   9.5329 2.337463 11.18610 
1 1 1  -13   17   22 o  152.535   5.8884  164.420   10.957  172.641   13.119  145.456   19.925  159.319   6.0764  145.752   10.088 13.56749 11.77686 
1 1 1  -13   17   23 o  204.151   5.5681  280.405   13.808  275.701   16.194  292.932   26.427  201.344   5.9351  206.959   9.4229 -5.615417 11.13626 
1 1 1  -13   17   24 o  162.433   5.7834  182.323   11.518  185.513   13.709  174.666   21.237  165.134   6.1263  159.732   9.8112 5.402100 11.56682 
1 1 1  -13   17   25 o  171.345   5.5237  188.722   11.665  174.151   13.646  228.264   22.479  159.971   6.2948  182.719   9.0785 -22.74774 11.04733 
1 1 1  -13   17   26 o  107.961   6.5203   79.822   8.8157   79.975   10.616   79.483   15.823  108.325   7.2320  107.598   10.852 0.7268677 13.04060 
1 1 1  -13   17   27 o  102.721   6.8500   73.807   8.8037   76.511   10.695   68.126   15.504  105.925   7.4509   99.516   11.497 6.409363 13.69991 
1 1 1  -13   17   28 o  114.115   7.0834   88.315   10.808   83.686   14.032   95.071   16.950  110.561   9.3652  117.668   10.630 -7.106514 14.16679 
1 1 1  -13   17   29 o  128.057   6.0542  106.734   9.7735   98.366   11.635  126.786   18.012  120.114   7.1483  136.001   9.7732 -15.88621 12.10838 
1 1 1  -13   17   30 o  115.874   6.2348   87.764   9.1799   80.806   11.006  103.670   16.640  108.824   7.4633  122.924   9.9894 -14.09957 12.46950 
1 1 1  -13   17   31 o  177.714   5.7374  216.385   12.503  217.150   14.831  214.506   23.249  178.584   6.1283  176.845   9.7014 1.739090 11.47488 
1 1 1  -13   17   32 o  138.008   6.0806  129.883   10.445  129.179   12.495  131.516   19.031  137.659   6.6981  138.358   10.150 -0.6988525 12.16116 
1 1 1  -13   17   33 o  118.270   6.3175   96.771   9.3751   98.376   11.352   93.328   16.625  120.084   6.9762  116.456   10.534 3.628357 12.63498 
1 1 1  -13   17   34 o   53.887   9.6751   17.371   7.2138   8.7727   8.8023   34.959   12.589   38.054   13.551   69.721   13.813 -31.66699 19.35024 
1 1 1  -13   17   35 o  141.540   6.5724  136.638   12.606  136.638   12.606   0.0000   0.0000  141.540   6.5724  ?   ?       ?      ? 
1 1 1  -13   17   36 f  141.676   6.0213  137.653   10.668  137.777   12.829  137.376   19.203  142.094   6.6625  141.258   10.032 0.8361816 12.04265 
1 1 1  -13   17   37 o  131.266   6.0077  115.535   9.9312  111.270   11.907  125.282   18.001  127.643   6.8839  134.889   9.8479 -7.245132 12.01538 
1 1 1  -13   17   38 o   74.368   8.5318   39.535   7.8533   40.623   9.6718   37.428   13.455   76.852   9.2869   71.884   14.315 4.968269 17.06357 
1 1 1  -13   17   39 o  129.280   6.1442  115.237   10.043  116.015   12.211  113.610   17.657  130.281   6.9163  128.278   10.157 2.002563 12.28838 
1 1 1  -13   17   40 o  109.394   6.5653   81.963   9.2110   80.981   11.302   83.905   15.896  108.708   7.6719  110.079   10.656 -1.371552 13.13054 
1 1 1  -13   17   41 o   51.574   10.078   19.942   7.4268   24.019   9.5547   13.718   11.805   57.564   12.598   45.584   15.734 11.97964 20.15635 
1 1 1  -13   17   42 o   87.691   7.3774   51.990   8.4510   48.598   10.485   58.279   14.277   83.929   9.2189   91.452   11.520 -7.522209 14.75479 
1 1 1  -13   17   43 o   88.606   8.6027   51.104   8.9628   23.110   11.184  101.363   14.985   56.038   14.586  121.175   9.1256 -65.13702 17.20534 
1 1 1  -13   17   44 o   39.309   9.2459   5.6513   7.5148   20.661   10.189 -12.2554   11.128   53.037   13.979   25.582   12.106 27.45554 18.49173 
1 1 1  -13   17   45 o   68.575   10.603   35.207   9.4428   32.448   14.860   37.076   12.229   65.707   16.664   71.443   13.115 -5.735199 21.20614 
1 1 1  -13   17   46 o  100.307   7.3242   70.067   9.9422   68.914   13.663   71.365   14.495   99.491   10.134  101.124   10.577 -1.632698 14.64831 
1 1 1  -13   17   47 o  106.300   6.8366   81.885   9.2866   91.057   11.796   66.931   15.061  114.993   7.5695   97.606   11.387 17.38704 13.67328 
1 1 1  -13   17   48 o   88.447   7.2125   54.290   8.4089   53.053   10.669   56.317   13.662   87.423   9.0059   89.470   11.268 -2.046181 14.42494 
1 1 1  -13   17   49 o   87.720   7.9987   58.338   8.5163   67.727   10.829   43.119   13.787   98.949   8.0761   76.491   13.809 22.45795 15.99741 
1 1 1  -13   17   50 o  108.118   6.4313   79.647   8.9607   75.853   10.969   87.256   15.535  104.745   7.7279  111.490   10.282 -6.744728 12.86269 
1 1 1  -13   17   51 o   76.278   8.6747   41.794   8.1264   41.229   9.8471   43.001   14.389   76.770   9.4653   75.787   14.540 0.9828720 17.34930 
1 1 1  -13   17   52 o   88.707   8.8014   54.908   10.580   54.908   10.580   0.0000   0.0000   88.707   8.8014  ?   ?       ?      ? 
1 1 1  -13   17   53 o   69.222   8.7365   34.512   7.7490   33.119   9.7425   36.909   12.785   68.385   10.513   70.059   13.956 -1.674377 17.47305 
1 1 1  -13   17   54 o   70.755   10.595   41.445   10.077   21.431   15.613   55.736   13.194   53.117   18.103   88.393   11.014 -35.27683 21.19027 
1 1 1  -13   17   55 o   65.657   9.9947   29.876   7.7961   40.282   15.461   26.329   9.0279   71.669   16.289   59.646   11.587 12.02286 19.98932 
1 1 1  -13   17   56 o   85.059   6.7458   49.655   7.6551   62.733   12.072   40.860   9.8998   94.171   9.4601   75.946   9.6191 18.22434 13.49153 
1 1 1  -13   17   57 o   39.385   9.3633   9.4098   6.2041   17.903   9.7145   3.5593   8.0625   48.271   14.020   30.500   12.415 17.77090 18.72660 
1 1 1  -13   17   58 o   93.749   6.4031   63.076   8.0108   54.795   11.826   70.098   10.890   87.556   9.9675   99.943   8.0404 -12.38718 12.80622 
1 1 1  -13   17   59 o  117.102   5.7060   96.680   9.0161   93.300   13.226   99.614   12.323  114.956   8.4898  119.248   7.6261 -4.291176 11.41203 
1 1 1  -13   17   60 o   80.333   9.7780   53.455   8.6997   40.858   16.823   58.053   10.164   69.982   17.721   90.685   8.2711 -20.70390 19.55592 
1 1 1  -13   17   61 o   31.995   9.7118   0.3121   6.6215   8.2185   13.311  -2.2875   7.6328   39.364   15.979   24.627   11.043 14.73768 19.42353 
1 1 1  -13   17   62 o   52.328   10.533   20.890   7.2233   24.689   13.860   19.474   8.4636   54.511   16.958   50.145   12.499 4.365276 21.06698 
1 1 1  -13   17   63 o   45.777   10.509   12.976   7.1729   27.266   13.407   7.2457   8.4902   57.218   16.428   34.337   13.111 22.88010 21.01830 
1 1 1  -13   17   64 o   65.045   9.7524   36.352   7.8746   24.733   14.187   41.526   9.4666   54.081   17.204   76.009   9.1907 -21.92799 19.50473 
1 1 1  -13   17   65 o   35.366   10.452   4.4015   8.6535  -1.8042   12.735   9.7254   11.795   31.717   14.241   39.016   15.303 -7.299475 20.90376 
1 1 1  -13   17   66 o   44.102   11.505   14.347   9.2214   19.961   13.519   9.4615   12.611   49.008   16.842   39.196   15.677 9.812214 23.00945 
1 1 1  -13   17   67 f   39.070   10.142   5.2846   8.8404 -13.4213   12.726   22.731   12.290   26.195   12.548   51.945   15.938 -25.75031 20.28432 
1 1 1  -13   17   68 o   55.047   16.842   26.363   13.736   26.363   13.736   0.0000   0.0000   55.047   16.842  ?   ?       ?      ? 
1 1 1  -13   17   69 o   75.696   14.857   47.190   14.696   47.190   14.696   0.0000   0.0000   75.696   14.857  ?   ?       ?      ? 
1 1 1  -13   17   70 o   36.458   15.277   6.7413   12.696   6.7413   12.696   0.0000   0.0000   36.458   15.277  ?   ?       ?      ? 
1 1 1  -13   17   71 o   31.342   14.025  -0.1722   12.242  -0.1722   12.242   0.0000   0.0000   31.342   14.025  ?   ?       ?      ? 
1 1 1  -13   17   73 o   30.843   13.963  -0.8330   12.540  -0.8330   12.540   0.0000   0.0000   30.843   13.963  ?   ?       ?      ? 
1 1 1  -13   17   74 f   63.115   16.592   37.096   14.378   37.096   14.378   0.0000   0.0000   63.115   16.592  ?   ?       ?      ? 
1 1 1  -13   18    1 o   75.063   8.8819   40.868   8.5311   29.818   12.470   50.591   11.697   64.257   14.646   85.869   10.052 -21.61206 17.76384 
1 1 1  -13   18    2 f   76.549   7.1636   39.591   7.3723   35.112   9.7220   45.652   11.309   71.542   10.028   81.555   10.233 -10.01332 14.32727 
1 1 1  -13   18    3 o  103.524   6.0843   70.814   8.3336   52.764   10.821   97.129   13.065   87.799   9.0945  119.249   8.0850 -31.45009 12.16865 
1 1 1  -13   18    4 o  118.794   5.7082   98.109   9.0223  111.124   12.248   82.667   13.341  127.672   7.0793  109.916   8.9566 17.75604 11.41648 
1 1 1  -13   18    5 o   87.702   6.6446   53.182   7.7819   56.181   10.351   49.283   11.802   90.665   8.4245   84.739   10.278 5.926346 13.28918 
1 1 1  -13   18    6 o   63.658   8.5735   28.546   7.0134   27.339   9.0494   30.363   11.098   62.145   11.156   65.171   13.022 -3.025764 17.14700 
1 1 1  -13   18    8 o   80.083   7.0647   45.021   7.4790   53.130   10.221   35.677   10.972   88.157   8.5561   72.009   11.244 16.14815 14.12935 
1 1 1  -13   18    9 o   99.986   8.6303   72.140   9.8353   75.180   11.349   62.969   19.712  104.926   7.9816   95.046   15.304 9.880203 17.26058 
1 1 1  -13   18   10 o   84.621   10.176   56.884   9.2502   62.579   10.668   39.634   18.568   95.705   8.2259   73.537   18.615 22.16740 20.35153 
1 1 1  -13   18   11 o   86.121   7.5392   53.491   7.5236   56.178   8.7635   45.959   14.672   90.770   7.1244   81.472   13.289 9.297997 15.07840 
1 1 1  -13   18   12 o   82.022   8.1305   50.236   7.4082   53.712   8.6516   40.682   14.343   88.749   7.1937   75.296   14.583 13.45255 16.26109 
1 1 1  -13   18   13 o   54.760   9.7087   19.888   6.6059   17.603   7.7408   26.012   12.673   49.572   11.710   59.947   15.489 -10.37563 19.41734 
1 1 1  -13   18   14 o  101.588   6.4412   66.574   7.9948   61.724   9.3056   80.244   15.623   95.130   7.2185  108.046   10.670 -12.91599 12.88233 
1 1 1  -13   18   15 o   91.287   7.0017   55.037   7.7968   52.442   9.1107   62.138   15.071   87.645   7.6709   94.930   11.716 -7.285065 14.00343 
1 1 1  -13   18   16 o   89.715   7.2268   55.532   7.9317   55.881   9.4028   54.671   14.769   90.469   7.6697   88.961   12.251 1.508232 14.45364 
1 1 1  -13   18   17 o  151.700   7.8820  157.209   16.203  157.209   16.203   0.0000   0.0000  151.700   7.8820  ?   ?       ?      ? 
1 1 1  -13   18   18 o  168.699   7.6873  194.364   17.574  194.364   17.574   0.0000   0.0000  168.699   7.6873  ?   ?       ?      ? 
1 1 1  -13   18   19 o   82.427   8.5906   52.499   7.8970   58.377   9.3582   37.961   14.718   92.469   7.4682   72.385   15.473 20.08436 17.18125 
1 1 1  -13   18   20 o  118.816   6.2431   99.197   9.0098  102.628   10.712   90.904   16.657  122.716   6.4416  114.915   10.696 7.801285 12.48627 
1 1 1  -13   18   21 o  165.949   5.7394  189.878   11.509  191.792   13.548  184.913   21.816  167.820   5.9573  164.077   9.8118 3.742523 11.47872 
1 1 1  -13   18   22 o   98.690   6.6929   66.214   8.2611   65.204   9.8978   68.531   14.999   97.701   7.4758   99.678   11.104 -1.976944 13.38590 
1 1 1  -13   18   23 o   80.714   8.3938   44.367   9.1077   39.230   12.010   51.320   13.972   75.316   11.767   86.112   11.974 -10.79649 16.78768 
1 1 1  -13   18   24 o   62.089   9.9863   28.896   8.7396   41.288   11.820   13.948   12.981   77.312   11.282   46.867   16.481 30.44452 19.97262 
1 1 1  -13   18   25 o  126.224   6.2589  107.385   9.8197  104.608   11.679  114.083   18.138  123.781   6.9627  128.667   10.403 -4.885490 12.51786 
1 1 1  -13   18   26 o  155.361   5.9059  169.869   11.221  176.382   13.414  154.694   20.476  160.851   6.1541  149.870   10.082 10.98021 11.81178 
1 1 1  -13   18   27 o  135.313   5.9869  120.767   10.064  114.113   11.891  137.568   18.894  129.279   6.7874  141.346   9.8643 -12.06706 11.97384 
1 1 1  -13   18   28 o  101.175   6.7064   67.495   8.5521   62.861   10.199   78.472   15.696   95.812   7.8550  106.538   10.872 -10.72630 13.41272 
1 1 1  -13   18   29 o  127.425   5.9759  104.953   9.6063   94.931   11.415  129.285   17.785  117.831   7.1486  137.019   9.5782 -19.18739 11.95174 
1 1 1  -13   18   30 f   68.043   9.3272   36.178   7.7125   41.749   9.4065   24.750   13.472   77.928   8.9074   58.157   16.390 19.77085 18.65441 
1 1 1  -13   18   31 o  110.166   8.3192   83.321   12.420   83.321   12.420   0.0000   0.0000  110.166   8.3192  ?   ?       ?      ? 
1 1 1  -13   18   32 f   96.684   9.0423   64.365   11.847   64.365   11.847   0.0000   0.0000   96.684   9.0423  ?   ?       ?      ? 
1 1 1  -13   18   33 o   91.044   7.9478   60.797   9.1902   70.309   11.792   46.083   14.667  101.096   8.6076   80.991   13.363 20.10502 15.89552 
1 1 1  -13   18   34 o   98.182   7.3601   65.660   9.5836   61.454   12.192   72.463   15.504   94.318   9.5387  102.046   11.212 -7.727554 14.72025 
1 1 1  -13   18   35 o  158.362   6.1109  165.615   12.670  147.072   15.672  200.604   21.527  146.309   7.9042  170.415   9.3217 -24.10623 12.22170 
1 1 1  -13   18   36 o  128.380   6.7126  116.286   11.260  123.910   14.448  104.492   17.971  134.244   7.9420  122.517   10.824 11.72771 13.42529 
1 1 1  -13   18   37 o   74.988   8.0248   38.452   7.8274   36.394   9.6792   42.341   13.307   72.433   9.8610   77.544   12.663 -5.111702 16.04959 
1 1 1  -13   18   38 o   98.289   6.5662   61.654   8.3238   50.805   10.056   85.268   14.835   85.774   8.6512  110.803   9.8802 -25.02987 13.13243 
1 1 1  -13   18   39 o   85.890   7.0891   46.876   7.8307   37.891   9.4277   66.864   14.062   73.907   9.4132   97.873   10.602 -23.96602 14.17818 
1 1 1  -13   18   40 o   89.656   7.3107   58.236   8.2453   62.744   10.204   49.752   13.996   95.396   7.8932   83.916   12.308 11.47925 14.62147 
1 1 1  -13   18   41 o   83.638   7.2772   46.490   7.9686   40.205   9.8414   58.455   13.579   76.009   9.5545   91.266   10.979 -15.25699 14.55432 
1 1 1  -13   18   42 o   82.835   8.0065   47.962   8.9506   43.788   12.026   53.145   13.401   78.847   11.256   86.824   11.390 -7.977295 16.01301 
1 1 1  -13   18   43 o   56.242   10.257   24.030   8.1323   31.382   11.244   15.966   11.776   65.201   13.179   47.283   15.721 17.91802 20.51416 
1 1 1  -13   18   44 o   76.119   8.4645   43.536   7.8853   47.633   9.8356   36.167   13.193   82.751   8.7709   69.488   14.480 13.26327 16.92896 
1 1 1  -13   18   45 o   64.185   9.1679   31.668   7.5004   35.834   9.4686   24.653   12.289   71.489   9.7738   56.881   15.514 14.60802 18.33577 
1 1 1  -13   18   46 o   48.966   9.8497   16.857   6.8506   12.089   8.7699   24.320   10.972   41.258   13.559   56.673   14.290 -15.41452 19.69935 
1 1 1  -13   18   47 o   64.599   9.2700   33.576   7.6377   41.013   9.6666   21.220   12.460   76.464   9.3290   52.734   16.022 23.73007 18.54006 
1 1 1  -13   18   48 o   43.010   15.083   12.860   10.868   12.860   10.868   0.0000   0.0000   43.010   15.083  ?   ?       ?      ? 
1 1 1  -13   18   49 o   49.760   15.217   18.875   11.215   18.875   11.215   0.0000   0.0000   49.760   15.217  ?   ?       ?      ? 
1 1 1  -13   18   50 o   43.392   10.280   12.596   7.7459   21.051   10.887   3.9281   11.023   52.234   14.738   34.549   14.336 17.68502 20.56053 
1 1 1  -13   18   51 o   25.184   8.1903  -5.7805   6.2721  -7.7612   8.0928  -2.8014   9.9252   22.201   10.450   28.167   12.615 -5.966341 16.38061 
1 1 1  -13   18   52 o   64.016   9.0395   31.949   7.3752   35.631   9.3359   25.838   12.029   70.758   9.7364   57.273   15.233 13.48521 18.07904 
1 1 1  -13   18   53 o   48.541   9.9663   18.646   6.9417   20.706   8.6992   15.036   11.518   52.118   12.482   44.965   15.541 7.153454 19.93251 
1 1 1  -13   18   54 o   38.686   9.8711   9.2452   6.5852   5.7071   8.3865   14.935   10.635   32.899   12.903   44.473   14.942 -11.57369 19.74212 
1 1 1  -13   18   55 o   36.480   9.7035   5.3081   7.1166  -2.9063   9.4210   16.224   10.860   27.108   12.203   45.852   15.090 -18.74422 19.40699 
1 1 1  -13   18   56 o   33.578   9.5898   4.0276   6.5367   0.8672   8.0797   10.016   11.121   27.823   11.942   39.333   15.009 -11.51020 19.17964 
1 1 1  -13   18   57 o   32.060   9.7001   2.1090   7.5031   2.9886   10.344   1.1325   10.900   32.422   13.698   31.698   13.738 0.7237225 19.40013 
1 1 1  -13   18   58 o   52.541   10.065   22.370   7.9785   32.269   10.961   11.212   11.636   64.526   12.984   40.556   15.381 23.96962 20.12922 
1 1 1  -13   18   59 o   59.203   10.292   28.056   8.1480   26.814   10.835   29.674   12.362   58.031   13.950   60.375   15.137 -2.344776 20.58498 
1 1 1  -13   18   60 o   50.369   11.657   20.163   9.1987   27.210   14.202   15.070   12.073   56.511   17.091   44.228   15.858 12.28282 23.31437 
1 1 1  -13   18   61 o   33.079   9.7010   4.8233   6.6573   2.6443   12.745   5.6409   7.8071   34.379   14.878   31.778   12.454 2.601130 19.40194 
1 1 1  -13   18   62 o   40.061   10.843   10.494   8.6590   3.1913   12.895   16.489   11.685   34.779   15.008   45.343   15.654 -10.56400 21.68625 
1 1 1  -13   18   63 o   29.177   9.4074  -4.2934   8.2324  -0.1226   12.212  -7.7678   11.146   31.893   14.156   26.460   12.393 5.433054 18.81480 
1 1 1  -13   18   64 o   39.578   15.772   10.289   12.717   10.289   12.717   0.0000   0.0000   39.578   15.772  ?   ?       ?      ? 
1 1 1  -13   18   65 o   38.783   15.742   9.3939   12.919   9.3939   12.919   0.0000   0.0000   38.783   15.742  ?   ?       ?      ? 
1 1 1  -13   18   66 o   38.144   15.527   9.0870   12.614   9.0870   12.614   0.0000   0.0000   38.144   15.527  ?   ?       ?      ? 
1 1 1  -13   18   67 o   51.562   17.098   24.102   13.932   24.102   13.932   0.0000   0.0000   51.562   17.098  ?   ?       ?      ? 
1 1 1  -13   18   69 o   54.342   16.820   27.542   13.655   27.542   13.655   0.0000   0.0000   54.342   16.820  ?   ?       ?      ? 
1 1 1  -13   18   70 o   34.703   14.764   6.2959   12.154   6.2959   12.154   0.0000   0.0000   34.703   14.764  ?   ?       ?      ? 
1 1 1  -13   19    1 o  160.408   5.2794  175.533   11.416  170.366   15.289  182.044   17.164  157.819   7.1489  162.998   7.7705 -5.179581 10.55876 
1 1 1  -13   19    2 o  148.736   5.3821  151.584   10.767  152.205   14.394  150.795   16.223  149.181   7.1200  148.292   8.0730 0.8890381 10.76418 
1 1 1  -13   19    3 o   92.095   9.8107   65.615   9.6728   70.455   11.147   50.858   19.462  101.361   8.1154   82.829   17.865 18.53168 19.62140 
1 1 1  -13   19    4 o   73.048   10.057   54.009   9.0407   69.355   10.407   6.7950   18.253  100.638   7.6308   45.457   18.611 55.18104 20.11488 
1 1 1  -13   19    5 o   94.460   8.6242   59.171   9.3470   56.723   10.593   67.774   19.862   90.885   8.6011   98.034   14.951 -7.148315 17.24849 
1 1 1  -13   19    6 o   61.289   8.7647   30.188   7.1721   43.644   9.4066   11.504   11.085   79.709   8.7085   42.869   15.213 36.83902 17.52945 
1 1 1  -13   19    7 o   77.411   7.3001   40.953   7.6033   37.914   10.048   45.025   11.630   74.131   10.002   80.691   10.636 -6.559227 14.60026 
1 1 1  -13   19    8 o   98.006   6.2919   65.780   8.3220   63.500   11.195   68.595   12.442   96.163   8.5906   99.849   9.1952 -3.686470 12.58375 
1 1 1  -13   19    9 o   88.753   6.7106   53.541   8.0164   46.626   10.682   62.453   12.128   82.266   9.5822   95.240   9.3972 -12.97385 13.42111 
1 1 1  -13   19   10 o  106.633   7.1209   78.018   9.6856   77.119   11.821   79.855   16.894  106.028   8.2275  107.238   11.625 -1.210358 14.24181 
1 1 1  -13   19   11 o  142.196   6.1786  139.408   10.368  139.914   12.028  137.943   20.455  143.192   6.1985  141.199   10.690 1.992157 12.35722 
1 1 1  -13   19   12 o  161.008   5.8223  173.358   11.182  168.547   12.946  187.486   22.187  157.179   6.0782  164.837   9.9324 -7.657318 11.64465 
1 1 1  -13   19   13 o  119.771   6.3893   97.319   9.1523   95.797   10.644  101.636   17.928  118.416   6.6329  121.125   10.922 -2.708679 12.77857 
1 1 1  -13   19   14 o   68.244   8.8611   31.374   7.1766   29.359   8.3554   37.043   14.014   65.275   9.4458   71.214   14.995 -5.939041 17.72218 
1 1 1  -13   19   15 o   33.700   9.5702   1.6238   6.1660  -1.5780   7.2131   10.313   11.883   25.131   11.028   42.270   15.644 -17.13910 19.14034 
1 1 1  -13   19   16 o   87.393   8.2594   58.767   8.0225   64.721   9.4804   43.748   15.057   97.245   7.1941   77.541   14.870 19.70368 16.51886 
1 1 1  -13   19   17 o   83.515   7.2244   43.731   7.5130   37.684   8.7882   60.153   14.482   74.016   8.7617   93.015   11.489 -18.99850 14.44883 
1 1 1  -13   19   18 o   99.503   6.7242   65.995   8.3314   62.669   9.8734   74.217   15.526   95.616   7.6200  103.390   11.081 -7.773888 13.44832 
1 1 1  -13   19   19 o   92.800   8.2546   62.643   9.8837   73.396   12.979   47.797   15.250  103.171   9.2829   82.430   13.652 20.74123 16.50929 
1 1 1  -13   19   20 o   78.947   9.1932   44.892   9.3765   47.472   12.291   41.301   14.503   82.671   10.971   75.223   14.755 7.447861 18.38641 
1 1 1  -13   19   21 o   44.708   10.250   13.641   6.7561   13.571   8.1288   13.799   12.149   43.587   12.872   45.829   15.954 -2.241665 20.49949 
1 1 1  -13   19   22 o  115.905   6.2622   87.495   8.9809   80.794   10.541  105.244   17.155  108.591   7.1629  123.219   10.274 -14.62782 12.52440 
1 1 1  -13   19   23 o  132.921   6.1700  119.911   10.071  117.452   11.893  126.146   18.936  131.005   6.6991  134.838   10.363 -3.832626 12.33994 
1 1 1  -13   19   24 o   76.277   11.601   40.638   11.992   40.638   11.992   0.0000   0.0000   76.277   11.601  ?   ?       ?      ? 
1 1 1  -13   19   25 o  117.026   8.7601   94.470   13.892   94.470   13.892   0.0000   0.0000  117.026   8.7601  ?   ?       ?      ? 
1 1 1  -13   19   26 o  131.571   6.3611  112.915   9.9722  106.144   11.465  133.952   20.209  124.467   6.7975  138.675   10.754 -14.20795 12.72216 
1 1 1  -13   19   27 o   98.954   7.4689   67.270   10.015   67.270   10.015   0.0000   0.0000   98.954   7.4689  ?   ?       ?      ? 
1 1 1  -13   19   28 o   75.664   8.9286   43.355   7.8088   46.437   9.2686   35.818   14.496   82.055   8.3354   69.274   15.792 12.78129 17.85723 
1 1 1  -13   19   29 o   88.959   7.2515   55.397   8.0404   55.854   9.6731   54.375   14.462   90.043   7.9275   87.875   12.145 2.167534 14.50308 
1 1 1  -13   19   30 o  125.506   6.2119  109.804   9.6035  111.002   11.457  106.975   17.608  127.223   6.6457  123.788   10.497 3.435043 12.42375 
1 1 1  -13   19   31 o   97.389   6.7513   63.302   8.3089   58.996   9.9362   73.314   15.151   92.487   7.9279  102.292   10.930 -9.805634 13.50263 
1 1 1  -13   19   32 o   69.387   8.7018   36.094   7.3425   38.811   8.9790   30.609   12.757   74.821   8.8556   63.952   14.982 10.86926 17.40364 
1 1 1  -13   19   33 f   59.289   9.1458   26.272   6.9599   28.105   8.5990   22.791   11.851   63.437   10.003   55.141   15.314 8.295982 18.29156 
1 1 1  -13   19   34 o  101.640   6.3133   66.641   8.2163   57.239   9.8572   88.045   14.872   90.988   7.9944  112.292   9.7734 -21.30491 12.62655 
1 1 1  -13   19   35 o   52.187   9.7369   20.659   6.8223   21.995   8.4102   18.088   11.666   54.799   11.682   49.576   15.581 5.222740 19.47390 
1 1 1  -13   19   36 o   40.063   9.8817   10.825   6.5148   12.090   8.1073   8.5205   10.945   41.113   12.997   39.013   14.889 2.099754 19.76345 
1 1 1  -13   19   37 o   49.670   9.0639   14.098   6.6778   4.0253   8.1975   33.970   11.514   31.533   12.630   67.806   13.003 -36.27245 18.12772 
1 1 1  -13   19   38 o   81.160   10.430   49.302   10.676   47.691   17.836   50.201   13.327   78.386   17.258   83.935   11.717 -5.549118 20.85954 
1 1 1  -13   19   39 o   49.707   11.413   18.864   9.4421   6.2837   16.256   25.270   11.599   41.833   17.387   57.580   14.788 -15.74732 22.82574 
1 1 1  -13   19   40 o   73.674   8.8283   39.279   8.6099   36.010   11.572   43.332   12.886   69.732   12.715   77.616   12.251 -7.883514 17.65668 
1 1 1  -13   19   41 o   73.577   9.2216   41.169   8.7197   49.269   11.782   31.361   12.965   83.349   10.432   63.805   15.210 19.54417 18.44329 
1 1 1  -13   19   42 o   67.012   9.5086   32.638   8.4469   25.014   11.160   42.862   12.924   57.098   14.420   76.925   12.398 -19.82770 19.01712 
1 1 1  -13   19   43 o   85.372   7.2608   49.677   8.0249   44.969   9.8016   59.249   13.976   79.944   9.0475   90.800   11.359 -10.85615 14.52154 
1 1 1  -13   19   44 o   84.559   8.2315   54.119   8.3791   57.930   10.271   46.533   14.489   90.924   8.3357   78.194   14.197 12.72929 16.46291 
1 1 1  -13   19   45 o   70.529   9.6830   35.333   9.2547   35.333   9.2547   0.0000   0.0000   70.529   9.6830  ?   ?       ?      ? 
1 1 1  -13   19   46 o   47.832   10.252   16.797   6.9142   14.771   8.4671   20.851   11.978   44.151   13.161   51.513   15.722 -7.362259 20.50346 
1 1 1  -13   19   47 o   35.810   9.8070   7.4261   6.6249   8.5245   8.1249   5.2472   11.443   35.886   12.991   35.734   14.695 0.1522293 19.61401 
1 1 1  -13   19   48 o   67.967   8.5012   31.235   7.3469   23.489   8.9420   47.327   12.889   55.590   12.205   80.345   11.838 -24.75572 17.00242 
1 1 1  -13   19   49 o   78.192   8.6581   47.999   8.1013   52.693   9.9742   38.900   13.887   86.297   8.5290   70.086   15.070 16.21080 17.31612 
1 1 1  -13   19   50 o   79.429   7.6853   42.951   7.8693   36.853   9.5168   56.136   13.993   71.609   9.8071   87.248   11.835 -15.63841 15.37055 
1 1 1  -13   19   51 o   46.339   10.010   17.357   6.9711   20.109   8.6000   12.085   11.904   50.998   12.533   41.681   15.612 9.316685 20.02047 
1 1 1  -13   19   52 o   33.967   9.6283   5.4210   6.5682   3.5967   8.2991   8.4793   10.746   30.474   12.522   37.460   14.630 -6.985773 19.25668 
1 1 1  -13   19   53 o   60.385   9.4693   30.614   7.4572   35.879   9.2179   20.642   12.686   70.520   9.6458   50.251   16.298 20.26890 18.93858 
1 1 1  -13   19   54 o   52.231   10.468   22.494   7.9148   26.539   10.579   17.353   11.928   57.824   13.709   46.638   15.823 11.18514 20.93638 
1 1 1  -13   19   55 o   38.203   10.259   8.0494   7.5655   2.0513   9.9309   16.345   11.679   30.981   13.266   45.426   15.652 -14.44476 20.51765 
1 1 1  -13   19   56 o   70.707   9.4552   37.108   8.7273   27.839   11.141   51.830   14.041   58.768   14.157   82.646   12.537 -23.87821 18.91036 
1 1 1  -13   19   57 o   59.804   10.462   27.944   8.4134   20.845   10.791   38.948   13.436   50.391   14.817   69.217   14.774 -18.82554 20.92406 
1 1 1  -13   19   58 o   45.822   10.535   17.193   8.1000   23.582   10.574   8.1202   12.601   53.706   14.282   37.939   15.490 15.76655 21.06939 
1 1 1  -13   19   59 o   28.761   13.408  -7.1983   12.798  -7.1983   12.798   0.0000   0.0000   28.761   13.408  ?   ?       ?      ? 
1 1 1  -13   19   60 o   25.760   12.255 -10.7216   11.705 -10.7216   11.705   0.0000   0.0000   25.760   12.255  ?   ?       ?      ? 
1 1 1  -13   19   61 o   31.041   13.965  -1.1716   12.313  -1.1716   12.313   0.0000   0.0000   31.041   13.965  ?   ?       ?      ? 
1 1 1  -13   19   62 f   32.775   14.375   2.1032   12.240   2.1032   12.240   0.0000   0.0000   32.775   14.375  ?   ?       ?      ? 
1 1 1  -13   19   64 o   32.789   14.518   1.9702   12.768   1.9702   12.768   0.0000   0.0000   32.789   14.518  ?   ?       ?      ? 
1 1 1  -13   19   65 o   54.354   17.132   28.076   14.095   28.076   14.095   0.0000   0.0000   54.354   17.132  ?   ?       ?      ? 
1 1 1  -13   19   66 o   55.695   17.275   30.158   14.395   30.158   14.395   0.0000   0.0000   55.695   17.275  ?   ?       ?      ? 
1 1 1  -13   20    1 o   48.042   9.2710   17.521   6.2929   20.735   8.0091   12.334   10.173   53.397   11.414   42.688   14.612 10.70983 18.54202 
1 1 1  -13   20    2 o   83.004   6.6934   46.303   7.4018   39.147   9.4830   57.458   11.841   75.097   9.3184   90.911   9.6112 -15.81377 13.38687 
1 1 1  -13   20    3 o   70.053   7.9918   33.066   7.1807   23.556   9.1355   48.439   11.615   56.782   12.233   83.325   10.287 -26.54329 15.98353 
1 1 1  -13   20    4 o   48.758   9.7082   17.278   6.5714   16.687   8.4093   18.204   10.532   47.715   12.758   49.800   14.636 -2.085003 19.41639 
1 1 1  -13   20    5 o   57.608   8.9857   25.444   6.9261   31.559   8.9936   16.531   10.857   67.344   9.8550   47.873   15.028 19.47074 17.97148 
1 1 1  -13   20    6 o   91.730   7.4350   53.397   8.6771   44.237   10.324   75.441   16.015   79.796   9.5470  103.663   11.400 -23.86671 14.86990 
1 1 1  -13   20    7 o  103.696   7.2964   77.388   9.4487   81.826   11.549   68.403   16.432  108.971   7.8208   98.422   12.320 10.54910 14.59279 
1 1 1  -13   20    8 o   74.710   8.5588   36.323   8.1097   27.807   9.8647   54.078   14.244   61.820   12.208   87.600   11.999 -25.77934 17.11762 
1 1 1  -13   20    9 o   63.348   9.5753   26.551   7.6872   19.393   9.3361   41.620   13.546   51.299   13.314   75.397   13.765 -24.09822 19.15053 
1 1 1  -13   20   10 o   65.089   9.1851   26.374   7.7194   15.779   9.3332   49.316   13.734   46.568   13.803   83.609   12.121 -37.04123 18.37015 
1 1 1  -13   20   11 o   75.915   8.6185   37.468   8.2905   28.312   10.091   56.484   14.542   62.324   12.385   89.507   11.989 -27.18319 17.23699 
1 1 1  -13   20   12 o   42.957   10.576   11.760   7.2224   10.350   8.8505   14.568   12.496   39.504   13.625   46.410   16.178 -6.905857 21.15105 
1 1 1  -13   20   13 o   51.107   11.519   15.014   9.8478   32.823   15.504   2.9702   12.750   65.663   17.214   36.552   15.313 29.11163 23.03878 
1 1 1  -13   20   14 o   41.044   10.974   2.9021   9.3839   21.095   14.723  -9.5458   12.178   53.765   17.564   28.324   13.163 25.44083 21.94852 
1 1 1  -13   20   15 o   90.318   9.3290   57.471   11.313   62.633   17.463   53.738   14.851   93.579   13.771   87.057   12.589 6.521904 18.65797 
1 1 1  -13   20   16 o   80.197   8.0984   43.393   8.5114   38.370   10.543   52.795   14.423   74.048   10.507   86.345   12.327 -12.29650 16.19678 
1 1 1  -13   20   17 o   78.088   8.2292   41.992   8.3750   39.471   10.373   46.713   14.195   75.159   10.184   81.017   12.929 -5.857346 16.45841 
1 1 1  -13   20   18 o   88.623   7.7710   55.253   8.8056   55.413   10.823   54.940   15.144   89.348   8.9391   87.898   12.714 1.449684 15.54204 
1 1 1  -13   20   19 o  108.551   7.2105   85.932   9.8674   93.887   12.298   71.556   16.533  116.618   7.7819  100.484   12.141 16.13440 14.42107 
1 1 1  -13   20   20 o  104.917   6.9192   72.775   9.4331   63.497   11.531   91.552   16.403   95.611   8.8994  114.223   10.597 -18.61125 13.83841 
1 1 1  -13   20   21 o   90.267   7.6446   55.557   8.9690   51.465   11.042   63.491   15.377   85.911   9.4844   94.624   11.992 -8.712944 15.28926 
1 1 1  -13   20   22 o  116.396   8.0802   93.778   12.745   93.778   12.745   0.0000   0.0000  116.396   8.0802  ?   ?       ?      ? 
1 1 1  -13   20   23 o   98.381   8.7243   67.269   11.631   67.269   11.631   0.0000   0.0000   98.381   8.7243  ?   ?       ?      ? 
1 1 1  -13   20   24 o   90.332   7.5807   54.886   8.9867   47.704   11.144   68.243   15.197   82.500   9.9678   98.164   11.424 -15.66460 15.16145 
1 1 1  -13   20   25 f  111.133   6.8891   85.020   10.025   80.948   12.524   92.282   16.726  107.905   8.5648  114.362   10.793 -6.456436 13.77815 
1 1 1  -13   20   26 f   95.921   7.6011   64.445   9.5424   62.966   11.981   67.011   15.781   94.911   9.3153   96.931   12.014 -2.020241 15.20220 
1 1 1  -13   20   27 o   88.900   8.8903   62.455   9.3987   78.252   12.186   39.263   14.766  106.047   8.4799   71.753   15.628 34.29429 17.78052 
1 1 1  -13   20   28 o   93.301   7.0351   59.376   8.3123   56.187   9.9913   66.546   14.982   89.905   8.2007   96.696   11.433 -6.790741 14.07016 
1 1 1  -13   20   29 o  105.630   6.6654   79.179   8.7009   80.622   10.435   75.888   15.762  107.997   7.1300  103.262   11.264 4.734581 13.33071 
1 1 1  -13   20   30 o   30.058   8.9375   1.4712   6.3211   5.1017   7.8183  -5.3807   10.741   32.065   12.491   28.050   12.786 4.014486 17.87509 
1 1 1  -13   20   31 o   50.667   14.555   19.498   10.521   19.498   10.521   0.0000   0.0000   50.667   14.555  ?   ?       ?      ? 
1 1 1  -13   20   32 o   44.386   14.773   14.316   10.397   14.316   10.397   0.0000   0.0000   44.386   14.773  ?   ?       ?      ? 
1 1 1  -13   20   33 o   33.641   9.0840   5.3212   6.3855   10.952   7.8634  -5.5816   10.942   39.150   12.838   28.131   12.855 11.01882 18.16796 
1 1 1  -13   20   34 o   47.746   10.765   16.917   7.8182   14.590   10.391   19.954   11.870   44.560   14.765   50.931   15.669 -6.371010 21.52926 
1 1 1  -13   20   35 o   61.675   9.8783   29.956   8.3078   37.405   11.061   20.314   12.584   72.101   11.321   51.250   16.191 20.85086 19.75669 
1 1 1  -13   20   36 o   45.093   9.9397   15.341   6.5012   15.960   7.8398   13.977   11.633   45.994   12.328   44.193   15.596 1.801762 19.87935 
1 1 1  -13   20   37 o   48.044   9.9157   17.324   6.5465   16.748   7.9270   18.559   11.610   47.040   12.297   49.047   15.558 -2.007118 19.83134 
1 1 1  -13   20   38 o   45.362   9.9774   14.971   6.4980   13.319   7.9618   18.264   11.245   42.133   12.808   48.590   15.301 -6.456245 19.95470 
1 1 1  -13   20   39 o   30.191   9.0345   2.1502   6.1550   3.0359   7.5456   0.3888   10.640   29.214   11.964   31.167   13.541 -1.953564 18.06909 
1 1 1  -13   20   40 o   52.667   9.8165   20.231   6.7064   17.609   8.0613   26.123   12.086   48.034   12.324   57.300   15.283 -9.265778 19.63298 
1 1 1  -13   20   41 o   50.792   12.158   19.682   8.2571   19.682   8.2571   0.0000   0.0000   50.792   12.158  ?   ?       ?      ? 
1 1 1  -13   20   42 o   54.264   11.947   22.393   8.5475   22.393   8.5475   0.0000   0.0000   54.264   11.947  ?   ?       ?      ? 
1 1 1  -13   20   43 o   80.214   8.3673   49.104   7.9023   51.005   9.4619   44.719   14.368   84.967   8.2176   75.461   14.578 9.506805 16.73469 
1 1 1  -13   20   44 o   79.496   8.5201   49.577   7.9995   53.629   9.7277   41.113   14.059   87.061   8.2452   71.931   14.913 15.12951 17.04023 
1 1 1  -13   20   45 o   59.920   9.7276   26.554   7.3807   22.802   8.9742   34.396   12.974   54.340   12.453   65.500   14.947 -11.16000 19.45527 
1 1 1  -13   20   46 o   59.436   9.4237   30.728   7.5390   38.505   9.3297   16.096   12.798   73.189   9.4067   45.683   16.332 27.50675 18.84744 
1 1 1  -13   20   47 o   50.899   9.7065   22.578   7.3303   28.525   8.9107   10.128   12.893   61.542   11.093   40.256   15.932 21.28603 19.41309 
1 1 1  -13   20   48 f   76.240   8.4180   43.284   7.7630   42.417   9.3052   45.269   14.080   76.928   8.9260   75.552   14.275 1.376129 16.83596 
1 1 1  -13   20   49 o   57.239   9.7452   26.634   7.1349   27.720   8.6086   24.252   12.751   60.647   10.874   53.832   16.175 6.815147 19.49039 
1 1 1  -13   20   50 o   34.969   9.8882   4.4811   7.3538  -1.7886   9.6061   13.357   11.429   27.770   12.425   42.167   15.385 -14.39705 19.77641 
1 1 1  -13   20   51 o   42.421   10.636   13.923   7.6782   15.307   10.076   12.006   11.857   43.904   14.539   40.937   15.526 2.967342 21.27113 
1 1 1  -13   20   52 o   34.259   9.8888   5.8764   7.1946   5.5469   9.4860   6.3226   11.039   33.217   13.487   35.300   14.466 -2.083652 19.77750 
1 1 1  -13   20   53 o   41.943   10.382   11.918   8.6342  -3.3068   13.218   23.250   11.404   31.157   14.195   52.728   15.154 -21.57095 20.76440 
1 1 1  -13   20   54 o   54.014   11.563   25.055   9.0969   26.545   14.148   24.006   11.878   54.843   17.145   53.185   15.519 1.658104 23.12556 
1 1 1  -13   20   55 o   33.401   10.180   2.9903   8.2960   5.8225   12.709   0.8872   10.951   35.932   15.182   30.870   13.567 5.061724 20.36061 
1 1 1  -13   20   56 o   31.495   14.078  -0.2573   12.299  -0.2573   12.299   0.0000   0.0000   31.495   14.078  ?   ?       ?      ? 
1 1 1  -13   20   57 o   36.833   15.497   7.1517   13.150   7.1517   13.150   0.0000   0.0000   36.833   15.497  ?   ?       ?      ? 
1 1 1  -13   20   59 o   24.489   11.916 -16.3078   12.636 -16.3078   12.636   0.0000   0.0000   24.489   11.916  ?   ?       ?      ? 
1 1 1  -13   20   60 o   30.103   13.783  -2.2975   12.661  -2.2975   12.661   0.0000   0.0000   30.103   13.783  ?   ?       ?      ? 
1 1 1  -13   20   61 o   29.766   13.512  -1.0010   11.838  -1.0010   11.838   0.0000   0.0000   29.766   13.512  ?   ?       ?      ? 
1 1 1  -13   21    1 o   63.621   8.5031   29.207   6.9786   25.467   9.0388   34.726   10.981   58.684   11.775   68.558   12.270 -9.873383 17.00616 
1 1 1  -13   21    2 o   66.838   8.3194   33.382   7.1074   36.822   9.2520   28.428   11.102   72.359   9.4354   61.318   13.705 11.04042 16.63882 
1 1 1  -13   21    3 o   99.998   6.1354   68.674   8.2137   62.326   10.656   77.965   12.893   94.532   8.3184  105.465   9.0209 -10.93251 12.27082 
1 1 1  -13   21    4 o   53.304   9.2540   20.257   6.5953   15.154   8.4137   28.388   10.622   45.088   13.034   61.520   13.140 -16.43183 18.50800 
1 1 1  -13   21    5 o   38.411   9.6220   9.4091   6.1069   7.8509   7.6977   12.055   10.031   35.114   12.655   41.708   14.498 -6.593536 19.24403 
1 1 1  -13   21    6 o   33.991   9.3078   6.0942   6.0287   6.7629   7.6828   5.0227   9.7255   33.782   12.564   34.200   13.736 -0.4179306 18.61560 
1 1 1  -13   21    7 o   48.945   11.075   16.380   8.0869   24.560   13.733   12.038   10.006   56.213   16.762   41.676   14.480 14.53737 22.15048 
1 1 1  -13   21    8 o   50.193   11.085   19.247   8.3149   16.586   13.625   20.827   10.496   48.074   16.886   52.312   14.367 -4.237568 22.17070 
1 1 1  -13   21    9 f   45.559   11.677   13.294   9.4831   19.933   14.006   7.6742   12.886   51.451   17.147   39.667   15.854 11.78412 23.35301 
1 1 1  -13   21   10 o   97.457   7.1089   68.178   8.0391   69.295   9.2978   64.870   16.000  100.137   6.8518   94.778   12.458 5.359329 14.21772 
1 1 1  -13   21   11 o   67.785   8.9322   31.894   6.8563   30.197   7.8028   37.643   14.363   65.692   8.7651   69.877   15.566 -4.185463 17.86448 
1 1 1  -13   21   12 f   64.881   9.0227   29.099   6.8244   27.115   7.8411   35.293   13.858   62.114   9.3154   67.647   15.455 -5.532150 18.04538 
1 1 1  -13   21   13 o   81.035   8.1414   47.486   7.3152   47.441   8.3816   47.628   14.986   82.682   7.4805   79.389   14.463 3.293213 16.28279 
1 1 1  -13   21   14 f  105.162   7.0807   80.467   8.3334   82.458   9.5138   73.905   17.273  109.337   6.4210  100.987   12.622 8.350189 14.16146 
1 1 1  -13   21   15 o   98.746   6.9584   65.884   7.9770   63.164   9.0962   74.942   16.600   95.517   7.0274  101.975   12.012 -6.458076 13.91672 
1 1 1  -13   21   16 f   74.457   9.1854   47.546   7.4037   54.305   8.6366   28.810   14.378   88.508   7.2008   60.407   16.901 28.10026 18.37073 
1 1 1  -13   21   17 o   50.806   11.277   19.136   7.5615   19.136   7.5615   0.0000   0.0000   50.806   11.277  ?   ?       ?      ? 
1 1 1  -13   21   18 f   75.271   8.2259   39.579   8.3906   39.579   8.3906   0.0000   0.0000   75.271   8.2259  ?   ?       ?      ? 
1 1 1  -13   21   19 o   58.033   9.4817   23.381   6.6576   20.615   7.7535   31.145   12.989   52.761   11.191   63.306   15.309 -10.54535 18.96334 
1 1 1  -13   21   20 o   46.263   10.022   14.710   6.2341   12.904   7.2376   19.905   12.272   41.674   12.101   50.853   15.980 -9.178410 20.04436 
1 1 1  -13   21   21 o   70.976   8.0961   33.885   6.8054   30.573   7.8859   43.548   13.470   65.949   8.8239   76.003   13.577 -10.05338 16.19210 
1 1 1  -13   21   22 o   82.381   7.2437   45.251   7.1549   41.948   8.2454   55.318   14.396   77.521   7.8489   87.241   12.177 -9.720276 14.48747 
1 1 1  -13   21   23 o   53.580   9.7156   19.876   6.4684   17.025   7.5373   27.843   12.601   47.619   11.752   59.542   15.475 -11.92254 19.43112 
1 1 1  -13   21   24 o   63.690   9.0098   30.329   6.8409   30.457   8.0342   29.990   13.045   65.694   9.0248   61.685   15.597 4.008526 18.01954 
1 1 1  -13   21   25 o   62.291   9.2607   32.354   7.0286   36.904   8.3576   21.363   12.990   72.445   8.5132   52.136   16.449 20.30863 18.52131 
1 1 1  -13   21   26 o   53.674   9.7128   21.567   6.6256   20.690   7.8574   23.725   12.326   52.602   11.355   54.746   15.761 -2.144039 19.42566 
1 1 1  -13   21   27 o   46.562   10.115   16.386   6.6093   16.425   7.8162   16.287   12.381   46.525   12.234   46.598   16.112 -0.7249451E-01 20.23062 
1 1 1  -13   21   28 o   97.813   6.7044   60.488   8.1594   50.270   9.5189   88.792   15.843   84.525   8.3103  111.101   10.523 -26.57583 13.40873 
1 1 1  -13   21   29 o   49.700   10.048   17.140   6.7257   13.146   8.0451   26.410   12.257   41.802   12.906   57.598   15.404 -15.79568 20.09592 
1 1 1  -13   21   30 o   79.379   8.9381   47.977   9.1338   52.837   12.148   41.657   13.853   85.615   10.471   73.144   14.489 12.47076 17.87627 
1 1 1  -13   21   31 o   80.041   8.4206   45.800   8.9954   39.813   11.562   54.984   14.319   73.770   11.565   86.311   12.242 -12.54027 16.84125 
1 1 1  -13   21   32 o   51.282   9.4240   16.353   6.4619   9.3322   7.6358   34.069   12.129   36.434   12.650   66.130   13.972 -29.69625 18.84801 
1 1 1  -13   21   33 o   43.692   9.9411   13.627   6.3176   11.589   7.6174   18.118   11.308   39.414   12.613   47.970   15.369 -8.555920 19.88230 
1 1 1  -13   21   34 o   39.469   9.5307   11.654   6.3236   14.689   7.6901   5.3175   11.112   43.760   12.401   35.178   14.476 8.582481 19.06132 
1 1 1  -13   21   35 o   50.059   9.2212   16.065   6.3076   8.8859   7.5760   32.287   11.388   35.706   12.587   64.412   13.479 -28.70517 18.44241 
1 1 1  -13   21   36 o   51.784   9.6185   21.725   6.6676   23.380   8.0926   18.226   11.765   55.701   11.111   47.867   15.704 7.833748 19.23704 
1 1 1  -13   21   37 o   27.635   11.651   1.7813   7.4577   1.7813   7.4577   0.0000   0.0000   27.635   11.651  ?   ?       ?      ? 
1 1 1  -13   21   38 o   27.273   8.4094  -1.5165   6.3600   4.8127   7.3656 -20.0650   12.609   30.551   12.057   23.995   11.726 6.556753 16.81874 
1 1 1  -13   21   39 o   60.869   13.152   28.983   10.532   28.983   10.532   0.0000   0.0000   60.869   13.152  ?   ?       ?      ? 
1 1 1  -13   21   40 o   19.241   9.4638 -16.2489   8.6356 -16.2489   8.6356   0.0000   0.0000   19.241   9.4638  ?   ?       ?      ? 
1 1 1  -13   21   41 o   34.115   9.6520   5.6916   6.3110   4.2726   7.5646   8.9406   11.446   30.106   12.107   38.124   15.036 -8.017969 19.30394 
1 1 1  -13   21   42 o   45.915   10.273   14.277   6.7457   9.8491   7.9869   25.295   12.600   36.855   12.929   54.976   15.967 -18.12149 20.54515 
1 1 1  -13   21   43 o   52.655   9.8601   23.553   7.0625   26.256   8.4841   17.452   12.746   58.808   11.052   46.502   16.332 12.30656 19.72011 
1 1 1  -13   21   44 f   40.552   10.508   12.201   7.6059   14.130   9.8851   9.4012   11.908   42.488   14.405   38.617   15.302 3.871346 21.01558 
1 1 1  -13   21   45 o   47.269   10.931   17.933   7.9169   15.882   10.137   21.139   12.675   44.473   14.576   50.066   16.294 -5.592323 21.86252 
1 1 1  -13   21   46 o   35.879   10.536   2.1342   8.7225   15.590   14.017  -6.3684   11.143   44.663   16.896   27.095   12.591 17.56831 21.07129 
1 1 1  -13   21   47 o   39.668   11.125   10.293   8.7743   12.678   13.780   8.6668   11.379   41.996   16.518   37.339   14.907 4.657070 22.25029 
1 1 1  -13   21   48 o   61.755   11.564   32.702   9.7021   35.477   15.252   30.816   12.574   63.150   17.308   60.361   15.340 2.789314 23.12759 
1 1 1  -13   21   49 o   57.309   10.170   28.242   9.4273   8.6432   13.992   44.538   12.758   38.734   16.118   75.884   12.407 -37.14999 20.33988 
1 1 1  -13   21   50 o   28.057   9.0921  -5.1898   8.1369 -14.2463   12.523   1.4271   10.704   25.309   12.206   30.805   13.478 -5.495255 18.18411 
1 1 1  -13   21   51 o   34.957   10.425   5.8763   8.4005   4.0079   13.260   7.1290   10.858   34.773   15.111   35.141   14.367 -0.3684196 20.85094 
1 1 1  -13   21   52 o   39.026   15.934   10.366   13.334   10.366   13.334   0.0000   0.0000   39.026   15.934  ?   ?       ?      ? 
1 1 1  -13   21   54 o   49.052   17.290   22.757   14.295   22.757   14.295   0.0000   0.0000   49.052   17.290  ?   ?       ?      ? 
1 1 1  -13   21   55 o   29.125   13.377  -2.7061   12.056  -2.7061   12.056   0.0000   0.0000   29.125   13.377  ?   ?       ?      ? 
1 1 1  -13   22    1 o   51.273   14.524   20.766   10.551   0.0000   0.0000   20.766   10.551  ?   ?    51.273   14.524      ?      ? 
1 1 1  -13   22    2 o   52.062   14.492   21.409   10.600   0.0000   0.0000   21.409   10.600  ?   ?    52.062   14.492      ?      ? 
1 1 1  -13   22    3 o   33.996   9.7492   4.5127   7.1193   8.9271   10.450   0.6898   9.7251   37.936   14.531   30.056   13.001 7.880468 19.49844 
1 1 1  -13   22    4 f   50.707   9.9619   19.919   7.6602   10.066   10.847   29.722   10.819   39.337   14.867   62.077   13.264 -22.74008 19.92388 
1 1 1  -13   22    5 o   78.941   8.8342   47.958   8.8387   33.781   12.707   61.246   12.302   65.458   14.686   92.425   9.8225 -26.96700 17.66844 
1 1 1  -13   22    6 o   73.446   9.0346   41.800   8.4886   28.462   12.149   54.520   11.865   59.801   15.014   87.091   10.053 -27.29028 18.06915 
1 1 1  -13   22    7 o   71.420   9.0824   38.473   8.5411   38.146   12.772   38.737   11.487   70.146   13.928   72.694   11.661 -2.547844 18.16485 
1 1 1  -13   22    8 o   93.268   7.3589   61.178   9.1447   79.327   14.131   48.103   11.995  105.129   9.9193   81.407   10.873 23.72204 14.71780 
1 1 1  -13   22    9 o   59.324   10.324   26.492   7.6148   24.700   8.9632   31.141   14.436   57.078   11.970   61.570   16.824 -4.491863 20.64750 
1 1 1  -13   22   10 o   52.400   10.276   22.733   7.3780   25.089   8.6932   16.668   13.951   57.747   11.513   47.054   17.024 10.69283 20.55126 
1 1 1  -13   22   11 o   55.634   12.026   23.525   8.8024   23.525   8.8024   0.0000   0.0000   55.634   12.026  ?   ?       ?      ? 
1 1 1  -13   22   12 o   59.608   11.108   26.539   8.6428   26.539   8.6428   0.0000   0.0000   59.608   11.108  ?   ?       ?      ? 
1 1 1  -13   22   13 o   42.452   10.555   13.277   7.2081   14.312   8.4678   10.555   13.735   43.264   13.222   41.641   16.455 1.622971 21.10905 
1 1 1  -13   22   14 o   69.540   8.5516   30.661   6.8363   25.677   7.7238   48.687   14.689   59.909   9.5139   79.172   14.213 -19.26320 17.10327 
1 1 1  -13   22   15 o   81.670   7.7619   44.338   7.3947   40.549   8.3887   57.543   15.661   75.804   8.1661   87.536   13.202 -11.73191 15.52372 
1 1 1  -13   22   16 o   37.242   9.9127   9.0622   6.3448   10.186   7.2624   5.4380   13.040   37.351   12.342   37.132   15.515 0.2185593 19.82532 
1 1 1  -13   22   17 o   34.663   9.3351   7.3544   6.2123   10.538   7.2372  -1.5595   12.109   37.817   12.312   31.509   14.035 6.308517 18.67026 
1 1 1  -13   22   18 o   37.094   9.8929   7.0263   6.1592   4.3296   7.1713   14.609   12.025   29.911   11.868   44.276   15.831 -14.36444 19.78571 
1 1 1  -13   22   19 o   62.922   9.0337   29.668   6.7275   29.180   7.8350   31.039   13.125   63.966   9.0387   61.878   15.644 2.088375 18.06739 
1 1 1  -13   22   20 o   61.389   9.3160   28.804   6.8581   28.760   7.9985   28.926   13.327   63.391   9.3110   59.387   16.139 4.004356 18.63195 
1 1 1  -13   22   21 o   29.393   9.0663   0.4319   6.0642  -0.2116   7.0691   2.2248   11.800   25.286   11.011   33.500   14.406 -8.214317 18.13261 
1 1 1  -13   22   22 o   41.703   10.167   11.916   6.3611   10.300   7.4345   16.330   12.289   37.469   12.493   45.937   16.043 -8.467731 20.33302 
1 1 1  -13   22   23 o   72.328   9.0417   41.930   7.3133   44.239   8.4977   35.335   14.361   79.152   7.9224   65.504   16.256 13.64841 18.08336 
1 1 1  -13   22   24 o   78.986   7.4228   40.448   7.2113   34.318   8.3551   58.356   14.279   69.328   8.8932   88.645   11.887 -19.31615 14.84555 
1 1 1  -13   22   25 o   41.840   11.284   11.956   9.0594   7.3083   13.840   15.441   11.983   38.853   16.088   44.827   15.828 -5.973885 22.56818 
1 1 1  -13   22   26 o   42.646   11.181   12.905   9.0386   4.9418   14.193   18.338   11.723   37.477   15.949   47.814   15.675 -10.33796 22.36257 
1 1 1  -13   22   27 o   59.603   10.063   27.525   7.8057   24.726   9.8037   32.372   12.901   56.142   13.122   63.064   15.261 -6.922337 20.12657 
1 1 1  -13   22   28 o   78.037   8.9319   47.577   8.6783   50.925   10.949   41.921   14.233   83.954   9.6240   72.120   15.050 11.83420 17.86371 
1 1 1  -13   22   29 o   52.202   9.8874   23.308   7.7434   30.972   9.8836   11.125   12.460   63.659   11.894   40.744   15.798 22.91495 19.77478 
1 1 1  -13   22   30 f   41.049   9.8834   12.302   7.4261   19.622   9.5787   1.2736   11.757   49.564   13.769   32.533   14.183 17.03170 19.76683 
1 1 1  -13   22   31 o   30.460   9.2249   1.7363   6.8737   4.5567   8.9023  -2.4278   10.817   31.886   13.019   29.033   13.072 2.852598 18.44980 
1 1 1  -13   22   32 f   47.396   13.802   17.973   9.4039   17.973   9.4039   0.0000   0.0000   47.396   13.802  ?   ?       ?      ? 
1 1 1  -13   22   33 o   70.543   10.668   36.677   10.198   36.677   10.198   0.0000   0.0000   70.543   10.668  ?   ?       ?      ? 
1 1 1  -13   22   34 o   27.718   8.8238  -3.2966   6.9020  -6.8095   8.9900   1.7465   10.771   23.830   11.151   31.607   13.678 -7.777225 17.64755 
1 1 1  -13   22   35 o   37.023   9.5676   8.1680   7.1387   16.403   9.4770  -2.6333   10.854   45.214   14.016   28.831   13.027 16.38299 19.13514 
1 1 1  -13   22   36 o   53.558   10.399   22.927   7.6971   19.109   9.9383   28.651   12.168   48.434   14.213   58.683   15.185 -10.24903 20.79872 
1 1 1  -13   22   37 o   49.783   10.325   19.864   7.4026   16.083   9.7177   25.091   11.426   44.650   14.242   54.917   14.952 -10.26743 20.64902 
1 1 1  -13   22   38 f   28.809   8.7810  -0.7035   6.7604   6.4445   9.0213  -9.8592   10.210   33.514   13.307   24.104   11.461 9.410095 17.56191 
1 1 1  -13   22   39 o   40.735   10.490   12.673   7.4243   12.925   9.5230   12.282   11.855   40.693   14.127   40.777   15.511 -0.8373642E-01 20.98002 
1 1 1  -13   22   40 o   27.136   8.6218  -4.6636   7.1695   3.9004   9.5802 -15.5657   10.809   31.624   13.262   22.648   11.021 8.976503 17.24351 
1 1 1  -13   22   41 o   35.322   9.7428   6.4699   7.4955   14.262   9.9442  -3.7826   11.406   42.090   14.446   28.553   13.077 13.53728 19.48551 
1 1 1  -13   22   42 o   36.945   10.775   6.5642   8.8425   13.672   13.442   1.1416   11.741   42.167   16.392   31.724   13.991 10.44274 21.55046 
1 1 1  -13   22   43 o   32.900   10.126  -0.5307   8.7047   10.958   13.461  -8.7872   11.412   39.818   16.101   25.983   12.284 13.83525 20.25230 
1 1 1  -13   22   44 o   48.171   11.827   19.333   9.5000   28.907   14.974   12.884   12.290   55.580   17.674   40.763   15.722 14.81660 23.65423 
1 1 1  -13   22   45 o   69.364   11.114   42.795   10.558   31.885   15.409   52.450   14.496   57.907   17.859   80.822   13.235 -22.91434 22.22843 
1 1 1  -13   22   46 o   44.120   11.694   16.834   9.6155   12.667   14.066   20.491   13.175   40.757   16.467   47.482   16.609 -6.724915 23.38820 
1 1 1  -13   22   47 o   36.774   15.518   8.0043   13.250   8.0043   13.250   0.0000   0.0000   36.774   15.518  ?   ?       ?      ? 
1 1 1  -13   23    1 o   34.176   9.7897   5.2936   7.4697   10.342   9.2726  -4.0381   12.607   38.052   13.862   30.299   13.827 7.753136 19.57933 
1 1 1  -13   23    2 o   36.502   10.279   7.7820   7.6699   10.359   9.5119   2.9923   12.968   38.202   14.021   34.802   15.034 3.400078 20.55747 
1 1 1  -13   23    3 o   50.702   11.018   19.465   8.2726   13.284   10.407   30.073   13.634   41.767   14.750   59.637   16.372 -17.86977 22.03623 
1 1 1  -13   23    4 o   68.657   12.922   36.760   11.582   36.760   11.582   0.0000   0.0000   68.657   12.922  ?   ?       ?      ? 
1 1 1  -13   23    5 o   36.315   10.682   2.5052   7.8410  -2.1098   9.0952   15.863   15.474   26.837   12.043   45.793   17.647 -18.95628 21.36449 
1 1 1  -13   23    6 o   54.727   11.583   22.752   8.8324   17.293   10.662   34.690   15.768   46.341   14.932   63.114   17.713 -16.77325 23.16698 
1 1 1  -13   23    7 o   29.233   9.0498   0.0042   6.8562   2.1090   9.8786  -1.9521   9.5235   30.909   13.233   27.557   12.348 3.351942 18.09965 
1 1 1  -13   23    8 o   27.995   9.0249  -3.4887   7.3889  -1.9887   9.2718  -6.0992   12.232   27.174   12.180   28.816   13.321 -1.641346 18.04974 
1 1 1  -13   23    9 o   44.632   10.590   15.714   7.1766   16.259   8.4028   14.243   13.797   45.391   12.998   43.874   16.722 1.517147 21.17977 
1 1 1  -13   23   10 o   59.044   10.163   26.795   7.4630   24.749   8.8114   31.988   14.038   56.648   11.859   61.439   16.508 -4.790138 20.32573 
1 1 1  -13   23   11 o   30.823   9.2402  -4.0623   6.3489 -10.0765   7.3848   12.977   12.430   19.456   9.3811   42.190   15.922 -22.73333 18.48048 
1 1 1  -13   23   12 o   35.730   9.6236   8.2748   6.6359   11.430   8.0134   1.3897   11.837   38.863   12.971   32.597   14.220 6.266018 19.24719 
1 1 1  -13   23   13 o   28.506   8.9415  -0.4644   6.3568  -0.6238   7.5927  -0.0907   11.624   25.613   11.275   31.400   13.881 -5.786434 17.88305 
1 1 1  -13   23   14 f   29.613   8.9811   1.9093   6.3040   3.6887   7.6820  -1.7600   11.031   29.582   12.088   29.644   13.286 -0.6257439E-01 17.96227 
1 1 1  -13   23   15 o   44.079   10.367   13.020   7.0439   7.9702   8.5355   23.802   12.472   34.922   13.191   53.237   15.997 -18.31517 20.73388 
1 1 1  -13   23   16 o   34.191   9.5856   6.4279   6.8405   10.069   8.3569  -0.9648   11.908   37.230   13.210   31.152   13.894 6.077990 19.17124 
1 1 1  -13   23   17 o   37.195   9.4268   8.8547   7.0330   16.463   8.8600  -4.1055   11.564   45.456   13.443   28.933   13.219 16.52362 18.85359 
1 1 1  -13   23   18 o   35.272   9.7341   7.5276   6.8913   10.638   8.6061   1.9686   11.505   37.997   13.413   32.547   14.110 5.449635 19.46830 
1 1 1  -13   23   19 o   47.000   10.660   17.754   7.5431   16.680   9.6076   19.479   12.179   45.546   14.111   48.455   15.982 -2.909233 21.31973 
1 1 1  -13   23   20 o   40.831   11.275   9.9406   9.2970   18.473   13.948   3.1201   12.471   47.406   17.040   34.256   14.771 13.15027 22.55054 
1 1 1  -13   23   21 o   38.863   11.098   9.0117   9.1429   5.1179   13.890   11.988   12.145   36.798   15.722   40.928   15.668 -4.129410 22.19594 
1 1 1  -13   23   22 o   40.135   10.305   8.8984   7.2582   2.7252   8.8805   21.320   12.597   30.054   12.695   50.215   16.236 -20.16082 20.60979 
1 1 1  -13   23   23 o   34.057   8.8916   4.7211   6.8898   15.295   8.6840 -13.2423   11.319   43.783   13.391   24.330   11.701 19.45310 17.78315 
1 1 1  -13   23   24 o   33.176   9.7836   4.6678   7.0509   4.4842   8.7349   5.0113   11.945   31.396   12.867   34.956   14.742 -3.560076 19.56713 
1 1 1  -13   23   25 o   34.963   9.7947   7.3224   6.9281   9.3238   8.8057   4.0708   11.224   36.375   13.466   33.550   14.227 2.824661 19.58938 
1 1 1  -13   23   26 f   42.217   10.356   14.126   7.1416   14.724   8.9718   13.094   11.798   42.877   13.685   41.557   15.547 1.319984 20.71220 
1 1 1  -13   23   27 o   38.243   13.588   11.010   8.8451   11.010   8.8451   0.0000   0.0000   38.243   13.588  ?   ?       ?      ? 
1 1 1  -13   23   28 o   25.991   11.678  -1.8575   8.5785  -1.8575   8.5785   0.0000   0.0000   25.991   11.678  ?   ?       ?      ? 
1 1 1  -13   23   29 o   34.705   9.3020   5.8470   7.1348   15.009   9.2095  -7.9063   11.284   43.040   13.879   26.370   12.389 16.67009 18.60391 
1 1 1  -13   23   30 o   29.892   9.2820   0.8763   7.0782   0.8023   9.0388   0.9937   11.382   28.461   12.421   31.324   13.797 -2.862946 18.56400 
1 1 1  -13   23   31 o   39.130   10.436   11.420   7.4734   12.023   9.5245   10.455   12.055   39.371   14.088   38.888   15.401 0.4830742 20.87235 
1 1 1  -13   23   32 o   52.686   10.048   24.862   7.9885   32.732   10.265   12.775   12.721   64.312   12.225   41.060   15.951 23.25163 20.09647 
1 1 1  -13   23   33 o   34.323   9.9153   2.6842   8.4420 -11.8968   12.515   14.858   11.436   26.080   12.480   42.566   15.411 -16.48598 19.83057 
1 1 1  -13   23   34 o   39.356   11.038   11.100   8.8665   7.9859   13.007   13.803   12.118   37.170   15.510   41.542   15.711 -4.372322 22.07689 
1 1 1  -13   23   35 o   38.665   11.085   10.276   9.0202   10.573   13.431   10.033   12.174   39.184   15.995   38.145   15.352 1.039059 22.17009 
1 1 1  -13   23   36 o   52.801   11.998   25.789   9.6988   27.147   14.507   24.691   13.042   53.640   17.430   51.962   16.491 1.677711 23.99515 
1 1 1  -13   23   37 o   40.951   11.330   12.827   9.1768   18.091   13.748   8.5972   12.324   45.090   16.800   36.812   15.207 8.277908 22.65980 
1 1 1  -13   23   38 o   32.115   14.021   3.0347   11.526   0.0000   0.0000   3.0347   11.526  ?   ?    32.115   14.021      ?      ? 
1 1 1  -13   23   39 o   26.352   12.367  -6.4216   11.193   0.0000   0.0000  -6.4216   11.193  ?   ?    26.352   12.367      ?      ? 
1 1 1  -13   23   40 o   46.367   16.082   19.902   12.339   0.0000   0.0000   19.902   12.339  ?   ?    46.367   16.082      ?      ? 
1 1 1  -13   23   41 o   44.668   16.000   18.450   12.288   0.0000   0.0000   18.450   12.288  ?   ?    44.668   16.000      ?      ? 
1 1 1  -13   23   42 o   32.989   14.333   4.7523   11.923   0.0000   0.0000   4.7523   11.923  ?   ?    32.989   14.333      ?      ? 
1 1 1  -13   23   43 o   57.716   16.133   31.907   13.109   0.0000   0.0000   31.907   13.109  ?   ?    57.716   16.133      ?      ? 
1 1 1  -13   24    1 o   41.265   11.223   13.191   8.7927   12.468   11.748   14.112   13.258   40.308   15.415   42.221   16.316 -1.913090 22.44627 
1 1 1  -13   24    2 f   43.960   11.305   16.184   8.8727   19.304   11.880   12.250   13.342   47.188   15.793   40.732   16.180 6.455685 22.60950 
1 1 1  -13   24    3 o   38.365   10.541   8.6734   8.7334   18.247   11.850  -2.7081   12.921   46.087   15.771   30.642   13.990 15.44504 21.08157 
1 1 1  -13   24    4 o   55.452   11.455   27.314   9.2029   24.213   13.053   30.379   12.977   52.054   16.495   58.849   15.898 -6.794521 22.90916 
1 1 1  -13   24    5 o   49.786   11.210   21.633   9.0032   13.436   13.010   29.165   12.472   41.643   16.143   57.930   15.558 -16.28639 22.42002 
1 1 1  -13   24    6 o   33.625   10.125   4.2013   8.2317   0.0872   12.237   7.6020   11.125   31.485   14.060   35.765   14.573 -4.280050 20.25031 
1 1 1  -13   24    7 f   33.800   10.170   3.7511   8.4480  -2.5452   12.362   9.2674   11.571   30.147   13.733   37.452   15.004 -7.304398 20.33992 
1 1 1  -13   24    8 o   53.763   11.658   25.847   9.4984   20.263   13.457   31.391   13.409   47.922   16.784   59.604   16.184 -11.68204 23.31615 
1 1 1  -13   24    9 o   46.034   11.155   17.155   9.2138   6.3396   13.140   27.617   12.923   36.242   15.382   55.826   16.158 -19.58400 22.30915 
1 1 1  -13   24   10 o   47.078   11.336   18.204   8.9602   27.208   13.438   10.996   12.023   55.012   16.621   39.143   15.419 15.86830 22.67173 
1 1 1  -13   24   11 o   39.227   10.951   10.868   8.6213   13.447   12.488   8.5198   11.916   41.450   15.883   37.004   15.081 4.445950 21.90229 
1 1 1  -13   24   12 o   41.764   10.666   12.112   8.7583   0.0996   12.501   23.693   12.274   31.714   14.184   51.813   15.932 -20.09930 21.33101 
1 1 1  -13   24   13 o   33.897   10.288   1.6091   8.5567   12.146   13.648  -5.2148   10.983   40.715   16.301   27.079   12.555 13.63533 20.57551 
1 1 1  -13   24   14 o   26.058   12.121  -5.6140   10.366   0.0000   0.0000  -5.6140   10.366  ?   ?    26.058   12.121      ?      ? 
1 1 1  -13   24   15 o   34.701   14.419   6.3987   11.176   0.0000   0.0000   6.3987   11.176  ?   ?    34.701   14.419      ?      ? 
1 1 1  -13   24   16 o   38.650   10.810   10.041   8.3912   15.044   12.814   6.2855   11.103   42.777   16.161   34.523   14.361 8.253822 21.61998 
1 1 1  -13   24   17 o   32.187   9.8818   1.8755   8.0303   7.5900   12.222  -2.4651   10.652   36.294   15.080   28.080   12.774 8.213787 19.76353 
1 1 1  -13   24   18 o   35.430   10.294   6.8730   8.2030   1.1622   12.263   11.498   11.036   31.938   14.181   38.923   14.927 -6.985395 20.58887 
1 1 1  -13   24   19 o   26.992   8.8687  -5.4737   7.7352  -2.8721   11.717  -7.4834   10.298   29.039   13.282   24.946   11.756 4.093147 17.73733 
1 1 1  -13   24   20 o   35.470   10.508   6.7294   8.4269   8.7075   12.813   5.2216   11.187   37.336   15.471   33.605   14.224 3.731236 21.01596 
1 1 1  -13   24   21 o   38.547   10.137   4.3025   8.5218   25.351   13.103 -11.1255   11.218   52.550   16.512   24.545   11.764 28.00431 20.27407 
1 1 1  -13   24   22 o   43.467   16.546   16.219   13.495   16.219   13.495   0.0000   0.0000   43.467   16.546  ?   ?       ?      ? 
1 1 1  -13   24   23 o   35.104   15.113   5.6366   13.015   5.6366   13.015   0.0000   0.0000   35.104   15.113  ?   ?       ?      ? 
1 1 1  -13   24   24 o   34.637   10.413   6.0570   8.5240   5.3175   12.744   6.6555   11.466   34.622   14.930   34.651   14.519 -0.2920532E-01 20.82575 
1 1 1  -13   24   25 o   39.829   10.922   11.788   9.0813   2.3632   13.557   19.459   12.231   33.359   14.856   46.298   16.013 -12.93937 21.84301 
1 1 1  -13   24   26 o   41.018   11.138   12.153   9.0101   22.757   13.856   4.3843   11.860   48.875   17.036   33.161   14.351 15.71397 22.27541 
1 1 1  -13   24   27 o   37.376   10.441   5.9170   8.5845   21.695   13.317  -5.3012   11.229   47.888   16.701   26.864   12.536 21.02402 20.88228 
1 1 1  -13   24   28 o   33.741   10.170   4.8284   8.5885  -3.0165   13.055   10.814   11.404   29.852   13.787   37.631   14.955 -7.778872 20.33997 
1 1 1  -13   24   29 o   32.696   10.089   3.6807   8.6117  -2.0388   13.474   7.6307   11.197   30.621   14.093   34.772   14.440 -4.150949 20.17731 
1 1 1  -13   24   30 o   46.761   11.472   21.171   9.4040   13.361   14.667   26.622   12.254   40.301   16.613   53.220   15.826 -12.91886 22.94454 
1 1 1  -13   24   31 o   38.020   11.087   10.665   9.0849   14.389   14.370   8.1852   11.726   40.790   16.585   35.250   14.719 5.540020 22.17472 
1 1 1  -13   24   32 o   28.931   9.4069  -1.6854   8.3058  -4.0875   13.628  -0.2657   10.477   29.499   13.780   28.362   12.809 1.136929 18.81388 
1 1 1  -13   24   33 o   27.097   12.559  -3.3461   10.978   0.0000   0.0000  -3.3461   10.978  ?   ?    27.097   12.559      ?      ? 
1 1 1  -13   24   34 o   38.968   15.434   13.267   12.108   0.0000   0.0000   13.267   12.108  ?   ?    38.968   15.434      ?      ? 
1 1 1  -13   24   35 o   32.325   14.124   4.8998   11.721   0.0000   0.0000   4.8998   11.721  ?   ?    32.325   14.124      ?      ? 
1 1 1  -13   24   36 o   38.366   15.235   13.108   11.826   0.0000   0.0000   13.108   11.826  ?   ?    38.366   15.235      ?      ? 
1 1 1  -13   24   37 o   20.891   10.252 -14.4438   9.9542   0.0000   0.0000 -14.4438   9.9542  ?   ?    20.891   10.252      ?      ? 
1 1 1  -13   24   38 o   38.395   15.270   13.720   11.899   0.0000   0.0000   13.720   11.899  ?   ?    38.395   15.270      ?      ? 
1 1 1  -13   25    1 o   26.496   8.7558  -5.1454   7.9032  -0.7455   10.932  -9.9636   11.439   28.376   12.921   24.617   11.819 3.759623 17.51157 
1 1 1  -13   25    2 o   34.666   9.9103   2.2472   8.3537 -12.1437   11.140   20.737   12.627   23.454   11.360   45.879   16.242 -22.42557 19.82070 
1 1 1  -13   25    3 o   29.653   9.3962  -2.1967   8.1555 -11.4970   11.014   9.0914   12.134   23.546   11.378   35.760   14.956 -12.21437 18.79244 
1 1 1  -13   25    4 o   37.044   9.4814   2.8641   8.4298   26.126   11.873 -20.7789   11.970   52.283   15.585   21.806   10.802 30.47707 18.96284 
1 1 1  -13   25    5 o   31.152   9.8152   2.4488   8.3859   1.9933   11.888   2.8999   11.831   30.903   13.825   31.401   13.936 -0.4984436 19.63045 
1 1 1  -13   25    6 o   32.012   9.9286   3.5297   8.3430   7.7081   12.002  -0.3773   11.606   34.721   14.717   29.302   13.331 5.419661 19.85730 
1 1 1  -13   25    7 o   39.573   15.371   13.803   11.812   0.0000   0.0000   13.803   11.812  ?   ?    39.573   15.371      ?      ? 
1 1 1  -13   25    8 o   25.567   12.013  -5.5646   10.613   0.0000   0.0000  -5.5646   10.613  ?   ?    25.567   12.013      ?      ? 
1 1 1  -13   25    9 o   38.859   10.598   11.723   8.7983   0.4340   13.046   21.142   11.916   30.986   14.112   46.733   15.816 -15.74720 21.19614 
1 1 1  -13   25   10 o   37.584   10.769   11.468   8.5470   10.278   12.740   12.441   11.526   36.882   15.366   38.286   15.092 -1.403603 21.53791 
1 1 1  -13   25   11 o   29.306   9.4033   0.0056   8.0766  -0.7922   12.069   0.6528   10.869   29.463   13.478   29.150   13.116 0.3130569 18.80659 
1 1 1  -13   25   12 o   36.683   10.503   10.390   8.3689   5.1217   12.673   14.465   11.145   33.302   14.616   40.064   15.086 -6.762047 21.00509 
1 1 1  -13   25   13 o   29.840   9.5136   0.9037   8.0348   2.0487   12.371   0.0683   10.567   31.222   14.026   28.459   12.857 2.762815 19.02711 
1 1 1  -13   25   14 o   37.007   10.275   7.1426   8.3224   22.600   12.822  -4.1112   10.940   47.458   16.397   26.557   12.386 20.90022 20.54933 
1 1 1  -13   25   15 o   30.488   9.6522   1.9037   8.2449  -0.8857   12.542   4.0267   10.941   29.720   13.648   31.255   13.652 -1.535017 19.30439 
1 1 1  -13   25   16 o   33.054   14.574   4.9520   12.733   4.9520   12.733   0.0000   0.0000   33.054   14.574  ?   ?       ?      ? 
1 1 1  -13   25   17 o   32.983   14.638   4.5907   13.055   4.5907   13.055   0.0000   0.0000   32.983   14.638  ?   ?       ?      ? 
1 1 1  -13   25   18 o   56.225   11.718   31.713   9.6051   38.006   14.195   26.399   13.045   61.674   16.612   50.775   16.530 10.89941 23.43533 
1 1 1  -13   25   19 o   31.489   9.8593   3.5516   8.2420   6.2386   12.597   1.5405   10.898   33.565   14.655   29.413   13.192 4.152336 19.71850 
1 1 1  -13   25   20 o   26.761   8.8825  -5.2247   7.8655   0.9279   12.716  -9.0371   10.010   30.508   13.909   23.013   11.051 7.495174 17.76501 
1 1 1  -13   25   21 o   28.476   9.2612  -3.3439   8.0548   6.7865   12.935  -9.7606   10.294   33.908   14.827   23.043   11.102 10.86486 18.52246 
1 1 1  -13   25   22 f   32.901   10.174   6.0208   8.5677   5.2415   13.203   6.5878   11.261   33.020   14.685   32.781   14.084 0.2390213 20.34759 
1 1 1  -13   25   23 o   22.070   7.6632 -14.9444   7.8044 -18.3476   12.307 -12.6552   10.093   22.517   11.117   21.623   10.550 0.8939724 15.32637 
1 1 1  -13   25   24 o   32.725   10.026   6.1807   8.4254   0.7165   12.988   10.151   11.071   30.248   13.890   35.202   14.463 -4.953629 20.05256 
1 1 1  -12    0    2 o  362.251   7.2133  891.624   35.340  872.598   49.443  911.497   50.532  358.292   10.202  366.210   10.200 -0.000000 0.000000 
1 1 1  -12    0    3 o   58.004   7.6236   25.063   5.3760   24.247   7.6736   25.850   7.5340   56.773   11.219   59.235   10.325 -0.000000 0.000000 
1 1 1  -12    0    4 o  361.397   7.2147  886.855   35.252  852.856   49.003  923.320   50.749  354.205   10.228  368.588   10.178 -0.000000 0.000000 
1 1 1  -12    0    5 o  113.153   5.6072   88.079   8.4956   84.492   11.977   91.711   12.053  110.768   8.0776  115.537   7.7790 -0.000000 0.000000 
1 1 1  -12    0    6 o  343.748   7.0321  802.749   32.685  777.679   45.635  829.156   46.836  338.223   9.9762  349.272   9.9134 -0.000000 0.000000 
1 1 1  -12    0    7 o  114.344   5.6437   89.936   8.6451   88.556   12.284   91.289   12.169  113.440   8.0852  115.248   7.8762 -0.000000 0.000000 
1 1 1  -12    0    8 o  374.171   7.3861  951.398   37.382  933.318   52.465  970.039   53.275  370.551   10.467  377.792   10.424 -0.000000 0.000000 
1 1 1  -12    0    9 o   69.275   6.9951   34.573   6.1381   32.150   8.7859   36.884   8.5789   66.491   10.545   72.058   9.1942 -0.000000 0.000000 
1 1 1  -12    0   10 o  361.114   7.2554  886.012   35.432  908.003   50.725  865.059   49.515  365.499   10.260  356.730   10.262 -0.000000 0.000000 
1 1 1  -12    0   11 o  352.718   10.153  845.708   48.438  845.708   48.438   0.0000   0.0000  352.718   10.153  352.718   10.153 -0.000000 0.000000 
1 1 1  -12    0   12 o  533.474   13.313  1934.53   96.105  1934.53   96.105   0.0000   0.0000  533.474   13.313  533.474   13.313 -0.000000 0.000000 
1 1 1  -12    0   13 o  242.501   6.1225  400.128   20.059  392.681   28.157  407.803   28.584  240.199   8.6761  244.802   8.6408 -0.000000 0.000000 
1 1 1  -12    0   14 o  840.458   13.709  4807.31  155.937  4856.62  222.014  4759.29  219.072  844.712   19.418  836.204   19.356 -0.000000 0.000000 
1 1 1  -12    0   15 o  713.194   11.891  3459.45  114.774  3495.44  163.454  3424.44  161.200  716.854   16.847  709.534   16.786 -0.000000 0.000000 
1 1 1  -12    0   16 o  361.912   7.3095  890.312   35.780  898.589   50.936  882.248   50.273  363.574   10.357  360.250   10.317 -0.000000 0.000000 
1 1 1  -12    0   17 o  252.217   6.2505  432.299   21.289  453.394   30.730  412.831   29.521  258.151   8.8075  246.282   8.8714 -0.000000 0.000000 
1 1 1  -12    0   18 o  110.226   6.0512   83.560   8.8941   90.990   12.991   77.004   12.202  114.930   8.4461  105.521   8.6678 -0.000000 0.000000 
1 1 1  -12    0   19 o  259.281   6.3318  457.397   22.184  458.220   31.677  456.605   31.076  259.501   9.0328  259.061   8.8756 -0.000000 0.000000 
1 1 1  -12    0   20 o  379.722   7.5447  980.060   38.751  964.660   54.596  995.695   55.012  376.704   10.714  382.740   10.625 -0.000000 0.000000 
1 1 1  -12    0   21 o  288.098   6.5888  564.515   25.661  562.236   36.452  566.754   36.131  287.512   9.3783  288.683   9.2573 -0.000000 0.000000 
1 1 1  -12    0   22 o   93.903   6.5122   61.201   8.0822   65.442   11.975   57.654   10.953   96.930   9.3144   90.877   9.1036 -0.000000 0.000000 
1 1 1  -12    0   23 o  129.327   6.0005  114.718   10.401  117.231   15.119  112.460   14.332  130.659   8.6251  127.994   8.3445 -0.000000 0.000000 
1 1 1  -12    0   24 o  202.275   6.0162  279.003   16.411  267.668   23.285  290.192   23.135  198.140   8.7102  206.409   8.3014 -0.000000 0.000000 
1 1 1  -12    0   25 o  789.938   18.374  4242.77  196.450   0.0000   0.0000  4242.77  196.450  789.938   18.374  789.938   18.374 -0.000000 0.000000 
1 1 1  -12    0   26 o  193.099   8.3964  254.166   21.877   0.0000   0.0000  254.166   21.877  193.099   8.3964  193.099   8.3964 -0.000000 0.000000 
1 1 1  -12    0   27 o  232.678   6.2523  368.734   19.639  358.159   27.916  379.096   27.634  229.338   9.0140  236.018   8.6666 -0.000000 0.000000 
1 1 1  -12    0   28 o  280.958   6.6306  536.913   25.171  517.398   35.487  556.672   35.707  275.786   9.5211  286.130   9.2307 -0.000000 0.000000 
1 1 1  -12    0   29 o  983.957   15.833  6576.45  210.722  6805.75  305.035  6367.13  291.441  1000.35   22.528  967.568   22.254 -0.000000 0.000000 
1 1 1  -12    0   30 o  1125.58   17.922  8618.49  273.013  8751.80  390.374  8490.87  381.960  1134.09   25.430  1117.06   25.262 -0.000000 0.000000 
1 1 1  -12    0   31 o  949.238   15.325  6124.41  196.859  6240.54  282.136  6014.23  274.810  958.004   21.758  940.472   21.588 -0.000000 0.000000 
1 1 1  -12    0   32 o  887.012   20.426  5348.82  245.234  5348.82  245.234   0.0000   0.0000  887.012   20.426  887.012   20.426 -0.000000 0.000000 
1 1 1  -12    0   33 o  370.321   10.725  931.985   53.720  931.985   53.720   0.0000   0.0000  370.321   10.725  370.321   10.725 -0.000000 0.000000 
1 1 1  -12    0   34 o  789.459   13.026  4235.70  139.183  4260.58  197.784  4211.29  195.898  791.755   18.457  787.163   18.387 -0.000000 0.000000 
1 1 1  -12    0   35 o  558.479   9.8614  2118.20   74.512  2066.92  104.200  2171.86  106.592  551.550   13.961  565.408   13.931 -0.000000 0.000000 
1 1 1  -12    0   36 o  187.562   6.2157  239.961   15.717  242.985   22.463  237.060   22.000  188.721   8.8274  186.402   8.7532 -0.000000 0.000000 
1 1 1  -12    0   37 o  275.334   6.6642  515.774   24.791  500.971   35.052  530.591   35.069  271.351   9.5591  279.317   9.2883 -0.000000 0.000000 
1 1 1  -12    0   38 o  217.249   6.3261  321.402   18.543  325.749   26.727  317.368   25.747  218.658   9.0553  215.841   8.8363 -0.000000 0.000000 
1 1 1  -12    0   39 o   64.597   10.668   32.134   8.0602   42.988   12.243   23.830   10.708   76.576   12.897   52.618   16.998 -0.000000 0.000000 
1 1 1  -12    0   40 o  326.806   7.1994  726.037   31.805  732.273   45.591  720.124   44.391  328.166   10.275  325.446   10.087 -0.000000 0.000000 
1 1 1  -12    0   41 o  802.857   13.259  4383.44  144.068  4420.10  205.250  4347.83  202.267  806.162   18.811  799.552   18.691 -0.000000 0.000000 
1 1 1  -12    0   42 o  1103.26   17.647  8287.53  263.419  8493.80  379.095  8094.95  366.297  1116.51   25.084  1090.00   24.827 -0.000000 0.000000 
1 1 1  -12    0   43 o  512.532   9.3283  1784.41   64.670  1724.31   90.242  1847.86   92.723  503.642   13.243  521.422   13.141 -0.000000 0.000000 
1 1 1  -12    0   44 o  739.887   17.476  3723.56  174.999   0.0000   0.0000  3723.56  174.999  739.887   17.476  739.887   17.476 -0.000000 0.000000 
1 1 1  -12    0   45 o  1476.11   32.930 14910.06  657.960   0.0000   0.0000 14910.06  657.960  1476.11   32.930  1476.11   32.930 -0.000000 0.000000 
1 1 1  -12    0   46 o  139.979   6.7928  135.107   12.702  128.704   18.424  140.907   17.535  136.663   10.074  143.296   9.1145 -0.000000 0.000000 
1 1 1  -12    0   47 o  190.633   6.4912  248.149   16.664  247.800   24.093  248.469   23.072  190.471   9.3864  190.796   8.9687 -0.000000 0.000000 
1 1 1  -12    0   48 o  1057.45   17.016  7632.63  243.549  7642.23  345.185  7623.12  343.681  1058.10   24.102  1056.80   24.026 -0.000000 0.000000 
1 1 1  -12    0   49 o  306.807   7.1271  640.443   29.550  645.746   42.397  635.432   41.209  308.032   10.182  305.582   9.9753 -0.000000 0.000000 
1 1 1  -12    0   50 o  1179.04   26.721  9515.46  426.438  9515.46  426.438   0.0000   0.0000  1179.04   26.721  1179.04   26.721 -0.000000 0.000000 
1 1 1  -12    0   51 o  315.352   10.330  676.947   44.037  676.947   44.037   0.0000   0.0000  315.352   10.330  315.352   10.330 -0.000000 0.000000 
1 1 1  -12    0   52 o  181.931   6.5107  225.947   15.924  230.844   23.397  221.721   21.734  183.735   9.4539  180.126   8.9543 -0.000000 0.000000 
1 1 1  -12    0   53 o  454.150   8.6721  1403.74   53.274  1411.41   76.126  1396.38   74.580  455.352   12.357  452.947   12.170 -0.000000 0.000000 
1 1 1  -12    0   54 o  128.435   7.1326  115.148   12.079   97.805   17.327  131.544   16.847  118.518   11.006  138.353   9.0751 -0.000000 0.000000 
1 1 1  -12    0   55 o  338.965   7.4591  781.531   34.163  803.419   49.479  761.589   47.228  343.492   10.653  334.437   10.444 -0.000000 0.000000 
1 1 1  -12    0   56 o  246.514   6.7709  414.308   22.520  415.472   32.588  413.245   31.155  246.814   9.7782  246.214   9.3684 -0.000000 0.000000 
1 1 1  -12    0   57 o  522.315   9.5333  1859.36   67.372  1836.17   95.281  1882.56   95.275  519.032   13.568  525.599   13.396 -0.000000 0.000000 
1 1 1  -12    0   58 o  326.686   7.3505  725.960   32.430  749.669   47.246  704.839   44.594  331.713   10.535  321.660   10.254 -0.000000 0.000000 
1 1 1  -12    0   59 o  101.214   8.1410   73.190   10.575   64.499   15.617   80.550   14.372   94.910   12.797  107.517   10.067 -0.000000 0.000000 
1 1 1  -12    0   60 o  220.906   9.2574  333.107   27.602   0.0000   0.0000  333.107   27.602  220.906   9.2574  220.906   9.2574 -0.000000 0.000000 
1 1 1  -12    0   61 o  479.825   12.698  1570.06   82.433   0.0000   0.0000  1570.06   82.433  479.825   12.698  479.825   12.698 -0.000000 0.000000 
1 1 1  -12    0   62 o  557.953   10.061  2125.74   75.951  2121.54  108.036  2129.85  106.796  557.378   14.325  558.529   14.130 -0.000000 0.000000 
1 1 1  -12    0   63 o  498.294   9.3108  1694.86   62.768  1681.32   89.082  1708.20   88.455  496.286   13.267  500.302   13.067 -0.000000 0.000000 
1 1 1  -12    0   64 o  315.034   7.3577  676.856   31.317  680.723   45.081  673.251   43.536  315.875   10.558  314.193   10.250 -0.000000 0.000000 
1 1 1  -12    0   65 o   72.512   11.379   40.399   9.7289   47.249   14.471   34.749   13.142   79.359   15.026   65.664   17.091 -0.000000 0.000000 
1 1 1  -12    0   66 o  201.469   9.8417  277.921   26.723  277.921   26.723   0.0000   0.0000  201.469   9.8417  201.469   9.8417 -0.000000 0.000000 
1 1 1  -12    0   67 o  415.044   8.3790  1176.21   47.031  1171.22   67.096  1181.02   65.942  414.144   11.978  415.945   11.720 -0.000000 0.000000 
1 1 1  -12    0   68 o  216.058   6.9529  320.473   20.165  286.692   28.577  353.974   28.459  204.491   10.373  227.625   9.2608 -0.000000 0.000000 
1 1 1  -12    0   69 o  314.842   7.4723  676.782   31.762  680.369   46.097  673.540   43.827  315.582   10.808  314.102   10.322 -0.000000 0.000000 
1 1 1  -12    0   70 o  126.142   7.5950  110.406   12.738  114.172   18.765  107.187   17.347  128.096   10.997  124.188   10.479 -0.000000 0.000000 
1 1 1  -12    0   71 o  128.985   7.6315  115.652   13.093  115.585   19.166  115.710   17.929  128.833   11.171  129.138   10.400 -0.000000 0.000000 
1 1 1  -12    0   72 o  221.076   6.9659  334.898   20.740  329.614   30.059  339.701   28.655  219.326   10.163  222.826   9.5292 -0.000000 0.000000 
1 1 1  -12    0   73 o  103.379   8.7539   75.972   11.706   76.174   17.593   75.812   15.681  103.187   13.167  103.572   11.539 -0.000000 0.000000 
1 1 1  -12    0   74 o  288.153   7.3127  568.021   28.447  568.916   41.106  567.198   39.408  288.315   10.553  287.992   10.126 -0.000000 0.000000 
1 1 1  -12    0   75 o  447.463   12.342  1372.09   74.713   0.0000   0.0000  1372.09   74.713  447.463   12.342  447.463   12.342 -0.000000 0.000000 
1 1 1  -12    0   76 o   74.273   16.390   42.908   14.429   0.0000   0.0000   42.908   14.429   74.273   16.390   74.273   16.390 -0.000000 0.000000 
1 1 1  -12    0   77 o   44.890   12.909   19.584   9.3239   6.9803   14.026   29.563   12.481   30.942   18.582   58.837   17.924 -0.000000 0.000000 
1 1 1  -12    0   78 o  224.988   7.0922  347.326   21.463  354.116   31.709  341.585   29.158  226.921   10.361  223.055   9.6878 -0.000000 0.000000 
1 1 1  -12    0   79 o  122.169   8.1467  105.948   13.029   95.224   19.130  115.225   17.794  115.777   12.568  128.561   10.369 -0.000000 0.000000 
1 1 1  -12    0   80 o  163.888   10.972  186.614   24.118  186.614   24.118   0.0000   0.0000  163.888   10.972  163.888   10.972 -0.000000 0.000000 
1 1 1  -12    0   82 o   25.489   16.461   0.4346   13.268   0.4346   13.268   0.0000   0.0000   25.489   16.461   25.489   16.461 -0.000000 0.000000 
1 1 1  -12    0   83 o   50.147   20.194   24.597   13.373   24.597   13.373   0.0000   0.0000   50.147   20.194   50.147   20.194 -0.000000 0.000000 
1 1 1  -12    0   84 o  174.612   7.0720  211.392   16.589  223.129   24.145  200.897   22.832  179.231   10.012  169.993   9.9902 -0.000000 0.000000 
1 1 1  -12    0   85 o  263.298   7.2631  480.112   25.803  493.273   37.438  468.203   35.613  266.674   10.396  259.923   10.146 -0.000000 0.000000 
1 1 1  -12    0   86 o  105.518   8.5843   80.381   11.846   82.476   17.110   78.452   16.418  106.834   12.234  104.202   12.045 -0.000000 0.000000 
1 1 1  -12    0   87 o  131.859   7.6846  123.399   13.478  114.820   19.157  131.807   18.966  126.972   11.342  136.747   10.372 -0.000000 0.000000 
1 1 1  -12    0   88 o  158.677   9.9899  176.712   21.286   0.0000   0.0000  176.712   21.286  158.677   9.9899  158.677   9.9899 -0.000000 0.000000 
1 1 1  -12    0   89 o   25.179   15.664   3.8208   10.786   0.0000   0.0000   3.8208   10.786   25.179   15.664   25.179   15.664 -0.000000 0.000000 
1 1 1  -12    0   90 f   22.683   14.711   0.5446   10.749   0.0000   0.0000   0.5446   10.749   22.683   14.711   22.683   14.711 -0.000000 0.000000 
1 1 1  -12    0   91 f   66.696   16.714   37.248   13.068   0.0000   0.0000   37.248   13.068   66.696   16.714   66.696   16.714 -0.000000 0.000000 
1 1 1  -12    1    1 o  323.456   5.5045  713.326   21.037  717.302   24.411  701.849   41.470  325.291   5.5376  321.621   9.5150 3.670837 11.00908 
1 1 1  -12    1    2 o  357.238   6.1176  849.902   27.772  821.789   33.581  910.750   49.404  348.126   7.1182  366.350   9.9513 -18.22443 12.23510 
1 1 1  -12    1    3 o  720.152   9.7208  3510.47   82.026  3497.14   94.568  3550.96  164.825  717.913   9.7205  722.391   16.837 -4.478149 19.44168 
1 1 1  -12    1    4 o  915.572   12.820  5738.70  150.558  5610.49  257.056  5805.64  185.754  907.006   20.914  924.137   14.833 -17.13104 25.63980 
1 1 1  -12    1    5 o  479.582   7.5727  1586.91   46.814  1474.32   78.036  1650.21   58.512  465.937   12.359  493.226   8.7541 -27.28937 15.14531 
1 1 1  -12    1    6 o  486.117   8.7647  1603.91   57.721  1561.80   80.529  1648.40   82.778  479.559   12.392  492.675   12.399 -13.11646 17.52932 
1 1 1  -12    1    7 o  464.525   7.3313  1470.21   43.612  1446.57   74.862  1482.36   53.658  461.563   11.969  467.486   8.4700 -5.922516 14.66257 
1 1 1  -12    1    8 o  917.027   12.797  5685.97  149.084  5840.23  262.690  5612.68  181.070  925.380   20.948  908.675   14.705 16.70508 25.59376 
1 1 1  -12    1    9 o  737.281   10.561  3704.73   99.656  3667.25  171.482  3723.83  122.458  734.049   17.239  740.513   12.203 -6.463867 21.12101 
1 1 1  -12    1   10 o  374.100   5.2222  948.712   26.469  925.890   37.054  972.495   37.825  369.507   7.3999  378.694   7.3707 -9.186737 10.44438 
1 1 1  -12    1   11 o  332.582   4.8957  750.008   22.064  746.022   31.153  754.021   31.255  331.695   6.9307  333.469   6.9164 -1.773895 9.791369 
1 1 1  -12    1   12 o  634.380   7.6002  2731.61   65.336  2746.41   92.691  2717.00   92.111  636.087   10.753  632.673   10.744 3.414063 15.20046 
1 1 1  -12    1   13 o  507.948   7.8905  1764.92   51.367  1793.55   63.385  1710.15   87.677  514.161   9.0971  501.736   12.895 12.42407 15.78108 
1 1 1  -12    1   14 o  361.825   6.3565  898.352   29.439  920.224   36.356  856.703   50.168  368.374   7.2829  355.277   10.420 13.09692 12.71306 
1 1 1  -12    1   15 o  304.011   4.7057  626.660   19.386  623.889   27.374  629.448   27.459  303.337   6.6593  304.685   6.6504 -1.348694 9.411418 
1 1 1  -12    1   16 o  309.193   4.7514  648.212   19.908  650.803   28.201  645.639   28.108  309.809   6.7172  308.577   6.7218 1.231750 9.502802 
1 1 1  -12    1   17 o  676.576   8.0317  3107.79   73.638  3090.08  103.781  3125.74  104.503  674.637   11.352  678.516   11.365 -3.878845 16.06347 
1 1 1  -12    1   18 o  962.849   10.948  6303.03  142.822  6408.49  204.232  6202.09  199.801  970.719   15.526  954.979   15.439 15.74023 21.89544 
1 1 1  -12    1   19 o  576.998   7.0672  2259.03   55.257  2238.69   77.749  2279.80   78.548  574.373   9.9890  579.622   10.000 -5.249329 14.13446 
1 1 1  -12    1   20 o  145.362   4.0874  143.253   8.0501  139.966   11.373  146.552   11.396  143.690   5.8409  147.033   5.7193 -3.343002 8.174806 
1 1 1  -12    1   21 o  1487.89   16.519 15113.44  333.061 15056.99  469.859 15170.46  472.188  1485.11   23.347  1490.68   23.375 -5.571655 33.03716 
1 1 1  -12    1   22 o  819.804   9.4759  4562.76  105.251  4653.49  150.728  4476.42  147.035  827.749   13.437  811.859   13.365 15.89075 18.95189 
1 1 1  -12    1   23 o  599.627   7.2976  2439.30   59.297  2456.17   84.218  2422.71   83.505  601.682   10.329  597.571   10.312 4.111084 14.59529 
1 1 1  -12    1   24 o  719.638   10.363  3518.71   95.390  3520.81  116.998  3514.54  164.744  720.253   11.987  719.022   16.908 1.230408 20.72576 
1 1 1  -12    1   25 o  214.333   5.2350  317.371   14.429  331.543   18.012  291.981   24.108  221.161   6.0098  207.505   8.5734 13.65598 10.46999 
1 1 1  -12    1   26 o  787.679   11.236  4241.98  113.627  4127.90  193.472  4302.05  140.390  779.213   18.322  796.145   13.012 -16.93158 22.47286 
1 1 1  -12    1   27 o  275.737   5.6473  516.037   19.920  513.756   34.375  517.191   24.443  275.251   9.2158  276.224   6.5298 -0.9733887 11.29467 
1 1 1  -12    1   28 o  434.348   5.8164  1278.92   34.234  1295.27   48.712  1262.97   48.121  437.090   8.2240  431.606   8.2274 5.484039 11.63289 
1 1 1  -12    1   29 f  446.477   5.9221  1351.42   35.830  1340.69   50.445  1362.35   50.900  444.688   8.3711  448.265   8.3791 -3.576782 11.84421 
1 1 1  -12    1   30 o  619.175   7.5015  2600.10   62.942  2609.32   89.193  2590.95   88.835  620.268   10.611  618.081   10.606 2.187073 15.00295 
1 1 1  -12    1   31 o  379.893   5.3759  978.318   27.676  982.899   39.236  973.783   39.043  380.779   7.6038  379.009   7.6017 1.769928 10.75189 
1 1 1  -12    1   32 o  572.528   14.161  2224.72  109.866  2224.72  109.866   0.0000   0.0000  572.528   14.161  ?   ?       ?      ? 
1 1 1  -12    1   33 o  487.066   8.9345  1609.47   58.969  1629.79   83.752  1589.50   83.042  490.116   12.610  484.017   12.661 6.098419 17.86900 
1 1 1  -12    1   34 o  345.124   5.1316  807.414   24.000  810.267   33.973  804.572   33.908  345.732   7.2513  344.515   7.2630 1.217407 10.26313 
1 1 1  -12    1   35 o  633.774   7.6590  2723.71   65.770  2769.49   93.933  2679.67   92.120  638.997   10.848  628.552   10.815 10.44501 15.31794 
1 1 1  -12    1   36 o  355.515   5.2265  856.757   25.179  865.573   35.768  848.096   35.452  357.328   7.3865  353.702   7.3963 3.626190 10.45307 
1 1 1  -12    1   37 o  823.290   9.5406  4599.11  106.423  4683.52  152.249  4518.46  148.818  830.671   13.525  815.909   13.460 14.76166 19.08114 
1 1 1  -12    1   38 o  746.006   8.7730  3774.74   88.665  3865.18  127.220  3689.32  123.640  754.687   12.440  737.325   12.374 17.36261 17.54601 
1 1 1  -12    1   39 o  473.711   6.2114  1521.72   39.873  1528.62   56.500  1514.88   56.280  474.780   8.7816  472.641   8.7869 2.138275 12.42280 
1 1 1  -12    1   40 o  729.427   8.6182  3610.78   85.183  3653.96  121.335  3568.82  119.617  733.725   12.203  725.130   12.173 8.594910 17.23645 
1 1 1  -12    1   41 o  547.002   6.8744  2029.68   50.957  2039.58   72.237  2019.88   71.892  548.330   9.7215  545.675   9.7222 2.654236 13.74874 
1 1 1  -12    1   42 o  572.886   7.1168  2226.65   55.249  2211.12   77.837  2242.41   78.434  570.874   10.061  574.898   10.068 -4.024170 14.23350 
1 1 1  -12    1   43 o  793.848   9.2670  4280.13   99.692  4286.75  141.126  4273.54  140.845  794.460   13.108  793.235   13.103 1.224487 18.53398 
1 1 1  -12    1   44 o  809.765   13.343  4464.04  146.388  4369.64  204.380  4563.50  209.774  800.987   18.829  818.543   18.912 -17.55658 26.68674 
1 1 1  -12    1   45 o  293.562   4.9277  584.357   19.603  588.402   27.787  580.349   27.658  294.574   6.9610  292.551   6.9766 2.023163 9.855327 
1 1 1  -12    1   46 o  573.465   7.1428  2232.13   55.508  2240.78   78.713  2223.57   78.290  574.569   10.109  572.360   10.094 2.209106 14.28570 
1 1 1  -12    1   47 o  305.886   4.9933  634.570   20.697  627.398   29.231  641.781   29.310  304.152   7.0920  307.621   7.0309 -3.469086 9.986502 
1 1 1  -12    1   48 o  208.762   4.5714  295.544   12.932  297.553   18.324  293.550   18.254  209.469   6.4555  208.055   6.4743 1.414215 9.142735 
1 1 1  -12    1   49 o  531.601   6.7757  1918.02   48.802  1961.47   69.837  1876.56   68.225  537.481   9.5882  525.720   9.5764 11.76123 13.55147 
1 1 1  -12    1   50 f  592.859   10.452  2393.95   83.965  2432.81  119.728  2356.34  117.784  597.592   14.785  588.125   14.779 9.466492 20.90428 
1 1 1  -12    1   51 o  172.046   5.7067  197.551   12.488  210.581   22.149  191.478   15.121  176.086   9.2820  168.005   6.6416 8.081223 11.41343 
1 1 1  -12    1   52 o  558.829   7.0375  2121.77   53.289  2152.34   76.024  2092.24   74.716  562.784   9.9684  554.875   9.9366 7.908691 14.07500 
1 1 1  -12    1   53 o  290.081   4.9344  571.039   19.397  575.126   27.476  566.978   27.386  291.116   6.9647  289.045   6.9917 2.071289 9.868725 
1 1 1  -12    1   54 o  273.842   4.8554  508.702   18.014  494.334   25.184  523.756   25.777  269.883   6.8858  277.801   6.8474 -7.918030 9.710881 
1 1 1  -12    1   55 o  517.119   6.6770  1817.87   46.789  1831.74   66.434  1804.22   65.909  519.076   9.4444  515.163   9.4410 3.913635 13.35400 
1 1 1  -12    1   56 o  490.141   6.4447  1632.12   42.792  1681.15   61.440  1585.94   59.634  497.284   9.1173  482.998   9.1110 14.28607 12.88932 
1 1 1  -12    1   57 o  421.563   5.8760  1206.80   33.556  1246.69   48.214  1169.33   46.731  428.314   8.3068  414.812   8.3132 13.50183 11.75209 
1 1 1  -12    1   58 o  158.258   4.7153  170.039   10.112  173.012   14.344  167.103   14.256  159.634   6.6309  156.881   6.7058 2.753082 9.430575 
1 1 1  -12    1   59 o  433.034   5.9833  1274.80   35.109  1258.90   49.291  1291.16   50.019  430.297   8.4531  435.772   8.4702 -5.475098 11.96659 
1 1 1  -12    1   60 o  540.712   8.4542  1990.76   58.465  2010.30  101.218  1980.97   71.622  542.050   13.780  539.375   9.7988 2.674988 16.90835 
1 1 1  -12    1   61 o  208.197   6.4618  294.954   18.228  302.708   26.009  287.468   25.553  210.889   9.1009  205.505   9.1758 5.384888 12.92366 
1 1 1  -12    1   62 o  126.620   5.0394  108.815   8.6240  120.263   12.432   98.195   11.974  133.044   6.8953  120.196   7.3511 12.84766 10.07886 
1 1 1  -12    1   63 o  304.541   5.1088  630.414   21.084  630.991   29.882  629.842   29.751  304.678   7.2376  304.404   7.2123 0.2741394 10.21760 
1 1 1  -12    1   64 o  214.212   4.7815  311.706   13.876  301.627   19.427  322.205   19.828  210.674   6.8046  217.750   6.7194 -7.075943 9.563085 
1 1 1  -12    1   65 f  353.372   5.4676  849.277   26.177  837.849   36.576  861.279   37.481  350.943   7.6908  355.801   7.7737 -4.857697 10.93520 
1 1 1  -12    1   66 o  350.487   7.8012  839.436   37.050  828.824   52.018  850.361   52.783  348.242   11.023  352.732   11.042 -4.490051 15.60244 
1 1 1  -12    1   67 o  305.773   6.3612  632.992   24.676  649.728   43.584  625.096   29.937  308.411   10.428  303.135   7.2876 5.275879 12.72235 
1 1 1  -12    1   68 o  313.750   5.2062  669.820   22.135  672.864   31.344  666.792   31.264  314.462   7.3553  313.038   7.3701 1.424652 10.41238 
1 1 1  -12    1   69 o  189.411   4.9021  243.990   12.578  253.404   17.926  234.859   17.653  193.018   6.8532  185.804   7.0110 7.213730 9.804107 
1 1 1  -12    1   70 o  201.858   4.8168  277.190   13.174  271.142   18.590  283.291   18.673  199.639   6.8715  204.077   6.7520 -4.437943 9.633615 
1 1 1  -12    1   71 o  349.153   5.4464  830.415   25.770  832.973   36.487  827.870   36.400  349.690   7.6997  348.616   7.7051 1.074188 10.89282 
1 1 1  -12    1   72 o  208.602   4.8722  295.944   13.764  311.080   19.748  281.642   19.195  213.795   6.8161  203.408   6.9637 10.38683 9.744350 
1 1 1  -12    1   73 o  189.965   4.9177  245.720   12.659  242.710   17.867  248.754   17.938  188.793   6.9836  191.137   6.9255 -2.344131 9.835303 
1 1 1  -12    1   74 o  156.539   5.1148  167.077   10.835  156.316   15.258  178.026   15.390  151.426   7.4354  161.652   7.0255 -10.22620 10.22953 
1 1 1  -12    1   75 o  207.317   5.9435  292.859   15.880  296.479   27.079  290.962   19.605  208.021   9.6059  206.612   7.0021 1.408691 11.88710 
1 1 1  -12    1   76 o  197.581   6.0770  276.623   15.427  302.781   19.561  233.579   25.093  210.732   6.8499  184.431   10.040 26.30099 12.15409 
1 1 1  -12    1   77 o  215.736   5.9096  316.992   16.479  313.223   20.388  324.094   27.987  214.222   7.0229  217.251   9.5063 -3.028488 11.81913 
1 1 1  -12    1   78 o  116.334   6.8945   90.616   10.232  100.634   18.179   85.971   12.378  120.641   11.120  112.027   8.1537 8.613823 13.78892 
1 1 1  -12    1   79 o  204.969   4.9942  287.317   13.859  271.353   19.486  303.658   19.714  199.165   7.2200  210.773   6.9021 -11.60864 9.988329 
1 1 1  -12    1   80 o   99.248   7.6413   66.049   9.6842   61.811   11.702   75.258   17.250   94.704   9.1185  103.793   12.264 -9.089333 15.28267 
1 1 1  -12    1   81 o  179.193   6.2728  226.074   14.189  208.335   24.545  234.977   17.389  173.182   10.459  185.203   6.9287 -12.02174 12.54563 
1 1 1  -12    1   82 o  108.303   5.6482   80.668   8.2776   87.011   11.932   74.783   11.493  112.436   7.8311  104.171   8.1415 8.265152 11.29643 
1 1 1  -12    1   83 o   64.959   7.9177   30.285   6.7008   37.664   9.6074   23.295   9.3504   73.576   9.6357   56.342   12.566 17.23460 15.83547 
1 1 1  -12    1   84 o   74.022   6.9691   38.248   6.9487   44.044   10.042   32.922   9.6252   79.517   9.3191   68.527   10.365 10.99044 13.93827 
1 1 1  -12    1   85 o   76.965   8.3824   38.453   8.0739   64.191   13.943   25.468   9.9034   95.353   10.790   58.578   12.831 36.77485 16.76479 
1 1 1  -12    1   86 o  158.560   6.3653  174.492   12.984  171.461   15.974  180.392   22.288  157.314   7.4932  159.806   10.292 -2.491928 12.73068 
1 1 1  -12    1   87 o  102.555   6.9234   70.585   9.1346   63.209   11.060   86.413   16.202   95.037   8.5877  110.074   10.862 -15.03705 13.84672 
1 1 1  -12    1   88 o   50.793   10.200   19.345   7.1511   22.251   11.831   17.672   8.9763   53.400   15.462   48.186   13.307 5.213715 20.39987 
1 1 1  -12    1   89 o   48.367   11.075   17.866   8.3530   14.583   11.553   21.463   12.091   44.571   15.555   52.163   15.768 -7.591583 22.14943 
1 1 1  -12    1   90 o   56.954   10.847   25.632   8.9308   35.691   12.901   16.377   12.376   67.490   14.535   46.418   16.105 21.07203 21.69448 
1 1 1  -12    1   91 o  120.447   7.5596  105.505   12.325  100.124   17.433  110.881   17.427  117.150   10.981  123.743   10.393 -6.593262 15.11929 
1 1 1  -12    1   92 o   34.983   14.486   5.1306   11.224   5.1306   11.224   0.0000   0.0000   34.983   14.486  ?   ?       ?      ? 
1 1 1  -12    2    1 o  173.796   4.7236  208.369   10.566  216.921   13.187  193.034   17.658  178.885   5.4397  168.708   7.7238 10.17627 9.447129 
1 1 1  -12    2    2 o  283.729   5.0939  539.008   17.098  531.938   19.762  560.055   34.098  280.131   5.2057  287.327   8.7573 -7.195862 10.18777 
1 1 1  -12    2    3 o  474.584   6.9388  1494.74   38.368  1463.70   43.933  1594.53   78.769  464.605   6.9778  484.562   11.996 -19.95624 13.87757 
1 1 1  -12    2    4 o  242.260   4.8568  403.706   14.028  410.268   16.402  385.833   27.070  246.023   4.9197  238.498   8.3756 7.524475 9.713650 
1 1 1  -12    2    5 o  272.470   5.0321  500.856   16.281  498.121   18.890  508.756   32.106  271.082   5.1423  273.857   8.6513 -2.774933 10.06421 
1 1 1  -12    2    6 o  606.167   7.3120  2492.46   60.046  2553.20   86.155  2435.10   83.734  613.341   10.366  598.992   10.316 14.34839 14.62392 
1 1 1  -12    2    7 o  275.400   5.5242  516.045   19.341  509.607   33.719  519.201   23.611  274.070   9.0787  276.730   6.2962 -2.660309 11.04834 
1 1 1  -12    2    8 o  252.062   5.3589  433.967   17.159  421.945   29.838  439.908   20.975  249.395   8.8288  254.729   6.0762 -5.334808 10.71770 
1 1 1  -12    2    9 o  463.565   8.4590  1457.68   53.139   0.0000   0.0000  1457.68   53.139  ?   ?   463.565   8.4590      ?      ? 
1 1 1  -12    2   10 o  286.546   6.5277  557.073   25.347  553.519   35.750  560.666   35.943  285.626   9.2362  287.465   9.2267 -1.838379 13.05531 
1 1 1  -12    2   11 o  169.597   4.9004  189.302   10.537  179.590   12.667  211.128   18.988  162.761   5.7428  176.433   7.9419 -13.67184 9.800723 
1 1 1  -12    2   12 o  223.454   4.1954  338.445   12.702  329.030   17.842  348.121   18.087  220.302   5.9763  226.605   5.8899 -6.302719 8.390891 
1 1 1  -12    2   13 o  675.256   8.0086  3094.52   73.268  3158.84  104.951  3033.37  102.332  682.094   11.354  668.417   11.297 13.67651 16.01724 
1 1 1  -12    2   14 o  554.034   8.4068  2077.98   59.288  2065.66   72.253  2103.36  103.730  551.738   9.6636  556.330   13.759 -4.591370 16.81355 
1 1 1  -12    2   15 o  654.814   9.6048  2920.90   80.379  2935.59   98.615  2891.81  138.741  657.591   11.066  652.037   15.702 5.553284 19.20966 
1 1 1  -12    2   16 o  234.528   4.2786  372.890   13.598  368.483   19.188  377.336   19.272  233.136   6.0734  235.921   6.0282 -2.784912 8.557171 
1 1 1  -12    2   17 f  397.614   5.4458  1072.01   29.341  1056.02   41.206  1088.45   41.789  394.608   7.7057  400.620   7.6975 -6.012909 10.89168 
1 1 1  -12    2   18 o  522.532   6.5529  1852.34   46.401  1843.01   65.455  1861.77   65.786  521.209   9.2673  523.855   9.2671 -2.646790 13.10575 
1 1 1  -12    2   19 o  458.520   5.9787  1425.88   37.148  1438.16   52.792  1413.83   52.282  460.475   8.4602  456.565   8.4502 3.910553 11.95749 
1 1 1  -12    2   20 o  770.349   8.9681  4029.67   93.620  4037.56  132.573  4021.81  132.225  771.101   12.687  769.597   12.678 1.503479 17.93616 
1 1 1  -12    2   21 o  867.699   9.9556  5114.34  117.062  5092.24  165.116  5136.67  165.988  865.815   14.073  869.582   14.086 -3.766785 19.91120 
1 1 1  -12    2   22 o  753.382   8.7988  3852.85   89.828  3827.60  126.547  3878.50  127.532  750.894   12.436  755.869   12.451 -4.974731 17.59764 
1 1 1  -12    2   23 o  248.389   5.3115  415.260   16.990  408.698   20.904  428.033   29.165  245.543   6.2822  251.236   8.5664 -5.692535 10.62307 
1 1 1  -12    2   24 o  134.183   4.8563  118.232   8.5029  108.895   10.505  135.973   14.480  126.748   6.1159  141.618   7.5453 -14.86993 9.712651 
1 1 1  -12    2   25 o  205.855   4.2657  287.235   11.899  291.673   16.855  282.825   16.800  207.441   5.9958  204.269   6.0692 3.171585 8.531354 
1 1 1  -12    2   26 o  711.641   10.304  3452.12   93.925  3395.47  161.138  3481.27  115.591  706.966   16.820  716.315   11.908 -9.348572 20.60829 
1 1 1  -12    2   27 o  949.421   13.254  6126.26  160.698  6128.62  278.532  6125.09  196.745  949.058   21.657  949.784   15.286 -0.7264404 26.50840 
1 1 1  -12    2   28 o  775.522   9.0374  4080.92   94.977  4089.22  134.498  4072.66  134.138  776.308   12.785  774.736   12.777 1.572693 18.07477 
1 1 1  -12    2   29 o  432.302   5.8041  1266.97   34.001  1258.64   47.959  1275.38   48.213  430.873   8.2136  433.730   8.2027 -2.856964 11.60813 
1 1 1  -12    2   30 o  327.674   4.9895  727.779   22.155  720.464   31.220  735.199   31.445  326.016   7.0666  329.333   7.0459 -3.317413 9.979079 
1 1 1  -12    2   31 o  893.193   12.539  5418.30  143.096  5424.46  247.826  5415.22  175.265  893.182   20.475  893.203   14.480 -0.2148438E-01 25.07766 
1 1 1  -12    2   32 o  884.585   14.390  5314.87  172.403  5498.99  248.761  5144.69  239.151  899.302   20.412  869.867   20.288 29.43427 28.77957 
1 1 1  -12    2   33 o  449.343   7.3541  1369.85   42.095  1370.84   51.418  1367.83   73.305  449.661   8.4382  449.025   12.047 0.6362610 14.70829 
1 1 1  -12    2   34 o  1293.85   14.417 11383.81  252.774 11427.35  358.457 11340.75  356.504  1296.31   20.405  1291.39   20.372 4.913818 28.83369 
1 1 1  -12    2   35 o  822.848   9.5312  4594.56  106.272  4650.67  151.398  4540.06  149.207  827.798   13.496  817.898   13.462 9.900452 19.06235 
1 1 1  -12    2   36 o  969.188   11.025  6377.93  144.789  6466.88  206.602  6292.08  202.973  975.823   15.624  962.553   15.561 13.26965 22.05070 
1 1 1  -12    2   37 o  361.206   5.3062  884.439   25.972  896.357   36.910  872.753   36.551  363.616   7.4907  358.795   7.5174 4.820190 10.61240 
1 1 1  -12    2   38 f  1021.58   11.581  7090.89  160.316  7147.68  227.895  7035.25  225.566  1025.63   16.397  1017.53   16.358 8.091553 23.16157 
1 1 1  -12    2   39 o  536.620   6.7808  1953.07   49.308  1940.63   69.452  1965.71   70.016  534.898   9.5815  538.342   9.5975 -3.443481 13.56158 
1 1 1  -12    2   40 o  474.828   6.2302  1529.01   40.087  1516.83   56.467  1541.38   56.920  472.922   8.8110  476.734   8.8105 -3.812592 12.46031 
1 1 1  -12    2   41 o  1009.39   11.464  6926.68  156.809  6953.38  222.279  6900.23  221.246  1011.32   16.219  1007.45   16.206 3.869690 22.92783 
1 1 1  -12    2   42 o  245.065   4.6377  407.149   15.401  405.326   21.688  409.004   21.875  244.512   6.5455  245.618   6.5720 -1.106277 9.275462 
1 1 1  -12    2   43 o  1231.25   19.601 10382.83  327.030 10469.42  465.385 10298.36  459.650  1236.29   27.778  1226.20   27.662 10.08582 39.20235 
1 1 1  -12    2   44 o  584.010   10.209  2316.15   80.755  2386.54  116.518  2251.09  112.025  592.531   14.511  575.488   14.365 17.04272 20.41849 
1 1 1  -12    2   45 o  528.574   6.7279  1895.80   48.190  1882.08   67.868  1909.76   68.439  526.645   9.5096  530.503   9.5199 -3.857788 13.45588 
1 1 1  -12    2   46 o  300.470   4.9484  612.212   20.148  606.119   28.344  618.435   28.646  298.958   6.9962  301.980   7.0000 -3.022003 9.896773 
1 1 1  -12    2   47 o  458.955   6.1311  1429.33   38.132  1434.64   54.014  1424.06   53.841  459.804   8.6687  458.106   8.6729 1.697876 12.26230 
1 1 1  -12    2   48 o  501.449   6.5084  1706.13   44.217  1746.92   63.309  1667.29   61.783  507.297   9.2091  495.601   9.1993 11.69656 13.01672 
1 1 1  -12    2   49 o  400.154   7.0167  1095.40   35.830  1111.55   44.004  1063.64   61.722  404.723   8.0234  395.586   11.514 9.137054 14.03349 
1 1 1  -12    2   50 o  758.708   12.744  3931.08  130.991  4033.45  187.859  3834.22  182.746  768.309   18.043  749.107   18.002 19.20123 25.48780 
1 1 1  -12    2   51 o  351.610   5.3145  839.003   25.322  844.641   35.880  833.409   35.741  352.788   7.5052  350.433   7.5264 2.355011 10.62892 
1 1 1  -12    2   52 o  505.285   6.5527  1734.37   44.866  1752.27   63.775  1716.82   63.131  507.867   9.2666  502.704   9.2671 5.163208 13.10531 
1 1 1  -12    2   53 o  346.226   5.2806  813.629   24.774  827.195   35.243  800.378   34.832  349.080   7.4501  343.372   7.4856 5.707916 10.56115 
1 1 1  -12    2   54 o  306.768   5.0278  638.750   20.900  631.355   29.423  646.281   29.694  304.975   7.1194  308.560   7.1014 -3.585419 10.05563 
1 1 1  -12    2   55 o  441.183   6.0268  1322.42   36.030  1308.55   50.678  1336.59   51.236  438.844   8.5216  443.521   8.5247 -4.677032 12.05359 
1 1 1  -12    2   56 o  356.221   5.3717  861.824   25.931  858.939   36.580  864.737   36.763  355.623   7.5905  356.819   7.6030 -1.196899 10.74345 
1 1 1  -12    2   57 o  404.136   5.7489  1109.75   31.483  1124.14   44.771  1095.68   44.279  406.729   8.1228  401.544   8.1374 5.184387 11.49772 
1 1 1  -12    2   58 o  525.967   6.7745  1882.25   48.283  1907.04   68.727  1858.09   67.846  529.386   9.5801  522.548   9.5811 6.837769 13.54903 
1 1 1  -12    2   59 o  163.508   4.7404  181.461   10.501  187.442   15.028  175.754   14.679  166.141   6.6747  160.874   6.7332 5.266464 9.480895 
1 1 1  -12    2   60 o  248.430   5.8207  417.145   18.622  427.771   31.919  411.662   22.929  250.680   9.3961  246.180   6.8729 4.499695 11.64147 
1 1 1  -12    2   61 o  500.267   8.0076  1715.28   51.480  1731.65   63.613  1684.23   87.637  504.317   9.3081  496.217   13.033 8.099670 16.01526 
1 1 1  -12    2   62 o  180.377   4.7108  221.020   11.514  218.015   16.223  224.069   16.345  179.141   6.6827  181.614   6.6414 -2.473160 9.421586 
1 1 1  -12    2   63 o  448.115   6.1381  1367.01   37.274  1372.19   52.723  1361.83   52.703  448.967   8.6657  447.263   8.6954 1.704224 12.27618 
1 1 1  -12    2   64 o  255.252   4.8923  442.760   16.921  435.272   23.740  450.491   24.124  253.058   6.9228  257.445   6.9147 -4.387161 9.784641 
1 1 1  -12    2   65 o   62.591   9.7723   29.590   7.7002   33.341   9.2580   21.173   13.870   69.917   9.7712   55.265   16.927 14.65211 19.54462 
1 1 1  -12    2   66 o  317.338   6.4021  679.476   25.803  706.232   45.613  666.885   31.290  321.570   10.467  313.107   7.3745 8.462921 12.80410 
1 1 1  -12    2   67 o  135.927   6.3530  126.525   10.902  124.379   19.226  127.542   13.235  134.921   10.515  136.934   7.1323 -2.013382 12.70592 
1 1 1  -12    2   68 o  104.961   5.7778   75.046   8.2029   69.128   11.490   81.199   11.715  100.723   8.4179  109.199   7.9164 -8.476181 11.55554 
1 1 1  -12    2   69 o  531.156   6.9229  1926.59   49.827  1904.73   69.970  1949.09   70.973  528.104   9.7771  534.207   9.8040 -6.102966 13.84589 
1 1 1  -12    2   70 o   91.189   6.2231   56.715   7.6885   58.344   10.938   55.124   10.810   92.488   8.7269   89.890   8.8741 2.598633 12.44621 
1 1 1  -12    2   71 o  232.080   4.9200  366.522   15.472  361.490   21.749  371.678   22.016  230.466   6.9639  233.693   6.9520 -3.226974 9.840053 
1 1 1  -12    2   72 o  471.141   6.4426  1516.12   41.129  1510.05   57.676  1522.40   58.666  470.207   9.0516  472.076   9.1705 -1.869110 12.88527 
1 1 1  -12    2   73 o  119.688   6.7183   99.841   10.471  105.464   13.323   90.755   16.935  124.353   7.9060  115.023   10.865 9.329788 13.43660 
1 1 1  -12    2   74 o  231.310   7.0089  364.556   21.970   0.0000   0.0000  364.556   21.970  ?   ?   231.310   7.0089      ?      ? 
1 1 1  -12    2   75 o  126.851   6.4827  108.358   10.649  116.284   18.212  104.240   13.128  130.141   10.326  123.561   7.8401 6.579422 12.96545 
1 1 1  -12    2   76 o  114.001   6.7337   89.977   9.8860   91.893   12.287   86.458   16.648  115.969   7.8185  112.034   10.965 3.934418 13.46737 
1 1 1  -12    2   77 o   89.880   6.3688   55.501   7.7297   61.242   10.989   49.879   10.875   94.538   8.5773   85.221   9.4169 9.317535 12.73765 
1 1 1  -12    2   78 o  154.573   5.0816  163.287   10.643  159.662   14.944  167.018   15.161  152.827   7.2159  156.319   7.1568 -3.492142 10.16314 
1 1 1  -12    2   79 o  118.161   7.0849   99.804   10.415  105.875   12.696   87.311   18.211  124.332   7.5353  111.990   12.000 12.34253 14.16979 
1 1 1  -12    2   80 o   99.728   6.1857   68.498   8.3560   68.901   11.667   68.073   11.973  100.055   8.6049   99.400   8.8887 0.6549225 12.37146 
1 1 1  -12    2   81 o  195.955   6.0994  262.599   15.207  271.177   26.716  258.487   18.495  197.730   9.9705  194.180   7.0286 3.549713 12.19886 
1 1 1  -12    2   82 o  179.155   4.9594  220.214   12.036  228.310   17.219  212.479   16.832  182.388   6.9667  175.921   7.0603 6.467163 9.918858 
1 1 1  -12    2   83 o   55.155   8.6382   22.210   6.4775   15.769   9.2013   28.538   9.1205   46.459   13.688   63.850   10.541 -17.39151 17.27641 
1 1 1  -12    2   84 o   97.924   5.8949   66.555   7.7932   59.563   10.942   73.753   11.102   92.593   8.7204  103.254   7.9345 -10.66074 11.78985 
1 1 1  -12    2   85 o  105.017   5.7561   76.584   8.1580   67.867   11.390   85.765   11.690   98.762   8.5106  111.272   7.7525 -12.50976 11.51227 
1 1 1  -12    2   86 o  170.153   5.0126  200.018   11.518  223.412   16.602  178.305   15.994  179.869   6.8110  160.438   7.3564 19.43137 10.02526 
1 1 1  -12    2   87 o   64.395   9.3392   31.989   7.6131   27.080   12.864   34.635   9.4446   58.869   15.797   69.922   9.9675 -11.05352 18.67850 
1 1 1  -12    2   88 o   67.800   9.2717   36.455   7.8816   27.429   12.987   41.719   9.9168   58.882   15.902   76.718   9.5388 -17.83554 18.54337 
1 1 1  -12    2   89 o   48.462   10.750   17.494   8.4764   26.815   11.976   8.1369   11.999   58.268   15.059   38.655   15.347 19.61319 21.50080 
1 1 1  -12    2   90 o  107.317   7.9960   83.899   11.588   74.989   16.057   93.582   16.739  101.096   11.721  113.538   10.880 -12.44237 15.99199 
1 1 1  -12    2   91 o   53.352   15.992   23.164   12.475   23.164   12.475   0.0000   0.0000   53.352   15.992  ?   ?       ?      ? 
1 1 1  -12    2   92 o   97.602   11.631   70.557   15.383   70.557   15.383   0.0000   0.0000   97.602   11.631  ?   ?       ?      ? 
1 1 1  -12    3    1 o  361.899   5.0931  887.870   24.974  908.187   35.653  868.299   34.994  365.963   7.1891  357.835   7.2164 8.127960 10.18629 
1 1 1  -12    3    2 o  315.338   4.7353  674.222   20.235  678.374   28.673  670.102   28.560  316.306   6.6894  314.371   6.7040 1.935089 9.470592 
1 1 1  -12    3    3 o   90.024   4.2634   54.365   4.8724   53.325   5.9039   56.585   8.6281   88.697   4.9119   91.350   6.9698 -2.653511 8.526714 
1 1 1  -12    3    4 o  475.830   6.9610  1530.09   39.094  1523.55   45.230  1549.40   77.739  474.005   7.0414  477.654   12.010 -3.649506 13.92198 
1 1 1  -12    3    5 o  373.653   6.3572  962.289   30.716  1000.95   38.534  894.914   50.870  384.187   7.4015  363.119   10.338 21.06754 12.71432 
1 1 1  -12    3    6 o  434.751   6.5618  1289.98   33.874  1298.24   39.420  1266.64   66.230  437.573   6.6479  431.930   11.315 5.642731 13.12353 
1 1 1  -12    3    7 o  360.333   10.006  881.142   48.857   0.0000   0.0000  881.142   48.857  ?   ?   360.333   10.006      ?      ? 
1 1 1  -12    3    8 o  480.709   7.5652  1573.29   46.377  1554.44   80.362  1582.70   56.787  478.396   12.396  483.022   8.6756 -4.626038 15.13036 
1 1 1  -12    3    9 o   85.811   4.1503   49.942   4.8236   49.085   6.8973   50.762   6.7484   85.090   5.9816   86.533   5.7550 -1.442841 8.300548 
1 1 1  -12    3   10 o  314.284   4.7516  669.575   20.234  681.605   28.878  657.973   28.360  317.057   6.7213  311.512   6.7182 5.544769 9.503111 
1 1 1  -12    3   11 o  367.813   5.1796  916.811   25.808  885.524   36.003  949.880   37.014  361.362   7.3522  374.265   7.2980 -12.90295 10.35928 
1 1 1  -12    3   12 o  140.414   3.9594  133.556   7.5309  138.758   10.808  128.647   10.500  143.070   5.5744  137.758   5.6244 5.312042 7.918825 
1 1 1  -12    3   13 o  771.710   8.9721  4044.13   93.817  4102.52  133.919  3987.85  131.469  777.174   12.716  766.245   12.661 10.92975 17.94422 
1 1 1  -12    3   14 o  604.290   10.421  2481.14   85.315  2427.99  119.087  2537.17  122.285  597.650   14.704  610.930   14.771 -13.28052 20.84174 
1 1 1  -12    3   15 o  333.960   7.1015  756.445   32.131  737.956   44.890  775.868   46.011  329.777   10.045  338.142   10.041 -8.365204 14.20293 
1 1 1  -12    3   16 o  755.179   10.835  3888.72  104.629  3912.88  128.480  3841.14  180.285  759.092   12.490  751.267   17.709 7.824341 21.67002 
1 1 1  -12    3   17 o  1168.93   13.094  9299.58  207.402  9425.62  295.973  9177.98  290.718  1176.70   18.561  1161.16   18.475 15.53577 26.18888 
1 1 1  -12    3   18 o  417.092   5.6119  1179.62   31.718  1166.46   44.645  1193.03   45.071  414.744   7.9435  419.441   7.9294 -4.697235 11.22383 
1 1 1  -12    3   19 o  518.690   6.5204  1824.73   45.830  1839.89   65.126  1809.87   64.505  520.823   9.2275  516.557   9.2149 4.266174 13.04077 
1 1 1  -12    3   20 o  626.486   9.2108  2667.52   73.926  2673.39   90.853  2656.03  127.175  627.712   10.681  625.259   15.009 2.453247 18.42156 
1 1 1  -12    3   21 o  691.549   10.042  3296.25   89.852  3421.23  112.729  3078.53  148.786  710.039   11.716  673.058   16.313 36.98193 20.08397 
1 1 1  -12    3   22 o  1279.36   20.167 11137.61  349.634 11137.61  349.634   0.0000   0.0000  1279.36   20.167  ?   ?       ?      ? 
1 1 1  -12    3   23 o  440.582   5.8483  1315.49   34.909  1350.30   50.013  1282.42   48.748  446.262   8.2700  434.902   8.2715 11.36005 11.69662 
1 1 1  -12    3   24 o  458.422   6.0071  1424.67   37.315  1404.82   52.400  1445.08   53.150  455.184   8.4950  461.659   8.4957 -6.475006 12.01423 
1 1 1  -12    3   25 o  939.600   10.711  5994.27  136.382  6007.26  193.270  5981.38  192.480  940.613   15.162  938.588   15.133 2.024841 21.42220 
1 1 1  -12    3   26 o  557.050   8.4853  2104.03   60.274  2108.58  104.840  2101.79   73.665  557.380   13.880  556.720   9.7643 0.6604004 16.97051 
1 1 1  -12    3   27 o  262.037   4.5469  465.397   16.146  462.584   22.775  468.238   22.892  261.241   6.4334  262.833   6.4272 -1.591614 9.093815 
1 1 1  -12    3   28 o  620.220   7.5133  2608.57   63.144  2639.93   89.924  2578.07   88.686  623.896   10.636  616.544   10.615 7.351501 15.02658 
1 1 1  -12    3   29 o  358.005   6.3431  863.451   28.990  885.494   50.599  852.679   35.371  361.345   10.333  354.665   7.3595 6.680481 12.68619 
1 1 1  -12    3   30 o  745.594   10.712  3798.69  102.618  3695.09  174.441  3853.51  126.898  737.535   17.454  753.653   12.425 -16.11749 21.42455 
1 1 1  -12    3   31 o  301.675   4.8359  616.647   19.765  598.609   27.672  635.433   28.240  297.172   6.8715  306.178   6.8063 -9.005280 9.671805 
1 1 1  -12    3   32 o  350.238   6.3813  825.757   28.345  815.020   34.362  848.616   50.140  346.743   7.3129  353.733   10.460 -6.989502 12.76268 
1 1 1  -12    3   33 o  409.474   5.6620  1136.72   31.418  1139.06   44.376  1134.37   44.488  409.897   7.9889  409.051   8.0256 0.8457031 11.32400 
1 1 1  -12    3   34 o  507.703   6.5026  1747.14   44.729  1788.25   64.026  1707.94   62.514  513.535   9.2003  501.872   9.1918 11.66324 13.00519 
1 1 1  -12    3   35 o  761.417   8.9237  3934.19   92.077  3943.82  130.402  3924.62  130.031  762.346   12.623  760.488   12.618 1.857788 17.84748 
1 1 1  -12    3   36 o  815.645   9.4691  4515.84  104.663  4521.29  148.130  4510.42  147.902  816.135   13.394  815.154   13.389 0.9812622 18.93829 
1 1 1  -12    3   37 o  453.038   6.0310  1391.69   37.026  1382.28   52.166  1401.24   52.560  451.495   8.5262  454.581   8.5322 -3.085693 12.06209 
1 1 1  -12    3   38 o  1065.52   12.047  7717.51  173.945  7772.52  247.144  7663.52  244.864  1069.28   17.056  1061.76   17.018 7.515991 24.09416 
1 1 1  -12    3   39 o  774.017   9.0643  4067.35   95.075  4074.71  134.580  4060.02  134.332  774.716   12.819  773.318   12.819 1.398010 18.12853 
1 1 1  -12    3   40 o  513.610   6.5756  1789.22   45.765  1770.87   64.365  1807.99   65.084  510.946   9.2959  516.274   9.3027 -5.327209 13.15124 
1 1 1  -12    3   41 o  435.726   5.9114  1287.56   34.904  1301.01   49.555  1274.33   49.169  437.983   8.3493  433.468   8.3705 4.515259 11.82271 
1 1 1  -12    3   42 o  1126.21   12.710  8629.80  193.936  8474.48  270.733  8793.51  277.942  1115.82   17.905  1136.59   18.045 -20.76819 25.42068 
1 1 1  -12    3   43 o  363.333   7.5351  895.759   37.089  905.804   53.219  886.274   51.717  365.308   10.751  361.359   10.561 3.948608 15.07025 
1 1 1  -12    3   44 o  708.976   8.4500  3410.72   81.147  3519.88  116.921  3309.28  112.712  719.905   11.985  698.046   11.915 21.85876 16.90005 
1 1 1  -12    3   45 f  478.850   6.2982  1555.85   40.870  1557.12   57.803  1554.59   57.794  479.046   8.9041  478.655   8.9101 0.3904419 12.59649 
1 1 1  -12    3   46 o  351.719   5.2983  838.911   25.250  856.919   36.012  821.495   35.413  355.432   7.4766  348.007   7.5093 7.425659 10.59666 
1 1 1  -12    3   47 o  311.512   5.0299  658.177   21.233  665.266   30.162  651.214   29.894  313.175   7.1071  309.849   7.1196 3.325653 10.05980 
1 1 1  -12    3   48 o  855.442   9.9242  4980.53  115.038  4926.98  161.552  5035.62  163.848  850.785   14.012  860.100   14.058 -9.315552 19.84843 
1 1 1  -12    3   49 o  307.065   7.2131  640.707   30.008  648.392   42.138  632.800   42.743  308.945   10.065  305.186   10.335 3.758698 14.42623 
1 1 1  -12    3   50 o  776.811   11.206  4079.51  110.456  4224.99  195.421  4011.21  133.896  785.975   18.348  767.646   12.871 18.32904 22.41224 
1 1 1  -12    3   51 o  456.240   6.1348  1413.55   37.929  1425.99   53.837  1401.29   53.443  458.234   8.6699  454.247   8.6820 3.987061 12.26965 
1 1 1  -12    3   52 o  412.390   5.7737  1154.82   32.266  1158.43   45.695  1151.24   45.568  413.032   8.1639  411.749   8.1666 1.283356 11.54743 
1 1 1  -12    3   53 o  263.837   4.7994  472.200   17.155  487.108   24.546  457.965   23.985  267.908   6.7611  259.767   6.8135 8.141144 9.598775 
1 1 1  -12    3   54 o  264.690   4.8232  475.539   17.300  477.467   24.534  473.631   24.399  265.223   6.8260  264.156   6.8160 1.066925 9.646381 
1 1 1  -12    3   55 o  249.945   4.7733  424.013   16.166  432.132   23.004  416.091   22.723  252.310   6.7280  247.579   6.7729 4.730225 9.546646 
1 1 1  -12    3   56 o  494.759   6.4958  1664.43   43.549  1644.25   61.181  1685.15   62.003  491.720   9.1816  497.797   9.1913 -6.076538 12.99156 
1 1 1  -12    3   57 o  434.317   5.9852  1282.31   35.226  1280.48   49.733  1284.16   49.903  434.007   8.4560  434.628   8.4728 -0.6204224 11.97045 
1 1 1  -12    3   58 o  145.340   4.7657  143.429   9.3800  136.451   13.170  150.613   13.363  141.747   6.8563  148.933   6.6209 -7.185806 9.531302 
1 1 1  -12    3   59 o  206.373   5.6004  284.150   14.808  305.820   25.935  273.667   18.038  212.003   9.0273  200.743   6.6307 11.25974 11.20079 
1 1 1  -12    3   60 o   95.773   6.4788   62.204   8.1223   61.551   10.214   63.327   13.395   95.147   7.9219   96.398   10.254 -1.251076 12.95761 
1 1 1  -12    3   61 o  144.272   5.7000  139.443   10.685  134.395   13.226  148.923   18.127  140.640   6.9399  147.903   9.0443 -7.262436 11.40002 
1 1 1  -12    3   62 o  736.278   8.8207  3708.06   88.009  3692.50  124.092  3723.80  124.838  734.731   12.463  737.826   12.486 -3.094910 17.64149 
1 1 1  -12    3   63 o  266.147   4.9585  481.402   17.882  475.037   25.109  487.954   25.473  264.363   7.0090  267.932   7.0158 -3.569366 9.917034 
1 1 1  -12    3   64 o  295.816   6.3740  593.167   23.768  588.008   28.695  604.440   42.419  294.071   7.2006  297.561   10.520 -3.489685 12.74798 
1 1 1  -12    3   65 o  214.145   6.0432  314.900   16.339  319.559   19.872  305.179   28.705  216.817   6.7635  211.473   10.017 5.343918 12.08631 
1 1 1  -12    3   66 o  221.752   5.9569  336.643   16.844  329.898   29.119  340.034   20.649  219.872   9.7729  223.632   6.8137 -3.759598 11.91373 
1 1 1  -12    3   67 o  154.287   5.0560  161.849   10.568  165.596   15.172  158.318   14.728  156.019   7.1762  152.556   7.1241 3.462967 10.11192 
1 1 1  -12    3   68 o  172.288   5.8437  197.676   13.097  186.827   16.179  218.298   22.306  165.701   7.2054  178.876   9.2021 -13.17482 11.68739 
1 1 1  -12    3   69 o  345.118   7.6858  815.287   35.923  779.289   50.616  851.820   50.991  337.377   11.071  352.860   10.664 -15.48315 15.37154 
1 1 1  -12    3   70 o  194.975   6.0286  252.692   14.899  277.733   26.768  241.450   17.935  201.595   9.7982  188.356   7.0264 13.23865 12.05715 
1 1 1  -12    3   71 o  233.775   4.9461  371.678   15.662  385.522   22.538  358.749   21.780  237.982   6.9886  229.568   7.0011 8.414139 9.892261 
1 1 1  -12    3   72 o  112.283   5.7140   85.964   8.6909   89.410   12.399   82.636   12.185  114.502   7.9907  110.063   8.1698 4.438858 11.42794 
1 1 1  -12    3   73 o  213.102   5.9298  308.656   16.289  314.668   27.813  305.517   20.096  214.428   9.5715  211.776   7.0025 2.651459 11.85952 
1 1 1  -12    3   74 o  227.893   6.0348  358.936   17.736  341.593   29.713  368.537   22.107  223.250   9.8213  232.537   7.0154 -9.287033 12.06957 
1 1 1  -12    3   75 o  279.359   5.1099  532.415   19.344  533.758   27.325  531.066   27.389  279.716   7.2086  279.001   7.2443 0.7155762 10.21976 
1 1 1  -12    3   76 o  118.778   6.6318   98.125   10.205  101.582   12.822   92.150   16.856  121.908   7.7612  115.648   10.756 6.259995 13.26367 
1 1 1  -12    3   77 o  242.415   5.0114  401.377   16.462  396.995   23.147  405.861   23.417  241.077   7.0852  243.753   7.0891 -2.675949 10.02277 
1 1 1  -12    3   78 o   83.329   8.2418   47.365   8.7454   45.808   10.607   50.672   15.456   81.548   9.5981   85.109   13.401 -3.561737 16.48367 
1 1 1  -12    3   79 o   81.149   8.5129   41.294   8.6421   31.448   10.323   64.363   15.801   66.250   11.937   96.048   12.140 -29.79815 17.02589 
1 1 1  -12    3   80 o  283.065   5.1694  549.313   19.826  536.107   27.835  562.913   28.247  279.596   7.3464  286.534   7.2748 -6.937927 10.33885 
1 1 1  -12    3   81 o  105.401   7.1792   75.183   9.6534   83.316   17.129   71.397   11.686  109.064   11.590  101.737   8.4761 7.326874 14.35850 
1 1 1  -12    3   82 o  209.070   4.9161  300.129   13.924  289.743   19.554  310.812   19.831  205.371   7.0262  212.768   6.8779 -7.396637 9.832240 
1 1 1  -12    3   83 o  119.967   5.3537   99.223   8.6961  105.087   12.442   93.621   12.159  123.469   7.4360  116.465   7.7043 7.003548 10.70744 
1 1 1  -12    3   84 o   93.165   5.9942   60.335   7.5290   68.291   10.784   52.770   10.516   99.282   8.0156   87.047   8.9148 12.23507 11.98845 
1 1 1  -12    3   85 o   99.165   5.8011   68.576   7.7350   79.067   11.032   58.431   10.848  106.821   7.6211   91.508   8.7481 15.31293 11.60219 
1 1 1  -12    3   86 o   94.686   7.0692   58.404   8.6399   81.098   15.365   47.911   10.448  106.828   10.614   82.545   9.3404 24.28308 14.13849 
1 1 1  -12    3   87 o  101.990   7.0249   73.015   9.2544   76.518   15.784   71.181   11.424  103.161   11.291  100.819   8.3617 2.342491 14.04971 
1 1 1  -12    3   88 o   51.764   9.8508   22.005   7.2612   13.420   12.335   26.558   8.9825   43.817   15.984   59.711   11.518 -15.89430 19.70161 
1 1 1  -12    3   89 o   86.487   8.9764   55.740   10.113   68.364   14.732   44.489   13.908   96.992   11.209   75.983   14.024 21.00867 17.95279 
1 1 1  -12    3   90 o   88.157   11.906   57.307   14.224   57.307   14.224   0.0000   0.0000   88.157   11.906  ?   ?       ?      ? 
1 1 1  -12    3   91 o   61.920   15.309   31.017   12.773   31.017   12.773   0.0000   0.0000   61.920   15.309  ?   ?       ?      ? 
1 1 1  -12    3   92 o  149.823   10.112  163.070   20.531  163.070   20.531   0.0000   0.0000  149.823   10.112  ?   ?       ?      ? 
1 1 1  -12    4    1 o  638.392   7.6219  2764.62   65.924  2822.03   94.392  2709.94   92.111  644.858   10.802  631.926   10.756 12.93250 15.24379 
1 1 1  -12    4    2 o  269.160   6.2540  491.139   22.811  491.139   22.811   0.0000   0.0000  269.160   6.2540  ?   ?       ?      ? 
1 1 1  -12    4    3 o  334.962   4.8977  760.149   22.222  732.081   30.971  789.934   31.904  328.593   6.9553  341.331   6.8974 -12.73859 9.795471 
1 1 1  -12    4    4 o   92.431   4.3935   58.968   5.1179   60.897   6.2436   55.016   8.9352   94.787   4.8607   90.075   7.3201 4.712067 8.786949 
1 1 1  -12    4    5 o  311.970   5.7579  671.793   23.302  703.944   29.411  617.578   38.191  322.221   6.7355  301.719   9.3407 20.50198 11.51588 
1 1 1  -12    4    6 o  518.869   7.4486  1842.48   45.962  1859.60   53.572  1794.72   89.467  523.672   7.5492  514.065   12.843 9.606873 14.89729 
1 1 1  -12    4    7 o  293.379   8.9027  583.840   35.394   0.0000   0.0000  583.840   35.394  ?   ?   293.379   8.9027      ?      ? 
1 1 1  -12    4    8 o   96.014   5.0717   64.000   6.4400   75.756   8.8132   50.531   9.4334  105.710   6.1523   86.319   8.0645 19.39106 10.14330 
1 1 1  -12    4    9 f  324.309   5.4952  715.879   21.335  718.905   24.925  707.586   41.262  325.659   5.6480  322.958   9.4281 2.701019 10.99037 
1 1 1  -12    4   10 o  285.671   4.5556  553.212   17.634  541.712   24.820  564.933   25.058  282.672   6.4794  288.669   6.4056 -5.996857 9.111236 
1 1 1  -12    4   11 o  637.012   7.6201  2753.01   65.770  2799.11   93.988  2708.77   92.068  642.234   10.799  631.789   10.754 10.44519 15.24021 
1 1 1  -12    4   12 o  379.187   5.2771  974.937   27.116  970.943   38.312  978.948   38.385  378.408   7.4712  379.966   7.4547 -1.557343 10.55424 
1 1 1  -12    4   13 o  682.363   8.0740  3160.18   74.659  3167.15  105.754  3153.26  105.415  683.112   11.424  681.614   11.412 1.498474 16.14791 
1 1 1  -12    4   14 o  664.343   9.7394  3022.94   83.006  3078.49  102.592  2917.67  141.242  673.516   11.240  655.169   15.908 18.34796 19.47884 
1 1 1  -12    4   15 o  524.940   8.0102  1884.37   54.163  1917.39   67.219  1823.24   91.456  531.679   9.3295  518.201   13.024 13.47809 16.02047 
1 1 1  -12    4   16 o  360.532   6.2281  883.591   28.919  888.210   35.765  874.868   49.147  361.948   7.2918  359.117   10.099 2.831268 12.45626 
1 1 1  -12    4   17 o  762.841   10.859  3960.26  106.178  3974.78  130.610  3931.97  182.327  765.235   12.595  760.447   17.693 4.788452 21.71808 
1 1 1  -12    4   18 o  726.539   10.409  3582.25   96.775  3576.82  118.688  3593.02  167.160  725.995   12.064  727.083   16.965 -1.087830 20.81750 
1 1 1  -12    4   19 o  696.750   10.118  3290.79   89.808  3312.05  156.655  3280.38  109.608  698.178   16.557  695.322   11.633 2.855408 20.23526 
1 1 1  -12    4   20 o  494.216   9.0225  1655.76   60.392  1598.94   83.753  1717.30   87.165  485.395   12.733  503.036   12.787 -17.64114 18.04502 
1 1 1  -12    4   21 o  251.109   5.6366  433.117   17.932  443.857   21.931  411.448   31.150  255.896   6.3242  246.322   9.3321 9.573807 11.27312 
1 1 1  -12    4   22 o  768.970   8.9650  4012.20   93.419  4041.80  132.712  3983.12  131.524  771.781   12.689  766.160   12.668 5.620911 17.93010 
1 1 1  -12    4   23 o  879.888   10.096  5254.92  120.383  5296.06  171.051  5214.53  169.455  883.300   14.290  876.477   14.267 6.822876 20.19288 
1 1 1  -12    4   24 o  533.126   6.6843  1927.24   48.290  1937.89   68.523  1916.73   68.065  534.589   9.4587  531.663   9.4473 2.925903 13.36853 
1 1 1  -12    4   25 o  522.721   8.0919  1834.71   53.588  1905.90   95.217  1801.71   64.830  529.968   13.258  515.474   9.2808 14.49335 16.18370 
1 1 1  -12    4   26 o  571.515   7.0710  2211.17   54.713  2308.42   79.466  2123.52   75.443  583.439   10.051  559.591   9.9486 23.84833 14.14199 
1 1 1  -12    4   27 o  576.964   8.6566  2240.89   63.594  2309.21  111.694  2208.12   77.357  583.299   14.130  570.628   10.004 12.67120 17.31318 
1 1 1  -12    4   28 o  711.187   10.264  3416.76   93.030  3481.07  162.644  3385.49  113.415  715.928   16.764  706.446   11.847 9.481628 20.52791 
1 1 1  -12    4   29 o  702.229   8.3168  3344.81   79.140  3379.15  112.661  3311.35  111.195  705.786   11.779  698.672   11.744 7.113525 16.63370 
1 1 1  -12    4   30 o  560.793   6.9626  2132.61   52.912  2140.81   75.026  2124.50   74.632  561.865   9.8536  559.721   9.8395 2.143860 13.92513 
1 1 1  -12    4   31 o  978.899   13.673  6538.29  171.346  6588.76  210.727  6439.82  294.361  985.030   15.787  972.768   22.330 12.26263 27.34674 
1 1 1  -12    4   32 o  269.749   5.9159  503.415   20.217  523.309   24.826  464.251   34.834  277.854   6.5935  261.643   9.8244 16.21094 11.83189 
1 1 1  -12    4   33 f  406.917   5.6415  1122.31   31.105  1102.19   43.588  1143.20   44.401  403.200   7.9775  410.633   7.9792 -7.433289 11.28309 
1 1 1  -12    4   34 o  388.048   5.4887  1020.36   28.855  1050.97   41.335  991.272   40.299  393.721   7.7472  382.375   7.7772 11.34610 10.97743 
1 1 1  -12    4   35 o  969.472   11.036  6384.32  144.986  6425.55  205.893  6343.76  204.201  972.575   15.622  966.370   15.593 6.205139 22.07238 
1 1 1  -12    4   36 o  1042.53   11.800  7386.94  166.706  7354.62  235.100  7419.61  236.422  1040.24   16.678  1044.82   16.698 -4.581787 23.60008 
1 1 1  -12    4   37 o  941.719   10.778  6024.96  137.541  6073.05  195.425  5977.76  193.613  945.440   15.253  937.997   15.232 7.442749 21.55620 
1 1 1  -12    4   38 o  585.004   7.2310  2321.87   57.324  2320.07   81.001  2323.67   81.137  584.778   10.222  585.231   10.231 -0.4525757 14.46196 
1 1 1  -12    4   39 o  526.972   6.7000  1883.71   47.844  1902.52   68.008  1865.29   67.321  529.576   9.4765  524.369   9.4740 5.206238 13.40002 
1 1 1  -12    4   40 o  401.718   5.6365  1094.11   30.680  1116.19   43.795  1072.83   42.991  405.696   7.9661  397.739   7.9762 7.956451 11.27292 
1 1 1  -12    4   41 o  205.945   5.3540  284.059   14.306  275.707   17.702  299.788   24.291  201.658   6.4778  210.233   8.5264 -8.575378 10.70804 
1 1 1  -12    4   42 o  573.116   10.073  2232.63   78.228  2233.23  111.330  2232.05  109.945  573.181   14.333  573.052   14.158 0.1287842 20.14647 
1 1 1  -12    4   43 o  563.075   7.0560  2150.97   53.829  2199.44   77.074  2104.81   75.211  569.264   9.9910  556.885   9.9662 12.37842 14.11194 
1 1 1  -12    4   44 f  238.903   4.6525  387.028   15.062  386.749   21.305  387.307   21.297  238.817   6.5833  238.989   6.5759 -0.1725159 9.304960 
1 1 1  -12    4   45 o  254.916   4.7226  440.420   16.307  422.721   22.776  459.034   23.358  249.663   6.7320  260.169   6.6252 -10.50604 9.445251 
1 1 1  -12    4   46 o  360.684   5.3581  882.438   26.187  897.122   37.289  868.149   36.784  363.645   7.5670  357.724   7.5880 5.921356 10.71617 
1 1 1  -12    4   47 o  282.908   4.8744  542.875   18.687  537.920   26.283  547.940   26.573  281.603   6.8874  284.213   6.8996 -2.610046 9.748866 
1 1 1  -12    4   48 o  314.293   7.2618  671.369   30.916  691.638   43.635  650.938   43.808  319.072   10.092  309.513   10.445 9.559296 14.52350 
1 1 1  -12    4   49 o  396.844   6.9193  1067.13   35.111  1078.48   60.857  1061.47   42.986  398.245   11.277  395.442   8.0217 2.803467 13.83859 
1 1 1  -12    4   50 o  260.182   4.7867  459.309   16.877  455.810   23.795  462.851   23.940  259.185   6.7748  261.180   6.7640 -1.994812 9.573399 
1 1 1  -12    4   51 o  369.670   5.4610  927.346   27.351  904.434   38.221  951.393   39.156  364.992   7.7274  374.348   7.7186 -9.356323 10.92201 
1 1 1  -12    4   52 f  355.061   5.3368  855.799   25.677  868.311   36.577  843.644   36.053  357.619   7.5476  352.503   7.5473 5.116180 10.67369 
1 1 1  -12    4   53 o  538.873   6.8660  1974.21   50.133  2004.89   71.533  1944.60   70.281  542.983   9.7216  534.763   9.6982 8.220886 13.73191 
1 1 1  -12    4   54 o  605.798   7.4985  2497.66   61.554  2529.28   87.649  2466.88   86.465  609.580   10.610  602.016   10.599 7.563660 14.99704 
1 1 1  -12    4   55 o  267.352   4.8548  485.292   17.589  486.675   24.893  483.914   24.856  267.733   6.8612  266.971   6.8703 0.7612000 9.709641 
1 1 1  -12    4   56 o  452.754   6.1385  1393.72   37.662  1396.85   53.378  1390.62   53.148  453.258   8.6903  452.250   8.6721 1.008362 12.27708 
1 1 1  -12    4   57 o  233.997   4.7434  371.853   15.039  365.726   21.294  377.951   21.244  232.068   6.7711  235.925   6.6448 -3.856613 9.486880 
1 1 1  -12    4   58 o  281.440   6.0652  540.756   21.839  532.532   37.559  544.958   26.844  279.638   9.9113  283.241   6.9937 -3.603149 12.13037 
1 1 1  -12    4   59 o  214.046   4.7569  311.200   13.798  311.915   19.550  310.491   19.476  214.291   6.7323  213.802   6.7222 0.4890289 9.513808 
1 1 1  -12    4   60 o  463.974   7.6076  1458.80   45.137  1439.78   55.175  1497.29   78.484  459.928   8.8526  468.019   12.375 -8.090454 15.21521 
1 1 1  -12    4   61 o  546.315   7.0014  2034.32   51.833  2026.15   73.112  2042.58   73.496  545.214   9.8955  547.416   9.9075 -2.201782 14.00282 
1 1 1  -12    4   62 o  312.170   5.1652  662.184   21.844  684.078   31.289  641.368   30.510  317.204   7.2790  307.135   7.3304 10.06931 10.33048 
1 1 1  -12    4   63 o  206.806   6.1196  295.709   15.851  303.369   19.208  279.353   28.068  211.276   6.7087  202.335   10.237 8.941528 12.23926 
1 1 1  -12    4   64 o  145.430   7.1656  143.825   14.122  143.825   14.122   0.0000   0.0000  145.430   7.1656  ?   ?       ?      ? 
1 1 1  -12    4   65 o  103.982   7.2591   76.516   9.4712   66.325   16.294   81.717   11.640   98.394   12.220  109.570   7.8391 -11.17636 14.51818 
1 1 1  -12    4   66 o  127.479   6.3771  105.568   10.376  126.363   18.683   96.292   12.478  136.022   10.136  118.936   7.7418 17.08637 12.75411 
1 1 1  -12    4   67 o  265.143   5.0371  477.666   18.084  505.300   26.067  452.029   25.108  272.535   7.0582  257.750   7.1883 14.78516 10.07417 
1 1 1  -12    4   68 f  220.983   4.9111  332.129   14.704  341.732   20.982  322.862   20.612  224.126   6.9082  217.840   6.9822 6.285461 9.822175 
1 1 1  -12    4   69 o  452.394   6.2276  1396.24   38.178  1399.11   54.024  1393.39   53.961  452.859   8.8032  451.929   8.8110 0.9301453 12.45510 
1 1 1  -12    4   70 o  149.415   5.1091  152.080   10.336  144.525   14.598  159.675   14.636  145.675   7.3947  153.156   7.0519 -7.480515 10.21814 
1 1 1  -12    4   71 o   56.242   9.0658   22.671   6.7863   26.632   9.6370   18.775   9.5580   61.225   12.044   51.259   13.553 9.966068 18.13154 
1 1 1  -12    4   72 o  300.294   6.2796  608.654   24.128  639.012   42.121  593.829   29.435  305.403   10.178  295.185   7.3585 10.21811 12.55912 
1 1 1  -12    4   73 o  200.147   5.9019  271.714   15.208  279.787   26.096  267.561   18.714  202.138   9.5267  198.156   6.9693 3.982101 11.80372 
1 1 1  -12    4   74 o  126.881   5.3886  109.886   9.2649  109.346   13.030  110.439   13.176  126.569   7.5968  127.194   7.6445 -0.6251678 10.77726 
1 1 1  -12    4   75 o  192.699   4.9276  253.335   12.867  253.707   18.114  252.957   18.280  192.848   6.9314  192.549   7.0059 0.2989960 9.855279 
1 1 1  -12    4   76 o  212.409   5.9379  310.101   16.285  312.478   20.224  305.717   27.466  213.932   6.9760  210.886   9.6108 3.045944 11.87572 
1 1 1  -12    4   77 o  134.214   6.5327  118.893   11.124  110.483   13.339  138.095   20.157  127.029   7.7491  141.400   10.519 -14.37096 13.06549 
1 1 1  -12    4   78 o  185.041   6.3061  237.157   14.634  239.835   17.693  231.357   26.038  187.255   6.9723  182.827   10.510 4.427795 12.61216 
1 1 1  -12    4   79 o  188.681   4.9500  243.775   12.656  246.851   17.964  240.743   17.833  189.868   6.9820  187.494   7.0188 2.374222 9.900067 
1 1 1  -12    4   80 o  132.448   5.2788  120.466   9.4733  120.704   13.520  120.236   13.278  132.562   7.5264  132.335   7.4039 0.2278442 10.55768 
1 1 1  -12    4   81 o  156.054   6.3622  174.871   12.513  150.052   21.228  188.085   15.490  146.564   10.688  165.544   6.9047 -18.98058 12.72444 
1 1 1  -12    4   82 o   77.308   6.8685   42.086   7.0876   34.213   10.084   49.771   9.9636   69.870   10.651   84.746   8.6759 -14.87663 13.73705 
1 1 1  -12    4   83 o  282.158   5.1573  548.905   19.716  562.440   28.201  535.964   27.575  285.564   7.2874  278.753   7.2998 6.810699 10.31469 
1 1 1  -12    4   84 o  149.441   5.0646  153.768   10.237  167.678   14.904  141.346   14.084  155.861   7.0564  143.021   7.2670 12.84013 10.12930 
1 1 1  -12    4   85 o  106.100   6.9315   80.780   9.3027   74.932   16.009   83.762   11.431  102.356   11.542  109.843   7.6792 -7.486282 13.86301 
1 1 1  -12    4   86 o   69.603   8.8688   35.464   7.6980   36.492   13.332   34.949   9.4287   68.961   14.714   70.245   9.9050 -1.283852 17.73753 
1 1 1  -12    4   87 o   88.414   7.3867   52.321   8.5289   70.741   14.655   42.888   10.488   99.214   10.900   77.614   9.9715 21.59956 14.77336 
1 1 1  -12    4   88 o   65.356   8.8745   29.030   7.4264   44.009   13.000   21.774   9.0482   77.334   12.405   53.377   12.694 23.95786 17.74901 
1 1 1  -12    4   89 o   65.919   14.514   34.157   12.614   34.157   12.614   0.0000   0.0000   65.919   14.514  ?   ?       ?      ? 
1 1 1  -12    4   90 f   77.484   12.863   45.043   13.507   45.043   13.507   0.0000   0.0000   77.484   12.863  ?   ?       ?      ? 
1 1 1  -12    4   91 o   40.904   15.484   11.518   11.779   11.518   11.779   0.0000   0.0000   40.904   15.484  ?   ?       ?      ? 
1 1 1  -12    4   92 o  110.594   11.149   90.385   16.709   90.385   16.709   0.0000   0.0000  110.594   11.149  ?   ?       ?      ? 
1 1 1  -12    5    1 o  761.114   10.797  3933.73  105.198  3937.70  181.506  3931.73  129.092  761.098   17.598  761.130   12.516 -0.3204346E-01 21.59494 
1 1 1  -12    5    2 o  401.025   10.656  1090.99   57.911  1090.99   57.911   0.0000   0.0000  401.025   10.656  ?   ?       ?      ? 
1 1 1  -12    5    3 o  604.020   8.9028  2480.16   69.055  2464.09  118.160  2488.49   85.101  602.365   14.475  605.674   10.368 -3.308960 17.80562 
1 1 1  -12    5    4 o  1221.93   16.714 10188.34  261.283 10148.43  450.569 10208.57  320.715  1218.89   27.278  1224.96   19.320 -6.070801 33.42706 
1 1 1  -12    5    5 o  503.265   7.7370  1738.12   50.343  1787.20   62.930  1650.86   83.904  513.352   9.0461  493.177   12.554 20.17413 15.47397 
1 1 1  -12    5    6 o  497.301   8.9295  1668.98   59.990  1510.98   81.574  1855.08   88.531  471.806   12.759  522.795   12.496 -50.98911 17.85891 
1 1 1  -12    5    7 o  509.526   9.0668  1762.37   62.588  1710.99   88.285  1814.28   88.741  502.048   12.977  517.003   12.666 -14.95432 18.13360 
1 1 1  -12    5    8 o  1177.65   16.190  9586.70  246.852  9940.94  309.938  8972.17  408.226  1208.90   18.919  1146.41   26.277 62.48779 32.37936 
1 1 1  -12    5    9 o  603.169   8.9043  2489.54   69.223  2536.70   86.001  2402.79  116.655  611.512   10.378  594.826   14.472 16.68579 17.80857 
1 1 1  -12    5   10 o  412.672   6.6751  1123.92   34.961  1070.48   42.097  1242.72   62.765  397.348   7.8180  427.996   10.822 -30.64786 13.35026 
1 1 1  -12    5   11 o  753.124   10.715  3859.96  103.477  3875.94  127.352  3828.90  177.517  755.719   12.435  750.530   17.454 5.189392 21.43066 
1 1 1  -12    5   12 o  256.347   4.4408  445.111   15.419  426.523   21.511  464.754   22.113  250.845   6.3281  261.848   6.2319 -11.00243 8.881574 
1 1 1  -12    5   13 f  442.808   7.2444  1343.34   40.990  1371.29   50.486  1289.29   70.216  449.715   8.2841  435.901   11.887 13.81384 14.48876 
1 1 1  -12    5   14 o  672.349   7.9907  3066.80   72.805  3070.87  103.034  3062.75  102.890  672.794   11.301  671.904   11.300 0.8896484 15.98134 
1 1 1  -12    5   15 o  678.842   8.0504  3125.09   74.043  3062.91  103.491  3190.30  105.980  671.928   11.366  685.757   11.404 -13.82904 16.10089 
1 1 1  -12    5   16 o  380.936   5.3258  982.632   27.477  941.525   38.156  1026.91   39.600  372.670   7.5553  389.203   7.5082 -16.53311 10.65160 
1 1 1  -12    5   17 o  329.805   4.9353  737.299   22.057  729.950   31.096  744.742   31.291  328.151   6.9928  331.459   6.9664 -3.308716 9.870658 
1 1 1  -12    5   18 o  791.891   9.1852  4252.71   98.535  4361.22  141.594  4150.81  137.209  801.676   13.034  782.106   12.946 19.57062 18.37039 
1 1 1  -12    5   19 o  663.635   7.9135  2987.36   71.167  2983.12  100.592  2991.61  100.698  663.164   11.193  664.107   11.189 -0.9430542 15.82692 
1 1 1  -12    5   20 o  382.280   5.3728  989.983   27.823  957.598   38.784  1024.32   39.937  375.843   7.6149  388.718   7.5816 -12.87451 10.74551 
1 1 1  -12    5   21 o  805.121   9.3272  4391.82  101.681  4226.78  140.387  4573.93  147.471  789.241   13.126  821.001   13.255 -31.75940 18.65448 
1 1 1  -12    5   22 o  383.824   5.3954  998.642   28.063  990.593   39.536  1006.82   39.840  382.265   7.6321  385.382   7.6285 -3.117493 10.79087 
1 1 1  -12    5   23 o  715.362   10.318  3473.35   94.485  3474.42  163.014  3472.80  115.947  715.236   16.819  715.489   11.958 -0.2537231 20.63671 
1 1 1  -12    5   24 o  252.004   6.3796  430.444   21.786   0.0000   0.0000  430.444   21.786  ?   ?   252.004   6.3796      ?      ? 
1 1 1  -12    5   25 o  611.591   14.993  2539.18  124.263   0.0000   0.0000  2539.18  124.263  ?   ?   611.591   14.993      ?      ? 
1 1 1  -12    5   26 o  597.371   8.9875  2411.58   68.262  2393.58   83.064  2449.03  119.806  594.090   10.318  600.652   14.719 -6.561523 17.97491 
1 1 1  -12    5   27 o  1352.12   15.035 12431.88  275.433 12234.45  385.307 12638.19  393.876  1341.16   21.200  1363.08   21.323 -21.91895 30.06900 
1 1 1  -12    5   28 o  574.898   7.1051  2241.27   55.352  2259.94   78.631  2222.93   77.933  577.271   10.052  572.525   10.045 4.746338 14.21024 
1 1 1  -12    5   29 o  287.789   4.7740  561.304   18.616  549.696   26.142  573.245   26.517  284.771   6.7743  290.807   6.7287 -6.036621 9.548095 
1 1 1  -12    5   30 o  349.799   6.4299  822.925   28.440  811.145   34.376  848.481   50.633  345.911   7.3334  353.687   10.564 -7.776337 12.85988 
1 1 1  -12    5   31 o  593.612   8.9763  2393.75   67.932  2398.55   83.073  2384.08  118.023  594.667   10.309  592.556   14.698 2.111023 17.95256 
1 1 1  -12    5   32 o  670.487   8.0264  3049.98   72.927  3062.23  103.341  3037.84  102.929  671.828   11.351  669.147   11.351 2.680481 16.05272 
1 1 1  -12    5   33 o  541.207   6.8074  1986.57   49.926  1995.99   70.743  1977.22   70.469  542.486   9.6230  539.929   9.6312 2.557495 13.61478 
1 1 1  -12    5   34 o  303.333   4.9157  623.772   20.206  622.398   28.547  625.152   28.606  302.998   6.9525  303.668   6.9514 -0.6696777 9.831478 
1 1 1  -12    5   35 o  866.412   9.9929  5094.80  117.284  5232.66  168.695  4965.82  163.172  877.742   14.182  855.083   14.082 22.65857 19.98590 
1 1 1  -12    5   36 o  406.033   5.6725  1116.73   31.194  1073.28   43.313  1163.55   44.963  397.836   8.0341  414.229   8.0100 -16.39267 11.34491 
1 1 1  -12    5   37 o  541.943   6.8319  1992.38   50.172  2009.55   71.316  1975.55   70.598  544.255   9.6695  539.631   9.6542 4.623413 13.66389 
1 1 1  -12    5   38 o  432.882   5.8782  1270.56   34.478  1294.20   49.219  1247.79   48.312  436.834   8.3144  428.930   8.3117 7.903778 11.75640 
1 1 1  -12    5   39 o   89.573   5.4898   54.418   6.6617   56.097   9.4368   52.751   9.4054   90.951   7.6566   88.195   7.8695 2.755814 10.97968 
1 1 1  -12    5   40 o  568.171   8.6527  2211.74   63.368  2257.02   78.767  2128.67  106.686  576.698   10.079  559.643   14.067 17.05505 17.30537 
1 1 1  -12    5   41 o  713.227   11.996  3463.36  115.943  3441.95  164.152  3484.68  163.786  711.013   17.037  715.441   16.894 -4.428223 23.99253 
1 1 1  -12    5   42 o  216.130   4.6160  316.543   13.515  327.045   19.389  306.618   18.848  219.615   6.5150  212.645   6.5409 6.969803 9.231946 
1 1 1  -12    5   43 o  567.233   7.0911  2184.28   54.507  2167.27   76.777  2201.56   77.394  565.007   10.028  569.459   10.029 -4.452148 14.18224 
1 1 1  -12    5   44 o  495.341   6.4510  1664.83   43.295  1701.14   61.933  1630.12   60.546  500.622   9.1291  490.060   9.1170 10.56146 12.90199 
1 1 1  -12    5   45 o  435.271   5.9428  1285.73   35.053  1298.24   49.811  1273.46   49.336  437.368   8.4042  433.174   8.4047 4.194092 11.88564 
1 1 1  -12    5   46 o  199.476   4.6129  269.802   12.462  283.035   17.797  257.071   17.456  204.276   6.4289  194.676   6.6169 9.600815 9.225772 
1 1 1  -12    5   47 o  266.649   6.9274  482.422   24.925  546.138   36.003  423.773   34.542  283.567   9.3691  249.732   10.207 33.83475 13.85485 
1 1 1  -12    5   48 o  319.449   6.2235  692.728   25.487  693.932   43.851  692.114   31.321  319.540   10.127  319.357   7.2373 0.1830750 12.44700 
1 1 1  -12    5   49 o  598.760   7.4091  2437.65   60.117  2429.68   84.869  2445.67   85.168  597.778   10.477  599.741   10.479 -1.963562 14.81811 
1 1 1  -12    5   50 o  195.709   4.5836  259.881   12.156  256.064   17.127  263.756   17.256  194.260   6.5058  197.158   6.4586 -2.898056 9.167286 
1 1 1  -12    5   51 o  609.574   7.5236  2527.98   62.147  2503.64   87.425  2552.84   88.361  606.610   10.635  612.539   10.645 -5.928833 15.04725 
1 1 1  -12    5   52 o  185.979   4.6579  234.758   11.739  234.022   16.620  235.491   16.584  185.687   6.6048  186.270   6.5698 -0.5834808 9.315893 
1 1 1  -12    5   53 o  703.474   8.4520  3372.70   80.569  3409.89  114.672  3336.43  113.225  707.301   11.964  699.648   11.942 7.652466 16.90408 
1 1 1  -12    5   54 f  372.180   5.5131  940.995   27.805  951.692   39.525  930.515   39.122  374.274   7.7928  370.086   7.8007 4.188599 11.02630 
1 1 1  -12    5   55 o  255.948   4.8439  444.844   16.801  441.571   23.728  448.134   23.791  255.003   6.8665  256.893   6.8342 -1.890732 9.687842 
1 1 1  -12    5   56 o  257.649   4.8589  450.650   16.955  429.970   23.732  472.211   24.233  251.606   6.9604  263.692   6.7814 -12.08583 9.717758 
1 1 1  -12    5   57 o  212.102   5.7874  307.588   15.675  300.764   27.012  311.053   19.247  210.191   9.4832  214.012   6.6365 -3.821686 11.57475 
1 1 1  -12    5   58 o  292.710   5.0281  581.971   19.941  596.088   28.483  568.400   27.927  296.192   7.0963  289.228   7.1252 6.964020 10.05614 
1 1 1  -12    5   59 o  307.555   6.2391  656.076   24.815  688.357   31.223  600.726   40.885  318.248   7.2399  296.861   10.163 21.38660 12.47819 
1 1 1  -12    5   60 o  424.736   8.3782  1232.23   48.204  1256.04   69.358  1209.98   67.042  428.674   11.940  420.797   11.757 7.877014 16.75637 
1 1 1  -12    5   61 o  322.914   6.3962  700.501   26.251  738.315   46.494  682.805   31.805  328.943   10.430  316.885   7.4065 12.05780 12.79239 
1 1 1  -12    5   62 o  463.215   7.7843  1459.81   45.736  1448.81   55.547  1482.96   80.589  461.176   8.8882  465.254   12.782 -4.078033 15.56868 
1 1 1  -12    5   63 o  282.668   6.2937  545.545   22.521  547.566   27.376  541.315   39.610  283.765   7.1191  281.571   10.381 2.194092 12.58748 
1 1 1  -12    5   64 o  190.375   4.8228  246.429   12.441  250.982   17.617  241.900   17.571  192.135   6.7660  188.616   6.8743 3.518845 9.645499 
1 1 1  -12    5   65 o  263.600   6.1519  475.217   20.740  468.589   35.697  478.594   25.482  261.948   10.056  265.252   7.0892 -3.303680 12.30380 
1 1 1  -12    5   66 o  246.843   6.2736  427.689   19.687  378.243   33.246  454.394   24.432  235.232   10.429  258.453   6.9758 -23.22133 12.54719 
1 1 1  -12    5   67 o   91.463   6.2646   57.367   7.7037   49.245   10.911   65.441   10.879   84.929   9.4801   97.998   8.1919 -13.06922 12.52914 
1 1 1  -12    5   68 o  238.538   4.8847  387.027   15.787  395.053   22.596  379.374   22.065  240.951   6.9203  236.125   6.8958 4.826355 9.769475 
1 1 1  -12    5   69 o  110.553   5.5720   83.263   8.3391   88.572   11.923   78.179   11.667  114.015   7.7169  107.092   8.0397 6.923325 11.14394 
1 1 1  -12    5   70 o  123.063   5.3430  103.209   8.9094  101.388   12.600  105.029   12.599  121.972   7.6232  124.155   7.4886 -2.183426 10.68609 
1 1 1  -12    5   71 f  109.172   6.7923   81.369   9.5203   82.148   16.349   80.970   11.711  109.396   11.028  108.949   7.9318 0.4478607 13.58455 
1 1 1  -12    5   72 f  162.655   6.0713  181.177   12.659  179.628   21.712  181.975   15.580  161.899   9.8964  163.410   7.0358 -1.510971 12.14259 
1 1 1  -12    5   73 o  184.097   4.9692  231.111   12.395  227.637   17.561  234.562   17.499  182.707   7.0926  185.487   6.9617 -2.780029 9.938387 
1 1 1  -12    5   74 o  182.929   4.9507  228.316   12.271  223.383   17.330  233.277   17.377  180.935   7.0677  184.923   6.9343 -3.987823 9.901376 
1 1 1  -12    5   75 o  173.014   6.0739  210.827   13.550  226.266   17.130  185.013   22.150  182.055   6.9432  163.974   9.9681 18.08076 12.14790 
1 1 1  -12    5   76 o  205.536   6.9457  288.635   19.346  288.635   19.346   0.0000   0.0000  205.536   6.9457  ?   ?       ?      ? 
1 1 1  -12    5   77 o   38.471   10.229   7.8706   7.5131   12.310   9.0178  -2.2034   13.585   42.363   13.741   34.578   15.155 7.785107 20.45729 
1 1 1  -12    5   78 o  113.610   5.6014   88.575   8.6165   93.799   12.347   83.616   12.030  116.897   7.7944  110.323   8.0467 6.574409 11.20277 
1 1 1  -12    5   79 o   98.231   5.9154   66.472   7.8678   66.595   11.363   66.358   10.905   98.286   8.5314   98.175   8.1965 0.1105576 11.83076 
1 1 1  -12    5   80 o   64.708   9.6857   33.566   7.8750   21.381   13.810   39.438   9.5864   54.006   16.948   75.410   9.3808 -21.40438 19.37138 
1 1 1  -12    5   81 o   34.040   9.0552   4.4479   6.6894 -11.3891   11.703   12.134   8.1526   26.735   12.578   41.346   13.029 -14.61039 18.11031 
1 1 1  -12    5   82 o   75.817   6.9047   40.205   7.0894   39.304   10.131   41.069   9.9242   74.933   9.9768   76.701   9.5480 -1.767509 13.80945 
1 1 1  -12    5   83 o  114.958   5.4891   91.530   8.5494   91.898   12.224   91.178   11.962  115.162   7.8329  114.755   7.6919 0.4067535 10.97811 
1 1 1  -12    5   84 o  112.081   6.9160   91.536   9.7407   79.256   16.613   97.969   12.024  105.267   11.646  118.896   7.4630 -13.62927 13.83202 
1 1 1  -12    5   85 o   76.852   8.3667   43.026   7.9572   43.066   13.778   43.006   9.7472   75.523   13.977   78.181   9.2001 -2.658775 16.73331 
1 1 1  -12    5   86 o   62.330   9.5223   31.235   7.5952   22.807   12.986   35.617   9.3639   53.827   16.357   70.834   9.7552 -17.00655 19.04468 
1 1 1  -12    5   87 o   44.947   9.9393   15.899   6.8747   9.6597   11.974   18.967   8.3963   39.995   15.492   49.900   12.456 -9.904968 19.87852 
1 1 1  -12    5   88 o   76.787   10.058   45.541   10.060   43.163   13.694   48.328   14.826   74.686   14.046   78.888   14.399 -4.201637 20.11520 
1 1 1  -12    5   89 o   91.398   11.707   61.560   14.500   61.560   14.500   0.0000   0.0000   91.398   11.707  ?   ?       ?      ? 
1 1 1  -12    5   90 o   48.539   15.705   18.916   11.785   18.916   11.785   0.0000   0.0000   48.539   15.705  ?   ?       ?      ? 
1 1 1  -12    5   91 o   83.745   12.452   52.822   14.131   52.822   14.131   0.0000   0.0000   83.745   12.452  ?   ?       ?      ? 
1 1 1  -12    5   92 o   64.240   15.110   33.780   12.934   33.780   12.934   0.0000   0.0000   64.240   15.110  ?   ?       ?      ? 
1 1 1  -12    6    1 o  363.161   5.1516  893.870   25.350  911.305   36.107  876.920   35.600  366.654   7.2669  359.669   7.3041 6.984619 10.30330 
1 1 1  -12    6    2 f  921.160   10.487  5760.06  130.903  5808.59  186.104  5712.53  184.161  924.998   14.847  917.322   14.815 7.676331 20.97389 
1 1 1  -12    6    3 o  654.777   7.8076  2908.04   69.278  2900.29   97.804  2915.85   98.144  653.902   11.037  655.653   11.046 -1.750366 15.61523 
1 1 1  -12    6    4 o  684.932   8.1139  3182.35   75.311  3190.05  106.731  3174.71  106.282  685.757   11.485  684.107   11.464 1.649780 16.22788 
1 1 1  -12    6    5 f  467.245   12.313  1481.23   77.965  1481.23   77.965   0.0000   0.0000  467.245   12.313  ?   ?       ?      ? 
1 1 1  -12    6    6 o  217.602   7.8779  321.010   23.230   0.0000   0.0000  321.010   23.230  ?   ?   217.602   7.8779      ?      ? 
1 1 1  -12    6    7 o  466.527   6.8801  1472.08   38.095  1467.95   44.216  1483.97   75.041  465.356   7.0115  467.699   11.840 -2.343842 13.76025 
1 1 1  -12    6    8 o  679.918   9.2262  3102.51   73.505  3068.98   84.594  3205.85  148.505  672.754   9.2789  687.083   15.950 -14.32880 18.45233 
1 1 1  -12    6    9 o  639.441   8.8293  2820.76   67.497  2875.22   79.110  2675.03  129.409  651.188   8.9649  627.693   15.214 23.49445 17.65857 
1 1 1  -12    6   10 o  891.298   11.759  5459.53  124.606  5530.81  145.368  5262.08  241.945  902.922   11.881  879.675   20.296 23.24725 23.51755 
1 1 1  -12    6   11 o  353.665   5.9704  847.756   28.614  847.756   28.614   0.0000   0.0000  353.665   5.9704  ?   ?       ?      ? 
1 1 1  -12    6   12 o  507.690   7.4884  1747.27   51.520  1747.27   51.520   0.0000   0.0000  507.690   7.4884  ?   ?       ?      ? 
1 1 1  -12    6   13 o  963.380   12.610  6340.27  143.596  6377.03  166.695  6234.54  282.738  969.468   12.688  957.291   21.795 12.17706 25.21938 
1 1 1  -12    6   14 o  1446.02   16.027 14225.98  314.005 14457.65  448.877 14003.97  439.416  1457.53   22.726  1434.52   22.604 23.01685 32.05346 
1 1 1  -12    6   15 o  370.525   5.2568  930.272   26.389  906.747   36.906  954.882   37.748  365.733   7.4465  375.316   7.4218 -9.582489 10.51351 
1 1 1  -12    6   16 o  212.069   4.2624  303.977   12.216  273.846   16.839  337.448   17.748  201.005   6.1821  223.133   5.8697 -22.12810 8.524785 
1 1 1  -12    6   17 o  669.745   9.7276  3042.33   83.375  3049.58  143.995  3038.68  102.260  670.170   15.856  669.320   11.274 0.8499756 19.45527 
1 1 1  -12    6   18 f  225.874   5.2150  350.114   15.206  331.493   25.410  360.502   18.979  221.121   8.4798  230.627   6.0728 -9.506088 10.43001 
1 1 1  -12    6   19 o  196.770   4.9857  258.495   12.697  275.604   21.727  249.624   15.646  201.628   7.9520  191.911   6.0162 9.716873 9.971395 
1 1 1  -12    6   20 o  600.838   8.9094  2432.97   68.271  2497.48  119.415  2401.65   83.211  606.584   14.527  595.093   10.318 11.49066 17.81889 
1 1 1  -12    6   21 o  501.921   6.4097  1707.84   43.593  1730.11   62.179  1686.31   61.133  505.138   9.0835  498.704   9.0458 6.434082 12.81937 
1 1 1  -12    6   22 o  556.043   8.5016  2086.95   59.992  2127.54  105.774  2067.69   72.842  559.892   13.941  552.194   9.7343 7.697571 17.00312 
1 1 1  -12    6   23 o  519.929   8.1108  1831.99   53.627  1838.72   93.819  1828.72   65.357  520.537   13.300  519.321   9.2869 1.215515 16.22163 
1 1 1  -12    6   24 o  762.292   8.9152  3942.28   92.089  3985.57  131.129  3900.16  129.355  766.419   12.626  758.165   12.590 8.254272 17.83031 
1 1 1  -12    6   25 o  1203.66   13.503  9832.68  220.065 10244.34  319.402  9460.66  303.634  1227.58   19.200  1179.74   18.993 47.84680 27.00669 
1 1 1  -12    6   26 o  469.465   6.1630  1493.34   39.195  1540.62   56.290  1448.84   54.608  476.673   8.7141  462.256   8.7175 14.41684 12.32603 
1 1 1  -12    6   27 o  1004.71   11.388  6855.65  155.037  6783.52  217.757  6929.79  220.786  999.354   16.079  1010.06   16.130 -10.70917 22.77570 
1 1 1  -12    6   28 o  531.773   6.7236  1914.01   48.404  1828.31   66.701  2009.34   70.351  519.225   9.4797  544.321   9.5375 -25.09637 13.44721 
1 1 1  -12    6   29 o  542.192   8.4179  1997.92   58.189  2004.12   71.179  1985.43  101.037  543.596   9.6625  540.788   13.787 2.808594 16.83584 
1 1 1  -12    6   30 o  796.901   11.434  4336.33  116.764  4248.79  199.930  4381.64  143.844  790.396   18.666  803.406   13.212 -13.01038 22.86877 
1 1 1  -12    6   31 o  284.281   6.0416  547.895   21.769  547.646   26.458  548.416   38.303  284.222   6.8694  284.340   9.9405 -0.1170959 12.08316 
1 1 1  -12    6   32 o  297.980   4.9080  601.551   19.810  627.159   28.403  577.296   27.643  304.152   6.8911  291.808   6.9904 12.34390 9.815932 
1 1 1  -12    6   33 o  151.773   4.5391  156.140   9.3344  157.131   13.336  155.189   13.070  152.245   6.4638  151.302   6.3746 0.9429321 9.078292 
1 1 1  -12    6   34 o  794.958   9.2834  4290.30   99.991  4218.68  139.840  4365.23  143.031  788.176   13.093  801.739   13.165 -13.56274 18.56688 
1 1 1  -12    6   35 o  179.902   4.5205  219.490   11.017  213.234   15.618  225.686   15.542  177.348   6.4984  182.456   6.2859 -5.108307 9.041100 
1 1 1  -12    6   36 o  575.804   7.1466  2249.30   55.759  2216.16   78.222  2283.54   79.505  571.493   10.100  580.115   10.113 -8.621826 14.29320 
1 1 1  -12    6   37 o  352.713   7.4602  843.641   35.658  843.641   35.658   0.0000   0.0000  352.713   7.4602  ?   ?       ?      ? 
1 1 1  -12    6   38 o  417.644   6.9453  1153.87   36.862  1101.66   44.461  1268.68   65.930  403.011   8.1410  432.276   11.255 -29.26501 13.89056 
1 1 1  -12    6   39 o  730.716   12.251  3632.32  121.244  3492.02  168.284  3783.77  174.834  716.057   17.343  745.376   17.309 -29.31982 24.50217 
1 1 1  -12    6   40 o  264.789   5.9545  475.872   19.967  475.159   35.167  476.212   24.255  264.581   9.8084  264.997   6.7543 -0.4163818 11.90898 
1 1 1  -12    6   41 o  438.465   5.9666  1304.28   35.450  1283.11   49.801  1326.03   50.472  434.858   8.4510  442.072   8.4252 -7.214294 11.93329 
1 1 1  -12    6   42 o  393.914   5.6292  1051.21   30.025  1000.55   41.583  1106.39   43.400  384.013   7.9907  403.816   7.9310 -19.80325 11.25841 
1 1 1  -12    6   43 o  696.658   8.3348  3298.64   78.680  3259.04  110.465  3339.41  112.094  692.418   11.773  700.898   11.802 -8.480530 16.66958 
1 1 1  -12    6   44 o  422.419   5.8438  1211.11   33.452  1213.70   47.406  1208.54   47.210  422.867   8.2726  421.970   8.2560 0.8973389 11.68752 
1 1 1  -12    6   45 o  296.039   6.2691  602.664   23.607  617.849   28.983  572.736   40.690  301.764   7.0875  290.314   10.343 11.44965 12.53820 
1 1 1  -12    6   46 o  320.985   7.3190  700.045   31.810  694.089   44.028  706.550   46.011  319.575   10.167  322.395   10.531 -2.820404 14.63799 
1 1 1  -12    6   47 f  442.134   6.0224  1327.38   36.080  1341.05   51.447  1314.15   50.613  444.371   8.5434  439.897   8.4904 4.473999 12.04473 
1 1 1  -12    6   48 o  460.651   6.1673  1441.48   38.499  1446.25   54.580  1436.76   54.312  461.408   8.7290  459.894   8.7148 1.514343 12.33462 
1 1 1  -12    6   49 o  253.061   4.7609  434.571   16.324  422.991   22.954  446.418   23.218  249.648   6.7849  256.474   6.6804 -6.826630 9.521737 
1 1 1  -12    6   50 o  165.333   4.6825  185.573   10.472  171.249   14.690  200.375   14.933  158.836   6.8246  171.831   6.4130 -12.99512 9.364960 
1 1 1  -12    6   51 o  375.843   5.5380  958.739   28.194  923.386   39.267  996.355   40.505  368.694   7.8592  382.992   7.8044 -14.29739 11.07592 
1 1 1  -12    6   52 o  293.615   5.0094  585.379   19.929  571.682   28.077  599.285   28.291  290.149   7.1409  297.081   7.0273 -6.932587 10.01874 
1 1 1  -12    6   53 o  439.936   6.0376  1315.76   35.994  1319.63   51.071  1311.95   50.736  440.576   8.5541  439.297   8.5227 1.278168 12.07511 
1 1 1  -12    6   54 f  502.995   6.5903  1721.51   44.921  1718.90   63.504  1724.13   63.551  502.612   9.3237  503.378   9.3163 -0.7664185 13.18051 
1 1 1  -12    6   55 o  488.895   9.1616  1633.39   60.675  1636.26   87.034  1630.68   84.630  489.257   13.127  488.533   12.784 0.7246704 18.32316 
1 1 1  -12    6   56 f  226.702   6.9094  349.128   21.226   0.0000   0.0000  349.128   21.226  ?   ?   226.702   6.9094      ?      ? 
1 1 1  -12    6   57 o  324.453   5.2335  714.704   22.998  744.574   33.157  687.011   31.925  330.980   7.3924  317.926   7.4101 13.05368 10.46698 
1 1 1  -12    6   58 o  165.854   5.6291  185.243   12.220  180.182   15.308  194.137   20.291  162.837   6.9372  168.871   8.8670 -6.034134 11.25823 
1 1 1  -12    6   59 o  302.501   6.0926  610.456   23.687  585.214   28.924  661.866   41.278  293.398   7.2747  311.604   9.7753 -18.20605 12.18515 
1 1 1  -12    6   60 o  374.772   5.5800  955.518   28.337  940.654   39.892  970.657   40.260  371.825   7.9170  377.719   7.8654 -5.893524 11.15990 
1 1 1  -12    6   61 o  196.320   6.0096  264.170   14.907  267.291   18.128  257.652   26.197  198.304   6.7459  194.337   9.9476 3.967392 12.01923 
1 1 1  -12    6   62 o  230.910   4.8412  362.487   15.147  355.823   21.343  369.251   21.501  228.767   6.8845  233.053   6.8081 -4.285614 9.682338 
1 1 1  -12    6   63 o  168.735   4.8639  193.801   11.098  178.418   15.638  209.409   15.752  161.960   7.1251  175.509   6.6230 -13.54907 9.727867 
1 1 1  -12    6   64 o  141.354   6.1835  135.113   11.123  139.376   19.552  133.074   13.525  142.847   10.101  139.861   7.1360 2.985886 12.36710 
1 1 1  -12    6   65 o  125.892   6.5521   97.776   10.442  138.918   19.508   81.255   12.362  142.589   10.096  109.195   8.3542 33.39384 13.10420 
1 1 1  -12    6   66 f  203.923   4.8578  282.653   13.418  292.537   19.318  273.438   18.652  207.364   6.8745  200.482   6.8655 6.882492 9.715651 
1 1 1  -12    6   67 o  250.725   4.9564  427.252   16.828  448.035   24.296  408.087   23.331  256.582   6.9875  244.869   7.0311 11.71246 9.912724 
1 1 1  -12    6   68 o  160.808   4.9969  176.101   10.883  169.255   15.375  182.975   15.408  157.661   7.1962  163.955   6.9348 -6.294205 9.993814 
1 1 1  -12    6   69 o  149.173   5.1090  151.499   10.312  163.276   14.775  140.312   14.400  154.843   7.0411  143.503   7.4048 11.33961 10.21804 
1 1 1  -12    6   70 o  251.159   6.0588  429.531   19.460  434.858   33.717  426.871   23.830  251.995   9.8737  250.324   7.0248 1.671387 12.11766 
1 1 1  -12    6   71 o   57.936   9.0110   23.887   6.8777   27.179   10.139   21.080   9.3609   61.688   12.555   54.183   12.929 7.505756 18.02202 
1 1 1  -12    6   72 o  161.115   5.0101  177.065   10.936  175.115   15.574  178.961   15.361  160.227   7.1728  162.003   6.9968 -1.775803 10.02020 
1 1 1  -12    6   73 o  226.475   7.0074  349.986   21.506  349.986   21.506   0.0000   0.0000  226.475   7.0074  ?   ?       ?      ? 
1 1 1  -12    6   74 o  191.901   4.9507  251.465   12.874  252.712   18.236  250.226   18.178  192.377   6.9952  191.425   7.0075 0.9512939 9.901423 
1 1 1  -12    6   75 o  179.478   7.0463  220.171   17.138  220.171   17.138   0.0000   0.0000  179.478   7.0463  ?   ?       ?      ? 
1 1 1  -12    6   76 o  219.464   4.9902  329.480   14.840  325.111   20.835  333.979   21.142  217.989   7.0532  220.940   7.0614 -2.950439 9.980494 
1 1 1  -12    6   77 o  104.088   5.8572   74.872   8.2012   64.720   11.617   84.958   11.579   96.912   8.8460  111.264   7.6797 -14.35218 11.71449 
1 1 1  -12    6   78 o   74.254   6.9110   38.215   6.9520   38.545   9.9734   37.903   9.6956   74.549   9.8723   73.959   9.6739 0.5892639 13.82196 
1 1 1  -12    6   79 o  143.932   5.0827  142.467   9.9031  136.765   14.120  147.988   13.893  141.039   7.3875  146.825   6.9827 -5.785934 10.16535 
1 1 1  -12    6   80 o   90.835   7.6414   58.188   8.7565   56.922   15.385   58.795   10.650   89.519   12.682   92.151   8.5282 -2.631477 15.28284 
1 1 1  -12    6   81 o  247.863   5.0345  423.375   16.902  406.859   23.824  440.111   23.983  242.927   7.2370  252.799   7.0008 -9.872040 10.06904 
1 1 1  -12    6   82 o  144.445   5.0909  144.134   9.9607  139.520   14.101  148.730   14.072  142.089   7.3235  146.800   7.0736 -4.710846 10.18181 
1 1 1  -12    6   83 o  144.826   6.2235  147.355   11.487  144.404   19.815  148.848   14.098  142.945   10.229  146.708   7.0912 -3.762711 12.44693 
1 1 1  -12    6   84 o   61.560   9.3014   33.012   7.7070   12.649   12.978   44.106   9.5791   43.859   16.326   79.261   8.9183 -35.40211 18.60278 
1 1 1  -12    6   85 o   49.473   9.7317   15.311   7.0327   31.807   12.110   6.9176   8.6386   64.267   14.277   34.680   13.229 29.58635 19.46335 
1 1 1  -12    6   86 o   88.966   7.5733   58.139   8.5570   53.283   14.514   60.726   10.594   85.052   12.592   92.880   8.4171 -7.828239 15.14659 
1 1 1  -12    6   87 o   78.084   10.079   47.565   10.260   53.446   13.913   40.552   15.192   85.211   12.049   70.957   16.161 14.25393 20.15766 
1 1 1  -12    6   88 o  113.988   10.922   94.735   16.871   94.735   16.871   0.0000   0.0000  113.988   10.922  ?   ?       ?      ? 
1 1 1  -12    6   89 o   91.746   11.856   62.473   14.740   62.473   14.740   0.0000   0.0000   91.746   11.856  ?   ?       ?      ? 
1 1 1  -12    6   90 o   59.269   15.574   28.917   12.672   28.917   12.672   0.0000   0.0000   59.269   15.574  ?   ?       ?      ? 
1 1 1  -12    6   91 f   28.074   12.705  -3.0025   10.370  -3.0025   10.370   0.0000   0.0000   28.074   12.705  ?   ?       ?      ? 
1 1 1  -12    6   92 o   36.764   14.804   7.7397   11.327   7.7397   11.327   0.0000   0.0000   36.764   14.804  ?   ?       ?      ? 
1 1 1  -12    7    1 o  511.967   7.8503  1788.12   51.767  1811.60   64.163  1744.33   87.617  516.895   9.1601  507.039   12.752 9.855927 15.70064 
1 1 1  -12    7    2 o  431.131   8.1304  1261.41   47.470  1241.37   68.043  1280.41   66.259  427.783   11.738  434.478   11.254 -6.694702 16.26081 
1 1 1  -12    7    3 o  143.894   5.9125  141.553   11.229  134.980   17.828  145.875   14.457  141.091   9.3243  146.696   7.2723 -5.604919 11.82494 
1 1 1  -12    7    4 o  569.972   8.5183  2207.68   62.405  2215.95   76.985  2191.84  106.567  571.641   9.9381  568.302   13.838 3.338623 17.03655 
1 1 1  -12    7    5 o  620.049   9.0949  2601.33   72.206  2586.55   88.511  2630.74  124.848  617.562   10.576  622.536   14.799 -4.973999 18.18986 
1 1 1  -12    7    6 o  198.785   4.8886  265.559   12.700  259.436   15.886  276.402   21.141  195.647   5.9919  201.923   7.7260 -6.275742 9.777173 
1 1 1  -12    7    7 o  633.538   9.2937  2744.27   75.950  2793.09   94.415  2654.75  127.853  641.729   10.857  625.347   15.087 16.38171 18.58744 
1 1 1  -12    7    8 o  576.917   8.6080  2250.52   63.677  2235.13   78.149  2280.94  109.842  574.105   10.045  579.729   13.982 -5.624146 17.21605 
1 1 1  -12    7    9 o  165.147   5.9138  184.852   13.235  184.852   13.235   0.0000   0.0000  165.147   5.9138  ?   ?       ?      ? 
1 1 1  -12    7   10 o  552.750   13.550  2073.38  101.495   0.0000   0.0000  2073.38  101.495  ?   ?   552.750   13.550      ?      ? 
1 1 1  -12    7   11 o  510.099   7.4667  1811.16   45.950  1870.73   54.341  1661.70   86.075  525.318   7.6334  494.879   12.835 30.43927 14.93341 
1 1 1  -12    7   12 o  309.813   5.4201  649.198   20.220  647.459   23.661  653.905   38.935  309.080   5.6492  310.545   9.2519 -1.464478 10.84028 
1 1 1  -12    7   13 o  243.854   5.1839  396.504   16.371  381.647   20.176  425.137   28.009  237.292   6.2743  250.416   8.2537 -13.12483 10.36772 
1 1 1  -12    7   14 o  306.715   5.4588  647.137   20.228  658.920   23.845  616.896   38.201  311.804   5.6432  301.626   9.3461 10.17783 10.91765 
1 1 1  -12    7   15 o  397.838   6.6270  1064.54   33.907  1046.22   41.642  1100.58   58.408  392.845   7.8221  402.831   10.700 -9.985596 13.25395 
1 1 1  -12    7   16 o  513.573   7.4523  1799.93   45.628  1812.34   53.220  1765.49   88.646  517.054   7.5955  510.092   12.824 6.961823 14.90464 
1 1 1  -12    7   17 o  482.520   6.2259  1577.85   40.700  1613.16   58.368  1544.44   56.780  487.770   8.8303  477.269   8.7792 10.50076 12.45185 
1 1 1  -12    7   18 o  497.548   6.3672  1678.52   42.930  1682.15   60.905  1674.94   60.522  498.082   9.0234  497.014   8.9859 1.068054 12.73449 
1 1 1  -12    7   19 o  461.609   6.0470  1444.63   37.825  1427.47   53.273  1462.08   53.715  458.844   8.5677  464.375   8.5359 -5.530243 12.09404 
1 1 1  -12    7   20 o  239.187   5.5751  378.139   16.650  412.715   30.735  363.776   19.809  246.708   9.1932  231.666   6.3097 15.04143 11.15018 
1 1 1  -12    7   21 o  777.812   11.145  4090.75  110.145  4160.16  193.613  4057.54  133.928  782.362   18.262  773.261   12.781 9.100403 22.29008 
1 1 1  -12    7   22 o  455.178   8.5244  1404.81   52.581  1404.81   52.581   0.0000   0.0000  455.178   8.5244  ?   ?       ?      ? 
1 1 1  -12    7   23 o  417.307   5.7006  1180.00   32.228  1212.18   46.254  1149.64   44.929  422.833   8.0723  411.781   8.0515 11.05191 11.40126 
1 1 1  -12    7   24 o  315.210   4.9449  673.433   21.120  683.471   30.095  663.691   29.647  317.524   6.9942  312.895   6.9920 4.628357 9.889737 
1 1 1  -12    7   25 o  773.933   9.0434  4065.01   94.840  4025.44  133.305  4105.56  134.959  770.122   12.773  777.745   12.805 -7.623230 18.08672 
1 1 1  -12    7   26 o  537.099   6.7781  1955.17   49.316  1901.64   68.642  2012.28   70.898  529.508   9.5661  544.691   9.6051 -15.18353 13.55611 
1 1 1  -12    7   27 o  621.798   9.3300  2633.61   74.058  2651.22   90.791  2598.60  128.023  625.122   10.718  618.474   15.275 6.647705 18.66000 
1 1 1  -12    7   28 f  531.389   6.7398  1908.98   48.451  1799.65   66.263  2034.60   71.027  515.095   9.4929  547.683   9.5699 -32.58813 13.47957 
1 1 1  -12    7   29 f  322.562   5.0666  705.276   22.144  716.016   31.610  694.925   31.032  324.973   7.1777  320.152   7.1528 4.821350 10.13324 
1 1 1  -12    7   30 o  1112.43   12.550  8418.59  189.184  8470.92  268.462  8366.96  266.642  1115.86   17.754  1108.99   17.743 6.865356 25.09972 
1 1 1  -12    7   31 o  230.741   4.6007  360.676   14.380  374.468   20.646  347.683   20.039  235.022   6.4827  226.460   6.5299 8.562256 9.201353 
1 1 1  -12    7   32 o  495.781   6.4190  1667.10   43.123  1643.74   60.551  1691.15   61.427  492.257   9.0771  499.306   9.0784 -7.048401 12.83793 
1 1 1  -12    7   33 o  236.197   4.6184  378.255   14.778  365.769   20.825  390.919   20.974  232.269   6.6162  240.125   6.4455 -7.856171 9.236801 
1 1 1  -12    7   34 o  226.427   4.6252  347.120   14.181  364.677   20.481  330.949   19.656  231.920   6.5166  220.934   6.5652 10.98618 9.250306 
1 1 1  -12    7   35 o  666.754   11.352  3021.28  102.509  2896.75  142.374  3155.33  147.711  652.495   16.102  681.013   16.006 -28.51807 22.70347 
1 1 1  -12    7   36 o  218.624   9.5740  324.360   28.364  324.360   28.364   0.0000   0.0000  218.624   9.5740  ?   ?       ?      ? 
1 1 1  -12    7   37 o  351.244   6.5848  835.470   29.351  832.178   35.682  842.358   51.612  350.274   7.5172  352.215   10.813 -1.941650 13.16958 
1 1 1  -12    7   38 o  195.289   9.5707  258.874   25.328  258.874   25.328   0.0000   0.0000  195.289   9.5707  ?   ?       ?      ? 
1 1 1  -12    7   39 o  293.383   4.9391  583.477   19.629  561.109   27.429  606.953   28.101  287.621   7.0374  299.145   6.9320 -11.52362 9.878142 
1 1 1  -12    7   40 o  495.427   6.4568  1664.93   43.332  1715.96   62.338  1617.21   60.274  502.765   9.1497  488.088   9.1128 14.67725 12.91355 
1 1 1  -12    7   41 o  189.163   4.6374  242.673   11.842  215.179   16.499  271.890   17.008  178.105   6.8360  200.222   6.2683 -22.11717 9.274837 
1 1 1  -12    7   42 o  404.298   5.7004  1109.30   31.230  1120.14   44.473  1098.76   43.863  406.245   8.0785  402.352   8.0448 3.893646 11.40089 
1 1 1  -12    7   43 o  294.518   6.0260  590.068   22.750  585.422   39.056  592.454   27.988  293.540   9.8184  295.496   6.9893 -1.955811 12.05203 
1 1 1  -12    7   44 o  426.236   8.3681  1236.41   48.327  1253.18   68.041  1219.35   68.652  429.172   11.699  423.299   11.968 5.873138 16.73630 
1 1 1  -12    7   45 o  463.316   6.2138  1457.83   39.009  1474.96   55.731  1441.38   54.619  465.979   8.8257  460.653   8.7495 5.326202 12.42767 
1 1 1  -12    7   46 f  244.996   4.7524  406.867   15.768  426.482   22.715  388.624   21.906  250.691   6.6864  239.302   6.7552 11.38879 9.504767 
1 1 1  -12    7   47 o  398.036   5.6870  1075.28   30.664  1108.44   44.062  1044.13   42.701  403.983   8.0486  392.089   8.0366 11.89322 11.37395 
1 1 1  -12    7   48 o  179.280   4.7107  217.601   11.429  232.435   16.633  204.330   15.732  185.055   6.6326  173.505   6.6911 11.55092 9.421341 
1 1 1  -12    7   49 o  438.921   6.0223  1309.21   35.819  1314.80   50.905  1303.73   50.410  439.845   8.5404  437.997   8.4931 1.848541 12.04455 
1 1 1  -12    7   50 o  428.850   5.9813  1248.95   34.746  1210.19   48.309  1290.49   50.011  421.964   8.4483  435.735   8.4695 -13.77100 11.96268 
1 1 1  -12    7   51 o  390.905   7.9146  1041.11   41.909  1000.06   58.812  1083.47   59.735  383.050   11.330  398.761   11.054 -15.71054 15.82922 
1 1 1  -12    7   52 o  585.356   8.9709  2315.23   66.627  2409.80  118.019  2270.98   80.721  593.268   14.680  577.444   10.316 15.82336 17.94172 
1 1 1  -12    7   53 o  252.386   4.8589  432.620   16.612  416.485   23.365  449.113   23.622  247.619   6.9632  257.152   6.7787 -9.533249 9.717811 
1 1 1  -12    7   54 o  390.784   6.9796  1036.21   34.729  1051.74   60.747  1028.68   42.328  392.605   11.418  388.964   8.0305 3.641815 13.95912 
1 1 1  -12    7   55 o  404.321   5.7847  1111.63   31.691  1126.12   45.262  1097.70   44.387  406.899   8.2085  401.742   8.1531 5.156738 11.56946 
1 1 1  -12    7   56 o  260.386   4.8876  460.736   17.245  455.770   24.428  465.670   24.349  258.982   6.9603  261.790   6.8634 -2.808105 9.775107 
1 1 1  -12    7   57 f  234.005   5.7973  380.189   17.613  401.949   22.322  344.294   28.669  243.213   6.7727  224.796   9.4110 18.41685 11.59467 
1 1 1  -12    7   58 o   88.255   6.0628   53.053   7.2447   52.418   10.430   53.645   10.071   87.735   8.7724   88.775   8.3711 -1.040703 12.12563 
1 1 1  -12    7   59 o  315.508   6.4384  670.836   25.681  657.905   31.007  699.084   45.827  311.029   7.3566  319.986   10.568 -8.957397 12.87671 
1 1 1  -12    7   60 o  155.233   6.2877  164.427   12.254  164.808   14.785  163.593   21.901  155.686   7.0081  154.780   10.442 0.9057312 12.57535 
1 1 1  -12    7   61 o  291.706   5.0940  578.603   20.130  558.404   28.213  599.553   28.732  286.511   7.2664  296.900   7.1412 -10.38907 10.18810 
1 1 1  -12    7   62 o  226.934   4.8735  350.290   14.984  347.216   21.368  353.264   21.017  225.944   6.9789  227.924   6.8044 -1.980576 9.747032 
1 1 1  -12    7   63 o  163.413   6.3905  184.641   13.051  175.542   23.236  188.834   15.775  160.215   10.702  166.611   6.9868 -6.396347 12.78102 
1 1 1  -12    7   64 o  217.396   6.1091  325.733   16.751  312.549   29.403  332.068   20.381  213.846   10.146  220.947   6.8071 -7.101303 12.21829 
1 1 1  -12    7   65 o  128.896   5.3037  113.213   9.2573  109.478   13.184  116.846   13.001  126.783   7.6737  131.010   7.3232 -4.227478 10.60733 
1 1 1  -12    7   66 o  154.945   5.0794  162.811   10.607  188.309   15.498  140.342   14.548  166.344   6.8751  143.546   7.4789 22.79816 10.15879 
1 1 1  -12    7   67 o  226.977   4.9258  350.735   15.147  340.451   21.336  361.184   21.507  223.611   7.0412  230.342   6.8902 -6.731857 9.851583 
1 1 1  -12    7   68 o  109.686   5.7576   82.640   8.4971   73.169   12.219   91.510   11.824  103.504   8.7115  115.868   7.5307 -12.36402 11.51525 
1 1 1  -12    7   69 o  178.142   6.0568  218.794   13.705  211.030   23.764  222.663   16.775  175.486   9.9928  180.798   6.8470 -5.311447 12.11353 
1 1 1  -12    7   70 o  317.576   5.2958  687.736   22.785  703.548   32.702  672.819   31.763  321.114   7.5151  314.038   7.4637 7.076111 10.59168 
1 1 1  -12    7   71 o  101.572   5.9013   70.638   8.1125   68.722   11.669   72.432   11.286  100.208   8.5928  102.936   8.0911 -2.727516 11.80258 
1 1 1  -12    7   72 o  213.840   4.9279  312.008   14.278  319.426   20.366  304.838   20.023  216.344   6.9468  211.336   6.9914 5.007843 9.855831 
1 1 1  -12    7   73 o  222.777   6.9908  338.998   21.105  338.998   21.105   0.0000   0.0000  222.777   6.9908  ?   ?       ?      ? 
1 1 1  -12    7   74 o   59.728   12.246   25.684   9.5794   25.684   9.5794   0.0000   0.0000   59.728   12.246  ?   ?       ?      ? 
1 1 1  -12    7   75 o  123.190   5.5059  104.020   9.1551  116.923   13.182   91.997   12.725  130.629   7.4467  115.751   8.1121 14.87818 11.01178 
1 1 1  -12    7   76 o  147.028   5.0835  148.054   10.124  152.296   14.591  144.116   14.058  149.049   7.2239  145.007   7.1541 4.041718 10.16691 
1 1 1  -12    7   77 o  125.231   5.3321  107.428   8.9940  124.797   13.109   91.979   12.363  134.848   7.1734  115.613   7.8910 19.23518 10.66424 
1 1 1  -12    7   78 o   73.792   6.9268   37.723   6.9082   41.763   10.110   34.185   9.4617   77.516   9.6243   70.068   9.9647 7.447617 13.85361 
1 1 1  -12    7   79 o  120.787   6.6691  100.701   10.078  103.888   18.241   99.300   12.091  121.537   11.075  120.037   7.4330 1.500793 13.33811 
1 1 1  -12    7   80 o   45.441   9.8168   15.738   7.1104   5.2977   12.239   21.056   8.7359   37.497   15.283   53.384   12.325 -15.88703 19.63367 
1 1 1  -12    7   81 o   89.867   6.1825   56.214   7.5066   62.459   10.847   50.475   10.399   94.732   8.4495   85.002   9.0278 9.730171 12.36508 
1 1 1  -12    7   82 o  119.107   6.6489   99.982   10.151   98.741   17.339  100.629   12.522  117.830   10.859  120.383   7.6759 -2.553207 13.29777 
1 1 1  -12    7   83 o  124.118   6.6425  111.560   10.514   99.017   17.570  118.558   13.124  117.614   11.024  130.622   7.4142 -13.00767 13.28509 
1 1 1  -12    7   84 o  149.353   6.3115  160.796   12.062  145.454   20.145  169.369   15.059  142.611   10.424  156.095   7.1193 -13.48361 12.62295 
1 1 1  -12    7   85 o  123.482   6.5025  107.553   10.359  110.286   17.618  106.109   12.806  123.830   10.499  123.135   7.6743 0.6953430 13.00493 
1 1 1  -12    7   86 o   92.701   9.1696   62.760   11.375   51.374   14.994   78.199   17.460   82.733   13.374  102.670   12.549 -19.93703 18.33926 
1 1 1  -12    7   87 o   59.558   11.787   28.800   9.7450   26.144   12.585   32.778   15.401   56.674   15.795   62.443   17.499 -5.768974 23.57340 
1 1 1  -12    7   88 f  123.406   10.537  111.023   17.621  111.023   17.621   0.0000   0.0000  123.406   10.537  ?   ?       ?      ? 
1 1 1  -12    7   89 o   51.122   16.042   21.555   12.373   21.555   12.373   0.0000   0.0000   51.122   16.042  ?   ?       ?      ? 
1 1 1  -12    7   90 o   32.001   13.804   1.9951   10.902   1.9951   10.902   0.0000   0.0000   32.001   13.804  ?   ?       ?      ? 
1 1 1  -12    7   91 o   45.378   16.002   16.549   12.246   16.549   12.246   0.0000   0.0000   45.378   16.002  ?   ?       ?      ? 
1 1 1  -12    8    2 o  376.746   7.5885  962.239   38.743   0.0000   0.0000  962.239   38.743  ?   ?   376.746   7.5885      ?      ? 
1 1 1  -12    8    3 o  714.963   8.4336  3466.79   81.696  3542.13  116.902  3394.88  114.215  722.551   11.939  707.375   11.915 15.17645 16.86730 
1 1 1  -12    8    4 o  151.138   4.2903  154.449   8.7707  141.825   12.105  168.399   12.725  144.652   6.1755  157.624   5.9574 -12.97264 8.580616 
1 1 1  -12    8    5 o  507.841   6.4639  1748.68   44.482  1771.38   63.200  1726.39   62.619  511.108   9.1248  504.575   9.1579 6.533295 12.92788 
1 1 1  -12    8    6 o  172.909   5.9727  218.944   12.316  242.044   14.797  166.848   22.222  188.975   5.7781  156.843   10.455 32.13142 11.94548 
1 1 1  -12    8    7 o  507.112   8.0262  1740.72   51.483  1733.95   62.402  1755.13   91.102  505.681   9.1062  508.544   13.220 -2.863342 16.05244 
1 1 1  -12    8    8 f  157.762   4.5284  164.916   8.9430  159.158   10.668  178.529   16.403  153.245   5.1370  162.280   7.4590 -9.035873 9.056815 
1 1 1  -12    8    9 o  681.174   9.3168  3157.74   75.150  3167.08   87.250  3130.88  147.913  683.399   9.4213  678.948   16.076 4.451050 18.63354 
1 1 1  -12    8   10 o  346.849   5.8988  846.118   24.810  888.160   29.575  746.245   45.583  361.989   6.0290  331.708   10.141 30.28122 11.79760 
1 1 1  -12    8   11 o  267.979   5.4647  487.037   19.058  487.512   23.841  486.197   31.721  268.181   6.5602  267.777   8.7416 0.4039612 10.92940 
1 1 1  -12    8   12 o  464.737   6.9579  1484.85   38.758  1508.60   45.450  1421.54   74.202  471.745   7.1096  457.729   11.963 14.01590 13.91584 
1 1 1  -12    8   13 o  369.021   5.9747  912.959   26.303  901.731   30.545  945.173   51.737  364.739   6.1799  373.303   10.227 -8.563538 11.94934 
1 1 1  -12    8   14 o  710.495   9.6095  3337.98   79.161  3258.97   90.374  3598.44  164.087  693.216   9.6203  727.774   16.638 -34.55780 19.21894 
1 1 1  -12    8   15 o  509.669   7.8664  1758.60   51.536  1750.84   63.454  1773.64   88.338  508.118   9.2153  511.220   12.751 -3.101563 15.73279 
1 1 1  -12    8   16 o  115.601   4.8895   91.084   7.2464   92.138   8.9329   89.057   12.392  116.593   5.6537  114.609   7.9790 1.984390 9.779041 
1 1 1  -12    8   17 o  416.245   6.4968  1190.65   32.504  1209.53   38.177  1140.89   61.970  422.409   6.6693  410.080   11.151 12.32962 12.99363 
1 1 1  -12    8   18 o  758.891   17.640  3914.95  181.408   0.0000   0.0000  3914.95  181.408  ?   ?   758.891   17.640      ?      ? 
1 1 1  -12    8   19 o  363.398   6.4612  899.544   30.790  911.637   39.051  879.671   50.059  366.683   7.8588  360.113   10.258 6.570160 12.92238 
1 1 1  -12    8   20 o  508.892   6.4978  1754.69   44.789  1693.78   62.262  1820.02   64.478  499.747   9.1937  518.037   9.1848 -18.28979 12.99559 
1 1 1  -12    8   21 o  352.887   5.2294  844.267   25.005  826.446   35.246  862.325   35.479  349.136   7.4495  356.637   7.3412 -7.501465 10.45888 
1 1 1  -12    8   22 o  534.019   6.7437  1934.00   48.797  1956.65   69.594  1912.10   68.440  537.092   9.5619  530.946   9.5122 6.146179 13.48741 
1 1 1  -12    8   23 o  359.779   5.2787  876.894   25.725  905.051   37.037  850.648   35.758  365.354   7.4807  354.204   7.4497 11.14999 10.55737 
1 1 1  -12    8   24 o  728.466   8.5974  3601.98   84.868  3570.79  119.453  3633.76  120.599  725.283   12.154  731.648   12.164 -6.365356 17.19483 
1 1 1  -12    8   25 o  652.558   9.6891  2899.45   80.717  2913.80   98.918  2870.84  139.637  655.248   11.140  649.867   15.856 5.381470 19.37812 
1 1 1  -12    8   26 o  731.163   8.6410  3629.12   85.612  3590.24  120.302  3669.00  121.861  727.198   12.208  735.128   12.233 -7.930359 17.28199 
1 1 1  -12    8   27 o  419.008   8.1700  1190.68   46.390  1190.68   46.390   0.0000   0.0000  419.008   8.1700  ?   ?       ?      ? 
1 1 1  -12    8   28 o  271.627   4.7494  500.195   17.480  502.934   24.925  497.543   24.522  272.358   6.7531  270.896   6.6800 1.461731 9.498781 
1 1 1  -12    8   29 o  463.977   6.1360  1459.69   38.573  1490.71   55.193  1430.07   53.929  468.794   8.6879  459.160   8.6672 9.633911 12.27193 
1 1 1  -12    8   30 o  610.477   7.4784  2529.11   61.863  2564.36   88.122  2494.87   86.866  614.669   10.579  606.284   10.573 8.384644 14.95686 
1 1 1  -12    8   31 o  344.460   6.2463  798.739   27.757  785.041   34.208  825.140   47.491  340.234   7.4194  348.686   10.051 -8.452515 12.49253 
1 1 1  -12    8   32 o  769.541   11.056  4074.11  109.885  4184.32  137.172  3876.72  183.583  784.737   12.899  754.346   17.959 30.39087 22.11124 
1 1 1  -12    8   33 o  552.422   9.8522  2071.35   73.754  2071.35   73.754   0.0000   0.0000  552.422   9.8522  ?   ?       ?      ? 
1 1 1  -12    8   34 o  264.642   4.7865  474.970   17.164  473.682   24.434  476.224   24.115  264.286   6.8224  264.998   6.7153 -0.7119751 9.572906 
1 1 1  -12    8   35 o  567.428   7.1049  2184.23   54.609  2117.21   75.925  2256.06   78.602  558.420   10.033  576.436   10.062 -18.01672 14.20973 
1 1 1  -12    8   36 o  545.072   8.5123  2030.18   59.229  1987.08  102.165  2052.00   72.692  540.398   13.951  549.747   9.7576 -9.349548 17.02469 
1 1 1  -12    8   37 o  220.591   4.6898  328.590   13.988  355.979   20.585  305.092   19.067  229.094   6.6307  212.088   6.6340 17.00601 9.379535 
1 1 1  -12    8   38 o  620.166   7.6027  2613.38   63.893  2595.46   90.102  2631.49   90.618  618.028   10.758  622.305   10.745 -4.277283 15.20550 
1 1 1  -12    8   39 o  277.406   4.8744  522.113   18.321  519.662   26.102  524.494   25.722  276.761   6.9596  278.051   6.8265 -1.290588 9.748718 
1 1 1  -12    8   40 f  435.332   7.3934  1295.93   40.961  1264.96   71.031  1311.36   50.137  431.175   12.157  439.490   8.4183 -8.315552 14.78685 
1 1 1  -12    8   41 o  302.656   10.299  622.649   42.239   0.0000   0.0000  622.649   42.239  ?   ?   302.656   10.299      ?      ? 
1 1 1  -12    8   42 o  286.901   7.0922  559.810   27.559  572.271   38.656  546.930   39.301  290.168   9.8308  283.635   10.225 6.533356 14.18431 
1 1 1  -12    8   43 o  121.533   6.5622   97.691   10.161   92.871   12.277  108.174   18.106  116.955   7.7460  126.111   10.595 -9.155746 13.12437 
1 1 1  -12    8   44 o  532.776   6.8247  1929.09   49.264  1964.91   70.525  1894.97   68.844  537.597   9.6806  527.954   9.6225 9.643433 13.64943 
1 1 1  -12    8   45 o  328.252   5.2244  731.331   23.235  745.529   33.269  717.812   32.464  331.359   7.4090  325.145   7.3678 6.214020 10.44882 
1 1 1  -12    8   46 o  551.411   8.6111  2114.59   61.756  2239.51   78.499  1911.73  100.036  573.728   10.097  529.094   13.952 44.63391 17.22222 
1 1 1  -12    8   47 o  530.927   8.3825  1924.80   56.983  1910.90   98.027  1931.89   70.031  528.954   13.676  532.901   9.6976 -3.947266 16.76495 
1 1 1  -12    8   48 o  389.533   5.6476  1030.67   29.805  1047.83   42.737  1014.42   41.587  392.683   8.0312  386.383   7.9425 6.300110 11.29528 
1 1 1  -12    8   49 o  125.675   5.0883  108.002   8.6058   96.048   12.396  119.125   11.957  118.894   7.6936  132.456   6.6614 -13.56143 10.17669 
1 1 1  -12    8   50 o  186.714   6.7736  236.752   17.139  236.752   17.139   0.0000   0.0000  186.714   6.7736  ?   ?       ?      ? 
1 1 1  -12    8   51 o  211.382   4.7108  303.508   13.490  300.848   19.252  306.074   18.910  210.466   6.7501  212.299   6.5728 -1.833206 9.421541 
1 1 1  -12    8   52 f  173.392   5.8264  201.806   12.725  211.658   22.904  197.408   15.304  176.299   9.5869  170.484   6.6243 5.814957 11.65287 
1 1 1  -12    8   53 o  128.691   6.4576  118.788   10.163   98.050   18.031  128.445   12.304  119.871   11.100  137.511   6.6026 -17.64021 12.91522 
1 1 1  -12    8   54 o  160.025   4.7631  173.080   10.294  194.247   15.131  154.839   14.046  169.095   6.6033  150.955   6.8663 18.13997 9.526250 
1 1 1  -12    8   55 o  191.384   5.5845  249.395   13.932  250.040   17.476  248.271   23.079  191.827   6.7227  190.941   8.9192 0.8856964 11.16899 
1 1 1  -12    8   56 o  172.014   5.6633  202.954   12.717  207.628   16.070  195.124   20.801  174.787   6.7847  169.240   9.0696 5.546432 11.32655 
1 1 1  -12    8   57 o  312.614   5.1791  664.408   21.933  639.710   30.746  689.997   31.296  306.689   7.3979  318.539   7.2502 -11.84979 10.35828 
1 1 1  -12    8   58 o  303.424   6.4275  628.288   24.775  629.756   30.203  625.268   43.314  304.281   7.3248  302.568   10.564 1.713135 12.85493 
1 1 1  -12    8   59 o  289.654   5.0881  570.497   19.961  544.754   27.973  597.203   28.493  282.983   7.2946  296.325   7.0955 -13.34143 10.17629 
1 1 1  -12    8   60 o  241.375   4.8909  395.831   15.989  407.957   23.104  384.687   22.149  244.913   6.9613  237.837   6.8721 7.075928 9.781857 
1 1 1  -12    8   61 f   74.680   7.7497   39.966   7.3679   29.917   10.837   48.604   10.047   64.928   12.772   84.432   8.7812 -19.50443 15.49942 
1 1 1  -12    8   62 o  149.820   6.4477  157.716   12.001  141.338   21.235  165.402   14.547  143.711   10.904  155.930   6.8844 -12.21907 12.89533 
1 1 1  -12    8   63 o  120.009   5.6264   98.966   9.0631   90.166   13.385  106.416   12.316  114.985   8.5901  125.032   7.2687 -10.04694 11.25272 
1 1 1  -12    8   64 o  188.931   4.8858  242.895   12.507  244.208   17.876  241.635   17.504  189.424   6.9641  188.437   6.8547 0.9874573 9.771673 
1 1 1  -12    8   65 o  145.535   5.1200  144.561   10.073  134.214   14.341  154.635   14.150  140.353   7.5403  150.717   6.9282 -10.36435 10.23992 
1 1 1  -12    8   66 o  118.834   5.4362   96.515   8.7296   91.866   12.625  100.774   12.084  116.052   8.0278  121.616   7.3322 -5.563858 10.87230 
1 1 1  -12    8   67 o  116.945   6.7791   96.256   9.9642   86.221   17.253  101.279   12.206  112.001   11.367  121.889   7.3894 -9.888283 13.55812 
1 1 1  -12    8   68 o  170.183   6.0949  202.219   13.137  185.676   22.591  210.673   16.148  164.522   10.133  175.844   6.7766 -11.32155 12.18986 
1 1 1  -12    8   69 o   80.940   6.8765   44.931   7.5359   45.233   10.901   44.654   10.429   81.181   9.9093   80.698   9.5367 0.4824600 13.75290 
1 1 1  -12    8   70 o  166.794   5.0316  189.971   11.365  182.243   16.080  197.687   16.067  163.378   7.2628  170.211   6.9655 -6.833588 10.06313 
1 1 1  -12    8   71 o  223.878   4.9691  341.955   15.066  359.019   21.660  325.958   20.971  229.298   6.9705  218.458   7.0839 10.84010 9.938296 
1 1 1  -12    8   72 o   79.329   9.0717   39.841   8.9179   34.624   10.402   54.310   17.323   70.754   10.849   87.904   14.542 -17.14943 18.14339 
1 1 1  -12    8   73 o  241.980   7.0949  400.640   23.265  400.640   23.265   0.0000   0.0000  241.980   7.0949  ?   ?       ?      ? 
1 1 1  -12    8   74 o  154.885   5.1690  164.379   10.818  148.161   15.094  181.509   15.512  146.965   7.5787  162.805   7.0312 -15.83989 10.33803 
1 1 1  -12    8   75 o   33.862   9.1961   5.2679   6.1040   1.4406   8.8543   8.7340   8.4263   30.358   12.741   37.365   13.264 -7.007168 18.39211 
1 1 1  -12    8   76 o  195.754   4.9455  263.044   13.098  244.130   18.377  282.578   18.675  188.528   7.1930  202.981   6.7891 -14.45303 9.890973 
1 1 1  -12    8   77 o  113.874   5.5656   89.399   8.5628   99.036   12.311   80.366   11.918  119.890   7.5774  107.858   8.1540 12.03208 11.13126 
1 1 1  -12    8   78 o   86.295   7.7588   47.058   8.4514   68.448   15.907   38.645   9.9758   98.249   11.948   74.342   9.9022 23.90634 15.51762 
1 1 1  -12    8   79 o  104.864   7.0359   75.951   9.3261   80.614   16.667   73.825   11.253  106.544   11.544  103.183   8.0476 3.361046 14.07188 
1 1 1  -12    8   80 o  111.419   6.8453   88.280   9.6345   84.212   16.764   90.286   11.773  108.714   11.379  114.124   7.6125 -5.409920 13.69069 
1 1 1  -12    8   81 o   48.109   9.6252   13.357   6.9975   31.323   12.096   4.3203   8.5788   64.106   14.289   32.112   12.900 31.99339 19.25039 
1 1 1  -12    8   82 o   61.555   9.4634   31.394   7.7182   17.565   12.667   39.560   9.7337   48.351   16.307   74.760   9.6079 -26.40913 18.92681 
1 1 1  -12    8   83 o   60.523   9.7713   27.941   7.6030   29.122   12.682   27.279   9.4996   60.750   15.387   60.296   12.048 0.4546127 19.54269 
1 1 1  -12    8   84 o   43.840   10.266   14.698   7.2012   10.342   11.869   17.235   9.0590   40.415   15.485   47.266   13.482 -6.851768 20.53185 
1 1 1  -12    8   85 o   55.935   11.816   25.809   9.6207   27.219   12.484   23.748   15.097   58.106   15.549   53.763   17.796 4.342224 23.63200 
1 1 1  -12    8   86 o  135.750   7.8509  133.595   14.343  123.462   18.975  147.103   21.907  130.116   10.761  141.383   11.434 -11.26733 15.70178 
1 1 1  -12    8   87 o   40.698   15.404   11.407   11.656   11.407   11.656   0.0000   0.0000   40.698   15.404  ?   ?       ?      ? 
1 1 1  -12    8   88 o   61.173   15.329   30.712   12.682   30.712   12.682   0.0000   0.0000   61.173   15.329  ?   ?       ?      ? 
1 1 1  -12    8   89 f   52.455   15.854   22.997   12.224   22.997   12.224   0.0000   0.0000   52.455   15.854  ?   ?       ?      ? 
1 1 1  -12    8   90 o   52.873   15.971   23.669   12.407   23.669   12.407   0.0000   0.0000   52.873   15.971  ?   ?       ?      ? 
1 1 1  -12    8   91 o   51.417   15.910   22.588   12.218   22.588   12.218   0.0000   0.0000   51.417   15.910  ?   ?       ?      ? 
1 1 1  -12    9    1 o  857.474   9.8953  4991.14  114.955  5103.32  164.768  4884.75  160.460  866.853   14.026  848.095   13.962 18.75806 19.79066 
1 1 1  -12    9    2 o  209.446   5.6866  292.219   14.625  285.361   17.242  309.808   27.612  205.174   6.2012  213.717   9.5340 -8.542328 11.37329 
1 1 1  -12    9    3 o  450.950   7.4657  1374.70   42.449  1366.20   51.281  1393.19   75.659  448.850   8.4309  453.050   12.323 -4.199799 14.93146 
1 1 1  -12    9    4 o  302.858   4.8890  621.889   20.061  636.471   28.396  607.359   28.346  306.405   6.8389  299.311   6.9884 7.093048 9.777950 
1 1 1  -12    9    5 o  1197.22   13.422  9752.06  217.748  9714.78  307.020  9789.79  308.874  1194.92   18.960  1199.52   19.002 -4.593384 26.84318 
1 1 1  -12    9    6 o  136.885   4.4898  126.972   8.3266  123.274   11.660  130.820   11.895  134.852   6.3807  138.918   6.3184 -4.066605 8.979698 
1 1 1  -12    9    7 o  1177.58   13.210  9432.74  210.795  9532.68  300.072  9335.38  296.185  1183.73   18.706  1171.43   18.658 12.30139 26.42053 
1 1 1  -12    9    8 o  316.424   4.9807  677.847   21.338  719.362   30.774  639.411   29.612  325.743   6.9716  307.104   7.1153 18.63840 9.961475 
1 1 1  -12    9    9 o  474.384   7.5128  1506.52   45.764  1465.26   55.983  1589.64   79.453  464.816   8.8878  483.952   12.115 -19.13513 15.02557 
1 1 1  -12    9   10 o  204.720   5.3762  288.374   14.586  307.751   19.136  261.511   22.531  213.065   6.6277  196.375   8.4668 16.68965 10.75234 
1 1 1  -12    9   11 o  838.407   11.194  4851.96  111.927  4938.39  130.970  4617.89  215.540  853.074   11.329  823.740   19.309 29.33435 22.38712 
1 1 1  -12    9   12 o  354.646   5.9267  858.473   25.257  865.038   29.596  840.882   48.449  357.227   6.1138  352.066   10.155 5.161285 11.85341 
1 1 1  -12    9   13 o  545.811   7.8555  2055.16   51.322  2094.83   60.194  1949.54   98.216  555.815   7.9917  535.808   13.527 20.00653 15.71107 
1 1 1  -12    9   14 o  345.189   6.1164  781.371   26.923  733.626   32.480  886.194   48.127  328.942   7.2865  361.435   9.8259 -32.49341 12.23276 
1 1 1  -12    9   15 o  480.459   7.1237  1559.22   40.629  1551.91   47.142  1580.33   80.111  478.425   7.2712  482.493   12.252 -4.067657 14.24745 
1 1 1  -12    9   16 o  534.810   8.1724  1874.26   55.262  1764.93   66.177  2126.14  100.450  510.076   9.5740  559.545   13.247 -49.46982 16.34487 
1 1 1  -12    9   17 o  690.273   9.4570  3246.41   77.381  3257.63   89.906  3214.34  151.989  692.972   9.5739  687.575   16.312 5.397766 18.91409 
1 1 1  -12    9   18 o  215.384   4.9928  320.086   13.237  328.223   15.826  301.135   24.153  220.053   5.3071  210.716   8.4584 9.336456 9.985529 
1 1 1  -12    9   19 o  363.367   5.9405  863.981   25.577  832.626   29.434  960.663   51.686  350.458   6.1977  376.277   10.136 -25.81918 11.88094 
1 1 1  -12    9   20 o  347.637   5.8602  815.965   24.482  811.748   28.598  827.535   47.367  346.038   6.0987  349.235   10.009 -3.197845 11.72033 
1 1 1  -12    9   21 o  436.904   6.6859  1277.84   34.657  1259.96   40.110  1330.52   68.842  431.081   6.8661  442.727   11.474 -11.64566 13.37189 
1 1 1  -12    9   22 o  537.759   9.6022  1961.99   69.975  1961.99   69.975   0.0000   0.0000  537.759   9.6022  ?   ?       ?      ? 
1 1 1  -12    9   23 o  606.310   9.1737  2513.83   71.160  2549.17   87.603  2445.26  122.010  612.871   10.548  599.748   15.012 13.12256 18.34731 
1 1 1  -12    9   24 o  336.245   6.2251  780.418   27.211  818.718   34.451  716.890   44.369  347.467   7.3164  325.023   10.074 22.44382 12.45017 
1 1 1  -12    9   25 f  494.492   7.8128  1685.54   50.103  1754.07   63.086  1568.46   82.454  508.464   9.1556  480.520   12.662 27.94379 15.62565 
1 1 1  -12    9   26 o  515.549   7.9898  1798.98   52.865  1787.01   64.947  1822.48   91.004  513.187   9.3390  517.912   12.967 -4.724915 15.97958 
1 1 1  -12    9   27 o  560.783   8.4751  2064.36   59.810  1952.34   71.387  2328.22  109.557  536.341   9.8219  585.226   13.814 -48.88531 16.95016 
1 1 1  -12    9   28 o  551.894   6.9502  2067.37   51.979  2068.72   73.698  2066.04   73.323  552.070   9.8510  551.717   9.8071 0.3529053 13.90041 
1 1 1  -12    9   29 o  596.347   7.3519  2414.53   59.412  2395.97   83.847  2433.25   84.196  594.044   10.416  598.651   10.378 -4.607971 14.70373 
1 1 1  -12    9   30 o  394.079   5.5901  1053.57   29.851  1040.22   42.166  1066.98   42.266  391.574   7.9464  396.584   7.8646 -5.010162 11.18017 
1 1 1  -12    9   31 o  440.067   5.9653  1314.04   35.572  1293.03   50.091  1335.42   50.524  436.516   8.4680  443.618   8.4044 -7.102631 11.93064 
1 1 1  -12    9   32 o  374.548   7.7403  951.806   39.287  951.806   39.287   0.0000   0.0000  374.548   7.7403  ?   ?       ?      ? 
1 1 1  -12    9   33 o  180.028   4.5774  219.136   11.147  231.389   16.371  208.543   15.221  184.704   6.5405  175.352   6.4056 9.351563 9.154752 
1 1 1  -12    9   34 f  270.079   6.0103  500.676   20.477  479.771   35.942  510.721   24.916  265.767   9.9797  274.392   6.7007 -8.625763 12.02058 
1 1 1  -12    9   35 o  186.697   4.5945  236.849   11.603  227.084   16.694  245.974   16.137  182.960   6.7331  190.433   6.2533 -7.473572 9.188991 
1 1 1  -12    9   36 o  320.233   5.0859  695.765   22.067  700.415   31.527  691.299   30.898  321.278   7.2414  319.187   7.1433 2.091217 10.17176 
1 1 1  -12    9   37 o  271.217   5.8306  496.707   20.178  507.453   35.216  491.455   24.621  273.299   9.5087  269.136   6.7506 4.163422 11.66127 
1 1 1  -12    9   38 o  128.714   5.9556  111.850   9.6388  114.263   17.299  110.763   11.607  129.663   9.8455  127.766   6.7041 1.897003 11.91122 
1 1 1  -12    9   39 o  398.720   6.8714  1047.11   34.526  1171.01   62.968  993.845   41.285  414.857   11.200  382.582   7.9632 32.27457 13.74277 
1 1 1  -12    9   40 o  284.845   6.2020  552.510   22.390  554.847   27.246  547.649   39.295  285.913   7.0322  283.778   10.218 2.134247 12.40408 
1 1 1  -12    9   41 o  419.024   8.3063  1192.72   47.166  1192.72   47.166   0.0000   0.0000  419.024   8.3063  ?   ?       ?      ? 
1 1 1  -12    9   42 o  274.556   6.7240  512.786   24.998  506.055   35.933  519.099   34.799  272.788   9.7205  276.324   9.2931 -3.536896 13.44808 
1 1 1  -12    9   43 o  480.435   9.1347  1569.28   59.472  1569.28   59.472   0.0000   0.0000  480.435   9.1347  ?   ?       ?      ? 
1 1 1  -12    9   44 o  360.520   5.4165  882.731   26.457  889.678   37.877  876.113   36.970  361.897   7.7234  359.143   7.5963 2.754578 10.83303 
1 1 1  -12    9   45 o  181.320   4.7697  223.741   11.683  215.339   17.014  231.237   16.071  178.074   7.0505  184.565   6.4257 -6.491104 9.539345 
1 1 1  -12    9   46 o  365.015   6.7691  895.033   31.191  938.576   55.903  875.351   37.585  371.105   11.116  358.925   7.7273 12.17953 13.53819 
1 1 1  -12    9   47 o  189.357   6.0198  243.155   14.577  241.822   17.849  245.826   25.260  188.690   6.9805  190.023   9.8093 -1.333466 12.03954 
1 1 1  -12    9   48 o  421.897   5.9351  1209.56   33.919  1244.77   48.790  1176.61   47.188  427.833   8.4154  415.962   8.3714 11.87064 11.87015 
1 1 1  -12    9   49 o  324.877   5.2285  717.418   23.013  705.601   32.703  729.010   32.391  322.214   7.4897  327.540   7.2975 -5.326385 10.45703 
1 1 1  -12    9   50 o  235.749   5.9155  374.706   17.542  387.101   31.540  369.155   21.107  238.377   9.7638  233.120   6.6814 5.257568 11.83104 
1 1 1  -12    9   51 o  211.404   5.8654  300.550   15.532  313.223   28.199  295.031   18.609  214.408   9.7054  208.401   6.5893 6.007202 11.73088 
1 1 1  -12    9   52 o  332.196   5.2814  748.526   23.746  788.132   34.639  713.411   32.616  340.460   7.5078  323.931   7.4300 16.52933 10.56279 
1 1 1  -12    9   53 o  143.817   5.6612  136.038   10.808  118.682   13.699  164.653   17.589  132.098   7.6524  155.537   8.3450 -23.43912 11.32242 
1 1 1  -12    9   54 o  232.072   5.6718  361.781   17.186  349.528   21.424  383.901   28.785  226.754   6.9721  237.391   8.9480 -10.63759 11.34359 
1 1 1  -12    9   55 o  161.491   4.8987  175.783   10.673  198.920   15.926  156.923   14.380  171.059   6.8705  151.923   6.9846 19.13535 9.797362 
1 1 1  -12    9   56 o  245.502   6.1547  414.927   19.294  423.882   23.758  397.585   33.064  249.669   7.0221  241.336   10.110 8.333405 12.30934 
1 1 1  -12    9   57 o   97.134   5.9671   64.124   7.8353   66.321   11.564   62.260   10.653   98.655   8.6498   95.613   8.2223 3.042236 11.93419 
1 1 1  -12    9   58 o  285.349   5.0722  554.071   19.602  529.951   27.643  578.463   27.799  279.079   7.3093  291.618   7.0345 -12.53894 10.14445 
1 1 1  -12    9   59 o  119.188   5.6513   95.179   9.0153  119.208   13.661   76.640   11.999  132.326   7.6182  106.051   8.3495 26.27527 11.30267 
1 1 1  -12    9   60 o  227.497   5.9934  351.924   17.290  355.355   30.443  350.290   21.007  228.071   9.8498  226.923   6.8312 1.148727 11.98685 
1 1 1  -12    9   61 o  277.352   6.1890  518.014   21.788  543.954   38.649  505.931   26.379  282.063   10.111  272.641   7.1397 9.422546 12.37808 
1 1 1  -12    9   62 o  253.220   4.9945  436.582   17.132  431.755   24.483  441.213   23.982  251.830   7.1742  254.610   6.9508 -2.780487 9.989094 
1 1 1  -12    9   63 o  228.601   4.9425  354.717   15.288  377.735   22.354  334.491   20.955  235.545   7.0033  221.657   6.9763 13.88840 9.885057 
1 1 1  -12    9   64 o  250.737   4.9904  427.826   16.947  439.227   24.464  417.307   23.499  253.936   7.1091  247.537   7.0053 6.398712 9.980714 
1 1 1  -12    9   65 o  202.131   5.9525  268.174   15.216  309.180   27.720  250.491   18.203  212.514   9.6255  191.747   7.0055 20.76639 11.90493 
1 1 1  -12    9   66 o  171.328   6.2820  204.635   13.510  190.272   23.707  211.543   16.440  166.467   10.509  176.189   6.8857 -9.722519 12.56405 
1 1 1  -12    9   67 o  186.897   4.9818  237.325   12.593  257.086   18.449  220.085   17.232  194.160   7.0117  179.634   7.0788 14.52615 9.963622 
1 1 1  -12    9   68 o  184.718   4.9719  233.229   12.423  219.100   17.683  246.997   17.456  179.137   7.2844  190.299   6.7690 -11.16165 9.943895 
1 1 1  -12    9   69 o  123.106   5.4951  103.930   9.1438   97.859   13.130  109.646   12.741  119.556   8.1043  126.657   7.4234 -7.100922 10.99030 
1 1 1  -12    9   70 o  270.344   5.1348  499.225   18.799  524.450   27.054  475.674   26.142  276.958   7.2084  263.729   7.3147 13.22845 10.26964 
1 1 1  -12    9   71 o   78.891   9.4808   40.547   8.9998   35.809   10.495   53.711   17.492   71.899   10.772   85.883   15.605 -13.98391 18.96170 
1 1 1  -12    9   72 o  179.298   5.8194  217.947   13.680  209.518   17.141  232.732   22.701  174.878   7.2330  183.718   9.1185 -8.839890 11.63886 
1 1 1  -12    9   73 o  135.201   5.2291  125.714   9.5590  118.320   13.680  132.768   13.363  131.238   7.6921  139.164   7.0857 -7.926300 10.45825 
1 1 1  -12    9   74 f  148.807   5.1028  152.102   10.286  150.439   14.702  153.696   14.397  147.978   7.3313  149.635   7.0998 -1.657181 10.20564 
1 1 1  -12    9   75 o   70.759   7.1411   34.739   6.8117   40.062   9.9922   30.118   9.3103   75.871   9.7185   65.647   10.466 10.22455 14.28217 
1 1 1  -12    9   76 o   79.161   6.8816   43.779   7.1682   58.307   10.517   31.173   9.7965   91.728   8.4604   66.594   10.856 25.13441 13.76314 
1 1 1  -12    9   77 o   54.975   9.5122   16.157   7.1719   42.657   13.714   6.1807   8.4143   75.864   13.849   34.086   13.043 41.77864 19.02449 
1 1 1  -12    9   78 o  123.892   7.5739  106.308   12.716   0.0000   0.0000  106.308   12.716  ?   ?   123.892   7.5739      ?      ? 
1 1 1  -12    9   79 o  115.213   6.7593   92.262   9.8734   96.831   17.493   90.126   11.961  116.541   11.076  113.885   7.7501 2.656158 13.51853 
1 1 1  -12    9   80 o   79.326   7.9013   40.966   8.0600   60.153   14.458   32.313   9.7087   91.354   11.679   67.298   10.646 24.05598 15.80261 
1 1 1  -12    9   81 o  124.722   6.4956  107.951   10.324  115.977   18.206  104.146   12.535  127.246   10.558  122.197   7.5696 5.049141 12.99125 
1 1 1  -12    9   82 o   75.766   9.0112   46.386   8.1008   33.446   13.839   53.131   9.9914   64.709   15.896   86.823   8.4920 -22.11445 18.02243 
1 1 1  -12    9   83 o  114.939   8.3059   95.899   12.868   86.204   17.179  108.293   19.422  108.432   11.691  121.445   11.802 -13.01366 16.61189 
1 1 1  -12    9   84 o   73.735   10.852   43.688   10.585   48.368   14.170   37.781   15.921   80.235   13.032   67.236   17.356 12.99881 21.70395 
1 1 1  -12    9   85 o   72.514   10.967   41.263   10.319   35.095   13.298   50.598   16.360   65.953   15.192   79.076   15.820 -13.12276 21.93306 
1 1 1  -12    9   86 o   97.316   11.539   70.292   15.217   70.292   15.217   0.0000   0.0000   97.316   11.539  ?   ?       ?      ? 
1 1 1  -12    9   87 o   53.802   15.975   24.189   12.493   24.189   12.493   0.0000   0.0000   53.802   15.975  ?   ?       ?      ? 
1 1 1  -12    9   88 o   55.952   16.091   26.493   12.853   26.493   12.853   0.0000   0.0000   55.952   16.091  ?   ?       ?      ? 
1 1 1  -12    9   89 o   40.796   15.477   12.160   11.784   12.160   11.784   0.0000   0.0000   40.796   15.477  ?   ?       ?      ? 
1 1 1  -12    9   90 o   45.218   15.871   16.922   12.035   16.922   12.035   0.0000   0.0000   45.218   15.871  ?   ?       ?      ? 
1 1 1  -12   10    1 o  316.563   5.9677  686.845   24.690  651.916   40.142  708.100   31.314  309.974   9.5563  323.151   7.1506 -13.17743 11.93546 
1 1 1  -12   10    2 o  516.270   7.9810  1818.58   53.284  1778.07   89.459  1840.86   66.335  511.643   12.903  520.897   9.3974 -9.253326 15.96205 
1 1 1  -12   10    3 o  578.790   8.7198  2304.34   65.469  2169.76  108.044  2382.42   82.298  565.065   14.110  592.515   10.250 -27.44983 17.43963 
1 1 1  -12   10    4 o  267.754   5.5080  481.757   19.224  502.208   32.207  470.437   23.961  272.098   8.7345  263.410   6.7126 8.687500 11.01593 
1 1 1  -12   10    5 o  468.517   7.4777  1508.54   45.483  1422.03   74.954  1558.95   57.223  457.635   12.086  479.398   8.8083 -21.76297 14.95542 
1 1 1  -12   10    6 o  201.386   5.2332  277.580   13.854  264.085   22.218  286.164   17.720  197.323   8.3088  205.449   6.3647 -8.125824 10.46644 
1 1 1  -12   10    7 o  484.644   7.6214  1593.91   47.610  1594.93   80.979  1593.37   58.857  484.637   12.330  484.651   8.9616 -0.1443481E-01 15.24285 
1 1 1  -12   10    8 o  276.214   5.5660  504.136   19.916  561.843   34.313  474.818   24.457  287.797   8.7981  264.631   6.8200 23.16647 11.13194 
1 1 1  -12   10    9 o  605.780   9.0381  2507.71   70.661  2441.55  119.011  2543.74   87.815  599.344   14.653  612.216   10.585 -12.87177 18.07615 
1 1 1  -12   10   10 o  536.016   8.2403  1970.86   57.024  2019.76   71.095  1882.67   95.483  545.604   9.6157  526.427   13.385 19.17706 16.48054 
1 1 1  -12   10   11 o  332.565   9.8586  750.468   44.430   0.0000   0.0000  750.468   44.430  ?   ?   332.565   9.8586      ?      ? 
1 1 1  -12   10   12 o  159.168   6.4088  176.100   13.481  145.246   20.235  200.721   18.076  146.297   10.207  172.038   7.7536 -25.74062 12.81769 
1 1 1  -12   10   13 o  281.609   6.7632  539.076   25.724  524.560   37.655  551.778   35.225  278.030   9.9943  285.188   9.1147 -7.158112 13.52642 
1 1 1  -12   10   14 o  257.732   5.4940  444.094   18.329  429.643   22.602  471.858   31.328  251.727   6.6256  263.737   8.7656 -12.01007 10.98796 
1 1 1  -12   10   15 o  610.132   9.0623  2520.08   70.746  2502.43   86.637  2555.41  122.563  607.192   10.529  613.072   14.752 -5.880371 18.12454 
1 1 1  -12   10   16 o  239.065   5.4209  388.536   16.845  390.919   21.068  384.312   28.049  240.116   6.4746  238.014   8.6962 2.101883 10.84176 
1 1 1  -12   10   17 o  427.391   7.0285  1236.83   38.621  1230.74   47.558  1248.63   66.186  425.956   8.2389  428.825   11.390 -2.868500 14.05708 
1 1 1  -12   10   18 o  460.433   7.4051  1446.22   43.996  1462.89   54.624  1415.45   74.234  464.360   8.6805  456.506   12.000 7.853882 14.81030 
1 1 1  -12   10   19 o  187.511   5.0425  241.852   11.715  247.081   14.057  229.961   21.197  190.912   5.4335  184.111   8.4961 6.800842 10.08494 
1 1 1  -12   10   20 o  361.943   7.7864  888.589   38.191  888.589   38.191   0.0000   0.0000  361.943   7.7864  ?   ?       ?      ? 
1 1 1  -12   10   21 o  470.142   7.0956  1505.38   39.740  1510.88   46.296  1489.99   77.463  471.987   7.2382  468.297   12.206 3.689575 14.19116 
1 1 1  -12   10   22 o  353.327   5.9626  844.887   25.351  842.392   29.653  851.664   48.870  352.470   6.2081  354.185   10.182 -1.715393 11.92528 
1 1 1  -12   10   23 o  358.723   6.1092  897.419   26.565  929.785   31.536  818.339   49.294  370.293   6.2846  347.153   10.478 23.14044 12.21838 
1 1 1  -12   10   24 o  354.238   5.9596  844.595   25.304  836.843   29.486  866.259   49.291  351.297   6.1937  357.180   10.184 -5.882050 11.91920 
1 1 1  -12   10   25 o  278.492   5.7558  532.413   20.855  549.462   26.300  503.529   34.232  284.628   6.8186  272.356   9.2749 12.27164 11.51161 
1 1 1  -12   10   26 o  346.290   5.2320  812.832   24.542  837.256   35.348  790.102   34.100  351.306   7.4250  341.273   7.3734 10.03311 10.46410 
1 1 1  -12   10   27 o  398.293   5.6297  1076.04   30.378  1041.69   42.536  1111.80   43.398  391.804   8.0113  404.781   7.9116 -12.97757 11.25942 
1 1 1  -12   10   28 o  186.596   4.5806  236.236   11.572  234.187   16.687  238.133   16.062  185.812   6.6269  187.380   6.3255 -1.567856 9.161199 
1 1 1  -12   10   29 o  479.138   6.3031  1558.53   40.923  1569.28   58.323  1548.10   57.434  480.762   8.9521  477.515   8.8757 3.246948 12.60629 
1 1 1  -12   10   30 o  162.066   4.7080  177.260   10.309  190.123   15.321  166.617   13.935  167.408   6.7535  156.723   6.5614 10.68459 9.416041 
1 1 1  -12   10   31 o  718.687   10.572  3548.31   97.248  3439.21  166.353  3604.96  119.862  709.469   17.303  727.904   12.151 -18.43573 21.14328 
1 1 1  -12   10   32 o  173.115   6.3740  203.301   14.953   0.0000   0.0000  203.301   14.953  ?   ?   173.115   6.3740      ?      ? 
1 1 1  -12   10   33 o  405.338   6.9476  1109.62   35.895  1136.97   62.816  1096.36   43.739  408.823   11.339  401.853   8.0320 6.969849 13.89512 
1 1 1  -12   10   34 f  472.291   7.6918  1527.28   46.563  1485.66   79.526  1548.99   57.437  467.061   12.565  477.522   8.8760 -10.46109 15.38360 
1 1 1  -12   10   35 o  196.342   4.6610  261.683   12.385  259.701   17.950  263.484   17.110  195.624   6.7709  197.059   6.4073 -1.435730 9.322006 
1 1 1  -12   10   36 f  232.337   4.7466  366.454   14.934  349.883   21.072  383.178   21.169  227.050   6.8487  237.623   6.5739 -10.57330 9.493180 
1 1 1  -12   10   37 o  318.924   7.0791  691.096   30.567  706.335   44.361  677.318   42.179  322.250   10.158  315.597   9.8623 6.653778 14.15824 
1 1 1  -12   10   38 o  183.327   6.7493  228.784   16.747  235.173   23.325  221.988   24.059  185.991   9.2542  180.664   9.8271 5.327408 13.49858 
1 1 1  -12   10   39 o  340.289   5.2692  786.451   24.292  763.985   34.287  809.092   34.421  335.400   7.5437  345.179   7.3586 -9.778748 10.53834 
1 1 1  -12   10   40 o  385.988   5.6012  1012.26   29.295  1005.93   41.652  1018.45   41.211  384.785   7.9879  387.191   7.8542 -2.406006 11.20244 
1 1 1  -12   10   41 o  212.950   4.6944  307.929   13.531  306.466   19.592  309.262   18.709  212.456   6.8051  213.444   6.4682 -0.9880676 9.388711 
1 1 1  -12   10   42 o  237.767   4.7417  382.368   15.248  409.910   22.416  358.647   20.803  245.704   6.7322  229.831   6.6792 15.87306 9.483396 
1 1 1  -12   10   43 o  168.273   4.7370  193.194   10.744  172.792   15.350  212.794   15.045  159.498   7.1016  177.048   6.2707 -17.54933 9.473920 
1 1 1  -12   10   44 o  117.364   5.1807   93.649   8.2150   92.706   12.061   94.466   11.221  116.799   7.6198  117.929   7.0212 -1.129791 10.36137 
1 1 1  -12   10   45 o  178.272   4.6861  216.127   11.298  210.578   16.384  221.157   15.599  176.072   6.8668  180.471   6.3784 -4.399094 9.372181 
1 1 1  -12   10   46 o  164.692   4.7291  184.781   10.519  175.519   15.267  193.153   14.514  160.731   7.0092  168.653   6.3505 -7.921478 9.458176 
1 1 1  -12   10   47 o   99.979   5.5284   67.640   7.4344   70.538   11.319   65.441   9.8592  101.836   8.2021   98.122   7.4147 3.713913 11.05683 
1 1 1  -12   10   48 o  217.116   5.8859  320.540   15.977  321.197   28.829  320.249   19.194  217.104   9.7989  217.128   6.5234 -0.2430725E-01 11.77172 
1 1 1  -12   10   49 o   83.397   7.7306   46.886   7.7698   48.773   15.043   46.199   9.0740   84.390   13.154   82.404   8.1258 1.986069 15.46122 
1 1 1  -12   10   50 o  168.654   5.5627  190.628   12.429  180.663   15.803  206.788   20.125  163.020   7.1534  174.289   8.5208 -11.26860 11.12537 
1 1 1  -12   10   51 o  284.158   7.0477  548.762   27.042  573.508   40.298  528.490   36.474  289.909   10.258  278.407   9.6677 11.50165 14.09541 
1 1 1  -12   10   52 o  215.736   7.1997  317.545   21.041  305.544   29.502  329.967   30.016  211.572   10.290  219.899   10.073 -8.326996 14.39940 
1 1 1  -12   10   53 o  239.244   6.1332  385.390   18.753  376.554   22.855  403.594   32.805  235.303   7.1674  243.185   9.9546 -7.882050 12.26648 
1 1 1  -12   10   54 o  344.087   6.7918  820.791   29.963  850.351   37.203  766.223   50.547  353.458   7.7671  334.717   11.144 18.74072 13.58363 
1 1 1  -12   10   55 o  119.681   5.6441   98.219   9.0848   90.005   13.321  105.362   12.422  114.926   8.5533  124.436   7.3664 -9.509735 11.28815 
1 1 1  -12   10   56 o  233.445   4.9735  370.561   15.715  374.095   22.838  367.383   21.657  234.481   7.1874  232.409   6.8764 2.072205 9.946991 
1 1 1  -12   10   57 o  394.681   5.8107  1061.58   31.074  1044.10   44.030  1078.93   43.861  391.421   8.3008  397.940   8.1336 -6.519714 11.62148 
1 1 1  -12   10   58 o  222.745   6.0358  332.534   16.889  353.693   30.640  323.301   20.241  227.498   9.9387  217.992   6.8518 9.505478 12.07165 
1 1 1  -12   10   59 o   92.715   8.6571   63.506   9.1089   52.132   17.188   67.948   10.741   85.574   15.387   99.856   7.9378 -14.28145 17.31418 
1 1 1  -12   10   60 o  269.231   5.0459  493.676   18.396  489.262   26.463  497.804   25.591  268.039   7.2854  270.424   6.9834 -2.385162 10.09179 
1 1 1  -12   10   61 o  188.994   4.9287  243.139   12.599  244.241   18.413  242.170   17.276  189.369   7.1752  188.619   6.7591 0.7498932 9.857438 
1 1 1  -12   10   62 o  355.184   5.5362  858.886   26.619  893.554   38.750  827.909   36.629  361.937   7.9004  348.430   7.7576 13.50699 11.07236 
1 1 1  -12   10   63 o  144.551   5.2978  141.776   10.323  149.174   15.564  135.967   13.793  147.866   7.7674  141.236   7.2065 6.629730 10.59561 
1 1 1  -12   10   64 o  213.595   6.1022  312.186   16.382  311.442   29.226  312.527   19.783  213.041   10.123  214.149   6.8169 -1.108459 12.20445 
1 1 1  -12   10   65 f  236.295   7.1897  380.968   23.022  380.968   23.022   0.0000   0.0000  236.295   7.1897  ?   ?       ?      ? 
1 1 1  -12   10   66 o  124.950   5.4931  107.497   9.2329   96.587   13.397  117.367   12.742  118.786   8.3227  131.114   7.1715 -12.32756 10.98622 
1 1 1  -12   10   67 o  256.859   5.0548  451.041   17.583  438.431   25.087  463.215   24.649  253.280   7.3092  260.438   6.9842 -7.157730 10.10958 
1 1 1  -12   10   68 o   96.633   6.1768   64.240   8.0510   62.885   11.902   65.384   10.932   95.623   9.1848   97.643   8.2615 -2.019493 12.35367 
1 1 1  -12   10   69 o  111.617   7.2963   83.238   10.426   77.689   12.625   95.137   18.489  106.284   8.7659  116.950   11.666 -10.66575 14.59264 
1 1 1  -12   10   70 o  147.790   5.9739  149.140   11.674  145.267   14.872  155.357   18.843  145.536   7.5408  150.044   9.2674 -4.507843 11.94778 
1 1 1  -12   10   71 o   82.695   7.4423   47.675   8.2128   48.313   10.768   46.788   12.698   83.552   9.5106   81.839   11.450 1.712883 14.88452 
1 1 1  -12   10   72 o  153.574   5.0515  161.844   10.493  163.344   15.342  160.525   14.384  154.185   7.3427  152.962   6.9394 1.223312 10.10298 
1 1 1  -12   10   73 o   74.873   7.0188   39.608   7.0030   35.040   10.497   43.273   9.4012   70.702   10.956   79.044   8.7767 -8.341942 14.03762 
1 1 1  -12   10   74 o  100.112   5.8816   68.715   7.9397   77.528   11.937   61.724   10.633  105.809   8.3253   94.415   8.3102 11.39459 11.76311 
1 1 1  -12   10   75 o  134.407   5.2169  124.655   9.4902  126.238   13.806  123.237   13.067  135.160   7.5375  133.653   7.2147 1.507141 10.43390 
1 1 1  -12   10   76 o   49.705   9.8234   20.075   7.1172   9.3417   13.064   24.606   8.4874   41.395   16.141   58.014   11.202 -16.61861 19.64680 
1 1 1  -12   10   77 o   93.542   7.8459   60.690   8.8103   66.105   17.240   58.775   10.250   95.253   13.356   91.831   8.2365 3.421455 15.69170 
1 1 1  -12   10   78 o   64.567   9.3430   30.635   7.3774   32.043   13.649   30.053   8.7685   64.005   15.826   65.129   9.9350 -1.123940 18.68595 
1 1 1  -12   10   79 o   70.670   9.1123   38.037   7.7634   34.984   13.966   39.403   9.3393   66.675   15.714   74.665   9.2302 -7.990440 18.22463 
1 1 1  -12   10   80 f   85.967   8.2865   56.053   8.5273   49.468   14.994   59.201   10.367   80.199   14.322   91.734   8.3396 -11.53529 16.57307 
1 1 1  -12   10   81 o   79.991   10.698   50.812   11.147   57.575   14.989   42.443   16.675   88.160   12.546   71.822   17.331 16.33714 21.39583 
1 1 1  -12   10   82 o   93.939   9.2059   66.192   11.554   66.195   15.179   66.188   17.815   94.740   11.823   93.139   14.114 1.600830 18.41178 
1 1 1  -12   10   83 o   71.929   11.483   41.784   10.855   37.430   14.336   47.636   16.619   67.733   15.893   76.124   16.580 -8.390709 22.96673 
1 1 1  -12   10   84 o  105.562   9.0758   81.112   12.673   61.425   16.380  110.470   20.003   89.622   13.487  121.502   12.148 -31.88046 18.15159 
1 1 1  -12   10   85 o  117.208   11.118  101.636   17.658  101.636   17.658   0.0000   0.0000  117.208   11.118  ?   ?       ?      ? 
1 1 1  -12   10   86 o   62.844   16.001   33.168   13.663   33.168   13.663   0.0000   0.0000   62.844   16.001  ?   ?       ?      ? 
1 1 1  -12   10   87 o   35.987   14.776   6.7119   11.547   6.7119   11.547   0.0000   0.0000   35.987   14.776  ?   ?       ?      ? 
1 1 1  -12   10   88 o   51.073   16.057   22.376   12.389   22.376   12.389   0.0000   0.0000   51.073   16.057  ?   ?       ?      ? 
1 1 1  -12   10   89 o   28.537   12.936  -2.4105   10.802  -2.4105   10.802   0.0000   0.0000   28.537   12.936  ?   ?       ?      ? 
1 1 1  -12   11    1 o  462.616   6.1572  1452.45   38.597  1470.55   54.523  1434.28   54.646  465.510   8.6431  459.722   8.7716 5.787842 12.31439 
1 1 1  -12   11    2 o  861.408   9.9941  5043.20  116.605  5217.87  168.139  4881.36  161.849  875.755   14.168  847.062   14.100 28.69348 19.98828 
1 1 1  -12   11    3 o  418.071   5.7913  1183.58   32.776  1135.66   45.106  1237.20   47.706  409.125   8.1357  427.016   8.2442 -17.89096 11.58261 
1 1 1  -12   11    4 o  259.749   4.7246  457.645   16.624  460.919   23.250  454.221   23.780  260.703   6.5810  258.795   6.7807 1.908112 9.449213 
1 1 1  -12   11    5 o  274.178   4.7806  509.694   17.755  505.521   24.730  514.135   25.508  273.023   6.6840  275.333   6.8366 -2.310577 9.561134 
1 1 1  -12   11    6 o  254.552   4.6940  439.423   16.187  439.181   22.599  439.679   23.195  254.483   6.5530  254.621   6.7224 -0.1385345 9.387914 
1 1 1  -12   11    7 o  269.010   4.7827  490.483   17.427  481.412   24.209  500.240   25.107  266.432   6.7051  271.588   6.8218 -5.155731 9.565354 
1 1 1  -12   11    8 o  247.003   4.7426  411.542   15.827  372.287   21.560  457.425   23.308  234.294   6.7904  259.712   6.6228 -25.41812 9.485287 
1 1 1  -12   11    9 o  422.760   7.2791  1207.42   38.987  1230.93   68.957  1196.38   47.266  425.611   11.956  419.908   8.3064 5.703125 14.55813 
1 1 1  -12   11   10 o  838.088   11.942  4798.40  128.640  4823.69  158.790  4750.11  219.425  842.087   13.915  834.088   19.413 7.998413 23.88497 
1 1 1  -12   11   11 o  448.153   6.9097  1382.52   37.030  1404.68   43.370  1322.93   71.130  455.083   7.0326  441.223   11.896 13.85938 13.81948 
1 1 1  -12   11   12 o  194.754   5.0014  257.241   11.928  257.212   14.116  257.316   22.307  194.778   5.3480  194.730   8.4531 0.4740906E-01 10.00283 
1 1 1  -12   11   13 o  443.198   6.8329  1343.88   36.147  1355.61   42.212  1311.63   69.991  447.062   6.9676  439.333   11.756 7.729034 13.66582 
1 1 1  -12   11   14 f  205.533   5.0328  287.549   12.672  288.912   15.017  284.181   23.612  206.430   5.3683  204.636   8.5146 1.793442 10.06562 
1 1 1  -12   11   15 o  139.472   4.9418  126.873   8.6465  119.253   10.281  145.284   15.981  132.618   5.7208  146.327   8.0595 -13.70872 9.883523 
1 1 1  -12   11   16 o  466.196   7.2100  1474.33   45.550  1474.33   45.550   0.0000   0.0000  466.196   7.2100  ?   ?       ?      ? 
1 1 1  -12   11   17 f  904.723   12.039  5564.48  147.604  5564.48  147.604   0.0000   0.0000  904.723   12.039  ?   ?       ?      ? 
1 1 1  -12   11   18 o  137.383   5.2878  128.132   9.1300  128.266   11.019  127.837   16.307  137.531   5.9123  137.234   8.7685 0.2976532 10.57553 
1 1 1  -12   11   19 o  563.252   8.1015  2174.93   54.356  2195.74   63.424  2117.35  105.492  568.801   8.2283  557.703   13.958 11.09796 16.20309 
1 1 1  -12   11   20 o  605.242   8.6019  2537.66   62.360  2593.29   73.231  2390.89  118.947  618.071   8.7433  592.414   14.816 25.65723 17.20385 
1 1 1  -12   11   21 o  448.103   6.8452  1334.20   36.141  1305.03   41.604  1423.92   72.961  438.592   7.0000  457.614   11.765 -19.02109 13.69033 
1 1 1  -12   11   22 o  153.557   5.1279  164.145   9.7929  171.043   11.852  149.300   17.387  158.819   5.5067  148.294   8.6520 10.52452 10.25575 
1 1 1  -12   11   23 f  331.930   5.8004  738.109   23.112  727.089   26.919  769.018   45.082  327.416   6.0669  336.445   9.8879 -9.028931 11.60076 
1 1 1  -12   11   24 o  258.216   5.6505  451.998   19.046  450.404   23.895  454.776   31.537  257.655   6.8437  258.778   8.9932 -1.123474 11.30104 
1 1 1  -12   11   25 o  211.135   5.3749  299.645   14.936  290.788   18.857  314.563   24.471  207.026   6.7213  215.244   8.3894 -8.218018 10.74980 
1 1 1  -12   11   26 o  235.346   5.5362  375.010   17.080  372.165   21.536  379.832   28.040  234.201   6.7858  236.492   8.7493 -2.290924 11.07231 
1 1 1  -12   11   27 f  439.363   7.2233  1292.90   40.708  1254.10   49.718  1371.81   70.909  429.728   8.5376  448.999   11.654 -19.27133 14.44663 
1 1 1  -12   11   28 o  117.841   5.7619   93.540   9.1356   88.399   12.090  100.382   13.947  114.108   7.8188  121.575   8.4656 -7.467171 11.52389 
1 1 1  -12   11   29 o  545.059   8.5562  2019.99   59.124  2031.40  104.055  2014.55   71.849  545.721   14.071  544.398   9.7392 1.323669 17.11231 
1 1 1  -12   11   30 o  444.970   6.0608  1344.55   36.537  1365.50   52.401  1324.72   50.971  448.335   8.6249  441.604   8.5174 6.731323 12.12168 
1 1 1  -12   11   31 o  156.032   4.6868  164.597   9.8906  176.110   14.542  154.687   13.492  161.089   6.6616  150.975   6.5945 10.11320 9.373600 
1 1 1  -12   11   32 o  130.076   6.4636  115.279   11.282  112.983   17.106  117.046   15.009  128.897   9.7934  131.256   8.4382 -2.358444 12.92728 
1 1 1  -12   11   33 o  366.916   10.823  916.390   53.814  916.390   53.814   0.0000   0.0000  366.916   10.823  ?   ?       ?      ? 
1 1 1  -12   11   34 o   64.640   7.5322   30.772   6.0594   21.805   9.4505   37.032   7.8960   55.445   12.832   73.835   7.8915 -18.39013 15.06439 
1 1 1  -12   11   35 o  140.079   6.2068  138.194   11.007  148.511   13.655  119.056   18.598  147.903   6.8128  132.255   10.377 15.64780 12.41357 
1 1 1  -12   11   36 o  145.226   6.0591  143.203   11.267  142.873   13.823  143.855   19.445  145.054   7.0323  145.398   9.8690 -0.3447418 12.11813 
1 1 1  -12   11   37 o  273.503   4.8954  508.311   18.131  490.927   25.803  525.267   25.483  268.867   7.0818  278.139   6.7608 -9.272736 9.790818 
1 1 1  -12   11   38 o  221.678   4.7053  333.865   14.123  327.917   20.288  339.456   19.671  219.751   6.8130  223.606   6.4917 -3.855316 9.410600 
1 1 1  -12   11   39 o  256.024   4.8232  445.162   16.723  444.801   24.094  445.497   23.228  255.913   6.9476  256.135   6.6922 -0.2219238 9.646460 
1 1 1  -12   11   40 o  196.804   4.6862  263.050   12.476  262.556   18.176  263.490   17.157  196.617   6.8217  196.992   6.4270 -0.3754120 9.372360 
1 1 1  -12   11   41 o  151.208   4.8312  154.384   9.8546  164.603   14.814  146.271   13.199  155.660   7.0227  146.757   6.6366 8.903244 9.662473 
1 1 1  -12   11   42 o  341.005   5.3256  786.678   24.552  849.513   36.236  733.350   33.382  353.530   7.5636  328.480   7.4994 25.05045 10.65123 
1 1 1  -12   11   43 o  339.004   5.3018  780.736   24.343  794.237   35.111  768.239   33.781  341.812   7.5800  336.195   7.4148 5.617218 10.60355 
1 1 1  -12   11   44 o  150.191   4.8765  153.535   9.8905  149.837   14.508  156.745   13.519  148.479   7.2105  151.903   6.5673 -3.424026 9.752934 
1 1 1  -12   11   45 o  208.210   4.7413  294.765   13.359  290.113   19.330  299.017   18.482  206.620   6.9037  209.801   6.5008 -3.181305 9.482677 
1 1 1  -12   11   46 o  131.288   6.3741  114.459   10.277  124.351   19.496  110.652   12.094  134.983   10.658  127.593   6.9947 7.390099 12.74828 
1 1 1  -12   11   47 o  243.427   6.7892  404.596   22.298  396.628   32.931  411.341   30.301  241.135   10.078  245.719   9.0999 -4.583481 13.57836 
1 1 1  -12   11   48 o  175.013   5.6799  210.729   13.118  219.333   16.939  197.838   20.733  179.620   6.9592  170.405   8.9786 9.215546 11.35981 
1 1 1  -12   11   49 o  293.544   5.0836  585.282   20.207  603.551   29.289  568.687   27.914  297.900   7.2552  289.187   7.1229 8.712555 10.16726 
1 1 1  -12   11   50 o  169.713   4.8839  196.269   11.198  189.348   16.308  202.443   15.404  166.849   7.2127  172.577   6.5867 -5.727646 9.767743 
1 1 1  -12   11   51 o  321.067   5.2703  699.933   22.903  732.227   33.402  671.275   31.465  328.031   7.5140  314.103   7.3922 13.92801 10.54064 
1 1 1  -12   11   52 o  127.596   6.7818  104.381   11.273   88.253   13.807  136.624   19.522  113.769   8.9556  141.423   10.187 -27.65472 13.56353 
1 1 1  -12   11   53 o  198.825   4.9794  269.051   13.394  266.838   19.474  271.037   18.451  198.025   7.2568  199.626   6.8204 -1.601654 9.958876 
1 1 1  -12   11   54 o  106.849   6.1044   79.662   8.6234   66.551   12.990   89.994   11.531   98.716   9.7104  114.982   7.4002 -16.26688 12.20875 
1 1 1  -12   11   55 o  234.211   6.0337  364.875   17.732  398.246   32.422  350.633   21.181  241.407   9.9107  227.015   6.8850 14.39148 12.06747 
1 1 1  -12   11   56 o  152.415   6.6457  164.393   12.234  145.697   22.620  172.123   14.546  145.775   11.451  159.055   6.7484 -13.27995 13.29138 
1 1 1  -12   11   57 o   74.922   10.201   44.653   8.7392   29.319   16.824   50.320   10.227   63.980   18.413   85.863   8.7895 -21.88281 20.40290 
1 1 1  -12   11   58 o   62.028   12.114   27.700   10.543   25.409   15.125   29.865   14.704   59.744   17.535   64.313   16.718 -4.568817 24.22708 
1 1 1  -12   11   59 o  167.926   5.0571  191.796   11.490  197.387   16.810  186.894   15.742  170.201   7.2884  165.650   7.0127 4.550903 10.11428 
1 1 1  -12   11   60 o  121.077   5.5838   99.872   9.0920  101.290   13.774   98.777   12.103  121.787   8.3460  120.366   7.4202 1.421257 11.16761 
1 1 1  -12   11   61 o   90.662   8.2591   58.410   8.9100   52.752   16.928   60.578   10.479   87.155   14.333   94.169   8.2116 -7.014397 16.51828 
1 1 1  -12   11   62 o  184.449   6.0736  226.620   14.050  248.952   25.740  217.143   16.768  190.442   9.9737  178.455   6.9339 11.98700 12.14719 
1 1 1  -12   11   63 o  146.005   5.2285  145.400   10.303  147.430   15.318  143.723   13.923  146.888   7.6956  145.123   7.0799 1.764511 10.45691 
1 1 1  -12   11   64 o  179.100   5.0212  220.073   12.128  200.866   17.454  238.002   16.864  171.425   7.5136  186.774   6.6629 -15.34869 10.04237 
1 1 1  -12   11   65 o   75.114   7.2322   38.014   7.2510   48.734   11.158   30.178   9.5398   84.126   9.7878   66.103   10.650 18.02295 14.46438 
1 1 1  -12   11   66 o   84.277   6.7965   47.757   7.6456   61.169   11.810   38.082   10.031   94.268   9.2452   74.286   9.9646 19.98170 13.59294 
1 1 1  -12   11   67 o  129.194   7.0018  113.561   11.555  110.102   14.061  120.755   20.278  126.610   8.1953  131.777   11.355 -5.167290 14.00368 
1 1 1  -12   11   68 o   98.308   7.1248   67.210   9.3342   68.385   12.213   65.560   14.474   99.555   9.0527   97.061   11.005 2.494011 14.24962 
1 1 1  -12   11   69 o  113.249   6.4780   87.798   9.7877   83.853   12.653   93.676   15.445  110.280   8.4664  116.218   9.8069 -5.937881 12.95593 
1 1 1  -12   11   70 o   38.424   9.5257   9.4302   6.2658   5.9030   9.4308   12.218   8.3836   35.194   13.716   41.655   13.222 -6.460602 19.05149 
1 1 1  -12   11   71 o  166.186   5.0431  190.862   11.290  169.042   16.088  212.037   15.848  156.622   7.5798  175.751   6.6542 -19.12852 10.08624 
1 1 1  -12   11   72 o  170.857   5.0192  201.411   11.595  193.977   16.765  208.227   16.054  167.720   7.3764  173.995   6.8086 -6.275848 10.03837 
1 1 1  -12   11   73 o   84.180   6.5974   49.789   7.4669   46.690   11.049   52.395   10.131   81.567   9.9956   86.793   8.6133 -5.226295 13.19471 
1 1 1  -12   11   74 o  125.451   6.7217  111.552   10.511  107.301   18.780  113.492   12.684  122.815   11.284  128.088   7.3075 -5.272942 13.44343 
1 1 1  -12   11   75 o  174.133   6.9345  209.691   16.364   0.0000   0.0000  209.691   16.364  ?   ?   174.133   6.9345      ?      ? 
1 1 1  -12   11   76 o   92.710   7.9079   64.951   8.8832   53.181   15.774   70.418   10.750   84.933   13.705  100.487   7.8944 -15.55452 15.81590 
1 1 1  -12   11   77 o   94.518   7.5249   64.572   8.8411   62.499   15.847   65.509   10.653   92.330   12.665   96.707   8.1291 -4.377007 15.04971 
1 1 1  -12   11   78 o   97.714   7.1244   65.389   8.8278   76.934   16.006   60.342   10.583  102.866   11.482   92.562   8.4370 10.30383 14.24874 
1 1 1  -12   11   79 o   85.116   9.9778   54.344   11.177   47.600   14.631   63.795   17.321   78.346   14.308   91.886   13.910 -13.54010 19.95561 
1 1 1  -12   11   80 o   62.686   11.327   30.634   10.045   18.566   13.239   47.006   15.420   48.524   16.667   76.847   15.344 -28.32370 22.65491 
1 1 1  -12   11   81 o   38.392   11.021   6.7511   8.8984   2.6432   11.508   12.858   14.032   33.430   14.297   43.355   16.777 -9.924801 22.04282 
1 1 1  -12   11   82 o   45.989   11.931   15.985   9.5944   14.359   12.410   18.401   15.128   43.787   16.023   48.192   17.683 -4.405071 23.86255 
1 1 1  -12   11   83 o  100.110   8.8709   76.006   11.883   77.246   15.754   74.370   18.099  101.970   11.401   98.249   13.594 3.721306 17.74178 
1 1 1  -12   11   84 o   30.876   13.640  -0.1082   11.206  -0.1082   11.206   0.0000   0.0000   30.876   13.640  ?   ?       ?      ? 
1 1 1  -12   11   85 o   46.328   16.149   17.561   12.450   17.561   12.450   0.0000   0.0000   46.328   16.149  ?   ?       ?      ? 
1 1 1  -12   11   86 o   56.030   16.133   27.062   12.914   27.062   12.914   0.0000   0.0000   56.030   16.133  ?   ?       ?      ? 
1 1 1  -12   11   87 o   77.455   14.040   48.818   14.194   48.818   14.194   0.0000   0.0000   77.455   14.040  ?   ?       ?      ? 
1 1 1  -12   11   88 o   39.240   15.309   11.295   11.757   11.295   11.757   0.0000   0.0000   39.240   15.309  ?   ?       ?      ? 
1 1 1  -12   12    1 o  425.976   5.8767  1232.02   33.917  1262.97   48.074  1201.34   47.859  431.312   8.2251  420.640   8.3959 10.67215 11.75340 
1 1 1  -12   12    2 o  382.813   5.5391  994.856   28.729  1019.14   40.628  970.571   40.628  387.494   7.7372  378.132   7.9287 9.362610 11.07825 
1 1 1  -12   12    3 o  410.763   5.7583  1145.43   32.046  1176.01   45.459  1115.23   45.183  416.220   8.0597  405.306   8.2263 10.91403 11.51653 
1 1 1  -12   12    4 o  257.931   6.0658  457.909   19.883  433.579   34.298  470.224   24.401  252.601   10.020  263.261   6.8398 -10.65942 12.13160 
1 1 1  -12   12    5 o  234.859   5.9887  375.892   17.881  370.470   31.153  378.556   21.835  233.508   9.8451  236.211   6.8214 -2.703598 11.97740 
1 1 1  -12   12    6 o  546.847   6.9757  2029.34   51.648  1975.46   71.254  2088.99   74.971  539.226   9.7512  554.469   9.9778 -15.24316 13.95140 
1 1 1  -12   12    7 o  244.210   5.4835  395.245   17.235  375.820   21.043  434.837   30.042  235.366   6.5975  253.053   8.7606 -17.68706 10.96703 
1 1 1  -12   12    8 o  261.270   5.6824  468.034   19.169  479.291   23.898  447.718   32.103  265.797   6.6347  256.743   9.2272 9.054535 11.36484 
1 1 1  -12   12    9 o  389.087   6.7073  1020.32   33.408  1004.18   40.846  1052.95   58.064  384.633   7.8364  393.540   10.888 -8.907379 13.41453 
1 1 1  -12   12   10 o  373.089   6.5757  947.595   31.551  952.204   38.960  938.813   53.779  374.558   7.6758  371.619   10.679 2.938599 13.15134 
1 1 1  -12   12   11 o  416.236   6.9685  1166.57   37.119  1145.46   45.344  1209.44   64.625  410.766   8.1460  421.705   11.309 -10.93845 13.93706 
1 1 1  -12   12   12 o  174.957   5.3351  208.074   12.163  208.935   15.254  206.571   20.155  175.496   6.4140  174.419   8.5271 1.076477 10.67012 
1 1 1  -12   12   13 o  360.195   6.2813  880.115   30.660  880.115   30.660   0.0000   0.0000  360.195   6.2813  ?   ?       ?      ? 
1 1 1  -12   12   14 o  449.215   7.0401  1369.34   42.856  1369.34   42.856   0.0000   0.0000  449.215   7.0401  ?   ?       ?      ? 
1 1 1  -12   12   15 o  211.343   5.0656  299.438   13.052  294.809   15.345  311.552   24.824  208.496   5.4310  214.191   8.5525 -5.695251 10.13119 
1 1 1  -12   12   16 o  246.024   5.2674  414.731   15.701  419.667   18.511  402.076   29.641  248.755   5.4912  243.293   8.9906 5.461502 10.53488 
1 1 1  -12   12   17 o  238.242   5.1534  376.261   14.865  365.771   17.351  405.210   28.824  232.230   5.5134  244.253   8.7081 -12.02347 10.30672 
1 1 1  -12   12   18 o  194.024   5.1381  259.921   12.176  265.986   14.474  245.233   22.523  198.038   5.3932  190.010   8.7472 8.028503 10.27621 
1 1 1  -12   12   19 o  478.396   7.2199  1551.44   40.952  1546.54   47.510  1565.60   80.777  477.328   7.3449  479.464   12.432 -2.135742 14.43981 
1 1 1  -12   12   20 o  215.963   5.1158  313.476   13.493  309.505   15.891  323.734   25.544  213.617   5.4896  218.309   8.6343 -4.691254 10.23167 
1 1 1  -12   12   21 o  116.446   5.3714   90.777   7.9668   88.406   9.6690   95.791   14.059  114.148   6.2507  118.744   8.7370 -4.595901 10.74274 
1 1 1  -12   12   22 o  557.815   8.0273  2073.10   52.386  2030.56   60.115  2207.37  106.793  546.795   8.1129  568.834   13.854 -22.03925 16.05460 
1 1 1  -12   12   23 o  149.217   5.2177  154.650   9.7222  160.606   11.792  142.003   17.181  153.869   5.6551  144.566   8.7702 9.303604 10.43535 
1 1 1  -12   12   24 o  132.232   5.1858  117.274   8.7106  114.679   10.554  122.818   15.426  130.009   5.9906  134.454   8.4666 -4.444824 10.37158 
1 1 1  -12   12   25 o  370.490   6.2038  932.263   27.612  931.645   32.287  933.946   53.272  370.514   6.4305  370.466   10.611 0.4791260E-01 12.40762 
1 1 1  -12   12   26 o  225.252   5.6468  344.561   16.848  344.224   21.646  345.077   26.833  225.172   7.0940  225.331   8.7876 -0.1595306 11.29369 
1 1 1  -12   12   27 o  170.167   5.5184  197.865   12.479  203.058   16.254  190.411   19.475  172.946   6.9352  167.387   8.5856 5.559174 11.03672 
1 1 1  -12   12   28 o  455.247   8.5763  1411.97   52.888  1444.42   76.098  1381.65   73.557  460.287   12.200  450.207   12.057 10.08084 17.15251 
1 1 1  -12   12   29 o  151.482   5.4198  162.171   10.269  174.074   12.603  138.657   17.713  160.169   5.8063  142.796   9.1534 17.37286 10.83969 
1 1 1  -12   12   30 o  506.878   7.4691  1625.84   43.216  1530.17   48.648  1983.88   94.115  474.620   7.5637  539.135   12.882 -64.51492 14.93826 
1 1 1  -12   12   31 o  109.647   5.8381   84.506   8.1565   90.997   10.188   72.917   13.613  115.776   6.4935  103.517   9.7040 12.25951 11.67617 
1 1 1  -12   12   32 o  162.342   6.8347  178.964   15.036  178.964   15.036   0.0000   0.0000  162.342   6.8347  ?   ?       ?      ? 
1 1 1  -12   12   33 o   93.387   7.3246   60.984   8.7459   64.678   10.907   54.334   14.637   97.541   8.2517   89.233   12.104 8.308151 14.64926 
1 1 1  -12   12   34 o  273.927   4.8921  508.686   18.139  529.260   26.437  490.384   24.934  279.145   6.9887  268.710   6.8474 10.43442 9.784131 
1 1 1  -12   12   35 f  141.262   4.8626  133.997   9.2553  153.421   13.960  118.764   12.363  150.294   6.8544  132.231   6.8992 18.06247 9.725294 
1 1 1  -12   12   36 o  263.772   4.8375  471.738   17.272  490.683   25.158  454.848   23.756  268.766   6.9076  258.778   6.7742 9.987579 9.674975 
1 1 1  -12   12   37 o  188.434   4.6836  240.745   11.938  247.813   17.513  234.611   16.316  191.003   6.7662  185.865   6.4780 5.137695 9.367290 
1 1 1  -12   12   38 o  264.857   4.8904  476.475   17.538  479.580   25.355  473.628   24.284  265.671   7.0428  264.043   6.7869 1.627380 9.780720 
1 1 1  -12   12   39 o  310.678   5.1449  656.161   21.651  650.951   31.010  661.117   30.243  309.458   7.3946  311.897   7.1553 -2.438812 10.28973 
1 1 1  -12   12   40 o  195.846   4.7647  260.949   12.617  254.732   18.342  266.533   17.383  193.608   6.9909  198.083   6.4758 -4.475403 9.529408 
1 1 1  -12   12   41 o  156.501   4.8548  166.059   10.263  171.027   15.226  161.923   13.893  158.626   7.0834  154.376   6.6410 4.250549 9.709660 
1 1 1  -12   12   42 o   78.852   6.7250   43.714   6.9548   35.028   10.542   50.407   9.2542   71.628   10.861   86.077   7.9336 -14.44895 13.45005 
1 1 1  -12   12   43 o  143.947   6.8333  139.866   13.163  149.911   20.569  132.898   17.130  148.226   10.240  139.669   9.0508 8.557709 13.66662 
1 1 1  -12   12   44 o   80.843   8.7482   43.307   9.3836   51.968   15.294   38.078   11.883   87.075   12.961   74.611   11.753 12.46400 17.49631 
1 1 1  -12   12   45 o   76.441   6.8621   40.058   7.0410   38.248   10.577   41.498   9.4357   74.843   10.428   78.039   8.9224 -3.195572 13.72426 
1 1 1  -12   12   46 o  313.612   7.4571  669.126   31.692  669.126   31.692   0.0000   0.0000  313.612   7.4571  ?   ?       ?      ? 
1 1 1  -12   12   47 o  195.082   4.8474  258.624   12.796  261.573   18.656  256.005   17.583  196.115   7.0199  194.050   6.6864 2.065186 9.694721 
1 1 1  -12   12   48 o  160.070   4.9705  173.156   10.743  187.776   16.049  161.288   14.460  166.143   7.1282  153.997   6.9291 12.14680 9.941020 
1 1 1  -12   12   49 o  106.232   7.5927   76.512   10.434   74.989   12.895   79.397   17.754  104.854   9.0753  107.609   12.175 -2.754272 15.18532 
1 1 1  -12   12   50 o  240.192   6.3239  402.350   19.442  422.749   24.202  365.237   32.644  249.253   7.1652  231.132   10.422 18.12143 12.64774 
1 1 1  -12   12   51 o  240.480   4.9259  393.031   16.031  401.563   23.381  385.461   22.023  242.920   7.1025  238.039   6.8273 4.881287 9.851792 
1 1 1  -12   12   52 o  149.708   6.3888  155.967   11.728  145.765   21.477  160.302   14.000  145.911   10.862  153.505   6.7301 -7.593460 12.77763 
1 1 1  -12   12   53 o   78.782   9.7696   51.642   8.5035   28.623   16.020   60.673   10.034   63.204   17.894   94.360   7.8468 -31.15609 19.53918 
1 1 1  -12   12   54 o   86.330   6.6810   50.932   7.6623   50.945   12.090   50.923   9.9058   86.266   10.342   86.394   8.4610 -0.1278000 13.36193 
1 1 1  -12   12   55 o  171.931   4.9952  202.288   11.570  189.951   16.979  212.984   15.810  166.957   7.5043  176.905   6.5949 -9.947678 9.990374 
1 1 1  -12   12   56 o  262.130   5.0451  467.405   17.892  480.119   26.189  456.276   24.502  265.439   7.2807  258.822   6.9859 6.616669 10.09016 
1 1 1  -12   12   57 o  212.094   4.9799  307.270   14.272  294.050   20.699  319.251   19.705  207.680   7.3547  216.507   6.7161 -8.826965 9.959785 
1 1 1  -12   12   58 o  102.388   6.0144   70.255   8.2577   82.140   12.853   61.900   10.776  109.602   8.6536   95.175   8.3552 14.42707 12.02889 
1 1 1  -12   12   59 o   43.681   10.827   10.603   7.0586   15.963   14.247   8.8598   8.1262   49.774   17.279   37.588   13.050 12.18624 21.65330 
1 1 1  -12   12   60 o  155.623   6.4974  169.818   12.363  157.173   22.667  175.173   14.750  150.985   11.079  160.262   6.7919 -9.276657 12.99475 
1 1 1  -12   12   61 o   89.196   6.6380   55.552   7.8310   49.805   12.103   59.689   10.270   85.011   10.506   93.382   8.1160 -8.371124 13.27608 
1 1 1  -12   12   62 o  206.278   6.0927  283.460   15.665  313.586   29.056  271.116   18.599  213.320   10.051  199.237   6.8889 14.08328 12.18533 
1 1 1  -12   12   63 o  209.795   7.2611  303.925   20.632  318.190   29.421  290.123   28.940  214.698   10.112  204.892   10.423 9.805527 14.52215 
1 1 1  -12   12   64 o  130.636   7.0438  119.590   11.817  123.489   14.696  112.459   19.877  134.126   8.0854  127.147   11.536 6.978714 14.08756 
1 1 1  -12   12   65 o   59.275   10.875   26.536   8.6660   28.821   10.793   22.390   14.538   62.980   13.074   55.569   17.381 7.411037 21.74965 
1 1 1  -12   12   66 f  141.337   6.0172  132.165   11.276  111.169   14.269  167.081   18.401  127.052   8.2879  155.622   8.7256 -28.57061 12.03439 
1 1 1  -12   12   67 o  166.622   5.8990  189.368   13.025  181.616   16.609  201.751   20.991  162.515   7.5415  170.729   9.0729 -8.213257 11.79790 
1 1 1  -12   12   68 o  114.545   5.6296   91.103   8.6595   85.220   12.882   95.952   11.696  110.989   8.5651  118.101   7.3081 -7.112389 11.25922 
1 1 1  -12   12   69 o  117.872   5.4899   96.689   8.6919   87.765   12.761  104.412   11.871  112.582   8.3645  123.162   7.1129 -10.58010 10.97985 
1 1 1  -12   12   70 o  138.491   5.2206  133.450   9.7060  115.056   13.916  150.872   13.544  128.914   7.9660  148.068   6.7500 -19.15344 10.44120 
1 1 1  -12   12   71 o   55.715   8.9618   23.307   6.5798   21.215   10.001   24.905   8.7373   53.116   13.777   58.314   11.465 -5.197594 17.92369 
1 1 1  -12   12   72 o   73.284   7.7845   40.299   7.1590   30.660   10.969   47.452   9.4491   64.079   13.074   82.488   8.4531 -18.40936 15.56899 
1 1 1  -12   12   73 o   44.048   12.996   14.463   8.2889   0.0000   0.0000   14.463   8.2889  ?   ?    44.048   12.996      ?      ? 
1 1 1  -12   12   74 o  115.265   7.1016   97.238   10.043   87.137   18.017  101.791   12.096  109.550   12.137  120.979   7.3781 -11.42823 14.20326 
1 1 1  -12   12   75 o   53.973   10.105   23.837   7.3886   17.268   13.392   26.711   8.8589   47.966   16.747   59.981   11.314 -12.01535 20.21063 
1 1 1  -12   12   76 o   80.223   7.9582   43.821   8.0784   55.302   14.880   39.022   9.6195   86.467   12.699   73.979   9.5955 12.48894 15.91633 
1 1 1  -12   12   77 o   39.075   10.974   7.4423   9.1922   14.560   12.429  -1.1510   13.657   44.530   16.075   33.619   14.944 10.91106 21.94858 
1 1 1  -12   12   78 o  121.497   8.2829  108.726   13.622  106.058   18.747  111.710   19.827  120.082   11.521  122.913   11.904 -2.831078 16.56580 
1 1 1  -12   12   79 o   52.019   11.542   22.151   9.8288   31.464   13.280   10.872   14.616   61.985   15.772   42.053   16.857 19.93244 23.08492 
1 1 1  -12   12   80 o   59.074   11.959   28.527   9.9431   23.676   12.793   35.928   15.802   53.388   16.237   64.760   17.563 -11.37196 23.91879 
1 1 1  -12   12   81 o   39.729   10.964   9.9118   8.9307   15.102   11.503   2.0364   14.169   44.048   15.512   35.409   15.500 8.639072 21.92866 
1 1 1  -12   12   82 o   32.174   14.055   1.2237   11.601   1.2237   11.601   0.0000   0.0000   32.174   14.055  ?   ?       ?      ? 
1 1 1  -12   12   83 o   62.091   15.894   32.603   13.430   32.603   13.430   0.0000   0.0000   62.091   15.894  ?   ?       ?      ? 
1 1 1  -12   12   84 o   38.940   15.418   10.102   12.081   10.102   12.081   0.0000   0.0000   38.940   15.418  ?   ?       ?      ? 
1 1 1  -12   12   85 o   57.933   16.315   29.486   13.353   29.486   13.353   0.0000   0.0000   57.933   16.315  ?   ?       ?      ? 
1 1 1  -12   12   86 o   56.945   16.503   29.130   13.474   29.130   13.474   0.0000   0.0000   56.945   16.503  ?   ?       ?      ? 
1 1 1  -12   13    1 o  195.377   4.6536  256.611   12.262  231.601   16.425  288.099   18.430  184.726   6.5613  206.027   6.6010 -21.30110 9.307242 
1 1 1  -12   13    2 o  352.992   5.3820  846.391   25.732  853.956   35.931  838.426   36.869  354.626   7.4768  351.359   7.7434 3.267120 10.76395 
1 1 1  -12   13    3 o  645.492   7.8813  2836.64   68.937  2875.56   97.749  2798.13   97.236  649.910   11.099  641.074   11.193 8.835999 15.76269 
1 1 1  -12   13    4 o  219.301   6.8369  326.448   20.318   0.0000   0.0000  326.448   20.318  ?   ?   219.301   6.8369      ?      ? 
1 1 1  -12   13    5 o  323.368   7.4329  710.016   32.572   0.0000   0.0000  710.016   32.572  ?   ?   323.368   7.4329      ?      ? 
1 1 1  -12   13    6 o  471.275   6.2958  1508.94   40.194  1565.14   57.379  1454.79   56.322  479.901   8.8230  462.649   8.9834 17.25259 12.59158 
1 1 1  -12   13    7 o  315.671   5.1411  675.957   21.975  662.555   30.362  690.700   31.845  312.396   7.1720  318.945   7.3680 -6.548706 10.28226 
1 1 1  -12   13    8 o  228.928   6.1388  349.539   17.096  341.482   20.037  371.104   32.782  224.308   6.5918  233.548   10.358 -9.239792 12.27762 
1 1 1  -12   13    9 o  621.312   15.708  2640.56  132.255   0.0000   0.0000  2640.56  132.255  ?   ?   621.312   15.708      ?      ? 
1 1 1  -12   13   10 o  337.847   6.7579  789.386   28.571  812.060   34.618  740.950   50.596  345.826   7.3869  329.868   11.319 15.95810 13.51589 
1 1 1  -12   13   11 o  193.343   5.1129  251.762   11.936  249.347   13.967  258.302   22.982  191.726   5.3757  194.960   8.6989 -3.234756 10.22587 
1 1 1  -12   13   12 o  333.233   5.8909  744.140   23.261  733.456   26.904  775.775   46.296  328.775   6.0386  337.690   10.117 -8.914703 11.78189 
1 1 1  -12   13   13 o  288.148   5.9872  560.125   22.460  549.877   27.982  578.684   37.656  284.579   7.2559  291.718   9.5256 -7.139069 11.97435 
1 1 1  -12   13   14 o   98.624   5.5268   63.111   6.8078   58.884   8.0562   73.668   12.731   93.147   6.3823  104.101   9.0249 -10.95396 11.05362 
1 1 1  -12   13   15 o  173.828   5.1573  205.069   10.893  204.934   12.826  205.419   20.638  173.808   5.4454  173.848   8.7602 -0.3944397E-01 10.31467 
1 1 1  -12   13   16 o  348.213   6.0266  818.497   24.955  812.569   28.967  835.557   49.144  346.030   6.1775  350.396   10.350 -4.365601 12.05311 
1 1 1  -12   13   17 o  192.190   5.2447  259.311   12.246  271.068   14.598  231.388   22.498  199.894   5.3892  184.486   8.9990 15.40837 10.48931 
1 1 1  -12   13   18 o  152.172   5.0765  153.817   9.5730  149.031   11.341  165.678   17.853  148.207   5.6469  156.136   8.4378 -7.929138 10.15301 
1 1 1  -12   13   19 o  172.148   5.1168  201.781   10.855  202.536   12.915  199.964   20.035  172.779   5.5158  171.518   8.6198 1.261673 10.23353 
1 1 1  -12   13   20 o  276.297   5.4669  512.279   18.224  504.888   21.293  532.521   35.239  272.776   5.7603  279.818   9.2933 -7.041382 10.93373 
1 1 1  -12   13   21 o  365.671   6.1770  903.994   26.961  898.380   31.369  919.864   52.742  363.801   6.3628  367.541   10.589 -3.740784 12.35391 
1 1 1  -12   13   22 o  182.651   6.6491  227.285   16.273  224.669   24.874  229.242   21.517  181.675   10.103  183.627   8.6469 -1.952682 13.29829 
1 1 1  -12   13   23 o  264.934   9.2906  477.480   33.355   0.0000   0.0000  477.480   33.355  ?   ?   264.934   9.2906      ?      ? 
1 1 1  -12   13   24 o  240.151   5.4020  398.197   15.865  406.997   18.868  376.966   29.307  244.900   5.6854  235.403   9.1872 9.496643 10.80408 
1 1 1  -12   13   25 o  289.320   5.6229  567.074   19.697  564.851   23.122  572.953   37.608  288.486   5.9146  290.154   9.5648 -1.667389 11.24573 
1 1 1  -12   13   26 o  385.695   6.4160  1017.30   29.686  1023.44   34.746  1000.68   57.125  388.230   6.6043  383.159   11.002 5.070740 12.83192 
1 1 1  -12   13   27 o  193.697   5.2479  254.525   12.558  253.962   14.945  255.879   23.161  193.442   5.7011  193.951   8.8123 -0.5084839 10.49572 
1 1 1  -12   13   28 o  286.983   5.5247  534.684   18.962  508.556   21.878  613.571   38.016  273.718   5.8983  300.247   9.3434 -26.52921 11.04941 
1 1 1  -12   13   29 o  131.231   6.0954  116.917   10.840  116.917   10.840   0.0000   0.0000  131.231   6.0954  ?   ?       ?      ? 
1 1 1  -12   13   30 o  204.846   5.6835  284.818   15.777  284.818   15.777   0.0000   0.0000  204.846   5.6835  ?   ?       ?      ? 
1 1 1  -12   13   31 o  291.488   5.7630  592.262   20.461  612.194   24.351  544.393   37.737  300.286   5.9842  282.689   9.8509 17.59695 11.52606 
1 1 1  -12   13   32 o  295.164   5.7093  594.216   20.501  596.409   24.183  588.614   38.647  296.378   6.0213  293.950   9.7020 2.428009 11.41859 
1 1 1  -12   13   33 o  193.001   5.2810  255.388   12.681  258.797   15.233  247.689   22.890  195.245   5.7573  190.757   8.8549 4.489075 10.56194 
1 1 1  -12   13   34 o  279.176   5.5307  517.892   18.726  503.484   21.881  557.320   36.196  272.305   5.9297  286.047   9.3378 -13.74133 11.06148 
1 1 1  -12   13   35 o  102.092   6.0929   73.553   7.9061   79.516   9.8660   62.851   13.217  108.179   6.7300   96.006   10.159 12.17332 12.18576 
1 1 1  -12   13   36 o  165.465   4.7727  185.287   10.678  198.077   15.746  174.395   14.530  170.727   6.8057  160.204   6.6929 10.52310 9.545309 
1 1 1  -12   13   37 o   42.600   9.6245   11.360   6.6028   5.4590   9.1367   17.810   9.5528   35.043   13.544   50.156   13.678 -15.11284 19.24894 
1 1 1  -12   13   38 o  208.725   5.6104  294.544   15.379  288.926   19.395  304.060   25.240  206.165   6.9422  211.286   8.8154 -5.121353 11.22072 
1 1 1  -12   13   39 o  248.125   5.8517  424.735   19.008  442.599   24.249  396.267   30.612  255.148   7.0133  241.103   9.3691 14.04416 11.70331 
1 1 1  -12   13   40 o  222.904   4.8653  335.518   14.647  369.440   21.789  307.556   19.783  233.111   6.8976  212.696   6.8635 20.41470 9.730607 
1 1 1  -12   13   41 o  171.742   6.0961  198.982   12.871  205.600   24.089  196.337   15.228  173.530   10.244  169.954   6.6118 3.576126 12.19217 
1 1 1  -12   13   42 o  127.478   5.2885  110.303   9.0648  112.687   13.767  108.478   12.044  128.661   7.8960  126.296   7.0374 2.365112 10.57693 
1 1 1  -12   13   43 o  135.426   5.1614  122.642   9.3906  145.053   14.392  106.028   12.392  146.016   7.2736  124.835   7.3250 21.18113 10.32286 
1 1 1  -12   13   44 o   82.123   7.4356   50.359   7.3960   32.272   11.347   63.718   9.7520   67.485   12.878   96.761   7.4372 -29.27636 14.87119 
1 1 1  -12   13   45 o  179.575   6.7756  219.314   16.488   0.0000   0.0000  219.314   16.488  ?   ?   179.575   6.7756      ?      ? 
1 1 1  -12   13   46 o  255.011   5.0516  443.134   17.429  428.538   25.107  456.709   24.213  250.915   7.3840  259.107   6.8958 -8.191483 10.10326 
1 1 1  -12   13   47 o  171.419   6.2446  200.045   13.827  199.135   17.121  201.751   23.446  171.032   7.3871  171.806   10.070 -0.7745361 12.48922 
1 1 1  -12   13   48 o   82.208   9.9188   57.596   8.8249   29.401   16.687   68.544   10.398   64.097   18.304  100.318   7.6487 -36.22110 19.83751 
1 1 1  -12   13   49 f  142.089   6.5117  140.338   11.292  132.091   20.879  143.747   13.424  138.836   11.098  145.342   6.8157 -6.506531 13.02346 
1 1 1  -12   13   50 o  105.645   7.5636   76.332   9.4504   76.711   18.667   76.201   10.958  105.540   13.052  105.751   7.6469 -0.2108231 15.12717 
1 1 1  -12   13   51 o  249.609   4.9807  424.673   16.815  417.216   24.432  431.383   23.176  247.482   7.2851  251.736   6.7938 -4.254089 9.961390 
1 1 1  -12   13   52 o  156.357   5.0791  166.413   10.706  167.948   16.010  165.172   14.398  156.967   7.5269  155.748   6.8218 1.219376 10.15827 
1 1 1  -12   13   53 f   78.209   7.0579   41.538   7.3849   44.162   11.534   39.716   9.6139   80.227   10.609   76.190   9.3114 4.036179 14.11570 
1 1 1  -12   13   54 o  128.646   7.0822  112.807   12.347   0.0000   0.0000  112.807   12.347  ?   ?   128.646   7.0822      ?      ? 
1 1 1  -12   13   55 o  166.206   5.0691  188.947   11.347  183.018   16.858  193.860   15.344  163.748   7.5970  168.664   6.7135 -4.915497 10.13825 
1 1 1  -12   13   56 o  198.211   7.2790  268.136   19.552  268.136   19.552   0.0000   0.0000  198.211   7.2790  ?   ?       ?      ? 
1 1 1  -12   13   57 o  162.291   6.3105  182.454   12.629  175.916   23.084  185.247   15.087  159.790   10.660  164.792   6.7559 -5.002182 12.62093 
1 1 1  -12   13   58 f  140.479   5.2619  134.375   9.9446  139.131   15.104  130.736   13.213  142.601   7.8161  138.357   7.0470 4.243500 10.52379 
1 1 1  -12   13   59 o   52.923   9.4523   19.917   6.6382   22.138   10.760   18.553   8.4345   55.171   14.281   50.676   12.387 4.494690 18.90453 
1 1 1  -12   13   60 o  123.201   5.4445  104.123   9.0124  102.926   13.619  105.055   12.021  122.478   8.2053  123.924   7.1583 -1.445580 10.88893 
1 1 1  -12   13   61 o   58.511   8.7626   22.792   6.8938   36.963   11.045   13.747   8.8238   72.937   11.174   44.085   13.501 28.85223 17.52528 
1 1 1  -12   13   62 o  123.411   7.0374  107.367   11.191  112.221   14.023   98.853   18.571  127.770   8.0990  119.052   11.511 8.718033 14.07473 
1 1 1  -12   13   63 o  129.260   8.0052  114.959   14.022  114.959   14.022   0.0000   0.0000  129.260   8.0052  ?   ?       ?      ? 
1 1 1  -12   13   64 o   75.155   8.1636   39.214   8.2451   36.712   10.856   42.626   12.675   72.455   11.056   77.855   12.014 -5.399986 16.32722 
1 1 1  -12   13   65 o   53.644   9.0648   21.701   6.5871   15.824   9.8232   26.503   8.8793   46.704   14.234   60.584   11.229 -13.88020 18.12968 
1 1 1  -12   13   66 o   52.091   9.1299   20.078   6.3834   19.763   9.6305   20.325   8.5253   51.604   13.585   52.578   12.201 -0.9744873 18.25976 
1 1 1  -12   13   67 o   80.545   6.5994   45.274   7.1521   45.126   10.755   45.391   9.5763   80.285   9.8856   80.804   8.7454 -0.5192032 13.19878 
1 1 1  -12   13   68 o   68.962   9.4967   35.973   7.9289   32.286   14.403   37.576   9.4975   64.687   16.406   73.238   9.5695 -8.551819 18.99332 
1 1 1  -12   13   69 o   92.701   9.6515   63.401   11.548   47.972   15.974   80.292   16.714   79.394   15.402  106.007   11.635 -26.61216 19.30304 
1 1 1  -12   13   70 o   87.949   13.489   56.583   16.076   0.0000   0.0000   56.583   16.076  ?   ?    87.949   13.489      ?      ? 
1 1 1  -12   13   71 o   95.232   8.3352   63.478   10.757   0.0000   0.0000   63.478   10.757  ?   ?    95.232   8.3352      ?      ? 
1 1 1  -12   13   72 o   64.581   9.9004   31.393   7.8015   32.107   14.786   31.117   9.1838   63.161   16.930   66.001   10.268 -2.839169 19.80081 
1 1 1  -12   13   73 o  105.117   7.5498   83.829   9.6080   68.682   17.069   90.853   11.624   96.213   13.092  114.021   7.5232 -17.80763 15.09955 
1 1 1  -12   13   74 o   70.812   9.7816   42.531   8.2682   28.418   14.898   48.812   9.9393   58.648   17.452   82.977   8.8392 -24.32950 19.56323 
1 1 1  -12   13   75 o   68.573   11.227   37.660   10.388   26.994   14.127   50.218   15.329   57.125   16.994   80.021   14.677 -22.89536 22.45453 
1 1 1  -12   13   76 o   37.378   10.629   1.5804   9.1382 -10.6742   12.056   18.131   14.010   26.723   12.632   48.033   17.097 -21.30956 21.25731 
1 1 1  -12   13   77 o   66.316   11.331   37.257   10.369   47.380   14.174   25.599   15.209   77.746   13.966   54.885   17.848 22.86153 22.66285 
1 1 1  -12   13   78 f   63.394   11.666   34.132   10.191   37.927   13.789   29.564   15.129   68.230   15.291   58.558   17.624 9.671989 23.33290 
1 1 1  -12   13   79 o   45.957   11.901   16.348   9.5485   14.559   12.382   18.974   14.999   43.659   16.001   48.255   17.622 -4.595638 23.80268 
1 1 1  -12   13   80 o   67.077   11.436   38.982   10.383   45.203   13.791   30.841   15.776   75.231   14.044   58.923   18.053 16.30870 22.87256 
1 1 1  -12   13   81 o   60.582   16.081   31.339   13.422   31.339   13.422   0.0000   0.0000   60.582   16.081  ?   ?       ?      ? 
1 1 1  -12   13   82 o   42.857   15.993   14.424   12.470   14.424   12.470   0.0000   0.0000   42.857   15.993  ?   ?       ?      ? 
1 1 1  -12   13   83 o   42.678   16.032   14.561   12.571   14.561   12.571   0.0000   0.0000   42.678   16.032  ?   ?       ?      ? 
1 1 1  -12   13   84 o   57.911   16.734   30.479   13.871   30.479   13.871   0.0000   0.0000   57.911   16.734  ?   ?       ?      ? 
1 1 1  -12   13   85 o   38.976   15.710   11.078   12.769   11.078   12.769   0.0000   0.0000   38.976   15.710  ?   ?       ?      ? 
1 1 1  -12   14    1 o   80.537   6.1382   44.299   6.6161   45.376   8.7577   42.867   10.098   81.708   7.9094   79.366   9.3889 2.341972 12.27640 
1 1 1  -12   14    2 o  348.989   5.3740  827.589   25.393  874.399   36.164  782.067   35.663  358.744   7.4389  339.234   7.7577 19.50943 10.74800 
1 1 1  -12   14    3 o  218.256   6.2801  335.250   16.603  350.566   19.760  298.468   30.622  227.231   6.4171  209.280   10.797 17.95129 12.56030 
1 1 1  -12   14    4 o  228.186   6.1270  345.993   16.979  336.276   19.857  372.422   32.748  222.541   6.5844  233.832   10.335 -11.29132 12.25406 
1 1 1  -12   14    5 o  341.564   6.7771  791.547   28.720  787.834   34.269  800.309   52.642  340.529   7.4263  342.599   11.339 -2.070251 13.55418 
1 1 1  -12   14    6 o  422.171   5.9263  1211.94   33.897  1241.54   47.951  1182.39   47.924  427.341   8.2802  417.002   8.4806 10.33841 11.85259 
1 1 1  -12   14    7 o  350.442   5.4029  834.350   25.636  881.753   36.571  788.550   35.947  360.247   7.4913  340.638   7.7874 19.60864 10.80571 
1 1 1  -12   14    8 o  236.114   4.7897  378.890   15.282  415.985   21.786  342.961   21.441  247.521   6.4951  224.708   7.0411 22.81393 9.579352 
1 1 1  -12   14    9 o  222.281   4.7407  335.161   14.263  328.630   19.616  342.486   20.774  219.996   6.5798  224.567   6.8265 -4.571594 9.481309 
1 1 1  -12   14   10 o  341.223   5.3288  791.419   24.631  804.388   34.531  777.985   35.143  344.086   7.4056  338.360   7.6644 5.726685 10.65768 
1 1 1  -12   14   11 o   70.588   7.5843   36.482   6.2146   39.152   7.4110   30.156   11.407   75.917   7.2036   65.258   13.349 10.65966 15.16864 
1 1 1  -12   14   12 o  135.216   5.2768  121.874   8.7317  118.872   10.269  129.708   16.589  132.345   5.7260  138.087   8.8652 -5.742416 10.55361 
1 1 1  -12   14   13 o  209.107   5.3210  306.271   13.416  318.150   15.889  276.774   25.038  216.530   5.4151  201.683   9.1613 14.84761 10.64197 
1 1 1  -12   14   14 o  335.211   5.9556  755.753   23.696  746.955   27.451  781.479   46.940  331.711   6.1068  338.712   10.227 -7.001129 11.91120 
1 1 1  -12   14   15 o  262.234   5.4244  456.516   17.005  444.859   19.712  490.427   33.621  256.021   5.6816  268.448   9.2421 -12.42728 10.84878 
1 1 1  -12   14   16 o  272.568   5.4948  498.876   17.976  492.007   20.942  518.105   35.039  269.239   5.7397  275.896   9.3717 -6.656525 10.98967 
1 1 1  -12   14   17 o   92.980   6.4418   59.140   7.8312   60.032   9.8959   57.644   12.810   93.979   7.7704   91.982   10.277 1.997169 12.88361 
1 1 1  -12   14   18 o  269.840   9.4561  495.706   34.578   0.0000   0.0000  495.706   34.578  ?   ?   269.840   9.4561      ?      ? 
1 1 1  -12   14   19 o  357.926   6.6025  846.823   30.436  795.408   37.112  952.448   53.193  342.035   8.0068  373.817   10.501 -31.78189 13.20491 
1 1 1  -12   14   20 o  270.646   5.5725  498.083   18.202  498.186   21.348  497.807   34.838  270.906   5.8150  270.386   9.5078 0.5199890 11.14510 
1 1 1  -12   14   21 o  170.785   5.7239  193.073   13.003  172.544   16.572  225.961   20.976  159.318   7.6760  182.252   8.4930 -22.93439 11.44776 
1 1 1  -12   14   22 o  380.076   6.3673  977.743   28.882  971.643   33.605  994.989   56.503  378.226   6.5564  381.926   10.917 -3.699524 12.73459 
1 1 1  -12   14   23 o  383.473   6.3762  983.888   29.060  965.893   33.638  1036.84   57.703  377.094   6.5825  389.853   10.922 -12.75879 12.75247 
1 1 1  -12   14   24 o  271.208   5.5779  501.383   18.309  502.865   21.524  497.504   34.820  272.156   5.8361  270.259   9.5075 1.897491 11.15589 
1 1 1  -12   14   25 o  211.242   5.2692  297.972   13.569  291.287   15.927  315.671   25.915  207.142   5.6739  215.341   8.8807 -8.198273 10.53845 
1 1 1  -12   14   26 o  103.098   6.7295   72.217   9.4019   72.217   9.4019   0.0000   0.0000  103.098   6.7295  ?   ?       ?      ? 
1 1 1  -12   14   27 o  218.400   5.6654  323.830   16.767  323.830   16.767   0.0000   0.0000  218.400   5.6654  ?   ?       ?      ? 
1 1 1  -12   14   28 o  151.219   5.5680  153.774   11.071  148.517   13.943  162.743   18.213  147.826   6.9604  154.613   8.6929 -6.786484 11.13609 
1 1 1  -12   14   29 o  165.232   5.6686  188.420   12.298  197.610   15.790  174.248   19.608  170.521   6.8330  159.944   9.0466 10.57671 11.33714 
1 1 1  -12   14   30 o  178.236   5.5594  213.496   13.023  205.804   16.381  226.705   21.466  174.006   6.9471  182.467   8.6813 -8.460754 11.11876 
1 1 1  -12   14   31 o  206.604   5.5976  287.856   15.114  280.949   18.905  300.090   25.161  203.307   6.8620  209.900   8.8457 -6.592819 11.19519 
1 1 1  -12   14   32 o  255.701   5.8570  444.036   19.455  441.390   24.243  448.820   32.605  254.802   7.0211  256.599   9.3767 -1.797394 11.71398 
1 1 1  -12   14   33 o  215.072   5.2639  294.519   13.869  270.507   16.145  362.155   27.096  199.559   5.9701  230.584   8.6714 -31.02539 10.52785 
1 1 1  -12   14   34 o  193.472   5.5162  264.164   13.140  279.119   15.859  231.409   23.470  202.722   5.7729  184.222   9.4014 18.49937 11.03232 
1 1 1  -12   14   35 o  171.540   5.3695  198.372   11.518  195.481   13.794  205.031   20.933  169.630   6.0008  173.450   8.9060 -3.819885 10.73904 
1 1 1  -12   14   36 o  165.846   5.3400  178.969   11.141  166.425   13.256  209.146   20.560  156.494   6.2506  175.199   8.6598 -18.70490 10.67997 
1 1 1  -12   14   37 o  193.217   5.4286  254.132   13.081  254.183   15.690  254.015   23.692  193.420   5.9859  193.014   9.0581 0.4051361 10.85725 
1 1 1  -12   14   38 o  171.736   5.9680  202.210   13.668  208.602   17.973  193.442   21.049  175.068   7.5758  168.404   9.2237 6.663528 11.93609 
1 1 1  -12   14   39 o  134.352   5.6740  112.659   9.8545   89.736   11.950  161.371   17.421  114.810   7.6810  153.894   8.3534 -39.08382 11.34801 
1 1 1  -12   14   40 o  208.366   5.9524  300.235   16.339  316.683   21.131  275.778   25.766  215.727   7.2281  201.006   9.4594 14.72054 11.90484 
1 1 1  -12   14   41 o  398.319   8.3487  1081.33   45.065  1081.33   45.065   0.0000   0.0000  398.319   8.3487  ?   ?       ?      ? 
1 1 1  -12   14   42 o  191.305   7.4123  249.152   19.216  249.152   19.216   0.0000   0.0000  191.305   7.4123  ?   ?       ?      ? 
1 1 1  -12   14   43 o  287.916   6.4129  568.786   23.180  557.709   41.267  573.891   28.017  285.456   10.668  290.376   7.1200 -4.920349 12.82575 
1 1 1  -12   14   44 o  297.313   7.4979  602.293   30.134  647.275   44.563  564.397   40.902  307.466   10.695  287.159   10.511 20.30713 14.99574 
1 1 1  -12   14   45 o  274.817   7.3478  515.855   27.325  537.691   39.975  496.705   37.436  280.227   10.527  269.407   10.254 10.81985 14.69556 
1 1 1  -12   14   46 o  106.818   6.0838   76.799   8.6635   83.712   13.761   72.259   11.151  110.692   9.1738  102.944   7.9932 7.747803 12.16757 
1 1 1  -12   14   47 o  272.790   5.1185  506.509   18.883  513.578   27.681  500.356   25.826  274.527   7.4407  271.053   7.0310 3.474335 10.23708 
1 1 1  -12   14   48 o  219.737   5.0139  329.186   14.888  325.595   21.821  332.313   20.365  218.567   7.3672  220.906   6.8030 -2.338699 10.02778 
1 1 1  -12   14   49 o  128.814   5.5227  114.120   9.5256  106.454   14.339  120.175   12.744  124.831   8.4766  132.797   7.0816 -7.965340 11.04545 
1 1 1  -12   14   50 f  188.088   5.0277  241.694   12.762  234.814   18.767  247.613   17.406  185.534   7.4643  190.642   6.7377 -5.107819 10.05542 
1 1 1  -12   14   51 o  231.045   5.0005  362.865   15.613  379.145   23.129  349.236   21.163  235.755   7.2397  226.335   6.8998 9.420059 10.00101 
1 1 1  -12   14   52 o   97.498   6.2798   64.652   8.2059   68.119   12.709   62.174   10.746   99.659   9.4104   95.337   8.3179 4.321922 12.55958 
1 1 1  -12   14   53 o  139.108   5.3201  133.251   9.9265  123.479   14.802  141.238   13.381  134.339   8.1309  143.876   6.8633 -9.536835 10.64030 
1 1 1  -12   14   54 o  107.549   7.5857   85.865   9.6016   66.849   17.729   93.757   11.422   97.947   13.357  117.150   7.1945 -19.20367 15.17139 
1 1 1  -12   14   55 o   52.279   10.653   17.388   7.2343   25.981   14.220   14.387   8.4028   59.626   16.852   44.933   13.036 14.69276 21.30556 
1 1 1  -12   14   56 o  106.727   5.8512   76.941   8.3805   86.953   13.005   69.831   10.959  112.531   8.5284  100.924   8.0132 11.60750 11.70238 
1 1 1  -12   14   57 o  117.640   5.7239   94.978   9.0211   95.091   13.838   94.895   11.896  117.587   8.6842  117.694   7.4590 -0.1068649 11.44780 
1 1 1  -12   14   58 o   68.053   8.6151   38.035   7.3149   14.399   11.148   55.904   9.6934   45.881   15.298   90.226   7.9279 -44.34561 17.23024 
1 1 1  -12   14   59 o  222.812   5.0389  340.737   15.186  333.097   22.011  347.676   20.979  220.335   7.3718  225.290   6.8716 -4.954422 10.07781 
1 1 1  -12   14   60 o   51.356   14.688   19.351   10.737   19.351   10.737   0.0000   0.0000   51.356   14.688  ?   ?       ?      ? 
1 1 1  -12   14   61 o  184.677   5.9036  228.499   14.338  208.520   17.908  264.180   23.932  174.064   7.5918  195.290   9.0429 -21.22672 11.80719 
1 1 1  -12   14   62 o   50.688   9.4619   19.068   6.5441   18.018   10.213   19.799   8.5236   49.455   14.379   51.921   12.303 -2.466160 18.92387 
1 1 1  -12   14   63 o  110.877   5.6497   86.018   8.3788   76.028   12.386   94.447   11.377  104.653   8.7333  117.101   7.1697 -12.44722 11.29939 
1 1 1  -12   14   64 o   51.120   8.6958   20.007   6.2710   11.593   9.7049   26.039   8.2167   41.290   14.265   60.950   9.9482 -19.65977 17.39165 
1 1 1  -12   14   65 f   30.662   8.8774   2.9860   5.7564   3.7697   9.1910   2.4801   7.3841   32.531   13.250   28.792   11.818 3.738951 17.75482 
1 1 1  -12   14   66 o   73.449   7.5012   40.186   6.9413   29.887   10.396   48.471   9.3241   63.469   12.532   83.428   8.2473 -19.95825 15.00237 
1 1 1  -12   14   67 o   54.705   8.9804   22.342   6.4840   23.687   9.8801   21.324   8.5934   55.981   13.233   53.429   12.144 2.552738 17.96072 
1 1 1  -12   14   68 o   57.779   11.690   24.820   8.8388   0.0000   0.0000   24.820   8.8388  ?   ?    57.779   11.690      ?      ? 
1 1 1  -12   14   69 o  113.752   7.1096   84.328   9.7779  110.775   19.683   75.663   11.267  123.532   11.758  103.972   7.9963 19.56017 14.21916 
1 1 1  -12   14   70 o   48.102   10.651   15.119   7.0753   26.167   13.793   11.175   8.2423   56.921   16.756   39.282   13.154 17.63837 21.30260 
1 1 1  -12   14   71 o   43.327   10.263   14.472   7.0168   8.7185   13.433   16.631   8.2287   40.098   16.130   46.556   12.694 -6.458496 20.52579 
1 1 1  -12   14   72 o   83.483   9.0730   55.766   8.7686   44.442   15.701   60.899   10.571   74.192   16.081   92.775   8.4079 -18.58286 18.14607 
1 1 1  -12   14   73 o   96.628   9.2294   69.917   12.039   62.407   16.364   78.776   17.774   90.824   13.296  102.431   12.804 -11.60674 18.45877 
1 1 1  -12   14   74 o   56.731   11.632   25.766   9.7419   17.147   12.964   36.945   14.765   46.722   16.466   66.739   16.435 -20.01689 23.26446 
1 1 1  -12   14   75 o   99.351   9.7824   74.040   12.132   46.980   15.874  112.037   18.811   75.651   15.985  123.051   11.281 -47.40010 19.56489 
1 1 1  -12   14   76 f   36.793   10.852   6.1401   8.9404   5.9881   11.891   6.3377   13.559   35.972   14.905   37.613   15.776 -1.641357 21.70320 
1 1 1  -12   14   77 o   44.953   11.506   13.797   9.5720   4.4368   12.818   25.598   14.393   35.529   15.139   54.378   17.331 -18.84850 23.01189 
1 1 1  -12   14   78 o   29.731   13.472  -2.7605   11.701  -2.7605   11.701   0.0000   0.0000   29.731   13.472  ?   ?       ?      ? 
1 1 1  -12   14   79 o   65.190   15.941   36.236   13.966   36.236   13.966   0.0000   0.0000   65.190   15.941  ?   ?       ?      ? 
1 1 1  -12   14   80 o   43.590   16.053   15.410   12.483   15.410   12.483   0.0000   0.0000   43.590   16.053  ?   ?       ?      ? 
1 1 1  -12   14   81 o   53.449   16.696   25.761   13.420   25.761   13.420   0.0000   0.0000   53.449   16.696  ?   ?       ?      ? 
1 1 1  -12   14   82 o   23.131   11.287 -16.3735   11.560 -16.3735   11.560   0.0000   0.0000   23.131   11.287  ?   ?       ?      ? 
1 1 1  -12   15    1 o  417.594   5.9333  1187.18   33.563  1215.36   47.219  1158.41   47.716  422.635   8.2445  412.552   8.5349 10.08356 11.86662 
1 1 1  -12   15    2 o  289.764   5.0885  571.506   19.951  601.531   28.040  540.718   28.394  297.513   6.9548  282.015   7.4297 15.49838 10.17693 
1 1 1  -12   15    3 o  154.771   4.8568  163.400   10.139  170.975   13.897  154.777   14.827  158.648   6.4639  150.896   7.2508 7.751907 9.713687 
1 1 1  -12   15    4 o  168.443   4.7944  192.930   10.908  194.616   14.870  190.967   16.049  169.260   6.4831  167.625   7.0650 1.634750 9.588760 
1 1 1  -12   15    5 o  218.837   4.7759  325.928   14.138  337.833   19.661  313.180   20.345  223.004   6.5059  214.670   6.9937 8.334198 9.551859 
1 1 1  -12   15    6 o  280.936   5.0020  536.781   19.030  553.408   26.720  519.668   27.108  285.373   6.9094  276.499   7.2347 8.874786 10.00406 
1 1 1  -12   15    7 o  211.850   4.7751  305.284   13.689  312.750   19.005  297.235   19.734  214.564   6.5362  209.137   6.9630 5.426437 9.550099 
1 1 1  -12   15    8 o  163.876   4.8187  182.401   10.688  180.944   14.721  184.024   15.541  163.195   6.6567  164.557   6.9691 -1.361801 9.637420 
1 1 1  -12   15    9 o  143.214   5.0258  137.975   9.6968  119.987   13.034  160.268   14.511  132.860   7.2396  153.568   6.9729 -20.70799 10.05151 
1 1 1  -12   15   10 o  279.378   5.0692  529.569   19.171  510.249   26.376  551.208   27.913  273.994   7.1037  284.763   7.2335 -10.76871 10.13831 
1 1 1  -12   15   11 o  415.934   6.7221  1152.54   32.915  1126.78   37.877  1232.02   66.525  407.203   6.8640  424.664   11.560 -17.46082 13.44418 
1 1 1  -12   15   12 o  189.205   5.6453  244.564   13.750  246.915   17.019  240.146   23.332  190.639   6.5878  187.771   9.1694 2.868210 11.29058 
1 1 1  -12   15   13 f  126.554   6.5050  108.775   11.139  102.788   15.270  115.586   16.287  122.844   9.1726  130.264   9.2262 -7.419556 13.00996 
1 1 1  -12   15   14 o  208.879   5.7905  294.393   15.973  286.201   20.287  307.754   25.908  205.179   7.2963  212.580   8.9934 -7.401184 11.58091 
1 1 1  -12   15   15 o  265.500   5.9940  473.547   20.815  456.853   26.003  503.326   34.729  259.214   7.4026  271.785   9.4294 -12.57184 11.98800 
1 1 1  -12   15   16 o  251.089   5.4696  422.508   16.516  415.330   19.249  442.534   32.154  247.322   5.7434  254.856   9.3102 -7.534546 10.93928 
1 1 1  -12   15   17 f  184.730   5.1881  222.476   11.657  211.286   13.583  253.767   22.714  176.403   5.6820  193.057   8.6823 -16.65398 10.37624 
1 1 1  -12   15   18 o  109.275   5.8569   80.321   7.8684   79.043   9.3024   83.535   14.751  107.865   6.3640  110.686   9.8344 -2.820259 11.71389 
1 1 1  -12   15   19 o   73.988   6.9612   37.525   6.4571   37.855   7.7951   36.805   11.527   74.599   7.7109   73.377   11.592 1.222725 13.92246 
1 1 1  -12   15   20 o   87.139   6.5509   53.084   7.0011   55.053   8.3795   48.529   12.741   89.998   6.8707   84.281   11.156 5.717255 13.10175 
1 1 1  -12   15   21 o  160.943   5.2372  170.199   10.324  162.764   12.099  190.104   19.796  154.816   5.7670  167.070   8.7437 -12.25441 10.47432 
1 1 1  -12   15   22 o  176.209   5.6933  210.850   13.595  210.850   13.595   0.0000   0.0000  176.209   5.6933  ?   ?       ?      ? 
1 1 1  -12   15   23 f  115.444   6.3249   90.552   9.8948   90.552   9.8948   0.0000   0.0000  115.444   6.3249  ?   ?       ?      ? 
1 1 1  -12   15   24 f   78.432   6.9421   41.182   6.9179   39.785   8.3638   44.207   12.309   76.452   8.0729   80.413   11.296 -3.960648 13.88418 
1 1 1  -12   15   25 o  245.957   5.4580  407.824   16.266  403.192   19.070  420.195   31.163  243.647   5.7757  248.267   9.2628 -4.619843 10.91600 
1 1 1  -12   15   26 o   66.603   7.7080   28.832   6.7056   25.153   8.2547   35.970   11.498   60.706   10.034   72.500   11.703 -11.79428 15.41610 
1 1 1  -12   15   27 o  193.299   5.2972  250.744   12.658  245.880   15.011  262.714   23.550  190.258   5.8223  196.341   8.8512 -6.083359 10.59445 
1 1 1  -12   15   28 o  133.642   5.6909  122.572   9.5610  124.250   11.582  118.982   16.940  135.214   6.3209  132.071   9.4653 3.142456 11.38184 
1 1 1  -12   15   29 o  236.478   5.4647  376.868   15.764  372.069   18.555  389.323   29.890  234.028   5.8507  238.929   9.2316 -4.900696 10.92945 
1 1 1  -12   15   30 o  196.626   5.3787  259.372   13.040  254.219   15.434  272.226   24.378  193.438   5.8880  199.813   9.0029 -6.374695 10.75736 
1 1 1  -12   15   31 o  187.647   5.3608  232.729   12.515  222.837   14.835  257.137   23.304  181.088   6.0453  194.205   8.8549 -13.11731 10.72168 
1 1 1  -12   15   32 o  121.342   5.9430   91.814   9.2971   73.952   11.229  130.749   16.578  104.206   7.9518  138.478   8.8345 -34.27148 11.88610 
1 1 1  -12   15   33 o  228.301   6.0697  363.285   18.282  400.765   24.101  312.496   28.056  242.668   7.3290  213.934   9.6775 28.73331 12.13950 
1 1 1  -12   15   34 o  151.749   6.1539  155.305   12.566  143.288   16.611  171.382   19.213  144.988   8.4542  158.509   8.9447 -13.52122 12.30778 
1 1 1  -12   15   35 o  141.050   6.4631  138.232   12.127  156.740   16.460  116.262   17.933  151.680   8.0081  130.419   10.147 21.26057 12.92630 
1 1 1  -12   15   36 o  239.779   5.9860  386.388   18.918  369.070   23.868  415.648   31.025  232.806   7.5656  246.751   9.2784 -13.94485 11.97190 
1 1 1  -12   15   37 o  271.658   6.1312  500.390   21.833  491.771   27.472  515.167   35.972  268.722   7.5441  274.593   9.6671 -5.871796 12.26238 
1 1 1  -12   15   38 o  173.353   6.0252  205.259   13.915  206.544   18.124  203.414   21.715  174.123   7.6812  172.584   9.2850 1.538803 12.05040 
1 1 1  -12   15   39 o  127.849   6.5179  111.449   11.221  109.964   15.003  113.335   16.905  126.937   8.7219  128.761   9.6882 -1.823311 13.03586 
1 1 1  -12   15   40 o   65.012   9.3798   30.861   7.8198   34.151   9.8839   25.356   12.786   70.626   10.327   59.398   15.661 11.22812 18.75957 
1 1 1  -12   15   41 o  237.330   6.0641  383.068   19.503  383.068   19.503   0.0000   0.0000  237.330   6.0641  ?   ?       ?      ? 
1 1 1  -12   15   42 o  139.546   6.7151  132.573   12.699  132.573   12.699   0.0000   0.0000  139.546   6.7151  ?   ?       ?      ? 
1 1 1  -12   15   43 o  161.843   5.6401  176.499   11.534  172.686   13.913  184.876   20.624  159.279   6.4461  164.407   9.2569 -5.127899 11.28017 
1 1 1  -12   15   44 f  135.762   8.8671  126.021   16.313  126.021   16.313   0.0000   0.0000  135.762   8.8671  ?   ?       ?      ? 
1 1 1  -12   15   45 o   61.471   8.8374   27.909   7.0183   21.132   11.156   32.347   9.0288   54.239   14.777   68.702   9.6979 -14.46331 17.67489 
1 1 1  -12   15   46 f  151.480   5.1831  156.846   10.550  154.201   15.918  158.919   14.088  150.268   7.8168  152.693   6.8086 -2.425232 10.36626 
1 1 1  -12   15   47 o  153.169   5.1987  160.212   10.722  159.442   16.075  160.829   14.390  152.772   7.7647  153.565   6.9150 -0.7926483 10.39744 
1 1 1  -12   15   48 o  153.633   5.1618  161.192   10.666  160.964   16.092  161.370   14.243  153.464   7.7379  153.803   6.8338 -0.3396454 10.32357 
1 1 1  -12   15   49 o  159.681   5.1387  174.677   11.033  169.921   16.542  178.489   14.809  157.630   7.7442  161.732   6.7567 -4.102814 10.27742 
1 1 1  -12   15   50 o  122.573   5.6954  104.773   9.2579   91.423   14.054  115.006   12.305  115.390   8.9880  129.757   6.9977 -14.36703 11.39085 
1 1 1  -12   15   51 o  101.670   7.9718   78.334   9.4882   57.121   17.263   87.516   11.358   90.239   14.117  113.101   7.4103 -22.86205 15.94354 
1 1 1  -12   15   52 f  246.839   6.1755  409.993   19.087  441.974   34.908  396.354   22.796  252.928   10.185  240.750   6.9873 12.17773 12.35099 
1 1 1  -12   15   53 o   94.460   6.6626   62.086   8.3478   58.690   13.015   64.460   10.881   92.056   10.433   96.863   8.2892 -4.806702 13.32516 
1 1 1  -12   15   54 o  192.456   7.4858  254.035   19.523  254.035   19.523   0.0000   0.0000  192.456   7.4858  ?   ?       ?      ? 
1 1 1  -12   15   55 o  132.197   5.4779  117.902   9.7221  137.964   15.022  103.441   12.753  141.680   7.8239  122.714   7.6692 18.96673 10.95584 
1 1 1  -12   15   56 o  167.713   5.2438  194.919   11.807  170.089   17.052  217.789   16.365  157.172   8.0058  178.254   6.7747 -21.08205 10.48757 
1 1 1  -12   15   57 o   83.510   10.817   48.759   12.242   48.759   12.242   0.0000   0.0000   83.510   10.817  ?   ?       ?      ? 
1 1 1  -12   15   58 o  262.964   7.5177  476.317   26.789  476.317   26.789   0.0000   0.0000  262.964   7.5177  ?   ?       ?      ? 
1 1 1  -12   15   59 o  125.389   5.6251  109.520   9.4629  101.041   14.059  116.543   12.795  120.711   8.5946  130.068   7.2594 -9.357170 11.25014 
1 1 1  -12   15   60 o   52.216   9.4851   19.689   6.6728   24.441   10.564   16.535   8.6073   57.163   13.795   47.270   13.021 9.892815 18.97029 
1 1 1  -12   15   61 o  145.173   5.2763  146.894   10.286  133.759   15.136  158.166   14.022  138.857   8.0437  151.488   6.8305 -12.63065 10.55256 
1 1 1  -12   15   62 o  147.750   5.3402  153.520   10.515  126.688   15.244  177.876   14.523  134.888   8.3394  160.611   6.6727 -25.72322 10.68043 
1 1 1  -12   15   63 o  124.473   5.4833  106.771   9.2062  117.497   13.857   98.296   12.317  129.975   7.8675  118.970   7.6400 11.00568 10.96666 
1 1 1  -12   15   64 o   71.133   8.0317   38.595   7.1430   28.252   10.950   46.256   9.4241   61.000   13.594   81.265   8.5576 -20.26500 16.06347 
1 1 1  -12   15   65 o   44.576   12.944   14.971   8.2809   0.0000   0.0000   14.971   8.2809  ?   ?    44.576   12.944      ?      ? 
1 1 1  -12   15   66 o   69.346   10.089   35.934   8.0839   38.163   16.495   35.229   9.2739   68.333   17.679   70.358   9.7267 -2.025665 20.17816 
1 1 1  -12   15   67 o   34.115   9.9256   4.7325   6.7290   4.6590   13.085   4.7589   7.8460   36.884   15.485   31.346   12.421 5.537655 19.85120 
1 1 1  -12   15   68 o   46.263   10.671   16.284   7.1127   15.314   14.413   16.597   8.1779   46.041   17.192   46.484   12.646 -0.4425545 21.34208 
1 1 1  -12   15   69 o   54.628   10.149   25.246   7.5050   17.388   13.903   28.477   8.9156   47.516   17.019   61.741   11.062 -14.22529 20.29821 
1 1 1  -12   15   70 o   36.220   9.6041   8.3627   6.7459  -1.0273   12.202   12.496   8.0958   31.825   14.137   40.615   13.004 -8.790264 19.20822 
1 1 1  -12   15   71 f   50.500   11.440   20.704   9.4490   28.731   12.887   11.370   13.896   59.077   15.793   41.924   16.556 17.15312 22.88064 
1 1 1  -12   15   72 f   34.279   10.350   2.8812   8.6526   6.8972   11.923  -1.5866   12.576   36.829   15.056   31.728   14.205 5.101311 20.69967 
1 1 1  -12   15   73 o   44.460   11.135   13.930   9.1851   24.324   12.963   3.4495   13.016   53.749   16.344   35.170   15.128 18.57940 22.27067 
1 1 1  -12   15   74 o   51.784   11.539   21.915   9.5868   12.486   13.281   32.172   13.852   42.005   16.303   61.562   16.335 -19.55730 23.07856 
1 1 1  -12   15   75 o   82.508   10.205   54.550   11.135   58.271   15.688   50.772   15.808   86.567   13.373   78.450   15.419 8.116386 20.41042 
1 1 1  -12   15   76 o   29.947   13.620  -2.9945   12.100  -2.9945   12.100   0.0000   0.0000   29.947   13.620  ?   ?       ?      ? 
1 1 1  -12   15   77 o   47.431   16.444   19.299   12.901   19.299   12.901   0.0000   0.0000   47.431   16.444  ?   ?       ?      ? 
1 1 1  -12   15   79 o   40.785   16.063   12.850   13.046   12.850   13.046   0.0000   0.0000   40.785   16.063  ?   ?       ?      ? 
1 1 1  -12   15   80 o   27.367   12.753  -5.4289   11.558  -5.4289   11.558   0.0000   0.0000   27.367   12.753  ?   ?       ?      ? 
1 1 1  -12   15   81 o   76.792   15.062   51.705   15.114   51.705   15.114   0.0000   0.0000   76.792   15.062  ?   ?       ?      ? 
1 1 1  -12   16    1 o  170.547   10.372  198.666   23.972  198.666   23.972   0.0000   0.0000  170.547   10.372  ?   ?       ?      ? 
1 1 1  -12   16    2 o  308.680   6.4932  659.129   25.356  677.175   31.003  622.667   44.068  315.518   7.2510  301.841   10.774 13.67636 12.98633 
1 1 1  -12   16    3 o  130.894   6.1701  117.951   10.272  120.348   12.597  113.194   17.747  133.032   6.9875  128.757   10.171 4.275177 12.34028 
1 1 1  -12   16    4 o  163.560   5.7702  184.475   12.072  189.471   14.912  174.979   20.561  166.953   6.5912  160.168   9.4731 6.785736 11.54047 
1 1 1  -12   16    5 o  176.711   5.7597  212.058   13.035  210.898   15.985  214.360   22.518  176.132   6.6970  177.290   9.3726 -1.158157 11.51941 
1 1 1  -12   16    6 o  187.677   5.8562  245.517   14.027  258.062   17.410  222.311   23.679  194.844   6.5938  180.510   9.6800 14.33423 11.71241 
1 1 1  -12   16    7 o  170.598   6.4195  199.713   14.738  220.544   20.497  177.412   21.207  179.944   8.4056  161.251   9.7051 18.69228 12.83907 
1 1 1  -12   16    8 o  150.930   5.7527  155.263   11.601  154.160   17.938  156.056   15.209  150.406   8.8011  151.454   7.4104 -1.047897 11.50534 
1 1 1  -12   16    9 o  128.959   7.4956  119.843   11.777   98.669   20.993  129.567   14.227  119.932   12.917  137.987   7.6082 -18.05537 14.99122 
1 1 1  -12   16   10 o  302.919   6.6064  622.229   25.414  635.993   44.752  615.677   30.877  305.041   10.826  300.796   7.5749 4.245300 13.21288 
1 1 1  -12   16   11 o  164.995   5.9410  186.444   12.674  188.890   15.781  181.999   21.270  166.662   6.9874  163.328   9.6102 3.333572 11.88191 
1 1 1  -12   16   12 o  159.588   5.5419  175.742   10.644  178.652   12.516  168.142   20.231  162.180   5.6947  156.997   9.5090 5.183868 11.08384 
1 1 1  -12   16   13 o  113.164   6.1359   89.115   8.4037   91.525   9.9444   83.094   15.717  116.048   6.3235  110.281   10.517 5.767754 12.27182 
1 1 1  -12   16   14 o  194.594   5.3711  253.215   12.562  248.156   14.626  267.440   24.526  191.144   5.6465  198.045   9.1384 -6.900772 10.74217 
1 1 1  -12   16   15 o  133.939   5.5802  118.677   9.1148  114.453   10.671  130.074   17.529  129.786   6.0673  138.091   9.3671 -8.305481 11.16041 
1 1 1  -12   16   16 o   98.064   6.2394   62.315   7.6337   57.751   9.0172   73.858   14.341   92.137   7.2220  103.991   10.177 -11.85436 12.47888 
1 1 1  -12   16   17 o  130.059   5.7664  115.358   9.1378  115.558   10.786  114.850   17.201  130.406   6.1034  129.712   9.7854 0.6939087 11.53283 
1 1 1  -12   16   18 o  144.929   6.0089  142.721   11.801  142.721   11.801   0.0000   0.0000  144.929   6.0089  ?   ?       ?      ? 
1 1 1  -12   16   19 o  280.041   5.9486  532.856   22.575  532.856   22.575   0.0000   0.0000  280.041   5.9486  ?   ?       ?      ? 
1 1 1  -12   16   20 o   72.629   7.7994   33.598   7.2813   28.823   8.7711   44.183   13.059   64.966   9.9629   80.291   12.003 -15.32583 15.59876 
1 1 1  -12   16   21 o   95.322   8.4079   58.367   9.2898   26.463   11.617  114.947   15.471   60.800   14.334  129.845   8.7925 -69.04483 16.81572 
1 1 1  -12   16   22 o  219.477   5.9990  331.046   17.212  339.207   21.804  317.554   28.037  223.274   7.2065  215.680   9.5925 7.594223 11.99790 
1 1 1  -12   16   23 o  424.557   7.3846  1243.60   40.583  1272.16   50.748  1192.94   67.592  431.969   8.6694  417.145   11.957 14.82336 14.76925 
1 1 1  -12   16   24 o  195.178   5.9519  255.314   15.299  242.296   19.254  277.609   25.197  188.656   7.5312  201.700   9.2185 -13.04367 11.90381 
1 1 1  -12   16   25 o  126.618   6.5797  110.223   11.097  114.187   14.574  104.754   17.119  129.440   8.3088  123.796   10.205 5.643936 13.15936 
1 1 1  -12   16   26 o  198.349   5.9221  266.961   15.424  263.344   19.472  273.051   25.268  196.696   7.3053  200.002   9.3231 -3.306046 11.84430 
1 1 1  -12   16   27 f  225.697   6.0119  350.429   17.738  359.714   22.482  335.120   28.868  229.890   7.2167  221.505   9.6173 8.385422 12.02386 
1 1 1  -12   16   28 f  184.944   5.8935  230.196   14.341  221.258   18.065  245.433   23.585  180.271   7.3948  189.617   9.1788 -9.346436 11.78696 
1 1 1  -12   16   29 o  226.302   5.9389  349.986   17.588  352.259   22.204  346.158   28.813  227.479   7.2029  225.124   9.4447 2.355133 11.87787 
1 1 1  -12   16   30 o  215.112   5.4830  304.851   14.488  291.531   17.014  339.981   27.631  207.077   6.0630  223.146   9.1374 -16.06895 10.96598 
1 1 1  -12   16   31 o  227.280   5.9882  348.451   17.967  335.771   22.767  369.385   29.253  222.013   7.5672  232.546   9.2829 -10.53331 11.97643 
1 1 1  -12   16   32 o  146.109   6.2133  143.775   12.131  134.790   15.699  157.092   19.112  140.584   8.2405  151.634   9.3012 -11.05008 12.42651 
1 1 1  -12   16   33 o  179.391   5.5903  221.962   12.398  225.817   14.840  213.056   22.557  182.233   6.0095  176.549   9.4281 5.683228 11.18050 
1 1 1  -12   16   34 o   70.031   8.4308   33.823   7.5089   32.706   9.3583   35.841   12.582   69.126   9.9902   70.935   13.583 -1.809906 16.86153 
1 1 1  -12   16   35 f   41.491   8.9538   5.7645   6.5659  -4.9763   8.2450   24.384   10.856   24.724   11.244   58.258   13.937 -33.53451 17.90752 
1 1 1  -12   16   36 o   93.776   7.0131   60.888   8.3984   62.291   10.350   58.183   14.369   95.550   7.9936   92.002   11.525 3.547997 14.02611 
1 1 1  -12   16   37 o  203.020   5.6967  288.948   14.281  300.937   17.198  262.314   25.633  210.314   6.0343  195.726   9.6642 14.58757 11.39338 
1 1 1  -12   16   38 o  109.942   7.4229   82.432   11.059   82.432   11.059   0.0000   0.0000  109.942   7.4229  ?   ?       ?      ? 
1 1 1  -12   16   39 o   60.905   9.2112   24.765   7.2400   18.268   9.0634   36.223   12.035   50.462   13.129   71.347   12.924 -20.88512 18.42231 
1 1 1  -12   16   40 o   81.618   7.3583   44.634   7.9175   41.200   9.9423   50.587   13.090   77.531   9.4631   85.705   11.271 -8.174301 14.71663 
1 1 1  -12   16   41 f  179.033   5.6628  222.026   12.640  226.872   15.248  211.380   22.602  182.513   6.1650  175.552   9.5006 6.961075 11.32555 
1 1 1  -12   16   42 o   69.525   8.6788   34.380   7.6745   35.405   9.7023   32.666   12.544   71.776   9.9750   67.273   14.205 4.502960 17.35757 
1 1 1  -12   16   43 o  114.949   6.0878   87.117   9.0932   79.340   11.158  102.495   15.691  107.735   7.6427  122.163   9.4782 -14.42770 12.17562 
1 1 1  -12   16   44 o   82.394   7.6911   48.377   8.1294   52.349   10.255   41.659   13.336   87.374   8.6611   77.414   12.712 9.959877 15.38228 
1 1 1  -12   16   45 o   75.779   7.9211   38.441   7.9481   34.033   10.025   45.902   13.041   70.212   10.536   81.346   11.830 -11.13370 15.84219 
1 1 1  -12   16   46 o  200.968   5.7007  280.332   14.216  285.787   17.078  268.027   25.651  204.675   6.1574  197.260   9.5959 7.415649 11.40148 
1 1 1  -12   16   47 o   55.528   9.9629   21.791   7.4235   18.334   9.5706   27.012   11.762   50.287   13.681   60.770   14.487 -10.48291 19.92584 
1 1 1  -12   16   48 o  115.720   6.9178   92.309   10.819   89.950   14.698   95.098   15.985  114.173   9.4994  117.266   10.059 -3.093292 13.83568 
1 1 1  -12   16   49 f   80.406   9.9785   45.796   10.324   48.884   16.858   43.943   13.059   81.542   15.827   79.269   12.157 2.273201 19.95697 
1 1 1  -12   16   50 o   69.694   7.9059   34.503   7.0569   33.633   11.360   35.050   9.0053   68.182   12.764   71.207   9.3323 -3.025894 15.81176 
1 1 1  -12   16   51 o   49.027   9.1365   18.543   6.4562   9.7259   10.388   24.093   8.2411   40.146   14.665   57.909   10.902 -17.76269 18.27297 
1 1 1  -12   16   52 o   37.668   9.6969   6.1178   7.2682   15.575   10.088  -4.0896   10.481   46.566   14.465   28.771   12.919 17.79433 19.39384 
1 1 1  -12   16   53 o  123.248   6.4809  103.942   10.627   98.233   13.627  112.800   16.975  119.209   8.4356  127.287   9.8413 -8.078545 12.96187 
1 1 1  -12   16   54 o   76.653   9.2077   43.919   8.9244   49.023   11.534   36.303   14.088   83.753   10.162   69.552   15.358 14.20042 18.41542 
1 1 1  -12   16   55 o   89.323   7.5539   53.386   8.9216   42.867   11.269   71.055   14.604   78.109   10.646  100.537   10.720 -22.42847 15.10788 
1 1 1  -12   16   56 o   74.036   7.7164   41.484   7.0489   29.346   10.881   50.263   9.2532   62.896   13.187   85.176   8.0166 -22.27970 15.43271 
1 1 1  -12   16   57 f   53.376   9.3325   21.286   6.6266   21.285   10.442   21.286   8.5743   53.121   14.223   53.632   12.087 -0.5112572 18.66509 
1 1 1  -12   16   58 o  118.275   5.5844   98.150   8.8334   89.418   13.225  105.183   11.869  113.200   8.6211  123.350   7.1007 -10.15051 11.16890 
1 1 1  -12   16   59 o  130.139   5.4455  119.001   9.4867  102.326   13.778  134.032   13.082  121.066   8.3981  139.213   6.9342 -18.14662 10.89092 
1 1 1  -12   16   60 o  129.225   5.4543  116.854   9.4929  108.771   13.885  123.949   13.008  124.776   8.2114  133.673   7.1812 -8.896492 10.90856 
1 1 1  -12   16   61 o   80.884   9.1231   51.453   8.4755   41.686   15.571   55.565   10.103   72.737   16.211   89.030   8.3743 -16.29324 18.24627 
1 1 1  -12   16   62 o   53.824   9.3015   25.182   7.2062   8.7616   13.145   32.237   8.6165   40.233   16.035   67.414   9.4319 -27.18032 18.60300 
1 1 1  -12   16   63 o   36.830   10.190   7.6859   6.7206   6.1689   13.638   8.1724   7.7233   38.506   15.959   35.155   12.675 3.350628 20.37977 
1 1 1  -12   16   64 o   35.195   10.097   3.7470   6.7000   12.289   13.365   0.8794   7.7433   42.974   16.439   27.417   11.727 15.55696 20.19331 
1 1 1  -12   16   65 o  124.259   7.1700  116.022   10.807   99.286   19.411  123.540   13.010  115.638   12.387  132.880   7.2250 -17.24278 14.33995 
1 1 1  -12   16   66 o   32.562   9.3418   4.1616   6.8373  -7.7791   12.666   9.0716   8.1223   28.851   13.413   36.273   13.007 -7.422251 18.68361 
1 1 1  -12   16   67 o   78.667   9.0882   48.657   8.4334   43.017   15.207   51.163   10.135   72.666   15.886   84.667   8.8331 -12.00098 18.17642 
1 1 1  -12   16   68 o   50.410   11.962   20.860   9.7030   17.755   13.629   24.052   13.817   47.292   16.860   53.527   16.972 -6.234333 23.92320 
1 1 1  -12   16   69 o   40.202   11.264   10.223   9.1497   8.5637   13.101   11.804   12.784   38.971   15.840   41.433   16.019 -2.461670 22.52805 
1 1 1  -12   16   70 o   47.170   11.549   17.595   9.4434   9.9235   13.537   24.867   13.180   40.170   16.181   54.171   16.482 -14.00113 23.09720 
1 1 1  -12   16   71 f   51.211   11.885   22.322   9.5274   23.187   13.622   21.494   13.330   52.046   16.889   50.375   16.725 1.670357 23.76918 
1 1 1  -12   16   72 o   38.402   10.956   7.7497   9.1534   0.6954   12.864   14.985   13.028   32.981   14.590   43.822   16.348 -10.84086 21.91169 
1 1 1  -12   16   73 o   77.715   14.835   49.692   15.053   49.692   15.053   0.0000   0.0000   77.715   14.835  ?   ?       ?      ? 
1 1 1  -12   16   75 o   24.201   11.687 -13.6700   11.567 -13.6700   11.567   0.0000   0.0000   24.201   11.687  ?   ?       ?      ? 
1 1 1  -12   16   76 o   46.498   16.643   19.295   13.294   19.295   13.294   0.0000   0.0000   46.498   16.643  ?   ?       ?      ? 
1 1 1  -12   16   77 o   26.030   12.323  -8.3049   11.555  -8.3049   11.555   0.0000   0.0000   26.030   12.323  ?   ?       ?      ? 
1 1 1  -12   16   78 o   50.267   16.404   23.940   12.845   23.940   12.845   0.0000   0.0000   50.267   16.404  ?   ?       ?      ? 
1 1 1  -12   17    1 o  281.308   6.1903  534.485   22.142  524.586   26.882  555.371   39.048  277.617   7.1456  285.000   10.110 -7.383331 12.38069 
1 1 1  -12   17    2 o  246.234   6.8254  415.419   22.692  452.792   31.940  377.329   32.245  257.551   9.1514  234.916   10.129 22.63463 13.65082 
1 1 1  -12   17    3 o  107.832   8.9247   79.342   13.041   0.0000   0.0000   79.342   13.041  ?   ?   107.832   8.9247      ?      ? 
1 1 1  -12   17    4 o  251.944   6.3573  425.999   20.387  453.978   36.087  412.883   24.708  257.632   10.337  246.256   7.4039 11.37529 12.71463 
1 1 1  -12   17    5 o  166.381   6.5450  187.308   13.890  193.966   24.324  184.086   16.920  168.352   10.662  164.411   7.5943 3.940430 13.09004 
1 1 1  -12   17    6 o  161.356   5.2298  177.691   11.385  182.403   15.514  172.193   16.759  163.721   6.9927  158.992   7.7784 4.728958 10.45950 
1 1 1  -12   17    7 f  172.411   7.8948  204.008   18.375  208.497   25.083  198.809   26.994  174.553   10.604  170.268   11.699 4.285126 15.78965 
1 1 1  -12   17    8 o  251.001   6.5293  416.140   19.887  399.751   23.194  461.641   38.647  242.361   7.0620  259.640   10.984 -17.27856 13.05850 
1 1 1  -12   17    9 o  110.924   5.9793   84.406   8.9111   88.580   12.034   79.337   13.260  114.033   7.7873  107.816   9.0755 6.216537 11.95857 
1 1 1  -12   17   10 o  237.457   5.0545  384.007   16.242  388.317   22.459  379.282   23.517  238.886   6.9376  236.028   7.3526 2.857224 10.10895 
1 1 1  -12   17   11 o  290.072   5.9606  581.579   20.548  590.406   23.986  557.235   39.832  294.715   6.0057  285.430   10.298 9.285217 11.92128 
1 1 1  -12   17   12 o  142.175   5.9362  141.411   10.019  145.540   11.734  130.298   19.251  146.331   5.9173  138.020   10.293 8.310471 11.87249 
1 1 1  -12   17   13 o   90.877   7.2440   56.222   8.9210   56.222   8.9210   0.0000   0.0000   90.877   7.2440  ?   ?       ?      ? 
1 1 1  -12   17   14 o  247.755   5.7987  417.175   19.469  417.175   19.469   0.0000   0.0000  247.755   5.7987  ?   ?       ?      ? 
1 1 1  -12   17   15 o  206.796   6.0426  291.619   16.401  291.404   20.760  291.977   26.755  206.865   7.4055  206.727   9.5504 0.1378021 12.08515 
1 1 1  -12   17   16 o  202.549   5.3860  265.792   13.079  251.408   15.097  309.071   26.187  192.329   5.7923  212.770   9.0821 -20.44110 10.77200 
1 1 1  -12   17   17 f   54.414   9.4109   19.587   6.5039   16.595   7.8093   26.360   11.750   48.231   11.998   60.598   14.502 -12.36637 18.82184 
1 1 1  -12   17   18 o   96.873   6.5022   60.751   7.8448   56.123   9.2501   72.608   14.805   90.770   7.5200  102.975   10.610 -12.20435 13.00449 
1 1 1  -12   17   19 o  111.025   6.1427   82.350   8.5609   79.565   10.241   88.813   15.599  108.113   6.9899  113.937   10.103 -5.824081 12.28550 
1 1 1  -12   17   20 o  188.386   6.0145  238.923   14.994  227.989   19.047  256.739   24.313  182.915   7.6841  193.858   9.2548 -10.94377 12.02902 
1 1 1  -12   17   21 o  156.454   5.5275  159.113   10.627  149.417   12.441  185.273   20.435  148.221   6.1940  164.686   9.1567 -16.46472 11.05494 
1 1 1  -12   17   22 f  128.852   6.0547  116.385   9.5359  120.803   11.392  106.041   17.431  133.262   6.3081  124.442   10.337 8.819687 12.10938 
1 1 1  -12   17   23 o   72.149   7.8757   34.208   7.2465   31.537   8.7212   40.164   13.024   67.916   9.4759   76.382   12.582 -8.466011 15.75146 
1 1 1  -12   17   24 o  108.822   6.5025   81.036   8.6959   81.171   10.325   80.706   16.130  109.178   6.9784  108.467   10.974 0.7117615 13.00495 
1 1 1  -12   17   25 o  193.865   5.6039  254.870   13.150  253.086   15.426  259.617   25.156  192.914   5.9008  194.816   9.5288 -1.902252 11.20788 
1 1 1  -12   17   26 o  100.774   6.7676   67.910   8.5195   65.534   10.150   73.572   15.672   98.039   7.6401  103.509   11.173 -5.470818 13.53525 
1 1 1  -12   17   27 o  118.114   7.0077   96.059   11.011   98.386   14.372   92.752   17.133  119.985   8.8390  116.243   10.877 3.741486 14.01533 
1 1 1  -12   17   28 o  120.239   6.9942   98.274   11.268   94.180   14.736  104.038   17.485  117.327   9.2685  123.150   10.477 -5.822807 13.98848 
1 1 1  -12   17   29 o  322.364   6.1303  698.648   23.596  685.981   27.389  735.114   46.471  317.435   6.3672  327.293   10.478 -9.858063 12.26065 
1 1 1  -12   17   30 f  274.216   5.7988  497.798   19.125  480.246   22.205  548.224   37.638  265.621   6.1689  282.811   9.8208 -17.18942 11.59752 
1 1 1  -12   17   31 o  106.106   6.5789   75.050   8.8310   71.596   10.609   82.840   15.934  102.422   7.6439  109.790   10.710 -7.368103 13.15779 
1 1 1  -12   17   32 o   57.847   10.054   24.703   7.5019   26.217   9.0826   21.453   13.308   60.740   11.455   54.955   16.527 5.784409 20.10808 
1 1 1  -12   17   33 o  147.720   5.9644  154.519   10.825  162.696   13.036  136.356   19.428  154.556   6.2241  140.885   10.176 13.67171 11.92880 
1 1 1  -12   17   34 o   95.958   7.7727   62.918   10.107   62.918   10.107   0.0000   0.0000   95.958   7.7727  ?   ?       ?      ? 
1 1 1  -12   17   35 o   66.071   10.159   30.024   9.0958   30.024   9.0958   0.0000   0.0000   66.071   10.159  ?   ?       ?      ? 
1 1 1  -12   17   36 o  100.532   6.5661   66.600   8.5045   61.004   10.337   78.323   14.962   94.417   8.0789  106.646   10.353 -12.22868 13.13212 
1 1 1  -12   17   37 o  139.453   5.8808  129.965   10.326  124.709   12.370  142.050   18.757  135.175   6.7527  143.730   9.6300 -8.555603 11.76161 
1 1 1  -12   17   38 o   96.437   6.6945   60.484   8.3137   53.629   10.061   75.239   14.761   88.445   8.3944  104.430   10.431 -15.98457 13.38908 
1 1 1  -12   17   39 o   78.104   8.0796   43.510   7.8250   44.983   9.6760   40.727   13.303   80.927   8.8230   75.280   13.538 5.647186 16.15910 
1 1 1  -12   17   40 o   79.565   7.8078   42.210   8.0424   38.630   9.8312   49.454   13.983   74.859   9.6912   84.272   12.244 -9.413086 15.61558 
1 1 1  -12   17   41 o   70.697   8.5037   32.781   7.7010   25.806   9.4820   46.299   13.200   59.858   12.105   81.537   11.946 -21.67852 17.00734 
1 1 1  -12   17   42 o   75.984   9.1902   48.793   8.2020   65.211   10.380   21.498   13.384   97.487   7.8569   54.481   16.616 43.00592 18.38031 
1 1 1  -12   17   43 o   61.915   9.4225   30.944   7.6962   39.877   9.6649   15.462   12.723   75.993   9.3851   47.838   16.342 28.15490 18.84508 
1 1 1  -12   17   44 o   72.996   8.8418   39.734   7.9717   43.869   9.9855   32.469   13.237   79.686   9.2471   66.305   15.073 13.38065 17.68365 
1 1 1  -12   17   45 o  102.142   7.3568   71.783   10.129   64.242   13.539   81.369   15.265   96.117   10.394  108.168   10.414 -12.05061 14.71360 
1 1 1  -12   17   46 o   84.754   9.2286   49.936   10.442   55.859   16.550   46.019   13.460   88.654   13.775   80.854   12.284 7.799927 18.45712 
1 1 1  -12   17   47 f  191.807   6.1017  256.336   15.406  263.290   19.751  245.530   24.621  195.644   7.4497  187.971   9.6656 7.672775 12.20335 
1 1 1  -12   17   48 o   66.172   9.5367   30.998   8.4221   19.706   11.160   45.939   12.837   51.606   15.038   80.738   11.733 -29.13154 19.07335 
1 1 1  -12   17   49 o   73.335   8.0635   37.177   7.7944   34.908   9.8149   41.050   12.825   70.636   10.254   76.033   12.448 -5.396217 16.12695 
1 1 1  -12   17   50 o   64.196   9.2441   29.623   7.5499   27.287   9.4597   33.722   12.531   61.140   11.845   67.253   14.195 -6.112370 18.48820 
1 1 1  -12   17   51 o  137.984   6.8548  131.132   12.818  131.132   12.818   0.0000   0.0000  137.984   6.8548  ?   ?       ?      ? 
1 1 1  -12   17   52 o  110.365   7.5186   84.273   11.245   84.273   11.245   0.0000   0.0000  110.365   7.5186  ?   ?       ?      ? 
1 1 1  -12   17   53 o   62.782   8.8491   25.985   7.2506   16.075   8.9721   44.641   12.310   46.441   13.469   79.123   11.481 -32.68193 17.69825 
1 1 1  -12   17   54 o   44.477   10.219   14.289   7.5003   20.063   9.9864   6.8184   11.360   51.432   13.968   37.523   14.921 13.90896 20.43868 
1 1 1  -12   17   55 o   84.865   6.5651   51.113   7.4509   47.532   11.230   53.929   9.9584   81.889   10.120   87.840   8.3659 -5.951599 13.13025 
1 1 1  -12   17   56 o   49.296   9.7722   20.459   7.3484   6.0742   13.672   26.303   8.7142   38.867   16.033   59.725   11.178 -20.85721 19.54441 
1 1 1  -12   17   57 o   50.348   9.1966   21.940   7.3187   1.8309   13.834   29.756   8.6244   36.005   15.541   64.691   9.8379 -28.68534 18.39319 
1 1 1  -12   17   58 o   56.627   9.4049   28.941   7.4935   8.9974   14.016   36.925   8.8673   41.020   16.485   72.235   9.0586 -31.21498 18.80986 
1 1 1  -12   17   59 o   67.057   7.9877   33.965   6.8642   28.065   10.433   38.467   9.1147   60.502   13.104   73.611   9.1372 -13.10891 15.97547 
1 1 1  -12   17   60 o   67.858   9.8208   36.268   7.8807   33.152   15.203   37.413   9.2155   63.304   17.251   72.412   9.3913 -9.108555 19.64168 
1 1 1  -12   17   61 o   65.318   9.8140   34.872   7.8078   28.078   14.526   37.633   9.2592   58.111   17.219   72.525   9.4212 -14.41383 19.62792 
1 1 1  -12   17   62 o   36.098   9.7115   1.4755   6.6175   19.610   12.669  -5.3291   7.7603   49.403   16.300   22.793   10.563 26.61039 19.42310 
1 1 1  -12   17   63 o   82.233   9.3683   56.314   8.7717   40.855   15.765   63.246   10.557   70.030   16.823   94.437   8.2489 -24.40783 18.73670 
1 1 1  -12   17   64 o   43.872   10.132   15.712   7.2372   6.5050   13.539   19.396   8.5634   37.923   15.824   49.821   12.658 -11.89848 20.26391 
1 1 1  -12   17   65 o   42.557   10.956   10.104   9.0464   24.347   13.648  -1.0585   12.082   53.685   16.849   31.429   14.008 22.25599 21.91132 
1 1 1  -12   17   66 o   55.546   11.939   26.355   10.159   18.335   14.516   34.052   14.222   47.607   17.344   63.485   16.411 -15.87789 23.87763 
1 1 1  -12   17   67 o   44.998   11.683   15.845   9.4331   12.719   13.561   18.775   13.130   42.293   16.458   47.702   16.586 -5.408459 23.36607 
1 1 1  -12   17   68 o   45.157   11.311   15.379   9.1877   6.9400   12.808   24.324   13.187   37.127   15.433   53.186   16.540 -16.05931 22.62218 
1 1 1  -12   17   69 o   46.198   16.771   17.666   13.556   17.666   13.556   0.0000   0.0000   46.198   16.771  ?   ?       ?      ? 
1 1 1  -12   17   71 o   37.911   15.368   9.2463   12.295   9.2463   12.295   0.0000   0.0000   37.911   15.368  ?   ?       ?      ? 
1 1 1  -12   17   72 o   37.804   15.326   9.5043   12.229   9.5043   12.229   0.0000   0.0000   37.804   15.326  ?   ?       ?      ? 
1 1 1  -12   17   73 f   58.713   16.549   31.645   13.733   31.645   13.733   0.0000   0.0000   58.713   16.549  ?   ?       ?      ? 
1 1 1  -12   17   74 o   35.196   14.798   7.1171   11.977   7.1171   11.977   0.0000   0.0000   35.196   14.798  ?   ?       ?      ? 
1 1 1  -12   17   75 o   40.214   15.738   13.637   12.455   13.637   12.455   0.0000   0.0000   40.214   15.738  ?   ?       ?      ? 
1 1 1  -12   18    1 o   94.300   6.6509   60.088   8.3806   56.452   10.847   65.472   13.200   90.866   8.8093   97.733   9.9665 -6.867393 13.30172 
1 1 1  -12   18    2 o  252.754   5.1387  436.563   17.555  455.863   24.338  415.629   25.347  258.659   6.9435  246.849   7.5772 11.80936 10.27746 
1 1 1  -12   18    3 o  114.585   5.8660   90.797   8.9871   99.632   12.176   80.222   13.320  120.876   7.4332  108.295   9.0767 12.58036 11.73196 
1 1 1  -12   18    4 o   96.964   6.2469   65.032   8.0893   69.948   10.834   58.839   12.161  101.240   7.8968   92.688   9.6817 8.552742 12.49376 
1 1 1  -12   18    5 f   35.296   9.3456   6.4984   6.0861   8.5199   7.9485   3.6335   9.4622   37.048   12.904   33.544   13.522 3.504032 18.69117 
1 1 1  -12   18    6 o   38.617   9.1806   9.0639   6.2002   14.819   8.1920   1.3467   9.4866   45.677   12.749   31.557   13.213 14.11958 18.36110 
1 1 1  -12   18    7 o   30.270   9.5885  -2.1972   7.0707   0.9575   7.8538 -15.6917   16.244   28.620   12.005   31.921   14.954 -3.301214 19.17704 
1 1 1  -12   18    8 o  109.917   7.8490   79.602   10.090   76.435   11.534   89.930   20.829  105.817   8.0431  114.017   13.481 -8.199936 15.69794 
1 1 1  -12   18    9 o  119.001   8.3471  107.148   11.168  117.024   13.016   79.579   21.745  131.013   7.3311  106.989   14.998 24.02390 16.69421 
1 1 1  -12   18   10 o  252.468   5.1289  434.483   17.529  433.602   24.229  435.450   25.391  252.234   7.0885  252.702   7.4145 -0.4678345 10.25777 
1 1 1  -12   18   11 o   96.902   7.1619   67.709   8.1241   71.486   9.5235   57.613   15.569  102.434   6.8607   91.371   12.574 11.06300 14.32373 
1 1 1  -12   18   12 o  167.876   5.7854  192.545   11.527  192.639   13.397  192.277   22.624  168.273   5.8749  167.479   9.9684 0.7940826 11.57082 
1 1 1  -12   18   13 o  138.140   7.9338  130.265   14.852  130.265   14.852   0.0000   0.0000  138.140   7.9338  ?   ?       ?      ? 
1 1 1  -12   18   14 o  134.861   7.9986  124.179   14.618  124.179   14.618   0.0000   0.0000  134.861   7.9986  ?   ?       ?      ? 
1 1 1  -12   18   15 o  120.483   6.2993   98.743   8.9997   98.146   10.438  100.473   17.766  120.054   6.4159  120.913   10.843 -0.8583679 12.59860 
1 1 1  -12   18   16 o  116.394   6.2162   90.428   8.6843   87.945   10.089   97.529   17.061  113.628   6.5521  119.160   10.566 -5.531265 12.43242 
1 1 1  -12   18   17 o  155.153   5.7301  161.913   10.654  159.090   12.394  169.902   20.852  152.889   5.9822  157.416   9.7750 -4.526352 11.46028 
1 1 1  -12   18   18 o  129.661   6.1804  119.333   9.6076  124.877   11.372  105.512   17.957  135.428   6.1966  123.893   10.695 11.53538 12.36075 
1 1 1  -12   18   19 o   97.046   6.8657   65.698   8.1057   67.199   9.6160   62.014   15.066   99.261   7.1488   94.831   11.724 4.430016 13.73140 
1 1 1  -12   18   20 o   76.422   8.4698   43.546   7.5514   47.303   9.0660   35.035   13.646   83.200   8.0409   69.643   14.910 13.55694 16.93965 
1 1 1  -12   18   21 o   67.231   9.2974   36.385   7.4337   42.709   8.9091   21.893   13.487   79.026   8.3192   55.435   16.630 23.59150 18.59477 
1 1 1  -12   18   22 o  191.472   6.0550  245.748   15.277  230.145   19.207  272.621   25.206  183.548   7.7221  199.396   9.3285 -15.84874 12.11001 
1 1 1  -12   18   23 o  126.699   6.7991  111.826   11.388  118.880   14.862  101.798   17.721  131.815   8.3202  121.583   10.756 10.23202 13.59812 
1 1 1  -12   18   24 o  143.237   5.9495  140.229   10.450  139.940   12.378  140.945   19.496  143.291   6.3746  143.184   10.048 0.1074371 11.89910 
1 1 1  -12   18   25 o   49.185   9.7169   18.802   7.0771   24.079   8.4884   6.7724   12.817   58.141   11.180   40.228   15.896 17.91265 19.43380 
1 1 1  -12   18   26 o  117.781   6.1529   92.554   9.0307   88.851   10.728  101.559   16.729  114.092   6.9387  121.470   10.163 -7.377373 12.30580 
1 1 1  -12   18   27 f  139.191   5.8807  129.968   10.143  126.093   12.026  139.522   18.883  135.959   6.5271  142.423   9.7840 -6.463440 11.76137 
1 1 1  -12   18   28 o  122.107   6.2275  101.152   9.4008   99.515   11.162  105.148   17.437  120.732   6.8224  123.482   10.420 -2.749992 12.45498 
1 1 1  -12   18   29 o   74.027   7.9280   34.913   7.5450   29.034   9.0803   48.024   13.561   64.877   10.328   83.177   12.031 -18.29946 15.85601 
1 1 1  -12   18   30 o   39.349   13.139   10.288   8.2228   10.288   8.2228   0.0000   0.0000   39.349   13.139  ?   ?       ?      ? 
1 1 1  -12   18   31 o   63.016   10.461   27.441   8.9335   27.441   8.9335   0.0000   0.0000   63.016   10.461  ?   ?       ?      ? 
1 1 1  -12   18   32 o   83.181   7.5439   47.091   7.8777   45.806   9.4447   50.030   14.281   81.662   8.5347   84.700   12.442 -3.038635 15.08786 
1 1 1  -12   18   33 o   75.067   8.0297   36.790   7.6769   32.729   9.1876   46.185   13.974   68.848   9.8475   81.285   12.686 -12.43683 16.05931 
1 1 1  -12   18   34 o  120.193   6.4599  102.408   9.5917  107.013   11.574   92.313   17.138  125.077   6.8286  115.310   10.968 9.766441 12.91974 
1 1 1  -12   18   35 o   40.296   10.247   9.6812   6.8912   8.7456   8.5626   11.401   11.610   37.581   13.367   43.010   15.535 -5.429302 20.49444 
1 1 1  -12   18   36 o   88.899   7.1029   52.230   8.1415   47.109   9.8866   63.018   14.351   82.667   8.8253   95.131   11.132 -12.46458 14.20584 
1 1 1  -12   18   37 f   91.664   7.6584   59.305   9.2485   62.482   11.974   54.606   14.561   95.073   9.2938   88.256   12.175 6.817787 15.31688 
1 1 1  -12   18   38 o   46.867   9.3949   15.084   7.6597   27.720   10.079  -2.1870   11.784   61.783   12.469   31.951   14.057 29.83170 18.78986 
1 1 1  -12   18   39 o   79.274   8.0012   42.864   8.4798   37.095   10.960   51.467   13.384   72.845   11.103   85.703   11.524 -12.85786 16.00245 
1 1 1  -12   18   40 o   46.498   10.310   15.549   7.4699   19.883   9.9693   10.001   11.280   51.918   13.895   41.078   15.234 10.84005 20.61950 
1 1 1  -12   18   41 o   83.539   8.7929   51.454   9.3517   62.477   12.780   38.747   13.721   94.698   9.9584   72.380   14.495 22.31828 17.58585 
1 1 1  -12   18   42 o   96.462   7.5936   63.511   9.7178   47.952   12.752   85.062   15.008   82.533   11.402  110.392   10.032 -27.85973 15.18711 
1 1 1  -12   18   43 o  147.652   5.8994  148.547   10.951  144.587   13.148  157.520   19.790  145.057   6.6885  150.246   9.7198 -5.188919 11.79877 
1 1 1  -12   18   44 o   64.581   8.9526   28.118   7.5057   21.096   9.3366   40.947   12.620   53.304   13.034   75.857   12.276 -22.55293 17.90521 
1 1 1  -12   18   45 o  106.308   6.5892   78.413   8.9214   77.452   10.877   80.390   15.594  105.851   7.5832  106.766   10.778 -0.9150620 13.17843 
1 1 1  -12   18   46 o   51.285   10.018   18.030   7.1253   12.581   8.8890   27.824   11.918   41.979   13.644   60.592   14.671 -18.61322 20.03502 
1 1 1  -12   18   47 o  116.396   6.3082   91.468   9.2534   86.301   11.066  103.483   16.873  111.693   7.3110  121.098   10.282 -9.404892 12.61632 
1 1 1  -12   18   48 o   40.120   13.281   11.409   8.4082   11.409   8.4082   0.0000   0.0000   40.120   13.281  ?   ?       ?      ? 
1 1 1  -12   18   49 o   45.214   10.049   15.572   6.9848   18.495   8.6700   10.165   11.790   49.577   12.812   40.851   15.485 8.726315 20.09852 
1 1 1  -12   18   50 o   43.450   10.601   12.397   7.9219   5.9224   10.825   19.864   11.625   36.051   14.488   50.849   15.481 -14.79785 21.20269 
1 1 1  -12   18   51 o   62.704   10.215   30.134   8.4857   27.542   11.502   33.230   12.570   59.735   14.382   65.673   14.511 -5.937302 20.43040 
1 1 1  -12   18   52 o   37.848   9.6256   5.0721   7.7173  -9.7353   11.075   19.049   10.760   26.068   12.256   49.627   14.846 -23.55923 19.25114 
1 1 1  -12   18   53 o   43.424   10.793   13.657   7.8752   13.166   11.389   14.106   10.901   43.027   15.404   43.821   15.120 -0.7939644 21.58532 
1 1 1  -12   18   54 o   39.173   9.9598   10.595   6.6315   11.170   8.3397   9.6051   10.936   39.259   13.231   39.087   14.890 0.1720619 19.91966 
1 1 1  -12   18   55 o   64.635   8.6611   28.697   7.1593   22.513   8.7203   41.482   12.539   54.377   12.141   74.893   12.355 -20.51631 17.32211 
1 1 1  -12   18   56 o   70.075   9.1059   40.599   7.5755   46.282   9.2046   28.668   13.336   80.882   8.3979   59.267   16.160 21.61456 18.21185 
1 1 1  -12   18   57 o   83.302   8.1334   51.440   9.0555   54.054   12.096   48.107   13.659   86.364   10.335   80.240   12.561 6.124741 16.26684 
1 1 1  -12   18   58 o   55.368   10.120   23.424   8.0030   13.731   10.613   36.201   12.185   42.701   14.909   68.034   13.690 -25.33320 20.24087 
1 1 1  -12   18   59 o   53.441   10.437   23.272   7.8836   26.298   10.754   19.756   11.591   57.503   13.944   49.379   15.533 8.124805 20.87334 
1 1 1  -12   18   60 o   63.759   10.965   34.729   9.5481   25.215   14.773   41.554   12.513   54.372   17.583   73.146   13.105 -18.77451 21.92916 
1 1 1  -12   18   61 o   42.643   9.1780   14.966   7.1938  -6.1346   13.641   23.094   8.4668   30.520   14.094   54.766   11.760 -24.24608 18.35590 
1 1 1  -12   18   62 o   27.027   8.9769 -10.2022   8.3918  -3.0178   12.486 -16.1213   11.333   30.665   13.904   23.389   11.359 7.276175 17.95373 
1 1 1  -12   18   63 o   63.925   11.371   34.670   10.147   24.248   14.180   45.609   14.527   52.960   17.234   74.891   14.839 -21.93130 22.74186 
1 1 1  -12   18   64 o   30.845   9.8068  -1.7962   8.6168   0.5874   12.003  -4.3304   12.377   32.025   14.134   29.665   13.599 2.359318 19.61359 
1 1 1  -12   18   66 o   56.664   16.980   28.670   14.066   28.670   14.066   0.0000   0.0000   56.664   16.980  ?   ?       ?      ? 
1 1 1  -12   18   67 o   59.206   16.814   31.493   14.121   31.493   14.121   0.0000   0.0000   59.206   16.814  ?   ?       ?      ? 
1 1 1  -12   18   68 o   34.324   14.811   4.4248   12.557   4.4248   12.557   0.0000   0.0000   34.324   14.811  ?   ?       ?      ? 
1 1 1  -12   18   69 o   31.091   13.978  -0.0974   12.312  -0.0974   12.312   0.0000   0.0000   31.091   13.978  ?   ?       ?      ? 
1 1 1  -12   18   70 o   42.292   15.954   15.398   12.476   15.398   12.476   0.0000   0.0000   42.292   15.954  ?   ?       ?      ? 
1 1 1  -12   18   71 f   24.683   11.797  -9.6991   11.114  -9.6991   11.114   0.0000   0.0000   24.683   11.797  ?   ?       ?      ? 
1 1 1  -12   18   72 o   33.842   14.534   6.0731   11.983   6.0731   11.983   0.0000   0.0000   33.842   14.534  ?   ?       ?      ? 
1 1 1  -12   19    1 o   36.038   9.8161   5.6900   7.3266   11.687   8.1701 -18.9359   16.556   41.168   13.051   30.908   14.666 10.26006 19.63220 
1 1 1  -12   19    2 o  149.980   6.9386  150.191   12.354  145.304   14.255  164.943   24.766  145.789   7.2152  154.171   11.854 -8.381348 13.87721 
1 1 1  -12   19    3 o  205.880   5.1935  292.426   14.358  322.926   19.788  258.516   20.865  217.473   6.7146  194.288   7.9250 23.18544 10.38710 
1 1 1  -12   19    4 o   65.367   8.5341   30.187   7.2764   30.265   9.4950   30.076   11.326   66.204   10.584   64.529   13.391 1.674309 17.06829 
1 1 1  -12   19    5 o  109.432   6.0219   80.935   8.8540   73.173   11.630   91.637   13.655  103.315   8.3068  115.549   8.7208 -12.23405 12.04390 
1 1 1  -12   19    6 f   74.614   7.8634   37.845   7.5640   27.683   9.8762   52.263   11.764   62.134   12.165   87.093   9.9675 -24.95891 15.72685 
1 1 1  -12   19    7 o  109.608   6.0076   83.026   8.8431   88.554   12.002   76.462   13.079  113.736   7.7872  105.481   9.1500 8.254944 12.01512 
1 1 1  -12   19    8 o   59.401   10.068   25.641   7.9952   26.727   11.582   24.652   11.051   60.591   14.330   58.211   14.147 2.380161 20.13700 
1 1 1  -12   19    9 o  208.496   5.9108  293.323   16.350  320.796   26.391  276.212   20.828  216.092   9.0123  200.900   7.6505 15.19247 11.82163 
1 1 1  -12   19   10 o  153.103   6.2184  161.316   12.689  158.785   19.731  163.102   16.570  151.887   9.5860  154.319   7.9236 -2.431976 12.43679 
1 1 1  -12   19   11 o   53.018   10.596   17.996   7.5038   13.801   8.9460   27.953   13.782   44.319   13.598   61.716   16.254 -17.39717 21.19143 
1 1 1  -12   19   12 o   79.708   8.6755   46.421   8.3161   49.202   10.114   40.616   14.613   84.642   8.8173   74.774   14.944 9.867393 17.35110 
1 1 1  -12   19   13 o   76.349   9.0479   43.475   8.2982   47.334   10.130   35.604   14.469   82.989   9.0074   69.708   15.695 13.28094 18.09572 
1 1 1  -12   19   14 o  127.836   6.3302  108.626   10.321  101.957   12.459  123.211   18.425  122.052   7.5328  133.621   10.175 -11.56887 12.66033 
1 1 1  -12   19   15 o  122.044   6.5749  101.629   10.139  100.109   12.253  104.927   18.052  120.942   7.4765  123.147   10.818 -2.204826 13.14986 
1 1 1  -12   19   16 o  119.914   6.6587   99.860   10.138  101.529   12.408   96.511   17.584  121.781   7.5189  118.047   10.992 3.734062 13.31748 
1 1 1  -12   19   17 o   94.007   8.9361   61.498   11.369   65.157   16.590   58.259   15.610   96.629   12.670   91.385   12.605 5.244530 17.87216 
1 1 1  -12   19   18 o   85.978   10.208   54.822   11.122   35.139   15.885   73.753   15.579   68.833   17.105  103.124   11.148 -34.29114 20.41661 
1 1 1  -12   19   19 o   81.209   9.8806   47.267   10.541   44.849   15.665   49.266   14.249   78.409   15.292   84.009   12.516 -5.600761 19.76111 
1 1 1  -12   19   20 o   70.281   16.351   36.519   15.280   36.519   15.280   0.0000   0.0000   70.281   16.351  ?   ?       ?      ? 
1 1 1  -12   19   21 o  141.523   7.5550  137.268   14.489  137.268   14.489   0.0000   0.0000  141.523   7.5550  ?   ?       ?      ? 
1 1 1  -12   19   22 o   54.617   9.7763   23.204   7.8803   31.127   9.8590   9.1876   13.114   66.968   10.864   42.266   16.257 24.70237 19.55262 
1 1 1  -12   19   23 o  147.530   6.1858  148.296   11.787  144.792   14.533  155.029   20.147  145.349   7.3785  149.710   9.9304 -4.361282 12.37157 
1 1 1  -12   19   24 o   28.976   9.0787  -2.4530   6.8242  -2.1986   8.5398  -2.9025   11.351   26.987   11.915   30.965   13.701 -3.977642 18.15747 
1 1 1  -12   19   25 o   38.637   10.321   8.2464   7.2536   10.064   8.8465   4.5179   12.671   39.369   13.619   37.906   15.512 1.463146 20.64178 
1 1 1  -12   19   26 o   57.242   11.395   23.607   8.5285   23.607   8.5285   0.0000   0.0000   57.242   11.395  ?   ?       ?      ? 
1 1 1  -12   19   27 o  140.363   6.1792  133.381   10.406  130.537   12.108  141.414   20.350  138.118   6.4692  142.608   10.530 -4.489716 12.35844 
1 1 1  -12   19   28 o   79.650   8.2046   45.732   7.8133   46.922   9.3754   43.027   14.137   82.510   8.3849   76.790   14.105 5.720253 16.40911 
1 1 1  -12   19   29 o   67.769   9.0860   34.677   7.4195   37.342   8.9321   28.745   13.325   73.494   8.9685   62.045   15.805 11.44961 18.17200 
1 1 1  -12   19   30 o   76.538   7.6094   37.925   7.4385   32.653   8.9020   50.124   13.541   68.601   9.5758   84.476   11.828 -15.87505 15.21871 
1 1 1  -12   19   31 o   64.912   9.0161   30.569   7.2561   30.998   8.8025   29.658   12.817   66.786   9.7260   63.039   15.184 3.747753 18.03216 
1 1 1  -12   19   32 o  106.490   6.3692   76.524   8.5395   73.172   10.226   84.246   15.521  103.144   7.3164  109.836   10.428 -6.691414 12.73844 
1 1 1  -12   19   33 o   94.467   6.7893   61.355   8.0265   60.169   9.6192   64.074   14.564   93.447   7.5961   95.487   11.255 -2.039795 13.57863 
1 1 1  -12   19   34 o   47.265   9.3585   17.518   6.7709   23.640   8.3819   6.0221   11.487   57.078   11.237   37.453   14.969 19.62431 18.71707 
1 1 1  -12   19   35 o  108.892   6.2781   79.414   8.5964   74.790   10.255   90.345   15.767  104.192   7.2629  113.593   10.243 -9.400978 12.55629 
1 1 1  -12   19   36 o   45.713   10.038   14.431   6.5779   12.546   8.0540   18.207   11.400   41.762   12.917   49.665   15.368 -7.903412 20.07515 
1 1 1  -12   19   37 o   46.946   9.3946   12.502   6.6386   4.1576   8.1481   28.979   11.449   31.638   12.620   62.255   13.921 -30.61650 18.78925 
1 1 1  -12   19   38 o   37.199   10.266   7.0560   7.4578   7.5056   10.015   6.4964   11.174   37.088   14.221   37.309   14.811 -0.2209015 20.53247 
1 1 1  -12   19   39 o   92.573   6.9491   56.849   8.2400   50.647   9.9226   70.627   14.790   85.278   8.5863   99.868   10.929 -14.58981 13.89819 
1 1 1  -12   19   40 o   30.262   9.0678   1.5586   6.3062   2.9553   7.8506  -0.9821   10.588   29.911   12.221   30.613   13.399 -0.7017403 18.13556 
1 1 1  -12   19   41 o   50.040   9.6898   19.837   6.9599   24.151   8.7274   12.300   11.535   57.210   11.653   42.870   15.485 14.34010 19.37958 
1 1 1  -12   19   42 o   60.582   9.6290   26.293   8.1735   14.160   10.818   42.430   12.476   44.385   15.069   76.779   11.991 -32.39380 19.25805 
1 1 1  -12   19   43 o   90.548   8.0257   60.200   9.5425   66.969   12.578   51.023   14.647   97.430   9.5269   83.665   12.918 13.76432 16.05145 
1 1 1  -12   19   44 o   68.094   12.976   34.809   11.537   34.809   11.537   0.0000   0.0000   68.094   12.976  ?   ?       ?      ? 
1 1 1  -12   19   45 o   54.085   14.380   22.633   10.721   22.633   10.721   0.0000   0.0000   54.085   14.380  ?   ?       ?      ? 
1 1 1  -12   19   46 o   84.900   7.3377   50.018   7.9853   46.908   9.7010   56.555   14.063   81.577   8.7753   88.222   11.763 -6.645096 14.67547 
1 1 1  -12   19   47 o   27.202   8.4827  -1.7305   6.2680   2.3258   7.8856  -8.6912   10.330   29.023   12.091   25.380   11.901 3.643114 16.96538 
1 1 1  -12   19   48 o   77.408   7.6382   39.734   7.6026   32.592   9.1505   55.652   13.661   67.451   10.011   87.366   11.539 -19.91505 15.27634 
1 1 1  -12   19   49 o   33.328   9.3483   5.1646   6.6219   9.4525   8.1590  -3.1110   11.335   36.939   13.058   29.717   13.381 7.222244 18.69655 
1 1 1  -12   19   50 o   70.100   8.5600   36.187   7.3524   35.200   8.8631   38.367   13.166   70.216   9.3146   69.983   14.364 0.2332687 17.12003 
1 1 1  -12   19   51 o   40.985   9.5964   12.946   6.6424   17.196   8.0750   4.0532   11.681   47.222   12.444   34.748   14.612 12.47319 19.19274 
1 1 1  -12   19   52 o   43.205   10.070   14.687   6.9035   17.124   8.3518   9.4302   12.266   46.948   12.783   39.462   15.564 7.485985 20.14099 
1 1 1  -12   19   53 o   49.669   10.769   19.171   7.8934   15.286   10.253   24.825   12.368   44.337   14.666   55.001   15.775 -10.66309 21.53872 
1 1 1  -12   19   54 o   38.226   9.9457   8.3149   7.6278   17.321   10.403  -2.1554   11.217   46.637   14.721   29.816   13.378 16.82084 19.89145 
1 1 1  -12   19   55 o   86.709   8.1465   55.473   9.4144   53.611   12.190   58.225   14.819   85.561   10.514   87.858   12.447 -2.296936 16.29309 
1 1 1  -12   19   56 o   58.130   10.351   28.737   8.4252   35.671   11.056   19.136   13.011   67.944   12.468   48.317   16.525 19.62683 20.70104 
1 1 1  -12   19   57 o   82.827   8.6763   49.172   9.2050   36.353   11.595   71.027   15.139   68.118   13.036   97.536   11.454 -29.41769 17.35251 
1 1 1  -12   19   58 o   32.540   9.7340   3.5107   7.4152   5.2228   9.7876   1.2039   11.361   33.243   13.621   31.837   13.909 1.405899 19.46797 
1 1 1  -12   19   59 o   38.865   14.256   11.059   9.8321   11.059   9.8321   0.0000   0.0000   38.865   14.256  ?   ?       ?      ? 
1 1 1  -12   19   62 o   55.578   17.366   28.102   14.517   28.102   14.517   0.0000   0.0000   55.578   17.366  ?   ?       ?      ? 
1 1 1  -12   19   63 o   36.675   15.372   7.3333   12.860   7.3333   12.860   0.0000   0.0000   36.675   15.372  ?   ?       ?      ? 
1 1 1  -12   19   64 o   55.622   17.122   28.754   14.171   28.754   14.171   0.0000   0.0000   55.622   17.122  ?   ?       ?      ? 
1 1 1  -12   19   65 o   40.223   15.922   12.649   12.881   12.649   12.881   0.0000   0.0000   40.223   15.922  ?   ?       ?      ? 
1 1 1  -12   19   66 o   45.962   16.588   19.548   13.234   19.548   13.234   0.0000   0.0000   45.962   16.588  ?   ?       ?      ? 
1 1 1  -12   19   67 o   57.344   17.226   32.282   14.463   32.282   14.463   0.0000   0.0000   57.344   17.226  ?   ?       ?      ? 
1 1 1  -12   19   68 o   23.596   11.413 -12.1099   11.145 -12.1099   11.145   0.0000   0.0000   23.596   11.413  ?   ?       ?      ? 
1 1 1  -12   20    1 f  103.220   7.2004   73.683   9.2850   72.911   11.136   75.444   16.817  102.869   7.9888  103.571   11.982 -0.7025604 14.40073 
1 1 1  -12   20    2 o  102.259   7.5443   76.186   9.4343   81.364   11.397   64.911   16.817  108.731   7.7348   95.787   12.955 12.94344 15.08859 
1 1 1  -12   20    3 o   67.155   9.6144   40.543   8.3374   54.176   10.143   12.133   14.641   88.596   8.4479   45.714   17.274 42.88177 19.22881 
1 1 1  -12   20    4 f  118.986   6.7991   98.634   10.183   99.346   12.343   97.116   18.021  120.191   7.5780  117.780   11.291 2.410957 13.59811 
1 1 1  -12   20    5 o   41.661   10.453   11.182   7.0874   11.992   8.4843   9.3130   12.893   41.438   13.317   41.885   16.117 -0.4465332 20.90682 
1 1 1  -12   20    6 o   30.115   8.9609   1.0327   6.3347   4.2030   8.1654  -3.7600   10.039   31.928   12.665   28.302   12.680 3.625828 17.92187 
1 1 1  -12   20    7 o   41.462   10.002   11.547   6.7002   12.106   8.7659   10.761   10.391   41.725   13.549   41.199   14.718 0.5263252 20.00467 
1 1 1  -12   20    8 o  117.580   5.8996   96.899   9.2388  112.000   12.717   80.022   13.444  127.672   7.3504  107.488   9.2300 20.18420 11.79917 
1 1 1  -12   20    9 o   72.592   8.1714   38.763   7.5496   46.526   10.195   29.338   11.233   81.967   9.1787   63.217   13.522 18.75025 16.34289 
1 1 1  -12   20   10 o   95.052   7.9195   66.790   9.3315   73.966   11.533   53.187   15.879  103.566   8.2177   86.538   13.540 17.02853 15.83900 
1 1 1  -12   20   11 o  101.660   7.1438   74.207   8.3874   76.539   9.7103   67.353   16.645  105.642   6.7829   97.679   12.575 7.963402 14.28770 
1 1 1  -12   20   12 o  106.154   7.3431   78.345   10.126   77.827   12.632   79.275   16.939  106.087   8.7869  106.222   11.767 -0.1353912 14.68613 
1 1 1  -12   20   13 o   63.611   10.181   29.979   8.3775   30.184   10.616   29.641   13.638   64.379   12.620   62.842   15.979 1.537125 20.36164 
1 1 1  -12   20   14 o   61.212   9.1729   34.051   7.2678   43.774   8.5940   9.6384   13.618   79.692   7.9578   42.732   16.530 36.96065 18.34586 
1 1 1  -12   20   15 o  200.416   5.7293  274.032   13.560  270.881   15.679  283.380   27.005  199.021   5.8137  201.812   9.8743 -2.790970 11.45867 
1 1 1  -12   20   16 o   54.514   9.9461   22.002   6.7951   22.382   7.8864   20.909   13.388   55.689   10.840   53.338   16.679 2.350552 19.89223 
1 1 1  -12   20   17 o  109.722   6.3701   80.772   8.4485   77.664   9.8390   89.496   16.484  106.360   6.8264  113.084   10.757 -6.724213 12.74010 
1 1 1  -12   20   18 o   88.698   7.1184   53.990   7.6491   52.919   8.9611   56.863   14.683   87.657   7.5438   89.738   12.074 -2.080833 14.23679 
1 1 1  -12   20   19 o   87.639   7.2054   48.617   7.5961   43.420   8.7154   65.039   15.494   79.288   8.1114   95.990   11.911 -16.70257 14.41089 
1 1 1  -12   20   20 o   68.770   9.2687   37.425   7.2020   40.686   8.3596   28.038   14.185   76.749   8.0377   60.790   16.704 15.95953 18.53740 
1 1 1  -12   20   21 o   28.977   11.727   2.8723   7.1459   2.8723   7.1459   0.0000   0.0000   28.977   11.727  ?   ?       ?      ? 
1 1 1  -12   20   22 o   70.087   8.9530   34.120   8.5032   34.120   8.5032   0.0000   0.0000   70.087   8.9530  ?   ?       ?      ? 
1 1 1  -12   20   23 o   76.106   8.9161   46.470   7.6301   52.319   9.0671   32.278   14.124   87.051   7.6861   65.161   16.091 21.89061 17.83213 
1 1 1  -12   20   24 o   65.021   8.9493   28.574   7.0317   25.811   8.2327   36.026   13.521   60.729   10.004   69.313   14.842 -8.584419 17.89869 
1 1 1  -12   20   25 o   44.763   10.225   13.584   6.5879   12.299   7.8231   16.718   12.216   41.326   12.722   48.200   16.011 -6.873543 20.44954 
1 1 1  -12   20   26 o   32.635   9.6126   2.4896   6.5628   1.5493   7.8739   4.6292   11.877   28.709   12.031   36.561   14.996 -7.851774 19.22528 
1 1 1  -12   20   27 o   72.630   11.773   37.511   11.588   37.511   11.588   0.0000   0.0000   72.630   11.773  ?   ?       ?      ? 
1 1 1  -12   20   28 o   50.467   17.830   18.071   15.209   18.071   15.209   0.0000   0.0000   50.467   17.830  ?   ?       ?      ? 
1 1 1  -12   20   29 f   34.074   9.4554   4.1129   6.9752   10.691   9.1340  -5.0910   10.804   39.764   13.834   28.383   12.894 11.38140 18.91083 
1 1 1  -12   20   30 o   40.374   10.252   10.741   7.1148   11.809   9.2502   9.1942   11.133   41.121   13.934   39.626   15.041 1.495308 20.50389 
1 1 1  -12   20   31 f   61.191   9.8217   27.162   7.8206   22.665   9.9346   34.489   12.682   54.840   13.467   67.541   14.301 -12.70090 19.64341 
1 1 1  -12   20   32 o   52.568   10.375   20.738   7.5998   18.720   9.9572   23.555   11.762   49.758   14.115   55.378   15.209 -5.620480 20.74924 
1 1 1  -12   20   33 o   74.062   11.013   43.628   10.711   32.463   16.672   51.475   13.976   63.644   18.333   84.479   12.209 -20.83437 22.02587 
1 1 1  -12   20   34 o   48.840   11.905   16.837   9.3204   21.621   15.288   14.007   11.759   53.127   17.914   44.552   15.684 8.574818 23.80978 
1 1 1  -12   20   35 o   52.869   9.6609   19.396   6.7278   14.796   8.2006   28.864   11.766   44.440   12.874   61.297   14.408 -16.85743 19.32188 
1 1 1  -12   20   36 o   33.819   8.9790   5.8184   6.2223   11.471   7.7101  -4.7387   10.537   39.698   12.688   27.940   12.708 11.75814 17.95802 
1 1 1  -12   20   37 o   51.292   9.6159   18.002   6.5334   13.291   7.9003   28.194   11.621   42.206   12.743   60.377   14.404 -18.17035 19.23180 
1 1 1  -12   20   38 o   29.227   8.9002  -0.2142   6.1040  -2.5068   7.5166   4.2256   10.460   24.450   10.962   34.004   14.025 -9.554678 17.80034 
1 1 1  -12   20   39 o   94.768   7.0842   65.382   8.2752   67.412   9.9555   60.843   14.885   98.275   7.4755   91.261   12.036 7.014046 14.16839 
1 1 1  -12   20   40 o   54.951   11.906   22.787   8.6095   22.787   8.6095   0.0000   0.0000   54.951   11.906  ?   ?       ?      ? 
1 1 1  -12   20   41 o   38.873   13.211   10.892   8.3154   10.892   8.3154   0.0000   0.0000   38.873   13.211  ?   ?       ?      ? 
1 1 1  -12   20   42 o   65.771   8.9881   32.605   7.3212   32.600   8.8860   32.617   12.918   67.483   9.7170   64.060   15.124 3.422943 17.97624 
1 1 1  -12   20   43 o  108.392   6.4993   75.974   8.7924   65.139   10.304  104.994   16.863   96.209   7.9032  120.575   10.320 -24.36601 12.99869 
1 1 1  -12   20   44 o   32.434   9.2400   4.3284   6.5992   8.8331   8.1211  -4.4289   11.323   36.032   12.996   28.836   13.138 7.196033 18.48006 
1 1 1  -12   20   45 o   47.242   9.1947   18.988   7.0653   27.093   8.6527   2.7741   12.239   60.134   11.024   34.349   14.718 25.78591 18.38938 
1 1 1  -12   20   46 o   53.228   9.9033   23.123   7.0853   24.891   8.6443   19.505   12.368   57.270   11.537   49.187   16.100 8.083363 19.80665 
1 1 1  -12   20   47 o   48.848   9.8543   19.793   6.8257   22.266   8.1944   14.188   12.336   54.035   11.542   43.661   15.976 10.37413 19.70869 
1 1 1  -12   20   48 o   53.689   9.5179   18.801   6.8965   10.380   8.2648   38.110   12.514   37.777   13.158   69.601   13.756 -31.82455 19.03577 
1 1 1  -12   20   49 o   42.621   10.637   12.498   7.8215   6.8063   10.226   20.522   12.141   35.281   14.115   49.962   15.917 -14.68144 21.27437 
1 1 1  -12   20   50 o   35.712   10.041   7.2198   7.3532   9.5714   9.6874   4.0231   11.295   37.499   14.076   33.925   14.322 3.573967 20.08148 
1 1 1  -12   20   51 o   48.628   10.302   19.604   7.9827   27.134   10.543   9.4859   12.220   58.295   13.596   38.961   15.482 19.33447 20.60396 
1 1 1  -12   20   52 o   45.122   10.331   14.689   7.5830   7.1762   9.9220   25.240   11.758   35.151   13.956   55.093   15.237 -19.94239 20.66234 
1 1 1  -12   20   53 o   58.974   10.480   29.191   8.3264   31.334   10.749   25.976   13.166   62.928   13.034   55.021   16.414 7.906376 20.95941 
1 1 1  -12   20   54 o   26.855   8.5453  -4.2910   6.9637   3.0186   9.3103 -13.5733   10.492   30.723   12.989   22.987   11.108 7.736399 17.09054 
1 1 1  -12   20   57 o   44.709   16.590   16.698   13.380   16.698   13.380   0.0000   0.0000   44.709   16.590  ?   ?       ?      ? 
1 1 1  -12   20   58 o   28.619   13.363  -6.4673   12.790  -6.4673   12.790   0.0000   0.0000   28.619   13.363  ?   ?       ?      ? 
1 1 1  -12   20   59 o   30.249   13.801  -2.2674   12.551  -2.2674   12.551   0.0000   0.0000   30.249   13.801  ?   ?       ?      ? 
1 1 1  -12   20   60 o   34.654   14.979   5.0857   12.890   5.0857   12.890   0.0000   0.0000   34.654   14.979  ?   ?       ?      ? 
1 1 1  -12   20   61 o   46.109   16.747   19.726   13.520   19.726   13.520   0.0000   0.0000   46.109   16.747  ?   ?       ?      ? 
1 1 1  -12   20   62 o   26.389   12.473  -7.4470   11.754  -7.4470   11.754   0.0000   0.0000   26.389   12.473  ?   ?       ?      ? 
1 1 1  -12   20   63 o   33.802   14.640   5.6221   12.360   5.6221   12.360   0.0000   0.0000   33.802   14.640  ?   ?       ?      ? 
1 1 1  -12   20   64 o   34.457   14.922   6.6856   12.841   6.6856   12.841   0.0000   0.0000   34.457   14.922  ?   ?       ?      ? 
1 1 1  -12   21    1 o   77.599   7.5478   44.484   7.4402   51.413   9.8934   35.464   11.288   85.868   8.5022   69.330   12.474 16.53748 15.09557 
1 1 1  -12   21    2 o   41.922   9.3800   12.884   6.2454   16.786   8.0875   7.1209   9.8300   47.459   12.428   36.385   14.053 11.07431 18.75991 
1 1 1  -12   21    3 o   31.272   9.1007   3.1353   6.1382   4.2134   7.8272   1.4133   9.8924   31.149   12.386   31.395   13.337 -0.2458935 18.20146 
1 1 1  -12   21    4 o   49.861   9.0077   16.071   6.5822   6.3935   8.3668   31.786   10.662   34.135   13.019   65.587   12.452 -31.45183 18.01536 
1 1 1  -12   21    5 o  123.270   7.1571  108.332   11.465  102.532   18.792  111.772   14.471  119.875   11.568  126.665   8.4306 -6.789917 14.31427 
1 1 1  -12   21    6 o   47.730   11.218   16.205   8.2544   18.937   13.609   14.615   10.382   50.548   16.903   44.913   14.753 5.634590 22.43550 
1 1 1  -12   21    7 o  105.416   7.9593   81.563   10.684   70.631   17.737   87.789   13.384   98.717   13.259  112.115   8.8096 -13.39780 15.91862 
1 1 1  -12   21    8 o   29.053   8.7362   0.4558   6.1969   4.1890   7.9913  -5.1750   9.8144   31.339   12.499   26.766   12.209 4.572807 17.47231 
1 1 1  -12   21    9 o   48.602   8.2710   17.772   6.6881   31.073   8.8353  -0.0783   10.235   66.458   9.8105   30.745   13.319 35.71208 16.54203 
1 1 1  -12   21   10 o   52.668   9.7791   16.295   6.3372   11.429   7.2018   32.988   13.339   39.713   12.203   65.623   15.284 -25.91047 19.55820 
1 1 1  -12   21   11 o   95.544   7.1958   63.632   7.9058   62.919   9.0390   65.952   16.308   95.430   6.9896   95.658   12.580 -0.2278976 14.39152 
1 1 1  -12   21   12 o   73.570   8.3209   36.174   7.0155   33.257   8.0082   45.798   14.548   69.041   8.5594   78.098   14.272 -9.057159 16.64181 
1 1 1  -12   21   13 o   47.596   9.7460   11.451   6.0696   6.2202   6.8535   30.471   13.069   32.279   11.893   62.913   15.443 -30.63419 19.49209 
1 1 1  -12   21   14 f   31.731   9.1815   3.9419   5.9145   6.1514   6.7310  -3.5430   12.389   32.052   11.790   31.410   14.078 0.6425953 18.36304 
1 1 1  -12   21   15 o   88.153   7.3178   53.832   8.7418   53.832   8.7418   0.0000   0.0000   88.153   7.3178  ?   ?       ?      ? 
1 1 1  -12   21   16 o   38.921   12.247   10.924   7.2056   10.924   7.2056   0.0000   0.0000   38.921   12.247  ?   ?       ?      ? 
1 1 1  -12   21   17 o   35.469   9.8578   6.5753   6.1429   7.2836   6.9227   3.9524   13.322   33.688   12.015   37.250   15.631 -3.561665 19.71550 
1 1 1  -12   21   18 o   45.137   10.003   14.813   6.3190   14.834   7.3615   14.756   12.318   44.633   11.938   45.641   16.054 -1.008049 20.00644 
1 1 1  -12   21   19 o  102.589   6.5228   70.516   8.1659   66.272   9.5300   82.241   15.840   97.785   7.1917  107.392   10.884 -9.606789 13.04556 
1 1 1  -12   21   20 o   79.452   7.4383   41.021   7.2861   36.140   8.4829   54.752   14.228   71.815   8.7166   87.088   12.056 -15.27329 14.87665 
1 1 1  -12   21   21 f   46.494   9.5154   17.425   6.4728   20.856   7.6622   8.8764   12.096   53.162   10.999   39.826   15.531 13.33580 19.03072 
1 1 1  -12   21   22 o   34.060   9.3458   6.3490   6.0230   8.3435   7.0967   1.2124   11.389   35.150   12.196   32.970   14.165 2.180714 18.69164 
1 1 1  -12   21   23 o   45.949   10.011   15.042   6.3056   13.966   7.3828   17.944   12.124   43.227   12.116   48.672   15.940 -5.444843 20.02227 
1 1 1  -12   21   24 o   54.036   9.3020   24.468   6.7054   28.724   7.8934   13.433   12.709   63.826   9.1261   44.247   16.212 19.57861 18.60407 
1 1 1  -12   21   25 o  108.210   6.8466   87.848   8.6926   93.921   10.273   72.535   16.313  116.510   6.5063   99.909   12.049 16.60120 13.69311 
1 1 1  -12   21   26 o   30.932   8.9070   3.1971   6.1500   7.3854   7.3501  -6.5806   11.230   33.999   12.348   27.864   12.840 6.134512 17.81404 
1 1 1  -12   21   27 o   49.438   9.6116   20.126   6.6259   23.249   7.8170   12.157   12.488   56.140   10.665   42.735   15.994 13.40471 19.22329 
1 1 1  -12   21   28 o  104.419   6.4273   65.335   8.2090   51.460   9.4419  108.300   16.615   85.641   8.1357  123.196   9.9524 -37.55459 12.85457 
1 1 1  -12   21   29 f   81.873   9.2771   53.650   9.2769   65.026   12.025   36.929   14.580   95.729   9.2698   68.018   16.073 27.71070 18.55415 
1 1 1  -12   21   30 o   73.253   9.4133   41.516   8.8782   46.548   11.721   34.742   13.599   80.302   10.771   66.204   15.441 14.09856 18.82662 
1 1 1  -12   21   31 o   37.482   9.6716   6.5184   6.1369   2.2251   7.2863   16.998   11.384   28.001   11.640   46.962   15.449 -18.96100 19.34329 
1 1 1  -12   21   32 o   52.293   9.2439   22.262   6.5839   25.630   7.9572   14.951   11.724   59.822   9.8157   44.764   15.667 15.05832 18.48790 
1 1 1  -12   21   33 o   44.609   10.186   14.877   6.6327   14.513   7.9072   15.742   12.184   43.582   12.646   45.636   15.971 -2.054432 20.37178 
1 1 1  -12   21   34 o   47.449   11.186   17.156   8.2321   15.490   10.412   19.935   13.444   44.896   14.776   50.003   16.799 -5.106281 22.37277 
1 1 1  -12   21   35 f   23.879   11.294  -9.3200   9.6647  -9.3200   9.6647   0.0000   0.0000   23.879   11.294  ?   ?       ?      ? 
1 1 1  -12   21   36 f   53.273   11.905   21.678   8.3781   21.678   8.3781   0.0000   0.0000   53.273   11.905  ?   ?       ?      ? 
1 1 1  -12   21   37 f   37.112   12.946   9.8311   8.0025   9.8311   8.0025   0.0000   0.0000   37.112   12.946  ?   ?       ?      ? 
1 1 1  -12   21   38 o   83.990   7.4259   50.855   7.7243   50.082   9.2171   52.679   14.157   84.122   8.0854   83.858   12.458 0.2647629 14.85185 
1 1 1  -12   21   39 o   66.906   8.7763   33.794   7.1935   33.419   8.6713   34.622   12.883   68.172   9.3864   65.640   14.832 2.531647 17.55260 
1 1 1  -12   21   40 o   31.142   9.2472   2.2571   6.2178   0.1163   7.5352   6.8250   11.007   26.226   11.395   36.059   14.567 -9.832533 18.49436 
1 1 1  -12   21   41 o   31.167   8.9077   3.5480   6.3279   8.7814   7.8208  -6.3731   10.768   35.517   12.760   26.817   12.433 8.700567 17.81549 
1 1 1  -12   21   42 o   68.199   8.8137   34.863   7.3525   33.666   8.8228   37.584   13.302   68.217   9.5440   68.182   14.820 0.3506470E-01 17.62733 
1 1 1  -12   21   43 o   46.812   10.375   16.858   6.9121   15.381   8.2985   20.203   12.491   44.213   12.992   49.411   16.180 -5.197620 20.74997 
1 1 1  -12   21   44 o   31.479   9.2450   3.8101   6.5404   6.7255   7.9648  -2.2257   11.460   33.075   12.682   29.884   13.455 3.191050 18.48992 
1 1 1  -12   21   45 o   45.242   10.266   16.351   6.8647   16.571   8.2533   15.857   12.365   45.748   12.806   44.736   16.047 1.011707 20.53106 
1 1 1  -12   21   46 o   75.147   9.1923   44.531   8.8842   47.258   11.602   40.665   13.814   79.848   10.722   70.446   14.934 9.402168 18.38466 
1 1 1  -12   21   47 o   52.132   10.516   20.382   8.1076   11.272   10.312   35.133   13.121   39.263   14.565   65.001   15.172 -25.73804 21.03168 
1 1 1  -12   21   48 o   41.479   11.188   12.673   8.9892   7.1265   13.878   16.682   11.799   37.853   15.923   45.104   15.721 -7.250858 22.37591 
1 1 1  -12   21   49 o   38.738   10.560   8.9188   8.7930  -3.5765   13.576   17.948   11.541   31.186   14.277   46.289   15.565 -15.10222 21.12085 
1 1 1  -12   21   50 o   37.088   14.890   8.7052   11.421   0.0000   0.0000   8.7052   11.421  ?   ?    37.088   14.890      ?      ? 
1 1 1  -12   21   51 o   28.245   12.831  -2.5463   10.699   0.0000   0.0000  -2.5463   10.699  ?   ?    28.245   12.831      ?      ? 
1 1 1  -12   21   52 o   28.784   13.369  -5.4701   12.537  -5.4701   12.537   0.0000   0.0000   28.784   13.369  ?   ?       ?      ? 
1 1 1  -12   21   53 o   32.745   14.490   1.9123   12.699   1.9123   12.699   0.0000   0.0000   32.745   14.490  ?   ?       ?      ? 
1 1 1  -12   21   54 o   27.841   12.963  -5.3920   11.902  -5.3920   11.902   0.0000   0.0000   27.841   12.963  ?   ?       ?      ? 
1 1 1  -12   21   55 o   18.654   9.3790 -27.7118   10.614 -27.7118   10.614   0.0000   0.0000   18.654   9.3790  ?   ?       ?      ? 
1 1 1  -12   21   56 o   28.470   13.162  -3.5782   11.946  -3.5782   11.946   0.0000   0.0000   28.470   13.162  ?   ?       ?      ? 
1 1 1  -12   21   57 o   28.908   13.382  -3.2827   12.406  -3.2827   12.406   0.0000   0.0000   28.908   13.382  ?   ?       ?      ? 
1 1 1  -12   21   58 o   49.966   16.771   24.911   13.399   24.911   13.399   0.0000   0.0000   49.966   16.771  ?   ?       ?      ? 
1 1 1  -12   22    1 o  113.595   6.7744   92.104   10.343   92.209   15.637   92.023   13.790  113.275   10.187  113.915   8.9333 -0.6401138 13.54889 
1 1 1  -12   22    2 o   57.740   9.9725   26.007   7.7302   27.496   11.230   24.666   10.657   59.300   14.168   56.180   14.038 3.120266 19.94509 
1 1 1  -12   22    3 o   53.006   10.221   21.953   7.6091   26.170   10.999   18.081   10.538   57.848   14.148   48.163   14.754 9.684471 20.44166 
1 1 1  -12   22    4 o   34.807   9.1465   7.1543   6.1799   11.694   7.8643  -0.1736   9.9922   39.758   12.826   29.856   13.044 9.901861 18.29308 
1 1 1  -12   22    5 o   52.442   9.4559   21.484   6.6580   22.497   8.5022   19.878   10.706   54.560   11.840   50.324   14.747 4.236271 18.91173 
1 1 1  -12   22    6 o   62.438   8.6592   27.527   7.0643   20.999   8.9205   38.505   11.569   52.335   12.706   72.541   11.768 -20.20629 17.31844 
1 1 1  -12   22    7 o   54.873   9.2045   21.935   6.7124   16.105   8.5716   31.179   10.793   45.814   13.130   63.932   12.903 -18.11746 18.40905 
1 1 1  -12   22    8 o   24.193   7.8752  -4.9391   5.9076  -2.1066   7.3705 -10.0282   9.8793   24.403   10.904   23.983   11.365 0.4204388 15.75030 
1 1 1  -12   22    9 o   68.362   10.021   33.508   9.2832   33.508   9.2832   0.0000   0.0000   68.362   10.021  ?   ?       ?      ? 
1 1 1  -12   22   10 o   38.878   12.490   11.146   7.4636   11.146   7.4636   0.0000   0.0000   38.878   12.490  ?   ?       ?      ? 
1 1 1  -12   22   11 o  108.446   6.6077   81.717   9.7106   81.717   9.7106   0.0000   0.0000  108.446   6.6077  ?   ?       ?      ? 
1 1 1  -12   22   12 o   30.851   9.1909   3.0786   5.9144   4.3306   6.7267  -1.1864   12.415   29.452   11.555   32.249   14.296 -2.796793 18.38183 
1 1 1  -12   22   13 o   78.131   7.8888   40.310   7.2405   36.534   8.2298   53.243   15.232   71.931   8.4428   84.331   13.329 -12.39983 15.77762 
1 1 1  -12   22   14 o   58.833   9.6148   28.526   6.7434   30.566   7.6815   21.670   14.082   65.727   8.6241   51.940   17.187 13.78747 19.22959 
1 1 1  -12   22   15 o   59.552   9.3567   22.506   6.4825   17.713   7.3474   39.344   13.772   48.406   11.391   70.698   14.847 -22.29229 18.71333 
1 1 1  -12   22   16 o   37.479   9.7965   9.5281   6.2969   11.328   7.1783   3.5196   13.116   38.997   12.216   35.961   15.318 3.036575 19.59308 
1 1 1  -12   22   17 o   71.381   9.4073   40.389   7.4909   41.999   8.6215   35.432   15.131   77.145   8.2469   65.616   16.911 11.52946 18.81464 
1 1 1  -12   22   18 o   83.042   8.4900   53.565   7.6624   55.803   8.8347   46.769   15.394   89.296   7.3009   76.788   15.330 12.50764 16.98009 
1 1 1  -12   22   19 o   54.014   9.7806   22.641   6.5750   22.612   7.6112   22.727   13.053   55.117   10.575   52.911   16.456 2.205547 19.56122 
1 1 1  -12   22   20 o   58.875   9.2894   30.337   6.8319   35.179   7.9963   17.248   13.147   70.517   8.3679   47.234   16.588 23.28260 18.57876 
1 1 1  -12   22   21 o   73.485   7.7429   34.484   7.0104   28.387   8.1162   52.398   13.912   62.936   9.5163   84.033   12.217 -21.09722 15.48583 
1 1 1  -12   22   22 o   82.900   8.4953   55.068   7.7058   59.290   9.0081   43.549   14.879   92.008   7.2248   73.791   15.378 18.21634 16.99053 
1 1 1  -12   22   23 o   31.181   9.2225   3.4415   6.1604   4.7637   7.2428  -0.0172   11.714   30.442   11.975   31.919   14.029 -1.477179 18.44508 
1 1 1  -12   22   24 o  103.263   7.5349   77.401   10.194   76.592   12.878   78.760   16.685  103.471   9.1841  103.054   11.948 0.4162674 15.06975 
1 1 1  -12   22   25 o   49.069   10.799   17.505   8.0903   10.646   10.326   28.408   13.019   39.317   14.577   58.820   15.937 -19.50329 21.59793 
1 1 1  -12   22   26 o   74.317   8.4339   39.653   7.3520   37.499   8.5607   45.709   14.351   72.545   8.7081   76.090   14.446 -3.544769 16.86790 
1 1 1  -12   22   27 o   50.838   10.088   18.838   6.6827   16.086   7.8704   25.949   12.651   45.551   12.412   56.125   15.906 -10.57369 20.17580 
1 1 1  -12   22   28 o   81.260   7.5119   46.113   7.5228   43.192   8.8472   53.736   14.294   77.950   8.3754   84.569   12.473 -6.618996 15.02390 
1 1 1  -12   22   29 f   56.418   9.3682   27.373   6.9748   31.949   8.3411   16.735   12.718   66.678   9.2311   46.157   16.305 20.52116 18.73639 
1 1 1  -12   22   30 o   48.693   9.6416   14.663   6.4255   8.1672   7.5461   31.794   12.254   34.592   12.520   62.793   14.666 -28.20154 19.28320 
1 1 1  -12   22   31 o   63.440   9.2236   28.969   7.9296   28.969   7.9296   0.0000   0.0000   63.440   9.2236  ?   ?       ?      ? 
1 1 1  -12   22   32 o   31.027   12.057   5.4314   7.2702   5.4314   7.2702   0.0000   0.0000   31.027   12.057  ?   ?       ?      ? 
1 1 1  -12   22   33 o   44.708   10.205   14.974   6.5772   13.451   7.8212   18.653   12.155   41.612   12.705   47.805   15.974 -6.192650 20.41059 
1 1 1  -12   22   34 f   76.685   7.9660   41.743   7.5250   39.042   8.8511   48.783   14.292   73.717   8.8603   79.653   13.241 -5.936005 15.93192 
1 1 1  -12   22   35 o   47.089   10.551   17.427   7.4860   14.216   9.7075   22.137   11.759   42.595   14.276   51.583   15.540 -8.988068 21.10174 
1 1 1  -12   22   36 o   36.363   10.072   6.6811   7.1949   2.2527   9.1212   13.975   11.706   30.011   12.779   42.715   15.573 -12.70408 20.14467 
1 1 1  -12   22   37 o   59.125   10.044   26.891   7.8965   19.935   10.037   38.187   12.791   49.433   14.221   68.817   14.188 -19.38437 20.08769 
1 1 1  -12   22   38 o   52.213   10.472   22.206   7.5979   20.657   9.6725   24.700   12.278   50.442   13.766   53.983   15.785 -3.541149 20.94470 
1 1 1  -12   22   39 o   40.726   10.489   12.663   7.5611   14.560   9.7888   9.8582   11.905   42.722   14.335   38.729   15.315 3.992683 20.97738 
1 1 1  -12   22   40 o   51.970   9.3781   22.838   7.8394   34.456   10.290   6.7684   12.102   67.682   11.219   36.258   15.031 31.42392 18.75618 
1 1 1  -12   22   41 o   52.674   11.257   21.566   9.6448   39.455   14.777   8.2893   12.730   67.589   16.319   37.759   15.511 29.83058 22.51388 
1 1 1  -12   22   42 o   77.871   11.452   51.974   11.700   59.582   16.823   44.847   16.283   84.512   15.250   71.230   17.088 13.28169 22.90356 
1 1 1  -12   22   43 o   28.409   13.304  -7.3797   12.836  -7.3797   12.836   0.0000   0.0000   28.409   13.304  ?   ?       ?      ? 
1 1 1  -12   22   44 o   41.508   10.883   12.052   9.2358  -1.0775   13.811   22.674   12.422   32.362   14.652   50.654   16.096 -18.29214 21.76654 
1 1 1  -12   22   45 o   26.291   12.347  -7.2444   11.186   0.0000   0.0000  -7.2444   11.186  ?   ?    26.291   12.347      ?      ? 
1 1 1  -12   22   46 o   56.869   12.135   29.162   10.140   38.292   15.769   22.725   13.241   63.870   17.638   49.869   16.673 14.00066 24.27087 
1 1 1  -12   22   47 o   38.927   10.977   9.8443   8.9172   18.027   13.496   3.5041   11.880   45.014   16.670   32.841   14.288 12.17296 21.95489 
1 1 1  -12   22   48 o   37.107   15.536   8.7164   13.113   8.7164   13.113   0.0000   0.0000   37.107   15.536  ?   ?       ?      ? 
1 1 1  -12   22   49 o   32.386   14.279   2.8796   12.224   2.8796   12.224   0.0000   0.0000   32.386   14.279  ?   ?       ?      ? 
1 1 1  -12   22   50 o   31.402   14.027   1.6095   12.190   1.6095   12.190   0.0000   0.0000   31.402   14.027  ?   ?       ?      ? 
1 1 1  -12   23    1 f   32.710   9.2966   3.7487   6.7357   10.588   9.5512  -3.0188   9.5006   38.547   14.065   26.873   12.161 11.67402 18.59322 
1 1 1  -12   23    2 o   42.949   11.264   12.327   8.1762   9.3490   9.8051   19.123   14.813   37.384   14.134   48.513   17.544 -11.12830 22.52859 
1 1 1  -12   23    3 o   88.576   9.2393   55.250   10.610   44.335   12.911   77.959   18.622   76.621   12.434  100.531   13.669 -23.91000 18.47859 
1 1 1  -12   23    4 o   28.949   9.3684  -3.3601   7.6570  -1.9364   9.0732  -6.8832   14.273   26.965   12.070   30.933   14.331 -3.967659 18.73672 
1 1 1  -12   23    5 o   38.914   9.7639   10.068   6.8741   16.853   9.8403   3.6003   9.6067   45.981   14.287   31.848   13.313 14.13302 19.52773 
1 1 1  -12   23    6 o   87.920   7.6147   56.635   9.0521   60.397   13.360   53.441   12.308   90.531   10.890   85.310   10.647 5.221153 15.22938 
1 1 1  -12   23    7 o   52.290   10.319   22.155   7.6390   19.108   10.713   25.307   10.896   48.574   14.876   56.007   14.305 -7.432098 20.63807 
1 1 1  -12   23    8 o   33.219   10.005   3.3358   7.6547   3.7764   9.4924   2.5165   12.944   31.868   13.270   34.570   14.977 -2.701357 20.00968 
1 1 1  -12   23    9 o   77.455   8.7238   43.514   8.1298   40.506   9.5922   51.185   15.318   74.879   9.4531   80.030   14.665 -5.150742 17.44757 
1 1 1  -12   23   10 o   34.960   9.7707   7.1262   6.7481   9.1951   8.0658   2.3001   12.319   36.130   12.961   33.790   14.625 2.339386 19.54143 
1 1 1  -12   23   11 o   34.528   8.6227   6.0984   6.5794   15.507   7.8828 -15.5081   11.946   44.543   12.532   24.514   11.847 20.02883 17.24549 
1 1 1  -12   23   12 o   32.392   9.6452   3.7043   6.6818   3.7701   7.9039   3.5395   12.509   29.990   12.259   34.795   14.894 -4.805023 19.29034 
1 1 1  -12   23   13 o   63.090   9.7766   31.454   7.6598   31.698   9.1311   30.872   14.072   65.861   10.231   60.319   16.663 5.541351 19.55327 
1 1 1  -12   23   14 o   39.950   9.7608   12.252   6.8710   16.452   8.2767   2.9394   12.324   45.723   12.833   34.178   14.710 11.54477 19.52154 
1 1 1  -12   23   15 o   33.875   9.7701   4.0752   6.6428   1.0807   7.9673   10.903   12.031   27.596   11.852   40.153   15.536 -12.55661 19.54023 
1 1 1  -12   23   16 o   30.123   9.1747   1.7925   6.4932   2.2249   7.9340   0.9154   11.300   28.544   12.025   31.703   13.860 -3.159613 18.34939 
1 1 1  -12   23   17 o   41.065   10.379   11.480   6.9883   8.5094   8.5316   17.536   12.183   35.553   13.236   46.577   15.989 -11.02428 20.75710 
1 1 1  -12   23   18 o   30.273   9.4550  -4.7534   8.4486 -18.8804   12.494   7.1493   11.468   24.071   11.743   36.475   14.822 -12.40449 18.91002 
1 1 1  -12   23   19 o   62.497   11.864   33.619   10.344   29.185   14.980   37.660   14.302   57.845   17.566   67.150   15.953 -9.305565 23.72872 
1 1 1  -12   23   20 o   34.683   9.9338   6.0888   6.9518   5.1627   8.5646   7.8774   11.902   32.006   12.878   37.360   15.129 -5.354496 19.86765 
1 1 1  -12   23   21 o   37.893   9.5807   3.4082   6.9501  -6.2321   8.4840   23.079   12.119   23.315   10.885   52.471   15.769 -29.15609 19.16130 
1 1 1  -12   23   22 o   72.280   9.4058   42.673   8.3368   46.667   10.309   35.123   14.173   80.157   9.4903   64.404   16.242 15.75302 18.81153 
1 1 1  -12   23   23 o   67.867   9.7958   38.613   8.3629   43.239   10.363   29.976   14.160   76.871   9.9485   58.863   16.878 18.00737 19.59151 
1 1 1  -12   23   24 o   43.042   10.134   15.029   7.3395   19.396   9.1709   7.2482   12.241   49.108   13.405   36.975   15.202 12.13309 20.26793 
1 1 1  -12   23   25 o   37.762   10.281   7.4217   7.2295   2.7993   8.8399   16.757   12.563   30.048   12.677   45.475   16.190 -15.42718 20.56255 
1 1 1  -12   23   26 o   28.110   12.135   1.1146   8.4377   1.1146   8.4377   0.0000   0.0000   28.110   12.135  ?   ?       ?      ? 
1 1 1  -12   23   27 o   68.040   11.102   34.668   10.237   34.668   10.237   0.0000   0.0000   68.040   11.102  ?   ?       ?      ? 
1 1 1  -12   23   28 o   32.013   9.2095   3.3424   7.0588   10.431   8.7666  -9.7254   11.903   37.564   13.508   26.463   12.522 11.10090 18.41901 
1 1 1  -12   23   29 o   36.412   9.9571   8.6508   7.2594   12.392   9.1555   2.3160   11.913   39.943   13.853   32.881   14.307 7.062214 19.91418 
1 1 1  -12   23   30 o   37.175   9.9650   6.7904   7.1730  -0.0131   9.0864   18.042   11.685   27.980   12.325   46.371   15.662 -18.39100 19.92993 
1 1 1  -12   23   31 o   39.390   10.334   11.751   7.4394   14.142   9.3711   7.6756   12.234   41.924   14.026   36.856   15.180 5.067875 20.66813 
1 1 1  -12   23   32 o   40.930   8.6411   3.0753   7.0154 -13.4369   8.8334   31.281   11.545   20.370   9.9236   61.489   14.149 -41.11848 17.28222 
1 1 1  -12   23   33 o   54.605   10.396   23.340   7.8154   16.424   9.7822   35.545   12.995   44.482   14.300   64.728   15.093 -20.24605 20.79117 
1 1 1  -12   23   34 o   35.013   9.8520   7.2959   7.3738   11.783   9.3763   0.0215   11.938   38.905   13.972   31.121   13.893 7.783848 19.70399 
1 1 1  -12   23   35 o   35.338   9.7611   3.9768   7.2797  -4.6627   9.2594   17.960   11.780   25.024   11.576   45.651   15.720 -20.62713 19.52217 
1 1 1  -12   23   36 o   44.571   10.080   13.131   7.6190   2.7276   9.6688   30.173   12.375   30.371   13.050   58.771   15.365 -28.40013 20.15906 
1 1 1  -12   23   37 o   37.628   10.789   7.4078   8.8089   17.419   13.623   0.2131   11.548   44.693   16.709   30.562   13.653 14.13048 21.57729 
1 1 1  -12   23   38 o   43.040   11.170   15.293   9.2486   5.5794   13.864   23.081   12.415   35.713   15.486   50.367   16.101 -14.65378 22.33930 
1 1 1  -12   23   39 o   39.384   15.664   11.930   12.521   0.0000   0.0000   11.930   12.521  ?   ?    39.384   15.664      ?      ? 
1 1 1  -12   23   40 o   38.581   15.407   11.351   12.159   0.0000   0.0000   11.351   12.159  ?   ?    38.581   15.407      ?      ? 
1 1 1  -12   23   41 o   60.442   15.985   33.681   13.294   0.0000   0.0000   33.681   13.294  ?   ?    60.442   15.985      ?      ? 
1 1 1  -12   23   42 o   31.382   13.982   1.8651   12.027   0.0000   0.0000   1.8651   12.027  ?   ?    31.382   13.982      ?      ? 
1 1 1  -12   23   43 o   22.299   10.861 -13.7674   10.567   0.0000   0.0000 -13.7674   10.567  ?   ?    22.299   10.861      ?      ? 
1 1 1  -12   24    1 f   39.144   10.346   6.3816   8.5239  -6.6389   11.341   23.288   12.923   26.942   12.581   51.347   16.428 -24.40491 20.69183 
1 1 1  -12   24    2 o   39.829   10.467   7.8907   8.6624  -4.9936   11.742   23.276   12.831   28.260   13.060   51.397   16.362 -23.13676 20.93498 
1 1 1  -12   24    3 o   32.350   10.049   1.4296   8.4765  -0.8589   11.503   4.1491   12.539   30.252   13.562   34.448   14.833 -4.196178 20.09810 
1 1 1  -12   24    4 o   33.546   10.128   4.1451   8.1373   4.2442   11.303   4.0385   11.724   33.427   14.229   33.664   14.415 -0.2367744 20.25509 
1 1 1  -12   24    5 o   47.737   11.465   19.280   9.0258   14.103   12.439   25.037   13.117   42.283   15.935   53.191   16.489 -10.90838 22.93071 
1 1 1  -12   24    6 o   34.196   10.331   4.4477   8.4821   4.9605   11.873   3.9131   12.122   34.455   14.623   33.936   14.598 0.5186272 20.66209 
1 1 1  -12   24    7 o   48.978   10.941   19.789   9.0677   31.610   12.757   7.7175   12.892   60.715   15.463   37.241   15.482 23.47458 21.88109 
1 1 1  -12   24    8 o   41.709   10.312   9.4012   8.6634  -5.8028   11.851   26.854   12.697   28.002   13.004   55.416   16.009 -27.41400 20.62475 
1 1 1  -12   24    9 o   33.456   10.133   3.6897   8.2526   1.0160   11.659   6.3748   11.683   31.572   13.932   35.341   14.719 -3.768997 20.26672 
1 1 1  -12   24   10 o   33.240   9.7098   1.9378   7.9858  -9.9422   11.510   12.966   11.089   25.682   12.199   40.798   15.110 -15.11543 19.41962 
1 1 1  -12   24   11 f   36.036   10.361   6.4529   8.4421  -1.8812   12.517   13.407   11.434   30.760   13.936   41.311   15.335 -10.55065 20.72118 
1 1 1  -12   24   12 o   61.205   15.576   32.299   12.951   0.0000   0.0000   32.299   12.951  ?   ?    61.205   15.576      ?      ? 
1 1 1  -12   24   13 o   24.765   11.735  -8.9518   10.531   0.0000   0.0000  -8.9518   10.531  ?   ?    24.765   11.735      ?      ? 
1 1 1  -12   24   14 o   30.880   9.7257  -0.0411   8.2672  -3.1152   12.423   2.4026   11.076   29.948   13.690   31.812   13.818 -1.864021 19.45149 
1 1 1  -12   24   15 o   54.135   11.493   25.935   9.1170   28.299   13.170   23.761   12.634   56.449   16.303   51.821   16.202 4.628376 22.98503 
1 1 1  -12   24   16 o   50.933   8.2200   10.188   8.4810   49.224   13.230 -17.0467   11.050   79.516   12.278   22.349   10.933 57.16661 16.43994 
1 1 1  -12   24   17 o   44.661   11.258   16.906   8.7638   12.802   12.969   20.356   11.890   41.021   16.058   48.300   15.784 -7.279232 22.51621 
1 1 1  -12   24   18 o   46.891   11.419   18.768   8.8047   23.505   13.266   15.039   11.771   51.069   16.672   42.713   15.609 8.355785 22.83849 
1 1 1  -12   24   19 o   29.225   9.3126  -3.3445   7.8184   4.9062   12.108  -9.2442   10.239   34.325   14.672   24.125   11.473 10.19941 18.62529 
1 1 1  -12   24   20 o   52.427   11.277   24.772   8.9987   18.689   13.252   29.978   12.259   46.124   16.606   58.730   15.263 -12.60585 22.55443 
1 1 1  -12   24   21 o   33.235   14.437   3.4738   12.092   3.4738   12.092   0.0000   0.0000   33.235   14.437  ?   ?       ?      ? 
1 1 1  -12   24   22 o   30.778   13.799  -0.1145   11.912  -0.1145   11.912   0.0000   0.0000   30.778   13.799  ?   ?       ?      ? 
1 1 1  -12   24   23 o   39.772   10.970   11.224   8.5932   17.754   13.176   6.3909   11.336   44.965   16.502   34.578   14.458 10.38732 21.93983 
1 1 1  -12   24   24 o   44.915   10.719   13.678   9.0078   32.125   13.679  -0.4472   11.970   59.296   16.447   30.534   13.750 28.76108 21.43725 
1 1 1  -12   24   25 o   41.509   11.316   14.216   8.9973   13.031   13.732   15.108   11.910   40.795   16.344   42.224   15.655 -1.429173 22.63221 
1 1 1  -12   24   26 o   38.430   10.681   10.220   8.7176   1.6054   12.931   17.399   11.804   32.477   14.482   44.383   15.704 -11.90552 21.36253 
1 1 1  -12   24   27 o   33.282   10.211   4.2153   8.5233   4.5904   12.376   3.8768   11.755   33.768   14.637   32.796   14.241 0.9720192 20.42152 
1 1 1  -12   24   28 o   36.917   10.365   7.1441   8.8359  -6.4022   13.009   18.745   12.039   28.391   13.327   45.443   15.878 -17.05186 20.72933 
1 1 1  -12   24   29 o   52.065   11.828   25.888   9.4385   26.576   14.060   25.323   12.734   52.253   17.169   51.876   16.274 0.3767509 23.65601 
1 1 1  -12   24   30 o   40.506   11.200   13.681   8.8629   15.865   13.377   11.973   11.832   42.300   16.378   38.713   15.281 3.587246 22.39945 
1 1 1  -12   24   31 o   32.321   10.027   3.5213   8.4595   0.2493   13.173   5.8174   11.036   31.442   14.266   33.200   14.094 -1.758602 20.05400 
1 1 1  -12   24   32 o   33.909   14.392   6.5132   11.503   0.0000   0.0000   6.5132   11.503  ?   ?    33.909   14.392      ?      ? 
1 1 1  -12   24   33 o   34.743   14.379   8.1310   11.050   0.0000   0.0000   8.1310   11.050  ?   ?    34.743   14.379      ?      ? 
1 1 1  -12   24   34 o   30.326   13.487   2.0336   11.138   0.0000   0.0000   2.0336   11.138  ?   ?    30.326   13.487      ?      ? 
1 1 1  -12   24   35 o   29.650   13.287   1.2981   11.030   0.0000   0.0000   1.2981   11.030  ?   ?    29.650   13.287      ?      ? 
1 1 1  -12   24   36 o   28.915   13.188  -0.4161   11.447   0.0000   0.0000  -0.4161   11.447  ?   ?    28.915   13.188      ?      ? 
1 1 1  -12   24   37 o   30.949   13.619   3.7607   11.068   0.0000   0.0000   3.7607   11.068  ?   ?    30.949   13.619      ?      ? 
1 1 1  -12   24   38 o   31.623   13.888   4.6251   11.459   0.0000   0.0000   4.6251   11.459  ?   ?    31.623   13.888      ?      ? 
1 1 1  -12   25    1 o   31.903   9.5037  -0.5804   8.2130   15.177   11.590 -16.4745   11.640   41.080   15.401   22.726   11.139 18.35442 19.00732 
1 1 1  -12   25    2 o   33.684   10.266   5.8214   8.5262   4.3281   12.011   7.3382   12.105   32.635   14.278   34.734   14.754 -2.098858 20.53177 
1 1 1  -12   25    3 o   25.523   8.5758  -8.3768   8.0899 -11.7472   11.390  -4.9458   11.492   24.040   11.606   27.006   12.628 -2.965919 17.15160 
1 1 1  -12   25    4 o   51.004   11.831   25.404   9.7305   33.374   14.155   18.263   13.398   58.198   16.929   43.810   16.532 14.38835 23.66206 
1 1 1  -12   25    5 o   23.356   11.288 -11.7760   10.844   0.0000   0.0000 -11.7760   10.844  ?   ?    23.356   11.288      ?      ? 
1 1 1  -12   25    6 o   40.177   15.457   14.114   11.857   0.0000   0.0000   14.114   11.857  ?   ?    40.177   15.457      ?      ? 
1 1 1  -12   25    7 o   23.062   7.9027 -12.2882   7.5611 -11.2788   11.382 -13.0853   10.115   24.217   11.669   21.907   10.661 2.310270 15.80544 
1 1 1  -12   25    8 o   41.063   11.228   14.678   8.9100   19.020   13.257   11.101   12.033   44.517   16.514   37.609   15.218 6.908546 22.45686 
1 1 1  -12   25    9 f   35.602   10.130   3.1808   8.4681   21.437   13.102  -9.9172   11.098   46.821   16.548   24.384   11.690 22.43762 20.26048 
1 1 1  -12   25   10 o   35.703   10.431   7.4045   8.4926   15.675   12.589   0.4962   11.505   41.543   15.940   29.862   13.460 11.68131 20.86298 
1 1 1  -12   25   11 o   31.534   9.8458   2.6876   8.3719  -1.4342   12.253   6.2968   11.466   29.493   13.524   33.576   14.313 -4.082563 19.69158 
1 1 1  -12   25   12 o   27.003   8.8882  -5.1720   7.7274   1.3742   12.200  -9.5574   9.9857   30.941   13.912   23.066   11.066 7.874792 17.77638 
1 1 1  -12   25   13 o   36.069   10.600   9.1955   8.4653   10.615   12.972   8.1422   11.172   37.403   15.538   34.734   14.424 2.668835 21.20098 
1 1 1  -12   25   14 o   48.386   11.457   23.066   9.0275   18.765   13.216   26.828   12.360   44.030   16.458   52.742   15.942 -8.712059 22.91360 
1 1 1  -12   25   15 o   25.977   12.324  -7.4394   11.677  -7.4394   11.677   0.0000   0.0000   25.977   12.324  ?   ?       ?      ? 
1 1 1  -12   25   16 o   41.245   16.047   15.723   12.891   15.723   12.891   0.0000   0.0000   41.245   16.047  ?   ?       ?      ? 
1 1 1  -12   25   17 o   36.131   10.443   8.3232   8.3534   17.051   12.636   1.5486   11.133   42.344   16.036   29.918   13.382 12.42568 20.88637 
1 1 1  -12   25   18 o   32.068   9.3505  -0.0870   8.1614 -19.9011   12.097   16.464   11.057   22.139   10.948   41.996   15.161 -19.85696 18.70103 
1 1 1  -12   25   19 o   26.790   8.8593  -4.7663   8.1052 -10.6581   12.671  -0.6856   10.545   25.659   12.350   27.921   12.705 -2.262671 17.71864 
1 1 1  -12   25   20 o   31.921   9.9437   3.4585   8.2938   8.5642   12.811  -0.2252   10.882   35.375   15.106   28.468   12.935 6.907591 19.88744 
1 1 1  -12   25   21 o   30.550   9.6759   1.4993   8.1423   6.8038   12.730  -2.1733   10.592   34.071   14.806   27.030   12.460 7.041010 19.35186 
1 1 1  -12   25   22 o   45.660   11.095   21.280   8.9504   12.645   14.059   27.165   11.606   38.319   16.067   53.002   15.305 -14.68295 22.18991 
1 1 1  -12   25   23 o   33.529   10.225   6.0276   8.4048   12.010   13.018   1.7513   11.006   37.524   15.575   29.534   13.251 7.990213 20.44948 
1 1 1  -12   25   24 o   28.576   9.2428  -0.1818   7.9337  -1.0954   12.465   0.4404   10.286   29.145   13.464   28.006   12.666 1.139093 18.48550 
1 1 1  -12   25   25 o   36.219   10.666   10.807   8.5945   11.579   13.290   10.252   11.267   36.969   15.568   35.469   14.584 1.500328 21.33187 
1 1 1  -12   25   26 o   48.204   11.607   23.714   9.3531   34.458   14.260   15.602   12.391   56.561   17.130   39.847   15.666 16.71374 23.21340 
1 1 1  -11    0    1 o  790.297   18.295  4247.54  195.693   0.0000   0.0000  4247.54  195.693  790.297   18.295  790.297   18.295 -0.000000 0.000000 
1 1 1  -11    0    2 o  856.716   19.651  4992.69  227.874   0.0000   0.0000  4992.69  227.874  856.716   19.651  856.716   19.651 -0.000000 0.000000 
1 1 1  -11    0    3 f  336.732   9.7661  770.662   44.480   0.0000   0.0000  770.662   44.480  336.732   9.7661  336.732   9.7661 -0.000000 0.000000 
1 1 1  -11    0    4 o  332.359   9.7172  750.798   43.681   0.0000   0.0000  750.798   43.681  332.359   9.7172  332.359   9.7172 -0.000000 0.000000 
1 1 1  -11    0    5 o  220.226   5.8160  330.126   17.302  327.716   24.464  332.537   24.473  219.415   8.2542  221.037   8.1959 -0.000000 0.000000 
1 1 1  -11    0    6 o  219.422   5.8332  327.146   17.259  301.642   23.905  354.917   24.945  210.447   8.4128  228.397   8.0825 -0.000000 0.000000 
1 1 1  -11    0    7 o  329.569   6.8614  737.688   30.571  764.272   43.929  712.720   42.572  335.339   9.6850  323.798   9.7219 -0.000000 0.000000 
1 1 1  -11    0    8 o  340.414   6.9929  787.080   32.184  758.001   44.895  817.824   46.162  333.928   9.9411  346.900   9.8376 -0.000000 0.000000 
1 1 1  -11    0    9 o  872.351   14.147  5176.34  167.029  5116.88  234.538  5237.54  237.929  867.265   19.980  877.437   20.034 -0.000000 0.000000 
1 1 1  -11    0   10 o  790.355   12.961  4247.64  138.635  4197.65  194.664  4299.10  197.487  785.633   18.307  795.078   18.351 -0.000000 0.000000 
1 1 1  -11    0   11 o  382.268   7.4827  993.085   38.694  984.403   54.581  1001.86   54.865  380.583   10.602  383.954   10.563 -0.000000 0.000000 
1 1 1  -11    0   12 o  617.758   10.537  2594.04   88.092  2580.43  124.262  2607.79  124.903  616.126   14.903  619.389   14.900 -0.000000 0.000000 
1 1 1  -11    0   13 o  312.499   9.5455  663.944   40.338  663.944   40.338   0.0000   0.0000  312.499   9.5455  312.499   9.5455 -0.000000 0.000000 
1 1 1  -11    0   14 o  316.982   9.6399  683.136   41.322  683.136   41.322   0.0000   0.0000  316.982   9.6399  316.982   9.6399 -0.000000 0.000000 
1 1 1  -11    0   15 o  456.590   8.4236  1416.45   52.031  1443.25   74.408  1390.80   72.786  460.821   11.933  452.359   11.892 -0.000000 0.000000 
1 1 1  -11    0   16 o  420.893   7.9890  1204.03   45.491  1208.83   64.575  1199.31   64.096  421.724   11.318  420.062   11.278 -0.000000 0.000000 
1 1 1  -11    0   17 o  534.521   9.4399  1942.16   68.281  1948.01   96.802  1936.37   96.327  535.322   13.363  533.720   13.337 -0.000000 0.000000 
1 1 1  -11    0   18 o  694.162   11.626  3276.65  109.213  3324.25  155.923  3230.81  153.017  699.112   16.479  689.212   16.404 -0.000000 0.000000 
1 1 1  -11    0   19 o  434.757   8.1766  1284.71   48.094  1291.47   68.363  1278.08   67.673  435.888   11.592  433.626   11.535 -0.000000 0.000000 
1 1 1  -11    0   20 o  136.093   5.8235  127.136   10.630  122.297   15.290  131.664   14.790  133.499   8.5317  138.688   7.9286 -0.000000 0.000000 
1 1 1  -11    0   21 o  323.171   6.9214  709.912   30.244  722.312   43.231  698.025   42.326  325.939   9.8078  320.402   9.7689 -0.000000 0.000000 
1 1 1  -11    0   22 o  137.843   5.8702  129.836   10.857  139.291   15.825  121.428   14.924  142.632   8.2508  133.055   8.3522 -0.000000 0.000000 
1 1 1  -11    0   23 o  538.004   9.5152  1966.79   69.262  2001.36   99.098  1933.77   96.844  542.628   13.495  533.380   13.418 -0.000000 0.000000 
1 1 1  -11    0   24 o  459.556   8.5158  1435.31   52.951  1428.84   74.901  1441.78   74.866  458.514   12.073  460.598   12.013 -0.000000 0.000000 
1 1 1  -11    0   25 o  127.860   6.0240  112.553   10.304  106.971   14.843  117.744   14.314  124.676   8.8894  131.045   8.1324 -0.000000 0.000000 
1 1 1  -11    0   26 o  334.909   9.9589  762.438   45.108   0.0000   0.0000  762.438   45.108  334.909   9.9589  334.909   9.9589 -0.000000 0.000000 
1 1 1  -11    0   27 o  436.753   11.631  1296.16   68.727   0.0000   0.0000  1296.16   68.727  436.753   11.631  436.753   11.631 -0.000000 0.000000 
1 1 1  -11    0   28 o  301.850   6.7929  619.636   27.716  607.141   39.296  632.006   39.098  298.799   9.7282  304.901   9.4835 -0.000000 0.000000 
1 1 1  -11    0   29 o  789.935   13.013  4241.40  139.126  4253.35  197.439  4229.62  196.074  791.036   18.441  788.833   18.365 -0.000000 0.000000 
1 1 1  -11    0   30 o  607.910   10.484  2509.61   86.223  2563.75  123.772  2458.56  120.183  614.281   14.888  601.538   14.763 -0.000000 0.000000 
1 1 1  -11    0   31 o  292.273   6.7238  580.915   26.563  568.886   37.547  592.968   37.584  289.224   9.6039  295.323   9.4129 -0.000000 0.000000 
1 1 1  -11    0   32 o  945.884   15.271  6082.06  195.487  6170.93  279.385  5996.83  273.626  952.651   21.667  939.117   21.526 -0.000000 0.000000 
1 1 1  -11    0   33 o  1167.07   26.237  9269.48  414.474  9269.48  414.474   0.0000   0.0000  1167.07   26.237  1167.07   26.237 -0.000000 0.000000 
1 1 1  -11    0   34 o  585.481   14.474  2328.92  114.675  2328.92  114.675   0.0000   0.0000  585.481   14.474  585.481   14.474 -0.000000 0.000000 
1 1 1  -11    0   35 o  397.363   7.8557  1072.59   42.219  1090.68   60.421  1055.33   59.017  400.640   11.148  394.086   11.071 -0.000000 0.000000 
1 1 1  -11    0   36 o  965.883   15.576  6342.78  203.602  6441.08  291.082  6248.62  284.890  973.208   22.097  958.558   21.958 -0.000000 0.000000 
1 1 1  -11    0   37 o  1308.56   20.668 11658.49  365.984 11911.79  525.456 11419.82  510.047  1322.35   29.356  1294.77   29.102 -0.000000 0.000000 
1 1 1  -11    0   38 o  724.990   12.129  3570.99  118.984  3637.25  170.456  3508.02  166.165  731.549   17.216  718.431   17.089 -0.000000 0.000000 
1 1 1  -11    0   39 o  283.194   6.7850  545.660   25.960  527.255   36.691  564.109   36.734  278.376   9.7533  288.012   9.4348 -0.000000 0.000000 
1 1 1  -11    0   40 o  597.036   10.402  2422.38   84.039  2397.94  118.588  2447.04  119.111  594.000   14.753  600.073   14.667 -0.000000 0.000000 
1 1 1  -11    0   41 o  763.230   12.689  3960.78  131.077  3932.09  184.982  3989.70  185.762  760.446   17.973  766.014   17.917 -0.000000 0.000000 
1 1 1  -11    0   42 o  713.240   11.992  3458.85  115.758  3453.71  164.013  3463.95  163.402  712.704   17.004  713.775   16.915 -0.000000 0.000000 
1 1 1  -11    0   43 o  685.225   11.609  3190.13  107.612  3274.20  155.055  3112.01  149.472  693.929   16.510  676.521   16.326 -0.000000 0.000000 
1 1 1  -11    0   44 o  148.715   6.7552  152.658   13.387  142.594   19.697  161.298   18.249  143.940   10.216  153.490   8.8409 -0.000000 0.000000 
1 1 1  -11    0   45 o  566.293   14.095  2180.12  108.016   0.0000   0.0000  2180.12  108.016  566.293   14.095  566.293   14.095 -0.000000 0.000000 
1 1 1  -11    0   46 o  276.304   6.8444  519.792   25.545  505.704   36.286  533.635   35.968  272.555   9.8534  280.053   9.5023 -0.000000 0.000000 
1 1 1  -11    0   47 o  585.846   10.288  2333.62   81.553  2363.64  116.566  2304.84  114.140  589.533   14.611  582.159   14.488 -0.000000 0.000000 
1 1 1  -11    0   48 o  660.065   11.295  2964.00  100.890  2997.01  144.035  2932.20  141.361  663.669   16.036  656.462   15.912 -0.000000 0.000000 
1 1 1  -11    0   49 o  681.846   11.600  3164.32  107.039  3187.05  152.418  3142.20  150.354  684.256   16.459  679.436   16.351 -0.000000 0.000000 
1 1 1  -11    0   50 o  266.787   6.8335  484.739   24.623  482.460   35.253  486.909   34.406  266.153   9.8044  267.422   9.5215 -0.000000 0.000000 
1 1 1  -11    0   51 o  363.067   10.905  896.929   53.542  896.929   53.542   0.0000   0.0000  363.067   10.905  363.067   10.905 -0.000000 0.000000 
1 1 1  -11    0   52 o  200.814   6.5367  273.597   17.646  302.757   26.131  249.154   23.924  210.659   9.1934  190.969   9.2950 -0.000000 0.000000 
1 1 1  -11    0   53 o  169.237   6.5458  196.126   14.884  194.735   21.637  197.376   20.508  168.609   9.5394  169.865   8.9660 -0.000000 0.000000 
1 1 1  -11    0   54 o  161.797   6.6569  180.225   14.412  167.095   20.858  192.222   19.937  155.964   9.9620  167.630   8.8327 -0.000000 0.000000 
1 1 1  -11    0   55 o  292.792   7.0513  583.958   27.891  582.516   40.038  585.317   38.874  292.415   10.131  293.169   9.8100 -0.000000 0.000000 
1 1 1  -11    0   56 o  313.800   7.2307  669.351   30.639  698.849   44.643  643.083   42.128  320.330   10.308  307.269   10.142 -0.000000 0.000000 
1 1 1  -11    0   57 o  258.036   6.8159  454.034   23.743  449.506   34.090  458.299   33.087  256.749   9.8305  259.322   9.4438 -0.000000 0.000000 
1 1 1  -11    0   58 o  293.886   7.0837  586.172   28.077  626.928   41.371  551.373   38.229  303.339   10.090  284.434   9.9456 -0.000000 0.000000 
1 1 1  -11    0   59 o  210.289   6.6658  301.541   18.876  310.389   27.668  293.836   25.817  213.152   9.6233  207.426   9.2262 -0.000000 0.000000 
1 1 1  -11    0   60 o  313.732   7.2827  670.596   30.865  677.048   44.588  664.659   42.768  315.155   10.466  312.309   10.130 -0.000000 0.000000 
1 1 1  -11    0   61 o  163.726   9.2100  183.754   20.286   0.0000   0.0000  183.754   20.286  163.726   9.2100  163.726   9.2100 -0.000000 0.000000 
1 1 1  -11    0   62 o  105.774   7.9557   78.808   10.983   76.897   16.469   80.338   14.739  104.290   12.075  107.258   10.362 -0.000000 0.000000 
1 1 1  -11    0   63 o  107.302   7.8732   81.161   11.068   75.413   16.068   86.350   15.268  103.297   11.887  111.306   10.327 -0.000000 0.000000 
1 1 1  -11    0   64 o  210.787   6.7745  303.604   19.239  307.365   27.943  300.216   26.527  211.996   9.7741  209.578   9.3830 -0.000000 0.000000 
1 1 1  -11    0   65 o  227.996   6.8556  354.785   21.066  363.119   30.737  347.402   28.928  230.494   9.8819  225.498   9.5050 -0.000000 0.000000 
1 1 1  -11    0   66 o  366.256   11.247  915.501   55.704  915.501   55.704   0.0000   0.0000  366.256   11.247  366.256   11.247 -0.000000 0.000000 
1 1 1  -11    0   67 o  130.624   10.771  118.431   18.768  118.431   18.768   0.0000   0.0000  130.624   10.771  130.624   10.771 -0.000000 0.000000 
1 1 1  -11    0   68 o  170.597   6.9282  199.591   15.870  204.316   23.226  195.453   21.734  172.455   10.016  168.739   9.5752 -0.000000 0.000000 
1 1 1  -11    0   69 o  210.501   6.9932  303.958   19.795  294.111   28.758  312.824   27.290  207.140   10.303  213.861   9.4584 -0.000000 0.000000 
1 1 1  -11    0   70 o   31.528   12.734   8.7027   8.6727   5.8759   13.117   10.898   11.560   29.578   17.866   33.478   18.151 -0.000000 0.000000 
1 1 1  -11    0   71 o  310.334   7.4136  656.897   31.060  678.795   45.277  637.432   42.689  315.193   10.628  305.476   10.339 -0.000000 0.000000 
1 1 1  -11    0   72 o  243.943   7.0654  407.374   23.248  399.352   33.358  414.950   32.416  241.537   10.233  246.348   9.7449 -0.000000 0.000000 
1 1 1  -11    0   73 o  188.668   7.0364  245.101   17.819  229.181   25.594  260.075   24.822  182.536   10.425  194.800   9.4537 -0.000000 0.000000 
1 1 1  -11    0   74 o  296.086   7.4170  594.551   29.545  665.578   44.247  537.408   39.688  311.962   10.493  280.211   10.485 -0.000000 0.000000 
1 1 1  -11    0   75 o  157.911   7.3381  172.293   15.493  170.991   22.820  173.405   21.101  157.218   10.829  158.604   9.9060 -0.000000 0.000000 
1 1 1  -11    0   76 o  103.047   11.912   75.412   16.055   0.0000   0.0000   75.412   16.055  103.047   11.912  103.047   11.912 -0.000000 0.000000 
1 1 1  -11    0   77 o   20.950   9.8178 -10.6994   8.6517 -36.0205   13.975   5.0377   11.017   14.792   10.838   27.109   16.374 -0.000000 0.000000 
1 1 1  -11    0   78 f  100.397   12.454   72.178   16.243   0.0000   0.0000   72.178   16.243  100.397   12.454  100.397   12.454 -0.000000 0.000000 
1 1 1  -11    0   79 o   16.126   11.588 -20.4530   12.241 -20.4530   12.241   0.0000   0.0000   16.126   11.588   16.126   11.588 -0.000000 0.000000 
1 1 1  -11    0   80 o   94.484   13.853   65.300   16.621   65.300   16.621   0.0000   0.0000   94.484   13.853   94.484   13.853 -0.000000 0.000000 
1 1 1  -11    0   81 o   93.056   13.830   63.547   16.307   63.547   16.307   0.0000   0.0000   93.056   13.830   93.056   13.830 -0.000000 0.000000 
1 1 1  -11    0   82 o   75.048   11.838   44.717   10.353   58.903   15.206   32.461   14.134   89.504   13.428   60.593   19.500 -0.000000 0.000000 
1 1 1  -11    0   83 o  114.179   8.5398   94.163   12.398   72.630   17.485  115.933   17.581   99.678   13.676  128.681   10.231 -0.000000 0.000000 
1 1 1  -11    0   84 o  182.247   7.1050  230.862   17.402  218.537   24.649  243.109   24.572  177.218   10.345  187.275   9.7423 -0.000000 0.000000 
1 1 1  -11    0   85 o   25.404   11.329   2.6525   8.2844   1.6817   11.775   3.6040   11.658   24.760   15.801   26.048   16.240 -0.000000 0.000000 
1 1 1  -11    0   86 o  104.696   8.5229   79.376   11.609   72.322   16.473   86.337   16.363   99.497   12.799  109.896   11.259 -0.000000 0.000000 
1 1 1  -11    0   87 o  130.333   7.7085  119.949   13.330  135.898   19.469  105.873   18.290  138.830   10.486  121.837   11.302 -0.000000 0.000000 
1 1 1  -11    0   88 o   96.458   12.205   68.109   15.259   0.0000   0.0000   68.109   15.259   96.458   12.205   96.458   12.205 -0.000000 0.000000 
1 1 1  -11    0   89 o   77.683   14.180   46.553   13.456   0.0000   0.0000   46.553   13.456   77.683   14.180   77.683   14.180 -0.000000 0.000000 
1 1 1  -11    0   90 o   59.438   18.372   31.708   12.952   0.0000   0.0000   31.708   12.952   59.438   18.372   59.438   18.372 -0.000000 0.000000 
1 1 1  -11    0   91 o   95.462   12.293   67.444   15.178   0.0000   0.0000   67.444   15.178   95.462   12.293   95.462   12.293 -0.000000 0.000000 
1 1 1  -11    0   92 o   35.886   18.465   14.381   11.465   0.0000   0.0000   14.381   11.465   35.886   18.465   35.886   18.465 -0.000000 0.000000 
1 1 1  -11    1    1 o  392.812   6.5236  1049.92   32.883  1056.89   40.525  1036.47   56.263  394.799   7.5747  390.824   10.623 3.975159 13.04723 
1 1 1  -11    1    2 o  258.062   6.1385  451.449   21.467  451.449   21.467   0.0000   0.0000  258.062   6.1385  ?   ?       ?      ? 
1 1 1  -11    1    3 o  433.228   6.5314  1261.95   33.167  1251.08   38.196  1295.25   66.871  429.585   6.5612  436.870   11.295 -7.284973 13.06274 
1 1 1  -11    1    4 o  523.122   6.4980  1856.15   46.065  1854.18   65.134  1858.12   65.156  522.844   9.1930  523.400   9.1863 -0.5557861 12.99608 
1 1 1  -11    1    5 o  362.600   5.0838  891.427   24.981  890.256   35.335  892.597   35.321  362.362   7.1958  362.838   7.1835 -0.4765015 10.16769 
1 1 1  -11    1    6 o  365.424   6.2644  901.400   29.150  918.100   51.048  893.319   35.509  367.865   10.240  362.984   7.2188 4.880798 12.52881 
1 1 1  -11    1    7 o  526.671   8.0199  1876.39   53.822  1900.26   93.992  1864.74   65.651  529.014   13.111  524.328   9.2397 4.686096 16.03973 
1 1 1  -11    1    8 o  432.205   5.6895  1266.71   33.323  1259.69   47.005  1273.80   47.248  431.002   8.0478  433.409   8.0446 -2.406738 11.37905 
1 1 1  -11    1    9 o  254.256   4.3294  438.088   14.915  448.298   21.308  428.280   20.883  257.160   6.1143  251.353   6.1310 5.807343 8.658793 
1 1 1  -11    1   10 o  391.995   6.5496  1042.37   32.814  1042.16   56.785  1042.48   40.206  391.892   10.693  392.098   7.5668 -0.2062988 13.09920 
1 1 1  -11    1   11 o  291.071   5.5818  571.800   20.753  582.679   36.125  566.442   25.355  293.088   9.0956  289.054   6.4729 4.033478 11.16369 
1 1 1  -11    1   12 o  495.074   6.2785  1662.26   42.119  1682.69   60.019  1642.43   59.122  498.070   8.8923  492.078   8.8661 5.992462 12.55708 
1 1 1  -11    1   13 o  505.367   6.3695  1732.46   43.621  1727.57   61.626  1737.37   61.752  504.652   9.0113  506.082   9.0042 -1.429840 12.73891 
1 1 1  -11    1   14 o  327.235   5.9815  724.449   24.920  720.897   30.380  731.753   43.568  326.070   6.8754  328.400   9.7900 -2.330048 11.96308 
1 1 1  -11    1   15 o  208.993   5.1383  299.353   13.655  305.618   16.739  286.891   23.609  212.326   5.8177  205.659   8.4712 6.666595 10.27653 
1 1 1  -11    1   16 o  390.763   5.3719  1035.38   28.444  1018.96   39.961  1052.25   40.496  387.622   7.6075  393.904   7.5864 -6.282196 10.74376 
1 1 1  -11    1   17 o  497.249   6.3086  1677.36   42.509  1665.60   59.924  1689.27   60.312  495.494   8.9244  499.003   8.9190 -3.508270 12.61724 
1 1 1  -11    1   18 o  255.626   4.4004  442.810   15.239  458.071   21.802  428.234   21.308  259.931   6.1896  251.322   6.2564 8.609726 8.800742 
1 1 1  -11    1   19 o  259.017   4.4400  454.800   15.583  462.600   22.175  447.190   21.904  261.211   6.2645  256.823   6.2938 4.388367 8.880096 
1 1 1  -11    1   20 o  637.986   7.6541  2762.91   66.174  2755.29   93.453  2770.57   93.715  637.104   10.824  638.868   10.825 -1.764526 15.30820 
1 1 1  -11    1   21 o  848.672   9.7641  4894.21  112.291  4921.87  159.390  4866.94  158.225  851.052   13.820  846.293   13.797 4.758240 19.52815 
1 1 1  -11    1   22 o  634.420   7.6244  2731.67   65.547  2751.97   93.126  2711.74   92.274  636.755   10.792  632.085   10.773 4.670105 15.24877 
1 1 1  -11    1   23 o  755.697   8.8245  3877.79   90.368  3890.99  128.120  3864.72  127.483  756.976   12.490  754.419   12.470 2.556885 17.64899 
1 1 1  -11    1   24 o  625.351   7.5401  2653.49   63.895  2676.35   90.815  2631.08   89.915  628.017   10.671  622.685   10.656 5.332397 15.08021 
1 1 1  -11    1   25 o  893.881   10.231  5427.02  123.925  5367.16  173.957  5488.70  176.586  888.882   14.442  898.881   14.497 -9.999268 20.46253 
1 1 1  -11    1   26 f  775.700   11.054  4088.70  109.636  4089.75  134.412  4086.60  189.511  776.201   12.779  775.198   18.040 1.002930 22.10739 
1 1 1  -11    1   27 f  1113.82   15.374  8500.74  219.947  8275.96  374.063  8619.53  271.921  1101.60   25.058  1126.04   17.820 -24.43506 30.74792 
1 1 1  -11    1   28 o  1035.25   11.696  7279.08  164.067  7168.36  229.665  7394.46  234.461  1027.22   16.499  1043.28   16.584 -16.06030 23.39297 
1 1 1  -11    1   29 o  697.864   8.2640  3303.73   78.150  3332.64  111.102  3275.41  109.947  700.885   11.698  694.843   11.677 6.042236 16.52796 
1 1 1  -11    1   30 f  389.272   5.4549  1027.27   28.775  1029.19   40.715  1025.35   40.674  389.636   7.7110  388.907   7.7177 0.7283936 10.90978 
1 1 1  -11    1   31 o  584.636   7.1719  2317.88   56.819  2331.94   80.661  2304.02   80.052  586.396   10.150  582.876   10.135 3.520569 14.34384 
1 1 1  -11    1   32 o  607.596   7.3959  2503.71   60.896  2505.00   86.137  2502.41   86.102  607.754   10.459  607.438   10.460 0.3151245 14.79172 
1 1 1  -11    1   33 o  875.004   14.250  5201.08  168.897  5358.59  243.174  5054.27  234.760  887.784   20.213  862.224   20.092 25.56012 28.49994 
1 1 1  -11    1   34 o  833.309   11.834  4748.36  126.590  4818.94  156.423  4614.39  215.499  842.668   13.698  823.950   19.300 18.71844 23.66720 
1 1 1  -11    1   35 o  491.795   6.3399  1639.27   42.244  1676.71   60.444  1603.51   59.064  497.282   8.9694  486.307   8.9625 10.97556 12.67983 
1 1 1  -11    1   36 o  710.310   8.4032  3422.76   80.885  3442.65  114.798  3403.15  113.984  712.359   11.892  708.262   11.876 4.097534 16.80639 
1 1 1  -11    1   37 o  778.068   9.0863  4108.13   95.805  4096.65  135.322  4119.67  135.655  776.978   12.852  779.159   12.848 -2.180359 18.17262 
1 1 1  -11    1   38 o  680.189   8.1225  3138.62   74.866  3165.05  106.406  3112.71  105.355  683.024   11.496  677.354   11.478 5.670105 16.24491 
1 1 1  -11    1   39 o  687.485   8.1999  3206.08   76.384  3259.31  109.064  3154.84  107.012  693.082   11.612  681.887   11.581 11.19513 16.39986 
1 1 1  -11    1   40 o  816.199   9.4806  4522.71  104.861  4536.32  148.512  4509.17  148.081  817.424   13.407  814.974   13.408 2.450134 18.96124 
1 1 1  -11    1   41 o  641.176   7.7544  2789.44   67.376  2783.08   95.160  2795.83   95.410  640.443   10.965  641.908   10.968 -1.465088 15.50882 
1 1 1  -11    1   42 o  643.061   7.7758  2806.09   67.760  2788.67   95.472  2823.77   96.185  641.051   10.990  645.072   11.003 -4.021301 15.55158 
1 1 1  -11    1   43 o  570.314   7.0912  2206.83   54.804  2209.05   77.550  2204.61   77.460  570.601   10.029  570.028   10.028 0.5733643 14.18233 
1 1 1  -11    1   44 f  447.761   7.3624  1366.44   42.362  1341.76   72.168  1379.42   52.325  444.552   11.980  450.970   8.5621 -6.417847 14.72481 
1 1 1  -11    1   45 o  597.359   10.376  2425.52   83.995  2402.67  118.252  2448.80  119.330  594.518   14.678  600.200   14.671 -5.681396 20.75298 
1 1 1  -11    1   46 o  483.833   6.3273  1588.22   41.486  1582.66   58.577  1593.81   58.763  482.983   8.9497  484.683   8.9467 -1.699860 12.65467 
1 1 1  -11    1   47 o  186.514   4.5265  235.899   11.439  241.297   16.198  230.529   16.156  188.644   6.3363  184.384   6.4659 4.259918 9.052979 
1 1 1  -11    1   48 o  315.613   5.0516  675.560   21.605  669.486   30.387  681.769   30.723  314.179   7.1372  317.047   7.1509 -2.868439 10.10324 
1 1 1  -11    1   49 o  675.336   8.1235  3098.09   74.332  3156.89  106.283  3041.79  103.998  681.604   11.507  669.069   11.470 12.53485 16.24707 
1 1 1  -11    1   50 o  649.816   9.6948  2859.09   80.058  2831.64   97.336  2916.50  140.755  645.512   11.127  654.120   15.879 -8.607910 19.38969 
1 1 1  -11    1   51 o  452.384   8.6938  1392.10   53.296  1402.57   75.543  1381.73   75.201  454.080   12.277  450.688   12.313 3.391449 17.38753 
1 1 1  -11    1   52 o  388.229   5.5758  1022.69   29.329  1000.04   41.037  1046.34   41.933  383.836   7.8894  392.622   7.8814 -8.786530 11.15166 
1 1 1  -11    1   53 o  401.739   5.6856  1095.73   30.953  1104.70   43.884  1086.85   43.664  403.376   8.0281  400.101   8.0532 3.275482 11.37122 
1 1 1  -11    1   54 o  192.841   4.5753  252.328   11.956  250.960   16.892  253.702   16.925  192.317   6.4817  193.366   6.4592 -1.049133 9.150610 
1 1 1  -11    1   55 o  264.963   4.8118  476.447   17.276  485.276   24.552  467.788   24.313  267.396   6.7757  262.530   6.8340 4.866058 9.623631 
1 1 1  -11    1   56 o  283.478   4.9294  545.518   18.936  550.255   26.842  540.825   26.717  284.704   6.9572  282.252   6.9851 2.452087 9.858733 
1 1 1  -11    1   57 o  530.398   6.8088  1913.29   48.936  1939.17   69.693  1888.12   68.728  533.934   9.6320  526.861   9.6262 7.073669 13.61760 
1 1 1  -11    1   58 o  388.476   5.6216  1025.43   29.594  1024.99   41.751  1025.87   41.954  388.395   7.9325  388.556   7.9677 -0.1614380 11.24318 
1 1 1  -11    1   59 o  230.053   4.7153  359.023   14.688  380.601   21.097  338.727   20.461  236.762   6.5754  223.345   6.7602 13.41666 9.430557 
1 1 1  -11    1   60 o   68.393   6.9302   31.817   6.4181   33.624   9.2247   30.121   8.9354   70.277   9.6862   66.509   9.9140 3.768303 13.86041 
1 1 1  -11    1   61 o  113.802   7.0216   88.220   10.828   88.930   15.300   87.507   15.327  114.264   9.8812  113.340   9.9788 0.9237289 14.04325 
1 1 1  -11    1   62 o  322.743   6.3279  713.400   26.291  723.420   32.584  694.704   44.509  326.247   7.3700  319.239   10.288 7.008301 12.65579 
1 1 1  -11    1   63 o  218.503   4.7480  324.328   14.055  334.600   20.003  314.310   19.754  221.926   6.6514  215.081   6.7775 6.845016 9.496084 
1 1 1  -11    1   64 o  202.154   4.7389  277.702   12.981  278.878   18.268  276.504   18.449  202.590   6.6542  201.718   6.7489 0.8721313 9.477699 
1 1 1  -11    1   65 o  229.144   4.8182  356.908   14.960  359.757   21.079  354.015   21.237  230.071   6.7608  228.217   6.8668 1.854462 9.636464 
1 1 1  -11    1   66 o  357.336   6.8037  867.460   30.826  861.304   37.428  880.442   54.353  355.779   7.7630  358.895   11.176 -3.115997 13.60738 
1 1 1  -11    1   67 o  267.185   6.2025  491.397   21.119  471.676   36.351  501.445   25.946  262.829   10.206  271.541   7.0511 -8.711914 12.40496 
1 1 1  -11    1   68 o  139.387   5.0867  132.171   9.6072  134.779   13.625  129.592   13.549  140.758   7.1429  138.016   7.2441 2.742737 10.17345 
1 1 1  -11    1   69 o  219.925   4.9226  329.010   14.671  330.131   20.762  327.892   20.733  220.300   6.9547  219.550   6.9685 0.7499390 9.845202 
1 1 1  -11    1   70 o  273.775   5.0645  510.077   18.789  514.320   26.584  505.842   26.560  274.917   7.1356  272.633   7.1890 2.284058 10.12910 
1 1 1  -11    1   71 o  276.350   5.0769  519.731   19.011  511.430   26.665  528.312   27.110  274.106   7.1787  278.593   7.1809 -4.487061 10.15377 
1 1 1  -11    1   72 o  185.723   4.9361  234.412   12.404  253.663   17.905  216.647   17.200  193.059   6.8438  178.386   7.1151 14.67300 9.872277 
1 1 1  -11    1   73 o  304.594   5.2806  632.200   21.794  632.981   30.613  631.399   31.035  304.797   7.4116  304.390   7.5238 0.4069214 10.56123 
1 1 1  -11    1   74 o  270.028   6.1095  489.137   21.279  469.984   26.101  527.096   36.745  262.595   7.3348  277.462   9.7726 -14.86685 12.21898 
1 1 1  -11    1   75 o  118.870   7.8393   96.446   12.628   0.0000   0.0000   96.446   12.628  ?   ?   118.870   7.8393      ?      ? 
1 1 1  -11    1   76 o  114.104   7.8192   89.194   12.052   99.699   17.704   80.121   16.453  120.367   10.854  107.841   11.259 12.52651 15.63848 
1 1 1  -11    1   77 f   92.765   6.3657   59.142   7.9802   63.519   11.213   54.649   11.360   96.301   8.5926   89.230   9.3944 7.070915 12.73138 
1 1 1  -11    1   78 o  134.338   5.3563  123.315   9.7463  127.390   14.047  119.532   13.535  136.472   7.5953  132.203   7.5547 4.269119 10.71268 
1 1 1  -11    1   79 o   99.116   6.1077   67.493   8.2010   65.880   11.637   69.086   11.560   97.919   8.7696  100.314   8.5037 -2.395409 12.21549 
1 1 1  -11    1   80 o  222.456   6.1901  333.843   17.497  321.784   21.153  359.969   31.134  216.777   7.2008  228.136   10.071 -11.35922 12.38030 
1 1 1  -11    1   81 o  139.236   6.9534  140.862   11.939  116.996   20.845  152.512   14.564  129.327   11.894  149.146   7.2061 -19.81854 13.90687 
1 1 1  -11    1   82 o   71.150   9.2661   34.504   8.2155   44.772   14.483   29.633   9.9759   78.258   14.178   64.041   11.934 14.21713 18.53228 
1 1 1  -11    1   83 o  102.285   7.3490   73.705   9.5554   74.967   11.720   71.203   16.503  104.159   8.3033  100.411   12.128 3.747871 14.69794 
1 1 1  -11    1   84 o  138.407   6.3860  128.863   11.317  120.586   13.713  146.538   20.039  132.164   7.6564  144.650   10.223 -12.48573 12.77203 
1 1 1  -11    1   85 o  133.681   5.3274  123.521   9.6485  119.651   13.535  127.519   13.757  131.531   7.5938  135.830   7.4740 -4.299133 10.65490 
1 1 1  -11    1   86 o   63.086   8.1299   28.810   6.8020   27.102   9.5877   30.540   9.6516   60.566   12.105   65.607   10.856 -5.041046 16.25985 
1 1 1  -11    1   87 o  121.717   5.4132  103.018   8.9236  103.610   12.437  102.390   12.811  122.133   7.5142  121.300   7.7939 0.8337021 10.82633 
1 1 1  -11    1   88 o   61.989   9.6069   30.063   7.7233   24.604   12.880   33.128   9.6509   55.868   16.119   68.110   10.456 -12.24226 19.21379 
1 1 1  -11    1   89 o   51.335   11.161   20.673   8.5836   23.764   12.142   17.586   12.136   54.767   15.605   47.903   15.961 6.864201 22.32150 
1 1 1  -11    1   90 o   39.909   10.570   10.143   7.9375   5.3732   11.484   14.506   10.983   35.760   14.716   44.058   15.178 -8.298420 21.14093 
1 1 1  -11    1   91 o  106.925   8.0052   83.420   11.447  102.114   16.760   67.074   15.672  118.730   10.417   95.120   12.158 23.61016 16.01044 
1 1 1  -11    1   92 o   86.553   12.923   56.515   15.157   56.515   15.157   0.0000   0.0000   86.553   12.923  ?   ?       ?      ? 
1 1 1  -11    2    1 o  376.975   6.3466  970.905   30.772  986.428   38.112  941.828   52.160  381.406   7.3737  372.544   10.332 8.861969 12.69326 
1 1 1  -11    2    2 o  468.165   7.3380  1497.80   44.188  1521.34   54.726  1453.71   74.900  473.603   8.5270  462.728   11.945 10.87558 14.67595 
1 1 1  -11    2    3 o  298.592   5.5762  607.115   21.423  612.664   26.494  596.636   36.411  300.612   6.5035  296.572   9.0599 4.040222 11.15246 
1 1 1  -11    2    4 o  150.371   4.5651  153.737   8.9007  154.829   11.100  151.769   14.896  151.134   5.4198  149.608   7.3475 1.526337 9.130128 
1 1 1  -11    2    5 o  222.294   4.9450  330.301   14.115  349.717   24.526  320.685   17.260  227.087   7.9699  217.501   5.8560 9.586487 9.890010 
1 1 1  -11    2    6 o  236.976   5.9228  380.690   19.020   0.0000   0.0000  380.690   19.020  ?   ?   236.976   5.9228      ?      ? 
1 1 1  -11    2    7 o  161.508   4.7963  173.087   9.8694  166.245   11.946  187.795   17.516  156.604   5.6291  166.412   7.7674 -9.807800 9.592672 
1 1 1  -11    2    8 o  307.130   5.7701  640.163   22.541  638.487   39.358  640.981   27.497  306.781   9.4672  307.478   6.5992 -0.6971436 11.54029 
1 1 1  -11    2    9 o  460.216   7.3129  1438.73   42.913  1432.84   74.535  1441.66   52.484  459.392   11.973  461.040   8.4006 -1.647034 14.62582 
1 1 1  -11    2   10 o  378.429   5.2419  971.005   26.880  981.090   38.249  961.164   37.783  380.370   7.4205  376.488   7.4057 3.881866 10.48372 
1 1 1  -11    2   11 o  303.183   4.6637  623.208   19.160  616.617   27.048  629.846   27.146  301.573   6.6185  304.792   6.5722 -3.219421 9.327307 
1 1 1  -11    2   12 o  224.829   4.1764  342.671   12.724  343.528   18.059  341.826   17.931  225.108   5.9199  224.551   5.8927 0.5577850 8.352824 
1 1 1  -11    2   13 o  223.090   4.1781  337.398   12.631  334.164   17.841  340.647   17.884  222.018   5.9300  224.162   5.8875 -2.143967 8.356273 
1 1 1  -11    2   14 f  130.172   3.9700  114.869   7.0030  114.098   9.9032  115.640   9.9044  129.734   5.6330  130.609   5.5959 -0.8744965 7.940062 
1 1 1  -11    2   15 o  484.612   7.6050  1580.70   46.738  1556.61   56.632  1632.15   82.765  479.021   8.7241  490.202   12.459 -11.18097 15.20991 
1 1 1  -11    2   16 o  632.458   7.5910  2715.22   65.060  2722.06   92.137  2708.42   91.882  633.253   10.737  631.664   10.734 1.588806 15.18210 
1 1 1  -11    2   17 o  352.243   5.0800  840.917   24.242  865.823   34.744  817.289   33.841  357.323   7.1752  347.163   7.1933 10.16016 10.16001 
1 1 1  -11    2   18 o  296.130   4.6605  594.355   18.698  577.628   26.173  611.790   26.721  291.876   6.6172  300.384   6.5645 -8.508728 9.320945 
1 1 1  -11    2   19 o  433.694   5.7510  1275.72   33.799  1282.67   47.910  1268.84   47.689  434.869   8.1299  432.519   8.1364 2.350433 11.50196 
1 1 1  -11    2   20 o  475.819   6.1340  1535.54   39.549  1513.54   55.528  1558.18   56.342  472.361   8.6747  479.277   8.6749 -6.916199 12.26800 
1 1 1  -11    2   21 o  462.229   6.0094  1448.62   37.634  1416.66   52.629  1482.06   53.838  457.014   8.4979  467.444   8.4992 -10.43011 12.01872 
1 1 1  -11    2   22 o  166.257   4.0828  187.333   9.1964  181.579   12.910  193.262   13.104  163.665   5.8207  168.850   5.7268 -5.184692 8.165601 
1 1 1  -11    2   23 o  644.769   7.7243  2820.88   67.487  2850.36   96.060  2792.15   94.834  648.094   10.938  641.445   10.910 6.649414 15.44855 
1 1 1  -11    2   24 o  631.673   9.2806  2699.21   74.826  2679.67   91.402  2738.93  130.293  628.436   10.733  634.910   15.144 -6.473938 18.56120 
1 1 1  -11    2   25 o  511.734   7.8876  1770.71   51.580  1758.59   63.082  1795.16   89.593  509.218   9.1416  514.250   12.856 -5.031616 15.77512 
1 1 1  -11    2   26 o  538.247   6.7336  1963.14   49.093  2025.81   70.693  1904.76   68.229  546.536   9.5450  529.958   9.5004 16.57727 13.46723 
1 1 1  -11    2   27 o  938.089   13.114  5991.77  157.293  5954.21  271.487  6010.75  192.983  935.354   21.419  940.823   15.137 -5.468994 26.22730 
1 1 1  -11    2   28 o  897.360   10.267  5466.67  124.854  5470.31  176.671  5463.03  176.469  897.658   14.523  897.062   14.517 0.5964355 20.53440 
1 1 1  -11    2   29 o  328.868   4.9742  733.112   22.168  738.664   31.453  727.631   31.248  330.105   7.0311  327.631   7.0381 2.474701 9.948421 
1 1 1  -11    2   30 o  351.045   5.1459  835.206   24.478  820.397   34.363  850.461   34.876  347.886   7.2890  354.203   7.2659 -6.317505 10.29189 
1 1 1  -11    2   31 o  430.021   5.7819  1253.53   33.692  1268.20   47.917  1239.19   47.383  432.508   8.1754  427.534   8.1783 4.974335 11.56384 
1 1 1  -11    2   32 o  413.541   6.8898  1150.91   36.299  1185.26   63.675  1134.37   44.181  418.023   11.241  409.058   7.9702 8.964294 13.77953 
1 1 1  -11    2   33 o  252.273   6.4608  431.642   22.071  452.105   31.301  411.407   31.126  258.225   8.9451  246.320   9.3249 11.90404 12.92160 
1 1 1  -11    2   34 o  278.402   4.7056  525.374   17.752  526.501   25.015  524.231   25.197  278.703   6.6233  278.101   6.6861 0.6022949 9.411231 
1 1 1  -11    2   35 o  151.050   4.3660  154.560   8.9344  149.878   12.476  159.489   12.800  148.703   6.1912  153.397   6.1578 -4.694427 8.732100 
1 1 1  -11    2   36 o  569.960   7.0612  2202.93   54.537  2224.31   77.534  2181.99   76.726  572.697   9.9904  567.223   9.9818 5.473877 14.12247 
1 1 1  -11    2   37 o  657.895   7.9053  2936.16   70.478  2929.56   99.527  2942.80   99.815  657.154   11.176  658.636   11.183 -1.482178 15.81051 
1 1 1  -11    2   38 o  244.258   4.5730  404.104   15.129  387.208   21.093  422.007   21.713  239.003   6.5125  249.513   6.4215 -10.51015 9.145988 
1 1 1  -11    2   39 o  532.895   6.7327  1925.87   48.618  1910.10   68.388  1941.98   69.131  530.690   9.5094  535.100   9.5336 -4.409973 13.46545 
1 1 1  -11    2   40 o  218.808   4.4900  324.445   13.310  334.564   18.996  314.684   18.656  222.159   6.3097  215.457   6.3897 6.702744 8.980036 
1 1 1  -11    2   41 o  349.778   5.2184  829.518   24.735  833.138   35.001  825.907   34.959  350.540   7.3682  349.015   7.3915 1.525208 10.43673 
1 1 1  -11    2   42 o  324.741   5.0666  714.858   22.294  701.138   31.268  729.045   31.796  321.572   7.1752  327.910   7.1554 -6.337982 10.13328 
1 1 1  -11    2   43 o  257.921   4.7014  451.009   16.432  448.745   23.196  453.289   23.281  257.271   6.6534  258.570   6.6442 -1.299683 9.402812 
1 1 1  -11    2   44 o  547.693   9.7198  2038.02   72.138  2045.96  102.506  2030.22  101.538  548.746   13.785  546.641   13.707 2.105164 19.43966 
1 1 1  -11    2   45 o  676.432   9.9218  3104.70   85.775  3094.25  105.016  3125.64  148.670  675.072   11.479  677.792   16.186 -2.720032 19.84367 
1 1 1  -11    2   46 o  411.694   5.7392  1149.72   32.019  1149.35   45.218  1150.09   45.345  411.628   8.1063  411.760   8.1265 -0.1315613 11.47837 
1 1 1  -11    2   47 o  420.316   5.8143  1198.11   33.111  1171.40   46.318  1226.02   47.351  415.527   8.2257  425.105   8.2196 -9.577820 11.62857 
1 1 1  -11    2   48 o  190.331   4.5570  245.636   11.753  241.937   16.524  249.423   16.720  188.881   6.4557  191.781   6.4334 -2.900452 9.114004 
1 1 1  -11    2   49 o  198.357   4.5942  266.867   12.348  269.318   17.421  264.392   17.506  199.274   6.4512  197.441   6.5429 1.833313 9.188422 
1 1 1  -11    2   50 o  533.549   8.3737  1916.50   56.670  1882.31   68.642  1989.69  100.429  526.465   9.6214  540.633   13.708 -14.16779 16.74749 
1 1 1  -11    2   51 f  357.243   6.5566  859.213   29.829  888.745   52.414  845.067   36.276  361.605   10.696  352.881   7.5860 8.724487 13.11322 
1 1 1  -11    2   52 o  277.835   4.8683  523.567   18.324  541.565   26.174  506.266   25.662  282.518   6.8365  273.151   6.9327 9.367889 9.736537 
1 1 1  -11    2   53 o  298.081   4.9759  602.939   20.098  614.847   28.564  591.265   28.283  300.997   7.0029  295.164   7.0710 5.833221 9.951831 
1 1 1  -11    2   54 o  320.527   5.1160  697.360   22.221  706.297   31.532  688.544   31.319  322.568   7.2134  318.485   7.2567 4.083130 10.23195 
1 1 1  -11    2   55 o  497.727   6.5044  1683.78   43.870  1700.28   62.367  1667.62   61.720  500.139   9.2020  495.314   9.1953 4.825134 13.00880 
1 1 1  -11    2   56 o  512.299   6.6510  1783.40   46.158  1735.66   64.264  1834.27   66.339  505.226   9.3863  519.372   9.4256 -14.14594 13.30207 
1 1 1  -11    2   57 o  284.084   4.9383  547.843   19.008  560.059   27.104  536.018   26.666  287.202   6.9639  280.967   7.0035 6.235077 9.876500 
1 1 1  -11    2   58 o  269.147   4.8535  491.874   17.702  497.509   25.111  486.309   24.957  270.681   6.8459  267.613   6.8818 3.067230 9.706969 
1 1 1  -11    2   59 o  270.798   4.8717  498.035   17.877  500.822   25.255  495.237   25.310  271.560   6.8628  270.037   6.9164 1.523132 9.743424 
1 1 1  -11    2   60 o  352.715   6.6056  858.814   30.013  806.717   50.240  887.726   37.426  344.015   10.777  361.414   7.6416 -17.39880 13.21112 
1 1 1  -11    2   61 o  307.397   6.2693  658.476   24.889  699.869   31.400  588.511   40.824  320.929   7.2200  293.865   10.251 27.06442 12.53869 
1 1 1  -11    2   62 o  341.718   6.4728  799.119   28.502  808.409   35.338  781.828   48.213  344.839   7.5621  338.598   10.507 6.240173 12.94563 
1 1 1  -11    2   63 o  430.716   6.0114  1262.51   35.086  1276.59   49.844  1248.69   49.398  433.098   8.4927  428.334   8.5102 4.763519 12.02288 
1 1 1  -11    2   64 o  301.409   5.1287  617.569   20.946  630.711   29.804  604.743   29.444  304.582   7.2208  298.237   7.2854 6.345154 10.25749 
1 1 1  -11    2   65 o  236.347   6.0534  375.770   17.999  368.196   21.635  392.797   32.439  232.737   6.8598  239.957   9.9758 -7.220505 12.10672 
1 1 1  -11    2   66 o  117.414   6.8388   97.153   9.9567  102.373   12.069   86.034   17.616  122.686   7.2595  112.143   11.592 10.54321 13.67752 
1 1 1  -11    2   67 o  213.406   5.9600  309.965   16.164  310.998   28.298  309.465   19.693  213.472   9.7820  213.339   6.8117 0.1326294 11.92003 
1 1 1  -11    2   68 o  334.609   5.3661  761.983   24.330  751.956   34.196  772.263   34.625  332.379   7.5921  336.838   7.5855 -4.459595 10.73215 
1 1 1  -11    2   69 o  212.396   5.9776  316.146   16.363  339.447   20.668  277.012   26.785  223.396   6.8270  201.397   9.8141 21.99937 11.95512 
1 1 1  -11    2   70 o  147.292   7.0641  146.876   14.028  168.439   20.958  129.372   18.882  157.012   9.8500  137.571   10.128 19.44072 14.12824 
1 1 1  -11    2   71 o  165.761   6.2563  190.454   13.097  179.144   22.806  196.019   15.999  161.807   10.401  169.714   6.9563 -7.907166 12.51260 
1 1 1  -11    2   72 o  183.265   4.9305  228.592   12.242  235.296   17.441  222.081   17.188  185.920   6.9225  180.611   7.0226 5.308426 9.860945 
1 1 1  -11    2   73 o  137.111   5.2529  128.117   9.7561  132.859   13.849  123.446   13.747  139.641   7.3183  134.581   7.5375 5.060272 10.50578 
1 1 1  -11    2   74 o   91.054   6.3933   56.711   7.8835   59.251   11.173   54.192   11.125   93.102   8.8558   89.005   9.2236 4.096756 12.78669 
1 1 1  -11    2   75 o  148.057   6.2092  151.594   11.899  144.172   19.772  155.809   14.900  144.965   10.065  151.149   7.2743 -6.183884 12.41831 
1 1 1  -11    2   76 o  241.774   6.1688  412.948   19.180  447.385   24.254  355.460   31.338  256.106   6.9884  227.443   10.167 28.66312 12.33752 
1 1 1  -11    2   77 o  257.977   6.1029  456.009   20.261  455.940   25.017  456.139   34.541  258.403   7.1443  257.550   9.8966 0.8536377 12.20584 
1 1 1  -11    2   78 o  133.927   5.2928  122.693   9.6047  120.381   13.571  125.014   13.595  132.652   7.5497  135.203   7.4201 -2.550812 10.58559 
1 1 1  -11    2   79 o  154.420   6.3910  163.658   12.477  162.931   15.128  165.204   22.067  154.307   7.2344  154.533   10.538 -0.2254486 12.78200 
1 1 1  -11    2   80 o  185.939   6.2679  238.902   14.740  240.301   17.924  235.980   25.904  187.338   7.0604  184.540   10.358 2.797379 12.53574 
1 1 1  -11    2   81 o   39.769   10.476   8.8673   7.2782   10.030   12.379   8.2533   8.9975   42.201   15.898   37.337   13.647 4.863873 20.95201 
1 1 1  -11    2   82 o  102.861   7.0417   70.747   9.2627   82.174   16.508   65.497   11.190  108.327   11.245   97.395   8.4785 10.93175 14.08348 
1 1 1  -11    2   83 o   80.957   6.6994   45.806   7.2315   36.038   10.070   56.206   10.391   71.798   10.350   90.116   8.5091 -18.31797 13.39885 
1 1 1  -11    2   84 o   81.786   6.5115   46.634   7.2064   49.481   10.198   43.795   10.185   84.349   8.9221   79.222   9.4866 5.127472 13.02303 
1 1 1  -11    2   85 o  166.327   5.0439  190.972   11.362  182.588   15.977  199.551   16.162  162.582   7.2517  170.072   7.0126 -7.489838 10.08783 
1 1 1  -11    2   86 f   60.070   9.5197   29.080   7.6195   17.867   12.557   35.614   9.5857   49.076   16.230   71.064   9.9539 -21.98758 19.03930 
1 1 1  -11    2   87 o   49.068   11.504   17.093   9.0547   11.353   11.977   24.749   13.833   42.006   15.674   56.131   16.843 -14.12529 23.00775 
1 1 1  -11    2   88 o   43.196   11.199   12.609   8.5577   10.924   11.563   14.650   12.725   41.081   15.387   45.311   16.277 -4.229591 22.39827 
1 1 1  -11    2   89 o   68.652   10.086   36.464   9.4545   56.194   13.804   19.033   12.975   87.841   11.597   49.463   16.505 38.37886 20.17153 
1 1 1  -11    2   90 o   48.321   11.157   18.313   8.4021   18.744   11.963   17.893   11.804   48.789   15.827   47.853   15.731 0.9362259 22.31490 
1 1 1  -11    2   91 o  101.892   11.246   76.106   15.528   76.106   15.528   0.0000   0.0000  101.892   11.246  ?   ?       ?      ? 
1 1 1  -11    2   92 o   81.459   12.840   50.068   14.174   50.068   14.174   0.0000   0.0000   81.459   12.840  ?   ?       ?      ? 
1 1 1  -11    3    1 o  264.996   4.3654  476.077   15.676  471.887   22.107  480.314   22.232  263.823   6.1836  266.168   6.1636 -2.345673 8.730813 
1 1 1  -11    3    2 o  216.130   5.7751  316.671   16.914  316.671   16.914   0.0000   0.0000  216.130   5.7751  ?   ?       ?      ? 
1 1 1  -11    3    3 o  235.449   4.7643  381.756   13.477  388.847   15.837  363.137   25.663  239.515   4.8793  231.384   8.1846 8.131119 9.528674 
1 1 1  -11    3    4 o  299.648   5.2422  611.782   18.750  615.028   21.876  602.795   36.400  301.213   5.3593  298.082   9.0112 3.131683 10.48444 
1 1 1  -11    3    5 o  509.905   7.3345  1766.89   44.208  1769.27   51.258  1759.98   87.346  510.783   7.4053  509.026   12.663 1.757141 14.66898 
1 1 1  -11    3    6 o  499.696   7.2467  1710.85   43.028  1728.81   50.146  1660.72   83.787  504.913   7.3288  494.479   12.504 10.43436 14.49342 
1 1 1  -11    3    7 o  300.535   6.5442  612.396   26.652  612.396   26.652   0.0000   0.0000  300.535   6.5442  ?   ?       ?      ? 
1 1 1  -11    3    8 o  233.314   5.2210  370.321   15.407  365.875   27.128  372.438   18.719  232.241   8.6199  234.387   5.8934 -2.145828 10.44202 
1 1 1  -11    3    9 o  215.094   5.0852  310.348   13.798  322.956   24.728  304.647   16.628  218.202   8.3626  211.986   5.7883 6.215103 10.17041 
1 1 1  -11    3   10 o  258.787   4.3608  454.003   15.292  457.889   21.767  450.216   21.489  259.880   6.1806  257.694   6.1535 2.185913 8.721600 
1 1 1  -11    3   11 o  391.706   7.6788  1041.19   40.753  1064.67   58.260  1018.69   57.027  396.030   10.856  387.383   10.863 8.647705 15.35765 
1 1 1  -11    3   12 o  469.236   7.4542  1498.27   44.616  1505.75   54.629  1483.30   77.317  471.138   8.5564  467.334   12.209 3.804382 14.90840 
1 1 1  -11    3   13 o  418.789   5.5996  1189.43   31.777  1202.02   45.186  1177.11   44.697  420.981   7.9207  416.598   7.9174 4.383942 11.19919 
1 1 1  -11    3   14 o  441.454   5.8033  1321.85   34.717  1317.22   49.009  1326.50   49.186  440.679   8.2068  442.228   8.2075 -1.549744 11.60665 
1 1 1  -11    3   15 o  449.168   7.2470  1369.90   41.444  1371.15   50.601  1367.37   72.233  449.605   8.3051  448.731   11.879 0.8736267 14.49402 
1 1 1  -11    3   16 o  400.917   5.4552  1089.93   29.636  1074.47   41.628  1105.82   42.201  398.034   7.7176  403.801   7.7122 -5.766693 10.91049 
1 1 1  -11    3   17 o  676.824   8.0227  3109.91   73.583  3116.51  104.184  3103.35  103.941  677.540   11.347  676.108   11.345 1.431946 16.04540 
1 1 1  -11    3   18 o  696.280   8.2164  3290.62   77.516  3239.11  108.568  3344.18  110.711  690.726   11.599  701.834   11.641 -11.10858 16.43280 
1 1 1  -11    3   19 o  676.426   8.0340  3104.72   73.629  3044.02  102.906  3168.39  105.393  669.657   11.340  683.195   11.384 -13.53802 16.06794 
1 1 1  -11    3   20 o  1038.65   11.730  7336.04  165.090  7394.81  234.744  7278.52  232.221  1042.76   16.612  1034.54   16.564 8.221191 23.45937 
1 1 1  -11    3   21 o  883.885   10.120  5307.37  121.221  5303.56  171.351  5311.20  171.514  883.567   14.311  884.202   14.314 -0.6356201 20.24093 
1 1 1  -11    3   22 o  576.392   8.6298  2267.39   63.942  2294.61   79.063  2215.94  108.714  581.587   10.032  571.197   14.045 10.38922 17.25962 
1 1 1  -11    3   23 o  713.540   10.280  3480.53   94.314  3531.12  116.735  3385.43  160.051  721.330   11.942  705.750   16.735 15.57953 20.55904 
1 1 1  -11    3   24 o  1185.92   13.273  9564.12  213.307  9505.87  300.447  9623.32  302.892  1182.29   18.753  1189.56   18.790 -7.272583 26.54646 
1 1 1  -11    3   25 o  1041.82   11.762  7372.90  166.042  7277.28  232.835  7471.85  236.855  1034.95   16.601  1048.69   16.667 -13.73328 23.52425 
1 1 1  -11    3   26 o  616.225   9.1617  2572.47   71.940  2590.11  125.453  2563.83   87.812  617.635   14.989  614.816   10.540 2.819275 18.32345 
1 1 1  -11    3   27 o  401.290   6.8135  1096.96   34.941  1077.05   60.204  1107.07   42.907  398.476   11.149  404.104   7.8352 -5.628082 13.62691 
1 1 1  -11    3   28 o  630.996   7.6199  2700.13   65.152  2667.56   91.495  2733.62   92.797  627.138   10.766  634.854   10.786 -7.715881 15.23981 
1 1 1  -11    3   29 o  977.508   11.096  6487.38  146.982  6540.33  209.001  6435.56  206.746  981.452   15.714  973.565   15.671 7.886963 22.19263 
1 1 1  -11    3   30 o  1241.35   16.989 10493.89  269.475 10484.52  466.259 10498.58  330.211  1239.93   27.749  1242.76   19.607 -2.834229 33.97732 
1 1 1  -11    3   31 o  819.829   11.620  4571.40  121.930  4542.84  210.046  4585.91  149.743  817.589   18.958  822.069   13.442 -4.480103 23.23987 
1 1 1  -11    3   32 o  479.052   7.6862  1565.21   47.066  1583.15   57.845  1530.08   80.963  483.216   8.8336  474.887   12.581 8.328705 15.37248 
1 1 1  -11    3   33 o  1033.75   14.347  7240.75  188.777  7192.30  230.013  7340.75  330.418  1029.08   16.494  1038.41   23.481 -9.325562 28.69477 
1 1 1  -11    3   34 o  968.956   11.018  6374.87  144.675  6334.81  203.745  6415.60  205.468  965.889   15.566  972.024   15.599 -6.134949 22.03667 
1 1 1  -11    3   35 o  946.371   10.794  6080.97  138.428  6128.42  196.748  6034.46  194.799  950.023   15.282  942.718   15.248 7.305847 21.58856 
1 1 1  -11    3   36 o  1198.89   13.426  9770.55  218.104  9911.30  311.387  9634.99  305.586  1207.35   19.032  1190.43   18.943 16.92883 26.85242 
1 1 1  -11    3   37 o  874.183   10.058  5188.58  119.148  5178.13  168.263  5199.09  168.740  873.301   14.218  875.065   14.230 -1.764648 20.11563 
1 1 1  -11    3   38 o  629.359   7.6495  2686.92   65.236  2717.13   92.810  2657.42   91.716  632.855   10.822  625.863   10.814 6.992065 15.29892 
1 1 1  -11    3   39 o  611.043   7.4690  2532.82   61.843  2560.85   88.029  2505.51   86.901  614.380   10.573  607.706   10.552 6.673645 14.93802 
1 1 1  -11    3   40 o  474.067   6.2181  1524.19   39.946  1530.62   56.567  1517.81   56.419  475.063   8.7867  473.070   8.8008 1.992889 12.43621 
1 1 1  -11    3   41 o  339.868   5.1641  783.200   23.784  786.902   33.694  779.525   33.578  340.668   7.2986  339.068   7.3077 1.600830 10.32825 
1 1 1  -11    3   42 o  473.478   6.2258  1520.57   39.946  1528.80   56.649  1512.44   56.337  474.752   8.8053  472.205   8.8040 2.546295 12.45162 
1 1 1  -11    3   43 o  682.438   10.020  3161.96   87.358  3173.22  151.429  3156.35  106.950  683.017   16.360  681.859   11.574 1.158142 20.04076 
1 1 1  -11    3   44 o  731.660   12.235  3643.90  121.304  3670.96  172.838  3617.64  170.289  734.323   17.369  728.996   17.238 5.326843 24.47061 
1 1 1  -11    3   45 o  364.638   5.3815  901.304   26.584  931.376   38.066  872.676   37.141  370.573   7.5803  358.702   7.6408 11.87057 10.76299 
1 1 1  -11    3   46 o  184.214   4.5388  230.109   11.330  229.607   16.041  230.607   16.006  184.013   6.4330  184.414   6.4046 -0.4008636 9.077559 
1 1 1  -11    3   47 o  359.974   5.3536  878.916   26.114  867.151   36.698  890.986   37.168  357.534   7.5742  362.415   7.5680 -4.880768 10.70716 
1 1 1  -11    3   48 o  422.144   5.8340  1209.03   33.370  1187.73   46.802  1231.06   47.594  418.361   8.2552  425.926   8.2459 -7.564514 11.66803 
1 1 1  -11    3   49 o  216.258   5.8311  317.291   15.868  317.089   19.164  317.731   28.302  216.215   6.5404  216.301   9.6555 -0.8552551E-01 11.66219 
1 1 1  -11    3   50 o  399.277   6.9846  1092.18   35.857  1053.58   60.720  1112.85   44.432  393.643   11.383  404.911   8.0975 -11.26770 13.96910 
1 1 1  -11    3   51 o  450.861   7.4598  1373.34   42.824  1406.53   75.091  1357.35   52.133  454.628   12.188  447.095   8.6046 7.532837 14.91964 
1 1 1  -11    3   52 o  419.767   5.8472  1195.95   33.254  1168.60   46.445  1224.73   47.634  414.844   8.2617  424.689   8.2767 -9.845001 11.69442 
1 1 1  -11    3   53 o  377.403   5.5045  966.891   28.149  985.294   40.124  949.056   39.500  380.940   7.7726  373.866   7.7964 7.073273 11.00894 
1 1 1  -11    3   54 f  184.360   4.6220  230.554   11.542  240.098   16.502  221.411   16.151  188.097   6.4740  180.623   6.5983 7.473511 9.243955 
1 1 1  -11    3   55 o  220.570   4.6602  330.089   13.923  344.148   19.885  316.565   19.502  225.181   6.5163  215.960   6.6639 9.220596 9.320395 
1 1 1  -11    3   56 o  232.802   4.7110  367.641   14.855  352.365   20.723  383.786   21.305  227.828   6.7122  237.775   6.6120 -9.947815 9.421918 
1 1 1  -11    3   57 o  226.656   4.6918  348.467   14.402  332.251   20.063  365.704   20.686  221.217   6.6927  232.095   6.5771 -10.87772 9.383499 
1 1 1  -11    3   58 o   66.472   6.7252   30.157   6.0268   33.783   8.5451   26.567   8.5015   70.476   8.9473   62.467   10.043 8.009350 13.45043 
1 1 1  -11    3   59 o  193.373   5.6512  253.599   14.006  255.999   24.152  252.383   17.193  193.960   9.1888  192.786   6.5810 1.173767 11.30237 
1 1 1  -11    3   60 f  383.836   5.6615  999.163   29.410  1059.66   42.875  945.401   40.418  394.780   8.0144  372.891   7.9986 21.88812 11.32293 
1 1 1  -11    3   61 o  295.957   6.1137  598.910   23.326  605.572   28.929  586.531   39.433  298.519   7.1513  293.394   9.9181 5.125366 12.22739 
1 1 1  -11    3   62 o  241.984   5.7441  389.050   17.892  370.056   21.850  427.703   31.169  233.363   6.9094  250.606   9.1781 -17.24347 11.48817 
1 1 1  -11    3   63 o  332.863   5.3057  753.007   23.925  779.838   34.259  727.466   33.426  338.654   7.4652  327.073   7.5415 11.58121 10.61150 
1 1 1  -11    3   64 o  241.072   6.1683  397.704   18.669  400.954   22.557  390.639   33.259  242.878   6.8536  239.267   10.258 3.610397 12.33660 
1 1 1  -11    3   65 o  213.757   6.8056  310.606   19.714  310.606   19.714   0.0000   0.0000  213.757   6.8056  ?   ?       ?      ? 
1 1 1  -11    3   66 o  109.802   6.8131   79.951   9.6508   89.687   16.796   75.152   11.792  114.555   10.820  105.049   8.2832 9.505875 13.62625 
1 1 1  -11    3   67 o  267.612   6.1891  494.845   21.177  467.312   36.048  509.355   26.169  261.573   10.170  273.651   7.0568 -12.07788 12.37827 
1 1 1  -11    3   68 o  225.119   6.9612  344.732   21.236  344.732   21.236   0.0000   0.0000  225.119   6.9612  ?   ?       ?      ? 
1 1 1  -11    3   69 o  377.040   5.6772  967.716   28.996  936.677   40.362  1000.82   41.682  370.796   8.0325  383.283   8.0250 -12.48764 11.35441 
1 1 1  -11    3   70 o  469.358   6.3903  1503.35   40.643  1522.22   57.793  1484.89   57.169  472.275   9.0302  466.442   9.0444 5.832184 12.78066 
1 1 1  -11    3   71 o  274.439   5.0689  512.791   18.851  511.390   26.676  514.188   26.643  274.062   7.1828  274.816   7.1543 -0.7540588 10.13784 
1 1 1  -11    3   72 o  157.416   5.0319  168.721   10.727  177.067   15.296  160.643   15.048  161.260   6.9995  153.573   7.2309 7.686340 10.06376 
1 1 1  -11    3   73 f  142.330   5.1545  138.051   9.9417  137.767   14.055  138.336   14.065  142.183   7.2943  142.477   7.2847 -0.2944183 10.30894 
1 1 1  -11    3   74 o  161.361   6.0260  176.666   12.549  182.096   21.428  173.831   15.482  163.032   9.6989  159.690   7.1542 3.342178 12.05203 
1 1 1  -11    3   75 o  179.968   5.0034  220.885   12.202  221.339   17.203  220.426   17.310  180.158   7.0463  179.777   7.1054 0.3814545 10.00687 
1 1 1  -11    3   76 o  190.289   6.0429  253.174   14.804  266.334   18.556  230.128   24.555  197.577   6.9304  183.002   9.9014 14.57481 12.08588 
1 1 1  -11    3   77 o  141.927   6.3402  141.744   11.575  150.738   14.550  126.240   19.104  148.532   7.2289  135.322   10.418 13.20990 12.68032 
1 1 1  -11    3   78 o   62.464   8.3574   27.723   6.8474   19.278   9.4352   37.119   9.9528   51.568   13.385   73.360   10.012 -21.79230 16.71488 
1 1 1  -11    3   79 o  209.255   6.2644  304.753   16.566  311.184   20.213  291.595   28.912  213.265   6.9939  205.246   10.395 8.019623 12.52885 
1 1 1  -11    3   80 o   56.367   8.7956   23.173   6.5487   25.976   9.1782   20.266   9.3467   60.054   11.699   52.680   13.137 7.374443 17.59113 
1 1 1  -11    3   81 o   94.078   7.5600   61.725   8.9798   61.536   15.846   61.815   10.899   93.491   12.508   94.666   8.4957 -1.174507 15.12008 
1 1 1  -11    3   82 o  110.593   6.9905   86.150   9.7726   82.164   17.005   88.116   11.941  108.104   11.608  113.083   7.7924 -4.979836 13.98102 
1 1 1  -11    3   83 o  121.261   7.5810  101.421   12.458  101.421   12.458   0.0000   0.0000  121.261   7.5810  ?   ?       ?      ? 
1 1 1  -11    3   84 o   79.989   6.7266   44.931   7.1899   54.201   10.296   36.106   10.045   88.306   8.6037   71.673   10.342 16.63271 13.45313 
1 1 1  -11    3   85 o  124.247   5.3587  106.980   9.0166  111.272   12.745  102.680   12.758  126.800   7.4171  121.694   7.7361 5.106232 10.71732 
1 1 1  -11    3   86 o  108.426   6.9160   83.997   9.5254   79.677   16.367   86.210   11.714  105.494   11.449  111.358   7.7622 -5.863670 13.83200 
1 1 1  -11    3   87 o   65.404   9.3988   31.682   7.7401   34.579   13.148   30.145   9.5752   66.896   14.887   63.911   11.478 2.984859 18.79753 
1 1 1  -11    3   88 o   62.945   9.4645   33.365   7.8073   18.155   12.866   42.230   9.8224   48.722   16.434   77.168   9.3930 -28.44603 18.92910 
1 1 1  -11    3   89 o   86.430   9.2098   55.912   10.195   74.461   15.005   40.006   13.895  101.400   10.920   71.460   14.834 29.93946 18.41966 
1 1 1  -11    3   90 f   51.701   11.108   21.479   8.5650   17.912   12.290   24.848   11.943   47.810   16.062   55.593   15.349 -7.783627 22.21663 
1 1 1  -11    3   91 o   52.615   15.889   22.564   12.282   22.564   12.282   0.0000   0.0000   52.615   15.889  ?   ?       ?      ? 
1 1 1  -11    3   92 o   96.737   11.768   69.609   15.427   69.609   15.427   0.0000   0.0000   96.737   11.768  ?   ?       ?      ? 
1 1 1  -11    3   93 o   51.670   16.043   22.196   12.411   22.196   12.411   0.0000   0.0000   51.670   16.043  ?   ?       ?      ? 
1 1 1  -11    4    1 o  396.794   7.5997  1067.74   40.865  1067.74   40.865   0.0000   0.0000  396.794   7.5997  ?   ?       ?      ? 
1 1 1  -11    4    2 o  521.325   6.5020  1843.83   45.933  1857.05   65.188  1830.79   64.733  523.181   9.1947  519.469   9.1957 3.711548 13.00394 
1 1 1  -11    4    3 o  419.504   7.8981  1193.56   44.899   0.0000   0.0000  1193.56   44.899  ?   ?   419.504   7.8981      ?      ? 
1 1 1  -11    4    4 o  373.878   6.3680  970.268   30.893  1033.61   39.217  866.689   50.151  390.405   7.4128  357.350   10.356 33.05551 12.73591 
1 1 1  -11    4    5 o  470.296   6.8746  1478.34   37.982  1456.31   43.725  1546.06   76.663  463.433   6.9624  477.158   11.856 -13.72516 13.74922 
1 1 1  -11    4    6 o  444.929   6.6876  1367.73   35.593  1396.70   41.752  1290.70   68.091  453.857   6.7885  436.001   11.524 17.85614 13.37513 
1 1 1  -11    4    7 o  396.224   6.4962  1049.61   32.886  1019.98   40.013  1111.29   57.727  387.814   7.6137  404.634   10.528 -16.82050 12.99230 
1 1 1  -11    4    8 o  375.017   6.3940  963.570   31.144  988.620   39.122  920.225   51.462  381.809   7.5612  368.225   10.313 13.58398 12.78805 
1 1 1  -11    4    9 o  536.457   8.0843  1942.85   55.413  1921.16   67.693  1986.91   96.474  532.120   9.3875  540.794   13.164 -8.674255 16.16856 
1 1 1  -11    4   10 o  414.823   5.5564  1166.99   31.234  1176.04   44.370  1158.10   43.976  416.417   7.8629  413.229   7.8530 3.188232 11.11284 
1 1 1  -11    4   11 o  232.434   4.2268  366.199   13.311  356.269   18.708  376.382   18.944  229.242   6.0220  235.626   5.9329 -6.383789 8.453615 
1 1 1  -11    4   12 o  192.490   4.0305  251.165   10.513  252.680   14.943  249.679   14.794  193.064   5.7114  191.915   5.6886 1.149323 8.061056 
1 1 1  -11    4   13 o  419.123   5.6040  1190.47   31.817  1152.02   44.330  1231.32   45.693  412.148   7.9371  426.098   7.9133 -13.95062 11.20794 
1 1 1  -11    4   14 o  444.603   7.1791  1323.03   40.332  1291.90   48.618  1391.74   72.229  436.442   8.2203  452.764   11.772 -16.32138 14.35821 
1 1 1  -11    4   15 o  448.954   7.2436  1353.81   41.175  1329.50   49.785  1406.45   73.248  442.751   8.2977  455.156   11.876 -12.40491 14.48726 
1 1 1  -11    4   16 o  711.766   11.916  3445.56  114.932  3424.46  161.864  3467.02  163.222  709.571   16.833  713.961   16.870 -4.390564 23.83209 
1 1 1  -11    4   17 o  338.518   6.1753  773.073   26.474  765.687   32.080  788.845   46.876  336.055   7.0444  340.982   10.145 -4.926941 12.35051 
1 1 1  -11    4   18 o  676.928   9.7950  3073.39   84.142  3004.20  101.848  3222.13  149.333  665.345   11.296  688.511   16.005 -23.16626 19.58997 
1 1 1  -11    4   19 o  1009.00   13.977  6946.22  180.676  6980.49  222.227  6879.39  310.316  1013.44   16.181  1004.56   22.795 8.881531 27.95462 
1 1 1  -11    4   20 o  925.406   12.899  5816.51  152.523  5801.62  186.739  5846.35  264.353  924.194   14.910  926.618   21.052 -2.423767 25.79771 
1 1 1  -11    4   21 o  898.248   10.267  5478.98  124.976  5492.91  177.049  5465.16  176.438  899.385   14.527  897.112   14.513 2.273132 20.53428 
1 1 1  -11    4   22 o  769.061   8.9567  4013.23   93.337  3961.22  130.956  4066.94  133.066  763.998   12.649  774.123   12.685 -10.12512 17.91344 
1 1 1  -11    4   23 o  288.977   4.6804  565.505   18.317  539.414   25.497  593.333   26.333  282.094   6.6698  295.859   6.5679 -13.76508 9.360747 
1 1 1  -11    4   24 o  415.334   5.6390  1169.43   31.737  1160.02   44.704  1179.00   45.065  413.649   7.9750  417.018   7.9744 -3.369568 11.27793 
1 1 1  -11    4   25 o  788.016   11.281  4259.06  114.324  4080.76  193.180  4355.17  141.826  774.906   18.396  801.126   13.064 -26.21918 22.56298 
1 1 1  -11    4   26 o  597.750   8.9664  2421.95   68.302  2431.30  119.002  2417.36   83.409  598.470   14.673  597.030   10.309 1.440002 17.93290 
1 1 1  -11    4   27 o  371.857   5.3037  936.979   26.721  912.905   37.370  962.164   38.222  366.972   7.5146  376.743   7.4866 -9.771179 10.60748 
1 1 1  -11    4   28 o  585.929   8.7882  2343.93   66.157  2282.37  112.505  2376.47   81.793  579.887   14.317  591.970   10.196 -12.08350 17.57643 
1 1 1  -11    4   29 o  422.959   6.9982  1221.73   38.040  1185.68   64.596  1240.87   47.068  418.092   11.401  427.826   8.1184 -9.734009 13.99633 
1 1 1  -11    4   30 o  469.880   7.4813  1499.43   45.065  1491.08   77.405  1503.72   55.428  468.816   12.184  470.943   8.6851 -2.127106 14.96254 
1 1 1  -11    4   31 o  308.273   6.0757  639.329   23.629  630.858   28.510  657.915   42.229  305.071   6.8963  311.474   10.005 -6.403473 12.15131 
1 1 1  -11    4   32 o  479.872   7.7047  1566.27   47.124  1574.84   57.661  1549.02   81.773  481.940   8.8289  477.803   12.629 4.137299 15.40940 
1 1 1  -11    4   33 o  711.132   8.4250  3429.90   81.177  3372.10  113.571  3490.28  116.074  705.010   11.887  717.254   11.942 -12.24377 16.85010 
1 1 1  -11    4   34 o  1064.71   12.027  7701.53  173.517  7765.52  246.584  7638.77  244.212  1069.09   17.020  1060.33   16.996 8.756226 24.05306 
1 1 1  -11    4   35 o  638.964   7.7214  2769.63   66.858  2767.51   94.469  2771.75   94.634  638.720   10.914  639.209   10.925 -0.4890747 15.44274 
1 1 1  -11    4   36 o  556.440   6.9559  2099.91   52.449  2081.29   73.782  2118.93   74.574  553.947   9.8287  558.933   9.8457 -4.985291 13.91190 
1 1 1  -11    4   37 o  1226.26   13.729 10231.41  228.140 10284.44  323.702 10179.07  321.586  1229.42   19.430  1223.11   19.402 6.307007 27.45818 
1 1 1  -11    4   38 o  425.106   8.2383  1225.45   47.459  1225.45   47.459   0.0000   0.0000  425.106   8.2383  ?   ?       ?      ? 
1 1 1  -11    4   39 o  702.060   8.3500  3345.33   79.438  3318.17  111.770  3373.05  112.924  699.182   11.796  704.938   11.821 -5.756531 16.70005 
1 1 1  -11    4   40 o  417.408   5.7600  1181.43   32.579  1197.93   46.369  1165.34   45.784  420.286   8.1415  414.530   8.1503 5.755981 11.52000 
1 1 1  -11    4   41 f  358.623   5.3083  872.104   25.797  868.549   36.412  875.686   36.555  357.890   7.5078  359.357   7.5064 -1.467438 10.61665 
1 1 1  -11    4   42 o  259.356   5.7706  446.665   19.117  484.515   33.753  428.788   23.196  267.236   9.3203  251.475   6.8068 15.76137 11.54126 
1 1 1  -11    4   43 o  216.002   6.3589  315.680   18.583  331.573   27.250  301.863   25.407  221.067   9.0961  210.937   8.8883 10.12997 12.71772 
1 1 1  -11    4   44 o  311.848   5.0415  658.338   21.281  703.483   30.773  616.961   29.461  322.078   7.0506  301.616   7.2080 20.46191 10.08298 
1 1 1  -11    4   45 o  499.695   6.4794  1694.45   43.874  1712.48   62.317  1676.73   61.781  502.331   9.1545  497.059   9.1721 5.272156 12.95888 
1 1 1  -11    4   46 o  404.224   5.6961  1108.62   31.202  1108.32   44.056  1108.92   44.196  404.171   8.0438  404.277   8.0672 -0.1060486 11.39222 
1 1 1  -11    4   47 o  241.455   4.6887  395.287   15.338  383.530   21.489  407.497   21.899  237.795   6.6686  245.115   6.5930 -7.320084 9.377485 
1 1 1  -11    4   48 o  508.137   8.1233  1749.85   52.374  1739.94   63.643  1770.64   92.188  506.205   9.2777  510.069   13.337 -3.864502 16.24670 
1 1 1  -11    4   49 o  394.389   6.9080  1052.63   34.881  1068.87   60.374  1044.49   42.735  396.499   11.236  392.279   8.0391 4.220123 13.81603 
1 1 1  -11    4   50 f  158.446   5.6565  171.522   11.520  166.924   19.568  173.960   14.251  156.762   9.2115  160.130   6.5675 -3.368179 11.31300 
1 1 1  -11    4   51 o  281.844   4.8809  538.926   18.639  526.847   26.149  551.402   26.576  278.633   6.9254  285.055   6.8799 -6.422150 9.761861 
1 1 1  -11    4   52 o  579.898   7.2366  2285.62   56.853  2342.87   81.518  2231.39   79.333  586.963   10.248  572.834   10.220 14.12946 14.47323 
1 1 1  -11    4   53 o  544.168   6.9330  2013.56   51.125  2007.35   72.185  2019.82   72.419  543.326   9.8041  545.011   9.8054 -1.685669 13.86600 
1 1 1  -11    4   54 o  211.665   4.6645  304.081   13.379  306.890   18.974  301.303   18.868  212.638   6.5847  210.693   6.6085 1.945633 9.329043 
1 1 1  -11    4   55 f  304.630   5.0507  629.975   20.847  645.977   29.729  614.495   29.240  308.438   7.1127  300.822   7.1727 7.615356 10.10140 
1 1 1  -11    4   56 o  228.218   4.7254  353.610   14.614  353.845   20.660  353.375   20.675  228.294   6.6781  228.141   6.6874 0.1524506 9.450819 
1 1 1  -11    4   57 o  196.486   4.6551  262.134   12.395  260.193   17.526  264.076   17.532  195.757   6.6066  197.216   6.5599 -1.458466 9.310220 
1 1 1  -11    4   58 o   68.336   9.0411   36.168   7.4787   23.152   12.809   42.901   9.2121   57.249   15.928   79.423   8.5591 -22.17425 18.08215 
1 1 1  -11    4   59 o  328.730   6.4336  742.800   27.108  712.424   46.118  758.836   33.508  323.297   10.527  334.163   7.3996 -10.86627 12.86713 
1 1 1  -11    4   60 o  137.980   5.0376  129.469   9.4122  133.467   13.204  125.338   13.421  140.157   6.9518  135.802   7.2926 4.354340 10.07520 
1 1 1  -11    4   61 o  406.942   8.1738  1130.79   45.061  1142.20   64.668  1120.02   62.824  408.905   11.670  404.979   11.447 3.926147 16.34753 
1 1 1  -11    4   62 o  333.401   6.4986  746.964   27.581  786.894   48.693  728.101   33.468  339.583   10.581  327.218   7.5476 12.36566 12.99729 
1 1 1  -11    4   63 o  391.722   7.1057  1047.97   35.364  1050.38   43.119  1043.02   61.807  392.870   8.0991  390.573   11.678 2.296661 14.21137 
1 1 1  -11    4   64 o  359.553   6.8307  875.558   31.053  864.843   37.560  898.698   55.197  356.513   7.7745  362.593   11.234 -6.080353 13.66141 
1 1 1  -11    4   65 o  175.071   4.8666  208.391   11.544  213.649   16.385  203.209   16.267  177.269   6.8206  172.873   6.9438 4.396042 9.733257 
1 1 1  -11    4   66 o  166.666   6.0922  189.901   12.908  187.491   22.490  191.085   15.764  165.709   10.015  167.623   6.9397 -1.914322 12.18441 
1 1 1  -11    4   67 f  187.063   6.1619  242.829   14.629  225.959   25.163  251.443   17.980  181.855   10.211  192.271   6.9006 -10.41563 12.32373 
1 1 1  -11    4   68 o  423.614   6.0242  1222.37   34.569  1183.81   48.132  1263.45   49.680  416.719   8.5233  430.510   8.5156 -13.79190 12.04837 
1 1 1  -11    4   69 f   65.239   8.4450   31.031   7.0946   16.078   9.9533   46.475   10.115   47.954   14.264   82.524   9.0452 -34.56990 16.89006 
1 1 1  -11    4   70 o  177.634   4.9124  214.767   11.823  209.380   16.686  220.199   16.754  175.388   7.0206  179.879   6.8730 -4.491196 9.824864 
1 1 1  -11    4   71 o   80.765   6.8653   44.628   7.5050   41.938   10.570   47.363   10.658   78.290   9.9624   83.240   9.4488 -4.950012 13.73059 
1 1 1  -11    4   72 o  330.670   5.3998  745.468   24.196  741.057   34.194  749.891   34.243  329.685   7.6537  331.654   7.6192 -1.968597 10.79956 
1 1 1  -11    4   73 o  170.911   6.0133  196.352   13.256  210.008   22.854  189.428   16.274  175.117   9.6305  166.704   7.2037 8.412048 12.02659 
1 1 1  -11    4   74 o  108.889   5.7432   81.072   8.4490   73.209   11.852   89.198   12.048  103.478   8.4521  114.299   7.7782 -10.82092 11.48641 
1 1 1  -11    4   75 o  153.436   5.1077  160.671   10.604  172.616   15.143  149.175   14.855  159.062   7.0251  147.810   7.4165 11.25232 10.21548 
1 1 1  -11    4   76 o  147.663   6.0323  142.611   11.589  126.928   14.208  173.785   20.031  136.241   7.6955  159.085   9.2917 -22.84381 12.06467 
1 1 1  -11    4   77 o  102.504   7.2155   74.249   9.4144   78.158   11.672   66.971   15.927  106.801   8.0646   98.207   11.967 8.593826 14.43105 
1 1 1  -11    4   78 o  165.487   6.3810  188.118   13.258  187.522   15.984  189.433   23.735  165.551   7.1250  165.424   10.588 0.1264038 12.76198 
1 1 1  -11    4   79 o  114.723   5.6186   90.389   8.7325   93.237   12.402   87.588   12.298  116.533   7.8531  112.912   8.0376 3.620926 11.23718 
1 1 1  -11    4   80 o  132.627   5.2746  120.755   9.4787  123.323   13.511  118.266   13.301  134.020   7.4393  131.234   7.4794 2.786224 10.54919 
1 1 1  -11    4   81 o   61.751   9.7403   28.625   7.7216   24.329   13.358   30.782   9.4630   57.081   16.400   66.421   10.513 -9.339817 19.48062 
1 1 1  -11    4   82 o  121.698   6.4910   99.765   10.136  112.677   17.845   93.615   12.316  126.916   10.376  116.480   7.8024 10.43565 12.98206 
1 1 1  -11    4   83 f  118.448   5.5101   97.047   8.8293  104.204   12.558   90.051   12.417  122.843   7.5435  114.053   8.0337 8.790184 11.02018 
1 1 1  -11    4   84 o  158.853   7.1450  174.246   15.381  174.246   15.381   0.0000   0.0000  158.853   7.1450  ?   ?       ?      ? 
1 1 1  -11    4   85 o   53.603   10.201   22.008   7.3536   20.611   12.670   22.718   9.0302   52.008   16.219   55.197   12.378 -3.189110 20.40299 
1 1 1  -11    4   86 o  104.802   6.7946   74.941   9.1735   86.243   16.057   69.464   11.177  109.913   10.780   99.691   8.2736 10.22185 13.58913 
1 1 1  -11    4   87 o   62.959   9.4369   31.457   7.5321   24.587   12.918   34.996   9.2712   55.730   16.162   70.188   9.7475 -14.45763 18.87378 
1 1 1  -11    4   88 o   78.679   7.9059   42.879   8.0224   51.573   14.098   38.716   9.7561   83.707   12.428   73.651   9.7750 10.05672 15.81172 
1 1 1  -11    4   89 o  105.612   7.9134   80.922   11.265   93.075   16.479   70.263   15.434  113.322   10.731   97.903   11.633 15.41850 15.82672 
1 1 1  -11    4   90 o   73.349   14.106   42.060   13.512   42.060   13.512   0.0000   0.0000   73.349   14.106  ?   ?       ?      ? 
1 1 1  -11    4   91 o   82.743   12.772   51.606   14.321   51.606   14.321   0.0000   0.0000   82.743   12.772  ?   ?       ?      ? 
1 1 1  -11    4   92 o   64.168   15.482   33.793   13.308   33.793   13.308   0.0000   0.0000   64.168   15.482  ?   ?       ?      ? 
1 1 1  -11    4   93 o   61.036   16.208   31.406   13.631   31.406   13.631   0.0000   0.0000   61.036   16.208  ?   ?       ?      ? 
1 1 1  -11    5    1 o  334.301   4.9002  756.635   22.183  796.295   32.020  720.031   30.761  342.714   6.8945  325.888   6.9654 16.82651 9.800493 
1 1 1  -11    5    2 o  494.452   6.2607  1657.87   41.946  1682.54   59.819  1634.01   58.835  498.069   8.8627  490.835   8.8454 7.234467 12.52146 
1 1 1  -11    5    3 o  544.898   9.5186  2014.13   70.286  2014.13   70.286   0.0000   0.0000  544.898   9.5186  ?   ?       ?      ? 
1 1 1  -11    5    4 o  427.922   5.6797  1240.11   32.914  1295.48   47.559  1189.21   45.598  437.077   8.0296  418.767   8.0351 18.30948 11.35945 
1 1 1  -11    5    5 o  260.367   6.2096  459.559   21.909   0.0000   0.0000  459.559   21.909  ?   ?   260.367   6.2096      ?      ? 
1 1 1  -11    5    6 o  255.958   5.2959  447.692   17.760  458.334   22.557  430.339   28.804  260.016   6.4018  251.900   8.4381 8.115402 10.59174 
1 1 1  -11    5    7 o  456.903   7.1891  1386.06   41.904  1330.20   50.780  1505.30   74.188  442.876   8.4611  470.930   11.625 -28.05432 14.37810 
1 1 1  -11    5    8 o  515.690   7.5199  1869.41   46.834  1955.87   55.635  1659.15   86.761  537.069   7.6443  494.311   12.952 42.75882 15.03980 
1 1 1  -11    5    9 o  513.306   7.3739  1778.78   44.683  1769.56   51.688  1806.02   88.888  510.862   7.4663  515.750   12.718 -4.888947 14.74777 
1 1 1  -11    5   10 o  369.669   5.8557  895.584   25.468  865.808   29.220  989.728   51.956  357.385   6.0333  381.953   10.038 -24.56778 11.71149 
1 1 1  -11    5   11 o  516.829   7.9774  1857.74   53.663  1999.26   68.635  1635.16   86.076  542.909   9.3290  490.749   12.943 52.16003 15.95471 
1 1 1  -11    5   12 o  680.985   9.8396  3155.93   85.934  3169.60  105.785  3129.39  147.355  683.417   11.422  678.554   16.025 4.863403 19.67917 
1 1 1  -11    5   13 o  873.474   14.147  5181.59  167.456  5181.59  167.456   0.0000   0.0000  873.474   14.147  ?   ?       ?      ? 
1 1 1  -11    5   14 o  754.057   10.744  3875.39  103.972  3902.79  128.177  3822.68  177.783  758.285   12.474  749.829   17.496 8.455505 21.48747 
1 1 1  -11    5   15 o  817.981   11.506  4445.26  118.433  4283.20  141.855  4818.13  215.168  794.325   13.178  841.636   18.866 -47.31165 23.01265 
1 1 1  -11    5   16 o  747.316   8.7364  3788.18   88.451  3704.62  123.354  3876.61  126.898  738.841   12.320  755.790   12.390 -16.94879 17.47282 
1 1 1  -11    5   17 o  416.899   5.6193  1178.39   31.746  1172.24   44.841  1184.57   44.952  415.809   7.9579  417.990   7.9359 -2.181366 11.23863 
1 1 1  -11    5   18 o  509.465   6.4432  1760.07   44.483  1758.64   62.919  1761.50   62.898  509.258   9.1172  509.672   9.1068 -0.4136047 12.88632 
1 1 1  -11    5   19 o  485.741   6.2429  1599.80   41.093  1609.29   58.297  1590.42   57.934  487.172   8.8304  484.309   8.8273 2.863525 12.48585 
1 1 1  -11    5   20 o  436.021   5.8143  1288.94   34.354  1289.12   48.662  1288.76   48.507  436.051   8.2352  435.991   8.2100 0.6018066E-01 11.62855 
1 1 1  -11    5   21 o  992.898   13.811  6642.69  173.835  6870.75  308.139  6536.23  210.537  1004.71   22.632  981.082   15.836 23.63226 27.62206 
1 1 1  -11    5   22 f  938.615   13.156  6029.81  158.493  6123.00  195.842  5852.94  269.818  949.664   15.218  927.565   21.466 22.09845 26.31270 
1 1 1  -11    5   23 o  425.500   5.7312  1227.33   33.045  1215.08   46.492  1239.83   46.978  423.356   8.1038  427.645   8.1064 -4.289642 11.46231 
1 1 1  -11    5   24 o  452.894   7.3574  1388.59   42.393  1398.19   74.162  1383.93   51.666  453.983   12.055  451.804   8.4386 2.178986 14.71486 
1 1 1  -11    5   25 f  843.672   13.761  4830.47  157.334   0.0000   0.0000  4830.47  157.334  ?   ?   843.672   13.761      ?      ? 
1 1 1  -11    5   26 o  850.991   11.976  4896.15  129.895  4984.77  227.003  4853.00  158.388  856.350   19.561  845.632   13.822 10.71783 23.95166 
1 1 1  -11    5   27 o  733.840   10.531  3633.56   98.442  3720.26  172.471  3591.66  119.889  740.065   17.197  727.614   12.159 12.45129 21.06161 
1 1 1  -11    5   28 f  633.374   7.6680  2714.87   65.741  2858.60   95.721  2586.54   90.447  649.205   10.880  617.543   10.808 31.66205 15.33607 
1 1 1  -11    5   29 f  436.142   5.8601  1289.52   34.633  1275.79   48.704  1303.57   49.258  433.794   8.2852  438.491   8.2896 -4.696991 11.72015 
1 1 1  -11    5   30 o  902.176   12.705  5551.00  146.645  5592.95  180.231  5468.83  252.248  907.671   14.653  896.681   20.759 10.99072 25.40944 
1 1 1  -11    5   31 o  1049.62   14.598  7566.47  197.097  7732.05  244.565  7259.67  332.913  1066.84   16.917  1032.41   23.796 34.43225 29.19599 
1 1 1  -11    5   32 o  235.518   4.5317  376.004   14.463  377.852   20.378  374.128   20.530  236.102   6.3690  234.934   6.4484 1.167542 9.063458 
1 1 1  -11    5   33 o  303.835   4.8989  625.354   20.163  603.091   28.112  648.938   28.935  298.269   6.9551  309.400   6.9011 -11.13058 9.797896 
1 1 1  -11    5   34 o  570.004   7.0764  2203.24   54.654  2167.67   76.550  2240.23   78.056  565.313   9.9924  574.694   10.023 -9.381470 14.15289 
1 1 1  -11    5   35 o  318.576   5.0124  687.935   21.637  699.739   30.830  676.477   30.375  321.269   7.0815  315.884   7.0958 5.385468 10.02489 
1 1 1  -11    5   36 o  756.488   8.8867  3882.88   91.077  3973.75  130.652  3796.97  127.030  765.090   12.601  747.886   12.534 17.20422 17.77344 
1 1 1  -11    5   37 o  803.881   9.3742  4382.70  102.048  4234.32  141.151  4545.19  147.708  789.653   13.191  818.109   13.323 -28.45532 18.74835 
1 1 1  -11    5   38 o  251.334   4.6681  428.183   15.898  434.680   22.669  421.895   22.300  253.210   6.6065  249.459   6.5968 3.751480 9.336140 
1 1 1  -11    5   39 o  492.942   6.4059  1648.12   42.789  1629.49   60.113  1667.26   60.919  490.119   9.0508  495.765   9.0677 -5.645996 12.81171 
1 1 1  -11    5   40 o  411.225   5.7273  1146.64   31.912  1125.89   44.730  1168.15   45.543  407.437   8.1012  415.013   8.0979 -7.576477 11.45453 
1 1 1  -11    5   41 o  625.388   10.774  2658.79   91.285  2587.74  127.791  2732.83  130.444  616.851   15.288  633.924   15.185 -17.07288 21.54714 
1 1 1  -11    5   42 o  613.855   9.1911  2574.48   72.597  2605.76   89.870  2515.74  123.161  619.535   10.704  608.174   14.944 11.36060 18.38215 
1 1 1  -11    5   43 o  213.036   4.5987  307.683   13.275  313.512   18.930  302.043   18.620  215.021   6.4965  211.051   6.5105 3.969864 9.197364 
1 1 1  -11    5   44 o  421.136   5.8234  1203.35   33.234  1201.39   46.981  1205.31   47.018  420.793   8.2390  421.478   8.2320 -0.6856384 11.64677 
1 1 1  -11    5   45 o  520.745   6.6830  1840.83   47.158  1821.70   66.287  1860.44   67.103  518.007   9.4430  523.484   9.4593 -5.477112 13.36594 
1 1 1  -11    5   46 o  443.989   6.0274  1337.58   36.259  1313.47   50.737  1362.74   51.838  439.903   8.5111  448.076   8.5371 -8.173218 12.05489 
1 1 1  -11    5   47 o  268.740   5.9928  483.920   20.315  473.293   24.460  507.552   36.474  264.134   6.8335  273.347   9.8466 -9.213257 11.98551 
1 1 1  -11    5   48 f  332.832   6.3378  750.633   26.965  757.341   46.747  747.287   33.010  333.820   10.334  331.845   7.3405 1.974548 12.67550 
1 1 1  -11    5   49 o  302.595   6.1383  624.136   23.770  614.839   40.870  628.888   29.220  300.769   10.027  304.422   7.0830 -3.652100 12.27670 
1 1 1  -11    5   50 o   91.353   5.5973   56.678   6.9273   55.745   9.8544   57.588   9.7400   90.608   8.0257   92.098   7.8042 -1.490623 11.19451 
1 1 1  -11    5   51 o  296.331   4.9942  595.770   20.049  615.404   28.676  576.994   28.043  301.108   7.0277  291.554   7.0977 9.553436 9.988311 
1 1 1  -11    5   52 o  516.520   6.6838  1813.77   46.782  1829.38   66.431  1798.42   65.893  518.724   9.4504  514.316   9.4543 4.408752 13.36759 
1 1 1  -11    5   53 o  428.318   8.4026  1246.61   48.771  1246.61   48.771   0.0000   0.0000  428.318   8.4026  ?   ?       ?      ? 
1 1 1  -11    5   54 o  278.126   4.9320  524.894   18.583  542.779   26.648  507.964   25.926  282.736   6.9550  273.515   6.9948 9.221130 9.864099 
1 1 1  -11    5   55 o  229.812   4.7412  358.235   14.757  375.457   21.219  342.106   20.536  235.159   6.6587  224.466   6.7511 10.69359 9.482348 
1 1 1  -11    5   56 o  192.138   5.5857  251.081   13.972  251.560   17.494  250.236   23.222  192.473   6.7070  191.803   8.9341 0.6695557 11.17148 
1 1 1  -11    5   57 o  407.677   11.415  1133.69   63.061   0.0000   0.0000  1133.69   63.061  ?   ?   407.677   11.415      ?      ? 
1 1 1  -11    5   58 o  308.573   7.3151  647.045   30.589  647.045   30.589   0.0000   0.0000  308.573   7.3151  ?   ?       ?      ? 
1 1 1  -11    5   59 o  307.017   7.2542  640.606   30.181  640.606   30.181   0.0000   0.0000  307.017   7.2542  ?   ?       ?      ? 
1 1 1  -11    5   60 o  250.489   5.8000  424.270   18.788  418.286   23.238  435.565   31.924  248.102   6.9116  252.876   9.3160 -4.773895 11.59992 
1 1 1  -11    5   61 o  179.281   5.7331  223.650   13.322  237.648   16.876  200.508   21.700  187.015   6.6590  171.547   9.3344 15.46771 11.46620 
1 1 1  -11    5   62 o  182.109   6.0427  222.283   13.828  216.616   16.585  235.207   25.046  178.519   6.8556  185.699   9.9528 -7.179688 12.08545 
1 1 1  -11    5   63 o  180.747   6.1113  221.727   13.870  220.412   16.703  224.646   24.896  180.064   6.8450  181.430   10.126 -1.366943 12.22250 
1 1 1  -11    5   64 o  300.243   5.1332  612.566   20.872  583.074   29.051  644.033   30.008  292.771   7.3223  307.715   7.1961 -14.94452 10.26644 
1 1 1  -11    5   65 o  177.108   4.8832  213.469   11.709  203.302   16.586  223.569   16.532  172.884   7.0796  181.331   6.7277 -8.446609 9.766418 
1 1 1  -11    5   66 f  327.198   6.5288  711.607   26.940  781.537   48.862  681.066   32.291  338.077   10.665  316.320   7.5332 21.75668 13.05751 
1 1 1  -11    5   67 o  240.397   4.9820  393.172   16.226  394.788   23.229  391.632   22.675  240.870   7.1166  239.925   6.9740 0.9444427 9.964092 
1 1 1  -11    5   68 o  290.112   7.2785  572.938   28.615  572.938   28.615   0.0000   0.0000  290.112   7.2785  ?   ?       ?      ? 
1 1 1  -11    5   69 o  189.623   4.9245  244.755   12.652  239.605   17.888  249.911   17.898  187.618   7.0356  191.629   6.8922 -4.010269 9.848973 
1 1 1  -11    5   70 o  179.082   4.9171  218.264   11.931  224.292   17.038  212.465   16.711  181.510   6.9269  176.654   6.9807 4.856644 9.834276 
1 1 1  -11    5   71 o  168.509   5.0534  193.332   11.535  197.235   16.596  189.685   16.044  170.146   7.1980  166.871   7.0949 3.275269 10.10682 
1 1 1  -11    5   72 o  274.094   6.3408  531.508   22.315  452.091   36.445  579.135   28.223  256.688   10.477  291.501   7.1448 -34.81253 12.68165 
1 1 1  -11    5   73 o  186.588   4.9395  237.376   12.486  230.573   17.633  244.218   17.683  183.891   7.0757  189.284   6.8940 -5.393311 9.878903 
1 1 1  -11    5   74 o  145.451   5.1194  144.389   10.090  145.400   14.321  143.393   14.219  145.956   7.2407  144.946   7.2392 1.010574 10.23880 
1 1 1  -11    5   75 o  249.250   5.0077  424.204   16.914  427.785   23.961  420.648   23.880  250.303   7.0640  248.197   7.0998 2.106659 10.01540 
1 1 1  -11    5   76 o  116.324   7.1452   97.114   10.396  104.585   12.789   82.561   17.848  123.621   7.6339  109.026   12.080 14.59512 14.29035 
1 1 1  -11    5   77 o   34.714   10.019   3.8040   7.3639   7.0329   8.7857  -3.8214   13.502   35.906   13.419   33.523   14.882 2.383762 20.03893 
1 1 1  -11    5   78 o  166.214   5.0152  189.131   11.294  193.568   16.145  184.879   15.806  168.124   7.0864  164.304   7.0987 3.819641 10.03038 
1 1 1  -11    5   79 o   90.398   6.1565   56.492   7.4973   49.115   10.521   64.102   10.686   84.293   9.2106   96.503   8.1716 -12.20958 12.31304 
1 1 1  -11    5   80 o  163.111   7.0792  182.667   15.648  182.667   15.648   0.0000   0.0000  163.111   7.0792  ?   ?       ?      ? 
1 1 1  -11    5   81 o  166.941   6.2286  196.114   13.115  184.738   22.849  201.704   16.017  162.549   10.373  171.332   6.8985 -8.782974 12.45726 
1 1 1  -11    5   82 o  106.605   5.7283   78.717   8.2671   77.561   11.906   79.794   11.488  105.791   8.3047  107.420   7.8920 -1.628365 11.45655 
1 1 1  -11    5   83 o  114.936   5.4576   91.480   8.4973   91.055   12.166   91.885   11.873  114.638   7.8313  115.233   7.6036 -0.5940323 10.91528 
1 1 1  -11    5   84 o  148.379   6.0843  148.182   11.588  170.985   20.465  137.420   14.059  155.897   9.6869  140.861   7.3649 15.03586 12.16869 
1 1 1  -11    5   85 o  151.979   6.3659  168.417   12.330  141.036   20.246  184.561   15.546  140.730   10.616  163.227   7.0281 -22.49756 12.73184 
1 1 1  -11    5   86 o   79.178   8.3789   46.261   8.2102   44.837   14.070   46.997   10.110   76.760   14.044   81.595   9.1431 -4.834831 16.75788 
1 1 1  -11    5   87 o   45.984   10.148   16.186   6.8468   15.096   11.738   16.747   8.4292   45.147   15.684   46.821   12.881 -1.673927 20.29543 
1 1 1  -11    5   88 o   89.618   7.3735   56.813   8.4649   61.503   14.775   54.522   10.328   91.482   11.918   87.754   8.6848 3.728188 14.74707 
1 1 1  -11    5   89 o   49.604   15.512   19.646   11.580   19.646   11.580   0.0000   0.0000   49.604   15.512  ?   ?       ?      ? 
1 1 1  -11    5   90 o   38.073   14.895   8.8393   11.154   8.8393   11.154   0.0000   0.0000   38.073   14.895  ?   ?       ?      ? 
1 1 1  -11    5   91 o   43.219   15.627   14.079   11.753   14.079   11.753   0.0000   0.0000   43.219   15.627  ?   ?       ?      ? 
1 1 1  -11    5   92 o   39.717   15.180   10.827   11.389   10.827   11.389   0.0000   0.0000   39.717   15.180  ?   ?       ?      ? 
1 1 1  -11    5   93 o   79.726   13.142   49.026   14.199   49.026   14.199   0.0000   0.0000   79.726   13.142  ?   ?       ?      ? 
1 1 1  -11    6    1 o  560.161   6.9036  2127.92   52.404  2120.31   73.831  2135.65   74.393  559.153   9.7437  561.169   9.7827 -2.015991 13.80725 
1 1 1  -11    6    2 o  590.077   7.1794  2361.53   57.409  2367.29   81.239  2355.80   81.137  590.795   10.147  589.359   10.159 1.436096 14.35877 
1 1 1  -11    6    3 o  467.554   6.0494  1480.83   38.310  1432.55   53.215  1532.79   55.197  459.649   8.5434  475.458   8.5668 -15.80869 12.09875 
1 1 1  -11    6    4 o  225.734   5.4186  352.420   15.337  326.749   26.982  364.675   18.642  219.512   9.0704  231.955   5.9308 -12.44220 10.83726 
1 1 1  -11    6    5 o  152.229   5.1672  150.861   9.6685  171.890   18.513  142.974   11.338  159.219   8.5801  145.239   5.7605 13.98026 10.33445 
1 1 1  -11    6    6 o  148.746   4.0280  150.033   8.0841  132.219   11.284  168.819   11.587  139.667   5.9619  157.824   5.4179 -18.15648 8.055941 
1 1 1  -11    6    7 o  231.788   4.7763  365.710   13.457  367.653   15.869  360.739   25.390  232.911   5.0278  230.665   8.1225 2.245361 9.552668 
1 1 1  -11    6    8 o  428.409   6.5896  1280.71   34.037  1327.16   40.275  1164.66   63.668  442.477   6.7168  414.340   11.339 28.13782 13.17928 
1 1 1  -11    6    9 o  675.439   9.1379  2937.75   70.226  2814.51   79.194  3391.30  151.927  644.252   9.0710  706.625   15.866 -62.37231 18.27585 
1 1 1  -11    6   10 o  498.915   7.4537  1782.58   45.371  1930.46   54.855  1462.31   80.728  533.626   7.5857  464.204   12.833 69.42200 14.90739 
1 1 1  -11    6   11 o  514.681   7.5198  1795.79   52.447  1795.79   52.447   0.0000   0.0000  514.681   7.5198  ?   ?       ?      ? 
1 1 1  -11    6   12 o  425.390   6.4392  1182.03   31.923  1141.46   36.446  1315.73   66.164  410.364   6.5539  440.416   11.086 -30.05164 12.87841 
1 1 1  -11    6   13 o  437.017   6.5984  1286.51   34.178  1277.52   39.601  1312.73   67.666  434.129   6.7314  439.906   11.351 -5.776245 13.19677 
1 1 1  -11    6   14 o  532.239   6.6453  1920.73   47.927  1940.11   68.188  1901.80   67.378  534.892   9.4071  529.586   9.3886 5.306213 13.29059 
1 1 1  -11    6   15 o  662.614   7.9193  2971.88   71.032  3123.21  103.397  2836.63   97.749  678.552   11.245  646.677   11.154 31.87476 15.83855 
1 1 1  -11    6   16 o  977.181   11.099  6474.78  146.858  6251.87  202.908  6720.01  212.824  959.554   15.604  994.807   15.787 -35.25311 22.19746 
1 1 1  -11    6   17 o  541.254   6.7501  1986.52   49.510  1983.58   69.970  1989.47   70.065  540.852   9.5466  541.656   9.5455 -0.8031616 13.50015 
1 1 1  -11    6   18 o  503.000   6.3935  1713.94   43.560  1771.13   62.756  1660.76   60.511  511.090   9.0609  494.911   9.0225 16.17972 12.78692 
1 1 1  -11    6   19 o  839.995   13.679  4788.42  155.709  4788.42  155.709   0.0000   0.0000  839.995   13.679  ?   ?       ?      ? 
1 1 1  -11    6   20 o  489.333   6.2905  1623.48   41.713  1615.74   58.906  1631.26   59.075  488.163   8.9046  490.503   8.8875 -2.339935 12.58096 
1 1 1  -11    6   21 o  505.932   7.8165  1726.40   50.521  1765.19   87.989  1707.31   61.707  510.064   12.730  501.800   9.0744 8.264679 15.63309 
1 1 1  -11    6   22 o  273.711   6.5254  507.798   24.204   0.0000   0.0000  507.798   24.204  ?   ?   273.711   6.5254      ?      ? 
1 1 1  -11    6   23 o  504.354   9.1079  1724.75   62.249   0.0000   0.0000  1724.75   62.249  ?   ?   504.354   9.1079      ?      ? 
1 1 1  -11    6   24 o  944.487   10.759  6056.19  137.701  6060.96  194.805  6051.41  194.670  944.859   15.214  944.114   15.216 0.7449341 21.51726 
1 1 1  -11    6   25 f  382.976   5.4329  994.103   28.193  976.925   39.562  1011.83   40.188  379.615   7.6904  386.337   7.6761 -6.722443 10.86578 
1 1 1  -11    6   26 o  373.403   6.6122  926.558   31.099  996.323   56.311  895.943   37.304  383.265   10.842  363.542   7.5721 19.72311 13.22449 
1 1 1  -11    6   27 f  551.315   9.8256  2060.85   73.367  1993.31  101.751  2134.00  105.885  541.919   13.856  560.712   13.935 -18.79352 19.65110 
1 1 1  -11    6   28 o  423.463   7.1274  1212.16   38.294  1204.81   46.520  1227.60   67.443  421.549   8.1435  425.378   11.700 -3.828949 14.25490 
1 1 1  -11    6   29 o  272.678   5.9282  510.087   20.456  521.254   24.971  487.303   35.668  277.303   6.6451  268.052   9.8193 9.251007 11.85649 
1 1 1  -11    6   30 o  580.231   7.1676  2283.47   56.357  2295.22   79.978  2271.89   79.427  581.712   10.146  578.750   10.127 2.961853 14.33519 
1 1 1  -11    6   31 o  536.567   6.7643  1952.44   49.182  1972.94   70.005  1932.45   69.110  539.347   9.5781  533.786   9.5541 5.561340 13.52851 
1 1 1  -11    6   32 o  150.533   4.5312  153.543   9.2414  157.159   13.231  150.099   12.914  152.263   6.4121  148.803   6.4041 3.459305 9.062422 
1 1 1  -11    6   33 o  577.130   7.1603  2258.65   55.989  2308.93   80.142  2210.72   78.251  583.400   10.137  570.859   10.115 12.54077 14.32060 
1 1 1  -11    6   34 o  736.245   8.6966  3679.49   86.764  3652.92  122.096  3706.59  123.318  733.562   12.282  738.929   12.315 -5.366150 17.39313 
1 1 1  -11    6   35 o  836.843   9.7145  4749.51  110.075  4944.88  159.646  4572.47  151.977  853.211   13.808  820.474   13.669 32.73694 19.42895 
1 1 1  -11    6   36 o  428.936   5.8558  1247.62   34.035  1229.33   47.805  1266.42   48.468  425.748   8.2858  432.124   8.2768 -6.375488 11.71158 
1 1 1  -11    6   37 o  244.073   4.6864  403.336   15.488  425.063   22.349  383.258   21.484  250.390   6.5866  237.756   6.6682 12.63333 9.372727 
1 1 1  -11    6   38 o  472.126   6.2473  1508.70   39.925  1594.73   58.090  1431.68   54.964  484.853   8.8412  459.399   8.8288 25.45380 12.49455 
1 1 1  -11    6   39 o  830.556   13.711  4641.81  153.211  5231.75  234.374  4201.60  202.459  875.949   19.745  785.163   19.028 90.78583 27.42106 
1 1 1  -11    6   40 o  859.482   14.103  5027.43  164.050  4775.41  225.310  5311.78  239.328  836.637   19.873  882.328   20.016 -45.69122 28.20597 
1 1 1  -11    6   41 o  479.922   6.3205  1562.93   41.106  1554.21   57.993  1571.73   58.273  478.577   8.9421  481.268   8.9351 -2.690765 12.64108 
1 1 1  -11    6   42 o  432.166   8.3767  1267.29   49.058  1267.29   49.058   0.0000   0.0000  432.166   8.3767  ?   ?       ?      ? 
1 1 1  -11    6   43 o  479.414   6.3184  1559.03   41.035  1604.86   58.936  1515.90   57.169  486.248   8.9442  472.580   8.9269 13.66739 12.63674 
1 1 1  -11    6   44 o  653.496   7.9303  2902.18   70.226  2880.29   98.846  2924.48   99.790  651.011   11.204  655.981   11.226 -4.970215 15.86052 
1 1 1  -11    6   45 o  315.568   6.3508  679.526   25.450  685.936   31.067  666.447   44.378  317.959   7.2102  313.176   10.457 4.783264 12.70156 
1 1 1  -11    6   46 o  199.230   5.9317  275.583   14.817  286.452   18.035  253.007   25.992  205.491   6.4764  192.968   9.9397 12.52309 11.86342 
1 1 1  -11    6   47 o  365.904   6.5961  901.618   30.810  933.166   53.888  886.298   37.553  370.461   10.734  361.347   7.6690 9.113556 13.19224 
1 1 1  -11    6   48 o  443.230   12.010  1337.39   72.139  1337.39   72.139   0.0000   0.0000  443.230   12.010  ?   ?       ?      ? 
1 1 1  -11    6   49 o  322.673   5.1641  706.714   22.580  717.861   32.109  695.810   31.758  325.191   7.2863  320.155   7.3200 5.036255 10.32827 
1 1 1  -11    6   50 o  380.615   7.8741  983.865   40.613  983.865   40.613   0.0000   0.0000  380.615   7.8741  ?   ?       ?      ? 
1 1 1  -11    6   51 o  478.645   8.9962  1557.33   58.352  1557.33   58.352   0.0000   0.0000  478.645   8.9962  ?   ?       ?      ? 
1 1 1  -11    6   52 o  213.920   6.5168  311.353   18.764  265.535   26.093  360.430   27.005  197.566   9.7460  230.274   8.6539 -32.70857 13.03358 
1 1 1  -11    6   53 f   90.765   7.0064   56.783   8.0720   53.979   13.967   58.189   9.8910   88.988   11.582   92.542   7.8872 -3.553688 14.01275 
1 1 1  -11    6   54 o  203.510   4.7224  281.212   13.018  270.542   18.317  292.103   18.505  199.603   6.7718  207.417   6.5837 -7.813980 9.444715 
1 1 1  -11    6   55 o  350.612   5.4090  834.466   25.685  867.084   37.044  804.263   35.646  357.203   7.6528  344.021   7.6461 13.18213 10.81798 
1 1 1  -11    6   56 o  312.288   6.3105  664.337   25.169  661.342   43.556  665.839   30.839  311.537   10.317  313.039   7.2698 -1.501617 12.62101 
1 1 1  -11    6   57 o  229.111   4.7797  356.589   14.839  354.976   21.024  358.190   20.948  228.593   6.7869  229.630   6.7319 -1.037323 9.559334 
1 1 1  -11    6   58 o  277.235   4.9694  522.063   18.660  499.542   26.116  545.551   26.672  271.120   7.1084  283.349   6.9462 -12.22955 9.938764 
1 1 1  -11    6   59 o  181.965   5.6810  227.506   13.457  233.754   16.964  216.898   22.104  185.476   6.7492  178.453   9.1402 7.022980 11.36201 
1 1 1  -11    6   60 o  113.431   6.3647   91.209   9.3215  102.908   12.022   73.575   14.760  123.030   7.2108  103.832   10.490 19.19743 12.72949 
1 1 1  -11    6   61 o   57.339   10.468   22.882   7.6699   22.268   9.1216   24.365   14.171   55.961   12.358   58.716   16.898 -2.754875 20.93511 
1 1 1  -11    6   62 o  241.181   4.8784  395.382   15.940  382.699   22.369  408.466   22.720  237.246   6.9579  245.117   6.8398 -7.871078 9.756802 
1 1 1  -11    6   63 o  295.770   5.1177  593.487   20.483  637.772   29.802  553.841   28.198  306.208   7.1820  285.332   7.2927 20.87634 10.23546 
1 1 1  -11    6   64 o  218.454   4.8500  324.425   14.355  332.524   20.518  316.660   20.091  221.125   6.8473  215.783   6.8705 5.341934 9.699973 
1 1 1  -11    6   65 o  199.554   6.0894  274.485   15.410  262.694   26.755  280.338   18.851  196.090   10.068  203.017   6.8521 -6.926788 12.17890 
1 1 1  -11    6   66 o  287.596   6.2391  553.553   22.743  593.977   40.653  535.138   27.438  294.781   10.177  280.410   7.2207 14.37103 12.47819 
1 1 1  -11    6   67 o  156.695   5.0343  166.913   10.673  180.566   15.368  154.191   14.834  162.893   6.9620  150.497   7.2737 12.39598 10.06859 
1 1 1  -11    6   68 o   46.123   9.6434   14.840   6.5193   11.961   9.2631   17.666   9.1768   42.459   13.935   49.788   13.334 -7.329773 19.28672 
1 1 1  -11    6   69 o   67.521   8.1178   32.762   7.0143   22.062   9.9674   43.259   9.8726   55.475   13.408   79.568   9.1562 -24.09240 16.23567 
1 1 1  -11    6   70 o  174.919   5.9862  210.536   13.397  203.918   22.927  213.967   16.509  172.586   9.8029  177.252   6.8732 -4.665726 11.97239 
1 1 1  -11    6   71 o  224.526   5.8345  312.996   16.517  433.386   31.074  265.587   19.500  251.684   9.1110  197.368   7.2908 54.31616 11.66901 
1 1 1  -11    6   72 o  101.174   5.9040   69.909   8.0581   79.282   11.628   61.249   11.177  107.733   7.9651   94.616   8.7171 13.11736 11.80802 
1 1 1  -11    6   73 f  120.356   5.5189   99.090   8.9924   94.841   12.789  103.243   12.646  117.775   8.0132  122.938   7.5910 -5.163055 11.03787 
1 1 1  -11    6   74 o  202.596   4.9531  280.236   13.598  283.665   19.311  276.864   19.151  203.828   6.9912  201.364   7.0181 2.464096 9.906102 
1 1 1  -11    6   75 o  244.248   7.0762  407.747   23.422  407.747   23.422   0.0000   0.0000  244.248   7.0762  ?   ?       ?      ? 
1 1 1  -11    6   76 o   98.467   8.6402   66.646   11.529   66.646   11.529   0.0000   0.0000   98.467   8.6402  ?   ?       ?      ? 
1 1 1  -11    6   77 o  136.894   5.2312  128.660   9.6801  118.076   13.671  139.301   13.708  131.175   7.6909  142.613   7.0931 -11.43761 10.46245 
1 1 1  -11    6   78 o   97.147   5.9050   64.968   7.7660   69.137   11.136   61.021   10.836  100.207   8.2006   94.087   8.4986 6.120369 11.80999 
1 1 1  -11    6   79 o  123.722   5.3055  105.250   8.8939  107.701   12.690  102.885   12.469  125.142   7.4829  122.302   7.5232 2.839684 10.61098 
1 1 1  -11    6   80 o   64.879   7.8027   29.928   6.6593   35.111   9.6626   25.239   9.1905   70.924   10.053   58.834   11.935 12.09015 15.60533 
1 1 1  -11    6   81 o  104.937   7.3487   81.053   9.5831   66.634   16.404   88.524   11.807   96.682   12.520  113.193   7.6976 -16.51129 14.69737 
1 1 1  -11    6   82 o   62.799   7.9391   28.568   6.5540   32.893   9.2373   24.183   9.3005   68.433   9.9609   57.166   12.365 11.26641 15.87821 
1 1 1  -11    6   83 o   35.972   9.9938   6.5083   6.9230   6.0059   11.628   6.7841   8.6167   37.156   14.986   34.787   13.226 2.368820 19.98750 
1 1 1  -11    6   84 o  161.465   9.9547  184.579   21.782  184.579   21.782   0.0000   0.0000  161.465   9.9547  ?   ?       ?      ? 
1 1 1  -11    6   85 o   87.488   7.7666   56.803   8.6646   48.541   14.255   61.644   10.912   81.307   12.938   93.668   8.5964 -12.36090 15.53319 
1 1 1  -11    6   86 o   67.867   9.0039   34.880   7.7255   32.944   12.848   35.976   9.6686   64.807   14.936   70.927   10.059 -6.119637 18.00778 
1 1 1  -11    6   87 o   43.481   11.251   13.310   8.9858   18.030   11.688   6.4848   14.052   48.044   15.647   38.919   16.170 9.125191 22.50119 
1 1 1  -11    6   88 o   38.872   10.932   6.2572   8.7006   0.0478   11.079   16.248   14.054   31.247   13.691   46.497   17.046 -15.24954 21.86341 
1 1 1  -11    6   89 o   64.619   15.020   33.603   12.902   33.603   12.902   0.0000   0.0000   64.619   15.020  ?   ?       ?      ? 
1 1 1  -11    6   90 o   45.762   15.618   16.554   11.622   16.554   11.622   0.0000   0.0000   45.762   15.618  ?   ?       ?      ? 
1 1 1  -11    6   91 o   53.879   15.970   24.276   12.493   24.276   12.493   0.0000   0.0000   53.879   15.970  ?   ?       ?      ? 
1 1 1  -11    6   92 o  116.498   11.005  100.837   17.374  100.837   17.374   0.0000   0.0000  116.498   11.005  ?   ?       ?      ? 
1 1 1  -11    7    1 o  412.579   7.9056  1155.13   44.172  1136.66   63.314  1172.64   61.655  409.356   11.413  415.803   10.942 -6.446625 15.81128 
1 1 1  -11    7    2 o  589.956   8.8815  2357.62   66.686  2372.41  116.552  2350.42   81.310  591.196   14.548  588.716   10.192 2.479553 17.76295 
1 1 1  -11    7    3 o  637.197   7.6759  2753.77   66.280  2765.08   93.921  2742.54   93.549  638.502   10.855  635.893   10.856 2.608521 15.35184 
1 1 1  -11    7    4 o  825.959   9.5421  4621.46  106.705  4827.75  154.967  4435.47  147.144  843.450   13.558  808.468   13.431 34.98126 19.08412 
1 1 1  -11    7    5 o  515.036   6.5113  1797.36   45.429  1751.16   63.218  1846.71   65.326  508.197   9.1797  521.875   9.2371 -13.67801 13.02268 
1 1 1  -11    7    6 o  462.485   8.5573  1450.16   53.631   0.0000   0.0000  1450.16   53.631  ?   ?   462.485   8.5573      ?      ? 
1 1 1  -11    7    7 o  836.200   9.6602  4742.62  109.432  4640.30  152.470  4851.34  157.158  826.908   13.606  845.492   13.717 -18.58386 19.32041 
1 1 1  -11    7    8 o  673.406   11.447  3076.00  104.464  3076.00  104.464   0.0000   0.0000  673.406   11.447  ?   ?       ?      ? 
1 1 1  -11    7    9 o  623.372   8.7504  2634.68   73.920  2634.68   73.920   0.0000   0.0000  623.372   8.7504  ?   ?       ?      ? 
1 1 1  -11    7   10 o  380.888   6.4973  1001.24   32.139  1050.38   40.636  919.161   52.520  393.633   7.6180  368.143   10.527 25.48941 12.99469 
1 1 1  -11    7   11 o  292.316   9.0052  579.365   35.672   0.0000   0.0000  579.365   35.672  ?   ?   292.316   9.0052      ?      ? 
1 1 1  -11    7   12 o  234.775   8.2402  373.682   26.216   0.0000   0.0000  373.682   26.216  ?   ?   234.775   8.2402      ?      ? 
1 1 1  -11    7   13 o  251.703   5.2856  428.868   17.297  427.341   21.586  431.608   28.913  251.095   6.3438  252.312   8.4562 -1.217499 10.57124 
1 1 1  -11    7   14 o  496.744   7.6889  1667.66   49.030  1655.26   60.237  1692.02   84.401  494.094   8.9965  499.395   12.472 -5.301331 15.37776 
1 1 1  -11    7   15 o  291.990   5.7238  588.244   21.752  618.101   27.594  539.237   35.352  301.975   6.7431  282.005   9.2508 19.96918 11.44759 
1 1 1  -11    7   16 o  403.498   10.835  1104.24   59.245   0.0000   0.0000  1104.24   59.245  ?   ?   403.498   10.835      ?      ? 
1 1 1  -11    7   17 o  861.675   9.9359  5035.94  115.978  5163.15  166.778  4916.83  161.389  872.199   14.110  851.152   13.992 21.04724 19.87173 
1 1 1  -11    7   18 o  588.175   10.213  2346.13   81.405  2346.13   81.405   0.0000   0.0000  588.175   10.213  ?   ?       ?      ? 
1 1 1  -11    7   19 o  458.056   8.5366  1422.53   52.989  1422.53   52.989   0.0000   0.0000  458.056   8.5366  ?   ?       ?      ? 
1 1 1  -11    7   20 o  560.023   8.5643  2132.04   61.131  2115.04  106.158  2140.48   74.773  558.226   14.033  561.820   9.8212 -3.593872 17.12860 
1 1 1  -11    7   21 o  213.485   5.4533  298.276   14.514  336.112   27.048  282.976   17.200  222.644   8.9647  204.326   6.2118 18.31779 10.90652 
1 1 1  -11    7   22 o  531.859   9.4784  1918.22   68.315  1918.22   68.315   0.0000   0.0000  531.859   9.4784  ?   ?       ?      ? 
1 1 1  -11    7   23 o  683.005   8.1434  3163.87   75.362  3111.36  105.540  3218.50  107.648  677.226   11.500  688.784   11.533 -11.55872 16.28682 
1 1 1  -11    7   24 o  745.303   12.382  3769.23  125.059  3769.23  125.059   0.0000   0.0000  745.303   12.382  ?   ?       ?      ? 
1 1 1  -11    7   25 o  619.088   7.5195  2599.69   63.084  2578.22   88.853  2621.50   89.578  616.511   10.635  621.665   10.633 -5.153931 15.03910 
1 1 1  -11    7   26 o  452.127   6.0240  1382.08   36.855  1471.89   53.842  1302.90   50.554  465.907   8.5278  438.348   8.5105 27.55978 12.04791 
1 1 1  -11    7   27 f  698.579   10.235  3328.85   91.430  3359.50  112.358  3268.76  157.305  703.623   11.784  693.535   16.737 10.08856 20.46947 
1 1 1  -11    7   28 o  596.023   10.353  2409.88   83.617  2409.88   83.617   0.0000   0.0000  596.023   10.353  ?   ?       ?      ? 
1 1 1  -11    7   29 o  360.050   5.2988  877.825   25.837  838.593   35.846  920.245   37.273  351.687   7.5214  368.413   7.4658 -16.72562 10.59761 
1 1 1  -11    7   30 o  278.076   4.8013  523.842   18.086  541.769   25.978  506.980   25.194  282.689   6.7814  273.462   6.7987 9.227448 9.602588 
1 1 1  -11    7   31 o  466.925   7.5811  1451.60   44.629  1554.69   80.588  1406.00   53.599  478.540   12.427  455.311   8.6869 23.22964 15.16226 
1 1 1  -11    7   32 o  929.464   15.142  5888.72  190.708  5827.05  267.628  5952.33  271.826  924.536   21.361  934.393   21.467 -9.857422 30.28444 
1 1 1  -11    7   33 o  617.969   9.3192  2599.79   73.469  2611.79   89.966  2575.77  127.296  620.367   10.702  615.571   15.260 4.795715 18.63839 
1 1 1  -11    7   34 o  252.051   4.7070  430.533   16.074  442.061   23.009  419.544   22.464  255.345   6.6494  248.756   6.6640 6.588486 9.414013 
1 1 1  -11    7   35 o  161.442   4.5810  176.848   10.013  168.387   14.190  185.237   14.130  157.591   6.6445  165.294   6.3082 -7.702393 9.162037 
1 1 1  -11    7   36 o  232.456   5.5072  368.353   16.644  373.235   20.860  359.802   27.609  234.619   6.5611  230.293   8.8469 4.326050 11.01434 
1 1 1  -11    7   37 o  518.737   8.1144  1851.47   54.439  1912.31   68.168  1744.37   90.453  530.842   9.4761  506.632   13.175 24.21045 16.22882 
1 1 1  -11    7   38 o  261.698   6.7261  454.269   23.581  550.882   36.655  386.053   30.800  284.899   9.4942  238.497   9.5300 46.40225 13.45210 
1 1 1  -11    7   39 o  132.287   4.8329  118.391   8.6530  125.230   12.614  112.312   11.892  135.886   6.8501  128.687   6.8194 7.199066 9.665817 
1 1 1  -11    7   40 o  295.702   4.9493  593.013   19.831  598.619   28.269  587.581   27.827  297.077   7.0220  294.327   6.9768 2.749603 9.898671 
1 1 1  -11    7   41 o  494.364   9.1519  1659.17   61.311  1659.17   61.311   0.0000   0.0000  494.364   9.1519  ?   ?       ?      ? 
1 1 1  -11    7   42 o  466.348   6.2354  1475.06   39.387  1527.83   56.726  1425.94   54.730  474.393   8.8239  458.303   8.8123 16.09015 12.47072 
1 1 1  -11    7   43 o  475.564   6.3154  1534.45   40.683  1484.15   56.624  1588.12   58.491  467.514   8.9376  483.614   8.9250 -16.10004 12.63079 
1 1 1  -11    7   44 o  316.966   6.3891  682.933   25.681  684.017   31.246  680.677   45.086  317.486   7.2625  316.445   10.514 1.041046 12.77822 
1 1 1  -11    7   45 o  217.493   5.7159  325.602   15.916  307.311   27.029  335.311   19.693  212.676   9.3784  222.310   6.5368 -9.634064 11.43172 
1 1 1  -11    7   46 o  412.998   7.0656  1157.18   37.335  1166.79   64.594  1152.36   45.751  414.058   11.512  411.938   8.1957 2.120514 14.13129 
1 1 1  -11    7   47 o  280.407   5.8879  532.396   21.401  528.365   26.585  539.818   36.073  279.003   7.0314  281.811   9.4460 -2.808075 11.77572 
1 1 1  -11    7   48 o  222.313   6.4565  335.955   19.436  335.391   28.024  336.478   26.980  222.119   9.3102  222.507   8.9479 -0.3873901 12.91301 
1 1 1  -11    7   49 o  225.026   4.7306  343.782   14.422  335.918   20.424  351.603   20.368  222.454   6.7750  227.598   6.6039 -5.144577 9.461111 
1 1 1  -11    7   50 o  356.184   7.6675  861.763   37.009  861.763   37.009   0.0000   0.0000  356.184   7.6675  ?   ?       ?      ? 
1 1 1  -11    7   51 o  433.488   5.9925  1277.37   35.201  1268.19   49.806  1286.53   49.758  431.926   8.5092  435.050   8.4401 -3.124084 11.98502 
1 1 1  -11    7   52 o  401.097   5.7672  1093.32   31.344  1071.28   44.027  1115.97   44.633  396.995   8.1837  405.199   8.1284 -8.203766 11.53448 
1 1 1  -11    7   53 o  476.298   6.3695  1543.30   41.110  1553.40   58.443  1533.41   57.839  477.836   9.0255  474.759   8.9901 3.076721 12.73898 
1 1 1  -11    7   54 o  223.054   5.8126  330.982   16.443  358.987   29.436  318.279   19.824  229.635   9.4592  216.473   6.7577 13.16156 11.62510 
1 1 1  -11    7   55 o  276.331   4.9902  518.050   18.671  537.871   27.089  500.114   25.770  281.353   7.1049  271.309   7.0091 10.04465 9.980350 
1 1 1  -11    7   56 o  216.471   4.7592  318.452   13.944  298.624   19.617  338.701   19.824  209.643   6.9052  223.298   6.5512 -13.65590 9.518454 
1 1 1  -11    7   57 o  116.571   5.2662   92.202   8.3104   97.622   12.058   87.298   11.470  119.829   7.4256  113.313   7.4694 6.515633 10.53237 
1 1 1  -11    7   58 o  349.653   6.5331  837.420   29.535  848.241   36.774  817.757   49.572  353.148   7.6843  346.158   10.568 6.989410 13.06613 
1 1 1  -11    7   59 f  284.778   5.1165  551.162   19.740  539.831   27.512  563.184   28.338  281.767   7.2053  287.789   7.2662 -6.021393 10.23304 
1 1 1  -11    7   60 o  337.705   6.7054  785.033   28.826  799.842   35.366  755.719   49.756  342.876   7.6114  332.535   11.042 10.34094 13.41080 
1 1 1  -11    7   61 o  227.197   4.8587  350.987   14.952  336.705   21.048  365.535   21.243  222.519   6.9801  231.875   6.7606 -9.356415 9.717357 
1 1 1  -11    7   62 o  224.075   4.8755  339.659   14.758  378.944   21.711  305.910   20.123  236.070   6.7865  212.080   7.0018 23.98946 9.751011 
1 1 1  -11    7   63 o  118.369   5.5018   95.505   8.8113   93.161   12.730   97.661   12.209  116.954   8.0318  119.784   7.5214 -2.829033 11.00367 
1 1 1  -11    7   64 o  116.391   7.1170   95.891   10.192   84.346   18.234  101.138   12.292  110.890   12.134  121.892   7.4415 -11.00240 14.23398 
1 1 1  -11    7   65 o  121.539   6.5225   94.654   10.071  118.743   18.440   84.415   12.022  131.768   10.327  111.309   7.9702 20.45883 13.04501 
1 1 1  -11    7   66 o  163.396   4.9755  181.859   10.955  157.547   15.276  207.607   15.720  152.102   7.4111  174.689   6.6406 -22.58719 9.950967 
1 1 1  -11    7   67 o  195.678   4.8984  260.224   12.977  276.181   18.757  245.576   17.972  201.430   6.8717  189.927   6.9827 11.50287 9.796869 
1 1 1  -11    7   68 o  191.420   4.9678  248.849   12.866  268.343   18.731  231.434   17.704  198.507   6.9630  184.333   7.0874 14.17329 9.935521 
1 1 1  -11    7   69 o  169.039   6.0350  189.758   13.105  212.115   22.997  179.007   15.947  176.017   9.6413  162.061   7.2615 13.95641 12.06996 
1 1 1  -11    7   70 o  189.882   4.9914  245.780   12.843  246.267   18.236  245.301   18.091  190.065   7.0804  189.699   7.0374 0.3661804 9.982805 
1 1 1  -11    7   71 o  224.783   4.9339  344.291   15.022  358.270   21.592  331.176   20.914  229.207   6.9515  220.359   7.0037 8.847870 9.867898 
1 1 1  -11    7   72 o   47.929   9.4006   16.414   6.5010   11.277   9.2987   21.325   9.0924   41.441   13.971   54.417   12.581 -12.97652 18.80124 
1 1 1  -11    7   73 o  175.871   4.9644  211.279   11.827  203.626   16.665  219.044   16.787  172.641   7.1234  179.101   6.9165 -6.459366 9.928779 
1 1 1  -11    7   74 o  182.096   6.3969  225.247   14.420  221.291   17.135  234.850   26.696  179.917   7.0281  184.276   10.690 -4.359604 12.79371 
1 1 1  -11    7   75 o  152.538   6.3355  169.234   12.294  197.157   15.834  126.861   19.506  169.774   6.8826  135.301   10.639 34.47295 12.67096 
1 1 1  -11    7   76 o  104.802   5.7321   75.508   8.1387   77.795   11.562   73.262   11.458  106.391   8.0197  103.213   8.1922 3.178040 11.46418 
1 1 1  -11    7   77 o  149.399   5.0909  153.342   10.278  139.555   14.460  167.423   14.613  142.527   7.4866  156.272   6.9006 -13.74478 10.18171 
1 1 1  -11    7   78 o   59.382   8.3268   26.073   6.5414   15.068   9.2476   37.093   9.2542   45.651   13.788   73.114   9.3402 -27.46381 16.65350 
1 1 1  -11    7   79 o   56.029   8.8210   23.104   6.5592   27.895   9.3857   18.531   9.1703   61.999   11.597   50.058   13.294 11.94125 17.64207 
1 1 1  -11    7   80 o  116.100   6.8088   91.494   10.084  102.396   17.925   86.447   12.197  120.478   10.979  111.722   8.0560 8.755722 13.61764 
1 1 1  -11    7   81 o  114.211   5.5799   90.283   8.6209   98.121   12.473   83.115   11.929  118.998   7.7348  109.423   8.0446 9.575577 11.15988 
1 1 1  -11    7   82 o   47.943   10.030   18.140   7.2698   9.4892   12.552   22.507   8.9177   40.929   15.860   54.956   12.283 -14.02789 20.05993 
1 1 1  -11    7   83 o  100.790   7.1082   72.762   9.1756   69.644   15.546   74.429   11.367   98.336   11.666  103.244   8.1242 -4.908730 14.21637 
1 1 1  -11    7   84 o  122.192   6.5422  105.968   10.305  104.177   17.369  106.940   12.801  120.576   10.630  123.809   7.6296 -3.232483 13.08443 
1 1 1  -11    7   85 o  104.594   7.0248   76.962   9.5534   82.661   16.146   73.892   11.850  106.816   11.155  102.371   8.5421 4.444756 14.04967 
1 1 1  -11    7   86 o   62.211   11.235   32.327   9.7111   38.642   12.737   23.561   15.007   70.699   13.790   53.722   17.742 16.97638 22.47061 
1 1 1  -11    7   87 o   96.874   9.0023   68.500   11.671   57.475   15.224   84.218   18.178   87.581   12.827  106.167   12.635 -18.58674 18.00462 
1 1 1  -11    7   88 o   41.688   15.571   12.294   11.825   12.294   11.825   0.0000   0.0000   41.688   15.571  ?   ?       ?      ? 
1 1 1  -11    7   89 o   50.217   15.570   20.616   11.695   20.616   11.695   0.0000   0.0000   50.217   15.570  ?   ?       ?      ? 
1 1 1  -11    7   90 o   32.314   13.922   2.1906   11.060   2.1906   11.060   0.0000   0.0000   32.314   13.922  ?   ?       ?      ? 
1 1 1  -11    7   91 o   36.574   14.837   7.4105   11.469   7.4105   11.469   0.0000   0.0000   36.574   14.837  ?   ?       ?      ? 
1 1 1  -11    7   92 o   47.492   16.117   18.895   12.375   18.895   12.375   0.0000   0.0000   47.492   16.117  ?   ?       ?      ? 
1 1 1  -11    8    1 o  762.931   8.9062  3948.67   92.070  4011.20  131.255  3888.10  129.184  768.876   12.597  756.986   12.593 11.88965 17.81240 
1 1 1  -11    8    2 o  1004.17   11.373  6847.37  154.750  6797.51  217.627  6898.36  220.092  1000.48   16.052  1007.86   16.115 -7.385986 22.74518 
1 1 1  -11    8    3 o  902.951   14.642  5534.74  179.165   0.0000   0.0000  5534.74  179.165  ?   ?   902.951   14.642      ?      ? 
1 1 1  -11    8    5 o  482.930   7.7696  1592.94   47.690  1614.29   58.318  1549.82   82.858  487.941   8.8196  477.918   12.794 10.02237 15.53914 
1 1 1  -11    8    6 o  479.991   12.739  1563.27   82.858   0.0000   0.0000  1563.27   82.858  ?   ?   479.991   12.739      ?      ? 
1 1 1  -11    8    7 o  536.050   6.7448  1944.55   48.945  2047.85   71.140  1851.69   67.446  549.540   9.5529  522.559   9.5244 26.98114 13.48965 
1 1 1  -11    8    8 o  813.851   13.380  4494.94  147.560   0.0000   0.0000  4494.94  147.560  ?   ?   813.851   13.380      ?      ? 
1 1 1  -11    8    9 f  1078.05   13.996  7836.03  176.298  7772.79  202.767  8031.91  356.876  1070.14   13.982  1085.95   24.251 -15.81909 27.99280 
1 1 1  -11    8   10 o  776.508   10.416  4104.26   95.605  4115.77  110.893  4070.94  188.696  778.999   10.505  774.016   17.990 4.983093 20.83233 
1 1 1  -11    8   11 o  688.042   9.4083  3249.39   77.035  3290.55   89.903  3135.65  149.430  696.599   9.5237  679.484   16.228 17.11517 18.81657 
1 1 1  -11    8   12 o  682.476   9.4519  3287.86   78.292  3466.33   93.513  2869.49  143.171  714.953   9.6519  649.999   16.254 64.95477 18.90374 
1 1 1  -11    8   13 o  620.295   8.6056  2572.92   62.584  2536.47   71.988  2685.73  126.647  611.633   8.6853  628.958   14.859 -17.32501 17.21123 
1 1 1  -11    8   14 o  661.934   9.0528  2907.24   69.744  2846.73   79.816  3102.63  143.427  647.937   9.0902  675.931   15.658 -27.99390 18.10566 
1 1 1  -11    8   15 o  678.714   9.2769  3115.88   74.226  3105.31   85.841  3147.20  147.775  676.705   9.3608  680.722   16.019 -4.016235 18.55390 
1 1 1  -11    8   16 o  600.334   8.4689  2504.41   61.140  2578.04   72.100  2315.91  115.358  616.618   8.6285  584.050   14.575 32.56830 16.93782 
1 1 1  -11    8   17 o  686.776   9.3509  3121.36   74.577  3049.40   85.215  3356.81  154.143  670.575   9.3775  702.978   16.181 -32.40295 18.70175 
1 1 1  -11    8   18 o  552.909   8.4066  2076.55   59.997  2081.84   74.341  2066.67  101.604  554.037   9.9016  551.781   13.588 2.256531 16.81318 
1 1 1  -11    8   19 o  392.842   6.8360  1024.00   33.710  1106.33   61.488  988.621   40.308  403.823   11.236  381.862   7.7894 21.96091 13.67203 
1 1 1  -11    8   20 f  391.882   5.5130  1039.90   29.259  1082.04   42.272  1001.15   40.538  399.492   7.8084  384.272   7.7847 15.21994 11.02600 
1 1 1  -11    8   21 f  630.587   10.841  2697.64   92.638  2697.64   92.638   0.0000   0.0000  630.587   10.841  ?   ?       ?      ? 
1 1 1  -11    8   22 o  468.579   6.1529  1488.18   39.059  1522.54   56.046  1455.72   54.465  473.836   8.7284  463.323   8.6746 10.51251 12.30578 
1 1 1  -11    8   23 o  707.268   11.867  3394.77  113.740  3394.77  113.740   0.0000   0.0000  707.268   11.867  ?   ?       ?      ? 
1 1 1  -11    8   24 o  649.826   11.086  2865.29   97.623  2865.29   97.623   0.0000   0.0000  649.826   11.086  ?   ?       ?      ? 
1 1 1  -11    8   25 o  687.729   10.106  3218.43   88.707  3230.00  108.642  3195.30  153.646  689.874   11.621  685.584   16.538 4.289185 20.21259 
1 1 1  -11    8   26 o  836.826   9.7074  4749.40  110.001  4938.02  159.335  4577.62  152.051  852.670   13.789  820.982   13.667 31.68793 19.41486 
1 1 1  -11    8   27 o  639.733   7.7540  2775.38   67.196  2854.98   96.637  2700.86   93.500  648.605   10.995  630.860   10.937 17.74469 15.50803 
1 1 1  -11    8   28 o  209.100   4.5518  296.523   12.893  289.375   18.315  303.547   18.154  206.599   6.5418  211.601   6.3310 -5.002457 9.103681 
1 1 1  -11    8   29 o  603.959   7.4303  2471.94   60.770  2574.25   87.931  2378.39   84.083  615.904   10.535  592.015   10.481 23.88947 14.86062 
1 1 1  -11    8   30 o  663.414   7.9801  2987.55   71.742  2979.12  101.343  2996.01  101.575  662.476   11.289  664.352   11.283 -1.875916 15.96017 
1 1 1  -11    8   31 o  381.660   5.5075  987.122   28.472  947.047   39.696  1029.58   40.859  373.686   7.8389  389.634   7.7384 -15.94757 11.01509 
1 1 1  -11    8   32 o  550.866   6.9389  2055.77   51.754  2150.21   75.083  1970.29   71.435  562.896   9.8431  538.836   9.7831 24.05981 13.87786 
1 1 1  -11    8   33 o  475.853   7.6707  1570.98   47.470  1671.60   60.411  1408.57   76.748  496.356   8.9813  455.351   12.438 41.00583 15.34148 
1 1 1  -11    8   34 o  158.967   5.3259  167.598   11.201  155.109   14.157  188.505   18.317  151.236   6.9075  166.697   8.1084 -15.46103 10.65178 
1 1 1  -11    8   35 o  352.487   5.3422  842.278   25.510  868.601   36.577  817.347   35.597  357.847   7.5428  347.127   7.5672 10.71957 10.68444 
1 1 1  -11    8   36 o  292.241   10.063  579.877   39.854  579.877   39.854   0.0000   0.0000  292.241   10.063  ?   ?       ?      ? 
1 1 1  -11    8   37 o  231.799   6.8451  364.823   21.495  376.894   30.511  352.927   30.288  235.612   9.5560  227.986   9.8033 7.626236 13.69023 
1 1 1  -11    8   38 o  480.528   7.8348  1562.81   47.823  1551.22   58.146  1587.04   84.073  478.023   8.9761  483.033   12.844 -5.009521 15.66961 
1 1 1  -11    8   39 o  415.111   5.8171  1169.12   32.716  1138.30   45.801  1201.24   46.750  409.523   8.2530  420.699   8.2003 -11.17542 11.63427 
1 1 1  -11    8   40 o  419.691   5.8573  1194.44   33.294  1144.73   46.284  1247.75   47.929  410.648   8.3172  428.734   8.2495 -18.08664 11.71453 
1 1 1  -11    8   41 o  403.709   5.7313  1105.49   31.342  1141.31   45.103  1072.05   43.584  410.026   8.1172  397.392   8.0933 12.63336 11.46257 
1 1 1  -11    8   42 o  396.823   8.1920  1057.48   43.734  957.606   57.770  1191.57   66.936  375.191   11.362  418.456   11.804 -43.26541 16.38406 
1 1 1  -11    8   43 o  132.012   6.6783  118.202   11.929  122.320   17.460  114.597   16.336  134.157   9.6038  129.866   9.2825 4.291306 13.35653 
1 1 1  -11    8   44 f  231.009   5.7185  362.318   16.903  362.704   29.191  362.122   20.732  231.015   9.3244  231.003   6.6228 0.1153564E-01 11.43700 
1 1 1  -11    8   45 o  298.877   7.1392  606.402   28.915  606.402   28.915   0.0000   0.0000  298.877   7.1392  ?   ?       ?      ? 
1 1 1  -11    8   46 o  374.889   5.5226  954.053   28.048  974.428   40.279  934.875   39.079  378.768   7.8474  371.009   7.7727 7.758453 11.04521 
1 1 1  -11    8   47 o  214.193   6.7488  311.447   19.589  311.447   19.589   0.0000   0.0000  214.193   6.7488  ?   ?       ?      ? 
1 1 1  -11    8   48 o  254.966   4.8106  440.988   16.611  451.400   24.015  431.438   23.000  257.843   6.8729  252.088   6.7328 5.755020 9.621176 
1 1 1  -11    8   49 o  182.264   4.7365  226.068   11.671  211.656   16.679  239.896   16.338  176.544   6.9718  187.985   6.4134 -11.44124 9.472983 
1 1 1  -11    8   50 o  233.265   4.7649  369.570   15.057  366.307   21.524  372.698   21.071  232.249   6.8388  234.281   6.6369 -2.032669 9.529867 
1 1 1  -11    8   51 o  312.285   5.1532  661.236   21.786  695.884   31.659  630.071   30.025  320.038   7.2997  304.531   7.2756 15.50665 10.30637 
1 1 1  -11    8   52 o  424.776   12.012  1232.04   69.142  1232.04   69.142   0.0000   0.0000  424.776   12.012  ?   ?       ?      ? 
1 1 1  -11    8   53 o  282.697   6.2137  550.059   22.269  525.994   38.688  561.982   27.232  277.794   10.277  287.599   6.9872 -9.804535 12.42746 
1 1 1  -11    8   54 o  210.570   4.7522  300.289   13.539  322.498   19.776  280.700   18.574  217.877   6.6981  203.264   6.7430 14.61258 9.504314 
1 1 1  -11    8   55 o  219.549   4.7681  327.450   14.183  331.105   20.290  323.956   19.835  220.743   6.7828  218.354   6.7031 2.388977 9.536190 
1 1 1  -11    8   56 o  180.472   5.5835  213.701   13.167  194.057   16.273  250.948   22.408  168.957   7.1076  191.987   8.6130 -23.02986 11.16695 
1 1 1  -11    8   57 o  300.256   6.2144  622.996   24.199  646.975   30.457  581.943   39.851  308.451   7.2864  292.061   10.069 16.38940 12.42877 
1 1 1  -11    8   58 o  118.557   6.8060   87.141   10.198   73.574   12.063  121.134   19.094  103.934   8.5648  133.180   10.580 -29.24580 13.61197 
1 1 1  -11    8   59 o  232.368   4.8741  366.790   15.340  382.141   22.068  352.434   21.340  237.071   6.8690  227.665   6.9169 9.406631 9.748208 
1 1 1  -11    8   60 o  184.005   4.8782  230.346   12.159  224.197   17.275  236.383   17.116  181.558   7.0212  186.451   6.7743 -4.892960 9.756429 
1 1 1  -11    8   61 o  242.963   4.9861  401.384   16.402  378.120   22.938  425.722   23.462  235.745   7.1802  250.181   6.9204 -14.43579 9.972288 
1 1 1  -11    8   62 o  211.636   4.9875  303.987   14.285  326.094   20.761  284.111   19.685  218.932   6.9976  204.340   7.1089 14.59175 9.975100 
1 1 1  -11    8   63 o  216.467   6.0583  318.355   16.588  322.781   29.376  316.283   20.099  217.324   9.9747  215.611   6.8789 1.713089 12.11665 
1 1 1  -11    8   64 o   78.251   8.3808   38.429   8.3587   53.137   15.348   32.226   9.9664   87.895   12.885   68.607   10.720 19.28790 16.76151 
1 1 1  -11    8   65 o  129.601   5.3077  114.377   9.3199  117.145   13.337  111.736   13.029  131.133   7.5054  128.069   7.5072 3.063614 10.61550 
1 1 1  -11    8   66 f  192.659   4.9505  252.582   12.880  225.020   17.911  282.100   18.535  181.744   7.2723  203.574   6.7189 -21.83009 9.901023 
1 1 1  -11    8   67 o  267.735   6.2298  492.750   21.234  481.211   36.778  498.519   26.006  264.971   10.243  270.499   7.0945 -5.527557 12.45967 
1 1 1  -11    8   68 o  144.317   6.4936  145.819   11.839  133.085   20.417  152.269   14.532  139.181   10.825  149.452   7.1753 -10.27144 12.98729 
1 1 1  -11    8   69 o  141.331   5.3275  136.572   10.185  130.655   14.628  142.139   14.189  138.316   7.8043  144.345   7.2541 -6.028152 10.65500 
1 1 1  -11    8   70 o  280.314   5.1421  535.863   19.522  555.823   28.157  517.385   27.091  285.332   7.2821  275.295   7.2619 10.03708 10.28420 
1 1 1  -11    8   71 o  171.859   5.0477  201.923   11.708  179.231   16.394  225.544   16.727  161.930   7.4710  181.788   6.7899 -19.85825 10.09546 
1 1 1  -11    8   72 o  100.302   7.7170   68.045   9.5930   65.862   11.374   73.424   17.855   97.968   8.5674  102.635   12.838 -4.667442 15.43397 
1 1 1  -11    8   73 o  111.395   7.5232   83.421   10.291   80.173   12.105   91.889   19.546  108.068   8.2657  114.721   12.573 -6.652954 15.04636 
1 1 1  -11    8   74 o  145.977   5.9682  143.493   11.485  134.076   14.445  159.675   18.936  139.805   7.6246  152.149   9.1840 -12.34409 11.93646 
1 1 1  -11    8   75 o   79.985   6.8573   44.528   7.3135   54.653   10.508   35.016   10.185   89.016   8.7112   70.953   10.593 18.06276 13.71464 
1 1 1  -11    8   76 o   97.536   8.5073   65.683   11.244   65.683   11.244   0.0000   0.0000   97.536   8.5073  ?   ?       ?      ? 
1 1 1  -11    8   77 o   86.479   6.4421   51.962   7.4800   61.249   10.766   43.295   10.400   94.104   8.4422   78.854   9.7329 15.24982 12.88411 
1 1 1  -11    8   78 o   69.816   7.1150   34.076   6.7226   36.572   9.6551   31.727   9.3658   72.342   9.8488   67.290   10.271 5.052193 14.23002 
1 1 1  -11    8   79 o   59.360   9.9919   24.679   7.4653   32.240   13.538   21.375   8.9490   65.037   15.568   53.683   12.530 11.35400 19.98371 
1 1 1  -11    8   80 o   54.317   12.585   22.003   9.0819   0.0000   0.0000   22.003   9.0819  ?   ?    54.317   12.585      ?      ? 
1 1 1  -11    8   81 o   67.882   9.1071   33.359   7.8286   36.212   13.373   31.871   9.6562   68.817   14.781   66.947   10.644 1.869987 18.21412 
1 1 1  -11    8   82 o   41.435   10.318   10.465   7.1010   17.872   11.861   6.3274   8.8655   48.525   15.760   34.344   13.323 14.18057 20.63689 
1 1 1  -11    8   83 o   74.543   9.1275   43.551   8.3057   35.113   13.992   48.142   10.321   66.630   15.746   82.455   9.2365 -15.82513 18.25503 
1 1 1  -11    8   84 o   49.866   9.5251   20.895   7.3998   6.1436   12.428   28.995   9.2102   37.337   15.330   62.395   11.309 -25.05795 19.05017 
1 1 1  -11    8   85 o   61.559   10.834   27.567   9.7796   11.745   12.604   51.506   15.503   41.934   15.983   81.184   14.630 -39.24971 21.66762 
1 1 1  -11    8   86 o   76.186   10.892   45.383   10.743   39.116   13.953   54.509   16.837   69.894   15.167   82.478   15.637 -12.58441 21.78390 
1 1 1  -11    8   87 o  114.510   8.6507   94.253   13.136   73.580   16.883  125.968   20.911   98.889   12.599  130.130   11.858 -31.24117 17.30145 
1 1 1  -11    8   88 o   50.038   16.043   20.618   12.319   20.618   12.319   0.0000   0.0000   50.038   16.043  ?   ?       ?      ? 
1 1 1  -11    8   89 f   39.444   15.181   10.566   11.440   10.566   11.440   0.0000   0.0000   39.444   15.181  ?   ?       ?      ? 
1 1 1  -11    8   90 o   72.593   14.155   42.360   13.425   42.360   13.425   0.0000   0.0000   72.593   14.155  ?   ?       ?      ? 
1 1 1  -11    8   91 o   36.052   14.694   7.2412   11.313   7.2412   11.313   0.0000   0.0000   36.052   14.694  ?   ?       ?      ? 
1 1 1  -11    9    1 o  400.261   11.525  1087.09   62.512   0.0000   0.0000  1087.09   62.512  ?   ?   400.261   11.525      ?      ? 
1 1 1  -11    9    2 o  246.627   5.7917  413.159   17.708  414.245   21.152  410.616   32.380  247.206   6.3140  246.048   9.7113 1.157364 11.58344 
1 1 1  -11    9    3 o  454.597   6.0076  1401.26   37.007  1422.93   52.526  1379.91   52.147  458.087   8.4615  451.107   8.5303 6.980865 12.01511 
1 1 1  -11    9    4 o  439.184   8.3741  1307.89   49.839   0.0000   0.0000  1307.89   49.839  ?   ?   439.184   8.3741      ?      ? 
1 1 1  -11    9    5 o  285.868   4.7438  553.526   18.369  537.127   25.544  571.090   26.436  281.487   6.6964  290.249   6.7211 -8.762421 9.487620 
1 1 1  -11    9    6 o  311.194   4.9009  656.177   20.658  684.692   29.547  628.909   28.894  317.806   6.8607  304.582   7.0004 13.22424 9.801808 
1 1 1  -11    9    7 o  434.670   5.8621  1280.02   34.514  1242.85   47.952  1319.98   49.717  428.129   8.2651  441.211   8.3153 -13.08234 11.72416 
1 1 1  -11    9    8 o  452.256   6.0060  1386.70   36.805  1415.42   52.412  1358.75   51.696  456.877   8.4655  447.635   8.5221 9.242004 12.01209 
1 1 1  -11    9    9 o  253.074   5.5683  437.913   18.567  450.773   23.826  418.028   29.626  257.866   6.8182  248.282   8.8054 9.584000 11.13661 
1 1 1  -11    9   10 o  375.147   6.6359  977.645   32.593  1061.42   42.160  853.211   51.382  395.659   7.8632  354.635   10.692 41.02417 13.27183 
1 1 1  -11    9   11 o  492.936   7.2447  1638.28   42.243  1627.90   48.903  1668.82   83.848  490.013   7.3646  495.859   12.478 -5.845886 14.48943 
1 1 1  -11    9   12 o  429.010   6.5558  1207.20   32.977  1168.66   37.780  1330.51   67.580  415.201   6.7146  442.820   11.262 -27.61850 13.11154 
1 1 1  -11    9   13 o  365.045   6.0195  908.137   26.372  913.380   30.867  893.963   50.751  367.076   6.2052  363.014   10.317 4.061432 12.03904 
1 1 1  -11    9   14 o  543.779   8.2804  1938.21   56.910  1826.88   68.138  2195.02  103.488  518.974   9.6886  568.585   13.431 -49.61121 16.56084 
1 1 1  -11    9   15 o  466.629   7.5348  1503.61   45.877  1584.55   58.454  1373.77   74.033  483.366   8.9239  449.892   12.143 33.47430 15.06963 
1 1 1  -11    9   16 o  346.884   6.2219  787.720   27.771  731.584   33.762  905.158   48.833  328.479   7.5848  365.288   9.8650 -36.80899 12.44377 
1 1 1  -11    9   17 o  467.155   6.9770  1457.94   38.449  1435.39   44.350  1526.17   77.143  460.125   7.1127  474.184   12.005 -14.05838 13.95394 
1 1 1  -11    9   18 o  719.322   9.7498  3471.15   82.089  3429.68   94.402  3599.75  166.237  711.037   9.7973  727.607   16.860 -16.56964 19.49965 
1 1 1  -11    9   19 o  821.489   11.070  4733.10  109.828  4926.06  130.278  4259.08  204.191  851.966   11.284  791.011   19.049 60.95575 22.14030 
1 1 1  -11    9   20 o  711.219   9.6795  3421.81   81.066  3407.66   93.685  3463.98  161.729  708.732   9.7545  713.705   16.722 -4.973267 19.35906 
1 1 1  -11    9   21 f  399.177   6.4555  1113.75   31.198  1157.62   37.042  1006.70   57.867  413.218   6.6151  385.136   11.088 28.08115 12.91098 
1 1 1  -11    9   22 f  724.214   10.558  3532.51   96.699  3476.71  116.869  3653.62  172.186  715.611   12.051  732.816   17.339 -17.20441 21.11573 
1 1 1  -11    9   23 o  788.849   11.360  4264.97  114.939  4337.83  141.993  4126.49  195.757  799.171   13.111  778.528   18.555 20.64355 22.71983 
1 1 1  -11    9   24 o  581.450   7.1964  2294.10   56.704  2300.02   80.369  2288.24   80.014  582.196   10.187  580.704   10.168 1.492065 14.39289 
1 1 1  -11    9   25 o  298.386   4.9127  603.624   19.863  608.729   28.326  598.687   27.859  299.626   6.9764  297.146   6.9186 2.479889 9.825348 
1 1 1  -11    9   26 o  631.880   7.6711  2709.72   65.679  2746.20   93.725  2674.53   92.065  636.054   10.874  627.705   10.823 8.349487 15.34215 
1 1 1  -11    9   27 o  516.239   6.6158  1807.89   46.277  1835.77   66.046  1781.00   64.862  520.147   9.3700  512.332   9.3423 7.815002 13.23161 
1 1 1  -11    9   28 o  423.436   7.1978  1257.14   39.774  1413.80   51.930  1034.82   61.863  456.520   8.3942  390.352   11.695 66.16837 14.39551 
1 1 1  -11    9   29 o  558.015   8.4766  2080.03   60.174  2016.36   72.875  2216.46  106.672  545.046   9.8665  570.984   13.786 -25.93774 16.95313 
1 1 1  -11    9   30 o  465.634   7.4410  1449.09   44.248  1405.46   53.794  1540.35   77.804  455.118   8.7222  476.150   12.058 -21.03192 14.88198 
1 1 1  -11    9   31 o  338.518   5.2180  776.179   23.920  809.161   34.623  746.065   33.084  345.387   7.3974  331.650   7.3613 13.73764 10.43602 
1 1 1  -11    9   32 o  312.559   5.0416  662.496   21.346  637.425   29.960  688.343   30.420  306.550   7.2121  318.567   7.0466 -12.01630 10.08310 
1 1 1  -11    9   33 o  249.021   4.7576  420.382   16.039  425.104   23.265  416.105   22.141  250.348   6.8577  247.694   6.5963 2.654221 9.515188 
1 1 1  -11    9   34 o  176.493   5.7193  205.841   12.630  225.747   23.248  197.506   15.043  182.340   9.4086  170.647   6.5053 11.69350 11.43857 
1 1 1  -11    9   35 o  183.379   4.6218  228.178   11.474  226.113   16.553  230.087   15.920  182.576   6.6906  184.183   6.3782 -1.607117 9.243675 
1 1 1  -11    9   36 o  236.713   4.7116  379.486   15.101  395.677   21.918  364.858   20.834  241.510   6.6971  231.916   6.6292 9.593613 9.423269 
1 1 1  -11    9   37 o  182.053   4.6493  225.150   11.454  216.014   16.400  233.851   16.005  178.436   6.7823  185.671   6.3612 -7.235535 9.298584 
1 1 1  -11    9   38 o  188.191   5.4111  237.327   13.444  227.510   17.017  253.626   21.927  183.112   6.8578  193.269   8.3721 -10.15735 10.82225 
1 1 1  -11    9   39 o  204.322   9.2130  283.635   25.509  283.635   25.509   0.0000   0.0000  204.322   9.2130  ?   ?       ?      ? 
1 1 1  -11    9   40 o  207.270   6.7128  292.363   18.827  301.752   26.212  282.358   27.059  210.732   9.1790  203.808   9.7975 6.924545 13.42551 
1 1 1  -11    9   41 o  284.117   6.2269  565.764   22.501  495.423   37.871  604.144   27.974  269.887   10.355  298.348   6.9191 -28.46100 12.45373 
1 1 1  -11    9   42 o  568.284   14.444  2205.39  111.234  2205.39  111.234   0.0000   0.0000  568.284   14.444  ?   ?       ?      ? 
1 1 1  -11    9   43 o  376.018   7.9784  962.454   40.646  983.895   58.188  942.023   56.801  380.103   11.297  371.932   11.270 8.171478 15.95674 
1 1 1  -11    9   44 f  265.881   6.9793  479.964   25.147  479.964   25.147   0.0000   0.0000  265.881   6.9793  ?   ?       ?      ? 
1 1 1  -11    9   45 o  338.144   7.5311  776.664   34.510  776.664   34.510   0.0000   0.0000  338.144   7.5311  ?   ?       ?      ? 
1 1 1  -11    9   46 o  334.581   7.5150  760.468   34.073  760.468   34.073   0.0000   0.0000  334.581   7.5150  ?   ?       ?      ? 
1 1 1  -11    9   47 o  203.242   4.6938  280.521   12.915  279.543   18.667  281.419   17.887  202.892   6.7893  203.592   6.4833 -0.6997986 9.387646 
1 1 1  -11    9   48 o  161.190   4.7352  176.804   10.320  169.347   14.895  183.689   14.312  157.899   6.9610  164.480   6.4212 -6.580673 9.470333 
1 1 1  -11    9   49 o  173.308   4.7447  204.107   11.126  201.906   16.142  206.099   15.357  172.404   6.9091  174.211   6.5049 -1.806259 9.489428 
1 1 1  -11    9   50 o  243.152   5.9694  397.408   18.271  415.056   32.891  389.532   21.973  246.839   9.8328  239.465   6.7712 7.373230 11.93874 
1 1 1  -11    9   51 o  173.061   5.8844  195.451   12.715  225.070   23.726  183.515   15.061  181.766   9.6321  164.355   6.7623 17.41130 11.76886 
1 1 1  -11    9   52 o  171.338   4.8079  198.288   11.130  217.837   16.486  181.916   15.087  179.052   6.7944  163.624   6.8043 15.42807 9.615773 
1 1 1  -11    9   53 o  138.033   5.0219  129.550   9.3717  128.931   13.712  130.092   12.838  137.708   7.3480  138.358   6.8471 -0.6498108 10.04373 
1 1 1  -11    9   54 o  181.275   5.5781  219.586   13.299  207.966   16.696  239.759   21.999  174.907   7.0440  187.644   8.6512 -12.73744 11.15625 
1 1 1  -11    9   55 o  171.028   5.9376  207.693   13.147  240.359   17.199  161.769   20.392  188.049   6.7490  154.007   9.7710 34.04155 11.87525 
1 1 1  -11    9   56 o  244.231   6.2618  412.951   19.367  425.572   23.721  387.720   33.540  250.175   6.9968  238.286   10.387 11.88911 12.52369 
1 1 1  -11    9   57 o  244.110   4.9290  404.429   16.289  424.985   23.675  385.951   22.446  249.986   6.9885  238.234   6.9528 11.75227 9.858047 
1 1 1  -11    9   58 o  135.610   5.2217  125.899   9.5349  115.586   13.903  135.057   13.101  130.295   7.8740  140.925   6.8603 -10.62981 10.44342 
1 1 1  -11    9   59 o  232.037   4.9479  365.258   15.535  385.392   22.732  347.615   21.280  238.014   7.0479  226.061   6.9465 11.95319 9.895827 
1 1 1  -11    9   60 o   87.029   6.6131   52.337   7.6913   46.703   11.471   56.938   10.367   82.658   10.241   91.400   8.3696 -8.741615 13.22611 
1 1 1  -11    9   61 o  178.822   5.9735  208.853   13.472  243.037   24.719  194.409   16.068  188.620   9.6707  169.024   7.0150 19.59602 11.94705 
1 1 1  -11    9   62 o  234.354   6.0828  377.850   18.035  365.605   31.543  383.798   21.983  231.217   10.067  237.491   6.8306 -6.273987 12.16551 
1 1 1  -11    9   63 o  107.197   5.7879   78.643   8.3668   75.034   12.283   81.768   11.428  104.854   8.6448  109.540   7.6985 -4.685616 11.57577 
1 1 1  -11    9   64 o  130.982   5.3185  116.055   9.4026  130.885   13.962  103.747   12.719  138.591   7.4341  123.373   7.6078 15.21768 10.63695 
1 1 1  -11    9   65 o  118.156   7.2777  104.764   10.319   73.859   17.881  120.197   12.636  103.482   12.751  132.829   7.0198 -29.34718 14.55533 
1 1 1  -11    9   66 o   87.516   8.6703   55.291   8.9266   49.406   16.360   57.786   10.652   83.081   15.087   91.950   8.5486 -8.868576 17.34068 
1 1 1  -11    9   67 o  134.955   5.3205  123.761   9.7076  132.818   14.333  116.086   13.195  139.488   7.5824  130.421   7.4658 9.067032 10.64103 
1 1 1  -11    9   68 o  143.410   5.2863  139.779   10.248  152.495   15.099  128.917   13.955  149.431   7.4562  137.389   7.4955 12.04243 10.57251 
1 1 1  -11    9   69 o  117.932   5.6121   95.245   8.9549   93.554   12.963   96.789   12.385  116.894   8.1833  118.971   7.6821 -2.077034 11.22411 
1 1 1  -11    9   70 o   73.937   7.3217   38.054   7.2642   32.876   10.454   42.888   10.101   68.917   11.194   78.956   9.4409 -10.03920 14.64338 
1 1 1  -11    9   71 o   79.507   8.8931   39.318   8.7959   29.909   10.436   62.394   16.344   64.502   12.390   94.512   12.761 -30.00934 17.78627 
1 1 1  -11    9   72 o  160.335   5.1233  176.292   11.115  165.510   15.741  187.014   15.697  155.384   7.4753  165.286   7.0081 -9.902008 10.24660 
1 1 1  -11    9   73 o  116.159   6.6068   95.596   10.049  104.607   13.060   82.519   15.733  123.383   7.8109  108.934   10.658 14.45000 13.21355 
1 1 1  -11    9   74 o   60.402   8.4488   27.166   6.7052   17.113   9.7216   36.288   9.2604   48.444   14.012   72.360   9.4439 -23.91544 16.89760 
1 1 1  -11    9   75 o   87.214   6.3779   52.455   7.5167   57.988   11.068   47.717   10.241   91.481   8.9282   82.947   9.1104 8.534042 12.75583 
1 1 1  -11    9   76 o  144.960   5.1688  144.368   10.139  154.686   14.776  135.189   13.938  149.852   7.2766  140.069   7.3429 9.783142 10.33763 
1 1 1  -11    9   77 f  106.388   5.7724   78.768   8.2876   72.601   11.918   84.543   11.533  102.206   8.6045  110.570   7.6970 -8.363258 11.54472 
1 1 1  -11    9   78 o   90.897   8.2787   57.455   10.198   0.0000   0.0000   57.455   10.198  ?   ?    90.897   8.2787      ?      ? 
1 1 1  -11    9   79 o   50.784   12.557   19.322   8.5930   0.0000   0.0000   19.322   8.5930  ?   ?    50.784   12.557      ?      ? 
1 1 1  -11    9   80 o   87.348   7.5246   52.999   8.3000   58.435   14.966   50.585   9.9746   89.762   12.303   84.934   8.6662 4.828217 15.04913 
1 1 1  -11    9   81 o   37.001   9.8413   8.5377   6.6912   3.0016   12.117   10.966   8.0258   34.943   14.798   39.059   12.978 -4.115570 19.68262 
1 1 1  -11    9   82 o   50.213   9.1462   21.077   6.9930   6.8494   12.132   28.156   8.5577   37.706   15.272   62.721   10.068 -25.01564 18.29249 
1 1 1  -11    9   83 o   61.388   10.270   31.040   10.022   50.455   13.465   6.9253   15.007   82.797   12.001   39.979   16.669 42.81738 20.53969 
1 1 1  -11    9   84 f   65.165   10.552   30.501   9.9570   13.491   12.748   57.117   15.946   43.474   16.181   86.857   13.547 -43.38341 21.10338 
1 1 1  -11    9   85 o   57.712   11.873   27.660   9.7345   26.889   12.646   28.780   15.251   57.257   15.788   58.166   17.737 -0.9088402 23.74557 
1 1 1  -11    9   86 o   89.978   9.5075   61.041   11.460   56.078   14.918   68.187   17.901   86.073   12.790   93.883   14.071 -7.809769 19.01490 
1 1 1  -11    9   87 o   96.467   11.930   69.814   15.596   69.814   15.596   0.0000   0.0000   96.467   11.930  ?   ?       ?      ? 
1 1 1  -11    9   88 o   57.463   16.187   28.003   13.143   28.003   13.143   0.0000   0.0000   57.463   16.187  ?   ?       ?      ? 
1 1 1  -11    9   89 o   54.541   15.957   25.354   12.544   25.354   12.544   0.0000   0.0000   54.541   15.957  ?   ?       ?      ? 
1 1 1  -11    9   90 o   43.136   15.564   14.911   11.649   14.911   11.649   0.0000   0.0000   43.136   15.564  ?   ?       ?      ? 
1 1 1  -11    9   91 o   46.425   16.010   18.478   12.220   18.478   12.220   0.0000   0.0000   46.425   16.010  ?   ?       ?      ? 
1 1 1  -11   10    1 o  378.745   5.4250  972.794   27.841  976.802   39.166  968.700   39.584  379.536   7.6151  377.954   7.7285 1.581818 10.84990 
1 1 1  -11   10    2 o  453.848   6.0413  1396.90   37.152  1424.02   52.816  1370.34   52.271  458.210   8.5058  449.487   8.5814 8.723907 12.08262 
1 1 1  -11   10    3 o  358.000   5.2733  869.067   25.581  869.450   35.971  868.675   36.386  358.082   7.4129  357.919   7.5019 0.1629028 10.54652 
1 1 1  -11   10    4 o  417.350   5.7325  1180.79   32.412  1219.76   46.314  1143.38   45.377  424.099   8.0586  410.601   8.1551 13.49750 11.46506 
1 1 1  -11   10    5 o  609.449   10.600  2520.55   87.543   0.0000   0.0000  2520.55   87.543  ?   ?   609.449   10.600      ?      ? 
1 1 1  -11   10    6 o  653.709   7.8945  2894.14   69.857  3046.31  101.689  2758.15   96.131  669.943   11.201  637.477   11.128 32.46594 15.78899 
1 1 1  -11   10    7 f  411.055   5.6967  1145.85   31.731  1162.68   45.000  1129.21   44.749  414.059   8.0199  408.052   8.0926 6.006744 11.39338 
1 1 1  -11   10    8 o  367.066   5.3632  913.689   26.677  917.144   37.595  910.185   37.860  367.767   7.5435  366.366   7.6258 1.401215 10.72644 
1 1 1  -11   10    9 o  422.244   5.8077  1208.88   33.227  1193.02   46.514  1225.41   47.481  419.417   8.1838  425.070   8.2429 -5.652435 11.61550 
1 1 1  -11   10   10 o  361.667   6.0260  886.558   25.982  885.884   30.247  888.455   50.751  361.491   6.1744  361.842   10.350 -0.3511658 12.05191 
1 1 1  -11   10   11 o  348.704   5.9070  825.083   24.635  825.529   28.738  823.844   47.838  348.962   6.0772  348.446   10.131 0.5158386 11.81401 
1 1 1  -11   10   12 o  345.996   6.3005  806.989   28.346  794.443   35.281  829.836   47.610  342.278   7.6064  349.714   10.046 -7.435699 12.60105 
1 1 1  -11   10   13 o  475.673   7.5664  1507.30   46.073  1452.67   56.073  1620.84   80.833  462.765   8.9415  488.580   12.209 -25.81470 15.13289 
1 1 1  -11   10   14 o  465.410   7.0336  1482.81   39.100  1497.75   45.693  1441.97   75.565  469.984   7.1744  460.836   12.100 9.147308 14.06725 
1 1 1  -11   10   15 o  268.591   5.6173  482.597   19.570  467.106   24.193  511.922   33.286  262.473   6.8018  274.709   8.9415 -12.23560 11.23454 
1 1 1  -11   10   16 o  484.608   7.7892  1626.03   49.309  1729.23   63.118  1464.41   78.989  504.865   9.2256  464.352   12.553 40.51343 15.57830 
1 1 1  -11   10   17 o  583.333   8.2332  2251.49   55.952  2197.50   64.018  2426.18  115.147  569.194   8.2997  597.472   14.222 -28.27869 16.46641 
1 1 1  -11   10   18 o  498.143   7.8039  1686.91   49.963  1692.00   61.624  1677.12   85.355  499.394   9.1059  496.892   12.676 2.502258 15.60771 
1 1 1  -11   10   19 o  501.625   9.1783  1707.25   62.392  1707.25   62.392   0.0000   0.0000  501.625   9.1783  ?   ?       ?      ? 
1 1 1  -11   10   20 o  596.727   10.389  2417.00   84.008  2417.00   84.008   0.0000   0.0000  596.727   10.389  ?   ?       ?      ? 
1 1 1  -11   10   21 o  372.386   6.5709  953.440   31.705  985.880   39.798  897.094   52.451  381.256   7.7031  363.517   10.647 17.73941 13.14175 
1 1 1  -11   10   22 f  426.708   7.0367  1222.23   38.457  1195.14   46.972  1277.30   66.973  419.732   8.2582  433.685   11.396 -13.95340 14.07340 
1 1 1  -11   10   23 o  508.916   7.9284  1750.60   51.677  1733.74   63.306  1784.28   89.466  505.448   9.2424  512.384   12.885 -6.935730 15.85684 
1 1 1  -11   10   24 o  276.125   5.3790  510.230   18.039  501.762   21.149  532.839   34.558  272.042   5.7368  280.207   9.1009 -8.165070 10.75809 
1 1 1  -11   10   25 o  408.641   5.7234  1132.93   31.694  1135.52   44.815  1130.34   44.829  409.109   8.0835  408.173   8.1046 0.9359436 11.44671 
1 1 1  -11   10   27 o  360.376   5.3589  880.503   26.161  901.498   37.631  860.865   36.395  364.529   7.6177  356.223   7.5395 8.305267 10.71789 
1 1 1  -11   10   28 o  548.998   6.9255  2046.67   51.523  2042.32   72.944  2051.00   72.785  548.413   9.8152  549.583   9.7730 -1.170166 13.85099 
1 1 1  -11   10   29 o  522.874   6.7066  1856.46   47.520  1852.90   67.366  1859.99   67.042  522.370   9.5165  523.377   9.4525 -1.006470 13.41324 
1 1 1  -11   10   30 o  487.461   6.3974  1613.17   42.256  1584.88   59.443  1642.08   60.082  483.137   9.0792  491.785   9.0154 -8.648285 12.79485 
1 1 1  -11   10   31 o  428.070   7.3061  1236.53   39.502  1268.80   70.377  1221.69   47.730  431.904   12.024  424.235   8.3023 7.668945 14.61214 
1 1 1  -11   10   32 o  466.685   7.7274  1484.74   45.874  1468.63   79.891  1492.66   56.032  464.521   12.691  468.849   8.8190 -4.327850 15.45473 
1 1 1  -11   10   33 o  183.516   8.4712  228.673   21.067   0.0000   0.0000  228.673   21.067  ?   ?   183.516   8.4712      ?      ? 
1 1 1  -11   10   34 o  273.394   6.6680  508.167   24.662  471.550   34.718  545.464   35.038  263.422   9.7257  283.366   9.1246 -19.94385 13.33592 
1 1 1  -11   10   35 o  208.518   5.6183  297.781   14.924  287.582   25.760  302.934   18.309  205.732   9.2399  211.304   6.3941 -5.572342 11.23652 
1 1 1  -11   10   36 o  166.209   5.5503  182.347   11.706  202.338   21.037  173.380   14.089  172.569   8.9956  159.849   6.5040 12.71976 11.10061 
1 1 1  -11   10   37 o  247.260   5.8210  417.708   18.365  407.911   31.689  422.662   22.535  244.961   9.5463  249.560   6.6635 -4.598907 11.64195 
1 1 1  -11   10   38 o  210.066   5.8482  300.751   15.679  302.727   19.216  296.816   27.117  211.193   6.7143  208.939   9.5773 2.254883 11.69641 
1 1 1  -11   10   39 o  140.053   4.8100  133.110   9.1098  133.686   13.335  132.606   12.475  140.329   7.0122  139.777   6.5859 0.5520325 9.619988 
1 1 1  -11   10   40 o  321.213   5.1484  700.682   22.406  697.754   31.984  703.505   31.397  320.546   7.3630  321.880   7.1980 -1.334106 10.29686 
1 1 1  -11   10   41 o  206.108   4.6766  287.978   13.046  296.015   19.020  280.837   17.928  208.813   6.7216  203.402   6.5041 5.411270 9.353245 
1 1 1  -11   10   42 o  267.294   4.8924  484.197   17.701  505.221   25.789  465.467   24.341  272.765   6.9768  261.823   6.8604 10.94202 9.784713 
1 1 1  -11   10   43 o  260.066   6.9616  459.313   24.534  459.313   24.534   0.0000   0.0000  260.066   6.9616  ?   ?       ?      ? 
1 1 1  -11   10   44 o  204.663   4.7227  284.392   13.091  285.752   18.847  283.124   18.197  205.129   6.7801  204.197   6.5762 0.9318085 9.445415 
1 1 1  -11   10   45 o  298.488   5.0562  603.374   20.420  645.201   29.856  566.609   27.991  308.177   7.1490  288.798   7.1522 19.37903 10.11242 
1 1 1  -11   10   46 o  218.440   6.8937  324.134   20.407  324.134   20.407   0.0000   0.0000  218.440   6.8937  ?   ?       ?      ? 
1 1 1  -11   10   47 o  285.923   6.2631  565.627   22.660  529.859   39.282  583.467   27.742  278.799   10.397  293.048   6.9857 -14.24860 12.52612 
1 1 1  -11   10   48 o  272.562   7.2059  506.058   26.603  528.491   38.152  484.831   37.113  278.450   10.111  266.675   10.270 11.77466 14.41177 
1 1 1  -11   10   49 o  341.743   7.7219  796.986   35.759  786.390   50.274  807.836   50.873  339.442   10.929  344.043   10.912 -4.601349 15.44383 
1 1 1  -11   10   50 o  190.973   4.8012  248.075   12.410  242.246   17.878  253.493   17.239  188.790   6.9882  193.156   6.5858 -4.366409 9.602485 
1 1 1  -11   10   51 o  226.993   4.8214  349.892   14.818  357.065   21.495  343.396   20.455  229.198   6.9207  224.788   6.7148 4.409210 9.642881 
1 1 1  -11   10   52 o  150.099   5.7864  154.941   11.522  161.964   15.045  144.978   17.919  154.334   7.1937  145.865   9.0654 8.469299 11.57282 
1 1 1  -11   10   53 o  187.159   5.5932  228.709   13.731  202.736   17.028  276.988   23.216  172.650   7.2780  201.667   8.4951 -29.01712 11.18641 
1 1 1  -11   10   54 o  142.108   10.762  138.011   20.725   0.0000   0.0000  138.011   20.725  ?   ?   142.108   10.762      ?      ? 
1 1 1  -11   10   55 o  201.586   4.8897  276.278   13.345  278.131   19.329  274.590   18.446  202.217   7.0536  200.955   6.7738 1.261505 9.779387 
1 1 1  -11   10   56 o  215.949   4.9228  317.581   14.386  308.151   20.706  326.379   20.001  212.820   7.1796  219.077   6.7371 -6.257690 9.845578 
1 1 1  -11   10   57 o  252.999   5.0426  436.004   17.263  409.717   24.451  462.130   24.376  245.354   7.3541  260.645   6.9014 -15.29074 10.08522 
1 1 1  -11   10   58 o  130.611   5.3189  116.034   9.3796  117.483   13.911  114.827   12.701  131.333   7.8164  129.890   7.2156 1.442657 10.63775 
1 1 1  -11   10   59 f  120.168   6.6946   95.195   9.9726  107.156   18.754   90.479   11.776  125.073   11.065  115.264   7.5388 9.808304 13.38912 
1 1 1  -11   10   60 o  193.251   6.0857  255.092   14.695  254.055   26.493  255.554   17.661  192.706   10.145  193.795   6.7249 -1.089081 12.17147 
1 1 1  -11   10   61 o  141.183   5.2705  135.355   10.041  140.496   15.011  131.191   13.509  143.574   7.7153  138.793   7.1823 4.781189 10.54100 
1 1 1  -11   10   62 o  118.967   5.7214   98.274   9.0587   81.992   13.317  112.296   12.358  109.539   8.9715  128.396   7.1027 -18.85696 11.44273 
1 1 1  -11   10   63 o  233.686   5.0684  371.605   15.999  378.922   23.694  365.473   21.689  235.749   7.4166  231.622   6.9101 4.127121 10.13683 
1 1 1  -11   10   64 o  153.182   6.4490  163.380   12.267  153.501   22.006  167.834   14.776  149.441   10.866  156.923   6.9485 -7.482239 12.89796 
1 1 1  -11   10   65 o  126.106   5.5802  107.809   9.4986  119.028   14.205   98.735   12.775  131.988   7.9420  120.224   7.8410 11.76405 11.16047 
1 1 1  -11   10   66 o  146.988   7.5644  147.611   15.067  147.611   15.067   0.0000   0.0000  146.988   7.5644  ?   ?       ?      ? 
1 1 1  -11   10   67 o   99.911   5.9947   67.914   8.0851   76.385   12.001   60.875   10.940  105.586   8.3877   94.236   8.5670 11.34970 11.98947 
1 1 1  -11   10   68 o  113.495   5.6928   88.268   8.7393   88.275   12.752   88.262   12.000  113.461   8.2939  113.531   7.8002 -0.6994629E-01 11.38560 
1 1 1  -11   10   69 o  191.682   10.314  254.044   26.791   0.0000   0.0000  254.044   26.791  ?   ?   191.682   10.314      ?      ? 
1 1 1  -11   10   70 o  142.107   5.3606  140.018   10.118  107.826   14.234  172.901   14.386  125.220   8.3883  158.994   6.6770 -33.77422 10.72126 
1 1 1  -11   10   71 o   94.314   6.8343   60.656   8.6178   56.264   11.156   67.156   13.571   90.254   9.1210   98.373   10.180 -8.119637 13.66863 
1 1 1  -11   10   72 o   93.589   6.9495   59.593   8.6850   54.040   11.185   68.024   13.783   88.319   9.3456   98.859   10.288 -10.54092 13.89899 
1 1 1  -11   10   73 o  153.165   5.1092  160.960   10.591  168.199   15.471  154.575   14.528  156.376   7.3009  149.955   7.1494 6.420929 10.21848 
1 1 1  -11   10   74 o   57.131   8.7185   23.587   6.5384   28.695   9.8745   19.599   8.7251   62.727   12.055   51.535   12.599 11.19221 17.43709 
1 1 1  -11   10   75 o  157.870   5.0343  171.815   10.761  172.216   15.554  171.447   14.902  157.990   7.2649  157.749   6.9712 0.2411652 10.06857 
1 1 1  -11   10   76 o   80.548   6.6071   44.951   7.1700   52.113   10.737   39.185   9.6326   86.325   9.1783   74.771   9.5066 11.55393 13.21425 
1 1 1  -11   10   77 f   88.615   8.2182   54.712   9.8689   0.0000   0.0000   54.712   9.8689  ?   ?    88.615   8.2182      ?      ? 
1 1 1  -11   10   78 o   65.175   9.8977   38.240   7.9969   17.542   15.359   45.937   9.3666   49.355   17.861   80.996   8.5337 -31.64090 19.79539 
1 1 1  -11   10   79 o   93.800   7.6465   65.609   8.8349   56.294   15.504   70.088   10.751   87.463   13.081  100.137   7.9229 -12.67403 15.29291 
1 1 1  -11   10   80 o   79.213   8.7279   49.165   8.1643   39.594   14.289   53.804   9.9481   70.987   15.304   87.439   8.3956 -16.45239 17.45587 
1 1 1  -11   10   81 o   50.612   10.105   10.370   9.3762  -9.7168   11.863   43.807   15.305   27.049   12.706   74.175   15.715 -47.12624 20.20930 
1 1 1  -11   10   82 o   40.260   11.255   9.7309   8.9948   10.382   11.594   8.7467   14.256   40.009   15.310   40.511   16.501 -0.5014534 22.50958 
1 1 1  -11   10   83 o   74.356   10.884   41.043   10.885   23.362   13.855   69.550   17.592   53.125   17.012   95.587   13.581 -42.46238 21.76798 
1 1 1  -11   10   84 o   79.433   10.905   50.212   11.091   47.572   14.182   54.368   17.795   77.862   13.953   81.005   16.763 -3.142845 21.81058 
1 1 1  -11   10   85 o   51.633   11.719   22.867   9.6050   27.181   12.127   15.606   15.733   57.459   15.302   45.808   17.754 11.65032 23.43835 
1 1 1  -11   10   86 o   77.074   13.851   47.072   13.935   47.072   13.935   0.0000   0.0000   77.074   13.851  ?   ?       ?      ? 
1 1 1  -11   10   87 o   44.855   16.119   16.101   12.480   16.101   12.480   0.0000   0.0000   44.855   16.119  ?   ?       ?      ? 
1 1 1  -11   10   88 o   29.916   13.358  -0.8790   11.039  -0.8790   11.039   0.0000   0.0000   29.916   13.358  ?   ?       ?      ? 
1 1 1  -11   10   89 o   57.600   15.928   28.864   12.850   28.864   12.850   0.0000   0.0000   57.600   15.928  ?   ?       ?      ? 
1 1 1  -11   10   90 o   30.646   13.642   0.2648   11.419   0.2648   11.419   0.0000   0.0000   30.646   13.642  ?   ?       ?      ? 
1 1 1  -11   11    1 o  461.980   6.1499  1448.18   38.498  1450.44   54.107  1445.86   54.787  462.350   8.6358  461.611   8.7583 0.7392578 12.29980 
1 1 1  -11   11    2 o  576.583   7.1790  2256.65   56.086  2243.77   78.619  2269.99   80.035  574.916   10.091  578.251   10.214 -3.335571 14.35793 
1 1 1  -11   11    3 o  715.305   8.5261  3471.57   82.592  3614.30  119.407  3340.65  114.362  729.379   12.081  701.231   12.035 28.14795 17.05226 
1 1 1  -11   11    4 o  892.955   10.296  5421.98  124.562  5337.18  174.097  5510.90  178.292  885.818   14.503  900.092   14.617 -14.27338 20.59135 
1 1 1  -11   11    5 o  629.980   7.6891  2693.51   65.626  2767.35   94.046  2623.43   91.619  638.391   10.871  621.569   10.877 16.82190 15.37823 
1 1 1  -11   11    6 o  603.383   7.4363  2471.58   60.800  2453.97   85.349  2489.72   86.632  601.206   10.476  605.560   10.557 -4.354248 14.87265 
1 1 1  -11   11    7 o  941.800   10.818  6031.55  138.010  6196.35  198.437  5877.16  192.070  954.239   15.346  929.360   15.251 24.87842 21.63500 
1 1 1  -11   11    8 o  696.254   10.281  3301.08   91.334  3286.47  158.380  3308.35  111.795  694.642   16.825  697.866   11.821 -3.224426 20.56275 
1 1 1  -11   11    9 o  593.869   9.0871  2388.81   68.575  2420.42  120.401  2373.64   83.429  596.456   14.896  591.282   10.412 5.173401 18.17418 
1 1 1  -11   11   10 o  441.534   7.2452  1322.94   41.071  1321.71   50.549  1325.35   70.454  441.369   8.4514  441.699   11.771 -0.3301392 14.49040 
1 1 1  -11   11   11 f  299.146   5.5867  606.901   20.027  606.718   23.384  607.405   38.793  299.144   5.7684  299.149   9.5693 -0.4638672E-02 11.17344 
1 1 1  -11   11   12 o  385.751   6.6908  992.458   33.238  955.928   40.706  1065.53   57.573  375.379   8.0022  396.122   10.725 -20.74316 13.38158 
1 1 1  -11   11   13 o  162.154   4.8549  172.027   9.7087  163.793   11.421  193.472   18.433  155.435   5.4224  168.873   8.0547 -13.43803 9.709757 
1 1 1  -11   11   14 o  219.348   5.0468  319.706   13.432  311.802   15.709  341.197   25.903  214.456   5.4053  224.241   8.5242 -9.785049 10.09356 
1 1 1  -11   11   15 o  328.482   5.7756  721.360   22.591  709.949   26.186  754.569   44.671  323.579   5.9718  333.384   9.8878 -9.804749 11.55123 
1 1 1  -11   11   16 o  135.657   5.5592  124.771   10.220  124.771   10.220   0.0000   0.0000  135.657   5.5592  ?   ?       ?      ? 
1 1 1  -11   11   17 o  195.788   6.9260  259.996   18.376  259.996   18.376   0.0000   0.0000  195.788   6.9260  ?   ?       ?      ? 
1 1 1  -11   11   18 o  402.695   6.5042  1123.29   31.497  1151.03   37.095  1051.62   59.624  411.964   6.6446  393.427   11.183 18.53635 13.00850 
1 1 1  -11   11   19 o  425.108   6.6290  1203.21   33.288  1179.42   38.387  1275.33   66.841  416.998   6.7930  433.218   11.386 -16.22055 13.25804 
1 1 1  -11   11   20 o  220.938   5.4861  321.509   15.973  292.729   20.010  372.063   26.521  207.732   7.1083  234.144   8.3583 -26.41141 10.97218 
1 1 1  -11   11   21 o   87.430   5.8264   52.223   6.5180   52.948   8.0243   50.816   11.175   88.352   6.7020   86.508   9.5327 1.843529 11.65289 
1 1 1  -11   11   22 o  256.124   5.3389  451.444   16.637  459.822   19.700  430.614   31.063  260.407   5.5826  251.841   9.1021 8.566086 10.67770 
1 1 1  -11   11   23 o  294.159   5.5438  582.936   19.721  577.809   23.104  596.702   37.858  291.895   5.8408  296.422   9.4245 -4.527283 11.08766 
1 1 1  -11   11   24 o  361.318   6.1023  886.051   26.493  885.744   30.983  886.885   51.094  361.366   6.3269  361.270   10.437 0.9640503E-01 12.20454 
1 1 1  -11   11   25 o  253.010   5.6695  432.961   18.759  428.695   23.559  440.353   31.008  251.370   6.9160  254.650   8.9856 -3.280090 11.33899 
1 1 1  -11   11   26 o  355.191   6.4696  859.346   29.817  865.572   37.224  848.199   49.809  357.115   7.6918  353.266   10.405 3.849182 12.93911 
1 1 1  -11   11   27 o  380.088   6.2295  954.725   28.126  927.642   32.469  1036.15   56.297  369.780   6.4795  390.396   10.641 -20.61591 12.45890 
1 1 1  -11   11   28 o  381.044   10.769  987.319   55.606   0.0000   0.0000  987.319   55.606  ?   ?   381.044   10.769      ?      ? 
1 1 1  -11   11   29 o  269.309   9.2230  492.769   33.659   0.0000   0.0000  492.769   33.659  ?   ?   269.309   9.2230      ?      ? 
1 1 1  -11   11   30 o  189.818   5.5413  245.097   13.432  243.250   23.238  246.024   16.460  189.214   9.0628  190.422   6.3787 -1.208023 11.08255 
1 1 1  -11   11   31 o  311.973   6.0929  650.249   24.173  692.547   42.876  630.539   29.268  319.157   9.9136  304.789   7.0862 14.36816 12.18578 
1 1 1  -11   11   32 o  336.985   5.2405  768.950   23.898  811.271   34.929  731.700   32.769  345.675   7.4564  328.294   7.3658 17.38159 10.48110 
1 1 1  -11   11   33 o  117.749   5.0024   93.749   7.9534   98.325   11.860   90.010   10.721  120.343   7.2727  115.155   6.8704 5.188255 10.00477 
1 1 1  -11   11   34 o  115.812   5.1028   90.265   7.9684   99.250   12.025   83.231   10.640  120.901   7.3397  110.723   7.0909 10.17836 10.20554 
1 1 1  -11   11   35 o  219.841   5.9167  335.688   16.637  352.181   20.682  305.436   28.009  227.777   6.7003  211.906   9.7537 15.87112 11.83336 
1 1 1  -11   11   36 o  151.406   6.0272  154.809   11.706  152.762   14.351  158.877   20.233  149.994   7.0604  152.819   9.7703 -2.825104 12.05432 
1 1 1  -11   11   37 o  317.421   5.1614  682.532   22.168  716.490   32.458  652.844   30.349  324.795   7.3745  310.048   7.2233 14.74619 10.32274 
1 1 1  -11   11   38 o  331.106   7.4976  744.740   33.641  744.740   33.641   0.0000   0.0000  331.106   7.4976  ?   ?       ?      ? 
1 1 1  -11   11   39 o  417.100   8.3454  1182.70   47.171  1182.70   47.171   0.0000   0.0000  417.100   8.3454  ?   ?       ?      ? 
1 1 1  -11   11   40 o  106.622   5.5937   77.664   8.0090   73.986   12.003   80.616   10.753  104.310   8.4911  108.934   7.2842 -4.624542 11.18746 
1 1 1  -11   11   41 o  318.970   5.1764  691.254   22.368  667.489   31.484  715.476   31.784  313.423   7.4126  324.517   7.2274 -11.09341 10.35287 
1 1 1  -11   11   42 o  221.697   4.7721  333.557   14.320  339.352   20.834  328.367   19.716  223.511   6.8784  219.884   6.6166 3.626450 9.544249 
1 1 1  -11   11   43 o  262.739   4.9045  468.354   17.442  481.602   25.410  456.551   23.985  266.237   7.0430  259.241   6.8273 6.995392 9.808922 
1 1 1  -11   11   44 o  233.064   6.9447  369.077   21.934  369.077   21.934   0.0000   0.0000  233.064   6.9447  ?   ?       ?      ? 
1 1 1  -11   11   45 o  297.094   5.0954  599.877   20.492  563.217   28.741  637.784   29.226  287.841   7.3683  306.347   7.0400 -18.50577 10.19088 
1 1 1  -11   11   46 o  117.223   6.5594   90.367   9.4640  101.367   18.010   86.170   11.124  121.861   10.906  112.585   7.2909 9.275360 13.11874 
1 1 1  -11   11   47 o  218.500   4.8233  323.977   14.263  333.519   20.817  315.532   19.582  221.517   6.9345  215.483   6.7058 6.034393 9.646547 
1 1 1  -11   11   48 o  277.663   5.0121  524.330   18.852  511.684   26.775  536.763   26.549  274.326   7.2024  280.999   6.9720 -6.672943 10.02413 
1 1 1  -11   11   49 o  200.091   5.9340  284.018   15.412  332.987   20.352  218.175   23.599  221.330   6.7854  178.852   9.7368 42.47797 11.86794 
1 1 1  -11   11   50 o  262.189   5.8646  457.885   19.967  434.236   24.624  503.283   34.116  252.682   7.1912  271.696   9.2661 -19.01381 11.72925 
1 1 1  -11   11   51 o  329.011   7.6467  736.670   34.093  736.670   34.093   0.0000   0.0000  329.011   7.6467  ?   ?       ?      ? 
1 1 1  -11   11   52 o  335.856   6.6999  759.211   28.780  738.928   35.076  800.998   50.346  329.448   7.8566  342.265   10.855 -12.81686 13.39974 
1 1 1  -11   11   53 o  189.643   7.3247  245.774   18.823  248.867   26.710  242.721   26.531  190.834   10.329  188.453   10.389 2.380432 14.64946 
1 1 1  -11   11   54 o  214.436   7.2442  314.165   21.043  326.391   30.049  302.399   29.479  218.546   10.146  210.326   10.343 8.220474 14.48850 
1 1 1  -11   11   55 o  218.244   4.9777  323.714   14.706  332.112   21.395  316.193   20.247  220.910   7.1469  215.578   6.9305 5.331482 9.955431 
1 1 1  -11   11   56 o  107.778   5.9812   81.266   8.5081   64.540   12.583   95.352   11.548   97.202   9.5529  118.355   7.2000 -21.15242 11.96236 
1 1 1  -11   11   57 f  133.052   6.9657  131.528   11.066   97.100   19.670  147.469   13.385  118.885   12.210  147.219   6.7092 -28.33311 13.93149 
1 1 1  -11   11   58 o  138.148   6.3557  123.004   10.900  148.780   20.737  113.164   12.812  147.403   10.381  128.894   7.3352 18.50943 12.71133 
1 1 1  -11   11   59 o   83.418   6.7204   46.434   7.4975   55.317   11.818   40.451   9.6994   89.915   9.6990   76.920   9.3051 12.99507 13.44084 
1 1 1  -11   11   60 o  102.104   6.0970   70.849   8.3453   73.700   12.883   68.788   10.954  103.812   9.1579  100.397   8.0514 3.414459 12.19393 
1 1 1  -11   11   61 o  309.136   6.4985  636.700   25.153  699.425   46.219  610.304   29.982  319.124   10.688  299.148   7.3960 19.97592 12.99708 
1 1 1  -11   11   62 o  248.377   10.369  423.784   34.899  423.784   34.899   0.0000   0.0000  248.377   10.369  ?   ?       ?      ? 
1 1 1  -11   11   63 o  108.245   5.9354   80.488   8.6358   77.473   12.926   82.919   11.606  106.332   8.9702  110.159   7.7749 -3.826675 11.87071 
1 1 1  -11   11   64 o   88.649   6.6218   55.315   7.7483   45.307   11.617   63.335   10.400   81.083   10.572   96.215   7.9761 -15.13245 13.24354 
1 1 1  -11   11   65 o  107.773   5.9043   78.283   8.5488   90.925   13.163   69.062   11.242  115.159   8.4349  100.387   8.2642 14.77189 11.80868 
1 1 1  -11   11   66 o  143.152   5.3077  140.731   10.254  134.147   14.976  146.543   14.069  139.911   7.8986  146.392   7.0921 -6.481705 10.61532 
1 1 1  -11   11   67 o  116.710   7.3874   93.555   11.022   92.045   13.468   96.618   19.177  115.700   8.5899  117.720   12.021 -2.020042 14.77485 
1 1 1  -11   11   68 o  128.571   5.4356  113.059   9.4450  118.776   13.992  108.273   12.802  131.511   7.8512  125.632   7.5194 5.879730 10.87120 
1 1 1  -11   11   69 o   59.543   9.5135   26.847   7.8188   35.982   10.502   15.489   11.711   71.870   10.784   47.216   15.676 24.65381 19.02707 
1 1 1  -11   11   70 f   49.470   10.231   17.855   7.2677   17.361   9.8097   18.457   10.821   48.728   14.070   50.212   14.858 -1.484131 20.46280 
1 1 1  -11   11   71 o   88.583   6.4749   55.759   7.5783   45.346   11.266   64.364   10.242   80.562   10.320   96.603   7.8235 -16.04131 12.94987 
1 1 1  -11   11   72 o   65.829   7.3870   30.165   6.5483   32.389   9.9502   28.466   8.6971   67.873   10.818   63.786   10.062 4.087048 14.77391 
1 1 1  -11   11   73 o  102.549   5.6710   72.299   7.8494   80.928   11.703   65.243   10.583  108.075   7.9909   97.023   8.0490 11.05209 11.34195 
1 1 1  -11   11   74 o   93.142   6.1531   61.719   7.5892   48.993   11.036   73.136   10.453   83.507   9.7527  102.777   7.5052 -19.26979 12.30619 
1 1 1  -11   11   75 o   97.311   7.5357   65.148   8.9533   72.278   17.141   62.473   10.499   99.937   12.657   94.684   8.1829 5.252975 15.07148 
1 1 1  -11   11   76 o   80.245   8.6675   45.154   9.4253   0.0000   0.0000   45.154   9.4253  ?   ?    80.245   8.6675      ?      ? 
1 1 1  -11   11   77 o   65.944   9.2811   32.551   7.5263   32.496   13.575   32.576   9.0434   64.200   15.727   67.689   9.8590 -3.488617 18.56217 
1 1 1  -11   11   78 o   64.355   9.5551   34.742   7.6798   22.428   13.556   40.562   9.3197   53.040   16.811   75.670   9.0886 -22.63052 19.11014 
1 1 1  -11   11   79 o   60.998   11.947   30.644   10.225   32.263   13.784   28.663   15.247   63.201   16.061   58.794   17.692 4.406376 23.89435 
1 1 1  -11   11   80 o   50.918   11.718   20.724   9.7892   28.249   13.361   12.003   14.384   58.755   16.239   43.082   16.898 15.67288 23.43628 
1 1 1  -11   11   81 o   90.836   9.5312   61.993   11.659   53.956   15.634   72.066   17.501   84.100   13.718   97.572   13.236 -13.47153 19.06237 
1 1 1  -11   11   82 f   53.889   11.485   19.508   10.018   5.5588   12.675   42.724   16.352   36.544   15.285   71.234   17.146 -34.69020 22.96962 
1 1 1  -11   11   83 o   28.856   9.3306  -5.2126   8.3719   0.3483   10.664 -14.1459   13.516   30.639   13.428   27.073   12.959 3.565893 18.66121 
1 1 1  -11   11   84 o   23.439   8.1003 -17.7214   8.2580 -15.3602   10.438 -21.6723   13.502   22.357   10.868   24.521   12.015 -2.163553 16.20066 
1 1 1  -11   11   85 o   56.406   16.083   27.074   12.894   27.074   12.894   0.0000   0.0000   56.406   16.083  ?   ?       ?      ? 
1 1 1  -11   11   86 o   60.965   15.850   31.705   13.216   31.705   13.216   0.0000   0.0000   60.965   15.850  ?   ?       ?      ? 
1 1 1  -11   11   87 o   68.759   15.044   39.649   13.628   39.649   13.628   0.0000   0.0000   68.759   15.044  ?   ?       ?      ? 
1 1 1  -11   11   88 o   30.546   13.551   0.4547   11.175   0.4547   11.175   0.0000   0.0000   30.546   13.551  ?   ?       ?      ? 
1 1 1  -11   11   89 f   35.892   14.755   7.8943   11.530   7.8943   11.530   0.0000   0.0000   35.892   14.755  ?   ?       ?      ? 
1 1 1  -11   12    1 o  319.574   6.1077  679.618   24.833  654.910   30.040  732.949   44.134  310.684   7.1350  328.465   9.9151 -17.78140 12.21546 
1 1 1  -11   12    2 o  190.551   6.5488  247.407   16.792  239.049   25.045  254.231   22.632  187.589   9.8522  193.512   8.6302 -5.923035 13.09757 
1 1 1  -11   12    3 o  242.792   6.7091  401.987   21.983  370.320   31.634  431.563   30.572  233.475   9.9986  252.108   8.9484 -18.63373 13.41811 
1 1 1  -11   12    4 o  476.034   8.9471  1540.57   57.677  1462.11   80.397  1623.78   82.791  463.533   12.799  488.535   12.506 -25.00195 17.89430 
1 1 1  -11   12    5 o  479.045   7.6623  1552.70   46.879  1538.95   57.277  1580.60   81.588  476.089   8.8779  482.000   12.491 -5.911530 15.32454 
1 1 1  -11   12    6 o  466.263   7.5511  1481.23   45.145  1489.24   55.580  1465.68   77.395  468.349   8.7572  464.176   12.304 4.172852 15.10229 
1 1 1  -11   12    7 o  446.029   7.3114  1341.14   41.622  1320.66   50.743  1383.24   72.764  441.071   8.4896  450.988   11.906 -9.916840 14.62285 
1 1 1  -11   12    8 o  252.526   5.6196  433.568   18.323  435.346   22.722  430.261   30.986  253.332   6.6188  251.720   9.0837 1.612442 11.23928 
1 1 1  -11   12    9 o  177.150   5.3173  210.031   12.251  202.941   15.192  223.216   20.718  172.968   6.4816  181.333   8.4310 -8.364761 10.63453 
1 1 1  -11   12   10 o  336.714   6.3183  782.008   27.500  812.992   34.480  727.844   45.587  346.141   7.3507  327.287   10.279 18.85339 12.63650 
1 1 1  -11   12   11 f  251.607   9.1374  429.912   31.155   0.0000   0.0000  429.912   31.155  ?   ?   251.607   9.1374      ?      ? 
1 1 1  -11   12   13 o  252.387   6.6490  432.132   22.741  432.132   22.741   0.0000   0.0000  252.387   6.6490  ?   ?       ?      ? 
1 1 1  -11   12   14 o  286.262   5.8321  547.179   21.473  528.391   26.277  584.951   37.257  279.066   6.9483  293.459   9.3688 -14.39337 11.66416 
1 1 1  -11   12   15 o  252.636   5.6806  436.622   18.614  445.235   23.301  421.436   30.942  256.176   6.7122  249.096   9.1665 7.079453 11.36127 
1 1 1  -11   12   16 o  437.452   11.740  1301.84   69.598   0.0000   0.0000  1301.84   69.598  ?   ?   437.452   11.740      ?      ? 
1 1 1  -11   12   17 o  328.286   6.2268  732.097   26.385  732.525   32.678  731.297   44.723  328.539   7.3399  328.032   10.061 0.5063477 12.45368 
1 1 1  -11   12   18 o  224.672   8.8444  342.835   26.928   0.0000   0.0000  342.835   26.928  ?   ?   224.672   8.8444      ?      ? 
1 1 1  -11   12   19 o  180.163   5.4265  219.073   12.803  215.533   16.088  225.187   21.145  178.230   6.6608  182.095   8.5688 -3.865326 10.85310 
1 1 1  -11   12   20 o  173.088   8.5987  203.475   20.169   0.0000   0.0000  203.475   20.169  ?   ?   173.088   8.5987      ?      ? 
1 1 1  -11   12   21 o  181.181   5.4629  224.043   12.990  227.761   16.511  218.003   21.045  183.210   6.6504  179.152   8.6687 4.058121 10.92580 
1 1 1  -11   12   22 o  400.013   6.8901  1092.53   35.638  1104.27   44.347  1071.12   59.883  403.256   8.1152  396.770   11.137 6.486115 13.78027 
1 1 1  -11   12   23 o  242.589   5.3320  403.422   15.801  408.670   18.732  390.479   29.418  245.455   5.6316  239.722   9.0558 5.733215 10.66410 
1 1 1  -11   12   24 o  122.954   6.4568  103.576   10.638   86.233   15.098  120.674   14.991  112.617   9.8932  133.290   8.2996 -20.67289 12.91352 
1 1 1  -11   12   25 o  274.297   7.0770  504.887   25.970  552.821   40.754  472.116   33.697  285.057   10.550  263.537   9.4356 21.52069 14.15404 
1 1 1  -11   12   26 o  287.190   5.9703  555.930   22.432  543.852   28.112  577.098   37.217  283.025   7.3296  291.355   9.4263 -8.329834 11.94060 
1 1 1  -11   12   27 o  122.735   5.3207   99.242   8.3532   93.554   10.116  111.429   14.808  117.412   6.3582  128.059   8.5331 -10.64642 10.64146 
1 1 1  -11   12   28 o  284.564   5.5044  540.439   18.943  529.206   22.131  571.224   36.636  279.279   5.8477  289.849   9.3272 -10.56982 11.00874 
1 1 1  -11   12   29 o  225.587   5.1490  335.165   14.259  321.898   16.749  370.091   27.176  217.818   5.6743  233.355   8.5936 -15.53694 10.29800 
1 1 1  -11   12   30 o  154.173   5.1325  158.339   9.9888  153.230   12.008  169.818   18.000  150.271   5.8965  158.076   8.4026 -7.804718 10.26510 
1 1 1  -11   12   31 o  305.555   5.7047  628.427   21.016  621.428   24.564  647.543   40.596  302.606   5.9902  308.505   9.7105 -5.898682 11.40948 
1 1 1  -11   12   32 o  324.361   6.4841  722.644   26.783  736.845   32.873  694.602   46.193  329.366   7.3651  319.355   10.674 10.01077 12.96825 
1 1 1  -11   12   33 o  168.833   5.9193  196.597   12.736  202.451   15.686  185.272   21.817  172.674   6.7036  164.992   9.7577 7.682159 11.83854 
1 1 1  -11   12   34 o  213.528   4.6650  309.675   13.491  306.520   19.352  312.659   18.818  212.461   6.7215  214.595   6.4709 -2.134445 9.330054 
1 1 1  -11   12   35 o  163.873   4.7058  182.649   10.431  176.297   15.047  188.525   14.473  161.113   6.8921  166.634   6.4093 -5.520721 9.411675 
1 1 1  -11   12   36 o  107.677   5.3355   79.440   7.7201   71.501   11.282   86.431   10.587  102.552   8.1184  112.803   6.9256 -10.25126 10.67109 
1 1 1  -11   12   37 o  122.103   5.0219  100.672   8.2802  108.752   12.362   94.097   11.152  126.515   7.2103  117.691   6.9921 8.823158 10.04384 
1 1 1  -11   12   38 o  154.728   4.7964  162.409   10.032  165.624   14.777  159.660   13.664  156.135   6.9839  153.322   6.5763 2.813400 9.592783 
1 1 1  -11   12   39 o  157.244   7.1464  168.022   15.228  168.022   15.228   0.0000   0.0000  157.244   7.1464  ?   ?       ?      ? 
1 1 1  -11   12   40 o  177.441   4.8279  213.074   11.579  225.447   17.146  202.701   15.700  182.149   6.9462  172.732   6.7071 9.416565 9.655837 
1 1 1  -11   12   41 o  369.266   5.5448  927.411   27.742  926.166   39.568  928.614   38.906  369.010   7.9128  369.522   7.7696 -0.5125732 11.08957 
1 1 1  -11   12   42 o  275.359   7.1761  515.425   26.778  515.425   26.778   0.0000   0.0000  275.359   7.1761  ?   ?       ?      ? 
1 1 1  -11   12   43 o  138.743   6.3963  133.698   10.902  124.939   19.908  137.449   13.029  135.271   10.860  142.215   6.7607 -6.944336 12.79257 
1 1 1  -11   12   44 o  117.534   6.6331   93.206   9.5986   96.442   17.924   91.904   11.366  118.808   11.133  116.260   7.2141 2.547905 13.26613 
1 1 1  -11   12   45 o   76.262   7.8270   39.673   7.7765   30.911   10.390   50.831   11.725   66.212   12.023   86.311   10.025 -20.09879 15.65407 
1 1 1  -11   12   46 o  149.792   5.9090  156.325   11.651  171.501   15.266  135.150   18.032  158.807   7.0939  140.778   9.4521 18.02884 11.81800 
1 1 1  -11   12   47 o  184.697   5.6436  223.133   13.715  196.952   17.093  270.455   22.981  170.144   7.4136  199.251   8.5110 -29.10757 11.28713 
1 1 1  -11   12   48 o  125.145   5.3284  105.717   8.9832  114.337   13.630   99.097   11.945  129.602   7.7605  120.688   7.3034 8.914307 10.65672 
1 1 1  -11   12   49 o   80.846   8.5503   43.858   9.0645   41.275   11.318   48.480   15.139   77.693   10.750   83.999   13.299 -6.306091 17.10053 
1 1 1  -11   12   50 o  226.213   6.2700  353.584   18.125  363.480   22.378  334.707   30.905  231.131   7.1446  221.296   10.306 9.834503 12.53999 
1 1 1  -11   12   51 o  260.917   7.2551  463.325   25.652  463.325   25.652   0.0000   0.0000  260.917   7.2551  ?   ?       ?      ? 
1 1 1  -11   12   52 o  204.218   4.9374  284.090   13.640  278.026   19.766  289.602   18.845  202.106   7.2171  206.331   6.7399 -4.224594 9.874844 
1 1 1  -11   12   53 o  198.881   4.9449  268.909   13.292  273.025   19.581  265.391   18.102  200.263   7.2154  197.499   6.7635 2.763153 9.889756 
1 1 1  -11   12   54 o  177.593   6.1101  205.990   13.463  238.217   25.423  193.431   15.871  186.611   10.053  168.575   6.9474 18.03548 12.22020 
1 1 1  -11   12   55 o  175.466   10.504  210.910   24.978  210.910   24.978   0.0000   0.0000  175.466   10.504  ?   ?       ?      ? 
1 1 1  -11   12   56 o  139.835   5.4159  133.633   10.178  130.681   15.322  135.963   13.616  138.391   8.1701  141.279   7.1117 -2.888779 10.83175 
1 1 1  -11   12   57 o  146.423   5.2703  146.752   10.374  141.146   15.516  151.285   13.952  143.820   7.9610  149.026   6.9084 -5.206055 10.54058 
1 1 1  -11   12   58 f  151.596   6.2883  144.026   11.767  189.914   22.939  127.640   13.708  166.389   10.174  136.804   7.3940 29.58479 12.57661 
1 1 1  -11   12   59 o  275.411   7.4157  521.376   27.668  508.385   39.218  534.250   39.041  271.937   10.642  278.885   10.330 -6.947845 14.83142 
1 1 1  -11   12   60 o  227.687   7.3354  356.534   22.609  335.228   31.732  378.504   32.222  220.700   10.610  234.673   10.132 -13.97324 14.67084 
1 1 1  -11   12   61 o  246.259   5.1119  414.971   17.013  381.076   24.107  448.602   24.013  236.138   7.5336  256.380   6.9117 -20.24219 10.22384 
1 1 1  -11   12   62 o  172.559   5.0985  202.799   11.877  211.051   17.721  196.072   16.002  175.686   7.4435  169.432   6.9694 6.254440 10.19698 
1 1 1  -11   12   63 o  190.871   5.0037  248.920   12.908  251.183   18.995  246.978   17.595  191.618   7.3152  190.124   6.8291 1.494141 10.00739 
1 1 1  -11   12   64 o   81.900   8.7808   45.355   9.4105   41.522   11.671   52.477   15.910   77.346   11.135   86.453   13.580 -9.106819 17.56155 
1 1 1  -11   12   65 o  126.200   7.0130  109.771   11.474  108.747   14.262  111.649   19.318  125.745   8.3697  126.656   11.255 -0.9107285 14.02592 
1 1 1  -11   12   66 o  108.458   5.9025   82.143   8.5400   72.301   12.740   90.174   11.509  102.290   9.1905  114.626   7.4090 -12.33624 11.80507 
1 1 1  -11   12   67 o  149.261   6.0787  155.581   12.022  163.398   15.698  144.492   18.696  154.177   7.5134  144.346   9.5578 9.830276 12.15741 
1 1 1  -11   12   68 f   61.368   9.4791   27.513   7.6350   25.192   10.251   30.405   11.442   58.477   13.243   64.259   13.566 -5.781773 18.95825 
1 1 1  -11   12   69 o  143.284   5.1879  141.711   10.039  137.393   14.683  145.502   13.756  141.119   7.6778  145.450   6.9791 -4.330811 10.37575 
1 1 1  -11   12   70 o   89.835   6.2652   54.889   7.5154   70.095   11.542   43.697   9.9022  100.496   8.4753   79.173   9.2293 21.32311 12.53036 
1 1 1  -11   12   71 o   75.937   6.9521   41.199   6.9939   35.897   10.613   45.269   9.2984   71.209   10.999   80.664   8.5064 -9.454796 13.90420 
1 1 1  -11   12   72 o   44.071   10.236   14.294   6.9074   10.386   12.714   15.931   8.2275   41.915   16.034   46.227   12.730 -4.311844 20.47298 
1 1 1  -11   12   73 o   87.104   13.182   55.352   15.559   55.352   15.559   0.0000   0.0000   87.104   13.182  ?   ?       ?      ? 
1 1 1  -11   12   74 o   76.534   9.2719   41.330   9.6161   0.0000   0.0000   41.330   9.6161  ?   ?    76.534   9.2719      ?      ? 
1 1 1  -11   12   75 o   97.076   7.8661   70.375   9.2152   62.016   16.840   73.948   11.010   91.350   13.603  102.803   7.9032 -11.45237 15.73226 
1 1 1  -11   12   76 o   53.801   10.432   21.837   7.3270   25.165   13.589   20.472   8.7001   55.826   16.680   51.777   12.534 4.049900 20.86460 
1 1 1  -11   12   77 o  103.793   8.8345   79.734   12.412   76.896   17.069   82.919   18.082  101.934   12.357  105.652   12.629 -3.718025 17.66897 
1 1 1  -11   12   78 o   74.137   11.428   44.347   11.140   40.441   15.156   48.936   16.430   70.470   16.209   77.805   16.113 -7.335075 22.85548 
1 1 1  -11   12   79 o   88.017   10.371   62.242   11.647   73.050   15.689   48.972   17.385   99.363   11.652   76.671   17.160 22.69250 20.74212 
1 1 1  -11   12   80 o   41.888   11.139   11.545   9.3192   19.187   12.211   0.8870   14.422   48.637   16.001   35.139   15.501 13.49759 22.27782 
1 1 1  -11   12   81 o   43.124   11.515   13.580   9.3638   16.915   12.337   9.0470   14.382   46.068   16.074   40.181   16.494 5.887337 23.03087 
1 1 1  -11   12   82 f   83.391   10.312   53.763   11.246   43.407   14.608   68.832   17.620   72.778   15.297   94.003   13.832 -21.22447 20.62376 
1 1 1  -11   12   83 o   52.961   16.397   23.997   12.975   23.997   12.975   0.0000   0.0000   52.961   16.397  ?   ?       ?      ? 
1 1 1  -11   12   84 o   75.135   14.788   46.377   14.521   46.377   14.521   0.0000   0.0000   75.135   14.788  ?   ?       ?      ? 
1 1 1  -11   12   85 o   64.965   15.869   36.343   13.850   36.343   13.850   0.0000   0.0000   64.965   15.869  ?   ?       ?      ? 
1 1 1  -11   12   86 o   34.651   14.507   6.0115   11.432   6.0115   11.432   0.0000   0.0000   34.651   14.507  ?   ?       ?      ? 
1 1 1  -11   12   87 o   27.663   12.831  -4.9058   11.489  -4.9058   11.489   0.0000   0.0000   27.663   12.831  ?   ?       ?      ? 
1 1 1  -11   13    1 o  285.898   4.9307  554.115   19.079  541.824   26.211  567.964   27.823  282.540   6.8458  289.256   7.0981 -6.716675 9.861465 
1 1 1  -11   13    2 o  256.361   4.7900  445.374   16.616  434.374   22.779  457.883   24.291  252.992   6.6442  259.731   6.9015 -6.739746 9.579962 
1 1 1  -11   13    3 o   92.659   5.4912   58.046   6.8624   55.850   9.1966   60.805   10.308   90.697   7.4826   94.621   8.0390 -3.923370 10.98248 
1 1 1  -11   13    4 o  262.441   4.8198  467.938   17.124  484.276   23.982  450.944   24.458  267.132   6.6248  257.751   7.0024 9.380951 9.639567 
1 1 1  -11   13    5 o  325.041   5.1830  716.051   22.804  693.260   31.353  741.651   33.228  319.566   7.2399  330.515   7.4187 -10.94952 10.36599 
1 1 1  -11   13    6 o  343.643   5.3219  800.283   24.737  872.422   35.765  734.121   34.251  358.477   7.3623  328.809   7.6869 29.66818 10.64387 
1 1 1  -11   13    7 o  256.471   6.1549  432.841   19.296  415.483   22.601  479.517   37.061  247.425   6.7407  265.517   10.300 -18.09253 12.30974 
1 1 1  -11   13    8 o   96.078   7.3920   55.632   8.3263   49.512   9.4113   77.677   17.863   85.381   8.1340  106.775   12.345 -21.39500 14.78391 
1 1 1  -11   13    9 o  241.365   4.7602  395.198   15.555  391.333   21.483  399.456   22.551  240.133   6.6018  242.597   6.8595 -2.464111 9.520329 
1 1 1  -11   13   10 f  291.717   4.9944  577.659   19.734  577.700   27.489  577.616   28.348  291.736   6.9533  291.698   7.1713 0.3759766E-01 9.988776 
1 1 1  -11   13   11 o  269.461   6.0142  503.437   21.219  538.412   27.305  450.113   33.714  281.625   7.1546  257.297   9.6693 24.32733 12.02841 
1 1 1  -11   13   12 o  236.161   5.3179  383.224   15.025  388.505   17.593  368.989   28.886  239.323   5.4245  232.999   9.1484 6.324066 10.63575 
1 1 1  -11   13   13 o  148.785   5.2775  153.737   9.4797  158.118   11.203  142.690   17.790  152.677   5.4146  144.894   9.0604 7.783539 10.55502 
1 1 1  -11   13   14 o  293.334   5.5749  569.927   19.425  555.031   22.434  614.542   38.826  286.026   5.7879  300.642   9.5299 -14.61569 11.14985 
1 1 1  -11   13   15 o  355.712   6.1373  860.801   25.964  861.870   30.204  857.777   50.816  356.383   6.2541  355.040   10.562 1.342468 12.27461 
1 1 1  -11   13   16 o  260.878   5.4309  462.539   17.018  462.939   19.904  461.454   32.810  261.226   5.6227  260.529   9.2932 0.6976929 10.86182 
1 1 1  -11   13   17 o   94.354   6.0533   63.947   6.9878   69.564   8.4784   52.051   12.339  101.248   6.1794   87.460   10.411 13.78828 12.10666 
1 1 1  -11   13   18 o  124.502   5.3672  105.452   8.2835  105.718   9.8944  104.827   15.146  124.824   5.8493  124.180   9.0006 0.6442261 10.73432 
1 1 1  -11   13   19 o   92.922   6.8703   58.803   8.5947   50.369   11.985   67.732   12.332   86.033   10.280   99.812   9.1173 -13.77856 13.74053 
1 1 1  -11   13   20 o  127.552   5.7106  108.653   9.6868  101.417   12.385  120.056   15.547  122.200   7.4787  132.905   8.6321 -10.70454 11.42120 
1 1 1  -11   13   21 o  202.904   5.1153  271.779   12.732  261.840   14.958  297.912   24.256  196.449   5.6189  209.360   8.5494 -12.91064 10.23056 
1 1 1  -11   13   22 f  262.764   5.9412  474.309   20.537  491.814   26.350  447.219   32.779  269.112   7.2253  256.417   9.4334 12.69492 11.88249 
1 1 1  -11   13   23 o  345.486   6.0253  799.138   24.918  785.671   28.964  837.489   48.879  340.223   6.2822  350.749   10.284 -10.52576 12.05063 
1 1 1  -11   13   24 o  195.742   5.2333  259.576   12.588  258.649   14.919  261.868   23.450  195.239   5.6390  196.246   8.8178 -1.007263 10.46668 
1 1 1  -11   13   25 o  295.703   5.6723  591.359   20.305  587.862   23.820  600.652   38.832  294.308   5.9726  297.098   9.6452 -2.789917 11.34464 
1 1 1  -11   13   26 o  224.621   5.3733  347.675   14.743  354.329   17.507  331.449   27.338  228.506   5.6536  220.735   9.1392 7.770493 10.74655 
1 1 1  -11   13   27 o  247.223   5.3967  413.229   16.212  410.649   19.061  419.977   30.822  245.988   5.7182  248.458   9.1542 -2.469818 10.79339 
1 1 1  -11   13   28 o  253.474   5.4981  441.701   16.897  448.173   19.946  425.250   31.797  256.975   5.7276  249.973   9.3867 7.002396 10.99620 
1 1 1  -11   13   29 o  244.534   5.7141  405.843   18.935  405.843   18.935   0.0000   0.0000  244.534   5.7141  ?   ?       ?      ? 
1 1 1  -11   13   30 o  256.628   5.7698  447.015   20.065  447.015   20.065   0.0000   0.0000  256.628   5.7698  ?   ?       ?      ? 
1 1 1  -11   13   31 o  166.792   5.3065  191.656   11.001  195.746   13.233  182.501   19.796  169.818   5.7501  163.766   8.9202 6.051453 10.61292 
1 1 1  -11   13   32 o  200.382   5.2455  272.155   12.963  271.116   15.402  274.680   24.002  199.853   5.6870  200.910   8.8159 -1.056824 10.49104 
1 1 1  -11   13   33 o  185.596   5.8077  238.684   14.268  260.133   18.832  209.780   21.862  195.658   7.1027  175.534   9.1906 20.12361 11.61530 
1 1 1  -11   13   34 o  183.903   5.2526  231.134   11.998  233.026   14.375  226.788   21.787  185.271   5.7254  182.535   8.8079 2.736420 10.50523 
1 1 1  -11   13   35 o   68.737   7.8573   34.947   6.6186   40.331   8.3806   26.023   10.789   77.002   8.0314   60.472   13.507 16.52940 15.71450 
1 1 1  -11   13   36 o   85.687   6.0341   49.712   6.9575   52.103   10.580   47.890   9.2355   87.475   8.9251   83.899   8.1231 3.575966 12.06824 
1 1 1  -11   13   37 o  162.869   4.7837  179.684   10.536  188.916   15.529  171.809   14.342  166.726   6.8731  159.013   6.6556 7.713028 9.567446 
1 1 1  -11   13   38 o  151.102   4.8819  155.391   9.9673  152.255   14.580  158.143   13.657  149.649   7.1896  152.555   6.6061 -2.906097 9.763721 
1 1 1  -11   13   39 o  247.346   4.8768  415.473   16.335  425.875   23.650  405.985   22.587  250.295   6.9727  244.397   6.8201 5.897583 9.753560 
1 1 1  -11   13   40 o  137.574   6.9528  128.629   12.827  132.332   19.734  125.920   16.878  139.222   10.460  135.927   9.1629 3.294968 13.90556 
1 1 1  -11   13   41 o   62.318   10.082   29.134   8.5452   17.367   13.560   36.885   11.005   51.176   16.863   73.460   11.055 -22.28375 20.16371 
1 1 1  -11   13   42 o   93.314   6.9728   60.447   8.6634   68.409   11.776   51.054   12.790  100.203   8.6725   86.424   10.921 13.77840 13.94560 
1 1 1  -11   13   43 o   88.554   6.2984   52.705   7.4936   59.236   11.559   47.970   9.8418   93.205   9.1518   83.903   8.6559 9.302460 12.59682 
1 1 1  -11   13   44 o   76.408   7.0047   39.628   7.1605   41.287   11.142   38.461   9.3460   77.722   10.579   75.094   9.1841 2.627426 14.00942 
1 1 1  -11   13   45 o  184.982   5.0614  234.497   12.595  209.593   18.234  257.221   17.417  175.464   7.6684  194.499   6.6081 -19.03438 10.12280 
1 1 1  -11   13   46 o  178.926   5.0737  216.621   12.264  233.978   18.236  202.288   16.572  185.425   7.2574  172.428   7.0923 12.99667 10.14748 
1 1 1  -11   13   47 f   70.434   9.6229   34.625   8.7870   34.097   11.231   35.457   14.109   70.526   11.751   70.342   15.242 0.1846390 19.24586 
1 1 1  -11   13   48 o  134.400   5.3305  123.341   9.6219  120.336   14.515  125.696   12.851  132.889   8.0604  135.912   6.9774 -3.023819 10.66092 
1 1 1  -11   13   49 o  213.107   4.9552  310.428   14.247  284.794   20.504  334.359   19.811  204.509   7.3984  221.704   6.5940 -17.19548 9.910464 
1 1 1  -11   13   50 o  118.654   7.1110   95.707   10.086   97.583   19.675   95.038   11.747  119.175   12.183  118.133   7.3379 1.042656 14.22191 
1 1 1  -11   13   51 o   92.225   8.8912   62.703   9.0321   52.941   17.923   66.026   10.457   86.034   15.960   98.416   7.8408 -12.38201 17.78237 
1 1 1  -11   13   52 o  187.453   6.1989  237.712   14.381  245.602   26.602  234.454   17.094  189.333   10.368  185.572   6.7975 3.761444 12.39782 
1 1 1  -11   13   53 o  121.840   5.6322  101.155   9.1987  102.165   14.113  100.409   12.129  122.308   8.5149  121.372   7.3745 0.9358902 11.26436 
1 1 1  -11   13   54 o  222.663   4.9885  338.629   15.012  325.106   21.768  350.893   20.730  218.358   7.3562  226.967   6.7398 -8.608902 9.976911 
1 1 1  -11   13   55 o  171.658   5.1176  201.702   11.835  193.101   17.490  208.967   16.074  168.201   7.6731  175.115   6.7736 -6.914383 10.23512 
1 1 1  -11   13   56 o  222.910   5.0233  339.230   15.116  335.656   22.315  342.260   20.548  221.755   7.4256  224.065   6.7672 -2.309937 10.04664 
1 1 1  -11   13   57 o  177.241   6.2538  217.228   13.698  210.377   24.977  220.175   16.382  174.807   10.544  179.676   6.7282 -4.869217 12.50764 
1 1 1  -11   13   58 o  109.054   5.8204   80.691   8.5241   86.811   13.134   76.238   11.204  112.540   8.6124  105.569   7.8318 6.970444 11.64088 
1 1 1  -11   13   59 o  177.446   5.0056  215.146   11.993  215.277   17.735  215.035   16.278  177.432   7.3760  177.460   6.7691 -0.2804565E-01 10.01125 
1 1 1  -11   13   60 o   84.031   6.7100   47.751   7.5684   55.677   11.715   42.073   9.9155   89.889   9.6172   78.174   9.3599 11.71533 13.42005 
1 1 1  -11   13   61 o  131.653   5.4267  118.480   9.6218  121.802   14.517  115.879   12.849  133.219   8.0416  130.087   7.2890 3.131607 10.85339 
1 1 1  -11   13   62 o  136.260   6.5852  125.152   11.730  117.345   14.573  139.517   19.767  130.643   8.2315  141.877   10.281 -11.23404 13.17048 
1 1 1  -11   13   63 o   98.955   6.4021   69.361   8.3352   52.505   12.102   84.571   11.496   86.952   10.271  110.957   7.6459 -24.00552 12.80422 
1 1 1  -11   13   64 o   50.640   9.5549   20.633   7.5030   3.1278   13.999   27.688   8.8873   38.227   16.031   63.052   10.401 -24.82527 19.10985 
1 1 1  -11   13   65 o   92.351   13.274   60.650   16.612   60.650   16.612   0.0000   0.0000   92.351   13.274  ?   ?       ?      ? 
1 1 1  -11   13   66 f   39.343   14.008   9.9339   9.4055   9.9339   9.4055   0.0000   0.0000   39.343   14.008  ?   ?       ?      ? 
1 1 1  -11   13   67 o   35.575   9.2461   7.5072   5.9525   4.4074   9.1010   9.8246   7.8691   33.138   13.296   38.012   12.852 -4.873642 18.49219 
1 1 1  -11   13   68 f   38.304   9.5348   9.5997   6.0829   10.261   9.4309   9.1286   7.9600   39.518   14.032   37.090   12.914 2.428005 19.06957 
1 1 1  -11   13   69 o   97.132   6.0096   65.964   7.8642   63.581   11.635   67.968   10.671   95.346   9.0052   98.918   7.9602 -3.572563 12.01913 
1 1 1  -11   13   70 o   51.876   10.289   21.154   7.2929   16.773   13.504   22.958   8.6653   48.139   16.816   55.612   11.860 -7.472958 20.57785 
1 1 1  -11   13   71 o   59.650   10.546   25.614   7.8200   32.682   14.950   22.951   9.1752   64.076   16.955   55.223   12.546 8.852482 21.09163 
1 1 1  -11   13   72 o   29.773   12.237   2.9651   7.9283   0.0000   0.0000   2.9651   7.9283  ?   ?    29.773   12.237      ?      ? 
1 1 1  -11   13   73 o   70.440   9.6469   37.137   8.1338   38.684   15.353   36.533   9.5904   69.350   16.564   71.530   9.8938 -2.179855 19.29370 
1 1 1  -11   13   74 o   73.986   9.7435   48.956   8.5565   24.780   14.877   60.905   10.459   55.029   17.629   92.942   8.3045 -37.91314 19.48705 
1 1 1  -11   13   75 o   92.713   9.1910   64.102   11.505   57.161   15.761   72.020   16.834   87.121   13.350   98.305   12.636 -11.18444 18.38194 
1 1 1  -11   13   76 o   55.335   11.935   25.685   9.9019   29.188   13.209   21.191   14.961   59.654   16.006   51.015   17.707 8.639046 23.86957 
1 1 1  -11   13   77 o   75.383   10.775   46.693   10.661   55.280   14.295   35.933   16.002   85.942   12.274   64.824   17.713 21.11826 21.54990 
1 1 1  -11   13   78 o   76.162   10.899   46.600   10.822   41.566   14.504   52.922   16.256   71.429   15.435   80.894   15.391 -9.464737 21.79707 
1 1 1  -11   13   79 o   67.985   11.521   37.926   10.472   30.744   13.836   47.559   16.024   60.244   16.474   75.727   16.110 -15.48365 23.04153 
1 1 1  -11   13   80 o   35.294   10.615   1.0889   9.2230  -7.5721   12.149   12.868   14.169   27.912   13.029   42.676   16.761 -14.76416 21.22969 
1 1 1  -11   13   81 o   62.886   11.506   32.561   10.410   18.970   13.773   50.674   15.900   47.627   16.952   78.145   15.562 -30.51774 23.01169 
1 1 1  -11   13   82 o   40.023   15.667   11.303   12.344   11.303   12.344   0.0000   0.0000   40.023   15.667  ?   ?       ?      ? 
1 1 1  -11   13   83 o   50.437   16.120   22.252   12.446   22.252   12.446   0.0000   0.0000   50.437   16.120  ?   ?       ?      ? 
1 1 1  -11   13   85 o   20.868   10.344 -21.3657   11.034 -21.3657   11.034   0.0000   0.0000   20.868   10.344  ?   ?       ?      ? 
1 1 1  -11   13   86 o   51.350   16.750   25.108   13.392   25.108   13.392   0.0000   0.0000   51.350   16.750  ?   ?       ?      ? 
1 1 1  -11   14    1 o  118.409   6.8398   95.054   9.3727   94.719   10.744   96.124   19.174  118.108   6.7127  118.709   11.919 -0.6014328 13.67957 
1 1 1  -11   14    2 o  180.864   6.0690  214.813   13.161  206.636   15.240  238.793   26.099  174.463   6.4463  187.265   10.285 -12.80208 12.13799 
1 1 1  -11   14    3 o  176.485   6.1281  211.329   13.023  210.790   15.242  212.785   25.062  176.212   6.3829  176.759   10.463 -0.5476532 12.25619 
1 1 1  -11   14    4 o  105.533   5.2803   75.021   7.5169   69.005   10.061   82.620   11.308  100.789   7.3666  110.277   7.5671 -9.487694 10.56067 
1 1 1  -11   14    5 o  144.914   4.7888  143.155   9.3607  150.075   12.840  135.304   13.676  148.685   6.3726  141.143   7.1500 7.541260 9.577696 
1 1 1  -11   14    6 o  145.151   4.7729  143.080   9.3632  143.352   12.790  142.766   13.744  145.311   6.4953  144.991   6.9952 0.3203125 9.545732 
1 1 1  -11   14    7 o  115.477   5.1734   92.167   7.9518  106.662   10.919   75.801   11.603  125.346   6.4284  105.607   8.1074 19.73834 10.34675 
1 1 1  -11   14    8 o  163.462   4.7604  181.336   10.520  180.083   14.371  182.782   15.442  162.866   6.5116  164.059   6.9459 -1.193436 9.520844 
1 1 1  -11   14    9 o  178.502   4.7238  216.806   11.401  225.967   15.830  206.932   16.434  182.443   6.4027  174.560   6.9473 7.882843 9.447698 
1 1 1  -11   14   10 o  109.096   5.3232   81.055   7.8369   83.264   10.693   78.491   11.519  110.721   7.1269  107.471   7.9091 3.250069 10.64646 
1 1 1  -11   14   11 o  146.827   5.5347  142.460   10.528  133.562   12.920  160.040   18.161  140.245   6.7983  153.409   8.7358 -13.16382 11.06937 
1 1 1  -11   14   12 o  189.876   5.7743  251.177   14.395  275.919   18.789  216.010   22.400  201.568   6.8784  178.184   9.2768 23.38492 11.54866 
1 1 1  -11   14   13 o  122.483   5.3166   96.445   8.0775   89.143   9.4944  115.580   15.370  114.598   6.1138  130.368   8.6999 -15.77058 10.63329 
1 1 1  -11   14   14 o  175.667   6.1412  209.905   14.604  210.915   20.217  208.802   21.118  176.124   8.4705  175.208   8.8943 0.9160156 12.28244 
1 1 1  -11   14   15 o  169.094   5.6717  195.798   12.534  200.032   15.856  188.745   20.464  171.624   6.8177  166.565   9.0660 5.058212 11.34340 
1 1 1  -11   14   16 f  336.863   6.0362  777.523   24.288  784.205   28.376  759.214   46.968  339.882   6.1608  333.844   10.382 6.038300 12.07232 
1 1 1  -11   14   17 o  279.422   6.0845  536.502   22.238  553.249   28.244  509.183   36.073  285.365   7.3036  273.480   9.7335 11.88501 12.16900 
1 1 1  -11   14   18 o  243.460   5.8329  396.178   18.570  378.254   23.145  428.569   31.113  235.958   7.2382  250.962   9.1487 -15.00351 11.66576 
1 1 1  -11   14   19 o   94.317   6.9435   60.232   8.8230   57.590   11.757   63.637   13.349   91.981   9.4325   96.652   10.192 -4.670723 13.88693 
1 1 1  -11   14   20 o  220.736   5.2807  326.883   14.101  321.857   16.498  340.509   27.164  217.770   5.5904  223.703   8.9605 -5.933121 10.56143 
1 1 1  -11   14   21 o  207.654   5.3739  297.870   13.491  303.963   15.922  282.364   25.401  211.629   5.5520  203.679   9.2029 7.950211 10.74789 
1 1 1  -11   14   22 o  265.931   5.5659  480.728   17.803  480.662   20.836  480.906   34.266  266.103   5.7780  265.758   9.5148 0.3448181 11.13181 
1 1 1  -11   14   23 o  243.883   5.4671  406.309   16.166  408.783   19.041  399.923   30.595  245.401   5.7259  242.365   9.3152 3.035461 10.93429 
1 1 1  -11   14   24 o  208.375   5.2542  289.272   13.354  282.010   15.670  308.538   25.523  203.827   5.6732  212.922   8.8455 -9.095367 10.50845 
1 1 1  -11   14   25 o  116.407   6.3933   92.030   10.085   92.030   10.085   0.0000   0.0000  116.407   6.3933  ?   ?       ?      ? 
1 1 1  -11   14   26 o  210.614   5.6909  301.129   16.242  301.129   16.242   0.0000   0.0000  210.614   5.6909  ?   ?       ?      ? 
1 1 1  -11   14   27 o  276.236   5.6841  526.616   18.986  536.229   22.398  502.078   35.786  281.028   5.8813  271.444   9.7287 9.583130 11.36821 
1 1 1  -11   14   28 o  235.095   5.4337  376.489   15.479  377.295   18.207  374.387   29.398  235.740   5.6994  234.450   9.2530 1.290268 10.86738 
1 1 1  -11   14   29 o   98.344   6.3601   66.876   7.8594   68.674   9.5512   63.105   13.831  100.520   7.0117   96.168   10.613 4.352325 12.72030 
1 1 1  -11   14   30 f  245.884   6.0158  420.687   19.460  458.337   25.404  367.216   30.274  259.653   7.2197  232.115   9.6246 27.53867 12.03155 
1 1 1  -11   14   31 o  257.402   5.5987  456.181   17.504  463.225   20.691  438.454   32.824  261.177   5.8461  253.627   9.5502 7.550247 11.19748 
1 1 1  -11   14   32 o  170.870   5.3321  191.538   11.359  181.450   13.459  216.504   21.174  163.443   6.0767  178.297   8.7635 -14.85411 10.66419 
1 1 1  -11   14   33 o  146.886   5.9629  149.867   11.434  159.384   14.626  134.909   18.337  153.112   7.0490  140.661   9.6197 12.45102 11.92586 
1 1 1  -11   14   34 o  203.220   5.6358  274.209   14.916  257.714   18.436  305.466   25.378  194.693   6.9878  211.747   8.8443 -17.05417 11.27166 
1 1 1  -11   14   35 o  145.315   5.9484  145.014   11.361  149.034   14.518  138.662   18.247  148.031   7.2371  142.600   9.4424 5.431183 11.89685 
1 1 1  -11   14   36 o  246.394   6.0174  425.914   19.281  466.976   24.807  363.265   30.642  262.056   6.9855  230.732   9.7999 31.32379 12.03474 
1 1 1  -11   14   37 o  187.372   5.9561  241.778   14.815  253.879   19.400  224.848   22.947  193.171   7.4110  181.573   9.3260 11.59737 11.91211 
1 1 1  -11   14   38 f  117.280   6.6235   94.224   10.437   97.221   14.011   90.489   15.643  119.441   8.6561  115.119   10.028 4.322105 13.24700 
1 1 1  -11   14   39 o  181.249   5.4704  224.849   12.396  226.817   14.930  220.480   22.243  182.700   6.0304  179.797   9.1289 2.902832 10.94086 
1 1 1  -11   14   40 o  118.187   5.7061   93.991   9.0763  105.298   13.862   85.504   12.009  124.322   8.2279  112.052   7.9084 12.26942 11.41230 
1 1 1  -11   14   41 o  218.321   4.9513  322.424   14.604  348.731   21.714  300.698   19.733  226.396   7.0777  210.245   6.9259 16.15036 9.902638 
1 1 1  -11   14   42 o  207.337   4.9636  290.954   13.889  308.919   20.812  276.530   18.649  213.053   7.2084  201.621   6.8256 11.43243 9.927284 
1 1 1  -11   14   43 o   64.919   10.412   28.827   9.1600   0.0000   0.0000   28.827   9.1600  ?   ?    64.919   10.412      ?      ? 
1 1 1  -11   14   44 o   90.614   8.0700   58.147   9.5144   64.914   12.344   48.244   14.933   97.497   9.3432   83.730   13.161 13.76708 16.13992 
1 1 1  -11   14   45 o   51.838   9.6332   19.392   6.7605   17.487   10.974   20.558   8.5824   49.996   15.002   53.679   12.089 -3.682716 19.26637 
1 1 1  -11   14   46 o  127.721   6.7962  110.706   10.558  113.374   20.058  109.683   12.418  128.531   11.516  126.911   7.2203 1.620003 13.59235 
1 1 1  -11   14   47 o  155.546   6.5303  168.314   12.379  158.447   22.940  172.367   14.703  151.969   11.139  159.122   6.8187 -7.153229 13.06057 
1 1 1  -11   14   48 o  175.382   5.1749  210.346   12.192  203.501   18.332  215.774   16.325  172.742   7.8312  178.021   6.7670 -5.278381 10.34986 
1 1 1  -11   14   49 o  159.842   5.1834  171.604   11.138  195.449   17.117  154.093   14.668  169.315   7.4602  150.370   7.1984 18.94432 10.36687 
1 1 1  -11   14   50 o  238.628   5.0364  387.047   16.241  402.065   24.055  374.467   22.016  242.831   7.3099  234.424   6.9303 8.407913 10.07290 
1 1 1  -11   14   51 o  185.901   7.5081  235.820   18.914  235.820   18.914   0.0000   0.0000  185.901   7.5081  ?   ?       ?      ? 
1 1 1  -11   14   52 o  200.467   5.0315  274.618   13.616  268.347   20.029  280.005   18.565  198.270   7.4546  202.665   6.7597 -4.394318 10.06307 
1 1 1  -11   14   53 o  160.301   5.1474  175.203   11.119  177.665   16.678  173.233   14.919  161.253   7.6324  159.349   6.9087 1.904205 10.29481 
1 1 1  -11   14   54 o   98.935   7.2748   61.672   8.9623   82.422   17.216   53.958   10.497  109.153   11.639   88.716   8.7312 20.43694 14.54970 
1 1 1  -11   14   55 o   69.151   7.8470   32.443   7.2639   37.097   11.410   29.272   9.4193   73.190   11.504   65.112   10.675 8.078125 15.69394 
1 1 1  -11   14   56 o   91.940   6.3602   59.319   7.7295   51.184   11.796   65.441   10.232   86.127   10.107   97.754   7.7244 -11.62630 12.72038 
1 1 1  -11   14   57 o   81.743   6.8388   46.049   7.4678   46.380   11.589   45.814   9.7653   81.873   10.446   81.613   8.8297 0.2595596 13.67759 
1 1 1  -11   14   58 o  151.558   5.2352  157.818   10.699  153.077   15.801  161.833   14.538  149.355   7.8069  153.762   6.9772 -4.407639 10.47035 
1 1 1  -11   14   59 o   90.698   6.7840   58.947   8.0233   43.967   11.909   71.398   10.857   79.458   11.060  101.939   7.8596 -22.48141 13.56804 
1 1 1  -11   14   60 o  115.390   7.0447   85.998   10.620   67.667   13.106  121.057   18.124   98.774   9.7911  132.007   10.132 -33.23251 14.08947 
1 1 1  -11   14   61 o   96.501   6.1785   64.157   8.0097   66.096   12.230   62.701   10.599   97.658   9.2410   95.343   8.2037 2.314934 12.35705 
1 1 1  -11   14   62 o   86.375   7.5598   52.421   8.7542   53.700   11.658   50.767   13.255   87.809   9.7975   84.940   11.516 2.869545 15.11966 
1 1 1  -11   14   63 o   71.797   8.1846   36.009   7.9105   33.087   10.476   39.885   12.066   68.518   11.282   75.076   11.860 -6.557961 16.36927 
1 1 1  -11   14   64 o   43.189   14.309   13.163   9.7589   13.163   9.7589   0.0000   0.0000   43.189   14.309  ?   ?       ?      ? 
1 1 1  -11   14   65 o   81.636   6.7957   47.551   7.3418   41.674   11.206   51.971   9.7180   76.789   10.769   86.483   8.2921 -9.693298 13.59141 
1 1 1  -11   14   66 o   83.869   6.4997   49.516   7.2997   47.566   11.074   51.014   9.7073   82.166   9.9453   85.571   8.3712 -3.404747 12.99945 
1 1 1  -11   14   67 o   83.080   6.5892   48.782   7.3325   46.712   11.099   50.386   9.7678   81.250   10.080   84.910   8.4890 -3.659874 13.17842 
1 1 1  -11   14   68 o   62.311   9.8079   25.173   7.4367   42.612   14.550   19.008   8.6521   74.469   14.938   50.153   12.713 24.31546 19.61574 
1 1 1  -11   14   69 o   52.679   12.306   20.964   8.6264   0.0000   0.0000   20.964   8.6264  ?   ?    52.679   12.306      ?      ? 
1 1 1  -11   14   70 o   40.316   13.129   11.958   8.2285   0.0000   0.0000   11.958   8.2285  ?   ?    40.316   13.129      ?      ? 
1 1 1  -11   14   71 o   64.463   10.483   31.651   10.219   10.916   13.927   55.835   15.041   42.212   16.605   86.714   12.800 -44.50188 20.96581 
1 1 1  -11   14   72 o   53.244   11.097   21.692   9.3943   9.3443   12.967   35.333   13.629   40.095   15.943   66.394   15.440 -26.29881 22.19378 
1 1 1  -11   14   73 o   60.036   9.1763   24.565   10.027   59.836   14.418  -8.4793   13.955   89.941   11.829   30.131   14.032 59.81021 18.35254 
1 1 1  -11   14   74 o   99.695   9.0081   74.771   12.143   73.507   16.590   76.231   17.823   99.085   12.355  100.304   13.112 -1.219109 18.01627 
1 1 1  -11   14   75 o   97.356   9.2589   72.450   12.130   76.245   16.577   68.076   17.796  100.874   12.127   93.838   13.995 7.035728 18.51776 
1 1 1  -11   14   76 o   56.895   9.6683   24.118   9.9369   50.274   13.817  -3.9042   14.301   81.472   12.515   32.319   14.741 49.15297 19.33664 
1 1 1  -11   14   77 o   48.020   11.411   18.232   9.6813   28.515   13.249   6.4500   14.182   58.006   16.221   38.033   16.052 19.97295 22.82110 
1 1 1  -11   14   78 o   61.107   11.960   32.165   10.225   28.920   13.821   36.090   15.199   57.828   16.702   64.387   17.122 -6.559208 23.91908 
1 1 1  -11   14   79 o   40.579   11.391   11.221   9.4613   14.177   12.691   7.5225   14.196   42.817   16.104   38.341   16.115 4.476692 22.78164 
1 1 1  -11   14   81 f   27.164   12.710  -6.8666   11.671  -6.8666   11.671   0.0000   0.0000   27.164   12.710  ?   ?       ?      ? 
1 1 1  -11   14   82 o   43.677   16.068   16.286   12.503   16.286   12.503   0.0000   0.0000   43.677   16.068  ?   ?       ?      ? 
1 1 1  -11   14   83 o   41.066   15.866   13.915   12.533   13.915   12.533   0.0000   0.0000   41.066   15.866  ?   ?       ?      ? 
1 1 1  -11   14   84 o   28.824   13.247  -2.5797   11.845  -2.5797   11.845   0.0000   0.0000   28.824   13.247  ?   ?       ?      ? 
1 1 1  -11   15    1 o  154.893   4.9188  162.564   10.304  156.130   14.038  170.077   15.170  151.588   6.8339  158.199   7.0764 -6.610321 9.837570 
1 1 1  -11   15    2 o  184.202   5.5891  234.824   13.615  209.227   21.027  253.304   17.867  175.320   8.8504  193.085   6.8282 -17.76486 11.17830 
1 1 1  -11   15    3 o  158.304   5.5420  171.746   11.671  162.953   18.075  178.033   15.285  154.742   8.6197  161.865   6.9684 -7.123856 11.08407 
1 1 1  -11   15    4 o   76.745   7.0114   39.896   7.1676   50.969   10.607   30.592   9.7232   86.523   9.0467   66.968   10.714 19.55565 14.02276 
1 1 1  -11   15    5 o   70.971   7.2707   34.400   6.9793   32.357   9.9483   36.380   9.7941   68.876   10.659   73.065   9.8916 -4.189560 14.54131 
1 1 1  -11   15    6 o   71.822   7.2316   35.286   7.0127   33.213   10.159   37.173   9.6924   69.777   10.744   73.866   9.6828 -4.089661 14.46318 
1 1 1  -11   15    7 o   73.164   7.2253   36.742   7.1138   33.196   10.330   39.941   9.8108   69.750   10.929   76.577   9.4542 -6.826263 14.45060 
1 1 1  -11   15    8 o  152.478   6.2865  158.196   12.929  157.560   17.443  158.971   19.259  152.172   8.4589  152.784   9.3021 -0.6125183 12.57301 
1 1 1  -11   15    9 o  197.696   5.5196  263.642   14.538  277.101   22.996  254.683   18.763  201.808   8.4088  193.583   7.1523 8.224258 11.03920 
1 1 1  -11   15   10 o  149.691   5.8193  157.128   11.428  127.539   17.413  179.513   15.146  136.840   9.3904  162.541   6.8761 -25.70139 11.63870 
1 1 1  -11   15   11 o   97.971   6.4650   65.253   8.5147   66.189   12.923   64.536   11.319   98.562   9.6754   97.381   8.5773 1.181023 12.92995 
1 1 1  -11   15   12 o  269.258   5.8930  484.363   20.255  467.625   24.594  519.657   35.712  262.332   6.9182  276.185   9.5419 -13.85373 11.78599 
1 1 1  -11   15   13 o  165.989   6.8036  187.368   15.228  191.267   22.795  184.225   20.465  167.505   10.042  164.473   9.1818 3.031082 13.60717 
1 1 1  -11   15   14 o  144.323   6.9483  141.376   13.529  147.889   20.282  136.155   18.158  147.276   10.163  141.370   9.4784 5.905655 13.89668 
1 1 1  -11   15   15 f  118.202   9.6014   95.204   15.380   0.0000   0.0000   95.204   15.380  ?   ?   118.202   9.6014      ?      ? 
1 1 1  -11   15   16 o  156.882   5.7199  169.574   11.526  174.442   14.306  160.568   19.457  160.238   6.5882  153.526   9.3523 6.712799 11.43984 
1 1 1  -11   15   17 o  238.457   5.7817  387.821   17.730  389.881   21.896  383.899   30.212  239.537   6.7455  237.376   9.3921 2.160767 11.56346 
1 1 1  -11   15   18 o  238.489   5.7347  380.101   17.558  366.278   21.436  408.284   30.609  232.163   6.8135  244.816   9.2262 -12.65314 11.46937 
1 1 1  -11   15   19 o  215.542   5.7177  319.537   15.887  327.703   19.781  304.695   26.667  219.609   6.6468  211.474   9.3053 8.135574 11.43539 
1 1 1  -11   15   20 o  201.417   5.6426  271.495   14.685  261.596   18.057  290.835   25.238  196.197   6.7914  206.637   9.0129 -10.43994 11.28517 
1 1 1  -11   15   21 o  319.730   7.3910  695.143   32.023  695.143   32.023   0.0000   0.0000  319.730   7.3910  ?   ?       ?      ? 
1 1 1  -11   15   22 o  230.595   6.7847  361.396   21.201  361.396   21.201   0.0000   0.0000  230.595   6.7847  ?   ?       ?      ? 
1 1 1  -11   15   23 o  131.521   6.0458  119.986   10.229  125.309   12.776  110.479   17.073  135.771   6.9437  127.271   9.8992 8.500107 12.09169 
1 1 1  -11   15   24 o   63.531   8.3709   26.808   6.9378   20.192   8.8714   37.226   11.132   53.253   12.506   73.809   11.130 -20.55609 16.74172 
1 1 1  -11   15   25 o  144.160   5.9325  146.117   11.063  160.077   14.135  124.046   17.773  153.458   6.7969  134.861   9.7252 18.59651 11.86491 
1 1 1  -11   15   26 o  225.593   5.4329  343.832   14.987  340.648   17.683  351.953   28.242  223.952   5.8266  227.235   9.1715 -3.283112 10.86574 
1 1 1  -11   15   27 o  229.073   5.5030  358.683   15.389  360.778   18.205  353.440   28.804  230.469   5.8289  227.678   9.3357 2.791214 11.00601 
1 1 1  -11   15   28 o  176.814   5.4918  213.311   11.945  214.073   14.195  211.461   22.108  177.521   5.9006  176.106   9.2639 1.414871 10.98354 
1 1 1  -11   15   29 o  252.517   5.6280  435.007   17.249  436.160   20.314  432.027   32.656  253.384   5.9161  251.650   9.5760 1.734268 11.25607 
1 1 1  -11   15   30 o  289.603   5.8478  581.038   20.534  593.830   24.292  549.019   38.432  295.630   6.0637  283.577   10.001 12.05273 11.69555 
1 1 1  -11   15   31 o   91.807   6.5308   54.544   7.7406   48.550   9.3977   67.191   13.650   84.427   8.2140   99.186   10.156 -14.75838 13.06162 
1 1 1  -11   15   32 f   46.179   9.1495   15.694   6.6664   23.068   8.3972   3.1260   10.963   57.092   11.254   35.266   14.430 21.82584 18.29908 
1 1 1  -11   15   33 o   87.764   7.1344   51.199   8.1583   47.775   10.080   57.704   13.892   83.704   8.8861   91.824   11.164 -8.120132 14.26887 
1 1 1  -11   15   34 o  133.184   6.6875  123.868   11.787  145.182   16.078   99.107   17.329  145.984   8.1274  120.385   10.622 25.59907 13.37505 
1 1 1  -11   15   35 o  115.923   6.7169   90.253   10.456   76.018   13.879  108.936   15.899  105.505   9.7070  126.341   9.2866 -20.83607 13.43381 
1 1 1  -11   15   36 o   60.085   9.4053   25.256   7.2478   23.771   9.0890   27.849   12.011   57.835   11.991   62.336   14.494 -4.501354 18.81055 
1 1 1  -11   15   37 o  148.662   5.7187  150.106   10.717  149.251   12.950  151.963   19.093  148.147   6.4505  149.177   9.4448 -1.030121 11.43738 
1 1 1  -11   15   38 o  246.189   5.6386  408.945   16.957  403.705   19.977  422.451   32.074  243.693   6.0494  248.686   9.5173 -4.992920 11.27718 
1 1 1  -11   15   39 o  216.949   5.6287  321.578   15.179  322.805   18.177  318.750   27.589  217.888   6.1562  216.009   9.4249 1.879257 11.25731 
1 1 1  -11   15   40 o  147.493   8.1138  148.327   16.217  148.327   16.217   0.0000   0.0000  147.493   8.1138  ?   ?       ?      ? 
1 1 1  -11   15   41 o   92.855   10.272   59.030   12.926   59.030   12.926   0.0000   0.0000   92.855   10.272  ?   ?       ?      ? 
1 1 1  -11   15   42 o   58.836   10.574   24.895   8.5006   20.967   11.983   28.874   12.061   54.278   15.514   63.394   14.371 -9.115417 21.14769 
1 1 1  -11   15   43 o  139.695   5.8555  134.088   10.388  135.807   12.697  130.607   18.067  141.241   6.6338  138.148   9.6509 3.092804 11.71093 
1 1 1  -11   15   44 o  195.741   5.9275  262.137   15.291  263.754   19.514  259.565   24.612  196.706   7.3207  194.776   9.3247 1.930878 11.85505 
1 1 1  -11   15   45 o  157.346   5.2218  170.466   11.019  153.255   16.243  185.142   14.999  149.829   7.9999  164.863   6.7135 -15.03427 10.44358 
1 1 1  -11   15   46 o   86.041   6.8191   50.785   7.7782   50.536   12.330   50.950   10.024   85.762   10.610   86.321   8.5695 -0.5590057 13.63821 
1 1 1  -11   15   47 f  170.591   5.1145  198.424   11.755  199.677   17.619  197.420   15.781  171.014   7.6026  170.167   6.8436 0.8467102 10.22910 
1 1 1  -11   15   48 o  157.916   5.1794  170.090   11.015  171.632   16.558  168.865   14.752  158.493   7.7091  157.338   6.9191 1.155716 10.35874 
1 1 1  -11   15   49 o  114.897   5.7222   88.737   8.8181  101.765   13.725   79.578   11.508  121.922   8.3069  107.872   7.8722 14.05035 11.44448 
1 1 1  -11   15   50 o   88.687   6.5185   53.168   7.7367   59.341   12.148   48.957   10.035   92.891   9.6506   84.482   8.7652 8.409012 13.03697 
1 1 1  -11   15   51 o  127.375   6.7448  115.095   10.519  103.295   19.062  120.261   12.613  122.085   11.522  132.665   7.0157 -10.57952 13.48963 
1 1 1  -11   15   52 o  101.033   7.4263   69.624   9.1677   72.785   17.347   68.398   10.799  102.178   12.528   99.889   7.9778 2.289139 14.85264 
1 1 1  -11   15   53 o   56.285   9.3168   23.168   6.8833   22.063   10.904   23.901   8.8754   54.944   14.451   57.625   11.764 -2.681023 18.63358 
1 1 1  -11   15   54 o  116.059   5.7195   91.588   8.9045   99.007   13.796   86.291   11.658  119.966   8.4860  112.152   7.6708 7.814278 11.43908 
1 1 1  -11   15   55 o  124.154   5.7925  108.719   9.4923   88.095   14.156  125.569   12.795  112.925   9.2504  135.383   6.9743 -22.45751 11.58499 
1 1 1  -11   15   56 o  159.575   5.2229  176.257   11.195  160.286   16.453  190.026   15.277  152.620   7.9553  166.530   6.7696 -13.91010 10.44575 
1 1 1  -11   15   57 o  101.944   7.6336   73.165   10.168   74.896   12.885   70.309   16.551  103.987   9.1440   99.901   12.226 4.085999 15.26717 
1 1 1  -11   15   58 o  104.640   7.1020   77.596   9.8419   83.906   12.985   69.076   15.088  110.090   8.7037   99.190   11.225 10.90002 14.20391 
1 1 1  -11   15   59 o   61.542   9.8431   27.903   8.0097   24.334   10.832   32.208   11.898   57.123   14.082   65.960   13.756 -8.837078 19.68628 
1 1 1  -11   15   60 o   81.624   8.5451   49.200   8.9143   57.518   12.029   39.068   13.277   90.692   9.7876   72.557   14.010 18.13452 17.09029 
1 1 1  -11   15   61 o  148.761   5.2738  151.082   10.551  168.341   16.186  138.329   13.913  155.979   7.6576  141.544   7.2536 14.43495 10.54768 
1 1 1  -11   15   62 o  106.862   5.9089   79.144   8.4554   81.669   13.079   77.331   11.083  108.120   8.9265  105.604   7.7445 2.516205 11.81777 
1 1 1  -11   15   63 o   53.091   8.8894   19.860   6.4318   31.221   10.130   12.186   8.3253   65.106   11.920   41.076   13.191 24.03013 17.77887 
1 1 1  -11   15   64 o   90.616   6.2517   57.411   7.6245   59.275   11.545   55.969   10.154   91.757   9.2851   89.476   8.3739 2.280701 12.50346 
1 1 1  -11   15   65 o  108.054   7.5815   86.351   9.9089   76.612   18.110   90.512   11.838  102.153   13.082  113.956   7.6658 -11.80319 15.16295 
1 1 1  -11   15   66 o  109.595   7.9393   84.074   11.791   0.0000   0.0000   84.074   11.791  ?   ?   109.595   7.9393      ?      ? 
1 1 1  -11   15   67 o   49.300   12.892   18.642   8.7108   0.0000   0.0000   18.642   8.7108  ?   ?    49.300   12.892      ?      ? 
1 1 1  -11   15   68 o   58.770   10.186   22.680   7.5575   41.447   14.531   15.721   8.8483   72.337   15.301   45.203   13.450 27.13320 20.37211 
1 1 1  -11   15   69 o   66.223   9.9394   35.960   8.1599   28.464   14.667   39.319   9.8197   58.468   17.298   73.977   9.7953 -15.50889 19.87879 
1 1 1  -11   15   70 o   67.435   11.377   37.205   10.274   33.739   14.459   40.738   14.600   63.834   16.570   71.037   15.594 -7.203236 22.75393 
1 1 1  -11   15   71 o   51.979   11.481   21.448   9.5128   12.025   13.176   31.708   13.749   42.092   16.266   61.866   16.206 -19.77458 22.96107 
1 1 1  -11   15   72 o   57.736   12.029   28.250   10.069   25.898   14.046   30.737   14.442   55.296   17.050   60.177   16.974 -4.881413 24.05877 
1 1 1  -11   15   73 f   48.097   11.926   18.884   9.6099   18.491   13.507   19.286   13.676   47.707   16.808   48.486   16.924 -0.7793999 23.85211 
1 1 1  -11   15   74 f   84.948   9.8840   56.904   11.079   58.322   15.170   55.282   16.218   87.313   12.821   82.583   15.047 4.730003 19.76797 
1 1 1  -11   15   75 o   27.645   12.901  -7.3217   11.898  -7.3217   11.898   0.0000   0.0000   27.645   12.901  ?   ?       ?      ? 
1 1 1  -11   15   77 o   26.014   12.291  -8.9745   11.394  -8.9745   11.394   0.0000   0.0000   26.014   12.291  ?   ?       ?      ? 
1 1 1  -11   15   78 o   29.669   13.383  -1.4900   11.397  -1.4900   11.397   0.0000   0.0000   29.669   13.383  ?   ?       ?      ? 
1 1 1  -11   15   79 o   46.065   16.171   18.646   12.495   18.646   12.495   0.0000   0.0000   46.065   16.171  ?   ?       ?      ? 
1 1 1  -11   15   80 o   35.556   14.987   7.0103   12.337   7.0103   12.337   0.0000   0.0000   35.556   14.987  ?   ?       ?      ? 
1 1 1  -11   15   81 o   39.234   15.629   12.191   12.483   12.191   12.483   0.0000   0.0000   39.234   15.629  ?   ?       ?      ? 
1 1 1  -11   15   82 o   50.465   16.608   24.906   13.156   24.906   13.156   0.0000   0.0000   50.465   16.608  ?   ?       ?      ? 
1 1 1  -11   16    1 o  104.638   5.7992   75.633   8.0994   83.865   10.971   65.772   12.008  111.040   7.2908   98.236   9.0203 12.80441 11.59833 
1 1 1  -11   16    2 o  152.354   5.1051  158.115   10.493  160.696   14.252  155.059   15.506  153.743   6.8408  150.964   7.5797 2.778290 10.21022 
1 1 1  -11   16    3 o  261.470   6.0558  470.555   20.291  481.232   25.083  450.341   34.513  266.039   6.9575  256.900   9.9137 9.139252 12.11153 
1 1 1  -11   16    4 o  160.589   5.7965  176.972   12.412  167.107   19.047  184.253   16.364  156.592   8.9758  164.586   7.3370 -7.994339 11.59296 
1 1 1  -11   16    5 o  112.288   5.5556   86.036   8.4151   88.495   11.467   83.167   12.388  114.058   7.4187  110.519   8.2716 3.539902 11.11114 
1 1 1  -11   16    6 o  110.360   5.5822   81.397   8.2655   68.220   10.931   98.990   12.631  100.108   8.0577  120.612   7.7277 -20.50370 11.16440 
1 1 1  -11   16    7 o  167.014   6.4379  189.350   13.560  192.249   24.157  188.016   16.385  167.765   10.626  166.264   7.2720 1.501556 12.87578 
1 1 1  -11   16    8 o  245.234   6.2754  405.501   19.569  422.203   34.528  397.598   23.751  248.686   10.246  241.783   7.2490 6.902176 12.55077 
1 1 1  -11   16    9 o  154.955   6.7059  168.958   13.019  149.474   22.606  178.627   15.925  147.850   11.283  162.060   7.2512 -14.20963 13.41187 
1 1 1  -11   16   10 o  104.818   5.7496   75.547   8.0840   82.996   11.066   67.024   11.838  110.457   7.3931   99.180   8.8077 11.27721 11.49929 
1 1 1  -11   16   11 o  127.231   5.3846  108.867   9.2296   97.261   12.299  123.830   13.965  119.560   7.5910  134.902   7.6388 -15.34200 10.76913 
1 1 1  -11   16   12 o  199.501   5.4015  267.855   12.882  264.577   14.980  277.159   25.240  197.380   5.6006  201.623   9.2377 -4.242599 10.80291 
1 1 1  -11   16   13 o  142.532   5.7277  142.543   9.7048  147.508   11.390  129.393   18.537  147.372   5.7035  137.693   9.9346 9.679108 11.45546 
1 1 1  -11   16   14 o   76.215   7.9932   42.621   6.9007   45.218   8.1012   35.754   13.173   81.530   7.3324   70.899   14.206 10.63168 15.98644 
1 1 1  -11   16   15 o  144.363   5.4815  135.907   9.6241  128.964   11.211  155.352   18.762  137.777   6.0049  150.948   9.1721 -13.17142 10.96295 
1 1 1  -11   16   16 o  153.589   5.4380  157.851   10.143  154.584   11.882  166.624   19.474  150.854   5.8121  156.323   9.1927 -5.468536 10.87596 
1 1 1  -11   16   17 o  106.884   6.4386   77.649   9.3258   77.649   9.3258   0.0000   0.0000  106.884   6.4386  ?   ?       ?      ? 
1 1 1  -11   16   18 o  109.693   6.4909   81.791   9.6486   81.791   9.6486   0.0000   0.0000  109.693   6.4909  ?   ?       ?      ? 
1 1 1  -11   16   19 o   66.291   8.9754   36.055   7.0600   43.935   8.5247   18.849   12.597   80.336   7.8305   52.246   16.153 28.08947 17.95073 
1 1 1  -11   16   20 o  142.220   5.7482  140.708   9.9005  144.578   11.722  131.076   18.494  145.875   5.9296  138.564   9.8492 7.310654 11.49639 
1 1 1  -11   16   21 o   84.429   7.9887   54.004   7.6586   60.162   9.1666   39.768   13.937   94.038   7.1932   74.820   14.267 19.21741 15.97743 
1 1 1  -11   16   22 f  123.740   6.1903  106.316   9.3281  108.945   11.075   99.899   17.306  126.592   6.4556  120.888   10.564 5.704391 12.38051 
1 1 1  -11   16   23 o  189.046   5.5157  232.509   12.700  219.756   14.798  268.168   24.744  179.825   6.0724  198.266   9.2096 -18.44099 11.03132 
1 1 1  -11   16   24 o  170.962   5.7553  206.113   11.988  216.173   14.335  182.705   21.866  178.362   5.9307  163.562   9.8652 14.80011 11.51065 
1 1 1  -11   16   25 o   90.625   9.6515   68.352   10.013  108.100   13.574   20.913   14.829  125.981   7.9511   55.269   17.589 70.71242 19.30295 
1 1 1  -11   16   26 o  134.425   5.8385  117.110   9.8605  108.054   11.706  139.235   18.297  126.035   6.8538  142.816   9.4539 -16.78134 11.67693 
1 1 1  -11   16   27 o  125.878   5.8135  101.435   9.2751   90.862   11.053  126.602   17.053  115.557   7.0583  136.199   9.2395 -20.64184 11.62697 
1 1 1  -11   16   28 o  141.288   5.6525  133.311   10.029  129.048   12.005  143.158   18.246  137.761   6.4309  144.815   9.2976 -7.054733 11.30491 
1 1 1  -11   16   29 o   79.186   8.0643   42.635   8.5904   40.358   11.364   45.671   13.122   76.775   10.923   81.597   11.867 -4.821327 16.12858 
1 1 1  -11   16   30 o   91.350   10.156   59.493   11.526   55.166   19.484   61.824   14.297   87.703   17.007   94.998   11.106 -7.294930 20.31206 
1 1 1  -11   16   31 o  124.033   8.2814  108.026   13.365   95.718   21.470  115.812   17.077  117.885   13.440  130.180   9.6799 -12.29555 16.56287 
1 1 1  -11   16   32 o  141.993   6.2472  139.111   11.724  145.074   15.193  130.332   18.434  145.922   7.6832  138.064   9.8527 7.857422 12.49432 
1 1 1  -11   16   33 o   89.958   7.6025   54.310   9.1723   46.978   12.002   64.607   14.222   82.812   10.695   97.103   10.808 -14.29113 15.20508 
1 1 1  -11   16   34 o  138.955   6.3210  131.770   11.649  131.406   14.999  132.323   18.491  138.825   7.9729  139.085   9.8108 -0.2600555 12.64194 
1 1 1  -11   16   35 o  157.552   5.8429  171.843   11.402  175.677   13.687  163.146   20.614  160.697   6.2852  154.408   9.8515 6.288818 11.68573 
1 1 1  -11   16   36 o  143.174   5.7505  134.445   10.383  125.857   12.396  154.642   19.009  135.964   6.7277  150.383   9.3278 -14.41864 11.50091 
1 1 1  -11   16   37 o   55.488   12.434   22.030   9.1176   22.030   9.1176   0.0000   0.0000   55.488   12.434  ?   ?       ?      ? 
1 1 1  -11   16   38 o   73.565   9.5362   37.049   9.5067   37.049   9.5067   0.0000   0.0000   73.565   9.5362  ?   ?       ?      ? 
1 1 1  -11   16   39 o  118.266   6.4598   98.667   9.5278  103.892   11.600   87.835   16.703  123.474   6.9328  113.059   10.902 10.41456 12.91951 
1 1 1  -11   16   40 o   77.755   7.7644   41.310   7.8167   40.671   9.6840   42.504   13.242   77.064   9.2730   78.447   12.456 -1.383217 15.52882 
1 1 1  -11   16   41 o   50.566   9.8629   19.034   7.2388   24.134   9.2655   11.046   11.597   58.078   12.162   43.055   15.530 15.02383 19.72571 
1 1 1  -11   16   42 f   86.618   7.2171   51.496   8.1459   51.303   10.202   51.835   13.531   86.563   8.6968   86.673   11.520 -0.1100235 14.43419 
1 1 1  -11   16   43 o   75.150   8.3482   40.778   7.8383   43.815   9.8859   35.637   12.863   79.929   9.1270   70.371   13.981 9.558311 16.69640 
1 1 1  -11   16   44 o   71.674   8.3702   35.638   7.6536   34.401   9.5769   37.824   12.732   70.709   9.9947   72.639   13.429 -1.930664 16.74038 
1 1 1  -11   16   45 o   84.882   7.2397   48.354   8.0545   44.841   10.028   54.742   13.521   80.796   9.1588   88.969   11.215 -8.173676 14.47948 
1 1 1  -11   16   46 o   92.335   6.9231   58.078   8.3339   56.389   10.383   61.136   13.972   90.663   8.4510   94.008   10.968 -3.344673 13.84619 
1 1 1  -11   16   47 o   84.383   7.3220   46.341   8.1232   36.892   10.137   63.298   13.579   73.082   10.236   95.685   10.473 -22.60342 14.64390 
1 1 1  -11   16   48 o  161.342   6.3179  179.087   13.627  178.702   17.862  179.623   21.076  161.340   8.1697  161.344   9.6396 -0.3585815E-02 12.63587 
1 1 1  -11   16   49 o  103.086   7.3125   72.391   10.104   59.485   13.426   89.247   15.344   92.586   10.701  113.585   9.9687 -20.99813 14.62499 
1 1 1  -11   16   50 o   76.367   8.0806   44.987   7.4248   27.376   11.459   57.728   9.7474   61.065   14.129   91.670   7.8466 -30.60567 16.16125 
1 1 1  -11   16   51 o   63.231   8.6993   31.181   7.0017   18.744   11.018   39.606   9.0683   50.717   14.989   75.746   8.8345 -25.02928 17.39864 
1 1 1  -11   16   52 o   54.398   9.1906   21.162   6.5635   24.679   10.548   18.941   8.3845   57.883   13.666   50.913   12.292 6.969654 18.38112 
1 1 1  -11   16   53 o   92.659   6.4350   57.719   7.9018   78.109   12.300   43.388   10.311  106.302   8.5383   79.015   9.6298 27.28657 12.86991 
1 1 1  -11   16   54 o  106.904   8.9035   79.257   12.898   79.257   12.898   0.0000   0.0000  106.904   8.9035  ?   ?       ?      ? 
1 1 1  -11   16   55 o   81.571   8.9649   51.220   8.9922   65.250   11.985   33.151   13.601   96.855   9.1315   66.288   15.430 30.56738 17.92980 
1 1 1  -11   16   56 o   43.388   10.500   13.019   7.4687   14.691   10.157   11.051   11.020   45.172   14.576   41.603   15.119 3.568798 21.00092 
1 1 1  -11   16   57 o  104.991   6.0134   77.709   8.3939   70.146   12.783   83.442   11.129  100.131   9.4209  109.852   7.4761 -9.721428 12.02690 
1 1 1  -11   16   58 f  133.126   5.3859  120.416   9.6202  142.798   14.884  104.358   12.608  143.528   7.6525  122.724   7.5809 20.80412 10.77177 
1 1 1  -11   16   59 o   98.791   6.1575   68.697   8.1394   64.947   12.320   71.601   10.842   96.106   9.4599  101.475   7.8847 -5.368958 12.31496 
1 1 1  -11   16   60 o   43.963   9.6232   14.080   6.2384   16.207   9.7914   12.626   8.0938   46.442   14.222   41.485   12.968 4.956299 19.24635 
1 1 1  -11   16   61 o   41.906   9.5776   12.917   6.1560   11.948   9.7496   13.559   7.9386   41.175   14.294   42.637   12.752 -1.461018 19.15525 
1 1 1  -11   16   62 o   86.020   8.0648   50.919   8.3711   59.523   16.487   47.930   9.7169   89.536   13.588   82.505   8.6909 7.030838 16.12959 
1 1 1  -11   16   63 o   43.876   12.917   14.608   8.1970   0.0000   0.0000   14.608   8.1970  ?   ?    43.876   12.917      ?      ? 
1 1 1  -11   16   64 o   44.146   12.927   14.886   8.2292   0.0000   0.0000   14.886   8.2292  ?   ?    44.146   12.927      ?      ? 
1 1 1  -11   16   65 o   26.918   8.7052  -6.1488   6.2032   2.4831   12.089  -9.2338   7.2271   34.135   14.628   19.701   9.4423 14.43369 17.41049 
1 1 1  -11   16   66 o   64.662   9.7595   33.553   7.6337   29.285   14.452   35.205   8.9901   59.250   17.069   70.074   9.4673 -10.82375 19.51909 
1 1 1  -11   16   67 o   39.743   10.472   9.8285   6.8347   14.640   13.339   8.1155   7.9588   44.545   16.557   34.941   12.825 9.603756 20.94350 
1 1 1  -11   16   68 o   56.267   11.731   26.200   9.7717   33.740   14.192   19.403   13.475   63.638   16.365   48.895   16.814 14.74280 23.46300 
1 1 1  -11   16   69 o   80.084   10.244   50.720   10.855   46.864   15.398   54.531   15.306   75.855   15.503   84.312   13.396 -8.457207 20.48897 
1 1 1  -11   16   70 o   53.677   11.720   24.248   9.7719   32.072   13.761   16.290   13.878   61.696   16.238   45.658   16.905 16.03812 23.44065 
1 1 1  -11   16   72 o   26.487   8.8923 -11.4891   8.6785 -16.1691   12.143  -6.6024   12.408   24.382   11.822   28.592   13.287 -4.209930 17.78458 
1 1 1  -11   16   73 f   47.009   11.546   18.515   9.0996   21.822   12.746   15.078   12.995   50.341   16.337   43.677   16.321 6.664410 23.09296 
1 1 1  -11   16   74 o   58.981   11.753   30.894   9.8646   34.193   13.742   27.385   14.169   62.761   16.084   55.201   17.142 7.560146 23.50617 
1 1 1  -11   16   75 o   47.685   16.704   20.039   13.329   20.039   13.329   0.0000   0.0000   47.685   16.704  ?   ?       ?      ? 
1 1 1  -11   16   76 o   41.925   16.095   14.278   12.839   14.278   12.839   0.0000   0.0000   41.925   16.095  ?   ?       ?      ? 
1 1 1  -11   16   77 o   40.463   15.675   13.218   12.259   13.218   12.259   0.0000   0.0000   40.463   15.675  ?   ?       ?      ? 
1 1 1  -11   16   78 o   41.585   16.054   14.901   12.826   14.901   12.826   0.0000   0.0000   41.585   16.054  ?   ?       ?      ? 
1 1 1  -11   16   79 f   36.228   15.002   9.2114   12.037   9.2114   12.037   0.0000   0.0000   36.228   15.002  ?   ?       ?      ? 
1 1 1  -11   16   80 f   26.854   12.518  -4.0900   11.149  -4.0900   11.149   0.0000   0.0000   26.854   12.518  ?   ?       ?      ? 
1 1 1  -11   17    1 o  150.709   6.8502  159.141   13.035  143.653   22.438  167.031   16.015  144.793   11.435  156.624   7.5454 -11.83128 13.70036 
1 1 1  -11   17    2 o  169.995   6.6603  203.604   14.385  177.972   24.229  217.557   17.876  161.219   11.090  178.771   7.3789 -17.55139 13.32067 
1 1 1  -11   17    3 o  109.059   9.4464   82.467   13.842   89.220   18.941   74.726   20.280  114.019   12.258  104.099   14.376 9.919571 18.89273 
1 1 1  -11   17    4 o   58.780   11.407   20.660   8.2555   16.626   9.3877   34.423   17.340   48.496   13.687   69.064   18.252 -20.56777 22.81405 
1 1 1  -11   17    5 o   68.564   8.0077   32.884   7.1730   34.053   9.5340   31.360   10.889   70.593   9.9662   66.535   12.537 4.058220 16.01535 
1 1 1  -11   17    6 f   64.028   8.1611   28.129   6.8978   25.204   9.1058   32.068   10.566   59.641   11.685   68.416   11.397 -8.775612 16.32214 
1 1 1  -11   17    7 o   60.069   8.6818   24.358   6.9221   17.682   9.0324   33.861   10.775   49.829   13.175   70.308   11.310 -20.47901 17.36350 
1 1 1  -11   17    8 o   94.559   6.3840   59.529   8.0495   46.844   10.572   77.028   12.417   82.833   9.4182  106.284   8.6209 -23.45107 12.76800 
1 1 1  -11   17    9 o  175.626   5.0648  211.174   11.980  230.908   16.635  189.909   17.268  184.254   6.6621  166.998   7.6304 17.25562 10.12952 
1 1 1  -11   17   10 o  148.322   5.1821  149.433   10.381  146.061   14.048  153.490   15.407  146.506   7.0760  150.139   7.5728 -3.632629 10.36417 
1 1 1  -11   17   11 o  133.171   7.2983  120.717   13.171  120.717   13.171   0.0000   0.0000  133.171   7.2983  ?   ?       ?      ? 
1 1 1  -11   17   12 o  144.656   5.9436  142.219   11.651  142.219   11.651   0.0000   0.0000  144.656   5.9436  ?   ?       ?      ? 
1 1 1  -11   17   13 o   71.513   8.3346   34.862   8.0771   34.862   8.0771   0.0000   0.0000   71.513   8.3346  ?   ?       ?      ? 
1 1 1  -11   17   14 o  145.900   5.8464  151.745   10.206  160.329   12.101  130.584   19.000  153.598   5.8135  138.201   10.145 15.39636 11.69285 
1 1 1  -11   17   15 o  192.514   5.4614  240.351   12.634  227.423   14.603  278.826   25.191  182.926   5.8908  202.102   9.1981 -19.17612 10.92275 
1 1 1  -11   17   16 o  174.111   6.0125  203.923   13.827  194.828   17.508  218.995   22.539  169.130   7.6389  179.092   9.2870 -9.961487 12.02498 
1 1 1  -11   17   17 o   40.180   9.2281   10.777   6.4306   16.461   7.7355  -1.9388   11.570   48.047   11.934   32.312   14.078 15.73518 18.45622 
1 1 1  -11   17   18 o  167.070   5.7073  191.216   11.575  192.456   13.647  188.039   21.848  168.261   5.9851  165.878   9.7196 2.382370 11.41456 
1 1 1  -11   17   19 o  235.997   5.7050  385.090   16.180  391.728   19.016  367.679   30.797  240.068   5.8452  231.925   9.7990 8.142700 11.41000 
1 1 1  -11   17   20 f  167.567   5.7050  193.198   11.641  195.567   13.774  187.276   21.780  169.608   5.9927  165.526   9.7097 4.081985 11.41007 
1 1 1  -11   17   21 o  193.021   6.2206  261.230   15.685  286.404   20.309  224.018   24.692  205.078   7.3078  180.965   10.069 24.11346 12.44114 
1 1 1  -11   17   22 o  210.662   5.5487  292.901   14.042  282.403   16.288  323.282   27.710  203.814   5.8971  217.510   9.4009 -13.69589 11.09739 
1 1 1  -11   17   23 o  124.162   6.4024  108.941   9.6657  114.108   11.540   96.796   17.692  129.499   6.5760  118.825   10.987 10.67433 12.80473 
1 1 1  -11   17   24 o  260.769   5.8461  466.623   18.240  469.791   21.325  457.988   35.208  262.847   5.9868  258.691   10.043 4.155609 11.69224 
1 1 1  -11   17   25 f  265.243   6.3734  492.538   22.097  534.792   28.533  429.224   34.927  280.139   7.5160  250.346   10.295 29.79301 12.74682 
1 1 1  -11   17   26 o  110.562   7.4186   84.793   10.874   89.413   14.226   78.299   16.864  114.376   9.1783  106.748   11.658 7.627396 14.83730 
1 1 1  -11   17   27 o  218.441   6.1906  329.341   17.776  340.958   22.777  311.239   28.432  223.652   7.5152  213.229   9.8395 10.42329 12.38122 
1 1 1  -11   17   28 o  237.797   5.6713  365.375   16.245  343.280   18.781  431.009   32.370  224.620   6.1700  250.975   9.5176 -26.35516 11.34258 
1 1 1  -11   17   29 o  210.005   5.7605  306.167   14.694  312.955   17.407  289.332   27.412  214.482   5.9889  205.529   9.8420 8.953827 11.52092 
1 1 1  -11   17   30 o  178.874   5.7924  221.421   12.666  225.487   15.051  211.551   23.449  182.033   6.1015  175.714   9.8478 6.318817 11.58477 
1 1 1  -11   17   31 o  174.980   6.3605  213.877   14.634  231.525   19.048  188.455   22.862  184.211   7.6305  165.750   10.178 18.46104 12.72104 
1 1 1  -11   17   32 o  195.445   5.6624  259.266   13.581  257.094   16.069  264.698   25.411  194.343   6.1014  196.546   9.5406 -2.202072 11.32481 
1 1 1  -11   17   33 o   79.958   8.8563   43.756   9.5961   43.756   9.5961   0.0000   0.0000   79.958   8.8563  ?   ?       ?      ? 
1 1 1  -11   17   34 o  142.413   6.3950  138.176   12.342  138.176   12.342   0.0000   0.0000  142.413   6.3950  ?   ?       ?      ? 
1 1 1  -11   17   35 f  165.862   5.7205  185.452   11.691  181.818   13.835  194.529   21.865  163.364   6.2494  168.360   9.5834 -4.995972 11.44101 
1 1 1  -11   17   36 o  101.426   6.5793   68.687   8.4609   65.418   10.183   75.973   15.205   97.837   7.6805  105.015   10.685 -7.177513 13.15862 
1 1 1  -11   17   37 o   64.835   9.0697   30.793   7.3953   33.131   9.1671   26.434   12.515   69.422   9.7443   60.248   15.300 9.174511 18.13940 
1 1 1  -11   17   38 o   74.757   7.8567   36.364   7.6018   31.566   9.2403   46.412   13.372   67.704   10.071   81.810   12.061 -14.10645 15.71346 
1 1 1  -11   17   39 o  108.587   6.3694   78.728   8.8044   74.677   10.629   87.587   15.717  104.485   7.5066  112.689   10.292 -8.204033 12.73870 
1 1 1  -11   17   40 o  111.491   6.3428   81.341   9.0528   73.814   10.914   97.940   16.208  103.819   7.7574  119.162   10.037 -15.34296 12.68553 
1 1 1  -11   17   41 o   91.496   6.9715   54.316   8.2723   46.743   10.076   69.974   14.489   82.430   9.0203  100.561   10.632 -18.13093 13.94295 
1 1 1  -11   17   42 o   67.026   9.3635   35.356   7.8541   42.867   9.8374   22.149   13.044   78.880   9.2030   55.173   16.310 23.70749 18.72700 
1 1 1  -11   17   43 o   69.208   9.3055   37.691   7.9870   45.951   10.068   23.669   13.118   81.646   9.1001   56.770   16.234 24.87572 18.61100 
1 1 1  -11   17   44 o   65.477   9.8628   32.418   8.7642   45.302   12.019   17.787   12.808   80.693   10.991   50.260   16.380 30.43372 19.72569 
1 1 1  -11   17   45 o   76.996   9.0476   42.972   9.0540   48.210   12.293   36.761   13.385   83.196   10.903   70.796   14.441 12.40040 18.09521 
1 1 1  -11   17   46 o   54.811   9.6606   23.240   7.5643   29.795   9.5632   12.282   12.363   65.368   10.796   44.254   16.024 21.11473 19.32124 
1 1 1  -11   17   47 o   52.581   10.164   20.429   7.3238   20.840   9.2871   19.753   11.910   53.264   12.984   51.898   15.641 1.366306 20.32832 
1 1 1  -11   17   48 o   48.812   10.281   17.444   7.2172   17.912   9.2271   16.707   11.584   49.340   13.437   48.284   15.565 1.056614 20.56251 
1 1 1  -11   17   49 o   87.923   7.8622   55.472   9.1229   61.336   12.075   47.674   13.925   93.880   9.4916   81.966   12.537 11.91431 15.72444 
1 1 1  -11   17   50 o   31.963   9.6255   0.3553   7.3172  -2.5950   9.6930   4.2639   11.157   28.377   12.603   35.550   14.552 -7.173058 19.25105 
1 1 1  -11   17   51 o   73.819   11.154   38.491   11.158   38.491   11.158   0.0000   0.0000   73.819   11.154  ?   ?       ?      ? 
1 1 1  -11   17   52 o   61.855   9.3480   31.279   7.5810   39.630   9.5423   16.988   12.483   75.289   9.3527   48.420   16.189 26.86900 18.69601 
1 1 1  -11   17   53 o   71.307   8.5507   36.906   7.6366   36.901   9.4469   36.916   12.973   72.509   9.6143   70.105   14.143 2.403679 17.10138 
1 1 1  -11   17   54 o   89.542   7.5777   55.657   9.0611   49.936   11.666   64.357   14.386   84.045   10.243   95.039   11.170 -10.99346 15.15535 
1 1 1  -11   17   55 o  105.008   5.8698   77.656   8.2446   71.866   12.403   82.240   11.035  101.180   9.0461  108.836   7.4823 -7.655914 11.73955 
1 1 1  -11   17   56 o   50.808   9.1718   20.132   6.4351   14.808   9.9281   23.989   8.4506   44.675   14.411   56.942   11.350 -12.26700 18.34350 
1 1 1  -11   17   57 o   33.196   9.1753   5.6688   5.9110   5.9955   9.2062   5.4397   7.7102   34.305   13.499   32.087   12.431 2.217552 18.35052 
1 1 1  -11   17   58 o   42.914   10.185   14.088   6.9229   6.0995   14.096   16.627   7.9473   39.006   16.200   46.821   12.348 -7.814579 20.36983 
1 1 1  -11   17   59 o   60.334   10.792   26.916   8.4996   0.0000   0.0000   26.916   8.4996  ?   ?    60.334   10.792      ?      ? 
1 1 1  -11   17   60 o   50.074   12.079   19.112   8.1019   0.0000   0.0000   19.112   8.1019  ?   ?    50.074   12.079      ?      ? 
1 1 1  -11   17   61 o   58.826   9.8197   28.889   7.3243   20.831   14.094   31.871   8.5728   50.910   17.201   66.741   9.4786 -15.83079 19.63933 
1 1 1  -11   17   62 o   65.210   9.7941   34.428   7.7454   29.158   14.537   36.517   9.1526   59.061   17.150   71.360   9.4647 -12.29978 19.58819 
1 1 1  -11   17   63 o   43.563   10.641   12.136   6.9418   21.595   13.600   8.8034   8.0726   51.282   16.887   35.843   12.953 15.43884 21.28228 
1 1 1  -11   17   64 o   36.039   10.222   6.1188   6.9346   11.195   13.159   4.1672   8.1595   41.301   16.173   30.777   12.504 10.52451 20.44304 
1 1 1  -11   17   65 o   29.634   9.5455  -3.9649   8.4481  -3.5798   11.869  -4.3603   12.027   29.746   13.514   29.521   13.485 0.2258377 19.09104 
1 1 1  -11   17   66 o   35.413   10.392   2.4089   8.8362  -7.6890   12.228   13.446   12.784   28.048   13.086   42.778   16.146 -14.73047 20.78327 
1 1 1  -11   17   68 o   39.779   11.087   9.7262   9.0443   3.9773   12.612   15.812   12.976   34.891   14.946   44.667   16.379 -9.776020 22.17324 
1 1 1  -11   17   69 f   32.919   10.149   2.0542   8.5169   2.3388   12.101   1.7748   11.990   33.158   14.423   32.680   14.283 0.4772568 20.29805 
1 1 1  -11   17   70 o   49.904   11.752   21.702   9.3088   22.077   12.971   21.303   13.368   50.348   16.487   49.460   16.751 0.8875313 23.50391 
1 1 1  -11   17   71 o   43.112   10.955   12.643   9.0237   1.4338   12.268   25.856   13.320   32.396   14.294   53.827   16.604 -21.43072 21.90921 
1 1 1  -11   17   72 o   33.908   14.587   4.3322   12.105   4.3322   12.105   0.0000   0.0000   33.908   14.587  ?   ?       ?      ? 
1 1 1  -11   17   73 o   60.131   16.359   32.852   13.685   32.852   13.685   0.0000   0.0000   60.131   16.359  ?   ?       ?      ? 
1 1 1  -11   17   74 o   34.088   14.598   5.4713   12.027   5.4713   12.027   0.0000   0.0000   34.088   14.598  ?   ?       ?      ? 
1 1 1  -11   17   75 o   37.699   15.382   10.534   12.415   10.534   12.415   0.0000   0.0000   37.699   15.382  ?   ?       ?      ? 
1 1 1  -11   17   76 o   49.901   16.781   24.749   13.415   24.749   13.415   0.0000   0.0000   49.901   16.781  ?   ?       ?      ? 
1 1 1  -11   17   77 o   37.984   15.393   12.120   12.330   12.120   12.330   0.0000   0.0000   37.984   15.393  ?   ?       ?      ? 
1 1 1  -11   18    1 o  103.690   6.1180   73.355   8.5176   72.739   11.285   74.171   12.985  103.240   8.0660  104.140   9.2009 -0.8995667 12.23591 
1 1 1  -11   18    2 o  132.733   5.4881  121.003   9.7877  128.393   13.276  112.204   14.487  137.271   7.1368  128.195   8.3392 9.076065 10.97616 
1 1 1  -11   18    3 o   49.989   9.7355   17.873   6.7753   18.543   8.9698   16.983   10.339   50.882   12.970   49.097   14.522 1.784527 19.47103 
1 1 1  -11   18    4 o   35.847   9.3126   4.6730   6.3779  -1.7922   8.4291   13.332   9.7550   27.317   11.956   44.377   14.281 -17.06010 18.62527 
1 1 1  -11   18    5 o   39.044   10.741   7.4809   7.5048   9.9144   8.4264  -1.8543   16.504   39.243   13.300   38.846   16.870 0.3971100 21.48219 
1 1 1  -11   18    6 o   53.995   9.1762   25.763   8.0693   36.841   9.2054 -10.9914   16.767   73.395   9.2554   34.595   15.848 38.80005 18.35232 
1 1 1  -11   18    7 o   36.803   10.873   0.4747   7.4983  -1.8074   8.3984   9.4410   16.647   27.251   11.931   46.355   18.180 -19.10387 21.74531 
1 1 1  -11   18    8 o   36.178   9.4322   5.9917   6.6743   12.274   8.8205  -2.4233   10.209   42.521   13.569   29.834   13.105 12.68690 18.86443 
1 1 1  -11   18    9 o  133.915   8.6708  122.978   15.697  115.673   21.318  131.630   23.200  129.613   12.137  138.218   12.386 -8.605148 17.34154 
1 1 1  -11   18   10 f   91.931   11.182   60.188   13.497   64.847   18.448   54.822   19.800   96.776   14.067   87.086   17.387 9.689949 22.36454 
1 1 1  -11   18   11 o  119.209   6.6668   95.253   10.147   91.522   12.313  103.148   17.911  115.826   7.8447  122.592   10.782 -6.766228 13.33354 
1 1 1  -11   18   12 o  121.810   6.3199  102.517   9.0681  103.663   10.527   99.219   17.855  123.416   6.2942  120.203   10.961 3.213028 12.63987 
1 1 1  -11   18   13 o  151.976   5.9289  160.709   10.614  163.911   12.350  151.659   20.763  155.232   5.8710  148.719   10.302 6.513519 11.85786 
1 1 1  -11   18   14 o  156.244   5.7973  165.082   10.731  163.409   12.427  169.989   21.282  154.987   5.9168  157.500   9.9714 -2.513474 11.59466 
1 1 1  -11   18   15 o   61.581   9.2975   25.466   6.8570   23.412   8.0046   31.129   13.291   57.519   10.662   65.643   15.235 -8.123989 18.59500 
1 1 1  -11   18   16 o   72.321   8.3854   36.664   7.0509   36.707   8.2429   36.545   13.612   73.309   8.2974   71.333   14.574 1.975739 16.77073 
1 1 1  -11   18   17 o   58.862   9.2941   23.902   6.7064   22.594   7.9468   27.139   12.501   56.449   10.782   61.276   15.142 -4.827015 18.58817 
1 1 1  -11   18   18 o  120.324   6.1416   97.988   9.0081   96.714   10.600  101.300   17.092  119.163   6.5640  121.485   10.382 -2.321899 12.28312 
1 1 1  -11   18   19 o  135.895   5.9369  125.456   9.7909  124.516   11.503  127.925   18.651  135.235   6.2770  136.555   10.079 -1.320541 11.87384 
1 1 1  -11   18   20 o   95.447   6.6487   56.060   7.9650   46.863   9.3588   80.227   15.170   82.804   8.3403  108.090   10.357 -25.28571 13.29745 
1 1 1  -11   18   21 o  176.203   6.2812  214.255   14.507  219.822   18.461  205.265   23.459  179.459   7.5910  172.948   10.009 6.510605 12.56236 
1 1 1  -11   18   22 o  159.685   6.2595  171.590   13.209  161.963   16.710  187.628   21.567  153.962   8.0092  165.407   9.6217 -11.44499 12.51895 
1 1 1  -11   18   23 o  104.951   6.5589   69.735   8.6632   61.150   10.237   91.398   16.262   94.596   7.9856  115.307   10.407 -20.71115 13.11786 
1 1 1  -11   18   24 o   76.559   8.5284   42.490   7.8150   44.669   9.4389   37.740   13.936   80.781   8.6224   72.336   14.717 8.445053 17.05689 
1 1 1  -11   18   25 o  124.701   6.2607  107.289   9.5394  108.311   11.307  104.768   17.767  126.041   6.6201  123.362   10.628 2.679100 12.52141 
1 1 1  -11   18   26 o   92.310   7.0371   55.780   8.1240   51.720   9.6185   65.886   15.175   86.945   8.1636   97.675   11.465 -10.72997 14.07414 
1 1 1  -11   18   27 o  103.906   6.8767   76.086   8.6809   78.688   10.324   69.806   16.038  107.357   7.0964  100.454   11.781 6.903847 13.75338 
1 1 1  -11   18   28 f   95.438   6.7935   59.224   8.2014   53.804   9.7748   72.111   15.074   88.654   8.1363  102.223   10.882 -13.56829 13.58705 
1 1 1  -11   18   29 o   88.901   7.9708   54.100   9.6026   54.100   9.6026   0.0000   0.0000   88.901   7.9708  ?   ?       ?      ? 
1 1 1  -11   18   30 o  116.717   6.9480   93.050   10.990   93.050   10.990   0.0000   0.0000  116.717   6.9480  ?   ?       ?      ? 
1 1 1  -11   18   31 o  148.033   5.8864  143.356   10.700  134.684   12.525  166.779   20.585  140.460   6.5805  155.605   9.7620 -15.14555 11.77284 
1 1 1  -11   18   32 o  108.527   6.4752   71.020   8.7856   56.818   10.277  109.571   16.932   91.003   8.3337  126.051   9.9126 -35.04840 12.95033 
1 1 1  -11   18   33 o   80.007   8.0485   38.168   7.8548   25.363   9.2971   70.103   14.682   59.389   11.966  100.624   10.767 -41.23516 16.09698 
1 1 1  -11   18   34 o  138.911   5.9898  123.701   10.361  111.579   12.176  155.506   19.723  127.706   7.0359  150.115   9.6956 -22.40810 11.97952 
1 1 1  -11   18   35 o  111.978   7.1351   94.691   9.5419  107.623   11.618   67.892   16.725  125.430   6.8353   98.525   12.527 26.90546 14.27017 
1 1 1  -11   18   36 o  101.275   6.8229   64.289   8.7671   53.456   10.403   90.846   16.287   88.107   8.7127  114.444   10.502 -26.33677 13.64573 
1 1 1  -11   18   37 o  131.604   5.9165  107.457   9.7568   90.741   11.454  151.650   18.624  115.029   7.3482  148.178   9.2750 -33.14983 11.83308 
1 1 1  -11   18   38 o  103.537   7.0016   78.218   8.8438   84.528   10.704   64.645   15.698  111.032   7.1140   96.043   12.062 14.98940 14.00327 
1 1 1  -11   18   39 o   81.561   7.4368   41.449   7.7581   31.781   9.2984   63.598   14.074   67.630   10.146   95.493   10.876 -27.86274 14.87351 
1 1 1  -11   18   40 f   44.869   10.295   13.618   6.8838   12.279   8.4804   16.206   11.786   41.810   13.301   47.927   15.718 -6.116688 20.59042 
1 1 1  -11   18   41 o   35.616   10.459   3.3764   8.2080   1.1351   13.187   4.7940   10.487   35.853   15.318   35.380   14.245 0.4733887 20.91824 
1 1 1  -11   18   42 o  105.847   7.0660   78.761   9.9319   81.809   12.984   74.464   15.419  108.665   8.8175  103.029   11.044 5.635796 14.13201 
1 1 1  -11   18   43 o  104.447   7.0413   73.813   9.8098   62.248   12.619   91.476   15.595   94.456   9.8584  114.438   10.056 -19.98144 14.08260 
1 1 1  -11   18   44 o   74.738   8.9476   38.675   8.5119   23.484   10.997   61.372   13.443   55.988   14.410   93.489   10.611 -37.50149 17.89519 
1 1 1  -11   18   45 o   58.520   9.5333   23.484   7.2648   17.101   9.0167   35.295   12.265   48.029   13.364   69.010   13.599 -20.98083 19.06667 
1 1 1  -11   18   46 f   77.994   8.2867   44.352   7.9043   45.466   9.6513   42.083   13.775   80.792   8.8153   75.195   14.035 5.596451 16.57340 
1 1 1  -11   18   47 o   86.850   8.5445   52.530   10.056   52.530   10.056   0.0000   0.0000   86.850   8.5445  ?   ?       ?      ? 
1 1 1  -11   18   48 o   58.010   11.940   24.869   9.0730   24.869   9.0730   0.0000   0.0000   58.010   11.940  ?   ?       ?      ? 
1 1 1  -11   18   49 o   45.269   10.259   14.994   6.9301   15.014   8.5921   14.959   11.723   44.890   13.228   45.648   15.684 -0.7574883 20.51732 
1 1 1  -11   18   50 o   53.842   10.154   22.694   7.4430   24.547   9.2633   19.319   12.502   57.315   12.295   50.369   16.163 6.945671 20.30815 
1 1 1  -11   18   51 o  113.264   6.3947   83.267   9.2304   71.041   11.016  112.077   16.911  100.842   8.0613  125.687   9.9288 -24.84500 12.78931 
1 1 1  -11   18   52 o   42.354   10.403   12.097   7.0927   9.7138   8.8673   16.331   11.818   37.997   13.594   46.712   15.751 -8.714790 20.80556 
1 1 1  -11   18   53 o   40.923   10.798   10.472   8.0423   7.2530   10.659   14.728   12.255   36.807   14.511   45.039   15.995 -8.232243 21.59659 
1 1 1  -11   18   54 o   50.048   9.3670   15.648   7.7392   0.6071   10.127   36.769   12.000   30.642   13.261   69.455   13.233 -38.81306 18.73393 
1 1 1  -11   18   55 o   49.066   10.432   17.689   7.7767   10.568   10.273   27.249   11.902   39.530   14.561   58.603   14.942 -19.07315 20.86349 
1 1 1  -11   18   56 o   73.319   9.1449   40.764   8.7664   41.551   11.625   39.727   13.347   75.353   11.385   71.285   14.314 4.068771 18.28975 
1 1 1  -11   18   57 f   75.000   8.8682   41.480   8.5458   28.323   11.300   59.056   13.061   59.897   14.147   90.103   10.697 -30.20520 17.73640 
1 1 1  -11   18   58 o   49.687   10.621   19.719   7.7679   17.935   10.774   21.651   11.210   47.533   14.978   51.840   15.062 -4.307339 21.24168 
1 1 1  -11   18   59 o   52.552   10.430   21.857   8.0609   14.004   11.087   30.662   11.740   43.060   15.222   62.044   14.262 -18.98416 20.85954 
1 1 1  -11   18   60 o   56.281   11.565   25.705   9.2373   31.800   14.590   21.628   11.933   61.237   16.987   51.324   15.698 9.913315 23.12918 
1 1 1  -11   18   61 o   53.051   10.248   24.579   7.6519   15.337   14.262   28.315   9.0674   45.073   17.044   61.028   11.383 -15.95557 20.49582 
1 1 1  -11   18   63 o   37.125   15.267   7.2206   12.351   0.0000   0.0000   7.2206   12.351  ?   ?    37.125   15.267      ?      ? 
1 1 1  -11   18   64 o   26.974   8.8883  -7.4360   8.0388 -12.0985   11.703  -3.2713   11.061   25.302   12.097   28.645   13.026 -3.342947 17.77659 
1 1 1  -11   18   65 o   45.174   11.390   16.308   8.9680   11.491   12.479   21.452   12.896   40.365   15.765   49.982   16.444 -9.617092 22.78034 
1 1 1  -11   18   66 o   46.548   11.614   18.069   9.2104   22.302   13.351   14.225   12.723   50.454   16.737   42.642   16.105 7.812626 23.22726 
1 1 1  -11   18   67 o   38.670   11.041   9.8361   8.9573   8.1676   12.639   11.520   12.696   37.320   15.407   40.020   15.819 -2.700111 22.08178 
1 1 1  -11   18   68 o   23.051   11.182 -14.2531   10.901 -14.2531   10.901   0.0000   0.0000   23.051   11.182  ?   ?       ?      ? 
1 1 1  -11   18   69 o   42.961   16.218   15.591   12.899   15.591   12.899   0.0000   0.0000   42.961   16.218  ?   ?       ?      ? 
1 1 1  -11   18   70 o   58.057   16.404   31.183   13.477   31.183   13.477   0.0000   0.0000   58.057   16.404  ?   ?       ?      ? 
1 1 1  -11   18   71 o   37.319   15.278   9.9883   12.299   9.9883   12.299   0.0000   0.0000   37.319   15.278  ?   ?       ?      ? 
1 1 1  -11   18   72 o   34.385   14.637   6.7999   11.960   6.7999   11.960   0.0000   0.0000   34.385   14.637  ?   ?       ?      ? 
1 1 1  -11   18   73 o   43.394   16.201   18.174   12.799   18.174   12.799   0.0000   0.0000   43.394   16.201  ?   ?       ?      ? 
1 1 1  -11   18   74 o   25.871   12.249  -6.3602   11.422  -6.3602   11.422   0.0000   0.0000   25.871   12.249  ?   ?       ?      ? 
1 1 1  -11   19    1 o  161.574   6.1636  177.475   13.353  189.694   20.692  168.755   17.480  166.188   9.1879  156.959   8.2183 9.228210 12.32716 
1 1 1  -11   19    2 o  141.830   6.3476  137.661   12.134  141.850   18.245  134.340   16.247  143.677   9.3710  139.983   8.5647 3.693863 12.69523 
1 1 1  -11   19    3 o  192.456   6.0355  253.520   15.493  256.051   24.194  251.760   20.171  193.076   9.2469  191.836   7.7591 1.239975 12.07095 
1 1 1  -11   19    4 o  221.396   6.1023  339.463   17.935  317.604   27.817  355.014   23.463  214.942   9.5502  227.850   7.5990 -12.90822 12.20451 
1 1 1  -11   19    5 o  158.220   6.1403  168.863   12.989  188.481   20.474  155.649   16.804  165.688   9.1188  150.751   8.2256 14.93668 12.28060 
1 1 1  -11   19    6 o  141.003   6.5438  139.043   12.260  119.081   18.342  155.164   16.483  131.461   10.296  150.545   8.0796 -19.08348 13.08759 
1 1 1  -11   19    7 o  230.281   6.0644  361.204   18.493  374.424   29.702  352.836   23.632  233.434   9.3893  227.128   7.6778 6.305542 12.12883 
1 1 1  -11   19    8 o  190.534   6.0802  248.229   15.403  252.346   24.333  245.476   19.897  191.639   9.3698  189.428   7.7512 2.210907 12.16034 
1 1 1  -11   19    9 o  160.003   5.3970  175.509   11.664  181.476   16.043  168.816   16.990  162.965   7.2646  157.040   7.9834 5.924576 10.79390 
1 1 1  -11   19   10 o  166.068   5.3515  187.976   12.007  181.072   16.246  196.284   17.824  162.760   7.3659  169.377   7.7653 -6.616608 10.70307 
1 1 1  -11   19   11 o  172.213   5.8522  197.783   11.909  192.352   13.719  214.389   23.990  167.992   6.0263  176.434   10.034 -8.442215 11.70445 
1 1 1  -11   19   12 o  182.952   6.2457  223.542   14.913  208.193   18.464  252.344   25.293  174.414   7.8121  191.489   9.7471 -17.07520 12.49135 
1 1 1  -11   19   13 o   89.258   7.3661   51.838   7.9131   48.476   9.1407   61.893   15.808   84.134   8.0172   94.382   12.360 -10.24730 14.73223 
1 1 1  -11   19   14 o   58.059   9.6217   25.958   6.9304   28.584   8.0502   18.443   13.621   64.491   9.2115   51.628   16.895 12.86256 19.24335 
1 1 1  -11   19   15 o  137.070   6.2465  128.394   10.135  127.755   11.750  130.253   20.033  136.845   6.3359  137.296   10.767 -0.4514465 12.49294 
1 1 1  -11   19   16 o  132.143   8.0650  119.649   14.442  119.649   14.442   0.0000   0.0000  132.143   8.0650  ?   ?       ?      ? 
1 1 1  -11   19   17 o  115.750   7.4665   94.965   10.984  100.212   13.610   85.164   18.601  120.881   8.3084  110.620   12.408 10.26040 14.93307 
1 1 1  -11   19   18 o   46.659   9.7282   16.434   6.6462   19.773   7.8981   8.3327   12.302   52.436   11.437   40.883   15.740 11.55302 19.45635 
1 1 1  -11   19   19 o   42.307   10.337   9.2030   7.3379   3.4467   9.2152   19.177   12.130   32.825   13.305   51.788   15.824 -18.96281 20.67447 
1 1 1  -11   19   20 o   91.138   7.1684   56.321   7.9359   55.044   9.3012   59.740   15.216   89.642   7.6567   92.634   12.121 -2.992523 14.33684 
1 1 1  -11   19   21 o  114.302   6.7770   94.812   9.2525  101.121   11.003   79.574   17.098  121.647   6.6744  106.956   11.797 14.69121 13.55395 
1 1 1  -11   19   22 o  159.694   5.7114  157.494   11.111  137.998   12.814  216.572   22.306  142.097   6.6544  177.291   9.2843 -35.19469 11.42277 
1 1 1  -11   19   23 o  147.249   5.9869  148.504   10.770  147.813   12.721  150.253   20.238  147.099   6.3816  147.400   10.132 -0.3015289 11.97386 
1 1 1  -11   19   24 o   69.912   9.6110   38.796   7.8766   43.664   9.3325   26.741   14.686   79.664   8.6448   60.160   17.168 19.50382 19.22202 
1 1 1  -11   19   25 o   55.100   12.020   21.974   8.7229   21.974   8.7229   0.0000   0.0000   55.100   12.020  ?   ?       ?      ? 
1 1 1  -11   19   26 o  124.841   6.9421  106.756   10.963  104.858   13.259  110.857   19.493  123.556   7.9188  126.126   11.405 -2.570816 13.88427 
1 1 1  -11   19   27 o  133.284   6.2983  117.238   10.912  105.165   13.375  141.274   18.872  123.697   7.9790  142.871   9.7474 -19.17387 12.59666 
1 1 1  -11   19   28 o   84.683   7.8981   51.474   8.6332   55.810   10.982   44.460   13.968   89.908   9.0137   79.458   12.972 10.44950 15.79612 
1 1 1  -11   19   29 o  108.420   6.7899   81.129   9.6250   80.308   12.095   82.546   15.894  107.981   8.2655  108.858   10.775 -0.8775101 13.57974 
1 1 1  -11   19   30 o   83.252   8.6879   52.533   8.8286   61.589   11.304   38.368   14.137   94.422   8.8343   72.081   14.962 22.34054 17.37585 
1 1 1  -11   19   31 o   67.620   9.2820   32.058   8.0291   27.347   10.152   39.929   13.121   61.243   12.651   73.996   13.586 -12.75319 18.56393 
1 1 1  -11   19   32 f   48.237   10.274   15.127   7.4308   8.7176   9.4842   25.315   11.958   38.186   14.003   58.288   15.039 -20.10218 20.54861 
1 1 1  -11   19   33 o   84.382   7.6333   48.116   8.5118   42.600   10.695   57.649   14.059   78.180   10.095   90.585   11.453 -12.40507 15.26666 
1 1 1  -11   19   34 o   53.302   9.8417   21.162   6.9400   21.730   8.4948   20.020   12.035   54.551   11.832   52.053   15.730 2.498001 19.68330 
1 1 1  -11   19   35 o   52.064   9.7021   17.855   6.7582   12.531   8.2287   28.889   11.846   41.888   13.073   62.241   14.340 -20.35294 19.40420 
1 1 1  -11   19   36 o   40.629   9.7019   9.1057   6.3868   4.1159   7.9130   18.432   10.818   31.351   12.458   49.907   14.876 -18.55572 19.40378 
1 1 1  -11   19   37 o   34.487   9.9875   3.9235   7.3881   3.3138   9.8633   4.7030   11.152   33.118   13.634   35.855   14.598 -2.737293 19.97492 
1 1 1  -11   19   38 o   47.696   9.8857   13.994   7.6227   3.1263   9.9858   29.169   11.800   33.068   13.676   62.324   14.278 -29.25538 19.77142 
1 1 1  -11   19   39 f   38.083   9.7675   7.0901   6.4357   2.7823   7.9214   15.455   11.038   29.911   12.255   46.255   15.213 -16.34425 19.53497 
1 1 1  -11   19   40 o   70.311   8.6852   37.634   7.4127   40.859   9.0962   31.260   12.790   76.538   8.7701   64.084   14.994 12.45364 17.37034 
1 1 1  -11   19   41 o  106.165   6.5324   77.132   8.7723   73.954   10.559   84.213   15.761  103.303   7.5428  109.027   10.668 -5.724136 13.06485 
1 1 1  -11   19   42 o   74.916   8.1270   40.292   7.6540   39.587   9.4674   41.623   13.005   75.084   9.3047   74.748   13.327 0.3360367 16.25403 
1 1 1  -11   19   43 o   63.861   10.471   28.968   9.0615   28.968   9.0615   0.0000   0.0000   63.861   10.471  ?   ?       ?      ? 
1 1 1  -11   19   44 o   83.018   8.5108   48.263   9.5748   48.263   9.5748   0.0000   0.0000   83.018   8.5108  ?   ?       ?      ? 
1 1 1  -11   19   45 o   45.763   10.467   14.668   7.0602   12.283   8.5995   19.602   12.366   41.077   13.424   50.450   16.063 -9.373447 20.93358 
1 1 1  -11   19   46 o   39.422   10.189   9.0876   7.7318   16.496   10.479   0.2344   11.455   46.608   14.781   32.235   14.027 14.37219 20.37732 
1 1 1  -11   19   47 o   39.767   10.547   10.196   7.6693   10.798   10.234   9.4259   11.582   39.977   14.563   39.558   15.261 0.4185143 21.09432 
1 1 1  -11   19   48 o   77.927   8.8407   45.825   8.8890   49.043   11.723   41.472   13.634   82.580   10.476   73.274   14.244 9.306465 17.68136 
1 1 1  -11   19   49 o   59.104   9.6867   27.793   7.4551   30.167   9.1201   23.012   12.942   64.712   10.400   53.496   16.345 11.21600 19.37343 
1 1 1  -11   19   50 o   59.196   8.9050   22.476   6.9129   13.277   8.3103   43.144   12.456   41.883   13.148   76.509   12.014 -34.62541 17.81008 
1 1 1  -11   19   51 o   65.300   8.9572   30.243   7.1721   26.163   8.5588   39.865   13.143   59.115   11.091   71.485   14.068 -12.37038 17.91448 
1 1 1  -11   19   52 o   65.614   9.2212   34.893   7.3914   38.358   8.9601   27.515   13.076   73.313   9.0188   57.914   16.087 15.39934 18.44246 
1 1 1  -11   19   53 o   44.475   10.170   12.563   7.6670   3.0306   9.9718   26.347   11.991   31.977   13.476   56.972   15.236 -24.99536 20.34047 
1 1 1  -11   19   54 o   39.606   10.179   9.3871   7.4980   2.2304   10.054   18.357   11.255   31.379   13.390   47.833   15.335 -16.45409 20.35794 
1 1 1  -11   19   55 o   58.186   10.477   26.424   8.3930   18.657   10.984   37.324   13.011   48.081   15.119   68.290   14.507 -20.20938 20.95364 
1 1 1  -11   19   56 o   41.513   10.594   12.884   7.6315   13.915   10.072   11.496   11.695   42.457   14.539   40.569   15.412 1.887897 21.18761 
1 1 1  -11   19   57 o   35.373   10.251   4.8165   8.4587  -5.8191   13.428   11.814   10.891   30.364   14.009   40.381   14.971 -10.01740 20.50287 
1 1 1  -11   19   58 o   42.114   11.710   9.9047   9.5899   21.106   16.236   3.9031   11.885   49.960   18.321   34.269   14.589 15.69077 23.42010 
1 1 1  -11   19   59 o   27.155   12.210  -2.0884   9.3981  -2.0884   9.3981   0.0000   0.0000   27.155   12.210  ?   ?       ?      ? 
1 1 1  -11   19   60 o   40.194   14.221   12.405   9.6788   12.405   9.6788   0.0000   0.0000   40.194   14.221  ?   ?       ?      ? 
1 1 1  -11   19   61 o   29.709   12.737   2.1015   9.1745   2.1015   9.1745   0.0000   0.0000   29.709   12.737  ?   ?       ?      ? 
1 1 1  -11   19   62 o   27.035   12.047  -0.9380   8.9307  -0.9380   8.9307   0.0000   0.0000   27.035   12.047  ?   ?       ?      ? 
1 1 1  -11   19   63 o   27.051   12.047  -0.7403   8.9177  -0.7403   8.9177   0.0000   0.0000   27.051   12.047  ?   ?       ?      ? 
1 1 1  -11   19   64 o   43.536   16.360   15.966   13.093   15.966   13.093   0.0000   0.0000   43.536   16.360  ?   ?       ?      ? 
1 1 1  -11   19   65 o   42.560   16.224   15.274   12.988   15.274   12.988   0.0000   0.0000   42.560   16.224  ?   ?       ?      ? 
1 1 1  -11   19   66 o   50.786   16.915   24.543   13.631   24.543   13.631   0.0000   0.0000   50.786   16.915  ?   ?       ?      ? 
1 1 1  -11   19   67 o   38.962   15.637   12.024   12.592   12.024   12.592   0.0000   0.0000   38.962   15.637  ?   ?       ?      ? 
1 1 1  -11   19   68 o   37.595   15.507   10.716   12.790   10.716   12.790   0.0000   0.0000   37.595   15.507  ?   ?       ?      ? 
1 1 1  -11   19   69 o   34.849   14.965   7.4910   12.701   7.4910   12.701   0.0000   0.0000   34.849   14.965  ?   ?       ?      ? 
1 1 1  -11   19   70 o   35.364   15.022   8.9819   12.549   8.9819   12.549   0.0000   0.0000   35.364   15.022  ?   ?       ?      ? 
1 1 1  -11   20    1 o   80.974   7.2537   45.965   7.8326   48.063   10.354   43.159   11.976   83.359   9.1661   78.588   11.245 4.770737 14.50738 
1 1 1  -11   20    2 o  158.283   5.3448  170.895   11.409  160.034   15.249  184.705   17.195  152.666   7.3710  163.901   7.7419 -11.23434 10.68968 
1 1 1  -11   20    3 o   96.068   6.5277   63.847   8.4310   63.896   11.248   63.785   12.737   96.235   8.6246   95.901   9.8011 0.3340836 13.05545 
1 1 1  -11   20    4 o   92.854   6.7721   60.451   8.3950   65.350   11.266   54.336   12.588   97.344   8.5408   88.364   10.512 8.979500 13.54428 
1 1 1  -11   20    5 o  152.361   5.4352  160.646   11.139  172.547   15.254  147.051   16.303  158.607   7.0971  146.114   8.2338 12.49297 10.87039 
1 1 1  -11   20    6 o  143.018   5.5582  140.466   10.699  138.854   14.286  142.525   16.145  142.203   7.4135  143.834   8.2834 -1.631058 11.11636 
1 1 1  -11   20    7 o   94.427   6.6951   60.970   8.5061   55.427   11.240   68.399   13.013   89.510   9.2661   99.344   9.6662 -9.834160 13.39012 
1 1 1  -11   20    8 o  107.695   6.2851   80.243   9.0764   81.091   12.040   79.127   13.814  108.509   8.1882  106.880   9.5374 1.629684 12.57011 
1 1 1  -11   20    9 o  169.269   5.3188  198.144   12.110  211.747   16.547  182.454   17.771  175.738   6.9482  162.801   8.0550 12.93645 10.63766 
1 1 1  -11   20   10 f   81.269   10.725   48.144   11.328   53.375   17.045   44.005   15.161   85.219   15.323   77.320   15.011 7.899452 21.45042 
1 1 1  -11   20   11 o   78.696   9.5361   48.630   9.0906   58.486   11.496   32.180   14.852   91.936   9.2272   65.457   16.691 26.47894 19.07210 
1 1 1  -11   20   12 o   94.254   7.8339   61.983   9.5588   61.816   11.887   62.289   16.080   94.495   9.2827   94.013   12.622 0.4826431 15.66790 
1 1 1  -11   20   13 o   83.744   7.7084   48.429   7.6140   47.885   8.8059   50.038   15.156   83.425   7.7892   84.064   13.304 -0.6382751 15.41681 
1 1 1  -11   20   14 o   72.262   8.8863   39.142   7.1221   40.776   8.2028   34.137   14.355   76.965   7.8648   67.560   15.938 9.405075 17.77270 
1 1 1  -11   20   15 o  109.851   6.6209   81.369   8.5553   79.136   9.8385   88.294   17.325  107.433   6.7579  112.269   11.388 -4.836189 13.24179 
1 1 1  -11   20   16 o  126.900   6.2503  109.422   9.3700  107.421   10.821  115.417   18.733  125.240   6.3759  128.560   10.752 -3.320160 12.50069 
1 1 1  -11   20   17 o   74.907   8.7087   40.635   7.2882   41.077   8.3827   39.264   14.752   77.197   8.0131   72.618   15.465 4.579727 17.41730 
1 1 1  -11   20   18 o   62.066   9.4257   24.209   6.8214   20.057   7.7766   38.065   14.206   52.569   11.256   71.564   15.122 -18.99557 18.85136 
1 1 1  -11   20   19 o   50.970   11.353   18.904   7.6408   18.904   7.6408   0.0000   0.0000   50.970   11.353  ?   ?       ?      ? 
1 1 1  -11   20   20 o   78.124   8.2528   42.158   8.7371   42.158   8.7371   0.0000   0.0000   78.124   8.2528  ?   ?       ?      ? 
1 1 1  -11   20   21 o   64.386   9.4581   28.822   8.2523   28.822   8.2523   0.0000   0.0000   64.386   9.4581  ?   ?       ?      ? 
1 1 1  -11   20   22 o   57.731   9.6294   27.522   7.2492   32.495   8.5320   14.613   13.746   68.392   9.2059   47.071   16.916 21.32113 19.25889 
1 1 1  -11   20   23 o   95.284   9.5927   63.249   12.386   63.249   12.386   0.0000   0.0000   95.284   9.5927  ?   ?       ?      ? 
1 1 1  -11   20   24 o   52.490   10.463   20.372   7.1153   20.690   8.1935   19.398   14.349   53.173   11.689   51.806   17.356 1.366310 20.92568 
1 1 1  -11   20   25 o   33.967   9.6019   5.0748   6.3877   6.5673   7.5677   1.3765   11.913   33.679   12.481   34.254   14.595 -0.5748787 19.20381 
1 1 1  -11   20   26 o   52.866   9.7332   21.848   6.8026   24.126   8.0920   16.357   12.561   57.745   10.736   47.988   16.238 9.757050 19.46635 
1 1 1  -11   20   27 o   76.460   7.6895   40.565   7.3379   39.561   8.7699   42.909   13.399   75.469   8.5752   77.450   12.766 -1.981514 15.37905 
1 1 1  -11   20   28 o   69.281   8.3685   33.272   7.0869   31.155   8.4467   38.305   13.025   66.792   9.3322   71.770   13.894 -4.977974 16.73707 
1 1 1  -11   20   29 o   73.237   7.6286   34.114   7.0437   28.320   8.3083   48.921   13.282   63.584   9.6423   82.889   11.824 -19.30456 15.25729 
1 1 1  -11   20   30 o   85.986   7.1412   51.902   7.6152   51.736   9.1054   52.286   13.891   86.405   7.7764   85.567   11.980 0.8382034 14.28231 
1 1 1  -11   20   31 o   65.349   8.6856   31.769   6.9359   32.878   8.3920   29.381   12.321   68.580   9.0301   62.119   14.840 6.460724 17.37112 
1 1 1  -11   20   32 o   79.421   7.4408   41.839   7.5396   36.874   9.0331   53.240   13.690   72.548   9.1882   86.294   11.706 -13.74603 14.88160 
1 1 1  -11   20   33 o   54.593   10.436   23.097   8.0711   27.967   10.953   17.312   11.939   60.889   13.616   48.297   15.818 12.59156 20.87126 
1 1 1  -11   20   34 o   41.865   9.9677   10.744   6.5783   6.5503   8.1096   18.812   11.249   33.939   12.848   49.791   15.243 -15.85207 19.93541 
1 1 1  -11   20   35 o   40.985   10.257   10.835   7.1967   7.0728   9.5944   15.675   10.882   35.937   13.882   46.033   15.103 -10.09674 20.51389 
1 1 1  -11   20   36 o   36.149   10.006   6.5660   7.1432   4.2284   9.6868   9.3523   10.575   33.292   13.586   39.007   14.694 -5.714973 20.01255 
1 1 1  -11   20   37 o   49.371   10.422   17.723   7.6239   12.110   10.003   25.504   11.777   41.488   14.474   57.253   15.000 -15.76564 20.84428 
1 1 1  -11   20   38 o   78.244   8.9493   46.789   8.8934   53.990   11.793   37.294   13.542   87.099   9.9913   69.389   14.850 17.71000 17.89856 
1 1 1  -11   20   39 o   43.942   14.827   14.259   10.473   14.259   10.473   0.0000   0.0000   43.942   14.827  ?   ?       ?      ? 
1 1 1  -11   20   40 o   88.869   8.1507   55.449   9.8159   55.449   9.8159   0.0000   0.0000   88.869   8.1507  ?   ?       ?      ? 
1 1 1  -11   20   41 o   41.687   9.0354   13.014   6.7610   21.291   8.3685  -2.5408   11.473   53.050   11.930   30.324   13.573 22.72544 18.07077 
1 1 1  -11   20   42 o  102.421   6.7870   72.694   8.5536   69.694   10.086   80.380   16.144   99.808   7.4568  105.033   11.342 -5.225121 13.57391 
1 1 1  -11   20   43 o   59.040   9.4249   30.178   7.3810   36.970   8.9652   15.891   13.003   72.049   9.1822   46.030   16.462 26.01972 18.84988 
1 1 1  -11   20   44 o   94.738   7.0656   65.028   8.2749   65.734   9.9234   63.416   14.992   96.777   7.5666   92.699   11.935 4.078011 14.13118 
1 1 1  -11   20   45 o  104.417   6.9257   79.858   8.8777   82.131   10.648   74.678   16.078  108.272   7.2574  100.562   11.798 7.710091 13.85143 
1 1 1  -11   20   46 o   70.439   9.1176   38.960   7.7057   40.846   9.2706   34.744   13.860   75.610   9.0479   65.269   15.832 10.34113 18.23519 
1 1 1  -11   20   47 o   57.010   9.8635   23.966   7.1523   20.385   8.6092   31.945   12.850   51.250   12.506   62.770   15.256 -11.52006 19.72694 
1 1 1  -11   20   48 o   47.096   10.309   17.594   7.0444   17.812   8.6228   17.157   12.215   47.654   12.994   46.537   16.009 1.116592 20.61864 
1 1 1  -11   20   49 o   69.210   9.7492   38.629   8.7640   44.107   11.502   31.047   13.532   77.378   10.969   61.041   16.120 16.33696 19.49837 
1 1 1  -11   20   50 o   44.898   10.854   15.676   7.8210   14.382   10.103   17.609   12.354   43.008   14.563   46.788   16.099 -3.779881 21.70855 
1 1 1  -11   20   51 o   53.950   10.251   21.875   7.7555   14.207   9.8381   34.462   12.605   42.675   14.371   65.226   14.622 -22.55067 20.50187 
1 1 1  -11   20   52 o   50.479   11.760   21.785   9.6989   14.623   15.096   26.818   12.657   44.505   17.352   56.452   15.879 -11.94688 23.52033 
1 1 1  -11   20   53 o   44.413   11.340   15.279   9.3307   6.3308   14.381   21.785   12.262   37.971   16.103   50.855   15.972 -12.88444 22.68066 
1 1 1  -11   20   54 o   25.282   8.3349  -6.3731   6.8929  -6.9709   9.0616  -5.5522   10.618   23.771   11.147   26.792   12.395 -3.021080 16.66979 
1 1 1  -11   20   55 o   33.145   13.424   5.7916   9.3730   5.7916   9.3730   0.0000   0.0000   33.145   13.424  ?   ?       ?      ? 
1 1 1  -11   20   56 o   22.174   10.568  -9.1090   8.7880  -9.1090   8.7880   0.0000   0.0000   22.174   10.568  ?   ?       ?      ? 
1 1 1  -11   20   57 o   33.769   13.609   6.5303   9.5819   6.5303   9.5819   0.0000   0.0000   33.769   13.609  ?   ?       ?      ? 
1 1 1  -11   20   58 f   82.852   14.944   57.563   16.161   57.563   16.161   0.0000   0.0000   82.852   14.944  ?   ?       ?      ? 
1 1 1  -11   20   59 o   65.687   16.963   39.293   15.204   39.293   15.204   0.0000   0.0000   65.687   16.963  ?   ?       ?      ? 
1 1 1  -11   20   60 o   36.113   15.211   7.3262   12.692   7.3262   12.692   0.0000   0.0000   36.113   15.211  ?   ?       ?      ? 
1 1 1  -11   20   61 o   29.649   13.584  -2.3720   12.327  -2.3720   12.327   0.0000   0.0000   29.649   13.584  ?   ?       ?      ? 
1 1 1  -11   20   62 o   41.073   16.136   14.349   13.134   14.349   13.134   0.0000   0.0000   41.073   16.136  ?   ?       ?      ? 
1 1 1  -11   20   63 o   46.604   16.562   21.001   13.142   21.001   13.142   0.0000   0.0000   46.604   16.562  ?   ?       ?      ? 
1 1 1  -11   20   64 o   21.295   10.502 -17.7922   10.872 -17.7922   10.872   0.0000   0.0000   21.295   10.502  ?   ?       ?      ? 
1 1 1  -11   20   65 f   48.288   16.596   23.873   13.126   23.873   13.126   0.0000   0.0000   48.288   16.596  ?   ?       ?      ? 
1 1 1  -11   20   66 o   29.756   13.571   0.6105   12.121   0.6105   12.121   0.0000   0.0000   29.756   13.571  ?   ?       ?      ? 
1 1 1  -11   21    1 o   48.983   9.5687   17.280   6.4976   14.079   8.3656   22.149   10.316   43.766   13.090   54.200   13.960 -10.43377 19.13734 
1 1 1  -11   21    2 o   52.953   9.3153   21.810   6.7285   25.910   8.6882   15.666   10.635   59.601   11.167   46.305   14.913 13.29649 18.63057 
1 1 1  -11   21    3 o   46.658   11.202   15.386   8.2616   16.164   13.554   14.926   10.421   47.935   16.842   45.382   14.775 2.553406 22.40386 
1 1 1  -11   21    4 o   48.551   10.571   13.104   8.2743   31.391   13.806   2.8533   10.336   63.896   15.984   33.206   13.839 30.68983 21.14256 
1 1 1  -11   21    5 o   59.422   10.727   28.362   8.8099   18.906   14.429   33.982   11.124   50.909   17.403   67.935   12.546 -17.02602 21.45332 
1 1 1  -11   21    6 o   62.086   8.9635   30.195   7.2768   38.631   9.5733   18.650   11.199   74.259   9.5132   49.913   15.195 24.34594 17.92691 
1 1 1  -11   21    7 o   61.975   8.7822   28.481   7.1026   30.653   9.2766   25.403   11.042   65.941   10.381   58.009   14.168 7.932346 17.56437 
1 1 1  -11   21    8 o   48.456   9.8980   17.003   6.7733   14.456   8.7224   20.872   10.750   44.348   13.390   52.564   14.581 -8.216419 19.79590 
1 1 1  -11   21    9 o   47.091   9.4648   17.069   6.6632   22.159   8.5921   9.3891   10.554   54.784   11.913   39.397   14.711 15.38641 18.92969 
1 1 1  -11   21   10 o   54.339   10.001   20.807   6.5725   19.536   7.4892   25.065   13.710   51.621   11.040   57.057   16.680 -5.436325 20.00252 
1 1 1  -11   21   11 o   53.450   9.8813   17.393   6.3715   13.330   7.2158   31.771   13.574   42.562   11.996   64.337   15.706 -21.77487 19.76263 
1 1 1  -11   21   12 o   46.303   10.060   15.573   6.3467   15.744   7.2985   15.043   12.853   46.139   11.666   46.466   16.393 -0.3268700 20.12074 
1 1 1  -11   21   13 o   50.228   10.150   14.858   6.4585   10.589   7.3370   29.551   13.612   38.596   12.382   61.860   16.087 -23.26382 20.30021 
1 1 1  -11   21   14 o   85.460   7.3996   50.551   8.5695   50.551   8.5695   0.0000   0.0000   85.460   7.3996  ?   ?       ?      ? 
1 1 1  -11   21   15 o   98.122   6.8962   66.470   9.1697   66.470   9.1697   0.0000   0.0000   98.122   6.8962  ?   ?       ?      ? 
1 1 1  -11   21   16 o   67.754   9.3808   37.359   7.2088   40.964   8.3578   26.883   14.247   76.762   8.0346   58.745   16.954 18.01652 18.76158 
1 1 1  -11   21   17 o   56.300   9.6035   22.309   6.6530   20.162   7.8006   28.040   12.743   52.282   11.337   60.319   15.504 -8.036644 19.20694 
1 1 1  -11   21   18 o   46.629   9.6949   16.758   6.4091   18.577   7.6649   12.532   11.685   50.076   11.533   43.182   15.587 6.893951 19.38987 
1 1 1  -11   21   19 o   69.706   8.8250   37.884   7.0964   40.743   8.3830   30.655   13.330   76.494   8.0871   62.919   15.688 13.57499 17.64999 
1 1 1  -11   21   20 o   46.912   9.8510   16.889   6.4271   18.207   7.5113   13.286   12.418   49.556   11.420   44.269   16.055 5.286976 19.70196 
1 1 1  -11   21   21 o   81.970   8.0558   49.807   7.5532   51.244   8.8556   45.971   14.469   85.880   7.6092   78.060   14.202 7.820595 16.11161 
1 1 1  -11   21   22 f   66.758   8.9264   31.462   7.1541   29.617   8.4002   36.334   13.650   64.799   9.5661   68.716   15.073 -3.916824 17.85275 
1 1 1  -11   21   23 o  106.372   6.7349   78.073   8.5299   76.146   9.8886   83.675   16.862  104.854   6.9593  107.891   11.533 -3.036728 13.46987 
1 1 1  -11   21   24 o   82.093   8.1187   50.017   7.6711   51.333   9.0184   46.573   14.589   85.841   7.7527   78.346   14.267 7.495224 16.23742 
1 1 1  -11   21   25 o   49.889   9.6464   20.268   6.7203   23.532   8.0157   12.544   12.329   56.541   10.856   43.236   15.948 13.30477 19.29276 
1 1 1  -11   21   26 o   38.940   9.3670   10.968   6.2827   14.874   7.4618   1.4541   11.645   44.511   12.068   33.369   14.329 11.14187 18.73392 
1 1 1  -11   21   27 o   95.813   6.8645   60.975   8.0984   55.633   9.4640   75.582   15.650   89.245   7.8255  102.381   11.280 -13.13612 13.72891 
1 1 1  -11   21   28 o   49.581   10.995   18.996   8.1229   19.265   10.399   18.575   13.009   49.919   14.508   49.244   16.526 0.6746330 21.99038 
1 1 1  -11   21   29 o   55.606   10.871   22.860   8.4417   16.573   10.731   33.069   13.674   46.625   14.976   64.587   15.762 -17.96153 21.74183 
1 1 1  -11   21   30 o   56.796   14.285   25.144   10.984   25.144   10.984   0.0000   0.0000   56.796   14.285  ?   ?       ?      ? 
1 1 1  -11   21   31 o   58.146   13.820   26.217   10.729   26.217   10.729   0.0000   0.0000   58.146   13.820  ?   ?       ?      ? 
1 1 1  -11   21   32 o   31.640   9.2680   3.6289   6.3376   5.7292   7.5685  -1.2998   11.594   32.070   12.346   31.209   13.826 0.8614120 18.53608 
1 1 1  -11   21   33 o   29.223   8.8515  -1.7181   6.0119  -5.9017   7.2554   7.4475   10.739   21.608   10.081   36.838   14.552 -15.23046 17.70296 
1 1 1  -11   21   34 o   43.119   9.0216   15.108   6.4592   21.389   7.8211   1.6345   11.455   53.360   11.174   32.878   14.167 20.48161 18.04322 
1 1 1  -11   21   35 o   37.682   12.703   10.290   7.6873   10.290   7.6873   0.0000   0.0000   37.682   12.703  ?   ?       ?      ? 
1 1 1  -11   21   36 o   41.065   12.693   12.789   7.7789   12.789   7.7789   0.0000   0.0000   41.065   12.693  ?   ?       ?      ? 
1 1 1  -11   21   37 o   31.997   9.2966   2.8150   6.1045   0.1315   7.3588   8.7364   10.931   26.063   11.292   37.931   14.772 -11.86795 18.59326 
1 1 1  -11   21   38 o   36.850   9.8085   7.9246   6.2295   5.9563   7.4564   12.474   11.336   31.994   12.270   41.705   15.306 -9.711462 19.61694 
1 1 1  -11   21   39 o   37.661   9.8644   9.3137   6.3226   8.6675   7.6155   10.747   11.342   35.367   12.604   39.956   15.178 -4.589867 19.72882 
1 1 1  -11   21   40 o   74.577   7.8567   39.346   7.3802   36.722   8.8220   45.464   13.471   71.576   9.0954   77.579   12.814 -6.002922 15.71347 
1 1 1  -11   21   41 o   66.303   8.8524   32.736   7.2044   31.353   8.6368   35.899   13.062   65.851   9.6785   66.755   14.825 -0.9041824 17.70481 
1 1 1  -11   21   42 o   68.859   9.1782   39.376   7.5323   43.953   9.0987   29.407   13.428   78.464   8.5571   59.255   16.240 19.20878 18.35641 
1 1 1  -11   21   43 o   38.599   9.0940   10.858   6.6717   18.022   8.0933  -4.3338   11.786   48.012   12.364   29.186   13.339 18.82586 18.18797 
1 1 1  -11   21   44 o   47.298   10.306   17.630   6.8966   17.022   8.2705   19.017   12.495   46.472   12.749   48.123   16.196 -1.650932 20.61159 
1 1 1  -11   21   45 o   50.448   10.915   20.372   8.1290   16.181   10.591   26.382   12.682   44.936   14.907   55.960   15.948 -11.02452 21.83072 
1 1 1  -11   21   46 o   44.712   10.611   16.198   7.7664   19.392   10.190   11.770   11.997   48.736   14.418   40.689   15.573 8.047043 21.22233 
1 1 1  -11   21   47 o   36.156   14.847   6.8416   11.659   0.0000   0.0000   6.8416   11.659  ?   ?    36.156   14.847      ?      ? 
1 1 1  -11   21   48 o   35.662   10.471   5.5605   8.6575  -1.6617   13.399   10.737   11.344   32.142   14.503   39.183   15.106 -7.041191 20.94151 
1 1 1  -11   21   49 o   43.346   10.633   14.492   7.4913   11.617   9.5518   19.088   12.075   39.157   14.098   47.535   15.921 -8.377602 21.26606 
1 1 1  -11   21   50 o   60.197   10.226   29.193   8.0795   25.385   10.271   35.373   13.085   55.633   13.712   64.761   15.175 -9.128162 20.45255 
1 1 1  -11   21   51 o   43.858   16.670   15.621   13.686   15.621   13.686   0.0000   0.0000   43.858   16.670  ?   ?       ?      ? 
1 1 1  -11   21   52 o   46.853   16.933   19.258   13.796   19.258   13.796   0.0000   0.0000   46.853   16.933  ?   ?       ?      ? 
1 1 1  -11   21   53 o   54.534   17.069   27.484   14.017   27.484   14.017   0.0000   0.0000   54.534   17.069  ?   ?       ?      ? 
1 1 1  -11   21   54 o   38.884   15.810   10.712   13.059   10.712   13.059   0.0000   0.0000   38.884   15.810  ?   ?       ?      ? 
1 1 1  -11   21   55 o   36.649   15.190   8.5786   12.357   8.5786   12.357   0.0000   0.0000   36.649   15.190  ?   ?       ?      ? 
1 1 1  -11   21   56 o   30.146   13.702  -1.0098   12.223  -1.0098   12.223   0.0000   0.0000   30.146   13.702  ?   ?       ?      ? 
1 1 1  -11   21   57 o   34.421   14.847   5.9626   12.607   5.9626   12.607   0.0000   0.0000   34.421   14.847  ?   ?       ?      ? 
1 1 1  -11   21   58 o   28.628   13.099  -1.5799   11.411  -1.5799   11.411   0.0000   0.0000   28.628   13.099  ?   ?       ?      ? 
1 1 1  -11   21   59 o   24.563   11.802 -10.1722   11.450 -10.1722   11.450   0.0000   0.0000   24.563   11.802  ?   ?       ?      ? 
1 1 1  -11   21   60 o   28.434   13.132  -1.9190   11.844  -1.9190   11.844   0.0000   0.0000   28.434   13.132  ?   ?       ?      ? 
1 1 1  -11   22    1 o   56.532   9.1864   23.760   6.7471   21.064   8.5577   28.189   10.969   52.667   12.226   60.397   13.715 -7.729649 18.37274 
1 1 1  -11   22    2 o   62.048   8.8811   29.968   7.0917   33.637   9.0678   24.191   11.380   68.667   9.7447   55.430   14.850 13.23709 17.76211 
1 1 1  -11   22    3 o   63.757   8.6787   30.175   7.0861   28.489   9.0586   32.833   11.375   61.949   11.203   65.565   13.258 -3.615963 17.35741 
1 1 1  -11   22    4 o   32.332   8.2613   2.8310   6.1677   13.690   7.7453 -15.9880   10.196   42.589   12.562   22.075   10.733 20.51378 16.52266 
1 1 1  -11   22    5 o   34.802   9.5046   6.9129   6.2853   7.8526   7.9647   5.3615   10.233   34.982   12.831   34.622   14.025 0.3603668 19.00929 
1 1 1  -11   22    6 o   40.355   9.6741   11.941   6.5296   15.218   8.2123   6.3081   10.767   44.720   12.862   35.991   14.454 8.729248 19.34820 
1 1 1  -11   22    7 o   37.812   10.874   6.1836   7.1000   5.2597   7.8565   10.301   16.584   31.923   12.498   43.701   17.798 -11.77779 21.74808 
1 1 1  -11   22    8 o   69.434   10.742   38.152   8.2815   38.751   9.2794   35.807   18.358   73.885   9.2679   64.984   19.381 8.900391 21.48305 
1 1 1  -11   22    9 o   79.354   9.1826   44.669   9.8746   44.669   9.8746   0.0000   0.0000   79.354   9.1826  ?   ?       ?      ? 
1 1 1  -11   22   10 o   57.720   9.5808   28.704   6.7454   31.996   7.6566   17.290   14.257   67.408   8.3819   48.032   17.231 19.37598 19.16152 
1 1 1  -11   22   11 o   36.744   9.9348   6.0345   5.8891   3.7760   6.6393   14.368   12.754   28.749   11.415   44.738   16.263 -15.98907 19.86959 
1 1 1  -11   22   12 f   44.669   9.5058   16.259   6.1837   18.824   7.0750   7.9583   12.727   50.270   10.713   39.067   15.706 11.20373 19.01161 
1 1 1  -11   22   13 o   35.046   9.7050   6.9373   6.2290   8.1086   7.1588   3.2860   12.639   34.629   12.233   35.463   15.070 -0.8339500 19.41003 
1 1 1  -11   22   14 o   61.627   9.0794   22.317   6.4472   16.062   7.2554   45.791   14.056   46.078   11.621   77.176   13.953 -31.09806 18.15881 
1 1 1  -11   22   15 o   67.862   9.2483   35.675   7.0650   36.539   8.1102   32.956   14.388   72.009   8.3111   63.715   16.524 8.293907 18.49651 
1 1 1  -11   22   16 o   49.844   10.231   16.390   6.4802   13.065   7.3973   27.361   13.437   41.593   12.278   58.094   16.368 -16.50097 20.46124 
1 1 1  -11   22   17 o   49.399   8.8799   21.769   6.5261   27.680   7.5377   4.0736   13.042   62.470   8.9040   36.328   15.366 26.14183 17.75978 
1 1 1  -11   22   18 o   41.573   9.1641   14.032   6.2940   18.599   7.2843   0.5760   12.503   49.741   11.090   33.405   14.593 16.33559 18.32825 
1 1 1  -11   22   19 o   48.281   9.4047   19.385   6.2780   22.106   7.3359   11.935   12.136   54.654   10.282   41.908   15.750 12.74670 18.80943 
1 1 1  -11   22   20 o   30.651   9.0503   3.3100   5.8176   4.5669   6.7379  -0.3716   11.532   29.697   11.588   31.604   13.905 -1.907755 18.10057 
1 1 1  -11   22   21 o   54.319   8.5768   14.965   6.2762   5.6528   7.2118   44.030   12.741   31.498   12.070   77.139   12.189 -45.64043 17.15359 
1 1 1  -11   22   22 o   40.200   9.5879   12.310   6.4861   15.825   7.7428   4.0385   11.877   45.413   12.285   34.987   14.724 10.42583 19.17577 
1 1 1  -11   22   23 o   59.621   10.418   28.222   8.2361   27.895   10.564   28.728   13.153   59.896   13.355   59.347   15.993 0.5487633 20.83597 
1 1 1  -11   22   24 o   47.727   9.2036   17.275   8.0099   32.369   10.384  -4.9022   12.587   65.263   12.189   30.191   13.793 35.07165 18.40729 
1 1 1  -11   22   25 o   41.151   9.9069   12.675   6.3173   13.512   7.4137   10.454   12.070   42.036   12.259   40.266   15.566 1.769661 19.81388 
1 1 1  -11   22   26 o   46.352   9.9512   17.147   6.4890   18.241   7.5434   14.034   12.726   48.880   11.568   43.824   16.195 5.056606 19.90245 
1 1 1  -11   22   27 o   37.486   9.6064   9.9787   6.1774   11.975   7.1736   4.2516   12.151   39.739   12.174   35.234   14.864 4.505287 19.21287 
1 1 1  -11   22   28 o   27.812   8.6793  -0.1698   5.9895   1.0376   7.0915  -3.1745   11.187   26.385   11.252   29.240   13.218 -2.854599 17.35851 
1 1 1  -11   22   29 o   39.999   9.3897   12.541   6.3437   16.396   7.4957   2.8098   11.909   46.116   11.911   33.883   14.519 12.23351 18.77930 
1 1 1  -11   22   30 o   57.326   10.633   24.637   7.9562   24.637   7.9562   0.0000   0.0000   57.326   10.633  ?   ?       ?      ? 
1 1 1  -11   22   31 o   51.280   11.350   20.087   7.6787   20.087   7.6787   0.0000   0.0000   51.280   11.350  ?   ?       ?      ? 
1 1 1  -11   22   32 o   46.726   9.3720   18.918   6.4941   22.907   7.6004   8.1278   12.500   55.210   10.543   38.242   15.498 16.96800 18.74400 
1 1 1  -11   22   33 o   43.659   10.109   14.180   6.3939   13.077   7.5294   17.033   12.108   41.139   12.445   46.180   15.935 -5.041382 20.21861 
1 1 1  -11   22   34 f   57.315   9.5352   25.084   6.7643   23.602   8.0107   28.766   12.627   55.763   10.992   58.866   15.584 -3.102501 19.07050 
1 1 1  -11   22   35 o   41.194   9.6332   8.4153   6.3586   1.7210   7.5369   24.947   11.844   27.521   11.664   54.866   15.335 -27.34527 19.26642 
1 1 1  -11   22   36 o   46.688   9.1759   19.028   6.6245   24.779   7.9908   6.3877   11.846   57.251   10.693   36.125   14.915 21.12554 18.35173 
1 1 1  -11   22   37 o   53.140   9.8748   20.677   6.8285   16.303   8.1934   30.627   12.356   45.385   12.779   60.896   15.058 -15.51121 19.74959 
1 1 1  -11   22   38 o   24.209   11.322  -6.7388   9.2416  -6.7388   9.2416   0.0000   0.0000   24.209   11.322  ?   ?       ?      ? 
1 1 1  -11   22   39 o   19.829   9.5442  -9.8464   7.5670  -9.8464   7.5670   0.0000   0.0000   19.829   9.5442  ?   ?       ?      ? 
1 1 1  -11   22   40 o   49.398   9.7286   21.376   6.8386   24.601   8.0786   13.220   12.846   56.716   10.907   42.080   16.113 14.63552 19.45713 
1 1 1  -11   22   41 o   32.659   9.6632   1.2970   8.1590 -13.5171   12.888   11.206   10.540   26.186   12.566   39.132   14.684 -12.94619 19.32648 
1 1 1  -11   22   42 o   52.317   15.841   23.618   12.195   0.0000   0.0000   23.618   12.195  ?   ?    52.317   15.841      ?      ? 
1 1 1  -11   22   43 o   45.551   10.260   15.301   9.1738  -5.8848   14.074   30.953   12.097   30.499   14.166   60.603   14.847 -30.10351 20.52049 
1 1 1  -11   22   44 o   43.082   11.281   15.052   9.0204   9.4785   13.755   19.258   11.949   38.919   16.070   47.245   15.838 -8.325565 22.56301 
1 1 1  -11   22   45 o   43.521   11.078   15.223   9.1355   4.7510   13.821   23.349   12.174   35.621   15.454   51.422   15.877 -15.80127 22.15607 
1 1 1  -11   22   46 o   38.502   10.707   9.9044   8.7769   0.9040   13.394   16.678   11.619   32.842   14.685   44.161   15.586 -11.31947 21.41443 
1 1 1  -11   22   47 o   38.014   15.816   9.2462   13.469   9.2462   13.469   0.0000   0.0000   38.014   15.816  ?   ?       ?      ? 
1 1 1  -11   22   48 o   35.790   15.190   6.9456   12.814   6.9456   12.814   0.0000   0.0000   35.790   15.190  ?   ?       ?      ? 
1 1 1  -11   22   49 o   44.673   16.423   18.110   13.058   18.110   13.058   0.0000   0.0000   44.673   16.423  ?   ?       ?      ? 
1 1 1  -11   22   50 o   25.536   12.202  -9.9109   11.871  -9.9109   11.871   0.0000   0.0000   25.536   12.202  ?   ?       ?      ? 
1 1 1  -11   22   51 o   55.748   16.876   30.402   13.843   30.402   13.843   0.0000   0.0000   55.748   16.876  ?   ?       ?      ? 
1 1 1  -11   22   52 o   32.111   14.260   3.0818   12.405   3.0818   12.405   0.0000   0.0000   32.111   14.260  ?   ?       ?      ? 
1 1 1  -11   22   53 o   52.700   16.804   28.168   13.529   28.168   13.529   0.0000   0.0000   52.700   16.804  ?   ?       ?      ? 
1 1 1  -11   23    1 o   39.004   9.4885   8.5414   8.0435   20.843   9.8380 -16.2618   13.970   51.080   13.860   26.928   12.963 24.15240 18.97707 
1 1 1  -11   23    2 o   29.297   9.0379  -0.2653   6.8984   3.5684   9.6294  -4.3073   9.8874   31.894   13.330   26.701   12.209 5.193350 18.07580 
1 1 1  -11   23    3 o   26.028   8.4204  -4.3071   6.6666  -3.6267   9.2182  -5.0531   9.6527   26.125   11.884   25.930   11.932 0.1946278 16.84070 
1 1 1  -11   23    4 o   37.551   9.5641   7.8484   7.0306   17.395   9.9291  -1.7512   9.9566   46.722   14.324   28.380   12.678 18.34200 19.12826 
1 1 1  -11   23    5 o   34.251   9.6500   5.4147   6.9475   0.6602   9.6265   10.583   10.037   29.609   12.872   38.893   14.381 -9.283754 19.30004 
1 1 1  -11   23    6 o   40.828   9.8094   11.735   6.9893   18.985   9.8653   4.4275   9.9035   48.728   14.121   32.927   13.619 15.80126 19.61877 
1 1 1  -11   23    7 o   49.997   10.182   20.168   7.3489   16.993   10.581   23.128   10.215   46.187   14.874   53.808   13.908 -7.620453 20.36337 
1 1 1  -11   23    8 o   40.516   10.211   12.109   7.0718   11.533   10.013   12.681   9.9893   39.889   14.424   41.143   14.458 -1.253670 20.42271 
1 1 1  -11   23    9 o   33.284   9.2177   5.8660   6.4483   10.256   7.6956  -4.4815   11.814   37.350   12.710   29.218   13.354 8.131521 18.43546 
1 1 1  -11   23   10 o   50.481   10.371   18.083   7.0084   13.906   8.2788   28.647   13.166   42.332   13.096   58.630   16.086 -16.29792 20.74285 
1 1 1  -11   23   11 o   42.905   10.143   14.607   6.9316   16.742   8.2936   9.6617   12.624   46.213   12.803   39.597   15.735 6.616531 20.28542 
1 1 1  -11   23   12 o   39.260   9.6654   11.506   6.9659   16.604   8.2877  -0.7649   12.857   46.015   12.816   32.505   14.472 13.50905 19.33084 
1 1 1  -11   23   13 o   40.553   10.045   12.547   6.8831   14.985   8.2850   7.1147   12.367   43.769   13.012   37.338   15.307 6.430412 20.09034 
1 1 1  -11   23   14 f   33.977   9.5226   6.3060   6.6660   9.5734   8.0179  -1.0074   11.996   36.587   12.944   31.367   13.971 5.219830 19.04518 
1 1 1  -11   23   15 o   29.106   8.9035  -5.0022   6.3676 -11.5648   7.6506   9.7924   11.487   19.303   9.3649   38.910   15.145 -19.60768 17.80690 
1 1 1  -11   23   16 o   39.441   10.254   11.233   7.1752   13.071   8.8196   7.6348   12.339   41.214   13.600   37.669   15.348 3.545197 20.50715 
1 1 1  -11   23   17 o   61.032   10.296   28.176   9.7294   52.151   14.677   9.3816   12.995   82.565   13.118   39.500   15.874 43.06469 20.59244 
1 1 1  -11   23   18 o   44.944   10.645   13.457   9.0787  -1.9729   13.042   27.962   12.645   31.936   14.369   57.953   15.708 -26.01658 21.28917 
1 1 1  -11   23   19 o   36.903   10.115   6.4715   6.8932   2.4219   8.2921   15.530   12.402   29.193   12.295   44.613   16.064 -15.42005 20.22930 
1 1 1  -11   23   20 o   38.201   9.7412   10.547   6.8554   14.652   8.3504   2.0579   12.007   43.187   13.115   33.216   14.407 9.971134 19.48249 
1 1 1  -11   23   21 o   58.508   9.9606   24.064   7.5597   16.289   9.0914   41.484   13.609   45.223   13.673   71.793   14.488 -26.56974 19.92123 
1 1 1  -11   23   22 o   46.525   10.525   17.500   7.3257   17.867   9.0147   16.787   12.571   47.286   13.436   45.764   16.205 1.522106 21.05072 
1 1 1  -11   23   23 o   38.198   9.9258   4.6948   7.2039  -3.8459   8.8017   22.026   12.538   25.223   11.527   51.173   16.162 -25.95019 19.85158 
1 1 1  -11   23   24 o   54.985   10.478   25.771   7.9205   28.195   9.7205   20.982   13.663   60.135   12.342   49.834   16.935 10.30083 20.95516 
1 1 1  -11   23   25 o   73.550   10.616   40.000   10.581   40.000   10.581   0.0000   0.0000   73.550   10.616  ?   ?       ?      ? 
1 1 1  -11   23   26 o   50.666   13.487   20.693   9.4241   20.693   9.4241   0.0000   0.0000   50.666   13.487  ?   ?       ?      ? 
1 1 1  -11   23   27 o   41.130   9.4413   12.829   7.3932   21.826   9.1401  -4.1971   12.574   52.284   12.964   29.976   13.729 22.30809 18.88255 
1 1 1  -11   23   28 o   59.455   9.8226   24.699   7.7776   14.158   9.4437   46.923   13.712   42.237   14.080   76.674   13.700 -34.43754 19.64517 
1 1 1  -11   23   29 o   31.647   8.9397   1.4294   7.1451   12.219   8.9794 -17.1940   11.797   39.773   13.723   23.521   11.461 16.25114 17.87933 
1 1 1  -11   23   30 o   45.944   10.711   16.883   7.5255   14.798   9.4544   20.489   12.432   42.889   14.078   49.000   16.146 -6.110645 21.42169 
1 1 1  -11   23   31 o   47.180   10.504   18.836   7.5166   20.561   9.4840   15.923   12.326   50.128   13.611   44.233   16.002 5.895885 21.00774 
1 1 1  -11   23   32 o   60.800   9.8581   30.627   7.8224   31.793   10.015   28.804   12.527   63.686   12.046   57.913   15.609 5.773270 19.71619 
1 1 1  -11   23   33 o   49.807   10.605   20.017   7.6434   15.656   9.7144   27.106   12.384   43.663   14.267   55.951   15.696 -12.28765 21.21091 
1 1 1  -11   23   34 o   35.377   9.5543   7.5055   7.0698   14.173   9.2178  -2.0204   11.018   41.793   13.909   28.961   13.102 12.83180 19.10866 
1 1 1  -11   23   35 o   33.150   9.7023   5.2829   7.2734   8.5382   9.3114   0.1878   11.649   35.388   13.674   30.912   13.768 4.475590 19.40457 
1 1 1  -11   23   36 o   31.751   13.802   2.5427   11.067   0.0000   0.0000   2.5427   11.067  ?   ?    31.751   13.802      ?      ? 
1 1 1  -11   23   37 o   41.786   15.749   14.228   12.152   0.0000   0.0000   14.228   12.152  ?   ?    41.786   15.749      ?      ? 
1 1 1  -11   23   38 o   40.947   10.678   12.600   8.8328   0.1376   13.593   21.707   11.620   32.471   14.634   49.424   15.553 -16.95355 21.35511 
1 1 1  -11   23   39 o   29.354   9.3205  -3.1398   8.3899 -16.9840   13.345   5.9093   10.789   25.053   12.203   33.655   14.092 -8.602121 18.64103 
1 1 1  -11   23   40 o   32.939   10.073   3.2693   8.5824  -4.0550   13.057   8.8403   11.388   29.602   13.712   36.275   14.759 -6.672871 20.14552 
1 1 1  -11   23   41 o   59.816   11.941   33.722   10.056   36.222   15.099   31.731   13.481   61.310   17.378   58.323   16.381 2.987331 23.88164 
1 1 1  -11   23   42 o   42.805   11.162   15.924   9.2193   6.6174   13.812   23.403   12.381   35.721   15.473   49.889   16.093 -14.16817 22.32466 
1 1 1  -11   23   43 o   34.590   15.107   5.5568   13.394   5.5568   13.394   0.0000   0.0000   34.590   15.107  ?   ?       ?      ? 
1 1 1  -11   23   44 o   42.851   16.680   17.209   13.932   17.209   13.932   0.0000   0.0000   42.851   16.680  ?   ?       ?      ? 
1 1 1  -11   24    1 o   37.901   10.891   8.7175   8.6457   7.5254   11.282   10.413   13.457   36.068   14.684   39.733   16.088 -3.664257 21.78150 
1 1 1  -11   24    2 o   33.662   10.275   2.1082   8.5332  -2.5713   11.131   8.7797   13.290   28.907   13.115   38.418   15.822 -9.510923 20.55094 
1 1 1  -11   24    3 f   46.835   11.665   18.519   9.1584   17.258   12.306   20.084   13.712   45.474   16.041   48.196   16.939 -2.721928 23.32921 
1 1 1  -11   24    4 o   63.985   11.127   35.331   9.6262   38.995   13.164   31.121   14.112   68.665   14.597   59.305   16.797 9.360081 22.25332 
1 1 1  -11   24    5 o   33.839   10.154   4.0590   8.2396   7.7497   11.277  -0.1685   12.069   36.281   14.714   31.396   13.996 4.884518 20.30754 
1 1 1  -11   24    6 o   35.323   10.355   6.2074   8.1123   4.4237   11.042   8.2992   11.958   33.442   14.142   37.205   15.129 -3.762970 20.70923 
1 1 1  -11   24    7 o   58.942   10.975   30.226   9.2390   38.775   12.800   20.927   13.349   68.806   14.198   49.077   16.739 19.72967 21.94979 
1 1 1  -11   24    8 o   50.754   10.798   21.546   8.9895   33.464   12.530   8.9033   12.905   63.222   14.873   38.285   15.659 24.93696 21.59656 
1 1 1  -11   24    9 o   26.407   8.7191  -7.5898   7.7899  -2.6055   11.107 -12.4143   10.928   28.860   13.096   23.954   11.515 4.905943 17.43829 
1 1 1  -11   24   10 o   31.291   13.761   1.0534   11.284   0.0000   0.0000   1.0534   11.284  ?   ?    31.291   13.761      ?      ? 
1 1 1  -11   24   11 o   53.846   16.219   25.355   12.809   0.0000   0.0000   25.355   12.809  ?   ?    53.846   16.219      ?      ? 
1 1 1  -11   24   12 o   46.062   11.518   17.908   8.9639   18.302   13.125   17.563   12.272   46.425   16.546   45.700   16.027 0.7250633 23.03544 
1 1 1  -11   24   13 o   35.111   10.361   5.8795   8.3021   2.6467   12.169   8.6947   11.356   33.175   14.447   37.046   14.856 -3.871181 20.72205 
1 1 1  -11   24   14 o   46.339   10.903   17.281   8.8137   6.7161   12.588   27.440   12.344   36.312   15.214   56.366   15.620 -20.05357 21.80506 
1 1 1  -11   24   15 o   50.684   10.984   20.522   9.0800   35.154   13.581   8.6939   12.210   63.839   15.787   37.529   15.277 26.30959 21.96851 
1 1 1  -11   24   16 f   37.235   10.450   6.4909   8.3086   17.324   12.663  -1.6978   11.010   45.304   16.241   29.166   13.155 16.13875 20.90030 
1 1 1  -11   24   17 o   44.400   10.990   14.799   8.5794   25.406   13.053   6.7314   11.384   53.479   16.427   35.320   14.605 18.15944 21.98080 
1 1 1  -11   24   18 o   42.012   11.060   14.123   8.4253   13.502   12.344   14.664   11.528   41.551   15.822   42.473   15.459 -0.9220848 22.12038 
1 1 1  -11   24   19 o   49.002   16.291   21.173   12.646   21.173   12.646   0.0000   0.0000   49.002   16.291  ?   ?       ?      ? 
1 1 1  -11   24   20 o   28.353   13.096  -4.6496   11.783  -4.6496   11.783   0.0000   0.0000   28.353   13.096  ?   ?       ?      ? 
1 1 1  -11   24   21 f   32.765   10.106   2.5702   8.4641   4.9564   12.277   0.4089   11.685   34.521   14.766   31.009   13.801 3.512356 20.21154 
1 1 1  -11   24   22 o   25.655   8.5514  -7.9697   7.7464 -13.8622   12.343  -4.1410   9.9497   25.065   12.096   26.245   12.091 -1.179575 17.10279 
1 1 1  -11   24   23 o   38.601   10.769   10.189   8.3323   15.092   12.608   6.3868   11.102   42.675   16.051   34.528   14.362 8.147011 21.53812 
1 1 1  -11   24   24 o   38.584   10.828   10.791   8.4686   9.0488   12.693   12.189   11.369   37.558   15.465   39.611   15.160 -2.053082 21.65625 
1 1 1  -11   24   25 o   32.522   9.9621   2.8741   8.2637  -1.8388   11.953   7.1894   11.438   29.784   13.543   35.259   14.614 -5.475060 19.92422 
1 1 1  -11   24   26 o   37.445   10.717   9.3719   8.5886   5.3775   12.447   13.002   11.866   34.579   14.831   40.310   15.474 -5.731358 21.43346 
1 1 1  -11   24   27 o   59.765   11.622   32.525   9.7132   37.549   14.424   28.358   13.138   64.059   16.512   55.471   16.360 8.587841 23.24445 
1 1 1  -11   24   28 f   44.504   10.735   16.531   8.8738   3.7569   13.083   27.413   12.076   33.829   14.849   55.179   15.507 -21.34952 21.46943 
1 1 1  -11   24   29 f   37.363   10.863   9.4153   9.0141   4.8615   13.660   12.928   11.997   34.814   15.229   39.912   15.494 -5.098572 21.72544 
1 1 1  -11   24   30 o   41.500   11.171   13.443   8.8485   22.101   13.645   7.1583   11.624   48.133   16.899   34.866   14.614 13.26721 22.34156 
1 1 1  -11   24   31 o   38.885   15.115   12.257   11.430   0.0000   0.0000   12.257   11.430  ?   ?    38.885   15.115      ?      ? 
1 1 1  -11   24   32 o   32.088   13.752   4.6523   10.687   0.0000   0.0000   4.6523   10.687  ?   ?    32.088   13.752      ?      ? 
1 1 1  -11   24   33 o   40.145   15.499   13.921   11.955   0.0000   0.0000   13.921   11.955  ?   ?    40.145   15.499      ?      ? 
1 1 1  -11   24   34 f   51.478   16.238   25.729   12.660   0.0000   0.0000   25.729   12.660  ?   ?    51.478   16.238      ?      ? 
1 1 1  -11   24   35 o   41.556   15.536   15.886   11.778   0.0000   0.0000   15.886   11.778  ?   ?    41.556   15.536      ?      ? 
1 1 1  -11   24   36 o   44.316   16.123   19.212   12.539   0.0000   0.0000   19.212   12.539  ?   ?    44.316   16.123      ?      ? 
1 1 1  -11   24   37 o   62.531   15.827   37.546   13.424   0.0000   0.0000   37.546   13.424  ?   ?    62.531   15.827      ?      ? 
1 1 1  -11   25    1 o   39.232   11.151   12.440   9.0843   10.442   12.594   14.607   13.116   37.505   15.419   40.959   16.114 -3.454155 22.30264 
1 1 1  -11   25    2 o   30.667   13.805   0.6889   12.056   0.0000   0.0000   0.6889   12.056  ?   ?    30.667   13.805      ?      ? 
1 1 1  -11   25    3 o   31.348   14.132   0.8801   12.687   0.0000   0.0000   0.8801   12.687  ?   ?    31.348   14.132      ?      ? 
1 1 1  -11   25    4 o   57.400   16.853   31.973   13.969   0.0000   0.0000   31.973   13.969  ?   ?    57.400   16.853      ?      ? 
1 1 1  -11   25    5 o   26.406   8.8170  -7.1572   8.2544  -5.6317   11.971  -8.5401   11.398   27.374   12.828   25.438   12.099 1.935690 17.63395 
1 1 1  -11   25    6 o   38.859   10.929   12.134   8.6583   14.225   12.233   10.035   12.256   40.603   15.678   37.116   15.229 3.486595 21.85728 
1 1 1  -11   25    7 o   55.719   11.614   29.682   9.3589   30.130   13.583   29.276   12.913   55.842   16.675   55.596   16.169 0.2465515 23.22705 
1 1 1  -11   25    8 o   50.425   11.602   24.453   9.0851   24.993   13.080   23.949   12.629   50.820   16.553   50.031   16.263 0.7883110 23.20498 
1 1 1  -11   25    9 o   32.541   9.8546   3.8860   8.1133  -3.2198   11.862   10.132   11.122   28.388   13.122   36.693   14.706 -8.304379 19.70922 
1 1 1  -11   25   10 o   47.407   11.334   20.514   8.8698   28.826   13.329   13.907   11.883   54.606   16.566   40.208   15.473 14.39798 22.66804 
1 1 1  -11   25   11 o   45.527   11.557   19.752   9.1391   17.446   13.375   21.772   12.517   43.341   16.478   47.713   16.209 -4.371826 23.11399 
1 1 1  -11   25   12 o   25.656   8.6199  -8.5950   8.0452  -4.3068   12.152 -11.9411   10.735   28.109   13.091   23.203   11.218 4.905922 17.23989 
1 1 1  -11   25   13 o   34.015   14.750   5.6705   12.579   5.6705   12.579   0.0000   0.0000   34.015   14.750  ?   ?       ?      ? 
1 1 1  -11   25   14 o   50.692   16.659   25.278   13.237   25.278   13.237   0.0000   0.0000   50.692   16.659  ?   ?       ?      ? 
1 1 1  -11   25   15 o   34.755   10.374   7.1246   8.3953   10.903   12.430   3.9550   11.385   37.575   15.368   31.934   13.938 5.641813 20.74717 
1 1 1  -11   25   16 o   28.602   9.2661  -1.6457   8.0686  -1.0362   12.017  -2.1459   10.887   29.472   13.469   27.733   12.728 1.739138 18.53212 
1 1 1  -11   25   17 o   35.179   10.472   7.8396   8.4861   11.097   12.645   5.1707   11.446   37.654   15.462   32.704   14.126 4.949883 20.94347 
1 1 1  -11   25   18 o   33.446   9.9798   4.9435   8.3646  -4.7778   12.365   13.146   11.358   27.892   13.060   38.999   15.093 -11.10776 19.95959 
1 1 1  -11   25   19 o   31.387   9.8138   2.8630   8.3605  -1.9949   12.879   6.4009   10.991   29.626   13.686   33.149   14.069 -3.522890 19.62768 
1 1 1  -11   25   20 f   32.522   10.049   4.7782   8.3817   3.0376   12.861   6.0633   11.051   32.177   14.389   32.867   14.032 -0.6890755 20.09819 
1 1 1  -11   25   21 o   33.131   9.6325   3.9522   8.2905 -13.6990   13.165   15.552   10.672   25.170   12.229   41.092   14.886 -15.92156 19.26505 
1 1 1  -11   25   22 o   29.742   9.5248  -0.7093   8.1652   6.7392   12.826  -5.7849   10.588   34.201   14.863   25.282   11.916 8.919407 19.04962 
1 1 1  -11   25   23 o   37.967   10.587   12.108   8.5908   3.7628   13.253   18.155   11.282   32.572   14.583   43.363   15.352 -10.79124 21.17438 
1 1 1  -11   25   24 o   32.213   9.9904   4.7538   8.4643   0.5869   13.172   7.6844   11.047   30.725   14.064   33.701   14.193 -2.976238 19.98088 
1 1 1  -11   25   25 o   24.147   11.481  -6.9976   10.245   0.0000   0.0000  -6.9976   10.245  ?   ?    24.147   11.481      ?      ? 
1 1 1  -11   25   26 o   31.260   13.652   4.7148   10.935   0.0000   0.0000   4.7148   10.935  ?   ?    31.260   13.652      ?      ? 
1 1 1  -11   25   27 o   30.114   13.327   3.3721   10.745   0.0000   0.0000   3.3721   10.745  ?   ?    30.114   13.327      ?      ? 
1 1 1  -10    0    1 o  931.935   14.954  5895.61  188.738   0.0000   0.0000  5895.61  188.738  931.935   14.954  931.935   14.954 -0.000000 0.000000 
1 1 1  -10    0    2 o  267.124   6.1459  485.136   22.193  477.914   31.224  492.509   31.549  265.106   8.7127  269.141   8.6706 -0.000000 0.000000 
1 1 1  -10    0    3 o  1485.32   23.285 15044.38  468.151 14965.82  659.794 15124.03  664.361  1481.41   32.903  1489.22   32.957 -0.000000 0.000000 
1 1 1  -10    0    4 o  1583.82   35.049 17116.46  751.417   0.0000   0.0000 17116.46  751.417  1583.82   35.049  1583.82   35.049 -0.000000 0.000000 
1 1 1  -10    0    5 o  179.436   7.7739  219.444   18.822   0.0000   0.0000  219.444   18.822  179.436   7.7739  179.436   7.7739 -0.000000 0.000000 
1 1 1  -10    0    6 o  1564.90   34.637 16707.88  733.728   0.0000   0.0000 16707.88  733.728  1564.90   34.637  1564.90   34.637 -0.000000 0.000000 
1 1 1  -10    0    7 o  1514.04   23.729 15630.07  486.222 15903.90  695.972 15369.00  679.566  1526.97   33.671  1501.10   33.444 -0.000000 0.000000 
1 1 1  -10    0    8 o  263.934   6.1826  473.724   22.058  473.444   31.300  474.001   31.090  263.853   8.7758  264.015   8.7111 -0.000000 0.000000 
1 1 1  -10    0    9 o  942.558   15.161  6041.55  193.406  5973.61  271.591  6111.45  275.486  937.180   21.410  947.937   21.470 -0.000000 0.000000 
1 1 1  -10    0   10 o  807.212   13.193  4429.57  144.142  4453.39  204.607  4406.11  203.097  809.367   18.677  805.057   18.639 -0.000000 0.000000 
1 1 1  -10    0   11 o  589.422   10.128  2360.15   80.779  2323.15  113.242  2398.49  115.262  584.713   14.311  594.131   14.335 -0.000000 0.000000 
1 1 1  -10    0   12 o  582.339   10.038  2303.40   79.092  2252.75  110.513  2356.58  113.243  575.769   14.183  588.909   14.209 -0.000000 0.000000 
1 1 1  -10    0   13 o  885.027   14.332  5327.68  171.676  5287.59  241.707  5368.50  243.880  881.664   20.255  888.390   20.282 -0.000000 0.000000 
1 1 1  -10    0   14 o  435.283   11.522  1287.52   67.857  1287.52   67.857   0.0000   0.0000  435.283   11.522  435.283   11.522 -0.000000 0.000000 
1 1 1  -10    0   15 o  119.460   8.0784   98.052   12.940   98.052   12.940   0.0000   0.0000  119.460   8.0784  119.460   8.0784 -0.000000 0.000000 
1 1 1  -10    0   16 o   54.911   8.4136   23.046   5.4826   24.177   8.0041   22.047   7.5253   56.314   11.925   53.509   11.872 -0.000000 0.000000 
1 1 1  -10    0   17 o  371.115   7.3823  935.342   37.045  967.276   53.284  905.468   51.537  377.255   10.441  364.975   10.440 -0.000000 0.000000 
1 1 1  -10    0   18 o  252.439   6.1802  433.469   21.082  440.648   30.100  426.557   29.535  254.496   8.7513  250.382   8.7289 -0.000000 0.000000 
1 1 1  -10    0   19 o  227.326   5.9951  351.777   18.408  353.347   26.235  350.255   25.837  227.822   8.5247  226.831   8.4317 -0.000000 0.000000 
1 1 1  -10    0   20 o  229.258   6.0399  357.705   18.701  362.326   26.794  353.316   26.114  230.700   8.5977  227.816   8.4854 -0.000000 0.000000 
1 1 1  -10    0   21 o  313.610   6.8009  668.472   28.835  682.930   41.317  654.744   40.261  316.921   9.6405  310.299   9.5953 -0.000000 0.000000 
1 1 1  -10    0   22 o  457.035   8.4565  1419.81   52.294  1419.45   74.100  1420.17   73.810  456.974   11.984  457.096   11.934 -0.000000 0.000000 
1 1 1  -10    0   23 o  616.020   10.551  2580.08   87.960  2590.66  124.883  2569.67  123.910  617.271   14.949  614.769   14.893 -0.000000 0.000000 
1 1 1  -10    0   24 o  198.541   5.9102  268.773   15.809  249.089   22.222  288.942   22.495  191.102   8.6210  205.980   8.0871 -0.000000 0.000000 
1 1 1  -10    0   25 o  1082.57   17.283  7982.22  253.195  8143.15  363.032  7829.79  353.308  1093.18   24.534  1071.95   24.350 -0.000000 0.000000 
1 1 1  -10    0   26 o  125.977   5.9374  108.977   10.022  109.623   14.527  108.390   13.844  126.300   8.5787  125.654   8.2108 -0.000000 0.000000 
1 1 1  -10    0   27 o  299.878   9.4237  611.440   38.210   0.0000   0.0000  611.440   38.210  299.878   9.4237  299.878   9.4237 -0.000000 0.000000 
1 1 1  -10    0   28 f  261.510   8.9537  465.199   31.646   0.0000   0.0000  465.199   31.646  261.510   8.9537  261.510   8.9537 -0.000000 0.000000 
1 1 1  -10    0   29 o  1099.56   17.528  8229.32  260.874  8276.84  370.645  8182.68  367.241  1102.70   24.832  1096.42   24.745 -0.000000 0.000000 
1 1 1  -10    0   30 o  649.465   11.041  2866.02   97.044  2883.75  138.036  2848.69  136.460  651.449   15.656  647.481   15.573 -0.000000 0.000000 
1 1 1  -10    0   31 o  454.480   8.4891  1403.38   52.199  1396.87   73.942  1409.85   73.700  453.422   12.053  455.539   11.957 -0.000000 0.000000 
1 1 1  -10    0   32 o  1278.97   20.205 11136.25  349.743 11294.12  499.527 10984.46  489.838  1287.86   28.655  1270.09   28.492 -0.000000 0.000000 
1 1 1  -10    0   33 o  1067.30   17.051  7748.94  246.326  7768.83  349.212  7729.25  347.508  1068.66   24.142  1065.94   24.085 -0.000000 0.000000 
1 1 1  -10    0   34 o  1056.01   23.907  7585.58  341.718  7585.58  341.718   0.0000   0.0000  1056.01   23.907  1056.01   23.907 -0.000000 0.000000 
1 1 1  -10    0   35 o  252.014   6.5012  430.860   22.098  400.240   30.353  465.393   32.234  242.470   9.2683  261.559   9.1194 -0.000000 0.000000 
1 1 1  -10    0   36 o  290.788   6.7517  574.878   26.532  554.547   37.237  595.842   37.813  285.539   9.6483  296.036   9.4475 -0.000000 0.000000 
1 1 1  -10    0   37 o  545.948   9.6766  2024.68   71.482  2048.37  101.991  2001.81  100.213  549.087   13.726  542.808   13.643 -0.000000 0.000000 
1 1 1  -10    0   38 o  1151.46   18.317  9024.68  285.487  8968.81  402.317  9081.35  405.179  1147.87   25.894  1155.05   25.915 -0.000000 0.000000 
1 1 1  -10    0   39 o  998.200   16.062  6776.90  216.988  6662.03  303.796  6896.52  310.034  989.560   22.682  1006.84   22.749 -0.000000 0.000000 
1 1 1  -10    0   40 o  751.681   12.514  3839.43  127.280  3912.59  182.475  3770.11  177.626  758.653   17.771  744.709   17.623 -0.000000 0.000000 
1 1 1  -10    0   41 o  486.052   8.9517  1605.16   58.863  1619.39   84.102  1591.49   82.413  488.159   12.733  483.944   12.586 -0.000000 0.000000 
1 1 1  -10    0   42 o  117.881   6.8889   96.728   10.744   89.680   15.785  102.811   14.665  113.588   10.459  122.174   8.9687 -0.000000 0.000000 
1 1 1  -10    0   43 o  207.503   6.3842  293.863   17.852  285.253   25.637  301.969   24.874  204.494   9.2951  210.512   8.7539 -0.000000 0.000000 
1 1 1  -10    0   44 o  465.389   8.7267  1472.23   54.945  1455.72   77.811  1488.65   77.596  462.771   12.428  468.007   12.254 -0.000000 0.000000 
1 1 1  -10    0   45 o  1552.43   34.561 16493.34  726.255   0.0000   0.0000 16493.34  726.255  1552.43   34.561  1552.43   34.561 -0.000000 0.000000 
1 1 1  -10    0   46 o  148.982   9.1466  152.181   18.307   0.0000   0.0000  152.181   18.307  148.982   9.1466  148.982   9.1466 -0.000000 0.000000 
1 1 1  -10    0   47 o  193.292   6.4464  255.322   16.775  247.726   24.143  262.412   23.326  190.445   9.4071  196.139   8.8165 -0.000000 0.000000 
1 1 1  -10    0   48 o  169.591   6.5108  196.184   14.836  206.120   21.786  187.592   20.260  173.599   9.3222  165.584   9.0917 -0.000000 0.000000 
1 1 1  -10    0   49 o  366.487   7.6464  912.755   37.878  935.361   54.713  891.946   52.492  370.841   10.909  362.134   10.718 -0.000000 0.000000 
1 1 1  -10    0   50 o  339.487   7.3698  784.197   33.826  775.549   48.130  792.638   47.550  337.616   10.543  341.358   10.300 -0.000000 0.000000 
1 1 1  -10    0   51 o  305.249   10.161  634.242   41.927  634.242   41.927   0.0000   0.0000  305.249   10.161  305.249   10.161 -0.000000 0.000000 
1 1 1  -10    0   52 o  438.325   12.052  1307.34   71.468  1307.34   71.468   0.0000   0.0000  438.325   12.052  438.325   12.052 -0.000000 0.000000 
1 1 1  -10    0   53 o  271.177   6.8165  500.457   24.958  509.919   36.156  491.845   34.493  273.613   9.7796  268.742   9.4983 -0.000000 0.000000 
1 1 1  -10    0   54 o  360.010   7.6061  881.276   37.007  905.687   53.561  858.978   51.191  364.772   10.857  355.247   10.655 -0.000000 0.000000 
1 1 1  -10    0   55 o  512.596   9.3798  1788.92   65.041  1811.80   93.223  1767.22   90.790  515.776   13.358  509.416   13.172 -0.000000 0.000000 
1 1 1  -10    0   56 o  222.530   6.6003  337.636   19.802  342.222   28.770  333.508   27.297  223.942   9.5194  221.119   9.1452 -0.000000 0.000000 
1 1 1  -10    0   57 o  226.154   6.6531  349.208   20.289  342.525   29.176  355.466   28.233  224.005   9.6523  228.303   9.1592 -0.000000 0.000000 
1 1 1  -10    0   58 o  587.889   10.396  2356.96   82.693  2371.09  118.006  2343.32  115.912  589.600   14.790  586.178   14.613 -0.000000 0.000000 
1 1 1  -10    0   59 o  155.834   6.7498  165.452   14.075  182.423   21.059  151.751   18.922  163.068   9.6061  148.601   9.4850 -0.000000 0.000000 
1 1 1  -10    0   60 o  285.758   7.0232  556.779   27.102  552.700   38.998  560.589   37.692  284.706   10.137  286.810   9.7231 -0.000000 0.000000 
1 1 1  -10    0   61 o   71.331   14.158   38.426   12.158   0.0000   0.0000   38.426   12.158   71.331   14.158   71.331   14.158 -0.000000 0.000000 
1 1 1  -10    0   62 o   32.057   17.460   9.8726   10.741   0.0000   0.0000   9.8726   10.741   32.057   17.460   32.057   17.460 -0.000000 0.000000 
1 1 1  -10    0   63 o  108.576   7.6876   82.433   11.017   83.632   16.265   81.416   14.976  109.196   11.266  107.956   10.463 -0.000000 0.000000 
1 1 1  -10    0   64 o  638.742   11.136  2790.61   96.241  2808.27  137.450  2773.63  134.800  640.686   15.853  636.797   15.642 -0.000000 0.000000 
1 1 1  -10    0   65 o   63.530   12.549   33.160   9.3070   33.758   13.945   32.681   12.498   63.504   18.651   63.557   16.796 -0.000000 0.000000 
1 1 1  -10    0   66 o   75.057   11.076   43.923   9.7147   36.154   14.181   50.793   13.336   66.437   18.217   83.678   12.605 -0.000000 0.000000 
1 1 1  -10    0   67 o   80.239   15.454   48.480   15.005   48.480   15.005   0.0000   0.0000   80.239   15.454   80.239   15.454 -0.000000 0.000000 
1 1 1  -10    0   68 o  125.421   7.4630  108.986   12.459  116.335   18.152  102.438   17.133  129.506   10.502  121.335   10.606 -0.000000 0.000000 
1 1 1  -10    0   69 o  156.788   7.1920  168.627   15.081  177.542   22.476  161.327   20.340  160.521   10.433  153.056   9.9015 -0.000000 0.000000 
1 1 1  -10    0   70 o   27.193   11.725   2.7842   8.7770  -5.8153   13.294   9.4294   11.686   22.458   15.137   31.928   17.910 -0.000000 0.000000 
1 1 1  -10    0   71 f  197.479   6.9898  267.060   18.564  271.860   27.198  262.874   25.400  199.090   10.141  195.868   9.6224 -0.000000 0.000000 
1 1 1  -10    0   72 o  184.513   7.0067  232.692   17.350  246.249   25.807  221.511   23.437  189.385   10.122  179.641   9.6918 -0.000000 0.000000 
1 1 1  -10    0   73 o  116.773   7.9675   95.706   12.293   92.757   17.949   98.312   16.870  114.835   11.821  118.710   10.686 -0.000000 0.000000 
1 1 1  -10    0   74 o   81.794   12.340   55.339   11.278   36.464   16.924   70.418   15.127   63.954   21.776   99.634   11.616 -0.000000 0.000000 
1 1 1  -10    0   75 o  350.849   10.950  842.373   51.948   0.0000   0.0000  842.373   51.948  350.849   10.950  350.849   10.950 -0.000000 0.000000 
1 1 1  -10    0   77 o  237.457   9.9210  386.757   31.798   0.0000   0.0000  386.757   31.798  237.457   9.9210  237.457   9.9210 -0.000000 0.000000 
1 1 1  -10    0   78 o   51.117   14.322   24.509   9.7540   31.096   14.642   19.255   13.078   58.673   20.391   43.561   20.115 -0.000000 0.000000 
1 1 1  -10    0   79 o  134.997   7.5682  126.974   13.621  128.068   19.888  126.008   18.694  135.447   11.002  134.547   10.395 -0.000000 0.000000 
1 1 1  -10    0   80 f   69.135   12.918   39.396   10.437   37.787   15.324   40.788   14.255   66.667   19.527   71.604   16.917 -0.000000 0.000000 
1 1 1  -10    0   81 o  254.706   10.268  446.918   35.311  446.918   35.311   0.0000   0.0000  254.706   10.268  254.706   10.268 -0.000000 0.000000 
1 1 1  -10    0   82 o  158.036   7.3357  173.785   15.521  160.742   21.838  187.099   22.064  151.822   10.738  164.251   9.9974 -0.000000 0.000000 
1 1 1  -10    0   83 o  118.812   8.1656   99.749   12.766  113.523   18.597   87.475   17.555  126.990   10.996  110.635   12.074 -0.000000 0.000000 
1 1 1  -10    0   84 o  107.873   8.5011   83.490   12.018   82.177   17.256   84.726   16.748  106.862   12.345  108.885   11.691 -0.000000 0.000000 
1 1 1  -10    0   85 o  213.899   7.0688  317.857   20.351  297.394   28.805  338.252   28.757  206.800   10.338  220.998   9.6440 -0.000000 0.000000 
1 1 1  -10    0   86 o  180.005   7.0797  225.746   17.141  231.176   24.659  220.668   23.844  182.091   10.063  177.920   9.9608 -0.000000 0.000000 
1 1 1  -10    0   87 o   24.885   11.159   2.3982   8.1480   2.2314   11.707   2.5549   11.347   24.923   15.846   24.848   15.716 -0.000000 0.000000 
1 1 1  -10    0   88 o   51.400   13.642   25.770   9.0826   21.530   12.955   29.869   12.738   45.294   20.040   57.505   18.515 -0.000000 0.000000 
1 1 1  -10    0   89 o   80.513   14.400   49.935   14.215   0.0000   0.0000   49.935   14.215   80.513   14.400   80.513   14.400 -0.000000 0.000000 
1 1 1  -10    0   90 f  139.663   10.350  138.400   19.342   0.0000   0.0000  138.400   19.342  139.663   10.350  139.663   10.350 -0.000000 0.000000 
1 1 1  -10    0   91 o   52.077   19.286   26.500   12.630   0.0000   0.0000   26.500   12.630   52.077   19.286   52.077   19.286 -0.000000 0.000000 
1 1 1  -10    0   92 o   67.761   17.246   38.891   13.692   0.0000   0.0000   38.891   13.692   67.761   17.246   67.761   17.246 -0.000000 0.000000 
1 1 1  -10    1    1 o  786.635   10.452  4114.22   95.013  4036.55  108.426  4371.14  197.212  771.420   10.372  801.850   18.149 -30.42981 20.90378 
1 1 1  -10    1    2 o  610.947   8.4434  2521.50   60.445  2510.54   69.672  2554.87  121.536  608.489   8.4494  613.404   14.621 -4.914795 16.88683 
1 1 1  -10    1    3 o  489.261   6.1728  1623.03   40.925  1637.52   58.172  1608.84   57.586  491.422   8.7353  487.100   8.7240 4.321594 12.34558 
1 1 1  -10    1    4 o  540.291   6.6569  1979.42   48.737  2000.30   69.341  1959.03   68.517  543.106   9.4216  537.475   9.4071 5.630249 13.31387 
1 1 1  -10    1    5 o  118.656   3.7400   95.418   6.0136   96.159   8.5345   94.687   8.4748  119.113   5.2873  118.198   5.2909 0.9148102 7.479959 
1 1 1  -10    1    6 o  537.378   6.6298  1958.31   48.279  1957.08   68.282  1959.54   68.272  537.209   9.3796  537.547   9.3723 -0.3372803 13.25955 
1 1 1  -10    1    7 o  490.097   7.6066  1634.33   47.658  1614.17   82.179  1644.54   58.500  487.720   12.434  492.473   8.7657 -4.753021 15.21313 
1 1 1  -10    1    8 o  615.520   9.0616  2571.14   71.190  2571.64  123.534  2570.89   87.109  615.397   14.813  615.644   10.441 -0.2468872 18.12319 
1 1 1  -10    1    9 o  778.386   11.070  4145.51  110.647  4020.52  188.160  4211.58  136.801  769.032   18.055  787.740   12.815 -18.70831 22.14075 
1 1 1  -10    1   10 o  1364.51   15.148 12676.40  280.105 12618.76  394.962 12734.72  397.305  1361.39   21.409  1367.63   21.437 -6.232056 30.29679 
1 1 1  -10    1   11 o  450.843   5.8624  1378.25   35.817  1380.06   50.715  1376.45   50.590  451.138   8.2956  450.547   8.2859 0.5914612 11.72486 
1 1 1  -10    1   12 o  360.213   6.2237  880.876   28.691  877.110   49.469  882.784   35.219  359.580   10.152  360.846   7.2024 -1.266266 12.44744 
1 1 1  -10    1   13 f  816.027   11.515  4505.38  119.633  4587.29  209.513  4465.76  145.727  821.068   18.830  810.986   13.260 10.08197 23.03025 
1 1 1  -10    1   14 o  1021.30   11.527  7089.69  159.521  7181.68  227.529  7000.75  223.714  1027.81   16.336  1014.80   16.268 13.01520 23.05430 
1 1 1  -10    1   15 o  238.022   5.2019  378.211   15.740  367.528   19.057  401.139   27.918  232.844   6.0397  243.201   8.4711 -10.35742 10.40371 
1 1 1  -10    1   16 o  388.124   6.5834  1028.84   32.690  1043.34   40.240  1000.69   56.059  392.253   7.5702  383.996   10.773 8.257141 13.16681 
1 1 1  -10    1   17 o  448.773   5.8617  1365.93   35.647  1372.71   50.566  1359.22   50.261  449.881   8.2943  447.666   8.2851 2.215118 11.72336 
1 1 1  -10    1   18 o  264.818   4.4269  475.445   15.886  472.901   22.444  478.000   22.489  264.107   6.2710  265.528   6.2501 -1.420441 8.853743 
1 1 1  -10    1   19 o  267.503   4.4516  485.145   16.137  487.699   22.854  482.607   22.788  268.205   6.2881  266.800   6.3029 1.404266 8.903234 
1 1 1  -10    1   20 o  143.576   3.9844  139.746   7.7519  138.158   10.956  141.338   10.969  142.758   5.6635  144.393   5.6060 -1.634384 7.968818 
1 1 1  -10    1   21 o   95.117   4.2459   61.347   5.4527   54.574   7.6101   68.493   7.8168   89.719   6.2592  100.515   5.7387 -10.79661 8.491801 
1 1 1  -10    1   22 o  256.482   4.4092  445.991   15.325  444.332   21.641  447.659   21.704  256.003   6.2381  256.960   6.2330 -0.9568787 8.818384 
1 1 1  -10    1   23 o  613.270   7.4101  2551.78   61.573  2506.17   86.158  2599.40   88.027  607.672   10.463  618.868   10.496 -11.19672 14.82024 
1 1 1  -10    1   24 o  584.191   7.1364  2315.77   56.495  2306.84   79.728  2324.77   80.065  583.060   10.091  585.321   10.094 -2.261414 14.27271 
1 1 1  -10    1   25 o  566.045   6.9676  2173.50   53.442  2202.25   76.141  2145.58   75.028  569.734   9.8620  562.357   9.8454 7.376526 13.93521 
1 1 1  -10    1   26 o  405.272   5.5398  1113.72   30.424  1111.21   42.960  1116.25   43.093  404.813   7.8311  405.730   7.8377 -0.9162903 11.07951 
1 1 1  -10    1   27 o  900.433   14.578  5520.10  177.870  5466.55  250.193  5574.82  252.922  896.020   20.605  904.846   20.627 -8.825439 29.15527 
1 1 1  -10    1   28 o  217.942   5.2502  322.425   14.659  320.795   25.218  323.256   18.015  217.505   8.5558  218.380   6.0875 -0.8745728 10.50047 
1 1 1  -10    1   29 o  622.699   7.5221  2630.10   63.473  2612.71   89.443  2647.74   90.090  620.625   10.635  624.772   10.641 -4.146851 15.04419 
1 1 1  -10    1   30 o  1123.98   12.619  8584.35  192.201  8648.90  273.182  8521.09  270.466  1128.16   17.869  1119.80   17.823 8.358276 25.23826 
1 1 1  -10    1   31 f  502.038   6.4014  1708.60   43.546  1736.49   62.142  1681.69   61.038  506.062   9.0615  498.014   9.0443 8.048523 12.80275 
1 1 1  -10    1   32 o  730.190   8.5792  3617.13   84.891  3604.50  119.800  3629.87  120.309  728.909   12.128  731.470   12.137 -2.560730 17.15835 
1 1 1  -10    1   33 o  951.313   10.838  6139.33  139.665  6309.13  201.143  5981.26  194.078  963.995   15.397  938.630   15.258 25.36566 21.67689 
1 1 1  -10    1   34 o  247.105   6.4094  414.086   21.459  420.137   30.224  407.935   30.473  248.928   8.9597  245.282   9.1677 3.645477 12.81886 
1 1 1  -10    1   35 o  393.047   5.4898  1047.25   29.240  1054.75   41.480  1039.84   41.224  394.447   7.7602  391.648   7.7672 2.798218 10.97955 
1 1 1  -10    1   36 o  584.869   7.1878  2319.75   56.968  2305.34   80.276  2334.37   80.857  583.039   10.160  586.698   10.170 -3.659058 14.37564 
1 1 1  -10    1   37 o  1226.06   13.703 10219.53  227.669 10227.42  322.167 10211.65  321.779  1226.54   19.383  1225.59   19.374 0.9439697 27.40554 
1 1 1  -10    1   38 o  280.865   4.7451  534.708   18.060  539.550   25.611  529.919   25.471  282.129   6.6988  279.600   6.7224 2.529663 9.490220 
1 1 1  -10    1   39 o  1352.87   15.057 12456.33  276.039 12540.01  392.084 12374.08  388.694  1357.37   21.316  1348.37   21.272 8.997681 30.11430 
1 1 1  -10    1   40 o  720.930   8.5245  3526.69   83.277  3560.56  118.457  3493.59  117.097  724.351   12.068  717.509   12.043 6.842407 17.04892 
1 1 1  -10    1   41 o  586.130   7.2241  2330.45   57.379  2343.88   81.402  2317.18   80.892  587.808   10.219  584.451   10.214 3.356873 14.44812 
1 1 1  -10    1   42 o  780.456   9.1185  4135.21   96.436  4103.90  135.726  4167.12  137.046  777.475   12.882  783.438   12.909 -5.962341 18.23692 
1 1 1  -10    1   43 o  314.133   4.9818  668.517   21.198  645.000   29.524  693.542   30.456  308.434   7.0636  319.831   7.0270 -11.39682 9.963606 
1 1 1  -10    1   44 o  330.605   5.0939  740.952   22.819  728.224   32.011  754.102   32.537  327.718   7.2079  333.491   7.1997 -5.772369 10.18773 
1 1 1  -10    1   45 o  637.258   10.903  2759.07   94.118  2837.05  135.407  2686.18  130.914  645.956   15.469  628.561   15.369 17.39587 21.80592 
1 1 1  -10    1   46 f  603.516   9.0918  2503.79   70.778  2574.68   88.246  2375.95  118.508  615.889   10.573  591.143   14.794 24.74561 18.18358 
1 1 1  -10    1   47 o  286.694   4.8537  557.337   18.856  554.000   26.512  560.753   26.825  285.827   6.8447  287.562   6.8836 -1.735474 9.707423 
1 1 1  -10    1   48 o  209.082   4.5520  296.431   12.895  305.022   18.305  287.969   18.167  212.091   6.3689  206.074   6.5055 6.017670 9.104064 
1 1 1  -10    1   49 o  477.307   6.2734  1545.43   40.567  1509.82   56.619  1582.98   58.153  471.663   8.8583  482.952   8.8855 -11.28970 12.54680 
1 1 1  -10    1   50 o  441.880   5.9798  1325.12   35.806  1337.09   50.837  1313.33   50.441  443.861   8.4518  439.899   8.4615 3.961487 11.95950 
1 1 1  -10    1   51 o  353.854   7.5828  849.824   36.339  816.764   50.381  885.673   52.463  346.689   10.724  361.018   10.724 -14.32855 15.16555 
1 1 1  -10    1   52 o  575.374   8.8139  2254.95   64.797  2246.34  112.055  2259.27   79.422  574.135   14.402  576.614   10.164 -2.479492 17.62778 
1 1 1  -10    1   53 o  582.802   7.2477  2308.76   57.240  2314.98   81.004  2302.55   80.897  583.587   10.243  582.016   10.257 1.570374 14.49540 
1 1 1  -10    1   54 o  303.181   4.9835  623.782   20.474  633.367   29.087  614.371   28.824  305.490   7.0261  300.871   7.0695 4.619019 9.967092 
1 1 1  -10    1   55 o  187.870   4.5635  239.265   11.605  255.834   16.678  223.711   16.159  194.174   6.3381  181.565   6.5673 12.60876 9.126979 
1 1 1  -10    1   56 f  227.663   4.6496  351.748   14.342  360.697   20.376  342.961   20.191  230.536   6.5222  224.791   6.6284 5.745468 9.299142 
1 1 1  -10    1   57 o  221.613   4.6494  333.172   13.958  321.845   19.497  345.083   19.993  217.749   6.6073  225.477   6.5431 -7.728180 9.298823 
1 1 1  -10    1   58 o  208.033   4.6123  293.794   13.001  298.707   18.408  288.903   18.366  209.771   6.4755  206.294   6.5698 3.476837 9.224595 
1 1 1  -10    1   59 o  520.873   6.7156  1845.97   47.401  1831.32   66.671  1860.95   67.404  518.787   9.4835  522.960   9.5112 -4.173462 13.43127 
1 1 1  -10    1   60 o  177.797   4.6509  214.625   11.203  208.300   15.747  221.108   15.942  175.142   6.6349  180.453   6.5194 -5.311050 9.301869 
1 1 1  -10    1   61 o  166.066   5.5789  184.258   11.943  197.799   20.640  177.442   14.644  170.496   8.9332  161.635   6.6855 8.861008 11.15786 
1 1 1  -10    1   62 o  343.226   6.4699  809.337   28.599  826.451   35.528  777.834   48.203  348.690   7.5187  337.762   10.531 10.92834 12.93987 
1 1 1  -10    1   63 o  365.529   5.4815  908.539   27.151  921.406   38.505  895.816   38.290  368.109   7.7190  362.950   7.7850 5.158630 10.96308 
1 1 1  -10    1   64 o  227.985   4.7557  353.200   14.690  361.544   20.822  344.930   20.729  230.673   6.6610  225.298   6.7896 5.374573 9.511448 
1 1 1  -10    1   65 o  216.652   4.7452  318.953   13.924  333.794   19.833  304.528   19.552  221.632   6.6035  211.673   6.8163 9.958969 9.490411 
1 1 1  -10    1   66 o  300.266   6.3863  625.029   24.389  646.906   30.031  582.645   41.801  308.431   7.1850  292.101   10.560 16.33081 12.77261 
1 1 1  -10    1   67 o  118.668   7.6587   96.267   12.313   97.774   17.302   94.722   17.526  119.624   10.673  117.713   10.987 1.911377 15.31746 
1 1 1  -10    1   68 o  138.552   6.2338  128.632   10.959  137.151   19.523  124.712   13.242  141.708   10.166  135.396   7.2172 6.312454 12.46760 
1 1 1  -10    1   69 o  246.392   4.9579  412.873   16.549  427.711   23.598  398.514   23.214  250.757   6.9445  242.028   7.0779 8.728485 9.915791 
1 1 1  -10    1   70 o  298.482   6.1940  603.563   23.744  595.147   29.149  620.163   40.937  295.709   7.2740  301.255   10.028 -5.546143 12.38804 
1 1 1  -10    1   71 o  283.436   7.1765  549.726   27.543  529.052   39.161  569.961   38.744  278.097   10.392  288.776   9.9006 -10.67859 14.35292 
1 1 1  -10    1   72 f  124.080   6.7250  105.946   10.578  103.080   18.453  107.349   12.910  122.631   11.104  125.529   7.5893 -2.898483 13.45005 
1 1 1  -10    1   73 o  141.443   5.1569  136.224   9.8635  124.518   13.766  148.575   14.140  135.177   7.5148  147.708   7.0642 -12.53096 10.31379 
1 1 1  -10    1   74 o  318.607   5.2833  692.000   22.810  698.399   32.296  685.630   32.221  320.084   7.4457  317.131   7.4975 2.952820 10.56655 
1 1 1  -10    1   75 o   71.038   7.7600   35.502   7.1780   28.626   10.147   42.390   10.156   63.406   12.252   78.671   9.5262 -15.26521 15.51993 
1 1 1  -10    1   76 o  202.690   5.9894  282.663   15.684  275.358   26.341  286.676   19.521  200.352   9.7020  205.027   7.0260 -4.674438 11.97885 
1 1 1  -10    1   77 o  214.831   5.9199  309.172   16.332  295.620   19.919  336.972   28.529  208.117   7.0627  221.545   9.5026 -13.42862 11.83976 
1 1 1  -10    1   78 o  130.464   5.3865  116.543   9.5039  107.754   13.407  125.420   13.474  125.471   7.8851  135.457   7.3405 -9.986046 10.77295 
1 1 1  -10    1   79 o   49.660   9.8736   13.482   7.4503   31.934   12.701   3.8031   9.1990   66.181   14.558   33.140   13.342 33.04117 19.74715 
1 1 1  -10    1   80 o  117.075   6.9483   92.048   10.412   86.974   12.631  102.807   18.391  112.510   8.2846  121.640   11.157 -9.130196 13.89660 
1 1 1  -10    1   81 o   93.417   9.1960   61.742   11.545   70.218   16.276   53.158   16.379  100.166   11.991   86.667   13.946 13.49892 18.39197 
1 1 1  -10    1   82 o  156.491   6.3229  171.991   12.541  161.457   21.636  177.322   15.391  152.234   10.488  160.747   7.0654 -8.512405 12.64582 
1 1 1  -10    1   83 o  124.098   5.3441  105.989   8.9834  110.280   12.882  101.927   12.533  126.554   7.5117  121.643   7.6033 4.911194 10.68817 
1 1 1  -10    1   84 o  220.897   4.9403  335.776   14.787  342.170   21.039  329.535   20.787  222.986   6.9626  218.807   7.0106 4.179108 9.880598 
1 1 1  -10    1   85 o  188.671   4.9191  245.294   12.573  236.956   17.601  253.981   17.966  185.375   7.0067  191.967   6.9061 -6.591812 9.838111 
1 1 1  -10    1   86 o  107.573   5.6418   80.453   8.2186   83.679   11.605   77.206   11.641  109.797   7.7993  105.349   8.1542 4.448715 11.28366 
1 1 1  -10    1   87 o  101.010   5.7480   71.357   7.8427   76.916   11.013   65.636   11.172  105.151   7.7284   96.868   8.5105 8.282982 11.49595 
1 1 1  -10    1   88 o   53.700   9.6814   19.014   7.1776   35.684   12.351   10.513   8.8198   68.452   13.791   38.948   13.591 29.50376 19.36284 
1 1 1  -10    1   89 o   85.630   9.3706   55.201   10.209   74.870   14.903   37.811   14.014  101.930   10.790   69.330   15.324 32.59959 18.74118 
1 1 1  -10    1   90 o   46.410   10.909   16.344   8.2459   11.195   11.770   21.306   11.556   41.051   15.494   51.769   15.362 -10.71837 21.81870 
1 1 1  -10    1   91 f   55.119   9.5798   21.686   8.5327   42.117   12.626   4.5128   11.576   75.242   12.383   34.997   14.620 40.24448 19.15963 
1 1 1  -10    1   92 o   75.829   13.677   44.770   13.537   44.770   13.537   0.0000   0.0000   75.829   13.677  ?   ?       ?      ? 
1 1 1  -10    2    1 o  1109.56   12.449  8372.34  187.178  8357.73  264.414  8387.02  265.008  1108.60   17.601  1110.54   17.609 -1.938599 24.89721 
1 1 1  -10    2    2 o  425.654   6.8360  1227.19   37.342  1223.48   45.913  1234.44   64.183  424.778   7.9762  426.530   11.104 -1.752350 13.67193 
1 1 1  -10    2    4 o  600.121   8.3241  2423.25   58.489  2403.05   67.328  2485.37  118.091  595.299   8.3460  604.943   14.405 -9.643127 16.64827 
1 1 1  -10    2    5 o  738.049   8.6022  3696.64   86.032  3730.62  122.362  3663.41  120.985  741.403   12.179  734.696   12.152 6.706299 17.20444 
1 1 1  -10    2    6 o  591.646   8.7440  2377.64   66.166  2370.49  114.255  2381.25   81.159  590.808   14.271  592.485   10.108 -1.676453 17.48808 
1 1 1  -10    2    7 o  256.319   5.1907  442.048   17.030  455.672   29.603  435.308   20.820  259.224   8.4271  253.415   6.0627 5.809448 10.38138 
1 1 1  -10    2    8 o  444.764   7.0337  1308.02   39.471  1433.89   71.536  1252.93   47.327  459.674   11.484  429.854   8.1247 29.82001 14.06746 
1 1 1  -10    2    9 o  1138.30   18.028  8813.16  278.093   0.0000   0.0000  8813.16  278.093  ?   ?   1138.30   18.028      ?      ? 
1 1 1  -10    2   10 o  503.153   6.3477  1713.04   43.230  1804.80   63.013  1631.45   59.417  515.850   9.0141  490.456   8.9398 25.39380 12.69545 
1 1 1  -10    2   11 o  422.999   5.6114  1213.29   32.166  1216.97   45.602  1209.65   45.376  423.637   7.9435  422.361   7.9280 1.275726 11.22285 
1 1 1  -10    2   12 o  360.010   5.0889  878.752   24.827  881.527   35.218  876.010   35.004  360.575   7.2074  359.446   7.1861 1.129517 10.17781 
1 1 1  -10    2   13 o  656.752   7.8047  2926.60   69.453  2880.08   97.327  2974.87   99.141  651.436   11.025  662.067   11.050 -10.63080 15.60946 
1 1 1  -10    2   14 o  132.184   3.8805  118.418   6.9486  122.838   9.8946  114.118   9.7603  134.617   5.4239  129.750   5.5510 4.867249 7.760987 
1 1 1  -10    2   15 o  131.942   4.9843  120.368   8.2208  124.327   9.9620  111.916   14.555  135.430   5.4281  128.455   8.3612 6.975037 9.968677 
1 1 1  -10    2   16 o  412.761   6.8126  1148.99   35.728  1136.11   43.407  1176.04   62.911  409.294   7.8260  416.228   11.154 -6.934235 13.62527 
1 1 1  -10    2   17 o  251.359   4.3465  428.315   14.805  422.437   20.851  434.292   21.023  249.619   6.1641  253.098   6.1296 -3.479111 8.693027 
1 1 1  -10    2   18 o  192.456   4.0509  251.094   10.565  252.907   14.963  249.292   14.919  193.149   5.7166  191.763   5.7411 1.385910 8.101868 
1 1 1  -10    2   19 o  698.165   8.2390  3309.76   77.949  3321.59  110.432  3298.02  110.043  699.408   11.651  696.921   11.652 2.486267 16.47797 
1 1 1  -10    2   20 o  304.311   4.7134  627.640   19.433  611.609   27.178  644.411   27.798  300.336   6.6776  308.286   6.6539 -7.949677 9.426813 
1 1 1  -10    2   21 o  642.356   7.6904  2800.61   66.939  2769.57   94.070  2832.44   95.274  638.752   10.868  645.960   10.884 -7.207458 15.38075 
1 1 1  -10    2   22 f  672.705   7.9915  3071.96   72.849  3049.41  102.601  3094.87  103.453  670.217   11.297  675.193   11.307 -4.975952 15.98296 
1 1 1  -10    2   23 o  251.798   4.4086  429.700   15.040  418.444   21.079  441.373   21.467  248.439   6.2610  255.157   6.2083 -6.717133 8.817221 
1 1 1  -10    2   24 o  1131.45   12.701  8711.09  194.733  8774.27  276.688  8649.09  274.118  1135.51   17.981  1127.39   17.942 8.118530 25.40180 
1 1 1  -10    2   25 o  654.740   9.5587  2913.12   80.086  2916.96   98.284  2905.54  138.151  655.628   11.062  653.852   15.592 1.775818 19.11738 
1 1 1  -10    2   26 o  578.139   8.6751  2288.92   64.566  2335.50   80.141  2202.76  108.995  586.759   10.079  569.519   14.123 17.23987 17.35029 
1 1 1  -10    2   27 f  747.232   10.741  3784.97  102.388  3814.84  178.180  3770.24  125.105  749.123   17.552  745.341   12.386 3.782043 21.48225 
1 1 1  -10    2   28 o  306.698   5.9222  643.698   23.231  619.670   39.753  656.159   28.628  302.276   9.7048  311.121   6.7902 -8.845917 11.84441 
1 1 1  -10    2   29 o  737.404   8.6472  3689.40   86.410  3701.07  122.463  3677.82  121.943  738.566   12.236  736.243   12.222 2.322693 17.29446 
1 1 1  -10    2   30 o  240.524   4.4272  391.966   14.426  404.009   20.615  380.408   20.196  244.143   6.2309  236.904   6.2909 7.239441 8.854317 
1 1 1  -10    2   31 o  576.000   7.0853  2249.92   55.304  2241.68   78.072  2258.22   78.353  574.942   10.021  577.059   10.020 -2.116577 14.17053 
1 1 1  -10    2   32 o  405.663   5.5765  1115.57   30.655  1122.68   43.502  1108.57   43.205  406.946   7.8885  404.381   7.8842 2.564972 11.15299 
1 1 1  -10    2   33 o  244.465   6.3494  405.123   21.026  402.244   29.285  408.186   30.208  243.571   8.8723  245.359   9.0852 -1.788635 12.69874 
1 1 1  -10    2   34 o  259.749   6.4817  456.318   22.784  435.188   31.243  480.317   33.298  253.344   9.1004  266.153   9.2322 -12.80920 12.96341 
1 1 1  -10    2   35 o  315.157   4.9100  673.260   20.970  675.570   29.689  670.960   29.622  315.696   6.9396  314.617   6.9479 1.079071 9.819998 
1 1 1  -10    2   36 o  531.468   6.7009  1915.18   48.258  1937.55   68.636  1893.31   67.866  534.537   9.4753  528.399   9.4778 6.137939 13.40184 
1 1 1  -10    2   37 o  691.942   8.2245  3247.68   77.114  3286.93  109.845  3209.53  108.283  696.063   11.645  687.821   11.617 8.242371 16.44909 
1 1 1  -10    2   38 o  855.598   9.8603  4968.60  114.315  4905.36  160.335  5033.99  163.029  850.064   13.919  861.132   13.971 -11.06763 19.72059 
1 1 1  -10    2   39 o  554.547   6.9186  2085.38   51.988  2058.37   72.936  2113.28   74.122  550.899   9.7698  558.196   9.7989 -7.297791 13.83719 
1 1 1  -10    2   40 o  932.588   10.658  5906.79  134.677  5979.46  191.935  5836.31  189.023  938.234   15.096  926.942   15.048 11.29126 21.31502 
1 1 1  -10    2   41 o  1358.05   15.128 12563.09  278.400 12646.04  395.465 12481.59  391.993  1362.49   21.419  1353.62   21.370 8.871094 30.25603 
1 1 1  -10    2   42 o  318.848   5.0196  689.086   21.685  673.885   30.394  704.848   30.949  315.266   7.1142  322.429   7.0832 -7.162384 10.03912 
1 1 1  -10    2   43 o  809.912   9.4229  4455.15  103.419  4471.23  146.587  4439.23  145.929  811.365   13.332  808.458   13.320 2.906311 18.84577 
1 1 1  -10    2   44 o  602.466   9.0653  2476.66   70.020  2428.86  119.804  2501.46   86.293  597.799   14.789  607.132   10.488 -9.332520 18.13056 
1 1 1  -10    2   45 o  555.229   9.8100  2094.19   73.797  2132.12  105.642  2058.03  103.133  560.133   13.918  550.325   13.829 9.808167 19.62007 
1 1 1  -10    2   46 o  333.178   6.2153  752.435   26.582  751.003   32.702  755.225   45.639  332.779   7.2516  333.577   10.096 -0.7982483 12.43052 
1 1 1  -10    2   47 o  500.826   6.4787  1701.37   43.961  1742.20   62.940  1662.48   61.428  506.690   9.1664  494.962   9.1582 11.72797 12.95746 
1 1 1  -10    2   48 o  466.569   6.1911  1476.64   39.137  1512.16   55.982  1442.70   54.734  472.054   8.7513  461.084   8.7599 10.96948 12.38230 
1 1 1  -10    2   49 o  332.161   7.3044  748.441   32.879  748.441   32.879   0.0000   0.0000  332.161   7.3044  ?   ?       ?      ? 
1 1 1  -10    2   50 o  936.856   13.239  5990.63  158.069  5977.86  193.110  6016.55  275.172  936.677   15.214  937.036   21.670 -0.3588257 26.47743 
1 1 1  -10    2   51 o  237.950   6.7361  384.091   21.705  372.661   29.995  396.653   31.446  234.243   9.4494  241.657   9.6026 -7.413391 13.47218 
1 1 1  -10    2   52 o  526.716   8.2699  1882.14   55.566  1902.33   96.754  1872.20   67.875  528.470   13.510  524.962   9.5412 3.508667 16.53971 
1 1 1  -10    2   53 o  556.246   7.0101  2102.93   52.841  2116.35   74.898  2089.64   74.560  558.014   9.9047  554.479   9.9229 3.535645 14.02023 
1 1 1  -10    2   54 o  616.974   7.5731  2589.32   63.317  2599.67   89.716  2579.04   89.372  618.203   10.709  615.745   10.711 2.457275 15.14617 
1 1 1  -10    2   55 o   87.968   5.5519   52.533   6.6133   49.743   9.2579   55.440   9.4503   85.581   7.9827   90.356   7.7181 -4.774765 11.10372 
1 1 1  -10    2   56 o  175.141   4.5708  208.205   10.841  218.417   15.409  198.197   15.254  179.399   6.3383  170.883   6.5874 8.516449 9.141550 
1 1 1  -10    2   57 o  174.581   4.5880  206.870   10.854  205.046   15.283  208.726   15.417  173.805   6.4890  175.358   6.4877 -1.552811 9.175938 
1 1 1  -10    2   58 o  174.286   4.5894  206.149   10.838  201.535   15.188  210.936   15.470  172.299   6.5047  176.273   6.4761 -3.974503 9.178853 
1 1 1  -10    2   59 o  283.835   4.9051  547.082   18.866  539.220   26.547  555.104   26.815  281.774   6.9524  285.897   6.9213 -4.123047 9.810226 
1 1 1  -10    2   60 o  338.089   6.4099  775.206   27.725  785.493   48.025  770.064   33.955  339.534   10.438  336.643   7.4431 2.890930 12.81970 
1 1 1  -10    2   61 o  424.169   7.2150  1223.34   39.160  1234.08   67.726  1217.94   47.996  425.174   11.755  423.164   8.3698 2.010284 14.42991 
1 1 1  -10    2   62 o  232.541   5.7448  369.545   17.214  373.551   21.336  362.076   29.134  234.495   6.7144  230.587   9.3235 3.907776 11.48955 
1 1 1  -10    2   63 o  224.062   4.7471  341.141   14.410  350.449   20.405  331.879   20.354  227.119   6.6297  221.005   6.7962 6.114395 9.494285 
1 1 1  -10    2   64 o  329.152   5.2443  736.520   23.389  753.821   33.337  719.748   32.822  332.962   7.3883  325.341   7.4447 7.620667 10.48862 
1 1 1  -10    2   65 o  209.500   4.7394  298.315   13.454  300.325   18.940  296.267   19.115  210.217   6.6484  208.782   6.7561 1.435120 9.478715 
1 1 1  -10    2   66 o  261.294   6.9213  464.188   24.508  464.188   24.508   0.0000   0.0000  261.294   6.9213  ?   ?       ?      ? 
1 1 1  -10    2   67 o  241.299   6.0800  403.925   18.777  373.920   31.719  420.112   23.298  234.040   10.001  248.558   6.9168 -14.51863 12.16001 
1 1 1  -10    2   68 o  217.286   5.9359  318.439   16.388  330.958   28.948  312.535   19.880  220.196   9.7011  214.376   6.8432 5.820648 11.87185 
1 1 1  -10    2   69 o  368.855   5.5903  926.587   27.942  935.983   39.584  917.255   39.449  370.725   7.8792  366.984   7.9324 3.740326 11.18054 
1 1 1  -10    2   70 o  136.011   5.1786  126.145   9.5103  139.222   13.505  113.282   13.394  143.045   6.9671  128.976   7.6636 14.06868 10.35717 
1 1 1  -10    2   71 f  482.547   6.4788  1589.65   42.365  1579.57   59.647  1599.92   60.182  481.007   9.1508  484.086   9.1741 -3.079254 12.95763 
1 1 1  -10    2   72 o  152.960   5.0806  159.318   10.531  158.888   14.884  159.749   14.903  152.753   7.1903  153.167   7.1800 -0.4141693 10.16128 
1 1 1  -10    2   73 o   93.021   6.1389   59.143   7.7304   61.707   10.873   56.522   10.993   95.081   8.4388   90.960   8.9181 4.121101 12.27785 
1 1 1  -10    2   74 o  200.588   4.8932  273.946   13.294  261.388   18.589  287.090   19.018  195.873   7.0032  205.304   6.8359 -9.430771 9.786424 
1 1 1  -10    2   75 o  386.641   6.9645  1009.26   34.328  1071.38   60.499  979.766   41.690  394.551   11.315  378.730   8.1230 15.82056 13.92895 
1 1 1  -10    2   76 o  228.963   4.9253  357.341   15.271  377.028   21.865  338.592   21.337  235.138   6.8618  222.788   7.0674 12.35059 9.850524 
1 1 1  -10    2   77 o  174.148   5.8717  204.523   13.260  197.280   16.381  218.287   22.582  169.984   7.1114  178.313   9.3454 -8.328842 11.74347 
1 1 1  -10    2   78 o  206.253   4.9293  290.558   13.775  282.830   19.354  298.490   19.610  203.463   7.0196  209.044   6.9223 -5.580719 9.858603 
1 1 1  -10    2   79 o  265.102   5.0810  480.716   18.250  494.618   26.008  467.232   25.614  268.894   7.1375  261.310   7.2334 7.583527 10.16198 
1 1 1  -10    2   80 o  105.704   7.5390   80.332   9.8491   85.102   11.947   70.212   17.401  111.337   7.9184  100.072   12.832 11.26496 15.07808 
1 1 1  -10    2   81 o  138.258   5.2192  131.188   9.7781  132.882   13.846  129.503   13.811  139.158   7.3424  137.358   7.4196 1.799057 10.43844 
1 1 1  -10    2   82 o   66.734   9.4332   33.246   7.8155   29.018   13.652   35.307   9.5322   62.196   16.079   71.272   9.8694 -9.076057 18.86644 
1 1 1  -10    2   83 o  178.535   6.0446  221.416   13.803  218.270   23.710  223.029   16.976  176.931   9.8888  180.139   6.9540 -3.207748 12.08913 
1 1 1  -10    2   84 o  139.775   6.3458  134.260   11.413  130.707   14.010  141.266   19.675  137.606   7.5133  141.945   10.229 -4.339249 12.69154 
1 1 1  -10    2   85 f  130.863   6.5673  121.374   10.822  124.442   13.193  115.065   18.921  134.217   7.2535  127.509   10.950 6.707977 13.13457 
1 1 1  -10    2   86 o   47.487   8.1404   15.833   6.2691   29.391   8.8133   1.9473   8.9194   64.521   10.080   30.453   12.785 34.06807 16.28072 
1 1 1  -10    2   87 o  127.531   6.4138  113.387   10.616  117.803   17.898  110.991   13.186  128.784   10.255  126.278   7.7054 2.506187 12.82759 
1 1 1  -10    2   88 o  161.853   6.1287  182.467   12.770  190.174   21.920  178.508   15.711  163.513   9.8925  160.193   7.2375 3.320084 12.25732 
1 1 1  -10    2   89 o   71.620   8.3155   36.062   7.8285   43.263   13.128   32.087   9.7523   76.558   12.654   66.682   10.792 9.875938 16.63092 
1 1 1  -10    2   90 o   80.351   9.2812   49.018   9.7787   42.290   13.879   55.649   13.780   73.599   14.432   87.102   11.674 -13.50241 18.56233 
1 1 1  -10    2   91 o   90.709   8.4474   61.052   10.269   71.750   14.691   50.829   14.361   99.125   10.936   82.292   12.878 16.83275 16.89478 
1 1 1  -10    2   92 o   85.061   12.425   54.256   14.322   54.256   14.322   0.0000   0.0000   85.061   12.425  ?   ?       ?      ? 
1 1 1  -10    2   93 o   30.580   13.538  -0.5789   11.099  -0.5789   11.099   0.0000   0.0000   30.580   13.538  ?   ?       ?      ? 
1 1 1  -10    3    1 o  399.265   5.3753  1081.01   29.083  1080.87   41.163  1081.15   41.098  399.239   7.6083  399.292   7.5953 -0.5325317E-01 10.75060 
1 1 1  -10    3    2 o  284.846   6.3486  550.069   24.506  550.069   24.506   0.0000   0.0000  284.846   6.3486  ?   ?       ?      ? 
1 1 1  -10    3    3 o  275.307   5.2923  512.121   18.781  508.078   23.174  519.859   32.058  273.762   6.2466  276.853   8.5448 -3.091248 10.58459 
1 1 1  -10    3    4 o  381.198   6.4315  1007.17   31.770  1066.87   40.188  907.706   51.877  396.656   7.4766  365.739   10.467 30.91635 12.86293 
1 1 1  -10    3    5 o  480.596   7.0277  1575.64   40.078  1584.89   46.617  1549.40   78.470  483.475   7.1152  477.718   12.121 5.757263 14.05531 
1 1 1  -10    3    6 o  368.752   6.2380  928.185   29.638  941.645   36.763  903.194   50.093  372.658   7.2799  364.846   10.132 7.811371 12.47593 
1 1 1  -10    3    7 o  268.922   5.4982  498.115   18.761  468.091   32.400  513.260   23.011  262.689   9.1015  275.156   6.1712 -12.46680 10.99644 
1 1 1  -10    3    8 o  259.116   6.2716  454.115   21.984  492.653   31.997  419.659   30.255  269.503   8.7613  248.730   8.9761 20.77197 12.54313 
1 1 1  -10    3    9 o  414.908   6.8554  1179.94   36.371  1131.28   62.195  1205.24   44.837  408.245   11.242  421.571   7.8485 -13.32648 13.71073 
1 1 1  -10    3   10 o  329.693   4.8419  736.116   21.618  702.643   30.022  772.164   31.155  321.916   6.8821  337.469   6.8126 -15.55243 9.683769 
1 1 1  -10    3   11 o  190.029   3.9672  244.775   10.216  246.276   14.520  243.305   14.376  190.605   5.6215  189.452   5.5995 1.152863 7.934468 
1 1 1  -10    3   12 o  542.840   6.7059  1999.30   49.330  1993.35   69.673  2005.28   69.854  542.030   9.4854  543.650   9.4818 -1.619629 13.41181 
1 1 1  -10    3   13 o  553.749   6.8169  2079.89   51.145  2122.74   73.171  2038.95   71.517  559.323   9.6537  548.175   9.6274 11.14832 13.63382 
1 1 1  -10    3   14 o  233.528   4.2125  369.719   13.331  369.348   18.862  370.090   18.843  233.411   5.9633  233.646   5.9514 -0.2346802 8.424940 
1 1 1  -10    3   15 f  413.764   6.8206  1142.31   35.621  1109.98   42.852  1214.62   64.080  404.550   7.8166  422.978   11.180 -18.42828 13.64116 
1 1 1  -10    3   16 o  586.992   8.7773  2326.16   65.411  2300.28   79.419  2380.74  115.334  582.191   10.066  591.793   14.382 -9.601257 17.55456 
1 1 1  -10    3   17 o  500.694   6.3336  1700.76   42.974  1693.43   60.645  1708.15   60.904  499.611   8.9573  501.777   8.9568 -2.165527 12.66718 
1 1 1  -10    3   18 o  271.848   4.4771  501.035   16.493  498.173   23.265  503.927   23.386  271.068   6.3334  272.628   6.3299 -1.560913 8.954276 
1 1 1  -10    3   19 o  725.444   8.5067  3573.70   83.627  3588.62  118.571  3558.92  117.963  726.951   12.036  723.938   12.024 3.013367 17.01340 
1 1 1  -10    3   20 o  1011.10   11.443  6952.02  156.766  7071.90  224.134  6837.21  219.346  1019.62   16.221  1002.58   16.145 17.04340 22.88618 
1 1 1  -10    3   21 o  439.194   5.8029  1308.22   34.537  1306.37   48.789  1310.07   48.896  438.884   8.2033  439.504   8.2098 -0.6200867 11.60583 
1 1 1  -10    3   22 o  619.190   7.4720  2601.07   62.689  2643.22   89.467  2560.42   87.866  624.115   10.578  614.265   10.556 9.850525 14.94391 
1 1 1  -10    3   23 o  187.452   4.8604  231.694   11.777  217.752   14.419  259.628   20.410  179.229   5.9368  195.676   7.6972 -16.44702 9.720712 
1 1 1  -10    3   24 o  637.175   9.3708  2786.41   76.992  2857.49   95.877  2657.33  129.195  648.953   10.902  625.397   15.244 23.55652 18.74162 
1 1 1  -10    3   25 o  1026.66   14.207  7172.61  186.423  7171.80  228.464  7174.23  322.491  1027.32   16.411  1026.00   23.195 1.314331 28.41308 
1 1 1  -10    3   26 o  466.806   7.4416  1463.71   44.067  1518.90   78.088  1437.92   53.379  473.111   12.180  460.501   8.5537 12.60983 14.88326 
1 1 1  -10    3   27 o  652.030   9.5700  2862.61   79.192  2950.96  139.981  2821.02   96.038  659.178   15.671  644.881   10.990 14.29700 19.13991 
1 1 1  -10    3   28 o  774.072   9.0151  4065.47   94.562  4103.22  134.525  4028.60  132.949  777.622   12.766  770.522   12.733 7.099976 18.03021 
1 1 1  -10    3   29 o  287.069   4.6930  558.445   18.254  546.436   25.595  570.877   26.041  283.929   6.6521  290.210   6.6216 -6.280792 9.385941 
1 1 1  -10    3   30 o  1013.76   11.465  6978.65  157.502  7023.55  223.690  6934.49  221.805  1016.99   16.231  1010.53   16.197 6.463745 22.93029 
1 1 1  -10    3   31 o  748.044   8.7675  3793.41   88.840  3904.79  127.873  3689.48  123.518  758.648   12.438  737.441   12.360 21.20703 17.53504 
1 1 1  -10    3   32 f  856.352   12.073  4993.10  132.404  4943.76  227.607  5018.34  162.781  852.802   19.695  859.903   13.969 -7.100525 24.14606 
1 1 1  -10    3   33 o  846.159   13.831  4862.91  158.516  4741.28  219.975  4994.29  228.625  835.179   19.436  857.140   19.683 -21.96014 27.66193 
1 1 1  -10    3   34 o  1347.72   14.987 12353.56  273.709 12462.60  389.345 12247.02  384.860  1353.59   21.226  1341.85   21.165 11.74353 29.97480 
1 1 1  -10    3   35 o  583.267   10.160  2307.20   80.305  2307.20   80.305   0.0000   0.0000  583.267   10.160  ?   ?       ?      ? 
1 1 1  -10    3   36 o  573.828   7.0948  2232.84   55.166  2262.64   78.575  2203.88   77.470  577.603   10.039  570.054   10.028 7.549500 14.18951 
1 1 1  -10    3   37 o  276.509   4.7098  518.268   17.648  521.623   25.004  514.938   24.912  277.401   6.6515  275.618   6.6699 1.783600 9.419681 
1 1 1  -10    3   38 o  420.723   5.7483  1200.17   32.773  1202.18   46.395  1198.16   46.302  421.076   8.1306  420.370   8.1281 0.7054749 11.49663 
1 1 1  -10    3   39 o  556.420   6.9577  2099.95   52.462  2113.90   74.425  2086.17   73.962  558.257   9.8379  554.583   9.8414 3.673523 13.91535 
1 1 1  -10    3   40 o  530.430   6.7068  1908.31   48.207  1922.26   68.450  1894.59   67.905  532.353   9.4883  528.508   9.4813 3.845032 13.41351 
1 1 1  -10    3   41 o  412.825   5.6976  1155.69   31.874  1158.71   45.131  1152.67   45.023  413.366   8.0567  412.285   8.0585 1.080109 11.39522 
1 1 1  -10    3   42 f  478.912   6.2615  1555.69   40.636  1557.61   57.497  1553.77   57.440  479.208   8.8540  478.616   8.8562 0.5924072 12.52300 
1 1 1  -10    3   43 o  904.105   12.727  5547.69  146.637  5611.06  255.862  5516.69  178.940  907.247   20.811  900.963   14.656 6.284546 25.45397 
1 1 1  -10    3   44 o  405.250   7.9580  1111.59   43.637  1179.56   63.852  1052.03   59.773  416.836   11.304  393.664   11.205 23.17181 15.91608 
1 1 1  -10    3   45 o  550.927   8.4310  2050.92   59.311  2030.51   72.432  2092.44  103.327  546.999   9.7716  554.855   13.742 -7.855469 16.86198 
1 1 1  -10    3   46 o  470.616   6.2267  1502.53   39.708  1482.65   55.759  1523.00   56.561  467.457   8.8021  473.775   8.8097 -6.318573 12.45347 
1 1 1  -10    3   47 o  169.280   4.5539  194.203   10.441  185.443   14.587  203.406   14.951  165.367   6.5092  173.194   6.3704 -7.826904 9.107719 
1 1 1  -10    3   48 o  409.529   5.7282  1137.98   31.790  1143.62   45.000  1132.35   44.915  410.544   8.0885  408.514   8.1134 2.029663 11.45648 
1 1 1  -10    3   49 o  536.690   8.4171  1961.48   57.555  1967.94   70.370  1948.43  100.033  538.334   9.6461  535.046   13.796 3.288269 16.83416 
1 1 1  -10    3   50 o  478.626   7.7749  1540.76   47.041  1512.63   56.798  1602.19   83.940  472.004   8.8798  485.248   12.765 -13.24411 15.54978 
1 1 1  -10    3   51 o  241.787   5.7478  395.862   17.750  399.836   30.834  393.893   21.708  242.617   9.3784  240.957   6.6480 1.660263 11.49565 
1 1 1  -10    3   52 o  740.109   8.7940  3722.94   88.118  3881.57  127.989  3579.97  121.501  755.053   12.509  725.166   12.364 29.88715 17.58793 
1 1 1  -10    3   53 o  251.871   4.7294  430.401   16.140  421.017   22.659  440.067   22.997  249.083   6.7129  254.659   6.6639 -5.575699 9.458870 
1 1 1  -10    3   54 o  448.291   6.0652  1365.31   36.846  1366.17   52.112  1364.45   52.104  448.432   8.5754  448.150   8.5796 0.2829285 12.13044 
1 1 1  -10    3   55 o  398.952   5.6834  1081.08   30.725  1071.73   43.245  1090.60   43.662  397.211   8.0340  400.692   8.0411 -3.481476 11.36677 
1 1 1  -10    3   56 o  627.222   7.7028  2677.64   65.458  2738.35   93.727  2619.84   91.458  634.155   10.906  620.289   10.880 13.86664 15.40565 
1 1 1  -10    3   57 f  343.379   5.2881  800.754   24.604  818.261   35.036  783.722   34.559  347.085   7.4490  339.674   7.5079 7.410889 10.57620 
1 1 1  -10    3   58 o  402.834   5.7268  1102.48   31.256  1130.93   44.712  1075.29   43.710  407.917   8.0885  397.752   8.1093 10.16461 11.45357 
1 1 1  -10    3   59 o  358.740   6.6139  874.127   30.306  880.930   52.595  870.745   37.081  359.522   10.795  357.958   7.6443 1.563995 13.22774 
1 1 1  -10    3   60 o  266.974   5.9052  474.651   20.115  514.418   35.578  455.968   24.387  274.869   9.5517  259.079   6.9462 15.79037 11.81033 
1 1 1  -10    3   61 o  441.297   6.0871  1324.57   36.394  1301.48   50.836  1348.83   52.126  437.362   8.5772  445.233   8.6394 -7.871338 12.17410 
1 1 1  -10    3   62 o  397.497   7.0142  1091.95   36.060  1130.40   45.194  1024.58   59.819  407.634   8.1814  387.361   11.396 20.27292 14.02849 
1 1 1  -10    3   63 o  334.752   6.4933  753.675   27.591  790.789   48.937  736.380   33.408  340.420   10.608  329.083   7.4913 11.33682 12.98664 
1 1 1  -10    3   64 o  156.559   4.8344  166.588   10.256  163.970   14.463  169.237   14.546  155.319   6.8714  157.798   6.8022 -2.479706 9.668785 
1 1 1  -10    3   65 o  170.897   6.0837  202.217   13.071  208.141   15.902  189.879   22.949  174.992   6.7058  166.801   10.153 8.190826 12.16730 
1 1 1  -10    3   66 o  154.483   4.8828  162.215   10.210  151.839   14.288  173.042   14.596  149.424   7.0563  159.541   6.7511 -10.11661 9.765677 
1 1 1  -10    3   67 o   98.941   7.0482   63.002   8.9734   79.184   15.983   55.555   10.844  107.607   10.961   90.276   8.8637 17.33059 14.09636 
1 1 1  -10    3   68 o  215.952   6.0423  321.003   16.593  308.548   28.690  327.263   20.340  212.546   9.9608  219.358   6.8425 -6.811340 12.08462 
1 1 1  -10    3   69 o  200.441   4.8351  273.290   13.133  269.661   18.524  276.958   18.621  199.100   6.8656  201.782   6.8100 -2.682190 9.670198 
1 1 1  -10    3   70 o  199.779   4.8338  271.546   13.086  271.367   18.501  271.724   18.513  199.713   6.8362  199.845   6.8359 -0.1315918 9.667628 
1 1 1  -10    3   71 o  282.084   5.0584  541.727   19.336  546.351   27.384  537.130   27.306  283.288   7.1332  280.879   7.1740 2.408539 10.11676 
1 1 1  -10    3   72 o  226.035   4.8644  347.675   14.897  338.050   20.840  357.731   21.302  222.834   6.9013  229.236   6.8574 -6.401932 9.728880 
1 1 1  -10    3   73 o  131.106   5.2712  117.046   9.3421  106.098   12.990  128.774   13.445  124.738   7.6850  137.474   7.2169 -12.73631 10.54241 
1 1 1  -10    3   74 o  175.146   5.9879  209.313   13.513  210.543   23.016  208.666   16.693  175.312   9.6881  174.980   7.0399 0.3321228 11.97577 
1 1 1  -10    3   75 o  156.761   5.0656  167.635   10.759  163.986   15.222  171.278   15.209  155.044   7.2450  158.478   7.0818 -3.433762 10.13126 
1 1 1  -10    3   76 o  283.737   5.1112  549.544   19.651  559.231   27.916  540.029   27.668  286.225   7.1972  281.250   7.2594 4.975067 10.22246 
1 1 1  -10    3   77 o  121.650   6.3995   97.611   10.124   88.462   12.428  115.654   17.453  113.671   8.0682  129.628   9.9356 -15.95691 12.79893 
1 1 1  -10    3   78 o  120.751   5.4889  100.018   8.9592  108.076   12.669   91.956   12.672  125.676   7.4387  115.825   8.0733 9.851570 10.97780 
1 1 1  -10    3   79 o  109.082   6.9947   76.586   9.6599   67.616   11.485   98.277   17.860   99.176   8.5454  118.987   11.076 -19.81100 13.98949 
1 1 1  -10    3   80 o   58.750   8.4882   24.847   6.5290   20.938   8.9826   29.225   9.5066   53.627   12.578   63.873   11.401 -10.24620 16.97637 
1 1 1  -10    3   81 o  121.229   5.3426  101.073   8.7569   92.674   12.313  109.670   12.457  116.067   7.8283  126.392   7.2727 -10.32522 10.68526 
1 1 1  -10    3   82 o  154.229   6.1803  163.314   12.161  168.496   21.237  160.786   14.834  155.504   10.078  152.954   7.1567 2.549591 12.36050 
1 1 1  -10    3   83 o  107.667   5.6788   80.189   8.2756   75.702   11.700   84.681   11.707  104.591   8.2547  110.744   7.8010 -6.153252 11.35761 
1 1 1  -10    3   84 o   43.876   8.6551   13.481   6.0671   3.5146   8.6791   23.005   8.4846   31.701   12.889   56.051   11.554 -24.35028 17.31016 
1 1 1  -10    3   85 o   89.737   6.1015   56.146   7.4196   56.132   10.529   56.160   10.457   89.716   8.6605   89.757   8.5970 -0.4095459E-01 12.20296 
1 1 1  -10    3   86 o   51.080   8.8273   19.428   6.2011   13.348   8.5653   26.125   8.9894   42.638   13.342   59.522   11.561 -16.88434 17.65457 
1 1 1  -10    3   87 o   39.285   9.2983   10.396   6.8114  -3.2814   11.575   17.641   8.4243   30.265   13.584   48.305   12.701 -18.04025 18.59651 
1 1 1  -10    3   88 o  141.751   7.3460  143.608   14.092  134.260   19.445  153.949   20.452  136.831   10.487  146.671   10.290 -9.840042 14.69208 
1 1 1  -10    3   89 o   41.758   10.889   11.502   8.3101   16.344   11.909   6.9063   11.602   46.339   15.810   37.177   14.978 9.162022 21.77851 
1 1 1  -10    3   90 o   44.056   10.421   13.329   8.0800   23.414   11.489   3.4576   11.366   54.078   15.099   34.033   14.368 20.04480 20.84261 
1 1 1  -10    3   91 o  119.166   10.489  103.288   16.939  103.288   16.939   0.0000   0.0000  119.166   10.489  ?   ?       ?      ? 
1 1 1  -10    3   92 o  147.014   10.044  156.910   20.010  156.910   20.010   0.0000   0.0000  147.014   10.044  ?   ?       ?      ? 
1 1 1  -10    3   93 o   55.456   16.208   25.823   12.947   25.823   12.947   0.0000   0.0000   55.456   16.208  ?   ?       ?      ? 
1 1 1  -10    4    1 o  274.015   4.4078  508.946   16.365  496.979   22.969  521.285   23.322  270.743   6.2603  277.286   6.2067 -6.543060 8.815593 
1 1 1  -10    4    2 o  225.541   5.8273  344.856   17.810  344.856   17.810   0.0000   0.0000  225.541   5.8273  ?   ?       ?      ? 
1 1 1  -10    4    3 o  508.225   6.3685  1752.34   43.861  1747.27   61.937  1757.43   62.121  507.488   9.0062  508.962   9.0068 -1.473663 12.73708 
1 1 1  -10    4    4 o  898.130   10.258  5482.37  124.827  5564.55  178.275  5403.31  174.840  904.725   14.541  891.535   14.472 13.18970 20.51509 
1 1 1  -10    4    5 o  166.486   4.4808  185.364   9.7139  179.050   12.063  197.013   16.384  162.520   5.4772  170.451   7.0931 -7.930359 8.961691 
1 1 1  -10    4    6 o  895.791   11.823  5534.50  125.883  5616.94  146.926  5306.94  244.107  909.469   11.921  882.112   20.421 27.35706 23.64594 
1 1 1  -10    4    7 o  513.277   7.3485  1774.24   44.370  1760.35   51.201  1816.12   88.909  509.489   7.4159  517.064   12.689 -7.575287 14.69693 
1 1 1  -10    4    8 o  210.357   4.9932  305.543   13.743  323.560   17.606  277.441   21.988  218.464   5.9470  202.250   8.0226 16.21408 9.986472 
1 1 1  -10    4    9 o  263.345   4.3651  470.183   15.577  469.624   22.062  470.739   21.998  263.189   6.1858  263.502   6.1604 -0.3130493 8.730104 
1 1 1  -10    4   10 o  314.152   4.7279  669.112   20.127  677.491   28.616  660.908   28.314  316.098   6.6803  312.205   6.6923 3.892914 9.455897 
1 1 1  -10    4   11 o  330.653   4.8638  740.871   21.787  765.016   31.257  718.056   30.383  335.890   6.8670  325.417   6.8899 10.47333 9.727633 
1 1 1  -10    4   12 o  314.608   5.8809  665.513   23.415  687.713   41.639  655.246   28.316  318.352   9.6519  310.864   6.7218 7.488037 11.76181 
1 1 1  -10    4   13 f  168.672   5.8563  192.770   13.376  182.686   18.609  203.549   19.239  164.111   8.3677  173.233   8.1954 -9.121628 11.71253 
1 1 1  -10    4   14 o  375.365   6.4630  950.446   30.757  940.583   37.300  971.399   54.366  372.424   7.3907  378.306   10.605 -5.882111 12.92601 
1 1 1  -10    4   15 o  513.765   7.9707  1801.54   52.300  1821.10   64.214  1762.99   90.136  518.100   9.1461  509.429   13.057 8.670929 15.94131 
1 1 1  -10    4   16 o  395.251   5.4134  1059.28   28.993  1044.23   40.715  1074.77   41.296  392.402   7.6566  398.100   7.6548 -5.698120 10.82683 
1 1 1  -10    4   17 o  751.239   8.7675  3832.04   89.251  3796.01  125.416  3869.00  127.038  747.665   12.378  754.813   12.420 -7.148315 17.53493 
1 1 1  -10    4   18 o  344.743   5.0153  805.831   23.430  808.899   33.163  802.774   33.106  345.398   7.0853  344.088   7.1000 1.310730 10.03050 
1 1 1  -10    4   19 o  798.901   9.2502  4334.23  100.143  4353.38  141.963  4315.25  141.287  800.658   13.084  797.144   13.079 3.513367 18.50033 
1 1 1  -10    4   20 o  141.683   4.7767  135.382   8.8518  133.426   11.107  138.788   14.655  140.298   5.8418  143.069   7.5591 -2.770844 9.553348 
1 1 1  -10    4   21 o  875.399   12.277  5226.94  137.770  5261.00  169.630  5160.90  236.151  880.115   14.223  870.683   20.015 9.430969 24.55333 
1 1 1  -10    4   22 o  759.276   10.825  3927.77  105.391  3952.13  129.783  3880.59  180.592  763.065   12.551  755.487   17.640 7.578430 21.64900 
1 1 1  -10    4   23 o  858.880   9.8670  5007.61  114.834  5065.63  163.584  4951.24  161.240  863.781   13.975  853.978   13.933 9.803467 19.73400 
1 1 1  -10    4   24 o  662.607   7.9024  2978.41   70.957  2968.30  100.102  2988.63  100.596  661.477   11.167  663.737   11.184 -2.260132 15.80478 
1 1 1  -10    4   25 o  693.468   10.074  3241.67   88.699  3329.58  156.517  3200.08  107.654  700.125   16.497  686.810   11.567 13.31476 20.14794 
1 1 1  -10    4   26 o  996.908   13.856  6739.02  175.976  6809.10  307.198  6704.79  214.692  1000.18   22.665  993.634   15.944 6.549194 27.71145 
1 1 1  -10    4   27 o  603.004   7.3426  2465.77   59.997  2493.51   85.377  2438.70   84.330  606.354   10.390  599.654   10.378 6.699585 14.68522 
1 1 1  -10    4   28 o  545.261   6.8017  2015.99   50.257  2029.57   71.310  2002.58   70.841  547.086   9.6186  543.435   9.6195 3.650940 13.60342 
1 1 1  -10    4   29 o  478.223   6.2041  1550.48   40.205  1565.06   57.120  1536.17   56.601  480.451   8.7731  475.996   8.7748 4.455078 12.40827 
1 1 1  -10    4   30 o  775.905   11.069  4081.52  109.734  4105.53  190.281  4069.56  134.320  777.348   18.063  774.462   12.798 2.886719 22.13782 
1 1 1  -10    4   31 o  859.976   12.110  5027.61  133.268  5010.58  229.836  5036.24  163.572  858.527   19.755  861.425   14.012 -2.898010 24.22008 
1 1 1  -10    4   32 o  253.180   5.6618  429.853   18.092  421.888   21.811  447.424   32.395  249.485   6.4512  256.875   9.3063 -7.390182 11.32368 
1 1 1  -10    4   33 o  958.765   10.912  6241.34  141.768  6214.99  199.907  6268.00  201.079  956.731   15.419  960.799   15.444 -4.068054 21.82323 
1 1 1  -10    4   34 o  722.098   8.5214  3537.67   83.385  3547.78  118.080  3527.62  117.771  723.127   12.050  721.069   12.053 2.057190 17.04287 
1 1 1  -10    4   35 o  1115.16   12.543  8449.11  189.527  8589.39  270.938  8314.69  265.218  1124.21   17.784  1106.11   17.694 18.10608 25.08697 
1 1 1  -10    4   36 f  859.286   9.9094  5012.19  115.381  5074.39  164.400  4951.81  161.973  864.537   14.033  854.036   13.995 10.50177 19.81875 
1 1 1  -10    4   37 o  374.598   5.3959  951.380   27.391  951.867   38.718  950.893   38.756  374.694   7.6253  374.502   7.6366 0.1919861 10.79177 
1 1 1  -10    4   38 o  696.603   8.2868  3292.49   78.220  3338.97  111.543  3247.51  109.719  701.438   11.735  691.768   11.704 9.670288 16.57369 
1 1 1  -10    4   39 o  482.179   6.2879  1576.81   41.086  1584.27   58.219  1569.42   57.990  483.314   8.8891  481.044   8.8958 2.270477 12.57578 
1 1 1  -10    4   40 o  322.205   5.0356  703.800   21.985  717.155   31.271  690.747   30.915  325.228   7.0953  319.182   7.1475 6.045654 10.07121 
1 1 1  -10    4   41 o  499.641   6.4486  1693.11   43.658  1721.18   62.214  1665.88   61.281  503.720   9.1141  495.561   9.1253 8.158997 12.89718 
1 1 1  -10    4   42 f  196.713   5.5296  263.702   13.898  258.557   23.947  266.316   17.067  195.230   9.0515  198.197   6.3544 -2.966568 11.05928 
1 1 1  -10    4   43 o  303.805   6.1264  634.223   23.899  600.151   40.376  652.598   29.652  297.383   10.019  310.227   7.0532 -12.84348 12.25279 
1 1 1  -10    4   44 o  366.047   6.5184  915.296   30.713  929.208   38.064  889.338   51.995  370.144   7.5886  361.950   10.601 8.193970 13.03681 
1 1 1  -10    4   45 o  457.427   6.1042  1419.60   37.838  1434.08   53.709  1405.33   53.314  459.744   8.6209  455.110   8.6445 4.633606 12.20850 
1 1 1  -10    4   46 o  549.705   6.9262  2050.88   51.589  2087.42   73.629  2015.64   72.304  554.514   9.7983  544.896   9.7918 9.617310 13.85234 
1 1 1  -10    4   47 o  345.380   7.4072  809.226   34.668  809.226   34.668   0.0000   0.0000  345.380   7.4072  ?   ?       ?      ? 
1 1 1  -10    4   48 o  709.667   10.424  3435.64   94.389  3446.43  115.580  3414.04  163.551  711.968   11.980  707.367   17.062 4.601868 20.84743 
1 1 1  -10    4   49 o  403.177   7.0527  1112.60   36.232  1129.24   44.436  1079.57   62.583  407.895   8.0391  398.459   11.590 9.436493 14.10530 
1 1 1  -10    4   50 o  403.820   6.9395  1096.66   35.662  1140.74   62.830  1075.70   43.315  409.561   11.321  398.078   8.0295 11.48340 13.87900 
1 1 1  -10    4   51 o  264.303   5.8757  480.554   19.894  454.881   33.772  494.195   24.618  258.729   9.6324  269.877   6.7314 -11.14838 11.75134 
1 1 1  -10    4   52 o  294.284   4.9606  587.751   19.782  592.276   28.068  583.286   27.886  295.410   7.0113  293.159   7.0194 2.251190 9.921215 
1 1 1  -10    4   53 o  531.913   6.8109  1923.34   49.092  1904.43   69.008  1942.71   69.852  529.269   9.6215  534.558   9.6427 -5.288879 13.62188 
1 1 1  -10    4   54 o  658.035   7.9936  2948.43   71.279  2929.41  100.382  2967.78  101.231  655.897   11.294  660.173   11.316 -4.275391 15.98712 
1 1 1  -10    4   55 o  318.056   5.1153  686.817   22.045  673.450   30.987  700.515   31.369  314.920   7.2609  321.191   7.2071 -6.270966 10.23052 
1 1 1  -10    4   56 o  456.166   6.1597  1414.68   38.077  1415.42   53.834  1413.94   53.865  456.286   8.7064  456.046   8.7160 0.2395020 12.31949 
1 1 1  -10    4   57 o  194.742   5.4725  254.478   13.814  247.045   17.073  268.566   23.504  190.750   6.6050  198.733   8.7274 -7.982803 10.94502 
1 1 1  -10    4   58 o  101.740   9.9055   70.481   13.657   0.0000   0.0000   70.481   13.657  ?   ?   101.740   9.9055      ?      ? 
1 1 1  -10    4   59 o  221.203   6.6737  332.325   20.005   0.0000   0.0000  332.325   20.005  ?   ?   221.203   6.6737      ?      ? 
1 1 1  -10    4   60 o  134.711   4.8832  123.274   8.9101  128.562   12.685  118.125   12.519  137.567   6.8043  131.854   7.0061 5.712723 9.766463 
1 1 1  -10    4   61 o  102.998   6.3557   72.620   8.5288   73.697   10.725   70.767   14.066  104.113   7.6020  101.883   10.188 2.229309 12.71144 
1 1 1  -10    4   62 o  407.033   7.0322  1121.14   36.622  1104.38   44.767  1155.02   63.672  402.873   8.2000  411.193   11.427 -8.319397 14.06437 
1 1 1  -10    4   63 o  190.002   4.7605  245.090   12.249  233.167   17.045  257.824   17.615  185.223   6.7909  194.781   6.6734 -9.557617 9.521049 
1 1 1  -10    4   64 f  161.910   6.0527  175.598   12.329  170.843   14.796  186.397   22.298  158.528   6.8875  165.292   9.9550 -6.763733 12.10533 
1 1 1  -10    4   65 o  284.801   5.0255  551.355   19.391  536.786   27.099  566.644   27.760  280.945   7.1178  288.656   7.0966 -7.710999 10.05109 
1 1 1  -10    4   66 o  302.435   5.1340  622.236   21.039  633.748   29.839  610.854   29.670  305.224   7.2142  299.645   7.3067 5.579193 10.26804 
1 1 1  -10    4   67 o  410.491   7.2242  1148.76   37.822  1158.66   65.816  1143.88   46.214  411.237   11.810  409.745   8.3230 1.492340 14.44836 
1 1 1  -10    4   68 o  284.987   6.2349  542.675   22.538  585.587   40.280  523.116   27.194  292.722   10.154  277.251   7.2380 15.47076 12.46986 
1 1 1  -10    4   69 o  174.724   4.8958  207.687   11.588  200.280   16.280  215.294   16.498  171.559   7.0026  177.890   6.8440 -6.331421 9.791633 
1 1 1  -10    4   70 o  105.888   5.7564   76.418   8.2588   77.388   11.804   75.488   11.560  106.543   8.1753  105.233   8.1061 1.310524 11.51279 
1 1 1  -10    4   71 o  215.742   4.8678  316.783   14.230  309.518   19.988  324.248   20.262  213.229   6.9172  218.254   6.8509 -5.024689 9.735619 
1 1 1  -10    4   72 o  375.753   5.6521  963.127   28.780  965.338   40.718  960.919   40.685  376.186   7.9873  375.320   7.9992 0.8658447 11.30414 
1 1 1  -10    4   73 o  283.847   6.2085  552.590   22.659  544.801   38.563  556.697   28.004  281.913   10.094  285.780   7.2310 -3.867340 12.41697 
1 1 1  -10    4   74 o  196.490   4.9247  263.151   13.112  267.787   18.678  258.646   18.411  198.198   6.9542  194.783   6.9749 3.415665 9.849402 
1 1 1  -10    4   75 o  318.034   5.2863  690.610   22.782  699.722   32.383  681.682   32.056  320.114   7.4650  315.953   7.4868 4.160767 10.57255 
1 1 1  -10    4   76 o  101.766   5.9309   70.923   8.1779   72.619   11.650   69.276   11.483  102.970   8.3487  100.562   8.4261 2.408028 11.86176 
1 1 1  -10    4   77 o  249.734   6.0708  430.489   19.471  436.132   24.075  419.818   33.108  252.630   7.0323  246.837   9.8977 5.792984 12.14156 
1 1 1  -10    4   78 o  112.702   7.4752   93.515   10.317  103.499   12.625   73.449   17.898  122.914   7.5795  102.490   12.887 20.42472 14.95048 
1 1 1  -10    4   79 o   89.842   6.3146   55.795   7.6066   45.954   10.611   66.198   10.910   81.549   9.6019   98.135   8.2038 -16.58573 12.62924 
1 1 1  -10    4   80 o  182.754   4.8815  228.674   12.067  210.048   16.796  248.542   17.348  175.016   7.0820  190.492   6.7201 -15.47580 9.762914 
1 1 1  -10    4   81 o   82.794   6.4273   47.469   7.2008   50.940   10.288   44.135   10.082   85.808   8.8474   79.780   9.3255 6.028015 12.85466 
1 1 1  -10    4   82 o   66.182   9.3198   30.953   7.6354   35.898   13.562   28.657   9.2389   69.360   14.875   63.003   11.233 6.357365 18.63964 
1 1 1  -10    4   83 o   89.594   6.1172   55.768   7.4201   55.505   10.710   56.011   10.290   89.341   8.8460   89.847   8.4514 -0.5062637 12.23432 
1 1 1  -10    4   84 o   39.158   8.8314   9.5545   5.8330   17.687   8.4968   2.3059   8.0220   48.739   12.727   29.578   12.248 19.16060 17.66278 
1 1 1  -10    4   85 o   92.543   5.9374   59.773   7.4380   62.835   10.515   56.706   10.523   94.988   8.1686   90.098   8.6187 4.889557 11.87471 
1 1 1  -10    4   86 o  163.702   5.9755  182.982   12.568  202.154   21.958  173.641   15.327  169.178   9.5778  158.227   7.1481 10.95187 11.95109 
1 1 1  -10    4   87 o   45.646   9.3770   16.646   6.9900   3.1930   11.814   23.893   8.6706   34.743   14.657   56.550   11.700 -21.80676 18.75408 
1 1 1  -10    4   88 o   72.480   8.1361   36.497   7.6232   44.228   13.342   32.750   9.2887   77.358   12.727   67.603   10.139 9.755096 16.27226 
1 1 1  -10    4   89 o  108.569   7.1239   88.614   9.6213   73.348   16.392   96.637   11.883   99.683   12.135  117.454   7.4661 -17.77059 14.24781 
1 1 1  -10    4   90 o  133.506   10.311  129.121   18.655  129.121   18.655   0.0000   0.0000  133.506   10.311  ?   ?       ?      ? 
1 1 1  -10    4   91 o   87.680   12.108   57.371   14.387   57.371   14.387   0.0000   0.0000   87.680   12.108  ?   ?       ?      ? 
1 1 1  -10    4   92 o   46.677   16.244   17.401   12.595   17.401   12.595   0.0000   0.0000   46.677   16.244  ?   ?       ?      ? 
1 1 1  -10    4   93 o   36.098   14.717   6.8047   11.352   6.8047   11.352   0.0000   0.0000   36.098   14.717  ?   ?       ?      ? 
1 1 1  -10    5    1 o  547.123   6.7574  2029.66   50.085  1976.24   69.802  2086.35   71.908  539.708   9.5440  554.538   9.5689 -14.83044 13.51481 
1 1 1  -10    5    2 o  104.990   3.8123   74.719   5.4227   76.842   7.6962   72.626   7.6418  106.471   5.3341  103.508   5.4480 2.963158 7.624510 
1 1 1  -10    5    3 o  400.869   5.4274  1089.52   29.480  1070.50   41.341  1109.20   42.051  397.310   7.6784  404.429   7.6727 -7.118683 10.85487 
1 1 1  -10    5    4 o  699.063   8.2314  3316.93   77.967  3262.66  109.156  3373.45  111.402  693.230   11.620  704.896   11.662 -11.66644 16.46280 
1 1 1  -10    5    5 o  435.377   5.7337  1285.32   33.825  1264.08   47.435  1307.30   48.247  431.718   8.1080  439.035   8.1094 -7.316864 11.46741 
1 1 1  -10    5    6 o  722.920   10.373  3565.12   96.495  3593.70  119.331  3511.11  164.018  727.487   12.104  718.353   16.849 9.134521 20.74616 
1 1 1  -10    5    7 f  416.311   6.7661  1172.50   36.344  1164.84   44.912  1187.02   61.863  414.432   7.9970  418.189   10.916 -3.757019 13.53215 
1 1 1  -10    5    8 o  112.792   4.2033   85.187   5.9955   83.369   7.2355   89.169   10.710  110.905   4.8143  114.678   6.8916 -3.773117 8.406662 
1 1 1  -10    5    9 o  532.069   7.6356  1956.39   48.569  1997.53   56.952  1846.68   93.001  542.729   7.7436  521.408   13.162 21.32111 15.27110 
1 1 1  -10    5   10 o  472.255   6.9196  1494.72   38.451  1476.35   44.329  1550.52   77.273  466.624   7.0103  477.886   11.932 -11.26147 13.83911 
1 1 1  -10    5   11 o  398.842   6.5631  1077.64   33.619  1074.46   41.370  1083.82   57.690  398.053   7.6694  399.632   10.653 -1.578491 13.12623 
1 1 1  -10    5   12 o  452.522   5.8961  1387.87   36.144  1430.09   51.908  1348.13   50.358  459.198   8.3417  445.845   8.3350 13.35260 11.79216 
1 1 1  -10    5   13 o  756.841   10.868  3930.58  105.658  4014.18  130.874  3774.13  179.049  768.898   12.560  744.782   17.740 24.11591 21.73659 
1 1 1  -10    5   14 o  260.414   4.4169  459.543   15.583  445.616   21.813  474.059   22.270  256.386   6.2781  264.443   6.2145 -8.057343 8.833731 
1 1 1  -10    5   15 o  187.917   4.9003  243.698   11.948  255.510   15.088  223.831   19.568  194.151   5.7346  181.683   7.9477 12.46773 9.800602 
1 1 1  -10    5   16 o  318.188   5.8993  701.256   24.317  741.711   30.733  633.530   39.765  330.765   6.8565  305.610   9.6017 25.15442 11.79854 
1 1 1  -10    5   17 o  844.854   13.776  4838.86  157.379  5138.77  232.074  4583.52  214.140  868.957   19.708  820.752   19.253 48.20526 27.55172 
1 1 1  -10    5   18 o  438.587   11.757  1305.31   69.877  1305.31   69.877   0.0000   0.0000  438.587   11.757  ?   ?       ?      ? 
1 1 1  -10    5   19 o  411.063   7.8910  1145.64   43.957  1145.64   43.957   0.0000   0.0000  411.063   7.8910  ?   ?       ?      ? 
1 1 1  -10    5   20 o  813.148   9.4006  4485.83  103.561  4583.12  148.502  4393.71  144.496  821.724   13.336  804.573   13.253 17.15033 18.80115 
1 1 1  -10    5   21 o  216.903   4.2798  318.757   12.572  303.564   17.602  334.578   17.963  211.628   6.1378  222.178   5.9662 -10.54997 8.559682 
1 1 1  -10    5   22 o  740.235   8.6762  3715.43   87.003  3624.83  121.159  3811.89  125.014  730.927   12.232  749.543   12.308 -18.61560 17.35232 
1 1 1  -10    5   23 o  488.073   6.2640  1615.16   41.430  1621.58   58.746  1608.80   58.438  489.038   8.8645  487.108   8.8529 1.929688 12.52805 
1 1 1  -10    5   24 o  291.822   9.5623  577.470   37.815  577.470   37.815   0.0000   0.0000  291.822   9.5623  ?   ?       ?      ? 
1 1 1  -10    5   25 f  796.801   11.350  4291.45  115.033  4368.45  201.831  4254.40  139.997  801.776   18.576  791.826   13.047 9.950500 22.69998 
1 1 1  -10    5   26 o  523.806   6.6016  1860.29   46.859  1878.52   66.592  1842.42   65.949  526.347   9.3361  521.265   9.3362 5.082947 13.20327 
1 1 1  -10    5   27 o  710.903   10.245  3397.46   92.567  3524.67  163.395  3337.33  112.333  720.401   16.737  701.405   11.818 18.99530 20.48912 
1 1 1  -10    5   28 o  1317.01   17.962 11724.13  300.333 12079.58  530.247 11556.23  364.425  1330.38   29.412  1303.64   20.629 26.74585 35.92463 
1 1 1  -10    5   29 o  263.746   5.5499  470.126   18.848  476.211   32.228  466.962   23.236  265.018   8.9739  262.474   6.5327 2.543945 11.09987 
1 1 1  -10    5   30 o  407.033   6.9741  1140.71   36.329  1178.34   44.967  1069.98   61.648  416.908   7.9593  397.159   11.454 19.74857 13.94819 
1 1 1  -10    5   31 o  540.612   8.3563  1988.57   57.646  2000.23   70.626  1965.30   99.780  543.107   9.5961  538.116   13.683 4.991028 16.71261 
1 1 1  -10    5   32 o  764.482   8.9393  3964.70   92.596  4032.55  132.312  3899.56  129.630  770.888   12.666  758.075   12.619 12.81360 17.87868 
1 1 1  -10    5   33 o  415.250   5.6958  1169.03   32.050  1178.53   45.504  1159.67   45.150  416.924   8.0540  413.575   8.0561 3.349152 11.39155 
1 1 1  -10    5   34 o  548.628   6.8681  2041.34   51.061  2051.52   72.431  2031.29   71.994  549.987   9.7183  547.268   9.7076 2.719116 13.73621 
1 1 1  -10    5   35 o  658.298   7.9109  2940.25   70.572  2937.81   99.786  2942.69   99.821  658.025   11.190  658.571   11.185 -0.5458984 15.82174 
1 1 1  -10    5   36 o  564.262   7.0209  2159.61   53.684  2178.67   76.291  2140.92   75.556  566.728   9.9338  561.797   9.9244 4.930908 14.04190 
1 1 1  -10    5   37 o  687.907   8.2019  3211.54   76.458  3225.38  108.404  3197.85  107.854  689.381   11.604  686.434   11.595 2.946960 16.40377 
1 1 1  -10    5   38 o  444.375   5.9752  1337.90   35.964  1387.19   51.822  1292.11   49.952  452.262   8.4556  436.489   8.4449 15.77380 11.95047 
1 1 1  -10    5   39 o  412.972   5.7214  1155.72   32.007  1195.44   45.986  1118.39   44.576  419.850   8.0825  406.094   8.1001 13.75607 11.44287 
1 1 1  -10    5   40 o  237.369   4.6261  381.897   14.876  368.658   20.866  395.579   21.213  233.185   6.6033  241.552   6.4806 -8.366852 9.252164 
1 1 1  -10    5   41 o  576.935   8.7757  2232.07   64.105  2340.24  114.270  2182.39   77.438  586.777   14.371  567.094   10.077 19.68304 17.55148 
1 1 1  -10    5   42 o  599.476   10.426  2440.12   84.626  2529.45  122.810  2359.35  116.777  609.891   14.859  589.060   14.629 20.83075 20.85201 
1 1 1  -10    5   43 o  485.669   7.6897  1574.86   47.481  1526.84   57.470  1678.15   84.277  474.364   8.9402  496.975   12.514 -22.61185 15.37932 
1 1 1  -10    5   44 o  308.293   5.0061  644.518   20.913  634.438   29.375  654.877   29.779  305.849   7.0875  310.737   7.0718 -4.888306 10.01213 
1 1 1  -10    5   45 o  136.088   6.7064  125.604   12.368  125.604   12.368   0.0000   0.0000  136.088   6.7064  ?   ?       ?      ? 
1 1 1  -10    5   46 o  523.784   6.7118  1862.73   47.639  1854.57   67.141  1871.00   67.606  522.630   9.4800  524.938   9.5037 -2.307922 13.42355 
1 1 1  -10    5   47 o  239.992   5.8453  382.673   17.577  369.969   20.992  412.471   32.149  233.542   6.6330  246.441   9.6266 -12.89909 11.69052 
1 1 1  -10    5   48 o  409.293   8.1101  1137.12   44.983  1137.12   44.983   0.0000   0.0000  409.293   8.1101  ?   ?       ?      ? 
1 1 1  -10    5   49 o  551.153   8.5092  2040.18   59.520  2143.72  105.653  1992.05   72.039  560.867   13.901  541.439   9.8182 19.42767 17.01848 
1 1 1  -10    5   50 o  831.615   11.905  4695.86  125.846  4824.33  221.402  4634.54  152.957  838.680   19.481  824.550   13.689 14.13098 23.80924 
1 1 1  -10    5   51 o  432.822   5.9452  1272.44   34.871  1277.02   49.362  1267.88   49.267  433.601   8.4007  432.044   8.4149 1.557495 11.89045 
1 1 1  -10    5   52 o  115.723   5.0823   90.895   7.9653   95.273   11.356   86.655   11.175  118.469   7.0739  112.977   7.2992 5.491844 10.16451 
1 1 1  -10    5   53 f  372.848   6.7121  960.037   32.455  999.730   40.878  892.349   53.382  383.645   7.8629  362.049   10.880 21.59589 13.42415 
1 1 1  -10    5   54 o  204.666   5.6652  277.674   14.816  305.165   26.205  264.757   17.963  211.848   9.1281  197.484   6.7122 14.36391 11.33034 
1 1 1  -10    5   55 o  573.745   7.2160  2234.16   56.017  2371.90   82.010  2113.68   76.697  590.260   10.253  557.229   10.157 33.03064 14.43201 
1 1 1  -10    5   56 o  234.518   4.7424  373.341   15.069  383.571   21.507  363.476   21.119  237.674   6.6774  231.361   6.7360 6.313934 9.484807 
1 1 1  -10    5   57 o  106.205   6.4792   74.849   8.7473   82.207   15.629   71.492   10.555  109.841   10.500  102.569   7.5940 7.271629 12.95830 
1 1 1  -10    5   58 o  121.312   6.3351  103.410   9.6954   90.758   16.585  109.979   11.950  115.386   10.607  127.238   6.9306 -11.85187 12.67014 
1 1 1  -10    5   59 o  354.137   5.4002  852.498   25.915  842.086   36.452  863.139   36.849  351.950   7.6429  356.324   7.6313 -4.374146 10.80046 
1 1 1  -10    5   60 o  101.461   5.4520   70.007   7.4950   69.532   10.670   70.469   10.531  101.118   7.7866  101.803   7.6333 -0.6855621 10.90403 
1 1 1  -10    5   61 o  444.697   7.3745  1321.40   41.665  1272.14   50.337  1428.60   74.254  432.292   8.5926  457.102   11.987 -24.80942 14.74891 
1 1 1  -10    5   62 o  373.740   5.5969  949.637   28.333  926.351   39.343  974.727   40.838  368.993   7.8680  378.486   7.9623 -9.493622 11.19386 
1 1 1  -10    5   63 o  233.479   6.0127  371.088   17.694  370.850   21.402  371.603   31.450  233.577   6.7616  233.382   9.9444 0.1949615 12.02539 
1 1 1  -10    5   64 o  100.524   5.6483   68.982   7.6584   61.207   10.812   76.810   10.849   94.798   8.4162  106.251   7.5352 -11.45275 11.29655 
1 1 1  -10    5   65 o  240.214   4.8274  392.276   15.708  377.168   22.037  407.880   22.397  235.504   6.9052  244.925   6.7479 -9.420685 9.654831 
1 1 1  -10    5   66 o  147.227   5.0516  147.498   10.076  143.932   14.263  151.051   14.237  145.443   7.2366  149.012   7.0504 -3.569046 10.10328 
1 1 1  -10    5   67 o  348.974   6.6991  827.927   29.754  841.407   52.093  821.399   36.248  350.632   10.963  347.316   7.7016 3.315948 13.39819 
1 1 1  -10    5   68 o   95.557   6.0157   62.221   7.7872   64.362   11.173   60.199   10.859   97.156   8.4864   93.959   8.5285 3.197449 12.03140 
1 1 1  -10    5   69 o  128.589   5.2855  112.584   9.1505   96.139   12.692  130.384   13.204  118.776   7.8855  138.402   7.0404 -19.62601 10.57109 
1 1 1  -10    5   70 o  268.263   5.0215  489.954   18.253  496.613   26.008  483.491   25.625  270.058   7.1066  266.468   7.0964 3.589996 10.04304 
1 1 1  -10    5   71 o  245.260   4.9167  409.597   16.340  413.661   23.306  405.668   22.915  246.452   6.9783  244.068   6.9283 2.383789 9.833493 
1 1 1  -10    5   72 o   61.156   9.7098   26.656   7.5873   27.364   12.772   26.270   9.4320   61.540   15.363   60.771   11.879 0.7695656 19.41955 
1 1 1  -10    5   73 o  268.148   4.9977  490.160   18.159  500.286   25.855  480.304   25.508  270.886   7.0434  265.409   7.0922 5.476563 9.995432 
1 1 1  -10    5   74 o  140.729   5.1092  135.125   9.7392  140.815   13.889  129.621   13.660  143.655   7.1348  137.802   7.3150 5.852936 10.21831 
1 1 1  -10    5   75 o  121.874   5.4149  101.599   8.9384   98.842   12.717  104.292   12.566  120.217   7.8060  123.530   7.5066 -3.312851 10.82972 
1 1 1  -10    5   76 o   92.797   6.2514   59.478   7.8108   65.575   10.884   53.004   11.216   97.814   8.2112   87.781   9.4285 10.03324 12.50282 
1 1 1  -10    5   77 o  165.788   6.9801  187.963   15.682  187.963   15.682   0.0000   0.0000  165.788   6.9801  ?   ?       ?      ? 
1 1 1  -10    5   78 o  102.941   5.7372   72.798   7.9899   67.325   11.188   78.495   11.414   98.952   8.3434  106.930   7.8770 -7.978798 11.47431 
1 1 1  -10    5   79 o   33.353   9.0848   5.0532   5.9392   8.2073   8.2807   1.7116   8.5232   36.605   13.132   30.101   12.557 6.503506 18.16969 
1 1 1  -10    5   80 f  155.142   4.9554  165.133   10.413  172.369   14.883  158.194   14.575  158.492   6.9295  151.792   7.0856 6.700043 9.910817 
1 1 1  -10    5   81 o  116.372   5.4200   93.322   8.5437   97.173   12.197   89.613   11.971  118.750   7.5797  113.994   7.7494 4.755760 10.83992 
1 1 1  -10    5   82 o  133.985   6.4268  125.148   10.930  124.362   19.083  125.532   13.334  133.036   10.585  134.933   7.2923 -1.896393 12.85369 
1 1 1  -10    5   83 o   28.677   8.3497   0.4772   5.6051   6.5925   7.9959  -5.4311   7.8594   34.044   12.787   23.310   10.741 10.73372 16.69945 
1 1 1  -10    5   84 o  104.950   7.1556   81.646   9.4103   65.740   15.732   90.507   11.743   95.662   12.136  114.239   7.5852 -18.57716 14.31129 
1 1 1  -10    5   85 o  106.118   6.6921   77.522   9.2110   85.948   15.773   73.162   11.347  109.865   10.594  102.371   8.1792 7.493980 13.38429 
1 1 1  -10    5   86 o   68.116   8.6453   33.239   7.5341   38.244   12.660   30.494   9.3749   70.960   13.661   65.273   10.599 5.687439 17.29061 
1 1 1  -10    5   87 o   97.557   7.0534   66.744   8.9155   72.458   15.221   63.760   11.000   99.997   11.233   95.118   8.5337 4.878212 14.10672 
1 1 1  -10    5   88 o   64.838   8.9989   28.389   7.5170   47.148   13.078   19.135   9.1859   80.014   12.062   49.662   13.358 30.35135 17.99771 
1 1 1  -10    5   89 o   41.954   11.303   11.548   8.8462   9.1223   11.658   14.840   13.582   38.864   15.222   45.043   16.714 -6.178741 22.60676 
1 1 1  -10    5   90 o   58.663   15.460   28.068   12.464   28.068   12.464   0.0000   0.0000   58.663   15.460  ?   ?       ?      ? 
1 1 1  -10    5   91 o  104.487   11.290   80.781   15.985   80.781   15.985   0.0000   0.0000  104.487   11.290  ?   ?       ?      ? 
1 1 1  -10    5   92 o   29.857   13.305  -1.1894   10.896  -1.1894   10.896   0.0000   0.0000   29.857   13.305  ?   ?       ?      ? 
1 1 1  -10    5   93 o   36.643   14.820   7.5606   11.406   7.5606   11.406   0.0000   0.0000   36.643   14.820  ?   ?       ?      ? 
1 1 1  -10    6    1 o  570.789   8.4967  2212.74   62.254  2205.26  106.699  2216.60   76.653  569.916   13.816  571.663   9.8948 -1.746643 16.99339 
1 1 1  -10    6    2 o  394.327   6.5132  1046.95   32.965  1078.06   56.964  1031.29   40.421  398.643   10.545  390.010   7.6481 8.632721 13.02632 
1 1 1  -10    6    3 o  384.093   6.3556  960.783   30.849  1109.63   56.328  897.011   36.870  404.448   10.277  363.739   7.4799 40.70886 12.71112 
1 1 1  -10    6    4 o  684.387   11.446  3178.21  106.159   0.0000   0.0000  3178.21  106.159  ?   ?   684.387   11.446      ?      ? 
1 1 1  -10    6    5 o  366.261   6.2937  916.844   29.737  886.195   50.043  933.574   36.974  361.442   10.217  371.081   7.3526 -9.639099 12.58750 
1 1 1  -10    6    6 o  661.197   9.6011  2983.72   81.644  2918.55  138.701  3018.26  100.995  655.428   15.616  666.966   11.174 -11.53815 19.20213 
1 1 1  -10    6    7 o  400.807   6.6192  1099.19   34.250  1122.29   42.651  1057.25   57.470  406.849   7.7360  394.765   10.743 12.08395 13.23832 
1 1 1  -10    6    8 o  429.638   11.198  1252.41   65.198   0.0000   0.0000  1252.41   65.198  ?   ?   429.638   11.198      ?      ? 
1 1 1  -10    6    9 o  569.334   8.0259  2213.32   54.294  2228.71   63.214  2170.07  106.007  573.319   8.1364  565.348   13.837 7.970642 16.05181 
1 1 1  -10    6   10 o  659.505   8.9794  2813.41   67.605  2703.02   76.389  3212.28  145.206  631.345   8.9286  687.665   15.582 -56.32043 17.95889 
1 1 1  -10    6   11 o  551.513   7.9183  2062.26   59.179  2062.26   59.179   0.0000   0.0000  551.513   7.9183  ?   ?       ?      ? 
1 1 1  -10    6   12 o  826.314   10.978  4621.72  106.647  4605.66  123.165  4669.84  213.194  823.953   11.031  828.675   18.985 -4.721436 21.95682 
1 1 1  -10    6   13 o  814.718   10.828  4480.92  103.508  4454.28  119.349  4561.79  207.919  810.326   10.869  819.110   18.731 -8.784302 21.65622 
1 1 1  -10    6   14 o  454.216   5.9381  1398.67   36.548  1377.89   51.376  1419.97   52.003  450.799   8.4100  457.634   8.3855 -6.834137 11.87620 
1 1 1  -10    6   15 o  271.138   6.4149  498.311   23.570  498.311   23.570   0.0000   0.0000  271.138   6.4149  ?   ?       ?      ? 
1 1 1  -10    6   17 o  651.758   11.026  2881.35   97.380  2881.35   97.380   0.0000   0.0000  651.758   11.026  ?   ?       ?      ? 
1 1 1  -10    6   18 o  501.138   9.0231  1702.86   61.277  1702.86   61.277   0.0000   0.0000  501.138   9.0231  ?   ?       ?      ? 
1 1 1  -10    6   19 o  273.477   4.5848  506.276   16.979  532.641   24.488  481.863   23.563  280.326   6.4462  266.628   6.5214 13.69791 9.169643 
1 1 1  -10    6   20 o  626.763   7.5607  2663.79   64.210  2700.42   91.600  2628.42   90.034  630.996   10.712  622.529   10.672 8.466614 15.12136 
1 1 1  -10    6   21 o  552.416   6.8610  2065.50   51.313  1974.16   70.771  2166.75   74.508  539.563   9.6790  565.268   9.7267 -25.70453 13.72196 
1 1 1  -10    6   22 o  692.926   10.102  3261.03   89.304  3252.54  154.988  3265.25  109.267  692.050   16.526  693.802   11.622 -1.752441 20.20357 
1 1 1  -10    6   23 o  1192.39   26.814  9691.63  433.279   0.0000   0.0000  9691.63  433.279  ?   ?   1192.39   26.814      ?      ? 
1 1 1  -10    6   24 o  644.522   10.983  2813.15   95.778  2694.98  131.053  2948.63  140.323  630.046   15.349  658.998   15.713 -28.95258 21.96602 
1 1 1  -10    6   25 o  147.506   5.0561  145.598   9.7003  154.117   16.390  141.006   12.034  150.776   8.0218  144.236   6.1569 6.539810 10.11223 
1 1 1  -10    6   26 o  629.901   7.6071  2690.88   64.931  2714.80   92.339  2667.48   91.323  632.669   10.770  627.132   10.746 5.536926 15.21413 
1 1 1  -10    6   27 o  963.281   10.954  6299.41  142.974  6221.93  200.585  6379.42  203.846  957.265   15.463  969.297   15.519 -12.03247 21.90732 
1 1 1  -10    6   28 o  378.814   5.3875  972.218   27.648  1003.36   39.648  942.742   38.574  384.715   7.6051  372.912   7.6331 11.80289 10.77506 
1 1 1  -10    6   29 o  583.722   8.8519  2315.99   65.913  2323.79   80.677  2300.33  114.306  585.347   10.171  582.097   14.491 3.250122 17.70381 
1 1 1  -10    6   30 o  582.466   7.1781  2301.06   56.658  2302.89   80.165  2299.23   80.088  582.698   10.152  582.234   10.150 0.4632568 14.35616 
1 1 1  -10    6   31 o  892.946   10.248  5411.48  123.978  5296.67  172.930  5532.89  177.837  883.212   14.448  902.680   14.538 -19.46820 20.49664 
1 1 1  -10    6   32 o  629.938   7.6523  2692.05   65.324  2678.61   92.162  2705.62   92.602  628.358   10.823  631.518   10.821 -3.160583 15.30463 
1 1 1  -10    6   33 o  599.970   7.3540  2441.86   59.790  2423.52   84.229  2460.48   84.885  597.700   10.399  602.240   10.401 -4.540039 14.70798 
1 1 1  -10    6   34 o  458.417   6.1005  1424.88   37.893  1444.30   54.054  1406.11   53.137  461.488   8.6433  455.346   8.6113 6.141418 12.20092 
1 1 1  -10    6   35 o  1203.11   13.500  9848.67  220.061 10041.36  315.200  9665.42  307.375  1214.57   19.151  1191.65   19.034 22.91980 27.00093 
1 1 1  -10    6   36 o  677.961   8.1206  3118.70   74.592  3179.04  106.741  3061.12  104.281  684.365   11.510  671.558   11.459 12.80743 16.24112 
1 1 1  -10    6   37 o  883.991   10.174  5309.48  121.867  5360.80  173.388  5259.39  171.322  888.208   14.405  879.773   14.370 8.434998 20.34731 
1 1 1  -10    6   38 o  411.040   5.7311  1145.69   31.921  1129.01   44.831  1162.85   45.461  408.005   8.1082  414.076   8.1017 -6.070953 11.46214 
1 1 1  -10    6   40 o  308.111   6.2218  651.093   24.516  622.453   41.880  666.024   30.239  302.831   10.205  313.390   7.1203 -10.55890 12.44368 
1 1 1  -10    6   41 o  466.016   7.4883  1469.03   44.747  1457.81   54.910  1491.21   77.206  463.527   8.7416  468.506   12.161 -4.979095 14.97655 
1 1 1  -10    6   42 o  474.640   6.2941  1528.67   40.480  1518.36   56.813  1539.30   57.693  473.018   8.8631  476.263   8.9390 -3.244598 12.58815 
1 1 1  -10    6   43 o  226.366   4.6304  347.319   14.198  361.251   20.325  334.042   19.843  230.799   6.4987  221.934   6.5977 8.864853 9.260768 
1 1 1  -10    6   44 o  594.518   7.3559  2400.09   59.253  2444.24   84.747  2357.88   82.877  599.862   10.425  589.175   10.380 10.68683 14.71181 
1 1 1  -10    6   45 o  399.684   7.0194  1079.92   35.531  1070.70   43.069  1099.56   62.866  397.199   8.0016  402.169   11.535 -4.969543 14.03871 
1 1 1  -10    6   46 o  344.703   6.5751  813.691   28.812  826.796   35.268  787.392   49.960  349.055   7.4559  340.350   10.832 8.705292 13.15012 
1 1 1  -10    6   47 o  273.699   4.8399  507.927   17.943  486.714   25.042  530.304   25.720  267.828   6.8998  279.570   6.7890 -11.74249 9.679747 
1 1 1  -10    6   48 o  210.509   6.3273  300.921   18.037  303.659   26.052  298.400   24.997  211.420   9.0931  209.598   8.8008 1.821442 12.65460 
1 1 1  -10    6   49 o  156.536   6.3921  165.674   13.524  178.570   20.014  154.838   18.347  162.110   9.1106  150.961   8.9685 11.14938 12.78428 
1 1 1  -10    6   50 o  694.815   8.3654  3277.36   78.632  3476.49  115.359  3104.55  107.464  714.440   11.915  675.191   11.745 39.24860 16.73077 
1 1 1  -10    6   51 o  258.793   4.7950  454.440   16.813  465.685   24.037  443.670   23.525  261.927   6.7721  255.660   6.7903 6.267303 9.590074 
1 1 1  -10    6   52 o  187.534   4.5844  238.780   11.645  229.955   16.457  247.629   16.479  184.057   6.5980  191.011   6.3665 -6.953964 9.168738 
1 1 1  -10    6   53 o  354.643   5.3628  854.253   25.771  863.065   36.707  845.688   36.191  356.445   7.5993  352.842   7.5689 3.602875 10.72556 
1 1 1  -10    6   54 o  336.667   5.2580  769.983   23.988  763.151   33.905  776.831   33.944  335.168   7.4648  338.166   7.4071 -2.997742 10.51609 
1 1 1  -10    6   55 o  188.315   4.6584  240.934   11.881  232.733   16.869  249.006   16.736  185.126   6.7241  191.505   6.4490 -6.379745 9.316830 
1 1 1  -10    6   56 o  360.586   6.6326  876.406   30.369  909.775   53.697  860.715   36.823  365.304   10.847  355.869   7.6357 9.434784 13.26518 
1 1 1  -10    6   57 o  126.729   5.0483  108.819   8.6530  118.734   12.583   99.924   11.918  132.196   7.0241  121.263   7.2527 10.93314 10.09652 
1 1 1  -10    6   58 o  345.907   5.3376  813.255   25.017  825.851   35.688  801.084   35.079  348.539   7.5559  343.275   7.5410 5.263641 10.67513 
1 1 1  -10    6   59 o  202.316   4.7035  278.104   12.895  276.760   18.289  279.433   18.184  201.827   6.6869  202.805   6.6166 -0.9780273 9.407077 
1 1 1  -10    6   60 o  301.732   6.1552  628.581   24.048  651.162   30.186  589.353   39.787  309.486   7.1975  293.978   9.9872 15.50854 12.31044 
1 1 1  -10    6   61 o  333.423   7.4728  756.115   33.765  756.115   33.765   0.0000   0.0000  333.423   7.4728  ?   ?       ?      ? 
1 1 1  -10    6   62 f  130.544   6.3223  107.252   10.397   93.935   12.294  140.706   19.485  117.494   7.7211  143.593   10.014 -26.09906 12.64463 
1 1 1  -10    6   63 o  265.054   4.9334  477.486   17.712  458.328   24.762  497.560   25.347  259.604   7.0386  270.504   6.9146 -10.90002 9.866821 
1 1 1  -10    6   64 o  131.032   5.1257  116.769   9.0975  118.135   13.092  115.493   12.651  131.767   7.3321  130.297   7.1647 1.469498 10.25143 
1 1 1  -10    6   65 o  221.748   4.8881  334.208   14.683  345.953   21.100  323.182   20.444  225.524   6.9042  217.973   6.9214 7.550537 9.776157 
1 1 1  -10    6   66 f   96.928   7.7674   68.587   9.1135   54.157   16.196   75.273   11.025   88.723   13.470  105.134   7.7382 -16.41086 15.53479 
1 1 1  -10    6   67 o  309.553   6.3759  653.307   25.181  655.884   43.745  652.029   30.794  309.635   10.425  309.471   7.3429 0.1646423 12.75183 
1 1 1  -10    6   68 o   74.020   6.9992   37.468   7.0200   37.132   9.9665   37.799   9.8895   73.685   9.9811   74.355   9.8149 -0.6696014 13.99836 
1 1 1  -10    6   69 o  257.588   4.9661  451.495   17.326  472.505   24.826  431.545   24.191  263.439   6.9542  251.738   7.0914 11.70131 9.932199 
1 1 1  -10    6   70 o  190.208   5.7969  239.680   14.183  269.668   24.851  225.193   17.273  198.590   9.2343  181.826   7.0102 16.76357 11.59376 
1 1 1  -10    6   71 o  161.305   6.1283  180.279   12.712  169.842   21.363  186.001   15.818  157.406   10.015  165.204   7.0657 -7.797943 12.25650 
1 1 1  -10    6   72 o  144.999   5.1149  143.411   10.049  146.537   14.240  140.311   14.183  146.581   7.1689  143.417   7.2976 3.164642 10.22976 
1 1 1  -10    6   73 o  198.254   4.8680  268.069   13.078  264.970   18.390  271.241   18.602  197.095   6.8853  199.414   6.8835 -2.318954 9.736046 
1 1 1  -10    6   74 o   84.953   6.4457   49.514   7.4186   48.076   10.378   51.016   10.609   83.688   9.1511   86.217   9.0798 -2.529152 12.89133 
1 1 1  -10    6   75 o  200.090   6.2283  274.932   15.602  274.954   18.778  274.883   28.034  200.615   6.9073  199.566   10.366 1.049133 12.45666 
1 1 1  -10    6   76 o   61.588   11.753   27.201   9.4516   27.201   9.4516   0.0000   0.0000   61.588   11.753  ?   ?       ?      ? 
1 1 1  -10    6   77 o   54.823   9.5267   22.836   7.3962   29.290   9.5112   12.961   11.764   64.938   10.808   44.707   15.691 20.23179 19.05337 
1 1 1  -10    6   78 f  121.028   5.3415  100.605   8.7353  110.892   12.507   90.809   12.205  127.131   7.2599  114.926   7.8370 12.20504 10.68293 
1 1 1  -10    6   79 o  218.359   4.8925  327.192   14.474  336.207   20.546  318.310   20.394  221.372   6.8489  215.345   6.9885 6.027390 9.785062 
1 1 1  -10    6   80 o  121.927   5.3878  102.607   8.8690  113.655   12.628   91.852   12.459  128.511   7.2511  115.343   7.9710 13.16792 10.77568 
1 1 1  -10    6   81 o  215.904   6.0436  320.577   16.658  332.339   29.080  314.832   20.323  217.989   9.8440  213.818   7.0140 4.171661 12.08722 
1 1 1  -10    6   82 o   58.414   9.5981   27.659   7.4935   16.326   12.958   33.354   9.1852   47.886   16.487   68.941   9.8316 -21.05485 19.19620 
1 1 1  -10    6   83 o  134.529   6.2185  121.214   10.787  143.898   18.957  110.352   13.118  142.953   9.7856  126.105   7.6761 16.84797 12.43710 
1 1 1  -10    6   84 o  130.921   6.5146  124.238   10.840  108.860   18.167  132.741   13.509  123.495   10.855  138.348   7.2054 -14.85233 13.02911 
1 1 1  -10    6   85 o   65.371   9.2489   36.625   7.7882   16.891   12.637   48.711   9.8899   47.542   16.286   83.201   8.7717 -35.65891 18.49784 
1 1 1  -10    6   86 o   59.715   9.5760   27.364   7.3179   27.519   12.335   27.280   9.0903   58.962   15.304   60.468   11.514 -1.505695 19.15196 
1 1 1  -10    6   87 o   57.492   11.469   26.955   9.2898   28.214   12.120   25.163   14.464   59.571   15.018   55.413   17.338 4.158825 22.93763 
1 1 1  -10    6   88 o   53.514   11.809   23.400   9.4253   23.279   12.349   23.568   14.588   53.564   15.878   53.464   17.484 0.1002808 23.61766 
1 1 1  -10    6   89 o   89.164   9.7633   62.628   11.130   70.783   14.863   52.218   16.792   98.125   11.177   80.203   16.011 17.92187 19.52653 
1 1 1  -10    6   90 o  136.691   10.227  136.126   18.943  136.126   18.943   0.0000   0.0000  136.691   10.227  ?   ?       ?      ? 
1 1 1  -10    6   91 o   34.341   14.441   4.4500   11.410   4.4500   11.410   0.0000   0.0000   34.341   14.441  ?   ?       ?      ? 
1 1 1  -10    6   92 o   61.816   14.853   31.392   12.287   31.392   12.287   0.0000   0.0000   61.816   14.853  ?   ?       ?      ? 
1 1 1  -10    6   93 o   44.564   15.657   16.078   11.714   16.078   11.714   0.0000   0.0000   44.564   15.657  ?   ?       ?      ? 
1 1 1  -10    7    1 o  641.535   9.4777  2799.95   77.661  2771.91  134.224  2814.06   95.218  638.948   15.502  644.122   10.909 -5.174500 18.95533 
1 1 1  -10    7    2 o  544.092   6.7596  2005.40   49.813  1944.46   69.081  2071.40   71.894  535.493   9.5197  552.692   9.5991 -17.19940 13.51915 
1 1 1  -10    7    3 o  342.918   5.0239  797.062   23.345  810.231   33.156  784.115   32.875  345.728   7.0768  340.109   7.1328 5.618774 10.04783 
1 1 1  -10    7    4 o  850.813   9.7798  4911.06  112.735  4820.29  157.481  5006.46  161.456  842.757   13.789  858.869   13.872 -16.11212 19.55970 
1 1 1  -10    7    5 o  142.282   4.0707  137.151   7.8469  133.124   10.981  141.352   11.217  140.149   5.7820  144.415   5.7317 -4.266541 8.141493 
1 1 1  -10    7    6 o  844.197   9.7148  4836.23  111.131  4791.15  156.153  4882.50  158.192  840.213   13.714  848.180   13.763 -7.967102 19.42951 
1 1 1  -10    7    7 o  338.161   5.0001  775.156   22.913  776.543   32.386  773.766   32.422  338.464   7.0609  337.858   7.0814 0.6062622 10.00011 
1 1 1  -10    7    8 o  551.681   7.9157  2063.30   59.178  2063.30   59.178   0.0000   0.0000  551.681   7.9157  ?   ?       ?      ? 
1 1 1  -10    7    9 o  665.148   11.219  3000.95  101.121  3000.95  101.121   0.0000   0.0000  665.148   11.219  ?   ?       ?      ? 
1 1 1  -10    7   10 o  278.764   5.1327  519.491   17.177  511.315   20.002  542.460   33.526  274.672   5.3738  282.856   8.7465 -8.184052 10.26539 
1 1 1  -10    7   11 o  433.697   6.5735  1264.89   33.766  1253.96   39.092  1297.02   67.005  430.112   6.7070  437.281   11.307 -7.168365 13.14698 
1 1 1  -10    7   12 f  486.163   7.0911  1571.15   40.417  1540.78   46.432  1666.13   82.107  476.759   7.1868  495.568   12.226 -18.80884 14.18211 
1 1 1  -10    7   13 o  1020.08   13.278  7043.82  158.809  7016.38  183.150  7126.96  318.803  1016.85   13.291  1023.31   22.990 -6.462280 26.55525 
1 1 1  -10    7   14 o  720.588   9.7343  3481.12   82.099  3439.92   94.409  3608.93  166.278  712.233   9.7816  728.944   16.833 -16.71045 19.46855 
1 1 1  -10    7   15 o  981.640   12.842  6547.24  148.418  6547.24  171.687  6547.23  295.245  982.312   12.898  980.967   22.210 1.344543 25.68313 
1 1 1  -10    7   16 f  328.591   6.8296  731.441   30.391  695.690   42.310  769.549   43.682  320.301   9.7477  336.880   9.5686 -16.57886 13.65922 
1 1 1  -10    7   17 o  265.747   8.8242  478.820   31.778  478.820   31.778   0.0000   0.0000  265.747   8.8242  ?   ?       ?      ? 
1 1 1  -10    7   18 o  622.140   9.1571  2613.99   72.714  2662.70  126.751  2590.09   88.775  626.295   14.934  617.984   10.601 8.311890 18.31421 
1 1 1  -10    7   19 o  357.829   6.2466  858.513   28.578  896.951   49.947  839.805   34.845  363.681   10.135  351.978   7.3053 11.70267 12.49310 
1 1 1  -10    7   20 o  243.988   6.2874  403.492   20.789   0.0000   0.0000  403.492   20.789  ?   ?   243.988   6.2874      ?      ? 
1 1 1  -10    7   21 o  927.739   13.038  5914.41  155.710  5634.35  262.104  6067.16  193.571  910.133   21.251  945.346   15.110 -35.21344 26.07552 
1 1 1  -10    7   22 o  796.998   9.2538  4308.41   99.921  4217.62  139.474  4404.14  143.219  788.378   13.055  805.617   13.119 -17.23816 18.50758 
1 1 1  -10    7   23 o  417.709   5.6921  1182.34   32.212  1149.10   45.021  1217.21   46.108  411.696   8.0697  423.722   8.0299 -12.02606 11.38419 
1 1 1  -10    7   24 o  507.522   6.4733  1746.30   44.517  1769.35   63.481  1724.00   62.445  510.815   9.1705  504.229   9.1388 6.586761 12.94665 
1 1 1  -10    7   25 o  430.761   5.8138  1257.60   33.931  1228.31   47.483  1288.17   48.504  425.637   8.2322  435.885   8.2116 -10.24887 11.62752 
1 1 1  -10    7   26 o  444.157   5.9337  1337.50   35.713  1321.79   50.281  1353.49   50.734  441.525   8.4037  446.790   8.3794 -5.265015 11.86743 
1 1 1  -10    7   27 o  941.823   15.277  6038.45  194.973  6005.31  274.734  6072.07  276.743  939.224   21.585  944.422   21.624 -5.198547 30.55337 
1 1 1  -10    7   28 o  756.687   12.639  3892.23  129.598  3931.59  184.568  3853.96  182.017  760.454   17.910  752.919   17.839 7.534607 25.27886 
1 1 1  -10    7   29 o  400.667   6.9408  1080.49   35.228  1065.60   42.654  1112.43   62.479  396.433   7.9398  404.901   11.387 -8.468384 13.88164 
1 1 1  -10    7   30 o  752.090   8.8367  3837.86   90.042  3918.81  129.029  3761.03  125.712  759.813   12.531  744.367   12.463 15.44586 17.67341 
1 1 1  -10    7   31 o  711.719   8.4417  3437.66   81.412  3476.97  115.987  3399.49  114.300  715.727   11.959  707.712   11.918 8.015381 16.88340 
1 1 1  -10    7   32 f  372.274   7.6748  939.734   38.718  939.734   38.718   0.0000   0.0000  372.274   7.6748  ?   ?       ?      ? 
1 1 1  -10    7   33 o  440.764   5.9558  1315.11   35.540  1251.83   49.054  1385.02   51.562  429.625   8.4257  451.902   8.4199 -22.27707 11.91161 
1 1 1  -10    7   34 o  567.041   7.0710  2181.26   54.330  2150.06   76.228  2213.47   77.455  562.921   9.9928  571.161   10.007 -8.239990 14.14205 
1 1 1  -10    7   35 o  741.024   8.7510  3728.02   87.866  3671.76  123.097  3786.46  125.459  735.329   12.353  746.719   12.398 -11.39008 17.50209 
1 1 1  -10    7   36 o  276.432   4.8175  518.002   18.044  526.782   25.765  509.551   25.279  278.730   6.8211  274.134   6.8048 4.596130 9.635019 
1 1 1  -10    7   37 o  309.848   5.0082  651.047   21.028  649.888   29.804  652.195   29.674  309.573   7.1044  310.123   7.0609 -0.5504761 10.01641 
1 1 1  -10    7   38 o  1026.07   16.549  7200.03  230.073  7054.80  321.861  7351.77  329.002  1015.50   23.389  1036.64   23.420 -21.14014 33.09870 
1 1 1  -10    7   39 o  136.201   5.6684  124.619   10.255  119.961   13.140  131.876   16.401  132.992   7.2908  139.410   8.6814 -6.418640 11.33682 
1 1 1  -10    7   40 o  629.009   7.6874  2684.95   65.497  2605.77   90.983  2770.12   94.363  619.396   10.840  638.622   10.904 -19.22534 15.37486 
1 1 1  -10    7   41 o  321.539   5.1235  700.664   22.311  668.987   31.058  734.445   32.073  314.033   7.2982  329.044   7.1928 -15.01080 10.24694 
1 1 1  -10    7   42 o  577.547   7.2028  2265.21   56.366  2298.97   80.490  2232.72   78.959  581.766   10.210  573.328   10.163 8.437988 14.40559 
1 1 1  -10    7   43 o  297.253   7.0776  599.474   28.510  599.474   28.510   0.0000   0.0000  297.253   7.0776  ?   ?       ?      ? 
1 1 1  -10    7   44 o  155.790   9.4412  164.861   19.932  164.861   19.932   0.0000   0.0000  155.790   9.4412  ?   ?       ?      ? 
1 1 1  -10    7   45 o  547.291   8.4853  2025.65   59.255  2075.91  103.471  2001.12   72.282  551.922   13.834  542.660   9.8292 9.261719 16.97057 
1 1 1  -10    7   46 o  229.459   9.2689  357.744   28.821  357.744   28.821   0.0000   0.0000  229.459   9.2689  ?   ?       ?      ? 
1 1 1  -10    7   47 o  612.981   9.2048  2506.94   71.162  2707.93  128.602  2418.24   85.434  629.706   15.070  596.256   10.573 33.45032 18.40965 
1 1 1  -10    7   48 o  125.804   4.9258  107.145   8.3841  112.379   12.292  102.592   11.465  128.667   7.0496  122.942   6.8818 5.724731 9.851653 
1 1 1  -10    7   49 o  245.530   4.7337  408.956   15.745  419.422   22.603  399.089   21.946  248.579   6.7099  242.481   6.6788 6.098358 9.467304 
1 1 1  -10    7   50 o  250.062   4.7847  424.431   16.212  428.863   23.139  420.158   22.721  251.342   6.7937  248.782   6.7395 2.559937 9.569448 
1 1 1  -10    7   51 o  394.686   5.6613  1058.42   30.278  1064.22   43.101  1052.77   42.543  395.750   8.0368  393.622   7.9756 2.127258 11.32254 
1 1 1  -10    7   52 o  138.262   4.8608  129.087   9.0733  145.879   13.353  114.683   12.367  146.576   6.7226  129.949   7.0227 16.62651 9.721683 
1 1 1  -10    7   53 o  418.942   5.8642  1192.30   33.279  1230.91   47.868  1156.19   46.298  425.499   8.3016  412.384   8.2847 13.11496 11.72830 
1 1 1  -10    7   54 o  313.263   6.3595  679.847   25.449  630.218   43.182  706.259   31.501  304.109   10.478  322.417   7.2098 -18.30774 12.71909 
1 1 1  -10    7   55 o  277.047   4.9819  520.559   18.683  540.977   27.214  502.355   25.696  282.169   7.1171  271.925   6.9731 10.24380 9.963769 
1 1 1  -10    7   56 o  580.646   7.2994  2297.85   57.427  2336.28   82.111  2261.06   80.346  585.387   10.351  575.905   10.295 9.481934 14.59889 
1 1 1  -10    7   57 o  518.277   6.7410  1829.55   47.337  1860.99   67.687  1799.45   66.225  522.627   9.5573  513.927   9.5091 8.699829 13.48202 
1 1 1  -10    7   58 o  187.443   4.7578  238.826   12.081  232.677   17.136  244.903   17.034  185.035   6.8342  189.851   6.6211 -4.816391 9.515535 
1 1 1  -10    7   59 o  324.714   6.3369  714.833   26.458  707.486   32.549  729.144   45.429  322.535   7.4469  326.892   10.255 -4.357300 12.67377 
1 1 1  -10    7   60 o  148.514   7.0859  149.974   14.261  149.974   14.261   0.0000   0.0000  148.514   7.0859  ?   ?       ?      ? 
1 1 1  -10    7   61 o  236.757   4.8449  380.640   15.534  398.531   22.406  364.082   21.556  242.109   6.8293  231.404   6.8742 10.70561 9.689878 
1 1 1  -10    7   62 o  205.186   4.7633  286.269   13.244  283.974   18.758  288.550   18.702  204.362   6.7735  206.010   6.6990 -1.648041 9.526589 
1 1 1  -10    7   63 o  170.838   4.8652  198.540   11.261  194.903   15.977  202.131   15.875  169.275   6.9649  172.401   6.7950 -3.126251 9.730427 
1 1 1  -10    7   64 o  181.517   4.9157  224.149   12.090  224.054   17.223  224.242   16.976  181.474   7.0035  181.561   6.8998 -0.8686829E-01 9.831444 
1 1 1  -10    7   65 o  176.834   5.9811  207.641   13.429  228.998   24.066  197.984   16.183  183.092   9.6996  170.575   7.0010 12.51721 11.96226 
1 1 1  -10    7   66 o   53.611   10.291   15.730   7.7810   35.466   14.113   7.1109   9.3267   70.302   15.252   36.920   13.821 33.38223 20.58251 
1 1 1  -10    7   67 o  281.794   5.0781  540.457   19.387  556.828   27.756  524.864   27.089  285.962   7.1626  277.626   7.2004 8.336182 10.15618 
1 1 1  -10    7   68 o  194.750   4.9099  258.466   12.945  246.190   18.350  270.629   18.265  190.118   7.1224  199.383   6.7602 -9.264603 9.819845 
1 1 1  -10    7   69 o  118.284   6.6957   94.207   10.080  100.224   17.834   91.382   12.219  120.826   10.892  115.742   7.7907 5.083565 13.39145 
1 1 1  -10    7   70 o  158.270   5.0619  170.693   10.853  174.085   15.594  167.506   15.114  159.788   7.2016  156.751   7.1153 3.037140 10.12379 
1 1 1  -10    7   71 o  129.445   5.3313  114.406   9.3463  113.956   13.437  114.828   13.009  129.181   7.6757  129.710   7.4008 -0.5289307 10.66252 
1 1 1  -10    7   72 o  193.696   4.8845  255.988   12.820  256.205   18.253  255.777   18.010  193.768   6.9514  193.623   6.8638 0.1450348 9.769066 
1 1 1  -10    7   73 o   81.385   6.6671   45.470   7.3483   47.601   10.603   43.500   10.193   83.222   9.4022   79.549   9.4553 3.672150 13.33427 
1 1 1  -10    7   74 o  120.216   7.4275  105.977   10.825  115.623   13.091   85.116   19.251  129.986   7.4318  110.447   12.862 19.53923 14.85493 
1 1 1  -10    7   75 o  120.623   5.5825   99.621   9.1020   90.116   12.598  110.002   13.165  114.573   8.1139  126.673   7.6695 -12.09953 11.16495 
1 1 1  -10    7   76 o  297.108   6.2593  603.422   23.954  592.287   29.483  625.048   41.086  293.874   7.4033  300.343   10.095 -6.468964 12.51854 
1 1 1  -10    7   77 o  145.815   5.0734  145.924   10.023  142.910   14.198  148.918   14.152  144.292   7.2610  147.339   7.0877 -3.046860 10.14676 
1 1 1  -10    7   78 o   44.487   9.4956   14.271   6.2080   14.846   8.7018   13.675   8.8591   45.241   13.306   43.734   13.550 1.506615 18.99123 
1 1 1  -10    7   79 o  126.307   5.2518  109.934   8.9859  113.650   12.744  106.260   12.672  128.460   7.3208  124.154   7.5320 4.305405 10.50357 
1 1 1  -10    7   80 o  112.533   5.5444   87.662   8.4134   76.815   11.750   99.075   12.053  105.265   8.2368  119.801   7.4241 -14.53695 11.08882 
1 1 1  -10    7   81 f   96.818   7.7579   70.462   9.2567   54.926   15.751   78.659   11.441   87.150   13.337  106.486   7.9284 -19.33626 15.51585 
1 1 1  -10    7   82 o   51.181   10.161   20.719   7.4353   14.191   12.564   24.237   9.2239   45.294   16.184   57.069   12.290 -11.77440 20.32133 
1 1 1  -10    7   83 o   40.116   9.1559   10.623   6.9508  -5.3736   11.540   19.732   8.7075   29.077   13.254   51.154   12.635 -22.07698 18.31186 
1 1 1  -10    7   84 o  124.765   6.3177  103.619   10.157  130.133   18.015   91.264   12.297  135.295   9.8258  114.234   7.9439 21.06084 12.63532 
1 1 1  -10    7   85 o   54.394   10.238   21.680   7.2715   28.221   13.012   18.709   8.7685   59.404   15.864   49.384   12.945 10.02027 20.47548 
1 1 1  -10    7   86 o   51.026   11.744   20.097   9.2512   16.101   12.042   25.852   14.452   45.988   15.890   56.064   17.296 -10.07555 23.48737 
1 1 1  -10    7   87 o  105.644   8.4750   82.451   12.013   81.373   15.895   83.887   18.343  105.463   11.122  105.826   12.791 -0.3630447 16.95008 
1 1 1  -10    7   88 o   77.232   10.408   47.352   10.461   49.455   13.712   44.423   16.180   81.225   12.457   73.239   16.676 7.985840 20.81547 
1 1 1  -10    7   89 o   51.970   15.777   22.264   12.087   22.264   12.087   0.0000   0.0000   51.970   15.777  ?   ?       ?      ? 
1 1 1  -10    7   90 o   55.314   15.731   25.527   12.352   25.527   12.352   0.0000   0.0000   55.314   15.731  ?   ?       ?      ? 
1 1 1  -10    7   91 o   74.700   14.037   44.610   13.688   44.610   13.688   0.0000   0.0000   74.700   14.037  ?   ?       ?      ? 
1 1 1  -10    7   92 o   32.557   13.970   2.9667   11.053   2.9667   11.053   0.0000   0.0000   32.557   13.970  ?   ?       ?      ? 
1 1 1  -10    7   93 o   46.381   15.915   18.181   12.069   18.181   12.069   0.0000   0.0000   46.381   15.915  ?   ?       ?      ? 
1 1 1  -10    8    1 o  358.427   5.1908  870.357   25.200  909.178   36.082  833.384   35.212  366.227   7.2703  350.626   7.4108 15.60046 10.38156 
1 1 1  -10    8    2 o  529.544   6.6525  1901.27   47.735  1888.29   67.021  1914.65   68.006  527.710   9.3720  531.378   9.4441 -3.667542 13.30506 
1 1 1  -10    8    3 o  394.070   5.4710  1052.60   29.213  1043.96   40.937  1061.56   41.700  392.424   7.6980  395.717   7.7762 -3.292908 10.94204 
1 1 1  -10    8    4 o  197.586   5.5390  263.999   13.413  263.112   15.868  266.217   25.103  197.029   5.9431  198.144   9.3489 -1.115509 11.07798 
1 1 1  -10    8    5 o  754.652   17.826  3869.14  182.294   0.0000   0.0000  3869.14  182.294  ?   ?   754.652   17.826      ?      ? 
1 1 1  -10    8    6 o  192.252   5.9492  250.510   15.499  250.510   15.499   0.0000   0.0000  192.252   5.9492  ?   ?       ?      ? 
1 1 1  -10    8    7 o  388.978   5.4622  1023.04   28.755  968.166   39.500  1084.91   41.941  377.910   7.7131  400.046   7.7365 -22.13519 10.92448 
1 1 1  -10    8    8 o  522.666   6.5944  1851.64   46.698  1897.52   66.776  1807.72   65.330  529.001   9.3150  516.332   9.3368 12.66956 13.18882 
1 1 1  -10    8    9 o  327.488   5.6013  718.657   21.873  709.577   25.391  744.781   43.069  323.565   5.7907  331.412   9.5898 -7.846649 11.20253 
1 1 1  -10    8   10 o  456.641   6.8489  1409.21   37.031  1404.18   42.919  1423.86   73.252  455.141   6.9585  458.141   11.799 -3.000427 13.69788 
1 1 1  -10    8   11 o  973.060   12.722  6400.07  145.049  6367.35  167.168  6499.75  291.777  968.726   12.734  977.393   22.029 -8.667480 25.44496 
1 1 1  -10    8   12 o  477.161   7.0592  1535.56   39.835  1526.78   46.115  1561.39   79.066  474.586   7.1705  479.735   12.162 -5.149017 14.11837 
1 1 1  -10    8   13 o  430.006   6.6139  1268.85   33.999  1286.24   39.787  1221.79   65.459  435.612   6.7400  424.401   11.382 11.21027 13.22779 
1 1 1  -10    8   14 o  464.648   7.3961  1482.84   44.482  1530.19   55.734  1399.75   73.829  475.066   8.6573  454.230   11.994 20.83649 14.79218 
1 1 1  -10    8   15 o  498.411   7.3126  1702.15   43.476  1721.88   50.788  1648.04   84.107  503.986   7.4364  492.836   12.593 11.15021 14.62513 
1 1 1  -10    8   16 o  389.456   6.1606  1009.08   28.422  989.332   32.824  1068.25   56.819  382.047   6.3400  396.865   10.565 -14.81839 12.32126 
1 1 1  -10    8   17 o  588.513   8.3384  2410.04   59.003  2485.36   69.607  2217.79  111.208  605.446   8.4839  571.579   14.358 33.86798 16.67678 
1 1 1  -10    8   18 o  694.465   10.061  3248.82   89.301  3199.62  109.025  3349.13  155.665  686.746   11.715  702.184   16.359 -15.43811 20.12122 
1 1 1  -10    8   19 o  357.652   7.4323  867.164   36.022  867.164   36.022   0.0000   0.0000  357.652   7.4323  ?   ?       ?      ? 
1 1 1  -10    8   20 o  632.893   7.6460  2716.15   65.565  2661.28   91.702  2773.53   93.779  626.357   10.804  639.429   10.823 -13.07184 15.29210 
1 1 1  -10    8   21 o  585.424   7.1939  2324.26   57.067  2350.54   81.312  2298.76   80.110  588.683   10.193  582.165   10.154 6.518127 14.38770 
1 1 1  -10    8   22 o  306.826   4.8777  638.103   20.276  617.775   28.499  658.937   28.852  301.877   6.9667  311.775   6.8289 -9.898010 9.755429 
1 1 1  -10    8   23 o  342.601   5.1323  795.775   23.827  789.920   33.749  801.594   33.644  341.344   7.2960  343.859   7.2202 -2.515015 10.26460 
1 1 1  -10    8   24 o  477.616   7.7220  1556.87   47.082  1575.53   57.797  1520.07   81.173  482.002   8.8486  473.229   12.658 8.772766 15.44400 
1 1 1  -10    8   25 o  405.337   7.0016  1115.20   36.079  1116.55   43.989  1112.42   63.061  405.792   7.9994  404.882   11.493 0.9103699 14.00327 
1 1 1  -10    8   26 o  363.084   5.3111  893.226   26.123  917.769   37.558  870.227   36.357  367.911   7.5332  358.257   7.4888 9.654663 10.62220 
1 1 1  -10    8   27 o  316.373   4.9969  678.358   21.419  691.506   30.670  665.842   29.924  319.364   7.0868  313.383   7.0464 5.981201 9.993757 
1 1 1  -10    8   28 o  528.058   6.7108  1891.16   48.017  1858.04   67.339  1925.43   68.488  523.354   9.4948  532.763   9.4863 -9.408020 13.42162 
1 1 1  -10    8   29 f  849.147   9.8146  4898.15  112.935  4867.51  159.117  4929.26  160.320  846.473   13.871  851.822   13.889 -5.349304 19.62921 
1 1 1  -10    8   30 o  334.592   7.3287  759.117   33.230  759.117   33.230   0.0000   0.0000  334.592   7.3287  ?   ?       ?      ? 
1 1 1  -10    8   31 o  502.042   6.4852  1706.85   44.082  1627.92   60.891  1793.79   63.902  489.867   9.1725  514.217   9.1704 -24.35056 12.97038 
1 1 1  -10    8   32 o  309.328   10.222  649.354   42.847  649.354   42.847   0.0000   0.0000  309.328   10.222  ?   ?       ?      ? 
1 1 1  -10    8   33 o  486.978   9.1122  1611.07   60.131  1605.96   84.601  1616.29   85.481  486.203   12.840  487.754   12.933 -1.550995 18.22438 
1 1 1  -10    8   34 o  393.616   6.9632  1052.80   34.852  1055.26   42.516  1047.78   60.848  394.428   7.9543  392.804   11.431 1.624695 13.92636 
1 1 1  -10    8   35 o  141.612   5.6327  139.197   10.455  150.815   13.535  122.015   16.460  149.131   6.6975  134.093   9.0583 15.03812 11.26538 
1 1 1  -10    8   36 o  132.605   6.7501  116.435   11.947  136.496   19.020  103.365   15.353  141.798   9.8985  123.411   9.1801 18.38641 13.50018 
1 1 1  -10    8   37 o  511.037   6.6093  1772.61   45.769  1790.74   65.090  1754.88   64.371  513.622   9.3516  508.453   9.3424 5.168213 13.21867 
1 1 1  -10    8   38 o  421.563   5.8407  1205.98   33.366  1195.73   47.121  1216.29   47.252  419.765   8.2836  423.361   8.2362 -3.596405 11.68134 
1 1 1  -10    8   39 f  258.701   5.6889  454.251   19.174  454.444   24.016  453.913   31.840  258.832   6.8471  258.570   9.0869 0.2622070 11.37784 
1 1 1  -10    8   40 o  173.323   6.2236  202.523   14.565  222.356   21.732  186.350   19.625  180.970   8.8617  165.676   8.7409 15.29404 12.44725 
1 1 1  -10    8   41 o  446.869   6.0633  1355.77   36.716  1360.68   52.186  1350.95   51.666  447.668   8.6024  446.070   8.5472 1.597443 12.12660 
1 1 1  -10    8   42 o  454.245   7.5764  1406.71   43.832  1414.22   53.599  1391.54   76.157  456.349   8.6672  452.142   12.429 4.207733 15.15290 
1 1 1  -10    8   43 o   67.466   6.9763   30.896   6.3620   31.484   9.3741   30.394   8.6624   68.054   10.165   66.878   9.5581 1.175896 13.95265 
1 1 1  -10    8   44 o  262.990   5.7765  460.600   19.392  496.520   34.234  443.628   23.532  270.301   9.3459  255.678   6.7917 14.62350 11.55302 
1 1 1  -10    8   45 o  417.289   7.0598  1155.31   37.242  1263.52   67.200  1107.35   44.741  430.800   11.511  403.777   8.1767 27.02341 14.11952 
1 1 1  -10    8   46 o  243.773   4.7314  403.348   15.624  403.006   22.404  403.671   21.799  243.667   6.7849  243.880   6.5961 -0.2127075 9.462746 
1 1 1  -10    8   47 o  235.535   4.7196  376.701   15.057  363.678   21.308  389.689   21.279  231.460   6.7934  239.610   6.5534 -8.149734 9.439137 
1 1 1  -10    8   48 o  235.432   4.7315  375.988   15.089  387.296   21.716  365.431   20.982  238.851   6.7092  232.013   6.6735 6.837952 9.462997 
1 1 1  -10    8   49 o  425.058   5.9174  1226.93   34.068  1266.69   49.111  1190.04   47.300  431.687   8.3951  418.430   8.3417 13.25635 11.83479 
1 1 1  -10    8   50 o  481.099   6.3850  1574.38   41.627  1562.11   58.820  1586.69   58.919  479.216   9.0575  482.983   9.0020 -3.767212 12.77009 
1 1 1  -10    8   51 o  471.260   6.3107  1509.61   40.285  1555.71   57.971  1466.56   56.021  478.208   8.9457  464.312   8.9035 13.89566 12.62132 
1 1 1  -10    8   52 o  526.116   8.4114  1920.26   56.927  1787.86   95.297  1993.71   70.984  511.126   13.758  541.105   9.6805 -29.97873 16.82276 
1 1 1  -10    8   53 o  230.549   5.9989  370.275   17.505  336.408   30.069  387.638   21.530  222.206   9.9859  238.893   6.6506 -16.68672 11.99782 
1 1 1  -10    8   54 o  375.026   5.5644  956.317   28.276  963.115   40.298  949.724   39.687  376.333   7.9018  373.719   7.8365 2.614258 11.12877 
1 1 1  -10    8   55 o  420.105   5.9178  1200.97   33.689  1198.65   47.787  1203.26   47.502  419.694   8.4022  420.515   8.3358 -0.8204041 11.83563 
1 1 1  -10    8   56 o  370.034   5.5392  931.125   27.772  948.482   39.706  914.502   38.857  373.406   7.8469  366.661   7.8203 6.744873 11.07837 
1 1 1  -10    8   57 o  128.567   6.0515  114.193   10.198  119.650   13.058  105.657   16.331  132.651   7.2639  124.483   9.6809 8.168602 12.10303 
1 1 1  -10    8   58 o  402.134   8.2063  1100.89   44.720  1100.89   44.720   0.0000   0.0000  402.134   8.2063  ?   ?       ?      ? 
1 1 1  -10    8   59 o  219.208   6.8435  326.703   20.329  326.703   20.329   0.0000   0.0000  219.208   6.8435  ?   ?       ?      ? 
1 1 1  -10    8   60 o  262.665   4.9626  469.236   17.664  468.789   25.046  469.679   24.916  262.537   7.0398  262.793   6.9964 -0.2554626 9.925173 
1 1 1  -10    8   61 o  215.355   4.8616  315.519   14.173  297.602   19.955  333.760   20.134  209.163   7.0403  221.546   6.7064 -12.38290 9.723196 
1 1 1  -10    8   62 o  115.110   5.7161   90.783   8.8633   81.388   12.739   99.598   12.340  109.263   8.6034  120.957   7.5284 -11.69379 11.43218 
1 1 1  -10    8   63 o  131.448   5.2028  117.787   9.2540  113.294   13.279  122.029   12.903  128.988   7.5970  133.909   7.1106 -4.921387 10.40550 
1 1 1  -10    8   64 o  135.472   6.2597  120.939   10.749  137.324   19.440  113.723   12.900  141.708   10.123  129.236   7.3660 12.47168 12.51934 
1 1 1  -10    8   65 f  179.908   6.1039  224.904   13.862  209.455   24.092  232.550   16.949  174.960   10.161  184.857   6.7660 -9.896301 12.20771 
1 1 1  -10    8   66 o  108.528   5.6829   80.297   8.3505   81.095   12.091   79.569   11.547  109.030   8.1831  108.025   7.8878 1.004784 11.36575 
1 1 1  -10    8   67 o  143.661   6.3847  142.838   11.533  136.272   20.322  145.957   14.007  140.949   10.639  146.372   7.0615 -5.423340 12.76942 
1 1 1  -10    8   68 f  145.038   10.439  144.367   20.518  144.367   20.518   0.0000   0.0000  145.038   10.439  ?   ?       ?      ? 
1 1 1  -10    8   69 o  145.228   5.2341  142.869   10.216  171.047   15.105  119.108   13.870  158.380   7.0376  132.075   7.7495 26.30489 10.46815 
1 1 1  -10    8   70 o  129.928   5.3803  115.669   9.4363  104.609   13.401  126.545   13.289  123.694   7.9948  136.162   7.2022 -12.46739 10.76053 
1 1 1  -10    8   71 o  190.668   4.9314  248.167   12.740  250.243   18.183  246.165   17.856  191.444   7.0089  189.892   6.9391 1.552322 9.862805 
1 1 1  -10    8   72 o  109.762   7.5104   85.508   10.184   89.199   12.285   77.399   18.210  114.116   7.9443  105.408   12.748 8.707718 15.02080 
1 1 1  -10    8   73 o  106.230   8.1240   84.750   10.258   94.130   12.351   63.894   18.417  117.189   7.7776   95.271   14.266 21.91891 16.24795 
1 1 1  -10    8   74 o  194.074   4.9520  257.849   13.023  259.253   18.496  256.468   18.340  194.595   7.0141  193.553   6.9923 1.041992 9.904069 
1 1 1  -10    8   75 o  107.290   6.7297   81.526   9.3887   87.422   11.996   72.203   15.084  112.774   7.8493  101.807   10.934 10.96729 13.45940 
1 1 1  -10    8   76 f   58.360   8.5667   24.808   6.5569   21.508   9.2211   28.183   9.3255   54.170   12.770   62.550   11.423 -8.379784 17.13336 
1 1 1  -10    8   77 o   98.764   5.8490   67.388   7.7972   75.554   11.201   59.712   10.860  104.652   7.8984   92.876   8.6289 11.77613 11.69803 
1 1 1  -10    8   78 o   47.889   7.7371   14.925   6.1668  -0.9573   8.5239   32.367   8.9328   27.684   12.072   68.094   9.6805 -40.41013 15.47427 
1 1 1  -10    8   79 o   42.252   9.4365   12.811   6.0586   14.160   8.6772   11.527   8.4630   44.014   13.370   40.490   13.321 3.523525 18.87299 
1 1 1  -10    8   80 o   74.399   9.8306   38.939   9.9113   0.0000   0.0000   38.939   9.9113  ?   ?    74.399   9.8306      ?      ? 
1 1 1  -10    8   81 o  108.229   7.2957   84.456   9.7327   79.374   17.579   86.702   11.687  104.783   12.380  111.674   7.7229 -6.891289 14.59146 
1 1 1  -10    8   82 o   46.733   10.499   15.898   7.1397   18.401   12.502   14.687   8.6975   49.205   16.190   44.261   13.372 4.943623 20.99858 
1 1 1  -10    8   83 o   62.820   9.4694   30.563   7.6317   26.893   12.818   32.578   9.4990   58.198   15.832   67.443   10.393 -9.245010 18.93870 
1 1 1  -10    8   84 o   54.205   10.014   22.323   7.1873   25.528   12.156   20.600   8.9118   56.595   15.427   51.815   12.773 4.780018 20.02884 
1 1 1  -10    8   85 o   69.891   11.612   38.297   10.525   33.537   13.196   46.618   17.449   64.761   15.282   75.021   17.486 -10.26032 23.22311 
1 1 1  -10    8   86 o   76.613   10.577   43.363   10.585   30.512   13.378   64.871   17.308   61.032   15.985   92.193   13.854 -31.16037 21.15316 
1 1 1  -10    8   87 o   78.680   10.385   46.936   10.689   36.343   13.778   62.950   16.941   66.802   15.517   90.558   13.805 -23.75640 20.76915 
1 1 1  -10    8   88 o   75.708   10.989   46.763   10.739   47.074   13.974   46.315   16.784   77.350   13.840   74.065   17.073 3.284828 21.97757 
1 1 1  -10    8   89 o   30.617   13.502  -0.0203   10.932  -0.0203   10.932   0.0000   0.0000   30.617   13.502  ?   ?       ?      ? 
1 1 1  -10    8   90 o   60.897   15.517   31.065   12.842   31.065   12.842   0.0000   0.0000   60.897   15.517  ?   ?       ?      ? 
1 1 1  -10    8   91 o   33.930   14.295   4.6784   11.215   4.6784   11.215   0.0000   0.0000   33.930   14.295  ?   ?       ?      ? 
1 1 1  -10    8   92 o   50.154   16.355   22.004   12.768   22.004   12.768   0.0000   0.0000   50.154   16.355  ?   ?       ?      ? 
1 1 1  -10    9    1 o  304.467   6.0696  623.375   23.089  615.332   27.638  641.956   42.009  301.285   6.7694  307.648   10.076 -6.362610 12.13913 
1 1 1  -10    9    2 o  477.419   6.2006  1545.21   40.109  1526.89   56.112  1564.35   57.355  474.527   8.7259  480.310   8.8119 -5.783173 12.40124 
1 1 1  -10    9    3 o  313.455   6.9707  666.061   29.610   0.0000   0.0000  666.061   29.610  ?   ?   313.455   6.9707      ?      ? 
1 1 1  -10    9    4 o  543.849   6.8032  2005.92   50.138  2009.25   70.757  2002.55   71.057  544.305   9.5928  543.394   9.6496 0.9113159 13.60644 
1 1 1  -10    9    5 o  442.244   5.9125  1324.56   35.412  1280.64   49.051  1372.37   51.177  434.597   8.3287  449.891   8.3943 -15.29330 11.82508 
1 1 1  -10    9    6 o  573.771   7.1053  2232.69   55.243  2215.02   77.625  2250.82   78.637  571.473   10.024  576.069   10.073 -4.596497 14.21062 
1 1 1  -10    9    7 o  298.552   4.8303  603.782   19.535  587.460   27.182  621.219   28.094  294.383   6.8137  302.722   6.8484 -8.339417 9.660639 
1 1 1  -10    9    8 o  477.544   6.2213  1546.10   40.256  1577.20   57.336  1515.86   56.533  482.281   8.7729  472.808   8.8234 9.473114 12.44252 
1 1 1  -10    9    9 o  290.841   6.8750  573.416   27.096   0.0000   0.0000  573.416   27.096  ?   ?   290.841   6.8750      ?      ? 
1 1 1  -10    9   10 o  255.495   5.0987  439.159   15.700  435.216   18.354  449.915   30.314  253.404   5.3448  257.586   8.6844 -4.182236 10.19730 
1 1 1  -10    9   11 o  135.141   5.0145  123.724   8.9180  123.455   11.326  124.161   14.466  134.956   6.1932  135.325   7.8883 -0.3686218 10.02903 
1 1 1  -10    9   12 o  124.016   4.5988   98.346   7.2403   88.628   8.6463  121.154   13.246  114.351   5.5797  133.682   7.3118 -19.33105 9.197563 
1 1 1  -10    9   13 o  204.831   4.8171  281.756   12.065  278.317   14.220  290.589   22.792  202.643   5.1784  207.020   8.1242 -4.376877 9.634247 
1 1 1  -10    9   14 o  715.641   9.7569  3516.11   83.079  3559.70   96.942  3395.56  161.217  724.442   9.8748  706.840   16.831 17.60175 19.51385 
1 1 1  -10    9   15 o  493.539   7.7714  1659.68   49.629  1676.81   61.794  1628.55   83.300  497.241   9.1706  489.837   12.549 7.403870 15.54278 
1 1 1  -10    9   16 o  847.885   11.316  4979.27  114.709  5090.63  134.568  4683.27  219.387  866.148   11.465  829.622   19.514 36.52631 22.63275 
1 1 1  -10    9   17 o  580.266   8.2036  2265.04   56.077  2245.02   64.740  2325.20  112.212  575.391   8.3029  585.140   14.151 -9.749084 16.40727 
1 1 1  -10    9   18 o  320.132   5.7713  720.689   22.386  755.981   26.666  636.444   41.199  333.958   5.8922  306.306   9.9254 27.65219 11.54263 
1 1 1  -10    9   19 o  612.949   9.1098  2506.25   71.082  2425.33   86.108  2679.34  125.944  597.883   10.628  628.015   14.799 -30.13116 18.21955 
1 1 1  -10    9   20 o  233.141   5.1214  372.349   14.622  377.600   17.366  359.561   27.101  236.027   5.4295  230.255   8.6853 5.771652 10.24276 
1 1 1  -10    9   21 o  355.611   5.9401  845.125   25.211  831.638   29.260  884.002   49.677  350.257   6.1645  360.966   10.156 -10.70963 11.88017 
1 1 1  -10    9   22 o  248.989   5.8098  421.353   18.281  422.994   22.184  417.878   32.271  249.786   6.5537  248.191   9.5950 1.594894 11.61958 
1 1 1  -10    9   23 o  451.266   8.5014  1381.15   51.988   0.0000   0.0000  1381.15   51.988  ?   ?   451.266   8.5014      ?      ? 
1 1 1  -10    9   24 o  610.482   7.4651  2529.05   61.757  2516.23   87.120  2541.99   87.557  608.928   10.558  612.037   10.557 -3.108887 14.93020 
1 1 1  -10    9   25 o  307.735   4.9426  641.932   20.607  621.825   28.906  662.710   29.384  302.835   7.0437  312.636   6.9358 -9.800720 9.885241 
1 1 1  -10    9   27 o  646.938   7.8149  2840.96   68.511  2817.34   96.524  2864.93   97.259  644.228   11.056  649.648   11.048 -5.419312 15.62989 
1 1 1  -10    9   28 o  493.964   6.4013  1655.17   42.846  1628.08   60.193  1683.00   61.003  489.866   9.0675  498.062   9.0382 -8.195892 12.80268 
1 1 1  -10    9   29 o  287.486   4.8530  560.470   18.902  545.215   26.668  575.872   26.796  283.552   6.9402  291.420   6.7852 -7.868042 9.705930 
1 1 1  -10    9   30 o  438.129   5.9612  1301.07   35.377  1348.73   50.926  1256.62   49.181  445.876   8.4283  430.381   8.4326 15.49518 11.92243 
1 1 1  -10    9   31 o  501.946   7.9009  1731.66   51.359  1784.33   64.367  1639.36   85.202  512.760   9.2633  491.131   12.802 21.62878 15.80171 
1 1 1  -10    9   32 o  171.169   5.4913  203.592   12.317  221.599   15.970  177.151   19.352  180.769   6.5192  161.570   8.8384 19.19981 10.98260 
1 1 1  -10    9   33 o  339.623   6.5101  783.544   28.085  781.158   49.153  784.700   34.222  339.133   10.696  340.113   7.4250 -0.9797668 13.02015 
1 1 1  -10    9   34 o  238.287   6.6147  386.980   21.245  368.503   31.260  402.840   28.962  232.952   9.9025  243.622   8.7727 -10.66913 13.22946 
1 1 1  -10    9   35 o  365.600   7.5332  907.886   37.308  915.896   53.601  900.359   51.961  367.152   10.773  364.047   10.533 3.105347 15.06642 
1 1 1  -10    9   36 o  592.942   8.9689  2371.95   67.598  2449.53  119.148  2335.12   82.088  599.625   14.663  586.258   10.333 13.36603 17.93785 
1 1 1  -10    9   37 o  328.687   5.1946  733.230   23.132  723.667   32.915  742.564   32.517  326.563   7.4377  330.812   7.2536 -4.248505 10.38911 
1 1 1  -10    9   38 o  350.503   6.5925  837.270   29.343  826.519   51.252  842.512   35.789  348.669   10.847  352.338   7.4956 -3.669342 13.18497 
1 1 1  -10    9   39 o  114.683   7.8609   89.323   12.172  100.372   17.585   79.161   16.864  121.498   10.680  107.868   11.537 13.63010 15.72171 
1 1 1  -10    9   40 o  557.137   8.7029  2128.30   62.067  2159.54   76.474  2068.01  106.242  563.632   10.012  550.642   14.238 12.99005 17.40583 
1 1 1  -10    9   41 o  443.167   7.3522  1329.52   41.555  1353.95   72.525  1317.58   50.702  445.909   12.002  440.424   8.4952 5.484650 14.70449 
1 1 1  -10    9   42 o  323.754   6.2775  713.422   25.935  708.754   44.940  715.754   31.757  322.800   10.273  324.707   7.2171 -1.906708 12.55500 
1 1 1  -10    9   43 o  287.263   4.9459  559.998   19.244  565.954   27.707  554.448   26.749  288.731   7.0813  285.795   6.9067 2.936798 9.891758 
1 1 1  -10    9   44 o  289.332   4.9559  567.875   19.422  583.168   28.009  553.710   26.955  293.077   7.0522  285.586   6.9650 7.491058 9.911885 
1 1 1  -10    9   45 o  338.278   5.2658  776.259   24.124  804.432   34.879  750.423   33.401  344.151   7.4788  332.404   7.4149 11.74704 10.53152 
1 1 1  -10    9   46 o  281.222   4.9314  537.149   18.787  521.200   26.569  553.098   26.569  277.037   7.0770  285.407   6.8695 -8.370239 9.862793 
1 1 1  -10    9   47 o  432.138   8.4689  1269.60   49.594  1269.60   49.594   0.0000   0.0000  432.138   8.4689  ?   ?       ?      ? 
1 1 1  -10    9   48 o  237.847   4.7464  384.375   15.289  370.307   21.686  398.276   21.557  233.506   6.8534  242.187   6.5685 -8.680527 9.492816 
1 1 1  -10    9   49 o  106.878   5.4285   76.930   7.8266   86.410   11.733   69.329   10.506  112.756   7.6784  100.999   7.6758 11.75729 10.85706 
1 1 1  -10    9   50 o  482.557   7.8954  1582.00   48.344  1607.26   85.139  1569.98   58.730  484.821   12.959  480.293   9.0234 4.528625 15.79088 
1 1 1  -10    9   51 o   96.965   7.2567   64.167   8.5786   63.914   16.132   64.267   10.130   96.704   12.310   97.227   7.6883 -0.5225601 14.51345 
1 1 1  -10    9   52 o  232.409   4.7726  366.138   15.014  386.775   21.859  347.710   20.657  238.593   6.7608  226.225   6.7382 12.36763 9.545237 
1 1 1  -10    9   53 o  197.175   4.7306  264.108   12.634  265.895   18.179  262.438   17.571  197.812   6.7816  196.537   6.5972 1.275009 9.461164 
1 1 1  -10    9   54 o  209.993   4.7571  299.742   13.532  296.810   19.347  302.550   18.935  208.977   6.8317  211.008   6.6218 -2.030701 9.514223 
1 1 1  -10    9   55 o  157.991   4.9004  169.637   10.489  171.466   15.051  167.911   14.624  158.813   6.9936  157.168   6.8663 1.645416 9.800848 
1 1 1  -10    9   56 o  184.066   6.9260  230.347   17.276  230.347   17.276   0.0000   0.0000  184.066   6.9260  ?   ?       ?      ? 
1 1 1  -10    9   57 o  302.153   5.1774  621.017   21.198  615.124   29.832  627.027   30.128  300.706   7.3209  303.601   7.3230 -2.894989 10.35476 
1 1 1  -10    9   58 o  214.162   4.8318  312.243   14.003  294.625   19.865  329.645   19.743  208.126   7.0434  220.198   6.6162 -12.07173 9.663510 
1 1 1  -10    9   59 o  314.684   5.2394  673.888   22.337  675.763   31.958  672.097   31.234  315.097   7.4843  314.270   7.3341 0.8278503 10.47873 
1 1 1  -10    9   60 o  221.436   4.9093  333.184   14.718  342.164   21.380  325.096   20.291  224.256   7.0353  218.615   6.8491 5.641098 9.818608 
1 1 1  -10    9   61 o  143.506   5.1193  140.682   9.9185  131.540   14.335  149.079   13.738  138.983   7.6111  148.029   6.8485 -9.046478 10.23869 
1 1 1  -10    9   62 o  221.610   4.9428  335.018   14.807  312.046   21.128  357.188   20.757  214.086   7.2828  229.135   6.6847 -15.04910 9.885589 
1 1 1  -10    9   63 o  107.455   6.9662   77.286   9.4047   83.446   17.109   74.619   11.258  110.284   11.448  104.626   7.9404 5.658119 13.93243 
1 1 1  -10    9   64 o  103.330   5.8542   72.426   8.1682   77.857   12.200   68.012   10.997  106.808   8.4286   99.853   8.1270 6.955521 11.70850 
1 1 1  -10    9   65 o  129.730   6.5625  114.855   10.640  115.758   19.226  114.456   12.774  129.863   10.925  129.596   7.2737 0.2672272 13.12507 
1 1 1  -10    9   66 o   69.751   9.7770   38.060   8.2137   25.496   14.791   43.663   9.8766   59.619   17.295   79.884   9.1236 -20.26471 19.55390 
1 1 1  -10    9   67 o  130.557   5.3374  116.536   9.4151  113.388   13.745  119.319   12.923  128.851   7.8715  132.262   7.2104 -3.411209 10.67477 
1 1 1  -10    9   68 o  198.311   4.9353  268.486   13.253  259.298   18.862  277.445   18.626  194.926   7.1406  201.696   6.8147 -6.769455 9.870630 
1 1 1  -10    9   69 o  128.557   5.3923  113.075   9.3785  111.360   13.600  114.630   12.950  127.590   7.8658  129.524   7.3780 -1.933701 10.78451 
1 1 1  -10    9   70 o  140.242   5.2358  134.610   9.9244  122.484   13.935  147.090   14.137  133.778   7.6868  146.706   7.1111 -12.92825 10.47161 
1 1 1  -10    9   71 o  233.704   6.2681  370.574   18.451  362.280   22.200  389.102   33.180  230.136   7.1183  237.271   10.319 -7.135513 12.53617 
1 1 1  -10    9   72 o   81.385   6.8548   45.561   7.5426   48.774   11.135   42.837   10.253   84.011   9.7808   78.759   9.6067 5.251808 13.70953 
1 1 1  -10    9   73 o  219.153   4.9606  329.126   14.731  326.816   20.891  331.410   20.776  218.373   7.0597  219.934   6.9708 -1.560760 9.921226 
1 1 1  -10    9   74 o   94.015   7.0517   63.210   8.6661   70.666   11.337   52.729   13.441  101.247   8.2630   86.783   11.429 14.46398 14.10349 
1 1 1  -10    9   75 o   62.741   8.1585   28.095   6.7294   34.829   9.7979   22.081   9.2585   70.658   10.233   54.823   12.710 15.83479 16.31704 
1 1 1  -10    9   76 f  147.831   5.1294  151.238   10.151  123.205   14.208  180.471   14.509  133.563   7.8498  162.099   6.6049 -28.53601 10.25881 
1 1 1  -10    9   77 o   58.579   8.2885   24.960   6.3400   28.176   9.3398   22.212   8.6341   62.207   11.503   54.951   11.936 7.255711 16.57692 
1 1 1  -10    9   78 o  102.706   6.9923   72.938   9.0710   77.555   16.237   70.843   10.937  104.386   11.478  101.026   7.9889 3.360756 13.98454 
1 1 1  -10    9   80 o   64.662   10.405   29.754   9.1173   0.0000   0.0000   29.754   9.1173  ?   ?    64.662   10.405      ?      ? 
1 1 1  -10    9   81 o   35.764   9.8061   7.1900   6.7628   2.4205   11.856   9.4904   8.2337   34.235   14.573   37.293   13.125 -3.057716 19.61216 
1 1 1  -10    9   82 o   56.781   9.9072   22.675   7.3499   34.916   12.820   16.681   8.9706   66.940   14.548   46.623   13.453 20.31731 19.81443 
1 1 1  -10    9   83 o   98.837   8.9459   70.168   11.720   53.454   15.249   94.293   18.320   84.442   13.326  113.232   11.939 -28.78960 17.89184 
1 1 1  -10    9   84 o   41.100   11.046   10.974   8.8912   16.080   11.450   3.2209   14.111   45.636   15.503   36.564   15.739 9.072021 22.09212 
1 1 1  -10    9   85 o  114.781   8.4047   96.874   12.971   90.408   17.113  105.604   19.886  110.723   11.406  118.840   12.348 -8.117119 16.80948 
1 1 1  -10    9   86 o   61.614   11.638   29.055   9.9265   19.295   12.416   46.348   16.527   48.715   16.139   74.513   16.772 -25.79780 23.27592 
1 1 1  -10    9   87 o  113.122   8.4124   95.017   12.773   89.300   16.765  102.926   19.720  109.657   11.282  116.588   12.482 -6.930397 16.82481 
1 1 1  -10    9   88 o   88.960   12.457   60.218   15.017   60.218   15.017   0.0000   0.0000   88.960   12.457  ?   ?       ?      ? 
1 1 1  -10    9   89 o  135.096   10.595  135.320   19.396  135.320   19.396   0.0000   0.0000  135.096   10.595  ?   ?       ?      ? 
1 1 1  -10    9   90 o   71.270   14.488   41.731   13.515   41.731   13.515   0.0000   0.0000   71.270   14.488  ?   ?       ?      ? 
1 1 1  -10    9   91 o   48.159   16.164   20.207   12.446   20.207   12.446   0.0000   0.0000   48.159   16.164  ?   ?       ?      ? 
1 1 1  -10   10    1 o  161.191   4.3718  176.242   9.5396  178.706   13.247  173.588   13.749  162.364   6.0208  160.018   6.3403 2.346054 8.743579 
1 1 1  -10   10    2 o  333.326   5.0816  753.258   22.949  750.145   32.102  756.513   32.819  332.623   7.1219  334.028   7.2504 -1.404846 10.16315 
1 1 1  -10   10    3 o  235.570   4.5400  375.929   14.485  368.033   20.095  384.469   20.899  232.998   6.3645  238.142   6.4760 -5.143951 9.079931 
1 1 1  -10   10    4 o  502.674   6.4636  1711.55   43.999  1794.34   63.559  1635.38   60.968  514.330   9.1192  491.017   9.1627 23.31299 12.92730 
1 1 1  -10   10    5 o  199.254   4.4150  268.888   11.915  259.983   16.553  278.465   17.166  195.833   6.2374  202.675   6.2501 -6.841080 8.829989 
1 1 1  -10   10    6 o  500.014   6.4485  1694.63   43.677  1653.07   60.729  1739.16   62.862  493.671   9.0778  506.358   9.1612 -12.68634 12.89699 
1 1 1  -10   10    7 o  227.605   4.5231  351.277   13.947  356.132   19.592  346.288   19.859  229.201   6.3077  226.008   6.4842 3.193405 9.046129 
1 1 1  -10   10    8 o  324.731   5.0606  714.609   22.263  699.466   31.040  730.651   31.949  321.191   7.1314  328.271   7.1819 -7.080505 10.12112 
1 1 1  -10   10    9 o  160.650   4.4543  174.811   9.6929  169.616   13.472  180.388   13.957  158.177   6.2849  163.122   6.3137 -4.945175 8.908585 
1 1 1  -10   10   10 o  311.645   5.6639  671.879   21.241  688.253   25.022  629.651   40.183  318.641   5.7948  304.650   9.7334 13.99075 11.32777 
1 1 1  -10   10   11 o  201.133   5.4139  277.742   14.397  291.621   18.700  257.547   22.558  207.398   6.6537  194.868   8.5422 12.53023 10.82775 
1 1 1  -10   10   12 o  153.272   5.5381  163.304   11.206  184.794   14.945  135.706   16.936  165.096   6.6798  141.447   8.8354 23.64880 11.07630 
1 1 1  -10   10   13 o  448.746   6.8053  1334.55   35.817  1304.34   41.126  1429.44   72.884  438.609   6.9192  458.882   11.721 -20.27310 13.61053 
1 1 1  -10   10   14 o  739.535   10.023  3701.11   87.172  3686.19  100.678  3745.81  174.234  737.071   10.080  741.998   17.328 -4.927368 20.04634 
1 1 1  -10   10   15 f  209.665   5.4949  302.092   15.233  318.551   19.819  278.332   23.813  216.758   6.7473  202.572   8.6746 14.18655 10.98973 
1 1 1  -10   10   16 o  165.095   4.8087  180.525   9.8228  174.649   11.620  195.239   18.389  160.517   5.3418  169.673   7.9975 -9.156158 9.617380 
1 1 1  -10   10   17 o  154.124   4.8535  157.859   9.2783  153.338   11.004  168.974   17.255  150.404   5.3992  157.845   8.0670 -7.441788 9.707091 
1 1 1  -10   10   18 o  410.821   6.4478  1102.78   30.917  1064.44   35.319  1228.44   63.944  396.229   6.5778  425.413   11.092 -29.18420 12.89563 
1 1 1  -10   10   19 o  423.583   6.7561  1216.54   38.781  1216.54   38.781   0.0000   0.0000  423.583   6.7561  ?   ?       ?      ? 
1 1 1  -10   10   20 o  383.110   6.2233  977.391   28.222  958.765   32.584  1033.32   56.462  376.047   6.3942  390.173   10.679 -14.12610 12.44661 
1 1 1  -10   10   21 o  694.920   9.5484  3313.44   78.854  3348.75   91.914  3215.01  153.468  702.493   9.6551  687.347   16.476 15.14581 19.09687 
1 1 1  -10   10   22 o  408.357   6.4840  1131.25   31.592  1131.03   36.800  1131.87   61.602  408.416   6.6491  408.298   11.134 0.1183472 12.96798 
1 1 1  -10   10   23 o  253.251   5.2565  430.840   16.224  425.626   19.084  444.434   30.814  250.565   5.6204  255.937   8.8845 -5.372345 10.51299 
1 1 1  -10   10   24 o  266.245   5.6960  486.074   19.678  499.749   24.704  462.332   32.550  271.472   6.7152  261.019   9.2024 10.45288 11.39202 
1 1 1  -10   10   25 o  463.414   7.4307  1445.15   44.086  1419.36   53.882  1497.37   76.681  457.366   8.6936  469.462   12.053 -12.09616 14.86134 
1 1 1  -10   10   26 o  707.734   10.274  3401.95   93.047  3389.97  114.069  3425.78  160.854  706.350   11.917  709.119   16.739 -2.768127 20.54768 
1 1 1  -10   10   27 o  472.903   7.5883  1532.07   46.358  1563.99   57.776  1474.38   77.675  480.053   8.8812  465.752   12.307 14.30096 15.17669 
1 1 1  -10   10   28 o  217.277   4.6106  320.114   13.571  322.228   19.469  318.116   18.928  217.973   6.5910  216.582   6.4490 1.390594 9.221222 
1 1 1  -10   10   29 o  257.797   6.6611  450.761   23.271   0.0000   0.0000  450.761   23.271  ?   ?   257.797   6.6611      ?      ? 
1 1 1  -10   10   30 o  363.659   7.4720  898.600   36.815  890.523   52.473  906.429   51.664  362.038   10.695  365.281   10.437 -3.242859 14.94404 
1 1 1  -10   10   31 o  640.055   11.030  2784.31   95.670   0.0000   0.0000  2784.31   95.670  ?   ?   640.055   11.030      ?      ? 
1 1 1  -10   10   32 o  274.526   4.8868  510.937   18.166  519.828   26.307  502.834   25.114  276.802   7.0133  272.250   6.8072 4.551941 9.773667 
1 1 1  -10   10   33 o  413.870   5.7763  1162.72   32.395  1167.28   46.081  1158.26   45.550  414.670   8.2004  413.070   8.1374 1.599762 11.55263 
1 1 1  -10   10   34 o  194.146   4.5916  255.727   12.072  255.310   17.395  256.115   16.765  193.989   6.6172  194.303   6.3673 -0.3147125 9.183137 
1 1 1  -10   10   35 o  267.174   4.8112  483.839   17.407  497.980   25.200  470.932   24.074  270.900   6.8644  263.448   6.7433 7.452728 9.622463 
1 1 1  -10   10   36 o  278.792   4.8850  527.347   18.450  532.321   26.453  522.635   25.747  280.068   6.9699  277.516   6.8463 2.551941 9.769913 
1 1 1  -10   10   37 o  387.801   7.9516  1021.76   41.747  985.587   57.514  1062.05   60.693  380.572   11.152  395.030   11.338 -14.45840 15.90316 
1 1 1  -10   10   38 o  222.429   6.6903  334.342   20.106  305.744   27.280  368.348   29.749  212.076   9.4924  232.782   9.4306 -20.70677 13.38068 
1 1 1  -10   10   39 f  101.483   6.7081   73.164   8.3934   62.121   14.818   78.381   10.185   95.512   11.449  107.454   6.9944 -11.94247 13.41617 
1 1 1  -10   10   40 o  258.990   4.8058  455.122   16.857  460.913   24.323  449.771   23.383  260.567   6.8882  257.412   6.7033 3.155792 9.611529 
1 1 1  -10   10   41 o  313.493   7.3100  667.394   31.055  667.394   31.055   0.0000   0.0000  313.493   7.3100  ?   ?       ?      ? 
1 1 1  -10   10   42 f  181.629   4.6876  224.257   11.513  218.702   16.715  229.270   15.881  179.473   6.8727  183.785   6.3765 -4.311676 9.375227 
1 1 1  -10   10   43 o  242.739   5.9376  398.543   18.145  405.912   32.464  395.195   21.882  244.219   9.8094  241.258   6.6930 2.960999 11.87515 
1 1 1  -10   10   44 o  194.883   6.9144  258.214   18.241  275.637   26.254  241.954   25.363  201.245   9.6268  188.522   9.9278 12.72318 13.82883 
1 1 1  -10   10   45 o  453.164   7.6090  1384.90   43.771  1358.42   53.049  1441.38   77.477  446.892   8.7597  459.436   12.444 -12.54385 15.21802 
1 1 1  -10   10   46 f  431.525   5.9943  1266.55   35.051  1260.56   49.755  1272.45   49.387  430.502   8.5285  432.547   8.4255 -2.045563 11.98854 
1 1 1  -10   10   47 o  119.313   5.2686   97.075   8.4627   93.658   12.587   99.894   11.432  117.368   7.9140  121.259   6.9571 -3.891327 10.53725 
1 1 1  -10   10   48 o  304.646   6.3209  636.177   24.381  619.120   42.657  644.453   29.713  301.337   10.446  307.955   7.1198 -6.618073 12.64172 
1 1 1  -10   10   49 o  203.806   5.8215  273.387   14.826  306.294   27.471  259.864   17.610  212.033   9.5608  195.579   6.6446 16.45457 11.64297 
1 1 1  -10   10   50 o  189.602   4.7386  244.242   12.158  244.661   17.671  243.864   16.755  189.742   6.8725  189.461   6.5258 0.2816772 9.477194 
1 1 1  -10   10   51 f  117.093   5.2784   92.428   8.3388  104.194   12.462   82.888   11.221  123.784   7.4290  110.401   7.5004 13.38291 10.55683 
1 1 1  -10   10   52 o  278.787   4.9872  527.534   18.826  551.846   27.292  505.468   26.001  284.903   7.0691  272.672   7.0367 12.23035 9.974299 
1 1 1  -10   10   53 o  124.907   6.0195  105.303   9.9989  101.540   12.850  111.078   15.919  122.157   7.7624  127.656   9.2024 -5.499001 12.03908 
1 1 1  -10   10   54 o   39.778   13.966   9.6227   9.3193   9.6227   9.3193   0.0000   0.0000   39.778   13.966  ?   ?       ?      ? 
1 1 1  -10   10   55 o   65.253   7.8493   29.522   6.7467   29.946   10.149   29.186   9.0311   65.134   11.938   65.372   10.194 -0.2380524 15.69868 
1 1 1  -10   10   56 o  212.291   4.8587  307.028   13.934  278.361   19.655  335.997   19.758  202.276   7.1704  222.306   6.5586 -20.03040 9.717500 
1 1 1  -10   10   57 o  182.273   4.9371  225.465   12.177  235.980   17.825  216.264   16.674  186.240   7.0627  178.307   6.9007 7.932999 9.874258 
1 1 1  -10   10   58 o   66.160   7.9530   30.811   6.8624   27.935   10.308   33.099   9.1963   62.708   12.568   69.611   9.7488 -6.902809 15.90598 
1 1 1  -10   10   59 o  222.042   4.8936  335.586   14.714  332.556   21.166  338.420   20.468  221.052   7.0659  223.033   6.7720 -1.980728 9.787105 
1 1 1  -10   10   60 o  343.902   5.4625  806.012   25.446  779.192   35.979  832.857   35.995  338.145   7.8516  349.660   7.5964 -11.51434 10.92491 
1 1 1  -10   10   61 o  190.279   6.1548  248.281   14.627  244.187   26.304  250.114   17.599  188.861   10.278  191.697   6.7748 -2.836105 12.30962 
1 1 1  -10   10   62 o  127.292   5.5421  109.475   9.4883  118.555   14.526  102.718   12.531  131.822   8.1315  122.762   7.5325 9.059959 11.08425 
1 1 1  -10   10   63 o   59.142   10.456   25.161   7.7728   24.255   14.710   25.512   9.1555   58.373   17.335   59.912   11.696 -1.539291 20.91197 
1 1 1  -10   10   64 o  230.259   6.0771  359.384   17.645  370.829   31.553  354.177   21.284  232.540   10.013  227.978   6.8893 4.562012 12.15413 
1 1 1  -10   10   65 f  169.624   5.0631  194.064   11.568  225.296   17.381  169.229   15.499  181.755   7.0568  157.494   7.2622 24.26077 10.12611 
1 1 1  -10   10   66 o  229.458   4.9568  359.498   15.400  352.271   22.093  366.329   21.479  227.175   7.1764  231.741   6.8396 -4.566635 9.913677 
1 1 1  -10   10   67 o  179.344   4.9987  219.272   12.129  226.061   17.759  213.337   16.605  181.914   7.2041  176.774   6.9316 5.140137 9.997303 
1 1 1  -10   10   68 o  138.044   5.2719  130.156   9.8539  135.609   14.293  125.216   13.604  140.789   7.4914  135.299   7.4197 5.490082 10.54389 
1 1 1  -10   10   69 f  114.478   7.1447   87.878   10.407   83.156   12.556   98.245   18.605  110.042   8.4199  118.914   11.545 -8.872520 14.28940 
1 1 1  -10   10   70 o  100.255   6.0682   70.282   8.1006   57.822   11.781   81.457   11.157   91.516   9.4992  108.994   7.5536 -17.47829 12.13639 
1 1 1  -10   10   71 o  137.155   5.2175  128.237   9.6548  146.372   14.248  112.839   13.129  146.105   7.1961  128.204   7.5568 17.90108 10.43502 
1 1 1  -10   10   72 o  103.665   6.5855   72.044   9.0908   61.718   11.619   88.345   14.598   94.450   9.0776  112.880   9.5432 -18.43028 13.17106 
1 1 1  -10   10   73 o  132.625   6.3872  127.255   10.933  147.614   14.288   98.501   16.981  146.533   7.1955  118.717   10.555 27.81496 12.77448 
1 1 1  -10   10   74 o   65.040   7.7479   29.971   6.6828   32.148   9.8900   28.143   9.0655   67.663   10.786   62.417   11.126 5.245571 15.49585 
1 1 1  -10   10   75 o  138.984   5.1056  132.967   9.6040  138.489   14.017  128.080   13.186  141.671   7.3009  136.297   7.1389 5.374084 10.21116 
1 1 1  -10   10   76 o  128.743   5.2772  115.375   9.1080   96.074   12.851  134.855   12.911  117.635   8.0615  139.851   6.8123 -22.21625 10.55439 
1 1 1  -10   10   77 o   47.088   10.457   13.976   7.0379   24.627   13.029   9.5876   8.3629   56.386   16.196   37.789   13.232 18.59684 20.91415 
1 1 1  -10   10   78 o   49.759   12.352   18.604   8.2901   0.0000   0.0000   18.604   8.2901  ?   ?    49.759   12.352      ?      ? 
1 1 1  -10   10   79 o  119.293   6.8124  101.273   10.176   99.845   18.130  101.930   12.296  117.630   11.374  120.955   7.5017 -3.324348 13.62475 
1 1 1  -10   10   80 o   77.824   8.0697   40.879   8.0236   53.712   14.571   35.294   9.6122   85.409   12.590   70.240   10.098 15.16877 16.13934 
1 1 1  -10   10   81 o   50.611   11.877   19.648   9.5006   15.321   12.512   25.541   14.600   45.406   16.158   55.816   17.412 -10.40945 23.75397 
1 1 1  -10   10   82 o  140.999   7.9346  144.561   15.083  137.357   20.158  153.727   22.735  137.389   10.827  144.609   11.602 -7.220276 15.86916 
1 1 1  -10   10   83 o   99.460   9.0971   73.682   12.175   68.129   16.101   81.098   18.606   95.445   12.449  103.474   13.269 -8.029106 18.19418 
1 1 1  -10   10   84 o   71.849   11.180   43.445   10.700   50.358   13.938   33.525   16.697   81.759   12.580   61.939   18.486 19.81959 22.36069 
1 1 1  -10   10   85 o   97.549   9.0744   71.738   11.861   68.214   15.521   76.685   18.390   95.354   12.012   99.744   13.605 -4.390060 18.14883 
1 1 1  -10   10   86 o   80.542   10.709   52.949   11.153   55.921   14.539   48.700   17.384   85.759   12.510   75.325   17.384 10.43346 21.41722 
1 1 1  -10   10   87 o   63.740   15.047   33.608   12.788   33.608   12.788   0.0000   0.0000   63.740   15.047  ?   ?       ?      ? 
1 1 1  -10   10   88 o   50.165   16.260   21.613   12.628   21.613   12.628   0.0000   0.0000   50.165   16.260  ?   ?       ?      ? 
1 1 1  -10   10   89 o   31.722   13.869   1.7645   11.314   1.7645   11.314   0.0000   0.0000   31.722   13.869  ?   ?       ?      ? 
1 1 1  -10   10   90 o   54.003   15.936   25.871   12.463   25.871   12.463   0.0000   0.0000   54.003   15.936  ?   ?       ?      ? 
1 1 1  -10   10   91 o   26.545   12.381  -5.6974   10.932  -5.6974   10.932   0.0000   0.0000   26.545   12.381  ?   ?       ?      ? 
1 1 1  -10   11    1 o  460.875   6.1282  1440.56   38.264  1420.28   53.410  1461.94   54.846  457.547   8.6139  464.202   8.7188 -6.654388 12.25632 
1 1 1  -10   11    2 o  120.277   4.8116   97.950   7.8328   95.302   10.760  100.936   11.424  118.552   6.6976  122.003   6.9099 -3.450867 9.623149 
1 1 1  -10   11    3 o  305.177   4.9670  631.724   20.536  647.190   28.983  616.133   29.101  308.933   6.9230  301.422   7.1244 7.510834 9.934052 
1 1 1  -10   11    4 o  266.732   4.7549  482.419   17.183  481.990   24.052  482.867   24.557  266.613   6.6572  266.851   6.7909 -0.2383728 9.509712 
1 1 1  -10   11    5 o  244.812   5.4535  406.826   17.491  405.185   28.640  407.802   22.088  244.387   8.6480  245.238   6.6465 -0.8510437 10.90699 
1 1 1  -10   11    6 o  248.255   6.6863  417.901   22.494   0.0000   0.0000  417.901   22.494  ?   ?   248.255   6.6863      ?      ? 
1 1 1  -10   11    7 o  299.797   7.0567  609.496   28.669   0.0000   0.0000  609.496   28.669  ?   ?   299.797   7.0567      ?      ? 
1 1 1  -10   11    8 o  111.523   7.3783   84.350   11.151   0.0000   0.0000   84.350   11.151  ?   ?   111.523   7.3783      ?      ? 
1 1 1  -10   11    9 o  471.276   7.5124  1504.51   45.660  1518.48   77.734  1497.15   56.419  472.805   12.132  469.748   8.8630 3.056702 15.02489 
1 1 1  -10   11   10 o  103.613   5.7787   73.482   7.9846   68.768   12.217   76.997   10.550  100.674   8.9549  106.552   7.3063 -5.878036 11.55732 
1 1 1  -10   11   11 o  452.012   7.3129  1370.34   42.108  1339.39   51.151  1435.39   74.167  444.328   8.4951  459.697   11.906 -15.36896 14.62583 
1 1 1  -10   11   12 o  496.407   7.8296  1676.86   49.858  1684.45   61.394  1662.16   85.444  498.236   9.0930  494.578   12.749 3.657867 15.65916 
1 1 1  -10   11   13 o  262.846   9.0735  468.815   32.319   0.0000   0.0000  468.815   32.319  ?   ?   262.846   9.0735      ?      ? 
1 1 1  -10   11   14 o  250.614   5.5525  429.726   17.955  438.460   22.342  413.800   30.170  254.285   6.4837  246.942   9.0157 7.343262 11.10496 
1 1 1  -10   11   15 o  222.246   5.4818  334.861   16.510  334.861   16.510   0.0000   0.0000  222.246   5.4818  ?   ?       ?      ? 
1 1 1  -10   11   16 o  631.971   8.9136  2710.25   76.336  2710.25   76.336   0.0000   0.0000  631.971   8.9136  ?   ?       ?      ? 
1 1 1  -10   11   17 o  406.319   6.5051  1123.68   31.488  1127.20   36.678  1113.81   61.399  407.695   6.6388  404.943   11.189 2.751221 13.01014 
1 1 1  -10   11   18 o  540.011   7.8528  1997.19   50.435  2015.39   58.790  1946.46   98.156  545.036   7.9597  534.986   13.539 10.05035 15.70558 
1 1 1  -10   11   19 o  265.660   5.7101  459.281   19.728  414.565   24.204  547.775   34.050  247.220   7.2248  284.099   8.8443 -36.87962 11.42010 
1 1 1  -10   11   20 o  218.186   5.0813  315.502   13.539  306.281   15.884  340.001   25.891  212.540   5.5150  223.832   8.5359 -11.29208 10.16254 
1 1 1  -10   11   21 o  681.432   9.4034  3150.75   75.500  3142.64   87.321  3174.79  150.275  680.357   9.4710  682.506   16.248 -2.149109 18.80681 
1 1 1  -10   11   22 o  272.096   5.3651  490.485   17.558  477.274   20.416  528.005   34.408  265.305   5.6787  278.886   9.1043 -13.58109 10.73012 
1 1 1  -10   11   23 o   88.947   5.9332   53.592   6.7751   53.372   8.3311   54.024   11.642   88.701   6.9310   89.194   9.6318 -0.4925156 11.86631 
1 1 1  -10   11   24 o  124.775   5.1423  103.761   8.1442  100.475   9.8396  110.911   14.513  121.719   5.9653  127.830   8.3778 -6.110390 10.28460 
1 1 1  -10   11   25 o  168.306   5.3817  194.577   11.912  202.786   15.299  181.937   18.983  172.903   6.5293  163.709   8.5568 9.194366 10.76340 
1 1 1  -10   11   26 o  112.806   6.5615   86.881   9.9709   80.970   14.597   92.050   13.652  109.173   9.8667  116.438   8.6521 -7.265373 13.12291 
1 1 1  -10   11   27 o  272.002   5.3680  489.955   17.679  475.758   20.631  529.199   34.301  264.859   5.7480  279.145   9.0675 -14.28638 10.73593 
1 1 1  -10   11   28 o  295.696   7.0091  595.497   27.987  537.432   39.555  653.702   39.603  281.189   10.381  310.204   9.4210 -29.01498 14.01828 
1 1 1  -10   11   29 o  239.006   5.8726  384.908   17.555  395.574   31.860  380.258   21.037  241.271   9.7443  236.742   6.5573 4.528259 11.74523 
1 1 1  -10   11   30 o  278.838   4.8690  527.175   18.389  541.730   26.513  513.683   25.528  282.541   6.9246  275.134   6.8467 7.406525 9.737911 
1 1 1  -10   11   31 o  485.073   6.3898  1598.64   42.001  1599.52   59.707  1597.78   59.094  485.199   9.0808  484.947   8.9922 0.2518005 12.77969 
1 1 1  -10   11   32 o  133.189   5.8191  119.003   9.8423  124.690   17.442  116.345   11.922  135.443   9.5027  130.935   6.7190 4.507385 11.63815 
1 1 1  -10   11   33 o  367.330   6.6340  924.241   31.226  895.203   53.305  939.411   38.529  362.706   10.845  371.954   7.6439 -9.247803 13.26805 
1 1 1  -10   11   34 o  265.447   5.8766  479.281   19.958  476.849   34.417  480.513   24.497  264.823   9.5905  266.070   6.7942 -1.246490 11.75324 
1 1 1  -10   11   35 o  298.375   6.2647  614.034   23.946  633.868   29.667  576.960   40.561  305.550   7.1649  291.199   10.279 14.35080 12.52936 
1 1 1  -10   11   36 o   47.023   8.6500   16.169   5.7704   9.5497   8.8771   21.014   7.5937   39.410   13.642   54.636   10.639 -15.22586 17.29998 
1 1 1  -10   11   37 o  212.919   4.6579  308.274   13.398  279.374   18.898  337.477   18.997  202.851   6.8747  222.986   6.2866 -20.13513 9.315724 
1 1 1  -10   11   38 o  135.844   4.8786  124.367   8.9459  136.664   13.382  114.431   12.029  141.867   6.9607  129.820   6.8375 12.04672 9.757188 
1 1 1  -10   11   39 o  217.393   4.6672  320.597   13.737  326.832   19.930  314.953   18.960  219.398   6.7032  215.388   6.4960 4.010223 9.334398 
1 1 1  -10   11   40 f  239.970   4.7620  391.327   15.472  382.118   22.177  400.060   21.597  237.204   6.8992  242.736   6.5658 -5.531357 9.524053 
1 1 1  -10   11   41 o  154.802   4.8289  163.819   10.063  146.523   14.514  179.828   13.964  146.857   7.2930  162.747   6.3314 -15.89017 9.657883 
1 1 1  -10   11   42 o  186.278   4.6954  235.825   11.836  232.178   17.125  239.160   16.377  184.885   6.8352  187.671   6.4395 -2.785400 9.390759 
1 1 1  -10   11   43 o  313.407   5.1376  667.628   21.814  657.724   31.071  677.254   30.632  311.101   7.3701  315.713   7.1597 -4.611389 10.27520 
1 1 1  -10   11   44 o  332.871   5.2751  752.882   23.787  762.408   34.181  743.936   33.123  334.902   7.5316  330.840   7.3881 4.061737 10.55027 
1 1 1  -10   11   45 o  165.327   4.8721  184.949   10.864  193.353   16.309  178.244   14.567  168.673   7.1349  161.982   6.6364 6.691605 9.744121 
1 1 1  -10   11   46 o   94.401   7.1155   55.914   8.2653   72.557   16.168   50.026   9.6169  103.058   11.577   85.745   8.2764 17.31244 14.23107 
1 1 1  -10   11   47 o  101.008   5.8022   70.702   7.7898   60.561   11.655   78.890   10.473   94.290   9.1212  107.727   7.1739 -13.43614 11.60439 
1 1 1  -10   11   48 o  208.727   4.8186  295.504   13.602  305.145   19.998  287.204   18.555  211.874   6.9652  205.580   6.6603 6.294647 9.637114 
1 1 1  -10   11   49 o  442.250   7.5400  1324.59   42.336  1367.14   74.750  1304.50   51.370  446.851   12.344  437.649   8.6616 9.202362 15.07997 
1 1 1  -10   11   50 o   87.761   9.8647   53.994   11.291   65.150   16.149   43.324   15.793   97.539   12.218   77.983   15.491 19.55643 19.72932 
1 1 1  -10   11   51 o  170.723   7.1412  198.233   16.521  198.233   16.521   0.0000   0.0000  170.723   7.1412  ?   ?       ?      ? 
1 1 1  -10   11   52 o  169.697   7.1769  195.891   16.504  195.891   16.504   0.0000   0.0000  169.697   7.1769  ?   ?       ?      ? 
1 1 1  -10   11   53 o  395.908   5.7860  1067.83   31.037  1058.88   44.180  1076.55   43.612  394.249   8.2694  397.568   8.0950 -3.319122 11.57205 
1 1 1  -10   11   54 o   76.175   7.4891   38.411   7.5892   50.484   11.915   30.169   9.8443   85.949   10.230   66.401   10.940 19.54726 14.97814 
1 1 1  -10   11   55 o  192.393   4.8714  251.868   12.676  250.972   18.491  252.662   17.412  192.046   7.1053  192.741   6.6662 -0.6950531 9.742874 
1 1 1  -10   11   56 f   98.821   5.9809   67.525   7.8835   59.752   11.804   73.784   10.592   93.549   9.3113  104.093   7.5089 -10.54451 11.96177 
1 1 1  -10   11   57 o  160.815   5.0114  176.324   10.870  172.965   16.086  179.146   14.746  159.365   7.4488  162.266   6.7062 -2.901047 10.02285 
1 1 1  -10   11   58 o  165.488   6.0360  178.464   12.449  208.342   23.363  166.619   14.711  174.527   9.8785  156.449   6.9388 18.07809 12.07194 
1 1 1  -10   11   59 o  134.592   6.5649  127.045   10.860  115.990   19.675  131.889   13.023  130.007   11.167  139.176   6.9050 -9.169144 13.12979 
1 1 1  -10   11   60 o  189.292   4.9619  242.314   12.674  263.508   19.030  225.421   16.990  196.658   7.1408  181.926   6.8914 14.73180 9.923826 
1 1 1  -10   11   61 o  119.470   6.9906   98.972   10.170   95.145   18.968  100.516   12.048  117.524   11.910  121.416   7.3225 -3.891891 13.98118 
1 1 1  -10   11   62 o  173.514   6.1902  205.670   13.344  206.762   24.350  205.201   15.953  173.510   10.356  173.519   6.7845 -0.9735107E-02 12.38045 
1 1 1  -10   11   63 o  220.660   4.9784  333.070   14.845  310.839   21.266  354.202   20.733  213.391   7.3540  227.930   6.7126 -14.53952 9.956870 
1 1 1  -10   11   64 o  316.425   5.3208  684.492   22.805  671.727   32.551  696.797   31.958  313.477   7.6626  319.373   7.3842 -5.896271 10.64153 
1 1 1  -10   11   65 f  113.334   5.7464   86.588   8.7552  101.676   13.373   75.271   11.582  121.841   8.0995  104.825   8.1536 17.01609 11.49277 
1 1 1  -10   11   66 o   88.223   6.6409   54.236   7.8364   47.580   11.551   59.911   10.666   83.012   10.269   93.435   8.4239 -10.42300 13.28186 
1 1 1  -10   11   67 o  117.017   7.0718   89.385   10.664   78.948   12.912  111.780   18.913  107.105   8.8961  126.929   10.996 -19.82357 14.14369 
1 1 1  -10   11   68 o  226.478   4.9706  350.838   15.238  360.242   22.182  342.434   20.970  229.311   7.1381  223.645   6.9192 5.665665 9.941254 
1 1 1  -10   11   69 o  137.691   5.2338  128.870   9.7176  146.065   14.583  115.138   13.033  145.877   7.3771  129.505   7.4262 16.37202 10.46751 
1 1 1  -10   11   70 o  129.386   5.3301  115.620   9.2977  108.846   13.595  121.574   12.744  125.695   7.9812  133.078   7.0669 -7.383194 10.66026 
1 1 1  -10   11   71 o   70.141   8.3864   35.146   7.7469   35.038   10.399   35.281   11.612   70.712   10.853   69.569   12.789 1.142181 16.77287 
1 1 1  -10   11   72 o  118.052   5.4973   96.999   8.7224   86.544   12.661  106.443   12.033  111.775   8.3590  124.328   7.1421 -12.55283 10.99468 
1 1 1  -10   11   73 o   59.823   8.2298   26.730   6.4061   20.469   9.6594   31.646   8.5591   52.339   13.523   67.308   9.3838 -14.96910 16.45951 
1 1 1  -10   11   74 o   31.977   8.9418   4.5845   5.6840   5.1340   8.7378   4.1813   7.4839   33.261   13.131   30.693   12.141 2.568115 17.88363 
1 1 1  -10   11   75 o   34.219   9.0543   5.8399   6.4180  -7.6015   11.523   11.886   7.7277   27.981   12.933   40.457   12.675 -12.47604 18.10864 
1 1 1  -10   11   76 o   27.586   8.7721  -2.6970   6.1496  -1.2508   11.672  -3.2527   7.2353   31.691   13.964   23.481   10.621 8.210262 17.54415 
1 1 1  -10   11   77 o   75.154   9.3980   39.980   9.5713   0.0000   0.0000   39.980   9.5713  ?   ?    75.154   9.3980      ?      ? 
1 1 1  -10   11   78 o   93.829   8.3601   69.344   9.0767   52.884   15.985   77.176   11.027   82.653   14.816  105.006   7.7491 -22.35361 16.72015 
1 1 1  -10   11   79 o  110.869   8.3148   89.656   12.462   83.125   16.943   97.353   18.393  106.506   11.739  115.232   11.779 -8.726067 16.62959 
1 1 1  -10   11   80 o   46.618   11.355   13.283   9.6400   1.1188   12.790   29.281   14.668   33.939   14.794   59.298   17.229 -25.35965 22.70925 
1 1 1  -10   11   81 o   90.571   9.5894   60.967   11.630   52.436   15.130   73.291   18.184   83.098   13.436   98.045   13.686 -14.94656 19.17878 
1 1 1  -10   11   82 o   46.872   11.902   16.135   9.4303   11.970   11.924   23.090   15.410   41.323   15.595   52.420   17.984 -11.09679 23.80352 
1 1 1  -10   11   83 o   37.630   10.791   7.0005   9.0111   12.804   11.676  -1.5459   14.169   41.833   15.503   33.427   15.014 8.406006 21.58131 
1 1 1  -10   11   84 o   77.756   10.801   49.442   11.018   53.019   14.707   44.867   16.634   83.128   13.055   72.384   17.210 10.74344 21.60174 
1 1 1  -10   11   85 o   38.369   11.201   7.7353   9.2602   6.0107   11.881   10.405   14.781   35.734   14.860   41.003   16.763 -5.269005 22.40116 
1 1 1  -10   11   86 o   38.001   15.202   9.1214   11.861   9.1214   11.861   0.0000   0.0000   38.001   15.202  ?   ?       ?      ? 
1 1 1  -10   11   87 o   33.378   14.141   4.3912   11.074   4.3912   11.074   0.0000   0.0000   33.378   14.141  ?   ?       ?      ? 
1 1 1  -10   11   88 o   36.815   14.959   8.5194   11.680   8.5194   11.680   0.0000   0.0000   36.815   14.959  ?   ?       ?      ? 
1 1 1  -10   11   89 o   41.730   16.367   14.046   13.494   14.046   13.494   0.0000   0.0000   41.730   16.367  ?   ?       ?      ? 
1 1 1  -10   12    1 f  147.470   6.0177  143.447   11.227  159.154   20.293  136.518   13.478  153.081   9.7824  141.859   7.0112 11.22197 12.03545 
1 1 1  -10   12    2 o  291.005   6.1740  573.467   22.814  578.843   40.080  570.891   27.747  291.918   10.132  290.092   7.0582 1.825256 12.34797 
1 1 1  -10   12    3 o  162.307   4.7243  179.214   10.360  191.281   14.471  166.524   14.839  167.937   6.3585  156.677   6.9890 11.25995 9.448647 
1 1 1  -10   12    4 o  574.833   7.1815  2242.85   55.917  2191.56   77.652  2298.08   80.586  568.022   10.088  581.644   10.224 -13.62183 14.36305 
1 1 1  -10   12    5 o   80.327   5.9579   44.028   6.4335   45.954   8.6858   41.686   9.5759   82.294   7.7885   78.359   9.0180 3.935104 11.91574 
1 1 1  -10   12    6 o  561.374   7.0706  2137.83   53.751  2071.84   74.319  2210.22   77.833  552.310   9.9296  570.438   10.069 -18.12799 14.14122 
1 1 1  -10   12    7 o  157.139   4.6879  166.021   9.9290  144.627   13.405  192.027   14.779  146.018   6.7744  168.261   6.4816 -22.24309 9.375705 
1 1 1  -10   12    8 o  291.613   4.9260  575.775   19.445  553.344   26.754  600.894   28.312  285.606   6.9125  297.619   7.0198 -12.01306 9.851942 
1 1 1  -10   12    9 o  152.953   4.6658  158.858   9.6585  163.124   13.442  154.305   13.887  155.083   6.3963  150.823   6.7944 4.260071 9.331514 
1 1 1  -10   12   10 o  520.748   6.7053  1840.78   47.304  1813.04   65.920  1870.24   67.919  516.713   9.4142  524.784   9.5506 -8.071350 13.41052 
1 1 1  -10   12   11 o  342.833   7.6531  797.548   35.555  797.548   35.555   0.0000   0.0000  342.833   7.6531  ?   ?       ?      ? 
1 1 1  -10   12   12 o  488.772   7.4281  1620.97   49.201  1620.97   49.201   0.0000   0.0000  488.772   7.4281  ?   ?       ?      ? 
1 1 1  -10   12   13 o  135.759   5.0981  120.690   8.5213  115.057   10.015  135.459   16.217  130.256   5.6740  141.262   8.4716 -11.00571 10.19615 
1 1 1  -10   12   14 o  393.855   6.3722  1032.78   29.557  1012.52   34.033  1094.93   59.622  386.353   6.5003  401.357   10.962 -15.00385 12.74446 
1 1 1  -10   12   15 o  534.659   7.8156  1938.89   49.356  1934.36   57.157  1952.18   97.868  533.861   7.9006  535.456   13.488 -1.595032 15.63124 
1 1 1  -10   12   16 o  299.314   5.5872  591.098   19.870  573.707   22.934  643.446   39.789  290.849   5.8188  307.779   9.5399 -16.93005 11.17440 
1 1 1  -10   12   17 o  338.156   5.9826  788.445   24.257  802.870   28.471  750.248   46.330  344.048   6.1066  332.264   10.289 11.78479 11.96514 
1 1 1  -10   12   18 o  382.109   6.2706  973.814   28.361  955.740   32.749  1028.02   56.714  375.349   6.4385  388.868   10.762 -13.51938 12.54114 
1 1 1  -10   12   19 o  499.114   7.4549  1688.99   44.076  1684.28   51.114  1702.64   87.040  498.155   7.5717  500.073   12.844 -1.917480 14.90975 
1 1 1  -10   12   20 o  348.073   6.3711  813.227   28.464  793.488   34.831  852.909   49.387  341.919   7.5174  354.226   10.288 -12.30743 12.74214 
1 1 1  -10   12   21 o  344.479   7.2722  802.385   33.855  734.265   46.050  882.509   49.943  328.647   10.340  360.311   10.229 -31.66446 14.54437 
1 1 1  -10   12   22 o  308.607   6.0634  646.420   24.237  645.455   30.124  648.192   40.812  308.387   7.2083  308.827   9.7518 -0.4402771 12.12676 
1 1 1  -10   12   23 o  166.489   5.4513  189.888   11.933  195.633   15.267  180.868   19.130  169.797   6.6351  163.181   8.6511 6.615967 10.90260 
1 1 1  -10   12   24 o  230.081   5.5560  357.965   16.741  353.790   21.059  365.134   27.595  228.326   6.8063  231.836   8.7835 -3.510208 11.11194 
1 1 1  -10   12   25 o  243.101   6.8587  405.033   22.388  370.586   33.076  434.158   30.413  233.419   10.457  252.783   8.8783 -19.36371 13.71732 
1 1 1  -10   12   26 o  269.690   9.2752  494.349   33.898   0.0000   0.0000  494.349   33.898  ?   ?   269.690   9.2752      ?      ? 
1 1 1  -10   12   27 o  145.833   5.7843  147.871   11.045  160.165   14.279  129.555   17.428  153.612   6.8593  138.053   9.3159 15.55872 11.56870 
1 1 1  -10   12   28 o  581.924   8.3785  2330.88   58.043  2357.89   67.749  2256.35  112.539  589.091   8.4867  574.757   14.449 14.33392 16.75694 
1 1 1  -10   12   29 o  226.527   5.1934  340.469   14.360  330.589   16.842  366.768   27.478  220.747   5.6302  232.306   8.7285 -11.55980 10.38685 
1 1 1  -10   12   30 o   64.437   7.3323   27.386   6.2141   24.909   7.7579   31.820   10.380   60.521   9.4592   68.353   11.206 -7.831409 14.66466 
1 1 1  -10   12   31 f   84.206   6.7405   50.644   7.0193   54.893   8.5704   41.985   12.234   89.914   7.0338   78.497   11.501 11.41699 13.48096 
1 1 1  -10   12   32 o  221.098   5.7266  321.721   16.122  303.251   19.436  362.451   28.863  211.342   6.7865  230.854   9.2261 -19.51205 11.45329 
1 1 1  -10   12   33 o  284.904   4.9159  551.267   18.976  540.650   26.869  561.833   26.804  282.160   7.0270  287.648   6.8764 -5.488190 9.831758 
1 1 1  -10   12   34 o   85.692   5.8326   50.013   6.7373   48.892   9.9952   50.946   9.1206   84.795   8.6984   86.589   7.7728 -1.794205 11.66526 
1 1 1  -10   12   35 o  232.826   4.7096  368.332   14.848  352.551   21.048  383.962   20.947  227.847   6.8170  237.805   6.5001 -9.958176 9.419296 
1 1 1  -10   12   36 o  145.160   4.7570  143.221   9.3352  141.228   13.630  144.981   12.812  144.196   6.9753  146.124   6.4701 -1.928131 9.514012 
1 1 1  -10   12   37 o   80.888   6.1321   45.058   6.6113   40.917   10.027   48.244   8.7938   77.526   9.5438   84.251   7.7023 -6.724434 12.26418 
1 1 1  -10   12   38 o   56.508   8.1317   22.604   6.0349   19.892   9.2523   24.611   7.9617   52.902   12.999   60.114   9.7735 -7.211334 16.26337 
1 1 1  -10   12   39 o   83.415   6.1539   47.896   6.8481   43.666   10.368   51.170   9.1208   80.074   9.5547   86.756   7.7580 -6.682549 12.30771 
1 1 1  -10   12   40 o  283.761   4.9745  546.934   19.120  553.616   27.534  540.711   26.570  285.424   7.1187  282.098   6.9503 3.326782 9.949030 
1 1 1  -10   12   41 o  216.921   4.7529  319.997   13.957  310.982   20.021  328.520   19.466  213.930   6.9061  219.912   6.5319 -5.982529 9.505804 
1 1 1  -10   12   42 o  148.428   4.9544  150.773   9.8954  135.971   14.364  164.143   13.651  141.413   7.4957  155.442   6.4807 -14.02878 9.908849 
1 1 1  -10   12   43 o  262.863   6.0290  458.442   19.874  501.732   36.404  440.063   23.721  271.266   9.9032  254.461   6.8791 16.80457 12.05800 
1 1 1  -10   12   44 o  137.123   5.2342  129.996   9.5636  110.348   14.118  146.658   13.001  127.333   8.1818  146.913   6.5303 -19.58000 10.46832 
1 1 1  -10   12   45 o  311.569   5.1652  659.907   21.797  667.872   31.407  652.507   30.276  313.368   7.3958  309.771   7.2123 3.597107 10.33034 
1 1 1  -10   12   46 o  364.923   5.5234  906.239   27.310  905.490   38.982  906.960   38.271  364.759   7.8863  365.086   7.7355 -0.3263855 11.04684 
1 1 1  -10   12   47 f  107.115   6.9423   81.639   9.6496   97.826   12.875   60.892   14.576  119.880   7.9251   94.349   11.401 25.53172 13.88456 
1 1 1  -10   12   48 o  390.334   7.0018  1059.72   35.530  1117.11   45.074  965.558   57.741  405.005   8.2127  375.664   11.342 29.34140 14.00351 
1 1 1  -10   12   49 o  205.646   7.1881  287.707   20.032  287.707   20.032   0.0000   0.0000  205.646   7.1881  ?   ?       ?      ? 
1 1 1  -10   12   50 o  388.542   5.8002  1028.52   30.538  1017.29   43.226  1039.71   43.148  386.410   8.2549  390.673   8.1501 -4.262482 11.60032 
1 1 1  -10   12   51 o  132.416   5.7037  123.653   9.8287   87.149   14.251  156.765   13.573  113.002   9.3065  151.830   6.5969 -38.82792 11.40748 
1 1 1  -10   12   52 o  128.889   5.3438  113.212   9.2853  112.161   13.819  114.076   12.537  128.310   7.9475  129.469   7.1458 -1.158463 10.68763 
1 1 1  -10   12   53 o  181.082   4.9398  223.029   12.082  224.663   17.855  221.648   16.409  181.663   7.2529  180.501   6.7085 1.161728 9.879678 
1 1 1  -10   12   54 o  115.034   6.9084   85.623   9.7499  101.971   18.878   79.677   11.386  121.933   11.425  108.134   7.7700 13.79882 13.81688 
1 1 1  -10   12   55 o  207.696   7.3347  296.460   20.564  272.044   29.463  319.652   28.715  199.211   10.914  216.182   9.8019 -16.97105 14.66945 
1 1 1  -10   12   56 o  117.974   8.6069   97.730   13.413   74.582   19.274  119.465   18.677  103.909   13.688  132.038   10.438 -28.12946 17.21371 
1 1 1  -10   12   57 o  146.605   6.5457  149.838   11.737  140.297   21.587  153.842   13.984  142.919   11.146  150.291   6.8662 -7.372635 13.09130 
1 1 1  -10   12   58 o  206.732   4.9597  291.084   13.852  293.496   20.445  289.038   18.833  207.479   7.2717  205.986   6.7468 1.492889 9.919477 
1 1 1  -10   12   59 o   84.255   8.1799   43.516   8.5540   63.208   16.690   36.501   9.9618   95.583   12.885   72.928   10.080 22.65482 16.35972 
1 1 1  -10   12   60 o  184.721   5.0328  233.762   12.533  221.255   18.373  244.648   17.141  180.004   7.5321  189.438   6.6771 -9.433853 10.06555 
1 1 1  -10   12   61 o  112.956   6.0422   90.901   8.8542   64.495   13.013  113.662   12.082   96.854   9.9150  129.059   6.9082 -32.20525 12.08435 
1 1 1  -10   12   62 o  196.782   5.0078  265.813   13.273  234.337   18.892  296.490   18.651  185.118   7.5310  208.446   6.6029 -23.32788 10.01568 
1 1 1  -10   12   63 o   90.037   6.6475   57.256   7.8908   46.234   11.792   66.193   10.618   81.787   10.640   98.286   7.9722 -16.49979 13.29510 
1 1 1  -10   12   64 o  179.084   6.1928  215.137   14.308  203.715   17.510  238.084   24.820  172.459   7.4925  185.709   9.8623 -13.25017 12.38560 
1 1 1  -10   12   65 o   60.160   10.751   25.183   8.5629   20.388   10.704   33.707   14.271   52.827   14.508   67.492   15.870 -14.66573 21.50243 
1 1 1  -10   12   66 o   89.611   6.7857   58.611   7.7646   39.556   11.590   74.130   10.459   75.287   11.360  103.935   7.4258 -28.64713 13.57133 
1 1 1  -10   12   67 o  111.997   5.7758   88.152   8.5814   71.299   12.551  102.946   11.759  101.512   9.1240  122.483   7.0847 -20.97079 11.55164 
1 1 1  -10   12   68 o  110.738   5.7078   84.986   8.5146   80.166   12.514   89.141   11.619  107.673   8.5764  113.802   7.5339 -6.129143 11.41553 
1 1 1  -10   12   69 o   62.086   9.3480   29.153   7.7852   37.797   10.597   19.015   11.476   73.424   10.650   50.749   15.366 22.67523 18.69605 
1 1 1  -10   12   70 f  134.478   5.3427  125.716   9.6602  109.898   13.833  140.776   13.497  125.975   8.1029  142.981   6.9657 -17.00609 10.68540 
1 1 1  -10   12   71 o   80.732   6.7169   46.838   7.1370   37.314   10.621   54.678   9.6369   72.672   10.785   88.791   8.0091 -16.11940 13.43372 
1 1 1  -10   12   72 o   45.546   8.9254   17.036   6.7883  -2.1179   12.564   24.932   8.0670   32.514   14.399   58.578   10.550 -26.06376 17.85072 
1 1 1  -10   12   73 o   61.286   9.7378   28.263   7.4331   27.277   13.785   28.668   8.8262   58.974   16.566   63.598   10.241 -4.623573 19.47553 
1 1 1  -10   12   74 o  118.965   6.8567  101.277   10.092   97.350   18.234  103.010   12.117  116.191   11.581  121.738   7.3447 -5.546326 13.71334 
1 1 1  -10   12   75 o   71.255   9.7216   36.096   9.3872   0.0000   0.0000   36.096   9.3872  ?   ?    71.255   9.7216      ?      ? 
1 1 1  -10   12   76 o   64.427   9.9410   37.089   8.0110   19.262   15.216   43.926   9.4227   50.045   17.817   78.809   8.8231 -28.76387 19.88207 
1 1 1  -10   12   77 o   83.198   10.090   53.338   11.067   56.025   15.244   50.344   16.092   86.636   12.984   79.760   15.447 6.876015 20.17906 
1 1 1  -10   12   78 o   56.273   11.312   26.111   9.7829   36.950   13.394   13.715   14.323   68.155   14.916   44.391   17.010 23.76354 22.62348 
1 1 1  -10   12   79 o   61.333   11.579   32.065   10.222   40.521   13.746   21.604   15.289   71.380   14.700   51.285   17.894 20.09533 23.15842 
1 1 1  -10   12   80 o   72.873   11.230   42.475   10.775   32.860   14.224   55.425   16.507   62.646   16.519   83.100   15.219 -20.45396 22.46075 
1 1 1  -10   12   81 o   47.406   12.082   17.852   9.7947   16.798   12.690   19.405   15.405   46.003   16.283   48.809   17.854 -2.805870 24.16386 
1 1 1  -10   12   82 o   65.525   11.636   35.130   10.559   23.669   13.890   50.825   16.254   52.610   17.053   78.440   15.837 -25.83019 23.27222 
1 1 1  -10   12   83 o   92.199   9.9416   66.054   11.988   53.771   15.892   82.271   18.260   81.204   14.994  103.195   13.058 -21.99088 19.88319 
1 1 1  -10   12   84 o   44.644   16.192   16.157   12.632   16.157   12.632   0.0000   0.0000   44.644   16.192  ?   ?       ?      ? 
1 1 1  -10   12   85 o   30.060   13.559  -1.6326   11.697  -1.6326   11.697   0.0000   0.0000   30.060   13.559  ?   ?       ?      ? 
1 1 1  -10   12   87 o   34.674   14.708   5.8830   12.000   5.8830   12.000   0.0000   0.0000   34.674   14.708  ?   ?       ?      ? 
1 1 1  -10   12   88 o   42.224   15.935   15.403   12.450   15.403   12.450   0.0000   0.0000   42.224   15.935  ?   ?       ?      ? 
1 1 1  -10   13    1 o  102.620   5.3172   69.811   7.2352   52.080   9.5274   93.967   11.121   87.575   8.0281  117.665   6.9743 -30.09020 10.63444 
1 1 1  -10   13    2 o  208.859   4.6139  294.468   13.021  276.033   17.617  316.669   19.332  201.695   6.4453  216.024   6.6038 -14.32924 9.227799 
1 1 1  -10   13    3 o  165.668   4.6091  186.570   10.322  191.929   14.233  180.623   14.992  168.192   6.2445  163.143   6.7811 5.048325 9.218294 
1 1 1  -10   13    4 o  221.481   4.6489  333.100   13.937  338.528   19.349  327.246   20.092  223.367   6.3922  219.596   6.7519 3.771332 9.297799 
1 1 1  -10   13    5 o   64.959   9.7003   36.955   7.2695   43.535   8.2647   14.461   15.280   80.078   7.6161   49.840   17.843 30.23790 19.40068 
1 1 1  -10   13    6 o  216.434   6.1334  329.784   16.170  346.361   19.335  291.223   29.490  225.940   6.3149  206.928   10.517 19.01164 12.26688 
1 1 1  -10   13    7 o  172.262   6.1087  201.877   12.675  202.236   14.853  200.916   24.313  172.645   6.3486  171.880   10.438 0.7653961 12.21734 
1 1 1  -10   13    8 o  219.443   4.6599  326.813   13.840  327.667   19.112  325.872   20.068  219.752   6.4179  219.133   6.7580 0.6197510 9.319884 
1 1 1  -10   13    9 o  100.980   5.2669   68.736   7.1777   64.001   9.6310   74.652   10.765   97.099   7.3193  104.861   7.5756 -7.761986 10.53383 
1 1 1  -10   13   10 o  132.666   4.8895  119.151   8.7755  114.544   11.992  124.464   12.876  129.915   6.8114  135.417   7.0168 -5.501740 9.779054 
1 1 1  -10   13   11 o  401.323   6.8710  1072.02   35.033  1031.56   42.312  1160.20   62.474  389.748   8.0112  412.899   11.165 -23.15054 13.74201 
1 1 1  -10   13   12 o  136.121   5.4400  131.536   8.9033  139.150   10.586  113.128   16.459  143.231   5.4538  129.012   9.4143 14.21916 10.87998 
1 1 1  -10   13   13 o  273.602   5.4647  501.784   17.799  494.829   20.640  521.965   35.158  270.087   5.6392  277.117   9.3622 -7.030182 10.92937 
1 1 1  -10   13   14 o  203.238   5.1555  277.737   12.592  274.678   14.689  286.212   24.454  201.237   5.3865  205.239   8.7922 -4.002167 10.31105 
1 1 1  -10   13   15 o  220.189   5.4582  323.157   15.461  310.697   18.907  348.306   26.861  213.970   6.5207  226.408   8.7548 -12.43858 10.91634 
1 1 1  -10   13   16 o  220.349   6.2388  329.144   18.607  311.680   25.594  348.721   27.098  214.165   8.8187  226.533   8.8273 -12.36832 12.47762 
1 1 1  -10   13   17 o  274.833   5.8263  514.058   20.620  516.183   25.494  510.040   35.064  275.767   6.8220  273.899   9.4468 1.867523 11.65255 
1 1 1  -10   13   18 o  311.855   5.7381  651.784   21.318  642.295   24.727  679.259   42.078  307.678   5.9305  316.033   9.8251 -8.355377 11.47622 
1 1 1  -10   13   19 o  281.413   5.5337  531.407   18.657  524.193   21.714  551.760   36.470  277.962   5.7646  284.863   9.4475 -6.901733 11.06734 
1 1 1  -10   13   20 o  312.168   5.7106  648.366   21.248  633.899   24.607  690.768   42.126  305.651   5.9408  318.685   9.7546 -13.03400 11.42129 
1 1 1  -10   13   21 o  189.381   5.5801  239.586   14.004  225.540   17.797  262.425   22.694  182.253   7.2059  196.508   8.5221 -14.25557 11.16023 
1 1 1  -10   13   22 o   56.117   9.5761   22.383   7.2340   18.966   10.225   25.808   10.236   51.862   14.153   60.372   12.903 -8.510139 19.15219 
1 1 1  -10   13   23 o  288.806   5.5977  561.915   19.376  556.567   22.577  576.866   37.749  286.397   5.8173  291.214   9.5654 -4.817444 11.19549 
1 1 1  -10   13   24 o  352.094   6.1170  848.393   25.783  854.936   30.153  830.598   49.725  354.909   6.2694  349.279   10.506 5.629913 12.23407 
1 1 1  -10   13   25 o  131.593   5.5611  121.520   9.0296  127.642   10.892  108.069   16.145  137.147   5.8607  126.039   9.4527 11.10758 11.12216 
1 1 1  -10   13   26 o  248.588   5.3187  407.826   15.942  394.334   18.541  446.091   31.225  241.065   5.6757  256.112   8.9967 -15.04645 10.63742 
1 1 1  -10   13   27 o  304.101   5.7460  633.902   21.027  640.342   24.680  616.850   40.160  307.164   5.9291  301.039   9.8444 6.124298 11.49199 
1 1 1  -10   13   28 f  254.154   5.6775  438.352   19.554  438.352   19.554   0.0000   0.0000  254.154   5.6775  ?   ?       ?      ? 
1 1 1  -10   13   29 o  350.396   6.2600  833.520   29.725  833.520   29.725   0.0000   0.0000  350.396   6.2600  ?   ?       ?      ? 
1 1 1  -10   13   30 o  178.755   5.2069  216.096   11.480  214.682   13.633  219.543   21.287  177.855   5.6562  179.654   8.7439 -1.798569 10.41385 
1 1 1  -10   13   31 o  219.972   5.3203  329.013   14.263  329.243   16.832  328.427   26.863  220.252   5.6394  219.693   9.0233 0.5591583 10.64059 
1 1 1  -10   13   32 o  317.233   5.8686  685.452   22.384  686.666   26.205  682.177   43.051  318.026   6.0805  316.440   10.039 1.585754 11.73718 
1 1 1  -10   13   33 o  131.152   5.4456  113.431   8.9993  107.851   10.764  126.392   16.404  126.024   6.3027  136.280   8.8823 -10.25539 10.89121 
1 1 1  -10   13   34 o  199.983   5.2600  271.343   12.936  270.658   15.346  273.027   24.049  199.680   5.6711  200.286   8.8605 -0.6068573 10.52001 
1 1 1  -10   13   35 o  172.182   5.1843  195.766   11.188  187.024   13.334  216.558   20.564  165.967   5.9287  178.396   8.5064 -12.42882 10.36863 
1 1 1  -10   13   36 o  186.772   4.6985  237.266   11.875  230.818   17.113  243.253   16.491  184.306   6.8518  189.237   6.4309 -4.931213 9.397021 
1 1 1  -10   13   37 o  107.412   5.3844   78.420   7.7984   78.831   11.637   78.084   10.507  107.649   7.9772  107.175   7.2342 0.4731522 10.76889 
1 1 1  -10   13   38 o  128.646   5.0777  111.799   8.8154  120.159   13.223  105.111   11.827  132.938   7.3398  124.354   7.0186 8.583900 10.15545 
1 1 1  -10   13   39 o  236.902   6.9603  381.493   22.345  381.493   22.345   0.0000   0.0000  236.902   6.9603  ?   ?       ?      ? 
1 1 1  -10   13   40 o  262.598   6.2289  479.283   20.512  443.838   36.039  496.267   24.947  254.991   10.430  270.204   6.8131 -15.21356 12.45776 
1 1 1  -10   13   41 o  226.328   6.0328  354.969   17.144  332.265   30.144  365.824   20.843  220.656   10.081  232.000   6.6298 -11.34396 12.06555 
1 1 1  -10   13   42 o  121.005   5.4056   99.348   8.8402  103.354   13.082   95.981   11.993  123.231   7.8337  118.780   7.4507 4.451332 10.81111 
1 1 1  -10   13   43 o  365.668   6.7164  917.058   31.803  929.317   39.677  895.030   53.187  369.478   7.9244  361.859   10.846 7.618011 13.43277 
1 1 1  -10   13   44 o   71.874   8.6981   36.999   8.0614   44.498   11.026   28.386   11.817   80.723   10.079   63.025   14.179 17.69859 17.39612 
1 1 1  -10   13   45 o   84.018   6.6949   48.088   7.5330   48.701   11.606   47.642   9.9021   84.436   10.143   83.600   8.7406 0.8361969 13.38976 
1 1 1  -10   13   46 o  125.183   7.0281  109.926   11.272  116.915   14.102   97.564   18.755  131.022   7.9427  119.343   11.597 11.67842 14.05612 
1 1 1  -10   13   47 f  209.751   6.0979  299.479   16.550  298.342   20.539  301.585   27.948  209.376   7.2388  210.125   9.8152 -0.7491302 12.19580 
1 1 1  -10   13   48 o   82.889   6.7754   47.418   7.4517   44.269   11.571   49.650   9.7403   80.438   10.615   85.340   8.4224 -4.901924 13.55077 
1 1 1  -10   13   49 o  149.383   5.0924  151.948   10.246  151.489   15.347  152.318   13.762  149.140   7.5934  149.625   6.7875 -0.4847717 10.18475 
1 1 1  -10   13   50 f  177.113   4.9583  212.735   11.852  221.864   17.715  205.338   15.947  180.513   7.2419  173.713   6.7745 6.800278 9.916552 
1 1 1  -10   13   51 o  170.423   5.1031  199.577   11.673  180.181   17.180  216.206   15.908  162.591   7.7974  178.255   6.5855 -15.66414 10.20629 
1 1 1  -10   13   52 o  137.253   6.9979  137.319   11.411  110.712   21.041  148.405   13.582  126.859   12.239  147.648   6.7880 -20.78870 13.99571 
1 1 1  -10   13   53 f  101.649   8.8058   80.669   9.6693   55.974   18.503   89.946   11.341   88.409   16.035  114.888   7.2844 -26.47902 17.61169 
1 1 1  -10   13   54 f  246.926   6.3223  423.908   19.444  398.745   34.714  435.412   23.472  241.034   10.628  252.819   6.8509 -11.78418 12.64453 
1 1 1  -10   13   55 o  189.416   5.0106  244.684   12.808  243.573   18.976  245.614   17.358  188.966   7.4102  189.865   6.7462 -0.8984985 10.02114 
1 1 1  -10   13   56 f  151.026   6.4959  158.107   11.999  151.885   22.216  160.669   14.258  148.536   11.037  153.516   6.8536 -4.979874 12.99182 
1 1 1  -10   13   57 o   96.963   7.5744   59.435   8.9399   77.174   17.808   53.459   10.337  105.568   12.448   88.358   8.6328 17.21011 15.14873 
1 1 1  -10   13   58 o  114.515   5.6908   90.537   8.7260   83.526   13.080   96.160   11.713  110.382   8.7446  118.647   7.2852 -8.265549 11.38160 
1 1 1  -10   13   59 o   96.315   6.2280   64.149   7.9814   60.923   12.349   66.463   10.460   94.092   9.6846   98.538   7.8333 -4.446846 12.45600 
1 1 1  -10   13   60 o  159.100   6.4215  178.499   12.653  162.720   22.592  185.711   15.273  153.340   10.872  164.860   6.8364 -11.52042 12.84303 
1 1 1  -10   13   61 o   35.451   10.514  -2.6157   9.1662   10.155   13.674 -13.0373   12.352   43.662   16.646   27.240   12.848 16.42275 21.02804 
1 1 1  -10   13   62 o  172.781   6.2176  200.536   13.931  188.980   17.141  223.028   23.913  165.978   7.6207  179.583   9.8264 -13.60454 12.43513 
1 1 1  -10   13   63 o   57.826   8.9600   23.928   6.7689   27.593   10.476   21.302   8.8687   61.556   12.968   54.095   12.367 7.460434 17.91999 
1 1 1  -10   13   64 o   74.188   7.5213   39.900   7.1276   32.961   10.863   45.145   9.4447   67.510   12.329   80.866   8.6186 -13.35635 15.04268 
1 1 1  -10   13   65 o   61.939   8.3110   26.377   6.7312   42.106   10.528   15.499   8.7544   77.761   9.9904   46.117   13.285 31.64359 16.62203 
1 1 1  -10   13   66 o  104.660   6.7569   76.637   9.4051   78.312   12.270   74.252   14.644  106.344   8.5143  102.977   10.494 3.367401 13.51377 
1 1 1  -10   13   67 o   58.577   9.6588   25.687   7.4884   26.660   9.9717   24.428   11.340   60.151   12.635   57.002   14.612 3.149014 19.31751 
1 1 1  -10   13   68 o  114.187   5.5880   90.595   8.5978   87.632   12.729   93.080   11.659  112.314   8.3633  116.059   7.4133 -3.745193 11.17598 
1 1 1  -10   13   69 o  122.055   5.4049  103.090   8.9080  105.287   13.222  101.265   12.054  123.142   7.9236  120.969   7.3533 2.172318 10.80990 
1 1 1  -10   13   70 o   75.549   8.4996   38.010   8.0339   49.438   15.201   33.581   9.4636   82.199   13.647   68.898   10.136 13.30099 16.99928 
1 1 1  -10   13   71 o  157.069   6.4335  173.996   12.623  172.483   22.643  174.679   15.206  155.416   10.751  158.723   7.0695 -3.307312 12.86706 
1 1 1  -10   13   72 o   67.649   9.5051   32.877   7.9199   38.559   14.570   30.495   9.4355   70.067   15.731   65.231   10.674 4.835999 19.01025 
1 1 1  -10   13   73 o   78.551   9.1875   43.739   9.7799   0.0000   0.0000   43.739   9.7799  ?   ?    78.551   9.1875      ?      ? 
1 1 1  -10   13   74 o  102.322   8.1532   73.704   11.305   0.0000   0.0000   73.704   11.305  ?   ?   102.322   8.1532      ?      ? 
1 1 1  -10   13   75 o  118.119   8.2236  102.149   13.138   94.433   18.018  110.909   19.198  113.289   11.736  122.950   11.523 -9.661682 16.44713 
1 1 1  -10   13   76 o  112.715   8.4417   94.750   12.783  104.686   17.755   84.057   18.420  119.659   10.950  105.770   12.851 13.88871 16.88333 
1 1 1  -10   13   77 o   56.965   12.054   27.286   10.008   26.664   13.636   28.012   14.735   56.472   16.671   57.459   17.415 -0.9876022 24.10793 
1 1 1  -10   13   78 o  102.066   9.1473   79.561   12.527   83.140   16.905   75.203   18.656  105.539   11.820   98.593   13.963 6.945824 18.29451 
1 1 1  -10   13   79 o   45.670   11.752   13.778   9.7494   5.1781   12.576   26.732   15.434   35.948   15.141   55.391   17.978 -19.44331 23.50434 
1 1 1  -10   13   80 o   36.067   10.840   4.4259   9.0696   1.7865   11.640   8.5041   14.469   32.548   14.152   39.586   16.425 -7.038284 21.68056 
1 1 1  -10   13   81 o   43.880   16.221   15.119   12.768   15.119   12.768   0.0000   0.0000   43.880   16.221  ?   ?       ?      ? 
1 1 1  -10   13   82 o   35.480   15.528   3.1480   14.215   0.0000   0.0000   3.1480   14.215  ?   ?    35.480   15.528      ?      ? 
1 1 1  -10   13   83 o   42.545   15.918   14.452   12.368   14.452   12.368   0.0000   0.0000   42.545   15.918  ?   ?       ?      ? 
1 1 1  -10   13   84 f   51.110   16.783   23.725   13.436   23.725   13.436   0.0000   0.0000   51.110   16.783  ?   ?       ?      ? 
1 1 1  -10   13   85 o   47.935   16.475   20.951   12.935   20.951   12.935   0.0000   0.0000   47.935   16.475  ?   ?       ?      ? 
1 1 1  -10   13   86 o   25.653   12.124  -7.6016   11.099  -7.6016   11.099   0.0000   0.0000   25.653   12.124  ?   ?       ?      ? 
1 1 1  -10   13   87 o   29.177   13.312  -1.2538   11.676  -1.2538   11.676   0.0000   0.0000   29.177   13.312  ?   ?       ?      ? 
1 1 1  -10   14    1 o  253.425   6.1483  432.793   19.217  427.449   22.788  445.951   35.757  250.915   6.7019  255.935   10.310 -5.019958 12.29662 
1 1 1  -10   14    2 o  183.783   4.6984  228.470   11.670  218.592   15.813  240.283   17.292  179.444   6.5030  188.121   6.7831 -8.676727 9.396784 
1 1 1  -10   14    3 o  338.265   5.3068  777.417   24.308  816.431   34.516  739.027   34.238  346.705   7.3464  329.826   7.6603 16.87900 10.61363 
1 1 1  -10   14    4 o  272.948   4.9459  506.412   18.263  541.136   25.855  471.833   25.801  282.315   6.7581  263.580   7.2233 18.73514 9.891826 
1 1 1  -10   14    5 o  177.143   4.7272  213.202   11.321  215.479   15.530  210.620   16.537  178.166   6.4324  176.120   6.9290 2.046310 9.454478 
1 1 1  -10   14    6 o  263.809   4.8989  472.600   17.497  473.423   24.239  471.704   25.283  264.061   6.7737  263.556   7.0791 0.5046082 9.797778 
1 1 1  -10   14    7 o  327.055   5.2386  726.303   23.204  719.949   32.209  733.159   33.459  325.580   7.3002  328.530   7.5154 -2.950012 10.47730 
1 1 1  -10   14    8 o  189.246   4.7176  244.011   12.055  259.802   16.752  227.046   17.363  195.640   6.3186  182.853   7.0070 12.78641 9.435156 
1 1 1  -10   14    9 o  255.449   4.9537  443.341   17.112  446.674   23.502  439.580   24.965  256.491   6.7617  254.408   7.2414 2.083588 9.907450 
1 1 1  -10   14   10 f  358.302   7.4577  873.912   36.190  864.785   50.237  883.759   52.179  356.382   10.402  360.221   10.689 -3.839355 14.91531 
1 1 1  -10   14   11 o  186.467   5.4835  234.672   13.558  243.672   21.709  228.917   17.360  189.330   8.4614  183.604   6.9772 5.726288 10.96704 
1 1 1  -10   14   12 o  542.299   7.9890  2005.42   51.162  2006.56   59.295  2002.08  101.216  543.380   8.0525  541.218   13.800 2.161926 15.97801 
1 1 1  -10   14   13 o  365.273   6.2907  919.748   27.407  933.965   32.052  881.087   52.856  370.920   6.3766  359.626   10.846 11.29315 12.58143 
1 1 1  -10   14   14 o  319.208   5.8076  670.461   21.897  648.697   25.181  737.965   44.348  309.156   6.0106  329.260   9.9391 -20.10416 11.61524 
1 1 1  -10   14   15 f  367.438   6.2783  921.256   27.407  924.586   31.885  911.833   53.629  369.045   6.3756  365.831   10.818 3.213898 12.55668 
1 1 1  -10   14   16 o   54.725   9.7475   21.492   7.6528   31.131   10.592   10.967   11.069   66.520   12.200   42.930   15.206 23.59028 19.49502 
1 1 1  -10   14   17 f  229.376   5.8059  357.072   17.446  355.371   21.995  359.958   28.650  228.736   7.0958  230.017   9.1914 -1.281479 11.61174 
1 1 1  -10   14   18 o  126.475   6.0992  103.897   10.214   82.108   12.989  139.197   16.532  109.876   8.7233  143.074   8.5268 -33.19781 12.19844 
1 1 1  -10   14   19 o  222.283   5.3533  340.606   14.378  346.722   16.952  324.930   27.142  226.038   5.5342  218.528   9.1653 7.510162 10.70656 
1 1 1  -10   14   20 o  218.147   5.3042  321.190   13.958  318.623   16.332  328.145   26.884  216.681   5.5619  219.612   9.0334 -2.931488 10.60833 
1 1 1  -10   14   21 o  182.492   5.1647  217.714   11.474  207.574   13.386  245.805   22.279  174.885   5.6481  190.099   8.6485 -15.21429 10.32949 
1 1 1  -10   14   22 o  288.536   5.7198  573.883   19.795  583.235   23.228  549.075   37.833  293.126   5.8475  283.946   9.8322 9.180115 11.43969 
1 1 1  -10   14   23 o  234.203   5.4110  371.845   15.149  370.751   17.654  374.900   29.501  233.724   5.5738  234.682   9.2763 -0.9585419 10.82210 
1 1 1  -10   14   24 o  182.359   5.5507  225.705   13.717  225.705   13.717   0.0000   0.0000  182.359   5.5507  ?   ?       ?      ? 
1 1 1  -10   14   25 o  119.260   6.1146   96.571   9.8820   96.571   9.8820   0.0000   0.0000  119.260   6.1146  ?   ?       ?      ? 
1 1 1  -10   14   26 o  155.501   5.1505  150.385   9.8673  133.364   11.478  198.573   19.314  140.149   6.0438  170.853   8.3417 -30.70367 10.30106 
1 1 1  -10   14   27 o  156.904   5.2402  161.438   10.173  153.497   11.993  181.805   19.207  150.361   5.8857  163.447   8.6715 -13.08566 10.48033 
1 1 1  -10   14   28 o  289.303   5.6376  557.433   19.532  544.508   22.677  594.577   38.443  283.188   5.9091  295.418   9.6027 -12.23038 11.27514 
1 1 1  -10   14   29 o  128.363   5.6100  112.973   8.9720  114.403   10.787  109.763   16.162  129.791   6.1329  126.936   9.3955 2.854965 11.21996 
1 1 1  -10   14   30 o  275.927   5.5567  503.109   18.376  487.115   21.304  549.597   36.321  267.839   5.8696  284.016   9.4369 -16.17706 11.11341 
1 1 1  -10   14   31 o  175.994   5.4593  217.792   11.743  228.223   14.065  193.786   21.337  183.341   5.6610  168.647   9.3363 14.69356 10.91852 
1 1 1  -10   14   32 o  144.613   5.3681  137.975   9.6876  131.756   11.505  153.124   17.958  139.278   6.0958  149.947   8.8377 -10.66913 10.73612 
1 1 1  -10   14   33 o  291.091   5.7485  582.218   20.203  589.084   23.772  564.364   38.336  294.507   5.9565  287.673   9.8338 6.833862 11.49709 
1 1 1  -10   14   34 o  155.733   5.3115  158.339   10.336  148.739   12.250  182.056   19.255  147.972   6.1092  163.494   8.6906 -15.52209 10.62306 
1 1 1  -10   14   35 o  294.273   5.7544  583.651   20.415  576.822   23.859  602.313   39.443  291.398   6.0421  297.148   9.7953 -5.749786 11.50886 
1 1 1  -10   14   36 o   55.738   9.7666   22.430   7.3767   25.597   9.9906   18.633   10.938   60.011   12.682   51.465   14.856 8.545433 19.53325 
1 1 1  -10   14   37 o  200.289   6.6861  273.666   18.083  272.926   26.699  274.293   24.579  199.983   9.8519  200.596   9.0418 -0.6132050 13.37219 
1 1 1  -10   14   38 o  122.354   6.1901   99.775   10.086   90.751   12.900  113.967   16.177  115.434   8.2464  129.275   9.2341 -13.84109 12.38023 
1 1 1  -10   14   39 o  110.016   6.4399   80.482   9.4587   71.075   12.165   94.864   15.042  102.113   8.7911  117.919   9.4130 -15.80562 12.87976 
1 1 1  -10   14   40 o  105.089   5.8962   75.526   8.3129   73.108   12.568   77.406   11.084  103.543   8.9570  106.634   7.6702 -3.090561 11.79235 
1 1 1  -10   14   41 o  170.728   5.0606  195.657   11.629  226.223   17.661  172.262   15.452  182.342   7.1474  159.114   7.1661 23.22830 10.12119 
1 1 1  -10   14   42 o  168.218   5.0913  194.137   11.504  176.683   16.926  209.124   15.684  161.075   7.7542  175.361   6.5999 -14.28636 10.18261 
1 1 1  -10   14   43 o   84.286   8.6830   50.773   9.2415   55.035   11.833   44.108   14.798   89.759   9.7280   78.813   14.386 10.94609 17.36603 
1 1 1  -10   14   44 o   87.454   7.9646   52.355   9.1531   52.201   11.602   52.610   14.896   87.402   9.7954   87.506   12.561 -0.1037903 15.92922 
1 1 1  -10   14   45 o  114.073   5.6112   89.063   8.5658   86.110   13.073   91.284   11.339  112.354   8.5866  115.793   7.2260 -3.439575 11.22248 
1 1 1  -10   14   46 o   85.915   6.7174   51.670   7.5861   44.393   11.754   56.865   9.9314   80.499   10.775   91.331   8.0243 -10.83227 13.43478 
1 1 1  -10   14   47 o  176.876   5.0205  213.772   11.958  205.814   17.749  220.386   16.181  173.796   7.5360  179.957   6.6354 -6.160645 10.04091 
1 1 1  -10   14   48 o  165.439   6.2852  181.619   12.743  199.583   24.312  174.815   14.963  170.649   10.513  160.230   6.8910 10.41911 12.57043 
1 1 1  -10   14   49 o   69.648   10.314   31.323   8.2081   41.990   17.396   28.267   9.3096   76.056   17.272   63.239   11.277 12.81725 20.62776 
1 1 1  -10   14   50 o  234.895   6.3187  387.000   18.457  352.115   32.735  403.261   22.349  226.478   10.666  243.313   6.7781 -16.83490 12.63743 
1 1 1  -10   14   51 o   77.567   7.2566   40.976   7.4846   42.925   11.900   39.700   9.6272   78.996   11.116   76.139   9.3305 2.856476 14.51316 
1 1 1  -10   14   52 o   92.020   6.5459   58.386   8.0193   55.939   12.419   60.135   10.502   90.253   10.155   93.788   8.2633 -3.535301 13.09182 
1 1 1  -10   14   53 o  123.684   5.7137  105.909   9.3810   97.331   14.471  112.127   12.321  119.180   8.9599  128.187   7.0927 -9.006226 11.42742 
1 1 1  -10   14   54 o   90.553   7.7309   54.142   8.5538   62.260   16.543   51.179   9.9934   94.672   12.895   86.434   8.5319 8.237526 15.46180 
1 1 1  -10   14   55 o  160.933   5.1292  178.839   11.067  157.365   16.173  197.748   15.177  151.632   7.8710  170.235   6.5790 -18.60323 10.25846 
1 1 1  -10   14   56 o  216.319   4.9608  320.567   14.501  307.173   21.035  332.695   20.016  211.919   7.3249  220.718   6.6922 -8.799118 9.921620 
1 1 1  -10   14   57 o   97.922   6.2765   66.316   8.1847   63.806   12.676   68.111   10.718   96.178   9.7260   99.665   7.9361 -3.486412 12.55294 
1 1 1  -10   14   58 o  104.722   5.9872   75.138   8.4377   77.627   12.790   73.220   11.227  106.174   8.8893  103.270   8.0228 2.903915 11.97434 
1 1 1  -10   14   59 o   62.991   10.290   28.394   8.4569   25.138   10.799   33.558   13.599   58.560   13.829   67.421   15.242 -8.860928 20.58072 
1 1 1  -10   14   60 o  112.890   6.9617   89.413   10.270   92.634   13.060   84.193   16.625  115.958   8.3109  109.822   11.171 6.136429 13.92339 
1 1 1  -10   14   61 o   95.176   6.2347   63.730   7.8751   55.617   11.913   70.026   10.495   89.470   9.8260  100.882   7.6770 -11.41162 12.46941 
1 1 1  -10   14   62 o   46.993   9.6002   15.953   6.3884   17.517   9.9172   14.844   8.3523   48.846   14.159   45.141   12.968 3.705051 19.20049 
1 1 1  -10   14   63 o   41.416   9.6209   11.997   6.2170   11.374   9.5085   12.461   8.2167   41.061   14.124   41.771   13.067 -0.7095757 19.24183 
1 1 1  -10   14   64 o   63.470   9.0601   28.200   7.7196   14.933   10.108   46.764   11.957   45.463   14.528   81.477   10.830 -36.01413 18.12012 
1 1 1  -10   14   65 o   34.584   9.8180   4.9868   7.0264   5.5958   9.7948   4.3411   10.085   34.988   13.874   34.179   13.896 0.8090744 19.63591 
1 1 1  -10   14   66 o   67.775   9.8230   34.470   7.9633   33.074   15.191   34.999   9.3512   65.011   17.037   70.539   9.7827 -5.527702 19.64592 
1 1 1  -10   14   67 o   73.193   10.491   42.450   10.256   23.019   14.806   60.371   14.219   54.547   17.599   91.839   11.425 -37.29218 20.98204 
1 1 1  -10   14   68 o   98.832   7.6284   68.656   9.2913   72.567   17.303   67.072   11.014   99.736   12.802   97.928   8.2995 1.807968 15.25688 
1 1 1  -10   14   69 o   35.869   10.069   6.6114   6.7222   5.2184   13.167   7.1025   7.8178   37.646   15.648   34.092   12.675 3.554203 20.13746 
1 1 1  -10   14   70 o   65.052   9.6919   39.708   8.1279   13.971   15.074   50.257   9.6509   45.600   17.456   84.504   8.4277 -38.90408 19.38377 
1 1 1  -10   14   71 o   82.891   9.0183   48.761   10.130   0.0000   0.0000   48.761   10.130  ?   ?    82.891   9.0183      ?      ? 
1 1 1  -10   14   72 o   49.015   10.711   16.462   7.3007   27.044   13.741   12.299   8.6177   57.391   16.676   40.640   13.445 16.75137 21.42115 
1 1 1  -10   14   73 f   80.024   10.515   50.783   11.000   63.013   15.564   38.578   15.548   91.862   12.503   68.187   16.909 23.67534 21.02939 
1 1 1  -10   14   74 o   31.965   10.011  -1.2738   8.7501   3.3390   12.065  -6.3923   12.709   34.453   14.684   29.477   13.610 4.975395 20.02139 
1 1 1  -10   14   75 o   39.705   11.105   8.4840   9.0211   2.7085   12.022   15.926   13.647   33.846   14.548   45.564   16.784 -11.71753 22.21098 
1 1 1  -10   14   76 o   65.359   11.485   36.985   10.411   45.390   13.944   26.400   15.648   75.614   14.128   55.104   18.113 20.50981 22.97093 
1 1 1  -10   14   78 o   54.334   12.325   25.596   10.430   20.140   14.430   31.565   15.093   48.843   17.355   59.826   17.504 -10.98359 24.64929 
1 1 1  -10   14   79 o   37.136   10.781   7.2802   8.9329   11.665   11.839   1.4842   13.611   40.213   15.451   34.059   15.040 6.153900 21.56260 
1 1 1  -10   14   80 o   39.125   11.153   10.087   9.1149   11.554   12.102   8.1643   13.856   39.969   15.549   38.281   15.994 1.687489 22.30626 
1 1 1  -10   14   81 o   54.731   16.524   26.861   13.284   26.861   13.284   0.0000   0.0000   54.731   16.524  ?   ?       ?      ? 
1 1 1  -10   14   82 o   68.200   15.852   40.916   14.372   40.916   14.372   0.0000   0.0000   68.200   15.852  ?   ?       ?      ? 
1 1 1  -10   14   83 o   24.697   11.835 -10.8732   11.349 -10.8732   11.349   0.0000   0.0000   24.697   11.835  ?   ?       ?      ? 
1 1 1  -10   14   84 o   51.349   16.677   25.362   13.281   25.362   13.281   0.0000   0.0000   51.349   16.677  ?   ?       ?      ? 
1 1 1  -10   14   85 o   30.044   13.634  -0.0432   12.038  -0.0432   12.038   0.0000   0.0000   30.044   13.634  ?   ?       ?      ? 
1 1 1  -10   15    1 o  147.387   5.6249  147.669   11.048  147.981   17.275  147.454   14.372  147.470   8.6442  147.303   7.1997 0.1672668 11.24979 
1 1 1  -10   15    2 o  254.353   5.7791  440.580   19.332  437.663   31.322  442.375   24.570  253.555   9.1159  255.151   7.1059 -1.596298 11.55826 
1 1 1  -10   15    3 f   86.563   6.1233   50.613   7.1460   47.513   9.5364   54.583   10.791   83.572   8.4206   89.554   8.8922 -5.982025 12.24656 
1 1 1  -10   15    4 o  266.502   5.9328  482.402   20.235  480.888   24.810  485.409   34.969  266.051   6.8814  266.952   9.6665 -0.9009705 11.86570 
1 1 1  -10   15    5 o  294.454   6.9380  587.976   27.608  555.594   37.385  626.818   40.945  285.602   9.6595  303.306   9.9618 -17.70389 13.87605 
1 1 1  -10   15    6 o  246.510   5.7159  413.493   18.535  412.285   30.042  414.235   23.552  246.110   9.0078  246.911   7.0389 -0.8008728 11.43178 
1 1 1  -10   15    7 o   83.881   6.1113   47.419   6.9107   41.691   9.2982   54.487   10.329   78.271   8.7662   89.491   8.5175 -11.21942 12.22266 
1 1 1  -10   15    8 o  267.816   4.9537  487.819   17.953  516.922   25.371  458.629   25.409  275.848   6.7870  259.785   7.2174 16.06281 9.907316 
1 1 1  -10   15    9 o  139.278   4.9529  131.092   9.3200  122.729   12.598  141.203   13.852  134.402   6.9169  144.153   7.0911 -9.751053 9.905876 
1 1 1  -10   15   10 o  206.004   4.7760  288.514   13.314  292.806   18.420  283.819   19.265  207.626   6.5467  204.383   6.9557 3.243118 9.552038 
1 1 1  -10   15   11 o  140.611   5.0736  134.171   9.6607  128.742   13.370  140.102   13.975  137.639   7.1681  143.583   7.1822 -5.943420 10.14716 
1 1 1  -10   15   12 o  139.876   6.0422  128.800   11.204  113.588   14.165  154.229   18.314  129.232   8.0883  150.520   8.9785 -21.28853 12.08446 
1 1 1  -10   15   13 o  373.057   6.8261  943.177   32.816  932.329   40.455  964.049   56.115  370.242   8.0631  375.873   11.017 -5.630432 13.65229 
1 1 1  -10   15   14 f  272.478   5.6961  513.140   18.492  522.502   21.629  487.711   35.647  277.424   5.7533  267.530   9.8326 9.894043 11.39215 
1 1 1  -10   15   15 o  224.887   5.3752  339.410   14.422  334.596   16.744  353.246   28.388  222.016   5.5653  227.758   9.1978 -5.741959 10.75040 
1 1 1  -10   15   16 o  181.833   5.2884  221.029   11.609  216.671   13.552  233.043   22.500  178.655   5.5974  185.010   8.9743 -6.354538 10.57687 
1 1 1  -10   15   17 o  352.920   6.2350  857.533   26.178  868.344   30.551  827.667   50.778  357.558   6.3051  348.283   10.759 9.275269 12.47008 
1 1 1  -10   15   18 o  136.752   5.6296  128.823   9.3365  130.908   11.028  123.548   17.541  138.851   5.8612  134.652   9.6132 4.198883 11.25910 
1 1 1  -10   15   19 o  163.896   5.3259  179.612   10.616  175.889   12.446  189.550   20.335  160.955   5.7061  166.838   8.9945 -5.883514 10.65178 
1 1 1  -10   15   20 f  220.793   5.6615  330.979   16.939  330.979   16.939   0.0000   0.0000  220.793   5.6615  ?   ?       ?      ? 
1 1 1  -10   15   21 o  435.520   7.0302  1289.25   41.492  1289.25   41.492   0.0000   0.0000  435.520   7.0302  ?   ?       ?      ? 
1 1 1  -10   15   22 o   90.666   6.6912   54.975   7.4367   53.618   8.7574   58.484   14.082   88.804   7.2771   92.528   11.231 -3.723526 13.38237 
1 1 1  -10   15   23 o   91.605   6.1398   52.527   7.1152   45.297   8.4342   70.373   13.251   81.607   7.6266  101.603   9.6241 -19.99581 12.27964 
1 1 1  -10   15   24 o  170.045   5.4174  198.202   11.209  200.174   13.247  193.229   21.036  171.695   5.6934  168.394   9.2184 3.300323 10.83483 
1 1 1  -10   15   25 o  211.094   5.6547  300.769   15.384  295.382   18.938  311.221   26.380  208.474   6.7036  213.715   9.1086 -5.240829 11.30950 
1 1 1  -10   15   26 f   82.023   7.3604   47.008   7.7950   49.896   9.8290   42.113   12.797   85.601   8.4732   78.445   12.038 7.156319 14.72084 
1 1 1  -10   15   27 o  206.768   5.6237  285.596   15.045  273.676   18.507  308.820   25.832  200.648   6.8065  212.889   8.9541 -12.24091 11.24740 
1 1 1  -10   15   28 o  169.374   5.6592  190.103   12.461  178.069   15.358  213.289   21.318  161.828   7.0034  176.921   8.8916 -15.09261 11.31849 
1 1 1  -10   15   29 f  197.202   5.6731  258.673   14.490  245.183   17.812  285.068   24.916  189.893   6.9219  204.511   8.9903 -14.61798 11.34629 
1 1 1  -10   15   30 o   96.827   7.0555   66.296   8.8092   73.102   11.243   55.476   14.176  103.622   8.0069   90.033   11.619 13.58927 14.11095 
1 1 1  -10   15   31 o  189.036   5.5012  246.011   12.812  250.043   15.293  236.520   23.464  191.849   5.8822  186.223   9.2980 5.625610 11.00242 
1 1 1  -10   15   32 o  197.740   5.3982  258.690   13.086  249.226   15.370  283.629   24.950  191.527   5.9218  203.953   9.0274 -12.42581 10.79643 
1 1 1  -10   15   33 o  178.510   5.9414  218.513   14.056  224.183   18.213  210.160   22.105  181.503   7.4048  175.517   9.2936 5.986725 11.88285 
1 1 1  -10   15   34 o  196.951   5.9496  257.660   15.528  234.798   19.654  295.635   25.330  185.696   7.8101  208.205   8.9775 -22.50925 11.89928 
1 1 1  -10   15   35 o  252.109   5.8521  450.689   17.975  476.496   21.548  391.638   32.595  264.794   6.0051  239.423   10.046 25.37102 11.70424 
1 1 1  -10   15   36 o  224.346   5.5241  334.960   15.177  324.989   17.839  361.085   28.876  218.673   6.0200  230.019   9.2639 -11.34547 11.04815 
1 1 1  -10   15   37 o  108.406   6.5852   82.870   8.9774   88.043   11.034   72.740   15.441  113.740   7.1587  103.071   11.055 10.66956 13.17037 
1 1 1  -10   15   38 o  224.900   5.7077  354.227   15.743  368.348   18.858  321.750   28.599  232.792   5.9778  217.008   9.7250 15.78365 11.41533 
1 1 1  -10   15   39 o  327.363   6.1204  729.861   24.153  728.431   28.297  733.699   46.355  327.278   6.3804  327.448   10.446 -0.1697083 12.24079 
1 1 1  -10   15   40 o   71.617   10.120   35.086   9.8211   35.086   9.8211   0.0000   0.0000   71.617   10.120  ?   ?       ?      ? 
1 1 1  -10   15   41 o  168.547   6.2529  193.214   14.282  193.214   14.282   0.0000   0.0000  168.547   6.2529  ?   ?       ?      ? 
1 1 1  -10   15   42 o  233.791   5.7710  384.376   16.601  402.202   19.969  344.483   29.872  243.189   6.0593  224.392   9.8237 18.79707 11.54210 
1 1 1  -10   15   43 o   86.546   8.0213   51.191   9.3842   47.794   12.745   55.214   13.868   83.432   11.273   89.660   11.414 -6.228188 16.04252 
1 1 1  -10   15   44 o  138.358   7.5592  133.116   13.936  119.246   21.033  143.970   18.607  131.661   11.788  145.055   9.4656 -13.39459 15.11840 
1 1 1  -10   15   45 o  203.728   6.1727  279.343   15.553  294.397   28.937  273.227   18.443  207.178   10.307  200.277   6.7955 6.901108 12.34545 
1 1 1  -10   15   46 o  160.477   5.1460  177.318   11.077  158.950   16.296  193.096   15.103  152.587   7.8808  168.366   6.6196 -15.77910 10.29205 
1 1 1  -10   15   47 o  105.521   6.1027   77.513   8.5420   68.069   12.991   84.706   11.337   99.636   9.6216  111.405   7.5097 -11.76894 12.20534 
1 1 1  -10   15   48 o  219.236   5.0055  328.690   14.831  313.673   21.447  342.453   20.532  214.359   7.3832  224.112   6.7607 -9.752792 10.01095 
1 1 1  -10   15   49 o  122.903   5.5934  104.663   9.1673   93.676   13.797  113.348   12.267  116.932   8.7069  128.873   7.0239 -11.94119 11.18682 
1 1 1  -10   15   50 o   48.180   8.2808   17.682   6.5142  -0.5238   10.581   28.794   8.2664   31.620   13.620   64.740   9.4224 -33.12016 16.56153 
1 1 1  -10   15   51 o  101.771   7.2967   70.105   9.0754   74.549   17.242   68.402   10.673  103.588   12.283   99.955   7.8798 3.632576 14.59337 
1 1 1  -10   15   52 o   87.619   6.9313   55.941   7.7543   39.457   11.864   68.235   10.246   75.400   11.611   99.838   7.5729 -24.43792 13.86250 
1 1 1  -10   15   53 o   87.610   6.7018   54.006   7.7374   47.286   11.975   58.821   10.138   82.630   10.695   92.590   8.0796 -9.959541 13.40355 
1 1 1  -10   15   54 o  102.185   6.1046   72.242   8.3354   69.282   12.751   74.451   11.015  100.204   9.3902  104.166   7.8030 -3.961716 12.20917 
1 1 1  -10   15   55 f  105.398   6.1263   78.717   8.4783   64.718   12.930   89.276   11.229   96.682   9.8688  114.114   7.2617 -17.43203 12.25256 
1 1 1  -10   15   56 o   85.103   8.0979   48.589   9.1489   39.525   11.660   63.107   14.757   75.195   11.443   95.010   11.462 -19.81509 16.19577 
1 1 1  -10   15   57 o   90.173   7.8030   56.133   9.3417   53.443   11.945   60.369   14.990   87.662   10.055   92.684   11.935 -5.021194 15.60609 
1 1 1  -10   15   58 o  127.887   5.4633  113.918   9.3338  103.652   14.035  122.058   12.498  122.455   8.4578  133.320   6.9178 -10.86540 10.92661 
1 1 1  -10   15   59 o   86.725   6.4853   51.182   7.5360   60.032   11.779   45.050   9.8054   92.895   9.3569   80.555   8.9824 12.34000 12.97054 
1 1 1  -10   15   60 o   47.421   10.263   15.527   7.5642   8.5043   10.259   23.894   11.198   38.438   14.474   56.403   14.553 -17.96495 20.52542 
1 1 1  -10   15   61 o  122.577   6.4820  104.716   10.617  104.023   13.895  105.689   16.459  122.384   8.3780  122.771   9.8931 -0.3868179 12.96397 
1 1 1  -10   15   62 o   75.668   7.6035   42.210   7.3217   33.920   11.097   48.600   9.7433   67.828   12.535   83.509   8.6098 -15.68053 15.20703 
1 1 1  -10   15   63 o   52.602   8.9128   19.686   6.3826   29.672   9.9550   12.716   8.3170   63.412   12.025   41.792   13.159 21.61958 17.82553 
1 1 1  -10   15   64 o   97.531   6.2382   68.139   8.0505   55.872   11.938   78.370   10.903   88.872   9.9125  106.190   7.5765 -17.31776 12.47642 
1 1 1  -10   15   65 o   72.141   9.3435   36.932   7.9380   43.104   15.578   34.767   9.2255   74.229   15.961   70.052   9.7182 4.177223 18.68690 
1 1 1  -10   15   66 o   56.228   10.395   22.468   7.2988   30.425   14.240   19.633   8.5002   61.573   16.661   50.883   12.433 10.68965 20.78918 
1 1 1  -10   15   67 o   64.350   9.8441   33.323   7.7930   27.117   14.427   35.880   9.2602   57.738   17.173   70.962   9.6297 -13.22335 19.68822 
1 1 1  -10   15   68 o   54.906   12.414   23.021   9.0195   0.0000   0.0000   23.021   9.0195  ?   ?    54.906   12.414      ?      ? 
1 1 1  -10   15   69 o   69.819   9.8402   35.031   9.3102   0.0000   0.0000   35.031   9.3102  ?   ?    69.819   9.8402      ?      ? 
1 1 1  -10   15   70 o   36.004   10.634   4.9316   8.7010   7.2223   12.273   2.6170   12.337   37.671   15.323   34.336   14.747 3.334541 21.26705 
1 1 1  -10   15   71 o   36.819   10.760   5.6606   8.9102   10.153   12.421   0.8976   12.789   40.058   15.706   33.580   14.711 6.477680 21.51954 
1 1 1  -10   15   72 o   38.065   11.005   7.6133   8.9876   8.0453   12.103   7.0820   13.420   37.928   15.292   38.203   15.832 -0.2746696 22.01101 
1 1 1  -10   15   74 o   81.027   10.372   52.216   11.120   46.431   15.252   58.781   16.247   75.170   15.488   86.885   13.799 -11.71515 20.74354 
1 1 1  -10   15   75 o   37.276   10.898   6.5782   9.0007   2.7510   12.102   11.315   13.464   33.590   14.517   40.963   16.259 -7.372768 21.79670 
1 1 1  -10   15   76 o   41.880   11.473   12.796   9.2155   11.859   12.204   14.040   14.057   40.578   15.662   43.182   16.769 -2.603466 22.94550 
1 1 1  -10   15   77 o   41.983   11.392   13.238   9.0665   11.021   12.189   15.984   13.565   39.581   15.546   44.384   16.658 -4.803341 22.78480 
1 1 1  -10   15   78 o   42.178   11.192   12.452   8.9659   5.0503   11.843   22.391   13.723   34.364   14.595   49.993   16.972 -15.62914 22.38473 
1 1 1  -10   15   79 o   46.898   16.190   19.461   12.499   19.461   12.499   0.0000   0.0000   46.898   16.190  ?   ?       ?      ? 
1 1 1  -10   15   80 o   44.998   16.354   18.068   12.895   18.068   12.895   0.0000   0.0000   44.998   16.354  ?   ?       ?      ? 
1 1 1  -10   15   81 o   34.292   14.797   5.5123   12.534   5.5123   12.534   0.0000   0.0000   34.292   14.797  ?   ?       ?      ? 
1 1 1  -10   15   82 o   50.739   16.807   25.388   13.464   25.388   13.464   0.0000   0.0000   50.739   16.807  ?   ?       ?      ? 
1 1 1  -10   15   83 o   45.714   16.302   20.681   12.744   20.681   12.744   0.0000   0.0000   45.714   16.302  ?   ?       ?      ? 
1 1 1  -10   16    1 o  110.882   6.3250   82.823   9.4266   91.067   14.497   76.784   12.408  115.586   9.2550  106.177   8.6237 9.409142 12.65003 
1 1 1  -10   16    2 o  130.592   5.2290  114.610   9.1966  103.100   12.218  129.652   13.968  123.124   7.3230  138.061   7.4661 -14.93690 10.45795 
1 1 1  -10   16    3 o  180.075   4.8875  220.657   11.896  223.582   16.307  217.330   17.391  181.375   6.6348  178.775   7.1784 2.600525 9.774976 
1 1 1  -10   16    4 f  141.318   5.1046  136.428   9.7147  142.532   13.210  129.241   14.336  144.809   6.7319  137.827   7.6754 6.981857 10.20929 
1 1 1  -10   16    5 o  171.735   4.9498  201.157   11.481  211.633   15.883  189.696   16.613  176.462   6.6420  167.009   7.3407 9.452301 9.899599 
1 1 1  -10   16    6 o  136.386   6.6678  122.781   11.588  138.588   20.717  115.584   13.979  142.447   10.732  130.325   7.9153 12.12228 13.33557 
1 1 1  -10   16    7 o  171.780   6.4647  207.356   14.000  183.231   24.024  219.760   17.227  163.779   10.824  179.781   7.0711 -16.00172 12.92933 
1 1 1  -10   16    8 o  132.465   5.2198  119.558   9.3377  122.202   12.771  116.521   13.687  134.065   7.0297  130.865   7.7180 3.200012 10.43954 
1 1 1  -10   16    9 o  114.266   5.4847   89.490   8.4133   94.740   11.366   83.126   12.514  118.039   7.1054  110.493   8.3572 7.545746 10.96949 
1 1 1  -10   16   10 o   80.781   6.7100   45.926   7.1086   53.640   9.5161   36.187   10.693   88.780   7.9096   72.781   10.841 15.99974 13.42001 
1 1 1  -10   16   11 o   88.666   6.2158   53.291   7.4209   51.332   9.8753   55.832   11.248   86.825   8.3932   90.507   9.1705 -3.682381 12.43152 
1 1 1  -10   16   12 o  133.992   5.6712  121.160   9.0561  120.025   10.520  124.409   17.795  132.933   5.8400  135.051   9.7234 -2.117538 11.34240 
1 1 1  -10   16   13 f  194.280   5.4448  256.131   12.635  255.352   14.720  258.311   24.632  193.913   5.6016  194.647   9.3384 -0.7339478 10.88955 
1 1 1  -10   16   14 o  287.778   5.7497  549.429   19.502  535.290   22.437  593.119   39.441  280.721   5.8981  294.835   9.8715 -14.11328 11.49933 
1 1 1  -10   16   15 o  219.107   5.6281  326.033   16.711  326.033   16.711   0.0000   0.0000  219.107   5.6281  ?   ?       ?      ? 
1 1 1  -10   16   16 o   85.677   7.4850   49.940   8.6903   49.940   8.6903   0.0000   0.0000   85.677   7.4850  ?   ?       ?      ? 
1 1 1  -10   16   17 o  333.205   6.2190  754.419   28.081  754.419   28.081   0.0000   0.0000  333.205   6.2190  ?   ?       ?      ? 
1 1 1  -10   16   18 o  109.423   6.0215   77.182   8.1625   71.392   9.5871   92.438   15.562  102.466   6.9044  116.381   9.8673 -13.91489 12.04301 
1 1 1  -10   16   19 o  207.698   5.4853  294.571   13.658  295.681   15.972  291.550   26.348  208.648   5.6489  206.748   9.4044 1.900467 10.97055 
1 1 1  -10   16   20 o  202.262   5.4981  278.068   13.313  277.614   15.534  279.323   25.836  202.169   5.6699  202.356   9.4217 -0.1875916 10.99624 
1 1 1  -10   16   21 o  196.870   5.4150  257.001   12.802  249.495   14.868  278.522   25.177  191.650   5.7248  202.091   9.1933 -10.44125 10.83008 
1 1 1  -10   16   22 f  113.769   6.1293   88.385   8.5126   88.611   10.063   87.814   15.963  114.171   6.5040  113.367   10.391 0.8034363 12.25851 
1 1 1  -10   16   23 o  174.193   5.5505  206.430   11.702  206.228   13.744  206.963   22.308  174.228   5.8213  174.159   9.4522 0.6910706E-01 11.10093 
1 1 1  -10   16   24 o  256.264   5.6711  447.619   17.457  448.048   20.424  446.457   33.635  256.796   5.8690  255.732   9.7058 1.064667 11.34227 
1 1 1  -10   16   25 o  192.710   5.4772  244.312   12.951  233.504   15.195  273.007   24.759  185.365   6.0493  200.054   9.1327 -14.68936 10.95445 
1 1 1  -10   16   26 o  122.823   6.1853  106.703   9.3780  112.983   11.348   93.178   16.654  128.908   6.4963  116.738   10.527 12.17019 12.37052 
1 1 1  -10   16   27 o  102.448   6.3380   66.583   8.3118   57.524   9.9706   87.218   15.049   91.895   8.0066  113.001   9.8272 -21.10674 12.67595 
1 1 1  -10   16   28 o   72.110   7.9853   32.300   7.2344   23.691   8.7339   51.117   12.912   57.807   11.553   86.413   11.027 -28.60594 15.97062 
1 1 1  -10   16   29 o  172.471   6.1129  203.929   13.941  207.994   17.957  197.762   22.117  174.773   7.5819  170.169   9.5909 4.604385 12.22585 
1 1 1  -10   16   30 o  274.953   6.3009  521.401   22.646  538.347   28.752  493.707   36.756  281.172   7.5459  268.735   10.093 12.43661 12.60187 
1 1 1  -10   16   31 o  218.260   5.5810  324.912   14.845  325.350   17.524  323.799   27.938  218.786   5.9105  217.733   9.4687 1.053818 11.16196 
1 1 1  -10   16   32 o  109.789   6.5109   85.326   8.8743   90.540   10.792   74.438   15.595  115.345   6.9042  104.233   11.041 11.11127 13.02183 
1 1 1  -10   16   33 o  222.150   5.5970  336.987   15.150  337.812   17.886  334.891   28.500  222.919   5.9208  221.381   9.4999 1.537750 11.19395 
1 1 1  -10   16   34 o   94.890   7.7581   64.254   9.5458   74.499   12.532   50.096   14.733  104.462   8.8528   85.318   12.743 19.14401 15.51611 
1 1 1  -10   16   35 o   77.518   9.0840   43.633   8.9635   51.135   11.909   33.830   13.614   86.429   10.168   68.608   15.056 17.82092 18.16794 
1 1 1  -10   16   36 o  121.882   8.3790  101.383   13.839  101.383   13.839   0.0000   0.0000  121.882   8.3790  ?   ?       ?      ? 
1 1 1  -10   16   38 o   67.366   9.8494   32.432   8.6569   31.722   11.637   33.311   12.954   66.637   13.352   68.096   14.484 -1.459602 19.69887 
1 1 1  -10   16   39 o  179.225   5.5358  205.473   12.276  187.719   14.380  253.180   23.572  166.055   6.3903  192.395   9.0412 -26.33914 11.07160 
1 1 1  -10   16   40 o  105.452   6.7068   76.571   8.9161   77.290   10.818   75.048   15.743  106.441   7.5002  104.463   11.121 1.978439 13.41360 
1 1 1  -10   16   41 o  144.620   5.9078  142.717   10.667  142.313   12.798  143.635   19.304  144.534   6.5342  144.707   9.8443 -0.1735535 11.81554 
1 1 1  -10   16   42 o   90.305   7.4001   56.987   8.4791   58.838   10.416   53.350   14.599   92.759   8.2862   87.851   12.263 4.908173 14.80019 
1 1 1  -10   16   43 o   76.146   8.5284   42.585   8.0086   47.190   10.077   34.691   13.194   82.982   8.9613   69.309   14.513 13.67290 17.05687 
1 1 1  -10   16   44 o  151.290   5.9313  162.510   11.227  173.434   13.765  140.797   19.405  159.503   6.3681  143.077   10.008 16.42647 11.86260 
1 1 1  -10   16   45 f  166.187   5.6976  189.063   11.901  189.048   14.367  189.095   21.243  166.497   6.3675  165.877   9.4502 0.6203003 11.39526 
1 1 1  -10   16   46 o   33.860   9.4900   1.7179   6.7480  -4.1564   8.6830   10.676   10.723   25.954   11.697   41.765   14.948 -15.81175 18.98005 
1 1 1  -10   16   47 o  153.665   6.2046  159.090   12.747  144.196   16.472  181.329   20.128  144.963   8.3850  162.366   9.1478 -17.40327 12.40924 
1 1 1  -10   16   48 o   90.965   8.7148   61.130   9.8266   80.418   13.553   39.750   14.269  108.055   9.2554   73.876   14.769 34.17980 17.42958 
1 1 1  -10   16   49 o   80.157   7.0233   42.924   7.4953   55.513   11.860   34.554   9.6715   89.640   9.7636   70.674   10.098 18.96565 14.04654 
1 1 1  -10   16   50 o   33.871   9.3622   5.2635   6.1726   2.7169   10.144   6.7611   7.7786   33.336   13.785   34.407   12.671 -1.071190 18.72432 
1 1 1  -10   16   51 o   41.373   8.0456   11.429   6.1114  -6.4107   9.7982   22.789   7.8187   26.354   12.088   56.392   10.621 -30.03737 16.09126 
1 1 1  -10   16   52 o   54.454   8.2970   18.258   6.3917   38.553   10.614   6.7089   8.0063   74.399   10.527   34.509   12.827 39.89043 16.59406 
1 1 1  -10   16   53 o   56.689   10.540   23.679   8.1240   22.346   10.654   25.530   12.558   54.930   14.206   58.448   15.574 -3.517998 21.07981 
1 1 1  -10   16   54 o  102.725   7.3080   72.660   9.9748   68.594   12.756   79.056   16.002   99.327   9.4772  106.123   11.127 -6.795921 14.61596 
1 1 1  -10   16   55 o   74.128   7.2756   38.153   7.1940   40.215   11.329   36.760   9.3123   75.609   11.057   72.648   9.4592 2.961662 14.55120 
1 1 1  -10   16   56 o   63.447   9.7641   30.724   8.3003   37.687   11.077   21.809   12.534   73.060   11.188   53.835   16.005 19.22472 19.52820 
1 1 1  -10   16   57 o  104.330   7.1469   77.498   9.8546   82.012   12.855   71.065   15.346  108.533   8.7405  100.128   11.310 8.404343 14.29384 
1 1 1  -10   16   58 o  109.063   6.8557   83.637   9.9688   84.169   13.024   82.884   15.492  109.838   8.7497  108.288   10.557 1.550369 13.71143 
1 1 1  -10   16   59 o   98.482   6.2894   69.719   8.1470   55.844   12.182   80.946   10.958   88.915   10.110  108.049   7.4839 -19.13489 12.57880 
1 1 1  -10   16   60 o  117.363   5.6215   96.524   8.8267   91.974   13.404  100.008   11.729  114.619   8.6300  120.106   7.2060 -5.487389 11.24293 
1 1 1  -10   16   61 o   67.200   8.4733   36.718   7.0022   20.812   11.001   47.552   9.0789   51.918   14.873   82.481   8.1226 -30.56324 16.94670 
1 1 1  -10   16   62 o   78.163   9.6073   49.501   8.3591   38.481   16.212   53.492   9.7560   68.983   17.357   87.343   8.2425 -18.36024 19.21454 
1 1 1  -10   16   63 o   73.084   9.8658   48.210   8.4213   24.506   15.418   58.289   10.053   55.056   17.973   91.111   8.1425 -36.05497 19.73154 
1 1 1  -10   16   64 o   68.248   9.8608   42.011   8.1639   21.530   15.115   50.447   9.7006   51.954   17.811   84.542   8.4673 -32.58828 19.72151 
1 1 1  -10   16   65 o   28.422   11.927   2.0271   7.7568   0.0000   0.0000   2.0271   7.7568  ?   ?    28.422   11.927      ?      ? 
1 1 1  -10   16   66 o  109.034   7.7447   83.666   11.443   0.0000   0.0000   83.666   11.443  ?   ?   109.034   7.7447      ?      ? 
1 1 1  -10   16   67 o   48.210   11.063   16.335   9.4546   2.5349   13.165   31.031   13.586   35.063   15.147   61.358   16.127 -26.29531 22.12553 
1 1 1  -10   16   68 o   48.136   16.679   18.624   13.270   18.624   13.270   0.0000   0.0000   48.136   16.679  ?   ?       ?      ? 
1 1 1  -10   16   70 o   49.162   11.462   19.507   9.4698   28.200   13.156   10.160   13.642   57.870   16.158   40.454   16.261 17.41582 22.92385 
1 1 1  -10   16   71 o   41.545   11.273   12.031   9.0994   16.313   12.589   7.3477   13.167   45.236   16.196   37.854   15.684 7.382378 22.54546 
1 1 1  -10   16   72 o   39.752   11.108   9.2321   9.0277   3.3393   12.061   16.739   13.613   33.907   14.573   45.597   16.768 -11.69017 22.21513 
1 1 1  -10   16   73 o   41.678   11.258   12.123   9.0920   6.2366   12.478   18.785   13.275   36.149   15.146   47.207   16.660 -11.05862 22.51570 
1 1 1  -10   16   74 o   46.076   11.509   17.396   9.1850   11.655   12.668   23.760   13.337   40.295   15.841   51.856   16.700 -11.56143 23.01788 
1 1 1  -10   16   75 o   40.411   11.204   12.155   8.9378   12.089   12.379   12.226   12.919   40.247   15.707   40.574   15.983 -0.3268890 22.40842 
1 1 1  -10   16   76 o   25.264   12.017  -9.5984   11.244  -9.5984   11.244   0.0000   0.0000   25.264   12.017  ?   ?       ?      ? 
1 1 1  -10   16   77 o   41.359   15.919   14.143   12.581   14.143   12.581   0.0000   0.0000   41.359   15.919  ?   ?       ?      ? 
1 1 1  -10   16   78 o   29.695   13.452  -0.7348   11.657  -0.7348   11.657   0.0000   0.0000   29.695   13.452  ?   ?       ?      ? 
1 1 1  -10   16   79 o   34.188   14.663   6.2979   12.168   6.2979   12.168   0.0000   0.0000   34.188   14.663  ?   ?       ?      ? 
1 1 1  -10   16   80 o   26.189   12.297  -5.3565   11.093  -5.3565   11.093   0.0000   0.0000   26.189   12.297  ?   ?       ?      ? 
1 1 1  -10   16   81 o   45.896   16.363   21.641   12.838   21.641   12.838   0.0000   0.0000   45.896   16.363  ?   ?       ?      ? 
1 1 1  -10   17    1 o  132.625   7.6817  125.120   12.645  107.872   22.142  133.467   15.403  125.287   13.041  139.963   8.1211 -14.67639 15.36332 
1 1 1  -10   17    2 o  352.267   5.6062  845.278   26.740  846.582   37.082  843.865   38.594  352.588   7.7610  351.945   8.0921 0.6431274 11.21230 
1 1 1  -10   17    3 o  138.526   5.7086  132.936   10.502  159.680   14.647  104.640   15.066  153.197   7.0554  123.856   8.9763 29.34071 11.41723 
1 1 1  -10   17    4 o  282.536   5.2629  543.428   20.116  544.259   27.670  542.496   29.297  282.804   7.2201  282.269   7.6592 0.5349121 10.52579 
1 1 1  -10   17    5 o   86.968   8.2745   52.391   9.2274   53.636   11.422   50.051   15.656   88.639   9.5092   85.297   13.544 3.341393 16.54896 
1 1 1  -10   17    6 o  291.553   6.3875  593.351   23.898  625.802   29.865  535.586   39.846  303.241   7.2676  279.866   10.506 23.37564 12.77506 
1 1 1  -10   17    7 o  144.661   6.4458  142.339   12.062  141.313   14.952  144.251   20.413  144.064   7.6591  145.259   10.370 -1.195251 12.89170 
1 1 1  -10   17    8 o  356.898   6.7853  863.299   30.893  850.949   37.662  888.694   54.008  353.473   7.8626  360.322   11.061 -6.848846 13.57060 
1 1 1  -10   17    9 o  136.801   6.3198  124.025   11.232  115.687   13.823  140.227   19.269  130.333   7.8267  143.270   9.9247 -12.93694 12.63951 
1 1 1  -10   17   10 o   19.514   9.5073 -14.6480   8.1132 -14.6480   8.1132   0.0000   0.0000   19.514   9.5073  ?   ?       ?      ? 
1 1 1  -10   17   11 o  195.088   6.9454  258.926   18.362  258.926   18.362   0.0000   0.0000  195.088   6.9454  ?   ?       ?      ? 
1 1 1  -10   17   12 o  109.039   7.0239   81.860   9.7137   83.061   11.865   79.417   16.917  110.426   7.9286  107.652   11.596 2.773766 14.04775 
1 1 1  -10   17   13 o  128.286   6.1969  106.822   10.325   94.725   12.624  131.260   17.943  117.925   7.8996  138.647   9.5500 -20.72228 12.39380 
1 1 1  -10   17   14 o  139.914   6.2632  134.970   11.296  138.394   14.064  128.746   18.960  142.593   7.2780  137.235   10.195 5.357849 12.52648 
1 1 1  -10   17   15 o  116.725   6.5334   91.872   9.9225   89.100   12.323   96.982   16.733  114.362   7.9514  119.087   10.369 -4.724815 13.06676 
1 1 1  -10   17   16 o  159.003   5.9048  166.039   12.119  153.029   14.771  192.832   21.197  149.939   7.2696  168.068   9.3069 -18.12848 11.80954 
1 1 1  -10   17   17 o  174.792   5.8719  203.324   13.258  192.744   16.247  224.411   22.936  168.286   7.1245  181.297   9.3358 -13.01089 11.74373 
1 1 1  -10   17   18 o  158.537   5.9597  168.748   12.265  162.579   15.165  180.411   20.852  154.543   7.2413  162.531   9.4676 -7.988480 11.91936 
1 1 1  -10   17   19 f   67.472   9.3952   32.917   8.0830   35.643   10.205   28.329   13.241   72.178   10.434   62.766   15.627 9.412193 18.79031 
1 1 1  -10   17   20 o  168.997   5.9383  191.932   13.016  185.368   16.087  204.378   22.152  165.016   7.1938  172.977   9.4501 -7.961685 11.87661 
1 1 1  -10   17   21 o  132.232   6.4749  121.766   11.078  128.172   13.965  110.892   18.194  137.182   7.5119  127.281   10.549 9.900497 12.94990 
1 1 1  -10   17   22 o  221.009   6.0497  337.672   17.301  349.115   21.690  317.657   28.686  226.464   7.0677  215.555   9.8205 10.90851 12.09937 
1 1 1  -10   17   23 o  266.603   6.2363  494.296   21.493  518.352   27.034  452.965   35.436  275.906   7.2305  257.299   10.163 18.60709 12.47262 
1 1 1  -10   17   24 o  169.857   6.1617  200.689   13.585  211.357   17.193  182.963   22.162  176.176   7.2016  163.538   10.000 12.63837 12.32338 
1 1 1  -10   17   25 o  109.616   8.7737   78.391   12.689  107.602   20.761   60.975   16.031  125.097   12.247   94.134   12.567 30.96357 17.54738 
1 1 1  -10   17   26 o  304.760   6.5190  629.227   25.810  615.858   32.056  653.867   43.521  300.548   7.8707  308.972   10.394 -8.423767 13.03797 
1 1 1  -10   17   27 o  230.375   5.7126  358.134   15.827  353.659   18.469  370.507   30.707  228.044   5.9763  232.707   9.7375 -4.663681 11.42518 
1 1 1  -10   17   28 o  209.005   5.6778  295.309   14.381  292.031   16.866  304.042   27.529  207.210   6.0064  210.799   9.6369 -3.588211 11.35551 
1 1 1  -10   17   29 o  208.132   5.6238  294.194   14.217  292.518   16.719  298.573   27.020  207.380   5.9491  208.885   9.5455 -1.505829 11.24759 
1 1 1  -10   17   30 f   49.170   10.237   16.768   6.9973   16.350   8.5663   17.606   12.130   47.871   12.909   50.469   15.892 -2.597954 20.47429 
1 1 1  -10   17   31 o  101.573   6.5925   66.218   8.4173   59.681   9.9657   82.489   15.723   93.518   7.8638  109.629   10.583 -16.11125 13.18506 
1 1 1  -10   17   32 o  149.162   6.2617  151.463   12.657  151.463   12.657   0.0000   0.0000  149.162   6.2617  ?   ?       ?      ? 
1 1 1  -10   17   33 o   54.308   11.884   21.101   8.5033   21.101   8.5033   0.0000   0.0000   54.308   11.884  ?   ?       ?      ? 
1 1 1  -10   17   34 o   54.239   10.023   19.462   7.0219   16.293   8.4082   26.767   12.765   47.709   12.758   60.769   15.463 -13.05984 20.04688 
1 1 1  -10   17   35 o  131.647   6.1932  123.123   9.9521  129.774   11.937  107.966   18.022  138.014   6.3827  125.280   10.615 12.73399 12.38640 
1 1 1  -10   17   36 o  129.812   5.9262  110.860   9.6419  104.181   11.460  127.048   17.840  123.590   6.8424  136.033   9.6777 -12.44347 11.85232 
1 1 1  -10   17   37 o  112.664   6.5487   88.911   9.1855   91.940   11.109   82.364   16.332  116.057   7.0635  109.271   11.030 6.786415 13.09749 
1 1 1  -10   17   38 o   66.666   9.0604   33.225   7.4887   36.893   9.2559   26.273   12.742   73.295   9.3188   60.037   15.541 13.25802 18.12086 
1 1 1  -10   17   39 o   65.123   9.1319   29.275   7.4439   26.615   9.1118   34.615   12.908   61.089   11.427   69.156   14.248 -8.067551 18.26374 
1 1 1  -10   17   40 o  130.684   6.0749  117.109   9.9845  116.971   12.059  117.410   17.806  130.869   6.7996  130.499   10.069 0.3695526 12.14976 
1 1 1  -10   17   41 f  128.376   5.9740  105.728   9.7105   93.916   11.552  134.174   17.927  117.168   7.2755  139.583   9.4774 -22.41481 11.94801 
1 1 1  -10   17   42 o  112.894   6.4354   84.208   9.2139   78.280   11.046   97.769   16.706  106.889   7.6256  118.899   10.369 -12.00948 12.87088 
1 1 1  -10   17   43 o  105.197   7.0269   79.501   9.2269   85.225   11.317   68.153   15.935  111.517   7.4889   98.877   11.892 12.63967 14.05376 
1 1 1  -10   17   44 o  159.590   6.4325  175.816   13.619  176.484   17.582  174.813   21.532  160.261   8.0957  158.919   9.9983 1.341827 12.86492 
1 1 1  -10   17   45 o   99.168   7.5834   66.436   10.009   51.895   13.063   87.109   15.576   86.292   11.171  112.044   10.259 -25.75138 15.16676 
1 1 1  -10   17   46 o  135.733   6.1127  126.132   10.422  124.529   12.543  129.706   18.733  134.798   6.8665  136.667   10.115 -1.869461 12.22548 
1 1 1  -10   17   47 o   56.387   10.126   23.984   7.6021   25.745   9.4804   20.811   12.724   59.521   12.164   53.253   16.193 6.268555 20.25269 
1 1 1  -10   17   48 f  116.929   6.2568   90.473   9.3574   82.813   11.286  107.317   16.737  109.687   7.5928  124.171   9.9467 -14.48437 12.51355 
1 1 1  -10   17   49 o  110.714   6.5305   84.493   9.1525   83.343   11.090   86.950   16.209  110.016   7.4384  111.411   10.736 -1.394424 13.06095 
1 1 1  -10   17   50 o   54.358   12.466   21.761   8.9872   21.761   8.9872   0.0000   0.0000   54.358   12.466  ?   ?       ?      ? 
1 1 1  -10   17   51 o   92.618   9.5160   59.882   11.944   59.882   11.944   0.0000   0.0000   92.618   9.5160  ?   ?       ?      ? 
1 1 1  -10   17   52 o  125.371   6.5490  108.836   10.845  105.722   13.787  113.888   17.562  123.426   8.2432  127.316   10.179 -3.889946 13.09804 
1 1 1  -10   17   53 o   84.444   8.3231   53.100   8.9009   61.478   11.808   42.072   13.546   93.725   9.2966   75.163   13.808 18.56184 16.64611 
1 1 1  -10   17   54 o   47.782   9.5542   14.644   7.3963   2.8352   9.8543   29.878   11.193   32.481   13.522   63.082   13.501 -30.60100 19.10845 
1 1 1  -10   17   55 o   99.202   6.1238   70.759   7.9833   57.051   12.009   81.615   10.687   89.888   9.8585  108.517   7.2671 -18.62933 12.24751 
1 1 1  -10   17   56 o   51.331   9.0870   20.725   6.3825   14.782   10.127   24.640   8.2206   44.729   14.565   57.933   10.870 -13.20433 18.17406 
1 1 1  -10   17   57 o   50.067   9.2968   18.990   6.2965   19.403   10.001   18.720   8.1041   50.268   14.107   49.865   12.113 0.4035683 18.59356 
1 1 1  -10   17   58 o   32.117   8.7425   4.8496   5.8102  -2.5743   9.3077   9.5895   7.4372   27.338   12.232   36.895   12.495 -9.557501 17.48504 
1 1 1  -10   17   59 o   39.185   9.1147   11.189   6.6938  -7.0706   12.933   17.870   7.8232   29.812   13.752   48.557   11.966 -18.74496 18.22936 
1 1 1  -10   17   60 o  103.297   8.8396   89.236   9.8865   57.805   17.959  102.902   11.842   85.193   16.147  121.402   7.1983 -36.20951 17.67912 
1 1 1  -10   17   61 o   64.724   10.082   30.167   8.8431   0.0000   0.0000   30.167   8.8431  ?   ?    64.724   10.082      ?      ? 
1 1 1  -10   17   62 o   48.601   12.398   18.220   8.1915   0.0000   0.0000   18.220   8.1915  ?   ?    48.601   12.398      ?      ? 
1 1 1  -10   17   63 o   50.086   10.615   18.448   7.1994   25.311   13.536   15.740   8.5016   55.199   16.683   44.973   13.131 10.22546 21.23085 
1 1 1  -10   17   65 o   36.308   10.823   5.1302   9.0954   5.7762   13.010   4.5125   12.721   36.881   15.460   35.735   15.149 1.146885 21.64512 
1 1 1  -10   17   66 o   43.628   11.602   14.139   9.3446   12.278   13.188   16.015   13.242   41.955   16.257   45.302   16.556 -3.347054 23.20301 
1 1 1  -10   17   67 o   34.251   10.307   3.0545   8.5845   8.1822   12.075  -2.1857   12.207   37.730   15.252   30.773   13.868 6.957417 20.61466 
1 1 1  -10   17   68 o   47.950   10.695   15.402   9.3458  -1.0675   12.745   34.559   13.745   31.903   14.291   63.998   15.916 -32.09579 21.39007 
1 1 1  -10   17   69 f   36.446   10.033   2.1046   8.4920   19.572   12.452 -13.0824   11.611   48.155   16.168   24.737   11.885 23.41840 20.06659 
1 1 1  -10   17   70 o   53.187   11.757   24.717   9.5280   20.068   13.269   29.666   13.690   48.276   16.680   58.099   16.575 -9.823723 23.51498 
1 1 1  -10   17   71 o   31.075   9.7611  -0.6573   8.3723  -5.7661   11.670   4.7600   12.018   27.767   12.898   34.382   14.655 -6.614927 19.52227 
1 1 1  -10   17   72 o   82.177   10.214   55.791   11.033   47.294   15.330   64.920   15.890   73.919   15.784   90.435   12.966 -16.51569 20.42700 
1 1 1  -10   17   73 o   25.849   12.206  -7.9899   11.205  -7.9899   11.205   0.0000   0.0000   25.849   12.206  ?   ?       ?      ? 
1 1 1  -10   17   74 o   44.615   16.307   17.889   12.847   17.889   12.847   0.0000   0.0000   44.615   16.307  ?   ?       ?      ? 
1 1 1  -10   17   75 o   40.630   15.906   13.988   12.724   13.988   12.724   0.0000   0.0000   40.630   15.906  ?   ?       ?      ? 
1 1 1  -10   17   76 o   29.140   13.348  -1.5132   11.894  -1.5132   11.894   0.0000   0.0000   29.140   13.348  ?   ?       ?      ? 
1 1 1  -10   17   77 o   23.075   11.206 -12.6555   11.024 -12.6555   11.024   0.0000   0.0000   23.075   11.206  ?   ?       ?      ? 
1 1 1  -10   17   78 o   27.431   12.787  -3.2020   11.635  -3.2020   11.635   0.0000   0.0000   27.431   12.787  ?   ?       ?      ? 
1 1 1  -10   18    1 o  217.207   5.0805  321.876   14.906  327.775   20.386  315.100   21.849  219.401   6.8567  215.013   7.4988 4.387772 10.16103 
1 1 1  -10   18    2 o  154.132   5.2921  162.882   10.977  172.736   14.974  151.435   16.139  159.265   6.9380  148.999   7.9931 10.26550 10.58423 
1 1 1  -10   18    3 o   67.813   10.996   30.380   8.7325   27.785   9.9733   38.908   18.078   62.515   12.211   73.112   18.292 -10.59690 21.99273 
1 1 1  -10   18    4 o   98.877   10.387   82.228   10.684   95.883   12.527   45.794   20.462  118.582   7.7953   79.172   19.257 39.40976 20.77460 
1 1 1  -10   18    5 o  373.591   8.4509  960.001   42.761  966.659   59.617  952.946   61.366  375.026   11.731  372.156   12.168 2.869659 16.90182 
1 1 1  -10   18    6 o  106.571   9.9338   79.562   14.127   92.759   19.652   65.451   20.321  116.061   12.495   97.081   15.447 18.98022 19.86768 
1 1 1  -10   18    7 o   52.876   9.8500   19.625   7.1178   16.874   9.3796   23.359   10.929   48.737   13.655   57.016   14.199 -8.279068 19.70003 
1 1 1  -10   18    8 o  155.941   5.2685  165.458   11.087  162.877   14.955  168.607   16.519  154.631   7.1368  157.252   7.7519 -2.621338 10.53692 
1 1 1  -10   18    9 o  213.647   5.0853  311.088   14.685  312.779   20.092  309.149   21.517  214.314   6.9181  212.980   7.4554 1.333542 10.17068 
1 1 1  -10   18   10 o   54.361   9.8632   20.519   7.2800   16.382   9.5054   26.389   11.322   48.122   13.837   60.600   14.059 -12.47766 19.72636 
1 1 1  -10   18   11 o  168.805   6.1746  197.078   13.234  201.891   16.223  187.505   22.880  172.173   6.9533  165.436   10.206 6.736771 12.34927 
1 1 1  -10   18   12 o  198.139   5.7358  271.605   13.368  275.527   15.518  260.322   26.320  201.304   5.6887  194.973   9.9617 6.330307 11.47158 
1 1 1  -10   18   13 o   57.533   9.6976   22.002   6.7184   20.076   7.7679   27.721   13.385   53.108   11.149   61.958   15.871 -8.849758 19.39516 
1 1 1  -10   18   14 o   66.611   9.1618   34.162   7.0754   37.595   8.2990   25.028   13.538   74.212   8.2522   59.011   16.360 15.20153 18.32367 
1 1 1  -10   18   15 o  140.703   5.9170  135.574   9.9013  136.007   11.527  134.353   19.335  141.395   6.0161  140.011   10.191 1.384399 11.83403 
1 1 1  -10   18   16 o  122.796   6.1422  100.997   9.0258   98.763   10.480  107.411   17.760  120.453   6.4205  125.138   10.473 -4.685249 12.28433 
1 1 1  -10   18   17 o   83.372   7.2015   45.718   7.3598   43.300   8.6175   52.234   14.148   79.652   7.9837   87.091   11.988 -7.438591 14.40299 
1 1 1  -10   18   18 o   76.848   7.6374   38.058   7.2724   34.770   8.5294   46.811   13.918   71.315   8.8258   82.381   12.467 -11.06599 15.27482 
1 1 1  -10   18   19 o   84.428   7.5352   48.353   7.6905   47.646   9.0009   50.263   14.801   83.546   7.9502   85.309   12.803 -1.763245 15.07048 
1 1 1  -10   18   20 o  126.573   6.7600  107.026   11.315   98.194   14.275  121.952   18.557  119.829   8.7908  133.316   10.272 -13.48763 13.52000 
1 1 1  -10   18   21 o  198.336   6.1401  262.106   15.876  245.253   19.639  293.895   26.972  189.575   7.6446  207.097   9.6107 -17.52223 12.28024 
1 1 1  -10   18   22 o  204.563   5.5877  269.012   13.644  252.079   15.685  321.660   27.657  192.446   6.0143  216.680   9.4190 -24.23396 11.17545 
1 1 1  -10   18   23 o   28.450   8.9997  -3.9056   6.5394  -5.0215   7.8353  -1.3437   11.872   23.879   10.899   33.021   14.325 -9.142120 17.99941 
1 1 1  -10   18   24 o   65.126   9.4630   33.940   7.5013   39.813   8.9890   20.467   13.614   76.274   8.6966   53.977   16.810 22.29654 18.92604 
1 1 1  -10   18   25 o   99.573   7.5643   74.951   8.7699   83.770   10.465   54.150   16.072  110.825   6.9684   88.320   13.428 22.50470 15.12861 
1 1 1  -10   18   26 o  241.570   5.8042  403.718   16.852  409.273   19.793  389.079   32.130  245.161   5.9577  237.979   9.9630 7.181717 11.60837 
1 1 1  -10   18   27 o   73.006   9.1243   39.907   7.8176   43.036   9.3251   32.506   14.341   79.265   8.6814   66.747   16.051 12.51767 18.24868 
1 1 1  -10   18   28 o   89.128   7.8015   54.316   9.4227   54.316   9.4227   0.0000   0.0000   89.128   7.8015  ?   ?       ?      ? 
1 1 1  -10   18   29 o   88.932   7.8846   54.105   9.5021   54.105   9.5021   0.0000   0.0000   88.932   7.8846  ?   ?       ?      ? 
1 1 1  -10   18   30 f   92.155   6.9581   52.032   7.9244   44.037   9.2035   74.947   15.582   80.156   8.4730  104.154   11.040 -23.99828 13.91623 
1 1 1  -10   18   31 o   74.545   7.9143   34.041   7.3706   27.905   8.6207   50.716   14.211   63.645   9.9953   85.445   12.273 -21.79987 15.82857 
1 1 1  -10   18   32 o   47.531   10.339   14.255   6.8951   11.086   8.2493   21.599   12.560   40.411   13.145   54.651   15.961 -14.24033 20.67708 
1 1 1  -10   18   33 o  121.239   6.2079   95.875   9.3440   88.925   11.001  113.878   17.705  114.037   7.1185  128.440   10.172 -14.40285 12.41572 
1 1 1  -10   18   34 o   57.066   9.5774   26.020   7.3305   31.618   8.8269   13.578   13.160   67.720   9.6185   46.412   16.565 21.30827 19.15482 
1 1 1  -10   18   35 o   82.628   7.5469   43.580   7.9620   37.003   9.5168   58.920   14.535   73.235   9.5894   92.020   11.656 -18.78493 15.09373 
1 1 1  -10   18   36 o  106.401   7.6831   88.680   9.4552  103.932   11.478   56.471   16.679  123.248   6.8721   89.555   13.744 33.69358 15.36619 
1 1 1  -10   18   37 o  151.957   5.9362  154.970   11.160  149.575   13.204  168.465   20.883  147.881   6.5890  156.034   9.8761 -8.153137 11.87233 
1 1 1  -10   18   38 o   64.693   9.3177   29.886   7.5457   29.647   9.1611   30.391   13.306   65.354   10.344   64.032   15.501 1.322929 18.63550 
1 1 1  -10   18   39 o   45.558   10.352   13.131   6.9013   10.050   8.3402   19.822   12.291   38.919   13.231   52.197   15.925 -13.27776 20.70398 
1 1 1  -10   18   40 o   68.358   9.5665   34.478   8.5926   40.201   11.641   27.628   12.736   75.807   11.332   60.910   15.416 14.89654 19.13302 
1 1 1  -10   18   41 o   61.167   10.246   27.159   8.4057   20.867   11.217   35.218   12.694   53.127   14.950   69.207   14.016 -16.08009 20.49298 
1 1 1  -10   18   42 o   88.735   7.0273   50.738   8.1122   40.386   9.9297   71.513   14.067   76.220   9.6135  101.250   10.252 -25.02955 14.05450 
1 1 1  -10   18   43 o   81.483   7.4795   45.048   7.8923   41.866   9.6760   51.373   13.642   77.637   9.1970   85.328   11.798 -7.691727 14.95898 
1 1 1  -10   18   44 o   80.608   7.5771   45.020   7.8735   43.713   9.6840   47.570   13.524   79.316   9.0097   81.901   12.185 -2.584984 15.15410 
1 1 1  -10   18   45 o   32.957   9.5316   0.4347   7.1253  -6.4225   9.3491   9.9378   11.006   25.403   11.709   40.510   15.043 -15.10681 19.06317 
1 1 1  -10   18   46 o   42.240   10.635   11.228   7.6224   8.2810   9.9315   15.452   11.891   37.828   14.242   46.651   15.799 -8.822144 21.27047 
1 1 1  -10   18   47 o  108.779   8.7599   82.466   12.913   82.466   12.913   0.0000   0.0000  108.779   8.7599  ?   ?       ?      ? 
1 1 1  -10   18   48 o   54.557   10.184   22.018   7.3227   20.885   8.9574   24.301   12.715   52.888   12.665   56.225   15.950 -3.337791 20.36725 
1 1 1  -10   18   49 o  145.926   6.0049  143.456   10.881  136.133   12.872  161.787   20.365  140.409   6.7650  151.443   9.9232 -11.03346 12.00981 
1 1 1  -10   18   50 o  123.026   6.2786   95.534   9.6990   79.996   11.403  136.174   18.442  107.206   7.8494  138.847   9.8015 -31.64063 12.55713 
1 1 1  -10   18   51 o   49.099   10.313   16.602   7.1181   12.279   8.6936   25.392   12.398   41.167   13.499   57.032   15.594 -15.86431 20.62521 
1 1 1  -10   18   52 o   40.660   9.3723   11.702   6.9801   19.198   8.5828  -2.9431   11.996   50.344   12.608   30.976   13.871 19.36754 18.74467 
1 1 1  -10   18   53 o  117.351   6.3843   93.868   9.3186   88.891   11.039  106.205   17.381  113.006   7.2087  121.697   10.539 -8.690704 12.76869 
1 1 1  -10   18   54 o   73.172   8.3392   38.931   7.5568   37.795   9.1954   41.296   13.263   72.957   9.3007   73.386   13.844 -0.4283905 16.67839 
1 1 1  -10   18   55 o   45.879   9.8592   13.740   6.6770   7.8459   8.1896   25.425   11.531   35.076   12.986   56.683   14.838 -21.60706 19.71846 
1 1 1  -10   18   56 o   41.816   10.778   12.096   8.5576   0.7762   14.626   17.989   10.553   35.731   15.691   47.902   14.780 -12.17078 21.55589 
1 1 1  -10   18   57 o   51.272   11.124   22.216   9.1468   9.8215   15.644   28.654   11.275   42.204   17.249   60.340   14.051 -18.13608 22.24740 
1 1 1  -10   18   58 o   37.695   10.130   9.1178   7.1476   8.1684   9.9119   10.146   10.317   36.559   14.114   38.831   14.536 -2.271446 20.26045 
1 1 1  -10   18   59 o   40.552   11.077   9.7848   8.4883   16.016   13.813   6.0045   10.759   45.882   16.888   35.221   14.339 10.66079 22.15440 
1 1 1  -10   18   60 o   62.351   11.423   29.453   9.2961   0.0000   0.0000   29.453   9.2961  ?   ?    62.351   11.423      ?      ? 
1 1 1  -10   18   61 o   35.086   10.505   3.9204   8.6671   7.3655   12.709   0.9254   11.850   37.771   15.505   32.400   14.179 5.371208 21.01027 
1 1 1  -10   18   62 o   55.571   11.617   26.091   9.3562   27.720   13.579   24.618   12.910   57.103   16.573   54.039   16.284 3.064034 23.23401 
1 1 1  -10   18   63 o   24.568   8.3249 -13.2522   8.0338 -18.8288   11.653  -8.2009   11.091   22.911   11.212   26.226   12.309 -3.315599 16.64980 
1 1 1  -10   18   64 o   50.425   11.103   20.215   9.5782   6.0024   13.610   34.163   13.482   37.101   15.696   63.748   15.709 -26.64716 22.20609 
1 1 1  -10   18   65 o   44.964   11.541   16.381   9.0862   17.412   12.875   15.357   12.825   45.945   16.386   43.982   16.257 1.963169 23.08265 
1 1 1  -10   18   66 o   42.941   11.053   12.937   9.0987   2.6568   12.714   23.729   13.027   33.792   14.740   52.090   16.476 -18.29831 22.10683 
1 1 1  -10   18   67 o   56.960   11.709   28.862   9.5906   30.518   13.618   27.233   13.509   58.689   16.458   55.232   16.660 3.457340 23.41845 
1 1 1  -10   18   68 o   46.442   9.2825   8.7456   8.9898 -18.1783   12.227   40.421   13.263   23.515   11.503   69.369   14.572 -45.85368 18.56497 
1 1 1  -10   18   69 o   50.896   10.138   17.594   9.4876  -4.0935   12.712   44.866   14.255   29.460   13.605   72.332   15.034 -42.87201 20.27608 
1 1 1  -10   18   70 o   49.194   16.495   22.458   12.961   22.458   12.961   0.0000   0.0000   49.194   16.495  ?   ?       ?      ? 
1 1 1  -10   18   71 o   32.907   14.366   3.9495   12.102   3.9495   12.102   0.0000   0.0000   32.907   14.366  ?   ?       ?      ? 
1 1 1  -10   18   72 o   50.964   16.745   25.524   13.375   25.524   13.375   0.0000   0.0000   50.964   16.745  ?   ?       ?      ? 
1 1 1  -10   18   73 o   34.281   14.754   6.7994   12.395   6.7994   12.395   0.0000   0.0000   34.281   14.754  ?   ?       ?      ? 
1 1 1  -10   18   74 o   30.816   13.810   2.4274   11.917   2.4274   11.917   0.0000   0.0000   30.816   13.810  ?   ?       ?      ? 
1 1 1  -10   18   75 o   37.102   15.210   12.114   12.211   12.114   12.211   0.0000   0.0000   37.102   15.210  ?   ?       ?      ? 
1 1 1  -10   19    1 o   53.805   10.506   20.794   7.9402   23.790   11.496   18.061   10.980   57.245   14.733   50.366   14.982 6.879246 21.01204 
1 1 1  -10   19    2 o  104.831   6.3347   74.353   8.9179   68.208   11.694   82.893   13.787   99.768   8.6494  109.894   9.2576 -10.12653 12.66945 
1 1 1  -10   19    3 o  194.684   5.1628  259.344   13.571  264.903   18.537  252.923   19.922  197.011   6.9432  192.357   7.6426 4.653580 10.32557 
1 1 1  -10   19    4 o  101.518   6.4847   70.845   8.8573   71.861   11.890   69.578   13.277  102.418   8.5668  100.618   9.7372 1.800613 12.96934 
1 1 1  -10   19    5 o  106.467   6.3670   78.888   9.0407   87.161   12.207   68.839   13.454  112.878   7.9805  100.055   9.9229 12.82249 12.73392 
1 1 1  -10   19    6 o   97.018   6.7892   66.077   8.7136   74.022   11.629   55.905   13.158  103.988   8.2523   90.048   10.783 13.94052 13.57838 
1 1 1  -10   19    7 o  198.297   5.2145  269.240   13.956  276.527   19.064  260.824   20.487  201.277   6.9895  195.316   7.7402 5.960693 10.42895 
1 1 1  -10   19    8 o   95.869   6.6206   62.286   8.5328   56.885   11.234   69.650   13.118   91.055   9.1047  100.684   9.6142 -9.628136 13.24116 
1 1 1  -10   19    9 o   49.505   9.9265   18.011   7.1687   22.358   9.3054   11.665   11.243   55.708   12.619   43.303   15.327 12.40482 19.85309 
1 1 1  -10   19   10 o   87.928   6.9453   51.955   8.1763   43.121   10.719   64.245   12.644   79.171   9.9913   96.685   9.6500 -17.51431 13.89062 
1 1 1  -10   19   11 o  156.986   7.7652  168.761   16.453  186.618   24.623  154.358   22.114  164.410   11.052  149.561   10.911 14.84906 15.53033 
1 1 1  -10   19   12 o   63.231   13.217   28.805   10.961   28.805   10.961   0.0000   0.0000   63.231   13.217  ?   ?       ?      ? 
1 1 1  -10   19   13 o  190.133   5.9108  237.066   12.856  228.417   14.554  267.769   27.423  183.109   5.8655  197.158   10.264 -14.04861 11.82167 
1 1 1  -10   19   14 o  126.793   6.6839  117.072   9.7617  124.004   11.371   97.646   19.036  134.865   6.2216  118.722   11.832 16.14227 13.36790 
1 1 1  -10   19   15 o   91.818   7.7104   55.573   9.3052   48.013   11.565   69.451   15.669   83.473   10.224  100.163   11.544 -16.69074 15.42081 
1 1 1  -10   19   16 o  131.600   6.6327  112.978   11.355   98.977   13.903  141.034   19.680  120.141   8.5393  143.060   10.151 -22.91964 13.26531 
1 1 1  -10   19   17 o   99.074   7.5707   73.612   8.5772   80.027   10.052   56.435   16.449  108.252   6.8523   89.897   13.502 18.35450 15.14147 
1 1 1  -10   19   18 o   81.561   8.5212   49.547   7.7325   52.369   9.0026   41.609   15.099   87.483   7.5938   75.639   15.257 11.84461 17.04247 
1 1 1  -10   19   19 o   67.744   9.0045   32.739   7.2156   32.968   8.4767   32.138   13.749   69.262   9.0313   66.225   15.581 3.037338 18.00907 
1 1 1  -10   19   20 o  158.920   5.7481  165.342   11.002  156.787   12.744  190.389   21.805  151.597   6.2033  166.243   9.6789 -14.64542 11.49616 
1 1 1  -10   19   21 o   65.022   8.9223   27.315   7.1080   22.134   8.4349   40.009   13.202   55.496   11.590   74.547   13.568 -19.05026 17.84451 
1 1 1  -10   19   22 o   75.498   7.8697   38.044   7.4264   35.861   8.8165   43.378   13.779   72.203   9.0106   78.793   12.905 -6.589302 15.73939 
1 1 1  -10   19   23 o  125.522   6.6825  107.673   11.367  107.673   11.367   0.0000   0.0000  125.522   6.6825  ?   ?       ?      ? 
1 1 1  -10   19   24 o   57.090   11.643   23.447   8.7020   23.447   8.7020   0.0000   0.0000   57.090   11.643  ?   ?       ?      ? 
1 1 1  -10   19   25 o   71.578   9.6825   45.240   7.9761   55.172   9.4151   19.990   15.011   89.690   7.7463   53.467   17.748 36.22370 19.36496 
1 1 1  -10   19   26 o  161.970   5.8190  176.406   11.468  171.637   13.438  189.185   22.000  158.508   6.2561  165.432   9.8134 -6.923737 11.63798 
1 1 1  -10   19   27 o  110.206   6.4046   79.848   8.8082   74.249   10.417   93.896   16.500  104.067   7.3864  116.345   10.465 -12.27839 12.80925 
1 1 1  -10   19   28 o   81.848   7.5659   46.700   7.6881   46.930   9.2123   46.174   13.955   82.599   8.2302   81.097   12.698 1.501808 15.13180 
1 1 1  -10   19   29 o   63.066   9.1119   29.324   7.1269   30.796   8.6305   26.170   12.637   66.714   9.5462   59.417   15.523 7.297215 18.22383 
1 1 1  -10   19   30 o  107.822   6.4338   77.274   8.5825   73.113   10.116   87.965   16.214  103.228   7.2314  112.416   10.643 -9.187424 12.86762 
1 1 1  -10   19   31 o   62.232   9.2434   28.917   7.1507   30.763   8.6342   24.887   12.759   66.623   9.5634   57.842   15.821 8.780994 18.48676 
1 1 1  -10   19   32 o  109.104   6.3205   79.084   8.6165   74.309   10.220   90.823   16.024  104.014   7.2504  114.193   10.355 -10.17937 12.64108 
1 1 1  -10   19   33 o   33.524   9.6105   2.9738   6.5031   0.6203   7.9583   7.7030   11.281   28.166   11.964   38.882   15.044 -10.71666 19.22105 
1 1 1  -10   19   34 o  145.017   6.2573  142.702   11.817  135.451   14.639  156.268   20.022  140.216   7.7043  149.818   9.8620 -9.602325 12.51461 
1 1 1  -10   19   35 o   54.165   10.601   21.409   7.9117   19.361   10.153   24.574   12.624   51.132   14.165   57.198   15.775 -6.065208 21.20170 
1 1 1  -10   19   36 o   54.021   11.024   22.001   9.2042   10.319   13.827   31.297   12.334   43.261   16.678   64.781   14.421 -21.51973 22.04818 
1 1 1  -10   19   37 o   44.011   10.333   6.3459   8.6433   27.914   13.672  -8.0140   11.156   60.558   16.300   27.464   12.705 33.09402 20.66634 
1 1 1  -10   19   38 o  140.939   6.3188  137.682   11.638  136.165   14.615  140.311   19.241  140.366   7.6835  141.513   10.034 -1.147202 12.63758 
1 1 1  -10   19   39 o  105.941   6.5962   76.406   8.7893   73.194   10.524   83.812   15.980  102.902   7.5471  108.980   10.820 -6.078751 13.19240 
1 1 1  -10   19   40 o   68.564   8.4516   30.711   7.3476   22.512   8.9351   47.835   12.913   55.139   12.274   81.990   11.622 -26.85141 16.90313 
1 1 1  -10   19   41 o   73.917   8.5838   41.987   7.5935   46.285   9.3121   33.457   13.118   81.528   8.4286   66.306   14.956 15.22224 17.16753 
1 1 1  -10   19   42 o   59.664   9.4830   24.918   7.1288   21.007   8.6353   33.287   12.632   53.108   12.249   66.219   14.480 -13.11087 18.96601 
1 1 1  -10   19   43 o   53.603   12.128   21.423   8.6035   21.423   8.6035   0.0000   0.0000   53.603   12.128  ?   ?       ?      ? 
1 1 1  -10   19   44 o   39.803   10.256   9.9664   6.8007   9.0260   8.2297   11.991   12.076   36.901   13.107   42.705   15.778 -5.803661 20.51183 
1 1 1  -10   19   45 o   52.155   9.8835   21.024   6.9636   21.902   8.6270   19.383   11.797   54.072   12.078   50.239   15.648 3.833218 19.76701 
1 1 1  -10   19   46 o   60.971   9.0155   24.396   7.1431   16.200   8.6650   41.780   12.619   46.223   13.186   75.719   12.298 -29.49612 18.03103 
1 1 1  -10   19   47 o   34.013   9.6518   5.4451   6.6069   6.1667   8.1986   4.1084   11.158   33.355   12.847   34.670   14.408 -1.315544 19.30363 
1 1 1  -10   19   48 o   85.795   7.3042   48.268   8.0356   39.580   9.6404   68.046   14.545   74.588   9.5378   97.002   11.065 -22.41422 14.60840 
1 1 1  -10   19   49 o   33.713   9.8574   3.2926   7.4056  -0.5944   9.8882   8.2578   11.176   29.425   12.912   38.001   14.898 -8.576363 19.71488 
1 1 1  -10   19   50 o   32.666   9.4678   2.2936   7.2863   9.7249   9.8146  -6.8311   10.876   38.314   14.210   27.019   12.515 11.29454 18.93564 
1 1 1  -10   19   51 o   66.533   9.6359   35.233   8.3441   40.257   10.848   27.954   13.058   74.442   10.753   58.624   15.993 15.81770 19.27180 
1 1 1  -10   19   52 o   36.383   9.6230   5.7582   7.5143   16.142   10.060  -7.3493   11.302   45.513   14.487   27.252   12.670 18.26032 19.24595 
1 1 1  -10   19   53 o   40.675   10.451   11.782   7.4083   11.127   9.9164   12.610   11.145   39.603   14.349   41.747   15.199 -2.144089 20.90198 
1 1 1  -10   19   54 o   37.166   10.621   7.1123   8.4858   0.5052   13.840   11.092   10.742   34.422   15.185   39.910   14.853 -5.488510 21.24146 
1 1 1  -10   19   55 o  106.377   11.165   83.525   16.095   0.0000   0.0000   83.525   16.095  ?   ?   106.377   11.165      ?      ? 
1 1 1  -10   19   56 o   33.808   9.7979   5.0428   7.2599   7.7672   9.9173   1.8972   10.657   35.900   14.045   31.716   13.665 4.184155 19.59581 
1 1 1  -10   19   57 o   49.887   9.8992   20.021   7.7645   30.658   10.726   8.3087   11.255   62.442   13.094   37.332   14.850 25.10967 19.79842 
1 1 1  -10   19   58 o   49.538   14.378   19.981   10.220   19.981   10.220   0.0000   0.0000   49.538   14.378  ?   ?       ?      ? 
1 1 1  -10   19   59 o   53.172   14.277   23.131   10.505   23.131   10.505   0.0000   0.0000   53.172   14.277  ?   ?       ?      ? 
1 1 1  -10   19   60 o   40.889   14.384   12.950   9.8876   12.950   9.8876   0.0000   0.0000   40.889   14.384  ?   ?       ?      ? 
1 1 1  -10   19   61 o   44.403   14.364   16.098   9.8582   16.098   9.8582   0.0000   0.0000   44.403   14.364  ?   ?       ?      ? 
1 1 1  -10   19   62 o   33.306   13.470   6.1129   9.4223   6.1129   9.4223   0.0000   0.0000   33.306   13.470  ?   ?       ?      ? 
1 1 1  -10   19   63 o   45.662   14.050   17.386   9.5430   17.386   9.5430   0.0000   0.0000   45.662   14.050  ?   ?       ?      ? 
1 1 1  -10   19   64 o   34.763   13.720   7.9162   9.5365   7.9162   9.5365   0.0000   0.0000   34.763   13.720  ?   ?       ?      ? 
1 1 1  -10   19   65 f   50.326   14.291   21.808   10.201   21.808   10.201   0.0000   0.0000   50.326   14.291  ?   ?       ?      ? 
1 1 1  -10   19   66 o   33.342   14.573   3.8072   12.484   3.8072   12.484   0.0000   0.0000   33.342   14.573  ?   ?       ?      ? 
1 1 1  -10   19   67 o   27.125   12.801  -7.2191   12.290  -7.2191   12.290   0.0000   0.0000   27.125   12.801  ?   ?       ?      ? 
1 1 1  -10   19   68 o   38.438   15.662   11.728   12.850   11.728   12.850   0.0000   0.0000   38.438   15.662  ?   ?       ?      ? 
1 1 1  -10   19   69 o   23.802   11.488 -11.2142   11.142 -11.2142   11.142   0.0000   0.0000   23.802   11.488  ?   ?       ?      ? 
1 1 1  -10   19   70 o   41.188   16.014   16.345   12.832   16.345   12.832   0.0000   0.0000   41.188   16.014  ?   ?       ?      ? 
1 1 1  -10   19   71 o   28.229   13.083  -1.7540   11.911  -1.7540   11.911   0.0000   0.0000   28.229   13.083  ?   ?       ?      ? 
1 1 1  -10   20    1 o  156.228   8.0552  167.879   17.054   0.0000   0.0000  167.879   17.054  ?   ?   156.228   8.0552      ?      ? 
1 1 1  -10   20    2 o   36.049   14.374   5.2682   10.568   0.0000   0.0000   5.2682   10.568  ?   ?    36.049   14.374      ?      ? 
1 1 1  -10   20    3 o   75.542   8.0221   41.406   7.7584   47.235   10.355   33.945   11.715   82.682   9.2416   68.402   13.115 14.27959 16.04419 
1 1 1  -10   20    4 o   48.333   10.061   16.903   6.9717   17.198   9.0779   16.477   10.885   48.603   13.366   48.062   15.041 0.5411148 20.12188 
1 1 1  -10   20    5 o   92.138   6.6847   58.101   8.2926   53.590   10.991   64.063   12.635   88.077   9.2086   96.200   9.6922 -8.123161 13.36930 
1 1 1  -10   20    6 o   55.658   9.4881   23.467   7.2000   29.183   9.5732   16.023   10.925   63.768   11.501   47.547   15.094 16.22093 18.97626 
1 1 1  -10   20    7 f   63.707   9.0842   30.175   7.5597   35.560   10.000   22.993   11.548   71.570   10.311   55.845   14.959 15.72571 18.16837 
1 1 1  -10   20    8 o   41.641   11.033   9.7584   8.6495   0.6485   15.042   14.258   10.572   37.933   16.288   45.349   14.887 -7.416580 22.06584 
1 1 1  -10   20    9 o  169.181   6.6044  194.089   14.388  210.080   24.935  186.107   17.616  173.825   10.586  164.538   7.9006 9.287262 13.20887 
1 1 1  -10   20   10 o   52.471   11.447   20.096   8.7802   17.791   14.906   21.321   10.865   51.098   17.678   53.845   14.547 -2.747601 22.89375 
1 1 1  -10   20   11 o   28.891   8.4952   0.6524   5.9293   6.1061   6.7924 -16.8097   12.154   32.449   11.857   25.333   12.169 7.115606 16.99047 
1 1 1  -10   20   12 o   51.827   9.8503   20.669   6.4865   22.327   7.3619   14.913   13.715   55.929   10.084   47.724   16.924 8.204895 19.70062 
1 1 1  -10   20   13 o   78.577   8.6536   45.907   7.3271   47.548   8.3667   40.507   15.177   83.218   7.4191   73.935   15.636 9.283112 17.30719 
1 1 1  -10   20   14 o   87.937   7.3824   49.320   7.5340   45.535   8.5237   62.839   16.109   81.385   7.7287   94.489   12.581 -13.10391 14.76489 
1 1 1  -10   20   15 o   53.921   9.6429   23.214   6.8287   26.564   7.8681   12.989   13.747   61.941   9.3736   45.902   16.855 16.03923 19.28577 
1 1 1  -10   20   16 o  111.144   6.6357   82.504   8.7430   79.398   10.072   92.002   17.612  107.604   6.9069  114.683   11.333 -7.078209 13.27149 
1 1 1  -10   20   17 o  128.766   6.2605  107.939   9.5784  101.314   10.993  128.826   19.519  121.589   6.6718  135.943   10.595 -14.35470 12.52095 
1 1 1  -10   20   18 o  145.562   8.0201  145.980   15.820  145.980   15.820   0.0000   0.0000  145.562   8.0201  ?   ?       ?      ? 
1 1 1  -10   20   19 o   85.114   10.299   50.475   11.879   50.475   11.879   0.0000   0.0000   85.114   10.299  ?   ?       ?      ? 
1 1 1  -10   20   20 o   70.864   9.7531   45.018   7.8178   53.574   9.0783   20.466   15.379   88.229   7.5929   53.498   17.968 34.73156 19.50624 
1 1 1  -10   20   21 o  137.383   6.2603  130.227   10.110  129.772   11.689  131.579   20.142  137.642   6.2668  137.125   10.839 0.5166779 12.52057 
1 1 1  -10   20   22 o   45.268   9.7671   15.679   6.6959   19.211   7.8848   6.5429   12.681   51.313   11.610   39.223   15.709 12.09047 19.53413 
1 1 1  -10   20   23 o   41.777   9.5517   12.784   6.4415   16.544   7.6240   3.4020   12.042   47.536   11.871   36.017   14.967 11.51952 19.10334 
1 1 1  -10   20   24 o   70.937   8.6447   36.717   7.2598   37.449   8.6149   34.922   13.484   73.521   8.6468   68.353   14.972 5.167763 17.28950 
1 1 1  -10   20   25 o   36.455   9.8578   6.6164   6.3757   5.3704   7.6675   9.4082   11.478   32.424   12.440   40.487   15.295 -8.062817 19.71562 
1 1 1  -10   20   26 o  103.279   6.5438   73.136   8.2869   71.653   9.7819   76.905   15.597  102.023   7.0753  104.534   11.010 -2.511314 13.08751 
1 1 1  -10   20   27 o  135.630   6.0006  126.226   9.8801  124.523   11.604  130.716   18.840  134.673   6.3582  136.587   10.178 -1.914658 12.00115 
1 1 1  -10   20   28 o   87.710   8.6456   64.085   8.0988   74.685   9.6352   38.567   14.949  104.168   6.8257   71.253   15.887 32.91405 17.29118 
1 1 1  -10   20   29 o   44.018   8.7353   15.254   6.6204   23.658   7.9500  -3.7606   11.958   57.137   10.660   30.898   13.842 26.23816 17.47054 
1 1 1  -10   20   30 o   34.701   9.5425   5.2990   6.0883   3.4259   7.3646   9.3427   10.821   29.769   11.955   39.632   14.877 -9.862829 19.08494 
1 1 1  -10   20   31 o   95.339   6.9950   61.336   8.2750   57.806   9.7740   70.269   15.549   91.301   7.8998   99.378   11.546 -8.076546 13.99009 
1 1 1  -10   20   32 o  102.506   7.4129   75.269   10.050   79.993   13.152   68.640   15.579  106.953   9.0745   98.059   11.724 8.894257 14.82579 
1 1 1  -10   20   33 o   68.806   8.5628   32.829   7.3598   29.737   8.8895   39.566   13.123   64.923   10.104   72.689   13.827 -7.766678 17.12557 
1 1 1  -10   20   34 o   85.949   7.9450   56.230   7.9724   60.992   9.6182   45.774   14.251   93.757   7.5702   78.142   13.971 15.61478 15.89007 
1 1 1  -10   20   35 o   61.142   9.1138   26.099   6.9876   21.918   8.4858   34.904   12.315   54.298   11.864   67.987   13.838 -13.68921 18.22751 
1 1 1  -10   20   36 o   53.488   9.6890   20.198   6.8008   16.211   8.3326   28.153   11.770   46.437   12.820   60.540   14.531 -14.10263 19.37805 
1 1 1  -10   20   37 o   60.544   9.3656   28.643   7.2455   31.376   8.8887   23.231   12.508   66.542   9.8574   54.547   15.928 11.99447 18.73123 
1 1 1  -10   20   38 o  100.498   7.2122   76.355   8.7751   83.821   10.656   60.623   15.468  109.851   7.1583   91.145   12.523 18.70634 14.42449 
1 1 1  -10   20   39 o   39.850   13.352   11.425   8.4923   11.425   8.4923   0.0000   0.0000   39.850   13.352  ?   ?       ?      ? 
1 1 1  -10   20   40 o  102.915   7.4741   71.316   10.046   59.085   12.350   95.228   17.268   90.983   10.017  114.847   11.095 -23.86386 14.94821 
1 1 1  -10   20   41 o  119.181   6.7459   96.137   10.588   80.817   13.205  123.723   17.720  106.781   9.1255  131.581   9.9376 -24.80075 13.49190 
1 1 1  -10   20   42 o   59.239   10.216   26.691   8.0317   22.501   10.347   33.042   12.740   53.671   14.059   64.806   14.828 -11.13467 20.43289 
1 1 1  -10   20   43 o   52.107   9.9313   18.682   7.7163   8.0526   9.8619   35.462   12.391   36.644   14.097   67.570   13.993 -30.92656 19.86265 
1 1 1  -10   20   44 o   42.100   9.2636   11.944   7.4415   23.796   9.6015  -5.8841   11.776   55.480   12.998   28.720   13.202 26.76008 18.52720 
1 1 1  -10   20   45 o   80.109   7.7652   46.782   7.6576   46.773   9.1360   46.801   14.040   81.326   8.2899   78.893   13.133 2.432823 15.53037 
1 1 1  -10   20   46 o   48.970   8.9962   20.456   7.0313   28.464   8.5584   3.8271   12.333   62.760   10.063   35.179   14.915 27.58131 17.99244 
1 1 1  -10   20   47 o   90.633   7.0650   52.596   8.0499   42.205   9.4635   79.796   15.311   76.803   9.0927  104.464   10.816 -27.66084 14.12999 
1 1 1  -10   20   48 o   74.298   9.1846   40.591   8.8934   33.903   11.296   51.495   14.424   66.070   13.079   82.527   12.898 -16.45695 18.36914 
1 1 1  -10   20   49 o   68.107   10.807   35.499   10.128   55.203   15.923   22.113   13.125   84.599   13.889   51.615   16.560 32.98363 21.61398 
1 1 1  -10   20   50 o   89.109   12.568   60.069   15.177   0.0000   0.0000   60.069   15.177  ?   ?    89.109   12.568      ?      ? 
1 1 1  -10   20   51 o   34.348   10.039   4.3980   7.5250   1.0905   9.6970   9.4050   11.931   29.920   12.963   38.776   15.332 -8.855890 20.07762 
1 1 1  -10   20   52 o   35.387   10.010   5.5599   7.2957   1.0208   9.3694   12.551   11.628   29.398   12.739   41.376   15.443 -11.97868 20.01938 
1 1 1  -10   20   53 o   53.624   9.9484   24.937   8.0450   34.201   10.436   11.368   12.630   66.590   12.006   40.659   15.866 25.93163 19.89683 
1 1 1  -10   20   54 o   22.981   10.852  -7.9112   8.8592  -7.9112   8.8592   0.0000   0.0000   22.981   10.852  ?   ?       ?      ? 
1 1 1  -10   20   55 o   47.848   14.180   18.797   9.8497   18.797   9.8497   0.0000   0.0000   47.848   14.180  ?   ?       ?      ? 
1 1 1  -10   20   56 o   33.479   13.418   6.3475   9.2572   6.3475   9.2572   0.0000   0.0000   33.479   13.418  ?   ?       ?      ? 
1 1 1  -10   20   57 o   43.834   14.395   15.813   9.8849   15.813   9.8849   0.0000   0.0000   43.834   14.395  ?   ?       ?      ? 
1 1 1  -10   20   58 o   27.510   12.288  -0.9228   9.3501  -0.9228   9.3501   0.0000   0.0000   27.510   12.288  ?   ?       ?      ? 
1 1 1  -10   20   59 f   23.405   11.026  -7.0333   9.0464  -7.0333   9.0464   0.0000   0.0000   23.405   11.026  ?   ?       ?      ? 
1 1 1  -10   20   60 o   38.680   14.155   11.862   9.6854   11.862   9.6854   0.0000   0.0000   38.680   14.155  ?   ?       ?      ? 
1 1 1  -10   20   61 o   35.888   14.990   7.7654   12.165   7.7654   12.165   0.0000   0.0000   35.888   14.990  ?   ?       ?      ? 
1 1 1  -10   20   62 o   48.830   16.745   22.780   13.360   22.780   13.360   0.0000   0.0000   48.830   16.745  ?   ?       ?      ? 
1 1 1  -10   20   63 o   29.326   13.489  -2.2238   12.318  -2.2238   12.318   0.0000   0.0000   29.326   13.489  ?   ?       ?      ? 
1 1 1  -10   20   64 o   29.010   13.347  -1.8984   12.071  -1.8984   12.071   0.0000   0.0000   29.010   13.347  ?   ?       ?      ? 
1 1 1  -10   20   65 o   38.438   15.645   12.678   12.804   12.678   12.804   0.0000   0.0000   38.438   15.645  ?   ?       ?      ? 
1 1 1  -10   20   66 o   31.757   13.948   4.6595   11.559   4.6595   11.559   0.0000   0.0000   31.757   13.948  ?   ?       ?      ? 
1 1 1  -10   21    1 o  108.525   7.4279   82.076   10.600   86.677   17.394   79.358   13.369  110.455   11.621  106.595   9.2547 3.859871 14.85586 
1 1 1  -10   21    2 o   65.140   10.780   31.880   9.1530   33.662   14.814   30.779   11.641   66.098   16.570   64.183   13.795 1.915543 21.56063 
1 1 1  -10   21    3 f   45.921   11.337   14.435   8.5268   15.566   13.647   13.711   10.921   47.540   16.879   44.303   15.140 3.236473 22.67453 
1 1 1  -10   21    4 o   73.558   8.2843   40.054   7.7207   44.112   10.000   34.066   12.148   79.477   9.2849   67.639   13.723 11.83875 16.56862 
1 1 1  -10   21    5 o  194.762   5.3221  262.602   13.918  265.412   18.542  258.977   21.066  196.229   6.9730  193.294   8.0421 2.934830 10.64418 
1 1 1  -10   21    6 o   81.617   7.4926   46.659   8.1095   45.599   10.402   48.300   12.948   80.748   9.5063   82.485   11.584 -1.736763 14.98515 
1 1 1  -10   21    7 o   54.731   9.8774   24.789   7.8305   31.301   9.3570   9.5679   14.305   66.706   10.351   42.756   16.826 23.95065 19.75471 
1 1 1  -10   21    8 o   68.894   9.6689   31.273   8.1479   24.644   9.6328   47.941   15.275   57.667   12.672   80.121   14.607 -22.45449 19.33779 
1 1 1  -10   21    9 o  106.594   7.4220   80.856   9.8094   82.201   11.791   77.833   17.680  108.902   7.9895  104.285   12.510 4.616867 14.84401 
1 1 1  -10   21   10 f   48.653   10.545   14.519   7.4107   8.7756   8.9004   27.502   13.381   37.424   13.589   59.882   16.129 -22.45828 21.08997 
1 1 1  -10   21   11 o  110.933   7.0729   84.014   9.9367   79.859   11.954   93.306   17.876  107.251   8.2246  114.616   11.509 -7.365196 14.14587 
1 1 1  -10   21   12 o   81.032   9.3101   45.908   10.223   45.908   10.223   0.0000   0.0000   81.032   9.3101  ?   ?       ?      ? 
1 1 1  -10   21   13 o   33.395   12.935   5.6638   8.3473   5.6638   8.3473   0.0000   0.0000   33.395   12.935  ?   ?       ?      ? 
1 1 1  -10   21   14 o   57.966   8.9764   30.369   8.1151   45.343   9.8613  -1.0479   14.284   80.580   9.0307   35.352   15.516 45.22801 17.95275 
1 1 1  -10   21   15 o   65.525   9.3639   30.918   7.7090   29.662   9.3734   33.543   13.552   64.774   10.679   66.276   15.385 -1.501549 18.72771 
1 1 1  -10   21   16 o   34.174   9.8039   3.4644   6.7787   0.8766   8.3014   8.6430   11.743   28.690   12.203   39.658   15.348 -10.96827 19.60784 
1 1 1  -10   21   17 o   58.025   10.054   24.289   7.5086   21.527   9.1795   29.873   13.053   53.672   12.800   62.378   15.508 -8.705727 20.10814 
1 1 1  -10   21   18 o   47.442   10.265   17.246   7.2864   20.040   9.0078   11.959   12.393   51.727   12.895   43.157   15.976 8.570324 20.53078 
1 1 1  -10   21   19 o   45.612   9.6368   15.912   7.2820   23.439   9.1190   2.6637   12.098   56.138   12.325   35.085   14.818 21.05300 19.27355 
1 1 1  -10   21   20 o   38.331   9.9478   9.1999   6.9790   12.650   8.7312   3.0953   11.614   41.852   13.515   34.810   14.600 7.042038 19.89561 
1 1 1  -10   21   21 o  102.477   7.3222   76.416   9.4651   80.738   11.676   68.135   16.164  107.715   7.9992   97.239   12.267 10.47638 14.64443 
1 1 1  -10   21   22 o   30.518   9.2733   0.3383   6.6094  -1.1463   8.1904   3.1101   11.191   26.777   11.751   34.259   14.349 -7.482576 18.54653 
1 1 1  -10   21   23 o   57.659   9.7169   26.576   7.5151   30.870   9.2498   18.237   12.890   65.959   10.348   49.360   16.449 16.59861 19.43390 
1 1 1  -10   21   24 o   49.047   10.618   17.925   7.4939   17.033   9.3366   19.540   12.564   47.480   13.731   50.613   16.199 -3.133091 21.23588 
1 1 1  -10   21   25 o   36.807   11.067   3.0545   9.6422   0.9551   14.580   4.6863   12.854   36.470   15.848   37.143   15.452 -0.6730995 22.13403 
1 1 1  -10   21   26 o   40.358   16.596   6.9692   14.592   6.9692   14.592   0.0000   0.0000   40.358   16.596  ?   ?       ?      ? 
1 1 1  -10   21   27 o   79.528   10.781   48.550   11.335   45.255   16.542   51.467   15.563   75.675   16.589   83.380   13.773 -7.705650 21.56110 
1 1 1  -10   21   28 o   89.313   9.6646   58.671   11.604   62.625   17.756   55.724   15.330   91.551   14.312   87.076   12.992 4.475433 19.32917 
1 1 1  -10   21   29 o   29.192   8.9487   0.1108   6.5479   3.0774   8.1123  -5.4351   11.092   30.115   12.378   28.268   12.927 1.847589 17.89747 
1 1 1  -10   21   30 o   38.772   9.8586   10.168   6.8954   13.949   8.5538   3.1514   11.652   43.084   13.309   34.460   14.548 8.623550 19.71722 
1 1 1  -10   21   31 o   36.348   9.6122   4.8167   6.1242   0.2919   7.2188   16.436   11.568   26.153   11.257   46.543   15.584 -20.39015 19.22443 
1 1 1  -10   21   32 o   34.006   9.0703   6.6806   6.1058   10.874   7.2311  -3.7351   11.397   38.481   12.286   29.532   13.346 8.948603 18.14060 
1 1 1  -10   21   33 o   39.311   9.1424   11.677   6.3215   16.735   7.4523  -1.3010   11.937   46.991   11.737   31.631   14.020 15.35970 18.28483 
1 1 1  -10   21   34 o   49.553   11.763   18.636   7.7811   18.636   7.7811   0.0000   0.0000   49.553   11.763  ?   ?       ?      ? 
1 1 1  -10   21   35 o   71.104   8.5391   35.778   8.2279   35.778   8.2279   0.0000   0.0000   71.104   8.5391  ?   ?       ?      ? 
1 1 1  -10   21   36 o   35.568   9.2387   8.2509   6.1732   11.994   7.4192  -0.1725   11.130   39.937   12.405   31.199   13.695 8.738121 18.47747 
1 1 1  -10   21   37 o   34.798   9.3359   2.3253   6.1100  -3.6206   7.2445   16.977   11.372   22.996   10.490   46.600   15.447 -23.60399 18.67172 
1 1 1  -10   21   38 o   83.948   8.2453   55.652   7.8959   60.302   9.4324   44.766   14.434   92.634   7.5140   75.262   14.679 17.37248 16.49053 
1 1 1  -10   21   39 o   67.011   8.7625   29.207   7.2454   21.995   8.4802   48.704   13.943   53.555   11.984   80.467   12.787 -26.91174 17.52497 
1 1 1  -10   21   40 o   39.023   9.0775   11.201   6.6354   18.201   8.0032  -4.1909   11.868   48.511   12.189   29.536   13.455 18.97507 18.15495 
1 1 1  -10   21   41 o   40.415   8.6624   3.6984   6.2240  -7.1252   7.4629   28.424   11.280   21.155   9.9808   59.676   14.161 -38.52140 17.32481 
1 1 1  -10   21   42 o   39.634   9.6929   11.953   6.5394   14.982   7.9028   5.3748   11.646   43.862   12.618   35.406   14.717 8.455521 19.38573 
1 1 1  -10   21   43 o   32.563   9.1776   5.4240   6.2635   8.7993   7.4769  -2.5184   11.470   35.296   12.498   29.829   13.443 5.466904 18.35525 
1 1 1  -10   21   44 o   27.137   12.534  -5.7011   10.796   0.0000   0.0000  -5.7011   10.796  ?   ?    27.137   12.534      ?      ? 
1 1 1  -10   21   45 o   44.565   10.944   14.823   9.1193   2.0034   13.958   24.369   12.045   35.072   15.367   54.058   15.586 -18.98611 21.88771 
1 1 1  -10   21   46 f   42.545   10.032   13.704   7.7115   21.892   10.071   2.1004   11.990   51.965   13.991   33.125   14.382 18.83992 20.06483 
1 1 1  -10   21   47 o   32.501   9.3536   0.1595   7.0643  -8.9002   9.1435   13.576   11.127   22.969   10.899   42.034   15.204 -19.06484 18.70728 
1 1 1  -10   21   48 o   35.106   9.9601   6.9105   7.3446   9.7287   9.5857   2.9039   11.429   37.280   14.000   32.932   14.170 4.347630 19.92015 
1 1 1  -10   21   49 f   29.121   9.1116  -1.1003   7.0409  -4.4673   9.1776   3.7162   10.977   25.272   11.631   32.970   14.028 -7.698162 18.22310 
1 1 1  -10   21   50 o   41.229   10.382   13.513   7.4560   16.212   9.4058   8.9496   12.231   44.533   13.989   37.925   15.344 6.607807 20.76355 
1 1 1  -10   21   51 o   28.375   12.379   0.8494   8.9700   0.8494   8.9700   0.0000   0.0000   28.375   12.379  ?   ?       ?      ? 
1 1 1  -10   21   52 o   25.542   11.640  -2.9938   8.8924  -2.9938   8.8924   0.0000   0.0000   25.542   11.640  ?   ?       ?      ? 
1 1 1  -10   21   53 o   30.679   12.931   3.6962   9.1828   3.6962   9.1828   0.0000   0.0000   30.679   12.931  ?   ?       ?      ? 
1 1 1  -10   21   54 o   29.638   13.530  -2.4083   12.084  -2.4083   12.084   0.0000   0.0000   29.638   13.530  ?   ?       ?      ? 
1 1 1  -10   21   55 o   59.934   16.590   33.185   13.932   33.185   13.932   0.0000   0.0000   59.934   16.590  ?   ?       ?      ? 
1 1 1  -10   21   56 o   58.001   16.781   31.819   13.941   31.819   13.941   0.0000   0.0000   58.001   16.781  ?   ?       ?      ? 
1 1 1  -10   21   57 o   24.977   11.941  -9.8021   11.400  -9.8021   11.400   0.0000   0.0000   24.977   11.941  ?   ?       ?      ? 
1 1 1  -10   21   58 o   49.679   16.768   24.350   13.395   24.350   13.395   0.0000   0.0000   49.679   16.768  ?   ?       ?      ? 
1 1 1  -10   21   59 o   38.828   15.674   12.751   12.733   12.751   12.733   0.0000   0.0000   38.828   15.674  ?   ?       ?      ? 
1 1 1  -10   21   60 o   30.452   13.708   1.6659   11.887   1.6659   11.887   0.0000   0.0000   30.452   13.708  ?   ?       ?      ? 
1 1 1  -10   21   61 o   33.690   14.501   7.2353   11.978   7.2353   11.978   0.0000   0.0000   33.690   14.501  ?   ?       ?      ? 
1 1 1  -10   21   62 o   40.626   15.893   16.693   12.698   16.693   12.698   0.0000   0.0000   40.626   15.893  ?   ?       ?      ? 
1 1 1  -10   22    1 o   28.923   8.5982  -3.6997   5.9099 -10.2843   7.2418   9.4300   10.226   19.300   9.3017   38.546   14.464 -19.24593 17.19639 
1 1 1  -10   22    2 o   40.910   9.6483   12.360   6.2928   14.149   7.9013   9.2575   10.406   43.306   12.663   38.514   14.560 4.791882 19.29650 
1 1 1  -10   22    3 o   37.979   8.3420   8.9684   6.2150   19.213   7.8642  -8.0729   10.143   50.532   11.713   25.427   11.881 25.10499 16.68410 
1 1 1  -10   22    4 o   43.093   9.9961   13.591   6.5531   13.127   8.1718   14.427   10.969   41.924   13.018   44.262   15.173 -2.337719 19.99224 
1 1 1  -10   22    5 o   38.332   10.824   7.5507   7.1249   7.4716   7.9102   7.8908   16.403   34.544   12.768   42.120   17.483 -7.575409 21.64890 
1 1 1  -10   22    6 o   55.167   11.151   18.412   7.5327   13.505   8.4314   37.816   16.767   42.476   13.229   67.859   17.955 -25.38337 22.30200 
1 1 1  -10   22    7 o   38.791   8.8637   10.190   7.1481   19.373   8.0477 -24.1355   15.559   50.674   11.919   26.909   13.122 23.76479 17.72741 
1 1 1  -10   22    8 o   35.763   9.6385   7.4112   6.3287   6.6525   8.0277   8.6569   10.287   33.700   12.777   37.826   14.434 -4.126080 19.27691 
1 1 1  -10   22    9 f   21.108   7.1319  -9.5097   5.6493  -7.1070   7.1574 -13.4797   9.2004   20.778   9.7942   21.438   10.370 -0.6604557 14.26372 
1 1 1  -10   22   10 o   47.172   10.207   16.552   6.3428   16.532   7.1395   16.626   13.817   46.924   11.351   47.419   16.968 -0.4952202 20.41491 
1 1 1  -10   22   11 o   46.707   10.080   10.479   6.1481   5.5158   6.8462   31.162   13.975   31.107   11.798   62.308   16.347 -31.20108 20.15977 
1 1 1  -10   22   12 o   67.867   8.5172   25.494   6.6017   18.433   7.3550   54.765   14.974   49.612   11.205   86.123   12.831 -36.51139 17.03435 
1 1 1  -10   22   13 o   51.674   9.8120   21.499   6.4582   22.834   7.3442   16.942   13.564   55.787   10.086   47.561   16.834 8.226147 19.62408 
1 1 1  -10   22   14 o   90.265   8.6999   68.294   8.0227   75.616   9.2503   46.072   16.116  104.411   6.5378   76.120   16.125 28.29105 17.39976 
1 1 1  -10   22   15 o   56.793   9.6901   25.638   6.6926   26.880   7.6320   21.505   13.924   61.560   9.1486   52.027   17.085 9.533077 19.38023 
1 1 1  -10   22   16 o   84.549   7.7233   49.807   7.4613   48.190   8.4754   55.380   15.731   83.011   7.5343   86.087   13.484 -3.075806 15.44652 
1 1 1  -10   22   17 o   43.064   10.209   13.620   6.4438   14.012   7.3601   12.331   13.335   43.017   12.112   43.112   16.438 -0.9513474E-01 20.41850 
1 1 1  -10   22   18 o   74.799   8.6653   39.629   7.3818   37.609   8.4635   46.050   15.091   72.970   8.5590   76.627   15.070 -3.657486 17.33061 
1 1 1  -10   22   19 o   48.023   10.206   16.953   6.5276   15.894   7.5532   20.079   12.974   45.695   12.032   50.352   16.490 -4.657143 20.41283 
1 1 1  -10   22   20 o   25.202   8.1435  -3.5612   5.9355  -0.3334   6.9124 -12.6208   11.581   25.011   10.890   25.394   12.111 -0.3834267 16.28706 
1 1 1  -10   22   21 o   37.943   10.059   5.8876   7.4150  -1.7219   9.4725   17.929   11.916   27.984   12.442   47.902   15.809 -19.91776 20.11773 
1 1 1  -10   22   22 o   56.124   10.219   26.012   8.1088   32.542   10.603   16.812   12.586   65.461   12.406   46.787   16.241 18.67361 20.43738 
1 1 1  -10   22   23 o   57.172   9.8040   24.401   6.8888   22.895   8.0578   28.492   13.280   55.214   11.153   59.130   16.127 -3.916290 19.60793 
1 1 1  -10   22   24 o   72.921   9.1840   45.226   7.5110   51.118   8.8664   30.251   14.135   85.289   7.6714   60.554   16.689 24.73492 18.36795 
1 1 1  -10   22   25 o   73.354   7.8703   35.752   7.0840   31.343   8.2216   48.463   13.958   66.256   9.1569   80.451   12.803 -14.19542 15.74065 
1 1 1  -10   22   26 o   43.812   9.3614   8.6506   6.1928   1.2859   7.2005   29.578   12.138   26.840   11.389   60.784   14.860 -33.94360 18.72272 
1 1 1  -10   22   27 o   40.350   9.7038   12.395   6.2274   14.191   7.2653   7.4219   12.090   43.034   12.004   37.666   15.250 5.368076 19.40752 
1 1 1  -10   22   28 o   26.750   8.3897  -0.8967   5.8683   2.0016   6.8724  -8.6990   11.276   26.991   11.269   26.509   12.432 0.4813499 16.77937 
1 1 1  -10   22   29 o   25.015   10.876  -0.0999   6.8745  -0.0999   6.8745   0.0000   0.0000   25.015   10.876  ?   ?       ?      ? 
1 1 1  -10   22   30 o   32.587   12.117   6.7542   7.1451   6.7542   7.1451   0.0000   0.0000   32.587   12.117  ?   ?       ?      ? 
1 1 1  -10   22   31 o   35.754   9.3582   8.6632   6.1746   11.691   7.2432   0.6109   11.812   39.247   12.267   32.261   14.136 6.986610 18.71644 
1 1 1  -10   22   32 o   45.199   10.174   15.829   6.5788   15.777   7.7071   15.969   12.629   45.064   12.284   45.334   16.222 -0.2707138 20.34849 
1 1 1  -10   22   33 o   31.289   13.094   3.3228   9.3083   3.3228   9.3083   0.0000   0.0000   31.289   13.094  ?   ?       ?      ? 
1 1 1  -10   22   34 o   27.182   12.105  -1.4497   9.0035  -1.4497   9.0035   0.0000   0.0000   27.182   12.105  ?   ?       ?      ? 
1 1 1  -10   22   35 o   32.204   9.4363   3.8481   6.1951   2.6936   7.3435   6.6981   11.538   28.190   11.699   36.218   14.809 -8.028284 18.87259 
1 1 1  -10   22   36 o   41.358   9.1877   14.027   6.6349   19.969   7.8718  -0.5518   12.330   50.816   11.676   31.899   14.189 18.91746 18.37539 
1 1 1  -10   22   37 o   77.891   7.8386   43.623   7.5950   41.425   9.0247   48.959   14.062   75.924   8.7715   79.858   12.994 -3.934868 15.67714 
1 1 1  -10   22   38 o   40.009   9.9761   12.048   6.5078   12.458   7.8733   11.163   11.563   40.097   12.822   39.921   15.286 0.1759605 19.95212 
1 1 1  -10   22   39 f   27.071   8.8756  -6.3139   7.8333 -11.0545   11.957  -2.7497   10.368   26.077   12.400   28.065   12.702 -1.988611 17.75118 
1 1 1  -10   22   40 o   32.642   9.4836   4.3677   7.0225   8.7640   9.2135  -1.7271   10.848   36.041   13.682   29.243   13.136 6.797871 18.96730 
1 1 1  -10   22   41 o   54.672   10.246   25.404   7.7426   28.150   9.9087   21.099   12.407   59.620   12.656   49.724   16.117 9.895630 20.49194 
1 1 1  -10   22   42 o   34.270   9.3951   6.6055   6.7500   12.213   8.8274  -1.2903   10.474   39.619   13.610   28.921   12.955 10.69762 18.79013 
1 1 1  -10   22   43 o   27.384   8.7102  -1.5988   6.5961  -1.7091   8.3916  -1.4205   10.670   25.764   11.564   29.004   13.028 -3.240709 17.42039 
1 1 1  -10   22   44 o   27.638   8.6678  -1.2992   6.7244   3.5135   8.6653  -8.5844   10.661   30.148   12.626   25.129   11.878 5.018169 17.33555 
1 1 1  -10   22   45 o   57.018   10.132   24.957   7.7564   17.076   9.6187   39.608   13.116   45.210   14.138   68.826   14.519 -23.61589 20.26497 
1 1 1  -10   22   46 o   35.275   15.277   4.7843   13.460   4.7843   13.460   0.0000   0.0000   35.275   15.277  ?   ?       ?      ? 
1 1 1  -10   22   47 o   19.945   9.9984 -28.3904   11.624 -28.3904   11.624   0.0000   0.0000   19.945   9.9984  ?   ?       ?      ? 
1 1 1  -10   22   48 o   37.883   15.696   9.4521   13.186   9.4521   13.186   0.0000   0.0000   37.883   15.696  ?   ?       ?      ? 
1 1 1  -10   22   49 o   25.360   12.091  -9.6790   11.521  -9.6790   11.521   0.0000   0.0000   25.360   12.091  ?   ?       ?      ? 
1 1 1  -10   22   50 f   40.383   16.159   13.323   13.403   13.323   13.403   0.0000   0.0000   40.383   16.159  ?   ?       ?      ? 
1 1 1  -10   22   51 o   41.966   16.102   15.703   12.846   15.703   12.846   0.0000   0.0000   41.966   16.102  ?   ?       ?      ? 
1 1 1  -10   22   52 o   34.981   14.862   7.4944   12.287   7.4944   12.287   0.0000   0.0000   34.981   14.862  ?   ?       ?      ? 
1 1 1  -10   22   53 o   25.607   12.196  -8.2196   11.664  -8.2196   11.664   0.0000   0.0000   25.607   12.196  ?   ?       ?      ? 
1 1 1  -10   22   54 o   50.130   16.997   26.228   13.763   26.228   13.763   0.0000   0.0000   50.130   16.997  ?   ?       ?      ? 
1 1 1  -10   22   55 o   28.056   13.067  -2.8469   12.108  -2.8469   12.108   0.0000   0.0000   28.056   13.067  ?   ?       ?      ? 
1 1 1  -10   22   56 o   32.348   14.386   4.9900   12.672   4.9900   12.672   0.0000   0.0000   32.348   14.386  ?   ?       ?      ? 
1 1 1  -10   23    1 f   36.143   9.9248   7.6810   7.0419   4.8643   9.8689   10.603   10.051   33.311   13.667   38.974   14.395 -5.663494 19.84950 
1 1 1  -10   23    2 o   32.874   9.5211   3.2412   7.0924  -2.8949   9.8968   9.7197   10.169   27.607   12.460   38.141   14.400 -10.53408 19.04225 
1 1 1  -10   23    3 o   53.947   10.062   23.390   8.0679   12.021   11.455   34.579   11.365   41.154   15.334   66.740   13.033 -25.58615 20.12491 
1 1 1  -10   23    4 o   65.330   9.6126   33.629   8.2164   31.847   12.019   35.192   11.258   63.148   14.368   67.511   12.773 -4.363056 19.22513 
1 1 1  -10   23    5 o   52.900   10.295   22.732   7.6859   19.275   11.315   25.693   10.472   48.863   15.343   56.938   13.732 -8.075115 20.59033 
1 1 1  -10   23    6 o   67.941   9.3526   35.753   8.2891   39.904   12.160   32.150   11.329   71.864   12.963   64.018   13.485 7.845589 18.70529 
1 1 1  -10   23    7 o   45.495   10.551   16.315   7.4992   16.444   10.981   16.202   10.266   45.654   15.181   45.336   14.657 0.3177032 21.10177 
1 1 1  -10   23    8 o   40.073   10.325   11.426   7.2901   13.237   10.523   9.7545   10.109   42.009   14.832   38.137   14.367 3.871918 20.64911 
1 1 1  -10   23    9 o   33.368   8.8454   5.1651   6.5978   13.012   7.8542 -13.6470   12.161   41.164   12.759   25.573   12.254 15.59105 17.69083 
1 1 1  -10   23   10 o   43.927   9.3122   16.080   6.9119   22.705   8.3111   1.2202   12.447   54.504   11.608   33.350   14.564 21.15462 18.62443 
1 1 1  -10   23   11 o   26.443   8.3280  -2.8267   6.3960   3.0412   7.6730 -16.1884   11.578   29.064   12.002   23.822   11.549 5.242491 16.65609 
1 1 1  -10   23   12 o   48.718   10.662   17.660   7.1390   15.463   8.3806   23.470   13.629   44.476   13.052   52.961   16.864 -8.484467 21.32451 
1 1 1  -10   23   13 f   23.350   7.8612  -8.0195   6.0818  -7.3404   7.1691  -9.7631   11.487   20.478   9.6979   26.223   12.375 -5.745041 15.72235 
1 1 1  -10   23   14 o   25.221   8.2803  -4.9896   6.3521  -3.0949   7.5528  -9.5688   11.742   23.792   10.797   26.649   12.557 -2.857624 16.56064 
1 1 1  -10   23   15 o   41.558   10.129   9.3284   7.1994   1.8781   8.8654   23.756   12.337   29.556   12.592   53.559   15.869 -24.00254 20.25793 
1 1 1  -10   23   16 o   41.869   10.636   12.679   7.4369   11.270   9.2691   15.224   12.459   39.232   13.913   44.505   16.090 -5.273388 21.27130 
1 1 1  -10   23   17 o   41.991   9.9420   13.549   6.3036   14.176   7.3412   11.787   12.299   42.783   12.114   41.199   15.768 1.584541 19.88398 
1 1 1  -10   23   18 o   33.771   9.3023   6.9221   5.8485   8.5826   6.7119   1.6845   11.920   34.574   11.868   32.968   14.328 1.605972 18.60470 
1 1 1  -10   23   19 o   49.533   9.8653   17.437   6.1658   14.896   7.0835   25.383   12.525   43.898   11.697   55.168   15.890 -11.27035 19.73061 
1 1 1  -10   23   20 o   41.765   9.2862   14.555   6.1692   17.983   7.0969   3.9534   12.480   48.504   11.045   35.025   14.932 13.47964 18.57244 
1 1 1  -10   23   21 o   49.282   9.9953   19.560   6.4272   19.985   7.3105   18.116   13.488   51.260   10.862   47.304   16.783 3.956509 19.99070 
1 1 1  -10   23   22 o   37.449   9.9034   7.1069   6.0831   3.8983   7.0087   16.905   12.248   28.973   11.652   45.926   16.017 -16.95288 19.80684 
1 1 1  -10   23   23 o   30.770   9.1997   3.3244   6.0687   4.5299   6.9803  -0.4079   12.283   29.618   11.722   31.922   14.182 -2.304415 18.39949 
1 1 1  -10   23   24 o   48.776   11.716   18.466   7.6472   18.466   7.6472   0.0000   0.0000   48.776   11.716  ?   ?       ?      ? 
1 1 1  -10   23   25 o   28.912   11.709   3.7490   7.1309   3.7490   7.1309   0.0000   0.0000   28.912   11.709  ?   ?       ?      ? 
1 1 1  -10   23   26 f   47.151   8.2158   20.619   6.6187   29.681   7.7039  -4.9224   12.933   64.189   8.8566   30.114   13.840 34.07534 16.43150 
1 1 1  -10   23   27 f   31.289   9.4357  -0.0379   6.8926  -4.9538   8.4775   9.5495   11.839   23.998   11.093   38.579   15.267 -14.58043 18.87143 
1 1 1  -10   23   28 o   31.476   9.4834   2.9625   7.0274   4.7566   8.7719  -0.2519   11.742   31.711   12.933   31.241   13.873 0.4706326 18.96684 
1 1 1  -10   23   29 o   37.484   10.119   8.1237   7.1385   3.6057   9.0564   15.536   11.600   30.945   12.930   44.024   15.569 -13.07879 20.23804 
1 1 1  -10   23   30 o   43.710   10.012   15.474   7.6402   22.808   9.7825   4.0043   12.234   53.006   13.563   34.413   14.730 18.59299 20.02320 
1 1 1  -10   23   31 o   51.633   10.666   21.863   7.7485   19.691   9.8105   25.465   12.633   48.921   14.055   54.345   16.047 -5.424011 21.33150 
1 1 1  -10   23   32 o   40.319   10.352   12.562   7.2904   13.880   9.2668   10.422   11.810   41.688   13.948   38.951   15.301 2.736866 20.70430 
1 1 1  -10   23   33 o   37.846   10.720   9.1086   8.3669   11.212   12.105   7.1842   11.578   39.691   15.520   36.000   14.790 3.691044 21.43909 
1 1 1  -10   23   34 o   46.882   11.091   17.994   8.9470   8.5019   12.692   27.371   12.614   37.699   15.487   56.064   15.881 -18.36480 22.18215 
1 1 1  -10   23   35 o   37.516   10.860   8.6436   8.7707   7.7208   13.189   9.3752   11.744   37.324   15.600   37.707   15.112 -0.3825989 21.71959 
1 1 1  -10   23   36 o   37.875   10.815   8.9503   8.4666   13.003   13.270   6.1676   10.995   41.297   16.220   34.452   14.308 6.845219 21.62932 
1 1 1  -10   23   37 f   23.233   7.9217 -14.4095   7.7322 -25.9375   11.947  -6.0987   10.143   20.992   10.464   25.474   11.896 -4.481493 15.84339 
1 1 1  -10   23   38 o   33.211   10.197   2.2224   8.5213   9.1483   13.207  -2.7167   11.153   37.945   15.714   28.478   13.000 9.467632 20.39414 
1 1 1  -10   23   39 o   51.628   11.152   23.875   9.5696   10.445   13.840   36.177   13.246   39.030   16.118   64.226   15.415 -25.19586 22.30314 
1 1 1  -10   23   40 o   32.403   9.9629   2.0217   8.5958  -6.6385   12.969   8.8072   11.480   28.409   13.326   36.396   14.814 -7.987473 19.92580 
1 1 1  -10   23   41 o   41.377   16.514   14.094   13.959   14.094   13.959   0.0000   0.0000   41.377   16.514  ?   ?       ?      ? 
1 1 1  -10   23   42 o   34.296   15.205   3.7745   14.047   3.7745   14.047   0.0000   0.0000   34.296   15.205  ?   ?       ?      ? 
1 1 1  -10   23   43 f   37.044   15.556   9.2625   13.210   9.2625   13.210   0.0000   0.0000   37.044   15.556  ?   ?       ?      ? 
1 1 1  -10   23   44 f   36.270   15.416   8.4813   13.231   8.4813   13.231   0.0000   0.0000   36.270   15.416  ?   ?       ?      ? 
1 1 1  -10   23   45 o   34.248   14.934   5.9184   13.042   5.9184   13.042   0.0000   0.0000   34.248   14.934  ?   ?       ?      ? 
1 1 1  -10   23   46 o   36.811   15.490   10.101   13.143   10.101   13.143   0.0000   0.0000   36.811   15.490  ?   ?       ?      ? 
1 1 1  -10   23   47 o   35.111   15.093   8.1703   12.942   8.1703   12.942   0.0000   0.0000   35.111   15.093  ?   ?       ?      ? 
1 1 1  -10   23   48 o   21.765   10.763 -18.8150   11.689 -18.8150   11.689   0.0000   0.0000   21.765   10.763  ?   ?       ?      ? 
1 1 1  -10   24    1 o   28.460   9.1773  -3.0722   7.6700  -2.1934   9.7584  -4.4925   12.406   27.446   12.382   29.473   13.549 -2.026899 18.35457 
1 1 1  -10   24    2 o   35.596   10.311   4.8722   7.9225  -0.4473   10.066   13.531   12.843   28.981   12.859   42.211   16.123 -13.22939 20.62274 
1 1 1  -10   24    3 o   60.150   11.360   30.350   9.3247   26.067   12.058   36.723   14.708   55.347   15.474   64.954   16.636 -9.606403 22.72008 
1 1 1  -10   24    4 o   31.571   9.6484   1.2755   7.8624   6.6267   10.498  -5.5616   11.866   34.836   14.171   28.306   13.098 6.530022 19.29681 
1 1 1  -10   24    5 o   28.670   9.2358  -3.3148   7.7844  -4.6448   10.184  -1.4456   12.073   26.595   12.245   30.745   13.830 -4.149832 18.47165 
1 1 1  -10   24    6 o   33.655   9.2963   1.2045   6.9974   16.366   10.936  -9.3049   9.1051   44.685   15.151   22.626   10.776 22.05887 18.59268 
1 1 1  -10   24    7 f   38.078   9.6119   8.2563   7.7941  -8.9816   12.322   19.753   10.063   27.284   12.858   48.871   14.291 -21.58733 19.22383 
1 1 1  -10   24    8 o   29.815   13.573  -3.0682   12.054   0.0000   0.0000  -3.0682   12.054  ?   ?    29.815   13.573      ?      ? 
1 1 1  -10   24    9 o   37.039   10.759   7.5162   8.7356   10.264   12.213   4.6379   12.500   39.090   15.495   34.987   14.930 4.103355 21.51736 
1 1 1  -10   24   10 o   32.351   9.9975   1.4025   8.3764  -1.8913   11.756   4.7996   11.939   30.104   13.584   34.597   14.672 -4.492561 19.99500 
1 1 1  -10   24   11 o   47.434   10.283   16.446   7.0787   10.991   8.6453   27.542   12.330   38.091   13.444   56.776   15.563 -18.68504 20.56560 
1 1 1  -10   24   12 o   27.218   8.6516  -3.3752   6.3304  -6.9733   7.7622   3.7707   10.939   21.547   10.170   32.888   13.999 -11.34111 17.30313 
1 1 1  -10   24   13 o   39.063   9.1333   10.873   6.9918   20.250   8.8070  -5.1127   11.499   50.111   12.894   28.015   12.939 22.09574 18.26665 
1 1 1  -10   24   14 o   41.871   9.5313   13.798   7.2771   22.324   9.2736   0.1326   11.740   52.523   13.079   31.220   13.868 21.30275 19.06251 
1 1 1  -10   24   15 o   30.549   9.2433   1.6727   6.6424  -1.2707   8.3826   6.6395   10.889   26.067   11.639   35.031   14.362 -8.963718 18.48652 
1 1 1  -10   24   16 o   29.082   8.7421  -3.1104   6.3776 -11.1183   8.0442   10.441   10.464   20.009   9.6824   38.154   14.558 -18.14583 17.48417 
1 1 1  -10   24   17 o   33.022   9.0200   4.1690   6.8733   13.644   8.8746 -10.0341   10.865   41.241   13.644   24.802   11.802 16.43937 18.04003 
1 1 1  -10   24   18 o   23.305   10.835  -5.2211   8.2669  -5.2211   8.2669   0.0000   0.0000   23.305   10.835  ?   ?       ?      ? 
1 1 1  -10   24   19 f   41.285   13.787   13.745   9.0537   13.745   9.0537   0.0000   0.0000   41.285   13.787  ?   ?       ?      ? 
1 1 1  -10   24   20 o   35.038   9.7951   6.5941   6.9451   2.1892   9.0258   12.988   10.874   29.415   12.623   40.661   14.981 -11.24593 19.59011 
1 1 1  -10   24   21 o   26.957   8.6009  -2.0316   6.7017   0.5962   8.7120  -5.8404   10.489   27.758   12.152   26.155   12.175 1.602930 17.20171 
1 1 1  -10   24   22 o   25.486   8.3069  -4.0619   6.5658  -2.9660   8.4669  -5.7149   10.399   24.904   11.352   26.068   12.130 -1.163811 16.61375 
1 1 1  -10   24   23 o   48.043   10.386   20.357   7.6484   24.059   9.7397   14.403   12.353   53.936   13.388   42.150   15.881 11.78599 20.77128 
1 1 1  -10   24   24 o   53.419   10.267   25.807   8.0050   31.489   10.195   16.670   12.927   62.617   12.453   44.220   16.327 18.39717 20.53376 
1 1 1  -10   24   25 o   26.802   8.6797  -3.1199   6.9822  -3.0575   9.0384  -3.2124   10.995   25.576   11.686   28.028   12.837 -2.451420 17.35943 
1 1 1  -10   24   26 o   31.877   9.4210   4.3564   7.0361   8.1926   9.0547  -1.4903   11.179   34.600   13.453   29.154   13.193 5.445745 18.84192 
1 1 1  -10   24   27 o   24.607   8.1716  -6.6525   6.9396  -3.6737   8.9630 -11.1106   10.965   25.020   11.507   24.195   11.605 0.8247108 16.34311 
1 1 1  -10   24   28 o   45.498   11.555   18.305   9.0480   21.541   13.538   15.692   12.164   48.221   16.838   42.775   15.829 5.445957 23.10958 
1 1 1  -10   24   29 o   28.126   8.9132  -0.7913   7.1232   2.5673   9.2273  -5.7446   11.206   29.499   12.713   26.753   12.497 2.746376 17.82644 
1 1 1  -10   24   30 o   36.844   10.428   3.3831   8.7299   22.272   13.892  -8.9441   11.223   48.422   17.048   25.265   12.014 23.15764 20.85538 
1 1 1  -10   24   31 o   35.032   10.567   6.4832   8.7720   8.1521   13.356   5.2172   11.633   36.606   15.521   33.459   14.344 3.146908 21.13381 
1 1 1  -10   24   32 o   28.214   9.1857  -3.0786   8.1442  -7.3376   12.665  -0.0761   10.634   27.482   12.977   28.947   13.004 -1.465702 18.37146 
1 1 1  -10   24   33 o   31.329   9.9225   1.2861   8.6045   3.5068   13.089  -0.4039   11.418   33.192   14.698   29.465   13.334 3.727005 19.84498 
1 1 1  -10   24   34 o   22.316   10.865 -13.6566   10.546   0.0000   0.0000 -13.6566   10.546  ?   ?    22.316   10.865      ?      ? 
1 1 1  -10   24   35 o   44.590   15.879   18.865   12.086   0.0000   0.0000   18.865   12.086  ?   ?    44.590   15.879      ?      ? 
1 1 1  -10   24   36 o   35.906   14.777   9.5327   11.582   0.0000   0.0000   9.5327   11.582  ?   ?    35.906   14.777      ?      ? 
1 1 1  -10   25    1 o   37.706   15.500   10.310   12.723   0.0000   0.0000   10.310   12.723  ?   ?    37.706   15.500      ?      ? 
1 1 1  -10   25    2 o   35.879   10.778   7.4469   9.2005   4.6186   13.116   10.187   12.910   34.048   14.908   37.711   15.570 -3.663082 21.55589 
1 1 1  -10   25    3 o   42.199   11.395   15.431   9.2530   19.910   12.984   10.809   13.190   46.090   16.453   38.307   15.768 7.783318 22.78917 
1 1 1  -10   25    4 o   31.298   9.8349   1.4963   8.3936  -1.3330   11.648   4.5520   12.105   29.314   13.344   33.281   14.451 -3.966785 19.66981 
1 1 1  -10   25    5 o   46.057   10.338   16.258   8.8591  -0.2494   12.277   34.193   12.797   30.531   13.820   61.582   15.380 -31.05163 20.67675 
1 1 1  -10   25    6 o   31.912   9.7300   1.6264   8.0858   10.844   11.704  -6.7902   11.184   37.771   15.105   26.053   12.269 11.71884 19.45996 
1 1 1  -10   25    7 o   40.268   10.858   12.354   8.4889   20.785   12.804   5.7419   11.339   47.007   16.378   33.529   14.262 13.47814 21.71692 
1 1 1  -10   25    8 o   29.352   9.3927  -0.6742   8.0191  -2.1618   11.859   0.5789   10.885   29.072   13.321   29.632   13.245 -0.5604000 18.78530 
1 1 1  -10   25    9 o   48.300   10.936   21.050   8.9535   9.8129   12.763   31.937   12.563   37.348   15.455   59.252   15.477 -21.90451 21.87257 
1 1 1  -10   25   10 o   39.784   10.945   13.126   8.5044   11.632   12.148   14.562   11.909   38.517   15.394   41.052   15.563 -2.534691 21.89006 
1 1 1  -10   25   11 o   50.113   16.462   24.016   12.928   24.016   12.928   0.0000   0.0000   50.113   16.462  ?   ?       ?      ? 
1 1 1  -10   25   12 o   28.118   13.029  -3.7731   11.801  -3.7731   11.801   0.0000   0.0000   28.118   13.029  ?   ?       ?      ? 
1 1 1  -10   25   13 o   28.389   9.2255  -4.7732   8.3133   4.0736   12.211 -12.4159   11.350   32.901   14.396   23.878   11.542 9.023546 18.45102 
1 1 1  -10   25   14 o   32.681   9.9522   4.3746   8.2074  -1.1829   12.497   8.5903   10.884   30.071   13.740   35.290   14.401 -5.218307 19.90436 
1 1 1  -10   25   15 o   39.991   10.403   9.6978   8.4507   26.097   12.870  -2.7308   11.204   52.067   16.365   27.915   12.849 24.15214 20.80655 
1 1 1  -10   25   16 o   36.250   10.326   6.6286   8.2722   18.966   12.758  -2.3194   10.866   44.771   16.268   27.729   12.723 17.04145 20.65182 
1 1 1  -10   25   17 f   49.484   11.699   23.930   9.2006   24.135   13.710   23.763   12.410   49.256   16.959   49.712   16.119 -0.4562263 23.39741 
1 1 1  -10   25   18 o   29.556   9.4737  -0.7678   8.0444   3.8437   12.635  -3.9114   10.432   32.807   14.489   26.305   12.210 6.502871 18.94748 
1 1 1  -10   25   19 o   35.990   10.494   6.5786   8.5949   18.214   13.351  -1.6565   11.232   43.636   16.493   28.344   12.979 15.29209 20.98787 
1 1 1  -10   25   20 o   49.024   11.071   23.518   9.1265   12.722   13.672   32.195   12.258   39.093   16.068   58.956   15.233 -19.86297 22.14128 
1 1 1  -10   25   21 o   61.692   11.156   35.028   9.7445   52.042   14.978   22.541   12.832   75.741   15.122   47.643   16.407 28.09790 22.31254 
1 1 1  -10   25   22 o   33.383   10.115   5.6779   8.5170  -1.4626   13.157   10.829   11.175   30.051   13.865   36.714   14.732 -6.663023 20.23048 
1 1 1  -10   25   23 o   27.217   8.8677  -3.5470   7.9072 -13.1208   12.551   2.7540   10.182   24.683   11.980   29.750   13.078 -5.066931 17.73545 
1 1 1  -10   25   24 o   31.489   13.796   4.1749   11.247   0.0000   0.0000   4.1749   11.247  ?   ?    31.489   13.796      ?      ? 
1 1 1  -10   25   25 o   33.060   14.244   6.3260   11.581   0.0000   0.0000   6.3260   11.581  ?   ?    33.060   14.244      ?      ? 
1 1 1  -10   25   26 o   35.400   14.775   9.5792   11.809   0.0000   0.0000   9.5792   11.809  ?   ?    35.400   14.775      ?      ? 
1 1 1  -10   25   27 o   41.997   15.634   17.467   11.902   0.0000   0.0000   17.467   11.902  ?   ?    41.997   15.634      ?      ? 
1 1 1  -10   25   28 o   36.235   14.890   11.098   11.736   0.0000   0.0000   11.098   11.736  ?   ?    36.235   14.890      ?      ? 
1 1 1  -10   25   29 o   37.946   15.076   13.412   11.586   0.0000   0.0000   13.412   11.586  ?   ?    37.946   15.076      ?      ? 
1 1 1   -9    0    1 o  861.821   13.962  5024.37  162.464  4711.87  220.487  5395.58  240.307  832.617   19.566  891.025   19.924 -0.000000 0.000000 
1 1 1   -9    0    2 o  541.311   9.4241  1990.30   69.035  1982.70   97.425  1997.96   97.838  540.272   13.325  542.350   13.330 -0.000000 0.000000 
1 1 1   -9    0    3 o  639.033   10.767  2771.89   93.085  2695.00  129.450  2854.22  133.949  629.852   15.186  648.213   15.268 -0.000000 0.000000 
1 1 1   -9    0    4 o  456.119   8.3195  1411.96   51.324  1366.02   71.377  1461.14   73.852  448.428   11.764  463.810   11.767 -0.000000 0.000000 
1 1 1   -9    0    5 o  455.447   8.3179  1407.36   51.229  1354.50   71.040  1464.63   73.946  446.531   11.758  464.364   11.768 -0.000000 0.000000 
1 1 1   -9    0    6 o  647.290   15.402  2846.23  134.931   0.0000   0.0000  2846.23  134.931  647.290   15.402  647.290   15.402 -0.000000 0.000000 
1 1 1   -9    0    7 o  556.503   13.646  2103.65  102.769   0.0000   0.0000  2103.65  102.769  556.503   13.646  556.503   13.646 -0.000000 0.000000 
1 1 1   -9    0    8 o  898.784   20.506  5490.79  249.464   0.0000   0.0000  5490.79  249.464  898.784   20.506  898.784   20.506 -0.000000 0.000000 
1 1 1   -9    0    9 o  680.538   11.375  3145.62  104.759  3093.14  146.679  3200.25  149.668  674.739   16.062  686.336   16.112 -0.000000 0.000000 
1 1 1   -9    0   10 o  296.723   6.4916  598.452   26.045  590.755   36.717  606.247   36.950  294.794   9.2115  298.652   9.1494 -0.000000 0.000000 
1 1 1   -9    0   11 o  312.845   6.6710  665.119   28.222  673.377   40.179  657.076   39.649  314.766   9.4387  310.923   9.4298 -0.000000 0.000000 
1 1 1   -9    0   12 o  239.661   5.9859  390.625   19.382  398.934   27.705  382.660   27.126  242.166   8.4658  237.157   8.4649 -0.000000 0.000000 
1 1 1   -9    0   13 o  135.022   5.4812  124.606   9.9439  132.141   14.341  117.628   13.800  139.001   7.6667  131.042   7.8354 -0.000000 0.000000 
1 1 1   -9    0   14 f  527.262   9.2978  1888.79   66.340  1884.15   93.765  1893.44   93.873  526.611   13.158  527.912   13.140 -0.000000 0.000000 
1 1 1   -9    0   15 o  930.243   21.205  5886.45  266.992  5886.45  266.992   0.0000   0.0000  930.243   21.205  930.243   21.205 -0.000000 0.000000 
1 1 1   -9    0   16 o  878.292   20.142  5247.02  239.450  5247.02  239.450   0.0000   0.0000  878.292   20.142  878.292   20.142 -0.000000 0.000000 
1 1 1   -9    0   17 o  416.619   7.9077  1178.98   44.562  1206.75   63.818  1152.56   62.252  421.413   11.193  411.825   11.173 -0.000000 0.000000 
1 1 1   -9    0   18 o  491.802   8.8587  1643.34   58.946  1669.78   84.113  1617.82   82.632  495.694   12.540  487.909   12.516 -0.000000 0.000000 
1 1 1   -9    0   19 o  403.927   7.7630  1108.42   42.413  1132.91   60.723  1085.09   59.266  408.289   10.993  399.564   10.964 -0.000000 0.000000 
1 1 1   -9    0   20 o  195.589   5.7697  260.735   15.228  254.956   21.577  266.469   21.495  193.403   8.2672  197.774   8.0506 -0.000000 0.000000 
1 1 1   -9    0   21 o  390.649   7.6174  1037.26   40.254  1025.52   56.778  1049.13   57.080  388.416   10.806  392.881   10.739 -0.000000 0.000000 
1 1 1   -9    0   22 o  157.400   5.6825  169.358   12.040  165.969   17.239  172.585   16.823  155.821   8.2160  158.980   7.8524 -0.000000 0.000000 
1 1 1   -9    0   23 o  546.914   9.6022  2033.40   71.067  2024.68  100.472  2042.14  100.535  545.734   13.605  548.093   13.554 -0.000000 0.000000 
1 1 1   -9    0   24 f  775.069   12.771  4086.29  133.958  4146.31  191.416  4028.69  187.533  780.644   18.116  769.494   18.006 -0.000000 0.000000 
1 1 1   -9    0   25 o  635.817   10.814  2748.69   93.057  2751.79  131.916  2745.62  131.290  636.171   15.322  635.464   15.266 -0.000000 0.000000 
1 1 1   -9    0   26 o  378.411   7.5137  973.299   38.460  973.593   54.613  973.010   54.172  378.463   10.668  378.359   10.584 -0.000000 0.000000 
1 1 1   -9    0   27 o  593.093   10.239  2389.70   82.161  2442.03  117.911  2340.32  114.548  599.404   14.536  586.781   14.425 -0.000000 0.000000 
1 1 1   -9    0   28 o  592.959   14.465  2389.56  116.075   0.0000   0.0000  2389.56  116.075  592.959   14.465  592.959   14.465 -0.000000 0.000000 
1 1 1   -9    0   29 o  692.752   16.414  3261.89  153.891   0.0000   0.0000  3261.89  153.891  692.752   16.414  692.752   16.414 -0.000000 0.000000 
1 1 1   -9    0   30 o  746.473   12.386  3786.43  125.118  3847.85  178.968  3727.71  174.986  752.395   17.574  740.552   17.459 -0.000000 0.000000 
1 1 1   -9    0   31 o  535.539   9.5010  1948.40   68.850  1963.08   97.997  1934.08   96.752  537.532   13.472  533.547   13.401 -0.000000 0.000000 
1 1 1   -9    0   32 o  847.177   13.825  4878.87  158.523  4862.70  223.900  4895.12  224.472  845.767   19.559  848.588   19.544 -0.000000 0.000000 
1 1 1   -9    0   33 o  739.805   12.300  3719.28  123.159  3729.06  174.688  3709.61  173.662  740.770   17.424  738.839   17.367 -0.000000 0.000000 
1 1 1   -9    0   34 o  428.677   8.2129  1247.18   47.604  1298.42   68.641  1199.70   66.077  437.171   11.605  420.184   11.625 -0.000000 0.000000 
1 1 1   -9    0   35 o  538.412   13.556  1969.42   98.762  1969.42   98.762   0.0000   0.0000  538.412   13.556  538.412   13.556 -0.000000 0.000000 
1 1 1   -9    0   36 o  504.761   9.1256  1730.89   62.328  1736.44   88.465  1725.43   87.827  505.562   12.932  503.960   12.879 -0.000000 0.000000 
1 1 1   -9    0   37 o  582.896   10.162  2307.69   80.147  2347.68  114.658  2269.48  112.077  587.837   14.413  577.955   14.330 -0.000000 0.000000 
1 1 1   -9    0   38 o  749.797   12.469  3819.70  126.509  3883.73  181.022  3758.57  176.873  755.940   17.693  743.654   17.573 -0.000000 0.000000 
1 1 1   -9    0   39 o  823.936   13.524  4615.08  150.817  4632.51  214.098  4597.91  212.486  825.478   19.163  822.395   19.090 -0.000000 0.000000 
1 1 1   -9    0   40 o  248.057   6.4704  418.167   21.666  434.895   31.419  403.002   29.915  252.792   9.1994  243.321   9.1015 -0.000000 0.000000 
1 1 1   -9    0   41 o  609.340   10.540  2523.33   86.913  2512.86  123.027  2533.76  122.799  608.071   14.951  610.609   14.860 -0.000000 0.000000 
1 1 1   -9    0   42 o  783.055   12.958  4169.42  137.328  4185.50  195.123  4153.64  193.311  784.545   18.376  781.564   18.274 -0.000000 0.000000 
1 1 1   -9    0   43 o  866.842   14.166  5107.49  166.114  5256.09  239.748  4970.28  230.373  878.956   20.152  854.728   19.914 -0.000000 0.000000 
1 1 1   -9    0   44 o  390.530   7.8554  1036.22   41.479  1054.11   59.702  1019.53   57.671  393.783   11.208  387.278   11.009 -0.000000 0.000000 
1 1 1   -9    0   45 o  774.791   12.861  4083.43  134.861  4042.59  190.098  4124.81  191.352  770.879   18.220  778.703   18.156 -0.000000 0.000000 
1 1 1   -9    0   46 o  1084.68   24.542  8020.32  360.323   0.0000   0.0000  8020.32  360.323  1084.68   24.542  1084.68   24.542 -0.000000 0.000000 
1 1 1   -9    0   47 o  517.437   9.3985  1820.13   65.796  1780.55   92.546  1860.59   93.560  511.727   13.366  523.146   13.216 -0.000000 0.000000 
1 1 1   -9    0   48 o  183.227   6.5423  230.243   16.076  208.288   22.915  251.524   22.560  174.441   9.7635  192.014   8.7108 -0.000000 0.000000 
1 1 1   -9    0   49 o  490.444   9.0739  1633.77   60.170  1689.21   87.147  1583.25   83.179  498.389   12.923  482.498   12.741 -0.000000 0.000000 
1 1 1   -9    0   50 f  273.243   6.8170  507.249   25.142  530.315   36.643  486.729   34.561  279.113   9.7145  267.374   9.5664 -0.000000 0.000000 
1 1 1   -9    0   51 o  663.061   11.347  2993.15  101.820  2951.35  143.208  3035.88  144.796  658.366   16.073  667.756   16.022 -0.000000 0.000000 
1 1 1   -9    0   52 o  484.075   12.820  1594.56   83.964  1594.56   83.964   0.0000   0.0000  484.075   12.820  484.075   12.820 -0.000000 0.000000 
1 1 1   -9    0   53 o  312.632   7.1743  665.579   30.310  652.681   43.177  678.111   42.560  309.611   10.317  315.653   9.9721 -0.000000 0.000000 
1 1 1   -9    0   54 o  660.037   11.332  2966.46  101.164  3050.60  146.046  2888.85  140.266  669.016   16.130  651.057   15.920 -0.000000 0.000000 
1 1 1   -9    0   55 o  287.970   6.9748  564.855   27.136  562.946   38.865  566.670   37.906  287.472   10.004  288.467   9.7219 -0.000000 0.000000 
1 1 1   -9    0   56 o  444.000   8.5483  1342.20   51.339  1351.29   73.339  1333.48   71.892  445.462   12.170  442.539   12.008 -0.000000 0.000000 
1 1 1   -9    0   57 o   94.265   8.4773   63.572   10.244   59.167   14.971   67.450   14.046   90.656   12.952   97.873   10.941 -0.000000 0.000000 
1 1 1   -9    0   58 o  250.872   6.8112  427.616   23.035  456.631   33.843  402.572   31.442  258.799   9.6807  242.946   9.5841 -0.000000 0.000000 
1 1 1   -9    0   59 o  210.874   6.6749  302.794   18.947  317.567   27.921  290.185   25.796  215.626   9.5987  206.121   9.2779 -0.000000 0.000000 
1 1 1   -9    0   60 o  243.368   6.7481  403.451   22.149  415.334   32.319  392.929   30.413  246.730   9.7002  240.007   9.3835 -0.000000 0.000000 
1 1 1   -9    0   61 f  121.948   7.3746  104.529   11.767   85.820   16.841  122.373   16.447  110.596   11.524  133.300   9.2057 -0.000000 0.000000 
1 1 1   -9    0   62 o  279.545   9.7688  532.826   36.904   0.0000   0.0000  532.826   36.904  279.545   9.7688  279.545   9.7688 -0.000000 0.000000 
1 1 1   -9    0   63 o  205.494   6.7674  289.383   18.700  277.861   27.108  299.847   25.831  201.474   9.9846  209.514   9.1377 -0.000000 0.000000 
1 1 1   -9    0   64 o  241.384   6.8440  397.113   22.263  409.047   32.690  386.791   30.403  244.734   9.8936  238.033   9.4592 -0.000000 0.000000 
1 1 1   -9    0   65 o  128.408   7.3020  113.259   12.460  126.596   18.675  102.560   16.727  135.290   10.325  121.526   10.328 -0.000000 0.000000 
1 1 1   -9    0   66 o  194.725   6.8048  259.248   17.830  266.039   26.055  253.266   24.452  197.097   9.8106  192.352   9.4326 -0.000000 0.000000 
1 1 1   -9    0   67 o  179.919   9.9448  222.122   24.078  222.122   24.078   0.0000   0.0000  179.919   9.9448  179.919   9.9448 -0.000000 0.000000 
1 1 1   -9    0   68 o  325.763   10.749  724.562   47.333  724.562   47.333   0.0000   0.0000  325.763   10.749  325.763   10.749 -0.000000 0.000000 
1 1 1   -9    0   69 o  248.761   7.1588  423.665   24.002  410.221   34.586  436.155   33.336  244.853   10.467  252.669   9.7691 -0.000000 0.000000 
1 1 1   -9    0   70 o  475.383   9.1434  1545.37   58.791  1502.99   82.863  1588.32   83.425  468.760   13.067  482.005   12.793 -0.000000 0.000000 
1 1 1   -9    0   71 o  216.811   9.6896  321.720   28.339   0.0000   0.0000  321.720   28.339  216.811   9.6896  216.811   9.6896 -0.000000 0.000000 
1 1 1   -9    0   73 o  120.418   11.462  101.516   18.315  101.516   18.315   0.0000   0.0000  120.418   11.462  120.418   11.462 -0.000000 0.000000 
1 1 1   -9    0   74 o  109.410   8.4507   84.607   12.136   83.822   17.654   85.311   16.711  108.743   12.396  110.077   11.489 -0.000000 0.000000 
1 1 1   -9    0   75 o  100.560   9.1953   73.472   11.657   64.879   17.313   80.599   15.767   94.132   14.623  106.988   11.152 -0.000000 0.000000 
1 1 1   -9    0   76 o  191.679   7.2163  252.226   18.551  258.227   27.603  247.283   25.051  193.661   10.591  189.697   9.8050 -0.000000 0.000000 
1 1 1   -9    0   77 o  191.609   9.7543  252.393   25.178   0.0000   0.0000  252.393   25.178  191.609   9.7543  191.609   9.7543 -0.000000 0.000000 
1 1 1   -9    0   78 o  144.375   7.5465  145.721   14.463  129.090   20.742  161.458   20.177  135.910   11.449  152.840   9.8349 -0.000000 0.000000 
1 1 1   -9    0   79 o   34.803   12.924   11.296   8.7611   4.1687   12.631   17.904   12.163   27.629   17.083   41.977   19.398 -0.000000 0.000000 
1 1 1   -9    0   81 o  139.377   10.796  135.676   20.110  135.676   20.110   0.0000   0.0000  139.377   10.796  139.377   10.796 -0.000000 0.000000 
1 1 1   -9    0   82 o  171.132   10.214  203.144   23.495  203.144   23.495   0.0000   0.0000  171.132   10.214  171.132   10.214 -0.000000 0.000000 
1 1 1   -9    0   83 o   42.492   13.219   17.867   8.8938   26.046   12.521   9.5370   12.636   53.034   19.045   31.950   18.337 -0.000000 0.000000 
1 1 1   -9    0   84 o  141.371   7.5745  139.689   14.235  160.223   20.759  121.462   19.558  151.520   10.217  131.222   11.185 -0.000000 0.000000 
1 1 1   -9    0   85 o  115.016   8.3609   94.287   12.475  114.085   18.250   76.921   17.092  127.146   10.770  102.885   12.792 -0.000000 0.000000 
1 1 1   -9    0   86 o  135.006   7.4734  128.493   13.470  123.613   19.062  133.361   19.037  132.286   10.799  137.725   10.334 -0.000000 0.000000 
1 1 1   -9    0   87 o   44.093   13.645   20.063   8.7193   16.161   12.316   23.984   12.347   38.694   19.303   49.492   19.291 -0.000000 0.000000 
1 1 1   -9    0   88 o  110.527   8.3191   88.225   12.111   88.527   17.441   87.943   16.829  110.587   11.996  110.468   11.529 -0.000000 0.000000 
1 1 1   -9    0   89 f  128.362   10.714  117.346   18.339   0.0000   0.0000  117.346   18.339  128.362   10.714  128.362   10.714 -0.000000 0.000000 
1 1 1   -9    0   90 o   30.149   17.469   8.9645   11.639   0.0000   0.0000   8.9645   11.639   30.149   17.469   30.149   17.469 -0.000000 0.000000 
1 1 1   -9    0   91 o   45.204   19.383   21.449   12.147   0.0000   0.0000   21.449   12.147   45.204   19.383   45.204   19.383 -0.000000 0.000000 
1 1 1   -9    0   92 o  107.676   11.507   84.563   16.307   0.0000   0.0000   84.563   16.307  107.676   11.507  107.676   11.507 -0.000000 0.000000 
1 1 1   -9    1    1 o  766.690   10.843  3959.39  105.615  3902.79  128.211  4078.88  186.290  758.476   12.474  774.905   17.740 -16.42957 21.68663 
1 1 1   -9    1    2 o  812.529   11.415  4449.75  117.883  4389.44  143.188  4576.61  207.667  804.328   13.137  820.731   18.672 -16.40210 22.83004 
1 1 1   -9    1    3 f  878.819   12.248  5193.46  136.495  5101.15  165.293  5391.36  242.012  867.010   14.069  890.627   20.052 -23.61682 24.49504 
1 1 1   -9    1    4 o  570.622   6.9455  2204.67   53.667  2120.86   74.199  2296.61   77.717  559.267   9.7903  581.976   9.8544 -22.70898 13.89093 
1 1 1   -9    1    5 o  554.839   6.7858  2086.41   51.009  2134.51   73.078  2040.71   71.233  561.071   9.6114  548.606   9.5816 12.46490 13.57154 
1 1 1   -9    1    6 o  885.528   10.088  5321.60  121.058  5326.48  171.290  5316.73  171.113  885.933   14.268  885.122   14.266 0.8105469 20.17612 
1 1 1   -9    1    7 o  820.409   9.4233  4565.90  104.753  4632.64  149.536  4501.60  146.788  826.291   13.355  814.526   13.299 11.76477 18.84665 
1 1 1   -9    1    8 o  777.983   8.9945  4106.33   94.826  4112.39  134.247  4100.28  133.962  778.557   12.724  777.410   12.716 1.146484 17.98892 
1 1 1   -9    1    9 o  912.176   12.715  5646.49  147.974  5671.24  257.214  5634.25  180.910  913.264   20.783  911.088   14.653 2.175903 25.42935 
1 1 1   -9    1   10 o  808.149   11.412  4436.55  117.804  4430.11  204.001  4439.77  144.295  807.414   18.645  808.885   13.164 -1.471863 22.82342 
1 1 1   -9    1   11 o  467.132   5.9916  1479.46   37.929  1480.64   53.659  1478.28   53.619  467.319   8.4732  466.945   8.4737 0.3738403 11.98329 
1 1 1   -9    1   12 o  686.385   8.0913  3196.00   75.261  3198.74  106.502  3193.26  106.367  686.679   11.445  686.091   11.440 0.5877686 16.18257 
1 1 1   -9    1   13 o  978.281   13.553  6475.39  168.721  6601.94  295.845  6414.39  205.398  984.740   22.170  971.823   15.597 12.91705 27.10624 
1 1 1   -9    1   14 o  773.674   10.971  4038.46  107.918  4144.92  189.887  3987.67  131.160  780.829   17.946  766.520   12.627 14.30878 21.94264 
1 1 1   -9    1   15 o  259.810   5.2808  450.985   17.497  477.177   30.825  438.534   21.253  265.269   8.5749  254.351   6.1660 10.91772 10.56166 
1 1 1   -9    1   16 o  321.394   5.8948  698.888   24.132  695.855   29.436  705.103   42.140  320.379   6.7801  322.410   9.6449 -2.031189 11.78959 
1 1 1   -9    1   17 o  474.716   7.4801  1531.00   45.331  1534.77   55.513  1523.45   78.532  475.708   8.6114  473.723   12.233 1.984680 14.96010 
1 1 1   -9    1   18 o  459.982   5.9594  1434.88   37.145  1449.47   52.825  1420.60   52.243  462.294   8.4322  457.669   8.4235 4.625641 11.91875 
1 1 1   -9    1   19 o  330.329   4.8749  739.811   21.822  733.000   30.739  746.731   30.983  328.797   6.8989  331.862   6.8895 -3.065582 9.749819 
1 1 1   -9    1   20 o  186.526   4.0141  235.849   10.146  233.990   14.319  237.723   14.378  185.788   5.6876  187.264   5.6659 -1.476288 8.028141 
1 1 1   -9    1   21 o  417.999   5.6008  1185.02   31.725  1182.87   44.814  1187.19   44.918  417.618   7.9187  418.379   7.9226 -0.7613220 11.20150 
1 1 1   -9    1   22 o  464.120   6.0150  1461.13   37.830  1472.73   53.712  1449.72   53.290  465.947   8.5066  462.292   8.5065 3.655212 12.03003 
1 1 1   -9    1   23 o  208.731   4.1597  295.345   11.764  302.051   16.713  288.759   16.563  211.080   5.8429  206.382   5.9222 4.698196 8.319328 
1 1 1   -9    1   24 o  566.251   6.9611  2175.71   53.415  2161.78   75.263  2189.85   75.820  564.425   9.8399  568.078   9.8490 -3.652771 13.92217 
1 1 1   -9    1   25 o  541.308   6.7278  1987.98   49.351  1980.93   69.624  1995.11   69.963  540.343   9.5084  542.273   9.5206 -1.930542 13.45557 
1 1 1   -9    1   26 o  305.252   4.7419  631.607   19.613  621.118   27.512  642.448   27.969  302.676   6.7074  307.829   6.7048 -5.153168 9.483853 
1 1 1   -9    1   27 o  303.436   4.7487  624.184   19.526  620.541   27.465  627.906   27.765  302.542   6.6990  304.331   6.7324 -1.789337 9.497455 
1 1 1   -9    1   28 o  469.360   8.5848  1495.14   54.601  1503.13   77.669  1487.34   76.774  470.597   12.179  468.123   12.102 2.473267 17.16968 
1 1 1   -9    1   29 o  344.555   6.1691  797.485   27.081  827.078   47.582  783.307   32.935  349.193   10.055  339.917   7.1500 9.276337 12.33812 
1 1 1   -9    1   30 o  797.584   9.2469  4317.18   99.941  4286.20  140.695  4348.73  141.988  794.697   13.065  800.471   13.090 -5.773682 18.49377 
1 1 1   -9    1   31 o  779.949   9.0703  4127.90   95.867  4140.68  135.825  4115.22  135.329  781.151   12.831  778.747   12.824 2.404602 18.14059 
1 1 1   -9    1   32 f  309.119   4.8417  647.689   20.281  644.433   28.558  651.002   28.807  308.336   6.8348  309.903   6.8595 -1.566925 9.683374 
1 1 1   -9    1   33 o  1126.54   12.644  8622.18  193.031  8596.79  272.454  8647.77  273.522  1124.87   17.873  1128.20   17.891 -3.327759 25.28892 
1 1 1   -9    1   34 o  1100.96   17.558  8255.15  261.945  8214.21  369.033  8296.73  371.875  1098.22   24.797  1103.71   24.863 -5.486816 35.11501 
1 1 1   -9    1   35 o  559.192   9.8363  2121.68   74.528  2092.29  104.378  2152.25  106.449  555.244   13.872  563.139   13.949 -7.894958 19.67256 
1 1 1   -9    1   36 o  817.861   9.4677  4538.94  104.929  4570.38  149.002  4508.01  147.789  820.670   13.398  815.052   13.381 5.617432 18.93536 
1 1 1   -9    1   37 f  1016.66   11.512  7019.50  158.599  7039.40  224.601  6999.72  223.985  1018.10   16.279  1015.22   16.281 2.873169 23.02352 
1 1 1   -9    1   38 o  289.941   4.7757  569.828   18.764  567.748   26.458  571.933   26.614  289.409   6.7464  290.473   6.7613 -1.064423 9.551327 
1 1 1   -9    1   39 o  819.655   9.5001  4559.60  105.517  4519.39  148.305  4600.83  150.159  815.998   13.412  823.313   13.459 -7.314758 19.00030 
1 1 1   -9    1   40 o  923.146   10.556  5786.55  132.050  5719.66  185.317  5855.53  188.210  917.732   14.901  928.560   14.957 -10.82849 21.11296 
1 1 1   -9    1   41 o  510.413   6.5213  1766.83   45.106  1761.53   63.664  1772.18   63.916  509.644   9.2181  511.182   9.2268 -1.537964 13.04257 
1 1 1   -9    1   42 o  272.607   4.7129  503.658   17.408  493.045   24.402  514.656   24.841  269.683   6.6773  275.530   6.6529 -5.847382 9.425855 
1 1 1   -9    1   43 o  730.845   8.6256  3625.67   85.424  3657.30  121.436  3594.69  120.190  733.998   12.209  727.691   12.188 6.307556 17.25124 
1 1 1   -9    1   44 f  629.394   7.6432  2688.32   65.189  2696.80   92.339  2679.90   92.045  630.383   10.809  628.406   10.809 1.977783 15.28631 
1 1 1   -9    1   45 o  398.816   6.8281  1074.84   34.794  1091.96   60.485  1066.38   42.536  401.094   11.128  396.539   7.9157 4.554596 13.65620 
1 1 1   -9    1   46 f  386.726   7.7485  1014.15   40.585  971.921   56.412  1059.46   58.432  378.387   11.002  395.065   10.914 -16.67841 15.49702 
1 1 1   -9    1   47 f  291.529   4.8838  575.662   19.283  554.978   26.743  598.061   27.830  286.081   6.8982  296.977   6.9153 -10.89600 9.767613 
1 1 1   -9    1   48 o  279.523   4.8087  529.828   18.215  526.188   25.643  533.534   25.877  278.554   6.7932  280.491   6.8079 -1.937164 9.617476 
1 1 1   -9    1   49 o  429.081   5.8658  1249.21   34.107  1252.32   48.270  1246.10   48.200  429.615   8.2911  428.546   8.2998 1.069244 11.73159 
1 1 1   -9    1   50 o  377.494   5.4680  966.649   27.969  984.569   39.863  949.275   39.252  380.940   7.7221  374.049   7.7437 6.891388 10.93595 
1 1 1   -9    1   51 o  595.510   9.0501  2404.92   68.532  2390.49   83.442  2434.84  120.127  593.184   10.380  597.837   14.828 -4.652344 18.10015 
1 1 1   -9    1   52 o  225.864   6.6534  346.664   20.353  357.972   28.682  335.194   28.887  229.587   9.2189  222.141   9.5959 7.445694 13.30675 
1 1 1   -9    1   53 o  189.859   4.5921  244.285   11.799  226.882   16.418  262.871   16.967  182.869   6.6253  196.849   6.3605 -13.97989 9.184268 
1 1 1   -9    1   54 o  199.339   4.5714  269.381   12.342  257.858   17.201  281.611   17.720  194.946   6.5112  203.731   6.4184 -8.785370 9.142845 
1 1 1   -9    1   55 o  416.666   5.7917  1178.91   32.699  1160.86   45.904  1197.51   46.591  413.429   8.1935  419.904   8.1878 -6.475006 11.58333 
1 1 1   -9    1   56 o  384.711   5.5509  1005.10   28.938  1016.09   41.108  994.305   40.743  386.797   7.8426  382.625   7.8576 4.171478 11.10174 
1 1 1   -9    1   57 o  152.395   4.6670  157.580   9.6336  150.965   13.493  164.459   13.759  149.131   6.6766  155.660   6.5228 -6.529068 9.333972 
1 1 1   -9    1   58 o  382.802   5.5650  995.525   28.868  988.134   40.653  1003.04   40.999  381.369   7.8662  384.234   7.8740 -2.865082 11.13001 
1 1 1   -9    1   59 o  415.839   5.8316  1174.21   32.845  1222.59   47.283  1129.11   45.660  424.111   8.2271  407.568   8.2671 16.54260 11.66320 
1 1 1   -9    1   60 o  496.014   6.4995  1674.00   43.687  1680.71   61.914  1667.35   61.652  497.003   9.1929  495.025   9.1905 1.978546 12.99900 
1 1 1   -9    1   61 o  260.586   5.8684  463.973   19.631  454.861   33.491  468.742   24.230  258.473   9.5616  262.700   6.8063 -4.226410 11.73670 
1 1 1   -9    1   62 o  222.861   6.5312  336.927   19.676  372.058   28.716  305.835   27.014  233.792   9.0637  211.929   9.4063 21.86250 13.06246 
1 1 1   -9    1   63 o  157.316   5.8086  171.837   11.747  180.246   14.679  156.863   19.588  162.887   6.6501  151.745   9.5255 11.14169 11.61724 
1 1 1   -9    1   64 o  453.406   6.1771  1399.56   37.953  1411.71   53.865  1387.58   53.484  455.362   8.7290  451.451   8.7424 3.911652 12.35419 
1 1 1   -9    1   65 o  286.231   5.0093  556.765   19.426  571.889   27.757  542.245   27.197  290.042   7.0620  282.419   7.1063 7.622955 10.01854 
1 1 1   -9    1   66 o  176.099   4.7864  210.796   11.422  211.471   16.116  210.115   16.190  176.384   6.7423  175.813   6.7955 0.5708771 9.572762 
1 1 1   -9    1   67 o  198.516   6.8202  267.935   18.347  267.935   18.347   0.0000   0.0000  198.516   6.8202  ?   ?       ?      ? 
1 1 1   -9    1   68 o  236.857   6.0208  376.014   18.279  401.331   31.921  363.662   22.297  242.493   9.7141  231.220   7.1159 11.27289 12.04158 
1 1 1   -9    1   69 o  242.187   6.1447  401.456   18.896  395.199   32.973  404.516   23.058  240.515   10.117  243.859   6.9777 -3.344025 12.28948 
1 1 1   -9    1   70 f  321.462   5.2908  703.381   23.045  717.597   32.811  689.540   32.376  324.672   7.4575  318.251   7.5070 6.420410 10.58153 
1 1 1   -9    1   71 o  339.909   5.4057  786.849   24.899  796.362   35.395  777.529   35.032  341.945   7.6385  337.874   7.6511 4.070435 10.81136 
1 1 1   -9    1   72 o  347.975   5.4741  824.548   25.805  852.812   37.008  797.804   35.999  353.781   7.7194  342.170   7.7636 11.61090 10.94818 
1 1 1   -9    1   73 o  239.160   4.9504  389.472   16.044  392.806   22.713  386.152   22.665  240.186   6.9783  238.135   7.0235 2.050674 9.900869 
1 1 1   -9    1   74 o  142.079   5.1734  137.502   9.9295  123.236   13.825  152.701   14.270  134.440   7.5887  149.718   7.0335 -15.27762 10.34687 
1 1 1   -9    1   75 o  190.029   5.0058  246.243   12.862  225.471   18.042  267.709   18.341  181.837   7.3219  198.221   6.8280 -16.38364 10.01159 
1 1 1   -9    1   76 o  240.611   6.0817  394.331   18.928  402.041   32.076  390.212   23.444  242.066   9.7784  239.155   7.2340 2.911789 12.16340 
1 1 1   -9    1   77 o  131.664   7.7197  118.489   13.774  118.489   13.774   0.0000   0.0000  131.664   7.7197  ?   ?       ?      ? 
1 1 1   -9    1   78 o  121.176   5.5512  100.548   9.1073  101.835   12.662   99.169   13.109  122.009   7.6584  120.343   8.0381 1.665680 11.10232 
1 1 1   -9    1   79 o  229.197   4.9813  358.687   15.454  383.884   22.269  335.280   21.463  236.983   6.9342  221.411   7.1532 15.57198 9.962510 
1 1 1   -9    1   80 o  136.093   5.3812  127.206   9.8776  142.663   14.075  112.207   13.865  144.338   7.1961  127.849   8.0028 16.48951 10.76240 
1 1 1   -9    1   81 o   98.300   12.644   67.879   16.843   0.0000   0.0000   67.879   16.843  ?   ?    98.300   12.644      ?      ? 
1 1 1   -9    1   82 o  100.450   7.1808   69.411   9.2137   72.534   16.093   67.889   11.238  101.692   11.678   99.207   8.3589 2.485023 14.36157 
1 1 1   -9    1   83 o   83.883   6.4429   48.848   7.3059   53.201   10.412   44.625   10.255   87.640   8.7666   80.126   9.4440 7.513763 12.88579 
1 1 1   -9    1   84 o   68.745   7.6387   33.853   6.8901   29.296   9.8082   38.293   9.6812   63.423   11.848   74.067   9.6455 -10.64351 15.27743 
1 1 1   -9    1   85 o  130.310   5.2315  117.299   9.2232  126.479   13.198  108.538   12.894  135.360   7.1951  125.260   7.5963 10.09967 10.46300 
1 1 1   -9    1   86 o   73.497   6.9291   37.974   6.8671   43.201   9.9167   33.159   9.5185   78.480   9.3245   68.514   10.252 9.966789 13.85823 
1 1 1   -9    1   87 o   95.901   5.9173   64.293   7.6882   65.164   10.811   63.403   10.935   96.595   8.2591   95.206   8.4760 1.389450 11.83451 
1 1 1   -9    1   88 o   41.240   9.3535   12.318   6.0314   15.666   8.5942   9.0679   8.4665   45.504   13.178   36.975   13.277 8.528828 18.70706 
1 1 1   -9    1   89 o   76.556   8.4117   43.476   7.9770   42.515   13.672   43.971   9.8221   74.368   14.082   78.744   9.2046 -4.375122 16.82343 
1 1 1   -9    1   90 o   71.052   10.134   39.320   9.4195   42.888   13.533   35.969   13.119   74.512   13.915   67.593   14.738 6.918457 20.26856 
1 1 1   -9    1   91 o   77.548   9.5408   45.966   9.8117   43.685   13.789   48.305   13.964   74.806   14.120   80.289   12.835 -5.482277 19.08150 
1 1 1   -9    1   92 o   55.333   10.349   24.339   8.8127   39.170   12.527   9.8063   12.400   70.896   13.532   39.770   15.661 31.12572 20.69755 
1 1 1   -9    1   93 o   53.508   15.736   23.664   12.170   23.664   12.170   0.0000   0.0000   53.508   15.736  ?   ?       ?      ? 
1 1 1   -9    2    1 o  604.758   7.2626  2480.27   59.516  2458.38   83.715  2502.65   84.630  602.061   10.261  607.456   10.281 -5.395203 14.52510 
1 1 1   -9    2    2 o  738.515   9.8852  3667.57   85.264  3634.69   98.015  3769.86  172.873  732.096   9.8796  744.934   17.125 -12.83875 19.77033 
1 1 1   -9    2    3 o  614.765   8.5035  2594.32   62.015  2627.58   72.252  2501.24  120.860  622.531   8.5646  606.999   14.693 15.53198 17.00699 
1 1 1   -9    2    4 o  282.991   5.1328  553.512   17.312  565.786   20.271  520.425   33.281  288.934   5.1771  277.047   8.8646 11.88724 10.26564 
1 1 1   -9    2    5 o  288.511   4.4818  564.152   17.522  569.642   24.911  558.776   24.650  289.900   6.3411  287.122   6.3353 2.778259 8.963545 
1 1 1   -9    2    6 o  619.079   7.4078  2598.33   62.134  2652.63   88.966  2546.63   86.813  625.390   10.498  612.769   10.455 12.62067 14.81552 
1 1 1   -9    2    7 o  750.384   8.7140  3820.34   88.609  3834.43  125.639  3806.40  124.989  751.760   12.333  749.008   12.314 2.751099 17.42801 
1 1 1   -9    2    8 o  613.779   7.3616  2554.64   61.225  2589.89   87.295  2520.52   85.892  617.944   10.425  609.614   10.397 8.330566 14.72322 
1 1 1   -9    2    9 o  670.547   9.7139  3016.33   82.406  3151.04  146.999  2954.59   99.513  681.133   15.926  659.962   11.127 21.17035 19.42776 
1 1 1   -9    2   10 o  951.834   15.251  6152.68  196.714   0.0000   0.0000  6152.68  196.714  ?   ?   951.834   15.251      ?      ? 
1 1 1   -9    2   11 o  1039.58   14.332  7328.56  189.858  7426.61  331.514  7280.70  231.601  1044.01   23.432  1035.16   16.510 8.851929 28.66458 
1 1 1   -9    2   12 o  677.551   9.7767  3101.16   84.391  3163.17  147.688  3071.09  102.832  682.322   15.972  672.779   11.279 9.542480 19.55347 
1 1 1   -9    2   13 o  376.679   5.2143  961.940   26.616  953.891   37.528  970.086   37.754  375.093   7.3830  378.264   7.3652 -3.171234 10.42857 
1 1 1   -9    2   14 o  296.186   4.5943  594.665   18.440  587.910   25.964  601.539   26.193  294.489   6.5062  297.883   6.4886 -3.394318 9.188687 
1 1 1   -9    2   15 o  312.915   4.7200  663.791   20.014  669.685   28.408  657.983   28.202  314.295   6.6700  311.536   6.6801 2.758301 9.439981 
1 1 1   -9    2   16 o  369.858   6.3833  928.502   30.063  929.683   36.713  926.100   52.377  370.284   7.3165  369.432   10.462 0.8524170 12.76669 
1 1 1   -9    2   17 o  249.426   5.3254  418.679   16.835  412.983   20.394  430.863   29.826  246.818   6.0974  252.035   8.7327 -5.217133 10.65074 
1 1 1   -9    2   18 o  154.784   3.9159  162.399   8.2128  159.114   11.574  165.729   11.655  153.207   5.5749  156.360   5.5006 -3.153091 7.831744 
1 1 1   -9    2   19 o  278.422   4.5045  525.557   16.995  530.178   24.091  520.980   23.978  279.640   6.3574  277.203   6.3831 2.436920 9.008911 
1 1 1   -9    2   20 o  302.935   4.6822  622.208   19.221  627.933   27.268  616.555   27.097  304.320   6.6122  301.550   6.6310 2.770233 9.364352 
1 1 1   -9    2   21 o  155.751   3.9751  164.435   8.3887  160.484   11.806  168.464   11.922  153.861   5.6621  157.641   5.5809 -3.779800 7.950156 
1 1 1   -9    2   22 f  591.146   7.1937  2371.26   57.623  2402.93   82.114  2340.54   80.882  595.032   10.183  587.259   10.163 7.773743 14.38747 
1 1 1   -9    2   23 o  762.348   8.8821  3947.32   91.759  3938.99  129.574  3955.71  129.962  761.542   12.556  763.154   12.567 -1.612183 17.76421 
1 1 1   -9    2   24 o  386.239   5.3541  1011.49   28.021  1028.92   39.901  994.520   39.361  389.523   7.5591  382.955   7.5846 6.568024 10.70825 
1 1 1   -9    2   25 o  460.701   5.9967  1439.45   37.437  1429.93   52.721  1449.14   53.170  459.164   8.4728  462.238   8.4883 -3.073364 11.99335 
1 1 1   -9    2   26 o  515.195   6.4981  1798.88   45.347  1746.62   63.037  1854.93   65.284  507.448   9.1669  522.941   9.2123 -15.49341 12.99612 
1 1 1   -9    2   27 o  500.847   7.7697  1702.19   49.862  1702.47   61.256  1701.62   85.841  501.024   9.0221  500.670   12.652 0.3538818 15.53936 
1 1 1   -9    2   28 o  622.649   9.2550  2659.20   74.166  2542.02  125.040  2722.81   92.120  611.770   15.083  633.529   10.730 -21.75909 18.51008 
1 1 1   -9    2   29 o  576.306   7.0819  2252.60   55.308  2255.12   78.251  2250.09   78.184  576.628   10.014  575.985   10.017 0.6432495 14.16385 
1 1 1   -9    2   30 o  785.724   9.1320  4188.72   97.226  4134.90  136.386  4244.33  138.637  780.595   12.893  790.853   12.936 -10.25757 18.26407 
1 1 1   -9    2   31 o  499.340   6.3773  1690.43   43.151  1670.15   60.601  1711.29   61.457  496.303   9.0105  502.378   9.0273 -6.075500 12.75465 
1 1 1   -9    2   32 o  376.953   5.3307  963.007   27.227  982.236   38.849  944.444   38.170  380.651   7.5312  373.256   7.5463 7.394928 10.66146 
1 1 1   -9    2   33 o  356.024   5.1802  859.205   24.992  855.562   35.232  862.894   35.458  355.264   7.3181  356.783   7.3337 -1.518768 10.36040 
1 1 1   -9    2   34 o  399.924   7.8533  1084.83   42.556  1106.34   60.321  1063.50   60.047  403.876   11.021  395.973   11.190 7.902649 15.70653 
1 1 1   -9    2   35 o  394.117   6.7071  1048.73   33.755  1066.73   58.767  1039.88   41.236  396.580   10.935  391.655   7.7695 4.924927 13.41415 
1 1 1   -9    2   36 o  531.824   6.6955  1917.88   48.253  1925.74   68.351  1910.07   68.131  532.910   9.4647  530.738   9.4729 2.172302 13.39091 
1 1 1   -9    2   37 o  611.564   7.4396  2536.26   61.651  2573.18   87.863  2500.46   86.526  615.946   10.526  607.182   10.516 8.764587 14.87918 
1 1 1   -9    2   38 o  224.676   4.4343  342.159   13.501  343.795   19.104  340.526   19.083  225.213   6.2595  224.139   6.2826 1.073593 8.868615 
1 1 1   -9    2   39 o  189.082   4.3552  242.282   11.158  236.390   15.660  248.357   15.902  186.748   6.1880  191.417   6.1303 -4.669052 8.710424 
1 1 1   -9    2   40 o  489.974   6.3430  1628.06   42.116  1627.69   59.513  1628.43   59.609  489.919   8.9641  490.028   8.9765 -0.1093750 12.68595 
1 1 1   -9    2   41 o  917.958   10.514  5723.13  130.783  5792.56  186.294  5655.65  183.643  923.445   14.887  912.472   14.852 10.97290 21.02836 
1 1 1   -9    2   42 o  716.077   8.4787  3480.38   82.274  3465.67  115.996  3495.27  116.715  714.556   11.979  717.598   12.002 -3.042603 16.95736 
1 1 1   -9    2   43 o  392.206   5.5487  1042.78   29.486  1022.74   41.256  1063.69   42.158  388.357   7.8392  396.055   7.8550 -7.698090 11.09747 
1 1 1   -9    2   44 o  392.477   5.5486  1044.37   29.507  1065.46   42.076  1023.96   41.391  396.376   7.8334  388.578   7.8604 7.797638 11.09716 
1 1 1   -9    2   45 o  255.335   5.6999  442.200   18.683  442.084   32.045  442.259   22.995  255.271   9.2637  255.400   6.6440 -0.1290894 11.39989 
1 1 1   -9    2   46 o  594.359   8.9630  2422.64   68.600  2475.70   85.215  2324.95  115.635  603.942   10.412  584.777   14.592 19.16467 17.92596 
1 1 1   -9    2   47 o  367.832   5.3955  916.831   26.880  958.227   38.643  878.025   37.415  375.871   7.5867  359.793   7.6737 16.07779 10.79093 
1 1 1   -9    2   48 o  334.480   5.1564  758.831   23.372  762.188   33.018  755.460   33.088  335.223   7.2683  333.738   7.3162 1.484894 10.31284 
1 1 1   -9    2   49 o  552.815   6.9500  2074.94   52.065  2078.43   73.660  2071.46   73.604  553.279   9.8243  552.351   9.8334 0.9282837 13.90008 
1 1 1   -9    2   50 o  413.181   7.1139  1161.19   37.388  1164.47   45.633  1154.50   65.212  414.239   8.1291  412.123   11.677 2.116364 14.22773 
1 1 1   -9    2   51 o  339.528   6.4513  779.283   27.732  773.054   33.610  792.567   49.085  337.540   7.3478  341.516   10.606 -3.975616 12.90261 
1 1 1   -9    2   52 o  208.286   5.5824  289.759   14.806  308.128   26.188  281.129   17.950  213.001   9.0728  203.571   6.5067 9.430405 11.16480 
1 1 1   -9    2   53 o  316.020   5.0697  677.681   21.710  668.303   30.529  687.274   30.878  313.807   7.1791  318.232   7.1603 -4.424347 10.13948 
1 1 1   -9    2   54 o  439.325   5.9761  1310.89   35.578  1306.89   50.213  1314.91   50.418  438.654   8.4471  439.997   8.4558 -1.343079 11.95220 
1 1 1   -9    2   55 o  375.778   5.4870  958.872   27.941  964.811   39.600  952.985   39.430  376.938   7.7526  374.619   7.7671 2.318817 10.97405 
1 1 1   -9    2   56 o  310.551   5.0529  654.627   21.262  641.506   29.834  668.170   30.310  307.388   7.1621  313.714   7.1297 -6.325867 10.10587 
1 1 1   -9    2   57 o  146.096   4.7414  144.601   9.3457  126.643   12.911  164.368   13.545  136.575   6.9761  155.617   6.4232 -19.04175 9.482767 
1 1 1   -9    2   58 o  401.913   5.7125  1097.69   31.113  1106.10   44.094  1089.34   43.906  403.449   8.0651  400.376   8.0923 3.072876 11.42504 
1 1 1   -9    2   59 o  319.829   5.1409  694.773   22.280  687.340   31.322  702.387   31.699  318.099   7.2661  321.560   7.2745 -3.462006 10.28172 
1 1 1   -9    2   60 o  216.747   4.6971  318.993   13.795  322.284   19.650  315.795   19.373  217.848   6.6562  215.646   6.6292 2.202133 9.394213 
1 1 1   -9    2   61 o  246.324   5.8090  411.457   18.371  416.256   31.586  409.004   22.583  247.264   9.4264  245.384   6.7914 1.880646 11.61810 
1 1 1   -9    2   62 o  278.580   6.0106  532.203   21.533  541.666   26.681  514.528   36.466  282.347   6.9733  274.812   9.7919 7.535217 12.02116 
1 1 1   -9    2   63 o  252.942   5.8185  426.450   18.905  408.697   23.069  462.755   32.989  245.239   6.9416  260.646   9.3398 -15.40698 11.63695 
1 1 1   -9    2   64 o  229.825   5.8765  358.879   17.240  361.251   29.948  357.703   21.084  230.222   9.5992  229.427   6.7814 0.7950592 11.75295 
1 1 1   -9    2   65 o  148.927   4.8737  150.763   9.8359  151.124   13.899  150.401   13.922  149.106   6.8785  148.747   6.9065 0.3587646 9.747467 
1 1 1   -9    2   66 o  242.232   6.0584  395.592   18.453  388.932   22.189  410.529   33.230  239.187   6.8458  245.276   9.9975 -6.089645 12.11674 
1 1 1   -9    2   67 o  368.113   5.5674  921.743   27.763  895.033   38.653  950.206   39.901  362.610   7.8661  373.616   7.8809 -11.00595 11.13482 
1 1 1   -9    2   68 o  239.475   6.0134  383.618   18.307  411.346   32.534  370.770   22.145  245.473   9.7803  233.477   6.9993 11.99684 12.02682 
1 1 1   -9    2   69 o  262.703   4.9961  469.239   17.779  488.922   25.464  450.520   24.833  268.083   7.0093  257.323   7.1215 10.76004 9.992282 
1 1 1   -9    2   70 o  202.558   4.8479  278.932   13.301  267.203   18.562  291.310   19.069  198.178   6.9116  206.938   6.7998 -8.760300 9.695764 
1 1 1   -9    2   71 o  253.340   4.9639  436.752   17.037  450.548   24.241  423.285   23.950  257.304   6.9522  249.377   7.0871 7.927521 9.927707 
1 1 1   -9    2   72 o  157.967   5.0583  169.964   10.825  173.838   15.247  166.028   15.370  159.794   7.0412  156.140   7.2642 3.654602 10.11667 
1 1 1   -9    2   73 o  273.710   5.0524  509.989   18.734  496.150   26.125  524.639   26.880  269.890   7.1430  277.530   7.1473 -7.639648 10.10477 
1 1 1   -9    2   74 o  269.359   5.0502  494.419   18.434  494.335   26.025  494.503   26.114  269.339   7.1304  269.379   7.1537 -0.4071045E-01 10.10038 
1 1 1   -9    2   75 o  159.571   5.9972  166.135   12.291  198.821   21.838  150.982   14.869  170.364   9.4591  148.778   7.3750 21.58603 11.99440 
1 1 1   -9    2   76 o  197.318   5.0019  264.570   13.343  291.226   19.513  241.160   18.286  206.636   6.9683  187.999   7.1777 18.63673 10.00387 
1 1 1   -9    2   77 o  224.083   5.9944  343.844   17.323  343.625   21.436  344.255   29.409  224.353   7.0508  223.812   9.6964 0.5406189 11.98887 
1 1 1   -9    2   78 o  142.951   6.4102  144.699   11.671  154.607   14.545  126.786   19.556  150.408   7.1360  135.495   10.651 14.91345 12.82044 
1 1 1   -9    2   79 o   36.255   9.6961   6.8982   6.5283   7.0863   9.1525   6.7035   9.3145   36.367   13.676   36.143   13.749 0.2238808 19.39223 
1 1 1   -9    2   80 o  256.343   7.2270  455.577   25.077  470.764   35.070  439.689   35.871  260.879   9.9201  251.806   10.512 9.073730 14.45395 
1 1 1   -9    2   81 o   94.067   7.6286   60.014   9.1639   57.004   11.106   66.436   16.222   90.848   9.0209   97.286   12.305 -6.437569 15.25710 
1 1 1   -9    2   82 o  117.171   7.0475   99.923   10.472   80.773   17.183  111.238   13.208  107.203   11.828  127.138   7.6662 -19.93464 14.09490 
1 1 1   -9    2   83 f  106.004   5.8630   77.546   8.4131   82.451   12.195   73.092   11.621  109.209   8.2405  102.799   8.3422 6.409920 11.72599 
1 1 1   -9    2   84 o   89.504   6.3674   56.136   7.5692   70.094   10.867   42.981   10.550  100.647   7.9673   78.361   9.9346 22.28538 12.73471 
1 1 1   -9    2   85 o   58.902   8.2591   25.232   6.4459   31.939   9.2851   18.993   8.9556   67.366   10.171   50.437   13.015 16.92973 16.51812 
1 1 1   -9    2   86 o  113.845   7.7878   90.035   12.015   90.035   12.015   0.0000   0.0000  113.845   7.7878  ?   ?       ?      ? 
1 1 1   -9    2   87 o  131.505   5.2089  120.121   9.2797  120.179   12.966  120.060   13.287  131.579   7.2716  131.431   7.4601 0.1481171 10.41775 
1 1 1   -9    2   88 o   73.403   9.0388   42.843   8.0028   32.188   13.577   48.515   9.9065   63.824   15.786   82.983   8.8095 -19.15844 18.07763 
1 1 1   -9    2   89 o   36.123   8.5695   6.9957   6.5252 -12.8113   11.222   17.114   8.0204   24.856   11.873   47.389   12.360 -22.53300 17.13906 
1 1 1   -9    2   90 o  101.444   7.8620   75.016   10.799   71.804   15.274   78.228   15.272   99.108   11.372  103.781   10.859 -4.673630 15.72405 
1 1 1   -9    2   91 o   53.343   10.965   23.012   8.4537   19.931   11.905   26.146   12.006   49.808   15.750   56.877   15.260 -7.069363 21.93049 
1 1 1   -9    2   92 o   64.817   15.054   33.934   12.969   33.934   12.969   0.0000   0.0000   64.817   15.054  ?   ?       ?      ? 
1 1 1   -9    2   93 o   74.627   14.251   44.244   13.886   44.244   13.886   0.0000   0.0000   74.627   14.251  ?   ?       ?      ? 
1 1 1   -9    3    1 o  349.531   5.9719  826.292   26.815  821.620   32.983  835.401   46.052  348.124   6.9916  350.938   9.6835 -2.814331 11.94377 
1 1 1   -9    3    2 o  229.191   4.8714  354.156   14.425  349.730   17.826  362.550   24.550  227.146   5.7913  231.235   7.8347 -4.088394 9.742773 
1 1 1   -9    3    3 o  341.373   6.9126  788.961   31.931  817.246   46.707  764.140   43.753  347.101   9.9298  335.646   9.6194 11.45544 13.82512 
1 1 1   -9    3    4 o  399.137   10.888  1080.88   58.890  1080.88   58.890   0.0000   0.0000  399.137   10.888  ?   ?       ?      ? 
1 1 1   -9    3    5 o  433.680   6.6239  1274.99   38.929  1274.99   38.929   0.0000   0.0000  433.680   6.6239  ?   ?       ?      ? 
1 1 1   -9    3    6 o  334.471   5.5297  758.468   21.982  758.401   25.551  758.658   43.124  334.499   5.6368  334.443   9.5150 0.5532837E-01 11.05935 
1 1 1   -9    3    7 o  240.073   4.1741  390.669   13.579  383.932   19.155  397.473   19.252  237.992   5.9393  242.154   5.8667 -4.161789 8.348290 
1 1 1   -9    3    8 o  355.513   5.0179  856.643   24.171  836.853   33.881  877.153   34.492  351.332   7.1162  359.694   7.0763 -8.361298 10.03571 
1 1 1   -9    3    9 o  493.067   7.6532  1640.19   47.905  1676.45   84.459  1622.99   58.166  496.942   12.542  489.192   8.7742 7.750458 15.30630 
1 1 1   -9    3   10 o  614.740   9.0695  2557.20   70.939  2590.64  124.250  2541.02   86.406  617.500   14.848  611.980   10.419 5.520630 18.13907 
1 1 1   -9    3   11 o  593.391   7.1793  2388.86   57.729  2373.94   81.335  2404.01   81.951  591.524   10.147  595.258   10.159 -3.733765 14.35856 
1 1 1   -9    3   12 o  567.856   6.9338  2187.65   53.357  2179.38   75.308  2195.99   75.609  566.778   9.8050  568.934   9.8069 -2.155884 13.86769 
1 1 1   -9    3   13 o  454.141   5.8919  1398.69   36.259  1411.03   51.508  1386.57   51.052  456.126   8.3330  452.155   8.3319 3.971100 11.78390 
1 1 1   -9    3   14 o  280.576   4.4921  533.692   17.080  536.835   24.230  530.587   24.079  281.397   6.3541  279.754   6.3516 1.642181 8.984236 
1 1 1   -9    3   15 o  387.026   6.5604  1012.50   32.243  1005.66   39.195  1026.82   56.706  385.096   7.5107  388.956   10.758 -3.859436 13.12073 
1 1 1   -9    3   16 o  422.424   6.9212  1201.89   37.062  1185.90   44.909  1236.03   65.623  418.158   7.9253  426.690   11.349 -8.532166 13.84237 
1 1 1   -9    3   17 o  231.585   4.2118  363.593   13.218  365.132   18.703  362.057   18.683  232.075   5.9471  231.096   5.9658 0.9796753 8.423689 
1 1 1   -9    3   18 o  235.774   4.2417  376.757   13.550  366.352   18.995  387.535   19.333  232.460   6.0300  239.087   5.9671 -6.627533 8.483326 
1 1 1   -9    3   19 o  148.621   3.9541  149.734   7.9598  156.079   11.319  143.526   11.196  151.737   5.5045  145.505   5.6781 6.231781 7.908251 
1 1 1   -9    3   20 o  406.648   5.5081  1121.50   30.353  1123.10   42.939  1119.91   42.913  406.937   7.7865  406.359   7.7929 0.5779419 11.01626 
1 1 1   -9    3   21 o  523.009   6.5531  1855.46   46.440  1885.50   66.230  1826.41   65.136  527.172   9.2708  518.846   9.2641 8.326172 13.10615 
1 1 1   -9    3   22 o  353.636   5.0899  847.729   24.388  829.719   34.147  866.482   34.844  349.803   7.2035  357.469   7.1929 -7.665924 10.17977 
1 1 1   -9    3   23 o  235.589   4.3043  376.245   13.742  373.492   19.373  379.032   19.494  234.722   6.0907  236.456   6.0838 -1.734665 8.608668 
1 1 1   -9    3   24 o  503.197   6.3789  1717.34   43.496  1702.46   61.210  1732.51   61.820  500.997   9.0159  505.397   9.0263 -4.400299 12.75774 
1 1 1   -9    3   25 o  629.746   9.2376  2679.98   74.219  2655.50   90.578  2730.00  129.474  625.603   10.684  633.888   15.073 -8.285217 18.47520 
1 1 1   -9    3   26 o  289.371   5.5780  552.824   20.616  525.277   24.965  611.891   36.557  278.364   6.6181  300.378   8.9808 -22.01385 11.15596 
1 1 1   -9    3   27 f  713.973   10.345  3482.93   94.754  3394.09  161.660  3529.41  116.950  706.739   16.880  721.207   11.966 -14.46814 20.69083 
1 1 1   -9    3   28 o  854.449   9.8218  4955.75  113.725  4937.71  160.461  4973.95  161.205  852.888   13.883  856.010   13.897 -3.122498 19.64359 
1 1 1   -9    3   29 o  438.349   5.8365  1302.64   34.669  1316.45   49.274  1289.10   48.788  440.649   8.2517  436.049   8.2565 4.600403 11.67308 
1 1 1   -9    3   30 o  581.455   7.1295  2292.71   56.175  2308.30   79.750  2277.36   79.142  583.416   10.087  579.493   10.078 3.922424 14.25891 
1 1 1   -9    3   31 o  645.525   7.7452  2826.28   67.752  2837.40   96.028  2815.25   95.606  646.790   10.956  644.261   10.951 2.528870 15.49032 
1 1 1   -9    3   32 o  298.478   4.7691  603.511   19.284  584.466   26.919  623.588   27.638  293.643   6.7647  303.312   6.7242 -9.669098 9.538130 
1 1 1   -9    3   33 o  512.039   9.2291  1779.12   64.035  1800.96   90.478  1757.19   90.641  515.193   12.960  508.885   13.144 6.308563 18.45828 
1 1 1   -9    3   34 o  465.067   7.4392  1467.33   44.377  1465.45   76.222  1468.29   54.581  464.772   12.102  465.363   8.6550 -0.5905762 14.87848 
1 1 1   -9    3   35 o  325.990   4.9881  720.186   22.032  737.052   31.414  703.857   30.909  329.746   7.0300  322.234   7.0784 7.511810 9.976223 
1 1 1   -9    3   36 o  534.701   6.7212  1938.26   48.695  1905.23   68.202  1972.61   69.546  530.055   9.4950  539.346   9.5153 -9.291260 13.44236 
1 1 1   -9    3   37 o  430.608   5.8231  1256.99   33.977  1276.07   48.372  1238.41   47.735  433.832   8.2280  427.383   8.2422 6.449066 11.64615 
1 1 1   -9    3   38 o  564.625   7.0085  2162.19   53.625  2153.80   75.659  2170.66   76.016  563.524   9.9075  565.725   9.9156 -2.201416 14.01706 
1 1 1   -9    3   39 f  481.870   6.2673  1574.49   40.924  1591.41   58.178  1557.92   57.575  484.432   8.8623  479.307   8.8642 5.124878 12.53454 
1 1 1   -9    3   40 o  327.782   5.0467  728.300   22.415  742.590   31.898  714.362   31.504  330.958   7.1124  324.606   7.1619 6.352417 10.09346 
1 1 1   -9    3   41 o  731.277   8.6390  3626.78   85.570  3523.09  118.812  3738.53  123.343  720.432   12.170  742.122   12.265 -21.68982 17.27795 
1 1 1   -9    3   42 o  754.284   8.8642  3862.51   90.601  3906.43  128.972  3819.72  127.302  758.515   12.547  750.052   12.524 8.463318 17.72841 
1 1 1   -9    3   43 o  826.268   9.5861  4636.70  107.324  4574.42  150.415  4701.30  153.181  820.621   13.526  831.914   13.588 -11.29333 19.17218 
1 1 1   -9    3   44 o  567.041   8.6666  2183.67   62.845  2182.61  108.609  2184.21   77.055  566.730   14.142  567.351   10.022 -0.6203613 17.33313 
1 1 1   -9    3   45 o  432.258   7.1225  1246.63   39.143  1208.13   47.374  1329.47   69.491  422.030   8.2835  442.486   11.589 -20.45584 14.24498 
1 1 1   -9    3   46 o  243.930   5.5951  404.831   17.594  407.625   21.792  399.600   29.817  245.184   6.5586  242.676   9.0668 2.508026 11.19024 
1 1 1   -9    3   47 o  284.148   4.8364  547.424   18.620  561.800   26.543  533.496   26.127  287.821   6.8052  280.475   6.8740 7.346649 9.672725 
1 1 1   -9    3   48 o  511.136   6.5745  1772.92   45.532  1809.85   65.012  1737.36   63.790  516.360   9.2909  505.911   9.3046 10.44809 13.14898 
1 1 1   -9    3   49 o  500.911   6.5141  1703.26   44.215  1691.22   62.063  1715.67   63.006  499.117   9.1759  502.704   9.2488 -3.587219 13.02830 
1 1 1   -9    3   50 o  566.623   8.7307  2167.36   62.694  2137.94   75.957  2230.25  111.049  561.012   9.9911  572.235   14.320 -11.22363 17.46132 
1 1 1   -9    3   51 o  325.624   5.1396  719.387   22.678  732.017   32.268  707.062   31.877  328.449   7.2498  322.799   7.2873 5.649658 10.27927 
1 1 1   -9    3   52 o  204.874   5.6330  283.896   14.723  288.060   25.662  281.853   17.976  205.924   9.1961  203.824   6.5080 2.100037 11.26595 
1 1 1   -9    3   53 o  237.549   4.6757  382.903   15.051  384.331   21.266  381.469   21.306  237.993   6.5940  237.104   6.6309 0.8897095 9.351412 
1 1 1   -9    3   54 o  515.011   6.6574  1800.60   46.433  1877.32   67.042  1729.88   64.372  525.541   9.4137  504.481   9.4161 21.05917 13.31471 
1 1 1   -9    3   55 o  584.479   7.2945  2324.10   57.775  2314.86   81.443  2333.45   81.973  583.313   10.303  585.645   10.329 -2.331970 14.58902 
1 1 1   -9    3   56 o  370.141   5.4688  930.422   27.428  947.266   39.067  914.048   38.518  373.446   7.7197  366.836   7.7484 6.609467 10.93756 
1 1 1   -9    3   57 o  200.876   4.6165  273.907   12.566  277.146   17.832  270.710   17.712  202.057   6.5124  199.695   6.5451 2.361801 9.233042 
1 1 1   -9    3   58 o  111.393   5.9725   81.871   8.7077   75.444   10.806   93.773   14.705  105.379   7.5672  117.408   9.2422 -12.02876 11.94494 
1 1 1   -9    3   59 o  347.197   7.5185  820.899   35.356  835.769   50.986  807.125   49.072  350.203   10.744  344.190   10.521 6.013214 15.03704 
1 1 1   -9    3   60 o  375.727   7.8924  959.687   40.185   0.0000   0.0000  959.687   40.185  ?   ?   375.727   7.8924      ?      ? 
1 1 1   -9    3   61 o  398.262   5.7288  1078.62   30.917  1088.76   43.890  1068.64   43.560  400.121   8.0945  396.403   8.1090 3.717590 11.45759 
1 1 1   -9    3   62 o  355.181   6.5226  831.744   29.404  784.987   35.352  936.691   52.964  339.777   7.6779  370.586   10.547 -30.80841 13.04529 
1 1 1   -9    3   63 o  242.894   5.8672  406.261   18.359  417.590   22.856  385.660   30.821  247.895   6.8037  237.893   9.5606 10.00192 11.73434 
1 1 1   -9    3   64 o  262.883   4.9139  469.699   17.504  478.744   24.885  460.841   24.625  265.391   6.9195  260.375   6.9792 5.016663 9.827899 
1 1 1   -9    3   65 o  293.135   6.2942  577.461   23.226  564.337   27.917  606.974   41.863  288.084   7.1511  298.187   10.360 -10.10263 12.58835 
1 1 1   -9    3   66 o  148.064   4.9765  149.124   9.9799  150.499   13.929  147.673   14.306  148.775   6.9089  147.353   7.1643 1.422531 9.952909 
1 1 1   -9    3   67 o  176.102   4.8390  210.889   11.548  209.537   16.345  212.236   16.317  175.536   6.8711  176.668   6.8157 -1.131989 9.678082 
1 1 1   -9    3   68 o  243.760   6.0990  400.457   18.843  417.885   33.473  392.372   22.799  247.352   9.9860  240.169   7.0052 7.183350 12.19809 
1 1 1   -9    3   69 o  140.457   5.1199  134.251   9.7435  134.837   13.920  133.688   13.643  140.752   7.2979  140.161   7.1829 0.5912628 10.23982 
1 1 1   -9    3   70 o  299.889   5.1494  611.619   20.913  643.330   30.059  581.870   29.114  307.429   7.2153  292.350   7.3489 15.07864 10.29886 
1 1 1   -9    3   71 o  200.407   4.8970  273.038   13.283  254.612   18.475  292.754   19.110  193.400   7.0494  207.414   6.7991 -14.01419 9.793918 
1 1 1   -9    3   72 o   74.886   7.1164   38.555   7.1422   45.699   10.204   31.692   10.000   81.780   9.2074   67.992   10.853 13.78767 14.23286 
1 1 1   -9    3   73 o  139.722   5.1697  133.036   9.7883  131.916   13.808  134.167   13.878  139.130   7.3237  140.314   7.2985 -1.184601 10.33948 
1 1 1   -9    3   74 o  192.967   5.8940  249.181   14.659  270.993   25.404  238.293   17.949  198.952   9.4225  186.983   7.0835 11.96857 11.78809 
1 1 1   -9    3   75 f  224.678   5.9598  340.499   17.220  359.995   29.798  330.724   21.100  229.138   9.5963  220.219   7.0703 8.919006 11.91967 
1 1 1   -9    3   76 o  282.495   5.1238  544.753   19.614  538.984   27.566  550.669   27.914  280.982   7.2395  284.007   7.2528 -3.025360 10.24761 
1 1 1   -9    3   77 o  200.628   4.9571  273.850   13.448  251.116   18.434  299.716   19.663  191.741   7.0943  209.514   6.9254 -17.77393 9.914136 
1 1 1   -9    3   78 o  164.547   6.0219  184.959   12.758  183.035   15.722  188.669   21.830  163.623   7.0907  165.471   9.7352 -1.847458 12.04376 
1 1 1   -9    3   79 o  116.927   7.0838   96.560   10.366  100.257   12.611   88.856   18.204  120.927   7.6956  112.928   11.895 7.998734 14.16761 
1 1 1   -9    3   80 o  153.719   5.0899  162.008   10.599  164.330   14.877  159.613   15.105  154.865   7.0889  152.573   7.3058 2.291245 10.17974 
1 1 1   -9    3   81 o   87.146   6.3305   52.611   7.4421   58.552   10.561   46.751   10.489   92.137   8.4584   82.156   9.4212 9.981056 12.66107 
1 1 1   -9    3   82 o   87.311   7.8383   55.735   8.5898   46.540   14.520   60.686   10.654   80.907   13.243   93.716   8.3893 -12.80898 15.67660 
1 1 1   -9    3   83 o   49.138   10.310   16.598   6.9891   22.135   12.419   14.031   8.4553   54.329   15.872   43.947   13.164 10.38230 20.62085 
1 1 1   -9    3   84 o   70.583   8.6962   32.549   7.7530   48.643   13.922   25.314   9.3342   82.508   12.452   58.658   12.143 23.84998 17.39242 
1 1 1   -9    3   85 o   75.851   8.7062   42.601   8.2294   44.490   10.272   39.216   13.751   79.628   9.5191   72.074   14.580 7.553909 17.41247 
1 1 1   -9    3   86 o   79.433   7.8603   41.354   7.9720   34.727   9.5256   56.845   14.565   70.068   10.032   88.798   12.103 -18.73037 15.72061 
1 1 1   -9    3   87 f   47.277   10.174   17.232   7.0896   14.221   11.647   19.003   8.9357   44.537   15.614   50.017   13.047 -5.479668 20.34763 
1 1 1   -9    3   88 o   62.859   9.4029   28.191   7.5331   39.037   12.799   22.441   9.3180   71.495   13.709   54.224   12.873 17.27091 18.80588 
1 1 1   -9    3   89 o   67.470   9.2816   36.358   7.7307   28.819   13.267   40.234   9.5125   59.770   16.043   75.170   9.3383 -15.40003 18.56321 
1 1 1   -9    3   90 o   57.438   10.722   26.382   8.5389   31.250   12.317   21.877   11.848   62.714   14.742   52.161   15.573 10.55304 21.44405 
1 1 1   -9    3   91 o   37.953   14.976   8.4895   11.361   8.4895   11.361   0.0000   0.0000   37.953   14.976  ?   ?       ?      ? 
1 1 1   -9    3   92 o  131.436   10.507  126.261   18.714  126.261   18.714   0.0000   0.0000  131.436   10.507  ?   ?       ?      ? 
1 1 1   -9    3   93 f  106.347   11.562   84.348   16.662   84.348   16.662   0.0000   0.0000  106.347   11.562  ?   ?       ?      ? 
1 1 1   -9    4    1 o  425.553   7.9282  1228.19   45.721  1228.19   45.721   0.0000   0.0000  425.553   7.9282  ?   ?       ?      ? 
1 1 1   -9    4    2 o  363.650   5.0853  896.617   25.059  908.350   35.631  885.134   35.249  366.004   7.1839  361.296   7.1995 4.708160 10.17063 
1 1 1   -9    4    3 o  354.366   5.0117  851.460   24.066  857.130   34.122  845.847   33.949  355.540   7.0821  353.191   7.0931 2.348175 10.02335 
1 1 1   -9    4    4 o  460.526   5.9445  1435.95   37.065  1510.50   53.725  1368.25   51.203  471.911   8.4011  449.141   8.4125 22.77069 11.88900 
1 1 1   -9    4    5 o  475.480   6.9218  1517.71   38.683  1501.60   44.589  1566.74   77.777  470.594   6.9920  480.365   11.948 -9.771088 13.84355 
1 1 1   -9    4    6 o  353.372   5.7187  851.699   24.064  857.026   28.045  836.828   46.855  355.560   5.8205  351.184   9.8456 4.376404 11.43736 
1 1 1   -9    4    7 o  363.416   5.8878  917.937   25.654  944.944   30.198  847.916   48.624  373.347   5.9688  353.485   10.151 19.86194 11.77563 
1 1 1   -9    4    8 f  392.627   6.5573  1056.79   33.393  1085.24   41.884  1007.16   55.319  400.032   7.7263  385.222   10.597 14.81064 13.11452 
1 1 1   -9    4    9 o  507.292   9.0934  1746.16   62.479  1685.35   86.706  1811.84   90.111  498.116   12.845  516.467   12.875 -18.35095 18.18687 
1 1 1   -9    4   10 o  457.117   7.2773  1407.58   42.182  1388.69   51.127  1447.85   74.648  452.477   8.3381  461.758   11.930 -9.281006 14.55463 
1 1 1   -9    4   11 o  346.642   4.9835  814.753   23.409  807.921   32.969  821.700   33.244  345.177   7.0482  348.108   7.0472 -2.931091 9.966928 
1 1 1   -9    4   12 o  235.511   4.2103  375.976   13.435  368.033   18.893  384.102   19.110  232.994   5.9838  238.028   5.9245 -5.033463 8.420506 
1 1 1   -9    4   13 o  441.304   5.7828  1320.86   34.581  1332.58   49.139  1309.36   48.675  443.243   8.1810  439.365   8.1752 3.878448 11.56555 
1 1 1   -9    4   14 o  487.598   7.6546  1617.36   47.582  1624.15   58.217  1603.71   82.579  489.297   8.7800  485.899   12.541 3.397461 15.30920 
1 1 1   -9    4   15 f  447.123   7.2026  1348.07   40.837  1332.34   49.518  1381.53   72.200  443.197   8.2449  451.050   11.812 -7.852600 14.40511 
1 1 1   -9    4   16 f  492.917   6.2560  1647.94   41.783  1622.82   58.583  1673.95   59.611  489.095   8.8389  496.739   8.8556 -7.644226 12.51191 
1 1 1   -9    4   17 o  731.075   8.5560  3629.36   84.762  3660.44  120.459  3598.89  119.292  734.173   12.108  727.977   12.092 6.196289 17.11191 
1 1 1   -9    4   18 o  617.971   7.4475  2590.49   62.350  2531.34   86.946  2653.12   89.461  610.714   10.506  625.227   10.559 -14.51251 14.89493 
1 1 1   -9    4   19 o  507.500   6.4044  1746.69   44.039  1715.58   61.647  1779.10   62.933  502.888   9.0461  512.112   9.0683 -9.224182 12.80884 
1 1 1   -9    4   20 o  435.574   5.7674  1286.49   34.040  1268.90   47.787  1304.60   48.502  432.553   8.1524  438.595   8.1604 -6.042328 11.53485 
1 1 1   -9    4   21 o  224.326   4.2550  341.052   12.933  333.400   18.153  348.940   18.431  221.770   6.0403  226.881   5.9947 -5.110474 8.510077 
1 1 1   -9    4   22 o  494.144   7.7041  1678.33   49.143  1730.81   61.369  1584.53   82.046  505.167   8.9646  483.121   12.532 22.04584 15.40828 
1 1 1   -9    4   23 o  830.778   11.714  4696.13  124.570  4706.46  152.971  4675.79  214.630  832.562   13.558  828.993   19.105 3.569153 23.42750 
1 1 1   -9    4   24 o  497.261   7.7294  1685.96   49.412  1704.60   61.085  1650.67   84.041  501.360   8.9909  493.162   12.575 8.197235 15.45881 
1 1 1   -9    4   25 o  599.560   7.3074  2435.85   59.342  2519.73   85.558  2358.09   82.375  609.495   10.359  589.625   10.310 19.87024 14.61478 
1 1 1   -9    4   26 o  525.158   13.294  1871.73   94.609  1871.73   94.609   0.0000   0.0000  525.158   13.294  ?   ?       ?      ? 
1 1 1   -9    4   27 o  572.359   7.0590  2219.44   54.724  2299.70   78.873  2144.93   75.990  582.326   9.9949  562.391   9.9709 19.93524 14.11797 
1 1 1   -9    4   28 o  731.631   8.6029  3631.18   85.290  3672.85  121.348  3590.49  119.900  735.778   12.170  727.483   12.162 8.294861 17.20577 
1 1 1   -9    4   29 o  469.782   6.1229  1496.28   38.979  1504.82   55.247  1487.82   55.004  471.116   8.6536  468.448   8.6646 2.667694 12.24581 
1 1 1   -9    4   30 o  606.160   7.3892  2490.27   60.677  2561.59   87.128  2423.11   84.551  614.580   10.462  597.739   10.438 16.84137 14.77834 
1 1 1   -9    4   31 o  626.686   9.2331  2630.46   73.419  2762.18  130.393  2569.31   88.841  637.876   15.085  615.496   10.651 22.37964 18.46612 
1 1 1   -9    4   32 o  395.963   7.8116  1063.15   41.900  1053.75   58.353  1073.16   60.201  394.161   10.925  397.765   11.169 -3.603943 15.62320 
1 1 1   -9    4   33 o  775.139   9.0421  4076.67   94.978  4051.93  133.759  4101.84  134.886  772.768   12.773  777.510   12.802 -4.742432 18.08427 
1 1 1   -9    4   34 o  298.516   4.8387  603.915   19.570  620.326   27.881  587.977   27.477  302.513   6.8011  294.518   6.8844 7.994843 9.677336 
1 1 1   -9    4   35 o  448.031   5.9820  1360.62   36.314  1387.60   51.851  1334.65   50.874  452.389   8.4579  443.673   8.4616 8.716217 11.96391 
1 1 1   -9    4   36 o  723.472   8.5446  3550.90   83.764  3503.62  117.501  3599.76  119.444  718.578   12.067  728.367   12.101 -9.788574 17.08927 
1 1 1   -9    4   37 o  487.518   6.3259  1611.34   41.787  1639.38   59.648  1584.32   58.559  491.681   8.9522  483.354   8.9401 8.326294 12.65179 
1 1 1   -9    4   38 o  544.357   6.8406  2009.87   50.461  2008.19   71.283  2011.56   71.443  544.129   9.6672  544.586   9.6808 -0.4567261 13.68111 
1 1 1   -9    4   39 o  439.418   5.9187  1309.09   35.240  1333.24   50.259  1285.73   49.426  443.403   8.3644  435.432   8.3763 7.971436 11.83744 
1 1 1   -9    4   40 f  369.246   5.3687  924.207   26.860  945.714   38.346  903.489   37.635  373.462   7.5768  365.029   7.6082 8.433655 10.73745 
1 1 1   -9    4   41 o  401.728   7.9417  1094.42   43.234  1094.42   43.234   0.0000   0.0000  401.728   7.9417  ?   ?       ?      ? 
1 1 1   -9    4   42 o  805.863   9.3906  4409.65  102.533  4493.90  146.673  4329.12  143.389  813.385   13.307  798.342   13.254 15.04327 18.78126 
1 1 1   -9    4   43 o  428.316   7.2116  1255.77   39.660  1210.73   67.352  1279.67   49.069  422.276   11.770  434.357   8.3364 -12.08133 14.42317 
1 1 1   -9    4   44 o  160.715   4.5568  174.989   9.9201  168.806   13.816  181.568   14.252  157.787   6.4615  163.643   6.4270 -5.856415 9.113556 
1 1 1   -9    4   45 o  260.984   5.6125  447.753   18.754  420.945   22.723  505.028   33.213  249.151   6.7300  272.817   8.9837 -23.66623 11.22491 
1 1 1   -9    4   46 o  315.349   5.0419  674.378   21.544  686.621   30.655  662.429   30.285  318.177   7.1096  312.520   7.1511 5.657318 10.08385 
1 1 1   -9    4   47 o  181.702   4.5395  223.902   11.177  227.244   15.832  220.581   15.782  183.055   6.3821  180.349   6.4574 2.705582 9.079089 
1 1 1   -9    4   48 o  277.703   6.0995  534.490   21.458  556.410   26.363  491.460   36.937  286.409   6.7925  268.996   10.133 17.41266 12.19890 
1 1 1   -9    4   49 o  293.303   6.1490  583.559   22.775  582.748   27.584  585.296   40.370  293.086   6.9451  293.521   10.149 -0.4342651 12.29799 
1 1 1   -9    4   50 o  425.605   5.8677  1229.70   33.842  1227.05   47.747  1232.39   47.973  425.145   8.2876  426.066   8.3087 -0.9210815 11.73535 
1 1 1   -9    4   51 o  349.400   6.4899  830.245   29.037  826.430   49.992  832.188   35.671  348.646   10.581  350.154   7.5175 -1.508453 12.97972 
1 1 1   -9    4   52 o  282.899   5.9914  543.002   21.693  545.267   37.471  541.859   26.606  283.233   9.7626  282.566   6.9482 0.6668396 11.98270 
1 1 1   -9    4   53 o  465.573   6.2340  1472.03   39.320  1440.33   54.841  1505.57   56.406  460.421   8.7896  470.724   8.8425 -10.30350 12.46790 
1 1 1   -9    4   54 o  253.404   5.8430  446.938   19.113  475.408   24.104  398.711   31.371  264.655   6.7208  242.153   9.5601 22.50145 11.68607 
1 1 1   -9    4   55 o  169.767   5.8669  203.226   12.752  170.966   20.898  222.362   16.096  158.538   9.7273  180.996   6.5623 -22.45766 11.73384 
1 1 1   -9    4   56 o  321.199   5.1519  700.638   22.424  704.627   31.841  696.714   31.586  322.105   7.2947  320.293   7.2771 1.811951 10.30386 
1 1 1   -9    4   57 o  266.953   4.8575  483.916   17.572  480.223   24.799  487.641   24.903  265.929   6.8814  267.977   6.8576 -2.047974 9.715007 
1 1 1   -9    4   58 o  241.511   4.7872  395.902   15.663  404.954   22.479  387.360   21.837  244.191   6.7932  238.831   6.7471 5.360077 9.574447 
1 1 1   -9    4   59 o  284.897   6.0296  547.304   21.969  566.413   38.280  537.919   26.826  288.399   9.7947  281.395   7.0349 7.004517 12.05927 
1 1 1   -9    4   60 o  250.491   4.8186  426.081   16.348  446.355   23.355  406.605   22.891  256.339   6.7232  244.643   6.9047 11.69695 9.637248 
1 1 1   -9    4   61 o  286.409   4.9867  557.446   19.354  560.206   27.393  554.694   27.350  287.119   7.0403  285.700   7.0642 1.418762 9.973363 
1 1 1   -9    4   62 o  197.854   5.5563  258.346   14.210  241.489   17.385  292.278   24.666  188.515   6.8054  207.194   8.7850 -18.67917 11.11256 
1 1 1   -9    4   63 o  238.455   5.7222  375.171   17.506  352.447   21.258  423.067   30.861  227.716   6.8887  249.194   9.1389 -21.47807 11.44437 
1 1 1   -9    4   64 o  202.624   5.9720  277.176   15.215  273.248   18.305  285.954   27.365  200.503   6.7369  204.745   9.8626 -4.242279 11.94393 
1 1 1   -9    4   65 o  195.124   4.7784  258.848   12.618  276.626   17.988  241.622   17.706  201.738   6.5797  188.510   6.9312 13.22777 9.556846 
1 1 1   -9    4   66 o   97.439   5.7052   64.675   7.5300   66.556   10.615   62.770   10.683   98.874   7.9226   96.004   8.2115 2.870010 11.41038 
1 1 1   -9    4   67 o  245.441   4.9074  409.695   16.321  401.582   22.956  417.987   23.208  242.980   6.9717  247.902   6.9084 -4.922012 9.814826 
1 1 1   -9    4   68 o  336.544   6.6661  776.126   28.644  763.997   49.436  782.256   35.145  334.134   10.918  338.953   7.6514 -4.819580 13.33217 
1 1 1   -9    4   69 o  277.355   5.0645  523.221   19.027  545.164   27.265  502.392   26.565  283.029   7.1089  271.681   7.2154 11.34763 10.12908 
1 1 1   -9    4   70 o  298.143   5.1632  605.243   20.861  607.296   29.533  603.199   29.470  298.649   7.2973  297.638   7.3065 1.010834 10.32650 
1 1 1   -9    4   71 o  147.799   5.1160  148.811   10.244  151.936   14.437  145.643   14.537  149.373   7.1324  146.225   7.3364 3.147186 10.23195 
1 1 1   -9    4   72 o  226.961   4.8859  350.784   15.026  356.740   21.299  344.883   21.202  228.886   6.8668  225.036   6.9525 3.850006 9.771877 
1 1 1   -9    4   73 o  116.131   6.5112   89.272   9.7715  102.135   17.001   82.926   11.941  122.037   10.280  110.225   7.9943 11.81209 13.02246 
1 1 1   -9    4   74 o  191.136   4.9457  249.018   12.786  228.900   17.881  270.065   18.289  183.203   7.2024  199.069   6.7796 -15.86650 9.891312 
1 1 1   -9    4   75 o  132.557   5.2160  119.894   9.3638  114.074   13.087  125.998   13.404  129.250   7.4718  135.864   7.2801 -6.613998 10.43201 
1 1 1   -9    4   76 o   80.506   6.7118   44.547   7.2646   37.520   10.085   52.124   10.473   73.834   10.080   87.178   8.8650 -13.34469 13.42358 
1 1 1   -9    4   77 o   82.001   6.6219   46.239   7.3492   45.982   10.131   46.524   10.677   81.790   9.1403   82.212   9.5840 -0.4222870 13.24378 
1 1 1   -9    4   78 o  133.261   7.2712  121.555   13.131  121.555   13.131   0.0000   0.0000  133.261   7.2712  ?   ?       ?      ? 
1 1 1   -9    4   79 o   78.860   6.7067   43.023   7.1546   44.627   9.9598   41.314   10.284   80.434   9.1376   77.285   9.8196 3.148628 13.41341 
1 1 1   -9    4   80 o   36.223   9.2527   7.8634   5.8346   9.1151   8.4279   6.7113   8.0854   37.819   13.281   34.627   12.887 3.191170 18.50543 
1 1 1   -9    4   81 o   75.887   6.6533   40.055   6.8026   45.229   9.6732   34.993   9.5684   80.854   8.8285   70.920   9.9560 9.933777 13.30661 
1 1 1   -9    4   82 o   60.574   9.7845   26.559   7.4877   29.226   13.115   25.268   9.1204   62.266   15.580   58.882   11.841 3.384377 19.56910 
1 1 1   -9    4   83 o  117.661   6.6858   98.245   9.9572   91.854   17.178  101.479   12.219  114.072   11.113  121.250   7.4366 -7.177986 13.37150 
1 1 1   -9    4   84 o  114.352   5.4464   90.591   8.4393   91.622   11.921   89.554   11.949  115.022   7.6477  113.682   7.7566 1.340668 10.89278 
1 1 1   -9    4   85 o   30.915   8.6670   3.3326   5.6683   7.8789   7.9541  -1.3586   8.0799   35.379   12.846   26.450   11.638 8.929600 17.33391 
1 1 1   -9    4   86 o   67.215   8.8055   30.436   7.6128   51.018   12.768   19.084   9.4827   84.356   11.170   50.073   13.616 34.28281 17.61100 
1 1 1   -9    4   87 o  148.252   6.1919  154.627   11.910  155.382   19.924  154.207   14.856  147.710   9.9538  148.794   7.3676 -1.083176 12.38388 
1 1 1   -9    4   88 f   51.969   10.129   20.954   7.1476   21.246   12.128   20.799   8.8475   51.788   15.822   52.150   12.649 -0.3615532 20.25711 
1 1 1   -9    4   89 o  110.442   8.1035   88.846   12.084   84.351   16.277   94.365   18.038  107.552   11.168  113.332   11.745 -5.780426 16.20696 
1 1 1   -9    4   90 o  115.416   10.884   97.257   17.024   97.257   17.024   0.0000   0.0000  115.416   10.884  ?   ?       ?      ? 
1 1 1   -9    4   91 o   88.867   12.086   58.947   14.554   58.947   14.554   0.0000   0.0000   88.867   12.086  ?   ?       ?      ? 
1 1 1   -9    4   92 o   48.811   15.729   19.450   11.830   19.450   11.830   0.0000   0.0000   48.811   15.729  ?   ?       ?      ? 
1 1 1   -9    4   93 o   84.141   12.709   53.985   14.491   53.985   14.491   0.0000   0.0000   84.141   12.709  ?   ?       ?      ? 
1 1 1   -9    4   94 o   97.696   11.750   72.013   15.556   72.013   15.556   0.0000   0.0000   97.696   11.750  ?   ?       ?      ? 
1 1 1   -9    5    1 o  127.627   3.8114  110.361   6.5835  102.802   9.1970  118.304   9.4283  123.147   5.5111  132.108   5.2665 -8.961365 7.622864 
1 1 1   -9    5    2 o  136.220   3.8172  125.763   7.0428  120.272   9.8855  131.422   10.036  133.200   5.4766  139.239   5.3190 -6.039520 7.634422 
1 1 1   -9    5    3 o  377.593   5.2247  966.821   26.733  976.623   37.970  957.186   37.645  379.491   7.3835  375.695   7.3941 3.795776 10.44932 
1 1 1   -9    5    4 o  727.808   12.059  3597.32  118.937  3597.32  118.937   0.0000   0.0000  727.808   12.059  ?   ?       ?      ? 
1 1 1   -9    5    5 o  650.760   7.7592  2874.00   68.416  2927.50   97.772  2822.69   95.768  656.689   10.987  644.830   10.959 11.85938 15.51840 
1 1 1   -9    5    6 o  399.853   6.5543  1063.41   33.563  1022.08   40.842  1149.37   58.900  388.204   7.7637  411.503   10.562 -23.29910 13.10864 
1 1 1   -9    5    7 o  163.026   4.5905  175.630   9.9123  160.204   12.535  201.372   16.193  153.723   6.0174  172.329   6.9341 -18.60677 9.180995 
1 1 1   -9    5    8 o  128.531   4.1416  109.678   6.6432  106.238   7.9113  117.906   12.233  125.196   4.6631  131.866   6.8458 -6.670258 8.283102 
1 1 1   -9    5    9 o  316.063   5.3478  662.113   20.043  646.436   23.139  709.230   40.114  308.804   5.5293  323.322   9.1554 -14.51730 10.69551 
1 1 1   -9    5   10 o  353.101   5.8028  861.949   24.569  881.528   28.870  810.535   46.784  360.599   5.9080  345.602   9.9894 14.99762 11.60569 
1 1 1   -9    5   11 o  349.581   5.0278  827.898   23.807  796.792   33.116  861.171   34.249  342.790   7.1289  356.371   7.0920 -13.58099 10.05567 
1 1 1   -9    5   12 o  288.152   4.5713  562.861   17.849  572.711   25.410  553.268   25.077  290.640   6.4516  285.663   6.4779 4.976959 9.142553 
1 1 1   -9    5   13 o  365.367   7.4252  905.969   36.763  904.938   51.836  907.012   52.148  365.160   10.475  365.575   10.526 -0.4154053 14.85039 
1 1 1   -9    5   14 o  515.447   9.2431  1804.59   64.563  1802.64   91.164  1806.55   91.447  515.169   13.058  515.725   13.085 -0.5559692 18.48615 
1 1 1   -9    5   15 o  263.650   5.5211  465.571   18.371  455.785   22.134  487.243   32.938  259.289   6.2992  268.010   9.0692 -8.720337 11.04217 
1 1 1   -9    5   16 o  461.915   5.9917  1446.06   37.493  1491.34   53.853  1403.47   52.229  468.928   8.4747  454.903   8.4725 14.02463 11.98348 
1 1 1   -9    5   17 o  494.352   6.2919  1654.31   42.109  1739.48   61.164  1577.57   58.059  506.424   8.9125  482.280   8.8836 24.14334 12.58374 
1 1 1   -9    5   18 o  374.444   6.4292  968.802   31.152  1015.99   39.212  888.048   51.294  387.099   7.4750  361.788   10.462 25.31158 12.85830 
1 1 1   -9    5   19 o  565.554   8.4371  2117.68   60.214  2030.99   72.228  2315.20  109.031  547.196   9.7404  583.912   13.779 -36.71667 16.87420 
1 1 1   -9    5   20 o  461.470   7.2592  1411.16   42.463  1353.94   51.143  1538.14   76.189  446.844   8.4460  476.096   11.809 -29.25217 14.51850 
1 1 1   -9    5   21 o  672.600   7.9945  3068.33   72.856  3016.43  101.953  3122.50  104.150  666.790   11.283  678.410   11.329 -11.61932 15.98906 
1 1 1   -9    5   22 o  432.850   8.1675  1270.30   47.908  1270.30   47.908   0.0000   0.0000  432.850   8.1675  ?   ?       ?      ? 
1 1 1   -9    5   23 o  500.144   6.3653  1696.14   43.141  1690.12   60.928  1702.19   61.094  499.254   9.0056  501.033   8.9981 -1.779663 12.73054 
1 1 1   -9    5   24 o  476.501   7.6062  1544.51   46.216  1526.72   80.115  1553.37   56.579  474.356   12.463  478.647   8.7228 -4.290741 15.21239 
1 1 1   -9    5   25 o  358.061   10.516  869.526   51.027  869.526   51.027   0.0000   0.0000  358.061   10.516  ?   ?       ?      ? 
1 1 1   -9    5   26 o  693.317   11.632  3260.73  109.285  3260.73  109.285   0.0000   0.0000  693.317   11.632  ?   ?       ?      ? 
1 1 1   -9    5   27 o  754.628   8.8251  3863.45   90.246  3843.89  127.197  3883.28  128.062  752.705   12.470  756.550   12.491 -3.844849 17.65016 
1 1 1   -9    5   28 o  526.169   6.6404  1876.32   47.336  1832.12   66.071  1922.94   67.852  519.805   9.3796  532.532   9.4023 -12.72772 13.28083 
1 1 1   -9    5   29 o  668.913   9.7330  2994.75   82.497  3153.79  146.995  2921.62   99.675  681.519   15.916  656.306   11.207 25.21320 19.46608 
1 1 1   -9    5   30 o  737.383   12.271  3693.45  122.616  3739.64  174.005  3647.89  172.810  741.968   17.306  732.799   17.402 9.168762 24.54235 
1 1 1   -9    5   31 o  411.312   6.9880  1148.93   36.582  1152.13   44.670  1142.42   63.746  412.243   7.9961  410.382   11.462 1.861511 13.97591 
1 1 1   -9    5   32 o  866.584   9.9725  5093.01  117.057  5247.78  168.674  4949.21  162.581  879.268   14.156  853.900   14.050 25.36786 19.94493 
1 1 1   -9    5   33 o  817.661   13.413  4537.64  148.624  4537.64  148.624   0.0000   0.0000  817.661   13.413  ?   ?       ?      ? 
1 1 1   -9    5   34 o  534.849   6.7598  1939.94   48.993  1957.68   69.512  1922.43   69.065  537.279   9.5472  532.419   9.5724 4.860535 13.51961 
1 1 1   -9    5   35 f  482.992   6.2838  1581.07   41.118  1540.18   57.371  1624.26   58.960  476.575   8.8833  489.409   8.8901 -12.83466 12.56770 
1 1 1   -9    5   36 o  283.368   4.7752  544.284   18.335  533.006   25.796  555.799   26.065  280.401   6.7887  286.335   6.7175 -5.934143 9.550471 
1 1 1   -9    5   37 o  465.923   8.7044  1472.20   54.958  1472.20   54.958   0.0000   0.0000  465.923   8.7044  ?   ?       ?      ? 
1 1 1   -9    5   38 o  915.119   10.489  5686.75  130.037  5819.42  186.676  5561.69  181.244  925.473   14.885  904.764   14.782 20.70874 20.97800 
1 1 1   -9    5   39 f  764.634   12.683  3970.01  131.415  3970.01  131.415   0.0000   0.0000  764.634   12.683  ?   ?       ?      ? 
1 1 1   -9    5   40 o  842.537   13.790  4822.57  157.446  4822.57  157.446   0.0000   0.0000  842.537   13.790  ?   ?       ?      ? 
1 1 1   -9    5   41 o  676.724   9.9496  3073.66   85.222  3218.84  151.958  3007.04  102.934  687.902   16.301  665.545   11.413 22.35651 19.89921 
1 1 1   -9    5   42 o  307.562   6.2601  660.898   24.704  578.003   40.830  708.773   31.029  291.824   10.325  323.299   7.0824 -31.47455 12.52023 
1 1 1   -9    5   43 o  496.182   7.7942  1634.30   48.964  1570.94   58.934  1775.53   87.982  481.169   9.0383  511.194   12.701 -30.02533 15.58839 
1 1 1   -9    5   44 o  615.959   9.1636  2527.88   71.354  2442.12   85.857  2719.39  128.300  599.727   10.564  632.192   14.976 -32.46503 18.32720 
1 1 1   -9    5   45 o  441.960   8.4566  1325.42   50.648  1325.42   50.648   0.0000   0.0000  441.960   8.4566  ?   ?       ?      ? 
1 1 1   -9    5   46 o  476.391   6.2990  1539.14   40.647  1494.04   56.476  1587.60   58.546  469.160   8.8831  483.622   8.9332 -14.46188 12.59804 
1 1 1   -9    5   47 o  285.764   6.1039  550.811   22.023  544.772   26.606  563.953   39.249  283.384   6.9281  288.143   10.052 -4.759064 12.20787 
1 1 1   -9    5   48 o  248.838   5.9737  425.381   18.778  434.657   22.889  406.284   32.843  253.127   6.6727  244.550   9.9103 8.576767 11.94736 
1 1 1   -9    5   49 o  456.149   6.1540  1412.44   38.032  1389.22   53.115  1436.87   54.482  452.308   8.6657  459.991   8.7402 -7.683075 12.30795 
1 1 1   -9    5   50 o  451.851   8.5521  1389.74   52.363  1368.34   73.825  1411.40   74.282  448.342   12.151  455.361   12.038 -7.018921 17.10428 
1 1 1   -9    5   51 o  228.768   5.6506  348.473   16.526  375.982   29.091  335.366   20.081  235.229   9.1261  222.307   6.6657 12.92139 11.30124 
1 1 1   -9    5   52 f  323.037   5.1467  708.159   22.525  688.968   31.522  728.183   32.199  318.565   7.3018  327.509   7.2550 -8.944580 10.29330 
1 1 1   -9    5   53 o  281.378   4.8922  537.414   18.653  545.398   26.517  529.592   26.245  283.448   6.9034  279.308   6.9339 4.139862 9.784451 
1 1 1   -9    5   54 o  195.110   4.6277  258.088   12.223  275.366   17.594  241.970   16.993  201.419   6.4458  188.800   6.6419 12.61902 9.255431 
1 1 1   -9    5   55 o  204.805   4.6561  284.720   12.922  288.572   18.392  280.965   18.158  206.173   6.5829  203.437   6.5864 2.735657 9.312122 
1 1 1   -9    5   56 o  356.954   5.3971  864.876   26.094  898.151   37.577  833.886   36.264  363.580   7.6267  350.329   7.6387 13.25037 10.79427 
1 1 1   -9    5   57 o  284.693   6.0353  540.839   21.863  581.043   38.808  522.147   26.461  292.132   9.8029  277.254   7.0429 14.87784 12.07061 
1 1 1   -9    5   58 o  257.259   5.8922  450.737   19.362  448.151   33.489  452.036   23.731  256.544   9.6328  257.974   6.7882 -1.429962 11.78437 
1 1 1   -9    5   59 o  218.682   4.7197  324.834   13.981  312.789   19.674  337.122   19.871  214.579   6.7659  222.785   6.5820 -8.205551 9.439309 
1 1 1   -9    5   60 o  330.753   5.2468  742.407   23.496  783.901   34.010  704.519   32.499  339.584   7.3906  321.923   7.4496 17.66113 10.49368 
1 1 1   -9    5   61 f  276.862   4.9621  520.846   18.615  509.530   26.097  532.565   26.559  273.800   7.0336  279.925   7.0014 -6.124695 9.924257 
1 1 1   -9    5   62 o  224.497   5.8760  351.926   16.984  374.815   21.366  312.642   27.992  234.847   6.7136  214.147   9.6456 20.69914 11.75207 
1 1 1   -9    5   63 o  296.520   6.3892  604.021   23.998  613.232   29.278  585.161   41.894  300.300   7.1945  292.740   10.561 7.559753 12.77844 
1 1 1   -9    5   64 o  151.208   4.9031  155.177   10.028  169.166   14.494  142.334   13.888  157.744   6.7806  144.671   7.0841 13.07243 9.806153 
1 1 1   -9    5   65 o  161.096   4.8388  176.471   10.561  171.762   14.887  181.243   14.986  158.926   6.9123  163.265   6.7733 -4.339142 9.677679 
1 1 1   -9    5   66 o  136.715   5.0678  127.179   9.3879  125.964   13.340  128.371   13.214  136.063   7.2348  137.367   7.0985 -1.304733 10.13566 
1 1 1   -9    5   67 o  108.808   7.1089   81.321   9.7600   79.709   17.210   82.085   11.850  107.839   11.777  109.776   7.9656 -1.936989 14.21783 
1 1 1   -9    5   68 o   78.462   9.3598   47.315   8.6276   33.106   15.095   54.208   10.514   67.774   16.574   89.150   8.7031 -21.37666 18.71968 
1 1 1   -9    5   69 o  194.442   4.8793  256.928   12.822  231.719   17.786  284.205   18.501  184.499   7.1139  204.385   6.6800 -19.88574 9.758550 
1 1 1   -9    5   70 o  166.301   4.9558  188.109   11.147  204.994   16.029  172.295   15.512  173.543   6.8156  159.059   7.1964 14.48317 9.911629 
1 1 1   -9    5   71 o  199.838   4.8799  271.915   13.214  266.007   18.585  277.954   18.790  197.638   6.9393  202.038   6.8630 -4.400482 9.759809 
1 1 1   -9    5   72 o  133.086   6.1935  118.575   10.708  129.705   18.256  112.737   13.222  137.605   9.7902  128.567   7.5889 9.037842 12.38705 
1 1 1   -9    5   73 o  120.315   5.4663   98.808   8.9118   99.538   12.698   98.100   12.510  120.750   7.7603  119.881   7.7008 0.8683014 10.93269 
1 1 1   -9    5   74 o  174.207   4.9370  207.048   11.653  211.652   16.470  202.433   16.488  176.160   6.8994  172.253   7.0635 3.906387 9.873972 
1 1 1   -9    5   75 o  153.683   5.0751  161.352   10.539  177.730   15.066  145.660   14.747  161.370   6.8895  145.997   7.4538 15.37297 10.15015 
1 1 1   -9    5   76 o   97.158   6.1226   65.277   7.9912   73.466   11.150   56.628   11.459  103.569   7.9444   90.747   9.3182 12.82258 12.24513 
1 1 1   -9    5   77 f  116.814   7.6525   93.491   12.114   93.491   12.114   0.0000   0.0000  116.814   7.6525  ?   ?       ?      ? 
1 1 1   -9    5   78 o   54.338   10.199   20.898   7.3788   18.964   9.1511   24.492   12.475   51.022   13.152   57.654   15.592 -6.632366 20.39833 
1 1 1   -9    5   79 o   29.108   8.5665   1.1606   5.7107   4.2759   8.0157  -2.0505   8.1380   31.856   12.576   26.359   11.635 5.497248 17.13309 
1 1 1   -9    5   80 o   95.577   6.0805   62.904   7.7264   47.741   10.534   80.561   11.367   82.976   9.3681  108.178   7.7541 -25.20170 12.16094 
1 1 1   -9    5   81 o  111.032   5.5210   85.187   8.2792   93.503   11.747   76.979   11.671  116.516   7.4395  105.547   8.1596 10.96922 11.04198 
1 1 1   -9    5   82 o   74.793   8.8501   41.689   8.1656   36.534   13.768   44.486   10.142   69.716   15.016   79.871   9.3703 -10.15499 17.70018 
1 1 1   -9    5   83 o  135.377   6.3018  124.015   10.915  139.507   19.310  116.742   13.231  140.844   10.117  129.909   7.5160 10.93552 12.60355 
1 1 1   -9    5   84 o   46.624   9.1156   16.098   6.0898   11.651   8.5015   20.785   8.7276   40.483   13.352   52.765   12.413 -12.28151 18.23129 
1 1 1   -9    5   85 o   28.634   8.7035  -0.5777   6.4200  -9.4173   10.622   4.5107   8.0587   25.656   12.043   31.613   12.569 -5.957001 17.40697 
1 1 1   -9    5   86 o   45.580   9.9581   14.062   6.8186   23.135   11.195   8.7116   8.5971   54.520   14.782   36.640   13.347 17.88002 19.91612 
1 1 1   -9    5   87 o   85.972   12.161   54.185   14.168   54.185   14.168   0.0000   0.0000   85.972   12.161  ?   ?       ?      ? 
1 1 1   -9    5   88 o   42.193   10.220   12.032   6.8946   18.255   11.482   8.5235   8.6221   48.247   15.490   36.139   13.336 12.10860 20.43997 
1 1 1   -9    5   89 o  107.942   8.4312   86.100   12.268   85.377   16.522   86.987   18.316  107.900   11.299  107.984   12.517 -0.8425903E-01 16.86230 
1 1 1   -9    5   90 o   85.983   12.313   55.303   14.347   55.303   14.347   0.0000   0.0000   85.983   12.313  ?   ?       ?      ? 
1 1 1   -9    5   91 f   81.219   12.472   49.745   13.727   49.745   13.727   0.0000   0.0000   81.219   12.472  ?   ?       ?      ? 
1 1 1   -9    5   92 o   66.083   14.607   35.339   12.733   35.339   12.733   0.0000   0.0000   66.083   14.607  ?   ?       ?      ? 
1 1 1   -9    5   93 o   56.002   15.830   26.493   12.547   26.493   12.547   0.0000   0.0000   56.002   15.830  ?   ?       ?      ? 
1 1 1   -9    5   94 f   39.525   15.469   10.758   12.034   10.758   12.034   0.0000   0.0000   39.525   15.469  ?   ?       ?      ? 
1 1 1   -9    6    1 o  459.510   7.2635  1453.43   43.241  1358.81   71.425  1508.18   54.329  447.438   11.780  471.582   8.5015 -24.14444 14.52709 
1 1 1   -9    6    2 o  457.021   7.2136  1428.60   42.560  1378.54   71.476  1456.10   52.975  450.674   11.703  463.368   8.4364 -12.69421 14.42723 
1 1 1   -9    6    3 o  555.830   8.4775  2072.78   59.370  2162.91  106.697  2032.36   71.453  564.303   13.953  547.357   9.6331 16.94580 16.95507 
1 1 1   -9    6    4 o  857.117   12.181  5058.87  134.468  4790.25  225.715  5206.66  167.420  838.731   19.859  875.502   14.111 -36.77100 24.36197 
1 1 1   -9    6    5 o  769.652   12.709  4021.87  132.555   0.0000   0.0000  4021.87  132.555  ?   ?   769.652   12.709      ?      ? 
1 1 1   -9    6    6 f  573.508   7.0364  2231.13   54.682  2253.31   77.869  2209.55   76.806  576.318   9.9706  570.698   9.9312 5.620361 14.07277 
1 1 1   -9    6    7 o  450.999   7.1364  1378.35   41.326  1375.02   50.848  1384.83   70.932  450.289   8.3329  451.709   11.588 -1.420044 14.27286 
1 1 1   -9    6    8 o  522.146   7.9113  1821.34   52.488  1769.73   63.525  1932.39   93.183  510.801   9.1772  533.492   12.889 -22.69061 15.82257 
1 1 1   -9    6    9 o  547.554   8.2028  1995.60   56.909  1928.11   68.612  2144.37  101.873  533.153   9.4966  561.955   13.378 -28.80145 16.40560 
1 1 1   -9    6   10 o  409.545   7.8535  1137.30   43.586  1137.30   43.586   0.0000   0.0000  409.545   7.8535  ?   ?       ?      ? 
1 1 1   -9    6   11 o  388.756   7.5894  1024.70   39.982  1024.70   39.982   0.0000   0.0000  388.756   7.5894  ?   ?       ?      ? 
1 1 1   -9    6   12 o  700.867   10.137  3395.55   92.178  3559.63  116.392  3119.51  150.968  724.239   11.859  677.494   16.444 46.74475 20.27398 
1 1 1   -9    6   13 o  590.157   8.7133  2292.94   64.666  2182.25   77.224  2552.69  118.304  567.200   10.047  613.114   14.239 -45.91376 17.42664 
1 1 1   -9    6   14 f  323.482   5.8022  692.895   24.020  661.315   29.170  759.425   42.338  312.333   6.8917  334.631   9.3364 -22.29727 11.60448 
1 1 1   -9    6   15 o  221.355   4.2578  331.782   12.764  347.828   18.360  316.772   17.758  226.531   5.9809  216.180   6.0616 10.35017 8.515514 
1 1 1   -9    6   16 o  236.984   4.3286  380.124   13.890  400.839   20.054  361.023   19.257  243.181   6.0855  230.786   6.1574 12.39453 8.657197 
1 1 1   -9    6   17 o  312.608   4.8076  662.323   20.364  670.974   29.038  653.951   28.567  314.616   6.8109  310.600   6.7870 4.016174 9.615165 
1 1 1   -9    6   18 o  468.950   7.4943  1478.91   44.497  1527.06   79.048  1456.58   53.836  474.406   12.296  463.495   8.5713 10.91092 14.98850 
1 1 1   -9    6   19 o  373.466   7.6020  946.019   38.473  953.247   54.501  938.840   54.318  374.889   10.728  372.044   10.774 2.845428 15.20406 
1 1 1   -9    6   20 o  334.909   6.2325  761.569   26.487  763.547   32.249  757.468   46.429  335.618   7.0907  334.200   10.252 1.418854 12.46505 
1 1 1   -9    6   21 o  452.350   5.9521  1387.29   36.486  1384.63   51.574  1389.95   51.624  451.917   8.4216  452.784   8.4135 -0.8666077 11.90417 
1 1 1   -9    6   22 o  562.495   8.5859  2163.43   61.876  2093.96  105.662  2199.69   76.333  555.450   14.037  569.539   9.8903 -14.08923 17.17175 
1 1 1   -9    6   23 o  872.786   20.123  5179.04  238.000  5179.04  238.000   0.0000   0.0000  872.786   20.123  ?   ?       ?      ? 
1 1 1   -9    6   24 o  647.340   7.7718  2839.37   68.142  2750.00   94.550  2935.97   98.293  636.753   10.957  657.927   11.025 -21.17389 15.54365 
1 1 1   -9    6   25 o  511.979   6.5120  1775.65   45.158  1834.82   65.092  1720.73   62.701  520.195   9.2338  503.764   9.1848 16.43066 13.02390 
1 1 1   -9    6   26 o  321.249   5.9560  694.288   24.531  716.191   42.508  683.352   30.037  324.988   9.6521  317.509   6.9810 7.478485 11.91208 
1 1 1   -9    6   27 o  176.030   5.1086  209.733   11.605  211.085   19.719  209.016   14.354  176.452   8.2468  175.609   6.0317 0.8428650 10.21720 
1 1 1   -9    6   28 o  399.726   5.5535  1081.57   30.060  1133.56   43.488  1034.01   41.596  408.910   7.8481  390.542   7.8596 18.36807 11.10700 
1 1 1   -9    6   29 o  453.822   7.4299  1402.65   42.983  1414.09   52.637  1379.74   74.463  456.690   8.5053  450.954   12.185 5.735718 14.85986 
1 1 1   -9    6   30 o  430.011   5.8190  1253.63   33.908  1262.98   48.120  1244.41   47.789  431.603   8.2273  428.418   8.2315 3.185150 11.63808 
1 1 1   -9    6   31 o  484.942   8.9065  1594.66   58.530  1594.66   58.530   0.0000   0.0000  484.942   8.9065  ?   ?       ?      ? 
1 1 1   -9    6   32 o  590.781   7.2574  2367.42   58.102  2366.92   82.190  2367.92   82.147  590.718   10.267  590.844   10.260 -0.1253662 14.51484 
1 1 1   -9    6   33 o  498.768   6.4283  1686.62   43.443  1654.89   60.851  1719.60   62.040  493.985   9.0902  503.551   9.0917 -9.565735 12.85657 
1 1 1   -9    6   34 f  300.624   6.9334  612.688   28.246  612.688   28.246   0.0000   0.0000  300.624   6.9334  ?   ?       ?      ? 
1 1 1   -9    6   35 o  424.040   5.8012  1218.80   33.329  1247.09   47.724  1191.88   46.564  428.840   8.2123  419.241   8.1961 9.598785 11.60248 
1 1 1   -9    6   36 o  740.364   8.7331  3716.62   87.560  3589.41  121.188  3855.56  126.651  727.132   12.299  753.596   12.402 -26.46381 17.46618 
1 1 1   -9    6   37 o  673.344   8.0850  3077.36   73.772  3059.51  103.886  3095.51  104.778  671.376   11.418  675.311   11.449 -3.934753 16.17006 
1 1 1   -9    6   38 o  901.167   10.369  5516.27  126.597  5648.47  181.661  5391.45  176.520  911.651   14.704  890.683   14.625 20.96832 20.73898 
1 1 1   -9    6   39 o  704.039   8.4160  3365.62   80.294  3358.34  113.489  3372.92  113.617  703.276   11.908  704.802   11.896 -1.526489 16.83197 
1 1 1   -9    6   40 o  372.715   6.6971  942.304   31.780  943.504   55.434  941.716   38.787  372.800   10.973  372.630   7.6812 0.1697083 13.39420 
1 1 1   -9    6   41 o  411.345   5.7411  1147.53   31.999  1129.31   44.852  1166.42   45.665  408.021   8.1117  414.669   8.1265 -6.648041 11.48217 
1 1 1   -9    6   42 o  178.727   5.2897  210.251   12.359  194.033   15.314  240.553   20.933  169.152   6.6806  188.301   8.2033 -19.14900 10.57947 
1 1 1   -9    6   43 o  182.794   5.4160  228.761   12.915  234.726   16.317  218.755   21.133  186.045   6.4720  179.542   8.6859 6.502823 10.83202 
1 1 1   -9    6   44 o  173.503   4.5794  204.153   10.764  204.542   15.398  203.782   15.054  173.663   6.5431  173.343   6.4086 0.3193817 9.158743 
1 1 1   -9    6   45 o  200.826   5.4657  264.673   14.217  245.141   17.409  303.776   24.632  190.104   6.7579  211.549   8.5924 -21.44522 10.93148 
1 1 1   -9    6   46 o  304.284   7.2886  628.813   29.980  624.861   40.920  633.393   44.048  303.281   9.9564  305.287   10.647 -2.006073 14.57716 
1 1 1   -9    6   47 o  181.873   4.6191  224.479   11.378  215.855   16.087  233.110   16.095  178.372   6.6554  185.374   6.4069 -7.001053 9.238148 
1 1 1   -9    6   48 o  309.695   5.0537  649.797   21.190  687.109   30.657  615.662   29.322  318.196   7.1096  301.194   7.1841 17.00220 10.10731 
1 1 1   -9    6   49 o  175.567   5.6522  213.591   12.678  195.981   21.449  223.047   15.718  169.824   9.3203  181.311   6.3972 -11.48735 11.30448 
1 1 1   -9    6   50 o  225.505   5.6876  348.462   16.434  335.706   28.020  355.151   20.290  222.242   9.3036  228.768   6.5451 -6.525894 11.37520 
1 1 1   -9    6   51 o  298.487   4.9902  604.751   20.184  613.788   28.733  595.949   28.358  300.689   7.0516  296.286   7.0628 4.402832 9.980422 
1 1 1   -9    6   52 o  442.637   6.0369  1330.96   36.204  1361.32   51.829  1302.03   50.592  447.563   8.5455  437.710   8.5293 9.853088 12.07374 
1 1 1   -9    6   53 o  218.997   6.6678  325.590   19.788  325.590   19.788   0.0000   0.0000  218.997   6.6678  ?   ?       ?      ? 
1 1 1   -9    6   54 o  173.188   4.6442  203.658   10.898  201.547   15.475  205.736   15.351  172.294   6.6278  174.082   6.5074 -1.787643 9.288420 
1 1 1   -9    6   55 o  314.847   5.1273  673.156   21.871  652.450   30.637  694.670   31.230  309.907   7.2952  319.786   7.2067 -9.879852 10.25460 
1 1 1   -9    6   56 o  422.355   7.2881  1233.45   39.593  1155.88   66.435  1276.18   49.305  411.513   11.913  433.196   8.3989 -21.68301 14.57627 
1 1 1   -9    6   57 o  277.626   4.9582  522.493   18.627  485.936   25.726  562.782   27.007  267.432   7.0985  287.821   6.9242 -20.38925 9.916302 
1 1 1   -9    6   58 o  336.651   7.4836  770.407   34.141  770.407   34.141   0.0000   0.0000  336.651   7.4836  ?   ?       ?      ? 
1 1 1   -9    6   59 o  387.036   8.0010  1018.95   41.964  1018.95   41.964   0.0000   0.0000  387.036   8.0010  ?   ?       ?      ? 
1 1 1   -9    6   60 o  434.324   6.0449  1282.14   35.550  1226.39   49.160  1343.25   51.471  424.444   8.5469  444.204   8.5506 -19.76007 12.08978 
1 1 1   -9    6   61 o  206.191   6.7669  288.956   18.908  288.956   18.908   0.0000   0.0000  206.191   6.7669  ?   ?       ?      ? 
1 1 1   -9    6   62 o   83.500   9.7077   51.859   8.9382   54.866   10.327   42.879   17.848   89.757   8.4900   77.243   17.461 12.51428 19.41544 
1 1 1   -9    6   63 o  229.267   4.8243  357.308   14.983  344.196   21.032  370.819   21.350  224.989   6.8983  233.546   6.7460 -8.557297 9.648588 
1 1 1   -9    6   64 o  280.139   7.1226  533.834   27.039  533.834   27.039   0.0000   0.0000  280.139   7.1226  ?   ?       ?      ? 
1 1 1   -9    6   65 o  238.265   4.9463  386.151   15.970  390.000   22.711  382.387   22.461  239.439   6.9995  237.092   6.9909 2.347275 9.892683 
1 1 1   -9    6   66 o  221.946   4.9197  334.660   14.784  354.208   21.332  316.591   20.509  228.182   6.8987  215.710   7.0160 12.47128 9.839499 
1 1 1   -9    6   67 o  240.715   6.0986  401.578   18.736  375.617   31.921  415.221   23.141  234.403   10.049  247.028   6.9128 -12.62523 12.19724 
1 1 1   -9    6   68 o  305.211   5.2213  634.326   21.590  615.610   30.363  653.468   30.707  300.643   7.4526  309.779   7.3147 -9.135773 10.44253 
1 1 1   -9    6   69 o  229.736   4.9326  358.830   15.344  378.694   22.150  340.501   21.276  235.847   6.9303  223.624   7.0209 12.22307 9.865225 
1 1 1   -9    6   70 o   99.253   6.0408   67.123   8.1140   70.073   11.857   64.525   11.127  101.291   8.6385   97.215   8.4464 4.075478 12.08162 
1 1 1   -9    6   71 o   81.083   8.0221   44.720   8.3735   46.794   14.417   43.665   10.286   82.307   12.926   79.858   9.5053 2.449020 16.04429 
1 1 1   -9    6   72 o  147.889   5.1213  149.100   10.253  158.654   14.681  140.001   14.326  152.531   7.1025  143.248   7.3802 9.283295 10.24268 
1 1 1   -9    6   73 o   88.502   6.2563   53.632   7.4987   56.344   10.722   51.035   10.491   90.705   8.7232   86.300   8.9706 4.404610 12.51267 
1 1 1   -9    6   74 o   90.037   6.1691   55.573   7.5257   57.091   10.710   54.092   10.577   91.259   8.6600   88.814   8.7884 2.444969 12.33826 
1 1 1   -9    6   75 o  198.184   6.2568  273.721   15.563  280.772   18.900  258.870   27.429  202.732   6.8794  193.635   10.453 9.097992 12.51361 
1 1 1   -9    6   76 o  115.443   7.0439   86.382   10.147   78.461   11.957  106.767   19.182  106.909   8.2531  123.977   11.417 -17.06816 14.08785 
1 1 1   -9    6   77 o  108.115   6.4847   78.539   9.1802   72.992   11.417   88.686   15.442  103.052   8.1753  113.178   10.068 -10.12559 12.96946 
1 1 1   -9    6   78 o   65.369   7.7403   30.243   6.5928   37.983   9.6001   23.336   9.0696   74.062   9.5653   56.677   12.172 17.38525 15.48070 
1 1 1   -9    6   79 o  125.307   5.2522  108.022   8.9004  116.814   12.669   99.453   12.507  130.407   7.1689  120.207   7.6778 10.20018 10.50436 
1 1 1   -9    6   80 o  120.407   5.3415   99.918   8.7149  101.129   12.304   98.699   12.345  121.155   7.4944  119.659   7.6132 1.496254 10.68300 
1 1 1   -9    6   81 o   54.438   8.7965   21.881   6.3869   26.390   9.1491   17.595   8.9203   60.154   11.644   48.722   13.188 11.43179 17.59303 
1 1 1   -9    6   82 o  121.859   6.9852  111.233   10.471   84.841   17.775  125.260   12.958  109.007   12.033  134.711   7.0984 -25.70406 13.97042 
1 1 1   -9    6   83 o   50.003   9.0033   20.309   7.4206   0.2253   12.717   30.678   9.1375   34.126   14.815   65.880   10.235 -31.75423 18.00652 
1 1 1   -9    6   84 o   90.654   7.4291   58.653   8.6379   57.902   14.714   59.049   10.670   89.483   12.134   91.825   8.5747 -2.341171 14.85827 
1 1 1   -9    6   85 o  104.183   6.9435   77.951   9.2458   74.353   15.709   79.858   11.436  101.469   11.425  106.896   7.8948 -5.427650 13.88704 
1 1 1   -9    6   86 o   96.966   7.5235   71.014   9.0851   57.527   15.329   78.316   11.279   88.220   12.822  105.713   7.8737 -17.49352 15.04695 
1 1 1   -9    6   87 o   40.572   10.140   11.774   6.7928   10.715   11.596   12.328   8.3814   40.469   15.353   40.676   13.250 -0.2067871 20.28031 
1 1 1   -9    6   88 o   52.011   11.730   22.014   9.2630   22.357   12.080   21.524   14.431   52.573   15.731   51.450   17.405 1.123531 23.46059 
1 1 1   -9    6   89 o   32.504   10.133  -0.0202   8.4712  -1.0485   10.783   1.6376   13.691   30.022   13.315   34.987   15.277 -4.965513 20.26560 
1 1 1   -9    6   90 o   83.149   12.454   52.100   14.033   52.100   14.033   0.0000   0.0000   83.149   12.454  ?   ?       ?      ? 
1 1 1   -9    6   91 o   49.496   15.972   20.260   12.195   20.260   12.195   0.0000   0.0000   49.496   15.972  ?   ?       ?      ? 
1 1 1   -9    6   92 o   35.685   14.517   6.7940   11.017   6.7940   11.017   0.0000   0.0000   35.685   14.517  ?   ?       ?      ? 
1 1 1   -9    6   93 f   49.495   16.130   20.829   12.420   20.829   12.420   0.0000   0.0000   49.495   16.130  ?   ?       ?      ? 
1 1 1   -9    7    1 o  651.362   7.7935  2874.51   68.751  2983.66   99.299  2774.02   95.282  663.222   11.048  639.501   10.995 23.72058 15.58695 
1 1 1   -9    7    2 o  401.430   5.4980  1090.88   29.887  1047.47   41.340  1138.42   43.258  393.075   7.7609  409.784   7.7899 -16.70901 10.99605 
1 1 1   -9    7    3 o  430.081   5.7315  1254.00   33.403  1248.37   47.018  1259.73   47.463  429.107   8.0857  431.055   8.1254 -1.948212 11.46298 
1 1 1   -9    7    4 f  365.003   5.2064  902.906   25.749  887.022   36.061  919.429   36.778  361.729   7.3565  368.277   7.3694 -6.548096 10.41274 
1 1 1   -9    7    5 o  387.358   5.3771  1017.14   28.225  1009.58   39.720  1024.86   40.114  385.904   7.5954  388.813   7.6134 -2.908600 10.75421 
1 1 1   -9    7    6 o  404.767   7.8194  1110.72   42.890  1110.72   42.890   0.0000   0.0000  404.767   7.8194  ?   ?       ?      ? 
1 1 1   -9    7    7 o  439.390   7.2546  1319.62   40.589  1339.91   49.747  1279.21   70.200  444.556   8.2576  434.224   11.930 10.33179 14.50911 
1 1 1   -9    7    8 o  636.582   10.901  2748.70   94.036  2748.70   94.036   0.0000   0.0000  636.582   10.901  ?   ?       ?      ? 
1 1 1   -9    7    9 o  372.462   6.5167  964.616   31.706  1047.30   40.879  839.781   50.231  393.046   7.6749  351.877   10.534 41.16937 13.03344 
1 1 1   -9    7   10 o  381.251   6.0691  982.308   27.512  978.859   31.959  992.182   54.069  380.022   6.2058  382.480   10.432 -2.457947 12.13813 
1 1 1   -9    7   11 o  507.557   7.4169  1779.47   45.046  1817.62   52.852  1678.15   86.122  517.806   7.5320  497.308   12.779 20.49783 14.83375 
1 1 1   -9    7   12 o  914.276   12.743  5480.32  145.290  5193.76  172.203  6188.22  270.660  874.711   14.528  953.841   20.939 -79.13031 25.48552 
1 1 1   -9    7   13 o  637.165   8.9373  2868.96   69.074  3029.78   82.515  2492.33  126.271  668.457   9.1091  605.874   15.379 62.58319 17.87465 
1 1 1   -9    7   14 o  493.186   7.1964  1634.40   41.877  1619.04   48.378  1680.31   83.634  488.712   7.3049  497.659   12.401 -8.946564 14.39280 
1 1 1   -9    7   15 o  654.621   8.9512  2819.98   67.746  2743.62   77.179  3076.31  141.412  636.118   8.9533  673.125   15.503 -37.00641 17.90240 
1 1 1   -9    7   17 o  245.808   4.4486  409.385   14.816  418.948   21.181  400.223   20.731  248.617   6.2869  242.998   6.2956 5.619614 8.897189 
1 1 1   -9    7   18 o  357.758   7.3423  867.615   35.596  867.615   35.596   0.0000   0.0000  357.758   7.3423  ?   ?       ?      ? 
1 1 1   -9    7   19 o  609.428   7.4146  2518.79   61.233  2509.34   86.451  2528.31   86.744  608.280   10.488  610.576   10.484 -2.295837 14.82912 
1 1 1   -9    7   20 o  367.125   7.4510  913.659   37.069   0.0000   0.0000  913.659   37.069  ?   ?   367.125   7.4510      ?      ? 
1 1 1   -9    7   21 o  247.527   6.3228  415.283   21.209   0.0000   0.0000  415.283   21.209  ?   ?   247.527   6.3228      ?      ? 
1 1 1   -9    7   22 o  576.159   8.6510  2250.03   63.772  2258.45  110.230  2245.80   78.186  576.847   14.101  575.470   10.026 1.376709 17.30208 
1 1 1   -9    7   24 o  356.853   7.5233  863.435   36.375  843.301   50.960  884.350   51.939  352.612   10.665  361.094   10.614 -8.481598 15.04660 
1 1 1   -9    7   25 o  353.718   6.4565  840.626   28.873  827.204   34.880  869.845   51.463  349.320   7.3683  358.116   10.604 -8.795959 12.91299 
1 1 1   -9    7   26 o  433.468   7.2254  1273.93   39.802  1273.12   48.491  1275.59   69.682  433.331   8.2577  433.605   11.859 -0.2738342 14.45070 
1 1 1   -9    7   27 f  194.380   5.6179  258.891   13.667  263.432   16.509  248.998   24.367  197.141   6.1795  191.618   9.3839 5.523453 11.23585 
1 1 1   -9    7   28 o  231.110   4.5016  362.043   14.098  357.390   19.891  366.740   19.983  229.617   6.3925  232.602   6.3398 -2.984879 9.003135 
1 1 1   -9    7   29 o  733.546   12.252  3651.72  121.787  3651.72  121.787   0.0000   0.0000  733.546   12.252  ?   ?       ?      ? 
1 1 1   -9    7   30 o  799.102   9.3200  4334.31  100.917  4393.15  143.862  4277.31  141.601  804.438   13.197  793.765   13.164 10.67328 18.64004 
1 1 1   -9    7   31 f  594.349   7.3196  2396.12   58.949  2365.79   82.730  2427.41   84.018  590.529   10.338  598.169   10.365 -7.640015 14.63923 
1 1 1   -9    7   32 f  384.936   7.7812  1004.74   40.590  1004.74   40.590   0.0000   0.0000  384.936   7.7812  ?   ?       ?      ? 
1 1 1   -9    7   33 o  744.750   12.405  3765.65  125.198  3765.65  125.198   0.0000   0.0000  744.750   12.405  ?   ?       ?      ? 
1 1 1   -9    7   34 f  993.140   15.995  6706.25  215.265  6706.25  215.265   0.0000   0.0000  993.140   15.995  ?   ?       ?      ? 
1 1 1   -9    7   35 o  368.694   5.3917  921.768   26.938  927.905   38.255  915.732   37.939  369.911   7.6315  367.478   7.6186 2.433838 10.78345 
1 1 1   -9    7   36 o  366.357   5.3844  909.832   26.726  931.899   38.234  888.747   37.373  370.699   7.6111  362.014   7.6182 8.684662 10.76874 
1 1 1   -9    7   37 o  363.738   7.6074  897.281   37.498  897.281   37.498   0.0000   0.0000  363.738   7.6074  ?   ?       ?      ? 
1 1 1   -9    7   38 o  358.846   6.5580  856.931   29.676  919.482   53.587  829.262   35.640  368.019   10.745  349.672   7.5214 18.34683 13.11590 
1 1 1   -9    7   39 o  519.785   6.6583  1831.99   46.879  1892.78   67.504  1775.35   65.153  528.106   9.4324  511.464   9.4001 16.64209 13.31664 
1 1 1   -9    7   40 o  290.225   5.8244  556.733   21.737  527.195   26.493  617.578   38.023  278.804   7.0121  301.647   9.3018 -22.84311 11.64875 
1 1 1   -9    7   41 o  374.016   7.6241  944.441   38.525  1035.70   57.139  868.378   52.164  390.481   10.798  357.552   10.766 32.92856 15.24813 
1 1 1   -9    7   42 o  534.531   13.568  1944.24   98.282  1944.24   98.282   0.0000   0.0000  534.531   13.568  ?   ?       ?      ? 
1 1 1   -9    7   43 f  396.283   5.6471  1065.10   30.316  1094.41   43.525  1037.49   42.251  401.573   7.9981  390.993   7.9741 10.57968 11.29411 
1 1 1   -9    7   44 o  205.809   5.8875  288.833   15.252  291.068   18.464  284.034   27.062  207.141   6.5778  204.478   9.7665 2.662903 11.77503 
1 1 1   -9    7   45 f  382.040   5.5696  987.152   28.782  918.142   39.402  1066.10   42.144  367.773   7.9060  396.306   7.8473 -28.53226 11.13929 
1 1 1   -9    7   46 o  275.033   4.8686  512.601   18.132  538.392   26.176  488.809   25.142  281.676   6.8576  268.389   6.9127 13.28699 9.737117 
1 1 1   -9    7   47 o  160.005   4.7248  174.005   10.227  164.040   14.564  183.700   14.366  155.470   6.9126  164.540   6.4429 -9.070511 9.449594 
1 1 1   -9    7   48 o  248.075   5.7981  419.861   18.432  412.238   31.577  423.800   22.701  246.259   9.4622  249.891   6.7037 -3.631531 11.59622 
1 1 1   -9    7   49 f  271.441   6.9817  500.174   25.681  500.174   25.681   0.0000   0.0000  271.441   6.9817  ?   ?       ?      ? 
1 1 1   -9    7   50 o  188.430   4.6552  241.155   11.877  229.681   16.807  252.601   16.785  183.942   6.7424  192.918   6.4206 -8.976318 9.310405 
1 1 1   -9    7   51 o  250.539   4.7958  425.527   16.250  389.288   22.548  464.695   23.441  239.443   6.9489  261.634   6.6115 -22.19109 9.591591 
1 1 1   -9    7   52 o  229.307   4.7220  356.945   14.672  361.275   20.940  352.770   20.563  230.671   6.6988  227.943   6.6569 2.728577 9.443974 
1 1 1   -9    7   53 o  203.350   4.6835  280.777   12.901  270.096   18.154  291.674   18.337  199.437   6.7172  207.263   6.5285 -7.826004 9.367088 
1 1 1   -9    7   54 o  355.961   6.6090  840.641   29.695  921.912   53.763  804.963   35.622  367.763   10.788  344.159   7.6380 23.60468 13.21795 
1 1 1   -9    7   55 o  361.438   6.7581  902.210   31.271  849.900   53.063  930.043   38.707  352.986   11.093  369.889   7.7221 -16.90283 13.51624 
1 1 1   -9    7   56 o  227.043   4.7963  350.197   14.752  338.724   20.777  361.862   20.950  223.285   6.8666  230.801   6.6984 -7.515289 9.592610 
1 1 1   -9    7   57 o  351.621   7.6630  840.698   36.514  840.698   36.514   0.0000   0.0000  351.621   7.6630  ?   ?       ?      ? 
1 1 1   -9    7   58 o  301.122   5.1003  616.372   20.811  607.171   29.317  625.717   29.546  298.853   7.2391  303.391   7.1865 -4.537354 10.20055 
1 1 1   -9    7   59 o   93.585   5.9598   59.622   7.5195   67.913   10.817   51.871   10.460   99.903   7.9903   87.268   8.8448 12.63468 11.91956 
1 1 1   -9    7   60 o  181.517   6.7625  223.959   16.634  223.959   16.634   0.0000   0.0000  181.517   6.7625  ?   ?       ?      ? 
1 1 1   -9    7   61 o  150.223   5.9509  160.088   11.514  179.983   14.787  129.443   18.352  162.715   6.7060  137.732   9.8326 24.98279 11.90172 
1 1 1   -9    7   62 o  260.819   4.9355  462.497   17.441  450.037   24.447  475.412   24.889  257.237   7.0130  264.399   6.9464 -7.161896 9.870910 
1 1 1   -9    7   63 o   86.890   6.4734   52.049   7.4795   40.368   10.526   63.960   10.630   76.875   10.104   96.905   8.0946 -20.03004 12.94684 
1 1 1   -9    7   64 o  141.180   5.2398  135.732   9.9872  120.790   13.959  151.403   14.295  133.188   7.7339  149.173   7.0717 -15.98558 10.47956 
1 1 1   -9    7   65 o  256.617   4.9826  447.269   17.299  412.847   23.949  484.821   25.014  246.293   7.1755  266.942   6.9150 -20.64919 9.965199 
1 1 1   -9    7   66 o  208.908   9.8136  298.297   27.782  298.297   27.782   0.0000   0.0000  208.908   9.8136  ?   ?       ?      ? 
1 1 1   -9    7   67 o  193.066   5.9409  250.846   14.590  264.211   25.792  244.557   17.692  196.583   9.6818  189.550   6.8877 7.033142 11.88181 
1 1 1   -9    7   68 o   86.308   6.4932   51.346   7.5279   45.337   10.914   56.800   10.397   81.390   9.8950   91.227   8.4104 -9.837303 12.98636 
1 1 1   -9    7   69 o  201.161   5.9433  272.335   15.252  288.160   26.833  264.782   18.538  205.166   9.6512  197.156   6.9386 8.010132 11.88651 
1 1 1   -9    7   70 o  222.326   4.9890  334.030   14.947  387.865   22.223  289.562   20.198  238.577   6.8738  206.076   7.2326 32.50116 9.977944 
1 1 1   -9    7   71 o   60.949   8.5531   26.384   6.9068   22.099   9.9085   30.434   9.6328   55.380   13.358   66.518   10.686 -11.13816 17.10628 
1 1 1   -9    7   72 o  100.795   5.8580   69.535   8.0010   68.875   11.340   70.189   11.291  100.312   8.3418  101.278   8.2267 -0.9662094 11.71600 
1 1 1   -9    7   73 o  136.850   5.2362  127.861   9.6996  136.700   13.968  119.631   13.479  141.430   7.2881  132.270   7.5201 9.160645 10.47232 
1 1 1   -9    7   74 o   94.811   8.2435   65.398   9.5068   70.033   11.450   55.111   17.057  101.031   8.3632   88.590   14.208 12.44139 16.48701 
1 1 1   -9    7   75 o   97.532   6.1162   65.496   8.0525   58.430   11.297   72.793   11.481   92.111   9.0508  102.954   8.2290 -10.84348 12.23242 
1 1 1   -9    7   76 o   66.119   8.9984   31.082   7.7070   30.596   9.8448   31.851   12.386   66.318   10.954   65.920   14.279 0.3976364 17.99683 
1 1 1   -9    7   77 o  101.540   6.8415   72.583   9.0428   75.868   11.471   67.191   14.696  104.974   8.0640   98.107   11.054 6.867172 13.68305 
1 1 1   -9    7   78 o  106.744   5.5968   78.502   8.0783   85.656   11.582   71.725   11.273  111.535   7.6627  101.953   8.1596 9.581146 11.19354 
1 1 1   -9    7   79 o   74.763   6.7011   38.911   6.7864   37.392   9.5248   40.478   9.6716   73.256   9.5946   76.271   9.3575 -3.014740 13.40223 
1 1 1   -9    7   80 o  160.590   7.0340  177.700   15.307  177.700   15.307   0.0000   0.0000  160.590   7.0340  ?   ?       ?      ? 
1 1 1   -9    7   81 o  110.437   5.7683   84.858   8.6153   82.125   12.452   87.367   11.933  108.626   8.4588  112.247   7.8448 -3.621567 11.53657 
1 1 1   -9    7   82 o  130.035   7.4298  117.234   13.093   0.0000   0.0000  117.234   13.093  ?   ?   130.035   7.4298      ?      ? 
1 1 1   -9    7   83 o  115.606   6.9304   98.162   10.031   84.082   17.146  105.488   12.368  108.001   11.716  123.211   7.4073 -15.20985 13.86088 
1 1 1   -9    7   84 o   44.541   10.360   12.275   7.0127   23.070   12.571   7.3981   8.4497   54.088   16.017   34.994   13.144 19.09388 20.71968 
1 1 1   -9    7   85 o   72.926   8.3584   36.773   7.8225   49.555   13.419   30.193   9.6275   82.243   12.041   63.609   11.596 18.63405 16.71671 
1 1 1   -9    7   86 o  103.867   8.6236   77.910   11.997   67.727   15.600   92.651   18.769   95.878   12.006  111.856   12.382 -15.97791 17.24721 
1 1 1   -9    7   87 o   49.144   11.743   19.306   9.2262   20.037   11.902   18.205   14.604   49.960   15.743   48.327   17.428 1.632305 23.48584 
1 1 1   -9    7   88 o   96.062   8.9819   68.115   11.549   61.056   14.972   78.488   18.148   90.393   12.223  101.731   13.164 -11.33869 17.96370 
1 1 1   -9    7   89 o   46.974   11.506   17.792   9.0455   20.491   11.775   13.907   14.128   50.028   15.642   43.920   16.878 6.107426 23.01216 
1 1 1   -9    7   90 o   34.073   14.123   5.0369   10.683   5.0369   10.683   0.0000   0.0000   34.073   14.123  ?   ?       ?      ? 
1 1 1   -9    7   91 o   36.905   14.805   8.0025   11.284   8.0025   11.284   0.0000   0.0000   36.905   14.805  ?   ?       ?      ? 
1 1 1   -9    7   92 o   23.434   11.176 -10.1585   9.8606 -10.1585   9.8606   0.0000   0.0000   23.434   11.176  ?   ?       ?      ? 
1 1 1   -9    7   93 o   35.628   14.735   6.7399   11.591   6.7399   11.591   0.0000   0.0000   35.628   14.735  ?   ?       ?      ? 
1 1 1   -9    8    1 o  463.540   7.3763  1470.90   44.030  1502.52   54.682  1412.60   74.249  470.760   8.5716  456.321   12.007 14.43857 14.75267 
1 1 1   -9    8    2 o  524.031   8.0676  1892.80   54.673  1970.15   68.608  1758.20   90.500  539.030   9.3925  509.032   13.120 29.99854 16.13511 
1 1 1   -9    8    3 o  810.239   13.254  4454.70  145.530  4454.70  145.530   0.0000   0.0000  810.239   13.254  ?   ?       ?      ? 
1 1 1   -9    8    4 o  1056.16   16.828  7576.02  240.852  7576.02  240.852   0.0000   0.0000  1056.16   16.828  ?   ?       ?      ? 
1 1 1   -9    8    5 o  1038.42   14.348  7322.79  190.313  7305.52  232.931  7357.45  330.069  1037.17   16.573  1039.66   23.428 -2.489136 28.69694 
1 1 1   -9    8    6 o  863.214   12.121  5078.87  134.199  5116.50  165.349  5006.23  229.717  868.263   14.053  858.165   19.753 10.09772 24.24210 
1 1 1   -9    8    7 o  502.379   7.7954  1728.19   50.492  1766.75   62.807  1657.74   84.896  510.459   9.0796  494.299   12.674 16.16043 15.59073 
1 1 1   -9    8    8 o  452.724   7.2242  1391.15   42.000  1393.69   51.738  1386.22   71.924  453.397   8.4207  452.052   11.741 1.344330 14.44847 
1 1 1   -9    8    9 f  190.150   5.0541  249.720   12.460  262.378   15.729  228.396   20.416  196.754   5.8993  183.546   8.2082 13.20778 10.10824 
1 1 1   -9    8   10 o  442.615   11.556  1328.90   69.311   0.0000   0.0000  1328.90   69.311  ?   ?   442.615   11.556      ?      ? 
1 1 1   -9    8   11 o  486.603   7.5974  1602.29   47.420  1594.72   58.248  1617.17   81.659  484.979   8.8628  488.228   12.342 -3.249359 15.19481 
1 1 1   -9    8   12 o  255.653   5.4009  443.764   17.896  445.474   22.290  440.662   30.022  256.365   6.4159  254.940   8.6899 1.425323 10.80174 
1 1 1   -9    8   13 o  356.719   6.2812  867.913   28.939  880.098   35.988  845.617   48.681  360.321   7.3703  353.118   10.173 7.202728 12.56238 
1 1 1   -9    8   14 o  573.421   13.977  2231.64  108.608   0.0000   0.0000  2231.64  108.608  ?   ?   573.421   13.977      ?      ? 
1 1 1   -9    8   15 o  518.524   8.1743  1875.58   55.563  2088.61   72.729  1576.94   86.113  554.981   9.6705  482.066   13.182 72.91455 16.34867 
1 1 1   -9    8   16 o  555.097   7.9000  2082.94   51.790  2075.57   59.946  2104.64  102.844  553.314   7.9947  556.881   13.628 -3.567200 15.79997 
1 1 1   -9    8   17 o  463.605   7.3683  1432.77   43.732  1384.45   53.254  1532.83   76.633  451.875   8.6967  475.335   11.897 -23.46057 14.73664 
1 1 1   -9    8   18 o  580.517   8.8320  2338.52   66.972  2511.45   86.008  2072.18  106.740  608.520   10.430  552.515   14.256 56.00531 17.66408 
1 1 1   -9    8   19 o  687.966   8.1753  3208.44   76.188  3119.01  106.016  3303.94  109.565  678.062   11.538  697.870   11.585 -19.80811 16.35056 
1 1 1   -9    8   20 o  368.667   5.3083  920.747   26.511  950.172   38.080  893.073   36.930  374.379   7.5060  362.955   7.5083 11.42310 10.61668 
1 1 1   -9    8   21 o  455.077   8.5132  1404.18   52.500  1404.18   52.500   0.0000   0.0000  455.077   8.5132  ?   ?       ?      ? 
1 1 1   -9    8   23 o  378.980   5.4050  973.278   27.752  998.438   39.752  949.356   38.762  383.756   7.6439  374.204   7.6438 9.551270 10.81005 
1 1 1   -9    8   24 o  454.022   7.4898  1411.53   43.470  1439.12   53.543  1358.18   74.452  460.684   8.5767  447.359   12.281 13.32425 14.97953 
1 1 1   -9    8   25 o  476.724   7.6780  1521.42   46.250  1486.64   55.758  1598.13   82.806  468.212   8.7878  485.236   12.593 -17.02325 15.35600 
1 1 1   -9    8   26 o  541.553   9.6531  1989.28   70.842  1989.28   70.842   0.0000   0.0000  541.553   9.6531  ?   ?       ?      ? 
1 1 1   -9    8   27 o  515.700   6.5892  1802.72   46.034  1752.88   64.187  1855.50   66.058  508.366   9.3172  523.035   9.3199 -14.66904 13.17843 
1 1 1   -9    8   28 o  446.869   8.5346  1354.27   51.683  1354.27   51.683   0.0000   0.0000  446.869   8.5346  ?   ?       ?      ? 
1 1 1   -9    8   29 o  378.792   7.8622  973.591   40.351  999.065   57.453  948.794   56.684  383.685   11.050  373.900   11.187 9.785095 15.72432 
1 1 1   -9    8   30 o  555.898   8.6151  2091.75   60.918  2079.89   74.193  2116.31  106.721  553.676   9.8883  558.120   14.110 -4.444275 17.23027 
1 1 1   -9    8   31 o  353.465   5.3056  847.035   25.410  828.833   35.679  865.768   36.197  349.611   7.5309  357.318   7.4754 -7.707031 10.61112 
1 1 1   -9    8   32 o  427.881   8.3285  1241.76   48.292  1241.76   48.292   0.0000   0.0000  427.881   8.3285  ?   ?       ?      ? 
1 1 1   -9    8   33 o  583.301   7.2353  2308.01   57.178  2254.06   79.858  2364.76   81.905  576.311   10.225  590.291   10.239 -13.98047 14.47052 
1 1 1   -9    8   34 o  532.828   6.7849  1925.87   48.981  1960.55   70.138  1892.85   68.432  537.507   9.6291  528.150   9.5613 9.356689 13.56977 
1 1 1   -9    8   35 o  612.033   10.645  2543.08   88.290  2543.08   88.290   0.0000   0.0000  612.033   10.645  ?   ?       ?      ? 
1 1 1   -9    8   36 o  635.395   10.992  2728.18   94.248  2962.98  141.494  2540.92  126.360  659.741   15.826  611.049   15.260 48.69202 21.98490 
1 1 1   -9    8   37 o  139.093   6.4042  131.537   12.009  128.901   17.820  133.729   16.253  137.802   9.5429  140.384   8.5434 -2.582565 12.80842 
1 1 1   -9    8   38 f  199.202   5.5517  275.862   14.459  299.123   18.658  240.891   22.878  210.013   6.5561  188.390   8.9613 21.62360 11.10350 
1 1 1   -9    8   39 o  331.796   7.3615  746.867   33.099  746.867   33.099   0.0000   0.0000  331.796   7.3615  ?   ?       ?      ? 
1 1 1   -9    8   40 o  270.102   4.8414  494.710   17.717  504.114   25.377  485.769   24.746  272.604   6.8696  267.600   6.8240 5.003998 9.682863 
1 1 1   -9    8   41 o  617.957   10.748  2595.49   90.008  2595.49   90.008   0.0000   0.0000  617.957   10.748  ?   ?       ?      ? 
1 1 1   -9    8   42 o  406.106   7.1282  1111.33   36.622  1094.85   44.283  1146.97   65.138  401.593   8.1371  410.620   11.706 -9.027374 14.25639 
1 1 1   -9    8   43 o  446.910   8.5964  1356.40   52.062  1356.40   52.062   0.0000   0.0000  446.910   8.5964  ?   ?       ?      ? 
1 1 1   -9    8   44 o  750.011   8.8888  3831.08   90.339  3791.69  127.072  3871.32  128.455  746.115   12.568  753.907   12.573 -7.792419 17.77755 
1 1 1   -9    8   45 o  424.706   5.9173  1224.19   34.038  1255.72   49.109  1195.04   47.222  429.957   8.4285  419.455   8.3076 10.50195 11.83455 
1 1 1   -9    8   46 o  186.827   5.5596  231.808   13.269  252.599   23.441  222.005   16.096  192.789   8.9726  180.864   6.5672 11.92473 11.11917 
1 1 1   -9    8   47 o  393.009   6.9001  1055.58   34.733  1034.86   59.532  1066.28   42.767  389.823   11.269  396.196   7.9656 -6.373047 13.80028 
1 1 1   -9    8   48 o  175.421   4.6663  208.424   11.080  220.204   16.119  197.869   15.257  180.110   6.6040  170.732   6.5943 9.377640 9.332658 
1 1 1   -9    8   49 o  147.576   4.7776  148.113   9.5371  142.395   13.734  153.438   13.254  144.810   6.9987  150.342   6.5055 -5.532303 9.555243 
1 1 1   -9    8   50 o  183.300   4.6815  227.736   11.619  238.753   16.846  217.739   16.046  187.521   6.6291  179.079   6.6123 8.441589 9.363070 
1 1 1   -9    8   51 o  255.962   4.8472  443.229   16.779  481.431   24.585  409.915   22.958  266.251   6.8138  245.674   6.8960 20.57713 9.694434 
1 1 1   -9    8   52 o  175.956   5.8675  212.487   12.959  205.293   23.000  215.833   15.686  173.632   9.7752  178.281   6.4928 -4.648773 11.73501 
1 1 1   -9    8   53 o  242.926   5.9476  402.859   18.301  397.291   32.108  405.539   22.273  241.508   9.8107  244.343   6.7267 -2.835342 11.89528 
1 1 1   -9    8   54 o  122.852   5.1234  102.655   8.5137  101.132   12.372  104.024   11.734  121.973   7.4851  123.730   6.9980 -1.757133 10.24684 
1 1 1   -9    8   55 o  164.054   4.8181  182.937   10.702  181.178   15.415  184.575   14.871  163.281   6.9664  164.826   6.6578 -1.544785 9.636267 
1 1 1   -9    8   56 o  289.497   5.0510  569.605   19.812  575.084   28.316  564.350   27.731  290.855   7.1840  288.139   7.1020 2.716492 10.10190 
1 1 1   -9    8   57 o  275.873   7.0754  517.391   26.451  517.391   26.451   0.0000   0.0000  275.873   7.0754  ?   ?       ?      ? 
1 1 1   -9    8   58 o  145.623   6.3793  134.701   11.479  122.244   13.420  168.666   22.159  134.064   7.3866  157.182   10.403 -23.11827 12.75859 
1 1 1   -9    8   59 o  133.993   6.4141  130.994   10.844  159.608   14.131   90.013   16.911  153.221   6.8058  114.765   10.874 38.45592 12.82816 
1 1 1   -9    8   60 f  166.476   4.8847  188.613   11.011  182.716   15.714  194.302   15.434  163.903   7.0749  169.049   6.7370 -5.146698 9.769449 
1 1 1   -9    8   61 o  160.744   4.9700  174.472   10.748  206.804   15.895  147.232   14.589  174.392   6.7257  147.097   7.3190 27.29457 9.939969 
1 1 1   -9    8   62 o  133.117   5.2680  120.237   9.4783  133.165   13.798  108.687   13.042  139.885   7.2790  126.350   7.6172 13.53522 10.53590 
1 1 1   -9    8   63 o  166.630   4.9386  189.040   11.144  182.950   15.857  194.986   15.666  163.961   7.1365  169.300   6.8285 -5.338852 9.877198 
1 1 1   -9    8   64 o  161.388   4.9863  177.066   10.899  184.175   15.726  170.495   15.119  164.501   7.0543  158.274   7.0491 6.226685 9.972622 
1 1 1   -9    8   65 o  166.273   6.1253  191.833   12.882  179.586   22.338  197.934   15.767  162.007   10.175  170.540   6.8226 -8.532623 12.25061 
1 1 1   -9    8   66 o   70.873   9.8922   41.368   8.4079   21.753   15.140   50.116   10.110   56.071   17.765   85.675   8.7083 -29.60364 19.78445 
1 1 1   -9    8   67 o  157.507   6.1617  160.361   12.335  195.864   22.474  145.053   14.757  169.139   9.8049  145.874   7.4652 23.26570 12.32340 
1 1 1   -9    8   68 o  219.738   6.0179  319.231   16.757  360.099   30.278  301.184   20.120  229.258   9.7457  210.218   7.0628 19.03947 12.03588 
1 1 1   -9    8   69 o  261.494   5.0603  466.449   17.928  456.821   25.408  475.995   25.300  258.785   7.2453  264.203   7.0663 -5.418243 10.12061 
1 1 1   -9    8   70 f  256.500   5.0465  448.817   17.528  425.170   24.534  473.469   25.051  249.572   7.2543  263.429   7.0174 -13.85687 10.09301 
1 1 1   -9    8   71 o  154.584   5.1040  163.339   10.682  155.699   15.128  170.936   15.087  150.946   7.3956  158.223   7.0363 -7.276886 10.20807 
1 1 1   -9    8   72 o  166.365   6.4803  191.389   13.486  193.288   16.264  187.211   24.127  168.161   7.1369  164.568   10.819 3.592636 12.96060 
1 1 1   -9    8   73 o  151.612   6.5843  158.279   12.499  158.205   15.046  158.443   22.452  152.031   7.3031  151.193   10.958 0.8374023 13.16864 
1 1 1   -9    8   74 o  154.927   5.1678  164.589   10.798  144.421   15.081  185.809   15.468  145.093   7.6699  164.762   6.9279 -19.66937 10.33551 
1 1 1   -9    8   75 o  136.596   5.2783  128.070   9.7638  121.872   13.712  134.445   13.906  133.212   7.5958  139.980   7.3311 -6.767212 10.55653 
1 1 1   -9    8   76 f  161.943   5.8751  179.456   12.460  175.363   15.643  186.559   20.607  159.788   7.2243  164.098   9.2669 -4.309692 11.75015 
1 1 1   -9    8   77 o   81.454   6.5307   45.988   7.1996   49.320   10.408   42.931   9.9692   84.304   9.1108   78.603   9.3592 5.700462 13.06143 
1 1 1   -9    8   78 o  162.282   7.0551  181.315   15.515  181.315   15.515   0.0000   0.0000  162.282   7.0551  ?   ?       ?      ? 
1 1 1   -9    8   79 o  100.787   5.8077   70.545   7.9222   66.553   11.201   74.542   11.206   97.863   8.4462  103.711   7.9736 -5.848114 11.61541 
1 1 1   -9    8   80 o   69.911   9.2166   35.509   7.9774   37.022   14.118   34.800   9.6688   69.580   15.382   70.241   10.158 -0.6608429 18.43329 
1 1 1   -9    8   81 o   66.569   10.422   31.457   9.4020   0.0000   0.0000   31.457   9.4020  ?   ?    66.569   10.422      ?      ? 
1 1 1   -9    8   82 o  107.708   11.591   83.713   16.918   83.713   16.918   0.0000   0.0000  107.708   11.591  ?   ?       ?      ? 
1 1 1   -9    8   83 o   67.435   9.2469   33.863   7.8238   34.893   13.539   33.346   9.5864   66.638   15.314   68.233   10.368 -1.594643 18.49378 
1 1 1   -9    8   84 o   59.069   9.8774   27.544   7.5593   25.396   12.750   28.708   9.3871   56.217   15.981   61.921   11.614 -5.703606 19.75484 
1 1 1   -9    8   85 o  162.323   7.5168  188.936   16.437  171.180   21.856  212.056   24.940  153.783   10.488  170.863   10.771 -17.08002 15.03352 
1 1 1   -9    8   86 o   48.848   10.996   13.688   9.4139  -0.5302   12.052   35.939   15.077   31.968   14.133   65.728   16.849 -33.75987 21.99104 
1 1 1   -9    8   87 o   34.842   10.356   0.5457   8.5184  -7.2891   10.875   12.985   13.703   26.564   12.376   43.120   16.609 -16.55655 20.71277 
1 1 1   -9    8   88 o   74.542   10.742   43.925   10.312   39.126   13.217   51.391   16.486   69.930   14.426   79.154   15.921 -9.223114 21.48493 
1 1 1   -9    8   89 o   58.059   15.272   27.920   12.177   27.920   12.177   0.0000   0.0000   58.059   15.272  ?   ?       ?      ? 
1 1 1   -9    8   90 o   96.357   11.853   70.171   15.478   70.171   15.478   0.0000   0.0000   96.357   11.853  ?   ?       ?      ? 
1 1 1   -9    8   91 o   27.518   12.664  -4.6767   10.878  -4.6767   10.878   0.0000   0.0000   27.518   12.664  ?   ?       ?      ? 
1 1 1   -9    8   92 o   63.235   15.673   34.394   13.363   34.394   13.363   0.0000   0.0000   63.235   15.673  ?   ?       ?      ? 
1 1 1   -9    8   93 o   43.136   15.903   15.510   12.257   15.510   12.257   0.0000   0.0000   43.136   15.903  ?   ?       ?      ? 
1 1 1   -9    9    1 o  479.895   6.2307  1561.63   40.518  1574.05   57.236  1549.15   57.367  481.810   8.7662  477.979   8.8566 3.830963 12.46142 
1 1 1   -9    9    2 o  411.175   5.6454  1146.17   31.452  1169.67   44.637  1123.00   44.325  415.361   7.9302  406.988   8.0369 8.373108 11.29072 
1 1 1   -9    9    3 o  477.285   6.2070  1544.66   40.145  1555.08   56.727  1534.19   56.821  478.900   8.7410  475.670   8.8150 3.230652 12.41405 
1 1 1   -9    9    4 o  695.022   8.2749  3274.75   77.904  3191.76  108.278  3363.82  112.173  685.904   11.649  704.141   11.756 -18.23694 16.54980 
1 1 1   -9    9    5 o  759.291   8.9117  3910.42   91.676  3998.79  131.333  3826.43  128.029  767.652   12.625  750.930   12.581 16.72235 17.82346 
1 1 1   -9    9    6 o  465.067   6.1071  1466.37   38.485  1492.48   54.705  1440.77   54.152  469.168   8.6043  460.966   8.6689 8.202057 12.21412 
1 1 1   -9    9    7 o  413.846   5.6801  1160.10   31.839  1127.23   44.185  1195.60   45.919  407.755   7.9963  419.936   8.0692 -12.18069 11.36010 
1 1 1   -9    9    9 o  359.281   5.2487  875.121   25.553  883.004   36.095  867.200   36.182  360.905   7.3802  357.658   7.4651 3.246582 10.49737 
1 1 1   -9    9   10 o  701.448   10.249  3406.44   93.628  3605.07  119.163  3085.97  151.359  728.916   12.064  673.981   16.572 54.93469 20.49802 
1 1 1   -9    9   11 o  844.490   11.198  4681.77  108.529  4546.37  123.188  5151.26  229.393  818.647   11.104  870.333   19.450 -51.68585 22.39632 
1 1 1   -9    9   12 o  558.529   7.9902  2141.86   53.130  2170.57   62.028  2062.79  102.949  565.810   8.0898  551.247   13.781 14.56366 15.98031 
1 1 1   -9    9   13 o  380.720   6.1870  992.318   28.161  1003.18   32.933  962.754   54.320  384.705   6.3171  376.735   10.640 7.969543 12.37401 
1 1 1   -9    9   14 o  211.581   8.3220  303.536   23.861   0.0000   0.0000  303.536   23.861  ?   ?   211.581   8.3220      ?      ? 
1 1 1   -9    9   15 o  422.265   11.281  1209.74   64.555   0.0000   0.0000  1209.74   64.555  ?   ?   422.265   11.281      ?      ? 
1 1 1   -9    9   16 o  461.825   6.9605  1445.36   38.161  1444.01   44.320  1449.21   75.039  461.524   7.0863  462.126   11.982 -0.6020813 13.92095 
1 1 1   -9    9   17 o  387.971   6.2176  1006.45   28.607  991.622   33.094  1050.28   56.897  382.473   6.3851  393.468   10.671 -10.99466 12.43525 
1 1 1   -9    9   18 o  298.296   5.3994  578.761   19.172  553.882   22.085  654.830   38.618  285.861   5.7013  310.732   9.1711 -24.87173 10.79876 
1 1 1   -9    9   19 o  545.109   7.8170  1992.96   50.109  1969.97   57.762  2062.87  100.738  539.013   7.9079  551.204   13.487 -12.19031 15.63398 
1 1 1   -9    9   20 o  462.937   6.9808  1448.52   38.371  1442.93   44.535  1464.62   75.588  461.337   7.1236  464.537   12.007 -3.200623 13.96158 
1 1 1   -9    9   21 f  850.682   11.369  4910.91  131.059  4910.91  131.059   0.0000   0.0000  850.682   11.369  ?   ?       ?      ? 
1 1 1   -9    9   22 o  709.618   16.964  3424.15  163.131   0.0000   0.0000  3424.15  163.131  ?   ?   709.618   16.964      ?      ? 
1 1 1   -9    9   24 o  420.365   5.7737  1197.98   32.884  1222.31   47.017  1174.68   46.010  424.542   8.1724  416.189   8.1579 8.353607 11.54730 
1 1 1   -9    9   25 o  352.697   5.2511  843.116   25.091  817.569   35.093  869.834   35.889  347.233   7.4579  358.162   7.3944 -10.92920 10.50226 
1 1 1   -9    9   27 o  142.180   6.6174  137.059   12.750  137.059   12.750   0.0000   0.0000  142.180   6.6174  ?   ?       ?      ? 
1 1 1   -9    9   28 o  151.080   4.6006  154.480   9.4106  162.487   13.643  147.211   12.998  154.808   6.5033  147.352   6.5093 7.456497 9.201247 
1 1 1   -9    9   29 o  324.568   5.0905  714.067   22.382  688.021   31.331  741.211   31.985  318.524   7.2586  330.612   7.1391 -12.08755 10.18108 
1 1 1   -9    9   30 o  400.428   5.6428  1087.43   30.617  1099.96   43.645  1075.29   42.962  402.697   7.9978  398.158   7.9623 4.539063 11.28555 
1 1 1   -9    9   31 f  192.747   5.3301  247.938   13.500  236.321   16.942  268.147   22.345  186.682   6.6969  198.813   8.2939 -12.13097 10.66010 
1 1 1   -9    9   32 o  430.641   11.687  1259.81   68.204  1259.81   68.204   0.0000   0.0000  430.641   11.687  ?   ?       ?      ? 
1 1 1   -9    9   33 o  338.368   7.3549  774.235   33.611  815.112   50.063  740.690   45.352  346.447   10.663  330.289   10.133 16.15768 14.70982 
1 1 1   -9    9   34 o  313.610   7.2130  659.729   30.462  748.130   46.287  592.193   40.458  331.909   10.291  295.311   10.110 36.59808 14.42608 
1 1 1   -9    9   35 o  400.500   11.573  1090.16   62.812  1090.16   62.812   0.0000   0.0000  400.500   11.573  ?   ?       ?      ? 
1 1 1   -9    9   36 o  111.792   5.3282   84.835   8.0648   83.785   11.612   85.813   11.210  111.120   7.7112  112.464   7.3551 -1.344368 10.65648 
1 1 1   -9    9   37 o  159.428   4.6658  172.354   10.074  174.066   14.542  170.775   13.969  160.187   6.6989  158.670   6.4965 1.516312 9.331648 
1 1 1   -9    9   38 o  166.933   4.6418  189.007   10.489  189.786   15.200  188.299   14.494  167.257   6.7061  166.609   6.4197 0.6477966 9.283514 
1 1 1   -9    9   39 o  258.851   6.0285  456.675   19.809  459.880   24.157  450.096   34.611  260.341   6.8473  257.360   9.9240 2.981537 12.05701 
1 1 1   -9    9   40 o  469.253   7.7597  1508.04   46.571  1529.71   57.324  1465.96   79.873  474.549   8.9139  463.957   12.704 10.59274 15.51931 
1 1 1   -9    9   41 o  447.858   6.0781  1361.22   36.871  1403.30   53.143  1322.16   51.198  454.522   8.6279  441.194   8.5633 13.32825 12.15615 
1 1 1   -9    9   42 o  339.626   5.2760  783.122   24.280  781.230   34.519  784.976   34.159  339.216   7.5093  340.037   7.4131 -0.8208618 10.55197 
1 1 1   -9    9   43 o  319.324   6.2467  693.997   25.470  689.771   44.086  696.114   31.204  318.435   10.216  320.214   7.1909 -1.778473 12.49345 
1 1 1   -9    9   44 o  142.690   9.5799  138.461   18.524  138.461   18.524   0.0000   0.0000  142.690   9.5799  ?   ?       ?      ? 
1 1 1   -9    9   45 o  189.593   4.6776  244.561   11.981  223.005   16.978  265.941   16.909  181.236   6.9128  197.949   6.3035 -16.71317 9.355267 
1 1 1   -9    9   46 o  222.280   4.6924  334.669   14.118  352.548   20.565  318.731   19.416  227.881   6.6595  216.679   6.6124 11.20192 9.384767 
1 1 1   -9    9   47 f  210.893   4.6847  302.109   13.381  296.940   19.151  307.040   18.703  209.121   6.7579  212.665   6.4898 -3.544510 9.369425 
1 1 1   -9    9   48 o  302.270   5.0596  620.246   20.718  635.286   29.778  606.135   28.843  305.816   7.1853  298.724   7.1251 7.092590 10.11911 
1 1 1   -9    9   49 f  217.934   4.7152  322.888   13.905  303.384   19.689  342.295   19.641  211.345   6.8748  224.522   6.4553 -13.17688 9.430438 
1 1 1   -9    9   50 o  243.965   9.8560  405.397   32.585  405.397   32.585   0.0000   0.0000  243.965   9.8560  ?   ?       ?      ? 
1 1 1   -9    9   51 o  203.085   5.8229  275.944   14.844  292.654   26.956  268.671   17.783  207.287   9.5962  198.884   6.5982 8.402908 11.64574 
1 1 1   -9    9   52 o  129.579   5.0183  113.524   8.7864  126.056   12.925  102.756   11.980  136.199   7.0028  122.960   7.1899 13.23975 10.03665 
1 1 1   -9    9   53 o  165.547   4.8121  185.889   10.784  193.506   15.702  179.089   14.836  168.747   6.8666  162.347   6.7434 6.399628 9.624102 
1 1 1   -9    9   54 o  240.450   6.9067  392.957   22.505  392.957   22.505   0.0000   0.0000  240.450   6.9067  ?   ?       ?      ? 
1 1 1   -9    9   55 o  256.423   4.9234  446.818   17.103  453.268   24.563  440.749   23.828  258.212   7.0197  254.635   6.9052 3.576859 9.846791 
1 1 1   -9    9   56 o  307.786   6.4529  646.053   25.240  646.798   30.771  644.521   44.123  308.372   7.3635  307.200   10.599 1.172363 12.90580 
1 1 1   -9    9   57 o  212.486   5.8062  314.844   16.061  338.114   20.536  278.194   25.772  223.006   6.7955  201.967   9.4166 21.03873 11.61249 
1 1 1   -9    9   58 o  231.421   5.7828  365.865   17.449  368.931   21.927  360.572   28.811  232.912   6.9472  229.931   9.2467 2.981445 11.56567 
1 1 1   -9    9   59 o  246.099   7.0924  412.019   23.653  412.019   23.653   0.0000   0.0000  246.099   7.0924  ?   ?       ?      ? 
1 1 1   -9    9   60 o   71.128   8.2295   37.687   7.2651   22.193   10.675   51.056   9.9158   55.708   14.122   86.549   8.4545 -30.84055 16.45895 
1 1 1   -9    9   61 o  210.061   4.8758  299.339   13.859  318.108   20.261  282.834   18.999  216.230   6.9145  203.893   6.8761 12.33618 9.751503 
1 1 1   -9    9   62 o  193.070   4.9005  254.150   12.786  232.781   18.098  275.447   18.067  184.916   7.2222  201.225   6.6257 -16.30867 9.801027 
1 1 1   -9    9   63 o  110.632   5.6757   83.518   8.4834   82.369   12.443   84.517   11.596  109.891   8.3557  111.372   7.6835 -1.480370 11.35140 
1 1 1   -9    9   64 o  143.228   6.2921  136.579   11.304  149.450   20.690  131.101   13.496  147.717   10.336  138.738   7.1786 8.979324 12.58415 
1 1 1   -9    9   65 o   59.774   10.321   22.816   7.5925   33.595   14.762   18.939   8.8532   68.129   16.223   51.419   12.765 16.70938 20.64252 
1 1 1   -9    9   66 o  168.220   10.128  194.044   23.088  194.044   23.088   0.0000   0.0000  168.220   10.128  ?   ?       ?      ? 
1 1 1   -9    9   67 f   98.059   6.1300   66.388   8.0682   58.932   11.776   72.986   11.077   92.743   9.3696  103.375   7.9070 -10.63226 12.26009 
1 1 1   -9    9   68 o  140.721   5.1793  135.192   9.8702  134.926   14.211  135.439   13.719  140.567   7.4605  140.874   7.1863 -0.3066559 10.35869 
1 1 1   -9    9   69 o   77.806   6.9353   41.575   7.3077   43.168   10.569   40.115   10.115   79.229   9.8438   76.384   9.7722 2.844948 13.87069 
1 1 1   -9    9   70 o  124.108   5.6509  105.123   9.3128   78.897   12.675  135.890   13.729  107.216   8.7238  141.000   7.1850 -33.78356 11.30172 
1 1 1   -9    9   71 o  200.133   6.2521  272.550   15.777  267.750   19.022  283.130   28.243  197.854   7.0945  202.411   10.297 -4.557144 12.50421 
1 1 1   -9    9   72 o   63.686   8.4205   28.803   6.9909   43.472   10.389   16.664   9.4508   79.333   9.6633   48.038   13.793 31.29497 16.84105 
1 1 1   -9    9   73 o   86.907   6.3686   52.377   7.4618   47.454   10.714   57.014   10.398   82.824   9.5457   90.989   8.4332 -8.165329 12.73728 
1 1 1   -9    9   74 o   94.496   6.0665   61.594   7.7579   66.128   11.125   57.304   10.823   97.917   8.3845   91.075   8.7697 6.842209 12.13292 
1 1 1   -9    9   75 o   69.944   8.3994   34.211   7.7255   30.410   10.042   39.721   12.092   64.807   11.872   75.081   11.885 -10.27390 16.79880 
1 1 1   -9    9   76 o   65.278   7.7377   30.942   6.5488   24.784   9.4932   36.534   9.0459   58.085   12.436   72.471   9.2109 -14.38644 15.47545 
1 1 1   -9    9   77 o  138.094   7.2684  131.581   13.602   0.0000   0.0000  131.581   13.602  ?   ?   138.094   7.2684      ?      ? 
1 1 1   -9    9   78 o  146.717   6.5324  157.974   12.003  128.638   20.205  173.973   14.921  134.655   11.073  158.779   6.9347 -24.12364 13.06487 
1 1 1   -9    9   79 f   75.284   8.7097   41.717   8.0253   40.428   14.062   42.339   9.7733   72.924   14.736   77.644   9.2887 -4.719948 17.41947 
1 1 1   -9    9   80 o   78.703   9.5155   43.740   10.149   0.0000   0.0000   43.740   10.149  ?   ?    78.703   9.5155      ?      ? 
1 1 1   -9    9   81 o   90.233   7.8280   58.816   8.8454   58.008   15.725   59.190   10.698   88.724   13.079   91.742   8.6053 -3.018173 15.65606 
1 1 1   -9    9   82 o   42.512   10.413   12.974   7.0460   13.345   12.241   12.790   8.6165   43.545   15.917   41.479   13.430 2.065514 20.82571 
1 1 1   -9    9   83 o  167.885   7.5812  203.860   17.214  199.184   23.522  209.252   25.260  166.085   10.451  169.684   10.985 -3.598419 15.16249 
1 1 1   -9    9   84 o  106.311   9.0119   85.568   12.767   93.954   17.265   75.449   18.964  113.240   11.251   99.382   14.081 13.85800 18.02380 
1 1 1   -9    9   85 o   89.192   9.9841   61.910   11.595   63.368   15.324   59.957   17.735   92.089   12.280   86.295   15.746 5.794403 19.96812 
1 1 1   -9    9   86 o   76.343   10.740   45.788   10.572   39.894   13.613   54.744   16.781   70.529   14.719   82.157   15.644 -11.62740 21.47981 
1 1 1   -9    9   87 o   46.220   11.488   14.591   9.0950   6.9932   11.532   27.093   14.793   36.458   14.844   55.982   17.537 -19.52453 22.97613 
1 1 1   -9    9   88 f   80.372   10.409   51.577   10.830   50.791   13.941   52.773   17.200   81.567   12.612   79.177   16.562 2.389702 20.81779 
1 1 1   -9    9   89 o   23.913   11.435 -11.1973   10.469 -11.1973   10.469   0.0000   0.0000   23.913   11.435  ?   ?       ?      ? 
1 1 1   -9    9   90 o   45.402   15.787   17.149   11.894   17.149   11.894   0.0000   0.0000   45.402   15.787  ?   ?       ?      ? 
1 1 1   -9    9   91 o   33.237   14.090   4.5004   11.003   4.5004   11.003   0.0000   0.0000   33.237   14.090  ?   ?       ?      ? 
1 1 1   -9    9   92 o   39.769   15.324   12.232   11.668   12.232   11.668   0.0000   0.0000   39.769   15.324  ?   ?       ?      ? 
1 1 1   -9   10    1 o  433.324   5.8736  1272.08   34.471  1330.89   49.583  1217.05   47.957  443.011   8.2591  423.637   8.3536 19.37445 11.74713 
1 1 1   -9   10    2 o  440.133   5.9288  1313.13   35.352  1355.64   50.535  1272.39   49.473  447.108   8.3407  433.158   8.4283 13.95023 11.85764 
1 1 1   -9   10    3 o  380.239   5.4510  979.761   28.078  958.554   39.084  1002.38   40.363  375.991   7.6708  384.487   7.7468 -8.496185 10.90200 
1 1 1   -9   10    4 o  797.076   9.2881  4313.76  100.324  4326.27  141.908  4301.27  141.852  798.233   13.119  795.919   13.152 2.314270 18.57613 
1 1 1   -9   10    5 o  785.436   9.1703  4187.92   97.600  4243.80  138.951  4133.50  137.120  790.607   12.969  780.265   12.968 10.34235 18.34056 
1 1 1   -9   10    6 o  352.701   5.2451  842.522   25.055  815.716   34.726  871.630   36.185  346.856   7.3878  358.545   7.4474 -11.68884 10.49020 
1 1 1   -9   10    7 o  433.283   5.8755  1273.04   34.496  1268.30   48.471  1277.90   49.104  432.468   8.2708  434.099   8.3473 -1.631195 11.75091 
1 1 1   -9   10    8 o  398.402   5.6136  1075.69   30.298  1052.20   42.209  1100.66   43.515  393.918   7.9070  402.886   7.9704 -8.967773 11.22712 
1 1 1   -9   10    9 f  595.317   7.3496  2403.78   59.283  2456.64   84.667  2352.93   83.035  601.737   10.383  588.896   10.405 12.84094 14.69927 
1 1 1   -9   10   10 o  663.449   11.292  2991.99  101.515  2982.54  144.492  3001.20  142.653  662.398   16.097  664.500   15.842 -2.102722 22.58471 
1 1 1   -9   10   11 o  595.771   8.9481  2397.22   68.348  2371.35   83.795  2448.62  118.141  591.185   10.460  600.357   14.521 -9.172363 17.89616 
1 1 1   -9   10   12 o  544.201   7.8461  1997.71   50.326  1985.42   58.154  2034.34  100.426  541.098   7.9309  547.304   13.541 -6.205750 15.69221 
1 1 1   -9   10   13 o  372.744   6.6836  965.369   32.554  1043.94   41.934  846.187   51.646  392.362   7.8868  353.125   10.793 39.23630 13.36717 
1 1 1   -9   10   14 o  467.397   7.0264  1467.27   38.749  1452.19   44.756  1512.42   77.432  462.796   7.1365  471.997   12.106 -9.201569 14.05279 
1 1 1   -9   10   15 o  474.845   7.5567  1493.65   45.730  1427.59   55.319  1636.23   81.272  458.770   8.8980  490.921   12.217 -32.15033 15.11350 
1 1 1   -9   10   16 o  241.374   5.1685  398.032   15.087  401.732   17.755  388.418   28.620  243.448   5.3819  239.300   8.8255 4.147583 10.33699 
1 1 1   -9   10   17 o  215.279   5.0286  314.900   13.141  315.733   15.473  312.746   24.889  215.824   5.2905  214.734   8.5533 1.090057 10.05723 
1 1 1   -9   10   18 o  284.964   5.6326  550.459   21.751  550.459   21.751   0.0000   0.0000  284.964   5.6326  ?   ?       ?      ? 
1 1 1   -9   10   19 o  473.877   8.9532  1523.28   57.494  1523.28   57.494   0.0000   0.0000  473.877   8.9532  ?   ?       ?      ? 
1 1 1   -9   10   20 o  429.701   6.6729  1244.09   33.965  1235.08   39.340  1270.48   67.314  426.800   6.8018  432.602   11.482 -5.801819 13.34583 
1 1 1   -9   10   21 o  499.500   7.4123  1697.39   43.954  1701.76   51.096  1684.93   86.200  500.942   7.5269  498.057   12.772 2.884094 14.82464 
1 1 1   -9   10   22 o  561.535   8.5508  2057.43   60.399  1928.13   71.948  2366.05  111.154  533.033   9.9605  590.036   13.901 -57.00281 17.10157 
1 1 1   -9   10   23 o  642.895   8.9411  2765.66   67.276  2725.28   77.316  2891.57  136.518  633.787   9.0020  652.003   15.451 -18.21588 17.88210 
1 1 1   -9   10   24 o  382.527   6.2501  984.515   28.487  975.579   33.085  1010.13   56.014  379.317   6.4364  385.736   10.716 -6.418976 12.50020 
1 1 1   -9   10   26 o  363.661   6.4485  890.557   30.147  876.048   37.016  919.137   51.951  359.381   7.6007  367.940   10.419 -8.559387 12.89699 
1 1 1   -9   10   27 o  221.494   6.2284  332.850   18.643  300.370   26.017  367.127   26.727  210.378   9.1258  232.610   8.4790 -22.23187 12.45689 
1 1 1   -9   10   28 o  237.403   5.5611  384.999   17.293  393.004   21.939  371.865   28.100  240.725   6.7253  234.082   8.8585 6.643051 11.12220 
1 1 1   -9   10   29 o  162.798   5.3700  179.768   11.538  179.657   14.729  179.946   18.562  162.756   6.6779  162.841   8.4115 -0.8473206E-01 10.73999 
1 1 1   -9   10   30 o  342.861   7.4228  799.716   34.434  768.034   49.436  829.572   47.990  336.226   10.850  349.496   10.133 -13.27017 14.84562 
1 1 1   -9   10   31 o  426.032   7.2525  1222.70   39.057  1261.22   69.570  1204.98   47.197  430.702   11.920  421.362   8.2657 9.339996 14.50504 
1 1 1   -9   10   32 o  301.684   5.0080  617.166   20.460  585.930   28.619  649.821   29.262  293.874   7.1863  309.493   6.9770 -15.61960 10.01606 
1 1 1   -9   10   33 o  347.198   5.2947  817.422   24.901  839.634   35.839  796.690   34.624  351.753   7.5186  342.643   7.4568 9.109039 10.58934 
1 1 1   -9   10   34 o  250.130   4.7649  424.471   16.144  424.457   23.173  424.484   22.504  250.121   6.8367  250.139   6.6390 -0.1756287E-01 9.529786 
1 1 1   -9   10   35 o  138.007   4.7880  128.671   8.9324  137.272   13.211  121.428   12.124  142.235   6.8539  133.779   6.6875 8.455643 9.575925 
1 1 1   -9   10   36 o  288.164   4.9399  563.385   19.286  569.206   27.637  557.861   26.925  289.611   7.0421  286.717   6.9297 2.893555 9.879833 
1 1 1   -9   10   37 o  329.785   6.4212  728.856   26.857  711.000   32.478  767.476   47.764  323.637   7.4054  335.933   10.492 -12.29636 12.84240 
1 1 1   -9   10   38 o  265.259   5.9859  464.753   20.122  442.378   24.194  514.955   36.240  255.296   6.9934  275.221   9.7168 -19.92545 11.97180 
1 1 1   -9   10   39 o  122.478   6.7783  101.816   11.250   0.0000   0.0000  101.816   11.250  ?   ?   122.478   6.7783      ?      ? 
1 1 1   -9   10   40 o  116.400   10.748   92.219   16.953   0.0000   0.0000   92.219   16.953  ?   ?   116.400   10.748      ?      ? 
1 1 1   -9   10   41 o   56.841   10.868   21.624   9.2537   9.4099   12.710   35.400   13.498   42.983   16.126   70.699   14.574 -27.71605 21.73550 
1 1 1   -9   10   42 o  155.554   4.7898  164.344   10.081  163.001   14.635  165.556   13.907  154.940   6.9702  156.168   6.5714 -1.228058 9.579543 
1 1 1   -9   10   43 o  161.702   4.7427  177.796   10.371  172.525   15.019  182.601   14.340  159.395   6.9530  164.009   6.4519 -4.613434 9.485309 
1 1 1   -9   10   44 o  155.788   4.7999  165.510   10.090  152.243   14.531  177.860   14.020  149.715   7.1624  161.861   6.3917 -12.14644 9.599702 
1 1 1   -9   10   45 o  301.749   5.0817  618.165   20.771  630.220   29.909  606.936   28.867  304.582   7.2463  298.916   7.1263 5.666779 10.16335 
1 1 1   -9   10   46 o  333.264   5.2605  754.725   23.752  753.506   33.915  755.899   33.276  332.990   7.5159  333.538   7.3621 -0.5482788 10.52091 
1 1 1   -9   10   47 o  220.152   6.8470  329.231   20.427  329.231   20.427   0.0000   0.0000  220.152   6.8470  ?   ?       ?      ? 
1 1 1   -9   10   48 o  202.359   5.7569  264.225   14.532  315.104   27.344  244.198   17.155  215.114   9.3802  189.603   6.6767 25.51030 11.51377 
1 1 1   -9   10   49 o  189.054   4.7591  242.798   12.171  243.230   17.749  242.415   16.723  189.197   6.9226  188.910   6.5324 0.2877502 9.518126 
1 1 1   -9   10   50 o  240.421   4.8212  393.023   15.690  370.514   22.150  415.689   22.227  233.490   7.0003  247.353   6.6312 -13.86331 9.642459 
1 1 1   -9   10   51 o  193.759   4.7506  253.990   12.446  274.767   18.324  236.196   16.958  201.082   6.7246  186.435   6.7120 14.64645 9.501169 
1 1 1   -9   10   52 o  169.312   4.7904  194.179   10.972  207.444   16.081  182.624   15.009  174.703   6.7924  163.921   6.7567 10.78159 9.580720 
1 1 1   -9   10   53 o  205.201   4.7955  286.464   13.316  268.590   18.810  304.420   18.854  198.759   6.9838  211.643   6.5738 -12.88362 9.591010 
1 1 1   -9   10   54 o  155.807   6.3711  169.313   12.510  176.633   15.314  154.626   21.691  161.169   7.0115  150.445   10.640 10.72426 12.74215 
1 1 1   -9   10   55 o  228.761   5.8112  361.570   17.390  377.965   22.184  335.435   28.009  235.753   6.9439  221.770   9.3200 13.98329 11.62240 
1 1 1   -9   10   56 o  277.046   5.9460  506.979   21.276  473.359   26.002  575.102   37.012  263.764   7.2746  290.327   9.4075 -26.56317 11.89206 
1 1 1   -9   10   57 o  161.578   5.0318  177.212   10.997  184.180   16.155  171.194   15.013  164.518   7.2462  158.637   6.9835 5.881607 10.06357 
1 1 1   -9   10   58 o  167.065   4.9589  190.511   11.188  180.100   16.218  199.962   15.453  162.662   7.3577  171.469   6.6503 -8.807037 9.917778 
1 1 1   -9   10   59 o  137.436   5.2188  128.798   9.6889  125.865   14.188  131.361   13.263  135.939   7.7018  138.934   7.0446 -2.995010 10.43766 
1 1 1   -9   10   60 o  116.621   5.5595   93.481   8.6956   85.708   12.921   99.916   11.756  112.095   8.5059  121.147   7.1610 -9.052742 11.11893 
1 1 1   -9   10   61 o  174.314   5.0033  207.098   11.787  203.874   17.243  209.925   16.149  173.006   7.3548  175.623   6.7854 -2.617416 10.00668 
1 1 1   -9   10   62 o  130.255   7.3010  128.836   11.246   87.481   19.698  148.837   13.699  112.657   12.903  147.852   6.8370 -35.19507 14.60203 
1 1 1   -9   10   63 f  161.632   6.9110  177.954   15.137   0.0000   0.0000  177.954   15.137  ?   ?   161.632   6.9110      ?      ? 
1 1 1   -9   10   64 o  212.038   6.0098  291.745   15.988  348.534   29.762  268.709   18.956  225.523   9.7385  198.553   7.0450 26.96996 12.01958 
1 1 1   -9   10   65 o  157.431   5.1423  169.912   10.916  156.199   15.785  182.482   15.113  151.248   7.7015  163.614   6.8162 -12.36621 10.28466 
1 1 1   -9   10   66 f  130.597   5.4180  116.488   9.5621  117.131   14.072  115.936   13.034  130.893   7.9331  130.301   7.3814 0.5916443 10.83603 
1 1 1   -9   10   67 o  200.826   4.9495  275.586   13.455  270.009   19.372  280.784   18.702  198.820   7.1901  202.833   6.8039 -4.013641 9.899018 
1 1 1   -9   10   68 o   72.404   7.7753   38.088   7.1380   27.574   10.458   47.257   9.7665   61.831   12.899   82.976   8.6857 -21.14478 15.55068 
1 1 1   -9   10   69 o  118.097   7.1593   97.741   10.654  100.361   12.991   92.360   18.620  120.985   7.9238  115.208   11.926 5.777344 14.31859 
1 1 1   -9   10   70 o   61.393   8.7424   27.054   6.9975   29.235   10.449   25.280   9.4227   63.621   12.565   59.164   12.159 4.456696 17.48484 
1 1 1   -9   10   71 o  123.360   5.4635  105.363   9.0496   90.873   12.970  119.111   12.633  114.892   8.3302  131.828   7.0717 -16.93607 10.92707 
1 1 1   -9   10   72 o  103.267   5.8420   73.785   8.1428   69.120   11.793   78.035   11.257  100.040   8.6990  106.493   7.8004 -6.453842 11.68410 
1 1 1   -9   10   73 o   66.422   8.8130   30.600   7.6743   24.195   9.9178   40.159   12.115   57.337   13.057   75.507   11.840 -18.16995 17.62595 
1 1 1   -9   10   74 o  110.063   6.6060   85.266   9.5497   88.586   12.248   80.118   15.252  113.221   7.9826  106.906   10.528 6.315155 13.21205 
1 1 1   -9   10   75 o   67.546   7.3972   32.033   6.7506   32.675   9.9784   31.492   9.1667   68.084   10.815   67.008   10.095 1.076645 14.79448 
1 1 1   -9   10   76 o   57.186   10.071   22.668   7.3393   31.514   13.323   18.814   8.7939   64.168   15.496   50.203   12.867 13.96481 20.14186 
1 1 1   -9   10   77 o   96.476   7.0493   61.550   8.6712   78.272   15.766   54.299   10.383  104.813   11.100   88.138   8.6928 16.67561 14.09870 
1 1 1   -9   10   78 o   69.019   9.4983   39.707   7.9812   24.583   13.813   47.286   9.7787   55.943   16.841   82.094   8.7899 -26.15110 18.99663 
1 1 1   -9   10   79 o   48.667   12.754   17.981   8.5132   0.0000   0.0000   17.981   8.5132  ?   ?    48.667   12.754      ?      ? 
1 1 1   -9   10   80 o   49.185   9.7715   20.548   7.5333   5.1620   13.646   27.293   9.0349   37.850   15.848   60.519   11.436 -22.66887 19.54297 
1 1 1   -9   10   81 o  119.729   8.3123  105.146   13.416  105.877   18.140  104.263   19.932  120.686   11.092  118.772   12.384 1.913383 16.62461 
1 1 1   -9   10   82 o  119.194   8.5899  101.539   13.498   74.436   17.539  140.904   21.138   99.626   12.992  138.763   11.241 -39.13749 17.17970 
1 1 1   -9   10   83 o   65.714   11.705   35.219   10.189   33.295   12.910   38.396   16.591   64.319   15.075   67.110   17.910 -2.790756 23.40949 
1 1 1   -9   10   84 o   41.887   11.541   11.744   9.1457   12.036   11.244   11.174   15.723   41.037   15.212   42.737   17.359 -1.700153 23.08120 
1 1 1   -9   10   85 o   29.820   9.6477  -4.2437   8.6425  -0.8059   10.713 -10.6500   14.625   29.919   13.271   29.721   14.007 0.1971626 19.29531 
1 1 1   -9   10   86 o   47.091   11.943   15.370   9.7237   7.8625   12.201   28.439   16.098   37.574   15.281   56.609   18.359 -19.03456 23.88618 
1 1 1   -9   10   87 o   46.619   11.198   17.601   9.5741   26.867   12.314   3.4366   15.225   56.453   15.584   36.784   16.085 19.66985 22.39619 
1 1 1   -9   10   88 o   40.368   15.289   12.054   11.487   12.054   11.487   0.0000   0.0000   40.368   15.289  ?   ?       ?      ? 
1 1 1   -9   10   89 o   58.489   15.897   29.773   12.930   29.773   12.930   0.0000   0.0000   58.489   15.897  ?   ?       ?      ? 
1 1 1   -9   10   90 o   33.033   14.241   3.7147   11.589   3.7147   11.589   0.0000   0.0000   33.033   14.241  ?   ?       ?      ? 
1 1 1   -9   11    1 o  342.151   6.1906  777.167   27.287  848.185   47.393  741.950   33.374  353.535   9.8923  330.766   7.4457 22.76959 12.38124 
1 1 1   -9   11    2 o  453.092   7.3527  1404.61   43.187  1354.05   71.850  1433.21   54.038  446.540   11.874  459.644   8.6755 -13.10434 14.70534 
1 1 1   -9   11    3 o  319.719   6.0313  692.115   25.078  697.959   41.911  688.856   31.299  320.717   9.6433  318.720   7.2467 1.997314 12.06261 
1 1 1   -9   11    4 o  260.789   5.5940  460.827   19.038  462.915   31.533  459.629   23.883  261.219   8.9078  260.358   6.7691 0.8604736 11.18797 
1 1 1   -9   11    5 o  236.005   6.6400  377.655   21.236   0.0000   0.0000  377.655   21.236  ?   ?   236.005   6.6400      ?      ? 
1 1 1   -9   11    6 o  322.240   7.2656  704.159   31.727   0.0000   0.0000  704.159   31.727  ?   ?   322.240   7.2656      ?      ? 
1 1 1   -9   11    7 o  466.215   7.4756  1467.16   44.793  1500.98   77.068  1449.91   55.045  470.123   12.097  462.306   8.7862 7.816589 14.95115 
1 1 1   -9   11    8 o  326.510   5.1498  722.461   22.778  702.645   31.723  743.554   32.728  321.892   7.2724  331.129   7.2935 -9.237183 10.29962 
1 1 1   -9   11    9 o  429.842   5.9009  1253.14   34.369  1242.85   48.195  1263.77   49.025  428.050   8.3085  431.634   8.3815 -3.583099 11.80171 
1 1 1   -9   11   10 o  416.165   5.7919  1174.26   32.656  1151.33   45.573  1198.45   46.817  411.993   8.1627  420.337   8.2191 -8.343964 11.58375 
1 1 1   -9   11   11 o  301.720   6.0034  612.140   23.600  598.414   29.404  636.990   39.565  297.054   7.3046  306.385   9.5292 -9.331635 12.00675 
1 1 1   -9   11   12 o  317.042   5.6767  671.578   21.448  660.664   24.869  703.260   42.371  312.169   5.8788  321.916   9.7129 -9.746826 11.35339 
1 1 1   -9   11   13 o  480.652   7.6433  1561.25   46.960  1546.99   57.420  1590.06   81.608  477.507   8.8736  483.798   12.448 -6.291321 15.28669 
1 1 1   -9   11   14 o  408.209   8.0055  1130.31   44.285  1130.31   44.285   0.0000   0.0000  408.209   8.0055  ?   ?       ?      ? 
1 1 1   -9   11   16 o  355.078   10.390  855.942   49.995   0.0000   0.0000  855.942   49.995  ?   ?   355.078   10.390      ?      ? 
1 1 1   -9   11   17 o  348.218   6.3253  820.563   28.289  815.820   34.789  829.823   48.605  346.817   7.4021  349.618   10.259 -2.801025 12.65059 
1 1 1   -9   11   18 o  247.055   5.5508  409.228   17.648  399.098   21.651  429.276   30.460  242.596   6.5860  251.514   8.9370 -8.917633 11.10156 
1 1 1   -9   11   19 o  373.931   6.5647  948.896   31.542  948.651   38.860  949.369   53.999  373.961   7.6682  373.902   10.657 0.5929565E-01 13.12933 
1 1 1   -9   11   20 o  334.548   6.2152  758.281   26.760  755.531   32.999  763.563   45.734  333.746   7.2962  335.352   10.064 -1.606018 12.43034 
1 1 1   -9   11   21 o  264.936   9.1504  476.430   32.852   0.0000   0.0000  476.430   32.852  ?   ?   264.936   9.1504      ?      ? 
1 1 1   -9   11   22 o  143.680   6.2052  140.023   11.957  114.429   16.493  168.384   17.361  129.830   9.3742  157.529   8.1328 -27.69872 12.41039 
1 1 1   -9   11   23 o  303.761   6.0156  622.664   23.716  614.054   29.460  638.519   39.976  300.863   7.2257  306.658   9.6197 -5.794708 12.03116 
1 1 1   -9   11   24 o  381.236   6.2422  960.809   28.167  934.900   32.463  1039.73   56.658  371.272   6.4523  391.200   10.688 -19.92776 12.48431 
1 1 1   -9   11   25 o  338.879   6.0410  806.402   24.760  842.484   29.427  718.934   45.816  352.453   6.1611  325.305   10.393 27.14819 12.08204 
1 1 1   -9   11   26 o  257.606   5.4181  459.418   16.955  471.495   20.099  429.619   31.570  263.685   5.6248  251.528   9.2621 12.15723 10.83627 
1 1 1   -9   11   27 o  170.423   5.7730  203.146   12.933  238.587   17.422  159.638   19.302  187.531   6.8554  153.316   9.2906 34.21487 11.54603 
1 1 1   -9   11   28 o  146.814   6.1663  151.552   11.129  133.692   19.981  159.585   13.400  140.249   10.513  153.379   6.4471 -13.12932 12.33268 
1 1 1   -9   11   29 o  205.491   4.6168  286.630   12.839  268.518   18.092  305.006   18.223  198.940   6.7110  212.041   6.3420 -13.10133 9.233562 
1 1 1   -9   11   30 o  202.017   4.5873  276.828   12.553  278.590   18.041  275.175   17.477  202.636   6.5701  201.397   6.4036 1.239212 9.174543 
1 1 1   -9   11   31 o  221.985   6.6747  334.369   20.079  334.369   20.079   0.0000   0.0000  221.985   6.6747  ?   ?       ?      ? 
1 1 1   -9   11   32 o  257.291   6.8311  449.247   23.818  449.247   23.818   0.0000   0.0000  257.291   6.8311  ?   ?       ?      ? 
1 1 1   -9   11   33 o   69.564   6.7638   32.421   6.2839   41.269   9.4718   25.466   8.3982   77.932   8.9688   61.196   10.127 16.73658 13.52765 
1 1 1   -9   11   34 o  304.986   10.243  632.691   42.332   0.0000   0.0000  632.691   42.332  ?   ?   304.986   10.243      ?      ? 
1 1 1   -9   11   35 o  218.583   6.6979  321.634   19.733  282.034   26.527  370.692   29.526  203.658   9.6118  233.508   9.3307 -29.85011 13.39586 
1 1 1   -9   11   36 o  328.145   10.264  732.688   45.640  732.688   45.640   0.0000   0.0000  328.145   10.264  ?   ?       ?      ? 
1 1 1   -9   11   37 o  131.482   6.2165  125.116   10.112   97.118   17.233  139.818   12.488  119.438   10.647  143.526   6.4204 -24.08771 12.43294 
1 1 1   -9   11   38 o  257.452   4.8099  449.169   16.764  468.939   24.391  431.471   23.078  262.807   6.8488  252.097   6.7553 10.71036 9.619779 
1 1 1   -9   11   39 o  261.891   6.9506  465.745   24.667  465.745   24.667   0.0000   0.0000  261.891   6.9506  ?   ?       ?      ? 
1 1 1   -9   11   40 o  277.108   4.9233  521.661   18.482  512.570   26.327  530.495   25.951  274.717   7.0718  279.499   6.8517 -4.782593 9.846607 
1 1 1   -9   11   41 o   58.549   8.1539   24.690   6.1916   19.646   9.5906   28.295   8.1076   52.613   13.411   64.484   9.2780 -11.87127 16.30787 
1 1 1   -9   11   42 o  201.959   4.6967  276.163   12.834  292.672   18.796  261.744   17.566  207.594   6.6815  196.324   6.6027 11.26949 9.393466 
1 1 1   -9   11   43 o  162.715   4.7715  179.405   10.495  185.617   15.497  174.142   14.264  165.301   6.9181  160.129   6.5735 5.171448 9.543089 
1 1 1   -9   11   44 o  178.871   6.5463  217.306   15.868   0.0000   0.0000  217.306   15.868  ?   ?   178.871   6.5463      ?      ? 
1 1 1   -9   11   45 o  348.113   7.7217  826.688   36.423  812.096   51.191  841.650   51.835  344.996   10.949  351.231   10.891 -6.234589 15.44331 
1 1 1   -9   11   46 o  138.358   7.3941  130.724   13.845  124.005   19.690  137.296   19.472  134.809   10.778  141.908   10.126 -7.099136 14.78822 
1 1 1   -9   11   47 o  123.442   5.2101  102.812   8.6718  111.370   13.087   96.114   11.579  127.976   7.5463  118.908   7.1856 9.068405 10.42017 
1 1 1   -9   11   48 o  159.115   4.8614  172.399   10.455  166.770   15.191  177.464   14.411  156.622   7.1575  161.608   6.5804 -4.985947 9.722749 
1 1 1   -9   11   49 o  241.260   4.8657  395.364   15.890  401.572   23.104  389.792   21.888  243.040   7.0151  239.479   6.7446 3.561111 9.731445 
1 1 1   -9   11   50 o  215.855   4.8160  316.962   14.071  311.451   20.292  322.066   19.528  214.027   6.9965  217.682   6.6200 -3.655945 9.632038 
1 1 1   -9   11   51 o  172.837   6.0948  201.930   13.476  198.786   16.470  208.301   23.444  170.967   7.1087  174.707   9.9022 -3.740540 12.18967 
1 1 1   -9   11   52 o  150.549   7.2540  154.187   14.799  154.187   14.799   0.0000   0.0000  150.549   7.2540  ?   ?       ?      ? 
1 1 1   -9   11   53 o  153.714   5.8001  159.392   11.827  153.690   15.123  168.374   18.979  150.281   7.4257  157.146   8.9121 -6.865677 11.60028 
1 1 1   -9   11   54 o  264.562   5.0647  475.687   18.145  490.728   26.272  461.968   25.091  268.548   7.2192  260.577   7.1055 7.970856 10.12940 
1 1 1   -9   11   55 o  167.052   5.0215  190.928   11.300  177.033   16.504  203.191   15.505  161.252   7.5528  172.851   6.6193 -11.59926 10.04294 
1 1 1   -9   11   56 o  123.897   5.3732  103.981   8.9659  109.354   13.582   99.831   11.936  126.692   7.9110  121.101   7.2734 5.590889 10.74645 
1 1 1   -9   11   57 o   51.230   9.2303   17.877   6.4582   25.061   10.106   12.919   8.3961   59.244   12.950   43.215   13.157 16.02974 18.46068 
1 1 1   -9   11   58 o   71.713   7.7757   34.555   7.2416   46.004   11.374   26.750   9.3909   81.985   10.238   61.442   11.706 20.54385 15.55141 
1 1 1   -9   11   59 o  254.549   7.3218  441.434   25.257  441.434   25.257   0.0000   0.0000  254.549   7.3218  ?   ?       ?      ? 
1 1 1   -9   11   60 o  160.895   6.4402  179.692   12.720  170.467   23.337  183.591   15.172  157.596   10.927  164.193   6.8189 -6.597382 12.88047 
1 1 1   -9   11   62 o  147.042   5.5013  151.834   10.640  116.578   15.637  182.230   14.519  130.529   8.8400  163.555   6.5507 -33.02638 11.00267 
1 1 1   -9   11   63 o   93.479   6.3493   59.872   7.9712   59.788   12.100   59.937   10.595   93.353   9.5647   93.606   8.3527 -0.2534256 12.69851 
1 1 1   -9   11   64 o  139.012   5.2579  132.002   9.8574  132.187   14.678  131.850   13.304  139.044   7.7900  138.979   7.0639 0.6602478E-01 10.51583 
1 1 1   -9   11   65 o  200.099   7.2032  273.604   19.532  273.604   19.532   0.0000   0.0000  200.099   7.2032  ?   ?       ?      ? 
1 1 1   -9   11   66 o  115.705   7.0572   91.488   10.504   89.678   12.906   95.037   18.077  114.335   8.3300  117.075   11.394 -2.740761 14.11443 
1 1 1   -9   11   67 o  127.099   6.7977  109.556   11.111  105.616   13.599  117.468   19.271  124.052   8.0898  130.146   10.926 -6.094009 13.59530 
1 1 1   -9   11   68 o  106.096   5.9793   79.451   8.3405   59.516   12.073   97.649   11.536   92.799   9.6007  119.393   7.1298 -26.59352 11.95856 
1 1 1   -9   11   69 o   90.410   6.1703   55.897   7.5265   62.827   11.260   50.301   10.119   95.435   8.7069   85.386   8.7452 10.04863 12.34054 
1 1 1   -9   11   70 o   88.599   6.2561   54.203   7.4770   55.092   11.156   53.478   10.075   89.179   9.2311   88.019   8.4466 1.159325 12.51229 
1 1 1   -9   11   71 o   49.515   9.2163   18.347   6.3809   13.682   9.5183   22.156   8.5994   43.933   14.104   55.096   11.868 -11.16259 18.43264 
1 1 1   -9   11   72 o  144.117   5.9361  137.926   11.293  118.916   14.147  171.316   18.750  131.158   7.9597  157.076   8.8085 -25.91777 11.87212 
1 1 1   -9   11   73 o   80.001   6.6503   44.424   7.1795   50.505   10.598   39.266   9.7604   85.083   9.1917   74.920   9.6136 10.16242 13.30063 
1 1 1   -9   11   74 o  110.714   6.6399   79.048   9.2984  105.727   17.304   68.217   11.025  122.371   10.435   99.058   8.2134 23.31285 13.27972 
1 1 1   -9   11   75 o   67.410   8.8162   28.668   7.3635   47.833   14.025   21.375   8.6518   81.277   12.734   53.543   12.196 27.73429 17.63242 
1 1 1   -9   11   76 o   56.988   9.3253   28.374   7.3588   10.474   13.235   36.385   8.8534   42.059   16.289   71.916   9.0845 -29.85762 18.65061 
1 1 1   -9   11   77 o   68.612   9.7348   37.916   8.0367   29.599   14.701   41.461   9.5978   60.642   17.133   76.582   9.2484 -15.93926 19.46957 
1 1 1   -9   11   78 o   86.402   8.6760   52.680   10.158   0.0000   0.0000   52.680   10.158  ?   ?    86.402   8.6760      ?      ? 
1 1 1   -9   11   79 o   36.809   10.828   5.2550   8.8374   4.3993   11.652   6.4140   13.560   35.163   14.677   38.455   15.923 -3.292088 21.65549 
1 1 1   -9   11   80 o   80.478   10.160   50.063   10.736   49.708   14.280   50.526   16.281   81.447   12.938   79.508   15.668 1.939522 20.31916 
1 1 1   -9   11   81 o   87.974   9.6323   58.247   11.394   53.355   15.015   64.889   17.495   83.974   13.194   91.975   14.037 -8.001427 19.26460 
1 1 1   -9   11   82 o   59.986   11.992   28.715   10.217   20.602   13.095   41.339   16.335   50.114   16.574   69.859   17.337 -19.74575 23.98447 
1 1 1   -9   11   83 o   64.415   11.999   34.346   10.511   29.080   13.613   42.120   16.541   58.720   16.451   70.110   17.472 -11.38964 23.99804 
1 1 1   -9   11   84 o   40.727   11.307   8.2378   9.2584   0.8337   11.753   20.345   15.030   32.101   14.082   49.353   17.693 -17.25182 22.61336 
1 1 1   -9   11   85 o   58.981   11.555   26.234   10.281   11.856   13.027   49.984   16.743   41.181   16.101   76.781   16.577 -35.59980 23.10925 
1 1 1   -9   11   86 o   40.186   11.405   10.615   9.2643   10.001   11.744   11.627   15.073   38.667   15.236   41.704   16.975 -3.037083 22.81010 
1 1 1   -9   11   88 o   52.352   16.593   24.709   13.207   24.709   13.207   0.0000   0.0000   52.352   16.593  ?   ?       ?      ? 
1 1 1   -9   11   89 o   38.184   15.321   10.394   12.085   10.394   12.085   0.0000   0.0000   38.184   15.321  ?   ?       ?      ? 
1 1 1   -9   11   90 o   36.372   15.292   8.1321   12.789   8.1321   12.789   0.0000   0.0000   36.372   15.292  ?   ?       ?      ? 
1 1 1   -9   12    1 o  440.157   7.4698  1325.42   42.083  1287.16   72.060  1345.23   51.842  435.113   12.221  445.201   8.5929 -10.08789 14.93969 
1 1 1   -9   12    2 o  314.599   5.0817  671.627   21.657  685.024   30.440  657.894   30.818  317.783   7.0686  311.415   7.3026 6.368195 10.16333 
1 1 1   -9   12    3 o  252.460   4.7612  432.801   16.265  458.212   22.944  407.132   23.060  259.926   6.5139  244.994   6.9458 14.93205 9.522339 
1 1 1   -9   12    4 o  402.092   5.6930  1097.21   31.016  1119.75   43.844  1074.63   43.881  406.232   7.9644  397.952   8.1370 8.280426 11.38609 
1 1 1   -9   12    5 o  391.331   5.6142  1037.37   29.744  1000.13   40.981  1078.82   43.238  383.927   7.8768  398.736   8.0019 -14.80887 11.22835 
1 1 1   -9   12    6 o  238.548   4.7255  384.597   15.249  361.161   20.843  411.585   22.367  230.758   6.6654  246.339   6.7003 -15.58127 9.451025 
1 1 1   -9   12    7 o  299.081   5.0051  605.896   20.269  585.532   27.978  628.387   29.404  293.803   7.0272  304.360   7.1290 -10.55679 10.01020 
1 1 1   -9   12    8 o  441.087   6.0265  1320.53   36.018  1326.32   50.606  1314.59   51.274  442.073   8.4474  440.101   8.5974 1.972412 12.05297 
1 1 1   -9   12    9 o  525.664   8.4507  1903.33   56.625  1954.75   69.704  1803.53   97.103  536.550   9.5865  514.777   13.920 21.77271 16.90144 
1 1 1   -9   12   10 o  388.488   7.1245  1047.38   35.000  1090.97   42.939  961.069   60.416  400.973   7.9023  376.004   11.857 24.96982 14.24909 
1 1 1   -9   12   11 f  268.668   6.7848  489.615   24.702  489.615   24.702   0.0000   0.0000  268.668   6.7848  ?   ?       ?      ? 
1 1 1   -9   12   12 o  360.028   6.7094  904.172   31.549  989.614   40.795  777.036   49.764  381.887   7.8831  338.169   10.859 43.71774 13.41879 
1 1 1   -9   12   13 o  464.215   7.1005  1461.91   38.966  1460.03   45.155  1467.38   77.116  463.909   7.1828  464.521   12.251 -0.6123352 14.20103 
1 1 1   -9   12   14 o  283.667   5.5865  552.983   18.962  561.058   22.207  531.254   36.429  287.642   5.6972  279.691   9.6113 7.951294 11.17294 
1 1 1   -9   12   15 o  303.805   5.6743  621.658   20.556  616.494   23.889  636.388   40.347  301.509   5.8468  306.102   9.7266 -4.592682 11.34862 
1 1 1   -9   12   16 o  398.842   6.8848  1047.00   35.095  985.301   42.455  1180.13   62.365  381.003   8.2228  416.681   11.045 -35.67798 13.76955 
1 1 1   -9   12   17 o  338.685   7.1947  778.803   33.007  760.672   45.873  798.266   47.529  334.606   10.117  342.764   10.232 -8.158112 14.38932 
1 1 1   -9   12   18 o  358.926   6.5454  880.537   30.432  894.502   37.999  855.559   50.819  363.046   7.7237  354.805   10.569 8.241425 13.09084 
1 1 1   -9   12   19 o  268.859   5.5212  497.981   17.866  506.989   21.015  474.494   33.934  273.418   5.6718  264.299   9.4744 9.119720 11.04236 
1 1 1   -9   12   20 o  281.500   5.5407  538.572   18.749  539.395   21.942  536.344   36.090  282.014   5.7415  280.986   9.4781 1.028259 11.08147 
1 1 1   -9   12   21 o  327.235   6.3711  740.432   27.296  784.247   35.006  672.470   43.597  339.922   7.5994  314.549   10.228 25.37289 12.74215 
1 1 1   -9   12   22 o  166.038   5.1773  187.432   10.534  187.874   12.479  186.333   19.646  166.439   5.5329  165.638   8.7524 0.8003845 10.35454 
1 1 1   -9   12   23 o  279.404   5.4810  521.885   18.378  512.852   21.389  547.362   35.921  274.975   5.7400  283.834   9.3391 -8.858337 10.96206 
1 1 1   -9   12   24 o  257.560   5.9035  458.900   19.977  489.833   25.822  412.793   31.526  268.653   7.0929  246.467   9.4391 22.18538 11.80702 
1 1 1   -9   12   25 o  266.370   5.8248  477.048   20.311  463.883   25.443  500.178   33.724  261.427   7.1817  271.313   9.1725 -9.885986 11.64954 
1 1 1   -9   12   26 o  141.341   5.2645  136.138   9.2242  136.911   11.027  134.337   16.835  142.067   5.7275  140.615   8.8350 1.452515 10.52907 
1 1 1   -9   12   27 o  199.526   5.4535  267.288   14.225  259.208   17.776  281.679   23.723  195.432   6.7120  203.621   8.5973 -8.189163 10.90709 
1 1 1   -9   12   28 o  164.170   5.4591  181.745   11.783  177.891   14.878  188.231   19.301  161.893   6.7816  166.447   8.5568 -4.553757 10.91829 
1 1 1   -9   12   29 o  139.254   5.6833  132.230   10.452  134.055   13.408  129.404   16.685  140.524   7.0410  137.984   8.9231 2.539246 11.36650 
1 1 1   -9   12   30 o  120.709   5.9076   99.691   9.4091  102.172   12.090   95.880   14.984  122.668   7.2728  118.751   9.3115 3.917122 11.81516 
1 1 1   -9   12   31 o  130.299   6.1660  115.217   10.887  115.217   10.887   0.0000   0.0000  130.299   6.1660  ?   ?       ?      ? 
1 1 1   -9   12   32 o  102.179   7.1134   75.044   8.9831   82.283   11.009   60.619   15.541  110.071   7.3804   94.288   12.163 15.78259 14.22675 
1 1 1   -9   12   33 o  207.196   4.6548  291.735   13.056  278.818   18.577  304.341   18.352  202.649   6.7648  211.744   6.3957 -9.095184 9.309566 
1 1 1   -9   12   34 o  165.809   4.6545  186.470   10.447  190.359   15.193  182.982   14.389  167.442   6.6955  164.176   6.4674 3.265320 9.308971 
1 1 1   -9   12   35 o   98.352   5.4982   66.669   7.2233   57.341   10.624   74.688   9.8504   91.834   8.5368  104.870   6.9313 -13.03597 10.99641 
1 1 1   -9   12   36 o  124.171   4.9596  104.734   8.3247  104.568   12.205  104.879   11.383  124.068   7.2594  124.273   6.7594 -0.2054291 9.919141 
1 1 1   -9   12   37 o  238.377   4.7581  385.638   15.361  393.496   22.184  378.400   21.292  240.703   6.8011  236.052   6.6562 4.650665 9.516297 
1 1 1   -9   12   39 o  167.865   4.7005  190.342   10.662  206.402   15.812  176.952   14.438  174.320   6.6937  161.411   6.6009 12.90898 9.400943 
1 1 1   -9   12   40 o  150.786   4.8609  153.143   9.8891  172.781   14.769  137.182   13.315  159.476   6.8338  142.096   6.9146 17.38000 9.721812 
1 1 1   -9   12   41 o  253.094   4.8559  434.669   16.642  449.942   24.113  420.776   22.997  257.330   6.9148  248.859   6.8194 8.470398 9.711715 
1 1 1   -9   12   42 o  128.962   5.2005  112.199   9.0339  120.677   13.711  105.695   12.009  133.220   7.5947  124.704   7.1064 8.516090 10.40102 
1 1 1   -9   12   43 o  228.314   5.8809  340.962   16.758  390.079   31.251  321.138   19.854  239.235   9.6396  217.393   6.7393 21.84216 11.76178 
1 1 1   -9   12   44 o  167.911   4.8357  190.734   10.963  201.592   16.369  181.902   14.763  172.211   7.0140  163.610   6.6588 8.600418 9.671364 
1 1 1   -9   12   45 o   97.839   5.7635   63.562   7.5457   78.630   11.736   52.942   9.8521  107.488   8.0568   88.190   8.2438 19.29790 11.52697 
1 1 1   -9   12   46 o  180.146   4.8230  221.650   11.718  204.084   16.939  237.770   16.227  173.234   7.2157  187.058   6.4016 -13.82396 9.646061 
1 1 1   -9   12   47 o  139.010   5.1539  132.460   9.6265  121.055   14.167  142.241   13.120  133.366   7.8391  144.653   6.6933 -11.28763 10.30781 
1 1 1   -9   12   48 o  249.254   4.9722  420.974   16.763  449.681   24.633  396.213   22.877  257.135   7.0693  241.374   6.9940 15.76083 9.944351 
1 1 1   -9   12   49 o  258.315   7.2909  453.987   25.522  453.987   25.522   0.0000   0.0000  258.315   7.2909  ?   ?       ?      ? 
1 1 1   -9   12   50 o  290.899   7.3045  572.552   28.652  645.816   43.091  514.494   38.360  307.410   10.344  274.387   10.316 33.02304 14.60897 
1 1 1   -9   12   51 o  163.852   7.5423  183.589   16.672  207.435   23.974  161.255   23.201  174.226   10.154  153.479   11.155 20.74759 15.08464 
1 1 1   -9   12   52 o  219.402   6.1059  323.200   17.277  312.362   21.212  344.559   29.778  214.220   7.3071  224.584   9.7844 -10.36391 12.21181 
1 1 1   -9   12   53 o  103.017   5.9506   71.333   8.2323   80.018   12.729   65.089   10.793  108.310   8.6725   97.723   8.1503 10.58628 11.90125 
1 1 1   -9   12   54 o  138.550   5.2967  131.672   9.8606  121.853   14.584  139.942   13.383  133.702   8.0492  143.398   6.8871 -9.695786 10.59347 
1 1 1   -9   12   55 o  272.405   7.3404  505.424   27.097  505.424   27.097   0.0000   0.0000  272.405   7.3404  ?   ?       ?      ? 
1 1 1   -9   12   56 o  244.505   7.3107  407.294   24.223  407.294   24.223   0.0000   0.0000  244.505   7.3107  ?   ?       ?      ? 
1 1 1   -9   12   57 o   70.531   9.6262   31.123   8.0169   46.388   16.073   26.067   9.2496   80.474   15.298   60.588   11.689 19.88562 19.25236 
1 1 1   -9   12   58 o   40.722   9.9242   10.701   7.1844  -6.4977   14.821   15.983   8.2139   34.140   15.343   47.304   12.591 -13.16367 19.84834 
1 1 1   -9   12   59 o  186.764   10.683  239.729   27.038  239.729   27.038   0.0000   0.0000  186.764   10.683  ?   ?       ?      ? 
1 1 1   -9   12   60 o  158.684   5.1535  172.973   11.004  158.877   16.106  185.314   15.070  152.499   7.7936  164.868   6.7450 -12.36917 10.30704 
1 1 1   -9   12   61 o  111.557   5.7410   84.696   8.6239   89.001   13.074   81.380   11.474  114.007   8.4624  109.107   7.7604 4.899551 11.48200 
1 1 1   -9   12   62 o  111.328   5.8368   86.151   8.6694   74.829   12.860   95.583   11.737  104.396   9.0902  118.261   7.3240 -13.86536 11.67362 
1 1 1   -9   12   63 o  134.861   5.3502  124.441   9.7266  124.791   14.522  124.157   13.099  134.964   7.9403  134.757   7.1728 0.2074585 10.70039 
1 1 1   -9   12   64 o  103.107   7.3964   72.851   9.9569   70.991   12.441   76.163   16.606  101.564   9.0396  104.651   11.709 -3.086716 14.79274 
1 1 1   -9   12   65 o  117.365   5.6520   94.757   8.9383   92.878   13.293   96.308   12.076  116.211   8.4407  118.518   7.5190 -2.307297 11.30403 
1 1 1   -9   12   66 o  124.168   5.4843  105.441   9.1938  111.210   13.729  100.752   12.379  127.187   7.9657  121.149   7.5403 6.037109 10.96853 
1 1 1   -9   12   67 o  122.871   5.5281  104.888   9.1112   92.823   13.312  115.520   12.497  115.997   8.4688  129.746   7.1075 -13.74922 11.05610 
1 1 1   -9   12   68 o  124.202   5.4197  106.356   9.0928  104.495   13.335  107.974   12.431  123.098   7.9936  125.307   7.3207 -2.208961 10.83931 
1 1 1   -9   12   69 o   90.416   6.2150   57.036   7.5478   53.628   11.235   59.839   10.190   87.779   9.4448   93.053   8.0807 -5.274406 12.42994 
1 1 1   -9   12   70 o   60.465   9.1932   27.749   7.4626   35.398   10.088   18.505   11.090   70.984   10.487   49.945   15.102 21.03880 18.38649 
1 1 1   -9   12   71 o   88.596   7.4219   56.799   8.6445   64.928   11.539   46.400   13.051   96.522   8.8218   80.671   11.938 15.85079 14.84376 
1 1 1   -9   12   72 o  133.499   6.4114  120.846   10.696  135.009   19.749  114.967   12.724  138.104   10.553  128.894   7.2845 9.210251 12.82271 
1 1 1   -9   12   73 o   68.089   9.1817   31.035   7.5668   44.997   14.389   25.698   8.8962   77.167   14.286   59.012   11.538 18.15575 18.36341 
1 1 1   -9   12   74 o   85.130   8.4133   54.325   8.4426   49.404   15.369   56.452   10.104   80.452   14.636   89.807   8.3020 -9.354591 16.82662 
1 1 1   -9   12   75 o  102.693   7.2898   76.901   9.3462   71.139   16.417   79.664   11.368   98.661   12.279  106.725   7.8604 -8.064842 14.57952 
1 1 1   -9   12   76 o  101.584   8.1335   72.526   11.197   0.0000   0.0000   72.526   11.197  ?   ?   101.584   8.1335      ?      ? 
1 1 1   -9   12   77 o  112.980   12.282   94.363   18.804   0.0000   0.0000   94.363   18.804  ?   ?   112.980   12.282      ?      ? 
1 1 1   -9   12   78 o   88.866   9.4137   59.612   11.306   59.926   15.489   59.254   16.541   89.476   12.774   88.256   13.831 1.220100 18.82748 
1 1 1   -9   12   79 o  107.019   8.6638   84.400   12.419   68.768   16.679  103.854   18.606   95.509   12.887  118.529   11.584 -23.01962 17.32752 
1 1 1   -9   12   80 o   69.320   11.502   38.930   10.655   30.257   14.111   50.434   16.251   59.930   16.734   78.709   15.786 -18.77832 23.00475 
1 1 1   -9   12   81 o   68.569   11.844   39.558   10.826   38.638   14.291   40.796   16.585   68.423   15.741   68.714   17.702 -0.2908096 23.68834 
1 1 1   -9   12   82 o   78.023   10.923   47.006   11.214   31.855   14.366   70.636   17.940   60.908   16.841   95.137   13.915 -34.22883 21.84586 
1 1 1   -9   12   84 o   35.129   10.263   3.5452   8.9569   13.416   11.509 -11.6179   14.264   41.711   15.404   28.546   13.565 13.16477 20.52571 
1 1 1   -9   12   85 o   33.777   14.348   4.5110   11.448   4.5110   11.448   0.0000   0.0000   33.777   14.348  ?   ?       ?      ? 
1 1 1   -9   12   86 o   37.311   14.912   9.3505   11.399   9.3505   11.399   0.0000   0.0000   37.311   14.912  ?   ?       ?      ? 
1 1 1   -9   12   87 o   45.736   16.288   18.601   12.717   18.601   12.717   0.0000   0.0000   45.736   16.288  ?   ?       ?      ? 
1 1 1   -9   12   88 o   54.284   16.876   28.094   13.728   28.094   13.728   0.0000   0.0000   54.284   16.876  ?   ?       ?      ? 
1 1 1   -9   12   89 o   39.334   15.830   12.638   12.944   12.638   12.944   0.0000   0.0000   39.334   15.830  ?   ?       ?      ? 
1 1 1   -9   13    1 o  288.923   4.9628  566.871   19.417  579.616   27.167  553.559   27.763  292.255   6.8596  285.590   7.1738 6.665161 9.925566 
1 1 1   -9   13    2 f  193.106   4.6640  252.564   12.184  245.677   16.667  260.470   17.857  190.289   6.4633  195.923   6.7258 -5.634155 9.327963 
1 1 1   -9   13    3 o  262.519   4.8605  464.134   17.223  426.568   23.156  510.653   25.768  250.723   6.8153  274.316   6.9319 -23.59322 9.721083 
1 1 1   -9   13    4 o  217.861   6.4802  338.431   16.764  358.030   19.794  288.711   31.527  229.721   6.3584  206.000   11.294 23.72127 12.96046 
1 1 1   -9   13    5 o  211.264   6.4764  302.824   18.541  302.824   18.541   0.0000   0.0000  211.264   6.4764  ?   ?       ?      ? 
1 1 1   -9   13    6 o  277.605   5.9436  521.368   20.946  517.719   25.455  529.019   36.861  276.215   6.8006  278.995   9.7497 -2.779236 11.88713 
1 1 1   -9   13    7 f  192.265   5.5819  256.432   13.762  269.205   17.154  233.366   23.052  199.197   6.3546  185.333   9.1787 13.86392 11.16375 
1 1 1   -9   13    8 o  307.851   6.0740  638.125   23.925  627.121   29.227  660.476   41.654  303.980   7.0951  311.722   9.8607 -7.742432 12.14795 
1 1 1   -9   13    9 o  390.995   6.8267  1031.90   34.087  1018.08   41.599  1060.16   59.466  387.229   7.9275  394.760   11.116 -7.530792 13.65339 
1 1 1   -9   13   10 o  411.257   7.0358  1149.86   37.092  1150.15   45.593  1149.30   63.785  411.550   8.1751  410.964   11.453 0.5858154 14.07161 
1 1 1   -9   13   11 o  186.260   5.5621  236.829   13.367  239.810   16.599  231.330   22.546  187.997   6.5154  184.524   9.0164 3.473068 11.12411 
1 1 1   -9   13   12 o  457.370   8.5980  1419.23   53.187  1541.12   77.813  1312.36   72.865  475.750   12.070  438.990   12.248 36.75949 17.19590 
1 1 1   -9   13   13 o  522.451   8.2356  1853.85   55.130  1845.27   67.655  1870.81   95.108  521.044   9.5817  523.857   13.397 -2.812683 16.47120 
1 1 1   -9   13   14 o  448.073   7.4368  1380.12   42.940  1414.53   53.432  1317.38   72.157  456.319   8.6407  439.826   12.106 16.49341 14.87365 
1 1 1   -9   13   15 o  307.153   9.9017  641.442   41.214   0.0000   0.0000  641.442   41.214  ?   ?   307.153   9.9017      ?      ? 
1 1 1   -9   13   16 o  237.751   5.6224  376.167   17.216  360.199   21.063  408.303   29.882  230.378   6.7469  245.125   8.9958 -14.74629 11.24479 
1 1 1   -9   13   17 o  284.179   9.6070  549.029   36.997   0.0000   0.0000  549.029   36.997  ?   ?   284.179   9.6070      ?      ? 
1 1 1   -9   13   18 o  321.007   6.2202  701.602   25.737  704.752   31.858  695.682   43.669  322.190   7.2966  319.824   10.076 2.366272 12.44037 
1 1 1   -9   13   19 o  375.753   6.3870  977.850   28.776  999.820   33.815  920.179   54.788  383.828   6.5012  367.677   10.996 16.15103 12.77405 
1 1 1   -9   13   20 o  379.649   6.8141  986.386   33.603  1002.75   42.111  957.708   55.754  384.211   8.0880  375.086   10.969 9.124817 13.62826 
1 1 1   -9   13   21 o  254.720   5.8405  439.592   19.485  436.114   24.536  445.528   32.060  253.446   7.1440  255.993   9.2417 -2.547134 11.68098 
1 1 1   -9   13   22 o  224.013   5.2768  337.898   14.284  334.466   16.721  347.164   27.476  222.039   5.5570  225.988   8.9720 -3.949173 10.55351 
1 1 1   -9   13   23 o  226.120   5.5581  339.281   16.199  322.566   19.808  373.027   28.145  217.986   6.7055  234.255   8.8661 -16.26828 11.11628 
1 1 1   -9   13   24 o  209.002   5.3078  302.160   13.451  309.303   15.916  284.310   25.159  213.519   5.5007  204.485   9.0792 9.034103 10.61558 
1 1 1   -9   13   25 o  300.051   5.7545  619.536   20.774  628.957   24.413  594.807   39.550  304.441   5.9174  295.660   9.8713 8.780914 11.50903 
1 1 1   -9   13   26 o  327.573   6.4021  738.852   27.388  766.253   34.767  694.038   44.462  335.849   7.6391  319.296   10.276 16.55310 12.80416 
1 1 1   -9   13   27 o  188.699   5.3398  240.779   12.156  239.454   14.233  244.352   23.372  187.855   5.5910  189.543   9.0992 -1.688004 10.67963 
1 1 1   -9   13   28 o  124.131   6.0627  104.584   10.198  104.584   10.198   0.0000   0.0000  124.131   6.0627  ?   ?       ?      ? 
1 1 1   -9   13   29 o  184.106   5.3037  235.214   11.848  241.733   14.043  219.107   22.073  188.745   5.4904  179.468   9.0758 9.277023 10.60734 
1 1 1   -9   13   30 o  132.992   5.3124  117.177   8.7927  112.855   10.438  127.739   16.317  128.943   5.9735  137.041   8.7866 -8.098267 10.62478 
1 1 1   -9   13   31 o  139.800   5.3147  129.672   9.1977  125.338   10.883  140.504   17.206  135.887   5.9101  143.714   8.8348 -7.827606 10.62935 
1 1 1   -9   13   32 o  197.073   5.1822  257.430   12.435  249.568   14.558  278.646   23.916  191.760   5.6021  202.385   8.7200 -10.62502 10.36448 
1 1 1   -9   13   33 o  122.189   5.4209   98.389   8.3712   93.314   10.034  110.011   15.184  117.226   6.3163  127.152   8.8120 -9.926086 10.84190 
1 1 1   -9   13   34 o  102.755   5.9239   72.470   7.7025   73.675   9.3904   69.994   13.466  104.146   6.6536  101.364   9.8031 2.781700 11.84786 
1 1 1   -9   13   35 o  173.559   5.7037  210.337   12.856  227.103   16.418  183.760   20.671  182.845   6.6262  164.274   9.2857 18.57169 11.40746 
1 1 1   -9   13   36 o   96.838   5.6767   64.227   7.3937   58.915   10.843   68.843   10.108   93.042   8.5998  100.633   7.4123 -7.590836 11.35332 
1 1 1   -9   13   37 o  121.847   5.0924  101.132   8.3767   98.193   12.292  103.680   11.446  120.172   7.5484  123.523   6.8377 -3.350830 10.18488 
1 1 1   -9   13   38 o   95.052   5.8085   62.806   7.3203   51.100   10.785   72.806   9.9679   86.611   9.1892  103.493   7.1074 -16.88196 11.61703 
1 1 1   -9   13   39 o  110.296   6.5889   78.356   8.9548   93.876   17.234   72.617   10.481  117.256   10.846  103.335   7.4844 13.92123 13.17780 
1 1 1   -9   13   40 o   89.562   7.4891   54.143   8.1675   56.180   15.542   53.366   9.6001   90.568   12.663   88.557   7.9997 2.011772 14.97822 
1 1 1   -9   13   41 o  108.357   5.4693   80.032   7.9860   78.429   11.877   81.356   10.789  107.339   8.1649  109.375   7.2794 -2.036461 10.93869 
1 1 1   -9   13   42 o  164.376   4.8699  183.956   10.820  179.713   15.773  187.726   14.870  162.561   7.1603  166.191   6.6027 -3.630188 9.739842 
1 1 1   -9   13   43 o  197.930   4.8075  266.858   12.870  253.297   18.442  279.734   17.970  192.993   7.0514  202.867   6.5366 -9.874008 9.615022 
1 1 1   -9   13   44 o  154.919   5.0081  164.124   10.456  149.218   15.094  177.878   14.499  148.081   7.5217  161.757   6.6143 -13.67551 10.01619 
1 1 1   -9   13   45 o  110.551   6.6899   84.348   9.7974   88.486   12.774   78.437   15.268  113.972   8.2708  107.129   10.517 6.843117 13.37984 
1 1 1   -9   13   46 o  196.221   7.2466  261.990   19.269  261.990   19.269   0.0000   0.0000  196.221   7.2466  ?   ?       ?      ? 
1 1 1   -9   13   47 o   76.761   8.3663   40.522   8.6538   41.839   11.753   38.962   12.789   78.181   11.094   75.340   12.526 2.840141 16.73251 
1 1 1   -9   13   48 o  117.086   5.6960   95.304   8.8480   80.514   13.242  107.234   11.893  108.632   8.9950  125.540   6.9907 -16.90800 11.39208 
1 1 1   -9   13   49 o   97.610   6.1815   65.045   8.0922   64.627   12.340   65.361   10.719   97.286   9.3601   97.933   8.0766 -0.6472702 12.36296 
1 1 1   -9   13   50 o  159.777   5.0689  171.811   10.911  194.192   16.529  154.525   14.526  168.888   7.2221  150.665   7.1146 18.22258 10.13784 
1 1 1   -9   13   51 o  184.357   5.0186  232.630   12.471  212.426   18.025  251.183   17.272  176.582   7.5324  192.133   6.6337 -15.55084 10.03713 
1 1 1   -9   13   52 o  210.832   5.0051  300.908   14.245  322.902   21.316  283.161   19.148  217.729   7.2246  203.934   6.9288 13.79539 10.01012 
1 1 1   -9   13   53 o  232.796   5.0401  366.754   15.839  397.074   23.711  342.324   21.284  241.405   7.2479  224.186   7.0057 17.21898 10.08029 
1 1 1   -9   13   54 o  126.088   7.4841  117.105   11.061   92.403   20.671  127.016   13.093  115.646   13.190  136.529   7.0766 -20.88243 14.96830 
1 1 1   -9   13   55 f  123.693   8.1362  121.070   11.163   76.079   20.942  138.930   13.194  104.594   14.775  142.793   6.8187 -38.19900 16.27239 
1 1 1   -9   13   56 o  119.915   7.0685   88.831   10.325  122.109   20.729   77.849   11.908  133.109   11.492  106.721   8.2339 26.38866 14.13701 
1 1 1   -9   13   57 o   82.236   10.492   47.347   11.277   63.146   16.958   34.821   15.100   95.394   13.118   69.079   16.379 26.31522 20.98485 
1 1 1   -9   13   58 o   80.057   9.0307   41.759   9.1331   27.272   11.428   67.369   15.194   61.363   14.046   98.752   11.354 -37.38878 18.06135 
1 1 1   -9   13   59 o   82.334   6.8142   47.193   7.4482   43.486   11.490   49.879   9.7818   79.370   10.683   85.298   8.4625 -5.927811 13.62844 
1 1 1   -9   13   60 o   69.774   7.5293   33.292   7.0200   35.789   11.031   31.592   9.1010   71.858   11.328   67.690   9.9217 4.168121 15.05850 
1 1 1   -9   13   61 o  113.656   7.7321   88.545   11.909   0.0000   0.0000   88.545   11.909  ?   ?   113.656   7.7321      ?      ? 
1 1 1   -9   13   62 o  127.168   11.026  112.397   19.001   0.0000   0.0000  112.397   19.001  ?   ?   127.168   11.026      ?      ? 
1 1 1   -9   13   63 o   50.301   9.1004   19.476   6.4625   11.037   10.299   24.956   8.2996   41.553   14.673   59.050   10.769 -17.49745 18.20073 
1 1 1   -9   13   64 o   44.277   9.5788   13.098   6.3112   19.109   9.9863   9.1000   8.1437   51.018   14.014   37.535   13.062 13.48266 19.15767 
1 1 1   -9   13   65 f  118.735   5.5321   96.598   8.8586  102.449   13.330   91.971   11.855  121.874   8.0713  115.596   7.5679 6.277260 11.06428 
1 1 1   -9   13   66 o   89.809   6.2869   55.992   7.5844   55.651   11.484   56.256   10.101   89.424   9.4767   90.195   8.2638 -0.7705688 12.57373 
1 1 1   -9   13   67 o   51.232   9.2797   19.204   6.4071   21.508   9.9362   17.564   8.3827   53.714   13.629   48.750   12.598 4.963314 18.55939 
1 1 1   -9   13   68 o   88.138   7.2552   53.661   8.5742   48.163   11.178   61.521   13.364   82.845   9.9566   93.432   10.555 -10.58723 14.51030 
1 1 1   -9   13   69 o   66.900   8.9335   31.638   7.8082   19.320   10.207   49.017   12.124   50.613   14.268   83.186   10.755 -32.57249 17.86698 
1 1 1   -9   13   70 o   63.446   9.7472   35.790   7.9960   15.048   14.653   44.586   9.5420   47.091   17.383   79.801   8.8236 -32.71022 19.49446 
1 1 1   -9   13   71 o   44.594   10.714   13.055   7.0817   18.810   13.572   10.902   8.3014   49.941   16.879   39.247   13.201 10.69436 21.42825 
1 1 1   -9   13   72 o   76.367   9.3844   46.845   8.3574   35.770   15.051   51.783   10.049   66.918   16.661   85.816   8.6413 -18.89748 18.76875 
1 1 1   -9   13   73 o   75.163   9.1172   44.305   8.1916   36.791   14.389   47.908   9.9639   68.017   15.896   82.310   8.9330 -14.29313 18.23443 
1 1 1   -9   13   74 o   71.099   10.133   36.313   9.7628   0.0000   0.0000   36.313   9.7628  ?   ?    71.099   10.133      ?      ? 
1 1 1   -9   13   75 o   34.057   14.958   0.3822   13.294   0.0000   0.0000   0.3822   13.294  ?   ?    34.057   14.958      ?      ? 
1 1 1   -9   13   76 o   75.830   10.594   45.569   10.637   49.566   14.661   41.125   15.458   80.888   13.375   70.771   16.433 10.11698 21.18822 
1 1 1   -9   13   77 o   45.406   11.729   15.652   9.6232   19.609   12.690   10.299   14.762   49.179   16.318   41.633   16.852 7.546021 23.45815 
1 1 1   -9   13   78 o   46.750   11.906   17.353   9.8389   20.971   12.787   12.101   15.405   50.387   16.364   43.112   17.298 7.274998 23.81156 
1 1 1   -9   13   80 o   59.023   12.203   29.492   10.280   24.738   13.342   36.439   16.127   53.784   16.623   64.262   17.870 -10.47810 24.40636 
1 1 1   -9   13   81 o   42.650   11.234   9.8630   9.3083  -0.5191   11.965   25.780   14.815   31.294   13.944   54.006   17.618 -22.71255 22.46821 
1 1 1   -9   13   82 o   60.047   12.009   31.229   10.154   26.360   13.330   37.959   15.674   54.843   16.551   65.251   17.405 -10.40804 24.01828 
1 1 1   -9   13   83 o   64.734   11.739   37.251   10.342   38.915   13.844   35.150   15.559   67.534   15.460   61.935   17.670 5.599361 23.47856 
1 1 1   -9   13   84 o   26.477   12.380  -6.4478   11.040  -6.4478   11.040   0.0000   0.0000   26.477   12.380  ?   ?       ?      ? 
1 1 1   -9   13   85 o   42.519   16.067   15.309   12.667   15.309   12.667   0.0000   0.0000   42.519   16.067  ?   ?       ?      ? 
1 1 1   -9   13   86 o   48.672   16.760   22.522   13.390   22.522   13.390   0.0000   0.0000   48.672   16.760  ?   ?       ?      ? 
1 1 1   -9   13   87 o   23.856   11.538 -12.3902   11.384 -12.3902   11.384   0.0000   0.0000   23.856   11.538  ?   ?       ?      ? 
1 1 1   -9   13   88 o   36.929   15.409   10.427   12.837   10.427   12.837   0.0000   0.0000   36.929   15.409  ?   ?       ?      ? 
1 1 1   -9   14    1 o  319.904   5.1977  695.484   22.518  713.442   31.556  676.853   32.142  324.131   7.1841  315.677   7.5135 8.453735 10.39540 
1 1 1   -9   14    2 o  185.214   4.7432  231.754   11.865  219.903   15.999  246.234   17.686  179.986   6.5596  190.441   6.8530 -10.45505 9.486345 
1 1 1   -9   14    3 o  250.388   4.8636  423.180   16.451  393.884   22.229  458.657   24.463  240.867   6.8102  259.908   6.9454 -19.04108 9.727193 
1 1 1   -9   14    4 o  343.881   5.3813  803.584   25.061  837.006   35.439  770.154   35.444  351.054   7.4494  336.708   7.7680 14.34595 10.76270 
1 1 1   -9   14    5 o  323.978   5.2430  712.457   23.000  703.460   31.803  722.322   33.302  321.848   7.2919  326.109   7.5357 -4.261169 10.48608 
1 1 1   -9   14    6 o  264.031   5.8538  472.874   19.794  471.107   24.283  476.372   34.172  263.423   6.8025  264.639   9.5287 -1.216400 11.70769 
1 1 1   -9   14    7 o  165.089   8.4798  185.235   18.971  185.235   18.971   0.0000   0.0000  165.089   8.4798  ?   ?       ?      ? 
1 1 1   -9   14    8 o  308.430   5.1725  645.996   21.612  644.079   30.139  648.025   31.006  307.968   7.2217  308.892   7.4073 -0.9239197 10.34507 
1 1 1   -9   14    9 o  159.112   4.8188  172.405   10.356  180.550   14.301  163.425   15.015  163.091   6.4706  155.133   7.1424 7.957977 9.637569 
1 1 1   -9   14   10 o  132.183   4.9423  118.453   8.8349  115.890   12.062  121.421   12.977  130.649   6.8128  133.717   7.1617 -3.067322 9.884510 
1 1 1   -9   14   11 o  134.221   7.1864  122.342   13.071   0.0000   0.0000  122.342   13.071  ?   ?   134.221   7.1864      ?      ? 
1 1 1   -9   14   12 o  256.726   5.5094  452.553   16.869  457.987   19.708  437.662   32.623  259.806   5.5976  253.647   9.4910 6.159561 11.01876 
1 1 1   -9   14   13 o  247.118   5.4537  415.540   16.056  416.278   18.698  413.468   31.331  247.693   5.5705  246.543   9.3776 1.150269 10.90733 
1 1 1   -9   14   14 o  140.657   5.2614  128.923   9.0365  122.341   10.553  147.014   17.496  134.270   5.7998  147.044   8.7801 -12.77386 10.52275 
1 1 1   -9   14   15 o  147.305   5.7900  144.372   11.323  133.145   14.401  162.545   18.322  139.995   7.5912  154.615   8.7447 -14.61978 11.57998 
1 1 1   -9   14   16 o  221.023   5.7647  330.348   16.667  325.726   20.921  338.378   27.575  219.003   7.0494  223.043   9.1233 -4.039856 11.52947 
1 1 1   -9   14   17 o  206.418   5.7048  287.398   15.409  281.390   19.319  297.902   25.545  203.553   7.0037  209.283   9.0070 -5.729721 11.40956 
1 1 1   -9   14   18 f  209.946   5.3697  305.384   13.459  312.302   15.777  286.903   25.789  214.539   5.4269  205.354   9.2673 9.185028 10.73936 
1 1 1   -9   14   19 o  266.618   5.5161  478.086   17.507  472.733   20.315  493.539   34.516  263.932   5.6799  269.305   9.4578 -5.372986 11.03226 
1 1 1   -9   14   20 o  128.481   5.6477  110.923   8.8266  109.338   10.365  115.104   16.835  126.917   6.0268  130.045   9.5532 -3.128052 11.29537 
1 1 1   -9   14   21 o  198.012   5.2320  257.745   12.445  248.299   14.431  285.152   24.582  191.282   5.5673  204.742   8.8599 -13.46039 10.46391 
1 1 1   -9   14   22 o  248.184   5.9867  426.119   19.438  449.690   24.872  389.134   31.156  257.285   7.1337  239.082   9.6163 18.20322 11.97346 
1 1 1   -9   14   23 o  276.471   5.7042  527.319   18.845  536.230   22.070  503.338   36.206  281.073   5.7942  271.869   9.8274 9.203278 11.40839 
1 1 1   -9   14   24 o  214.102   5.5937  311.112   16.229  311.112   16.229   0.0000   0.0000  214.102   5.5937  ?   ?       ?      ? 
1 1 1   -9   14   25 o  290.699   7.3834  574.287   29.086  574.287   29.086   0.0000   0.0000  290.699   7.3834  ?   ?       ?      ? 
1 1 1   -9   14   26 o  265.672   5.5872  482.661   17.838  485.933   20.904  473.894   34.218  267.553   5.7654  263.790   9.5722 3.763062 11.17440 
1 1 1   -9   14   27 o  192.302   5.8718  256.899   14.865  278.976   19.400  225.512   23.133  202.624   7.0654  181.980   9.3804 20.64409 11.74357 
1 1 1   -9   14   28 o  179.628   5.2773  215.215   11.574  210.044   13.594  228.843   22.068  175.900   5.7029  183.356   8.8813 -7.455948 10.55468 
1 1 1   -9   14   29 o  175.493   5.2494  205.062   11.301  199.493   13.305  219.482   21.411  171.421   5.7275  179.565   8.7988 -8.144455 10.49875 
1 1 1   -9   14   30 o   74.568   6.9717   36.491   6.7038   33.623   8.1616   42.439   11.754   70.286   8.5688   78.851   11.000 -8.565109 13.94339 
1 1 1   -9   14   31 o   84.858   6.9706   51.791   7.2783   56.442   8.8735   42.228   12.724   91.122   7.1861   78.594   11.946 12.52798 13.94118 
1 1 1   -9   14   32 o  206.925   5.3263  286.952   13.403  281.753   15.723  300.771   25.635  203.707   5.6957  210.143   9.0019 -6.436066 10.65251 
1 1 1   -9   14   33 o  195.801   5.4277  266.362   12.942  273.982   15.379  247.871   23.958  200.876   5.6496  190.727   9.2694 10.14963 10.85543 
1 1 1   -9   14   34 o  227.701   5.5746  366.303   15.426  385.503   18.434  321.440   28.178  238.265   5.7093  217.137   9.5764 21.12840 11.14911 
1 1 1   -9   14   35 f  171.553   5.3482  198.132   11.338  195.222   13.456  205.252   21.052  169.540   5.8568  173.567   8.9504 -4.026230 10.69631 
1 1 1   -9   14   36 o  100.983   6.8626   68.676   9.3313   61.065   12.403   78.602   14.164   94.620   9.6731  107.345   9.7372 -12.72562 13.72526 
1 1 1   -9   14   37 o  184.748   5.9924  237.547   14.573  258.713   19.041  207.612   22.644  195.035   7.2042  174.462   9.5778 20.57259 11.98475 
1 1 1   -9   14   38 o  255.567   5.5713  435.513   17.255  424.722   20.168  464.982   33.329  250.035   5.9523  261.099   9.4196 -11.06363 11.14260 
1 1 1   -9   14   39 o  261.094   5.9839  461.220   20.223  453.746   25.031  475.269   34.318  258.273   7.1519  263.915   9.5957 -5.641724 11.96773 
1 1 1   -9   14   40 o  244.923   6.0447  415.292   19.269  434.111   24.414  384.195   31.382  252.613   7.1317  237.233   9.7618 15.37976 12.08938 
1 1 1   -9   14   41 o  133.406   6.4140  117.853   11.386  103.698   14.516  140.486   18.356  123.336   8.6850  143.476   9.4407 -20.14059 12.82796 
1 1 1   -9   14   42 o  134.404   6.3037  119.407   11.232  106.132   14.203  141.566   18.350  124.790   8.3989  144.018   9.4025 -19.22804 12.60744 
1 1 1   -9   14   43 o  185.224   6.1006  233.728   14.630  233.236   18.176  234.632   24.655  185.120   7.2455  185.329   9.8170 -0.2090302 12.20128 
1 1 1   -9   14   44 o  203.000   4.9350  280.388   13.548  280.795   19.808  280.031   18.571  203.111   7.1967  202.889   6.7545 0.2217712 9.869962 
1 1 1   -9   14   45 o  176.971   4.9909  213.052   11.926  214.464   17.661  211.868   16.168  177.477   7.3433  176.465   6.7612 1.011749 9.981894 
1 1 1   -9   14   46 o  125.352   5.4334  106.219   9.1475  113.124   14.069  101.162   12.040  128.819   8.0592  121.885   7.2894 6.933899 10.86676 
1 1 1   -9   14   47 o   63.688   8.3718   28.395   6.9295   28.160   10.910   28.555   8.9714   62.789   13.239   64.586   10.250 -1.796581 16.74360 
1 1 1   -9   14   48 o   42.261   9.6397   12.104   6.5402   6.0447   10.450   16.005   8.3853   37.115   14.446   47.406   12.767 -10.29128 19.27947 
1 1 1   -9   14   49 o  246.026   5.0540  411.328   16.811  427.212   24.797  397.820   22.868  250.379   7.3084  241.673   6.9827 8.706177 10.10793 
1 1 1   -9   14   50 o  329.803   6.7553  750.812   28.085  727.542   49.449  761.892   34.122  325.358   11.215  334.249   7.5333 -8.891205 13.51062 
1 1 1   -9   14   51 o   76.437   10.490   45.932   8.9306   32.921   18.116   50.109   10.264   67.282   19.022   85.592   8.8496 -18.30958 20.98018 
1 1 1   -9   14   52 o  173.401   6.5175  210.875   13.731  194.625   25.423  217.567   16.315  168.134   11.158  178.669   6.7383 -10.53534 13.03500 
1 1 1   -9   14   53 o  157.605   6.5603  176.333   12.596  156.087   22.940  185.072   15.071  150.461   11.251  164.749   6.7507 -14.28853 13.12063 
1 1 1   -9   14   54 o  136.317   6.7622  133.324   11.177  114.312   20.313  141.579   13.385  128.588   11.657  144.046   6.8569 -15.45770 13.52438 
1 1 1   -9   14   55 o  122.318   5.5018  101.232   9.0404  110.745   13.935   94.318   11.880  127.178   8.0855  117.457   7.4636 9.720306 11.00364 
1 1 1   -9   14   56 o   37.015   9.6592   7.7424   6.2551   7.2237   10.324   8.0433   7.8626   37.835   14.455   36.195   12.816 1.640026 19.31833 
1 1 1   -9   14   57 o  100.737   6.1360   70.173   8.2314   67.194   12.732   72.311   10.789   98.747   9.5148  102.728   7.7505 -3.980766 12.27197 
1 1 1   -9   14   58 o  115.672   5.7554   90.089   8.9261  105.025   13.907   79.625   11.640  123.635   8.3004  107.709   7.9750 15.92641 11.51077 
1 1 1   -9   14   59 o  129.315   6.6699  113.057   11.361  105.622   14.270  125.926   18.774  123.868   8.5011  134.763   10.280 -10.89422 13.33971 
1 1 1   -9   14   60 o   87.571   6.7758   51.722   7.8949   68.014   12.209   40.011   10.350   99.213   9.0805   75.928   10.059 23.28511 13.55163 
1 1 1   -9   14   61 o  117.759   5.6906   94.102   9.0084  107.869   13.838   83.977   11.867  125.092   8.1633  110.426   7.9304 14.66603 11.38112 
1 1 1   -9   14   62 o   90.096   8.1233   56.155   8.9724   59.224   16.882   54.947   10.592   91.107   13.674   89.085   8.7741 2.022163 16.24666 
1 1 1   -9   14   63 o   72.187   11.065   39.584   10.462   35.769   15.720   42.617   14.017   68.399   17.027   75.976   14.135 -7.577507 22.12918 
1 1 1   -9   14   64 o   72.492   7.4409   37.099   7.2551   35.258   10.765   38.631   9.8206   70.652   11.243   74.331   9.7496 -3.678673 14.88187 
1 1 1   -9   14   65 o  104.789   7.0483   79.306   9.6274   87.723   12.501   67.040   15.092  112.411   8.2067   97.168   11.461 15.24283 14.09658 
1 1 1   -9   14   66 o   65.186   9.2309   29.964   7.9402   22.032   10.256   41.833   12.545   53.987   13.926   76.384   12.120 -22.39633 18.46187 
1 1 1   -9   14   67 f   83.356   8.2054   48.807   8.4599   52.313   15.706   47.373   10.041   84.518   13.713   82.193   9.0149 2.325104 16.41080 
1 1 1   -9   14   68 o  116.230   7.0911   97.103   10.093   92.550   18.500   99.033   12.043  113.096   12.071  119.365   7.4449 -6.268959 14.18222 
1 1 1   -9   14   69 o   89.665   9.5433   70.408   9.2743   37.726   16.332   85.962   11.267   68.253   17.558  111.077   7.4852 -42.82397 19.08660 
1 1 1   -9   14   70 o   53.217   10.224   18.770   7.2732   33.548   13.365   12.551   8.6693   65.195   15.377   41.239   13.478 23.95561 20.44764 
1 1 1   -9   14   71 o   32.974   9.6597   3.5886   6.6160   6.1906   11.836   2.4062   7.9788   36.793   15.017   29.154   12.155 7.638552 19.31937 
1 1 1   -9   14   72 o   94.152   12.968   66.309   16.546   0.0000   0.0000   66.309   16.546  ?   ?    94.152   12.968      ?      ? 
1 1 1   -9   14   73 o   73.159   16.235   43.619   15.674   0.0000   0.0000   43.619   15.674  ?   ?    73.159   16.235      ?      ? 
1 1 1   -9   14   74 o   43.165   16.024   13.553   12.487   13.553   12.487   0.0000   0.0000   43.165   16.024  ?   ?       ?      ? 
1 1 1   -9   14   76 o   44.471   11.699   15.060   9.4288   16.192   12.661   13.652   14.128   45.376   16.242   43.567   16.841 1.809246 23.39741 
1 1 1   -9   14   77 o   41.199   10.490   9.9911   9.0432   22.827   11.915  -7.4519   13.889   52.300   15.617   30.097   14.010 22.20298 20.98050 
1 1 1   -9   14   78 o   64.701   11.736   35.749   10.293   33.948   13.800   38.007   15.454   63.260   16.067   66.141   17.112 -2.881657 23.47260 
1 1 1   -9   14   79 o   87.183   10.071   59.182   11.374   44.648   14.888   79.556   17.627   73.034   15.521  101.331   12.837 -28.29688 20.14128 
1 1 1   -9   14   80 o   60.328   11.989   31.820   10.196   26.509   13.500   38.871   15.555   54.672   16.691   65.984   17.215 -11.31225 23.97831 
1 1 1   -9   14   81 o   38.657   10.929   9.3004   9.1913   16.291   12.393   0.7535   13.703   44.073   16.030   33.240   14.859 10.83322 21.85731 
1 1 1   -9   14   82 o   40.169   15.669   12.489   12.316   12.489   12.316   0.0000   0.0000   40.169   15.669  ?   ?       ?      ? 
1 1 1   -9   14   83 o   48.034   16.273   21.232   12.615   21.232   12.615   0.0000   0.0000   48.034   16.273  ?   ?       ?      ? 
1 1 1   -9   14   84 o   26.239   12.384  -7.1467   11.508  -7.1467   11.508   0.0000   0.0000   26.239   12.384  ?   ?       ?      ? 
1 1 1   -9   14   85 o   59.636   16.898   35.025   14.279   35.025   14.279   0.0000   0.0000   59.636   16.898  ?   ?       ?      ? 
1 1 1   -9   14   86 o   46.136   16.859   21.978   13.731   21.978   13.731   0.0000   0.0000   46.136   16.859  ?   ?       ?      ? 
1 1 1   -9   15    1 o  163.163   5.8732  185.844   12.197  196.234   15.120  166.485   20.639  169.980   6.5639  156.345   9.7414 13.63493 11.74648 
1 1 1   -9   15    2 o  277.973   5.9507  523.120   21.726  535.500   35.579  515.758   27.436  280.456   9.3615  275.490   7.3489 4.965881 11.90143 
1 1 1   -9   15    3 o  115.143   5.4316   89.316   8.4372   80.475   11.333  100.311   12.638  108.807   7.6858  121.479   7.6771 -12.67219 10.86321 
1 1 1   -9   15    4 o  249.894   4.8928  422.978   16.535  405.717   22.525  443.149   24.350  244.393   6.8014  255.396   7.0356 -11.00279 9.785650 
1 1 1   -9   15    5 o  264.365   4.9438  475.286   17.693  489.549   24.713  460.289   25.341  268.458   6.7930  260.273   7.1848 8.184937 9.887693 
1 1 1   -9   15    6 o  119.885   5.2412   97.773   8.4836   98.885   11.551   96.471   12.501  120.642   7.0652  119.128   7.7436 1.514191 10.48239 
1 1 1   -9   15    7 o  271.854   4.9983  500.041   18.371  472.135   24.958  533.037   27.139  263.620   6.9863  280.089   7.1501 -16.46933 9.996624 
1 1 1   -9   15    8 o  152.658   4.9498  157.531   10.211  147.777   13.824  169.245   15.148  147.488   6.9164  157.828   7.0826 -10.33958 9.899511 
1 1 1   -9   15    9 o  126.130   5.1924  108.186   8.8371  108.931   11.980  107.296   13.089  126.624   6.9815  125.635   7.6878 0.9894104 10.38481 
1 1 1   -9   15   10 f  170.848   6.3730  202.287   13.684  188.766   24.001  208.800   16.657  166.390   10.644  175.307   7.0114 -8.916687 12.74605 
1 1 1   -9   15   11 o  268.944   6.3886  501.536   21.837  464.960   37.428  520.412   26.888  261.145   10.576  276.743   7.1696 -15.59741 12.77719 
1 1 1   -9   15   12 o  215.061   5.8649  311.427   16.486  302.977   20.611  326.437   27.470  211.153   7.2030  218.968   9.2576 -7.815491 11.72974 
1 1 1   -9   15   13 o  253.449   5.8059  422.989   18.658  399.474   22.413  476.059   33.672  242.492   6.8207  264.406   9.3974 -21.91443 11.61178 
1 1 1   -9   15   14 o   62.018   8.5890   28.657   6.3341   31.150   7.5175   22.555   11.761   67.674   8.1972   56.363   15.096 11.31102 17.17792 
1 1 1   -9   15   15 o  178.684   5.2482  206.807   11.223  196.173   12.947  238.949   22.509  170.000   5.6199  187.367   8.8651 -17.36772 10.49632 
1 1 1   -9   15   16 o  286.371   5.8104  572.628   19.850  590.180   23.314  526.372   37.847  294.839   5.8350  277.904   10.050 16.93539 11.62076 
1 1 1   -9   15   17 o  313.432   5.9378  665.708   22.083  662.826   25.623  674.029   43.539  312.431   6.0520  314.434   10.218 -2.002258 11.87568 
1 1 1   -9   15   18 o  201.548   5.3896  272.668   12.993  268.784   15.106  283.715   25.472  198.984   5.6020  204.111   9.2091 -5.127182 10.77917 
1 1 1   -9   15   19 o  137.947   5.8626  129.206   10.959  129.206   10.959   0.0000   0.0000  137.947   5.8626  ?   ?       ?      ? 
1 1 1   -9   15   20 o  185.103   5.5519  232.595   13.926  232.595   13.926   0.0000   0.0000  185.103   5.5519  ?   ?       ?      ? 
1 1 1   -9   15   21 o  129.964   5.7217  113.590   8.9435  112.073   10.433  117.791   17.367  128.466   5.9931  131.461   9.7485 -2.994751 11.44340 
1 1 1   -9   15   22 f  169.063   5.4115  196.873   11.044  199.975   13.007  188.862   20.907  171.625   5.5928  166.501   9.2659 5.123901 10.82295 
1 1 1   -9   15   23 o   91.465   6.3057   56.436   7.2113   55.596   8.6351   58.373   13.110   90.438   7.0458   92.492   10.460 -2.053986 12.61133 
1 1 1   -9   15   24 o  205.322   5.4038  285.744   13.347  284.587   15.607  288.893   25.750  204.730   5.6254  205.913   9.2281 -1.183136 10.80752 
1 1 1   -9   15   25 o  216.920   5.4443  319.901   14.162  319.688   16.544  320.482   27.395  216.985   5.6264  216.856   9.3223 0.1290436 10.88862 
1 1 1   -9   15   26 o   93.503   6.4537   57.587   7.5512   54.630   8.9768   64.742   13.964   89.626   7.3910   97.381   10.582 -7.754379 12.90745 
1 1 1   -9   15   27 o  107.625   6.1819   79.198   8.1859   79.621   9.7340   78.177   15.128  108.237   6.6364  107.013   10.432 1.224289 12.36390 
1 1 1   -9   15   28 o  216.846   5.9394  322.361   16.907  329.291   21.529  311.209   27.311  220.048   7.2197  213.645   9.4331 6.403336 11.87890 
1 1 1   -9   15   29 o  187.626   5.4564  241.065   12.395  242.966   14.595  236.147   23.479  189.143   5.6940  186.108   9.3096 3.035019 10.91286 
1 1 1   -9   15   30 o  146.279   5.5560  143.418   9.9979  140.439   11.812  150.945   18.776  143.775   6.0624  148.784   9.3125 -5.008820 11.11197 
1 1 1   -9   15   31 o  129.602   6.0259  111.198   10.197  103.169   12.622  126.281   17.300  123.132   7.5645  136.071   9.3821 -12.93961 12.05175 
1 1 1   -9   15   32 o  182.784   9.2669  227.861   22.954   0.0000   0.0000  227.861   22.954  ?   ?   182.784   9.2669      ?      ? 
1 1 1   -9   15   33 o  268.173   7.1095  491.630   25.775  450.654   36.297  533.314   36.609  256.810   10.430  279.537   9.6642 -22.72754 14.21894 
1 1 1   -9   15   34 o  229.196   5.9521  359.425   17.748  363.361   22.257  352.550   29.415  231.111   7.1065  227.280   9.5504 3.831024 11.90427 
1 1 1   -9   15   35 o  185.095   5.9308  234.765   14.350  238.548   18.134  228.426   23.470  187.245   7.1465  182.944   9.4671 4.301102 11.86164 
1 1 1   -9   15   36 o  140.947   5.9999  138.349   10.605  143.595   12.907  127.450   18.604  145.318   6.5542  136.577   10.052 8.740952 11.99984 
1 1 1   -9   15   37 o   72.540   8.6103   36.438   7.7739   35.914   9.5052   37.498   13.510   72.516   9.6726   72.564   14.247 -0.4763794E-01 17.22053 
1 1 1   -9   15   38 o  137.599   6.0389  132.904   10.259  138.924   12.366  119.613   18.376  142.936   6.3844  132.262   10.252 10.67468 12.07773 
1 1 1   -9   15   39 o  211.484   5.9949  304.019   17.181  304.019   17.181   0.0000   0.0000  211.484   5.9949  ?   ?       ?      ? 
1 1 1   -9   15   40 o  174.137   6.2042  206.194   14.641  206.194   14.641   0.0000   0.0000  174.137   6.2042  ?   ?       ?      ? 
1 1 1   -9   15   41 o  235.494   5.7771  385.750   16.568  396.107   19.682  360.565   30.692  241.369   6.0174  229.620   9.8635 11.74861 11.55413 
1 1 1   -9   15   42 o  131.446   6.4123  125.575   10.349  139.009   12.673   98.682   17.931  142.931   6.5429  119.962   11.030 22.96969 12.82453 
1 1 1   -9   15   43 o  185.898   5.6047  233.652   12.923  230.705   15.388  240.702   23.802  184.163   6.1658  187.633   9.3611 -3.469879 11.20931 
1 1 1   -9   15   44 o  139.455   5.3348  132.195   10.041  136.710   14.985  128.516   13.528  141.579   7.8104  137.331   7.2690 4.248428 10.66964 
1 1 1   -9   15   45 o  101.496   7.5206   67.514   9.2541   77.903   18.153   63.866   10.757  106.274   12.605   96.718   8.2071 9.556427 15.04129 
1 1 1   -9   15   46 o  117.961   7.0945   94.140   10.159   98.313   19.446   92.574   11.914  119.430   12.015  116.492   7.5473 2.938416 14.18898 
1 1 1   -9   15   47 f  128.025   6.8299  110.773   10.563  115.918   20.388  108.886   12.350  129.697   11.600  126.353   7.2129 3.344772 13.65988 
1 1 1   -9   15   48 o  160.168   5.1795  175.998   11.137  167.590   16.706  182.723   14.941  156.618   7.8712  163.718   6.7344 -7.099854 10.35894 
1 1 1   -9   15   49 o   77.843   7.1676   40.245   7.4239   52.488   11.739   32.085   9.5838   87.398   9.9117   68.288   10.356 19.10919 14.33514 
1 1 1   -9   15   50 o  153.688   6.6482  172.017   12.360  139.135   22.144  186.895   14.896  141.856   11.519  165.520   6.6408 -23.66475 13.29641 
1 1 1   -9   15   51 o  122.078   6.8830  103.758   10.273   99.702   19.020  105.429   12.207  119.955   11.701  124.201   7.2525 -4.245682 13.76597 
1 1 1   -9   15   52 o   95.591   6.5842   65.718   8.1351   49.004   12.397   78.359   10.781   84.166   10.869  107.017   7.4340 -22.85025 13.16843 
1 1 1   -9   15   53 o   39.057   9.1674   9.0803   7.2569 -21.5123   15.299   17.963   8.2433   28.298   13.608   49.815   12.288 -21.51772 18.33481 
1 1 1   -9   15   54 o  113.613   5.7931   86.475   8.8063  104.303   13.824   74.298   11.424  123.209   8.2795  104.017   8.1048 19.19115 11.58613 
1 1 1   -9   15   55 o  105.342   5.9519   75.561   8.4237   82.385   12.972   70.584   11.077  109.345   8.7540  101.339   8.0663 8.006332 11.90372 
1 1 1   -9   15   56 o   83.622   8.1928   48.223   9.1168   45.515   11.697   52.414   14.552   80.869   10.673   86.374   12.433 -5.505363 16.38567 
1 1 1   -9   15   57 o   49.025   10.821   16.437   7.9937   11.967   10.414   22.850   12.472   42.545   14.773   55.505   15.815 -12.96069 21.64158 
1 1 1   -9   15   58 o   48.732   9.2526   18.206   6.5407   10.064   10.347   23.625   8.4411   40.340   14.651   57.125   11.304 -16.78513 18.50517 
1 1 1   -9   15   59 o   94.715   6.2235   60.831   7.8860   71.170   12.424   53.854   10.206  101.243   9.0554   88.188   8.5398 13.05567 12.44698 
1 1 1   -9   15   60 o   61.048   8.5128   25.278   6.7999   37.138   11.106   18.165   8.6006   72.539   11.298   49.558   12.737 22.98048 17.02554 
1 1 1   -9   15   61 o  122.551   5.6322  105.400   9.2229   91.711   13.590  117.087   12.557  114.805   8.7354  130.297   7.1118 -15.49198 11.26431 
1 1 1   -9   15   62 o  136.462   6.3092  127.168   11.403  117.404   14.444  143.321   18.578  129.975   8.2005  142.949   9.5904 -12.97443 12.61840 
1 1 1   -9   15   63 o  111.990   6.9499   90.951   10.145  101.095   13.203   76.328   15.852  120.536   8.0828  103.445   11.308 17.09096 13.89985 
1 1 1   -9   15   64 f   56.782   9.0998   24.086   6.7996   25.844   10.305   22.730   9.0490   58.475   13.304   55.089   12.418 3.386383 18.19959 
1 1 1   -9   15   65 o   65.016   9.8220   34.405   7.7091   25.697   14.639   37.747   9.0685   56.847   17.386   73.184   9.1440 -16.33685 19.64395 
1 1 1   -9   15   66 f   22.457   7.6953 -11.2381   6.2735 -17.5622   12.503  -9.1100   7.2527   25.006   12.093   19.908   9.5194 5.097773 15.39064 
1 1 1   -9   15   67 o   40.474   9.9904   11.967   6.9778   3.0837   13.088   15.494   8.2476   35.853   15.288   45.095   12.865 -9.241619 19.98090 
1 1 1   -9   15   68 o   46.324   11.740   15.973   9.3618   14.616   13.032   17.420   13.458   44.924   16.423   47.724   16.781 -2.800301 23.48007 
1 1 1   -9   15   69 o   53.742   17.043   23.658   13.932   0.0000   0.0000   23.658   13.932  ?   ?    53.742   17.043      ?      ? 
1 1 1   -9   15   71 o   40.303   16.204   9.5346   13.550   0.0000   0.0000   9.5346   13.550  ?   ?    40.303   16.204      ?      ? 
1 1 1   -9   15   72 o   67.765   11.184   37.680   10.110   32.837   13.989   42.976   14.627   62.712   16.308   72.819   15.308 -10.10705 22.36706 
1 1 1   -9   15   73 o   33.410   10.212   2.2891   8.4780   3.3202   11.681   1.1412   12.325   33.808   14.430   33.012   14.453 0.7963524 20.42323 
1 1 1   -9   15   74 f   66.796   10.732   35.615   10.128   20.008   13.578   55.184   15.205   48.988   16.877   84.605   13.262 -35.61734 21.46390 
1 1 1   -9   15   75 o   76.119   10.827   47.663   10.759   47.012   14.700   48.414   15.790   75.983   14.809   76.256   15.800 -0.2731171 21.65485 
1 1 1   -9   15   76 o   41.949   10.235   9.2683   9.0842   26.920   12.409 -11.1168   13.335   56.209   15.692   27.688   13.145 28.52095 20.47017 
1 1 1   -9   15   77 o   55.062   11.758   26.140   9.5420   20.822   12.656   33.146   14.525   49.062   16.297   61.062   16.952 -12.00042 23.51523 
1 1 1   -9   15   78 o   25.686   8.6549 -10.3322   8.1314 -11.4576   10.575  -8.7048   12.718   23.731   11.386   27.642   13.038 -3.911074 17.30979 
1 1 1   -9   15   79 o   31.126   9.8857  -0.3508   8.6265  -1.8747   11.544   1.5760   12.981   29.414   13.349   32.837   14.584 -3.422606 19.77135 
1 1 1   -9   15   80 o   30.035   13.512  -0.3651   11.530  -0.3651   11.530   0.0000   0.0000   30.035   13.512  ?   ?       ?      ? 
1 1 1   -9   15   81 o   38.707   15.333   11.776   11.952   11.776   11.952   0.0000   0.0000   38.707   15.333  ?   ?       ?      ? 
1 1 1   -9   15   82 o   47.016   16.615   21.533   13.208   21.533   13.208   0.0000   0.0000   47.016   16.615  ?   ?       ?      ? 
1 1 1   -9   15   83 o   39.350   15.861   13.567   13.018   13.567   13.018   0.0000   0.0000   39.350   15.861  ?   ?       ?      ? 
1 1 1   -9   15   84 o   32.393   14.405   4.4473   12.702   4.4473   12.702   0.0000   0.0000   32.393   14.405  ?   ?       ?      ? 
1 1 1   -9   16    1 o  319.890   5.3066  695.685   22.981  689.117   31.742  702.921   33.317  318.327   7.3582  321.452   7.6483 -3.125183 10.61320 
1 1 1   -9   16    2 o  174.081   4.9368  204.798   11.599  193.273   15.574  219.153   17.381  168.627   6.8153  179.535   7.1442 -10.90762 9.873600 
1 1 1   -9   16    3 o  152.072   5.1047  156.348   10.489  142.352   14.254  172.877   15.490  144.688   7.2696  159.456   7.1684 -14.76759 10.20947 
1 1 1   -9   16    4 o  210.991   6.0851  297.378   16.391  320.213   28.915  286.565   19.897  216.684   9.8471  205.299   7.1518 11.38470 12.17019 
1 1 1   -9   16    5 o  203.108   6.2104  282.333   16.084  276.904   27.812  285.061   19.716  201.452   10.188  204.764   7.1053 -3.311768 12.42076 
1 1 1   -9   16    6 o  168.415   6.3189  192.540   13.556  195.217   23.687  191.237   16.530  169.130   10.335  167.701   7.2738 1.429489 12.63788 
1 1 1   -9   16    7 o  167.856   5.0295  190.609   11.396  181.427   15.322  201.976   17.048  163.370   6.9208  172.342   7.2996 -8.972397 10.05892 
1 1 1   -9   16    8 o  317.573   5.3294  686.128   22.917  689.906   31.826  682.060   33.025  318.507   7.3737  316.639   7.6965 1.868378 10.65871 
1 1 1   -9   16    9 o  234.447   5.0148  373.764   15.914  374.951   21.997  372.461   23.051  234.858   6.9115  234.037   7.2680 0.8212738 10.02961 
1 1 1   -9   16   10 o  197.225   5.0168  264.397   13.387  263.252   18.409  265.681   19.504  196.790   6.9031  197.660   7.2815 -0.8697205 10.03360 
1 1 1   -9   16   11 o  140.305   5.8966  133.994   11.098  134.200   16.944  133.840   14.688  140.352   8.9087  140.258   7.7276 0.9402466E-01 11.79322 
1 1 1   -9   16   12 o  207.554   5.7810  287.260   15.297  276.271   18.535  310.731   27.088  201.605   6.7843  213.503   9.3623 -11.89804 11.56200 
1 1 1   -9   16   13 o  303.728   10.254  629.634   42.204   0.0000   0.0000  629.634   42.204  ?   ?   303.728   10.254      ?      ? 
1 1 1   -9   16   14 o  205.074   6.6325  285.832   18.432  285.832   18.432   0.0000   0.0000  205.074   6.6325  ?   ?       ?      ? 
1 1 1   -9   16   15 o  186.449   6.7063  236.294   16.944  236.294   16.944   0.0000   0.0000  186.449   6.7063  ?   ?       ?      ? 
1 1 1   -9   16   16 o  237.187   6.0343  381.704   18.006  379.253   21.714  387.099   32.216  236.198   6.7838  238.175   9.9814 -1.977127 12.06851 
1 1 1   -9   16   17 o  207.445   5.7558  285.117   15.226  270.844   18.411  316.007   27.085  199.599   6.8066  215.292   9.2837 -15.69234 11.51165 
1 1 1   -9   16   18 o  137.673   5.9401  124.294   10.518  114.866   12.773  144.153   18.538  129.954   7.2531  145.392   9.4090 -15.43790 11.88010 
1 1 1   -9   16   19 o  229.479   5.8555  362.578   17.214  371.236   21.281  346.189   29.279  233.683   6.7202  225.276   9.5910 8.407608 11.71101 
1 1 1   -9   16   20 o  155.813   5.5336  163.651   10.510  161.629   12.366  168.913   19.948  154.247   5.9161  157.378   9.3533 -3.130768 11.06727 
1 1 1   -9   16   21 o  129.830   5.8316  115.773   9.1659  117.007   10.800  112.598   17.330  131.228   6.0733  128.432   9.9571 2.795975 11.66319 
1 1 1   -9   16   22 o   96.066   6.3975   62.782   7.5923   62.581   9.0351   63.264   14.005   95.928   6.9503   96.205   10.743 -0.2774506 12.79495 
1 1 1   -9   16   23 o  114.144   6.3258   91.885   8.6790   95.826   10.275   82.071   16.214  118.736   6.3858  109.552   10.922 9.183533 12.65169 
1 1 1   -9   16   24 o  154.844   5.4731  151.630   10.275  138.886   11.876  189.566   20.490  142.960   6.1301  166.727   9.0688 -23.76776 10.94626 
1 1 1   -9   16   25 f  165.177   5.5484  180.725   11.132  174.715   13.006  197.189   21.527  160.350   5.9855  170.004   9.3442 -9.654129 11.09684 
1 1 1   -9   16   26 o   49.637   9.7735   18.680   7.1779   24.199   8.7655   7.4453   12.506   58.464   11.474   40.809   15.825 17.65520 19.54703 
1 1 1   -9   16   27 o  196.683   5.6865  272.553   13.584  285.180   16.199  242.629   24.937  204.869   5.8347  188.496   9.7623 16.37320 11.37308 
1 1 1   -9   16   28 o  202.096   6.0581  277.505   16.172  274.331   20.626  282.571   26.056  200.734   7.5823  203.458   9.4505 -2.723602 12.11625 
1 1 1   -9   16   29 o  174.226   6.0457  200.057   13.919  178.064   17.492  238.031   22.985  161.674   7.9838  186.779   9.0809 -25.10440 12.09141 
1 1 1   -9   16   30 f  141.836   5.9215  138.428   10.342  140.297   12.332  133.999   18.987  143.647   6.3349  140.025   10.006 3.622040 11.84302 
1 1 1   -9   16   31 o  140.679   5.8771  134.769   10.142  134.577   12.016  135.247   18.914  140.686   6.3027  140.673   9.9215 0.1225281E-01 11.75417 
1 1 1   -9   16   32 o   69.602   8.6484   31.660   7.5197   27.765   9.0327   40.454   13.573   63.701   10.464   75.504   13.773 -11.80324 17.29687 
1 1 1   -9   16   33 o  242.243   5.6535  390.988   16.550  380.581   19.304  419.852   32.150  236.604   6.0208  247.882   9.5708 -11.27762 11.30706 
1 1 1   -9   16   34 o  290.090   6.0335  589.945   21.129  610.582   25.022  538.667   39.442  299.651   6.1620  280.530   10.375 19.12079 12.06701 
1 1 1   -9   16   35 o  186.619   5.6558  234.777   12.908  231.316   15.213  243.674   24.394  184.435   6.0868  188.803   9.5343 -4.368210 11.31158 
1 1 1   -9   16   36 o  137.348   6.5657  128.376   12.220  128.376   12.220   0.0000   0.0000  137.348   6.5657  ?   ?       ?      ? 
1 1 1   -9   16   37 o  197.337   5.7710  258.940   13.682  251.435   15.896  280.391   26.875  192.262   6.1013  202.413   9.7976 -10.15050 11.54208 
1 1 1   -9   16   38 o  226.095   6.1122  351.789   18.098  359.808   22.977  338.682   29.375  229.762   7.3796  222.429   9.7455 7.333481 12.22430 
1 1 1   -9   16   39 o  182.376   9.6562  227.745   23.865   0.0000   0.0000  227.745   23.865  ?   ?   182.376   9.6562      ?      ? 
1 1 1   -9   16   40 o  146.253   6.3979  145.244   12.452  140.773   16.045  152.017   19.746  143.562   8.2473  148.943   9.7833 -5.380981 12.79575 
1 1 1   -9   16   41 o   98.334   7.9663   64.644   10.092   40.694   13.179   98.594   15.691   76.734   12.674  119.934   9.6546 -43.19987 15.93264 
1 1 1   -9   16   42 o  195.416   5.8008  267.260   13.957  276.715   16.744  245.741   25.261  201.592   6.1294  189.241   9.8503 12.35060 11.60159 
1 1 1   -9   16   43 o  198.976   5.7048  270.760   13.999  270.874   16.658  270.486   25.831  199.418   6.1641  198.534   9.6013 0.8843536 11.40966 
1 1 1   -9   16   44 o  151.922   6.0375  162.076   11.445  169.044   13.899  147.401   20.169  157.460   6.5136  146.383   10.168 11.07698 12.07508 
1 1 1   -9   16   45 o  156.973   6.0192  176.782   11.660  190.419   14.193  148.467   20.450  167.128   6.2666  146.818   10.279 20.30980 12.03834 
1 1 1   -9   16   46 o  108.269   6.5494   78.356   9.1273   73.863   11.132   87.573   15.943  103.870   7.9088  112.669   10.442 -8.799461 13.09876 
1 1 1   -9   16   47 o   61.874   10.389   27.844   8.5977   24.413   11.875   31.624   12.464   57.815   15.021   65.933   14.357 -8.118587 20.77853 
1 1 1   -9   16   48 o   96.260   7.0587   63.822   8.9026   63.405   11.229   64.529   14.608   96.062   8.6258   96.457   11.176 -0.3951645 14.11732 
1 1 1   -9   16   49 o   88.424   6.5588   53.490   7.7503   56.314   12.131   51.542   10.074   90.274   9.9164   86.575   8.5870 3.698288 13.11762 
1 1 1   -9   16   50 o   92.218   6.6484   61.178   7.9432   47.064   12.196   71.576   10.468   82.286   10.937  102.151   7.5619 -19.86472 13.29682 
1 1 1   -9   16   51 o   83.028   6.8565   47.516   7.5887   48.881   11.919   46.585   9.8414   83.876   10.486   82.179   8.8372 1.697571 13.71307 
1 1 1   -9   16   52 o   59.183   8.8949   25.647   6.7382   24.718   10.991   26.206   8.5289   57.881   14.135   60.484   10.802 -2.602703 17.78983 
1 1 1   -9   16   53 o  128.042   6.6261  112.789   11.258  109.387   14.428  118.084   18.002  125.865   8.4591  130.220   10.201 -4.354912 13.25220 
1 1 1   -9   16   54 f  166.500   5.1953  191.664   11.653  179.958   17.097  201.820   15.925  161.565   7.8087  171.435   6.8547 -9.870605 10.39055 
1 1 1   -9   16   55 o  105.740   5.9693   77.849   8.4172   74.836   12.969   80.041   11.064  103.742   9.2250  107.738   7.5782 -3.995506 11.93858 
1 1 1   -9   16   56 o   57.739   8.8086   26.331   6.7541   15.229   10.750   33.571   8.6817   46.061   15.006   69.416   9.2291 -23.35525 17.61717 
1 1 1   -9   16   57 o  111.086   5.7979   86.292   8.5983   81.151   13.106   90.177   11.393  107.905   8.9628  114.267   7.3574 -6.362320 11.59588 
1 1 1   -9   16   58 o   72.304   9.1783   39.807   8.4933   48.367   11.404   29.145   12.727   82.867   10.155   61.740   15.292 21.12715 18.35659 
1 1 1   -9   16   59 o   66.322   9.4403   35.309   8.2507   48.622   11.023   18.345   12.442   83.087   9.7896   49.557   16.144 33.52993 18.88059 
1 1 1   -9   16   60 o   59.753   9.9569   27.537   7.9288   30.246   10.641   24.154   11.889   63.602   12.789   55.904   15.265 7.698765 19.91378 
1 1 1   -9   16   61 o   95.414   6.1823   63.665   7.9613   66.718   11.904   61.194   10.709   97.367   9.0220   93.461   8.4551 3.906059 12.36468 
1 1 1   -9   16   62 o   80.518   8.3707   43.312   8.2973   56.591   16.166   38.562   9.6679   87.334   13.659   73.702   9.6799 13.63266 16.74148 
1 1 1   -9   16   63 o   39.873   8.8286   10.820   7.1081 -15.0070   13.379   20.978   8.3902   27.060   12.937   52.685   12.018 -25.62502 17.65724 
1 1 1   -9   16   64 f   73.473   9.4663   42.914   8.1678   36.019   15.030   45.804   9.7298   66.560   16.693   80.386   8.9319 -13.82550 18.93262 
1 1 1   -9   16   65 o   25.302   8.3716  -6.2779   6.5901 -11.3804   12.449  -4.2915   7.7677   27.081   12.811   23.524   10.780 3.556974 16.74329 
1 1 1   -9   16   66 o   67.152   14.494   35.628   12.803   0.0000   0.0000   35.628   12.803  ?   ?    67.152   14.494      ?      ? 
1 1 1   -9   16   67 o   65.485   16.418   35.452   14.543   0.0000   0.0000   35.452   14.543  ?   ?    65.485   16.418      ?      ? 
1 1 1   -9   16   68 o   59.092   11.806   29.408   10.065   23.065   14.330   35.584   14.140   52.510   17.337   65.675   16.029 -13.16429 23.61099 
1 1 1   -9   16   69 o   64.649   10.805   34.322   10.200   17.658   14.347   51.352   14.504   47.202   17.235   82.096   13.037 -34.89391 21.61069 
1 1 1   -9   16   70 f   48.334   11.339   18.472   9.2140   27.345   13.064   9.6878   12.998   56.983   16.168   39.684   15.901 17.29884 22.67718 
1 1 1   -9   16   71 o   28.209   9.2266  -5.9872   8.3279  -4.3176   11.424  -7.8804   12.165   28.622   13.100   27.796   12.996 0.8256454 18.45315 
1 1 1   -9   16   72 o   51.606   11.780   22.639   9.4184   19.196   12.891   26.580   13.794   47.904   16.448   55.307   16.869 -7.403301 23.56052 
1 1 1   -9   16   73 o   57.423   11.634   28.761   9.5437   30.499   13.207   26.862   13.807   59.581   16.013   55.265   16.882 4.316563 23.26844 
1 1 1   -9   16   74 o   44.241   11.562   15.969   9.1758   14.890   12.765   17.124   13.199   43.175   16.168   45.306   16.533 -2.131283 23.12438 
1 1 1   -9   16   75 o   41.165   11.313   12.957   9.1183   15.072   12.270   10.347   13.627   42.920   15.894   39.410   16.102 3.510258 22.62516 
1 1 1   -9   16   76 o   33.421   10.306   3.3484   8.7962   4.7643   11.882   1.6314   13.084   33.903   14.514   32.939   14.635 0.9639854 20.61226 
1 1 1   -9   16   77 o   53.946   11.649   26.520   9.5419   19.219   12.967   35.142   14.092   46.051   16.442   61.841   16.507 -15.78996 23.29873 
1 1 1   -9   16   78 o   41.120   15.843   14.420   12.471   14.420   12.471   0.0000   0.0000   41.120   15.843  ?   ?       ?      ? 
1 1 1   -9   16   79 o   38.561   15.442   12.050   12.251   12.050   12.251   0.0000   0.0000   38.561   15.442  ?   ?       ?      ? 
1 1 1   -9   16   80 o   30.198   13.605   1.1179   11.737   1.1179   11.737   0.0000   0.0000   30.198   13.605  ?   ?       ?      ? 
1 1 1   -9   16   81 o   41.123   15.939   16.436   12.682   16.436   12.682   0.0000   0.0000   41.123   15.939  ?   ?       ?      ? 
1 1 1   -9   17    1 o  223.516   6.1227  346.624   17.469  359.678   21.603  321.960   29.694  229.948   6.9326  217.083   10.094 12.86533 12.24540 
1 1 1   -9   17    2 f  150.881   6.2681  152.743   12.213  147.309   15.011  163.384   21.005  147.108   7.5302  154.653   10.023 -7.544830 12.53625 
1 1 1   -9   17    3 o   97.495   7.3841   60.597   9.3860   49.516   11.514   82.549   16.206   85.142   9.9791  109.849   10.886 -24.70702 14.76814 
1 1 1   -9   17    4 o  135.710   6.4954  125.903   11.319  126.465   13.957  124.824   19.349  136.302   7.5563  135.117   10.567 1.185059 12.99082 
1 1 1   -9   17    5 o  139.320   6.2130  126.798   11.220  114.736   13.713  151.231   19.517  129.809   7.7953  148.832   9.6766 -19.02333 12.42592 
1 1 1   -9   17    6 o   92.158   7.7277   62.769   8.4825   90.690   11.879   33.720   12.117  115.422   7.5948   68.895   13.461 46.52606 15.45548 
1 1 1   -9   17    7 o  145.001   5.4634  143.074   10.718  141.829   14.709  144.484   15.648  144.347   7.5197  145.655   7.9278 -1.307861 10.92684 
1 1 1   -9   17    8 o  226.699   6.6214  346.254   18.287  340.657   21.492  360.936   34.811  223.766   7.0876  229.632   11.187 -5.865891 13.24286 
1 1 1   -9   17    9 o  204.079   6.8377  296.982   16.914  315.016   20.234  255.158   30.815  215.197   6.9385  192.962   11.784 22.23434 13.67540 
1 1 1   -9   17   10 o  147.572   7.6220  160.640   13.066  174.307   15.398  125.490   24.694  160.060   7.0990  135.084   13.490 24.97591 15.24392 
1 1 1   -9   17   11 o  113.465   6.1147   89.036   9.2299  106.930   12.936   70.477   13.174  125.325   7.6168  101.605   9.5677 23.71999 12.22931 
1 1 1   -9   17   12 o  181.012   5.8096  228.954   12.447  235.378   14.549  211.410   24.042  186.126   5.7682  175.898   10.086 10.22806 11.61911 
1 1 1   -9   17   13 o  113.218   6.6781   92.013   8.9557   97.538   10.571   77.968   16.855  119.769   6.5134  106.668   11.660 13.10076 13.35614 
1 1 1   -9   17   14 o   89.669   6.9510   49.332   7.7081   42.333   8.9646   69.181   15.097   78.811   8.3939  100.528   11.082 -21.71787 13.90208 
1 1 1   -9   17   15 f  104.649   6.4665   73.367   8.2207   71.713   9.6292   77.812   15.787  102.670   6.9209  106.627   10.925 -3.957298 12.93308 
1 1 1   -9   17   16 o  215.317   6.0031  312.314   16.922  302.098   21.178  330.351   28.140  210.660   7.4187  219.973   9.4400 -9.313309 12.00625 
1 1 1   -9   17   17 o  193.330   5.5642  249.191   12.901  243.216   14.990  266.265   25.339  189.184   5.8469  197.477   9.4686 -8.292892 11.12837 
1 1 1   -9   17   18 o  107.920   6.6402   81.767   8.5728   84.522   10.096   74.646   16.231  111.473   6.6833  104.367   11.476 7.106239 13.28046 
1 1 1   -9   17   19 o  112.468   6.8174   93.993   8.9151  103.227   10.555   71.006   16.653  123.215   6.3214  101.721   12.081 21.49366 13.63474 
1 1 1   -9   17   20 o  133.772   6.0426  122.966   9.6932  124.062   11.353  120.017   18.618  135.084   6.2020  132.460   10.372 2.624283 12.08511 
1 1 1   -9   17   21 o  212.389   5.6047  305.294   14.252  302.959   16.606  311.822   27.764  211.135   5.8041  213.644   9.5897 -2.509491 11.20933 
1 1 1   -9   17   22 o   86.862   9.1517   68.183   8.2485   88.307   10.005   25.476   14.575  113.944   6.4794   59.780   17.118 54.16436 18.30348 
1 1 1   -9   17   23 o   82.139   8.2365   50.606   7.8073   55.877   9.3886   38.791   14.057   90.566   7.6498   73.711   14.589 16.85458 16.47303 
1 1 1   -9   17   24 o  171.349   6.2885  203.437   14.217  215.512   18.463  185.850   22.282  177.853   7.6606  164.846   9.9747 13.00739 12.57694 
1 1 1   -9   17   25 o  157.303   7.4780  169.678   15.762  167.970   24.092  170.957   20.841  156.481   11.361  158.125   9.7263 -1.644333 14.95601 
1 1 1   -9   17   26 f  106.485   7.1549   78.946   9.8590   82.514   12.404   72.825   16.246  109.981   8.3229  102.990   11.640 6.990959 14.30979 
1 1 1   -9   17   27 o   99.480   7.4520   68.353   9.6671   69.925   12.203   65.706   15.840  101.185   8.8996   97.775   11.955 3.410088 14.90403 
1 1 1   -9   17   28 o  187.177   6.0378  238.645   14.641  237.381   18.189  240.971   24.674  186.678   7.1901  187.676   9.7017 -0.9985809 12.07566 
1 1 1   -9   17   29 o  171.354   6.2182  202.988   13.845  209.581   17.439  191.749   22.768  175.374   7.3381  167.334   10.041 8.039612 12.43633 
1 1 1   -9   17   30 o  124.314   6.7937  108.024   10.958  114.536   13.896   97.316   17.819  129.574   7.9137  119.054   11.045 10.51918 13.58734 
1 1 1   -9   17   31 o  147.791   6.3708  143.712   12.292  129.881   15.164  170.212   20.990  137.941   8.1122  157.642   9.8254 -19.70097 12.74150 
1 1 1   -9   17   32 o  153.245   6.3250  159.861   13.135  159.861   13.135   0.0000   0.0000  153.245   6.3250  ?   ?       ?      ? 
1 1 1   -9   17   33 o  119.181   6.5417   94.510   9.3799   91.456   10.901  103.224   18.411  115.842   6.9439  122.520   11.089 -6.678040 13.08349 
1 1 1   -9   17   34 o  119.432   6.4344  100.881   9.3678  105.538   11.201   90.039   17.089  124.459   6.6410  114.405   11.023 10.05462 12.86876 
1 1 1   -9   17   35 o   95.215   6.9279   58.967   8.2937   54.070   9.8450   70.939   15.392   88.941   8.1683  101.489   11.192 -12.54734 13.85572 
1 1 1   -9   17   36 o   92.420   7.2243   58.420   8.3556   57.963   10.035   59.455   15.089   92.082   8.0416   92.759   12.004 -0.6767960 14.44857 
1 1 1   -9   17   37 o  111.469   6.8505   89.899   9.3473   97.410   11.340   73.978   16.509  119.479   7.0038  103.459   11.776 16.02043 13.70104 
1 1 1   -9   17   38 o  129.603   6.0262  111.632   9.7654  106.498   11.617  123.997   18.030  124.924   6.8622  134.282   9.9081 -9.357491 12.05239 
1 1 1   -9   17   39 o  124.522   6.9329  109.189   11.385  121.656   15.072   92.622   17.374  133.256   8.3462  115.789   11.073 17.46724 13.86582 
1 1 1   -9   17   40 o  117.181   6.3416   91.423   9.2809   87.163   11.030  101.750   17.174  112.927   7.2079  121.435   10.436 -8.508026 12.68318 
1 1 1   -9   17   41 o   40.975   10.347   10.074   6.9528   9.4916   8.5112   11.242   12.055   38.559   13.357   43.391   15.805 -4.832417 20.69361 
1 1 1   -9   17   42 o   87.131   7.3207   51.003   8.1553   48.226   9.8840   56.928   14.435   83.771   8.7068   90.491   11.771 -6.720329 14.64133 
1 1 1   -9   17   43 o   61.359   10.513   28.043   8.8473   36.112   12.263   19.283   12.777   70.726   13.283   51.992   16.300 18.73357 21.02636 
1 1 1   -9   17   44 o   81.498   9.0838   46.769   9.5437   33.676   12.843   62.915   14.262   67.856   14.412   95.141   11.062 -27.28515 18.16761 
1 1 1   -9   17   45 o  115.134   6.3841   87.034   9.4360   78.598   11.404  105.350   16.803  106.965   7.8674  123.304   10.056 -16.33888 12.76812 
1 1 1   -9   17   46 o   77.720   8.4775   44.158   8.1369   47.027   10.131   38.943   13.659   82.507   9.0608   72.933   14.331 9.574600 16.95499 
1 1 1   -9   17   47 o   39.366   10.184   9.2833   6.9252   9.4012   8.7159   9.0813   11.405   38.362   13.503   40.370   15.248 -2.008476 20.36755 
1 1 1   -9   17   48 o   56.599   9.7339   22.176   7.1898   17.831   8.9159   30.254   12.158   49.290   13.117   63.909   14.385 -14.61871 19.46790 
1 1 1   -9   17   49 o   44.147   9.1230   13.729   7.2086   24.252   9.0621  -4.4018   11.896   57.669   11.987   30.625   13.756 27.04402 18.24602 
1 1 1   -9   17   50 o   76.841   9.4797   41.115   9.8712   41.115   9.8712   0.0000   0.0000   76.841   9.4797  ?   ?       ?      ? 
1 1 1   -9   17   51 o   54.785   9.3057   23.783   7.1778   30.687   9.0775   12.264   11.725   66.192   10.120   43.378   15.620 22.81384 18.61147 
1 1 1   -9   17   52 o   55.358   8.9337   25.334   7.1789   36.080   9.0987   7.6109   11.685   71.880   9.3409   38.836   15.231 33.04317 17.86734 
1 1 1   -9   17   53 o   92.557   6.7347   55.946   8.0824   46.844   9.8335   74.898   14.190   81.951   8.8546  103.163   10.150 -21.21172 13.46939 
1 1 1   -9   17   54 o   72.222   8.8655   38.991   8.2389   43.623   10.917   32.862   12.557   78.601   10.250   65.842   14.468 12.75874 17.73101 
1 1 1   -9   17   55 o   57.667   9.8426   25.211   7.5353   25.002   9.8935   25.499   11.629   57.697   12.969   57.636   14.809 0.6050491E-01 19.68521 
1 1 1   -9   17   56 o   29.355   8.6354   1.1075   5.7459   5.9526   8.8690  -2.3971   7.5430   34.034   13.291   24.677   11.028 9.357401 17.27078 
1 1 1   -9   17   57 o   45.338   9.4889   14.996   6.2134   19.173   9.6788   12.067   8.1036   50.056   13.816   40.620   13.010 9.435650 18.97784 
1 1 1   -9   17   58 o   41.060   8.9647   12.576   5.8750   6.0074   9.0159   17.424   7.7452   34.056   13.372   48.064   11.944 -14.00875 17.92933 
1 1 1   -9   17   59 o   45.915   10.565   14.897   6.8215   18.897   13.557   13.540   7.8937   49.440   16.868   42.390   12.724 7.050446 21.12929 
1 1 1   -9   17   60 o   47.152   9.4432   19.218   7.2260   0.8676   13.924   25.982   8.4535   35.185   15.384   59.119   10.955 -23.93309 18.88630 
1 1 1   -9   17   61 o   69.040   9.9243   31.012   9.7317   71.919   16.589   9.5478   12.017   98.458   12.433   39.622   15.472 58.83616 19.84855 
1 1 1   -9   17   62 o   23.979   10.860  -3.0847   7.5912   0.0000   0.0000  -3.0847   7.5912  ?   ?    23.979   10.860      ?      ? 
1 1 1   -9   17   63 o   73.344   9.3685   38.597   9.3114   0.0000   0.0000   38.597   9.3114  ?   ?    73.344   9.3685      ?      ? 
1 1 1   -9   17   64 o   65.618   15.599   35.178   13.667   0.0000   0.0000   35.178   13.667  ?   ?    65.618   15.599      ?      ? 
1 1 1   -9   17   65 f   35.772   10.685   4.5031   8.9986   0.6976   13.357   7.6656   12.177   33.903   14.939   37.641   15.281 -3.738235 21.37007 
1 1 1   -9   17   66 o   44.454   11.355   14.215   9.2756   22.735   13.247   6.0209   12.992   51.984   16.633   36.925   15.462 15.05884 22.70998 
1 1 1   -9   17   67 o   26.838   8.8677  -9.0918   8.2306 -17.0584   12.116  -2.2642   11.216   24.135   11.727   29.541   13.305 -5.405243 17.73541 
1 1 1   -9   17   68 o   34.719   10.380   4.0478   8.5721  -0.5483   12.249   8.4594   12.001   31.667   14.110   37.770   15.227 -6.102537 20.75974 
1 1 1   -9   17   69 o   32.272   9.9368   1.5079   8.2384   4.8257   11.453  -2.0489   11.859   34.311   14.451   30.233   13.643 4.077967 19.87353 
1 1 1   -9   17   70 o   43.329   10.651   12.827   8.8115   26.015   12.502  -0.1902   12.421   54.879   15.895   31.779   14.181 23.09974 21.30121 
1 1 1   -9   17   71 o   51.480   11.601   23.286   9.3326   29.053   13.262   17.628   13.136   57.364   16.295   45.597   16.516 11.76669 23.20154 
1 1 1   -9   17   72 o   36.519   10.540   6.6903   8.7586   14.638   12.213  -1.7245   12.567   42.343   15.823   30.695   13.929 11.64855 21.08038 
1 1 1   -9   17   73 o   52.658   11.882   25.431   9.6540   20.741   13.225   30.780   14.125   47.770   16.645   57.546   16.961 -9.776123 23.76356 
1 1 1   -9   17   74 o   50.156   11.244   22.444   9.5139   34.956   13.509   10.131   13.401   62.065   15.969   38.248   15.833 23.81733 22.48787 
1 1 1   -9   17   75 o   37.893   15.459   10.698   12.538   10.698   12.538   0.0000   0.0000   37.893   15.459  ?   ?       ?      ? 
1 1 1   -9   17   76 o   27.835   12.953  -4.0261   11.856  -4.0261   11.856   0.0000   0.0000   27.835   12.953  ?   ?       ?      ? 
1 1 1   -9   17   77 o   25.351   12.027  -7.1382   11.121  -7.1382   11.121   0.0000   0.0000   25.351   12.027  ?   ?       ?      ? 
1 1 1   -9   17   78 o   24.700   11.799  -8.0171   11.089  -8.0171   11.089   0.0000   0.0000   24.700   11.799  ?   ?       ?      ? 
1 1 1   -9   18    1 o  150.517   8.1869  154.287   16.629  139.622   22.365  172.418   24.867  142.585   11.575  158.448   11.581 -15.86247 16.37372 
1 1 1   -9   18    2 o  223.243   7.5702  342.200   22.855  354.488   31.709  328.914   32.971  227.520   10.284  218.966   11.111 8.554245 15.14047 
1 1 1   -9   18    3 o  140.208   7.1996  134.065   12.050  133.482   14.034  135.699   23.510  139.972   7.3985  140.444   12.353 -0.4714203 14.39921 
1 1 1   -9   18    4 o   97.863   6.5361   67.267   8.4249   78.023   11.328   53.952   12.603  106.980   7.8137   88.744   10.480 18.23603 13.07221 
1 1 1   -9   18    5 o   90.174   6.6798   55.807   8.0393   56.918   10.557   54.274   12.404   91.320   8.5307   89.027   10.281 2.292076 13.35955 
1 1 1   -9   18    6 o  140.706   5.4694  134.231   10.383  127.725   13.922  142.385   15.586  136.910   7.5036  144.503   7.9594 -7.592667 10.93878 
1 1 1   -9   18    7 o  219.975   5.1020  329.408   15.169  327.125   20.687  332.065   22.310  219.190   6.9644  220.760   7.4577 -1.570099 10.20397 
1 1 1   -9   18    8 o  139.354   5.5809  133.651   10.428  143.989   14.135  121.305   15.448  145.398   7.1740  133.310   8.5511 12.08875 11.16185 
1 1 1   -9   18    9 o  153.150   5.3765  157.523   11.076  138.815   14.663  182.384   16.904  142.717   7.5817  163.583   7.6254 -20.86551 10.75310 
1 1 1   -9   18   10 o  195.278   5.1538  259.458   13.586  256.174   18.374  263.420   20.181  193.959   6.9904  196.598   7.5749 -2.638855 10.30752 
1 1 1   -9   18   11 o  139.543   5.4913  133.634   10.313  144.247   14.185  121.734   15.021  145.520   7.1934  133.566   8.2990 11.95403 10.98262 
1 1 1   -9   18   12 o  117.550   6.4613   96.303   8.8979   98.254   10.326   90.676   17.537  120.170   6.3407  114.930   11.260 5.240204 12.92251 
1 1 1   -9   18   13 o  154.610   5.9750  165.821   10.820  168.554   12.541  157.863   21.400  157.438   5.8783  151.781   10.404 5.656982 11.95008 
1 1 1   -9   18   14 o  181.376   6.1895  221.424   14.597  213.482   18.090  236.241   24.710  176.971   7.5433  185.781   9.8151 -8.809784 12.37894 
1 1 1   -9   18   15 o  190.290   6.2623  253.421   15.435  270.623   19.579  225.170   25.091  199.291   7.2495  181.288   10.213 18.00330 12.52468 
1 1 1   -9   18   16 o  111.485   6.6481   85.894   8.7583   86.838   10.184   83.211   17.164  112.938   6.6541  110.032   11.511 2.906387 13.29620 
1 1 1   -9   18   17 o  101.854   7.1362   73.521   8.5555   76.259   10.001   66.053   16.520  105.806   6.9752   97.903   12.452 7.902443 14.27237 
1 1 1   -9   18   18 o  137.106   6.2846  133.886   10.186  140.219   11.967  117.227   19.408  143.553   6.1515  130.660   10.961 12.89331 12.56929 
1 1 1   -9   18   19 o  150.577   6.4588  151.657   12.751  142.329   15.910  168.413   21.323  144.392   8.1309  156.761   10.038 -12.36850 12.91755 
1 1 1   -9   18   20 o   79.941   8.7910   43.444   9.3410   41.019   11.952   47.250   14.973   77.225   11.421   82.656   13.367 -5.431038 17.58198 
1 1 1   -9   18   21 o   99.135   6.9406   66.957   8.2720   66.502   9.6673   68.203   15.984   98.765   7.2230   99.505   11.854 -0.7396240 13.88123 
1 1 1   -9   18   22 o   58.486   9.4275   20.612   6.9137   14.091   8.1452   37.421   13.076   44.628   12.802   72.344   13.843 -27.71566 18.85509 
1 1 1   -9   18   23 o  126.784   6.1745  109.426   9.4201  108.821   11.017  111.074   18.166  126.406   6.4316  127.161   10.542 -0.7554321 12.34898 
1 1 1   -9   18   24 o   80.681   8.2692   48.325   7.6378   51.897   9.0583   39.537   14.207   87.192   7.6664   74.170   14.654 13.02162 16.53847 
1 1 1   -9   18   25 o   39.239   8.6774   9.3962   6.5235   18.613   7.9485  -9.6253   11.418   50.963   11.750   27.514   12.772 23.44898 17.35483 
1 1 1   -9   18   26 o   70.314   8.5878   34.091   7.2743   33.151   8.6287   36.401   13.525   69.554   9.1547   71.075   14.532 -1.521744 17.17551 
1 1 1   -9   18   27 o   56.507   11.238   22.759   8.3023   22.759   8.3023   0.0000   0.0000   56.507   11.238  ?   ?       ?      ? 
1 1 1   -9   18   28 o   76.406   8.5827   39.978   8.8866   39.978   8.8866   0.0000   0.0000   76.406   8.5827  ?   ?       ?      ? 
1 1 1   -9   18   29 o   81.774   8.0926   48.014   7.7191   49.580   9.1313   44.092   14.449   85.142   7.9142   78.405   14.118 6.737030 16.18528 
1 1 1   -9   18   30 o   40.272   9.8730   6.5662   6.5190   1.2754   7.7719   19.123   11.973   28.694   11.982   51.850   15.695 -23.15620 19.74604 
1 1 1   -9   18   31 o  140.555   6.0007  134.525   10.191  133.447   11.942  137.414   19.549  139.890   6.2993  141.220   10.215 -1.330002 12.00146 
1 1 1   -9   18   32 o  157.477   5.8618  166.188   11.166  161.730   13.036  178.474   21.640  153.990   6.2468  160.965   9.9207 -6.975021 11.72365 
1 1 1   -9   18   33 o   93.032   7.0542   55.796   8.1083   50.818   9.4868   69.289   15.619   86.103   8.1305   99.961   11.530 -13.85836 14.10842 
1 1 1   -9   18   34 o   86.334   7.1210   47.460   7.8051   40.917   9.2845   63.226   14.412   77.152   8.8803   95.516   11.134 -18.36398 14.24206 
1 1 1   -9   18   35 o   92.222   7.1299   57.560   8.1675   55.827   9.7037   61.773   15.126   90.225   7.9365   94.218   11.847 -3.993103 14.25971 
1 1 1   -9   18   36 o   45.793   10.505   14.257   7.0978   14.029   8.5591   14.759   12.701   44.380   13.233   47.207   16.319 -2.826481 21.01011 
1 1 1   -9   18   37 o   65.165   9.1927   37.656   7.7773   51.660   9.5784   10.557   13.324   86.710   8.1515   43.620   16.479 43.08997 18.38530 
1 1 1   -9   18   38 o   57.411   9.4305   26.702   7.4065   34.077   9.0966   12.198   12.757   70.208   9.5612   44.614   16.258 25.59397 18.86107 
1 1 1   -9   18   39 o   45.632   10.919   14.181   8.0197   14.967   10.758   13.198   12.032   46.241   15.009   45.024   15.863 1.217125 21.83868 
1 1 1   -9   18   40 o   76.057   9.1036   40.300   9.0330   31.431   11.845   52.627   13.965   65.481   13.785   86.633   11.895 -21.15244 18.20720 
1 1 1   -9   18   41 o   40.760   10.359   10.309   7.0446   10.221   8.6948   10.478   12.018   39.319   13.507   42.201   15.710 -2.882244 20.71864 
1 1 1   -9   18   42 o  112.835   6.4573   85.380   9.1990   80.684   11.018   96.186   16.715  108.289   7.5080  117.380   10.508 -9.091507 12.91459 
1 1 1   -9   18   43 o   96.227   6.8298   61.690   8.4141   56.546   10.162   72.907   15.006   90.455   8.2901  101.999   10.856 -11.54406 13.65961 
1 1 1   -9   18   44 o   41.068   10.266   10.451   6.9482   8.3971   8.7404   13.979   11.453   37.029   13.463   45.108   15.502 -8.078724 20.53197 
1 1 1   -9   18   45 o   56.244   9.9635   21.672   7.3239   16.750   8.9575   31.598   12.720   47.623   13.345   64.864   14.798 -17.24117 19.92705 
1 1 1   -9   18   46 o   50.226   12.983   18.743   8.9011   18.743   8.9011   0.0000   0.0000   50.226   12.983  ?   ?       ?      ? 
1 1 1   -9   18   47 o   76.931   9.0012   41.288   9.3839   41.288   9.3839   0.0000   0.0000   76.931   9.0012  ?   ?       ?      ? 
1 1 1   -9   18   48 o   42.197   10.467   12.200   7.4267   13.963   9.6522   9.6410   11.628   43.921   14.213   40.473   15.369 3.447666 20.93403 
1 1 1   -9   18   49 o   87.841   7.6780   51.223   8.8349   39.864   10.974   72.144   14.894   74.927   10.808  100.755   10.908 -25.82740 15.35601 
1 1 1   -9   18   50 o   58.737   10.229   24.895   7.9400   19.541   9.9720   34.168   13.124   50.713   14.034   66.762   14.886 -16.04860 20.45858 
1 1 1   -9   18   51 o   54.085   9.9495   20.323   6.9173   16.620   8.2470   29.110   12.704   46.987   12.665   61.182   15.348 -14.19476 19.89900 
1 1 1   -9   18   52 o   26.910   8.3031  -2.3100   6.1728   3.8153   7.7769 -12.7406   10.148   30.459   12.266   23.361   11.194 7.098274 16.60626 
1 1 1   -9   18   53 o   43.705   9.9559   14.335   6.5791   15.162   8.1302   12.765   11.198   44.764   12.774   42.646   15.274 2.118004 19.91175 
1 1 1   -9   18   54 o   60.292   9.1108   27.639   7.0294   28.416   8.6976   26.176   11.936   62.991   10.189   57.593   15.107 5.398613 18.22165 
1 1 1   -9   18   55 o   46.533   10.678   16.642   7.8433   20.134   10.801   12.745   11.409   50.616   14.807   42.449   15.389 8.166893 21.35570 
1 1 1   -9   18   56 o   40.548   10.491   11.365   7.5695   13.202   10.427   9.3176   11.006   42.376   14.779   38.720   14.893 3.656490 20.98112 
1 1 1   -9   18   57 o   42.985   15.462   13.510   11.487   0.0000   0.0000   13.510   11.487  ?   ?    42.985   15.462      ?      ? 
1 1 1   -9   18   58 o   70.225   11.425   39.921   10.443   41.954   16.794   38.639   13.334   70.586   17.614   69.863   14.557 0.7231903 22.85024 
1 1 1   -9   18   59 f   94.147   11.591   65.585   14.788   0.0000   0.0000   65.585   14.788  ?   ?    94.147   11.591      ?      ? 
1 1 1   -9   18   60 o   68.186   9.8464   34.325   8.0424   41.360   15.656   31.803   9.3736   70.390   16.671   65.982   10.483 4.407509 19.69275 
1 1 1   -9   18   61 o   36.567   10.391   3.8130   8.8959  -9.3416   12.911   15.704   12.275   28.236   13.261   44.897   16.001 -16.66163 20.78196 
1 1 1   -9   18   62 o   30.765   9.5393  -3.9494   8.4799 -18.0546   12.581   7.7932   11.479   24.468   11.903   37.063   14.910 -12.59473 19.07858 
1 1 1   -9   18   63 o   34.771   10.354   2.6351   8.6357   11.253   12.765  -4.6371   11.726   40.697   15.931   28.845   13.228 11.85265 20.70706 
1 1 1   -9   18   64 o   27.528   9.0388  -6.7148   8.1581 -10.2113   11.770  -3.4815   11.318   26.184   12.408   28.872   13.147 -2.687984 18.07768 
1 1 1   -9   18   65 o   29.924   9.5695  -2.7081   8.3755  -6.1860   11.996   0.6001   11.699   28.214   13.095   31.633   13.957 -3.418755 19.13895 
1 1 1   -9   18   66 o   44.272   10.665   13.188   9.0353   28.347   12.877  -1.5107   12.680   57.240   15.987   31.304   14.119 25.93599 21.32899 
1 1 1   -9   18   67 o   72.753   10.638   44.320   10.329   52.474   14.679   36.324   14.536   81.398   13.308   64.108   16.601 17.29057 21.27620 
1 1 1   -9   18   68 o   40.786   10.862   11.111   8.9950   21.823   12.720   0.3962   12.722   49.515   16.333   32.058   14.325 17.45726 21.72461 
1 1 1   -9   18   69 f   40.958   11.248   13.242   8.9699   11.302   12.616   15.225   12.756   39.251   15.687   42.666   16.123 -3.415554 22.49540 
1 1 1   -9   18   70 o   41.500   11.295   13.985   9.2217   19.109   12.811   8.4750   13.285   45.903   16.348   37.096   15.590 8.806889 22.59009 
1 1 1   -9   18   71 o   46.170   11.808   19.070   9.5533   13.281   12.561   27.012   14.714   40.130   15.775   52.210   17.575 -12.07954 23.61627 
1 1 1   -9   18   72 o   45.569   16.368   19.839   12.868   19.839   12.868   0.0000   0.0000   45.569   16.368  ?   ?       ?      ? 
1 1 1   -9   18   73 o   39.650   15.720   13.840   12.572   13.840   12.572   0.0000   0.0000   39.650   15.720  ?   ?       ?      ? 
1 1 1   -9   18   74 o   25.268   12.032  -7.5951   11.339  -7.5951   11.339   0.0000   0.0000   25.268   12.032  ?   ?       ?      ? 
1 1 1   -9   18   75 o   25.095   11.982  -7.5856   11.406  -7.5856   11.406   0.0000   0.0000   25.095   11.982  ?   ?       ?      ? 
1 1 1   -9   19    1 o   69.369   8.5419   34.052   7.7275   35.327   10.219   32.350   11.810   71.635   10.527   67.103   13.455 4.531914 17.08381 
1 1 1   -9   19    2 o  119.043   5.9513   96.293   9.5369   91.258   12.652  102.917   14.513  115.512   8.0828  122.573   8.7372 -7.060898 11.90254 
1 1 1   -9   19    3 o  127.777   5.8395  112.966   9.9758  121.783   13.413  102.050   14.924  133.540   7.4117  122.014   9.0260 11.52690 11.67909 
1 1 1   -9   19    4 o  119.980   5.9219   96.546   9.5314   82.635   12.510  115.793   14.715  109.881   8.4017  130.079   8.3480 -20.19855 11.84385 
1 1 1   -9   19    5 o  117.641   6.0188   93.308   9.5156   83.686   12.515  106.492   14.650  110.584   8.3515  124.698   8.6693 -14.11397 12.03760 
1 1 1   -9   19    6 o  123.293   5.9140  102.767   9.7994   94.726   12.889  113.780   15.085  117.688   8.0818  128.898   8.6363 -11.20978 11.82801 
1 1 1   -9   19    7 o  112.166   7.8653   85.872   11.460   89.899   19.347   83.696   14.224  113.907   12.534  110.426   9.5053 3.480721 15.73059 
1 1 1   -9   19    8 o   70.244   12.077   36.866   12.727   55.776   17.126   13.547   19.018   89.448   14.129   51.039   19.590 38.40857 24.15377 
1 1 1   -9   19    9 f  131.669   5.8510  119.878   10.261  126.450   13.554  111.057   15.703  136.077   7.3502  127.261   9.1057 8.815918 11.70209 
1 1 1   -9   19   10 o  135.949   5.5426  126.120   10.144  124.344   13.546  128.387   15.305  134.926   7.4087  136.972   8.2457 -2.045853 11.08517 
1 1 1   -9   19   11 o  122.244   7.1094  108.783   10.783  120.690   13.322   86.169   18.359  132.926   7.3958  111.562   12.144 21.36409 14.21881 
1 1 1   -9   19   12 o  117.598   7.0341  103.020   9.3457  110.972   10.859   80.295   18.355  127.601   6.2796  107.594   12.589 20.00747 14.06829 
1 1 1   -9   19   13 o   91.964   7.9608   57.466   9.5321   55.145   11.828   61.766   16.100   89.574   9.7443   94.353   12.591 -4.778694 15.92153 
1 1 1   -9   19   14 o   46.854   11.131   14.705   8.2195   15.637   10.359   13.122   13.505   47.259   14.654   46.449   16.758 0.8100395 22.26164 
1 1 1   -9   19   15 o  126.452   6.8481  105.085   11.327   92.772   13.984  128.576   19.314  116.303   8.8724  136.602   10.434 -20.29913 13.69611 
1 1 1   -9   19   16 o  183.357   5.8999  230.151   12.688  229.999   14.654  230.604   25.359  183.739   5.8855  182.976   10.227 0.7625427 11.79979 
1 1 1   -9   19   17 o  162.270   5.9349  175.370   11.451  170.102   13.227  191.128   22.878  157.960   6.1792  166.581   10.135 -8.620453 11.86986 
1 1 1   -9   19   18 o  155.220   6.0165  163.046   11.106  160.752   12.878  169.705   21.940  153.546   6.1890  156.894   10.319 -3.347763 12.03304 
1 1 1   -9   19   19 o  148.779   6.1589  153.603   10.849  155.495   12.636  148.294   21.167  151.007   6.1746  146.551   10.658 4.456238 12.31771 
1 1 1   -9   19   20 o   78.673   8.7631   45.661   7.8644   47.944   9.2335   39.629   15.009   83.644   8.1461   73.702   15.518 9.941490 17.52616 
1 1 1   -9   19   21 o   47.832   8.8990   18.261   6.9401   26.280   8.1740  -2.4503   13.136   61.764   9.7660   33.900   14.879 27.86339 17.79805 
1 1 1   -9   19   22 o  114.576   6.8309   89.696   10.606   89.696   10.606   0.0000   0.0000  114.576   6.8309  ?   ?       ?      ? 
1 1 1   -9   19   23 o  131.429   6.3929  117.925   11.386  117.925   11.386   0.0000   0.0000  131.429   6.3929  ?   ?       ?      ? 
1 1 1   -9   19   24 o   64.513   9.3914   29.372   7.2600   29.000   8.4947   30.379   13.983   64.847   9.6666   64.179   16.104 0.6685867 18.78272 
1 1 1   -9   19   25 o   32.402   9.5910   0.2967   6.5141  -2.2897   7.7064   6.7690   12.191   25.476   11.280   39.327   15.515 -13.85109 19.18203 
1 1 1   -9   19   26 o  110.821   6.5893   80.818   8.9810   75.893   10.526   94.003   17.221  105.255   7.3794  116.388   10.919 -11.13325 13.17867 
1 1 1   -9   19   27 o   69.416   9.1474   36.540   7.6319   39.996   9.2230   29.033   13.592   76.197   8.9321   62.635   15.966 13.56212 18.29485 
1 1 1   -9   19   28 o   93.797   7.0295   57.313   8.3102   51.793   9.8677   70.778   15.411   86.770   8.3920  100.824   11.280 -14.05433 14.05899 
1 1 1   -9   19   29 o   78.301   7.6374   39.156   7.6397   32.955   9.1332   53.603   13.941   69.004   9.7671   87.598   11.744 -18.59343 15.27479 
1 1 1   -9   19   30 o   36.319   9.9388   4.4637   6.5968   1.1501   7.8834   12.204   12.049   28.599   12.014   44.040   15.836 -15.44074 19.87760 
1 1 1   -9   19   31 o  104.566   6.6066   74.346   8.5222   72.534   10.089   78.860   15.924  102.814   7.2410  106.319   11.053 -3.505325 13.21324 
1 1 1   -9   19   32 f   91.833   6.7778   53.617   7.8426   46.280   9.2657   72.151   14.727   81.929   8.3457  101.737   10.682 -19.80875 13.55566 
1 1 1   -9   19   33 o   72.294   8.2839   35.616   7.3553   33.067   8.7826   41.605   13.460   69.063   9.3841   75.524   13.654 -6.461655 16.56774 
1 1 1   -9   19   34 o   92.899   7.2367   61.964   8.1757   64.578   9.7623   55.823   14.961   96.893   7.4349   88.905   12.418 7.988770 14.47344 
1 1 1   -9   19   35 o   77.181   8.6090   41.509   8.9318   37.704   11.755   46.707   13.739   73.134   11.861   81.229   12.482 -8.095169 17.21808 
1 1 1   -9   19   36 o   93.964   7.5192   60.434   9.4518   53.110   12.232   71.286   14.890   87.141   10.359  100.788   10.902 -13.64698 15.03830 
1 1 1   -9   19   37 o   80.443   7.5780   45.164   7.7074   44.687   9.3412   46.180   13.642   80.285   8.5859   80.601   12.489 -0.3164825 15.15603 
1 1 1   -9   19   38 o   90.346   7.0403   54.315   8.1292   49.218   9.7861   65.663   14.602   84.214   8.5752   96.479   11.168 -12.26503 14.08061 
1 1 1   -9   19   39 o   98.232   7.1515   66.931   9.3523   63.782   12.030   71.744   14.870   95.607   9.2849  100.856   10.880 -5.249054 14.30303 
1 1 1   -9   19   40 o   42.453   10.445   11.639   7.3557   8.3232   9.6133   16.321   11.425   37.544   14.036   47.362   15.472 -9.818249 20.89000 
1 1 1   -9   19   41 o   39.952   10.346   8.7587   7.3261   4.4893   9.3587   15.516   11.774   33.396   13.453   46.507   15.721 -13.11074 20.69139 
1 1 1   -9   19   42 o   68.848   11.195   33.729   10.445   33.729   10.445   0.0000   0.0000   68.848   11.195  ?   ?       ?      ? 
1 1 1   -9   19   43 o   49.488   12.520   18.337   8.4030   18.337   8.4030   0.0000   0.0000   49.488   12.520  ?   ?       ?      ? 
1 1 1   -9   19   44 o   57.667   9.4377   25.843   7.0704   28.250   8.6300   20.930   12.331   63.163   10.082   52.171   15.957 10.99214 18.87546 
1 1 1   -9   19   45 o   37.927   9.9064   7.6175   6.5092   4.2758   7.9612   14.356   11.305   31.222   12.468   44.632   15.398 -13.41036 19.81275 
1 1 1   -9   19   46 o   47.529   10.237   15.307   6.9480   10.954   8.4577   24.342   12.185   39.310   13.324   55.749   15.544 -16.43903 20.47352 
1 1 1   -9   19   47 o   98.409   7.0813   67.641   8.7382   65.422   10.469   72.739   15.868   96.681   7.9903  100.137   11.693 -3.455299 14.16263 
1 1 1   -9   19   48 o   44.580   9.5732   9.8538   6.7851   1.1172   8.1910   28.956   12.112   28.396   12.101   60.764   14.838 -32.36794 19.14644 
1 1 1   -9   19   49 o   50.486   9.9329   18.527   6.6849   15.793   8.0823   24.446   11.894   45.491   12.651   55.481   15.316 -9.989983 19.86579 
1 1 1   -9   19   50 o   42.348   10.074   13.117   6.5020   12.998   7.7895   13.392   11.807   41.492   12.681   43.204   15.657 -1.711838 20.14824 
1 1 1   -9   19   51 o   40.100   10.148   8.2949   6.6395   3.7112   7.8324   20.000   12.516   30.132   12.247   50.068   16.183 -19.93589 20.29526 
1 1 1   -9   19   52 o   50.833   15.845   20.805   12.093   0.0000   0.0000   20.805   12.093  ?   ?    50.833   15.845      ?      ? 
1 1 1   -9   19   53 o   45.380   11.464   12.457   8.9849   26.397   15.220   4.9999   11.132   55.925   17.822   34.835   14.426 21.08923 22.92884 
1 1 1   -9   19   54 o   50.270   10.164   7.8904   8.9483   46.237   16.181  -9.0036   10.740   74.974   16.384   25.566   12.035 49.40870 20.32892 
1 1 1   -9   19   55 o   62.195   9.6279   31.389   8.1356   40.643   11.061   20.484   12.008   74.321   10.983   50.068   15.816 24.25317 19.25572 
1 1 1   -9   19   56 o   26.324   8.5357  -5.1035   6.9905  -1.6088   9.6978  -8.8834   10.086   28.080   12.530   24.567   11.594 3.512978 17.07149 
1 1 1   -9   19   57 o   55.571   10.280   25.014   7.8017   23.795   10.511   26.511   11.642   54.274   14.147   56.869   14.920 -2.594353 20.56093 
1 1 1   -9   19   58 o   47.891   14.536   18.640   10.260   18.640   10.260   0.0000   0.0000   47.891   14.536  ?   ?       ?      ? 
1 1 1   -9   19   59 o   59.165   13.369   27.950   10.466   27.950   10.466   0.0000   0.0000   59.165   13.369  ?   ?       ?      ? 
1 1 1   -9   19   60 o   35.166   13.721   7.7518   9.4446   7.7518   9.4446   0.0000   0.0000   35.166   13.721  ?   ?       ?      ? 
1 1 1   -9   19   61 o   50.430   13.935   20.902   9.8395   20.902   9.8395   0.0000   0.0000   50.430   13.935  ?   ?       ?      ? 
1 1 1   -9   19   62 o   28.365   12.396   0.6848   9.0299   0.6848   9.0299   0.0000   0.0000   28.365   12.396  ?   ?       ?      ? 
1 1 1   -9   19   63 o   30.712   12.896   3.7053   9.0785   3.7053   9.0785   0.0000   0.0000   30.712   12.896  ?   ?       ?      ? 
1 1 1   -9   19   64 o   45.721   14.122   17.633   9.6308   17.633   9.6308   0.0000   0.0000   45.721   14.122  ?   ?       ?      ? 
1 1 1   -9   19   65 o   26.663   12.032  -1.6092   9.2225  -1.6092   9.2225   0.0000   0.0000   26.663   12.032  ?   ?       ?      ? 
1 1 1   -9   19   66 o   49.672   17.113   23.475   13.962   23.475   13.962   0.0000   0.0000   49.672   17.113  ?   ?       ?      ? 
1 1 1   -9   19   67 o   53.777   12.071   28.162   9.8828   28.779   14.004   27.549   13.949   54.385   17.067   53.170   17.074 1.214184 24.14129 
1 1 1   -9   19   68 o   35.760   15.108   8.2420   12.582   8.2420   12.582   0.0000   0.0000   35.760   15.108  ?   ?       ?      ? 
1 1 1   -9   19   69 o   22.262   10.874 -14.3947   10.810 -14.3947   10.810   0.0000   0.0000   22.262   10.874  ?   ?       ?      ? 
1 1 1   -9   19   70 o   40.678   15.901   15.717   12.704   15.717   12.704   0.0000   0.0000   40.678   15.901  ?   ?       ?      ? 
1 1 1   -9   19   71 o   42.862   16.068   18.870   12.615   18.870   12.615   0.0000   0.0000   42.862   16.068  ?   ?       ?      ? 
1 1 1   -9   20    1 o   56.347   9.5610   22.022   7.5116   12.007   9.9077   35.560   11.520   42.419   14.421   70.274   12.557 -27.85489 19.12207 
1 1 1   -9   20    2 o   38.675   9.3451   4.2149   7.0473  -7.3431   9.2665   20.070   10.853   24.946   11.554   52.404   14.691 -27.45808 18.69022 
1 1 1   -9   20    3 o   61.883   9.1621   28.948   7.5510   38.091   10.157   17.653   11.290   74.152   10.108   49.615   15.284 24.53734 18.32426 
1 1 1   -9   20    4 o   71.329   8.4970   35.211   7.7948   23.707   10.256   50.948   11.995   56.939   13.497   85.719   10.326 -28.77918 16.99391 
1 1 1   -9   20    5 o   64.583   8.8809   28.378   7.6122   13.986   9.8777   49.424   11.945   44.761   14.367   84.404   10.444 -39.64343 17.76185 
1 1 1   -9   20    6 o   71.970   10.563   40.546   9.6861   27.534   16.148   47.860   12.106   60.943   18.177   82.996   10.764 -22.05380 21.12512 
1 1 1   -9   20    7 o   33.890   10.473  -2.8413   8.8292   3.3774   14.672  -6.3715   11.055   39.341   16.449   28.439   12.967 10.90232 20.94543 
1 1 1   -9   20    8 o   48.600   11.877   16.202   9.4068   9.0140   17.282   19.228   11.213   45.771   18.337   51.430   15.099 -5.659481 23.75322 
1 1 1   -9   20    9 o  117.816   7.0742   98.276   11.005   83.720   16.746  109.340   14.599  109.620   11.273  126.012   8.5494 -16.39234 14.14840 
1 1 1   -9   20   10 o  115.040   6.7735   90.442   10.496  102.331   15.921   81.302   13.959  121.629   9.6595  108.451   9.4983 13.17861 13.54710 
1 1 1   -9   20   11 f  107.898   7.2259   80.333   9.6476   79.736   11.494   81.757   17.748  107.729   7.8734  108.068   12.119 -0.3396225 14.45187 
1 1 1   -9   20   12 o   51.609   10.801   17.336   7.4045   14.468   8.6550   25.165   14.300   44.898   13.289   58.320   17.031 -13.42263 21.60190 
1 1 1   -9   20   13 o   81.377   8.3575   44.167   8.4953   41.028   10.058   51.982   15.870   76.993   9.6399   85.762   13.655 -8.769043 16.71495 
1 1 1   -9   20   14 o  126.346   11.216  111.349   19.204  111.349   19.204   0.0000   0.0000  126.346   11.216  ?   ?       ?      ? 
1 1 1   -9   20   15 o  106.580   12.058   79.627   17.415   79.627   17.415   0.0000   0.0000  106.580   12.058  ?   ?       ?      ? 
1 1 1   -9   20   16 o   75.692   10.083   44.408   8.8095   47.927   10.341   35.098   16.820   83.262   9.1653   68.123   17.963 15.13905 20.16648 
1 1 1   -9   20   17 o   82.468   9.4231   47.089   10.531   47.089   10.531   0.0000   0.0000   82.468   9.4231  ?   ?       ?      ? 
1 1 1   -9   20   18 o  113.008   7.9366   87.898   12.154   87.898   12.154   0.0000   0.0000  113.008   7.9366  ?   ?       ?      ? 
1 1 1   -9   20   19 o   98.784   7.3826   65.355   9.2924   60.693   11.192   75.702   16.672   93.717   8.8127  103.851   11.847 -10.13442 14.76527 
1 1 1   -9   20   20 o   99.184   7.3756   68.515   9.2871   68.449   11.320   68.651   16.242   99.596   8.3875   98.771   12.135 0.8248672 14.75127 
1 1 1   -9   20   21 o   68.055   9.2538   29.385   7.9665   21.360   9.5385   47.891   14.485   53.881   13.174   82.229   12.999 -28.34809 18.50766 
1 1 1   -9   20   22 o   51.401   10.399   18.126   7.2985   14.901   8.9156   24.677   12.708   45.360   13.502   57.443   15.821 -12.08376 20.79895 
1 1 1   -9   20   23 o   41.255   10.033   11.519   6.9677   14.838   8.6549   5.4071   11.746   45.194   13.264   37.315   15.058 7.878685 20.06670 
1 1 1   -9   20   24 o  105.510   7.0784   79.067   9.5754   82.527   11.935   72.816   16.042  109.337   8.0550  101.684   11.642 7.653114 14.15674 
1 1 1   -9   20   25 o   89.975   7.4826   54.475   8.7659   49.222   10.779   64.735   15.064   84.115   9.4563   95.835   11.599 -11.72066 14.96523 
1 1 1   -9   20   26 o   52.090   9.9131   21.408   7.4946   27.293   9.4103   11.200   12.393   61.255   11.764   42.926   15.959 18.32891 19.82615 
1 1 1   -9   20   27 o   46.398   10.185   15.942   7.0612   17.988   8.7823   12.200   11.876   49.326   12.967   43.470   15.710 5.855804 20.37056 
1 1 1   -9   20   28 f   25.290   8.1984 -10.9459   6.3669 -18.4062   8.0025   1.9226   10.510   17.744   8.7978   32.836   13.837 -15.09182 16.39689 
1 1 1   -9   20   29 o   73.907   8.5545   40.423   7.4060   41.806   8.7862   37.029   13.765   77.634   8.3515   70.180   14.932 7.453674 17.10894 
1 1 1   -9   20   30 o   50.954   9.7528   20.565   6.8146   23.504   8.1237   13.584   12.518   56.855   10.941   45.053   16.148 11.80141 19.50570 
1 1 1   -9   20   31 o   50.325   10.845   18.605   7.9534   16.915   10.293   21.110   12.529   47.778   14.573   52.872   16.066 -5.093975 21.69063 
1 1 1   -9   20   32 o   36.588   10.198   6.5465   7.4085   7.4201   9.7447   5.3499   11.404   36.678   14.036   36.497   14.799 0.1802902 20.39638 
1 1 1   -9   20   33 o   30.385   8.9473   2.3057   6.1024   5.1611   7.3930  -3.7993   10.810   31.652   12.197   29.118   13.093 2.533278 17.89454 
1 1 1   -9   20   34 o   54.365   9.2706   19.198   6.5750   12.608   7.9250   33.754   11.778   41.559   12.806   67.171   13.408 -25.61230 18.54117 
1 1 1   -9   20   35 o   69.038   8.8094   36.280   7.3588   38.620   8.9347   31.345   12.975   74.264   8.8781   63.811   15.219 10.45275 17.61889 
1 1 1   -9   20   36 o   93.924   7.0078   60.813   8.2444   58.365   9.8479   66.549   15.074   91.544   7.9383   96.304   11.551 -4.759651 14.01551 
1 1 1   -9   20   37 o   60.265   9.3065   27.687   7.0869   28.964   8.5970   24.978   12.519   63.947   9.9208   56.583   15.749 7.364185 18.61306 
1 1 1   -9   20   38 o   67.021   9.4912   31.752   8.6201   31.752   8.6201   0.0000   0.0000   67.021   9.4912  ?   ?       ?      ? 
1 1 1   -9   20   39 o   56.324   11.587   23.642   8.5491   23.642   8.5491   0.0000   0.0000   56.324   11.587  ?   ?       ?      ? 
1 1 1   -9   20   40 f   69.049   8.3700   32.567   7.1224   28.508   8.4570   42.470   13.210   63.278   9.8623   74.821   13.526 -11.54332 16.73996 
1 1 1   -9   20   41 o   27.172   8.4919  -3.7389   5.9152  -7.7133   7.2340   4.2799   10.275   20.578   9.7444   33.766   13.910 -13.18708 16.98376 
1 1 1   -9   20   42 o   62.523   9.0482   29.193   6.9509   28.880   8.3026   29.925   12.710   63.641   9.6271   61.404   15.323 2.236843 18.09640 
1 1 1   -9   20   43 o   58.958   8.8766   21.670   6.7843   12.960   8.0506   43.013   12.602   41.492   12.927   76.425   12.168 -34.93308 17.75316 
1 1 1   -9   20   44 o   30.462   9.3429   0.7396   7.0057   1.2131   8.9517  -0.0089   11.254   29.410   12.595   31.514   13.804 -2.104443 18.68587 
1 1 1   -9   20   45 o   48.377   10.539   17.076   7.4862   12.416   9.3955   25.178   12.389   40.996   14.043   55.758   15.719 -14.76233 21.07830 
1 1 1   -9   20   46 o   53.596   10.834   22.640   8.0441   20.946   10.097   25.583   13.309   51.452   14.075   55.739   16.474 -4.287411 21.66751 
1 1 1   -9   20   47 o   43.292   11.312   13.147   8.8111   17.574   13.207   9.5968   11.828   47.311   16.625   39.273   15.346 8.037289 22.62479 
1 1 1   -9   20   48 o   27.941   8.8598  -4.1343   7.0669  -9.6149   9.4372   2.8622   10.663   23.292   11.058   32.590   13.845 -9.297911 17.71956 
1 1 1   -9   20   49 o   49.888   10.611   20.134   7.7129   20.327   10.139   19.868   11.883   50.366   14.228   49.410   15.747 0.9558601 21.22282 
1 1 1   -9   20   50 o   61.309   10.111   29.576   8.1449   26.453   10.558   34.164   12.800   57.664   13.712   64.955   14.863 -7.290810 20.22236 
1 1 1   -9   20   51 o   49.468   10.694   19.005   7.8704   13.808   10.214   26.600   12.347   42.338   14.635   56.597   15.598 -14.25877 21.38874 
1 1 1   -9   20   52 o   68.117   9.6684   36.777   8.5534   38.029   11.018   34.879   13.569   71.416   11.385   64.817   15.630 6.599419 19.33688 
1 1 1   -9   20   53 o   52.362   10.660   22.068   7.8644   18.916   10.130   26.852   12.478   48.202   14.402   56.521   15.720 -8.319248 21.31923 
1 1 1   -9   20   54 o   38.997   14.148   11.231   9.6456   11.231   9.6456   0.0000   0.0000   38.997   14.148  ?   ?       ?      ? 
1 1 1   -9   20   55 o   28.500   12.420   0.6905   9.0098   0.6905   9.0098   0.0000   0.0000   28.500   12.420  ?   ?       ?      ? 
1 1 1   -9   20   56 o   59.521   12.733   28.198   9.9602   28.198   9.9602   0.0000   0.0000   59.521   12.733  ?   ?       ?      ? 
1 1 1   -9   20   57 o   49.159   13.986   20.051   9.7615   20.051   9.7615   0.0000   0.0000   49.159   13.986  ?   ?       ?      ? 
1 1 1   -9   20   58 f   35.324   13.740   8.3509   9.4482   8.3509   9.4482   0.0000   0.0000   35.324   13.740  ?   ?       ?      ? 
1 1 1   -9   20   59 o   24.435   11.281  -4.2857   8.7274  -4.2857   8.7274   0.0000   0.0000   24.435   11.281  ?   ?       ?      ? 
1 1 1   -9   20   60 o   31.768   13.048   5.3205   9.0071   5.3205   9.0071   0.0000   0.0000   31.768   13.048  ?   ?       ?      ? 
1 1 1   -9   20   61 o   22.741   10.694  -6.2042   8.4393  -6.2042   8.4393   0.0000   0.0000   22.741   10.694  ?   ?       ?      ? 
1 1 1   -9   20   62 o   32.728   13.147   6.8268   8.9113   6.8268   8.9113   0.0000   0.0000   32.728   13.147  ?   ?       ?      ? 
1 1 1   -9   20   63 o   29.550   13.458  -0.9881   11.864  -0.9881   11.864   0.0000   0.0000   29.550   13.458  ?   ?       ?      ? 
1 1 1   -9   20   64 o   31.327   13.923   2.5742   11.850   2.5742   11.850   0.0000   0.0000   31.327   13.923  ?   ?       ?      ? 
1 1 1   -9   20   65 o   23.954   11.511  -9.8179   10.898  -9.8179   10.898   0.0000   0.0000   23.954   11.511  ?   ?       ?      ? 
1 1 1   -9   20   66 o   29.714   13.423   1.3290   11.514   1.3290   11.514   0.0000   0.0000   29.714   13.423  ?   ?       ?      ? 
1 1 1   -9   20   67 o   32.927   14.315   6.6868   11.908   6.6868   11.908   0.0000   0.0000   32.927   14.315  ?   ?       ?      ? 
1 1 1   -9   21    1 o   32.942   9.9433  -0.4078   7.2197  -3.3459   8.5611   6.8266   13.434   25.968   11.667   39.916   16.105 -13.94848 19.88654 
1 1 1   -9   21    2 o   66.434   9.8960   30.447   7.9683   26.934   9.3822   39.540   15.094   60.699   11.831   72.168   15.866 -11.46963 19.79194 
1 1 1   -9   21    3 o   49.555   9.6767   20.292   7.5183   27.566   8.9400   2.7184   13.895   61.673   11.105   37.438   15.850 24.23537 19.35331 
1 1 1   -9   21    4 o   41.423   10.681   8.8333   7.2445   5.4828   8.5591   17.298   13.604   33.541   13.069   49.305   16.898 -15.76379 21.36165 
1 1 1   -9   21    5 o   37.374   9.8297   7.9536   7.1175   12.920   8.4439  -4.2347   13.228   42.370   13.246   32.378   14.527 9.991974 19.65933 
1 1 1   -9   21    6 o   51.932   10.110   21.885   7.5941   26.873   9.0897   10.356   13.819   60.756   11.460   43.109   16.658 17.64785 20.21966 
1 1 1   -9   21    7 o   54.437   9.8882   21.704   7.2087   19.630   9.2392   24.931   11.525   51.368   13.201   57.506   14.725 -6.138283 19.77634 
1 1 1   -9   21    8 f   34.751   9.3731   5.9696   6.5058   10.488   8.2348  -1.5338   10.612   39.080   13.148   30.421   13.362 8.659361 18.74626 
1 1 1   -9   21    9 o   64.197   8.7402   30.379   7.2432   32.234   9.3356   27.572   11.481   67.781   10.164   60.614   14.222 7.167381 17.48040 
1 1 1   -9   21   10 o   68.707   10.211   33.139   9.5072   33.139   9.5072   0.0000   0.0000   68.707   10.211  ?   ?       ?      ? 
1 1 1   -9   21   11 o   26.771   11.206   1.3045   6.8210   1.3045   6.8210   0.0000   0.0000   26.771   11.206  ?   ?       ?      ? 
1 1 1   -9   21   12 o   38.379   12.066   10.474   6.9960   10.474   6.9960   0.0000   0.0000   38.379   12.066  ?   ?       ?      ? 
1 1 1   -9   21   13 o   45.622   8.3247   17.750   6.3244   25.287   7.2722  -5.6465   12.812   60.245   8.9076   30.998   14.066 29.24710 16.64932 
1 1 1   -9   21   14 o   50.708   9.3841   20.546   6.4181   23.481   7.4128   11.756   12.827   57.945   9.4403   43.472   16.221 14.47274 18.76812 
1 1 1   -9   21   15 o   45.665   9.9296   15.801   6.3738   17.366   7.2724   10.617   13.237   48.603   11.262   42.727   16.357 5.876072 19.85928 
1 1 1   -9   21   16 o   29.457   9.1387  -0.8997   6.0139  -1.6794   6.8881   1.6003   12.334   24.168   10.684   34.745   14.829 -10.57690 18.27732 
1 1 1   -9   21   17 o   51.135   10.203   17.331   6.6957   14.301   7.7683   26.089   13.206   44.020   12.460   58.250   16.161 -14.23000 20.40698 
1 1 1   -9   21   18 o   49.273   10.176   17.324   6.6431   16.308   7.7695   20.085   12.810   46.885   12.135   51.660   16.338 -4.775497 20.35165 
1 1 1   -9   21   19 o   37.044   9.7724   8.2732   6.1611   8.9568   7.2032   6.4102   11.892   36.252   12.296   37.836   15.192 -1.584637 19.54478 
1 1 1   -9   21   20 o   29.175   8.8799   0.8819   5.9826   2.7131   7.0104  -4.0260   11.477   28.423   11.574   29.926   13.471 -1.502897 17.75982 
1 1 1   -9   21   21 o   46.256   14.120   15.916   9.6617   15.916   9.6617   0.0000   0.0000   46.256   14.120  ?   ?       ?      ? 
1 1 1   -9   21   22 o   43.533   14.148   13.771   9.5581   13.771   9.5581   0.0000   0.0000   43.533   14.148  ?   ?       ?      ? 
1 1 1   -9   21   23 o   41.121   9.9234   12.201   6.4102   14.089   7.3686   6.3243   12.998   43.558   12.068   38.684   15.756 4.873600 19.84673 
1 1 1   -9   21   24 o   38.605   10.073   7.6515   6.2347   5.2449   7.2013   14.854   12.459   31.417   12.056   45.792   16.142 -14.37508 20.14680 
1 1 1   -9   21   25 f   45.203   10.803   14.345   7.7600   11.793   10.017   18.177   12.272   41.287   14.480   49.119   16.035 -7.832363 21.60528 
1 1 1   -9   21   26 o   35.940   10.265   5.5448   7.6641   4.4289   10.149   7.0259   11.692   34.024   13.898   37.856   15.111 -3.832188 20.53052 
1 1 1   -9   21   27 o   71.103   9.7443   38.840   9.0043   43.635   11.899   32.416   13.774   77.939   11.266   64.266   15.902 13.67260 19.48853 
1 1 1   -9   21   28 o   62.959   9.3827   33.777   7.2455   39.566   8.6207   19.848   13.372   75.114   8.4691   50.804   16.746 24.30999 18.76548 
1 1 1   -9   21   29 o   48.871   9.8882   15.192   6.5284   10.146   7.7026   28.061   12.302   37.845   12.716   59.898   15.146 -22.05386 19.77636 
1 1 1   -9   21   30 o   80.979   7.9812   45.478   8.4770   40.312   10.518   55.050   14.318   75.085   10.338   86.872   12.163 -11.78735 15.96239 
1 1 1   -9   21   31 o  104.770   7.1222   77.076   9.6983   73.821   12.017   83.154   16.423  102.351   8.6644  107.188   11.306 -4.837265 14.24444 
1 1 1   -9   21   32 o   61.739   10.096   28.614   8.0495   25.423   10.075   34.247   13.386   57.576   13.195   65.902   15.285 -8.326267 20.19264 
1 1 1   -9   21   33 o   52.801   13.456   21.563   9.6563   21.563   9.6563   0.0000   0.0000   52.801   13.456  ?   ?       ?      ? 
1 1 1   -9   21   34 o   35.927   13.479   8.0960   8.8804   8.0960   8.8804   0.0000   0.0000   35.927   13.479  ?   ?       ?      ? 
1 1 1   -9   21   35 o   62.105   9.6653   30.852   7.7877   34.181   9.7099   24.850   13.039   68.828   10.410   55.382   16.288 13.44630 19.33053 
1 1 1   -9   21   36 o   74.816   8.6987   41.554   8.1382   40.785   10.028   43.039   13.930   75.382   9.8162   74.249   14.363 1.133011 17.39737 
1 1 1   -9   21   37 o   43.323   10.092   12.533   6.4098   9.4477   7.6025   20.117   11.920   36.503   12.625   50.143   15.748 -13.64056 20.18377 
1 1 1   -9   21   38 o   37.331   9.8759   9.0258   6.3419   9.0268   7.5421   9.0232   11.717   35.875   12.566   38.787   15.240 -2.912540 19.75185 
1 1 1   -9   21   39 o   30.887   9.1767   3.0746   6.1670   3.8197   7.3893   1.3642   11.195   29.578   11.940   32.195   13.938 -2.616913 18.35337 
1 1 1   -9   21   40 o   35.144   9.6081   7.5152   6.3892   9.0495   7.7512   4.2630   11.285   35.937   12.725   34.351   14.399 1.586235 19.21614 
1 1 1   -9   21   41 o   44.166   10.596   14.755   7.4374   12.929   9.5634   17.548   11.831   41.384   14.168   46.949   15.760 -5.564831 21.19174 
1 1 1   -9   21   42 o   52.120   11.322   22.408   8.7513   22.697   12.905   22.163   11.908   52.285   16.380   51.955   15.635 0.3299637 22.64390 
1 1 1   -9   21   43 o   26.072   8.2261  -2.5246   6.1659   2.5312   7.4412 -13.6014   11.014   28.215   11.749   23.929   11.517 4.286674 16.45221 
1 1 1   -9   21   44 o   47.851   10.692   17.705   7.7046   13.615   9.9115   23.950   12.248   42.055   14.423   53.646   15.789 -11.59152 21.38452 
1 1 1   -9   21   45 o   34.466   9.9805   5.7584   7.4049   6.7861   9.7656   4.3681   11.358   34.741   13.829   34.191   14.395 0.5500412 19.96098 
1 1 1   -9   21   46 o   43.194   10.857   14.515   7.9343   14.961   10.316   13.870   12.415   43.506   14.715   42.882   15.967 0.6241226 21.71369 
1 1 1   -9   21   47 o   71.198   9.6518   39.638   8.8548   36.222   11.462   44.696   13.946   67.906   12.928   74.490   14.335 -6.584595 19.30359 
1 1 1   -9   21   48 o   45.883   10.914   17.014   7.8712   16.126   10.021   18.444   12.718   44.649   14.486   47.116   16.328 -2.466743 21.82708 
1 1 1   -9   21   49 o   52.142   10.310   20.762   7.6843   13.302   9.7428   33.042   12.500   41.199   14.290   63.084   14.866 -21.88472 20.62008 
1 1 1   -9   21   50 o   26.210   11.823  -2.2119   8.8952  -2.2119   8.8952   0.0000   0.0000   26.210   11.823  ?   ?       ?      ? 
1 1 1   -9   21   51 o   65.383   11.797   33.354   10.068   33.354   10.068   0.0000   0.0000   65.383   11.797  ?   ?       ?      ? 
1 1 1   -9   21   52 o   39.567   14.033   12.304   9.4305   12.304   9.4305   0.0000   0.0000   39.567   14.033  ?   ?       ?      ? 
1 1 1   -9   21   53 o   57.278   13.595   27.193   10.394   27.193   10.394   0.0000   0.0000   57.278   13.595  ?   ?       ?      ? 
1 1 1   -9   21   54 o   23.670   11.026  -5.2604   8.6297  -5.2604   8.6297   0.0000   0.0000   23.670   11.026  ?   ?       ?      ? 
1 1 1   -9   21   55 o   35.258   13.620   8.8766   9.2356   8.8766   9.2356   0.0000   0.0000   35.258   13.620  ?   ?       ?      ? 
1 1 1   -9   21   56 o   28.700   12.329   2.4825   8.6255   2.4825   8.6255   0.0000   0.0000   28.700   12.329  ?   ?       ?      ? 
1 1 1   -9   21   57 o   40.753   15.847   14.123   12.566   14.123   12.566   0.0000   0.0000   40.753   15.847  ?   ?       ?      ? 
1 1 1   -9   21   58 o   46.032   16.434   20.359   12.954   20.359   12.954   0.0000   0.0000   46.032   16.434  ?   ?       ?      ? 
1 1 1   -9   21   59 o   33.784   14.710   5.7280   12.611   5.7280   12.611   0.0000   0.0000   33.784   14.710  ?   ?       ?      ? 
1 1 1   -9   21   60 o   60.991   16.360   36.569   13.801   36.569   13.801   0.0000   0.0000   60.991   16.360  ?   ?       ?      ? 
1 1 1   -9   21   61 f   46.547   16.615   22.734   13.240   22.734   13.240   0.0000   0.0000   46.547   16.615  ?   ?       ?      ? 
1 1 1   -9   21   62 o   29.193   13.419  -0.0486   12.165  -0.0486   12.165   0.0000   0.0000   29.193   13.419  ?   ?       ?      ? 
1 1 1   -9   22    1 o   31.227   9.1957   2.6314   6.2333   1.5088   7.8108   4.6002   10.344   28.235   11.915   34.218   14.010 -5.982452 18.39132 
1 1 1   -9   22    2 o   73.095   10.442   41.215   8.3890   41.544   9.4634   40.005   18.127   76.695   9.1054   69.495   18.796 7.199387 20.88494 
1 1 1   -9   22    3 o   56.699   9.4382   31.265   7.9932   40.467   9.0643  -0.9146   16.951   75.791   8.8254   37.608   16.686 38.18331 18.87649 
1 1 1   -9   22    4 o   46.727   11.192   15.281   7.3102   14.746   8.1748   17.420   16.333   44.217   12.866   49.237   18.317 -5.019512 22.38449 
1 1 1   -9   22    5 o   38.463   10.922   6.6889   7.2558   5.6453   8.1094   10.878   16.247   32.737   12.730   44.188   17.752 -11.45150 21.84487 
1 1 1   -9   22    6 o   64.191   8.7723   30.428   7.1811   28.818   9.1034   33.080   11.684   62.485   11.160   65.897   13.537 -3.411678 17.54455 
1 1 1   -9   22    7 o   57.265   9.0045   26.153   6.9855   33.329   9.1222   15.980   10.862   68.463   9.8324   46.067   15.088 22.39590 18.00891 
1 1 1   -9   22    8 o   51.237   9.7170   20.173   6.7970   20.315   8.7379   19.956   10.816   51.742   12.583   50.733   14.810 1.009140 19.43408 
1 1 1   -9   22    9 o   40.415   9.9444   10.709   6.6055   7.5817   8.4305   15.680   10.631   35.177   13.146   45.653   14.925 -10.47633 19.88884 
1 1 1   -9   22   10 o  128.197   6.5587  115.748   9.5416  115.289   10.869  117.289   19.922  129.157   6.2101  127.238   11.554 1.918747 13.11743 
1 1 1   -9   22   11 o   97.201   8.4085   76.511   8.3402   82.624   9.5247   56.419   17.268  109.253   6.4334   85.150   15.538 24.10253 16.81701 
1 1 1   -9   22   12 o   39.509   10.291   8.3424   6.1597   6.3274   6.9230   15.999   13.495   32.228   11.938   46.789   16.767 -14.56134 20.58250 
1 1 1   -9   22   13 f   33.994   8.3289   6.8274   5.9083   13.734   6.7433 -15.9960   12.258   42.798   11.416   25.190   12.131 17.60824 16.65789 
1 1 1   -9   22   14 o   52.029   8.8698   25.017   6.5690   31.425   7.5154   4.2749   13.522   66.879   8.2924   37.179   15.682 29.69976 17.73963 
1 1 1   -9   22   15 o   46.038   8.5856   18.399   6.4203   25.058   7.4032  -1.8038   12.895   59.467   9.1867   32.609   14.507 26.85802 17.17119 
1 1 1   -9   22   16 o   68.465   9.2654   38.056   7.0340   40.680   8.0812   29.856   14.288   76.214   7.8245   60.716   16.798 15.49806 18.53084 
1 1 1   -9   22   17 o   63.473   9.5709   29.955   7.0152   29.410   8.0090   31.752   14.540   64.392   9.1784   62.553   16.798 1.838261 19.14186 
1 1 1   -9   22   18 o   37.677   10.036   8.3175   6.2011   7.4483   7.1196   11.049   12.622   33.751   12.169   41.603   15.961 -7.852608 20.07124 
1 1 1   -9   22   19 o   43.365   10.172   14.161   6.5416   15.112   7.5019   11.145   13.364   44.611   12.102   42.119   16.352 2.491833 20.34335 
1 1 1   -9   22   20 o   60.711   9.8766   30.355   8.2211   38.031   10.572   18.613   13.076   72.525   10.757   48.897   16.567 23.62790 19.75311 
1 1 1   -9   22   21 o   39.579   10.612   9.2198   7.7424   5.8505   9.9154   14.483   12.393   34.614   13.881   44.543   16.056 -9.929390 21.22489 
1 1 1   -9   22   22 o   85.843   7.4388   49.683   7.6845   45.785   8.8704   61.406   15.384   80.628   8.1184   91.058   12.467 -10.42958 14.87755 
1 1 1   -9   22   23 o   52.982   9.8224   22.650   6.7076   23.929   7.8096   19.055   13.097   56.794   10.535   49.169   16.581 7.625404 19.64475 
1 1 1   -9   22   24 o   38.543   9.4075   10.942   6.4157   15.068   7.5289   0.0009   12.260   44.399   12.157   32.687   14.360 11.71130 18.81496 
1 1 1   -9   22   25 o   56.806   9.1534   29.874   7.0310   37.253   8.2407   10.130   13.480   72.564   8.3803   41.047   16.276 31.51667 18.30676 
1 1 1   -9   22   26 o   63.397   9.2765   30.116   6.9004   29.505   7.9753   31.936   13.763   64.290   9.1543   62.504   16.137 1.785355 18.55298 
1 1 1   -9   22   27 o   32.608   9.5303   3.6953   6.0958   2.5690   7.0644   6.9785   12.062   27.881   11.515   37.335   15.189 -9.454285 19.06063 
1 1 1   -9   22   28 o   31.139   12.146   5.2429   7.3999   5.2429   7.3999   0.0000   0.0000   31.139   12.146  ?   ?       ?      ? 
1 1 1   -9   22   29 o   70.509   11.530   36.700   11.016   36.700   11.016   0.0000   0.0000   70.509   11.530  ?   ?       ?      ? 
1 1 1   -9   22   30 o   44.652   12.253   15.403   7.6383   15.403   7.6383   0.0000   0.0000   44.652   12.253  ?   ?       ?      ? 
1 1 1   -9   22   31 o   29.388   8.6196   2.1190   6.0589   7.0840   7.0745 -11.5468   11.737   32.933   12.091   25.844   12.288 7.088404 17.23927 
1 1 1   -9   22   32 o   32.699   9.4323   4.1862   6.0441   2.6239   7.1422   8.1281   11.345   27.936   11.561   37.461   14.907 -9.525976 18.86462 
1 1 1   -9   22   33 o   28.346   8.6876   1.0327   5.7908   1.6461   6.9263  -0.3916   10.555   26.639   11.229   30.053   13.259 -3.413204 17.37514 
1 1 1   -9   22   34 o   29.493   8.9018   2.0871   5.8618   2.2986   6.9848   1.5833   10.780   27.341   11.384   31.646   13.689 -4.305275 17.80359 
1 1 1   -9   22   35 o   23.592   7.8087  -6.4751   5.6409  -8.0544   6.7788  -2.9192   10.172   19.314   9.2265   27.870   12.601 -8.555500 15.61742 
1 1 1   -9   22   36 o   41.385   10.696   10.951   8.4368   20.599   12.195   2.0931   11.685   49.857   15.959   32.913   14.244 16.94429 21.39167 
1 1 1   -9   22   37 o   33.772   9.6161   6.0486   6.3761   6.3261   7.6047   5.3916   11.700   32.295   12.390   35.250   14.710 -2.955795 19.23215 
1 1 1   -9   22   38 o   44.642   10.087   14.205   6.4027   11.231   7.5762   21.636   11.977   38.411   12.602   50.873   15.754 -12.46171 20.17398 
1 1 1   -9   22   39 o   41.737   10.281   13.435   7.5441   18.264   9.8522   6.5895   11.730   47.403   14.212   36.071   14.861 11.33207 20.56299 
1 1 1   -9   22   40 o   39.933   10.413   11.817   7.3756   12.504   9.4639   10.756   11.771   40.339   14.079   39.527   15.347 0.8115005 20.82601 
1 1 1   -9   22   41 o   24.382   8.0974  -7.1729   6.7407  -4.6763   8.5816 -11.1945   10.892   24.265   11.196   24.500   11.701 -0.2346573 16.19490 
1 1 1   -9   22   42 o   27.085   8.6980  -2.7920   6.7247  -3.4701   8.5181  -1.6703   10.956   24.862   11.354   29.308   13.180 -4.446144 17.39594 
1 1 1   -9   22   43 o   32.012   9.4915   1.7119   6.9271  -3.4592   8.7010   10.663   11.447   25.098   11.467   38.926   15.128 -13.82827 18.98296 
1 1 1   -9   22   44 o   41.138   10.404   11.265   7.3382   5.6672   9.1356   21.446   12.320   32.604   13.236   49.671   16.056 -17.06607 20.80853 
1 1 1   -9   22   45 o   43.782   10.587   15.719   7.3589   15.126   9.1814   16.785   12.306   42.925   13.859   44.640   16.009 -1.715248 21.17498 
1 1 1   -9   22   46 o   21.198   10.140  -8.9994   8.2426  -8.9994   8.2426   0.0000   0.0000   21.198   10.140  ?   ?       ?      ? 
1 1 1   -9   22   47 o   21.578   10.300  -8.6966   8.4170  -8.6966   8.4170   0.0000   0.0000   21.578   10.300  ?   ?       ?      ? 
1 1 1   -9   22   48 o   27.043   11.890   0.4762   8.4192   0.4762   8.4192   0.0000   0.0000   27.043   11.890  ?   ?       ?      ? 
1 1 1   -9   22   49 o   23.507   10.862  -3.9768   8.1198  -3.9768   8.1198   0.0000   0.0000   23.507   10.862  ?   ?       ?      ? 
1 1 1   -9   22   50 o   36.829   15.250   9.1016   12.438   9.1016   12.438   0.0000   0.0000   36.829   15.250  ?   ?       ?      ? 
1 1 1   -9   22   51 o   22.806   11.107 -14.3939   11.047 -14.3939   11.047   0.0000   0.0000   22.806   11.107  ?   ?       ?      ? 
1 1 1   -9   22   52 o   27.032   12.742  -6.4985   12.114  -6.4985   12.114   0.0000   0.0000   27.032   12.742  ?   ?       ?      ? 
1 1 1   -9   22   53 o   45.884   16.493   20.784   13.067   20.784   13.067   0.0000   0.0000   45.884   16.493  ?   ?       ?      ? 
1 1 1   -9   22   54 o   34.557   14.829   7.5152   12.456   7.5152   12.456   0.0000   0.0000   34.557   14.829  ?   ?       ?      ? 
1 1 1   -9   22   55 o   33.358   14.464   6.4982   12.092   6.4982   12.092   0.0000   0.0000   33.358   14.464  ?   ?       ?      ? 
1 1 1   -9   22   56 o   27.573   12.811  -2.3127   11.527  -2.3127   11.527   0.0000   0.0000   27.573   12.811  ?   ?       ?      ? 
1 1 1   -9   23    1 o   38.298   9.7834   8.0875   7.3639  -1.9732   10.435   18.069   10.394   28.963   12.955   47.632   14.664 -18.66901 19.56689 
1 1 1   -9   23    2 o   41.941   9.5665   10.907   7.4770  -2.5644   10.628   24.109   10.521   28.856   12.978   55.025   14.058 -26.16948 19.13306 
1 1 1   -9   23    3 o   36.266   9.9427   7.6952   7.0775   4.6337   9.9838   10.788   10.035   33.291   13.713   39.240   14.401 -5.948467 19.88548 
1 1 1   -9   23    4 o   49.380   10.159   18.697   7.5639   27.792   11.204   11.080   10.253   59.092   14.173   39.667   14.557 19.42517 20.31744 
1 1 1   -9   23    5 o   43.851   8.9654   10.989   7.1775   29.163   10.617  -4.3080   9.7405   61.139   13.201   26.562   12.135 34.57610 17.93086 
1 1 1   -9   23    6 o   33.670   9.3527   5.4703   6.1711   2.6254   7.8751   9.9967   9.9334   28.991   12.080   38.349   14.281 -9.357637 18.70547 
1 1 1   -9   23    7 o   58.604   8.9510   26.509   6.8179   26.162   8.8938   27.004   10.617   58.684   11.595   58.524   13.640 0.1596756 17.90208 
1 1 1   -9   23    8 o   35.047   8.9520   7.0886   6.2895   14.122   8.1059  -3.5512   9.9701   42.751   12.908   27.342   12.408 15.40909 17.90409 
1 1 1   -9   23    9 o   43.103   9.8442   15.008   7.0967   19.762   8.5075   4.1325   12.868   50.433   12.509   35.772   15.204 14.66095 19.68836 
1 1 1   -9   23   10 o   64.485   9.2662   31.325   6.7315   30.762   7.6447   33.267   14.203   65.724   8.5833   63.245   16.425 2.479111 18.53244 
1 1 1   -9   23   11 o   36.705   9.9588   8.2025   6.0363   8.0896   6.7787   8.6350   13.266   34.039   11.913   39.372   15.962 -5.332699 19.91762 
1 1 1   -9   23   12 o   43.653   10.097   9.7121   6.0270   5.3643   6.7444   26.949   13.429   30.482   11.674   56.824   16.478 -26.34220 20.19445 
1 1 1   -9   23   13 o   34.832   10.010   6.1087   7.0624   6.9681   8.4601   4.1331   12.828   33.980   13.060   35.683   15.173 -1.703175 20.02023 
1 1 1   -9   23   14 o   30.950   9.4100  -0.0755   6.7115  -3.5370   8.0994   7.5097   11.990   24.439   11.126   37.460   15.179 -13.02132 18.81993 
1 1 1   -9   23   15 f   29.933   9.0020   1.3640   6.6833   6.0625   8.1483  -8.2944   11.683   32.696   12.748   27.170   12.714 5.526237 18.00406 
1 1 1   -9   23   16 o   36.783   9.7106   8.9273   5.9354   9.1332   6.8188   8.2837   12.057   35.459   11.964   38.107   15.299 -2.647442 19.42122 
1 1 1   -9   23   17 o   37.102   9.6083   9.5804   5.9426   10.452   6.8734   7.0000   11.826   37.352   11.984   36.852   15.022 0.5009041 19.21663 
1 1 1   -9   23   18 o   28.659   8.8027   1.1247   5.5747   1.1203   6.3966   1.1385   11.368   25.283   10.732   32.034   13.956 -6.751675 17.60548 
1 1 1   -9   23   19 o   33.846   9.5662   4.5144   5.7895   2.3540   6.6167   11.570   11.958   26.862   11.123   40.830   15.567 -13.96743 19.13237 
1 1 1   -9   23   20 o   50.824   9.3682   13.792   6.2125   6.5630   7.0598   38.606   13.079   32.169   12.028   69.479   14.366 -37.30976 18.73640 
1 1 1   -9   23   21 o   40.771   9.6769   13.117   6.1726   14.984   7.0699   7.1309   12.660   44.032   11.663   37.510   15.445 6.522663 19.35379 
1 1 1   -9   23   22 f   48.931   10.719   14.554   6.5892   10.592   7.3196   31.488   15.132   37.577   12.389   60.285   17.495 -22.70701 21.43729 
1 1 1   -9   23   23 o   35.709   12.362   9.2403   7.2894   9.2403   7.2894   0.0000   0.0000   35.709   12.362  ?   ?       ?      ? 
1 1 1   -9   23   24 o   74.278   8.4401   39.444   8.4956   39.444   8.4956   0.0000   0.0000   74.278   8.4401  ?   ?       ?      ? 
1 1 1   -9   23   25 o   57.826   9.5944   29.180   6.9990   32.574   8.1201   19.371   13.804   67.278   8.9065   48.373   16.997 18.90437 19.18872 
1 1 1   -9   23   26 o   37.958   9.9985   5.8806   6.3862   1.1465   7.3643   20.236   12.824   26.712   11.431   49.204   16.408 -22.49193 19.99694 
1 1 1   -9   23   27 o   40.683   10.059   12.728   6.5383   13.763   7.6034   9.7880   12.809   41.927   12.466   39.438   15.791 2.489494 20.11854 
1 1 1   -9   23   28 o   39.685   10.218   10.259   6.3967   8.2057   7.4099   16.265   12.673   34.302   12.408   45.069   16.237 -10.76727 20.43524 
1 1 1   -9   23   29 o   27.685   8.7888  -0.9596   6.0994  -0.7688   7.0794  -1.5092   12.015   24.573   10.849   30.798   13.830 -6.224747 17.57756 
1 1 1   -9   23   30 o   32.487   9.8824  -0.3513   8.4612 -10.4906   11.978   9.7492   11.955   26.286   12.474   38.688   15.332 -12.40239 19.76479 
1 1 1   -9   23   31 o   32.617   10.034   0.8880   8.4830  -4.8252   11.768   7.0684   12.240   28.600   13.166   36.634   15.145 -8.034092 20.06804 
1 1 1   -9   23   32 o   50.575   10.201   20.048   6.6544   18.804   7.6768   23.810   13.346   48.939   11.729   52.211   16.694 -3.272236 20.40208 
1 1 1   -9   23   33 f   43.835   10.132   14.677   6.3636   13.336   7.4367   18.344   12.297   41.044   12.357   46.626   16.061 -5.581726 20.26453 
1 1 1   -9   23   34 o   32.551   9.6330   4.6167   7.0196   5.5370   8.8791   3.0829   11.463   32.290   13.070   32.813   14.155 -0.5230255 19.26609 
1 1 1   -9   23   35 o   41.005   10.206   13.611   7.2234   16.425   8.9732   8.4322   12.175   44.733   13.597   37.277   15.224 7.456131 20.41219 
1 1 1   -9   23   36 o   40.572   10.418   11.652   7.2058   7.7407   8.9415   18.897   12.171   34.364   13.366   46.780   15.983 -12.41590 20.83527 
1 1 1   -9   23   37 o   36.385   15.308   6.9922   12.832   6.9922   12.832   0.0000   0.0000   36.385   15.308  ?   ?       ?      ? 
1 1 1   -9   23   38 f   44.032   16.634   16.436   13.574   16.436   13.574   0.0000   0.0000   44.032   16.634  ?   ?       ?      ? 
1 1 1   -9   23   39 o   47.500   11.778   20.458   9.4802   17.286   14.007   23.139   12.878   44.591   16.884   50.409   16.425 -5.817398 23.55532 
1 1 1   -9   23   40 f   36.520   10.728   7.9949   8.6384   10.396   13.373   6.2753   11.316   38.686   15.895   34.355   14.411 4.330540 21.45510 
1 1 1   -9   23   41 o   33.476   14.758   3.2091   13.054   3.2091   13.054   0.0000   0.0000   33.476   14.758  ?   ?       ?      ? 
1 1 1   -9   23   42 o   36.766   15.451   8.5362   13.048   8.5362   13.048   0.0000   0.0000   36.766   15.451  ?   ?       ?      ? 
1 1 1   -9   23   43 o   25.182   12.122 -11.8781   12.215 -11.8781   12.215   0.0000   0.0000   25.182   12.122  ?   ?       ?      ? 
1 1 1   -9   23   44 o   31.284   14.193   0.2843   13.034   0.2843   13.034   0.0000   0.0000   31.284   14.193  ?   ?       ?      ? 
1 1 1   -9   23   45 o   31.726   14.130   2.5529   12.270   2.5529   12.270   0.0000   0.0000   31.726   14.130  ?   ?       ?      ? 
1 1 1   -9   23   46 o   28.506   13.197  -2.7252   12.070  -2.7252   12.070   0.0000   0.0000   28.506   13.197  ?   ?       ?      ? 
1 1 1   -9   23   47 o   44.074   16.573   19.524   13.440   19.524   13.440   0.0000   0.0000   44.074   16.573  ?   ?       ?      ? 
1 1 1   -9   23   48 o   48.823   17.011   25.383   13.814   25.383   13.814   0.0000   0.0000   48.823   17.011  ?   ?       ?      ? 
1 1 1   -9   23   49 f   36.767   15.406   11.404   12.910   11.404   12.910   0.0000   0.0000   36.767   15.406  ?   ?       ?      ? 
1 1 1   -9   24    1 o   36.772   9.9386   8.4993   7.2409   2.6844   10.502   13.768   9.9970   31.754   13.621   41.791   14.476 -10.03696 19.87714 
1 1 1   -9   24    2 o   43.583   10.572   15.302   7.5424   14.368   11.075   16.111   10.300   42.652   15.199   44.514   14.698 -1.862045 21.14355 
1 1 1   -9   24    3 o   48.271   9.8622   17.750   7.5080   30.372   11.192   7.4226   10.124   61.215   13.819   35.327   14.074 25.88771 19.72443 
1 1 1   -9   24    4 o   41.606   10.470   13.160   7.4540   16.713   11.114   10.254   10.050   45.186   15.274   38.027   14.325 7.159451 20.94006 
1 1 1   -9   24    5 o   36.136   10.065   7.6060   7.6301   0.6429   11.822   12.578   9.9892   31.799   14.030   40.474   14.434 -8.675129 20.12911 
1 1 1   -9   24    6 o   35.923   14.011   8.2703   9.8454   0.0000   0.0000   8.2703   9.8454  ?   ?    35.923   14.011      ?      ? 
1 1 1   -9   24    7 o   46.554   14.612   17.830   10.264   0.0000   0.0000   17.830   10.264  ?   ?    46.554   14.612      ?      ? 
1 1 1   -9   24    8 o   32.065   9.8970   0.0619   8.4431   7.0345   11.847  -7.1350   12.036   36.321   14.946   27.809   12.977 8.511936 19.79395 
1 1 1   -9   24    9 o   42.730   10.345   11.337   7.0170   5.6709   8.3888   24.538   12.805   32.122   12.807   53.338   16.250 -21.21560 20.69012 
1 1 1   -9   24   10 o   40.187   9.6961   12.611   7.1484   18.581   8.7393   0.5410   12.426   48.034   13.075   32.340   14.321 15.69343 19.39211 
1 1 1   -9   24   11 o   54.188   10.232   24.833   7.4986   26.229   9.1821   22.036   12.993   57.833   12.105   50.543   16.499 7.289436 20.46333 
1 1 1   -9   24   12 o   29.599   9.1066   0.6255   6.4311  -1.3249   7.8389   4.6407   11.248   25.284   11.275   33.913   14.303 -8.628429 18.21317 
1 1 1   -9   24   13 o   34.961   9.8063   6.9233   6.6049   5.3454   8.1073   10.038   11.390   31.469   12.576   38.453   15.050 -6.984192 19.61255 
1 1 1   -9   24   14 o   36.925   9.6908   9.6810   6.7677   13.382   8.4706   3.1481   11.254   41.071   13.317   32.779   14.082 8.291729 19.38157 
1 1 1   -9   24   15 o   32.129   9.4599   2.3128   6.6435  -1.9570   8.1710   10.641   11.411   25.307   11.381   38.951   15.114 -13.64362 18.91975 
1 1 1   -9   24   16 o   22.432   10.549  -6.7451   8.2167  -6.7451   8.2167   0.0000   0.0000   22.432   10.549  ?   ?       ?      ? 
1 1 1   -9   24   17 o   33.905   13.109   7.3819   8.5620   7.3819   8.5620   0.0000   0.0000   33.905   13.109  ?   ?       ?      ? 
1 1 1   -9   24   18 o   25.688   8.4677  -5.4889   6.7585  -5.7407   8.2618  -4.9796   11.750   23.033   10.750   28.343   13.086 -5.310104 16.93543 
1 1 1   -9   24   19 o   24.703   7.9662  -6.4686   6.5282   2.3123   8.3801 -20.0227   10.412   28.820   12.260   20.586   10.175 8.233723 15.93237 
1 1 1   -9   24   20 o   25.173   8.2575  -6.9653   6.5281 -11.4902   8.2693   0.5187   10.635   20.212   9.7894   30.133   13.301 -9.921633 16.51505 
1 1 1   -9   24   21 o   31.994   9.5243   2.9762   6.9125  -0.5761   8.7615   8.8329   11.250   27.013   11.991   36.976   14.801 -9.962946 19.04854 
1 1 1   -9   24   22 o   50.599   10.550   20.321   7.5675   15.313   9.4228   29.418   12.700   43.125   14.049   58.072   15.743 -14.94767 21.10073 
1 1 1   -9   24   23 o   34.150   9.8818   6.4838   7.1023   6.4993   8.9475   6.4573   11.677   33.082   13.215   35.218   14.696 -2.135761 19.76359 
1 1 1   -9   24   24 o   34.034   10.338   4.2976   8.5510   6.0763   12.658   2.8047   11.597   35.602   15.104   32.465   14.120 3.137596 20.67620 
1 1 1   -9   24   25 o   33.847   10.331   4.1092   8.6099   4.7945   12.794   3.5420   11.640   34.755   14.973   32.939   14.236 1.815331 20.66104 
1 1 1   -9   24   26 o   40.944   10.490   13.720   7.4668   14.903   9.4045   11.704   12.282   42.323   14.048   39.564   15.584 2.759544 20.98088 
1 1 1   -9   24   27 o   42.243   10.745   14.681   7.6728   13.607   9.7171   16.459   12.504   40.698   14.262   43.787   16.075 -3.089172 21.48997 
1 1 1   -9   24   28 o   33.416   9.9147   4.9846   7.3357   2.5593   9.2011   9.2153   12.152   29.593   12.724   37.239   15.209 -7.645758 19.82948 
1 1 1   -9   24   29 o   31.795   9.9954   0.9793   8.5820   4.8087   13.062  -1.9294   11.384   34.586   15.014   29.003   13.198 5.583788 19.99078 
1 1 1   -9   24   30 f   40.990   11.195   13.730   9.0763   8.5014   13.753   17.764   12.081   37.331   15.785   44.649   15.878 -7.317234 22.38909 
1 1 1   -9   24   31 o   32.289   9.5284  -7.5904   8.3614   18.625   12.944 -26.3613   10.953   45.178   16.390   19.400   9.7224 25.77839 19.05683 
1 1 1   -9   24   32 o   29.607   9.5013  -3.2132   8.4111   5.7974   12.646 -10.3613   11.264   34.555   14.887   24.659   11.810 9.895916 19.00264 
1 1 1   -9   24   33 o   37.197   10.715   9.9788   8.6556   5.7567   13.333   13.054   11.379   34.837   15.146   39.558   15.161 -4.720940 21.43027 
1 1 1   -9   24   34 o   35.234   10.041   0.9214   8.6329   21.603   13.184 -14.6005   11.422   47.298   16.611   23.170   11.287 24.12781 20.08278 
1 1 1   -9   24   35 o   31.551   9.9129   2.4401   8.5198   0.2219   12.590   4.3143   11.572   30.746   13.948   32.356   14.089 -1.610094 19.82575 
1 1 1   -9   24   36 f   33.223   14.830   3.5979   13.596   3.5979   13.596   0.0000   0.0000   33.223   14.830  ?   ?       ?      ? 
1 1 1   -9   24   37 o   45.797   17.244   21.522   14.561   21.522   14.561   0.0000   0.0000   45.797   17.244  ?   ?       ?      ? 
1 1 1   -9   24   38 o   38.833   15.836   13.139   13.150   13.139   13.150   0.0000   0.0000   38.833   15.836  ?   ?       ?      ? 
1 1 1   -9   24   39 o   36.826   15.652   10.564   13.637   10.564   13.637   0.0000   0.0000   36.826   15.652  ?   ?       ?      ? 
1 1 1   -9   24   40 o   30.731   13.952   1.7323   12.628   1.7323   12.628   0.0000   0.0000   30.731   13.952  ?   ?       ?      ? 
1 1 1   -9   25    1 o   48.010   11.826   21.517   9.4358   18.602   12.769   25.025   14.005   45.108   16.292   50.912   17.147 -5.803558 23.65228 
1 1 1   -9   25    2 o   59.608   11.688   33.216   9.7652   33.125   13.466   33.318   14.182   59.894   16.200   59.322   16.852 0.5724068 23.37535 
1 1 1   -9   25    3 o   25.902   8.6314  -9.3600   7.9859 -17.2006   10.960  -0.4846   11.660   21.880   10.742   29.924   13.514 -8.044142 17.26282 
1 1 1   -9   25    4 o   50.907   10.187   21.020   9.4460   42.609   13.354  -0.5964   13.363   70.324   14.495   31.491   14.319 38.83374 20.37482 
1 1 1   -9   25    5 o   39.129   11.088   11.634   9.0347   8.3069   12.858   14.878   12.698   36.537   15.345   41.720   16.009 -5.182339 22.17572 
1 1 1   -9   25    6 o   44.219   11.414   17.208   8.9028   21.576   13.365   13.724   11.936   47.867   16.729   40.571   15.532 7.295254 22.82828 
1 1 1   -9   25    7 o   47.822   11.534   21.343   9.0143   19.321   13.216   23.101   12.327   45.733   16.566   49.910   16.053 -4.177002 23.06783 
1 1 1   -9   25    8 o   61.044   11.411   34.648   9.6787   30.055   14.153   38.683   13.265   55.897   17.095   66.192   15.120 -10.29486 22.82248 
1 1 1   -9   25    9 o   37.156   15.268   9.5720   12.340   9.5720   12.340   0.0000   0.0000   37.156   15.268  ?   ?       ?      ? 
1 1 1   -9   25   10 o   34.814   14.690   6.8515   11.872   6.8515   11.872   0.0000   0.0000   34.814   14.690  ?   ?       ?      ? 
1 1 1   -9   25   11 o   38.465   15.366   11.406   12.098   11.406   12.098   0.0000   0.0000   38.465   15.366  ?   ?       ?      ? 
1 1 1   -9   25   12 o   33.873   10.181   5.3332   8.2776   9.9926   11.956   1.0443   11.471   37.209   15.129   30.538   13.627 6.671116 20.36121 
1 1 1   -9   25   13 o   35.407   9.5905   1.2652   8.1464   21.934   11.914 -16.8839   11.164   48.627   15.796   22.186   10.882 26.44080 19.18096 
1 1 1   -9   25   14 o   29.836   9.5126  -0.1264   8.1152   1.0400   11.877  -1.1476   11.114   30.850   13.809   28.822   13.087 2.028194 19.02530 
1 1 1   -9   25   15 o   27.372   8.9417  -6.4239   7.9002   3.8494   11.967 -14.3599   10.518   32.621   14.263   22.124   10.789 10.49730 17.88349 
1 1 1   -9   25   16 o   31.020   9.5494   0.1758   8.2634 -11.9236   12.266   10.230   11.182   25.169   12.124   36.871   14.757 -11.70250 19.09875 
1 1 1   -9   25   17 o   30.072   9.3506  -1.8216   8.2171 -15.5339   12.146   9.7499   11.158   23.759   11.588   36.385   14.678 -12.62578 18.70126 
1 1 1   -9   25   18 o   29.914   9.5444   0.1825   8.1724   1.1203   12.083  -0.6083   11.095   30.884   13.869   28.944   13.116 1.939972 19.08882 
1 1 1   -9   25   19 o   26.200   8.6844 -11.2868   7.8379   4.7684   12.287 -22.3034   10.178   33.207   14.487   19.192   9.5813 14.01448 17.36885 
1 1 1   -9   25   20 o   33.812   10.109   4.4480   8.2266   14.153   12.567  -2.8287   10.882   40.238   15.791   27.386   12.626 12.85230 20.21852 
1 1 1   -9   25   21 o   33.518   10.210   5.8375   8.4462   3.7675   12.527   7.5627   11.436   32.592   14.409   34.445   14.470 -1.852577 20.42013 
1 1 1   -9   25   22 o   33.571   10.248   5.3058   8.5681   10.259   12.667   1.1279   11.633   36.933   15.349   30.210   13.584 6.722548 20.49689 
1 1 1   -9   25   23 o   43.555   15.917   18.218   12.240   0.0000   0.0000   18.218   12.240  ?   ?    43.555   15.917      ?      ? 
1 1 1   -9   25   24 o   36.893   15.035   10.895   11.844   0.0000   0.0000   10.895   11.844  ?   ?    36.893   15.035      ?      ? 
1 1 1   -9   25   25 o   28.138   12.977  -1.9768   11.507   0.0000   0.0000  -1.9768   11.507  ?   ?    28.138   12.977      ?      ? 
1 1 1   -9   25   26 o   31.778   13.917   4.5385   11.435   0.0000   0.0000   4.5385   11.435  ?   ?    31.778   13.917      ?      ? 
1 1 1   -9   25   27 o   25.179   11.905  -6.0276   10.724   0.0000   0.0000  -6.0276   10.724  ?   ?    25.179   11.905      ?      ? 
1 1 1   -9   25   28 o   60.984   15.685   36.301   13.036   0.0000   0.0000   36.301   13.036  ?   ?    60.984   15.685      ?      ? 
1 1 1   -9   25   29 o   23.504   11.306  -9.2083   10.577   0.0000   0.0000  -9.2083   10.577  ?   ?    23.504   11.306      ?      ? 
1 1 1   -8    0    1 o  244.513   5.8609  406.575   19.369  404.732   27.356  408.428   27.429  243.954   8.2966  245.071   8.2806 -0.000000 0.000000 
1 1 1   -8    0    2 o  156.902   5.2193  167.940   11.042  167.239   15.612  168.641   15.618  156.570   7.3958  157.234   7.3667 -0.000000 0.000000 
1 1 1   -8    0    3 o  457.904   8.3146  1424.09   51.517  1431.70   73.075  1416.57   72.638  459.123   11.763  456.686   11.755 -0.000000 0.000000 
1 1 1   -8    0    4 o  154.123   5.2382  162.076   10.881  165.471   15.461  158.742   15.318  155.740   7.3632  152.506   7.4524 -0.000000 0.000000 
1 1 1   -8    0    5 o  457.180   8.3148  1419.60   51.436  1412.34   72.558  1426.94   72.927  456.002   11.759  458.357   11.758 -0.000000 0.000000 
1 1 1   -8    0    6 o  163.501   5.3179  182.326   11.724  179.499   16.596  185.143   16.565  162.217   7.5876  164.784   7.4530 -0.000000 0.000000 
1 1 1   -8    0    7 o  250.432   5.9867  426.240   20.255  409.157   28.294  444.199   29.010  245.263   8.5365  255.601   8.3959 -0.000000 0.000000 
1 1 1   -8    0    8 o   69.715   8.1891   34.278   7.4570   0.0000   0.0000   34.278   7.4570   69.715   8.1891   69.715   8.1891 -0.000000 0.000000 
1 1 1   -8    0    9 o  535.611   13.239  1948.50   95.956   0.0000   0.0000  1948.50   95.956  535.611   13.239  535.611   13.239 -0.000000 0.000000 
1 1 1   -8    0   10 o  116.946   5.3864   93.619   8.4393  100.975   12.266   87.008   11.629  121.369   7.5243  112.522   7.7095 -0.000000 0.000000 
1 1 1   -8    0   11 f  485.763   8.7217  1602.79   57.329  1599.86   81.056  1605.71   81.094  485.318   12.343  486.208   12.326 -0.000000 0.000000 
1 1 1   -8    0   12 o  821.644   13.385  4586.42  148.829  4512.78  208.375  4663.11  212.642  814.907   18.892  828.381   18.965 -0.000000 0.000000 
1 1 1   -8    0   13 o  123.850   5.4042  105.162   8.9879  103.996   12.830  106.286   12.595  123.146   7.7589  124.554   7.5248 -0.000000 0.000000 
1 1 1   -8    0   14 o  1272.70   20.063 11017.94  345.456 11341.28  498.304 10718.74  479.345  1290.65   28.522  1254.74   28.223 -0.000000 0.000000 
1 1 1   -8    0   15 o  198.000   5.6730  266.922   15.162  272.363   21.686  261.719   21.208  199.982   8.0314  196.018   8.0143 -0.000000 0.000000 
1 1 1   -8    0   16 o  173.825   7.9115  206.059   18.548  206.059   18.548   0.0000   0.0000  173.825   7.9115  173.825   7.9115 -0.000000 0.000000 
1 1 1   -8    0   17 o  770.325   17.919  4033.98  186.822  4033.98  186.822   0.0000   0.0000  770.325   17.919  770.325   17.919 -0.000000 0.000000 
1 1 1   -8    0   18 o  1335.60   21.049 12164.80  380.524 12275.66  541.593 12056.72  534.757  1341.60   29.823  1329.60   29.713 -0.000000 0.000000 
1 1 1   -8    0   19 o  603.858   10.341  2476.96   84.486  2415.41  117.841  2542.06  121.193  596.132   14.607  611.584   14.642 -0.000000 0.000000 
1 1 1   -8    0   20 o  311.664   6.7003  660.184   28.235  672.068   40.346  648.777   39.527  314.418   9.4888  308.910   9.4624 -0.000000 0.000000 
1 1 1   -8    0   21 o  1012.68   16.222  6983.58  222.324  7097.42  317.903  6874.62  311.037  1020.75   23.009  1004.60   22.874 -0.000000 0.000000 
1 1 1   -8    0   22 o   91.725   5.9980   58.277   7.2950   62.463   10.703   54.644   9.9696   94.869   8.4811   88.582   8.4839 -0.000000 0.000000 
1 1 1   -8    0   23 o  198.131   5.7879  267.102   15.469  279.042   22.375  256.172   21.409  202.387   8.1888  193.875   8.1817 -0.000000 0.000000 
1 1 1   -8    0   24 o  309.899   6.7279  652.967   28.190  637.702   39.680  668.521   40.054  306.224   9.5834  313.573   9.4454 -0.000000 0.000000 
1 1 1   -8    0   25 o  266.910   6.3300  484.524   22.834  490.585   32.642  478.717   31.952  268.545   8.9925  265.275   8.9111 -0.000000 0.000000 
1 1 1   -8    0   26 o  918.858   14.857  5747.96  184.763  5799.98  263.049  5697.30  259.573  922.958   21.056  914.758   20.965 -0.000000 0.000000 
1 1 1   -8    0   27 o  417.276   7.9618  1183.39   44.946  1170.82   63.488  1196.02   63.638  415.045   11.307  419.507   11.212 -0.000000 0.000000 
1 1 1   -8    0   28 o  131.750   5.8889  119.329   10.388  114.695   15.065  123.529   14.343  129.204   8.6944  134.296   7.9450 -0.000000 0.000000 
1 1 1   -8    0   29 o  1466.92   32.607 14692.16  647.462   0.0000   0.0000 14692.16  647.462  1466.92   32.607  1466.92   32.607 -0.000000 0.000000 
1 1 1   -8    0   30 f  1073.07   17.128  7837.56  248.770  7894.90  353.720  7781.44  349.939  1076.95   24.265  1069.19   24.180 -0.000000 0.000000 
1 1 1   -8    0   31 o  214.186   6.0650  312.454   17.534  311.886   25.101  312.995   24.504  213.980   8.6888  214.391   8.4642 -0.000000 0.000000 
1 1 1   -8    0   32 o  457.493   8.5017  1420.36   52.593  1470.93   76.011  1373.92   72.846  465.307   12.073  449.680   11.973 -0.000000 0.000000 
1 1 1   -8    0   33 o  250.546   6.3391  427.174   21.454  414.816   30.308  439.586   30.373  246.885   9.0868  254.207   8.8411 -0.000000 0.000000 
1 1 1   -8    0   34 o  496.413   9.0006  1674.15   60.458  1668.61   85.575  1679.68   85.425  495.588   12.761  497.238   12.696 -0.000000 0.000000 
1 1 1   -8    0   35 o  1005.47   22.834  6875.61  310.760  6875.61  310.760   0.0000   0.0000  1005.47   22.834  1005.47   22.834 -0.000000 0.000000 
1 1 1   -8    0   36 o  727.330   17.177  3594.82  169.087  3594.82  169.087   0.0000   0.0000  727.330   17.177  727.330   17.177 -0.000000 0.000000 
1 1 1   -8    0   37 o  173.667   6.0833  205.889   14.235  208.780   20.285  203.084   19.982  174.876   8.6074  172.458   8.5988 -0.000000 0.000000 
1 1 1   -8    0   38 o  960.410   15.485  6272.53  201.293  6229.32  283.641  6316.37  285.714  957.073   21.896  963.747   21.902 -0.000000 0.000000 
1 1 1   -8    0   39 o  374.027   7.5848  950.522   38.367  962.676   54.827  938.858   53.709  376.370   10.770  371.683   10.683 -0.000000 0.000000 
1 1 1   -8    0   40 o  1248.39   19.765 10616.15  333.987 10606.42  472.406 10625.87  472.253  1247.81   27.969  1248.96   27.934 -0.000000 0.000000 
1 1 1   -8    0   41 o  699.613   11.768  3326.51  111.414  3354.48  158.777  3299.38  156.378  702.508   16.700  696.719   16.584 -0.000000 0.000000 
1 1 1   -8    0   42 o  517.242   9.3303  1817.81   65.296  1834.68   93.206  1801.55   91.502  519.596   13.257  514.888   13.133 -0.000000 0.000000 
1 1 1   -8    0   43 o  811.795   13.366  4481.80  146.854  4429.28  206.601  4535.43  208.781  806.978   18.916  816.611   18.889 -0.000000 0.000000 
1 1 1   -8    0   44 f  271.495   6.7024  500.901   24.572  517.985   35.616  485.382   33.945  275.914   9.5513  267.076   9.4054 -0.000000 0.000000 
1 1 1   -8    0   45 o  335.467   7.2762  765.312   33.000  760.674   47.061  769.798   46.288  334.450   10.406  336.483   10.172 -0.000000 0.000000 
1 1 1   -8    0   46 o  534.231   13.481  1940.08   97.460   0.0000   0.0000  1940.08   97.460  534.231   13.481  534.231   13.481 -0.000000 0.000000 
1 1 1   -8    0   47 o  648.618   15.648  2861.17  137.361   0.0000   0.0000  2861.17  137.361  648.618   15.648  648.618   15.648 -0.000000 0.000000 
1 1 1   -8    0   48 o  395.810   7.9302  1065.21   42.451  1067.45   60.634  1063.06   59.453  396.207   11.314  395.414   11.115 -0.000000 0.000000 
1 1 1   -8    0   49 o  586.134   10.283  2333.37   81.491  2424.21  118.252  2251.22  112.458  596.986   14.637  575.282   14.446 -0.000000 0.000000 
1 1 1   -8    0   50 o  650.316   11.145  2878.26   98.085  2859.57  138.632  2897.00  138.794  648.191   15.804  652.442   15.719 -0.000000 0.000000 
1 1 1   -8    0   51 o  201.885   6.4353  277.200   17.492  293.501   25.704  263.139   23.873  207.415   9.1858  196.355   9.0152 -0.000000 0.000000 
1 1 1   -8    0   52 o  762.574   18.068  3963.79  186.476  3963.79  186.476   0.0000   0.0000  762.574   18.068  762.574   18.068 -0.000000 0.000000 
1 1 1   -8    0   53 o  669.809   16.244  3056.85  147.245  3056.85  147.245   0.0000   0.0000  669.809   16.244  669.809   16.244 -0.000000 0.000000 
1 1 1   -8    0   54 o  406.216   8.0844  1122.98   44.414  1093.23   62.550  1153.24   63.076  400.760   11.539  411.672   11.326 -0.000000 0.000000 
1 1 1   -8    0   55 o  339.837   7.3858  786.094   33.933  791.076   48.564  781.342   47.433  340.878   10.536  338.796   10.353 -0.000000 0.000000 
1 1 1   -8    0   56 o  691.660   11.768  3261.36  110.111  3347.52  158.594  3181.18  152.998  700.463   16.729  682.857   16.556 -0.000000 0.000000 
1 1 1   -8    0   57 o  257.062   6.7604  449.972   23.459  461.541   33.968  439.423   32.438  260.214   9.6631  253.909   9.4571 -0.000000 0.000000 
1 1 1   -8    0   58 o  409.844   8.1658  1143.80   45.259  1155.84   64.886  1132.40   63.161  411.930   11.645  407.758   11.451 -0.000000 0.000000 
1 1 1   -8    0   59 o  499.232   9.2346  1696.14   62.322  1761.80   90.511  1636.95   85.940  508.401   13.157  490.063   12.961 -0.000000 0.000000 
1 1 1   -8    0   60 o   60.127   11.693   31.148   8.5864   19.716   12.377   41.754   11.922   44.915   19.583   75.340   12.782 -0.000000 0.000000 
1 1 1   -8    0   61 o  337.795   7.4458  777.803   33.998  756.446   48.114  799.100   48.047  333.121   10.683  342.469   10.374 -0.000000 0.000000 
1 1 1   -8    0   62 o  227.090   9.2427  351.979   28.336   0.0000   0.0000  351.979   28.336  227.090   9.2427  227.090   9.2427 -0.000000 0.000000 
1 1 1   -8    0   63 o  302.714   10.015  624.761   40.980   0.0000   0.0000  624.761   40.980  302.714   10.015  302.714   10.015 -0.000000 0.000000 
1 1 1   -8    0   64 o  509.625   9.4466  1768.89   65.047  1854.31   95.118  1693.85   89.152  521.141   13.489  498.109   13.229 -0.000000 0.000000 
1 1 1   -8    0   65 o  274.551   7.0208  513.666   26.008  527.566   37.971  501.382   35.696  278.022   10.109  271.079   9.7458 -0.000000 0.000000 
1 1 1   -8    0   66 o   72.599   11.210   41.791   9.4363   32.569   13.740   50.024   12.982   62.072   18.731   83.127   12.320 -0.000000 0.000000 
1 1 1   -8    0   67 o  182.293   6.8286  227.592   16.739  231.831   24.396  223.822   23.009  183.864   9.8558  180.721   9.4543 -0.000000 0.000000 
1 1 1   -8    0   69 o  114.308   13.965   93.067   20.770   93.067   20.770   0.0000   0.0000  114.308   13.965  114.308   13.965 -0.000000 0.000000 
1 1 1   -8    0   70 o  411.096   12.005  1154.94   66.749  1154.94   66.749   0.0000   0.0000  411.096   12.005  411.096   12.005 -0.000000 0.000000 
1 1 1   -8    0   71 o  356.380   7.7862  866.685   37.492  890.052   54.349  845.470   51.786  360.938   11.136  351.822   10.886 -0.000000 0.000000 
1 1 1   -8    0   72 o   35.943   13.682   12.518   9.2013   14.655   13.744   10.782   12.387   38.237   20.071   33.650   18.599 -0.000000 0.000000 
1 1 1   -8    0   73 o   75.776   11.781   44.848   10.504   41.429   15.474   47.769   14.304   71.647   18.439   79.905   14.669 -0.000000 0.000000 
1 1 1   -8    0   74 o  105.789   8.4990   78.604   11.718   87.893   17.546   71.124   15.744  111.615   11.946   99.963   12.093 -0.000000 0.000000 
1 1 1   -8    0   75 f   59.857   12.979   32.321   9.9514   20.004   14.525   43.218   13.661   44.336   21.133   75.378   15.073 -0.000000 0.000000 
1 1 1   -8    0   76 o  186.689   7.0846  239.760   17.774  239.095   25.886  240.354   24.448  186.356   10.323  187.021   9.7060 -0.000000 0.000000 
1 1 1   -8    0   77 o  382.419   11.352  1002.85   58.711   0.0000   0.0000  1002.85   58.711  382.419   11.352  382.419   11.352 -0.000000 0.000000 
1 1 1   -8    0   78 o   94.467   9.4010   64.542   11.328   68.721   16.577   60.880   15.516   97.507   13.233   91.427   13.357 -0.000000 0.000000 
1 1 1   -8    0   79 o  307.916   7.4473  650.816   30.980  662.549   44.594  639.870   43.071  310.570   10.624  305.262   10.440 -0.000000 0.000000 
1 1 1   -8    0   80 o  183.041   7.1136  230.576   17.491  245.581   25.696  217.622   23.875  188.598   10.121  177.484   9.9992 -0.000000 0.000000 
1 1 1   -8    0   81 o  137.848   7.6573  132.549   14.085  138.222   20.529  127.503   19.360  140.642   10.923  135.054   10.734 -0.000000 0.000000 
1 1 1   -8    0   82 o   21.243   14.288  -4.4154   11.725  -4.4154   11.725   0.0000   0.0000   21.243   14.288   21.243   14.288 -0.000000 0.000000 
1 1 1   -8    0   83 o   53.868   13.697   26.923   9.1962   24.498   12.840   29.476   13.177   50.440   19.676   57.297   19.059 -0.000000 0.000000 
1 1 1   -8    0   84 o  146.236   7.3459  149.462   14.383  153.875   20.667  145.316   20.031  148.354   10.397  144.117   10.380 -0.000000 0.000000 
1 1 1   -8    0   85 o  138.104   7.3770  133.973   13.595  123.916   19.091  144.321   19.364  132.590   10.789  143.617   10.063 -0.000000 0.000000 
1 1 1   -8    0   86 o   22.469   10.121  -5.3961   7.8619   8.6452   10.913 -20.5437   11.335   29.945   17.102   14.992   10.828 -0.000000 0.000000 
1 1 1   -8    0   87 o   32.818   12.854   11.109   8.4170   9.8634   12.020   12.307   11.791   31.548   17.976   34.088   18.379 -0.000000 0.000000 
1 1 1   -8    0   88 o   43.963   12.654   18.880   8.6589   8.6424   12.073   29.726   12.426   30.261   17.679   57.665   18.110 -0.000000 0.000000 
1 1 1   -8    0   89 o   22.441   14.671  -0.2755   10.998   0.0000   0.0000  -0.2755   10.998   22.441   14.671   22.441   14.671 -0.000000 0.000000 
1 1 1   -8    0   90 o   27.155   16.433   6.0219   11.139   0.0000   0.0000   6.0219   11.139   27.155   16.433   27.155   16.433 -0.000000 0.000000 
1 1 1   -8    0   91 o   30.586   17.447   9.6459   11.340   0.0000   0.0000   9.6459   11.340   30.586   17.447   30.586   17.447 -0.000000 0.000000 
1 1 1   -8    0   92 o  100.736   11.731   74.540   15.447   0.0000   0.0000   74.540   15.447  100.736   11.731  100.736   11.731 -0.000000 0.000000 
1 1 1   -8    0   93 o   78.931   14.845   49.157   14.237   0.0000   0.0000   49.157   14.237   78.931   14.845   78.931   14.845 -0.000000 0.000000 
1 1 1   -8    1    1 o  1484.51   18.953 15004.98  330.045 15006.09  381.139 15001.65  659.906  1486.41   18.922  1482.62   32.845 3.784180 37.90553 
1 1 1   -8    1    2 o  762.904   10.207  3981.35   92.071  4015.83  106.964  3882.74  180.884  769.592   10.256  756.217   17.651 13.37488 20.41458 
1 1 1   -8    1    3 o  967.359   13.361  6281.53  163.625  6152.67  197.714  6561.61  291.489  952.185   15.323  982.533   21.892 -30.34845 26.72187 
1 1 1   -8    1    4 o  337.107   5.8995  772.391   25.488  776.687   31.361  764.030   43.748  338.517   6.8363  335.697   9.6167 2.819794 11.79897 
1 1 1   -8    1    5 o  970.360   13.409  6363.36  165.623  6303.62  201.668  6487.15  290.290  963.783   15.441  976.938   21.927 -13.15411 26.81839 
1 1 1   -8    1    6 f  781.799   11.046  4156.73  110.561  4174.72  135.846  4121.42  190.276  784.518   12.778  779.079   18.023 5.439880 22.09284 
1 1 1   -8    1    7 o  1485.29   23.191 15001.46  466.789 15001.46  466.789   0.0000   0.0000  1485.29   23.191  ?   ?       ?      ? 
1 1 1   -8    1    8 o  1466.82   16.206 14630.37  322.135 14679.82  456.603 14581.36  454.539  1469.29   22.932  1464.36   22.906 4.929321 32.41229 
1 1 1   -8    1    9 o  833.904   9.5608  4717.72  108.041  4737.95  153.191  4697.70  152.398  835.682   13.527  832.126   13.515 3.556091 19.12151 
1 1 1   -8    1   10 o  188.423   4.7878  241.010   11.492  239.544   19.990  241.733   14.045  187.984   7.8472  188.862   5.4876 -0.8784637 9.575590 
1 1 1   -8    1   11 f  495.764   7.6457  1658.22   48.244  1691.68   84.600  1642.09   58.730  499.379   12.501  492.149   8.8060 7.229858 15.29149 
1 1 1   -8    1   12 o  1272.82   14.147 11010.08  243.992 11111.00  347.253 10911.68  342.904  1278.57   20.042  1267.06   19.971 11.50574 28.29312 
1 1 1   -8    1   13 o  503.033   6.3133  1715.41   43.033  1737.01   61.290  1694.41   60.435  506.155   8.9356  499.911   8.9210 6.244019 12.62651 
1 1 1   -8    1   14 o  1350.98   14.986 12407.67  274.279 12690.50  393.856 12141.35  382.186  1365.90   21.278  1336.06   21.109 29.83862 29.97247 
1 1 1   -8    1   15 f  1005.91   13.926  6920.16  179.838  6755.65  306.463  7006.56  222.099  996.152   22.702  1015.67   16.137 -19.52148 27.85285 
1 1 1   -8    1   16 o  160.444   4.7281  175.720   9.7095  170.753   16.632  178.288   11.959  158.700   7.7339  162.188   5.4410 -3.488617 9.456100 
1 1 1   -8    1   17 o  1124.28   15.459  8570.17  221.096  8496.00  269.148  8724.09  387.712  1117.83   17.768  1130.73   25.303 -12.89246 30.91806 
1 1 1   -8    1   18 f  681.510   8.0612  3151.72   74.446  3127.98  104.717  3175.97  105.856  678.918   11.382  684.102   11.419 -5.184570 16.12249 
1 1 1   -8    1   19 o  427.092   5.6607  1236.95   32.762  1231.29   46.241  1242.65   46.425  426.112   8.0080  428.073   8.0030 -1.961090 11.32145 
1 1 1   -8    1   20 o  408.501   5.5009  1131.63   30.452  1129.53   43.021  1133.73   43.110  408.122   7.7787  408.881   7.7803 -0.7581787 11.00188 
1 1 1   -8    1   21 o  290.937   4.5867  573.873   18.084  576.501   25.618  571.263   25.530  291.601   6.4829  290.273   6.4904 1.327911 9.173483 
1 1 1   -8    1   22 o  418.098   5.5904  1185.41   31.672  1169.99   44.479  1201.27   45.109  415.341   7.9026  420.855   7.9095 -5.514709 11.18084 
1 1 1   -8    1   23 o  372.978   5.2183  943.215   26.373  927.483   37.010  959.445   37.591  369.819   7.3849  376.138   7.3748 -6.318665 10.43666 
1 1 1   -8    1   24 o  550.221   6.7954  2053.94   50.664  2026.65   71.093  2082.10   72.219  546.509   9.5994  553.933   9.6208 -7.423889 13.59078 
1 1 1   -8    1   25 f  313.047   4.7707  664.433   20.238  658.447   28.496  670.525   28.747  311.625   6.7478  314.470   6.7458 -2.845337 9.541416 
1 1 1   -8    1   26 o  302.722   4.7052  621.235   19.301  612.345   27.106  630.379   27.489  300.525   6.6558  304.918   6.6525 -4.393402 9.410366 
1 1 1   -8    1   27 o  988.269   11.199  6639.00  149.962  6557.27  210.324  6723.52  213.878  982.090   15.804  994.448   15.871 -12.35791 22.39724 
1 1 1   -8    1   28 o  910.514   20.799  5647.50  256.629   0.0000   0.0000  5647.50  256.629  ?   ?   910.514   20.799      ?      ? 
1 1 1   -8    1   29 o  772.433   12.714  4057.38  133.082  4032.09  187.652  4082.96  188.766  770.011   17.983  774.854   17.977 -4.843445 25.42798 
1 1 1   -8    1   30 o  568.075   6.9913  2188.62   53.818  2171.45   75.748  2206.12   76.478  565.825   9.8789  570.324   9.8954 -4.498291 13.98256 
1 1 1   -8    1   31 o  677.646   8.0450  3115.23   73.877  3117.72  104.516  3112.73  104.440  677.917   11.377  677.375   11.378 0.5422974 16.08993 
1 1 1   -8    1   32 o  504.149   6.4041  1723.40   43.752  1720.44   61.791  1726.38   61.960  503.714   9.0523  504.583   9.0614 -0.8682861 12.80828 
1 1 1   -8    1   33 o  279.602   4.6204  529.804   17.505  521.011   24.576  538.858   24.940  277.247   6.5411  281.956   6.5273 -4.708771 9.240746 
1 1 1   -8    1   34 o  864.319   9.9241  5069.61  116.231  5123.84  165.478  5016.79  163.295  868.880   14.054  859.759   14.016 9.120728 19.84821 
1 1 1   -8    1   35 o  749.802   12.437  3817.18  126.332  3736.21  176.085  3903.07  181.354  741.620   17.521  757.984   17.656 -16.36456 24.87380 
1 1 1   -8    1   36 o  882.925   12.425  5318.22  140.687  5225.70  240.689  5366.23  173.391  876.690   20.259  889.159   14.390 -12.46954 24.84998 
1 1 1   -8    1   37 o  578.329   7.1143  2268.17   55.755  2261.39   78.648  2275.01   79.053  577.461   10.050  579.197   10.072 -1.736145 14.22857 
1 1 1   -8    1   38 o  206.302   4.3414  288.500   12.136  291.785   17.121  285.182   17.205  207.484   6.0893  205.121   6.1895 2.362198 8.682765 
1 1 1   -8    1   39 o  619.201   7.5139  2600.32   63.045  2630.75   89.717  2570.64   88.612  622.779   10.631  615.623   10.622 7.155579 15.02772 
1 1 1   -8    1   40 o  550.136   6.8689  2052.58   51.208  2056.83   72.474  2048.35   72.365  550.705   9.7114  549.568   9.7169 1.137085 13.73787 
1 1 1   -8    1   41 o  344.093   5.1356  802.630   23.946  812.914   34.026  792.539   33.706  346.277   7.2511  341.909   7.2747 4.367767 10.27127 
1 1 1   -8    1   42 o  506.621   6.4868  1740.56   44.532  1720.21   62.586  1761.42   63.376  503.623   9.1704  509.618   9.1770 -5.995483 12.97353 
1 1 1   -8    1   43 o  809.503   9.4021  4449.48  103.136  4485.77  146.572  4413.90  145.151  812.770   13.308  806.236   13.285 6.534119 18.80413 
1 1 1   -8    1   44 o  1060.41   11.986  7647.89  172.235  7701.92  244.695  7594.83  242.474  1064.12   16.969  1056.70   16.933 7.415161 23.97214 
1 1 1   -8    1   45 o  282.198   4.7748  539.930   18.260  542.647   25.848  537.224   25.798  282.907   6.7422  281.490   6.7630 1.417725 9.549619 
1 1 1   -8    1   46 o  423.302   8.1350  1216.26   46.660  1194.36   65.467  1238.88   66.519  419.429   11.518  427.176   11.491 -7.746490 16.26991 
1 1 1   -8    1   47 o  273.494   5.7075  497.001   19.957  477.399   24.241  538.233   35.158  265.340   6.7417  281.648   9.2116 -16.30817 11.41503 
1 1 1   -8    1   48 o  328.839   5.0994  733.357   22.724  738.191   32.224  728.577   32.048  329.917   7.2077  327.761   7.2155 2.155853 10.19877 
1 1 1   -8    1   49 o  199.963   4.5098  271.109   12.219  265.029   17.181  277.333   17.382  197.694   6.4130  202.232   6.3424 -4.538773 9.019588 
1 1 1   -8    1   50 o  435.157   5.9117  1284.88   34.859  1302.28   49.596  1267.89   49.006  438.068   8.3546  432.245   8.3663 5.822723 11.82347 
1 1 1   -8    1   51 o  408.895   5.7184  1134.15   31.678  1112.41   44.192  1157.14   45.433  404.867   8.0546  412.923   8.1194 -8.055328 11.43682 
1 1 1   -8    1   52 o  328.009   7.3238  731.138   32.552  738.385   45.962  723.845   46.110  329.646   10.289  326.372   10.425 3.274048 14.64759 
1 1 1   -8    1   53 o  328.549   6.3043  732.295   26.377  735.487   46.022  730.733   32.188  328.951   10.324  328.147   7.2384 0.8037720 12.60870 
1 1 1   -8    1   54 o  510.743   6.5713  1772.41   45.482  1775.39   64.358  1769.43   64.283  511.173   9.2908  510.313   9.2957 0.8605042 13.14258 
1 1 1   -8    1   55 o  124.501   4.7773  105.210   8.0542  110.443   11.443  100.070   11.339  127.574   6.6189  121.427   6.8907 6.146454 9.554701 
1 1 1   -8    1   56 o  292.174   4.9163  579.309   19.463  568.292   27.266  590.755   27.791  289.343   6.9538  295.006   6.9517 -5.663300 9.832668 
1 1 1   -8    1   57 o  150.445   4.6575  153.629   9.4911  159.779   13.490  147.600   13.356  153.431   6.4879  147.460   6.6839 5.971115 9.314920 
1 1 1   -8    1   58 o  381.662   5.5313  989.593   28.608  994.312   40.546  984.915   40.370  382.568   7.8210  380.756   7.8240 1.812439 11.06266 
1 1 1   -8    1   59 o  291.342   4.9428  576.407   19.514  580.191   27.680  572.669   27.515  292.292   6.9883  290.391   6.9920 1.901337 9.885569 
1 1 1   -8    1   60 o  672.781   8.1472  3086.49   74.271  3130.20  105.945  3044.24  104.148  677.457   11.540  668.105   11.503 9.352173 16.29431 
1 1 1   -8    1   61 o  163.279   4.6766  181.079   10.346  178.883   14.686  183.243   14.578  162.292   6.6778  164.266   6.5490 -1.973389 9.353157 
1 1 1   -8    1   62 o  214.762   5.6314  311.242   15.539  321.082   26.800  306.258   19.073  217.182   9.1059  212.341   6.6283 4.841660 11.26288 
1 1 1   -8    1   63 o  143.523   5.7957  143.026   10.717  150.292   13.434  130.305   17.774  148.737   6.6652  138.308   9.4834 10.42911 11.59135 
1 1 1   -8    1   64 o  178.930   5.6497  219.613   13.123  224.350   16.457  211.340   21.749  181.710   6.6831  176.150   9.1110 5.559082 11.29931 
1 1 1   -8    1   65 o  269.403   6.1034  496.364   20.880  487.930   36.420  500.494   25.484  267.455   10.049  271.351   6.9304 -3.896027 12.20682 
1 1 1   -8    1   66 o  127.524   5.0967  110.764   8.7875  102.212   12.435  119.295   12.420  122.581   7.4858  132.467   6.9186 -9.886169 10.19336 
1 1 1   -8    1   67 o  330.775   6.5382  740.871   27.337  731.895   33.059  760.281   48.615  327.994   7.4377  333.557   10.755 -5.562775 13.07646 
1 1 1   -8    1   68 o  291.091   6.2330  567.143   23.041  607.326   41.018  548.619   27.850  298.204   10.150  283.977   7.2369 14.22751 12.46609 
1 1 1   -8    1   69 o  538.545   7.0002  1980.56   51.083  1994.08   72.807  1967.46   71.692  540.336   9.9432  536.755   9.8562 3.580627 14.00046 
1 1 1   -8    1   70 f  157.160   4.9990  168.037   10.637  177.727   15.172  158.669   14.918  161.629   6.9269  152.692   7.2095 8.937393 9.997907 
1 1 1   -8    1   71 f  131.009   5.1920  116.877   9.2150  119.913   13.021  113.830   13.044  132.723   7.2393  129.296   7.4444 3.427490 10.38398 
1 1 1   -8    1   72 o  231.283   5.8294  357.650   17.313  386.876   30.207  343.352   21.127  237.967   9.3671  224.599   6.9416 13.36823 11.65882 
1 1 1   -8    1   73 o  153.144   6.0330  158.520   12.030  165.683   20.209  154.589   14.972  155.651   9.5809  150.637   7.3343 5.013443 12.06591 
1 1 1   -8    1   74 o  101.767   7.7784   76.801   9.5418   86.081   11.608   57.465   16.755  112.356   7.6238   91.177   13.561 21.17899 15.55688 
1 1 1   -8    1   75 o  241.864   4.9253  398.666   16.143  403.310   22.888  394.070   22.770  243.270   6.9428  240.458   6.9879 2.812119 9.850579 
1 1 1   -8    1   76 o  338.819   6.6205  789.418   28.772  778.937   49.208  794.863   35.467  336.462   10.792  341.175   7.6712 -4.712250 13.24100 
1 1 1   -8    1   77 o  318.297   7.4376  697.598   32.076  714.566   45.672  681.081   45.060  322.143   10.462  314.450   10.574 7.692932 14.87526 
1 1 1   -8    1   78 o  161.995   6.0989  180.822   12.652  182.572   15.580  177.433   21.678  163.482   7.0327  160.508   9.9665 2.973465 12.19790 
1 1 1   -8    1   79 o   95.815   6.0994   62.966   7.8953   56.432   10.946   70.051   11.399   90.597   8.9160  101.032   8.3255 -10.43542 12.19875 
1 1 1   -8    1   80 o  206.024   4.9218  290.520   13.740  294.113   19.383  286.892   19.480  207.323   6.8991  204.726   7.0214 2.596939 9.843643 
1 1 1   -8    1   81 o  128.051   6.6471  114.451   10.755  116.464   13.113  110.315   18.801  130.272   7.4280  125.831   11.026 4.440804 13.29427 
1 1 1   -8    1   82 f  209.716   6.0617  301.495   16.235  310.425   28.289  297.110   19.824  211.369   9.8763  208.064   7.0309 3.304413 12.12332 
1 1 1   -8    1   83 o  105.308   5.8994   76.777   8.3994   74.931   12.209   78.435   11.573  104.023   8.6612  106.593   8.0121 -2.569733 11.79871 
1 1 1   -8    1   84 o  131.850   5.2272  119.959   9.3354  116.734   13.269  123.120   13.136  130.051   7.5293  133.649   7.2530 -3.598007 10.45448 
1 1 1   -8    1   85 o   70.816   7.1072   35.252   6.8180   34.328   9.6661   36.167   9.6185   69.852   10.212   71.781   9.8881 -1.929359 14.21442 
1 1 1   -8    1   86 o   83.700   6.3981   49.215   7.2160   43.322   10.194   55.133   10.215   78.496   9.5838   88.904   8.4792 -10.40760 12.79628 
1 1 1   -8    1   87 o   35.175   9.3110   6.4449   6.6672   12.419   8.2603  -4.7214   11.293   41.242   13.128   29.108   13.207 12.13454 18.62195 
1 1 1   -8    1   88 o   44.646   9.2339   15.017   5.9969   17.559   8.4741   12.468   8.4877   48.086   12.784   41.206   13.328 6.880341 18.46778 
1 1 1   -8    1   89 o   51.214   8.7027   22.061   7.2616   1.0086   12.050   34.066   9.0995   33.314   14.442   69.113   9.7156 -35.79936 17.40550 
1 1 1   -8    1   90 o   71.601   9.9812   39.644   9.4527   29.076   13.111   51.082   13.641   59.977   15.881   83.225   12.095 -23.24773 19.96231 
1 1 1   -8    1   91 o  106.708   7.8857   83.236   11.393   79.408   15.734   87.455   16.519  104.136   11.149  109.281   11.155 -5.144760 15.77139 
1 1 1   -8    1   92 o   45.564   11.174   16.174   8.4227   15.548   11.746   16.836   12.085   44.864   15.683   46.264   15.922 -1.400360 22.34881 
1 1 1   -8    1   93 o   82.602   12.944   51.906   14.489   51.906   14.489   0.0000   0.0000   82.602   12.944  ?   ?       ?      ? 
1 1 1   -8    2    1 o  358.534   5.0067  870.873   24.319  846.172   33.974  896.832   34.828  353.322   7.0956  363.746   7.0655 -10.42355 10.01344 
1 1 1   -8    2    2 o  1111.61   12.438  8389.69  187.344  8266.64  262.300  8517.84  267.671  1103.30   17.544  1119.92   17.637 -16.62366 24.87686 
1 1 1   -8    2    3 o  520.146   7.4599  1864.91   46.188  1899.24   53.990  1771.20   89.198  529.326   7.5268  510.966   12.882 18.35953 14.91971 
1 1 1   -8    2    4 o  1558.82   19.887 16587.66  364.278 16616.05  421.239 16503.44  725.425  1563.72   19.879  1553.91   34.450 9.804321 39.77349 
1 1 1   -8    2    5 o  523.564   6.4774  1858.35   45.955  1874.81   65.352  1842.25   64.635  525.857   9.1708  521.272   9.1499 4.584778 12.95473 
1 1 1   -8    2    6 o  1145.31   12.797  8906.51  198.572  9065.14  284.181  8755.16  277.582  1155.26   18.152  1135.35   18.042 19.90637 25.59314 
1 1 1   -8    2    7 o  357.651   5.0103  866.995   24.282  873.404   34.468  860.680   34.215  358.963   7.0857  356.338   7.0855 2.624359 10.02052 
1 1 1   -8    2    8 o  543.472   6.6742  2002.51   49.152  2019.44   69.853  1985.90   69.175  545.747   9.4453  541.197   9.4322 4.550293 13.34837 
1 1 1   -8    2    9 o  942.866   10.677  6034.23  136.421  6005.15  192.334  6063.68  193.528  940.581   15.090  945.151   15.110 -4.570374 21.35421 
1 1 1   -8    2   10 o  273.027   5.3981  499.584   18.684  521.457   33.198  489.445   22.603  277.329   8.8336  268.725   6.2070 8.604218 10.79630 
1 1 1   -8    2   11 o  544.266   8.2205  2001.38   56.923  2032.70   99.787  1986.28   69.305  547.304   13.454  541.228   9.4493 6.076233 16.44108 
1 1 1   -8    2   12 o  532.807   8.0464  1921.76   54.778  1937.51   95.046  1913.92   67.030  534.338   13.126  531.276   9.3103 3.062317 16.09277 
1 1 1   -8    2   13 o  856.420   12.000  4988.91  131.493  4965.34  226.746  5000.85  161.405  854.512   19.581  858.328   13.877 -3.816528 23.99958 
1 1 1   -8    2   14 o  992.242   13.725  6660.73  173.305  6799.61  303.970  6593.85  210.949  999.231   22.448  985.253   15.800 13.97821 27.45094 
1 1 1   -8    2   15 o  120.772   3.8121   98.877   6.2366   95.484   8.8026  102.297   8.8374  118.691   5.4728  122.854   5.3082 -4.163109 7.624238 
1 1 1   -8    2   16 o  245.598   4.2723  408.711   14.216  398.068   19.890  419.825   20.325  242.331   6.0569  248.866   6.0269 -6.534866 8.544506 
1 1 1   -8    2   17 o  187.973   4.8904  234.714   11.650  226.386   14.042  253.099   20.865  182.751   5.6701  193.195   7.9695 -10.44373 9.780773 
1 1 1   -8    2   18 o  680.175   8.0379  3137.87   74.060  3226.74  106.522  3054.72  103.037  689.487   11.401  670.864   11.334 18.62347 16.07585 
1 1 1   -8    2   19 o  621.326   7.4621  2618.81   62.817  2675.49   89.947  2564.86   87.765  627.883   10.571  614.768   10.535 13.11469 14.92427 
1 1 1   -8    2   20 o  596.978   7.2325  2418.48   58.509  2407.32   82.503  2429.78   82.988  595.593   10.222  598.364   10.235 -2.770386 14.46494 
1 1 1   -8    2   21 o   89.040   4.1975   53.745   5.0644   52.906   7.1386   54.595   7.1858   88.340   5.9631   89.740   5.9090 -1.399994 8.394916 
1 1 1   -8    2   22 o  425.530   5.6674  1228.08   32.680  1217.53   46.006  1238.83   46.430  423.684   8.0129  427.375   8.0169 -3.690918 11.33479 
1 1 1   -8    2   23 o  404.204   5.4903  1108.06   30.073  1113.14   42.591  1103.00   42.469  405.128   7.7579  403.279   7.7711 1.849548 10.98065 
1 1 1   -8    2   24 o  329.563   4.9022  736.210   21.889  756.149   31.261  717.031   30.659  333.940   6.9081  325.186   6.9574 8.754333 9.804418 
1 1 1   -8    2   25 o  152.826   4.0135  158.251   8.3074  151.117   11.624  165.701   11.878  149.305   5.7449  156.346   5.6061 -7.040527 8.026930 
1 1 1   -8    2   26 o  741.479   8.6698  3732.74   87.113  3716.61  122.866  3749.05  123.531  739.869   12.254  743.089   12.267 -3.220093 17.33957 
1 1 1   -8    2   27 o  1234.65   13.788 10377.80  230.685 10346.31  325.552 10409.56  326.928  1232.78   19.487  1236.53   19.510 -3.755371 27.57556 
1 1 1   -8    2   28 o  457.631   8.4319  1421.35   52.289  1415.61   74.171  1427.02   73.726  456.708   11.984  458.553   11.864 -1.845459 16.86380 
1 1 1   -8    2   29 f  343.555   7.1084  798.844   33.046  741.985   45.660  861.390   47.889  330.740   10.188  356.370   9.9163 -25.63004 14.21685 
1 1 1   -8    2   30 o  713.847   8.4082  3457.08   81.334  3492.06  115.713  3422.92  114.346  717.415   11.902  710.279   11.880 7.135559 16.81650 
1 1 1   -8    2   31 f  569.086   7.0059  2195.39   54.017  2244.06   77.355  2149.06   75.465  575.240   9.9233  562.933   9.8925 12.30719 14.01186 
1 1 1   -8    2   32 o  1019.51   11.524  7058.27  159.210  7118.81  226.431  6999.07  223.903  1023.83   16.320  1015.19   16.275 8.640442 23.04863 
1 1 1   -8    2   33 o  502.681   6.3999  1713.10   43.593  1736.07   62.062  1690.73   61.246  506.007   9.0508  499.355   9.0508 6.651917 12.79979 
1 1 1   -8    2   34 o  834.762   11.848  4772.03  127.013  4859.58  157.162  4607.18  215.656  846.216   13.705  823.307   19.329 22.90863 23.69503 
1 1 1   -8    2   35 o  570.640   10.010  2197.73   77.190  2401.15  114.254  2026.92  104.696  594.794   14.175  546.485   14.137 48.30981 20.01991 
1 1 1   -8    2   36 f  669.306   7.9961  3033.46   72.461  3167.72  105.188  2912.22   99.961  683.373   11.359  655.240   11.258 28.13257 15.99227 
1 1 1   -8    2   37 o  892.354   10.223  5405.25  123.621  5432.14  175.329  5378.66  174.328  894.561   14.463  890.148   14.452 4.413452 20.44594 
1 1 1   -8    2   38 o  797.621   9.2627  4317.45  100.119  4308.90  141.377  4326.06  141.804  796.829   13.093  798.413   13.106 -1.583923 18.52549 
1 1 1   -8    2   39 f  393.102   5.4983  1047.36   29.285  1069.38   41.811  1026.16   41.032  397.157   7.7686  389.047   7.7828 8.109772 10.99650 
1 1 1   -8    2   40 o  892.313   10.237  5401.95  123.722  5565.81  178.337  5249.90  171.786  905.339   14.536  879.286   14.417 26.05292 20.47306 
1 1 1   -8    2   41 o  517.028   6.5776  1812.11   46.074  1858.39   66.025  1768.17   64.325  523.459   9.3078  510.596   9.2965 12.86380 13.15524 
1 1 1   -8    2   42 o  422.439   5.7769  1209.33   33.060  1248.84   47.431  1172.01   46.104  429.145   8.1560  415.734   8.1835 13.41107 11.55380 
1 1 1   -8    2   43 o  451.410   6.0172  1381.85   36.807  1400.50   52.329  1363.58   51.780  454.425   8.4976  448.396   8.5215 6.029541 12.03439 
1 1 1   -8    2   44 o  448.126   5.9882  1361.88   36.363  1347.76   51.124  1376.33   51.731  445.777   8.4630  450.476   8.4741 -4.699127 11.97634 
1 1 1   -8    2   45 o  507.746   7.9708  1744.22   51.657  1767.24   89.921  1732.88   63.111  510.084   13.009  505.408   9.2147 4.675964 15.94167 
1 1 1   -8    2   46 o  215.411   5.6709  328.163   15.696  367.684   20.065  265.861   25.193  232.875   6.3583  197.947   9.3919 34.92775 11.34178 
1 1 1   -8    2   47 o  648.699   9.5718  2855.40   79.348  2845.66   97.135  2874.94  137.563  647.377   11.072  650.022   15.617 -2.645264 19.14365 
1 1 1   -8    2   48 f  902.365   10.376  5539.32  126.878  5585.23  180.337  5494.32  178.541  906.064   14.687  898.666   14.661 7.397461 20.75226 
1 1 1   -8    2   49 o  872.602   10.077  5180.67  119.149  5232.53  169.493  5130.01  167.527  876.915   14.263  868.289   14.238 8.626404 20.15306 
1 1 1   -8    2   50 o  325.353   5.0904  718.102   22.443  722.818   31.738  713.385   31.740  326.422   7.1750  324.283   7.2226 2.139557 10.18074 
1 1 1   -8    2   51 o  363.135   6.6555  905.537   30.812  926.070   37.886  865.425   52.953  369.427   7.5677  356.842   10.950 12.58511 13.31095 
1 1 1   -8    2   52 f  474.082   6.2765  1523.39   40.285  1599.79   58.475  1454.37   55.579  485.373   8.8903  462.790   8.8623 22.58279 12.55294 
1 1 1   -8    2   53 o  144.104   5.7354  141.060   10.514  140.780   18.354  141.197   12.827  143.948   9.4092  144.261   6.5611 -0.3132324 11.47090 
1 1 1   -8    2   54 o  309.127   5.0126  648.530   20.998  642.867   29.571  654.289   29.820  307.766   7.0904  310.488   7.0873 -2.722321 10.02514 
1 1 1   -8    2   55 o  761.810   9.0000  3953.85   92.894  4035.23  132.959  3876.25  129.840  769.456   12.751  754.163   12.705 15.29346 17.99998 
1 1 1   -8    2   56 o  550.228   6.9755  2059.06   52.011  2046.86   73.323  2071.41   73.788  548.589   9.8631  551.867   9.8667 -3.278259 13.95102 
1 1 1   -8    2   57 f  148.871   4.6797  150.345   9.4353  143.264   13.178  157.793   13.515  145.273   6.6940  152.468   6.5412 -7.194946 9.359365 
1 1 1   -8    2   58 o  186.179   4.5952  235.299   11.593  233.509   16.357  237.107   16.434  185.466   6.5082  186.891   6.4890 -1.424271 9.190421 
1 1 1   -8    2   59 o  367.666   6.6381  926.205   31.415  940.881   38.944  898.869   53.153  372.113   7.7230  363.219   10.799 8.893799 13.27620 
1 1 1   -8    2   60 f  352.640   7.5432  847.611   36.037  825.407   50.975  869.797   50.954  347.995   10.809  357.285   10.524 -9.289856 15.08636 
1 1 1   -8    2   61 o  356.583   7.6382  864.253   36.909   0.0000   0.0000  864.253   36.909  ?   ?   356.583   7.6382      ?      ? 
1 1 1   -8    2   62 o  368.540   5.5020  922.477   27.463  887.092   38.137  960.593   39.581  361.205   7.7913  375.875   7.7707 -14.66959 11.00396 
1 1 1   -8    2   63 o  490.891   7.9186  1656.52   49.969  1681.99   61.862  1608.70   84.759  496.965   9.1858  484.817   12.901 12.14798 15.83719 
1 1 1   -8    2   64 o  101.374   5.5244   69.910   7.5877   70.256   10.644   69.554   10.819  101.633   7.7285  101.115   7.8959 0.5175247 11.04871 
1 1 1   -8    2   65 o  364.793   5.4774  905.014   27.072  885.669   37.884  925.201   38.701  360.811   7.7481  368.776   7.7443 -7.965271 10.95474 
1 1 1   -8    2   66 f  191.733   5.9415  249.112   14.368  247.011   17.355  253.689   25.614  190.627   6.7182  192.839   9.8017 -2.211624 11.88305 
1 1 1   -8    2   67 o  466.714   7.7965  1478.80   46.062  1460.12   55.777  1518.88   81.680  462.846   8.8928  470.582   12.808 -7.736115 15.59290 
1 1 1   -8    2   68 o  274.166   6.1812  514.521   21.589  505.954   37.423  518.795   26.431  272.165   10.147  276.168   7.0624 -4.003052 12.36249 
1 1 1   -8    2   69 o  523.610   8.4040  1873.63   56.030  1895.70   97.861  1862.87   68.339  524.875   13.759  522.346   9.6545 2.529419 16.80794 
1 1 1   -8    2   70 o  282.308   5.0476  542.371   19.310  541.078   27.292  543.668   27.327  281.970   7.1424  282.645   7.1344 -0.6753845 10.09526 
1 1 1   -8    2   71 o  410.721   5.8863  1149.58   32.754  1183.38   46.918  1117.46   45.745  416.609   8.3105  404.832   8.3386 11.77783 11.77267 
1 1 1   -8    2   72 o  196.984   4.8612  264.098   12.961  281.876   18.490  246.927   18.172  203.522   6.7043  190.445   7.0412 13.07698 9.722456 
1 1 1   -8    2   73 o  185.037   4.8699  233.285   12.195  247.915   17.291  218.801   17.203  190.840   6.6858  179.234   7.0827 11.60614 9.739888 
1 1 1   -8    2   74 o  338.367   5.3959  780.834   24.741  789.279   35.092  772.487   34.887  340.192   7.6121  336.543   7.6497 3.648926 10.79173 
1 1 1   -8    2   75 o  253.536   6.0823  441.709   19.791  432.630   33.754  446.466   24.431  251.162   9.9173  255.910   7.0447 -4.748001 12.16470 
1 1 1   -8    2   76 f  188.257   6.1044  251.112   14.650  215.202   24.344  271.500   18.343  176.969   10.151  199.545   6.7833 -22.57654 12.20874 
1 1 1   -8    2   77 o  270.836   6.1401  500.193   21.408  510.972   36.660  494.614   26.372  272.565   9.9252  269.107   7.2316 3.458405 12.28029 
1 1 1   -8    2   78 o  156.486   7.0478  167.331   14.945  167.331   14.945   0.0000   0.0000  156.486   7.0478  ?   ?       ?      ? 
1 1 1   -8    2   79 o   96.230   6.1572   63.396   8.0128   58.812   10.946   68.688   11.762   92.494   8.7330   99.967   8.6821 -7.472992 12.31438 
1 1 1   -8    2   80 o  138.520   6.3890  129.708   11.220  125.181   13.542  139.619   20.039  135.133   7.3952  141.906   10.420 -6.772064 12.77791 
1 1 1   -8    2   81 o  169.128   5.0509  196.280   11.563  198.182   16.014  194.209   16.713  170.039   6.9496  168.217   7.3315 1.821945 10.10189 
1 1 1   -8    2   82 o  224.002   4.9347  343.861   14.956  318.249   20.731  371.664   21.599  215.264   7.1066  232.740   6.8484 -17.47612 9.869334 
1 1 1   -8    2   83 o  167.576   6.0247  192.971   12.936  199.046   22.396  189.930   15.847  168.967   9.7812  166.185   7.0366 2.782852 12.04931 
1 1 1   -8    2   84 o   97.710   5.8196   66.174   7.7056   66.809   10.908   65.542   10.887   98.186   8.1978   97.234   8.2625 0.9522858 11.63928 
1 1 1   -8    2   85 o  125.772   5.2211  109.395   8.8986  109.437   12.618  109.353   12.551  125.790   7.4024  125.755   7.3651 0.3542328E-01 10.44218 
1 1 1   -8    2   86 o  133.005   5.1612  122.619   9.2953  128.059   13.143  117.174   13.148  136.026   7.1300  129.985   7.4643 6.040436 10.32242 
1 1 1   -8    2   87 o   96.239   5.7939   64.655   7.5513   61.697   10.488   67.840   10.881   93.939   8.2386   98.539   8.1489 -4.599113 11.58788 
1 1 1   -8    2   88 o   84.538   7.7032   52.206   8.2481   48.860   14.155   53.927   10.149   81.513   12.814   87.564   8.5531 -6.051491 15.40648 
1 1 1   -8    2   89 o   87.512   7.6376   56.827   8.3773   50.792   14.435   59.893   10.287   82.767   12.870   92.257   8.2283 -9.490150 15.27525 
1 1 1   -8    2   90 o   34.523   9.9406   3.5240   7.6846   11.075   11.184  -3.2297   10.577   40.483   15.138   28.563   12.887 11.92002 19.88111 
1 1 1   -8    2   91 o   35.163   10.134   4.9122   7.7977   0.1109   10.795   10.151   11.276   30.869   13.520   39.456   15.099 -8.587210 20.26742 
1 1 1   -8    2   92 o  138.122   10.261  138.816   19.206  138.816   19.206   0.0000   0.0000  138.122   10.261  ?   ?       ?      ? 
1 1 1   -8    2   93 o   44.140   16.020   14.943   12.368   14.943   12.368   0.0000   0.0000   44.140   16.020  ?   ?       ?      ? 
1 1 1   -8    2   94 o   49.639   16.095   20.540   12.373   20.540   12.373   0.0000   0.0000   49.639   16.095  ?   ?       ?      ? 
1 1 1   -8    3    1 o  937.392   13.038  5770.09  151.823  5487.56  179.536  6479.28  284.446  899.022   14.737  975.763   21.512 -76.74078 26.07525 
1 1 1   -8    3    2 o  574.522   9.8542  2238.48   76.720  2238.48   76.720   0.0000   0.0000  574.522   9.8542  ?   ?       ?      ? 
1 1 1   -8    3    3 o  998.094   13.825  6878.27  178.731  7154.80  224.695  6401.89  294.921  1026.38   16.155  969.809   22.441 56.57068 27.65074 
1 1 1   -8    3    4 o  307.256   5.5607  637.237   21.947  631.369   26.970  648.739   37.762  305.198   6.5211  309.314   9.0089 -4.115601 11.12141 
1 1 1   -8    3    5 o  1021.95   14.101  7151.99  185.314  7264.42  229.478  6941.22  314.194  1034.18   16.374  1009.73   22.962 24.45319 28.20244 
1 1 1   -8    3    6 o  562.750   8.3922  2168.63   60.863  2215.58   75.659  2082.53  102.456  571.581   9.7679  553.920   13.649 17.65997 16.78431 
1 1 1   -8    3    7 o  873.755   12.193  5180.68  136.079  5207.32  236.064  5167.43  166.532  875.030   19.908  872.481   14.085 2.548767 24.38667 
1 1 1   -8    3    8 o  638.940   9.2922  2779.93   76.136  2742.21  130.413  2799.43   93.777  635.467   15.144  642.414   10.772 -6.947021 18.58446 
1 1 1   -8    3    9 o  771.359   12.621  4037.91  131.927   0.0000   0.0000  4037.91  131.927  ?   ?   771.359   12.621      ?      ? 
1 1 1   -8    3   10 o  768.072   10.915  3942.75  105.689  4181.69  190.425  3836.38  127.054  784.290   17.917  751.855   12.470 32.43506 21.82939 
1 1 1   -8    3   11 o  1033.08   11.629  7252.71  162.807  7242.64  230.055  7262.80  230.432  1032.37   16.444  1033.80   16.448 -1.435059 23.25865 
1 1 1   -8    3   12 o  1068.73   12.012  7764.58  173.972  7758.19  245.907  7770.98  246.159  1068.29   16.986  1069.17   16.990 -0.8797607 24.02460 
1 1 1   -8    3   13 o  453.634   5.8733  1395.48   36.105  1395.44   51.066  1395.53   51.054  453.626   8.3072  453.641   8.3049 -0.1507568E-01 11.74651 
1 1 1   -8    3   14 o  716.833   8.3918  3487.80   81.517  3470.04  114.940  3505.76  115.628  714.998   11.863  718.668   11.873 -3.669067 16.78350 
1 1 1   -8    3   15 o  327.935   4.8245  729.111   21.440  731.895   30.382  726.349   30.259  328.558   6.8237  327.311   6.8219 1.246979 9.648916 
1 1 1   -8    3   16 o  461.362   7.3316  1437.03   42.976  1423.41   52.235  1465.57   75.608  458.114   8.4141  464.609   12.009 -6.495911 14.66315 
1 1 1   -8    3   17 o  426.285   5.6477  1232.42   32.625  1232.49   46.138  1232.35   46.141  426.297   7.9866  426.272   7.9876 0.2536011E-01 11.29543 
1 1 1   -8    3   18 o  789.485   9.1407  4233.98   97.793  4231.87  138.213  4236.10  138.386  789.289   12.922  789.682   12.932 -0.3923340 18.28139 
1 1 1   -8    3   19 o  207.018   4.0935  290.527   11.483  287.983   16.203  293.096   16.277  206.107   5.8012  207.929   5.7768 -1.822067 8.186938 
1 1 1   -8    3   20 o  478.409   6.1307  1552.60   39.745  1545.22   56.055  1560.06   56.363  477.266   8.6671  479.552   8.6731 -2.286591 12.26135 
1 1 1   -8    3   21 o  115.182   4.0562   89.939   6.3303   91.889   8.9733   88.008   8.9316  116.424   5.6876  113.939   5.7847 2.485603 8.112371 
1 1 1   -8    3   22 o  540.813   6.7120  1984.46   49.190  1993.18   69.707  1975.82   69.425  541.996   9.4907  539.630   9.4938 2.365784 13.42402 
1 1 1   -8    3   23 o  201.160   4.1154  274.259   11.216  266.797   15.748  281.943   15.980  198.383   5.8578  203.937   5.7821 -5.554398 8.230795 
1 1 1   -8    3   24 o  568.620   6.9777  2193.54   53.765  2215.93   76.456  2171.65   75.620  571.489   9.8724  565.751   9.8635 5.738037 13.95537 
1 1 1   -8    3   25 o  523.495   6.5648  1858.66   46.568  1883.46   66.327  1834.54   65.396  526.939   9.2886  520.051   9.2795 6.887878 13.12961 
1 1 1   -8    3   26 o  401.775   6.6795  1098.86   34.478  1107.46   42.557  1082.44   58.815  404.139   7.7707  399.411   10.866 4.728088 13.35904 
1 1 1   -8    3   27 o  710.411   11.839  3429.67  113.961  3454.78  162.424  3405.32  159.934  712.963   16.811  707.859   16.673 5.104858 23.67714 
1 1 1   -8    3   28 o  1006.87   13.972  6856.15  178.804  7010.73  314.465  6782.31  217.361  1014.54   22.873  999.197   16.053 15.33905 27.94387 
1 1 1   -8    3   29 o  860.760   9.8950  5028.83  115.414  5075.40  164.205  4983.38  162.252  864.695   14.013  856.825   13.974 7.870239 19.78991 
1 1 1   -8    3   30 o  598.427   7.2893  2428.72   59.112  2440.01   83.814  2417.54   83.381  599.811   10.311  597.044   10.306 2.767517 14.57854 
1 1 1   -8    3   31 o  502.824   6.4060  1714.25   43.649  1703.53   61.501  1725.13   61.960  501.241   9.0543  504.407   9.0646 -3.166382 12.81198 
1 1 1   -8    3   32 o  583.793   7.1636  2310.72   56.666  2349.96   80.866  2272.86   79.429  588.661   10.137  578.925   10.125 9.735657 14.32718 
1 1 1   -8    3   33 o  464.523   7.5364  1486.12   44.925  1537.66   55.791  1391.07   75.766  476.230   8.6450  452.815   12.347 23.41547 15.07280 
1 1 1   -8    3   34 o  652.970   11.091  2893.84   98.122  2965.61  140.279  2825.09  137.301  660.896   15.663  645.044   15.707 15.85187 22.18223 
1 1 1   -8    3   35 o  326.116   6.0766  725.533   25.437  706.987   43.351  735.272   31.413  322.884   9.9077  329.348   7.0384 -6.464172 12.15328 
1 1 1   -8    3   36 o  525.101   6.6247  1869.68   47.140  1862.39   66.500  1877.04   66.832  524.072   9.3637  526.129   9.3737 -2.056702 13.24938 
1 1 1   -8    3   37 o  541.598   6.7853  1989.19   49.800  1992.15   70.430  1986.23   70.425  542.002   9.5890  541.195   9.6026 0.8074341 13.57051 
1 1 1   -8    3   38 o  860.484   9.9166  5025.08  115.617  5114.96  165.274  4938.95  161.795  868.013   14.051  852.954   13.998 15.05865 19.83320 
1 1 1   -8    3   39 o  624.756   7.5856  2647.33   64.215  2609.98   90.035  2686.00   91.614  620.273   10.711  629.239   10.744 -8.965942 15.17126 
1 1 1   -8    3   40 o  440.379   5.9106  1314.97   35.272  1305.08   49.645  1325.06   50.122  438.706   8.3507  442.052   8.3671 -3.345947 11.82126 
1 1 1   -8    3   41 o  526.176   6.6796  1877.92   47.628  1883.60   67.374  1872.24   67.338  526.972   9.4346  525.379   9.4581 1.592712 13.35915 
1 1 1   -8    3   42 o  576.972   7.1400  2257.62   55.815  2309.05   79.898  2208.61   78.003  583.385   10.106  570.558   10.089 12.82745 14.28006 
1 1 1   -8    3   43 o  348.914   5.2095  824.521   24.615  866.659   35.457  785.320   34.200  357.511   7.3187  340.317   7.4157 17.19339 10.41903 
1 1 1   -8    3   44 o  594.642   8.9406  2370.43   67.413  2488.55  119.865  2315.78   81.528  605.109   14.618  584.175   10.299 20.93378 17.88123 
1 1 1   -8    3   45 f  170.639   5.4211  193.395   11.862  209.915   20.781  185.413   14.446  175.909   8.7177  165.368   6.4464 10.54050 10.84226 
1 1 1   -8    3   46 o  418.039   7.0113  1194.00   37.660  1211.57   46.575  1160.83   64.005  422.624   8.1324  413.455   11.424 9.169220 14.02258 
1 1 1   -8    3   47 o  327.280   6.2021  736.298   26.123  758.528   32.502  695.732   43.906  334.427   7.1718  320.133   10.121 14.29404 12.40418 
1 1 1   -8    3   48 o  210.626   4.5381  300.756   12.951  294.352   18.145  307.408   18.491  208.340   6.4267  212.911   6.4090 -4.570770 9.076238 
1 1 1   -8    3   49 o  377.654   5.4647  967.474   27.963  989.331   39.841  946.251   39.257  381.859   7.6991  373.449   7.7572 8.410339 10.92933 
1 1 1   -8    3   50 o  540.633   8.4485  1987.66   58.108  1988.02   70.888  1986.91  101.448  541.040   9.6686  540.227   13.857 0.8129883 16.89709 
1 1 1   -8    3   51 o  501.823   6.5083  1710.14   44.257  1729.75   62.868  1690.87   62.315  504.677   9.1924  498.969   9.2158 5.707336 13.01660 
1 1 1   -8    3   52 o  150.686   5.6923  154.281   10.969  153.750   18.944  154.549   13.453  150.443   9.2920  150.930   6.5777 -0.4873047 11.38453 
1 1 1   -8    3   53 o  770.893   11.155  4021.69  109.185  4167.22  192.943  3953.12  132.430  780.006   18.254  761.781   12.828 18.22430 22.31059 
1 1 1   -8    3   54 o  231.229   4.6642  362.778   14.613  359.432   20.479  366.249   20.859  230.145   6.5664  232.314   6.6258 -2.168869 9.328370 
1 1 1   -8    3   55 o  189.099   5.5482  244.801   13.527  249.355   16.811  236.437   22.782  191.684   6.4718  186.513   9.0137 5.171234 11.09643 
1 1 1   -8    3   56 o  377.418   6.8099  978.429   33.110  937.172   55.728  1000.94   41.162  370.976   11.085  383.859   7.9131 -12.88376 13.61977 
1 1 1   -8    3   57 o  257.380   4.7991  449.804   16.736  442.395   23.702  457.171   23.636  255.261   6.8520  259.498   6.7212 -4.237671 9.598123 
1 1 1   -8    3   58 o  157.585   4.6343  168.395   9.8821  181.629   14.225  156.049   13.739  163.569   6.4174  151.601   6.6874 11.96767 9.268502 
1 1 1   -8    3   59 o  177.167   4.6386  212.974   11.125  227.113   15.954  199.592   15.521  182.893   6.4369  171.441   6.6806 11.45242 9.277104 
1 1 1   -8    3   60 o  268.826   5.8697  482.520   20.190  518.303   35.440  465.325   24.567  275.922   9.4782  261.729   6.9266 14.19327 11.73942 
1 1 1   -8    3   61 o  450.578   6.1329  1380.62   37.436  1422.06   53.667  1341.33   52.247  457.164   8.6627  443.993   8.6837 13.17065 12.26577 
1 1 1   -8    3   62 o  309.117   5.1019  649.390   21.371  658.706   30.360  640.240   30.087  311.317   7.1964  306.917   7.2340 4.399536 10.20388 
1 1 1   -8    3   63 o  424.381   7.2160  1227.29   39.217  1225.27   48.142  1231.28   67.615  424.313   8.3724  424.449   11.755 -0.1369324 14.43202 
1 1 1   -8    3   64 o  223.001   5.7109  336.165   16.334  331.555   20.022  345.338   28.244  220.881   6.6889  225.121   9.2582 -4.239761 11.42170 
1 1 1   -8    3   65 o  187.469   5.9378  240.762   13.992  243.276   16.934  235.351   24.842  189.197   6.6048  185.742   9.8696 3.454559 11.87570 
1 1 1   -8    3   66 o  192.832   5.9783  252.430   14.461  251.056   17.401  255.496   25.999  192.176   6.6818  193.488   9.9154 -1.312469 11.95667 
1 1 1   -8    3   67 o  139.279   4.9790  131.948   9.3933  126.901   13.231  137.078   13.338  136.585   7.1484  141.973   6.9326 -5.387604 9.957902 
1 1 1   -8    3   68 o  319.807   5.2734  695.501   22.844  720.668   32.857  671.955   31.782  325.403   7.4512  314.211   7.4641 11.19260 10.54672 
1 1 1   -8    3   69 o  129.147   6.4498  112.812   10.637  116.764   18.583  110.886   12.972  130.669   10.495  127.625   7.5007 3.044006 12.89951 
1 1 1   -8    3   70 o  328.702   7.4871  735.706   33.350  735.706   33.350   0.0000   0.0000  328.702   7.4871  ?   ?       ?      ? 
1 1 1   -8    3   71 o  133.106   5.2290  120.717   9.4248  126.208   13.336  115.238   13.322  136.146   7.2282  130.066   7.5580 6.080750 10.45808 
1 1 1   -8    3   72 o  276.605   5.0430  521.057   18.902  521.434   26.599  520.672   26.865  276.714   7.0934  276.496   7.1700 0.2172546 10.08595 
1 1 1   -8    3   73 o  368.368   5.5838  925.211   27.867  903.933   38.918  947.599   39.921  364.026   7.8893  372.711   7.9039 -8.684143 11.16754 
1 1 1   -8    3   74 o  123.794   6.6250  109.214   10.419   91.263   17.288  119.452   13.056  115.226   11.072  132.363   7.2789 -17.13719 13.24999 
1 1 1   -8    3   75 o  167.973   5.9933  196.392   12.976  181.309   21.571  204.945   16.244  162.568   9.7917  173.378   6.9138 -10.80920 11.98659 
1 1 1   -8    3   76 o  134.584   5.1576  123.673   9.4058  125.397   13.330  121.962   13.274  135.523   7.2582  133.644   7.3294 1.879074 10.31511 
1 1 1   -8    3   77 o  143.636   5.0972  140.958   9.9176  146.352   14.103  135.680   13.949  146.371   7.1102  140.902   7.3054 5.469482 10.19435 
1 1 1   -8    3   78 o  213.260   5.8043  302.736   15.919  284.342   19.385  340.840   27.900  203.950   7.0139  222.571   9.2502 -18.62102 11.60860 
1 1 1   -8    3   79 o  182.409   6.3057  228.902   14.319  228.651   17.157  229.481   25.995  182.816   6.9253  182.001   10.540 0.8148956 12.61134 
1 1 1   -8    3   80 o  137.156   6.6664  134.290   11.472  142.584   14.084  117.936   19.776  144.219   7.2062  130.092   11.218 14.12689 13.33283 
1 1 1   -8    3   81 o   48.266   10.273   15.101   7.0878   23.802   12.209   10.678   8.7049   56.618   15.472   39.915   13.518 16.70314 20.54523 
1 1 1   -8    3   82 o  124.969   6.5633  106.562   10.344  103.447   12.446  113.521   18.601  122.587   7.4920  127.351   10.778 -4.764038 13.12654 
1 1 1   -8    3   83 o  130.705   6.3766  116.150   10.739  127.203   18.625  110.646   13.144  134.800   10.196  126.609   7.6610 8.190971 12.75320 
1 1 1   -8    3   84 o  123.963   5.2368  106.146   8.7928  110.590   12.512  101.809   12.359  126.561   7.2953  121.364   7.5149 5.197800 10.47353 
1 1 1   -8    3   85 o  165.364   4.9609  188.992   11.112  193.555   15.619  184.317   15.812  167.446   6.8833  163.283   7.1459 4.162292 9.921875 
1 1 1   -8    3   86 o   46.213   8.9511   15.412   6.0355   9.0962   8.1796   22.959   8.9422   36.978   13.074   55.448   12.229 -18.47015 17.90229 
1 1 1   -8    3   87 o   91.912   7.1314   59.421   8.6242   62.955   14.132   57.324   10.886   93.583   11.144   90.242   8.9019 3.340340 14.26286 
1 1 1   -8    3   88 o   94.806   7.3093   66.546   8.8396   56.891   14.541   72.205   11.133   88.166   12.170  101.446   8.0984 -13.28000 14.61857 
1 1 1   -8    3   89 o   49.835   8.9737   20.745   7.0754   4.4321   11.930   29.597   8.7879   35.482   14.834   64.189   10.103 -28.70702 17.94735 
1 1 1   -8    3   90 o   55.289   9.4763   25.440   7.2716   15.360   12.217   30.970   9.0491   45.099   15.975   65.479   10.198 -20.38028 18.95264 
1 1 1   -8    3   91 o   29.023   12.907  -1.4216   10.197  -1.4216   10.197   0.0000   0.0000   29.023   12.907  ?   ?       ?      ? 
1 1 1   -8    3   92 o   85.973   12.294   55.521   14.323   55.521   14.323   0.0000   0.0000   85.973   12.294  ?   ?       ?      ? 
1 1 1   -8    3   93 o   45.650   16.010   16.588   12.246   16.588   12.246   0.0000   0.0000   45.650   16.010  ?   ?       ?      ? 
1 1 1   -8    3   94 o  111.428   11.298   92.740   17.059   92.740   17.059   0.0000   0.0000  111.428   11.298  ?   ?       ?      ? 
1 1 1   -8    4    1 o   85.257   3.7096   49.247   4.2795   45.638   5.9787   53.038   6.1283   82.055   5.3768   88.460   5.1122 -6.404686 7.419198 
1 1 1   -8    4    2 o  543.210   6.6944  2000.25   49.261  2060.14   70.787  1944.00   68.597  551.089   9.4787  535.331   9.4558 15.75775 13.38871 
1 1 1   -8    4    3 o  625.092   7.4879  2648.38   63.393  2558.93   87.901  2745.33   91.511  614.108   10.562  636.076   10.617 -21.96844 14.97586 
1 1 1   -8    4    4 o  823.871   11.642  4628.25  122.675  4574.30  211.333  4655.66  150.656  819.766   19.024  827.976   13.427 -8.209351 23.28498 
1 1 1   -8    4    5 o  635.395   10.774  2739.57   92.768  2739.57   92.768   0.0000   0.0000  635.395   10.774  ?   ?       ?      ? 
1 1 1   -8    4    6 o  572.015   9.8618  2219.78   76.444  2219.78   76.444   0.0000   0.0000  572.015   9.8618  ?   ?       ?      ? 
1 1 1   -8    4    7 o   89.213   4.0650   52.452   4.5910   49.946   5.5148   58.111   8.2864   85.844   4.7407   92.582   6.6047 -6.738243 8.129951 
1 1 1   -8    4    8 o  372.051   10.153  939.183   51.190   0.0000   0.0000  939.183   51.190  ?   ?   372.051   10.153      ?      ? 
1 1 1   -8    4    9 o  306.721   5.7335  628.266   22.207  664.679   39.872  611.890   26.739  313.019   9.3997  300.423   6.5678 12.59540 11.46697 
1 1 1   -8    4   10 o  284.792   4.4960  549.752   17.350  561.003   24.720  538.829   24.357  287.664   6.3412  281.921   6.3754 5.743164 8.992026 
1 1 1   -8    4   11 o  349.496   4.9905  828.030   23.633  843.786   33.708  812.799   33.144  352.766   7.0513  346.227   7.0641 6.538544 9.981094 
1 1 1   -8    4   12 o  448.834   5.8446  1366.30   35.548  1358.80   50.108  1373.89   50.439  447.595   8.2612  450.073   8.2699 -2.477783 11.68924 
1 1 1   -8    4   13 o  153.087   3.8751  158.863   8.0389  159.723   11.379  158.005   11.359  153.501   5.4703  152.672   5.4901 0.8284607 7.750161 
1 1 1   -8    4   14 o  206.246   5.1030  288.589   13.266  288.828   16.050  288.072   23.571  206.411   5.7379  206.080   8.4403 0.3313141 10.20602 
1 1 1   -8    4   15 o  175.898   4.9504  206.675   10.934  201.694   13.108  218.071   19.827  172.490   5.6078  179.307   8.1597 -6.817139 9.900860 
1 1 1   -8    4   16 o  254.861   4.3569  440.369   15.047  437.293   21.244  443.466   21.316  253.968   6.1728  255.755   6.1503 -1.786652 8.713751 
1 1 1   -8    4   17 o  473.112   6.0725  1518.24   38.931  1536.55   55.392  1500.38   54.727  475.930   8.5885  470.295   8.5871 5.634644 12.14500 
1 1 1   -8    4   18 o  135.290   3.9388  124.051   7.2162  117.845   10.120  130.470   10.292  131.847   5.6643  138.732   5.4746 -6.884888 7.877542 
1 1 1   -8    4   19 o  497.017   6.3043  1675.39   42.456  1705.93   60.613  1645.97   59.485  501.463   8.9196  492.572   8.9117 8.891785 12.60859 
1 1 1   -8    4   20 o  502.942   6.3599  1715.58   43.341  1688.27   60.736  1743.91   61.866  498.865   8.9842  507.018   9.0042 -8.152832 12.71973 
1 1 1   -8    4   21 o  670.941   7.9661  3055.58   72.428  3043.89  102.177  3067.38  102.683  669.652   11.260  672.230   11.272 -2.577637 15.93216 
1 1 1   -8    4   22 o  236.549   4.3271  379.325   13.871  378.781   19.615  379.869   19.617  236.380   6.1233  236.719   6.1154 -0.3391418 8.654122 
1 1 1   -8    4   23 o  174.017   4.0833  205.256   9.6288  207.759   13.662  202.786   13.572  175.071   5.7588  172.963   5.7905 2.108246 8.166615 
1 1 1   -8    4   24 o  244.168   5.2047  395.231   16.327  377.311   19.910  432.029   28.531  235.927   6.2274  252.410   8.3411 -16.48344 10.40940 
1 1 1   -8    4   25 f  849.219   11.951  4917.92  130.141  4953.43  160.312  4849.29  222.867  854.152   13.850  844.287   19.479 9.864868 23.90116 
1 1 1   -8    4   26 o  589.325   8.8712  2370.52   66.954  2314.73  114.690  2399.36   82.465  583.881   14.495  594.768   10.232 -10.88678 17.74230 
1 1 1   -8    4   27 f  259.294   4.5051  455.716   15.830  452.728   22.339  458.729   22.434  258.441   6.3785  260.148   6.3637 -1.707306 9.010099 
1 1 1   -8    4   28 o  488.343   6.2821  1615.86   41.559  1666.65   59.691  1568.08   57.896  495.785   8.8845  480.901   8.8840 14.88434 12.56421 
1 1 1   -8    4   29 o  761.859   8.9102  3936.44   91.970  4024.88  131.750  3852.39  128.445  770.199   12.623  753.518   12.579 16.68048 17.82045 
1 1 1   -8    4   30 o  445.409   5.9066  1344.94   35.651  1336.04   50.169  1354.02   50.669  443.922   8.3397  446.896   8.3668 -2.974792 11.81324 
1 1 1   -8    4   31 o  1150.46   12.899  8992.87  201.092  8950.35  283.414  9035.97  285.369  1147.73   18.222  1153.20   18.261 -5.469727 25.79731 
1 1 1   -8    4   32 o  381.080   6.6997  992.108   32.556  1007.00   39.953  962.684   56.165  385.417   7.6496  376.743   11.001 8.674530 13.39933 
1 1 1   -8    4   33 o  1553.77   34.520 16523.87  726.852 16523.87  726.852   0.0000   0.0000  1553.77   34.520  ?   ?       ?      ? 
1 1 1   -8    4   34 o  656.212   9.6132  2918.58   80.639  2933.96  139.683  2910.89   98.759  657.333   15.681  655.091   11.125 2.241272 19.22643 
1 1 1   -8    4   35 o  887.083   10.175  5341.87  122.319  5336.82  172.834  5346.94  173.138  886.663   14.384  887.502   14.396 -0.8386230 20.35068 
1 1 1   -8    4   36 o  706.815   8.3698  3388.94   80.161  3437.46  114.304  3341.98  112.447  711.791   11.850  701.839   11.823 9.952515 16.73953 
1 1 1   -8    4   37 o  402.321   5.5977  1096.91   30.512  1068.74   42.638  1126.48   43.681  397.029   7.9249  407.614   7.9079 -10.58548 11.19546 
1 1 1   -8    4   38 f  1049.30   11.859  7482.09  168.621  7552.21  239.902  7413.63  237.056  1054.15   16.794  1044.45   16.749 9.707397 23.71813 
1 1 1   -8    4   39 o  346.890   5.1755  815.799   24.329  808.582   34.281  823.122   34.532  345.344   7.3252  348.436   7.3133 -3.091461 10.35105 
1 1 1   -8    4   40 o  619.624   7.5357  2604.93   63.274  2589.27   89.112  2620.85   89.859  617.747   10.645  621.501   10.669 -3.753662 15.07142 
1 1 1   -8    4   41 o  378.365   5.4430  970.604   27.905  988.201   39.737  953.481   39.198  381.748   7.6812  374.981   7.7138 6.767365 10.88594 
1 1 1   -8    4   42 o  1131.54   12.759  8713.31  195.630  8820.75  278.798  8609.10  274.576  1138.40   18.072  1124.68   18.016 13.72485 25.51800 
1 1 1   -8    4   43 o  572.398   8.7159  2221.14   63.675  2236.17  110.674  2213.70   77.850  573.630   14.237  571.165   10.058 2.465210 17.43189 
1 1 1   -8    4   44 o  484.995   6.3238  1595.80   41.562  1594.94   58.721  1596.66   58.835  484.865   8.9369  485.125   8.9495 -0.2604980 12.64757 
1 1 1   -8    4   45 o  301.115   4.9526  614.491   20.202  600.200   28.126  629.724   29.037  297.501   6.9764  304.728   7.0316 -7.227173 9.905224 
1 1 1   -8    4   46 o  565.071   8.6368  2194.98   62.958  2256.03   78.493  2084.86  105.421  576.474   10.048  553.668   14.051 22.80652 17.27355 
1 1 1   -8    4   47 o  744.933   8.7959  3771.99   88.792  3798.95  126.021  3745.42  125.126  747.576   12.440  742.290   12.439 5.286011 17.59189 
1 1 1   -8    4   48 o  325.404   5.1108  717.357   22.522  688.101   31.198  749.196   32.546  318.485   7.2286  332.323   7.2270 -13.83817 10.22163 
1 1 1   -8    4   49 o  253.316   5.8826  435.538   18.807  435.520   22.774  435.575   33.349  253.389   6.6323  253.244   9.7176 0.1448517 11.76514 
1 1 1   -8    4   50 o  390.880   5.5958  1036.19   29.629  1006.38   41.197  1068.13   42.643  385.063   7.8950  396.697   7.9323 -11.63437 11.19164 
1 1 1   -8    4   51 o  143.491   6.4943  140.422   12.528  119.346   17.614  161.999   17.823  132.525   9.8080  154.456   8.5150 -21.93060 12.98852 
1 1 1   -8    4   52 o  452.251   7.4586  1387.02   43.117  1402.54   74.788  1379.30   52.770  453.870   12.160  450.632   8.6413 3.238007 14.91728 
1 1 1   -8    4   53 o  287.112   9.7618  560.427   37.981  560.427   37.981   0.0000   0.0000  287.112   9.7618  ?   ?       ?      ? 
1 1 1   -8    4   54 o  326.419   5.1394  723.407   22.733  727.402   32.144  719.409   32.156  327.323   7.2466  325.516   7.2898 1.807007 10.27882 
1 1 1   -8    4   55 o  430.211   5.9140  1257.56   34.477  1270.74   48.955  1244.59   48.563  432.449   8.3538  427.973   8.3735 4.475952 11.82796 
1 1 1   -8    4   56 o  329.688   5.1904  737.789   23.182  762.878   33.208  713.940   32.376  335.155   7.3115  324.221   7.3689 10.93411 10.38073 
1 1 1   -8    4   57 o  168.004   4.5968  191.617   10.465  192.168   14.870  191.076   14.730  168.242   6.5224  167.766   6.4793 0.4765472 9.193643 
1 1 1   -8    4   58 o  189.308   4.5975  243.313   11.793  238.329   16.606  248.385   16.751  187.350   6.5407  191.266   6.4627 -3.916626 9.194919 
1 1 1   -8    4   59 o  176.589   5.5575  204.802   12.588  233.966   22.259  191.089   15.263  185.441   8.8574  167.736   6.7148 17.70491 11.11498 
1 1 1   -8    4   60 o  345.188   5.3077  809.880   24.828  813.110   35.182  806.676   35.042  345.874   7.5062  344.502   7.5061 1.371246 10.61534 
1 1 1   -8    4   61 o  476.807   6.3492  1547.74   41.025  1548.33   58.014  1547.17   58.022  476.897   8.9768  476.717   8.9815 0.1799011 12.69843 
1 1 1   -8    4   62 o  139.158   4.8526  131.593   9.1506  130.182   12.912  133.016   12.970  138.407   6.8842  139.908   6.8408 -1.501099 9.705128 
1 1 1   -8    4   63 o  351.587   6.5838  857.247   29.880  895.080   37.462  791.098   49.536  362.766   7.6205  340.407   10.738 22.35922 13.16763 
1 1 1   -8    4   64 o  228.818   5.9927  353.195   17.198  347.855   20.643  365.310   31.093  226.226   6.7335  231.410   9.9152 -5.183899 11.98547 
1 1 1   -8    4   65 o  135.919   5.0176  125.757   9.2328  130.183   12.938  121.164   13.180  138.372   6.8997  133.467   7.2871 4.905975 10.03526 
1 1 1   -8    4   66 o  184.160   4.7672  230.432   11.878  249.245   17.043  212.664   16.563  191.480   6.5680  176.840   6.9114 14.63986 9.534481 
1 1 1   -8    4   67 o  324.722   5.2459  717.337   23.079  736.612   32.975  698.828   32.314  329.001   7.3962  320.443   7.4413 8.557678 10.49174 
1 1 1   -8    4   68 o  114.185   6.8441   87.334   9.9186   93.869   17.688   84.336   11.979  117.096   11.147  111.273   7.9443 5.823555 13.68829 
1 1 1   -8    4   69 o  325.565   10.607  725.236   46.795  725.236   46.795   0.0000   0.0000  325.565   10.607  ?   ?       ?      ? 
1 1 1   -8    4   70 o  174.746   4.8499  207.797   11.483  207.558   16.100  208.044   16.382  174.650   6.8027  174.842   6.9144 -0.1918793 9.699739 
1 1 1   -8    4   71 o  155.089   4.9604  163.732   10.424  161.678   14.615  165.858   14.872  154.101   6.9987  156.077   7.0313 -1.976028 9.920743 
1 1 1   -8    4   72 o  209.053   4.8548  297.611   13.752  302.502   19.465  292.736   19.432  210.776   6.8146  207.330   6.9163 3.445648 9.709506 
1 1 1   -8    4   73 o  292.872   6.2201  587.456   23.485  582.760   39.812  589.962   29.084  291.569   10.076  294.176   7.2957 -2.607117 12.44014 
1 1 1   -8    4   74 o  220.614   6.0474  342.037   17.132  301.780   28.312  365.291   21.518  209.728   9.9618  231.501   6.8590 -21.77289 12.09478 
1 1 1   -8    4   75 o  177.328   4.8963  214.471   11.765  212.214   16.518  216.795   16.762  176.383   6.9105  178.272   6.9383 -1.888763 9.792580 
1 1 1   -8    4   76 o  133.835   5.1354  122.362   9.3116  122.142   13.023  122.592   13.320  133.724   7.1863  133.947   7.3379 -0.2229919 10.27076 
1 1 1   -8    4   78 o  172.370   6.8641  203.165   16.033  203.165   16.033   0.0000   0.0000  172.370   6.8641  ?   ?       ?      ? 
1 1 1   -8    4   79 o  141.976   5.2153  138.316   9.9998  139.702   13.632  136.701   14.714  142.820   7.0433  141.132   7.6936 1.688080 10.43064 
1 1 1   -8    4   80 o  157.463   4.9315  170.036   10.519  171.700   14.717  168.299   15.040  158.280   6.8615  156.646   7.0850 1.634018 9.862911 
1 1 1   -8    4   81 o  158.859   4.9878  173.509   10.724  181.722   15.080  165.106   15.254  162.730   6.8385  154.987   7.2628 7.743179 9.975640 
1 1 1   -8    4   82 o  115.654   5.4098   92.398   8.4625   98.167   11.913   86.521   12.024  119.379   7.3637  111.929   7.9271 7.450142 10.81952 
1 1 1   -8    4   83 o   49.842   9.9859   19.507   7.3178   10.753   12.436   24.144   9.0507   42.360   15.939   57.324   12.034 -14.96471 19.97184 
1 1 1   -8    4   84 o  105.930   5.7188   78.074   8.1843   71.197   11.573   84.954   11.575  101.139   8.4442  110.722   7.7147 -9.583282 11.43768 
1 1 1   -8    4   85 o  133.898   6.1633  120.737   10.759  142.582   18.413  109.412   13.258  142.332   9.5466  125.463   7.7977 16.86903 12.32650 
1 1 1   -8    4   86 o   42.855   10.759   9.1621   8.4958  -0.3741   11.026   23.097   13.328   31.397   13.710   54.313   16.586 -22.91638 21.51860 
1 1 1   -8    4   87 o   97.800   8.4164   68.649   11.064   62.324   14.558   77.299   17.024   92.715   11.587  102.884   12.210 -10.16866 16.83271 
1 1 1   -8    4   88 f   80.185   8.3405   49.702   8.2161   39.359   13.289   56.102   10.454   71.261   14.259   89.108   8.6570 -17.84751 16.68096 
1 1 1   -8    4   89 o  117.775   6.4729   96.455   9.9045  107.385   16.900   90.737   12.224  122.018   10.221  113.531   7.9452 8.486954 12.94571 
1 1 1   -8    4   90 o   38.112   10.657   5.4330   8.6107  -2.9136   11.358   16.712   13.204   29.682   13.377   46.542   16.595 -16.85947 21.31490 
1 1 1   -8    4   91 o   60.019   15.292   29.376   12.473   29.376   12.473   0.0000   0.0000   60.019   15.292  ?   ?       ?      ? 
1 1 1   -8    4   92 o   70.399   14.200   39.480   13.079   39.480   13.079   0.0000   0.0000   70.399   14.200  ?   ?       ?      ? 
1 1 1   -8    4   93 f   72.018   14.082   41.438   13.250   41.438   13.250   0.0000   0.0000   72.018   14.082  ?   ?       ?      ? 
1 1 1   -8    4   94 o   49.524   16.027   20.673   12.273   20.673   12.273   0.0000   0.0000   49.524   16.027  ?   ?       ?      ? 
1 1 1   -8    5    1 o  323.535   4.7839  709.737   20.973  719.414   29.738  700.160   29.584  325.730   6.7371  321.340   6.7938 4.390259 9.567830 
1 1 1   -8    5    2 o  231.278   4.1490  362.321   12.997  348.235   18.103  377.305   18.672  226.642   5.8944  235.914   5.8406 -9.271301 8.297954 
1 1 1   -8    5    3 o  203.968   5.6391  282.028   15.587  282.028   15.587   0.0000   0.0000  203.968   5.6391  ?   ?       ?      ? 
1 1 1   -8    5    4 o  249.634   4.2666  422.457   14.432  429.414   20.494  415.611   20.329  251.674   6.0090  247.595   6.0587 4.079269 8.533228 
1 1 1   -8    5    5 o  195.793   5.6140  259.873   14.895   0.0000   0.0000  259.873   14.895  ?   ?   195.793   5.6140      ?      ? 
1 1 1   -8    5    6 o  233.586   5.9276  370.773   18.709  360.231   27.293  380.117   25.696  230.437   8.7401  236.735   8.0098 -6.298080 11.85528 
1 1 1   -8    5    7 o  306.450   5.3291  644.385   19.543  653.112   22.883  620.856   37.572  310.396   5.4401  302.504   9.1653 7.892029 10.65823 
1 1 1   -8    5    8 o  610.746   8.4433  2508.07   60.449  2483.61   69.603  2583.13  121.939  605.088   8.4884  616.405   14.598 -11.31726 16.88656 
1 1 1   -8    5    9 o  398.059   10.632  1075.53   57.352   0.0000   0.0000  1075.53   57.352  ?   ?   398.059   10.632      ?      ? 
1 1 1   -8    5   10 o  1073.59   17.136  7845.95  249.305  7845.95  249.305   0.0000   0.0000  1073.59   17.136  ?   ?       ?      ? 
1 1 1   -8    5   11 o  379.592   6.4807  962.386   31.057  936.884   37.382  1019.21   55.800  371.687   7.4218  387.496   10.626 -15.80933 12.96149 
1 1 1   -8    5   12 o  311.564   5.8777  658.505   23.228  658.617   28.253  658.272   40.799  311.665   6.6896  311.464   9.6663 0.2006531 11.75533 
1 1 1   -8    5   13 o  703.517   10.190  3368.39   91.498  3376.45  112.032  3352.24  158.563  705.165   11.724  701.869   16.671 3.295898 20.38063 
1 1 1   -8    5   14 o  177.777   3.9871  214.250   9.6052  213.345   13.600  215.150   13.567  177.402   5.6573  178.152   5.6198 -0.7495728 7.974165 
1 1 1   -8    5   15 o  233.658   4.2460  369.816   13.435  350.775   18.730  389.997   19.282  227.467   6.0762  239.850   5.9325 -12.38353 8.492015 
1 1 1   -8    5   16 o  729.551   8.5417  3613.71   84.444  3585.49  118.842  3642.48  120.011  726.676   12.068  732.425   12.091 -5.749451 17.08345 
1 1 1   -8    5   17 o  800.282   9.2574  4349.23  100.389  4301.02  140.982  4398.81  142.983  795.787   13.073  804.777   13.111 -8.990295 18.51487 
1 1 1   -8    5   18 o  442.979   5.8261  1330.78   34.974  1333.55   49.536  1328.03   49.386  443.439   8.2434  442.520   8.2355 0.9196777 11.65229 
1 1 1   -8    5   19 o  329.370   4.9016  735.490   21.878  738.505   31.013  732.503   30.867  330.042   6.9342  328.698   6.9296 1.343750 9.803196 
1 1 1   -8    5   20 o  711.636   8.3724  3437.03   80.740  3449.72  114.414  3424.45  113.954  712.943   11.842  710.328   11.838 2.614990 16.74477 
1 1 1   -8    5   21 o  529.673   8.0499  1891.22   54.454  1866.98   66.463  1940.72   94.975  524.667   9.3479  534.679   13.108 -10.01202 16.09973 
1 1 1   -8    5   22 o  700.686   10.098  3331.42   90.532  3326.99  111.023  3340.20  156.401  700.234   11.700  701.138   16.461 -0.9043579 20.19530 
1 1 1   -8    5   23 o  185.034   4.1786  231.844   10.472  222.947   14.568  241.358   15.065  181.364   5.9273  188.704   5.8914 -7.340271 8.357104 
1 1 1   -8    5   24 o  524.201   8.1098  1862.64   54.167  1868.46   94.386  1859.79   66.144  524.703   13.274  523.699   9.3202 1.004150 16.21958 
1 1 1   -8    5   25 o  315.695   6.0747  684.467   24.459  649.435   41.928  702.538   30.113  309.456   9.9981  321.934   6.9026 -12.47784 12.14939 
1 1 1   -8    5   26 o  788.558   9.1771  4218.56   98.055  4160.61  137.435  4278.64  139.942  783.046   12.952  794.070   13.005 -11.02380 18.35410 
1 1 1   -8    5   27 o  163.870   4.2735  181.968   9.4858  174.467   13.312  189.704   13.520  160.440   6.1230  167.300   5.9634 -6.860565 8.547064 
1 1 1   -8    5   28 o  346.301   5.1224  812.379   24.030  842.337   34.465  784.038   33.521  352.510   7.2147  340.091   7.2735 12.41864 10.24476 
1 1 1   -8    5   29 o  791.531   9.1959  4250.90   98.635  4281.85  140.110  4220.49  138.881  794.386   13.015  788.675   12.995 5.710571 18.39176 
1 1 1   -8    5   30 o  307.519   6.0384  641.098   23.555  640.992   28.651  641.318   41.376  307.513   6.8753  307.525   9.9286 -0.1174927E-01 12.07675 
1 1 1   -8    5   31 o  674.357   11.390  3086.54  104.050  3031.75  144.787  3145.05  149.629  668.182   15.990  680.531   16.225 -12.34857 22.78019 
1 1 1   -8    5   32 o  775.676   11.079  4070.90  109.693  4129.15  190.962  4042.21  134.007  779.526   18.077  771.826   12.812 7.700012 22.15727 
1 1 1   -8    5   33 o  467.882   6.1362  1483.86   38.900  1456.86   54.451  1512.01   55.594  463.537   8.6683  472.228   8.6875 -8.690582 12.27242 
1 1 1   -8    5   34 o  1208.08   13.520  9921.92  221.313 10036.77  315.381  9810.50  310.641  1214.96   19.155  1201.20   19.084 13.75757 27.03918 
1 1 1   -8    5   35 o  425.375   5.7835  1226.64   33.336  1207.89   46.796  1245.95   47.500  422.076   8.1816  428.674   8.1768 -6.598450 11.56709 
1 1 1   -8    5   36 o  884.591   10.160  5312.95  121.780  5376.40  173.533  5251.38  170.941  889.791   14.392  879.391   14.344 10.40002 20.31947 
1 1 1   -8    5   37 o  424.396   5.7909  1221.11   33.302  1238.76   47.456  1203.99   46.744  427.417   8.1933  421.375   8.1860 6.041626 11.58186 
1 1 1   -8    5   38 o  694.427   8.2646  3272.68   77.771  3296.24  110.472  3249.54  109.504  696.903   11.698  691.951   11.678 4.952209 16.52916 
1 1 1   -8    5   39 o  744.565   8.7714  3761.43   88.473  3858.99  127.127  3669.79  123.204  753.917   12.443  735.212   12.366 18.70514 17.54284 
1 1 1   -8    5   40 o  511.429   6.5658  1774.35   45.505  1779.41   64.336  1769.27   64.371  512.161   9.2697  510.697   9.3013 1.463501 13.13167 
1 1 1   -8    5   41 o  425.800   7.1493  1227.83   38.791  1237.43   67.658  1223.13   47.346  426.931   11.694  424.668   8.2272 2.263519 14.29851 
1 1 1   -8    5   42 o  779.407   11.191  4103.08  110.782  4214.96  195.311  4050.01  134.514  786.673   18.321  772.141   12.855 14.53223 22.38127 
1 1 1   -8    5   43 o  407.635   5.6931  1126.81   31.444  1107.18   44.041  1147.22   44.910  404.015   8.0440  411.254   8.0585 -7.239746 11.38618 
1 1 1   -8    5   44 o  288.452   4.9125  564.294   19.194  586.912   27.262  542.062   27.028  294.188   6.8384  282.716   7.0547 11.47153 9.825061 
1 1 1   -8    5   45 o  297.504   5.8789  586.724   22.397  560.257   27.218  642.223   39.414  287.412   6.9882  307.595   9.4556 -20.18231 11.75772 
1 1 1   -8    5   46 o  541.384   8.3408  1988.17   57.826  1980.35   70.932  2003.67   99.852  540.066   9.6919  542.701   13.577 -2.634705 16.68163 
1 1 1   -8    5   47 o  552.286   13.902  2076.30  104.045  2076.30  104.045   0.0000   0.0000  552.286   13.902  ?   ?       ?      ? 
1 1 1   -8    5   48 o  419.321   7.2255  1201.62   38.567  1215.32   47.210  1174.12   66.870  423.139   8.2332  415.504   11.876 7.635132 14.45091 
1 1 1   -8    5   49 o  366.013   5.4172  906.614   26.828  974.623   39.101  846.115   36.879  378.949   7.6141  353.076   7.7077 25.87311 10.83439 
1 1 1   -8    5   50 o  376.658   7.7421  963.074   39.517  963.074   39.517   0.0000   0.0000  376.658   7.7421  ?   ?       ?      ? 
1 1 1   -8    5   51 o  255.148   9.4170  442.422   32.560  442.422   32.560   0.0000   0.0000  255.148   9.4170  ?   ?       ?      ? 
1 1 1   -8    5   52 o  365.164   6.6142  901.825   30.824  919.890   53.751  892.974   37.625  367.684   10.788  362.644   7.6562 5.039551 13.22849 
1 1 1   -8    5   53 o  320.057   5.0877  695.450   22.066  688.535   31.109  702.453   31.304  318.454   7.2086  321.659   7.1816 -3.204773 10.17539 
1 1 1   -8    5   54 o  281.524   4.8641  537.823   18.552  554.550   26.538  521.837   25.945  285.805   6.8521  277.243   6.9056 8.562317 9.728243 
1 1 1   -8    5   55 o  260.982   4.7714  462.256   16.871  475.404   24.110  449.640   23.617  264.618   6.7234  257.345   6.7721 7.273773 9.542857 
1 1 1   -8    5   56 o  168.177   4.6201  192.012   10.527  186.185   14.813  197.955   14.961  165.596   6.6012  170.757   6.4656 -5.161041 9.240115 
1 1 1   -8    5   57 o  451.359   7.4872  1388.28   43.173  1387.67   74.736  1388.59   52.891  450.862   12.232  451.855   8.6378 -0.9926758 14.97450 
1 1 1   -8    5   58 o  191.618   5.6301  248.593   13.803  252.757   23.928  246.516   16.899  192.712   9.1626  190.525   6.5451 2.186554 11.26020 
1 1 1   -8    5   59 o   66.013   6.8454   29.668   6.1123   32.204   8.7612   27.263   8.5315   68.770   9.4011   63.256   9.9527 5.514095 13.69076 
1 1 1   -8    5   60 o  393.171   5.6675  1051.29   30.195  1039.11   42.437  1063.79   42.971  390.865   8.0119  395.477   8.0182 -4.612518 11.33497 
1 1 1   -8    5   61 o  241.647   4.7762  396.783   15.640  399.444   22.151  394.138   22.086  242.456   6.7417  240.837   6.7673 1.618317 9.552332 
1 1 1   -8    5   62 o  183.664   5.6769  234.137   13.473  246.194   16.948  213.435   22.208  190.346   6.5704  176.982   9.2596 13.36420 11.35380 
1 1 1   -8    5   63 o  241.951   6.8013  397.926   22.300  397.926   22.300   0.0000   0.0000  241.951   6.8013  ?   ?       ?      ? 
1 1 1   -8    5   64 o  281.644   4.9847  539.132   19.019  558.661   27.225  520.518   26.579  286.629   7.0091  276.659   7.0895 9.969452 9.969407 
1 1 1   -8    5   65 o  231.387   4.8008  363.664   15.040  342.681   20.932  386.059   21.625  224.484   6.8808  238.291   6.6968 -13.80733 9.601699 
1 1 1   -8    5   66 o  110.605   5.5061   83.295   8.2283   92.010   11.785   75.006   11.494  116.271   7.4796  104.940   8.0823 11.33120 11.01221 
1 1 1   -8    5   67 o  150.624   5.0150  154.260   10.210  139.534   14.215  169.951   14.674  143.183   7.3260  158.065   6.8504 -14.88184 10.02991 
1 1 1   -8    5   68 o  104.968   7.0220   74.317   9.3751   78.147   16.566   72.513   11.371  106.783   11.448  103.152   8.1348 3.631248 14.04403 
1 1 1   -8    5   69 o  161.653   6.0564  173.594   12.435  191.571   22.271  165.451   14.989  167.404   9.8175  155.902   7.0947 11.50171 12.11273 
1 1 1   -8    5   70 o  165.856   4.8797  187.099   10.954  200.548   15.726  174.423   15.267  171.656   6.7603  160.055   7.0388 11.60089 9.759366 
1 1 1   -8    5   71 o  205.346   4.8417  287.128   13.473  284.835   19.044  289.427   19.063  204.521   6.8712  206.170   6.8231 -1.649094 9.683368 
1 1 1   -8    5   72 o  168.408   5.9254  192.653   12.863  197.167   21.983  190.302   15.863  169.697   9.5592  167.119   7.0043 2.578186 11.85073 
1 1 1   -8    5   73 o  130.840   5.2716  116.816   9.3460  115.582   13.256  118.035   13.179  130.145   7.5162  131.535   7.3935 -1.389084 10.54313 
1 1 1   -8    5   74 o  139.141   5.1390  132.163   9.6860  136.872   13.733  127.500   13.664  141.624   7.1554  136.658   7.3782 4.965149 10.27801 
1 1 1   -8    5   75 o  135.659   5.2033  125.743   9.5654  124.813   13.516  126.677   13.539  135.153   7.3798  136.166   7.3372 -1.012375 10.40656 
1 1 1   -8    5   76 o  152.935   5.0370  159.978   10.428  168.275   14.741  151.666   14.754  156.943   6.9309  148.927   7.3107 8.015610 10.07390 
1 1 1   -8    5   77 o   63.435   9.7395   35.611   8.1330   45.913   9.6549   10.441   15.092   81.721   8.7183   45.148   17.419 36.57365 19.47896 
1 1 1   -8    5   78 o  135.962   6.2939  131.172   10.923  140.160   13.646  115.143   18.224  143.065   7.0385  128.859   10.436 14.20668 12.58779 
1 1 1   -8    5   79 o  161.766   4.9106  179.345   10.764  178.156   15.091  180.576   15.356  161.231   6.9071  162.302   6.9819 -1.071304 9.821158 
1 1 1   -8    5   80 o   85.643   6.1906   50.710   7.1827   50.234   10.022   51.212   10.299   85.245   8.6759   86.040   8.8331 -0.7946167 12.38125 
1 1 1   -8    5   81 o  220.640   4.8820  334.539   14.596  331.552   20.466  337.632   20.821  219.650   6.8757  221.629   6.9326 -1.979172 9.764005 
1 1 1   -8    5   82 o   39.009   8.3810   7.7133   6.0204  -4.2469   8.3329   20.773   8.7076   24.977   11.338   53.040   12.346 -28.06317 16.76208 
1 1 1   -8    5   83 o  119.219   6.3463   94.244   9.7811  116.020   17.180   83.800   11.898  128.533   9.8633  109.904   7.9885 18.62890 12.69256 
1 1 1   -8    5   84 o   56.153   8.3593   22.922   6.3027   16.437   8.6307   30.332   9.2258   46.857   13.088   65.448   10.402 -18.59118 16.71863 
1 1 1   -8    5   85 o   38.763   9.7645   10.090   6.6785   4.3356   11.033   13.417   8.3904   34.937   14.406   42.590   13.185 -7.652229 19.52896 
1 1 1   -8    5   86 o   64.177   9.2823   33.257   7.6098   22.597   12.450   39.615   9.6150   53.592   15.956   74.762   9.4904 -21.16993 18.56468 
1 1 1   -8    5   87 o  135.288   6.3388  130.306   10.988  127.192   18.708  131.946   13.576  133.057   10.375  137.518   7.2850 -4.461258 12.67760 
1 1 1   -8    5   88 o   82.837   7.8580   49.388   8.3244   51.806   14.455   48.189   10.182   83.398   12.790   82.276   9.1326 1.121826 15.71607 
1 1 1   -8    5   89 o  128.239   7.8140  118.440   13.475  103.441   17.838  138.378   20.566  118.911   11.070  137.568   11.032 -18.65728 15.62808 
1 1 1   -8    5   90 o  103.559   8.6491   79.828   12.071   76.871   16.139   83.582   18.185  101.806   11.699  105.312   12.742 -3.505898 17.29817 
1 1 1   -8    5   91 o  120.426   10.599  106.344   17.298  106.344   17.298   0.0000   0.0000  120.426   10.599  ?   ?       ?      ? 
1 1 1   -8    5   92 o   77.665   12.802   46.040   13.473   46.040   13.473   0.0000   0.0000   77.665   12.802  ?   ?       ?      ? 
1 1 1   -8    5   93 o   52.873   15.719   23.563   12.090   23.563   12.090   0.0000   0.0000   52.873   15.719  ?   ?       ?      ? 
1 1 1   -8    5   94 o   48.102   16.238   19.620   12.561   19.620   12.561   0.0000   0.0000   48.102   16.238  ?   ?       ?      ? 
1 1 1   -8    6    1 o  629.369   7.5451  2687.81   64.347  2720.02   91.571  2656.39   90.441  633.092   10.674  625.645   10.667 7.447388 15.09029 
1 1 1   -8    6    2 o  290.512   5.7028  565.802   20.911  590.316   37.458  554.703   25.205  294.985   9.3705  286.039   6.5024 8.945465 11.40562 
1 1 1   -8    6    3 o  447.722   7.2276  1355.29   41.077  1374.28   72.292  1346.24   49.919  449.915   11.857  445.529   8.2681 4.386261 14.45515 
1 1 1   -8    6    4 o  351.677   5.0451  838.587   24.043  836.506   33.930  840.685   34.075  351.239   7.1285  352.115   7.1413 -0.8759155 10.09026 
1 1 1   -8    6    5 o  460.355   5.9654  1436.60   37.204  1401.77   51.891  1473.44   53.370  454.617   8.4230  466.092   8.4497 -11.47522 11.93080 
1 1 1   -8    6    6 o  270.293   6.3108  495.297   23.115  495.297   23.115   0.0000   0.0000  270.293   6.3108  ?   ?       ?      ? 
1 1 1   -8    6    7 o  626.805   10.649  2666.24   90.453  2666.24   90.453   0.0000   0.0000  626.805   10.649  ?   ?       ?      ? 
1 1 1   -8    6    8 o  416.209   6.3841  1180.46   31.579  1186.37   36.752  1163.80   61.727  418.320   6.4833  414.098   11.000 4.221893 12.76829 
1 1 1   -8    6    9 o  563.628   7.9544  2157.93   52.989  2159.80   61.428  2152.48  104.752  564.341   8.0323  562.915   13.732 1.426453 15.90876 
1 1 1   -8    6   10 o  775.366   10.405  4079.31  109.323  4079.31  109.323   0.0000   0.0000  775.366   10.405  ?   ?       ?      ? 
1 1 1   -8    6   11 o  147.027   4.7125  146.511   9.3892  146.511   9.3892   0.0000   0.0000  147.027   4.7125  ?   ?       ?      ? 
1 1 1   -8    6   12 o  490.491   7.1942  1657.06   42.115  1685.70   49.288  1579.58   81.069  498.618   7.2944  482.363   12.402 16.25470 14.38831 
1 1 1   -8    6   13 o  511.644   7.8218  1770.62   51.226  1758.96   62.761  1793.89   88.665  509.253   9.0944  514.036   12.729 -4.782959 15.64362 
1 1 1   -8    6   14 o  419.181   7.9782  1186.69   45.188  1071.56   61.733  1319.59   66.326  397.372   11.464  440.991   11.099 -43.61819 15.95631 
1 1 1   -8    6   15 o  582.669   14.357  2305.68  113.363  2305.68  113.363   0.0000   0.0000  582.669   14.357  ?   ?       ?      ? 
1 1 1   -8    6   16 o  706.185   11.777  3384.05  112.705  3384.05  112.705   0.0000   0.0000  706.185   11.777  ?   ?       ?      ? 
1 1 1   -8    6   17 o  1237.32   16.949 10522.17  270.001 10725.32  335.158 10146.60  455.721  1255.65   19.697  1219.00   27.588 36.65759 33.89750 
1 1 1   -8    6   18 o  207.048   5.0129  291.333   13.503  293.221   16.908  288.009   22.436  207.991   5.9989  206.105   8.0331 1.885971 10.02578 
1 1 1   -8    6   19 o  806.658   9.3308  4415.88  101.994  4380.46  143.572  4451.96  144.921  803.394   13.187  809.923   13.204 -6.528870 18.66150 
1 1 1   -8    6   20 o  901.079   10.295  5511.39  125.701  5570.81  179.025  5453.61  176.538  905.866   14.584  896.292   14.535 9.574280 20.58981 
1 1 1   -8    6   21 o  438.386   8.2473  1302.95   48.995  1302.95   48.995   0.0000   0.0000  438.386   8.2473  ?   ?       ?      ? 
1 1 1   -8    6   22 o  131.552   5.4695  120.814   8.9328  108.398   15.850  126.593   10.814  126.437   9.2504  136.667   5.8390 -10.23052 10.93906 
1 1 1   -8    6   23 o  582.952   14.391  2306.65  113.688  2306.65  113.688   0.0000   0.0000  582.952   14.391  ?   ?       ?      ? 
1 1 1   -8    6   24 o  655.690   7.8548  2916.03   69.793  2931.42   98.988  2900.82   98.420  657.410   11.111  653.970   11.106 3.439636 15.70967 
1 1 1   -8    6   25 o  782.777   9.1110  4157.03   96.641  4203.41  137.578  4111.85  135.782  787.085   12.899  778.468   12.871 8.617676 18.22204 
1 1 1   -8    6   26 o  818.451   9.4692  4543.67  105.001  4639.70  150.436  4452.45  146.625  826.877   13.425  810.025   13.358 16.85168 18.93850 
1 1 1   -8    6   27 o  551.864   6.8696  2065.19   51.374  2058.76   72.542  2071.66   72.767  551.002   9.7152  552.725   9.7150 -1.723022 13.73924 
1 1 1   -8    6   28 o  1080.44   24.343  7949.85  356.419  7949.85  356.419   0.0000   0.0000  1080.44   24.343  ?   ?       ?      ? 
1 1 1   -8    6   29 o  693.081   11.656  3262.64  109.475  3294.23  154.818  3231.04  154.824  696.445   16.404  689.717   16.565 6.728333 23.31273 
1 1 1   -8    6   30 f  825.848   9.5678  4628.72  107.075  4656.77  151.926  4601.04  150.934  828.333   13.535  823.362   13.527 4.971375 19.13568 
1 1 1   -8    6   31 o  563.268   6.9932  2151.46   53.376  2127.68   74.984  2175.88   75.997  560.114   9.8789  566.421   9.9009 -6.307068 13.98647 
1 1 1   -8    6   32 o  374.511   7.6052  950.892   38.597  950.892   38.597   0.0000   0.0000  374.511   7.6052  ?   ?       ?      ? 
1 1 1   -8    6   33 o  333.591   5.0768  753.529   22.936  789.229   33.060  720.403   31.846  341.200   7.1502  325.982   7.2090 15.21808 10.15356 
1 1 1   -8    6   34 o  474.840   6.2045  1527.49   39.904  1583.53   57.521  1475.50   55.404  483.226   8.7840  466.454   8.7650 16.77264 12.40904 
1 1 1   -8    6   35 o  590.287   7.2719  2362.73   58.155  2419.65   83.329  2308.68   81.201  597.214   10.296  583.360   10.272 13.85358 14.54379 
1 1 1   -8    6   36 o  736.260   8.6807  3677.82   86.585  3766.85  124.286  3593.87  120.691  744.908   12.312  727.611   12.240 17.29675 17.36141 
1 1 1   -8    6   37 o  1035.17   11.731  7287.27  164.555  7304.83  233.089  7269.81  232.344  1036.42   16.596  1033.93   16.583 2.484375 23.46100 
1 1 1   -8    6   38 o  522.808   6.6739  1854.24   47.283  1847.22   66.700  1861.33   67.036  521.814   9.4326  523.802   9.4441 -1.988342 13.34778 
1 1 1   -8    6   39 o  452.363   6.0633  1387.47   37.162  1416.56   53.195  1359.74   51.936  456.991   8.5898  447.734   8.5599 9.257050 12.12669 
1 1 1   -8    6   40 o  439.866   7.3489  1318.85   41.309  1296.05   71.186  1330.43   50.723  436.861   12.025  442.871   8.4518 -6.009552 14.69773 
1 1 1   -8    6   41 o  628.913   7.6665  2683.30   65.312  2612.35   90.822  2759.28   93.991  620.314   10.804  637.512   10.880 -17.19788 15.33297 
1 1 1   -8    6   42 o  482.225   8.8670  1579.48   57.929  1533.00   81.039  1628.06   82.840  474.967   12.591  489.483   12.489 -14.51547 17.73397 
1 1 1   -8    6   43 o  707.944   11.901  3410.37  114.084  3538.55  165.312  3293.82  157.641  720.604   16.929  695.284   16.731 25.31946 23.80149 
1 1 1   -8    6   44 o  271.771   5.7695  501.212   20.283  501.298   25.180  501.052   34.228  271.863   6.8347  271.679   9.2971 0.1843262 11.53902 
1 1 1   -8    6   45 o  345.323   5.2644  808.857   24.632  794.195   34.534  824.042   35.144  342.138   7.4485  348.508   7.4415 -6.370239 10.52879 
1 1 1   -8    6   46 o  346.758   6.6152  829.830   29.203  857.152   35.962  776.927   50.041  355.417   7.4667  338.098   10.922 17.31961 13.23035 
1 1 1   -8    6   47 o  190.715   4.6062  246.732   11.904  250.081   16.885  243.423   16.785  192.002   6.4895  189.427   6.5388 2.574524 9.212417 
1 1 1   -8    6   48 o  721.617   8.5905  3544.02   84.002  3515.99  118.179  3572.65  119.426  718.737   12.134  724.496   12.164 -5.758972 17.18101 
1 1 1   -8    6   49 f  391.774   5.6114  1041.47   29.781  1077.19   42.713  1007.67   41.545  398.310   7.9133  385.238   7.9581 13.07224 11.22280 
1 1 1   -8    6   50 o  141.441   5.7458  136.486   10.360  134.043   17.936  137.710   12.691  140.430   9.4252  142.453   6.5742 -2.023300 11.49153 
1 1 1   -8    6   51 o  203.163   5.5560  277.818   14.400  287.727   25.223  273.027   17.540  205.749   9.0464  200.577   6.4530 5.171387 11.11208 
1 1 1   -8    6   52 o  165.127   4.5867  185.060   10.262  185.550   14.645  184.587   14.384  165.340   6.5364  164.914   6.4362 0.4254608 9.173314 
1 1 1   -8    6   53 o  186.338   4.5870  235.755   11.579  230.460   16.430  240.981   16.322  184.253   6.5800  188.422   6.3925 -4.168961 9.173936 
1 1 1   -8    6   54 o  152.227   4.7086  157.247   9.7104  162.556   13.905  152.193   13.566  154.734   6.6313  149.719   6.6866 5.016037 9.417266 
1 1 1   -8    6   55 o  302.663   5.0214  621.883   20.589  601.175   28.774  643.608   29.472  297.499   7.1372  307.827   7.0652 -10.32785 10.04271 
1 1 1   -8    6   56 o  180.089   5.7053  219.544   13.108  223.285   22.856  217.710   16.002  181.127   9.3118  179.050   6.5948 2.076660 11.41060 
1 1 1   -8    6   57 o  392.433   5.6631  1047.13   30.116  1042.11   42.527  1052.19   42.655  391.488   8.0162  393.379   8.0015 -1.891113 11.32622 
1 1 1   -8    6   58 o  170.686   4.7082  197.899   10.889  198.459   15.506  197.354   15.296  170.922   6.6947  170.450   6.6220 0.4716339 9.416456 
1 1 1   -8    6   59 o  194.405   4.6679  256.720   12.296  259.032   17.543  254.488   17.239  195.263   6.6300  193.547   6.5728 1.715576 9.335854 
1 1 1   -8    6   60 o   61.382   7.7073   26.457   6.1914   21.248   8.7906   31.585   8.7217   54.683   12.176   68.081   9.4535 -13.39805 15.41469 
1 1 1   -8    6   61 o  295.243   6.3395  596.789   23.621  602.085   28.675  585.607   41.666  297.587   7.1105  292.900   10.497 4.686798 12.67892 
1 1 1   -8    6   62 o  106.521   7.7215   77.205   11.146   77.205   11.146   0.0000   0.0000  106.521   7.7215  ?   ?       ?      ? 
1 1 1   -8    6   63 o  359.529   5.4850  878.500   26.702  926.232   38.542  834.440   37.030  368.917   7.7094  350.141   7.8041 18.77615 10.96991 
1 1 1   -8    6   64 o  330.991   5.2858  745.394   23.707  732.373   33.288  758.795   33.769  328.056   7.4879  333.926   7.4626 -5.870026 10.57158 
1 1 1   -8    6   65 o  162.078   4.9766  178.274   10.850  209.762   15.793  150.126   14.932  175.636   6.6353  148.520   7.4190 27.11621 9.953283 
1 1 1   -8    6   66 o  127.201   5.2571  110.067   9.0387  121.180   12.989   99.632   12.586  133.443   7.1828  120.960   7.6782 12.48216 10.51415 
1 1 1   -8    6   67 o  246.654   4.9296  413.189   16.458  441.187   23.834  387.668   22.755  254.635   6.9070  238.673   7.0354 15.96245 9.859201 
1 1 1   -8    6   68 o  219.662   6.0709  332.582   16.847  319.646   29.492  338.847   20.525  216.176   10.067  223.147   6.7875 -6.970901 12.14173 
1 1 1   -8    6   69 o  168.914   4.9281  193.587   11.245  216.736   16.392  173.010   15.454  178.441   6.7786  159.387   7.1551 19.05453 9.856220 
1 1 1   -8    6   70 o  210.795   4.9230  300.832   14.017  335.948   20.694  271.068   19.052  222.106   6.8756  199.484   7.0478 22.62219 9.846077 
1 1 1   -8    6   71 o  206.133   5.8484  280.913   15.392  317.741   27.417  263.966   18.599  215.445   9.3909  196.820   6.9733 18.62521 11.69681 
1 1 1   -8    6   72 o  161.238   5.0675  176.725   11.000  206.595   16.047  150.246   15.108  174.101   6.8014  148.375   7.5139 25.72597 10.13501 
1 1 1   -8    6   73 o  167.108   4.9963  190.131   11.240  161.728   15.491  221.708   16.334  153.895   7.4278  180.320   6.6843 -26.42496 9.992599 
1 1 1   -8    6   74 o  166.437   4.9471  189.191   11.154  184.094   15.802  194.251   15.747  164.183   7.1024  168.691   6.8884 -4.507874 9.894174 
1 1 1   -8    6   75 o  151.730   5.0854  157.191   10.449  150.161   14.489  164.809   15.083  148.196   7.2149  155.264   7.1688 -7.068939 10.17085 
1 1 1   -8    6   76 o  124.571   6.8529  109.052   10.587  112.257   12.754  101.953   18.984  128.043   7.3503  121.098   11.568 6.945419 13.70583 
1 1 1   -8    6   77 o  124.070   5.3203  105.579   8.9139  117.517   12.781   94.273   12.438  130.961   7.2018  117.177   7.8331 13.78384 10.64068 
1 1 1   -8    6   78 o  102.860   6.4661   68.300   8.6981   54.695   10.736   94.285   14.837   88.995   8.9025  116.725   9.3802 -27.73003 12.93225 
1 1 1   -8    6   79 o  120.565   5.3438   99.623   8.5983   77.797   11.732  124.950   12.638  106.203   8.1518  134.928   6.9119 -28.72519 10.68765 
1 1 1   -8    6   80 o  150.166   4.9751  155.050   10.117  163.301   14.424  147.061   14.193  154.138   6.9053  146.193   7.1642 7.944458 9.950277 
1 1 1   -8    6   81 o  103.009   5.6522   73.398   7.8779   79.112   11.294   67.984   10.994  106.965   7.7912   99.053   8.1907 7.912598 11.30447 
1 1 1   -8    6   82 o   66.551   7.7242   31.722   6.7752   36.171   9.7802   27.616   9.3947   71.714   10.064   61.389   11.721 10.32536 15.44839 
1 1 1   -8    6   83 o  107.052   7.7836   79.611   11.292   0.0000   0.0000   79.611   11.292  ?   ?   107.052   7.7836      ?      ? 
1 1 1   -8    6   84 o   51.009   9.6421   21.333   7.1627   10.507   12.145   27.108   8.8695   41.311   15.703   60.706   11.194 -19.39556 19.28415 
1 1 1   -8    6   85 o   52.346   10.030   18.872   7.0584   30.023   12.446   13.585   8.5699   62.014   14.978   42.678   13.344 19.33594 20.06047 
1 1 1   -8    6   86 o  119.728   6.4755  100.091   9.9732  106.824   17.231   96.699   12.230  121.912   10.430  117.543   7.6780 4.369041 12.95105 
1 1 1   -8    6   87 o   59.998   9.6861   27.063   7.3822   31.363   12.755   24.897   9.0523   62.724   15.172   57.272   12.045 5.451828 19.37218 
1 1 1   -8    6   88 o   55.924   11.751   25.281   9.4713   22.034   12.387   29.850   14.696   52.111   16.002   59.737   17.213 -7.626148 23.50266 
1 1 1   -8    6   89 o   44.196   11.450   14.641   8.9816   16.366   11.681   12.145   14.048   45.722   15.658   42.670   16.710 3.051926 22.89965 
1 1 1   -8    6   90 o  107.186   8.3659   84.100   12.031   71.862   15.812  100.926   18.541   98.049   11.900  116.323   11.762 -18.27416 16.73190 
1 1 1   -8    6   91 o   59.972   15.306   29.720   12.481   29.720   12.481   0.0000   0.0000   59.972   15.306  ?   ?       ?      ? 
1 1 1   -8    6   92 o   49.555   15.948   20.578   12.164   20.578   12.164   0.0000   0.0000   49.555   15.948  ?   ?       ?      ? 
1 1 1   -8    6   93 o   47.063   16.053   18.557   12.277   18.557   12.277   0.0000   0.0000   47.063   16.053  ?   ?       ?      ? 
1 1 1   -8    6   94 o   64.139   15.890   35.494   13.740   35.494   13.740   0.0000   0.0000   64.139   15.890  ?   ?       ?      ? 
1 1 1   -8    7    1 o  282.092   6.4399  539.400   24.618  539.400   24.618   0.0000   0.0000  282.092   6.4399  ?   ?       ?      ? 
1 1 1   -8    7    2 o  504.646   6.3888  1724.02   43.652  1653.68   60.243  1801.78   63.341  493.828   9.0022  515.464   9.0678 -21.63605 12.77750 
1 1 1   -8    7    3 o  450.383   5.9027  1375.08   36.022  1355.64   50.488  1395.23   51.411  447.142   8.3321  453.624   8.3632 -6.481995 11.80542 
1 1 1   -8    7    4 o  695.208   8.2160  3279.13   77.402  3294.35  109.719  3264.06  109.210  696.813   11.619  693.602   11.619 3.211487 16.43199 
1 1 1   -8    7    5 o  462.284   6.0080  1448.75   37.634  1428.11   52.752  1470.14   53.705  458.932   8.4822  465.636   8.5110 -6.704224 12.01602 
1 1 1   -8    7    6 o  506.279   7.9089  1724.44   50.640  1699.29   61.215  1778.95   90.131  500.590   9.0239  511.969   12.991 -11.37906 15.81779 
1 1 1   -8    7    7 o  251.154   5.6176  436.493   17.765  452.765   21.683  403.268   30.983  258.451   6.1908  243.856   9.3758 14.59505 11.23529 
1 1 1   -8    7    8 o  293.389   5.5814  576.270   21.029  561.348   25.735  606.253   36.480  287.772   6.5992  299.007   9.0032 -11.23456 11.16273 
1 1 1   -8    7    9 o  293.301   5.7948  598.232   22.184  649.043   28.561  520.968   35.220  309.431   6.8113  277.171   9.3768 32.26077 11.58958 
1 1 1   -8    7   10 o  611.339   8.4849  2515.74   60.896  2495.96   70.199  2575.86  122.413  606.727   8.5379  615.950   14.666 -9.222839 16.96983 
1 1 1   -8    7   11 o  276.307   5.6009  525.096   20.240  548.582   25.799  487.500   32.641  284.482   6.6920  268.132   8.9831 16.34967 11.20176 
1 1 1   -8    7   12 o  328.266   5.9205  726.321   25.001  717.192   30.745  744.141   42.953  325.271   6.9751  331.261   9.5685 -5.990112 11.84095 
1 1 1   -8    7   13 o  563.436   7.9489  2128.42   52.553  2103.94   60.512  2203.55  106.009  557.077   8.0158  569.795   13.729 -12.71851 15.89778 
1 1 1   -8    7   14 o  244.251   5.0396  415.599   14.866  430.106   17.601  379.495   27.767  251.919   5.1557  236.583   8.6608 15.33597 10.07924 
1 1 1   -8    7   15 f  279.166   5.2143  530.010   17.490  532.010   20.474  524.607   33.647  280.174   5.3924  278.157   8.9263 2.017334 10.42865 
1 1 1   -8    7   16 o  995.431   11.270  6725.81  151.997  6860.98  217.801  6597.48  212.221  1005.17   15.990  985.693   15.888 19.47687 22.54086 
1 1 1   -8    7   17 o  609.771   7.4107  2521.04   61.228  2565.10   87.446  2478.67   85.757  614.996   10.493  604.547   10.468 10.44836 14.82133 
1 1 1   -8    7   18 o  943.811   10.737  6047.12  137.328  6087.17  195.060  6007.76  193.372  946.907   15.201  940.715   15.169 6.192627 21.47492 
1 1 1   -8    7   19 o  419.265   7.0237  1191.06   37.443  1194.87   65.518  1189.20   45.628  419.703   11.520  418.826   8.0393 0.8765869 14.04740 
1 1 1   -8    7   20 o  730.432   12.215  3623.06  120.889  3688.68  172.722  3560.06  169.255  736.911   17.296  723.954   17.252 12.95728 24.42953 
1 1 1   -8    7   21 o  274.922   5.8383  517.720   20.336  527.751   24.834  497.301   35.431  279.036   6.5675  270.809   9.6546 8.226379 11.67663 
1 1 1   -8    7   22 o  229.799   4.4018  357.888   13.706  364.539   19.484  351.371   19.285  231.913   6.1997  227.685   6.2503 4.227737 8.803544 
1 1 1   -8    7   23 o  430.214   7.0259  1257.09   38.811  1248.97   66.432  1261.29   47.820  429.101   11.424  431.328   8.1813 -2.226898 14.05178 
1 1 1   -8    7   24 o  819.217   11.600  4571.24  121.833  4516.21  208.844  4599.63  150.003  815.156   18.906  823.277   13.445 -8.120483 23.19934 
1 1 1   -8    7   25 o  479.138   7.5629  1557.28   46.438  1556.48   79.924  1557.68   57.057  478.967   12.314  479.309   8.7844 -0.3421631 15.12589 
1 1 1   -8    7   26 o  461.562   7.5042  1441.53   44.052  1435.06   53.658  1454.90   77.156  460.059   8.6068  463.065   12.295 -3.006744 15.00845 
1 1 1   -8    7   27 o  259.872   5.8397  465.646   19.207  480.580   23.516  435.716   33.291  266.269   6.5172  253.475   9.6919 12.79427 11.67931 
1 1 1   -8    7   28 o  409.575   5.6295  1137.12   31.243  1154.64   44.544  1120.17   43.832  412.678   7.9652  406.472   7.9576 6.206177 11.25908 
1 1 1   -8    7   29 o  390.871   5.4898  1035.83   29.078  1031.69   41.108  1039.97   41.137  390.090   7.7765  391.652   7.7509 -1.561523 10.97954 
1 1 1   -8    7   30 o  401.765   5.5985  1093.14   30.463  1137.94   43.965  1051.77   42.248  409.673   7.9193  393.856   7.9156 15.81696 11.19696 
1 1 1   -8    7   31 o  930.375   10.647  5877.55  134.204  5994.34  192.336  5766.74  187.350  939.370   15.109  921.380   15.005 17.98987 21.29397 
1 1 1   -8    7   32 o  130.238   4.7077  115.285   8.2873  108.459   11.901  121.710   11.547  126.483   6.9435  133.993   6.3592 -7.509872 9.415481 
1 1 1   -8    7   33 o  682.717   8.1548  3162.68   75.437  3211.48  107.731  3115.74  105.665  687.881   11.557  677.554   11.508 10.32678 16.30959 
1 1 1   -8    7   34 o  317.703   7.1171  684.364   30.641  684.364   30.641   0.0000   0.0000  317.703   7.1171  ?   ?       ?      ? 
1 1 1   -8    7   35 f  227.002   4.6005  349.257   14.139  328.937   19.803  370.386   20.193  220.266   6.6344  233.738   6.3752 -13.47174 9.201056 
1 1 1   -8    7   36 o  535.593   9.5914  1946.24   69.615  1946.24   69.615   0.0000   0.0000  535.593   9.5914  ?   ?       ?      ? 
1 1 1   -8    7   37 o  534.241   8.2562  1952.54   56.889  1986.86   70.709  1889.55   95.793  541.125   9.6426  527.356   13.404 13.76880 16.51231 
1 1 1   -8    7   38 o  156.730   6.6888  166.562   14.206   0.0000   0.0000  166.562   14.206  ?   ?   156.730   6.6888      ?      ? 
1 1 1   -8    7   39 o  281.600   4.8552  537.750   18.526  527.091   26.132  548.519   26.267  278.793   6.9167  284.407   6.8153 -5.613892 9.710309 
1 1 1   -8    7   40 o  395.350   5.6138  1060.08   30.072  1036.17   42.193  1084.77   42.871  390.817   7.9669  399.882   7.9114 -9.064362 11.22769 
1 1 1   -8    7   41 o  308.004   6.1223  662.268   24.493  720.264   31.361  571.565   39.219  325.868   7.1017  290.139   9.9749 35.72839 12.24469 
1 1 1   -8    7   42 o  406.516   6.8439  1085.64   35.288  1024.01   42.392  1224.72   63.681  388.470   8.0528  424.563   11.068 -36.09256 13.68783 
1 1 1   -8    7   43 o  479.476   6.3209  1560.12   41.062  1596.22   58.775  1525.70   57.390  484.892   8.9447  474.060   8.9334 10.83173 12.64173 
1 1 1   -8    7   44 o  260.171   6.0063  460.422   19.726  462.017   23.913  457.026   34.898  260.969   6.7619  259.373   9.9286 1.595734 12.01257 
1 1 1   -8    7   45 o  312.414   5.0480  662.068   21.368  677.287   30.537  647.468   29.909  315.931   7.1327  308.897   7.1451 7.033966 10.09591 
1 1 1   -8    7   46 o  304.416   7.0976  628.880   29.279  628.880   29.279   0.0000   0.0000  304.416   7.0976  ?   ?       ?      ? 
1 1 1   -8    7   47 o  452.600   8.6477  1391.45   53.040  1391.45   53.040   0.0000   0.0000  452.600   8.6477  ?   ?       ?      ? 
1 1 1   -8    7   48 o  440.826   6.0074  1320.11   35.887  1318.15   50.814  1322.06   50.690  440.497   8.5124  441.154   8.4791 -0.6568604 12.01482 
1 1 1   -8    7   49 o  280.581   5.9555  532.995   21.335  540.457   37.119  529.314   26.072  281.917   9.7160  279.246   6.8898 2.671570 11.91095 
1 1 1   -8    7   50 o  402.673   6.9775  1104.14   35.920  1099.52   62.043  1106.48   44.053  401.773   11.395  403.574   8.0552 -1.800690 13.95490 
1 1 1   -8    7   51 o  428.095   5.9146  1245.49   34.312  1247.05   48.653  1243.94   48.397  428.360   8.3814  427.830   8.3477 0.5300293 11.82929 
1 1 1   -8    7   52 o  494.902   6.4883  1665.66   43.510  1687.63   62.041  1644.40   61.036  498.109   9.1912  491.694   9.1603 6.414948 12.97652 
1 1 1   -8    7   53 o  129.752   4.9680  114.531   8.7198  107.758   12.415  121.127   12.250  125.949   7.2737  133.555   6.7687 -7.607002 9.935936 
1 1 1   -8    7   54 o  252.932   9.6532  435.539   33.087  435.539   33.087   0.0000   0.0000  252.932   9.6532  ?   ?       ?      ? 
1 1 1   -8    7   55 o  235.203   4.8103  373.660   15.289  410.143   22.605  342.904   20.756  245.725   6.7886  224.680   6.8169 21.04530 9.620560 
1 1 1   -8    7   56 o  273.305   4.9034  507.322   18.157  517.649   25.974  497.453   25.392  276.023   6.9442  270.586   6.9249 5.436096 9.806884 
1 1 1   -8    7   57 f  468.281   6.2902  1490.90   39.890  1553.49   57.674  1433.50   55.230  477.688   8.9096  458.875   8.8818 18.81262 12.58037 
1 1 1   -8    7   58 o  216.234   4.7627  317.315   13.946  333.434   20.112  302.385   19.356  221.520   6.6998  210.948   6.7710 10.57239 9.525422 
1 1 1   -8    7   59 o  187.953   4.7646  239.977   12.123  225.178   16.954  255.461   17.342  182.015   6.8735  193.891   6.6000 -11.87686 9.529206 
1 1 1   -8    7   60 o  377.792   6.9682  965.135   33.182  950.816   40.004  996.713   59.409  373.793   7.8975  381.790   11.483 -7.997101 13.93643 
1 1 1   -8    7   61 o   82.368   7.8059   49.639   7.9210   57.277   10.141   37.691   12.684   91.720   8.1594   73.015   13.310 18.70435 15.61183 
1 1 1   -8    7   62 o  105.671   6.4044   75.540   8.8706   73.856   11.147   78.448   14.648  104.156   7.8977  107.186   10.084 -3.029892 12.80882 
1 1 1   -8    7   63 o  285.969   5.0456  555.825   19.539  527.249   27.215  586.225   28.070  278.378   7.2142  293.560   7.0561 -15.18265 10.09127 
1 1 1   -8    7   64 o   94.290   6.0837   60.476   7.7649   63.829   11.296   57.473   10.691   96.761   8.6147   91.818   8.5926 4.942688 12.16740 
1 1 1   -8    7   65 o  223.417   4.8296  339.265   14.614  355.030   21.000  324.461   20.350  228.451   6.7834  218.383   6.8765 10.06825 9.659254 
1 1 1   -8    7   66 o  147.702   5.0304  148.500   10.065  148.398   14.414  148.597   14.062  147.643   7.2043  147.760   7.0225 -0.1166687 10.06072 
1 1 1   -8    7   67 o  150.402   6.3213  159.170   11.993  140.874   20.559  168.608   14.766  143.420   10.578  157.384   6.9235 -13.96461 12.64256 
1 1 1   -8    7   68 o  346.899   5.4821  820.167   25.765  832.626   36.914  808.330   35.980  349.456   7.7949  344.343   7.7105 5.113159 10.96417 
1 1 1   -8    7   69 o  159.734   6.0612  170.792   12.363  184.699   21.814  164.213   15.005  164.228   9.8020  155.239   7.1327 8.988785 12.12248 
1 1 1   -8    7   70 o  197.538   7.0146  265.970   18.777  265.970   18.777   0.0000   0.0000  197.538   7.0146  ?   ?       ?      ? 
1 1 1   -8    7   71 o  157.271   4.9978  168.722   10.644  160.791   14.980  176.810   15.128  153.518   7.2007  161.025   6.9328 -7.505981 9.995638 
1 1 1   -8    7   72 o  146.331   5.0690  146.160   10.051  148.230   14.329  144.154   14.102  147.350   7.1759  145.313   7.1613 2.037445 10.13796 
1 1 1   -8    7   73 f  175.039   4.9224  209.219   11.675  213.866   16.596  204.666   16.426  176.972   6.9203  173.107   7.0022 3.864548 9.844886 
1 1 1   -8    7   74 f  233.862   6.2632  381.611   18.471  392.405   22.537  359.531   32.235  239.609   6.9409  228.115   10.428 11.49371 12.52649 
1 1 1   -8    7   75 o  233.908   4.9688  374.399   15.750  372.519   22.221  376.297   22.327  233.317   7.0280  234.498   7.0260 -1.180557 9.937635 
1 1 1   -8    7   76 o  106.683   5.6820   78.487   8.1564   67.430   11.466   89.812   11.604   98.951   8.5512  114.414   7.4845 -15.46329 11.36399 
1 1 1   -8    7   77 o   62.969   9.0425   29.343   7.3574   32.258   9.4212   24.784   11.779   68.119   10.206   57.819   14.930 10.29929 18.08493 
1 1 1   -8    7   78 o  184.185   4.9647  232.050   12.361  211.375   16.922  255.705   18.100  175.390   7.1197  192.981   6.9213 -17.59061 9.929468 
1 1 1   -8    7   79 o   83.880   6.3342   49.133   7.1174   40.520   10.009   57.943   10.123   76.228   9.6897   91.532   8.1609 -15.30475 12.66848 
1 1 1   -8    7   80 o  213.507   4.8872  313.972   14.140  312.012   19.974  315.940   20.021  212.833   6.9253  214.182   6.8978 -1.349442 9.774451 
1 1 1   -8    7   81 o  133.569   5.2313  123.480   9.4203  107.823   13.140  140.039   13.513  124.709   7.7750  142.429   7.0012 -17.72066 10.46267 
1 1 1   -8    7   82 o   75.794   9.5050   40.420   9.7627   0.0000   0.0000   40.420   9.7627  ?   ?    75.794   9.5050      ?      ? 
1 1 1   -8    7   83 o  137.862   7.2986  132.006   13.635   0.0000   0.0000  132.006   13.635  ?   ?   137.862   7.2986      ?      ? 
1 1 1   -8    7   84 o   49.963   10.372   18.146   7.2184   24.216   12.342   14.990   8.8992   55.390   15.715   44.536   13.542 10.85331 20.74490 
1 1 1   -8    7   85 o  129.152   6.4453  118.628   10.649  117.302   18.248  119.313   13.114  127.617   10.552  130.686   7.4050 -3.069778 12.89066 
1 1 1   -8    7   86 f  111.138   8.2954   89.646   12.403   81.937   16.378  100.011   18.991  105.830   11.420  116.447   12.035 -10.61666 16.59081 
1 1 1   -8    7   87 o   70.221   11.073   38.741   10.235   30.738   13.398   49.957   15.861   61.308   15.968   79.135   15.344 -17.82747 22.14506 
1 1 1   -8    7   88 o   50.422   11.462   21.174   9.2063   25.717   11.843   14.236   14.635   56.222   15.186   44.621   17.171 11.60103 22.92315 
1 1 1   -8    7   89 o   47.409   11.530   17.738   8.7405   16.369   11.021   20.059   14.350   45.424   15.211   49.395   17.331 -3.971603 23.05905 
1 1 1   -8    7   90 o   67.724   14.553   37.061   12.958   37.061   12.958   0.0000   0.0000   67.724   14.553  ?   ?       ?      ? 
1 1 1   -8    7   91 o   31.866   13.735   2.2400   10.775   2.2400   10.775   0.0000   0.0000   31.866   13.735  ?   ?       ?      ? 
1 1 1   -8    7   92 o  100.770   11.384   76.569   15.546   76.569   15.546   0.0000   0.0000  100.770   11.384  ?   ?       ?      ? 
1 1 1   -8    7   93 o   33.557   14.323   4.1301   11.507   4.1301   11.507   0.0000   0.0000   33.557   14.323  ?   ?       ?      ? 
1 1 1   -8    7   94 o   91.049   12.511   65.138   15.437   65.138   15.437   0.0000   0.0000   91.049   12.511  ?   ?       ?      ? 
1 1 1   -8    8    1 o  632.387   7.6172  2710.94   65.260  2784.78   93.508  2640.82   91.122  640.778   10.769  623.995   10.776 16.78284 15.23435 
1 1 1   -8    8    2 o  900.203   12.678  5534.16  146.102  5594.06  179.826  5417.83  250.599  907.814   14.617  892.592   20.718 15.22235 25.35546 
1 1 1   -8    8    3 o  484.335   7.7238  1586.06   47.349  1577.19   57.401  1604.95   83.758  482.308   8.7824  486.362   12.708 -4.054291 15.44757 
1 1 1   -8    8    4 o  1083.19   12.189  7967.45  178.895  7840.98  250.202  8099.72  255.885  1074.41   17.185  1091.97   17.292 -17.56592 24.37891 
1 1 1   -8    8    5 o  486.879   6.2660  1604.63   41.308  1684.54   59.815  1531.77   57.116  498.448   8.8554  475.309   8.8675 23.13953 12.53195 
1 1 1   -8    8    6 o  898.491   10.277  5478.81  125.126  5549.48  178.305  5410.25  175.635  904.196   14.552  892.786   14.517 11.41095 20.55489 
1 1 1   -8    8    7 o  640.397   7.7003  2781.50   66.824  2774.48   94.275  2788.59   94.734  639.585   10.877  641.208   10.902 -1.623718 15.40055 
1 1 1   -8    8    8 o  676.532   8.0604  3103.55   73.884  3051.51  103.279  3158.10  105.739  670.727   11.363  682.336   11.435 -11.60864 16.12083 
1 1 1   -8    8    9 o  549.437   7.8195  2022.47   50.368  1998.10   57.962  2097.63  101.784  542.899   7.8784  555.976   13.510 -13.07672 15.63904 
1 1 1   -8    8   10 o  1261.56   16.275 10960.36  243.613 11102.56  283.922 10563.51  474.317  1278.64   16.386  1244.49   28.125 34.14368 32.55024 
1 1 1   -8    8   11 o  780.264   10.434  4084.72   95.050  4039.16  109.189  4227.26  193.133  771.740   10.441  788.787   18.068 -17.04730 20.86776 
1 1 1   -8    8   12 o  303.163   5.3851  609.482   19.415  595.369   22.451  651.344   38.666  296.388   5.5897  309.938   9.2060 -13.55035 10.77012 
1 1 1   -8    8   13 o  324.737   5.6259  719.953   21.860  725.754   25.556  704.133   42.200  327.234   5.7631  322.241   9.6637 4.992401 11.25172 
1 1 1   -8    8   14 o  296.783   5.6986  596.485   21.816  595.028   26.977  599.237   37.087  296.285   6.7189  297.282   9.2060 -0.9964905 11.39716 
1 1 1   -8    8   15 o  505.607   7.7879  1700.28   49.974  1641.42   60.331  1828.95   89.199  492.021   9.0485  519.194   12.678 -27.17288 15.57581 
1 1 1   -8    8   16 o  934.159   13.021  5935.09  155.738  5945.87  191.273  5913.89  268.256  935.861   15.082  932.457   21.229 3.404175 26.04142 
1 1 1   -8    8   17 o  191.583   6.1926  245.852   15.920  269.746   24.675  228.812   20.837  199.455   9.1291  183.710   8.3699 15.74533 12.38526 
1 1 1   -8    8   18 o  972.220   22.042  6431.51  290.404   0.0000   0.0000  6431.51  290.404  ?   ?   972.220   22.042      ?      ? 
1 1 1   -8    8   19 o  616.587   9.1108  2575.04   71.869  2594.04  124.353  2565.51   88.066  618.144   14.845  615.030   10.566 3.113770 18.22159 
1 1 1   -8    8   20 o  559.746   6.9655  2124.42   52.831  2151.45   75.335  2098.27   74.108  563.247   9.8699  556.244   9.8314 7.002747 13.93097 
1 1 1   -8    8   21 o  248.894   4.5331  419.854   15.289  424.669   21.756  415.157   21.489  250.303   6.4140  247.484   6.4075 2.819214 9.066160 
1 1 1   -8    8   22 o  796.528   13.125  4305.89  141.677  4305.89  141.677   0.0000   0.0000  796.528   13.125  ?   ?       ?      ? 
1 1 1   -8    8   23 o  920.924   10.528  5757.74  131.370  5839.58  187.509  5678.83  184.108  927.346   14.921  914.502   14.856 12.84399 21.05567 
1 1 1   -8    8   24 f  690.038   10.115  3239.71   89.177  3253.35  109.348  3212.62  154.097  692.452   11.653  687.624   16.537 4.828308 20.23047 
1 1 1   -8    8   25 o  259.805   6.7595  457.427   23.788  441.348   33.135  474.531   34.173  255.096   9.5851  264.513   9.5336 -9.417313 13.51896 
1 1 1   -8    8   26 o  287.738   5.9977  561.448   21.909  561.495   26.669  561.351   38.421  287.796   6.8382  287.680   9.8555 0.1163330 11.99549 
1 1 1   -8    8   27 o  113.074   4.8303   86.569   7.3969   90.237   10.684   83.192   10.251  115.372   6.8334  110.777   6.8289 4.595055 9.660648 
1 1 1   -8    8   28 o   99.371   5.0924   66.964   6.8416   66.719   10.013   67.179   9.3703   99.198   7.4483   99.544   6.9463 -0.3457336 10.18471 
1 1 1   -8    8   29 o  206.741   4.4916  289.556   12.580  298.420   18.064  281.209   17.529  209.811   6.3533  203.671   6.3509 6.140121 8.983203 
1 1 1   -8    8   30 o  299.538   4.9254  608.338   19.992  600.847   28.253  615.851   28.293  297.690   7.0035  301.386   6.9274 -3.696014 9.850760 
1 1 1   -8    8   31 o  572.105   10.086  2220.80   78.196  2220.80   78.196   0.0000   0.0000  572.105   10.086  ?   ?       ?      ? 
1 1 1   -8    8   32 o  425.082   7.0052  1204.64   38.025  1164.39   46.190  1289.28   66.980  414.348   8.2262  435.815   11.341 -21.46686 14.01043 
1 1 1   -8    8   33 o  534.662   9.4836  1941.16   68.692  1981.25   98.607  1903.36   95.747  540.016   13.475  529.308   13.349 10.70746 18.96711 
1 1 1   -8    8   34 f  482.345   12.542  1580.33   81.979  1580.33   81.979   0.0000   0.0000  482.345   12.542  ?   ?       ?      ? 
1 1 1   -8    8   35 o  688.006   10.103  3182.24   87.927  3318.57  156.799  3119.71  106.194  698.226   16.572  677.785   11.562 20.44080 20.20625 
1 1 1   -8    8   36 o  380.803   6.8265  988.686   33.083  971.073   57.472  997.415   40.459  378.143   11.215  383.463   7.7859 -5.320129 13.65306 
1 1 1   -8    8   37 o  939.565   10.767  6008.32  137.095  6022.43  194.279  5994.33  193.487  940.660   15.241  938.470   15.214 2.189697 21.53500 
1 1 1   -8    8   38 o  759.893   8.9579  3924.86   92.235  3981.44  131.642  3870.30  129.269  765.266   12.694  754.520   12.643 10.74591 17.91584 
1 1 1   -8    8   39 o  663.870   9.7689  2999.50   83.136  3000.39  102.200  2997.74  142.939  664.480   11.350  663.261   15.903 1.219360 19.53781 
1 1 1   -8    8   40 o  446.142   7.3585  1374.45   42.557  1434.23   53.603  1272.52   69.993  459.665   8.6053  432.618   11.939 27.04749 14.71702 
1 1 1   -8    8   41 f  429.025   5.9131  1249.23   34.375  1266.51   48.995  1232.49   48.242  431.944   8.3702  426.105   8.3546 5.838959 11.82625 
1 1 1   -8    8   42 o  567.102   8.7939  2202.37   63.769  2231.04   78.448  2146.54  109.487  572.995   10.103  561.208   14.396 11.78741 17.58775 
1 1 1   -8    8   43 o  306.991   5.0250  639.402   20.902  647.955   29.860  631.184   29.269  309.002   7.1308  304.980   7.0820 4.022003 10.05006 
1 1 1   -8    8   44 o  289.155   4.9025  567.406   19.209  567.316   27.324  567.493   27.010  289.130   6.9738  289.180   6.8923 -0.5038452E-01 9.804997 
1 1 1   -8    8   45 o  235.010   4.6720  374.865   14.875  364.432   21.042  385.285   21.029  231.736   6.7007  238.284   6.5125 -6.548279 9.344096 
1 1 1   -8    8   46 o  436.267   5.9639  1292.83   35.256  1307.49   50.244  1278.60   49.483  438.701   8.4515  433.832   8.4168 4.869141 11.92773 
1 1 1   -8    8   47 o  325.626   6.3071  726.007   26.307  704.177   44.958  737.373   32.440  321.705   10.313  329.547   7.2641 -7.842010 12.61416 
1 1 1   -8    8   48 o  156.918   5.7677  169.163   11.489  161.902   19.917  172.784   14.066  154.288   9.5259  159.548   6.5055 -5.260925 11.53538 
1 1 1   -8    8   49 o  446.338   6.0775  1350.85   36.714  1429.61   53.529  1280.88   50.450  458.589   8.6135  434.086   8.5763 24.50357 12.15508 
1 1 1   -8    8   50 o  286.623   4.9429  557.472   19.191  575.120   27.602  540.957   26.702  291.010   6.9992  282.236   6.9814 8.773773 9.885798 
1 1 1   -8    8   51 o  305.429   7.1652  633.678   29.656  633.678   29.656   0.0000   0.0000  305.429   7.1652  ?   ?       ?      ? 
1 1 1   -8    8   52 o  324.796   6.3725  717.538   26.271  718.514   46.085  717.068   31.976  324.721   10.473  324.871   7.2632 -0.1502991 12.74507 
1 1 1   -8    8   53 o  229.884   5.7483  347.010   16.666  392.947   30.425  327.318   19.920  240.247   9.3452  219.522   6.6963 20.72487 11.49662 
1 1 1   -8    8   54 o  112.683   5.2292   86.956   7.9242   77.426   11.469   95.660   10.961  106.705   7.9318  118.661   6.8165 -11.95654 10.45835 
1 1 1   -8    8   55 o  383.993   5.6150  1002.02   29.204  961.154   40.677  1045.50   41.955  375.911   7.9851  392.075   7.8964 -16.16391 11.23008 
1 1 1   -8    8   56 o  146.790   4.9068  146.442   9.7573  146.518   13.985  146.371   13.620  146.821   7.0288  146.760   6.8485 0.6196594E-01 9.813552 
1 1 1   -8    8   57 o  199.879   4.7218  271.512   12.786  271.075   18.290  271.929   17.881  199.715   6.7581  200.044   6.5961 -0.3288422 9.443564 
1 1 1   -8    8   58 f  386.198   7.0040  1009.77   34.290  995.914   41.560  1039.32   60.688  382.530   8.0173  389.866   11.487 -7.335144 14.00808 
1 1 1   -8    8   59 o  166.260   4.8303  187.793   10.879  192.877   15.658  183.049   15.126  168.431   6.8599  164.088   6.8022 4.342606 9.660678 
1 1 1   -8    8   60 o  316.824   6.2643  690.649   25.711  707.160   32.186  661.532   42.743  322.396   7.3670  311.253   10.134 11.14346 12.52858 
1 1 1   -8    8   61 o  164.478   4.8845  183.796   10.879  193.699   15.651  174.538   15.133  168.765   6.8435  160.190   6.9713 8.575302 9.768948 
1 1 1   -8    8   62 o  129.158   5.3266  113.697   9.3058  110.934   13.478  116.214   12.864  127.636   7.7927  130.680   7.2640 -3.044731 10.65323 
1 1 1   -8    8   63 o  236.458   4.8703  380.316   15.603  384.103   22.308  376.689   21.832  237.604   6.9284  235.311   6.8466 2.292908 9.740510 
1 1 1   -8    8   64 o  173.208   4.8899  204.308   11.468  196.867   16.320  211.568   16.120  170.072   7.0810  176.344   6.7455 -6.272263 9.779714 
1 1 1   -8    8   65 o  119.665   5.4165   97.053   8.7555  108.487   12.878   87.225   11.940  126.196   7.5303  113.135   7.7879 13.06075 10.83308 
1 1 1   -8    8   66 o   75.244   8.9523   40.930   8.0624   36.507   14.494   42.912   9.7019   71.233   15.459   79.255   9.0333 -8.021606 17.90450 
1 1 1   -8    8   67 o   88.576   8.7199   53.599   10.467   0.0000   0.0000   53.599   10.467  ?   ?    88.576   8.7199      ?      ? 
1 1 1   -8    8   68 o  200.587   5.9731  271.666   15.216  284.207   26.935  265.787   18.440  203.667   9.7593  197.506   6.8898 6.160721 11.94626 
1 1 1   -8    8   69 o  184.729   4.9526  231.954   12.375  252.171   18.034  213.964   17.012  192.326   6.9196  177.131   7.0874 15.19485 9.905160 
1 1 1   -8    8   70 o   96.269   6.1220   63.919   7.9240   56.092   11.385   71.274   11.036   90.435   9.2896  102.104   7.9761 -11.66885 12.24398 
1 1 1   -8    8   71 f  141.988   5.1481  137.917   9.8902  129.855   14.045  145.845   13.929  137.828   7.5199  146.148   7.0330 -8.320023 10.29625 
1 1 1   -8    8   72 o  216.695   6.1543  314.559   16.787  302.013   20.107  343.418   30.496  210.218   7.0583  223.172   10.084 -12.95476 12.30859 
1 1 1   -8    8   73 o   83.382   8.4561   45.475   8.9335   40.705   10.647   56.824   16.422   76.739   10.238   90.024   13.461 -13.28466 16.91224 
1 1 1   -8    8   74 o   59.359   8.5021   25.445   6.6892   20.587   9.7020   29.847   9.2353   53.100   13.464   65.619   10.386 -12.51913 17.00414 
1 1 1   -8    8   75 o  143.133   5.1044  140.497   9.8989  144.355   14.105  136.752   13.896  145.079   7.1744  141.186   7.2628 3.893097 10.20885 
1 1 1   -8    8   76 o   97.915   6.7389   63.781   8.7300   54.348   10.987   79.940   14.379   88.587   9.1519  107.243   9.8942 -18.65617 13.47789 
1 1 1   -8    8   77 o   76.644   7.6025   39.595   7.7404   33.144   9.8449   50.039   12.526   68.824   10.556   84.464   10.944 -15.64058 15.20500 
1 1 1   -8    8   78 o  196.899   4.9009  266.831   13.074  260.530   18.474  273.153   18.506  194.536   7.0077  199.262   6.8533 -4.725677 9.801794 
1 1 1   -8    8   79 o   76.710   7.2901   42.868   7.0480   29.142   9.9474   56.705   9.9873   63.019   12.088   90.400   8.1526 -27.38078 14.58014 
1 1 1   -8    8   80 o  169.684   6.0718  200.567   13.117  201.669   22.833  200.024   16.025  169.191   9.9589  170.177   6.9487 -0.9866486 12.14351 
1 1 1   -8    8   81 o   73.323   8.5429   35.802   8.0029   48.274   14.575   30.419   9.5755   81.315   13.227   65.332   10.816 15.98253 17.08589 
1 1 1   -8    8   82 o  108.655   8.0155   82.503   11.802   0.0000   0.0000   82.503   11.802  ?   ?   108.655   8.0155      ?      ? 
1 1 1   -8    8   83 f   74.517   9.0732   44.812   8.0259   32.533   13.835   51.040   9.8532   63.891   16.012   85.144   8.5396 -21.25297 18.14650 
1 1 1   -8    8   84 o   65.286   9.4472   35.744   7.6980   23.026   13.273   42.190   9.4496   53.476   16.589   77.095   9.0449 -23.61869 18.89434 
1 1 1   -8    8   85 o  110.916   8.4722   89.517   12.627   75.913   16.829  107.041   19.100  101.187   12.273  120.644   11.683 -19.45692 16.94441 
1 1 1   -8    8   86 o  117.350   8.3509  101.396   13.179   97.337   17.465  106.764   20.084  115.146   11.193  119.554   12.396 -4.408051 16.70190 
1 1 1   -8    8   87 o   66.304   11.448   37.316   10.224   41.815   13.333   30.895   15.927   72.855   14.014   59.752   18.105 13.10343 22.89523 
1 1 1   -8    8   88 o   97.301   8.7965   70.317   11.494   62.321   15.076   81.415   17.762   90.978   12.228  103.624   12.648 -12.64513 17.59294 
1 1 1   -8    8   89 o   43.406   11.270   14.449   8.8912   17.862   11.494   9.3643   14.030   46.825   15.530   39.986   16.338 6.838215 22.54086 
1 1 1   -8    8   90 o   31.066   13.589   0.9848   10.876   0.9848   10.876   0.0000   0.0000   31.066   13.589  ?   ?       ?      ? 
1 1 1   -8    8   91 o   41.309   15.377   13.048   11.513   13.048   11.513   0.0000   0.0000   41.309   15.377  ?   ?       ?      ? 
1 1 1   -8    8   92 o   45.044   15.827   17.074   11.970   17.074   11.970   0.0000   0.0000   45.044   15.827  ?   ?       ?      ? 
1 1 1   -8    8   93 o   51.533   16.564   24.083   13.126   24.083   13.126   0.0000   0.0000   51.533   16.564  ?   ?       ?      ? 
1 1 1   -8    9    1 o  500.402   6.4159  1696.52   43.487  1653.13   60.387  1743.27   62.676  493.763   9.0249  507.041   9.1217 -13.27875 12.83182 
1 1 1   -8    9    2 o  541.799   6.7789  1990.48   49.768  1980.42   69.899  2000.83   70.877  540.412   9.5447  543.185   9.6288 -2.773254 13.55784 
1 1 1   -8    9    3 o  405.851   5.5926  1116.29   30.751  1099.58   42.921  1133.91   44.078  402.733   7.8645  408.968   7.9534 -6.234375 11.18510 
1 1 1   -8    9    4 o  271.476   4.6293  499.504   17.026  497.529   23.772  501.585   24.395  270.927   6.4750  272.026   6.6178 -1.099609 9.258503 
1 1 1   -8    9    5 o  388.632   5.4509  1023.81   28.704  1018.04   40.244  1029.79   40.952  387.518   7.6635  389.746   7.7538 -2.228577 10.90187 
1 1 1   -8    9    6 o  551.758   6.8869  2063.02   51.475  2132.31   73.933  1997.83   71.712  560.744   9.7295  542.772   9.7497 17.97131 13.77388 
1 1 1   -8    9    7 f  497.707   6.4247  1676.37   43.287  1606.46   59.585  1754.50   62.990  486.742   9.0334  508.672   9.1380 -21.92993 12.84938 
1 1 1   -8    9    8 o  808.570   9.3956  4436.73  102.947  4468.85  146.122  4405.07  145.062  811.475   13.288  805.664   13.287 5.811584 18.79114 
1 1 1   -8    9    9 o  711.725   8.4273  3436.62   81.279  3461.30  115.156  3412.11  114.738  714.273   11.897  709.176   11.939 5.096924 16.85469 
1 1 1   -8    9   10 o  477.630   7.0727  1514.39   39.502  1483.52   45.313  1612.15   80.632  467.810   7.1477  487.449   12.207 -19.63986 14.14538 
1 1 1   -8    9   11 o  382.889   6.1757  990.867   28.054  987.489   32.550  1000.62   55.318  381.690   6.2930  384.089   10.628 -2.399536 12.35135 
1 1 1   -8    9   12 f  921.421   12.144  5773.94  131.721  5779.47  152.392  5757.62  261.931  922.924   12.185  919.918   21.011 3.006409 24.28883 
1 1 1   -8    9   13 o  663.640   9.7143  2972.79   82.488  2939.44  100.910  3039.97  143.205  658.251   11.313  669.028   15.795 -10.77643 19.42861 
1 1 1   -8    9   14 f  362.002   10.294  888.831   50.497   0.0000   0.0000  888.831   50.497  ?   ?   362.002   10.294      ?      ? 
1 1 1   -8    9   15 o  271.516   5.2886  501.926   17.213  504.401   20.128  495.191   33.208  272.802   5.4446  270.230   9.0682 2.571838 10.57717 
1 1 1   -8    9   16 o  110.479   5.0561   83.043   6.9265   83.490   8.2802   82.003   12.641  110.987   5.5053  109.971   8.4823 1.015907 10.11228 
1 1 1   -8    9   17 o  504.987   7.4124  1736.18   44.383  1743.00   51.577  1716.71   87.127  507.045   7.5063  502.929   12.784 4.116089 14.82479 
1 1 1   -8    9   18 o  417.246   6.8925  1172.58   36.830  1156.08   45.063  1205.77   63.916  412.922   8.0531  421.569   11.188 -8.646576 13.78510 
1 1 1   -8    9   19 o  289.429   5.4895  583.359   19.184  603.248   22.705  533.736   35.863  298.330   5.6161  280.529   9.4338 17.80173 10.97899 
1 1 1   -8    9   20 o  384.763   6.1990  989.554   28.244  974.756   32.648  1033.58   56.313  379.205   6.3532  390.321   10.646 -11.11609 12.39792 
1 1 1   -8    9   21 o  137.218   5.5138  127.622   10.253  127.622   10.253   0.0000   0.0000  137.218   5.5138  ?   ?       ?      ? 
1 1 1   -8    9   22 o  218.940   6.3730  324.948   18.908   0.0000   0.0000  324.948   18.908  ?   ?   218.940   6.3730      ?      ? 
1 1 1   -8    9   23 o  636.063   7.6923  2745.03   66.300  2772.52   94.322  2718.18   93.214  639.210   10.889  632.916   10.868 6.293823 15.38452 
1 1 1   -8    9   24 o  152.675   4.4900  157.912   9.2842  165.726   13.306  150.497   12.961  156.354   6.2797  148.995   6.4192 7.358612 8.980072 
1 1 1   -8    9   25 o  427.551   5.8221  1239.69   33.732  1232.25   47.607  1247.20   47.803  426.261   8.2417  428.840   8.2258 -2.578827 11.64425 
1 1 1   -8    9   26 o  387.940   5.5222  1020.14   29.025  1045.17   41.546  996.277   40.566  392.586   7.8093  383.294   7.8099 9.291565 11.04441 
1 1 1   -8    9   27 o  497.654   9.1297  1680.03   61.570   0.0000   0.0000  1680.03   61.570  ?   ?   497.654   9.1297      ?      ? 
1 1 1   -8    9   28 o  402.861   7.8497  1100.61   42.831  1054.08   59.611  1150.27   61.582  394.062   11.163  411.659   11.039 -17.59732 15.69937 
1 1 1   -8    9   29 o  188.744   5.5739  248.233   13.431  220.864   22.551  263.280   16.721  180.427   9.2233  197.061   6.2614 -16.63397 11.14781 
1 1 1   -8    9   30 o  459.252   7.5650  1431.08   44.188  1433.60   77.240  1429.85   53.875  459.406   12.407  459.098   8.6596 0.3077698 15.13005 
1 1 1   -8    9   31 o  388.379   8.0033  1024.26   42.120  1037.00   59.693  1011.62   59.441  390.788   11.272  385.969   11.365 4.819336 16.00652 
1 1 1   -8    9   32 o  339.030   6.4557  770.597   27.671  754.475   33.392  805.933   49.437  333.526   7.3881  344.532   10.589 -11.00589 12.91139 
1 1 1   -8    9   33 o  165.431   5.8306  181.907   11.972  195.035   22.245  176.554   14.204  169.506   9.6843  161.356   6.4960 8.150192 11.66121 
1 1 1   -8    9   34 o  108.440   6.5025   76.042   8.6689   88.802   16.674   71.315   10.148  114.345   10.760  102.535   7.3036 11.80923 13.00502 
1 1 1   -8    9   35 o  146.793   5.3914  144.516   10.473  138.798   13.319  153.779   16.953  143.050   6.8708  150.536   8.3102 -7.485626 10.78271 
1 1 1   -8    9   36 o  379.683   6.6769  990.547   32.856  1020.92   41.218  937.612   54.413  387.886   7.8416  371.480   10.809 16.40591 13.35376 
1 1 1   -8    9   37 o  243.013   5.5716  397.806   17.637  390.268   21.986  411.415   29.541  239.857   6.7640  246.168   8.8555 -6.310684 11.14326 
1 1 1   -8    9   38 o  340.823   5.2329  788.258   24.166  772.258   34.111  804.380   34.240  337.347   7.4617  344.300   7.3387 -6.953094 10.46580 
1 1 1   -8    9   39 o  155.966   5.9819  165.652   11.808  166.542   14.355  163.790   20.766  156.674   6.7612  155.258   9.8701 1.416367 11.96378 
1 1 1   -8    9   40 o  151.180   5.9705  149.318   11.481  139.174   13.800  172.118   20.689  143.206   7.1111  159.154   9.5927 -15.94798 11.94105 
1 1 1   -8    9   41 o  439.211   5.9833  1310.11   35.610  1315.37   50.642  1304.96   50.084  440.080   8.4917  438.343   8.4314 1.736206 11.96653 
1 1 1   -8    9   42 o  398.805   5.6730  1079.72   30.652  1047.77   42.952  1112.86   43.755  392.792   8.0694  404.819   7.9759 -12.02762 11.34595 
1 1 1   -8    9   43 o  203.872   4.6564  282.436   12.840  262.258   18.158  302.616   18.158  196.568   6.8165  211.176   6.3453 -14.60788 9.312748 
1 1 1   -8    9   44 o  374.680   6.6945  946.556   31.897  977.642   56.179  931.767   38.749  378.961   10.939  370.399   7.7198 8.562683 13.38909 
1 1 1   -8    9   45 o  325.988   6.2749  716.461   26.035  739.609   45.773  705.392   31.654  329.672   10.246  322.305   7.2472 7.367279 12.54989 
1 1 1   -8    9   46 o  362.526   6.6725  907.778   31.053  849.469   52.308  939.511   38.588  353.157   10.930  371.894   7.6569 -18.73730 13.34508 
1 1 1   -8    9   47 o   90.093   5.8176   55.761   7.0255   49.211   10.299   61.461   9.6085   85.067   8.9337   95.120   7.4542 -10.05270 11.63512 
1 1 1   -8    9   48 o  228.400   4.7234  353.626   14.607  369.641   21.195  339.140   20.158  233.314   6.7036  223.485   6.6561 9.829758 9.446758 
1 1 1   -8    9   49 o  331.639   5.2214  747.369   23.463  739.474   33.306  755.147   33.060  329.892   7.4503  333.387   7.3176 -3.494324 10.44286 
1 1 1   -8    9   50 o  208.652   5.7746  290.833   15.114  309.738   27.508  282.659   18.089  213.290   9.5172  204.013   6.5428 9.276978 11.54927 
1 1 1   -8    9   51 o  199.680   4.7387  271.540   12.789  253.377   18.297  288.888   17.882  193.113   6.9919  206.248   6.3980 -13.13509 9.477384 
1 1 1   -8    9   52 o  164.986   4.7503  184.671   10.610  190.614   15.421  179.327   14.622  167.499   6.7938  162.474   6.6411 5.024918 9.500534 
1 1 1   -8    9   53 o  312.227   5.1394  662.435   21.740  674.099   31.163  651.375   30.345  314.899   7.3026  309.556   7.2337 5.343689 10.27883 
1 1 1   -8    9   54 o  161.867   4.8062  178.689   10.501  162.656   14.987  194.152   14.718  154.683   7.1498  169.050   6.4248 -14.36754 9.612357 
1 1 1   -8    9   55 o  182.030   4.7270  225.339   11.652  219.835   16.662  230.605   16.300  179.841   6.8370  184.219   6.5295 -4.378174 9.454005 
1 1 1   -8    9   56 o  206.933   5.9538  290.176   15.636  287.577   18.991  295.644   27.551  205.680   6.8135  208.186   9.7655 -2.506943 11.90752 
1 1 1   -8    9   57 o  260.276   4.8987  460.466   17.275  468.766   24.735  452.562   24.136  262.561   6.9519  257.990   6.9036 4.571564 9.797402 
1 1 1   -8    9   58 o  183.890   5.5747  219.600   13.364  194.338   16.420  269.164   23.000  169.024   7.1687  198.757   8.5392 -29.73225 11.14938 
1 1 1   -8    9   59 o  197.977   5.6962  266.350   14.739  264.698   18.514  269.209   24.355  197.274   6.9253  198.680   9.0458 -1.406586 11.39239 
1 1 1   -8    9   60 f  146.181   5.1432  145.962   10.149  133.987   14.546  157.322   14.168  140.282   7.6515  152.079   6.8748 -11.79654 10.28631 
1 1 1   -8    9   61 o  145.466   5.0358  144.402   9.8990  135.617   14.231  152.637   13.779  141.139   7.4406  149.793   6.7879 -8.654373 10.07161 
1 1 1   -8    9   62 o  177.270   4.8585  212.975   11.647  231.251   17.082  197.093   15.923  184.353   6.8375  170.187   6.9043 14.16637 9.717064 
1 1 1   -8    9   63 o  100.410   5.9159   67.862   7.9474   85.074   11.944   54.187   10.646  111.722   7.8891   89.098   8.8176 22.62404 11.83170 
1 1 1   -8    9   64 o  163.225   5.0117  181.827   11.057  174.690   16.024  188.315   15.277  160.126   7.3845  166.325   6.7777 -6.199173 10.02336 
1 1 1   -8    9   65 o   99.047   7.9188   66.925   10.629   0.0000   0.0000   66.925   10.629  ?   ?    99.047   7.9188      ?      ? 
1 1 1   -8    9   66 o   60.119   10.092   27.541   7.8270   18.965   14.465   31.091   9.3071   52.909   17.416   67.329   10.201 -14.42055 20.18312 
1 1 1   -8    9   67 o   96.690   6.1229   64.370   7.9679   57.452   11.485   70.790   11.064   91.583   9.2537  101.796   8.0204 -10.21313 12.24572 
1 1 1   -8    9   68 o  140.588   5.2397  133.915   9.9359  153.279   14.740  117.789   13.451  149.853   7.2585  131.323   7.5586 18.52992 10.47942 
1 1 1   -8    9   69 o   73.944   7.1859   37.406   7.1418   44.643   10.521   31.222   9.7256   80.595   9.6336   67.293   10.665 13.30177 14.37178 
1 1 1   -8    9   70 f  214.115   6.1622  315.680   16.707  317.590   20.335  311.714   29.306  215.610   6.9598  212.619   10.171 2.991226 12.32433 
1 1 1   -8    9   71 o  196.827   6.2532  268.240   15.534  271.666   18.887  261.078   27.306  199.319   6.9926  194.335   10.369 4.983994 12.50635 
1 1 1   -8    9   72 o  292.921   5.1853  587.899   20.582  580.721   29.069  595.116   29.146  291.112   7.3686  294.730   7.2976 -3.617676 10.37065 
1 1 1   -8    9   73 o   55.168   8.9841   22.053   6.5901   25.695   9.6388   18.857   9.0304   59.522   12.354   50.814   13.047 8.708031 17.96818 
1 1 1   -8    9   74 o  206.055   4.9460  290.083   13.724  247.537   18.806  338.559   20.074  189.840   7.3101  222.270   6.6644 -32.43030 9.892004 
1 1 1   -8    9   75 o   63.141   8.7587   26.798   7.3539   13.199   9.4127   48.102   11.782   43.311   14.038   82.970   10.478 -39.65889 17.51735 
1 1 1   -8    9   76 o   91.654   7.0415   59.433   8.4704   61.995   10.868   55.468   13.519   94.585   8.4789   88.723   11.245 5.862183 14.08299 
1 1 1   -8    9   77 o   50.390   9.0471   18.676   6.2685   23.626   9.1383   14.277   8.6149   56.594   12.269   44.187   13.299 12.40699 18.09426 
1 1 1   -8    9   78 o   36.754   9.8421   7.8241   6.7470   2.1854   11.977   10.445   8.1659   34.668   14.699   38.840   13.093 -4.172115 19.68422 
1 1 1   -8    9   79 o   42.567   9.9252   13.455   6.8241   6.2908   12.193   16.723   8.2347   37.879   15.322   47.256   12.621 -9.376896 19.85034 
1 1 1   -8    9   80 o   38.063   10.080   8.6997   6.6508   9.9145   11.842   8.1400   8.0383   40.504   15.479   35.622   12.917 4.881275 20.16096 
1 1 1   -8    9   81 o   93.295   8.4411   61.145   10.672   0.0000   0.0000   61.145   10.672  ?   ?    93.295   8.4411      ?      ? 
1 1 1   -8    9   82 o   82.454   7.9947   48.463   8.3802   52.098   14.810   46.751   10.164   83.770   13.047   81.139   9.2436 2.630287 15.98936 
1 1 1   -8    9   83 o  117.397   8.1984  100.043   12.977   91.364   17.330  111.122   19.581  111.771   11.441  123.023   11.745 -11.25132 16.39687 
1 1 1   -8    9   84 o   48.325   11.841   17.779   9.2990   14.795   11.917   22.425   14.869   44.373   15.771   52.278   17.667 -7.905247 23.68237 
1 1 1   -8    9   85 o   57.614   11.308   28.691   9.5648   35.209   12.217   18.368   15.374   66.863   13.935   48.364   17.814 18.49924 22.61692 
1 1 1   -8    9   86 o   49.084   11.850   19.855   9.4787   21.719   12.093   16.884   15.264   51.357   15.818   46.811   17.650 4.545631 23.70055 
1 1 1   -8    9   87 o   53.933   11.437   21.839   9.5791   10.614   12.333   38.912   15.209   40.049   15.664   67.817   16.668 -27.76817 22.87306 
1 1 1   -8    9   88 o   48.441   11.994   19.420   9.5948   18.811   12.383   20.335   15.178   47.702   16.123   49.180   17.762 -1.477543 23.98837 
1 1 1   -8    9   89 o   79.581   13.198   49.281   14.233   49.281   14.233   0.0000   0.0000   79.581   13.198  ?   ?       ?      ? 
1 1 1   -8    9   90 o   23.871   11.384 -10.1991   10.226 -10.1991   10.226   0.0000   0.0000   23.871   11.384  ?   ?       ?      ? 
1 1 1   -8    9   91 o   29.610   13.277  -0.8448   11.029  -0.8448   11.029   0.0000   0.0000   29.610   13.277  ?   ?       ?      ? 
1 1 1   -8    9   93 o   63.343   17.259   38.103   15.218   38.103   15.218   0.0000   0.0000   63.343   17.259  ?   ?       ?      ? 
1 1 1   -8   10    1 f  726.666   8.5875  3583.76   84.561  3566.97  118.977  3600.90  120.206  724.949   12.111  728.383   12.178 -3.433838 17.17497 
1 1 1   -8   10    2 o  507.304   6.5068  1744.43   44.716  1707.81   62.235  1783.51   64.292  501.806   9.1519  512.802   9.2518 -10.99585 13.01361 
1 1 1   -8   10    3 o  531.049   6.7152  1912.62   48.321  1901.13   67.803  1924.48   68.883  529.431   9.4505  532.667   9.5428 -3.235779 13.43044 
1 1 1   -8   10    4 o  255.487   4.6319  442.318   16.019  471.872   22.910  414.050   22.406  263.836   6.4077  247.138   6.6902 16.69827 9.263811 
1 1 1   -8   10    5 o  545.874   6.8538  2021.11   50.698  2042.86   71.885  1999.59   71.513  548.798   9.6659  542.950   9.7195 5.847595 13.70758 
1 1 1   -8   10    6 o  513.522   6.5609  1788.50   45.655  1784.62   64.253  1792.46   64.884  512.962   9.2433  514.083   9.3137 -1.121521 13.12185 
1 1 1   -8   10    7 o  743.902   8.7597  3756.16   88.305  3778.33  125.083  3734.14  124.682  746.091   12.372  741.712   12.405 4.379089 17.51949 
1 1 1   -8   10    8 o  1040.51   11.782  7358.79  166.116  7304.42  233.553  7414.44  236.319  1036.63   16.626  1044.39   16.697 -7.763306 23.56309 
1 1 1   -8   10    9 o  215.475   5.8937  318.787   15.907  304.419   28.265  325.446   19.244  211.843   9.8458  219.107   6.4810 -7.264099 11.78741 
1 1 1   -8   10   10 o  547.251   8.5113  2028.89   59.314  2043.72  103.575  2021.65   72.353  548.578   13.933  545.923   9.7800 2.655029 17.02254 
1 1 1   -8   10   11 o  762.676   10.288  3910.05   91.686  3870.65  105.397  4032.65  185.896  755.338   10.297  770.015   17.815 -14.67719 20.57677 
1 1 1   -8   10   12 o  417.822   6.5248  1154.66   31.982  1126.57   36.713  1243.06   65.136  407.650   6.6458  427.994   11.231 -20.34372 13.04955 
1 1 1   -8   10   13 o  779.989   10.475  4050.87   94.794  3976.23  108.387  4293.70  195.500  765.540   10.448  794.438   18.160 -28.89825 20.95056 
1 1 1   -8   10   14 o  201.762   5.0046  274.836   12.255  273.402   14.401  278.602   23.337  200.839   5.2913  202.684   8.4964 -1.844772 10.00928 
1 1 1   -8   10   15 o  597.935   8.4395  2432.03   59.646  2437.43   69.172  2416.38  117.783  599.499   8.5145  596.372   14.574 3.127075 16.87902 
1 1 1   -8   10   16 o  258.633   5.2488  449.435   16.264  444.821   18.941  462.386   31.732  256.172   5.4561  261.094   8.9684 -4.922394 10.49767 
1 1 1   -8   10   17 o  312.641   5.7958  662.584   24.555  662.584   24.555   0.0000   0.0000  312.641   5.7958  ?   ?       ?      ? 
1 1 1   -8   10   18 o  333.752   5.9676  755.110   26.990  755.110   26.990   0.0000   0.0000  333.752   5.9676  ?   ?       ?      ? 
1 1 1   -8   10   19 o  290.106   5.9417  576.532   22.547  593.848   28.624  548.219   36.601  295.943   7.1373  284.269   9.5013 11.67398 11.88339 
1 1 1   -8   10   20 o  149.027   5.0438  149.066   9.2764  146.956   10.999  154.267   17.266  147.240   5.5122  150.814   8.4484 -3.574265 10.08759 
1 1 1   -8   10   21 o  416.027   6.9345  1152.83   36.796  1112.96   44.635  1237.42   65.007  405.094   8.1309  426.960   11.235 -21.86572 13.86896 
1 1 1   -8   10   22 o  458.531   6.9246  1383.01   37.126  1342.52   42.501  1513.37   76.268  444.962   7.0484  472.100   11.921 -27.13785 13.84921 
1 1 1   -8   10   23 o  259.306   5.6234  456.056   18.936  456.095   23.617  455.988   31.685  259.357   6.7197  259.254   9.0186 0.1033936 11.24674 
1 1 1   -8   10   24 o  294.733   6.6931  589.447   26.732  586.229   37.813  592.664   37.797  293.928   9.4933  295.539   9.4376 -1.611298 13.38629 
1 1 1   -8   10   25 o  519.106   6.6439  1828.55   46.736  1832.91   66.280  1824.24   65.913  519.721   9.4108  518.492   9.3809 1.229065 13.28776 
1 1 1   -8   10   26 o  334.557   5.1546  758.409   23.358  726.789   32.515  792.125   33.575  327.357   7.3297  341.758   7.2497 -14.40115 10.30929 
1 1 1   -8   10   27 o  315.057   7.1041  673.192   30.330   0.0000   0.0000  673.192   30.330  ?   ?   315.057   7.1041      ?      ? 
1 1 1   -8   10   28 o  393.255   5.5849  1048.33   29.751  1082.07   42.774  1016.72   41.409  399.379   7.9034  387.132   7.8931 12.24631 11.16979 
1 1 1   -8   10   29 o  189.245   4.6414  242.677   11.897  249.479   17.152  236.369   16.517  191.798   6.5991  186.693   6.5286 5.105469 9.282757 
1 1 1   -8   10   30 o  731.344   12.293  3641.55  121.701  3785.02  177.296  3513.70  167.357  744.893   17.564  717.796   17.205 27.09686 24.58677 
1 1 1   -8   10   31 o  565.469   10.018  2175.84   76.740  2204.42  110.354  2149.08  106.787  569.037   14.311  561.902   14.024 7.134888 20.03684 
1 1 1   -8   10   32 o  298.168   5.9534  597.740   22.926  585.087   28.265  622.073   39.196  293.673   7.1023  302.661   9.5565 -8.988098 11.90672 
1 1 1   -8   10   33 o  272.965   4.8522  505.404   17.946  494.116   25.231  516.962   25.531  269.879   6.8990  276.051   6.8248 -6.172211 9.704377 
1 1 1   -8   10   34 o  301.245   7.0939  615.738   28.959  615.738   28.959   0.0000   0.0000  301.245   7.0939  ?   ?       ?      ? 
1 1 1   -8   10   35 o  318.599   6.2899  677.929   25.225  720.094   45.596  659.330   30.282  325.491   10.337  311.708   7.1689 13.78278 12.57973 
1 1 1   -8   10   36 o   79.965   9.7626   44.174   10.243   53.845   14.983   35.686   14.036   88.932   12.432   70.998   15.056 17.93359 19.52523 
1 1 1   -8   10   37 o  323.746   6.3724  716.289   26.353  724.951   32.376  699.283   45.367  326.811   7.3105  320.682   10.440 6.129639 12.74475 
1 1 1   -8   10   38 o  251.131   4.7716  426.939   16.218  453.247   23.620  403.469   22.309  258.433   6.7444  243.829   6.7517 14.60432 9.543158 
1 1 1   -8   10   39 o  116.521   5.0855   92.477   7.9921   88.490   11.738   95.923   10.912  114.160   7.5877  118.883   6.7733 -4.723366 10.17107 
1 1 1   -8   10   40 o  206.312   4.6510  288.481   12.989  297.318   18.904  280.576   17.879  209.297   6.6650  203.328   6.4887 5.969086 9.301910 
1 1 1   -8   10   41 o  398.406   6.9128  1066.72   34.971  1116.49   61.961  1043.45   42.363  404.888   11.293  391.923   7.9763 12.96414 13.82566 
1 1 1   -8   10   42 o  420.780   7.1775  1203.98   38.524  1207.72   66.961  1202.13   47.098  420.959   11.738  420.602   8.2633 0.3572083 14.35506 
1 1 1   -8   10   43 o  321.110   6.3256  705.938   25.912  686.751   44.680  715.663   31.808  317.602   10.381  324.618   7.2307 -7.016022 12.65111 
1 1 1   -8   10   44 o  288.487   4.9689  565.064   19.420  570.982   27.844  559.459   27.100  289.952   7.0863  287.022   6.9674 2.929504 9.937825 
1 1 1   -8   10   45 o  249.436   4.7821  421.914   16.151  437.579   23.426  407.721   22.299  253.839   6.8102  245.034   6.7153 8.805664 9.564272 
1 1 1   -8   10   46 o  257.435   4.8344  449.891   16.856  456.626   24.319  443.665   23.384  259.281   6.9214  255.590   6.7513 3.691238 9.668776 
1 1 1   -8   10   47 o  378.434   5.5722  973.080   28.562  989.245   41.167  958.076   39.660  381.449   7.9640  375.418   7.7957 6.030640 11.14444 
1 1 1   -8   10   48 o  257.893   6.0193  450.055   19.495  458.943   35.045  446.072   23.460  259.534   9.9644  256.253   6.7558 3.280273 12.03866 
1 1 1   -8   10   49 o  260.486   4.8791  459.740   17.198  486.855   25.150  435.926   23.570  267.676   6.9333  253.296   6.8666 14.38037 9.758118 
1 1 1   -8   10   50 o  221.123   4.7501  332.378   14.226  326.220   20.344  338.269   19.900  219.105   6.8518  223.140   6.5809 -4.034760 9.500258 
1 1 1   -8   10   51 o  168.305   6.9509  192.528   15.853  192.528   15.853   0.0000   0.0000  168.305   6.9509  ?   ?       ?      ? 
1 1 1   -8   10   52 o  321.291   5.1960  701.561   22.614  715.475   32.555  688.587   31.435  324.358   7.4064  318.223   7.2896 6.135040 10.39195 
1 1 1   -8   10   53 o  146.921   6.1096  140.904   11.533  129.110   13.972  166.115   20.429  137.771   7.4838  156.070   9.6592 -18.29941 12.21920 
1 1 1   -8   10   54 o  116.954   6.6083   89.810   9.9146   83.214   12.012  103.912   17.563  110.563   8.0169  123.345   10.507 -12.78161 13.21654 
1 1 1   -8   10   55 o  166.374   4.8303  187.862   10.874  194.372   15.912  182.158   14.895  169.064   6.9452  163.685   6.7151 5.379059 9.660700 
1 1 1   -8   10   56 o  196.872   5.6791  266.302   14.652  273.689   18.642  254.363   23.698  200.610   6.8573  193.134   9.0545 7.476364 11.35810 
1 1 1   -8   10   57 o  253.223   5.8917  436.993   19.469  437.177   24.445  436.672   32.195  253.488   7.1162  252.957   9.3920 0.5315704 11.78345 
1 1 1   -8   10   58 o  113.984   5.6017   89.079   8.5916   81.851   12.579   95.400   11.763  109.578   8.4711  118.389   7.3319 -8.811615 11.20343 
1 1 1   -8   10   59 o  206.982   4.8448  291.436   13.575  292.466   19.667  290.500   18.761  207.313   7.0006  206.652   6.6992 0.6603241 9.689569 
1 1 1   -8   10   60 o  103.817   5.7564   73.582   8.0573   72.352   11.959   74.603   10.903  102.987   8.5693  104.646   7.6886 -1.658531 11.51289 
1 1 1   -8   10   61 o  219.013   7.0159  326.566   20.823  326.566   20.823   0.0000   0.0000  219.013   7.0159  ?   ?       ?      ? 
1 1 1   -8   10   62 o  218.795   4.8940  325.574   14.494  333.822   21.105  318.212   19.940  221.397   7.0344  216.194   6.8062 5.203033 9.788090 
1 1 1   -8   10   63 f  131.307   7.1874  117.493   12.789   0.0000   0.0000  117.493   12.789  ?   ?   131.307   7.1874      ?      ? 
1 1 1   -8   10   64 o  115.602   7.4950   91.159   11.741   0.0000   0.0000   91.159   11.741  ?   ?   115.602   7.4950      ?      ? 
1 1 1   -8   10   65 o   92.306   6.3840   58.501   7.9100   57.156   11.963   59.545   10.543   91.290   9.6705   93.323   8.3370 -2.033218 12.76807 
1 1 1   -8   10   66 o  205.960   4.9294  289.720   13.738  282.650   19.817  296.262   19.063  203.494   7.1864  208.426   6.7492 -4.932327 9.858819 
1 1 1   -8   10   67 o  181.597   4.9509  225.597   12.160  213.659   17.411  236.963   16.989  176.845   7.2653  186.349   6.7276 -9.503860 9.901766 
1 1 1   -8   10   68 o  188.707   6.0848  237.397   14.653  224.603   17.723  265.040   26.050  181.255   7.2153  196.159   9.7998 -14.90488 12.16952 
1 1 1   -8   10   69 f  102.158   7.5579   72.496   9.7967   72.977   11.955   71.514   17.095  103.065   8.5593  101.252   12.459 1.813286 15.11583 
1 1 1   -8   10   70 o  190.817   7.1603  249.365   18.515  249.365   18.515   0.0000   0.0000  190.817   7.1603  ?   ?       ?      ? 
1 1 1   -8   10   71 o  188.053   4.9408  242.529   12.576  237.227   18.104  247.474   17.484  186.005   7.1824  190.100   6.7868 -4.095215 9.881697 
1 1 1   -8   10   72 o  109.551   5.7027   83.605   8.3587   70.411   12.041   95.875   11.612  100.942   8.8029  118.159   7.2520 -17.21700 11.40536 
1 1 1   -8   10   73 o  156.886   5.0337  168.880   10.692  175.931   15.538  162.540   14.734  159.975   7.1675  153.796   7.0696 6.178726 10.06738 
1 1 1   -8   10   74 o  167.455   5.8184  192.832   12.803  189.166   16.170  198.992   20.959  165.744   7.1992  169.166   9.1426 -3.422287 11.63686 
1 1 1   -8   10   75 o   72.563   7.7217   37.223   7.5235   37.731   10.037   36.572   11.366   73.337   10.100   71.788   11.683 1.548950 15.44350 
1 1 1   -8   10   76 o  114.692   6.5945   84.300   9.5158  114.031   17.928   72.638   11.228  127.121   10.407  102.263   8.1022 24.85847 13.18896 
1 1 1   -8   10   77 o   52.804   10.106   21.347   7.0642   19.772   12.915   22.019   8.4383   51.101   16.431   54.507   11.769 -3.405350 20.21100 
1 1 1   -8   10   78 f   62.742   9.4786   30.223   7.4496   26.884   13.218   31.777   9.0183   58.515   16.144   66.969   9.9373 -8.453930 18.95715 
1 1 1   -8   10   79 o  101.297   7.1206   71.527   9.1880   77.845   16.253   68.559   11.139  103.724   11.563   98.870   8.3136 4.853882 14.24120 
1 1 1   -8   10   80 f   54.766   12.654   22.870   9.2026   0.0000   0.0000   22.870   9.2026  ?   ?    54.766   12.654      ?      ? 
1 1 1   -8   10   81 o   74.793   10.695   41.782   10.594   28.574   13.692   61.478   16.721   59.222   16.465   90.363   13.655 -31.14100 21.39063 
1 1 1   -8   10   82 o   80.920   10.514   48.684   11.013   28.222   14.182   79.767   17.479   58.338   16.938  103.502   12.462 -45.16428 21.02894 
1 1 1   -8   10   83 f   83.802   10.264   52.107   11.115   38.338   14.162   74.196   17.937   68.778   15.558   98.825   13.394 -30.04639 20.52899 
1 1 1   -8   10   84 o   55.508   12.082   24.623   10.056   17.342   13.014   35.415   15.844   46.788   16.497   64.228   17.656 -17.43972 24.16350 
1 1 1   -8   10   85 o  125.791   8.2971  115.369   13.966   98.842   18.126  139.515   21.909  115.090   11.622  136.491   11.845 -21.40126 16.59423 
1 1 1   -8   10   86 o   44.360   11.796   13.285   9.7208   6.7388   12.552   23.094   15.365   36.956   15.313   51.765   17.946 -14.80875 23.59126 
1 1 1   -8   10   87 o   59.737   11.541   32.093   10.177   40.438   13.272   20.181   15.857   70.620   14.357   48.854   18.074 21.76615 23.08209 
1 1 1   -8   10   90 o   38.773   15.309   10.895   11.878   10.895   11.878   0.0000   0.0000   38.773   15.309  ?   ?       ?      ? 
1 1 1   -8   10   91 o   54.293   16.617   27.424   13.370   27.424   13.370   0.0000   0.0000   54.293   16.617  ?   ?       ?      ? 
1 1 1   -8   10   92 o   79.756   14.412   54.719   15.003   54.719   15.003   0.0000   0.0000   79.756   14.412  ?   ?       ?      ? 
1 1 1   -8   11    1 o  552.540   6.9461  2071.27   52.004  2053.36   72.865  2089.86   74.243  550.110   9.7744  554.969   9.8720 -4.859985 13.89229 
1 1 1   -8   11    2 o  533.809   6.7831  1931.05   49.038  2018.48   70.718  1850.07   68.058  545.435   9.5676  522.183   9.6178 23.25226 13.56619 
1 1 1   -8   11    3 o  451.610   7.5248  1389.84   43.432  1367.18   74.848  1401.34   53.328  448.697   12.310  454.523   8.6580 -5.826111 15.04953 
1 1 1   -8   11    4 o  750.898   10.901  3851.31  104.874  3779.44  179.704  3888.43  129.148  745.127   17.797  756.669   12.595 -11.54144 21.80282 
1 1 1   -8   11    5 o  456.656   7.5433  1400.74   43.679  1456.46   77.496  1374.80   52.878  463.114   12.348  450.198   8.6674 12.91513 15.08655 
1 1 1   -8   11    6 o  534.424   6.7863  1937.70   49.145  1966.62   69.780  1909.23   69.225  538.383   9.5643  530.464   9.6300 7.919434 13.57252 
1 1 1   -8   11    7 o  544.596   6.8799  2012.03   50.767  1990.69   71.130  2034.19   72.481  541.656   9.6905  547.536   9.7685 -5.879944 13.75973 
1 1 1   -8   11    8 o  353.320   5.3059  842.818   25.348  785.088   34.524  910.332   37.335  340.253   7.4876  366.387   7.5197 -26.13480 10.61173 
1 1 1   -8   11    9 o  297.864   4.9386  601.616   19.931  602.425   27.928  600.777   28.452  298.070   6.9142  297.658   7.0535 0.4124451 9.877175 
1 1 1   -8   11   10 o  357.109   5.3189  864.733   25.735  860.071   36.021  869.593   36.782  356.128   7.4639  358.090   7.5798 -1.961151 10.63777 
1 1 1   -8   11   11 o  371.066   6.1500  927.654   27.002  921.031   31.258  947.132   53.603  368.578   6.2582  373.554   10.589 -4.975952 12.30001 
1 1 1   -8   11   12 o  325.852   5.8117  723.155   22.545  726.419   26.260  714.004   43.968  327.339   5.9200  324.365   10.003 2.974579 11.62330 
1 1 1   -8   11   13 o  250.649   5.4512  425.884   18.516  425.884   18.516   0.0000   0.0000  250.649   5.4512  ?   ?       ?      ? 
1 1 1   -8   11   14 o  415.037   6.6704  1167.99   37.517  1167.99   37.517   0.0000   0.0000  415.037   6.6704  ?   ?       ?      ? 
1 1 1   -8   11   15 o  377.761   6.2164  959.887   27.789  951.324   32.156  985.144   55.225  374.579   6.3349  380.944   10.698 -6.364990 12.43278 
1 1 1   -8   11   16 o  226.766   5.1447  345.342   14.061  341.389   16.428  356.171   27.191  224.409   5.4019  229.123   8.7573 -4.714172 10.28933 
1 1 1   -8   11   17 o  415.481   6.5532  1147.08   31.983  1123.51   36.769  1220.34   64.826  407.045   6.6659  423.916   11.285 -16.87094 13.10638 
1 1 1   -8   11   18 o  492.446   7.8207  1651.29   49.456  1661.09   60.989  1632.47   84.513  494.762   9.0965  490.130   12.724 4.631927 15.64130 
1 1 1   -8   11   19 o  403.805   7.8547  1106.96   42.971  1142.67   61.372  1072.63   60.185  410.196   11.041  397.414   11.175 12.78140 15.70939 
1 1 1   -8   11   20 o  423.484   6.6648  1209.98   33.441  1202.37   38.748  1232.18   66.200  421.066   6.7907  425.903   11.470 -4.837280 13.32953 
1 1 1   -8   11   21 o  364.582   6.1342  905.693   26.743  909.919   31.229  894.071   51.790  366.314   6.2911  362.851   10.532 3.462708 12.26831 
1 1 1   -8   11   22 o  296.630   5.9252  600.665   22.694  609.190   28.215  585.045   38.192  299.697   6.9472  293.564   9.6005 6.133179 11.85043 
1 1 1   -8   11   23 o  199.847   5.3997  272.027   14.011  274.757   17.516  267.177   23.345  201.281   6.4217  198.412   8.6826 2.869049 10.79936 
1 1 1   -8   11   24 o  355.357   6.3759  835.898   28.870  797.465   34.905  919.122   51.364  342.849   7.5128  367.866   10.304 -25.01703 12.75173 
1 1 1   -8   11   25 o  277.189   5.9161  537.070   21.233  583.400   27.069  462.964   34.235  293.271   6.8110  261.107   9.6753 32.16446 11.83221 
1 1 1   -8   11   26 o  346.068   6.3331  809.357   28.204  801.321   34.723  824.939   48.353  343.660   7.4559  348.476   10.239 -4.816010 12.66626 
1 1 1   -8   11   27 o  650.288   9.6496  2862.27   80.329  2828.39   98.318  2930.29  139.317  645.035   11.248  655.542   15.683 -10.50665 19.29921 
1 1 1   -8   11   28 o  162.940   5.9365  179.891   11.968  181.077   22.026  179.395   14.255  163.257   9.9560  162.623   6.4687 0.6334839 11.87291 
1 1 1   -8   11   29 o  180.472   4.5419  221.049   11.100  211.700   15.704  230.383   15.692  176.652   6.5601  184.291   6.2833 -7.639633 9.083754 
1 1 1   -8   11   30 f  125.559   4.7903  107.289   8.1241   98.671   11.597  115.594   11.384  120.585   7.0970  130.534   6.4358 -9.948868 9.580523 
1 1 1   -8   11   31 o   88.868   5.5705   53.459   6.6842   55.375   9.9525   51.884   9.0218   90.309   8.1324   87.427   7.6149 2.882088 11.14102 
1 1 1   -8   11   32 o  286.094   6.9830  555.474   27.073  555.474   27.073   0.0000   0.0000  286.094   6.9830  ?   ?       ?      ? 
1 1 1   -8   11   33 o  256.700   6.7891  447.191   23.617  447.191   23.617   0.0000   0.0000  256.700   6.7891  ?   ?       ?      ? 
1 1 1   -8   11   34 o  313.563   6.3048  673.390   25.238  684.236   31.021  652.154   43.407  317.483   7.2102  309.644   10.345 7.838745 12.60955 
1 1 1   -8   11   35 o   80.123   6.3073   45.509   6.5370   31.553   9.5864   57.639   8.9372   68.103   10.387   92.143   7.1574 -24.04037 12.61460 
1 1 1   -8   11   36 o  106.009   5.2521   75.349   7.4701   92.181   11.217   61.936   10.013  116.523   7.1039   95.495   7.7378 21.02782 10.50429 
1 1 1   -8   11   37 o  147.533   5.6527  146.480   10.616  151.892   18.678  143.898   12.903  149.463   9.2219  145.602   6.5397 3.860367 11.30537 
1 1 1   -8   11   38 f  122.298   6.0156  102.084   9.2967  100.464   16.376  102.855   11.293  121.509   9.9455  123.086   6.7703 -1.577354 12.03119 
1 1 1   -8   11   39 o  257.455   5.9809  461.984   19.621  415.437   33.167  487.046   24.337  247.072   9.9059  267.838   6.7051 -20.76563 11.96185 
1 1 1   -8   11   40 o  477.898   6.3734  1552.86   41.266  1575.08   59.137  1531.77   57.611  481.218   9.0684  474.578   8.9580 6.640747 12.74685 
1 1 1   -8   11   41 o  140.704   6.1428  127.764   10.898  153.389   20.120  117.124   12.965  150.102   9.8916  131.306   7.2863 18.79626 12.28554 
1 1 1   -8   11   42 o  256.493   7.0022  448.006   24.335  438.678   34.358  457.398   34.473  253.803   9.9896  259.184   9.8150 -5.381577 14.00449 
1 1 1   -8   11   43 o  166.383   4.8681  187.505   10.959  197.942   16.056  178.401   14.995  170.702   6.9407  162.064   6.8279 8.638016 9.736165 
1 1 1   -8   11   44 o  456.211   6.2012  1415.95   38.331  1430.62   54.792  1401.89   53.644  458.514   8.8183  453.908   8.7210 4.606445 12.40235 
1 1 1   -8   11   45 o  143.351   6.1550  138.084   10.931  144.194   20.245  135.570   12.987  145.438   10.272  141.263   6.7841 4.175232 12.31007 
1 1 1   -8   11   46 o   87.773   7.6315   53.914   8.0728   49.568   15.138   55.641   9.5430   85.091   13.128   90.455   7.7852 -5.363602 15.26298 
1 1 1   -8   11   47 o  130.585   5.0426  115.663   8.8905  118.669   13.222  113.183   12.011  132.115   7.3851  129.055   6.8681 3.060013 10.08516 
1 1 1   -8   11   48 o  201.187   4.7464  275.498   12.918  264.829   18.583  285.476   17.971  197.390   6.9471  204.983   6.4694 -7.592712 9.492875 
1 1 1   -8   11   49 o  316.552   5.1795  681.267   22.211  686.919   31.894  675.946   30.949  317.813   7.4054  315.290   7.2436 2.523499 10.35904 
1 1 1   -8   11   50 o  187.692   4.8002  237.497   12.158  266.583   18.148  213.810   16.377  198.036   6.7624  177.349   6.8145 20.68611 9.600380 
1 1 1   -8   11   51 o  267.396   6.1477  483.474   21.018  476.230   25.675  498.189   36.596  264.619   7.1598  270.172   9.9956 -5.553925 12.29536 
1 1 1   -8   11   52 o  221.526   4.8619  333.665   14.589  334.841   20.964  332.561   20.314  221.894   6.9719  221.159   6.7782 0.7344055 9.723751 
1 1 1   -8   11   53 o  218.586   4.8339  324.643   14.304  330.913   20.783  319.000   19.717  220.576   6.9529  216.596   6.7175 3.979416 9.667819 
1 1 1   -8   11   54 o  107.203   6.5938   77.446   9.4965   71.435   12.474   85.735   14.647  102.342   8.9941  112.063   9.6448 -9.721275 13.18769 
1 1 1   -8   11   55 o  221.587   5.7140  328.547   16.576  312.578   20.680  357.239   27.721  214.327   7.1202  228.847   8.9388 -14.52036 11.42803 
1 1 1   -8   11   56 o  249.277   4.9209  423.025   16.612  415.788   23.793  429.909   23.205  247.174   7.1034  251.381   6.8119 -4.206573 9.841760 
1 1 1   -8   11   57 o   49.212   9.3186   17.742   6.5155   11.531   10.077   22.204   8.5411   42.538   14.543   55.886   11.655 -13.34844 18.63713 
1 1 1   -8   11   58 o  223.119   4.8943  337.929   14.774  354.890   21.669  323.199   20.195  228.323   7.0035  217.914   6.8386 10.40898 9.788526 
1 1 1   -8   11   59 o  135.548   5.2408  125.009   9.5822  126.985   14.302  123.399   12.908  136.485   7.7325  134.610   7.0761 1.874710 10.48156 
1 1 1   -8   11   60 o  174.923   4.9986  208.825   11.797  204.085   17.410  212.848   16.040  173.036   7.4249  176.810   6.6944 -3.773865 9.997186 
1 1 1   -8   11   61 o  134.170   7.1780  122.704   13.051   0.0000   0.0000  122.704   13.051  ?   ?   134.170   7.1780      ?      ? 
1 1 1   -8   11   62 o  108.337   8.7732   94.877   10.184   57.318   18.740  110.619   12.132   89.296   16.077  127.379   7.0281 -38.08234 17.54642 
1 1 1   -8   11   63 o  160.280   5.0283  174.284   10.884  186.986   16.241  163.931   14.663  165.530   7.2402  155.029   6.9796 10.50140 10.05665 
1 1 1   -8   11   64 o   71.547   7.3818   34.934   7.0918   37.519   10.930   33.054   9.3201   73.757   10.935   69.337   9.9191 4.419693 14.76352 
1 1 1   -8   11   65 o  131.458   5.3167  118.096   9.4415  119.163   13.942  117.192   12.831  131.960   7.7966  130.955   7.2305 1.005127 10.63333 
1 1 1   -8   11   66 o  124.394   6.6426  102.729   10.675   94.769   13.031  118.975   18.616  117.561   8.1795  131.226   10.469 -13.66466 13.28525 
1 1 1   -8   11   67 o   63.979   10.530   28.771   8.5730   26.022   10.481   34.329   14.901   59.838   13.273   68.121   16.350 -8.283264 21.05951 
1 1 1   -8   11   68 o  157.755   6.9247  170.378   14.804   0.0000   0.0000  170.378   14.804  ?   ?   157.755   6.9247      ?      ? 
1 1 1   -8   11   69 o  131.881   5.3035  120.307   9.4032  105.823   13.531  133.833   13.077  124.015   8.0517  139.748   6.9051 -15.73232 10.60704 
1 1 1   -8   11   70 o   91.798   6.0939   57.758   7.5507   64.078   11.284   52.634   10.160   96.304   8.6467   87.293   8.5892 9.011154 12.18771 
1 1 1   -8   11   71 o   41.488   9.1740   12.259   5.9708   7.1651   9.0759   16.146   7.9281   36.037   13.604   46.938   12.311 -10.90078 18.34795 
1 1 1   -8   11   72 o   69.820   7.5987   35.273   6.8755   29.918   10.170   39.780   9.3310   64.016   12.168   75.625   9.1051 -11.60896 15.19738 
1 1 1   -8   11   73 o  177.519   5.7884  214.515   13.499  202.841   16.920  234.959   22.391  171.425   7.2833  183.613   8.9987 -12.18748 11.57684 
1 1 1   -8   11   74 o   95.437   7.2866   60.867   8.8412   74.284   16.070   55.043   10.588  102.067   11.618   88.807   8.7977 13.25977 14.57326 
1 1 1   -8   11   75 o  167.916   6.2635  201.506   13.159  186.047   23.094  208.937   16.012  161.931   10.524  173.902   6.7944 -11.97134 12.52701 
1 1 1   -8   11   76 o   64.426   9.4912   36.306   7.6806   17.671   13.700   44.849   9.2754   48.848   16.945   80.003   8.5555 -31.15450 18.98235 
1 1 1   -8   11   77 o  104.018   7.3514   81.213   9.3301   67.204   16.450   87.857   11.329   95.741   12.679  112.294   7.4445 -16.55257 14.70282 
1 1 1   -8   11   78 o   43.582   10.369   13.753   6.8832   14.951   12.349   13.212   8.2906   45.185   16.055   41.979   13.125 3.206360 20.73702 
1 1 1   -8   11   79 o   68.297   16.987   38.251   15.657   0.0000   0.0000   38.251   15.657  ?   ?    68.297   16.987      ?      ? 
1 1 1   -8   11   80 o   58.053   11.449   25.669   9.7413   14.933   12.654   41.288   15.262   44.814   16.213   71.293   16.170 -26.47889 22.89833 
1 1 1   -8   11   81 o  103.009   8.8101   79.155   12.231   76.913   16.386   81.977   18.380  101.813   11.877  104.206   13.016 -2.392998 17.62012 
1 1 1   -8   11   82 o   50.700   12.146   21.130   9.8507   20.447   12.909   22.082   15.242   49.942   16.453   51.458   17.872 -1.516289 24.29195 
1 1 1   -8   11   83 o   59.733   11.939   27.852   10.264   17.599   12.984   44.933   16.758   46.830   16.482   72.636   17.277 -25.80672 23.87762 
1 1 1   -8   11   84 o   46.757   16.612   17.725   13.220   17.725   13.220   0.0000   0.0000   46.757   16.612  ?   ?       ?      ? 
1 1 1   -8   11   85 o   36.148   15.962   2.1457   15.330   0.0000   0.0000   2.1457   15.330  ?   ?    36.148   15.962      ?      ? 
1 1 1   -8   11   86 o   38.878   10.771   9.5676   8.8755   15.950   11.320  -0.6176   14.300   44.257   15.400   33.499   15.062 10.75726 21.54102 
1 1 1   -8   11   87 o   30.049   9.7366  -4.2380   8.5950  -7.5512   10.801   1.4812   14.191   25.823   12.128   34.276   15.235 -8.453154 19.47324 
1 1 1   -8   11   88 o   82.779   12.906   54.319   14.478   54.319   14.478   0.0000   0.0000   82.779   12.906  ?   ?       ?      ? 
1 1 1   -8   11   89 o   57.755   16.620   30.765   13.708   30.765   13.708   0.0000   0.0000   57.755   16.620  ?   ?       ?      ? 
1 1 1   -8   11   90 o   50.758   16.727   24.551   13.342   24.551   13.342   0.0000   0.0000   50.758   16.727  ?   ?       ?      ? 
1 1 1   -8   11   91 o   35.401   14.954   7.9056   12.325   7.9056   12.325   0.0000   0.0000   35.401   14.954  ?   ?       ?      ? 
1 1 1   -8   12    1 o  148.748   4.6239  150.086   9.3037  150.583   12.790  149.527   13.558  149.014   6.3339  148.482   6.7382 0.5315247 9.247763 
1 1 1   -8   12    2 o  150.668   4.6355  154.305   9.4412  160.781   13.086  147.275   13.635  153.979   6.2713  147.358   6.8280 6.620514 9.270972 
1 1 1   -8   12    3 o  224.437   4.6326  340.629   14.068  323.930   19.250  359.765   20.608  218.553   6.4998  230.321   6.6027 -11.76851 9.265183 
1 1 1   -8   12    4 o  187.343   4.5977  238.672   11.631  260.529   16.395  216.526   16.503  196.010   6.1725  178.676   6.8158 17.33366 9.195398 
1 1 1   -8   12    5 o  232.632   4.6479  367.316   14.640  378.094   20.504  356.105   20.911  236.122   6.4079  229.142   6.7343 6.979233 9.295779 
1 1 1   -8   12    6 o  155.014   4.6390  162.180   9.7214  150.111   13.230  176.342   14.332  148.776   6.5623  161.252   6.5587 -12.47566 9.277961 
1 1 1   -8   12    7 o  148.985   4.6612  150.580   9.3911  151.246   12.886  149.826   13.714  149.341   6.3676  148.629   6.8089 0.7120667 9.322416 
1 1 1   -8   12    8 o  148.170   6.3675  152.194   11.221  155.834   13.132  142.340   21.606  151.588   6.3924  144.752   11.014 6.836502 12.73505 
1 1 1   -8   12    9 o  433.113   7.4210  1257.94   40.188  1233.08   48.060  1315.74   73.277  426.279   8.3197  439.948   12.291 -13.66855 14.84196 
1 1 1   -8   12   10 o  112.419   5.1456   84.716   7.7909   76.315   10.352   95.694   11.832  106.067   7.2018  118.770   7.3515 -12.70316 10.29129 
1 1 1   -8   12   11 o  168.456   4.6540  191.407   10.593  178.724   14.325  206.710   15.735  162.334   6.5116  174.579   6.6510 -12.24437 9.307921 
1 1 1   -8   12   12 f  375.284   6.2324  947.068   27.622  937.997   31.925  974.078   55.086  371.901   6.3347  378.666   10.735 -6.764984 12.46472 
1 1 1   -8   12   13 f  382.610   6.7879  1014.11   33.535  1066.02   42.139  924.437   55.381  396.369   7.8451  368.850   11.080 27.51895 13.57585 
1 1 1   -8   12   14 o  552.365   9.7455  2075.50   72.929  2138.93  104.388  2015.02  101.929  560.612   13.741  544.118   13.824 16.49408 19.49092 
1 1 1   -8   12   15 o  212.851   5.1548  300.767   13.230  293.242   15.413  321.832   25.787  207.961   5.4690  217.741   8.7393 -9.780685 10.30951 
1 1 1   -8   12   16 o  433.794   6.7753  1260.06   34.575  1242.40   39.842  1313.94   69.584  427.960   6.8699  439.628   11.680 -11.66809 13.55061 
1 1 1   -8   12   17 o  412.516   6.6089  1156.85   32.310  1158.24   37.514  1152.87   63.587  413.216   6.6994  411.816   11.394 1.399292 13.21778 
1 1 1   -8   12   18 o  465.032   7.1408  1486.62   39.504  1506.22   46.104  1432.48   76.624  471.167   7.2207  458.898   12.322 12.26938 14.28152 
1 1 1   -8   12   19 o  153.165   5.1873  159.806   9.7069  160.633   11.485  157.736   18.161  153.910   5.5066  152.419   8.7924 1.490128 10.37450 
1 1 1   -8   12   20 f  306.334   6.0856  625.311   24.142  598.832   29.724  676.631   41.381  297.064   7.3837  315.603   9.6756 -18.53848 12.17111 
1 1 1   -8   12   21 o  352.542   6.0858  847.725   25.550  851.979   29.772  835.834   49.778  354.406   6.1990  350.677   10.475 3.728638 12.17169 
1 1 1   -8   12   22 o  177.955   5.1714  217.380   11.186  220.596   13.224  209.292   20.970  180.358   5.4108  175.552   8.8146 4.806717 10.34277 
1 1 1   -8   12   23 o  195.982   5.6467  265.018   14.560  280.829   18.814  241.410   22.989  203.441   6.8242  188.524   8.9985 14.91640 11.29350 
1 1 1   -8   12   24 o   78.870   7.5622   43.015   7.9459   48.873   10.834   36.197   11.689   84.811   9.4267   72.930   11.827 11.88081 15.12447 
1 1 1   -8   12   25 o  176.785   5.1134  213.174   11.046  214.579   13.076  209.673   20.641  177.872   5.4248  175.697   8.6695 2.175873 10.22681 
1 1 1   -8   12   26 o  141.995   5.3004  139.646   9.2268  143.610   11.010  130.296   16.910  145.508   5.5837  138.482   9.0111 7.025665 10.60087 
1 1 1   -8   12   27 o  214.610   5.2078  314.130   13.584  316.005   16.023  309.339   25.615  215.845   5.4781  213.376   8.8587 2.469711 10.41567 
1 1 1   -8   12   28 o  179.756   5.1982  222.431   11.398  226.562   13.520  212.281   21.192  182.760   5.4591  176.751   8.8478 6.009171 10.39637 
1 1 1   -8   12   29 o   87.916   6.0572   51.222   6.8182   48.754   8.2802   56.419   12.017   84.743   7.2103   91.088   9.7350 -6.345055 12.11437 
1 1 1   -8   12   30 o  166.590   5.5901  188.269   12.620  188.269   12.620   0.0000   0.0000  166.590   5.5901  ?   ?       ?      ? 
1 1 1   -8   12   31 f  200.535   9.0164  273.375   24.502  273.375   24.502   0.0000   0.0000  200.535   9.0164  ?   ?       ?      ? 
1 1 1   -8   12   32 o  196.084   5.4261  252.922   13.654  286.494   24.081  237.015   16.576  205.306   8.6556  186.863   6.5459 18.44322 10.85213 
1 1 1   -8   12   33 o  142.892   5.5812  137.449   10.274  142.790   17.652  134.714   12.634  144.915   8.9890  140.870   6.6180 4.044907 11.16241 
1 1 1   -8   12   34 o  168.362   5.5567  192.446   12.002  193.065   20.626  192.129   14.758  168.492   9.0334  168.233   6.4735 0.2592926 11.11343 
1 1 1   -8   12   35 o  119.920   5.0317   98.116   8.1374   91.437   11.834  104.107   11.208  116.014   7.5272  123.826   6.6792 -7.812218 10.06334 
1 1 1   -8   12   36 o  131.444   4.9300  117.499   8.7555  115.147   12.814  119.558   11.991  130.195   7.2630  132.692   6.6685 -2.496857 9.860041 
1 1 1   -8   12   37 o  254.293   4.8116  439.380   16.570  421.321   23.450  457.386   23.416  249.060   6.9480  259.526   6.6580 -10.46660 9.623119 
1 1 1   -8   12   38 o  135.703   4.9973  126.297   9.0968  108.486   13.098  142.894   12.644  126.342   7.6503  145.065   6.4317 -18.72302 9.994658 
1 1 1   -8   12   39 o  345.590   5.3222  811.324   24.918  827.948   35.770  795.651   34.731  349.022   7.5629  342.158   7.4905 6.864960 10.64444 
1 1 1   -8   12   40 f  150.835   4.7838  154.052   9.7602  162.869   14.345  146.451   13.318  154.837   6.8364  146.833   6.6934 8.003799 9.567581 
1 1 1   -8   12   41 o  261.617   4.8669  464.286   17.240  483.718   25.018  446.717   23.789  266.817   6.9193  256.417   6.8461 10.40039 9.733752 
1 1 1   -8   12   42 o   85.243   7.4020   42.341   7.7283   68.184   15.590   33.921   8.8986   99.915   11.514   70.571   9.3049 29.34384 14.80401 
1 1 1   -8   12   43 o  105.143   6.7892   73.283   8.7875   80.265   16.631   70.579   10.350  108.404   11.321  101.882   7.4967 6.522316 13.57833 
1 1 1   -8   12   44 o  179.964   4.7646  219.820   11.597  224.215   17.015  216.008   15.847  181.628   6.9132  178.300   6.5586 3.327454 9.529259 
1 1 1   -8   12   45 o  216.702   4.7906  319.379   14.052  314.165   20.264  324.209   19.504  214.979   6.9558  218.425   6.5892 -3.445740 9.581279 
1 1 1   -8   12   46 o  228.693   9.9327  356.812   30.782  356.812   30.782   0.0000   0.0000  228.693   9.9327  ?   ?       ?      ? 
1 1 1   -8   12   47 o  276.715   7.2096  522.613   27.021  499.768   37.917  546.185   38.517  270.542   10.342  282.888   10.047 -12.34583 14.41923 
1 1 1   -8   12   48 o  296.495   6.3462  600.404   24.197  602.990   29.878  595.474   41.246  297.708   7.4058  295.282   10.308 2.425842 12.69241 
1 1 1   -8   12   49 o   84.186   8.0881   44.808   8.8676   33.696   10.948   66.006   15.121   70.162   11.514   98.211   11.362 -28.04930 16.17625 
1 1 1   -8   12   50 o  125.305   5.4523  106.463   9.1962  110.483   13.939  103.365   12.238  127.363   8.0760  123.248   7.3272 4.114510 10.90454 
1 1 1   -8   12   51 o  306.558   6.2827  644.487   25.065  654.093   31.479  627.844   41.433  309.983   7.4937  303.133   10.086 6.850708 12.56542 
1 1 1   -8   12   52 o   87.381   7.4947   53.174   8.7044   59.253   11.699   45.638   13.027   93.174   9.2659   81.589   11.782 11.58485 14.98937 
1 1 1   -8   12   53 o  242.548   4.9289  399.996   16.180  406.547   23.561  394.149   22.259  244.404   7.1137  240.691   6.8245 3.712936 9.857885 
1 1 1   -8   12   54 o  164.371   5.0169  185.234   11.091  168.971   16.230  199.481   15.191  157.498   7.6042  171.245   6.5461 -13.74692 10.03371 
1 1 1   -8   12   55 o  172.320   4.9613  201.726   11.537  206.709   17.211  197.661   15.546  174.216   7.2902  170.425   6.7314 3.791122 9.922618 
1 1 1   -8   12   56 o  169.621   4.9803  195.396   11.398  201.457   17.040  190.489   15.332  171.961   7.3122  167.280   6.7637 4.680817 9.960663 
1 1 1   -8   12   57 o  118.705   5.5462   96.811   8.8085   91.223   13.345  101.125   11.725  115.577   8.5207  121.833   7.1020 -6.256447 11.09241 
1 1 1   -8   12   58 o   90.076   8.2731   56.616   8.7876   54.255   17.206   57.449   10.221   88.431   14.358   91.720   8.2235 -3.288849 16.54614 
1 1 1   -8   12   59 o   82.374   8.7428   46.416   9.7594   0.0000   0.0000   46.416   9.7594  ?   ?    82.374   8.7428      ?      ? 
1 1 1   -8   12   60 o  114.347   6.9699   87.596   9.7951   94.937   18.529   84.749   11.539  117.295   11.657  111.398   7.6439 5.896568 13.93986 
1 1 1   -8   12   61 o  173.446   5.0308  204.338   11.780  216.694   17.610  194.331   15.847  178.135   7.2949  168.757   6.9297 9.377914 10.06161 
1 1 1   -8   12   62 o   81.701   7.1911   47.931   7.6065   36.966   11.719   55.914   9.9993   73.043   11.839   90.358   8.1662 -17.31485 14.38210 
1 1 1   -8   12   63 o  220.119   4.9799  331.477   14.825  325.560   21.546  336.797   20.429  218.184   7.2874  222.053   6.7892 -3.868713 9.959824 
1 1 1   -8   12   64 o   87.742   8.3192   53.259   9.4933   52.516   11.837   54.598   15.894   87.202   10.017   88.282   13.285 -1.079910 16.63835 
1 1 1   -8   12   65 o   93.354   6.3224   59.382   7.9506   66.421   12.071   53.988   10.566   98.163   9.0744   88.544   8.8059 9.618484 12.64472 
1 1 1   -8   12   66 o  104.946   5.8390   76.553   8.2107   69.046   12.159   82.846   11.132  100.023   8.9705  109.870   7.4769 -9.846794 11.67791 
1 1 1   -8   12   67 o   41.784   8.9123   12.159   6.2102   1.8962   9.6209   19.489   8.1310   31.825   13.315   51.744   11.851 -19.91846 17.82460 
1 1 1   -8   12   68 o   84.543   6.5308   50.311   7.3599   43.831   10.953   55.646   9.9379   79.292   10.193   89.794   8.1670 -10.50195 13.06160 
1 1 1   -8   12   69 o  128.727   5.3246  114.919   9.2280  105.118   13.431  123.683   12.700  123.344   8.0353  134.110   6.9884 -10.76585 10.64910 
1 1 1   -8   12   70 o   71.692   7.1443   36.127   6.8970   34.915   10.237   37.134   9.3330   70.437   10.725   72.947   9.4413 -2.509567 14.28863 
1 1 1   -8   12   71 o  135.121   5.9991  124.228   10.708  115.375   13.506  139.206   17.568  129.082   7.7211  141.161   9.1839 -12.07823 11.99828 
1 1 1   -8   12   72 o   51.870   11.015   19.033   8.4921   28.764   13.377   12.465   10.991   60.967   15.993   42.772   15.152 18.19525 22.03056 
1 1 1   -8   12   73 o  104.660   7.7548   86.260   9.5929   57.811   16.514  100.748   11.785   88.755   13.730  120.564   7.2134 -31.80898 15.50965 
1 1 1   -8   12   74 o  151.595   6.4545  165.993   12.196  150.749   21.418  173.308   14.837  145.074   10.895  158.117   6.9244 -13.04356 12.90902 
1 1 1   -8   12   75 o   45.872   9.2517   17.091   7.2129  -0.7830   12.665   25.671   8.7750   33.010   14.546   58.733   11.436 -25.72239 18.50335 
1 1 1   -8   12   76 o   49.006   10.306   17.029   7.0866   25.348   12.331   12.926   8.6595   56.376   15.608   41.636   13.461 14.73997 20.61112 
1 1 1   -8   12   77 o   59.951   17.327   29.793   14.870   0.0000   0.0000   29.793   14.870  ?   ?    59.951   17.327      ?      ? 
1 1 1   -8   12   78 o   90.790   14.034   62.940   17.266   0.0000   0.0000   62.940   17.266  ?   ?    90.790   14.034      ?      ? 
1 1 1   -8   12   79 o   36.404   10.829   3.5710   8.9412  -0.9371   11.367   10.888   14.481   30.831   13.673   41.977   16.796 -11.14578 21.65789 
1 1 1   -8   12   80 o   49.222   16.778   19.793   13.411   19.793   13.411   0.0000   0.0000   49.222   16.778  ?   ?       ?      ? 
1 1 1   -8   12   81 o   80.760   16.774   54.590   17.758   0.0000   0.0000   54.590   17.758  ?   ?    80.760   16.774      ?      ? 
1 1 1   -8   12   82 o   50.478   11.789   18.951   9.6725   9.8788   12.350   33.345   15.556   39.313   15.582   61.643   17.695 -22.32978 23.57772 
1 1 1   -8   12   83 o   71.129   11.478   43.367   10.722   45.906   13.965   39.720   16.735   75.545   14.162   66.713   18.066 8.832031 22.95540 
1 1 1   -8   12   84 o   44.828   11.560   13.326   9.4804   4.3214   12.121   27.513   15.214   34.452   14.702   55.205   17.842 -20.75330 23.11935 
1 1 1   -8   12   85 o   61.172   11.974   32.696   10.104   29.083   12.999   38.211   16.062   57.676   16.046   64.668   17.777 -6.992809 23.94759 
1 1 1   -8   12   86 o   35.573   14.674   7.2580   11.453   7.2580   11.453   0.0000   0.0000   35.573   14.674  ?   ?       ?      ? 
1 1 1   -8   12   87 o   42.221   15.875   14.976   12.332   14.976   12.332   0.0000   0.0000   42.221   15.875  ?   ?       ?      ? 
1 1 1   -8   12   88 o   41.906   15.970   15.166   12.582   15.166   12.582   0.0000   0.0000   41.906   15.970  ?   ?       ?      ? 
1 1 1   -8   12   89 o   37.496   15.405   10.539   12.560   10.539   12.560   0.0000   0.0000   37.496   15.405  ?   ?       ?      ? 
1 1 1   -8   12   90 o   47.097   16.655   22.410   13.274   22.410   13.274   0.0000   0.0000   47.097   16.655  ?   ?       ?      ? 
1 1 1   -8   13    1 o  507.289   8.0569  1748.81   52.033  1745.36   63.489  1755.88   90.812  506.871   9.2431  507.707   13.199 -0.8359680 16.11373 
1 1 1   -8   13    2 o  128.706   6.7500  112.398   11.773  112.398   11.773   0.0000   0.0000  128.706   6.7500  ?   ?       ?      ? 
1 1 1   -8   13    3 o  244.286   6.5792  404.876   21.780  404.876   21.780   0.0000   0.0000  244.286   6.5792  ?   ?       ?      ? 
1 1 1   -8   13    4 o  150.798   6.5035  154.278   13.290  154.278   13.290   0.0000   0.0000  150.798   6.5035  ?   ?       ?      ? 
1 1 1   -8   13    5 o  243.607   5.7359  408.205   17.880  419.677   22.100  386.464   30.424  248.712   6.5571  238.502   9.4131 10.20982 11.47183 
1 1 1   -8   13    6 o  128.683   5.0363  112.167   8.7310  110.521   11.691  114.243   13.129  127.627   6.7594  129.739   7.4678 -2.111259 10.07262 
1 1 1   -8   13    7 o  509.349   8.0527  1768.66   52.485  1776.53   64.469  1753.19   90.383  511.368   9.3032  507.329   13.147 4.039307 16.10535 
1 1 1   -8   13    8 o   82.450   7.4540   46.485   8.2317   48.159   10.959   44.317   12.469   84.187   9.6060   80.712   11.401 3.474785 14.90794 
1 1 1   -8   13    9 o  169.076   5.5081  197.212   12.314  177.910   19.114  210.905   16.099  161.849   8.7148  176.303   6.7386 -14.45419 11.01613 
1 1 1   -8   13   10 o  168.754   4.7392  192.965   10.823  188.556   14.850  197.960   15.806  166.705   6.5734  170.802   6.8288 -4.097107 9.478494 
1 1 1   -8   13   11 o  279.627   4.9391  530.694   18.706  533.063   26.074  528.181   26.853  280.277   6.8649  278.976   7.1030 1.301300 9.878243 
1 1 1   -8   13   12 f  332.827   5.9342  744.356   23.322  736.290   26.946  768.436   46.557  329.453   6.0356  336.201   10.219 -6.747742 11.86831 
1 1 1   -8   13   13 o  358.466   6.5282  875.066   30.048  879.346   37.042  866.833   51.381  359.911   7.5948  357.020   10.620 2.890472 13.05634 
1 1 1   -8   13   14 o  236.602   5.3535  383.288   15.174  387.086   17.762  373.027   29.194  238.897   5.4864  234.307   9.1945 4.589767 10.70698 
1 1 1   -8   13   15 o  199.993   5.1603  266.071   12.376  260.085   14.381  283.162   24.300  195.824   5.4194  204.163   8.7831 -8.338867 10.32051 
1 1 1   -8   13   16 o  264.761   5.4510  469.897   17.221  463.353   19.995  488.699   33.892  261.362   5.6453  268.161   9.3266 -6.799500 10.90207 
1 1 1   -8   13   17 o  356.260   6.4873  860.297   29.638  855.685   36.395  869.378   51.068  355.013   7.5651  357.506   10.541 -2.492188 12.97470 
1 1 1   -8   13   18 o  309.128   9.8973  649.758   41.461   0.0000   0.0000  649.758   41.461  ?   ?   309.128   9.8973      ?      ? 
1 1 1   -8   13   19 o  220.613   6.7944  331.338   20.192  326.584   30.127  335.216   27.208  219.131   10.146  222.094   9.0401 -2.962799 13.58882 
1 1 1   -8   13   20 o  547.051   9.9233  2041.84   73.531  1957.94  102.949  2129.22  105.061  535.540   14.186  558.563   13.880 -23.02289 19.84653 
1 1 1   -8   13   21 o  355.257   6.5777  871.663   30.180  906.151   37.806  811.072   50.111  365.291   7.6372  345.223   10.711 20.06769 13.15536 
1 1 1   -8   13   22 o  134.421   5.6314  119.988   9.9417  112.311   12.429  133.628   16.566  128.618   7.1307  140.225   8.7180 -11.60678 11.26280 
1 1 1   -8   13   23 o  295.338   6.0624  596.284   23.241  605.351   29.088  580.281   38.647  298.590   7.1888  292.086   9.7638 6.504150 12.12478 
1 1 1   -8   13   24 o  180.271   5.5632  222.105   13.078  225.859   16.474  215.708   21.507  182.408   6.6646  178.133   8.9095 4.274872 11.12636 
1 1 1   -8   13   25 o  312.041   6.1752  660.105   24.833  656.169   30.654  667.619   42.358  310.845   7.2771  313.237   9.9788 -2.391693 12.35039 
1 1 1   -8   13   26 o  198.353   5.3014  270.761   12.720  275.215   15.000  259.362   23.997  201.407   5.4959  195.299   9.0671 6.107727 10.60272 
1 1 1   -8   13   27 o  169.170   5.5251  194.174   12.666  194.174   12.666   0.0000   0.0000  169.170   5.5251  ?   ?       ?      ? 
1 1 1   -8   13   28 o  132.821   5.7731  119.716   10.391  119.716   10.391   0.0000   0.0000  132.821   5.7731  ?   ?       ?      ? 
1 1 1   -8   13   29 o  214.994   5.2154  308.872   13.523  302.951   15.779  325.251   26.246  211.299   5.5107  218.689   8.8563 -7.389603 10.43082 
1 1 1   -8   13   30 o  154.333   5.2817  162.751   10.000  164.024   11.874  159.644   18.548  155.468   5.6360  153.199   8.9343 2.269104 10.56345 
1 1 1   -8   13   31 o  228.106   5.2920  352.399   14.598  351.007   17.124  356.104   27.929  227.428   5.5561  228.785   9.0083 -1.356491 10.58390 
1 1 1   -8   13   32 f  113.517   5.8055   90.268   8.1060   94.315   9.7413   81.157   14.616  117.868   6.0987  109.167   9.8802 8.701004 11.61090 
1 1 1   -8   13   33 o  221.364   5.3742  338.822   14.402  346.245   17.018  320.091   27.033  225.869   5.5600  216.860   9.1987 9.009186 10.74848 
1 1 1   -8   13   34 o  158.851   5.3144  170.890   10.405  170.027   12.355  172.996   19.299  158.265   5.7606  159.436   8.9325 -1.171249 10.62888 
1 1 1   -8   13   35 o  210.140   5.5877  297.574   15.208  291.310   18.815  309.379   25.831  207.083   6.7048  213.197   8.9407 -6.114182 11.17542 
1 1 1   -8   13   36 o  166.195   4.7221  186.850   10.612  203.184   15.581  172.715   14.494  172.944   6.6481  159.447   6.7079 13.49706 9.444175 
1 1 1   -8   13   37 o  190.633   4.7181  246.935   12.179  245.986   17.550  247.818   16.916  190.269   6.8064  190.997   6.5356 -0.7279205 9.436137 
1 1 1   -8   13   38 o  137.539   4.9162  128.290   9.1486  133.248   13.401  123.962   12.520  140.016   7.0627  135.061   6.8407 4.954361 9.832420 
1 1 1   -8   13   39 o  127.730   6.5171  111.084   10.088  111.301   19.186  111.001   11.860  127.660   11.090  127.799   6.8483 -0.1395264 13.03429 
1 1 1   -8   13   40 o  230.704   5.9409  357.242   17.158  375.606   31.247  349.314   20.530  234.691   9.8248  226.718   6.6821 7.972794 11.88183 
1 1 1   -8   13   41 o  303.100   5.1112  624.510   20.987  632.308   30.140  617.172   29.241  304.926   7.2940  301.274   7.1622 3.652069 10.22250 
1 1 1   -8   13   42 o  265.914   4.9570  481.012   17.853  466.350   25.355  495.430   25.143  261.875   7.1449  269.953   6.8730 -8.077820 9.914002 
1 1 1   -8   13   43 o  109.954   5.5609   81.485   8.2375   89.784   12.504   75.120   10.949  114.841   8.0345  105.066   7.6904 9.775101 11.12186 
1 1 1   -8   13   44 o  272.013   5.0034  503.373   18.434  498.376   26.410  508.120   25.743  270.678   7.2000  273.348   6.9496 -2.669617 10.00685 
1 1 1   -8   13   45 o  220.758   5.9611  324.190   16.896  308.648   20.582  356.308   29.588  213.009   7.1301  228.507   9.5552 -15.49762 11.92225 
1 1 1   -8   13   46 o  239.185   6.1438  390.980   18.861  393.138   23.251  386.826   32.256  240.387   7.1375  237.983   10.002 2.403687 12.28750 
1 1 1   -8   13   47 o  132.678   6.5203  125.292   11.206  146.265   14.730   96.479   17.265  146.592   7.4149  118.764   10.727 27.82806 13.04056 
1 1 1   -8   13   48 o  156.399   5.9570  166.969   12.274  167.733   15.647  165.746   19.791  156.976   7.3554  155.821   9.3724 1.154984 11.91404 
1 1 1   -8   13   49 o  235.882   5.8440  373.332   17.942  358.818   22.249  400.320   30.339  229.607   7.1507  242.158   9.2453 -12.55081 11.68794 
1 1 1   -8   13   50 o  143.262   5.2267  141.145   10.037  127.285   14.850  152.805   13.620  136.660   8.0185  149.865   6.7066 -13.20578 10.45341 
1 1 1   -8   13   51 o  165.285   5.0986  187.156   11.340  173.855   16.677  198.596   15.466  159.731   7.7044  170.838   6.6803 -11.10690 10.19727 
1 1 1   -8   13   52 o  112.313   6.9784   79.607   9.8339  104.441   18.575   69.936   11.592  123.393   11.108  101.233   8.4497 22.15926 13.95684 
1 1 1   -8   13   53 o  191.611   7.1406  251.682   18.521  245.009   26.587  257.972   25.815  189.084   10.376  194.137   9.8127 -5.053391 14.28127 
1 1 1   -8   13   54 o  178.169   5.1435  215.785   12.380  223.390   18.372  209.460   16.754  181.005   7.4900  175.334   7.0515 5.671738 10.28705 
1 1 1   -8   13   55 o  326.771   5.4226  728.318   23.984  734.352   34.833  722.879   33.073  328.007   7.8365  325.535   7.4972 2.471466 10.84521 
1 1 1   -8   13   56 o  100.528   8.1496   69.060   11.102   0.0000   0.0000   69.060   11.102  ?   ?   100.528   8.1496      ?      ? 
1 1 1   -8   13   57 o   76.533   10.189   46.644   8.6614   32.165   17.274   51.507   10.011   66.315   18.514   86.751   8.5154 -20.43651 20.37847 
1 1 1   -8   13   58 o  144.403   5.2613  141.861   10.216  147.207   15.561  137.811   13.543  146.720   7.8265  142.086   7.0335 4.634186 10.52252 
1 1 1   -8   13   59 o   58.946   8.9264   25.606   6.8818   20.283   11.004   29.026   8.8195   52.973   14.772   64.919   10.025 -11.94584 17.85280 
1 1 1   -8   13   60 o  196.975   5.0250  266.605   13.342  246.034   19.370  285.175   18.403  189.599   7.5390  204.352   6.6457 -14.75327 10.04992 
1 1 1   -8   13   61 o  243.484   6.3195  411.214   19.816  418.982   24.617  396.917   33.399  247.380   7.3434  239.589   10.287 7.791138 12.63900 
1 1 1   -8   13   62 o   98.421   8.0342   69.821   10.144   76.526   12.866   58.806   16.491  105.374   9.0099   91.467   13.305 13.90788 16.06848 
1 1 1   -8   13   63 o   97.084   6.5113   68.730   8.0599   45.690   11.983   87.766   10.892   81.013   10.915  113.155   7.1030 -32.14268 13.02265 
1 1 1   -8   13   64 o  101.667   5.8674   70.144   8.0185   80.790   12.316   62.313   10.564  108.238   8.3969   95.097   8.1975 13.14072 11.73489 
1 1 1   -8   13   65 o   87.790   6.4603   53.699   7.5750   51.642   11.610   55.223   9.9954   86.136   9.9467   89.444   8.2464 -3.308708 12.92051 
1 1 1   -8   13   66 o  160.306   5.0962  177.196   11.021  172.819   16.256  180.920   14.994  158.341   7.5758  162.272   6.8186 -3.931061 10.19238 
1 1 1   -8   13   67 o   45.454   9.2059   15.480   6.3798   7.5577   9.8140   21.278   8.3959   37.060   14.109   53.847   11.829 -16.78668 18.41171 
1 1 1   -8   13   68 o   67.546   7.9108   33.579   6.8711   27.461   10.305   38.476   9.2197   60.851   12.897   74.241   9.1641 -13.38973 15.82163 
1 1 1   -8   13   69 o  147.015   5.9177  144.624   11.445  127.733   14.261  175.186   19.183  135.706   7.7548  158.325   8.9409 -22.61923 11.83540 
1 1 1   -8   13   70 o   83.055   8.7718   49.505   9.7993   52.426   14.943   47.300   12.980   84.947   12.981   81.163   11.802 3.784401 17.54353 
1 1 1   -8   13   71 o   47.160   10.378   14.956   6.9009   22.945   12.654   11.574   8.2328   54.239   16.072   40.082   13.136 14.15670 20.75701 
1 1 1   -8   13   72 o   72.800   8.5722   34.842   7.8096   52.990   14.374   27.242   9.3023   85.145   12.458   60.455   11.778 24.68998 17.14432 
1 1 1   -8   13   73 o   53.321   10.241   22.482   7.3515   20.390   12.986   23.469   8.9181   50.925   16.487   55.717   12.153 -4.792286 20.48210 
1 1 1   -8   13   74 o   53.147   9.5084   23.752   7.3930   10.834   12.688   30.392   9.0967   41.329   15.965   64.964   10.333 -23.63511 19.01684 
1 1 1   -8   13   75 o   38.749   16.095   6.6370   13.916   0.0000   0.0000   6.6370   13.916  ?   ?    38.749   16.095      ?      ? 
1 1 1   -8   13   77 o   45.256   11.618   14.864   9.8243   22.752   13.335   5.5004   14.528   52.389   16.681   38.122   16.177 14.26689 23.23661 
1 1 1   -8   13   78 o   40.960   9.7636  -3.9232   8.8772 -26.6709   11.345   31.998   14.256   20.365   10.159   61.555   16.677 -41.19032 19.52722 
1 1 1   -8   13   79 o   71.402   11.296   41.958   10.602   38.701   14.140   46.141   16.024   68.489   15.586   74.315   16.355 -5.826012 22.59225 
1 1 1   -8   13   80 o   84.853   10.391   56.186   11.506   43.810   15.109   73.270   17.752   72.552   15.814   97.154   13.484 -24.60246 20.78244 
1 1 1   -8   13   81 f   60.125   11.873   31.946   10.144   35.349   13.425   27.417   15.487   64.935   15.476   55.314   18.011 9.621277 23.74677 
1 1 1   -8   13   82 o   34.019   10.461   2.9442   8.8865   2.2498   11.630   3.9185   13.776   32.498   14.138   35.540   15.424 -3.041660 20.92293 
1 1 1   -8   13   83 o   75.897   10.790   46.709   10.831   35.241   14.092   63.262   16.930   63.299   16.323   88.495   14.117 -25.19603 21.58057 
1 1 1   -8   13   84 o   55.095   12.053   28.085   9.8934   28.791   12.928   27.088   15.369   56.760   16.077   53.430   17.962 3.329700 24.10617 
1 1 1   -8   13   85 o   33.337   14.364   4.4270   11.777   4.4270   11.777   0.0000   0.0000   33.337   14.364  ?   ?       ?      ? 
1 1 1   -8   13   86 o   84.942   13.513   59.827   15.554   59.827   15.554   0.0000   0.0000   84.942   13.513  ?   ?       ?      ? 
1 1 1   -8   13   87 o   70.473   16.045   46.091   14.979   46.091   14.979   0.0000   0.0000   70.473   16.045  ?   ?       ?      ? 
1 1 1   -8   13   88 o   41.232   15.980   15.956   12.745   15.956   12.745   0.0000   0.0000   41.232   15.980  ?   ?       ?      ? 
1 1 1   -8   13   89 o   38.964   15.859   14.090   13.155   14.090   13.155   0.0000   0.0000   38.964   15.859  ?   ?       ?      ? 
1 1 1   -8   14    1 o  212.656   4.7158  306.490   13.560  300.026   18.491  314.010   19.945  210.245   6.4900  215.068   6.8436 -4.823105 9.431569 
1 1 1   -8   14    2 o  253.930   5.8917  445.142   19.058  459.641   23.480  417.150   32.625  260.218   6.6586  247.643   9.7217 12.57484 11.78341 
1 1 1   -8   14    3 o  150.943   6.3465  156.049   12.880  168.439   17.639  141.897   18.852  157.447   8.2671  144.439   9.6315 13.00890 12.69301 
1 1 1   -8   14    4 o   81.154   6.7199   44.210   7.3252   53.415   11.020   36.922   9.8052   88.635   9.1744   73.673   9.8212 14.96187 13.43975 
1 1 1   -8   14    5 f  154.008   4.7609  161.169   9.9101  163.393   13.586  158.640   14.488  155.156   6.4615  152.860   6.9939 2.295670 9.521870 
1 1 1   -8   14    6 o  261.735   4.8895  465.574   17.321  488.876   24.396  441.883   24.598  268.362   6.7082  255.109   7.1153 13.25351 9.778943 
1 1 1   -8   14    7 o  213.936   4.7493  310.048   13.745  300.434   18.787  321.122   20.162  210.382   6.5896  217.490   6.8410 -7.107803 9.498519 
1 1 1   -8   14    8 o  208.430   4.7341  295.100   13.352  298.830   18.455  291.003   19.340  209.825   6.4905  207.035   6.8934 2.789490 9.468151 
1 1 1   -8   14    9 o  103.013   5.6037   73.193   7.7031   82.484   10.506   62.390   11.328  110.220   7.0337   95.806   8.7255 14.41402 11.20749 
1 1 1   -8   14   10 o  277.240   4.9623  521.461   18.629  512.156   25.752  531.676   26.981  274.655   6.9189  279.824   7.1153 -5.168915 9.924608 
1 1 1   -8   14   11 o   89.200   5.9461   54.207   7.1463   55.431   9.6672   52.732   10.612   90.329   7.8975   88.071   8.8913 2.258224 11.89221 
1 1 1   -8   14   12 o  352.780   6.1276  835.965   25.462  825.935   29.374  866.272   51.061  348.849   6.2136  356.711   10.563 -7.861572 12.25516 
1 1 1   -8   14   13 o  150.452   5.3387  152.987   9.6028  152.135   11.184  155.375   18.733  149.745   5.5114  151.158   9.1451 -1.412186 10.67748 
1 1 1   -8   14   14 o  222.352   5.7853  340.523   16.764  353.698   21.227  318.690   27.326  228.240   6.8631  216.464   9.3154 11.77692 11.57061 
1 1 1   -8   14   15 o  187.445   5.6721  233.458   13.908  219.714   17.299  258.584   23.389  179.874   7.0967  195.017   8.8504 -15.14304 11.34429 
1 1 1   -8   14   16 o  334.086   6.0006  750.045   23.692  741.179   27.381  776.458   47.261  330.461   6.1143  337.710   10.327 -7.248627 12.00128 
1 1 1   -8   14   17 o  241.261   5.3960  391.817   15.450  387.996   17.904  402.961   30.577  239.130   5.5250  243.391   9.2705 -4.260864 10.79205 
1 1 1   -8   14   18 o   52.832   8.8116   21.535   6.0146   25.091   7.1219   12.693   11.231   60.748   8.6513   44.916   15.353 15.83230 17.62312 
1 1 1   -8   14   19 o  310.589   5.8761  660.535   21.678  665.795   25.245  645.766   42.302  313.207   5.9478  307.972   10.136 5.235474 11.75220 
1 1 1   -8   14   20 o  339.045   6.0540  771.521   24.242  761.250   27.997  802.287   48.455  334.881   6.1694  343.209   10.418 -8.328064 12.10804 
1 1 1   -8   14   21 o  360.581   6.2496  886.640   26.689  889.103   30.993  879.573   52.502  361.889   6.3198  359.274   10.784 2.614807 12.49915 
1 1 1   -8   14   22 o  187.279   5.2758  232.672   11.894  226.336   13.837  250.601   23.275  182.626   5.5910  191.932   8.9486 -9.306656 10.55162 
1 1 1   -8   14   23 o  310.088   5.9625  652.694   25.055  652.694   25.055   0.0000   0.0000  310.088   5.9625  ?   ?       ?      ? 
1 1 1   -8   14   24 f  350.596   6.2663  834.555   29.772  834.555   29.772   0.0000   0.0000  350.596   6.2663  ?   ?       ?      ? 
1 1 1   -8   14   25 o  313.103   5.9392  680.659   22.224  697.144   26.081  636.964   42.462  320.456   6.0058  305.751   10.248 14.70404 11.87847 
1 1 1   -8   14   26 o  218.836   5.3540  324.721   14.126  323.801   16.544  327.196   27.137  218.420   5.5893  219.251   9.1336 -0.8308258 10.70801 
1 1 1   -8   14   27 o  105.750   5.6705   69.829   7.5063   61.098   8.8266   92.642   14.268   94.834   6.8682  116.665   9.0247 -21.83142 11.34094 
1 1 1   -8   14   28 o  141.437   5.3661  133.808   9.3185  130.936   10.992  141.144   17.570  138.877   5.8406  143.996   9.0038 -5.119171 10.73227 
1 1 1   -8   14   29 o  198.590   5.3030  269.386   12.710  270.951   14.927  265.259   24.235  199.794   5.5133  197.386   9.0604 2.408096 10.60601 
1 1 1   -8   14   30 o   80.753   7.5750   49.648   7.0335   56.850   8.5625   34.705   12.333   91.468   6.9080   70.038   13.483 21.43014 15.15005 
1 1 1   -8   14   31 o  217.302   5.3629  318.871   14.072  316.242   16.475  325.965   27.061  215.829   5.6331  218.775   9.1276 -2.945862 10.72590 
1 1 1   -8   14   32 o  230.831   5.4345  359.486   15.124  356.096   17.685  368.718   29.180  229.014   5.6984  232.647   9.2556 -3.633362 10.86908 
1 1 1   -8   14   33 o  216.973   5.3944  314.786   14.137  308.484   16.508  332.125   27.380  213.148   5.7151  220.799   9.1507 -7.651962 10.78881 
1 1 1   -8   14   34 o  213.362   5.3636  304.900   13.907  299.113   16.305  320.349   26.643  209.878   5.7328  216.845   9.0668 -6.967224 10.72715 
1 1 1   -8   14   35 f   91.623   6.6160   57.385   7.7399   57.715   9.4906   56.728   13.375   92.111   7.6032   91.136   10.829 0.9752655 13.23200 
1 1 1   -8   14   36 o  291.408   6.2330  585.510   23.737  606.753   30.156  550.915   38.484  298.665   7.4509  284.151   9.9942 14.51465 12.46592 
1 1 1   -8   14   37 o  193.935   5.4788  258.281   13.012  261.498   15.451  250.436   24.128  196.214   5.8108  191.657   9.2900 4.556885 10.95763 
1 1 1   -8   14   38 o   75.720   7.4883   38.995   7.2551   38.640   8.8828   39.706   12.574   75.306   8.7044   76.134   12.187 -0.8283920 14.97663 
1 1 1   -8   14   39 o  247.566   5.8813  414.100   18.837  406.396   23.287  428.684   32.038  244.447   7.0297  250.686   9.4308 -6.238800 11.76256 
1 1 1   -8   14   40 o  144.184   5.1098  141.869   9.9454  135.361   14.510  147.635   13.658  141.025   7.5928  147.342   6.8403 -6.317154 10.21962 
1 1 1   -8   14   41 o  303.181   5.2061  625.709   21.380  605.118   30.257  646.245   30.215  298.174   7.4881  308.186   7.2349 -10.01187 10.41223 
1 1 1   -8   14   43 o  248.377   7.1873  419.824   24.191  419.824   24.191   0.0000   0.0000  248.377   7.1873  ?   ?       ?      ? 
1 1 1   -8   14   44 o  241.141   5.8427  384.371   18.270  357.729   22.423  436.984   31.511  229.255   7.2176  253.027   9.1898 -23.77202 11.68532 
1 1 1   -8   14   45 o  109.651   5.8355   81.239   8.6316   90.278   12.970   74.052   11.565  115.072   8.3172  104.229   8.1877 10.84343 11.67105 
1 1 1   -8   14   46 o  179.152   4.9765  217.814   12.040  225.999   17.916  211.073   16.258  182.186   7.2567  176.118   6.8119 6.067780 9.953016 
1 1 1   -8   14   47 o  230.184   4.9734  361.000   15.490  355.351   22.433  366.148   21.415  228.428   7.2471  231.940   6.8132 -3.512604 9.946858 
1 1 1   -8   14   48 f  327.002   5.3662  729.194   23.765  709.403   33.876  748.373   33.348  322.589   7.7492  331.414   7.4253 -8.824280 10.73243 
1 1 1   -8   14   49 o  106.371   5.9581   77.254   8.4915   77.193   13.017   77.299   11.204  106.274   9.0384  106.468   7.7655 -0.1937180 11.91615 
1 1 1   -8   14   50 o  128.310   5.4368  112.182   9.3631  113.118   14.286  111.477   12.397  128.722   8.1901  127.899   7.1524 0.8233109 10.87359 
1 1 1   -8   14   51 o   89.475   6.6327   55.505   7.8801   50.916   12.136   58.851   10.361   86.130   10.398   92.820   8.2374 -6.689743 13.26545 
1 1 1   -8   14   52 o  165.496   6.4916  193.833   13.098  172.797   23.879  202.885   15.665  158.446   11.121  172.546   6.6993 -14.10005 12.98328 
1 1 1   -8   14   53 o  146.756   6.9801  146.907   13.882   0.0000   0.0000  146.907   13.882  ?   ?   146.756   6.9801      ?      ? 
1 1 1   -8   14   54 o   85.224   9.7376   55.334   8.7909   44.673   18.344   58.512   10.016   77.957   17.760   92.492   7.9911 -14.53440 19.47528 
1 1 1   -8   14   55 o   92.114   6.4031   58.033   7.8615   59.412   12.343   57.092   10.197   92.929   9.8016   91.299   8.2419 1.630112 12.80628 
1 1 1   -8   14   56 o  198.923   5.0208  271.248   13.473  260.756   19.791  280.311   18.393  195.233   7.4805  202.613   6.6990 -7.380493 10.04169 
1 1 1   -8   14   57 o   49.251   9.6056   18.329   6.8880   10.214   11.195   23.273   8.7379   41.607   15.220   56.895   11.723 -15.28796 19.21116 
1 1 1   -8   14   58 o  117.606   8.2448   96.271   13.102   96.630   19.278   95.963   17.862  117.691   12.088  117.520   11.216 0.1717148 16.48957 
1 1 1   -8   14   59 o  117.507   7.0655   93.029   11.044   82.908   14.074  109.249   17.817  109.540   9.4809  125.474   10.479 -15.93405 14.13105 
1 1 1   -8   14   60 o  128.827   5.4793  113.898   9.5113  115.602   14.275  112.537   12.755  129.601   8.1278  128.052   7.3505 1.548706 10.95865 
1 1 1   -8   14   61 o  144.771   5.2616  144.943   10.236  135.699   15.189  152.634   13.855  140.361   7.9854  149.182   6.8535 -8.821136 10.52315 
1 1 1   -8   14   62 o   88.037   6.5676   54.459   7.6749   49.990   11.819   57.717   10.092   84.634   10.306   91.441   8.1443 -6.807655 13.13527 
1 1 1   -8   14   63 o  137.103   5.2757  129.425   9.7477  130.711   14.599  128.390   13.094  137.600   7.8292  136.605   7.0734 0.9945831 10.55132 
1 1 1   -8   14   64 o  104.559   5.9061   75.818   8.3168   75.717   12.460   75.899   11.169  104.361   8.8106  104.757   7.8676 -0.3952713 11.81211 
1 1 1   -8   14   65 o   53.629   9.0288   21.999   6.5170   16.639   9.9194   26.070   8.6445   47.388   14.272   59.870   11.062 -12.48157 18.05754 
1 1 1   -8   14   66 f   96.063   6.3124   65.614   8.0617   54.242   11.803   75.559   11.037   87.777   9.9228  104.349   7.8053 -16.57153 12.62481 
1 1 1   -8   14   67 o   71.456   10.085   37.117   9.5326   49.201   14.755   28.461   12.489   82.168   13.252   60.744   15.206 21.42368 20.17028 
1 1 1   -8   14   68 o   68.449   10.608   36.478   9.7372   29.177   14.536   42.422   13.115   60.584   17.008   76.314   12.681 -15.73054 21.21520 
1 1 1   -8   14   69 o   39.283   9.4679   10.403   7.1132  -6.0432   12.885   17.612   8.5310   30.416   13.918   48.149   12.839 -17.73329 18.93586 
1 1 1   -8   14   70 o   43.789   9.4414   15.239   7.1482  -1.1578   12.965   22.399   8.5681   33.067   14.636   54.510   11.930 -21.44240 18.88272 
1 1 1   -8   14   71 o   71.937   9.7234   43.344   8.3700   29.782   14.817   49.700   10.143   60.157   17.269   83.716   8.9411 -23.55898 19.44682 
1 1 1   -8   14   73 o   92.408   13.594   64.856   17.023   0.0000   0.0000   64.856   17.023  ?   ?    92.408   13.594      ?      ? 
1 1 1   -8   14   74 o   34.848   15.137   2.0873   13.291   0.0000   0.0000   2.0873   13.291  ?   ?    34.848   15.137      ?      ? 
1 1 1   -8   14   75 o   50.963   11.758   20.771   9.6437   13.458   13.170   29.225   14.160   43.175   16.366   58.751   16.887 -15.57601 23.51675 
1 1 1   -8   14   76 o   95.484   9.2586   69.026   11.916   61.200   15.969   78.859   17.899   89.362   13.187  101.605   13.000 -12.24230 18.51721 
1 1 1   -8   14   77 o   46.640   11.841   16.195   9.7243   9.3245   12.824   25.491   14.916   39.161   15.758   54.119   17.679 -14.95855 23.68221 
1 1 1   -8   14   78 o   36.576   10.809   6.3446   8.8984   6.4271   11.803   6.2359   13.545   35.952   14.869   37.201   15.694 -1.249718 21.61880 
1 1 1   -8   14   79 o   76.071   10.835   47.844   10.734   45.132   14.377   51.258   16.133   74.019   14.850   78.122   15.783 -4.103043 21.67058 
1 1 1   -8   14   80 o   41.565   11.210   12.364   9.3987   19.905   12.654   3.0853   14.037   48.020   16.298   35.110   15.396 12.90954 22.42016 
1 1 1   -8   14   81 o   58.537   11.836   30.222   9.9127   23.908   13.139   38.566   15.103   51.600   16.571   65.474   16.906 -13.87371 23.67244 
1 1 1   -8   14   82 o   70.131   11.451   43.263   10.791   32.372   14.546   56.592   16.092   58.925   17.168   81.337   15.158 -22.41217 22.90173 
1 1 1   -8   14   83 o   45.060   16.294   18.350   12.778   18.350   12.778   0.0000   0.0000   45.060   16.294  ?   ?       ?      ? 
1 1 1   -8   14   84 o   38.477   15.578   11.480   12.617   11.480   12.617   0.0000   0.0000   38.477   15.578  ?   ?       ?      ? 
1 1 1   -8   14   85 o   40.079   15.919   14.082   12.915   14.082   12.915   0.0000   0.0000   40.079   15.919  ?   ?       ?      ? 
1 1 1   -8   14   86 o   54.711   17.125   31.199   14.109   31.199   14.109   0.0000   0.0000   54.711   17.125  ?   ?       ?      ? 
1 1 1   -8   14   87 o   59.202   17.153   37.257   14.557   37.257   14.557   0.0000   0.0000   59.202   17.153  ?   ?       ?      ? 
1 1 1   -8   15    1 o  120.711   5.1547   98.065   8.3838   90.504   11.151  107.894   12.715  115.418   7.1297  126.004   7.4465 -10.58617 10.30933 
1 1 1   -8   15    2 f  155.380   4.8209  164.816   10.094  174.553   13.840  153.748   14.755  160.333   6.3697  150.428   7.2381 9.904785 9.641706 
1 1 1   -8   15    3 o   89.415   5.9071   53.694   7.1129   47.659   9.4645   61.526   10.782   83.715   8.3429   95.116   8.3650 -11.40152 11.81428 
1 1 1   -8   15    4 o   75.992   6.5488   40.191   6.5894   45.627   8.8558   33.448   9.8629   81.923   7.9770   70.061   10.388 11.86192 13.09763 
1 1 1   -8   15    5 o   90.559   5.8891   55.033   7.1790   48.765   9.5324   63.247   10.912   84.681   8.3068   96.437   8.3500 -11.75596 11.77811 
1 1 1   -8   15    6 o  140.208   4.9472  133.644   9.3686  134.827   12.771  132.266   13.786  140.896   6.6886  139.520   7.2913 1.375458 9.894488 
1 1 1   -8   15    7 o  119.676   5.2148   96.912   8.4302   92.472   11.385  102.301   12.543  116.663   7.2013  122.690   7.5444 -6.027412 10.42961 
1 1 1   -8   15    8 o  149.515   6.4696  153.344   12.188  148.843   21.505  155.474   14.794  147.761   10.740  151.270   7.2167 -3.508591 12.93929 
1 1 1   -8   15    9 f  286.893   6.4219  569.475   23.562  531.065   39.956  589.954   29.175  279.130   10.563  294.655   7.3066 -15.52524 12.84388 
1 1 1   -8   15   10 f  176.864   6.2504  214.470   14.051  208.079   24.384  217.646   17.191  174.745   10.297  178.984   7.0879 -4.239014 12.50086 
1 1 1   -8   15   11 o  317.201   5.2521  681.850   22.539  650.761   30.815  717.619   33.053  309.457   7.3481  324.945   7.5062 -15.48743 10.50422 
1 1 1   -8   15   12 o  118.537   5.8106   93.555   8.3714   91.135   9.7998  100.090   16.103  115.852   6.2421  121.223   9.8024 -5.370308 11.62115 
1 1 1   -8   15   13 o  171.911   5.3934  202.192   11.043  203.650   12.876  198.135   21.472  173.223   5.4853  170.599   9.2880 2.624725 10.78685 
1 1 1   -8   15   14 o  195.911   5.3557  262.111   12.523  263.492   14.612  258.289   24.306  197.036   5.4723  194.785   9.2081 2.251526 10.71145 
1 1 1   -8   15   15 o  249.364   5.5112  417.544   16.232  412.224   18.751  433.455   32.429  246.437   5.6147  252.290   9.4853 -5.853104 11.02248 
1 1 1   -8   15   16 o  238.515   5.4602  376.231   15.351  365.907   17.653  408.244   31.087  232.178   5.6106  244.851   9.3689 -12.67340 10.92044 
1 1 1   -8   15   17 f  194.812   5.3234  250.623   12.354  242.947   14.277  273.501   24.647  189.187   5.5688  200.436   9.0743 -11.24898 10.64679 
1 1 1   -8   15   18 o   61.256   8.7851   25.539   7.2925   25.539   7.2925   0.0000   0.0000   61.256   8.7851  ?   ?       ?      ? 
1 1 1   -8   15   19 f  165.812   5.5647  186.629   12.504  186.629   12.504   0.0000   0.0000  165.812   5.5647  ?   ?       ?      ? 
1 1 1   -8   15   20 o  218.783   5.9377  328.331   16.924  335.632   21.325  315.905   27.819  222.230   7.0811  215.337   9.5333 6.892365 11.87543 
1 1 1   -8   15   21 o  154.919   5.4885  162.903   10.168  162.552   11.855  163.880   19.776  154.738   5.6536  155.101   9.4091 -0.3634949 10.97700 
1 1 1   -8   15   22 f  233.651   5.4406  366.456   15.132  361.320   17.547  381.359   29.889  230.699   5.6126  236.604   9.3220 -5.905487 10.88124 
1 1 1   -8   15   23 o  148.297   5.4204  148.359   9.7698  146.863   11.479  152.292   18.609  147.070   5.7596  149.523   9.1842 -2.452652 10.84074 
1 1 1   -8   15   24 o  123.044   5.6734  101.495   8.5505   99.533   10.075  106.547   16.166  121.055   6.1417  125.034   9.5409 -3.978783 11.34678 
1 1 1   -8   15   25 o  177.472   5.3870  214.325   11.497  214.449   13.456  213.990   22.124  177.723   5.5873  177.222   9.2121 0.5007629 10.77406 
1 1 1   -8   15   26 o   55.040   8.9724   20.648   6.1191   19.309   7.2818   23.865   11.288   52.254   10.645   57.827   14.447 -5.573410 17.94488 
1 1 1   -8   15   27 o  166.572   5.4862  188.096   10.953  187.329   12.781  190.217   21.254  166.093   5.6783  167.051   9.3888 -0.9586487 10.97238 
1 1 1   -8   15   28 o  125.075   5.8797  107.584   8.8757  108.918   10.443  104.113   16.843  126.624   6.0861  123.525   10.062 3.098976 11.75948 
1 1 1   -8   15   29 o  208.929   5.4921  303.968   13.778  312.527   16.230  281.897   26.065  214.530   5.5829  203.328   9.4596 11.20226 10.98416 
1 1 1   -8   15   30 o   74.653   7.3423   37.334   6.9033   36.155   8.2853   40.010   12.484   72.863   8.3911   76.444   12.051 -3.580727 14.68456 
1 1 1   -8   15   31 o   88.795   6.6603   53.316   7.4373   52.561   8.9501   55.000   13.369   87.893   7.5143   89.696   10.999 -1.803345 13.32051 
1 1 1   -8   15   32 o  171.987   5.9896  203.674   13.578  211.623   17.492  191.622   21.539  176.372   7.3186  167.602   9.4835 8.770355 11.97912 
1 1 1   -8   15   33 o  187.360   5.9134  239.288   14.617  239.821   18.665  238.442   23.505  187.745   7.3361  186.974   9.2767 0.7715912 11.82690 
1 1 1   -8   15   34 o   69.081   8.6204   34.754   7.2454   37.368   8.8517   29.448   12.612   74.037   8.8226   64.125   14.812 9.911346 17.24077 
1 1 1   -8   15   35 o  226.126   5.8522  343.420   17.101  332.467   21.052  364.669   29.323  221.074   7.0272  231.178   9.3601 -10.10497 11.70442 
1 1 1   -8   15   36 o  163.936   6.0844  188.270   12.939  203.675   16.515  163.781   20.822  173.025   7.0435  154.847   9.9231 18.17773 12.16877 
1 1 1   -8   15   37 f  152.671   5.9258  150.029   11.832  127.189   14.580  194.084   20.250  136.653   7.8735  168.690   8.8583 -32.03706 11.85166 
1 1 1   -8   15   38 o  130.413   6.2895  115.709   10.703  114.862   13.413  117.193   17.759  129.876   7.6210  130.951   10.008 -1.075577 12.57909 
1 1 1   -8   15   39 o  128.258   6.6334  111.894   11.529  111.894   11.529   0.0000   0.0000  128.258   6.6334  ?   ?       ?      ? 
1 1 1   -8   15   40 o  128.340   6.2682  112.120   9.7572  111.769   11.471  113.038   18.555  128.181   6.6040  128.499   10.656 -0.3183289 12.53631 
1 1 1   -8   15   41 o  141.480   6.0718  143.600   10.508  154.821   12.713  119.404   18.669  150.886   6.2177  132.074   10.431 18.81161 12.14353 
1 1 1   -8   15   42 o  125.974   5.9654  106.170   9.5537  102.398   11.553  114.329   16.991  122.644   6.9513  129.305   9.6966 -6.660614 11.93087 
1 1 1   -8   15   43 o   63.180   9.2662   31.272   7.4713   38.706   9.3309   17.991   12.472   75.261   9.1490   51.099   16.117 24.16192 18.53239 
1 1 1   -8   15   44 o  145.689   5.1740  145.422   10.143  136.620   14.980  152.875   13.784  141.538   7.8102  149.840   6.7885 -8.301910 10.34805 
1 1 1   -8   15   45 o   76.906   7.0570   40.658   7.2261   39.759   11.254   41.289   9.4258   76.097   10.913   77.715   8.9502 -1.618042 14.11405 
1 1 1   -8   15   46 o  182.497   4.9541  222.951   12.143  263.994   18.648  192.741   15.999  196.822   6.9917  168.171   7.0205 28.65016 9.908118 
1 1 1   -8   15   47 o  136.786   5.3646  128.902   9.8103  119.039   14.803  136.627   13.100  131.983   8.2764  141.590   6.8276 -9.606522 10.72914 
1 1 1   -8   15   48 o  146.805   6.5453  149.199   11.672  144.229   21.890  151.173   13.797  144.704   11.163  148.907   6.8375 -4.203201 13.09057 
1 1 1   -8   15   49 o  114.006   7.4541   89.284   9.9913   89.803   19.899   89.108   11.553  113.785   12.905  114.227   7.4635 -0.4419403 14.90812 
1 1 1   -8   15   50 o  211.821   6.3784  309.305   16.473  304.200   30.841  311.342   19.485  210.017   10.836  213.624   6.7310 -3.606628 12.75676 
1 1 1   -8   15   51 o  172.639   5.1152  204.841   11.875  192.381   17.593  215.267   16.093  167.683   7.7424  177.596   6.6869 -9.912582 10.23034 
1 1 1   -8   15   52 o  225.363   5.0101  346.985   15.269  349.759   22.360  344.561   20.901  226.147   7.2964  224.579   6.8679 1.568604 10.02022 
1 1 1   -8   15   53 o  108.497   6.0265   81.884   8.7116   74.052   13.198   87.931   11.597  103.683   9.3934  113.311   7.5523 -9.627441 12.05294 
1 1 1   -8   15   54 o  169.031   5.1021  193.311   11.614  218.015   17.658  174.480   15.417  178.412   7.3037  159.649   7.1263 18.76303 10.20428 
1 1 1   -8   15   55 o  102.121   6.1799   71.863   8.4156   71.738   13.109   71.950   10.976  101.894   9.4941  102.348   7.9136 -0.4540710 12.35973 
1 1 1   -8   15   56 o   80.734   8.4785   45.388   9.0943   44.272   11.701   47.090   14.453   79.734   10.829   81.735   13.049 -2.001076 16.95703 
1 1 1   -8   15   57 o   44.432   9.3207   14.443   6.4777   6.1637   10.146   20.141   8.4164   36.304   14.205   52.560   12.071 -16.25589 18.64131 
1 1 1   -8   15   58 o  110.075   5.8046   83.135   8.5704   87.027   13.212   80.307   11.261  112.164   8.6923  107.986   7.6954 4.178116 11.60928 
1 1 1   -8   15   59 o  117.085   5.7062   95.916   8.9158   85.674   13.359  104.142   11.972  111.142   8.8700  123.027   7.1811 -11.88462 11.41247 
1 1 1   -8   15   60 o   66.589   8.1940   33.157   6.9384   25.264   10.608   39.059   9.1726   58.241   13.674   74.937   9.0325 -16.69624 16.38810 
1 1 1   -8   15   61 o   88.511   6.2386   54.080   7.4262   58.154   11.362   51.041   9.8123   91.298   9.1832   85.723   8.4468 5.574715 12.47715 
1 1 1   -8   15   62 o   50.667   8.7501   19.828   6.4088   9.9965   9.9146   26.884   8.3995   39.517   14.343   61.818   10.027 -22.30112 17.50025 
1 1 1   -8   15   63 o   76.766   8.9802   44.144   8.2202   40.551   14.843   45.733   9.8725   72.717   15.534   80.816   9.0146 -8.099068 17.96035 
1 1 1   -8   15   64 o   88.586   13.764   57.651   16.524   57.651   16.524   0.0000   0.0000   88.586   13.764  ?   ?       ?      ? 
1 1 1   -8   15   65 o   44.625   16.718   13.232   13.652   13.232   13.652   0.0000   0.0000   44.625   16.718  ?   ?       ?      ? 
1 1 1   -8   15   66 o   56.430   10.520   23.084   7.4099   29.255   14.582   20.936   8.6036   60.236   17.079   52.623   12.288 7.612461 21.03988 
1 1 1   -8   15   67 o   41.150   11.145   8.9549   8.6487   17.485   14.108   3.8186   10.947   48.198   17.157   34.101   14.229 14.09674 22.28947 
1 1 1   -8   15   68 o   65.734   14.499   33.877   12.568   0.0000   0.0000   33.877   12.568  ?   ?    65.734   14.499      ?      ? 
1 1 1   -8   15   69 o   59.687   9.9312   30.210   7.7706   19.808   14.165   34.689   9.2940   49.908   17.235   69.466   9.8730 -19.55796 19.86234 
1 1 1   -8   15   70 o   46.650   11.345   15.502   9.3169   5.9509   12.867   26.030   13.509   37.208   15.467   56.091   16.602 -18.88321 22.69083 
1 1 1   -8   15   71 o   31.691   14.136  -1.3730   12.330   0.0000   0.0000  -1.3730   12.330  ?   ?    31.691   14.136      ?      ? 
1 1 1   -8   15   72 o   78.050   14.997   48.896   15.286   0.0000   0.0000   48.896   15.286  ?   ?    78.050   14.997      ?      ? 
1 1 1   -8   15   73 o   40.938   11.241   11.393   8.9422   12.381   12.289   10.280   13.037   41.642   15.803   40.234   15.990 1.408493 22.48149 
1 1 1   -8   15   74 o   38.213   10.795   7.5026   8.6823   1.4392   11.727   14.859   12.916   32.446   14.154   43.981   16.304 -11.53474 21.59053 
1 1 1   -8   15   75 o   25.978   8.6822  -9.3610   7.9930  -9.2493   10.701  -9.5019   12.021   25.136   11.887   26.819   12.657 -1.682215 17.36440 
1 1 1   -8   15   76 o   36.636   9.8192  -2.3526   8.5776 -21.7745   11.384   23.155   13.046   21.543   10.647   51.728   16.502 -30.18472 19.63846 
1 1 1   -8   15   77 o   56.395   10.723   24.271   9.7624   6.3783   12.855   48.650   15.005   36.343   15.308   76.448   15.020 -40.10442 21.44618 
1 1 1   -8   15   78 o   33.824   10.036   2.4640   8.6300   12.498   11.550 -10.2158   12.984   40.327   15.317   27.321   12.971 13.00534 20.07174 
1 1 1   -8   15   79 o   39.752   10.870   10.768   9.2442   19.694   12.189  -1.3190   14.183   47.159   15.995   32.346   14.725 14.81239 21.74097 
1 1 1   -8   15   80 o   51.475   12.021   24.610   9.8229   19.550   13.282   30.718   14.594   46.279   16.628   56.672   17.364 -10.39329 24.04187 
1 1 1   -8   15   81 o   26.409   12.392  -6.1546   11.231  -6.1546   11.231   0.0000   0.0000   26.409   12.392  ?   ?       ?      ? 
1 1 1   -8   15   82 o   40.435   15.845   14.294   12.638   14.294   12.638   0.0000   0.0000   40.435   15.845  ?   ?       ?      ? 
1 1 1   -8   15   83 o   73.024   15.755   49.926   15.133   49.926   15.133   0.0000   0.0000   73.024   15.755  ?   ?       ?      ? 
1 1 1   -8   15   84 o   24.003   11.591 -10.6188   11.376 -10.6188   11.376   0.0000   0.0000   24.003   11.591  ?   ?       ?      ? 
1 1 1   -8   16    1 o  164.406   6.4153  184.393   13.385  183.397   23.444  184.875   16.303  163.919   10.554  164.893   7.2960 -0.9737396 12.83055 
1 1 1   -8   16    2 o  198.251   7.1236  267.197   19.138   0.0000   0.0000  267.197   19.138  ?   ?   198.251   7.1236      ?      ? 
1 1 1   -8   16    3 o   93.892   8.9890   60.050   11.437   0.0000   0.0000   60.050   11.437  ?   ?    93.892   8.9890      ?      ? 
1 1 1   -8   16    4 o  134.825   7.6050  123.635   13.895   0.0000   0.0000  123.635   13.895  ?   ?   134.825   7.6050      ?      ? 
1 1 1   -8   16    5 o   89.651   6.9289   54.593   8.3747   56.789   12.594   52.852   11.213   91.239   10.186   88.064   9.3961 3.174782 13.85776 
1 1 1   -8   16    6 o  199.019   5.7055  270.857   15.031  263.131   23.790  275.990   19.391  196.549   8.9317  201.489   7.1018 -4.939209 11.41106 
1 1 1   -8   16    7 o  170.203   5.7999  200.176   13.097  179.984   20.093  215.092   17.270  162.537   9.1226  177.869   7.1648 -15.33264 11.59984 
1 1 1   -8   16    8 o  238.246   5.8108  386.717   18.266  384.530   29.349  388.099   23.337  237.573   9.1162  238.918   7.2080 -1.345245 11.62153 
1 1 1   -8   16    9 o  152.504   5.7517  157.274   11.718  164.104   18.338  152.559   15.234  155.235   8.7171  149.772   7.5060 5.462860 11.50335 
1 1 1   -8   16   10 o  120.060   6.2643   99.542   10.026   88.734   15.088  108.090   13.418  114.075   9.7602  126.044   7.8554 -11.96866 12.52868 
1 1 1   -8   16   11 o  111.801   6.6318   87.546   9.7659   71.068   14.698  100.570   13.067  102.028   10.631  121.575   7.9316 -19.54685 13.26353 
1 1 1   -8   16   12 o  266.525   6.8368  485.368   24.640  512.606   34.466  456.893   35.240  274.257   9.2736  258.794   10.048 15.46240 13.67370 
1 1 1   -8   16   13 o   73.493   9.1465   36.806   9.1093   36.806   9.1093   0.0000   0.0000   73.493   9.1465  ?   ?       ?      ? 
1 1 1   -8   16   14 o   66.778   9.2135   30.391   8.3376   30.391   8.3376   0.0000   0.0000   66.778   9.2135  ?   ?       ?      ? 
1 1 1   -8   16   15 o   82.742   7.3410   48.421   7.0996   50.226   8.2682   43.354   13.852   85.947   7.0990   79.537   12.852 6.410316 14.68192 
1 1 1   -8   16   16 o  111.507   6.5777   89.267   9.0817   97.497   11.130   72.876   15.708  119.758   6.8584  103.255   11.226 16.50307 13.15539 
1 1 1   -8   16   17 o  173.452   5.7716  204.542   12.799  204.005   15.679  205.614   22.157  173.245   6.6784  173.658   9.4152 -0.4127808 11.54324 
1 1 1   -8   16   18 o  205.202   5.7499  284.375   15.083  279.889   18.417  293.513   26.284  202.919   6.6976  207.485   9.3480 -4.566299 11.49972 
1 1 1   -8   16   19 o  155.219   9.5135  164.315   20.011   0.0000   0.0000  164.315   20.011  ?   ?   155.219   9.5135      ?      ? 
1 1 1   -8   16   20 o  329.863   6.4709  747.112   27.323  758.451   33.671  725.253   46.752  333.894   7.4417  325.832   10.588 8.062286 12.94171 
1 1 1   -8   16   21 o  178.812   5.7102  212.198   13.092  201.536   15.918  234.492   23.017  172.168   6.8225  185.457   9.1585 -13.28883 11.42042 
1 1 1   -8   16   22 o  137.159   6.0806  128.016   10.666  127.693   13.073  128.660   18.449  137.025   7.0402  137.293   9.9162 -0.2678833 12.16125 
1 1 1   -8   16   23 o  149.355   5.8630  149.355   11.248  144.124   13.744  159.965   19.573  145.576   6.9668  153.133   9.4321 -7.557205 11.72607 
1 1 1   -8   16   24 o  119.948   6.1737   92.400   9.5687   80.737   11.611  117.085   16.892  108.899   7.8681  130.997   9.5158 -22.09818 12.34743 
1 1 1   -8   16   25 o  109.118   6.6645   78.818   9.3667   73.893   11.419   88.946   16.376  104.163   8.0897  114.073   10.593 -9.909958 13.32907 
1 1 1   -8   16   26 o  151.727   6.0094  153.257   11.747  145.745   14.361  168.447   20.422  146.358   7.2407  157.097   9.5930 -10.73961 12.01888 
1 1 1   -8   16   27 o   66.753   9.5013   29.904   8.3619   22.953   10.750   40.551   13.305   56.651   14.068   76.855   12.775 -20.20417 19.00253 
1 1 1   -8   16   28 f   98.043   8.6370   66.593   11.327   60.903   16.990   71.146   15.197   94.123   13.320  101.964   10.999 -7.840996 17.27405 
1 1 1   -8   16   29 o   84.875   8.4062   49.051   9.5993   46.740   12.716   52.112   14.637   82.610   11.359   87.140   12.395 -4.529564 16.81245 
1 1 1   -8   16   30 o  102.216   6.5969   72.096   8.2703   73.190   9.8400   69.465   15.263  103.715   7.0011  100.718   11.183 2.997742 13.19377 
1 1 1   -8   16   31 o   69.879   8.7930   36.122   7.3104   39.098   8.7933   29.461   13.154   75.722   8.5694   64.036   15.357 11.68608 17.58597 
1 1 1   -8   16   32 o  190.477   5.5749  245.640   12.771  243.841   14.920  250.568   24.697  189.420   5.8125  191.535   9.5149 -2.114548 11.14984 
1 1 1   -8   16   33 o  115.381   6.3553   91.971   8.9990   93.539   10.717   88.221   16.572  117.253   6.7446  113.509   10.773 3.744316 12.71053 
1 1 1   -8   16   34 o  147.906   5.9019  152.232   10.590  156.261   12.549  142.262   19.739  151.598   6.1085  144.215   10.100 7.382935 11.80382 
1 1 1   -8   16   35 o  117.897   6.8958   94.611   11.017   94.611   11.017   0.0000   0.0000  117.897   6.8958  ?   ?       ?      ? 
1 1 1   -8   16   36 o   21.750   10.277  -9.1207   7.9655  -9.1207   7.9655   0.0000   0.0000   21.750   10.277  ?   ?       ?      ? 
1 1 1   -8   16   37 o  194.368   5.5545  252.194   13.169  245.464   15.452  270.062   25.178  189.983   6.0017  198.753   9.3481 -8.769363 11.10890 
1 1 1   -8   16   38 o   90.361   7.0305   53.647   8.1395   49.408   9.8404   62.830   14.484   85.063   8.5368   95.660   11.173 -10.59770 14.06091 
1 1 1   -8   16   39 o  130.581   6.0549  114.097   9.9051  110.407   11.834  122.730   18.102  127.317   6.8590  133.846   9.9801 -6.528419 12.10981 
1 1 1   -8   16   40 o  211.939   5.6997  309.318   14.703  312.826   17.389  300.518   27.539  214.423   5.9843  209.455   9.7023 4.967606 11.39943 
1 1 1   -8   16   41 o   71.745   8.6146   35.020   7.8132   32.675   9.5973   39.628   13.455   69.000   10.264   74.490   13.838 -5.489815 17.22918 
1 1 1   -8   16   42 o  110.697   7.0462   84.101   10.431   84.151   13.695   84.031   16.098  110.851   9.1165  110.544   10.746 0.3068008 14.09235 
1 1 1   -8   16   43 o  143.743   6.4069  138.719   12.272  126.982   15.732  156.965   19.614  136.224   8.5223  151.262   9.5688 -15.03773 12.81371 
1 1 1   -8   16   44 o   52.865   10.999   19.334   8.5314   13.968   11.474   25.970   12.759   45.959   15.519   59.770   15.590 -13.81110 21.99766 
1 1 1   -8   16   45 o  131.950   6.0020  114.464   10.057  106.290   12.066  133.060   18.199  124.759   7.1369  139.141   9.6520 -14.38171 12.00402 
1 1 1   -8   16   46 o  174.148   6.2381  212.208   14.385  233.935   19.097  183.718   21.869  184.933   7.6204  163.363   9.8785 21.56960 12.47617 
1 1 1   -8   16   47 o  118.906   6.9250   98.840   10.987  112.037   15.041   83.744   16.087  127.750   8.6885  110.061   10.786 17.68878 13.85001 
1 1 1   -8   16   48 o   51.338   10.471   18.847   7.7628   15.111   10.743   22.929   11.230   46.638   14.985   56.039   14.630 -9.401218 20.94229 
1 1 1   -8   16   49 o  132.915   5.5452  123.984   9.7497   99.516   14.367  144.872   13.274  120.263   8.8156  145.567   6.7292 -25.30460 11.09034 
1 1 1   -8   16   50 o   59.103   8.9019   26.749   6.9191   17.138   10.955   33.127   8.9246   48.948   15.052   69.257   9.5091 -20.30969 17.80385 
1 1 1   -8   16   51 o  121.778   7.2193  101.680   11.914   0.0000   0.0000  101.680   11.914  ?   ?   121.778   7.2193      ?      ? 
1 1 1   -8   16   52 o  146.157   6.3642  142.984   12.247  129.403   15.312  167.100   20.404  137.057   8.2440  155.257   9.6980 -18.20020 12.72846 
1 1 1   -8   16   53 o  126.001   6.5782  108.519   10.997  102.981   14.030  117.339   17.707  122.130   8.4771  129.873   10.061 -7.742729 13.15641 
1 1 1   -8   16   54 o   60.691   8.5225   25.682   6.6442   33.223   10.770   21.049   8.4421   67.696   12.189   53.686   11.915 14.01010 17.04491 
1 1 1   -8   16   55 f  136.430   5.4016  129.901   9.8358  117.359   14.798  139.826   13.164  130.215   8.3862  142.646   6.8102 -12.43069 10.80313 
1 1 1   -8   16   56 o   60.444   8.6676   25.594   6.7449   33.943   10.928   20.456   8.5728   68.208   12.274   52.680   12.242 15.52766 17.33511 
1 1 1   -8   16   57 o   49.506   9.4302   18.167   6.3631   18.448   10.205   17.988   8.1392   49.711   14.350   49.301   12.239 0.4097404 18.86045 
1 1 1   -8   16   58 o   82.295   6.6027   47.316   7.2807   48.066   11.193   46.766   9.5859   82.667   9.9913   81.922   8.6347 0.7447586 13.20546 
1 1 1   -8   16   59 o   43.115   9.3580   13.860   6.0993   10.112   9.5530   16.440   7.9247   39.267   14.103   46.964   12.304 -7.697197 18.71604 
1 1 1   -8   16   60 o   48.555   9.5428   17.524   7.4466   28.648   10.154   4.5810   10.953   61.978   12.521   35.132   14.404 26.84613 19.08553 
1 1 1   -8   16   61 o  111.239   8.0854   88.147   12.054   94.978   18.721   83.310   15.754  114.517   12.064  107.961   10.768 6.555473 16.17085 
1 1 1   -8   16   62 o   24.574   8.1681  -7.5023   6.5830 -17.4616   12.620  -3.7795   7.7159   25.224   12.187   23.923   10.879 1.300516 16.33627 
1 1 1   -8   16   63 o   63.197   15.055   31.395   12.710   0.0000   0.0000   31.395   12.710  ?   ?    63.197   15.055      ?      ? 
1 1 1   -8   16   64 o  109.398   7.6885   85.177   10.114   89.826   19.537   83.475   11.821  109.801   13.130  108.996   8.0033 0.8051605 15.37708 
1 1 1   -8   16   65 o  105.521   7.6035   83.713   9.7271   73.171   17.581   88.363   11.677   98.847   13.125  112.194   7.6805 -13.34728 15.20693 
1 1 1   -8   16   66 o   91.034   8.8501   65.602   9.1620   54.162   16.925   70.344   10.897   82.235   15.761   99.832   8.0545 -17.59652 17.70018 
1 1 1   -8   16   67 o   47.095   11.726   17.219   9.5169   12.139   13.857   21.754   13.093   42.657   16.626   51.534   16.541 -8.877281 23.45280 
1 1 1   -8   16   68 o   73.867   14.895   43.686   14.395   0.0000   0.0000   43.686   14.395  ?   ?    73.867   14.895      ?      ? 
1 1 1   -8   16   69 o   49.660   16.622   20.333   13.161   0.0000   0.0000   20.333   13.161  ?   ?    49.660   16.622      ?      ? 
1 1 1   -8   16   70 o   83.995   9.8168   55.371   10.780   45.789   15.060   65.439   15.437   74.890   15.355   93.100   12.236 -18.20980 19.63368 
1 1 1   -8   16   71 o   36.880   10.234   3.7633   8.4558  -8.4037   11.480   18.193   12.502   26.657   12.515   47.104   16.196 -20.44757 20.46766 
1 1 1   -8   16   72 o   39.365   11.039   9.3980   8.8726   4.8711   11.993   14.872   13.188   34.924   14.752   43.806   16.427 -8.881378 22.07891 
1 1 1   -8   16   73 o   39.163   11.027   9.6667   8.7811   6.3942   11.724   13.848   13.253   35.662   14.790   42.665   16.359 -7.003216 22.05326 
1 1 1   -8   16   74 o   42.312   10.492   11.467   8.9212   25.813   12.347  -4.2060   12.905   54.571   15.793   30.053   13.817 24.51765 20.98412 
1 1 1   -8   16   75 o   40.635   11.306   12.312   9.1116   12.144   12.351   12.512   13.497   40.262   15.695   41.007   16.278 -0.7448120 22.61236 
1 1 1   -8   16   76 o   56.046   11.510   27.164   9.9192   14.940   13.219   42.919   15.007   42.560   16.333   69.532   16.223 -26.97240 23.02081 
1 1 1   -8   16   77 o   58.324   11.768   32.142   10.027   38.119   13.704   25.256   14.709   65.448   15.661   51.200   17.570 14.24831 23.53630 
1 1 1   -8   16   78 o   36.483   10.533   5.7662   8.8041  -4.2017   11.671   18.927   13.411   27.856   12.925   45.109   16.634 -17.25324 21.06552 
1 1 1   -8   16   79 o   59.516   16.284   33.769   13.515   33.769   13.515   0.0000   0.0000   59.516   16.284  ?   ?       ?      ? 
1 1 1   -8   16   80 o   45.454   16.220   20.407   12.616   20.407   12.616   0.0000   0.0000   45.454   16.220  ?   ?       ?      ? 
1 1 1   -8   16   81 o   33.238   14.458   6.3130   12.161   6.3130   12.161   0.0000   0.0000   33.238   14.458  ?   ?       ?      ? 
1 1 1   -8   17    1 o   72.372   8.0341   35.915   7.4074   23.563   9.8523   51.977   11.235   57.473   12.959   87.271   9.4995 -29.79794 16.06815 
1 1 1   -8   17    2 o  133.340   5.4214  121.120   9.7666  122.218   13.339  119.851   14.339  134.017   7.3449  132.662   7.9761 1.355392 10.84276 
1 1 1   -8   17    3 o   99.274   6.3010   66.137   8.3590   52.352   11.142   83.883   12.642   87.594   9.3869  110.954   8.4080 -23.36036 12.60194 
1 1 1   -8   17    4 o  180.962   5.0301  222.530   12.308  219.236   16.799  226.347   18.083  179.539   6.9048  182.385   7.3165 -2.845917 10.06020 
1 1 1   -8   17    5 o   88.100   6.7227   53.635   7.9185   58.836   10.724   47.401   11.742   92.917   8.5172   83.283   10.404 9.634140 13.44542 
1 1 1   -8   17    6 o  133.877   7.0511  119.186   11.308  115.682   13.115  129.335   22.321  130.378   7.4231  137.375   11.990 -6.997025 14.10212 
1 1 1   -8   17    7 o   62.870   11.236   26.651   8.3469   25.455   9.4436   30.922   17.845   59.905   12.051   65.835   18.968 -5.929672 22.47214 
1 1 1   -8   17    8 o   37.201   10.819  -4.3088   7.5403  -9.0954   8.3994   15.564   17.115   22.625   10.648   51.778   18.837 -29.15323 21.63824 
1 1 1   -8   17    9 f  142.816   5.4375  138.786   10.486  138.040   14.224  139.674   15.520  142.423   7.3698  143.209   7.9970 -0.7856293 10.87499 
1 1 1   -8   17   10 o  237.607   5.1065  384.230   16.423  386.021   22.717  382.268   23.772  238.212   7.0372  237.002   7.4016 1.210602 10.21304 
1 1 1   -8   17   11 o  238.543   5.1789  386.455   16.721  371.953   22.967  402.812   24.391  233.801   7.2489  243.285   7.3984 -9.484192 10.35770 
1 1 1   -8   17   12 o  349.684   6.4123  840.141   26.543  846.715   30.860  821.453   52.035  352.905   6.4528  346.462   11.083 6.443024 12.82463 
1 1 1   -8   17   13 o  172.444   6.4381  213.698   14.057  241.094   17.765  167.819   22.989  188.260   6.9633  156.628   10.831 31.63182 12.87620 
1 1 1   -8   17   14 o  175.993   6.1955  218.085   13.913  234.352   17.394  189.190   23.182  185.611   6.9152  166.375   10.282 19.23572 12.39103 
1 1 1   -8   17   15 o  130.443   6.1333  116.966   9.5914  118.091   11.234  113.940   18.422  131.801   6.2898  129.084   10.531 2.717575 12.26669 
1 1 1   -8   17   16 o  179.590   5.5196  212.521   11.952  204.530   13.889  235.335   23.466  173.488   5.9076  185.692   9.3254 -12.20421 11.03916 
1 1 1   -8   17   17 f   89.740   6.9601   51.604   7.7574   47.047   9.1099   63.622   14.796   83.099   8.0897   96.381   11.328 -13.28169 13.92028 
1 1 1   -8   17   18 o  161.735   5.8365  181.428   11.263  185.113   13.194  171.530   21.625  165.044   5.8993  158.426   10.073 6.618240 11.67294 
1 1 1   -8   17   19 o  238.959   5.6878  390.835   16.157  392.797   18.812  385.319   31.544  240.428   5.7738  237.490   9.8013 2.938034 11.37553 
1 1 1   -8   17   20 o   92.519   7.0467   59.543   7.8875   60.893   9.3222   56.143   14.797   94.582   7.2732   90.455   12.072 4.126778 14.09337 
1 1 1   -8   17   21 o   58.901   9.2993   24.692   6.7957   25.343   8.0564   23.086   12.653   60.903   9.7616   56.898   15.831 4.004917 18.59864 
1 1 1   -8   17   22 o  176.908   5.6325  210.978   11.968  208.380   13.956  218.202   23.269  175.098   5.8815  178.717   9.6078 -3.619553 11.26502 
1 1 1   -8   17   23 o  162.721   6.1959  179.522   13.276  175.955   16.811  185.432   21.640  160.713   7.7191  164.729   9.6940 -4.015884 12.39181 
1 1 1   -8   17   24 o  102.943   7.2876   70.035   9.9831   59.382   12.745   86.953   16.060   93.178   10.093  112.709   10.515 -19.53062 14.57523 
1 1 1   -8   17   25 o   68.587   8.4701   30.779   7.1605   27.516   8.5166   38.649   13.226   63.433   9.9076   73.741   13.741 -10.30751 16.94019 
1 1 1   -8   17   26 o  174.011   5.6693  204.883   11.883  203.066   13.892  209.840   22.942  172.826   5.9315  175.197   9.6633 -2.370941 11.33853 
1 1 1   -8   17   27 o   62.633   9.3222   27.954   7.2165   28.623   8.6359   26.407   13.138   64.686   9.8517   60.580   15.829 4.106922 18.64437 
1 1 1   -8   17   28 o   75.678   7.8222   35.020   7.4587   28.501   8.7871   51.824   14.109   64.529   10.049   86.828   11.991 -22.29953 15.64444 
1 1 1   -8   17   29 o  174.089   5.7409  206.014   12.063  205.129   14.136  208.384   23.141  173.671   6.0064  174.506   9.7854 -0.8355408 11.48178 
1 1 1   -8   17   30 o  200.520   5.6826  271.498   13.646  268.342   15.889  280.370   26.639  198.638   5.9027  202.402   9.7122 -3.763916 11.36523 
1 1 1   -8   17   31 o   78.560   8.7520   42.170   9.3173   42.170   9.3173   0.0000   0.0000   78.560   8.7520  ?   ?       ?      ? 
1 1 1   -8   17   32 o   99.912   8.9067   68.249   12.059   68.249   12.059   0.0000   0.0000   99.912   8.9067  ?   ?       ?      ? 
1 1 1   -8   17   33 o   83.333   8.1588   46.674   8.9943   42.982   11.362   52.872   14.721   79.123   10.596   87.542   12.409 -8.419273 16.31751 
1 1 1   -8   17   34 o   79.511   8.3837   43.485   8.7958   43.173   11.214   43.984   14.179   79.294   10.436   79.729   13.124 -0.4352646 16.76745 
1 1 1   -8   17   35 o  145.437   6.3747  145.086   12.168  145.921   15.429  143.711   19.792  146.183   7.7887  144.692   10.094 1.490799 12.74947 
1 1 1   -8   17   36 o   89.102   8.0694   54.433   9.5779   53.125   12.388   56.376   15.102   87.910   10.399   90.295   12.342 -2.385071 16.13890 
1 1 1   -8   17   37 o  155.633   5.9713  168.908   11.377  173.380   13.564  158.296   20.895  159.521   6.2748  151.744   10.161 7.776810 11.94253 
1 1 1   -8   17   38 o   73.852   8.3681   33.928   7.7383   24.458   9.3100   55.091   13.918   58.408   12.158   89.296   11.501 -30.88881 16.73611 
1 1 1   -8   17   39 o   49.752   10.207   18.147   7.2299   20.391   8.9270   13.870   12.326   53.169   12.585   46.335   16.073 6.834599 20.41365 
1 1 1   -8   17   40 o  106.323   6.5172   75.090   8.7496   70.885   10.475   84.797   15.914  101.799   7.5932  110.847   10.594 -9.048416 13.03447 
1 1 1   -8   17   41 o   37.545   10.004   6.3896   6.7650   3.4728   8.4191   11.704   11.365   31.761   12.772   43.330   15.401 -11.56925 20.00809 
1 1 1   -8   17   42 o   76.666   8.3952   41.936   7.9273   42.920   9.7161   39.978   13.710   78.991   9.0768   74.341   14.126 4.650093 16.79046 
1 1 1   -8   17   43 o   48.463   11.147   16.348   8.4007   17.420   11.473   15.109   12.335   49.534   15.432   47.393   16.091 2.140938 22.29494 
1 1 1   -8   17   44 o   90.119   7.3687   54.114   8.5893   49.506   10.488   63.500   14.968   84.747   9.1325   95.491   11.567 -10.74387 14.73738 
1 1 1   -8   17   45 o   71.604   8.5127   32.927   7.7211   23.583   9.4361   51.859   13.431   56.969   12.561   86.238   11.493 -29.26891 17.02541 
1 1 1   -8   17   46 o   84.298   7.8788   50.966   8.3104   53.620   10.156   45.589   14.456   88.214   8.4961   80.382   13.271 7.832001 15.75767 
1 1 1   -8   17   47 o   75.576   8.0615   37.092   7.7440   27.824   9.5055   55.384   13.354   62.094   11.726   89.057   11.065 -26.96284 16.12290 
1 1 1   -8   17   48 o   72.887   8.2809   37.186   7.6935   35.536   9.5969   40.154   12.870   71.490   9.9061   74.284   13.273 -2.793571 16.56178 
1 1 1   -8   17   49 o  107.552   7.5088   79.636   10.944   79.636   10.944   0.0000   0.0000  107.552   7.5088  ?   ?       ?      ? 
1 1 1   -8   17   50 o  138.962   6.6969  132.627   12.611  132.627   12.611   0.0000   0.0000  138.962   6.6969  ?   ?       ?      ? 
1 1 1   -8   17   51 o   43.033   10.082   13.232   6.8910   15.608   8.5237   8.7503   11.708   46.064   13.057   40.002   15.367 6.061836 20.16474 
1 1 1   -8   17   52 o   44.447   10.210   12.875   6.8288   9.4887   8.4194   19.386   11.675   37.930   13.277   50.964   15.514 -13.03388 20.41936 
1 1 1   -8   17   53 o   88.379   6.9467   49.367   7.8924   36.967   9.5430   76.207   14.040   72.605   9.6993  104.154   9.9473 -31.54936 13.89333 
1 1 1   -8   17   54 o   97.539   7.1523   66.625   9.2889   64.664   11.996   69.560   14.679   96.084   9.2132   98.994   10.942 -2.910049 14.30451 
1 1 1   -8   17   55 o  109.967   5.6796   84.516   8.4193   80.014   12.338   88.440   11.517  107.037   8.5064  112.897   7.5282 -5.860397 11.35922 
1 1 1   -8   17   56 o   46.005   10.200   15.270   7.1700   11.018   9.6029   20.627   10.778   40.152   14.170   51.857   14.676 -11.70527 20.40031 
1 1 1   -8   17   57 o   39.826   10.091   10.707   6.9449   12.226   9.6451   9.0713   10.008   41.444   14.227   38.207   14.314 3.237545 20.18159 
1 1 1   -8   17   58 o   30.445   9.5520  -1.3468   7.6388  -4.8921   13.012   0.5178   9.4361   31.135   14.146   29.756   12.839 1.378464 19.10397 
1 1 1   -8   17   59 o   62.819   14.193   30.634   11.797   0.0000   0.0000   30.634   11.797  ?   ?    62.819   14.193      ?      ? 
1 1 1   -8   17   60 o   36.757   10.241   7.2883   6.5907   7.9464   13.921   7.0982   7.4825   39.932   16.290   33.581   12.417 6.350498 20.48274 
1 1 1   -8   17   61 o   60.658   9.6990   34.193   7.6075   13.948   15.102   41.078   8.8065   45.134   17.422   76.182   8.5304 -31.04856 19.39807 
1 1 1   -8   17   62 o   64.613   9.9959   30.872   7.6116   35.861   15.518   29.292   8.7345   65.537   17.241   63.689   10.120 1.848236 19.99178 
1 1 1   -8   17   63 o   52.498   8.6377   26.219   7.4805  -4.4530   14.407   37.540   8.7530   32.467   14.803   72.529   8.9055 -40.06207 17.27542 
1 1 1   -8   17   64 o   51.585   16.618   21.982   13.206   0.0000   0.0000   21.982   13.206  ?   ?    51.585   16.618      ?      ? 
1 1 1   -8   17   65 o   67.812   16.203   38.207   14.686   0.0000   0.0000   38.207   14.686  ?   ?    67.812   16.203      ?      ? 
1 1 1   -8   17   66 o   49.434   12.040   20.268   9.7478   20.057   14.623   20.437   13.077   49.245   17.474   49.624   16.569 -0.3790970 24.08054 
1 1 1   -8   17   67 o   40.965   11.132   11.791   8.7104   10.549   12.561   12.941   12.089   40.017   15.761   41.912   15.726 -1.895504 22.26467 
1 1 1   -8   17   68 o   47.548   11.663   18.684   9.2288   21.322   13.106   16.090   12.998   50.132   16.581   44.964   16.407 5.168182 23.32615 
1 1 1   -8   17   69 o   57.824   10.518   27.175   9.5020   9.4434   13.074   47.025   13.834   39.066   15.844   76.582   13.839 -37.51609 21.03658 
1 1 1   -8   17   70 o   46.613   11.595   18.204   9.2499   22.453   12.974   13.810   13.192   50.769   16.483   42.457   16.311 8.311565 23.18915 
1 1 1   -8   17   71 f   63.102   11.571   35.018   10.037   30.377   14.007   39.917   14.390   58.217   16.814   67.988   15.902 -9.771664 23.14245 
1 1 1   -8   17   72 f   46.555   11.764   18.780   9.4718   14.847   13.054   23.153   13.764   42.677   16.266   50.433   16.998 -7.755436 23.52714 
1 1 1   -8   17   73 o   47.483   11.855   20.456   9.5201   18.568   13.227   22.485   13.713   45.661   16.568   49.305   16.962 -3.644291 23.71055 
1 1 1   -8   17   74 o   37.173   10.270   4.3709   8.7442 -10.2356   11.771   22.358   13.062   25.436   12.153   48.910   16.559 -23.47338 20.53979 
1 1 1   -8   17   75 o   49.912   11.578   23.831   9.3042   29.087   12.914   18.158   13.417   55.579   16.171   44.244   16.574 11.33462 23.15586 
1 1 1   -8   17   76 o   25.375   12.020  -7.3049   11.027  -7.3049   11.027   0.0000   0.0000   25.375   12.020  ?   ?       ?      ? 
1 1 1   -8   17   77 o   31.328   13.960   2.8764   11.993   2.8764   11.993   0.0000   0.0000   31.328   13.960  ?   ?       ?      ? 
1 1 1   -8   17   78 o   41.379   15.696   16.814   12.118   16.814   12.118   0.0000   0.0000   41.379   15.696  ?   ?       ?      ? 
1 1 1   -8   18    1 o  176.620   6.9779  222.744   14.580  233.882   17.151  193.711   27.689  185.368   6.8275  167.872   12.172 17.49606 13.95579 
1 1 1   -8   18    2 o   60.787   9.3501   26.201   7.3742   25.302   9.5373   27.538   11.628   59.623   12.215   61.952   14.160 -2.329174 18.70014 
1 1 1   -8   18    3 o  168.555   5.1835  193.911   11.756  197.064   15.787  189.988   17.612  170.152   6.8466  166.959   7.7844 3.193710 10.36690 
1 1 1   -8   18    4 o   86.159   6.8823   50.526   7.9637   49.072   10.514   52.483   12.198   84.757   9.1538   87.561   10.280 -2.804306 13.76466 
1 1 1   -8   18    5 o  173.866   5.1304  206.604   12.006  212.910   16.217  198.954   17.861  176.871   6.7660  170.862   7.7140 6.008850 10.26081 
1 1 1   -8   18    6 o   68.497   8.6638   34.584   7.5403   42.210   9.9927   24.500   11.491   78.592   9.3826   58.403   14.568 20.18863 17.32769 
1 1 1   -8   18    7 o  181.987   5.1578  224.910   12.660  219.087   17.003  232.157   18.967  179.389   6.9942  184.585   7.5825 -5.196747 10.31565 
1 1 1   -8   18    8 o  157.112   5.2884  167.568   11.207  162.269   15.043  174.180   16.802  154.362   7.1912  159.862   7.7561 -5.499466 10.57689 
1 1 1   -8   18    9 o  211.599   5.0900  305.936   14.540  320.405   20.031  289.821   21.139  216.961   6.8132  206.237   7.5638 10.72383 10.17990 
1 1 1   -8   18   10 o   45.285   9.9992   14.213   6.9757   17.700   9.1398   9.3481   10.796   49.809   13.293   40.761   14.941 9.048149 19.99836 
1 1 1   -8   18   11 o  207.318   5.1230  293.593   14.342  305.543   19.737  280.223   20.877  211.854   6.8747  202.781   7.5973 9.072906 10.24602 
1 1 1   -8   18   12 o  150.059   5.8778  150.824   10.459  147.913   12.090  159.482   20.849  147.478   6.0497  152.641   10.079 -5.162582 11.75556 
1 1 1   -8   18   13 o   98.195   6.9137   62.688   8.0813   59.379   9.2952   72.930   16.355   93.358   7.3472  103.032   11.714 -9.673492 13.82736 
1 1 1   -8   18   14 o  127.924   6.1332  107.645   9.2169  103.758   10.564  120.040   18.864  123.495   6.3122  132.353   10.518 -8.858566 12.26634 
1 1 1   -8   18   15 o  116.127   6.4291   90.538   8.8476   88.861   10.227   95.527   17.640  114.261   6.6050  117.994   11.032 -3.732727 12.85813 
1 1 1   -8   18   16 o  156.454   5.8248  163.046   10.748  159.085   12.375  175.209   21.684  152.941   5.9710  159.966   10.003 -7.024155 11.64965 
1 1 1   -8   18   17 o  151.761   6.0784  159.530   10.942  162.033   12.764  152.587   21.256  154.335   6.1028  149.188   10.514 5.147003 12.15671 
1 1 1   -8   18   18 o  153.852   6.4020  159.817   12.889  154.415   16.121  169.391   21.461  150.453   7.9068  157.250   10.071 -6.797256 12.80404 
1 1 1   -8   18   19 o  104.541   7.4611   70.594   10.246   53.279   12.890  100.319   16.889   88.110   10.795  120.972   10.302 -32.86263 14.92216 
1 1 1   -8   18   20 o  167.593   5.7721  187.008   11.578  181.869   13.428  201.902   22.860  163.496   6.0607  171.691   9.8253 -8.194611 11.54419 
1 1 1   -8   18   21 o  248.529   5.7472  402.302   16.727  384.476   19.109  460.751   34.600  237.729   5.9315  259.329   9.8457 -21.60030 11.49434 
1 1 1   -8   18   22 o  124.006   6.1275   98.319   9.2110   90.776   10.660  120.550   18.300  115.432   6.8146  132.579   10.186 -17.14695 12.25498 
1 1 1   -8   18   23 o  103.593   6.8789   74.389   8.5584   75.414   10.049   71.683   16.330  105.185   7.0500  102.002   11.814 3.182358 13.75784 
1 1 1   -8   18   24 o   66.511   9.3466   34.542   7.3896   39.035   8.7859   23.678   13.661   75.558   8.5807   57.464   16.607 18.09374 18.69313 
1 1 1   -8   18   25 o  125.600   6.1936  109.160   9.3954  110.703   11.068  105.182   17.773  127.489   6.4065  123.711   10.602 3.777641 12.38718 
1 1 1   -8   18   26 o   64.542   9.6599   28.571   8.4488   28.571   8.4488   0.0000   0.0000   64.542   9.6599  ?   ?       ?      ? 
1 1 1   -8   18   27 o   33.065   12.536   5.4833   7.7276   5.4833   7.7276   0.0000   0.0000   33.065   12.536  ?   ?       ?      ? 
1 1 1   -8   18   28 o   94.853   7.2908   63.755   8.2227   66.003   9.6605   57.844   15.666   98.334   7.2495   91.372   12.652 6.961952 14.58167 
1 1 1   -8   18   29 o   93.927   6.7565   56.139   7.9096   50.083   9.2891   72.108   15.084   85.574   8.0103  102.280   10.883 -16.70595 13.51293 
1 1 1   -8   18   30 o   69.529   8.8834   36.086   7.3256   38.914   8.7753   29.585   13.306   75.362   8.5926   63.696   15.551 11.66681 17.76670 
1 1 1   -8   18   31 o   80.658   8.4225   47.534   7.8423   49.837   9.2702   41.738   14.707   85.331   8.0168   75.985   14.815 9.345779 16.84493 
1 1 1   -8   18   32 o   81.896   8.6634   50.951   8.0959   55.867   9.6521   39.283   14.869   90.342   7.8840   73.451   15.429 16.89169 17.32675 
1 1 1   -8   18   33 o   82.447   7.5480   45.500   7.7845   43.300   9.2627   50.790   14.364   79.437   8.6046   85.457   12.404 -6.020172 15.09600 
1 1 1   -8   18   34 o  107.873   6.7952   82.146   8.9166   84.925   10.613   75.477   16.440  111.462   7.0266  104.284   11.633 7.177773 13.59046 
1 1 1   -8   18   35 o   97.317   6.9012   63.221   8.4507   59.898   10.095   71.005   15.449   93.466   7.9700  101.169   11.269 -7.702736 13.80239 
1 1 1   -8   18   36 o   47.795   10.774   14.461   7.4303   11.393   8.9230   21.401   13.419   41.144   13.685   54.445   16.645 -13.30025 21.54838 
1 1 1   -8   18   37 f  138.861   6.3871  138.539   10.768  146.859   12.902  119.442   19.548  146.583   6.4950  131.138   11.000 15.44527 12.77423 
1 1 1   -8   18   38 o  105.256   6.6252   71.248   8.9071   61.959   10.667   92.641   16.189   94.918   8.2928  115.594   10.335 -20.67552 13.25047 
1 1 1   -8   18   39 o  144.906   6.6665  144.872   12.796  143.758   16.428  146.592   20.406  144.499   8.3896  145.312   10.363 -0.8126984 13.33292 
1 1 1   -8   18   40 o  177.134   5.8277  209.332   12.781  200.021   15.099  232.864   24.004  170.939   6.5182  183.328   9.6623 -12.38860 11.65535 
1 1 1   -8   18   41 o  101.394   7.3787   75.582   9.0636   81.780   10.931   61.944   16.215  109.104   7.3931   93.685   12.772 15.41897 14.75749 
1 1 1   -8   18   42 o   80.814   7.6741   43.128   7.9581   38.332   9.5981   53.676   14.235   74.310   9.5314   87.317   12.030 -13.00684 15.34829 
1 1 1   -8   18   43 o  134.485   6.2447  127.603   10.360  131.209   12.432  119.410   18.739  138.291   6.6338  130.680   10.582 7.611069 12.48939 
1 1 1   -8   18   44 f  127.591   6.4443  116.221   10.062  120.945   12.054  105.366   18.271  132.705   6.7028  122.478   11.009 10.22737 12.88867 
1 1 1   -8   18   45 o   57.032   11.819   23.785   8.8345   23.785   8.8345   0.0000   0.0000   57.032   11.819  ?   ?       ?      ? 
1 1 1   -8   18   46 o   55.405   11.847   22.534   8.6257   22.534   8.6257   0.0000   0.0000   55.405   11.847  ?   ?       ?      ? 
1 1 1   -8   18   47 o   61.382   9.4578   26.500   7.2120   23.637   8.6657   32.951   13.009   56.762   11.656   66.003   14.898 -9.240307 18.91562 
1 1 1   -8   18   48 o   54.117   9.8254   21.960   6.9203   22.013   8.3818   21.846   12.266   54.658   11.671   53.575   15.809 1.082245 19.65081 
1 1 1   -8   18   49 o   37.218   9.8045   7.0517   6.4542   3.8097   7.9799   13.184   10.975   30.918   12.434   43.519   15.163 -12.60103 19.60898 
1 1 1   -8   18   50 o   68.895   8.4027   31.933   7.3748   25.996   8.9683   44.331   12.960   59.379   11.561   78.412   12.197 -19.03294 16.80544 
1 1 1   -8   18   51 o   55.419   9.9497   24.760   7.8416   32.156   10.213   14.139   12.239   65.972   11.860   44.867   15.979 21.10490 19.89950 
1 1 1   -8   18   52 o   40.689   9.9652   10.968   7.2776   17.479   9.7240   2.6773   10.973   47.894   14.060   33.484   14.125 14.40992 19.93043 
1 1 1   -8   18   53 o   52.495   9.9883   20.910   7.1027   19.545   9.0056   23.158   11.553   50.600   13.049   54.390   15.126 -3.790661 19.97653 
1 1 1   -8   18   54 o   66.534   10.859   35.858   9.5583   29.344   14.916   40.397   12.450   59.992   17.358   73.075   13.051 -13.08328 21.71734 
1 1 1   -8   18   55 o   40.540   10.471   10.780   7.7146   15.622   10.899   5.9183   10.921   45.357   15.126   35.723   14.483 9.633644 20.94173 
1 1 1   -8   18   56 o   47.213   10.704   17.385   7.7607   18.122   10.703   16.567   11.270   48.091   14.892   46.335   15.378 1.756065 21.40712 
1 1 1   -8   18   57 o   33.225   9.3572   2.2667   7.2208   12.328   9.9402  -8.9751   10.507   41.102   14.424   25.349   11.924 15.75291 18.71431 
1 1 1   -8   18   58 o   40.603   10.045   11.103   7.3885   18.484   10.256   3.1403   10.653   48.305   14.504   32.901   13.901 15.40421 20.09012 
1 1 1   -8   18   59 o   46.974   11.483   17.524   8.9509   14.398   14.029   19.671   11.624   44.571   16.893   49.376   15.558 -4.805347 22.96549 
1 1 1   -8   18   60 o   55.273   16.433   25.508   13.213   0.0000   0.0000   25.508   13.213  ?   ?    55.273   16.433      ?      ? 
1 1 1   -8   18   61 o   90.372   12.711   61.915   15.567   0.0000   0.0000   61.915   15.567  ?   ?    90.372   12.711      ?      ? 
1 1 1   -8   18   62 o   47.709   11.505   18.460   9.3701   10.807   13.989   24.688   12.620   41.164   16.495   54.254   16.043 -13.08934 23.01036 
1 1 1   -8   18   63 o   27.528   8.9799  -7.5684   8.1088 -16.1225   11.699   0.3411   11.250   23.877   11.583   31.180   13.725 -7.303278 17.95984 
1 1 1   -8   18   64 o   51.037   11.878   22.302   9.5681   19.863   13.730   24.605   13.341   48.594   16.958   53.479   16.638 -4.884617 23.75661 
1 1 1   -8   18   65 o   54.767   11.321   25.133   9.7150   12.858   13.495   38.337   13.997   42.022   16.400   67.513   15.610 -25.49116 22.64126 
1 1 1   -8   18   66 o   87.005   9.7770   60.440   11.250   55.178   15.690   66.007   16.139   82.027   14.653   91.983   12.948 -9.955490 19.55404 
1 1 1   -8   18   67 o   31.033   9.6751  -1.1668   8.3893   6.8667   11.529 -10.2067   12.230   35.579   14.704   26.487   12.579 9.092108 19.35014 
1 1 1   -8   18   68 o   53.026   9.9614   21.072   9.6248   46.702   13.782  -3.3260   13.447   75.244   14.033   30.808   14.142 44.43631 19.92280 
1 1 1   -8   18   69 o   47.121   11.524   18.975   9.3733   10.971   12.828   28.145   13.730   39.070   15.746   55.171   16.831 -16.10051 23.04829 
1 1 1   -8   18   70 o   46.688   11.701   19.993   9.2708   19.472   13.030   20.526   13.193   46.198   16.484   47.178   16.613 -0.9791718 23.40294 
1 1 1   -8   18   71 o   49.331   10.813   21.612   9.1606   35.222   12.862   7.6015   13.050   62.682   15.281   35.981   15.302 26.70092 21.62537 
1 1 1   -8   18   72 o   40.830   11.351   14.326   9.2528   10.945   12.734   18.109   13.468   37.841   15.525   43.819   16.565 -5.978363 22.70275 
1 1 1   -8   18   73 o   49.083   16.576   24.171   13.089   24.171   13.089   0.0000   0.0000   49.083   16.576  ?   ?       ?      ? 
1 1 1   -8   18   74 o   39.657   15.624   14.560   12.347   14.560   12.347   0.0000   0.0000   39.657   15.624  ?   ?       ?      ? 
1 1 1   -8   18   75 o   39.388   15.595   14.971   12.358   14.971   12.358   0.0000   0.0000   39.388   15.595  ?   ?       ?      ? 
1 1 1   -8   19    1 o  140.691   5.6244  134.973   10.651  132.681   14.204  137.916   16.098  139.395   7.5195  141.988   8.3663 -2.593262 11.24885 
1 1 1   -8   19    2 o  153.841   5.4821  162.477   11.330  168.621   15.237  154.877   16.946  157.204   7.1526  150.478   8.3100 6.725555 10.96424 
1 1 1   -8   19    3 o   91.325   7.0676   57.575   8.6593   59.626   11.588   54.980   13.031   93.274   9.1677   89.375   10.759 3.899300 14.13515 
1 1 1   -8   19    4 o  103.938   10.137   72.966   13.560   53.519   17.460  102.525   21.527   86.276   15.504  121.601   13.063 -35.32456 20.27369 
1 1 1   -8   19    5 o   84.768   10.095   51.272   9.4461   51.610   10.781   50.156   19.599   86.778   9.1677   82.757   17.990 4.020576 20.19090 
1 1 1   -8   19    6 o  153.578   5.3612  159.722   11.067  151.146   14.597  171.320   16.975  148.823   7.2376  158.334   7.9113 -9.511032 10.72248 
1 1 1   -8   19    7 o  137.934   5.5455  130.582   10.275  134.902   13.789  125.188   15.406  140.596   7.2374  135.272   8.4043 5.324921 11.09107 
1 1 1   -8   19    8 o  103.826   6.2512   73.543   8.7283   71.602   11.582   76.094   13.279  102.306   8.3540  105.346   9.3015 -3.039658 12.50231 
1 1 1   -8   19    9 o   78.658   7.4360   41.789   7.8534   36.150   10.331   49.509   12.087   72.487   10.517   84.830   10.515 -12.34310 14.87191 
1 1 1   -8   19   10 o  223.657   5.1647  342.731   15.594  363.507   21.600  320.115   22.536  230.851   6.9046  216.464   7.6827 14.38756 10.32943 
1 1 1   -8   19   11 o  135.678   7.3164  128.387   12.763  120.784   21.432  132.565   15.887  132.180   11.965  139.176   8.4235 -6.996582 14.63279 
1 1 1   -8   19   12 o   76.271   9.8636   44.243   9.2447   50.839   11.534   32.393   15.460   86.019   9.8947   66.523   17.066 19.49606 19.72715 
1 1 1   -8   19   13 o  104.281   7.8017   76.162   10.475   79.052   13.081   70.998   17.486  107.386   8.9891  101.175   12.754 6.210373 15.60334 
1 1 1   -8   19   14 o  245.490   6.0236  421.164   17.338  430.098   20.137  395.559   34.092  251.299   5.9132  239.680   10.496 11.61885 12.04723 
1 1 1   -8   19   15 o  183.956   5.7944  223.343   12.525  215.467   14.361  248.372   25.600  177.854   5.9587  190.059   9.9396 -12.20490 11.58889 
1 1 1   -8   19   16 o  114.346   6.4945   80.874   8.8061   72.625   10.025  108.739   18.426  103.127   7.1736  125.566   10.828 -22.43931 12.98901 
1 1 1   -8   19   17 o  161.344   5.8868  173.380   11.226  168.468   12.930  188.414   22.621  157.234   6.0685  165.454   10.089 -8.220505 11.77357 
1 1 1   -8   19   18 o  162.928   5.9734  179.451   11.428  177.031   13.166  186.849   23.019  161.177   6.0278  164.680   10.315 -3.503296 11.94685 
1 1 1   -8   19   19 o  100.835   6.9283   65.972   8.4281   61.614   9.7461   78.894   16.783   94.920   7.5769  106.750   11.602 -11.83052 13.85661 
1 1 1   -8   19   20 o  140.907   6.0846  131.549   10.210  126.736   11.786  146.014   20.433  136.305   6.3809  145.509   10.362 -9.203918 12.16920 
1 1 1   -8   19   21 o   92.103   7.5886   58.040   9.4715   58.040   9.4715   0.0000   0.0000   92.103   7.5886  ?   ?       ?      ? 
1 1 1   -8   19   22 o   54.028   11.453   20.959   8.1249   20.959   8.1249   0.0000   0.0000   54.028   11.453  ?   ?       ?      ? 
1 1 1   -8   19   23 o   57.062   10.100   20.492   7.1883   15.952   8.3928   32.991   13.926   47.057   12.815   67.066   15.615 -20.00892 20.20009 
1 1 1   -8   19   24 o  141.268   5.9872  127.582   10.064  118.315   11.533  157.181   20.611  131.636   6.4649  150.900   10.079 -19.26411 11.97437 
1 1 1   -8   19   25 o   85.832   7.3556   43.936   7.7776   35.317   8.9933   69.511   15.491   71.613   9.2671  100.051   11.426 -28.43803 14.71129 
1 1 1   -8   19   26 o   94.831   7.0995   59.962   8.2224   57.269   9.6233   67.245   15.826   91.395   7.7700   98.267   11.884 -6.872009 14.19900 
1 1 1   -8   19   27 o   68.420   8.8304   29.492   7.5126   23.653   8.8640   44.382   14.155   57.290   11.810   79.550   13.131 -22.26064 17.66072 
1 1 1   -8   19   28 o   97.631   7.5016   71.413   8.6774   78.945   10.410   54.266   15.708  107.364   7.1551   87.898   13.187 19.46574 15.00314 
1 1 1   -8   19   29 o   75.745   8.0338   36.464   7.7040   30.860   9.1299   50.321   14.356   66.748   10.094   84.743   12.501 -17.99532 16.06760 
1 1 1   -8   19   30 o   70.161   8.7647   34.742   7.4074   34.236   8.8090   35.964   13.687   70.405   9.2330   69.918   14.901 0.4864044 17.52948 
1 1 1   -8   19   31 o  104.863   6.7227   76.273   8.6079   76.515   10.188   75.669   16.091  105.636   7.1171  104.090   11.407 1.546196 13.44549 
1 1 1   -8   19   32 o   99.979   6.8617   68.208   8.4237   66.747   9.9479   71.911   15.836   98.582   7.4465  101.376   11.527 -2.793854 13.72341 
1 1 1   -8   19   33 o  133.396   6.1790  123.260   9.9299  123.667   11.654  122.182   18.969  134.394   6.3992  132.399   10.572 1.995377 12.35806 
1 1 1   -8   19   34 o  102.641   7.3317   71.542   10.011   64.070   12.765   83.481   16.136   96.009   9.8116  109.272   10.897 -13.26261 14.66345 
1 1 1   -8   19   35 o   90.460   7.8681   56.352   9.5552   49.746   12.525   65.549   14.779   84.274   10.967   96.646   11.285 -12.37202 15.73614 
1 1 1   -8   19   36 o   83.863   7.5161   48.304   7.9133   46.794   9.4845   51.761   14.355   82.233   8.5111   85.494   12.391 -3.261864 15.03217 
1 1 1   -8   19   37 o  102.103   6.5384   68.074   8.4000   61.353   9.9578   84.660   15.642   94.278   7.7941  109.927   10.500 -15.64882 13.07683 
1 1 1   -8   19   38 o   80.719   7.6030   45.954   7.6820   46.234   9.2731   45.342   13.715   81.683   8.3774   79.754   12.690 1.928772 15.20590 
1 1 1   -8   19   39 o   67.882   8.6537   32.906   7.2408   32.161   8.7506   34.525   12.895   67.860   9.5157   67.905   14.457 -0.4490662E-01 17.30747 
1 1 1   -8   19   40 o   80.729   8.9057   54.323   7.9595   64.246   9.5957   32.435   14.251   96.452   7.3414   65.005   16.228 31.44675 17.81131 
1 1 1   -8   19   41 o   23.094   10.590  -4.7556   7.5152  -4.7556   7.5152   0.0000   0.0000   23.094   10.590  ?   ?       ?      ? 
1 1 1   -8   19   42 o   78.347   8.3390   42.732   8.8536   42.732   8.8536   0.0000   0.0000   78.347   8.3390  ?   ?       ?      ? 
1 1 1   -8   19   43 o   39.403   10.330   9.6611   7.2160   9.7235   9.2309   9.5630   11.571   38.578   13.862   40.228   15.319 -1.649933 20.65981 
1 1 1   -8   19   44 o   42.564   10.340   12.502   7.1050   10.937   9.1909   14.826   11.201   39.879   13.877   45.250   15.333 -5.371479 20.68020 
1 1 1   -8   19   45 o   52.091   9.1804   21.600   7.6333   33.236   9.8476   4.0853   12.082   68.280   10.643   35.901   14.962 32.37925 18.36082 
1 1 1   -8   19   46 o   31.861   9.4850   2.3769   6.9664   4.5854   8.8779  -1.1623   11.238   32.610   13.115   31.113   13.706 1.497496 18.96994 
1 1 1   -8   19   47 o   80.913   7.6208   43.276   7.7795   37.483   9.2091   57.711   14.537   72.776   9.3379   89.051   12.046 -16.27515 15.24169 
1 1 1   -8   19   48 o   48.025   10.147   18.158   7.0404   19.934   8.6102   14.576   12.230   51.188   12.517   44.863   15.973 6.325237 20.29339 
1 1 1   -8   19   49 o   81.556   9.8118   50.644   10.528   44.563   14.923   56.670   14.855   75.432   15.125   87.679   12.502 -12.24672 19.62369 
1 1 1   -8   19   50 o   41.259   10.307   10.697   6.7769   7.6581   8.1249   17.645   12.285   34.788   12.924   47.730   16.059 -12.94142 20.61369 
1 1 1   -8   19   51 o   48.368   10.528   18.506   7.9117   23.947   10.678   11.883   11.781   55.120   14.206   41.616   15.542 13.50398 21.05629 
1 1 1   -8   19   52 o   49.775   10.632   19.805   7.8134   21.609   10.623   17.680   11.532   52.143   14.505   47.407   15.547 4.736279 21.26322 
1 1 1   -8   19   53 o   52.381   10.222   22.263   7.7167   27.418   10.439   16.052   11.459   59.272   13.320   45.490   15.509 13.78152 20.44381 
1 1 1   -8   19   54 o   59.194   10.050   28.064   7.9459   29.540   10.686   26.238   11.883   61.536   13.210   56.851   15.150 4.684608 20.10054 
1 1 1   -8   19   55 o   43.405   11.240   10.397   8.6437   24.881   14.982   3.1715   10.582   54.132   17.720   32.678   13.833 21.45448 22.47985 
1 1 1   -8   19   56 o   56.444   11.756   26.914   9.4489   26.119   15.650   27.371   11.853   54.986   18.115   57.902   14.989 -2.916149 23.51270 
1 1 1   -8   19   57 o   64.484   18.199   36.607   16.597   36.607   16.597   0.0000   0.0000   64.484   18.199  ?   ?       ?      ? 
1 1 1   -8   19   58 o   28.495   12.572  -0.4229   9.4891  -0.4229   9.4891   0.0000   0.0000   28.495   12.572  ?   ?       ?      ? 
1 1 1   -8   19   59 o   56.221   13.982   25.629   10.608   25.629   10.608   0.0000   0.0000   56.221   13.982  ?   ?       ?      ? 
1 1 1   -8   19   60 o   32.433   13.373   4.7588   9.5073   4.7588   9.5073   0.0000   0.0000   32.433   13.373  ?   ?       ?      ? 
1 1 1   -8   19   61 o   78.144   10.600   45.472   11.225   45.472   11.225   0.0000   0.0000   78.144   10.600  ?   ?       ?      ? 
1 1 1   -8   19   62 f   46.509   14.382   17.983   9.9861   17.983   9.9861   0.0000   0.0000   46.509   14.382  ?   ?       ?      ? 
1 1 1   -8   19   63 o   47.838   14.328   19.253   10.017   19.253   10.017   0.0000   0.0000   47.838   14.328  ?   ?       ?      ? 
1 1 1   -8   19   64 o   43.184   14.295   15.581   9.7414   15.581   9.7414   0.0000   0.0000   43.184   14.295  ?   ?       ?      ? 
1 1 1   -8   19   65 o   29.950   12.830   2.8610   9.2947   2.8610   9.2947   0.0000   0.0000   29.950   12.830  ?   ?       ?      ? 
1 1 1   -8   19   66 o   33.975   14.694   4.8340   12.418   4.8340   12.418   0.0000   0.0000   33.975   14.694  ?   ?       ?      ? 
1 1 1   -8   19   67 o   47.408   11.546   21.202   9.1322   24.746   12.626   17.315   13.224   51.201   16.224   43.615   16.432 7.585640 23.09110 
1 1 1   -8   19   68 o   39.209   11.058   12.615   8.8646   10.268   12.199   15.241   12.904   37.091   15.204   41.326   16.062 -4.234383 22.11623 
1 1 1   -8   19   69 o   35.133   10.081   4.9467   8.6039   19.113   12.223  -8.9642   12.113   44.466   15.955   25.800   12.327 18.66688 20.16202 
1 1 1   -8   19   70 o   28.888   13.200  -0.4141   11.534  -0.4141   11.534   0.0000   0.0000   28.888   13.200  ?   ?       ?      ? 
1 1 1   -8   19   71 o   29.373   13.422   0.4736   11.925   0.4736   11.925   0.0000   0.0000   29.373   13.422  ?   ?       ?      ? 
1 1 1   -8   20    1 o  100.900   6.5951   69.835   8.9913   63.998   12.198   76.780   13.305   96.306   9.3466  105.494   9.3071 -9.187759 13.19018 
1 1 1   -8   20    2 o   96.868   7.6508   64.170   9.9681   74.757   15.200   56.182   13.204  103.776   10.809   89.959   10.831 13.81636 15.30152 
1 1 1   -8   20    3 o  137.502   6.5910  125.715   12.045  157.077   19.475  106.285   15.329  150.833   9.5278  124.172   9.1096 26.66075 13.18197 
1 1 1   -8   20    4 o  108.351   9.5535   81.063   14.027   0.0000   0.0000   81.063   14.027  ?   ?   108.351   9.5535      ?      ? 
1 1 1   -8   20    5 o  144.004   8.4330  142.598   16.457   0.0000   0.0000  142.598   16.457  ?   ?   144.004   8.4330      ?      ? 
1 1 1   -8   20    6 o  106.026   9.6448   77.654   13.858   0.0000   0.0000   77.654   13.858  ?   ?   106.026   9.6448      ?      ? 
1 1 1   -8   20    7 o   76.220   9.8127   43.624   9.5708   30.273   14.305   54.445   12.878   63.865   16.433   88.574   10.729 -24.70853 19.62533 
1 1 1   -8   20    8 o  100.294   7.6935   70.603   10.305   64.495   15.526   75.412   13.776   96.130   11.918  104.457   9.7323 -8.326691 15.38705 
1 1 1   -8   20    9 o  101.964   7.9433   74.804   10.580   57.382   15.830   88.869   14.224   90.433   12.917  113.496   9.2481 -23.06281 15.88654 
1 1 1   -8   20   10 o   53.691   11.889   21.467   10.117   9.1297   17.363   27.808   12.449   45.967   18.392   61.415   15.070 -15.44835 23.77803 
1 1 1   -8   20   11 o  206.798   10.858  297.173   30.428  297.173   30.428   0.0000   0.0000  206.798   10.858  ?   ?       ?      ? 
1 1 1   -8   20   12 o   31.763   9.7289  -2.6265   6.4881  -5.1610   7.3305   6.5386   13.940   22.679   10.422   40.846   16.431 -18.16720 19.45782 
1 1 1   -8   20   13 o   33.960   9.8187   3.7539   6.2508   3.7054   7.1179   3.9173   13.068   30.013   11.850   37.906   15.659 -7.892416 19.63739 
1 1 1   -8   20   14 o   42.738   9.2186   14.083   6.6044   19.783   7.5183  -5.1767   13.821   52.411   10.939   33.065   14.841 19.34670 18.43719 
1 1 1   -8   20   15 o  142.558   6.0781  138.864   11.742  138.864   11.742   0.0000   0.0000  142.558   6.0781  ?   ?       ?      ? 
1 1 1   -8   20   16 o   63.148   9.2433   27.556   7.9099   27.556   7.9099   0.0000   0.0000   63.148   9.2433  ?   ?       ?      ? 
1 1 1   -8   20   17 o   70.209   9.1190   33.882   7.2453   32.582   8.2609   38.218   15.083   68.706   8.8726   71.713   15.934 -3.006546 18.23794 
1 1 1   -8   20   18 o   85.586   7.5716   48.931   7.6865   46.818   8.8492   55.422   15.512   82.501   7.9152   88.670   12.910 -6.168655 15.14311 
1 1 1   -8   20   19 o   75.463   8.8478   40.603   7.5925   40.507   8.7740   40.890   15.149   76.646   8.4475   74.279   15.549 2.366386 17.69556 
1 1 1   -8   20   20 o   81.547   7.6542   43.669   7.5155   40.707   8.6830   52.515   15.006   76.837   8.3390   86.256   12.838 -9.419563 15.30833 
1 1 1   -8   20   21 o   35.855   9.6159   7.1025   6.2526   9.1190   7.3611   1.8781   11.848   36.935   12.431   34.774   14.674 2.160511 19.23190 
1 1 1   -8   20   22 o   41.477   10.075   11.630   6.5809   12.902   7.7870   8.4505   12.310   42.385   12.619   40.569   15.710 1.815914 20.15008 
1 1 1   -8   20   23 o   47.618   10.164   16.098   6.6469   15.898   7.8386   16.609   12.540   46.645   12.245   48.592   16.226 -1.947041 20.32785 
1 1 1   -8   20   24 o   68.757   9.1913   39.644   7.2886   46.570   8.6550   22.756   13.515   82.209   7.7690   55.305   16.660 26.90379 18.38265 
1 1 1   -8   20   25 o   80.679   7.5473   43.647   7.4865   41.167   8.7851   50.227   14.308   77.160   8.4017   84.197   12.540 -7.036980 15.09450 
1 1 1   -8   20   26 o   75.758   8.3997   41.017   7.4442   40.933   8.7453   41.238   14.185   76.918   8.3900   74.598   14.554 2.320213 16.79931 
1 1 1   -8   20   27 o   29.750   9.0350   0.6659   6.2864   2.7798   7.4873  -4.3847   11.573   29.389   11.963   30.110   13.543 -0.7206230 18.06994 
1 1 1   -8   20   28 o   91.458   7.1120   53.947   8.0128   48.250   9.3366   69.872   15.610   83.481   8.2531   99.436   11.585 -15.95460 14.22396 
1 1 1   -8   20   29 o   68.383   9.8121   34.331   8.5137   33.298   10.671   36.142   14.122   67.600   12.092   69.165   15.456 -1.565086 19.62430 
1 1 1   -8   20   30 o  102.489   8.7274   75.829   11.943   64.581   17.404   85.842   16.420   94.683   13.564  110.295   10.986 -15.61205 17.45489 
1 1 1   -8   20   31 f   47.505   11.752   15.747   9.3000   15.592   13.897   15.873   12.516   47.688   17.022   47.321   16.208 0.3667297 23.50422 
1 1 1   -8   20   32 o   62.322   9.5942   26.611   7.6428   19.961   9.3899   39.663   13.156   51.650   13.327   72.994   13.805 -21.34412 19.18832 
1 1 1   -8   20   33 o   72.056   8.5818   37.328   7.8716   36.398   9.8584   38.965   13.075   71.891   10.119   72.222   13.863 -0.3310089 17.16364 
1 1 1   -8   20   34 o   43.000   9.6843   13.455   6.9812   19.555   8.8928   3.6593   11.270   51.102   12.854   34.898   14.489 16.20436 19.36868 
1 1 1   -8   20   35 o   46.754   10.330   15.976   7.1087   14.904   9.0251   17.727   11.538   44.833   13.639   48.675   15.518 -3.841682 20.65944 
1 1 1   -8   20   36 o   53.667   9.8163   19.883   6.7433   16.383   8.0246   28.293   12.440   46.786   12.441   60.548   15.187 -13.76109 19.63268 
1 1 1   -8   20   37 o   69.154   9.0505   33.603   8.4814   33.603   8.4814   0.0000   0.0000   69.154   9.0505  ?   ?       ?      ? 
1 1 1   -8   20   38 o   38.233   12.426   10.485   7.3729   10.485   7.3729   0.0000   0.0000   38.233   12.426  ?   ?       ?      ? 
1 1 1   -8   20   39 o   32.312   9.0443   4.7873   6.0535   8.1261   7.3920  -2.0110   10.548   35.024   12.424   29.601   13.147 5.422344 18.08870 
1 1 1   -8   20   40 o   42.196   9.9610   11.890   6.2919   9.6080   7.5511   17.072   11.380   37.012   12.590   47.379   15.440 -10.36678 19.92199 
1 1 1   -8   20   41 o   52.016   9.7600   20.846   6.6372   21.052   7.9292   20.365   12.131   53.055   11.371   50.976   15.866 2.078579 19.52008 
1 1 1   -8   20   42 o   47.379   9.2013   19.091   6.8056   25.628   8.1623   4.1829   12.327   58.931   10.611   35.828   15.035 23.10293 18.40259 
1 1 1   -8   20   43 o   59.802   9.4282   30.312   7.1884   35.308   8.6044   18.770   13.080   70.547   9.0002   49.056   16.570 21.49190 18.85644 
1 1 1   -8   20   44 o   71.391   10.701   40.301   10.054   48.030   14.501   33.145   13.952   78.805   14.096   63.978   16.104 14.82655 21.40240 
1 1 1   -8   20   45 o   48.133   10.157   18.358   6.8666   19.254   8.1682   16.199   12.679   50.137   12.150   46.128   16.281 4.009212 20.31477 
1 1 1   -8   20   46 o   68.435   8.4739   28.658   7.0645   18.769   8.2276   56.407   13.782   49.359   12.335   87.511   11.622 -38.15192 16.94773 
1 1 1   -8   20   47 o   30.945   9.5109   0.8490   7.3578   1.3236   9.6345   0.1850   11.397   30.255   13.014   31.635   13.873 -1.380835 19.02179 
1 1 1   -8   20   48 o   32.836   9.9852  -1.9070   8.3135   10.258   13.078 -10.1569   10.770   40.584   16.051   25.087   11.882 15.49660 19.97034 
1 1 1   -8   20   49 o   50.022   11.627   19.097   9.3013   29.045   14.453   12.065   12.152   58.526   17.131   41.517   15.725 17.00843 23.25376 
1 1 1   -8   20   50 o   50.872   11.809   21.656   9.5675   17.234   14.467   25.093   12.755   46.876   17.278   54.868   16.102 -7.992146 23.61822 
1 1 1   -8   20   51 o   51.901   10.065   20.006   7.7828   9.9803   10.145   34.347   12.133   38.213   14.393   65.590   14.072 -27.37661 20.12921 
1 1 1   -8   20   52 o   42.117   10.589   13.420   7.4979   12.706   9.7255   14.467   11.773   40.885   14.272   43.350   15.646 -2.464508 21.17705 
1 1 1   -8   20   53 o   34.254   13.660   6.5609   9.5442   6.5609   9.5442   0.0000   0.0000   34.254   13.660  ?   ?       ?      ? 
1 1 1   -8   20   54 o   35.406   13.715   7.9613   9.3842   7.9613   9.3842   0.0000   0.0000   35.406   13.715  ?   ?       ?      ? 
1 1 1   -8   20   55 o   39.163   13.992   11.561   9.3919   11.561   9.3919   0.0000   0.0000   39.163   13.992  ?   ?       ?      ? 
1 1 1   -8   20   56 o   69.801   11.081   36.616   10.481   36.616   10.481   0.0000   0.0000   69.801   11.081  ?   ?       ?      ? 
1 1 1   -8   20   57 o   40.755   14.193   13.160   9.6155   13.160   9.6155   0.0000   0.0000   40.755   14.193  ?   ?       ?      ? 
1 1 1   -8   20   58 o   42.704   14.328   14.982   9.7794   14.982   9.7794   0.0000   0.0000   42.704   14.328  ?   ?       ?      ? 
1 1 1   -8   20   59 o   32.525   13.423   5.3977   9.5893   5.3977   9.5893   0.0000   0.0000   32.525   13.423  ?   ?       ?      ? 
1 1 1   -8   20   60 o   48.154   14.366   19.943   10.085   19.943   10.085   0.0000   0.0000   48.154   14.366  ?   ?       ?      ? 
1 1 1   -8   20   61 o   17.786   8.8120 -16.2183   7.9774 -16.2183   7.9774   0.0000   0.0000   17.786   8.8120  ?   ?       ?      ? 
1 1 1   -8   20   62 o   34.396   13.469   8.3810   9.1266   8.3810   9.1266   0.0000   0.0000   34.396   13.469  ?   ?       ?      ? 
1 1 1   -8   20   63 o   44.776   13.867   17.624   9.2798   17.624   9.2798   0.0000   0.0000   44.776   13.867  ?   ?       ?      ? 
1 1 1   -8   20   64 o   31.707   12.962   6.2759   8.8367   6.2759   8.8367   0.0000   0.0000   31.707   12.962  ?   ?       ?      ? 
1 1 1   -8   20   65 o   37.031   15.191   11.008   12.192   11.008   12.192   0.0000   0.0000   37.031   15.191  ?   ?       ?      ? 
1 1 1   -8   20   66 o   37.570   15.300   12.264   12.254   12.264   12.254   0.0000   0.0000   37.570   15.300  ?   ?       ?      ? 
1 1 1   -8   20   67 o   38.813   15.791   14.466   13.037   14.466   13.037   0.0000   0.0000   38.813   15.791  ?   ?       ?      ? 
1 1 1   -8   21    1 o   48.762   9.9393   16.039   6.9008   10.931   8.6649   24.897   11.411   39.952   13.487   57.572   14.604 -17.61997 19.87860 
1 1 1   -8   21    2 o   74.535   7.6274   38.711   7.6204   36.773   9.9681   41.437   11.821   72.465   10.151   76.604   11.387 -4.138718 15.25480 
1 1 1   -8   21    3 o   74.271   7.5615   38.919   7.4925   39.743   9.8451   37.786   11.550   75.460   9.6276   73.082   11.663 2.378586 15.12297 
1 1 1   -8   21    4 o   51.864   9.6397   20.601   6.9330   24.025   8.9513   15.467   10.960   57.282   11.919   46.446   15.153 10.83623 19.27942 
1 1 1   -8   21    5 o   82.593   7.1262   47.943   7.7998   48.769   10.093   46.719   12.290   83.771   8.8908   81.414   11.139 2.357155 14.25239 
1 1 1   -8   21    6 o   62.133   8.8708   28.660   7.1649   31.353   9.2852   24.696   11.265   66.893   10.243   57.373   14.486 9.520226 17.74166 
1 1 1   -8   21    7 o   32.562   8.8286  -2.1234   6.3793 -12.3262   8.1197   14.331   10.311   20.248   9.7810   44.877   14.701 -24.62935 17.65727 
1 1 1   -8   21    8 o   60.805   10.151   34.770   8.4956   43.054   9.5801   4.2719   18.382   78.678   8.9853   42.932   18.206 35.74592 20.30270 
1 1 1   -8   21    9 o   82.155   10.843   56.856   9.6227   62.827   11.028   37.809   19.696   95.152   8.5529   69.157   19.928 25.99504 21.68565 
1 1 1   -8   21   10 o  144.665   7.4623  152.472   12.633  158.652   14.767  135.605   24.396  151.723   7.1823  137.606   13.083 14.11726 14.92467 
1 1 1   -8   21   11 o   56.513   10.112   20.247   6.7806   16.726   7.6814   32.674   14.431   47.658   11.923   65.368   16.336 -17.71041 20.22470 
1 1 1   -8   21   12 o   66.352   8.8646   28.024   6.8131   24.300   7.7458   40.751   14.321   58.954   9.6955   73.750   14.843 -14.79607 17.72913 
1 1 1   -8   21   13 o  103.189   7.0785   74.886   8.3578   75.137   9.5666   74.076   17.177  104.490   6.7562  101.888   12.441 2.602020 14.15699 
1 1 1   -8   21   14 o  117.037   6.6345   93.591   8.9451   91.757   10.208   99.658   18.566  115.520   6.5209  118.555   11.556 -3.035744 13.26893 
1 1 1   -8   21   15 f   69.036   8.9466   33.065   7.0618   31.521   8.0854   38.032   14.500   67.279   8.8683   70.793   15.541 -3.513481 17.89314 
1 1 1   -8   21   16 o   29.304   9.1186  -0.8065   6.1189  -0.9734   7.0426  -0.2925   12.359   25.060   10.949   33.548   14.584 -8.488392 18.23713 
1 1 1   -8   21   17 o   88.940   9.5344   55.376   11.491   55.376   11.491   0.0000   0.0000   88.940   9.5344  ?   ?       ?      ? 
1 1 1   -8   21   18 o   30.270   12.864   1.1081   9.2112   1.1081   9.2112   0.0000   0.0000   30.270   12.864  ?   ?       ?      ? 
1 1 1   -8   21   19 o   32.826   9.3960  -0.6230   5.9933  -4.9299   6.8898   12.772   12.151   21.761   10.038   43.891   15.886 -22.13001 18.79197 
1 1 1   -8   21   20 o   51.335   9.8389   19.568   6.4171   19.622   7.4111   19.404   12.828   51.752   10.911   50.918   16.376 0.8343811 19.67776 
1 1 1   -8   21   21 o   41.030   9.2466   12.836   6.3419   17.490   7.3562  -0.6375   12.516   48.671   11.360   33.389   14.593 15.28177 18.49313 
1 1 1   -8   21   22 o   41.012   10.043   11.469   6.3570   11.825   7.4293   10.495   12.283   40.337   12.394   41.688   15.805 -1.351334 20.08508 
1 1 1   -8   21   23 o  102.748   6.6757   68.874   8.2079   63.402   9.4321   85.948   16.660   95.688   7.2739  109.808   11.196 -14.11932 13.35138 
1 1 1   -8   21   24 o   42.035   10.510   12.095   7.6730   15.555   9.8541   6.7674   12.229   45.762   14.309   38.309   15.397 7.453499 21.01989 
1 1 1   -8   21   25 o   90.423   7.8746   55.307   9.3868   44.531   11.766   74.176   15.569   79.011   10.989  101.835   11.282 -22.82458 15.74911 
1 1 1   -8   21   26 o   63.030   9.2576   27.791   7.1049   24.639   8.4092   35.655   13.282   57.876   11.126   68.184   14.799 -10.30834 18.51522 
1 1 1   -8   21   27 o   90.366   7.3787   59.856   8.0182   62.268   9.5190   53.966   14.878   94.666   7.4201   86.066   12.756 8.600601 14.75731 
1 1 1   -8   21   28 f   98.044   6.9457   65.528   8.3030   62.314   9.7101   74.272   16.014   94.616   7.5732  101.472   11.646 -6.856163 13.89148 
1 1 1   -8   21   29 o   32.792   9.3758   1.2683   6.2416  -3.1745   7.4672   11.570   11.370   23.922   10.808   41.662   15.324 -17.73980 18.75170 
1 1 1   -8   21   30 o   83.959   7.5543   50.629   7.6838   50.800   9.0707   50.194   14.459   85.267   7.8502   82.652   12.909 2.615150 15.10865 
1 1 1   -8   21   31 o   33.505   9.1417  -0.6927   6.0771  -7.4215   7.1879   16.173   11.380   20.673   9.7664   46.337   15.456 -25.66333 18.28331 
1 1 1   -8   21   32 o   61.644   9.6487   27.040   8.0601   27.040   8.0601   0.0000   0.0000   61.644   9.6487  ?   ?       ?      ? 
1 1 1   -8   21   33 o   64.574   9.2518   29.598   8.0960   29.598   8.0960   0.0000   0.0000   64.574   9.2518  ?   ?       ?      ? 
1 1 1   -8   21   34 o   39.873   9.9046   7.1568   6.1710   2.5937   7.1043   21.183   12.455   28.109   11.572   51.636   16.078 -23.52683 19.80925 
1 1 1   -8   21   35 o   47.201   9.8056   17.804   6.3988   19.267   7.4123   13.524   12.677   50.657   11.104   43.745   16.165 6.912033 19.61122 
1 1 1   -8   21   36 o   38.394   9.7521   6.1646   6.1129   1.4637   7.0926   19.743   12.054   26.921   11.357   49.866   15.857 -22.94579 19.50426 
1 1 1   -8   21   37 o   40.345   10.261   11.609   7.1215   12.958   9.0037   9.3568   11.639   41.553   13.743   39.136   15.242 2.417248 20.52275 
1 1 1   -8   21   38 o   50.517   9.9131   18.119   8.6456   0.1269   12.168   36.463   12.286   32.581   14.310   68.453   13.722 -35.87232 19.82625 
1 1 1   -8   21   39 o   30.198   9.4502  -2.8278   7.8912   4.4419   11.444  -9.4174   10.896   34.735   14.526   25.661   12.093 9.073076 18.90044 
1 1 1   -8   21   40 o   45.598   10.503   15.885   7.2553   14.442   9.1309   18.358   11.950   43.241   13.806   47.956   15.831 -4.715008 21.00577 
1 1 1   -8   21   41 o   45.244   10.439   14.378   7.4852   8.3203   9.5534   24.009   12.046   36.330   13.899   54.158   15.578 -17.82840 20.87735 
1 1 1   -8   21   42 o   50.208   9.8999   19.522   6.6977   18.247   8.1865   22.103   11.648   48.417   12.417   51.998   15.422 -3.580383 19.79984 
1 1 1   -8   21   43 o   43.063   9.0823   11.205   7.5669   27.850   10.411  -7.4355   11.017   59.497   13.252   26.630   12.423 32.86705 18.16469 
1 1 1   -8   21   44 o   32.562   9.2678   1.9201   7.3114   12.009   9.6655 -11.5746   11.178   40.171   14.211   24.953   11.900 15.21861 18.53569 
1 1 1   -8   21   45 o   72.756   9.2095   41.684   8.6285   45.236   11.325   36.767   13.322   78.372   10.663   67.139   15.019 11.23268 18.41903 
1 1 1   -8   21   46 o   39.587   10.449   11.222   7.5487   12.599   10.004   9.4009   11.503   40.798   14.455   38.376   15.093 2.421764 20.89861 
1 1 1   -8   21   47 o   36.294   9.9265   7.2022   7.7164   14.346   9.8769  -3.9885   12.362   42.674   14.399   29.915   13.668 12.75914 19.85292 
1 1 1   -8   21   48 o   28.977   9.0794  -3.8796   7.1867 -10.5998   9.2383   6.4210   11.437   22.324   10.693   35.630   14.677 -13.30674 18.15879 
1 1 1   -8   21   49 o   59.977   12.895   28.594   10.169   28.594   10.169   0.0000   0.0000   59.977   12.895  ?   ?       ?      ? 
1 1 1   -8   21   50 o   31.998   13.069   5.0208   8.9735   5.0208   8.9735   0.0000   0.0000   31.998   13.069  ?   ?       ?      ? 
1 1 1   -8   21   51 f   28.350   12.348   0.9051   8.8921   0.9051   8.8921   0.0000   0.0000   28.350   12.348  ?   ?       ?      ? 
1 1 1   -8   21   52 o   47.136   13.962   18.505   9.5515   18.505   9.5515   0.0000   0.0000   47.136   13.962  ?   ?       ?      ? 
1 1 1   -8   21   53 o   39.428   13.920   12.338   9.2679   12.338   9.2679   0.0000   0.0000   39.428   13.920  ?   ?       ?      ? 
1 1 1   -8   21   54 o   52.854   13.770   23.520   9.9615   23.520   9.9615   0.0000   0.0000   52.854   13.770  ?   ?       ?      ? 
1 1 1   -8   21   55 o   38.663   13.905   11.998   9.2893   11.998   9.2893   0.0000   0.0000   38.663   13.905  ?   ?       ?      ? 
1 1 1   -8   21   56 o   60.136   12.664   29.775   9.9939   29.775   9.9939   0.0000   0.0000   60.136   12.664  ?   ?       ?      ? 
1 1 1   -8   21   57 o   24.156   11.116  -3.3195   8.3793  -3.3195   8.3793   0.0000   0.0000   24.156   11.116  ?   ?       ?      ? 
1 1 1   -8   21   58 o   36.724   13.559   10.955   8.9150   10.955   8.9150   0.0000   0.0000   36.724   13.559  ?   ?       ?      ? 
1 1 1   -8   21   59 o   29.907   12.657   4.2672   8.8556   4.2672   8.8556   0.0000   0.0000   29.907   12.657  ?   ?       ?      ? 
1 1 1   -8   21   60 o   29.994   13.657   0.2575   12.210   0.2575   12.210   0.0000   0.0000   29.994   13.657  ?   ?       ?      ? 
1 1 1   -8   21   61 o   33.052   14.465   5.8796   12.335   5.8796   12.335   0.0000   0.0000   33.052   14.465  ?   ?       ?      ? 
1 1 1   -8   21   62 o   36.447   15.268   11.298   12.676   11.298   12.676   0.0000   0.0000   36.447   15.268  ?   ?       ?      ? 
1 1 1   -8   22    1 o   60.704   10.429   30.302   7.9080   32.894   9.0730   22.108   16.131   68.071   9.8358   53.336   18.394 14.73411 20.85833 
1 1 1   -8   22    2 o   46.320   11.326   11.482   7.3172   7.7863   8.1685   26.493   16.461   35.249   12.985   57.390   18.560 -22.14186 22.65147 
1 1 1   -8   22    3 o   76.296   7.3804   40.512   7.4883   36.454   9.5438   47.012   12.079   71.670   9.8265   80.923   11.014 -9.252426 14.76071 
1 1 1   -8   22    4 o   49.503   9.7410   17.625   6.7018   13.352   8.4871   24.702   10.923   42.423   13.282   56.584   14.252 -14.16097 19.48195 
1 1 1   -8   22    5 o   61.916   8.8015   29.547   7.0242   33.449   9.0338   23.580   11.170   68.692   9.7047   55.139   14.686 13.55267 17.60308 
1 1 1   -8   22    6 o   58.231   9.2176   25.963   6.9350   26.934   8.7909   24.363   11.285   60.428   11.146   56.035   14.684 4.392525 18.43515 
1 1 1   -8   22    7 o   59.144   8.9403   25.684   6.7967   23.245   8.6099   29.718   11.072   55.796   11.758   62.492   13.471 -6.695984 17.88064 
1 1 1   -8   22    8 o   68.141   7.6970   32.692   6.9641   30.381   8.8773   36.391   11.230   65.355   10.023   70.927   11.683 -5.571701 15.39393 
1 1 1   -8   22    9 o   26.771   8.4530  -2.3285   5.9838  -3.1054   7.4515  -0.9176   10.041   23.933   10.806   29.608   13.002 -5.675230 16.90610 
1 1 1   -8   22   10 o   31.322   9.5118  -1.9533   6.5243  -5.6623   7.5655   8.8079   12.887   22.442   10.410   40.201   15.922 -17.75889 19.02361 
1 1 1   -8   22   11 o   39.454   9.7865   11.095   6.1050   12.724   6.8824   5.0828   13.223   41.304   11.741   37.604   15.660 3.699963 19.57293 
1 1 1   -8   22   12 o   98.817   7.1647   68.586   8.0328   67.723   9.1339   71.532   16.876   98.810   6.8214   98.824   12.601 -0.1483154E-01 14.32931 
1 1 1   -8   22   13 o   40.633   9.1875   0.8847   5.8509  -6.1988   6.5326   29.606   13.154   20.090   9.4347   61.176   15.768 -41.08522 18.37493 
1 1 1   -8   22   14 f   33.371   8.4783   6.1638   5.9856   12.647   6.7637 -17.2517   12.854   41.148   11.620   25.594   12.350 15.55371 16.95661 
1 1 1   -8   22   15 o   55.208   9.8907   20.383   6.4611   17.411   7.3169   30.904   13.767   48.185   11.386   62.231   16.176 -14.04589 19.78143 
1 1 1   -8   22   16 o   51.834   9.8216   21.060   6.4671   21.819   7.4216   18.668   13.182   54.402   10.447   49.266   16.635 5.135818 19.64323 
1 1 1   -8   22   17 o   67.533   8.9798   32.916   6.8918   31.799   7.8834   36.536   14.194   67.155   8.6627   67.910   15.732 -0.7548904 17.95970 
1 1 1   -8   22   18 o   53.546   10.400   19.107   7.9518   10.171   9.7861   36.473   13.642   38.962   14.233   68.130   15.166 -29.16856 20.79917 
1 1 1   -8   22   19 o   32.836   9.9180   1.7875   7.4047   0.3739   9.0668   4.6185   12.831   29.027   12.555   36.646   15.357 -7.619532 19.83599 
1 1 1   -8   22   20 o   77.204   8.8546   41.650   8.7922   33.142   10.914   57.382   14.840   66.154   12.635   88.255   12.409 -22.10081 17.70911 
1 1 1   -8   22   21 o   48.253   10.190   16.199   6.4197   13.990   7.3878   23.008   12.972   42.969   12.147   53.538   16.365 -10.56897 20.38078 
1 1 1   -8   22   22 o   54.489   9.5462   17.727   6.4893   11.280   7.4425   38.169   13.253   39.047   12.465   69.932   14.462 -30.88555 19.09231 
1 1 1   -8   22   23 o   51.377   10.136   19.712   6.6746   18.639   7.7363   22.835   13.201   49.568   11.704   53.185   16.551 -3.617020 20.27150 
1 1 1   -8   22   24 o   36.188   10.537   4.2718   7.8954   1.0220   9.5841   11.135   13.928   30.113   12.967   42.263   16.612 -12.15071 21.07335 
1 1 1   -8   22   25 o   34.437   13.539   6.4515   9.2540   6.4515   9.2540   0.0000   0.0000   34.437   13.539  ?   ?       ?      ? 
1 1 1   -8   22   26 o   31.829   9.2860   4.2917   6.0530   6.2260   6.8734  -2.3910   12.776   31.826   11.874   31.832   14.280 -0.5863190E-02 18.57193 
1 1 1   -8   22   27 o   59.701   9.4604   25.534   7.6537   25.534   7.6537   0.0000   0.0000   59.701   9.4604  ?   ?       ?      ? 
1 1 1   -8   22   28 o   39.807   11.985   11.986   6.9958   11.986   6.9958   0.0000   0.0000   39.807   11.985  ?   ?       ?      ? 
1 1 1   -8   22   29 o   40.301   10.122   10.975   6.2240   10.061   7.1571   13.807   12.606   37.034   12.253   43.568   16.115 -6.533710 20.24470 
1 1 1   -8   22   30 o   46.806   9.7131   18.111   6.4620   20.311   7.5228   11.918   12.621   51.826   11.049   41.785   15.978 10.04168 19.42612 
1 1 1   -8   22   31 o   31.410   9.0058   4.3893   6.0593   7.7448   7.0180  -5.4374   12.010   33.758   12.092   29.062   13.349 4.696619 18.01157 
1 1 1   -8   22   32 o   52.263   9.5991   16.898   6.3964   10.761   7.3787   35.453   12.830   37.979   12.435   66.547   14.626 -28.56804 19.19818 
1 1 1   -8   22   33 o   40.636   10.906   11.406   8.2792   11.891   11.624   10.907   11.795   41.050   15.417   40.222   15.430 0.8281021 21.81243 
1 1 1   -8   22   34 o   33.507   8.8988   6.3313   6.2351   11.995   7.4266  -7.1942   11.477   39.638   12.427   27.376   12.741 12.26195 17.79765 
1 1 1   -8   22   35 o   38.445   9.0024   11.390   6.2121   16.575   7.3579  -1.4777   11.592   46.302   11.717   30.589   13.671 15.71274 18.00485 
1 1 1   -8   22   36 o   41.007   9.9279   12.809   6.3695   13.404   7.5564   11.350   11.839   41.561   12.443   40.454   15.473 1.107079 19.85584 
1 1 1   -8   22   37 o   35.843   9.4548   8.7008   6.3983   12.023   7.6277   0.8137   11.753   39.574   12.617   32.112   14.085 7.462315 18.90957 
1 1 1   -8   22   38 o   59.871   10.359   28.057   8.1113   24.062   10.147   35.126   13.499   54.697   13.715   65.046   15.529 -10.34945 20.71866 
1 1 1   -8   22   39 o   37.223   10.213   7.2181   7.3239   2.4802   9.2042   15.396   12.092   30.273   12.862   44.174   15.867 -13.90146 20.42539 
1 1 1   -8   22   40 o   38.286   10.319   10.139   7.3544   10.550   9.4799   9.5167   11.655   38.173   13.999   38.399   15.163 -0.2262306 20.63753 
1 1 1   -8   22   41 o   57.253   10.125   27.608   7.8668   30.953   10.228   22.764   12.309   62.811   12.457   51.694   15.965 11.11662 20.24948 
1 1 1   -8   22   42 o   34.663   9.7946   5.3230   6.9983   0.5712   8.9486   12.806   11.229   28.293   12.353   41.033   15.204 -12.74018 19.58927 
1 1 1   -8   22   43 o   29.831   9.1160   1.4330   6.8758   4.8780   8.6999  -4.2995   11.223   31.561   12.877   28.101   12.907 3.459980 18.23201 
1 1 1   -8   22   44 o   26.228   8.5349  -4.4083   6.6265  -6.1702   8.2330  -1.1673   11.166   22.735   10.649   29.722   13.341 -6.987230 17.06984 
1 1 1   -8   22   45 o   55.419   13.050   24.971   9.6389   24.971   9.6389   0.0000   0.0000   55.419   13.050  ?   ?       ?      ? 
1 1 1   -8   22   46 o   50.574   13.568   21.267   9.4912   21.267   9.4912   0.0000   0.0000   50.574   13.568  ?   ?       ?      ? 
1 1 1   -8   22   47 o   37.094   13.772   10.384   9.2232   10.384   9.2232   0.0000   0.0000   37.094   13.772  ?   ?       ?      ? 
1 1 1   -8   22   48 o   36.968   13.668   10.467   9.0660   10.467   9.0660   0.0000   0.0000   36.968   13.668  ?   ?       ?      ? 
1 1 1   -8   22   49 o   19.030   9.3093 -12.8710   8.0104 -12.8710   8.0104   0.0000   0.0000   19.030   9.3093  ?   ?       ?      ? 
1 1 1   -8   22   50 o   58.464   12.184   27.892   9.3399   27.892   9.3399   0.0000   0.0000   58.464   12.184  ?   ?       ?      ? 
1 1 1   -8   22   51 o   19.219   9.3365 -10.7213   7.6713 -10.7213   7.6713   0.0000   0.0000   19.219   9.3365  ?   ?       ?      ? 
1 1 1   -8   22   52 o   39.175   13.436   13.073   8.6017   13.073   8.6017   0.0000   0.0000   39.175   13.436  ?   ?       ?      ? 
1 1 1   -8   22   53 o   47.459   16.625   22.415   13.203   22.415   13.203   0.0000   0.0000   47.459   16.625  ?   ?       ?      ? 
1 1 1   -8   22   54 o   32.944   14.446   5.0768   12.358   5.0768   12.358   0.0000   0.0000   32.944   14.446  ?   ?       ?      ? 
1 1 1   -8   22   55 o   38.723   15.850   13.436   13.236   13.436   13.236   0.0000   0.0000   38.723   15.850  ?   ?       ?      ? 
1 1 1   -8   22   56 o   36.755   15.455   11.388   13.066   11.388   13.066   0.0000   0.0000   36.755   15.455  ?   ?       ?      ? 
1 1 1   -8   23    1 o   24.559   7.9164  -4.5326   6.0112   0.1206   7.5376 -12.6626   9.9634   26.301   11.412   22.818   10.975 3.483585 15.83286 
1 1 1   -8   23    2 f   47.925   9.8964   17.802   6.6961   16.466   8.5413   19.933   10.786   45.964   13.085   49.887   14.851 -3.923923 19.79285 
1 1 1   -8   23    3 o   38.029   9.4294   7.7308   6.2586   1.6882   7.8552   18.235   10.357   28.139   11.915   47.919   14.618 -19.78036 18.85872 
1 1 1   -8   23    4 o   59.208   8.8236   27.026   6.8490   28.592   8.8678   24.712   10.782   62.709   10.435   55.707   14.231 7.001789 17.64721 
1 1 1   -8   23    5 f   38.096   9.1096   10.215   6.2403   16.161   8.0630   1.3346   9.8543   45.662   12.613   30.530   13.147 15.13197 18.21916 
1 1 1   -8   23    6 o   51.032   9.6804   20.555   6.7589   20.706   8.7379   20.331   10.664   51.665   12.595   50.399   14.704 1.265858 19.36080 
1 1 1   -8   23    7 o   35.161   9.4886   6.4284   6.2794   2.7298   8.0022   12.356   10.130   29.287   12.188   41.036   14.546 -11.74868 18.97724 
1 1 1   -8   23    8 o   66.585   8.6019   37.572   7.1649   51.986   9.4324   17.910   11.016   85.706   8.1214   47.464   15.166 38.24142 17.20383 
1 1 1   -8   23    9 o   35.368   10.057   6.4444   6.8335   6.3091   8.0565   6.7914   12.901   32.963   12.724   37.773   15.577 -4.809986 20.11328 
1 1 1   -8   23   10 o   43.605   9.7490   15.188   6.1538   16.674   6.9934   10.089   12.953   46.810   11.179   40.400   15.975 6.410332 19.49804 
1 1 1   -8   23   11 o   33.794   9.8339   3.8098   6.9350   1.0027   8.5026   9.3887   11.986   28.444   12.230   39.144   15.403 -10.70007 19.66785 
1 1 1   -8   23   12 o   50.148   10.752   20.353   7.6784   21.028   9.2225   18.827   13.862   51.784   13.125   48.513   17.033 3.270470 21.50320 
1 1 1   -8   23   13 o   70.029   9.8105   37.947   8.4649   37.621   10.194   38.671   15.192   71.847   10.470   68.212   16.594 3.634529 19.62097 
1 1 1   -8   23   14 o   33.390   9.5917   5.2129   5.8959   4.9987   6.6754   5.9730   12.573   29.972   11.579   36.809   15.295 -6.836456 19.18337 
1 1 1   -8   23   15 o   33.946   9.5550   6.3503   6.0280   7.1640   6.8961   3.7151   12.410   32.884   11.958   35.008   14.906 -2.123177 19.11008 
1 1 1   -8   23   16 o   36.992   9.9143   8.3746   6.0488   7.7091   6.9095   10.558   12.514   33.595   12.002   40.388   15.784 -6.793308 19.82858 
1 1 1   -8   23   17 o   31.440   9.3371   0.8926   5.7492  -1.7584   6.5124   10.256   12.239   22.951   10.253   39.930   15.608 -16.97948 18.67426 
1 1 1   -8   23   18 f   43.707   10.137   13.947   6.2701   12.923   7.2320   17.047   12.583   41.007   12.150   46.406   16.231 -5.398952 20.27482 
1 1 1   -8   23   19 o   53.629   9.8082   19.849   6.3552   16.581   7.2529   30.654   13.188   46.418   11.571   60.841   15.840 -14.42298 19.61649 
1 1 1   -8   23   20 o   55.100   8.8514   29.542   6.9492   37.970   8.0651   5.2484   13.692   73.109   8.1406   37.091   15.720 36.01833 17.70290 
1 1 1   -8   23   21 o   99.435   7.0060   69.421   9.4404   69.421   9.4404   0.0000   0.0000   99.435   7.0060  ?   ?       ?      ? 
1 1 1   -8   23   22 o   56.955   10.567   24.388   7.8555   24.388   7.8555   0.0000   0.0000   56.955   10.567  ?   ?       ?      ? 
1 1 1   -8   23   23 o   52.505   10.289   19.411   6.6796   16.288   7.6134   29.852   13.920   45.727   12.099   59.282   16.645 -13.55436 20.57713 
1 1 1   -8   23   24 o   56.956   9.8737   24.999   6.8102   23.937   7.8527   28.224   13.678   56.308   10.682   57.604   16.609 -1.296570 19.74745 
1 1 1   -8   23   25 o   30.098   9.2020   1.9774   6.0781   2.3207   6.9570   0.8704   12.493   27.257   11.356   32.940   14.483 -5.683493 18.40398 
1 1 1   -8   23   26 o   32.494   9.1708   5.6416   6.1564   8.7915   7.0944  -3.9636   12.389   34.962   12.190   30.026   13.705 4.935995 18.34159 
1 1 1   -8   23   27 o   41.648   11.199   12.336   8.7580   9.6771   11.959   15.411   12.861   38.867   15.356   44.429   16.304 -5.561413 22.39714 
1 1 1   -8   23   28 o   63.248   10.279   32.471   8.2785   32.916   9.9622   31.477   14.882   66.499   11.055   59.998   17.332 6.500645 20.55725 
1 1 1   -8   23   29 o   42.797   9.9558   7.8452   6.4094   1.4604   7.2917   29.543   13.442   26.837   11.427   58.756   16.307 -31.91858 19.91163 
1 1 1   -8   23   30 o   34.938   9.5513   7.9169   6.3883   10.407   7.4048   0.6685   12.633   37.133   12.468   32.744   14.473 4.389278 19.10256 
1 1 1   -8   23   31 o   53.703   9.9378   17.483   6.9139   9.8459   7.9343   41.578   14.093   36.545   12.882   70.861   15.136 -34.31564 19.87564 
1 1 1   -8   23   32 o   44.232   14.042   15.860   9.4550   15.860   9.4550   0.0000   0.0000   44.232   14.042  ?   ?       ?      ? 
1 1 1   -8   23   33 o   42.885   13.892   14.830   9.2197   14.830   9.2197   0.0000   0.0000   42.885   13.892  ?   ?       ?      ? 
1 1 1   -8   23   34 o   41.197   10.559   12.679   7.3096   10.796   9.0428   16.230   12.416   37.942   13.709   44.453   16.064 -6.510536 21.11840 
1 1 1   -8   23   35 o   28.575   9.0009  -0.8881   6.8191  -2.5906   8.6267   1.9475   11.133   25.490   11.557   31.661   13.802 -6.170908 18.00177 
1 1 1   -8   23   36 o   25.702   8.3666  -3.9720   6.5255  -4.1138   8.2932  -3.7417   10.574   23.976   11.043   27.427   12.572 -3.451067 16.73313 
1 1 1   -8   23   37 o   36.761   10.149   8.8373   7.0477   7.0298   8.7635   12.147   11.858   33.460   13.169   40.062   15.445 -6.602203 20.29704 
1 1 1   -8   23   38 o   44.404   10.373   16.984   7.4437   19.884   9.4717   12.301   12.038   48.694   13.750   40.114   15.535 8.580101 20.74590 
1 1 1   -8   23   39 o   24.416   8.0705  -6.0952   6.6696  -2.4031   8.4448 -12.2163   10.873   25.129   11.409   23.704   11.417 1.424984 16.14094 
1 1 1   -8   23   40 o   32.083   12.878   6.1193   8.5416   6.1193   8.5416   0.0000   0.0000   32.083   12.878  ?   ?       ?      ? 
1 1 1   -8   23   41 o   24.498   11.203  -2.9169   8.3310  -2.9169   8.3310   0.0000   0.0000   24.498   11.203  ?   ?       ?      ? 
1 1 1   -8   23   42 o   19.099   9.3043 -11.5607   7.7670 -11.5607   7.7670   0.0000   0.0000   19.099   9.3043  ?   ?       ?      ? 
1 1 1   -8   23   43 o   29.026   13.466  -3.9550   12.666  -3.9550   12.666   0.0000   0.0000   29.026   13.466  ?   ?       ?      ? 
1 1 1   -8   23   44 o   33.862   14.669   5.3761   12.416   5.3761   12.416   0.0000   0.0000   33.862   14.669  ?   ?       ?      ? 
1 1 1   -8   23   45 o   38.295   15.774   11.476   13.211   11.476   13.211   0.0000   0.0000   38.295   15.774  ?   ?       ?      ? 
1 1 1   -8   23   46 o   29.513   13.582  -1.6233   12.510  -1.6233   12.510   0.0000   0.0000   29.513   13.582  ?   ?       ?      ? 
1 1 1   -8   23   47 o   41.486   16.217   16.363   13.214   16.363   13.214   0.0000   0.0000   41.486   16.217  ?   ?       ?      ? 
1 1 1   -8   23   48 o   31.875   14.257   3.4300   12.633   3.4300   12.633   0.0000   0.0000   31.875   14.257  ?   ?       ?      ? 
1 1 1   -8   23   49 o   26.703   12.615  -5.3697   11.994  -5.3697   11.994   0.0000   0.0000   26.703   12.615  ?   ?       ?      ? 
1 1 1   -8   24    1 o   30.999   9.3997   1.9539   7.1622  -1.3097   10.204   5.1233   10.056   28.704   12.827   33.294   13.743 -4.590864 18.79946 
1 1 1   -8   24    2 o   57.671   10.012   28.273   8.3943   16.151   12.768   37.502   11.141   44.857   16.277   70.485   11.663 -25.62868 20.02466 
1 1 1   -8   24    3 f   29.741   12.924   1.1217   9.6983   0.0000   0.0000   1.1217   9.6983  ?   ?    29.741   12.924      ?      ? 
1 1 1   -8   24    4 o   37.445   14.238   9.6372   9.9868   0.0000   0.0000   9.6372   9.9868  ?   ?    37.445   14.238      ?      ? 
1 1 1   -8   24    5 o   28.445   12.550  -0.2533   9.4571   0.0000   0.0000  -0.2533   9.4571  ?   ?    28.445   12.550      ?      ? 
1 1 1   -8   24    6 o   60.520   9.7884   31.811   8.5667   14.510   13.079   44.809   11.337   43.409   16.344   77.631   10.776 -34.22163 19.57688 
1 1 1   -8   24    7 o   37.347   10.115   9.1823   7.3997   4.2228   11.188   13.038   9.8654   33.670   14.237   41.024   14.371 -7.353821 20.22906 
1 1 1   -8   24    8 o   26.986   8.6943  -4.0945   7.0313  -0.1876   10.401  -7.3829   9.5421   29.677   13.124   24.295   11.407 5.382488 17.38855 
1 1 1   -8   24    9 o   39.751   9.2151   12.210   6.8691   19.476   8.3173  -3.3789   12.183   49.590   12.407   29.913   13.628 19.67745 18.43024 
1 1 1   -8   24   10 o   43.309   10.595   12.632   7.0622   8.6408   8.3498   22.663   13.237   35.336   13.107   51.282   16.649 -15.94618 21.18919 
1 1 1   -8   24   11 o   35.255   9.8019   7.7407   6.6375   8.5762   8.0322   5.9415   11.787   35.049   12.881   35.461   14.778 -0.4116554 19.60380 
1 1 1   -8   24   12 o   35.847   9.8935   6.1373   6.6911   2.0578   8.1134   14.811   11.831   28.429   12.077   43.266   15.673 -14.83689 19.78691 
1 1 1   -8   24   13 o   55.377   9.6409   26.406   7.3172   30.575   8.9376   17.932   12.743   64.318   10.254   46.435   16.329 17.88277 19.28189 
1 1 1   -8   24   14 o   43.395   13.404   15.116   8.6770   15.116   8.6770   0.0000   0.0000   43.395   13.404  ?   ?       ?      ? 
1 1 1   -8   24   15 o   28.896   12.217   2.4552   8.2380   2.4552   8.2380   0.0000   0.0000   28.896   12.217  ?   ?       ?      ? 
1 1 1   -8   24   16 o   31.243   12.711   4.7739   8.4476   4.7739   8.4476   0.0000   0.0000   31.243   12.711  ?   ?       ?      ? 
1 1 1   -8   24   17 o   36.360   9.4183   3.8970   6.7472  -5.2378   8.4089   20.410   11.306   23.599   10.957   49.121   15.322 -25.52128 18.83659 
1 1 1   -8   24   18 o   34.415   9.8935   6.1195   6.9578   4.5794   8.6441   8.9531   11.725   31.216   12.797   37.614   15.091 -6.397446 19.78692 
1 1 1   -8   24   19 o   41.643   10.322   8.0944   8.6233   27.614   13.147  -6.6443   11.424   56.153   16.310   27.133   12.655 29.02039 20.64408 
1 1 1   -8   24   20 o   46.176   10.672   17.398   7.5097   15.470   9.5132   20.587   12.233   43.501   14.114   48.850   16.012 -5.349003 21.34486 
1 1 1   -8   24   21 o   54.900   11.510   25.861   9.4260   35.389   14.084   18.130   12.686   63.634   16.269   46.165   16.287 17.46875 23.02058 
1 1 1   -8   24   22 o   29.823   9.5431  -3.1112   8.3554   2.9644   12.334  -8.2648   11.359   33.444   14.554   26.202   12.347 7.242548 19.08611 
1 1 1   -8   24   23 o   29.241   9.1663   0.0743   6.9778  -0.7092   8.7866   1.4122   11.482   26.927   11.977   31.556   13.879 -4.629166 18.33268 
1 1 1   -8   24   24 o   29.050   9.1064  -2.1582   6.9366  -6.9120   8.6410   6.4565   11.632   22.909   10.788   35.191   14.674 -12.28141 18.21288 
1 1 1   -8   24   25 o   30.590   9.4293   0.2860   7.1614  -3.8028   8.9749   7.4515   11.881   25.119   11.539   36.061   14.916 -10.94236 18.85867 
1 1 1   -8   24   26 o   45.084   10.643   16.427   7.4795   12.882   9.4508   22.369   12.236   40.008   14.063   50.160   15.979 -10.15188 21.28586 
1 1 1   -8   24   27 o   38.090   10.870   9.9736   8.6632   8.6131   12.967   11.070   11.643   37.440   15.543   38.739   15.200 -1.299309 21.74021 
1 1 1   -8   24   28 o   30.103   9.6367  -1.3230   8.3736   0.1740   12.670  -2.4841   11.158   31.644   14.206   28.562   13.025 3.081320 19.27334 
1 1 1   -8   24   29 o   35.363   10.054   3.8439   8.5755 -10.7299   12.330   17.497   11.935   26.059   12.447   44.667   15.793 -18.60837 20.10817 
1 1 1   -8   24   30 o   35.972   10.698   6.7328   8.8740   11.896   13.396   2.6953   11.846   39.731   16.064   32.212   14.134 7.519466 21.39682 
1 1 1   -8   24   31 o   58.054   11.598   31.705   9.6646   27.062   14.491   35.424   12.970   52.882   17.432   63.226   15.303 -10.34430 23.19634 
1 1 1   -8   24   32 o   45.852   11.045   18.127   9.3225   5.2363   13.531   29.775   12.862   34.888   15.212   56.815   16.016 -21.92696 22.08921 
1 1 1   -8   24   33 o   32.923   10.096   3.9146   8.5471  -1.8636   13.117   8.1779   11.267   30.481   13.983   35.365   14.567 -4.883873 20.19214 
1 1 1   -8   24   34 o   45.567   11.579   19.383   9.0211   21.057   13.968   18.185   11.816   46.651   17.010   44.484   15.716 2.166363 23.15891 
1 1 1   -8   24   35 o   43.780   16.688   18.057   13.742   18.057   13.742   0.0000   0.0000   43.780   16.688  ?   ?       ?      ? 
1 1 1   -8   24   36 o   27.864   13.103  -5.7621   12.671  -5.7621   12.671   0.0000   0.0000   27.864   13.103  ?   ?       ?      ? 
1 1 1   -8   24   37 o   65.000   17.317   42.232   15.528   42.232   15.528   0.0000   0.0000   65.000   17.317  ?   ?       ?      ? 
1 1 1   -8   24   38 o   40.430   16.300   14.980   13.750   14.980   13.750   0.0000   0.0000   40.430   16.300  ?   ?       ?      ? 
1 1 1   -8   24   39 o   46.791   17.076   23.088   14.081   23.088   14.081   0.0000   0.0000   46.791   17.076  ?   ?       ?      ? 
1 1 1   -8   24   40 o   28.885   13.401  -1.9288   12.544  -1.9288   12.544   0.0000   0.0000   28.885   13.401  ?   ?       ?      ? 
1 1 1   -8   24   41 f   41.351   16.470   17.504   13.860   17.504   13.860   0.0000   0.0000   41.351   16.470  ?   ?       ?      ? 
1 1 1   -8   25    1 o   34.385   10.376   5.5742   8.5388   3.3216   11.668   8.1716   12.529   32.377   14.121   36.393   15.207 -4.015610 20.75274 
1 1 1   -8   25    2 o   33.454   9.5704  -0.4080   8.3193   17.380   11.606 -19.2068   11.931   44.318   15.584   22.591   11.114 21.72700 19.14085 
1 1 1   -8   25    3 o   31.128   9.8156   1.0007   8.4009   0.6685   11.795   1.3426   11.968   30.845   13.787   31.410   13.975 -0.5652885 19.63122 
1 1 1   -8   25    4 o   51.470   11.816   24.897   9.4374   25.676   13.222   24.088   13.474   52.365   16.603   50.574   16.816 1.791222 23.63140 
1 1 1   -8   25    5 o   39.112   10.879   11.738   8.5005   9.3198   11.918   14.241   12.127   36.961   15.075   41.264   15.690 -4.303280 21.75835 
1 1 1   -8   25    6 o   34.814   9.9358   1.3155   8.5192 -14.1039   11.666   18.936   12.470   23.887   11.583   45.741   16.147 -21.85437 19.87169 
1 1 1   -8   25    7 o   35.042   14.876   6.5066   12.294   6.5066   12.294   0.0000   0.0000   35.042   14.876  ?   ?       ?      ? 
1 1 1   -8   25    8 o   41.699   15.944   14.705   12.567   14.705   12.567   0.0000   0.0000   41.699   15.944  ?   ?       ?      ? 
1 1 1   -8   25    9 o   32.205   10.011   1.4461   8.5872  -4.3141   11.696   8.1810   12.647   27.987   12.969   36.424   15.254 -8.436525 20.02231 
1 1 1   -8   25   10 o   33.071   10.085   4.3693   8.2301   6.0996   11.891   2.7780   11.403   34.410   14.620   31.732   13.897 2.678185 20.17087 
1 1 1   -8   25   11 o   37.561   10.393   7.8622   8.4891   19.714   12.313  -2.8744   11.720   46.414   16.067   28.708   13.187 17.70566 20.78535 
1 1 1   -8   25   12 o   39.014   10.959   11.750   8.6763   13.833   12.493   9.8106   12.058   40.769   15.815   37.259   15.176 3.510376 21.91897 
1 1 1   -8   25   13 f   26.880   8.7878  -6.3295   7.8654 -15.3266   11.273   2.2045   10.979   22.887   11.163   30.873   13.576 -7.986404 17.57566 
1 1 1   -8   25   14 o   30.807   9.4295  -2.7922   8.0227   12.472   11.935 -15.3772   10.837   39.341   15.403   22.273   10.881 17.06822 18.85893 
1 1 1   -8   25   15 f   45.537   11.241   18.324   8.8454   26.207   12.973   11.476   12.092   52.601   16.414   38.472   15.364 14.12908 22.48278 
1 1 1   -8   25   16 o   38.762   10.335   9.1322   8.6008  -4.4170   12.160   22.697   12.167   28.253   13.137   49.271   15.959 -21.01838 20.67061 
1 1 1   -8   25   17 o   49.761   10.814   22.362   9.4195   6.4414   13.648   36.842   13.016   35.450   15.368   64.072   15.217 -28.62238 21.62772 
1 1 1   -8   25   18 o   33.084   10.176   3.6639   8.5840   9.3025   12.792  -0.9545   11.577   36.837   15.377   29.332   13.333 7.504974 20.35280 
1 1 1   -8   25   19 o   32.292   10.046   3.3751   8.5062   4.8178   12.326   2.0634   11.753   33.387   14.539   31.197   13.866 2.190104 20.09110 
1 1 1   -8   25   20 o   38.401   10.679   9.3832   8.7138   21.497   13.145  -0.1130   11.638   47.058   16.581   29.745   13.461 17.31365 21.35702 
1 1 1   -8   25   21 o   24.366   11.666  -9.6027   10.970   0.0000   0.0000  -9.6027   10.970  ?   ?    24.366   11.666      ?      ? 
1 1 1   -8   25   22 o   23.830   11.508 -11.6597   11.218   0.0000   0.0000 -11.6597   11.218  ?   ?    23.830   11.508      ?      ? 
1 1 1   -8   25   23 o   21.843   10.665 -14.0428   10.370   0.0000   0.0000 -14.0428   10.370  ?   ?    21.843   10.665      ?      ? 
1 1 1   -8   25   24 o   27.177   12.643  -3.7515   11.282   0.0000   0.0000  -3.7515   11.282  ?   ?    27.177   12.643      ?      ? 
1 1 1   -8   25   25 o   34.072   14.378   7.5184   11.374   0.0000   0.0000   7.5184   11.374  ?   ?    34.072   14.378      ?      ? 
1 1 1   -8   25   26 o   23.807   11.397  -8.7683   10.462   0.0000   0.0000  -8.7683   10.462  ?   ?    23.807   11.397      ?      ? 
1 1 1   -8   25   27 o   62.197   16.032   37.721   13.598   0.0000   0.0000   37.721   13.598  ?   ?    62.197   16.032      ?      ? 
1 1 1   -8   25   28 o   29.287   13.147   1.5519   10.850   0.0000   0.0000   1.5519   10.850  ?   ?    29.287   13.147      ?      ? 
1 1 1   -8   25   29 o   42.625   15.749   18.222   12.033   0.0000   0.0000   18.222   12.033  ?   ?    42.625   15.749      ?      ? 
1 1 1   -7    0    1 o  696.839   11.551  3295.30  108.889  3202.25  151.276  3395.34  156.861  686.628   16.279  707.049   16.391 -0.000000 0.000000 
1 1 1   -7    0    2 o  586.200   10.015  2329.62   79.380  2231.70  109.508  2438.04  115.232  573.224   14.117  599.176   14.210 -0.000000 0.000000 
1 1 1   -7    0    3 o  846.873   13.711  4868.59  157.106  4740.88  218.427  5005.46  226.136  835.366   19.318  858.380   19.463 -0.000000 0.000000 
1 1 1   -7    0    4 o  834.558   13.534  4731.44  152.874  4715.25  215.733  4747.77  216.661  833.123   19.131  835.993   19.147 -0.000000 0.000000 
1 1 1   -7    0    5 o  600.266   10.215  2445.51   82.958  2380.98  115.572  2514.11  119.150  592.090   14.423  608.442   14.469 -0.000000 0.000000 
1 1 1   -7    0    6 o  732.879   12.080  3648.25  119.825  3651.55  169.594  3644.97  169.322  733.209   17.090  732.549   17.078 -0.000000 0.000000 
1 1 1   -7    0    7 o  1181.02   18.652  9481.19  298.138  9328.85  417.068  9640.39  426.346  1171.32   26.305  1190.72   26.452 -0.000000 0.000000 
1 1 1   -7    0    8 o  1376.68   21.592 12893.65  402.338 13052.07  573.811 12740.44  564.292  1384.99   30.607  1368.36   30.465 -0.000000 0.000000 
1 1 1   -7    0    9 o  1093.65   17.365  8118.03  256.829  8446.39  372.939  7821.81  354.207  1114.66   24.717  1072.64   24.397 -0.000000 0.000000 
1 1 1   -7    0   10 f  783.000   18.114  4164.94  191.965   0.0000   0.0000  4164.94  191.965  783.000   18.114  783.000   18.114 -0.000000 0.000000 
1 1 1   -7    0   11 o  610.657   14.679  2532.76  121.314   0.0000   0.0000  2532.76  121.314  610.657   14.679  610.657   14.679 -0.000000 0.000000 
1 1 1   -7    0   12 o  942.640   15.136  6036.56  193.084  6157.54  276.694  5921.72  269.568  951.847   21.476  933.433   21.336 -0.000000 0.000000 
1 1 1   -7    0   13 o  1335.14   20.984 12132.34  379.237 12208.83  538.612 12057.14  534.061  1339.31   29.709  1330.96   29.643 -0.000000 0.000000 
1 1 1   -7    0   14 o  997.415   15.950  6762.10  215.310  6856.99  307.369  6670.68  301.700  1004.29   22.611  990.544   22.502 -0.000000 0.000000 
1 1 1   -7    0   15 o  1190.95   18.830  9645.06  303.449  9882.81  436.270  9422.23  422.353  1205.16   26.743  1176.75   26.516 -0.000000 0.000000 
1 1 1   -7    0   16 o  1025.91   16.379  7154.55  227.388  7311.79  326.306  7006.11  317.045  1036.86   23.250  1014.96   23.078 -0.000000 0.000000 
1 1 1   -7    0   17 o  609.541   14.716  2524.28  121.394  2524.28  121.394   0.0000   0.0000  609.541   14.716  609.541   14.716 -0.000000 0.000000 
1 1 1   -7    0   18 o  433.554   11.450  1277.11   67.164  1277.11   67.164   0.0000   0.0000  433.554   11.450  433.554   11.450 -0.000000 0.000000 
1 1 1   -7    0   19 o  453.775   8.3418  1398.16   51.200  1437.07   73.572  1361.62   71.297  459.903   11.823  447.648   11.772 -0.000000 0.000000 
1 1 1   -7    0   20 o  547.212   9.5657  2034.75   70.833  2050.61  100.738  2019.25   99.618  549.322   13.551  545.102   13.504 -0.000000 0.000000 
1 1 1   -7    0   21 o  746.440   12.333  3787.55  124.570  3863.41  178.459  3715.47  173.964  753.730   17.493  739.150   17.389 -0.000000 0.000000 
1 1 1   -7    0   22 o  644.591   10.903  2824.86   95.116  2835.70  134.936  2814.15  134.095  645.820   15.438  643.362   15.401 -0.000000 0.000000 
1 1 1   -7    0   23 o  276.648   6.3714  520.577   23.826  511.125   33.686  530.040   33.704  274.117   9.0910  279.178   8.9294 -0.000000 0.000000 
1 1 1   -7    0   24 o  180.254   5.6928  221.672   13.836  215.628   19.654  227.611   19.482  177.781   8.1976  182.727   7.9012 -0.000000 0.000000 
1 1 1   -7    0   25 o  346.804   7.1134  817.583   33.365  822.135   47.505  813.152   46.872  347.755   10.100  345.854   10.020 -0.000000 0.000000 
1 1 1   -7    0   26 o  384.063   7.5449  1002.64   39.198  993.468   55.394  1011.83   55.476  382.295   10.712  385.830   10.629 -0.000000 0.000000 
1 1 1   -7    0   27 o  377.562   7.4849  968.523   38.218  988.123   54.820  949.989   53.309  381.281   10.629  373.844   10.542 -0.000000 0.000000 
1 1 1   -7    0   28 o  349.814   7.1795  831.847   33.967  826.750   48.180  836.883   47.895  348.740   10.215  350.889   10.091 -0.000000 0.000000 
1 1 1   -7    0   29 o  395.253   10.856  1061.69   58.048   0.0000   0.0000  1061.69   58.048  395.253   10.856  395.253   10.856 -0.000000 0.000000 
1 1 1   -7    0   30 o  1233.40   27.603 10366.74  460.845   0.0000   0.0000 10366.74  460.845  1233.40   27.603  1233.40   27.603 -0.000000 0.000000 
1 1 1   -7    0   31 o  720.045   12.001  3523.04  116.936  3575.33  167.104  3472.86  163.695  725.282   17.023  714.808   16.920 -0.000000 0.000000 
1 1 1   -7    0   32 o  583.007   10.112  2309.38   79.780  2304.47  112.961  2314.26  112.692  582.384   14.333  583.630   14.268 -0.000000 0.000000 
1 1 1   -7    0   33 o  1113.21   17.719  8431.96  266.975  8502.32  379.914  8363.33  375.249  1117.80   25.109  1108.63   25.006 -0.000000 0.000000 
1 1 1   -7    0   34 o  857.783   13.969  5000.71  162.168  5067.13  231.495  4936.70  227.245  863.377   19.810  852.190   19.702 -0.000000 0.000000 
1 1 1   -7    0   35 o  262.128   6.4366  467.284   22.797  473.606   32.620  461.248   31.874  263.861   9.1476  260.394   9.0577 -0.000000 0.000000 
1 1 1   -7    0   36 o  210.202   8.7391  301.027   24.796  301.027   24.796   0.0000   0.0000  210.202   8.7391  210.202   8.7391 -0.000000 0.000000 
1 1 1   -7    0   37 o  738.709   12.289  3708.21  122.865  3683.62  173.329  3733.05  174.188  736.241   17.395  741.177   17.364 -0.000000 0.000000 
1 1 1   -7    0   38 o  574.021   10.027  2238.22   77.886  2199.85  109.334  2277.74  110.979  569.017   14.199  579.025   14.163 -0.000000 0.000000 
1 1 1   -7    0   39 o  168.851   6.1298  194.820   13.936  188.783   19.715  200.849   19.702  166.193   8.8103  171.510   8.5251 -0.000000 0.000000 
1 1 1   -7    0   40 o  240.850   6.3772  394.844   20.718  367.546   29.038  423.146   29.568  232.306   9.2576  249.393   8.7734 -0.000000 0.000000 
1 1 1   -7    0   41 o  236.301   6.3824  380.331   20.357  365.478   28.819  395.122   28.759  231.650   9.2135  240.952   8.8346 -0.000000 0.000000 
1 1 1   -7    0   42 o  346.830   7.3220  817.796   34.340  804.860   48.620  830.672   48.508  344.075   10.449  349.585   10.259 -0.000000 0.000000 
1 1 1   -7    0   43 f  341.305   7.2790  790.365   33.561  827.368   48.854  757.297   46.183  348.869   10.354  333.742   10.233 -0.000000 0.000000 
1 1 1   -7    0   44 o  943.574   15.268  6058.82  194.968  5960.35  273.178  6161.05  278.347  935.754   21.569  951.393   21.615 -0.000000 0.000000 
1 1 1   -7    0   45 o  1005.41   16.183  6883.55  220.215  6801.01  309.371  6968.34  313.534  999.289   22.873  1011.52   22.900 -0.000000 0.000000 
1 1 1   -7    0   46 o  418.802   8.1587  1191.12   46.197  1225.67   66.742  1159.34   64.007  424.631   11.618  412.972   11.457 -0.000000 0.000000 
1 1 1   -7    0   47 o  411.556   11.348  1151.44   63.182   0.0000   0.0000  1151.44   63.182  411.556   11.348  411.556   11.348 -0.000000 0.000000 
1 1 1   -7    0   48 o  222.201   6.4334  336.702   19.283  325.054   27.444  348.060   27.100  218.353   9.3134  226.048   8.8779 -0.000000 0.000000 
1 1 1   -7    0   49 o  441.319   8.4413  1324.01   50.389  1288.17   70.683  1361.05   71.854  435.226   12.005  447.413   11.870 -0.000000 0.000000 
1 1 1   -7    0   50 o  349.874   7.4429  830.991   35.179  870.063   51.208  796.070   48.411  357.660   10.586  342.088   10.465 -0.000000 0.000000 
1 1 1   -7    0   51 o  331.338   7.2836  747.084   32.625  739.460   46.484  754.486   45.800  329.649   10.429  333.026   10.170 -0.000000 0.000000 
1 1 1   -7    0   52 o  172.270   6.5679  203.115   15.226  198.859   21.626  207.298   21.441  170.439   9.4291  174.101   9.1457 -0.000000 0.000000 
1 1 1   -7    0   53 o  163.516   9.3910  183.178   20.652  183.178   20.652   0.0000   0.0000  163.516   9.3910  163.516   9.3910 -0.000000 0.000000 
1 1 1   -7    0   54 o  152.285   6.4571  159.203   13.199  153.498   18.881  164.656   18.460  149.531   9.4030  155.040   8.8522 -0.000000 0.000000 
1 1 1   -7    0   55 o  126.816   6.8053  111.485   11.482  102.191   16.498  120.217   15.991  121.438   10.190  132.195   9.0228 -0.000000 0.000000 
1 1 1   -7    0   56 o  110.505   7.1196   84.702   10.443   89.686   15.260   80.313   14.321  113.620   10.094  107.390   10.043 -0.000000 0.000000 
1 1 1   -7    0   57 o  350.090   7.5160  834.464   35.567  801.087   49.933  868.839   50.674  342.943   10.768  357.238   10.488 -0.000000 0.000000 
1 1 1   -7    0   58 o  123.240   6.9622  105.037   11.446  105.939   16.579  104.215   15.821  123.703   10.042  122.777   9.6458 -0.000000 0.000000 
1 1 1   -7    0   59 o  154.790   6.6493  163.826   13.802  176.137   20.272  153.188   18.844  160.247   9.4096  149.332   9.3974 -0.000000 0.000000 
1 1 1   -7    0   60 o  416.056   8.2714  1179.62   46.544  1152.30   65.660  1207.21   65.988  411.181   11.806  420.931   11.588 -0.000000 0.000000 
1 1 1   -7    0   61 o  380.893   7.8920  986.132   40.600  1041.12   59.332  937.709   55.677  390.866   11.223  370.920   11.099 -0.000000 0.000000 
1 1 1   -7    0   62 o  163.985   6.7643  185.175   14.856  172.823   21.430  196.604   20.613  158.537   10.068  169.433   9.0365 -0.000000 0.000000 
1 1 1   -7    0   63 o  490.529   12.888  1641.71   85.537   0.0000   0.0000  1641.71   85.537  490.529   12.888  490.529   12.888 -0.000000 0.000000 
1 1 1   -7    0   64 o  206.754   6.7915  292.483   18.896  290.032   27.547  294.660   25.969  205.865   9.9268  207.643   9.2712 -0.000000 0.000000 
1 1 1   -7    0   65 o   42.389   19.082   17.794   11.739   0.0000   0.0000   17.794   11.739   42.389   19.082   42.389   19.082 -0.000000 0.000000 
1 1 1   -7    0   66 o  361.453   11.210  891.648   54.790  891.648   54.790   0.0000   0.0000  361.453   11.210  361.453   11.210 -0.000000 0.000000 
1 1 1   -7    0   67 f  202.382   6.9855  280.303   19.045  268.574   26.590  292.658   27.290  197.988   9.9681  206.777   9.7890 -0.000000 0.000000 
1 1 1   -7    0   68 o  319.322   10.710  696.262   46.227  696.262   46.227   0.0000   0.0000  319.322   10.710  319.322   10.710 -0.000000 0.000000 
1 1 1   -7    0   69 o  296.799   7.3501  599.181   29.417  642.728   43.328  561.942   40.068  306.786   10.449  286.813   10.339 -0.000000 0.000000 
1 1 1   -7    0   70 o   42.139   13.981   17.806   8.9257   18.272   13.333   17.428   12.015   42.550   20.251   41.728   19.280 -0.000000 0.000000 
1 1 1   -7    0   71 o  146.897   7.1946  149.488   14.084  133.039   19.954  165.818   19.882  138.535   10.779  155.258   9.5320 -0.000000 0.000000 
1 1 1   -7    0   72 o  276.352   7.1522  522.323   26.686  503.626   37.874  540.755   37.605  271.366   10.333  281.339   9.8914 -0.000000 0.000000 
1 1 1   -7    0   73 o  127.739   7.5495  113.169   12.840  119.996   18.756  107.147   17.615  131.423   10.694  124.055   10.659 -0.000000 0.000000 
1 1 1   -7    0   74 o  175.618   7.0432  211.285   16.603  224.968   24.476  199.624   22.596  180.888   10.056  170.347   9.8641 -0.000000 0.000000 
1 1 1   -7    0   75 o  224.766   7.0342  346.710   21.305  332.873   30.402  360.061   29.864  220.253   10.236  229.279   9.6507 -0.000000 0.000000 
1 1 1   -7    0   76 o  157.880   7.2331  171.092   15.273  190.533   22.595  154.737   20.724  166.220   10.117  149.540   10.340 -0.000000 0.000000 
1 1 1   -7    0   77 o   31.922   18.225   9.2397   12.387   0.0000   0.0000   9.2397   12.387   31.922   18.225   31.922   18.225 -0.000000 0.000000 
1 1 1   -7    0   78 o  178.038   9.8569  218.452   23.615   0.0000   0.0000  218.452   23.615  178.038   9.8569  178.038   9.8569 -0.000000 0.000000 
1 1 1   -7    0   79 o  164.217   7.2414  187.101   15.914  171.684   22.648  202.137   22.366  157.271   10.742  171.164   9.7143 -0.000000 0.000000 
1 1 1   -7    0   80 o  161.653   7.2327  180.818   15.685  186.984   22.778  175.259   21.629  164.266   10.326  159.040   10.130 -0.000000 0.000000 
1 1 1   -7    0   81 o   49.878   13.978   24.221   9.5734   17.979   13.755   30.085   13.332   41.502   20.451   58.254   19.059 -0.000000 0.000000 
1 1 1   -7    0   82 o  181.619   9.9804  228.402   24.394  228.402   24.394   0.0000   0.0000  181.619   9.9804  181.619   9.9804 -0.000000 0.000000 
1 1 1   -7    0   83 o   78.163   11.154   47.629   10.362   53.162   14.508   41.867   14.805   84.445   13.780   71.880   17.544 -0.000000 0.000000 
1 1 1   -7    0   84 o  105.321   8.4334   79.683   11.621   75.725   16.369   83.704   16.500  102.427   12.257  108.214   11.587 -0.000000 0.000000 
1 1 1   -7    0   85 f   41.093   12.069   15.304   8.5633   28.527   12.157   2.2800   12.065   56.789   17.963   25.397   16.122 -0.000000 0.000000 
1 1 1   -7    0   86 o   29.454   12.018   5.9412   8.4203   14.264   12.108  -1.8539   11.718   36.504   18.927   22.403   14.815 -0.000000 0.000000 
1 1 1   -7    0   87 o  109.348   8.1779   86.206   11.705   95.391   16.638   77.207   16.469  115.683   10.832  103.013   12.255 -0.000000 0.000000 
1 1 1   -7    0   88 o  137.216   7.5994  133.720   13.910  127.492   19.811  139.774   19.535  133.803   11.102  140.629   10.381 -0.000000 0.000000 
1 1 1   -7    0   89 f  109.163   8.1400   86.206   11.698   91.318   16.731   81.317   16.362  112.586   11.222  105.740   11.794 -0.000000 0.000000 
1 1 1   -7    0   90 o   50.103   19.021   24.689   12.132   0.0000   0.0000   24.689   12.132   50.103   19.021   50.103   19.021 -0.000000 0.000000 
1 1 1   -7    0   91 o   34.475   18.089   13.153   11.160   0.0000   0.0000   13.153   11.160   34.475   18.089   34.475   18.089 -0.000000 0.000000 
1 1 1   -7    0   92 f   21.624   14.325  -1.3644   11.032   0.0000   0.0000  -1.3644   11.032   21.624   14.325   21.624   14.325 -0.000000 0.000000 
1 1 1   -7    0   93 o   83.024   14.319   53.600   14.672   0.0000   0.0000   53.600   14.672   83.024   14.319   83.024   14.319 -0.000000 0.000000 
1 1 1   -7    1    1 o  895.052   11.713  5371.24  121.908  5310.28  139.764  5565.16  249.261  884.928   11.655  905.175   20.321 -20.24762 23.42578 
1 1 1   -7    1    2 o  858.298   11.272  4877.33  111.475  4772.25  126.961  5231.00  232.915  838.931   11.168  877.664   19.583 -38.73279 22.54379 
1 1 1   -7    1    3 o  1046.28   11.737  7429.10  166.416  7396.71  234.665  7461.87  236.036  1043.98   16.587  1048.57   16.611 -4.585938 23.47469 
1 1 1   -7    1    4 o  1051.41   11.794  7502.08  168.043  7453.06  236.605  7551.97  238.706  1047.95   16.661  1054.87   16.699 -6.926392 23.58883 
1 1 1   -7    1    5 o  875.229   9.9703  5195.99  118.248  5242.76  168.167  5150.25  166.306  879.123   14.116  871.336   14.084 7.787598 19.94064 
1 1 1   -7    1    6 o  898.186   10.204  5472.71  124.198  5439.10  174.937  5506.87  176.356  895.407   14.417  900.966   14.444 -5.559021 20.40817 
1 1 1   -7    1    7 o  940.018   13.033  6014.07  156.873  6044.59  192.831  5954.35  269.757  943.868   15.076  936.167   21.264 7.701782 26.06576 
1 1 1   -7    1    8 o  827.920   11.621  4670.01  123.351  4708.26  151.937  4596.07  211.270  833.135   13.458  822.705   18.950 10.42957 23.24243 
1 1 1   -7    1    9 o  801.481   11.278  4335.45  115.068  4290.42  140.080  4428.88  201.770  795.328   12.997  807.633   18.436 -12.30475 22.55662 
1 1 1   -7    1   10 o  900.383   10.263  5500.29  125.218  5491.10  177.037  5509.49  177.132  899.630   14.522  901.137   14.505 -1.506653 20.52514 
1 1 1   -7    1   11 o  971.553   13.461  6423.05  167.264  6373.90  288.452  6447.95  205.304  968.362   21.981  974.743   15.543 -6.380371 26.92118 
1 1 1   -7    1   12 o  1046.42   11.766  7431.44  166.816  7548.82  238.441  7318.91  233.464  1054.51   16.686  1038.34   16.592 16.17139 23.53109 
1 1 1   -7    1   13 o  1264.46   14.055 10863.19  240.827 10765.30  338.547 10963.45  342.650  1258.70   19.848  1270.22   19.906 -11.52051 28.11039 
1 1 1   -7    1   14 o  1242.96   13.837 10498.13  233.066 10545.62  330.727 10451.29  328.494  1245.75   19.591  1240.17   19.546 5.575439 27.67420 
1 1 1   -7    1   15 o  1304.09   14.485 11561.83  255.977 11605.92  362.967 11518.20  361.053  1306.56   20.500  1301.62   20.469 4.940308 28.96980 
1 1 1   -7    1   16 f  819.266   11.526  4516.33  119.815  4677.23  212.104  4440.92  145.201  829.565   18.868  808.967   13.245 20.59747 23.05250 
1 1 1   -7    1   17 o  524.717   9.2385  1868.44   65.689  1892.52   93.292  1844.77   92.509  528.071   13.037  521.363   13.094 6.707947 18.47697 
1 1 1   -7    1   18 o  577.124   8.6164  2253.39   63.354  2240.09   77.271  2280.66  110.660  574.687   9.9220  579.562   14.090 -4.874756 17.23286 
1 1 1   -7    1   19 o  515.929   6.4499  1805.31   45.095  1809.86   63.847  1800.78   63.699  516.579   9.1206  515.280   9.1224 1.298828 12.89976 
1 1 1   -7    1   20 o  339.522   4.9266  781.386   22.665  767.525   31.796  795.705   32.316  336.462   6.9735  342.583   6.9610 -6.121246 9.853156 
1 1 1   -7    1   21 o  329.222   4.8490  734.778   21.632  724.674   30.403  745.137   30.785  326.930   6.8625  331.514   6.8525 -4.584137 9.697994 
1 1 1   -7    1   22 o  412.316   5.5335  1152.94   30.918  1151.83   43.700  1154.04   43.750  412.119   7.8248  412.513   7.8264 -0.3937988 11.06708 
1 1 1   -7    1   23 o  424.461   5.6478  1221.88   32.485  1210.11   45.718  1233.87   46.168  422.397   7.9869  426.525   7.9875 -4.127319 11.29564 
1 1 1   -7    1   24 o  242.692   4.2907  399.313   14.111  398.083   19.931  400.548   19.981  242.317   6.0698  243.066   6.0662 -0.7492218 8.581446 
1 1 1   -7    1   25 o  558.210   6.8713  2114.43   51.978  2111.88   73.425  2116.99   73.591  557.873   9.7124  558.547   9.7226 -0.6731567 13.74258 
1 1 1   -7    1   26 f  473.195   6.0907  1518.83   39.056  1529.43   55.405  1508.37   55.062  474.835   8.6105  471.555   8.6166 3.280426 12.18139 
1 1 1   -7    1   27 o  606.470   7.3403  2495.96   60.326  2488.11   85.153  2503.88   85.475  605.513   10.378  607.427   10.384 -1.914612 14.68059 
1 1 1   -7    1   28 o  486.611   6.2181  1606.01   41.003  1596.59   57.811  1615.53   58.165  485.177   8.7927  488.046   8.7946 -2.868835 12.43616 
1 1 1   -7    1   29 o  603.684   10.343  2474.65   84.591  2524.26  121.208  2427.53  118.112  609.575   14.673  597.792   14.580 11.78296 20.68524 
1 1 1   -7    1   30 o  507.965   9.0711  1748.90   62.395  1821.51   90.362  1682.72   86.261  518.025   12.872  497.904   12.785 20.12073 18.14213 
1 1 1   -7    1   31 o  792.098   9.1822  4258.09   98.559  4232.34  138.839  4284.25  139.935  789.685   12.974  794.511   12.997 -4.825745 18.36432 
1 1 1   -7    1   32 o  490.163   6.2725  1628.81   41.661  1605.91   58.466  1652.44   59.380  486.662   8.8652  493.663   8.8762 -7.001038 12.54507 
1 1 1   -7    1   33 o  616.295   7.4537  2575.98   62.250  2564.36   87.792  2587.73   88.279  614.898   10.536  617.692   10.546 -2.794312 14.90741 
1 1 1   -7    1   34 o  560.590   6.9302  2130.63   52.642  2164.37   75.087  2098.02   73.823  564.953   9.8078  556.227   9.7939 8.726563 13.86049 
1 1 1   -7    1   35 o  617.311   9.1917  2600.09   72.656  2630.45   89.460  2541.28  124.531  622.779   10.600  611.843   15.019 10.93628 18.38332 
1 1 1   -7    1   36 o  607.151   10.470  2501.91   86.137  2543.62  122.692  2461.38  120.957  612.140   14.791  602.161   14.823 9.979675 20.93999 
1 1 1   -7    1   37 o  861.972   9.9099  5042.01  115.747  5103.16  164.954  4982.69  162.457  867.118   14.038  856.827   13.991 10.29120 19.81981 
1 1 1   -7    1   38 o  1036.84   11.711  7300.22  164.531  7403.52  234.791  7200.55  230.628  1044.04   16.595  1029.64   16.529 14.40051 23.42232 
1 1 1   -7    1   39 o  622.292   7.5398  2626.23   63.577  2661.49   90.575  2591.97   89.264  626.409   10.670  618.175   10.656 8.234680 15.07958 
1 1 1   -7    1   40 o  764.900   8.9366  3969.99   92.626  4015.34  131.898  3925.87  130.105  769.208   12.654  760.593   12.623 8.615295 17.87315 
1 1 1   -7    1   41 o  494.016   6.3556  1654.74   42.544  1679.86   60.629  1630.36   59.715  497.710   8.9892  490.322   8.9870 7.387634 12.71110 
1 1 1   -7    1   42 o  297.626   4.8269  600.454   19.467  592.531   27.383  608.550   27.680  295.641   6.8350  299.611   6.8174 -3.970184 9.653744 
1 1 1   -7    1   43 o  524.359   6.6469  1863.32   47.210  1926.25   67.986  1804.72   65.608  532.900   9.4143  515.817   9.3859 17.08307 13.29378 
1 1 1   -7    1   44 o  549.554   6.8802  2048.80   51.237  2064.41   72.705  2033.40   72.218  551.635   9.7259  547.474   9.7342 4.160583 13.76035 
1 1 1   -7    1   45 o  281.653   4.7736  537.778   18.219  530.775   25.606  544.956   25.927  279.796   6.7533  283.509   6.7484 -3.713257 9.547150 
1 1 1   -7    1   46 o  544.414   8.3673  2002.52   58.141  2041.73  101.365  1983.30   70.977  548.180   13.645  540.648   9.6877 7.531982 16.73459 
1 1 1   -7    1   47 o  789.549   13.054  4231.00  139.390  4513.09  205.234  3989.45  189.912  813.850   18.609  765.248   18.313 48.60168 26.10880 
1 1 1   -7    1   48 f  904.913   12.738  5573.15  147.181  5558.52  180.096  5602.55  255.388  903.998   14.701  905.828   20.805 -1.829590 25.47514 
1 1 1   -7    1   49 o  816.697   9.5056  4535.43  105.202  4536.36  148.733  4534.49  148.823  816.782   13.438  816.611   13.448 0.1708374 19.01124 
1 1 1   -7    1   50 o  417.628   5.7655  1183.41   32.629  1196.55   46.326  1170.48   45.963  419.929   8.1408  415.326   8.1666 4.602905 11.53107 
1 1 1   -7    1   51 o  360.398   5.3311  880.920   26.031  906.641   37.212  856.274   36.426  365.549   7.5120  355.247   7.5666 10.30249 10.66229 
1 1 1   -7    1   52 o  335.828   6.3856  765.227   27.259  764.101   33.213  767.551   47.715  335.575   7.3036  336.080   10.477 -0.5042114 12.77123 
1 1 1   -7    1   53 o  260.478   5.8480  461.966   19.420  456.720   33.675  464.580   23.771  259.278   9.5843  261.678   6.7035 -2.400909 11.69600 
1 1 1   -7    1   54 o  380.466   5.5076  982.296   28.390  1006.12   40.641  959.591   39.677  384.969   7.7903  375.963   7.7877 9.006165 11.01530 
1 1 1   -7    1   55 o  256.382   4.7092  446.047   16.361  442.858   23.043  449.288   23.233  255.459   6.6564  257.306   6.6631 -1.847260 9.418368 
1 1 1   -7    1   56 o  134.131   4.7155  122.101   8.5697  121.835   12.004  122.378   12.238  133.984   6.6116  134.278   6.7253 -0.2944946 9.431006 
1 1 1   -7    1   57 o  296.082   4.9515  595.177   19.866  601.221   28.111  589.147   28.080  297.587   6.9708  294.578   7.0341 3.008759 9.903055 
1 1 1   -7    1   58 o  176.566   4.5920  211.557   10.986  206.984   15.384  216.315   15.692  174.620   6.5014  178.513   6.4867 -3.893433 9.183962 
1 1 1   -7    1   59 o  272.173   4.8393  502.972   17.847  494.530   25.115  511.585   25.367  269.864   6.8675  274.482   6.8199 -4.618042 9.678517 
1 1 1   -7    1   60 o  230.545   5.5958  356.786   16.598  347.430   20.355  375.355   28.676  226.195   6.6406  234.895   9.0086 -8.699509 11.19158 
1 1 1   -7    1   61 o  170.322   5.6238  195.986   12.491  192.781   15.604  201.704   20.842  168.469   6.8349  172.174   8.9327 -3.704758 11.24767 
1 1 1   -7    1   62 o  221.505   6.6802  333.279   20.052   0.0000   0.0000  333.279   20.052  ?   ?   221.505   6.6802      ?      ? 
1 1 1   -7    1   63 o  159.440   5.6836  169.996   11.802  162.849   14.637  183.277   19.953  154.806   6.9773  164.073   8.9739 -9.267731 11.36723 
1 1 1   -7    1   64 o  117.247   6.1966   95.107   9.3864   98.949   11.766   88.384   15.566  120.648   7.1967  113.847   10.090 6.801697 12.39327 
1 1 1   -7    1   65 o  138.183   4.8777  129.783   9.1164  140.697   13.030  119.317   12.760  143.887   6.6825  132.478   7.1073 11.40846 9.755488 
1 1 1   -7    1   66 o  384.966   5.6527  1008.01   29.480  976.977   41.117  1040.83   42.289  378.870   8.0084  391.062   7.9800 -12.19177 11.30548 
1 1 1   -7    1   67 o  303.394   6.3795  627.214   24.559  626.809   29.886  628.057   43.099  303.561   7.2649  303.226   10.489 0.3356323 12.75899 
1 1 1   -7    1   68 o  202.286   6.0382  282.997   15.548  291.561   19.133  266.349   26.677  207.065   6.8187  197.508   9.9671 9.557632 12.07631 
1 1 1   -7    1   69 o  194.028   6.9211  256.076   18.198   0.0000   0.0000  256.076   18.198  ?   ?   194.028   6.9211      ?      ? 
1 1 1   -7    1   70 o  237.036   6.9400  383.176   22.273  368.096   30.729  399.867   32.329  232.140   9.7682  241.932   9.8609 -9.792267 13.88002 
1 1 1   -7    1   71 o  204.644   5.9782  287.422   15.546  291.003   19.007  280.186   27.018  206.814   6.7820  202.475   9.8468 4.339508 11.95641 
1 1 1   -7    1   72 o  185.735   4.8897  234.700   12.304  228.675   17.198  241.018   17.611  183.293   6.9239  188.177   6.9063 -4.883987 9.779401 
1 1 1   -7    1   73 o  273.338   5.0416  508.852   18.674  507.151   26.285  510.586   26.535  272.881   7.1080  273.795   7.1517 -0.9140320 10.08321 
1 1 1   -7    1   74 o  214.456   4.9043  312.914   14.239  294.389   19.798  332.764   20.494  207.873   7.0282  221.038   6.8419 -13.16537 9.808559 
1 1 1   -7    1   75 o  123.004   5.4615  103.225   9.1018  106.130   12.996  100.428   12.752  124.706   7.6900  121.302   7.7573 3.403496 10.92299 
1 1 1   -7    1   76 o   75.943   7.8142   41.605   7.4503   27.339   10.578   55.651   10.496   61.705   13.057   90.180   8.5885 -28.47526 15.62845 
1 1 1   -7    1   77 o  165.052   5.9488  180.025   12.670  207.758   22.146  166.529   15.448  173.957   9.3943  156.148   7.3007 17.80864 11.89763 
1 1 1   -7    1   78 o  195.646   6.0012  266.341   15.028  274.892   18.613  250.327   25.471  200.633   6.8460  190.660   9.8585 9.972397 12.00239 
1 1 1   -7    1   79 o   99.213   5.9691   67.826   7.9927   73.775   11.205   61.665   11.404  103.729   7.9717   94.698   8.8866 9.030563 11.93811 
1 1 1   -7    1   80 o  120.815   5.4363  100.234   8.8889  105.556   12.533   94.848   12.609  124.090   7.4532  117.540   7.9159 6.549835 10.87255 
1 1 1   -7    1   81 o   62.506   10.006   27.764   7.8536   25.989   9.5108   31.568   13.924   59.904   12.132   65.109   15.915 -5.205135 20.01201 
1 1 1   -7    1   82 o  133.596   6.4437  119.016   11.087  109.739   13.485  138.363   19.475  126.226   7.8836  140.967   10.195 -14.74202 12.88731 
1 1 1   -7    1   83 o  115.213   6.7712   93.538   10.004   88.677   16.902   96.159   12.411  112.353   11.101  118.074   7.7566 -5.720642 13.54240 
1 1 1   -7    1   84 o   78.727   6.8051   43.468   7.1523   52.956   10.279   34.562   9.9585   87.310   8.6876   70.143   10.477 17.16687 13.61016 
1 1 1   -7    1   85 o   55.745   8.6269   23.007   6.3446   25.693   9.0262   20.384   8.9201   59.183   11.669   52.308   12.709 6.875313 17.25388 
1 1 1   -7    1   86 o   84.594   6.2467   50.049   7.1555   52.782   10.222   47.424   10.020   86.904   8.6796   82.285   8.9862 4.619003 12.49345 
1 1 1   -7    1   87 o   41.328   8.3891   10.772   5.8726   22.544   8.5481   0.2491   8.0816   55.002   11.821   27.654   11.907 27.34845 16.77821 
1 1 1   -7    1   88 o   95.365   5.9204   63.849   7.6505   62.976   10.815   64.723   10.823   94.690   8.4287   96.039   8.3163 -1.349197 11.84078 
1 1 1   -7    1   89 o   56.195   10.048   24.063   7.3105   26.465   12.824   22.906   8.8979   57.464   15.920   54.926   12.264 2.537746 20.09617 
1 1 1   -7    1   90 o   64.498   10.650   33.127   9.1847   38.451   13.121   28.013   12.861   70.139   14.290   58.856   15.795 11.28333 21.30015 
1 1 1   -7    1   91 o   56.834   10.828   26.135   8.5632   29.186   12.188   23.161   12.034   60.262   14.988   53.406   15.631 6.855560 21.65515 
1 1 1   -7    1   92 o   64.742   10.499   33.745   9.0161   33.150   12.797   34.332   12.705   64.052   15.006   65.431   14.688 -1.379150 20.99838 
1 1 1   -7    1   93 o   47.979   16.021   18.730   12.226   18.730   12.226   0.0000   0.0000   47.979   16.021  ?   ?       ?      ? 
1 1 1   -7    2    1 o  466.539   7.3167  1474.94   43.493  1478.34   75.782  1473.27   53.110  466.885   11.978  466.192   8.4068 0.6925354 14.63347 
1 1 1   -7    2    2 o  603.730   7.2348  2471.31   59.190  2467.75   83.629  2474.88   83.787  603.294   10.229  604.165   10.234 -0.8706055 14.46956 
1 1 1   -7    2    3 o  199.341   4.3975  270.176   10.456  271.142   12.188  267.483   20.348  200.030   4.4964  198.652   7.5589 1.377502 8.795090 
1 1 1   -7    2    4 o  206.618   4.4017  285.288   10.848  280.937   12.587  297.853   21.389  203.610   4.5618  209.627   7.5294 -6.016434 8.803472 
1 1 1   -7    2    5 o  603.023   7.2316  2465.34   59.093  2487.68   84.020  2443.48   83.127  605.726   10.236  600.320   10.218 5.405334 14.46323 
1 1 1   -7    2    6 o  484.571   6.1108  1591.76   40.127  1594.68   56.805  1588.84   56.693  485.016   8.6426  484.127   8.6414 0.8887024 12.22165 
1 1 1   -7    2    7 o  475.733   6.0325  1534.03   38.888  1552.87   55.362  1515.67   54.638  478.616   8.5357  472.849   8.5268 5.766724 12.06503 
1 1 1   -7    2    8 o  482.313   6.0965  1576.70   39.843  1599.94   56.799  1554.20   55.905  485.810   8.6276  478.816   8.6159 6.993591 12.19299 
1 1 1   -7    2    9 f  492.389   6.1919  1643.49   41.314  1658.46   58.721  1628.82   58.138  494.609   8.7608  490.168   8.7525 4.440308 12.38381 
1 1 1   -7    2   10 o  362.827   6.2130  884.083   28.600  916.187   50.654  869.058   34.653  367.583   10.169  358.071   7.1414 9.512421 12.42601 
1 1 1   -7    2   11 o  546.811   8.2355  2012.37   57.175  2072.41  100.967  1984.02   69.370  552.676   13.481  540.945   9.4631 11.73077 16.47095 
1 1 1   -7    2   12 o  804.441   9.2598  4389.35  100.929  4460.73  144.206  4320.81  141.310  810.848   13.124  798.034   13.067 12.81366 18.51959 
1 1 1   -7    2   13 o  596.513   7.1966  2412.39   58.167  2373.36   81.471  2452.97   83.073  591.594   10.162  601.433   10.193 -9.838684 14.39329 
1 1 1   -7    2   14 o  606.998   8.9212  2492.17   69.123  2522.81  120.286  2477.06   84.462  609.637   14.560  604.358   10.313 5.279236 17.84236 
1 1 1   -7    2   15 o  905.075   12.609  5549.51  145.497  5617.36  253.767  5516.28  177.585  908.739   20.607  901.411   14.538 7.327759 25.21891 
1 1 1   -7    2   16 o  655.702   7.7938  2913.60   69.213  3012.19   99.977  2822.86   95.914  666.339   11.072  645.066   10.972 21.27325 15.58769 
1 1 1   -7    2   17 o  474.489   7.4574  1526.44   45.114  1524.65   55.126  1530.06   78.501  474.168   8.5791  474.811   12.200 -0.6429138 14.91478 
1 1 1   -7    2   18 o  520.569   7.9892  1841.73   53.087  1847.16   65.012  1830.86   91.966  521.859   9.1930  519.279   13.069 2.579285 15.97843 
1 1 1   -7    2   19 o  478.004   6.1088  1549.61   39.569  1538.56   55.739  1560.83   56.183  476.287   8.6359  479.721   8.6424 -3.433655 12.21755 
1 1 1   -7    2   20 o  419.915   5.5982  1195.79   31.856  1192.82   44.982  1198.78   45.121  419.392   7.9146  420.437   7.9195 -1.044708 11.19641 
1 1 1   -7    2   21 o  594.274   7.2047  2396.27   58.017  2366.42   81.451  2427.01   82.659  590.518   10.178  598.029   10.200 -7.510498 14.40950 
1 1 1   -7    2   22 o  456.871   5.9391  1415.33   36.764  1385.92   51.416  1446.10   52.588  452.016   8.3938  461.726   8.4046 -9.710114 11.87828 
1 1 1   -7    2   23 o  190.620   4.0515  246.261   10.463  253.479   14.922  239.279   14.676  193.367   5.6945  187.872   5.7647 5.495667 8.103000 
1 1 1   -7    2   24 o  298.921   4.6647  605.748   18.894  595.222   26.537  616.569   26.907  296.288   6.6094  301.555   6.5844 -5.267029 9.329437 
1 1 1   -7    2   25 o  383.842   5.3192  998.413   27.658  966.496   38.528  1032.35   39.728  377.517   7.5311  390.167   7.5139 -12.65009 10.63844 
1 1 1   -7    2   26 o  504.625   6.3787  1727.24   43.618  1708.98   61.307  1745.96   62.069  501.925   9.0134  507.325   9.0283 -5.400421 12.75745 
1 1 1   -7    2   27 o  778.524   9.0410  4115.33   95.380  4151.52  135.632  4079.93  134.154  781.908   12.800  775.141   12.771 6.766968 18.08209 
1 1 1   -7    2   28 o  724.961   10.440  3583.43   96.920  3530.82  166.426  3610.42  119.222  720.601   17.043  729.320   12.063 -8.718994 20.88011 
1 1 1   -7    2   29 o  925.463   14.934  5831.20  187.282  5767.61  263.336  5896.28  266.405  920.360   21.114  930.567   21.126 -10.20703 29.86796 
1 1 1   -7    2   30 o  868.255   9.9655  5118.08  117.254  5141.81  166.204  5094.57  165.442  870.259   14.093  866.252   14.094 4.006531 19.93101 
1 1 1   -7    2   31 o  491.498   6.2926  1637.99   41.911  1635.81   59.247  1640.19   59.296  491.169   8.9013  491.826   8.8967 -0.6569519 12.58512 
1 1 1   -7    2   32 o  637.274   7.6591  2753.22   66.127  2818.82   94.802  2691.06   92.283  644.662   10.852  629.886   10.811 14.77631 15.31817 
1 1 1   -7    2   33 o  611.821   7.4192  2538.50   61.510  2517.28   86.515  2560.20   87.471  609.237   10.479  614.406   10.506 -5.169739 14.83846 
1 1 1   -7    2   34 o  739.944   10.663  3729.16  100.883  3754.32  123.882  3679.63  173.826  743.898   12.289  735.989   17.429 7.908752 21.32532 
1 1 1   -7    2   35 o  521.339   8.0977  1838.45   53.754  1828.62   65.532  1858.67   93.978  519.312   9.3120  523.366   13.251 -4.054688 16.19546 
1 1 1   -7    2   36 o  145.616   5.1058  140.196   9.5953  155.153   16.648  132.756   11.742  151.280   8.1207  139.952   6.1912 11.32767 10.21160 
1 1 1   -7    2   37 o  435.355   5.8308  1284.18   34.389  1248.26   47.946  1322.24   49.351  429.089   8.2457  441.622   8.2463 -12.53275 11.66163 
1 1 1   -7    2   38 o  335.871   5.0609  764.702   23.034  771.206   32.641  758.251   32.510  337.294   7.1413  334.448   7.1730 2.845825 10.12177 
1 1 1   -7    2   39 o  252.318   4.5529  431.541   15.568  429.919   21.999  433.167   22.033  251.844   6.4459  252.793   6.4317 -0.9497070 9.105868 
1 1 1   -7    2   40 o  465.356   6.1122  1466.71   38.522  1526.19   55.602  1411.80   53.421  474.420   8.6486  456.293   8.6394 18.12631 12.22446 
1 1 1   -7    2   41 o  722.165   8.5275  3538.01   83.438  3609.74  119.396  3469.55  116.649  729.315   12.081  715.016   12.039 14.29846 17.05508 
1 1 1   -7    2   42 o  612.633   7.4655  2545.67   61.970  2591.23   88.535  2501.91   86.769  618.004   10.572  607.261   10.544 10.74335 14.93102 
1 1 1   -7    2   43 o  564.968   9.9308  2165.43   76.031  2165.43   76.031   0.0000   0.0000  564.968   9.9308  ?   ?       ?      ? 
1 1 1   -7    2   44 o  912.675   10.457  5660.36  129.325  5708.14  183.839  5613.55  181.963  916.485   14.802  908.865   14.774 7.620239 20.91369 
1 1 1   -7    2   45 o  373.303   10.732  945.779   54.291  945.779   54.291   0.0000   0.0000  373.303   10.732  ?   ?       ?      ? 
1 1 1   -7    2   46 o  523.036   8.1424  1858.49   54.506  1854.17   94.002  1860.68   66.901  522.400   13.279  523.672   9.4274 -1.272095 16.28486 
1 1 1   -7    2   47 f  580.852   8.7648  2276.89   64.886  2248.11   79.044  2336.35  113.615  575.512   10.135  586.192   14.303 -10.67999 17.52953 
1 1 1   -7    2   48 o  478.963   7.6576  1563.65   47.046  1576.18   57.978  1539.49   80.497  481.955   8.8772  475.970   12.480 5.984863 15.31528 
1 1 1   -7    2   49 o  493.451   6.4094  1651.80   42.848  1613.31   59.789  1692.45   61.438  487.545   9.0494  499.357   9.0791 -11.81189 12.81880 
1 1 1   -7    2   50 o  417.200   5.7688  1180.95   32.612  1165.71   45.760  1196.68   46.489  414.466   8.1474  419.934   8.1692 -5.468384 11.53759 
1 1 1   -7    2   51 o  309.722   6.1943  647.307   24.235  640.497   29.296  662.072   43.137  307.263   7.0358  312.181   10.197 -4.917664 12.38859 
1 1 1   -7    2   52 o  178.186   5.7024  214.877   12.732  213.842   15.307  217.200   22.937  177.552   6.3619  178.819   9.4654 -1.266556 11.40472 
1 1 1   -7    2   53 o  267.048   5.8374  478.099   19.895  502.255   34.935  466.504   24.204  271.889   9.4816  262.207   6.8116 9.681915 11.67471 
1 1 1   -7    2   54 o  557.694   8.6254  2125.24   61.587  2094.92  105.779  2140.80   75.751  554.216   14.084  561.172   9.9611 -6.956299 17.25089 
1 1 1   -7    2   55 o  152.791   4.6908  158.105   9.6985  146.852   13.410  170.445   14.043  147.099   6.7274  158.482   6.5387 -11.38353 9.381530 
1 1 1   -7    2   56 f  511.138   8.1085  1803.67   53.453  1863.10   66.732  1697.25   89.291  523.475   9.4071  498.802   13.210 24.67319 16.21706 
1 1 1   -7    2   57 o  319.699   7.2092  695.458   31.225  698.511   44.693  692.547   43.644  320.371   10.295  319.027   10.095 1.343506 14.41840 
1 1 1   -7    2   58 o  322.964   6.3373  710.592   26.106  705.355   45.263  713.202   31.958  321.875   10.377  324.054   7.2773 -2.179626 12.67451 
1 1 1   -7    2   59 o  225.584   4.6734  345.512   14.286  347.076   20.275  343.969   20.134  226.091   6.6174  225.078   6.6010 1.013275 9.346844 
1 1 1   -7    2   60 o  291.561   4.9820  577.131   19.677  598.675   28.164  556.586   27.503  296.879   7.0006  286.244   7.0903 10.63522 9.963992 
1 1 1   -7    2   61 o  216.122   5.6682  315.969   15.744  322.665   27.073  312.548   19.353  217.727   9.1757  214.517   6.6574 3.210297 11.33641 
1 1 1   -7    2   62 o  221.846   5.7760  340.420   16.495  315.910   27.559  354.102   20.591  215.376   9.4424  228.316   6.6551 -12.94034 11.55198 
1 1 1   -7    2   63 o  330.544   5.2577  742.130   23.537  777.796   33.812  708.596   32.785  338.251   7.3764  322.836   7.4940 15.41452 10.51530 
1 1 1   -7    2   64 o  221.118   5.6391  329.216   16.095  321.668   19.825  343.810   27.567  217.569   6.7241  224.668   9.0546 -7.098663 11.27825 
1 1 1   -7    2   65 o  163.690   4.7641  181.986   10.561  172.685   14.744  191.785   15.133  159.392   6.8261  167.989   6.6477 -8.597122 9.528236 
1 1 1   -7    2   66 o  303.590   6.3612  632.154   24.527  639.968   29.973  616.317   42.672  306.759   7.2103  300.420   10.482 6.339691 12.72233 
1 1 1   -7    2   67 o  223.353   5.9664  339.114   16.897  337.817   20.531  341.837   29.746  222.901   6.7971  223.805   9.8077 -0.9040375 11.93280 
1 1 1   -7    2   68 o  258.888   4.9323  455.851   17.304  452.666   24.390  459.080   24.553  257.977   6.9766  259.799   6.9741 -1.821655 9.864628 
1 1 1   -7    2   69 o  335.851   6.6692  774.973   28.538  754.656   49.320  785.200   34.991  332.091   10.959  339.610   7.6030 -7.519012 13.33831 
1 1 1   -7    2   70 o  255.116   4.9791  442.757   17.211  431.859   24.134  454.034   24.550  251.918   7.0695  258.314   7.0133 -6.395691 9.958107 
1 1 1   -7    2   71 o  254.432   4.9673  440.477   17.123  427.648   24.013  453.748   24.423  250.657   7.0695  258.208   6.9799 -7.550583 9.934573 
1 1 1   -7    2   72 o  111.486   5.6671   84.739   8.5616   84.372   12.055   85.112   12.161  111.244   7.9969  111.728   8.0321 -0.4835358 11.33427 
1 1 1   -7    2   73 o  171.360   5.8504  197.523   12.967  209.918   22.192  191.097   15.979  175.215   9.3463  167.505   7.0395 7.710464 11.70077 
1 1 1   -7    2   74 o  151.954   6.2915  160.385   12.362  149.019   20.449  166.930   15.519  147.424   10.236  156.484   7.3184 -9.060364 12.58299 
1 1 1   -7    2   75 o  226.610   6.0870  350.914   17.571  350.415   21.461  351.930   30.604  226.721   6.9850  226.499   9.9707 0.2227478 12.17396 
1 1 1   -7    2   76 o  145.285   6.2910  146.195   11.798  139.150   19.721  150.121   14.723  142.274   10.229  148.296   7.3265 -6.021194 12.58197 
1 1 1   -7    2   77 o  131.037   5.2814  117.308   9.3698  110.531   13.115  124.373   13.391  127.151   7.6113  134.923   7.3242 -7.771454 10.56289 
1 1 1   -7    2   78 o  134.383   6.6414  130.062   11.177  142.040   13.831  107.508   18.978  144.161   7.0796  124.605   11.239 19.55624 13.28288 
1 1 1   -7    2   79 o   84.500   7.7520   47.192   8.4371   42.559   10.233   57.024   14.909   78.551   9.6135   90.448   12.164 -11.89638 15.50398 
1 1 1   -7    2   80 o  167.531   6.1002  190.925   12.955  186.762   15.678  199.885   23.000  165.142   7.0058  169.920   9.9883 -4.777664 12.20031 
1 1 1   -7    2   81 o  126.610   6.5753  111.526   10.522  112.680   12.807  109.130   18.457  128.108   7.3772  125.111   10.887 2.997406 13.15066 
1 1 1   -7    2   82 o  109.569   5.5883   82.604   8.2827   75.945   11.487   89.816   11.954  104.935   8.0779  114.202   7.7243 -9.267113 11.17659 
1 1 1   -7    2   83 o  186.258   6.0928  240.716   14.490  239.548   25.032  241.304   17.770  185.210   9.9737  187.306   7.0010 -2.095535 12.18558 
1 1 1   -7    2   84 o   60.352   8.3281   26.787   6.6168   17.616   9.2794   36.275   9.4379   48.688   13.561   72.017   9.6707 -23.32836 16.65629 
1 1 1   -7    2   85 o  110.233   5.5566   84.303   8.2965   81.069   11.695   87.579   11.771  108.062   7.9865  112.403   7.7278 -4.340828 11.11316 
1 1 1   -7    2   86 o  102.607   5.6997   73.338   7.9238   74.543   11.173   72.119   11.239  103.487   7.9672  101.727   8.1530 1.759750 11.39940 
1 1 1   -7    2   87 o   64.180   7.5028   29.770   6.3670   27.062   8.9088   32.597   9.1031   60.571   11.268   67.789   9.9094 -7.218468 15.00565 
1 1 1   -7    2   88 o   46.222   9.6649   13.113   6.7911   27.766   11.533   5.3352   8.4025   59.758   14.409   32.686   12.885 27.07240 19.32985 
1 1 1   -7    2   89 o   86.974   7.4178   55.112   8.1351   52.646   14.156   56.329   9.9405   84.492   12.363   89.456   8.2001 -4.963051 14.83552 
1 1 1   -7    2   90 o   54.188   9.9639   22.225   7.0290   26.149   12.406   20.369   8.5303   56.883   15.618   51.494   12.378 5.389736 19.92770 
1 1 1   -7    2   91 o   57.642   10.624   26.349   8.9157   14.719   12.228   39.548   13.027   44.281   15.950   71.002   14.037 -26.72150 21.24720 
1 1 1   -7    2   92 o   74.716   14.100   44.030   13.753   44.030   13.753   0.0000   0.0000   74.716   14.100  ?   ?       ?      ? 
1 1 1   -7    2   93 o   84.633   12.732   54.439   14.603   54.439   14.603   0.0000   0.0000   84.633   12.732  ?   ?       ?      ? 
1 1 1   -7    2   94 o   44.188   16.039   15.266   12.398   15.266   12.398   0.0000   0.0000   44.188   16.039  ?   ?       ?      ? 
1 1 1   -7    3    1 o  771.884   8.9270  4037.85   93.325  4171.49  134.745  3914.63  129.381  784.142   12.680  759.625   12.569 24.51678 17.85398 
1 1 1   -7    3    2 o  718.128   8.3822  3495.42   81.539  3594.59  117.356  3402.87  113.374  727.965   11.896  708.291   11.812 19.67413 16.76433 
1 1 1   -7    3    3 o  413.959   5.4835  1161.63   30.761  1161.37   43.503  1161.89   43.502  413.913   7.7559  414.005   7.7539 -0.9289551E-01 10.96705 
1 1 1   -7    3    4 o  411.728   6.2292  1134.31   30.148  1119.54   34.731  1179.45   60.721  406.422   6.3061  417.034   10.745 -10.61197 12.45844 
1 1 1   -7    3    5 o  733.842   9.8571  3696.87   85.834  3743.66  100.013  3566.06  167.228  743.029   9.9327  724.654   17.029 18.37537 19.71430 
1 1 1   -7    3    6 o  790.458   10.481  4181.07   96.465  4125.31  110.609  4358.23  197.154  779.947   10.465  800.969   18.164 -21.02197 20.96285 
1 1 1   -7    3    7 f  672.127   7.9299  3063.58   72.222  3100.19  102.912  3028.05  101.380  676.082   11.233  668.172   11.196 7.909973 15.85984 
1 1 1   -7    3    8 o  707.400   8.2750  3393.69   79.317  3343.61  111.147  3445.66  113.224  702.085   11.682  712.715   11.723 -10.63019 16.54999 
1 1 1   -7    3    9 o  779.140   11.014  4117.17  109.622  4135.02  190.091  4108.28  134.182  780.139   17.981  778.140   12.725 1.999023 22.02790 
1 1 1   -7    3   10 o  685.455   11.405  3187.15  105.938   0.0000   0.0000  3187.15  105.938  ?   ?   685.455   11.405      ?      ? 
1 1 1   -7    3   11 o  369.421   6.2410  922.271   29.532  934.729   51.053  916.006   36.203  371.247   10.148  367.594   7.2677 3.652954 12.48190 
1 1 1   -7    3   12 o  673.756   9.7071  3052.42   83.105  3164.60  146.746  2999.45  100.832  682.577   15.865  664.936   11.190 17.64081 19.41411 
1 1 1   -7    3   13 o  768.615   8.9082  4007.52   92.762  4097.00  133.036  3922.85  129.409  776.957   12.635  760.272   12.561 16.68475 17.81640 
1 1 1   -7    3   14 o  369.043   5.1386  923.235   25.697  911.680   36.126  935.069   36.559  366.706   7.2698  371.380   7.2643 -4.674194 10.27717 
1 1 1   -7    3   15 o  158.442   5.4359  170.156   11.671   0.0000   0.0000  170.156   11.671  ?   ?   158.442   5.4359      ?      ? 
1 1 1   -7    3   16 o  252.046   5.3160  426.769   16.958  419.809   20.504  441.834   30.168  248.856   6.0800  255.237   8.7220 -6.381104 10.63198 
1 1 1   -7    3   17 o  502.261   7.7850  1705.07   49.701  1692.01   60.461  1732.29   87.283  499.448   8.9331  505.075   12.752 -5.627197 15.56991 
1 1 1   -7    3   18 o  699.285   8.2434  3319.39   78.112  3284.98  109.728  3354.75  111.220  695.613   11.640  702.957   11.675 -7.344482 16.48680 
1 1 1   -7    3   19 f  529.437   6.6034  1901.67   47.376  1915.61   67.231  1887.93   66.770  531.364   9.3367  527.510   9.3404 3.853760 13.20675 
1 1 1   -7    3   20 o  401.025   5.4564  1090.60   29.651  1103.35   42.136  1078.09   41.733  403.348   7.7090  398.703   7.7241 4.645447 10.91280 
1 1 1   -7    3   21 o  467.740   6.0308  1484.09   38.226  1480.76   53.976  1487.43   54.145  467.215   8.5252  468.266   8.5327 -1.050812 12.06170 
1 1 1   -7    3   22 o  399.753   5.4456  1083.70   29.499  1073.60   41.497  1094.02   41.941  397.871   7.6965  401.635   7.7059 -3.764862 10.89114 
1 1 1   -7    3   23 o  351.965   5.0713  839.463   24.180  813.936   33.705  866.532   34.708  346.455   7.1790  357.474   7.1647 -11.01923 10.14254 
1 1 1   -7    3   24 o  577.661   7.0696  2264.03   55.338  2237.40   77.729  2291.40   78.801  574.218   9.9891  581.105   10.007 -6.886902 14.13922 
1 1 1   -7    3   25 o  760.642   8.8690  3928.17   91.413  3976.42  130.184  3881.24  128.389  765.248   12.554  756.036   12.532 9.211548 17.73795 
1 1 1   -7    3   26 o  523.650   6.5692  1859.53   46.610  1830.50   65.278  1889.72   66.574  519.483   9.2728  527.817   9.3076 -8.333679 13.13838 
1 1 1   -7    3   27 o  564.544   8.5530  2172.83   61.821  2133.33  106.107  2193.13   76.066  560.482   13.970  568.606   9.8718 -8.123108 17.10597 
1 1 1   -7    3   28 o  1018.40   16.318  7064.10  225.155  6919.81  314.736  7215.35  322.231  1007.76   23.046  1029.04   23.107 -21.28076 32.63579 
1 1 1   -7    3   29 o  703.804   8.3239  3357.32   79.344  3256.68  109.996  3466.49  114.563  692.823   11.716  714.784   11.827 -21.96051 16.64771 
1 1 1   -7    3   30 o  829.790   9.5714  4671.88  107.612  4597.33  150.618  4749.63  153.805  823.032   13.504  836.548   13.567 -13.51532 19.14279 
1 1 1   -7    3   31 o  432.998   5.7957  1270.79   34.003  1250.31   47.634  1292.06   48.554  429.443   8.1852  436.554   8.2074 -7.111359 11.59132 
1 1 1   -7    3   32 o  248.961   4.4764  420.111   15.098  434.082   21.440  406.370   21.264  253.068   6.2517  244.855   6.4084 8.213272 8.952741 
1 1 1   -7    3   33 o  653.976   9.6430  2917.66   80.667  2949.39   99.199  2855.71  138.599  659.425   11.101  648.526   15.771 10.89838 19.28592 
1 1 1   -7    3   34 o  812.817   11.551  4470.54  119.456  4440.41  145.491  4532.88  209.261  808.937   13.272  816.696   18.908 -7.759644 23.10106 
1 1 1   -7    3   35 o  750.380   10.747  3814.71  102.946  3846.42  178.942  3799.02  125.859  752.461   17.549  748.299   12.412 4.162598 21.49431 
1 1 1   -7    3   36 o  449.460   7.2716  1370.83   41.854  1367.63   72.104  1372.46   51.399  448.996   11.851  449.924   8.4302 -0.9277344 14.54312 
1 1 1   -7    3   37 o  623.295   7.5499  2635.05   63.770  2640.64   90.214  2629.47   90.156  623.956   10.669  622.634   10.685 1.322571 15.09988 
1 1 1   -7    3   38 o  863.947   9.9393  5066.30  116.357  5010.81  163.351  5123.46  165.783  859.148   14.030  868.746   14.082 -9.597473 19.87856 
1 1 1   -7    3   39 o  612.309   7.4615  2543.09   61.910  2524.83   87.111  2561.73   88.004  610.088   10.537  614.529   10.568 -4.440552 14.92291 
1 1 1   -7    3   40 o  685.144   8.1625  3185.29   75.786  3188.89  107.213  3181.70  107.141  685.531   11.541  684.758   11.546 0.7733765 16.32494 
1 1 1   -7    3   41 o  733.903   8.6487  3655.88   86.014  3657.80  121.629  3653.96  121.656  734.097   12.226  733.710   12.236 0.3869629 17.29732 
1 1 1   -7    3   42 o  735.433   8.6684  3671.40   86.386  3643.09  121.513  3700.34  122.836  732.568   12.240  738.297   12.278 -5.729370 17.33672 
1 1 1   -7    3   43 o  415.062   5.7184  1167.96   32.159  1197.72   45.907  1139.29   45.063  420.252   8.0609  409.872   8.1132 10.38049 11.43689 
1 1 1   -7    3   44 o  362.693   6.5307  899.628   30.414  869.471   51.683  915.602   37.616  357.933   10.655  367.453   7.5542 -9.519440 13.06144 
1 1 1   -7    3   45 o  598.887   14.712  2438.28  119.402  2438.28  119.402   0.0000   0.0000  598.887   14.712  ?   ?       ?      ? 
1 1 1   -7    3   46 o  411.753   5.7106  1149.92   31.862  1168.54   45.259  1131.62   44.862  415.060   8.0467  408.447   8.1052 6.613373 11.42119 
1 1 1   -7    3   47 o  469.212   7.5222  1483.74   45.022  1462.48   54.867  1527.57   78.769  464.264   8.7210  474.159   12.259 -9.895569 15.04438 
1 1 1   -7    3   48 o  383.216   6.7065  1009.00   33.078  1037.33   41.134  957.155   55.647  391.037   7.7624  375.395   10.939 15.64206 13.41309 
1 1 1   -7    3   49 o  207.522   4.5210  292.060   12.713  291.727   17.889  292.401   18.072  207.403   6.3647  207.641   6.4226 -0.2375946 9.042070 
1 1 1   -7    3   50 o  295.999   6.1421  596.665   22.987  600.102   27.922  589.434   40.495  297.426   6.9277  294.571   10.144 2.855042 12.28420 
1 1 1   -7    3   51 o  259.214   4.7803  456.051   16.784  467.721   23.600  444.107   23.875  262.577   6.6324  255.851   6.8860 6.726044 9.560600 
1 1 1   -7    3   52 o  207.792   5.4771  291.348   14.739  287.295   18.261  298.924   24.966  205.783   6.5483  209.800   8.7814 -4.016724 10.95417 
1 1 1   -7    3   53 o  316.453   6.2224  680.842   25.268  678.354   43.327  682.124   31.106  315.886   10.122  317.019   7.2406 -1.133392 12.44475 
1 1 1   -7    3   54 o  500.542   8.0166  1718.52   51.505  1663.34   87.587  1747.68   63.679  493.978   13.084  507.105   9.2665 -13.12756 16.03326 
1 1 1   -7    3   55 o  515.643   6.6512  1807.63   46.476  1814.72   65.775  1800.56   65.679  516.655   9.3946  514.630   9.4178 2.025330 13.30238 
1 1 1   -7    3   56 o  446.894   8.5507  1357.24   51.783  1357.24   51.783   0.0000   0.0000  446.894   8.5507  ?   ?       ?      ? 
1 1 1   -7    3   57 o  344.403   5.2761  805.418   24.620  825.268   35.123  786.244   34.521  348.576   7.4356  340.229   7.4873 8.346985 10.55217 
1 1 1   -7    3   58 o  152.744   4.7184  158.409   9.7557  168.493   13.906  148.638   13.690  157.538   6.5140  147.951   6.8279 9.587006 9.436749 
1 1 1   -7    3   59 o  282.104   4.9144  540.430   18.784  555.296   26.739  525.946   26.393  285.939   6.9008  278.270   6.9990 7.668640 9.828864 
1 1 1   -7    3   60 o  345.321   6.4548  804.095   28.475  833.771   49.742  789.629   34.729  349.773   10.494  340.869   7.5183 8.904358 12.90958 
1 1 1   -7    3   61 o  394.143   6.9114  1043.05   34.680  1102.37   61.260  1015.08   42.071  401.929   11.247  386.356   8.0354 15.57300 13.82273 
1 1 1   -7    3   62 o  352.600   5.3815  844.517   25.700  883.324   36.940  808.114   35.778  360.451   7.5626  344.749   7.6582 15.70145 10.76292 
1 1 1   -7    3   63 o  198.484   4.6941  267.826   12.618  274.720   17.709  260.718   17.984  201.091   6.4988  195.877   6.7752 5.214157 9.388134 
1 1 1   -7    3   64 o  243.073   5.8065  404.528   18.130  409.820   22.409  394.502   30.845  245.565   6.7341  240.581   9.4611 4.984482 11.61293 
1 1 1   -7    3   65 o  249.922   6.0741  424.644   19.113  423.358   23.084  427.447   34.084  249.558   6.8259  250.286   10.049 -0.7278748 12.14826 
1 1 1   -7    3   66 o  258.023   6.1204  457.135   19.988  463.757   24.363  443.499   34.960  261.164   6.8840  254.882   10.122 6.282013 12.24084 
1 1 1   -7    3   67 o  215.542   4.8039  315.905   14.030  323.445   19.905  308.461   19.777  218.105   6.7345  212.980   6.8525 5.125031 9.607823 
1 1 1   -7    3   68 o  124.109   5.3745  104.744   9.0218   95.988   12.549  114.109   12.979  118.732   7.7995  129.487   7.3966 -10.75509 10.74907 
1 1 1   -7    3   69 o  290.078   6.2591  571.479   23.146  581.141   40.404  566.758   28.239  291.576   10.226  288.581   7.2211 2.995911 12.51827 
1 1 1   -7    3   70 o  159.244   4.9683  172.378   10.705  186.057   15.404  159.599   14.889  165.363   6.8741  153.125   7.1750 12.23712 9.936510 
1 1 1   -7    3   71 o   55.962   8.5132   22.154   6.4440   14.773   9.0336   29.802   9.1950   45.931   13.571   65.992   10.282 -20.06075 17.02650 
1 1 1   -7    3   72 o   99.553   5.7641   67.611   7.7465   60.019   10.807   75.634   11.109   93.775   8.5046  105.331   7.7829 -11.55600 11.52827 
1 1 1   -7    3   73 o  151.494   4.9919  156.445   10.230  168.281   14.544  144.858   14.391  157.195   6.8277  145.794   7.2840 11.40076 9.983712 
1 1 1   -7    3   74 o  249.361   4.9820  423.814   16.835  424.012   23.773  423.616   23.843  249.421   7.0335  249.300   7.0577 0.1216888 9.964026 
1 1 1   -7    3   75 o  211.933   6.0251  313.227   16.406  287.488   27.410  327.595   20.480  204.669   9.8828  219.197   6.8947 -14.52779 12.05017 
1 1 1   -7    3   76 o  177.565   4.9559  214.823   11.913  202.017   16.506  228.745   17.211  172.038   7.0800  183.092   6.9366 -11.05414 9.911790 
1 1 1   -7    3   77 o   83.892   6.8072   48.987   7.5661   37.065   10.632   61.221   10.770   73.275   10.707   94.508   8.4094 -21.23269 13.61438 
1 1 1   -7    3   78 o  120.077   6.4688   97.012   10.253  108.675   16.861   90.168   12.916  125.520   9.9126  114.635   8.3141 10.88495 12.93765 
1 1 1   -7    3   79 o  104.793   7.9722   75.379   11.321   75.379   11.321   0.0000   0.0000  104.793   7.9722  ?   ?       ?      ? 
1 1 1   -7    3   80 o  121.297   6.7368   97.545   10.228   91.263   12.139  112.920   18.991  115.259   7.7720  127.334   11.006 -12.07502 13.47355 
1 1 1   -7    3   81 o  198.520   4.8842  270.121   13.135  262.973   18.276  277.759   18.890  195.812   6.8874  201.227   6.9272 -5.415451 9.768406 
1 1 1   -7    3   82 o  155.053   4.9853  165.250   10.471  165.558   14.612  164.925   15.013  155.234   6.9459  154.872   7.1532 0.3616028 9.970623 
1 1 1   -7    3   83 o   44.210   9.9636   9.5774   7.0247   25.664   12.417   2.0058   8.5190   58.271   15.468   30.149   12.564 28.12142 19.92724 
1 1 1   -7    3   84 o   83.283   7.8312   48.463   8.3938   51.120   14.450   47.110   10.312   84.451   12.627   82.115   9.2669 2.336899 15.66242 
1 1 1   -7    3   85 o  144.209   5.0483  143.903   9.8589  147.373   13.810  140.296   14.079  146.049   6.9775  142.370   7.2977 3.678894 10.09662 
1 1 1   -7    3   86 o   70.411   7.0800   34.849   6.7089   29.622   9.1120   41.036   9.9142   64.562   10.415   76.259   9.5937 -11.69677 14.16005 
1 1 1   -7    3   87 o   41.335   9.4962   8.9747   6.5551   22.627   10.937   1.3207   8.1890   54.012   14.596   28.658   12.152 25.35398 18.99231 
1 1 1   -7    3   88 o   43.363   9.6656   14.515   6.7890   6.3260   11.159   19.326   8.5541   36.395   14.680   50.331   12.577 -13.93574 19.33113 
1 1 1   -7    3   89 o   74.727   8.4080   41.425   7.8667   41.587   13.318   41.338   9.7491   73.353   13.907   76.101   9.4535 -2.748199 16.81591 
1 1 1   -7    3   90 o   78.160   7.8417   41.471   7.9594   56.981   13.913   33.925   9.7044   87.931   11.676   68.389   10.471 19.54203 15.68346 
1 1 1   -7    3   91 o   57.051   15.517   26.601   12.314   26.601   12.314   0.0000   0.0000   57.051   15.517  ?   ?       ?      ? 
1 1 1   -7    3   92 o   67.073   14.858   36.325   13.149   36.325   13.149   0.0000   0.0000   67.073   14.858  ?   ?       ?      ? 
1 1 1   -7    3   93 o   99.049   11.773   73.539   15.802   73.539   15.802   0.0000   0.0000   99.049   11.773  ?   ?       ?      ? 
1 1 1   -7    3   94 o   48.134   16.172   19.285   12.459   19.285   12.459   0.0000   0.0000   48.134   16.172  ?   ?       ?      ? 
1 1 1   -7    4    1 o  420.224   7.9508  1197.90   45.271  1178.76   63.444  1217.75   64.618  416.806   11.232  423.643   11.256 -6.836517 15.90155 
1 1 1   -7    4    2 o  331.377   5.9413  737.672   24.899  725.631   30.085  763.850   44.360  327.169   6.7857  335.585   9.7545 -8.415802 11.88257 
1 1 1   -7    4    3 o  254.622   4.2621  439.245   14.702  424.636   20.561  454.527   21.030  250.291   6.0620  258.952   5.9929 -8.660583 8.524262 
1 1 1   -7    4    4 o  271.087   4.3751  497.780   16.066  478.637   22.408  518.028   23.046  265.727   6.2227  276.447   6.1518 -10.71970 8.750196 
1 1 1   -7    4    5 o  377.415   6.2546  949.214   30.094  918.269   36.503  1014.88   53.173  368.029   7.3192  386.800   10.144 -18.77139 12.50916 
1 1 1   -7    4    6 o  384.809   6.1546  1050.69   28.545  1113.81   34.007  900.153   52.517  405.357   6.1908  364.259   10.639 41.09793 12.30920 
1 1 1   -7    4    7 o  451.422   6.7234  1395.47   36.111  1410.29   42.114  1354.30   70.182  456.105   6.8136  446.739   11.593 9.365875 13.44680 
1 1 1   -7    4    8 o  247.143   5.1182  412.246   16.440  407.632   20.470  420.631   27.593  245.224   6.1600  249.062   8.1755 -3.837982 10.23643 
1 1 1   -7    4    9 f  375.746   5.1991  956.289   26.460  993.735   38.109  921.435   36.766  382.842   7.3456  368.651   7.3596 14.19043 10.39811 
1 1 1   -7    4   10 f  491.604   6.2097  1638.66   41.364  1609.93   57.975  1668.44   59.033  487.217   8.7809  495.991   8.7829 -8.774017 12.41945 
1 1 1   -7    4   11 o  440.044   5.7497  1313.12   34.286  1306.03   48.379  1320.28   48.597  438.851   8.1350  441.238   8.1275 -2.387390 11.49932 
1 1 1   -7    4   12 o  269.216   4.3991  491.208   16.046  477.726   22.511  505.132   22.878  265.461   6.2578  272.970   6.1847 -7.509888 8.798283 
1 1 1   -7    4   13 o  326.086   4.8078  720.897   21.245  712.705   29.936  729.209   30.154  324.220   6.8136  327.953   6.7849 -3.733307 9.615650 
1 1 1   -7    4   14 o  437.273   7.0682  1291.47   39.267  1280.45   47.735  1314.53   69.058  434.510   8.1069  440.037   11.581 -5.527100 14.13646 
1 1 1   -7    4   15 o  508.287   7.8600  1748.96   50.823  1739.90   61.911  1767.69   88.997  506.433   9.0212  510.141   12.874 -3.707275 15.71992 
1 1 1   -7    4   16 o  437.452   5.7486  1297.90   34.078  1306.23   48.351  1289.69   48.036  438.846   8.1305  436.059   8.1291 2.787292 11.49723 
1 1 1   -7    4   17 o  267.104   4.4377  483.343   16.055  505.305   23.031  462.582   22.392  273.004   6.2253  261.205   6.3260 11.79852 8.875411 
1 1 1   -7    4   18 o  191.661   4.0290  249.025   10.464  249.150   14.776  248.899   14.821  191.709   5.6876  191.612   5.7080 0.9695435E-01 8.057931 
1 1 1   -7    4   19 o  356.464   5.0912  861.534   24.591  877.023   35.006  846.443   34.552  359.627   7.1831  353.301   7.2169 6.326721 10.18239 
1 1 1   -7    4   20 o  445.656   5.8510  1347.10   35.335  1340.34   49.811  1353.95   50.133  444.531   8.2688  446.781   8.2803 -2.250275 11.70196 
1 1 1   -7    4   21 o  362.037   5.1479  888.712   25.255  900.728   35.905  876.948   35.529  364.459   7.2699  359.615   7.2905 4.844055 10.29578 
1 1 1   -7    4   22 o  414.292   5.5844  1163.15   31.341  1127.98   43.654  1200.57   45.023  407.833   7.8987  420.751   7.8964 -12.91736 11.16880 
1 1 1   -7    4   23 f  203.974   4.1702  281.844   11.518  266.957   16.082  297.524   16.505  198.446   5.9802  209.502   5.8137 -11.05589 8.340400 
1 1 1   -7    4   24 o  714.801   8.4100  3465.61   81.434  3378.08  113.323  3559.07  117.100  705.479   11.854  724.123   11.933 -18.64380 16.81997 
1 1 1   -7    4   25 o  969.774   11.014  6387.62  144.722  6506.30  207.028  6274.21  202.387  978.574   15.612  960.974   15.541 17.60022 22.02864 
1 1 1   -7    4   26 o  1062.74   16.993  7666.39  244.182  7211.41  332.157  8201.43  360.196  1028.63   23.829  1096.85   24.233 -68.22717 33.98606 
1 1 1   -7    4   27 o  617.667   9.1392  2614.83   72.768  2675.30   90.523  2504.39  122.337  628.020   10.637  607.314   14.865 20.70612 18.27847 
1 1 1   -7    4   28 o  1011.93   11.446  6953.32  156.934  7056.05  224.068  6854.40  219.869  1019.26   16.222  1004.60   16.151 14.65967 22.89107 
1 1 1   -7    4   29 o  981.394   11.132  6539.47  148.040  6601.69  210.562  6478.66  208.179  986.007   15.759  976.780   15.727 9.226685 22.26399 
1 1 1   -7    4   30 o  701.832   11.759  3341.41  111.839  3341.41  111.839   0.0000   0.0000  701.832   11.759  ?   ?       ?      ? 
1 1 1   -7    4   31 o  442.915   5.8909  1329.99   35.358  1333.82   49.986  1326.16   50.021  443.553   8.3160  442.277   8.3460 1.276062 11.78187 
1 1 1   -7    4   32 o  324.609   6.1305  706.029   25.140  691.759   30.319  737.427   44.973  319.457   7.0036  329.761   10.064 -10.30408 12.26110 
1 1 1   -7    4   33 o  444.517   7.2737  1319.51   40.769  1285.52   49.026  1395.70   73.401  435.448   8.3083  453.585   11.942 -18.13715 14.54741 
1 1 1   -7    4   34 o  736.216   10.584  3652.11   99.188  3759.49  174.247  3600.65  120.641  743.924   17.284  728.508   12.220 15.41650 21.16792 
1 1 1   -7    4   35 o  856.494   19.709  4987.73  228.754  4987.73  228.754   0.0000   0.0000  856.494   19.709  ?   ?       ?      ? 
1 1 1   -7    4   36 o  838.560   9.7000  4768.79  110.174  4639.82  152.948  4907.89  158.838  826.793   13.651  850.328   13.784 -23.53442 19.39991 
1 1 1   -7    4   37 o  569.518   7.0518  2199.01   54.413  2247.34   77.868  2152.89   76.067  575.631   9.9823  563.406   9.9631 12.22467 14.10353 
1 1 1   -7    4   38 o  481.340   6.2566  1571.13   40.811  1568.50   57.596  1573.78   57.835  480.936   8.8373  481.744   8.8591 -0.8081055 12.51328 
1 1 1   -7    4   39 o  436.943   5.8853  1294.55   34.847  1285.18   49.065  1304.08   49.500  435.348   8.3167  438.537   8.3294 -3.188904 11.77058 
1 1 1   -7    4   40 o  286.076   6.7657  554.825   26.229  554.825   26.229   0.0000   0.0000  286.076   6.7657  ?   ?       ?      ? 
1 1 1   -7    4   41 o  605.082   7.4069  2484.12   60.733  2506.88   86.268  2461.76   85.515  607.830   10.473  602.334   10.477 5.495361 14.81383 
1 1 1   -7    4   42 o  775.475   12.833  4083.84  134.857  4083.84  134.857   0.0000   0.0000  775.475   12.833  ?   ?       ?      ? 
1 1 1   -7    4   43 o  176.673   5.4414  202.976   12.281  237.483   21.997  187.350   14.802  187.113   8.6752  166.232   6.5710 20.88121 10.88286 
1 1 1   -7    4   44 o  261.497   4.7201  463.506   16.723  476.032   23.868  451.428   23.438  264.967   6.6472  258.027   6.7031 6.939972 9.440179 
1 1 1   -7    4   45 o  365.552   5.3700  905.301   26.585  948.506   38.288  865.078   36.943  373.966   7.5552  357.138   7.6332 16.82861 10.74000 
1 1 1   -7    4   46 o  506.235   7.9334  1737.67   51.404  1731.85   63.027  1749.21   88.838  505.167   9.2069  507.303   12.923 -2.136383 15.86690 
1 1 1   -7    4   47 o  621.136   9.2501  2607.25   73.228  2576.52   89.231  2670.64  128.154  615.927   10.691  626.345   15.099 -10.41772 18.50017 
1 1 1   -7    4   48 o  481.806   8.8957  1574.73   58.009  1660.92   84.600  1498.25   79.694  494.212   12.632  469.400   12.529 24.81226 17.79139 
1 1 1   -7    4   49 o  343.102   6.5697  805.439   28.741  817.744   35.273  781.134   49.575  347.159   7.4978  339.044   10.790 8.114075 13.13935 
1 1 1   -7    4   50 o  142.165   4.7038  137.116   9.0580  142.558   12.865  131.766   12.756  144.965   6.5488  139.365   6.7541 5.600220 9.407685 
1 1 1   -7    4   51 o  311.885   5.0408  659.058   21.288  629.422   29.451  691.481   30.805  304.554   7.1361  319.216   7.1213 -14.66205 10.08152 
1 1 1   -7    4   52 o  453.640   6.1038  1397.73   37.522  1407.77   53.151  1387.76   52.978  455.265   8.6151  452.014   8.6490 3.251556 12.20758 
1 1 1   -7    4   53 o  301.779   6.0955  623.454   23.641  603.434   40.108  634.113   29.265  297.909   9.9348  305.650   7.0654 -7.741577 12.19101 
1 1 1   -7    4   54 o  314.696   5.0672  672.249   21.608  681.008   30.750  663.705   30.370  316.720   7.1645  312.671   7.1677 4.049652 10.13442 
1 1 1   -7    4   55 o  344.774   5.2776  804.507   24.615  748.834   33.741  867.849   35.989  332.062   7.4981  357.485   7.4290 -25.42276 10.55518 
1 1 1   -7    4   56 o  313.633   7.1682  667.984   30.466  667.984   30.466   0.0000   0.0000  313.633   7.1682  ?   ?       ?      ? 
1 1 1   -7    4   57 o  342.549   5.2749  796.772   24.481  776.740   34.229  817.749   35.027  338.142   7.4699  346.956   7.4498 -8.813873 10.54983 
1 1 1   -7    4   58 o  388.935   5.6242  1027.62   29.634  1061.38   42.431  995.479   41.406  395.171   7.9234  382.698   7.9841 12.47336 11.24840 
1 1 1   -7    4   59 o  269.150   5.9929  501.863   20.756  462.245   34.629  524.077   25.931  260.534   9.8083  277.767   6.8889 -17.23294 11.98585 
1 1 1   -7    4   60 o  264.746   4.8641  476.164   17.451  473.922   24.658  478.415   24.700  264.121   6.8893  265.372   6.8685 -1.251221 9.728256 
1 1 1   -7    4   61 o  132.164   4.9484  118.757   8.8569  123.346   12.503  114.134   12.548  134.737   6.8477  129.591   7.1454 5.145248 9.896834 
1 1 1   -7    4   62 o  354.549   5.4076  854.815   25.980  851.292   36.546  858.414   36.940  353.815   7.6223  355.283   7.6726 -1.468231 10.81513 
1 1 1   -7    4   63 o  354.430   5.4389  853.238   26.103  822.251   36.064  887.332   37.829  347.688   7.6542  361.172   7.7290 -13.48398 10.87771 
1 1 1   -7    4   64 o  308.646   7.2437  647.817   30.297  647.817   30.297   0.0000   0.0000  308.646   7.2437  ?   ?       ?      ? 
1 1 1   -7    4   65 o  205.010   5.9821  280.703   15.340  272.215   18.310  300.691   28.096  200.105   6.7521  209.915   9.8767 -9.809921 11.96412 
1 1 1   -7    4   66 o  301.951   5.1197  620.169   20.948  612.908   29.433  627.623   29.820  300.161   7.2360  303.741   7.2447 -3.580444 10.23943 
1 1 1   -7    4   67 o  194.313   4.8242  256.759   12.702  254.741   17.821  258.841   18.109  193.541   6.7950  195.086   6.8498 -1.545456 9.648354 
1 1 1   -7    4   68 o  193.274   4.8502  254.131   12.702  257.260   17.909  250.963   18.018  194.479   6.7953  192.070   6.9225 2.408813 9.700396 
1 1 1   -7    4   69 o  133.187   6.6027  126.722   11.037  104.985   18.705  138.333   13.671  123.803   11.149  142.572   7.0760 -18.76926 13.20531 
1 1 1   -7    4   70 o  223.941   4.8758  341.228   14.791  328.338   20.765  354.503   21.073  219.637   6.9767  228.245   6.8131 -8.607620 9.751586 
1 1 1   -7    4   71 f   93.182   6.0644   59.361   7.6332   65.061   10.827   53.728   10.763   97.667   8.1803   88.696   8.9549 8.971062 12.12883 
1 1 1   -7    4   72 o   98.537   5.8746   66.190   7.7928   56.388   10.773   76.949   11.286   90.854   8.7500  106.219   7.8409 -15.36475 11.74916 
1 1 1   -7    4   73 o  133.095   6.5134  126.134   11.001  105.793   18.318  137.609   13.758  124.100   10.892  142.089   7.1452 -17.98877 13.02679 
1 1 1   -7    4   74 o  246.864   9.7603  417.961   32.652  417.961   32.652   0.0000   0.0000  246.864   9.7603  ?   ?       ?      ? 
1 1 1   -7    4   75 o  176.874   4.9110  213.463   11.759  226.091   16.729  201.130   16.532  182.074   6.7803  171.675   7.1063 10.39925 9.822032 
1 1 1   -7    4   76 o  122.467   5.3587  102.549   8.8839  108.853   12.658   96.429   12.472  126.201   7.4012  118.732   7.7514 7.469696 10.71740 
1 1 1   -7    4   77 o  206.161   6.8773  290.393   19.213  290.393   19.213   0.0000   0.0000  206.161   6.8773  ?   ?       ?      ? 
1 1 1   -7    4   78 o  120.637   6.8959   94.209   10.339   85.745   12.148  116.444   19.690  111.785   8.0193  129.490   11.221 -17.70569 13.79171 
1 1 1   -7    4   79 o   87.576   8.7712   52.851   10.409   52.851   10.409   0.0000   0.0000   87.576   8.7712  ?   ?       ?      ? 
1 1 1   -7    4   80 o  119.025   5.3577   97.209   8.6247   88.994   11.966  106.091   12.442  113.758   7.7621  124.292   7.3871 -10.53351 10.71544 
1 1 1   -7    4   81 o   77.765   6.6791   41.985   7.0378   41.602   9.8662   42.382   10.042   77.411   9.4051   78.118   9.4861 -0.7066574 13.35823 
1 1 1   -7    4   82 o   81.519   8.3446   49.085   8.4344   42.201   13.896   53.101   10.613   75.598   14.082   87.440   8.9567 -11.84223 16.68918 
1 1 1   -7    4   83 o   88.797   9.7916   56.864   11.124   39.222   14.862   79.335   16.773   71.881   15.697  105.712   11.709 -33.83089 19.58312 
1 1 1   -7    4   84 o  101.000   7.3548   72.407   9.5463   70.711   16.164   73.315   11.830   99.413   11.999  102.587   8.5093 -3.173950 14.70967 
1 1 1   -7    4   85 o  117.812   5.5369   96.011   8.8147   87.535   11.991  105.976   13.002  112.162   7.8893  123.461   7.7711 -11.29859 11.07389 
1 1 1   -7    4   86 o   49.084   9.7550   19.191   7.2806   9.0203   11.623   25.758   9.3402   39.471   15.270   58.697   12.143 -19.22628 19.50991 
1 1 1   -7    4   87 o   66.263   8.8826   32.845   7.5746   32.091   12.208   33.317   9.6584   64.352   14.363   68.174   10.454 -3.822121 17.76518 
1 1 1   -7    4   88 o   73.150   9.1846   44.329   8.0950   28.545   13.430   53.335   10.145   59.428   16.222   86.873   8.6176 -27.44515 18.36921 
1 1 1   -7    4   89 o   43.637   10.040   14.840   6.9311   10.101   11.528   17.523   8.6740   39.730   15.252   47.543   13.062 -7.813267 20.08024 
1 1 1   -7    4   90 o  113.314   8.2169   92.828   12.454   75.496   16.424  116.273   19.102  100.800   12.024  125.828   11.202 -25.02807 16.43381 
1 1 1   -7    4   91 o  110.342   11.312   89.983   16.915   89.983   16.915   0.0000   0.0000  110.342   11.312  ?   ?       ?      ? 
1 1 1   -7    4   92 o  122.222   10.645  109.816   17.632  109.816   17.632   0.0000   0.0000  122.222   10.645  ?   ?       ?      ? 
1 1 1   -7    4   93 o   35.981   14.630   6.9256   11.180   6.9256   11.180   0.0000   0.0000   35.981   14.630  ?   ?       ?      ? 
1 1 1   -7    4   94 o   30.847   13.684  -0.1981   11.395  -0.1981   11.395   0.0000   0.0000   30.847   13.684  ?   ?       ?      ? 
1 1 1   -7    5    1 o  224.887   4.1062  342.861   12.513  348.947   17.715  336.800   17.676  226.879   5.7618  222.894   5.8521 3.985504 8.212490 
1 1 1   -7    5    2 o  249.185   4.2469  420.844   14.339  413.217   20.094  428.757   20.468  246.886   6.0062  251.485   6.0059 -4.599548 8.493800 
1 1 1   -7    5    3 o  242.656   4.2094  398.969   13.838  386.311   19.338  412.251   19.809  238.713   5.9779  246.599   5.9278 -7.885513 8.418700 
1 1 1   -7    5    4 o  265.120   4.3588  476.360   15.657  490.069   22.355  463.163   21.934  268.862   6.1357  261.376   6.1925 7.485992 8.717510 
1 1 1   -7    5    5 o  238.231   5.3387  393.511   16.092  360.093   27.733  410.471   19.758  230.396   8.8826  246.066   5.9251 -15.66977 10.67748 
1 1 1   -7    5    6 o  233.245   6.1326  368.980   19.382  362.736   27.230  375.392   27.595  231.245   8.6894  235.246   8.6561 -4.000549 12.26515 
1 1 1   -7    5    7 o  319.476   5.5536  691.881   24.044  691.881   24.044   0.0000   0.0000  319.476   5.5536  ?   ?       ?      ? 
1 1 1   -7    5    8 o  452.304   6.6731  1342.17   35.085  1301.14   40.040  1477.83   72.811  438.061   6.7449  466.547   11.516 -28.48599 13.34617 
1 1 1   -7    5    9 o  235.771   4.7514  377.582   13.447  378.362   15.725  375.459   25.938  236.263   4.9115  235.279   8.1352 0.9844513 9.502859 
1 1 1   -7    5   10 o  278.016   5.1694  538.257   17.253  555.721   20.342  493.489   32.569  286.325   5.2426  269.707   8.9110 16.61731 10.33877 
1 1 1   -7    5   11 o  152.903   3.8697  158.450   8.0111  149.536   11.228  167.693   11.434  148.522   5.5785  157.283   5.3644 -8.761307 7.739312 
1 1 1   -7    5   12 o  481.976   12.420  1577.84   81.118   0.0000   0.0000  1577.84   81.118  ?   ?   481.976   12.420      ?      ? 
1 1 1   -7    5   13 o  463.989   7.4045  1466.54   43.792  1477.02   53.612  1445.53   75.910  466.627   8.4784  461.350   12.142 5.276611 14.80903 
1 1 1   -7    5   14 o  404.240   5.4700  1108.23   29.964  1114.70   42.497  1101.83   42.256  405.414   7.7352  403.066   7.7363 2.348206 10.94004 
1 1 1   -7    5   15 o  182.285   3.9889  225.228   9.8527  228.645   14.011  221.885   13.858  183.653   5.6298  180.917   5.6523 2.735535 7.977724 
1 1 1   -7    5   16 o  558.031   6.8761  2112.15   51.987  2160.14   74.392  2066.33   72.681  564.224   9.7295  551.838   9.7191 12.38654 13.75224 
1 1 1   -7    5   17 o  616.702   7.4445  2581.11   62.214  2567.29   87.710  2595.11   88.261  615.041   10.524  618.363   10.533 -3.321899 14.88902 
1 1 1   -7    5   18 o  397.209   5.4326  1069.85   29.241  1081.29   41.552  1058.63   41.157  399.312   7.6789  395.106   7.6869 4.205627 10.86524 
1 1 1   -7    5   19 o  554.428   9.6918  2085.41   72.817  2085.41   72.817   0.0000   0.0000  554.428   9.6918  ?   ?       ?      ? 
1 1 1   -7    5   20 o  405.797   5.5165  1116.60   30.335  1122.64   43.028  1110.62   42.775  406.889   7.8035  404.705   7.7995 2.184143 11.03302 
1 1 1   -7    5   21 f  521.692   6.5491  1845.95   46.299  1853.07   65.638  1838.91   65.318  522.693   9.2667  520.692   9.2570 2.000916 13.09820 
1 1 1   -7    5   22 o  641.317   10.920  2790.43   94.898  2790.43   94.898   0.0000   0.0000  641.317   10.920  ?   ?       ?      ? 
1 1 1   -7    5   23 o  538.395   8.1449  1925.01   55.475  1854.61   66.750  2082.21   99.750  522.941   9.4193  553.850   13.290 -30.90918 16.28978 
1 1 1   -7    5   24 o  623.501   10.651  2627.59   89.759  2814.89  132.878  2470.40  121.729  643.827   15.230  603.174   14.893 40.65240 21.30127 
1 1 1   -7    5   25 o  830.366   11.796  4740.12  126.225  4497.23  211.776  4873.96  157.200  813.324   19.215  847.407   13.689 -34.08350 23.59222 
1 1 1   -7    5   26 o  891.654   10.204  5396.89  123.291  5398.63  174.380  5395.14  174.340  891.798   14.429  891.509   14.431 0.2883911 20.40718 
1 1 1   -7    5   27 o  715.448   8.4415  3471.34   81.829  3410.83  114.428  3534.67  117.064  709.071   11.909  721.825   11.968 -12.75366 16.88306 
1 1 1   -7    5   28 o  613.283   7.4383  2550.55   61.815  2579.07   87.962  2522.73   86.887  616.668   10.526  609.897   10.513 6.771301 14.87656 
1 1 1   -7    5   29 o  682.086   11.470  3155.81  106.018  3155.81  106.018   0.0000   0.0000  682.086   11.470  ?   ?       ?      ? 
1 1 1   -7    5   30 o  940.606   13.167  6026.74  158.341  6056.57  194.327  5967.82  273.135  944.534   15.182  936.677   21.518 7.856873 26.33491 
1 1 1   -7    5   31 o  892.264   12.560  5410.06  142.986  5412.55  174.933  5405.06  248.197  892.976   14.456  891.552   20.543 1.423218 25.11969 
1 1 1   -7    5   32 o  565.942   8.5265  2150.65   61.418  2237.41  108.196  2109.41   74.602  574.159   13.906  557.725   9.8707 16.43408 17.05297 
1 1 1   -7    5   33 o  635.678   9.3694  2732.03   76.075  2772.89  132.296  2711.84   92.987  639.052   15.277  632.305   10.852 6.746826 18.73876 
1 1 1   -7    5   34 o  538.938   6.7721  1969.27   49.454  1937.66   69.324  2002.03   70.569  534.535   9.5703  543.341   9.5843 -8.806213 13.54429 
1 1 1   -7    5   35 o  191.465   4.3873  248.485   11.383  248.102   16.145  248.863   16.052  191.318   6.2273  191.612   6.1818 -0.2937469 8.774641 
1 1 1   -7    5   36 o  446.556   5.9610  1352.13   36.072  1358.09   51.152  1346.24   50.876  447.534   8.4344  445.577   8.4257 1.956665 11.92193 
1 1 1   -7    5   37 o  674.932   8.0654  3089.76   73.753  3155.66  105.626  3027.07  103.026  681.950   11.430  667.914   11.383 14.03552 16.13086 
1 1 1   -7    5   38 o  409.618   5.6828  1137.68   31.544  1150.25   44.793  1125.31   44.428  411.863   8.0256  407.373   8.0479 4.489563 11.36569 
1 1 1   -7    5   39 f  580.790   7.1843  2288.13   56.538  2323.07   80.616  2254.32   79.315  585.152   10.166  576.429   10.154 8.722717 14.36855 
1 1 1   -7    5   40 o  750.934   8.8336  3828.84   89.891  3813.83  126.781  3844.00  127.473  749.456   12.483  752.412   12.502 -2.956360 17.66716 
1 1 1   -7    5   41 o  572.286   14.292  2225.53  110.841  2225.53  110.841   0.0000   0.0000  572.286   14.292  ?   ?       ?      ? 
1 1 1   -7    5   42 o  454.634   7.4571  1399.07   43.257  1414.06   75.307  1391.69   52.845  456.319   12.178  452.949   8.6094 3.369781 14.91415 
1 1 1   -7    5   43 o  618.364   10.647  2597.06   89.151  2694.73  129.097  2508.02  123.262  629.451   15.135  607.277   14.978 22.17401 21.29319 
1 1 1   -7    5   44 o  490.756   12.768  1636.66   84.913  1636.66   84.913   0.0000   0.0000  490.756   12.768  ?   ?       ?      ? 
1 1 1   -7    5   45 o  428.527   5.8967  1245.19   34.231  1214.48   47.681  1277.84   49.175  423.081   8.3164  433.973   8.3618 -10.89166 11.79331 
1 1 1   -7    5   46 o  386.445   6.6773  996.716   32.925  964.720   39.976  1064.19   58.053  377.083   7.8231  395.808   10.823 -18.72476 13.35457 
1 1 1   -7    5   47 o  377.021   6.8645  980.521   32.965  1012.04   40.606  919.591   56.459  386.200   7.7588  367.842   11.326 18.35794 13.72896 
1 1 1   -7    5   48 o  578.114   8.8790  2264.29   65.124  2246.85   79.095  2301.01  114.757  575.081   10.149  581.148   14.572 -6.066345 17.75791 
1 1 1   -7    5   49 o  468.978   6.2274  1492.58   39.564  1454.92   55.104  1532.65   56.839  462.879   8.7849  475.077   8.8287 -12.19803 12.45471 
1 1 1   -7    5   50 o  274.911   4.8449  512.812   18.049  510.633   25.435  515.023   25.617  274.324   6.8419  275.499   6.8615 -1.175598 9.689822 
1 1 1   -7    5   51 o  429.184   8.3349  1250.98   48.476  1250.98   48.476   0.0000   0.0000  429.184   8.3349  ?   ?       ?      ? 
1 1 1   -7    5   52 o  314.759   6.2184  674.319   25.001  669.709   43.235  676.634   30.644  313.802   10.167  315.717   7.1626 -1.914795 12.43681 
1 1 1   -7    5   53 o  256.412   5.8544  449.483   19.168  438.177   33.012  455.233   23.543  253.848   9.5966  258.977   6.7085 -5.129517 11.70889 
1 1 1   -7    5   54 o  285.186   4.9021  551.925   18.941  566.882   27.108  537.657   26.475  288.961   6.9226  281.412   6.9425 7.548737 9.804146 
1 1 1   -7    5   55 o  443.906   6.0453  1338.85   36.357  1373.18   52.074  1306.21   50.783  449.454   8.5498  438.358   8.5489 11.09662 12.09063 
1 1 1   -7    5   56 o  239.453   4.7232  388.893   15.314  367.808   21.303  411.441   22.030  232.738   6.7545  246.168   6.6039 -13.42961 9.446384 
1 1 1   -7    5   57 o  215.495   5.7235  319.191   15.761  304.937   26.954  326.598   19.429  211.675   9.3965  219.314   6.5374 -7.638550 11.44696 
1 1 1   -7    5   58 f  402.476   7.0085  1081.43   35.742  1164.70   63.985  1043.66   43.092  413.170   11.428  391.781   8.1165 21.38876 14.01694 
1 1 1   -7    5   59 o  418.664   5.8719  1191.36   33.302  1154.11   46.374  1231.02   47.852  411.912   8.3078  425.417   8.3005 -13.50479 11.74384 
1 1 1   -7    5   60 o  219.105   4.7197  326.138   14.013  325.003   19.777  327.283   19.860  218.722   6.6723  219.487   6.6769 -0.7652588 9.439371 
1 1 1   -7    5   61 o  354.723   7.6483  855.706   36.765  855.706   36.765   0.0000   0.0000  354.723   7.6483  ?   ?       ?      ? 
1 1 1   -7    5   62 o  358.260   5.4610  871.183   26.483  824.710   36.497  922.866   38.489  348.189   7.7350  368.332   7.7110 -20.14264 10.92201 
1 1 1   -7    5   63 o  224.664   6.7381  343.076   20.514  343.076   20.514   0.0000   0.0000  224.664   6.7381  ?   ?       ?      ? 
1 1 1   -7    5   64 o  160.832   5.7485  177.917   11.931  182.263   14.868  170.059   19.993  163.742   6.7007  157.921   9.3423 5.820709 11.49691 
1 1 1   -7    5   65 o  247.197   4.8592  414.710   16.254  384.937   22.484  447.303   23.525  237.909   6.9740  256.486   6.7683 -18.57693 9.718336 
1 1 1   -7    5   66 o  248.645   4.8917  420.493   16.481  429.276   23.389  411.830   23.227  251.230   6.8699  246.059   6.9657 5.171173 9.783466 
1 1 1   -7    5   67 o  221.963   4.8590  335.134   14.615  332.819   20.611  337.476   20.727  221.192   6.8763  222.735   6.8669 -1.543198 9.717944 
1 1 1   -7    5   68 o  247.469   4.9136  416.533   16.473  431.752   23.541  401.933   23.058  251.904   6.8963  243.034   7.0011 8.870056 9.827171 
1 1 1   -7    5   69 o  143.764   6.1629  141.132   11.310  140.704   19.593  141.346   13.851  143.430   10.080  144.097   7.0931 -0.6666565 12.32582 
1 1 1   -7    5   70 o   66.959   8.0155   31.990   6.8306   45.510   9.8699   19.562   9.4629   81.634   8.9219   52.283   13.319 29.35146 16.03101 
1 1 1   -7    5   71 o  127.971   5.2434  111.633   9.0905  108.654   12.858  114.612   12.854  126.253   7.5153  129.689   7.3139 -3.435883 10.48676 
1 1 1   -7    5   72 o  153.581   6.0110  156.090   11.898  177.405   20.799  145.721   14.506  160.965   9.5350  146.197   7.3219 14.76755 12.02193 
1 1 1   -7    5   73 o  170.967   5.0253  198.822   11.621  216.675   16.868  182.692   16.033  178.273   6.9823  163.661   7.2293 14.61220 10.05064 
1 1 1   -7    5   74 f  156.106   5.0311  166.300   10.640  161.018   14.992  171.659   15.102  153.595   7.2030  158.617   7.0259 -5.022003 10.06211 
1 1 1   -7    5   75 o  134.991   5.1562  124.476   9.4314  122.668   13.224  126.348   13.455  133.995   7.2824  135.987   7.3016 -1.992081 10.31248 
1 1 1   -7    5   76 o  131.907   5.1929  118.951   9.2767  113.233   12.981  124.919   13.262  128.652   7.4458  135.162   7.2406 -6.510406 10.38581 
1 1 1   -7    5   77 o   48.426   10.043   9.9941   7.2620   1.5241   8.4981   32.923   13.982   29.994   12.528   66.859   15.700 -36.86436 20.08599 
1 1 1   -7    5   78 o  103.342   5.8492   73.436   8.1809   73.330   11.286   73.553   11.875  103.301   8.0625  103.382   8.4763 -0.8071899E-01 11.69833 
1 1 1   -7    5   79 o   72.857   8.2780   38.204   7.5980   39.567   9.5561   35.861   12.528   75.619   9.3254   70.096   13.680 5.523056 16.55598 
1 1 1   -7    5   80 f   76.567   6.8484   41.162   6.9914   49.260   9.8652   32.990   9.9095   84.412   8.6242   68.723   10.641 15.68900 13.69672 
1 1 1   -7    5   81 o  110.579   5.5476   84.350   8.3091   82.519   11.534   86.326   11.980  109.348   7.7836  111.810   7.9070 -2.461189 11.09527 
1 1 1   -7    5   82 o  142.073   5.1360  138.750   9.8709  129.429   13.520  149.391   14.445  136.974   7.2838  147.172   7.2429 -10.19864 10.27196 
1 1 1   -7    5   83 o   91.960   7.6721   60.870   8.9549   56.733   15.324   63.015   11.035   88.801   12.734   95.118   8.5613 -6.317101 15.34429 
1 1 1   -7    5   84 o  103.358   7.3332   78.831   9.5009   66.150   16.091   85.618   11.772   95.737   12.403  110.979   7.8275 -15.24208 14.66642 
1 1 1   -7    5   85 o   94.592   7.1640   59.959   8.8096   76.782   15.321   51.649   10.768  103.591   10.914   85.592   9.2835 17.99979 14.32808 
1 1 1   -7    5   86 o  146.060   6.5055  155.222   12.141  136.096   20.122  166.171   15.224  137.624   10.789  154.495   7.2717 -16.87128 13.01103 
1 1 1   -7    5   87 o   60.598   11.517   28.901   9.6780   23.098   12.785   36.690   14.812   53.722   16.208   67.473   16.367 -13.75011 23.03421 
1 1 1   -7    5   88 o   85.035   8.3623   55.459   8.8777   46.016   14.145   61.596   11.403   77.036   14.068   93.034   9.0451 -15.99814 16.72457 
1 1 1   -7    5   89 o   42.628   10.063   11.156   8.6332   24.885   11.252  -8.4935   13.461   55.741   14.689   29.514   13.757 26.22648 20.12507 
1 1 1   -7    5   90 o  103.628   8.5685   79.087   11.913   72.418   15.571   88.500   18.498   98.818   11.628  108.439   12.588 -9.620903 17.13700 
1 1 1   -7    5   91 o   54.749   15.761   24.884   12.326   24.884   12.326   0.0000   0.0000   54.749   15.761  ?   ?       ?      ? 
1 1 1   -7    5   92 o   79.607   12.585   48.245   13.576   48.245   13.576   0.0000   0.0000   79.607   12.585  ?   ?       ?      ? 
1 1 1   -7    5   93 o   68.478   14.811   38.438   13.344   38.438   13.344   0.0000   0.0000   68.478   14.811  ?   ?       ?      ? 
1 1 1   -7    5   94 o   42.442   15.812   14.022   12.179   14.022   12.179   0.0000   0.0000   42.442   15.812  ?   ?       ?      ? 
1 1 1   -7    5   95 o   31.055   13.879  -0.2699   11.950  -0.2699   11.950   0.0000   0.0000   31.055   13.879  ?   ?       ?      ? 
1 1 1   -7    6    1 o  198.361   5.1601  271.692   12.912  253.217   22.495  280.770   15.768  193.210   8.5916  203.513   5.7174 -10.30338 10.32013 
1 1 1   -7    6    2 o  147.255   5.0368  148.479   9.2536  143.317   16.607  150.804   11.144  145.358   8.4309  149.152   5.5134 -3.794266 10.07360 
1 1 1   -7    6    3 f  193.986   4.0301  255.067   10.593  252.961   14.861  257.241   15.104  193.172   5.6771  194.799   5.7217 -1.626617 8.060278 
1 1 1   -7    6    4 o  201.825   4.0463  276.108   11.066  273.750   15.555  278.525   15.746  200.952   5.7122  202.697   5.7326 -1.744598 8.092680 
1 1 1   -7    6    5 o  156.386   3.9117  165.783   8.2896  165.327   11.676  166.246   11.771  156.169   5.5171  156.602   5.5468 -0.4326782 7.823374 
1 1 1   -7    6    6 o  210.052   4.1038  299.109   11.681  301.502   16.536  296.725   16.504  210.891   5.7861  209.213   5.8212 1.678009 8.207648 
1 1 1   -7    6    7 o  330.110   4.8886  738.860   21.868  747.241   31.036  730.597   30.818  331.970   6.8989  328.251   6.9281 3.718872 9.777195 
1 1 1   -7    6    8 o  562.307   7.9979  2192.59   53.773  2247.34   63.129  2047.84  102.646  575.634   8.0928  548.980   13.798 26.65363 15.99586 
1 1 1   -7    6    9 o  565.464   9.8840  2169.63   75.739  2169.63   75.739   0.0000   0.0000  565.464   9.8840  ?   ?       ?      ? 
1 1 1   -7    6   10 o  350.959   5.8824  834.989   27.977  834.989   27.977   0.0000   0.0000  350.959   5.8824  ?   ?       ?      ? 
1 1 1   -7    6   11 o  543.604   9.6120  2004.85   70.808  2004.85   70.808   0.0000   0.0000  543.604   9.6120  ?   ?       ?      ? 
1 1 1   -7    6   12 o  294.511   5.4294  587.938   21.669  587.938   21.669   0.0000   0.0000  294.511   5.4294  ?   ?       ?      ? 
1 1 1   -7    6   13 o  544.881   6.7621  2013.34   49.921  2056.36   71.433  1972.28   69.793  550.567   9.5743  539.195   9.5518 11.37177 13.52418 
1 1 1   -7    6   14 o  441.338   5.8120  1320.64   34.756  1341.89   49.569  1300.08   48.748  444.830   8.2230  437.846   8.2158 6.983795 11.62398 
1 1 1   -7    6   15 o  449.681   5.9033  1370.05   35.957  1417.96   51.775  1325.42   49.976  457.267   8.3554  442.095   8.3418 15.17157 11.80669 
1 1 1   -7    6   16 f  642.285   7.7106  2798.97   67.110  2816.20   95.248  2781.98   94.572  644.248   10.910  640.323   10.899 3.925476 15.42113 
1 1 1   -7    6   17 o  791.350   9.1882  4250.69   98.527  4210.92  138.447  4291.50  140.247  787.602   12.972  795.097   13.016 -7.494873 18.37631 
1 1 1   -7    6   18 o  383.473   10.488  997.526   54.499   0.0000   0.0000  997.526   54.499  ?   ?   383.473   10.488      ?      ? 
1 1 1   -7    6   19 o  427.293   6.9106  1226.38   37.764  1203.06   46.090  1274.03   65.874  421.236   8.0741  433.350   11.217 -12.11441 13.82111 
1 1 1   -7    6   20 o  862.919   12.170  5152.28  136.359  5412.61  172.461  4718.14  222.716  892.911   14.253  832.927   19.732 59.98358 24.34086 
1 1 1   -7    6   21 o  706.781   11.839  3389.04  113.391   0.0000   0.0000  3389.04  113.391  ?   ?   706.781   11.839      ?      ? 
1 1 1   -7    6   22 o  412.692   6.9178  1152.52   36.302  1162.08   63.595  1147.90   44.213  413.899   11.338  411.485   7.9289 2.414703 13.83553 
1 1 1   -7    6   23 o  703.381   16.709  3360.33  159.267  3360.33  159.267   0.0000   0.0000  703.381   16.709  ?   ?       ?      ? 
1 1 1   -7    6   24 o  778.750   9.0662  4110.75   95.626  4245.45  137.995  3986.31  132.634  791.006   12.874  766.494   12.769 24.51251 18.13237 
1 1 1   -7    6   25 o  483.645   8.8456  1585.96   57.974  1585.96   57.974   0.0000   0.0000  483.645   8.8456  ?   ?       ?      ? 
1 1 1   -7    6   26 f  1047.71   11.846  7454.12  168.180  7374.48  236.077  7536.18  239.648  1042.03   16.718  1053.38   16.788 -11.35205 23.69262 
1 1 1   -7    6   27 o  862.395   14.047  5047.59  164.156  5047.59  164.156   0.0000   0.0000  862.395   14.047  ?   ?       ?      ? 
1 1 1   -7    6   28 o  616.617   9.2453  2604.13   73.108  2656.94   90.366  2504.09  124.380  625.900   10.654  607.333   15.113 18.56647 18.49063 
1 1 1   -7    6   29 o  670.990   9.9017  3076.21   85.163  3120.04  105.047  2992.17  145.469  678.200   11.430  663.781   16.172 14.41907 19.80336 
1 1 1   -7    6   30 o  616.935   9.1280  2529.66   71.133  2728.13  128.186  2441.35   85.507  633.907   14.922  599.963   10.517 33.94421 18.25598 
1 1 1   -7    6   31 o  281.095   5.7032  533.532   20.596  542.483   35.416  528.958   25.317  282.843   9.2401  279.347   6.6878 3.495453 11.40645 
1 1 1   -7    6   32 o  317.098   7.0060  681.626   30.105  681.626   30.105   0.0000   0.0000  317.098   7.0060  ?   ?       ?      ? 
1 1 1   -7    6   33 o  887.550   14.404  5348.85  173.240  5348.85  173.240   0.0000   0.0000  887.550   14.404  ?   ?       ?      ? 
1 1 1   -7    6   34 f  1220.76   13.672 10135.01  226.135  9962.63  316.058 10315.81  323.684  1210.15   19.273  1231.38   19.398 -21.23132 27.34421 
1 1 1   -7    6   35 o  868.595   10.016  5122.62  117.879  5049.34  165.175  5198.68  168.280  862.270   14.136  874.920   14.193 -12.64996 20.03164 
1 1 1   -7    6   36 o  438.181   8.3687  1302.06   49.693  1302.06   49.693   0.0000   0.0000  438.181   8.3687  ?   ?       ?      ? 
1 1 1   -7    6   37 o  665.649   7.9948  3006.57   72.108  2962.40  101.055  3052.40  102.923  660.670   11.287  670.627   11.325 -9.956848 15.98953 
1 1 1   -7    6   38 o  889.433   12.527  5420.60  143.302  5504.92  177.487  5262.72  242.882  900.057   14.552  878.809   20.395 21.24731 25.05384 
1 1 1   -7    6   39 o  562.484   9.8921  2146.60   75.340  2227.66  109.288  2073.20  104.001  572.576   14.085  552.391   13.893 20.18518 19.78423 
1 1 1   -7    6   40 o  489.076   7.8992  1630.36   49.254  1604.38   85.304  1643.35   60.326  485.980   12.953  492.171   9.0449 -6.190826 15.79841 
1 1 1   -7    6   41 o  540.577   6.8340  1983.07   50.063  1989.30   70.889  1976.87   70.711  541.424   9.6618  539.729   9.6678 1.694336 13.66807 
1 1 1   -7    6   42 o  320.462   5.0743  695.672   22.022  730.416   31.721  663.351   30.596  328.178   7.1328  312.746   7.2193 15.43231 10.14863 
1 1 1   -7    6   43 f  567.997   7.1092  2187.76   54.688  2273.58   78.950  2108.60   75.826  578.692   10.067  557.303   10.040 21.38867 14.21831 
1 1 1   -7    6   44 f  651.873   9.6033  2846.76   79.366  2769.69   95.891  3014.37  141.414  638.508   11.082  665.237   15.687 -26.72894 19.20658 
1 1 1   -7    6   45 o  526.981   8.2062  1871.97   55.091  1842.47   67.035  1933.35   96.695  520.912   9.4962  533.050   13.386 -12.13800 16.41237 
1 1 1   -7    6   46 o  216.589   5.9587  325.521   16.197  338.247   19.728  299.197   28.373  223.308   6.5191  209.869   9.9762 13.43863 11.91737 
1 1 1   -7    6   47 o  474.878   6.2922  1531.23   40.490  1551.12   57.537  1511.71   56.989  477.935   8.8838  471.820   8.9132 6.114319 12.58434 
1 1 1   -7    6   48 o  455.589   6.1308  1408.78   37.840  1373.15   52.779  1446.47   54.280  449.665   8.6614  461.512   8.6791 -11.84668 12.26152 
1 1 1   -7    6   49 o  361.398   5.3924  886.323   26.404  906.669   37.756  866.850   36.938  365.455   7.6239  357.340   7.6281 8.115540 10.78474 
1 1 1   -7    6   50 o  591.193   7.3413  2376.66   58.808  2414.22   83.930  2340.44   82.425  595.778   10.396  586.609   10.369 9.168823 14.68265 
1 1 1   -7    6   51 o  472.418   7.7283  1535.31   46.875  1467.07   79.393  1571.83   58.079  463.915   12.629  480.921   8.9118 -17.00586 15.45654 
1 1 1   -7    6   52 o  340.243   10.513  787.896   48.474  787.896   48.474   0.0000   0.0000  340.243   10.513  ?   ?       ?      ? 
1 1 1   -7    6   53 o  120.791   4.9778   99.055   8.1448   99.633   11.699   98.511   11.346  121.130   7.1272  120.452   6.9509 0.6777191 9.955514 
1 1 1   -7    6   54 o  388.293   7.9282  1024.52   41.717  1024.52   41.717   0.0000   0.0000  388.293   7.9282  ?   ?       ?      ? 
1 1 1   -7    6   55 o  384.624   5.5873  1004.17   29.103  960.564   40.388  1051.28   41.975  375.944   7.9276  393.304   7.8756 -17.35956 11.17459 
1 1 1   -7    6   56 o  247.178   5.9524  428.930   18.797  372.222   31.255  461.064   23.528  233.796   9.8651  260.560   6.6634 -26.76372 11.90471 
1 1 1   -7    6   57 o  184.411   6.6165  230.973   16.535  230.973   16.535   0.0000   0.0000  184.411   6.6165  ?   ?       ?      ? 
1 1 1   -7    6   58 o  118.836   5.0167   95.971   8.0779   95.379   11.491   96.550   11.358  118.470   7.1573  119.201   7.0316 -0.7309570 10.03349 
1 1 1   -7    6   59 o  254.356   4.8279  439.287   16.629  416.079   23.204  463.790   23.843  247.445   6.9198  261.267   6.7342 -13.82213 9.655746 
1 1 1   -7    6   60 o  258.165   4.8481  452.900   16.960  446.053   23.843  459.912   24.129  256.189   6.8677  260.141   6.8447 -3.951935 9.696135 
1 1 1   -7    6   61 o  115.318   6.7060   88.781   9.6205   86.063   11.434   95.370   17.801  112.489   7.5009  118.148   11.118 -5.659378 13.41205 
1 1 1   -7    6   62 o   57.974   10.370   21.514   7.4746   18.171   8.7306   30.693   14.465   50.524   12.751   65.425   16.359 -14.90046 20.74096 
1 1 1   -7    6   63 o   77.889   8.0451   44.538   7.7322   51.822   9.9439   33.398   12.297   87.226   8.4126   68.553   13.716 18.67240 16.09023 
1 1 1   -7    6   64 f  324.991   5.2611  717.364   23.148  678.600   31.985  759.994   33.542  315.784   7.4744  334.199   7.4062 -18.41516 10.52229 
1 1 1   -7    6   65 o  161.388   4.9239  177.135   10.766  182.370   15.341  172.055   15.113  163.742   6.9139  159.035   7.0127 4.706680 9.847851 
1 1 1   -7    6   66 o  127.545   5.1948  110.672   8.9738  115.940   12.837  105.638   12.549  130.518   7.2581  124.571   7.4340 5.947174 10.38961 
1 1 1   -7    6   67 o  188.308   4.8408  240.879   12.338  257.840   17.814  225.240   17.106  194.680   6.7525  181.936   6.9380 12.74313 9.681544 
1 1 1   -7    6   68 o  139.259   6.3347  131.605   11.063  134.479   19.939  130.327   13.298  140.156   10.498  138.362   7.0925 1.794525 12.66934 
1 1 1   -7    6   69 o  109.902   7.0075   80.454   9.7272   88.693   17.601   76.831   11.671  113.669   11.427  106.135   8.1149 7.533211 14.01496 
1 1 1   -7    6   70 o  166.168   4.9899  188.151   11.232  185.837   16.051  190.371   15.722  165.152   7.1720  167.184   6.9396 -2.031860 9.979714 
1 1 1   -7    6   71 o  209.208   5.9972  303.216   16.019  286.312   27.336  312.057   19.770  204.395   9.8692  214.021   6.8165 -9.626709 11.99436 
1 1 1   -7    6   72 o  231.369   4.9587  364.086   15.513  331.636   21.404  399.993   22.516  220.505   7.1630  242.233   6.8591 -21.72783 9.917475 
1 1 1   -7    6   73 o  363.390   7.9134  902.770   38.969  902.770   38.969   0.0000   0.0000  363.390   7.9134  ?   ?       ?      ? 
1 1 1   -7    6   74 o  222.339   4.9349  337.287   14.857  319.091   20.726  356.521   21.309  216.151   7.0758  228.526   6.8807 -12.37512 9.869733 
1 1 1   -7    6   75 o  139.659   5.1765  133.312   9.7931  128.975   13.643  137.921   14.065  137.316   7.3320  142.002   7.3092 -4.686295 10.35290 
1 1 1   -7    6   76 o  106.086   7.5703   80.905   9.8211   85.420   11.812   70.794   17.676  111.610   7.8098  100.561   12.971 11.04932 15.14066 
1 1 1   -7    6   77 o  118.057   5.4148   95.700   8.6536   90.389   12.207  101.065   12.269  114.724   7.8517  121.390   7.4586 -6.665581 10.82961 
1 1 1   -7    6   78 o   54.762   9.7050   21.894   7.0543   21.434   9.0014   22.625   11.357   54.190   12.511   55.334   14.840 -1.144581 19.40992 
1 1 1   -7    6   79 o   65.906   8.5497   29.416   7.3057   23.790   9.1492   39.314   12.136   57.100   12.195   74.712   11.987 -17.61172 17.09941 
1 1 1   -7    6   80 f  123.166   5.2501  104.637   8.7516  109.976   12.327   99.210   12.427  126.399   7.1966  119.933   7.6462 6.466698 10.50024 
1 1 1   -7    6   81 o  115.032   5.3880   91.334   8.3608   80.061   11.593  103.555   12.070  107.541   7.9546  122.522   7.2695 -14.98032 10.77595 
1 1 1   -7    6   82 o  124.552   5.2959  107.271   8.8955  121.884   12.828   93.733   12.346  132.840   7.1258  116.263   7.8363 16.57716 10.59174 
1 1 1   -7    6   83 o   77.972   9.3008   42.703   9.8275   0.0000   0.0000   42.703   9.8275  ?   ?    77.972   9.3008      ?      ? 
1 1 1   -7    6   84 o   89.505   8.6739   56.198   10.521   0.0000   0.0000   56.198   10.521  ?   ?    89.505   8.6739      ?      ? 
1 1 1   -7    6   85 o   39.366   9.8450   8.1632   6.5950   18.333   11.292   2.8988   8.1245   48.777   15.329   29.955   12.358 18.82283 19.68993 
1 1 1   -7    6   86 o  115.963   6.6388   96.055   9.8560   94.320   16.826   96.962   12.161  114.223   10.871  117.703   7.6240 -3.480362 13.27759 
1 1 1   -7    6   87 o   75.501   8.0201   39.836   7.9233   48.970   13.488   35.024   9.7905   81.366   12.233   69.637   10.375 11.72899 16.04022 
1 1 1   -7    6   88 o   65.649   11.257   34.070   9.9015   26.725   12.936   44.461   15.387   57.097   16.050   74.200   15.788 -17.10313 22.51341 
1 1 1   -7    6   89 o   87.745   9.2333   56.967   10.846   48.928   14.094   68.640   16.983   80.426   12.931   95.065   13.183 -14.63850 18.46654 
1 1 1   -7    6   90 o   30.600   9.6801  -1.3332   8.0925   0.2692   10.217  -4.0318   13.258   30.043   13.156   31.157   14.204 -1.114725 19.36024 
1 1 1   -7    6   91 o   31.341   13.505   1.9189   10.410   1.9189   10.410   0.0000   0.0000   31.341   13.505  ?   ?       ?      ? 
1 1 1   -7    6   92 o   69.019   14.662   38.866   13.290   38.866   13.290   0.0000   0.0000   69.019   14.662  ?   ?       ?      ? 
1 1 1   -7    6   93 o   27.802   12.745  -4.1255   10.870  -4.1255   10.870   0.0000   0.0000   27.802   12.745  ?   ?       ?      ? 
1 1 1   -7    6   94 o   53.761   16.728   25.787   13.486   25.787   13.486   0.0000   0.0000   53.761   16.728  ?   ?       ?      ? 
1 1 1   -7    7    1 o  714.710   10.280  3504.41   94.817  3350.48  158.925  3589.49  118.147  702.138   16.703  727.281   11.988 -25.14301 20.55934 
1 1 1   -7    7    2 o  960.383   13.333  6260.70  163.544  6312.68  283.908  6234.88  200.074  962.745   21.761  958.022   15.411 4.722168 26.66553 
1 1 1   -7    7    3 o  1151.40   15.790  8956.69  230.862  9246.28  407.628  8819.93  280.117  1163.92   25.844  1138.87   18.150 25.05200 31.58070 
1 1 1   -7    7    4 o  1005.62   14.029  7024.23  183.745  6325.25  296.361  7460.71  234.189  963.473   22.699  1047.77   16.494 -84.29974 28.05829 
1 1 1   -7    7    5 o  979.042   15.731  6529.79  208.705  6543.69  294.449  6515.76  295.862  980.107   22.169  977.976   22.324 2.130249 31.46203 
1 1 1   -7    7    6 o  753.854   12.476  3850.17  127.227  4124.29  186.458  3611.34  174.037  778.872   17.666  728.836   17.621 50.03644 24.95144 
1 1 1   -7    7    7 o  622.198   10.632  2627.11   89.602  2746.05  128.728  2515.33  124.797  635.857   14.939  608.540   15.133 27.31696 21.26498 
1 1 1   -7    7    8 o  784.658   11.172  4241.37  113.489  3977.35  187.900  4393.00  142.396  764.838   18.129  804.478   13.062 -39.64032 22.34435 
1 1 1   -7    7    9 o  1055.82   14.579  7626.73  197.656  7715.07  244.120  7458.61  336.787  1065.50   16.907  1046.14   23.756 19.35730 29.15848 
1 1 1   -7    7   10 o  1128.46   15.536  8764.75  226.163  8991.14  281.850  8355.43  378.986  1150.04   18.085  1106.89   25.266 43.14246 31.07154 
1 1 1   -7    7   11 o  773.055   11.031  4095.30  109.891  4180.01  136.573  3939.74  185.072  784.796   12.842  761.314   17.939 23.48187 22.06155 
1 1 1   -7    7   12 o  501.993   7.7215  1677.65   49.159  1622.32   59.330  1798.82   87.802  489.130   8.9509  514.857   12.584 -25.72629 15.44303 
1 1 1   -7    7   13 o  618.075   14.835  2593.79  124.257   0.0000   0.0000  2593.79  124.257  ?   ?   618.075   14.835      ?      ? 
1 1 1   -7    7   14 o  797.643   11.470  4437.89  119.864  4893.34  156.147  3784.48  187.027  849.101   13.570  746.184   18.496 102.9170 22.94024 
1 1 1   -7    7   15 o  1063.99   14.667  7318.78  192.039  6838.35  224.835  8614.71  369.265  1003.38   16.535  1124.61   24.230 -121.2252 29.33455 
1 1 1   -7    7   16 o  1021.66   16.401  7106.12  227.077  7099.50  320.829  7112.77  321.444  1021.19   23.184  1022.14   23.207 -0.9493408 32.80297 
1 1 1   -7    7   17 o  801.078   18.678  4361.32  202.758   0.0000   0.0000  4361.32  202.758  ?   ?   801.078   18.678      ?      ? 
1 1 1   -7    7   18 o  473.493   6.1515  1518.59   39.452  1468.36   54.796  1572.66   56.847  465.371   8.6889  481.615   8.7101 -16.24463 12.30294 
1 1 1   -7    7   19 o  881.347   12.417  5286.43  139.857  5248.19  241.618  5305.69  171.510  878.561   20.294  884.133   14.315 -5.572327 24.83498 
1 1 1   -7    7   20 o  560.589   8.5454  2134.82   61.082  2123.44  106.062  2140.47   74.716  559.352   13.992  561.826   9.8137 -2.473633 17.09082 
1 1 1   -7    7   21 f  489.687   6.3014  1624.13   41.793  1569.11   57.990  1683.59   60.286  481.068   8.8954  498.307   8.9277 -17.23944 12.60287 
1 1 1   -7    7   22 o  505.574   6.4403  1731.34   44.101  1794.68   63.579  1672.60   61.225  514.476   9.1193  496.671   9.0966 17.80496 12.88059 
1 1 1   -7    7   23 o  252.179   4.5071  430.011   15.379  463.893   22.322  399.394   21.219  261.613   6.2964  242.744   6.4506 18.86961 9.014123 
1 1 1   -7    7   24 o  201.113   4.3150  274.136   11.760  276.194   16.664  272.093   16.598  201.866   6.0917  200.361   6.1131 1.504547 8.630058 
1 1 1   -7    7   25 f  521.201   6.5979  1840.95   46.587  1793.71   64.973  1890.94   66.835  514.324   9.3221  528.078   9.3395 -13.75397 13.19582 
1 1 1   -7    7   26 o  778.235   12.868  4091.12  135.253  3820.42  182.360  4422.10  201.644  749.823   17.947  806.646   18.447 -56.82269 25.73660 
1 1 1   -7    7   27 o  635.786   10.890  2740.53   93.749  2883.80  135.586  2609.30  129.767  651.686   15.353  619.886   15.448 31.79962 21.77962 
1 1 1   -7    7   28 o  292.633   9.3947  580.714   37.255  580.714   37.255   0.0000   0.0000  292.633   9.3947  ?   ?       ?      ? 
1 1 1   -7    7   29 o  236.816   4.5139  380.147   14.486  378.511   20.473  381.787   20.500  236.306   6.3932  237.327   6.3742 -1.020798 9.027889 
1 1 1   -7    7   30 o  364.843   7.5402  902.447   37.280  902.447   37.280   0.0000   0.0000  364.843   7.5402  ?   ?       ?      ? 
1 1 1   -7    7   31 f  561.803   6.9909  2139.90   53.211  2187.17   76.250  2095.03   74.292  567.846   9.9089  555.760   9.8644 12.08704 13.98186 
1 1 1   -7    7   32 o  238.394   4.6016  385.275   14.860  370.909   20.926  399.885   21.104  233.909   6.6018  242.878   6.4119 -8.968613 9.203103 
1 1 1   -7    7   33 o  375.016   7.6806  953.599   39.033  953.599   39.033   0.0000   0.0000  375.016   7.6806  ?   ?       ?      ? 
1 1 1   -7    7   34 o  647.015   11.016  2818.09   96.100  3135.85  144.993  2569.14  128.337  679.208   15.753  614.821   15.404 64.38654 22.03237 
1 1 1   -7    7   35 o  931.707   21.340  5918.31  269.431  5918.31  269.431   0.0000   0.0000  931.707   21.340  ?   ?       ?      ? 
1 1 1   -7    7   36 o  607.260   10.550  2502.56   86.816  2502.56   86.816   0.0000   0.0000  607.260   10.550  ?   ?       ?      ? 
1 1 1   -7    7   37 o  306.523   10.178  637.609   42.277  637.609   42.277   0.0000   0.0000  306.523   10.178  ?   ?       ?      ? 
1 1 1   -7    7   38 o  159.401   5.6769  162.310   11.379  199.307   21.202  147.341   13.486  171.393   9.1286  147.410   6.7512 23.98311 11.35385 
1 1 1   -7    7   39 o  291.270   6.9680  575.323   27.503  575.323   27.503   0.0000   0.0000  291.270   6.9680  ?   ?       ?      ? 
1 1 1   -7    7   40 o  313.640   5.0328  666.956   21.386  647.822   29.980  686.779   30.516  309.060   7.1582  318.220   7.0764 -9.160309 10.06555 
1 1 1   -7    7   41 o  407.432   5.7038  1125.43   31.480  1086.71   43.869  1166.53   45.199  400.212   8.0889  414.653   8.0438 -14.44089 11.40753 
1 1 1   -7    7   42 f  363.243   5.3923  894.836   26.538  916.277   37.952  874.320   37.123  367.500   7.6206  358.987   7.6311 8.513245 10.78460 
1 1 1   -7    7   43 o  572.758   8.6738  2152.07   62.263  2033.86   74.054  2437.18  115.007  547.220   9.9864  598.296   14.185 -51.07605 17.34755 
1 1 1   -7    7   44 o  338.628   7.4093  778.081   34.000  778.081   34.000   0.0000   0.0000  338.628   7.4093  ?   ?       ?      ? 
1 1 1   -7    7   45 o  270.478   4.8186  496.357   17.661  491.014   24.958  501.716   24.995  269.018   6.8462  271.937   6.7828 -2.919342 9.637264 
1 1 1   -7    7   46 o  337.326   5.2167  772.065   23.842  752.755   33.423  792.073   34.021  333.031   7.4060  341.622   7.3489 -8.591187 10.43336 
1 1 1   -7    7   47 o  299.379   4.9712  608.258   20.167  610.810   28.681  605.763   28.364  299.999   7.0549  298.760   7.0058 1.238739 9.942447 
1 1 1   -7    7   48 o  245.732   6.7091  409.797   22.341  409.797   22.341   0.0000   0.0000  245.732   6.7091  ?   ?       ?      ? 
1 1 1   -7    7   49 o  195.437   4.6183  259.225   12.229  258.945   17.465  259.495   17.129  195.330   6.5980  195.544   6.4639 -0.2138367 9.236659 
1 1 1   -7    7   50 o  306.658   6.2147  649.335   24.452  606.630   41.219  672.524   30.373  298.591   10.187  314.726   7.1216 -16.13535 12.42930 
1 1 1   -7    7   51 o  178.721   5.7425  219.845   13.017  208.923   22.560  225.296   15.938  175.258   9.4989  182.185   6.4557 -6.927185 11.48502 
1 1 1   -7    7   52 o  431.208   5.9541  1263.13   34.781  1299.25   49.946  1229.12   48.464  437.188   8.4304  425.229   8.4103 11.95874 11.90813 
1 1 1   -7    7   53 o  347.203   7.5676  819.066   35.606  819.066   35.606   0.0000   0.0000  347.203   7.5676  ?   ?       ?      ? 
1 1 1   -7    7   54 o  402.230   11.545  1103.70   62.929  1103.70   62.929   0.0000   0.0000  402.230   11.545  ?   ?       ?      ? 
1 1 1   -7    7   55 o  319.091   5.1841  691.050   22.402  716.875   32.389  667.363   31.019  324.796   7.3587  313.386   7.3040 11.41028 10.36821 
1 1 1   -7    7   56 o  370.697   7.7946  934.313   39.156  934.313   39.156   0.0000   0.0000  370.697   7.7946  ?   ?       ?      ? 
1 1 1   -7    7   57 o   85.157   6.1312   49.195   7.0271   57.681   10.253   41.678   9.6500   92.079   8.2169   78.234   9.1022 13.84481 12.26246 
1 1 1   -7    7   58 o  205.795   4.7034  287.702   13.116  292.180   18.717  283.382   18.384  207.367   6.6607  204.223   6.6427 3.144455 9.406898 
1 1 1   -7    7   59 o  134.875   4.9632  123.650   9.0706  121.265   12.768  126.081   12.889  133.559   7.0543  136.190   6.9837 -2.630600 9.926489 
1 1 1   -7    7   60 o  203.831   6.0393  287.328   15.456  295.055   18.770  271.057   27.237  208.357   6.6478  199.306   10.085 9.050598 12.07863 
1 1 1   -7    7   61 o  166.294   4.7837  187.960   10.778  189.729   15.434  186.276   15.057  167.053   6.8180  165.535   6.7120 1.518555 9.567424 
1 1 1   -7    7   62 o   41.553   9.7052   10.026   6.4407   5.5913   8.2750   16.842   10.258   34.047   12.957   49.059   14.453 -15.01259 19.41039 
1 1 1   -7    7   63 o  196.827   6.8266  263.469   18.208  263.469   18.208   0.0000   0.0000  196.827   6.8266  ?   ?       ?      ? 
1 1 1   -7    7   64 o  252.501   7.0398  433.777   24.088  433.777   24.088   0.0000   0.0000  252.501   7.0398  ?   ?       ?      ? 
1 1 1   -7    7   65 o   92.712   6.1529   59.091   7.6215   47.545   10.731   70.843   10.827   83.442   9.4899  101.981   7.8342 -18.53823 12.30577 
1 1 1   -7    7   66 o  252.213   4.9496  432.961   16.916  430.659   24.030  435.221   23.816  251.541   7.0495  252.885   6.9496 -1.344727 9.899157 
1 1 1   -7    7   67 o  268.213   7.1877  489.869   26.125  489.869   26.125   0.0000   0.0000  268.213   7.1877  ?   ?       ?      ? 
1 1 1   -7    7   68 o  131.250   6.7706  120.270   11.046  111.540   19.711  124.268   13.337  127.446   11.413  135.055   7.2874 -7.609093 13.54114 
1 1 1   -7    7   69 o  217.148   5.9884  319.996   16.542  328.064   29.049  316.124   20.124  218.868   9.7941  215.427   6.8934 3.441315 11.97682 
1 1 1   -7    7   70 o  174.858   4.9576  208.590   11.736  199.919   16.687  217.079   16.510  171.232   7.1913  178.485   6.8261 -7.252899 9.915133 
1 1 1   -7    7   71 o  120.541   5.4096   99.166   8.8226  107.055   12.649   91.690   12.312  125.231   7.4533  115.851   7.8425 9.380440 10.81924 
1 1 1   -7    7   72 o   59.555   8.3799   25.480   6.5932   18.972   9.4623   31.622   9.1920   51.298   13.448   67.812   10.003 -16.51392 16.75988 
1 1 1   -7    7   73 o  132.814   5.2445  120.531   9.4119  108.527   13.106  133.313   13.525  125.947   7.6790  139.681   7.1450 -13.73357 10.48899 
1 1 1   -7    7   74 o  122.320   6.8523   98.702   10.516   92.022   12.496  114.919   19.470  115.868   7.9581  128.771   11.157 -12.90328 13.70460 
1 1 1   -7    7   75 o   77.740   6.8316   41.786   7.1662   37.095   10.057   46.624   10.214   73.228   10.135   82.251   9.1637 -9.022461 13.66313 
1 1 1   -7    7   76 o   85.346   6.4196   50.755   7.2923   39.743   10.260   62.000   10.367   75.732   9.9970   94.960   8.0563 -19.22823 12.83912 
1 1 1   -7    7   77 o  227.368   4.9206  353.873   15.138  327.583   20.946  382.620   21.903  218.499   7.0740  236.237   6.8418 -17.73784 9.841287 
1 1 1   -7    7   78 o   89.377   7.4405   58.347   8.4688   65.337   10.754   46.937   13.740   97.288   8.1574   81.466   12.446 15.82157 14.88098 
1 1 1   -7    7   79 o  103.194   5.7320   73.683   7.9708   84.032   11.443   63.930   11.109  110.350   7.6525   96.037   8.5359 14.31254 11.46396 
1 1 1   -7    7   80 o   97.801   5.7631   66.315   7.6374   66.744   10.879   65.898   10.725   98.104   8.1831   97.498   8.1171 0.6059647 11.52613 
1 1 1   -7    7   81 o   86.133   6.1581   51.753   7.1876   52.374   10.200   51.139   10.130   86.654   8.6860   85.613   8.7316 1.040718 12.31616 
1 1 1   -7    7   82 o   67.684   9.1434   34.776   7.6484   30.946   13.259   36.686   9.3635   63.200   15.580   72.167   9.5745 -8.967339 18.28683 
1 1 1   -7    7   83 o   50.669   12.706   19.416   8.7086   0.0000   0.0000   19.416   8.7086  ?   ?    50.669   12.706      ?      ? 
1 1 1   -7    7   84 o   56.485   9.8502   24.022   7.1539   26.569   12.529   22.789   8.7141   57.952   15.606   55.018   12.024 2.933281 19.70036 
1 1 1   -7    7   85 o   67.276   9.0500   34.727   7.5085   31.974   13.107   36.073   9.1606   63.407   15.406   71.146   9.5015 -7.738766 18.10005 
1 1 1   -7    7   86 o   52.260   11.976   22.078   9.6213   21.873   12.632   22.362   14.848   52.080   16.188   52.439   17.655 -0.3588028 23.95275 
1 1 1   -7    7   87 o   45.507   11.705   15.590   9.2569   15.815   11.999   15.259   14.548   45.363   15.852   45.652   17.226 -0.2892761 23.40983 
1 1 1   -7    7   88 o   67.723   11.307   35.822   10.156   26.617   12.956   50.496   16.359   56.659   16.110   78.787   15.871 -22.12745 22.61458 
1 1 1   -7    7   89 o   56.563   11.750   26.393   9.4706   23.089   12.235   31.333   14.959   52.756   15.842   60.370   17.358 -7.613415 23.50090 
1 1 1   -7    7   90 o   39.846   11.087   10.274   8.6459   9.3342   11.168   11.679   13.659   38.118   14.907   41.575   16.416 -3.456738 22.17419 
1 1 1   -7    7   91 o   74.852   13.794   44.700   13.477   44.700   13.477   0.0000   0.0000   74.852   13.794  ?   ?       ?      ? 
1 1 1   -7    7   92 o   32.078   13.872   2.3980   11.063   2.3980   11.063   0.0000   0.0000   32.078   13.872  ?   ?       ?      ? 
1 1 1   -7    7   93 o   48.088   16.225   20.067   12.541   20.067   12.541   0.0000   0.0000   48.088   16.225  ?   ?       ?      ? 
1 1 1   -7    7   94 f   66.629   15.724   38.769   13.968   38.769   13.968   0.0000   0.0000   66.629   15.724  ?   ?       ?      ? 
1 1 1   -7    8    1 f  433.216   7.1709  1274.11   39.410  1276.62   47.967  1268.88   69.136  433.942   8.1569  432.491   11.796 1.451294 14.34177 
1 1 1   -7    8    2 o  471.964   12.467  1511.28   79.734   0.0000   0.0000  1511.28   79.734  ?   ?   471.964   12.467      ?      ? 
1 1 1   -7    8    3 o  339.807   7.1487  782.722   32.919   0.0000   0.0000  782.722   32.919  ?   ?   339.807   7.1487      ?      ? 
1 1 1   -7    8    4 o  321.742   6.9674  701.693   30.378   0.0000   0.0000  701.693   30.378  ?   ?   321.742   6.9674      ?      ? 
1 1 1   -7    8    5 o  487.582   6.2685  1611.60   41.414  1640.70   59.015  1583.36   58.132  491.918   8.8529  483.246   8.8770 8.672760 12.53694 
1 1 1   -7    8    6 o  410.915   5.6189  1142.48   31.258  1091.55   43.081  1199.11   45.423  401.263   7.9227  420.568   7.9699 -19.30542 11.23786 
1 1 1   -7    8    7 o  739.399   8.6826  3708.99   86.997  3691.76  122.629  3726.45  123.439  737.672   12.267  741.127   12.291 -3.455566 17.36510 
1 1 1   -7    8    8 o  834.127   13.684  4721.78  154.672   0.0000   0.0000  4721.78  154.672  ?   ?   834.127   13.684      ?      ? 
1 1 1   -7    8    9 o  669.062   9.7405  3038.06   83.460  3038.28  102.472  3037.63  143.842  669.273   11.299  668.850   15.870 0.4226685 19.48097 
1 1 1   -7    8   10 o  351.684   5.8031  819.834   24.060  801.426   27.698  876.427   48.565  343.867   5.9439  359.500   9.9687 -15.63327 11.60622 
1 1 1   -7    8   11 o  159.430   4.5884  168.974   8.9430  164.797   10.509  179.941   17.028  155.938   4.9732  162.922   7.7124 -6.983643 9.176794 
1 1 1   -7    8   12 o  499.279   7.3587  1725.05   43.929  1765.80   51.549  1616.95   83.955  510.380   7.4533  488.179   12.691 22.20096 14.71744 
1 1 1   -7    8   13 o  571.868   8.0832  2214.04   54.496  2209.67   63.044  2226.94  108.384  570.909   8.1488  572.827   13.962 -1.918335 16.16639 
1 1 1   -7    8   14 o  565.910   8.0224  2170.82   53.601  2169.32   62.076  2175.24  106.269  565.674   8.0979  566.146   13.851 -0.4725342 16.04489 
1 1 1   -7    8   15 o  732.596   9.8923  3578.12   84.342  3518.71   96.614  3768.45  172.916  720.339   9.8974  744.854   17.131 -24.51532 19.78454 
1 1 1   -7    8   16 o  309.879   5.9654  659.447   24.090  683.654   30.483  619.183   39.314  317.578   7.0831  302.179   9.6008 15.39859 11.93085 
1 1 1   -7    8   17 f  345.467   6.1893  793.196   27.513  760.452   33.632  859.438   47.836  334.934   7.4099  356.000   9.9157 -21.06668 12.37851 
1 1 1   -7    8   18 o  537.654   8.2275  1980.94   57.037  2028.31   70.988  1894.66   95.808  546.916   9.5781  528.393   13.380 18.52301 16.45502 
1 1 1   -7    8   19 o  487.652   12.421  1613.44   82.080  1613.44   82.080   0.0000   0.0000  487.652   12.421  ?   ?       ?      ? 
1 1 1   -7    8   20 o  566.277   8.5195  2136.10   61.108  2285.57  109.356  2068.24   73.686  580.299   13.906  552.254   9.8461 28.04559 17.03902 
1 1 1   -7    8   21 f  548.547   9.7038  2040.55   72.134   0.0000   0.0000  2040.55   72.134  ?   ?   548.547   9.7038      ?      ? 
1 1 1   -7    8   22 o  497.529   12.975  1679.81   87.479   0.0000   0.0000  1679.81   87.479  ?   ?   497.529   12.975      ?      ? 
1 1 1   -7    8   23 o  497.142   9.0529  1672.25   60.878  1597.84   83.086  1758.51   89.455  485.246   12.635  509.038   12.968 -23.79276 18.10574 
1 1 1   -7    8   24 o  550.050   8.4753  2053.57   59.400  2054.86   72.572  2050.97  103.389  550.443   9.7292  549.658   13.880 0.7847900 16.95051 
1 1 1   -7    8   25 o  244.802   4.5480  405.834   15.079  424.300   21.685  388.542   20.984  250.190   6.3959  239.414   6.4677 10.77556 9.096012 
1 1 1   -7    8   27 o  408.927   5.6696  1130.88   31.376  1064.15   43.150  1205.76   45.707  396.158   8.0376  421.695   7.9983 -25.53763 11.33913 
1 1 1   -7    8   28 o  543.104   6.8323  1999.56   50.270  1947.75   70.092  2054.44   72.136  535.864   9.6523  550.343   9.6725 -14.47900 13.66466 
1 1 1   -7    8   29 o  561.835   8.6207  2188.26   62.994  2323.91   80.126  1968.71  101.936  585.279   10.102  538.391   13.972 46.88849 17.24143 
1 1 1   -7    8   30 o  412.717   6.9445  1157.69   36.800  1148.91   62.974  1162.24   45.348  411.445   11.294  413.989   8.0833 -2.544495 13.88897 
1 1 1   -7    8   31 o  449.287   6.0205  1368.98   36.654  1350.74   51.627  1387.51   52.048  446.269   8.5368  452.304   8.4916 -6.035095 12.04094 
1 1 1   -7    8   32 o  307.821   4.9760  642.251   20.748  616.255   29.078  669.216   29.614  301.475   7.1175  314.167   6.9559 -12.69220 9.952085 
1 1 1   -7    8   33 o  512.019   6.5836  1774.70   45.631  1685.73   62.847  1873.89   66.359  498.478   9.3038  525.560   9.3173 -27.08261 13.16710 
1 1 1   -7    8   34 o  350.284   7.4865  832.089   35.537  832.089   35.537   0.0000   0.0000  350.284   7.4865  ?   ?       ?      ? 
1 1 1   -7    8   35 o  255.876   9.7357  444.311   33.758  444.311   33.758   0.0000   0.0000  255.876   9.7357  ?   ?       ?      ? 
1 1 1   -7    8   36 o  438.745   12.024  1307.62   71.491  1307.62   71.491   0.0000   0.0000  438.745   12.024  ?   ?       ?      ? 
1 1 1   -7    8   37 o  588.746   7.2994  2350.72   58.204  2268.84   80.717  2439.40   84.007  578.081   10.304  599.411   10.342 -21.32928 14.59881 
1 1 1   -7    8   38 o  295.922   4.9511  593.537   19.848  609.860   28.531  578.231   27.628  299.861   7.0213  291.983   6.9826 7.877563 9.902246 
1 1 1   -7    8   39 o  242.913   4.6862  400.091   15.423  405.269   22.085  395.161   21.548  244.445   6.6670  241.381   6.5875 3.064819 9.372485 
1 1 1   -7    8   40 o  422.566   7.0910  1226.89   38.781  1262.62   48.550  1163.92   64.461  431.323   8.3063  413.810   11.495 17.51245 14.18209 
1 1 1   -7    8   41 o  518.857   9.4529  1828.30   66.466  1828.30   66.466   0.0000   0.0000  518.857   9.4529  ?   ?       ?      ? 
1 1 1   -7    8   42 o  112.185   7.1794   87.579   9.8592   90.527   11.771   80.650   18.047  115.497   7.5208  108.874   12.232 6.623207 14.35885 
1 1 1   -7    8   43 o  282.396   6.9344  541.123   26.537  541.123   26.537   0.0000   0.0000  282.396   6.9344  ?   ?       ?      ? 
1 1 1   -7    8   44 o  187.732   4.6049  239.293   11.706  230.374   16.639  248.032   16.472  184.260   6.6639  191.203   6.3571 -6.943665 9.209775 
1 1 1   -7    8   45 f  147.658   4.6628  147.911   9.3234  148.971   13.465  146.934   12.922  148.163   6.7065  147.154   6.4800 1.008896 9.325650 
1 1 1   -7    8   46 o  243.761   6.7344  403.279   22.246  403.279   22.246   0.0000   0.0000  243.761   6.7344  ?   ?       ?      ? 
1 1 1   -7    8   47 o  403.092   5.7176  1103.65   31.230  1111.15   44.493  1096.37   43.845  404.438   8.1181  401.747   8.0535 2.690125 11.43512 
1 1 1   -7    8   48 o  408.046   11.497  1134.33   63.573  1134.33   63.573   0.0000   0.0000  408.046   11.497  ?   ?       ?      ? 
1 1 1   -7    8   49 o  258.414   5.8927  455.725   19.459  448.129   33.537  459.581   23.891  256.651   9.6426  260.177   6.7763 -3.525787 11.78550 
1 1 1   -7    8   50 o  229.310   4.7131  356.767   14.640  367.227   21.045  346.957   20.380  232.564   6.6777  226.056   6.6529 6.507675 9.426146 
1 1 1   -7    8   51 o  248.955   4.7872  420.945   16.141  402.737   22.739  439.437   22.916  243.518   6.8907  254.392   6.6474 -10.87402 9.574428 
1 1 1   -7    8   52 o  336.178   6.4502  755.373   27.398  806.731   49.227  732.323   32.979  344.065   10.558  328.291   7.4129 15.77411 12.90039 
1 1 1   -7    8   53 o  281.660   4.9764  539.169   18.986  531.519   27.145  546.495   26.565  279.690   7.1618  283.630   6.9115 -3.939972 9.952897 
1 1 1   -7    8   54 f  193.400   4.6657  254.107   12.225  247.923   17.293  260.285   17.285  191.041   6.6798  195.758   6.5159 -4.717041 9.331491 
1 1 1   -7    8   55 o   90.754   5.7786   56.121   7.0950   53.758   10.183   58.351   9.8908   88.881   8.4546   92.626   7.8798 -3.744904 11.55729 
1 1 1   -7    8   56 o  267.731   4.9008  487.166   17.774  469.676   25.031  504.954   25.243  262.872   7.0267  272.589   6.8336 -9.716553 9.801698 
1 1 1   -7    8   57 o  121.801   5.1511  100.239   8.4556  116.301   12.464   86.542   11.509  130.799   7.0317  112.803   7.5292 17.99527 10.30211 
1 1 1   -7    8   58 o  209.087   5.9625  298.172   15.802  299.085   19.227  296.271   27.737  209.764   6.7641  208.409   9.8211 1.355042 11.92506 
1 1 1   -7    8   59 o  177.192   4.8400  213.346   11.537  180.352   15.972  249.343   16.684  162.839   7.2382  191.545   6.4274 -28.70615 9.679997 
1 1 1   -7    8   60 o  250.459   4.8836  426.592   16.574  422.749   23.467  430.418   23.413  249.328   6.9455  251.590   6.8672 -2.261887 9.767213 
1 1 1   -7    8   61 o  186.831   5.7786  243.890   14.030  262.799   17.919  213.940   22.552  196.589   6.7263  177.074   9.3982 19.51447 11.55724 
1 1 1   -7    8   62 f  102.925   6.0070   72.037   8.2196   92.353   12.079   54.516   11.217  116.467   7.6532   89.383   9.2609 27.08389 12.01399 
1 1 1   -7    8   63 o  155.750   4.9937  164.510   10.514  181.655   15.328  149.277   14.449  163.401   6.9223  148.100   7.1993 15.30130 9.987372 
1 1 1   -7    8   64 o  232.593   4.8797  368.217   15.377  362.034   21.846  374.289   21.648  230.645   6.9895  234.542   6.8111 -3.897171 9.759344 
1 1 1   -7    8   65 o  196.339   4.9131  261.792   13.056  279.456   18.964  245.876   18.001  202.626   6.9065  190.052   6.9894 12.57378 9.826107 
1 1 1   -7    8   66 o  292.423   7.3355  582.563   29.069  582.563   29.069   0.0000   0.0000  292.423   7.3355  ?   ?       ?      ? 
1 1 1   -7    8   67 o   93.306   8.5687   59.462   10.834   0.0000   0.0000   59.462   10.834  ?   ?    93.306   8.5687      ?      ? 
1 1 1   -7    8   68 o  172.984   6.1400  199.187   13.326  218.792   24.397  190.850   15.909  178.625   10.079  167.343   7.0156 11.28223 12.28005 
1 1 1   -7    8   69 o  185.425   4.9716  234.618   12.482  224.569   17.702  244.554   17.603  181.445   7.1996  189.405   6.8581 -7.960175 9.943210 
1 1 1   -7    8   70 o  164.733   5.0462  185.454   11.208  162.185   15.682  209.744   16.023  154.093   7.5101  175.372   6.7421 -21.27885 10.09245 
1 1 1   -7    8   71 o  215.540   4.9193  317.022   14.365  326.824   20.576  307.703   20.063  218.792   6.9397  212.288   6.9742 6.504791 9.838639 
1 1 1   -7    8   72 o  148.356   6.4740  142.748   11.994  130.613   14.154  173.648   22.586  138.151   7.5604  158.561   10.511 -20.40985 12.94791 
1 1 1   -7    8   73 o  268.573   6.4015  489.789   21.621  478.714   25.979  514.742   38.996  264.457   7.2492  272.689   10.553 -8.232422 12.80297 
1 1 1   -7    8   74 o  170.658   5.0128  199.608   11.584  191.274   16.428  207.850   16.336  167.069   7.2559  174.247   6.9183 -7.177917 10.02556 
1 1 1   -7    8   75 o  111.458   7.8520   85.419   11.860   85.419   11.860   0.0000   0.0000  111.458   7.8520  ?   ?       ?      ? 
1 1 1   -7    8   76 o   90.209   6.0918   56.284   7.4382   54.819   10.688   57.660   10.358   89.019   8.8603   91.399   8.3627 -2.380325 12.18360 
1 1 1   -7    8   77 o   93.660   7.1096   63.603   8.6162   72.523   11.218   50.772   13.454  102.467   8.0791   84.852   11.701 17.61503 14.21910 
1 1 1   -7    8   78 o  144.806   6.2373  151.694   11.604  170.161   14.875  122.979   18.548  157.210   6.9822  132.402   10.338 24.80789 12.47469 
1 1 1   -7    8   79 o  171.249   4.9485  202.397   11.464  187.850   16.136  217.222   16.290  164.935   7.2193  177.563   6.7699 -12.62756 9.896967 
1 1 1   -7    8   80 o   46.848   8.0058   17.022   6.9830 -10.5163   12.078   30.848   8.5583   27.434   12.866   66.262   9.5311 -38.82767 16.01167 
1 1 1   -7    8   81 o   82.569   7.7422   48.059   8.0913   50.469   14.360   46.937   9.7940   83.330   12.717   81.808   8.8345 1.521439 15.48438 
1 1 1   -7    8   82 o   60.687   11.320   27.236   8.9668   0.0000   0.0000   27.236   8.9668  ?   ?    60.687   11.320      ?      ? 
1 1 1   -7    8   83 o   33.922   12.835   6.8197   8.0911   0.0000   0.0000   6.8197   8.0911  ?   ?    33.922   12.835      ?      ? 
1 1 1   -7    8   84 o  111.281   6.9628   89.902   9.8010   84.934   16.918   92.412   12.025  107.781   11.583  114.782   7.7306 -7.000633 13.92564 
1 1 1   -7    8   85 o   95.190   8.9839   67.278   11.471   64.977   15.096   70.422   17.645   93.834   11.872   96.546   13.487 -2.711525 17.96783 
1 1 1   -7    8   86 o   65.546   11.507   34.208   10.049   28.435   12.901   43.115   16.024   58.899   15.825   72.193   16.710 -13.29377 23.01406 
1 1 1   -7    8   87 o   73.701   10.967   43.090   10.440   38.501   13.404   50.165   16.644   69.294   14.728   78.108   16.254 -8.814240 21.93432 
1 1 1   -7    8   88 o   49.739   11.125   20.668   9.3859   29.602   12.136   7.3701   14.806   60.192   14.947   39.287   16.482 20.90453 22.24997 
1 1 1   -7    8   89 o   28.849   9.4139  -5.5010   8.3156  -6.8032   10.593  -3.4103   13.422   26.219   12.215   31.479   14.328 -5.259632 18.82781 
1 1 1   -7    8   90 o   67.920   11.471   40.555   10.503   46.823   13.760   31.805   16.257   76.593   13.763   59.247   18.356 17.34621 22.94234 
1 1 1   -7    8   91 o   50.705   16.315   22.278   12.731   22.278   12.731   0.0000   0.0000   50.705   16.315  ?   ?       ?      ? 
1 1 1   -7    8   92 o   31.838   13.843   2.3453   11.137   2.3453   11.137   0.0000   0.0000   31.838   13.843  ?   ?       ?      ? 
1 1 1   -7    8   94 o   70.441   16.947   45.873   15.980   45.873   15.980   0.0000   0.0000   70.441   16.947  ?   ?       ?      ? 
1 1 1   -7    9    1 o  414.969   5.6677  1167.17   31.866  1155.73   44.539  1179.17   45.609  412.887   7.9602  417.050   8.0702 -4.162994 11.33548 
1 1 1   -7    9    2 o  184.597   4.2797  231.368   10.687  241.027   14.892  221.113   15.345  188.579   5.8274  180.616   6.2693 7.962433 8.559351 
1 1 1   -7    9    3 o  232.257   4.4414  365.883   13.969  376.082   19.583  355.317   19.932  235.556   6.1347  228.957   6.4240 6.598709 8.882732 
1 1 1   -7    9    4 o  214.644   4.3736  312.240   12.709  311.526   17.581  313.023   18.393  214.389   6.0515  214.900   6.3160 -0.5113831 8.747131 
1 1 1   -7    9    5 o  177.022   4.3435  211.673   10.392  203.001   14.093  222.008   15.385  173.063   6.0093  180.982   6.2730 -7.918396 8.686909 
1 1 1   -7    9    6 o  414.554   6.9284  1181.79   37.004  1220.93   46.131  1111.16   61.971  424.372   8.0217  404.736   11.299 19.63611 13.85687 
1 1 1   -7    9    7 o  561.325   8.4916  2133.65   60.956  2125.70   74.662  2149.54  105.561  559.875   9.8407  562.774   13.842 -2.898438 16.98324 
1 1 1   -7    9    8 o  348.216   6.2001  818.962   27.689  812.403   33.978  831.925   47.772  346.186   7.2428  350.246   10.065 -4.059784 12.40020 
1 1 1   -7    9    9 o  245.411   5.3704  406.622   16.978  402.989   20.931  413.612   29.032  243.834   6.3345  246.988   8.6741 -3.154663 10.74080 
1 1 1   -7    9   10 o  504.974   7.8639  1738.90   51.023  1759.16   63.048  1700.46   86.856  509.349   9.1342  500.600   12.803 8.748779 15.72775 
1 1 1   -7    9   11 o  493.403   7.2705  1642.13   42.278  1633.04   48.860  1669.23   84.347  490.814   7.3460  495.993   12.549 -5.179596 14.54108 
1 1 1   -7    9   12 o  559.137   8.4549  2062.32   59.724  1966.03   71.627  2282.02  108.189  538.430   9.8166  579.844   13.769 -41.41406 16.90980 
1 1 1   -7    9   13 o  440.733   7.2257  1330.26   41.293  1363.36   51.745  1272.22   68.519  448.420   8.5154  433.045   11.676 15.37466 14.45131 
1 1 1   -7    9   14 o  577.101   8.7699  2300.47   65.778  2416.05   83.281  2108.78  107.247  596.846   10.297  557.356   14.199 39.49017 17.53988 
1 1 1   -7    9   15 o  656.540   9.0783  2936.38   70.467  2948.20   81.768  2902.23  138.920  659.372   9.1510  653.709   15.682 5.662292 18.15658 
1 1 1   -7    9   16 o  557.241   7.9287  2062.28   51.456  2021.50   58.919  2193.36  105.636  546.044   7.9624  568.438   13.713 -22.39471 15.85739 
1 1 1   -7    9   17 o  424.463   6.9648  1208.71   37.754  1183.32   45.990  1261.20   66.114  417.765   8.1236  431.162   11.315 -13.39633 13.92951 
1 1 1   -7    9   18 o  405.505   6.3980  1107.06   30.703  1098.72   35.541  1131.58   60.956  402.599   6.5144  408.412   11.014 -5.812531 12.79609 
1 1 1   -7    9   19 o  466.078   6.9876  1450.11   38.298  1427.24   44.102  1520.26   77.236  458.836   7.0927  473.319   12.042 -14.48315 13.97514 
1 1 1   -7    9   20 o  220.791   5.2834  330.405   15.808  330.405   15.808   0.0000   0.0000  220.791   5.2834  ?   ?       ?      ? 
1 1 1   -7    9   22 o  663.754   11.282  2989.53  101.482   0.0000   0.0000  2989.53  101.482  ?   ?   663.754   11.282      ?      ? 
1 1 1   -7    9   23 o  298.114   4.8886  602.212   19.743  623.427   28.247  581.948   27.606  303.245   6.8738  292.982   6.9531 10.26358 9.777278 
1 1 1   -7    9   24 o  346.888   10.170  816.373   47.806   0.0000   0.0000  816.373   47.806  ?   ?   346.888   10.170      ?      ? 
1 1 1   -7    9   25 o  508.487   9.1325  1755.70   62.929  1752.13   88.956  1759.27   89.034  507.970   12.923  509.004   12.908 -1.034210 18.26502 
1 1 1   -7    9   26 o  766.595   18.149  3999.49  188.535  3999.49  188.535   0.0000   0.0000  766.595   18.149  ?   ?       ?      ? 
1 1 1   -7    9   27 o  533.575   9.6673  1933.81   69.896  1952.87   99.563  1915.28   98.149  536.164   13.703  530.985   13.640 5.179321 19.33463 
1 1 1   -7    9   28 o  409.270   7.0403  1116.08   36.362  1082.13   43.715  1192.30   65.507  399.450   8.0758  419.090   11.535 -19.63928 14.08067 
1 1 1   -7    9   29 o  724.571   12.179  3565.12  119.581  3565.12  119.581   0.0000   0.0000  724.571   12.179  ?   ?       ?      ? 
1 1 1   -7    9   31 o  462.058   6.1548  1448.42   38.538  1444.42   54.494  1452.42   54.509  461.419   8.7150  462.697   8.6934 -1.277435 12.30963 
1 1 1   -7    9   32 o  266.980   5.9189  481.621   19.963  488.896   35.467  478.247   24.153  268.391   9.7516  265.569   6.7113 2.821777 11.83786 
1 1 1   -7    9   33 o  443.830   12.127  1338.41   72.935  1338.41   72.935   0.0000   0.0000  443.830   12.127  ?   ?       ?      ? 
1 1 1   -7    9   34 o  435.295   5.9360  1284.89   35.004  1244.09   48.846  1327.96   50.188  428.194   8.4180  442.395   8.3716 -14.20166 11.87209 
1 1 1   -7    9   35 o  261.172   4.7861  461.223   16.913  494.924   24.691  431.430   23.214  270.134   6.7449  252.210   6.7923 17.92418 9.572237 
1 1 1   -7    9   36 o  498.420   9.1866  1686.52   62.049  1686.52   62.049   0.0000   0.0000  498.420   9.1866  ?   ?       ?      ? 
1 1 1   -7    9   37 o  466.705   7.5367  1484.18   45.274  1493.52   55.979  1466.52   76.979  469.042   8.8070  464.368   12.233 4.673431 15.07340 
1 1 1   -7    9   38 o  399.529   6.8753  1094.68   35.517  1120.32   44.344  1048.80   59.321  406.275   8.0543  392.784   11.145 13.49124 13.75060 
1 1 1   -7    9   39 o  244.596   6.7472  405.894   22.364  405.894   22.364   0.0000   0.0000  244.596   6.7472  ?   ?       ?      ? 
1 1 1   -7    9   40 o  324.349   6.4081  719.410   26.519  729.154   32.553  700.186   45.724  327.777   7.3288  320.922   10.514 6.854462 12.81617 
1 1 1   -7    9   41 o  174.153   4.6075  205.410   10.863  214.178   15.805  197.561   14.954  177.667   6.5647  170.639   6.4669 7.028168 9.214964 
1 1 1   -7    9   42 o  242.105   4.6973  397.734   15.407  398.895   22.057  396.627   21.530  242.446   6.7134  241.763   6.5717 0.6824493 9.394513 
1 1 1   -7    9   43 o  368.185   7.7587  920.547   38.711  920.547   38.711   0.0000   0.0000  368.185   7.7587  ?   ?       ?      ? 
1 1 1   -7    9   44 o  252.142   6.8646  431.559   23.455  431.559   23.455   0.0000   0.0000  252.142   6.8646  ?   ?       ?      ? 
1 1 1   -7    9   45 o  280.317   4.9152  533.607   18.665  517.643   26.409  549.540   26.383  276.118   7.0578  284.516   6.8429 -8.397247 9.830490 
1 1 1   -7    9   46 o  256.940   5.9726  460.022   19.533  414.280   33.105  484.452   24.193  246.746   9.9006  267.134   6.6832 -20.38783 11.94519 
1 1 1   -7    9   47 o  251.166   6.7162  428.320   22.860   0.0000   0.0000  428.320   22.860  ?   ?   251.166   6.7162      ?      ? 
1 1 1   -7    9   48 o  183.870   4.6761  229.994   11.627  215.380   16.567  244.181   16.323  178.088   6.8647  189.652   6.3513 -11.56430 9.352183 
1 1 1   -7    9   49 o  157.707   4.7406  169.226   10.107  163.295   14.653  174.609   13.960  155.051   6.9735  160.363   6.4237 -5.311050 9.481262 
1 1 1   -7    9   50 o  216.954   5.8681  321.496   15.996  316.325   28.474  323.881   19.336  215.523   9.7494  218.385   6.5336 -2.862045 11.73619 
1 1 1   -7    9   51 o  194.497   4.7047  257.309   12.375  238.710   17.512  275.862   17.490  187.449   6.8941  201.545   6.4039 -14.09604 9.409497 
1 1 1   -7    9   52 o  170.239   4.7641  196.718   10.982  201.059   15.911  192.769   15.177  172.025   6.8253  168.453   6.6485 3.571625 9.528228 
1 1 1   -7    9   53 o  314.318   5.1601  669.634   21.947  713.035   32.072  631.414   30.097  323.866   7.3077  304.770   7.2873 19.09689 10.32025 
1 1 1   -7    9   54 o  289.662   5.0338  570.440   19.756  565.458   28.120  575.296   27.762  288.403   7.1949  290.922   7.0419 -2.518402 10.06754 
1 1 1   -7    9   55 o  168.475   4.7853  192.633   10.914  198.874   15.880  187.045   15.025  171.051   6.8507  165.899   6.6833 5.152374 9.570686 
1 1 1   -7    9   56 o  235.877   6.0529  383.553   18.164  392.857   22.304  365.227   31.301  240.395   6.8466  231.359   9.9837 9.036331 12.10581 
1 1 1   -7    9   57 o  128.413   5.1241  112.128   8.9120  113.140   12.843  111.189   12.377  128.965   7.3486  127.862   7.1432 1.103119 10.24830 
1 1 1   -7    9   58 o  205.009   4.7844  285.875   13.276  268.371   18.686  303.717   18.865  198.651   6.9413  211.367   6.5863 -12.71616 9.568751 
1 1 1   -7    9   59 o  253.171   5.8461  435.119   19.225  431.295   23.938  442.065   32.265  251.802   7.0152  254.540   9.3538 -2.737595 11.69221 
1 1 1   -7    9   60 o  113.957   6.2987   86.026   9.5667   74.992   12.249  103.282   15.318  104.881   8.6185  123.032   9.1878 -18.15151 12.59740 
1 1 1   -7    9   61 f  149.027   4.9772  150.872   10.043  158.210   14.556  144.205   13.874  152.480   7.0446  145.575   7.0330 6.904572 9.954355 
1 1 1   -7    9   62 o   88.454   6.1986   53.266   7.4213   55.853   10.820   50.968   10.198   90.473   8.8254   86.434   8.7065 4.038780 12.39722 
1 1 1   -7    9   63 o  178.144   4.9238  216.715   11.807  186.614   16.595  247.566   16.801  165.525   7.3985  190.763   6.4991 -25.23824 9.847628 
1 1 1   -7    9   64 o  259.108   5.0194  457.387   17.609  433.965   24.829  481.090   24.978  252.401   7.2591  265.814   6.9341 -13.41325 10.03877 
1 1 1   -7    9   65 o  225.473   6.0815  337.120   17.301  374.925   31.430  320.684   20.724  233.982   9.9125  216.965   7.0485 17.01698 12.16296 
1 1 1   -7    9   66 o  260.543   7.0850  462.673   25.015   0.0000   0.0000  462.673   25.015  ?   ?   260.543   7.0850      ?      ? 
1 1 1   -7    9   67 o  144.993   5.2459  144.391   10.236  128.166   14.720  159.583   14.244  136.982   7.9300  153.004   6.8698 -16.02267 10.49183 
1 1 1   -7    9   68 o  133.690   5.2701  122.448   9.5138  115.679   13.793  128.592   13.140  130.101   7.8232  137.279   7.0634 -7.177948 10.54011 
1 1 1   -7    9   69 o  142.443   5.1853  139.104   9.9738  128.728   14.316  148.890   13.903  137.203   7.6997  147.682   6.9471 -10.47948 10.37055 
1 1 1   -7    9   70 o   59.546   10.788   25.120   8.2341   23.977   9.8589   27.757   14.972   57.577   12.950   61.514   17.259 -3.937363 21.57674 
1 1 1   -7    9   71 o  114.820   6.9456   86.426   10.145   78.642   12.160  104.256   18.404  107.020   8.3844  122.620   11.076 -15.60008 13.89118 
1 1 1   -7    9   72 o  108.711   5.6906   80.884   8.3679   87.622   12.235   74.962   11.470  112.961   7.9927  104.462   8.1025 8.498352 11.38128 
1 1 1   -7    9   73 o  144.736   5.1347  143.902   10.056  137.426   14.388  150.087   14.060  141.488   7.5038  147.984   7.0109 -6.495758 10.26940 
1 1 1   -7    9   74 o  109.081   5.6013   81.796   8.2658   88.755   11.935   75.381   11.459  113.569   7.7549  104.593   8.0846 8.975494 11.20259 
1 1 1   -7    9   75 o   77.878   6.6358   42.142   6.9962   42.022   10.111   42.253   9.6904   77.727   9.5996   78.029   9.1643 -0.3024597 13.27169 
1 1 1   -7    9   76 o  131.258   6.1898  121.180   10.643  126.474   13.615  112.861   17.067  135.436   7.4184  127.080   9.9106 8.356270 12.37954 
1 1 1   -7    9   77 o  123.483   6.1083  100.265   9.8981   83.850   12.266  130.910   16.759  109.931   8.2338  137.035   9.0249 -27.10387 12.21652 
1 1 1   -7    9   78 o   63.581   9.5481   30.074   7.5507   29.171   13.627   30.474   9.0703   61.420   16.156   65.742   10.181 -4.322006 19.09629 
1 1 1   -7    9   79 o   75.514   8.8744   43.433   8.0500   37.414   14.120   46.331   9.7983   69.715   15.361   81.312   8.8923 -11.59689 17.74882 
1 1 1   -7    9   80 o   43.796   9.0388   14.661   7.1106  -4.7630   12.392   24.196   8.6821   30.530   13.846   57.062   11.623 -26.53150 18.07757 
1 1 1   -7    9   81 o   52.102   10.293   21.667   7.3895   17.720   13.161   23.484   8.9300   48.377   16.618   55.828   12.149 -7.451653 20.58521 
1 1 1   -7    9   82 o   37.591   13.231   9.8165   8.3672   0.0000   0.0000   9.8165   8.3672  ?   ?    37.591   13.231      ?      ? 
1 1 1   -7    9   83 o   50.110   11.357   20.103   9.3171   27.196   12.319   10.623   14.242   58.194   15.386   42.025   16.709 16.16854 22.71416 
1 1 1   -7    9   84 f   65.285   10.750   35.895   9.9570   48.228   13.272   20.017   15.059   80.565   12.156   50.004   17.734 30.56114 21.50023 
1 1 1   -7    9   85 o   49.152   11.417   19.779   9.3390   26.024   12.138   10.721   14.620   56.434   15.430   41.871   16.833 14.56339 22.83472 
1 1 1   -7    9   86 o   73.354   11.116   42.310   10.609   33.135   13.615   56.492   16.928   63.215   15.907   83.494   15.533 -20.27942 22.23278 
1 1 1   -7    9   87 o   90.475   10.320   60.746   11.682   35.817   14.830  101.501   18.962   64.865   16.754  116.085   12.054 -51.22001 20.63928 
1 1 1   -7    9   88 o   42.996   11.638   13.677   9.3216   13.845   11.817   13.399   15.166   42.552   15.626   43.439   17.251 -0.8870087 23.27643 
1 1 1   -7    9   89 o   77.421   13.957   48.197   14.104   48.197   14.104   0.0000   0.0000   77.421   13.957  ?   ?       ?      ? 
1 1 1   -7    9   91 o   32.921   14.233   3.3659   11.643   3.3659   11.643   0.0000   0.0000   32.921   14.233  ?   ?       ?      ? 
1 1 1   -7    9   92 o   87.312   12.893   61.039   15.255   61.039   15.255   0.0000   0.0000   87.312   12.893  ?   ?       ?      ? 
1 1 1   -7    9   93 o   32.124   14.261   2.1008   12.397   2.1008   12.397   0.0000   0.0000   32.124   14.261  ?   ?       ?      ? 
1 1 1   -7   10    1 o  607.496   7.4274  2503.35   61.141  2486.00   85.857  2521.20   87.088  605.363   10.466  609.628   10.542 -4.265259 14.85470 
1 1 1   -7   10    2 o  477.363   6.2410  1543.87   40.352  1500.76   55.971  1590.53   58.227  470.433   8.7798  484.294   8.8722 -13.86093 12.48204 
1 1 1   -7   10    3 o  686.469   8.1995  3192.29   76.206  3075.15  105.038  3322.48  110.730  673.202   11.514  699.737   11.677 -26.53461 16.39906 
1 1 1   -7   10    4 o  745.465   8.7805  3771.16   88.695  3822.75  126.257  3720.89  124.628  750.499   12.414  740.431   12.421 10.06769 17.56098 
1 1 1   -7   10    5 o  491.089   6.3683  1635.48   42.379  1656.08   60.077  1615.08   59.789  494.169   8.9712  488.009   9.0409 6.159790 12.73656 
1 1 1   -7   10    6 o  617.249   7.5210  2584.69   62.909  2585.29   88.749  2584.07   89.186  617.323   10.609  617.174   10.664 0.1498413 15.04204 
1 1 1   -7   10    7 o  620.175   9.3118  2597.16   73.425  2650.83  129.021  2571.46   89.295  624.689   15.241  615.661   10.703 9.027893 18.62364 
1 1 1   -7   10    8 o  428.672   7.2357  1241.08   39.415  1262.19   69.278  1230.97   47.928  431.271   11.854  426.072   8.3008 5.199127 14.47131 
1 1 1   -7   10    9 f  525.784   8.2563  1872.25   55.248  1886.78   96.596  1865.19   67.352  527.161   13.522  524.407   9.4777 2.754211 16.51260 
1 1 1   -7   10   10 f  590.755   10.351  2367.51   82.864   0.0000   0.0000  2367.51   82.864  ?   ?   590.755   10.351      ?      ? 
1 1 1   -7   10   11 o  604.471   8.5021  2459.13   60.241  2438.89   69.384  2521.11  121.407  599.707   8.5377  609.236   14.705 -9.528992 17.00415 
1 1 1   -7   10   12 o  594.011   8.4319  2413.68   59.348  2434.18   69.024  2355.56  116.226  599.126   8.5016  588.896   14.564 10.23065 16.86387 
1 1 1   -7   10   13 f  488.254   7.3042  1636.20   42.388  1657.22   49.436  1577.82   82.371  494.396   7.3788  482.111   12.608 12.28497 14.60840 
1 1 1   -7   10   14 o  216.259   5.0622  317.443   13.195  317.878   15.464  316.281   25.300  216.561   5.2694  215.956   8.6450 0.6055145 10.12440 
1 1 1   -7   10   15 o  492.656   7.3145  1643.83   42.540  1640.88   49.251  1652.49   84.418  491.945   7.3878  493.366   12.627 -1.421173 14.62904 
1 1 1   -7   10   16 o  391.640   6.4409  1039.81   34.183  1039.81   34.183   0.0000   0.0000  391.640   6.4409  ?   ?       ?      ? 
1 1 1   -7   10   17 o  435.677   6.8614  1286.90   40.510  1286.90   40.510   0.0000   0.0000  435.677   6.8614  ?   ?       ?      ? 
1 1 1   -7   10   18 o  677.370   9.3289  3084.11   73.920  3053.31   85.021  3179.50  149.615  670.899   9.3516  683.840   16.145 -12.94061 18.65786 
1 1 1   -7   10   19 f  424.439   7.2430  1256.49   40.173  1380.98   52.066  1073.35   63.151  451.237   8.5146  397.641   11.719 53.59595 14.48599 
1 1 1   -7   10   20 o  339.888   7.1338  780.010   32.777  718.817   44.624  851.699   48.301  325.482   10.117  354.294   10.060 -28.81232 14.26766 
1 1 1   -7   10   21 o  360.354   6.3800  859.985   29.362  821.260   35.586  942.575   51.970  348.009   7.5458  372.699   10.290 -24.69049 12.76009 
1 1 1   -7   10   22 o  215.805   5.0827  312.286   13.328  307.979   15.641  323.703   25.468  213.154   5.4150  218.456   8.6030 -5.302933 10.16535 
1 1 1   -7   10   23 o  346.118   6.4704  830.098   29.272  887.835   37.571  740.920   46.693  361.825   7.6625  330.412   10.428 31.41327 12.94075 
1 1 1   -7   10   24 o  450.432   11.908  1377.76   72.685   0.0000   0.0000  1377.76   72.685  ?   ?   450.432   11.908      ?      ? 
1 1 1   -7   10   25 o  550.494   9.7839  2056.53   72.987   0.0000   0.0000  2056.53   72.987  ?   ?   550.494   9.7839      ?      ? 
1 1 1   -7   10   26 o  575.309   7.1567  2246.52   55.795  2253.95   79.055  2239.14   78.757  576.256   10.124  574.361   10.119 1.895752 14.31340 
1 1 1   -7   10   27 o  458.490   8.6725  1426.26   53.883   0.0000   0.0000  1426.26   53.883  ?   ?   458.490   8.6725      ?      ? 
1 1 1   -7   10   28 o  362.266   5.3620  889.800   26.317  912.204   37.668  868.436   36.784  366.719   7.5798  357.812   7.5862 8.906128 10.72401 
1 1 1   -7   10   29 o  375.543   5.4964  956.097   27.962  982.789   40.191  931.056   38.927  380.618   7.7921  370.467   7.7539 10.15094 10.99275 
1 1 1   -7   10   30 o  431.546   11.980  1265.70   70.060  1265.70   70.060   0.0000   0.0000  431.546   11.980  ?   ?       ?      ? 
1 1 1   -7   10   31 o  339.735   10.644  784.045   49.005  784.045   49.005   0.0000   0.0000  339.735   10.644  ?   ?       ?      ? 
1 1 1   -7   10   32 o  294.773   7.1571  590.187   28.589  589.915   40.369  590.461   40.495  294.706   10.108  294.840   10.135 -0.1345825 14.31419 
1 1 1   -7   10   34 o  252.303   5.7397  437.756   18.792  452.885   23.637  411.768   30.980  258.375   6.7509  246.232   9.2845 12.14297 11.47940 
1 1 1   -7   10   35 o  360.054   6.4457  864.145   29.739  832.187   36.226  930.189   52.077  350.164   7.6343  369.945   10.388 -19.78177 12.89141 
1 1 1   -7   10   36 o  260.779   5.9445  453.796   19.670  439.760   23.763  484.349   35.059  254.576   6.8882  266.982   9.6902 -12.40628 11.88895 
1 1 1   -7   10   37 o  162.247   5.8141  173.108   12.044  162.842   14.553  195.417   21.454  154.907   6.9328  169.588   9.3354 -14.68109 11.62815 
1 1 1   -7   10   38 o  219.628   4.6537  327.533   13.839  313.030   19.610  341.924   19.534  214.773   6.7378  224.483   6.4212 -9.709396 9.307481 
1 1 1   -7   10   39 o  420.473   8.3446  1200.93   47.548  1200.93   47.548   0.0000   0.0000  420.473   8.3446  ?   ?       ?      ? 
1 1 1   -7   10   40 o  337.893   5.2580  775.237   24.074  773.770   34.263  776.668   33.831  337.572   7.4899  338.214   7.3815 -0.6417847 10.51598 
1 1 1   -7   10   41 o  315.129   5.1254  674.214   21.885  678.020   31.257  670.553   30.651  315.997   7.2993  314.261   7.1973 1.735626 10.25087 
1 1 1   -7   10   42 o  379.719   5.5678  979.495   28.646  980.195   40.868  978.819   40.165  379.844   7.9396  379.594   7.8081 0.2503052 11.13568 
1 1 1   -7   10   43 o  341.611   10.607  794.637   49.104  794.637   49.104   0.0000   0.0000  341.611   10.607  ?   ?       ?      ? 
1 1 1   -7   10   44 o  256.859   5.9268  447.879   19.349  450.256   33.892  446.729   23.567  257.220   9.7232  256.498   6.7800 0.7219238 11.85370 
1 1 1   -7   10   45 o  359.328   7.7790  877.425   37.879  877.425   37.879   0.0000   0.0000  359.328   7.7790  ?   ?       ?      ? 
1 1 1   -7   10   46 o  170.357   4.7295  197.546   10.892  187.954   15.702  206.441   15.121  166.346   6.9657  174.369   6.3992 -8.022659 9.458909 
1 1 1   -7   10   47 o  229.983   5.8473  349.434   16.802  386.086   31.051  334.259   19.980  238.119   9.6226  221.847   6.6459 16.27213 11.69456 
1 1 1   -7   10   48 o   86.109   7.7876   51.417   8.0120   48.790   15.363   52.399   9.3901   84.432   13.427   87.786   7.8934 -3.354202 15.57520 
1 1 1   -7   10   49 o  167.902   4.7795  191.898   10.852  183.662   15.637  199.550   15.073  164.402   7.0187  171.402   6.4895 -6.999344 9.559065 
1 1 1   -7   10   50 o  255.845   4.8975  445.165   16.963  423.056   24.031  467.118   23.946  249.489   7.1079  262.201   6.7394 -12.71149 9.795005 
1 1 1   -7   10   51 o  228.259   4.8175  353.709   14.888  362.380   21.606  345.870   20.544  230.911   6.9049  225.608   6.7197 5.303299 9.634936 
1 1 1   -7   10   52 o  156.357   4.9320  164.266   10.381  192.941   15.590  141.426   13.913  168.485   6.8281  144.230   7.1187 24.25551 9.863971 
1 1 1   -7   10   53 o  271.974   6.1341  493.312   21.178  474.867   25.563  533.680   37.817  264.266   7.1382  279.682   9.9778 -15.41650 12.26828 
1 1 1   -7   10   54 o  191.008   5.9532  244.786   14.456  238.101   17.512  259.089   25.615  187.135   6.9056  194.882   9.6992 -7.747177 11.90636 
1 1 1   -7   10   55 o  265.182   7.0516  478.265   25.341  478.265   25.341   0.0000   0.0000  265.182   7.0516  ?   ?       ?      ? 
1 1 1   -7   10   56 o  158.753   4.9268  171.830   10.573  162.615   15.212  180.441   14.705  154.599   7.2612  162.906   6.6611 -8.306885 9.853642 
1 1 1   -7   10   57 o  201.635   4.9130  275.952   13.409  293.269   19.475  260.341   18.491  207.640   6.9211  195.630   6.9748 12.00975 9.825937 
1 1 1   -7   10   58 o  174.569   5.9138  213.705   13.467  235.097   17.424  181.963   21.225  185.896   6.9165  163.242   9.5946 22.65446 11.82769 
1 1 1   -7   10   59 o  199.461   4.8818  270.831   13.187  266.293   18.894  275.141   18.413  197.813   7.0485  201.108   6.7564 -3.295288 9.763688 
1 1 1   -7   10   60 o  292.006   5.1325  580.492   20.305  583.468   29.062  577.654   28.381  292.724   7.3263  291.289   7.1900 1.435608 10.26503 
1 1 1   -7   10   61 o  194.664   4.9000  257.396   12.909  268.744   18.861  247.396   17.705  198.681   7.0052  190.646   6.8532 8.034729 9.799982 
1 1 1   -7   10   62 o  159.400   5.0215  173.629   10.810  162.848   15.605  183.578   14.990  154.585   7.4491  164.215   6.7361 -9.630203 10.04306 
1 1 1   -7   10   63 o  237.057   6.0796  373.820   18.074  410.490   33.118  358.265   21.569  244.782   9.9838  229.332   6.9404 15.44989 12.15922 
1 1 1   -7   10   64 o  145.838   6.7906  153.065   11.924  129.014   21.817  163.308   14.238  136.855   11.764  154.820   6.7864 -17.96556 13.58114 
1 1 1   -7   10   65 o  142.350   6.4856  137.308   11.432  142.535   21.143  135.149   13.590  143.936   10.839  140.764   7.1244 3.171814 12.97117 
1 1 1   -7   10   66 o  209.392   4.9443  299.457   14.007  293.348   20.269  305.041   19.379  207.299   7.2153  211.485   6.7619 -4.186661 9.888532 
1 1 1   -7   10   67 o  124.210   5.3930  105.326   9.0560  107.887   13.338  103.135   12.335  125.577   7.8378  122.843   7.4099 2.733963 10.78594 
1 1 1   -7   10   68 o  115.317   7.2662   95.476   10.477  102.716   12.882   81.330   18.007  122.484   7.7612  108.149   12.286 14.33535 14.53248 
1 1 1   -7   10   69 f  143.391   6.6375  141.913   12.111  142.400   14.802  140.926   21.065  144.179   7.5761  142.603   10.901 1.576416 13.27491 
1 1 1   -7   10   70 o  127.524   5.4450  112.451   9.3307   98.766   13.455  125.129   12.950  119.866   8.2834  135.181   7.0695 -15.31515 10.89001 
1 1 1   -7   10   71 o   41.735   9.6376   11.824   6.2527   13.794   9.3838   10.250   8.3855   44.245   13.983   39.226   13.267 5.018929 19.27526 
1 1 1   -7   10   72 o   38.830   9.2469   9.7046   6.0884   4.1737   8.9451   14.478   8.3104   32.933   13.193   44.727   12.961 -11.79427 18.49389 
1 1 1   -7   10   73 o  133.193   5.2357  122.344   9.4286  116.983   13.598  127.309   13.085  130.293   7.7014  136.094   7.0950 -5.801010 10.47141 
1 1 1   -7   10   74 o   42.425   9.4505   12.678   6.0683   15.003   9.0433   10.774   8.1845   45.354   13.620   39.497   13.105 5.857090 18.90100 
1 1 1   -7   10   75 o   46.487   9.7303   14.403   6.8221   7.7902   8.8441   24.118   10.720   36.298   13.484   56.677   14.032 -20.37896 19.46060 
1 1 1   -7   10   76 o   24.317   8.0677  -9.7339   6.9017 -17.7181   10.826  -4.2672   8.9581   22.689   11.038   25.946   11.769 -3.257185 16.13535 
1 1 1   -7   10   77 o   86.155   8.4392   56.907   8.5694   45.972   15.020   62.185   10.434   77.838   14.780   94.472   8.1504 -16.63393 16.87848 
1 1 1   -7   10   78 o   93.036   7.4183   59.320   8.7572   68.554   15.809   55.231   10.519   97.364   11.981   88.707   8.7502 8.656570 14.83650 
1 1 1   -7   10   79 o   61.988   9.6742   31.178   7.8026   21.787   13.163   36.266   9.6883   52.633   16.551   71.342   10.021 -18.70903 19.34843 
1 1 1   -7   10   80 o   29.541   8.9920   0.5179   6.6247  -6.0250   11.129   4.1090   8.2446   27.898   12.828   31.184   12.604 -3.285963 17.98394 
1 1 1   -7   10   81 o   66.096   17.533   36.310   15.962   0.0000   0.0000   36.310   15.962  ?   ?    66.096   17.533      ?      ? 
1 1 1   -7   10   82 o   27.157   8.8286  -8.0781   7.9924   0.7456   10.032 -23.4098   13.224   30.398   13.177   23.916   11.753 6.482141 17.65714 
1 1 1   -7   10   83 o   67.990   11.352   36.862   10.271   29.284   13.437   47.510   15.928   59.488   16.221   76.493   15.886 -17.00497 22.70427 
1 1 1   -7   10   84 f   56.804   11.980   26.083   9.8688   20.093   12.699   35.214   15.680   49.532   16.319   64.076   17.544 -14.54413 23.96040 
1 1 1   -7   10   85 o   37.393   15.001   8.0599   11.584   8.0599   11.584   0.0000   0.0000   37.393   15.001  ?   ?       ?      ? 
1 1 1   -7   10   86 o   51.293   18.560   22.696   16.583   0.0000   0.0000   22.696   16.583  ?   ?    51.293   18.560      ?      ? 
1 1 1   -7   10   87 o   52.924   11.336   24.799   9.7491   33.648   12.599   11.592   15.392   63.826   14.846   42.023   17.134 21.80330 22.67150 
1 1 1   -7   10   88 o   94.966   10.029   68.713   12.073   47.032   15.458  102.628   19.333   74.547   15.793  115.385   12.364 -40.83789 20.05702 
1 1 1   -7   10   89 o   45.853   15.995   17.953   12.214   17.953   12.214   0.0000   0.0000   45.853   15.995  ?   ?       ?      ? 
1 1 1   -7   10   90 o   58.185   16.195   30.409   13.238   30.409   13.238   0.0000   0.0000   58.185   16.195  ?   ?       ?      ? 
1 1 1   -7   10   91 o   36.287   15.204   7.9231   12.573   7.9231   12.573   0.0000   0.0000   36.287   15.204  ?   ?       ?      ? 
1 1 1   -7   10   92 o   33.230   14.400   4.7368   11.974   4.7368   11.974   0.0000   0.0000   33.230   14.400  ?   ?       ?      ? 
1 1 1   -7   10   93 o   39.220   15.839   13.003   13.008   13.003   13.008   0.0000   0.0000   39.220   15.839  ?   ?       ?      ? 
1 1 1   -7   11    1 f  526.822   8.2641  1870.81   55.365  1922.62   97.410  1846.09   67.291  532.001   13.512  521.643   9.5193 10.35760 16.52817 
1 1 1   -7   11    2 o  211.876   5.7642  306.910   15.489  297.424   26.996  311.565   18.912  209.380   9.5145  214.372   6.5101 -4.992233 11.52848 
1 1 1   -7   11    3 o   80.862   7.4329   41.467   7.5261   52.027   14.185   37.330   8.8789   87.539   11.958   74.184   8.8320 13.35435 14.86588 
1 1 1   -7   11    4 o   71.268   6.2133   34.323   5.9558   28.836   8.1641   40.565   8.7077   65.197   9.2405   77.338   8.3086 -12.14034 12.42655 
1 1 1   -7   11    5 o  222.563   4.5725  335.940   13.785  340.828   19.308  330.858   19.687  224.217   6.3546  220.909   6.5764 3.308258 9.144997 
1 1 1   -7   11    6 o  526.202   6.7044  1878.49   47.806  1897.29   67.676  1859.77   67.540  528.832   9.4436  523.572   9.5192 5.260498 13.40878 
1 1 1   -7   11    7 o  440.622   8.4900  1316.82   50.694   0.0000   0.0000  1316.82   50.694  ?   ?   440.622   8.4900      ?      ? 
1 1 1   -7   11    8 o  522.741   6.6901  1850.35   47.343  1775.60   65.183  1933.81   68.875  511.592   9.4022  533.889   9.5199 -22.29663 13.38019 
1 1 1   -7   11    9 o  439.589   5.9776  1310.42   35.603  1298.47   49.815  1322.90   50.902  437.543   8.4015  441.634   8.5053 -4.091125 11.95516 
1 1 1   -7   11   10 o  635.423   7.7500  2736.85   66.690  2854.66   96.400  2628.71   92.356  648.519   10.969  622.327   10.951 26.19226 15.50008 
1 1 1   -7   11   11 o  449.000   7.3226  1358.48   41.972  1339.79   51.195  1396.80   73.301  444.438   8.5002  453.563   11.926 -9.124634 14.64514 
1 1 1   -7   11   12 o  440.115   6.9176  1313.39   41.258  1313.39   41.258   0.0000   0.0000  440.115   6.9176  ?   ?       ?      ? 
1 1 1   -7   11   13 o  285.298   5.6512  551.773   21.849  551.773   21.849   0.0000   0.0000  285.298   5.6512  ?   ?       ?      ? 
1 1 1   -7   11   14 o  471.474   7.1816  1522.64   40.194  1538.08   46.813  1479.31   78.403  476.251   7.2535  466.696   12.397 9.554932 14.36312 
1 1 1   -7   11   15 o  426.065   8.1347  1230.97   46.931  1300.27   67.655  1166.70   65.156  437.615   11.408  414.515   11.599 23.09982 16.26943 
1 1 1   -7   11   16 o  480.696   7.6611  1544.88   46.839  1501.79   56.745  1636.99   82.971  470.487   8.9002  490.905   12.472 -20.41797 15.32222 
1 1 1   -7   11   17 o  527.373   8.1895  1832.66   54.615  1740.23   65.508  2043.35   98.902  506.402   9.5459  548.344   13.310 -41.94110 16.37908 
1 1 1   -7   11   18 o  499.351   7.4611  1703.63   44.199  1715.43   51.419  1670.26   86.498  502.917   7.5447  495.786   12.874 7.130737 14.92227 
1 1 1   -7   11   19 o  469.298   7.1008  1477.25   39.227  1459.59   45.237  1530.80   78.759  463.915   7.1957  474.681   12.244 -10.76663 14.20164 
1 1 1   -7   11   20 o  303.321   5.6234  616.439   20.363  608.096   23.649  640.354   40.040  299.484   5.8273  307.159   9.6194 -7.674835 11.24674 
1 1 1   -7   11   21 o  322.233   5.7837  694.883   22.105  684.932   25.578  724.250   43.938  317.834   5.9386  326.631   9.9265 -8.797241 11.56731 
1 1 1   -7   11   22 o  386.493   6.3632  1025.76   29.372  1039.54   34.353  988.305   56.636  391.527   6.4747  381.460   10.956 10.06653 12.72635 
1 1 1   -7   11   23 o  407.713   6.5731  1147.21   32.060  1169.40   37.592  1087.99   61.401  415.245   6.6805  400.181   11.322 15.06342 13.14626 
1 1 1   -7   11   24 o  246.430   5.3527  419.827   15.933  429.765   18.809  394.574   29.982  251.765   5.5130  241.096   9.1766 10.66902 10.70530 
1 1 1   -7   11   25 o  201.465   5.1838  276.226   12.718  277.358   15.012  273.345   23.939  202.253   5.4771  200.676   8.8028 1.577072 10.36767 
1 1 1   -7   11   26 o  510.902   9.3619  1761.15   64.542  1581.02   86.940  1982.31   96.332  482.031   13.310  539.773   13.170 -57.74210 18.72388 
1 1 1   -7   11   27 o  301.671   7.0770  608.945   28.713  704.526   43.895  537.462   37.961  322.049   10.058  281.293   9.9584 40.75632 14.15399 
1 1 1   -7   11   28 o  226.387   5.5765  350.792   16.337  358.134   20.403  337.672   27.273  229.774   6.5526  223.000   9.0250 6.773804 11.15292 
1 1 1   -7   11   29 o  238.733   8.9608  387.027   28.990   0.0000   0.0000  387.027   28.990  ?   ?   238.733   8.9608      ?      ? 
1 1 1   -7   11   30 o  199.204   4.6084  269.018   12.435  279.340   17.838  259.258   17.345  202.920   6.4869  195.488   6.5475 7.432114 9.216845 
1 1 1   -7   11   31 o  214.382   4.6293  311.445   13.440  322.405   19.437  301.405   18.605  217.990   6.5798  210.774   6.5137 7.216202 9.258632 
1 1 1   -7   11   32 o  359.181   5.3733  875.776   26.153  868.361   36.993  883.185   36.979  357.658   7.6325  360.704   7.5653 -3.045868 10.74654 
1 1 1   -7   11   33 o  369.366   6.7808  936.782   31.944  956.261   39.276  898.720   54.904  375.297   7.7228  363.436   11.148 11.86154 13.56157 
1 1 1   -7   11   34 o  134.777   6.3141  127.724   10.661  135.760   13.059  111.664   18.460  141.434   6.8135  128.119   10.632 13.31468 12.62819 
1 1 1   -7   11   35 o  186.391   4.6334  235.293   11.691  247.861   16.990  223.989   16.113  191.109   6.5604  181.674   6.5448 9.435181 9.266796 
1 1 1   -7   11   36 o  181.113   4.6862  222.833   11.487  217.923   16.554  227.393   15.953  179.178   6.8177  183.048   6.4313 -3.869995 9.372457 
1 1 1   -7   11   37 o  262.333   9.9066  468.149   35.218  468.149   35.218   0.0000   0.0000  262.333   9.9066  ?   ?       ?      ? 
1 1 1   -7   11   38 o   99.340   8.4805   67.629   11.353   62.459   16.516   72.260   15.631   95.683   12.738  102.996   11.199 -7.313675 16.96104 
1 1 1   -7   11   39 o  100.871   6.7392   70.918   8.5830   64.381   14.809   74.224   10.532   97.206   11.242  104.536   7.4349 -7.330055 13.47843 
1 1 1   -7   11   40 o  239.074   5.7755  387.492   17.596  391.341   30.697  385.608   21.475  239.832   9.4450  238.316   6.6496 1.516312 11.55100 
1 1 1   -7   11   41 o  376.532   6.8060  972.183   32.778  942.651   56.170  987.431   40.362  371.878   11.146  381.187   7.8137 -9.309021 13.61209 
1 1 1   -7   11   42 o  334.828   5.2805  761.892   23.955  752.899   34.091  770.663   33.667  332.864   7.5578  336.791   7.3767 -3.926819 10.56108 
1 1 1   -7   11   43 f  151.981   4.8608  157.562   9.9684  145.710   14.391  168.493   13.821  146.443   7.2517  157.520   6.4748 -11.07724 9.721645 
1 1 1   -7   11   44 o  193.431   4.7723  253.765   12.491  260.795   18.266  247.591   17.118  195.934   6.8794  190.928   6.6162 5.005905 9.544667 
1 1 1   -7   11   45 o  330.030   6.4681  731.117   26.902  769.851   48.412  713.813   32.358  335.989   10.633  324.072   7.3681 11.91693 12.93624 
1 1 1   -7   11   46 o  228.801   4.8207  355.978   14.887  315.720   20.827  398.031   21.286  215.534   7.1308  242.068   6.4891 -26.53363 9.641382 
1 1 1   -7   11   47 o  150.907   4.8712  155.031   9.9339  150.546   14.475  159.025   13.658  148.821   7.1773  152.992   6.5879 -4.171707 9.742347 
1 1 1   -7   11   48 o  147.219   4.9548  147.866   9.8401  140.268   14.388  154.543   13.487  143.627   7.3926  150.812   6.5993 -7.185547 9.909680 
1 1 1   -7   11   49 o  262.750   4.9396  468.865   17.574  479.962   25.474  458.786   24.276  265.703   7.0748  259.797   6.8954 5.905640 9.879184 
1 1 1   -7   11   50 o  195.984   4.8229  261.699   12.779  247.790   18.365  274.754   17.793  190.897   7.0992  201.070   6.5301 -10.17296 9.645768 
1 1 1   -7   11   51 o  100.564   7.1839   63.509   9.3688   50.300   11.416   90.750   16.395   85.860   9.8120  115.269   10.496 -29.40877 14.36787 
1 1 1   -7   11   52 o  236.152   4.8732  379.427   15.580  373.964   22.440  384.512   21.648  234.488   7.0620  237.815   6.7172 -3.326569 9.746412 
1 1 1   -7   11   53 o  212.082   4.8633  305.322   13.955  315.669   20.429  296.268   19.109  215.431   6.9976  208.733   6.7556 6.697998 9.726533 
1 1 1   -7   11   54 o  146.154   5.1733  145.402   10.209  144.911   15.076  145.818   13.875  145.899   7.6253  146.409   6.9932 -0.5103607 10.34654 
1 1 1   -7   11   55 o  105.388   6.6222   75.110   9.3409   71.607   12.167   80.139   14.577  102.471   8.7621  108.305   9.9318 -5.833977 13.24444 
1 1 1   -7   11   56 o   93.899   6.9355   58.516   8.6954   48.138   11.282   73.704   13.648   83.928   9.9195  103.870   9.6957 -19.94270 13.87093 
1 1 1   -7   11   57 o  200.263   4.8965  273.356   13.267  258.420   18.910  287.832   18.617  194.838   7.1620  205.689   6.6790 -10.85138 9.793055 
1 1 1   -7   11   58 o  185.477   7.1724  234.247   18.028  234.247   18.028   0.0000   0.0000  185.477   7.1724  ?   ?       ?      ? 
1 1 1   -7   11   59 o  169.701   4.9949  196.703   11.442  188.165   16.714  204.234   15.696  166.181   7.4218  173.222   6.6867 -7.041107 9.989704 
1 1 1   -7   11   60 o  159.406   5.0921  173.320   10.957  170.979   16.162  175.310   14.907  158.367   7.5308  160.444   6.8560 -2.077057 10.18421 
1 1 1   -7   11   61 o   74.575   9.2607   37.085   8.2540   43.938   15.907   34.559   9.6557   78.147   15.567   71.003   10.035 7.144432 18.52140 
1 1 1   -7   11   62 o  226.756   5.0116  350.652   15.360  349.795   22.529  351.395   20.997  226.445   7.3417  227.067   6.8239 -0.6213989 10.02328 
1 1 1   -7   11   63 o  114.213   7.4543   95.812   10.138   76.266   18.527  104.167   12.113  104.878   13.036  123.548   7.2348 -18.66936 14.90867 
1 1 1   -7   11   64 o  116.821   5.6714   93.599   8.9102   91.307   13.359   95.436   11.958  115.454   8.5388  118.187   7.4666 -2.732658 11.34284 
1 1 1   -7   11   65 o   57.275   8.9145   23.157   6.7015   28.361   10.277   19.307   8.8393   62.854   12.506   51.696   12.707 11.15743 17.82891 
1 1 1   -7   11   66 o  136.899   6.5673  128.960   11.538  128.958   14.207  128.964   19.773  137.237   7.6393  136.561   10.685 0.6757965 13.13469 
1 1 1   -7   11   67 o  105.097   6.0611   76.253   8.5921   71.304   12.492   80.698   11.837  101.758   9.0587  108.436   8.0553 -6.677765 12.12222 
1 1 1   -7   11   68 o  103.731   6.0388   75.673   8.2848   59.159   12.028   90.580   11.428   92.514   9.5941  114.947   7.3365 -22.43322 12.07770 
1 1 1   -7   11   69 o  118.127   5.4503   95.347   8.6931  102.364   12.988   89.652   11.700  122.009   7.8554  114.244   7.5576 7.764839 10.90068 
1 1 1   -7   11   70 o   45.453   9.0610   13.485   6.2031   23.749   9.6110   6.1573   8.1210   56.939   12.771   33.966   12.857 22.97330 18.12194 
1 1 1   -7   11   71 o   56.621   8.7757   23.231   6.5206   26.453   9.8477   20.716   8.7013   60.115   12.496   53.126   12.325 6.988697 17.55141 
1 1 1   -7   11   72 o  125.880   5.3572  109.301   9.1163  110.200   13.389  108.524   12.447  126.286   7.8235  125.474   7.3205 0.8125381 10.71437 
1 1 1   -7   11   73 o   81.852   6.5417   46.481   7.2327   51.443   10.723   42.338   9.7969   85.844   9.2175   77.860   9.2852 7.983612 13.08345 
1 1 1   -7   11   74 o   50.579   10.775   18.239   8.0410   25.912   12.611   12.984   10.438   58.070   15.665   43.089   14.800 14.98086 21.55057 
1 1 1   -7   11   75 o   74.608   9.3514   40.553   9.2171   46.108   13.987   36.289   12.254   79.665   12.956   69.551   13.489 10.11399 18.70275 
1 1 1   -7   11   76 o   42.013   9.5318   13.263   6.8936   0.6216   12.229   19.151   8.3460   33.575   14.552   50.450   12.315 -16.87468 19.06354 
1 1 1   -7   11   77 o   46.129   10.254   16.152   6.9446   15.041   12.109   16.696   8.4772   45.397   15.921   46.861   12.928 -1.463638 20.50872 
1 1 1   -7   11   78 o   81.296   8.8378   53.481   8.4233   37.222   14.214   62.280   10.457   68.475   15.659   94.118   8.1989 -25.64353 17.67559 
1 1 1   -7   11   79 o   54.861   12.014   23.704   9.8603   18.296   12.927   31.228   15.248   48.416   16.473   61.307   17.493 -12.89057 24.02803 
1 1 1   -7   11   80 o   51.168   17.908   21.170   15.318   0.0000   0.0000   21.170   15.318  ?   ?    51.168   17.908      ?      ? 
1 1 1   -7   11   81 o   74.558   11.290   44.290   10.820   40.810   13.729   49.996   17.579   71.672   14.631   77.444   17.198 -5.772408 22.57921 
1 1 1   -7   11   83 f   37.749   10.953   3.4392   9.0507  -4.3132   11.301   17.306   15.114   28.570   13.059   46.928   17.589 -18.35848 21.90642 
1 1 1   -7   11   84 o   55.014   12.283   25.003   10.061   19.986   12.757   33.259   16.366   48.974   16.365   61.053   18.320 -12.07956 24.56506 
1 1 1   -7   11   85 o   43.406   11.703   13.301   9.2576   9.8638   11.557   19.457   15.466   38.604   15.145   48.207   17.846 -9.602764 23.40652 
1 1 1   -7   11   86 o   34.779   10.653   3.4138   8.9786   1.9463   11.339   5.8804   14.701   32.030   13.947   37.529   16.108 -5.499763 21.30668 
1 1 1   -7   11   87 o   51.006   11.873   23.422   9.6338   26.116   12.574   19.592   14.990   54.605   15.977   47.408   17.566 7.197254 23.74500 
1 1 1   -7   11   88 o   49.025   15.981   21.318   12.191   21.318   12.191   0.0000   0.0000   49.025   15.981  ?   ?       ?      ? 
1 1 1   -7   11   89 o   55.461   16.394   28.335   13.180   28.335   13.180   0.0000   0.0000   55.461   16.394  ?   ?       ?      ? 
1 1 1   -7   11   90 o   54.982   16.579   28.733   13.380   28.733   13.380   0.0000   0.0000   54.982   16.579  ?   ?       ?      ? 
1 1 1   -7   11   91 o   45.577   16.483   20.097   13.076   20.097   13.076   0.0000   0.0000   45.577   16.483  ?   ?       ?      ? 
1 1 1   -7   11   92 f   28.526   13.218  -2.4966   12.146  -2.4966   12.146   0.0000   0.0000   28.526   13.218  ?   ?       ?      ? 
1 1 1   -7   12    1 o  335.008   5.2084  760.977   23.636  751.609   32.899  770.970   33.980  332.882   7.2931  337.135   7.4377 -4.253021 10.41672 
1 1 1   -7   12    2 o  285.880   4.9319  550.836   19.047  504.085   25.795  606.885   28.244  272.625   6.9821  299.135   6.9674 -26.51038 9.863847 
1 1 1   -7   12    3 o  272.568   4.8869  501.013   17.999  457.416   24.453  552.554   26.588  259.700   6.9484  285.436   6.8738 -25.73569 9.773895 
1 1 1   -7   12    4 o  291.091   5.8914  573.296   22.337  580.773   37.239  569.094   27.918  292.515   9.3943  289.667   7.1121 2.848358 11.78282 
1 1 1   -7   12    5 o  312.090   6.0241  654.602   24.424  682.790   41.243  639.379   30.310  317.155   9.5962  307.025   7.2850 10.12924 12.04815 
1 1 1   -7   12    6 o  318.963   7.2845  676.564   31.091  605.088   40.258  782.194   48.940  298.542   9.9510  339.384   10.641 -40.84247 14.56908 
1 1 1   -7   12    7 o  409.385   8.1750  1140.38   45.281  1197.82   63.488  1080.91   64.600  419.931   11.156  398.839   11.952 21.09189 16.35008 
1 1 1   -7   12    8 o  341.692   7.4945  790.764   34.520  773.204   46.269  812.808   51.841  337.460   10.118  345.924   11.059 -8.464996 14.98893 
1 1 1   -7   12    9 o  145.249   6.1613  142.641   12.087  137.052   16.325  149.424   17.984  142.118   8.4765  148.381   8.9439 -6.263657 12.32251 
1 1 1   -7   12   10 o   99.095   6.7040   66.899   8.9601   69.644   12.251   63.741   13.138  101.299   8.9246   96.891   10.006 4.408447 13.40801 
1 1 1   -7   12   11 f  410.247   6.9682  1152.41   37.159  1107.63   61.393  1178.29   46.680  403.782   11.220  416.713   8.2664 -12.93188 13.93630 
1 1 1   -7   12   12 o  381.493   6.7124  992.360   32.816  1001.57   40.417  974.549   56.220  384.223   7.7624  378.763   10.953 5.459717 13.42479 
1 1 1   -7   12   13 o  183.980   5.4092  229.708   12.779  229.850   15.735  229.433   21.900  184.102   6.3070  183.859   8.7898 0.2425995 10.81843 
1 1 1   -7   12   14 o  204.494   8.8806  283.842   24.610   0.0000   0.0000  283.842   24.610  ?   ?   204.494   8.8806      ?      ? 
1 1 1   -7   12   15 o  348.976   6.4643  842.376   29.041  880.434   36.302  774.725   48.400  360.244   7.4362  337.708   10.576 22.53601 12.92858 
1 1 1   -7   12   16 o  260.044   5.7760  465.151   19.273  479.201   23.904  439.047   32.583  265.802   6.6363  254.287   9.4556 11.51512 11.55198 
1 1 1   -7   12   17 o  138.282   5.4156  121.886   9.6599  106.124   11.694  155.751   17.141  125.078   6.8990  151.486   8.3497 -26.40810 10.83115 
1 1 1   -7   12   18 o  283.219   5.8411  535.545   21.158  518.480   25.750  571.007   37.120  276.462   6.8732  289.977   9.4464 -13.51508 11.68225 
1 1 1   -7   12   19 o  254.321   5.6761  436.332   18.490  431.002   22.638  447.012   32.047  252.069   6.6273  256.573   9.2170 -4.504120 11.35227 
1 1 1   -7   12   20 o  201.429   5.2663  282.806   12.806  292.486   15.157  258.655   23.940  207.687   5.3854  195.170   9.0517 12.51700 10.53259 
1 1 1   -7   12   21 o  324.459   5.8774  718.658   22.744  723.160   26.532  706.182   44.170  326.533   5.9961  322.385   10.110 4.148315 11.75476 
1 1 1   -7   12   22 o  417.015   7.0804  1164.90   37.893  1131.08   46.315  1233.38   65.904  408.168   8.3733  425.863   11.420 -17.69522 14.16073 
1 1 1   -7   12   23 o  306.294   6.1242  632.106   24.337  620.256   30.186  654.115   41.139  302.317   7.3681  310.270   9.7843 -7.953308 12.24831 
1 1 1   -7   12   24 o  175.046   5.1552  205.824   10.994  203.152   12.927  212.811   20.902  173.074   5.5117  177.018   8.7135 -3.943542 10.31037 
1 1 1   -7   12   25 o  292.508   6.1889  596.011   23.622  646.260   30.400  519.433   37.528  308.577   7.2698  276.439   10.018 32.13849 12.37776 
1 1 1   -7   12   26 f  353.370   6.1061  846.207   25.653  844.098   29.809  852.228   50.372  352.730   6.2361  354.010   10.500 -1.280182 12.21227 
1 1 1   -7   12   27 o  281.382   6.0617  548.332   22.277  582.057   28.492  495.290   35.732  292.836   7.1799  269.927   9.7686 22.90872 12.12339 
1 1 1   -7   12   28 o  106.714   5.8495   79.077   7.6979   81.699   9.2358   73.110   13.931  109.732   6.2109  103.695   9.9142 6.037872 11.69904 
1 1 1   -7   12   29 o  244.138   5.3950  407.566   15.836  410.955   18.568  398.524   30.330  246.135   5.5667  242.141   9.2431 3.993713 10.78998 
1 1 1   -7   12   30 o  308.831   7.4314  647.607   31.101  647.607   31.101   0.0000   0.0000  308.831   7.4314  ?   ?       ?      ? 
1 1 1   -7   12   32 o  298.994   5.0046  606.257   20.265  632.281   29.235  582.187   28.116  305.163   7.0695  292.824   7.0855 12.33932 10.00910 
1 1 1   -7   12   33 o  212.459   6.6550  306.426   19.161  306.426   19.161   0.0000   0.0000  212.459   6.6550  ?   ?       ?      ? 
1 1 1   -7   12   34 o  198.576   5.5708  268.101   14.228  267.332   24.286  268.503   17.557  198.273   9.0388  198.879   6.5144 -0.6061096 11.14165 
1 1 1   -7   12   35 o  334.289   6.3523  759.421   27.185  761.731   46.915  758.253   33.355  334.469   10.351  334.109   7.3670 0.3594666 12.70468 
1 1 1   -7   12   36 o  233.502   5.7225  366.586   17.028  382.299   29.935  359.070   20.704  237.042   9.3192  229.962   6.6438 7.080063 11.44495 
1 1 1   -7   12   37 o  129.995   5.1027  114.515   8.9660  118.549   13.246  111.105   12.180  132.094   7.4000  127.896   7.0277 4.197487 10.20531 
1 1 1   -7   12   38 f  270.380   4.8947  496.192   17.926  508.670   25.835  484.606   24.894  273.652   6.9666  267.109   6.8775 6.542908 9.789426 
1 1 1   -7   12   39 o  265.784   4.8781  479.983   17.565  472.594   25.000  487.188   24.684  263.754   6.9945  267.814   6.8015 -4.060455 9.756144 
1 1 1   -7   12   40 o   87.056   6.1917   50.552   7.1473   67.756   10.901   37.581   9.4657   99.819   8.0590   74.292   9.4021 25.52687 12.38334 
1 1 1   -7   12   41 o  229.357   6.9554  357.428   21.618  357.428   21.618   0.0000   0.0000  229.357   6.9554  ?   ?       ?      ? 
1 1 1   -7   12   42 o  212.749   5.9010  306.674   15.789  311.435   28.280  304.517   19.031  213.781   9.7617  211.717   6.6331 2.063538 11.80208 
1 1 1   -7   12   43 o  224.355   6.8917  342.066   20.922  366.328   30.529  320.582   28.729  231.838   9.7173  216.872   9.7752 14.96573 13.78337 
1 1 1   -7   12   44 o   95.302   11.829   62.096   15.277   0.0000   0.0000   62.096   15.277  ?   ?    95.302   11.829      ?      ? 
1 1 1   -7   12   45 o  205.190   4.7843  285.668   13.286  295.252   19.394  277.193   18.238  208.418   6.8668  201.962   6.6637 6.456223 9.568611 
1 1 1   -7   12   46 o  242.165   4.8729  398.351   15.974  405.119   23.210  392.261   22.018  244.104   7.0166  240.227   6.7636 3.876114 9.745760 
1 1 1   -7   12   47 o  201.066   4.8139  274.346   13.095  283.067   19.178  266.728   17.924  204.041   6.9360  198.090   6.6773 5.951019 9.627787 
1 1 1   -7   12   48 o   51.011   10.769   16.017   7.9721   10.197   9.9118   26.680   13.416   40.958   14.402   61.064   16.015 -20.10521 21.53787 
1 1 1   -7   12   49 o   78.712   8.4163   41.434   8.6209   39.035   10.651   45.990   14.679   75.587   10.398   81.836   13.237 -6.248436 16.83253 
1 1 1   -7   12   50 o  138.264   5.1712  130.510   9.6361  125.472   14.234  134.773   13.092  135.757   7.7372  140.770   6.8631 -5.012970 10.34249 
1 1 1   -7   12   51 o  132.673   5.3275  118.828   9.5309  129.919   14.381  110.140   12.728  138.136   7.6823  127.210   7.3831 10.92586 10.65497 
1 1 1   -7   12   52 o  118.223   5.4797   94.310   8.7332  103.977   13.199   86.783   11.647  123.551   7.8833  112.894   7.6133 10.65685 10.95942 
1 1 1   -7   12   53 o   51.973   9.7747   19.081   7.4513   28.117   10.457   9.7594   10.621   62.877   12.709   41.069   14.855 21.80846 19.54936 
1 1 1   -7   12   54 o  126.922   6.1954  109.949   10.515  110.089   13.804  109.756   16.231  127.091   8.0152  126.753   9.4493 0.3380508 12.39077 
1 1 1   -7   12   55 o  147.794   5.1204  148.504   10.197  151.029   15.316  146.494   13.665  148.884   7.5914  146.704   6.8735 2.179428 10.24086 
1 1 1   -7   12   56 o  167.999   6.7658  192.129   15.403   0.0000   0.0000  192.129   15.403  ?   ?   167.999   6.7658      ?      ? 
1 1 1   -7   12   57 o  179.024   5.0065  217.319   12.099  229.465   18.092  207.494   16.272  183.501   7.2756  174.547   6.8794 8.953354 10.01305 
1 1 1   -7   12   58 o  188.506   6.0851  227.899   14.163  279.514   27.273  208.841   16.572  201.946   9.9657  175.067   6.9854 26.87898 12.17015 
1 1 1   -7   12   59 o  231.109   6.2573  373.153   18.053  345.016   31.941  386.361   21.884  224.109   10.517  238.108   6.7823 -13.99928 12.51458 
1 1 1   -7   12   60 o  197.161   6.1698  264.635   15.154  269.875   27.616  262.377   18.127  198.158   10.284  196.165   6.8192 1.993027 12.33966 
1 1 1   -7   12   61 o  164.858   6.3939  188.480   12.979  181.230   23.765  191.561   15.493  162.149   10.815  167.567   6.8230 -5.417450 12.78779 
1 1 1   -7   12   62 o  179.989   5.0444  222.314   12.245  206.542   17.773  236.565   16.894  173.797   7.5464  186.180   6.6961 -12.38354 10.08884 
1 1 1   -7   12   63 o  136.338   5.3799  125.755   9.8764  146.831   14.848  109.029   13.227  146.488   7.4795  126.188   7.7351 20.30025 10.75985 
1 1 1   -7   12   64 o   71.627   9.8650   37.541   8.9132   39.501   11.083   33.952   14.998   75.504   10.832   67.750   16.491 7.753426 19.73006 
1 1 1   -7   12   65 o   85.557   6.6302   49.831   7.6344   57.860   11.590   43.677   10.147   91.569   9.3399   79.546   9.4130 12.02248 13.26045 
1 1 1   -7   12   66 o   55.787   8.8698   22.635   6.5007   22.782   9.8614   22.523   8.6450   55.799   13.241   55.775   11.806 0.2376938E-01 17.73952 
1 1 1   -7   12   67 f   51.297   9.2756   19.090   6.4318   21.176   9.8000   17.511   8.5248   53.659   13.491   48.935   12.733 4.723389 18.55127 
1 1 1   -7   12   68 o   73.846   7.0407   37.622   7.0096   41.620   10.587   34.501   9.3533   77.276   10.110   70.416   9.8019 6.860016 14.08138 
1 1 1   -7   12   69 o   60.541   8.2613   27.117   6.5073   21.533   9.8328   31.468   8.6800   53.867   13.498   67.215   9.5295 -13.34834 16.52266 
1 1 1   -7   12   70 o   53.485   8.9855   20.827   6.3892   24.722   9.7492   17.895   8.4588   57.803   12.785   49.166   12.629 8.637760 17.97103 
1 1 1   -7   12   71 o   94.299   6.0641   62.307   7.6933   55.890   11.128   68.182   10.648   89.433   9.1820   99.164   7.9237 -9.730942 12.12821 
1 1 1   -7   12   72 o   73.647   9.5808   39.085   9.2784   48.634   14.363   32.247   12.155   81.981   12.928   65.313   14.143 16.66795 19.16155 
1 1 1   -7   12   73 o   91.361   8.8196   58.838   10.373   81.730   16.269   43.155   13.466  106.869   11.234   75.854   13.600 31.01443 17.63920 
1 1 1   -7   12   74 o   60.282   9.9350   27.023   7.6094   30.711   13.268   25.215   9.2889   62.552   15.682   58.012   12.203 4.540615 19.87008 
1 1 1   -7   12   75 o   57.715   10.101   24.062   7.4833   32.338   13.266   20.200   9.0630   64.033   15.463   51.398   13.002 12.63519 20.20278 
1 1 1   -7   12   76 o  105.126   7.0220   76.731   9.4389   86.432   16.692   72.170   11.444  109.039   11.297  101.212   8.3439 7.826454 14.04410 
1 1 1   -7   12   77 o   71.342   11.578   39.591   10.913   29.937   14.058   54.227   17.310   60.408   16.642   82.276   16.102 -21.86827 23.15669 
1 1 1   -7   12   79 o   56.230   17.950   26.937   15.435   0.0000   0.0000   26.937   15.435  ?   ?    56.230   17.950      ?      ? 
1 1 1   -7   12   80 o   99.719   8.9657   74.432   12.045   68.204   16.016   82.542   18.276   95.177   12.418  104.261   12.935 -9.084099 17.93132 
1 1 1   -7   12   81 o   39.582   11.075   7.6989   9.0042   0.8237   11.688   17.738   14.123   32.096   14.062   47.068   17.113 -14.97273 22.14993 
1 1 1   -7   12   82 o   71.402   11.425   41.606   10.712   34.543   13.930   51.827   16.758   64.025   16.078   78.779   16.237 -14.75409 22.85036 
1 1 1   -7   12   83 f   77.760   10.931   49.482   10.973   46.527   14.272   53.754   17.159   75.800   14.421   79.720   16.430 -3.919655 21.86105 
1 1 1   -7   12   84 o   42.087   11.334   11.059   9.1120   3.8070   11.634   22.567   14.656   33.606   14.374   50.568   17.527 -16.96194 22.66731 
1 1 1   -7   12   85 o   58.206   11.734   30.871   9.8219   34.101   12.591   25.850   15.699   63.581   14.877   52.830   18.150 10.75141 23.46768 
1 1 1   -7   12   86 o   49.293   11.933   21.695   9.4727   19.836   12.304   24.402   14.844   47.418   16.071   51.168   17.645 -3.750633 23.86628 
1 1 1   -7   12   87 o   23.809   11.437 -11.2224   10.739 -11.2224   10.739   0.0000   0.0000   23.809   11.437  ?   ?       ?      ? 
1 1 1   -7   12   88 o   63.434   16.042   36.931   13.799   36.931   13.799   0.0000   0.0000   63.434   16.042  ?   ?       ?      ? 
1 1 1   -7   12   89 o   34.345   14.752   6.4595   12.348   6.4595   12.348   0.0000   0.0000   34.345   14.752  ?   ?       ?      ? 
1 1 1   -7   12   90 o   32.688   14.424   4.5022   12.498   4.5022   12.498   0.0000   0.0000   32.688   14.424  ?   ?       ?      ? 
1 1 1   -7   12   91 o   44.847   16.910   21.583   14.012   21.583   14.012   0.0000   0.0000   44.847   16.910  ?   ?       ?      ? 
1 1 1   -7   13    1 o  141.277   6.4168  139.584   10.879  144.603   12.838  126.802   20.490  145.998   6.4890  136.557   11.072 9.441040 12.83366 
1 1 1   -7   13    2 o  231.827   6.0004  368.424   17.264  373.826   20.704  356.096   31.277  234.742   6.5086  228.912   10.083 5.830704 12.00085 
1 1 1   -7   13    3 o  162.520   4.6718  178.360   10.261  168.352   13.893  190.367   15.218  157.531   6.5082  167.509   6.7042 -9.977493 9.343596 
1 1 1   -7   13    4 f  172.189   5.5568  204.589   12.276  212.217   15.254  190.568   20.681  176.872   6.3643  167.505   9.1109 9.367203 11.11366 
1 1 1   -7   13    5 o  214.012   5.6588  318.549   15.936  272.449   24.599  351.885   20.918  200.286   9.0633  227.738   6.7781 -27.45233 11.31754 
1 1 1   -7   13    6 o  139.868   4.8401  132.901   9.1605  136.743   12.735  128.782   13.187  141.971   6.6194  137.764   7.0634 4.206680 9.680296 
1 1 1   -7   13    7 o  139.688   6.5153  132.375   12.333  132.375   12.333   0.0000   0.0000  139.688   6.5153  ?   ?       ?      ? 
1 1 1   -7   13    8 o  205.995   4.6763  288.043   13.032  290.670   17.962  285.122   18.936  206.996   6.4035  204.995   6.8166 2.001236 9.352594 
1 1 1   -7   13    9 o  148.367   4.8337  147.979   9.6698  130.401   13.020  169.601   14.440  138.629   6.9307  158.105   6.7398 -19.47549 9.667434 
1 1 1   -7   13   10 o  254.197   4.8654  433.156   16.655  378.698   22.250  502.559   25.118  236.241   6.9500  272.154   6.8106 -35.91286 9.730756 
1 1 1   -7   13   11 o  198.863   4.6890  267.881   12.619  260.444   17.318  276.299   18.426  195.930   6.5227  201.796   6.7380 -5.866623 9.377949 
1 1 1   -7   13   12 o  250.567   5.4351  423.824   16.130  421.353   18.689  431.037   31.937  249.253   5.5331  251.880   9.3565 -2.626633 10.87012 
1 1 1   -7   13   13 o  252.835   5.3610  425.326   16.074  416.492   18.570  451.719   32.099  247.810   5.5299  257.859   9.1859 -10.04942 10.72195 
1 1 1   -7   13   14 o  261.069   5.4331  454.310   16.776  445.818   19.363  479.869   33.594  256.382   5.5731  265.755   9.3281 -9.373413 10.86613 
1 1 1   -7   13   15 o  327.643   5.9219  729.300   22.973  729.586   26.654  728.475   45.304  327.950   5.9975  327.337   10.213 0.6133118 11.84387 
1 1 1   -7   13   16 o  245.811   5.6741  401.922   17.838  386.019   21.674  435.301   31.402  238.508   6.7059  253.113   9.1549 -14.60457 11.34820 
1 1 1   -7   13   17 o  282.442   5.9909  540.085   21.958  535.806   27.312  547.907   36.926  280.962   7.1733  283.922   9.5973 -2.959717 11.98182 
1 1 1   -7   13   18 o  261.340   5.8751  458.292   19.980  444.546   24.814  483.635   33.694  255.915   7.1551  266.765   9.3205 -10.84947 11.75026 
1 1 1   -7   13   19 o  211.395   5.7855  310.558   15.948  333.253   20.429  275.141   25.520  221.592   6.8030  201.199   9.3598 20.39288 11.57098 
1 1 1   -7   13   20 o  120.162   5.3843   89.674   7.9604   79.581   9.2522  118.435   15.619  108.297   6.3045  132.027   8.7301 -23.73011 10.76853 
1 1 1   -7   13   21 o  233.551   5.3498  366.192   14.900  361.663   17.300  379.203   29.321  230.902   5.5289  236.200   9.1605 -5.297928 10.69969 
1 1 1   -7   13   22 o  295.109   5.7470  601.121   20.253  612.201   23.718  571.295   38.913  300.392   5.8265  289.827   9.9078 10.56540 11.49402 
1 1 1   -7   13   23 o  193.360   5.3781  264.620   12.475  278.467   14.788  230.453   23.229  202.611   5.3860  184.109   9.3107 18.50169 10.75629 
1 1 1   -7   13   24 o  102.958   5.8346   70.279   7.4803   67.754   8.8853   76.426   13.861   99.911   6.5626  106.006   9.6491 -6.094574 11.66928 
1 1 1   -7   13   25 o  216.294   5.6635  321.866   15.880  332.425   19.939  303.554   26.257  221.296   6.6489  211.293   9.1702 10.00267 11.32698 
1 1 1   -7   13   26 o  247.068   6.8254  414.426   22.852  414.426   22.852   0.0000   0.0000  247.068   6.8254  ?   ?       ?      ? 
1 1 1   -7   13   27 o  365.947   7.7707  909.785   38.536  909.785   38.536   0.0000   0.0000  365.947   7.7707  ?   ?       ?      ? 
1 1 1   -7   13   28 o  400.481   7.0166  1099.65   36.224  1118.54   44.999  1064.86   61.059  405.688   8.1851  395.274   11.399 10.41370 14.03326 
1 1 1   -7   13   29 o  267.627   9.5726  487.375   34.717   0.0000   0.0000  487.375   34.717  ?   ?   267.627   9.5726      ?      ? 
1 1 1   -7   13   30 f  225.685   5.3159  340.438   14.511  333.825   16.960  358.506   28.033  221.794   5.6426  229.576   9.0108 -7.781326 10.63171 
1 1 1   -7   13   31 o  135.334   5.3819  118.635   9.0751  110.505   10.717  139.247   17.063  127.585   6.1983  143.082   8.8000 -15.49668 10.76375 
1 1 1   -7   13   32 o  251.328   5.5075  434.696   16.705  441.369   19.669  417.419   31.648  255.015   5.6915  247.642   9.4306 7.372925 11.01495 
1 1 1   -7   13   33 o  276.683   5.5855  513.138   18.509  505.076   21.528  535.995   36.247  272.780   5.8238  280.585   9.5329 -7.804291 11.17110 
1 1 1   -7   13   34 o  101.784   5.9085   66.186   7.6545   58.959   9.1526   83.005   13.962   93.149   7.2508  110.420   9.3309 -17.27122 11.81693 
1 1 1   -7   13   35 o  239.544   5.7330  391.525   17.750  394.582   22.059  385.912   29.894  241.010   6.7541  238.079   9.2657 2.931213 11.46608 
1 1 1   -7   13   36 o  236.074   4.7602  378.328   15.222  388.838   21.909  368.519   21.166  239.239   6.7578  232.909   6.7060 6.329987 9.520408 
1 1 1   -7   13   37 o  169.753   4.7339  195.995   10.877  188.385   15.541  203.303   15.230  166.505   6.8875  173.000   6.4963 -6.494247 9.467813 
1 1 1   -7   13   38 f  185.255   5.8788  227.003   13.617  250.422   25.123  217.261   16.203  191.692   9.6712  178.819   6.6866 12.87296 11.75763 
1 1 1   -7   13   39 o  305.525   10.509  636.955   43.511  636.955   43.511   0.0000   0.0000  305.525   10.509  ?   ?       ?      ? 
1 1 1   -7   13   40 o  296.575   5.1031  597.517   20.497  612.028   29.619  584.180   28.395  300.018   7.2851  293.132   7.1481 6.886078 10.20626 
1 1 1   -7   13   41 f  212.979   4.8189  307.948   13.895  316.545   20.185  300.206   19.156  215.792   6.9026  210.166   6.7262 5.625900 9.637814 
1 1 1   -7   13   42 o  242.519   4.8808  399.850   16.034  399.957   23.014  399.750   22.350  242.538   7.0021  242.499   6.8013 0.3892517E-01 9.761528 
1 1 1   -7   13   43 o  157.570   4.9544  168.651   10.554  171.351   15.519  166.328   14.396  158.725   7.2148  156.415   6.7919 2.310471 9.908728 
1 1 1   -7   13   44 o  221.738   4.8497  334.303   14.561  334.757   21.020  333.884   20.190  221.867   6.9914  221.608   6.7231 0.2590179 9.699434 
1 1 1   -7   13   45 o  179.040   6.0735  217.742   14.029  216.174   17.335  220.718   23.883  178.263   7.1759  179.818   9.8009 -1.554810 12.14710 
1 1 1   -7   13   46 o  245.845   9.9281  412.746   33.076   0.0000   0.0000  412.746   33.076  ?   ?   245.845   9.9281      ?      ? 
1 1 1   -7   13   47 o  132.558   5.4611  118.999   9.7542  125.468   14.743  113.962   13.008  135.720   8.0162  129.396   7.4184 6.323868 10.92210 
1 1 1   -7   13   48 o   90.879   7.9072   47.338   8.6315   92.614   16.469   30.192   10.135  116.375   10.443   65.383   11.876 50.99229 15.81445 
1 1 1   -7   13   49 o   48.293   17.197   14.105   14.176   14.105   14.176   0.0000   0.0000   48.293   17.197  ?   ?       ?      ? 
1 1 1   -7   13   50 o  232.989   6.1207  375.134   18.421  387.137   23.034  353.837   30.683  238.481   7.1273  227.497   9.9526 10.98410 12.24148 
1 1 1   -7   13   51 o  193.113   5.9528  254.282   15.098  253.961   19.127  254.812   24.594  193.111   7.3091  193.115   9.3978 -0.4608154E-02 11.90553 
1 1 1   -7   13   52 o  191.106   4.9867  248.482   12.868  251.086   19.065  246.302   17.440  191.988   7.3280  190.225   6.7653 1.762817 9.973430 
1 1 1   -7   13   53 o  129.418   5.4792  114.698   9.5098  110.517   14.379  117.948   12.679  127.248   8.3384  131.587   7.1103 -4.338806 10.95832 
1 1 1   -7   13   54 f   91.395   6.5031   55.563   7.9335   66.876   12.616   48.163   10.204   98.858   9.4173   83.933   8.9709 14.92584 13.00628 
1 1 1   -7   13   55 o   93.558   8.8957   66.153   9.2527   51.501   17.652   71.703   10.865   84.620   15.980  102.497   7.8222 -17.87669 17.79148 
1 1 1   -7   13   56 o  184.693   6.2014  227.156   14.195  248.944   26.547  218.432   16.798  190.388   10.289  178.998   6.9252 11.39023 12.40278 
1 1 1   -7   13   57 o  150.351   5.3320  154.623   10.794  152.130   16.136  156.641   14.521  149.182   7.9817  151.520   7.0720 -2.338364 10.66401 
1 1 1   -7   13   58 o  149.920   6.8071  159.666   12.396  142.158   22.714  167.091   14.793  143.377   11.691  156.463   6.9767 -13.08656 13.61413 
1 1 1   -7   13   59 o  125.219   6.9708  108.360   10.607  106.938   19.973  108.918   12.518  124.204   11.867  126.234   7.3179 -2.029739 13.94164 
1 1 1   -7   13   60 o   61.977   8.8528   28.688   7.1413   20.258   11.005   34.820   9.3858   52.866   14.784   71.087   9.7430 -18.22116 17.70560 
1 1 1   -7   13   61 o   95.105   8.0018   62.772   9.9705   62.664   12.594   62.953   16.321   95.293   9.7523   94.918   12.689 0.3746033 16.00356 
1 1 1   -7   13   62 o   76.513   7.3745   39.959   7.5607   49.442   11.428   32.578   10.083   84.536   9.9756   68.489   10.864 16.04653 14.74903 
1 1 1   -7   13   63 o   78.643   6.9751   43.008   7.3525   41.675   11.151   44.034   9.7796   77.422   10.628   79.865   9.0362 -2.443024 13.95022 
1 1 1   -7   13   64 o  135.022   7.1635  125.131   13.107   0.0000   0.0000  125.131   13.107  ?   ?   135.022   7.1635      ?      ? 
1 1 1   -7   13   65 f   63.505   8.5069   32.228   6.9166   14.841   10.495   45.576   9.1960   45.777   14.822   81.234   8.3537 -35.45704 17.01386 
1 1 1   -7   13   66 o   53.054   9.0300   21.136   6.3907   17.999   9.9162   23.364   8.3578   49.375   14.113   56.733   11.268 -7.358643 18.06004 
1 1 1   -7   13   67 o   33.872   9.1383   6.1310   5.8242   4.5948   8.9970   7.2391   7.6412   33.194   13.254   34.549   12.584 -1.354893 18.27659 
1 1 1   -7   13   68 o   86.106   6.3455   50.845   7.3322   61.832   11.148   42.469   9.7337   94.234   8.7301   77.979   9.2113 16.25546 12.69103 
1 1 1   -7   13   69 o   91.771   8.4611   66.591   8.9078   46.734   15.482   76.418   10.891   78.555   15.092  104.987   7.6552 -26.43243 16.92224 
1 1 1   -7   13   70 o   63.341   10.043   32.135   8.8798   16.448   13.400   44.419   11.857   47.784   16.748   78.897   11.090 -31.11310 20.08696 
1 1 1   -7   13   71 o   33.470   9.8545   1.2911   7.5144   9.1080   11.822  -4.0079   9.7336   39.753   15.395   27.188   12.306 12.56459 19.70903 
1 1 1   -7   13   72 o   85.741   7.7024   50.225   8.4244   60.825   15.174   45.502   10.129   91.298   12.265   80.185   9.3216 11.11342 15.40485 
1 1 1   -7   13   73 o   80.266   10.185   52.114   10.341   32.828   15.382   68.020   13.969   63.316   17.393   97.217   10.603 -33.90132 20.37010 
1 1 1   -7   13   74 o   71.138   17.358   41.682   16.585   0.0000   0.0000   41.682   16.585  ?   ?    71.138   17.358      ?      ? 
1 1 1   -7   13   75 o   59.853   10.374   24.847   10.134   4.2418   13.400   52.370   15.488   36.608   15.536   83.099   13.753 -46.49094 20.74862 
1 1 1   -7   13   76 o   92.895   10.113   66.283   11.998   46.428   16.189   90.477   17.871   75.363   16.324  110.426   11.942 -35.06383 20.22599 
1 1 1   -7   13   77 o   69.598   16.594   40.306   15.430   0.0000   0.0000   40.306   15.430  ?   ?    69.598   16.594      ?      ? 
1 1 1   -7   13   78 o   77.101   10.629   47.720   10.679   45.493   14.489   50.369   15.802   75.340   14.719   78.861   15.338 -3.520943 21.25845 
1 1 1   -7   13   79 o   40.145   10.417   2.1867   9.1456 -15.2921   11.972   26.686   14.173   24.580   11.874   55.710   17.119 -31.13049 20.83395 
1 1 1   -7   13   80 o   56.462   11.955   27.544   9.8045   27.468   12.900   27.648   15.086   56.905   16.039   56.020   17.732 0.8848267 23.90977 
1 1 1   -7   13   81 o   72.012   11.120   43.230   10.485   40.928   13.961   46.208   15.879   70.313   15.102   73.712   16.326 -3.398598 22.24042 
1 1 1   -7   13   82 o   51.112   12.131   22.471   9.8695   18.229   12.966   28.314   15.219   46.460   16.457   55.765   17.826 -9.304970 24.26138 
1 1 1   -7   13   83 o   52.040   12.001   24.351   9.6650   23.998   12.741   24.830   14.832   52.050   16.271   52.029   17.645 0.2095795E-01 24.00159 
1 1 1   -7   13   84 o   29.849   9.6313  -2.2654   8.5557  -0.8540   11.052  -4.3758   13.515   29.453   13.242   30.245   13.989 -0.7918129 19.26253 
1 1 1   -7   13   85 o   36.853   10.980   7.7368   9.2747   5.0017   12.230   11.439   14.228   34.032   14.651   39.674   16.359 -5.641949 21.96066 
1 1 1   -7   13   86 o   46.942   16.608   20.878   13.201   20.878   13.201   0.0000   0.0000   46.942   16.608  ?   ?       ?      ? 
1 1 1   -7   13   87 o   40.925   16.048   14.938   12.969   14.938   12.969   0.0000   0.0000   40.925   16.048  ?   ?       ?      ? 
1 1 1   -7   13   88 o   32.516   14.256   4.8236   12.030   4.8236   12.030   0.0000   0.0000   32.516   14.256  ?   ?       ?      ? 
1 1 1   -7   13   89 f   55.530   17.093   32.935   14.123   32.935   14.123   0.0000   0.0000   55.530   17.093  ?   ?       ?      ? 
1 1 1   -7   14    1 o  191.640   4.7413  249.318   12.295  249.865   16.951  248.711   17.862  191.871   6.5193  191.409   6.8861 0.4623566 9.482608 
1 1 1   -7   14    2 o  188.340   4.7102  241.319   11.991  251.172   16.608  230.587   17.333  192.380   6.3704  184.300   6.9399 8.079773 9.420418 
1 1 1   -7   14    3 f  171.505   4.7342  199.820   10.976  202.220   15.063  197.103   16.028  172.615   6.4393  170.395   6.9414 2.220627 9.468305 
1 1 1   -7   14    4 o  178.548   4.7437  216.544   11.451  218.745   15.710  214.050   16.726  179.529   6.4574  177.568   6.9508 1.960098 9.487443 
1 1 1   -7   14    5 o  177.681   4.7548  214.127   11.422  211.882   15.596  216.724   16.777  176.687   6.5135  178.675   6.9288 -1.987549 9.509662 
1 1 1   -7   14    6 o  182.794   4.7714  226.395   11.800  219.928   16.153  233.797   17.281  180.005   6.6219  185.582   6.8715 -5.576340 9.542872 
1 1 1   -7   14    7 o  320.808   5.1982  699.120   22.589  711.255   31.661  686.539   32.237  323.657   7.2186  317.959   7.4817 5.697632 10.39638 
1 1 1   -7   14    8 o  307.490   5.1313  640.535   21.348  617.194   29.212  667.290   31.275  301.501   7.1497  313.479   7.3622 -11.97806 10.26251 
1 1 1   -7   14    9 o  230.712   4.8042  361.129   14.995  357.944   20.581  364.733   21.893  229.640   6.6137  231.785   6.9700 -2.144867 9.608409 
1 1 1   -7   14   10 o  178.938   4.7613  216.862   11.524  209.927   15.726  224.904   16.934  175.862   6.5989  182.014   6.8655 -6.151993 9.522668 
1 1 1   -7   14   11 o  318.066   5.1927  686.423   22.365  673.136   30.929  700.984   32.378  314.852   7.2491  321.281   7.4368 -6.428558 10.38535 
1 1 1   -7   14   12 o  241.007   5.7139  385.898   17.596  369.519   21.350  420.586   31.071  233.309   6.7529  248.706   9.2192 -15.39682 11.42780 
1 1 1   -7   14   13 o  295.734   6.1504  593.905   23.531  592.557   29.201  596.403   39.739  295.395   7.2948  296.074   9.9044 -0.6787109 12.30086 
1 1 1   -7   14   14 o  230.139   5.8384  362.715   17.494  370.389   22.015  349.568   28.815  233.564   6.9556  226.714   9.3792 6.850143 11.67688 
1 1 1   -7   14   15 o  163.539   5.2587  175.597   10.333  168.994   11.981  194.770   20.416  157.821   5.6019  169.256   8.9013 -11.43449 10.51737 
1 1 1   -7   14   16 o  283.223   5.7060  551.304   19.197  558.231   22.382  532.031   37.334  286.824   5.7585  279.621   9.8526 7.202515 11.41199 
1 1 1   -7   14   17 o  289.956   5.7780  582.735   19.894  595.595   23.250  547.583   38.439  296.262   5.7913  283.651   10.000 12.61066 11.55608 
1 1 1   -7   14   18 o  166.013   5.3033  186.880   10.551  186.498   12.316  187.934   20.454  165.793   5.4819  166.233   9.0800 -0.4399567 10.60650 
1 1 1   -7   14   19 o  165.642   5.2449  180.714   10.408  174.617   12.057  198.537   20.616  160.420   5.5464  170.865   8.9035 -10.44446 10.48974 
1 1 1   -7   14   20 o  145.453   5.3704  142.915   9.3856  141.967   10.960  145.523   18.177  144.643   5.5913  146.263   9.1707 -1.619232 10.74078 
1 1 1   -7   14   21 o  228.037   5.4341  354.948   14.749  356.730   17.181  349.958   28.754  229.285   5.5297  226.789   9.3562 2.495773 10.86810 
1 1 1   -7   14   22 o  176.878   5.5426  212.301   13.285  212.301   13.285   0.0000   0.0000  176.878   5.5426  ?   ?       ?      ? 
1 1 1   -7   14   23 o  248.671   5.6221  419.654   18.945  419.654   18.945   0.0000   0.0000  248.671   5.6221  ?   ?       ?      ? 
1 1 1   -7   14   24 o  264.141   5.5595  465.497   17.411  456.486   20.121  492.356   34.738  259.342   5.7253  268.940   9.5317 -9.598053 11.11901 
1 1 1   -7   14   25 o  271.691   5.9760  497.048   20.846  486.811   25.539  517.486   36.084  267.695   7.0400  275.686   9.6586 -7.990540 11.95202 
1 1 1   -7   14   26 o  278.628   6.0291  524.473   21.581  516.931   26.495  539.342   37.201  275.839   7.0879  281.417   9.7549 -5.577972 12.05811 
1 1 1   -7   14   27 f  302.134   5.8261  614.119   20.862  607.124   24.149  634.696   41.417  299.047   5.9590  305.221   10.013 -6.173920 11.65229 
1 1 1   -7   14   28 o  273.966   6.1616  522.223   22.010  558.943   28.167  464.647   35.270  286.791   7.2475  261.140   9.9667 25.65106 12.32321 
1 1 1   -7   14   29 o  194.398   5.3775  257.067   12.573  257.249   14.717  256.575   24.189  194.675   5.5785  194.121   9.1951 0.5536652 10.75496 
1 1 1   -7   14   30 f  123.149   5.7352  103.594   8.6761  104.198   10.306  102.123   16.074  123.871   6.1397  122.428   9.6889 1.443329 11.47042 
1 1 1   -7   14   31 o  163.817   5.4533  185.508   10.814  189.382   12.776  175.715   20.312  167.022   5.6445  160.613   9.3324 6.408844 10.90665 
1 1 1   -7   14   32 o  182.955   5.4141  227.630   12.017  227.630   14.139  227.630   22.810  183.104   5.6980  182.807   9.2078 0.2976074 10.82826 
1 1 1   -7   14   33 o  270.342   5.6681  496.680   18.384  496.036   21.479  498.443   35.551  270.272   5.8645  270.411   9.7015 -0.1385193 11.33627 
1 1 1   -7   14   34 o  283.964   5.8143  554.532   19.814  561.353   23.234  536.346   37.938  287.497   5.9636  280.430   9.9831 7.066650 11.62868 
1 1 1   -7   14   35 o  203.482   6.0377  288.328   16.118  312.550   20.908  252.849   25.304  214.399   7.1962  192.565   9.6970 21.83447 12.07543 
1 1 1   -7   14   36 o  195.870   5.9476  262.847   15.324  268.238   19.570  254.302   24.639  198.604   7.2715  193.136   9.4139 5.467133 11.89526 
1 1 1   -7   14   37 o  228.469   5.5508  356.000   15.379  356.961   18.102  353.507   29.157  229.249   5.8269  227.689   9.4496 1.560440 11.10170 
1 1 1   -7   14   38 o  225.251   5.5061  342.675   15.018  339.475   17.609  351.213   28.764  223.557   5.8126  226.944   9.3531 -3.386139 11.01211 
1 1 1   -7   14   39 o  128.804   6.2240  112.496   10.495  110.886   13.190  115.274   17.328  127.647   7.6250  129.960   9.8393 -2.312531 12.44803 
1 1 1   -7   14   40 o  186.974   6.6983  237.697   16.972   0.0000   0.0000  237.697   16.972  ?   ?   186.974   6.6983      ?      ? 
1 1 1   -7   14   41 f  190.896   4.8739  247.946   12.598  245.272   18.135  250.440   17.513  189.885   7.0478  191.908   6.7342 -2.022980 9.747824 
1 1 1   -7   14   42 o  161.196   6.6787  189.121   13.512  218.780   17.121  140.141   22.001  179.328   7.0451  143.064   11.348 36.26352 13.35738 
1 1 1   -7   14   43 o  185.563   6.8002  234.218   17.100   0.0000   0.0000  234.218   17.100  ?   ?   185.563   6.8002      ?      ? 
1 1 1   -7   14   44 o  165.807   4.9634  187.097   11.135  186.579   16.192  187.562   15.337  165.569   7.2169  166.045   6.8160 -0.4755249 9.926794 
1 1 1   -7   14   45 o   98.775   7.1916   67.738   9.4138   72.580   12.376   61.089   14.501  103.138   8.8548   94.412   11.334 8.725792 14.38318 
1 1 1   -7   14   46 o  248.412   6.0429  422.274   19.492  425.672   24.364  416.233   32.486  250.049   7.1903  246.776   9.7142 3.272430 12.08583 
1 1 1   -7   14   47 o  161.145   5.2300  176.960   11.397  175.546   16.626  178.215   15.654  160.508   7.6439  161.782   7.1402 -1.273499 10.46002 
1 1 1   -7   14   48 f  202.092   4.9819  278.800   13.602  267.255   19.766  289.184   18.746  198.062   7.3645  206.122   6.7112 -8.060623 9.963736 
1 1 1   -7   14   49 o  113.065   5.9298   88.990   8.8967   75.686   13.341   99.646   11.939  105.201   9.3578  120.929   7.2856 -15.72809 11.85957 
1 1 1   -7   14   50 o   98.769   6.1117   65.793   8.1093   73.129   12.513   60.482   10.648  103.427   8.9279   94.112   8.3490 9.315491 12.22349 
1 1 1   -7   14   51 o   52.768   9.4924   18.924   6.7583   26.308   10.876   14.279   8.6257   60.495   13.598   45.040   13.248 15.45567 18.98477 
1 1 1   -7   14   52 o  101.178   7.3384   63.805   9.1472   86.496   17.961   55.859   10.629  111.991   11.835   90.365   8.6796 21.62621 14.67682 
1 1 1   -7   14   53 o  107.355   7.2965   80.266   9.4983   76.847   17.809   81.625   11.229  105.381   12.470  109.329   7.5791 -3.947685 14.59299 
1 1 1   -7   14   54 o  123.296   10.700  104.745   17.878   0.0000   0.0000  104.745   17.878  ?   ?   123.296   10.700      ?      ? 
1 1 1   -7   14   55 o   73.244   11.450   42.697   11.243   22.472   18.356   54.839   14.223   57.505   19.629   88.983   11.795 -31.47759 22.89984 
1 1 1   -7   14   56 o  144.923   8.0847  143.911   15.878  143.911   15.878   0.0000   0.0000  144.923   8.0847  ?   ?       ?      ? 
1 1 1   -7   14   57 o  119.618   5.6885   98.268   9.1366   96.995   13.839   99.251   12.164  118.830   8.5942  120.407   7.4551 -1.576523 11.37709 
1 1 1   -7   14   58 o  162.962   6.3883  182.852   13.555  182.693   16.972  183.131   22.524  163.234   7.6725  162.691   10.216 0.5436401 12.77666 
1 1 1   -7   14   59 o  146.881   6.5156  148.599   12.550  147.679   15.851  150.145   20.546  146.611   7.9781  147.152   10.303 -0.5419464 13.03115 
1 1 1   -7   14   60 o   99.271   6.1660   68.922   8.1230   62.602   12.481   73.567   10.699   95.060   9.6884  103.482   7.6298 -8.422020 12.33204 
1 1 1   -7   14   61 o   40.357   9.6488   9.9364   6.2348   15.548   10.122   6.5057   7.9146   46.566   14.493   34.149   12.742 12.41666 19.29769 
1 1 1   -7   14   62 o   55.951   8.9189   22.242   6.5860   29.390   10.226   17.175   8.6093   63.540   12.321   48.363   12.899 15.17673 17.83789 
1 1 1   -7   14   63 o   64.312   8.4009   32.345   6.8409   17.887   10.327   43.649   9.1317   49.241   14.500   79.383   8.4887 -30.14162 16.80175 
1 1 1   -7   14   64 o   40.696   9.5177   11.648   6.1265   9.3588   9.6500   13.193   7.9295   38.786   14.139   42.605   12.745 -3.819706 19.03547 
1 1 1   -7   14   65 o   50.276   9.3095   18.411   6.3458   21.937   9.9695   16.009   8.2279   54.083   13.613   46.470   12.703 7.612827 18.61893 
1 1 1   -7   14   66 o   53.275   9.0704   20.669   6.4476   26.065   9.9750   16.797   8.4502   59.117   12.821   47.433   12.834 11.68349 18.14087 
1 1 1   -7   14   67 o  120.286   6.9357  101.662   10.356  103.227   18.891  100.989   12.383  119.977   11.619  120.596   7.5771 -0.6200104 13.87139 
1 1 1   -7   14   68 o   67.320   10.767   35.600   9.5192   31.896   14.709   38.270   12.487   63.352   16.843   71.287   13.418 -7.935616 21.53440 
1 1 1   -7   14   69 o   27.829   12.463  -2.7571   9.6878   0.0000   0.0000  -2.7571   9.6878  ?   ?    27.829   12.463      ?      ? 
1 1 1   -7   14   70 o   47.222   13.139   17.079   8.7154   0.0000   0.0000   17.079   8.7154  ?   ?    47.222   13.139      ?      ? 
1 1 1   -7   14   71 o   70.805   9.3653   36.987   8.1053   40.665   14.802   35.412   9.6866   71.419   15.720   70.190   10.184 1.229362 18.73054 
1 1 1   -7   14   72 o   32.523   10.140  -0.3759   8.7108  -0.7888   12.053   0.0755   12.603   31.937   14.126   33.108   14.552 -1.170769 20.28024 
1 1 1   -7   14   73 o   50.177   11.927   20.352   9.5978   21.592   13.493   19.081   13.656   51.430   16.815   48.924   16.921 2.506222 23.85452 
1 1 1   -7   14   74 o   63.838   10.683   31.698   10.400   11.828   14.121   55.251   15.374   42.443   16.712   85.232   13.311 -42.78957 21.36551 
1 1 1   -7   14   75 o   75.630   15.921   46.904   15.801   0.0000   0.0000   46.904   15.801  ?   ?    75.630   15.921      ?      ? 
1 1 1   -7   14   76 o   53.684   12.034   24.592   9.8120   25.366   13.052   23.586   14.879   54.847   16.339   52.521   17.673 2.326565 24.06866 
1 1 1   -7   14   77 o   34.793   10.526   3.7943   8.7722   3.0563   11.735   4.7289   13.206   33.532   14.392   36.054   15.365 -2.521751 21.05251 
1 1 1   -7   14   78 o   33.970   10.440   2.5650   8.8420   1.8931   11.583   3.5031   13.688   32.438   14.110   35.501   15.391 -3.063641 20.88004 
1 1 1   -7   14   79 o   88.744   9.9185   63.107   11.541   64.307   15.478   61.605   17.320   91.321   12.507   86.168   15.397 5.153053 19.83692 
1 1 1   -7   14   80 o   84.086   10.298   56.714   11.345   45.963   15.021   70.993   17.311   73.618   15.544   94.553   13.510 -20.93552 20.59501 
1 1 1   -7   14   81 o   41.180   11.416   10.798   9.5327   3.0523   12.445   21.796   14.829   33.407   14.577   48.952   17.572 -15.54453 22.83137 
1 1 1   -7   14   82 o   52.161   11.977   25.397   9.7083   26.519   13.121   24.040   14.431   53.771   16.463   50.550   17.400 3.221161 23.95344 
1 1 1   -7   14   83 o   56.744   12.068   30.008   10.268   21.607   13.715   40.722   15.488   47.858   16.929   65.630   17.204 -17.77269 24.13667 
1 1 1   -7   14   84 f   60.380   16.671   34.879   14.089   34.879   14.089   0.0000   0.0000   60.380   16.671  ?   ?       ?      ? 
1 1 1   -7   14   85 o   34.392   14.763   6.8920   12.351   6.8920   12.351   0.0000   0.0000   34.392   14.763  ?   ?       ?      ? 
1 1 1   -7   14   86 o   32.077   14.290   3.8018   12.557   3.8018   12.557   0.0000   0.0000   32.077   14.290  ?   ?       ?      ? 
1 1 1   -7   14   87 o   29.043   13.394  -0.5147   12.258  -0.5147   12.258   0.0000   0.0000   29.043   13.394  ?   ?       ?      ? 
1 1 1   -7   15    1 o  245.951   4.8660  410.521   16.198  404.218   22.290  417.575   23.580  243.964   6.7423  247.938   7.0181 -3.973846 9.732046 
1 1 1   -7   15    2 f  164.244   4.8334  182.566   10.724  175.485   14.499  191.120   15.935  160.750   6.6561  167.738   7.0102 -6.987625 9.666772 
1 1 1   -7   15    3 o  125.066   5.1230  105.543   8.6468   98.569   11.603  114.254   12.968  120.457   7.1080  129.674   7.3794 -9.217026 10.24592 
1 1 1   -7   15    4 o  116.572   5.2957   92.899   8.3112   99.152   11.386   85.767   12.160  120.820   6.9544  112.325   7.9884 8.495216 10.59141 
1 1 1   -7   15    5 o  164.726   4.8581  185.054   10.800  198.415   15.007  170.701   15.554  170.940   6.4784  158.511   7.2412 12.42947 9.716188 
1 1 1   -7   15    6 o  244.575   4.8983  404.326   16.194  376.289   22.004  437.461   23.921  235.372   6.8986  253.778   6.9557 -18.40643 9.796558 
1 1 1   -7   15    7 o  147.524   6.3888  152.634   11.959  134.408   20.252  162.394   14.819  140.434   10.642  154.614   7.0728 -14.18025 12.77766 
1 1 1   -7   15    8 o  113.070   6.9853   88.870   10.009   81.799   17.216   92.479   12.301  109.494   11.603  116.645   7.7819 -7.150848 13.97056 
1 1 1   -7   15    9 o  189.501   4.8530  243.378   12.446  233.835   17.069  254.212   18.186  185.549   6.7884  193.454   6.9370 -7.905670 9.705901 
1 1 1   -7   15   10 o  183.381   4.8005  228.037   11.902  223.232   16.221  233.641   17.518  181.304   6.6023  185.458   6.9706 -4.154465 9.600963 
1 1 1   -7   15   11 o   75.638   6.7895   39.505   6.8260   42.403   9.0318   35.646   10.424   78.960   8.4408   72.316   10.637 6.644104 13.57904 
1 1 1   -7   15   12 o  136.561   5.9432  125.422   10.417  122.539   12.751  131.207   18.064  134.306   7.0059  138.816   9.6024 -4.510208 11.88649 
1 1 1   -7   15   13 o  275.629   5.6769  514.816   18.420  513.065   21.290  520.029   36.737  274.935   5.7143  276.323   9.8109 -1.388428 11.35373 
1 1 1   -7   15   14 o  183.952   5.3789  226.300   11.656  222.618   13.434  237.510   23.442  181.113   5.4737  186.790   9.2611 -5.677063 10.75772 
1 1 1   -7   15   15 o  193.674   5.9122  260.394   14.824  274.693   18.707  236.266   24.301  201.088   6.8651  186.260   9.6275 14.82721 11.82448 
1 1 1   -7   15   16 o  252.520   5.6106  432.527   16.662  431.469   19.252  435.683   33.258  252.125   5.6347  252.915   9.7039 -0.7902679 11.22119 
1 1 1   -7   15   17 o  322.798   6.0463  707.471   26.449  707.471   26.449   0.0000   0.0000  322.798   6.0463  ?   ?       ?      ? 
1 1 1   -7   15   18 o  220.778   5.5743  330.853   16.677  330.853   16.677   0.0000   0.0000  220.778   5.5743  ?   ?       ?      ? 
1 1 1   -7   15   19 o  215.962   6.0957  329.020   17.006  365.053   21.797  272.973   27.185  231.790   6.9395  200.134   10.024 31.65681 12.19136 
1 1 1   -7   15   20 o  263.044   5.6519  470.058   17.588  469.500   20.391  471.680   34.759  262.980   5.7217  263.108   9.7487 -0.1278076 11.30373 
1 1 1   -7   15   21 o  179.043   5.3654  212.427   11.443  206.635   13.234  229.590   22.781  174.469   5.5973  183.616   9.1553 -9.147552 10.73082 
1 1 1   -7   15   22 o  111.246   6.1752   86.876   8.1569   89.947   9.5690   78.714   15.601  115.085   6.1357  107.407   10.719 7.678116 12.35049 
1 1 1   -7   15   23 o  154.630   5.5224  161.881   10.212  161.049   11.898  164.210   19.901  154.015   5.7008  155.246   9.4598 -1.230225 11.04473 
1 1 1   -7   15   24 o  134.683   5.6626  121.658   9.1486  119.700   10.650  127.174   17.873  132.767   5.9192  136.598   9.6551 -3.831680 11.32512 
1 1 1   -7   15   25 f  196.857   5.5102  264.618   12.940  265.756   15.091  261.456   25.148  197.844   5.6289  195.870   9.4743 1.973160 11.02034 
1 1 1   -7   15   26 o  268.505   5.6686  484.125   18.048  477.416   20.885  503.903   35.860  265.149   5.8126  271.862   9.7337 -6.712524 11.33712 
1 1 1   -7   15   27 o  146.130   5.6182  146.885   9.9440  148.899   11.729  141.739   18.751  148.072   5.8454  144.188   9.5963 3.883591 11.23643 
1 1 1   -7   15   28 o  161.438   5.5611  180.602   10.830  184.710   12.773  170.098   20.423  164.924   5.7153  157.951   9.5414 6.972733 11.12217 
1 1 1   -7   15   29 o  211.680   6.1216  315.955   16.823  353.345   21.768  260.499   26.510  227.966   7.0465  195.393   10.012 32.57295 12.24312 
1 1 1   -7   15   30 o  128.465   5.8636  113.455   9.1967  114.916   10.901  109.845   17.131  130.053   6.1852  126.876   9.9635 3.177216 11.72725 
1 1 1   -7   15   31 o  139.533   6.0927  129.951   11.301  119.821   14.414  146.111   18.205  132.670   8.0171  146.397   9.1767 -13.72704 12.18544 
1 1 1   -7   15   32 o  102.824   6.9676   70.775   9.6061   62.789   12.526   82.178   14.968   95.933   9.6353  109.715   10.067 -13.78172 13.93519 
1 1 1   -7   15   33 o  165.901   6.0520  188.349   13.261  191.313   17.027  183.779   21.142  167.675   7.4935  164.127   9.5056 3.547821 12.10409 
1 1 1   -7   15   34 o  170.969   5.5160  194.004   11.454  188.038   13.389  210.288   22.120  166.360   5.9391  175.579   9.2969 -9.218597 11.03203 
1 1 1   -7   15   35 o  187.755   5.5491  235.820   12.742  230.452   14.987  249.820   24.201  184.157   6.0054  191.352   9.3330 -7.194366 11.09819 
1 1 1   -7   15   36 o  162.084   5.8025  179.324   11.701  179.851   14.019  178.115   21.246  162.654   6.3601  161.514   9.7070 1.139832 11.60499 
1 1 1   -7   15   37 o  185.347   5.5488  219.334   12.651  201.277   14.765  269.176   24.531  172.066   6.3324  198.628   9.1136 -26.56209 11.09762 
1 1 1   -7   15   38 o  180.783   6.1144  222.153   14.979  222.153   14.979   0.0000   0.0000  180.783   6.1144  ?   ?       ?      ? 
1 1 1   -7   15   40 o  190.620   6.0194  251.424   14.847  260.762   18.629  235.169   24.580  195.740   7.0232  185.500   9.7780 10.23984 12.03886 
1 1 1   -7   15   41 o  163.374   5.9352  177.471   12.712  165.168   15.837  199.757   21.315  155.721   7.5050  171.027   9.1967 -15.30643 11.87032 
1 1 1   -7   15   42 o  126.813   5.8893  105.487   9.5492   97.778   11.530  122.324   17.039  119.836   7.1000  133.791   9.3982 -13.95538 11.77863 
1 1 1   -7   15   43 o  190.024   5.5811  247.775   13.178  250.208   15.802  242.221   23.880  191.807   6.0794  188.242   9.3614 3.565384 11.16218 
1 1 1   -7   15   44 o  171.402   5.0176  198.937   11.611  213.529   17.367  187.144   15.612  177.033   7.2391  165.770   6.9499 11.26266 10.03525 
1 1 1   -7   15   45 o  198.680   4.9563  269.563   13.304  258.724   19.339  279.302   18.331  194.829   7.3247  202.530   6.6789 -7.700867 9.912558 
1 1 1   -7   15   46 f  143.083   5.2772  139.854   10.162  137.543   15.222  141.713   13.649  141.958   7.9126  144.209   6.9846 -2.251663 10.55431 
1 1 1   -7   15   47 o  120.115   5.5315   99.169   8.8867   93.897   13.500  103.201   11.805  117.196   8.5004  123.033   7.0806 -5.836777 11.06304 
1 1 1   -7   15   48 o   54.588   9.2986   21.065   6.6907   23.655   10.636   19.368   8.6069   57.251   13.858   51.925   12.402 5.326012 18.59720 
1 1 1   -7   15   49 o  118.257   6.7279   89.984   9.7603  110.277   18.997   82.705   11.377  126.483   11.083  110.030   7.6300 16.45234 13.45571 
1 1 1   -7   15   50 o   58.303   11.215   24.222   8.5390   0.0000   0.0000   24.222   8.5390  ?   ?    58.303   11.215      ?      ? 
1 1 1   -7   15   51 o  103.530   8.0189   80.574   9.5095   61.486   18.156   87.790   11.163   93.718   14.296  113.342   7.2680 -19.62463 16.03771 
1 1 1   -7   15   52 o  119.968   7.3234  103.833   10.344   89.938   19.724  109.105   12.149  113.596   12.813  126.341   7.0962 -12.74577 14.64687 
1 1 1   -7   15   53 f  155.218   5.1432  164.040   10.759  172.442   16.239  157.467   14.363  158.684   7.5518  151.753   6.9843 6.930481 10.28643 
1 1 1   -7   15   54 f  156.842   5.2405  169.044   11.074  163.196   16.400  173.945   15.014  154.236   7.8464  159.447   6.9488 -5.210739 10.48101 
1 1 1   -7   15   55 o  114.433   7.0119   90.492   10.560   90.036   13.415   91.234   17.121  114.341   8.6578  114.525   11.032 -0.1835175 14.02375 
1 1 1   -7   15   56 o  107.363   7.1120   78.927   10.125   75.151   12.911   84.957   16.316  104.292   9.1354  110.435   10.903 -6.143417 14.22403 
1 1 1   -7   15   57 o   79.052   7.0659   42.308   7.4652   50.721   11.803   36.699   9.6376   85.392   10.200   72.712   9.7810 12.68022 14.13188 
1 1 1   -7   15   58 o   75.956   7.5864   42.268   7.2838   33.806   11.223   48.427   9.5740   68.193   12.609   83.719   8.4389 -15.52631 15.17273 
1 1 1   -7   15   59 o  109.531   7.3078   85.572   9.6450   80.015   18.090   87.779   11.401  106.179   12.573  112.882   7.4528 -6.703476 14.61551 
1 1 1   -7   15   60 o   36.522   10.792   3.4310   8.8587   2.5152   13.622   4.1022   11.662   37.061   15.692   35.984   14.821 1.077183 21.58456 
1 1 1   -7   15   61 o   81.293   8.1980   45.049   8.8443   37.656   11.221   57.175   14.371   72.910   11.357   89.676   11.826 -16.76630 16.39593 
1 1 1   -7   15   62 o   46.877   9.4595   15.457   6.4073   22.529   9.9527   10.451   8.3732   54.767   13.497   38.987   13.257 15.78046 18.91901 
1 1 1   -7   15   63 o   69.255   7.5190   33.969   6.9851   34.340   10.674   33.691   9.2377   69.369   11.355   69.142   9.8592 0.2273636 15.03799 
1 1 1   -7   15   64 o   55.525   10.410   23.795   7.4590   22.353   14.224   24.341   8.7600   53.730   17.240   57.321   11.674 -3.590672 20.82084 
1 1 1   -7   15   65 o   29.935   13.044  -0.2997   9.9342   0.0000   0.0000  -0.2997   9.9342  ?   ?    29.935   13.044      ?      ? 
1 1 1   -7   15   66 o   58.916   11.308   27.810   9.2261   25.442   14.406   29.457   12.013   56.304   17.252   61.529   14.623 -5.225494 22.61551 
1 1 1   -7   15   67 o   73.960   8.8956   38.607   8.0979   47.169   14.850   34.984   9.6608   78.064   14.573   69.857   10.205 8.207039 17.79128 
1 1 1   -7   15   68 o   64.822   9.8139   32.670   7.6986   31.057   14.648   33.286   9.0493   61.467   17.009   68.176   9.7949 -6.708733 19.62776 
1 1 1   -7   15   69 o   88.092   9.3790   58.280   11.183   60.713   16.307   56.120   15.366   89.727   13.411   86.458   13.115 3.268745 18.75799 
1 1 1   -7   15   70 o   80.747   10.054   50.576   10.766   49.788   15.438   51.321   15.021   79.263   14.920   82.231   13.479 -2.967644 20.10741 
1 1 1   -7   15   71 o   98.085   9.5244   73.744   12.027   55.468   16.550   94.200   17.509   83.271   15.228  112.898   11.444 -29.62797 19.04883 
1 1 1   -7   15   72 o   62.606   16.952   33.238   14.735   0.0000   0.0000   33.238   14.735  ?   ?    62.606   16.952      ?      ? 
1 1 1   -7   15   73 f   52.894   17.033   23.761   13.875   0.0000   0.0000   23.761   13.875  ?   ?    52.894   17.033      ?      ? 
1 1 1   -7   15   74 o   31.858   9.9985  -0.4021   8.6592   1.9925   11.810  -3.1858   12.734   32.891   14.278   30.824   14.001 2.067125 19.99698 
1 1 1   -7   15   75 o   59.789   11.283   28.942   9.9692   15.418   13.213   46.816   15.190   44.335   16.479   75.244   15.415 -30.90941 22.56516 
1 1 1   -7   15   76 o   47.140   11.662   17.412   9.2824   11.240   12.092   26.266   14.483   39.931   15.540   54.350   17.392 -14.41863 23.32352 
1 1 1   -7   15   77 o   28.996   9.1796  -6.0766   8.3996   6.4204   10.992 -23.6136   13.022   34.892   14.382   23.100   11.411 11.79154 18.35922 
1 1 1   -7   15   78 o   43.317   15.934   15.521   12.295   15.521   12.295   0.0000   0.0000   43.317   15.934  ?   ?       ?      ? 
1 1 1   -7   15   79 o   45.593   11.466   18.148   9.6376   25.457   12.670   8.1118   14.847   53.071   16.163   38.116   16.269 14.95458 22.93284 
1 1 1   -7   15   80 o   58.631   11.936   32.048   10.000   28.294   13.559   36.526   14.808   54.900   16.721   62.363   17.038 -7.463112 23.87230 
1 1 1   -7   15   81 o   40.633   10.908   12.593   9.1408   22.681   12.641   1.5397   13.233   48.953   16.289   32.314   14.512 16.63868 21.81578 
1 1 1   -7   15   82 o   51.999   16.818   26.891   13.515   26.891   13.515   0.0000   0.0000   51.999   16.818  ?   ?       ?      ? 
1 1 1   -7   15   83 o   33.472   14.555   5.9893   12.317   5.9893   12.317   0.0000   0.0000   33.472   14.555  ?   ?       ?      ? 
1 1 1   -7   15   84 o   63.777   16.846   41.662   14.776   41.662   14.776   0.0000   0.0000   63.777   16.846  ?   ?       ?      ? 
1 1 1   -7   16    1 o  215.896   7.1391  316.857   20.887   0.0000   0.0000  316.857   20.887  ?   ?   215.896   7.1391      ?      ? 
1 1 1   -7   16    2 o  105.068   6.8630   76.962   9.5023   66.403   14.648   84.635   12.486   98.616   10.961  111.519   8.2623 -12.90259 13.72591 
1 1 1   -7   16    3 o  140.183   5.1580  133.752   9.7725  135.794   13.402  131.434   14.281  141.346   6.9966  139.020   7.5806 2.325699 10.31592 
1 1 1   -7   16    4 o  136.935   5.1722  127.644   9.5663  129.540   13.066  125.453   14.045  138.053   6.9841  135.817   7.6309 2.235947 10.34446 
1 1 1   -7   16    5 o  101.261   5.8076   69.410   7.9214   66.631   10.552   72.997   11.990   98.970   7.8678  103.552   8.5446 -4.582809 11.61520 
1 1 1   -7   16    6 o  221.964   4.8966  333.802   14.687  321.699   19.903  348.272   21.763  217.577   6.7503  226.350   7.0951 -8.773422 9.793235 
1 1 1   -7   16    7 f  197.137   4.8866  264.442   13.015  268.354   17.800  259.948   19.077  198.731   6.6095  195.543   7.1993 3.188324 9.773199 
1 1 1   -7   16    8 o  189.226   4.8946  241.976   12.505  227.924   16.825  259.316   18.690  183.136   6.7797  195.316   7.0615 -12.18005 9.789207 
1 1 1   -7   16    9 o  196.228   4.8810  262.556   12.937  278.261   17.970  245.658   18.640  202.369   6.5525  190.087   7.2361 12.28265 9.762013 
1 1 1   -7   16   10 o   99.378   5.8479   67.448   7.8111   69.192   10.479   65.268   11.717  100.860   7.6671   97.897   8.8323 2.963211 11.69587 
1 1 1   -7   16   11 o   75.686   9.5283   37.232   8.0914   34.931   9.1521   45.468   17.315   71.592   9.4336   79.781   16.558 -8.189583 19.05663 
1 1 1   -7   16   12 o  124.875   7.1307  106.014   12.067  106.014   12.067   0.0000   0.0000  124.875   7.1307  ?   ?       ?      ? 
1 1 1   -7   16   13 o  131.688   5.8684  117.771   10.472  117.771   10.472   0.0000   0.0000  131.688   5.8684  ?   ?       ?      ? 
1 1 1   -7   16   14 f  135.717   5.7689  128.736   9.2144  132.404   10.739  118.496   17.942  139.638   5.6750  131.797   10.046 7.841156 11.53783 
1 1 1   -7   16   15 o  208.545   5.4254  286.466   13.357  277.242   15.357  315.120   27.067  202.064   5.6082  215.026   9.2890 -12.96202 10.85071 
1 1 1   -7   16   16 o  210.882   5.4736  298.943   13.627  295.261   15.740  309.964   27.233  208.528   5.5699  213.235   9.4244 -4.707092 10.94729 
1 1 1   -7   16   17 o   70.018   8.6610   38.010   6.8872   42.588   8.1457   26.531   12.898   79.122   7.5971   60.914   15.567 18.20844 17.32202 
1 1 1   -7   16   18 o  157.082   5.6271  169.663   10.502  171.586   12.244  164.308   20.430  158.954   5.6841  155.210   9.7133 3.744873 11.25424 
1 1 1   -7   16   19 o  191.297   5.6368  254.412   12.698  260.162   14.779  238.200   24.816  195.734   5.5719  186.860   9.8003 8.874100 11.27353 
1 1 1   -7   16   20 o  166.262   5.5407  186.410   11.026  184.491   12.836  191.809   21.532  164.814   5.7473  167.710   9.4744 -2.895218 11.08132 
1 1 1   -7   16   21 o  148.335   5.6726  148.968   10.033  148.068   11.667  151.522   19.654  147.644   5.8314  149.026   9.7319 -1.382629 11.34525 
1 1 1   -7   16   22 o  142.490   5.8514  141.455   10.006  145.376   11.783  131.319   18.947  146.286   5.9441  138.695   10.081 7.591293 11.70280 
1 1 1   -7   16   23 o  362.092   6.4177  893.516   27.394  893.164   31.714  894.553   54.374  362.502   6.4558  361.682   11.094 0.8193054 12.83544 
1 1 1   -7   16   24 o  309.395   6.4524  641.604   25.710  618.290   31.498  688.149   44.504  301.395   7.7119  317.394   10.347 -15.99829 12.90482 
1 1 1   -7   16   25 o  268.558   5.7834  485.984   18.382  480.558   21.266  502.020   36.557  265.957   5.9006  271.160   9.9486 -5.202698 11.56686 
1 1 1   -7   16   26 o  166.099   5.6910  176.984   11.535  164.223   13.415  213.191   22.596  155.435   6.3688  176.763   9.4333 -21.32802 11.38195 
1 1 1   -7   16   27 o  264.024   6.2436  471.417   21.543  461.052   26.958  489.730   35.834  260.247   7.6440  267.802   9.8742 -7.555054 12.48718 
1 1 1   -7   16   28 o  221.913   7.0919  336.507   21.314  333.012   30.577  339.810   29.728  220.757   10.221  223.068   9.8342 -2.311569 14.18382 
1 1 1   -7   16   29 o  211.059   5.9748  302.910   16.146  301.465   19.800  305.778   27.893  210.512   6.9407  211.607   9.7272 -1.095078 11.94957 
1 1 1   -7   16   30 o  156.257   9.8559  166.793   20.870   0.0000   0.0000  166.793   20.870  ?   ?   156.257   9.8559      ?      ? 
1 1 1   -7   16   31 o  180.303   6.0022  224.461   13.847  230.591   17.114  212.840   23.563  184.106   6.8594  176.500   9.8516 7.605652 12.00443 
1 1 1   -7   16   32 o  200.538   5.9289  272.131   15.197  268.114   18.559  280.304   26.474  198.507   6.8992  202.568   9.6442 -4.060455 11.85785 
1 1 1   -7   16   33 o  150.643   6.1135  154.495   11.870  153.822   14.663  155.773   20.219  150.322   7.1983  150.963   9.8835 -0.6406860 12.22700 
1 1 1   -7   16   34 o   91.138   7.8745   56.602   9.7254   56.602   9.7254   0.0000   0.0000   91.138   7.8745  ?   ?       ?      ? 
1 1 1   -7   16   35 o   39.389   13.167   10.098   8.2579   10.098   8.2579   0.0000   0.0000   39.389   13.167  ?   ?       ?      ? 
1 1 1   -7   16   36 o  155.943   5.9515  169.067   11.272  173.264   13.361  158.705   20.996  159.612   6.1773  152.274   10.175 7.338547 11.90308 
1 1 1   -7   16   37 o  248.907   5.7275  415.940   17.179  408.270   20.041  437.181   33.352  245.016   6.0360  252.797   9.7357 -7.781174 11.45498 
1 1 1   -7   16   38 o  223.931   5.6410  332.796   15.229  322.307   17.720  362.434   29.787  217.687   6.0070  230.174   9.5497 -12.48735 11.28191 
1 1 1   -7   16   39 o  123.795   6.3496  106.435   9.7358  109.042   11.695  100.547   17.573  126.535   6.8200  121.055   10.713 5.480553 12.69926 
1 1 1   -7   16   40 o  144.342   5.8710  137.219   10.533  130.115   12.457  155.043   19.731  138.225   6.6501  150.460   9.6773 -12.23538 11.74198 
1 1 1   -7   16   41 o  192.687   5.7898  256.259   13.597  259.806   16.105  247.458   25.369  195.380   6.0828  189.994   9.8533 5.385040 11.57966 
1 1 1   -7   16   42 o  113.632   6.8245   93.501   9.4469  101.380   11.426   76.477   16.795  121.950   6.9138  105.315   11.768 16.63470 13.64890 
1 1 1   -7   16   43 o   70.460   9.1123   37.463   7.7715   41.843   9.5056   28.634   13.496   78.161   8.9745   62.759   15.862 15.40156 18.22470 
1 1 1   -7   16   44 o   35.864   9.8313   5.9027   6.7364   5.9061   8.7516   5.8978   10.553   34.789   13.304   36.939   14.478 -2.149342 19.66265 
1 1 1   -7   16   45 o  117.981   6.8809   95.963   10.881   97.754   14.446   93.614   16.543  119.390   8.9290  116.572   10.472 2.817566 13.76187 
1 1 1   -7   16   46 o   90.937   10.715   61.781   11.838   51.178   20.246   67.288   14.592   83.168   18.447   98.705   10.909 -15.53656 21.43089 
1 1 1   -7   16   47 o   77.689   8.7688   42.023   9.2211   43.104   12.852   40.876   13.238   78.778   12.039   76.600   12.753 2.177818 17.53769 
1 1 1   -7   16   48 o   79.013   8.0569   42.873   8.5808   38.900   11.445   47.973   12.967   74.894   11.277   83.132   11.510 -8.237251 16.11385 
1 1 1   -7   16   49 o  131.526   5.4897  119.107   9.6913  114.697   14.596  122.585   12.960  129.221   8.3354  133.831   7.1462 -4.610550 10.97943 
1 1 1   -7   16   50 o   64.544   8.4511   27.739   7.0599   44.934   11.430   17.133   8.9769   80.503   10.478   48.585   13.263 31.91847 16.90223 
1 1 1   -7   16   51 o   85.984   6.8263   52.922   7.6589   42.130   11.712   60.984   10.124   77.769   11.113   94.199   7.9306 -16.43073 13.65269 
1 1 1   -7   16   52 f   46.542   10.807   14.857   7.8025   13.152   10.224   17.235   12.073   43.831   14.651   49.254   15.892 -5.422119 21.61477 
1 1 1   -7   16   53 o   83.995   6.6511   48.372   7.5099   53.156   11.540   44.858   9.8908   87.490   9.7336   80.501   9.0666 6.988388 13.30215 
1 1 1   -7   16   54 o   87.383   6.5654   54.406   7.5440   45.100   11.483   61.472   10.006   80.330   10.549   94.435   7.8191 -14.10530 13.13076 
1 1 1   -7   16   55 o   93.397   6.1342   60.575   7.6751   59.662   11.718   61.261   10.157   92.613   9.3371   94.180   7.9582 -1.567383 12.26846 
1 1 1   -7   16   56 o   58.493   8.7736   24.607   6.6763   29.383   10.410   21.271   8.7014   63.248   12.588   53.739   12.224 9.509552 17.54722 
1 1 1   -7   16   57 o   80.812   6.8139   44.662   7.3764   54.176   11.468   37.950   9.6336   87.989   9.6181   73.634   9.6544 14.35519 13.62774 
1 1 1   -7   16   58 o   51.359   9.3197   18.819   6.5308   26.224   10.306   13.851   8.4420   59.251   13.177   43.466   13.184 15.78451 18.63949 
1 1 1   -7   16   59 o   89.880   6.3992   57.002   7.6665   53.884   11.758   59.307   10.111   87.430   9.9244   92.329   8.0812 -4.899750 12.79846 
1 1 1   -7   16   60 o   62.649   8.7938   28.040   7.9926   6.3425   10.650   56.017   12.094   36.326   14.447   88.972   10.030 -52.64697 17.58767 
1 1 1   -7   16   61 o   53.877   12.108   21.755   8.6246   0.0000   0.0000   21.755   8.6246  ?   ?    53.877   12.108      ?      ? 
1 1 1   -7   16   62 o   64.487   10.718   30.690   9.0393   42.036   14.924   24.116   11.360   73.357   15.498   55.616   14.809 17.74097 21.43621 
1 1 1   -7   16   63 o   91.625   8.4399   59.539   10.325   73.070   16.357   50.575   13.313   99.953   12.076   83.297   11.794 16.65533 16.87983 
1 1 1   -7   16   64 o   30.784   9.4556   0.2607   6.4657   4.1556   12.759  -1.0853   7.5001   36.156   15.241   25.413   11.196 10.74333 18.91128 
1 1 1   -7   16   65 o   56.824   10.057   19.588   7.4098   43.648   14.563   11.184   8.6072   74.394   14.964   39.254   13.441 35.13931 20.11420 
1 1 1   -7   16   66 o   38.003   11.016   7.0075   9.0504   5.4397   13.631   8.2437   12.103   37.577   15.792   38.429   15.363 -0.8523560 22.03192 
1 1 1   -7   16   67 o   56.231   11.714   26.523   9.9271   18.150   14.552   33.812   13.576   48.076   17.388   64.386   15.701 -16.31026 23.42801 
1 1 1   -7   16   68 f   78.175   10.226   48.183   10.561   52.830   14.809   43.375   15.065   83.392   13.105   72.959   15.702 10.43247 20.45210 
1 1 1   -7   16   69 o   50.372   11.720   20.957   9.4517   16.028   13.562   25.612   13.179   45.528   16.737   55.216   16.411 -9.688232 23.44052 
1 1 1   -7   16   70 o   75.468   15.427   46.574   15.244   0.0000   0.0000   46.574   15.244  ?   ?    75.468   15.427      ?      ? 
1 1 1   -7   16   71 o   58.344   11.253   26.997   10.297   10.332   13.824   47.767   15.432   40.509   16.339   76.179   15.477 -35.66908 22.50576 
1 1 1   -7   16   72 o   45.680   11.487   15.800   9.1990   8.9961   12.290   24.469   13.872   38.319   15.423   53.042   17.026 -14.72311 22.97342 
1 1 1   -7   16   73 f   39.678   11.144   10.654   8.9424   10.716   12.294   10.584   13.031   39.538   15.586   39.819   15.933 -0.2804604 22.28866 
1 1 1   -7   16   74 o   46.156   11.650   18.067   9.1984   17.435   12.724   18.757   13.313   45.518   16.284   46.793   16.665 -1.274757 23.30015 
1 1 1   -7   16   75 o   36.307   10.738   6.8876   8.7744   4.8560   11.615   9.5886   13.392   33.953   14.438   38.661   15.898 -4.708675 21.47562 
1 1 1   -7   16   76 o   46.926   11.303   19.023   9.3902   28.453   12.944   8.5467   13.643   56.150   16.147   37.702   15.819 18.44854 22.60518 
1 1 1   -7   16   77 o   49.947   11.329   20.947   9.4744   9.1218   12.581   36.437   14.400   37.161   15.359   62.734   16.658 -25.57323 22.65804 
1 1 1   -7   16   78 o   34.480   10.279   4.8996   8.8702   13.533   11.982  -5.5690   13.194   40.157   15.513   28.802   13.488 11.35553 20.55711 
1 1 1   -7   16   79 o   48.838   11.406   21.054   9.7151   8.1874   12.985   37.414   14.642   35.839   15.254   61.837   16.963 -25.99796 22.81233 
1 1 1   -7   16   80 o   30.648   13.684   2.2400   11.587   2.2400   11.587   0.0000   0.0000   30.648   13.684  ?   ?       ?      ? 
1 1 1   -7   16   81 o   29.102   13.339  -0.3017   11.902  -0.3017   11.902   0.0000   0.0000   29.102   13.339  ?   ?       ?      ? 
1 1 1   -7   17    1 o  141.779   5.2534  136.450   10.053  133.226   13.551  140.396   14.991  139.944   7.1456  143.614   7.7028 -3.670242 10.50682 
1 1 1   -7   17    2 o   81.367   6.8797   44.542   7.5288   39.804   9.9396   50.919   11.531   76.372   9.6040   86.362   9.8532 -9.990456 13.75944 
1 1 1   -7   17    3 o   41.893   9.3553   11.618   6.4570   17.525   8.4729   3.4335   9.9725   49.605   12.585   34.182   13.846 15.42284 18.71054 
1 1 1   -7   17    4 o   43.993   10.145   13.678   7.3445   18.586   8.3163  -3.7153   15.657   51.070   12.186   36.915   16.222 14.15504 20.28972 
1 1 1   -7   17    5 o   84.066   9.2014   48.388   8.7427   47.539   10.034   51.065   17.818   83.507   8.8665   84.625   16.126 -1.118103 18.40285 
1 1 1   -7   17    6 o  147.423   7.0256  158.227   12.209  170.445   14.453  127.786   22.813  158.324   6.7363  136.521   12.331 21.80276 14.05111 
1 1 1   -7   17    7 o   62.324   8.5426   27.335   6.9682   28.471   9.1716   25.785   10.717   64.545   10.486   60.103   13.489 4.442616 17.08527 
1 1 1   -7   17    8 o   81.370   6.9445   45.157   7.5575   44.925   9.9089   45.479   11.685   81.169   9.0085   81.570   10.571 -0.4017258 13.88906 
1 1 1   -7   17    9 o  130.069   5.5022  113.693   9.6354  100.737   12.808  130.585   14.625  121.643   7.7698  138.495   7.7926 -16.85167 11.00432 
1 1 1   -7   17   10 f   92.270   6.4335   57.773   8.0026   55.379   10.697   60.815   12.060   90.133   8.7581   94.407   9.4264 -4.274803 12.86706 
1 1 1   -7   17   11 o  145.098   5.2764  143.104   10.345  141.003   14.058  145.586   15.278  143.960   7.2059  146.237   7.7094 -2.277206 10.55270 
1 1 1   -7   17   12 o   45.347   9.1811   3.4642   7.3272  -9.6569   8.8214   32.659   13.158   23.127   10.893   67.567   14.782 -44.43958 18.36211 
1 1 1   -7   17   13 o   51.631   9.7957   13.791   6.6303   7.6038   7.6382   32.703   13.354   35.678   12.632   67.583   14.975 -31.90582 19.59142 
1 1 1   -7   17   14 o   55.771   9.8437   18.893   6.8829   14.121   8.0437   31.939   13.300   44.779   12.681   66.762   15.060 -21.98343 19.68743 
1 1 1   -7   17   15 o  158.510   6.0689  181.956   11.221  194.084   13.169  149.808   21.440  169.018   5.7494  148.003   10.690 21.01433 12.13780 
1 1 1   -7   17   16 o  145.267   6.3375  147.789   11.630  155.469   14.304  132.809   19.978  151.173   6.9823  139.362   10.578 11.81133 12.67503 
1 1 1   -7   17   17 o  172.495   5.8701  210.771   12.083  220.693   14.262  185.543   22.741  180.220   5.8397  164.770   10.185 15.44946 11.74025 
1 1 1   -7   17   18 o  196.306   5.7140  266.406   13.411  270.938   15.714  254.252   25.733  199.684   5.8072  192.928   9.8425 6.756500 11.42797 
1 1 1   -7   17   19 o  124.896   6.4235  108.429   9.5890  110.792   11.249  102.149   18.339  127.644   6.5034  122.149   11.079 5.494873 12.84691 
1 1 1   -7   17   20 o  230.985   5.6199  353.819   15.400  343.955   17.771  383.573   30.864  224.979   5.8288  236.991   9.6102 -12.01237 11.23972 
1 1 1   -7   17   21 o  140.592   6.0845  137.123   10.177  139.789   11.901  129.866   19.634  143.402   6.1240  137.782   10.516 5.619461 12.16900 
1 1 1   -7   17   22 o   90.014   7.8210   54.751   9.3696   51.793   12.024   59.324   14.950   87.032   10.195   92.995   11.863 -5.963600 15.64209 
1 1 1   -7   17   23 o  188.192   6.1070  239.894   14.995  235.486   18.740  247.742   25.003  185.966   7.4361  190.417   9.6896 -4.451126 12.21408 
1 1 1   -7   17   24 o  126.580   6.0885  108.384   9.3126  107.294   10.905  111.322   17.900  125.604   6.4066  127.557   10.355 -1.953552 12.17697 
1 1 1   -7   17   25 o   96.182   6.8447   62.717   8.0017   62.081   9.4042   64.385   15.230   95.487   7.2677   96.877   11.601 -1.390457 13.68938 
1 1 1   -7   17   26 o   66.310   8.9596   30.767   7.0852   30.696   8.3372   30.951   13.443   67.041   9.1770   65.580   15.391 1.461403 17.91930 
1 1 1   -7   17   27 o  135.402   6.1202  130.036   9.8738  136.067   11.644  114.601   18.627  141.458   6.0744  129.347   10.627 12.11070 12.24043 
1 1 1   -7   17   28 o   63.542   9.3539   29.078   7.2698   30.158   8.6551   26.490   13.396   66.411   9.6171   60.673   16.047 5.738506 18.70782 
1 1 1   -7   17   29 o   67.604   9.3409   35.525   7.4018   39.783   8.7482   24.794   13.886   76.348   8.4555   58.861   16.659 17.48698 18.68182 
1 1 1   -7   17   30 o   97.416   7.3982   64.670   9.7665   64.670   9.7665   0.0000   0.0000   97.416   7.3982  ?   ?       ?      ? 
1 1 1   -7   17   31 o  149.268   6.1956  151.597   12.532  151.597   12.532   0.0000   0.0000  149.268   6.1956  ?   ?       ?      ? 
1 1 1   -7   17   32 o   65.370   9.3106   29.196   7.4490   27.897   8.8344   32.389   13.855   63.794   10.219   66.947   15.567 -3.153084 18.62122 
1 1 1   -7   17   33 o   79.870   8.3654   45.378   7.8828   46.495   9.3646   42.663   14.602   82.501   8.3761   77.238   14.483 5.263557 16.73078 
1 1 1   -7   17   34 o  162.223   5.8518  180.452   11.488  181.280   13.515  178.293   21.811  163.200   6.1109  161.245   9.9816 1.954498 11.70368 
1 1 1   -7   17   35 f  183.691   6.3870  236.771   15.340  257.647   19.834  205.701   24.197  194.305   7.5327  173.077   10.317 21.22809 12.77405 
1 1 1   -7   17   36 f   61.921   9.0449   22.270   7.3250   11.789   8.7676   46.495   13.329   41.782   13.549   82.061   11.986 -40.27841 18.08983 
1 1 1   -7   17   37 o  109.675   7.0187   80.262   10.220   71.629   12.968   94.411   16.602  102.197   9.3640  117.154   10.458 -14.95718 14.03735 
1 1 1   -7   17   38 o   59.080   10.475   26.074   8.4969   31.556   11.219   18.699   13.013   66.364   12.939   51.796   16.476 14.56746 20.94987 
1 1 1   -7   17   39 o   92.609   7.7644   59.650   9.5582   61.798   12.504   56.631   14.825   94.811   9.7321   90.406   12.101 4.405289 15.52884 
1 1 1   -7   17   40 o  125.959   6.8289  110.703   11.354  117.109   14.756  101.407   17.776  130.731   8.3294  121.186   10.824 9.545113 13.65787 
1 1 1   -7   17   41 f  167.236   5.7576  186.528   11.904  179.498   14.066  204.279   22.350  162.191   6.3995  172.280   9.5731 -10.08876 11.51514 
1 1 1   -7   17   42 o  118.053   7.0436   96.907   11.051  100.497   14.454   91.858   17.144  120.932   8.8199  115.174   10.984 5.757698 14.08714 
1 1 1   -7   17   43 o   42.449   10.961   10.745   8.2059   11.491   11.207   9.8835   12.048   42.896   15.289   42.001   15.711 0.8957596 21.92258 
1 1 1   -7   17   44 o  107.389   7.1690   85.287   9.3656   94.700   11.425   66.008   16.351  117.603   7.1692   97.175   12.417 20.42820 14.33805 
1 1 1   -7   17   45 o  102.010   7.0054   73.551   9.0051   76.507   11.024   67.624   15.610  105.579   7.7053   98.441   11.702 7.137650 14.01081 
1 1 1   -7   17   46 o   66.555   9.3061   35.567   7.7213   43.729   9.6275   20.851   12.927   79.602   8.9249   53.507   16.333 26.09517 18.61214 
1 1 1   -7   17   47 o  120.053   6.3882  101.277   9.6382  104.289   11.736   95.037   16.893  123.312   7.0231  116.795   10.673 6.517242 12.77649 
1 1 1   -7   17   48 o   61.767   11.636   27.563   9.3822   27.563   9.3822   0.0000   0.0000   61.767   11.636  ?   ?       ?      ? 
1 1 1   -7   17   49 o   98.958   8.0042   67.555   10.734   67.555   10.734   0.0000   0.0000   98.958   8.0042  ?   ?       ?      ? 
1 1 1   -7   17   50 o  102.030   6.7062   72.609   8.6991   72.921   10.632   71.977   15.132  102.839   7.6288  101.221   11.032 1.618347 13.41248 
1 1 1   -7   17   51 o   97.144   7.1197   68.750   8.6548   74.269   10.676   58.172   14.781  103.732   7.5951   90.556   12.045 13.17545 14.23942 
1 1 1   -7   17   52 f  113.246   6.4417   85.919   9.2366   80.106   11.067   99.263   16.769  107.665   7.5851  118.826   10.414 -11.16161 12.88346 
1 1 1   -7   17   53 o   72.898   8.2756   35.361   7.7006   27.594   9.4486   50.725   13.289   61.356   11.792   84.440   11.614 -23.08378 16.55113 
1 1 1   -7   17   54 o   45.334   10.441   14.979   7.5361   18.551   10.120   10.534   11.291   49.638   14.279   41.030   15.237 8.608826 20.88166 
1 1 1   -7   17   55 o   84.136   6.8628   50.665   7.6695   44.589   11.584   55.407   10.233   79.190   10.795   89.082   8.4771 -9.892448 13.72566 
1 1 1   -7   17   56 o   40.834   10.558   10.353   8.3120  -1.4898   13.992   16.811   10.333   34.428   15.224   47.240   14.633 -12.81135 21.11618 
1 1 1   -7   17   57 o   52.843   9.0941   21.164   6.3760   20.987   9.9918   21.286   8.2812   52.317   13.869   53.369   11.767 -1.051945 18.18818 
1 1 1   -7   17   58 f   39.815   10.172   9.9498   7.8168  -1.5850   12.795   16.818   9.8734   32.712   14.507   46.919   14.263 -14.20782 20.34423 
1 1 1   -7   17   59 o   46.061   11.354   15.575   8.5420   17.192   13.710   14.549   10.921   47.836   16.925   44.286   15.140 3.550640 22.70864 
1 1 1   -7   17   60 o   47.174   9.9893   9.8425   8.4006   35.656   13.803  -5.3445   10.587   66.913   15.523   27.436   12.577 39.47658 19.97855 
1 1 1   -7   17   61 o   32.797   8.6451   4.3114   6.5578 -21.5273   13.198   12.781   7.5565   24.488   11.973   41.106   12.474 -16.61865 17.29025 
1 1 1   -7   17   62 o   47.043   10.470   10.631   7.0972   33.611   14.777   3.7399   8.0916   63.655   16.862   30.431   12.417 33.22411 20.94069 
1 1 1   -7   17   63 o   93.487   10.028   69.615   11.799   49.556   17.118   87.771   16.286   77.507   16.784  109.467   10.978 -31.96009 20.05544 
1 1 1   -7   17   64 o   30.716   9.8322  -3.2960   8.7686  -2.0252   12.853  -4.4022   11.993   31.884   14.312   29.549   13.486 2.334553 19.66448 
1 1 1   -7   17   65 o   49.267   10.630   15.781   9.5214  -2.3283   13.014   36.641   13.967   31.803   14.327   66.730   15.707 -34.92776 21.25950 
1 1 1   -7   17   66 o   33.147   14.456   1.5529   12.225   0.0000   0.0000   1.5529   12.225  ?   ?    33.147   14.456      ?      ? 
1 1 1   -7   17   67 o   40.878   16.100   11.228   13.108   0.0000   0.0000   11.228   13.108  ?   ?    40.878   16.100      ?      ? 
1 1 1   -7   17   68 o   35.586   10.569   5.3345   8.6603   7.4378   12.280   3.2531   12.216   37.139   15.242   34.033   14.647 3.106052 21.13885 
1 1 1   -7   17   69 o   52.740   11.001   22.231   9.4607   8.2560   12.975   38.095   13.824   38.078   15.652   67.402   15.463 -29.32481 22.00244 
1 1 1   -7   17   70 o   75.844   10.629   47.777   10.535   46.471   14.670   49.167   15.140   74.779   14.999   76.909   15.066 -2.130486 21.25862 
1 1 1   -7   17   71 o   39.135   11.056   10.220   8.9953   14.148   12.661   6.2167   12.783   42.276   16.042   35.994   15.218 6.282379 22.11183 
1 1 1   -7   17   72 o   35.607   10.590   6.1493   8.8135   10.118   12.341   2.0189   12.591   38.383   15.454   32.831   14.483 5.552414 21.17952 
1 1 1   -7   17   73 o   48.720   10.548   16.694   9.5081  -2.2168   12.821   39.807   14.174   30.441   13.912   67.000   15.858 -36.55843 21.09553 
1 1 1   -7   17   74 o   43.127   10.063   7.5727   9.2285 -14.9281   12.453   34.986   13.745   24.537   11.915   61.716   16.221 -37.17887 20.12690 
1 1 1   -7   17   75 o   33.459   10.063   1.2806   8.6124  -9.7725   11.484   15.486   13.019   25.068   11.984   41.851   16.170 -16.78300 20.12693 
1 1 1   -7   17   76 o   29.091   9.4407  -2.7383   8.4665  -7.7498   11.326   3.6096   12.747   25.511   12.113   32.671   14.484 -7.160336 18.88147 
1 1 1   -7   17   77 o   39.290   11.121   13.805   8.9839   14.382   12.268   13.138   13.192   39.746   15.601   38.833   15.852 0.9129868 22.24117 
1 1 1   -7   17   78 o   46.161   16.559   22.503   13.167   22.503   13.167   0.0000   0.0000   46.161   16.559  ?   ?       ?      ? 
1 1 1   -7   18    1 o  139.493   5.4259  133.351   10.145  138.453   13.545  126.832   15.311  142.615   7.0085  136.372   8.2850 6.242188 10.85175 
1 1 1   -7   18    2 o   55.941   9.3303   21.382   6.8698   17.039   8.7550   28.340   11.082   48.898   12.992   62.985   13.396 -14.08735 18.66068 
1 1 1   -7   18    3 o   89.571   6.5638   53.710   7.8822   47.288   10.279   62.879   12.281   83.214   9.1152   95.928   9.4470 -12.71468 13.12757 
1 1 1   -7   18    4 o   85.623   6.9965   50.787   7.9539   53.961   10.464   46.443   12.241   88.924   8.6835   82.323   10.973 6.600853 13.99293 
1 1 1   -7   18    5 o   56.179   10.443   22.812   7.6566   23.702   9.1551   20.743   13.966   57.696   12.096   54.662   17.026 3.033894 20.88533 
1 1 1   -7   18    6 o  127.729   6.5268  103.049   10.628   88.626   12.692  136.905   19.445  114.003   8.2155  141.456   10.144 -27.45281 13.05368 
1 1 1   -7   18    7 o   93.957   7.5731   59.460   9.0331   57.659   10.923   63.357   16.065   91.912   8.7701   96.003   12.349 -4.091621 15.14610 
1 1 1   -7   18    8 o  106.208   7.0412   71.929   9.5401   62.865   11.414   92.943   17.379   95.969   8.7762  116.446   11.013 -20.47681 14.08234 
1 1 1   -7   18    9 o  190.119   6.2514  253.072   14.972  265.188   18.347  228.923   25.902  197.387   6.8591  182.851   10.453 14.53644 12.50287 
1 1 1   -7   18   10 f  214.878   6.0603  298.192   16.423  272.038   19.529  361.367   30.351  199.871   7.2102  229.886   9.7428 -30.01530 12.12059 
1 1 1   -7   18   11 o  183.929   6.1006  222.372   14.212  208.248   17.034  254.735   25.784  174.873   7.1879  192.984   9.8591 -18.11081 12.20114 
1 1 1   -7   18   12 o  164.673   6.4935  195.012   13.403  215.824   16.668  156.929   22.547  178.057   6.9079  151.290   10.997 26.76640 12.98699 
1 1 1   -7   18   13 o  117.293   6.9400   91.161   10.430   85.546   12.647  103.102   18.441  111.978   8.3345  122.608   11.099 -10.63059 13.88006 
1 1 1   -7   18   14 o  168.320   6.1686  188.795   13.229  180.382   16.001  206.964   23.514  162.734   7.2561  173.906   9.9778 -11.17262 12.33719 
1 1 1   -7   18   15 o  157.622   6.3056  167.924   12.648  164.626   15.364  174.857   22.278  155.455   7.2933  159.789   10.288 -4.334030 12.61116 
1 1 1   -7   18   16 o  109.916   8.5470   82.082   12.653   94.093   19.147   72.769   16.860  116.969   12.079  102.862   12.095 14.10682 17.09405 
1 1 1   -7   18   17 o   44.639   10.935   7.9381   9.9506 -12.9430   15.137   23.829   13.205   31.582   14.676   57.697   16.215 -26.11505 21.87044 
1 1 1   -7   18   18 o  110.248   7.1721   84.414   10.221   87.374   12.804   79.218   16.967  113.140   8.3514  107.356   11.662 5.783737 14.34420 
1 1 1   -7   18   19 o   91.492   7.7009   56.346   9.1118   53.916   11.203   61.095   15.660   88.790   9.3111   94.195   12.268 -5.405624 15.40171 
1 1 1   -7   18   20 o  124.341   6.8238  105.457   10.926  104.640   13.475  107.026   18.670  123.834   8.0300  124.848   11.035 -1.014008 13.64755 
1 1 1   -7   18   21 o  240.174   6.1025  380.193   18.678  355.460   22.511  434.855   33.465  228.367   7.2741  251.981   9.8004 -23.61380 12.20490 
1 1 1   -7   18   22 o  216.046   6.1543  320.938   17.010  324.994   20.938  313.066   29.169  218.382   7.0753  213.711   10.072 4.670837 12.30863 
1 1 1   -7   18   23 o  155.529   6.3567  167.451   12.703  172.036   15.772  158.983   21.431  158.842   7.3272  152.215   10.390 6.626968 12.71341 
1 1 1   -7   18   24 o  116.959   6.9994   94.877   10.512   97.367   13.040   90.255   17.763  119.408   8.0588  114.511   11.447 4.896973 13.99890 
1 1 1   -7   18   25 o  134.450   7.5997  123.363   13.847  123.363   13.847   0.0000   0.0000  134.450   7.5997  ?   ?       ?      ? 
1 1 1   -7   18   26 o   87.374   9.2488   52.294   10.951   52.294   10.951   0.0000   0.0000   87.374   9.2488  ?   ?       ?      ? 
1 1 1   -7   18   27 o   43.367   9.6051   12.242   7.3443   21.134   9.3618  -1.9865   11.843   54.193   12.928   32.540   14.209 21.65357 19.21028 
1 1 1   -7   18   28 o   41.117   10.365   10.311   7.3705   13.107   9.3520   5.7281   11.975   43.763   13.973   38.471   15.313 5.291916 20.72977 
1 1 1   -7   18   29 o   79.991   8.3275   46.683   7.7563   49.151   9.2231   40.721   14.335   84.781   8.0277   75.201   14.593 9.580521 16.65508 
1 1 1   -7   18   30 o   65.687   9.5305   35.582   7.6260   42.809   9.1272   18.870   13.879   79.061   8.5191   52.314   17.051 26.74714 19.06110 
1 1 1   -7   18   31 o  200.318   5.8624  281.022   14.020  288.479   16.462  261.336   26.749  205.785   5.9032  194.851   10.130 10.93362 11.72478 
1 1 1   -7   18   32 o  108.602   7.0016   84.092   9.1816   88.063   10.921   74.521   16.957  113.543   7.0978  103.661   12.071 9.882263 14.00327 
1 1 1   -7   18   33 o  120.390   6.5893  100.380   9.6220  101.336   11.355   97.944   18.123  121.810   6.8787  118.969   11.241 2.840233 13.17863 
1 1 1   -7   18   34 o  179.879   5.7912  213.267   12.587  203.572   14.625  240.959   24.717  172.740   6.2479  187.018   9.7528 -14.27847 11.58248 
1 1 1   -7   18   35 o  143.564   6.0467  134.798   10.647  126.429   12.451  157.574   20.540  136.027   6.7545  151.101   10.031 -15.07433 12.09344 
1 1 1   -7   18   36 o  145.435   6.0475  139.090   10.747  131.473   12.553  159.992   20.794  138.699   6.6787  152.172   10.084 -13.47289 12.09495 
1 1 1   -7   18   37 o  137.077   6.4111  131.730   10.698  134.861   12.704  124.095   19.837  140.445   6.6748  133.709   10.948 6.735245 12.82213 
1 1 1   -7   18   38 o  175.494   6.4580  214.232   14.883  220.317   19.014  204.605   23.916  179.147   7.8321  171.840   10.270 7.306793 12.91597 
1 1 1   -7   18   39 f   93.951   8.2183   62.581   10.181   66.514   13.242   56.896   15.920   97.984   9.9728   89.918   13.065 8.065735 16.43662 
1 1 1   -7   18   40 o   67.227   9.5527   31.433   7.8811   28.881   9.4378   37.313   14.325   63.430   11.399   71.025   15.332 -7.594688 19.10542 
1 1 1   -7   18   41 o  138.644   6.1920  133.716   10.544  135.095   12.551  130.410   19.439  140.436   6.5952  136.853   10.482 3.582916 12.38407 
1 1 1   -7   18   42 f   89.142   7.7221   58.034   8.4672   62.294   10.288   49.092   14.906   95.080   7.9849   83.204   13.220 11.87601 15.44420 
1 1 1   -7   18   43 o   52.004   10.153   19.566   7.0939   18.733   8.6836   21.236   12.300   50.488   12.703   53.519   15.842 -3.031048 20.30592 
1 1 1   -7   18   44 o   71.873   9.5459   45.709   8.0412   57.174   9.6805   20.189   14.442   91.024   7.8480   52.722   17.404 38.30178 19.09180 
1 1 1   -7   18   45 o   83.128   8.6001   47.922   9.6880   47.922   9.6880   0.0000   0.0000   83.128   8.6001  ?   ?       ?      ? 
1 1 1   -7   18   46 o   40.241   10.273   8.4088   6.7162   5.1896   7.9569   16.385   12.525   32.510   12.619   47.971   16.215 -15.46114 20.54639 
1 1 1   -7   18   47 o   95.373   6.9125   63.797   8.2970   63.913   10.047   63.548   14.714   96.104   7.7142   94.642   11.473 1.462807 13.82506 
1 1 1   -7   18   48 o   79.667   8.2182   47.414   7.8648   50.490   9.5967   41.123   13.725   85.212   8.3107   74.122   14.181 11.09032 16.43639 
1 1 1   -7   18   49 o   82.528   9.3322   53.629   9.4197   73.917   12.865   30.181   13.830  102.691   9.2447   62.365   16.214 40.32601 18.66433 
1 1 1   -7   18   50 o   85.294   7.1978   46.665   7.8732   37.203   9.4485   68.161   14.241   72.679   9.5933   97.909   10.733 -25.22976 14.39570 
1 1 1   -7   18   51 o   26.230   8.6864  -8.7798   7.5235  -8.9298   12.071  -8.6845   9.6205   28.037   13.054   24.423   11.463 3.613516 17.37272 
1 1 1   -7   18   52 f   33.431   9.3475   5.4195   6.3057   7.5277   8.0322   2.0333   10.180   34.848   12.869   32.014   13.561 2.833591 18.69502 
1 1 1   -7   18   53 o   40.751   10.090   10.590   7.0125   5.8573   9.2074   17.127   10.821   34.131   13.477   47.372   15.020 -13.24156 20.18042 
1 1 1   -7   18   54 o   74.470   10.534   45.723   10.326   25.604   15.382   62.226   13.931   56.154   17.919   92.786   11.079 -36.63166 21.06733 
1 1 1   -7   18   55 o   61.527   11.303   30.026   9.4153   33.425   14.584   27.596   12.329   64.152   16.636   58.901   15.306 5.251198 22.60595 
1 1 1   -7   18   56 o   47.404   8.9104   13.795   7.6933   34.455   11.070  -5.5080   10.700   67.344   12.593   27.464   12.610 39.88039 17.82083 
1 1 1   -7   18   57 f   37.560   10.207   8.4867   7.3709   5.8370   10.276   11.295   10.579   34.822   14.073   40.298   14.787 -5.476334 20.41301 
1 1 1   -7   18   58 o   46.785   10.647   17.041   7.6878   14.428   10.476   20.090   11.317   43.525   14.829   50.046   15.283 -6.520542 21.29486 
1 1 1   -7   18   59 o   57.558   11.374   27.905   9.2623   23.429   14.787   30.794   11.882   52.960   17.617   62.155   14.391 -9.195503 22.74737 
1 1 1   -7   18   60 o   77.896   10.749   50.585   11.195   24.263   15.725   77.639   15.943   53.440   18.168  102.352   11.494 -48.91197 21.49862 
1 1 1   -7   18   61 o   46.049   11.285   15.476   9.4105   4.6315   13.377   26.102   13.241   36.380   15.483   55.719   16.422 -19.33972 22.56955 
1 1 1   -7   18   62 o   64.468   16.002   34.726   13.915   0.0000   0.0000   34.726   13.915  ?   ?    64.468   16.002      ?      ? 
1 1 1   -7   18   63 o   54.598   16.588   25.460   13.357   0.0000   0.0000   25.460   13.357  ?   ?    54.598   16.588      ?      ? 
1 1 1   -7   18   64 o   38.383   15.626   8.5940   12.777   0.0000   0.0000   8.5940   12.777  ?   ?    38.383   15.626      ?      ? 
1 1 1   -7   18   65 o   46.736   11.417   17.593   9.0983   24.708   13.138   11.035   12.612   53.395   16.494   40.077   15.790 13.31769 22.83382 
1 1 1   -7   18   66 o   43.553   11.332   14.962   8.9156   19.062   12.752   11.041   12.470   47.314   16.352   39.792   15.693 7.522232 22.66438 
1 1 1   -7   18   67 o   40.880   10.925   11.440   8.8097   3.1558   12.263   20.275   12.664   33.509   14.547   48.251   16.304 -14.74186 21.85091 
1 1 1   -7   18   68 o   44.011   11.129   15.128   9.1054   5.3771   12.833   25.015   12.922   35.238   15.085   52.785   16.367 -17.54662 22.25789 
1 1 1   -7   18   69 o   43.121   11.187   14.919   8.9584   7.6638   12.434   22.750   12.918   36.293   15.156   49.948   16.459 -13.65550 22.37383 
1 1 1   -7   18   70 o   35.784   10.281   5.5000   8.7006   16.784   12.131  -6.4530   12.486   43.667   15.863   27.901   13.084 15.76578 20.56275 
1 1 1   -7   18   71 o   36.297   10.784   8.3486   8.9772   7.6197   12.397   9.1523   13.018   35.582   15.012   37.012   15.486 -1.430153 21.56842 
1 1 1   -7   18   72 o   35.854   10.686   8.0483   8.8725   4.9190   11.996   11.827   13.183   33.097   14.378   38.610   15.813 -5.513542 21.37272 
1 1 1   -7   18   73 o   34.793   10.087   1.5265   8.8650 -14.6065   11.963   21.173   13.202   23.591   11.505   45.996   16.573 -22.40584 20.17462 
1 1 1   -7   18   74 o   27.372   9.0430  -4.4844   8.2928  -8.9067   11.214   0.8532   12.320   24.552   11.766   30.192   13.736 -5.639950 18.08598 
1 1 1   -7   18   75 o   29.831   13.569   1.3495   12.016   1.3495   12.016   0.0000   0.0000   29.831   13.569  ?   ?       ?      ? 
1 1 1   -7   19    1 o  133.156   7.4497  116.984   11.727  112.142   13.474  132.112   23.816  128.142   7.7593  138.169   12.720 -10.02783 14.89945 
1 1 1   -7   19    2 o   71.249   8.6101   37.068   7.7438   41.781   9.9904   29.974   12.256   78.070   9.4432   64.429   14.400 13.64102 17.22024 
1 1 1   -7   19    3 o  108.590   6.1473   79.746   8.9622   74.192   11.751   87.466   13.856  104.169   8.3247  113.011   9.0475 -8.842552 12.29460 
1 1 1   -7   19    4 o  108.683   6.2438   81.780   9.0574   87.519   12.090   74.439   13.673  113.191   7.8822  104.176   9.6855 9.015373 12.48754 
1 1 1   -7   19    5 o   76.557   8.3258   42.935   8.0152   52.867   10.781   30.661   11.985   87.859   9.0550   65.255   13.974 22.60366 16.65154 
1 1 1   -7   19    6 o  149.505   5.5495  154.755   11.087  172.680   15.115  133.878   16.313  159.127   7.0096  139.884   8.6055 19.24268 11.09908 
1 1 1   -7   19    7 o  181.631   5.3020  226.234   12.978  238.085   17.758  212.646   19.014  186.844   7.0134  176.417   7.9535 10.42705 10.60405 
1 1 1   -7   19    8 o  169.151   5.3081  195.564   12.103  197.796   16.353  192.859   17.997  170.288   7.0866  168.014   7.9046 2.274872 10.61613 
1 1 1   -7   19    9 o  108.508   6.4297   80.774   9.4237   82.182   12.886   79.155   13.817  109.579   8.6778  107.437   9.4900 2.142349 12.85941 
1 1 1   -7   19   10 f   75.007   10.602   47.421   10.146   18.815   16.957   63.373   12.663   53.917   18.844   96.098   9.7238 -42.18109 21.20481 
1 1 1   -7   19   11 o   61.486   11.542   28.016   9.5675   23.951   16.309   30.150   11.814   58.288   18.435   64.684   13.892 -6.396553 23.08327 
1 1 1   -7   19   12 o  189.279   6.3652  246.645   15.405  249.101   18.943  241.848   26.472  191.033   7.3175  187.524   10.417 3.508575 12.73039 
1 1 1   -7   19   13 o  103.780   7.0133   70.577   8.5505   67.371   9.7838   80.946   17.593   99.347   7.2672  108.213   11.997 -8.865784 14.02659 
1 1 1   -7   19   14 o   88.698   7.6024   52.203   7.9030   50.331   9.0518   58.206   16.209   85.817   7.7835   91.578   13.061 -5.760757 15.20473 
1 1 1   -7   19   15 o  123.418   6.5379  103.536   9.3369  102.666   10.694  106.327   19.149  122.727   6.4303  124.109   11.385 -1.382118 13.07579 
1 1 1   -7   19   16 o  101.608   7.1509   71.673   8.3755   72.299   9.6199   69.714   17.026  102.937   6.8963  100.280   12.529 2.657288 14.30181 
1 1 1   -7   19   17 o   92.759   7.5282   60.217   8.1561   61.169   9.4448   57.424   16.174   94.629   7.3652   90.889   13.132 3.740402 15.05632 
1 1 1   -7   19   18 o  102.838   7.1883   75.314   8.5820   77.927   9.9610   67.788   16.906  106.855   6.8790   98.821   12.624 8.034485 14.37659 
1 1 1   -7   19   19 o   46.124   10.694   13.857   6.8537   13.641   7.7841   14.605   14.457   43.780   12.501   48.469   17.355 -4.688358 21.38885 
1 1 1   -7   19   20 o   55.709   11.116   22.168   8.0976   22.168   8.0976   0.0000   0.0000   55.709   11.116  ?   ?       ?      ? 
1 1 1   -7   19   21 o  109.191   6.8310   81.407   10.108   81.407   10.108   0.0000   0.0000  109.191   6.8310  ?   ?       ?      ? 
1 1 1   -7   19   22 o  111.043   6.8796   87.038   8.9677   89.372   10.441   80.477   17.507  114.409   6.7347  107.676   11.998 6.733124 13.75913 
1 1 1   -7   19   23 o   87.324   7.1935   43.759   7.6901   32.973   8.8550   76.858   15.511   69.223   9.4396  105.425   10.857 -36.20260 14.38703 
1 1 1   -7   19   24 o   71.278   9.0601   37.384   7.4007   38.834   8.6253   33.340   14.409   75.223   8.4614   67.333   16.023 7.889854 18.12021 
1 1 1   -7   19   25 o   71.462   9.2635   41.355   7.5928   47.712   9.0273   25.982   14.038   83.422   7.9853   59.503   16.718 23.91955 18.52697 
1 1 1   -7   19   26 o   48.790   10.080   18.126   7.1775   21.801   8.5526   9.3745   13.199   54.991   11.828   42.588   16.326 12.40364 20.16056 
1 1 1   -7   19   27 o   41.990   9.4437   12.274   6.9733   19.155   8.3727  -3.3077   12.599   51.421   12.199   32.559   14.419 18.86173 18.88741 
1 1 1   -7   19   28 o   59.390   9.8425   26.894   7.5326   29.877   9.0347   20.093   13.642   65.710   10.146   53.069   16.869 12.64083 19.68498 
1 1 1   -7   19   29 o  105.590   6.8006   75.125   8.9610   72.264   10.666   81.993   16.524  102.629   7.6689  108.550   11.233 -5.921196 13.60125 
1 1 1   -7   19   30 o   81.441   8.0327   46.153   8.1070   46.045   9.6846   46.408   14.820   81.744   8.7427   81.138   13.478 0.6055069 16.06537 
1 1 1   -7   19   31 o   89.958   7.3067   54.658   8.1462   52.501   9.6447   60.025   15.217   87.357   8.1472   92.559   12.132 -5.201622 14.61347 
1 1 1   -7   19   32 o   74.242   8.0755   35.457   7.4788   31.220   8.7798   46.661   14.277   67.129   9.6514   81.355   12.950 -14.22590 16.15107 
1 1 1   -7   19   33 o   58.585   10.822   25.128   8.5828   23.089   11.164   28.074   13.421   55.871   14.588   61.299   15.989 -5.428082 21.64400 
1 1 1   -7   19   34 o   64.250   9.8447   32.322   8.8525   47.740   11.918   13.349   13.221   82.716   10.633   45.783   16.572 36.93295 19.68943 
1 1 1   -7   19   35 o  100.870   6.7509   66.419   8.5652   59.975   10.153   82.330   15.953   93.256   8.0337  108.483   10.852 -15.22653 13.50184 
1 1 1   -7   19   36 o  111.998   6.7866   89.621   9.2314   92.963   10.996   81.643   16.990  116.317   6.9762  107.679   11.643 8.638077 13.57311 
1 1 1   -7   19   37 o  156.266   6.0132  167.786   11.291  166.273   13.193  171.927   21.831  155.731   6.2515  156.801   10.274 -1.070618 12.02639 
1 1 1   -7   19   38 o   82.586   7.3720   44.201   7.6356   38.930   9.0038   57.699   14.408   74.866   8.8749   90.307   11.774 -15.44112 14.74398 
1 1 1   -7   19   39 o   64.944   9.0614   29.492   7.1488   27.835   8.4399   33.699   13.449   63.073   9.8744   66.815   15.196 -3.741871 18.12276 
1 1 1   -7   19   40 o   35.788   9.9436   5.3117   6.5221   3.4729   7.7390   9.8189   12.116   30.371   12.234   41.205   15.679 -10.83380 19.88727 
1 1 1   -7   19   41 o   57.051   11.477   23.853   8.5654   23.853   8.5654   0.0000   0.0000   57.051   11.477  ?   ?       ?      ? 
1 1 1   -7   19   42 o   58.318   9.9073   25.135   7.2136   24.477   8.5642   26.742   13.383   57.792   11.340   58.843   16.248 -1.050247 19.81450 
1 1 1   -7   19   43 o   82.701   7.3827   42.885   7.7156   33.881   9.1149   65.646   14.492   69.388   9.6937   96.014   11.138 -26.62682 14.76548 
1 1 1   -7   19   44 o   90.495   7.0686   53.533   7.9718   47.504   9.3621   69.432   15.203   82.489   8.3752   98.502   11.389 -16.01304 14.13718 
1 1 1   -7   19   45 o   81.371   7.7171   45.381   7.8373   42.530   9.2950   52.393   14.577   77.861   8.8094   84.881   12.673 -7.020294 15.43422 
1 1 1   -7   19   46 o   71.070   10.458   38.830   9.7470   34.380   13.561   43.586   14.020   66.441   15.367   75.699   14.188 -9.257439 20.91532 
1 1 1   -7   19   47 o   55.902   10.575   23.483   8.0358   19.665   10.240   29.601   12.965   50.491   14.311   61.313   15.574 -10.82211 21.15030 
1 1 1   -7   19   48 o   36.892   9.8230   4.7578   7.1171  -2.7043   9.0666   16.738   11.488   26.858   12.041   46.926   15.524 -20.06789 19.64607 
1 1 1   -7   19   49 o   39.743   10.181   10.338   6.9512   8.1321   8.9288   13.732   11.075   36.077   13.519   43.409   15.226 -7.331814 20.36152 
1 1 1   -7   19   50 o   90.787   7.9027   60.814   9.5088   65.788   12.603   54.241   14.488   95.929   9.6950   85.646   12.483 10.28316 15.80546 
1 1 1   -7   19   51 o   67.539   9.3757   33.853   8.3652   26.569   11.000   43.842   12.882   58.154   14.104   76.925   12.357 -18.77174 18.75148 
1 1 1   -7   19   52 o   29.057   9.0378  -2.1129   7.1117  -7.7749   9.9026   3.9176   10.220   25.009   11.703   33.105   13.775 -8.095734 18.07564 
1 1 1   -7   19   53 o   48.933   9.2594   17.378   7.9227   34.459   10.942  -1.4465   11.487   67.146   12.485   30.720   13.678 36.42585 18.51875 
1 1 1   -7   19   54 o   35.534   10.025   6.2064   7.3576   2.6254   9.9696   10.490   10.903   31.628   13.410   39.439   14.906 -7.811098 20.05000 
1 1 1   -7   19   55 o   33.060   9.6587   4.2720   7.1228   6.8674   9.7466   1.2971   10.435   35.004   13.852   31.115   13.464 3.888575 19.31737 
1 1 1   -7   19   56 o   26.363   11.960  -3.2979   9.2572  -3.2979   9.2572   0.0000   0.0000   26.363   11.960  ?   ?       ?      ? 
1 1 1   -7   19   57 o   31.938   14.661  -4.9967   14.454  -4.9967   14.454   0.0000   0.0000   31.938   14.661  ?   ?       ?      ? 
1 1 1   -7   19   58 o   28.540   13.571 -12.5216   14.324 -12.5216   14.324   0.0000   0.0000   28.540   13.571  ?   ?       ?      ? 
1 1 1   -7   19   59 o   55.271   18.146   27.133   15.707   27.133   15.707   0.0000   0.0000   55.271   18.146  ?   ?       ?      ? 
1 1 1   -7   19   60 o   41.480   14.390   13.448   9.8793   13.448   9.8793   0.0000   0.0000   41.480   14.390  ?   ?       ?      ? 
1 1 1   -7   19   61 o   42.864   14.286   14.789   9.7221   14.789   9.7221   0.0000   0.0000   42.864   14.286  ?   ?       ?      ? 
1 1 1   -7   19   62 o   23.677   11.123  -6.9878   9.0960  -6.9878   9.0960   0.0000   0.0000   23.677   11.123  ?   ?       ?      ? 
1 1 1   -7   19   63 o   58.578   13.375   28.074   10.384   28.074   10.384   0.0000   0.0000   58.578   13.375  ?   ?       ?      ? 
1 1 1   -7   19   64 o   49.681   14.094   20.902   9.9273   20.902   9.9273   0.0000   0.0000   49.681   14.094  ?   ?       ?      ? 
1 1 1   -7   19   65 o   35.526   13.735   8.9738   9.3976   8.9738   9.3976   0.0000   0.0000   35.526   13.735  ?   ?       ?      ? 
1 1 1   -7   19   66 o   29.989   13.536  -0.5322   11.680  -0.5322   11.680   0.0000   0.0000   29.989   13.536  ?   ?       ?      ? 
1 1 1   -7   19   67 o   35.258   10.119   4.6293   8.5989   17.727   12.110  -8.6916   12.212   44.101   15.874   26.416   12.553 17.68471 20.23760 
1 1 1   -7   19   68 o   36.891   10.507   8.0261   8.8598   18.889   12.509  -2.9100   12.551   44.658   16.126   29.125   13.474 15.53300 21.01413 
1 1 1   -7   19   69 o   36.011   10.632   9.4043   8.6497   8.6990   12.053   10.153   12.420   35.393   14.861   36.629   15.209 -1.236519 21.26413 
1 1 1   -7   19   70 o   42.063   11.321   17.057   9.1433   11.886   12.872   22.324   12.990   37.566   15.531   46.560   16.475 -8.993641 22.64155 
1 1 1   -7   19   71 o   35.399   14.866   9.9577   12.065   9.9577   12.065   0.0000   0.0000   35.399   14.866  ?   ?       ?      ? 
1 1 1   -7   20    1 o  110.799   9.3271   84.641   14.004   0.0000   0.0000   84.641   14.004  ?   ?   110.799   9.3271      ?      ? 
1 1 1   -7   20    2 o   91.798   10.307   58.317   12.822   0.0000   0.0000   58.317   12.822  ?   ?    91.798   10.307      ?      ? 
1 1 1   -7   20    3 o   64.327   11.104   32.368   9.7041   20.092   16.908   38.398   11.850   54.401   18.827   74.253   11.777 -19.85242 22.20714 
1 1 1   -7   20    4 o   67.406   10.833   35.233   9.6628   23.697   16.144   41.672   12.062   57.410   18.361   77.403   11.499 -19.99348 21.66508 
1 1 1   -7   20    5 o   81.871   7.6145   45.852   8.3864   39.435   11.186   54.086   12.672   75.387   10.950   88.355   10.584 -12.96844 15.22898 
1 1 1   -7   20    6 o  119.212   7.6404   95.816   11.883  108.654   20.179   89.001   14.703  124.855   11.926  113.569   9.5533 11.28566 15.28072 
1 1 1   -7   20    7 o   55.149   13.337   20.877   11.881   20.733   15.567   21.079   18.386   54.398   18.074   55.900   19.617 -1.501205 26.67397 
1 1 1   -7   20    8 o   86.684   7.6619   54.043   8.6529   63.424   11.513   41.866   13.117   95.987   8.8513   77.381   12.509 18.60522 15.32384 
1 1 1   -7   20    9 o  149.298   5.5820  154.476   11.169  167.224   15.151  139.304   16.529  156.280   7.1541  142.316   8.5704 13.96378 11.16393 
1 1 1   -7   20   10 o  122.139   5.9708  103.081   9.8073  107.505   13.262   97.744   14.569  125.171   7.8187  119.106   9.0262 6.065033 11.94170 
1 1 1   -7   20   11 o   67.525   10.075   36.288   8.6263   43.331   10.612   22.566   14.812   79.163   9.8919   55.887   17.555 23.27629 20.14984 
1 1 1   -7   20   12 o   84.287   7.5757   41.945   7.6420   34.806   8.6841   66.450   16.089   71.063   9.0178   97.512   12.176 -26.44915 15.15141 
1 1 1   -7   20   13 o  102.253   7.0019   71.590   9.7024   71.590   9.7024   0.0000   0.0000  102.253   7.0019  ?   ?       ?      ? 
1 1 1   -7   20   14 o   90.375   7.6147   56.040   9.3258   56.040   9.3258   0.0000   0.0000   90.375   7.6147  ?   ?       ?      ? 
1 1 1   -7   20   15 o  117.319   6.6685   94.177   10.602   94.177   10.602   0.0000   0.0000  117.319   6.6685  ?   ?       ?      ? 
1 1 1   -7   20   16 o  157.006   6.1490  165.185   11.266  160.796   12.903  179.263   23.109  153.385   6.2075  160.627   10.616 -7.242203 12.29801 
1 1 1   -7   20   17 o  132.879   6.4442  120.837   10.019  119.773   11.540  124.093   20.191  132.326   6.4354  133.432   11.167 -1.106003 12.88834 
1 1 1   -7   20   18 f   39.399   10.063   9.7194   6.5739   11.295   7.6606   5.3178   12.805   40.180   12.625   38.618   15.673 1.561886 20.12562 
1 1 1   -7   20   19 o   61.197   8.8782   19.386   6.8552   9.7729   7.8665   49.732   13.976   38.225   12.851   84.168   12.254 -45.94231 17.75632 
1 1 1   -7   20   20 o   85.629   7.4129   47.285   7.7136   43.053   8.9274   59.752   15.322   79.040   8.3348   92.218   12.261 -13.17824 14.82576 
1 1 1   -7   20   21 o   58.350   8.9770   17.659   6.8838   8.0738   7.9728   45.736   13.645   36.113   12.893   80.588   12.495 -44.47507 17.95398 
1 1 1   -7   20   22 o   96.318   7.0908   63.229   8.1842   61.807   9.5187   67.263   16.028   94.837   7.4066   97.799   12.094 -2.962563 14.18163 
1 1 1   -7   20   23 o   74.514   7.9998   35.342   7.3338   30.990   8.5184   47.807   14.416   66.846   9.4038   82.183   12.944 -15.33695 15.99962 
1 1 1   -7   20   24 o   42.303   10.128   11.391   6.4415   10.000   7.6641   14.737   11.889   38.291   12.680   46.316   15.797 -8.025448 20.25641 
1 1 1   -7   20   25 o   55.109   9.8047   18.394   6.8298   12.625   7.9510   34.632   13.339   41.992   12.807   68.226   14.849 -26.23356 19.60943 
1 1 1   -7   20   26 o   72.540   8.6330   37.038   7.4284   36.091   8.7399   39.501   14.099   72.145   8.9396   72.935   14.771 -0.7905502 17.26596 
1 1 1   -7   20   27 o   72.376   7.9962   33.010   7.2795   27.221   8.5664   48.055   13.809   62.423   10.127   82.330   12.378 -19.90717 15.99240 
1 1 1   -7   20   28 o   32.095   9.4043  -2.0055   7.2515 -10.6672   9.5397   9.8489   11.160   23.556   11.165   40.634   15.137 -17.07801 18.80861 
1 1 1   -7   20   29 f   44.534   10.973   13.150   7.9683   11.595   10.177   15.613   12.810   41.685   14.597   47.383   16.388 -5.697346 21.94612 
1 1 1   -7   20   30 o   71.194   8.9184   39.758   7.4821   44.455   9.0404   29.545   13.330   80.070   8.3317   62.319   15.771 17.75066 17.83683 
1 1 1   -7   20   31 o   31.377   8.8353   2.8593   6.2830   8.7693   7.4467 -11.7437   11.706   36.284   12.498   26.469   12.492 9.815088 17.67053 
1 1 1   -7   20   32 o   43.316   10.150   12.474   6.4269   11.154   7.5878   15.827   12.090   39.568   12.581   47.063   15.931 -7.494244 20.29940 
1 1 1   -7   20   33 o   66.232   8.6904   31.944   6.9143   31.972   8.2152   31.875   12.803   67.674   8.9580   64.789   14.894 2.884483 17.38073 
1 1 1   -7   20   34 o   52.535   9.6572   20.816   6.5426   21.209   7.7666   19.856   12.142   53.797   11.024   51.274   15.859 2.523289 19.31443 
1 1 1   -7   20   35 o   58.796   9.4192   23.333   6.7768   19.454   7.9595   33.553   12.920   51.226   11.720   66.367   14.749 -15.14111 18.83839 
1 1 1   -7   20   36 o   34.679   13.217   6.7323   8.6187   6.7323   8.6187   0.0000   0.0000   34.679   13.217  ?   ?       ?      ? 
1 1 1   -7   20   37 o   58.353   12.031   25.321   9.1979   25.321   9.1979   0.0000   0.0000   58.353   12.031  ?   ?       ?      ? 
1 1 1   -7   20   38 o   55.114   10.231   21.992   7.4843   18.164   9.2447   29.273   12.750   48.909   13.504   61.319   15.372 -12.40976 20.46140 
1 1 1   -7   20   39 o   83.661   7.7167   48.525   8.4103   44.494   10.374   56.256   14.365   79.255   9.6593   88.066   12.037 -8.810791 15.43339 
1 1 1   -7   20   40 o   40.872   10.344   11.287   7.1295   10.186   9.1428   12.996   11.388   38.714   13.808   43.030   15.404 -4.315674 20.68708 
1 1 1   -7   20   41 o   70.644   10.423   38.662   9.6495   40.973   13.994   36.568   13.323   72.722   14.706   68.566   14.775 4.156807 20.84599 
1 1 1   -7   20   42 o   46.674   10.203   16.612   6.8711   16.683   8.3920   16.467   11.968   46.722   12.852   46.627   15.850 0.9541702E-01 20.40565 
1 1 1   -7   20   43 f   61.016   9.6561   27.457   7.2105   25.525   8.5292   32.295   13.499   58.515   11.164   63.518   15.759 -5.003429 19.31227 
1 1 1   -7   20   44 o   48.033   10.008   14.288   6.8146   7.9166   8.0987   29.740   12.611   35.038   12.925   61.028   15.283 -25.99064 20.01594 
1 1 1   -7   20   45 o   38.845   9.3282   4.1247   6.2987  -3.7301   7.4551   23.718   11.775   23.329   10.641   54.361   15.324 -31.03191 18.65644 
1 1 1   -7   20   46 o   31.851   9.2650  -1.2600   7.7164   11.378   10.188 -18.2615   11.817   40.130   14.544   23.572   11.482 16.55728 18.53007 
1 1 1   -7   20   47 o   60.495   9.9797   30.134   8.6722   42.201   11.712   15.491   12.902   75.716   11.415   45.274   16.373 30.44254 19.95937 
1 1 1   -7   20   48 o   42.918   10.648   13.907   7.6409   14.397   10.158   13.269   11.596   43.300   14.603   42.535   15.501 0.7648697 21.29566 
1 1 1   -7   20   49 o   50.497   10.520   20.099   7.6557   16.671   10.067   24.800   11.790   45.888   14.480   55.106   15.264 -9.217617 21.03950 
1 1 1   -7   20   50 f   67.005   9.5852   35.637   8.4173   39.269   11.127   30.779   12.871   72.839   11.272   61.170   15.506 11.66974 19.17040 
1 1 1   -7   20   51 o   50.608   11.807   21.465   9.3658   19.605   14.990   22.655   11.995   48.920   17.655   52.296   15.682 -3.376572 23.61402 
1 1 1   -7   20   52 o   56.223   11.132   27.656   9.3893   16.420   14.771   35.275   12.163   45.973   17.355   66.473   13.947 -20.50007 22.26487 
1 1 1   -7   20   53 o   39.065   16.109   8.3895   13.797   8.3895   13.797   0.0000   0.0000   39.065   16.109  ?   ?       ?      ? 
1 1 1   -7   20   54 o   52.009   13.887   21.973   9.9710   21.973   9.9710   0.0000   0.0000   52.009   13.887  ?   ?       ?      ? 
1 1 1   -7   20   55 o   39.243   14.059   11.599   9.4885   11.599   9.4885   0.0000   0.0000   39.243   14.059  ?   ?       ?      ? 
1 1 1   -7   20   56 o   52.800   13.891   22.897   10.073   22.897   10.073   0.0000   0.0000   52.800   13.891  ?   ?       ?      ? 
1 1 1   -7   20   57 o   41.011   14.191   13.381   9.6056   13.381   9.6056   0.0000   0.0000   41.011   14.191  ?   ?       ?      ? 
1 1 1   -7   20   58 o   53.376   13.757   23.643   10.013   23.643   10.013   0.0000   0.0000   53.376   13.757  ?   ?       ?      ? 
1 1 1   -7   20   59 o   44.563   14.299   16.715   9.7844   16.715   9.7844   0.0000   0.0000   44.563   14.299  ?   ?       ?      ? 
1 1 1   -7   20   60 o   46.006   14.159   18.061   9.6918   18.061   9.6918   0.0000   0.0000   46.006   14.159  ?   ?       ?      ? 
1 1 1   -7   20   61 o   36.730   13.513   10.484   8.8436   10.484   8.8436   0.0000   0.0000   36.730   13.513  ?   ?       ?      ? 
1 1 1   -7   20   62 o   43.383   13.838   16.245   9.1745   16.245   9.1745   0.0000   0.0000   43.383   13.838  ?   ?       ?      ? 
1 1 1   -7   20   63 o   20.916   10.040  -8.8872   8.2395  -8.8872   8.2395   0.0000   0.0000   20.916   10.040  ?   ?       ?      ? 
1 1 1   -7   20   64 o   36.634   13.652   11.052   9.0798   11.052   9.0798   0.0000   0.0000   36.634   13.652  ?   ?       ?      ? 
1 1 1   -7   20   65 o   16.908   8.4460 -18.1952   7.9614 -18.1952   7.9614   0.0000   0.0000   16.908   8.4460  ?   ?       ?      ? 
1 1 1   -7   20   66 o   30.969   12.832   6.0883   8.8138   6.0883   8.8138   0.0000   0.0000   30.969   12.832  ?   ?       ?      ? 
1 1 1   -7   21    1 o   78.574   7.5375   44.359   7.7938   49.455   10.300   37.533   11.921   84.368   9.0090   72.780   12.087 11.58768 15.07499 
1 1 1   -7   21    2 o   99.433   6.3987   68.838   8.5186   69.619   11.256   67.791   13.032  100.296   8.2818   98.571   9.7563 1.725731 12.79737 
1 1 1   -7   21    3 o   75.993   7.5776   41.031   7.6265   43.339   9.9795   37.790   11.825   78.912   9.3322   73.074   11.941 5.838127 15.15515 
1 1 1   -7   21    4 o   66.442   8.5986   31.647   7.4730   31.026   9.7779   32.519   11.588   66.457   10.857   66.426   13.337 0.3097534E-01 17.19720 
1 1 1   -7   21    5 o   89.015   6.9816   55.215   8.2494   54.783   10.636   55.866   13.069   88.841   8.8346   89.188   10.813 -0.3464966 13.96319 
1 1 1   -7   21    6 o   80.240   10.353   48.775   9.0394   50.034   10.273   44.455   19.028   84.879   8.9310   75.601   18.681 9.277817 20.70645 
1 1 1   -7   21    7 o   80.751   9.6209   41.396   8.9193   35.959   10.104   60.587   18.984   71.639   10.408   89.864   16.184 -18.22491 19.24179 
1 1 1   -7   21    8 o   64.985   10.508   38.151   8.7228   45.707   9.9849   13.802   17.924   81.080   9.0876   48.891   18.950 32.18906 21.01613 
1 1 1   -7   21    9 o   85.875   7.2093   52.101   8.2300   54.475   10.809   48.826   12.696   88.526   9.0099   83.224   11.257 5.302170 14.41863 
1 1 1   -7   21   10 o   93.613   6.6876   61.140   8.3673   61.436   10.988   60.731   12.910   94.105   8.6160   93.120   10.230 0.9853821 13.37528 
1 1 1   -7   21   11 o   75.846   8.6838   41.825   7.2446   42.142   8.2773   40.784   14.978   78.093   7.8216   73.599   15.507 4.494476 17.36759 
1 1 1   -7   21   12 o   55.036   9.8792   18.408   6.5820   13.943   7.4984   33.399   13.740   43.640   12.203   66.432   15.540 -22.79173 19.75834 
1 1 1   -7   21   13 o   39.874   13.905   10.585   9.2313   10.585   9.2313   0.0000   0.0000   39.874   13.905  ?   ?       ?      ? 
1 1 1   -7   21   14 o   58.372   12.649   25.162   9.7170   25.162   9.7170   0.0000   0.0000   58.372   12.649  ?   ?       ?      ? 
1 1 1   -7   21   15 o   76.727   7.8978   35.966   7.1665   30.860   8.1131   54.099   15.289   66.572   8.9932   86.881   12.985 -20.30967 15.79554 
1 1 1   -7   21   16 o   72.054   8.4626   34.629   6.9716   31.966   7.9525   43.467   14.490   67.808   8.6545   76.300   14.545 -8.491585 16.92521 
1 1 1   -7   21   17 o   77.665   9.1322   49.506   7.5463   54.716   8.7158   33.907   15.082   89.043   7.2231   66.287   16.775 22.75579 18.26444 
1 1 1   -7   21   18 o   65.499   9.4106   34.517   7.0869   37.691   8.2049   25.195   14.063   73.689   8.2165   57.309   16.933 16.38006 18.82110 
1 1 1   -7   21   19 o   38.876   9.1042   10.821   6.2453   15.844   7.2610  -3.4592   12.243   46.344   11.591   31.408   14.042 14.93608 18.20835 
1 1 1   -7   21   20 o   69.430   8.4698   31.992   6.9692   28.608   8.0663   41.957   13.842   63.942   9.3091   74.918   14.152 -10.97612 16.93962 
1 1 1   -7   21   21 o   65.173   9.0253   28.291   6.9781   24.419   8.0956   39.484   13.764   57.955   10.702   72.391   14.535 -14.43645 18.05053 
1 1 1   -7   21   22 o   52.603   9.7554   21.557   6.6683   23.056   7.8312   17.604   12.718   56.261   10.662   48.946   16.340 7.315239 19.51076 
1 1 1   -7   21   23 o   43.274   10.805   12.647   7.7426   11.763   9.8758   14.057   12.473   41.355   14.385   45.193   16.127 -3.838070 21.61025 
1 1 1   -7   21   24 f   49.054   8.6202   16.829   7.8428   34.037   10.226  -7.7487   12.221   69.184   10.907   28.924   13.351 40.26021 17.24046 
1 1 1   -7   21   25 o   34.260   9.5863   5.7644   6.2170   6.5033   7.3580   3.9205   11.623   33.120   12.300   35.400   14.707 -2.280079 19.17270 
1 1 1   -7   21   26 o   40.192   9.8902   11.337   6.4761   13.050   7.7146   7.2493   11.917   42.035   12.570   38.349   15.273 3.685570 19.78032 
1 1 1   -7   21   27 o   80.008   7.6574   44.506   7.4823   42.996   8.7924   48.471   14.247   78.452   8.2703   81.564   12.890 -3.111488 15.31476 
1 1 1   -7   21   28 o   52.888   9.1911   24.043   6.9090   30.318   8.1933   8.5992   12.853   65.602   9.2163   40.174   15.905 25.42823 18.38214 
1 1 1   -7   21   29 o   42.280   10.373   12.072   7.0741   9.8757   8.8991   15.844   11.660   38.288   13.627   46.272   15.645 -7.984497 20.74697 
1 1 1   -7   21   30 o   42.015   10.102   12.790   6.5697   13.736   7.7264   10.320   12.482   42.831   12.522   41.200   15.857 1.631157 20.20475 
1 1 1   -7   21   31 o   62.909   9.4885   28.056   8.0889   28.056   8.0889   0.0000   0.0000   62.909   9.4885  ?   ?       ?      ? 
1 1 1   -7   21   32 o   48.508   11.841   17.750   7.7160   17.750   7.7160   0.0000   0.0000   48.508   11.841  ?   ?       ?      ? 
1 1 1   -7   21   33 o   31.926   9.2231  -0.3249   6.0275  -5.0076   7.0740   12.083   11.515   21.872   10.118   41.981   15.424 -20.10906 18.44623 
1 1 1   -7   21   34 o   33.196   9.3400   5.6279   6.1237   7.8683   7.1167  -0.7620   12.019   34.292   12.188   32.101   14.156 2.190258 18.67993 
1 1 1   -7   21   35 o   55.911   10.336   25.290   7.7767   27.270   9.5762   21.454   13.327   60.015   12.191   51.807   16.694 8.207626 20.67161 
1 1 1   -7   21   36 o   46.407   9.9224   13.005   8.5895   31.514   12.203  -5.1733   12.093   63.265   14.538   29.550   13.508 33.71503 19.84488 
1 1 1   -7   21   37 o   35.334   9.2763   7.9856   6.2337   11.740   7.3570  -1.5715   11.738   39.583   12.362   31.084   13.834 8.498863 18.55263 
1 1 1   -7   21   38 o   52.639   10.000   20.683   6.6741   19.209   7.7874   24.759   12.953   50.230   11.664   55.048   16.247 -4.818771 20.00045 
1 1 1   -7   21   39 o   53.669   9.3548   16.715   6.6516   8.1949   7.7401   40.780   13.008   34.944   12.675   72.394   13.762 -37.44926 18.70958 
1 1 1   -7   21   40 o   44.417   10.269   14.339   6.6187   12.733   7.8437   18.312   12.334   40.885   12.764   47.949   16.091 -7.063446 20.53871 
1 1 1   -7   21   41 o   59.698   8.7280   21.041   6.8235   10.064   8.0163   49.914   13.001   37.343   12.962   82.053   11.692 -44.70950 17.45604 
1 1 1   -7   21   42 o   34.441   9.3727  -1.0035   8.2678 -26.0660   12.761   17.126   10.854   22.480   11.139   46.402   15.077 -23.92144 18.74536 
1 1 1   -7   21   43 o   57.028   11.363   25.696   9.2642   37.144   14.591   17.965   11.991   66.800   16.270   47.256   15.866 19.54383 22.72517 
1 1 1   -7   21   44 o   58.192   10.413   28.591   9.7446   8.5984   14.772   43.995   12.966   40.142   16.621   76.241   12.550 -36.09904 20.82644 
1 1 1   -7   21   45 o   40.665   11.048   10.001   8.7858   18.060   13.303   3.7672   11.700   47.222   16.676   34.108   14.497 13.11382 22.09673 
1 1 1   -7   21   46 o   36.310   10.020   6.3934   7.4057   0.2530   9.8155   14.509   11.284   29.403   12.885   43.218   15.348 -13.81454 20.03951 
1 1 1   -7   21   47 o   40.785   10.589   11.369   7.6360   7.3534   9.8153   17.526   12.153   35.210   13.912   46.361   15.967 -11.15112 21.17712 
1 1 1   -7   21   48 o   66.636   12.304   34.544   10.701   34.544   10.701   0.0000   0.0000   66.636   12.304  ?   ?       ?      ? 
1 1 1   -7   21   49 o   60.478   12.925   29.069   10.272   29.069   10.272   0.0000   0.0000   60.478   12.925  ?   ?       ?      ? 
1 1 1   -7   21   50 o   32.980   13.315   5.8456   9.1897   5.8456   9.1897   0.0000   0.0000   32.980   13.315  ?   ?       ?      ? 
1 1 1   -7   21   51 o   37.867   13.808   10.703   9.2035   10.703   9.2035   0.0000   0.0000   37.867   13.808  ?   ?       ?      ? 
1 1 1   -7   21   52 f   24.947   11.402  -3.3363   8.6117  -3.3363   8.6117   0.0000   0.0000   24.947   11.402  ?   ?       ?      ? 
1 1 1   -7   21   53 o   40.812   14.074   13.497   9.4444   13.497   9.4444   0.0000   0.0000   40.812   14.074  ?   ?       ?      ? 
1 1 1   -7   21   54 o   19.525   9.5671 -14.1892   8.5623 -14.1892   8.5623   0.0000   0.0000   19.525   9.5671  ?   ?       ?      ? 
1 1 1   -7   21   55 o   35.705   13.542   9.3830   9.0190   9.3830   9.0190   0.0000   0.0000   35.705   13.542  ?   ?       ?      ? 
1 1 1   -7   21   56 o   39.246   13.723   12.712   8.9942   12.712   8.9942   0.0000   0.0000   39.246   13.723  ?   ?       ?      ? 
1 1 1   -7   21   57 o   46.293   13.630   18.558   9.1263   18.558   9.1263   0.0000   0.0000   46.293   13.630  ?   ?       ?      ? 
1 1 1   -7   21   58 f   45.454   13.774   18.190   9.2182   18.190   9.2182   0.0000   0.0000   45.454   13.774  ?   ?       ?      ? 
1 1 1   -7   21   59 o   27.406   12.054   1.3620   8.6623   1.3620   8.6623   0.0000   0.0000   27.406   12.054  ?   ?       ?      ? 
1 1 1   -7   21   60 o   18.574   9.1363 -13.4683   8.0539 -13.4683   8.0539   0.0000   0.0000   18.574   9.1363  ?   ?       ?      ? 
1 1 1   -7   21   61 o   27.094   11.947   1.6128   8.5591   1.6128   8.5591   0.0000   0.0000   27.094   11.947  ?   ?       ?      ? 
1 1 1   -7   21   62 o   30.443   13.634   3.0174   11.594   3.0174   11.594   0.0000   0.0000   30.443   13.634  ?   ?       ?      ? 
1 1 1   -7   22    1 o   56.504   9.2521   23.629   6.7851   21.678   8.5814   26.882   11.083   53.788   12.070   59.221   14.026 -5.433105 18.50421 
1 1 1   -7   22    2 o  100.381   6.2008   69.300   8.2974   63.113   10.643   78.889   13.249   94.983   8.2685  105.779   9.2430 -10.79549 12.40163 
1 1 1   -7   22    3 o   35.458   9.5711   5.6952   6.3676   1.8363   8.0125   12.310   10.490   28.911   12.127   42.005   14.811 -13.09404 19.14222 
1 1 1   -7   22    4 o   34.439   9.0972   6.1434   6.3555   11.968   7.9880  -3.9032   10.491   40.493   12.912   28.386   12.819 12.10741 18.19440 
1 1 1   -7   22    5 o   99.840   6.2818   68.133   8.3480   60.276   10.653   80.637   13.439   92.750   8.4754  106.930   9.2743 -14.18031 12.56361 
1 1 1   -7   22    6 o   53.194   8.9003   23.105   6.7632   30.952   8.5928   10.329   10.964   66.157   9.5846   40.231   15.000 25.92625 17.80055 
1 1 1   -7   22    7 o   29.253   8.8472   1.1369   6.0584   2.2501   7.5002  -0.9533   10.277   28.537   11.832   29.968   13.157 -1.431095 17.69445 
1 1 1   -7   22    8 o   30.932   9.4245   1.4387   6.5343   2.4194   7.5890  -1.3724   12.849   28.826   11.922   33.037   14.599 -4.211533 18.84903 
1 1 1   -7   22    9 o   66.301   9.6997   32.499   7.7882   31.807   9.1759   34.280   14.729   66.879   10.125   65.723   16.548 1.155762 19.39944 
1 1 1   -7   22   10 o   41.424   10.036   5.7439   6.7887  -1.0789   7.8820   25.348   13.361   26.217   11.516   56.631   16.440 -30.41410 20.07217 
1 1 1   -7   22   11 o   37.902   9.9741   4.1538   6.7896  -1.8371   8.0356   19.104   12.694   25.886   11.487   49.917   16.309 -24.03124 19.94828 
1 1 1   -7   22   12 o   77.778   8.8094   43.405   8.3106   41.491   9.9061   47.954   15.271   76.541   9.5504   79.014   14.806 -2.472237 17.61871 
1 1 1   -7   22   13 o   46.646   10.445   16.607   7.1772   17.613   8.6122   14.319   12.986   48.147   12.927   45.145   16.411 3.001781 20.89075 
1 1 1   -7   22   14 o   37.040   9.6592   1.8283   6.7215  -5.8096   7.9990   20.179   12.399   23.136   10.722   50.945   16.070 -27.80838 19.31843 
1 1 1   -7   22   15 o   66.907   9.5328   31.703   7.8020   27.808   9.2847   41.060   14.392   61.136   11.632   72.678   15.106 -11.54240 19.06554 
1 1 1   -7   22   16 o   53.987   10.432   18.839   7.5807   11.895   9.0009   35.784   14.061   40.622   13.746   67.352   15.696 -26.73062 20.86390 
1 1 1   -7   22   17 o   33.245   10.434  -1.8034   9.3514   0.8904   13.895  -4.0336   12.643   35.400   15.426   31.089   14.053 4.310247 20.86731 
1 1 1   -7   22   18 o   37.352   10.950   4.0456   9.3429   11.036   13.565  -2.2629   12.887   42.349   16.466   32.354   14.440 9.994743 21.90058 
1 1 1   -7   22   19 o   37.071   10.333   3.9825   7.3274  -1.0481   8.7261   16.012   13.494   27.469   12.090   46.673   16.761 -19.20442 20.66679 
1 1 1   -7   22   20 o   25.211   12.172 -16.8556   12.530 -16.8556   12.530   0.0000   0.0000   25.211   12.172  ?   ?       ?      ? 
1 1 1   -7   22   21 o   52.627   17.475   22.141   14.552   22.141   14.552   0.0000   0.0000   52.627   17.475  ?   ?       ?      ? 
1 1 1   -7   22   22 o   67.282   9.7503   36.111   8.1337   38.970   9.8863   30.123   14.309   73.790   9.8868   60.774   16.809 13.01527 19.50063 
1 1 1   -7   22   23 o   39.543   10.271   10.690   6.9970   11.900   8.3638   7.8666   12.772   40.159   13.244   38.927   15.704 1.231853 20.54300 
1 1 1   -7   22   24 o   61.517   9.8169   29.684   7.6682   30.841   9.2517   27.144   13.706   65.369   10.444   57.666   16.625 7.703098 19.63372 
1 1 1   -7   22   25 o   37.214   9.6011   8.9274   6.9553   14.354   8.3379  -3.4875   12.612   43.335   13.093   31.092   14.047 12.24240 19.20225 
1 1 1   -7   22   26 o   23.710   10.858  -4.2405   7.8633  -4.2405   7.8633   0.0000   0.0000   23.710   10.858  ?   ?       ?      ? 
1 1 1   -7   22   27 o   52.337   12.596   21.127   8.8253   21.127   8.8253   0.0000   0.0000   52.337   12.596  ?   ?       ?      ? 
1 1 1   -7   22   28 o   87.871   7.6943   51.660   8.6262   43.364   10.301   71.137   15.783   77.637   9.7907   98.104   11.872 -20.46736 15.38852 
1 1 1   -7   22   29 o   82.110   8.1387   45.722   8.5415   38.516   10.221   62.404   15.551   72.873   10.351   91.347   12.563 -18.47491 16.27733 
1 1 1   -7   22   30 o   40.646   11.067   10.609   8.6243   7.9405   11.746   13.730   12.703   37.783   15.124   43.509   16.161 -5.725426 22.13385 
1 1 1   -7   22   31 o   25.902   8.4291  -4.6244   6.6063  -2.7467   8.1591  -8.1988   11.257   25.108   11.325   26.696   12.488 -1.587934 16.85823 
1 1 1   -7   22   32 o   57.775   9.5707   28.125   7.0167   31.160   8.2357   20.090   13.402   65.892   9.2232   49.657   16.773 16.23547 19.14141 
1 1 1   -7   22   33 o   67.085   9.1904   35.334   7.2606   36.282   8.5372   32.859   13.802   71.226   8.8450   62.944   16.113 8.281345 18.38084 
1 1 1   -7   22   34 o   47.793   10.086   18.353   6.6876   19.025   7.8430   16.561   12.801   49.657   11.825   45.929   16.343 3.728230 20.17249 
1 1 1   -7   22   35 o   51.952   10.101   20.003   6.6800   17.744   7.7751   26.371   13.054   47.816   12.014   56.089   16.241 -8.273319 20.20169 
1 1 1   -7   22   36 o   44.418   10.244   14.408   6.4675   12.759   7.5428   18.988   12.568   40.659   12.487   48.177   16.243 -7.518021 20.48832 
1 1 1   -7   22   37 o   57.636   10.498   25.140   8.0231   19.293   9.8911   36.388   13.719   48.894   14.131   66.378   15.527 -17.48420 20.99511 
1 1 1   -7   22   38 o   51.211   10.692   20.720   7.8387   16.565   10.028   27.248   12.569   45.413   14.465   57.010   15.748 -11.59620 21.38350 
1 1 1   -7   22   39 o   37.367   10.078   9.2757   7.2677   12.428   9.4741   4.7678   11.329   40.380   14.087   34.354   14.415 6.025833 20.15505 
1 1 1   -7   22   40 o   47.162   10.124   18.719   7.7004   25.343   9.8845   8.4924   12.282   56.349   13.179   37.974   15.372 18.37493 20.24797 
1 1 1   -7   22   41 o   36.287   9.8550   5.0642   7.1794  -2.4193   9.0849   17.511   11.716   26.455   11.940   46.119   15.682 -19.66374 19.70991 
1 1 1   -7   22   42 o   44.813   9.8888   16.779   7.5599   24.061   9.5360   4.4610   12.403   54.771   13.036   34.855   14.873 19.91571 19.77752 
1 1 1   -7   22   43 o   51.525   10.686   21.540   7.6798   18.921   9.5305   26.390   12.969   47.988   13.872   55.062   16.259 -7.074619 21.37237 
1 1 1   -7   22   44 o   47.307   13.887   18.481   9.4854   18.481   9.4854   0.0000   0.0000   47.307   13.887  ?   ?       ?      ? 
1 1 1   -7   22   45 o   24.797   11.302  -3.0501   8.3875  -3.0501   8.3875   0.0000   0.0000   24.797   11.302  ?   ?       ?      ? 
1 1 1   -7   22   46 o   34.382   13.370   7.8181   8.9444   7.8181   8.9444   0.0000   0.0000   34.382   13.370  ?   ?       ?      ? 
1 1 1   -7   22   47 o   40.051   13.751   12.986   9.0113   12.986   9.0113   0.0000   0.0000   40.051   13.751  ?   ?       ?      ? 
1 1 1   -7   22   48 o   24.378   11.221  -3.7610   8.5432  -3.7610   8.5432   0.0000   0.0000   24.378   11.221  ?   ?       ?      ? 
1 1 1   -7   22   49 o   26.097   11.603  -0.3817   8.2379  -0.3817   8.2379   0.0000   0.0000   26.097   11.603  ?   ?       ?      ? 
1 1 1   -7   22   50 o   32.046   12.808   6.4375   8.4107   6.4375   8.4107   0.0000   0.0000   32.046   12.808  ?   ?       ?      ? 
1 1 1   -7   22   51 o   33.759   12.987   8.2674   8.3703   8.2674   8.3703   0.0000   0.0000   33.759   12.987  ?   ?       ?      ? 
1 1 1   -7   22   52 o   34.576   13.136   9.1362   8.4959   9.1362   8.4959   0.0000   0.0000   34.576   13.136  ?   ?       ?      ? 
1 1 1   -7   22   53 o   46.135   13.393   18.743   8.8666   18.743   8.8666   0.0000   0.0000   46.135   13.393  ?   ?       ?      ? 
1 1 1   -7   22   54 o   27.624   12.010   2.2502   8.3829   2.2502   8.3829   0.0000   0.0000   27.624   12.010  ?   ?       ?      ? 
1 1 1   -7   22   55 o   31.273   12.719   6.5838   8.4544   6.5838   8.4544   0.0000   0.0000   31.273   12.719  ?   ?       ?      ? 
1 1 1   -7   22   56 o   27.088   12.683  -3.6468   11.656  -3.6468   11.656   0.0000   0.0000   27.088   12.683  ?   ?       ?      ? 
1 1 1   -7   23    1 o   39.142   9.4316   11.093   6.4687   16.031   8.3375   3.6267   10.253   45.455   12.923   32.829   13.741 12.62614 18.86318 
1 1 1   -7   23    2 o   63.473   8.5174   28.839   7.0572   20.384   9.0384   42.043   11.296   51.133   13.012   75.813   10.995 -24.67941 17.03488 
1 1 1   -7   23    3 o   33.975   9.1914   3.7028   6.2082  -2.4962   7.8327   14.178   10.182   24.783   11.144   43.168   14.619 -18.38525 18.38277 
1 1 1   -7   23    4 o   31.918   9.2545   2.9055   6.2944  -0.4143   7.9225   8.5880   10.365   26.496   11.594   37.339   14.428 -10.84345 18.50899 
1 1 1   -7   23    5 o   55.769   9.0586   24.783   6.8154   29.003   8.8177   18.521   10.741   63.259   10.286   48.280   14.914 14.97897 18.11715 
1 1 1   -7   23    6 o   45.770   9.7974   16.449   6.5515   17.204   8.4149   15.286   10.440   47.056   12.839   44.485   14.802 2.571533 19.59477 
1 1 1   -7   23    7 o   48.868   9.7648   18.458   6.6384   16.889   8.5199   20.883   10.590   46.587   13.001   51.149   14.573 -4.561420 19.52962 
1 1 1   -7   23    8 o   72.564   7.6594   37.470   7.4346   31.403   9.6774   46.208   11.614   65.549   10.894   79.579   10.769 -14.03004 15.31874 
1 1 1   -7   23    9 o   38.969   10.584   9.5401   8.1074   3.6892   12.748   13.514   10.506   35.458   15.103   42.480   14.833 -7.021706 21.16894 
1 1 1   -7   23   10 f   53.601   10.622   23.848   8.0346   26.491   10.003   19.043   13.488   58.399   12.977   48.803   16.820 9.595875 21.24409 
1 1 1   -7   23   11 o   52.121   10.902   21.913   8.0248   22.019   9.9014   21.708   13.699   52.797   13.715   51.444   16.949 1.353180 21.80311 
1 1 1   -7   23   12 o   40.025   10.110   11.128   6.2105   10.991   7.0606   11.599   13.056   38.296   12.132   41.753   16.176 -3.457657 20.21958 
1 1 1   -7   23   13 o   42.834   9.6556   14.860   6.1812   16.971   6.9911   7.2995   13.230   47.259   11.104   38.410   15.799 8.849682 19.31113 
1 1 1   -7   23   14 o   39.202   8.7433   12.447   6.1712   18.032   6.9845  -7.4302   13.177   48.837   10.837   29.567   13.724 19.27019 17.48652 
1 1 1   -7   23   15 o   44.734   9.6666   16.458   6.2355   18.469   7.1011   9.6853   13.032   49.397   10.900   40.071   15.967 9.326206 19.33316 
1 1 1   -7   23   16 o   57.942   9.8874   24.932   6.6620   23.532   7.5305   29.973   14.289   56.204   10.265   59.679   16.902 -3.474899 19.77477 
1 1 1   -7   23   17 o   43.482   10.225   13.801   6.3251   13.096   7.2335   16.089   13.037   41.308   12.127   45.656   16.466 -4.347733 20.44985 
1 1 1   -7   23   18 o   36.829   9.9773   7.8254   6.0784   6.7453   6.9162   11.491   12.741   32.344   11.942   41.313   15.987 -8.969620 19.95458 
1 1 1   -7   23   19 o   37.928   10.003   9.6569   6.0740   10.088   6.7746   7.8917   13.715   36.813   11.907   39.044   16.076 -2.230728 20.00543 
1 1 1   -7   23   20 f   32.477   11.963   6.8638   6.9341   6.8638   6.9341   0.0000   0.0000   32.477   11.963  ?   ?       ?      ? 
1 1 1   -7   23   21 o   44.246   11.907   15.146   7.2968   15.146   7.2968   0.0000   0.0000   44.246   11.907  ?   ?       ?      ? 
1 1 1   -7   23   22 o   39.494   9.0465   12.651   6.1206   16.970   7.0143  -1.1321   12.531   47.085   11.163   31.903   14.239 15.18289 18.09293 
1 1 1   -7   23   23 o   47.518   10.012   18.264   6.4913   19.035   7.4537   15.846   13.208   49.836   11.297   45.200   16.532 4.636482 20.02333 
1 1 1   -7   23   24 o   39.629   10.846   8.8387   8.5241   2.5246   11.272   17.273   13.028   32.796   14.091   46.462   16.492 -13.66590 21.69230 
1 1 1   -7   23   25 o   36.848   9.8149   9.0334   7.0376   13.133   8.4439  -0.2918   12.736   41.171   13.291   32.525   14.446 8.645535 19.62986 
1 1 1   -7   23   26 o   41.485   10.224   12.634   6.3558   12.391   7.2380   13.450   13.285   40.065   12.220   42.905   16.396 -2.839241 20.44848 
1 1 1   -7   23   27 o   39.117   10.513   9.3619   6.7187   7.7558   7.6532   14.760   14.031   33.992   12.560   44.242   16.864 -10.24993 21.02688 
1 1 1   -7   23   28 o   78.761   10.264   45.567   10.955   45.567   10.955   0.0000   0.0000   78.761   10.264  ?   ?       ?      ? 
1 1 1   -7   23   29 o   23.179   10.539  -3.0111   7.2380  -3.0111   7.2380   0.0000   0.0000   23.179   10.539  ?   ?       ?      ? 
1 1 1   -7   23   30 o   38.278   9.4223   11.311   6.5938   15.799   7.6179  -2.0961   13.167   44.793   12.214   31.763   14.351 13.02931 18.84458 
1 1 1   -7   23   31 o   73.249   8.8921   42.053   7.3982   42.628   8.6064   40.425   14.480   77.144   8.2325   69.354   15.764 7.789558 17.78420 
1 1 1   -7   23   32 o   37.898   9.3597   2.5001   7.0552  -9.4386   8.7636   24.489   11.893   22.043   10.519   53.753   15.484 -31.71028 18.71930 
1 1 1   -7   23   33 o   55.909   9.0807   19.847   7.5033   6.3548   9.1724   47.139   13.045   33.462   13.375   78.355   12.286 -44.89333 18.16142 
1 1 1   -7   23   34 o   44.917   10.565   16.409   7.3493   15.658   9.2490   17.696   12.105   43.870   13.884   45.964   15.929 -2.093784 21.13044 
1 1 1   -7   23   35 o   33.060   9.6558   5.0522   6.8389   3.6746   8.6592   7.3361   11.150   30.349   12.659   35.771   14.584 -5.421320 19.31151 
1 1 1   -7   23   36 o   28.115   8.8461  -2.2232   6.6284  -6.2970   8.3429   4.7498   10.915   22.813   10.697   33.417   14.092 -10.60473 17.69220 
1 1 1   -7   23   37 o   37.136   10.066   9.9152   7.0043   11.204   8.6020   7.3787   12.066   38.033   13.412   36.239   15.014 1.794209 20.13235 
1 1 1   -7   23   38 o   28.931   8.9643   0.9519   6.7192   3.2875   8.5086  -2.9179   10.952   29.628   12.465   28.233   12.886 1.394285 17.92856 
1 1 1   -7   23   39 o   33.869   13.101   7.7297   8.5533   7.7297   8.5533   0.0000   0.0000   33.869   13.101  ?   ?       ?      ? 
1 1 1   -7   23   40 o   36.966   13.485   10.541   8.7802   10.541   8.7802   0.0000   0.0000   36.966   13.485  ?   ?       ?      ? 
1 1 1   -7   23   41 o   23.119   10.785  -5.1827   8.3041  -5.1827   8.3041   0.0000   0.0000   23.119   10.785  ?   ?       ?      ? 
1 1 1   -7   23   42 o   46.814   13.464   18.687   8.9989   18.687   8.9989   0.0000   0.0000   46.814   13.464  ?   ?       ?      ? 
1 1 1   -7   23   43 o   26.930   11.845   0.7374   8.3648   0.7374   8.3648   0.0000   0.0000   26.930   11.845  ?   ?       ?      ? 
1 1 1   -7   23   44 o   37.725   13.372   11.752   8.5620   11.752   8.5620   0.0000   0.0000   37.725   13.372  ?   ?       ?      ? 
1 1 1   -7   23   45 o   32.596   12.953   7.2660   8.5547   7.2660   8.5547   0.0000   0.0000   32.596   12.953  ?   ?       ?      ? 
1 1 1   -7   23   46 o   36.890   13.443   11.363   8.7221   11.363   8.7221   0.0000   0.0000   36.890   13.443  ?   ?       ?      ? 
1 1 1   -7   23   47 o   45.647   16.779   21.179   13.629   21.179   13.629   0.0000   0.0000   45.647   16.779  ?   ?       ?      ? 
1 1 1   -7   23   48 o   38.471   15.813   12.971   13.242   12.971   13.242   0.0000   0.0000   38.471   15.813  ?   ?       ?      ? 
1 1 1   -7   23   49 o   38.942   16.121   14.062   13.894   14.062   13.894   0.0000   0.0000   38.942   16.121  ?   ?       ?      ? 
1 1 1   -7   24    1 o   29.247   12.743   0.7733   9.4799   0.0000   0.0000   0.7733   9.4799  ?   ?    29.247   12.743      ?      ? 
1 1 1   -7   24    2 o   27.084   12.256  -2.7571   9.6482   0.0000   0.0000  -2.7571   9.6482  ?   ?    27.084   12.256      ?      ? 
1 1 1   -7   24    3 o   25.072   11.685  -6.4345   9.7099   0.0000   0.0000  -6.4345   9.7099  ?   ?    25.072   11.685      ?      ? 
1 1 1   -7   24    4 o   42.351   10.343   13.852   7.6003   7.4388   11.323   19.110   10.253   36.407   14.752   48.295   14.502 -11.88778 20.68655 
1 1 1   -7   24    5 f   47.378   10.599   18.105   7.6612   22.444   11.435   14.572   10.320   51.840   15.255   42.917   14.717 8.923100 21.19712 
1 1 1   -7   24    6 o   40.915   10.323   12.723   7.3053   10.135   10.546   15.110   10.129   38.317   14.617   43.512   14.582 -5.194798 20.64659 
1 1 1   -7   24    7 f   40.389   10.142   11.134   7.3299   19.031   10.901   4.6169   9.9029   48.010   15.056   32.768   13.591 15.24145 20.28353 
1 1 1   -7   24    8 o   33.237   9.6748   4.2719   7.1359   9.2015   10.604   0.1915   9.6474   37.442   14.558   29.033   12.747 8.408712 19.34967 
1 1 1   -7   24    9 o   40.024   10.301   11.163   6.7365   9.5794   8.0108   14.987   12.449   36.319   12.928   43.729   16.042 -7.410137 20.60271 
1 1 1   -7   24   10 o   33.921   9.8748   4.7189   6.6398   2.8881   7.7976   9.5474   12.663   28.824   12.017   39.017   15.673 -10.19296 19.74968 
1 1 1   -7   24   11 f   51.237   10.103   22.969   7.3674   26.306   8.7971   15.132   13.482   58.389   11.527   44.084   16.595 14.30542 20.20518 
1 1 1   -7   24   12 o   39.930   13.204   12.390   8.3110   12.390   8.3110   0.0000   0.0000   39.930   13.204  ?   ?       ?      ? 
1 1 1   -7   24   13 o   18.963   9.1801 -10.4379   7.2490 -10.4379   7.2490   0.0000   0.0000   18.963   9.1801  ?   ?       ?      ? 
1 1 1   -7   24   14 o   41.797   13.171   13.842   8.3312   13.842   8.3312   0.0000   0.0000   41.797   13.171  ?   ?       ?      ? 
1 1 1   -7   24   15 o   31.482   9.5525   1.8995   6.7325  -0.1397   8.0306   6.7222   12.350   26.497   11.632   36.466   15.156 -9.968578 19.10504 
1 1 1   -7   24   16 o   32.262   9.4967   1.0831   6.6557  -3.9535   8.0228   12.202   11.920   23.791   10.922   40.734   15.539 -16.94296 18.99347 
1 1 1   -7   24   17 o   40.280   10.118   10.001   6.9104   4.4819   8.4860   20.866   11.906   31.023   12.694   49.536   15.760 -18.51233 20.23681 
1 1 1   -7   24   18 o   41.727   10.983   13.114   8.3949   16.989   12.141   9.5648   11.620   45.317   15.939   38.137   15.115 7.179497 21.96606 
1 1 1   -7   24   19 o   30.841   8.8411   4.4535   5.9825   7.9483   7.2427  -3.0516   10.614   33.661   12.253   28.021   12.749 5.639788 17.68225 
1 1 1   -7   24   20 o   49.578   9.7043   19.995   6.3285   19.947   7.4340   20.122   12.061   50.673   11.130   48.483   15.900 2.189808 19.40861 
1 1 1   -7   24   21 o   31.253   8.9821   4.9884   5.9401   7.4496   7.0176  -1.2319   11.156   32.818   12.043   29.688   13.329 3.130554 17.96420 
1 1 1   -7   24   22 o   31.742   9.0883   5.4500   5.9409   7.3430   7.0099   0.6240   11.192   32.642   12.028   30.842   13.628 1.800627 18.17652 
1 1 1   -7   24   23 o   41.755   9.1850   14.982   6.1941   18.885   7.3528   5.4447   11.495   49.069   11.292   34.440   14.489 14.62937 18.36996 
1 1 1   -7   24   24 o   26.417   8.3587  -0.7216   5.8824   1.0955   7.0157  -5.0229   10.794   25.835   11.109   26.999   12.492 -1.163969 16.71741 
1 1 1   -7   24   25 o   42.213   9.4173   15.440   6.4162   19.089   7.5959   6.3532   11.987   49.059   11.607   35.366   14.833 13.69344 18.83467 
1 1 1   -7   24   26 o   30.147   9.1053   2.2777   6.8382   6.4722   8.6712  -4.6218   11.121   32.767   13.035   27.527   12.717 5.239658 18.21058 
1 1 1   -7   24   27 o   34.103   10.180   0.9868   8.6953   14.759   13.129  -9.7753   11.606   42.515   16.287   25.690   12.216 16.82523 20.35902 
1 1 1   -7   24   28 o   43.726   11.587   16.180   9.2157   17.427   13.973   15.220   12.260   44.790   16.887   42.663   15.871 2.126968 23.17411 
1 1 1   -7   24   29 o   58.506   10.030   25.523   9.7299   55.748   15.175   4.4213   12.679   82.822   13.521   34.190   14.818 48.63161 20.05911 
1 1 1   -7   24   30 o   57.078   11.526   30.340   9.6808   22.774   14.166   36.970   13.260   49.246   17.223   64.911   15.321 -15.66438 23.05117 
1 1 1   -7   24   31 o   50.688   11.657   24.011   9.5631   16.864   13.883   30.465   13.192   43.776   16.753   57.600   16.215 -13.82399 23.31462 
1 1 1   -7   24   32 o   42.331   10.506   9.7172   8.8918   30.958   13.763  -5.5001   11.649   57.337   16.698   27.325   12.756 30.01201 21.01292 
1 1 1   -7   24   33 f   36.503   10.412   8.1169   8.5988  -1.5346   12.834   15.979   11.583   30.428   13.911   42.579   15.496 -12.15152 20.82417 
1 1 1   -7   24   34 o   26.917   12.691  -6.9514   12.028  -6.9514   12.028   0.0000   0.0000   26.917   12.691  ?   ?       ?      ? 
1 1 1   -7   24   35 f   31.090   14.088   0.2930   12.797   0.2930   12.797   0.0000   0.0000   31.090   14.088  ?   ?       ?      ? 
1 1 1   -7   24   36 o   36.958   15.585   9.5498   13.348   9.5498   13.348   0.0000   0.0000   36.958   15.585  ?   ?       ?      ? 
1 1 1   -7   24   37 o   39.104   16.074   12.740   13.683   12.740   13.683   0.0000   0.0000   39.104   16.074  ?   ?       ?      ? 
1 1 1   -7   24   38 o   34.608   14.977   7.0170   12.915   7.0170   12.915   0.0000   0.0000   34.608   14.977  ?   ?       ?      ? 
1 1 1   -7   24   39 o   29.128   13.483  -1.9786   12.593  -1.9786   12.593   0.0000   0.0000   29.128   13.483  ?   ?       ?      ? 
1 1 1   -7   24   40 o   43.548   16.496   19.426   13.375   19.426   13.375   0.0000   0.0000   43.548   16.496  ?   ?       ?      ? 
1 1 1   -7   24   41 o   48.015   17.153   25.288   14.114   25.288   14.114   0.0000   0.0000   48.015   17.153  ?   ?       ?      ? 
1 1 1   -7   25    1 o   37.368   10.855   8.7539   8.8150   5.1937   11.755   13.329   13.325   33.850   14.462   40.886   16.192 -7.035660 21.71021 
1 1 1   -7   25    2 o   43.253   11.447   16.121   9.1493   18.898   12.582   13.004   13.329   45.872   16.216   40.635   16.162 5.236584 22.89430 
1 1 1   -7   25    3 o   28.727   9.3593  -4.1498   8.5617   0.1520   11.619  -9.2603   12.664   30.459   13.644   26.995   12.815 3.463871 18.71859 
1 1 1   -7   25    4 o   47.807   16.532   20.950   13.036   20.950   13.036   0.0000   0.0000   47.807   16.532  ?   ?       ?      ? 
1 1 1   -7   25    5 o   29.101   13.184  -1.4054   11.201  -1.4054   11.201   0.0000   0.0000   29.101   13.184  ?   ?       ?      ? 
1 1 1   -7   25    6 o   27.292   12.599  -4.0256   10.887  -4.0256   10.887   0.0000   0.0000   27.292   12.599  ?   ?       ?      ? 
1 1 1   -7   25    7 o   37.109   10.747   9.1833   8.6023   8.7352   11.858   9.6812   12.498   36.568   14.990   37.651   15.406 -1.082989 21.49489 
1 1 1   -7   25    8 o   27.335   8.9329  -4.4065   7.8036  -7.1164   11.008  -1.6688   11.064   25.899   12.189   28.771   13.062 -2.871838 17.86578 
1 1 1   -7   25    9 o   32.325   9.4853  -0.6738   8.1273 -17.1180   11.687   14.725   11.310   22.942   11.227   41.709   15.291 -18.76691 18.97054 
1 1 1   -7   25   10 o   36.336   10.618   7.6357   8.6368   13.144   12.655   2.8325   11.817   40.441   15.854   32.232   14.130 8.209007 21.23687 
1 1 1   -7   25   11 o   30.204   9.3122   1.8288   6.9838  -0.2878   8.8874   5.2459   11.292   26.987   12.022   33.421   14.224 -6.433657 18.62436 
1 1 1   -7   25   12 o   24.917   8.4021  -9.9372   7.8733  -6.5640   11.422 -12.9911   10.868   26.600   12.487   23.234   11.246 3.366726 16.80415 
1 1 1   -7   25   13 o   34.101   9.8312   7.3001   7.0651   8.1948   8.8667   5.7441   11.693   34.187   13.307   34.014   14.476 0.1729813 19.66242 
1 1 1   -7   25   14 o   32.046   9.6311   4.6310   7.0070   4.3487   8.6205   5.1808   12.029   30.270   12.628   33.821   14.545 -3.551367 19.26217 
1 1 1   -7   25   15 o   34.580   9.7776   8.1140   7.0084   10.436   8.7236   3.8871   11.770   36.464   13.421   32.695   14.223 3.769386 19.55515 
1 1 1   -7   25   16 o   34.905   9.4291   8.0631   7.0887   14.758   8.8195  -4.1558   11.915   41.625   13.594   28.185   13.071 13.44007 18.85830 
1 1 1   -7   25   17 o   35.882   9.9136   9.5230   7.1764   12.508   9.0030   4.3206   11.885   38.796   13.717   32.967   14.317 5.828613 19.82719 
1 1 1   -7   25   18 o   26.148   8.4749  -2.6226   6.7464  -0.6369   8.6127  -5.7756   10.853   26.202   11.742   26.094   12.224 0.1082382 16.94981 
1 1 1   -7   25   19 o   32.194   10.018   3.1473   8.4369   4.5047   12.526   2.0200   11.415   33.434   14.605   30.954   13.716 2.479435 20.03592 
1 1 1   -7   25   20 o   37.717   10.868   10.788   8.7467   9.7661   13.135   11.603   11.724   37.258   15.570   38.176   15.166 -0.9177284 21.73536 
1 1 1   -7   25   21 o   54.061   11.732   28.220   9.5280   34.073   13.904   23.038   13.083   59.485   16.611   48.637   16.571 10.84740 23.46365 
1 1 1   -7   25   22 o   35.426   10.476   7.0956   8.5562   14.326   12.884   1.3906   11.444   40.476   15.955   30.377   13.579 10.09846 20.95169 
1 1 1   -7   25   23 f   31.661   9.9621   1.3167   8.6616   8.4143   13.084  -4.2199   11.556   35.943   15.305   27.380   12.756 8.563353 19.92418 
1 1 1   -7   25   24 o   28.848   9.3891  -2.7245   8.3979   2.7071   12.777  -6.8559   11.143   32.069   14.341   25.627   12.123 6.442329 18.77825 
1 1 1   -7   25   25 o   34.967   10.334   3.3365   8.8413   19.725   13.715  -8.3155   11.565   44.508   16.741   25.427   12.120 19.08160 20.66737 
1 1 1   -7   25   26 o   39.114   11.066   13.474   8.8702   13.531   13.178   13.427   11.995   39.226   15.907   39.002   15.388 0.2249107 22.13212 
1 1 1   -7   25   27 o   28.998   9.3985  -3.2317   8.3476   6.8452   12.990 -10.3208   10.895   34.294   14.930   23.702   11.420 10.59223 18.79690 
1 1 1   -7   25   28 o   25.523   12.286 -10.2319   12.544 -10.2319   12.544   0.0000   0.0000   25.523   12.286  ?   ?       ?      ? 
1 1 1   -7   25   29 o   44.816   17.232   21.694   14.730   21.694   14.730   0.0000   0.0000   44.816   17.232  ?   ?       ?      ? 
1 1 1   -7   25   30 o   51.604   17.259   29.163   14.188   29.163   14.188   0.0000   0.0000   51.604   17.259  ?   ?       ?      ? 
1 1 1   -7   25   31 o   28.651   13.277  -1.2868   12.259  -1.2868   12.259   0.0000   0.0000   28.651   13.277  ?   ?       ?      ? 
1 1 1   -7   26    1 o   35.557   10.133   7.4042   8.6548   20.609   12.065  -6.5953   12.423   44.628   15.868   26.486   12.607 18.14116 20.26666 
1 1 1   -7   26    2 o   27.417   9.0166  -3.4385   8.2825   2.3700   11.495  -9.7099   11.944   30.019   13.500   24.815   11.956 5.203234 18.03315 
1 1 1   -7   26    3 o   33.880   10.169   6.7249   8.6689   14.844   11.923  -2.3794   12.626   39.268   15.390   28.493   13.295 10.77558 20.33715 
1 1 1   -7   26    4 o   23.751   8.1497 -12.0949   8.2768  -7.7719   11.211 -17.2734   12.271   24.771   11.842   22.731   11.200 2.040485 16.29947 
1 1 1   -7   26    5 o   44.051   11.410   19.344   9.2577   11.463   12.502   28.914   13.776   36.571   15.228   51.531   16.997 -14.96082 22.82098 
1 1 1   -7   26    6 o   31.249   9.8426   3.6461   8.4647   0.5430   11.779   6.9600   12.172   29.209   13.344   33.289   14.473 -4.079935 19.68530 
1 1 1   -7   26    7 o   25.518   8.5505  -6.2401   7.8873  -2.4984   11.559  -9.4999   10.789   27.450   12.779   23.587   11.364 3.863192 17.10090 
1 1 1   -7   26    8 o   28.126   9.1387  -0.8654   8.0249  -3.9552   11.500   2.0669   11.203   26.687   12.528   29.565   13.308 -2.878014 18.27740 
1 1 1   -6    0    1 o   32.588   6.9673   9.2048   2.8676   5.8472   4.0429   12.604   4.0681   24.341   11.187   40.834   8.3081 -0.000000 0.000000 
1 1 1   -6    0    2 o  458.880   8.2943  1430.01   51.501  1439.44   73.088  1420.71   72.581  460.385   11.732  457.375   11.728 -0.000000 0.000000 
1 1 1   -6    0    3 o  101.502   4.9739   70.829   6.7638   68.863   9.5614   72.798   9.5695  100.050   7.1355  102.953   6.9312 -0.000000 0.000000 
1 1 1   -6    0    4 o  461.754   8.3429  1448.03   52.128  1450.10   73.789  1445.97   73.651  462.083   11.801  461.424   11.796 -0.000000 0.000000 
1 1 1   -6    0    5 f   29.880   7.8180   8.0911   2.9397   8.6773   4.2501   7.5533   4.0705   31.192   11.050   28.567   11.062 -0.000000 0.000000 
1 1 1   -6    0    6 o  1511.08   23.613 15539.18  482.990 15521.77  682.480 15556.64  683.623  1510.23   33.384  1511.93   33.403 -0.000000 0.000000 
1 1 1   -6    0    7 o  834.618   13.537  4731.88  152.921  4726.91  216.171  4736.87  216.355  834.178   19.146  835.058   19.142 -0.000000 0.000000 
1 1 1   -6    0    8 o  1374.99   21.558 12860.35  401.226 12969.88  570.676 12753.29  564.217  1380.78   30.533  1369.20   30.443 -0.000000 0.000000 
1 1 1   -6    0    9 o  527.984   9.2390  1893.09   66.011  1907.28   93.805  1879.17   92.908  529.947   13.080  526.022   13.052 -0.000000 0.000000 
1 1 1   -6    0   10 o  167.350   5.3163  190.918   12.000  193.000   17.068  188.884   16.875  168.257   7.5200  166.443   7.5167 -0.000000 0.000000 
1 1 1   -6    0   11 o  1281.22   28.493 11165.37  494.157   0.0000   0.0000 11165.37  494.157  1281.22   28.493  1281.22   28.493 -0.000000 0.000000 
1 1 1   -6    0   12 o  123.509   7.3240  104.462   12.160   0.0000   0.0000  104.462   12.160  123.509   7.3240  123.509   7.3240 -0.000000 0.000000 
1 1 1   -6    0   13 o  873.454   14.120  5183.75  166.935  5207.33  236.841  5160.47  235.331  875.429   19.988  871.479   19.951 -0.000000 0.000000 
1 1 1   -6    0   14 o  599.068   10.225  2437.58   82.895  2443.69  117.470  2431.51  116.995  599.816   14.471  598.320   14.448 -0.000000 0.000000 
1 1 1   -6    0   15 o  570.970   9.8473  2214.26   76.088  2196.67  107.179  2232.14  108.036  568.680   13.927  573.261   13.926 -0.000000 0.000000 
1 1 1   -6    0   16 o  850.255   13.793  4912.48  158.729  4964.20  226.115  4862.23  222.872  854.668   19.546  845.842   19.467 -0.000000 0.000000 
1 1 1   -6    0   17 o  1404.63   22.048 13439.83  419.198 13534.94  595.899 13346.66  589.818  1409.54   31.232  1399.71   31.130 -0.000000 0.000000 
1 1 1   -6    0   18 o  1307.83   29.138 11650.07  515.823 11650.07  515.823   0.0000   0.0000  1307.83   29.138  1307.83   29.138 -0.000000 0.000000 
1 1 1   -6    0   19 o  1187.29   26.576  9599.15  427.105  9599.15  427.105   0.0000   0.0000  1187.29   26.576  1187.29   26.576 -0.000000 0.000000 
1 1 1   -6    0   20 o  630.469   10.684  2701.21   91.161  2717.67  129.497  2685.03  128.354  632.375   15.131  628.564   15.088 -0.000000 0.000000 
1 1 1   -6    0   21 o  122.851   5.5224  103.759   9.0792   95.103   12.869  112.337   12.811  117.607   8.1652  128.096   7.4376 -0.000000 0.000000 
1 1 1   -6    0   22 o  872.419   14.147  5176.63  167.006  5289.67  239.612  5069.84  232.896  881.678   20.078  863.160   19.935 -0.000000 0.000000 
1 1 1   -6    0   23 f  137.449   5.5218  129.322   10.207  127.745   14.522  130.863   14.350  136.595   7.9056  138.302   7.7113 -0.000000 0.000000 
1 1 1   -6    0   24 o  165.990   5.6071  188.122   12.542  184.019   17.839  192.134   17.638  164.167   8.0628  167.814   7.7943 -0.000000 0.000000 
1 1 1   -6    0   25 o  564.010   9.8081  2162.57   74.861  2163.71  106.028  2161.43  105.712  564.156   13.888  563.863   13.854 -0.000000 0.000000 
1 1 1   -6    0   26 o  683.645   11.462  3177.70  106.039  3229.28  151.639  3128.33  148.339  689.074   16.260  678.216   16.161 -0.000000 0.000000 
1 1 1   -6    0   27 o  119.128   5.7602   97.527   9.1921   98.008   13.273   97.085   12.742  119.382   8.2965  118.874   7.9930 -0.000000 0.000000 
1 1 1   -6    0   28 o  374.829   7.4361  954.773   37.700  966.566   53.798  943.394   52.846  377.105   10.546  372.553   10.486 -0.000000 0.000000 
1 1 1   -6    0   29 o  220.346   5.9764  330.594   17.783  329.444   25.335  331.711   24.967  219.957   8.5289  220.736   8.3741 -0.000000 0.000000 
1 1 1   -6    0   30 o  145.249   8.0450  144.314   15.724   0.0000   0.0000  144.314   15.724  145.249   8.0450  145.249   8.0450 -0.000000 0.000000 
1 1 1   -6    0   31 o  704.784   16.632  3376.08  158.651   0.0000   0.0000  3376.08  158.651  704.784   16.632  704.784   16.632 -0.000000 0.000000 
1 1 1   -6    0   32 o  1078.08   17.191  7909.03  250.860  7878.31  354.031  7940.01  355.514  1075.97   24.308  1080.18   24.315 -0.000000 0.000000 
1 1 1   -6    0   33 o  813.439   13.323  4496.92  146.669  4551.06  209.168  4444.54  205.716  818.257   18.886  808.621   18.796 -0.000000 0.000000 
1 1 1   -6    0   34 o  1791.27   27.986 21915.81  678.539 22129.69  966.461 21707.89  952.880  1799.86   39.668  1782.67   39.488 -0.000000 0.000000 
1 1 1   -6    0   35 o  231.529   6.1881  364.888   19.343  350.043   27.216  380.039   27.495  226.733   8.8890  236.324   8.6114 -0.000000 0.000000 
1 1 1   -6    0   36 o  953.451   21.748  6181.33  280.668  6181.33  280.668   0.0000   0.0000  953.451   21.748  953.451   21.748 -0.000000 0.000000 
1 1 1   -6    0   37 o  709.164   16.809  3417.38  161.334  3417.38  161.334   0.0000   0.0000  709.164   16.809  709.164   16.809 -0.000000 0.000000 
1 1 1   -6    0   38 o  1351.06   21.294 12414.94  389.086 11957.53  536.558 12922.20  565.047  1324.87   29.920  1377.26   30.308 -0.000000 0.000000 
1 1 1   -6    0   39 o  342.065   7.2085  795.267   33.346  798.074   47.397  792.516   46.924  342.660   10.228  341.469   10.161 -0.000000 0.000000 
1 1 1   -6    0   40 o  266.759   6.5515  482.725   23.581  519.969   34.347  449.516   32.433  276.508   9.1894  257.009   9.3403 -0.000000 0.000000 
1 1 1   -6    0   41 o  1207.07   19.143  9924.38  312.771  9925.21  442.644  9923.55  442.007  1207.12   27.090  1207.03   27.053 -0.000000 0.000000 
1 1 1   -6    0   42 o  363.172   7.4777  896.474   36.728  897.818   52.261  895.163   51.627  363.435   10.632  362.908   10.518 -0.000000 0.000000 
1 1 1   -6    0   43 o  475.885   8.7935  1537.97   56.599  1576.53   81.440  1501.96   78.716  481.655   12.496  470.116   12.375 -0.000000 0.000000 
1 1 1   -6    0   44 o  130.674   6.5611  117.147   11.463  123.302   16.848  111.842   15.640  133.882   9.3926  127.465   9.1635 -0.000000 0.000000 
1 1 1   -6    0   45 o  834.418   13.688  4737.10  154.580  4760.26  219.739  4714.42  217.496  836.430   19.410  832.406   19.305 -0.000000 0.000000 
1 1 1   -6    0   46 o  141.425   6.4445  137.122   12.209  139.747   17.902  134.840   16.695  142.656   9.3523  140.194   8.8691 -0.000000 0.000000 
1 1 1   -6    0   47 o  1124.51   25.369  8624.92  386.149   0.0000   0.0000  8624.92  386.149  1124.51   25.369  1124.51   25.369 -0.000000 0.000000 
1 1 1   -6    0   48 o  233.904   9.0643  372.636   28.633   0.0000   0.0000  372.636   28.633  233.904   9.0643  233.904   9.0643 -0.000000 0.000000 
1 1 1   -6    0   49 o  333.306   7.2447  755.417   32.646  765.448   46.732  745.856   45.624  335.465   10.302  331.146   10.189 -0.000000 0.000000 
1 1 1   -6    0   50 o  501.578   9.1672  1711.04   62.210  1716.53   88.617  1705.70   87.354  502.362   13.037  500.793   12.891 -0.000000 0.000000 
1 1 1   -6    0   51 o  110.217   7.2087   85.038   10.473   77.379   15.194   91.970   14.455  105.121   10.937  115.313   9.3938 -0.000000 0.000000 
1 1 1   -6    0   52 o  391.252   7.8719  1040.70   41.642  1064.48   59.989  1018.60   57.851  395.560   11.212  386.943   11.053 -0.000000 0.000000 
1 1 1   -6    0   53 o  242.376   9.4175  400.353   30.826  400.353   30.826   0.0000   0.0000  242.376   9.4175  242.376   9.4175 -0.000000 0.000000 
1 1 1   -6    0   54 o  434.814   8.3939  1286.69   49.373  1268.19   69.575  1305.45   70.077  431.653   11.915  437.976   11.827 -0.000000 0.000000 
1 1 1   -6    0   55 o  231.039   6.5008  362.819   20.248  389.606   29.552  339.115   27.799  239.098   9.1512  222.981   9.2358 -0.000000 0.000000 
1 1 1   -6    0   56 o  159.650   6.4622  173.665   13.835  190.924   20.459  159.122   18.780  166.995   9.1022  152.305   9.1754 -0.000000 0.000000 
1 1 1   -6    0   57 o   88.616   8.2751   56.252   9.3730   54.029   13.834   58.137   12.743   86.567   12.564   90.664   10.773 -0.000000 0.000000 
1 1 1   -6    0   58 o  545.044   9.7966  2024.62   72.241  2049.75  103.334  2000.60  101.032  548.341   13.927  541.747   13.782 -0.000000 0.000000 
1 1 1   -6    0   59 o  112.726   7.3807   88.183   11.031   95.011   16.164   82.232   15.090  116.911   10.392  108.541   10.484 -0.000000 0.000000 
1 1 1   -6    0   60 o  387.053   7.9073  1020.62   41.388  1026.26   59.192  1015.22   57.893  388.083   11.277  386.023   11.088 -0.000000 0.000000 
1 1 1   -6    0   61 o  178.074   6.7772  214.748   16.144  240.370   24.566  195.274   21.417  187.364   9.7354  168.784   9.4311 -0.000000 0.000000 
1 1 1   -6    0   62 o  301.581   10.124  620.097   41.271   0.0000   0.0000  620.097   41.271  301.581   10.124  301.581   10.124 -0.000000 0.000000 
1 1 1   -6    0   64 o  354.823   7.7516  855.110   37.098  909.207   54.902  809.657   50.325  365.102   11.120  344.544   10.802 -0.000000 0.000000 
1 1 1   -6    0   65 o  195.805   6.6098  262.112   17.432  266.442   25.274  258.184   24.074  197.325   9.5019  194.285   9.1908 -0.000000 0.000000 
1 1 1   -6    0   66 o  249.861   6.8395  426.550   23.064  411.843   32.772  440.982   32.464  245.529   9.8860  254.193   9.4541 -0.000000 0.000000 
1 1 1   -6    0   67 o  359.923   7.7664  880.476   37.720  943.469   55.573  826.666   51.363  371.828   11.051  348.019   10.915 -0.000000 0.000000 
1 1 1   -6    0   68 o  143.288   10.350  141.845   19.855  141.845   19.855   0.0000   0.0000  143.288   10.350  143.288   10.350 -0.000000 0.000000 
1 1 1   -6    0   69 o  280.720   10.252  538.351   38.882  538.351   38.882   0.0000   0.0000  280.720   10.252  280.720   10.252 -0.000000 0.000000 
1 1 1   -6    0   70 o  412.400   8.3225  1160.25   46.389  1206.68   67.239  1118.07   64.083  420.264   11.827  404.536   11.712 -0.000000 0.000000 
1 1 1   -6    0   71 o  206.611   6.8405  292.464   19.033  275.115   26.809  310.097   27.027  200.331   9.9309  212.891   9.4100 -0.000000 0.000000 
1 1 1   -6    0   72 o  137.220   7.2858  130.191   13.361  134.280   19.386  126.492   18.441  139.274   10.405  135.166   10.201 -0.000000 0.000000 
1 1 1   -6    0   73 o   73.142   11.495   41.490   9.9424   42.695   14.537   40.431   13.628   74.061   16.589   72.222   15.916 -0.000000 0.000000 
1 1 1   -6    0   74 o  118.606   8.0218   97.426   12.484  116.111   18.732   82.498   16.744  129.141   10.882  108.071   11.789 -0.000000 0.000000 
1 1 1   -6    0   75 o   45.747   14.248   20.482   9.5153   25.747   13.839   15.762   13.104   52.172   20.446   39.323   19.850 -0.000000 0.000000 
1 1 1   -6    0   76 o  255.009   7.0689  445.840   24.324  426.299   34.407  465.364   34.391  249.330   10.222  260.689   9.7663 -0.000000 0.000000 
1 1 1   -6    0   77 o  227.722   7.0341  356.571   21.573  336.798   30.759  375.714   30.266  221.356   10.305  234.089   9.5773 -0.000000 0.000000 
1 1 1   -6    0   78 o  116.021   11.175   94.646   17.195   0.0000   0.0000   94.646   17.195  116.021   11.175  116.021   11.175 -0.000000 0.000000 
1 1 1   -6    0   79 o  358.413   7.8958  882.953   38.249  891.189   55.009  875.243   53.220  359.972   11.302  356.854   11.029 -0.000000 0.000000 
1 1 1   -6    0   80 o  366.414   7.9836  924.782   39.548  909.835   56.173  939.473   55.689  363.395   11.432  369.433   11.147 -0.000000 0.000000 
1 1 1   -6    0   81 o  133.453   7.6030  124.277   13.477  140.902   19.601  109.372   18.559  142.228   10.294  124.679   11.192 -0.000000 0.000000 
1 1 1   -6    0   82 o  130.002   10.645  118.492   18.464  118.492   18.464   0.0000   0.0000  130.002   10.645  130.002   10.645 -0.000000 0.000000 
1 1 1   -6    0   83 o  181.282   10.052  228.072   24.521  228.072   24.521   0.0000   0.0000  181.282   10.052  181.282   10.052 -0.000000 0.000000 
1 1 1   -6    0   84 o   38.090   13.175   14.651   8.7793   21.387   12.250   7.5387   12.588   46.218   19.434   29.962   17.794 -0.000000 0.000000 
1 1 1   -6    0   85 o  124.423   7.8572  109.595   12.769  133.993   18.620   87.939   17.543  138.258   10.061  110.587   12.071 -0.000000 0.000000 
1 1 1   -6    0   86 o   41.773   12.567   16.599   8.2790   7.6386   11.254   27.168   12.222   29.075   17.031   54.470   18.484 -0.000000 0.000000 
1 1 1   -6    0   87 o  106.813   8.2830   82.402   11.622   82.222   16.372   82.585   16.501  106.712   11.677  106.913   11.751 -0.000000 0.000000 
1 1 1   -6    0   88 o  211.401   7.0616  311.875   20.059  348.011   29.092  279.123   27.696  223.337   9.6533  199.465   10.309 -0.000000 0.000000 
1 1 1   -6    0   89 o   98.229   9.0173   71.514   11.169   85.060   16.060   58.829   15.542  108.536   11.192   87.921   14.142 -0.000000 0.000000 
1 1 1   -6    0   90 o   36.435   18.574   14.692   11.539   0.0000   0.0000   14.692   11.539   36.435   18.574   36.435   18.574 -0.000000 0.000000 
1 1 1   -6    0   91 o   64.516   17.619   35.982   13.317   0.0000   0.0000   35.982   13.317   64.516   17.619   64.516   17.619 -0.000000 0.000000 
1 1 1   -6    0   92 o   41.345   19.421   18.897   12.221   0.0000   0.0000   18.897   12.221   41.345   19.421   41.345   19.421 -0.000000 0.000000 
1 1 1   -6    0   93 o   53.391   19.247   27.842   12.758   0.0000   0.0000   27.842   12.758   53.391   19.247   53.391   19.247 -0.000000 0.000000 
1 1 1   -6    1    1 o  450.138   7.0615  1377.44   40.720  1385.36   50.082  1361.99   69.947  452.093   8.1747  448.184   11.517 3.908783 14.12308 
1 1 1   -6    1    2 o  760.965   10.165  3964.16   91.519  4003.08  106.390  3853.36  179.480  768.423   10.217  753.507   17.577 14.91626 20.33071 
1 1 1   -6    1    3 o  531.796   6.5325  1916.99   47.075  1930.77   66.845  1903.43   66.308  533.692   9.2426  529.899   9.2340 3.792725 13.06491 
1 1 1   -6    1    4 o  766.781   8.8522  3985.29   91.960  4072.47  131.826  3902.64  128.347  774.945   12.553  758.618   12.485 16.32721 17.70441 
1 1 1   -6    1    5 o  442.316   5.7074  1326.06   34.210  1332.00   48.486  1320.18   48.274  443.302   8.0712  441.331   8.0718 1.970245 11.41477 
1 1 1   -6    1    6 o  363.794   5.0381  896.668   24.833  918.602   35.485  875.617   34.764  368.152   7.1128  359.435   7.1371 8.717255 10.07624 
1 1 1   -6    1    7 o  656.455   7.7527  2921.57   68.964  2896.20   96.998  2947.50   98.071  653.574   10.952  659.336   10.976 -5.762512 15.50544 
1 1 1   -6    1    8 o  1600.08   17.619 17390.99  381.822 17918.33  551.138 16904.30  529.470  1623.35   25.053  1576.81   24.779 46.54272 35.23709 
1 1 1   -6    1    9 o  352.530   6.0398  844.164   27.287  847.834   33.560  837.006   46.869  353.686   7.0021  351.373   9.8432 2.313507 12.07967 
1 1 1   -6    1   10 o  671.292   9.6648  3039.87   82.633  3008.02  100.641  3105.76  144.757  666.049   11.150  676.535   15.789 -10.48639 19.32963 
1 1 1   -6    1   11 o  841.507   11.794  4776.12  126.141  4892.42  222.015  4720.68  153.286  848.786   19.302  834.229   13.559 14.55707 23.58852 
1 1 1   -6    1   12 o  951.543   13.203  6168.76  160.885  6085.18  276.346  6211.61  197.876  946.308   21.550  956.777   15.262 -10.46851 26.40643 
1 1 1   -6    1   13 o  720.854   8.4124  3524.09   82.177  3519.98  116.119  3528.21  116.313  720.433   11.894  721.274   11.900 -0.8412476 16.82482 
1 1 1   -6    1   14 o  1085.43   12.162  7998.63  178.885  8059.69  254.238  7938.77  251.745  1089.53   17.219  1081.33   17.180 8.199097 24.32391 
1 1 1   -6    1   15 f  1263.45   14.040 10846.53  240.375 10759.39  338.079 10935.61  341.835  1258.33   19.826  1268.58   19.885 -10.25195 28.07983 
1 1 1   -6    1   16 o  346.776   4.9424  815.108   23.226  812.824   32.792  817.407   32.901  346.289   6.9879  347.264   6.9914 -0.9747314 9.884868 
1 1 1   -6    1   17 o  961.592   13.326  6250.98  163.055  6379.97  286.052  6188.90  198.454  968.415   21.797  954.769   15.338 13.64551 26.65298 
1 1 1   -6    1   18 o  505.593   8.9790  1734.46   61.516  1759.72   87.465  1709.73   86.535  509.237   12.674  501.949   12.722 7.288391 17.95793 
1 1 1   -6    1   19 o  308.603   5.7156  637.706   22.398  623.317   27.124  668.546   39.709  303.235   6.6007  313.972   9.3330 -10.73734 11.43126 
1 1 1   -6    1   20 o  270.721   4.4018  496.791   16.148  492.606   22.757  501.036   22.918  269.572   6.2295  271.869   6.2206 -2.297089 8.803597 
1 1 1   -6    1   21 o  420.630   5.5874  1199.57   31.846  1181.41   44.697  1218.30   45.384  417.397   7.9022  423.863   7.9013 -6.466003 11.17474 
1 1 1   -6    1   22 o  622.730   7.4733  2631.51   63.064  2653.00   89.604  2610.42   88.773  625.249   10.575  620.212   10.562 5.037292 14.94655 
1 1 1   -6    1   23 o  524.219   6.5343  1864.30   46.418  1850.01   65.390  1878.81   65.902  522.195   9.2405  526.243   9.2413 -4.047974 13.06860 
1 1 1   -6    1   24 o  181.746   3.9866  223.890   9.8165  217.512   13.799  230.426   13.968  179.125   5.6846  184.367   5.5907 -5.242203 7.973134 
1 1 1   -6    1   25 o  735.816   8.6009  3677.12   85.762  3671.48  121.186  3682.77  121.385  735.251   12.163  736.381   12.164 -1.130127 17.20173 
1 1 1   -6    1   26 o  766.114   8.9112  3986.51   92.513  4012.64  131.319  3960.77  130.353  768.605   12.608  763.622   12.597 4.982544 17.82240 
1 1 1   -6    1   27 o  316.327   4.7844  678.456   20.509  678.879   29.011  678.033   28.997  316.426   6.7657  316.228   6.7665 0.1973267 9.568748 
1 1 1   -6    1   28 o  1010.10   11.423  6937.17  156.345  7009.08  222.587  6867.13  219.652  1015.26   16.179  1004.94   16.129 10.32239 22.84506 
1 1 1   -6    1   29 o  636.474   9.3557  2764.51   76.344  2708.19  130.585  2793.76   94.100  631.294   15.264  641.654   10.822 -10.35968 18.71140 
1 1 1   -6    1   30 o  1213.72   19.243 10064.44  316.497 10048.01  447.351 10080.92  447.839  1212.72   27.221  1214.71   27.206 -1.989624 38.48568 
1 1 1   -6    1   31 o  637.326   9.3697  2781.05   76.819  2835.55   95.255  2679.68  129.919  646.519   10.872  628.133   15.263 18.38684 18.73944 
1 1 1   -6    1   32 o  805.172   9.3125  4399.27  101.604  4447.27  144.680  4352.56  142.719  809.503   13.189  800.842   13.151 8.661804 18.62502 
1 1 1   -6    1   33 o  382.485   5.3491  991.689   27.725  982.888   39.035  1000.65   39.385  380.773   7.5649  384.198   7.5647 -3.424835 10.69828 
1 1 1   -6    1   34 o  1132.19   12.700  8705.33  194.796  8528.69  271.731  8892.08  279.397  1120.40   17.897  1143.99   18.022 -23.59790 25.39919 
1 1 1   -6    1   35 o  614.253   7.4358  2558.75   61.894  2540.59   87.125  2577.24   87.943  612.054   10.504  616.451   10.527 -4.397278 14.87167 
1 1 1   -6    1   36 o  352.066   7.2875  840.348   34.760  867.016   49.588  814.586   48.739  357.558   10.234  346.574   10.378 10.98407 14.57492 
1 1 1   -6    1   37 o  389.940   6.6522  1027.28   33.084  1042.13   57.701  1020.01   40.381  391.983   10.862  387.898   7.6821 4.085602 13.30447 
1 1 1   -6    1   38 o  727.670   8.5547  3590.99   84.340  3521.29  117.869  3664.11  120.733  720.440   12.073  734.901   12.123 -14.46130 17.10935 
1 1 1   -6    1   39 o  735.099   8.6452  3666.36   86.119  3658.07  121.574  3674.70  122.009  734.266   12.218  735.931   12.234 -1.665161 17.29033 
1 1 1   -6    1   40 o  881.326   10.130  5273.34  120.986  5257.19  170.671  5289.66  171.531  879.971   14.312  882.681   14.340 -2.709717 20.26041 
1 1 1   -6    1   41 o  997.570   11.313  6760.60  152.925  6793.12  216.987  6728.50  215.558  999.951   16.013  995.188   15.984 4.763306 22.62505 
1 1 1   -6    1   42 o  410.613   5.6520  1142.93   31.446  1164.96   44.880  1121.68   44.072  414.500   7.9901  406.727   7.9961 7.773132 11.30391 
1 1 1   -6    1   43 o  788.999   9.1899  4226.40   98.256  4254.77  139.555  4198.51  138.364  791.623   13.009  786.375   12.984 5.248535 18.37987 
1 1 1   -6    1   44 o  451.265   5.9968  1381.06   36.672  1391.19   52.000  1371.05   51.723  452.910   8.4725  449.619   8.4891 3.291229 11.99363 
1 1 1   -6    1   45 o  204.381   4.4273  283.071   12.250  300.516   17.516  266.367   17.140  210.545   6.1391  198.217   6.3808 12.32718 8.854556 
1 1 1   -6    1   46 o  945.047   13.229  6084.02  159.813  6078.93  276.302  6086.57  195.908  943.940   21.600  946.154   15.279 -2.213562 26.45804 
1 1 1   -6    1   47 o  682.804   9.9992  3186.46   87.690  3114.37  149.339  3224.39  108.332  676.519   16.290  689.089   11.601 -12.57031 19.99844 
1 1 1   -6    1   48 o  253.256   5.6913  443.744   18.535  464.607   23.154  406.518   30.929  261.759   6.5274  244.753   9.3251 17.00642 11.38269 
1 1 1   -6    1   49 o  490.528   6.3657  1632.83   42.313  1619.84   59.516  1646.11   60.170  488.557   8.9895  492.499   9.0155 -3.942108 12.73147 
1 1 1   -6    1   50 o  473.646   6.2386  1522.43   40.040  1546.72   56.983  1498.74   56.273  477.379   8.8085  469.913   8.8369 7.465485 12.47715 
1 1 1   -6    1   51 o  188.158   4.4755  240.094   11.410  235.137   16.062  245.144   16.213  186.197   6.3657  190.119   6.2928 -3.922684 8.951082 
1 1 1   -6    1   52 o  601.946   9.1090  2453.75   69.680  2431.04   84.726  2501.21  122.485  598.117   10.453  605.774   14.921 -7.656616 18.21805 
1 1 1   -6    1   53 o  562.238   10.032  2151.48   76.381  2071.83  105.604  2238.86  110.607  551.354   14.134  573.123   14.241 -21.76910 20.06462 
1 1 1   -6    1   54 o  420.843   7.1410  1206.30   38.400  1196.94   66.343  1211.01   47.090  419.383   11.673  422.303   8.2284 -2.919983 14.28202 
1 1 1   -6    1   55 o  357.152   5.3143  865.628   25.715  891.414   36.771  840.947   35.974  362.358   7.4883  351.946   7.5428 10.41174 10.62864 
1 1 1   -6    1   56 o  113.630   4.9134   87.650   7.5656   88.132   10.673   87.162   10.726  113.946   6.9119  113.315   6.9852 0.6311646 9.826831 
1 1 1   -6    1   57 o  141.406   5.6969  139.655   10.332  149.015   12.951  123.267   17.137  148.174   6.4499  134.639   9.3924 13.53520 11.39381 
1 1 1   -6    1   58 o  255.853   6.6608  445.514   23.080  435.256   32.967  455.375   32.322  252.942   9.6179  258.765   9.2174 -5.822342 13.32158 
1 1 1   -6    1   59 o  368.667   6.7069  931.935   31.634  902.786   54.169  947.022   38.970  363.996   10.982  373.339   7.7027 -9.342377 13.41374 
1 1 1   -6    1   60 o  503.380   6.5528  1724.10   44.698  1707.97   62.849  1740.60   63.581  501.001   9.2572  505.759   9.2769 -4.757477 13.10561 
1 1 1   -6    1   61 o  343.734   5.2747  802.912   24.569  798.966   34.634  806.910   34.860  342.884   7.4536  344.583   7.4654 -1.698944 10.54932 
1 1 1   -6    1   62 o  360.963   6.5853  882.326   30.424  901.846   52.764  872.604   37.237  363.654   10.707  358.271   7.6697 5.382721 13.17059 
1 1 1   -6    1   63 o  215.010   5.7759  322.777   15.967  286.517   26.389  343.720   20.055  205.083   9.4952  224.938   6.5791 -19.85564 11.55180 
1 1 1   -6    1   64 o  291.510   6.0864  583.982   22.817  596.517   28.303  560.711   38.564  296.245   7.0500  286.775   9.9234 9.470428 12.17277 
1 1 1   -6    1   65 o  187.798   4.7025  239.685   11.967  241.375   16.884  237.979   16.963  188.467   6.6109  187.130   6.6894 1.337234 9.404914 
1 1 1   -6    1   66 o  385.237   6.8676  1012.31   33.908  1012.10   58.314  1012.42   41.679  384.792   11.183  385.683   7.9745 -0.8905640 13.73519 
1 1 1   -6    1   67 o  409.441   7.2127  1144.94   37.614  1145.46   45.953  1143.86   65.477  410.123   8.2683  408.760   11.821 1.363739 14.42542 
1 1 1   -6    1   68 o  192.976   6.0201  259.172   14.672  269.624   17.978  238.327   25.390  199.137   6.6619  186.816   10.029 12.32150 12.04013 
1 1 1   -6    1   69 o  185.376   10.001  234.744   25.124  234.744   25.124   0.0000   0.0000  185.376   10.001  ?   ?       ?      ? 
1 1 1   -6    1   70 o  350.447   5.4178  836.272   25.728  843.319   36.557  829.357   36.216  351.908   7.6659  348.985   7.6578 2.923523 10.83551 
1 1 1   -6    1   71 o  207.008   4.7970  291.560   13.457  291.736   18.991  291.383   19.071  207.072   6.7676  206.943   6.8004 0.1293182 9.594007 
1 1 1   -6    1   72 o   65.266   7.9866   30.279   6.7410   38.679   9.5328   21.876   9.5337   75.240   9.3495   55.293   12.951 19.94655 15.97312 
1 1 1   -6    1   73 o  158.510   4.9298  171.159   10.583  177.849   14.972  164.478   14.962  161.623   6.8359  155.398   7.1050 6.224152 9.859509 
1 1 1   -6    1   74 o  308.565   5.1929  649.035   21.714  647.187   30.627  650.903   30.790  308.126   7.3348  309.004   7.3531 -0.8785706 10.38588 
1 1 1   -6    1   75 o  110.051   5.5919   82.688   8.3304   77.630   11.682   87.920   11.882  106.608   8.0863  113.494   7.7257 -6.885208 11.18373 
1 1 1   -6    1   76 o  213.030   4.8578  309.425   14.016  323.854   19.977  295.435   19.669  217.941   6.7639  208.118   6.9743 9.822998 9.715524 
1 1 1   -6    1   77 o  194.592   5.9005  259.556   14.747  258.516   25.217  260.096   18.181  193.965   9.5936  195.220   6.8723 -1.254532 11.80107 
1 1 1   -6    1   78 o  171.244   5.9540  199.298   13.083  195.559   16.031  206.753   22.637  169.180   6.9924  173.307   9.6389 -4.127106 11.90807 
1 1 1   -6    1   79 o  121.557   6.5037  100.329   10.165   97.370   12.454  106.233   17.591  119.198   7.7102  123.915   10.476 -4.716599 13.00738 
1 1 1   -6    1   80 o  139.727   5.2201  133.591   9.8070  157.453   14.249  112.117   13.518  151.656   6.9335  127.799   7.8054 23.85771 10.44023 
1 1 1   -6    1   81 o  146.806   5.0934  147.845   10.130  147.201   14.129  148.526   14.530  146.499   7.1170  147.113   7.2884 -0.6142731 10.18689 
1 1 1   -6    1   82 o   75.561   8.4439   35.257   7.8958   24.423   9.4072   61.085   14.525   57.833   12.377   93.290   11.489 -35.45683 16.88786 
1 1 1   -6    1   83 o  143.758   6.1352  139.318   11.357  155.885   19.815  131.213   13.859  149.510   9.7800  138.006   7.4105 11.50322 12.27045 
1 1 1   -6    1   84 o  138.580   5.0940  132.331   9.5544  141.732   13.708  123.449   13.324  143.412   7.0537  133.747   7.3512 9.665390 10.18801 
1 1 1   -6    1   85 o   57.868   8.1228   24.506   6.2213   17.011   8.6775   32.434   8.9242   47.761   13.041   67.975   9.6881 -20.21408 16.24553 
1 1 1   -6    1   86 o  152.402   4.9518  160.566   10.221  153.490   14.272  168.017   14.645  148.926   7.0720  155.878   6.9331 -6.951767 9.903549 
1 1 1   -6    1   87 o  106.242   5.5626   78.728   7.9980   73.580   11.221   84.044   11.403  102.632   8.0682  109.851   7.6599 -7.218033 11.12519 
1 1 1   -6    1   88 o   63.112   7.6507   28.992   6.4080   27.793   8.9895   30.231   9.1370   61.245   11.246   64.979   10.376 -3.733948 15.30142 
1 1 1   -6    1   89 o   65.578   9.0450   32.136   7.4818   33.093   12.819   31.641   9.2142   64.799   14.908   66.356   10.247 -1.556824 18.08995 
1 1 1   -6    1   90 o   65.200   8.9774   31.548   7.3859   34.193   12.744   30.211   9.0633   65.749   14.675   64.651   10.345 1.098282 17.95487 
1 1 1   -6    1   91 o   74.526   9.5344   42.958   9.3193   50.736   13.191   35.207   13.168   82.797   11.756   66.255   15.014 16.54240 19.06878 
1 1 1   -6    1   92 o  134.846   7.2154  132.324   13.181  135.807   18.639  128.839   18.643  136.754   10.058  132.939   10.349 3.815353 14.43085 
1 1 1   -6    1   93 o   70.721   14.664   40.270   13.593   40.270   13.593   0.0000   0.0000   70.721   14.664  ?   ?       ?      ? 
1 1 1   -6    1   94 o   74.043   14.431   44.131   13.959   44.131   13.959   0.0000   0.0000   74.043   14.431  ?   ?       ?      ? 
1 1 1   -6    2    1 o  1850.73   28.759 23320.22  721.275   0.0000   0.0000 23320.22  721.275  ?   ?   1850.73   28.759      ?      ? 
1 1 1   -6    2    2 o  883.344   12.302  5276.97  138.600  5353.46  241.710  5239.50  169.176  887.838   20.090  878.850   14.205 8.987366 24.60466 
1 1 1   -6    2    3 o  678.909   9.7578  3147.44   85.146  3194.04  105.338  3059.60  144.620  686.329   11.326  671.489   15.893 14.84033 19.51567 
1 1 1   -6    2    4 o  862.010   12.061  5107.94  134.300  5267.90  167.852  4823.35  223.890  881.239   14.056  842.781   19.604 38.45819 24.12187 
1 1 1   -6    2    5 o  1827.10   24.664 22983.79  580.362 23458.95  720.985 22109.22  978.136  1856.26   28.662  1797.95   40.146 58.31335 49.32729 
1 1 1   -6    2    6 f  217.469   4.7991  322.095   13.429  325.595   16.615  315.503   22.804  219.191   5.5938  215.748   7.7997 3.442383 9.598249 
1 1 1   -6    2    7 o  2072.90   32.140 29294.68  902.827 29294.68  902.827   0.0000   0.0000  2072.90   32.140  ?   ?       ?      ? 
1 1 1   -6    2    8 o  1111.19   12.428  8378.64  187.102  8542.95  267.961  8222.31  261.367  1121.81   17.627  1100.56   17.525 21.24194 24.85595 
1 1 1   -6    2    9 o  1128.00   12.603  8638.30  192.647  8618.99  272.104  8657.70  272.785  1126.74   17.821  1129.27   17.826 -2.527222 25.20578 
1 1 1   -6    2   10 o   90.730   3.6634   55.811   4.4932   50.832   6.2986   60.970   6.4115   86.607   5.3667   94.853   4.9880 -8.245438 7.326793 
1 1 1   -6    2   11 o  1056.73   14.538  7522.20  194.846  7772.19  345.004  7405.12  236.106  1069.00   23.816  1044.45   16.681 24.55115 29.07672 
1 1 1   -6    2   12 o  572.522   8.5183  2194.29   61.741  2303.66  110.130  2144.16   74.560  582.693   13.947  562.351   9.7840 20.34137 17.03668 
1 1 1   -6    2   13 o  502.487   6.2958  1711.52   42.867  1736.82   61.080  1686.96   60.176  506.146   8.9051  498.828   8.9020 7.317566 12.59152 
1 1 1   -6    2   14 o  479.783   6.0910  1560.59   39.602  1562.28   56.035  1558.92   55.976  480.041   8.6139  479.525   8.6141 0.5162048 12.18199 
1 1 1   -6    2   15 o  664.977   7.8626  2999.21   70.852  2988.31  100.030  3010.18  100.372  663.765   11.121  666.189   11.118 -2.424805 15.72522 
1 1 1   -6    2   16 o  248.625   5.1427  418.121   16.394  421.835   28.252  416.236   20.130  249.436   8.3581  247.813   5.9943 1.623489 10.28541 
1 1 1   -6    2   17 o  388.020   7.5032  1020.69   39.438  1001.45   54.844  1041.30   56.751  384.238   10.533  391.801   10.689 -7.562988 15.00638 
1 1 1   -6    2   18 o  1231.59   16.864 10324.29  264.760 10290.96  323.392 10392.06  461.075  1229.87   19.404  1233.32   27.588 -3.446045 33.72810 
1 1 1   -6    2   19 o  264.464   4.3666  474.004   15.647  486.129   22.305  462.257   21.955  267.794   6.1465  261.135   6.2041 6.659027 8.733274 
1 1 1   -6    2   20 o  172.838   3.9075  202.470   9.1493  195.668   12.864  209.433   13.015  169.900   5.5873  175.776   5.4640 -5.876205 7.814942 
1 1 1   -6    2   21 o  730.675   8.5404  3624.87   84.563  3641.02  119.903  3608.88  119.281  732.294   12.083  729.056   12.073 3.237854 17.08083 
1 1 1   -6    2   22 o  639.054   7.6359  2771.95   66.126  2783.97   93.728  2760.03   93.307  640.433   10.800  637.674   10.798 2.759521 15.27170 
1 1 1   -6    2   23 o  264.741   4.4028  475.178   15.795  474.167   22.311  476.194   22.366  264.458   6.2255  265.023   6.2276 -0.5646667 8.805636 
1 1 1   -6    2   24 o  559.773   6.8765  2126.08   52.160  2150.54   74.227  2102.22   73.313  562.953   9.7298  556.593   9.7199 6.360046 13.75303 
1 1 1   -6    2   25 o  966.028   10.964  6346.54  143.523  6385.45  203.750  6308.21  202.205  968.964   15.517  963.091   15.493 5.873230 21.92751 
1 1 1   -6    2   26 o  579.779   7.0758  2280.89   55.592  2299.70   78.961  2262.41   78.280  582.149   10.009  577.410   10.004 4.738770 14.15160 
1 1 1   -6    2   27 o  894.549   10.224  5437.68  123.938  5443.52  175.352  5431.84  175.197  895.029   14.457  894.068   14.460 0.9612427 20.44782 
1 1 1   -6    2   28 o  463.304   6.0141  1455.12   37.751  1489.83   54.042  1422.05   52.757  468.697   8.5086  457.912   8.5018 10.78503 12.02819 
1 1 1   -6    2   29 o  340.058   6.1205  775.650   26.476  808.881   46.719  759.929   32.135  345.317   9.9837  334.800   7.0828 10.51691 12.24096 
1 1 1   -6    2   30 o  221.183   5.1461  333.022   14.654  336.077   18.136  327.273   24.874  222.670   6.0103  219.696   8.3549 2.974228 10.29217 
1 1 1   -6    2   31 o  224.651   4.2947  342.083   13.074  344.357   18.468  339.799   18.512  225.399   6.0461  223.902   6.1010 1.497269 8.589389 
1 1 1   -6    2   32 o  621.677   7.4992  2621.29   63.177  2631.94   89.486  2610.70   89.208  622.937   10.601  620.417   10.610 2.519897 14.99843 
1 1 1   -6    2   33 o  253.357   4.4571  435.008   15.301  430.834   21.437  439.342   21.846  252.119   6.2743  254.595   6.3321 -2.476257 8.914199 
1 1 1   -6    2   34 o  594.695   7.2521  2398.18   58.440  2375.86   82.101  2421.11   83.204  591.891   10.236  597.499   10.276 -5.607422 14.50410 
1 1 1   -6    2   35 f  363.286   6.4984  910.917   30.225  946.736   37.495  844.445   51.078  373.713   7.4037  352.860   10.682 20.85352 12.99689 
1 1 1   -6    2   36 o  743.286   10.662  3752.51  101.340  3744.69  175.079  3756.46  124.274  742.467   17.401  744.106   12.324 -1.638550 21.32332 
1 1 1   -6    2   37 f  250.730   5.4320  414.609   17.397  460.375   30.864  393.295   21.062  260.577   8.7403  240.882   6.4524 19.69473 10.86398 
1 1 1   -6    2   38 o  552.291   6.8723  2066.84   51.414  2134.69   73.952  2003.36   71.529  561.056   9.7266  543.525   9.7113 17.53162 13.74467 
1 1 1   -6    2   39 o  815.275   9.4410  4510.69  104.299  4561.35  148.499  4461.36  146.523  819.791   13.367  810.759   13.336 9.032104 18.88208 
1 1 1   -6    2   41 o  490.692   6.3221  1632.85   42.039  1634.92   59.469  1630.79   59.436  491.003   8.9376  490.381   8.9440 0.6215820 12.64419 
1 1 1   -6    2   42 o  541.267   6.7907  1987.20   49.809  1983.70   70.356  1990.71   70.525  540.789   9.6004  541.744   9.6065 -0.9554443 13.58131 
1 1 1   -6    2   43 o  359.501   5.2687  876.194   25.666  865.240   36.054  887.449   36.546  357.224   7.4478  361.779   7.4544 -4.555237 10.53749 
1 1 1   -6    2   44 o  922.804   10.563  5787.33  132.089  5805.01  187.090  5769.77  186.515  924.208   14.938  921.399   14.938 2.809509 21.12544 
1 1 1   -6    2   45 o  1100.96   12.430  8248.15  185.437  8325.30  263.986  8172.99  260.544  1106.04   17.613  1095.89   17.544 10.14502 24.85976 
1 1 1   -6    2   46 o  305.350   6.0238  638.386   23.643  613.473   40.028  651.734   29.299  300.675   9.8239  310.024   6.9740 -9.349091 12.04760 
1 1 1   -6    2   47 o  467.385   6.1656  1481.74   39.047  1508.40   55.667  1455.92   54.784  471.523   8.7120  463.247   8.7269 8.276398 12.33115 
1 1 1   -6    2   48 o  706.664   10.312  3442.00   94.060  3552.56  117.502  3244.77  156.941  723.124   11.991  690.204   16.779 32.91956 20.62349 
1 1 1   -6    2   49 o  431.793   5.8731  1265.09   34.365  1264.09   48.453  1266.10   48.748  431.623   8.2839  431.962   8.3277 -0.3395996 11.74617 
1 1 1   -6    2   50 o  530.686   6.7493  1911.63   48.531  1951.35   69.314  1873.44   67.971  536.092   9.5412  525.280   9.5488 10.81183 13.49866 
1 1 1   -6    2   51 o  577.924   8.8550  2282.57   65.382  2304.16   80.286  2240.08  112.656  582.387   10.173  573.461   14.497 8.925781 17.70993 
1 1 1   -6    2   52 o  692.631   10.212  3261.80   89.958  3247.37  109.604  3291.59  157.465  690.975   11.705  694.287   16.736 -3.312195 20.42356 
1 1 1   -6    2   53 o  351.941   6.3908  827.315   28.713  800.899   34.882  882.829   50.567  343.510   7.4934  360.372   10.355 -16.86160 12.78155 
1 1 1   -6    2   54 o  576.112   8.8132  2256.50   64.835  2272.63  112.556  2248.49   79.315  577.156   14.391  575.069   10.178 2.087280 17.62638 
1 1 1   -6    2   55 o  253.760   4.7205  437.013   16.232  433.079   22.913  440.978   23.000  252.613   6.6932  254.908   6.6583 -2.295700 9.440969 
1 1 1   -6    2   56 o  371.271   5.4339  936.111   27.339  933.252   38.538  939.008   38.789  370.702   7.6714  371.840   7.6978 -1.138580 10.86773 
1 1 1   -6    2   57 o  420.604   5.8234  1201.72   33.187  1178.91   46.468  1225.47   47.413  416.532   8.2323  424.677   8.2387 -8.144775 11.64676 
1 1 1   -6    2   58 o  254.652   4.7324  440.225   16.330  433.037   22.978  447.561   23.212  252.550   6.7140  256.754   6.6712 -4.203659 9.464848 
1 1 1   -6    2   59 o  272.630   4.8306  504.749   17.847  507.650   25.232  501.846   25.245  273.416   6.8101  271.845   6.8529 1.571198 9.661276 
1 1 1   -6    2   60 o  324.069   5.1291  713.375   22.523  727.457   32.077  699.680   31.631  327.226   7.2337  320.913   7.2736 6.312897 10.25825 
1 1 1   -6    2   61 o  352.552   6.4755  835.709   29.127  876.439   51.146  816.158   35.434  358.576   10.526  346.529   7.5458 12.04639 12.95090 
1 1 1   -6    2   62 o   86.049   6.8717   48.891   7.7052   56.011   13.155   45.172   9.5067   90.621   10.712   81.476   8.6102 9.144325 13.74348 
1 1 1   -6    2   63 o  267.004   4.8602  483.961   17.575  508.157   25.270  461.294   24.458  273.467   6.8190  260.541   6.9274 12.92657 9.720433 
1 1 1   -6    2   64 o  299.539   6.1121  614.213   23.560  621.745   29.172  600.087   39.951  302.426   7.1181  296.653   9.9379 5.773621 12.22415 
1 1 1   -6    2   65 o  146.653   4.8815  146.211   9.6932  146.506   13.444  145.891   13.989  146.817   6.7572  146.488   7.0468 0.3283081 9.763075 
1 1 1   -6    2   66 o  265.019   4.9026  477.475   17.605  473.395   24.692  481.694   25.108  263.871   6.9053  266.167   6.9612 -2.295654 9.805126 
1 1 1   -6    2   67 o  367.076   6.8354  923.834   31.918  932.430   39.035  906.493   55.444  370.118   7.7828  364.035   11.239 6.083282 13.67075 
1 1 1   -6    2   68 o  203.147   4.7674  280.582   13.119  291.762   18.686  269.714   18.423  207.146   6.6567  199.147   6.8266 7.998734 9.534876 
1 1 1   -6    2   69 o  184.505   6.0906  230.674   14.238  236.046   25.190  228.152   17.260  185.877   10.001  183.133   6.9548 2.744492 12.18122 
1 1 1   -6    2   70 o  131.255   7.3746  117.283   13.117   0.0000   0.0000  117.283   13.117  ?   ?   131.255   7.3746      ?      ? 
1 1 1   -6    2   71 o  182.432   6.8858  225.849   16.962  206.642   22.876  249.304   25.280  173.883   9.7081  190.981   9.7678 -17.09781 13.77159 
1 1 1   -6    2   72 o  184.995   6.0740  237.035   14.161  243.397   17.254  223.908   24.785  189.111   6.7328  180.879   10.112 8.232025 12.14798 
1 1 1   -6    2   73 o  167.331   4.8870  190.657   11.081  189.057   15.551  192.307   15.793  166.621   6.8871  168.041   6.9354 -1.419678 9.774018 
1 1 1   -6    2   74 o  259.136   4.9592  457.441   17.412  446.604   24.394  468.698   24.861  256.004   7.0316  262.268   6.9951 -6.263672 9.918386 
1 1 1   -6    2   75 o  313.536   5.2432  670.495   22.273  654.890   31.164  686.791   31.845  309.805   7.4231  317.266   7.4068 -7.460754 10.48634 
1 1 1   -6    2   76 o  161.106   5.8961  175.619   12.303  184.305   20.930  171.033   15.209  163.898   9.4234  158.314   7.0891 5.583130 11.79219 
1 1 1   -6    2   77 o  284.164   5.0826  551.598   19.571  550.137   27.538  553.090   27.819  283.793   7.1607  284.536   7.2149 -0.7433167 10.16510 
1 1 1   -6    2   78 o  113.926   5.4763   88.983   8.4398   90.997   11.679   86.781   12.210  115.318   7.4735  112.534   8.0067 2.784935 10.95267 
1 1 1   -6    2   79 o  111.458   6.5289   78.163   9.3488   63.521   11.241  111.018   16.838   96.116   8.6300  126.800   9.7994 -30.68384 13.05771 
1 1 1   -6    2   80 o  213.056   4.8978  311.052   14.126  327.764   19.988  294.378   19.965  218.836   6.7403  207.275   7.1079 11.56061 9.795579 
1 1 1   -6    2   81 f  145.261   6.2584  144.686   11.483  142.788   13.884  148.795   20.429  144.261   7.1018  146.260   10.307 -1.999390 12.51688 
1 1 1   -6    2   82 o  102.871   5.6024   72.872   7.8031   68.762   10.838   77.296   11.244   99.844   8.0099  105.899   7.8352 -6.055252 11.20489 
1 1 1   -6    2   83 o   81.633   7.5868   44.156   8.0515   56.453   14.002   38.081   9.8412   89.415   11.556   73.851   9.8335 15.56385 15.17353 
1 1 1   -6    2   84 o  158.018   6.0226  169.315   12.181  186.404   21.443  161.173   14.801  163.177   9.6971  152.858   7.1452 10.31842 12.04525 
1 1 1   -6    2   85 o   81.731   6.4786   46.785   7.1710   48.269   10.094   45.272   10.190   83.097   8.9636   80.365   9.3563 2.731834 12.95715 
1 1 1   -6    2   86 o   95.276   5.8372   63.253   7.5225   58.101   10.440   68.815   10.848   91.181   8.4495   99.371   8.0559 -8.189888 11.67442 
1 1 1   -6    2   87 o   50.000   8.8729   18.897   6.0015   18.584   8.3930   19.225   8.5850   49.591   12.495   50.410   12.601 -0.8194542 17.74579 
1 1 1   -6    2   88 o   67.025   8.9662   34.406   7.5712   30.582   12.565   36.586   9.4869   62.390   15.038   71.660   9.7694 -9.269829 17.93248 
1 1 1   -6    2   89 o  102.553   6.7899   74.641   8.9520   76.688   15.333   73.582   11.026  102.784   11.008  102.323   7.9521 0.4608078 13.57989 
1 1 1   -6    2   90 o   36.465   9.8768   7.8827   6.5863   9.8923   11.093   6.7884   8.1853   39.203   14.982   33.727   12.874 5.475674 19.75350 
1 1 1   -6    2   91 o   57.572   10.953   27.064   8.9035   20.802   12.559   33.392   12.624   50.553   16.197   64.591   14.747 -14.03790 21.90504 
1 1 1   -6    2   92 o  124.364   10.642  113.332   17.936  113.332   17.936   0.0000   0.0000  124.364   10.642  ?   ?       ?      ? 
1 1 1   -6    2   93 o   48.044   16.062   18.902   12.289   18.902   12.289   0.0000   0.0000   48.044   16.062  ?   ?       ?      ? 
1 1 1   -6    2   94 o   51.465   15.917   22.285   12.230   22.285   12.230   0.0000   0.0000   51.465   15.917  ?   ?       ?      ? 
1 1 1   -6    3    1 o  608.146   7.2843  2507.15   60.024  2549.29   85.695  2466.56   84.100  613.161   10.313  603.131   10.290 10.03021 14.56851 
1 1 1   -6    3    2 o  257.004   4.2197  447.651   14.696  447.670   20.802  447.632   20.765  257.010   5.9727  256.999   5.9624 0.1074219E-01 8.439428 
1 1 1   -6    3    4 o  250.939   5.1133  429.679   16.642  436.944   20.816  416.808   27.706  253.912   6.0497  247.965   8.2452 5.946075 10.22657 
1 1 1   -6    3    5 o  575.295   8.0475  2268.68   54.942  2295.23   64.003  2194.32  107.111  581.887   8.1167  568.704   13.898 13.18329 16.09499 
1 1 1   -6    3    6 o  459.543   5.8817  1431.49   36.627  1443.74   52.035  1419.47   51.564  461.491   8.3206  457.596   8.3153 3.894592 11.76336 
1 1 1   -6    3    7 o  336.515   4.8249  767.273   21.999  786.332   31.440  748.992   30.792  340.608   6.8115  332.422   6.8353 8.185760 9.649795 
1 1 1   -6    3    8 o  823.501   9.4555  4600.45  105.513  4646.78  150.171  4555.27  148.284  827.594   13.390  819.408   13.354 8.186401 18.91098 
1 1 1   -6    3    9 o  793.941   9.1475  4274.08   98.389  4373.85  141.204  4179.92  137.171  802.939   12.977  784.943   12.896 17.99609 18.29493 
1 1 1   -6    3   10 o  676.715   9.7760  3079.86   83.879  3185.31  148.658  3030.61  101.597  684.966   16.015  668.463   11.216 16.50293 19.55200 
1 1 1   -6    3   11 o  541.318   6.6576  1986.56   48.833  2013.49   69.575  1960.42   68.558  544.932   9.4216  537.703   9.4088 7.228943 13.31513 
1 1 1   -6    3   12 o  493.005   7.5844  1657.03   48.023  1621.38   81.834  1675.76   59.310  488.861   12.353  497.149   8.8035 -8.288574 15.16890 
1 1 1   -6    3   13 o  405.206   6.6810  1132.88   34.975  1046.38   57.928  1182.50   43.873  392.768   10.884  417.644   7.7520 -24.87561 13.36207 
1 1 1   -6    3   14 o  802.150   11.301  4352.17  115.541  4425.06  201.867  4316.65  140.903  806.790   18.464  797.511   13.038 9.278931 22.60299 
1 1 1   -6    3   15 o  387.611   5.2951  1017.96   27.805  987.430   38.783  1050.25   39.883  381.634   7.4992  393.588   7.4777 -11.95377 10.59030 
1 1 1   -6    3   16 o  750.593   10.707  3784.80  101.718  3710.48  122.910  3946.33  181.200  739.370   12.267  761.816   17.552 -22.44537 21.41390 
1 1 1   -6    3   17 o  879.511   12.342  5270.91  138.762  5290.92  170.240  5231.30  239.524  882.558   14.234  876.464   20.167 6.093994 24.68414 
1 1 1   -6    3   18 o  303.547   4.6500  624.663   19.128  629.404   27.119  619.969   26.982  304.693   6.5679  302.400   6.5843 2.292725 9.300078 
1 1 1   -6    3   19 o  190.497   4.0070  245.757   10.335  231.786   14.393  260.630   14.850  184.912   5.7438  196.082   5.5886 -11.17050 8.014017 
1 1 1   -6    3   20 o  198.212   4.0297  266.323   10.823  270.816   15.357  261.889   15.256  199.874   5.6698  196.551   5.7277 3.323135 8.059388 
1 1 1   -6    3   21 o   76.850   4.3463   40.046   4.5229   38.016   6.3640   42.118   6.4292   74.881   6.2715   78.820   6.0192 -3.938118 8.692681 
1 1 1   -6    3   22 o  542.703   6.7251  1997.27   49.444  2053.56   70.960  1944.15   68.933  550.130   9.5184  535.276   9.5031 14.85455 13.45025 
1 1 1   -6    3   23 o  243.193   4.3148  400.969   14.220  404.347   20.123  397.599   20.096  244.217   6.0805  242.169   6.1235 2.047363 8.629603 
1 1 1   -6    3   24 o  293.439   4.6353  583.739   18.431  576.719   25.900  590.942   26.234  291.652   6.5532  295.226   6.5574 -3.574371 9.270551 
1 1 1   -6    3   25 o  324.642   4.8615  714.577   21.387  712.120   30.150  717.065   30.342  324.081   6.8653  325.204   6.8850 -1.122650 9.722932 
1 1 1   -6    3   26 o  804.051   9.3165  4390.21  101.509  4431.14  144.277  4350.09  142.844  807.761   13.180  800.341   13.171 7.419922 18.63298 
1 1 1   -6    3   27 o  516.150   7.9841  1817.51   52.766  1778.37   90.473  1837.68   64.958  511.784   13.045  520.517   9.2090 -8.733734 15.96824 
1 1 1   -6    3   28 o  1110.37   15.305  8345.01  215.916  8546.77  380.134  8248.91  262.343  1119.25   25.063  1101.50   17.575 17.75085 30.61093 
1 1 1   -6    3   29 o  619.515   9.1961  2649.28   73.753  2766.01   92.755  2448.59  121.618  638.557   10.719  600.474   14.946 38.08325 18.39228 
1 1 1   -6    3   30 o  193.877   4.9900  250.751   12.467  242.204   15.286  267.725   21.542  189.035   5.9674  198.719   7.9993 -9.683853 9.979930 
1 1 1   -6    3   31 o  782.248   9.0884  4151.71   96.336  4110.76  135.309  4193.79  137.190  778.339   12.828  786.156   12.877 -7.816956 18.17686 
1 1 1   -6    3   32 o  561.854   6.9396  2140.54   52.835  2164.77   75.086  2116.78   74.360  565.003   9.8068  558.705   9.8214 6.297668 13.87923 
1 1 1   -6    3   33 o  200.963   4.2648  273.797   11.611  277.152   16.278  270.322   16.566  202.217   5.9402  199.708   6.1213 2.509354 8.529666 
1 1 1   -6    3   34 o  913.045   12.827  5717.81  150.604  5839.89  186.767  5490.87  254.653  927.523   14.859  898.567   20.913 28.95642 25.65439 
1 1 1   -6    3   35 o  555.091   6.8962  2089.22   51.872  2068.90   72.865  2110.09   73.860  552.356   9.7346  557.826   9.7708 -5.470093 13.79244 
1 1 1   -6    3   36 o  391.056   6.6497  1033.57   33.291  1047.28   57.610  1026.70   40.791  392.947   10.819  389.165   7.7347 3.781525 13.29939 
1 1 1   -6    3   37 o  412.247   6.8565  1141.96   36.060  1183.48   63.179  1121.91   43.916  417.697   11.162  406.797   7.9664 10.90048 13.71303 
1 1 1   -6    3   38 o  968.720   11.015  6368.46  144.537  6542.74  207.961  6205.60  201.026  981.523   15.635  955.917   15.519 25.60614 22.02904 
1 1 1   -6    3   39 o  560.273   6.9652  2128.50   52.877  2165.51   75.470  2092.82   74.106  565.054   9.8560  555.491   9.8445 9.563416 13.93040 
1 1 1   -6    3   40 o  294.278   6.8144  587.066   27.175  587.066   27.175   0.0000   0.0000  294.278   6.8144  ?   ?       ?      ? 
1 1 1   -6    3   41 o  1434.10   15.932 14016.22  309.611 14134.46  440.317 13900.59  435.436  1440.07   22.563  1428.13   22.500 11.93994 31.86424 
1 1 1   -6    3   42 o  588.195   7.2377  2347.17   57.689  2333.27   81.192  2361.33   81.982  586.439   10.217  589.952   10.255 -3.512756 14.47534 
1 1 1   -6    3   43 o  690.815   8.2259  3239.39   77.006  3255.04  109.094  3223.85  108.714  692.479   11.626  689.152   11.641 3.327209 16.45184 
1 1 1   -6    3   44 o  203.543   5.3929  273.906   14.045  302.049   24.796  260.611   17.043  211.024   8.6709  196.062   6.4146 14.96190 10.78573 
1 1 1   -6    3   45 o  715.401   10.386  3454.67   94.493  3550.08  166.221  3409.12  114.858  722.252   16.983  708.550   11.962 13.70197 20.77294 
1 1 1   -6    3   46 o  257.560   6.5657  449.801   22.916  449.801   22.916   0.0000   0.0000  257.560   6.5657  ?   ?       ?      ? 
1 1 1   -6    3   47 o  528.874   6.7117  1896.44   48.078  1968.71   69.266  1829.24   66.788  538.588   9.4903  519.160   9.4932 19.42847 13.42337 
1 1 1   -6    3   48 o  290.753   5.8611  573.702   21.886  573.937   26.954  573.247   37.497  290.905   6.8374  290.601   9.5217 0.3039246 11.72230 
1 1 1   -6    3   49 o  356.943   7.4231  865.314   35.902  871.255   51.215  859.574   50.343  358.143   10.552  355.743   10.443 2.399780 14.84619 
1 1 1   -6    3   50 o  228.728   6.5747  355.725   20.348  374.751   28.606  336.238   28.951  234.943   8.9848  222.512   9.6012 12.43109 13.14948 
1 1 1   -6    3   51 o  379.519   6.7999  980.825   32.763  985.406   39.935  971.393   57.302  381.047   7.7338  377.992   11.187 3.054291 13.59982 
1 1 1   -6    3   52 o  382.319   7.7717  992.171   40.265  992.171   40.265   0.0000   0.0000  382.319   7.7717  ?   ?       ?      ? 
1 1 1   -6    3   53 o  449.258   6.0541  1370.83   36.857  1374.79   52.088  1366.86   52.160  449.911   8.5434  448.606   8.5801 1.305054 12.10818 
1 1 1   -6    3   54 o   76.499   7.3109   40.911   7.1243   36.378   12.008   43.374   8.8502   73.083   12.125   79.914   8.1723 -6.830772 14.62173 
1 1 1   -6    3   55 o  262.685   4.7542  467.837   16.912  444.676   23.517  492.643   24.338  255.956   6.7801  269.415   6.6662 -13.45923 9.508322 
1 1 1   -6    3   56 o  478.436   6.3067  1555.86   40.887  1576.34   58.139  1535.82   57.513  481.553   8.9092  475.319   8.9289 6.233459 12.61346 
1 1 1   -6    3   57 o  396.563   5.6364  1068.38   30.288  1055.74   42.530  1081.38   43.143  394.185   7.9618  398.940   7.9803 -4.755463 11.27276 
1 1 1   -6    3   58 o  573.100   7.1762  2235.72   55.727  2272.43   79.456  2200.18   78.178  577.729   10.149  568.470   10.148 9.259277 14.35230 
1 1 1   -6    3   59 o  291.187   4.9292  575.131   19.432  611.645   28.006  541.232   26.984  300.096   6.8867  282.278   7.0542 17.81796 9.858418 
1 1 1   -6    3   60 o  146.398   5.7109  145.446   10.750  146.600   18.408  144.849   13.243  146.759   9.2560  146.038   6.6920 0.7206116 11.42172 
1 1 1   -6    3   61 o  446.273   7.4268  1354.40   42.386  1368.29   73.411  1347.45   51.914  447.532   12.105  445.014   8.6084 2.517487 14.85358 
1 1 1   -6    3   62 o  293.007   4.9762  583.287   19.756  573.802   27.669  593.152   28.218  290.579   7.0266  295.435   7.0482 -4.856201 9.952465 
1 1 1   -6    3   63 o  363.106   5.4310  896.644   26.723  892.319   37.616  901.050   37.970  362.225   7.6632  363.987   7.6979 -1.761749 10.86199 
1 1 1   -6    3   64 o   92.733   6.5130   56.923   7.9267   52.352   9.8755   65.201   13.290   87.698   8.3097   97.768   10.031 -10.06968 13.02604 
1 1 1   -6    3   65 o  359.217   6.6542  885.270   30.620  897.045   37.744  862.605   52.367  363.106   7.6707  355.328   10.875 7.777618 13.30841 
1 1 1   -6    3   66 o  173.555   5.9150  201.921   12.931  196.613   15.537  213.882   23.323  170.059   6.7419  177.051   9.7209 -6.991562 11.83002 
1 1 1   -6    3   67 o   84.907   6.1115   49.101   7.0260   46.336   9.8159   52.007   10.061   82.449   8.7854   87.365   8.4982 -4.916229 12.22305 
1 1 1   -6    3   68 o  352.267   7.6559  844.816   36.547  844.816   36.547   0.0000   0.0000  352.267   7.6559  ?   ?       ?      ? 
1 1 1   -6    3   69 o  322.084   5.2698  705.953   22.996  687.158   32.192  725.536   32.860  317.703   7.4774  326.465   7.4277 -8.761688 10.53953 
1 1 1   -6    3   70 o  157.951   6.0733  170.141   12.176  170.213   21.349  170.107   14.823  157.794   9.9838  158.109   6.9184 -0.3144684 12.14663 
1 1 1   -6    3   71 o  144.722   5.0117  142.663   9.8133  152.871   13.952  132.667   13.806  149.869   6.8696  139.575   7.2991 10.29456 10.02335 
1 1 1   -6    3   72 o  185.675   6.7897  234.692   17.084  234.692   17.084   0.0000   0.0000  185.675   6.7897  ?   ?       ?      ? 
1 1 1   -6    3   73 o  229.270   4.8792  358.035   15.159  357.340   21.335  358.743   21.543  229.051   6.8734  229.490   6.9271 -0.4397736 9.758479 
1 1 1   -6    3   74 o  292.412   6.2779  589.794   23.597  569.029   39.950  600.920   29.244  287.970   10.237  296.855   7.2695 -8.885040 12.55587 
1 1 1   -6    3   75 o   86.879   7.7724   51.054   8.8749   55.696   14.697   48.389   11.134   89.789   12.079   83.970   9.7847 5.818764 15.54485 
1 1 1   -6    3   76 o  159.514   6.2549  174.400   12.574  174.358   15.215  174.492   22.331  159.825   7.0251  159.204   10.351 0.6208954 12.50975 
1 1 1   -6    3   77 o  179.856   4.9059  221.101   11.933  238.677   16.966  203.892   16.788  186.985   6.6956  172.728   7.1721 14.25677 9.811725 
1 1 1   -6    3   78 o  171.859   4.9139  202.164   11.414  220.094   16.212  184.541   16.073  179.486   6.6655  164.233   7.2220 15.25246 9.827822 
1 1 1   -6    3   79 o  182.001   6.0829  231.324   13.999  237.888   17.125  218.100   24.306  186.479   6.7766  177.523   10.104 8.956009 12.16584 
1 1 1   -6    3   80 o  150.028   6.4238  159.299   11.995  165.865   14.540  145.313   21.221  155.592   6.8960  144.464   10.840 11.12807 12.84763 
1 1 1   -6    3   81 o  141.968   5.0036  138.460   9.6195  142.429   13.496  134.362   13.714  144.079   6.9123  139.856   7.2362 4.223099 10.00716 
1 1 1   -6    3   82 o  112.580   5.3642   87.428   8.1743   89.892   11.402   84.822   11.725  114.268   7.3634  110.892   7.8024 3.376572 10.72833 
1 1 1   -6    3   83 o  103.974   5.5629   74.820   7.8205   80.932   11.108   68.812   11.013  108.266   7.5710   99.682   8.1525 8.583389 11.12576 
1 1 1   -6    3   84 o  144.421   6.1697  143.386   11.373  151.135   19.933  139.645   13.848  146.637   10.031  142.205   7.1862 4.432159 12.33942 
1 1 1   -6    3   85 o   53.328   8.2988   20.780   6.2116   10.193   8.5600   32.555   9.0277   38.677   13.396   67.978   9.8000 -29.30128 16.59763 
1 1 1   -6    3   86 o   27.677   8.3569   0.6235   5.5326  -0.3019   7.5212   1.7147   8.1673   26.294   11.404   29.060   12.219 -2.766275 16.71374 
1 1 1   -6    3   87 o   35.374   9.7853   6.6092   6.5831   7.2200   11.072   6.2751   8.1875   37.248   14.757   33.500   12.855 3.747707 19.57058 
1 1 1   -6    3   88 o   82.502   8.3647   53.933   8.2013   38.772   13.563   62.672   10.297   70.527   14.669   94.476   8.0428 -23.94938 16.72933 
1 1 1   -6    3   89 o   86.146   8.0909   57.785   8.3547   45.326   14.038   64.618   10.396   76.488   14.062   95.805   8.0078 -19.31709 16.18185 
1 1 1   -6    3   90 o   82.881   7.7021   48.771   8.3208   55.322   14.126   45.290   10.297   86.343   12.073   79.418   9.5674 6.925255 15.40425 
1 1 1   -6    3   91 o  116.658   7.9841  100.253   12.589   98.649   17.148  102.128   18.540  115.960   10.912  117.356   11.658 -1.395271 15.96822 
1 1 1   -6    3   92 o  194.221   9.9915  274.368   26.297  274.368   26.297   0.0000   0.0000  194.221   9.9915  ?   ?       ?      ? 
1 1 1   -6    3   93 o   78.857   13.121   47.771   14.022   47.771   14.022   0.0000   0.0000   78.857   13.121  ?   ?       ?      ? 
1 1 1   -6    3   94 o   57.387   15.965   27.988   12.869   27.988   12.869   0.0000   0.0000   57.387   15.965  ?   ?       ?      ? 
1 1 1   -6    3   95 o   48.679   16.533   20.309   13.022   20.309   13.022   0.0000   0.0000   48.679   16.533  ?   ?       ?      ? 
1 1 1   -6    4    1 o  948.565   13.144  6018.99  157.468  5855.64  189.602  6382.17  282.715  928.664   15.066  968.467   21.542 -39.80249 26.28754 
1 1 1   -6    4    2 o  345.674   5.9743  815.292   26.556  826.756   32.864  793.721   45.080  349.235   6.9441  342.114   9.7236 7.120361 11.94862 
1 1 1   -6    4    3 o   83.986   4.1818   46.408   4.6393   42.012   5.8325   53.980   7.6548   78.732   5.4666   89.240   6.3298 -10.50817 8.363626 
1 1 1   -6    4    4 o  325.932   5.7974  725.232   24.332  736.648   30.170  703.994   41.153  329.658   6.7536  322.206   9.4250 7.452301 11.59489 
1 1 1   -6    4    5 o  941.615   13.062  6023.02  157.199  6016.24  192.578  6036.56  272.139  941.309   15.097  941.920   21.320 -0.6110840 26.12427 
1 1 1   -6    4    6 o  969.649   13.454  6474.21  168.568  6678.18  210.783  6112.30  280.774  991.635   15.686  947.662   21.864 43.97205 26.90825 
1 1 1   -6    4    7 o  679.884   11.337  3139.60  104.447  3092.01  147.151  3187.92  148.276  674.685   16.095  685.083   15.971 -10.39722 22.67425 
1 1 1   -6    4    8 o  917.159   20.818  5724.22  258.741   0.0000   0.0000  5724.22  258.741  ?   ?   917.159   20.818      ?      ? 
1 1 1   -6    4   10 o  231.462   4.1226  363.138   12.931  360.698   18.272  365.585   18.302  230.683   5.8450  232.240   5.8153 -1.557678 8.245108 
1 1 1   -6    4   11 o  500.523   6.2924  1698.99   42.680  1693.86   60.295  1704.14   60.422  499.765   8.9029  501.280   8.8947 -1.515045 12.58479 
1 1 1   -6    4   12 o  397.747   5.3762  1072.56   28.976  1085.41   41.232  1060.02   40.730  400.101   7.6047  395.394   7.6016 4.706879 10.75250 
1 1 1   -6    4   13 o  568.978   6.9421  2195.77   53.521  2228.09   76.343  2164.54   75.054  573.093   9.8302  564.862   9.8050 8.230774 13.88424 
1 1 1   -6    4   14 o  286.703   5.5706  548.135   20.194  532.397   24.327  583.013   36.214  280.235   6.4059  293.172   9.1153 -12.93661 11.14112 
1 1 1   -6    4   15 o  392.345   6.6103  1045.23   33.018  1047.05   40.320  1041.53   57.532  392.946   7.5718  391.744   10.837 1.202393 13.22054 
1 1 1   -6    4   16 o  393.855   7.6126  1051.95   40.630   0.0000   0.0000  1051.95   40.630  ?   ?   393.855   7.6126      ?      ? 
1 1 1   -6    4   17 o  612.763   7.3804  2548.35   61.285  2542.48   86.562  2554.25   86.778  612.056   10.436  613.471   10.438 -1.414978 14.76074 
1 1 1   -6    4   18 o  140.211   3.8954  133.267   7.4008  135.486   10.488  131.066   10.445  141.374   5.4742  139.048   5.5433 2.325775 7.790707 
1 1 1   -6    4   19 o  200.044   4.0710  271.290   11.035  275.492   15.632  267.115   15.580  201.588   5.7224  198.499   5.7920 3.089645 8.142081 
1 1 1   -6    4   20 o  395.837   5.4042  1062.36   28.985  1041.71   40.626  1083.77   41.367  391.919   7.6493  399.754   7.6362 -7.834656 10.80845 
1 1 1   -6    4   21 o  287.063   4.5772  558.685   17.805  554.037   25.088  563.402   25.273  285.860   6.4765  288.266   6.4697 -2.405823 9.154357 
1 1 1   -6    4   22 o  501.113   6.3472  1702.52   43.090  1749.72   61.813  1657.90   60.099  507.865   8.9815  494.360   8.9710 13.50555 12.69433 
1 1 1   -6    4   23 o  279.592   4.5451  529.965   17.220  533.972   24.392  525.982   24.315  280.646   6.4137  278.538   6.4418 2.108246 9.090218 
1 1 1   -6    4   24 o  507.094   6.4166  1744.07   44.092  1762.52   62.628  1725.94   62.087  509.754   9.0661  504.435   9.0827 5.318878 12.83317 
1 1 1   -6    4   25 o  400.094   7.7369  1085.39   41.948  1085.39   41.948   0.0000   0.0000  400.094   7.7369  ?   ?       ?      ? 
1 1 1   -6    4   26 o  1203.00   16.515  9805.11  252.461 10034.06  444.178  9695.84  306.844  1212.10   27.042  1193.90   18.966 18.20410 33.02955 
1 1 1   -6    4   27 o  546.530   8.3668  2074.81   59.441  2219.82   75.743  1842.30   95.909  572.104   9.7697  520.957   13.585 51.14648 16.73354 
1 1 1   -6    4   28 o  340.216   6.1190  794.385   26.845  817.328   33.460  752.939   44.973  347.232   7.1109  333.199   9.9602 14.03314 12.23810 
1 1 1   -6    4   29 o  747.742   8.7457  3793.20   88.616  3830.80  126.063  3756.48  124.593  751.403   12.380  744.080   12.356 7.322693 17.49149 
1 1 1   -6    4   30 o  514.094   6.5052  1792.07   45.320  1793.57   64.046  1790.56   64.138  514.311   9.1893  513.878   9.2102 0.4326782 13.01048 
1 1 1   -6    4   31 o  256.298   4.5048  445.237   15.645  450.701   22.162  439.809   22.089  257.866   6.3422  254.730   6.3991 3.135910 9.009536 
1 1 1   -6    4   32 o  446.062   7.3110  1356.19   41.538  1369.61   50.852  1329.28   72.008  449.465   8.3489  442.659   12.004 6.805237 14.62197 
1 1 1   -6    4   33 o  144.299   5.3818  141.319   9.6892  141.580   11.627  140.727   17.529  144.531   5.9364  144.067   8.9786 0.4636383 10.76366 
1 1 1   -6    4   34 o  451.080   5.9673  1379.33   36.474  1364.34   51.216  1394.76   51.956  448.593   8.4249  453.566   8.4531 -4.972778 11.93457 
1 1 1   -6    4   35 o  757.446   10.840  3897.16  105.036  3890.25  181.353  3900.64  128.848  756.682   17.686  758.211   12.540 -1.529236 21.68066 
1 1 1   -6    4   36 o  724.100   10.441  3559.94   96.712  3559.27  167.038  3560.27  118.615  723.810   17.030  724.391   12.083 -0.5815430 20.88102 
1 1 1   -6    4   37 o  684.746   8.1619  3181.07   75.736  3174.95  106.860  3187.23  107.355  684.086   11.527  685.405   11.558 -1.319275 16.32386 
1 1 1   -6    4   38 f  1748.50   19.319 20872.61  457.706 21126.69  652.635 20626.67  642.081  1758.94   27.380  1738.06   27.261 20.88123 38.63728 
1 1 1   -6    4   39 o  1183.68   13.271  9522.41  212.779  9801.66  306.741  9263.42  295.409  1200.37   18.857  1166.99   18.680 33.38013 26.54285 
1 1 1   -6    4   40 o  870.750   10.021  5149.12  118.244  5202.16  168.300  5097.42  166.165  875.174   14.191  866.325   14.154 8.849731 20.04275 
1 1 1   -6    4   41 f  445.388   5.9699  1343.86   36.012  1297.32   49.957  1394.20   51.959  437.371   8.4288  453.406   8.4565 -16.03488 11.93976 
1 1 1   -6    4   42 o  542.644   6.8307  1995.04   50.195  1922.62   69.447  2074.26   72.632  532.349   9.6267  552.938   9.6933 -20.58929 13.66135 
1 1 1   -6    4   43 o  618.640   9.2651  2610.42   73.474  2565.67  125.823  2633.58   90.508  614.349   15.113  622.931   10.722 -8.582214 18.53021 
1 1 1   -6    4   44 o  366.845   7.5392  911.192   37.426  956.162   54.740  871.718   51.286  375.317   10.763  358.373   10.560 16.94421 15.07836 
1 1 1   -6    4   45 o  390.380   6.8303  1051.12   34.425  976.609   57.193  1093.46   43.108  379.253   11.128  401.508   7.9229 -22.25488 13.66068 
1 1 1   -6    4   46 o  545.469   6.8647  2019.51   50.742  2012.41   71.524  2026.69   71.999  544.506   9.6931  546.431   9.7232 -1.925293 13.72942 
1 1 1   -6    4   47 o  335.835   6.2234  766.252   26.821  768.041   33.020  762.782   45.981  336.498   7.2412  335.172   10.123 1.326050 12.44671 
1 1 1   -6    4   48 o  451.839   7.4163  1413.00   43.342  1482.07   54.533  1294.53   71.416  467.297   8.6115  436.380   12.077 30.91748 14.83263 
1 1 1   -6    4   49 o  186.027   5.6723  229.541   13.184  221.592   15.705  248.512   24.263  180.750   6.4116  191.304   9.3591 -10.55386 11.34468 
1 1 1   -6    4   50 f  505.155   6.5190  1733.02   44.625  1727.12   62.888  1739.00   63.333  504.292   9.2025  506.019   9.2359 -1.727203 13.03792 
1 1 1   -6    4   51 o  297.068   4.9163  598.661   19.787  617.696   28.211  580.231   27.759  301.718   6.8999  292.419   7.0052 9.299500 9.832659 
1 1 1   -6    4   52 o  247.908   4.6810  416.958   15.725  412.050   22.072  422.016   22.408  246.428   6.6095  249.389   6.6304 -2.961151 9.362039 
1 1 1   -6    4   53 o  369.839   6.6029  913.117   30.999  976.531   55.227  883.948   37.456  378.861   10.757  360.817   7.6603 18.04422 13.20573 
1 1 1   -6    4   54 o  325.212   6.3032  725.070   26.263  699.210   44.795  738.616   32.419  320.589   10.311  329.836   7.2531 -9.246582 12.60638 
1 1 1   -6    4   55 o  592.018   7.3423  2385.24   58.905  2386.43   83.331  2384.04   83.276  592.166   10.384  591.870   10.383 0.2960815 14.68460 
1 1 1   -6    4   56 f  288.066   4.9042  563.090   19.138  544.266   26.710  582.949   27.434  283.120   6.9618  293.013   6.9091 -9.893158 9.808325 
1 1 1   -6    4   57 f  329.113   5.1562  735.656   22.993  751.674   32.683  719.959   32.354  332.665   7.2500  325.562   7.3336 7.102631 10.31230 
1 1 1   -6    4   58 o  290.309   4.9247  572.417   19.374  571.093   27.314  573.759   27.484  289.972   6.9511  290.646   6.9779 -0.6734924 9.849317 
1 1 1   -6    4   59 f  217.830   5.6566  321.398   15.809  326.304   27.242  318.906   19.412  218.963   9.1810  216.698   6.6105 2.265015 11.31325 
1 1 1   -6    4   60 o  623.144   7.6779  2645.43   64.798  2743.42   93.573  2555.15   89.819  634.208   10.888  612.081   10.829 22.12756 15.35584 
1 1 1   -6    4   61 o  151.629   4.7825  156.307   9.8171  164.334   13.884  148.282   13.883  155.535   6.5872  147.723   6.9352 7.811829 9.564908 
1 1 1   -6    4   62 o  274.384   4.8937  511.679   18.195  517.802   25.710  505.536   25.753  276.034   6.8731  272.734   6.9681 3.300171 9.787419 
1 1 1   -6    4   63 o  266.365   4.8849  482.101   17.621  506.711   25.158  458.403   24.688  273.048   6.7993  259.681   7.0156 13.36731 9.769751 
1 1 1   -6    4   64 o  464.988   8.8409  1472.98   55.708  1472.98   55.708   0.0000   0.0000  464.988   8.8409  ?   ?       ?      ? 
1 1 1   -6    4   65 o  292.154   7.0768  580.457   28.018  580.457   28.018   0.0000   0.0000  292.154   7.0768  ?   ?       ?      ? 
1 1 1   -6    4   66 o  237.589   4.8123  383.804   15.490  396.338   22.026  371.540   21.787  241.436   6.7323  233.743   6.8782 7.692810 9.624631 
1 1 1   -6    4   67 o  402.831   5.8052  1104.64   31.677  1147.58   45.473  1064.16   44.152  410.440   8.1756  395.223   8.2437 15.21750 11.61035 
1 1 1   -6    4   68 o  323.686   5.2618  711.973   23.053  762.102   33.321  665.951   31.927  334.614   7.3484  312.758   7.5330 21.85593 10.52351 
1 1 1   -6    4   69 o  196.985   4.8542  263.685   12.943  246.578   17.991  282.041   18.635  190.357   6.9742  203.613   6.7538 -13.25606 9.708393 
1 1 1   -6    4   70 o  187.827   5.9127  236.813   14.206  252.031   24.895  229.465   17.298  192.043   9.5659  183.612   6.9522 8.430969 11.82535 
1 1 1   -6    4   71 o  327.559   5.2857  731.059   23.462  735.977   33.231  726.172   33.131  328.661   7.4613  326.457   7.4889 2.203339 10.57145 
1 1 1   -6    4   72 o  135.689   5.1327  125.587   9.4250  132.749   13.307  118.377   13.351  139.598   7.0342  131.779   7.4764 7.818405 10.26530 
1 1 1   -6    4   73 o  307.432   5.2108  644.346   21.706  656.008   30.990  633.115   30.413  310.161   7.3730  304.704   7.3655 5.457947 10.42169 
1 1 1   -6    4   74 o  145.160   6.1517  143.899   11.541  145.126   19.541  143.241   14.301  145.423   9.9160  144.898   7.2834 0.5247650 12.30345 
1 1 1   -6    4   75 o  162.781   4.9386  180.779   10.893  178.224   15.291  183.413   15.522  161.613   6.9822  163.948   6.9864 -2.335205 9.877274 
1 1 1   -6    4   76 o  140.156   5.1311  134.109   9.7289  123.567   13.547  145.336   13.981  134.444   7.4356  145.868   7.0727 -11.42433 10.26213 
1 1 1   -6    4   77 o  221.330   4.8805  334.767   14.638  333.793   20.607  335.758   20.796  221.011   6.8804  221.649   6.9236 -0.6379547 9.760920 
1 1 1   -6    4   78 o  229.398   7.0715  362.248   21.925  343.668   29.715  384.448   32.482  223.046   9.8310  235.751   10.167 -12.70529 14.14296 
1 1 1   -6    4   79 o   50.237   16.205   17.881   12.554   17.881   12.554   0.0000   0.0000   50.237   16.205  ?   ?       ?      ? 
1 1 1   -6    4   80 o  107.943   7.6333   82.167   9.8466   83.240   11.540   79.295   18.880  110.006   7.7415  105.881   13.158 4.124130 15.26664 
1 1 1   -6    4   81 o  178.337   4.8954  218.695   11.808  234.183   16.701  203.214   16.698  184.744   6.6708  171.930   7.1667 12.81418 9.790846 
1 1 1   -6    4   82 o  178.787   4.9081  220.093   11.869  236.216   16.839  204.171   16.734  185.392   6.7026  172.183   7.1716 13.20915 9.816113 
1 1 1   -6    4   83 o  160.879   4.9692  178.475   10.831  179.479   15.182  177.433   15.457  161.374   6.9424  160.385   7.1117 0.9894257 9.938463 
1 1 1   -6    4   84 o   85.302   7.8209   53.323   8.4691   46.370   14.168   57.190   10.564   80.057   13.059   90.548   8.6097 -10.49045 15.64179 
1 1 1   -6    4   85 o   54.550   8.4057   21.589   6.3627   11.394   8.6370   33.688   9.4090   40.116   13.465   68.984   10.065 -28.86853 16.81130 
1 1 1   -6    4   86 o   96.961   7.4929   71.161   9.0343   54.947   15.043   80.308   11.299   86.631   12.813  107.291   7.7713 -20.65977 14.98589 
1 1 1   -6    4   87 o   60.319   9.0020   23.108   7.1462   45.211   12.809   13.120   8.6107   78.671   12.015   41.967   13.408 36.70331 18.00404 
1 1 1   -6    4   88 o   80.304   8.3159   49.372   8.1400   42.380   13.741   53.152   10.104   73.909   14.236   86.700   8.5996 -12.79100 16.63177 
1 1 1   -6    4   89 o   49.759   10.198   18.586   7.0236   23.807   11.931   15.818   8.6885   54.320   15.466   45.197   13.297 9.122337 20.39591 
1 1 1   -6    4   90 o   56.930   11.543   27.009   9.3934   28.910   12.564   24.598   14.145   59.592   15.434   54.269   17.169 5.322460 23.08672 
1 1 1   -6    4   91 o   44.180   11.134   12.671   8.8785   4.0926   11.687   24.381   13.654   34.495   14.566   53.866   16.844 -19.37078 22.26856 
1 1 1   -6    4   92 o   94.240   11.838   66.581   15.118   66.581   15.118   0.0000   0.0000   94.240   11.838  ?   ?       ?      ? 
1 1 1   -6    4   93 o   69.544   15.131   39.731   13.855   39.731   13.855   0.0000   0.0000   69.544   15.131  ?   ?       ?      ? 
1 1 1   -6    4   94 o   49.316   16.181   20.664   12.490   20.664   12.490   0.0000   0.0000   49.316   16.181  ?   ?       ?      ? 
1 1 1   -6    4   95 o   27.576   12.896  -7.1749   11.988  -7.1749   11.988   0.0000   0.0000   27.576   12.896  ?   ?       ?      ? 
1 1 1   -6    5    1 o  311.948   6.6370  659.750   28.057   0.0000   0.0000  659.750   28.057  ?   ?   311.948   6.6370      ?      ? 
1 1 1   -6    5    2 o  223.914   5.1003  337.592   14.464  346.580   25.646  333.400   17.515  226.057   8.3718  221.771   5.8279 4.285477 10.20053 
1 1 1   -6    5    3 o  533.663   13.339  1934.36   96.469   0.0000   0.0000  1934.36   96.469  ?   ?   533.663   13.339      ?      ? 
1 1 1   -6    5    4 o  225.069   5.1311  340.914   14.585  350.515   26.009  336.510   17.615  227.335   8.4427  222.803   5.8340 4.531525 10.26227 
1 1 1   -6    5    5 o  305.842   5.7870  638.802   22.516  621.419   39.051  647.459   27.558  302.654   9.5214  309.030   6.5805 -6.376434 11.57407 
1 1 1   -6    5    6 o  228.842   4.1413  354.929   12.840  366.238   18.289  343.939   18.029  232.436   5.8064  225.247   5.9066 7.188934 8.282625 
1 1 1   -6    5    7 o  804.014   10.678  4349.44  100.138  4307.00  115.025  4482.27  203.516  796.644   10.655  811.385   18.509 -14.74121 21.35691 
1 1 1   -6    5    8 o  423.138   6.4391  1220.49   32.280  1226.82   37.508  1202.43   63.387  425.385   6.5067  420.890   11.113 4.494995 12.87810 
1 1 1   -6    5    9 o  516.393   7.3872  1781.28   44.574  1754.34   51.176  1865.96   90.728  508.634   7.4247  524.152   12.773 -15.51819 14.77440 
1 1 1   -6    5   10 o  338.346   5.5306  746.734   21.895  719.472   25.033  835.466   45.162  325.781   5.6704  350.910   9.4973 -25.12860 11.06123 
1 1 1   -6    5   11 f  682.075   8.0508  3158.40   74.413  3171.34  105.517  3145.60  104.957  683.464   11.393  680.686   11.378 2.778137 16.10152 
1 1 1   -6    5   12 o   55.399   7.2911   26.910   4.5394   33.037   5.3386   10.916   8.6251   69.810   5.6432   40.988   13.446 28.82166 14.58211 
1 1 1   -6    5   13 o  439.196   7.1091  1306.09   39.697  1300.53   48.342  1317.63   69.561  437.881   8.1468  440.511   11.653 -2.630096 14.21821 
1 1 1   -6    5   14 o  410.475   5.5155  1142.58   30.678  1158.51   43.666  1127.06   43.110  413.300   7.7965  407.650   7.8038 5.649994 11.03110 
1 1 1   -6    5   15 o  378.023   5.2443  969.076   26.865  963.062   37.903  975.146   38.082  376.844   7.4221  379.201   7.4109 -2.357300 10.48850 
1 1 1   -6    5   17 o  182.796   4.0072  226.453   9.9185  214.264   13.897  239.109   14.160  177.782   5.7683  187.810   5.5639 -10.02832 8.014380 
1 1 1   -6    5   18 o  374.114   5.2371  948.912   26.548  965.737   37.856  932.629   37.240  377.377   7.4024  370.852   7.4102 6.525330 10.47412 
1 1 1   -6    5   19 o  192.088   5.7684  250.125   15.015  250.125   15.015   0.0000   0.0000  192.088   5.7684  ?   ?       ?      ? 
1 1 1   -6    5   20 o  400.674   5.4718  1088.46   29.708  1105.80   42.318  1071.61   41.714  403.820   7.7332  397.528   7.7434 6.292053 10.94362 
1 1 1   -6    5   21 o  139.906   4.0323  132.636   7.6421  137.813   10.907  127.643   10.711  142.588   5.6445  137.225   5.7600 5.363159 8.064629 
1 1 1   -6    5   22 o  187.181   5.8394  237.492   14.812  237.492   14.812   0.0000   0.0000  187.181   5.8394  ?   ?       ?      ? 
1 1 1   -6    5   23 o  128.333   4.1026  111.660   7.1279  105.446   10.033  117.994   10.129  124.725   5.9358  131.940   5.6649 -7.215088 8.205165 
1 1 1   -6    5   24 o  1098.08   15.152  8167.86  211.543  8324.02  371.458  8092.91  257.353  1104.95   24.808  1091.22   17.403 13.72998 30.30344 
1 1 1   -6    5   25 o  770.054   12.699  4020.38  132.338  4214.84  193.504  3849.50  181.391  787.483   18.133  752.625   17.785 34.85840 25.39896 
1 1 1   -6    5   26 o  697.139   10.039  3243.99   88.524  3150.26  106.683  3451.18  158.619  681.455   11.552  712.824   16.421 -31.36896 20.07729 
1 1 1   -6    5   27 o  643.680   7.7207  2809.94   67.342  2840.51   95.853  2780.13   94.631  647.137   10.930  640.223   10.907 6.913879 15.44142 
1 1 1   -6    5   28 o  1298.53   14.475 11465.49  254.715 11427.00  359.240 11504.41  361.212  1296.34   20.449  1300.72   20.493 -4.373291 28.95042 
1 1 1   -6    5   29 o  503.354   6.4245  1716.87   43.809  1765.29   62.875  1671.18   61.075  510.247   9.0931  496.461   9.0781 13.78659 12.84899 
1 1 1   -6    5   30 o  414.778   7.0322  1178.45   37.223  1202.70   45.783  1131.15   63.932  421.198   8.0212  408.358   11.553 12.83966 14.06448 
1 1 1   -6    5   31 o  296.286   5.9688  601.142   22.431  612.576   27.418  577.999   39.008  300.622   6.7302  291.950   9.8595 8.671600 11.93758 
1 1 1   -6    5   32 f  549.454   6.8455  2046.82   50.966  2081.18   72.665  2013.54   71.502  553.992   9.6792  544.915   9.6829 9.076965 13.69106 
1 1 1   -6    5   33 o  1249.36   17.111 10690.93  274.502 10441.35  467.527 10822.23  339.106  1237.11   27.888  1261.61   19.835 -24.49866 34.22207 
1 1 1   -6    5   34 o  307.967   5.9095  631.644   23.269  677.065   40.901  609.908   28.294  315.977   9.5520  299.957   6.9606 16.02042 11.81906 
1 1 1   -6    5   35 o  928.221   10.606  5850.53  133.413  5880.70  189.327  5820.76  188.029  930.597   15.013  925.845   14.987 4.751465 21.21299 
1 1 1   -6    5   36 o  394.088   5.5198  1052.70   29.474  1033.96   41.310  1072.14   42.066  390.515   7.8062  397.660   7.8062 -7.145203 11.03958 
1 1 1   -6    5   37 o  447.438   5.9642  1356.32   36.147  1312.85   50.226  1403.02   52.062  440.009   8.4233  454.867   8.4461 -14.85776 11.92843 
1 1 1   -6    5   38 o  690.041   8.2144  3230.81   76.805  3277.25  109.530  3185.88  107.730  694.917   11.631  685.164   11.603 9.753235 16.42871 
1 1 1   -6    5   39 o  708.638   10.246  3388.07   92.479  3343.74  112.577  3480.07  162.171  701.870   11.836  715.407   16.728 -13.53680 20.49177 
1 1 1   -6    5   40 o  614.189   10.560  2560.56   87.837  2651.24  127.053  2477.55  121.569  624.582   15.011  603.795   14.858 20.78748 21.12068 
1 1 1   -6    5   41 o  263.828   6.6725  471.918   23.856   0.0000   0.0000  471.918   23.856  ?   ?   263.828   6.6725      ?      ? 
1 1 1   -6    5   42 o  746.570   10.797  3795.93  103.050  3771.32  177.919  3808.36  126.413  744.309   17.640  748.832   12.457 -4.523132 21.59489 
1 1 1   -6    5   43 o  189.171   6.3854  242.633   16.369   0.0000   0.0000  242.633   16.369  ?   ?   189.171   6.3854      ?      ? 
1 1 1   -6    5   44 o  917.490   10.529  5725.08  130.898  5809.61  186.818  5643.57  183.462  924.134   14.918  910.846   14.863 13.28845 21.05847 
1 1 1   -6    5   45 o  594.214   7.3315  2397.46   59.036  2401.88   83.541  2393.05   83.437  594.761   10.365  593.666   10.371 1.095215 14.66291 
1 1 1   -6    5   46 o  271.779   4.8099  499.667   17.691  470.194   24.330  532.736   25.771  263.296   6.8188  280.262   6.7856 -16.96564 9.619797 
1 1 1   -6    5   47 o  446.133   8.4823  1350.89   51.281  1350.89   51.281   0.0000   0.0000  446.133   8.4823  ?   ?       ?      ? 
1 1 1   -6    5   48 o  406.593   7.0776  1133.65   36.668  1155.05   45.017  1091.48   63.206  412.533   8.0526  400.653   11.642 11.88016 14.15519 
1 1 1   -6    5   49 o  510.183   6.5699  1767.63   45.418  1794.92   64.738  1741.17   63.736  514.060   9.2931  506.306   9.2895 7.754486 13.13985 
1 1 1   -6    5   50 o  331.467   5.1502  745.079   23.124  773.915   33.212  717.944   32.217  337.689   7.2575  325.245   7.3095 12.44424 10.30049 
1 1 1   -6    5   51 o  302.866   4.9581  622.543   20.349  622.123   28.775  622.962   28.781  302.764   7.0135  302.968   7.0102 -0.2042542 9.916274 
1 1 1   -6    5   52 o  396.628   5.6275  1068.36   30.247  1073.36   42.791  1063.36   42.759  397.558   7.9428  395.698   7.9741 1.859589 11.25491 
1 1 1   -6    5   53 o  157.775   5.6801  169.260   11.465  168.577   19.779  169.605   14.070  157.470   9.2690  158.081   6.5680 -0.6107330 11.36013 
1 1 1   -6    5   54 o  690.197   10.187  3257.71   89.866  3249.12  155.277  3262.04  110.196  688.525   16.642  691.869   11.753 -3.344299 20.37382 
1 1 1   -6    5   55 f  522.994   6.7168  1860.02   47.595  1822.20   66.538  1899.66   68.108  517.554   9.4870  528.435   9.5109 -10.88062 13.43360 
1 1 1   -6    5   56 o  187.367   4.5904  238.339   11.654  234.033   16.435  242.693   16.529  185.663   6.5323  189.071   6.4511 -3.408463 9.180889 
1 1 1   -6    5   57 o  231.029   5.6434  354.236   16.638  388.029   29.486  338.451   20.153  238.809   9.1115  223.248   6.6615 15.56142 11.28689 
1 1 1   -6    5   58 o  176.752   5.6082  213.034   12.685  210.428   21.824  214.364   15.588  175.835   9.1592  177.670   6.4744 -1.835007 11.21642 
1 1 1   -6    5   59 o  179.603   4.6037  219.070   11.201  211.151   15.750  227.174   15.933  176.314   6.5917  182.893   6.4286 -6.578491 9.207494 
1 1 1   -6    5   60 o  159.596   4.7049  173.029   10.172  179.539   14.466  166.662   14.306  162.571   6.5661  156.622   6.7403 5.949432 9.409826 
1 1 1   -6    5   61 o  480.305   6.3819  1571.13   41.538  1567.83   58.595  1574.46   58.893  479.802   9.0120  480.807   9.0388 -1.005493 12.76381 
1 1 1   -6    5   62 o  219.376   4.7223  327.069   14.037  332.307   19.865  321.845   19.839  221.136   6.6290  217.617   6.7273 3.518433 9.444612 
1 1 1   -6    5   63 o  148.296   6.2607  154.252   11.494  161.430   13.885  138.627   20.486  154.115   6.6484  142.476   10.611 11.63870 12.52144 
1 1 1   -6    5   64 o  155.817   5.7125  163.046   11.517  157.977   14.199  172.792   19.688  152.429   6.8741  159.206   9.1256 -6.777390 11.42493 
1 1 1   -6    5   65 o  298.106   5.0904  604.585   20.562  613.107   29.053  596.031   29.105  300.220   7.1412  295.991   7.2562 4.229034 10.18079 
1 1 1   -6    5   66 o  355.928   5.4608  862.503   26.339  862.958   37.203  862.046   37.295  356.024   7.7111  355.831   7.7343 0.1932983 10.92159 
1 1 1   -6    5   67 o  171.092   6.8339  199.122   15.845  199.122   15.845   0.0000   0.0000  171.092   6.8339  ?   ?       ?      ? 
1 1 1   -6    5   68 o  162.219   4.8491  179.009   10.652  169.953   14.941  188.369   15.190  158.036   6.9767  166.402   6.7364 -8.366470 9.698149 
1 1 1   -6    5   69 o  174.229   5.9105  205.075   13.146  212.829   22.997  201.311   16.022  176.469   9.6166  171.988   6.8746 4.480850 11.82110 
1 1 1   -6    5   70 o  205.433   6.0022  291.423   15.713  277.738   26.989  298.440   19.326  201.479   9.8850  209.386   6.8112 -7.906570 12.00434 
1 1 1   -6    5   71 o  147.751   5.0770  148.624   10.156  157.992   14.565  139.760   14.167  152.292   7.0577  143.209   7.3002 9.083237 10.15396 
1 1 1   -6    5   72 o  241.549   5.9241  393.024   18.300  415.389   32.028  382.184   22.298  246.271   9.5971  236.827   6.9480 9.444183 11.84812 
1 1 1   -6    5   73 o  249.490   5.0008  423.587   16.889  449.151   24.520  400.508   23.297  256.642   7.0502  242.337   7.0941 14.30508 10.00160 
1 1 1   -6    5   74 o  118.199   5.3122   95.435   8.5082   95.845   11.974   95.016   12.091  118.462   7.4592  117.935   7.5656 0.5269241 10.62442 
1 1 1   -6    5   75 o   39.191   8.9705   8.9534   6.0461   1.2116   8.4582   17.042   8.6457   29.736   12.465   48.646   12.903 -18.90985 17.94105 
1 1 1   -6    5   76 o  110.133   5.5405   83.090   8.2307   93.932   11.822   72.891   11.466  117.164   7.4458  103.102   8.2067 14.06180 11.08106 
1 1 1   -6    5   77 o   91.872   8.0143   57.566   9.0651   56.083   10.715   61.300   17.001   90.291   8.7575   93.452   13.425 -3.161644 16.02854 
1 1 1   -6    5   78 o  127.486   5.2328  111.382   9.0351  109.084   12.524  113.876   13.047  126.131   7.3272  128.842   7.4727 -2.710434 10.46561 
1 1 1   -6    5   79 o  141.786   5.8931  134.504   10.849  125.182   13.343  152.697   18.639  135.031   7.2917  148.541   9.2599 -13.50940 11.78618 
1 1 1   -6    5   80 o   83.037   6.5605   48.412   7.2825   55.540   10.097   40.685   10.513   89.677   8.3089   76.397   10.155 13.28021 13.12091 
1 1 1   -6    5   81 f  212.789   4.8360  311.293   13.940  322.624   19.793  300.143   19.635  216.674   6.7410  208.903   6.9359 7.771317 9.671997 
1 1 1   -6    5   82 o  111.533   5.4566   86.054   8.2428   85.613   11.834   86.469   11.488  111.216   7.8520  111.851   7.5791 -0.6352997 10.91321 
1 1 1   -6    5   83 o   61.078   9.5096   28.526   7.4570   24.167   12.777   30.778   9.1833   56.098   16.015   66.057   10.259 -9.958813 19.01928 
1 1 1   -6    5   84 o   93.760   8.7612   64.125   11.001   71.801   15.188   55.654   15.956  100.265   11.178   87.256   13.494 13.00893 17.52245 
1 1 1   -6    5   85 o  178.662   6.0615  221.849   13.946  230.635   23.914  217.320   17.168  180.398   9.7824  176.926   7.1605 3.471161 12.12301 
1 1 1   -6    5   86 o  101.160   6.9137   69.108   9.1049   86.769   15.749   60.243   11.159  109.953   10.570   92.366   8.9149 17.58730 13.82733 
1 1 1   -6    5   87 o   46.829   10.034   17.408   7.0229   12.556   11.626   20.196   8.8125   42.360   15.508   51.297   12.736 -8.937340 20.06719 
1 1 1   -6    5   88 o   86.841   7.5042   54.090   8.4844   56.922   14.215   52.522   10.575   87.827   11.943   85.856   9.0890 1.971626 15.00840 
1 1 1   -6    5   89 o   78.001   10.265   49.972   10.266   65.314   13.964   31.927   15.145   94.502   10.904   61.500   17.394 33.00257 20.52930 
1 1 1   -6    5   90 o  103.693   8.4047   80.046   11.665   79.548   15.365   80.724   17.922  104.066   10.895  103.319   12.801 0.7470932 16.80942 
1 1 1   -6    5   91 o   42.406   11.185   13.156   8.5264   12.902   11.070   13.525   13.369   41.652   15.150   43.160   16.458 -1.507500 22.36971 
1 1 1   -6    5   92 o   62.035   14.906   31.589   12.375   31.589   12.375   0.0000   0.0000   62.035   14.906  ?   ?       ?      ? 
1 1 1   -6    5   93 o   44.270   15.842   15.681   12.044   15.681   12.044   0.0000   0.0000   44.270   15.842  ?   ?       ?      ? 
1 1 1   -6    5   94 o   25.614   12.128  -9.3853   11.205  -9.3853   11.205   0.0000   0.0000   25.614   12.128  ?   ?       ?      ? 
1 1 1   -6    5   95 o   60.688   16.258   32.532   13.640   32.532   13.640   0.0000   0.0000   60.688   16.258  ?   ?       ?      ? 
1 1 1   -6    6    1 o  138.467   4.8880  125.900   8.5046  140.904   15.600  119.554   10.145  144.135   7.9870  132.800   5.6371 11.33461 9.775908 
1 1 1   -6    6    2 o  657.493   7.8245  2934.06   69.707  2891.60   97.625  2978.24   99.565  652.644   11.038  662.342   11.093 -9.698486 15.64910 
1 1 1   -6    6    3 o  565.268   6.9384  2167.68   53.141  2131.43   74.378  2205.49   75.954  560.442   9.7933  570.093   9.8315 -9.651184 13.87684 
1 1 1   -6    6    4 o  649.948   7.7510  2866.55   68.255  2927.69   97.717  2808.31   95.378  656.710   10.980  643.187   10.943 13.52356 15.50202 
1 1 1   -6    6    5 f  129.338   3.9374  113.358   6.8969  107.952   9.6572  118.985   9.8532  126.191   5.6472  132.485   5.4881 -6.293678 7.874711 
1 1 1   -6    6    6 o  342.712   4.9797  796.423   23.126  793.759   32.634  799.110   32.778  342.137   7.0386  343.288   7.0460 -1.150940 9.959343 
1 1 1   -6    6    7 o  644.937   9.5278  2862.16   79.096  2708.64  132.926  2946.31   98.415  631.077   15.543  658.797   11.024 -27.72021 19.05559 
1 1 1   -6    6    8 o  889.878   14.428  5382.87  173.987  5382.87  173.987   0.0000   0.0000  889.878   14.428  ?   ?       ?      ? 
1 1 1   -6    6    9 o  662.533   9.1373  2978.01   82.036  2978.01   82.036   0.0000   0.0000  662.533   9.1373  ?   ?       ?      ? 
1 1 1   -6    6   10 o  370.206   6.0290  929.135   30.246  929.135   30.246   0.0000   0.0000  370.206   6.0290  ?   ?       ?      ? 
1 1 1   -6    6   11 f  428.650   6.5455  1257.44   33.334  1269.42   38.833  1223.90   64.975  432.697   6.6228  424.603   11.292 8.093781 13.09110 
1 1 1   -6    6   12 o  400.205   6.1930  1061.30   29.038  1037.43   33.325  1136.59   59.182  391.181   6.2866  409.228   10.672 -18.04733 12.38592 
1 1 1   -6    6   13 o  561.395   6.9100  2135.95   52.539  2061.79   72.862  2216.28   75.830  551.256   9.7536  571.533   9.7908 -20.27747 13.82005 
1 1 1   -6    6   14 o  252.592   4.3595  432.446   14.920  444.186   21.248  421.030   20.954  255.974   6.1256  249.210   6.2045 6.763153 8.718919 
1 1 1   -6    6   15 o  311.030   4.7575  655.314   20.043  629.514   27.918  682.754   28.791  304.717   6.7609  317.343   6.6950 -12.62582 9.514912 
1 1 1   -6    6   16 o  776.740   9.0194  4096.06   94.935  4122.79  134.811  4069.76  133.713  779.252   12.766  774.227   12.745 5.024231 18.03888 
1 1 1   -6    6   17 o  390.320   5.3829  1032.57   28.466  1007.27   39.817  1059.03   40.713  385.431   7.6232  395.209   7.6020 -9.778473 10.76583 
1 1 1   -6    6   18 f  385.976   5.3475  1009.72   27.965  1032.26   39.979  988.122   39.133  390.193   7.5609  381.760   7.5643 8.433197 10.69509 
1 1 1   -6    6   19 o  704.389   8.3076  3364.14   79.267  3272.91  110.213  3461.89  114.090  694.508   11.710  714.270   11.787 -19.76263 16.61525 
1 1 1   -6    6   20 o  623.892   7.5170  2639.92   63.547  2674.35   90.593  2606.57   89.163  627.894   10.647  619.889   10.614 8.005005 15.03391 
1 1 1   -6    6   21 o  632.227   9.2835  2718.20   75.306  2729.85   92.742  2695.65  129.025  634.387   10.788  630.068   15.111 4.318848 18.56696 
1 1 1   -6    6   22 o  184.965   5.8583  231.380   14.627  238.206   21.792  225.784   19.733  187.437   8.5795  182.492   7.9794 4.944611 11.71660 
1 1 1   -6    6   23 o  700.020   10.097  3327.35   90.512  3329.70  111.139  3322.73  155.977  700.592   11.706  699.447   16.456 1.144775 20.19487 
1 1 1   -6    6   24 o  403.594   5.5408  1103.14   30.289  1144.91   43.647  1064.33   42.066  410.956   7.8375  396.231   7.8343 14.72479 11.08160 
1 1 1   -6    6   25 o  1250.07   13.943 10622.03  236.190 10719.90  336.113 10526.55  331.972  1255.75   19.751  1244.39   19.686 11.36279 27.88672 
1 1 1   -6    6   26 o  273.159   6.5278  505.752   24.164   0.0000   0.0000  505.752   24.164  ?   ?   273.159   6.5278      ?      ? 
1 1 1   -6    6   27 o  1169.63   13.105  9294.58  207.697  9406.68  296.047  9185.93  291.463  1176.56   18.568  1162.69   18.499 13.87463 26.20999 
1 1 1   -6    6   28 o  517.918   8.0746  1805.89   52.995  1781.64   64.194  1857.77   93.905  512.598   9.2414  523.237   13.244 -10.63892 16.14925 
1 1 1   -6    6   29 o  580.258   8.7875  2278.72   64.855  2268.01   78.999  2300.84  113.586  578.305   10.080  582.211   14.397 -3.906250 17.57494 
1 1 1   -6    6   30 o  611.664   7.4361  2537.19   61.634  2565.73   87.727  2509.37   86.610  615.059   10.525  608.268   10.507 6.791565 14.87227 
1 1 1   -6    6   31 o  892.371   12.507  5380.44  142.082  5500.18  249.132  5322.72  172.970  899.261   20.444  885.481   14.415 13.77954 25.01464 
1 1 1   -6    6   32 f  793.851   11.317  4323.30  115.767  4139.35  194.738  4423.84  143.969  780.347   18.415  807.355   13.159 -27.00751 22.63369 
1 1 1   -6    6   33 o  512.445   6.5616  1774.92   45.489  1894.53   66.656  1670.66   62.234  528.549   9.3062  496.341   9.2527 32.20721 13.12314 
1 1 1   -6    6   34 o  465.203   6.1283  1467.49   38.633  1475.34   54.796  1459.73   54.476  466.440   8.6691  463.966   8.6644 2.473480 12.25660 
1 1 1   -6    6   35 o  525.887   9.3559  1876.81   66.661  1829.16   93.240  1926.62   95.340  519.060   13.256  532.714   13.207 -13.65308 18.71182 
1 1 1   -6    6   36 o  311.044   9.7780  656.292   41.215  656.292   41.215   0.0000   0.0000  311.044   9.7780  ?   ?       ?      ? 
1 1 1   -6    6   37 o  590.153   7.2733  2362.86   58.165  2386.34   82.694  2339.87   81.828  593.054   10.290  587.252   10.282 5.801636 14.54658 
1 1 1   -6    6   38 o  373.263   5.3962  944.717   27.294  932.386   38.455  957.235   38.746  370.808   7.6528  375.718   7.6099 -4.910400 10.79242 
1 1 1   -6    6   39 o  757.278   10.919  3863.18  104.755  3998.80  185.942  3800.13  126.791  766.486   17.902  748.070   12.507 18.41687 21.83802 
1 1 1   -6    6   40 o  265.989   5.8769  479.690   19.829  480.434   34.840  479.334   24.116  266.092   9.6619  265.886   6.6931 0.2068481 11.75375 
1 1 1   -6    6   41 o  314.646   5.0153  671.094   21.380  690.645   30.559  652.349   29.923  319.134   7.0661  310.158   7.1193 8.975922 10.03069 
1 1 1   -6    6   42 o  436.102   5.9085  1290.23   34.918  1295.52   49.437  1284.98   49.325  436.993   8.3482  435.211   8.3634 1.782104 11.81691 
1 1 1   -6    6   43 o  549.652   6.9095  2050.76   51.464  2035.69   72.490  2066.08   73.077  547.616   9.7683  551.688   9.7747 -4.072144 13.81900 
1 1 1   -6    6   44 o  391.924   5.5608  1042.02   29.532  1056.81   42.022  1027.59   41.513  394.672   7.8569  389.176   7.8715 5.496185 11.12168 
1 1 1   -6    6   45 o  170.795   6.4490  197.844   14.926  197.844   14.926   0.0000   0.0000  170.795   6.4490  ?   ?       ?      ? 
1 1 1   -6    6   46 o  520.140   9.4023  1837.26   66.273  1837.26   66.273   0.0000   0.0000  520.140   9.4023  ?   ?       ?      ? 
1 1 1   -6    6   47 o  254.354   6.6873  438.903   23.050  438.903   23.050   0.0000   0.0000  254.354   6.6873  ?   ?       ?      ? 
1 1 1   -6    6   48 o  503.232   6.5259  1717.69   44.469  1795.43   64.389  1646.80   61.488  514.099   9.2424  492.365   9.2156 21.73468 13.05178 
1 1 1   -6    6   49 o  227.827   4.6270  352.213   14.284  348.520   20.250  355.870   20.152  226.636   6.5935  229.018   6.4933 -2.382172 9.254053 
1 1 1   -6    6   50 o   97.139   5.3668   64.124   7.0566   62.531   10.145   65.617   9.8216   95.963   7.8015   98.314   7.3720 -2.350677 10.73359 
1 1 1   -6    6   51 o  327.540   5.1437  728.212   22.828  712.467   32.039  744.446   32.533  323.942   7.2985  331.137   7.2500 -7.194733 10.28739 
1 1 1   -6    6   52 o  291.927   6.0496  583.139   22.589  566.911   38.741  591.498   27.804  288.682   9.9031  295.172   6.9511 -6.489990 12.09914 
1 1 1   -6    6   53 o  379.108   6.7382  968.149   32.541  1005.37   57.189  950.325   39.572  384.202   10.984  374.015   7.8076 10.18680 13.47631 
1 1 1   -6    6   54 o  336.725   5.2194  769.531   23.806  800.346   34.205  740.584   33.153  343.261   7.3533  330.190   7.4092 13.07056 10.43878 
1 1 1   -6    6   55 o  148.270   6.6975  149.283   13.457  149.283   13.457   0.0000   0.0000  148.270   6.6975  ?   ?       ?      ? 
1 1 1   -6    6   56 o  317.786   6.2686  690.056   25.452  677.919   43.863  696.218   31.252  315.451   10.261  320.121   7.2041 -4.669342 12.53728 
1 1 1   -6    6   57 o  301.063   5.0219  615.821   20.488  619.171   29.074  612.517   28.876  301.876   7.1071  300.251   7.0969 1.625183 10.04377 
1 1 1   -6    6   58 o  319.752   5.1324  694.800   22.238  705.380   31.617  684.441   31.284  322.163   7.2420  317.341   7.2746 4.821930 10.26478 
1 1 1   -6    6   59 o  316.975   5.1285  682.889   22.028  673.914   30.972  692.075   31.336  314.867   7.2588  319.083   7.2469 -4.216095 10.25704 
1 1 1   -6    6   60 o  297.275   5.0206  600.687   20.225  607.301   28.737  594.195   28.469  298.898   7.0947  295.653   7.1056 3.244263 10.04114 
1 1 1   -6    6   61 o  114.295   7.1082   96.610   9.7563  108.414   11.841   71.653   17.217  126.288   6.9189  102.302   12.419 23.98660 14.21646 
1 1 1   -6    6   62 o  189.850   5.9055  245.394   14.104  245.335   17.033  245.522   25.153  189.989   6.6158  189.712   9.7841 0.2770691 11.81091 
1 1 1   -6    6   63 o  278.567   6.0914  544.955   21.908  591.210   27.829  469.573   35.527  294.856   6.9647  262.278   9.9957 32.57803 12.18282 
1 1 1   -6    6   64 o  110.186   6.2707   82.695   9.0401   82.484   11.384   83.053   14.875  110.084   7.6308  110.288   9.9528 -0.2041702 12.54140 
1 1 1   -6    6   65 o  441.888   6.1031  1330.91   36.544  1313.52   51.325  1348.80   52.045  438.962   8.6281  444.815   8.6341 -5.853241 12.20625 
1 1 1   -6    6   66 o  178.146   4.8296  215.666   11.651  227.589   16.752  204.496   16.215  182.917   6.7580  173.375   6.9014 9.542664 9.659214 
1 1 1   -6    6   67 o  164.505   4.8426  183.940   10.784  196.220   15.503  172.427   15.011  169.831   6.7363  159.180   6.9588 10.65091 9.685167 
1 1 1   -6    6   68 o  126.709   5.2172  109.517   8.9439  104.058   12.777  114.762   12.524  123.585   7.6292  129.832   7.1184 -6.247025 10.43432 
1 1 1   -6    6   69 o  205.411   5.9402  289.124   15.505  284.478   27.010  291.407   18.935  203.918   9.7743  206.905   6.7534 -2.987701 11.88044 
1 1 1   -6    6   70 o  265.226   6.2048  479.397   20.809  484.147   36.829  477.169   25.220  265.792   10.225  264.659   7.0320 1.132294 12.40968 
1 1 1   -6    6   71 o  115.069   6.4490   83.662   9.5498  113.934   17.115   69.976   11.508  128.938   9.7952  101.201   8.3913 27.73726 12.89805 
1 1 1   -6    6   72 o  113.948   5.4921   88.586   8.4740   93.638   12.178   83.844   11.800  117.105   7.6736  110.791   7.8592 6.314178 10.98416 
1 1 1   -6    6   73 o  206.712   4.8341  291.483   13.541  286.700   19.083  296.332   19.216  204.998   6.8694  208.427   6.8034 -3.428848 9.668259 
1 1 1   -6    6   74 o  212.193   4.8266  307.343   13.875  318.263   19.745  296.691   19.501  215.934   6.7475  208.452   6.9034 7.482117 9.653267 
1 1 1   -6    6   75 o   83.824   6.5136   48.179   7.2957   38.034   9.9757   59.845   10.697   74.267   9.9121   93.381   8.4534 -19.11344 13.02725 
1 1 1   -6    6   76 o  189.503   6.2111  249.460   14.737  253.480   17.817  240.753   26.224  192.516   6.8293  186.490   10.377 6.025970 12.42227 
1 1 1   -6    6   77 o   97.467   5.8439   65.358   7.7185   65.768   10.891   64.943   10.940   97.783   8.2194   97.152   8.3095 0.6310654 11.68789 
1 1 1   -6    6   78 o  157.450   4.9039  169.997   10.460  175.688   14.857  164.403   14.729  160.086   6.8485  154.814   7.0209 5.272598 9.807882 
1 1 1   -6    6   79 o  175.130   5.8463  213.282   13.210  216.863   16.437  206.751   22.197  177.745   6.8240  172.514   9.4948 5.231750 11.69270 
1 1 1   -6    6   80 f  107.914   5.5107   80.498   8.0456   85.570   11.366   75.404   11.391  111.392   7.5294  104.436   8.0485 6.955887 11.02132 
1 1 1   -6    6   81 o   35.439   9.1518   7.4151   5.8253   10.170   8.1915   4.5964   8.2858   38.620   13.113   32.258   12.770 6.361584 18.30360 
1 1 1   -6    6   82 o  152.103   4.9433  159.586   10.181  151.049   14.178  168.673   14.629  147.873   7.0755  156.333   6.9052 -8.459961 9.886532 
1 1 1   -6    6   83 o   34.986   9.5131   6.5152   6.5549  -0.0115   11.108   10.002   8.1191   31.874   13.841   38.099   13.054 -6.225260 19.02620 
1 1 1   -6    6   84 o   99.924   8.0377   69.748   10.884   0.0000   0.0000   69.748   10.884  ?   ?    99.924   8.0377      ?      ? 
1 1 1   -6    6   85 o   51.803   9.0524   22.461   7.2870   5.0732   12.180   32.154   9.0942   36.469   15.095   67.138   9.9957 -30.66919 18.10475 
1 1 1   -6    6   86 o  127.716   6.6344  120.845   10.673  101.138   17.880  131.756   13.304  117.994   11.182  137.439   7.1431 -19.44505 13.26872 
1 1 1   -6    6   87 o   51.076   10.385   19.465   7.2696   25.551   12.559   16.398   8.9149   56.160   15.825   45.992   13.452 10.16798 20.76924 
1 1 1   -6    6   88 o  115.990   8.1627   98.967   12.748   96.871   17.036  101.634   19.218  115.092   10.923  116.888   12.133 -1.795563 16.32531 
1 1 1   -6    6   89 o  106.844   8.3630   83.262   11.985   71.861   15.695   99.209   18.563   98.283   11.784  115.406   11.869 -17.12266 16.72594 
1 1 1   -6    6   90 o   50.675   11.118   21.703   8.9671   28.017   11.640   12.484   14.065   58.729   14.669   42.621   16.712 16.10830 22.23634 
1 1 1   -6    6   91 o   46.152   11.415   17.115   8.7226   16.674   11.413   17.734   13.526   45.516   15.478   46.787   16.784 -1.271320 22.83092 
1 1 1   -6    6   92 o  104.014   11.189   80.952   15.771   80.952   15.771   0.0000   0.0000  104.014   11.189  ?   ?       ?      ? 
1 1 1   -6    6   93 o   49.109   16.235   20.709   12.565   20.709   12.565   0.0000   0.0000   49.109   16.235  ?   ?       ?      ? 
1 1 1   -6    6   94 o   58.640   16.320   30.426   13.444   30.426   13.444   0.0000   0.0000   58.640   16.320  ?   ?       ?      ? 
1 1 1   -6    6   95 o   45.845   16.587   18.534   13.244   18.534   13.244   0.0000   0.0000   45.845   16.587  ?   ?       ?      ? 
1 1 1   -6    7    1 o  683.438   8.0982  3168.72   74.987  3112.13  104.821  3228.04  107.320  677.193   11.422  689.683   11.483 -12.49030 16.19635 
1 1 1   -6    7    2 o  613.809   7.4224  2553.90   61.711  2639.73   88.888  2474.04   85.742  623.754   10.516  603.865   10.478 19.88934 14.84486 
1 1 1   -6    7    3 o  767.330   8.9301  3997.13   92.858  3987.34  131.000  4007.02  131.645  766.387   12.614  768.272   12.645 -1.885803 17.86026 
1 1 1   -6    7    4 o  599.792   8.9604  2434.72   68.299  2420.62   83.108  2464.05  119.876  597.325   10.267  602.260   14.688 -4.934998 17.92073 
1 1 1   -6    7    5 o  689.234   10.043  3246.32   88.608  3287.96  109.108  3165.65  151.855  696.047   11.567  682.422   16.421 13.62524 20.08598 
1 1 1   -6    7    6 o  827.192   11.709  4613.76  122.754  4546.75  148.689  4757.20  217.538  818.298   13.409  836.087   19.200 -17.78943 23.41862 
1 1 1   -6    7    7 o  501.403   6.3597  1704.24   43.202  1667.47   60.287  1743.05   61.939  495.848   8.9721  506.959   9.0159 -11.11044 12.71944 
1 1 1   -6    7    8 o  790.377   9.1649  4240.38   98.156  4290.10  139.718  4191.93  137.927  794.950   12.970  785.804   12.952 9.145874 18.32974 
1 1 1   -6    7    9 o  696.211   9.4919  3311.74   78.181  3334.03   90.815  3247.92  153.657  701.111   9.5584  691.312   16.402 9.799072 18.98387 
1 1 1   -6    7   10 f  462.580   6.8804  1441.79   37.481  1432.13   43.286  1470.73   74.928  459.621   6.9496  465.539   11.877 -5.917755 13.76079 
1 1 1   -6    7   11 o  225.033   4.7151  327.032   12.684  310.284   14.622  377.951   25.495  213.966   5.0428  236.100   7.9685 -22.13338 9.430108 
1 1 1   -6    7   12 o  586.264   10.137  2333.70   80.529  2336.90  114.664  2330.59  113.122  586.653   14.423  585.875   14.248 0.7773438 20.27413 
1 1 1   -6    7   13 o  1308.97   29.304 11709.18  519.810 11709.18  519.810   0.0000   0.0000  1308.97   29.304  ?   ?       ?      ? 
1 1 1   -6    7   14 o  736.423   10.534  3652.47   98.610  3597.35  119.756  3768.56  173.788  728.128   12.137  744.719   17.220 -16.59125 21.06769 
1 1 1   -6    7   15 o  573.110   8.5853  2236.97   63.174  2255.17   77.933  2202.10  107.885  576.650   9.9730  569.570   13.978 7.079285 17.17065 
1 1 1   -6    7   16 o  990.878   13.752  6717.36  175.139  6810.50  216.645  6541.67  297.549  1001.41   15.964  980.348   22.397 21.05975 27.50458 
1 1 1   -6    7   17 o  1388.59   18.909 13171.54  336.089 13221.13  412.930 13074.24  578.478  1393.92   21.860  1383.26   30.860 10.66455 37.81845 
1 1 1   -6    7   18 o  691.642   8.1961  3244.92   76.818  3223.61  108.162  3266.60  109.118  689.352   11.578  693.932   11.604 -4.580444 16.39224 
1 1 1   -6    7   19 o  676.332   9.9020  3123.76   85.781  3045.18  146.828  3164.48  105.696  669.644   16.180  683.019   11.419 -13.37445 19.80403 
1 1 1   -6    7   20 o  1079.21   14.936  7989.92  207.262  7700.71  350.827  8144.98  256.883  1063.41   24.345  1095.01   17.312 -31.59814 29.87250 
1 1 1   -6    7   21 o  229.104   4.3839  355.324   13.597  333.931   18.899  378.281   19.578  221.963   6.2830  236.245   6.1153 -14.28232 8.767753 
1 1 1   -6    7   23 o  814.019   9.4156  4495.30  103.850  4426.06  145.434  4567.34  148.341  807.628   13.288  820.411   13.343 -12.78314 18.83111 
1 1 1   -6    7   24 o  590.098   7.2210  2359.79   57.723  2295.73   80.339  2428.15   82.991  581.826   10.189  598.370   10.235 -16.54315 14.44209 
1 1 1   -6    7   25 o  671.550   8.0050  3058.96   72.848  3042.78  102.677  3075.37  103.372  669.762   11.313  673.339   11.329 -3.576721 16.01005 
1 1 1   -6    7   26 o  376.059   6.6550  958.198   31.732  956.799   38.568  961.130   55.826  375.686   7.5756  376.432   10.944 -0.7464294 13.31002 
1 1 1   -6    7   27 f  1056.28   11.941  7570.27  170.810  7335.12  236.350  7827.36  247.133  1039.15   16.784  1073.42   16.990 -34.26758 23.88192 
1 1 1   -6    7   28 o  701.733   10.199  3380.55   92.322  3217.70  154.696  3470.64  115.059  688.240   16.587  715.226   11.871 -26.98578 20.39705 
1 1 1   -6    7   29 o  890.358   20.399  5393.13  246.131  5393.13  246.131   0.0000   0.0000  890.358   20.399  ?   ?       ?      ? 
1 1 1   -6    7   30 o  712.236   11.873  3446.13  114.577  3503.07  163.807  3391.58  160.322  717.990   16.836  706.483   16.746 11.50702 23.74591 
1 1 1   -6    7   31 o  529.064   9.3780  1899.77   67.229  1864.22   94.338  1936.46   95.831  524.034   13.285  534.094   13.240 -10.05994 18.75603 
1 1 1   -6    7   32 o  788.904   13.062  4225.16  139.642   0.0000   0.0000  4225.16  139.642  ?   ?   788.904   13.062      ?      ? 
1 1 1   -6    7   33 o  847.495   9.7882  4876.32  112.396  4962.29  160.758  4794.10  157.206  854.796   13.878  840.194   13.807 14.60181 19.57645 
1 1 1   -6    7   34 o  207.648   4.5113  292.272   12.692  293.875   18.154  290.739   17.751  208.204   6.4341  207.092   6.3252 1.112061 9.022552 
1 1 1   -6    7   35 o  230.055   4.5760  358.765   14.249  335.945   19.973  382.422   20.336  222.602   6.6210  237.508   6.3183 -14.90579 9.151974 
1 1 1   -6    7   36 o  606.034   7.4331  2492.42   61.045  2489.71   86.428  2495.11   86.233  605.705   10.530  606.364   10.494 -0.6596680 14.86621 
1 1 1   -6    7   37 o  438.596   7.3244  1299.53   40.747  1322.39   71.880  1288.70   49.461  441.305   12.020  435.888   8.3735 5.416870 14.64875 
1 1 1   -6    7   38 o  756.143   10.939  3902.59  105.796  3846.51  182.092  3931.16  129.987  751.546   17.879  760.739   12.609 -9.192688 21.87825 
1 1 1   -6    7   39 o  458.611   6.1154  1426.33   37.998  1458.02   54.405  1396.15   53.094  463.581   8.6602  453.641   8.6368 9.940155 12.23087 
1 1 1   -6    7   40 o  375.321   5.4392  955.229   27.660  933.002   38.761  978.291   39.483  370.873   7.7124  379.770   7.6720 -8.896820 10.87848 
1 1 1   -6    7   41 o  253.123   4.6933  434.342   16.096  444.108   23.034  425.024   22.500  255.903   6.6423  250.344   6.6323 5.558365 9.386591 
1 1 1   -6    7   42 o  370.271   7.6707  930.151   38.489  930.151   38.489   0.0000   0.0000  370.271   7.6707  ?   ?       ?      ? 
1 1 1   -6    7   43 o  441.738   7.4570  1350.54   42.269  1408.26   52.617  1245.51   70.975  455.499   8.5243  427.976   12.238 27.52280 14.91404 
1 1 1   -6    7   44 o  275.773   6.8486  515.924   25.594  515.924   25.594   0.0000   0.0000  275.773   6.8486  ?   ?       ?      ? 
1 1 1   -6    7   45 o  598.186   9.0623  2478.25   70.268  2593.50   88.593  2282.78  115.379  617.703   10.584  578.669   14.713 39.03369 18.12454 
1 1 1   -6    7   46 o  267.821   4.7900  486.185   17.376  505.343   25.038  468.387   24.132  272.905   6.7703  262.737   6.7779 10.16873 9.580034 
1 1 1   -6    7   47 o  328.606   5.1345  732.933   22.864  731.068   32.404  734.782   32.265  328.188   7.2861  329.024   7.2363 -0.8366089 10.26900 
1 1 1   -6    7   48 o  344.817   5.2421  807.196   24.495  804.509   34.671  809.874   34.611  344.242   7.4322  345.392   7.3946 -1.149323 10.48418 
1 1 1   -6    7   49 o  268.583   4.8050  489.087   17.469  457.786   24.303  522.551   25.129  259.694   6.9059  277.473   6.6829 -17.77856 9.610016 
1 1 1   -6    7   50 o  360.104   5.3719  879.577   26.198  917.711   37.826  844.421   36.319  367.596   7.5934  352.612   7.6006 14.98447 10.74378 
1 1 1   -6    7   51 o  177.006   5.6036  209.403   12.651  223.015   22.310  202.953   15.358  181.101   9.0907  172.910   6.5545 8.190811 11.20723 
1 1 1   -6    7   52 o  242.257   5.8226  403.658   18.003  384.402   30.837  413.616   22.175  237.690   9.5738  246.824   6.6296 -9.134171 11.64516 
1 1 1   -6    7   53 o  251.389   4.7627  429.127   16.220  415.245   22.837  443.259   23.042  247.280   6.8149  255.498   6.6550 -8.218292 9.525318 
1 1 1   -6    7   54 o  359.965   6.6413  886.525   30.546  867.945   52.587  895.985   37.525  356.828   10.875  363.102   7.6262 -6.273926 13.28265 
1 1 1   -6    7   55 o  297.639   5.0228  600.851   20.242  630.112   29.351  574.313   27.952  304.536   7.1122  290.741   7.0945 13.79425 10.04566 
1 1 1   -6    7   56 o  133.915   4.8951  122.159   8.8347  106.793   12.424  137.877   12.566  125.352   7.3139  142.477   6.5081 -17.12480 9.790205 
1 1 1   -6    7   57 o  272.775   4.8732  505.504   18.011  493.158   25.302  518.185   25.644  269.395   6.9309  276.155   6.8524 -6.760071 9.746387 
1 1 1   -6    7   58 o  232.183   4.7333  366.243   14.891  371.026   21.243  361.622   20.881  233.672   6.7084  230.695   6.6792 2.977661 9.466502 
1 1 1   -6    7   59 o  281.719   6.2316  548.722   22.338  565.440   27.479  516.156   38.353  288.405   7.0311  275.034   10.290 13.37070 12.46312 
1 1 1   -6    7   60 o   65.677   9.6466   33.605   7.8396   39.349   9.4910   21.269   13.908   75.981   9.2177   55.373   16.949 20.60792 19.29319 
1 1 1   -6    7   61 o  169.557   6.7784  195.454   15.575  195.454   15.575   0.0000   0.0000  169.557   6.7784  ?   ?       ?      ? 
1 1 1   -6    7   62 o  299.370   5.0716  609.626   20.575  604.069   29.011  615.249   29.183  297.996   7.1840  300.744   7.1607 -2.748779 10.14329 
1 1 1   -6    7   63 o   96.193   6.8068   64.464   8.5711   68.984   11.032   57.582   13.613  100.638   8.0896   91.747   10.949 8.891190 13.61352 
1 1 1   -6    7   64 f  161.480   4.9270  177.456   10.767  165.651   15.137  189.543   15.317  156.025   7.1593  166.935   6.7708 -10.91051 9.853937 
1 1 1   -6    7   65 o  116.457   5.3358   92.497   8.4062   87.263   11.977   97.578   11.802  113.184   7.8086  119.729   7.2737 -6.544800 10.67152 
1 1 1   -6    7   66 o  270.045   4.9836  496.129   18.227  473.487   25.499  519.787   26.065  263.733   7.1347  276.358   6.9599 -12.62518 9.967145 
1 1 1   -6    7   67 o  240.916   4.8867  395.000   15.952  401.054   22.793  389.189   22.332  242.722   6.9296  239.111   6.8920 3.611343 9.773393 
1 1 1   -6    7   68 o   48.692   9.5717   17.024   6.5723   14.387   9.9669   19.053   8.7422   45.794   14.403   51.590   12.611 -5.796791 19.14342 
1 1 1   -6    7   69 o  130.757   7.2876  116.544   12.913   0.0000   0.0000  116.544   12.913  ?   ?   130.757   7.2876      ?      ? 
1 1 1   -6    7   70 o  120.808   5.4575  100.320   8.8577   86.294   12.634  113.878   12.422  112.376   8.2966  129.240   7.0925 -16.86425 10.91498 
1 1 1   -6    7   71 o  187.267   4.8659  239.184   12.347  235.750   17.519  242.572   17.403  185.918   6.9535  188.615   6.8086 -2.696457 9.731843 
1 1 1   -6    7   72 o   98.027   5.9178   65.709   7.8550   69.314   11.332   62.374   10.898  100.619   8.3111   95.435   8.4264 5.183487 11.83552 
1 1 1   -6    7   73 o  107.679   5.6031   79.309   8.1627   85.799   11.735   73.226   11.361  111.968   7.7342  103.389   8.1092 8.579666 11.20614 
1 1 1   -6    7   74 o  123.964   6.6077  100.213   10.275   91.897   12.175  120.796   19.154  115.811   7.7579  132.118   10.699 -16.30652 13.21533 
1 1 1   -6    7   75 o  187.945   4.8785  241.484   12.402  262.431   17.824  221.824   17.268  195.887   6.7147  180.003   7.0790 15.88472 9.757028 
1 1 1   -6    7   76 o   93.164   5.8736   59.732   7.4047   64.128   10.586   55.520   10.361   96.557   8.0903   89.770   8.5172 6.786377 11.74716 
1 1 1   -6    7   77 o  107.522   5.5020   79.504   7.9932   87.994   11.489   71.539   11.128  113.142   7.4934  101.902   8.0583 11.23978 11.00395 
1 1 1   -6    7   78 o   71.856   7.3850   37.060   6.7859   26.663   9.5009   47.888   9.6955   60.527   12.007   83.186   8.6008 -22.65946 14.76992 
1 1 1   -6    7   79 o  137.739   5.8935  130.158   10.614  126.707   13.288  136.242   17.643  135.613   7.2304  139.864   9.3088 -4.251236 11.78694 
1 1 1   -6    7   80 o  122.202   5.2207  103.233   8.6389  100.179   12.328  106.179   12.109  120.369   7.5578  124.035   7.2043 -3.666176 10.44140 
1 1 1   -6    7   81 o   42.760   8.8872   13.351   5.7442   8.1169   8.2783   18.211   7.9771   36.011   13.101   49.509   12.012 -13.49706 17.77441 
1 1 1   -6    7   82 o  134.152   6.4448  131.802   10.858  110.076   18.327  143.552   13.478  124.255   10.884  144.049   6.9046 -19.79438 12.88963 
1 1 1   -6    7   83 o   70.818   9.6295   40.932   8.0960   29.713   14.687   45.829   9.7033   60.927   17.094   80.708   8.8720 -19.78083 19.25900 
1 1 1   -6    7   84 o  100.441   8.0292   70.719   10.929   0.0000   0.0000   70.719   10.929  ?   ?   100.441   8.0292      ?      ? 
1 1 1   -6    7   85 o   54.336   9.8028   20.010   7.0584   34.661   12.601   13.311   8.5205   66.623   14.379   42.048   13.328 24.57511 19.60562 
1 1 1   -6    7   86 o   49.843   11.549   18.979   9.0569   13.799   11.920   26.054   13.930   43.476   15.735   56.210   16.910 -12.73374 23.09845 
1 1 1   -6    7   87 f   50.798   11.786   20.883   9.2176   20.584   11.712   21.371   14.941   50.480   15.570   51.116   17.698 -0.6357803 23.57210 
1 1 1   -6    7   88 f   50.293   11.877   20.348   9.2744   18.684   11.705   23.155   15.202   48.124   15.658   52.462   17.863 -4.337406 23.75417 
1 1 1   -6    7   89 o   85.591   9.9452   54.777   10.929   38.875   14.033   79.283   17.421   68.888   15.417  102.294   12.567 -33.40532 19.89045 
1 1 1   -6    7   90 o   53.445   12.037   23.447   9.6420   19.034   12.255   30.620   15.622   48.018   16.040   58.871   17.952 -10.85287 24.07352 
1 1 1   -6    7   91 o  117.832   8.2864  103.543   13.144   92.745   17.422  117.806   20.024  110.926   11.590  124.737   11.846 -13.81035 16.57279 
1 1 1   -6    7   92 o   93.729   12.264   67.567   15.578   67.567   15.578   0.0000   0.0000   93.729   12.264  ?   ?       ?      ? 
1 1 1   -6    7   93 o   34.454   14.612   5.1412   11.842   5.1412   11.842   0.0000   0.0000   34.454   14.612  ?   ?       ?      ? 
1 1 1   -6    7   94 o   44.985   17.035   17.599   14.259   17.599   14.259   0.0000   0.0000   44.985   17.035  ?   ?       ?      ? 
1 1 1   -6    8    1 o  513.453   6.4924  1787.26   45.168  1766.03   63.268  1809.33   64.504  510.345   9.1483  516.561   9.2148 -6.216339 12.98472 
1 1 1   -6    8    2 o  443.480   8.3264  1333.41   50.039   0.0000   0.0000  1333.41   50.039  ?   ?   443.480   8.3264      ?      ? 
1 1 1   -6    8    3 o  699.932   8.2762  3323.33   78.499  3344.89  111.324  3302.02  110.708  702.190   11.699  697.675   11.710 4.514771 16.55245 
1 1 1   -6    8    4 o  465.402   6.0662  1468.54   38.258  1480.31   54.169  1456.84   54.041  467.262   8.5548  463.541   8.6031 3.720673 12.13249 
1 1 1   -6    8    5 o  505.151   6.4196  1730.26   43.945  1736.51   62.116  1723.99   62.179  506.066   9.0576  504.237   9.0997 1.829102 12.83921 
1 1 1   -6    8    6 o  636.490   7.6531  2747.74   66.010  2743.64   93.143  2751.88   93.561  636.014   10.807  636.966   10.839 -0.9523926 15.30613 
1 1 1   -6    8    7 o  977.937   11.094  6491.73  146.990  6384.79  205.486  6603.79  210.351  969.698   15.637  986.176   15.740 -16.47723 22.18729 
1 1 1   -6    8    8 o  997.788   11.302  6758.75  152.796  6656.52  213.789  6865.49  218.459  990.084   15.934  1005.49   16.033 -15.40771 22.60419 
1 1 1   -6    8    9 o  553.641   6.8853  2078.39   51.655  2063.18   72.607  2093.98   73.504  551.591   9.7135  555.690   9.7611 -4.099365 13.77065 
1 1 1   -6    8   10 o  164.493   4.9507  183.624   10.544  184.129   13.113  182.699   17.737  164.824   5.8708  164.163   7.9733 0.6616516 9.901473 
1 1 1   -6    8   11 o  888.615   11.727  5341.58  122.126  5320.63  140.805  5405.19  245.377  885.629   11.732  891.601   20.309 -5.972351 23.45395 
1 1 1   -6    8   12 o  578.583   8.1769  2274.29   55.863  2277.95   64.737  2263.61  110.546  579.657   8.2413  577.508   14.125 2.149109 16.35377 
1 1 1   -6    8   13 o  265.931   5.2260  489.881   16.653  502.510   19.576  456.816   31.676  272.298   5.3053  259.565   9.0055 12.73297 10.45199 
1 1 1   -6    8   14 o  353.639   5.8574  839.157   24.495  830.223   28.321  865.683   48.798  349.990   5.9713  357.288   10.079 -7.297485 11.71473 
1 1 1   -6    8   15 o  926.643   12.978  5903.29  155.426  6073.96  194.255  5599.63  259.106  945.892   15.155  907.395   21.072 38.49756 25.95536 
1 1 1   -6    8   16 f  283.414   5.6655  536.141   20.799  517.106   25.651  572.683   35.539  276.203   6.8531  290.625   9.0238 -14.42209 11.33110 
1 1 1   -6    8   17 o  1003.27   13.908  6724.20  176.166  6526.92  211.938  7165.20  316.873  980.424   15.952  1026.10   22.788 -45.68164 27.81668 
1 1 1   -6    8   18 o  229.668   9.1867  357.653   28.592  357.653   28.592   0.0000   0.0000  229.668   9.1867  ?   ?       ?      ? 
1 1 1   -6    8   19 o  506.518   6.4580  1738.72   44.315  1701.53   61.786  1778.12   63.596  500.944   9.1015  512.092   9.1642 -11.14828 12.91591 
1 1 1   -6    8   20 o  671.096   8.0072  3054.68   72.816  3085.02  103.571  3025.01  102.395  674.391   11.333  667.800   11.315 6.590149 16.01443 
1 1 1   -6    8   21 o  542.369   6.7981  1994.51   49.961  2020.94   71.158  1968.80   70.164  545.913   9.6187  538.825   9.6092 7.087708 13.59618 
1 1 1   -6    8   22 o  424.395   5.7497  1220.98   33.065  1234.60   47.029  1207.67   46.498  426.735   8.1326  422.054   8.1299 4.680725 11.49933 
1 1 1   -6    8   23 o  301.706   6.9029  615.746   28.081  706.370   40.810  534.247   38.701  322.749   9.3307  280.664   10.175 42.08496 13.80578 
1 1 1   -6    8   24 o  746.201   12.399  3783.57  125.367  3846.36  178.186  3722.02  176.418  752.338   17.477  740.064   17.591 12.27435 24.79730 
1 1 1   -6    8   25 o  329.895   6.9720  738.106   31.168  735.844   43.965  740.391   44.192  329.387   9.8496  330.402   9.8700 -1.015442 13.94390 
1 1 1   -6    8   26 o  260.210   6.3405  459.148   22.358  461.212   31.728  457.113   31.510  260.791   8.9777  259.630   8.9560 1.160950 12.68106 
1 1 1   -6    8   27 o  594.070   8.9353  2425.80   68.534  2292.75  114.407  2500.27   85.591  581.038   14.530  607.102   10.404 -26.06396 17.87051 
1 1 1   -6    8   28 f  891.230   10.233  5391.90  123.554  5273.28  172.289  5517.50  177.281  881.149   14.429  901.310   14.515 -20.16040 20.46605 
1 1 1   -6    8   29 o  380.046   5.4439  979.301   28.037  971.444   39.520  987.261   39.780  378.511   7.7048  381.580   7.6930 -3.069366 10.88789 
1 1 1   -6    8   30 o  496.126   9.0932  1669.51   61.135  1669.51   61.135   0.0000   0.0000  496.126   9.0932  ?   ?       ?      ? 
1 1 1   -6    8   31 o  677.049   8.1047  3106.20   74.296  2979.15  102.564  3246.47  107.771  662.510   11.424  691.588   11.499 -29.07788 16.20932 
1 1 1   -6    8   32 o  154.590   4.6084  162.239   9.6394  156.870   13.872  167.252   13.404  152.110   6.7299  157.069   6.2975 -4.959045 9.216798 
1 1 1   -6    8   33 o  462.077   6.1238  1447.78   38.339  1474.11   54.857  1422.64   53.602  466.182   8.6835  457.973   8.6370 8.209503 12.24751 
1 1 1   -6    8   34 o  321.978   5.0612  702.870   22.079  683.209   31.028  723.036   31.424  317.416   7.2134  326.541   7.1014 -9.124756 10.12241 
1 1 1   -6    8   35 o  653.141   9.6903  2894.86   80.613  2912.12  140.646  2886.42   98.375  654.253   15.863  652.030   11.134 2.222412 19.38054 
1 1 1   -6    8   36 o  803.312   11.524  4337.43  117.105  4546.05  209.030  4242.00  141.373  816.580   18.890  790.045   13.205 26.53406 23.04761 
1 1 1   -6    8   37 o  855.101   9.8928  4969.30  114.597  4847.10  159.559  5099.48  164.692  844.261   13.946  865.942   14.035 -21.68109 19.78562 
1 1 1   -6    8   38 o  759.563   8.9372  3921.72   91.992  3915.07  130.028  3928.38  130.164  758.918   12.643  760.208   12.635 -1.290344 17.87442 
1 1 1   -6    8   39 o  715.226   8.5030  3476.79   82.410  3503.46  117.170  3450.68  115.931  717.936   12.043  712.515   12.007 5.421631 17.00593 
1 1 1   -6    8   40 o  372.122   5.4336  939.565   27.399  940.287   38.900  938.854   38.599  372.263   7.7112  371.982   7.6572 0.2801208 10.86714 
1 1 1   -6    8   41 o  272.297   5.9948  493.893   20.621  478.125   24.807  529.157   37.099  265.479   6.8953  279.115   9.8083 -13.63525 11.98950 
1 1 1   -6    8   42 f  434.787   8.4062  1283.37   49.529  1283.37   49.529   0.0000   0.0000  434.787   8.4062  ?   ?       ?      ? 
1 1 1   -6    8   43 o  237.910   5.5331  382.909   17.107  379.667   21.312  388.781   28.683  236.559   6.6483  239.261   8.8465 -2.701416 11.06621 
1 1 1   -6    8   44 o  294.376   4.9379  587.970   19.690  564.872   27.645  611.750   28.051  288.504   7.0711  300.249   6.8943 -11.74448 9.875813 
1 1 1   -6    8   45 f  313.763   5.0568  668.220   21.500  667.655   30.545  668.774   30.268  313.629   7.1869  313.897   7.1156 -0.2681885 10.11354 
1 1 1   -6    8   46 o  465.020   6.2059  1469.27   39.106  1475.93   55.588  1462.75   55.026  466.060   8.8015  463.981   8.7515 2.079407 12.41190 
1 1 1   -6    8   47 f  341.087   5.2480  788.863   24.240  823.881   35.056  756.781   33.554  348.329   7.4266  333.844   7.4169 14.48505 10.49594 
1 1 1   -6    8   48 o  245.925   4.7301  410.564   15.754  391.845   22.164  429.678   22.397  240.251   6.8078  251.599   6.5689 -11.34749 9.460241 
1 1 1   -6    8   49 o  232.078   4.7254  364.957   14.845  380.689   21.618  350.919   20.421  236.798   6.7368  227.358   6.6281 9.439957 9.450708 
1 1 1   -6    8   50 o  187.621   5.6745  242.277   13.521  230.328   23.376  248.285   16.575  183.999   9.3752  191.244   6.3956 -7.245544 11.34893 
1 1 1   -6    8   51 f  110.317   5.2241   82.473   7.7904   85.485   11.505   79.921   10.587  112.166   7.5689  108.468   7.2026 3.697601 10.44822 
1 1 1   -6    8   52 o  347.140   6.6291  838.166   29.462  763.006   49.499  879.403   36.665  334.544   10.918  359.736   7.5211 -25.19165 13.25817 
1 1 1   -6    8   53 o  312.350   5.1135  661.980   21.624  624.123   30.000  702.919   31.198  303.059   7.3048  321.640   7.1576 -18.58087 10.22701 
1 1 1   -6    8   54 f  165.671   4.7444  186.411   10.649  191.676   15.172  181.300   14.951  167.979   6.6653  163.363   6.7535 4.615601 9.488722 
1 1 1   -6    8   55 o  155.135   4.7701  163.403   10.023  166.918   14.461  160.155   13.904  156.736   6.8087  153.535   6.6826 3.200195 9.540156 
1 1 1   -6    8   56 o  226.352   4.7127  348.196   14.453  343.769   20.556  352.524   20.325  224.921   6.7440  227.783   6.5844 -2.861389 9.425309 
1 1 1   -6    8   57 o  110.708   5.3767   83.262   8.0588   88.469   11.603   78.410   11.201  114.052   7.5076  107.363   7.6988 6.689445 10.75336 
1 1 1   -6    8   58 o  418.007   7.3001  1200.42   38.929  1216.11   47.788  1169.48   67.116  422.628   8.3441  413.387   11.981 9.241516 14.60017 
1 1 1   -6    8   59 o  207.450   4.7626  291.762   13.365  316.791   19.433  269.295   18.412  215.879   6.6426  199.021   6.8267 16.85794 9.525120 
1 1 1   -6    8   60 o  338.959   7.5314  781.845   34.594  781.845   34.594   0.0000   0.0000  338.959   7.5314  ?   ?       ?      ? 
1 1 1   -6    8   61 o  164.374   4.8367  183.977   10.756  172.101   15.234  195.782   15.188  159.057   7.0678  169.690   6.6048 -10.63289 9.673495 
1 1 1   -6    8   62 o  109.784   6.4715   83.121   9.3923   86.683   12.176   77.888   14.759  112.811   7.9646  106.756   10.202 6.055031 12.94291 
1 1 1   -6    8   63 o  212.040   4.7959  305.786   13.773  292.295   19.326  319.712   19.635  207.275   6.8803  216.804   6.6831 -9.528183 9.591762 
1 1 1   -6    8   64 o  138.855   5.0178  131.543   9.4113  119.704   13.335  143.293   13.285  132.586   7.4217  145.124   6.7551 -12.53836 10.03554 
1 1 1   -6    8   65 o  100.237   5.7891   68.352   7.8543   72.441   11.436   64.701   10.806  103.068   8.1875   97.406   8.1866 5.661835 11.57829 
1 1 1   -6    8   66 o  181.804   4.9000  222.983   11.999  260.520   17.872  192.177   16.191  195.630   6.7416  167.978   7.1127 27.65205 9.799954 
1 1 1   -6    8   67 o  151.702   6.5174  167.937   12.218  128.761   20.743  188.748   15.119  136.912   11.180  166.492   6.7011 -29.57950 13.03472 
1 1 1   -6    8   68 o  206.753   6.2668  295.895   16.089  283.375   29.018  301.452   19.333  203.158   10.540  210.348   6.7821 -7.190964 12.53366 
1 1 1   -6    8   69 o   85.954   6.5772   51.091   7.5802   43.465   10.865   58.322   10.580   79.564   10.077   92.344   8.4548 -12.78081 13.15435 
1 1 1   -6    8   70 o  174.142   6.9488  206.916   16.398  206.916   16.398   0.0000   0.0000  174.142   6.9488  ?   ?       ?      ? 
1 1 1   -6    8   71 o  205.624   4.8713  288.707   13.572  285.793   19.297  291.559   19.091  204.581   6.9607  206.667   6.8166 -2.086060 9.742546 
1 1 1   -6    8   72 o  163.314   6.2149  177.705   12.851  168.441   15.434  198.647   23.206  156.935   7.2572  169.693   10.091 -12.75749 12.42983 
1 1 1   -6    8   73 o  128.098   5.3571  112.329   9.2837  103.544   12.921  121.705   13.348  122.890   7.7586  133.305   7.3892 -10.41437 10.71426 
1 1 1   -6    8   74 o   73.185   7.0085   37.227   6.9196   34.672   10.026   39.551   9.5618   70.688   10.467   75.682   9.3233 -4.993790 14.01709 
1 1 1   -6    8   75 o  221.981   4.8641  337.768   14.631  334.578   20.762  340.914   20.620  220.919   6.9350  223.043   6.8222 -2.123795 9.728177 
1 1 1   -6    8   76 o   75.736   6.6305   39.750   6.8011   41.448   9.8045   38.175   9.4422   77.296   9.3602   74.175   9.3936 3.120338 13.26098 
1 1 1   -6    8   77 o  153.040   4.9810  161.097   10.302  145.945   14.408  176.947   14.736  145.591   7.3027  160.488   6.7759 -14.89702 9.962034 
1 1 1   -6    8   78 o  149.870   5.8028  153.096   11.399  146.005   14.262  165.642   18.970  145.516   7.2324  154.225   9.0766 -8.709885 11.60567 
1 1 1   -6    8   79 o  106.356   5.5629   78.417   8.0166   78.574   11.437   78.266   11.240  106.441   7.9288  106.271   7.8050 0.1705933 11.12583 
1 1 1   -6    8   80 o  150.887   6.0995  155.634   11.670  168.749   20.844  149.647   14.084  154.675   9.9446  147.099   7.0655 7.575943 12.19902 
1 1 1   -6    8   81 o  162.173   6.1770  186.184   12.664  179.222   22.066  189.604   15.465  158.858   10.250  165.488   6.8961 -6.630096 12.35396 
1 1 1   -6    8   82 o   72.981   8.8985   40.675   7.9028   36.043   13.715   42.977   9.6693   67.953   15.267   78.010   9.1466 -10.05768 17.79694 
1 1 1   -6    8   83 o   73.934   9.4235   38.856   9.4415   0.0000   0.0000   38.856   9.4415  ?   ?    73.934   9.4235      ?      ? 
1 1 1   -6    8   84 o   73.992   8.7671   41.019   7.9457   40.785   13.977   41.131   9.6582   72.047   14.811   75.937   9.3856 -3.889938 17.53423 
1 1 1   -6    8   85 o   74.325   10.344   41.653   10.141   28.536   13.240   60.268   15.773   59.060   16.101   89.590   12.992 -30.52997 20.68860 
1 1 1   -6    8   86 o   41.972   11.245   11.127   8.8040   6.3900   11.443   17.998   13.782   36.193   14.768   47.751   16.961 -11.55783 22.48945 
1 1 1   -6    8   87 o   93.587   8.9931   65.226   11.310   58.162   14.871   74.916   17.418   87.843   12.493   99.330   12.940 -11.48736 17.98626 
1 1 1   -6    8   88 o   37.735   10.763   7.8169   8.7109   11.884   11.291   1.8384   13.690   40.679   15.211   34.792   15.232 5.886932 21.52667 
1 1 1   -6    8   89 o  127.210   8.3021  116.529   13.896   85.307   17.891  163.998   22.061  105.811   12.478  148.608   10.955 -42.79640 16.60413 
1 1 1   -6    8   90 o   60.039   15.999   30.789   13.252   30.789   13.252   0.0000   0.0000   60.039   15.999  ?   ?       ?      ? 
1 1 1   -6    8   92 o   27.960   12.910  -4.6599   11.437  -4.6599   11.437   0.0000   0.0000   27.960   12.910  ?   ?       ?      ? 
1 1 1   -6    8   93 o   78.419   14.709   52.059   15.057   52.059   15.057   0.0000   0.0000   78.419   14.709  ?   ?       ?      ? 
1 1 1   -6    8   94 o   34.824   14.976   5.8540   12.753   5.8540   12.753   0.0000   0.0000   34.824   14.976  ?   ?       ?      ? 
1 1 1   -6    8   95 o   57.375   17.072   32.329   14.256   32.329   14.256   0.0000   0.0000   57.375   17.072  ?   ?       ?      ? 
1 1 1   -6    9    1 o  728.896   10.477  3581.62   97.104  3535.38  118.015  3678.54  170.863  721.892   12.064  735.900   17.134 -14.00818 20.95452 
1 1 1   -6    9    2 o  527.750   8.0937  1870.71   54.252  1837.09   65.786  1942.20   95.919  520.508   9.3265  534.992   13.231 -14.48346 16.18737 
1 1 1   -6    9    3 o  566.989   8.5344  2159.16   61.460  2119.73   74.523  2243.01  108.675  559.094   9.8361  574.883   13.950 -15.78876 17.06883 
1 1 1   -6    9    4 o  518.183   8.0237  1834.96   53.400  1865.01   66.041  1778.21   90.760  524.451   9.2924  511.916   13.083 12.53534 16.04731 
1 1 1   -6    9    5 o  722.374   10.387  3509.69   95.271  3450.77  115.533  3634.90  168.419  713.210   11.954  731.537   16.989 -18.32666 20.77315 
1 1 1   -6    9    6 o  648.211   9.5156  2863.33   79.106  2888.85   97.493  2814.15  135.344  652.621   11.024  643.800   15.513 8.820984 19.03116 
1 1 1   -6    9    7 o  136.246   5.2118  126.291   9.1226  127.284   11.260  124.394   15.563  137.038   6.0633  135.454   8.4788 1.584824 10.42364 
1 1 1   -6    9    8 o  520.387   8.0391  1842.24   53.645  1853.54   66.055  1820.34   91.941  522.832   9.3230  517.941   13.099 4.891052 16.07823 
1 1 1   -6    9    9 o  674.151   9.8128  3081.11   84.541  3074.28  103.521  3094.79  146.489  673.215   11.347  675.086   16.013 -1.870850 19.62562 
1 1 1   -6    9   10 o  311.083   5.8604  645.117   23.289  624.339   28.308  688.639   40.969  303.490   6.8830  318.676   9.4869 -15.18610 11.72077 
1 1 1   -6    9   11 o  782.489   12.920  4156.51  136.915  4278.10  198.012  4045.13  189.520  793.424   18.416  771.554   18.126 21.87006 25.84025 
1 1 1   -6    9   12 o  309.265   6.9446  649.109   29.067  637.534   41.967  659.782   40.298  306.605   10.101  311.924   9.5334 -5.319122 13.88914 
1 1 1   -6    9   13 o  897.625   12.590  5417.16  143.437  5313.46  173.787  5638.76  254.049  884.718   14.495  910.531   20.589 -25.81293 25.18003 
1 1 1   -6    9   14 o  341.447   6.1656  787.126   27.000  780.174   33.126  800.884   46.601  339.248   7.2056  343.646   10.007 -4.398224 12.33115 
1 1 1   -6    9   15 o  778.534   11.073  4054.86  109.054  3949.85  131.520  4285.93  195.095  762.941   12.721  794.127   18.129 -31.18671 22.14682 
1 1 1   -6    9   16 o  809.309   11.471  4443.24  118.616  4431.90  145.214  4465.96  205.620  808.091   13.261  810.528   18.720 -2.436523 22.94120 
1 1 1   -6    9   17 o   94.982   5.7221   59.642   7.1554   55.194   8.9659   67.445   11.875   90.232   7.3325   99.733   8.7865 -9.501160 11.44411 
1 1 1   -6    9   18 o  263.784   5.5352  462.333   18.744  443.602   22.859  500.773   32.747  255.816   6.5940  271.753   8.8923 -15.93745 11.07045 
1 1 1   -6    9   19 o  1056.42   13.784  7576.34  197.327  7576.34  197.327   0.0000   0.0000  1056.42   13.784  ?   ?       ?      ? 
1 1 1   -6    9   20 o  808.414   10.861  4433.60  118.979  4433.60  118.979   0.0000   0.0000  808.414   10.861  ?   ?       ?      ? 
1 1 1   -6    9   21 o  1044.72   16.709  7436.52  236.498  7599.15  339.032  7282.37  330.065  1055.82   23.696  1033.61   23.565 22.20593 33.41808 
1 1 1   -6    9   22 o  408.988   8.0327  1134.19   44.520   0.0000   0.0000  1134.19   44.520  ?   ?   408.988   8.0327      ?      ? 
1 1 1   -6    9   23 o  852.250   13.990  4942.37  161.551  4860.16  226.122  5028.08  230.889  845.020   19.747  859.479   19.824 -14.45905 27.98047 
1 1 1   -6    9   24 o  659.919   9.7453  2952.85   81.926  2943.82   99.988  2971.28  142.909  658.643   11.202  661.194   15.950 -2.550903 19.49059 
1 1 1   -6    9   25 o  520.592   6.6309  1837.86   46.773  1871.47   66.795  1805.52   65.517  525.260   9.3839  515.923   9.3711 9.337341 13.26177 
1 1 1   -6    9   26 o  396.638   5.5744  1066.39   29.956  1091.22   42.881  1042.72   41.867  401.145   7.8882  392.130   7.8787 9.015564 11.14887 
1 1 1   -6    9   27 o  206.817   4.5169  290.011   12.658  287.698   18.006  292.271   17.797  206.001   6.4502  207.634   6.3250 -1.633179 9.033872 
1 1 1   -6    9   28 o  483.172   6.3017  1583.52   41.260  1567.65   58.178  1599.58   58.525  480.735   8.9303  485.609   8.8935 -4.873657 12.60338 
1 1 1   -6    9   29 o  342.392   5.1819  794.953   24.043  794.315   34.113  795.583   33.892  342.254   7.3550  342.529   7.3015 -0.2749939 10.36377 
1 1 1   -6    9   30 o  253.843   4.6785  436.822   16.092  442.027   22.949  431.788   22.571  255.330   6.6326  252.356   6.6002 2.973923 9.356963 
1 1 1   -6    9   31 o  285.550   4.8469  552.906   18.755  551.502   26.548  554.305   26.500  285.187   6.8694  285.912   6.8396 -0.7246094 9.693752 
1 1 1   -6    9   32 o  671.071   9.9035  3056.34   84.655  3077.49  147.703  3046.00  103.306  672.410   16.210  669.732   11.383 2.677734 19.80698 
1 1 1   -6    9   33 o  216.199   5.8707  329.617   15.933  282.143   27.314  354.103   19.616  203.876   9.8862  228.522   6.3342 -24.64560 11.74135 
1 1 1   -6    9   34 o  231.253   6.5007  362.652   20.372   0.0000   0.0000  362.652   20.372  ?   ?   231.253   6.5007      ?      ? 
1 1 1   -6    9   36 o  1086.73   12.323  8057.37  181.470  8066.02  256.885  8048.76  256.391  1087.31   17.434  1086.15   17.419 1.157715 24.64512 
1 1 1   -6    9   37 o  193.644   4.6605  254.570   12.218  242.983   17.350  265.966   17.207  189.264   6.7648  198.024   6.4122 -8.759903 9.320933 
1 1 1   -6    9   38 o  379.556   5.5074  977.700   28.327  974.198   40.152  981.171   39.968  378.877   7.8204  380.236   7.7568 -1.358521 11.01478 
1 1 1   -6    9   39 o  324.612   7.2958  715.045   32.094  715.045   32.094   0.0000   0.0000  324.612   7.2958  ?   ?       ?      ? 
1 1 1   -6    9   40 o  234.172   5.5286  367.253   16.798  355.580   20.776  389.289   28.545  228.928   6.6972  239.416   8.7983 -10.48808 11.05722 
1 1 1   -6    9   41 o   61.656   7.5949   26.687   6.1142   22.812   8.9815   30.034   8.3468   56.826   12.038   66.486   9.2641 -9.659958 15.18974 
1 1 1   -6    9   42 o  451.930   6.0867  1387.37   37.276  1390.30   52.915  1384.49   52.519  452.400   8.6312  451.459   8.5845 0.9404602 12.17338 
1 1 1   -6    9   43 o  402.651   5.6948  1100.91   31.070  1115.14   44.364  1087.20   43.527  405.201   8.0794  400.100   8.0279 5.101257 11.38968 
1 1 1   -6    9   44 f  237.469   4.7381  382.921   15.240  370.645   21.613  395.061   21.493  233.674   6.8253  241.264   6.5738 -7.589493 9.476226 
1 1 1   -6    9   45 o  202.261   4.6493  277.105   12.729  290.724   18.531  264.936   17.516  206.955   6.6075  197.567   6.5425 9.388504 9.298554 
1 1 1   -6    9   46 o  246.693   4.7473  412.956   15.862  418.942   22.868  407.406   22.020  248.409   6.7933  244.977   6.6330 3.432648 9.494561 
1 1 1   -6    9   47 o  377.730   5.5524  968.413   28.401  996.843   41.120  942.478   39.275  383.016   7.9224  372.444   7.7816 10.57193 11.10484 
1 1 1   -6    9   48 f  193.906   5.7145  260.153   14.033  242.349   24.255  269.111   17.205  188.715   9.4845  199.097   6.3769 -10.38200 11.42897 
1 1 1   -6    9   49 o  419.495   7.1883  1163.32   37.733  1290.29   69.587  1110.43   44.908  434.851   11.809  404.140   8.1999 30.71048 14.37659 
1 1 1   -6    9   50 o  209.584   5.8381  303.131   15.440  286.336   26.972  311.316   18.830  205.057   9.7065  214.110   6.4898 -9.053238 11.67620 
1 1 1   -6    9   51 o  267.402   4.8637  485.345   17.616  499.194   25.409  472.528   24.444  271.067   6.9170  263.736   6.8395 7.331329 9.727470 
1 1 1   -6    9   52 o  167.126   6.7698  189.761   15.332  189.761   15.332   0.0000   0.0000  167.126   6.7698  ?   ?       ?      ? 
1 1 1   -6    9   53 o  171.615   4.6832  199.939   10.882  203.655   15.778  196.568   15.027  173.128   6.7254  170.103   6.5191 3.024689 9.366394 
1 1 1   -6    9   54 o  141.560   4.8960  136.910   9.3420  123.822   13.434  149.164   13.000  134.948   7.3464  148.173   6.4741 -13.22478 9.791955 
1 1 1   -6    9   55 o  141.264   6.3064  138.372   11.221  142.851   13.685  129.184   19.601  144.962   6.9664  137.566   10.514 7.395966 12.61270 
1 1 1   -6    9   56 o  180.454   5.9645  222.191   13.628  222.998   16.568  220.502   23.963  181.124   6.7499  179.784   9.8357 1.340225 11.92908 
1 1 1   -6    9   57 o  249.021   4.8341  421.379   16.308  431.163   23.427  412.181   22.715  251.820   6.8651  246.222   6.8077 5.598480 9.668242 
1 1 1   -6    9   58 o  226.376   4.7676  348.346   14.623  353.724   20.910  343.198   20.458  228.083   6.7652  224.669   6.7195 3.413834 9.535192 
1 1 1   -6    9   59 o   87.689   6.1416   52.251   7.2838   55.015   10.718   49.879   9.9289   89.830   8.8047   85.548   8.5646 4.281487 12.28311 
1 1 1   -6    9   60 o   60.394   9.1008   27.643   7.5722   40.739   10.195   11.529   11.309   77.236   9.7407   43.552   15.376 33.68352 18.20160 
1 1 1   -6    9   61 o  130.042   5.9104  111.232   10.122   99.386   12.646  132.362   16.888  120.799   7.7249  139.284   8.9475 -18.48486 11.82080 
1 1 1   -6    9   62 o  183.120   4.8174  228.165   11.951  228.250   17.102  228.083   16.708  183.145   6.8909  183.095   6.7338 0.4939270E-01 9.634726 
1 1 1   -6    9   63 o  174.477   6.9678  207.230   16.475  207.230   16.475   0.0000   0.0000  174.477   6.9678  ?   ?       ?      ? 
1 1 1   -6    9   64 o  147.867   5.0917  149.428   10.165  136.595   14.510  161.799   14.246  141.571   7.5631  154.163   6.8192 -12.59221 10.18342 
1 1 1   -6    9   65 o  212.391   6.0180  310.332   16.188  301.657   28.286  314.558   19.740  209.861   9.9462  214.921   6.7779 -5.060837 12.03602 
1 1 1   -6    9   66 o  137.070   5.3038  128.205   9.8235  127.501   14.428  128.813   13.412  136.684   7.7895  137.457   7.2004 -0.7730255 10.60764 
1 1 1   -6    9   67 o  230.339   6.1311  366.766   17.812  352.502   31.264  373.621   21.673  226.566   10.183  234.113   6.8316 -7.546799 12.26225 
1 1 1   -6    9   68 o  205.751   4.9318  287.943   13.729  305.527   20.119  272.620   18.781  211.603   7.0161  199.900   6.9331 11.70349 9.863694 
1 1 1   -6    9   69 o  206.596   4.8985  291.663   13.696  274.703   19.385  308.567   19.353  200.547   7.1330  212.645   6.7159 -12.09831 9.797095 
1 1 1   -6    9   70 o   71.416   9.5976   34.944   8.6076   32.266   10.453   40.584   15.170   68.251   11.302   74.581   15.515 -6.329994 19.19523 
1 1 1   -6    9   71 o  150.572   6.5043  158.752   12.352  163.714   15.089  148.671   21.507  154.669   7.1992  146.475   10.835 8.193268 13.00858 
1 1 1   -6    9   72 o   74.024   7.1410   38.107   7.1287   35.442   10.347   40.514   9.8357   71.455   10.685   76.593   9.4762 -5.137321 14.28203 
1 1 1   -6    9   73 o   85.891   6.3266   50.719   7.3282   58.178   10.716   44.168   10.044   91.856   8.6090   79.925   9.2731 11.93147 12.65325 
1 1 1   -6    9   74 o  132.417   5.1792  120.643   9.2783  113.248   13.163  127.947   13.081  128.315   7.5697  136.518   7.0706 -8.203156 10.35831 
1 1 1   -6    9   75 o  110.336   5.5591   84.085   8.3013   80.483   11.851   87.554   11.632  107.953   8.1011  112.719   7.6148 -4.766602 11.11811 
1 1 1   -6    9   76 f  132.216   5.1690  120.450   9.2588  123.034   13.283  118.007   12.913  133.586   7.3376  130.846   7.2823 2.740707 10.33792 
1 1 1   -6    9   77 o   60.145   9.2415   27.876   7.3336   32.901   9.4448   20.248   11.638   68.414   10.188   51.877   15.422 16.53675 18.48306 
1 1 1   -6    9   78 o   99.510   8.0009   71.496   10.609   59.389   15.386   82.467   14.647   90.832   12.500  108.188   9.9903 -17.35619 16.00171 
1 1 1   -6    9   79 o   96.738   7.6580   71.225   9.0729   53.924   15.421   80.384   11.220   85.952   13.240  107.524   7.7004 -21.57192 15.31607 
1 1 1   -6    9   80 o  101.563   7.0803   73.028   9.1100   74.014   16.006   72.556   11.080  101.225   11.668  101.901   8.0237 -0.6763687 14.16067 
1 1 1   -6    9   81 f  100.732   7.2323   74.382   9.2241   66.823   15.654   78.402   11.416   95.665   12.075  105.798   7.9629 -10.13364 14.46451 
1 1 1   -6    9   82 o   54.831   12.458   22.934   9.0462   0.0000   0.0000   22.934   9.0462  ?   ?    54.831   12.458      ?      ? 
1 1 1   -6    9   83 o  131.420   11.495  126.632   20.472   0.0000   0.0000  126.632   20.472  ?   ?   131.420   11.495      ?      ? 
1 1 1   -6    9   84 o   40.792   11.327   10.126   8.9832   8.2743   11.541   12.971   14.308   37.944   15.056   43.640   16.926 -5.696262 22.65334 
1 1 1   -6    9   85 o   63.192   11.393   30.491   10.010   18.745   12.705   49.713   16.253   48.244   16.331   78.141   15.890 -29.89688 22.78556 
1 1 1   -6    9   86 o   77.075   10.829   44.755   10.926   31.625   13.772   67.054   17.947   61.409   16.284   92.741   14.280 -31.33147 21.65830 
1 1 1   -6    9   88 o   53.557   11.730   25.344   9.8099   30.803   12.657   17.133   15.524   60.718   15.369   46.396   17.725 14.32173 23.46040 
1 1 1   -6    9   89 o   32.566   10.167   1.0424   8.7420   3.0628   11.240  -2.0514   13.909   32.749   14.071   32.383   14.679 0.3656731 20.33408 
1 1 1   -6    9   90 o   67.146   11.715   37.460   10.577   27.226   13.459   53.992   17.106   55.354   16.614   78.937   16.521 -23.58329 23.43037 
1 1 1   -6    9   91 o   58.809   15.889   30.554   12.962   30.554   12.962   0.0000   0.0000   58.809   15.889  ?   ?       ?      ? 
1 1 1   -6    9   92 o   34.483   14.743   5.5151   12.228   5.5151   12.228   0.0000   0.0000   34.483   14.743  ?   ?       ?      ? 
1 1 1   -6    9   93 o   46.297   16.667   20.125   13.350   20.125   13.350   0.0000   0.0000   46.297   16.667  ?   ?       ?      ? 
1 1 1   -6    9   94 o   45.207   16.769   19.870   13.669   19.870   13.669   0.0000   0.0000   45.207   16.769  ?   ?       ?      ? 
1 1 1   -6   10    1 o  711.907   8.4400  3438.78   81.418  3414.81  114.354  3463.42  115.947  709.395   11.895  714.419   11.976 -5.023499 16.88002 
1 1 1   -6   10    2 o  564.220   7.0224  2158.86   53.686  2139.13   75.214  2179.36   76.654  561.594   9.8832  566.845   9.9790 -5.250427 14.04481 
1 1 1   -6   10    3 o  674.207   8.0674  3083.62   73.699  3055.55  103.300  3112.72  105.177  671.086   11.359  677.328   11.459 -6.241455 16.13476 
1 1 1   -6   10    4 o  568.230   7.0629  2190.07   54.385  2197.79   76.754  2182.28   77.072  569.239   9.9500  567.221   10.027 2.017090 14.12578 
1 1 1   -6   10    5 o  712.158   8.4378  3441.48   81.430  3462.88  115.309  3420.19  115.010  714.369   11.911  709.948   11.954 4.420776 16.87559 
1 1 1   -6   10    6 o  267.173   5.8375  477.415   19.795  502.665   35.161  465.698   23.951  272.243   9.5306  262.104   6.7433 10.13977 11.67497 
1 1 1   -6   10    7 o  178.888   5.6583  218.459   12.782  212.852   22.494  221.132   15.533  177.159   9.3697  180.617   6.3462 -3.457947 11.31665 
1 1 1   -6   10    8 o  816.073   11.657  4533.00  121.631  4502.44  209.946  4548.44  149.225  813.608   19.042  818.538   13.453 -4.929749 23.31477 
1 1 1   -6   10    9 o  259.950   4.6741  458.304   16.457  472.321   23.174  444.043   23.374  263.964   6.4784  255.936   6.7393 8.028442 9.348144 
1 1 1   -6   10   10 f  524.388   6.6719  1864.89   47.409  1894.88   67.296  1835.35   66.799  528.575   9.3950  520.202   9.4758 8.373718 13.34383 
1 1 1   -6   10   11 o  163.516   5.0761  183.116   9.9637  185.304   11.682  177.274   19.087  165.349   5.2134  161.683   8.7112 3.665817 10.15212 
1 1 1   -6   10   12 o  470.441   7.0438  1442.25   38.225  1392.16   43.430  1614.46   80.526  453.155   7.0723  487.728   12.184 -34.57324 14.08759 
1 1 1   -6   10   13 o  439.695   6.7674  1295.99   34.933  1280.95   40.233  1342.06   70.419  434.685   6.8300  444.705   11.685 -10.02020 13.53480 
1 1 1   -6   10   14 o  220.582   5.2051  342.357   13.762  358.113   16.274  302.811   25.783  229.861   5.2246  211.303   9.0041 18.55804 10.41012 
1 1 1   -6   10   15 o  517.334   7.6365  1814.66   53.536  1814.66   53.536   0.0000   0.0000  517.334   7.6365  ?   ?       ?      ? 
1 1 1   -6   10   16 o  783.574   12.963  4168.67  137.643  4168.67  137.643   0.0000   0.0000  783.574   12.963  ?   ?       ?      ? 
1 1 1   -6   10   17 o  469.609   12.136  1497.00   77.233  1497.00   77.233   0.0000   0.0000  469.609   12.136  ?   ?       ?      ? 
1 1 1   -6   10   18 o  396.399   6.3155  1021.51   29.142  982.144   33.224  1152.84   60.687  380.624   6.4412  412.174   10.865 -31.55029 12.63095 
1 1 1   -6   10   19 o  611.677   8.6010  2541.16   62.043  2542.29   71.834  2537.85  123.097  612.239   8.6582  611.114   14.864 1.124512 17.20198 
1 1 1   -6   10   20 o  691.261   9.5294  3287.32   78.326  3333.96   91.409  3158.45  151.933  701.023   9.6222  681.500   16.451 19.52234 19.05871 
1 1 1   -6   10   21 o  313.384   5.7018  671.402   21.371  677.568   24.985  654.594   41.249  316.154   5.8318  310.615   9.7995 5.539063 11.40353 
1 1 1   -6   10   22 o  277.828   5.3449  503.508   17.636  483.505   20.305  564.941   35.585  267.072   5.6104  288.584   9.0993 -21.51205 10.68989 
1 1 1   -6   10   23 o  341.310   5.9154  790.603   24.039  791.132   27.976  789.110   47.001  341.612   6.0432  341.008   10.171 0.6030579 11.83074 
1 1 1   -6   10   24 o  115.780   5.7394   92.410   8.6565   96.787   10.983   85.233   14.064  119.476   6.7838  112.084   9.2596 7.391594 11.47870 
1 1 1   -6   10   25 o  221.223   4.5538  331.818   13.652  331.705   19.326  331.931   19.287  221.185   6.4475  221.261   6.4326 -0.7563782E-01 9.107626 
1 1 1   -6   10   26 o  288.887   6.8502  565.911   26.817   0.0000   0.0000  565.911   26.817  ?   ?   288.887   6.8502      ?      ? 
1 1 1   -6   10   27 f  257.329   4.7335  448.928   16.503  453.772   23.618  444.307   23.069  258.684   6.7375  255.975   6.6505 2.709412 9.466932 
1 1 1   -6   10   28 o  413.185   8.2156  1159.60   46.000  1151.50   64.817  1167.82   65.293  411.731   11.617  414.639   11.620 -2.907959 16.43115 
1 1 1   -6   10   29 f  516.414   9.4560  1813.14   66.171  1833.08   94.056  1793.59   93.112  519.226   13.367  513.602   13.378 5.623840 18.91200 
1 1 1   -6   10   30 o  250.778   5.8228  413.683   18.322  461.017   33.667  393.763   21.840  260.599   9.5333  240.957   6.6884 19.64182 11.64556 
1 1 1   -6   10   31 o  374.773   5.4498  952.912   27.678  948.324   39.066  957.537   39.219  373.867   7.7107  375.679   7.7036 -1.812256 10.89959 
1 1 1   -6   10   32 o  116.679   4.9563   92.211   7.8282   95.243   11.397   89.503   10.771  118.491   7.0979  114.868   6.9195 3.622963 9.912569 
1 1 1   -6   10   33 o  367.781   5.4031  917.633   26.925  931.190   38.438  904.572   37.728  370.446   7.6569  365.116   7.6252 5.330811 10.80612 
1 1 1   -6   10   34 o  126.569   4.8697  108.954   8.3314  102.405   11.952  115.143   11.620  122.853   7.1791  130.284   6.5815 -7.430840 9.739348 
1 1 1   -6   10   35 o  104.514   6.1502   75.754   8.4277   81.481   10.889   67.198   13.309  109.577   7.3330   99.450   9.8755 10.12768 12.30035 
1 1 1   -6   10   36 o  531.516   9.5997  1919.49   69.145  1919.49   69.145   0.0000   0.0000  531.516   9.5997  ?   ?       ?      ? 
1 1 1   -6   10   37 o  193.599   6.5769  254.307   17.255  254.307   17.255   0.0000   0.0000  193.599   6.5769  ?   ?       ?      ? 
1 1 1   -6   10   38 o  248.270   6.7289  418.277   22.639  418.277   22.639   0.0000   0.0000  248.270   6.7289  ?   ?       ?      ? 
1 1 1   -6   10   39 o  386.531   5.5700  1014.50   29.174  997.933   41.081  1031.36   41.437  383.344   7.9081  389.718   7.8462 -6.373962 11.14002 
1 1 1   -6   10   40 o  164.398   4.6535  183.581   10.356  179.383   14.893  187.510   14.410  162.570   6.7603  166.227   6.3968 -3.656815 9.307076 
1 1 1   -6   10   41 o  408.441   5.7619  1133.36   31.891  1125.39   45.142  1141.30   45.059  407.003   8.1847  409.879   8.1123 -2.876526 11.52385 
1 1 1   -6   10   42 o  359.286   5.3961  876.823   26.271  865.885   37.176  887.734   37.129  357.041   7.6836  361.530   7.5786 -4.488617 10.79222 
1 1 1   -6   10   43 o   93.003   5.6702   58.567   7.1214   61.128   10.604   56.464   9.6111   94.840   8.2511   91.166   7.7795 3.674217 11.34030 
1 1 1   -6   10   44 f  315.627   5.1124  676.721   21.863  670.439   31.126  682.838   30.716  314.173   7.3109  317.082   7.1484 -2.908997 10.22489 
1 1 1   -6   10   45 o  193.001   5.7154  256.912   13.949  242.628   24.270  263.958   17.046  188.821   9.4851  197.180   6.3795 -8.359604 11.43086 
1 1 1   -6   10   46 o  131.575   6.1447  121.175   10.027  109.021   17.826  126.800   12.128  126.499   10.399  136.650   6.5491 -10.15131 12.28940 
1 1 1   -6   10   47 o  357.656   6.7009  878.947   30.472  847.199   52.750  894.847   37.331  352.459   11.044  362.854   7.5920 -10.39496 13.40188 
1 1 1   -6   10   48 o  143.891   6.0241  137.713   10.819  148.913   19.936  133.038   12.881  147.840   9.9511  139.943   6.7923 7.896515 12.04824 
1 1 1   -6   10   49 o  136.933   4.9701  127.729   9.1984  121.554   13.285  133.415   12.748  133.729   7.3311  140.138   6.7128 -6.408432 9.940165 
1 1 1   -6   10   50 o  128.990   5.0938  112.889   8.8822  115.919   13.094  110.306   12.089  130.579   7.3997  127.401   7.0021 3.177971 10.18750 
1 1 1   -6   10   51 o  322.290   5.2024  706.007   22.714  714.493   32.622  698.022   31.644  324.159   7.4263  320.422   7.2877 3.737335 10.40483 
1 1 1   -6   10   52 o  251.479   4.8455  429.717   16.503  433.638   23.790  426.079   22.914  252.573   6.9506  250.385   6.7531 2.188599 9.690972 
1 1 1   -6   10   53 o  173.206   6.0131  206.277   13.278  210.322   16.316  198.345   22.848  175.897   6.8452  170.514   9.8881 5.383057 12.02621 
1 1 1   -6   10   54 o  172.818   4.7922  203.129   11.216  195.071   15.873  211.164   15.851  169.382   6.9153  176.254   6.6363 -6.872330 9.584429 
1 1 1   -6   10   55 o  145.011   4.9565  142.079   9.7028  160.393   14.341  126.620   13.176  153.581   6.8906  136.440   7.1265 17.14098 9.912993 
1 1 1   -6   10   56 o  221.823   4.8362  334.943   14.516  313.741   20.521  356.178   20.536  214.765   7.0509  228.882   6.6211 -14.11685 9.672310 
1 1 1   -6   10   57 o  221.894   4.8924  334.712   14.702  340.432   21.239  329.449   20.372  223.702   7.0063  220.086   6.8305 3.616394 9.784885 
1 1 1   -6   10   58 f  418.988   5.9427  1196.58   33.741  1182.55   47.607  1210.73   47.826  416.512   8.4346  421.464   8.3738 -4.952179 11.88538 
1 1 1   -6   10   59 o   44.403   9.4199   10.362   7.0979  -0.6872   9.4236   24.849   10.791   29.891   12.864   58.915   13.764 -29.02378 18.83990 
1 1 1   -6   10   60 o  303.667   6.2177  634.354   24.492  647.460   30.682  611.333   40.663  308.353   7.3426  298.981   10.036 9.371094 12.43547 
1 1 1   -6   10   61 o  134.903   5.2436  125.184   9.4870  107.696   13.682  141.380   13.167  125.676   8.0335  144.129   6.7412 -18.45285 10.48717 
1 1 1   -6   10   62 o  298.231   5.1551  606.252   20.824  594.328   29.718  617.754   29.188  295.318   7.4260  301.144   7.1523 -5.826233 10.31023 
1 1 1   -6   10   63 o  174.821   6.0810  204.769   13.286  219.236   24.360  198.644   15.851  178.869   10.050  170.774   6.8496 8.094635 12.16194 
1 1 1   -6   10   64 o   90.205   6.4008   54.719   7.7550   65.301   11.865   46.827   10.247   97.696   8.9620   82.714   9.1414 14.98213 12.80165 
1 1 1   -6   10   65 o  308.865   6.4588  657.786   25.335  641.033   44.048  666.068   30.971  305.302   10.647  312.428   7.3152 -7.126160 12.91757 
1 1 1   -6   10   66 o   90.645   8.8449   63.901   8.9840   44.733   16.357   72.182   10.751   78.521   15.917  102.769   7.7196 -24.24826 17.68987 
1 1 1   -6   10   67 o   43.521   9.4072   13.413   6.1759   9.6058   9.5157   16.184   8.1180   39.612   14.091   47.429   12.467 -7.817352 18.81447 
1 1 1   -6   10   68 o  135.992   6.3910  120.229   11.140  107.456   13.423  148.489   19.967  125.245   7.9090  146.740   10.041 -21.49505 12.78196 
1 1 1   -6   10   69 o   80.528   6.9232   45.659   7.3831   35.932   10.699   54.501   10.201   71.986   10.968   89.070   8.4514 -17.08446 13.84649 
1 1 1   -6   10   70 o  145.780   5.1512  146.031   10.147  137.980   14.630  153.494   14.086  141.822   7.6125  149.738   6.9419 -7.916229 10.30244 
1 1 1   -6   10   71 o  129.808   5.2660  115.106   9.2388  126.865   13.590  105.001   12.598  135.958   7.3761  123.658   7.5177 12.29993 10.53199 
1 1 1   -6   10   72 o   57.846   8.5162   24.425   6.5303   20.294   9.7285   27.813   8.8102   52.497   13.574   63.196   10.288 -10.69841 17.03238 
1 1 1   -6   10   73 o   46.077   9.3669   15.144   6.1966   19.223   9.3165   11.907   8.2983   51.024   13.328   41.130   13.165 9.893829 18.73385 
1 1 1   -6   10   74 o   93.144   5.9665   60.454   7.4886   55.135   10.824   65.338   10.371   89.058   8.9688   97.231   7.8714 -8.173363 11.93307 
1 1 1   -6   10   75 o  109.363   5.5173   82.929   8.1608   77.611   11.595   88.148   11.488  105.797   8.0878  112.929   7.5065 -7.132088 11.03454 
1 1 1   -6   10   76 o   97.472   7.8393   67.772   10.290   64.267   15.158   70.768   14.013   94.828   11.795  100.117   10.329 -5.288887 15.67863 
1 1 1   -6   10   77 o  108.964   7.5717   83.914   11.145   92.698   16.524   76.584   15.095  114.176   10.679  103.753   10.736 10.42323 15.14336 
1 1 1   -6   10   78 o   61.568   9.5759   31.690   7.8227   17.267   13.077   39.728   9.7618   48.196   16.565   74.939   9.6125 -26.74300 19.15187 
1 1 1   -6   10   79 o   61.076   9.4884   29.508   7.5402   23.050   12.524   33.180   9.4436   54.012   15.985   68.140   10.227 -14.12800 18.97681 
1 1 1   -6   10   80 o   58.240   9.9625   26.905   7.5613   24.244   12.843   28.316   9.3544   54.976   16.164   61.504   11.650 -6.527756 19.92493 
1 1 1   -6   10   81 o   38.335   11.034   7.3394   8.9226   7.9871   11.576   6.3915   14.005   37.942   15.071   38.729   16.121 -0.7872505 22.06883 
1 1 1   -6   10   82 o   44.840   17.223   14.127   14.706   0.0000   0.0000   14.127   14.706  ?   ?    44.840   17.223      ?      ? 
1 1 1   -6   10   84 o   51.850   11.441   17.886   9.8401   4.5471   12.519   39.454   15.918   35.586   15.054   68.113   17.232 -32.52674 22.88177 
1 1 1   -6   10   85 o   37.154   10.952   5.5302   8.9016   2.2330   11.201   11.184   14.666   32.488   14.003   41.820   16.843 -9.331440 21.90413 
1 1 1   -6   10   86 o   64.161   11.761   35.757   10.238   37.796   13.056   32.500   16.498   68.214   14.567   60.109   18.469 8.105286 23.52249 
1 1 1   -6   10   87 o   40.096   10.940   5.7997   8.9179  -4.3226   11.133   23.926   14.898   28.095   12.886   52.097   17.684 -24.00198 21.88061 
1 1 1   -6   10   88 o   49.147   11.932   19.759   9.4830   14.525   12.070   28.200   15.329   42.742   15.777   55.552   17.905 -12.81082 23.86401 
1 1 1   -6   10   89 o   42.919   11.135   14.989   9.0494   20.672   11.581   6.0803   14.501   48.811   15.545   37.026   15.946 11.78460 22.26986 
1 1 1   -6   10   90 o   41.494   15.652   14.072   12.008   14.072   12.008   0.0000   0.0000   41.494   15.652  ?   ?       ?      ? 
1 1 1   -6   10   91 o   74.943   15.536   49.560   15.260   49.560   15.260   0.0000   0.0000   74.943   15.536  ?   ?       ?      ? 
1 1 1   -6   10   92 o   54.617   17.101   29.383   14.069   29.383   14.069   0.0000   0.0000   54.617   17.101  ?   ?       ?      ? 
1 1 1   -6   10   93 o   78.342   15.873   56.992   16.274   56.992   16.274   0.0000   0.0000   78.342   15.873  ?   ?       ?      ? 
1 1 1   -6   11    1 o  265.591   5.9446  482.810   20.118  465.332   34.695  491.664   24.693  261.891   9.7759  269.291   6.7665 -7.399475 11.88928 
1 1 1   -6   11    2 o  347.499   5.2406  818.873   24.675  836.056   34.926  801.749   34.866  351.141   7.3397  343.856   7.4824 7.284760 10.48129 
1 1 1   -6   11    3 o  285.741   4.8585  551.381   18.775  514.236   25.635  594.364   27.576  275.401   6.8689  296.080   6.8729 -20.67975 9.716927 
1 1 1   -6   11    4 o  352.429   5.2764  841.918   25.191  831.167   35.092  853.348   36.183  350.111   7.3965  354.747   7.5268 -4.636200 10.55271 
1 1 1   -6   11    5 o  268.633   4.7674  489.259   17.349  489.103   24.213  489.423   24.871  268.591   6.6523  268.675   6.8309 -0.8355713E-01 9.534884 
1 1 1   -6   11    6 o  180.312   4.5414  219.841   11.082  206.897   15.239  234.370   16.145  174.694   6.4372  185.931   6.4076 -11.23729 9.082718 
1 1 1   -6   11    7 o  392.855   5.5893  1045.19   29.733  1009.62   41.085  1084.30   43.085  385.850   7.8574  399.860   7.9512 -14.01053 11.17860 
1 1 1   -6   11    8 o  425.949   5.8512  1229.91   33.763  1208.50   47.024  1252.69   48.507  422.128   8.2204  429.771   8.3288 -7.642731 11.70233 
1 1 1   -6   11    9 o  547.022   6.9005  2030.04   51.148  2019.03   71.785  2041.40   72.897  545.518   9.7106  548.525   9.8069 -3.006531 13.80109 
1 1 1   -6   11   10 o  258.693   4.8150  452.644   16.845  437.768   22.958  469.991   24.792  254.103   6.6673  263.282   6.9487 -9.178650 9.629991 
1 1 1   -6   11   11 o  402.706   11.016  1100.71   60.118  1100.71   60.118   0.0000   0.0000  402.706   11.016  ?   ?       ?      ? 
1 1 1   -6   11   12 o  517.080   13.027  1816.04   91.284  1816.04   91.284   0.0000   0.0000  517.080   13.027  ?   ?       ?      ? 
1 1 1   -6   11   13 o  257.979   5.2884  435.214   16.136  419.385   18.550  484.420   32.708  248.733   5.5035  267.224   9.0321 -18.49055 10.57674 
1 1 1   -6   11   14 o  382.622   6.3283  997.979   28.702  1003.18   33.360  983.159   56.316  384.662   6.3997  380.582   10.919 4.080353 12.65658 
1 1 1   -6   11   15 o  275.789   5.4412  509.503   17.822  502.861   20.642  528.951   35.323  272.360   5.5927  279.217   9.3353 -6.856567 10.88242 
1 1 1   -6   11   16 o  398.473   6.4547  1073.90   30.377  1070.44   35.165  1084.11   60.302  397.336   6.5309  399.610   11.136 -2.273926 12.90941 
1 1 1   -6   11   17 o  510.913   7.5695  1784.29   45.782  1797.54   53.207  1746.51   89.851  514.824   7.6265  507.002   13.078 7.822174 15.13898 
1 1 1   -6   11   18 o  221.801   5.3560  349.121   14.235  369.172   16.888  299.913   26.456  233.365   5.3402  210.237   9.2860 23.12724 10.71202 
1 1 1   -6   11   19 o  277.118   5.4425  517.708   17.979  514.268   20.898  527.506   35.268  275.423   5.5991  278.812   9.3345 -3.388489 10.88497 
1 1 1   -6   11   20 o  216.906   5.5827  320.209   15.877  323.446   20.114  314.857   25.860  218.396   6.7962  215.415   8.8587 2.981323 11.16532 
1 1 1   -6   11   21 o  266.620   5.3499  475.157   17.006  467.636   19.725  496.931   33.563  262.636   5.5422  270.604   9.1525 -7.968445 10.69972 
1 1 1   -6   11   22 o  606.742   8.5822  2511.21   61.523  2521.47   71.372  2481.52  121.374  609.589   8.6399  603.894   14.831 5.695313 17.16443 
1 1 1   -6   11   23 o  245.243   5.7766  414.997   18.526  437.204   23.675  379.920   29.754  253.897   6.8809  236.588   9.2805 17.30957 11.55314 
1 1 1   -6   11   24 o  218.809   5.1849  326.628   13.715  328.917   16.128  320.648   26.070  220.258   5.4032  217.359   8.8508 2.899185 10.36975 
1 1 1   -6   11   25 o  296.855   6.0356  599.500   23.333  603.330   29.255  592.804   38.680  298.228   7.2388  295.481   9.6599 2.747009 12.07117 
1 1 1   -6   11   26 o  386.697   6.7565  998.523   33.548  964.610   40.980  1067.43   58.414  377.029   8.0207  396.366   10.875 -19.33707 13.51300 
1 1 1   -6   11   27 o  387.975   6.3011  970.441   28.397  925.750   32.293  1122.86   59.639  369.445   6.4502  406.505   10.826 -37.06036 12.60212 
1 1 1   -6   11   28 o   92.947   5.5473   58.565   6.9672   64.913   10.038   52.665   9.6782   97.807   7.5735   88.088   8.1077 9.718765 11.09468 
1 1 1   -6   11   29 o  253.213   4.7397  434.784   16.260  447.382   23.249  422.721   22.750  256.803   6.6806  249.623   6.7252 7.180313 9.479397 
1 1 1   -6   11   30 o  414.937   6.9867  1140.89   36.759  1091.26   44.261  1251.22   65.992  400.937   8.1464  428.937   11.353 -28.00012 13.97341 
1 1 1   -6   11   31 o  263.069   5.6991  464.353   19.327  452.576   23.755  487.414   33.240  258.267   6.7873  267.871   9.1571 -9.604462 11.39822 
1 1 1   -6   11   32 o  257.874   5.7169  450.849   19.043  449.340   23.582  453.678   32.285  257.334   6.7625  258.413   9.2195 -1.079041 11.43377 
1 1 1   -6   11   33 o  190.078   6.8519  245.194   17.600  271.732   25.410  220.720   24.402  199.968   9.3769  180.188   9.9935 19.78001 13.70387 
1 1 1   -6   11   34 o  246.622   6.8560  413.500   22.911  410.354   32.553  416.587   32.250  245.685   9.7776  247.558   9.6133 -1.872742 13.71196 
1 1 1   -6   11   35 o  383.882   5.5753  1000.74   29.003  995.942   40.866  1005.62   41.167  382.955   7.8747  384.808   7.8945 -1.853577 11.15057 
1 1 1   -6   11   36 o  332.084   5.1926  747.741   23.352  781.721   33.748  716.526   32.346  339.313   7.3394  324.855   7.3476 14.45786 10.38530 
1 1 1   -6   11   37 o  236.150   4.7077  378.650   15.060  367.810   21.341  389.403   21.255  232.775   6.7655  239.524   6.5482 -6.749481 9.415457 
1 1 1   -6   11   38 o  281.310   4.9041  537.167   18.692  543.124   26.733  531.468   26.145  282.833   6.9748  279.788   6.8958 3.044891 9.808128 
1 1 1   -6   11   39 o  300.117   5.0249  611.358   20.431  623.734   29.312  599.665   28.492  303.066   7.1372  297.167   7.0752 5.899170 10.04977 
1 1 1   -6   11   40 o  224.318   4.6995  341.796   14.279  332.910   20.315  350.470   20.073  221.427   6.7704  227.209   6.5194 -5.782349 9.398933 
1 1 1   -6   11   41 o  169.711   5.7355  199.561   12.374  184.495   21.186  207.360   15.243  164.656   9.4949  174.765   6.4365 -10.10886 11.47092 
1 1 1   -6   11   42 o  214.341   9.3174  312.645   27.063  312.645   27.063   0.0000   0.0000  214.341   9.3174  ?   ?       ?      ? 
1 1 1   -6   11   43 o  213.063   5.7443  310.222   15.537  304.120   27.104  313.209   18.961  211.363   9.4627  214.762   6.5152 -3.399323 11.48868 
1 1 1   -6   11   44 o  282.998   6.1675  549.841   22.055  531.078   38.658  558.894   26.853  279.167   10.219  286.828   6.9087 -7.660614 12.33496 
1 1 1   -6   11   45 o  181.793   5.9111  229.356   13.423  212.880   23.772  237.067   16.264  176.755   9.9247  186.831   6.4239 -10.07518 11.82226 
1 1 1   -6   11   46 o  102.532   5.4872   71.228   7.5952   74.327   11.335   68.702   10.232  104.537   8.0016  100.526   7.5109 4.010246 10.97444 
1 1 1   -6   11   47 o  119.790   5.2027   97.744   8.4077   95.415   12.412   99.718   11.429  118.448   7.7325  121.132   6.9628 -2.684067 10.40541 
1 1 1   -6   11   48 o  248.016   4.8228  417.721   16.198  426.201   23.429  409.956   22.420  250.416   6.9042  245.615   6.7358 4.800568 9.645651 
1 1 1   -6   11   49 o  218.192   4.7769  323.716   14.107  320.259   20.394  326.889   19.535  217.056   6.9335  219.327   6.5727 -2.271255 9.553699 
1 1 1   -6   11   50 o  172.736   5.9762  203.533   13.283  204.313   16.410  202.050   22.621  173.353   6.9856  172.118   9.6985 1.234528 11.95236 
1 1 1   -6   11   51 o  158.983   6.0868  170.270   12.438  166.286   15.248  178.193   21.503  156.363   7.1959  161.603   9.8192 -5.239883 12.17364 
1 1 1   -6   11   52 o  116.971   5.5232   95.212   8.5547   75.692   12.510  112.357   11.725  105.389   8.7595  128.553   6.7302 -23.16440 11.04646 
1 1 1   -6   11   53 o  154.333   4.9783  160.274   10.356  182.018   15.609  143.178   13.840  163.583   7.0412  145.084   7.0395 18.49869 9.956584 
1 1 1   -6   11   54 o  197.886   4.9055  265.775   13.130  275.718   19.284  257.180   17.929  201.315   7.0686  194.458   6.8036 6.856766 9.810930 
1 1 1   -6   11   55 f  196.238   4.8691  261.403   12.926  271.124   18.966  252.971   17.663  199.623   7.0109  192.852   6.7587 6.770493 9.738204 
1 1 1   -6   11   56 o   92.090   6.1399   57.690   7.6221   59.266   11.443   56.433   10.219   93.191   9.0615   90.989   8.2876 2.201744 12.27987 
1 1 1   -6   11   57 o   63.384   9.1078   30.349   7.7254   44.327   10.524   14.014   11.377   80.541   9.6422   46.227   15.454 34.31442 18.21568 
1 1 1   -6   11   58 o   46.515   9.3080   14.038   7.1892   26.015   9.9300   0.8444   10.422   60.426   12.538   32.605   13.761 27.82106 18.61604 
1 1 1   -6   11   59 o  110.827   5.6621   83.462   8.4491   86.385   12.782   81.194   11.260  112.509   8.3833  109.145   7.6129 3.364548 11.32415 
1 1 1   -6   11   60 o  280.184   6.4246  554.581   22.744  484.127   38.696  591.764   28.112  265.635   10.750  294.733   7.0386 -29.09763 12.84918 
1 1 1   -6   11   61 o   72.982   9.6780   39.158   8.2629   34.090   15.702   41.099   9.7171   68.469   17.001   77.494   9.2530 -9.025749 19.35606 
1 1 1   -6   11   62 o  122.757   5.4925  102.966   9.0821  102.139   13.578  103.635   12.218  122.258   8.1953  123.256   7.3148 -0.9982605 10.98496 
1 1 1   -6   11   63 o  129.139   5.4326  114.684   9.4381  105.290   13.827  122.880   12.915  124.078   8.2231  134.200   7.1017 -10.12254 10.86524 
1 1 1   -6   11   64 o  133.592   6.5543  122.677   10.873  122.042   19.795  122.952   13.012  132.997   10.983  134.187   7.1559 -1.190369 13.10863 
1 1 1   -6   11   65 o  140.348   5.2971  135.537   10.009  124.519   14.607  145.288   13.742  134.848   7.9934  145.847   6.9530 -10.99902 10.59429 
1 1 1   -6   11   66 o   77.315   8.9887   36.498   8.5908   22.265   10.328   68.454   15.476   55.310   13.819   99.321   11.498 -44.01126 17.97732 
1 1 1   -6   11   67 o  133.225   5.3790  120.487   9.6437  142.458   14.371  102.489   13.007  144.218   7.3536  122.232   7.8524 21.98541 10.75806 
1 1 1   -6   11   68 o   85.634   6.4892   50.714   7.4885   49.579   11.119   51.656   10.130   84.665   9.6915   86.602   8.6320 -1.937515 12.97832 
1 1 1   -6   11   69 o  137.036   5.2215  129.001   9.6870  127.264   13.954  130.616   13.459  136.101   7.5656  137.972   7.1984 -1.871185 10.44293 
1 1 1   -6   11   70 o   98.638   6.0031   67.030   8.0086   69.914   11.778   64.549   10.922  100.572   8.6422   96.703   8.3345 3.868912 12.00625 
1 1 1   -6   11   71 o  209.217   4.9244  300.836   13.955  301.845   20.059  299.890   19.427  209.513   7.0651  208.921   6.8617 0.5928040 9.848848 
1 1 1   -6   11   72 o   96.307   5.9534   64.337   7.7515   63.857   11.330   64.758   10.628   95.890   8.7191   96.724   8.1086 -0.8337555 11.90682 
1 1 1   -6   11   73 o   85.784   6.2724   51.470   7.2598   48.514   10.563   54.117   9.9948   83.307   9.3563   88.261   8.3564 -4.953949 12.54476 
1 1 1   -6   11   74 o   66.115   9.2698   30.822   7.6028   38.159   13.521   27.430   9.1939   71.061   14.531   61.169   11.514 9.892593 18.53969 
1 1 1   -6   11   75 o  101.246   7.7901   72.808   10.649   76.955   15.900   69.435   14.340  103.709   11.313   98.783   10.712 4.925735 15.58016 
1 1 1   -6   11   76 o   92.791   8.3000   62.908   10.281   52.860   14.860   72.134   14.239   85.001   12.901  100.582   10.446 -15.58152 16.59992 
1 1 1   -6   11   77 o   50.487   9.9051   20.907   7.3857   11.083   12.419   26.283   9.1869   41.709   15.873   59.266   11.853 -17.55682 19.81016 
1 1 1   -6   11   78 o  121.896   6.7009  103.531   10.518  113.278   18.231   98.668   12.877  125.263   10.740  118.530   8.0166 6.732605 13.40189 
1 1 1   -6   11   80 o  107.885   13.038   87.563   19.061   0.0000   0.0000   87.563   19.061  ?   ?   107.885   13.038      ?      ? 
1 1 1   -6   11   81 o   63.245   17.792   34.216   15.889   0.0000   0.0000   34.216   15.889  ?   ?    63.245   17.792      ?      ? 
1 1 1   -6   11   82 o   92.783   9.2077   64.871   11.479   60.917   15.122   70.247   17.635   89.946   12.406   95.620   13.609 -5.673874 18.41544 
1 1 1   -6   11   83 o   86.382   10.175   58.835   11.436   58.358   14.940   59.508   17.771   87.690   12.572   85.074   16.002 2.615562 20.34972 
1 1 1   -6   11   84 o   40.452   11.139   11.157   8.9722   14.676   11.327   5.2299   14.700   43.324   15.378   37.580   16.118 5.743671 22.27709 
1 1 1   -6   11   85 o   31.966   9.6720 -13.2374   8.4645 -30.2563   10.601   16.694   14.059   18.377   9.2570   45.554   16.985 -27.17739 19.34402 
1 1 1   -6   11   86 o   40.664   11.281   11.108   8.8406   8.1230   11.167   16.120   14.470   36.552   14.706   44.776   17.111 -8.224010 22.56218 
1 1 1   -6   11   87 o   29.521   9.5931  -4.1138   8.4343  -6.4217   10.623  -0.1781   13.872   26.072   12.175   32.970   14.828 -6.898642 19.18612 
1 1 1   -6   11   88 o  101.715   9.0084   81.845   12.323   80.087   16.420   84.112   18.645  101.355   11.955  102.075   13.479 -0.7199707 18.01684 
1 1 1   -6   11   89 o   38.514   15.419   11.012   12.211   11.012   12.211   0.0000   0.0000   38.514   15.419  ?   ?       ?      ? 
1 1 1   -6   11   90 o   34.711   14.741   6.7582   12.080   6.7582   12.080   0.0000   0.0000   34.711   14.741  ?   ?       ?      ? 
1 1 1   -6   11   91 o   51.131   16.988   26.359   13.751   26.359   13.751   0.0000   0.0000   51.131   16.988  ?   ?       ?      ? 
1 1 1   -6   11   92 o   34.175   15.005   6.3865   13.370   6.3865   13.370   0.0000   0.0000   34.175   15.005  ?   ?       ?      ? 
1 1 1   -6   11   93 o   49.070   17.414   27.137   14.524   27.137   14.524   0.0000   0.0000   49.070   17.414  ?   ?       ?      ? 
1 1 1   -6   12    1 o  310.788   6.0540  654.439   24.452  658.617   40.909  652.116   30.500  311.498   9.6912  310.078   7.2584 1.420776 12.10796 
1 1 1   -6   12    2 o  273.508   5.7695  507.701   20.602  506.745   34.034  508.254   25.882  273.259   9.1908  273.757   6.9768 -0.4986572 11.53890 
1 1 1   -6   12    3 o  130.505   5.5574  114.703   9.6234  119.535   15.392  111.601   12.331  132.731   8.5571  128.278   7.0934 4.452789 11.11489 
1 1 1   -6   12    4 f  272.234   5.8407  510.819   20.834  469.317   33.335  537.420   26.688  262.966   9.3546  281.502   6.9961 -18.53543 11.68132 
1 1 1   -6   12    5 o  354.965   10.314  855.448   49.613  855.448   49.613   0.0000   0.0000  354.965   10.314  ?   ?       ?      ? 
1 1 1   -6   12    6 o  510.464   12.956  1771.19   89.622  1771.19   89.622   0.0000   0.0000  510.464   12.956  ?   ?       ?      ? 
1 1 1   -6   12    7 o  337.754   6.2994  776.932   27.749  763.703   45.772  784.620   34.892  335.402   10.071  340.107   7.5706 -4.705139 12.59880 
1 1 1   -6   12    8 o  437.126   5.9805  1295.89   35.414  1275.41   49.300  1317.72   50.904  433.565   8.3909  440.688   8.5239 -7.123444 11.96096 
1 1 1   -6   12    9 o  148.305   4.8081  147.516   9.6067  129.203   12.871  170.553   14.436  138.025   6.8811  158.585   6.7172 -20.55978 9.616109 
1 1 1   -6   12   10 o  534.082   6.8159  1936.17   49.324  1929.37   69.182  1943.20   70.343  533.135   9.5758  535.029   9.7019 -1.894775 13.63170 
1 1 1   -6   12   11 o  370.098   5.5018  927.376   27.563  890.458   37.907  968.789   40.149  362.301   7.7209  377.894   7.8401 -15.59256 11.00360 
1 1 1   -6   12   12 o  569.676   8.1957  2181.06   54.562  2158.13   62.720  2252.40  110.634  563.978   8.2065  575.374   14.189 -11.39581 16.39146 
1 1 1   -6   12   13 o  662.744   9.2252  2969.61   71.596  2952.85   82.486  3020.81  144.175  659.564   9.2287  665.925   15.976 -6.360901 18.45038 
1 1 1   -6   12   14 o  336.640   6.3141  767.301   27.216  763.469   33.367  774.916   47.041  335.481   7.3395  337.799   10.276 -2.318085 12.62818 
1 1 1   -6   12   15 o  368.724   6.2141  920.800   27.054  918.757   31.321  926.803   53.685  368.074   6.2795  369.375   10.725 -1.300842 12.42818 
1 1 1   -6   12   16 o  228.201   5.1947  342.915   14.122  332.145   16.316  375.081   28.196  221.331   5.4400  235.072   8.8513 -13.74146 10.38941 
1 1 1   -6   12   17 o  251.863   5.6918  429.008   18.498  425.742   22.854  435.210   31.497  250.535   6.7315  253.190   9.1799 -2.655807 11.38353 
1 1 1   -6   12   18 o  279.286   5.9491  522.773   21.622  506.479   26.848  552.849   36.476  273.231   7.2510  285.341   9.4334 -12.10922 11.89812 
1 1 1   -6   12   19 o  279.920   5.9469  543.957   21.372  573.008   26.703  492.182   35.649  290.641   6.7799  269.199   9.7722 21.44196 11.89380 
1 1 1   -6   12   20 o  546.596   8.4215  2013.93   58.537  1981.07   71.099  2083.08  103.131  540.067   9.7148  553.125   13.759 -13.05774 16.84299 
1 1 1   -6   12   21 o  103.937   7.5169   71.881   10.471   84.756   16.331   62.893   13.645  111.670   10.792   96.204   10.466 15.46596 15.03376 
1 1 1   -6   12   22 o   91.185   8.2134   57.431   9.8968   52.104   15.414   61.167   12.909   87.488   13.001   94.881   10.040 -7.392265 16.42672 
1 1 1   -6   12   23 f  307.437   6.1336  648.374   24.294  663.766   30.208  620.192   40.876  312.763   7.1274  302.111   9.9843 10.65146 12.26722 
1 1 1   -6   12   24 o  182.462   5.4534  224.420   12.839  220.970   15.832  231.047   21.941  180.476   6.4733  184.449   8.7781 -3.972656 10.90685 
1 1 1   -6   12   25 o   72.980   7.7050   37.747   7.0594   40.467   8.9371   33.235   11.512   77.194   8.5434   68.767   12.825 8.427162 15.41006 
1 1 1   -6   12   26 o  250.252   5.8807  430.293   19.272  446.070   24.552  404.973   31.103  256.375   7.0669  244.129   9.4017 12.24634 11.76149 
1 1 1   -6   12   27 o  550.129   7.9991  2037.42   51.588  2015.93   59.398  2103.40  104.078  544.868   8.0445  555.390   13.829 -10.52240 15.99821 
1 1 1   -6   12   28 o  390.190   6.4325  1036.43   29.814  1038.45   34.667  1030.67   58.431  391.195   6.5394  389.184   11.079 2.010681 12.86507 
1 1 1   -6   12   29 o  243.057   7.0561  401.008   23.241  401.008   23.241   0.0000   0.0000  243.057   7.0561  ?   ?       ?      ? 
1 1 1   -6   12   30 o  387.642   6.5194  1019.79   34.247  1019.79   34.247   0.0000   0.0000  387.642   6.5194  ?   ?       ?      ? 
1 1 1   -6   12   31 o  299.121   6.0393  604.171   23.184  596.284   28.441  619.793   40.028  296.363   7.0817  301.880   9.7847 -5.516754 12.07851 
1 1 1   -6   12   32 o  443.615   6.0493  1336.34   36.351  1377.80   52.292  1297.57   50.568  450.265   8.5701  436.964   8.5398 13.30176 12.09853 
1 1 1   -6   12   33 o  234.215   4.7067  372.193   14.935  381.610   21.414  363.274   20.839  237.097   6.6649  231.332   6.6475 5.764969 9.413340 
1 1 1   -6   12   34 o  192.569   4.6462  251.939   12.099  231.823   17.024  272.470   17.199  184.783   6.7987  200.355   6.3345 -15.57265 9.292372 
1 1 1   -6   12   35 o  222.813   4.6885  336.981   14.153  340.215   20.286  333.915   19.756  223.850   6.6872  221.776   6.5735 2.074539 9.377069 
1 1 1   -6   12   36 o  270.615   4.8852  496.564   17.900  516.196   25.972  478.802   24.704  275.698   6.9517  265.532   6.8655 10.16626 9.770435 
1 1 1   -6   12   37 o  315.997   6.2367  682.253   25.306  669.434   43.159  688.969   31.239  313.527   10.158  318.466   7.2386 -4.938538 12.47332 
1 1 1   -6   12   38 o  123.831   7.0044  104.161   11.754   0.0000   0.0000  104.161   11.754  ?   ?   123.831   7.0044      ?      ? 
1 1 1   -6   12   39 f  127.427   10.210  110.632   17.630   0.0000   0.0000  110.632   17.630  ?   ?   127.427   10.210      ?      ? 
1 1 1   -6   12   40 o  221.283   5.8494  325.424   16.542  311.133   20.068  355.713   29.216  214.004   6.9200  228.563   9.4327 -14.55908 11.69881 
1 1 1   -6   12   41 o  196.490   9.8438  263.057   26.211  263.057   26.211   0.0000   0.0000  196.490   9.8438  ?   ?       ?      ? 
1 1 1   -6   12   42 o  238.716   5.9323  382.918   17.772  400.496   32.182  375.205   21.317  242.427   9.7961  235.005   6.6937 7.421570 11.86459 
1 1 1   -6   12   43 o  102.629   5.6474   73.283   7.6751   59.150   11.314   85.331   10.446   93.201   8.9582  112.057   6.8791 -18.85610 11.29477 
1 1 1   -6   12   44 o  176.025   4.7658  210.911   11.345  203.641   16.397  217.589   15.714  173.091   6.9904  178.960   6.4798 -5.869049 9.531664 
1 1 1   -6   12   45 o  285.273   5.0048  552.498   19.331  571.272   28.057  535.532   26.672  289.872   7.1426  280.675   7.0125 9.196747 10.00963 
1 1 1   -6   12   46 o  183.560   4.7919  229.511   11.894  218.523   17.114  239.775   16.541  179.278   7.0444  187.841   6.4982 -8.563095 9.583873 
1 1 1   -6   12   47 o  194.931   4.8050  258.729   12.670  243.023   18.023  274.074   17.815  189.050   7.0351  200.812   6.5466 -11.76224 9.609932 
1 1 1   -6   12   48 o  177.596   5.9516  209.773   13.636  199.119   16.690  231.167   23.650  171.098   7.1982  184.094   9.4801 -12.99628 11.90326 
1 1 1   -6   12   49 o  477.654   6.4155  1555.73   41.525  1549.43   58.890  1561.96   58.563  476.678   9.1167  478.630   9.0290 -1.952332 12.83106 
1 1 1   -6   12   50 o  122.793   5.6600  104.626   9.2390   86.118   13.554  120.689   12.627  112.384   8.8997  133.203   6.9954 -20.81880 11.31991 
1 1 1   -6   12   51 o  170.719   5.0067  195.838   11.511  225.759   17.411  172.607   15.341  182.162   7.0532  159.276   7.1077 22.88577 10.01336 
1 1 1   -6   12   52 o  165.192   4.9154  185.973   10.969  181.271   16.048  190.095   15.027  163.199   7.2562  167.185   6.6325 -3.986130 9.830749 
1 1 1   -6   12   53 o   70.221   7.6842   34.918   6.9468   30.636   10.665   38.074   9.1555   65.751   12.425   74.692   9.0453 -8.940590 15.36837 
1 1 1   -6   12   54 o  141.968   6.1552  140.411   11.516  152.868   15.074  122.952   17.846  149.823   7.4246  134.112   9.8194 15.71118 12.31036 
1 1 1   -6   12   55 o  177.574   5.7924  210.471   13.578  196.173   17.108  234.801   22.317  169.700   7.4393  185.447   8.8806 -15.74713 11.58482 
1 1 1   -6   12   56 o  131.162   5.3828  117.126   9.5039  118.388   14.323  116.133   12.703  131.750   8.0222  130.574   7.1793 1.175583 10.76562 
1 1 1   -6   12   57 o  175.438   5.0527  210.002   11.935  207.002   17.853  212.426   16.049  174.246   7.5606  176.630   6.7050 -2.384567 10.10544 
1 1 1   -6   12   58 o  167.989   6.5246  203.137   13.336  169.195   23.905  218.475   16.069  156.869   11.245  179.109   6.6206 -22.23956 13.04928 
1 1 1   -6   12   59 f  180.653   5.0027  222.684   12.197  220.631   18.037  224.414   16.557  179.831   7.4014  181.474   6.7327 -1.642273 10.00548 
1 1 1   -6   12   60 o   97.691   6.3006   65.734   8.2199   63.037   12.604   67.731   10.843   95.840   9.7043   99.542   8.0385 -3.702721 12.60121 
1 1 1   -6   12   61 o  128.644   5.3655  112.951   9.2940  114.359   13.992  111.840   12.433  129.302   7.9854  127.987   7.1684 1.314926 10.73094 
1 1 1   -6   12   62 o  149.720   6.3257  151.405   11.772  160.074   21.717  147.798   14.009  152.338   10.520  147.102   7.0277 5.235931 12.65144 
1 1 1   -6   12   63 o   71.559   11.132   37.851   10.536   30.917   15.136   44.368   14.676   64.726   17.028   78.393   14.343 -13.66648 22.26366 
1 1 1   -6   12   64 o  123.920   6.9235  104.823   11.051  102.291   13.586  109.775   19.001  122.069   8.2129  125.770   11.148 -3.701286 13.84705 
1 1 1   -6   12   65 f   43.844   7.8947   11.784   6.4837  -7.4030   9.8556   26.423   8.6089   25.935   11.978   61.753   10.287 -35.81763 15.78946 
1 1 1   -6   12   66 o  155.199   5.0772  165.738   10.639  156.141   15.418  174.459   14.699  150.800   7.5449  159.599   6.7962 -8.798706 10.15449 
1 1 1   -6   12   67 o   77.655   6.7642   41.774   7.0874   42.359   10.553   41.293   9.5655   78.072   9.9749   77.238   9.1388 0.8337097 13.52837 
1 1 1   -6   12   68 o  172.248   4.9582  202.797   11.543  219.459   17.080  188.788   15.661  178.713   7.0526  165.782   6.9711 12.93143 9.916445 
1 1 1   -6   12   69 o  133.193   5.2837  122.255   9.5138  122.951   13.964  121.651   12.997  133.471   7.7202  132.917   7.2160 0.5541077 10.56749 
1 1 1   -6   12   70 o   97.059   6.0807   66.386   7.8747   56.091   11.501   75.472   10.804   89.616   9.4706  104.501   7.6295 -14.88478 12.16146 
1 1 1   -6   12   71 o  121.232   5.4894  102.673   8.9108   85.273   12.651  119.807   12.553  110.712   8.4321  131.753   7.0311 -21.04094 10.97889 
1 1 1   -6   12   72 o  124.738   6.5540  105.327   10.339  120.019   18.751   98.909   12.394  130.091   10.636  119.385   7.6608 10.70626 13.10809 
1 1 1   -6   12   73 o  167.512   6.4394  205.657   13.615  170.550   22.705  225.369   17.013  154.609   10.837  180.416   6.9588 -25.80768 12.87879 
1 1 1   -6   12   74 o   97.395   8.3653   69.646   10.856   59.517   15.950   78.390   14.819   90.005   13.077  104.784   10.436 -14.77897 16.73052 
1 1 1   -6   12   75 o   92.084   11.417   61.471   14.247   0.0000   0.0000   61.471   14.247  ?   ?    92.084   11.417      ?      ? 
1 1 1   -6   12   76 o   76.755   9.7777   50.627   8.7302   31.333   15.436   59.701   10.586   61.543   17.614   91.967   8.4940 -30.42402 19.55539 
1 1 1   -6   12   77 o   76.937   10.718   46.948   10.764   49.905   14.979   43.790   15.477   80.089   14.327   73.785   15.945 6.304306 21.43593 
1 1 1   -6   12   78 o   51.553   11.952   21.632   9.5828   21.136   12.727   22.282   14.562   51.031   16.301   52.076   17.484 -1.045376 23.90405 
1 1 1   -6   12   79 o   52.066   17.488   22.553   14.568   0.0000   0.0000   22.553   14.568  ?   ?    52.066   17.488      ?      ? 
1 1 1   -6   12   80 o   35.844   15.409   3.6157   13.491   0.0000   0.0000   3.6157   13.491  ?   ?    35.844   15.409      ?      ? 
1 1 1   -6   12   81 o   31.911   9.9874  -0.3656   8.6343   3.4804   11.117  -6.2129   13.708   33.302   14.142   30.520   14.106 2.782505 19.97486 
1 1 1   -6   12   82 o   38.239   10.746   1.8176   8.9447  -9.3592   11.146   22.039   14.992   25.753   12.165   50.724   17.719 -24.97127 21.49261 
1 1 1   -6   12   83 o   80.807   10.245   51.939   10.812   49.010   14.036   56.213   16.957   79.522   13.025   82.092   15.816 -2.570129 20.48918 
1 1 1   -6   12   84 o   35.092   10.232   4.2614   8.7645   13.087   11.228  -9.5014   14.021   41.167   15.213   29.017   13.687 12.14995 20.46393 
1 1 1   -6   12   85 o   90.607   9.9874   62.877   11.468   42.520   14.607   95.596   18.518   70.343   15.719  110.870   12.325 -40.52652 19.97478 
1 1 1   -6   12   86 o   58.918   11.869   30.431   9.9277   23.186   12.806   41.345   15.717   50.654   16.369   67.183   17.192 -16.52847 23.73872 
1 1 1   -6   12   87 o   42.502   11.436   14.388   9.2533   8.5262   12.311   21.999   14.028   36.610   15.167   48.394   17.121 -11.78455 22.87281 
1 1 1   -6   12   88 o   46.167   16.516   20.075   13.089   20.075   13.089   0.0000   0.0000   46.167   16.516  ?   ?       ?      ? 
1 1 1   -6   12   89 o   87.267   13.293   64.099   15.720   64.099   15.720   0.0000   0.0000   87.267   13.293  ?   ?       ?      ? 
1 1 1   -6   12   90 o   54.948   17.061   31.277   14.036   31.277   14.036   0.0000   0.0000   54.948   17.061  ?   ?       ?      ? 
1 1 1   -6   12   91 o   29.508   13.619  -0.4815   12.711  -0.4815   12.711   0.0000   0.0000   29.508   13.619  ?   ?       ?      ? 
1 1 1   -6   13    1 o  125.761   6.5238  105.900   11.031   90.310   14.698  126.003   16.691  115.308   9.4063  136.214   9.0421 -20.90589 13.04755 
1 1 1   -6   13    2 o  274.705   5.7770  503.347   20.664  543.850   34.973  481.623   25.613  282.986   9.1197  266.425   7.0941 16.56039 11.55400 
1 1 1   -6   13    3 o  271.949   4.8844  501.356   17.985  492.414   24.841  511.207   26.073  269.408   6.8042  274.491   7.0093 -5.082092 9.768730 
1 1 1   -6   13    4 o  268.368   4.8760  488.657   17.719  489.180   24.590  488.093   25.555  268.524   6.7576  268.212   7.0311 0.3123169 9.751998 
1 1 1   -6   13    5 o  110.635   5.2757   83.710   7.8453   90.326   10.728   76.104   11.503  115.384   6.8608  105.886   8.0164 9.497917 10.55149 
1 1 1   -6   13    6 o  161.033   4.7391  176.960   10.279  194.372   14.309  158.393   14.776  169.280   6.2377  152.786   7.1364 16.49371 9.478248 
1 1 1   -6   13    7 f  373.169   5.5153  944.755   27.878  932.590   38.743  957.816   40.145  370.686   7.7126  375.652   7.8861 -4.965729 11.03063 
1 1 1   -6   13    8 o  244.614   4.7817  405.033   15.829  388.977   21.698  423.297   23.143  239.448   6.6869  249.781   6.8371 -10.33301 9.563443 
1 1 1   -6   13    9 o  169.368   4.7134  195.193   10.785  205.945   14.973  183.599   15.549  174.240   6.3414  164.496   6.9751 9.744080 9.426834 
1 1 1   -6   13   10 o  555.930   7.0444  2100.01   53.065  2136.74   75.303  2063.77   74.791  560.767   9.9095  551.093   10.015 9.674072 14.08876 
1 1 1   -6   13   11 o  303.604   5.0868  625.404   20.915  622.916   29.035  628.086   30.153  302.984   7.0716  304.223   7.3140 -1.239258 10.17363 
1 1 1   -6   13   12 o  420.452   6.7047  1177.10   32.949  1154.53   37.801  1248.47   67.223  412.507   6.7622  428.397   11.580 -15.89047 13.40945 
1 1 1   -6   13   13 o  515.414   7.6356  1776.57   45.834  1748.85   52.538  1864.86   93.765  507.592   7.6379  523.235   13.224 -15.64249 15.27124 
1 1 1   -6   13   14 o  325.149   5.9511  725.764   22.913  734.291   26.664  701.689   44.803  329.016   5.9803  321.281   10.291 7.735260 11.90217 
1 1 1   -6   13   15 o  560.594   8.1600  2147.34   53.938  2156.76   62.517  2119.91  106.683  563.593   8.1856  557.596   14.119 5.996887 16.31994 
1 1 1   -6   13   16 o  131.762   5.4170  116.864   8.6154  115.692   10.079  120.044   16.602  130.602   5.6948  132.923   9.2166 -2.320923 10.83403 
1 1 1   -6   13   17 o  184.682   5.6787  231.588   13.672  231.575   17.137  231.611   22.674  184.729   6.8457  184.636   9.0623 0.9294128E-01 11.35731 
1 1 1   -6   13   18 o  129.737   5.9009  113.856   10.147  112.163   13.010  116.487   16.214  128.540   7.4687  130.933   9.1379 -2.392914 11.80180 
1 1 1   -6   13   19 o  190.667   5.1155  234.177   11.627  221.477   13.375  273.453   23.521  180.702   5.4619  200.633   8.6510 -19.93076 10.23098 
1 1 1   -6   13   20 o  152.154   5.1899  154.199   9.5465  150.738   11.146  163.728   18.495  149.073   5.5175  155.234   8.7918 -6.161407 10.37970 
1 1 1   -6   13   21 o  237.961   5.2872  373.474   14.938  362.271   17.234  407.326   29.957  231.100   5.5029  244.821   9.0297 -13.72073 10.57434 
1 1 1   -6   13   22 f  187.848   5.1953  236.540   11.727  233.096   13.667  246.152   22.831  185.374   5.4406  190.321   8.8524 -4.946701 10.39064 
1 1 1   -6   13   23 o  269.151   5.5956  496.673   17.939  501.889   20.934  482.258   34.800  271.993   5.6796  266.309   9.6429 5.684265 11.19125 
1 1 1   -6   13   24 o  575.786   8.3226  2243.46   56.244  2228.33   64.862  2289.32  112.923  572.680   8.3579  578.893   14.395 -6.212830 16.64515 
1 1 1   -6   13   25 o  184.198   5.5084  230.177   13.750  230.177   13.750   0.0000   0.0000  184.198   5.5084  ?   ?       ?      ? 
1 1 1   -6   13   26 o  108.252   6.3410   79.535   9.3020   79.535   9.3020   0.0000   0.0000  108.252   6.3410  ?   ?       ?      ? 
1 1 1   -6   13   27 f  266.826   6.2887  483.229   22.739  483.229   22.739   0.0000   0.0000  266.826   6.2887  ?   ?       ?      ? 
1 1 1   -6   13   28 o  240.394   5.3947  386.755   15.488  380.432   17.982  404.928   30.486  236.787   5.6040  244.000   9.2200 -7.213196 10.78948 
1 1 1   -6   13   29 o  248.591   5.4061  410.835   16.085  401.037   18.665  439.110   31.707  243.106   5.6655  254.076   9.2090 -10.97040 10.81218 
1 1 1   -6   13   30 o  151.937   5.8162  161.309   11.439  174.044   14.546  140.662   18.521  160.100   6.7043  143.774   9.5059 16.32516 11.63230 
1 1 1   -6   13   31 o  280.533   6.0416  541.449   21.901  557.055   27.367  513.652   36.524  286.381   7.0519  274.685   9.8120 11.69559 12.08329 
1 1 1   -6   13   32 o  128.767   6.0001  114.517   10.116  120.266   12.941  105.481   16.223  133.055   7.1770  124.479   9.6175 8.575760 12.00024 
1 1 1   -6   13   33 o  222.386   9.0767  336.540   27.354   0.0000   0.0000  336.540   27.354  ?   ?   222.386   9.0767      ?      ? 
1 1 1   -6   13   34 o  210.922   5.2959  301.530   13.589  300.492   16.001  304.216   25.738  210.412   5.6116  211.431   8.9831 -1.019440 10.59175 
1 1 1   -6   13   35 o  235.437   5.7552  382.923   17.529  398.327   22.004  356.175   28.996  242.158   6.7055  228.716   9.3555 13.44206 11.51033 
1 1 1   -6   13   36 o  198.902   4.6658  268.758   12.572  267.739   18.004  269.727   17.562  198.527   6.6924  199.277   6.5032 -0.7500458 9.331650 
1 1 1   -6   13   37 o  197.011   4.7031  263.849   12.548  256.750   17.902  270.705   17.593  194.393   6.7959  199.629   6.5032 -5.236282 9.406197 
1 1 1   -6   13   38 f  227.621   5.9711  347.281   16.954  366.202   31.094  339.276   20.226  231.779   9.8997  223.462   6.6790 8.317703 11.94211 
1 1 1   -6   13   39 o  280.786   6.1743  537.232   21.847  535.599   38.803  537.989   26.436  280.222   10.218  281.349   6.9336 -1.126953 12.34866 
1 1 1   -6   13   40 o  106.098   5.4102   76.750   7.7386   74.590   11.450   78.566   10.500  104.697   8.0705  107.498   7.2075 -2.800697 10.82040 
1 1 1   -6   13   41 o  298.538   5.0562  606.091   20.452  598.437   29.087  613.575   28.762  296.661   7.2352  300.415   7.0650 -3.753662 10.11250 
1 1 1   -6   13   42 o   77.037   6.5923   40.096   6.8490   44.356   10.318   36.739   9.1577   80.658   9.4397   73.417   9.2046 7.240517 13.18455 
1 1 1   -6   13   43 o  192.580   4.8322  252.783   12.577  239.514   18.131  265.089   17.461  187.667   7.1295  197.492   6.5245 -9.824173 9.664312 
1 1 1   -6   13   44 o  271.956   7.1584  502.379   26.313  548.786   38.834  462.987   35.779  283.511   10.108  260.401   10.139 23.10986 14.31689 
1 1 1   -6   13   45 o  147.935   7.3260  150.013   14.634  141.294   21.192  157.962   20.233  143.750   10.879  152.121   9.8151 -8.370758 14.65199 
1 1 1   -6   13   46 f  192.989   4.9921  253.980   13.023  238.038   18.648  269.160   18.196  187.030   7.3575  198.949   6.7492 -11.91882 9.984223 
1 1 1   -6   13   47 o  273.172   7.0756  507.703   26.193   0.0000   0.0000  507.703   26.193  ?   ?   273.172   7.0756      ?      ? 
1 1 1   -6   13   48 o  290.326   5.1218  573.576   20.138  575.969   29.020  571.353   27.969  290.889   7.3618  289.763   7.1228 1.125702 10.24356 
1 1 1   -6   13   49 o   70.482   7.8963   33.653   7.1370   48.173   11.017   23.154   9.3683   83.975   9.6816   56.988   12.477 26.98644 15.79250 
1 1 1   -6   13   50 o  161.959   5.0030  179.191   10.939  167.477   15.809  189.952   15.153  156.823   7.4391  167.094   6.6919 -10.27113 10.00607 
1 1 1   -6   13   51 o  157.638   5.9115  164.008   12.321  146.249   15.502  194.473   20.304  146.492   7.8090  168.784   8.8771 -22.29193 11.82297 
1 1 1   -6   13   52 o  151.863   5.9335  155.621   11.987  148.711   15.392  166.271   19.109  147.712   7.6895  156.014   9.0385 -8.302612 11.86691 
1 1 1   -6   13   53 o  118.665   5.6005   95.174   8.9441  103.271   13.650   89.082   11.840  123.022   8.1880  114.309   7.6433 8.712250 11.20105 
1 1 1   -6   13   54 o  160.544   5.0932  175.926   11.019  172.966   16.396  178.365   14.881  159.258   7.5972  161.830   6.7857 -2.571457 10.18649 
1 1 1   -6   13   55 o   87.229   8.3250   51.622   8.7286   54.148   16.980   50.715   10.176   88.336   14.184   86.123   8.7192 2.212334 16.65006 
1 1 1   -6   13   56 o  146.793   6.6465  151.807   11.865  138.025   21.841  157.578   14.133  141.546   11.387  152.040   6.8595 -10.49339 13.29306 
1 1 1   -6   13   57 o  175.240   5.0693  210.165   11.985  202.262   17.599  217.001   16.368  172.092   7.5464  178.389   6.7709 -6.297379 10.13868 
1 1 1   -6   13   58 o  277.075   5.1329  522.466   19.234  554.019   28.324  495.465   26.201  284.786   7.3393  269.364   7.1779 15.42215 10.26582 
1 1 1   -6   13   59 o  104.955   7.6716   73.858   9.5982   80.857   19.098   71.493   11.102  107.731   13.082  102.179   8.0180 5.551056 15.34323 
1 1 1   -6   13   60 o  161.504   6.6451  183.386   13.034  170.591   24.179  188.628   15.476  156.862   11.375  166.147   6.8734 -9.285599 13.29025 
1 1 1   -6   13   61 o  219.087   6.1462  323.905   17.434  310.073   21.469  350.691   29.876  212.771   7.4457  225.402   9.7809 -12.63097 12.29248 
1 1 1   -6   13   62 o  140.176   5.4143  136.156   10.177  120.997   14.926  149.327   13.913  132.659   8.3027  147.694   6.9515 -15.03516 10.82858 
1 1 1   -6   13   63 o   93.930   6.3707   61.088   8.0245   59.632   12.176   62.205   10.669   92.803   9.6822   95.058   8.2825 -2.254547 12.74147 
1 1 1   -6   13   64 o   88.437   6.5580   55.596   7.6385   45.123   11.467   63.950   10.241   80.477   10.515   96.396   7.8400 -15.91924 13.11593 
1 1 1   -6   13   65 o  127.336   5.3374  112.186   9.1491  105.485   13.482  117.907   12.457  123.658   8.0452  131.015   7.0161 -7.357819 10.67479 
1 1 1   -6   13   66 o   92.083   6.1710   59.668   7.5749   51.871   11.261   66.112   10.237   86.277   9.6314   97.888   7.7174 -11.61185 12.34192 
1 1 1   -6   13   67 o   73.312   7.5306   39.968   6.9134   28.073   10.243   49.921   9.3693   61.730   12.669   84.895   8.1441 -23.16461 15.06113 
1 1 1   -6   13   68 o   62.133   8.1299   28.998   6.5120   20.450   9.6303   36.200   8.8392   52.249   13.504   72.017   9.0572 -19.76818 16.25978 
1 1 1   -6   13   69 o   54.655   9.8119   23.908   7.3425   15.089   13.323   27.755   8.7994   46.643   16.665   62.667   10.362 -16.02365 19.62388 
1 1 1   -6   13   70 o  106.674   7.0967   81.202   9.4413   78.533   16.857   82.422   11.396  104.467   11.908  108.881   7.7238 -4.413994 14.19341 
1 1 1   -6   13   71 o   44.040   14.923   14.108   10.609   0.0000   0.0000   14.108   10.609  ?   ?    44.040   14.923      ?      ? 
1 1 1   -6   13   72 o   35.305   10.314   4.5287   7.8991   5.9009   12.397   3.5909   10.249   37.364   15.322   33.246   13.811 4.118168 20.62828 
1 1 1   -6   13   73 o   64.095   9.5465   29.598   7.5798   37.763   13.673   25.976   9.1072   69.402   14.978   58.788   11.841 10.61391 19.09306 
1 1 1   -6   13   74 o   92.863   9.2227   64.567   11.561   68.479   16.069   60.370   16.645   96.250   12.320   89.476   13.727 6.774002 18.44533 
1 1 1   -6   13   75 o   89.101   9.3998   59.847   11.345   59.994   15.833   59.692   16.263   89.360   13.075   88.841   13.508 0.5189819 18.79966 
1 1 1   -6   13   76 o   74.748   10.835   44.928   10.761   51.660   14.887   37.560   15.573   82.539   13.310   66.957   17.102 15.58252 21.67096 
1 1 1   -6   13   77 o   87.341   9.9632   58.035   11.333   45.486   14.946   75.006   17.381   75.151   15.198   99.531   12.887 -24.38060 19.92638 
1 1 1   -6   13   78 o   98.056   13.509   73.965   17.951   0.0000   0.0000   73.965   17.951  ?   ?    98.056   13.509      ?      ? 
1 1 1   -6   13   79 o   46.563   11.738   15.349   9.5144   7.8860   12.209   26.890   15.182   37.630   15.292   55.496   17.812 -17.86648 23.47606 
1 1 1   -6   13   80 o   34.852   10.616   3.4191   8.9171   2.1379   11.488   5.3606   14.143   32.564   14.109   37.141   15.866 -4.576595 21.23168 
1 1 1   -6   13   81 o   44.415   11.540   15.830   9.2858   19.040   12.207   11.421   14.306   47.596   16.008   41.233   16.625 6.362957 23.07911 
1 1 1   -6   13   82 o   46.337   11.416   18.195   9.4424   24.715   12.251   8.6532   14.820   53.444   15.808   39.230   16.476 14.21478 22.83283 
1 1 1   -6   13   83 o   55.660   11.568   28.636   9.9172   36.326   13.058   18.155   15.244   65.340   15.057   45.980   17.565 19.35993 23.13541 
1 1 1   -6   13   84 o   60.373   11.883   32.173   10.106   24.422   13.104   43.547   15.875   51.694   16.543   69.053   17.063 -17.35857 23.76615 
1 1 1   -6   13   85 o   46.903   11.612   20.247   9.7507   27.303   12.983   11.118   14.767   54.248   16.326   39.557   16.518 14.69170 23.22460 
1 1 1   -6   13   86 o   68.204   11.974   43.590   10.996   37.811   14.694   50.944   16.577   62.895   16.885   73.514   16.982 -10.61889 23.94754 
1 1 1   -6   13   87 o   34.469   14.732   7.0175   12.203   7.0175   12.203   0.0000   0.0000   34.469   14.732  ?   ?       ?      ? 
1 1 1   -6   13   88 o   46.439   16.571   22.147   13.169   22.147   13.169   0.0000   0.0000   46.439   16.571  ?   ?       ?      ? 
1 1 1   -6   13   89 o   54.097   16.964   31.457   13.839   31.457   13.839   0.0000   0.0000   54.097   16.964  ?   ?       ?      ? 
1 1 1   -6   14    1 o  245.144   4.8494  406.801   16.080  390.578   21.934  425.650   23.642  239.882   6.7473  250.406   6.9673 -10.52420 9.698898 
1 1 1   -6   14    2 o  285.885   5.0169  555.344   19.411  587.020   27.432  523.578   27.471  294.073   6.8837  277.697   7.3000 16.37653 10.03372 
1 1 1   -6   14    3 o  258.692   4.8968  454.613   17.146  462.212   23.794  446.405   24.729  260.956   6.7286  256.429   7.1162 4.527466 9.793627 
1 1 1   -6   14    4 o  292.216   6.0343  569.236   22.310  550.598   26.870  610.596   40.027  284.798   6.9623  299.634   9.8579 -14.83640 12.06861 
1 1 1   -6   14    5 o  251.630   5.8098  426.345   18.588  419.367   22.572  441.047   32.763  248.568   6.7009  254.692   9.4928 -6.123199 11.61960 
1 1 1   -6   14    6 o  272.096   5.9401  508.625   20.668  520.558   25.496  485.754   35.297  276.931   6.7938  267.262   9.7459 9.669159 11.88022 
1 1 1   -6   14    7 o  183.968   5.6677  234.126   13.295  243.124   16.422  217.014   22.647  189.275   6.4025  178.662   9.3542 10.61267 11.33547 
1 1 1   -6   14    8 o  180.946   5.5997  219.697   12.951  214.492   15.781  230.433   22.665  177.773   6.5507  184.119   9.0839 -6.345551 11.19944 
1 1 1   -6   14    9 o  141.674   5.8654  141.512   10.501  152.399   13.016  121.209   17.774  149.853   6.4094  133.496   9.8250 16.35696 11.73082 
1 1 1   -6   14   10 f  195.695   5.5985  258.471   14.000  255.210   17.100  265.101   24.385  193.914   6.5072  197.476   9.1121 -3.562775 11.19702 
1 1 1   -6   14   11 o  271.098   7.0699  500.403   25.902  493.769   37.925  506.203   35.461  269.369   10.390  272.827   9.5913 -3.457336 14.13988 
1 1 1   -6   14   12 o  178.847   6.7770  217.138   16.380  222.677   24.198  212.453   22.254  180.928   9.8692  176.765   9.2903 4.163025 13.55399 
1 1 1   -6   14   13 o  216.419   6.7388  319.224   19.717  304.837   28.444  332.530   27.356  211.682   9.9159  221.156   9.1279 -9.473846 13.47751 
1 1 1   -6   14   14 o  128.086   5.8583  109.398   9.6559  105.111   11.810  118.041   16.769  124.424   7.0045  131.748   9.3924 -7.324127 11.71668 
1 1 1   -6   14   15 o  305.428   6.1362  630.091   23.933  622.300   29.213  645.992   41.735  302.733   7.1209  308.123   9.9953 -5.390076 12.27248 
1 1 1   -6   14   16 o  134.850   5.8517  123.660   10.120  123.844   12.449  123.302   17.377  135.061   6.8016  134.638   9.5241 0.4237518 11.70337 
1 1 1   -6   14   17 o  225.845   5.7462  350.523   16.615  359.018   20.526  334.380   28.297  229.970   6.5865  221.721   9.4177 8.249557 11.49241 
1 1 1   -6   14   18 o  206.489   5.5802  286.190   14.762  279.217   18.027  300.381   25.717  202.806   6.5595  210.172   9.0293 -7.366745 11.16045 
1 1 1   -6   14   19 o  225.859   5.6829  344.264   16.435  339.461   20.109  353.927   28.524  223.607   6.6362  228.111   9.2273 -4.503067 11.36586 
1 1 1   -6   14   20 o  102.795   6.6205   75.117   8.6295   82.724   10.816   61.796   14.313  110.361   7.2325   95.230   11.091 15.13113 13.24097 
1 1 1   -6   14   21 o  282.020   7.0222  540.158   26.837  540.158   26.837   0.0000   0.0000  282.020   7.0222  ?   ?       ?      ? 
1 1 1   -6   14   22 o  198.322   6.5941  267.057   17.722  267.057   17.722   0.0000   0.0000  198.322   6.5941  ?   ?       ?      ? 
1 1 1   -6   14   23 o  224.814   5.4143  345.386   14.501  347.558   16.907  339.342   28.205  226.315   5.5129  223.314   9.3201 3.000977 10.82854 
1 1 1   -6   14   24 o  146.124   5.3557  137.701   9.4751  129.444   10.987  161.655   18.715  138.098   5.8712  154.149   8.9589 -16.05132 10.71136 
1 1 1   -6   14   25 o  290.089   5.7440  572.369   19.748  572.630   22.926  571.619   38.876  290.456   5.8247  289.721   9.9018 0.7346802 11.48794 
1 1 1   -6   14   26 o  323.985   5.9332  697.966   22.606  682.460   25.997  746.038   45.775  317.060   6.0505  330.910   10.208 -13.84970 11.86637 
1 1 1   -6   14   27 o   95.443   7.7429   74.434   7.8399   88.895   9.3963   41.302   14.222  114.428   6.0596   76.458   14.251 37.96927 15.48582 
1 1 1   -6   14   28 o  121.683   5.7667  102.559   8.5226  105.025   10.098   96.452   15.891  124.376   5.9910  118.989   9.8552 5.386589 11.53333 
1 1 1   -6   14   29 o  141.362   5.4907  136.729   9.4449  137.849   11.156  133.896   17.746  142.499   5.7773  140.226   9.3387 2.272980 10.98130 
1 1 1   -6   14   30 o  117.253   5.8808   95.406   8.3717   97.894   9.9224   89.260   15.596  120.068   6.0982  114.437   10.057 5.631126 11.76150 
1 1 1   -6   14   31 o  135.302   5.4925  121.762   9.1290  118.199   10.753  130.956   17.274  131.934   6.0146  138.671   9.1921 -6.736374 10.98500 
1 1 1   -6   14   32 o  149.262   5.3936  147.290   9.8104  142.172   11.481  161.141   18.886  144.700   5.8549  153.824   9.0600 -9.124084 10.78722 
1 1 1   -6   14   33 o  107.973   5.9723   77.109   7.9997   73.984   9.4669   84.914   14.960  104.345   6.6950  111.600   9.8920 -7.254959 11.94464 
1 1 1   -6   14   34 o  100.416   7.2741   71.853   9.4625   86.500   12.625   53.077   14.294  112.737   8.2638   88.095   11.973 24.64163 14.54829 
1 1 1   -6   14   35 o  142.321   6.2142  141.694   11.580  156.169   15.074  120.846   18.090  151.543   7.3401  133.099   10.029 18.44354 12.42842 
1 1 1   -6   14   36 o  185.420   5.6069  241.012   12.547  250.226   14.868  218.215   23.388  191.955   5.7157  178.885   9.6478 13.07069 11.21381 
1 1 1   -6   14   37 o  252.292   5.7007  441.604   17.301  451.911   20.376  414.980   32.750  257.944   5.8292  246.639   9.7986 11.30602 11.40140 
1 1 1   -6   14   38 o  312.987   5.9980  677.718   22.560  690.474   26.523  644.345   42.901  318.786   6.1397  307.187   10.306 11.59918 11.99603 
1 1 1   -6   14   39 o  248.252   5.9521  423.634   19.113  433.144   23.870  406.645   31.904  252.375   6.9795  244.129   9.6436 8.245819 11.90428 
1 1 1   -6   14   40 o  170.618   4.8649  197.756   11.239  202.913   16.296  193.078   15.521  172.730   6.9622  168.507   6.7969 4.223328 9.729794 
1 1 1   -6   14   41 o   49.952   10.732   16.070   7.7590   12.134   9.7232   22.970   12.874   43.038   14.284   56.866   16.021 -13.82750 21.46418 
1 1 1   -6   14   42 o  127.795   6.7852  114.634   11.084  122.033   13.838  101.393   18.512  133.886   7.6270  121.705   11.224 12.18129 13.57038 
1 1 1   -6   14   43 o  277.558   5.0483  524.443   18.979  514.131   27.079  534.401   26.609  274.853   7.2702  280.263   7.0061 -5.409973 10.09656 
1 1 1   -6   14   44 o   80.051   7.5675   46.720   7.5444   32.262   11.263   58.486   10.161   67.455   12.789   92.646   8.0931 -25.19083 15.13491 
1 1 1   -6   14   45 o  279.482   5.0701  531.490   19.193  537.350   27.636  526.031   26.676  280.954   7.2586  278.011   7.0807 2.943512 10.14020 
1 1 1   -6   14   46 o  128.745   5.3891  112.827   9.3565  113.761   13.963  112.065   12.605  129.196   7.9752  128.294   7.2503 0.9013519 10.77830 
1 1 1   -6   14   47 o  219.527   5.9213  328.396   16.954  327.476   21.256  330.006   28.108  219.304   7.1525  219.750   9.4387 -0.4467010 11.84257 
1 1 1   -6   14   48 f  128.474   6.3576  110.540   10.874  101.762   13.915  124.308   17.427  122.116   8.4088  134.831   9.5378 -12.71477 12.71524 
1 1 1   -6   14   49 o  134.549   6.4959  124.178   11.598  125.888   15.013  121.649   18.263  135.828   8.1565  133.270   10.112 2.557144 12.99181 
1 1 1   -6   14   50 o  105.177   8.5233   74.368   11.994   92.610   18.582   61.337   15.705  116.004   11.820   94.350   12.283 21.65472 17.04661 
1 1 1   -6   14   51 o   41.008   10.698   9.0086   8.1213   13.545   10.741   2.9526   12.410   45.165   15.014   36.852   15.244 8.313629 21.39614 
1 1 1   -6   14   52 o   86.384   9.3004   58.320   8.8698   41.136   16.724   65.046   10.463   75.177   16.835   97.591   7.9113 -22.41316 18.60082 
1 1 1   -6   14   53 o  196.945   6.1995  266.003   15.172  264.501   27.596  266.654   18.163  196.133   10.383  197.758   6.7774 -1.625229 12.39906 
1 1 1   -6   14   54 o  195.903   4.9639  262.189   13.142  258.239   19.226  265.654   18.006  194.460   7.2958  197.346   6.7329 -2.886673 9.927747 
1 1 1   -6   14   55 f   99.035   6.1672   66.935   8.1886   69.473   12.628   65.093   10.756  100.570   9.2661   97.499   8.1410 3.071014 12.33440 
1 1 1   -6   14   56 o  109.024   7.5514   82.930   9.7682   80.406   18.994   83.837   11.390  107.364   13.055  110.684   7.5937 -3.320404 15.10274 
1 1 1   -6   14   57 o  116.015   7.9622  103.648   10.507   73.096   19.730  115.744   12.414  101.934   14.283  130.096   7.0414 -28.16219 15.92435 
1 1 1   -6   14   58 o  149.737   6.4091  151.164   12.645  141.207   15.892  168.348   20.877  143.388   8.1787  156.085   9.8700 -12.69673 12.81828 
1 1 1   -6   14   59 o   88.344   6.7824   55.639   7.8472   44.922   11.954   63.755   10.402   80.360   10.977   96.328   7.9689 -15.96770 13.56473 
1 1 1   -6   14   60 o   42.835   9.8287   12.098   6.4363   16.230   10.345   9.4884   8.2213   47.551   14.627   38.119   13.132 9.431458 19.65741 
1 1 1   -6   14   61 o   43.367   9.7013   12.770   6.2707   16.201   10.130   10.638   7.9842   47.355   14.460   39.378   12.938 7.976936 19.40258 
1 1 1   -6   14   62 o   56.996   9.0049   23.034   6.6885   28.918   10.691   19.249   8.5738   62.794   12.992   51.197   12.473 11.59724 18.00984 
1 1 1   -6   14   63 o   53.514   8.8346   21.662   6.4682   14.864   10.033   26.497   8.4610   45.474   14.468   61.555   10.143 -16.08078 17.66919 
1 1 1   -6   14   64 o   78.076   6.8428   43.121   7.1220   39.140   10.767   46.217   9.4961   74.579   10.654   81.573   8.5904 -6.993423 13.68570 
1 1 1   -6   14   65 o   73.673   7.1851   37.286   7.0841   46.287   10.970   30.846   9.2784   81.173   9.9723   66.174   10.347 14.99860 14.37013 
1 1 1   -6   14   66 o   75.212   10.478   44.328   10.049   34.748   16.182   50.344   12.822   66.341   17.679   84.083   11.253 -17.74129 20.95675 
1 1 1   -6   14   67 o   64.260   14.289   31.459   12.121   0.0000   0.0000   31.459   12.121  ?   ?    64.260   14.289      ?      ? 
1 1 1   -6   14   68 o  122.620   6.9561  108.232   10.563  102.036   18.947  111.027   12.724  118.876   11.762  126.364   7.4306 -7.487320 13.91225 
1 1 1   -6   14   69 o   21.938   7.4904 -11.2533   6.1985 -17.6494   11.467  -8.6127   7.3678   23.488   11.411   20.388   9.7059 3.099733 14.98073 
1 1 1   -6   14   70 o   35.516   10.284   4.7972   7.8306   8.4656   12.087   2.1442   10.279   39.020   15.431   32.012   13.597 7.007370 20.56705 
1 1 1   -6   14   71 o   95.787   7.3818   64.325   9.0316   71.902   15.969   60.762   10.951   98.941   11.910   92.633   8.7239 6.307816 14.76367 
1 1 1   -6   14   72 f  112.538   8.3446   93.332   12.725   92.589   18.027   94.071   17.966  112.036   11.874  113.041   11.728 -1.005463 16.68930 
1 1 1   -6   14   73 o   79.232   10.646   49.886   11.010   49.477   15.367   50.318   15.782   79.008   14.899   79.455   15.211 -0.4468765 21.29270 
1 1 1   -6   14   74 o   69.608   11.402   39.900   10.541   40.575   14.625   39.170   15.206   70.563   15.699   68.654   16.540 1.909264 22.80471 
1 1 1   -6   14   75 o   57.271   12.008   27.324   9.9261   23.488   13.059   32.573   15.275   53.002   16.457   61.540   17.491 -8.538040 24.01575 
1 1 1   -6   14   76 o   68.984   17.053   40.604   15.851   0.0000   0.0000   40.604   15.851  ?   ?    68.984   17.053      ?      ? 
1 1 1   -6   14   77 o   92.562   9.5367   66.192   11.902   63.623   15.948   69.422   17.881   91.018   12.930   94.105   14.022 -3.087181 19.07345 
1 1 1   -6   14   78 o   52.399   11.831   24.008   9.6265   27.124   12.672   19.757   14.803   56.428   15.894   48.369   17.531 8.059666 23.66298 
1 1 1   -6   14   79 o   46.976   11.825   18.303   9.4237   15.521   12.491   21.978   14.358   43.897   16.074   50.054   17.348 -6.157330 23.64996 
1 1 1   -6   14   80 o   34.317   10.462   2.4024   8.8615  -3.0851   11.550   10.256   13.817   29.018   13.240   39.616   16.203 -10.59774 20.92437 
1 1 1   -6   14   81 o   62.137   11.988   35.430   10.414   37.797   13.993   32.491   15.593   65.649   15.898   58.624   17.946 7.024395 23.97531 
1 1 1   -6   14   82 o   37.165   10.993   8.3717   9.1726   7.4732   12.039   9.6152   14.163   35.792   14.927   38.537   16.141 -2.744137 21.98530 
1 1 1   -6   14   83 o   38.546   10.007   1.0420   8.8682 -19.2958   11.684   28.685   13.621   22.182   10.929   54.910   16.767 -32.72742 20.01442 
1 1 1   -6   14   84 o   35.710   10.658   6.9308   9.3595   14.133   12.552  -2.0885   14.047   40.454   15.808   30.965   14.301 9.489042 21.31692 
1 1 1   -6   14   85 o   32.632   14.380   4.3084   12.378   4.3084   12.378   0.0000   0.0000   32.632   14.380  ?   ?       ?      ? 
1 1 1   -6   14   86 o   35.446   15.081   9.1583   12.685   9.1583   12.685   0.0000   0.0000   35.446   15.081  ?   ?       ?      ? 
1 1 1   -6   15    1 f  114.106   5.3821   88.806   8.2845   92.850   11.357   84.206   12.112  116.911   7.1683  111.301   8.0302 5.610817 10.76423 
1 1 1   -6   15    2 o  232.105   4.8308  366.113   15.173  370.868   20.992  360.910   21.957  233.700   6.6285  230.509   7.0291 3.190384 9.661541 
1 1 1   -6   15    3 o  164.620   4.8287  183.952   10.737  182.910   14.587  185.184   15.861  164.126   6.5587  165.113   7.0887 -0.9877014 9.657455 
1 1 1   -6   15    4 o  224.863   4.8313  343.080   14.703  337.500   20.212  349.351   21.426  222.934   6.6905  226.793   6.9717 -3.858826 9.662652 
1 1 1   -6   15    5 o  107.397   6.7722   73.122   9.4588   99.106   16.464   60.318   11.557  120.636   10.071   94.159   9.0570 26.47739 13.54439 
1 1 1   -6   15    6 o  185.530   5.9470  232.452   14.218  239.210   24.358  228.960   17.511  187.463   9.5882  183.597   7.0381 3.866028 11.89405 
1 1 1   -6   15    7 o   85.007   7.8509   46.935   8.6798   57.583   15.029   41.606   10.632   91.851   12.074   78.164   10.038 13.68703 15.70183 
1 1 1   -6   15    8 o  296.549   5.1189  596.117   20.538  575.284   28.098  620.017   30.095  291.010   7.1251  302.088   7.3515 -11.07758 10.23776 
1 1 1   -6   15    9 o  225.303   4.8230  344.539   14.697  341.337   20.130  348.196   21.510  224.198   6.6256  226.409   7.0106 -2.211105 9.646080 
1 1 1   -6   15   10 o  130.729   5.0718  115.542   8.9436  110.642   11.987  121.693   13.432  127.629   6.9309  133.828   7.4064 -6.199020 10.14354 
1 1 1   -6   15   11 o   89.117   6.0132   54.446   7.1949   58.227   9.7635   49.952   10.644   92.557   7.7842   85.676   9.1674 6.880066 12.02646 
1 1 1   -6   15   12 o  200.712   4.8329  273.339   13.102  270.222   17.774  277.048   19.388  199.478   6.5751  201.945   7.0848 -2.467178 9.665726 
1 1 1   -6   15   13 o   90.530   6.4376   54.291   6.9275   52.759   8.0010   58.877   13.846   88.138   6.6988   92.922   10.995 -4.784126 12.87529 
1 1 1   -6   15   14 o  118.547   5.7634   92.279   8.0552   89.099   9.2503  102.255   16.384  114.564   5.9583  122.530   9.8673 -7.965698 11.52677 
1 1 1   -6   15   15 o  113.552   6.0668   82.860   7.9018   78.936   8.9331   96.969   16.941  107.826   6.1135  119.277   10.481 -11.45058 12.13350 
1 1 1   -6   15   16 f  111.513   6.0265   84.423   9.1069   84.423   9.1069   0.0000   0.0000  111.513   6.0265  ?   ?       ?      ? 
1 1 1   -6   15   17 o  143.945   5.6241  140.640   10.971  140.640   10.971   0.0000   0.0000  143.945   5.6241  ?   ?       ?      ? 
1 1 1   -6   15   18 o  153.875   5.3437  155.810   9.8245  150.386   11.362  171.882   19.558  148.847   5.6329  158.903   9.0825 -10.05632 10.68741 
1 1 1   -6   15   19 o  155.439   5.5682  168.822   10.255  173.974   11.999  154.864   19.750  160.098   5.5305  150.779   9.6661 9.318954 11.13646 
1 1 1   -6   15   20 o   82.666   6.7489   45.613   6.8750   44.356   8.1197   48.797   12.921   80.781   7.4174   84.551   11.277 -3.770676 13.49784 
1 1 1   -6   15   21 o  211.880   5.3348  295.789   13.402  286.291   15.445  324.752   26.969  205.368   5.5496  218.391   9.1128 -13.02373 10.66966 
1 1 1   -6   15   22 o  176.795   5.4190  209.534   11.367  206.404   13.155  218.760   22.584  174.372   5.5670  179.217   9.2990 -4.844864 10.83801 
1 1 1   -6   15   23 f  130.770   5.7880  116.370   9.0943  116.398   10.639  116.292   17.527  130.924   5.9962  130.616   9.9019 0.3077393 11.57593 
1 1 1   -6   15   24 o  206.975   5.3809  286.684   13.254  281.775   15.356  301.024   26.246  203.730   5.5620  210.220   9.2131 -6.490082 10.76180 
1 1 1   -6   15   25 f  120.468   5.6394   90.862   8.3285   81.578   9.6693  117.546   16.393  109.578   6.5116  131.358   9.2093 -21.77954 11.27883 
1 1 1   -6   15   26 o  224.064   5.4175  330.500   14.446  319.198   16.674  364.529   28.932  216.820   5.6748  231.307   9.2300 -14.48759 10.83498 
1 1 1   -6   15   27 o  203.014   5.4348  279.235   13.198  277.981   15.382  282.737   25.698  202.338   5.6099  203.689   9.3101 -1.351303 10.86966 
1 1 1   -6   15   28 o  121.259   5.9254  101.015   8.7093  102.176   10.272   98.046   16.426  122.641   6.1807  119.877   10.111 2.763908 11.85076 
1 1 1   -6   15   29 o   60.632   8.6699   23.533   6.4575   19.290   7.6742   33.825   11.951   52.150   11.194   69.114   13.242 -16.96428 17.33974 
1 1 1   -6   15   30 o  100.472   6.8394   68.058   9.1705   64.566   11.846   73.279   14.486   97.339   8.9809  103.605   10.318 -6.266235 13.67890 
1 1 1   -6   15   31 o  136.867   6.3203  128.655   11.428  132.400   14.735  123.002   18.103  139.480   7.7957  134.253   9.9505 5.226852 12.64062 
1 1 1   -6   15   32 o  202.389   5.5015  275.804   13.373  272.410   15.593  285.244   26.006  200.265   5.7458  204.512   9.3836 -4.247772 11.00303 
1 1 1   -6   15   33 o  289.656   5.8602  572.863   20.241  574.452   23.594  568.435   39.396  290.778   5.9876  288.535   10.076 2.242188 11.72041 
1 1 1   -6   15   34 o  249.093   5.6238  416.491   16.794  409.803   19.544  435.368   32.836  245.602   5.8723  252.585   9.5930 -6.983231 11.24761 
1 1 1   -6   15   35 o  228.535   5.7108  364.255   15.691  374.923   18.505  336.961   29.599  234.916   5.8128  222.154   9.8319 12.76265 11.42164 
1 1 1   -6   15   36 o  104.577   7.1034   77.728   9.1968   82.889   11.180   66.925   16.175  110.354   7.4760   98.800   12.081 11.55380 14.20690 
1 1 1   -6   15   37 o  300.143   6.1794  612.331   25.134  612.331   25.134   0.0000   0.0000  300.143   6.1794  ?   ?       ?      ? 
1 1 1   -6   15   38 o  213.639   5.9209  310.175   17.142  310.175   17.142   0.0000   0.0000  213.639   5.9209  ?   ?       ?      ? 
1 1 1   -6   15   39 o  165.981   5.7535  191.307   11.693  196.354   13.937  179.312   21.487  169.961   6.0513  162.001   9.7874 7.960251 11.50702 
1 1 1   -6   15   40 o  223.208   5.6129  343.794   15.281  349.601   18.122  329.502   28.430  226.794   5.8965  219.622   9.5525 7.171829 11.22579 
1 1 1   -6   15   41 o  225.310   5.5397  339.523   15.259  331.385   17.940  360.813   29.018  220.783   5.9961  229.836   9.3167 -9.053452 11.07944 
1 1 1   -6   15   42 o  222.162   5.8884  332.817   16.939  323.987   20.927  349.597   28.847  218.142   7.0792  226.182   9.4115 -8.040161 11.77678 
1 1 1   -6   15   43 o  165.396   5.9642  186.057   12.928  184.251   16.291  189.129   21.247  164.462   7.3098  166.330   9.4262 -1.868256 11.92839 
1 1 1   -6   15   44 o   61.879   9.5063   28.988   8.0713   40.880   10.788   13.867   12.165   77.244   10.306   46.514   15.977 30.72942 19.01252 
1 1 1   -6   15   45 o  122.825   5.4135  102.076   8.9594  110.247   13.575   95.769   11.926  127.123   7.8800  118.527   7.4249 8.595612 10.82694 
1 1 1   -6   15   46 o   90.485   6.3758   55.415   7.7070   59.396   12.120   52.713   9.9863   93.128   9.6034   87.843   8.3891 5.284683 12.75157 
1 1 1   -6   15   47 o  182.923   4.9446  224.395   12.157  264.486   18.580  194.383   16.075  196.983   6.9604  168.862   7.0250 28.12082 9.889290 
1 1 1   -6   15   48 o  159.348   5.0588  172.805   10.858  176.767   16.356  169.684   14.519  160.924   7.5002  157.771   6.7907 3.152664 10.11758 
1 1 1   -6   15   49 o   38.716   10.393   3.4725   6.7826   16.732   14.116  -0.5077   7.7339   50.368   17.213   27.064   11.651 23.30372 20.78518 
1 1 1   -6   15   50 o  146.258   5.1722  146.130   10.180  145.979   15.317  146.250   13.625  146.121   7.7353  146.395   6.8682 -0.2741852 10.34439 
1 1 1   -6   15   51 o   80.053   7.5727   47.717   7.4349   33.014   11.502   58.269   9.7444   67.825   12.987   92.281   7.7922 -24.45631 15.14538 
1 1 1   -6   15   52 o  153.820   6.3334  159.766   12.016  169.376   22.477  155.921   14.217  156.579   10.593  151.062   6.9452 5.517548 12.66680 
1 1 1   -6   15   53 o   80.927   9.6792   53.365   8.4957   34.573   16.518   60.124   9.9064   68.190   17.715   93.664   7.8048 -25.47418 19.35839 
1 1 1   -6   15   54 o   88.168   8.0219   46.293   8.5631   72.929   17.643   38.085   9.7940  102.074   12.755   74.262   9.7323 27.81184 16.04387 
1 1 1   -6   15   55 o   85.023   9.8725   51.934   11.018   49.994   16.483   53.501   14.814   82.674   15.275   87.372   12.512 -4.697411 19.74493 
1 1 1   -6   15   56 o  125.701   7.8322  109.125   13.274  124.914   19.850   96.354   17.852  133.890   10.941  117.511   11.211 16.37920 15.66441 
1 1 1   -6   15   57 o  115.917   6.8116   91.895   10.426   87.607   13.197   99.017   17.006  112.632   8.6463  119.202   10.528 -6.569618 13.62314 
1 1 1   -6   15   58 o   62.974   8.4055   28.939   6.8525   25.645   10.662   31.257   8.9444   58.926   13.624   67.021   9.8482 -8.094692 16.81095 
1 1 1   -6   15   59 o   67.941   7.7105   32.951   6.8312   31.998   10.479   33.655   9.0087   66.359   12.099   69.523   9.5620 -3.164406 15.42100 
1 1 1   -6   15   60 o   79.121   6.8690   44.197   7.2243   40.935   11.105   46.591   9.5125   76.299   10.740   81.944   8.5663 -5.644928 13.73810 
1 1 1   -6   15   61 o   85.831   6.4555   51.354   7.4242   51.664   11.388   51.124   9.7910   85.873   9.7861   85.790   8.4218 0.8265686E-01 12.91106 
1 1 1   -6   15   62 o   45.661   10.656   14.597   8.6655   0.6093   14.055   23.175   11.007   36.046   15.611   55.277   14.510 -19.23046 21.31297 
1 1 1   -6   15   63 o   59.285   10.904   26.953   7.9506   26.002   16.519   27.240   9.0702   57.641   18.588   60.930   11.404 -3.288883 21.80728 
1 1 1   -6   15   64 o   70.564   9.1176   33.199   7.7256   45.969   15.156   28.716   8.9798   77.563   14.961   63.564   10.425 13.99836 18.23513 
1 1 1   -6   15   65 o   36.097   9.5087   7.8748   6.6537  -5.1803   13.150   12.368   7.7140   31.262   14.211   40.931   12.638 -9.669289 19.01735 
1 1 1   -6   15   66 o   38.609   10.335   8.4627   6.8364   12.431   12.826   6.8879   8.0797   43.179   16.199   34.039   12.839 9.139881 20.67010 
1 1 1   -6   15   67 o   47.095   11.193   16.430   8.3589   20.636   13.067   13.517   10.875   51.099   16.537   43.091   15.089 8.007736 22.38659 
1 1 1   -6   15   68 o   37.243   10.252   6.6110   8.1294  -3.3935   12.403   14.146   10.764   30.921   13.953   43.565   15.025 -12.64394 20.50482 
1 1 1   -6   15   69 o   45.082   11.648   15.014   9.2768   14.090   13.188   15.919   13.052   44.255   16.460   45.908   16.485 -1.653561 23.29599 
1 1 1   -6   15   70 o   34.660   10.582   2.3705   9.0762   2.5003   12.691   2.2345   12.985   34.595   14.909   34.724   15.022 -0.1287918 21.16456 
1 1 1   -6   15   71 o  103.737   8.6251   80.497   12.122   81.680   17.076   79.295   17.212  104.627   12.044  102.846   12.350 1.781197 17.25022 
1 1 1   -6   15   72 o   49.583   11.725   20.267   9.3649   23.173   12.805   16.926   13.732   52.736   16.282   46.429   16.876 6.307072 23.45016 
1 1 1   -6   15   73 o   63.266   11.182   31.932   10.202   16.807   13.497   52.087   15.581   46.070   16.733   80.461   14.836 -34.39076 22.36307 
1 1 1   -6   15   74 o   28.643   13.345  -7.3500   12.647   0.0000   0.0000  -7.3500   12.647  ?   ?    28.643   13.345      ?      ? 
1 1 1   -6   15   75 o   30.796   9.7316  -2.9946   8.5431 -10.0939   11.730   5.0239   12.467   26.154   12.392   35.438   15.009 -9.283909 19.46311 
1 1 1   -6   15   76 o   44.832   10.095   8.9597   8.9011  -9.7475   11.717   34.486   13.687   26.178   12.398   63.485   15.934 -37.30676 20.18922 
1 1 1   -6   15   77 o   43.464   11.316   15.094   9.1078   20.272   12.347   8.9140   13.490   48.417   16.097   38.511   15.909 9.906055 22.63231 
1 1 1   -6   15   78 o   60.716   10.463   28.614   10.172   8.2526   13.354   56.751   15.698   37.630   15.710   83.802   13.823 -46.17199 20.92595 
1 1 1   -6   15   79 o   63.484   11.835   36.212   10.316   30.447   13.699   43.763   15.680   57.594   16.626   69.375   16.847 -11.78082 23.66951 
1 1 1   -6   15   80 o   38.407   11.070   10.671   9.0338   10.474   12.025   10.925   13.688   37.885   15.254   38.928   16.048 -1.043465 22.14070 
1 1 1   -6   15   81 o   75.031   11.028   50.391   10.823   47.140   14.697   54.241   15.998   72.521   15.429   77.541   15.762 -5.020172 22.05627 
1 1 1   -6   15   82 o   48.954   11.640   23.824   9.4681   29.354   12.969   17.512   13.855   54.981   16.265   42.926   16.654 12.05507 23.27932 
1 1 1   -6   15   83 o   46.951   12.010   22.997   9.8030   22.089   13.438   24.029   14.332   46.303   16.715   47.599   17.250 -1.295780 24.01970 
1 1 1   -6   15   84 o   31.386   14.025   3.6963   12.195   3.6963   12.195   0.0000   0.0000   31.386   14.025  ?   ?       ?      ? 
1 1 1   -6   16    1 o  101.515   5.8090   71.073   7.8696   77.458   10.573   63.144   11.783  106.740   7.3097   96.289   9.0304 10.45062 11.61808 
1 1 1   -6   16    2 o  130.526   5.2646  114.850   9.2714  104.730   12.437  127.509   13.910  124.112   7.3947  136.940   7.4955 -12.82777 10.52920 
1 1 1   -6   16    3 o  213.879   4.8804  311.549   14.099  320.638   19.347  301.258   20.588  217.242   6.5720  210.516   7.2168 6.726074 9.760809 
1 1 1   -6   16    4 o  121.938   5.3481  101.967   8.7442  108.550   11.793   93.928   13.033  126.384   6.8854  117.492   8.1854 8.892006 10.69624 
1 1 1   -6   16    5 o   97.102   6.0477   66.123   7.7170   78.681   10.462   51.138   11.429  107.586   7.1761   86.618   9.7365 20.96855 12.09533 
1 1 1   -6   16    6 o  109.538   5.6459   82.250   8.2973   87.091   11.188   76.333   12.369  113.184   7.2944  105.893   8.6195 7.291237 11.29178 
1 1 1   -6   16    7 o  276.398   5.0593  516.805   18.896  486.991   25.571  552.669   28.046  267.672   7.0497  285.124   7.2587 -17.45227 10.11861 
1 1 1   -6   16    8 o  226.758   7.1728  349.537   22.041   0.0000   0.0000  349.537   22.041  ?   ?   226.758   7.1728      ?      ? 
1 1 1   -6   16    9 o  110.114   7.2546   75.268   9.5644   67.880   10.950   99.041   19.643   99.883   8.0900  120.346   12.044 -20.46323 14.50914 
1 1 1   -6   16   10 o  172.352   6.3914  203.210   13.303  204.290   15.630  200.369   25.341  173.393   6.6517  171.311   10.916 2.082397 12.78284 
1 1 1   -6   16   11 o  142.747   6.6735  139.686   11.311  140.591   13.167  137.136   22.098  143.835   6.7552  141.660   11.511 2.174164 13.34698 
1 1 1   -6   16   12 o  111.133   5.5630   83.935   8.3038   83.383   11.017   84.660   12.635  110.740   7.3417  111.526   8.3599 -0.7868118 11.12599 
1 1 1   -6   16   13 o   88.069   6.4866   49.321   6.9530   45.318   8.0600   60.965   13.746   81.640   7.2853   94.499   10.735 -12.85875 12.97330 
1 1 1   -6   16   14 o  129.915   5.9832  120.653   9.1096  127.129   10.672  103.265   17.488  136.826   5.7555  123.005   10.491 13.82169 11.96647 
1 1 1   -6   16   15 o  331.987   6.1451  753.460   23.996  756.445   27.777  744.677   47.644  333.706   6.1424  330.268   10.645 3.438721 12.29022 
1 1 1   -6   16   16 f  282.466   5.8350  547.831   19.383  552.741   22.463  533.518   38.353  285.292   5.8102  279.639   10.121 5.652252 11.67006 
1 1 1   -6   16   17 o  151.829   5.6006  151.207   10.069  145.587   11.584  168.585   20.370  146.413   5.8382  157.246   9.5595 -10.83278 11.20127 
1 1 1   -6   16   18 o  214.839   5.5157  308.688   13.936  303.401   16.047  324.914   28.113  211.378   5.6020  218.299   9.5032 -6.921158 11.03148 
1 1 1   -6   16   19 f  193.215   5.6660  262.867   12.869  272.530   15.025  236.252   24.937  200.338   5.5343  186.091   9.8886 14.24706 11.33193 
1 1 1   -6   16   20 o  249.497   5.7439  430.608   16.856  437.845   19.577  409.866   33.145  253.913   5.6897  245.082   9.9798 8.830673 11.48773 
1 1 1   -6   16   21 o  241.595   5.6002  391.515   15.979  385.667   18.448  409.078   31.972  238.297   5.7129  244.893   9.6340 -6.595856 11.20049 
1 1 1   -6   16   22 o  141.508   5.8676  136.814   9.8555  137.304   11.461  135.423   19.307  142.168   5.9489  140.847   10.116 1.321426 11.73526 
1 1 1   -6   16   23 o  187.872   5.4961  229.111   12.231  218.220   14.043  263.341   24.895  179.239   5.7814  196.506   9.3489 -17.26718 10.99213 
1 1 1   -6   16   24 o  213.991   5.6812  319.403   14.382  327.921   16.799  296.018   27.834  219.729   5.6417  208.254   9.8628 11.47520 11.36232 
1 1 1   -6   16   25 o  300.850   5.9816  612.851   21.235  608.959   24.558  624.382   42.275  299.370   6.0535  302.330   10.319 -2.960358 11.96323 
1 1 1   -6   16   26 f  199.415   6.0222  264.754   15.669  249.291   19.422  293.583   26.519  191.394   7.4881  207.437   9.4337 -16.04266 12.04432 
1 1 1   -6   16   27 o  232.764   6.1501  369.675   18.666  370.673   23.425  367.941   30.892  233.386   7.4068  232.143   9.8200 1.243042 12.30015 
1 1 1   -6   16   28 o  316.666   6.0940  676.551   22.818  669.349   26.389  697.886   45.421  313.816   6.2054  319.516   10.490 -5.700256 12.18809 
1 1 1   -6   16   29 o  199.170   6.3077  281.643   16.192  316.635   20.812  227.977   25.773  215.724   7.1191  182.616   10.415 33.10809 12.61533 
1 1 1   -6   16   30 o  114.473   6.1980   79.699   8.8670   66.314   10.378  115.878   17.063   98.680   7.7611  130.266   9.6656 -31.58530 12.39590 
1 1 1   -6   16   31 f  163.397   5.6036  170.970   11.043  159.232   12.757  206.066   22.058  153.052   6.1506  173.742   9.3686 -20.69031 11.20720 
1 1 1   -6   16   32 o  225.410   5.6101  337.591   15.038  328.673   17.381  364.147   29.993  219.919   5.8320  230.902   9.5855 -10.98323 11.22021 
1 1 1   -6   16   33 o   40.929   13.049   11.307   8.1586   11.307   8.1586   0.0000   0.0000   40.929   13.049  ?   ?       ?      ? 
1 1 1   -6   16   34 o   94.920   8.7275   61.474   11.226   61.474   11.226   0.0000   0.0000   94.920   8.7275  ?   ?       ?      ? 
1 1 1   -6   16   35 o  183.497   6.1395  235.201   14.290  246.397   17.619  213.673   24.432  190.277   6.8329  176.716   10.202 13.56102 12.27900 
1 1 1   -6   16   36 o  103.823   6.9839   71.338   9.3892   66.129   11.498   81.762   16.266   98.436   8.6198  109.210   10.991 -10.77373 13.96780 
1 1 1   -6   16   37 o  103.027   6.9278   67.989   9.3408   55.058   11.535   92.616   15.919   89.737   9.4859  116.317   10.099 -26.58041 13.85550 
1 1 1   -6   16   38 o  114.719   6.2595   82.350   9.0486   70.994   10.688  111.086   17.002  102.042   7.7292  127.396   9.8481 -25.35450 12.51900 
1 1 1   -6   16   39 o   96.492   7.0060   62.519   8.5363   60.432   10.266   67.195   15.367   94.107   8.0499   98.876   11.469 -4.769196 14.01199 
1 1 1   -6   16   40 o  159.515   5.6285  165.274   11.091  154.348   13.021  194.153   21.169  150.579   6.3812  168.450   9.2736 -17.87065 11.25701 
1 1 1   -6   16   41 o  147.381   5.7441  143.686   10.591  136.734   12.596  160.455   19.563  141.691   6.5600  153.071   9.4312 -11.37967 11.48829 
1 1 1   -6   16   42 o  120.593   6.1338   97.071   9.4043   92.802   11.354  106.399   16.783  116.651   7.1827  124.535   9.9449 -7.883759 12.26756 
1 1 1   -6   16   43 o   81.427   7.2246   44.151   7.6580   40.825   9.4387   50.556   13.100   77.202   9.0220   85.651   11.286 -8.448616 14.44917 
1 1 1   -6   16   44 o   55.370   9.7918   21.116   7.0965   18.218   8.8046   26.489   11.989   50.315   12.863   60.426   14.767 -10.11176 19.58360 
1 1 1   -6   16   45 o  116.142   6.8434   92.381   10.674   90.417   14.112   95.008   16.317  114.803   9.0709  117.482   10.249 -2.678619 13.68678 
1 1 1   -6   16   46 o   72.624   9.2402   37.745   8.8002   43.226   12.213   31.827   12.691   79.045   11.402   66.202   14.544 12.84308 18.48031 
1 1 1   -6   16   47 o  119.557   6.7589   97.003   10.856   88.309   14.257  109.003   16.749  113.323   9.2837  125.792   9.8257 -12.46864 13.51783 
1 1 1   -6   16   48 o   67.358   11.203   32.745   9.9231   37.242   15.627   29.707   12.845   71.042   16.541   63.674   15.113 7.367924 22.40578 
1 1 1   -6   16   49 o  102.208   7.5932   72.742   9.3993   71.584   17.761   73.193   11.078  101.119   12.961  103.296   7.9137 -2.176620 15.18631 
1 1 1   -6   16   50 o   86.340   6.6645   52.167   7.6146   47.743   11.828   55.298   9.9509   82.975   10.519   89.704   8.1859 -6.729744 13.32897 
1 1 1   -6   16   51 o   41.852   10.300   10.702   7.6729   17.028   10.271   2.7146   11.542   48.568   14.500   35.136   14.631 13.43254 20.59908 
1 1 1   -6   16   52 o   45.472   10.664   14.405   7.7927   17.459   10.125   9.9685   12.205   48.992   14.337   41.953   15.790 7.038258 21.32785 
1 1 1   -6   16   53 f  129.122   5.3156  114.370   9.2495  117.237   13.901  112.092   12.391  130.482   7.8614  127.762   7.1568 2.719681 10.63113 
1 1 1   -6   16   54 o   79.561   7.2444   47.074   7.1433   32.936   10.818   58.003   9.5117   67.357   12.305   91.764   7.6490 -24.40666 14.48888 
1 1 1   -6   16   55 o   57.342   8.5756   24.612   6.4647   19.138   10.067   28.453   8.4335   50.803   14.116   63.881   9.7422 -13.07754 17.15126 
1 1 1   -6   16   56 o   44.564   9.5399   14.175   6.1854   16.534   9.6611   12.536   8.0520   47.375   14.044   41.753   12.915 5.622799 19.07976 
1 1 1   -6   16   57 o   57.077   10.149   24.234   7.8008   21.676   10.356   27.587   11.860   53.720   14.062   60.433   14.637 -6.712395 20.29725 
1 1 1   -6   16   58 o   92.250   8.6434   59.831   10.687   68.889   16.691   53.539   13.912   97.908   12.580   86.591   11.856 11.31725 17.28674 
1 1 1   -6   16   59 o   62.020   8.4790   27.476   6.7578   33.761   10.848   23.490   8.6388   67.643   12.287   56.396   11.688 11.24718 16.95794 
1 1 1   -6   16   60 o   82.816   8.2317   45.645   8.3179   58.031   16.385   41.345   9.6545   88.972   13.590   76.660   9.2934 12.31139 16.46342 
1 1 1   -6   16   61 o   30.210   9.3572   0.3766   6.5282  -3.0009   13.295   1.4497   7.4939   32.650   14.613   27.769   11.692 4.881056 18.71437 
1 1 1   -6   16   62 o   75.198   10.733   44.289   10.656   35.906   15.680   51.484   14.526   66.675   17.230   83.721   12.804 -17.04533 21.46638 
1 1 1   -6   16   63 o   69.191   11.072   38.037   10.142   35.230   14.692   40.591   14.016   66.191   16.451   72.191   14.824 -6.000023 22.14494 
1 1 1   -6   16   64 o   53.001   10.321   17.874   8.8497   41.000   14.091   2.8089   11.373   72.298   14.878   33.703   14.308 38.59520 20.64163 
1 1 1   -6   16   65 o   36.210   10.237   2.7246   8.0638   15.558   12.782  -5.7592   10.393   45.574   16.319   26.846   12.364 18.72763 20.47395 
1 1 1   -6   16   66 f   67.600   11.243   37.396   10.368   26.019   14.525   49.214   14.804   55.856   17.358   79.344   14.295 -23.48788 22.48597 
1 1 1   -6   16   67 o  107.669   8.5647   86.123   12.262  108.144   17.911   66.699   16.822  121.546   10.874   93.791   13.235 27.75546 17.12932 
1 1 1   -6   16   68 o   52.869   11.991   23.342   9.8135   19.918   13.927   26.719   13.831   49.406   17.088   56.332   16.827 -6.926422 23.98226 
1 1 1   -6   16   69 o   43.000   11.232   12.601   9.0572   5.2767   12.517   20.652   13.122   36.053   15.141   49.947   16.595 -13.89355 22.46421 
1 1 1   -6   16   70 o   58.129   11.875   28.152   10.009   21.095   13.342   37.239   15.139   50.176   16.736   66.082   16.853 -15.90593 23.75073 
1 1 1   -6   16   71 o   80.482   15.318   53.035   16.096   0.0000   0.0000   53.035   16.096  ?   ?    80.482   15.318      ?      ? 
1 1 1   -6   16   72 o   34.960   15.114   3.5038   13.126   0.0000   0.0000   3.5038   13.126  ?   ?    34.960   15.114      ?      ? 
1 1 1   -6   16   73 o   31.982   9.9526   1.1106   8.3531   1.5487   11.424   0.6072   12.245   31.851   13.930   32.113   14.219 -0.2616310 19.90528 
1 1 1   -6   16   74 o   43.447   11.510   14.950   9.2196   11.389   12.676   18.950   13.434   39.982   15.805   46.912   16.738 -6.929958 23.02078 
1 1 1   -6   16   75 o   45.401   11.720   17.083   9.4321   12.317   12.569   23.225   14.270   40.396   15.810   50.407   17.305 -10.01064 23.43945 
1 1 1   -6   16   76 o   41.335   10.948   12.754   9.1499   22.058   12.391   1.5968   13.569   49.431   16.111   33.239   14.828 16.19199 21.89584 
1 1 1   -6   16   77 o   43.601   10.719   11.410   9.2689  -4.5514   12.295   32.422   14.107   28.535   13.249   58.668   16.853 -30.13295 21.43751 
1 1 1   -6   16   78 o   60.814   10.289   30.055   10.171   7.9258   13.318   61.027   15.756   36.213   15.431   85.414   13.612 -49.20092 20.57731 
1 1 1   -6   16   79 o   60.514   11.082   33.125   10.125   16.045   13.361   56.159   15.517   41.794   16.316   79.234   15.001 -37.44017 22.16372 
1 1 1   -6   16   80 o   36.183   10.818   9.6174   9.1322   10.230   12.425   8.8972   13.468   36.448   15.180   35.917   15.417 0.5307198 21.63545 
1 1 1   -6   16   81 o   42.682   11.405   16.745   9.6639   6.2801   13.032   29.530   14.404   33.509   14.761   51.854   17.389 -18.34482 22.80948 
1 1 1   -6   17    1 o  286.426   5.2334  558.579   20.274  564.526   27.902  551.929   29.509  288.082   7.1472  284.769   7.6467 3.312714 10.46680 
1 1 1   -6   17    2 o  290.460   6.5916  573.322   23.704  570.226   28.238  580.709   43.615  289.525   7.1973  291.395   11.045 -1.869568 13.18320 
1 1 1   -6   17    3 o   67.363   10.596   33.935   8.4672   36.240   9.7493   26.859   17.082   72.862   9.8739   61.863   18.751 10.99849 21.19183 
1 1 1   -6   17    4 o  279.469   6.5949  540.688   22.798  552.855   27.340  512.916   41.305  285.100   7.0764  273.838   11.131 11.26181 13.18978 
1 1 1   -6   17    5 o  288.210   5.2351  565.918   20.398  612.762   28.916  519.521   28.778  300.144   7.1093  276.276   7.6865 23.86761 10.47013 
1 1 1   -6   17    6 o   96.917   6.3289   65.170   8.1579   72.660   10.981   55.943   12.187  103.311   7.8435   90.523   9.9347 12.78845 12.65775 
1 1 1   -6   17    7 o   54.935   8.9277   19.860   6.8687   10.870   8.9892   32.474   10.648   40.984   13.737   68.885   11.406 -27.90176 17.85541 
1 1 1   -6   17    8 o  136.059   5.3565  125.302   9.8341  119.015   13.193  133.163   14.753  132.257   7.3610  139.862   7.7837 -7.605804 10.71309 
1 1 1   -6   17    9 o   83.551   6.7694   47.864   7.5934   49.511   10.178   45.796   11.404   85.225   8.8126   81.877   10.278 3.348076 13.53878 
1 1 1   -6   17   10 o   83.172   8.4324   50.397   8.7766   35.437   13.101   62.576   11.821   70.551   14.195   95.792   9.1066 -25.24062 16.86473 
1 1 1   -6   17   11 o   95.667   7.0265   61.715   9.0304   68.317   13.930   56.929   11.860   99.999   10.280   91.334   9.5821 8.665077 14.05310 
1 1 1   -6   17   12 o  157.272   6.8440  169.898   14.492  185.645   20.086  152.800   20.929  165.001   8.9831  149.543   10.328 15.45844 13.68796 
1 1 1   -6   17   13 f  110.598   6.8968   85.791   9.5632   89.980   11.676   77.253   16.668  114.982   7.4936  106.213   11.581 8.768600 13.79357 
1 1 1   -6   17   14 o  118.377   6.4872   91.848   9.7837   85.277   11.774  106.508   17.586  111.917   7.7632  124.837   10.396 -12.92051 12.97441 
1 1 1   -6   17   15 o  208.692   5.9780  294.639   15.828  290.720   19.200  302.953   27.965  206.747   6.8530  210.637   9.7970 -3.890244 11.95596 
1 1 1   -6   17   16 o  103.467   7.4306   79.206   9.4499   91.840   11.797   56.582   15.786  116.158   7.4944   90.776   12.833 25.38245 14.86111 
1 1 1   -6   17   17 o   98.947   8.8756   81.019   9.5301  105.091   11.948   38.925   15.800  124.282   7.0943   73.612   16.272 50.67036 17.75113 
1 1 1   -6   17   18 o  228.605   5.9751  352.964   17.399  346.871   21.164  365.668   30.560  225.812   6.9162  231.398   9.7455 -5.586777 11.95025 
1 1 1   -6   17   19 o  140.352   6.3004  132.527   11.311  128.951   13.785  139.894   19.786  137.639   7.3908  143.064   10.206 -5.425110 12.60079 
1 1 1   -6   17   20 o  267.992   7.2523  490.382   26.321  507.921   38.068  474.317   36.432  272.566   10.306  263.418   10.206 9.147919 14.50460 
1 1 1   -6   17   21 o  335.084   7.7541  768.773   35.203  761.075   50.140  776.256   49.436  333.388   11.098  336.780   10.832 -3.392151 15.50824 
1 1 1   -6   17   22 o  360.047   7.9849  885.339   38.884  814.697   53.460  964.695   56.661  344.791   11.442  375.302   11.141 -30.51041 15.96978 
1 1 1   -6   17   23 o  169.229   6.1214  194.436   13.227  192.675   16.160  198.010   23.024  168.257   7.0875  170.200   9.9827 -1.943558 12.24283 
1 1 1   -6   17   24 o  254.027   5.8071  439.870   17.536  439.855   20.392  439.914   34.358  254.387   5.9155  253.667   9.9949 0.7206573 11.61421 
1 1 1   -6   17   25 o  188.932   5.7192  244.634   12.864  246.110   14.994  240.517   25.038  190.290   5.8147  187.574   9.8502 2.716095 11.43836 
1 1 1   -6   17   26 o   76.897   7.6450   37.770   7.2673   34.269   8.4999   47.284   14.012   70.858   8.8520   82.936   12.467 -12.07843 15.29003 
1 1 1   -6   17   27 o  121.399   6.2724  100.823   9.0712  101.061   10.568  100.157   17.680  121.889   6.3982  120.909   10.790 0.9808350 12.54476 
1 1 1   -6   17   28 o  169.701   5.9881  207.236   11.903  219.497   13.966  174.694   22.754  179.696   5.7354  159.706   10.514 19.99013 11.97618 
1 1 1   -6   17   29 o   81.499   8.2863   45.316   9.1515   45.316   9.1515   0.0000   0.0000   81.499   8.2863  ?   ?       ?      ? 
1 1 1   -6   17   30 o  105.617   7.1125   75.979   10.180   75.979   10.180   0.0000   0.0000  105.617   7.1125  ?   ?       ?      ? 
1 1 1   -6   17   31 o  106.338   6.8268   77.297   8.6825   77.202   10.130   77.561   16.854  106.462   7.0215  106.213   11.710 0.2485733 13.65361 
1 1 1   -6   17   32 o  104.030   6.5287   67.669   8.3733   59.853   9.7439   89.739   16.373   93.681   7.6754  114.378   10.563 -20.69701 13.05736 
1 1 1   -6   17   33 o  170.771   5.9360  205.308   12.128  212.855   14.297  185.939   22.905  176.880   5.9646  164.662   10.265 12.21819 11.87195 
1 1 1   -6   17   34 o   86.191   7.3762   47.764   7.9535   43.162   9.3833   59.506   14.990   79.453   8.7149   92.929   11.903 -13.47558 14.75232 
1 1 1   -6   17   35 o   91.797   8.5277   66.648   8.5876   76.462   10.248   43.509   15.736  105.893   7.1416   77.702   15.488 28.19096 17.05541 
1 1 1   -6   17   36 o   72.002   9.1020   37.558   7.8545   39.096   9.4079   34.019   14.270   75.544   9.1898   68.460   15.714 7.084732 18.20409 
1 1 1   -6   17   37 o  333.912   6.2974  764.276   25.032  764.918   29.146  762.474   48.866  335.045   6.4195  332.779   10.836 2.266357 12.59471 
1 1 1   -6   17   38 o   67.216   9.3455   30.273   7.6878   26.791   9.1615   38.560   14.135   61.363   11.438   73.069   14.783 -11.70604 18.69106 
1 1 1   -6   17   39 o   35.719   9.0682   5.1351   6.8767   14.240   8.4171 -13.1407   11.925   44.800   13.061   26.638   12.583 18.16130 18.13638 
1 1 1   -6   17   40 f  165.090   6.2987  186.415   13.648  184.555   17.239  189.538   22.341  164.245   7.7453  165.934   9.9351 -1.689178 12.59746 
1 1 1   -6   17   41 o  147.736   8.1010  149.731   15.930  158.935   25.306  143.689   20.502  151.197   12.351  144.275   10.486 6.921570 16.20207 
1 1 1   -6   17   42 o  133.368   8.3612  122.353   14.701  128.821   23.966  118.452   18.614  135.815   13.022  130.921   10.492 4.894440 16.72244 
1 1 1   -6   17   43 o  165.500   6.3043  187.862   13.853  185.644   17.844  191.228   21.980  164.516   8.0038  166.485   9.7425 -1.969055 12.60857 
1 1 1   -6   17   44 o  171.149   5.6635  193.742   12.085  183.171   14.321  219.897   22.525  163.723   6.4546  178.575   9.3081 -14.85207 11.32706 
1 1 1   -6   17   45 o   85.388   7.2462   46.804   8.0131   38.556   9.7326   64.160   14.118   74.688   9.6161   96.089   10.842 -21.40149 14.49233 
1 1 1   -6   17   46 o   49.738   10.126   17.684   6.9548   17.049   8.6012   18.884   11.820   48.384   12.887   51.091   15.622 -2.706738 20.25196 
1 1 1   -6   17   47 o   55.237   9.8633   23.356   7.3125   26.397   9.1078   17.840   12.267   60.510   11.528   49.965   16.008 10.54448 19.72668 
1 1 1   -6   17   48 o  124.162   6.8418  105.747   11.512  105.747   11.512   0.0000   0.0000  124.162   6.8418  ?   ?       ?      ? 
1 1 1   -6   17   49 o   91.588   7.0521   55.686   8.2440   50.754   9.9181   66.711   14.829   85.670   8.5432   97.506   11.222 -11.83629 14.10417 
1 1 1   -6   17   50 o   54.337   9.8583   22.461   7.1558   24.291   8.8797   19.070   12.085   57.734   11.749   50.940   15.834 6.794712 19.71664 
1 1 1   -6   17   51 o   77.615   8.3695   45.373   7.8582   49.877   9.7346   36.949   13.314   84.818   8.4693   70.411   14.438 14.40728 16.73891 
1 1 1   -6   17   52 o   43.079   9.2578   8.9823   6.7910  -1.3349   8.6268   25.794   11.012   27.515   12.068   58.643   14.043 -31.12781 18.51565 
1 1 1   -6   17   53 o  148.956   7.3543  157.281   14.710  148.104   21.914  164.806   19.845  144.526   11.189  153.386   9.5472 -8.859863 14.70852 
1 1 1   -6   17   54 o   45.130   10.106   13.039   7.4682   4.7093   9.9189   23.941   11.348   34.214   13.826   56.047   14.743 -21.83244 20.21220 
1 1 1   -6   17   55 o   55.892   8.8463   22.870   6.4661   26.753   10.101   20.174   8.4166   59.783   12.851   52.000   12.161 7.783062 17.69267 
1 1 1   -6   17   56 o   40.425   9.1345   11.772   6.0543   5.1471   9.2745   16.691   7.9922   33.692   13.456   47.159   12.357 -13.46677 18.26903 
1 1 1   -6   17   57 f   64.177   9.8064   30.805   7.5011   31.411   14.808   30.596   8.6998   62.665   17.004   65.690   9.7731 -3.024567 19.61279 
1 1 1   -6   17   58 o   28.913   9.0851  -0.7040   6.3316  -3.6909   12.848   0.2542   7.2766   31.567   14.227   26.260   11.303 5.306528 18.17025 
1 1 1   -6   17   59 o   74.101   9.1348   41.704   7.9899   39.743   14.850   42.503   9.4787   70.726   15.883   77.476   9.0282 -6.749901 18.26965 
1 1 1   -6   17   60 o   50.358   10.171   19.648   8.8150   1.1769   13.516   33.321   11.629   34.935   15.219   65.782   13.498 -30.84671 20.34208 
1 1 1   -6   17   61 o   73.027   10.609   42.620   10.127   36.971   15.769   46.586   13.212   66.747   17.294   79.307   12.293 -12.56001 21.21787 
1 1 1   -6   17   62 o   33.208   9.7748   4.3889   6.8039   1.1147   13.151   5.5855   7.9507   34.266   14.968   32.149   12.576 2.117306 19.54970 
1 1 1   -6   17   63 o   70.214   10.967   40.124   10.444   30.011   15.014   49.607   14.539   59.534   17.469   80.895   13.263 -21.36050 21.93331 
1 1 1   -6   17   64 o   88.292   9.5421   59.574   11.415   61.062   16.276   58.133   16.014   89.424   13.431   87.160   13.558 2.263870 19.08410 
1 1 1   -6   17   65 o   80.163   10.424   51.348   10.906   50.893   15.299   51.819   15.550   79.843   14.681   80.483   14.803 -0.6393967 20.84837 
1 1 1   -6   17   66 o   35.007   10.483   4.0322   8.6624   7.3554   12.444   0.9082   12.065   37.462   15.356   32.553   14.275 4.909824 20.96586 
1 1 1   -6   17   67 o   46.166   11.600   16.976   9.3373   21.778   12.988   11.840   13.433   50.803   16.492   41.529   16.317 9.273266 23.19970 
1 1 1   -6   17   68 f   48.123   17.011   19.400   13.846   0.0000   0.0000   19.400   13.846  ?   ?    48.123   17.011      ?      ? 
1 1 1   -6   17   69 o   40.948   16.110   11.824   13.110   0.0000   0.0000   11.824   13.110  ?   ?    40.948   16.110      ?      ? 
1 1 1   -6   17   70 o   43.571   10.636   12.487   8.8387  -0.9202   12.186   27.367   12.839   31.060   13.939   56.083   16.068 -25.02327 21.27189 
1 1 1   -6   17   71 o   51.815   10.763   21.761   9.3902   5.9567   13.024   38.870   13.551   35.953   15.289   67.677   15.153 -31.72392 21.52560 
1 1 1   -6   17   72 o   33.278   10.292   2.9454   8.8317   4.1915   12.152   1.5501   12.858   33.800   14.577   32.756   14.533 1.043861 20.58434 
1 1 1   -6   17   73 o   43.514   10.352   10.439   9.1417  -8.2192   12.409   32.585   13.519   27.158   12.831   59.869   16.248 -32.71103 20.70318 
1 1 1   -6   17   74 o   31.473   9.8148   0.4522   8.6343   8.1943   11.718  -8.7432   12.771   35.796   14.811   27.150   12.883 8.645973 19.62969 
1 1 1   -6   17   75 o   43.752   11.092   15.243   9.2212   3.7201   12.478   29.110   13.688   32.843   14.456   54.660   16.828 -21.81702 22.18459 
1 1 1   -6   17   76 o   38.052   10.979   11.593   8.9305   10.136   12.221   13.262   13.082   36.714   15.153   39.390   15.892 -2.675945 21.95849 
1 1 1   -6   17   77 o   32.561   9.8568   2.8983   8.6040   14.008   11.782  -9.7959   12.594   39.305   15.328   25.816   12.397 13.48913 19.71366 
1 1 1   -6   17   78 o   70.019   11.547   49.341   10.812   54.474   14.718   43.323   15.936   76.760   14.684   63.278   17.824 13.48190 23.09368 
1 1 1   -6   18    1 o  167.739   6.2132  189.868   13.108  186.346   15.761  197.771   23.610  165.459   7.0293  170.019   10.247 -4.560226 12.42648 
1 1 1   -6   18    2 o  232.809   6.1334  370.308   18.027  371.206   21.856  368.398   31.884  233.546   6.9058  232.072   10.138 1.474121 12.26685 
1 1 1   -6   18    3 o  155.757   6.4147  166.713   12.495  168.489   15.061  162.793   22.376  157.328   7.0644  154.186   10.709 3.142029 12.82935 
1 1 1   -6   18    4 f  233.739   6.1140  369.758   18.024  364.660   21.747  380.944   32.214  231.474   6.9329  236.005   10.073 -4.530807 12.22797 
1 1 1   -6   18    5 o  166.027   6.2908  190.422   13.073  194.276   15.811  182.092   23.245  168.956   6.9054  163.098   10.517 5.857758 12.58168 
1 1 1   -6   18    6 o   87.704   6.9188   52.208   8.0893   50.582   10.462   54.626   12.756   86.080   8.9688   89.328   10.537 -3.248230 13.83751 
1 1 1   -6   18    7 o   98.526   6.3655   65.793   8.4384   62.516   11.176   70.138   12.870   95.724   8.6155  101.328   9.3728 -5.603973 12.73097 
1 1 1   -6   18    8 o  108.293   6.1480   79.795   8.9676   78.032   11.980   82.042   13.524  106.973   8.2641  109.613   9.1048 -2.639580 12.29608 
1 1 1   -6   18    9 f  228.995   5.1132  357.920   15.820  371.043   21.805  343.336   22.987  233.489   6.8913  224.501   7.5557 8.987640 10.22639 
1 1 1   -6   18   10 o  191.378   5.1800  250.261   13.363  258.858   18.181  240.162   19.706  195.021   6.8796  187.734   7.7460 7.286697 10.35994 
1 1 1   -6   18   11 o  220.681   5.1305  332.588   15.293  347.127   21.097  316.493   22.198  225.831   6.8938  215.531   7.6003 10.30011 10.26105 
1 1 1   -6   18   12 o  110.291   7.1727   82.070   10.089   79.868   12.262   86.685   17.750  108.206   8.3624  112.376   11.656 -4.169296 14.34539 
1 1 1   -6   18   13 o   96.107   7.4706   64.989   8.2976   66.687   9.5840   59.909   16.581   98.962   7.1465   93.253   13.121 5.708740 14.94117 
1 1 1   -6   18   14 o  180.324   5.9420  227.109   12.677  232.999   14.806  210.936   24.535  185.122   5.9020  175.525   10.315 9.597000 11.88401 
1 1 1   -6   18   15 o  237.113   6.2699  384.562   19.083  385.936   23.516  381.913   32.657  238.032   7.2902  236.194   10.203 1.838699 12.53976 
1 1 1   -6   18   16 o  103.367   7.5672   71.906   10.177   68.694   12.602   77.928   17.255  100.255   9.2759  106.478   11.959 -6.222939 15.13432 
1 1 1   -6   18   17 o  214.478   5.8982  320.748   14.759  327.737   17.098  300.318   29.233  219.560   5.7467  209.396   10.302 10.16431 11.79643 
1 1 1   -6   18   18 o  133.264   6.2760  121.268   9.8151  121.219   11.338  121.414   19.607  133.482   6.2680  133.046   10.875 0.4357605 12.55208 
1 1 1   -6   18   19 o   66.243   9.3487   30.898   7.3398   30.953   8.5719   30.747   14.209   67.274   9.4025   65.211   16.161 2.063461 18.69740 
1 1 1   -6   18   20 o  185.638   5.7892  233.396   12.788  231.458   14.850  238.956   25.158  184.474   5.9402  186.801   9.9384 -2.327667 11.57837 
1 1 1   -6   18   21 o  283.072   5.9549  536.381   19.769  525.931   22.723  568.916   40.096  278.047   6.0307  288.096   10.270 -10.04877 11.90987 
1 1 1   -6   18   22 o   84.367   8.4899   52.092   8.1257   54.826   9.5304   44.812   15.550   89.643   7.8454   79.092   15.059 10.55058 16.97976 
1 1 1   -6   18   23 o   33.179   9.5054   3.3554   6.6766   7.1612   7.8205  -6.8738   12.821   35.223   12.746   31.134   14.105 4.089008 19.01083 
1 1 1   -6   18   24 o   81.306   8.1366   45.143   8.9649   45.143   8.9649   0.0000   0.0000   81.306   8.1366  ?   ?       ?      ? 
1 1 1   -6   18   25 o   64.223   9.8107   28.275   8.5383   28.275   8.5383   0.0000   0.0000   64.223   9.8107  ?   ?       ?      ? 
1 1 1   -6   18   26 o  166.876   5.9301  191.740   11.722  193.245   13.635  187.478   22.947  168.501   5.9715  165.250   10.247 3.251083 11.86016 
1 1 1   -6   18   27 o   49.955   9.7964   19.290   6.9802   23.490   8.2919   9.0741   12.931   57.496   11.044   42.413   16.184 15.08299 19.59276 
1 1 1   -6   18   28 o  110.170   7.0062   83.091   10.003   82.511   12.432   84.158   16.848  109.835   8.3523  110.505   11.251 -0.6708374 14.01237 
1 1 1   -6   18   29 o   31.297   9.4486  -3.2244   7.2003  -9.0793   9.1390   6.3581   11.692   23.916   11.208   38.678   15.215 -14.76247 18.89720 
1 1 1   -6   18   30 o  136.427   6.5390  129.279   11.539  133.348   14.454  122.129   19.160  139.692   7.6352  133.162   10.618 6.530228 13.07806 
1 1 1   -6   18   31 o   60.191   10.357   27.417   8.4236   32.713   10.864   19.436   13.338   67.727   12.290   52.655   16.674 15.07124 20.71371 
1 1 1   -6   18   32 o   44.092   10.867   12.521   7.9642   14.542   10.130   9.2502   12.888   45.813   14.533   42.371   16.159 3.442215 21.73307 
1 1 1   -6   18   33 o  150.978   6.5501  160.297   12.756  169.976   16.069  143.806   20.975  157.646   7.5218  144.309   10.725 13.33661 13.10014 
1 1 1   -6   18   34 o  116.497   7.4994   98.679   11.094  112.316   14.127   76.738   17.919  128.012   8.1435  104.982   12.596 23.03086 14.99888 
1 1 1   -6   18   35 o  152.078   5.8566  149.360   10.874  138.378   12.650  180.443   21.281  142.350   6.5575  161.805   9.7057 -19.45413 11.71325 
1 1 1   -6   18   36 o  180.699   5.7079  207.662   12.448  190.184   14.351  260.763   25.013  166.894   6.3453  194.505   9.4899 -27.61090 11.41579 
1 1 1   -6   18   37 o   68.186   10.269   34.788   9.2980   42.126   12.365   25.242   14.104   77.777   11.732   58.595   16.857 19.18216 20.53800 
1 1 1   -6   18   38 o  148.859   6.5556  146.145   12.846  126.252   16.009  182.119   21.527  135.414   8.7238  162.304   9.7877 -26.88994 13.11121 
1 1 1   -6   18   39 o   83.984   8.5443   53.156   8.3359   57.847   10.023   42.630   15.014   91.733   8.0626   76.235   15.067 15.49851 17.08856 
1 1 1   -6   18   40 o  144.736   5.9371  136.317   10.517  126.643   12.262  163.235   20.454  136.005   6.6532  153.468   9.8351 -17.46358 11.87412 
1 1 1   -6   18   41 o   47.538   10.290   16.615   7.0998   18.361   8.5481   12.733   12.749   50.118   12.600   44.957   16.273 5.161469 20.58031 
1 1 1   -6   18   42 o   94.053   7.3608   63.627   8.4021   66.451   10.026   56.966   15.398   98.297   7.5269   89.809   12.652 8.488541 14.72163 
1 1 1   -6   18   43 o   89.761   8.3994   63.935   8.4163   73.217   10.130   43.243   15.124  103.194   7.2436   76.328   15.157 26.86647 16.79873 
1 1 1   -6   18   44 o   61.050   10.997   26.876   8.7632   26.876   8.7632   0.0000   0.0000   61.050   10.997  ?   ?       ?      ? 
1 1 1   -6   18   45 o   81.259   8.4110   45.742   9.2620   45.742   9.2620   0.0000   0.0000   81.259   8.4110  ?   ?       ?      ? 
1 1 1   -6   18   46 o   49.316   10.225   16.733   6.9027   13.989   8.3388   22.705   12.303   43.792   13.063   54.841   15.735 -11.04902 20.45028 
1 1 1   -6   18   47 o  153.704   5.7888  156.356   11.037  146.018   13.005  182.968   20.866  145.676   6.5879  161.732   9.5205 -16.05582 11.57761 
1 1 1   -6   18   48 o   41.088   11.041   9.4542   8.5435   13.493   12.655   6.0723   11.581   44.888   16.218   37.288   14.985 7.599468 22.08120 
1 1 1   -6   18   49 o   41.513   9.9437   10.003   7.3126   1.4155   9.9256   20.198   10.815   31.429   13.355   51.597   14.736 -20.16736 19.88741 
1 1 1   -6   18   50 o   66.685   8.8588   32.623   7.3478   32.558   8.9689   32.755   12.814   67.952   9.7399   65.418   14.800 2.533623 17.71766 
1 1 1   -6   18   51 o   51.522   9.5423   20.905   6.6632   23.275   8.2072   16.322   11.413   56.177   11.174   46.867   15.471 9.309864 19.08466 
1 1 1   -6   18   52 o   28.736   8.5354   0.2327   6.1391   6.0908   7.6905 -10.0572   10.193   32.842   12.493   24.629   11.634 8.212708 17.07073 
1 1 1   -6   18   53 o   46.962   10.554   16.650   7.8107   21.734   10.810   11.097   11.298   52.882   14.603   41.042   15.241 11.83947 21.10824 
1 1 1   -6   18   54 o   43.260   10.672   13.607   7.7019   14.606   10.546   12.465   11.275   44.265   14.879   42.255   15.302 2.009979 21.34318 
1 1 1   -6   18   55 o   30.296   8.6794  -3.6268   6.7875 -18.2204   9.4928   11.639   9.7090   20.148   9.9124   40.444   14.250 -20.29606 17.35872 
1 1 1   -6   18   56 o   38.968   10.808   8.9311   8.3910   4.6249   13.530   11.622   10.696   37.118   15.673   40.817   14.885 -3.699024 21.61550 
1 1 1   -6   18   57 o   51.536   11.341   21.527   8.6867   19.823   14.166   22.554   10.997   49.877   17.235   53.194   14.744 -3.316345 22.68115 
1 1 1   -6   18   58 o   52.793   10.363   22.083   7.8311   16.519   10.818   28.209   11.351   45.944   15.058   59.641   14.241 -13.69645 20.72542 
1 1 1   -6   18   59 o   62.403   17.649   33.205   15.592   33.205   15.592   0.0000   0.0000   62.403   17.649  ?   ?       ?      ? 
1 1 1   -6   18   60 o  106.328   8.9782   85.457   12.831   73.161   17.931   98.359   18.369   97.729   13.540  114.927   11.794 -17.19807 17.95635 
1 1 1   -6   18   61 o   37.127   10.867   6.4326   9.0074   3.2934   13.185   9.1801   12.335   35.307   15.206   38.947   15.529 -3.639942 21.73436 
1 1 1   -6   18   62 o   52.123   11.850   22.948   9.4924   23.571   13.744   22.380   13.125   52.670   16.952   51.576   16.562 1.094261 23.69964 
1 1 1   -6   18   63 o   49.487   11.445   19.651   9.3571   29.174   13.497   10.838   12.984   58.518   16.375   40.456   15.995 18.06231 22.89080 
1 1 1   -6   18   64 o   51.711   16.653   22.934   13.262   0.0000   0.0000   22.934   13.262  ?   ?    51.711   16.653      ?      ? 
1 1 1   -6   18   65 o   33.632   14.574   2.8343   12.262   0.0000   0.0000   2.8343   12.262  ?   ?    33.632   14.574      ?      ? 
1 1 1   -6   18   66 o   30.284   9.6178  -1.7885   8.3608  -6.5899   12.254   2.3935   11.436   28.205   13.139   32.363   14.049 -4.158211 19.23567 
1 1 1   -6   18   67 o   43.231   11.456   15.094   9.0428   14.040   12.294   16.337   13.347   42.081   15.845   44.380   16.549 -2.299232 22.91193 
1 1 1   -6   18   68 f   30.349   9.5530  -1.7497   8.3067   6.0237   11.534 -10.1252   11.973   34.660   14.544   26.038   12.389 8.621908 19.10600 
1 1 1   -6   18   69 o   31.377   9.6189  -2.8103   8.4002 -16.0049   11.567   11.912   12.219   23.225   11.324   39.528   15.552 -16.30265 19.23776 
1 1 1   -6   18   70 o   26.495   8.7715  -9.9232   8.2179 -20.9083   11.426   1.8498   11.828   21.436   10.607   31.554   13.973 -10.11797 17.54293 
1 1 1   -6   18   71 o   38.738   10.794   11.343   8.7241   17.480   12.033   4.5431   12.667   43.842   15.818   33.633   14.690 10.20868 21.58764 
1 1 1   -6   18   72 o   33.869   10.309   4.7023   8.7237  -1.3080   11.791   11.970   12.966   29.157   13.332   38.580   15.728 -9.422766 20.61850 
1 1 1   -6   18   73 o   44.402   11.734   19.630   9.4832   19.321   12.924   19.990   13.958   44.258   16.328   44.545   16.858 -0.2870827 23.46884 
1 1 1   -6   18   74 o   35.599   10.663   9.0208   8.9497   5.2332   12.227   13.392   13.135   32.598   14.330   38.601   15.794 -6.002556 21.32630 
1 1 1   -6   19    1 o  241.208   5.1950  396.883   16.924  396.426   23.004  397.422   24.985  241.124   7.0402  241.292   7.6411 -0.1681824 10.38993 
1 1 1   -6   19    2 o  114.313   6.0974   88.696   9.3594   84.638   12.314   94.248   14.402  111.296   8.1647  117.330   9.0581 -6.034813 12.19471 
1 1 1   -6   19    3 o   77.828   7.6148   40.518   7.9180   34.781   10.220   49.129   12.522   71.142   10.601   84.514   10.934 -13.37201 15.22952 
1 1 1   -6   19    4 o  110.561   6.2596   83.221   9.3173   80.119   12.391   87.256   14.133  108.252   8.4469  112.871   9.2401 -4.619179 12.51919 
1 1 1   -6   19    5 o  245.086   5.1860  410.853   17.173  428.538   23.737  391.429   24.876  250.712   6.9866  239.461   7.6658 11.25119 10.37194 
1 1 1   -6   19    6 o  109.757   6.3138   83.597   9.2214   90.007   12.250   75.216   14.008  114.802   7.8742  104.712   9.8718 10.09062 12.62756 
1 1 1   -6   19    7 o   87.140   7.4328   52.563   8.6979   55.906   11.791   48.574   12.882   90.299   9.6359   83.982   11.320 6.317139 14.86551 
1 1 1   -6   19    8 o  101.616   8.0346   68.260   10.692   82.320   18.146   60.784   13.232  109.169   12.266   94.063   10.381 15.10618 16.06927 
1 1 1   -6   19    9 o  104.464   7.9217   69.684   10.789   98.620   18.544   54.875   13.266  119.630   11.439   89.298   10.962 30.33155 15.84340 
1 1 1   -6   19   10 f   80.666   7.6330   44.447   8.3089   41.390   11.143   48.274   12.469   77.587   10.599   83.745   10.987 -6.158264 15.26592 
1 1 1   -6   19   11 o  167.397   5.3569  190.298   12.091  181.793   16.171  201.082   18.209  163.221   7.3109  171.572   7.8318 -8.351578 10.71381 
1 1 1   -6   19   12 o  238.210   5.9553  387.108   16.385  386.160   18.776  390.138   33.554  238.189   5.8169  238.232   10.394 -0.4330444E-01 11.91060 
1 1 1   -6   19   13 o   72.225   9.0035   34.852   7.4833   32.975   8.5853   40.792   15.268   69.368   9.1330   75.083   15.519 -5.714935 18.00693 
1 1 1   -6   19   14 o  152.915   5.9815  152.511   10.693  145.676   12.206  175.076   22.179  146.245   6.1590  159.586   10.256 -13.34146 11.96298 
1 1 1   -6   19   15 o  181.974   5.9105  226.585   12.530  226.589   14.425  226.572   25.288  182.433   5.8347  181.515   10.281 0.9174042 11.82091 
1 1 1   -6   19   16 o   90.282   8.7488   64.424   8.3227   71.197   9.6424   44.635   16.482  102.152   6.9656   78.412   16.051 23.73955 17.49751 
1 1 1   -6   19   17 o  136.819   6.2535  123.415   10.006  118.895   11.443  138.096   20.622  132.071   6.3936  141.568   10.749 -9.496780 12.50706 
1 1 1   -6   19   18 o  112.142   6.7170   85.786   10.208   85.786   10.208   0.0000   0.0000  112.142   6.7170  ?   ?       ?      ? 
1 1 1   -6   19   19 f  106.442   6.8924   77.327   9.9418   77.327   9.9418   0.0000   0.0000  106.442   6.8924  ?   ?       ?      ? 
1 1 1   -6   19   20 o  167.796   5.9328  191.829   13.490  191.829   13.490   0.0000   0.0000  167.796   5.9328  ?   ?       ?      ? 
1 1 1   -6   19   21 o  109.831   6.8946   84.547   8.8110   86.124   10.191   79.879   17.533  112.337   6.6946  107.326   12.055 5.010895 13.78917 
1 1 1   -6   19   22 o   61.890   9.1011   35.794   7.4672   47.540   8.7885   5.3004   14.160   83.345   7.7813   40.435   16.455 42.90987 18.20213 
1 1 1   -6   19   23 o   64.008   9.5978   32.219   7.3961   36.124   8.7029   22.067   14.033   72.532   8.8543   55.485   17.032 17.04668 19.19563 
1 1 1   -6   19   24 o  153.004   5.9625  158.684   10.869  156.596   12.618  164.688   21.395  151.521   6.1451  154.487   10.220 -2.966141 11.92494 
1 1 1   -6   19   25 o  148.325   6.0991  152.151   10.806  153.386   12.632  148.781   20.866  149.932   6.2172  146.719   10.495 3.213257 12.19813 
1 1 1   -6   19   26 o   60.771   9.7550   27.515   7.4128   29.331   8.7975   23.070   13.765   65.188   9.9589   56.353   16.777 8.834221 19.50990 
1 1 1   -6   19   27 o   53.776   10.271   20.864   7.2385   20.867   8.6387   20.858   13.262   53.709   12.153   53.844   16.562 -0.1342430 20.54249 
1 1 1   -6   19   28 o  128.764   6.2751  111.979   9.8332  109.308   11.533  119.089   18.817  126.435   6.7313  131.093   10.592 -4.658524 12.55013 
1 1 1   -6   19   29 o   81.250   9.5029   56.660   8.4508   68.644   10.116   28.969   15.376  100.069   7.4594   62.431   17.481 37.63809 19.00580 
1 1 1   -6   19   30 o  195.609   5.6909  238.700   13.157  216.407   14.973  314.274   27.568  177.965   6.2084  213.252   9.5395 -35.28714 11.38184 
1 1 1   -6   19   31 o   71.054   9.2072   35.783   7.8050   35.311   9.2066   36.988   14.716   71.457   9.5076   70.651   15.770 0.8058167 18.41432 
1 1 1   -6   19   32 o  157.872   6.4732  170.945   13.453  166.885   17.022  177.703   21.959  155.738   8.0654  160.005   10.127 -4.266708 12.94648 
1 1 1   -6   19   33 o  156.234   6.4356  166.410   13.221  159.322   16.630  178.583   21.793  152.116   8.0676  160.353   10.029 -8.237640 12.87124 
1 1 1   -6   19   34 o   38.129   10.085   8.3970   6.9363   10.613   8.3749   3.5558   12.377   39.593   13.260   36.665   15.200 2.927162 20.17098 
1 1 1   -6   19   35 o   61.890   9.6386   28.431   7.3689   29.485   8.7367   25.832   13.717   65.102   9.9030   58.678   16.539 6.424278 19.27711 
1 1 1   -6   19   36 o   96.633   7.1965   66.837   8.3816   69.094   9.9295   61.243   15.633  100.218   7.3114   93.048   12.398 7.170883 14.39303 
1 1 1   -6   19   37 o   50.883   9.8465   20.619   7.0595   24.546   8.4219   11.342   12.946   58.250   11.074   43.516   16.284 14.73441 19.69296 
1 1 1   -6   19   38 o  115.592   6.2130   84.862   8.8315   75.270   10.265  112.180   17.324  104.535   7.2465  126.649   10.094 -22.11385 12.42603 
1 1 1   -6   19   39 o   56.009   9.8095   24.177   7.1062   26.238   8.3558   18.792   13.508   61.205   10.074   50.813   16.835 10.39230 19.61894 
1 1 1   -6   19   40 o   49.040   12.090   17.767   7.9835   17.767   7.9835   0.0000   0.0000   49.040   12.090  ?   ?       ?      ? 
1 1 1   -6   19   41 o  109.766   7.1174   87.849   9.0664   91.283   10.551   78.157   17.724  115.104   6.7644  104.428   12.525 10.67635 14.23477 
1 1 1   -6   19   42 o   37.200   9.8642   8.3001   6.5029   9.5070   7.8120   5.5767   11.735   37.401   12.805   36.998   15.008 0.4026909 19.72844 
1 1 1   -6   19   43 o   52.532   10.787   20.201   8.8533   8.9884   12.398   31.868   12.646   40.417   15.734   64.648   14.760 -24.23068 21.57353 
1 1 1   -6   19   44 o   64.310   9.2391   29.253   7.2419   26.588   8.6070   35.714   13.401   60.306   10.935   68.313   14.896 -8.006413 18.47812 
1 1 1   -6   19   45 o   22.529   7.5100  -8.1221   5.8966  -4.1489   7.1861 -16.3105   10.316   22.769   10.410   22.289   10.828 0.4808331 15.02009 
1 1 1   -6   19   46 o   52.875   9.6139   22.107   6.7713   24.191   8.2550   17.821   11.838   57.276   11.036   48.475   15.745 8.800819 19.22772 
1 1 1   -6   19   47 o   81.193   7.5085   46.214   7.5979   44.685   9.0604   49.837   13.947   79.805   8.3778   82.580   12.463 -2.775406 15.01697 
1 1 1   -6   19   48 o   37.590   9.7968   8.9329   6.3434   8.2140   7.8539   10.282   10.758   35.385   12.778   39.794   14.854 -4.409649 19.59368 
1 1 1   -6   19   49 o   68.553   8.1577   31.931   7.1033   26.225   8.6004   44.175   12.599   59.415   11.090   77.692   11.967 -18.27696 16.31534 
1 1 1   -6   19   50 o   53.445   11.532   21.621   9.1398   31.048   14.523   15.439   11.761   61.575   16.895   45.315   15.701 16.26062 23.06433 
1 1 1   -6   19   51 o   93.258   9.1185   65.551   11.336   59.952   17.083   69.956   15.154   88.744   14.205   97.772   11.437 -9.027618 18.23693 
1 1 1   -6   19   52 o   88.418   9.7747   60.907   11.142   51.546   16.574   68.627   15.051   80.178   15.816   96.657   11.491 -16.47931 19.54935 
1 1 1   -6   19   53 o   72.058   9.6833   43.115   8.9735   58.749   12.090   23.941   13.389   90.243   9.8867   53.872   16.653 36.37025 19.36660 
1 1 1   -6   19   54 o   64.207   9.9477   31.852   8.3858   25.777   11.031   40.169   12.907   56.781   14.335   71.634   13.797 -14.85327 19.89541 
1 1 1   -6   19   55 o   59.000   10.137   28.912   8.1715   34.932   10.813   20.897   12.477   67.534   12.267   50.466   16.142 17.06757 20.27428 
1 1 1   -6   19   56 o   55.603   14.372   24.960   10.908   24.960   10.908   0.0000   0.0000   55.603   14.372  ?   ?       ?      ? 
1 1 1   -6   19   57 o   75.459   11.271   42.301   11.525   42.301   11.525   0.0000   0.0000   75.459   11.271  ?   ?       ?      ? 
1 1 1   -6   19   58 o   52.464   14.075   22.305   10.214   22.305   10.214   0.0000   0.0000   52.464   14.075  ?   ?       ?      ? 
1 1 1   -6   19   59 o   31.293   13.125   3.4811   9.3847   3.4811   9.3847   0.0000   0.0000   31.293   13.125  ?   ?       ?      ? 
1 1 1   -6   19   60 o   30.733   14.149  -4.9158   13.593  -4.9158   13.593   0.0000   0.0000   30.733   14.149  ?   ?       ?      ? 
1 1 1   -6   19   61 o   38.969   16.159   8.7356   13.993   8.7356   13.993   0.0000   0.0000   38.969   16.159  ?   ?       ?      ? 
1 1 1   -6   19   62 o   44.566   14.343   16.386   9.8393   16.386   9.8393   0.0000   0.0000   44.566   14.343  ?   ?       ?      ? 
1 1 1   -6   19   63 o   33.915   13.600   6.8562   9.5157   6.8562   9.5157   0.0000   0.0000   33.915   13.600  ?   ?       ?      ? 
1 1 1   -6   19   64 o   77.693   10.521   45.616   11.077   45.616   11.077   0.0000   0.0000   77.693   10.521  ?   ?       ?      ? 
1 1 1   -6   19   65 o   35.145   13.590   8.7293   9.2027   8.7293   9.2027   0.0000   0.0000   35.145   13.590  ?   ?       ?      ? 
1 1 1   -6   19   66 o   75.143   15.114   49.246   14.857   49.246   14.857   0.0000   0.0000   75.143   15.114  ?   ?       ?      ? 
1 1 1   -6   19   67 o   30.503   9.7367   0.1354   8.5434  -0.2049   11.848   0.5040   12.331   30.077   13.599   30.929   13.939 -0.8521862 19.47343 
1 1 1   -6   19   68 o   42.095   11.260   15.431   9.1180   8.7215   12.578   22.863   13.237   36.012   15.154   48.178   16.660 -12.16638 22.52066 
1 1 1   -6   19   69 o   45.931   9.9885   14.812   9.0039  -5.9734   12.289   38.903   13.230   27.166   12.814   64.697   15.326 -37.53089 19.97701 
1 1 1   -6   19   70 o   26.590   8.8532  -5.8613   8.3496  -0.9664   11.525 -11.2680   12.113   28.515   13.091   24.666   11.923 3.849157 17.70636 
1 1 1   -6   19   71 o   38.797   11.079   14.265   9.0332   11.921   12.664   16.692   12.888   36.915   15.345   40.679   15.983 -3.764202 22.15714 
1 1 1   -6   20    1 o   43.250   11.512   10.337   8.9622   10.238   14.730   10.396   11.293   44.661   17.215   41.840   15.289 2.820919 23.02447 
1 1 1   -6   20    2 o   93.495   9.2332   64.982   10.627   51.351   17.230   73.351   13.501   83.872   15.737  103.118   9.6614 -19.24594 18.46642 
1 1 1   -6   20    3 f   52.934   12.554   15.621   11.279   4.2658   14.634   32.240   17.703   40.055   16.560   65.813   18.872 -25.75822 25.10748 
1 1 1   -6   20    4 o  105.490   6.3785   75.604   9.0301   69.920   11.820   83.573   13.995  100.855   8.6482  110.125   9.3781 -9.269554 12.75690 
1 1 1   -6   20    5 o   45.067   10.381   14.089   7.3347   16.351   9.5616   10.854   11.433   47.716   13.924   42.417   15.401 5.298428 20.76239 
1 1 1   -6   20    6 f  125.631   5.9964  107.899   10.132  104.234   13.433  112.737   15.432  123.256   8.0424  128.007   8.8964 -4.750885 11.99279 
1 1 1   -6   20    7 f  119.206   6.1578   97.725   9.8819   97.808   13.246   97.621   14.840  119.364   8.1887  119.049   9.1988 0.3159637 12.31558 
1 1 1   -6   20    8 o  113.670   6.2452   88.937   9.5235   89.198   12.622   88.592   14.511  113.988   8.1715  113.352   9.4465 0.6356888 12.49041 
1 1 1   -6   20    9 o   89.862   7.0626   55.064   8.5413   49.353   11.309   62.647   13.032   84.530   9.8725   95.194   10.102 -10.66392 14.12523 
1 1 1   -6   20   10 o   90.373   7.0194   56.330   8.5354   55.571   11.380   57.306   12.905   89.776   9.3540   90.969   10.469 -1.192703 14.03878 
1 1 1   -6   20   11 o  121.944   8.4742  109.962   11.717  116.152   13.560   91.717   23.280  130.150   7.6881  113.738   15.104 16.41200 16.94832 
1 1 1   -6   20   12 o   97.349   7.1805   64.893   9.4726   64.893   9.4726   0.0000   0.0000   97.349   7.1805  ?   ?       ?      ? 
1 1 1   -6   20   13 o   57.465   10.682   23.593   8.0118   23.593   8.0118   0.0000   0.0000   57.465   10.682  ?   ?       ?      ? 
1 1 1   -6   20   14 o   68.745   9.6281   33.786   7.4625   33.717   8.4982   34.018   15.598   69.949   8.9653   67.540   17.042 2.408546 19.25625 
1 1 1   -6   20   15 o  100.889   7.2318   69.432   8.4034   68.459   9.5975   72.627   17.396   99.977   7.0839  101.800   12.610 -1.822632 14.46367 
1 1 1   -6   20   16 o   48.212   10.479   13.339   6.7238   9.6741   7.6930   25.198   13.838   38.030   12.708   58.394   16.666 -20.36325 20.95819 
1 1 1   -6   20   17 o   55.121   10.138   22.948   7.0396   24.241   8.1130   19.009   14.162   58.223   10.676   52.020   17.237 6.202732 20.27549 
1 1 1   -6   20   18 o   25.523   8.4765 -10.2371   6.0802 -12.8503   6.9625  -1.8423   12.479   17.858   8.7239   33.187   14.536 -15.32927 16.95291 
1 1 1   -6   20   19 o   67.597   9.2566   31.675   7.2761   30.526   8.3880   35.166   14.625   66.449   9.3151   68.745   15.999 -2.295975 18.51324 
1 1 1   -6   20   20 o  163.689   6.0970  189.383   11.700  194.335   13.614  175.384   22.888  168.637   5.9572  158.740   10.640 9.897949 12.19404 
1 1 1   -6   20   21 o  108.099   6.6014   71.442   8.6002   61.761   9.8414  102.725   17.691   94.789   7.6615  121.409   10.753 -26.62033 13.20287 
1 1 1   -6   20   22 o   85.996   8.3048   54.734   8.0323   57.227   9.3751   47.850   15.576   91.239   7.5824   80.752   14.778 10.48737 16.60968 
1 1 1   -6   20   23 o   98.731   7.0466   65.218   8.3909   62.333   9.7481   73.467   16.485   95.207   7.5555  102.256   11.897 -7.048691 14.09323 
1 1 1   -6   20   24 o   83.984   8.2447   51.261   7.9169   52.573   9.2577   47.689   15.273   87.370   7.8192   80.598   14.518 6.771133 16.48940 
1 1 1   -6   20   25 o  104.909   6.9302   78.071   8.6680   79.893   10.173   73.243   16.561  107.864   6.9596  101.954   11.986 5.909081 13.86036 
1 1 1   -6   20   26 o   45.862   10.056   15.689   6.7666   17.858   7.9649   10.060   12.828   49.380   12.017   42.344   16.128 7.036037 20.11250 
1 1 1   -6   20   27 o  100.733   7.4269   69.328   9.8654   64.144   12.402   78.261   16.280   96.009   9.5322  105.457   11.392 -9.447891 14.85372 
1 1 1   -6   20   28 o   52.193   10.492   20.918   8.0451   26.004   10.359   13.189   12.770   59.312   13.226   45.074   16.291 14.23808 20.98342 
1 1 1   -6   20   29 o   74.246   8.9541   40.953   7.5855   42.175   8.8443   37.552   14.752   78.027   8.3643   70.464   15.835 7.563576 17.90828 
1 1 1   -6   20   30 o   53.282   9.7433   18.101   6.5699   13.628   7.6822   30.280   12.676   43.192   12.445   63.372   14.995 -20.18029 19.48653 
1 1 1   -6   20   31 o   70.651   8.5539   35.842   7.0855   35.571   8.3099   36.563   13.562   71.555   8.5698   69.747   14.807 1.808540 17.10779 
1 1 1   -6   20   32 o   42.120   10.054   12.351   6.4848   12.961   7.6939   10.853   12.050   42.157   12.541   42.082   15.718 0.7571793E-01 20.10830 
1 1 1   -6   20   33 o   69.610   9.2946   39.263   7.4491   43.811   8.7847   27.622   14.054   79.429   8.1614   59.791   16.702 19.63754 18.58928 
1 1 1   -6   20   34 o   94.307   6.7379   53.158   7.7991   42.037   8.9923   86.923   15.668   77.670   8.5434  110.943   10.422 -33.27283 13.47588 
1 1 1   -6   20   35 o   52.824   11.370   20.573   7.8982   20.573   7.8982   0.0000   0.0000   52.824   11.370  ?   ?       ?      ? 
1 1 1   -6   20   36 o   29.446   11.870   3.3371   7.2919   3.3371   7.2919   0.0000   0.0000   29.446   11.870  ?   ?       ?      ? 
1 1 1   -6   20   37 o  101.077   6.9025   72.437   8.3663   72.821   9.8121   71.412   16.013  102.545   7.0609   99.608   11.863 2.936905 13.80504 
1 1 1   -6   20   38 o   38.296   10.132   6.0610   8.0553   17.006   11.248  -5.4616   11.541   47.559   15.339   29.032   13.242 18.52653 20.26368 
1 1 1   -6   20   39 o   74.293   8.4631   41.138   7.3446   42.023   8.6844   38.915   13.764   77.483   8.2708   71.102   14.768 6.380966 16.92622 
1 1 1   -6   20   40 o   55.219   9.8914   20.655   6.9108   16.096   8.1484   32.338   13.044   46.119   12.655   64.318   15.205 -18.19966 19.78282 
1 1 1   -6   20   41 o   86.927   7.9791   54.959   8.9568   55.817   11.184   53.424   14.956   88.758   9.2987   85.096   12.969 3.662590 15.95828 
1 1 1   -6   20   42 o   80.543   8.3190   46.684   8.6853   45.174   10.761   49.506   14.712   79.496   9.9888   81.590   13.306 -2.094574 16.63796 
1 1 1   -6   20   43 o  110.896   7.0587   85.311   10.148   78.970   12.458   97.818   17.495  105.688   8.6981  116.104   11.120 -10.41632 14.11740 
1 1 1   -6   20   44 o   39.065   10.235   10.189   7.3859   13.492   9.2290   4.3057   12.318   42.378   13.909   35.753   15.018 6.625816 20.46953 
1 1 1   -6   20   45 o   39.566   9.5120   11.789   6.6369   16.304   7.7610  -0.4978   12.803   46.128   12.221   33.003   14.580 13.12408 19.02391 
1 1 1   -6   20   46 o   53.159   10.689   22.941   8.1489   25.860   10.897   19.237   12.274   57.203   14.139   49.114   16.036 8.088589 21.37890 
1 1 1   -6   20   47 o   99.300   7.4352   71.280   9.7999   69.601   12.604   73.847   15.584   98.485   9.4440  100.115   11.487 -1.630028 14.87050 
1 1 1   -6   20   48 o   46.718   9.1209   14.831   7.8286   32.421   10.773  -4.8499   11.396   64.854   12.713   28.581   13.082 36.27306 18.24175 
1 1 1   -6   20   49 o   83.468   8.0310   50.630   8.9800   45.966   11.676   57.384   14.050   79.123   10.889   87.813   11.807 -8.689964 16.06198 
1 1 1   -6   20   50 o   30.500   9.3689   0.7801   7.1620  -0.6490   9.5842   2.5873   10.778   28.598   12.625   32.401   13.846 -3.803574 18.73771 
1 1 1   -6   20   51 o   49.466   10.636   19.446   7.7212   16.206   10.125   23.949   11.936   45.135   14.552   53.796   15.516 -8.661133 21.27258 
1 1 1   -6   20   52 o   42.599   14.505   14.134   10.023   14.134   10.023   0.0000   0.0000   42.599   14.505  ?   ?       ?      ? 
1 1 1   -6   20   53 o   48.746   14.066   19.248   9.8067   19.248   9.8067   0.0000   0.0000   48.746   14.066  ?   ?       ?      ? 
1 1 1   -6   20   54 o   37.732   15.800   6.9480   13.567   6.9480   13.567   0.0000   0.0000   37.732   15.800  ?   ?       ?      ? 
1 1 1   -6   20   55 o   61.754   16.799   33.229   14.431   33.229   14.431   0.0000   0.0000   61.754   16.799  ?   ?       ?      ? 
1 1 1   -6   20   56 o   46.235   16.949   17.814   13.893   17.814   13.893   0.0000   0.0000   46.235   16.949  ?   ?       ?      ? 
1 1 1   -6   20   57 o   46.548   14.186   17.979   9.7573   17.979   9.7573   0.0000   0.0000   46.548   14.186  ?   ?       ?      ? 
1 1 1   -6   20   58 o   25.375   11.607  -3.4128   8.9502  -3.4128   8.9502   0.0000   0.0000   25.375   11.607  ?   ?       ?      ? 
1 1 1   -6   20   59 o   60.878   12.691   29.964   10.131   29.964   10.131   0.0000   0.0000   60.878   12.691  ?   ?       ?      ? 
1 1 1   -6   20   60 o   69.741   11.189   37.455   10.575   37.455   10.575   0.0000   0.0000   69.741   11.189  ?   ?       ?      ? 
1 1 1   -6   20   61 o   32.939   13.237   6.7557   9.0372   6.7557   9.0372   0.0000   0.0000   32.939   13.237  ?   ?       ?      ? 
1 1 1   -6   20   62 o   50.431   13.609   21.913   9.5160   21.913   9.5160   0.0000   0.0000   50.431   13.609  ?   ?       ?      ? 
1 1 1   -6   20   63 o   60.742   12.353   30.575   9.8216   30.575   9.8216   0.0000   0.0000   60.742   12.353  ?   ?       ?      ? 
1 1 1   -6   20   64 o   38.400   13.899   12.663   9.3008   12.663   9.3008   0.0000   0.0000   38.400   13.899  ?   ?       ?      ? 
1 1 1   -6   20   65 o   28.262   12.355   2.3383   8.9773   2.3383   8.9773   0.0000   0.0000   28.262   12.355  ?   ?       ?      ? 
1 1 1   -6   20   66 o   35.039   13.407   10.257   8.8897   10.257   8.8897   0.0000   0.0000   35.039   13.407  ?   ?       ?      ? 
1 1 1   -6   21    1 o   70.479   8.1443   35.729   7.4483   36.971   9.7717   34.007   11.507   72.796   9.9056   68.162   12.931 4.634224 16.28861 
1 1 1   -6   21    2 o   71.876   8.4699   40.172   7.4880   52.771   9.9618   23.809   11.353   87.323   8.4183   56.429   14.700 30.89389 16.93973 
1 1 1   -6   21    3 o   39.916   10.742   9.1794   7.4590   10.738   8.5324   4.1272   15.361   39.714   13.383   40.118   16.807 -0.4043732 21.48487 
1 1 1   -6   21    4 o   63.595   10.369   35.045   8.3451   41.258   9.6214   16.177   16.767   77.053   9.2145   50.138   18.578 26.91440 20.73750 
1 1 1   -6   21    5 o   68.206   10.771   35.537   8.6227   36.836   9.8639   31.330   17.756   72.638   10.021   63.774   19.070 8.864323 21.54222 
1 1 1   -6   21    6 o   62.467   10.474   18.755   8.1162   9.0491   9.1058   56.269   17.902   38.105   13.759   86.829   15.796 -48.72356 20.94790 
1 1 1   -6   21    7 f   36.564   9.6469   5.8119   6.5486   0.9837   8.3643   13.459   10.526   29.059   12.300   44.070   14.865 -15.01037 19.29378 
1 1 1   -6   21    8 o   36.833   9.5263   5.0125   6.6568  -1.9872   8.5657   15.688   10.578   27.008   11.929   46.657   14.856 -19.64865 19.05261 
1 1 1   -6   21    9 o   51.663   12.863   18.558   11.322   22.204   15.292   14.134   16.844   54.823   17.899   48.503   18.479 6.320404 25.72677 
1 1 1   -6   21   10 o   56.199   19.122   23.145   17.420   0.0000   0.0000   23.145   17.420  ?   ?    56.199   19.122      ?      ? 
1 1 1   -6   21   11 o  109.880   8.1992   85.825   12.031   88.999   15.925   81.604   18.363  112.690   10.428  107.070   12.656 5.619759 16.39850 
1 1 1   -6   21   12 o   46.802   10.785   13.494   7.1469   10.425   8.3136   22.186   13.990   39.120   13.210   54.485   17.052 -15.36437 21.57063 
1 1 1   -6   21   13 o   43.045   10.294   12.866   6.8693   13.690   8.2350   10.981   12.455   43.404   12.989   42.686   15.973 0.7176323 20.58760 
1 1 1   -6   21   14 o   49.415   10.395   16.325   7.0629   12.941   8.4679   24.061   12.804   42.442   13.264   56.387   16.009 -13.94514 20.78986 
1 1 1   -6   21   15 o   39.575   9.5719   10.307   6.9740   16.491   8.3961  -3.4538   12.525   47.246   12.797   31.905   14.238 15.34144 19.14389 
1 1 1   -6   21   16 o   70.774   9.0234   33.351   7.7492   28.221   9.1430   46.435   14.601   62.374   11.230   79.174   14.127 -16.80036 18.04685 
1 1 1   -6   21   17 o   43.186   10.408   12.964   7.0127   13.770   8.3927   11.099   12.765   43.470   13.136   42.902   16.147 0.5673981 20.81592 
1 1 1   -6   21   18 o   55.562   10.279   21.778   7.3564   19.126   8.8017   27.923   13.398   50.726   12.803   60.399   16.083 -9.672314 20.55719 
1 1 1   -6   21   19 o   41.482   9.5595   12.299   6.9328   18.381   8.4115  -0.5821   12.242   49.763   12.492   33.202   14.473 16.56141 19.11902 
1 1 1   -6   21   20 o   95.272   7.7251   66.857   9.0197   71.279   10.918   57.349   16.008  101.391   7.9460   89.154   13.250 12.23631 15.45017 
1 1 1   -6   21   21 o   55.956   11.634   23.991   9.4053   24.651   13.518   23.372   13.094   56.638   16.564   55.274   16.341 1.364613 23.26819 
1 1 1   -6   21   22 o   63.096   11.100   30.981   9.8995   18.497   14.135   42.999   13.869   50.325   17.224   75.866   14.006 -25.54072 22.20011 
1 1 1   -6   21   23 o   80.465   10.454   47.634   10.973   66.307   16.533   32.933   14.670   95.883   12.724   65.047   16.591 30.83559 20.90821 
1 1 1   -6   21   24 o   99.831   7.3369   69.807   9.3835   68.377   11.492   72.668   16.253   98.982   8.5677  100.681   11.913 -1.698616 14.67384 
1 1 1   -6   21   25 o   51.316   10.456   18.523   7.3266   15.089   8.9069   25.709   12.884   45.044   13.515   57.589   15.958 -12.54575 20.91180 
1 1 1   -6   21   26 o   50.955   10.488   18.505   7.4156   15.039   9.1412   25.177   12.682   44.958   13.737   56.951   15.851 -11.99342 20.97503 
1 1 1   -6   21   27 o   43.285   10.106   13.862   7.1658   17.716   8.9507   6.9820   11.958   48.436   13.252   38.134   15.262 10.30206 20.21248 
1 1 1   -6   21   28 o   61.823   9.5831   26.470   7.6799   18.259   9.5224   41.750   12.990   49.018   13.768   74.627   13.334 -25.60865 19.16629 
1 1 1   -6   21   29 o   39.410   9.8184   10.047   7.3207   16.599   9.0675  -2.2191   12.407   46.824   13.529   31.997   14.232 14.82720 19.63690 
1 1 1   -6   21   30 o   79.952   9.6137   45.280   10.416   45.280   10.416   0.0000   0.0000   79.952   9.6137  ?   ?       ?      ? 
1 1 1   -6   21   31 o   97.211   8.6148   66.445   11.349   66.445   11.349   0.0000   0.0000   97.211   8.6148  ?   ?       ?      ? 
1 1 1   -6   21   32 o   43.832   10.830   12.624   8.3472   5.2800   11.424   21.036   12.226   35.883   14.711   51.782   15.898 -15.89881 21.66005 
1 1 1   -6   21   33 f   44.129   10.895   13.389   8.2393   7.8177   11.192   19.981   12.174   37.753   14.875   50.506   15.923 -12.75266 21.78957 
1 1 1   -6   21   34 o   45.718   9.6014   10.846   6.3768   3.9626   7.4488   29.730   12.338   30.026   12.035   61.410   14.963 -31.38351 19.20274 
1 1 1   -6   21   35 o   39.324   8.9994   11.735   6.2926   17.331   7.4231  -2.5570   11.863   47.871   11.571   30.776   13.787 17.09502 17.99876 
1 1 1   -6   21   36 o   37.610   9.7605   9.6595   6.3443   11.590   7.3507   4.0208   12.562   39.430   12.364   35.789   15.107 3.640484 19.52094 
1 1 1   -6   21   37 o   39.830   10.118   10.544   6.3718   9.6415   7.4503   13.002   12.295   36.723   12.505   42.936   15.909 -6.212997 20.23534 
1 1 1   -6   21   38 o   47.821   10.085   16.834   6.4478   15.402   7.5311   20.765   12.478   44.841   12.109   50.801   16.131 -5.959862 20.17072 
1 1 1   -6   21   39 o   36.843   9.9669   5.3704   6.2915   1.6872   7.2479   16.630   12.672   27.291   11.495   46.395   16.286 -19.10405 19.93372 
1 1 1   -6   21   40 o   58.031   9.7516   24.246   6.8546   21.401   7.9597   32.409   13.485   53.093   11.403   62.970   15.822 -9.877598 19.50313 
1 1 1   -6   21   41 o   51.480   10.819   20.275   8.1102   14.677   10.417   28.888   12.922   43.661   14.788   59.298   15.797 -15.63674 21.63850 
1 1 1   -6   21   42 o   53.135   10.020   23.647   8.0665   33.184   10.661   10.873   12.338   65.710   12.427   40.559   15.722 25.15109 20.03999 
1 1 1   -6   21   43 o   65.227   9.4160   31.003   8.2250   17.608   10.534   51.928   13.166   46.898   14.814   83.555   11.628 -36.65687 18.83204 
1 1 1   -6   21   44 o   43.427   10.619   14.684   7.6815   16.813   10.233   11.935   11.626   45.887   14.612   40.967   15.412 4.919685 21.23805 
1 1 1   -6   21   45 o   37.213   10.043   8.1972   7.5745   14.475   10.122   0.2087   11.419   43.049   14.577   31.377   13.819 11.67245 20.08613 
1 1 1   -6   21   46 o   50.291   11.658   21.240   9.1117   20.424   14.358   21.790   11.790   49.396   17.335   51.187   15.592 -1.790356 23.31592 
1 1 1   -6   21   47 o   42.610   11.441   13.469   9.0738   12.639   13.930   14.081   11.959   42.351   16.624   42.869   15.723 -0.5171852 22.88162 
1 1 1   -6   21   48 o   36.431   15.376   5.7362   13.011   5.7362   13.011   0.0000   0.0000   36.431   15.376  ?   ?       ?      ? 
1 1 1   -6   21   49 o   36.837   15.332   6.8566   12.664   6.8566   12.664   0.0000   0.0000   36.837   15.332  ?   ?       ?      ? 
1 1 1   -6   21   50 o   30.127   12.740   2.9000   8.9609   2.9000   8.9609   0.0000   0.0000   30.127   12.740  ?   ?       ?      ? 
1 1 1   -6   21   51 o   22.635   10.683  -7.3924   8.5640  -7.3924   8.5640   0.0000   0.0000   22.635   10.683  ?   ?       ?      ? 
1 1 1   -6   21   52 o   28.546   12.421   1.1250   8.9817   1.1250   8.9817   0.0000   0.0000   28.546   12.421  ?   ?       ?      ? 
1 1 1   -6   21   53 o   49.276   14.239   20.549   10.043   20.549   10.043   0.0000   0.0000   49.276   14.239  ?   ?       ?      ? 
1 1 1   -6   21   54 f   28.399   12.393   1.1931   8.9961   1.1931   8.9961   0.0000   0.0000   28.399   12.393  ?   ?       ?      ? 
1 1 1   -6   21   55 o   39.405   13.766   12.667   9.0489   12.667   9.0489   0.0000   0.0000   39.405   13.766  ?   ?       ?      ? 
1 1 1   -6   21   56 o   27.788   12.124   1.3436   8.6076   1.3436   8.6076   0.0000   0.0000   27.788   12.124  ?   ?       ?      ? 
1 1 1   -6   21   57 o   25.517   11.525  -1.4133   8.4842  -1.4133   8.4842   0.0000   0.0000   25.517   11.525  ?   ?       ?      ? 
1 1 1   -6   21   58 o   23.487   10.950  -4.6466   8.5365  -4.6466   8.5365   0.0000   0.0000   23.487   10.950  ?   ?       ?      ? 
1 1 1   -6   21   59 o   30.382   12.673   5.0131   8.6796   5.0131   8.6796   0.0000   0.0000   30.382   12.673  ?   ?       ?      ? 
1 1 1   -6   21   60 o   31.024   12.716   6.0926   8.5322   6.0926   8.5322   0.0000   0.0000   31.024   12.716  ?   ?       ?      ? 
1 1 1   -6   21   61 o   28.451   12.151   3.6891   8.2919   3.6891   8.2919   0.0000   0.0000   28.451   12.151  ?   ?       ?      ? 
1 1 1   -6   21   62 o   23.397   10.821  -2.7311   8.0854  -2.7311   8.0854   0.0000   0.0000   23.397   10.821  ?   ?       ?      ? 
1 1 1   -6   22    1 o   31.003   8.7401   2.8373   6.1251   8.7311   7.6940  -7.3614   10.121   36.109   12.689   25.896   12.023 10.21243 17.48012 
1 1 1   -6   22    2 o   41.952   9.3386   13.274   7.0655   20.526   8.3284  -5.3487   13.346   52.393   11.990   31.511   14.321 20.88203 18.67711 
1 1 1   -6   22    3 o   32.418   9.7291   1.7822   6.7080   0.7035   7.8661   4.6578   12.843   27.713   11.835   37.124   15.445 -9.410627 19.45814 
1 1 1   -6   22    4 o   50.798   10.763   18.709   7.3743   17.289   8.6525   22.480   14.097   47.850   13.004   53.745   17.154 -5.894886 21.52624 
1 1 1   -6   22    5 f   60.873   10.245   25.141   7.5921   20.808   8.8213   37.519   14.910   52.571   12.555   69.174   16.192 -16.60336 20.48906 
1 1 1   -6   22    6 f   40.352   10.557   9.9249   6.9954   9.0329   8.1789   12.356   13.501   36.838   13.069   43.865   16.585 -7.026844 21.11476 
1 1 1   -6   22    7 o   58.698   10.364   22.240   7.5585   16.419   8.7672   39.094   14.918   46.642   13.249   70.754   15.941 -24.11190 20.72827 
1 1 1   -6   22    8 o   88.451   6.8788   55.332   8.0747   55.243   10.428   55.464   12.760   88.748   8.6711   88.154   10.681 0.5942001 13.75765 
1 1 1   -6   22    9 o   44.191   9.6012   12.609   6.5866   5.9716   8.4150   23.108   10.583   33.524   12.987   54.859   14.145 -21.33471 19.20246 
1 1 1   -6   22   10 o   42.263   10.224   8.0689   7.0131   1.6432   8.3031   24.064   13.100   29.164   12.294   55.362   16.339 -26.19788 20.44760 
1 1 1   -6   22   11 f   44.969   9.5728   16.426   6.4209   19.679   7.3536   5.9843   13.173   51.597   10.861   38.341   15.767 13.25571 19.14570 
1 1 1   -6   22   12 o   36.445   9.9233   7.4156   6.1437   7.4283   6.9984   7.3731   12.829   33.815   12.079   39.076   15.748 -5.260876 19.84654 
1 1 1   -6   22   13 o   86.865   7.6546   52.961   7.6151   52.001   8.6841   56.154   15.843   86.449   7.4127   87.281   13.395 -0.8313828 15.30923 
1 1 1   -6   22   14 o   48.147   10.290   16.822   6.4786   16.252   7.3560   18.795   13.679   46.553   11.680   49.741   16.945 -3.188190 20.58011 
1 1 1   -6   22   15 o   43.636   10.020   14.252   7.7206   21.346   9.4402  -0.0777   13.417   52.876   13.212   34.397   15.069 18.47969 20.04069 
1 1 1   -6   22   16 o   88.031   9.4900   54.924   11.321   54.924   11.321   0.0000   0.0000   88.031   9.4900  ?   ?       ?      ? 
1 1 1   -6   22   17 o   56.397   13.215   24.310   9.9234   24.310   9.9234   0.0000   0.0000   56.397   13.215  ?   ?       ?      ? 
1 1 1   -6   22   18 o   31.615   9.5585   0.6502   6.1056  -1.1220   6.9035   7.0144   13.083   24.427   10.752   38.804   15.807 -14.37732 19.11710 
1 1 1   -6   22   19 o   43.611   10.319   12.569   6.2358   11.108   7.0556   17.781   13.328   38.833   12.103   48.390   16.718 -9.556576 20.63877 
1 1 1   -6   22   20 f   40.138   9.8228   11.595   6.0768   12.642   6.9280   8.1016   12.654   41.069   11.814   39.207   15.696 1.861572 19.64561 
1 1 1   -6   22   21 o   44.703   10.297   13.379   6.3147   11.502   7.2091   19.565   13.090   39.387   12.227   50.020   16.572 -10.63297 20.59407 
1 1 1   -6   22   22 f   92.316   7.1308   55.016   7.6480   49.843   8.6415   73.712   16.429   84.411   7.5545  100.221   12.096 -15.81002 14.26165 
1 1 1   -6   22   23 o   41.902   9.8377   13.552   6.4632   15.872   7.4475   6.4755   13.008   45.718   11.904   38.085   15.666 7.633041 19.67536 
1 1 1   -6   22   24 o   60.122   9.3796   25.764   7.6419   25.764   7.6419   0.0000   0.0000   60.122   9.3796  ?   ?       ?      ? 
1 1 1   -6   22   25 o   64.149   9.0875   29.270   7.8999   29.270   7.8999   0.0000   0.0000   64.149   9.0875  ?   ?       ?      ? 
1 1 1   -6   22   26 o   30.562   8.4531   2.9750   6.0976   9.9073   6.9710 -19.6068   12.582   36.875   12.088   24.249   11.820 12.62563 16.90611 
1 1 1   -6   22   27 o   63.651   11.016   32.132   9.4296   26.645   12.588   39.147   14.235   57.353   15.726   69.949   15.431 -12.59614 22.03210 
1 1 1   -6   22   28 o   38.008   10.071   9.3557   6.3490   9.5618   7.2631   8.6878   13.073   36.460   12.347   39.557   15.912 -3.097336 20.14108 
1 1 1   -6   22   29 o   41.052   9.7818   13.012   6.2918   14.950   7.2044   6.7812   12.916   44.209   11.804   37.896   15.601 6.313309 19.56366 
1 1 1   -6   22   30 o   29.830   9.1050  -1.2089   6.0010  -4.3165   6.9668   7.7256   11.813   21.981   10.123   37.679   15.137 -15.69803 18.21009 
1 1 1   -6   22   31 o   33.321   9.3192   4.4632   7.0527   11.274   8.5449 -10.0919   12.492   39.120   13.392   27.523   12.963 11.59647 18.63848 
1 1 1   -6   22   32 o   28.263   8.8268  -1.3154   6.7994   3.1230   8.3570 -10.0075   11.695   30.068   12.480   26.458   12.486 3.609543 17.65360 
1 1 1   -6   22   33 o   59.135   10.101   25.433   7.7115   19.336   9.3773   38.170   13.553   49.406   13.584   68.865   14.952 -19.45934 20.20099 
1 1 1   -6   22   34 o   36.702   10.117   7.6036   6.9211   5.6831   8.4789   11.438   11.981   32.610   12.915   40.794   15.575 -8.184235 20.23337 
1 1 1   -6   22   35 o   31.298   9.4477   2.3588   6.8043   1.8991   8.4425   3.2110   11.494   28.996   12.319   33.600   14.327 -4.604603 18.89532 
1 1 1   -6   22   36 o   29.122   9.4179  -4.4167   8.3191  -5.5896   12.271  -3.4190   11.317   29.146   13.427   29.097   13.210 0.4972839E-01 18.83580 
1 1 1   -6   22   37 o   48.909   11.499   19.646   9.4090   11.448   13.951   26.485   12.743   41.632   16.542   56.186   15.978 -14.55392 22.99882 
1 1 1   -6   22   38 o   50.828   11.880   21.832   9.5214   21.014   13.796   22.577   13.157   49.984   17.017   51.672   16.581 -1.687454 23.75956 
1 1 1   -6   22   39 o   51.119   10.346   22.385   8.0327   28.690   10.345   12.813   12.747   60.234   13.051   42.003   16.058 18.23073 20.69294 
1 1 1   -6   22   40 o   32.039   9.3394  -1.0103   7.0391  -9.7344   8.9330   13.280   11.433   22.241   10.615   41.837   15.369 -19.59562 18.67878 
1 1 1   -6   22   41 o   49.692   10.490   20.715   7.5898   22.197   9.6656   18.333   12.257   52.395   13.522   46.988   16.040 5.406792 20.97907 
1 1 1   -6   22   42 f   37.702   10.333   9.2959   7.2651   8.1717   9.0114   11.383   12.280   35.213   13.492   40.192   15.655 -4.978977 20.66699 
1 1 1   -6   22   43 o   38.433   13.768   11.143   9.0996   11.143   9.0996   0.0000   0.0000   38.433   13.768  ?   ?       ?      ? 
1 1 1   -6   22   44 o   72.126   10.508   38.848   10.271   38.848   10.271   0.0000   0.0000   72.126   10.508  ?   ?       ?      ? 
1 1 1   -6   22   45 o   30.228   12.695   3.4462   8.7981   3.4462   8.7981   0.0000   0.0000   30.228   12.695  ?   ?       ?      ? 
1 1 1   -6   22   46 o   44.616   13.931   16.563   9.3440   16.563   9.3440   0.0000   0.0000   44.616   13.931  ?   ?       ?      ? 
1 1 1   -6   22   47 o   65.437   11.804   33.815   10.082   33.815   10.082   0.0000   0.0000   65.437   11.804  ?   ?       ?      ? 
1 1 1   -6   22   48 o   62.494   12.238   31.392   9.9931   31.392   9.9931   0.0000   0.0000   62.494   12.238  ?   ?       ?      ? 
1 1 1   -6   22   49 o   49.184   13.543   20.533   9.3130   20.533   9.3130   0.0000   0.0000   49.184   13.543  ?   ?       ?      ? 
1 1 1   -6   22   50 o   43.628   13.722   16.317   9.0466   16.317   9.0466   0.0000   0.0000   43.628   13.722  ?   ?       ?      ? 
1 1 1   -6   22   51 o   48.346   13.507   20.193   9.1903   20.193   9.1903   0.0000   0.0000   48.346   13.507  ?   ?       ?      ? 
1 1 1   -6   22   52 f   35.739   13.249   10.172   8.5303   10.172   8.5303   0.0000   0.0000   35.739   13.249  ?   ?       ?      ? 
1 1 1   -6   22   53 o   56.062   12.932   26.930   9.6242   26.930   9.6242   0.0000   0.0000   56.062   12.932  ?   ?       ?      ? 
1 1 1   -6   22   54 o   23.872   10.964  -2.5487   8.0981  -2.5487   8.0981   0.0000   0.0000   23.872   10.964  ?   ?       ?      ? 
1 1 1   -6   22   55 o   18.319   8.9541 -11.0176   7.3664 -11.0176   7.3664   0.0000   0.0000   18.319   8.9541  ?   ?       ?      ? 
1 1 1   -6   22   56 o   23.753   10.886  -1.9229   7.9241  -1.9229   7.9241   0.0000   0.0000   23.753   10.886  ?   ?       ?      ? 
1 1 1   -6   23    1 o   48.632   9.7650   16.960   6.8259   10.776   8.6524   27.153   11.108   38.662   13.463   58.603   14.148 -19.94080 19.52997 
1 1 1   -6   23    2 o   36.316   9.6046   8.5260   6.2816   8.5370   8.0947   8.5094   9.9593   35.636   12.956   36.996   14.182 -1.360111 19.20926 
1 1 1   -6   23    3 o   44.733   9.7600   14.680   6.4332   11.284   8.1967   20.126   10.381   39.111   13.118   50.355   14.455 -11.24389 19.51994 
1 1 1   -6   23    4 o   46.253   9.7931   16.847   6.5970   18.001   8.4884   15.088   10.483   48.179   12.788   44.326   14.835 3.853298 19.58621 
1 1 1   -6   23    5 o   55.691   9.4317   24.465   6.9543   25.739   9.0029   22.580   10.950   58.220   11.815   53.161   14.705 5.058617 18.86338 
1 1 1   -6   23    6 o   30.887   8.8640  -0.7178   6.3215  -8.7286   8.1311   11.523   10.051   21.584   10.253   40.189   14.463 -18.60441 17.72809 
1 1 1   -6   23    7 o   34.388   10.011   4.8992   7.5937   0.3379   12.260   7.7383   9.6725   32.791   14.384   35.986   13.928 -3.195629 20.02221 
1 1 1   -6   23    8 o   33.047   9.8924   1.4248   7.6530   8.4967   12.148  -3.2289   9.8544   38.640   15.410   27.455   12.409 11.18520 19.78483 
1 1 1   -6   23    9 o   72.955   9.3536   38.682   8.8707   52.602   14.437   30.238   11.244   83.786   12.715   62.124   13.722 21.66235 18.70714 
1 1 1   -6   23   10 o   43.401   10.363   13.586   6.3384   13.254   7.1081   14.873   14.005   41.674   11.961   45.128   16.927 -3.453903 20.72673 
1 1 1   -6   23   11 o   54.143   9.9642   21.794   6.4587   20.657   7.3060   25.863   13.817   52.497   10.634   55.789   16.854 -3.292137 19.92840 
1 1 1   -6   23   12 o   27.376   8.7794  -1.5077   5.8796  -0.5879   6.5767  -5.1690   13.122   24.104   10.555   30.648   14.032 -6.543280 17.55886 
1 1 1   -6   23   13 o  107.175   7.1042   80.252   8.5263   78.055   9.6171   88.323   18.431  105.746   6.7112  108.605   12.524 -2.858864 14.20841 
1 1 1   -6   23   14 o   59.690   8.8932   17.670   6.3529   9.6381   7.0571   51.991   14.589   36.373   12.172   83.007   12.969 -46.63400 17.78648 
1 1 1   -6   23   15 o   30.481   9.3063   0.5761   5.7627  -0.9693   6.4659   6.5445   12.707   23.556   10.386   37.407   15.446 -13.85101 18.61265 
1 1 1   -6   23   16 o   62.550   9.2881   27.735   6.6261   25.668   7.4969   35.114   14.165   59.816   9.2487   65.283   16.110 -5.466919 18.57623 
1 1 1   -6   23   17 o   59.070   9.7049   28.078   6.7760   29.002   7.7016   24.915   14.256   63.690   8.9234   54.451   17.237 9.239315 19.40980 
1 1 1   -6   23   18 o   37.357   12.007   10.413   6.8973   10.413   6.8973   0.0000   0.0000   37.357   12.007  ?   ?       ?      ? 
1 1 1   -6   23   19 o   53.591   10.291   21.473   7.2021   21.473   7.2021   0.0000   0.0000   53.591   10.291  ?   ?       ?      ? 
1 1 1   -6   23   20 o   26.821   8.6478  -2.8295   5.7821  -3.4719   6.5688  -0.6192   12.185   21.751   9.9474   31.890   14.149 -10.13972 17.29563 
1 1 1   -6   23   21 o   45.374   11.235   15.330   8.4822   11.350   10.999   21.171   13.324   40.175   15.015   50.573   16.718 -10.39754 22.47060 
1 1 1   -6   23   22 o   34.396   9.7500   3.5146   5.9465   0.5853   6.7219   14.059   12.753   25.302   10.877   43.490   16.185 -18.18830 19.50004 
1 1 1   -6   23   23 o   28.498   9.2259  -3.9074   7.1572  -4.9801   8.4374  -1.1547   13.516   24.037   11.095   32.959   14.743 -8.921375 18.45171 
1 1 1   -6   23   24 o   33.258   13.212   6.0026   8.8984   6.0026   8.8984   0.0000   0.0000   33.258   13.212  ?   ?       ?      ? 
1 1 1   -6   23   25 o   29.484   8.9669   2.1511   5.9885   4.1791   6.8055  -4.8073   12.606   29.046   11.550   29.922   13.720 -0.8763542 17.93384 
1 1 1   -6   23   26 o   57.084   9.8565   24.858   6.6482   23.726   7.5591   28.721   13.970   56.233   10.299   57.936   16.808 -1.702896 19.71291 
1 1 1   -6   23   27 o   55.303   9.7078   25.869   6.7984   27.859   7.7915   19.520   13.915   62.075   9.2624   48.531   17.064 13.54469 19.41561 
1 1 1   -6   23   28 f   37.849   9.1126   11.019   6.3513   15.997   7.3314  -3.9560   12.715   45.312   11.817   30.387   13.875 14.92472 18.22517 
1 1 1   -6   23   29 o   50.268   10.309   19.733   6.6847   18.927   7.6347   22.380   13.837   49.384   11.605   51.152   17.043 -1.768291 20.61863 
1 1 1   -6   23   30 o   36.260   9.8014   4.4391   6.1419   0.0031   7.0388   18.595   12.574   25.163   10.972   47.356   16.245 -22.19365 19.60274 
1 1 1   -6   23   31 o   35.737   9.7181   7.1646   7.3761   13.987   9.4210  -3.6414   11.857   42.069   14.064   29.405   13.416 12.66313 19.43617 
1 1 1   -6   23   32 o   38.237   10.320   10.140   7.2946   9.9835   9.2618   10.395   11.838   37.337   13.813   39.137   15.336 -1.800369 20.63945 
1 1 1   -6   23   33 o   35.219   9.9860   7.1389   7.0865   6.4444   8.9947   8.2754   11.506   33.415   13.281   37.024   14.916 -3.609325 19.97192 
1 1 1   -6   23   34 o   39.461   10.244   8.8254   7.2138   2.7561   8.8772   20.625   12.378   29.881   12.661   49.040   16.109 -19.15894 20.48857 
1 1 1   -6   23   35 o   41.390   10.553   13.115   7.3122   11.891   9.0642   15.396   12.374   39.185   13.772   43.595   15.993 -4.409714 21.10570 
1 1 1   -6   23   36 o   34.802   9.7360   3.6574   6.8691  -2.6881   8.3906   16.553   11.961   25.056   11.375   44.548   15.804 -19.49244 19.47190 
1 1 1   -6   23   37 o   26.614   8.5990  -4.9813   6.5861  -9.0597   8.1347   2.7791   11.221   21.033   10.064   32.194   13.946 -11.16090 17.19809 
1 1 1   -6   23   38 o   26.074   11.622  -0.8902   8.3174  -0.8902   8.3174   0.0000   0.0000   26.074   11.622  ?   ?       ?      ? 
1 1 1   -6   23   39 o   33.896   13.125   7.7151   8.5915   7.7151   8.5915   0.0000   0.0000   33.896   13.125  ?   ?       ?      ? 
1 1 1   -6   23   40 o   35.947   13.373   9.6487   8.7054   9.6487   8.7054   0.0000   0.0000   35.947   13.373  ?   ?       ?      ? 
1 1 1   -6   23   41 o   24.890   11.290  -2.1534   8.2427  -2.1534   8.2427   0.0000   0.0000   24.890   11.290  ?   ?       ?      ? 
1 1 1   -6   23   42 o   29.341   12.379   3.4679   8.4282   3.4679   8.4282   0.0000   0.0000   29.341   12.379  ?   ?       ?      ? 
1 1 1   -6   23   43 o   31.721   12.759   6.1839   8.4048   6.1839   8.4048   0.0000   0.0000   31.721   12.759  ?   ?       ?      ? 
1 1 1   -6   23   44 o   22.047   10.354  -5.5334   7.8691  -5.5334   7.8691   0.0000   0.0000   22.047   10.354  ?   ?       ?      ? 
1 1 1   -6   23   45 o   33.888   13.094   8.5156   8.5367   8.5156   8.5367   0.0000   0.0000   33.888   13.094  ?   ?       ?      ? 
1 1 1   -6   23   46 o   41.740   13.602   15.367   8.8316   15.367   8.8316   0.0000   0.0000   41.740   13.602  ?   ?       ?      ? 
1 1 1   -6   23   47 o   18.203   8.9515 -13.0146   7.7123 -13.0146   7.7123   0.0000   0.0000   18.203   8.9515  ?   ?       ?      ? 
1 1 1   -6   23   48 o   19.912   9.6392  -9.6750   7.9901  -9.6750   7.9901   0.0000   0.0000   19.912   9.6392  ?   ?       ?      ? 
1 1 1   -6   23   49 o   38.164   13.446   13.066   8.6439   13.066   8.6439   0.0000   0.0000   38.164   13.446  ?   ?       ?      ? 
1 1 1   -6   24    1 o   41.705   10.496   13.361   7.5982   9.8509   11.425   16.145   10.174   38.624   15.085   44.787   14.599 -6.162930 20.99273 
1 1 1   -6   24    2 o   32.603   9.4485   2.9988   7.2204  -5.4386   10.521   10.510   9.9271   26.787   12.373   38.419   14.283 -11.63188 18.89709 
1 1 1   -6   24    3 o   37.874   10.114   8.5708   7.4701   15.936   10.919   2.0901   10.242   44.568   15.139   31.181   13.416 13.38737 20.22791 
1 1 1   -6   24    4 o   40.747   10.447   12.497   7.4443   11.360   11.082   13.432   10.049   39.849   15.035   41.645   14.509 -1.795300 20.89433 
1 1 1   -6   24    5 o   32.185   9.5071   3.7626   7.0089   0.8450   10.165   6.4069   9.6771   30.186   13.173   34.184   13.712 -3.998156 19.01426 
1 1 1   -6   24    6 o   50.818   10.485   21.233   7.6358   22.283   11.422   20.385   10.268   51.721   15.254   49.915   14.390 1.805908 20.97005 
1 1 1   -6   24    7 o   32.383   8.4462  -3.4102   6.9586 -26.0981   10.083   17.226   9.6159   18.604   9.3244   46.162   14.086 -27.55794 16.89247 
1 1 1   -6   24    8 o   31.219   9.0153   4.5049   5.9749   5.1637   7.6948   3.5046   9.4819   31.022   12.298   31.416   13.185 -0.3946590 18.03050 
1 1 1   -6   24    9 o   36.415   9.9792   3.7504   6.6993  -1.7562   7.8146   19.018   13.012   25.029   11.202   47.802   16.518 -22.77386 19.95850 
1 1 1   -6   24   10 o   26.984   10.981   3.0178   6.3066   3.0178   6.3066   0.0000   0.0000   26.984   10.981  ?   ?       ?      ? 
1 1 1   -6   24   11 o   21.326   9.7452  -3.1468   6.2877  -3.1468   6.2877   0.0000   0.0000   21.326   9.7452  ?   ?       ?      ? 
1 1 1   -6   24   12 o   64.557   8.5052   29.935   7.4407   29.935   7.4407   0.0000   0.0000   64.557   8.5052  ?   ?       ?      ? 
1 1 1   -6   24   13 o   40.339   10.190   9.3596   5.9178   6.6387   6.6089   20.367   13.293   31.667   11.677   49.012   16.704 -17.34529 20.38058 
1 1 1   -6   24   14 o   44.760   9.8661   10.407   6.0102   5.1434   6.7611   30.231   13.122   29.945   11.630   59.574   15.941 -29.62841 19.73214 
1 1 1   -6   24   15 o   32.144   9.6928   0.9542   8.0051   9.0688   10.899  -8.5498   11.796   37.411   14.698   26.877   12.640 10.53322 19.38564 
1 1 1   -6   24   16 o   39.840   9.0005   13.270   6.1768   17.900   7.1353  -0.5728   12.338   48.065   11.168   31.614   14.118 16.45140 18.00105 
1 1 1   -6   24   17 o   19.115   6.6816 -12.7757   5.3970 -10.1272   6.1944 -21.1215   10.996   17.043   8.3044   21.187   10.470 -4.143246 13.36322 
1 1 1   -6   24   18 o   33.367   9.3870   6.5260   5.9391   7.2410   6.9090   4.5022   11.624   32.588   11.951   34.146   14.479 -1.557697 18.77410 
1 1 1   -6   24   19 o   40.759   9.8318   12.205   6.0008   10.862   7.0518   15.728   11.425   37.543   12.149   43.974   15.462 -6.430950 19.66352 
1 1 1   -6   24   20 o   28.598   8.7224   1.9497   5.7140   2.8926   6.6886  -0.5973   10.992   27.238   11.222   29.957   13.356 -2.718437 17.44474 
1 1 1   -6   24   21 o   39.848   9.8510   9.3226   6.0649   5.2083   7.0498   21.040   11.897   30.171   11.831   49.524   15.754 -19.35242 19.70204 
1 1 1   -6   24   22 o   28.434   8.8265   0.8953   5.9882   1.0682   7.0507   0.4478   11.344   25.938   11.145   30.930   13.690 -4.991899 17.65302 
1 1 1   -6   24   23 o   27.645   8.3613   0.6941   6.0018   5.8735   7.0886 -12.4195   11.279   30.912   11.935   24.378   11.713 6.534023 16.72256 
1 1 1   -6   24   24 o   28.453   8.3898   1.6668   6.0101   7.4429   7.0550 -13.6149   11.475   32.748   12.067   24.158   11.660 8.589653 16.77957 
1 1 1   -6   24   25 o   34.846   9.9785   5.9803   7.0420   2.7542   8.6743   12.216   12.060   29.436   12.496   40.256   15.561 -10.82005 19.95704 
1 1 1   -6   24   26 o   39.429   9.6359   12.301   7.0349   18.210   8.7454   1.4652   11.842   47.003   13.191   31.855   14.050 15.14780 19.27177 
1 1 1   -6   24   27 o   42.051   10.426   14.702   7.3258   15.983   9.1855   12.465   12.144   43.805   13.833   40.297   15.604 3.507820 20.85240 
1 1 1   -6   24   28 o   24.008   8.0102  -8.4428   6.4030 -12.3073   7.9783  -1.4491   10.733   19.281   9.4014   28.734   12.972 -9.453259 16.02044 
1 1 1   -6   24   29 o   29.380   9.1558  -0.4187   6.8773  -4.1138   8.5981   6.1445   11.459   24.264   11.200   34.495   14.487 -10.23077 18.31155 
1 1 1   -6   24   30 o   46.737   10.385   19.657   7.6149   23.151   9.5137   13.426   12.703   52.569   13.334   40.905   15.926 11.66424 20.77086 
1 1 1   -6   24   31 o   31.477   12.920   5.3323   8.8238   5.3323   8.8238   0.0000   0.0000   31.477   12.920  ?   ?       ?      ? 
1 1 1   -6   24   32 o   28.626   12.166   2.8894   8.2377   2.8894   8.2377   0.0000   0.0000   28.626   12.166  ?   ?       ?      ? 
1 1 1   -6   24   33 o   29.275   12.357   3.5192   8.4046   3.5192   8.4046   0.0000   0.0000   29.275   12.357  ?   ?       ?      ? 
1 1 1   -6   24   34 o   74.952   10.153   42.969   10.312   42.969   10.312   0.0000   0.0000   74.952   10.153  ?   ?       ?      ? 
1 1 1   -6   24   35 o   33.851   13.258   8.2149   8.8437   8.2149   8.8437   0.0000   0.0000   33.851   13.258  ?   ?       ?      ? 
1 1 1   -6   24   36 o   31.606   12.872   6.1700   8.6729   6.1700   8.6729   0.0000   0.0000   31.606   12.872  ?   ?       ?      ? 
1 1 1   -6   24   37 o   31.682   12.843   6.4526   8.5878   6.4526   8.5878   0.0000   0.0000   31.682   12.843  ?   ?       ?      ? 
1 1 1   -6   24   38 o   32.237   14.300   3.6375   12.440   3.6375   12.440   0.0000   0.0000   32.237   14.300  ?   ?       ?      ? 
1 1 1   -6   24   39 o   35.593   15.124   8.9217   12.727   8.9217   12.727   0.0000   0.0000   35.593   15.124  ?   ?       ?      ? 
1 1 1   -6   24   40 o   29.360   13.499  -0.7122   12.319  -0.7122   12.319   0.0000   0.0000   29.360   13.499  ?   ?       ?      ? 
1 1 1   -6   24   41 o   34.407   14.980   7.7051   13.078   7.7051   13.078   0.0000   0.0000   34.407   14.980  ?   ?       ?      ? 
1 1 1   -6   24   42 o   49.453   17.183   27.274   14.091   27.274   14.091   0.0000   0.0000   49.453   17.183  ?   ?       ?      ? 
1 1 1   -6   25    1 o   46.658   16.335   19.572   12.745   19.572   12.745   0.0000   0.0000   46.658   16.335  ?   ?       ?      ? 
1 1 1   -6   25    2 o   29.972   13.555  -1.1044   11.779  -1.1044   11.779   0.0000   0.0000   29.972   13.555  ?   ?       ?      ? 
1 1 1   -6   25    3 o   48.049   11.615   21.242   9.6322   27.218   12.634   12.948   14.885   54.860   16.005   41.237   16.836 13.62343 23.22925 
1 1 1   -6   25    4 o   27.786   9.2206  -7.8371   8.4831 -12.2728   10.815  -0.7434   13.676   23.543   11.352   32.028   14.533 -8.484955 18.44121 
1 1 1   -6   25    5 o   34.698   9.4715   0.5083   7.3592   20.383   11.883 -11.8575   9.3730   47.752   15.788   21.643   10.468 26.10946 18.94291 
1 1 1   -6   25    6 o   30.402   9.0739   1.3727   7.2074 -11.2857   11.543   9.4615   9.2272   24.876   11.925   35.928   13.680 -11.05221 18.14789 
1 1 1   -6   25    7 o   34.376   10.142   4.8071   8.3153   12.515   11.685  -3.1022   11.836   39.824   15.338   28.928   13.275 10.89551 20.28475 
1 1 1   -6   25    8 o   34.721   10.213   5.1063   8.3872   13.077   11.885  -2.8008   11.838   40.368   15.488   29.074   13.318 11.29409 20.42663 
1 1 1   -6   25    9 o   31.704   9.7795   2.0884   8.0408   6.5413   11.466  -2.2205   11.279   34.657   14.520   28.750   13.104 5.906796 19.55908 
1 1 1   -6   25   10 o   42.930   10.451   12.622   7.2085   6.5273   8.6750   26.219   12.957   32.525   13.005   53.336   16.364 -20.81109 20.90277 
1 1 1   -6   25   11 o   49.156   10.646   21.398   7.5729   21.710   9.2212   20.753   13.272   50.828   13.251   47.483   16.667 3.345192 21.29278 
1 1 1   -6   25   12 o   41.593   8.9268   13.895   7.4016   25.586   9.1242  -8.6035   12.657   55.979   12.358   27.207   12.885 28.77189 17.85370 
1 1 1   -6   25   13 o   38.574   10.254   11.731   7.1121   11.643   8.8869   11.887   11.861   38.052   13.609   39.095   15.342 -1.042587 20.50802 
1 1 1   -6   25   14 o   36.405   10.144   8.7655   7.1241   5.9770   8.8837   13.790   11.925   32.048   13.037   40.763   15.544 -8.715809 20.28742 
1 1 1   -6   25   15 o   32.463   9.1952   4.7981   7.0231   12.412   8.9294  -7.5511   11.372   38.866   13.669   26.060   12.303 12.80561 18.39038 
1 1 1   -6   25   16 o   41.560   10.276   14.999   7.2266   17.012   9.0908   11.543   11.912   44.491   13.717   38.628   15.305 5.863743 20.55223 
1 1 1   -6   25   17 o   22.341   7.6020  -9.8435   6.5953  -7.9755   8.2889 -13.0667   10.888   21.526   10.261   23.156   11.220 -1.630060 15.20398 
1 1 1   -6   25   18 o   62.061   11.449   35.317   10.185   50.281   15.147   22.967   13.761   75.312   15.362   48.809   16.980 26.50317 22.89786 
1 1 1   -6   25   19 o   34.848   10.487   6.5314   8.6742   9.2591   12.786   4.2059   11.806   36.929   15.391   32.767   14.250 4.161491 20.97458 
1 1 1   -6   25   20 o   33.536   10.229   5.1161   8.5532   1.7149   12.814   7.8491   11.486   31.983   14.328   35.089   14.603 -3.106052 20.45811 
1 1 1   -6   25   21 o   43.769   11.047   15.212   8.8433   28.730   13.672   5.4882   11.596   54.213   16.839   33.326   14.305 20.88667 22.09475 
1 1 1   -6   25   22 f   32.090   9.7793   0.9795   8.5779 -11.9988   12.502   12.524   11.791   25.319   12.207   38.860   15.281 -13.54045 19.55864 
1 1 1   -6   25   23 o   35.749   9.8930   4.7485   8.4923 -12.3822   12.236   20.667   11.796   24.822   11.995   46.677   15.736 -21.85522 19.78590 
1 1 1   -6   25   24 o   32.645   9.9130   3.6802   8.4471  -5.9275   12.614   11.493   11.374   27.685   13.036   37.604   14.938 -9.918343 19.82609 
1 1 1   -6   25   25 o   33.483   10.209   5.1451   8.7645  -1.9270   13.052   10.953   11.828   29.830   13.780   37.137   15.067 -7.306351 20.41756 
1 1 1   -6   25   26 o   38.083   10.719   11.375   8.8549   2.9093   12.985   18.735   12.107   32.167   14.416   44.000   15.868 -11.83341 21.43853 
1 1 1   -6   25   27 o   37.427   15.737   11.086   13.549   11.086   13.549   0.0000   0.0000   37.427   15.737  ?   ?       ?      ? 
1 1 1   -6   25   28 o   40.730   16.406   15.830   13.916   15.830   13.916   0.0000   0.0000   40.730   16.406  ?   ?       ?      ? 
1 1 1   -6   25   29 o   31.526   14.367   1.7722   13.549   1.7722   13.549   0.0000   0.0000   31.526   14.367  ?   ?       ?      ? 
1 1 1   -6   25   30 o   27.834   13.086  -4.1775   12.626  -4.1775   12.626   0.0000   0.0000   27.834   13.086  ?   ?       ?      ? 
1 1 1   -6   25   31 o   47.829   17.078   25.270   13.989   25.270   13.989   0.0000   0.0000   47.829   17.078  ?   ?       ?      ? 
1 1 1   -6   26    1 o   40.805   11.298   16.399   9.1492   13.382   12.863   19.488   13.017   38.269   15.641   43.340   16.307 -5.070396 22.59538 
1 1 1   -6   26    2 o   37.022   10.786   10.876   8.9445   4.7985   12.221   17.886   13.126   32.125   14.215   41.919   16.225 -9.794579 21.57128 
1 1 1   -6   26    3 o   40.548   11.285   16.141   9.0923   14.879   12.501   17.558   13.248   39.476   15.667   41.619   16.247 -2.142143 22.57055 
1 1 1   -6   26    4 o   28.550   9.2874  -1.1512   8.3474   2.2737   11.484  -4.9874   12.154   30.086   13.515   27.013   12.743 3.072161 18.57482 
1 1 1   -6   26    5 o   36.613   10.739   11.299   8.7379   11.744   12.608   10.888   12.121   36.990   15.339   36.235   15.034 0.7551003 21.47756 
1 1 1   -6   26    6 f   31.477   9.5197  -1.7186   8.4522 -18.9474   11.725   16.922   12.196   21.695   10.737   41.259   15.723 -19.56406 19.03947 
1 1 1   -6   26    7 o   41.697   11.218   17.502   8.7707   17.568   12.466   17.436   12.342   41.739   15.899   41.654   15.831 0.8523178E-01 22.43605 
1 1 1   -6   26    8 o   31.405   9.8507   4.0993   8.3557   5.7748   11.984   2.5143   11.656   32.517   14.243   30.293   13.611 2.224121 19.70132 
1 1 1   -6   26    9 o   30.491   9.6461   3.0144   8.1689   2.7657   12.036   3.2267   11.123   30.688   13.806   30.293   13.475 0.3948936 19.29224 
1 1 1   -6   26   10 o   28.084   12.840  -0.1953   10.935   0.0000   0.0000  -0.1953   10.935  ?   ?    28.084   12.840      ?      ? 
1 1 1   -6   26   11 o   34.919   14.516   9.7616   11.332   0.0000   0.0000   9.7616   11.332  ?   ?    34.919   14.516      ?      ? 
1 1 1   -5    0    1 o  650.581   10.881  2872.26   95.771  2796.57  133.246  2953.15  137.746  641.711   15.342  659.452   15.433 -0.000000 0.000000 
1 1 1   -5    0    2 o  1084.44   17.188  7989.54  252.256  7861.49  352.923  8123.30  360.693  1075.56   24.242  1093.33   24.372 -0.000000 0.000000 
1 1 1   -5    0    3 o  1120.57   17.728  8533.44  268.890  8466.63  378.286  8601.67  382.280  1116.14   25.039  1125.01   25.103 -0.000000 0.000000 
1 1 1   -5    0    4 o  664.128   11.082  2995.19   99.604  2974.52  140.314  3016.19  141.415  661.815   15.665  666.441   15.678 -0.000000 0.000000 
1 1 1   -5    0    5 o  293.097   6.3112  583.802   25.015  583.957   35.373  583.647   35.379  293.136   8.9235  293.058   8.9273 -0.000000 0.000000 
1 1 1   -5    0    6 o  1320.65   20.735 11852.60  370.539 12149.11  532.860 11574.99  515.609  1336.63   29.451  1304.66   29.196 -0.000000 0.000000 
1 1 1   -5    0    7 o  1414.97   22.156 13618.61  424.347 13715.89  603.124 13523.25  597.157  1419.98   31.378  1409.97   31.288 -0.000000 0.000000 
1 1 1   -5    0    8 o  413.888   7.7439  1163.47   43.364  1167.50   61.495  1159.48   61.159  414.602   10.963  413.174   10.940 -0.000000 0.000000 
1 1 1   -5    0    9 o  525.202   9.1930  1871.40   65.305  1936.03   94.157  1811.49   90.653  533.945   13.030  516.460   12.971 -0.000000 0.000000 
1 1 1   -5    0   10 o  724.950   11.961  3568.98  117.352  3611.28  167.251  3527.96  164.701  729.185   16.946  720.716   16.884 -0.000000 0.000000 
1 1 1   -5    0   11 o  409.072   7.7030  1136.34   42.627  1113.62   59.764  1159.85   60.818  404.902   10.910  413.242   10.877 -0.000000 0.000000 
1 1 1   -5    0   12 o  500.475   12.545  1701.09   84.961   0.0000   0.0000  1701.09   84.961  500.475   12.545  500.475   12.545 -0.000000 0.000000 
1 1 1   -5    0   13 o  791.381   18.272  4254.48  195.720   0.0000   0.0000  4254.48  195.720  791.381   18.272  791.381   18.272 -0.000000 0.000000 
1 1 1   -5    0   14 f  815.327   13.271  4516.18  146.455  4497.85  206.656  4534.68  207.585  813.663   18.765  816.992   18.772 -0.000000 0.000000 
1 1 1   -5    0   15 o  508.581   8.9953  1756.74   61.907  1763.51   87.813  1750.05   87.289  509.556   12.735  507.607   12.708 -0.000000 0.000000 
1 1 1   -5    0   16 f  536.416   9.3733  1953.77   68.030  1990.52   97.307  1918.64   95.148  541.354   13.282  531.477   13.229 -0.000000 0.000000 
1 1 1   -5    0   17 o  414.790   7.8077  1168.71   43.815  1175.91   62.267  1161.65   61.665  416.056   11.062  413.524   11.022 -0.000000 0.000000 
1 1 1   -5    0   18 o  176.780   5.4794  213.043   13.067  209.068   18.493  217.007   18.466  175.113   7.8285  178.448   7.6686 -0.000000 0.000000 
1 1 1   -5    0   19 o  221.437   8.2154  333.713   24.576  333.713   24.576   0.0000   0.0000  221.437   8.2154  221.437   8.2154 -0.000000 0.000000 
1 1 1   -5    0   20 o  324.961   6.7897  717.716   29.840  719.726   42.266  715.718   42.136  325.416   9.6034  324.506   9.6008 -0.000000 0.000000 
1 1 1   -5    0   21 o  255.386   6.1020  443.620   21.063  444.180   29.925  443.070   29.651  255.542   8.6640  255.229   8.5949 -0.000000 0.000000 
1 1 1   -5    0   22 o  435.710   8.1061  1289.95   47.785  1273.25   67.212  1307.01   67.950  432.852   11.477  438.568   11.451 -0.000000 0.000000 
1 1 1   -5    0   23 o  488.819   8.7909  1623.91   58.147  1621.95   82.257  1625.88   82.208  488.521   12.443  489.116   12.421 -0.000000 0.000000 
1 1 1   -5    0   24 o  543.621   9.5230  2008.59   70.053  2029.64   99.711  1988.08   98.441  546.436   13.484  540.806   13.451 -0.000000 0.000000 
1 1 1   -5    0   25 o  446.489   8.2650  1354.80   49.927  1370.09   71.115  1339.93   70.110  448.976   11.706  444.001   11.671 -0.000000 0.000000 
1 1 1   -5    0   26 o  307.873   6.6795  644.447   27.804  629.318   39.134  659.868   39.510  304.207   9.5142  311.539   9.3779 -0.000000 0.000000 
1 1 1   -5    0   27 o  365.053   7.3047  905.870   36.070  903.434   51.136  908.283   50.886  364.559   10.370  365.547   10.291 -0.000000 0.000000 
1 1 1   -5    0   28 o  386.236   7.5590  1013.89   39.494  1018.94   56.155  1008.95   55.555  387.186   10.721  385.286   10.659 -0.000000 0.000000 
1 1 1   -5    0   29 o  957.207   15.405  6236.52  199.575  6172.33  280.458  6302.36  284.059  952.216   21.760  962.198   21.810 -0.000000 0.000000 
1 1 1   -5    0   30 o  997.636   22.611  6774.64  305.326   0.0000   0.0000  6774.64  305.326  997.636   22.611  997.636   22.611 -0.000000 0.000000 
1 1 1   -5    0   31 o  393.151   10.808  1050.33   57.482   0.0000   0.0000  1050.33   57.482  393.151   10.808  393.151   10.808 -0.000000 0.000000 
1 1 1   -5    0   32 o  448.087   8.3419  1364.17   50.574  1364.63   71.697  1363.71   71.349  448.160   11.824  448.014   11.770 -0.000000 0.000000 
1 1 1   -5    0   33 o  205.289   5.9853  286.998   16.583  292.055   23.741  282.180   23.174  207.059   8.4933  203.518   8.4355 -0.000000 0.000000 
1 1 1   -5    0   34 o  541.647   9.5625  1993.15   70.090  1983.85   99.119  2002.45   99.126  540.377   13.555  542.917   13.492 -0.000000 0.000000 
1 1 1   -5    0   35 o  688.321   11.560  3219.01  107.687  3183.42  151.536  3255.31  153.059  684.471   16.358  692.172   16.338 -0.000000 0.000000 
1 1 1   -5    0   36 o  1296.84   20.458 11451.99  359.126 11481.42  508.977 11422.81  506.793  1298.49   28.958  1295.18   28.907 -0.000000 0.000000 
1 1 1   -5    0   37 o  307.086   9.6916  641.121   40.240  641.121   40.240   0.0000   0.0000  307.086   9.6916  307.086   9.6916 -0.000000 0.000000 
1 1 1   -5    0   38 o  632.070   10.793  2713.60   92.314  2760.88  132.015  2668.37  129.135  637.460   15.302  626.679   15.226 -0.000000 0.000000 
1 1 1   -5    0   39 o  656.933   11.144  2930.52   99.042  2852.45  137.970  3013.53  142.262  647.899   15.735  665.967   15.784 -0.000000 0.000000 
1 1 1   -5    0   40 o  458.072   8.5460  1424.17   52.937  1475.58   76.392  1376.67   73.424  466.029   12.115  450.114   12.057 -0.000000 0.000000 
1 1 1   -5    0   41 o  314.512   6.9527  672.534   29.565  672.200   42.065  672.861   41.562  314.428   9.8945  314.596   9.7702 -0.000000 0.000000 
1 1 1   -5    0   42 o  749.705   12.464  3815.76  126.376  3671.72  174.782  3973.57  182.943  734.882   17.573  764.528   17.679 -0.000000 0.000000 
1 1 1   -5    0   43 f  695.416   11.711  3287.56  110.216  3260.04  155.453  3315.39  156.287  692.481   16.587  698.352   16.535 -0.000000 0.000000 
1 1 1   -5    0   44 o  973.951   15.712  6457.56  207.121  6414.52  292.033  6501.12  293.802  970.679   22.227  977.223   22.212 -0.000000 0.000000 
1 1 1   -5    0   45 o  910.853   14.796  5647.22  182.414  5623.25  257.706  5671.28  258.239  908.908   20.948  912.797   20.902 -0.000000 0.000000 
1 1 1   -5    0   46 o  507.388   9.2300  1747.37   63.320  1664.14   87.709  1837.96   91.506  494.757   13.103  520.018   13.004 -0.000000 0.000000 
1 1 1   -5    0   47 o  923.465   15.002  5803.77  187.436  5951.42  270.057  5666.53  260.359  934.779   21.344  912.152   21.089 -0.000000 0.000000 
1 1 1   -5    0   48 o  519.187   13.205  1832.75   92.768   0.0000   0.0000  1832.75   92.768  519.187   13.205  519.187   13.205 -0.000000 0.000000 
1 1 1   -5    0   49 o  407.939   8.0398  1131.64   44.363  1128.97   63.146  1134.25   62.338  407.451   11.457  408.427   11.282 -0.000000 0.000000 
1 1 1   -5    0   50 o  525.821   9.4803  1878.29   67.405  1944.20   97.611  1818.20   93.192  534.632   13.492  517.010   13.321 -0.000000 0.000000 
1 1 1   -5    0   51 o  501.238   9.1843  1709.14   62.285  1711.95   88.621  1706.40   87.559  501.634   13.057  500.841   12.920 -0.000000 0.000000 
1 1 1   -5    0   52 o  523.564   9.4778  1862.48   67.088  1938.25   97.359  1793.98   92.576  533.694   13.481  513.435   13.326 -0.000000 0.000000 
1 1 1   -5    0   53 o  401.519   11.414  1097.07   61.992  1097.07   61.992   0.0000   0.0000  401.519   11.414  401.519   11.414 -0.000000 0.000000 
1 1 1   -5    0   54 o  297.399   10.004  602.271   40.213  602.271   40.213   0.0000   0.0000  297.399   10.004  297.399   10.004 -0.000000 0.000000 
1 1 1   -5    0   55 o  256.343   6.6999  448.039   23.184  430.127   32.880  465.750   32.696  251.191   9.6922  261.496   9.2529 -0.000000 0.000000 
1 1 1   -5    0   56 o  322.207   7.2331  705.509   31.475  738.206   45.847  676.360   43.288  329.264   10.298  315.150   10.160 -0.000000 0.000000 
1 1 1   -5    0   57 o  321.815   7.2456  705.457   31.518  699.631   44.953  711.091   44.204  320.484   10.375  323.147   10.117 -0.000000 0.000000 
1 1 1   -5    0   58 o   71.865   14.121   38.905   12.238   0.0000   0.0000   38.905   12.238   71.865   14.121   71.865   14.121 -0.000000 0.000000 
1 1 1   -5    0   60 o  341.025   10.670  792.540   49.201  792.540   49.201   0.0000   0.0000  341.025   10.670  341.025   10.670 -0.000000 0.000000 
1 1 1   -5    0   61 o  157.538   6.6893  169.350   14.115  188.382   20.858  153.269   19.173  165.765   9.3534  149.311   9.5657 -0.000000 0.000000 
1 1 1   -5    0   62 o  376.570   7.8539  966.498   39.988  973.429   57.345  959.937   55.789  377.864   11.221  375.276   10.992 -0.000000 0.000000 
1 1 1   -5    0   63 o  451.278   12.220  1389.08   74.606   0.0000   0.0000  1389.08   74.606  451.278   12.220  451.278   12.220 -0.000000 0.000000 
1 1 1   -5    0   64 o  255.628   9.5970  445.919   33.138   0.0000   0.0000  445.919   33.138  255.628   9.5970  255.628   9.5970 -0.000000 0.000000 
1 1 1   -5    0   65 o  260.592   6.9089  463.573   24.313  461.604   34.767  465.458   34.012  260.023   9.8994  261.161   9.6402 -0.000000 0.000000 
1 1 1   -5    0   66 o  383.754   7.9855  1004.34   41.428  1023.60   59.669  986.406   57.564  387.291   11.392  380.218   11.194 -0.000000 0.000000 
1 1 1   -5    0   67 o  268.133   7.0380  491.122   25.483  479.744   36.230  502.264   35.850  265.010   10.122  271.256   9.7815 -0.000000 0.000000 
1 1 1   -5    0   68 o  446.389   8.7149  1360.39   52.608  1392.74   75.650  1330.08   73.209  451.520   12.385  441.259   12.264 -0.000000 0.000000 
1 1 1   -5    0   69 o  162.350   10.267  181.483   22.381  181.483   22.381   0.0000   0.0000  162.350   10.267  162.350   10.267 -0.000000 0.000000 
1 1 1   -5    0   70 o  241.128   6.9436  396.611   22.576  422.151   32.816  373.663   31.107  248.526   9.7783  233.730   9.8610 -0.000000 0.000000 
1 1 1   -5    0   71 o  246.521   6.9713  415.525   23.196  416.545   33.278  414.562   32.349  246.787   9.9879  246.255   9.7282 -0.000000 0.000000 
1 1 1   -5    0   72 o  123.335   7.6123  105.729   12.484  110.825   18.215  101.213   17.145  126.172   10.837  120.499   10.693 -0.000000 0.000000 
1 1 1   -5    0   73 o   70.301   12.193   39.373   10.069   51.643   14.926   29.129   13.639   83.407   14.525   57.194   19.588 -0.000000 0.000000 
1 1 1   -5    0   74 o  162.472   7.1147  180.821   15.443  208.049   22.755  157.569   21.028  173.961   9.7219  150.983   10.390 -0.000000 0.000000 
1 1 1   -5    0   75 o  192.461   6.9379  253.109   17.932  281.112   26.387  229.076   24.444  202.414   9.6701  182.507   9.9512 -0.000000 0.000000 
1 1 1   -5    0   76 o   83.905   11.178   53.932   10.556   78.329   15.649   33.561   14.300  105.307   11.294   62.504   19.292 -0.000000 0.000000 
1 1 1   -5    0   77 o  162.703   7.0556  182.281   15.400  191.789   22.523  173.932   21.105  166.698   10.054  158.708   9.9014 -0.000000 0.000000 
1 1 1   -5    0   78 o  217.467   9.7039  324.949   28.467   0.0000   0.0000  324.949   28.467  217.467   9.7039  217.467   9.7039 -0.000000 0.000000 
1 1 1   -5    0   79 o   52.147   13.866   25.396   9.6939   33.764   14.080   17.856   13.366   62.730   18.985   41.564   20.215 -0.000000 0.000000 
1 1 1   -5    0   80 o   71.950   11.755   42.049   9.8379   29.689   13.790   54.859   14.039   57.272   19.738   86.629   12.774 -0.000000 0.000000 
1 1 1   -5    0   81 o   30.257   11.324   1.4002   8.2843   19.303   11.985 -14.9795   11.464   43.762   19.274   16.752   11.894 -0.000000 0.000000 
1 1 1   -5    0   82 o   98.435   9.2816   71.507   11.405   81.415   15.672   60.352   16.629  107.085   11.071   89.786   14.901 -0.000000 0.000000 
1 1 1   -5    0   83 o   68.734   17.447   38.710   14.051   38.710   14.051   0.0000   0.0000   68.734   17.447   68.734   17.447 -0.000000 0.000000 
1 1 1   -5    0   84 o   89.410   9.3979   59.415   10.482   66.055   14.691   52.528   14.962   95.561   11.832   83.259   14.604 -0.000000 0.000000 
1 1 1   -5    0   85 o   67.183   12.073   37.220   9.5109   32.821   13.186   41.989   13.731   61.574   18.178   72.792   15.892 -0.000000 0.000000 
1 1 1   -5    0   86 o   29.560   12.004   7.3381   8.1179   12.845   11.343   1.5562   11.623   34.720   18.232   24.401   15.622 -0.000000 0.000000 
1 1 1   -5    0   87 o   97.832   8.6951   70.033   10.983   64.317   15.369   75.998   15.700   93.261   12.857  102.403   11.709 -0.000000 0.000000 
1 1 1   -5    0   88 o   35.841   12.844   12.928   8.5048   20.408   12.154   5.7514   11.905   44.118   19.409   27.564   16.827 -0.000000 0.000000 
1 1 1   -5    0   89 o  128.766   7.5928  118.182   13.020  126.264   18.766  110.680   18.079  133.199   10.548  124.334   10.924 -0.000000 0.000000 
1 1 1   -5    0   90 o  104.484   11.324   79.363   15.556   0.0000   0.0000   79.363   15.556  104.484   11.324  104.484   11.324 -0.000000 0.000000 
1 1 1   -5    0   91 o   61.891   17.353   33.342   12.596   0.0000   0.0000   33.342   12.596   61.891   17.353   61.891   17.353 -0.000000 0.000000 
1 1 1   -5    0   92 o   23.609   14.985   2.5587   10.417   0.0000   0.0000   2.5587   10.417   23.609   14.985   23.609   14.985 -0.000000 0.000000 
1 1 1   -5    0   93 o   41.997   19.180   19.347   11.877   0.0000   0.0000   19.347   11.877   41.997   19.180   41.997   19.180 -0.000000 0.000000 
1 1 1   -5    1    1 o  680.975   9.8397  3195.62   86.590  2971.40  143.606  3323.71  108.541  661.797   16.013  700.152   11.440 -38.35492 19.67935 
1 1 1   -5    1    2 o  967.189   15.412  6345.87  202.002  6345.87  202.002   0.0000   0.0000  967.189   15.412  ?   ?       ?      ? 
1 1 1   -5    1    3 o  948.442   10.725  6101.83  137.846  6067.09  194.293  6137.04  195.600  945.724   15.160  951.159   15.175 -5.435486 21.45046 
1 1 1   -5    1    4 o  732.434   8.5072  3637.39   84.436  3660.05  119.834  3615.05  118.993  734.698   12.036  730.169   12.026 4.529480 17.01435 
1 1 1   -5    1    5 f  639.536   7.5763  2772.83   65.660  2787.64   93.158  2758.21   92.558  641.233   10.721  637.840   10.708 3.393555 15.15258 
1 1 1   -5    1    6 o  723.309   8.4092  3547.15   82.422  3578.78  117.212  3516.20  115.923  726.498   11.906  720.120   11.879 6.378906 16.81838 
1 1 1   -5    1    7 o  811.043   9.3079  4460.64  102.297  4498.99  145.434  4423.09  143.916  814.492   13.176  807.594   13.150 6.898193 18.61578 
1 1 1   -5    1    8 o  963.385   10.891  6296.35  142.181  6284.75  200.844  6307.99  201.305  962.496   15.398  964.273   15.405 -1.777100 21.78155 
1 1 1   -5    1    9 o  1084.37   12.139  7977.36  178.350  8110.96  255.052  7849.53  249.488  1093.24   17.216  1075.49   17.118 17.75305 24.27806 
1 1 1   -5    1   10 o  1354.03   14.997 12451.21  275.148 12299.43  385.921 12608.13  392.395  1345.65   21.163  1362.42   21.254 -16.76782 29.99332 
1 1 1   -5    1   11 o  1035.01   14.241  7203.38  186.928  7075.50  226.381  7477.42  331.390  1021.11   16.360  1048.90   23.314 -27.78442 28.48173 
1 1 1   -5    1   12 o  610.475   10.337  2528.30   85.512  2532.32  121.265  2524.34  120.602  610.955   14.647  609.995   14.590 0.9603271 20.67330 
1 1 1   -5    1   13 o  1115.38   15.300  8480.13  218.559  8371.33  375.386  8535.92  268.821  1109.43   24.969  1121.33   17.691 -11.90967 30.60069 
1 1 1   -5    1   14 o  655.810   7.7794  2915.45   69.125  2863.24   96.706  2970.00   98.844  649.809   10.982  661.811   11.021 -12.00134 15.55875 
1 1 1   -5    1   15 o  1147.20   12.813  8936.29  199.185  8854.12  279.977  9020.50  283.435  1141.86   18.094  1152.54   18.147 -10.67065 25.62634 
1 1 1   -5    1   16 o  1752.93   19.286 20932.62  458.125 20994.95  649.263 20870.81  646.521  1755.53   27.292  1750.34   27.257 5.185425 38.57170 
1 1 1   -5    1   17 o  1334.52   14.802 12108.58  267.685 12076.02  377.863 12141.38  379.267  1332.72   20.923  1336.31   20.944 -3.596680 29.60390 
1 1 1   -5    1   18 o  799.958   13.058  4348.29  141.551  4390.81  201.204  4306.62  199.179  803.829   18.471  796.086   18.463 7.742737 26.11626 
1 1 1   -5    1   19 o  1013.35   16.200  6984.26  222.316  7239.12  321.629  6751.08  307.643  1031.01   23.020  995.698   22.800 35.31213 32.40023 
1 1 1   -5    1   20 o  801.575   9.2450  4361.24  100.419  4401.03  142.846  4322.36  141.195  805.188   13.091  797.963   13.057 7.224792 18.48998 
1 1 1   -5    1   21 o  628.865   7.5197  2683.27   64.083  2685.77   90.690  2680.77   90.564  629.158   10.637  628.572   10.632 0.5856323 15.03943 
1 1 1   -5    1   22 o  510.962   6.3971  1770.95   44.295  1772.55   62.681  1769.36   62.603  511.192   9.0483  510.732   9.0453 0.4598083 12.79411 
1 1 1   -5    1   23 o  541.940   6.6914  1992.51   49.141  2006.81   69.764  1978.43   69.230  543.869   9.4658  540.010   9.4604 3.858521 13.38283 
1 1 1   -5    1   24 o  193.977   4.0068  255.042   10.531  250.195   14.806  260.004   14.983  192.112   5.6874  195.843   5.6454 -3.730576 8.013565 
1 1 1   -5    1   25 o  251.985   4.3244  430.456   14.766  426.482   20.783  434.506   20.983  250.810   6.1148  253.159   6.1165 -2.348618 8.648824 
1 1 1   -5    1   26 o  481.223   6.1456  1570.94   40.077  1567.33   56.597  1574.56   56.758  480.670   8.6888  481.777   8.6936 -1.106903 12.29126 
1 1 1   -5    1   27 o  359.828   5.1116  877.976   24.925  879.691   35.280  876.267   35.218  360.178   7.2282  359.477   7.2296 0.7016907 10.22326 
1 1 1   -5    1   28 o  542.126   6.7172  1993.81   49.347  1979.75   69.491  2008.11   70.088  540.199   9.4927  544.053   9.5064 -3.854492 13.43444 
1 1 1   -5    1   29 o  353.767   5.0802  848.534   24.355  845.114   34.353  851.989   34.533  353.051   7.1803  354.484   7.1888 -1.432861 10.16049 
1 1 1   -5    1   30 o  377.397   6.4406  955.328   30.920  996.672   54.566  935.773   37.527  383.286   10.505  371.509   7.4540 11.77679 12.88125 
1 1 1   -5    1   31 o  426.216   6.9681  1242.29   38.183  1265.17   47.298  1199.48   64.699  431.967   8.0800  420.466   11.355 11.50143 13.93629 
1 1 1   -5    1   32 o  428.219   5.7179  1243.18   33.180  1234.36   46.729  1252.15   47.120  426.688   8.0815  429.751   8.0911 -3.063446 11.43578 
1 1 1   -5    1   33 o  589.491   7.1899  2356.56   57.434  2339.52   80.815  2373.95   81.638  587.339   10.154  591.643   10.182 -4.304382 14.37978 
1 1 1   -5    1   34 o  618.719   7.4798  2596.07   62.711  2574.30   88.135  2618.40   89.249  616.093   10.556  621.345   10.600 -5.252197 14.95962 
1 1 1   -5    1   35 o  630.479   7.5995  2695.98   64.929  2703.57   91.867  2688.40   91.780  631.367   10.737  629.592   10.757 1.774841 15.19906 
1 1 1   -5    1   36 o  663.998   9.7159  2979.26   82.069  2955.21   99.900  3029.19  143.931  660.072   11.168  667.925   15.902 -7.853088 19.43185 
1 1 1   -5    1   37 o  538.779   9.5454  1967.43   69.649  2050.47  100.587  1890.95   96.535  549.685   13.504  527.872   13.495 21.81323 19.09089 
1 1 1   -5    1   38 o  563.122   8.5374  2157.41   61.539  2132.82  105.866  2169.95   75.628  560.573   13.936  565.671   9.8659 -5.097839 17.07481 
1 1 1   -5    1   39 o  541.664   6.7667  1989.30   49.665  2019.26   70.784  1960.24   69.702  545.680   9.5723  537.647   9.5667 8.032776 13.53333 
1 1 1   -5    1   40 o  607.509   7.3947  2503.27   60.877  2518.21   86.344  2488.50   85.844  609.312   10.457  605.706   10.458 3.605286 14.78948 
1 1 1   -5    1   41 o  626.379   7.5774  2661.12   64.313  2623.36   90.203  2700.16   91.720  621.861   10.704  630.897   10.728 -9.035339 15.15474 
1 1 1   -5    1   42 o  587.521   7.2106  2340.91   57.401  2383.53   81.999  2299.95   80.379  592.763   10.208  582.279   10.187 10.48383 14.42129 
1 1 1   -5    1   43 o  527.374   6.6606  1886.39   47.600  1872.29   67.006  1900.75   67.631  525.386   9.4113  529.362   9.4278 -3.976257 13.32129 
1 1 1   -5    1   44 o  519.534   6.5979  1829.90   46.438  1785.29   64.738  1877.19   66.652  513.016   9.3120  526.052   9.3497 -13.03577 13.19588 
1 1 1   -5    1   45 o  576.922   7.1289  2256.63   55.712  2327.46   80.132  2190.36   77.512  585.676   10.096  568.167   10.067 17.50879 14.25777 
1 1 1   -5    1   46 o  695.525   8.2729  3284.11   77.970  3317.63  110.928  3251.37  109.617  699.031   11.710  692.018   11.689 7.013000 16.54574 
1 1 1   -5    1   47 o  517.780   8.0597  1801.34   53.069  1875.15   93.651  1766.43   64.409  525.330   13.155  510.230   9.3153 15.10001 16.11937 
1 1 1   -5    1   48 o  320.345   6.1083  697.411   25.098  699.857   30.892  692.661   43.049  321.242   7.0963  319.448   9.9444 1.794434 12.21670 
1 1 1   -5    1   49 o  478.206   7.6562  1565.13   47.040  1591.99   58.215  1514.59   79.849  484.346   8.8695  472.066   12.482 12.28082 15.31230 
1 1 1   -5    1   50 o  396.372   5.5900  1065.87   30.024  1054.41   42.170  1077.65   42.756  394.212   7.8939  398.532   7.9169 -4.320038 11.17993 
1 1 1   -5    1   51 o  541.753   6.8482  1992.44   50.266  1953.40   70.266  2033.36   71.939  536.322   9.6679  547.185   9.7017 -10.86267 13.69640 
1 1 1   -5    1   52 o  475.921   6.2920  1535.62   40.547  1477.57   56.002  1599.58   58.784  466.486   8.8589  485.355   8.9375 -18.86902 12.58407 
1 1 1   -5    1   53 o  103.965   6.5599   72.433   8.4584   71.013   10.053   75.875   15.651  102.295   7.2520  105.634   10.933 -3.338966 13.11971 
1 1 1   -5    1   54 o  217.776   6.3837  322.476   18.818  305.405   26.657  339.433   26.567  212.010   9.2785  223.542   8.7701 -11.53246 12.76736 
1 1 1   -5    1   55 o  322.276   6.2716  709.427   25.887  694.137   44.354  717.326   31.881  319.479   10.245  325.073   7.2371 -5.593567 12.54325 
1 1 1   -5    1   56 o  307.305   5.0109  641.100   20.867  641.025   29.601  641.174   29.421  307.285   7.1086  307.325   7.0644 -0.3936768E-01 10.02184 
1 1 1   -5    1   57 o  250.432   4.6982  425.684   15.943  420.326   22.447  431.140   22.649  248.841   6.6567  252.023   6.6317 -3.182388 9.396349 
1 1 1   -5    1   58 o  321.104   5.0990  700.216   22.187  692.204   31.315  708.292   31.439  319.257   7.2382  322.951   7.1838 -3.694427 10.19800 
1 1 1   -5    1   59 o  246.921   4.7277  413.911   15.817  404.017   22.222  424.070   22.518  243.928   6.7227  249.914   6.6489 -5.985840 9.455332 
1 1 1   -5    1   60 o  275.252   4.8772  514.541   18.191  522.182   25.841  507.035   25.612  277.280   6.8773  273.225   6.9175 4.054840 9.754393 
1 1 1   -5    1   61 o  431.612   5.9552  1267.03   34.831  1271.09   49.278  1262.99   49.240  432.303   8.4116  430.920   8.4322 1.383667 11.91039 
1 1 1   -5    1   62 o  504.609   6.6237  1731.92   45.267  1659.36   62.851  1810.14   65.251  493.632   9.3956  515.587   9.3390 -21.95575 13.24743 
1 1 1   -5    1   63 o  100.588   6.5973   68.164   8.7054   71.880   14.395   66.021   10.931  102.665   10.347   98.511   8.1880 4.154427 13.19464 
1 1 1   -5    1   64 o  290.536   7.0749  573.778   27.855  573.778   27.855   0.0000   0.0000  290.536   7.0749  ?   ?       ?      ? 
1 1 1   -5    1   65 o  270.954   4.9511  499.190   18.173  503.400   25.437  494.802   25.973  272.134   6.8977  269.773   7.1045 2.360382 9.902153 
1 1 1   -5    1   66 o  242.195   4.8135  398.507   15.790  380.253   22.052  417.713   22.619  236.499   6.8806  247.892   6.7334 -11.39313 9.627099 
1 1 1   -5    1   67 o  272.848   4.9692  506.289   18.374  507.503   25.991  505.077   25.977  273.175   7.0210  272.520   7.0342 0.6553650 9.938495 
1 1 1   -5    1   68 o  289.809   6.2816  580.905   23.201  598.153   28.583  547.587   39.727  296.529   7.1130  283.090   10.356 13.43860 12.56313 
1 1 1   -5    1   69 f  184.930   5.9416  226.040   14.007  253.642   24.993  213.402   16.912  192.753   9.5684  177.107   7.0467 15.64575 11.88316 
1 1 1   -5    1   70 o  264.745   6.1085  479.219   20.664  474.186   35.661  481.763   25.355  263.409   9.9903  266.081   7.0319 -2.671295 12.21691 
1 1 1   -5    1   71 o  192.420   4.8079  251.990   12.533  259.508   17.722  244.470   17.726  195.304   6.6960  189.537   6.9012 5.767197 9.615720 
1 1 1   -5    1   72 o   51.766   9.0284   19.217   6.3488   22.861   8.9403   15.510   9.0172   56.646   12.019   46.886   13.476 9.760323 18.05672 
1 1 1   -5    1   73 o  175.984   4.8305  210.848   11.519  206.830   16.194  214.963   16.388  174.284   6.8566  177.684   6.8062 -3.399963 9.661092 
1 1 1   -5    1   74 o  217.016   4.8476  320.727   14.254  313.977   19.958  327.754   20.364  214.686   6.8600  219.347   6.8510 -4.661102 9.695178 
1 1 1   -5    1   75 o  227.476   4.8915  352.702   15.068  371.060   21.462  334.858   21.159  233.338   6.7873  221.613   7.0456 11.72433 9.783015 
1 1 1   -5    1   76 o   51.572   9.3137   19.140   6.5353   18.084   9.1476   20.240   9.3400   50.151   13.258   52.994   13.084 -2.843128 18.62746 
1 1 1   -5    1   77 o   62.932   9.6040   31.758   8.0485   14.909   13.188   41.757   10.160   47.927   16.626   77.938   9.6196 -30.01136 19.20799 
1 1 1   -5    1   78 f  261.022   5.0541  465.628   17.874  457.939   24.957  473.725   25.610  258.821   7.1156  263.224   7.1795 -4.402283 10.10827 
1 1 1   -5    1   79 f  135.799   6.1588  118.956   10.753  103.812   12.972  152.215   19.225  123.046   7.7796  148.551   9.5498 -25.50522 12.31751 
1 1 1   -5    1   80 f   51.508   9.1365   19.362   6.3681   20.059   8.8812   18.624   9.1359   52.480   12.639   50.536   13.197 1.943539 18.27309 
1 1 1   -5    1   81 o   81.802   6.3909   46.133   7.0663   41.739   9.7409   51.014   10.266   77.662   9.2556   85.942   8.8151 -8.279961 12.78174 
1 1 1   -5    1   82 o   90.307   7.3296   55.047   8.5190   51.241   10.372   62.938   14.934   86.014   8.8985   94.599   11.649 -8.584274 14.65911 
1 1 1   -5    1   83 o   66.473   9.3420   34.212   7.7732   25.722   13.092   38.835   9.6604   58.302   16.059   74.643   9.5504 -16.34095 18.68392 
1 1 1   -5    1   84 o   68.112   7.7986   33.287   6.9359   40.324   10.001   26.766   9.6272   75.890   9.7248   60.334   12.194 15.55578 15.59717 
1 1 1   -5    1   85 o  140.578   5.0687  136.565   9.6538  132.727   13.521  140.556   13.788  138.551   7.2017  142.605   7.1346 -4.054230 10.13740 
1 1 1   -5    1   86 o   86.194   6.2091   51.877   7.1953   43.572   9.8856   61.233   10.493   78.720   9.2670   93.668   8.2664 -14.94828 12.41814 
1 1 1   -5    1   87 o   40.812   8.9994   11.531   5.8438   5.7963   8.0220   18.016   8.5302   32.858   12.693   48.766   12.761 -15.90797 17.99877 
1 1 1   -5    1   88 o   89.544   5.8730   56.343   7.1258   55.647   9.9938   57.062   10.163   88.989   8.2873   90.099   8.3240 -1.110397 11.74596 
1 1 1   -5    1   89 o   72.719   8.3156   36.077   7.7099   52.286   13.341   27.948   9.4473   84.531   11.646   60.907   11.873 23.62359 16.63125 
1 1 1   -5    1   90 o   97.287   7.0083   68.510   8.6897   66.846   14.917   69.365   10.691   95.369   11.542   99.206   7.9524 -3.836555 14.01651 
1 1 1   -5    1   91 o   83.505   8.6407   52.028   9.7760   53.422   13.922   50.672   13.731   84.662   12.134   82.349   12.304 2.313171 17.28130 
1 1 1   -5    1   92 o   32.143   9.7969   1.9037   7.7570   2.4627   10.949   1.3404   10.991   32.519   13.928   31.768   13.782 0.7516975 19.59385 
1 1 1   -5    1   93 o   60.685   10.976   30.554   9.1545   36.110   13.046   25.165   12.849   66.685   14.821   54.685   16.193 12.00030 21.95160 
1 1 1   -5    1   94 o   41.830   15.568   13.082   11.800   13.082   11.800   0.0000   0.0000   41.830   15.568  ?   ?       ?      ? 
1 1 1   -5    2    1 o  573.737   8.5296  2247.29   62.710  2185.05  107.182  2279.69   77.326  567.580   13.935  579.893   9.8400 -12.31305 17.05917 
1 1 1   -5    2    2 o  1076.89   12.061  7868.12  175.987  7757.39  246.536  7983.18  251.298  1069.17   17.016  1084.61   17.098 -15.44043 24.12187 
1 1 1   -5    2    3 o  1058.26   13.693  7538.49  169.112  7476.58  194.371  7731.34  343.050  1049.93   13.661  1066.59   23.734 -16.66394 27.38522 
1 1 1   -5    2    4 o  592.458   7.1237  2379.59   57.194  2374.46   80.740  2384.76   81.029  591.817   10.067  593.099   10.082 -1.281372 14.24749 
1 1 1   -5    2    5 o  674.952   7.9318  3088.55   72.545  3118.50  103.230  3059.34  101.970  678.183   11.232  671.721   11.202 6.462280 15.86363 
1 1 1   -5    2    6 o  921.999   10.450  5759.09  130.469  5563.87  180.362  5973.37  188.958  905.637   14.696  938.361   14.860 -32.72369 20.89967 
1 1 1   -5    2    7 f  749.901   10.608  3793.81  101.315  3753.55  123.385  3877.15  177.516  743.984   12.238  755.817   17.332 -11.83356 21.21687 
1 1 1   -5    2    8 o  908.977   12.613  5487.05  144.190  5293.82  172.664  5932.31  262.107  883.390   14.423  934.564   20.696 -51.17401 25.22617 
1 1 1   -5    2    9 o  1315.45   17.855 11627.00  297.104 11382.64  358.731 12160.66  530.143  1294.55   20.449  1336.36   29.274 -41.81201 35.70911 
1 1 1   -5    2   10 o  1173.37   13.082  9347.04  208.000  9268.60  292.435  9427.36  295.910  1168.39   18.470  1178.34   18.531 -9.956177 26.16363 
1 1 1   -5    2   11 o  606.268   8.9417  2509.13   69.493  2442.49  118.719  2543.87   85.712  600.005   14.601  612.531   10.326 -12.52643 17.88332 
1 1 1   -5    2   12 o  732.290   10.454  3640.25   97.761  3633.35  169.365  3643.70  119.719  731.598   17.083  732.982   12.053 -1.384033 20.90704 
1 1 1   -5    2   13 o  1134.63   12.675  8741.78  194.895  8757.93  275.961  8725.71  275.287  1135.68   17.931  1133.58   17.920 2.089478 25.35100 
1 1 1   -5    2   14 o  1012.42   11.402  6957.87  156.435  6930.66  220.626  6985.38  221.843  1010.43   16.113  1014.41   16.138 -3.978088 22.80461 
1 1 1   -5    2   15 o  1026.63   11.547  7155.80  160.646  7170.20  227.486  7141.48  226.892  1027.66   16.335  1025.60   16.325 2.058594 23.09433 
1 1 1   -5    2   16 o  929.699   10.551  5865.92  132.910  5783.58  186.190  5951.47  189.786  923.053   14.885  936.346   14.957 -13.29291 21.10154 
1 1 1   -5    2   17 o  652.972   9.5018  2912.72   79.741  2832.73  135.459  2955.14   98.645  645.894   15.476  660.049   11.028 -14.15546 19.00368 
1 1 1   -5    2   18 o  402.000   7.6693  1096.28   41.775  1096.83   58.666  1095.71   59.501  402.107   10.766  401.894   10.925 0.2130737 15.33853 
1 1 1   -5    2   19 o  307.209   4.6549  639.736   19.378  632.290   27.285  647.314   27.526  305.405   6.5926  309.013   6.5733 -3.607574 9.309719 
1 1 1   -5    2   20 o  382.665   5.2582  992.773   27.266  981.323   38.367  1004.46   38.756  380.436   7.4421  384.894   7.4304 -4.458282 10.51644 
1 1 1   -5    2   21 f  391.402   5.3358  1038.67   28.299  1025.41   39.762  1052.29   40.285  388.870   7.5454  393.933   7.5464 -5.063751 10.67151 
1 1 1   -5    2   22 o  196.237   4.0041  261.024   10.647  257.417   14.987  264.701   15.129  194.868   5.6753  197.606   5.6499 -2.738388 8.008135 
1 1 1   -5    2   23 o  164.851   3.9206  184.187   8.7574  180.216   12.296  188.274   12.476  163.048   5.5650  166.654   5.5241 -3.605820 7.841225 
1 1 1   -5    2   24 o  619.740   7.4501  2606.94   62.568  2600.83   88.321  2613.09   88.650  619.013   10.529  620.467   10.543 -1.454712 14.90026 
1 1 1   -5    2   25 o  645.677   7.7057  2829.95   67.422  2812.72   94.981  2847.45   95.722  643.698   10.889  647.657   10.906 -3.958862 15.41141 
1 1 1   -5    2   26 o  394.170   7.6242  1053.66   40.725  1053.66   40.725   0.0000   0.0000  394.170   7.6242  ?   ?       ?      ? 
1 1 1   -5    2   27 o  619.980   7.4613  2608.47   62.686  2623.27   88.912  2593.83   88.393  621.729   10.553  618.230   10.551 3.498535 14.92257 
1 1 1   -5    2   28 o  933.965   10.633  5922.88  134.517  5764.69  186.834  6093.14  193.830  921.040   14.969  946.890   15.106 -25.84979 21.26624 
1 1 1   -5    2   29 o  699.154   10.107  3292.83   89.756  3397.98  158.428  3243.13  108.922  707.020   16.536  691.287   11.627 15.73267 20.21426 
1 1 1   -5    2   30 f  808.604   11.434  4437.22  118.107  4426.64  144.561  4458.44  204.826  807.530   13.210  809.678   18.668 -2.148193 22.86900 
1 1 1   -5    2   31 o  713.808   10.264  3460.12   93.702  3461.65  114.906  3457.09  161.892  714.283   11.871  713.333   16.748 0.9502563 20.52803 
1 1 1   -5    2   32 o  563.345   6.9400  2152.13   52.980  2166.00   75.123  2138.40   74.729  565.151   9.8090  561.538   9.8204 3.613342 13.88009 
1 1 1   -5    2   33 o  730.666   8.5715  3621.28   84.863  3675.39  121.000  3568.90  119.051  736.036   12.131  725.296   12.113 10.73926 17.14292 
1 1 1   -5    2   34 o  515.143   6.5140  1799.37   45.473  1800.58   64.168  1798.15   64.450  515.318   9.1888  514.968   9.2354 0.3498535 13.02796 
1 1 1   -5    2   35 o  118.945   5.4016   95.457   8.0858   94.702   9.7479   97.122   14.477  118.205   6.0855  119.684   8.9261 -1.478897 10.80315 
1 1 1   -5    2   36 o  459.359   7.4350  1445.87   43.729  1477.64   53.985  1385.24   74.570  466.847   8.5333  451.871   12.178 14.97644 14.86997 
1 1 1   -5    2   37 o  662.693   9.6872  2977.69   82.031  2988.70  142.148  2972.20  100.444  663.433   15.811  661.954   11.197 1.478271 19.37448 
1 1 1   -5    2   38 o  604.990   9.0253  2487.53   69.895  2471.60  120.383  2495.63   85.847  603.381   14.723  606.599   10.443 -3.217773 18.05062 
1 1 1   -5    2   39 f  692.008   8.2126  3248.79   77.014  3264.59  109.149  3233.12  108.681  693.684   11.611  690.332   11.617 3.351990 16.42511 
1 1 1   -5    2   40 o  676.766   8.0633  3106.88   73.942  3150.46  105.423  3064.68  103.738  681.436   11.416  672.097   11.390 9.339172 16.12653 
1 1 1   -5    2   41 o  726.347   8.5723  3580.37   84.376  3570.50  119.040  3590.33  119.613  725.343   12.111  727.351   12.135 -2.008179 17.14450 
1 1 1   -5    2   42 o  529.817   6.6845  1903.92   47.992  1915.12   68.033  1892.82   67.710  531.369   9.4480  528.265   9.4585 3.104492 13.36893 
1 1 1   -5    2   43 o  804.973   9.3681  4400.18  102.190  4391.01  144.130  4409.45  144.911  804.132   13.226  805.813   13.270 -1.680969 18.73613 
1 1 1   -5    2   44 o  546.345   6.8523  2023.69   50.715  2086.56   72.829  1964.49   70.664  554.579   9.6908  538.112   9.6905 16.46661 13.70466 
1 1 1   -5    2   45 o  513.819   6.5674  1791.03   45.728  1789.48   64.476  1792.61   64.863  513.596   9.2639  514.042   9.3114 -0.4463501 13.13478 
1 1 1   -5    2   46 o  602.165   9.0327  2457.82   69.486  2478.92  120.599  2447.34   85.015  603.844   14.738  600.486   10.447 3.357178 18.06534 
1 1 1   -5    2   47 o  349.834   5.2254  829.920   24.771  842.912   35.211  817.190   34.854  352.545   7.3702  347.122   7.4094 5.422363 10.45078 
1 1 1   -5    2   48 o  344.319   6.3308  810.534   27.970  823.703   34.557  785.516   47.630  348.490   7.3174  340.147   10.333 8.343597 12.66165 
1 1 1   -5    2   49 o  317.725   6.1783  700.924   25.277  740.766   31.715  631.555   41.848  330.474   7.0819  304.977   10.126 25.49759 12.35657 
1 1 1   -5    2   50 o  392.725   7.8505  1046.22   41.740  988.703   57.772  1109.04   60.374  381.445   11.176  404.006   11.028 -22.56122 15.70092 
1 1 1   -5    2   51 o  172.736   5.5263  198.250   12.270  215.689   21.398  189.706   14.977  178.239   8.8590  167.233   6.6088 11.00604 11.05252 
1 1 1   -5    2   52 o   95.511   7.0462   66.300   8.1727   73.263   9.9246   51.630   14.405  103.911   7.0480   87.110   12.203 16.80128 14.09235 
1 1 1   -5    2   53 o  493.690   6.4295  1655.26   43.009  1688.54   61.342  1623.07   60.320  498.572   9.0792  488.807   9.1062 9.764832 12.85903 
1 1 1   -5    2   54 o  365.391   6.6090  908.222   30.892  904.431   53.298  910.140   37.909  364.638   10.786  366.143   7.6402 -1.505035 13.21799 
1 1 1   -5    2   55 o  251.287   5.7331  427.706   18.449  432.464   31.886  425.312   22.619  252.237   9.3284  250.337   6.6675 1.900330 11.46622 
1 1 1   -5    2   56 o  314.299   5.0346  670.631   21.443  665.808   30.196  675.537   30.454  313.159   7.1155  315.438   7.1245 -2.278900 10.06921 
1 1 1   -5    2   57 o  490.280   6.4189  1632.59   42.624  1696.97   61.463  1572.95   59.161  499.581   9.0788  480.980   9.0766 18.60059 12.83779 
1 1 1   -5    2   58 o  388.024   7.8793  1023.03   41.431  1023.03   41.431   0.0000   0.0000  388.024   7.8793  ?   ?       ?      ? 
1 1 1   -5    2   59 o  190.132   4.5852  245.485   11.811  252.410   16.708  238.568   16.698  192.818   6.3941  187.446   6.5735 5.372162 9.170417 
1 1 1   -5    2   60 o  387.288   5.5913  1019.54   29.344  1031.46   41.612  1007.75   41.385  389.544   7.8828  385.032   7.9317 4.511810 11.18260 
1 1 1   -5    2   61 o  460.228   6.1952  1440.57   38.629  1475.63   55.306  1407.17   53.978  465.693   8.7638  454.762   8.7589 10.93048 12.39042 
1 1 1   -5    2   62 o  470.332   7.6877  1511.93   46.322  1500.70   79.584  1517.68   56.967  468.480   12.536  472.185   8.9028 -3.705627 15.37545 
1 1 1   -5    2   63 o  294.377   5.0200  588.703   20.019  609.775   28.640  568.572   27.994  299.531   7.0559  289.223   7.1424 10.30768 10.03991 
1 1 1   -5    2   64 o  223.284   4.7782  338.519   14.450  329.745   20.050  348.004   20.845  220.279   6.7167  226.288   6.7978 -6.008408 9.556339 
1 1 1   -5    2   65 o  179.915   5.7550  225.051   13.280  236.171   16.559  205.007   22.233  186.421   6.5549  173.409   9.4612 13.01161 11.50999 
1 1 1   -5    2   66 o   53.818   8.5394   20.612   6.0747   20.129   8.6476   21.083   8.5354   53.172   12.253   54.464   11.897 -1.292248 17.07885 
1 1 1   -5    2   67 o  188.215   6.6901  241.778   17.049  244.723   23.713  238.628   24.529  189.432   9.2375  186.999   9.6798 2.432983 13.38019 
1 1 1   -5    2   68 o  217.074   5.9711  316.886   16.490  309.158   20.001  333.285   29.135  213.198   6.9230  220.950   9.7308 -7.751556 11.94218 
1 1 1   -5    2   69 o  146.697   5.1649  146.816   10.241  156.399   14.344  136.852   14.627  151.620   6.9814  141.774   7.6134 9.845581 10.32971 
1 1 1   -5    2   70 o  233.198   6.0117  374.392   17.894  359.939   30.713  381.819   22.017  229.500   9.8753  236.895   6.8584 -7.394714 12.02331 
1 1 1   -5    2   71 o  172.731   4.8778  202.968   11.415  196.722   15.971  209.490   16.320  170.012   6.9323  175.450   6.8639 -5.437866 9.755520 
1 1 1   -5    2   72 o  159.152   4.9323  172.510   10.634  177.553   15.015  167.436   15.062  161.499   6.8606  156.806   7.0880 4.692902 9.864514 
1 1 1   -5    2   73 o   99.415   5.9528   67.888   7.9136   81.506   11.295   54.759   11.091  109.335   7.6233   89.495   9.1449 19.84032 11.90560 
1 1 1   -5    2   74 o  153.451   4.9694  160.467   10.333  159.231   14.533  161.730   14.695  152.855   7.0162  154.047   7.0392 -1.191910 9.938709 
1 1 1   -5    2   75 o  200.250   4.8816  273.372   13.246  268.301   18.649  278.534   18.817  198.370   6.9375  202.130   6.8697 -3.759766 9.763279 
1 1 1   -5    2   76 o  196.476   5.8189  258.194   14.743  283.324   25.565  245.671   18.046  203.217   9.2831  189.736   7.0186 13.48073 11.63777 
1 1 1   -5    2   77 o  184.759   4.8876  233.105   12.235  238.560   17.330  227.684   17.276  186.929   6.8414  182.589   6.9820 4.339447 9.775118 
1 1 1   -5    2   78 o  234.614   7.0514  376.333   22.419   0.0000   0.0000  376.333   22.419  ?   ?   234.614   7.0514      ?      ? 
1 1 1   -5    2   79 f  212.074   5.9250  307.421   16.075  304.022   19.675  314.246   27.879  210.807   6.8871  213.342   9.6431 -2.535034 11.84998 
1 1 1   -5    2   80 o  139.761   5.2159  134.332   9.8465  145.846   13.871  122.638   13.979  145.895   7.0162  133.627   7.7199 12.26746 10.43184 
1 1 1   -5    2   81 o   87.322   7.6616   52.123   8.5012   50.129   10.280   56.436   15.120   85.149   8.9091   89.494   12.467 -4.344864 15.32318 
1 1 1   -5    2   82 o   77.851   6.5266   42.226   6.8557   46.075   9.6184   38.251   9.7745   81.574   8.7009   74.128   9.7303 7.446449 13.05318 
1 1 1   -5    2   83 o  138.008   5.1719  131.293   9.6160  150.504   13.839  113.357   13.372  147.899   6.9047  128.117   7.7019 19.78117 10.34375 
1 1 1   -5    2   84 o   83.921   7.8258   50.686   8.4242   46.944   14.095   52.765   10.507   80.841   12.867   87.000   8.9121 -6.158989 15.65164 
1 1 1   -5    2   85 o  107.246   5.5972   79.759   8.1140   72.221   11.233   87.981   11.733  101.883   8.1362  112.609   7.6887 -10.72607 11.19439 
1 1 1   -5    2   86 o   35.104   9.1003   7.3912   5.7250   4.9582   7.8616   10.138   8.3533   31.853   12.493   38.355   13.236 -6.501751 18.20068 
1 1 1   -5    2   87 o   85.870   6.1854   51.901   7.1918   52.492   10.010   51.271   10.340   86.448   8.5447   85.292   8.9456 1.155434 12.37073 
1 1 1   -5    2   88 o   41.464   9.1674   12.821   5.7282   11.712   7.9949   13.991   8.2114   39.899   12.938   43.030   12.991 -3.130428 18.33490 
1 1 1   -5    2   89 o   58.478   9.4838   24.925   7.1317   33.393   12.109   20.427   8.8247   65.440   14.073   51.516   12.717 13.92410 18.96763 
1 1 1   -5    2   90 o  130.102   6.4629  120.599   10.786  121.703   18.470  120.028   13.287  129.463   10.528  130.740   7.4994 -1.277206 12.92589 
1 1 1   -5    2   91 o  125.655   6.4229  110.733   10.443  121.077   17.905  105.400   12.856  129.098   10.235  122.211   7.7630 6.887604 12.84573 
1 1 1   -5    2   92 o   54.216   10.805   23.949   8.7291   33.459   12.444   14.739   12.247   64.461   14.587   43.970   15.944 20.49063 21.60993 
1 1 1   -5    2   93 o   57.768   15.678   27.860   12.587   27.860   12.587   0.0000   0.0000   57.768   15.678  ?   ?       ?      ? 
1 1 1   -5    2   94 o   39.192   15.171   10.486   11.477   10.486   11.477   0.0000   0.0000   39.192   15.171  ?   ?       ?      ? 
1 1 1   -5    2   95 o   42.777   15.682   14.398   11.895   14.398   11.895   0.0000   0.0000   42.777   15.682  ?   ?       ?      ? 
1 1 1   -5    3    1 o  1039.53   11.699  7333.32  164.786  7255.71  231.252  7413.38  234.876  1033.94   16.505  1045.11   16.584 -11.16553 23.39739 
1 1 1   -5    3    2 o  942.270   10.655  6024.33  136.057  6010.75  192.092  6038.00  192.736  941.205   15.061  943.335   15.077 -2.130310 21.31049 
1 1 1   -5    3    3 o  975.791   11.006  6457.44  145.485  6613.86  209.000  6310.39  202.642  987.244   15.622  964.339   15.507 22.90472 22.01147 
1 1 1   -5    3    4 o  1115.70   17.683  8450.62  267.358  8450.62  267.358   0.0000   0.0000  1115.70   17.683  ?   ?       ?      ? 
1 1 1   -5    3    5 o  746.590   9.9559  3735.15   86.629  3691.67   99.416  3872.29  176.575  737.906   9.9420  755.274   17.252 -17.36780 19.91172 
1 1 1   -5    3    6 o  1197.05   18.860  9730.79  305.934  9730.79  305.934   0.0000   0.0000  1197.05   18.860  ?   ?       ?      ? 
1 1 1   -5    3    7 o  1340.26   21.089 12205.94  383.030 12205.94  383.030   0.0000   0.0000  1340.26   21.089  ?   ?       ?      ? 
1 1 1   -5    3    8 o  511.662   6.3671  1773.14   44.127  1834.29   63.579  1716.31   61.293  520.165   9.0197  503.158   8.9893 17.00674 12.73427 
1 1 1   -5    3    9 o  607.203   10.317  2499.98   84.891  2499.98   84.891   0.0000   0.0000  607.203   10.317  ?   ?       ?      ? 
1 1 1   -5    3   10 o  931.115   12.951  5791.99  152.069  6150.17  273.911  5632.40  182.833  951.201   21.250  911.029   14.809 40.17145 25.90125 
1 1 1   -5    3   11 o  610.429   7.3292  2524.02   60.594  2441.29   84.006  2613.75   87.486  600.015   10.332  620.843   10.399 -20.82831 14.65849 
1 1 1   -5    3   12 o  404.846   5.4217  1110.90   29.743  1125.60   42.344  1096.58   41.786  407.490   7.6683  402.203   7.6666 5.287506 10.84336 
1 1 1   -5    3   13 o  561.227   6.8498  2135.70   52.094  2153.60   74.018  2118.13   73.332  563.558   9.6920  558.897   9.6823 4.660522 13.69969 
1 1 1   -5    3   14 o  536.457   9.3954  1951.46   68.302  1951.46   68.302   0.0000   0.0000  536.457   9.3954  ?   ?       ?      ? 
1 1 1   -5    3   15 o  818.535   18.799  4555.13  208.520  4555.13  208.520   0.0000   0.0000  818.535   18.799  ?   ?       ?      ? 
1 1 1   -5    3   16 o  750.299   12.353  3826.57  125.602  3861.60  178.075  3791.90  177.183  753.721   17.435  746.878   17.506 6.843323 24.70683 
1 1 1   -5    3   17 o  688.956   9.9560  3208.01   87.215  3179.07  106.095  3268.33  153.165  684.455   11.438  693.456   16.299 -9.001404 19.91207 
1 1 1   -5    3   18 o  471.601   6.0395  1508.28   38.597  1499.18   54.369  1517.54   54.802  470.166   8.5332  473.035   8.5490 -2.869293 12.07900 
1 1 1   -5    3   19 o  323.100   4.7922  707.740   20.982  701.588   29.549  713.996   29.799  321.684   6.7784  324.516   6.7760 -2.832336 9.584443 
1 1 1   -5    3   20 o  422.056   5.6112  1207.97   32.092  1221.94   45.601  1194.26   45.171  424.473   7.9276  419.638   7.9433 4.835938 11.22248 
1 1 1   -5    3   21 o  366.819   5.1498  912.253   25.596  897.089   35.895  927.941   36.510  363.718   7.2826  369.919   7.2832 -6.201416 10.29954 
1 1 1   -5    3   22 o  327.842   4.8548  728.681   21.567  742.167   30.703  715.547   30.300  330.837   6.8483  324.848   6.8831 5.988739 9.709611 
1 1 1   -5    3   23 o  506.651   6.3871  1740.55   43.840  1697.71   61.132  1785.91   62.905  500.238   9.0180  513.065   9.0475 -12.82715 12.77429 
1 1 1   -5    3   24 f  203.748   4.1064  281.401   11.336  289.325   16.116  273.639   15.948  206.588   5.7565  200.908   5.8578 5.680008 8.212888 
1 1 1   -5    3   25 o  489.369   6.2373  1624.07   41.357  1596.00   57.915  1653.28   59.079  485.056   8.8108  493.682   8.8308 -8.625549 12.47453 
1 1 1   -5    3   26 f  654.521   7.8069  2907.03   69.239  2872.44   97.128  2942.78   98.727  650.565   11.017  658.477   11.064 -7.912354 15.61387 
1 1 1   -5    3   27 o  689.875   8.1811  3228.13   76.459  3147.68  106.517  3313.64  109.816  681.017   11.542  698.734   11.598 -17.71692 16.36222 
1 1 1   -5    3   28 o  719.893   10.376  3509.90   95.184  3549.77  166.151  3490.42  116.129  722.633   16.967  717.153   11.949 5.480042 20.75240 
1 1 1   -5    3   29 o  644.783   7.7194  2820.38   67.449  2816.47   95.270  2824.30   95.506  644.336   10.911  645.230   10.923 -0.8937988 15.43879 
1 1 1   -5    3   30 o  692.422   9.9906  3155.54   86.636  3006.53  103.129  3512.89  159.704  665.716   11.432  719.128   16.388 -53.41229 19.98124 
1 1 1   -5    3   31 o  666.937   9.7169  3037.84   83.253  3079.57  102.918  2958.84  141.609  673.787   11.272  660.086   15.831 13.70129 19.43370 
1 1 1   -5    3   32 o  428.637   8.1150  1245.60   47.137  1245.60   47.137   0.0000   0.0000  428.637   8.1150  ?   ?       ?      ? 
1 1 1   -5    3   33 o  696.879   8.2512  3289.90   77.868  3422.00  112.662  3169.08  107.745  710.252   11.705  683.506   11.633 26.74597 16.50240 
1 1 1   -5    3   34 o  738.987   10.642  3707.44  100.297  3707.87  122.641  3706.57  174.279  739.288   12.242  738.686   17.410 0.6019287 21.28311 
1 1 1   -5    3   35 o  557.216   6.9023  2105.45   52.119  2101.15   73.509  2109.80   73.907  556.644   9.7449  557.788   9.7777 -1.143555 13.80456 
1 1 1   -5    3   36 o  456.675   6.0072  1413.24   37.166  1380.68   51.855  1447.64   53.297  451.269   8.4796  462.081   8.5114 -10.81131 12.01445 
1 1 1   -5    3   37 o  685.385   9.9648  3172.64   87.049  3235.30  152.197  3142.18  106.119  690.186   16.273  680.583   11.506 9.602417 19.92960 
1 1 1   -5    3   38 o  853.724   9.8309  4947.06  113.730  4991.82  161.710  4903.26  159.982  857.544   13.915  849.906   13.890 7.638184 19.66179 
1 1 1   -5    3   39 o  569.321   7.0371  2197.15   54.276  2146.49   75.659  2250.87   77.907  562.565   9.9244  576.077   9.9795 -13.51215 14.07429 
1 1 1   -5    3   40 o  325.157   4.9981  716.664   22.020  732.942   31.321  700.755   30.965  328.808   7.0293  321.505   7.1072 7.302673 9.996150 
1 1 1   -5    3   41 o  566.057   7.0201  2173.31   53.847  2152.42   75.644  2194.77   76.669  563.301   9.9095  568.813   9.9464 -5.512268 14.04026 
1 1 1   -5    3   42 o  596.247   7.3114  2410.59   59.057  2352.78   82.272  2472.04   84.825  588.879   10.310  603.614   10.370 -14.73511 14.62275 
1 1 1   -5    3   43 o  555.589   6.9365  2094.09   52.223  2115.00   74.169  2073.54   73.544  558.339   9.8026  552.838   9.8167 5.501831 13.87295 
1 1 1   -5    3   44 o  483.710   6.3113  1586.39   41.360  1550.71   57.749  1623.97   59.265  478.129   8.9128  489.291   8.9382 -11.16220 12.62257 
1 1 1   -5    3   45 f  457.069   8.5559  1416.94   52.959  1468.27   76.610  1369.97   73.291  464.982   12.158  449.156   12.041 15.82578 17.11181 
1 1 1   -5    3   46 o  443.479   7.3236  1341.37   41.728  1314.75   71.079  1355.37   51.546  439.977   11.921  446.981   8.5099 -7.004730 14.64716 
1 1 1   -5    3   47 o  369.128   5.3855  924.176   26.939  918.906   37.954  929.527   38.242  368.068   7.6093  370.188   7.6232 -2.120239 10.77097 
1 1 1   -5    3   48 o  479.977   7.6197  1525.17   46.182  1460.32   55.412  1672.68   83.569  463.878   8.8149  496.076   12.431 -32.19788 15.23944 
1 1 1   -5    3   49 o  582.239   8.8415  2329.99   66.298  2388.38   82.444  2223.12  111.537  593.009   10.259  571.470   14.403 21.53906 17.68297 
1 1 1   -5    3   50 o  370.162   6.6845  934.653   31.451  942.701   38.417  918.297   54.768  372.733   7.6058  367.590   10.995 5.143768 13.36905 
1 1 1   -5    3   51 o  116.347   6.1641   91.401   8.9195   90.636   10.651   93.197   16.320  115.584   6.8001  117.110   10.283 -1.525986 12.32826 
1 1 1   -5    3   52 o  244.318   4.6415  404.603   15.360  389.259   21.370  421.001   22.092  239.530   6.5837  249.107   6.5444 -9.576889 9.283017 
1 1 1   -5    3   53 o  246.198   4.6491  411.216   15.510  405.088   21.779  417.521   22.092  244.337   6.5775  248.059   6.5721 -3.721619 9.298181 
1 1 1   -5    3   54 o  245.147   5.7248  408.900   17.945  405.878   30.964  410.428   22.021  244.368   9.3505  245.926   6.6076 -1.557510 11.44955 
1 1 1   -5    3   55 o  418.532   7.1286  1195.39   38.187  1179.69   65.655  1203.42   46.945  416.176   11.641  420.888   8.2307 -4.711670 14.25722 
1 1 1   -5    3   56 o  386.081   5.5530  1012.13   29.047  1039.72   41.535  985.729   40.636  391.230   7.8343  380.932   7.8720 10.29803 11.10604 
1 1 1   -5    3   57 o  142.464   4.6722  137.783   9.0181  134.091   12.710  141.527   12.798  140.539   6.6737  144.388   6.5405 -3.849335 9.344347 
1 1 1   -5    3   58 o  206.908   4.5931  290.646   12.878  294.553   18.255  286.776   18.169  208.294   6.4674  205.522   6.5236 2.771713 9.186107 
1 1 1   -5    3   59 o  330.007   5.1833  738.405   23.152  790.732   33.534  690.753   32.002  341.164   7.2535  318.849   7.4063 22.31470 10.36661 
1 1 1   -5    3   60 o  188.774   5.6265  245.308   13.652  232.463   23.020  252.277   16.956  184.807   9.1917  192.740   6.4918 -7.932678 11.25308 
1 1 1   -5    3   61 o  115.736   6.2555   94.779   9.1749   80.143   15.375  102.873   11.434  108.419   10.465  123.053   6.8567 -14.63398 12.51102 
1 1 1   -5    3   62 f  186.912   4.6588  237.006   11.776  259.134   16.979  216.494   16.347  195.320   6.4147  178.504   6.7578 16.81554 9.317522 
1 1 1   -5    3   63 o  185.730   4.6586  234.233   11.711  250.867   16.783  218.450   16.348  192.163   6.4449  179.297   6.7285 12.86604 9.317136 
1 1 1   -5    3   64 o  134.463   4.9260  122.784   8.9713  117.991   12.471  127.925   12.916  131.745   6.9851  137.182   6.9476 -5.436676 9.851955 
1 1 1   -5    3   65 o  158.935   5.7850  173.129   11.746  175.523   14.439  168.446   20.195  160.699   6.6305  157.171   9.4816 3.528168 11.56994 
1 1 1   -5    3   66 o  126.922   6.4362  110.303   10.181  111.059   12.227  108.595   18.386  127.789   7.0607  126.054   10.763 1.734779 12.87235 
1 1 1   -5    3   67 f  159.912   4.8370  173.875   10.475  182.650   14.929  165.366   14.701  163.895   6.7217  155.928   6.9575 7.967331 9.674050 
1 1 1   -5    3   68 o  223.379   4.8722  339.148   14.729  364.177   21.135  315.512   20.538  231.404   6.7397  215.353   7.0377 16.05165 9.744378 
1 1 1   -5    3   69 o  160.898   4.9307  175.827   10.731  161.321   14.865  191.613   15.507  153.966   7.1244  167.830   6.8184 -13.86438 9.861363 
1 1 1   -5    3   70 o  294.005   6.3250  588.378   23.619  594.394   41.457  585.487   28.739  294.749   10.379  293.262   7.2316 1.486633 12.64996 
1 1 1   -5    3   71 o  211.436   6.0107  304.561   16.184  306.366   28.234  303.678   19.750  211.652   9.8438  211.220   6.9001 0.4323883 12.02132 
1 1 1   -5    3   72 o  145.153   6.3665  141.354   11.845  136.202   14.439  151.955   20.713  141.364   7.5375  148.943   10.262 -7.578583 12.73293 
1 1 1   -5    3   73 o  214.058   6.0024  303.621   16.221  288.347   19.432  338.714   29.455  205.728   6.9703  222.388   9.7739 -16.65974 12.00477 
1 1 1   -5    3   74 o  178.214   4.8932  216.467   11.815  222.560   16.778  210.475   16.640  180.712   6.8514  175.717   6.9879 4.995499 9.786369 
1 1 1   -5    3   75 o   69.185   9.2322   35.671   7.9525   28.031   13.298   39.924   9.9222   62.092   15.773   76.279   9.5988 -14.18764 18.46445 
1 1 1   -5    3   76 o  173.725   4.9244  205.776   11.577  191.196   16.100  221.386   16.660  167.335   7.1001  180.115   6.8256 -12.77994 9.848892 
1 1 1   -5    3   77 o  146.244   5.0394  146.280   9.9742  155.142   14.129  137.477   14.082  150.699   6.9188  141.790   7.3290 8.909592 10.07885 
1 1 1   -5    3   78 o  179.015   4.9368  219.173   11.974  219.378   16.786  218.960   17.086  179.116   6.9158  178.914   7.0470 0.2016296 9.873578 
1 1 1   -5    3   79 o  195.581   6.0161  262.248   14.983  260.372   18.273  266.095   26.173  195.028   6.9140  196.134   9.8472 -1.105988 12.03211 
1 1 1   -5    3   80 o  125.742   7.3844  108.542   12.583  108.542   12.583   0.0000   0.0000  125.742   7.3844  ?   ?       ?      ? 
1 1 1   -5    3   81 o   78.344   6.7113   43.066   7.0060   51.690   9.8836   34.356   9.9327   86.512   8.4305   70.176   10.445 16.33620 13.42253 
1 1 1   -5    3   82 o   82.974   6.4290   48.369   7.1130   57.473   9.9920   39.015   10.128   91.196   8.0853   74.753   9.9979 16.44302 12.85806 
1 1 1   -5    3   83 o  114.758   5.4703   91.150   8.4961   93.518   11.824   88.622   12.217  116.371   7.4976  113.145   7.9676 3.225441 10.94063 
1 1 1   -5    3   84 f   86.826   8.4753   57.747   8.7940   44.940   14.886   64.613   10.899   77.272   14.754   96.380   8.3449 -19.10717 16.95056 
1 1 1   -5    3   85 o   54.614   8.4359   22.193   6.3555   12.418   8.9158   32.292   9.0620   41.586   13.672   67.643   9.8860 -26.05692 16.87174 
1 1 1   -5    3   86 o   76.886   6.6742   42.049   6.8598   49.761   9.7123   34.372   9.6902   84.268   8.5050   69.505   10.288 14.76347 13.34846 
1 1 1   -5    3   87 o   88.073   7.4272   54.304   8.3773   59.650   14.687   51.726   10.199   90.488   11.977   85.658   8.7865 4.829590 14.85448 
1 1 1   -5    3   88 o   41.774   9.9281   10.022   6.7010   21.752   11.614   4.1683   8.2043   52.392   15.362   31.157   12.580 21.23439 19.85621 
1 1 1   -5    3   89 o   73.359   8.2591   37.740   7.8637   46.093   13.648   33.589   9.6213   78.569   12.819   68.149   10.418 10.41969 16.51824 
1 1 1   -5    3   90 o   94.422   7.3394   63.645   8.9874   68.593   15.270   61.022   11.117   96.330   11.698   92.514   8.8671 3.815948 14.67880 
1 1 1   -5    3   91 o  120.723   6.7734  105.684   10.462  103.236   17.827  106.971   12.921  118.380   11.112  123.066   7.7480 -4.685989 13.54680 
1 1 1   -5    3   92 o   81.278   13.215   50.603   14.556   50.603   14.556   0.0000   0.0000   81.278   13.215  ?   ?       ?      ? 
1 1 1   -5    3   93 o   76.577   14.245   46.921   14.238   46.921   14.238   0.0000   0.0000   76.577   14.245  ?   ?       ?      ? 
1 1 1   -5    3   94 o   31.974   14.005   1.2229   11.584   1.2229   11.584   0.0000   0.0000   31.974   14.005  ?   ?       ?      ? 
1 1 1   -5    3   95 o   61.031   16.408   32.501   13.864   32.501   13.864   0.0000   0.0000   61.031   16.408  ?   ?       ?      ? 
1 1 1   -5    4    1 o  850.568   9.7308  4909.46  112.160  4906.16  158.456  4912.77  158.782  850.283   13.752  850.854   13.771 -0.5710449 19.46159 
1 1 1   -5    4    2 o  788.143   9.0942  4213.03   97.113  4137.29  135.806  4292.28  138.923  780.899   12.833  795.386   12.889 -14.48737 18.18842 
1 1 1   -5    4    3 o  757.666   8.7861  3894.24   90.208  3922.44  128.173  3866.57  126.982  760.383   12.439  754.950   12.412 5.433044 17.57223 
1 1 1   -5    4    4 o  831.629   9.5378  4692.75  107.485  4661.62  151.304  4724.46  152.721  828.847   13.471  834.412   13.506 -5.564575 19.07567 
1 1 1   -5    4    5 o  665.763   7.8758  3005.78   71.049  2966.81   99.670  3046.05  101.307  661.377   11.121  670.148   11.155 -8.771179 15.75162 
1 1 1   -5    4    6 o  578.216   8.0617  2263.79   54.828  2259.75   63.358  2275.86  109.410  577.344   8.0981  579.088   13.942 -1.743408 16.12333 
1 1 1   -5    4    7 o  612.518   8.9840  2549.18   70.619  2556.87   86.959  2534.29  121.023  614.012   10.451  611.023   14.616 2.988342 17.96798 
1 1 1   -5    4    8 o  352.703   7.0456  843.258   33.675   0.0000   0.0000  843.258   33.675  ?   ?   352.703   7.0456      ?      ? 
1 1 1   -5    4    9 o  434.648   6.9545  1294.15   38.909  1238.97   65.611  1324.09   48.324  427.367   11.329  441.930   8.0691 -14.56235 13.90892 
1 1 1   -5    4   10 o  682.651   16.037  3165.40  148.355  3165.40  148.355   0.0000   0.0000  682.651   16.037  ?   ?       ?      ? 
1 1 1   -5    4   11 f  366.039   6.1959  905.960   29.041  916.444   50.213  900.690   35.599  367.579   10.081  364.499   7.2070 3.080688 12.39188 
1 1 1   -5    4   12 o  403.494   6.5964  1098.70   34.037  1120.66   59.127  1087.82   41.625  406.432   10.735  400.556   7.6684 5.876465 13.19289 
1 1 1   -5    4   14 o  243.966   8.6627  403.656   28.639   0.0000   0.0000  403.656   28.639  ?   ?   243.966   8.6627      ?      ? 
1 1 1   -5    4   15 o  457.924   7.2636  1393.91   41.917  1346.86   50.298  1500.87   75.843  445.642   8.3288  470.207   11.903 -24.56461 14.52721 
1 1 1   -5    4   16 o  308.476   6.6275  645.151   27.705  645.151   27.705   0.0000   0.0000  308.476   6.6275  ?   ?       ?      ? 
1 1 1   -5    4   17 o  358.222   5.0773  870.104   24.647  876.495   34.969  863.796   34.743  359.529   7.1774  356.915   7.1832 2.614075 10.15452 
1 1 1   -5    4   18 o  468.282   6.0270  1487.22   38.243  1466.34   53.654  1508.78   54.523  464.942   8.5158  471.622   8.5311 -6.679352 12.05394 
1 1 1   -5    4   19 o  252.103   4.3271  430.735   14.780  443.550   21.109  418.411   20.700  255.781   6.0899  248.425   6.1489 7.355484 8.654240 
1 1 1   -5    4   20 o  390.716   5.3593  1035.10   28.373  1017.14   39.810  1053.65   40.449  387.271   7.5857  394.161   7.5727 -6.890045 10.71859 
1 1 1   -5    4   21 o  196.602   5.7736  262.032   15.382  262.032   15.382   0.0000   0.0000  196.602   5.7736  ?   ?       ?      ? 
1 1 1   -5    4   22 o  164.790   3.9955  184.079   8.9222  185.937   12.662  182.246   12.574  165.616   5.6419  163.964   5.6591 1.652374 7.990962 
1 1 1   -5    4   23 o  249.296   4.3577  421.294   14.721  416.513   20.720  426.169   20.919  247.867   6.1685  250.724   6.1570 -2.856873 8.715427 
1 1 1   -5    4   24 o  571.430   7.0018  2215.37   54.219  2216.23   76.681  2214.51   76.675  571.541   9.9005  571.319   9.9036 0.2218018 14.00355 
1 1 1   -5    4   25 o  593.250   7.2120  2387.61   57.978  2371.04   81.643  2404.46   82.349  591.175   10.191  595.325   10.208 -4.149597 14.42404 
1 1 1   -5    4   26 o  723.991   17.069  3563.17  167.465  3563.17  167.465   0.0000   0.0000  723.991   17.069  ?   ?       ?      ? 
1 1 1   -5    4   27 o  1017.43   11.522  7022.47  158.732  7297.73  230.274  6773.27  219.104  1036.39   16.396  998.484   16.193 37.90063 23.04439 
1 1 1   -5    4   28 o  992.487   13.746  6561.46  171.665  6341.75  205.746  7064.84  311.423  966.317   15.712  1018.66   22.560 -52.33954 27.49220 
1 1 1   -5    4   29 o  510.341   7.8310  1711.90   50.286  1626.13   60.057  1913.05   91.976  489.714   9.0498  530.969   12.783 -41.25479 15.66197 
1 1 1   -5    4   30 f  860.471   9.8871  5024.66  115.281  4973.82  161.876  5076.98  164.213  856.058   13.954  864.884   14.011 -8.826111 19.77419 
1 1 1   -5    4   31 o  1155.48   18.305  9072.13  286.622  9072.13  286.622   0.0000   0.0000  1155.48   18.305  ?   ?       ?      ? 
1 1 1   -5    4   32 o  780.371   11.175  4158.11  111.734  4207.42  137.670  4062.92  191.261  787.461   12.901  773.281   18.252 14.18018 22.35100 
1 1 1   -5    4   33 o  492.046   7.7770  1639.01   48.650  1633.17   59.251  1651.09   85.232  490.789   8.9087  493.302   12.750 -2.513885 15.55400 
1 1 1   -5    4   34 o  331.952   5.0220  745.917   22.575  714.751   31.268  779.855   32.629  324.719   7.1057  339.185   7.0987 -14.46646 10.04401 
1 1 1   -5    4   35 o  419.878   5.6986  1194.90   32.420  1221.81   46.258  1168.92   45.449  424.524   8.0409  415.233   8.0770 9.291718 11.39710 
1 1 1   -5    4   36 o  196.842   5.1752  256.847   13.135  281.278   22.787  244.691   16.074  203.684   8.2558  190.001   6.2429 13.68268 10.35042 
1 1 1   -5    4   37 o  451.427   11.880  1382.68   72.673  1382.68   72.673   0.0000   0.0000  451.427   11.880  ?   ?       ?      ? 
1 1 1   -5    4   38 o  616.641   7.4898  2579.41   62.587  2574.56   88.366  2584.29   88.658  616.060   10.585  617.223   10.600 -1.162537 14.97965 
1 1 1   -5    4   39 o  479.028   8.8121  1556.14   57.204  1556.14   57.204   0.0000   0.0000  479.028   8.8121  ?   ?       ?      ? 
1 1 1   -5    4   40 o  583.285   7.2023  2307.75   56.924  2284.64   79.844  2331.63   81.178  580.319   10.153  586.251   10.218 -5.932434 14.40460 
1 1 1   -5    4   41 o  619.631   10.627  2602.68   89.120  2738.65  130.109  2482.50  122.321  634.828   15.124  604.434   14.934 30.39423 21.25452 
1 1 1   -5    4   42 o  276.146   5.7739  512.392   20.383  531.431   35.571  503.084   24.872  279.889   9.3783  272.401   6.7378 7.488037 11.54774 
1 1 1   -5    4   43 o  315.314   6.1243  675.058   24.629  672.373   42.761  676.391   30.128  314.787   10.024  315.841   7.0390 -1.054077 12.24866 
1 1 1   -5    4   44 o  313.190   6.0801  656.998   24.275  689.886   42.723  641.319   29.499  318.846   9.8877  307.533   7.0784 11.31396 12.16015 
1 1 1   -5    4   45 o  543.316   6.8396  2002.82   50.351  1974.43   70.493  2032.40   71.942  539.388   9.6441  547.244   9.7010 -7.856262 13.67915 
1 1 1   -5    4   46 o  382.428   5.4760  992.062   28.378  1003.28   40.193  980.909   40.072  384.586   7.7122  380.271   7.7761 4.316010 10.95198 
1 1 1   -5    4   47 o  458.675   6.1117  1425.45   37.958  1368.82   52.437  1487.78   55.016  449.123   8.6156  468.227   8.6707 -19.10391 12.22332 
1 1 1   -5    4   48 o  630.432   9.4544  2764.92   77.421  2944.72   98.422  2473.08  125.391  658.331   11.032  602.531   15.357 55.80005 18.90887 
1 1 1   -5    4   49 o  761.190   12.655  3941.66  130.538  3941.66  130.538   0.0000   0.0000  761.190   12.655  ?   ?       ?      ? 
1 1 1   -5    4   50 o  705.316   8.4177  3381.84   80.432  3474.65  115.447  3294.29  112.123  714.711   11.920  695.921   11.889 18.79022 16.83549 
1 1 1   -5    4   51 o  467.910   6.2021  1486.75   39.324  1506.72   55.934  1467.24   55.298  471.017   8.7630  464.803   8.7793 6.213989 12.40429 
1 1 1   -5    4   52 o  478.595   6.3099  1555.35   40.914  1522.08   57.124  1590.40   58.628  473.345   8.9055  483.845   8.9416 -10.50043 12.61982 
1 1 1   -5    4   53 o  415.047   5.7705  1169.82   32.454  1157.06   45.560  1182.97   46.241  412.751   8.1453  417.343   8.1761 -4.591888 11.54104 
1 1 1   -5    4   54 o   69.365   8.1512   33.391   7.0366   33.120   12.123   33.528   8.6412   68.497   13.540   70.233   9.0793 -1.735756 16.30243 
1 1 1   -5    4   55 o  351.960   6.4840  838.929   29.151  852.200   50.689  832.371   35.633  353.832   10.571  350.089   7.5109 3.743408 12.96801 
1 1 1   -5    4   56 o  245.936   4.6981  410.622   15.657  411.573   22.115  409.667   22.170  246.222   6.6280  245.649   6.6600 0.5732422 9.396123 
1 1 1   -5    4   57 o  297.920   7.0256  602.779   28.364  602.779   28.364   0.0000   0.0000  297.920   7.0256  ?   ?       ?      ? 
1 1 1   -5    4   58 o  294.981   4.9511  590.864   19.788  607.098   28.224  575.172   27.750  298.969   6.9665  290.994   7.0371 7.974518 9.902183 
1 1 1   -5    4   59 o  139.046   5.6654  129.035   10.189  139.428   17.504  123.708   12.532  143.139   9.0238  134.952   6.8524 8.186783 11.33071 
1 1 1   -5    4   60 o  188.087   4.6613  240.100   11.874  251.537   17.040  229.301   16.557  192.443   6.5339  183.732   6.6497 8.710632 9.322616 
1 1 1   -5    4   61 o  336.279   5.2453  768.769   23.902  772.996   33.725  764.503   33.880  337.213   7.3802  335.344   7.4555 1.868958 10.49053 
1 1 1   -5    4   62 o  192.266   4.6506  251.184   12.115  253.286   17.038  249.035   17.231  193.084   6.5117  191.447   6.6416 1.637390 9.301274 
1 1 1   -5    4   63 o  189.936   4.6885  245.251   12.063  252.479   17.010  237.938   17.109  192.762   6.5117  187.109   6.7474 5.652573 9.377079 
1 1 1   -5    4   64 o  325.572   6.5311  727.390   26.885  736.346   32.721  708.778   47.169  329.036   7.3383  322.108   10.806 6.927643 13.06223 
1 1 1   -5    4   65 o  169.355   6.6900  194.976   15.353  194.976   15.353   0.0000   0.0000  169.355   6.6900  ?   ?       ?      ? 
1 1 1   -5    4   66 o  383.975   7.9650  1003.90   41.445  1003.90   41.445   0.0000   0.0000  383.975   7.9650  ?   ?       ?      ? 
1 1 1   -5    4   67 o  216.240   4.8450  317.713   14.189  303.729   19.737  332.672   20.413  211.315   6.8924  221.164   6.8111 -9.849411 9.690037 
1 1 1   -5    4   68 o  209.835   4.8020  299.569   13.652  303.706   19.196  295.335   19.419  211.311   6.7034  208.358   6.8776 2.953369 9.604034 
1 1 1   -5    4   69 o  399.183   8.1667  1086.12   44.177  1086.12   44.177   0.0000   0.0000  399.183   8.1667  ?   ?       ?      ? 
1 1 1   -5    4   70 o  338.972   6.5700  755.812   28.078  864.190   51.368  709.637   33.530  355.218   10.671  322.726   7.6668 32.49179 13.13990 
1 1 1   -5    4   71 o   72.785   8.7750   34.296   8.1554   47.330   14.210   27.895   9.9587   82.906   12.649   62.663   12.166 20.24259 17.55000 
1 1 1   -5    4   72 o  219.143   4.8846  327.140   14.504  330.764   20.440  323.465   20.584  220.376   6.8445  217.910   6.9705 2.465973 9.769106 
1 1 1   -5    4   73 o  198.883   6.9506  269.568   18.733  269.568   18.733   0.0000   0.0000  198.883   6.9506  ?   ?       ?      ? 
1 1 1   -5    4   74 f  117.448   6.4932   91.982   9.8773  103.040   17.031   86.378   12.125  122.461   10.263  112.434   7.9577 10.02707 12.98642 
1 1 1   -5    4   75 o  144.623   6.1511  141.905   11.525  148.102   19.569  138.613   14.261  146.793   9.8372  142.453   7.3873 4.339386 12.30215 
1 1 1   -5    4   76 o  165.673   7.1707  189.106   16.068  188.475   22.032  189.823   23.483  165.463   9.8260  165.884   10.446 -0.4208374 14.34143 
1 1 1   -5    4   77 o  252.956   6.2620  437.453   19.944  433.379   24.064  446.392   35.644  251.747   7.0538  254.165   10.349 -2.417435 12.52406 
1 1 1   -5    4   78 o  138.125   6.4733  125.132   11.242  115.384   13.359  148.793   20.813  129.721   7.5994  146.529   10.481 -16.80727 12.94650 
1 1 1   -5    4   79 o  148.095   6.6105  155.813   12.019  162.225   14.427  141.271   21.727  153.880   6.9185  142.311   11.266 11.56834 13.22103 
1 1 1   -5    4   80 o  135.742   6.0576  125.244   10.602  120.940   13.019  133.721   18.270  132.697   7.2399  138.786   9.7141 -6.089066 12.11525 
1 1 1   -5    4   81 o  113.636   5.4534   89.354   8.3443  100.919   11.814   77.839   11.788  121.128   7.1970  106.145   8.1951 14.98356 10.90671 
1 1 1   -5    4   82 o  111.022   5.3791   85.117   8.0854   85.543   11.215   84.657   11.667  111.358   7.4321  110.686   7.7782 0.6717987 10.75812 
1 1 1   -5    4   83 o   98.751   5.7025   67.686   7.6260   68.999   10.662   66.312   10.911   99.783   7.8853   97.720   8.2398 2.062378 11.40491 
1 1 1   -5    4   84 o   74.007   8.7472   41.740   7.9419   34.368   13.274   45.850   9.9117   67.092   14.979   80.922   9.0385 -13.83006 17.49441 
1 1 1   -5    4   85 o  101.046   7.4052   77.703   9.2780   56.411   15.180   90.400   11.722   88.065   12.720  114.026   7.5863 -25.96072 14.81047 
1 1 1   -5    4   86 o   89.331   7.3859   56.096   8.5267   60.253   14.603   53.945   10.503   91.146   11.822   87.516   8.8563 3.630959 14.77178 
1 1 1   -5    4   87 o   68.146   9.2726   38.078   7.8050   25.718   13.068   44.932   9.7312   56.632   16.207   79.659   9.0147 -23.02671 18.54524 
1 1 1   -5    4   88 o   50.456   9.7787   20.997   7.1168   12.981   11.900   25.461   8.8797   42.796   15.686   58.116   11.680 -15.31961 19.55737 
1 1 1   -5    4   89 o   73.772   8.6053   40.998   7.9445   40.238   13.377   41.412   9.8746   71.593   14.288   75.951   9.5940 -4.357933 17.21061 
1 1 1   -5    4   90 o  126.054   7.8604  116.725   13.380  115.632   18.161  118.023   19.787  125.813   10.652  126.295   11.562 -0.4820633 15.72078 
1 1 1   -5    4   91 o  106.498   8.3211   85.316   11.853   91.194   15.985   78.135   17.667  111.551   10.574  101.446   12.851 10.10458 16.64220 
1 1 1   -5    4   92 o   64.592   15.258   34.322   13.142   34.322   13.142   0.0000   0.0000   64.592   15.258  ?   ?       ?      ? 
1 1 1   -5    4   93 o   39.173   15.309   10.269   11.772   10.269   11.772   0.0000   0.0000   39.173   15.309  ?   ?       ?      ? 
1 1 1   -5    4   94 o   43.968   16.164   15.449   12.649   15.449   12.649   0.0000   0.0000   43.968   16.164  ?   ?       ?      ? 
1 1 1   -5    4   95 o   20.046   9.9690 -22.7685   10.582 -22.7685   10.582   0.0000   0.0000   20.046   9.9690  ?   ?       ?      ? 
1 1 1   -5    5    1 o  359.422   7.1605  875.867   34.876   0.0000   0.0000  875.867   34.876  ?   ?   359.422   7.1605      ?      ? 
1 1 1   -5    5    2 f  292.736   4.5469  580.695   18.033  599.672   25.770  562.486   25.242  297.421   6.3938  288.050   6.4665 9.370941 9.093781 
1 1 1   -5    5    3 o  284.222   5.5668  549.205   20.129  543.601   35.065  551.959   24.583  283.101   9.1401  285.344   6.3575 -2.243561 11.13365 
1 1 1   -5    5    4 o  335.659   6.0314  764.674   25.761  762.347   44.938  765.813   31.440  335.226   9.8922  336.091   6.9031 -0.8652344 12.06272 
1 1 1   -5    5    5 o  321.980   6.7516  702.844   29.459   0.0000   0.0000  702.844   29.459  ?   ?   321.980   6.7516      ?      ? 
1 1 1   -5    5    6 o  287.456   4.5165  560.179   17.593  563.878   24.878  556.478   24.883  288.406   6.3655  286.506   6.4089 1.899872 9.032952 
1 1 1   -5    5    7 o  436.552   6.9514  1287.90   38.801  1277.90   47.469  1308.04   67.353  434.098   8.0693  439.007   11.321 -4.908691 13.90279 
1 1 1   -5    5    8 o  324.309   5.4823  714.288   21.079  715.438   24.479  710.990   41.459  324.878   5.5601  323.740   9.4502 1.137695 10.96455 
1 1 1   -5    5    9 o  577.408   8.0761  2251.10   54.749  2239.23   63.156  2286.99  109.826  574.617   8.1106  580.200   13.968 -5.582642 16.15230 
1 1 1   -5    5   10 o  598.074   8.2718  2338.94   56.867  2264.12   64.550  2598.36  120.190  577.784   8.2441  618.364   14.343 -40.58014 16.54359 
1 1 1   -5    5   11 f  318.590   5.8947  688.624   23.853  689.000   29.054  687.846   41.778  318.780   6.7257  318.401   9.6826 0.3789368 11.78932 
1 1 1   -5    5   12 o  752.723   10.803  3889.40  104.554  3973.35  129.655  3733.29  176.799  764.881   12.509  740.565   17.617 24.31604 21.60628 
1 1 1   -5    5   13 o  675.930   7.9925  3101.56   73.207  3127.38  104.046  3076.24  103.023  678.715   11.312  673.145   11.294 5.570129 15.98508 
1 1 1   -5    5   14 o  373.190   5.2185  944.229   26.388  925.512   37.002  963.600   37.642  369.427   7.3912  376.953   7.3689 -7.525879 10.43695 
1 1 1   -5    5   15 o  466.087   6.0255  1473.61   38.057  1468.47   53.735  1478.78   53.908  465.272   8.5225  466.902   8.5201 -1.630829 12.05094 
1 1 1   -5    5   16 o  527.899   6.5767  1890.77   47.047  1880.57   66.349  1901.09   66.723  526.467   9.2999  529.331   9.3017 -2.863953 13.15331 
1 1 1   -5    5   17 o  441.488   5.7934  1322.05   34.660  1321.94   49.037  1322.16   48.997  441.470   8.1967  441.507   8.1894 -0.3619385E-01 11.58671 
1 1 1   -5    5   18 o  363.905   5.1459  897.977   25.376  890.167   35.777  905.883   35.998  362.312   7.2869  365.497   7.2680 -3.185181 10.29187 
1 1 1   -5    5   19 o  135.243   3.9602  124.010   7.2568  122.296   10.307  125.694   10.218  134.316   5.6630  136.170   5.5375 -1.854691 7.920428 
1 1 1   -5    5   20 o  304.645   6.6846  629.232   27.596  629.232   27.596   0.0000   0.0000  304.645   6.6846  ?   ?       ?      ? 
1 1 1   -5    5   21 f  465.765   6.0378  1471.12   38.107  1490.21   54.236  1452.50   53.552  468.749   8.5382  462.780   8.5393 5.968597 12.07564 
1 1 1   -5    5   22 o  461.027   8.4846  1441.41   53.008  1441.41   53.008   0.0000   0.0000  461.027   8.4846  ?   ?       ?      ? 
1 1 1   -5    5   23 o  636.728   7.6627  2750.62   66.117  2760.80   93.698  2740.52   93.311  637.902   10.839  635.555   10.834 2.346497 15.32539 
1 1 1   -5    5   24 o  862.275   12.157  5060.53  133.951  5031.56  231.526  5075.10  164.228  859.974   19.867  864.576   14.017 -4.601440 24.31416 
1 1 1   -5    5   25 o  738.178   12.264  3697.48  122.683  3697.48  122.683   0.0000   0.0000  738.178   12.264  ?   ?       ?      ? 
1 1 1   -5    5   26 f  939.854   13.213  6142.94  161.983  6593.15  207.601  5442.29  258.986  985.351   15.547  894.356   21.369 90.99493 26.42633 
1 1 1   -5    5   27 o  749.109   10.797  3897.08  105.305  4166.03  134.419  3469.75  169.433  783.573   12.659  714.645   17.495 68.92853 21.59496 
1 1 1   -5    5   28 o  602.871   8.9200  2427.68   68.154  2360.89   82.302  2573.45  121.578  590.017   10.293  615.726   14.571 -25.70892 17.84003 
1 1 1   -5    5   29 o  693.913   8.2196  3262.68   77.247  3156.65  107.054  3377.85  111.574  682.167   11.581  705.658   11.668 -23.49072 16.43913 
1 1 1   -5    5   30 o  437.338   7.1626  1274.20   39.508  1236.48   47.480  1359.11   71.231  427.065   8.2041  447.611   11.743 -20.54605 14.32516 
1 1 1   -5    5   31 o  597.174   8.9473  2395.60   67.657  2353.54   81.820  2486.56  120.312  589.104   10.249  605.243   14.669 -16.13873 17.89466 
1 1 1   -5    5   32 o  661.689   7.9326  2963.95   71.056  2836.79   97.837  3105.88  103.368  646.704   11.164  676.674   11.273 -29.97034 15.86517 
1 1 1   -5    5   33 o  595.773   7.2928  2407.18   58.878  2423.14   83.509  2391.41   83.025  597.736   10.310  593.809   10.318 3.927673 14.58566 
1 1 1   -5    5   34 o  645.500   10.982  2826.35   96.066  2826.35   96.066   0.0000   0.0000  645.500   10.982  ?   ?       ?      ? 
1 1 1   -5    5   35 o  620.753   9.2087  2618.88   73.241  2603.80  125.929  2626.58   90.034  619.234   15.007  622.271   10.677 -3.037354 18.41743 
1 1 1   -5    5   36 o  935.117   15.092  5940.62  191.037  6217.23  278.266  5694.01  262.736  955.636   21.487  914.598   21.199 41.03735 30.18429 
1 1 1   -5    5   37 o  1028.91   14.307  7231.38  188.861  7123.35  322.949  7287.53  232.823  1022.29   23.312  1035.52   16.591 -13.22827 28.61319 
1 1 1   -5    5   38 o  895.307   14.525  5444.64  176.221  5444.64  176.221   0.0000   0.0000  895.307   14.525  ?   ?       ?      ? 
1 1 1   -5    5   39 o  285.164   4.8167  550.960   18.606  573.525   26.660  529.535   25.978  290.854   6.7640  279.475   6.8592 11.37912 9.633320 
1 1 1   -5    5   40 f  578.369   7.1558  2268.81   56.074  2317.97   80.232  2221.86   78.403  584.490   10.129  572.247   10.110 12.24310 14.31166 
1 1 1   -5    5   41 o  206.527   5.5838  291.324   14.641  283.305   25.490  295.272   17.885  204.358   9.2045  208.695   6.3240 -4.337006 11.16759 
1 1 1   -5    5   42 o  298.918   5.9933  594.617   22.735  638.458   40.569  574.545   27.451  306.745   9.7597  291.090   6.9590 15.65546 11.98658 
1 1 1   -5    5   43 o  211.364   4.5057  302.900   12.905  304.037   18.288  301.772   18.214  211.759   6.3729  210.969   6.3711 0.7901001 9.011366 
1 1 1   -5    5   44 o  247.911   4.6247  416.501   15.532  403.983   21.674  429.718   22.270  244.083   6.5526  251.738   6.5281 -7.655106 9.249475 
1 1 1   -5    5   45 o  357.276   5.2922  865.286   25.614  840.638   35.707  891.416   36.765  352.038   7.4847  362.514   7.4839 -10.47659 10.58442 
1 1 1   -5    5   46 o  521.252   6.6686  1844.35   47.102  1866.58   66.955  1822.58   66.275  524.362   9.4226  518.142   9.4389 6.219238 13.33710 
1 1 1   -5    5   47 o  299.473   6.9472  608.364   28.193  608.364   28.193   0.0000   0.0000  299.473   6.9472  ?   ?       ?      ? 
1 1 1   -5    5   48 o  312.284   7.0832  661.638   29.975  661.638   29.975   0.0000   0.0000  312.284   7.0832  ?   ?       ?      ? 
1 1 1   -5    5   49 o  203.665   4.5413  281.383   12.534  282.470   17.742  280.300   17.709  204.058   6.4160  203.272   6.4287 0.7857666 9.082557 
1 1 1   -5    5   50 o  462.678   8.6978  1453.89   54.534  1453.89   54.534   0.0000   0.0000  462.678   8.6978  ?   ?       ?      ? 
1 1 1   -5    5   51 o  343.727   5.2468  800.865   24.420  845.318   35.254  759.862   33.858  352.887   7.3720  334.566   7.4679 18.32040 10.49357 
1 1 1   -5    5   52 o  440.876   5.9919  1320.02   35.793  1294.36   50.083  1346.79   51.171  436.500   8.4669  445.251   8.4808 -8.750427 11.98386 
1 1 1   -5    5   53 o  298.296   4.9867  603.481   20.147  630.708   28.982  578.020   28.026  304.803   7.0165  291.788   7.0878 13.01471 9.973359 
1 1 1   -5    5   54 f  166.852   5.5442  183.236   11.802  206.389   21.045  172.613   14.255  174.239   8.9128  159.465   6.5967 14.77428 11.08845 
1 1 1   -5    5   55 o  360.819   5.3888  883.716   26.338  915.531   37.850  853.847   36.674  367.112   7.6082  354.526   7.6336 12.58594 10.77763 
1 1 1   -5    5   56 o  306.718   5.0432  636.971   20.925  690.258   30.513  589.662   28.751  318.797   7.0630  294.638   7.2007 24.15829 10.08646 
1 1 1   -5    5   57 o  339.314   7.4855  782.325   34.420  782.325   34.420   0.0000   0.0000  339.314   7.4855  ?   ?       ?      ? 
1 1 1   -5    5   58 o  175.084   5.6739  210.893   12.701  200.821   21.679  216.156   15.672  171.758   9.3141  178.409   6.4822 -6.651093 11.34775 
1 1 1   -5    5   59 o  371.679   5.4922  938.815   27.656  966.706   39.572  912.187   38.667  377.076   7.7443  366.282   7.7900 10.79465 10.98445 
1 1 1   -5    5   60 o  258.250   4.8224  453.119   16.876  448.218   23.734  458.130   24.000  256.838   6.8192  259.663   6.8206 -2.824310 9.644766 
1 1 1   -5    5   61 o  243.996   4.7757  403.294   15.758  369.140   21.674  441.591   22.951  233.061   6.8624  254.932   6.6434 -21.87128 9.551332 
1 1 1   -5    5   62 o  136.274   4.9222  126.438   9.0557  140.123   12.883  113.072   12.732  143.595   6.6205  128.952   7.2858 14.64331 9.844482 
1 1 1   -5    5   63 o  191.071   5.9249  245.766   14.141  241.415   16.908  255.890   25.794  188.467   6.6203  193.676   9.8280 -5.208603 11.84981 
1 1 1   -5    5   64 o  153.399   4.8358  160.216   10.035  170.066   14.142  150.224   14.243  158.173   6.5976  148.624   7.0718 9.548752 9.671559 
1 1 1   -5    5   65 o  225.412   5.6479  334.518   16.352  312.186   19.857  381.565   28.821  214.261   6.8389  236.564   8.9903 -22.30290 11.29585 
1 1 1   -5    5   66 o  164.901   4.8889  184.935   10.919  176.787   15.332  193.321   15.555  161.206   7.0182  168.596   6.8082 -7.389572 9.777838 
1 1 1   -5    5   67 o  140.864   5.0119  134.999   9.5413  148.646   13.674  122.049   13.320  147.823   6.8259  133.906   7.3405 13.91750 10.02379 
1 1 1   -5    5   68 o   65.028   7.6395   29.428   6.5671   26.924   9.2809   31.939   9.2937   61.706   11.523   68.351   10.034 -6.644974 15.27903 
1 1 1   -5    5   69 o  120.411   5.3158   98.960   8.6537   91.820   12.298  105.962   12.179  116.075   7.8186  124.748   7.2042 -8.673386 10.63162 
1 1 1   -5    5   70 o  137.086   6.4639  131.760   11.098  119.318   19.409  137.804   13.527  131.915   10.858  142.257   7.0171 -10.34143 12.92778 
1 1 1   -5    5   71 o  144.115   6.2685  145.154   11.436  132.564   19.655  151.598   14.061  139.046   10.431  149.184   6.9551 -10.13753 12.53708 
1 1 1   -5    5   72 f  111.713   6.7041   84.188   9.5923   89.385   16.751   81.653   11.701  114.057   10.838  109.369   7.8947 4.688019 13.40829 
1 1 1   -5    5   73 o  177.682   9.6341  216.539   23.197  216.539   23.197   0.0000   0.0000  177.682   9.6341  ?   ?       ?      ? 
1 1 1   -5    5   74 o  169.229   4.8908  194.911   11.176  219.219   16.224  172.961   15.417  179.285   6.6778  159.174   7.1474 20.11057 9.781531 
1 1 1   -5    5   75 o  121.657   5.3270  101.222   8.7816   99.954   12.434  102.484   12.404  120.888   7.5899  122.425   7.4768 -1.537437 10.65409 
1 1 1   -5    5   76 o  299.561   5.2011  614.044   21.113  620.839   29.896  607.282   29.821  301.227   7.3237  297.895   7.3871 3.332092 10.40224 
1 1 1   -5    5   77 o  171.436   6.2137  196.498   13.431  187.101   16.085  218.135   24.407  165.304   7.1806  177.568   10.143 -12.26416 12.42749 
1 1 1   -5    5   78 o  188.777   4.9186  243.741   12.565  226.608   17.425  262.304   18.137  181.842   7.0711  195.712   6.8387 -13.86998 9.837106 
1 1 1   -5    5   79 o  123.506   6.2738  100.677   10.060  122.148   17.463   90.012   12.308  132.673   9.7131  114.339   7.9433 18.33442 12.54753 
1 1 1   -5    5   80 f  153.255   7.2164  164.239   14.952  174.149   20.942  153.936   21.354  158.166   9.7706  148.344   10.623 9.821609 14.43279 
1 1 1   -5    5   81 o  162.135   6.0835  171.423   12.443  154.392   14.782  212.839   23.051  149.679   7.2877  174.592   9.7428 -24.91283 12.16693 
1 1 1   -5    5   82 o  102.340   5.6519   72.571   7.8367   71.561   10.950   73.631   11.220  101.622   7.9515  103.058   8.0341 -1.435623 11.30374 
1 1 1   -5    5   83 o   70.352   7.0518   34.836   6.6806   29.922   9.2589   40.172   9.6487   65.034   10.506   75.670   9.4093 -10.63687 14.10359 
1 1 1   -5    5   84 o   32.252   9.3501   3.5619   6.5753  -1.4265   11.001   6.3343   8.2014   30.742   13.551   33.762   12.887 -3.020439 18.70030 
1 1 1   -5    5   85 o   55.744   12.677   23.494   9.3599   0.0000   0.0000   23.494   9.3599  ?   ?    55.744   12.677      ?      ? 
1 1 1   -5    5   86 o  107.585   7.5626   91.492   9.8058   57.829   15.877  112.253   12.468   88.257   13.275  126.914   7.2495 -38.65773 15.12528 
1 1 1   -5    5   87 o   90.317   8.4355   65.661   8.9094   44.383   14.685   78.055   11.208   75.204   14.936  105.430   7.8446 -30.22643 16.87099 
1 1 1   -5    5   88 o   88.226   7.5017   55.604   8.5310   59.562   14.662   53.579   10.489   89.698   12.062   86.754   8.9223 2.943924 15.00335 
1 1 1   -5    5   89 o   55.834   11.450   25.983   9.3104   30.007   12.642   21.213   13.764   60.778   15.346   50.889   16.999 9.889690 22.90088 
1 1 1   -5    5   90 o   44.615   11.366   15.244   8.7204   15.158   11.473   15.361   13.419   44.251   15.498   44.979   16.629 -0.7287560 22.73139 
1 1 1   -5    5   91 o   55.344   10.782   21.887   9.4481   6.5186   12.215   44.775   14.907   36.634   15.137   74.054   15.358 -37.41927 21.56371 
1 1 1   -5    5   92 o   82.021   12.749   51.525   14.171   51.525   14.171   0.0000   0.0000   82.021   12.749  ?   ?       ?      ? 
1 1 1   -5    5   93 o   69.241   14.979   39.630   13.647   39.630   13.647   0.0000   0.0000   69.241   14.979  ?   ?       ?      ? 
1 1 1   -5    5   94 o   60.036   16.728   31.902   14.117   31.902   14.117   0.0000   0.0000   60.036   16.728  ?   ?       ?      ? 
1 1 1   -5    5   95 o   76.955   14.743   49.608   14.815   49.608   14.815   0.0000   0.0000   76.955   14.743  ?   ?       ?      ? 
1 1 1   -5    6    1 o  313.862   4.7411  667.946   20.165  674.402   28.540  661.511   28.495  315.377   6.6779  312.346   6.7320 3.030396 9.482290 
1 1 1   -5    6    2 o  160.462   3.9213  174.438   8.5233  167.809   11.903  181.414   12.211  157.335   5.5827  163.589   5.5081 -6.254730 7.842546 
1 1 1   -5    6    3 o  163.256   4.9991  182.968   10.278  174.612   18.081  186.957   12.492  160.444   8.3159  166.069   5.5508 -5.624939 9.998283 
1 1 1   -5    6    4 o  311.456   6.8252  657.718   28.795  636.652   40.078  680.197   41.399  306.305   9.6553  316.608   9.6491 -10.30234 13.65031 
1 1 1   -5    6    5 o  261.093   5.4676  459.000   18.014  453.314   21.744  471.441   32.164  258.578   6.2054  263.608   9.0038 -5.030487 10.93511 
1 1 1   -5    6    6 o  204.988   4.1160  284.785   11.432  278.738   16.019  291.062   16.320  202.770   5.8296  207.205   5.8122 -4.434555 8.232037 
1 1 1   -5    6    7 o  301.316   4.6724  615.535   19.077  627.957   27.116  603.362   26.843  304.327   6.5752  298.305   6.6403 6.021271 9.344897 
1 1 1   -5    6    8 o  185.858   4.6917  234.135   11.817  234.135   11.817   0.0000   0.0000  185.858   4.6917  ?   ?       ?      ? 
1 1 1   -5    6    9 o  249.464   5.0319  421.834   17.011  421.834   17.011   0.0000   0.0000  249.464   5.0319  ?   ?       ?      ? 
1 1 1   -5    6   10 o  386.431   6.4608  986.250   31.784  938.437   38.376  1090.69   56.719  371.989   7.6128  400.873   10.441 -28.88397 12.92157 
1 1 1   -5    6   11 o  466.658   6.8985  1461.70   37.782  1445.99   43.517  1509.78   76.144  461.790   6.9540  471.525   11.916 -9.734985 13.79705 
1 1 1   -5    6   12 o  517.146   8.0103  1854.43   53.864  1969.53   68.492  1667.85   87.204  538.786   9.3809  495.507   12.987 43.27902 16.02062 
1 1 1   -5    6   13 o  461.015   5.9695  1441.59   37.294  1442.29   52.727  1440.89   52.755  461.126   8.4378  460.903   8.4464 0.2234192 11.93898 
1 1 1   -5    6   17 o  546.465   9.6042  2025.70   71.122   0.0000   0.0000  2025.70   71.122  ?   ?   546.465   9.6042      ?      ? 
1 1 1   -5    6   19 o  497.676   6.3222  1678.30   42.621  1626.35   59.278  1733.89   61.323  489.711   8.9325  505.641   8.9494 -15.93011 12.64446 
1 1 1   -5    6   20 o  284.666   6.5324  549.308   25.199  549.308   25.199   0.0000   0.0000  284.666   6.5324  ?   ?       ?      ? 
1 1 1   -5    6   21 o  555.715   13.832  2096.36  104.168  2096.36  104.168   0.0000   0.0000  555.715   13.832  ?   ?       ?      ? 
1 1 1   -5    6   22 o  674.073   16.104  3086.06  147.102  3086.06  147.102   0.0000   0.0000  674.073   16.104  ?   ?       ?      ? 
1 1 1   -5    6   23 f  843.753   11.852  4767.85  126.533  4650.70  152.687  5024.67  226.079  827.799   13.611  859.707   19.406 -31.90802 23.70315 
1 1 1   -5    6   24 o  799.697   11.297  4250.99  113.769  4102.87  136.399  4589.63  206.241  777.592   12.944  821.803   18.519 -44.21033 22.59469 
1 1 1   -5    6   25 o  691.871   9.9823  3216.67   87.776  3157.80  106.496  3341.37  155.007  682.294   11.518  701.449   16.307 -19.15509 19.96455 
1 1 1   -5    6   26 f  608.209   7.3881  2508.74   60.893  2501.44   85.984  2516.07   86.247  607.323   10.448  609.096   10.449 -1.773560 14.77614 
1 1 1   -5    6   27 o  256.027   4.5232  444.032   15.688  460.300   22.477  428.578   21.907  260.598   6.3647  251.457   6.4288 9.141068 9.046457 
1 1 1   -5    6   28 o  400.042   11.214  1085.48   60.791   0.0000   0.0000  1085.48   60.791  ?   ?   400.042   11.214      ?      ? 
1 1 1   -5    6   29 o  650.832   9.5897  2841.95   78.972  2785.36   95.390  2965.23  140.796  640.826   10.985  660.838   15.722 -20.01160 19.17933 
1 1 1   -5    6   30 o  608.725   7.4062  2512.41   61.085  2470.10   85.511  2556.50   87.292  603.494   10.456  613.956   10.492 -10.46198 14.81246 
1 1 1   -5    6   31 o  624.944   9.2269  2647.71   73.798  2642.33   90.501  2658.39  127.492  624.155   10.700  625.733   15.035 -1.578003 18.45384 
1 1 1   -5    6   32 o  1031.93   16.510  7248.61  230.811  7086.91  321.764  7420.01  331.275  1020.10   23.276  1043.76   23.421 -23.66528 33.01997 
1 1 1   -5    6   33 o  702.887   10.205  3333.16   91.391  3416.91  160.104  3292.67  111.307  709.153   16.660  696.621   11.791 12.53119 20.41046 
1 1 1   -5    6   34 o  608.399   9.1107  2539.94   71.439  2421.46  119.997  2604.99   88.913  597.114   14.830  619.683   10.588 -22.56842 18.22149 
1 1 1   -5    6   35 o  674.374   11.416  3085.96  104.326  3085.96  104.326   0.0000   0.0000  674.374   11.416  ?   ?       ?      ? 
1 1 1   -5    6   36 o  536.268   9.5670  1950.71   69.525  1950.71   69.525   0.0000   0.0000  536.268   9.5670  ?   ?       ?      ? 
1 1 1   -5    6   37 o  401.535   5.6190  1092.01   30.557  1138.19   44.101  1049.37   42.377  409.691   7.9435  393.379   7.9494 16.31180 11.23803 
1 1 1   -5    6   38 o  202.211   4.4985  277.071   12.323  282.757   17.691  271.710   17.177  204.225   6.3922  200.197   6.3314 4.028137 8.997014 
1 1 1   -5    6   39 o  615.686   9.2298  2567.31   72.323  2596.00  126.544  2553.39   88.136  617.982   15.111  613.391   10.603 4.590881 18.45961 
1 1 1   -5    6   40 o  653.851   9.6800  2898.09   80.616  2925.14  140.767  2884.89   98.340  655.801   15.840  651.899   11.132 3.901855 19.36007 
1 1 1   -5    6   41 o  700.220   8.3383  3329.40   79.117  3365.43  112.593  3294.25  111.197  703.961   11.803  696.479   11.782 7.482178 16.67655 
1 1 1   -5    6   42 o  473.167   6.2477  1517.89   40.044  1473.93   55.688  1564.96   57.623  466.080   8.8169  480.255   8.8541 -14.17487 12.49532 
1 1 1   -5    6   43 o  355.615   5.3056  857.635   25.565  876.857   36.421  838.966   35.893  359.544   7.4751  351.687   7.5314 7.856964 10.61125 
1 1 1   -5    6   44 o  290.775   4.8698  572.771   19.177  546.924   26.625  600.633   27.643  283.965   6.9190  297.584   6.8548 -13.61926 9.739664 
1 1 1   -5    6   45 o  318.100   6.2639  688.420   25.270  691.289   30.766  682.471   44.301  319.225   7.1120  316.976   10.313 2.248962 12.52782 
1 1 1   -5    6   46 f  387.110   7.8183  1016.95   41.014  1016.95   41.014   0.0000   0.0000  387.110   7.8183  ?   ?       ?      ? 
1 1 1   -5    6   47 o  382.014   6.8765  1028.42   34.105  1161.77   44.303  834.432   53.434  413.718   7.9022  350.309   11.256 63.40915 13.75291 
1 1 1   -5    6   48 o  200.695   4.5857  272.933   12.457  292.064   17.932  255.087   17.319  207.488   6.3775  193.901   6.5912 13.58719 9.171453 
1 1 1   -5    6   49 o  164.333   4.5688  183.199   10.173  187.047   14.487  179.455   14.289  166.036   6.4386  162.630   6.4838 3.406006 9.137536 
1 1 1   -5    6   50 o  246.570   4.6977  412.560   15.696  408.449   22.105  416.742   22.292  245.330   6.6491  247.809   6.6380 -2.478729 9.395450 
1 1 1   -5    6   51 o  351.393   5.3114  838.409   25.292  831.763   35.644  845.147   35.892  349.990   7.5154  352.796   7.5074 -2.805328 10.62277 
1 1 1   -5    6   52 o  156.320   4.6701  165.871   9.8628  149.126   13.774  183.490   14.129  148.212   6.8580  164.428   6.3409 -16.21541 9.340179 
1 1 1   -5    6   53 o  313.549   10.157  669.122   43.157  669.122   43.157   0.0000   0.0000  313.549   10.157  ?   ?       ?      ? 
1 1 1   -5    6   54 o  409.048   11.527  1140.68   63.894  1140.68   63.894   0.0000   0.0000  409.048   11.527  ?   ?       ?      ? 
1 1 1   -5    6   55 o  178.830   4.6113  217.138   11.170  208.418   15.716  226.039   15.878  175.196   6.6197  182.463   6.4214 -7.267349 9.222569 
1 1 1   -5    6   56 o  107.888   6.3664   80.378   8.7230   75.754   15.043   82.720   10.707  105.433   10.529  110.344   7.1603 -4.911392 12.73276 
1 1 1   -5    6   57 o  294.045   4.9819  587.434   19.851  591.347   28.141  583.559   28.007  295.020   7.0389  293.069   7.0520 1.950836 9.963771 
1 1 1   -5    6   58 o  265.322   4.8634  478.304   17.486  473.751   24.720  482.863   24.737  264.055   6.9084  266.589   6.8472 -2.533844 9.726758 
1 1 1   -5    6   59 o  430.436   5.9665  1260.28   34.794  1291.81   49.847  1230.31   48.589  435.684   8.4428  425.188   8.4329 10.49585 11.93293 
1 1 1   -5    6   60 o  341.579   5.3185  793.445   24.618  797.199   34.940  789.743   34.692  342.380   7.5306  340.779   7.5123 1.601837 10.63692 
1 1 1   -5    6   61 o  283.580   6.2250  553.825   22.481  566.099   27.616  529.708   38.710  288.557   7.0622  278.604   10.253 9.952515 12.44993 
1 1 1   -5    6   62 o  388.241   7.0108  1029.95   34.617  1032.73   42.255  1024.28   60.367  389.512   8.0052  386.970   11.512 2.542542 14.02151 
1 1 1   -5    6   63 o  340.362   5.3242  787.404   24.543  755.286   34.085  821.991   35.370  333.158   7.5496  347.567   7.5096 -14.40842 10.64849 
1 1 1   -5    6   64 o  102.531   6.3742   68.245   8.5941   58.264   10.687   86.508   14.457   92.467   8.5291  112.596   9.4751 -20.12926 12.74844 
1 1 1   -5    6   65 o  181.363   5.9309  234.721   13.793  267.030   17.714  184.954   21.985  198.165   6.5963  164.561   9.8586 33.60448 11.86180 
1 1 1   -5    6   66 o  201.942   4.7823  277.401   13.087  278.865   18.523  275.942   18.494  202.475   6.7507  201.408   6.7758 1.067047 9.564686 
1 1 1   -5    6   67 o  157.689   4.8833  169.246   10.425  159.883   14.670  178.797   14.817  153.267   7.0634  162.111   6.7449 -8.844391 9.766508 
1 1 1   -5    6   68 o  140.066   5.0358  133.402   9.5480  142.434   13.755  125.001   13.265  144.646   7.0171  135.486   7.2247 9.160172 10.07154 
1 1 1   -5    6   69 o  131.798   5.1986  118.346   9.2817  118.646   13.310  118.062   12.950  131.952   7.4438  131.645   7.2589 0.3071136 10.39723 
1 1 1   -5    6   70 o  220.871   6.1941  341.355   17.243  310.790   29.855  356.654   21.122  212.904   10.348  228.839   6.8112 -15.93410 12.38820 
1 1 1   -5    6   71 o  219.532   5.9291  317.192   16.566  364.581   29.786  295.967   19.934  230.695   9.5278  208.369   7.0596 22.32533 11.85822 
1 1 1   -5    6   72 o  286.250   5.1132  559.082   19.834  552.388   27.997  565.826   28.101  284.522   7.2614  287.978   7.2007 -3.456818 10.22633 
1 1 1   -5    6   73 o  144.783   5.1005  143.282   9.9921  134.427   14.141  152.111   14.121  140.276   7.4391  149.291   6.9798 -9.014740 10.20090 
1 1 1   -5    6   74 o  133.298   5.1402  121.390   9.2794  127.502   13.269  115.540   12.982  136.596   7.1684  130.000   7.3689 6.596542 10.28041 
1 1 1   -5    6   75 o   62.093   8.0840   27.455   6.6036   31.537   9.2293   23.173   9.4526   67.592   10.076   56.593   12.644 10.99924 16.16794 
1 1 1   -5    6   76 o  134.833   6.6559  126.618   11.066  128.388   13.220  122.477   20.226  136.938   7.1241  132.727   11.245 4.210861 13.31177 
1 1 1   -5    6   77 o   59.475   8.1141   25.076   6.3687   18.666   8.7207   32.401   9.3229   50.590   12.731   68.359   10.064 -17.76931 16.22820 
1 1 1   -5    6   78 o   73.810   6.7376   37.812   6.7320   39.422   9.4657   36.164   9.5761   75.449   9.2580   72.172   9.7913 3.277046 13.47519 
1 1 1   -5    6   79 o   83.852   6.6781   50.067   7.2874   65.605   10.298   34.479   10.314   97.549   7.7899   70.154   10.849 27.39536 13.35624 
1 1 1   -5    6   80 o   55.284   9.4632   20.797   6.8885   15.009   8.5363   31.601   11.664   45.261   13.141   65.306   13.620 -20.04512 18.92641 
1 1 1   -5    6   81 o   94.910   5.8538   62.528   7.5046   69.280   10.758   56.127   10.474   99.992   7.9396   89.828   8.6042 10.16431 11.70762 
1 1 1   -5    6   82 o  122.323   5.3001  103.696   8.7716   96.384   12.328  111.193   12.483  117.873   7.7180  126.773   7.2662 -8.899757 10.60026 
1 1 1   -5    6   83 o  142.271   6.2305  142.771   11.378  138.876   19.307  144.844   14.084  139.983   10.178  144.560   7.1892 -4.577133 12.46101 
1 1 1   -5    6   84 o   64.264   11.689   30.602   9.8041   0.0000   0.0000   30.602   9.8041  ?   ?    64.264   11.689      ?      ? 
1 1 1   -5    6   85 o   86.160   13.946   55.594   16.283   0.0000   0.0000   55.594   16.283  ?   ?    86.160   13.946      ?      ? 
1 1 1   -5    6   86 o   64.555   9.4144   33.220   7.6751   26.746   13.025   36.664   9.4996   57.543   16.080   71.567   9.7952 -14.02348 18.82887 
1 1 1   -5    6   87 o   49.822   10.020   19.562   6.9170   18.987   11.701   19.871   8.5760   48.887   15.631   50.757   12.541 -1.870659 20.04030 
1 1 1   -5    6   88 o   63.394   11.489   33.503   9.8529   35.229   12.750   30.945   15.524   66.539   14.546   60.250   17.788 6.289165 22.97799 
1 1 1   -5    6   89 o   34.076   10.386   1.6457   8.4473  -1.6229   10.608   7.3094   13.964   29.343   13.098   38.808   16.122 -9.465849 20.77205 
1 1 1   -5    6   90 o   83.327   9.8309   54.015   10.721   52.169   14.058   56.581   16.574   82.981   12.501   83.674   15.176 -0.6934052 19.66188 
1 1 1   -5    6   91 o   70.107   11.005   40.138   10.131   35.258   13.424   46.595   15.442   65.186   15.435   75.028   15.692 -9.841621 22.01092 
1 1 1   -5    6   92 o   57.177   15.677   27.744   12.510   27.744   12.510   0.0000   0.0000   57.177   15.677  ?   ?       ?      ? 
1 1 1   -5    6   93 o   50.170   15.943   21.704   12.187   21.704   12.187   0.0000   0.0000   50.170   15.943  ?   ?       ?      ? 
1 1 1   -5    6   94 o   58.329   16.206   30.165   13.269   30.165   13.269   0.0000   0.0000   58.329   16.206  ?   ?       ?      ? 
1 1 1   -5    6   95 o   47.270   17.012   20.336   13.908   20.336   13.908   0.0000   0.0000   47.270   17.012  ?   ?       ?      ? 
1 1 1   -5    7    1 o  290.762   4.6286  573.103   18.234  589.412   25.915  557.113   25.660  294.859   6.4856  286.664   6.6054 8.195892 9.257145 
1 1 1   -5    7    2 f  248.126   6.1550  417.358   20.696  417.358   20.696   0.0000   0.0000  248.126   6.1550  ?   ?       ?      ? 
1 1 1   -5    7    3 o  253.542   9.0724  436.031   31.171   0.0000   0.0000  436.031   31.171  ?   ?   253.542   9.0724      ?      ? 
1 1 1   -5    7    4 o  282.122   5.6438  525.930   19.985  504.560   23.863  576.119   36.570  272.812   6.4547  291.433   9.2598 -18.62143 11.28750 
1 1 1   -5    7    5 o  430.876   5.7308  1258.85   33.459  1246.86   46.972  1271.19   47.673  428.796   8.0836  432.957   8.1255 -4.160706 11.46158 
1 1 1   -5    7    6 o  583.869   7.1453  2312.81   56.534  2305.10   79.735  2320.61   80.170  582.891   10.094  584.847   10.116 -1.955994 14.29055 
1 1 1   -5    7    8 o  381.675   6.5695  970.858   31.677  1035.41   56.930  941.912   38.124  390.635   10.755  372.715   7.5480 17.91971 13.13895 
1 1 1   -5    7    9 o  501.563   9.0742  1706.22   61.676  1706.22   61.676   0.0000   0.0000  501.563   9.0742  ?   ?       ?      ? 
1 1 1   -5    7   10 o  356.232   5.9508  860.197   28.727  860.197   28.727   0.0000   0.0000  356.232   5.9508  ?   ?       ?      ? 
1 1 1   -5    7   11 o  456.295   6.9032  1442.20   37.595  1477.26   44.082  1348.66   72.000  466.803   6.9686  445.787   11.919 21.01624 13.80630 
1 1 1   -5    7   12 f  609.437   9.1081  2574.96   72.214  2736.19   91.901  2314.76  116.754  635.077   10.679  583.797   14.758 51.28070 18.21617 
1 1 1   -5    7   13 o  722.241   9.7552  3502.30   82.247  3465.04   94.487  3618.80  167.086  714.762   9.7550  729.721   16.897 -14.95862 19.51044 
1 1 1   -5    7   14 o  722.413   9.7690  3491.71   82.239  3443.78   94.328  3643.58  167.903  712.576   9.7685  732.250   16.921 -19.67322 19.53793 
1 1 1   -5    7   15 o  727.916   9.8451  3583.39   84.209  3569.84   97.217  3624.12  168.517  725.508   9.8882  730.323   17.027 -4.815674 19.69024 
1 1 1   -5    7   16 o  395.835   5.4564  1061.80   29.262  1088.77   41.867  1036.04   40.916  400.748   7.7094  390.923   7.7235 9.824982 10.91271 
1 1 1   -5    7   17 o  372.475   6.3780  935.673   30.413  925.493   37.227  956.104   52.739  369.489   7.4349  375.461   10.365 -5.972015 12.75603 
1 1 1   -5    7   18 o  428.654   8.1559  1229.06   47.036  1406.92   71.858  1095.72   62.217  455.405   11.644  401.903   11.424 53.50131 16.31180 
1 1 1   -5    7   19 o  376.601   7.5123  961.844   38.322  964.620   55.057  959.235   53.372  377.123   10.773  376.079   10.473 1.043762 15.02462 
1 1 1   -5    7   20 o  153.451   7.9163  159.634   16.462   0.0000   0.0000  159.634   16.462  ?   ?   153.451   7.9163      ?      ? 
1 1 1   -5    7   21 o  498.965   6.3853  1688.04   43.174  1682.44   60.843  1693.72   61.275  498.133   9.0132  499.798   9.0471 -1.665009 12.77059 
1 1 1   -5    7   22 o  713.604   8.4317  3453.90   81.530  3498.96  116.281  3410.32  114.344  718.180   11.948  709.029   11.901 9.151306 16.86349 
1 1 1   -5    7   23 o  733.133   12.216  3646.37  121.368  3646.37  121.368   0.0000   0.0000  733.133   12.216  ?   ?       ?      ? 
1 1 1   -5    7   24 o  682.869   8.1133  3163.07   75.079  3158.52  106.103  3167.63  106.252  682.378   11.474  683.361   11.474 -0.9830322 16.22657 
1 1 1   -5    7   25 o  911.248   20.918  5647.31  258.313   0.0000   0.0000  5647.31  258.313  ?   ?   911.248   20.918      ?      ? 
1 1 1   -5    7   26 o  891.950   20.574  5410.37  248.678   0.0000   0.0000  5410.37  248.678  ?   ?   891.950   20.574      ?      ? 
1 1 1   -5    7   27 o  454.223   8.3943  1399.67   51.669  1390.01   72.858  1409.43   73.286  452.647   11.878  455.799   11.865 -3.152283 16.78860 
1 1 1   -5    7   28 o  525.036   8.0676  1852.29   53.971  1921.88   94.815  1818.94   65.645  532.158   13.148  517.913   9.3532 14.24475 16.13523 
1 1 1   -5    7   29 o  794.314   13.073  4282.04  140.715  4282.04  140.715   0.0000   0.0000  794.314   13.073  ?   ?       ?      ? 
1 1 1   -5    7   30 f  861.050   12.138  5010.78  133.147  5119.75  233.081  4958.00  162.221  867.533   19.826  854.567   14.008 12.96527 24.27556 
1 1 1   -5    7   31 o  476.127   7.6282  1562.02   46.918  1455.51   77.922  1622.59   58.764  463.100   12.417  489.155   8.8650 -26.05511 15.25646 
1 1 1   -5    7   32 o  356.771   5.2657  862.841   25.456  874.698   36.284  851.347   35.724  359.184   7.4543  354.358   7.4394 4.826355 10.53146 
1 1 1   -5    7   33 o  350.234   5.2226  831.350   24.782  808.970   34.684  854.691   35.421  345.420   7.4097  355.049   7.3619 -9.628540 10.44515 
1 1 1   -5    7   34 o  440.380   5.9197  1313.85   35.309  1264.92   49.052  1366.48   50.867  431.879   8.3813  448.882   8.3622 -17.00360 11.83948 
1 1 1   -5    7   35 o  248.464   4.6542  418.628   15.665  405.503   22.147  431.771   22.161  244.563   6.6825  252.364   6.4801 -7.801605 9.308480 
1 1 1   -5    7   36 o  631.581   7.6725  2707.02   65.665  2680.08   92.404  2734.51   93.331  628.407   10.851  634.756   10.850 -6.348450 15.34500 
1 1 1   -5    7   37 o  417.288   7.1069  1185.17   37.769  1171.11   65.625  1192.13   46.184  415.325   11.660  419.250   8.1290 -3.925140 14.21386 
1 1 1   -5    7   38 o  713.232   10.453  3499.06   96.005  3325.98  161.377  3593.87  119.440  699.018   17.036  727.446   12.116 -28.42847 20.90528 
1 1 1   -5    7   40 f  436.179   8.3805  1290.77   49.535  1290.77   49.535   0.0000   0.0000  436.179   8.3805  ?   ?       ?      ? 
1 1 1   -5    7   41 o  327.025   5.1074  725.407   22.633  721.931   32.069  728.856   31.948  326.243   7.2537  327.807   7.1919 -1.563843 10.21473 
1 1 1   -5    7   42 o  281.528   4.8419  536.998   18.462  559.368   26.607  516.227   25.638  287.177   6.8369  275.879   6.8579 11.29718 9.683710 
1 1 1   -5    7   43 o  330.720   6.4301  745.895   26.965  752.125   32.862  733.053   47.180  332.961   7.2830  328.479   10.599 4.481476 12.86013 
1 1 1   -5    7   44 o  421.897   7.1867  1196.47   38.398  1173.93   46.431  1245.23   68.298  415.873   8.2388  427.922   11.778 -12.04929 14.37331 
1 1 1   -5    7   45 o  636.231   9.4224  2672.34   75.231  2543.13   89.694  2978.90  138.160  611.629   10.822  660.832   15.428 -49.20270 18.84488 
1 1 1   -5    7   46 o  149.008   5.5369  150.913   10.854  151.514   13.801  149.939   17.575  149.431   6.8152  148.584   8.7283 0.8463593 11.07384 
1 1 1   -5    7   47 o  525.777   9.5182  1878.70   67.817  1878.70   67.817   0.0000   0.0000  525.777   9.5182  ?   ?       ?      ? 
1 1 1   -5    7   48 o  368.434   7.6997  921.696   38.443  921.696   38.443   0.0000   0.0000  368.434   7.6997  ?   ?       ?      ? 
1 1 1   -5    7   49 o  344.428   5.2604  805.260   24.548  784.395   34.411  826.883   35.030  339.883   7.4711  348.973   7.4074 -9.090149 10.52079 
1 1 1   -5    7   50 o  269.792   4.8225  493.854   17.627  508.166   25.259  480.269   24.609  273.601   6.8126  265.984   6.8275 7.617157 9.645027 
1 1 1   -5    7   51 o  236.014   6.6995  378.156   21.427  378.156   21.427   0.0000   0.0000  236.014   6.6995  ?   ?       ?      ? 
1 1 1   -5    7   52 o  294.129   9.9166  588.821   39.526  588.821   39.526   0.0000   0.0000  294.129   9.9166  ?   ?       ?      ? 
1 1 1   -5    7   53 o  295.385   6.1688  604.888   23.335  556.888   39.319  630.987   28.993  285.971   10.146  304.799   7.0194 -18.82785 12.33761 
1 1 1   -5    7   54 o  420.736   11.800  1208.03   67.276  1208.03   67.276   0.0000   0.0000  420.736   11.800  ?   ?       ?      ? 
1 1 1   -5    7   55 o  191.626   6.5846  249.394   17.099  249.394   17.099   0.0000   0.0000  191.626   6.5846  ?   ?       ?      ? 
1 1 1   -5    7   56 o  146.124   4.7494  145.326   9.3648  129.116   13.170  161.908   13.319  137.846   7.0501  154.402   6.3657 -16.55595 9.498774 
1 1 1   -5    7   57 o  148.291   4.7988  149.240   9.6377  155.599   13.902  143.356   13.373  151.329   6.7792  145.253   6.7938 6.076477 9.597540 
1 1 1   -5    7   58 o  303.504   5.0703  626.195   20.853  621.714   29.482  630.682   29.501  302.414   7.1940  304.594   7.1471 -2.179871 10.14069 
1 1 1   -5    7   59 o  249.961   6.0630  424.935   19.194  424.024   23.308  426.854   33.835  249.763   6.8863  250.159   9.9808 -0.3956604 12.12594 
1 1 1   -5    7   60 o  316.443   6.4291  677.735   25.733  669.457   31.136  695.574   45.709  313.737   7.3235  319.149   10.569 -5.411713 12.85818 
1 1 1   -5    7   61 o  190.262   4.7508  245.855   12.243  256.485   17.612  235.917   17.030  194.240   6.6910  186.284   6.7460 7.956039 9.501501 
1 1 1   -5    7   62 o  247.033   4.8391  414.731   16.194  429.071   23.211  401.131   22.605  251.195   6.8187  242.872   6.8682 8.322662 9.678171 
1 1 1   -5    7   63 o  228.234   4.8509  353.634   14.982  328.133   20.743  381.445   21.662  219.634   6.9692  236.834   6.7494 -17.19958 9.701729 
1 1 1   -5    7   64 o  149.086   6.4063  164.443   11.885  204.167   15.446  106.776   18.610  173.271   6.5781  124.900   10.995 48.37149 12.81264 
1 1 1   -5    7   65 o  221.780   4.8257  334.645   14.497  321.271   20.405  348.275   20.599  217.292   6.9295  226.268   6.7181 -8.976578 9.651501 
1 1 1   -5    7   66 o  220.074   4.8244  329.506   14.379  313.801   20.166  345.751   20.509  214.726   6.9302  225.423   6.7136 -10.69708 9.648854 
1 1 1   -5    7   67 o   76.527   6.7217   39.850   6.9462   44.864   10.178   35.480   9.5032   81.028   9.2697   72.026   9.7364 9.002159 13.44340 
1 1 1   -5    7   68 o  203.686   4.8580  282.579   13.390  263.241   18.804  302.475   19.072  196.587   7.0583  210.786   6.6769 -14.19962 9.716059 
1 1 1   -5    7   69 o  192.671   6.8309  252.879   17.835   0.0000   0.0000  252.879   17.835  ?   ?   192.671   6.8309      ?      ? 
1 1 1   -5    7   70 o  130.205   6.3745  107.990   10.518  139.198   19.427   95.048   12.510  142.425   10.065  117.985   7.8246 24.44002 12.74899 
1 1 1   -5    7   71 o  123.997   5.3338  105.031   8.9602  103.093   12.733  106.932   12.611  122.850   7.6482  125.144   7.4365 -2.294159 10.66758 
1 1 1   -5    7   72 o  208.607   4.8779  296.889   13.785  307.521   19.710  286.710   19.287  212.271   6.8518  204.943   6.9446 7.328491 9.755782 
1 1 1   -5    7   73 o   51.807   9.1030   19.524   6.4360   15.328   9.2096   23.530   8.9979   46.401   13.701   57.213   11.989 -10.81234 18.20597 
1 1 1   -5    7   74 o  113.489   6.9618   86.409   9.9714   82.336   11.955   95.719   18.074  109.559   8.0526  117.419   11.359 -7.859909 13.92369 
1 1 1   -5    7   75 f  170.301   4.9716  198.598   11.470  193.007   16.193  204.230   16.251  167.873   7.1179  172.730   6.9427 -4.856796 9.943149 
1 1 1   -5    7   76 o  118.420   5.3718   96.396   8.6109   91.469   12.198  101.290   12.157  115.357   7.8031  121.482   7.3848 -6.125443 10.74358 
1 1 1   -5    7   77 o   36.108   9.1978   7.9666   5.7624   7.1042   8.2745   8.7787   8.0295   35.216   13.050   36.999   12.965 -1.782864 18.39562 
1 1 1   -5    7   78 o  100.917   5.6616   70.315   7.7426   70.424   10.937   70.206   10.962  100.999   7.9912  100.835   8.0222 0.1639099 11.32324 
1 1 1   -5    7   79 o   75.762   7.5304   39.595   7.5593   36.955   9.5977   43.910   12.268   72.722   9.7392   78.803   11.488 -6.081596 15.06086 
1 1 1   -5    7   80 o   69.401   8.8150   38.451   7.5777   49.433   9.8566   22.579   11.849   84.269   8.6313   54.533   15.373 29.73571 17.62998 
1 1 1   -5    7   81 o   65.171   7.6736   30.792   6.4348   41.066   9.3507   21.548   8.8688   76.594   9.0088   53.749   12.425 22.84495 15.34723 
1 1 1   -5    7   82 o   45.410   9.4414   10.838   6.5080   28.585   11.748   2.9820   7.8169   61.057   14.428   29.763   12.182 31.29412 18.88275 
1 1 1   -5    7   83 o   44.127   9.5517   10.256   6.6337   26.953   11.676   2.2960   8.0612   58.906   14.679   29.349   12.225 29.55700 19.10341 
1 1 1   -5    7   84 o   74.746   9.5242   39.739   9.6472   0.0000   0.0000   39.739   9.6472  ?   ?    74.746   9.5242      ?      ? 
1 1 1   -5    7   85 o   57.903   10.052   23.692   7.3846   35.076   13.527   18.860   8.8138   66.378   15.345   49.428   12.989 16.95006 20.10440 
1 1 1   -5    7   86 o   50.657   11.366   19.086   9.0111   11.454   11.753   29.971   14.035   41.069   15.487   60.245   16.641 -19.17526 22.73271 
1 1 1   -5    7   87 o   55.322   11.255   25.670   9.1467   30.775   12.124   18.928   13.934   61.984   14.664   48.659   17.078 13.32442 22.50925 
1 1 1   -5    7   88 o   33.706   10.167   1.0889   8.2160  -4.4454   10.570   9.5377   13.060   27.594   12.619   39.818   15.944 -12.22336 20.33381 
1 1 1   -5    7   89 o   46.361   11.362   13.630   9.2310   3.6758   11.733   29.800   14.954   34.085   14.503   58.637   17.494 -24.55154 22.72374 
1 1 1   -5    7   90 o   75.195   10.925   45.772   10.655   40.971   13.919   52.569   16.560   70.788   14.977   79.601   15.908 -8.813232 21.84899 
1 1 1   -5    7   91 o   74.548   14.588   45.318   14.210   45.318   14.210   0.0000   0.0000   74.548   14.588  ?   ?       ?      ? 
1 1 1   -5    7   93 o   25.216   12.043 -10.9345   11.535 -10.9345   11.535   0.0000   0.0000   25.216   12.043  ?   ?       ?      ? 
1 1 1   -5    7   94 f   78.229   15.009   52.297   15.333   52.297   15.333   0.0000   0.0000   78.229   15.009  ?   ?       ?      ? 
1 1 1   -5    7   95 o   24.522   11.861 -13.4335   12.035 -13.4335   12.035   0.0000   0.0000   24.522   11.861  ?   ?       ?      ? 
1 1 1   -5    8    1 o  445.421   5.8887  1344.60   35.536  1383.96   50.790  1306.86   49.738  451.805   8.2956  439.038   8.3600 12.76758 11.77735 
1 1 1   -5    8    2 o  423.530   5.7094  1215.28   32.757  1184.71   45.579  1247.93   47.109  418.026   8.0460  429.033   8.1026 -11.00690 11.41889 
1 1 1   -5    8    3 o  453.906   5.9605  1396.82   36.661  1416.75   52.034  1377.18   51.662  457.122   8.3999  450.691   8.4588 6.430878 11.92095 
1 1 1   -5    8    4 o  422.804   5.7026  1209.99   32.646  1160.98   45.085  1264.02   47.335  413.819   8.0396  431.789   8.0896 -17.97073 11.40514 
1 1 1   -5    8    5 o  473.984   6.1465  1522.19   39.465  1482.04   54.925  1565.05   56.744  467.528   8.6692  480.440   8.7156 -12.91245 12.29294 
1 1 1   -5    8    6 o  557.918   6.9109  2109.75   52.235  2061.74   72.833  2160.60   74.957  551.387   9.7474  564.449   9.7996 -13.06177 13.82181 
1 1 1   -5    8    7 o  431.183   5.7827  1260.29   33.787  1243.99   47.443  1277.06   48.127  428.355   8.1731  434.010   8.1829 -5.654999 11.56542 
1 1 1   -5    8    8 o  394.890   5.5076  1056.65   29.466  1032.20   41.142  1082.40   42.220  390.202   7.7805  399.577   7.7972 -9.375000 11.01512 
1 1 1   -5    8    9 o  614.689   7.4686  2562.02   62.205  2523.49   87.128  2602.09   88.839  609.977   10.541  619.401   10.584 -9.424377 14.93730 
1 1 1   -5    8   10 o  646.812   8.9140  2806.33   67.348  2775.55   77.386  2902.44  136.737  639.806   8.9255  653.818   15.433 -14.01190 17.82800 
1 1 1   -5    8   11 o  493.424   7.2396  1630.63   41.858  1610.77   48.155  1692.03   84.661  487.463   7.2898  499.385   12.510 -11.92209 14.47918 
1 1 1   -5    8   12 o  497.626   7.8902  1719.04   51.137  1842.38   65.360  1524.40   82.109  521.260   9.2529  473.991   12.783 47.26889 15.78048 
1 1 1   -5    8   13 f  717.816   10.368  3521.52   95.807  3575.95  118.757  3420.06  162.136  726.024   12.071  709.607   16.861 16.41693 20.73606 
1 1 1   -5    8   14 o  601.050   10.422  2450.04   84.884  2450.04   84.884   0.0000   0.0000  601.050   10.422  ?   ?       ?      ? 
1 1 1   -5    8   15 f  497.904   9.1079  1680.92   61.453  1680.92   61.453   0.0000   0.0000  497.904   9.1079  ?   ?       ?      ? 
1 1 1   -5    8   16 o  449.536   7.3050  1389.65   42.529  1439.39   53.380  1303.23   70.371  460.764   8.5491  438.307   11.848 22.45779 14.61010 
1 1 1   -5    8   17 o  536.591   7.7282  1952.28   48.898  1951.66   56.597  1954.09   97.106  536.557   7.7838  536.625   13.353 -0.6890869E-01 15.45648 
1 1 1   -5    8   18 o  482.483   12.363  1579.34   80.834   0.0000   0.0000  1579.34   80.834  ?   ?   482.483   12.363      ?      ? 
1 1 1   -5    8   19 o  578.827   7.1155  2272.07   55.813  2276.92   79.022  2267.24   78.841  579.443   10.064  578.210   10.062 1.232849 14.23100 
1 1 1   -5    8   20 o  106.743   4.6480   77.192   6.7216   75.355   9.3795   79.131   9.6374  105.438   6.5644  108.048   6.5820 -2.609459 9.295931 
1 1 1   -5    8   22 o  566.943   9.9335  2179.78   76.317  2179.78   76.317   0.0000   0.0000  566.943   9.9335  ?   ?       ?      ? 
1 1 1   -5    8   23 o  597.849   10.359  2425.80   83.906  2500.38  119.720  2353.79  117.630  606.886   14.557  588.812   14.742 18.07379 20.71811 
1 1 1   -5    8   24 o  777.184   9.0746  4098.56   95.568  4059.29  134.292  4138.86  136.032  773.415   12.813  780.954   12.854 -7.539612 18.14926 
1 1 1   -5    8   25 o  594.582   7.3082  2397.73   58.883  2374.42   82.871  2421.50   83.681  591.664   10.336  597.500   10.335 -5.836731 14.61635 
1 1 1   -5    8   26 o  372.843   6.5104  943.399   31.211  940.554   53.315  944.883   38.497  372.363   10.566  373.322   7.6096 -0.9585876 13.02085 
1 1 1   -5    8   27 o  884.502   12.422  5247.58  139.115  5516.41  248.098  5124.30  168.012  900.309   20.335  868.695   14.272 31.61365 24.84381 
1 1 1   -5    8   28 o  679.468   16.172  3137.36  148.908  3137.36  148.908   0.0000   0.0000  679.468   16.172  ?   ?       ?      ? 
1 1 1   -5    8   29 o  308.004   4.9359  643.063   20.599  629.031   28.960  657.431   29.306  304.603   7.0160  311.405   6.9445 -6.802032 9.871707 
1 1 1   -5    8   31 o  615.238   7.5203  2567.53   62.687  2513.16   87.635  2624.50   89.707  608.571   10.626  621.904   10.644 -13.33313 15.04065 
1 1 1   -5    8   32 o  654.643   7.8839  2907.84   69.929  2958.58   99.988  2859.25   97.837  660.229   11.176  649.056   11.123 11.17255 15.76779 
1 1 1   -5    8   33 o  341.492   5.1835  790.604   23.985  799.868   34.261  781.701   33.587  343.452   7.3613  339.531   7.2998 3.920624 10.36707 
1 1 1   -5    8   34 o  592.823   7.3170  2383.21   58.759  2307.84   81.797  2463.58   84.462  583.146   10.351  602.500   10.345 -19.35474 14.63401 
1 1 1   -5    8   35 o  706.371   10.330  3407.63   93.404  3345.43  160.355  3439.58  114.910  701.066   16.879  711.676   11.915 -10.60944 20.66059 
1 1 1   -5    8   36 o  306.464   4.9909  636.879   20.726  626.056   29.195  647.875   29.427  303.838   7.0907  309.090   7.0255 -5.251678 9.981718 
1 1 1   -5    8   37 o  639.652   10.992  2778.52   95.282  2778.52   95.282   0.0000   0.0000  639.652   10.992  ?   ?       ?      ? 
1 1 1   -5    8   38 o  538.775   6.8296  1968.45   49.837  1900.20   69.175  2042.10   71.863  529.077   9.6482  548.473   9.6687 -19.39624 13.65913 
1 1 1   -5    8   39 o  342.235   5.2153  794.549   24.186  793.401   34.355  795.677   34.056  341.988   7.4130  342.482   7.3379 -0.4943848 10.43063 
1 1 1   -5    8   40 o  214.105   6.5481  310.917   18.999  310.917   18.999   0.0000   0.0000  214.105   6.5481  ?   ?       ?      ? 
1 1 1   -5    8   41 o  200.309   5.8022  274.809   14.659  279.253   17.816  265.495   25.794  202.904   6.4793  197.715   9.6271 5.188751 11.60445 
1 1 1   -5    8   42 o  289.930   6.1310  567.023   22.478  560.519   27.192  581.062   39.949  287.427   6.9811  292.434   10.081 -5.007111 12.26199 
1 1 1   -5    8   43 o  245.552   8.9890  409.526   29.911   0.0000   0.0000  409.526   29.911  ?   ?   245.552   8.9890      ?      ? 
1 1 1   -5    8   44 o  323.100   6.1209  694.705   25.375  666.357   30.930  753.066   44.380  313.335   7.2843  332.865   9.8387 -19.53027 12.24177 
1 1 1   -5    8   45 o  461.845   8.7493  1449.06   54.758  1449.06   54.758   0.0000   0.0000  461.845   8.7493  ?   ?       ?      ? 
1 1 1   -5    8   46 o  303.835   7.1186  626.664   29.310  626.664   29.310   0.0000   0.0000  303.835   7.1186  ?   ?       ?      ? 
1 1 1   -5    8   47 o  468.598   8.8677  1492.41   56.311  1492.41   56.311   0.0000   0.0000  468.598   8.8677  ?   ?       ?      ? 
1 1 1   -5    8   48 o  273.004   4.8685  505.925   18.004  486.353   25.296  526.015   25.630  267.647   6.9745  278.361   6.7944 -10.71365 9.736952 
1 1 1   -5    8   49 o  185.496   4.6442  233.831   11.654  217.975   16.470  249.732   16.494  179.180   6.7831  191.813   6.3453 -12.63322 9.288389 
1 1 1   -5    8   50 o  376.403   5.5308  962.293   28.204  980.900   40.445  944.678   39.352  379.939   7.8553  372.867   7.7880 7.071869 11.06162 
1 1 1   -5    8   51 o  255.164   5.8539  432.298   18.905  471.396   34.017  414.826   22.740  263.176   9.5381  247.152   6.7894 16.02390 11.70778 
1 1 1   -5    8   52 o  294.886   7.0425  590.717   28.143   0.0000   0.0000  590.717   28.143  ?   ?   294.886   7.0425      ?      ? 
1 1 1   -5    8   53 o  251.781   4.7822  430.621   16.315  430.066   23.253  431.159   22.895  251.616   6.8197  251.946   6.7059 -0.3300781 9.564404 
1 1 1   -5    8   54 o  184.219   4.6678  229.969   11.636  247.539   16.894  214.111   16.050  190.902   6.5305  177.536   6.6712 13.36681 9.335551 
1 1 1   -5    8   55 o  273.838   6.9805  509.593   25.904  509.593   25.904   0.0000   0.0000  273.838   6.9805  ?   ?       ?      ? 
1 1 1   -5    8   56 o  136.438   4.9112  126.338   9.0718  130.572   13.184  122.531   12.502  138.601   7.0195  134.275   6.8707 4.326584 9.822421 
1 1 1   -5    8   57 o  288.106   6.2230  567.713   22.796  572.310   27.853  558.387   39.671  290.142   7.0841  286.070   10.233 4.071381 12.44610 
1 1 1   -5    8   58 o  274.224   6.2347  523.070   21.752  545.719   26.856  479.875   37.088  283.311   6.9952  265.137   10.322 18.17450 12.46938 
1 1 1   -5    8   59 o  105.879   5.5382   76.653   7.8966   67.114   11.204   86.070   11.132   99.272   8.3284  112.486   7.3025 -13.21434 11.07646 
1 1 1   -5    8   60 o  225.937   4.7918  347.054   14.663  331.504   20.591  363.051   20.885  220.791   6.8821  231.083   6.6695 -10.29228 9.583584 
1 1 1   -5    8   61 o  180.036   4.8269  220.183   11.769  230.994   16.955  210.132   16.348  184.300   6.7887  175.773   6.8635 8.526443 9.653708 
1 1 1   -5    8   62 o  149.937   5.0214  152.893   10.200  156.152   14.630  149.811   14.228  151.488   7.1267  148.385   7.0757 3.103073 10.04271 
1 1 1   -5    8   63 o  184.159   5.7582  233.990   13.769  241.736   17.328  220.725   22.678  188.506   6.7834  179.812   9.3067 8.694504 11.51647 
1 1 1   -5    8   64 o  150.606   5.0016  154.381   10.207  155.305   14.525  153.480   14.347  151.049   7.0962  150.163   7.0504 0.8858032 10.00323 
1 1 1   -5    8   65 o  189.280   4.8448  242.998   12.404  263.624   18.133  224.861   17.004  196.809   6.7991  181.752   6.9037 15.05695 9.689632 
1 1 1   -5    8   66 o  169.275   4.9315  195.310   11.302  188.811   16.148  201.551   15.823  166.489   7.1573  172.060   6.7861 -5.571243 9.862958 
1 1 1   -5    8   67 o  221.341   6.0828  343.984   17.175  305.487   28.835  365.153   21.382  211.137   10.078  231.545   6.8146 -20.40800 12.16560 
1 1 1   -5    8   68 o  108.286   5.7565   79.941   8.4356   82.886   12.326   77.346   11.569  110.145   8.2581  106.426   8.0219 3.719765 11.51294 
1 1 1   -5    8   69 o  157.167   6.2666  170.840   12.365  164.485   21.896  173.816   14.983  154.681   10.446  159.654   6.9254 -4.972778 12.53325 
1 1 1   -5    8   70 o  167.347   7.1017  191.171   16.105  191.171   16.105   0.0000   0.0000  167.347   7.1017  ?   ?       ?      ? 
1 1 1   -5    8   71 o  108.445   5.7132   80.259   8.3777   87.961   12.225   73.439   11.504  113.351   7.9587  103.539   8.1988 9.811661 11.42636 
1 1 1   -5    8   72 o  105.459   7.1402   70.454   9.6112   59.370   11.479   96.438   17.576   92.907   9.1179  118.012   10.991 -25.10542 14.28033 
1 1 1   -5    8   73 o  107.350   5.8129   79.339   8.3788   66.191   11.688   93.240   12.018   98.074   8.7941  116.627   7.6041 -18.55357 11.62580 
1 1 1   -5    8   74 o   63.996   7.9739   29.621   6.6092   21.746   9.4311   37.220   9.2647   54.588   12.945   73.403   9.3140 -18.81494 15.94782 
1 1 1   -5    8   75 o   55.566   8.5509   22.420   6.2548   23.988   9.0326   20.977   8.6698   57.487   11.983   53.645   12.201 3.842434 17.10175 
1 1 1   -5    8   76 o  101.748   5.6799   71.287   7.8233   75.967   11.309   66.991   10.834  104.964   7.9504   98.532   8.1141 6.431427 11.35987 
1 1 1   -5    8   77 o   94.797   5.8761   62.080   7.5412   64.995   10.961   59.460   10.391   96.897   8.3478   92.697   8.2721 4.199883 11.75216 
1 1 1   -5    8   78 o   96.852   5.8600   65.270   7.6441   56.923   10.775   73.728   10.846   90.457   8.7900  103.246   7.7521 -12.78909 11.72002 
1 1 1   -5    8   79 o   70.688   8.1933   33.502   7.3511   22.210   9.2260   53.134   12.165   54.586   12.710   86.791   10.343 -32.20532 16.38670 
1 1 1   -5    8   80 o   71.028   8.6243   36.524   7.6401   37.842   13.203   35.860   9.3679   70.715   14.270   71.341   9.6899 -0.6258545 17.24867 
1 1 1   -5    8   81 o   76.374   8.5301   41.689   8.0407   45.690   14.331   39.851   9.7138   77.647   14.140   75.101   9.5446 2.545593 17.06026 
1 1 1   -5    8   82 f   92.441   7.7729   64.578   8.8576   52.811   15.265   70.550   10.876   84.486   13.333  100.395   7.9940 -15.90850 15.54581 
1 1 1   -5    8   83 o   76.002   8.4858   42.938   7.9602   42.221   13.752   43.299   9.7620   73.917   14.245   78.087   9.2253 -4.169914 16.97166 
1 1 1   -5    8   84 o   85.246   14.182   55.274   16.382   0.0000   0.0000   55.274   16.382  ?   ?    85.246   14.182      ?      ? 
1 1 1   -5    8   85 o   83.800   10.083   55.198   10.887   59.549   14.357   49.312   16.699   89.762   11.803   77.838   16.351 11.92445 20.16615 
1 1 1   -5    8   86 o   49.309   11.570   19.940   9.2125   23.431   11.980   14.887   14.412   53.530   15.575   45.088   17.114 8.442200 23.14007 
1 1 1   -5    8   87 o   36.314   10.743   5.5922   8.5963   5.3304   10.766   6.0528   14.280   34.512   14.230   38.115   16.098 -3.603569 21.48631 
1 1 1   -5    8   89 o   56.338   11.963   25.541   10.273   14.954   13.346   40.930   16.091   44.038   16.524   68.639   17.304 -24.60043 23.92643 
1 1 1   -5    8   90 o   40.433   10.895   10.945   9.1065   18.707   11.744  -0.7580   14.421   47.274   15.699   33.592   15.112 13.68163 21.79068 
1 1 1   -5    8   91 o   57.255   12.038   28.044   10.057   20.746   12.996   38.941   15.880   48.818   16.516   65.692   17.517 -16.87381 24.07582 
1 1 1   -5    8   92 o   65.249   15.426   36.749   13.424   36.749   13.424   0.0000   0.0000   65.249   15.426  ?   ?       ?      ? 
1 1 1   -5    8   93 o   21.447   10.579 -19.4441   11.056 -19.4441   11.056   0.0000   0.0000   21.447   10.579  ?   ?       ?      ? 
1 1 1   -5    8   94 o   45.892   16.817   19.701   13.676   19.701   13.676   0.0000   0.0000   45.892   16.817  ?   ?       ?      ? 
1 1 1   -5    8   95 o   52.513   17.135   27.650   14.014   27.650   14.014   0.0000   0.0000   52.513   17.135  ?   ?       ?      ? 
1 1 1   -5    9    1 o  673.056   8.0388  3071.59   73.304  3018.05  102.358  3127.95  105.029  667.041   11.324  679.071   11.413 -12.03021 16.07759 
1 1 1   -5    9    2 o  638.070   7.6971  2760.88   66.549  2808.45   94.796  2714.66   93.447  643.489   10.871  632.651   10.900 10.83832 15.39421 
1 1 1   -5    9    3 o  595.703   7.2958  2405.90   58.886  2370.79   82.337  2442.66   84.249  591.258   10.276  600.148   10.359 -8.889648 14.59157 
1 1 1   -5    9    4 o  726.945   8.5599  3584.63   84.318  3554.37  118.373  3615.80  120.133  723.833   12.068  730.056   12.143 -6.222900 17.11975 
1 1 1   -5    9    5 o  580.597   7.1515  2285.52   56.261  2329.54   80.208  2242.89   78.936  586.100   10.099  575.095   10.129 11.00519 14.30292 
1 1 1   -5    9    6 o  894.501   14.519  5431.09  175.991   0.0000   0.0000  5431.09  175.991  ?   ?   894.501   14.519      ?      ? 
1 1 1   -5    9    7 f  792.108   9.2108  4256.93   98.864  4218.54  138.811  4296.44  140.839  788.488   12.991  795.729   13.061 -7.240601 18.42168 
1 1 1   -5    9    8 o  533.268   6.7150  1928.32   48.525  1935.84   68.559  1920.78   68.692  534.310   9.4686  532.225   9.5242 2.084229 13.43001 
1 1 1   -5    9    9 o  932.401   10.650  5901.95  134.570  5915.37  190.489  5888.58  190.132  933.460   15.059  931.343   15.065 2.117004 21.30063 
1 1 1   -5    9   10 o  985.206   15.853  6604.92  211.646  6616.60  300.332  6593.39  298.303  986.062   22.476  984.351   22.363 1.710266 31.70571 
1 1 1   -5    9   11 o  458.226   7.4562  1450.70   44.310  1523.93   55.953  1327.54   72.564  474.094   8.7092  442.357   12.105 31.73724 14.91244 
1 1 1   -5    9   12 o  420.387   7.1583  1236.21   39.195  1368.82   50.711  1039.44   61.772  449.330   8.3282  391.443   11.645 57.88702 14.31666 
1 1 1   -5    9   13 o  509.450   8.0271  1796.27   53.127  1899.11   67.373  1627.18   86.390  529.214   9.3944  489.687   13.018 39.52652 16.05415 
1 1 1   -5    9   14 o  472.807   7.0852  1501.83   39.311  1487.88   45.291  1544.46   79.162  468.499   7.1337  477.115   12.244 -8.615753 14.17034 
1 1 1   -5    9   15 o  191.724   5.2185  247.984   12.822  245.534   15.716  252.860   22.176  190.330   6.0934  193.118   8.4737 -2.788284 10.43705 
1 1 1   -5    9   16 o  555.297   7.9351  2056.45   51.378  2023.49   58.914  2161.15  104.997  546.320   7.9577  564.273   13.731 -17.95294 15.87028 
1 1 1   -5    9   17 o  462.969   6.9792  1432.65   37.956  1412.10   43.698  1495.78   76.597  456.410   7.0651  469.529   12.038 -13.11926 13.95845 
1 1 1   -5    9   18 o  300.133   9.5698  610.889   38.922   0.0000   0.0000  610.889   38.922  ?   ?   300.133   9.5698      ?      ? 
1 1 1   -5    9   19 o  533.353   13.638  1931.01   98.574  1931.01   98.574   0.0000   0.0000  533.353   13.638  ?   ?       ?      ? 
1 1 1   -5    9   20 o  694.958   11.695  3277.02  110.144  3277.02  110.144   0.0000   0.0000  694.958   11.695  ?   ?       ?      ? 
1 1 1   -5    9   21 o  656.112   9.6341  2933.83   81.290  2886.54  138.326  2958.77  100.470  651.851   15.659  660.373   11.227 -8.522095 19.26812 
1 1 1   -5    9   22 o  313.321   5.9375  658.943   23.943  687.027   41.261  644.685   29.399  318.267   9.5668  308.375   7.0351 9.892365 11.87500 
1 1 1   -5    9   23 o  408.556   5.6536  1131.80   31.301  1129.78   44.197  1133.84   44.336  408.189   7.9900  408.922   8.0008 -0.7328491 11.30715 
1 1 1   -5    9   24 o  477.897   6.2400  1548.72   40.409  1569.59   57.481  1528.33   56.818  481.079   8.8170  474.714   8.8323 6.365845 12.47995 
1 1 1   -5    9   26 o  554.821   6.9358  2088.27   52.146  2074.94   73.503  2101.78   73.991  553.038   9.8077  556.604   9.8096 -3.566162 13.87157 
1 1 1   -5    9   28 o  357.224   5.2836  865.302   25.577  866.422   36.274  864.195   36.070  357.453   7.4885  356.995   7.4558 0.4584351 10.56728 
1 1 1   -5    9   29 o  162.640   4.5561  179.457   10.035  173.138   14.267  185.643   14.117  159.803   6.5882  165.478   6.2951 -5.675095 9.112253 
1 1 1   -5    9   30 o  395.679   5.5930  1061.71   29.987  1045.33   42.180  1078.44   42.641  392.594   7.9283  398.764   7.8910 -6.169952 11.18595 
1 1 1   -5    9   31 o  397.498   7.9158  1071.67   42.639   0.0000   0.0000  1071.67   42.639  ?   ?   397.498   7.9158      ?      ? 
1 1 1   -5    9   32 f  291.983   6.0763  580.322   22.493  572.881   39.418  583.915   27.390  290.525   10.012  293.442   6.8878 -2.916962 12.15254 
1 1 1   -5    9   34 o  223.242   4.5910  338.009   13.887  332.451   19.692  343.508   19.586  221.413   6.5632  225.069   6.4215 -3.655823 9.182083 
1 1 1   -5    9   35 o  172.461   4.6244  201.947   10.784  185.922   15.212  218.136   15.289  165.569   6.7799  179.352   6.2906 -13.78294 9.248767 
1 1 1   -5    9   36 o  479.460   6.3028  1559.78   40.943  1522.01   57.259  1599.29   58.567  473.523   8.9232  485.398   8.9037 -11.87469 12.60554 
1 1 1   -5    9   37 o  738.584   8.7356  3709.87   87.432  3700.16  123.476  3719.62  123.821  737.616   12.353  739.553   12.355 -1.936707 17.47111 
1 1 1   -5    9   38 o  423.830   7.2499  1228.93   39.225  1246.20   48.182  1195.00   67.546  428.476   8.2980  419.185   11.891 9.290802 14.49987 
1 1 1   -5    9   39 o  123.813   6.2992  101.929   9.7890   98.530   11.707  109.827   17.846  120.502   7.1694  127.123   10.360 -6.621414 12.59847 
1 1 1   -5    9   40 o  289.856   4.9050  570.022   19.264  556.454   27.093  583.895   27.396  286.365   6.9816  293.346   6.8916 -6.981537 9.810097 
1 1 1   -5    9   41 o  238.032   5.5928  383.895   17.251  382.019   21.436  387.345   29.064  237.277   6.6667  238.786   8.9818 -1.509506 11.18557 
1 1 1   -5    9   42 o  373.379   6.6040  944.907   31.703  939.465   39.034  955.455   54.342  371.978   7.7437  374.780   10.700 -2.802032 13.20804 
1 1 1   -5    9   43 o  172.804   4.6649  202.962   10.905  190.979   15.513  214.671   15.334  167.744   6.8242  177.865   6.3619 -10.12057 9.329734 
1 1 1   -5    9   44 o  214.654   4.6308  312.845   13.464  303.673   19.107  321.893   18.977  211.521   6.6657  217.787   6.4299 -6.265884 9.261550 
1 1 1   -5    9   45 o  191.476   4.6112  249.057   11.955  240.698   17.052  257.136   16.764  188.306   6.6825  194.646   6.3557 -6.340561 9.222308 
1 1 1   -5    9   46 o  247.626   4.7439  415.958   15.911  426.659   22.939  406.036   22.089  250.689   6.7524  244.562   6.6652 6.127533 9.487849 
1 1 1   -5    9   47 o  104.559   5.3390   74.043   7.5473   77.449   11.140   71.153   10.261  106.769   7.6997  102.348   7.3981 4.421066 10.67790 
1 1 1   -5    9   48 o  305.826   5.0495  635.115   20.921  642.116   29.998  628.485   29.192  307.460   7.1999  304.191   7.0818 3.268738 10.09897 
1 1 1   -5    9   49 o  123.152   6.8195  103.006   11.381   0.0000   0.0000  103.006   11.381  ?   ?   123.152   6.8195      ?      ? 
1 1 1   -5    9   50 o  137.525   6.7428  128.460   12.566   0.0000   0.0000  128.460   12.566  ?   ?   137.525   6.7428      ?      ? 
1 1 1   -5    9   51 o  199.586   6.7335  270.595   18.212  270.595   18.212   0.0000   0.0000  199.586   6.7335  ?   ?       ?      ? 
1 1 1   -5    9   52 o  107.165   5.3097   77.777   7.6930   82.373   11.364   73.888   10.452  110.071   7.6183  104.258   7.3982 5.812828 10.61940 
1 1 1   -5    9   54 o   62.278   7.5682   26.386   6.1593   34.189   9.3867   20.486   8.1621   70.814   9.7815   53.741   11.551 17.07327 15.13646 
1 1 1   -5    9   55 o  207.753   5.8866  288.786   15.536  279.792   18.789  308.224   27.622  202.887   6.8339  212.620   9.5867 -9.733932 11.77315 
1 1 1   -5    9   56 o  130.200   6.3753  112.049   10.585  105.779   12.785  125.715   18.874  124.693   7.5660  135.706   10.263 -11.01311 12.75050 
1 1 1   -5    9   57 o  331.913   5.2854  748.157   23.751  789.241   34.434  710.870   32.804  340.592   7.4604  323.234   7.4890 17.35739 10.57086 
1 1 1   -5    9   58 o  251.487   4.9064  428.979   16.697  460.115   24.305  401.151   22.978  260.112   6.8954  242.863   6.9818 17.24931 9.812856 
1 1 1   -5    9   59 o  270.739   7.1331  498.690   26.171  498.690   26.171   0.0000   0.0000  270.739   7.1331  ?   ?       ?      ? 
1 1 1   -5    9   60 o  113.724   8.1436   88.119   12.550   88.119   12.550   0.0000   0.0000  113.724   8.1436  ?   ?       ?      ? 
1 1 1   -5    9   61 o  231.034   4.8713  363.109   15.250  369.474   21.706  356.905   21.430  233.035   6.8735  229.033   6.9046 4.002304 9.742657 
1 1 1   -5    9   62 f  255.300   5.8448  430.251   19.242  401.178   23.468  489.888   33.612  242.762   7.1336  267.837   9.2605 -25.07498 11.68954 
1 1 1   -5    9   63 o  271.638   5.0222  502.111   18.481  515.661   26.523  489.322   25.767  275.196   7.1121  268.079   7.0927 7.116882 10.04437 
1 1 1   -5    9   64 o   96.823   5.9737   63.982   7.8057   64.082   11.579   63.897   10.568   96.861   8.8211   96.785   8.0577 0.7585144E-01 11.94733 
1 1 1   -5    9   65 o   76.653   8.9425   42.785   8.2113   37.211   14.605   45.362   9.9294   71.850   15.458   81.456   8.9953 -9.605408 17.88494 
1 1 1   -5    9   66 o  194.039   4.9250  257.267   12.902  232.220   18.267  282.200   18.226  184.534   7.3050  203.544   6.6077 -19.01009 9.850075 
1 1 1   -5    9   67 o   84.331   6.5723   49.124   7.4490   44.180   10.865   53.509   10.233   80.220   9.9943   88.441   8.5379 -8.220413 13.14466 
1 1 1   -5    9   68 o  111.734   6.8528   83.184   9.5942   92.520   17.646   79.266   11.432  115.789   11.246  107.679   7.8342 8.110153 13.70559 
1 1 1   -5    9   69 o   88.160   6.3861   52.950   7.6003   59.075   11.321   47.925   10.254   92.769   9.0057   83.551   9.0569 9.218323 12.77219 
1 1 1   -5    9   70 f  131.523   6.7706  118.056   11.210  116.261   13.505  122.033   20.101  130.313   7.6475  132.734   11.175 -2.420700 13.54116 
1 1 1   -5    9   71 o   69.254   7.5969   33.199   7.1252   34.423   10.298   32.075   9.8684   70.472   10.784   68.037   10.703 2.434288 15.19373 
1 1 1   -5    9   72 o   96.186   6.0270   64.000   7.8148   58.209   11.253   69.395   10.861   91.868   9.0389  100.504   7.9746 -8.635422 12.05391 
1 1 1   -5    9   73 o   53.676   9.0087   21.051   6.4481   21.192   9.3688   20.924   8.8881   53.802   12.996   53.549   12.479 0.2524757 18.01740 
1 1 1   -5    9   74 o   93.079   5.9853   59.932   7.5371   57.169   10.790   62.565   10.533   90.918   8.7577   95.240   8.1609 -4.321304 11.97069 
1 1 1   -5    9   75 o   83.715   6.2503   48.740   7.0687   45.807   10.182   51.469   9.8213   81.185   9.2549   86.246   8.4033 -5.060799 12.50068 
1 1 1   -5    9   76 o   67.959   7.1879   32.319   6.6093   34.938   9.5384   29.900   9.1666   70.648   9.9631   65.271   10.364 5.377625 14.37586 
1 1 1   -5    9   77 o  117.716   5.4139   95.923   8.6033  107.204   12.340   85.254   12.001  124.561   7.3106  110.872   7.9874 13.68972 10.82789 
1 1 1   -5    9   78 o   83.352   9.5447   53.656   9.8361   28.926   13.867   78.697   13.954   60.961   16.419  105.742   9.7380 -44.78099 19.08946 
1 1 1   -5    9   79 o   99.898   7.2272   70.919   9.3349   70.352   15.667   71.231   11.623   98.895   11.691  100.901   8.5008 -2.005737 14.45448 
1 1 1   -5    9   80 o  102.515   7.6921   80.877   9.6555   59.334   16.194   92.759   12.027   89.710   13.321  115.321   7.6962 -25.61102 15.38418 
1 1 1   -5    9   81 o   93.887   7.3020   63.068   8.7864   63.518   15.058   62.836   10.819   93.290   11.911   94.484   8.4500 -1.193993 14.60400 
1 1 1   -5    9   82 o   56.822   9.5102   26.188   7.3779   17.698   12.019   31.323   9.3462   47.744   15.882   65.899   10.466 -18.15505 19.02045 
1 1 1   -5    9   83 o   26.756   12.830 -15.2672   13.380   0.0000   0.0000 -15.2672   13.380  ?   ?    26.756   12.830      ?      ? 
1 1 1   -5    9   85 f   68.690   17.823   40.504   16.734   0.0000   0.0000   40.504   16.734  ?   ?    68.690   17.823      ?      ? 
1 1 1   -5    9   86 o  104.763   8.6222   82.004   12.149   77.577   16.071   87.908   18.558  101.963   11.631  107.564   12.731 -5.601295 17.24441 
1 1 1   -5    9   87 o   93.204   9.2821   65.283   11.569   57.281   14.951   77.223   18.263   86.575   12.744   99.833   13.499 -13.25843 18.56417 
1 1 1   -5    9   88 o   55.830   12.126   26.022   9.8589   21.113   12.467   34.215   16.107   49.934   16.153   61.726   18.089 -11.79259 24.25102 
1 1 1   -5    9   89 o   94.710   9.2880   68.198   11.751   58.097   15.168   83.364   18.585   86.347   12.962  103.073   13.306 -16.72562 18.57598 
1 1 1   -5    9   90 o   77.733   10.910   50.165   10.946   45.181   14.175   57.525   17.226   73.621   14.723   81.845   16.105 -8.223808 21.82067 
1 1 1   -5    9   91 o   71.509   14.945   43.543   14.016   43.543   14.016   0.0000   0.0000   71.509   14.945  ?   ?       ?      ? 
1 1 1   -5    9   92 o   43.502   16.301   16.542   12.980   16.542   12.980   0.0000   0.0000   43.502   16.301  ?   ?       ?      ? 
1 1 1   -5    9   93 o   40.943   16.063   14.313   12.999   14.313   12.999   0.0000   0.0000   40.943   16.063  ?   ?       ?      ? 
1 1 1   -5    9   94 o   34.905   15.081   6.9461   13.054   6.9461   13.054   0.0000   0.0000   34.905   15.081  ?   ?       ?      ? 
1 1 1   -5    9   95 o   44.320   16.885   20.323   14.063   20.323   14.063   0.0000   0.0000   44.320   16.885  ?   ?       ?      ? 
1 1 1   -5   10    1 o  441.781   5.9323  1322.80   35.504  1302.47   49.472  1344.38   50.983  438.286   8.3295  445.277   8.4492 -6.991058 11.86463 
1 1 1   -5   10    2 o  173.285   4.3903  203.659   10.296  206.174   14.252  200.914   14.891  174.406   6.0302  172.163   6.3825 2.243011 8.780638 
1 1 1   -5   10    3 f  167.960   4.4146  191.316   10.033  193.126   13.854  189.321   14.550  168.797   6.0566  167.122   6.4244 1.675049 8.829228 
1 1 1   -5   10    4 o  443.565   7.3544  1347.82   41.905  1292.22   70.992  1377.55   51.914  436.395   12.005  450.734   8.4992 -14.33887 14.70876 
1 1 1   -5   10    5 o  368.304   6.6111  919.236   31.102  921.934   53.930  917.891   38.070  368.655   10.795  367.953   7.6350 0.7018127 13.22219 
1 1 1   -5   10    6 o  195.897   5.5642  257.657   13.870  267.478   24.436  252.990   16.846  198.604   9.0794  193.190   6.4348 5.414017 11.12844 
1 1 1   -5   10    7 o  570.784   7.0872  2207.93   54.793  2152.44   76.068  2267.77   78.993  563.339   9.9643  578.228   10.081 -14.88953 14.17446 
1 1 1   -5   10    8 f  595.707   10.418  2407.14   84.101   0.0000   0.0000  2407.14   84.101  ?   ?   595.707   10.418      ?      ? 
1 1 1   -5   10    9 o  533.917   6.7588  1933.22   48.898  1922.94   68.646  1943.80   69.669  532.480   9.5133  535.355   9.6032 -2.875671 13.51750 
1 1 1   -5   10   10 o  764.529   8.9685  3966.40   92.906  3923.72  130.161  4010.73  132.652  760.342   12.632  768.716   12.734 -8.373962 17.93696 
1 1 1   -5   10   11 o  716.099   9.7634  3446.14   81.644  3412.28   93.829  3551.70  165.671  709.293   9.7618  722.904   16.912 -13.61145 19.52670 
1 1 1   -5   10   12 o  295.564   5.6464  610.909   19.924  633.309   23.446  552.685   37.800  305.672   5.6602  285.455   9.7718 20.21722 11.29276 
1 1 1   -5   10   13 o  419.129   8.0034  1189.26   45.403  1135.42   62.385  1249.88   66.203  409.071   11.254  429.188   11.383 -20.11691 16.00674 
1 1 1   -5   10   14 o  420.298   6.7185  1197.53   38.266  1197.53   38.266   0.0000   0.0000  420.298   6.7185  ?   ?       ?      ? 
1 1 1   -5   10   15 o  417.267   6.6482  1180.32   37.593  1180.32   37.593   0.0000   0.0000  417.267   6.6482  ?   ?       ?      ? 
1 1 1   -5   10   16 o  240.055   5.3285  390.588   17.334  390.588   17.334   0.0000   0.0000  240.055   5.3285  ?   ?       ?      ? 
1 1 1   -5   10   17 o  304.167   5.9462  608.966   23.234  572.799   28.253  684.517   40.835  290.663   7.1729  317.672   9.4858 -27.00897 11.89242 
1 1 1   -5   10   18 o  321.760   5.7694  703.772   22.028  705.611   25.600  698.525   43.236  322.636   5.8551  320.883   9.9429 1.753418 11.53879 
1 1 1   -5   10   19 o  269.113   5.3599  485.116   17.115  478.889   19.815  503.414   33.967  265.801   5.5011  272.426   9.2007 -6.625610 10.71985 
1 1 1   -5   10   20 f  457.353   7.5370  1450.28   44.832  1542.38   57.047  1301.53   72.498  476.863   8.8279  437.844   12.219 39.01947 15.07407 
1 1 1   -5   10   21 o  547.748   7.9535  2049.74   51.630  2064.14   60.032  2008.83  101.191  551.699   8.0296  543.797   13.732 7.901794 15.90702 
1 1 1   -5   10   22 o  372.656   6.2536  961.099   27.844  983.581   32.658  901.263   53.279  380.897   6.3270  364.416   10.789 16.48114 12.50724 
1 1 1   -5   10   23 o  430.556   6.7913  1274.05   34.841  1292.56   40.707  1223.33   67.368  436.619   6.8800  424.493   11.711 12.12646 13.58259 
1 1 1   -5   10   24 o  485.193   12.806  1598.98   84.201  1598.98   84.201   0.0000   0.0000  485.193   12.806  ?   ?       ?      ? 
1 1 1   -5   10   25 o  432.198   7.2518  1256.51   39.782  1236.24   48.232  1299.66   70.359  426.913   8.3371  437.483   11.868 -10.57059 14.50369 
1 1 1   -5   10   26 o  502.564   6.4949  1712.08   44.212  1773.96   63.674  1654.48   61.436  511.323   9.1893  493.804   9.1809 17.51874 12.98973 
1 1 1   -5   10   27 o  372.328   5.4327  939.798   27.404  967.612   39.230  913.289   38.298  377.707   7.6644  366.949   7.7017 10.75754 10.86550 
1 1 1   -5   10   28 o  363.726   10.981  898.369   54.123  898.369   54.123   0.0000   0.0000  363.726   10.981  ?   ?       ?      ? 
1 1 1   -5   10   29 o  563.652   8.7033  2168.13   62.660  2131.21  108.076  2186.82   76.905  559.744   14.248  567.560   9.9991 -7.816528 17.40667 
1 1 1   -5   10   30 o  281.465   4.8456  536.924   18.476  555.756   26.518  519.159   25.756  286.258   6.8360  276.671   6.8695 9.587128 9.691254 
1 1 1   -5   10   31 o  190.370   4.5690  245.714   11.778  232.771   16.507  259.138   16.810  185.261   6.5750  195.478   6.3460 -10.21730 9.137937 
1 1 1   -5   10   32 o  318.055   7.1971  686.245   31.020  686.245   31.020   0.0000   0.0000  318.055   7.1971  ?   ?       ?      ? 
1 1 1   -5   10   34 o  130.531   4.7894  115.522   8.4691  119.520   12.127  111.716   11.833  132.734   6.7419  128.327   6.8043 4.407654 9.578707 
1 1 1   -5   10   35 o  322.991   6.3159  703.922   25.878  695.740   31.393  721.271   45.714  320.205   7.2347  325.777   10.355 -5.571991 12.63179 
1 1 1   -5   10   36 o  261.292   6.0149  470.957   19.967  485.704   24.529  441.989   34.377  267.555   6.7652  255.029   9.9472 12.52640 12.02978 
1 1 1   -5   10   37 o  305.044   6.0557  635.653   23.819  644.224   29.565  619.800   40.209  308.103   7.0810  301.985   9.8256 6.118988 12.11130 
1 1 1   -5   10   38 o  219.632   5.4834  326.437   15.654  323.752   19.510  331.290   26.231  218.430   6.5910  220.834   8.7653 -2.404297 10.96685 
1 1 1   -5   10   39 o  150.215   5.4003  151.728   10.663  147.337   13.437  159.198   17.525  147.343   6.7296  153.088   8.4478 -5.745346 10.80059 
1 1 1   -5   10   40 o   61.498   7.4950   26.175   6.0892   25.700   8.9479   26.585   8.3104   60.470   11.336   62.526   9.8080 -2.055779 14.98993 
1 1 1   -5   10   42 o  259.308   4.8055  456.057   16.878  471.068   24.327  442.123   23.437  263.417   6.8149  255.199   6.7771 8.218384 9.611061 
1 1 1   -5   10   43 o  329.485   5.1937  737.222   23.186  742.190   33.127  732.451   32.463  330.568   7.3951  328.402   7.2946 2.165344 10.38742 
1 1 1   -5   10   44 o  353.687   5.3639  849.863   25.706  849.110   36.610  850.596   36.103  353.526   7.6417  353.849   7.5292 -0.3229675 10.72775 
1 1 1   -5   10   45 o  206.407   4.6945  289.747   13.109  274.371   18.703  304.596   18.380  201.000   6.8665  211.814   6.4034 -10.81358 9.388957 
1 1 1   -5   10   46 o  183.526   4.7234  228.753   11.722  228.476   17.138  228.996   16.069  183.408   6.8956  183.644   6.4570 -0.2356873 9.446811 
1 1 1   -5   10   47 o  154.724   6.6214  162.587   13.883   0.0000   0.0000  162.587   13.883  ?   ?   154.724   6.6214      ?      ? 
1 1 1   -5   10   48 o  178.155   5.8449  214.163   13.068  220.425   23.576  211.386   15.700  179.895   9.6708  176.416   6.5673 3.479095 11.68989 
1 1 1   -5   10   49 o  273.754   7.0602  509.263   26.192  509.263   26.192   0.0000   0.0000  273.754   7.0602  ?   ?       ?      ? 
1 1 1   -5   10   50 o  145.193   4.9195  143.536   9.6493  139.337   14.093  147.241   13.240  143.171   7.2637  147.215   6.6365 -4.043930 9.838949 
1 1 1   -5   10   51 o  218.349   4.7768  324.425   14.114  307.343   20.091  341.066   19.831  212.647   6.9722  224.052   6.5314 -11.40512 9.553519 
1 1 1   -5   10   52 o  233.849   4.7873  371.949   15.159  361.914   21.678  381.551   21.205  230.742   6.9329  236.955   6.6037 -6.212692 9.574648 
1 1 1   -5   10   53 o   97.136   7.2773   64.476   9.0533   64.624   11.126   64.185   15.574   97.419   8.4280   96.853   11.866 0.5663147 14.55457 
1 1 1   -5   10   54 o  102.682   5.6785   72.442   7.8265   63.246   11.329   80.837   10.825   96.350   8.6770  109.013   7.3274 -12.66376 11.35698 
1 1 1   -5   10   55 o  133.132   5.1198  120.035   9.2154  129.008   13.602  112.420   12.529  137.708   7.2886  128.556   7.1921 9.151443 10.23964 
1 1 1   -5   10   56 o  257.991   4.9503  452.879   17.291  428.322   24.361  477.809   24.545  250.917   7.1645  265.065   6.8333 -14.14740 9.900655 
1 1 1   -5   10   57 o  190.506   4.9322  247.288   12.710  238.027   18.304  255.911   17.663  187.029   7.2220  193.984   6.7193 -6.954178 9.864388 
1 1 1   -5   10   58 o   69.879   7.6791   34.850   6.8853   27.212   10.146   41.371   9.3746   61.879   12.529   77.878   8.8829 -15.99894 15.35822 
1 1 1   -5   10   59 f  115.338   5.4300   90.833   8.4623   86.892   12.275   94.402   11.682  112.921   8.0218  117.756   7.3207 -4.834694 10.86010 
1 1 1   -5   10   60 o  148.029   5.8088  147.693   11.340  142.270   14.344  156.732   18.518  144.542   7.3228  151.516   9.0191 -6.973343 11.61759 
1 1 1   -5   10   61 o  106.565   6.4473   75.537   9.1771   65.644   11.826   90.513   14.550   98.045   8.9009  115.085   9.3296 -17.03986 12.89451 
1 1 1   -5   10   62 o  107.433   5.7326   77.258   8.2614   93.957   12.661   64.876   10.902  117.365   7.9605   97.501   8.2512 19.86414 11.46526 
1 1 1   -5   10   63 o   80.447   8.9286   45.457   8.4972   45.052   15.912   45.619   10.050   79.223   15.376   81.672   9.0807 -2.448891 17.85722 
1 1 1   -5   10   64 o  233.973   4.9604  373.619   15.708  357.647   22.420  389.019   22.015  229.013   7.2243  238.934   6.7992 -9.920197 9.920711 
1 1 1   -5   10   65 o  202.626   4.9242  280.305   13.504  272.317   19.409  287.801   18.801  199.786   7.1690  205.467   6.7524 -5.681061 9.848388 
1 1 1   -5   10   66 o  130.919   5.3831  117.396   9.4799  114.810   14.210  119.471   12.726  129.544   8.0947  132.294   7.0983 -2.750336 10.76614 
1 1 1   -5   10   67 o  111.714   6.8968   81.307   9.6520   97.963   18.037   74.624   11.425  119.036   11.182  104.392   8.0764 14.64378 13.79351 
1 1 1   -5   10   68 f  190.024   6.0677  241.969   14.707  231.020   17.810  265.436   26.075  183.808   7.1503  196.240   9.8050 -12.43188 12.13532 
1 1 1   -5   10   69 o  123.404   5.3876  104.361   9.0054  104.712   12.947  104.032   12.534  123.584   7.7305  123.224   7.5063 0.3606110 10.77525 
1 1 1   -5   10   70 o   91.565   6.3154   58.962   7.6477   45.520   11.013   71.482   10.629   81.076   10.024  102.053   7.6854 -20.97788 12.63073 
1 1 1   -5   10   71 o   50.272   9.2140   18.138   6.3476   22.451   9.5429   14.716   8.5009   55.398   12.945   45.146   13.116 10.25145 18.42810 
1 1 1   -5   10   72 o  138.461   7.3809  131.803   13.849  131.803   13.849   0.0000   0.0000  138.461   7.3809  ?   ?       ?      ? 
1 1 1   -5   10   73 o  105.717   5.7054   77.678   8.1093   67.464   11.567   87.549   11.372   98.690   8.6491  112.744   7.4432 -14.05412 11.41086 
1 1 1   -5   10   74 o   50.230   8.8635   18.353   6.1424   24.871   9.0353   12.752   8.3754   58.307   11.839   42.153   13.194 16.15393 17.72707 
1 1 1   -5   10   75 o   51.292   8.8569   19.543   6.2707   26.327   8.9610   13.034   8.7781   60.043   11.431   42.541   13.532 17.50281 17.71389 
1 1 1   -5   10   76 o   72.809   8.7206   38.318   7.9516   39.651   13.621   37.629   9.7934   72.521   14.368   73.098   9.8866 -0.5769958 17.44122 
1 1 1   -5   10   77 o   50.097   9.6911   18.263   8.1331   1.4429   11.938   32.831   11.110   33.887   14.529   66.307   12.829 -32.41991 19.38218 
1 1 1   -5   10   78 o   52.160   10.820   20.722   8.1217   24.774   12.353   17.637   10.779   56.221   15.642   48.099   14.954 8.122070 21.64017 
1 1 1   -5   10   79 o   53.841   9.9137   19.105   7.2431   35.510   12.866   11.492   8.7638   67.703   14.463   39.980   13.563 27.72287 19.82740 
1 1 1   -5   10   80 o   64.467   10.826   33.288   9.3173   29.974   13.878   36.007   12.572   60.788   16.448   68.145   14.080 -7.357346 21.65103 
1 1 1   -5   10   81 o   81.585   15.566   52.912   16.581   0.0000   0.0000   52.912   16.581  ?   ?    81.585   15.566      ?      ? 
1 1 1   -5   10   82 o   55.387   17.833   25.802   15.209   0.0000   0.0000   25.802   15.209  ?   ?    55.387   17.833      ?      ? 
1 1 1   -5   10   83 o   51.970   17.548   22.509   14.669   0.0000   0.0000   22.509   14.669  ?   ?    51.970   17.548      ?      ? 
1 1 1   -5   10   84 o   52.939   11.702   23.799   9.4216   26.542   12.244   19.818   14.752   56.698   15.495   49.180   17.540 7.518318 23.40359 
1 1 1   -5   10   85 o   45.568   11.281   13.047   9.2266   2.7051   11.875   28.802   14.657   33.493   14.427   57.643   17.346 -24.15001 22.56206 
1 1 1   -5   10   86 o   31.630   9.7882  -0.2791   8.4268   6.3142   10.775 -10.6619   13.522   35.040   14.317   28.220   13.351 6.819435 19.57644 
1 1 1   -5   10   87 o   67.016   11.402   37.117   10.153   30.030   13.122   47.686   16.025   59.171   15.987   74.861   16.262 -15.69010 22.80377 
1 1 1   -5   10   88 o   44.333   11.610   15.892   9.1210   14.645   11.779   17.760   14.414   42.709   15.614   45.957   17.186 -3.248425 23.21945 
1 1 1   -5   10   89 o   52.439   12.001   24.430   9.5857   21.267   12.353   29.216   15.197   49.060   16.091   55.818   17.810 -6.757561 24.00291 
1 1 1   -5   10   90 o   42.330   11.538   13.089   9.5903   5.6245   12.591   23.403   14.801   34.890   14.939   49.771   17.588 -14.88091 23.07659 
1 1 1   -5   10   91 o   26.994   12.696  -6.7623   11.905  -6.7623   11.905   0.0000   0.0000   26.994   12.696  ?   ?       ?      ? 
1 1 1   -5   10   92 o   52.038   16.850   26.709   13.564   26.709   13.564   0.0000   0.0000   52.038   16.850  ?   ?       ?      ? 
1 1 1   -5   10   93 o   25.739   12.316  -9.1569   12.187  -9.1569   12.187   0.0000   0.0000   25.739   12.316  ?   ?       ?      ? 
1 1 1   -5   10   94 o   25.942   12.459  -9.2132   12.725  -9.2132   12.725   0.0000   0.0000   25.942   12.459  ?   ?       ?      ? 
1 1 1   -5   11    1 o  505.962   6.5240  1735.04   44.709  1691.13   62.021  1782.53   64.508  499.308   9.1662  512.616   9.2862 -13.30728 13.04808 
1 1 1   -5   11    2 o  311.900   5.0202  659.336   21.211  650.742   29.528  668.499   30.489  309.802   7.0335  313.997   7.1652 -4.194550 10.04045 
1 1 1   -5   11    3 o  311.015   5.0063  654.575   21.078  626.997   29.024  685.353   30.661  304.097   7.0431  317.932   7.1166 -13.83463 10.01254 
1 1 1   -5   11    4 o  521.732   6.6679  1846.60   47.142  1863.31   66.650  1829.88   66.686  524.097   9.3844  519.367   9.4750 4.729797 13.33581 
1 1 1   -5   11    5 o  353.512   5.2960  847.515   25.366  867.901   35.877  827.140   35.868  357.766   7.4001  349.258   7.5783 8.508331 10.59209 
1 1 1   -5   11    6 o  269.120   4.7726  490.694   17.393  482.585   24.072  499.551   25.159  266.797   6.6581  271.442   6.8397 -4.644989 9.545188 
1 1 1   -5   11    7 o  293.264   5.9324  584.536   22.300  587.155   27.436  579.436   38.283  294.280   6.8798  292.249   9.6665 2.031555 11.86479 
1 1 1   -5   11    8 o  582.188   8.7990  2291.85   65.774  2331.20  113.233  2271.81   80.804  585.752   14.265  578.625   10.305 7.126892 17.59805 
1 1 1   -5   11    9 o  722.108   10.546  3462.03   95.333  3337.49  113.712  3756.65  174.893  701.146   11.968  743.070   17.368 -41.92358 21.09241 
1 1 1   -5   11   10 o  496.996   7.9763  1615.90   49.209  1532.35   58.123  1827.36   92.468  475.290   9.0241  518.702   13.155 -43.41150 15.95263 
1 1 1   -5   11   11 o  353.681   6.7082  854.747   29.852  865.365   36.169  832.058   52.873  357.236   7.4714  350.127   11.144 7.108673 13.41642 
1 1 1   -5   11   12 o  753.438   10.916  3898.50  106.099  3992.40  132.150  3728.18  177.972  766.739   12.719  740.138   17.744 26.60077 21.83154 
1 1 1   -5   11   13 f  580.937   8.3311  2310.29   57.229  2330.67   66.495  2252.09  112.392  586.202   8.3706  575.673   14.407 10.52881 16.66227 
1 1 1   -5   11   14 o  393.643   6.4162  1045.90   29.738  1040.56   34.354  1061.85   59.394  391.765   6.4709  395.520   11.081 -3.754883 12.83231 
1 1 1   -5   11   15 o  339.305   5.9622  786.506   23.969  792.556   27.870  769.315   46.978  341.918   6.0149  336.692   10.296 5.225677 11.92434 
1 1 1   -5   11   16 o  331.165   5.8697  741.691   22.966  739.426   26.592  748.340   45.561  330.258   5.9417  332.072   10.125 -1.814148 11.73934 
1 1 1   -5   11   17 o  235.055   5.1924  367.814   14.511  360.631   16.791  389.005   28.840  230.652   5.3720  239.459   8.8874 -8.807404 10.38480 
1 1 1   -5   11   18 o  323.414   5.8417  716.817   22.447  724.906   26.163  694.251   43.697  326.995   5.9043  319.833   10.082 7.161987 11.68349 
1 1 1   -5   11   19 o  423.315   7.2396  1247.90   39.894  1348.90   51.116  1090.51   63.811  445.915   8.4590  400.715   11.751 45.20099 14.47910 
1 1 1   -5   11   20 o  256.413   5.3770  448.815   16.471  452.086   19.235  439.823   31.889  258.238   5.4966  254.589   9.2431 3.649124 10.75392 
1 1 1   -5   11   21 o  336.227   6.2705  745.495   27.025  704.144   32.812  832.719   47.655  322.205   7.5148  350.248   10.040 -28.04343 12.54108 
1 1 1   -5   11   22 o  359.060   6.1200  873.080   26.075  871.260   30.268  878.318   51.347  358.458   6.2311  359.661   10.535 -1.203583 12.23991 
1 1 1   -5   11   23 o  401.179   6.8840  1058.19   35.134  998.115   42.325  1191.31   63.007  383.557   8.1431  418.802   11.102 -35.24475 13.76808 
1 1 1   -5   11   24 o  266.040   5.4747  479.179   17.361  478.101   20.201  482.225   33.955  265.547   5.6136  266.533   9.4008 -0.9858398 10.94931 
1 1 1   -5   11   25 o  294.205   5.9999  577.326   22.818  555.235   28.057  620.478   39.214  286.098   7.2368  302.311   9.5720 -16.21323 11.99979 
1 1 1   -5   11   26 o  221.652   5.7438  340.214   16.639  362.610   21.328  305.385   26.597  231.214   6.8068  212.091   9.2539 19.12260 11.48769 
1 1 1   -5   11   27 o  327.911   5.8879  731.269   22.966  732.903   26.724  726.651   44.915  328.745   5.9986  327.078   10.133 1.667206 11.77584 
1 1 1   -5   11   28 o  179.576   6.4731  218.730   15.752   0.0000   0.0000  218.730   15.752  ?   ?   179.576   6.4731      ?      ? 
1 1 1   -5   11   29 o  284.376   5.9938  536.539   21.586  583.729   38.782  515.358   25.982  293.141   9.7627  275.611   6.9565 17.52927 11.98767 
1 1 1   -5   11   30 o  199.835   6.6968  271.317   18.131  264.912   25.670  277.694   25.612  197.475   9.5925  202.196   9.3472 -4.720932 13.39351 
1 1 1   -5   11   31 o  309.972   5.0464  651.937   21.196  646.446   29.748  657.600   30.208  308.648   7.1124  311.296   7.1609 -2.648132 10.09283 
1 1 1   -5   11   32 o  334.255   10.581  759.678   47.930   0.0000   0.0000  759.678   47.930  ?   ?   334.255   10.581      ?      ? 
1 1 1   -5   11   33 o  245.906   6.6554  410.320   22.178  410.320   22.178   0.0000   0.0000  245.906   6.6554  ?   ?       ?      ? 
1 1 1   -5   11   34 f   91.582   6.3325   53.855   7.6334   41.058   9.6273   75.521   12.527   77.731   9.1396  105.434   8.7676 -27.70277 12.66508 
1 1 1   -5   11   35 o  212.809   5.4854  304.062   15.089  296.315   18.604  318.957   25.796  208.958   6.5699  216.661   8.7861 -7.702560 10.97079 
1 1 1   -5   11   36 o  126.350   4.9163  107.839   8.3571  127.411   12.263   90.865   11.420  137.014   6.6045  115.686   7.2843 21.32797 9.832659 
1 1 1   -5   11   37 f  264.467   6.8295  474.794   24.476  474.794   24.476   0.0000   0.0000  264.467   6.8295  ?   ?       ?      ? 
1 1 1   -5   11   38 f  207.875   4.6482  293.421   13.088  289.168   18.700  297.505   18.324  206.392   6.6862  209.359   6.4589 -2.967178 9.296325 
1 1 1   -5   11   39 o  311.748   5.0823  660.013   21.467  644.470   30.285  675.710   30.434  308.052   7.2546  315.444   7.1197 -7.391357 10.16461 
1 1 1   -5   11   40 o  304.152   7.1043  628.258   29.281   0.0000   0.0000  628.258   29.281  ?   ?   304.152   7.1043      ?      ? 
1 1 1   -5   11   41 o  247.317   4.8003  414.264   16.067  441.163   23.414  390.324   22.088  254.885   6.7787  239.748   6.7986 15.13728 9.600612 
1 1 1   -5   11   42 o  322.039   5.1885  704.616   22.638  684.405   31.914  725.085   32.116  317.381   7.4202  326.697   7.2543 -9.316071 10.37708 
1 1 1   -5   11   43 o  253.291   5.8795  434.514   18.949  441.408   33.203  431.184   23.077  254.619   9.6228  251.962   6.7586 2.657135 11.75909 
1 1 1   -5   11   44 o  213.273   6.6015  308.931   19.079   0.0000   0.0000  308.931   19.079  ?   ?   213.273   6.6015      ?      ? 
1 1 1   -5   11   45 o  167.018   5.9460  189.437   12.420  190.642   22.422  188.904   14.918  167.271   9.8918  166.764   6.6011 0.5066223 11.89205 
1 1 1   -5   11   46 o  186.987   4.7442  237.487   12.014  239.079   17.314  236.009   16.685  187.583   6.8110  186.390   6.6059 1.193085 9.488340 
1 1 1   -5   11   47 o  233.097   4.7927  367.960   15.114  394.245   22.130  344.985   20.690  240.872   6.7798  225.322   6.7761 15.54994 9.585477 
1 1 1   -5   11   48 o  191.155   4.7800  247.699   12.361  258.692   18.134  238.157   16.894  195.098   6.8590  187.211   6.6593 7.887390 9.559939 
1 1 1   -5   11   49 o  263.502   4.9165  471.226   17.540  490.354   25.474  453.982   24.187  268.572   6.9993  258.431   6.9064 10.14142 9.832998 
1 1 1   -5   11   50 o  306.079   6.3428  628.281   24.859  608.528   30.298  668.964   43.482  299.098   7.4752  313.060   10.249 -13.96271 12.68570 
1 1 1   -5   11   51 o  257.689   6.0729  444.523   20.040  429.225   24.412  476.133   35.092  251.218   7.1710  264.160   9.8029 -12.94199 12.14576 
1 1 1   -5   11   52 o  334.727   7.6536  762.534   34.717  762.534   34.717   0.0000   0.0000  334.727   7.6536  ?   ?       ?      ? 
1 1 1   -5   11   53 o  253.347   4.9745  436.518   17.062  438.207   24.697  434.976   23.599  253.795   7.1810  252.899   6.8858 0.8962402 9.948960 
1 1 1   -5   11   54 o  223.289   4.9301  339.281   14.900  336.629   21.567  341.703   20.609  222.430   7.1549  224.147   6.7847 -1.716888 9.860279 
1 1 1   -5   11   55 o  167.217   6.8127  190.203   15.438   0.0000   0.0000  190.203   15.438  ?   ?   167.217   6.8127      ?      ? 
1 1 1   -5   11   56 o  158.748   5.1068  173.333   10.837  141.988   15.430  203.848   15.225  144.366   7.8872  173.130   6.4892 -28.76463 10.21357 
1 1 1   -5   11   57 o  172.356   4.9455  201.750   11.525  208.378   16.984  196.093   15.690  174.955   7.1634  169.756   6.8205 5.198593 9.891077 
1 1 1   -5   11   58 o  185.032   5.9206  236.267   14.356  244.981   18.316  222.386   23.118  189.680   7.1256  180.385   9.4572 9.295471 11.84115 
1 1 1   -5   11   59 o  170.694   5.8590  197.071   13.214  191.237   16.794  206.554   21.411  167.528   7.3976  173.860   9.0876 -6.331879 11.71791 
1 1 1   -5   11   60 o  156.883   6.4881  174.795   12.477  152.518   22.407  184.807   15.022  149.025   11.095  164.741   6.7287 -15.71609 12.97610 
1 1 1   -5   11   61 o  176.766   6.0810  201.478   13.384  244.458   25.337  184.842   15.763  188.850   9.9006  164.681   7.0635 24.16917 12.16199 
1 1 1   -5   11   62 o  100.637   5.9930   69.309   8.1245   68.764   12.143   69.752   10.932  100.227   8.9405  101.048   7.9832 -0.8217545 11.98600 
1 1 1   -5   11   63 o  120.430   5.5209   99.757   8.9466   91.687   13.097  106.816   12.250  115.760   8.3491  125.099   7.2261 -9.338661 11.04189 
1 1 1   -5   11   64 o   98.070   5.9966   65.752   7.9468   67.648   11.755   64.155   10.785   99.338   8.7319   96.803   8.2213 2.534538 11.99315 
1 1 1   -5   11   65 o   91.493   7.6622   57.560   8.8230   58.620   15.763   57.077   10.647   91.775   12.674   91.210   8.6142 0.5643921 15.32445 
1 1 1   -5   11   66 o  141.132   7.5009  137.985   14.303  125.460   20.168  150.659   20.287  134.553   11.061  147.711   10.135 -13.15860 15.00178 
1 1 1   -5   11   67 o   98.300   6.1235   66.521   8.1317   65.905   11.948   67.053   11.099   97.813   9.0141   98.786   8.2908 -0.9728317 12.24710 
1 1 1   -5   11   68 o  108.305   5.6808   80.252   8.3176   86.890   12.274   74.616   11.311  112.422   8.0567  104.188   8.0109 8.233467 11.36159 
1 1 1   -5   11   69 o   60.799   8.4529   26.802   6.7011   25.976   9.8003   27.527   9.1834   59.738   12.507   61.859   11.374 -2.120403 16.90577 
1 1 1   -5   11   70 o  126.555   7.7178  110.298   13.236  110.298   13.236   0.0000   0.0000  126.555   7.7178  ?   ?       ?      ? 
1 1 1   -5   11   71 o   52.912   8.9976   20.509   6.3780   23.427   9.3605   17.981   8.7139   56.445   12.561   49.378   12.886 7.067631 17.99512 
1 1 1   -5   11   72 o  109.191   5.6511   83.051   8.2915   71.654   11.817   94.102   11.637  101.588   8.5838  116.794   7.3525 -15.20640 11.30229 
1 1 1   -5   11   73 o   56.318   8.7548   23.429   6.5209   28.053   9.4322   19.196   9.0251   61.923   11.668   50.712   13.055 11.21159 17.50965 
1 1 1   -5   11   74 o   41.672   9.9841   12.472   6.9219   5.4156   12.140   15.871   8.4257   37.215   15.201   46.128   12.949 -8.913254 19.96822 
1 1 1   -5   11   75 o   92.094   7.3677   57.958   8.7566   67.899   15.313   53.129   10.674   97.216   11.624   86.972   9.0566 10.24406 14.73548 
1 1 1   -5   11   76 o  102.404   8.3108   73.919   11.277   99.205   17.361   55.460   14.833  117.636   10.890   87.171   12.557 30.46474 16.62160 
1 1 1   -5   11   77 o   61.039   15.390   29.424   12.727   0.0000   0.0000   29.424   12.727  ?   ?    61.039   15.390      ?      ? 
1 1 1   -5   11   78 o   38.521   10.273   9.2145   7.0311   10.872   12.020   8.3523   8.6691   40.987   15.612   36.056   13.359 4.931824 20.54684 
1 1 1   -5   11   79 o   62.601   11.292   30.536   10.208   16.505   13.606   48.608   15.441   46.708   16.825   78.493   15.064 -31.78534 22.58311 
1 1 1   -5   11   80 o   75.507   10.537   43.693   10.513   31.925   13.854   59.667   16.141   62.291   16.244   88.723   13.425 -26.43233 21.07360 
1 1 1   -5   11   81 o   51.514   17.813   22.014   15.134   0.0000   0.0000   22.014   15.134  ?   ?    51.514   17.813      ?      ? 
1 1 1   -5   11   82 o   37.835   16.017   5.7555   14.187   0.0000   0.0000   5.7555   14.187  ?   ?    37.835   16.017      ?      ? 
1 1 1   -5   11   83 o   86.705   10.140   56.314   11.271   39.696   14.378   82.798   18.151   69.289   15.679  104.121   12.864 -34.83150 20.28097 
1 1 1   -5   11   84 o   33.100   10.225   1.7338   8.6524   4.1964   11.025  -2.2142   13.960   33.599   14.166   32.601   14.749 0.9981956 20.44979 
1 1 1   -5   11   85 o   76.704   10.659   49.022   10.617   53.251   13.898   43.095   16.452   83.403   12.297   70.004   17.414 13.39879 21.31814 
1 1 1   -5   11   86 o   58.514   11.919   30.049   9.8308   28.189   12.721   32.808   15.490   57.063   15.873   59.965   17.785 -2.902153 23.83770 
1 1 1   -5   11   87 o   50.145   11.279   16.731   9.6108   2.8666   12.028   41.211   15.983   32.976   14.362   67.314   17.396 -34.33802 22.55830 
1 1 1   -5   11   88 o   49.540   12.042   22.438   9.6509   21.448   12.454   23.925   15.269   48.811   16.164   50.269   17.854 -1.457958 24.08381 
1 1 1   -5   11   89 o   51.056   10.523   18.717   9.7580  -1.7604   12.953   45.592   14.839   30.572   13.977   71.541   15.734 -40.96902 21.04515 
1 1 1   -5   11   90 o   38.279   15.495   11.395   12.479   11.395   12.479   0.0000   0.0000   38.279   15.495  ?   ?       ?      ? 
1 1 1   -5   11   91 o   44.899   16.662   19.947   13.497   19.947   13.497   0.0000   0.0000   44.899   16.662  ?   ?       ?      ? 
1 1 1   -5   11   92 o   41.863   16.426   17.458   13.595   17.458   13.595   0.0000   0.0000   41.863   16.426  ?   ?       ?      ? 
1 1 1   -5   12    1 o  338.471   5.2316  775.456   23.968  745.737   32.934  808.916   34.946  331.594   7.3292  345.348   7.4673 -13.75449 10.46317 
1 1 1   -5   12    2 o  229.366   6.5427  356.734   20.336  356.734   20.336   0.0000   0.0000  229.366   6.5427  ?   ?       ?      ? 
1 1 1   -5   12    3 o  238.815   6.7848  385.216   21.728  374.770   28.555  399.582   33.487  235.013   8.9663  242.617   10.185 -7.604065 13.56967 
1 1 1   -5   12    4 o  366.461   6.7495  901.826   31.080  886.242   37.340  936.977   56.078  361.470   7.6228  371.452   11.141 -9.981995 13.49892 
1 1 1   -5   12    5 o  218.266   5.8741  320.483   15.856  316.641   18.838  329.821   29.366  216.095   6.4330  220.436   9.8305 -4.341446 11.74825 
1 1 1   -5   12    6 o  271.212   4.8212  498.044   17.700  483.330   24.346  514.540   25.778  266.972   6.7295  275.451   6.9058 -8.478760 9.642428 
1 1 1   -5   12    7 o  165.688   4.6783  184.884   10.468  167.625   14.162  205.666   15.541  157.223   6.6470  174.153   6.5850 -16.93021 9.356522 
1 1 1   -5   12    8 o  363.942   5.4242  898.497   26.745  901.039   37.449  895.850   38.210  364.472   7.5821  363.412   7.7588 1.060150 10.84838 
1 1 1   -5   12    9 o  202.290   4.6742  275.029   12.755  245.109   17.167  311.896   19.056  190.117   6.6634  214.463   6.5569 -24.34612 9.348486 
1 1 1   -5   12   10 o  259.169   4.7965  455.630   16.837  459.516   23.491  451.525   24.144  260.310   6.6594  258.028   6.9049 2.281494 9.592974 
1 1 1   -5   12   11 o  292.318   4.9685  579.182   19.670  569.915   27.269  589.234   28.400  289.885   6.9417  294.750   7.1102 -4.865387 9.936899 
1 1 1   -5   12   12 o  317.734   5.8557  692.333   22.020  700.286   25.614  669.808   43.106  321.375   5.8814  314.092   10.127 7.283051 11.71134 
1 1 1   -5   12   13 o  395.054   6.5400  1086.44   30.760  1118.06   36.066  1002.07   58.912  406.039   6.5546  384.068   11.319 21.97095 13.07996 
1 1 1   -5   12   14 o  396.095   6.4856  1066.37   30.291  1067.88   35.077  1061.93   60.071  396.819   6.5230  395.371   11.212 1.448578 12.97129 
1 1 1   -5   12   15 o  324.655   5.8719  710.757   22.438  706.268   25.909  724.224   44.876  322.735   5.9240  326.575   10.140 -3.840515 11.74380 
1 1 1   -5   12   16 o  294.074   6.1403  599.312   23.420  634.112   29.647  541.551   38.195  305.747   7.1554  282.402   9.9805 23.34470 12.28051 
1 1 1   -5   12   17 f  177.343   5.6788  216.492   13.154  225.878   16.729  201.292   21.289  182.488   6.7649  172.198   9.1230 10.29024 11.35752 
1 1 1   -5   12   18 o  177.746   5.2003  214.061   11.015  213.756   12.817  214.922   21.539  177.557   5.3269  177.934   8.9329 -0.3766785 10.40057 
1 1 1   -5   12   19 o  165.640   5.5570  198.572   10.827  213.555   12.788  160.662   20.342  177.472   5.3174  153.809   9.7595 23.66364 11.11404 
1 1 1   -5   12   20 o  517.756   8.2267  1853.73   55.245  1938.92   69.686  1709.62   90.637  534.318   9.6242  501.195   13.345 33.12311 16.45331 
1 1 1   -5   12   21 o  571.089   8.7780  2217.91   64.305  2216.25   79.084  2221.17  110.474  571.141   10.218  571.038   14.276 0.1024780 17.55606 
1 1 1   -5   12   22 o  411.591   7.1207  1162.64   37.918  1191.69   47.394  1110.98   63.202  418.983   8.3473  404.199   11.539 14.78415 14.24143 
1 1 1   -5   12   23 o  508.868   7.5723  1736.88   45.097  1714.43   51.848  1806.64   91.394  502.608   7.6124  515.128   13.092 -12.51910 15.14463 
1 1 1   -5   12   24 o  462.627   7.1463  1460.74   39.128  1467.41   45.438  1441.60   76.966  465.018   7.2105  460.236   12.341 4.781647 14.29263 
1 1 1   -5   12   25 o  363.601   10.709  898.913   52.767   0.0000   0.0000  898.913   52.767  ?   ?   363.601   10.709      ?      ? 
1 1 1   -5   12   26 o  294.234   5.9942  586.493   22.581  583.554   27.684  592.336   39.032  293.244   6.9666  295.224   9.7563 -1.980133 11.98831 
1 1 1   -5   12   27 o  316.219   6.1521  678.128   24.914  675.877   30.567  682.584   43.005  315.567   7.1478  316.871   10.015 -1.304535 12.30422 
1 1 1   -5   12   28 o  274.787   6.8465  512.443   25.494  512.443   25.494   0.0000   0.0000  274.787   6.8465  ?   ?       ?      ? 
1 1 1   -5   12   29 o  165.922   6.5252  186.820   14.672  186.820   14.672   0.0000   0.0000  165.922   6.5252  ?   ?       ?      ? 
1 1 1   -5   12   30 o  154.429   5.3874  165.614   10.039  170.291   11.858  153.787   18.858  158.443   5.5230  150.415   9.2516 8.027893 10.77477 
1 1 1   -5   12   31 o  239.975   5.6462  388.304   17.443  382.167   21.454  400.271   29.959  237.288   6.6720  242.662   9.1105 -5.374130 11.29231 
1 1 1   -5   12   32 o  152.563   4.6480  157.917   9.6075  161.891   13.745  154.121   13.434  154.439   6.5677  150.687   6.5789 3.752274 9.296025 
1 1 1   -5   12   33 o  180.210   4.6236  220.570   11.282  210.777   15.975  230.316   15.936  176.209   6.6901  184.210   6.3837 -8.001785 9.247122 
1 1 1   -5   12   34 o  361.891   6.6635  869.355   30.317  948.064   55.239  835.429   36.267  373.090   10.926  350.693   7.6313 22.39716 13.32701 
1 1 1   -5   12   35 o  187.743   6.7316  239.352   17.110  251.314   24.851  228.572   23.592  192.192   9.5417  183.294   9.4980 8.898483 13.46313 
1 1 1   -5   12   36 o  123.279   6.4696  107.730   10.072  117.146   12.520   90.457   16.957  131.335   7.0347  115.223   10.860 16.11235 12.93928 
1 1 1   -5   12   37 o  247.655   6.8099  416.521   22.854  416.521   22.854   0.0000   0.0000  247.655   6.8099  ?   ?       ?      ? 
1 1 1   -5   12   38 o  281.909   7.0385  539.844   26.889  539.844   26.889   0.0000   0.0000  281.909   7.0385  ?   ?       ?      ? 
1 1 1   -5   12   39 o  148.645   5.8067  151.380   11.026  146.813   18.945  153.719   13.559  146.846   9.5205  150.445   6.6506 -3.598907 11.61335 
1 1 1   -5   12   40 o  140.737   5.9080  132.818   10.532  140.058   18.781  129.498   12.720  143.403   9.6643  138.070   6.7982 5.332733 11.81590 
1 1 1   -5   12   41 o  216.701   6.6459  318.988   19.516   0.0000   0.0000  318.988   19.516  ?   ?   216.701   6.6459      ?      ? 
1 1 1   -5   12   42 f  123.076   5.1789  102.964   8.6067  102.982   12.720  102.949   11.688  123.069   7.6273  123.083   7.0077 -0.1373291E-01 10.35773 
1 1 1   -5   12   43 o  163.874   4.8133  181.684   10.665  197.348   15.681  168.199   14.549  170.420   6.7899  157.329   6.8240 13.09055 9.626582 
1 1 1   -5   12   44 o  168.818   4.7844  194.022   10.920  187.397   15.819  200.054   15.094  166.040   7.0306  171.597   6.4910 -5.556137 9.568789 
1 1 1   -5   12   45 o   86.136   6.1657   50.869   7.1281   47.652   10.644   53.486   9.5985   83.615   9.3935   88.658   7.9892 -5.042618 12.33146 
1 1 1   -5   12   46 o  192.261   4.7365  250.864   12.328  259.490   17.925  243.122   16.982  195.386   6.7701  189.136   6.6259 6.250107 9.472908 
1 1 1   -5   12   47 o   86.932   7.6760   51.736   8.6551   51.978   10.796   51.301   14.480   87.325   9.1231   86.540   12.347 0.7844543 15.35198 
1 1 1   -5   12   48 o  141.708   6.1988  134.980   11.381  130.697   14.053  143.141   19.399  138.596   7.4826  144.820   9.8848 -6.224045 12.39753 
1 1 1   -5   12   49 o  202.277   4.8450  278.773   13.254  266.132   19.061  290.608   18.443  197.800   7.1109  206.753   6.5827 -8.953018 9.690086 
1 1 1   -5   12   50 o  175.199   4.9578  209.568   11.723  197.395   17.040  220.507   16.153  170.313   7.3831  180.085   6.6188 -9.771530 9.915608 
1 1 1   -5   12   51 o  151.294   5.0828  155.495   10.386  158.818   15.404  152.725   14.062  152.750   7.4416  149.837   6.9256 2.912933 10.16570 
1 1 1   -5   12   52 o  107.187   5.8387   79.826   8.3116   64.788   12.147   93.068   11.398   97.433   9.1995  116.941   7.1925 -19.50820 11.67744 
1 1 1   -5   12   53 o  106.077   5.8122   77.416   8.2607   70.796   12.314   82.834   11.139  101.859   8.9211  110.296   7.4525 -8.436996 11.62433 
1 1 1   -5   12   54 o  153.130   5.0753  160.026   10.487  155.007   15.422  164.343   14.302  150.854   7.5440  155.408   6.7913 -4.554077 10.15060 
1 1 1   -5   12   55 o  124.393   5.5278  104.576   9.2594  113.222   14.084   97.993   12.289  128.859   8.0652  119.926   7.5616 8.933182 11.05550 
1 1 1   -5   12   56 o  263.252   6.0480  462.395   20.697  437.177   25.550  510.534   35.300  253.288   7.4438  273.217   9.5343 -19.92935 12.09597 
1 1 1   -5   12   57 o  253.657   7.0930  439.754   24.313  453.989   35.971  427.782   32.990  257.348   10.315  249.967   9.7391 7.381424 14.18597 
1 1 1   -5   12   58 o  175.313   6.2477  207.203   13.596  217.575   25.113  202.903   16.171  178.063   10.408  172.563   6.9152 5.500183 12.49548 
1 1 1   -5   12   59 o  168.963   5.1033  192.219   11.609  219.918   17.639  171.053   15.420  179.559   7.2492  158.368   7.1850 21.19102 10.20662 
1 1 1   -5   12   60 o  230.444   7.2595  362.442   22.670  362.442   22.670   0.0000   0.0000  230.444   7.2595  ?   ?       ?      ? 
1 1 1   -5   12   61 o  158.486   5.1334  171.683   10.983  169.905   16.206  173.194   14.938  157.670   7.5846  159.303   6.9195 -1.633682 10.26678 
1 1 1   -5   12   62 o   58.600   8.4050   22.119   6.9273   45.423   11.025   6.9184   8.9044   81.207   10.019   35.993   13.498 45.21376 16.81002 
1 1 1   -5   12   63 o  130.319   7.6830  117.393   13.556  120.508   19.685  114.582   18.695  131.925   11.011  128.713   10.718 3.212067 15.36609 
1 1 1   -5   12   64 o   84.063   8.4500   48.580   8.8403   50.918   16.210   47.590   10.547   85.038   14.067   83.088   9.3670 1.949829 16.90002 
1 1 1   -5   12   65 o   88.582   6.5175   54.602   7.7268   50.730   11.626   57.666   10.341   85.598   10.023   91.565   8.3342 -5.967049 13.03494 
1 1 1   -5   12   66 o  123.903   5.5086  106.581   9.1520   94.787   13.428  116.813   12.507  117.281   8.4488  130.524   7.0709 -13.24298 11.01726 
1 1 1   -5   12   67 o  120.104   5.5094  100.280   8.8740   87.576   12.892  111.719   12.233  112.638   8.4461  127.570   7.0764 -14.93226 11.01874 
1 1 1   -5   12   68 o   76.928   7.0021   40.445   7.2184   49.862   11.040   33.415   9.5400   84.658   9.6236   69.197   10.174 15.46076 14.00414 
1 1 1   -5   12   69 o   39.020   9.2817   9.0183   6.0820   16.248   9.3111   3.6379   8.0323   47.016   13.746   31.025   12.476 15.99068 18.56334 
1 1 1   -5   12   70 o   74.977   7.0599   39.494   7.1110   38.778   10.722   40.057   9.5013   74.191   10.664   75.763   9.2543 -1.572151 14.11980 
1 1 1   -5   12   71 o   63.337   9.7497   30.956   7.6899   26.081   13.966   33.077   9.2121   58.085   16.793   68.589   9.9111 -10.50399 19.49944 
1 1 1   -5   12   72 o   85.112   10.108   58.150   10.589   35.260   16.083   75.667   14.069   66.714   17.553  103.510   10.030 -36.79557 20.21641 
1 1 1   -5   12   73 o   33.202   12.831   5.8649   8.1990   0.0000   0.0000   5.8649   8.1990  ?   ?    33.202   12.831      ?      ? 
1 1 1   -5   12   74 f   30.797   9.2664   1.8739   6.5516  -1.2040   11.489   3.3569   7.9752   31.361   13.835   30.233   12.331 1.127787 18.53276 
1 1 1   -5   12   75 o   49.714   10.868   18.323   8.3500   27.043   12.512   11.320   11.212   58.366   15.542   41.061   15.196 17.30552 21.73660 
1 1 1   -5   12   76 o   66.678   11.422   36.090   10.184   37.926   13.582   33.731   15.392   69.433   14.882   63.924   17.332 5.509617 22.84495 
1 1 1   -5   12   77 o  103.391   8.5427   79.316   11.917   85.111   16.614   73.176   17.103  107.786   11.374   98.996   12.749 8.790497 17.08533 
1 1 1   -5   12   78 o   81.589   10.302   51.466   11.034   41.328   14.914   63.725   16.400   71.359   15.837   91.820   13.180 -20.46120 20.60370 
1 1 1   -5   12   79 o   48.373   11.859   18.510   9.3491   16.798   12.091   21.054   14.744   46.172   15.924   50.575   17.577 -4.402206 23.71767 
1 1 1   -5   12   80 o   37.246   15.977   4.5472   14.447   0.0000   0.0000   4.5472   14.447  ?   ?    37.246   15.977      ?      ? 
1 1 1   -5   12   81 o   78.852   16.921   52.522   17.540   0.0000   0.0000   52.522   17.540  ?   ?    78.852   16.921      ?      ? 
1 1 1   -5   12   82 o   37.728   11.007   5.8898   8.9153   1.1530   11.172   14.196   14.794   31.562   13.791   43.894   17.159 -12.33229 22.01425 
1 1 1   -5   12   83 o   41.350   11.112   8.6595   9.0414  -0.7225   11.482   23.971   14.668   30.564   13.637   52.135   17.548 -21.57041 22.22354 
1 1 1   -5   12   84 o   44.704   11.523   16.578   9.1661   19.053   11.856   12.901   14.452   47.326   15.776   42.081   16.800 5.245136 23.04591 
1 1 1   -5   12   85 o   22.427   10.824 -12.1816   9.8867 -12.1816   9.8867   0.0000   0.0000   22.427   10.824  ?   ?       ?      ? 
1 1 1   -5   12   86 o   32.351   10.193   1.2902   8.9409   1.7624   11.640   0.6107   13.963   31.621   13.939   33.080   14.877 -1.458893 20.38681 
1 1 1   -5   12   87 o   37.617   10.901   8.8575   9.0239   3.3696   12.246   15.378   13.349   32.872   14.399   42.361   16.372 -9.488762 21.80253 
1 1 1   -5   12   88 o   28.200   9.3044  -4.8554   8.5764  -6.7072   11.190  -2.2193   13.352   26.012   12.257   30.388   14.002 -4.375908 18.60883 
1 1 1   -5   12   89 o   23.196   11.282 -13.5548   11.295 -13.5548   11.295   0.0000   0.0000   23.196   11.282  ?   ?       ?      ? 
1 1 1   -5   12   90 o   28.007   12.961  -2.2306   11.628  -2.2306   11.628   0.0000   0.0000   28.007   12.961  ?   ?       ?      ? 
1 1 1   -5   13    1 o  161.270   4.7483  176.088   10.356  171.412   14.122  181.528   15.231  158.963   6.5556  163.577   6.8710 -4.614471 9.496693 
1 1 1   -5   13    2 o  229.218   4.7126  355.580   14.614  342.505   19.983  370.614   21.428  224.703   6.5626  233.733   6.7651 -9.030441 9.425179 
1 1 1   -5   13    3 o  229.644   4.7022  358.185   14.614  369.975   20.385  345.718   20.962  233.545   6.4411  225.743   6.8524 7.802017 9.404462 
1 1 1   -5   13    4 o  149.832   4.7810  151.496   9.6793  141.868   13.094  163.095   14.373  144.613   6.6815  155.051   6.8403 -10.43744 9.562037 
1 1 1   -5   13    5 o  204.164   4.6507  283.257   12.844  295.431   17.908  270.361   18.431  208.698   6.3321  199.630   6.8132 9.068192 9.301324 
1 1 1   -5   13    6 o  172.705   4.6706  202.044   10.915  197.290   14.966  207.446   15.953  170.542   6.4759  174.868   6.7320 -4.326691 9.341133 
1 1 1   -5   13    7 o  284.511   4.9405  548.710   19.031  538.534   26.263  559.960   27.615  281.742   6.8787  287.280   7.0934 -5.538239 9.880900 
1 1 1   -5   13    8 o  193.305   4.6594  253.050   12.185  246.421   16.670  260.653   17.855  190.597   6.4543  196.014   6.7218 -5.417068 9.318818 
1 1 1   -5   13    9 o  156.738   4.7573  166.842   10.074  169.115   13.779  164.233   14.767  157.894   6.4399  155.582   7.0040 2.311813 9.514602 
1 1 1   -5   13   10 o  230.291   4.7359  358.509   14.750  339.743   20.097  380.419   21.716  223.785   6.6271  236.797   6.7673 -13.01163 9.471786 
1 1 1   -5   13   11 o  384.350   5.6132  1000.88   29.203  964.883   40.151  1041.32   42.554  377.033   7.8583  391.667   8.0175 -14.63446 11.22650 
1 1 1   -5   13   12 o  271.710   5.8681  492.188   20.316  475.605   24.625  527.531   35.950  264.759   6.8635  278.662   9.5200 -13.90305 11.73618 
1 1 1   -5   13   13 o  137.719   5.4731  129.004   8.9772  129.296   10.453  128.184   17.523  138.075   5.5867  137.364   9.4133 0.7110596 10.94630 
1 1 1   -5   13   14 o  221.406   5.8277  339.545   16.750  358.615   21.216  307.990   27.291  229.898   6.8100  212.915   9.4588 16.98225 11.65530 
1 1 1   -5   13   15 o  315.846   5.8657  680.065   21.952  682.959   25.504  671.791   43.121  317.311   5.9312  314.381   10.122 2.930481 11.73142 
1 1 1   -5   13   16 o  198.001   5.7793  271.584   14.867  287.127   18.856  246.046   24.170  205.706   6.7642  190.297   9.3726 15.40965 11.55850 
1 1 1   -5   13   17 o  179.844   5.6991  221.614   13.384  227.440   16.934  211.914   21.848  183.076   6.8256  176.612   9.1286 6.463898 11.39825 
1 1 1   -5   13   18 o  250.154   5.4335  422.286   16.087  419.631   18.630  430.071   31.897  248.736   5.5270  251.574   9.3564 -2.838013 10.86691 
1 1 1   -5   13   19 o  162.898   5.3097  180.681   10.320  181.285   12.033  179.001   20.071  163.488   5.4312  162.307   9.1255 1.181396 10.61942 
1 1 1   -5   13   20 o  240.055   5.3738  385.851   15.336  380.154   17.766  402.508   30.378  236.739   5.5377  243.370   9.2112 -6.630905 10.74761 
1 1 1   -5   13   21 o  319.415   5.9055  693.120   22.295  693.216   25.843  692.840   44.090  319.654   5.9659  319.176   10.194 0.4779663 11.81107 
1 1 1   -5   13   22 o  327.424   5.9456  724.109   22.981  719.805   26.581  736.846   45.732  325.717   6.0221  329.131   10.253 -3.414337 11.89116 
1 1 1   -5   13   23 o  227.192   5.8494  355.345   17.312  368.831   21.905  332.908   28.254  233.099   6.9345  221.285   9.4221 11.81358 11.69888 
1 1 1   -5   13   24 o  139.341   6.8914  131.801   13.013  131.801   13.013   0.0000   0.0000  139.341   6.8914  ?   ?       ?      ? 
1 1 1   -5   13   25 o  153.701   5.6283  160.273   11.723  160.273   11.723   0.0000   0.0000  153.701   5.6283  ?   ?       ?      ? 
1 1 1   -5   13   26 o  247.436   5.4865  416.542   16.119  417.265   18.737  414.485   31.618  247.999   5.5754  246.873   9.4510 1.125809 10.97299 
1 1 1   -5   13   27 o  165.298   5.3263  186.674   10.664  188.036   12.556  183.149   20.201  166.478   5.5657  164.119   9.0829 2.358505 10.65252 
1 1 1   -5   13   28 o  234.737   5.3801  373.953   15.105  373.555   17.616  375.058   29.355  234.642   5.5400  234.832   9.2245 -0.1897583 10.76028 
1 1 1   -5   13   29 o  163.201   5.4641  185.490   10.706  191.088   12.617  171.093   20.233  167.817   5.5481  158.585   9.4151 9.231735 10.92819 
1 1 1   -5   13   30 o  172.584   5.4792  210.908   11.317  221.737   13.395  183.893   21.156  180.775   5.4680  164.394   9.4966 16.38084 10.95833 
1 1 1   -5   13   31 o  159.239   5.4078  173.308   10.473  174.609   12.365  170.005   19.705  160.404   5.6883  158.074   9.1988 2.329391 10.81551 
1 1 1   -5   13   32 o  231.609   5.7724  347.724   17.355  310.160   21.218  423.661   30.168  213.663   7.3282  249.554   8.9207 -35.89063 11.54474 
1 1 1   -5   13   33 o  216.082   5.6586  311.000   15.842  296.561   19.503  339.008   27.163  208.952   6.8876  223.213   8.9800 -14.26126 11.31725 
1 1 1   -5   13   34 f  127.555   5.9164  109.663   9.9664  106.386   12.653  115.019   16.176  125.117   7.4628  129.994   9.1826 -4.877480 11.83274 
1 1 1   -5   13   35 o  163.536   6.4368  182.114   14.259  179.013   20.354  185.104   19.981  162.155   9.2625  164.918   8.9407 -2.762360 12.87363 
1 1 1   -5   13   36 o  173.658   5.7412  208.738   12.688  194.257   21.717  216.242   15.633  168.884   9.4891  178.431   6.4653 -9.547241 11.48232 
1 1 1   -5   13   37 f  187.874   6.0404  244.692   14.072  228.859   25.298  251.786   16.934  183.218   10.189  192.529   6.4904 -9.310089 12.08073 
1 1 1   -5   13   38 o  203.102   5.8502  275.909   14.893  293.189   27.128  268.454   17.819  207.422   9.6511  198.781   6.6149 8.641647 11.70047 
1 1 1   -5   13   39 f  242.119   4.8219  398.434   15.813  396.498   22.697  400.260   22.043  241.535   6.9343  242.703   6.7022 -1.167282 9.643863 
1 1 1   -5   13   40 o   91.815   7.2836   52.158   8.4033   72.435   15.928   44.338   9.8920  102.954   11.416   80.676   9.0482 22.27834 14.56722 
1 1 1   -5   13   41 o  143.136   7.1933  140.149   13.910  134.146   20.204  145.558   19.179  140.168   10.637  146.103   9.6870 -5.935364 14.38668 
1 1 1   -5   13   42 o  269.313   4.9838  493.211   18.185  489.896   25.937  496.416   25.503  268.412   7.1307  270.214   6.9648 -1.802216 9.967691 
1 1 1   -5   13   43 o  167.294   4.8772  190.995   11.014  175.452   15.792  205.720   15.370  160.611   7.2556  173.977   6.5194 -13.36661 9.754315 
1 1 1   -5   13   44 o  160.527   6.1637  179.219   12.738  188.206   15.950  163.397   21.162  166.352   7.0756  154.701   10.095 11.65056 12.32738 
1 1 1   -5   13   45 o  219.002   5.9454  320.240   16.734  307.050   20.435  347.094   29.159  212.463   7.0975  225.540   9.5403 -13.07683 11.89084 
1 1 1   -5   13   46 o  143.198   7.0330  139.489   13.648   0.0000   0.0000  139.489   13.648  ?   ?   143.198   7.0330      ?      ? 
1 1 1   -5   13   47 o  181.848   4.9716  224.529   12.230  232.188   17.938  217.877   16.718  184.725   7.1659  178.971   6.8932 5.754974 9.943121 
1 1 1   -5   13   48 f   85.017   6.5495   49.755   7.4491   46.276   11.240   52.479   9.9471   82.288   10.080   87.746   8.3653 -5.458488 13.09905 
1 1 1   -5   13   49 o   40.475   9.7488   10.130   6.3705   12.747   9.7845   8.2047   8.3931   43.778   14.319   37.172   13.233 6.605927 19.49753 
1 1 1   -5   13   50 o   95.472   6.1338   62.723   7.8126   58.790   11.938   65.669   10.333   92.767   9.4961   98.177   7.7663 -5.410683 12.26753 
1 1 1   -5   13   51 o  183.819   4.9150  229.374   12.205  237.610   18.112  222.523   16.519  186.808   7.1545  180.830   6.7410 5.978363 9.829996 
1 1 1   -5   13   52 o   98.633   6.1632   67.194   8.1052   61.344   12.297   71.688   10.777   94.714   9.5810  102.551   7.7552 -7.836723 12.32632 
1 1 1   -5   13   53 o  237.417   5.9377  376.561   18.379  356.253   22.776  414.468   31.117  228.644   7.3508  246.191   9.3269 -17.54668 11.87538 
1 1 1   -5   13   54 o  142.702   6.3851  142.490   12.005  157.241   15.794  122.310   18.473  151.833   7.6762  133.571   10.206 18.26128 12.77017 
1 1 1   -5   13   55 o  108.210   7.2214   74.730   9.6047   93.914   18.716   67.873   11.191  116.747   11.830   99.672   8.2850 17.07419 14.44287 
1 1 1   -5   13   56 o   98.868   6.3031   67.105   8.3239   65.761   12.835   68.081   10.936   97.921   9.6723   99.815   8.0847 -1.893799 12.60612 
1 1 1   -5   13   57 o  188.346   7.4061  242.225   18.903  242.225   18.903   0.0000   0.0000  188.346   7.4061  ?   ?       ?      ? 
1 1 1   -5   13   58 o  133.744   5.4857  124.266   9.7762  107.416   14.544  138.155   13.204  125.206   8.5717  142.282   6.8484 -17.07638 10.97149 
1 1 1   -5   13   59 o   57.924   8.9935   24.867   6.9241   18.243   10.819   29.462   9.0111   50.469   14.835   65.379   10.171 -14.90968 17.98704 
1 1 1   -5   13   60 o  106.048   7.1132   75.868   9.9877   70.004   12.640   85.615   16.296  100.864   9.2477  111.232   10.811 -10.36873 14.22648 
1 1 1   -5   13   61 o   62.571   11.725   29.781   10.492   18.624   15.933   38.324   13.942   52.655   18.273   72.488   14.696 -19.83382 23.44943 
1 1 1   -5   13   62 o   76.744   9.9562   48.199   8.5460   31.072   16.468   54.512   9.9975   64.453   18.106   89.035   8.2861 -24.58138 19.91234 
1 1 1   -5   13   63 o   60.238   8.5631   26.821   6.7282   21.041   10.337   31.069   8.8625   53.513   14.068   66.963   9.7664 -13.44981 17.12611 
1 1 1   -5   13   64 o  113.195   5.5953   88.581   8.5321   84.383   12.586   92.151   11.606  110.589   8.3980  115.800   7.3961 -5.211510 11.19055 
1 1 1   -5   13   65 o   79.329   6.8268   42.613   7.2234   54.854   11.210   33.920   9.4461   88.888   9.3062   69.770   9.9908 19.11760 13.65366 
1 1 1   -5   13   66 o   95.544   6.0107   63.002   7.7586   66.294   11.527   60.275   10.491   97.767   8.7005   93.321   8.2956 4.446098 12.02142 
1 1 1   -5   13   67 o   70.438   8.1997   38.917   7.0581   18.053   10.205   58.049   9.7725   49.281   14.386   91.595   7.8732 -42.31413 16.39940 
1 1 1   -5   13   68 o   64.525   10.067   33.340   9.0474   15.764   13.710   46.900   12.042   47.645   16.918   81.405   10.916 -33.76037 20.13383 
1 1 1   -5   13   69 o   94.701   8.2200   67.834   9.2350   55.467   16.957   73.049   11.011   86.875   14.403  102.526   7.9254 -15.65121 16.43990 
1 1 1   -5   13   70 o   47.247   9.9025   10.825   7.0476   32.261   13.290   2.4389   8.3128   64.534   15.409   29.960   12.442 34.57407 19.80503 
1 1 1   -5   13   71 o   68.573   9.7025   39.502   8.1341   24.679   14.306   46.584   9.8880   55.802   17.207   81.344   8.9702 -25.54183 19.40508 
1 1 1   -5   13   72 o   69.474   9.5907   41.845   8.2522   21.647   13.919   52.792   10.247   52.403   17.076   86.545   8.7375 -34.14174 19.18145 
1 1 1   -5   13   73 o   70.622   10.148   38.979   9.5435   25.874   13.416   52.404   13.579   56.605   16.486   84.639   11.839 -28.03367 20.29646 
1 1 1   -5   13   74 o   65.549   15.619   34.484   13.676   34.484   13.676   0.0000   0.0000   65.549   15.619  ?   ?       ?      ? 
1 1 1   -5   13   75 o   81.402   10.200   51.236   10.978   45.439   15.098   57.739   15.989   75.488   15.284   87.315   13.513 -11.82642 20.40086 
1 1 1   -5   13   76 o   48.409   11.431   17.916   9.5698   27.867   13.314   7.2785   13.765   58.007   16.275   38.810   16.055 19.19707 22.86100 
1 1 1   -5   13   77 o   45.953   11.594   14.691   9.5046   6.5222   12.614   25.424   14.458   37.162   15.370   54.745   17.362 -17.58364 23.18770 
1 1 1   -5   13   78 o   66.809   11.473   35.929   10.283   27.271   13.329   48.657   16.162   56.854   16.397   76.764   16.053 -19.90934 22.94657 
1 1 1   -5   13   79 o   30.009   14.023  -8.2826   14.132   0.0000   0.0000  -8.2826   14.132  ?   ?    30.009   14.023      ?      ? 
1 1 1   -5   13   80 o   41.244   11.439   11.092   9.2218   7.4316   11.926   16.535   14.542   36.847   15.060   45.641   17.223 -8.794567 22.87865 
1 1 1   -5   13   81 o   51.804   11.083   23.391   9.3281   32.760   12.360   10.992   14.219   62.818   14.768   40.790   16.529 22.02763 22.16570 
1 1 1   -5   13   82 o   49.627   11.773   21.840   9.4745   24.636   12.386   17.897   14.710   53.182   15.933   46.072   17.335 7.109158 23.54500 
1 1 1   -5   13   83 o   59.491   11.896   30.341   10.059   21.785   12.873   43.760   16.121   49.432   16.437   69.551   17.200 -20.11868 23.79117 
1 1 1   -5   13   84 o   32.104   10.148   0.7741   8.8202  -0.7360   11.303   3.1253   14.104   29.693   13.367   34.514   15.272 -4.820498 20.29534 
1 1 1   -5   13   85 o   48.008   12.007   21.901   9.7812   23.103   12.906   20.280   14.993   49.654   16.455   46.362   17.489 3.291599 24.01360 
1 1 1   -5   13   86 o   41.029   11.030   8.9595   9.5228  -4.9266   12.309   29.664   15.030   28.042   13.098   54.016   17.751 -25.97404 22.06030 
1 1 1   -5   13   87 o   38.136   10.738   6.1695   9.4142  -8.2868   12.391   25.905   14.478   26.390   12.570   49.882   17.413 -23.49218 21.47604 
1 1 1   -5   13   88 o   61.269   16.543   37.692   14.057   37.692   14.057   0.0000   0.0000   61.269   16.543  ?   ?       ?      ? 
1 1 1   -5   14    1 o  332.452   6.4630  762.567   27.421  786.571   33.836  716.632   46.806  340.374   7.3356  324.530   10.643 15.84418 12.92608 
1 1 1   -5   14    2 o  191.282   5.7759  252.514   13.971  260.084   17.083  237.228   24.277  195.769   6.4393  186.794   9.5905 8.975143 11.55173 
1 1 1   -5   14    3 o  183.124   5.6642  226.450   13.177  224.034   16.010  231.522   23.200  181.693   6.5025  184.554   9.2764 -2.861160 11.32849 
1 1 1   -5   14    4 o  333.426   6.3839  748.921   27.025  736.867   32.776  774.515   47.762  329.444   7.3417  337.408   10.446 -7.963989 12.76772 
1 1 1   -5   14    5 o  337.261   6.4227  766.708   27.504  755.115   33.367  791.280   48.578  333.493   7.3833  341.029   10.511 -7.536041 12.84542 
1 1 1   -5   14    6 o  262.182   4.9283  467.043   17.489  477.577   24.322  455.764   25.167  265.260   6.7661  259.104   7.1675 6.155914 9.856632 
1 1 1   -5   14    7 o  198.742   4.7523  268.511   12.776  277.385   17.737  258.944   18.418  202.172   6.4742  195.312   6.9587 6.860016 9.504662 
1 1 1   -5   14    8 o  274.031   4.9666  509.536   18.427  504.654   25.468  514.899   26.693  272.664   6.8927  275.399   7.1524 -2.734802 9.933105 
1 1 1   -5   14    9 o  239.005   4.8447  386.641   15.667  367.506   21.448  408.534   22.941  232.686   6.8019  245.324   6.9006 -12.63853 9.689396 
1 1 1   -5   14   10 o  232.290   6.0609  373.877   18.007  343.994   30.418  389.999   22.342  224.885   9.9813  239.694   6.8784 -14.80864 12.12178 
1 1 1   -5   14   11 o  301.488   6.3384  613.959   24.394  629.289   42.566  606.462   29.767  304.118   10.328  298.858   7.3501 5.259247 12.67677 
1 1 1   -5   14   12 o  285.642   5.0844  553.852   19.666  550.958   27.258  556.994   28.402  284.874   7.0607  286.409   7.3177 -1.535248 10.16870 
1 1 1   -5   14   13 o  329.574   6.0773  745.247   23.611  752.714   27.401  723.715   46.531  333.056   6.0711  326.093   10.530 6.963074 12.15454 
1 1 1   -5   14   14 o  240.219   5.5065  391.907   15.577  391.853   18.019  392.064   30.983  240.333   5.5328  240.104   9.5223 0.2291718 11.01303 
1 1 1   -5   14   15 o  237.839   5.4501  380.841   15.311  377.372   17.701  391.149   30.513  235.848   5.5382  239.829   9.3885 -3.981339 10.90027 
1 1 1   -5   14   16 o  154.030   5.5401  164.673   10.062  168.467   11.718  154.027   19.629  157.581   5.4875  150.479   9.6259 7.102432 11.08015 
1 1 1   -5   14   17 o  169.848   5.2926  189.657   10.689  183.229   12.332  209.084   21.438  164.337   5.5374  175.359   9.0212 -11.02165 10.58513 
1 1 1   -5   14   18 o  282.396   6.1625  552.379   22.575  580.820   28.530  504.748   36.921  292.451   7.1988  272.341   10.004 20.11011 12.32494 
1 1 1   -5   14   19 o  260.085   5.6687  456.143   17.221  452.773   19.806  466.586   34.863  258.318   5.6578  261.853   9.8248 -3.534943 11.33745 
1 1 1   -5   14   20 o  187.499   5.4660  238.528   13.888  238.528   13.888   0.0000   0.0000  187.499   5.4660  ?   ?       ?      ? 
1 1 1   -5   14   21 o  199.756   6.7049  270.931   18.150  270.931   18.150   0.0000   0.0000  199.756   6.7049  ?   ?       ?      ? 
1 1 1   -5   14   22 o  236.216   5.8315  381.878   17.631  387.337   21.716  371.322   30.198  238.838   6.7095  233.594   9.5397 5.244675 11.66293 
1 1 1   -5   14   23 o  154.461   5.8328  163.921   11.570  167.811   14.338  156.659   19.590  157.201   6.7306  151.720   9.5282 5.481094 11.66563 
1 1 1   -5   14   24 o  211.267   5.7524  304.846   15.612  307.971   19.284  298.902   26.598  212.959   6.6820  209.575   9.3655 3.383408 11.50486 
1 1 1   -5   14   25 o  226.388   5.7362  335.623   16.617  311.935   20.087  386.985   29.579  214.302   6.9168  238.475   9.1528 -24.17336 11.47238 
1 1 1   -5   14   26 o  321.769   6.3435  699.754   26.132  690.249   31.974  718.878   45.353  318.716   7.4030  324.822   10.303 -6.106506 12.68707 
1 1 1   -5   14   27 o  261.747   6.0415  474.061   20.371  493.668   25.459  439.161   33.965  269.572   6.9691  253.922   9.8708 15.64967 12.08307 
1 1 1   -5   14   28 o  275.169   6.0904  520.742   21.602  534.032   26.892  496.566   36.269  280.354   7.0782  269.983   9.9132 10.37128 12.18088 
1 1 1   -5   14   29 o  222.563   5.4927  337.386   14.607  338.075   17.040  335.477   28.365  223.172   5.6343  221.954   9.4305 1.218246 10.98543 
1 1 1   -5   14   30 o  219.763   5.9116  333.662   16.958  349.198   21.574  308.544   27.433  226.692   7.0229  212.833   9.5114 13.85820 11.82315 
1 1 1   -5   14   31 o  227.365   5.5279  359.150   15.048  368.285   17.684  335.175   28.649  232.920   5.6026  221.809   9.5312 11.11079 11.05589 
1 1 1   -5   14   32 f  121.410   5.8758  100.805   8.6783  101.458   10.245   99.147   16.329  122.224   6.1854  120.596   9.9921 1.628014 11.75166 
1 1 1   -5   14   33 o  166.275   6.0249  190.240   13.138  196.866   16.767  179.703   21.144  170.170   7.2709  162.381   9.6089 7.789032 12.04972 
1 1 1   -5   14   34 o  237.314   6.0220  384.829   18.611  388.682   23.362  378.135   30.792  239.104   7.2099  235.524   9.6475 3.580154 12.04399 
1 1 1   -5   14   35 o  206.861   5.3478  281.717   13.373  271.071   15.561  311.777   26.149  199.795   5.7475  213.927   9.0202 -14.13142 10.69567 
1 1 1   -5   14   36 o   91.395   6.3851   48.599   7.3058   33.283   8.6458   86.847   13.662   69.886   9.1292  112.905   8.9296 -43.01873 12.77027 
1 1 1   -5   14   37 o  109.483   6.0992   82.248   8.3270   83.214   10.017   80.086   14.982  110.646   6.6804  108.319   10.206 2.326736 12.19837 
1 1 1   -5   14   38 o  164.926   5.4794  183.760   11.035  182.019   13.006  188.234   20.847  163.696   5.8632  166.157   9.2584 -2.460876 10.95883 
1 1 1   -5   14   39 o   85.475   7.5001   49.936   8.4613   49.986   10.811   49.855   13.594   85.613   9.3183   85.337   11.755 0.2756195 15.00022 
1 1 1   -5   14   40 o  256.598   5.9971  433.572   19.621  406.673   23.670  492.659   35.081  244.508   7.1437  268.688   9.6348 -24.17958 11.99426 
1 1 1   -5   14   41 o  127.850   6.4480  108.100   10.717  100.281   13.189  123.295   18.386  121.347   8.0202  134.353   10.099 -13.00632 12.89608 
1 1 1   -5   14   42 o  165.788   5.0146  186.800   11.250  190.530   16.417  183.497   15.447  167.332   7.2399  164.243   6.9403 3.089142 10.02910 
1 1 1   -5   14   43 o  134.929   5.2756  124.330   9.6020  119.064   14.092  128.895   13.119  132.218   7.8648  137.639   7.0336 -5.421631 10.55118 
1 1 1   -5   14   44 o  134.641   5.2709  124.286   9.5475  113.090   13.934  134.193   13.108  128.839   7.9810  140.443   6.8874 -11.60463 10.54190 
1 1 1   -5   14   45 o  176.652   7.4663  212.492   17.873  212.492   17.873   0.0000   0.0000  176.652   7.4663  ?   ?       ?      ? 
1 1 1   -5   14   46 o  173.025   7.1614  204.318   16.759  211.764   24.631  197.900   22.868  175.920   10.332  170.129   9.9192 5.790894 14.32271 
1 1 1   -5   14   47 f  186.881   9.7000  238.785   24.565   0.0000   0.0000  238.785   24.565  ?   ?   186.881   9.7000      ?      ? 
1 1 1   -5   14   48 o  169.566   5.0017  195.853   11.463  195.115   16.813  196.493   15.670  169.236   7.3310  169.896   6.8060 -0.6602020 10.00331 
1 1 1   -5   14   49 o   87.349   7.5034   51.543   8.8135   45.898   11.630   59.158   13.508   81.826   10.489   92.871   10.733 -11.04510 15.00676 
1 1 1   -5   14   50 o  124.662   6.5920  109.427   10.771  122.851   14.154   90.957   16.602  134.195   7.7831  115.129   10.641 19.06545 13.18396 
1 1 1   -5   14   51 o  124.281   7.7741  107.128   12.889  100.030   19.660  112.479   17.070  120.460   12.044  128.102   9.8333 -7.642128 15.54810 
1 1 1   -5   14   52 o  128.535   6.8492  113.695   10.775  112.326   20.071  114.249   12.772  127.657   11.602  129.413   7.2826 -1.756073 13.69850 
1 1 1   -5   14   53 o  109.008   5.9026   80.079   8.6483   91.252   13.304   71.904   11.381  115.475   8.5021  102.541   8.1902 12.93390 11.80527 
1 1 1   -5   14   54 o  115.160   5.8445   92.665   8.9225   78.024   13.360  104.453   11.988  106.631   9.2457  123.689   7.1520 -17.05853 11.68906 
1 1 1   -5   14   55 o  115.620   5.7967   93.030   8.9253   80.787   13.330  102.977   12.016  108.476   9.0684  122.765   7.2228 -14.28902 11.59333 
1 1 1   -5   14   56 o  121.319   5.5925  101.143   9.1246   97.925   13.648  103.744   12.270  119.479   8.4291  123.159   7.3521 -3.679756 11.18495 
1 1 1   -5   14   57 o   73.470   9.5989   41.170   8.9567   52.649   11.893   26.130   13.613   87.317   10.051   59.623   16.356 27.69458 19.19779 
1 1 1   -5   14   58 o   93.522   9.2822   61.970   11.564   57.487   17.658   65.337   15.301   90.192   14.447   96.852   11.658 -6.659988 18.56437 
1 1 1   -5   14   59 o   74.270   9.0043   34.000   8.0716   52.383   16.256   27.985   9.2989   86.075   13.936   62.465   11.406 23.60995 18.00864 
1 1 1   -5   14   60 o   58.643   8.9972   24.603   6.8535   28.039   10.802   22.288   8.8664   61.929   13.271   55.357   12.152 6.572002 17.99443 
1 1 1   -5   14   61 o  106.768   5.8542   78.496   8.3761   79.655   12.874   77.646   11.030  107.313   8.8530  106.223   7.6623 1.090172 11.70842 
1 1 1   -5   14   62 o  105.226   5.9627   77.271   8.3864   71.545   12.663   81.746   11.193  101.518   9.2045  108.934   7.5824 -7.416634 11.92537 
1 1 1   -5   14   63 o  105.900   5.9034   78.190   8.3916   73.006   12.496   82.447   11.325  102.497   8.9966  109.303   7.6461 -6.805519 11.80678 
1 1 1   -5   14   64 o   60.478   10.908   26.255   8.8898   36.592   14.406   19.898   11.297   69.411   15.685   51.546   15.162 17.86437 21.81518 
1 1 1   -5   14   65 o   67.566   7.7434   32.992   6.8207   30.979   10.340   34.543   9.0751   64.921   12.201   70.212   9.5380 -5.290733 15.48675 
1 1 1   -5   14   66 o   61.270   9.8206   28.505   7.4771   26.137   14.021   29.447   8.8389   57.948   16.847   64.593   10.098 -6.644661 19.64128 
1 1 1   -5   14   67 o   22.055   7.5745 -11.4500   6.0251 -15.5118   12.001 -10.0813   6.9666   25.174   12.092   18.936   9.1255 6.237503 15.14905 
1 1 1   -5   14   68 f   50.673   10.078   20.967   7.2394   12.812   13.422   24.312   8.5972   44.107   16.566   57.240   11.483 -13.13220 20.15692 
1 1 1   -5   14   69 o   78.642   8.7602   47.566   8.0798   41.271   14.640   50.323   9.6891   72.667   15.348   84.618   8.4496 -11.95090 17.52044 
1 1 1   -5   14   70 o   43.017   10.357   11.965   6.8085   19.542   12.412   8.7028   8.1431   49.922   16.113   36.113   13.015 13.80868 20.71333 
1 1 1   -5   14   71 o   48.143   16.346   18.044   12.728   18.044   12.728   0.0000   0.0000   48.143   16.346  ?   ?       ?      ? 
1 1 1   -5   14   72 o   73.068   15.205   42.512   14.565   42.512   14.565   0.0000   0.0000   73.068   15.205  ?   ?       ?      ? 
1 1 1   -5   14   73 o   56.549   11.646   25.830   9.7617   17.586   13.243   35.640   14.446   47.326   16.646   65.771   16.292 -18.44447 23.29228 
1 1 1   -5   14   74 o   46.798   11.939   16.620   9.7682   12.220   13.200   21.947   14.524   42.201   16.288   51.395   17.460 -9.193329 23.87815 
1 1 1   -5   14   75 o   38.413   11.006   8.0395   9.0582   11.514   12.204   3.7779   13.517   40.892   15.694   35.934   15.435 4.957157 22.01192 
1 1 1   -5   14   76 o   46.292   11.502   17.021   9.5009   23.580   12.571   8.2827   14.510   52.989   16.091   39.595   16.440 13.39373 23.00410 
1 1 1   -5   14   77 o   67.217   17.290   39.250   15.839   0.0000   0.0000   39.250   15.839  ?   ?    67.217   17.290      ?      ? 
1 1 1   -5   14   78 o   79.353   15.333   52.069   15.891   0.0000   0.0000   52.069   15.891  ?   ?    79.353   15.333      ?      ? 
1 1 1   -5   14   79 o   31.426   9.7067  -0.3320   8.3111   7.2617   11.169  -9.7539   12.441   35.809   14.598   27.043   12.798 8.765970 19.41345 
1 1 1   -5   14   80 o   34.452   10.272   4.5619   8.5632   10.151   11.304  -2.9660   13.119   38.129   14.972   30.776   14.068 7.352575 20.54463 
1 1 1   -5   14   81 o   32.331   9.9627   0.9114   8.7129   8.7763   11.721  -8.8037   13.026   36.871   14.984   27.790   13.134 9.080872 19.92536 
1 1 1   -5   14   82 f   35.123   10.409   3.3449   8.9465  -7.0201   12.102   15.836   13.285   27.278   12.820   42.967   16.402 -15.68896 20.81762 
1 1 1   -5   14   83 o   44.147   11.776   17.330   9.6032   13.454   12.789   22.342   14.542   40.333   15.897   47.960   17.376 -7.626247 23.55120 
1 1 1   -5   14   84 o   35.823   10.701   7.8632   9.1951   12.691   12.352   1.8628   13.771   39.057   15.551   32.589   14.704 6.467960 21.40212 
1 1 1   -5   14   85 f   30.867   9.9214   0.8643   9.0079   0.5940   12.047   1.2070   13.566   30.094   13.650   31.640   14.402 -1.546345 19.84278 
1 1 1   -5   14   86 o   40.725   16.070   16.279   13.083   16.279   13.083   0.0000   0.0000   40.725   16.070  ?   ?       ?      ? 
1 1 1   -5   15    1 o  181.259   4.8240  223.645   11.806  230.227   16.164  216.120   17.283  184.144   6.4776  178.374   7.1501 5.770279 9.647995 
1 1 1   -5   15    2 o   90.115   7.4789   55.016   8.8539   56.565   14.505   54.097   11.178   91.063   11.754   89.167   9.2507 1.895660 14.95786 
1 1 1   -5   15    3 o  100.460   7.1125   68.835   9.2703   68.311   15.508   69.127   11.564  100.090   11.433  100.830   8.4631 -0.7399216 14.22490 
1 1 1   -5   15    4 o  180.454   6.0446  224.879   14.059  209.859   23.465  233.289   17.560  175.574   9.8625  185.333   6.9916 -9.759476 12.08927 
1 1 1   -5   15    5 o  330.155   6.5287  736.490   27.661  757.627   47.792  725.843   33.919  333.478   10.576  326.831   7.6585 6.647278 13.05746 
1 1 1   -5   15    6 o  256.173   4.9332  446.284   17.104  463.922   23.930  427.865   24.454  261.373   6.7562  250.973   7.1902 10.39999 9.866431 
1 1 1   -5   15    7 o  111.956   5.3952   85.892   8.1050   91.869   10.976   78.725   12.019  116.303   6.9642  107.610   8.2422 8.692726 10.79043 
1 1 1   -5   15    8 o   94.430   5.7712   59.608   7.3185   50.440   9.6991   71.729   11.152   86.133   8.3096  102.726   8.0111 -16.59263 11.54238 
1 1 1   -5   15    9 o  117.751   5.2113   94.065   8.2619   93.032   11.045   95.376   12.449  117.035   6.9641  118.466   7.7545 -1.430885 10.42264 
1 1 1   -5   15   10 o  184.959   4.8155  231.496   12.035  221.902   16.296  243.009   17.851  180.768   6.6525  189.150   6.9644 -8.381927 9.631090 
1 1 1   -5   15   11 o  193.325   4.8290  254.677   12.605  267.237   17.392  240.778   18.295  198.386   6.4692  188.264   7.1712 10.12253 9.657997 
1 1 1   -5   15   12 o  289.573   5.1092  568.031   20.004  546.438   27.216  593.406   29.503  283.620   7.0811  295.526   7.3671 -11.90646 10.21842 
1 1 1   -5   15   13 o  265.494   5.7275  481.599   17.814  483.988   20.582  474.465   35.565  267.041   5.6875  263.947   9.9433 3.094177 11.45497 
1 1 1   -5   15   14 o  206.094   5.4940  288.252   15.344  288.252   15.344   0.0000   0.0000  206.094   5.4940  ?   ?       ?      ? 
1 1 1   -5   15   15 o  248.172   5.6149  418.009   18.883  418.009   18.883   0.0000   0.0000  248.172   5.6149  ?   ?       ?      ? 
1 1 1   -5   15   16 o  357.297   7.8327  867.851   37.925  867.851   37.925   0.0000   0.0000  357.297   7.8327  ?   ?       ?      ? 
1 1 1   -5   15   17 o  198.630   5.5447  275.574   12.991  283.676   15.160  253.183   25.202  204.447   5.4718  192.814   9.6454 11.63229 11.08934 
1 1 1   -5   15   18 o  103.275   6.4541   75.241   7.8179   78.119   9.1209   67.273   15.178  107.257   6.2752   99.292   11.280 7.965012 12.90821 
1 1 1   -5   15   19 o  167.979   5.5733  198.388   11.061  205.794   12.948  178.389   21.277  174.129   5.4873  161.829   9.7024 12.30017 11.14657 
1 1 1   -5   15   20 o  261.763   6.0949  472.456   20.669  488.634   25.947  444.364   34.191  268.152   7.1403  255.375   9.8797 12.77644 12.18987 
1 1 1   -5   15   21 o  242.325   5.9170  402.913   18.348  410.145   22.617  388.993   31.378  245.701   6.7927  238.949   9.6903 6.752258 11.83400 
1 1 1   -5   15   22 o  150.286   5.5464  151.002   9.9485  148.205   11.541  159.091   19.628  147.749   5.7641  152.822   9.4777 -5.072983 11.09283 
1 1 1   -5   15   23 f  143.255   5.7090  143.220   9.6708  147.263   11.297  132.130   18.709  147.281   5.6602  139.230   9.9162 8.051743 11.41795 
1 1 1   -5   15   24 o  193.626   5.5859  262.147   12.815  270.274   14.997  240.160   24.670  199.532   5.5465  187.720   9.6977 11.81123 11.17184 
1 1 1   -5   15   25 o  196.092   5.5139  260.563   12.801  259.536   14.837  263.554   25.319  195.520   5.5996  196.663   9.5003 -1.142258 11.02772 
1 1 1   -5   15   26 o  109.333   6.0237   75.714   8.1093   68.734   9.4570   95.103   15.761  100.562   6.9396  118.104   9.8479 -17.54228 12.04741 
1 1 1   -5   15   27 o  171.914   5.4363  196.098   11.167  190.814   12.938  211.535   22.114  167.635   5.6952  176.193   9.2617 -8.558533 10.87265 
1 1 1   -5   15   28 o  145.787   5.6753  147.122   9.9001  150.069   11.614  139.288   18.937  148.656   5.7650  142.917   9.7776 5.738922 11.35067 
1 1 1   -5   15   29 o   90.084   7.4606   54.874   8.9213   52.876   11.421   58.003   14.289   88.061   9.5705   92.108   11.448 -4.046410 14.92122 
1 1 1   -5   15   30 o   67.649   9.2196   32.340   8.1308   34.083   10.644   29.899   12.599   70.616   11.123   64.682   14.707 5.934212 18.43914 
1 1 1   -5   15   31 o  141.501   5.6807  132.322   9.8146  127.427   11.496  145.483   18.851  136.947   6.1943  146.054   9.5243 -9.106186 11.36142 
1 1 1   -5   15   32 o  132.960   6.2905  130.701   9.7502  143.168   11.545   99.686   18.209  145.176   5.8682  120.744   11.129 24.43207 12.58100 
1 1 1   -5   15   33 o   71.196   7.8006   32.362   6.9712   29.001   8.2378   40.841   13.084   65.209   9.3222   77.183   12.510 -11.97331 15.60123 
1 1 1   -5   15   34 o   88.793   6.7261   49.703   7.4968   43.771   8.8418   64.872   14.140   80.170   8.1386   97.417   10.711 -17.24769 13.45222 
1 1 1   -5   15   35 o  167.659   5.5792  186.544   11.351  180.782   13.260  202.342   21.956  163.111   5.9990  172.207   9.4087 -9.095490 11.15848 
1 1 1   -5   15   36 o   39.692   10.359   7.4290   6.9968   4.8686   8.4700   12.930   12.415   33.508   13.016   45.875   16.119 -12.36681 20.71766 
1 1 1   -5   15   37 o   87.173   8.4511   51.794   9.9834   51.794   9.9834   0.0000   0.0000   87.173   8.4511  ?   ?       ?      ? 
1 1 1   -5   15   38 o  179.326   6.1886  218.108   14.538  214.697   18.281  223.977   23.977  177.572   7.5971  181.080   9.7713 -3.508148 12.37715 
1 1 1   -5   15   39 o  142.184   5.7467  136.913   10.183  135.604   12.177  139.956   18.567  141.219   6.3632  143.149   9.5711 -1.930115 11.49335 
1 1 1   -5   15   40 o  192.022   5.5843  250.023   13.105  248.438   15.467  254.054   24.669  191.178   5.9703  192.865   9.4389 -1.687637 11.16859 
1 1 1   -5   15   41 o  115.295   6.3429   92.800   9.1163   96.284   11.043   85.347   16.153  118.948   6.8511  111.642   10.677 7.305321 12.68575 
1 1 1   -5   15   42 o   44.069   9.7133   13.598   6.7858   18.265   8.5280   5.5448   11.203   50.555   12.515   37.583   14.858 12.97211 19.42668 
1 1 1   -5   15   43 o   44.834   10.049   12.453   6.7655   8.6520   8.4885   19.073   11.202   37.763   13.322   51.905   15.049 -14.14198 20.09898 
1 1 1   -5   15   44 o  144.195   6.0850  136.179   11.506  120.685   14.265  165.030   19.466  133.022   7.9137  155.367   9.2456 -22.34579 12.16995 
1 1 1   -5   15   45 o  151.892   6.0962  157.554   12.108  157.397   15.241  157.822   19.934  151.953   7.4018  151.832   9.6885 0.1210785 12.19237 
1 1 1   -5   15   46 o   40.904   10.198   9.9378   7.3392   14.495   9.7061   3.8536   11.215   45.752   14.184   36.056   14.655 9.696163 20.39550 
1 1 1   -5   15   47 o   81.648   6.7912   46.482   7.3512   41.002   11.216   50.609   9.7330   77.242   10.716   86.054   8.3463 -8.811783 13.58247 
1 1 1   -5   15   48 o   54.300   10.753   18.444   7.3643   28.095   14.936   15.344   8.4647   62.201   17.161   46.399   12.962 15.80199 21.50632 
1 1 1   -5   15   49 o   86.036   7.8711   46.968   8.3132   60.910   16.315   42.079   9.6615   93.724   12.846   78.347   9.0999 15.37659 15.74219 
1 1 1   -5   15   50 f  105.145   5.8600   75.740   8.2646   75.339   12.598   76.043   10.950  104.822   8.8692  105.469   7.6614 -0.6469116 11.72007 
1 1 1   -5   15   51 o   63.286   10.069   26.635   7.6628   35.044   15.009   23.671   8.9119   69.123   16.290   57.450   11.841 11.67348 20.13865 
1 1 1   -5   15   52 o   90.837   8.9997   56.068   10.913   71.691   16.880   44.850   14.304  101.527   12.269   80.146   13.170 21.38158 17.99934 
1 1 1   -5   15   53 f   84.730   8.4862   48.099   8.9942   30.042   11.517   76.335   14.401   64.333   13.634  105.128   10.109 -40.79490 16.97233 
1 1 1   -5   15   54 o   44.963   11.383   12.553   9.0470   6.1183   14.177   16.974   11.751   40.850   16.522   49.077   15.662 -8.227161 22.76538 
1 1 1   -5   15   55 o   56.557   11.460   24.049   9.5181   16.064   14.711   29.800   12.483   49.500   17.530   63.614   14.765 -14.11408 22.91980 
1 1 1   -5   15   56 o  119.939   7.0986  104.034   10.210   90.305   18.915  109.679   12.129  113.406   12.308  126.472   7.0769 -13.06628 14.19730 
1 1 1   -5   15   57 o  119.134   5.5136   98.035   8.8212   94.850   13.273  100.555   11.806  117.258   8.3529  121.010   7.1993 -3.751595 11.02727 
1 1 1   -5   15   58 o   78.954   6.9639   44.492   7.2258   37.536   11.094   49.618   9.5226   73.151   11.191   84.758   8.2908 -11.60705 13.92788 
1 1 1   -5   15   59 o  112.273   6.6756   84.746   9.9788   71.136   12.770  106.088   15.991  101.130   9.3183  123.415   9.5616 -22.28561 13.35119 
1 1 1   -5   15   60 o   88.427   7.8881   53.214   8.4662   59.695   16.419   50.867   9.8812   91.232   13.280   85.621   8.5162 5.611458 15.77626 
1 1 1   -5   15   61 o   60.629   8.4708   26.489   6.6191   29.926   10.464   24.197   8.5459   63.713   12.566   57.545   11.362 6.168293 16.94152 
1 1 1   -5   15   62 o   49.687   9.3818   17.662   6.3613   23.337   10.237   14.093   8.1193   55.659   13.671   43.714   12.852 11.94460 18.76368 
1 1 1   -5   15   63 o   62.925   10.002   28.673   7.5721   33.117   14.706   27.069   8.8329   65.029   16.624   60.820   11.127 4.209282 20.00445 
1 1 1   -5   15   64 o   64.746   9.3784   25.585   7.5813   48.997   14.753   17.182   8.8376   81.796   13.309   47.696   13.217 34.10017 18.75670 
1 1 1   -5   15   65 o   62.971   9.7603   34.775   7.8312   17.522   14.463   41.932   9.3150   48.770   17.370   77.172   8.9071 -28.40217 19.52061 
1 1 1   -5   15   66 o   64.856   9.8420   33.099   7.7243   29.066   14.673   34.645   9.0852   59.895   17.183   69.816   9.6027 -9.921772 19.68392 
1 1 1   -5   15   67 o   35.679   10.033   6.6591   6.7715   5.6526   12.830   7.0478   7.9724   37.357   15.480   34.002   12.768 3.355309 20.06662 
1 1 1   -5   15   68 o   31.840   10.051  -2.4950   8.8813  -6.0853   12.229   1.5122   12.920   29.247   13.448   34.433   14.940 -5.185474 20.10113 
1 1 1   -5   15   69 o   58.418   16.866   28.283   14.097   28.283   14.097   0.0000   0.0000   58.418   16.866  ?   ?       ?      ? 
1 1 1   -5   15   70 o   91.804   9.7800   64.122   11.680   50.341   15.731   81.057   17.438   79.446   15.165  104.162   12.354 -24.71632 19.55991 
1 1 1   -5   15   71 o   58.434   11.231   27.163   9.8386   13.987   13.294   43.118   14.629   43.784   16.479   73.084   15.264 -29.30012 22.46186 
1 1 1   -5   15   72 o   50.062   11.398   20.265   9.4766   29.479   13.080   10.084   13.749   59.519   15.911   40.605   16.324 18.91421 22.79530 
1 1 1   -5   15   73 o   43.241   11.424   13.692   9.0814   10.127   12.539   17.626   13.171   39.731   15.715   46.751   16.584 -7.020451 22.84732 
1 1 1   -5   15   74 o   27.494   9.0393  -6.7084   8.0423  -8.0822   10.659  -4.8928   12.254   25.659   12.050   29.329   13.477 -3.670664 18.07851 
1 1 1   -5   15   75 o   35.187   15.103   4.1350   12.926   0.0000   0.0000   4.1350   12.926  ?   ?    35.187   15.103      ?      ? 
1 1 1   -5   15   76 o   40.400   16.251   11.005   13.636   0.0000   0.0000   11.005   13.636  ?   ?    40.400   16.251      ?      ? 
1 1 1   -5   15   77 o   65.135   11.683   36.782   10.234   32.938   13.412   42.139   15.834   61.515   15.954   68.755   17.072 -7.240410 23.36650 
1 1 1   -5   15   78 o   59.585   12.212   32.546   10.342   31.283   13.563   34.301   15.985   59.058   16.376   60.112   18.121 -1.054195 24.42374 
1 1 1   -5   15   79 o   41.606   11.327   14.007   9.2556   18.264   12.513   8.8643   13.753   45.380   16.157   37.831   15.879 7.548981 22.65404 
1 1 1   -5   15   80 o   38.951   10.893   8.2203   9.2438  -2.8713   12.307   22.578   14.002   29.306   13.481   48.596   17.114 -19.28982 21.78603 
1 1 1   -5   15   81 o   38.237   11.080   10.960   9.1413   8.4971   12.373   13.920   13.565   35.970   15.077   40.504   16.239 -4.533920 22.15900 
1 1 1   -5   15   82 o   36.943   10.890   9.9682   9.0145   7.4456   12.070   13.150   13.556   34.585   14.713   39.302   16.059 -4.717335 21.77962 
1 1 1   -5   15   83 o   45.587   11.642   20.475   9.6118   12.334   13.081   30.031   14.171   37.948   15.670   53.226   17.221 -15.27764 23.28395 
1 1 1   -5   15   84 o   49.340   12.105   26.718   9.9743   21.837   13.632   32.342   14.633   44.831   16.723   53.848   17.506 -9.017113 24.21027 
1 1 1   -5   16    1 o   59.851   8.2710   24.225   6.5271   17.250   8.5776   33.819   10.060   49.294   12.746   70.408   10.544 -21.11430 16.54206 
1 1 1   -5   16    2 o   78.543   6.6751   42.882   6.9342   47.100   9.1667   37.240   10.602   83.205   8.1298   73.881   10.589 9.324554 13.35020 
1 1 1   -5   16    3 o   76.110   6.8127   39.515   6.9690   39.801   9.2999   39.148   10.525   76.453   8.9764   75.766   10.251 0.6865921 13.62541 
1 1 1   -5   16    4 o   58.945   8.4699   25.890   6.5952   35.403   8.8969   14.285   9.8262   72.100   9.1058   45.791   14.284 26.30984 16.93983 
1 1 1   -5   16    5 o  188.460   4.9372  239.445   12.558  217.956   16.892  265.994   18.776  179.085   6.9607  197.835   7.0037 -18.75002 9.874370 
1 1 1   -5   16    6 o  295.649   5.1710  594.813   20.696  618.002   29.041  570.885   29.501  301.537   7.1071  289.761   7.5129 11.77554 10.34194 
1 1 1   -5   16    7 o  225.273   6.2825  343.924   17.386  341.725   20.591  349.382   32.449  224.255   6.7757  226.291   10.582 -2.035294 12.56501 
1 1 1   -5   16    8 o  239.598   6.2145  371.049   18.183  347.511   21.188  436.821   35.419  226.131   6.9144  253.066   10.328 -26.93440 12.42899 
1 1 1   -5   16    9 o  180.348   6.4768  222.245   14.080  223.092   16.517  219.994   26.927  181.196   6.7268  179.500   11.070 1.696320 12.95353 
1 1 1   -5   16   10 o  222.171   4.9392  335.639   14.838  337.997   20.359  332.968   21.669  223.027   6.7363  221.314   7.2252 1.713165 9.878353 
1 1 1   -5   16   11 o  222.222   4.8964  335.865   14.718  339.902   20.279  331.371   21.395  223.657   6.6908  220.788   7.1507 2.869141 9.792789 
1 1 1   -5   16   12 o  157.106   5.0003  167.846   10.608  168.643   14.431  166.910   15.647  157.533   6.7601  156.678   7.3696 0.8549500 10.00052 
1 1 1   -5   16   13 o  164.270   5.6000  181.161   10.718  178.887   12.297  188.346   21.860  162.321   5.5905  166.219   9.7050 -3.898575 11.20000 
1 1 1   -5   16   14 o  143.104   5.7623  138.016   9.5862  136.761   10.997  141.990   19.565  141.919   5.7179  144.289   10.006 -2.370148 11.52460 
1 1 1   -5   16   15 o  131.641   5.7906  115.770   8.9819  113.615   10.349  122.354   18.084  129.342   5.9042  133.940   9.9631 -4.597870 11.58115 
1 1 1   -5   16   16 o  132.523   5.8451  118.370   9.1605  117.160   10.595  121.951   18.229  131.340   5.9530  133.706   10.061 -2.365448 11.69017 
1 1 1   -5   16   17 o  132.615   5.7627  113.090   9.0737  106.609   10.411  133.571   18.508  125.276   6.1323  139.954   9.7587 -14.67733 11.52549 
1 1 1   -5   16   18 o  200.268   5.5665  270.618   13.067  268.371   15.053  277.492   26.324  198.805   5.5874  201.731   9.6295 -2.926285 11.13310 
1 1 1   -5   16   19 o  147.959   5.8284  153.140   10.120  157.533   11.777  140.745   19.781  152.307   5.7062  143.610   10.165 8.696320 11.65673 
1 1 1   -5   16   20 o  106.886   6.6900   81.900   8.2737   86.076   9.6271   70.101   16.182  112.553   6.3118  101.220   11.798 11.33308 13.37996 
1 1 1   -5   16   21 o  152.956   5.7406  159.842   10.301  160.423   11.906  158.114   20.539  153.691   5.7168  152.221   9.9568 1.470551 11.48129 
1 1 1   -5   16   22 o  132.392   5.7634  113.857   9.1466  108.075   10.564  131.177   18.282  126.120   6.1808  138.664   9.7295 -12.54369 11.52671 
1 1 1   -5   16   23 o  199.407   5.5769  270.187   13.195  269.681   15.320  271.641   25.968  199.266   5.6735  199.549   9.6031 -0.2825775 11.15381 
1 1 1   -5   16   24 o  182.293   5.6070  227.071   12.356  228.116   14.522  224.334   23.513  183.250   5.8479  181.337   9.5684 1.913895 11.21393 
1 1 1   -5   16   25 o  141.879   6.3726  137.175   11.810  137.006   14.843  137.467   19.497  141.876   7.7204  141.882   10.141 -0.5493164E-02 12.74512 
1 1 1   -5   16   26 o  139.410   6.3623  130.408   11.687  123.993   14.725  141.325   19.210  134.938   8.0529  143.882   9.8522 -8.943878 12.72460 
1 1 1   -5   16   27 o  263.607   5.8340  475.229   18.281  477.284   21.280  469.444   35.711  265.040   5.9250  262.174   10.052 2.865692 11.66791 
1 1 1   -5   16   28 o  192.952   5.7137  249.476   13.160  245.030   15.271  262.305   25.939  189.898   5.9343  196.006   9.7657 -6.108292 11.42737 
1 1 1   -5   16   29 f  208.905   5.9059  308.778   14.709  322.747   17.344  272.997   27.758  217.943   5.8725  199.868   10.249 18.07487 11.81185 
1 1 1   -5   16   30 f  325.474   6.1210  685.795   23.277  652.956   26.540  795.260   48.455  309.915   6.3194  341.032   10.485 -31.11685 12.24206 
1 1 1   -5   16   31 o  143.121   6.5009  141.220   12.216  145.973   15.617  133.726   19.610  146.392   7.8722  139.850   10.348 6.542282 13.00171 
1 1 1   -5   16   32 o   90.757   7.7371   56.100   9.5157   56.100   9.5157   0.0000   0.0000   90.757   7.7371  ?   ?       ?      ? 
1 1 1   -5   16   33 o  171.899   5.9200  200.841   13.790  200.841   13.790   0.0000   0.0000  171.899   5.9200  ?   ?       ?      ? 
1 1 1   -5   16   34 o  104.126   6.8785   71.372   8.6622   68.266   10.073   80.188   16.970  100.123   7.4243  108.127   11.582 -8.003998 13.75698 
1 1 1   -5   16   35 o  161.457   5.8198  176.704   11.321  175.467   13.243  180.063   21.821  160.645   6.0832  162.269   9.9235 -1.623535 11.63964 
1 1 1   -5   16   36 o  197.753   5.6957  263.301   13.596  259.376   15.891  274.022   26.263  195.312   6.0041  200.193   9.6807 -4.880905 11.39145 
1 1 1   -5   16   37 o  175.611   5.7430  207.511   12.283  203.970   14.428  216.832   23.409  173.174   6.1483  178.049   9.7018 -4.875092 11.48595 
1 1 1   -5   16   38 o  157.227   6.1050  166.650   12.455  161.567   15.415  176.211   21.141  153.980   7.3874  160.474   9.7217 -6.493927 12.21002 
1 1 1   -5   16   39 o  123.394   6.4211  100.166   10.408   89.294   12.944  120.051   17.506  114.364   8.3523  132.423   9.7551 -18.05974 12.84220 
1 1 1   -5   16   40 o  141.291   6.2177  134.104   11.539  127.386   14.465  145.860   19.135  136.640   7.8119  145.943   9.6755 -9.303513 12.43543 
1 1 1   -5   16   41 o  120.929   6.1899   97.304   9.5072   92.602   11.458  107.699   17.035  116.538   7.2551  125.321   10.031 -8.783539 12.37971 
1 1 1   -5   16   42 o   99.315   6.6958   66.841   8.4799   65.414   10.319   69.808   14.882   97.882   7.7796  100.747   10.900 -2.865639 13.39162 
1 1 1   -5   16   43 o   98.492   7.0432   69.076   8.6811   73.795   10.651   59.740   14.982  103.963   7.5603   93.020   11.886 10.94290 14.08641 
1 1 1   -5   16   44 o  131.990   6.3258  125.446   10.336  136.438   12.653  103.397   17.920  141.464   6.6002  122.517   10.794 18.94698 12.65168 
1 1 1   -5   16   45 o   38.202   10.399   6.4314   7.8036   1.7241   11.179   10.905   10.898   34.170   14.328   42.233   15.074 -8.062912 20.79714 
1 1 1   -5   16   46 o  123.118   6.3160  104.147   9.7765  104.342   11.813  103.724   17.416  123.597   7.0531  122.640   10.480 0.9576263 12.63199 
1 1 1   -5   16   47 o  145.168   5.9720  147.653   10.729  152.566   12.914  136.708   19.275  149.531   6.3731  140.805   10.102 8.726013 11.94395 
1 1 1   -5   16   48 o   45.966   10.384   14.692   7.4862   18.468   10.050   9.9860   11.220   50.526   14.128   41.405   15.223 9.120857 20.76871 
1 1 1   -5   16   49 o  178.529   5.0865  218.211   12.255  217.815   18.164  218.542   16.603  178.296   7.5178  178.761   6.8537 -0.4649811 10.17303 
1 1 1   -5   16   50 o  117.778   7.4036  101.512   10.381   84.382   19.201  108.587   12.339  109.662   12.920  125.894   7.2328 -16.23180 14.80711 
1 1 1   -5   16   51 o   99.247   8.4694   68.499   11.299   72.280   17.276   65.672   14.937  101.467   12.564   97.027   11.361 4.440231 16.93874 
1 1 1   -5   16   52 o   40.041   9.6692   9.6073   6.2999   15.298   10.112   5.9977   8.0538   46.322   14.497   33.761   12.798 12.56052 19.33834 
1 1 1   -5   16   53 o   68.489   7.5071   32.289   6.7230   40.765   10.444   26.293   8.7851   76.542   10.069   60.435   11.137 16.10697 15.01423 
1 1 1   -5   16   54 o   36.684   9.4770   7.9294   6.0594   9.3802   9.4496   6.9162   7.8966   38.828   14.017   34.539   12.759 4.288616 18.95404 
1 1 1   -5   16   55 o   80.046   9.9309   48.646   10.140   34.939   15.096   59.918   13.689   67.744   16.578   92.347   10.938 -24.60289 19.86183 
1 1 1   -5   16   56 o   75.425   7.0297   38.900   7.1004   46.564   11.104   33.598   9.2353   81.539   10.049   69.311   9.8326 12.22839 14.05939 
1 1 1   -5   16   57 o   61.994   10.209   27.486   7.6514   32.235   14.943   25.798   8.9077   64.561   16.887   59.427   11.477 5.134174 20.41762 
1 1 1   -5   16   58 o   51.214   11.880   18.220   9.7696   27.742   14.887   11.017   12.948   59.683   17.362   42.744   16.222 16.93808 23.76085 
1 1 1   -5   16   59 o   88.093   6.7251   55.664   7.8472   45.116   11.519   64.800   10.720   79.734   10.660   96.452   8.2014 -16.71794 13.45022 
1 1 1   -5   16   60 o   67.694   9.5280   31.417   7.6566   42.273   15.033   27.615   8.8971   74.028   15.483   61.361   11.109 12.66651 19.05593 
1 1 1   -5   16   61 o   54.884   10.382   23.792   7.3387   20.558   14.553   24.895   8.4983   51.724   17.478   58.044   11.210 -6.319317 20.76435 
1 1 1   -5   16   62 o   39.185   10.408   9.4682   6.7725   9.8067   13.708   9.3589   7.7897   41.551   16.433   36.819   12.777 4.732124 20.81570 
1 1 1   -5   16   63 o   63.875   10.045   28.257   7.6355   40.279   15.268   24.248   8.8173   70.981   16.227   56.769   11.845 14.21184 20.08993 
1 1 1   -5   16   64 o   70.794   9.7523   40.082   8.1592   34.054   15.267   42.492   9.6533   64.308   17.189   77.281   9.2177 -12.97284 19.50456 
1 1 1   -5   16   65 o   52.529   10.488   18.839   10.054   41.544   14.119  -4.5224   14.321   72.538   14.863   32.520   14.801 40.01763 20.97523 
1 1 1   -5   16   66 o   48.099   16.667   18.263   13.253   18.263   13.253   0.0000   0.0000   48.099   16.667  ?   ?       ?      ? 
1 1 1   -5   16   67 o   24.039   11.587 -14.4160   11.247 -14.4160   11.247   0.0000   0.0000   24.039   11.587  ?   ?       ?      ? 
1 1 1   -5   16   68 o   43.167   10.404   9.7067   8.8924   27.415   12.879  -6.4259   12.293   57.479   15.965   28.854   13.344 28.62506 20.80735 
1 1 1   -5   16   69 o   35.105   10.396   3.9650   8.5153  -1.3838   11.854   9.6674   12.240   30.949   13.829   39.261   15.528 -8.312159 20.79283 
1 1 1   -5   16   70 o   48.199   10.621   15.615   9.0142   0.9248   12.095   33.971   13.520   32.541   14.280   63.858   15.727 -31.31760 21.24290 
1 1 1   -5   16   71 o   27.753   9.1211  -6.5238   8.2236  -6.3501   11.024  -6.7418   12.348   26.993   12.537   28.512   13.251 -1.519190 18.24226 
1 1 1   -5   16   72 o   49.702   10.798   19.674   9.3032   33.810   12.905   4.3798   13.424   63.662   15.174   35.742   15.368 27.91975 21.59647 
1 1 1   -5   16   73 o   34.686   14.902   4.1569   12.603   0.0000   0.0000   4.1569   12.603  ?   ?    34.686   14.902      ?      ? 
1 1 1   -5   16   74 o   36.573   10.708   7.0572   8.7211   3.6327   11.928   10.990   12.783   33.512   14.448   39.633   15.807 -6.120880 21.41515 
1 1 1   -5   16   75 o   51.375   11.633   23.960   9.3284   27.674   12.676   19.573   13.778   55.799   15.959   46.950   16.929 8.849346 23.26534 
1 1 1   -5   16   76 o   29.264   9.4572  -2.4806   8.3706  -0.6511   11.108  -4.8847   12.733   29.498   13.268   29.031   13.480 0.4672947 18.91430 
1 1 1   -5   16   77 o   41.427   11.161   14.159   9.0748   19.981   12.413   7.4746   13.301   46.626   16.132   36.228   15.429 10.39840 22.32247 
1 1 1   -5   16   78 o   26.177   8.7038  -8.2727   8.2163  -0.2614   11.153 -17.7790   12.150   29.277   13.219   23.078   11.326 6.198463 17.40759 
1 1 1   -5   16   79 o   45.516   11.256   18.271   9.2912   7.4980   12.539   31.387   13.836   34.935   14.932   56.098   16.847 -21.16350 22.51183 
1 1 1   -5   16   80 o   28.733   9.3559  -2.0455   8.5649   2.6160   11.674  -7.4789   12.604   30.776   13.739   26.690   12.703 4.085783 18.71182 
1 1 1   -5   16   81 o   43.690   11.532   19.849   9.5334   25.969   13.255   13.291   13.721   49.217   16.681   38.164   15.928 11.05355 23.06380 
1 1 1   -5   17    1 o  131.059   6.6884  107.234   10.667   96.163   12.324  140.304   21.301  118.869   7.6509  143.249   10.973 -24.37984 13.37685 
1 1 1   -5   17    2 o  119.454   7.4945  100.946   10.573  104.886   12.385   90.358   20.303  124.164   7.3607  114.744   13.057 9.420166 14.98896 
1 1 1   -5   17    3 o  124.529   6.4054  104.470   10.639  112.604   16.841   99.068   13.725  128.461   9.6742  120.597   8.3980 7.863930 12.81084 
1 1 1   -5   17    4 o  125.823   6.3300  105.881   10.621  119.100   16.924   97.293   13.641  132.135   9.4517  119.510   8.4228 12.62528 12.66010 
1 1 1   -5   17    5 o  121.546   6.6523  103.659   10.598   86.720   16.385  115.842   13.896  112.641   10.734  130.450   7.8606 -17.80851 13.30459 
1 1 1   -5   17    6 o  139.506   6.0804  129.899   11.290  146.697   18.119  119.237   14.435  146.680   9.1153  132.332   8.0496 14.34805 12.16082 
1 1 1   -5   17    7 o   83.802   7.7778   48.797   8.6661   42.981   13.095   53.329   11.559   79.199   12.201   88.405   9.6490 -9.205635 15.55559 
1 1 1   -5   17    8 f   74.680   8.5336   37.808   8.2965   49.636   12.804   29.248   10.893   85.190   11.091   64.169   12.972 21.02113 17.06720 
1 1 1   -5   17    9 o   64.901   9.4620   29.573   7.9983   33.629   12.188   26.505   10.600   68.810   13.553   60.991   13.208 7.818554 18.92390 
1 1 1   -5   17   10 f   57.545   10.039   23.939   7.8077   20.206   11.602   27.029   10.556   53.467   15.260   61.623   13.047 -8.155735 20.07704 
1 1 1   -5   17   11 o   26.986   8.6022  -5.4185   6.7738 -10.1320   10.066  -1.5168   9.1578   25.126   11.771   28.845   12.547 -3.719378 17.20437 
1 1 1   -5   17   12 o  106.095   6.2138   74.988   8.6916   53.638   11.459  103.910   13.337   88.659   9.5378  123.532   7.9671 -34.87302 12.42752 
1 1 1   -5   17   13 o  138.846   5.7502  120.239   9.4752  109.791   10.813  154.786   19.664  127.097   6.2782  150.595   9.6356 -23.49764 11.50047 
1 1 1   -5   17   14 o  151.566   5.8460  153.200   10.387  150.034   11.931  163.109   21.108  148.598   5.9249  154.533   10.080 -5.934402 11.69196 
1 1 1   -5   17   15 o  130.358   6.0104  108.472   9.3872  100.941   10.801  131.728   18.979  121.847   6.5412  138.868   10.085 -17.02132 12.02080 
1 1 1   -5   17   16 o  162.955   5.7607  170.599   11.164  160.426   12.814  202.625   22.737  153.638   6.1548  172.272   9.7397 -18.63397 11.52143 
1 1 1   -5   17   17 o  208.154   5.7587  296.681   14.247  298.355   16.589  291.978   27.811  209.550   5.8418  206.758   9.9259 2.791870 11.51737 
1 1 1   -5   17   18 o  163.757   5.9308  189.044   11.602  196.785   13.679  169.197   21.902  170.173   5.9317  157.341   10.272 12.83253 11.86170 
1 1 1   -5   17   19 o  123.638   6.8159  101.213   11.178   89.957   14.152  119.881   18.225  114.829   9.0948  132.447   10.154 -17.61858 13.63174 
1 1 1   -5   17   20 o  134.185   6.7150  124.940   11.781  131.400   15.050  114.719   18.933  138.884   7.9966  129.486   10.790 9.398941 13.43005 
1 1 1   -5   17   21 o  258.136   5.7800  441.460   17.670  428.737   20.367  480.183   35.533  251.164   5.9840  265.108   9.8906 -13.94421 11.55992 
1 1 1   -5   17   22 o  230.910   6.1778  357.475   18.545  342.684   22.951  385.295   31.477  224.338   7.5495  237.482   9.7809 -13.14403 12.35558 
1 1 1   -5   17   23 o   90.265   7.6797   55.585   8.7902   55.231   10.678   56.331   15.484   89.982   8.7566   90.548   12.619 -0.5664063 15.35931 
1 1 1   -5   17   24 o   99.276   7.1996   63.355   9.2026   55.436   11.121   80.553   16.390   90.119   9.1065  108.434   11.154 -18.31415 14.39923 
1 1 1   -5   17   25 o  119.556   6.6188   98.245   10.062   99.465   12.312   95.789   17.462  120.850   7.5178  118.263   10.896 2.586502 13.23754 
1 1 1   -5   17   26 o  109.350   6.7729   79.054   9.5193   73.813   11.571   90.028   16.744  104.048   8.2065  114.652   10.777 -10.60358 13.54584 
1 1 1   -5   17   27 o   72.791   9.1807   38.683   8.1752   41.617   10.025   32.860   14.124   78.039   9.4798   67.543   15.725 10.49673 18.36144 
1 1 1   -5   17   28 o   98.800   8.3975   66.594   11.243   66.594   11.243   0.0000   0.0000   98.800   8.3975  ?   ?       ?      ? 
1 1 1   -5   17   29 o   49.960   13.326   17.812   9.1880   17.812   9.1880   0.0000   0.0000   49.960   13.326  ?   ?       ?      ? 
1 1 1   -5   17   30 o  113.840   6.9854   91.515   10.058   97.423   12.436   80.338   17.105  119.548   7.6762  108.132   11.673 11.41499 13.97088 
1 1 1   -5   17   31 o  154.693   6.2662  166.609   12.356  173.278   15.270  153.967   21.026  159.494   7.0651  149.891   10.351 9.602982 12.53246 
1 1 1   -5   17   32 o   53.387   10.393   19.647   7.2222   18.770   8.5389   21.851   13.538   51.195   12.432   55.578   16.659 -4.382835 20.78620 
1 1 1   -5   17   33 o   40.742   10.139   10.450   6.8152   12.584   8.1114   5.3257   12.568   42.553   12.927   38.931   15.623 3.621681 20.27723 
1 1 1   -5   17   34 o   72.779   8.8632   38.065   7.6567   39.273   9.1142   35.167   14.115   75.779   8.8754   69.779   15.345 5.999458 17.72646 
1 1 1   -5   17   35 o  101.660   6.8922   71.736   8.5591   72.954   10.164   68.766   15.868  103.427   7.2521   99.892   11.722 3.534447 13.78440 
1 1 1   -5   17   36 o   77.079   7.7718   35.937   7.5807   27.418   8.9797   57.067   14.142   63.161   10.491   90.997   11.469 -27.83605 15.54357 
1 1 1   -5   17   37 o   68.085   9.0337   29.877   7.5109   24.680   8.8988   42.751   14.005   58.838   11.573   77.331   13.874 -18.49332 18.06734 
1 1 1   -5   17   38 o   49.661   10.413   16.404   7.0640   14.381   8.4644   21.045   12.822   45.037   13.089   54.285   16.199 -9.248051 20.82622 
1 1 1   -5   17   39 o  108.711   7.2380   88.129   9.2954   97.477   11.129   66.559   16.905  119.513   6.8715   97.908   12.741 21.60527 14.47607 
1 1 1   -5   17   40 o  141.928   6.1922  143.094   10.838  151.081   13.101  125.770   19.295  148.818   6.4961  135.038   10.544 13.78043 12.38445 
1 1 1   -5   17   41 o   93.790   8.2268   63.519   10.004   76.252   13.366   47.307   15.083  105.298   9.3673   82.283   13.527 23.01523 16.45352 
1 1 1   -5   17   42 o   67.717   8.9917   31.941   7.5565   30.844   9.1376   34.315   13.440   66.857   10.086   68.576   14.889 -1.719116 17.98344 
1 1 1   -5   17   43 o   36.710   9.5714   6.2391   7.1850   13.551   8.7987  -8.3957   12.448   43.862   13.490   29.557   13.582 14.30492 19.14282 
1 1 1   -5   17   44 o   87.514   7.9823   53.561   9.3897   56.400   12.727   50.170   13.909   90.241   10.408   84.787   12.106 5.453705 15.96458 
1 1 1   -5   17   45 o   56.007   10.606   23.298   8.2888   26.819   11.225   19.075   12.292   60.506   13.972   51.508   15.961 8.998260 21.21280 
1 1 1   -5   17   46 o   44.570   10.911   13.097   7.9878   12.478   10.674   13.883   12.042   43.394   14.963   45.745   15.886 -2.350845 21.82285 
1 1 1   -5   17   47 o   79.238   8.9952   43.396   9.6589   43.396   9.6589   0.0000   0.0000   79.238   8.9952  ?   ?       ?      ? 
1 1 1   -5   17   48 o  137.597   6.6491  129.787   12.398  129.787   12.398   0.0000   0.0000  137.597   6.6491  ?   ?       ?      ? 
1 1 1   -5   17   49 o   93.476   7.1039   61.321   8.3827   62.116   10.204   59.673   14.702   94.903   7.9343   92.049   11.786 2.854019 14.20783 
1 1 1   -5   17   50 o   51.049   10.923   19.209   8.7796   9.3937   13.183   27.033   11.770   41.974   16.256   60.124   14.593 -18.15042 21.84521 
1 1 1   -5   17   51 f   65.238   8.7028   28.015   7.3002   19.626   8.9982   44.169   12.487   51.469   12.921   79.008   11.663 -27.53949 17.40563 
1 1 1   -5   17   52 o   40.780   9.5686   11.667   6.5990   16.305   8.2797   3.5905   10.926   46.941   12.706   34.619   14.311 12.32198 19.13719 
1 1 1   -5   17   53 o   26.794   8.4481  -2.6677   6.1183  -3.4972   7.9632  -1.4723   9.5591   24.767   11.178   28.821   12.670 -4.053516 16.89612 
1 1 1   -5   17   54 o   33.255   9.6420   2.8134   6.9684  -0.6889   9.1429   7.6679   10.764   28.695   12.508   37.814   14.677 -9.119719 19.28406 
1 1 1   -5   17   55 o   34.691   9.0818   6.6548   6.0400   0.5271   9.2066   11.285   8.0029   29.657   12.738   39.726   12.948 -10.06926 18.16361 
1 1 1   -5   17   56 o   51.554   9.5085   22.594   7.1043   7.5598   13.937   27.872   8.2576   40.313   16.355   62.796   9.7038 -22.48246 19.01695 
1 1 1   -5   17   57 o   66.459   9.2559   26.444   7.4373   50.967   15.266   18.811   8.5164   83.062   13.562   49.857   12.600 33.20580 18.51175 
1 1 1   -5   17   58 o   55.890   10.603   23.312   7.4319   26.732   14.841   22.167   8.5861   57.514   17.488   54.265   11.995 3.249371 21.20623 
1 1 1   -5   17   59 o   72.076   9.7952   41.719   8.1815   34.612   15.664   44.385   9.5941   64.960   17.431   79.191   8.9402 -14.23111 19.59037 
1 1 1   -5   17   60 o   45.487   10.796   15.018   7.1451   16.960   14.328   14.376   8.2432   47.543   17.244   43.432   12.995 4.111362 21.59261 
1 1 1   -5   17   61 o   57.901   10.097   22.105   7.3231   39.736   14.244   15.772   8.5378   70.596   15.329   45.206   13.148 25.39011 20.19479 
1 1 1   -5   17   62 o   90.949   12.888   62.106   15.885   62.106   15.885   0.0000   0.0000   90.949   12.888  ?   ?       ?      ? 
1 1 1   -5   17   63 o   62.699   16.490   32.660   14.198   32.660   14.198   0.0000   0.0000   62.699   16.490  ?   ?       ?      ? 
1 1 1   -5   17   64 o   34.076   10.365   2.5368   8.6878   4.7393   12.123   0.2113   12.457   35.429   14.891   32.723   14.422 2.705997 20.73020 
1 1 1   -5   17   65 o   74.041   10.791   44.428   10.727   28.498   14.790   62.111   15.582   57.572   17.447   90.511   12.704 -32.93924 21.58250 
1 1 1   -5   17   66 o   58.084   11.808   28.764   9.7951   29.826   13.911   27.720   13.795   59.178   16.647   56.990   16.751 2.187992 23.61637 
1 1 1   -5   17   67 o   58.826   11.701   29.654   9.7539   32.210   13.725   27.045   13.865   61.638   16.214   56.013   16.874 5.624249 23.40141 
1 1 1   -5   17   68 o   67.662   11.119   38.163   10.071   30.434   13.744   47.125   14.801   59.431   16.487   75.894   14.923 -16.46274 22.23779 
1 1 1   -5   17   69 o   71.615   10.916   42.892   10.548   32.534   14.786   53.624   15.051   60.567   17.207   82.662   13.436 -22.09534 21.83127 
1 1 1   -5   17   70 o   36.521   15.177   7.1316   12.383   0.0000   0.0000   7.1316   12.383  ?   ?    36.521   15.177      ?      ? 
1 1 1   -5   17   71 o   33.936   14.724   3.5882   12.547   0.0000   0.0000   3.5882   12.547  ?   ?    33.936   14.724      ?      ? 
1 1 1   -5   17   72 o   30.555   9.4482  -4.0381   8.2405 -17.2118   11.357   10.606   11.975   22.615   11.068   38.494   15.316 -15.87902 18.89642 
1 1 1   -5   17   73 o   33.214   9.9559   0.5918   8.4408 -10.4596   11.343   14.303   12.635   24.895   11.904   41.534   15.962 -16.63975 19.91176 
1 1 1   -5   17   74 o   43.469   11.395   16.679   8.9708   13.354   12.298   20.461   13.115   40.207   15.665   46.732   16.552 -6.525524 22.78942 
1 1 1   -5   17   75 o   56.135   11.773   30.647   9.6346   32.430   13.306   28.683   13.969   58.473   16.223   53.797   17.066 4.675713 23.54620 
1 1 1   -5   17   76 o   34.736   10.338   6.9183   8.6888   13.504   11.907  -0.5828   12.708   39.294   15.385   30.178   13.814 9.116331 20.67680 
1 1 1   -5   17   77 o   29.410   9.2607  -6.8559   8.3763 -23.4643   11.304   13.367   12.474   20.150   10.065   38.670   15.548 -18.52024 18.52150 
1 1 1   -5   17   78 o   28.783   9.3574  -0.7649   8.4693   2.8872   11.598  -4.9375   12.397   30.407   13.626   27.159   12.829 3.248312 18.71478 
1 1 1   -5   18    1 o  121.604   5.8323  100.820   9.5401  100.840   12.744  100.795   14.389  121.664   7.7295  121.545   8.7361 0.1185150 11.66467 
1 1 1   -5   18    2 o  125.199   5.6863  107.327   9.5573  110.875   12.801  102.860   14.366  127.603   7.4030  122.794   8.6330 4.808464 11.37251 
1 1 1   -5   18    3 o  125.847   5.6469  106.571   9.5633   96.500   12.649  120.008   14.611  119.007   7.8435  132.686   8.1259 -13.67915 11.29385 
1 1 1   -5   18    4 o  130.522   5.6104  115.370   9.8596  110.124   13.102  122.221   14.972  127.152   7.6036  133.892   8.2517 -6.739708 11.22075 
1 1 1   -5   18    5 f  221.975   5.1057  331.827   15.270  301.253   20.322  371.483   23.144  210.370   7.1284  233.580   7.3116 -23.20976 10.21149 
1 1 1   -5   18    6 o  151.271   5.3670  155.101   10.960  147.665   14.742  164.289   16.387  147.258   7.3875  155.284   7.7873 -8.025269 10.73392 
1 1 1   -5   18    7 o  128.922   5.6670  112.840   9.8421  109.435   13.137  117.196   14.860  126.747   7.6482  131.096   8.3645 -4.348679 11.33405 
1 1 1   -5   18    8 o  196.930   5.1236  264.978   13.619  277.959   18.749  250.480   19.814  202.105   6.8458  191.756   7.6251 10.34929 10.24729 
1 1 1   -5   18    9 o  127.422   5.7031  110.829   9.7846  112.085   13.158  109.276   14.635  128.276   7.5693  126.568   8.5326 1.708168 11.40611 
1 1 1   -5   18   10 o   87.670   7.0185   51.317   8.2320   42.187   10.785   64.061   12.742   78.531   10.134   96.809   9.7124 -18.27863 14.03701 
1 1 1   -5   18   11 o  196.284   5.1671  261.800   13.704  255.372   18.592  269.448   20.280  193.681   7.0835  198.887   7.5247 -5.205948 10.33424 
1 1 1   -5   18   12 o  234.301   6.1852  364.606   18.299  348.087   21.946  402.284   33.144  226.106   7.1625  242.496   10.086 -16.38937 12.37046 
1 1 1   -5   18   13 o  120.631   7.0884  100.613   10.946  102.930   13.521   96.209   18.644  122.864   8.1208  118.397   11.620 4.467621 14.17679 
1 1 1   -5   18   14 o  159.687   6.4423  176.435   13.177  181.446   16.311  167.020   22.358  163.213   7.3747  156.161   10.565 7.052597 12.88457 
1 1 1   -5   18   15 o  186.710   5.8443  231.612   12.801  225.695   14.694  250.232   26.069  182.193   5.9517  191.228   10.060 -9.034500 11.68855 
1 1 1   -5   18   16 o   67.605   9.6047   34.884   7.3974   37.581   8.5256   26.669   14.880   74.210   8.4777   60.999   17.238 13.21063 19.20948 
1 1 1   -5   18   17 o  131.573   6.4498  122.221   9.7993  126.115   11.330  110.662   19.520  136.170   6.1402  126.976   11.344 9.194763 12.89950 
1 1 1   -5   18   18 o  137.714   6.5322  140.275   10.198  150.999   11.856  109.780   19.992  149.020   5.8710  126.407   11.671 22.61288 13.06442 
1 1 1   -5   18   19 o   74.575   8.1208   33.581   7.2475   29.091   8.2600   48.602   15.108   65.227   9.3447   83.923   13.284 -18.69598 16.24160 
1 1 1   -5   18   20 o   50.895   9.2584   20.819   6.8305   26.650   7.9860   4.9302   13.183   62.420   9.4411   39.369   15.929 23.05074 18.51689 
1 1 1   -5   18   21 o   52.733   10.116   19.235   6.7675   18.746   7.8566   20.644   13.322   51.233   11.588   54.233   16.586 -2.999413 20.23269 
1 1 1   -5   18   22 o  105.058   6.9721   75.953   8.5443   76.310   9.8553   74.873   17.145  105.846   6.8708  104.269   12.134 1.577492 13.94426 
1 1 1   -5   18   23 o   61.286   9.9861   25.739   8.2936   25.739   8.2936   0.0000   0.0000   61.286   9.9861  ?   ?       ?      ? 
1 1 1   -5   18   24 o  109.638   8.8703   82.199   13.179   82.199   13.179   0.0000   0.0000  109.638   8.8703  ?   ?       ?      ? 
1 1 1   -5   18   25 o   98.125   7.0865   64.541   8.3313   62.898   9.6748   69.255   16.388   96.028   7.4347  100.222   12.067 -4.194466 14.17308 
1 1 1   -5   18   26 o   48.419   9.7438   18.253   7.0105   23.170   8.2214   5.1512   13.420   57.117   11.021   39.721   16.072 17.39591 19.48756 
1 1 1   -5   18   27 o  101.661   7.7970   80.073   8.8534   89.711   10.390   54.535   16.914  114.736   6.6827   88.587   14.090 26.14881 15.59408 
1 1 1   -5   18   28 o  163.967   5.9913  185.783   11.707  187.917   13.675  179.930   22.648  166.126   6.0747  161.807   10.329 4.318497 11.98262 
1 1 1   -5   18   29 o  132.651   6.4119  126.847   10.113  134.787   11.974  107.102   18.884  140.656   6.2822  124.646   11.180 16.00984 12.82382 
1 1 1   -5   18   30 o   87.608   7.3982   50.557   7.9925   47.590   9.3879   58.373   15.236   83.391   8.3073   91.825   12.244 -8.433395 14.79647 
1 1 1   -5   18   31 o   85.027   7.4617   48.410   7.8541   46.469   9.2866   53.284   14.720   82.385   8.3181   87.668   12.390 -5.283234 14.92336 
1 1 1   -5   18   32 o  125.935   6.3733  106.113   9.6777  102.993   11.270  114.874   18.884  122.846   6.7700  129.024   10.800 -6.178146 12.74667 
1 1 1   -5   18   33 o  116.300   6.5172   90.211   9.3109   86.677   10.950   99.436   17.693  112.626   7.1745  119.975   10.882 -7.349022 13.03441 
1 1 1   -5   18   34 o  103.851   7.3220   72.114   10.049   64.681   12.639   84.892   16.571   96.931   9.6217  110.771   11.039 -13.83995 14.64396 
1 1 1   -5   18   35 o  140.562   6.5380  130.114   12.051  114.468   14.933  159.332   20.407  129.126   8.5341  151.999   9.9073 -22.87308 13.07608 
1 1 1   -5   18   36 o  136.727   8.4248  131.334   15.319  122.783   23.593  137.567   20.143  132.451   13.145  141.003   10.542 -8.552383 16.84967 
1 1 1   -5   18   37 o  166.987   7.9289  191.862   17.731  205.492   27.616  182.302   23.128  171.738   11.866  162.236   10.520 9.501846 15.85786 
1 1 1   -5   18   38 o  124.197   7.1917  109.009   11.627  115.933   14.834   97.979   18.723  129.833   8.4314  118.560   11.653 11.27309 14.38345 
1 1 1   -5   18   39 o  146.622   6.0137  144.939   10.741  141.114   12.598  155.121   20.552  143.644   6.4720  149.600   10.138 -5.956375 12.02749 
1 1 1   -5   18   40 o   62.480   9.6601   28.876   7.5225   30.163   9.0031   25.899   13.692   65.936   10.076   59.025   16.485 6.910366 19.32012 
1 1 1   -5   18   41 o   62.948   9.4678   30.381   7.3259   33.160   8.7439   23.835   13.419   69.210   9.3230   56.687   16.482 12.52320 18.93569 
1 1 1   -5   18   42 o  105.585   6.6731   77.231   8.7461   77.106   10.460   77.519   15.946  105.935   7.2862  105.235   11.182 0.7001953 13.34624 
1 1 1   -5   18   43 o  112.166   7.1094   86.456   10.806   86.456   10.806   0.0000   0.0000  112.166   7.1094  ?   ?       ?      ? 
1 1 1   -5   18   44 o   71.532   9.5012   35.603   9.2100   35.603   9.2100   0.0000   0.0000   71.532   9.5012  ?   ?       ?      ? 
1 1 1   -5   18   45 o   64.757   10.459   30.062   9.5609   47.487   14.341   16.120   12.828   81.569   12.974   47.945   16.409 33.62309 20.91791 
1 1 1   -5   18   46 o   62.931   10.126   30.084   8.3996   32.733   11.115   26.556   12.825   66.742   12.754   59.120   15.732 7.621132 20.25268 
1 1 1   -5   18   47 o   48.919   9.7829   13.892   6.8650   6.4920   8.2507   30.544   12.376   34.230   12.959   63.609   14.659 -29.37977 19.56577 
1 1 1   -5   18   48 f   77.387   8.4605   45.992   7.7305   50.595   9.4188   36.493   13.532   85.341   8.1443   69.432   14.832 15.90960 16.92098 
1 1 1   -5   18   49 o   79.160   8.1748   46.666   7.8191   49.322   9.5583   41.295   13.595   84.130   8.3839   74.190   14.036 9.939514 16.34956 
1 1 1   -5   18   50 o   26.231   8.3283  -2.9317   6.0004  -3.1896   7.6579  -2.5216   9.6573   24.346   10.977   28.115   12.528 -3.768772 16.65662 
1 1 1   -5   18   51 o   49.974   9.8113   18.561   6.6770   17.315   8.3321   20.799   11.162   47.954   12.642   51.995   15.007 -4.040569 19.62261 
1 1 1   -5   18   52 o   55.410   8.8868   19.974   6.8027   10.529   8.4349   37.547   11.506   38.774   13.305   72.045   11.785 -33.27146 17.77362 
1 1 1   -5   18   53 o   29.011   8.9667  -1.5649   6.8730  -6.4458   9.7315   3.2928   9.7084   25.669   11.872   32.353   13.441 -6.684252 17.93335 
1 1 1   -5   18   54 o   36.768   10.076   7.1005   7.3523   2.6932   10.269   11.735   10.531   32.452   13.676   41.084   14.802 -8.632736 20.15276 
1 1 1   -5   18   55 o   43.802   9.5892   10.820   7.6076  -2.8039   10.273   27.363   11.320   28.490   12.791   59.113   14.290 -30.62269 19.17849 
1 1 1   -5   18   56 o   61.036   9.2594   27.560   7.8287   14.197   10.401   45.027   11.891   43.473   14.776   78.600   11.164 -35.12674 18.51886 
1 1 1   -5   18   57 o   35.015   9.9090   6.1311   7.2008   8.4456   9.9233   3.5570   10.465   36.944   14.158   33.086   13.867 3.857651 19.81790 
1 1 1   -5   18   58 o   38.480   10.664   6.9885   8.0265   15.763   13.309   1.9730   10.062   45.660   16.611   31.299   13.377 14.36129 21.32790 
1 1 1   -5   18   59 o   34.301   14.753   2.6756   12.380   2.6756   12.380   0.0000   0.0000   34.301   14.753  ?   ?       ?      ? 
1 1 1   -5   18   60 o   84.320   13.670   54.620   15.620   54.620   15.620   0.0000   0.0000   84.320   13.670  ?   ?       ?      ? 
1 1 1   -5   18   61 o   92.839   9.0914   65.232   11.395   73.354   16.715   58.179   15.576   98.469   12.526   87.208   13.180 11.26130 18.18273 
1 1 1   -5   18   62 o   79.522   10.030   49.820   10.558   54.926   15.268   45.139   14.617   84.437   13.343   74.608   14.978 9.829399 20.05956 
1 1 1   -5   18   63 o   57.641   11.125   27.705   9.5912   15.438   13.354   40.772   13.784   44.558   16.566   70.724   14.854 -26.16595 22.25047 
1 1 1   -5   18   64 o   56.775   10.950   26.672   9.3792   40.798   13.625   13.948   12.931   70.657   14.708   42.893   16.227 27.76331 21.90076 
1 1 1   -5   18   65 o   55.891   11.211   26.418   9.4479   15.653   13.081   38.158   13.660   44.246   16.406   67.536   15.283 -23.28912 22.42159 
1 1 1   -5   18   66 o   41.273   15.856   12.844   12.466   0.0000   0.0000   12.844   12.466  ?   ?    41.273   15.856      ?      ? 
1 1 1   -5   18   67 o   43.553   16.058   15.635   12.497   0.0000   0.0000   15.635   12.497  ?   ?    43.553   16.058      ?      ? 
1 1 1   -5   18   68 o   30.118   9.5744  -0.7378   8.1685  -0.5308   11.675  -0.9363   11.433   30.367   13.635   29.869   13.445 0.4981403 19.14875 
1 1 1   -5   18   69 o   44.846   10.553   14.280   8.9357  -0.8094   12.254   31.418   13.059   30.601   13.833   59.091   15.941 -28.49013 21.10610 
1 1 1   -5   18   70 o   41.586   11.235   14.400   8.8988   10.766   12.278   18.421   12.916   38.167   15.397   45.006   16.365 -6.838291 22.46994 
1 1 1   -5   18   71 o   36.741   10.655   8.6066   8.7629   2.2840   12.222   15.296   12.571   31.821   14.142   41.660   15.942 -9.838793 21.31057 
1 1 1   -5   18   72 o   57.720   11.910   33.154   10.020   37.178   13.865   28.755   14.497   62.474   16.230   52.965   17.435 9.509396 23.81993 
1 1 1   -5   18   73 o   33.001   9.8401  -0.9670   8.6469 -16.6854   11.592   18.750   12.983   22.425   11.017   43.578   16.308 -21.15299 19.68011 
1 1 1   -5   18   74 o   32.892   10.135   5.9380   8.5349   8.1730   11.833   3.5144   12.322   34.257   14.570   31.527   14.092 2.730236 20.27017 
1 1 1   -5   19    1 o  171.639   5.3421  201.719   12.353  208.505   16.767  193.662   18.270  174.882   7.0748  168.397   8.0061 6.484802 10.68416 
1 1 1   -5   19    2 o   64.457   9.0209   28.215   7.6716   20.806   9.9820   38.908   11.991   53.776   13.668   75.138   11.776 -21.36160 18.04176 
1 1 1   -5   19    3 o   60.243   9.5137   25.154   7.5340   19.492   9.7814   33.413   11.813   52.095   13.680   68.391   13.225 -16.29583 19.02734 
1 1 1   -5   19    4 o  171.265   5.3113  198.023   12.250  181.948   16.251  219.176   18.642  163.326   7.3424  179.203   7.6764 -15.87704 10.62251 
1 1 1   -5   19    5 o  196.189   6.4627  264.646   16.487  259.310   27.336  267.697   20.670  194.337   10.380  198.042   7.7020 -3.704575 12.92531 
1 1 1   -5   19    6 o   66.964   10.995   31.222   9.6492   39.955   15.511   25.709   12.324   74.306   15.885   59.621   15.206 14.68482 21.99009 
1 1 1   -5   19    7 o  106.241   8.0359   76.577   11.230   82.381   18.506   73.194   14.129  109.202   12.505  103.279   10.095 5.923286 16.07173 
1 1 1   -5   19    8 o  229.461   5.2730  359.166   16.356  358.016   22.348  360.492   24.003  229.120   7.1978  229.802   7.7079 -0.6815796 10.54610 
1 1 1   -5   19    9 o  130.799   5.8131  116.870   10.239  116.498   13.726  117.335   15.375  130.627   7.7540  130.972   8.6628 -0.3452759 11.62618 
1 1 1   -5   19   10 o   97.865   6.8102   67.690   8.7477   78.710   11.708   53.763   13.162  107.335   8.0492   88.395   10.987 18.94022 13.62032 
1 1 1   -5   19   11 o   56.183   9.1296   23.832   7.5077   36.212   10.005   7.8767   11.358   72.620   10.167   39.746   15.167 32.87429 18.25922 
1 1 1   -5   19   12 o  178.441   6.5652  222.320   14.957  231.389   18.523  205.326   25.355  184.131   7.4234  172.751   10.831 11.38004 13.13046 
1 1 1   -5   19   13 o  162.254   6.0312  171.260   11.301  163.741   12.827  197.335   23.888  155.069   6.1042  169.438   10.404 -14.36905 12.06232 
1 1 1   -5   19   14 o  154.293   6.3336  168.053   11.134  172.620   12.784  153.705   22.660  159.235   5.9245  149.350   11.196 9.884232 12.66712 
1 1 1   -5   19   15 o  152.894   6.0619  155.108   10.759  150.710   12.283  169.607   22.304  148.760   6.0930  157.028   10.482 -8.267929 12.12388 
1 1 1   -5   19   16 f  145.778   6.2149  136.842   10.444  129.606   11.825  162.519   22.275  137.916   6.3270  153.639   10.699 -15.72313 12.42974 
1 1 1   -5   19   17 o   73.443   8.6194   36.938   8.5785   36.938   8.5785   0.0000   0.0000   73.443   8.6194  ?   ?       ?      ? 
1 1 1   -5   19   18 f   54.814   11.116   21.445   7.9748   21.445   7.9748   0.0000   0.0000   54.814   11.116  ?   ?       ?      ? 
1 1 1   -5   19   19 o   52.895   10.266   21.123   7.0836   23.053   8.1225   14.994   14.476   56.906   10.930   48.884   17.382 8.021626 20.53267 
1 1 1   -5   19   20 o  111.509   6.8443   84.274   8.9439   83.102   10.294   87.883   18.066  110.343   6.8842  112.675   11.832 -2.331711 13.68866 
1 1 1   -5   19   21 o  108.994   6.7083   79.847   8.6639   77.993   10.006   85.397   17.316  106.884   6.9085  111.104   11.501 -4.219849 13.41670 
1 1 1   -5   19   22 f   59.468   10.017   24.372   7.1877   23.023   8.3248   28.320   14.247   56.768   11.219   62.169   16.599 -5.400970 20.03500 
1 1 1   -5   19   23 o   62.179   9.5812   32.055   7.3244   37.806   8.5892   16.726   14.022   74.243   8.5373   50.116   17.156 24.12711 19.16236 
1 1 1   -5   19   24 o   76.996   8.0700   35.965   7.5639   30.329   8.6928   53.535   15.348   66.367   9.6655   87.625   12.926 -21.25716 16.13990 
1 1 1   -5   19   25 o  109.009   6.6422   76.066   8.7669   69.768   10.131   94.845   17.494  100.978   7.4035  117.040   11.030 -16.06237 13.28437 
1 1 1   -5   19   26 o   61.513   9.6561   30.280   7.3154   34.565   8.5836   18.907   13.984   70.899   8.9340   52.127   17.122 18.77271 19.31229 
1 1 1   -5   19   27 o   79.933   8.3254   34.479   7.7459   20.007   8.8961   79.842   15.750   52.520   12.650  107.346   10.827 -54.82553 16.65081 
1 1 1   -5   19   28 o  135.787   6.2957  121.998   10.326  116.424   11.998  137.922   20.280  130.482   6.7856  141.092   10.607 -10.60959 12.59144 
1 1 1   -5   19   29 o  102.253   7.4516   76.542   8.9587   81.470   10.562   63.905   16.913  109.075   7.1456   95.432   13.078 13.64311 14.90313 
1 1 1   -5   19   30 o   61.690   9.9732   25.149   7.4274   21.724   8.6368   34.875   14.554   54.775   11.970   68.606   15.956 -13.83091 19.94645 
1 1 1   -5   19   31 o   94.612   8.0484   63.427   10.024   67.392   13.000   57.614   15.742   98.682   9.7211   90.543   12.830 8.139191 16.09683 
1 1 1   -5   19   32 o  106.797   7.3924   77.973   10.483   73.123   13.375   85.699   16.881  102.771   9.6038  110.823   11.241 -8.051254 14.78474 
1 1 1   -5   19   33 o   54.540   10.193   20.680   7.1460   18.687   8.5022   25.474   13.189   50.584   12.480   58.497   16.120 -7.913795 20.38689 
1 1 1   -5   19   34 o   48.330   10.273   15.334   6.7624   12.676   8.0068   21.949   12.630   42.162   12.851   54.499   16.031 -12.33675 20.54594 
1 1 1   -5   19   35 o   87.370   7.2271   46.448   7.7649   38.340   8.9751   70.578   15.484   74.428   8.8986  100.311   11.390 -25.88348 14.45427 
1 1 1   -5   19   36 o   54.099   10.133   20.162   6.9441   18.025   8.1495   25.824   13.268   49.590   12.209   58.609   16.176 -9.019699 20.26591 
1 1 1   -5   19   37 o   37.480   9.9698   7.0815   6.3629   5.3807   7.5409   11.286   11.856   32.308   12.351   42.653   15.654 -10.34436 19.93958 
1 1 1   -5   19   38 o   58.884   9.6657   25.903   7.0364   26.812   8.2308   23.434   13.563   61.975   9.8004   55.792   16.663 6.182743 19.33142 
1 1 1   -5   19   39 o   36.401   12.710   8.6607   7.7141   8.6607   7.7141   0.0000   0.0000   36.401   12.710  ?   ?       ?      ? 
1 1 1   -5   19   40 o   70.957   14.041   37.503   13.024   37.503   13.024   0.0000   0.0000   70.957   14.041  ?   ?       ?      ? 
1 1 1   -5   19   41 o   65.301   9.1209   28.629   7.2216   24.260   8.5086   39.885   13.657   57.615   11.302   72.986   14.319 -15.37059 18.24176 
1 1 1   -5   19   42 o   28.656   8.5840  -0.1670   6.2224   5.4722   7.5053 -12.5639   11.128   32.158   12.315   25.153   11.961 7.004295 17.16800 
1 1 1   -5   19   43 o   28.338   8.6920  -0.2019   6.1316   2.6260   7.4692  -6.0460   10.737   29.002   11.893   27.673   12.679 1.329325 17.38394 
1 1 1   -5   19   44 o   89.609   6.8925   52.477   7.8054   45.906   9.2598   68.609   14.508   81.078   8.4278   98.140   10.909 -17.06145 13.78509 
1 1 1   -5   19   45 o   76.231   8.3514   43.002   7.6711   44.093   9.2684   40.629   13.669   79.339   8.6206   73.123   14.306 6.215607 16.70272 
1 1 1   -5   19   46 o   59.852   9.1946   23.744   6.9864   16.284   8.4173   40.266   12.526   46.430   12.910   73.274   13.095 -26.84346 18.38913 
1 1 1   -5   19   47 o   72.424   9.0312   43.612   7.6425   51.282   9.3200   27.869   13.353   85.607   8.0338   59.240   16.177 26.36719 18.06230 
1 1 1   -5   19   48 o   36.121   9.7360   6.3860   6.4698   2.9697   8.0288   12.713   10.926   29.856   12.297   42.386   15.097 -12.52999 19.47197 
1 1 1   -5   19   49 o   83.128   8.7604   52.792   9.2577   61.102   12.371   42.216   13.957   92.466   9.8729   73.789   14.474 18.67654 17.52089 
1 1 1   -5   19   50 o   53.716   10.440   23.122   8.0765   28.867   11.026   16.472   11.863   61.014   13.674   46.418   15.780 14.59615 20.88063 
1 1 1   -5   19   51 o   61.312   10.061   28.945   8.1270   25.235   10.617   34.194   12.630   56.732   13.915   65.891   14.535 -9.159225 20.12207 
1 1 1   -5   19   52 o   51.793   10.634   21.546   7.9212   22.936   10.750   19.895   11.716   53.715   14.452   49.871   15.604 3.844120 21.26872 
1 1 1   -5   19   53 o   45.600   11.459   15.973   8.8846   14.279   13.789   17.175   11.617   44.483   16.775   46.716   15.617 -2.232857 22.91896 
1 1 1   -5   19   54 o   43.654   10.731   13.285   8.8674   0.0371   13.518   23.292   11.749   33.838   14.963   53.471   15.386 -19.63303 21.46180 
1 1 1   -5   19   55 o   31.863   13.244   3.7619   9.4311   3.7619   9.4311   0.0000   0.0000   31.863   13.244  ?   ?       ?      ? 
1 1 1   -5   19   56 o   55.378   13.786   24.490   10.306   24.490   10.306   0.0000   0.0000   55.378   13.786  ?   ?       ?      ? 
1 1 1   -5   19   57 o   65.285   12.511   33.053   10.666   33.053   10.666   0.0000   0.0000   65.285   12.511  ?   ?       ?      ? 
1 1 1   -5   19   58 o   67.228   12.468   35.090   10.941   35.090   10.941   0.0000   0.0000   67.228   12.468  ?   ?       ?      ? 
1 1 1   -5   19   59 o   88.411   9.6037   56.953   11.506   56.953   11.506   0.0000   0.0000   88.411   9.6037  ?   ?       ?      ? 
1 1 1   -5   19   60 o   42.624   14.179   14.489   9.5787   14.489   9.5787   0.0000   0.0000   42.624   14.179  ?   ?       ?      ? 
1 1 1   -5   19   61 o   44.980   14.087   16.546   9.5460   16.546   9.5460   0.0000   0.0000   44.980   14.087  ?   ?       ?      ? 
1 1 1   -5   19   62 o   38.040   15.896   8.0712   13.691   8.0712   13.691   0.0000   0.0000   38.040   15.896  ?   ?       ?      ? 
1 1 1   -5   19   63 o   41.997   16.675   13.461   14.167   13.461   14.167   0.0000   0.0000   41.997   16.675  ?   ?       ?      ? 
1 1 1   -5   19   64 o   27.749   12.247   0.2506   9.0137   0.2506   9.0137   0.0000   0.0000   27.749   12.247  ?   ?       ?      ? 
1 1 1   -5   19   65 o   32.399   13.043   6.2839   8.7903   6.2839   8.7903   0.0000   0.0000   32.399   13.043  ?   ?       ?      ? 
1 1 1   -5   19   66 o   22.152   10.824 -15.4476   10.738 -15.4476   10.738   0.0000   0.0000   22.152   10.824  ?   ?       ?      ? 
1 1 1   -5   19   67 o   25.942   8.6657  -7.8923   8.0965  -3.2154   11.281 -12.8602   11.627   27.816   12.836   24.069   11.646 3.747526 17.33133 
1 1 1   -5   19   68 o   41.931   10.842   14.597   9.0195   25.726   12.557   2.7339   12.964   51.514   16.160   32.349   14.457 19.16515 21.68338 
1 1 1   -5   19   69 o   54.112   11.697   29.239   9.7950   20.162   13.483   39.381   14.253   44.754   16.644   63.470   16.440 -18.71609 23.39443 
1 1 1   -5   19   70 o   30.232   9.6674   0.7140   8.6304   6.3149   12.219  -4.8615   12.191   33.245   14.477   27.219   12.816 6.026136 19.33472 
1 1 1   -5   20    1 o   70.731   8.4655   35.291   7.8133   35.136   10.231   35.508   12.102   71.263   10.595   70.200   13.206 1.063347 16.93095 
1 1 1   -5   20    2 o   78.956   7.9350   41.781   8.0315   30.037   10.298   60.010   12.831   64.701   12.193   93.210   10.158 -28.50903 15.86991 
1 1 1   -5   20    3 o   85.515   7.1524   49.875   8.2021   46.431   10.715   54.749   12.748   82.068   9.6342   88.961   10.574 -6.892433 14.30489 
1 1 1   -5   20    4 f   60.669   9.5170   25.658   7.5740   19.646   9.7803   34.665   11.971   51.999   13.691   69.339   13.223 -17.33953 19.03397 
1 1 1   -5   20    5 o   80.353   8.2438   48.406   8.1405   62.121   10.930   31.323   12.199   95.108   8.4808   65.598   14.139 29.51024 16.48767 
1 1 1   -5   20    6 o   74.277   7.8662   37.374   7.8257   31.759   10.212   45.363   12.181   67.673   11.136   80.881   11.113 -13.20848 15.73245 
1 1 1   -5   20    7 o   52.689   10.003   19.241   7.3270   14.017   9.5197   26.833   11.476   44.759   14.076   60.619   14.217 -15.85983 20.00591 
1 1 1   -5   20    8 o   95.526   6.8200   63.499   8.7111   67.142   11.633   58.851   13.143   98.831   8.6861   92.222   10.517 6.609573 13.64006 
1 1 1   -5   20    9 o   53.439   10.513   20.206   7.8083   17.172   10.112   24.686   12.289   48.872   14.336   58.007   15.382 -9.135284 21.02669 
1 1 1   -5   20   10 o   98.796   8.8473   67.383   10.361   66.552   12.011   69.799   20.482   98.327   9.0142   99.265   15.226 -0.9385834 17.69467 
1 1 1   -5   20   11 o  134.077   7.6943  124.591   12.241  124.521   14.235  124.789   23.985  134.754   7.7952  133.400   13.268 1.354309 15.38851 
1 1 1   -5   20   12 o   97.315   8.7485   72.778   8.7754   77.331   9.9643   57.042   18.525  106.322   6.9158   88.308   16.072 18.01334 17.49706 
1 1 1   -5   20   13 o   88.970   7.6287   51.639   7.9992   48.539   9.1453   61.735   16.503   84.088   8.0257   93.853   12.976 -9.765381 15.25744 
1 1 1   -5   20   14 o   84.405   8.9110   53.240   8.1600   55.674   9.3746   45.629   16.576   90.097   7.6782   78.714   16.083 11.38255 17.82199 
1 1 1   -5   20   15 o  127.876   6.5770  109.003   9.6924  105.694   11.028  120.237   20.320  124.335   6.5451  131.417   11.410 -7.081963 13.15390 
1 1 1   -5   20   16 o   46.796   10.325   8.3100   6.9728   1.7625   7.9232   30.795   14.683   29.269   12.150   64.324   16.698 -35.05523 20.65039 
1 1 1   -5   20   17 o   56.528   9.9817   17.625   7.0767   10.831   8.1069   39.381   14.506   39.840   13.034   73.216   15.121 -33.37691 19.96333 
1 1 1   -5   20   18 o   67.325   9.2510   29.146   7.3675   24.747   8.5192   42.196   14.673   58.727   11.112   75.922   14.794 -17.19541 18.50197 
1 1 1   -5   20   19 o   43.872   10.071   13.817   6.7039   16.039   7.8272   7.6989   12.988   46.987   12.189   40.757   16.034 6.230118 20.14126 
1 1 1   -5   20   20 o   54.815   10.100   22.681   7.0601   23.967   8.2143   19.044   13.812   57.793   10.888   51.837   17.016 5.956150 20.20095 
1 1 1   -5   20   21 o   64.815   9.6285   34.974   7.4074   40.309   8.6420   20.202   14.381   76.487   8.3377   53.143   17.358 23.34397 19.25702 
1 1 1   -5   20   22 o   70.407   8.6730   32.443   7.2100   29.146   8.3273   42.318   14.410   64.863   9.4737   75.951   14.530 -11.08784 17.34600 
1 1 1   -5   20   23 o   67.377   8.5849   27.601   7.0624   21.224   8.2001   45.921   13.898   54.090   11.539   80.664   12.714 -26.57462 17.16980 
1 1 1   -5   20   24 o   68.554   9.0698   32.585   7.3167   31.187   8.5021   36.576   14.365   67.070   9.3544   70.039   15.541 -2.969635 18.13951 
1 1 1   -5   20   25 o   66.055   8.7760   24.436   7.0414   15.394   8.1009   52.381   14.241   45.925   12.625   86.185   12.193 -40.26056 17.55199 
1 1 1   -5   20   26 o   62.931   10.141   31.097   8.6194   38.466   10.981   19.273   13.911   74.099   10.936   51.763   17.081 22.33585 20.28164 
1 1 1   -5   20   27 o   78.088   9.0942   43.462   9.1854   41.924   11.738   45.891   14.754   77.246   11.213   78.931   14.321 -1.685318 18.18839 
1 1 1   -5   20   28 o  105.365   6.9787   79.115   8.7590   81.129   10.283   73.793   16.720  108.619   6.9860  102.112   12.083 6.506783 13.95730 
1 1 1   -5   20   29 o   85.324   7.6276   49.904   7.8155   48.492   9.0938   53.893   15.287   83.751   8.0127   86.897   12.982 -3.146729 15.25525 
1 1 1   -5   20   30 o   60.542   9.2264   32.134   7.1939   40.428   8.5897   12.648   13.165   76.385   8.2983   44.700   16.482 31.68431 18.45279 
1 1 1   -5   20   31 o   76.151   9.0423   47.677   7.6994   54.769   9.1658   30.678   14.191   89.032   7.5970   63.270   16.412 25.76290 18.08466 
1 1 1   -5   20   32 o   46.666   9.8339   12.152   6.5366   6.1925   7.7116   27.362   12.320   33.304   12.548   60.027   15.145 -26.72395 19.66782 
1 1 1   -5   20   33 o   49.523   9.7498   20.100   6.9698   24.399   8.1699   8.6055   13.359   57.939   10.803   41.107   16.234 16.83176 19.49953 
1 1 1   -5   20   34 o   66.627   9.2827   31.081   8.3812   31.081   8.3812   0.0000   0.0000   66.627   9.2827  ?   ?       ?      ? 
1 1 1   -5   20   35 o   52.921   15.886   21.381   12.304   21.381   12.304   0.0000   0.0000   52.921   15.886  ?   ?       ?      ? 
1 1 1   -5   20   36 o   45.146   9.9774   15.830   6.8044   18.692   7.9540   8.0204   13.140   50.118   11.891   40.174   16.025 9.943691 19.95482 
1 1 1   -5   20   37 o   56.602   9.3064   24.999   6.6545   26.956   7.8820   20.144   12.417   61.880   9.3994   51.323   16.065 10.55708 18.61273 
1 1 1   -5   20   38 o   49.229   9.2378   12.612   6.4482   4.2316   7.5662   34.851   12.326   30.686   12.186   67.771   13.887 -37.08526 18.47567 
1 1 1   -5   20   39 o   74.196   8.3765   38.424   7.3188   36.186   8.5231   44.708   14.281   71.762   8.7644   76.630   14.277 -4.868340 16.75294 
1 1 1   -5   20   40 o   56.301   9.9013   23.352   6.9569   21.933   8.1937   27.015   13.168   54.223   11.507   58.379   16.116 -4.156593 19.80261 
1 1 1   -5   20   41 o   37.686   9.9899   8.3495   6.3536   7.2503   7.4976   11.150   11.967   33.919   12.448   41.453   15.628 -7.534294 19.97983 
1 1 1   -5   20   42 o   51.043   8.6520   23.334   6.8646   32.462   8.1743   1.4944   12.644   67.754   8.9030   34.332   14.838 33.42178 17.30392 
1 1 1   -5   20   43 o   49.204   9.9483   18.292   6.5614   17.589   7.8186   19.966   12.065   48.100   12.027   50.308   15.850 -2.207329 19.89665 
1 1 1   -5   20   44 o   45.343   9.2467   8.4698   6.5090  -0.6552   7.6249   32.981   12.497   25.937   11.361   64.749   14.592 -38.81156 18.49339 
1 1 1   -5   20   45 o   40.592   10.439   7.5840   9.1241 -11.1130   13.856   21.897   12.123   28.997   13.656   52.187   15.792 -23.18921 20.87783 
1 1 1   -5   20   46 f   43.920   10.941   13.823   8.9457   2.1171   14.089   21.730   11.579   35.854   15.579   51.985   15.367 -16.13031 21.88250 
1 1 1   -5   20   47 o   51.412   11.625   21.705   9.1853   19.127   14.190   23.564   12.051   48.996   17.231   53.829   15.609 -4.833340 23.25034 
1 1 1   -5   20   48 o   41.228   10.874   8.4659   8.6046   21.944   13.749  -0.2120   11.032   51.584   16.979   30.872   13.591 20.71217 21.74848 
1 1 1   -5   20   49 o   52.802   10.669   22.410   7.9466   20.625   10.460   24.846   12.221   50.646   14.501   54.957   15.654 -4.311024 21.33832 
1 1 1   -5   20   50 o   73.867   8.7850   40.000   8.4603   32.767   10.829   51.329   13.553   64.987   12.752   82.747   12.086 -17.75983 17.56998 
1 1 1   -5   20   51 o   29.888   12.776   1.8611   9.1822   1.8611   9.1822   0.0000   0.0000   29.888   12.776  ?   ?       ?      ? 
1 1 1   -5   20   52 o   40.025   14.267   11.937   9.7592   11.937   9.7592   0.0000   0.0000   40.025   14.267  ?   ?       ?      ? 
1 1 1   -5   20   53 o   48.475   14.077   19.041   9.7941   19.041   9.7941   0.0000   0.0000   48.475   14.077  ?   ?       ?      ? 
1 1 1   -5   20   54 o   37.305   13.883   9.7914   9.3842   9.7914   9.3842   0.0000   0.0000   37.305   13.883  ?   ?       ?      ? 
1 1 1   -5   20   55 o   38.091   13.997   10.580   9.4831   10.580   9.4831   0.0000   0.0000   38.091   13.997  ?   ?       ?      ? 
1 1 1   -5   20   56 o   44.650   14.277   16.315   9.7616   16.315   9.7616   0.0000   0.0000   44.650   14.277  ?   ?       ?      ? 
1 1 1   -5   20   57 o   30.519   13.748  -1.3618   11.980  -1.3618   11.980   0.0000   0.0000   30.519   13.748  ?   ?       ?      ? 
1 1 1   -5   20   58 o   35.363   15.079   5.4891   12.733   5.4891   12.733   0.0000   0.0000   35.363   15.079  ?   ?       ?      ? 
1 1 1   -5   20   59 o   35.405   13.666   8.7253   9.2929   8.7253   9.2929   0.0000   0.0000   35.405   13.666  ?   ?       ?      ? 
1 1 1   -5   20   60 o   38.813   13.950   12.065   9.3485   12.065   9.3485   0.0000   0.0000   38.813   13.950  ?   ?       ?      ? 
1 1 1   -5   20   61 o   31.803   12.942   5.8234   8.7586   5.8234   8.7586   0.0000   0.0000   31.803   12.942  ?   ?       ?      ? 
1 1 1   -5   20   62 o   22.056   10.457  -7.1341   8.3843  -7.1341   8.3843   0.0000   0.0000   22.056   10.457  ?   ?       ?      ? 
1 1 1   -5   20   63 o   24.591   11.348  -3.4077   8.8179  -3.4077   8.8179   0.0000   0.0000   24.591   11.348  ?   ?       ?      ? 
1 1 1   -5   20   64 o   33.070   13.187   7.7613   8.8944   7.7613   8.8944   0.0000   0.0000   33.070   13.187  ?   ?       ?      ? 
1 1 1   -5   20   65 o   32.910   13.147   7.9151   8.8560   7.9151   8.8560   0.0000   0.0000   32.910   13.147  ?   ?       ?      ? 
1 1 1   -5   20   66 o   29.345   12.471   4.4563   8.6559   4.4563   8.6559   0.0000   0.0000   29.345   12.471  ?   ?       ?      ? 
1 1 1   -5   21    1 o   41.498   10.559   11.352   7.4996   14.600   8.5562   0.5842   15.579   44.816   13.198   38.181   16.486 6.634876 21.11833 
1 1 1   -5   21    2 o   24.851   8.3408  -9.3531   6.9055  -4.4978   7.7986 -26.9844   14.861   23.912   10.898   25.790   12.629 -1.877232 16.68159 
1 1 1   -5   21    3 o   48.487   11.522   10.983   9.2540   1.6511   11.240   30.617   16.304   33.703   14.261   63.272   18.101 -29.56890 23.04389 
1 1 1   -5   21    4 o   40.424   10.721   9.4889   7.9346   8.8169   11.738   10.054   10.767   40.241   15.404   40.606   14.915 -0.3644409 21.44144 
1 1 1   -5   21    5 o   47.303   15.487   15.928   11.445   0.0000   0.0000   15.928   11.445  ?   ?    47.303   15.487      ?      ? 
1 1 1   -5   21    6 o   31.449   14.653 -12.0011   15.253   0.0000   0.0000 -12.0011   15.253  ?   ?    31.449   14.653      ?      ? 
1 1 1   -5   21    7 o   42.885   10.748   12.058   7.8225   11.539   11.311   12.534   10.830   42.518   15.337   43.251   15.062 -0.7326012 21.49669 
1 1 1   -5   21    8 o   45.777   10.858   14.645   7.9169   14.586   11.816   14.694   10.664   45.983   15.748   45.570   14.951 0.4124985 21.71525 
1 1 1   -5   21    9 o   91.044   7.7003   58.074   9.3983   58.863   14.412   57.490   12.397   91.357   11.641   90.731   10.083 0.6255493 15.40061 
1 1 1   -5   21   10 o   90.779   7.8888   57.243   9.6173   63.241   14.856   52.917   12.618   94.694   11.577   86.864   10.720 7.830154 15.77753 
1 1 1   -5   21   11 o   41.605   10.648   8.5363   7.3680   4.3284   8.8149   18.292   13.422   32.773   13.108   50.437   16.784 -17.66357 21.29608 
1 1 1   -5   21   12 o   62.415   9.4317   33.157   6.9670   38.159   8.0501   18.233   13.906   74.306   7.9946   50.524   17.086 23.78196 18.86343 
1 1 1   -5   21   13 o   90.742   7.4809   58.847   7.7762   59.881   8.9401   55.632   15.761   93.272   7.0731   88.213   13.184 5.058937 14.96184 
1 1 1   -5   21   14 o   42.407   10.019   12.623   6.3008   13.645   7.2186   9.3564   12.912   43.203   11.935   41.612   16.096 1.590530 20.03798 
1 1 1   -5   21   15 o   49.754   10.181   16.549   6.4546   14.643   7.3955   22.646   13.224   44.668   11.974   54.840   16.470 -10.17120 20.36271 
1 1 1   -5   21   16 o   87.378   7.5561   52.314   7.6093   51.077   8.6806   56.416   15.811   86.031   7.4458   88.725   13.151 -2.693222 15.11213 
1 1 1   -5   21   17 o  101.322   6.9324   67.912   8.1146   64.534   9.2111   79.623   17.149   96.784   7.0230  105.860   11.954 -9.076050 13.86475 
1 1 1   -5   21   18 o   43.462   10.364   11.256   6.3237   9.1429   7.1909   18.467   13.283   36.613   12.286   50.311   16.695 -13.69815 20.72874 
1 1 1   -5   21   19 o   57.986   9.6261   25.850   6.8227   27.307   7.8781   21.477   13.646   62.531   9.2971   53.441   16.859 9.089497 19.25215 
1 1 1   -5   21   20 o   71.650   9.5462   38.590   8.5158   40.570   10.510   34.806   14.529   75.953   10.211   67.347   16.132 8.606232 19.09237 
1 1 1   -5   21   21 o   43.841   10.869   12.543   7.5937   10.993   9.2408   15.767   13.326   40.212   13.919   47.470   16.698 -7.258675 21.73847 
1 1 1   -5   21   22 o   66.588   9.0022   30.457   7.0669   28.239   8.1774   37.001   14.045   63.470   9.5075   69.705   15.289 -6.235065 18.00431 
1 1 1   -5   21   23 o   85.234   7.5746   51.592   7.5991   51.773   8.8207   51.070   14.966   86.456   7.5288   84.013   13.146 2.443085 15.14913 
1 1 1   -5   21   24 o  103.000   6.6186   67.495   8.2311   60.108   9.4627   90.461   16.685   93.135   7.4975  112.865   10.909 -19.72966 13.23724 
1 1 1   -5   21   25 o   64.999   9.2312   33.862   7.0715   37.226   8.3285   25.171   13.386   73.055   8.4127   56.943   16.434 16.11221 18.46239 
1 1 1   -5   21   26 o   32.182   9.3760   3.5404   6.0548   3.5880   7.1114   3.4149   11.544   29.448   11.775   34.916   14.594 -5.468409 18.75200 
1 1 1   -5   21   27 o   35.415   8.4313   7.0153   6.2122   15.562   7.3875 -13.6188   11.479   45.686   11.837   25.144   12.010 20.54171 16.86260 
1 1 1   -5   21   28 o   57.016   9.5894   26.126   6.9020   28.681   8.0552   19.070   13.387   63.810   9.3155   50.222   16.764 13.58822 19.17872 
1 1 1   -5   21   29 o   27.278   12.475  -5.3863   10.329  -5.3863   10.329   0.0000   0.0000   27.278   12.475  ?   ?       ?      ? 
1 1 1   -5   21   30 o   51.595   13.768   20.394   9.8054   20.394   9.8054   0.0000   0.0000   51.595   13.768  ?   ?       ?      ? 
1 1 1   -5   21   31 o   50.969   10.462   18.742   7.3596   15.273   9.0257   25.625   12.713   44.968   13.630   56.969   15.875 -12.00137 20.92393 
1 1 1   -5   21   32 o   66.805   9.2975   33.377   7.7856   33.189   9.5271   33.756   13.508   68.118   10.321   65.491   15.468 2.626099 18.59493 
1 1 1   -5   21   33 o   34.346   9.5252   5.5839   6.8983   10.504   8.5675  -3.4861   11.632   38.643   13.400   30.049   13.540 8.593779 19.05030 
1 1 1   -5   21   34 o   44.039   10.502   13.888   7.0948   12.503   8.6587   16.718   12.377   41.123   13.471   46.956   16.116 -5.833267 21.00488 
1 1 1   -5   21   35 o   36.230   10.021   7.4652   6.9120   8.5112   8.3773   5.2347   12.234   36.017   13.167   36.443   15.110 -0.4264374 20.04239 
1 1 1   -5   21   36 o   73.807   8.8647   39.339   8.1659   36.413   9.9052   45.548   14.428   71.106   10.280   76.508   14.445 -5.402885 17.72932 
1 1 1   -5   21   37 o   35.981   10.208   5.7481   6.9978   3.7832   8.3062   10.554   12.990   30.809   12.578   41.152   16.081 -10.34222 20.41580 
1 1 1   -5   21   38 o   60.344   9.6327   24.365   7.0541   18.883   8.1961   40.028   13.854   49.578   12.266   71.110   14.856 -21.53268 19.26535 
1 1 1   -5   21   39 o   83.799   8.2834   52.292   7.8574   52.395   9.1109   51.992   15.523   86.250   7.7951   81.349   14.618 4.901207 16.56674 
1 1 1   -5   21   40 o   60.773   10.717   29.947   8.6651   30.575   11.060   28.948   13.945   62.578   13.443   58.968   16.695 3.609554 21.43442 
1 1 1   -5   21   41 o   47.816   10.968   17.044   8.1232   11.899   10.408   25.061   12.992   40.606   14.703   55.026   16.281 -14.41984 21.93676 
1 1 1   -5   21   42 o   47.681   10.852   18.084   7.8616   17.380   10.165   19.132   12.402   46.746   14.520   48.617   16.132 -1.870499 21.70363 
1 1 1   -5   21   43 o   32.449   9.4774   3.2005   7.1955   8.8150   9.4276  -4.6343   11.137   36.645   13.858   28.253   12.933 8.391731 18.95486 
1 1 1   -5   21   44 o   28.218   8.9287  -2.0323   7.0103  -3.7515   9.5800  -0.0505   10.286   26.545   12.091   29.891   13.142 -3.346434 17.85749 
1 1 1   -5   21   45 o   49.730   10.163   20.324   7.6743   27.144   10.396   12.156   11.377   58.484   13.404   40.976   15.279 17.50800 20.32511 
1 1 1   -5   21   46 o   31.016   9.3789   1.9541   7.1448   5.4015   9.3160  -2.9699   11.134   32.999   13.377   29.032   13.149 3.966848 18.75775 
1 1 1   -5   21   47 o   44.978   14.353   16.266   9.8692   16.266   9.8692   0.0000   0.0000   44.978   14.353  ?   ?       ?      ? 
1 1 1   -5   21   48 o   46.460   14.389   17.584   9.9909   17.584   9.9909   0.0000   0.0000   46.460   14.389  ?   ?       ?      ? 
1 1 1   -5   21   49 o   39.067   14.069   11.455   9.5134   11.455   9.5134   0.0000   0.0000   39.067   14.069  ?   ?       ?      ? 
1 1 1   -5   21   50 o   44.776   16.318   16.370   12.851   16.370   12.851   0.0000   0.0000   44.776   16.318  ?   ?       ?      ? 
1 1 1   -5   21   51 o   30.143   13.647  -2.0736   11.977  -2.0736   11.977   0.0000   0.0000   30.143   13.647  ?   ?       ?      ? 
1 1 1   -5   21   52 o   49.591   16.619   21.776   13.156   21.776   13.156   0.0000   0.0000   49.591   16.619  ?   ?       ?      ? 
1 1 1   -5   21   53 o   24.297   11.214  -4.2751   8.6159  -4.2751   8.6159   0.0000   0.0000   24.297   11.214  ?   ?       ?      ? 
1 1 1   -5   21   54 o   33.371   13.202   7.0814   8.8504   7.0814   8.8504   0.0000   0.0000   33.371   13.202  ?   ?       ?      ? 
1 1 1   -5   21   55 f   33.572   13.322   7.3178   9.0366   7.3178   9.0366   0.0000   0.0000   33.572   13.322  ?   ?       ?      ? 
1 1 1   -5   21   56 o   29.199   12.470   2.9548   8.7332   2.9548   8.7332   0.0000   0.0000   29.199   12.470  ?   ?       ?      ? 
1 1 1   -5   21   57 o   39.361   13.736   13.051   9.0081   13.051   9.0081   0.0000   0.0000   39.361   13.736  ?   ?       ?      ? 
1 1 1   -5   21   58 o   47.945   13.680   20.223   9.3251   20.223   9.3251   0.0000   0.0000   47.945   13.680  ?   ?       ?      ? 
1 1 1   -5   21   59 o   50.057   13.815   22.395   9.6777   22.395   9.6777   0.0000   0.0000   50.057   13.815  ?   ?       ?      ? 
1 1 1   -5   21   60 o   31.453   12.895   6.4134   8.7770   6.4134   8.7770   0.0000   0.0000   31.453   12.895  ?   ?       ?      ? 
1 1 1   -5   21   61 o   34.553   13.237   9.8635   8.6729   9.8635   8.6729   0.0000   0.0000   34.553   13.237  ?   ?       ?      ? 
1 1 1   -5   22    1 o   74.009   8.7235   35.255   7.9925   29.568   9.2947   51.394   15.657   64.439   10.644   83.578   13.824 -19.13892 17.44707 
1 1 1   -5   22    2 o   56.363   10.614   21.368   7.5212   17.202   8.7360   33.297   14.785   47.765   13.102   64.960   16.702 -17.19532 21.22810 
1 1 1   -5   22    3 o   42.647   9.7875   11.588   6.6447   5.9925   8.5013   20.373   10.653   33.702   13.054   51.592   14.587 -17.89031 19.57499 
1 1 1   -5   22    4 o   76.720   7.9389   44.973   7.5279   56.123   10.058   30.770   11.351   89.641   8.2796   63.798   13.548 25.84341 15.87775 
1 1 1   -5   22    5 o   44.957   9.5719   15.429   6.6241   19.935   8.5840   8.7966   10.415   51.520   12.437   38.393   14.554 13.12779 19.14383 
1 1 1   -5   22    6 o   35.522   9.6769   6.9765   6.5026   7.4026   8.3794   6.3316   10.310   35.115   13.109   35.930   14.238 -0.8151550 19.35390 
1 1 1   -5   22    7 o   30.103   8.9798   1.7619   6.2645   3.8323   7.9704  -1.5840   10.132   30.813   12.414   29.393   12.978 1.419804 17.95960 
1 1 1   -5   22    8 o   31.452   9.1742   2.3857   6.2763  -0.3187   8.0850   6.4871   9.9564   27.209   11.812   35.696   14.041 -8.487104 18.34839 
1 1 1   -5   22    9 o   42.656   9.9454   12.644   6.6203   9.7985   8.5694   16.856   10.427   38.044   13.390   47.268   14.709 -9.223267 19.89085 
1 1 1   -5   22   10 o   62.900   8.7600   29.968   7.1520   33.398   9.3545   25.144   11.096   68.611   10.061   57.189   14.343 11.42210 17.51994 
1 1 1   -5   22   11 o   41.095   10.407   8.0404   6.4743   4.5093   7.3429   20.373   13.723   30.682   12.061   51.509   16.963 -20.82751 20.81387 
1 1 1   -5   22   12 o   70.434   10.833   35.488   10.340   35.488   10.340   0.0000   0.0000   70.434   10.833  ?   ?       ?      ? 
1 1 1   -5   22   13 o   67.419   11.215   32.661   10.246   32.661   10.246   0.0000   0.0000   67.419   11.215  ?   ?       ?      ? 
1 1 1   -5   22   14 o   53.655   10.688   23.523   8.1015   26.835   9.7213   15.995   14.657   59.799   12.403   47.510   17.410 12.28838 21.37613 
1 1 1   -5   22   15 o   35.993   10.177   6.3963   7.3975   8.8998   8.8526   0.6025   13.467   37.085   13.539   34.901   15.198 2.184566 20.35415 
1 1 1   -5   22   16 o   41.477   10.377   10.065   6.2252   8.1182   7.0075   17.354   13.559   34.695   12.114   48.259   16.851 -13.56470 20.75339 
1 1 1   -5   22   17 o   39.433   9.8176   10.941   6.0570   12.175   6.8459   6.4942   12.997   40.455   11.775   38.411   15.713 2.043816 19.63530 
1 1 1   -5   22   18 o   28.651   8.4544   1.6353   5.7207   6.0891   6.5052 -13.5616   12.016   31.509   11.590   25.794   12.311 5.714529 16.90879 
1 1 1   -5   22   19 o   35.839   9.8296   6.9769   5.9476   6.7498   6.7270   7.7903   12.730   32.575   11.816   39.102   15.712 -6.526989 19.65916 
1 1 1   -5   22   20 o   35.427   9.3040   8.0509   6.0948   11.355   6.9233  -3.3294   12.848   39.158   11.953   31.696   14.261 7.461796 18.60805 
1 1 1   -5   22   21 o   53.939   9.8792   18.688   6.4371   14.659   7.3202   32.429   13.519   44.041   11.958   63.836   15.729 -19.79570 19.75848 
1 1 1   -5   22   22 o   38.849   10.139   7.7835   6.2430   5.0594   7.1523   16.500   12.794   30.871   11.969   46.828   16.368 -15.95686 20.27729 
1 1 1   -5   22   23 o   54.693   13.214   23.070   9.6843   23.070   9.6843   0.0000   0.0000   54.693   13.214  ?   ?       ?      ? 
1 1 1   -5   22   24 o   70.403   14.962   39.004   13.835   39.004   13.835   0.0000   0.0000   70.403   14.962  ?   ?       ?      ? 
1 1 1   -5   22   25 f   64.997   9.6305   35.181   7.3508   38.393   8.5463   26.048   14.411   73.680   8.5594   56.314   17.255 17.36668 19.26103 
1 1 1   -5   22   26 o   38.019   9.5694   10.397   6.3517   13.502   7.2998   0.7193   12.887   42.161   12.127   33.877   14.807 8.283775 19.13889 
1 1 1   -5   22   27 f   31.223   9.4118   2.5919   6.2206   3.0758   7.1195   1.0305   12.789   28.532   11.646   33.915   14.789 -5.383139 18.82359 
1 1 1   -5   22   28 o   41.255   10.303   11.106   6.4172   9.4195   7.3958   16.244   12.908   36.342   12.459   46.168   16.414 -9.825981 20.60666 
1 1 1   -5   22   29 o   36.918   9.9757   7.4569   6.2385   5.7160   7.2356   12.500   12.315   31.533   12.088   42.302   15.872 -10.76910 19.95138 
1 1 1   -5   22   30 o   27.682   8.8058  -1.5630   6.0607  -1.4015   6.9865  -2.0543   12.183   24.154   10.715   31.210   13.977 -7.056290 17.61161 
1 1 1   -5   22   31 o   44.737   10.204   14.535   6.4906   12.950   7.6312   18.680   12.342   41.161   12.546   48.312   16.095 -7.150616 20.40721 
1 1 1   -5   22   32 o   38.190   9.8062   7.0698   6.0428   3.1614   6.9989   18.516   11.977   28.328   11.553   48.053   15.849 -19.72532 19.61242 
1 1 1   -5   22   33 o   39.637   9.7783   11.776   6.2646   13.263   7.3035   7.6337   12.187   41.542   12.183   37.733   15.299 3.808365 19.55658 
1 1 1   -5   22   34 o   45.395   10.148   15.929   6.5308   15.790   7.6354   16.311   12.606   45.113   12.197   45.678   16.222 -0.5650826 20.29609 
1 1 1   -5   22   35 o   32.933   9.5554   3.6692   7.3226   9.5202   9.3504  -5.6101   11.775   37.314   13.864   28.552   13.153 8.761784 19.11074 
1 1 1   -5   22   36 o   47.997   10.627   18.440   7.5425   17.593   9.6125   19.797   12.167   46.907   14.032   49.086   15.963 -2.179676 21.25390 
1 1 1   -5   22   37 o   33.694   9.9244   3.9262   7.3053   1.3439   9.1985   8.3368   12.022   29.467   12.696   37.921   15.257 -8.453949 19.84875 
1 1 1   -5   22   38 o   41.130   10.300   9.7628   7.4624   2.5016   9.3628   22.409   12.356   30.547   12.976   51.713   15.999 -21.16565 20.59973 
1 1 1   -5   22   39 o   44.092   11.424   15.043   9.0840   10.955   13.422   18.498   12.339   40.775   16.218   47.409   16.094 -6.634251 22.84804 
1 1 1   -5   22   40 o   43.918   11.552   14.961   9.1814   14.548   13.436   15.324   12.576   43.683   16.537   44.153   16.134 -0.4703064 23.10416 
1 1 1   -5   22   41 o   33.123   9.8160  -0.4117   8.1499   12.925   12.126 -11.3996   11.007   41.637   15.723   24.608   11.756 17.02834 19.63209 
1 1 1   -5   22   42 o   39.670   15.596   10.782   12.279   10.782   12.279   0.0000   0.0000   39.670   15.596  ?   ?       ?      ? 
1 1 1   -5   22   43 o   41.324   15.602   12.955   11.938   12.955   11.938   0.0000   0.0000   41.324   15.602  ?   ?       ?      ? 
1 1 1   -5   22   44 o   50.515   13.609   20.969   9.5254   20.969   9.5254   0.0000   0.0000   50.515   13.609  ?   ?       ?      ? 
1 1 1   -5   22   45 o   24.059   11.123  -4.6077   8.5296  -4.6077   8.5296   0.0000   0.0000   24.059   11.123  ?   ?       ?      ? 
1 1 1   -5   22   46 o   43.284   13.697   15.453   9.0026   15.453   9.0026   0.0000   0.0000   43.284   13.697  ?   ?       ?      ? 
1 1 1   -5   22   47 f   23.646   10.981  -4.8903   8.4531  -4.8903   8.4531   0.0000   0.0000   23.646   10.981  ?   ?       ?      ? 
1 1 1   -5   22   48 o   27.516   12.058   0.7585   8.5969   0.7585   8.5969   0.0000   0.0000   27.516   12.058  ?   ?       ?      ? 
1 1 1   -5   22   49 o   45.031   13.967   17.375   9.4093   17.375   9.4093   0.0000   0.0000   45.031   13.967  ?   ?       ?      ? 
1 1 1   -5   22   50 o   37.651   13.477   11.450   8.7171   11.450   8.7171   0.0000   0.0000   37.651   13.477  ?   ?       ?      ? 
1 1 1   -5   22   51 o   25.497   11.458  -0.9636   8.2629  -0.9636   8.2629   0.0000   0.0000   25.497   11.458  ?   ?       ?      ? 
1 1 1   -5   22   52 o   30.598   12.550   5.3747   8.3177   5.3747   8.3177   0.0000   0.0000   30.598   12.550  ?   ?       ?      ? 
1 1 1   -5   22   53 o   35.868   13.331   10.483   8.6471   10.483   8.6471   0.0000   0.0000   35.868   13.331  ?   ?       ?      ? 
1 1 1   -5   22   54 o   39.658   13.492   13.914   8.6726   13.914   8.6726   0.0000   0.0000   39.658   13.492  ?   ?       ?      ? 
1 1 1   -5   22   55 o   30.174   12.489   5.5410   8.3353   5.5410   8.3353   0.0000   0.0000   30.174   12.489  ?   ?       ?      ? 
1 1 1   -5   22   56 o   45.610   13.464   19.184   8.8946   19.184   8.8946   0.0000   0.0000   45.610   13.464  ?   ?       ?      ? 
1 1 1   -5   23    1 o   61.117   8.7451   28.576   6.9514   30.060   8.9711   26.346   10.997   64.479   10.267   57.755   14.160 6.724098 17.49021 
1 1 1   -5   23    2 o   34.418   9.4787   6.3817   6.2188   4.8580   7.8978   8.8680   10.088   31.344   12.449   37.491   14.297 -6.146296 18.95737 
1 1 1   -5   23    3 o   32.021   9.2084   2.8134   6.2368  -1.0752   7.8683   9.3864   10.230   25.932   11.444   38.111   14.430 -12.17909 18.41671 
1 1 1   -5   23    4 o   35.880   10.294   6.1817   7.8595   3.2359   12.035   8.3724   10.378   34.535   14.691   37.226   14.422 -2.690563 20.58717 
1 1 1   -5   23    5 o   62.863   10.141   29.649   8.4412   42.780   13.476   21.170   10.829   74.181   13.917   51.546   14.754 22.63500 20.28171 
1 1 1   -5   23    6 o   49.030   10.416   17.103   7.9135   29.757   12.386   8.3750   10.287   60.913   15.085   37.146   14.367 23.76720 20.83190 
1 1 1   -5   23    7 o   27.188   8.8158  -4.9930   7.3237  -6.4326   11.140  -3.8973   9.7190   27.505   12.714   26.871   12.215 0.6346779 17.63164 
1 1 1   -5   23    8 o   38.623   9.2450   7.0324   6.4223  -1.3945   8.1631   20.722   10.404   26.149   11.592   51.097   14.405 -24.94808 18.49007 
1 1 1   -5   23    9 o   48.417   9.6529   18.624   6.5934   20.163   8.4623   16.246   10.518   51.168   12.346   45.665   14.842 5.502716 19.30573 
1 1 1   -5   23   10 o   54.477   9.5063   26.135   6.6961   29.710   7.6031   13.776   14.137   64.655   8.6778   44.299   16.917 20.35579 19.01269 
1 1 1   -5   23   11 o   65.659   9.2285   31.711   6.6839   30.756   7.5265   35.274   14.538   65.859   8.4332   65.459   16.418 0.4004059 18.45693 
1 1 1   -5   23   12 o   42.830   10.306   11.716   6.0415   9.8187   6.7559   19.289   13.498   36.554   11.896   49.106   16.832 -12.55208 20.61118 
1 1 1   -5   23   13 o   49.869   9.8510   19.735   6.1423   20.259   6.8653   17.634   13.751   52.217   10.067   47.521   16.936 4.696098 19.70193 
1 1 1   -5   23   14 o   36.975   9.6831   9.2463   5.8249   10.196   6.5120   5.4456   13.029   37.015   11.642   36.934   15.476 0.8087158E-01 19.36614 
1 1 1   -5   23   15 o   39.585   9.5795   12.094   6.0635   14.345   6.7911   3.2455   13.464   43.356   11.405   35.813   15.394 7.542896 19.15910 
1 1 1   -5   23   16 o   27.142   11.062   2.8141   6.4122   2.8141   6.4122   0.0000   0.0000   27.142   11.062  ?   ?       ?      ? 
1 1 1   -5   23   17 o   48.005   12.910   18.010   8.5814   18.010   8.5814   0.0000   0.0000   48.005   12.910  ?   ?       ?      ? 
1 1 1   -5   23   18 o   27.702   12.632  -4.1781   10.493  -4.1781   10.493   0.0000   0.0000   27.702   12.632  ?   ?       ?      ? 
1 1 1   -5   23   19 f   48.786   13.749   18.875   9.4793   18.875   9.4793   0.0000   0.0000   48.786   13.749  ?   ?       ?      ? 
1 1 1   -5   23   20 o   44.310   13.695   15.383   9.0563   15.383   9.0563   0.0000   0.0000   44.310   13.695  ?   ?       ?      ? 
1 1 1   -5   23   21 o   35.550   9.8436   7.2615   5.9882   7.1319   6.7393   7.7476   13.052   32.674   11.831   38.427   15.736 -5.752113 19.68713 
1 1 1   -5   23   22 o   37.269   9.7586   9.5985   6.0676   10.595   6.8969   6.1854   12.762   37.554   12.000   36.985   15.392 0.5687485 19.51716 
1 1 1   -5   23   23 o   32.969   8.6585   6.3756   5.9833   11.831   6.7966 -12.4136   12.614   39.350   11.806   26.588   12.669 12.76242 17.31699 
1 1 1   -5   23   24 o   39.502   9.9048   11.653   6.3279   12.950   7.2599   7.5531   12.909   40.965   12.181   38.039   15.622 2.925575 19.80966 
1 1 1   -5   23   25 o   34.134   9.3887   7.1239   6.2068   9.8487   7.1064  -1.6401   12.745   36.479   12.214   31.790   14.262 4.689127 18.77732 
1 1 1   -5   23   26 o   28.803   9.0037  -3.1501   5.8526  -6.2786   6.6478   7.6293   12.340   20.032   9.4416   37.573   15.334 -17.54096 18.00735 
1 1 1   -5   23   27 o   28.838   8.9508   0.6920   5.9818   0.8703   6.9142   0.1613   11.927   25.802   11.060   31.874   14.077 -6.071859 17.90164 
1 1 1   -5   23   28 o   36.281   9.8300   8.3711   6.1432   8.2764   7.0797   8.6596   12.359   34.256   12.158   38.306   15.450 -4.049328 19.65999 
1 1 1   -5   23   29 o   65.377   10.176   30.979   8.5181   21.539   10.358   50.700   14.971   51.345   14.337   79.409   14.444 -28.06483 20.35200 
1 1 1   -5   23   30 o   40.711   10.691   11.870   7.5268   10.818   9.2153   13.977   13.046   38.377   13.844   43.044   16.296 -4.667309 21.38217 
1 1 1   -5   23   31 o   36.779   9.2957   7.6745   7.3455   17.705   9.1374 -10.6487   12.350   46.826   13.596   26.733   12.680 20.09331 18.59138 
1 1 1   -5   23   32 o   38.579   10.414   10.510   7.5488   12.377   9.3240   6.9599   12.861   40.083   13.975   37.075   15.442 3.007431 20.82712 
1 1 1   -5   23   33 o   36.549   10.213   7.4815   7.1992   4.6475   8.8926   12.872   12.264   31.624   12.974   41.474   15.776 -9.849928 20.42552 
1 1 1   -5   23   34 o   39.344   10.247   11.692   7.2150   13.480   9.0563   8.5847   11.937   41.199   13.789   37.489   15.162 3.709938 20.49386 
1 1 1   -5   23   35 o   38.770   10.310   9.8591   7.1900   6.2262   8.9869   16.320   11.985   33.066   13.231   44.474   15.815 -11.40788 20.62008 
1 1 1   -5   23   36 o   32.377   9.6466   3.4604   6.9114   0.9868   8.5300   8.1877   11.792   27.903   12.123   36.850   15.008 -8.946667 19.29314 
1 1 1   -5   23   37 o   29.145   12.347   2.7140   8.4404   2.7140   8.4404   0.0000   0.0000   29.145   12.347  ?   ?       ?      ? 
1 1 1   -5   23   38 o   42.286   13.752   14.699   9.0289   14.699   9.0289   0.0000   0.0000   42.286   13.752  ?   ?       ?      ? 
1 1 1   -5   23   39 o   24.613   11.235  -2.9877   8.3310  -2.9877   8.3310   0.0000   0.0000   24.613   11.235  ?   ?       ?      ? 
1 1 1   -5   23   40 o   34.387   13.278   8.1730   8.7747   8.1730   8.7747   0.0000   0.0000   34.387   13.278  ?   ?       ?      ? 
1 1 1   -5   23   41 o   23.605   10.867  -3.6262   8.0170  -3.6262   8.0170   0.0000   0.0000   23.605   10.867  ?   ?       ?      ? 
1 1 1   -5   23   42 o   26.651   11.740   0.4378   8.2425   0.4378   8.2425   0.0000   0.0000   26.651   11.740  ?   ?       ?      ? 
1 1 1   -5   23   43 o   35.216   13.255   9.4110   8.6015   9.4110   8.6015   0.0000   0.0000   35.216   13.255  ?   ?       ?      ? 
1 1 1   -5   23   44 o   36.027   13.343   10.271   8.6472   10.271   8.6472   0.0000   0.0000   36.027   13.343  ?   ?       ?      ? 
1 1 1   -5   23   45 o   26.727   11.722   1.1091   8.1401   1.1091   8.1401   0.0000   0.0000   26.727   11.722  ?   ?       ?      ? 
1 1 1   -5   23   46 o   26.922   11.827   1.2484   8.3171   1.2484   8.3171   0.0000   0.0000   26.922   11.827  ?   ?       ?      ? 
1 1 1   -5   23   47 o   26.136   11.648   0.3090   8.3530   0.3090   8.3530   0.0000   0.0000   26.136   11.648  ?   ?       ?      ? 
1 1 1   -5   23   48 o   53.726   13.263   25.599   9.5983   25.599   9.5983   0.0000   0.0000   53.726   13.263  ?   ?       ?      ? 
1 1 1   -5   23   49 o   30.934   12.630   6.4569   8.3771   6.4569   8.3771   0.0000   0.0000   30.934   12.630  ?   ?       ?      ? 
1 1 1   -5   24    1 o   51.267   10.411   21.114   7.6530   26.769   11.591   16.743   10.190   56.986   14.857   45.549   14.590 11.43629 20.82254 
1 1 1   -5   24    2 o   37.902   9.7947   8.6814   7.4014  -1.6665   10.986   17.283   10.016   29.578   13.257   46.225   14.422 -16.64668 19.58943 
1 1 1   -5   24    3 o   44.897   8.5085   16.196   6.4452   26.907   8.4249   1.0814   10.008   59.599   10.830   30.196   13.125 29.40296 17.01694 
1 1 1   -5   24    4 o   33.455   8.9849   6.5335   6.0364   11.116   7.8158  -0.2407   9.5030   38.303   12.810   28.606   12.603 9.697651 17.96970 
1 1 1   -5   24    5 o   23.783   7.7122  -4.8233   5.8251  -0.3223   7.4637 -11.8373   9.3172   25.605   11.228   21.962   10.576 3.643257 15.42436 
1 1 1   -5   24    6 o   52.311   9.2270   19.935   6.6446   12.130   8.3968   33.008   10.868   39.749   13.277   64.874   12.817 -25.12455 18.45391 
1 1 1   -5   24    7 o   44.484   9.0580   16.144   6.5492   23.802   8.4928   4.9086   10.287   55.507   11.661   33.462   13.864 22.04477 18.11595 
1 1 1   -5   24    8 o   56.734   11.124   20.893   7.6582   15.298   8.5914   42.533   16.896   43.889   13.297   69.579   17.836 -25.69035 22.24733 
1 1 1   -5   24    9 o   34.267   12.798   7.8272   7.9884   7.8272   7.9884   0.0000   0.0000   34.267   12.798  ?   ?       ?      ? 
1 1 1   -5   24   10 o   29.480   11.353   5.0327   6.4015   5.0327   6.4015   0.0000   0.0000   29.480   11.353  ?   ?       ?      ? 
1 1 1   -5   24   11 o   45.657   11.553   16.800   8.9816   16.864   11.678   16.708   14.054   45.569   15.654   45.745   16.997 -0.1758728 23.10687 
1 1 1   -5   24   12 o   35.396   9.8831   4.1149   8.2716   15.392   10.789 -11.9649   12.883   43.885   15.048   26.907   12.816 16.97827 19.76620 
1 1 1   -5   24   13 o   29.758   9.0558   2.5606   5.7273   3.4657   6.4125  -1.0087   12.734   27.621   11.133   31.895   14.286 -4.274837 18.11169 
1 1 1   -5   24   14 o   37.216   9.9465   7.4311   5.8718   5.1043   6.6264   15.936   12.669   29.772   11.527   44.659   16.213 -14.88727 19.89301 
1 1 1   -5   24   15 o   23.679   7.9123  -5.1596   5.4893  -4.1815   6.1777  -8.8292   11.966   20.364   9.4325   26.995   12.706 -6.631092 15.82465 
1 1 1   -5   24   16 f   40.538   9.7779   8.1964   5.8847   3.5703   6.6917   23.982   12.361   28.060   11.350   53.016   15.925 -24.95639 19.55571 
1 1 1   -5   24   17 o   50.021   9.9558   17.498   6.1756   14.402   7.0208   28.085   12.983   42.864   11.741   57.178   16.082 -14.31374 19.91152 
1 1 1   -5   24   18 o   32.526   9.3283   5.6196   5.9397   6.3137   6.8910   3.6133   11.715   31.426   11.856   33.627   14.405 -2.200403 18.65654 
1 1 1   -5   24   19 o   39.558   9.6644   12.413   6.1797   14.178   7.1154   6.9969   12.467   42.433   11.895   36.682   15.235 5.750751 19.32880 
1 1 1   -5   24   20 o   27.562   8.6623  -0.2984   5.7094  -0.7753   6.6133   1.0974   11.314   23.697   10.473   31.427   13.801 -7.729858 17.32457 
1 1 1   -5   24   21 o   40.312   9.5869   13.225   6.1236   15.102   7.0638   7.5499   12.285   43.771   11.689   36.852   15.199 6.918922 19.17377 
1 1 1   -5   24   22 o   35.997   9.4538   9.4236   6.1910   11.838   7.2302   2.7893   11.986   38.860   12.273   33.134   14.383 5.726425 18.90767 
1 1 1   -5   24   23 o   40.958   10.240   13.510   7.2196   16.009   8.8948   8.6840   12.360   44.264   13.555   37.652   15.354 6.612144 20.48089 
1 1 1   -5   24   24 o   40.129   9.7452   6.6947   7.1300  -3.2216   8.7468   26.334   12.309   25.236   11.517   55.022   15.723 -29.78554 19.49032 
1 1 1   -5   24   25 o   49.021   10.535   19.069   7.4162   14.727   9.2059   27.096   12.517   42.432   13.890   55.611   15.843 -13.17868 21.06991 
1 1 1   -5   24   26 o   51.571   10.646   20.683   7.5726   15.606   9.1714   31.557   13.423   43.455   13.833   59.687   16.187 -16.23193 21.29240 
1 1 1   -5   24   27 o   44.690   13.757   16.642   9.1485   16.642   9.1485   0.0000   0.0000   44.690   13.757  ?   ?       ?      ? 
1 1 1   -5   24   28 o   26.593   11.822  -0.5225   8.5468  -0.5225   8.5468   0.0000   0.0000   26.593   11.822  ?   ?       ?      ? 
1 1 1   -5   24   29 o   35.245   9.9838   8.1103   7.1381   9.2136   8.8611   6.0711   12.047   35.581   13.440   34.908   14.767 0.6725006 19.96763 
1 1 1   -5   24   30 o   35.774   10.382   5.9742   8.5810   14.885   12.227  -2.6738   12.045   42.153   15.816   29.395   13.453 12.75821 20.76367 
1 1 1   -5   24   31 o   31.083   9.4194   1.3948   6.8742  -3.0854   8.4754   10.008   11.752   24.621   11.274   37.545   15.093 -12.92401 18.83883 
1 1 1   -5   24   32 o   31.263   12.758   5.4459   8.5425   5.4459   8.5425   0.0000   0.0000   31.263   12.758  ?   ?       ?      ? 
1 1 1   -5   24   33 f   39.870   13.497   13.298   8.6783   13.298   8.6783   0.0000   0.0000   39.870   13.497  ?   ?       ?      ? 
1 1 1   -5   24   34 o   29.114   12.262   3.6097   8.2476   3.6097   8.2476   0.0000   0.0000   29.114   12.262  ?   ?       ?      ? 
1 1 1   -5   24   35 o   41.553   13.510   14.872   8.7142   14.872   8.7142   0.0000   0.0000   41.553   13.510  ?   ?       ?      ? 
1 1 1   -5   24   36 o   51.787   13.084   23.035   9.1855   23.035   9.1855   0.0000   0.0000   51.787   13.084  ?   ?       ?      ? 
1 1 1   -5   24   37 o   46.982   13.827   19.689   9.3940   19.689   9.3940   0.0000   0.0000   46.982   13.827  ?   ?       ?      ? 
1 1 1   -5   24   38 o   31.028   12.751   5.8804   8.6073   5.8804   8.6073   0.0000   0.0000   31.028   12.751  ?   ?       ?      ? 
1 1 1   -5   24   39 o   55.445   13.131   26.893   9.7140   26.893   9.7140   0.0000   0.0000   55.445   13.131  ?   ?       ?      ? 
1 1 1   -5   24   40 o   31.938   12.894   7.1717   8.6171   7.1717   8.6171   0.0000   0.0000   31.938   12.894  ?   ?       ?      ? 
1 1 1   -5   24   41 f   39.553   13.497   14.235   8.6793   14.235   8.6793   0.0000   0.0000   39.553   13.497  ?   ?       ?      ? 
1 1 1   -5   24   42 o   42.375   13.756   16.873   9.0359   16.873   9.0359   0.0000   0.0000   42.375   13.756  ?   ?       ?      ? 
1 1 1   -5   25    1 o   31.896   10.108  -0.0738   8.8693  -3.0736   11.498   4.3331   13.936   28.639   13.121   35.153   15.380 -6.513680 20.21645 
1 1 1   -5   25    2 o   29.604   9.3102  -0.4955   7.4372   4.2725   11.547  -3.8758   9.7223   33.209   14.265   25.998   11.968 7.211123 18.62034 
1 1 1   -5   25    3 o   35.041   10.193   6.5358   7.6732   11.205   12.210   3.4883   9.8644   39.003   15.482   31.079   13.263 7.923470 20.38655 
1 1 1   -5   25    4 o   43.631   11.209   14.163   9.1873   4.3916   12.316   26.423   13.795   33.930   14.654   53.332   16.964 -19.40147 22.41713 
1 1 1   -5   25    5 o   24.926   8.2704  -7.4545   6.9982  -2.2225   10.692 -11.3754   9.2562   28.165   12.807   21.686   10.468 6.479826 16.54087 
1 1 1   -5   25    6 f   38.548   10.277   11.535   7.4088   8.3307   11.731   13.660   9.5555   36.369   14.909   40.727   14.150 -4.357616 20.55495 
1 1 1   -5   25    7 o   31.754   9.4247   3.7781   7.2089  -3.3403   11.248   8.7409   9.3914   28.183   12.936   35.326   13.710 -7.142836 18.84933 
1 1 1   -5   25    8 o   35.506   10.433   6.7249   8.3455   2.8610   11.370   11.237   12.288   32.026   13.955   38.985   15.514 -6.959320 20.86681 
1 1 1   -5   25    9 o   33.348   9.7886   2.8562   6.9894  -2.2600   8.4215   14.181   12.529   25.126   11.403   41.570   15.914 -16.44364 19.57721 
1 1 1   -5   25   10 o   31.089   9.4610   0.3366   6.8888  -4.5527   8.3326   10.895   12.245   23.561   10.928   38.616   15.447 -15.05481 18.92199 
1 1 1   -5   25   11 o   47.211   10.619   19.308   7.4156   18.816   9.1088   20.275   12.770   47.160   13.541   47.263   16.362 -0.1029892 21.23844 
1 1 1   -5   25   12 o   60.867   10.300   29.922   7.9733   25.551   9.6602   39.264   14.123   55.445   13.070   66.289   15.921 -10.84444 20.59900 
1 1 1   -5   25   13 o   61.472   10.004   32.396   7.9660   33.361   9.7493   30.458   13.817   65.838   10.927   57.105   16.759 8.732925 20.00709 
1 1 1   -5   25   14 o   29.498   9.1816   0.7624   6.8300  -1.5531   8.5084   4.9582   11.453   25.631   11.562   33.365   14.266 -7.734167 18.36313 
1 1 1   -5   25   15 o   37.340   10.267   10.093   7.2149   8.4535   9.0114   13.021   12.042   34.574   13.427   40.105   15.536 -5.530865 20.53360 
1 1 1   -5   25   16 o   45.481   11.494   18.152   9.1919   25.405   13.542   11.956   12.517   51.710   16.843   39.251   15.646 12.45863 22.98834 
1 1 1   -5   25   17 o   39.758   10.975   12.048   8.9929   4.6683   13.064   18.694   12.398   34.221   14.934   45.295   16.088 -11.07345 21.95057 
1 1 1   -5   25   18 o   44.600   11.615   18.168   9.3863   14.433   13.659   21.510   12.920   41.368   16.390   47.832   16.463 -6.463829 23.23094 
1 1 1   -5   25   19 o   27.314   9.0111  -5.8745   8.3483 -11.8036   12.354  -0.8916   11.325   25.402   12.219   29.227   13.248 -3.824850 18.02222 
1 1 1   -5   25   20 o   36.250   10.511   6.0219   8.7240   18.207   13.301  -3.1777   11.557   44.320   16.522   28.180   13.000 16.13970 21.02281 
1 1 1   -5   25   21 o   68.580   11.365   43.203   10.353   45.972   15.291   40.859   14.069   70.345   16.351   66.814   15.789 3.530579 22.72979 
1 1 1   -5   25   22 o   48.898   12.020   23.611   9.7311   23.652   14.594   23.577   13.058   48.535   17.431   49.261   16.557 -0.7258263 24.04088 
1 1 1   -5   25   23 o   28.366   9.1488  -2.9912   8.1628 -12.0354   12.339   4.0476   10.885   25.091   12.105   31.642   13.721 -6.550648 18.29754 
1 1 1   -5   25   24 o   54.423   11.950   29.229   9.7766   34.562   14.470   24.750   13.261   58.916   17.111   49.930   16.685 8.985893 23.89950 
1 1 1   -5   25   25 o   56.153   17.418   32.324   14.633   32.324   14.633   0.0000   0.0000   56.153   17.418  ?   ?       ?      ? 
1 1 1   -5   25   26 o   42.243   16.591   17.084   13.882   17.084   13.882   0.0000   0.0000   42.243   16.591  ?   ?       ?      ? 
1 1 1   -5   25   27 o   39.062   16.043   13.258   13.615   13.258   13.615   0.0000   0.0000   39.062   16.043  ?   ?       ?      ? 
1 1 1   -5   25   28 o   44.025   16.938   19.933   14.238   19.933   14.238   0.0000   0.0000   44.025   16.938  ?   ?       ?      ? 
1 1 1   -5   25   29 f   47.898   17.186   24.668   14.182   24.668   14.182   0.0000   0.0000   47.898   17.186  ?   ?       ?      ? 
1 1 1   -5   25   30 o   34.862   14.997   8.4981   12.795   8.4981   12.795   0.0000   0.0000   34.862   14.997  ?   ?       ?      ? 
1 1 1   -5   25   31 o   30.747   13.998   1.8280   12.820   1.8280   12.820   0.0000   0.0000   30.747   13.998  ?   ?       ?      ? 
1 1 1   -5   26    1 o   34.041   10.419   6.0550   8.9770  -0.1282   12.077   13.689   13.420   29.344   13.445   38.738   15.920 -9.394976 20.83805 
1 1 1   -5   26    2 o   47.176   11.720   23.146   9.5533   16.836   13.316   29.838   13.713   41.207   16.228   53.144   16.915 -11.93718 23.44057 
1 1 1   -5   26    3 o   32.158   10.048   4.2545   8.7624   8.4262   12.022  -0.4726   12.798   34.546   14.690   29.770   13.714 4.776400 20.09612 
1 1 1   -5   26    4 o   29.219   9.4504  -0.2709   8.4220  -3.0733   11.814   2.6254   12.010   27.639   12.884   30.800   13.829 -3.160925 18.90088 
1 1 1   -5   26    5 o   42.333   10.410   13.587   9.2396   32.607   13.049  -5.5377   13.085   56.930   16.161   27.737   13.126 29.19386 20.81989 
1 1 1   -5   26    6 o   37.977   11.065   12.575   9.2696   9.2801   12.987   15.996   13.234   35.480   15.182   40.474   16.102 -4.994411 22.13065 
1 1 1   -5   26    7 o   23.533   11.421 -11.9323   11.402   0.0000   0.0000 -11.9323   11.402  ?   ?    23.533   11.421      ?      ? 
1 1 1   -5   26    8 o   32.732   14.151   6.3391   11.508   0.0000   0.0000   6.3391   11.508  ?   ?    32.732   14.151      ?      ? 
1 1 1   -5   26    9 o   45.510   16.168   21.509   12.523   0.0000   0.0000   21.509   12.523  ?   ?    45.510   16.168      ?      ? 
1 1 1   -5   26   10 o   28.314   12.940  -0.1791   11.091   0.0000   0.0000  -0.1791   11.091  ?   ?    28.314   12.940      ?      ? 
1 1 1   -5   26   11 o   31.322   13.775   4.6150   11.307   0.0000   0.0000   4.6150   11.307  ?   ?    31.322   13.775      ?      ? 
1 1 1   -5   26   12 o   28.604   13.098  -0.0648   11.439   0.0000   0.0000  -0.0648   11.439  ?   ?    28.604   13.098      ?      ? 
1 1 1   -5   26   13 o   25.547   12.045  -4.9275   10.833   0.0000   0.0000  -4.9275   10.833  ?   ?    25.547   12.045      ?      ? 
1 1 1   -4    0    1 o   67.436   4.7952   31.740   4.2804   31.514   6.0331   31.969   6.0738   67.186   6.7852   67.686   6.7778 -0.000000 0.000000 
1 1 1   -4    0    2 o  2123.40   32.954 30735.29  946.961 30118.15  1320.43 31388.82  1358.80  2101.49   46.418  2145.31   46.789 -0.000000 0.000000 
1 1 1   -4    0    3 o   69.290   4.8450   33.477   4.4472   33.815   6.3136   33.145   6.2651   69.650   6.8406   68.930   6.8632 -0.000000 0.000000 
1 1 1   -4    0    4 o  650.419   10.876  2872.30   95.735  2912.27  136.532  2833.64  134.276  654.875   15.404  645.964   15.359 -0.000000 0.000000 
1 1 1   -4    0    5 o  818.716   13.284  4548.90  147.144  4683.29  211.971  4423.91  204.421  830.388   18.859  807.044   18.714 -0.000000 0.000000 
1 1 1   -4    0    6 o  416.225   7.7399  1176.27   43.581  1152.52   61.043  1200.95   62.240  411.932   10.953  420.518   10.939 -0.000000 0.000000 
1 1 1   -4    0    7 o  224.106   5.6181  341.635   17.013  339.205   24.047  344.069   24.072  223.303   7.9698  224.910   7.9205 -0.000000 0.000000 
1 1 1   -4    0    8 o  735.624   12.097  3674.40  120.435  3728.66  171.930  3622.12  168.755  740.960   17.144  730.288   17.073 -0.000000 0.000000 
1 1 1   -4    0    9 o  1083.09   17.177  7970.88  251.803  7871.79  353.213  8073.29  359.065  1076.25   24.246  1089.94   24.337 -0.000000 0.000000 
1 1 1   -4    0   10 o  1549.30   24.184 16336.27  507.194 16376.89  718.573 16295.94  715.994  1551.22   34.221  1547.39   34.183 -0.000000 0.000000 
1 1 1   -4    0   11 f  655.000   10.969  2913.23   97.233  2948.35  138.567  2879.16  136.473  658.892   15.539  651.107   15.487 -0.000000 0.000000 
1 1 1   -4    0   12 o  933.966   14.983  5924.05  189.371  6048.68  271.536  5806.04  264.236  943.531   21.261  924.401   21.118 -0.000000 0.000000 
1 1 1   -4    0   13 o  993.541   22.427  6708.16  301.605   0.0000   0.0000  6708.16  301.605  993.541   22.427  993.541   22.427 -0.000000 0.000000 
1 1 1   -4    0   14 o  970.310   15.525  6392.05  203.794  6591.40  294.117  6207.96  282.642  984.856   22.063  955.764   21.848 -0.000000 0.000000 
1 1 1   -4    0   15 o  2320.31   36.070 36826.99  1132.92 36954.99  1606.13 36700.24  1598.29  2324.31   51.048  2316.31   50.974 -0.000000 0.000000 
1 1 1   -4    0   16 o  479.147   8.6049  1559.16   55.787  1577.07   79.438  1541.72   78.363  481.867   12.183  476.428   12.155 -0.000000 0.000000 
1 1 1   -4    0   17 o  600.433   10.235  2448.40   83.158  2412.69  116.653  2485.30  118.577  595.976   14.463  604.891   14.484 -0.000000 0.000000 
1 1 1   -4    0   18 o  1458.24   22.851 14487.35  451.046 14374.19  634.460 14602.98  641.347  1452.49   32.270  1464.00   32.363 -0.000000 0.000000 
1 1 1   -4    0   19 o  677.803   16.016  3121.50  146.925  3121.50  146.925   0.0000   0.0000  677.803   16.016  677.803   16.016 -0.000000 0.000000 
1 1 1   -4    0   20 o  146.647   7.6221  146.933   15.054  146.933   15.054   0.0000   0.0000  146.647   7.6221  146.647   7.6221 -0.000000 0.000000 
1 1 1   -4    0   21 o  637.072   10.765  2754.39   92.749  2864.27  134.288  2654.17  128.252  649.217   15.283  624.926   15.165 -0.000000 0.000000 
1 1 1   -4    0   22 f  903.360   14.580  5550.85  178.250  5647.96  254.993  5458.04  249.271  911.086   20.677  895.634   20.562 -0.000000 0.000000 
1 1 1   -4    0   23 o  474.268   8.5880  1528.57   55.113  1520.17   77.774  1537.05   78.110  472.955   12.153  475.581   12.138 -0.000000 0.000000 
1 1 1   -4    0   24 o  105.518   5.5747   76.864   7.8475   71.059   11.116   82.632   11.081  101.397   8.2135  109.639   7.5398 -0.000000 0.000000 
1 1 1   -4    0   25 o  147.538   5.4949  148.815   10.914  146.921   15.548  150.654   15.323  146.587   7.8791  148.489   7.6614 -0.000000 0.000000 
1 1 1   -4    0   26 o  1246.19   19.723 10601.25  332.665 10730.82  474.400 10475.89  466.617  1253.67   27.956  1238.71   27.829 -0.000000 0.000000 
1 1 1   -4    0   27 o  835.842   13.625  4754.26  154.132  4800.72  219.531  4709.10  216.454  839.867   19.312  831.817   19.226 -0.000000 0.000000 
1 1 1   -4    0   28 o  150.612   5.6248  154.925   11.402  159.886   16.410  150.294   15.855  152.959   7.9660  148.265   7.9434 -0.000000 0.000000 
1 1 1   -4    0   29 o  234.060   6.0319  372.603   19.068  382.719   27.410  363.118   26.542  237.145   8.5545  230.974   8.5062 -0.000000 0.000000 
1 1 1   -4    0   30 o  797.893   13.083  4326.29  141.230  4443.17  203.285  4217.24  196.353  808.306   18.581  787.479   18.423 -0.000000 0.000000 
1 1 1   -4    0   31 o  132.668   8.0882  120.623   14.417   0.0000   0.0000  120.623   14.417  132.668   8.0882  132.668   8.0882 -0.000000 0.000000 
1 1 1   -4    0   32 o  207.736   6.0077  293.488   16.832  304.766   24.469  283.358   23.191  211.527   8.5681  203.944   8.4238 -0.000000 0.000000 
1 1 1   -4    0   33 o  298.337   6.6727  604.996   26.912  611.789   38.471  598.486   37.659  299.977   9.4853  296.698   9.3878 -0.000000 0.000000 
1 1 1   -4    0   34 o  263.607   6.3896  471.896   22.745  492.660   32.985  453.070   31.407  269.143   9.0670  258.072   9.0055 -0.000000 0.000000 
1 1 1   -4    0   35 f   90.367   6.7083   57.138   8.0057   58.101   11.479   56.226   11.171   91.117   9.5361   89.618   9.4375 -0.000000 0.000000 
1 1 1   -4    0   36 o  901.155   14.593  5520.33  177.992  5464.41  250.289  5577.55  253.173  896.533   20.626  905.778   20.650 -0.000000 0.000000 
1 1 1   -4    0   37 o  119.445   8.8239   98.274   14.104   98.274   14.104   0.0000   0.0000  119.445   8.8239  119.445   8.8239 -0.000000 0.000000 
1 1 1   -4    0   38 o  459.062   12.074  1431.75   74.994  1431.75   74.994   0.0000   0.0000  459.062   12.074  459.062   12.074 -0.000000 0.000000 
1 1 1   -4    0   39 o  436.273   8.2479  1292.98   48.679  1308.81   69.434  1277.67   68.265  438.902   11.693  433.643   11.636 -0.000000 0.000000 
1 1 1   -4    0   40 o  726.899   12.117  3590.92  119.205  3557.31  167.803  3625.17  169.370  723.460   17.138  730.339   17.134 -0.000000 0.000000 
1 1 1   -4    0   41 o  167.128   6.1476  190.876   13.835  194.832   19.578  186.931   19.553  168.885   8.6055  165.370   8.7817 -0.000000 0.000000 
1 1 1   -4    0   42 o  198.383   6.1758  267.891   16.516  282.116   23.895  254.879   22.853  203.451   8.7030  193.316   8.7647 -0.000000 0.000000 
1 1 1   -4    0   43 f  165.840   6.2375  187.580   13.910  200.234   20.206  176.182   19.177  171.198   8.7618  160.481   8.8802 -0.000000 0.000000 
1 1 1   -4    0   44 o  1045.49   16.759  7444.08  237.149  7495.56  337.257  7393.74  333.531  1049.06   23.751  1041.92   23.650 -0.000000 0.000000 
1 1 1   -4    0   45 o  236.070   6.4766  378.360   20.615  401.736   30.191  357.940   28.218  242.905   9.2020  229.234   9.1164 -0.000000 0.000000 
1 1 1   -4    0   46 o  774.917   12.843  4083.49  134.671  3987.97  188.099  4183.95  192.899  765.610   18.153  784.224   18.173 -0.000000 0.000000 
1 1 1   -4    0   47 o  719.196   12.057  3517.81  117.347  3449.53  164.371  3588.78  167.582  712.068   17.056  726.325   17.047 -0.000000 0.000000 
1 1 1   -4    0   48 o  176.388   8.7510  212.504   20.800   0.0000   0.0000  212.504   20.800  176.388   8.7510  176.388   8.7510 -0.000000 0.000000 
1 1 1   -4    0   49 o   94.712   8.3733   65.021   9.9037   53.639   14.622   74.667   13.462   85.863   13.585  103.562   9.7932 -0.000000 0.000000 
1 1 1   -4    0   50 o  1567.63   24.795 16900.18  526.133 16990.01  747.269 16811.88  740.899  1571.73   35.124  1563.53   35.008 -0.000000 0.000000 
1 1 1   -4    0   51 o  508.833   9.2809  1759.28   63.854  1820.05   92.450  1703.85   88.300  517.228   13.209  500.438   13.040 -0.000000 0.000000 
1 1 1   -4    0   52 o  137.257   6.6972  129.030   12.288  141.980   18.042  117.827   16.781  143.768   9.3515  130.746   9.5896 -0.000000 0.000000 
1 1 1   -4    0   53 f   83.939   8.6698   50.558   9.2173   54.961   13.588   46.806   12.545   87.567   12.112   80.311   12.408 -0.000000 0.000000 
1 1 1   -4    0   54 o  147.561   9.5960  149.615   19.003  149.615   19.003   0.0000   0.0000  147.561   9.5960  147.561   9.5960 -0.000000 0.000000 
1 1 1   -4    0   55 o  240.509   9.2171  394.246   29.940   0.0000   0.0000  394.246   29.940  240.509   9.2171  240.509   9.2171 -0.000000 0.000000 
1 1 1   -4    0   56 o  271.318   9.8909  501.698   36.256  501.698   36.256   0.0000   0.0000  271.318   9.8909  271.318   9.8909 -0.000000 0.000000 
1 1 1   -4    0   57 o  297.014   9.9842  600.981   40.083  600.981   40.083   0.0000   0.0000  297.014   9.9842  297.014   9.9842 -0.000000 0.000000 
1 1 1   -4    0   58 o   62.658   11.418   31.694   8.3784   28.612   12.092   34.540   11.620   58.293   17.558   67.022   14.602 -0.000000 0.000000 
1 1 1   -4    0   59 f  325.324   7.2781  721.035   32.006  700.902   45.087  741.486   45.442  320.714   10.399  329.934   10.186 -0.000000 0.000000 
1 1 1   -4    0   60 o  438.120   8.4869  1308.30   50.299  1302.36   71.445  1314.14   70.826  437.115   12.082  439.126   11.922 -0.000000 0.000000 
1 1 1   -4    0   61 o  210.482   6.5552  302.795   18.602  295.776   26.582  309.531   26.042  208.039   9.4737  212.925   9.0626 -0.000000 0.000000 
1 1 1   -4    0   62 f  384.841   7.9049  1009.51   41.138  1015.03   58.817  1004.22   57.561  385.855   11.270  383.827   11.087 -0.000000 0.000000 
1 1 1   -4    0   63 o  118.804   7.2337   98.307   11.402   94.226   16.615  101.939   15.675  116.261   10.758  121.348   9.6736 -0.000000 0.000000 
1 1 1   -4    0   64 o  429.312   11.818  1257.26   68.637   0.0000   0.0000  1257.26   68.637  429.312   11.818  429.312   11.818 -0.000000 0.000000 
1 1 1   -4    0   65 o   90.037   10.325   62.031   10.350   38.239   14.574   86.242   14.701   68.742   18.108  111.333   9.9257 -0.000000 0.000000 
1 1 1   -4    0   66 o  402.155   8.1573  1103.54   44.361  1068.97   62.312  1139.07   63.168  395.728   11.643  408.583   11.429 -0.000000 0.000000 
1 1 1   -4    0   67 o   84.906   9.4298   52.670   10.024   50.793   14.355   54.457   14.005   83.053   13.933   86.759   12.710 -0.000000 0.000000 
1 1 1   -4    0   68 o  212.235   6.7417  308.270   19.291  301.850   27.502  314.487   27.068  210.008   9.7110  214.462   9.3541 -0.000000 0.000000 
1 1 1   -4    0   69 o  176.647   9.9699  214.304   23.692  214.304   23.692   0.0000   0.0000  176.647   9.9699  176.647   9.9699 -0.000000 0.000000 
1 1 1   -4    0   70 o   98.615   8.6568   69.273   11.087   70.401   15.749   68.164   15.610   99.474   12.171   97.757   12.314 -0.000000 0.000000 
1 1 1   -4    0   71 o  217.324   6.8781  323.478   20.101  292.054   28.147  356.180   28.714  206.393   10.119  228.255   9.3184 -0.000000 0.000000 
1 1 1   -4    0   72 o   94.893   10.694   69.259   11.181   41.264   15.738   97.783   15.886   71.199   18.879  118.587   10.052 -0.000000 0.000000 
1 1 1   -4    0   73 o  114.950   7.7295   92.313   11.779   96.935   17.100   88.139   16.248  117.755   10.932  112.146   10.930 -0.000000 0.000000 
1 1 1   -4    0   74 o  228.608   6.8456  356.227   21.069  388.509   31.027  328.604   28.701  238.232   9.6468  218.983   9.7154 -0.000000 0.000000 
1 1 1   -4    0   75 o   27.520   11.320   3.1092   8.0338  -7.7458   11.794   12.507   10.974   19.900   13.643   35.140   18.068 -0.000000 0.000000 
1 1 1   -4    0   76 o  306.554   7.3275  642.470   30.326  672.331   44.202  615.914   41.684  313.267   10.438  299.840   10.286 -0.000000 0.000000 
1 1 1   -4    0   77 o  267.795   7.1108  492.309   25.699  476.508   36.702  507.509   35.996  263.474   10.315  272.117   9.7903 -0.000000 0.000000 
1 1 1   -4    0   78 o   68.097   16.762   37.179   13.394   0.0000   0.0000   37.179   13.394   68.097   16.762   68.097   16.762 -0.000000 0.000000 
1 1 1   -4    0   79 f   46.849   13.952   20.712   9.2095   28.945   14.207   14.745   12.095   55.908   20.369   37.790   19.071 -0.000000 0.000000 
1 1 1   -4    0   80 o   78.032   11.230   48.411   10.063   34.851   14.389   61.392   14.079   63.698   19.128   92.367   11.769 -0.000000 0.000000 
1 1 1   -4    0   81 o  251.957   7.0274  437.598   23.904  430.257   33.930  444.832   33.683  249.796   10.061  254.117   9.8144 -0.000000 0.000000 
1 1 1   -4    0   82 o  270.784   7.1959  505.240   26.293  535.150   38.141  478.153   36.296  278.455   10.138  263.112   10.215 -0.000000 0.000000 
1 1 1   -4    0   83 o  101.382   11.895   73.947   15.754   73.947   15.754   0.0000   0.0000  101.382   11.895  101.382   11.895 -0.000000 0.000000 
1 1 1   -4    0   84 o   63.248   11.223   34.719   9.4386   60.654   13.950   12.819   12.818   91.384   11.807   35.113   19.090 -0.000000 0.000000 
1 1 1   -4    0   85 o   17.602   8.6606  -8.8411   7.3618  -9.4460   10.435  -8.2418   10.387   17.384   12.134   17.820   12.361 -0.000000 0.000000 
1 1 1   -4    0   86 o  130.460   7.3168  120.055   12.734  127.556   18.308  113.025   17.723  134.560   10.174  126.360   10.518 -0.000000 0.000000 
1 1 1   -4    0   87 o  119.622   7.6132  102.075   12.095  100.119   17.424  103.894   16.803  118.310   11.092  120.934   10.432 -0.000000 0.000000 
1 1 1   -4    0   88 o   53.437   12.613   26.313   8.7743   37.314   12.999   17.107   11.892   67.202   16.482   39.673   19.098 -0.000000 0.000000 
1 1 1   -4    0   89 o  124.949   7.6245  111.082   12.513  135.345   18.422   90.299   17.050  138.294   9.9482  111.605   11.557 -0.000000 0.000000 
1 1 1   -4    0   90 o   48.106   13.113   22.975   8.5923   30.322   12.458   16.309   11.866   57.891   18.102   38.321   18.976 -0.000000 0.000000 
1 1 1   -4    0   91 o   24.627   15.401   3.6674   10.563   0.0000   0.0000   3.6674   10.563   24.627   15.401   24.627   15.401 -0.000000 0.000000 
1 1 1   -4    0   92 o   18.731   12.779  -4.8168   10.068   0.0000   0.0000  -4.8168   10.068   18.731   12.779   18.731   12.779 -0.000000 0.000000 
1 1 1   -4    0   93 o   84.350   13.351   54.530   14.117   0.0000   0.0000   54.530   14.117   84.350   13.351   84.350   13.351 -0.000000 0.000000 
1 1 1   -4    0   94 o   29.391   17.159   8.8474   11.360   0.0000   0.0000   8.8474   11.360   29.391   17.159   29.391   17.159 -0.000000 0.000000 
1 1 1   -4    1    1 o  1264.34   19.862 10872.16  340.303 10843.19  480.253 10901.37  482.277  1262.65   28.068  1266.03   28.111 -3.375610 39.72403 
1 1 1   -4    1    2 o  215.453   4.7180  310.514   12.944  326.417   22.839  302.989   15.710  219.457   7.6796  211.449   5.4828 8.007599 9.435981 
1 1 1   -4    1    3 o  1239.15   13.749 10417.28  230.807 10193.69  321.634 10654.67  331.408  1225.46   19.368  1252.84   19.520 -27.38489 27.49813 
1 1 1   -4    1    4 o  645.449   7.6223  2823.34   66.657  2770.60   93.177  2878.63   95.397  639.278   10.756  651.620   10.803 -12.34235 15.24454 
1 1 1   -4    1    5 o  1067.04   11.951  7723.33  172.792  7844.98  246.870  7606.50  241.933  1075.27   16.942  1058.81   16.861 16.46326 23.90283 
1 1 1   -4    1    6 o  319.065   4.6376  689.881   20.051  682.624   28.229  697.271   28.487  317.372   6.5636  320.759   6.5536 -3.386871 9.275227 
1 1 1   -4    1    7 o  786.982   9.0535  4199.79   96.551  4217.18  136.879  4182.57  136.212  788.603   12.808  785.360   12.799 3.242432 18.10694 
1 1 1   -4    1    8 o  546.576   6.6704  2024.85   49.404  2048.84   70.343  2001.50   69.401  549.770   9.4419  543.381   9.4250 6.388367 13.34086 
1 1 1   -4    1    9 o  1055.39   11.827  7556.26  169.125  7665.29  241.439  7451.22  236.982  1062.86   16.763  1047.92   16.688 14.94006 23.65345 
1 1 1   -4    1   10 o  1747.71   19.195 20774.89  454.596 20931.84  646.110 20621.03  639.729  1754.24   27.179  1741.19   27.112 13.05615 38.38988 
1 1 1   -4    1   11 o  554.149   6.7540  2081.11   50.712  2119.73   72.456  2044.04   71.001  559.186   9.5617  549.112   9.5415 10.07355 13.50803 
1 1 1   -4    1   12 o  464.688   8.3673  1463.82   52.681  1487.32   75.366  1441.37   73.669  468.332   11.875  461.044   11.791 7.288330 16.73470 
1 1 1   -4    1   13 o  548.368   9.4837  2037.23   70.430  2109.78  101.824  1970.69   97.521  557.714   13.473  539.022   13.351 18.69208 18.96739 
1 1 1   -4    1   14 o  744.961   8.6437  3763.16   87.253  3809.46  124.329  3718.22  122.481  749.475   12.241  740.447   12.207 9.028076 17.28735 
1 1 1   -4    1   15 o  831.901   9.5280  4694.51  107.411  4669.01  151.374  4720.37  152.435  829.627   13.464  834.176   13.485 -4.549072 19.05593 
1 1 1   -4    1   16 o  695.355   8.1584  3275.25   76.829  3396.51  111.050  3163.93  106.403  707.683   11.580  683.028   11.496 24.65546 16.31681 
1 1 1   -4    1   17 o  1077.88   12.082  7888.86  176.466  7946.95  250.773  7831.89  248.365  1081.81   17.106  1073.95   17.066 7.854858 24.16307 
1 1 1   -4    1   18 o  553.798   6.7770  2079.25   50.855  2108.70   72.484  2050.70   71.368  557.659   9.5917  549.937   9.5766 7.722046 13.55400 
1 1 1   -4    1   19 o  434.771   8.0504  1281.93   47.424  1262.84   66.360  1301.86   67.798  431.465   11.349  438.077   11.420 -6.612701 16.10086 
1 1 1   -4    1   20 o  649.843   9.4465  2868.57   78.512  2860.58  135.582  2872.61   96.301  648.964   15.417  650.722   10.921 -1.758484 18.89297 
1 1 1   -4    1   21 o  391.003   5.3117  1036.56   28.145  1041.61   39.888  1031.54   39.717  391.953   7.5098  390.054   7.5141 1.899231 10.62349 
1 1 1   -4    1   22 o  832.765   9.5636  4710.07  107.925  4719.72  152.798  4700.48  152.462  833.616   13.526  831.915   13.524 1.700562 19.12711 
1 1 1   -4    1   23 o  205.985   4.0195  287.627   11.220  290.460   15.878  284.802   15.856  206.999   5.6605  204.972   5.7084 2.026825 8.039060 
1 1 1   -4    1   24 o  196.875   3.9922  262.735   10.650  259.982   14.997  265.536   15.128  195.835   5.6510  197.916   5.6405 -2.081009 7.984328 
1 1 1   -4    1   25 o  753.937   8.7774  3860.75   89.677  3847.77  126.506  3873.85  127.140  752.665   12.403  755.209   12.423 -2.543640 17.55475 
1 1 1   -4    1   26 f  190.916   4.0095  246.868   10.363  231.954   14.440  262.708   14.882  184.974   5.7608  196.858   5.5784 -11.88417 8.019071 
1 1 1   -4    1   27 o  457.853   5.9308  1421.38   36.791  1391.36   51.456  1452.78   52.625  452.909   8.3838  462.797   8.3911 -9.888367 11.86162 
1 1 1   -4    1   28 o  490.738   6.2323  1633.54   41.446  1638.92   58.673  1628.19   58.553  491.544   8.8083  489.932   8.8193 1.612183 12.46462 
1 1 1   -4    1   29 o  156.928   5.6125  166.928   11.935  166.928   11.935   0.0000   0.0000  156.928   5.6125  ?   ?       ?      ? 
1 1 1   -4    1   30 o  1061.14   14.662  7682.58  199.052  7623.04  342.940  7712.83  244.441  1057.15   23.939  1065.13   16.935 -7.979858 29.32329 
1 1 1   -4    1   31 o  332.615   6.9431  748.984   31.266  788.639   45.347  713.049   43.168  340.992   9.8134  324.238   9.8245 16.75381 13.88612 
1 1 1   -4    1   32 o  1043.27   14.431  7462.56  193.648  7595.50  239.994  7214.50  327.824  1057.36   16.749  1029.18   23.505 28.18579 28.86244 
1 1 1   -4    1   33 o  687.726   8.1505  3207.89   75.953  3256.42  108.277  3160.87  106.571  692.846   11.532  682.607   11.521 10.23926 16.30109 
1 1 1   -4    1   34 o  793.899   9.2035  4275.55   99.001  4206.48  138.568  4347.57  141.493  787.354   12.987  800.444   13.044 -13.09039 18.40704 
1 1 1   -4    1   35 o  541.606   6.7415  1989.08   49.479  1989.39   69.915  1988.76   70.033  541.649   9.5251  541.562   9.5426 0.8636475E-01 13.48294 
1 1 1   -4    1   36 o  807.215   11.452  4407.24  117.653  4374.22  143.303  4475.52  206.077  802.895   13.171  811.535   18.739 -8.640381 22.90434 
1 1 1   -4    1   37 o  249.133   9.0178  420.837   30.445   0.0000   0.0000  420.837   30.445  ?   ?   249.133   9.0178      ?      ? 
1 1 1   -4    1   38 o  342.933   6.2188  801.236   27.330  785.432   46.807  809.411   33.665  340.316   10.149  345.549   7.1892 -5.233276 12.43767 
1 1 1   -4    1   39 o  824.456   9.5307  4613.27  106.482  4621.59  150.620  4604.96  150.556  825.200   13.469  823.712   13.488 1.488159 19.06143 
1 1 1   -4    1   40 o  361.050   5.2143  883.709   25.512  890.767   36.162  876.716   35.997  362.486   7.3617  359.615   7.3866 2.871033 10.42863 
1 1 1   -4    1   41 o  509.247   6.4686  1758.69   44.639  1761.50   63.171  1755.89   63.089  509.653   9.1466  508.842   9.1492 0.8114624 12.93710 
1 1 1   -4    1   42 o  309.898   6.9195  651.066   29.059   0.0000   0.0000  651.066   29.059  ?   ?   309.898   6.9195      ?      ? 
1 1 1   -4    1   43 o  328.742   5.0210  732.620   22.366  745.485   31.805  720.034   31.459  331.597   7.0779  325.886   7.1236 5.710724 10.04204 
1 1 1   -4    1   44 o  589.278   7.2336  2356.09   57.764  2362.92   81.777  2349.28   81.604  590.131   10.226  588.425   10.234 1.705994 14.46720 
1 1 1   -4    1   45 o  625.252   7.5838  2653.13   64.257  2654.01   90.846  2652.26   90.902  625.355   10.720  625.148   10.730 0.2071533 15.16755 
1 1 1   -4    1   46 o  532.249   6.7214  1922.02   48.478  1933.65   68.781  1910.54   68.338  533.849   9.5076  530.649   9.5033 3.200012 13.44272 
1 1 1   -4    1   47 o  523.326   8.1040  1845.02   53.994  1902.26   94.856  1817.58   65.671  529.097   13.230  517.556   9.3635 11.54047 16.20792 
1 1 1   -4    1   48 o  836.559   11.884  4753.03  126.874  4805.25  220.719  4727.26  155.050  839.269   19.407  833.849   13.721 5.420715 23.76772 
1 1 1   -4    1   49 o  218.261   5.4001  316.486   15.120  303.354   18.421  343.594   26.467  211.504   6.4272  225.018   8.6795 -13.51448 10.80015 
1 1 1   -4    1   50 o  405.421   6.8643  1109.50   35.547  1096.71   43.409  1135.55   61.935  402.033   7.9677  408.810   11.180 -6.776917 13.72850 
1 1 1   -4    1   51 o  195.927   6.2914  260.665   16.697  258.613   23.914  262.617   23.323  195.169   9.0418  196.686   8.7505 -1.517776 12.58275 
1 1 1   -4    1   52 o  455.207   7.4438  1396.38   43.089  1442.59   75.902  1374.41   52.341  460.486   12.163  449.929   8.5845 10.55649 14.88766 
1 1 1   -4    1   53 o  282.279   5.9179  534.678   21.175  523.450   25.614  558.922   37.637  277.753   6.8051  286.805   9.6838 -9.052094 11.83573 
1 1 1   -4    1   54 o  440.628   7.3135  1316.28   41.104  1331.64   71.606  1308.73   50.199  442.280   11.947  438.975   8.4386 3.305115 14.62694 
1 1 1   -4    1   55 o  430.471   7.2288  1259.91   39.686  1261.37   68.975  1259.19   48.521  430.385   11.826  430.557   8.3161 -0.1726379 14.45761 
1 1 1   -4    1   56 o  287.747   4.8534  562.023   18.925  566.344   26.847  557.755   26.682  288.847   6.8588  286.647   6.8688 2.199585 9.706885 
1 1 1   -4    1   57 o  175.758   4.5042  209.660   10.728  208.504   15.161  210.819   15.182  175.272   6.3831  176.244   6.3568 -0.9716034 9.008461 
1 1 1   -4    1   58 o  227.055   6.5240  349.978   20.074   0.0000   0.0000  349.978   20.074  ?   ?   227.055   6.5240      ?      ? 
1 1 1   -4    1   59 o  284.531   5.9971  558.663   22.019  522.550   36.683  579.003   27.531  277.076   9.7697  291.986   6.9578 -14.91006 11.99412 
1 1 1   -4    1   60 o  614.218   10.764  2582.97   89.532  2703.35  129.317  2472.13  124.080  627.958   15.196  600.479   15.248 27.47925 21.52769 
1 1 1   -4    1   61 o  334.414   6.4522  766.574   27.527  777.550   33.798  744.948   47.443  338.257   7.3732  330.572   10.591 7.684784 12.90443 
1 1 1   -4    1   62 o  250.029   4.7537  424.680   16.106  423.884   22.735  425.483   22.821  249.794   6.7165  250.263   6.7289 -0.4696198 9.507336 
1 1 1   -4    1   63 o  181.848   5.5527  223.574   13.042  229.312   22.215  220.557   16.110  183.517   8.9329  180.179   6.5981 3.337906 11.10547 
1 1 1   -4    1   64 o  491.539   7.9107  1649.43   49.720  1647.55   60.953  1653.17   85.950  491.777   9.1463  491.301   12.910 0.4763184 15.82138 
1 1 1   -4    1   65 o  365.507   6.6271  896.703   30.840  871.046   37.401  951.204   54.511  357.817   7.7132  373.198   10.779 -15.38071 13.25416 
1 1 1   -4    1   66 o  289.916   5.0033  571.550   19.656  568.739   27.708  574.397   27.889  289.199   7.0701  290.633   7.0813 -1.433350 10.00654 
1 1 1   -4    1   67 o  468.265   6.2945  1494.65   39.943  1492.72   56.409  1496.60   56.566  467.964   8.8952  468.567   8.9084 -0.6033936 12.58903 
1 1 1   -4    1   68 o   92.039   7.4033   56.881   8.6321   55.112   10.415   60.764   15.427   89.926   8.5469   94.152   12.091 -4.226357 14.80670 
1 1 1   -4    1   69 o  309.737   5.1991  652.737   21.815  677.576   31.148  628.824   30.562  315.531   7.2847  303.943   7.4200 11.58835 10.39824 
1 1 1   -4    1   70 o  328.213   6.4705  731.889   27.101  745.307   47.225  725.300   33.092  330.050   10.559  326.377   7.4821 3.672699 12.94092 
1 1 1   -4    1   71 o  393.430   5.7213  1054.96   30.499  1078.75   43.443  1031.84   42.828  397.812   8.0586  389.047   8.1235 8.764954 11.44258 
1 1 1   -4    1   72 o  161.675   4.8837  177.953   10.699  180.759   15.146  175.159   15.114  162.952   6.8591  160.398   6.9536 2.554413 9.767324 
1 1 1   -4    1   73 o  288.480   5.0649  566.656   19.794  547.900   27.637  586.408   28.362  283.576   7.1919  293.385   7.1337 -9.809021 10.12981 
1 1 1   -4    1   74 o  214.750   4.8429  313.920   14.086  300.752   19.614  327.947   20.243  210.096   6.8890  219.404   6.8086 -9.307632 9.685839 
1 1 1   -4    1   75 o  207.278   4.8266  292.857   13.554  302.340   19.264  283.562   19.072  210.615   6.7497  203.942   6.9011 6.672577 9.653178 
1 1 1   -4    1   76 o  217.187   4.8261  321.667   14.195  337.463   20.266  306.451   19.890  222.441   6.7231  211.932   6.9256 10.50945 9.652161 
1 1 1   -4    1   77 f  210.219   5.7966  297.356   15.699  319.835   27.160  286.078   19.238  215.757   9.2894  204.680   6.9360 11.07684 11.59318 
1 1 1   -4    1   78 o  151.503   6.1609  162.014   11.996  142.763   19.768  173.235   15.092  143.815   10.143  159.190   6.9960 -15.37505 12.32177 
1 1 1   -4    1   79 f   70.904   9.3721   39.591   8.0851   46.891   10.014   25.925   13.702   82.517   8.9558   59.292   16.466 23.22510 18.74414 
1 1 1   -4    1   80 o  197.230   4.8258  266.356   12.896  264.739   18.068  268.036   18.413  196.633   6.7806  197.827   6.8685 -1.193741 9.651587 
1 1 1   -4    1   81 o  157.501   4.9810  170.492   10.599  186.263   15.032  154.898   14.947  164.842   6.7292  150.158   7.3457 14.68408 9.961998 
1 1 1   -4    1   82 o   91.575   7.0627   52.754   8.2705   42.014   9.8926   77.690   15.073   77.757   9.3882  105.392   10.554 -27.63457 14.12548 
1 1 1   -4    1   83 o  108.028   7.9382   80.694   11.621   0.0000   0.0000   80.694   11.621  ?   ?   108.028   7.9382      ?      ? 
1 1 1   -4    1   84 o   84.687   7.5833   51.181   8.2411   48.771   13.899   52.487   10.234   82.549   12.424   86.824   8.6983 -4.275139 15.16665 
1 1 1   -4    1   85 o  191.781   4.8542  254.067   12.608  264.942   17.860  243.266   17.800  195.945   6.7262  187.617   7.0009 8.328049 9.708462 
1 1 1   -4    1   86 o   76.926   6.5112   41.885   6.7227   48.150   9.4867   35.564   9.5280   82.969   8.4376   70.883   9.9193 12.08607 13.02247 
1 1 1   -4    1   87 o   83.102   6.1948   48.801   6.9439   52.693   9.6728   44.663   9.9746   86.717   8.2313   79.488   9.2600 7.228355 12.38956 
1 1 1   -4    1   88 o   88.394   5.9429   54.850   7.0824   47.683   9.7508   62.853   10.304   82.156   8.7582   94.631   8.0352 -12.47472 11.88574 
1 1 1   -4    1   89 o   65.307   7.1833   30.666   6.3533   29.698   8.7994   31.719   9.1828   64.252   10.106   66.362   10.211 -2.109375 14.36667 
1 1 1   -4    1   90 o  161.375   6.1312  187.944   12.597  175.754   21.440  194.370   15.567  155.928   10.146  166.822   6.8859 -10.89415 12.26241 
1 1 1   -4    1   91 f  117.259   7.5328  100.378   11.925   89.566   16.588  111.939   17.154  110.372   11.091  124.145   10.196 -13.77327 15.06552 
1 1 1   -4    1   92 o   88.166   8.5429   58.310   10.186   62.835   14.517   53.922   14.295   91.824   11.667   84.509   12.483 7.314751 17.08575 
1 1 1   -4    1   93 o   31.777   9.6806   1.7599   7.6402   4.6550   10.700  -1.2520   10.913   33.750   14.074   29.804   13.296 3.946352 19.36125 
1 1 1   -4    1   94 o   60.451   15.567   30.692   12.829   30.692   12.829   0.0000   0.0000   60.451   15.567  ?   ?       ?      ? 
1 1 1   -4    2    1 o  609.398   14.600  2518.98  120.571  2518.98  120.571   0.0000   0.0000  609.398   14.600  ?   ?       ?      ? 
1 1 1   -4    2    2 o  1801.51   19.774 22072.73  482.674 21773.46  676.203 22383.61  689.190  1789.08   27.891  1813.94   28.037 -24.85645 39.54725 
1 1 1   -4    2    3 o  597.660   8.2725  2436.09   58.428  2451.04   67.816  2393.00  115.102  601.344   8.3219  593.976   14.300 7.367554 16.54508 
1 1 1   -4    2    4 o  2069.35   22.730 29162.59  637.340 29531.06  909.610 28807.24  893.281  2082.15   32.237  2056.54   32.053 25.61328 45.46036 
1 1 1   -4    2    5 o  662.221   7.8017  2971.94   69.996  2908.62   97.747  3038.58  100.281  654.985   11.013  669.456   11.054 -14.47107 15.60331 
1 1 1   -4    2    6 o  617.148   7.3716  2581.55   61.643  2623.42   87.962  2541.15   86.411  622.063   10.435  612.233   10.415 9.830444 14.74317 
1 1 1   -4    2    7 o  448.174   5.7596  1361.28   34.978  1345.23   49.159  1377.74   49.780  445.499   8.1428  450.850   8.1477 -5.351440 11.51917 
1 1 1   -4    2    8 o  715.228   8.3365  3468.29   80.795  3508.24  115.039  3429.40  113.498  719.292   11.802  711.164   11.777 8.127686 16.67293 
1 1 1   -4    2    9 o  996.802   13.755  6797.38  176.322  6911.98  218.407  6582.91  298.784  1009.30   15.969  984.307   22.400 24.98901 27.50902 
1 1 1   -4    2   10 o  578.418   8.5651  2289.64   63.744  2337.19   79.078  2201.42  107.713  587.150   9.9385  569.686   13.952 17.46423 17.13023 
1 1 1   -4    2   11 o  400.198   7.5655  1084.57   41.002  1123.27   59.332  1049.19   56.726  407.022   10.757  393.374   10.641 13.64740 15.13105 
1 1 1   -4    2   12 o  1049.19   14.439  7454.99  192.995  7543.77  337.060  7411.68  235.405  1053.37   23.613  1045.00   16.623 8.369385 28.87710 
1 1 1   -4    2   13 o  815.072   9.3575  4506.33  103.357  4490.55  145.864  4522.23  146.474  813.640   13.229  816.504   13.238 -2.864136 18.71510 
1 1 1   -4    2   14 o  994.855   11.221  6716.22  151.258  6812.56  215.815  6623.20  212.057  1001.86   15.896  987.847   15.841 14.01575 22.44147 
1 1 1   -4    2   15 f  597.062   7.1918  2417.19   58.188  2426.92   82.451  2407.53   82.131  598.259   10.170  595.864   10.171 2.395569 14.38355 
1 1 1   -4    2   16 o  989.993   11.169  6653.46  149.841  6619.88  211.201  6687.50  212.621  987.479   15.783  992.507   15.808 -5.028137 22.33841 
1 1 1   -4    2   17 f  804.961   9.2643  4396.00  101.048  4340.72  141.736  4453.15  144.101  799.817   13.077  810.104   13.126 -10.28717 18.52856 
1 1 1   -4    2   18 o  827.185   13.451  4651.32  150.766  4606.93  211.574  4697.12  214.895  823.183   18.966  831.186   19.079 -8.002441 26.90189 
1 1 1   -4    2   19 o   54.013   5.7597   20.382   3.8840   19.119   6.5395   21.069   4.8278   52.275   9.5845   55.751   6.3902 -3.475979 11.51945 
1 1 1   -4    2   20 o  819.817   9.4470  4563.59  104.953  4579.10  148.641  4548.17  148.210  821.206   13.357  818.427   13.363 2.778625 18.89407 
1 1 1   -4    2   21 o  241.173   4.2206  394.165   13.791  383.962   19.327  404.750   19.686  237.993   5.9927  244.352   5.9450 -6.358643 8.441289 
1 1 1   -4    2   22 o  605.313   7.2956  2485.80   59.837  2527.60   85.438  2445.57   83.830  610.305   10.331  600.322   10.305 9.982910 14.59126 
1 1 1   -4    2   23 o  217.979   4.1074  321.872   12.127  308.171   16.915  336.359   17.394  213.209   5.8546  222.749   5.7625 -9.539322 8.214760 
1 1 1   -4    2   24 o  440.180   5.7704  1314.20   34.420  1322.98   48.797  1305.50   48.558  441.645   8.1535  438.715   8.1677 2.929199 11.54080 
1 1 1   -4    2   25 o  504.499   6.3555  1726.61   43.449  1711.14   61.117  1742.41   61.779  502.215   8.9803  506.782   8.9958 -4.567200 12.71101 
1 1 1   -4    2   26 o  392.396   5.3717  1043.87   28.559  1023.05   39.978  1065.58   40.813  388.400   7.5955  396.391   7.5980 -7.990509 10.74337 
1 1 1   -4    2   27 o  974.623   11.048  6458.73  145.909  6483.25  206.807  6434.44  205.888  976.463   15.629  972.783   15.618 3.679932 22.09505 
1 1 1   -4    2   28 o  462.904   6.0064  1453.08   37.675  1475.41   53.623  1431.31   52.945  466.416   8.4839  459.392   8.5046 7.024109 12.01273 
1 1 1   -4    2   29 o  168.758   4.8935  188.934   10.569  205.522   18.599  181.023   12.844  174.097   7.8835  163.419   5.7996 10.67738 9.786963 
1 1 1   -4    2   30 o  812.881   11.510  4495.99  119.645  4471.49  206.505  4508.38  146.792  810.828   18.794  814.935   13.292 -4.106812 23.01953 
1 1 1   -4    2   31 o  636.732   9.3910  2799.03   77.379  2922.81   97.275  2585.76  127.687  656.405   10.936  617.060   15.270 39.34534 18.78195 
1 1 1   -4    2   32 o  647.747   9.4971  2878.35   79.242  2950.51   98.550  2746.35  133.288  659.529   11.027  635.964   15.466 23.56482 18.99420 
1 1 1   -4    2   33 o  210.163   4.2407  299.339   12.077  296.388   16.987  302.356   17.174  209.115   5.9943  211.210   6.0002 -2.094833 8.481343 
1 1 1   -4    2   34 o  975.772   11.063  6463.27  146.263  6373.93  204.903  6556.08  208.847  968.904   15.606  982.640   15.684 -13.73627 22.12514 
1 1 1   -4    2   35 o  660.548   9.6652  2935.81   80.959  2890.69   98.086  3032.23  143.398  652.831   11.087  668.265   15.835 -15.43420 19.33049 
1 1 1   -4    2   36 o  313.979   6.0071  674.208   24.032  685.914   29.487  651.053   41.471  318.107   6.8404  309.851   9.8766 8.255554 12.01411 
1 1 1   -4    2   37 o  1025.92   11.595  7146.56  161.177  7249.83  230.033  7046.97  225.902  1033.19   16.430  1018.65   16.365 14.54834 23.18920 
1 1 1   -4    2   38 o  815.106   11.564  4539.45  121.019  4427.53  206.153  4598.30  149.487  807.074   18.849  823.138   13.401 -16.06415 23.12767 
1 1 1   -4    2   39 o  621.393   7.5200  2619.09   63.324  2618.15   89.489  2620.03   89.618  621.281   10.629  621.504   10.641 -0.2227783 15.04008 
1 1 1   -4    2   40 o  764.987   8.9298  3970.58   92.559  4036.42  132.186  3907.25  129.648  771.205   12.648  758.769   12.609 12.43610 17.85952 
1 1 1   -4    2   41 o  1051.06   11.869  7499.90  168.955  7755.78  244.172  7264.85  234.027  1068.23   16.867  1033.90   16.703 34.33105 23.73849 
1 1 1   -4    2   42 o  602.773   7.3533  2464.68   60.061  2439.85   84.348  2490.21   85.542  599.695   10.379  605.850   10.419 -6.155273 14.70658 
1 1 1   -4    2   43 o  650.086   7.8158  2867.73   68.851  2894.50   97.846  2841.47   96.901  653.091   11.056  647.081   11.051 6.009888 15.63159 
1 1 1   -4    2   44 o  775.836   9.0579  4087.52   95.231  4081.04  134.470  4094.05  134.885  775.220   12.800  776.452   12.819 -1.232056 18.11578 
1 1 1   -4    2   45 o  435.411   5.8671  1285.69   34.616  1305.56   49.212  1266.22   48.702  438.741   8.2771  432.080   8.3176 6.661926 11.73424 
1 1 1   -4    2   46 o  385.102   7.6770  1006.31   40.054  977.924   56.055  1035.93   57.255  379.552   10.898  390.652   10.815 -11.09970 15.35397 
1 1 1   -4    2   47 o  303.612   6.9936  616.671   28.567  716.680   43.492  540.780   37.886  324.953   9.8765  282.272   9.9045 42.68204 13.98727 
1 1 1   -4    2   48 o  360.400   6.5343  894.684   30.268  838.804   50.898  925.259   37.649  351.465   10.686  369.336   7.5223 -17.87082 13.06851 
1 1 1   -4    2   49 o  279.602   5.7845  532.458   20.770  536.810   25.627  524.129   35.455  281.337   6.7219  277.866   9.4157 3.470490 11.56890 
1 1 1   -4    2   50 o  215.435   4.5067  314.813   13.155  318.599   18.534  310.969   18.675  216.742   6.3103  214.127   6.4360 2.614883 9.013441 
1 1 1   -4    2   51 o  201.168   4.4783  274.491   12.208  274.934   17.183  274.040   17.347  201.333   6.2978  201.003   6.3685 0.3298340 8.956604 
1 1 1   -4    2   52 o  600.857   9.1159  2473.52   70.086  2506.51   86.287  2409.57  120.149  607.263   10.485  594.451   14.915 12.81158 18.23177 
1 1 1   -4    2   53 o  280.606   4.7855  533.929   18.188  559.118   26.060  510.009   25.395  287.058   6.6992  274.154   6.8356 12.90421 9.570997 
1 1 1   -4    2   54 o  117.040   4.7599   92.979   7.5474   95.390   10.666   90.561   10.681  118.563   6.6388  115.518   6.8230 3.044930 9.519815 
1 1 1   -4    2   55 o  248.013   5.6720  415.124   17.930  425.533   31.385  410.081   21.846  250.208   9.2563  245.817   6.5581 4.390808 11.34402 
1 1 1   -4    2   56 o  333.332   5.1431  754.435   23.232  752.040   32.812  756.843   32.898  332.802   7.2755  333.863   7.2715 -1.061432 10.28627 
1 1 1   -4    2   57 o  390.340   5.5750  1034.09   29.475  996.653   40.953  1074.32   42.455  383.016   7.8902  397.663   7.8783 -14.64645 11.15000 
1 1 1   -4    2   58 o  174.614   4.5477  206.969   10.759  212.710   15.288  201.335   15.144  177.016   6.3732  172.212   6.4891 4.803940 9.095431 
1 1 1   -4    2   59 o  485.573   6.3763  1603.68   41.954  1583.27   58.867  1624.75   59.807  482.437   9.0043  488.709   9.0307 -6.271912 12.75266 
1 1 1   -4    2   60 o  535.928   6.8416  1955.63   49.687  1959.27   70.233  1951.99   70.304  536.430   9.6615  535.425   9.6894 1.005127 13.68316 
1 1 1   -4    2   61 o  247.221   4.7506  415.099   15.913  424.597   22.640  405.824   22.372  250.019   6.6822  244.423   6.7544 5.596191 9.501300 
1 1 1   -4    2   62 o  267.604   5.8851  486.542   20.209  489.271   34.729  485.145   24.849  267.996   9.5628  267.212   6.8622 0.7838745 11.77014 
1 1 1   -4    2   63 o  124.913   5.0151  106.182   8.4776  100.443   12.043  111.819   11.936  121.551   7.3115  128.275   6.8663 -6.723984 10.03016 
1 1 1   -4    2   64 o   90.546   6.8911   56.313   8.1600   54.280   13.297   57.540   10.335   89.148   11.007   91.944   8.2947 -2.796204 13.78224 
1 1 1   -4    2   65 o  382.958   7.9015  998.031   41.006  998.031   41.006   0.0000   0.0000  382.958   7.9015  ?   ?       ?      ? 
1 1 1   -4    2   66 o  377.909   5.5785  971.813   28.563  999.707   40.751  944.875   40.046  383.248   7.8465  372.571   7.9318 10.67682 11.15708 
1 1 1   -4    2   67 o  112.223   6.7088   88.782   9.4374   94.153   11.561   78.052   16.339  117.642   7.2518  106.805   11.289 10.83742 13.41758 
1 1 1   -4    2   68 o  547.941   7.0162  2050.53   52.097  2047.31   73.538  2053.77   73.817  547.514   9.9113  548.368   9.9335 -0.8540649 14.03240 
1 1 1   -4    2   69 o  178.992   6.7584  217.921   16.393  217.921   16.393   0.0000   0.0000  178.992   6.7584  ?   ?       ?      ? 
1 1 1   -4    2   70 o  299.184   6.2289  603.442   23.699  631.664   41.855  590.124   28.752  303.931   10.162  294.437   7.2059 9.494690 12.45774 
1 1 1   -4    2   71 o  225.162   5.9790  349.072   17.137  336.237   29.585  355.554   21.024  221.749   9.8451  228.576   6.7873 -6.827240 11.95801 
1 1 1   -4    2   72 o  420.951   5.9382  1209.26   33.874  1205.13   47.804  1213.42   48.007  420.231   8.3944  421.672   8.4014 -1.440796 11.87642 
1 1 1   -4    2   73 o  273.692   4.9947  510.242   18.523  521.244   26.390  499.559   26.005  276.604   7.0403  270.779   7.0868 5.824554 9.989458 
1 1 1   -4    2   74 o  158.692   4.9289  171.594   10.589  161.588   14.836  181.985   15.119  153.958   7.1109  163.425   6.8271 -9.467392 9.857700 
1 1 1   -4    2   75 o  250.316   4.9099  427.209   16.653  417.780   23.373  436.930   23.732  247.506   6.9685  253.127   6.9187 -5.620422 9.819773 
1 1 1   -4    2   76 o  152.413   6.0304  158.585   11.837  160.822   20.217  157.419   14.602  152.975   9.7525  151.851   7.0958 1.123749 12.06072 
1 1 1   -4    2   77 o   50.479   10.381   18.807   7.5397   13.627   12.705   21.624   9.3675   46.276   16.302   54.682   12.858 -8.406147 20.76210 
1 1 1   -4    2   78 o   84.205   6.4168   48.894   7.2954   53.677   10.323   44.121   10.312   88.391   8.6180   80.018   9.5096 8.372406 12.83361 
1 1 1   -4    2   79 o  125.480   6.2999  105.815   10.210  100.105   12.510  117.208   17.670  120.808   7.6413  130.153   10.018 -9.345688 12.59988 
1 1 1   -4    2   80 f  304.623   6.3383  638.795   24.686  634.927   30.241  646.521   42.738  304.184   7.3363  305.063   10.338 -0.8789368 12.67665 
1 1 1   -4    2   81 o   24.603   8.0850  -6.9800   6.3402  -3.7018   7.7231 -13.7561   11.104   24.357   10.999   24.848   11.853 -0.4904099 16.16998 
1 1 1   -4    2   82 o  146.463   5.0210  147.673   9.9560  153.329   13.983  141.857   14.179  149.368   6.9081  143.557   7.2884 5.810852 10.04202 
1 1 1   -4    2   83 o  189.751   4.8410  247.471   12.438  234.130   17.268  261.856   17.930  184.416   6.9096  195.087   6.7823 -10.67038 9.682031 
1 1 1   -4    2   84 o  116.372   6.5848   96.630   9.8113   88.494   16.447  101.125   12.225  111.836   10.852  120.909   7.4610 -9.073418 13.16965 
1 1 1   -4    2   85 o   75.741   6.6679   40.313   6.8430   39.427   9.6217   41.220   9.7342   74.884   9.4816   76.598   9.3778 -1.714256 13.33583 
1 1 1   -4    2   86 f   73.170   6.6978   37.750   6.6357   35.718   9.2243   39.929   9.5531   71.101   9.5736   75.240   9.3694 -4.139359 13.39552 
1 1 1   -4    2   87 o   53.720   8.0172   21.671   6.1161   8.0101   8.4996   36.339   8.8076   35.715   13.228   71.725   9.0616 -36.00998 16.03439 
1 1 1   -4    2   88 o   93.123   5.7806   60.994   7.2940   61.867   10.303   60.117   10.328   93.820   8.1035   92.426   8.2459 1.394737 11.56122 
1 1 1   -4    2   89 o  113.602   6.5081   91.445   9.4738   93.735   16.326   90.283   11.633  113.754   10.591  113.449   7.5664 0.3049698 13.01622 
1 1 1   -4    2   90 f   26.860   8.2397  -1.8837   6.1328 -13.9786   10.293   4.7728   7.6362   22.825   11.023   30.896   12.250 -8.071379 16.47942 
1 1 1   -4    2   91 o   92.103   7.0271   57.796   8.4167   75.257   14.638   49.171   10.287  101.427   10.650   82.778   9.1708 18.64913 14.05416 
1 1 1   -4    2   92 o   43.136   10.966   14.034   8.2427   11.209   11.617   16.899   11.698   40.272   15.346   45.999   15.669 -5.727474 21.93216 
1 1 1   -4    2   93 o  120.869   10.751  107.977   17.610  107.977   17.610   0.0000   0.0000  120.869   10.751  ?   ?       ?      ? 
1 1 1   -4    2   94 o   23.149   11.159 -13.0053   10.435 -13.0053   10.435   0.0000   0.0000   23.149   11.159  ?   ?       ?      ? 
1 1 1   -4    2   95 o   31.091   13.745   0.4521   11.401   0.4521   11.401   0.0000   0.0000   31.091   13.745  ?   ?       ?      ? 
1 1 1   -4    3    1 o  1213.01   16.524  9990.98  255.904 10031.86  444.163  9970.67  313.092  1214.23   26.994  1211.80   19.066 2.432007 33.04791 
1 1 1   -4    3    2 o  960.550   13.320  6318.79  164.788  6086.76  277.953  6444.55  204.629  946.517   21.670  974.583   15.494 -28.06659 26.63938 
1 1 1   -4    3    3 o  1199.82   16.360  9797.03  251.140  9745.54  433.061  9823.12  308.271  1196.83   26.701  1202.81   18.913 -5.987305 32.72084 
1 1 1   -4    3    4 o  674.536   9.6998  3099.21   83.957  3045.94  143.493  3126.93  103.528  669.990   15.804  679.083   11.250 -9.093079 19.39956 
1 1 1   -4    3    5 o  835.637   11.694  4725.95  124.693  4700.42  152.332  4777.78  217.077  832.451   13.504  838.822   19.097 -6.371460 23.38882 
1 1 1   -4    3    6 o  1088.20   17.218  8037.90  253.911  8037.90  253.911   0.0000   0.0000  1088.20   17.218  ?   ?       ?      ? 
1 1 1   -4    3    7 o  1195.50   13.306  9703.33  215.547  9816.62  307.246  9593.54  302.470  1202.36   18.857  1188.64   18.778 13.72900 26.61190 
1 1 1   -4    3    8 o  526.573   6.4990  1879.39   46.371  1851.53   65.053  1908.17   66.116  522.607   9.1856  530.539   9.1962 -7.931824 12.99791 
1 1 1   -4    3    9 o  731.835   10.428  3601.22   96.780  3726.41  171.473  3542.70  117.238  740.911   17.078  722.758   11.970 18.15350 20.85543 
1 1 1   -4    3   10 o  533.558   8.0630  1920.47   54.711  1959.79   96.100  1901.61   66.549  537.499   13.194  529.616   9.2725 7.883118 16.12607 
1 1 1   -4    3   11 o  305.888   4.6024  633.527   19.068  661.948   27.440  606.990   26.515  312.516   6.4794  299.261   6.5382 13.25507 9.204885 
1 1 1   -4    3   12 o  581.496   7.0442  2292.77   55.508  2292.02   78.479  2293.52   78.522  581.401   9.9608  581.592   9.9631 -0.1911621 14.08831 
1 1 1   -4    3   13 o  921.538   10.460  5763.65  130.626  5732.12  184.063  5795.65  185.410  919.000   14.780  924.076   14.806 -5.076477 20.92041 
1 1 1   -4    3   14 o  769.416   8.9065  4015.77   92.857  3964.35  130.238  4068.94  132.427  764.409   12.573  774.423   12.619 -10.01428 17.81310 
1 1 1   -4    3   15 o  202.949   3.9822  279.161   10.951  281.841   15.493  276.484   15.482  203.923   5.6065  201.975   5.6566 1.948120 7.964315 
1 1 1   -4    3   16 o  817.998   13.328  4541.70  147.597  4373.65  203.276  4729.09  214.657  802.044   18.703  833.952   18.994 -31.90833 26.65658 
1 1 1   -4    3   17 o  206.156   5.7173  288.575   15.946  297.069   22.136  279.413   22.990  209.318   7.8040  202.993   8.3574 6.325470 11.43453 
1 1 1   -4    3   18 o  682.570   9.8615  3168.67   86.187  3150.59  148.374  3177.87  105.883  680.834   16.082  684.305   11.418 -3.471130 19.72296 
1 1 1   -4    3   19 o  320.789   4.7602  697.643   20.693  703.635   29.362  691.730   29.167  322.157   6.7257  319.420   6.7382 2.737366 9.520375 
1 1 1   -4    3   20 o  596.847   7.2158  2416.94   58.359  2447.04   83.084  2387.62   81.990  600.515   10.210  593.179   10.200 7.335388 14.43167 
1 1 1   -4    3   21 o  425.989   5.6410  1230.56   32.562  1248.49   46.371  1213.12   45.734  429.049   7.9755  422.929   7.9797 6.120178 11.28204 
1 1 1   -4    3   22 o  953.172   10.826  6178.44  139.832  6149.63  197.121  6207.62  198.389  950.939   15.297  955.406   15.323 -4.466919 21.65152 
1 1 1   -4    3   23 o  241.127   4.2629  394.062   13.927  383.418   19.521  405.093   19.874  237.812   6.0575  244.443   5.9996 -6.630585 8.525778 
1 1 1   -4    3   24 o  853.163   9.7958  4945.47  113.239  4873.36  158.581  5020.49  161.756  846.826   13.819  859.501   13.888 -12.67529 19.59160 
1 1 1   -4    3   25 o  480.915   6.1468  1568.80   40.058  1560.38   56.480  1577.33   56.824  479.616   8.6899  482.213   8.6958 -2.596771 12.29360 
1 1 1   -4    3   26 o  617.437   7.4351  2586.82   62.208  2563.86   87.483  2610.29   88.476  614.667   10.503  620.206   10.527 -5.538330 14.87027 
1 1 1   -4    3   27 o  575.984   7.0472  2250.39   55.002  2278.67   78.371  2222.95   77.210  579.547   9.9790  572.420   9.9536 7.127258 14.09443 
1 1 1   -4    3   28 o  809.347   11.486  4480.09  119.292  4362.81  203.338  4541.64  147.306  800.815   18.737  817.880   13.291 -17.06512 22.97223 
1 1 1   -4    3   29 o  326.107   4.8806  720.707   21.565  705.988   30.207  736.006   30.796  322.712   6.9073  329.502   6.8970 -6.789673 9.761156 
1 1 1   -4    3   30 o  1146.11   12.843  8927.24  199.464  8842.94  280.248  9013.79  283.957  1140.63   18.131  1151.58   18.196 -10.95276 25.68689 
1 1 1   -4    3   31 o  425.940   6.9427  1230.32   37.878  1230.29   46.513  1230.38   65.266  425.991   8.0574  425.888   11.309 0.1037292 13.88548 
1 1 1   -4    3   32 o  360.625   5.1907  878.543   25.323  823.365   34.650  941.797   37.099  348.513   7.3368  372.736   7.3449 -24.22278 10.38148 
1 1 1   -4    3   33 o  858.222   9.8538  4998.06  114.592  4941.56  160.823  5056.33  163.320  853.299   13.908  863.146   13.963 -9.847229 19.70764 
1 1 1   -4    3   34 o  269.740   9.3334  493.355   34.117   0.0000   0.0000  493.355   34.117  ?   ?   269.740   9.3334      ?      ? 
1 1 1   -4    3   35 o  454.041   5.9705  1397.61   36.734  1391.03   51.675  1404.32   52.230  452.963   8.4185  455.120   8.4685 -2.156830 11.94099 
1 1 1   -4    3   36 o  326.258   4.9640  721.506   21.945  735.723   31.146  707.492   30.925  329.450   6.9764  323.066   7.0637 6.384338 9.928058 
1 1 1   -4    3   37 o  1082.12   17.250  7955.37  252.951   0.0000   0.0000  7955.37  252.951  ?   ?   1082.12   17.250      ?      ? 
1 1 1   -4    3   38 o  281.633   5.6841  534.188   20.481  548.516   35.602  527.101   25.040  284.409   9.2373  278.856   6.6262 5.552582 11.36813 
1 1 1   -4    3   39 o  346.764   5.1182  815.174   24.051  819.071   34.045  811.291   33.981  347.592   7.2278  345.937   7.2486 1.655182 10.23635 
1 1 1   -4    3   40 o  816.076   9.4509  4521.13  104.516  4543.73  148.189  4498.77  147.431  818.105   13.367  814.048   13.365 4.057007 18.90188 
1 1 1   -4    3   41 o  779.129   9.0930  4121.03   96.006  4114.92  135.478  4127.20  136.069  778.551   12.841  779.707   12.878 -1.156433 18.18602 
1 1 1   -4    3   42 o  373.990   7.5264  948.954   38.139  926.499   53.658  971.883   54.220  369.515   10.716  378.465   10.572 -8.949402 15.05282 
1 1 1   -4    3   43 o  603.110   9.0343  2474.97   69.747  2454.93  120.067  2485.19   85.687  601.042   14.741  605.177   10.448 -4.134583 18.06860 
1 1 1   -4    3   44 o  590.438   7.2657  2364.44   58.119  2310.30   81.072  2421.68   83.361  583.491   10.253  597.386   10.297 -13.89502 14.53131 
1 1 1   -4    3   45 o  354.465   6.4053  855.050   29.098  844.259   49.918  860.605   35.812  352.692   10.444  356.238   7.4183 -3.546539 12.81065 
1 1 1   -4    3   46 o  569.669   7.0696  2202.41   54.574  2226.39   77.555  2178.89   76.808  572.740   9.9924  566.597   10.003 6.143311 14.13919 
1 1 1   -4    3   47 o  186.350   4.4144  235.420   11.147  232.020   15.636  238.934   15.895  184.982   6.2374  187.717   6.2485 -2.735641 8.828896 
1 1 1   -4    3   48 o  217.079   6.3313  319.555   18.625  319.555   18.625   0.0000   0.0000  217.079   6.3313  ?   ?       ?      ? 
1 1 1   -4    3   49 o  402.022   6.8765  1111.56   35.588  1144.67   44.288  1051.22   59.788  410.724   7.9571  393.320   11.217 17.40387 13.75293 
1 1 1   -4    3   50 o  813.678   13.413  4506.38  147.895  4506.38  147.895   0.0000   0.0000  813.678   13.413  ?   ?       ?      ? 
1 1 1   -4    3   51 o  293.297   6.0481  583.588   22.466  582.744   27.279  585.365   39.604  293.074   6.8687  293.521   9.9567 -0.4462891 12.09611 
1 1 1   -4    3   52 o  319.070   5.0327  690.860   21.760  688.563   30.685  693.185   30.863  318.537   7.1087  319.603   7.1259 -1.066193 10.06537 
1 1 1   -4    3   53 o  663.684   7.9997  2997.19   71.947  2984.96  101.410  3009.59  102.091  662.324   11.299  665.043   11.328 -2.718933 15.99944 
1 1 1   -4    3   54 o  234.440   4.5957  372.489   14.590  354.106   20.250  392.332   21.038  228.430   6.5416  240.449   6.4567 -12.01840 9.191338 
1 1 1   -4    3   55 o  414.888   7.0763  1168.67   37.502  1177.48   65.076  1164.28   45.889  415.790   11.550  413.987   8.1797 1.803223 14.15269 
1 1 1   -4    3   56 o  235.309   4.6439  375.439   14.797  356.035   20.582  396.202   21.290  229.018   6.6317  241.600   6.5026 -12.58203 9.287837 
1 1 1   -4    3   57 o  173.202   4.5239  203.618   10.618  201.517   14.933  205.767   15.099  172.299   6.3958  174.106   6.3997 -1.807159 9.047749 
1 1 1   -4    3   58 o  514.498   6.6303  1801.13   46.227  1806.73   65.404  1795.53   65.347  515.300   9.3661  513.695   9.3872 1.605347 13.26061 
1 1 1   -4    3   59 o  357.930   5.3481  870.458   25.938  887.288   36.924  854.062   36.445  361.349   7.5406  354.512   7.5862 6.836395 10.69626 
1 1 1   -4    3   60 o  147.306   4.6979  147.264   9.3701  156.039   13.440  138.966   13.070  151.578   6.5432  143.035   6.7430 8.542953 9.395840 
1 1 1   -4    3   61 o  274.340   5.8646  503.971   20.582  536.078   36.065  488.463   25.065  280.551   9.4862  268.129   6.8983 12.42233 11.72922 
1 1 1   -4    3   62 o  260.400   4.8092  460.655   16.968  450.331   23.827  471.279   24.170  257.437   6.8300  263.362   6.7722 -5.925842 9.618318 
1 1 1   -4    3   63 o  601.826   7.4851  2471.37   61.038  2436.49   85.535  2507.57   87.129  597.509   10.564  606.144   10.607 -8.635315 14.97015 
1 1 1   -4    3   64 o  203.319   4.6715  280.753   12.867  270.815   17.960  291.231   18.442  199.622   6.6392  207.016   6.5738 -7.393875 9.343089 
1 1 1   -4    3   65 o  238.924   5.8425  397.290   17.900  417.571   22.325  360.786   29.952  247.856   6.6468  229.991   9.6103 17.86537 11.68494 
1 1 1   -4    3   66 o  180.201   6.5885  220.744   16.089  220.744   16.089   0.0000   0.0000  180.201   6.5885  ?   ?       ?      ? 
1 1 1   -4    3   67 o  325.408   5.2332  720.599   23.077  722.830   32.626  718.365   32.645  325.915   7.3872  324.902   7.4146 1.013428 10.46643 
1 1 1   -4    3   68 o   79.141   8.7444   47.427   8.3728   31.688   13.414   57.474   10.717   66.464   15.221   91.817   8.6130 -25.35343 17.48874 
1 1 1   -4    3   69 f  132.404   6.3653  117.150   10.704  112.782   12.927  126.676   19.090  128.709   7.4114  136.099   10.351 -7.390244 12.73066 
1 1 1   -4    3   70 o  159.577   5.0679  172.980   10.937  158.068   15.120  189.345   15.839  152.362   7.3228  166.791   7.0078 -14.42831 10.13575 
1 1 1   -4    3   71 o  402.655   7.1709  1114.20   36.916  1095.64   63.505  1123.67   45.369  399.430   11.732  405.879   8.2485 -6.448944 14.34177 
1 1 1   -4    3   72 o   88.352   6.3453   53.458   7.5616   59.789   10.751   47.260   10.638   93.580   8.4775   83.124   9.4436 10.45606 12.69054 
1 1 1   -4    3   73 o  319.932   5.2475  697.605   22.745  676.633   31.791  719.597   32.554  315.001   7.4474  324.863   7.3948 -9.861450 10.49505 
1 1 1   -4    3   74 o  168.943   4.9143  194.580   11.251  195.910   15.915  193.251   15.906  169.523   6.9279  168.362   6.9717 1.161026 9.828558 
1 1 1   -4    3   75 o  128.141   6.1517  108.174   10.235  127.290   17.695   98.561   12.547  136.178   9.5886  120.103   7.7094 16.07534 12.30345 
1 1 1   -4    3   76 o  168.553   4.9022  193.974   11.197  195.536   15.796  192.397   15.873  169.243   6.8875  167.863   6.9777 1.380539 9.804348 
1 1 1   -4    3   77 o  204.458   4.8365  285.046   13.382  265.110   18.520  306.828   19.358  196.967   6.9384  211.949   6.7400 -14.98213 9.673096 
1 1 1   -4    3   78 o  171.915   4.8917  201.813   11.383  189.016   15.770  215.735   16.448  166.215   7.0011  177.615   6.8337 -11.40021 9.783417 
1 1 1   -4    3   79 o  157.654   7.2328  170.369   15.452   0.0000   0.0000  170.369   15.452  ?   ?   157.654   7.2328      ?      ? 
1 1 1   -4    3   80 o   46.481   12.999   15.711   8.5075   15.711   8.5075   0.0000   0.0000   46.481   12.999  ?   ?       ?      ? 
1 1 1   -4    3   81 o   67.243   7.1862   31.496   6.5451   30.265   9.1083   32.811   9.4116   65.878   10.203   68.608   10.123 -2.730110 14.37244 
1 1 1   -4    3   82 o   81.777   6.4761   47.210   7.0309   56.956   9.8455   37.067   10.044   90.772   8.0039   72.783   10.183 17.98895 12.95224 
1 1 1   -4    3   83 o  100.704   5.6531   70.431   7.6881   76.757   10.847   64.045   10.898  105.367   7.5967   96.041   8.3738 9.326004 11.30621 
1 1 1   -4    3   84 o   37.691   9.3292   9.0904   5.9980   12.691   8.6864   5.8093   8.2923   41.958   13.474   33.424   12.907 8.533466 18.65846 
1 1 1   -4    3   85 o   94.464   7.1209   63.049   8.6400   63.475   14.762   62.827   10.656   94.056   11.582   94.872   8.2883 -0.8152313 14.24189 
1 1 1   -4    3   86 o   57.946   8.3099   25.034   6.3018   21.865   8.8377   28.311   8.9886   53.874   12.367   62.018   11.103 -8.143612 16.61972 
1 1 1   -4    3   87 o   80.834   6.3429   46.196   6.9479   46.113   9.8554   46.278   9.7965   80.748   9.0066   80.920   8.9337 -0.1719208 12.68585 
1 1 1   -4    3   88 o  118.958   6.5784  102.720   9.9730   94.329   16.844  107.250   12.375  114.071   10.896  123.846   7.3739 -9.774284 13.15688 
1 1 1   -4    3   89 o   77.541   8.9687   49.448   8.2168   33.692   13.781   58.140   10.235   64.424   15.885   90.657   8.3313 -26.23208 17.93730 
1 1 1   -4    3   90 o  146.526   6.3855  158.916   11.823  136.023   19.825  171.551   14.728  136.471   10.720  156.582   6.9411 -20.11090 12.77106 
1 1 1   -4    3   91 o   77.891   9.0372   50.945   8.3551   31.947   13.576   62.529   10.601   62.035   16.033   93.746   8.3443 -31.71132 18.07431 
1 1 1   -4    3   92 o   95.904   11.660   68.762   15.153   68.762   15.153   0.0000   0.0000   95.904   11.660  ?   ?       ?      ? 
1 1 1   -4    3   93 o   83.161   12.954   53.177   14.598   53.177   14.598   0.0000   0.0000   83.161   12.954  ?   ?       ?      ? 
1 1 1   -4    3   94 o   50.266   16.385   21.650   12.816   21.650   12.816   0.0000   0.0000   50.266   16.385  ?   ?       ?      ? 
1 1 1   -4    3   95 o   88.354   12.671   60.773   15.172   60.773   15.172   0.0000   0.0000   88.354   12.671  ?   ?       ?      ? 
1 1 1   -4    4    1 f  495.891   6.2229  1667.14   41.818  1669.70   59.149  1664.59   59.129  496.272   8.7952  495.511   8.8057 0.7608643 12.44571 
1 1 1   -4    4    2 o  1067.57   11.979  7732.80  173.230  7945.73  249.348  7534.14  240.842  1081.76   17.010  1053.39   16.872 28.37207 23.95793 
1 1 1   -4    4    3 o  495.333   6.2256  1662.47   41.777  1622.30   58.258  1704.99   59.941  489.177   8.7883  501.488   8.8203 -12.31055 12.45113 
1 1 1   -4    4    4 o  455.143   5.8557  1404.31   36.117  1411.45   51.198  1397.24   50.956  456.295   8.2800  453.992   8.2826 2.302887 11.71147 
1 1 1   -4    4    5 o  941.543   10.661  6016.85  136.019  6035.48  192.697  5998.36  192.024  942.995   15.079  940.092   15.073 2.903381 21.32103 
1 1 1   -4    4    6 o  1325.85   18.016 11776.92  301.172 11457.24  362.116 12494.26  542.435  1298.27   20.583  1353.43   29.575 -55.16504 36.03255 
1 1 1   -4    4    7 o  923.748   12.861  5815.93  152.414  5856.88  187.822  5736.97  260.810  928.917   14.921  918.578   20.952 10.33899 25.72183 
1 1 1   -4    4    8 o  818.050   9.3933  4539.88  104.119  4604.89  148.592  4477.16  145.938  823.801   13.310  812.300   13.258 11.50104 18.78650 
1 1 1   -4    4    9 o  786.851   9.0819  4200.74   96.837  4226.63  137.451  4175.22  136.452  789.258   12.851  784.445   12.836 4.813232 18.16378 
1 1 1   -4    4   10 o  598.838   7.2283  2431.56   58.652  2395.15   82.262  2469.21   83.648  594.279   10.215  603.396   10.230 -9.117004 14.45653 
1 1 1   -4    4   11 o  585.111   7.0825  2321.57   56.154  2295.27   78.866  2348.60   79.973  581.752   10.004  588.470   10.029 -6.718445 14.16509 
1 1 1   -4    4   12 o  181.267   4.6718  223.691   10.915  219.603   18.478  225.882   13.528  179.977   7.5762  182.557   5.4683 -2.580063 9.343522 
1 1 1   -4    4   13 o  619.078   9.0623  2598.81   71.715  2609.43  124.190  2593.49   87.841  619.844   14.785  618.312   10.483 1.533020 18.12460 
1 1 1   -4    4   14 o  459.211   8.3798  1430.98   52.139  1467.34   74.160  1395.44   73.317  464.983   11.769  453.438   11.932 11.54474 16.75957 
1 1 1   -4    4   15 o  263.005   5.2867  470.470   17.890  464.339   30.440  473.705   22.111  261.663   8.5847  264.347   6.1725 -2.684296 10.57337 
1 1 1   -4    4   16 o  515.441   6.4461  1802.01   45.023  1819.99   64.028  1784.43   63.324  517.983   9.1216  512.898   9.1107 5.084534 12.89218 
1 1 1   -4    4   17 o  523.013   6.5180  1855.62   46.195  1844.04   65.093  1867.36   65.570  521.370   9.2131  524.656   9.2225 -3.285583 13.03590 
1 1 1   -4    4   18 o  327.477   4.8302  726.934   21.432  744.022   30.587  710.453   30.039  331.257   6.8138  323.697   6.8480 7.560059 9.660344 
1 1 1   -4    4   19 o  137.518   3.8664  128.204   7.2040  125.282   10.174  131.143   10.202  135.945   5.5227  139.090   5.4125 -3.144745 7.732745 
1 1 1   -4    4   20 o  420.993   5.6103  1202.00   32.006  1213.15   45.484  1191.07   45.046  422.927   7.9361  419.059   7.9322 3.867462 11.22059 
1 1 1   -4    4   21 o  268.025   4.4355  487.041   16.110  488.716   22.842  485.384   22.725  268.483   6.2782  267.566   6.2674 0.9165955 8.871099 
1 1 1   -4    4   22 o  824.967   9.5078  4622.38  106.270  4536.28  148.474  4712.83  152.170  817.099   13.409  832.835   13.483 -15.73615 19.01552 
1 1 1   -4    4   23 o  676.052   8.0097  3102.51   73.379  3083.68  103.400  3121.63  104.152  673.986   11.321  678.119   11.334 -4.132813 16.01944 
1 1 1   -4    4   24 o  291.203   4.6093  574.761   18.187  587.608   25.941  562.343   25.504  294.403   6.5022  288.004   6.5348 6.399384 9.218573 
1 1 1   -4    4   25 o  237.114   4.2876  380.899   13.770  364.555   19.240  398.065   19.718  231.901   6.1222  242.327   6.0044 -10.42604 8.575238 
1 1 1   -4    4   26 o  654.426   9.5953  2923.01   80.434  2861.43  137.811  2954.83   99.057  648.941   15.671  659.910   11.077 -10.96912 19.19053 
1 1 1   -4    4   27 o  815.566   9.4163  4515.15  104.070  4509.83  147.068  4520.48  147.285  815.086   13.315  816.047   13.319 -0.9607544 18.83266 
1 1 1   -4    4   28 o  794.958   9.2121  4287.80   99.226  4221.97  138.929  4356.35  141.767  788.733   12.998  801.182   13.058 -12.44861 18.42412 
1 1 1   -4    4   29 o  1345.59   14.970 12316.98  272.966 12409.45  387.804 12226.17  384.284  1350.59   21.189  1340.59   21.153 10.00183 29.94025 
1 1 1   -4    4   30 o  349.568   6.1679  825.223   27.605  818.558   33.814  838.540   47.797  347.497   7.1806  351.638   10.031 -4.140961 12.33588 
1 1 1   -4    4   31 o  486.132   7.6762  1634.27   48.293  1717.98   60.839  1491.69   79.401  503.370   8.9190  468.895   12.496 34.47482 15.35236 
1 1 1   -4    4   32 o  364.655   6.4641  899.433   29.901  895.442   36.332  907.809   52.639  363.449   7.3766  365.861   10.617 -2.411774 12.92819 
1 1 1   -4    4   33 o  363.195   6.4142  884.140   29.475  866.376   35.597  922.878   52.567  357.502   7.3477  368.888   10.516 -11.38580 12.82832 
1 1 1   -4    4   34 o  467.070   6.0793  1478.80   38.475  1503.45   54.837  1454.91   53.996  470.902   8.5934  463.238   8.6016 7.664185 12.15865 
1 1 1   -4    4   35 o  435.060   5.8120  1283.22   34.265  1279.29   48.303  1287.21   48.615  434.389   8.2057  435.731   8.2332 -1.342316 11.62403 
1 1 1   -4    4   36 o  517.024   6.5455  1811.25   45.842  1760.39   63.753  1865.70   65.964  509.516   9.2333  524.533   9.2800 -15.01633 13.09093 
1 1 1   -4    4   37 o  485.062   8.8042  1596.60   57.872  1600.32   82.064  1592.92   81.624  485.622   12.470  484.501   12.432 1.120972 17.60847 
1 1 1   -4    4   38 o  587.716   10.158  2345.02   80.896  2309.58  113.582  2381.51  115.245  583.209   14.372  592.223   14.360 -9.014221 20.31624 
1 1 1   -4    4   39 o  250.787   4.5648  426.297   15.512  419.261   21.815  433.494   22.062  248.694   6.4731  252.880   6.4380 -4.186691 9.129578 
1 1 1   -4    4   40 o  565.737   7.0132  2168.83   53.737  2097.79   74.517  2245.80   77.565  556.097   9.8883  575.377   9.9479 -19.27911 14.02633 
1 1 1   -4    4   41 o  258.349   4.6234  452.367   16.184  443.514   22.681  461.550   23.100  255.775   6.5438  260.924   6.5331 -5.149155 9.246744 
1 1 1   -4    4   42 o  303.155   6.8989  623.113   28.342  623.113   28.342   0.0000   0.0000  303.155   6.8989  ?   ?       ?      ? 
1 1 1   -4    4   43 o  403.025   6.8783  1095.16   35.279  1122.10   61.938  1082.22   42.922  406.578   11.242  399.471   7.9290 7.107056 13.75653 
1 1 1   -4    4   44 o  249.740   5.7082  430.746   18.235  398.969   30.863  447.788   22.602  242.489   9.3922  256.990   6.4901 -14.50081 11.41644 
1 1 1   -4    4   45 o  654.626   7.8758  2909.81   69.866  2910.97   98.732  2908.65   98.881  654.758   11.127  654.494   11.149 0.2636108 15.75156 
1 1 1   -4    4   46 o  261.460   4.6745  463.408   16.559  452.963   23.171  474.313   23.675  258.449   6.6157  264.470   6.6058 -6.020905 9.349062 
1 1 1   -4    4   47 f  356.559   5.2730  862.343   25.477  876.427   36.206  848.529   35.856  359.444   7.4330  353.674   7.4813 5.769684 10.54609 
1 1 1   -4    4   48 o  316.080   4.9961  677.662   21.399  672.768   30.079  682.676   30.449  314.925   7.0481  317.234   7.0829 -2.308807 9.992155 
1 1 1   -4    4   49 o  259.853   6.6029  458.026   23.251  458.026   23.251   0.0000   0.0000  259.853   6.6029  ?   ?       ?      ? 
1 1 1   -4    4   50 o  471.856   6.2347  1509.44   39.832  1451.11   54.977  1573.88   57.791  462.281   8.7760  481.431   8.8581 -19.14960 12.46935 
1 1 1   -4    4   51 o  310.896   4.9855  655.782   21.001  670.918   29.913  641.068   29.493  314.435   7.0201  307.357   7.0809 7.078308 9.971013 
1 1 1   -4    4   52 o  207.384   4.5199  291.697   12.699  282.102   17.786  301.674   18.137  203.904   6.4367  210.863   6.3472 -6.959015 9.039835 
1 1 1   -4    4   53 o  677.780   8.1463  3127.07   74.816  3088.30  104.952  3167.12  106.680  673.516   11.499  682.044   11.542 -8.527405 16.29264 
1 1 1   -4    4   54 o  244.974   4.6644  407.292   15.482  417.223   21.985  397.523   21.806  247.940   6.5434  242.009   6.6491 5.930862 9.328805 
1 1 1   -4    4   55 o  232.346   5.6489  364.167   16.795  374.594   29.191  359.008   20.534  234.716   9.1775  229.976   6.5887 4.739944 11.29770 
1 1 1   -4    4   56 o  372.434   5.4562  941.743   27.529  971.951   39.482  913.164   38.403  378.244   7.7028  366.623   7.7296 11.62045 10.91236 
1 1 1   -4    4   57 o  107.045   5.0846   77.824   7.3585   70.892   10.285   85.092   10.532  102.154   7.4300  111.936   6.9432 -9.782501 10.16918 
1 1 1   -4    4   58 o  262.390   4.7586  466.924   16.906  441.596   23.462  494.277   24.382  254.993   6.7898  269.786   6.6691 -14.79257 9.517255 
1 1 1   -4    4   59 o  283.606   6.0209  556.206   21.958  517.292   36.792  577.733   27.365  275.586   9.8518  291.626   6.9245 -16.03973 12.04189 
1 1 1   -4    4   60 o  215.293   5.5502  305.134   15.318  345.772   27.077  286.008   18.576  225.395   8.8650  205.191   6.6806 20.20355 11.10043 
1 1 1   -4    4   61 o   60.675   7.3457   25.541   5.8946   23.444   8.3317   27.642   8.3408   57.658   11.066   63.691   9.6637 -6.033054 14.69141 
1 1 1   -4    4   62 f  275.861   4.8743  517.083   18.219  506.794   25.568  527.698   25.969  273.071   6.9093  278.650   6.8772 -5.578766 9.748579 
1 1 1   -4    4   63 o  350.188   5.3459  834.022   25.368  825.108   35.629  843.187   36.127  348.292   7.5487  352.083   7.5718 -3.791016 10.69185 
1 1 1   -4    4   64 o   94.276   7.1418   59.027   8.3800   56.677   9.9441   64.787   15.565   91.249   8.0418   97.302   11.805 -6.053078 14.28350 
1 1 1   -4    4   65 o  176.144   6.5923  210.910   15.736  210.910   15.736   0.0000   0.0000  176.144   6.5923  ?   ?       ?      ? 
1 1 1   -4    4   66 o  295.135   6.0454  579.248   22.741  553.181   27.512  635.473   40.405  285.165   7.1194  305.106   9.7725 -19.94174 12.09081 
1 1 1   -4    4   67 o  256.294   4.9006  446.738   17.013  465.378   24.245  428.655   23.879  261.573   6.8398  251.015   7.0200 10.55815 9.801157 
1 1 1   -4    4   68 o  311.124   5.1491  658.864   21.709  659.218   30.655  658.507   30.748  311.210   7.2689  311.037   7.2950 0.1729431 10.29825 
1 1 1   -4    4   69 o  187.039   4.8015  238.028   12.170  236.548   17.200  239.512   17.221  186.455   6.8074  187.623   6.7731 -1.168076 9.602915 
1 1 1   -4    4   70 o  343.245   5.3875  802.694   25.058  791.657   35.266  813.949   35.612  340.858   7.6347  345.632   7.6034 -4.773682 10.77499 
1 1 1   -4    4   71 f  228.937   5.9767  355.599   17.422  364.085   30.533  351.503   21.214  230.667   9.7678  227.206   6.8901 3.460342 11.95343 
1 1 1   -4    4   72 o  159.530   5.9458  170.073   12.204  185.638   21.244  162.405   14.910  164.684   9.5192  154.377   7.1272 10.30618 11.89168 
1 1 1   -4    4   73 o  122.743   7.6191  103.954   12.608  108.618   17.239   98.591   18.488  125.819   10.111  119.668   11.400 6.150368 15.23824 
1 1 1   -4    4   74 o  160.947   7.1768  178.959   15.563  195.725   21.664  161.083   22.371  168.925   9.4638  152.970   10.792 15.95543 14.35360 
1 1 1   -4    4   75 o  299.788   5.1740  611.720   20.970  673.279   30.617  557.321   28.781  313.983   7.1956  285.592   7.4367 28.39163 10.34800 
1 1 1   -4    4   76 o  136.660   5.1242  127.664   9.4889  126.673   13.317  128.686   13.524  136.126   7.2194  137.193   7.2740 -1.067795 10.24843 
1 1 1   -4    4   77 o  306.570   5.2150  643.359   21.664  637.376   30.415  649.520   30.865  305.132   7.3555  308.008   7.3948 -2.876251 10.43009 
1 1 1   -4    4   78 o  188.973   6.9011  244.433   17.673  244.433   17.673   0.0000   0.0000  188.973   6.9011  ?   ?       ?      ? 
1 1 1   -4    4   79 o  205.960   6.0523  288.357   15.689  281.527   18.862  303.692   28.263  202.693   6.8668  209.227   9.9682 -6.534439 12.10450 
1 1 1   -4    4   80 o  190.172   5.7933  243.645   14.133  232.088   17.210  267.579   24.767  183.898   6.9060  196.446   9.3036 -12.54791 11.58663 
1 1 1   -4    4   81 f  152.280   5.0086  159.946   10.305  171.145   14.422  148.263   14.729  157.849   6.7421  146.712   7.4086 11.13684 10.01716 
1 1 1   -4    4   82 o   69.926   6.7650   34.122   6.4062   33.195   8.8653   35.135   9.2675   68.950   9.4880   70.902   9.6455 -1.951538 13.52991 
1 1 1   -4    4   83 o   49.896   8.8057   18.494   5.9611   15.969   8.3424   21.128   8.5209   46.367   12.838   53.426   12.056 -7.059689 17.61145 
1 1 1   -4    4   84 o   70.400   6.9770   34.985   6.6096   29.943   9.2113   40.336   9.4896   64.995   10.458   75.804   9.2379 -10.80885 13.95399 
1 1 1   -4    4   85 o   76.491   7.9048   39.531   7.9092   51.985   13.531   33.067   9.7481   84.881   11.763   68.101   10.563 16.78081 15.80966 
1 1 1   -4    4   86 o  119.944   6.5198  101.510   10.027  102.599   17.209  100.950   12.337  119.603   10.618  120.285   7.5688 -0.6820755 13.03951 
1 1 1   -4    4   87 o  123.302   6.7274  113.982   10.373   90.550   17.288  127.162   12.966  111.525   11.439  135.080   7.0832 -23.55502 13.45477 
1 1 1   -4    4   88 o   59.562   9.8910   27.249   7.4951   29.457   13.086   26.172   9.1434   60.332   15.814   58.792   11.885 1.539154 19.78200 
1 1 1   -4    4   89 o   56.770   9.9700   25.171   7.3568   26.632   12.608   24.416   9.0589   57.108   15.771   56.432   12.201 0.6755638 19.93993 
1 1 1   -4    4   90 o   46.979   11.398   17.468   9.0243   22.164   12.233   11.861   13.367   51.956   15.894   42.003   16.341 9.952637 22.79568 
1 1 1   -4    4   91 o   52.205   11.508   22.425   8.9628   19.925   11.871   25.740   13.669   49.294   15.742   55.115   16.789 -5.820297 23.01525 
1 1 1   -4    4   92 o   56.052   10.994   24.694   9.3563   12.082   12.438   41.134   14.200   41.283   15.843   70.821   15.248 -29.53738 21.98857 
1 1 1   -4    4   93 o   70.916   14.909   41.278   13.873   41.278   13.873   0.0000   0.0000   70.916   14.909  ?   ?       ?      ? 
1 1 1   -4    4   94 o   53.596   16.831   25.323   13.617   25.323   13.617   0.0000   0.0000   53.596   16.831  ?   ?       ?      ? 
1 1 1   -4    4   95 o   32.359   14.178   2.0141   11.882   2.0141   11.882   0.0000   0.0000   32.359   14.178  ?   ?       ?      ? 
1 1 1   -4    4   96 o   60.001   16.614   32.758   13.970   32.758   13.970   0.0000   0.0000   60.001   16.614  ?   ?       ?      ? 
1 1 1   -4    5    1 o  216.336   4.0575  317.087   11.892  308.586   16.629  325.986   17.014  213.369   5.7510  219.303   5.7252 -5.933289 8.114921 
1 1 1   -4    5    2 o  519.042   7.9701  1845.07   53.085  1774.03   90.196  1882.72   65.661  511.203   13.020  526.880   9.1963 -15.67676 15.94029 
1 1 1   -4    5    3 f  229.750   5.1482  359.802   15.074  352.132   26.093  363.645   18.468  227.878   8.4495  231.621   5.8839 -3.742798 10.29630 
1 1 1   -4    5    4 o  323.200   4.7941  708.117   20.996  705.916   29.524  710.369   29.864  322.692   6.7516  323.707   6.8080 -1.014801 9.588162 
1 1 1   -4    5    5 o  896.873   14.450  5463.32  175.620  5463.32  175.620   0.0000   0.0000  896.873   14.450  ?   ?       ?      ? 
1 1 1   -4    5    6 o  441.034   5.7731  1318.66   34.499  1299.70   48.307  1338.40   49.286  437.800   8.1424  444.268   8.1865 -6.467987 11.54628 
1 1 1   -4    5    7 o  502.734   7.2489  1700.70   42.727  1687.01   49.219  1742.58   86.074  498.819   7.2813  506.649   12.537 -7.829773 14.49779 
1 1 1   -4    5    8 o  685.388   9.3461  3236.51   76.114  3288.77   88.838  3092.26  147.593  696.309   9.4149  674.468   16.148 21.84088 18.69228 
1 1 1   -4    5    9 o  374.173   5.9356  943.783   26.181  937.983   30.255  961.075   52.237  371.981   6.0020  376.365   10.242 -4.384064 11.87117 
1 1 1   -4    5   10 o  412.019   6.7129  1155.11   35.473  1162.53   43.689  1140.77   60.767  414.046   7.7865  409.992   10.937 4.054016 13.42589 
1 1 1   -4    5   11 o  489.001   7.5972  1600.52   46.987  1562.28   56.683  1684.51   84.008  479.927   8.7155  498.075   12.446 -18.14828 15.19447 
1 1 1   -4    5   12 o  696.775   10.059  3277.01   88.995  3236.55  108.038  3362.41  156.962  690.476   11.546  703.075   16.474 -12.59943 20.11784 
1 1 1   -4    5   13 o  497.204   6.2877  1676.96   42.364  1687.38   60.091  1666.67   59.735  498.740   8.8910  495.669   8.8932 3.070221 12.57530 
1 1 1   -4    5   14 o  508.845   6.3896  1754.28   44.031  1687.48   60.972  1827.08   63.652  498.736   9.0215  518.954   9.0511 -20.21817 12.77925 
1 1 1   -4    5   15 o  668.474   7.9220  3033.53   71.760  3008.61  100.990  3058.95  101.986  665.703   11.195  671.246   11.212 -5.543091 15.84390 
1 1 1   -4    5   17 o  222.938   4.1803  336.906   12.626  326.967   17.755  347.076   17.959  219.611   5.9659  226.265   5.8571 -6.654480 8.360527 
1 1 1   -4    5   18 o  713.991   8.3841  3461.27   81.116  3423.47  113.984  3500.06  115.460  710.043   11.846  717.939   11.868 -7.896057 16.76818 
1 1 1   -4    5   19 o  420.001   5.6148  1196.20   31.955  1179.10   44.889  1213.77   45.499  416.958   7.9445  423.045   7.9366 -6.087524 11.22957 
1 1 1   -4    5   20 o  561.065   6.8950  2135.34   52.417  2171.06   74.839  2100.94   73.440  565.669   9.7629  556.461   9.7390 9.207886 13.78997 
1 1 1   -4    5   21 o  260.498   4.4130  459.917   15.576  471.266   22.211  448.936   21.849  263.660   6.2165  257.336   6.2653 6.323547 8.826071 
1 1 1   -4    5   22 o  642.365   7.6885  2797.77   66.900  2717.99   93.023  2883.24   96.282  632.889   10.846  651.840   10.900 -18.95087 15.37691 
1 1 1   -4    5   23 o  696.060   10.092  3290.69   89.627  3290.11  155.608  3290.98  109.641  695.738   16.505  696.382   11.618 -0.6444092 20.18375 
1 1 1   -4    5   24 o  725.150   10.448  3556.29   96.378  3614.45  168.988  3528.26  117.332  729.240   17.100  721.060   12.008 8.180054 20.89510 
1 1 1   -4    5   25 o  940.609   10.706  6003.51  136.412  6175.93  196.440  5842.94  189.574  953.633   15.201  927.584   15.081 26.04883 21.41291 
1 1 1   -4    5   26 o  1083.45   12.183  7975.27  178.865  7949.18  252.386  8001.59  253.526  1081.67   17.218  1085.22   17.239 -3.556519 24.36517 
1 1 1   -4    5   27 o  742.861   8.6979  3741.64   87.529  3649.55  121.833  3839.88  125.833  733.424   12.258  752.298   12.343 -18.87415 17.39581 
1 1 1   -4    5   28 o  827.864   11.720  4714.30  125.353  4862.23  156.712  4451.52  208.872  846.437   13.662  809.291   19.046 37.14594 23.43911 
1 1 1   -4    5   29 o  1076.54   14.863  7959.85  206.221  8143.59  256.524  7624.15  346.733  1094.92   17.289  1058.16   24.180 36.76855 29.72520 
1 1 1   -4    5   30 o  392.630   6.7478  1049.26   33.751  1056.99   41.296  1033.72   58.571  394.866   7.7175  390.394   11.071 4.472839 13.49567 
1 1 1   -4    5   31 f  1536.86   20.900 16176.92  411.277 16293.51  505.964 15949.84  706.104  1546.92   24.136  1526.81   34.127 20.11902 41.79987 
1 1 1   -4    5   32 o  507.434   9.1289  1745.91   62.774  1745.91   62.774   0.0000   0.0000  507.434   9.1289  ?   ?       ?      ? 
1 1 1   -4    5   33 o  641.054   10.865  2787.62   94.339  2699.82  131.008  2882.20  135.961  630.582   15.331  651.527   15.399 -20.94452 21.72968 
1 1 1   -4    5   34 o  297.567   5.8052  599.859   22.215  601.825   37.996  598.838   27.382  297.908   9.4119  297.226   6.7984 0.6824646 11.61043 
1 1 1   -4    5   35 o  208.728   4.3693  295.285   12.358  291.079   17.400  299.567   17.556  207.228   6.1960  210.228   6.1623 -3.000214 8.738636 
1 1 1   -4    5   36 o  308.168   5.9085  634.482   23.266  672.042   40.838  616.432   28.310  314.787   9.5734  301.550   6.9278 13.23752 11.81707 
1 1 1   -4    5   37 o  569.316   8.6142  2192.86   62.615  2220.17  108.913  2179.37   76.525  571.803   14.056  566.830   9.9625 4.972839 17.22831 
1 1 1   -4    5   38 o  435.810   5.8817  1287.93   34.735  1284.21   48.959  1291.70   49.290  435.176   8.3020  436.444   8.3338 -1.267242 11.76334 
1 1 1   -4    5   39 f  301.612   4.8710  616.674   19.908  609.566   27.959  623.982   28.352  299.850   6.8808  303.375   6.8964 -3.524536 9.741975 
1 1 1   -4    5   40 o  502.875   6.4470  1715.31   43.933  1703.64   61.903  1727.16   62.361  501.152   9.1151  504.599   9.1198 -3.446991 12.89397 
1 1 1   -4    5   41 o  808.829   11.537  4444.22  119.024  4464.48  206.989  4434.21  145.482  809.695   18.864  807.963   13.287 1.731873 23.07415 
1 1 1   -4    5   42 o  228.915   5.5668  354.569   16.267  357.851   28.285  352.947   19.885  229.669   9.0882  228.161   6.4314 1.507797 11.13363 
1 1 1   -4    5   43 f  400.232   5.5955  1086.00   30.341  1118.59   43.402  1054.86   42.431  406.103   7.8867  394.362   7.9397 11.74091 11.19101 
1 1 1   -4    5   44 o  370.425   5.3637  930.211   26.917  908.586   37.556  953.055   38.599  366.000   7.5720  374.849   7.5987 -8.848267 10.72732 
1 1 1   -4    5   45 o  594.131   7.3053  2396.74   58.816  2384.99   82.834  2408.68   83.526  592.665   10.314  595.596   10.349 -2.931030 14.61060 
1 1 1   -4    5   46 o  397.890   5.5882  1073.07   30.116  1118.41   43.362  1030.81   41.857  406.004   7.8813  389.776   7.9245 16.22754 11.17645 
1 1 1   -4    5   47 o  464.398   7.5849  1464.29   44.783  1462.32   54.575  1468.33   78.352  464.144   8.6768  464.653   12.443 -0.5088806 15.16990 
1 1 1   -4    5   48 o  257.479   6.6188  449.718   23.094  449.718   23.094   0.0000   0.0000  257.479   6.6188  ?   ?       ?      ? 
1 1 1   -4    5   49 o  452.000   7.3651  1387.84   42.650  1386.19   52.375  1391.10   73.481  451.831   8.5540  452.168   11.992 -0.3372803 14.73027 
1 1 1   -4    5   50 o  537.007   6.8149  1959.09   49.586  1926.34   69.376  1993.30   70.898  532.423   9.6154  541.591   9.6601 -9.167908 13.62987 
1 1 1   -4    5   51 o  301.739   4.9375  617.653   20.184  600.486   28.223  635.627   28.878  297.448   7.0017  306.030   6.9635 -8.582520 9.874903 
1 1 1   -4    5   52 o  429.455   5.8926  1252.29   34.285  1223.64   47.890  1282.42   49.106  424.418   8.3267  434.491   8.3401 -10.07278 11.78520 
1 1 1   -4    5   54 o  388.858   5.6052  1024.97   29.504  1084.42   42.916  971.687   40.627  399.526   7.9268  378.189   7.9272 21.33725 11.21044 
1 1 1   -4    5   55 o  406.186   7.0177  1128.95   36.534  1103.99   62.486  1141.91   45.034  402.458   11.457  409.915   8.1070 -7.457977 14.03543 
1 1 1   -4    5   56 o  398.802   5.6697  1080.00   30.627  1044.96   42.577  1117.58   44.090  392.105   8.0130  405.499   8.0235 -13.39410 11.33950 
1 1 1   -4    5   57 o  472.796   6.3150  1520.34   40.453  1545.38   57.880  1496.43   56.563  476.594   8.9618  468.999   8.8997 7.594910 12.63004 
1 1 1   -4    5   58 o  153.188   5.5896  157.236   11.020  166.846   19.063  152.412   13.505  156.577   8.9841  149.800   6.6528 6.777496 11.17922 
1 1 1   -4    5   59 o  245.052   4.7272  407.652   15.682  434.269   22.480  382.419   21.887  252.851   6.5606  237.254   6.8076 15.59694 9.454306 
1 1 1   -4    5   60 o   63.786   6.8729   27.736   5.9313   25.730   8.3299   29.798   8.4476   61.436   10.005   66.137   9.4256 -4.700573 13.74585 
1 1 1   -4    5   61 o  306.875   5.0543  639.945   21.013  661.812   30.010  618.914   29.431  312.023   7.0974  301.728   7.1979 10.29578 10.10855 
1 1 1   -4    5   62 o  425.148   5.9204  1228.53   34.081  1292.35   49.326  1170.23   47.144  435.701   8.3542  414.595   8.3911 21.10568 11.84075 
1 1 1   -4    5   63 o  162.915   5.9151  177.466   12.118  172.211   14.529  189.475   21.964  159.166   6.7361  166.663   9.7251 -7.496246 11.83013 
1 1 1   -4    5   64 o  322.628   5.2012  705.865   22.703  660.885   31.124  757.011   33.189  311.677   7.3691  333.579   7.3420 -21.90240 10.40234 
1 1 1   -4    5   65 o  226.297   5.7748  355.212   16.809  370.662   20.988  327.571   28.073  233.487   6.6331  219.107   9.4549 14.38011 11.54958 
1 1 1   -4    5   66 o  193.954   5.6738  255.075   14.243  252.354   17.649  260.155   24.117  192.626   6.7612  195.282   9.1134 -2.656082 11.34756 
1 1 1   -4    5   67 o  296.296   5.0619  596.897   20.315  574.340   28.250  621.051   29.234  290.502   7.1762  302.091   7.1411 -11.58875 10.12387 
1 1 1   -4    5   68 o  173.668   4.7675  205.195   11.220  207.175   15.901  203.232   15.833  174.504   6.7241  172.831   6.7604 1.672684 9.534986 
1 1 1   -4    5   69 o  196.614   4.7804  262.964   12.730  275.141   18.197  251.292   17.816  201.081   6.6780  192.148   6.8421 8.932846 9.560845 
1 1 1   -4    5   70 f  286.849   5.0658  560.356   19.689  570.938   28.072  550.111   27.623  289.515   7.1552  284.182   7.1728 5.333313 10.13150 
1 1 1   -4    5   71 o  130.366   6.5540  120.696   10.703  103.932   18.426  129.232   13.149  123.011   11.054  137.722   7.0454 -14.71102 13.10808 
1 1 1   -4    5   72 o  183.993   5.8977  232.246   13.904  228.505   23.822  234.179   17.124  182.606   9.6266  185.380   6.8163 -2.774017 11.79547 
1 1 1   -4    5   73 o  209.739   5.8511  297.503   15.720  311.057   27.352  290.817   19.209  212.965   9.4777  206.513   6.8639 6.451935 11.70214 
1 1 1   -4    5   74 o  208.198   4.8846  294.918   13.739  264.133   18.915  329.296   19.989  196.691   7.0966  219.705   6.7138 -23.01334 9.769180 
1 1 1   -4    5   75 o  172.124   4.8758  202.335   11.372  197.981   16.006  206.774   16.159  170.246   6.9378  174.003   6.8528 -3.756653 9.751605 
1 1 1   -4    5   76 o  281.108   6.1859  545.278   22.301  536.390   38.110  549.906   27.502  278.699   10.091  283.518   7.1581 -4.819122 12.37178 
1 1 1   -4    5   77 o  103.992   8.3315   74.259   11.605   60.319   15.478   92.162   17.540   92.882   12.297  115.102   11.245 -22.21988 16.66298 
1 1 1   -4    5   78 o  123.518   6.6191  104.951   10.267  104.016   12.365  107.025   18.421  123.105   7.4123  123.932   10.968 -0.8270264 13.23811 
1 1 1   -4    5   79 o  164.026   4.8786  184.545   10.842  180.680   15.200  188.549   15.471  162.275   6.9119  165.778   6.8868 -3.503647 9.757161 
1 1 1   -4    5   80 o  116.807   6.4803   96.764   9.6741  101.429   12.031   88.230   16.272  121.391   7.3138  112.222   10.700 9.168594 12.96065 
1 1 1   -4    5   81 o   96.689   6.9854   66.744   8.6384   69.930   10.755   60.953   14.500  100.557   7.8928   92.821   11.528 7.735977 13.97078 
1 1 1   -4    5   82 o  158.260   4.9025  172.752   10.510  178.536   14.896  167.018   14.831  160.940   6.8302  155.581   7.0346 5.358292 9.804976 
1 1 1   -4    5   83 o   94.023   5.8516   61.783   7.4211   68.211   10.470   55.292   10.521   99.099   7.7962   88.947   8.7282 10.15256 11.70312 
1 1 1   -4    5   84 o  138.062   5.0603  132.191   9.4652  132.459   13.253  131.913   13.523  138.241   7.0745  137.883   7.2372 0.3575134 10.12057 
1 1 1   -4    5   85 o  111.552   7.7999   86.922   11.791   0.0000   0.0000   86.922   11.791  ?   ?   111.552   7.7999      ?      ? 
1 1 1   -4    5   86 o   90.708   7.3618   58.223   8.4953   61.797   14.964   56.523   10.320   91.870   12.019   89.546   8.5043 2.323837 14.72368 
1 1 1   -4    5   87 o   49.776   10.108   19.043   6.8890   20.546   12.020   18.307   8.4068   50.771   15.792   48.781   12.621 1.989674 20.21599 
1 1 1   -4    5   88 o  103.977   6.8407   78.282   9.1361   75.639   15.406   79.715   11.346  101.607   11.189  106.347   7.8731 -4.739586 13.68144 
1 1 1   -4    5   89 o   92.862   8.9213   64.070   11.093   59.915   14.447   70.038   17.315   89.762   11.877   95.961   13.315 -6.198921 17.84258 
1 1 1   -4    5   90 o   36.761   10.480   4.6034   8.2571  -2.3342   10.626   15.180   13.119   28.879   12.984   44.643   16.454 -15.76403 20.95995 
1 1 1   -4    5   91 o   71.170   10.765   41.857   10.042   45.785   13.601   37.151   14.888   76.166   13.680   66.173   16.624 9.992729 21.52924 
1 1 1   -4    5   92 o   71.491   11.072   42.080   10.386   37.553   13.860   47.879   15.686   67.120   15.544   75.862   15.773 -8.741859 22.14465 
1 1 1   -4    5   93 o   86.214   13.208   58.055   15.431   58.055   15.431   0.0000   0.0000   86.214   13.208  ?   ?       ?      ? 
1 1 1   -4    5   94 o   64.893   16.108   36.611   14.099   36.611   14.099   0.0000   0.0000   64.893   16.108  ?   ?       ?      ? 
1 1 1   -4    5   95 o   79.198   14.502   52.408   14.991   52.408   14.991   0.0000   0.0000   79.198   14.502  ?   ?       ?      ? 
1 1 1   -4    5   96 o   46.600   17.582   20.129   15.155   20.129   15.155   0.0000   0.0000   46.600   17.582  ?   ?       ?      ? 
1 1 1   -4    6    1 o  415.151   6.8364  1158.26   35.940  1138.52   43.470  1200.91   63.887  409.719   7.8293  420.584   11.209 -10.86475 13.67290 
1 1 1   -4    6    2 o  150.094   3.8934  152.631   7.9169  148.454   11.049  157.038   11.349  147.985   5.5096  152.203   5.5026 -4.218369 7.786828 
1 1 1   -4    6    3 o  416.303   5.5665  1175.38   31.403  1169.97   44.227  1180.88   44.595  415.338   7.8578  417.268   7.8866 -1.930450 11.13303 
1 1 1   -4    6    4 o  501.030   6.3251  1703.02   42.945  1710.68   60.797  1695.41   60.669  502.154   8.9344  499.906   8.9557 2.247528 12.65022 
1 1 1   -4    6    5 o  234.150   4.2265  371.060   13.398  349.807   18.548  394.246   19.373  227.151   6.0256  241.150   5.9283 -13.99925 8.452936 
1 1 1   -4    6    6 o  155.864   3.9208  164.751   8.2723  174.488   11.745  155.164   11.654  160.438   5.4019  151.290   5.6841 9.148315 7.841583 
1 1 1   -4    6    7 o  143.240   4.9051  135.769   8.7970  130.671   10.490  147.852   16.150  138.838   5.5754  147.643   8.0719 -8.805664 9.810215 
1 1 1   -4    6    8 o  290.334   5.3208  571.404   20.934  571.404   20.934   0.0000   0.0000  290.334   5.3208  ?   ?       ?      ? 
1 1 1   -4    6    9 o  385.465   6.0780  999.364   27.562  990.804   31.801  1025.21   55.258  382.286   6.1385  388.644   10.492 -6.358154 12.15590 
1 1 1   -4    6   10 o  447.038   6.7171  1358.42   35.448  1360.95   41.078  1351.06   70.156  448.009   6.7661  446.067   11.606 1.942688 13.43422 
1 1 1   -4    6   11 f  247.106   4.9763  422.101   14.663  431.413   17.173  397.046   28.169  252.281   5.0231  241.932   8.5921 10.34918 9.952645 
1 1 1   -4    6   12 o  263.165   4.9991  464.171   15.619  458.452   18.091  480.921   30.958  260.065   5.1332  266.264   8.5799 -6.199310 9.998214 
1 1 1   -4    6   13 o  351.766   5.0464  839.049   24.055  844.839   34.090  833.307   33.949  352.974   7.1270  350.557   7.1464 2.417938 10.09284 
1 1 1   -4    6   14 o  117.570   5.6589   93.703   9.0159   93.703   9.0159   0.0000   0.0000  117.570   5.6589  ?   ?       ?      ? 
1 1 1   -4    6   15 o  179.871   4.0185  219.313   9.7944  218.886   13.774  219.750   13.930  179.694   5.6567  180.048   5.7091 -0.3538818 8.036912 
1 1 1   -4    6   16 o  350.935   5.0535  835.016   24.032  829.054   33.887  841.048   34.087  349.675   7.1513  352.196   7.1421 -2.520721 10.10691 
1 1 1   -4    6   17 o  479.528   6.1478  1559.07   39.944  1529.37   55.900  1590.07   57.097  474.863   8.6868  484.194   8.7018 -9.331177 12.29563 
1 1 1   -4    6   18 o  715.036   8.4222  3467.32   81.573  3367.14  113.366  3574.88  117.467  704.339   11.877  725.734   11.944 -21.39526 16.84437 
1 1 1   -4    6   19 o  157.074   5.6903  167.232   12.112  167.232   12.112   0.0000   0.0000  157.074   5.6903  ?   ?       ?      ? 
1 1 1   -4    6   20 o  443.563   5.8449  1333.55   35.126  1303.95   49.114  1364.54   50.257  438.526   8.2647  448.599   8.2672 -10.07236 11.68982 
1 1 1   -4    6   21 o  524.069   8.0854  1852.41   53.870  1894.91   94.732  1832.09   65.490  528.370   13.231  519.768   9.2978 8.602173 16.17082 
1 1 1   -4    6   22 o  391.883   6.6805  1032.44   33.170  1066.65   58.855  1016.52   40.155  396.543   10.952  387.223   7.6524 9.320282 13.36093 
1 1 1   -4    6   23 o  313.882   4.8225  667.662   20.509  683.381   29.250  652.459   28.766  317.516   6.7980  310.248   6.8420 7.267670 9.644944 
1 1 1   -4    6   24 f  335.765   7.0740  764.211   32.187  764.211   32.187   0.0000   0.0000  335.765   7.0740  ?   ?       ?      ? 
1 1 1   -4    6   25 o  894.009   12.513  5431.43  143.124  5434.48  175.589  5425.39  247.057  894.777   14.481  893.241   20.410 1.535156 25.02545 
1 1 1   -4    6   26 o  792.143   11.272  4305.05  115.187  4410.81  143.472  4113.27  193.208  806.245   13.132  778.041   18.325 28.20306 22.54411 
1 1 1   -4    6   27 o  347.813   6.1570  810.079   27.383  790.452   33.375  850.506   47.900  341.481   7.2122  354.145   9.9810 -12.66373 12.31405 
1 1 1   -4    6   28 o  694.441   11.643  3271.28  109.569  3271.28  109.569   0.0000   0.0000  694.441   11.643  ?   ?       ?      ? 
1 1 1   -4    6   29 o  744.207   10.729  3828.81  103.609  3509.18  169.528  4019.39  130.901  718.731   17.406  769.683   12.550 -50.95282 21.45844 
1 1 1   -4    6   30 o  778.710   9.0670  4114.43   95.678  4140.25  135.866  4089.02  134.760  781.133   12.835  776.288   12.810 4.845337 18.13404 
1 1 1   -4    6   31 o  782.678   9.1197  4156.90   96.727  4158.71  136.919  4155.10  136.665  782.847   12.906  782.509   12.888 0.3377075 18.23942 
1 1 1   -4    6   32 o  633.405   7.6702  2721.26   65.835  2743.87   93.565  2699.08   92.649  636.010   10.856  630.800   10.838 5.210510 15.34031 
1 1 1   -4    6   33 o  306.319   4.8765  635.055   20.224  600.103   28.016  673.087   29.224  297.531   6.9485  315.107   6.8439 -17.57608 9.752977 
1 1 1   -4    6   34 o  775.888   11.102  4087.78  110.167  4095.11  190.451  4084.09  135.056  776.077   18.109  775.698   12.848 0.3785400 22.20385 
1 1 1   -4    6   35 o  1106.96   15.288  8374.21  216.864  8259.38  371.843  8433.40  266.970  1100.24   24.940  1113.69   17.690 -13.45129 30.57627 
1 1 1   -4    6   36 o  348.102   5.1869  821.121   24.461  844.372   35.066  799.084   34.139  352.899   7.3326  343.305   7.3382 9.594666 10.37379 
1 1 1   -4    6   37 o  386.674   7.7532  1013.86   40.627  1013.86   40.627   0.0000   0.0000  386.674   7.7532  ?   ?       ?      ? 
1 1 1   -4    6   38 o  804.902   9.3627  4399.25  102.112  4464.26  145.765  4336.60  143.087  810.736   13.268  799.068   13.214 11.66791 18.72534 
1 1 1   -4    6   39 o  1081.36   14.997  7951.90  206.566  8037.43  360.628  7910.13  252.003  1084.52   24.538  1078.21   17.247 6.312256 29.99307 
1 1 1   -4    6   40 o  289.159   6.0065  570.877   22.154  556.038   38.232  578.379   27.183  286.256   9.8558  292.061   6.8683 -5.805084 12.01294 
1 1 1   -4    6   41 o  599.015   7.3601  2435.59   59.746  2439.94   84.559  2431.25   84.427  599.549   10.408  598.481   10.410 1.068054 14.72026 
1 1 1   -4    6   42 f  355.709   7.4844  858.183   36.077  858.183   36.077   0.0000   0.0000  355.709   7.4844  ?   ?       ?      ? 
1 1 1   -4    6   43 o  372.469   5.4095  941.064   27.304  948.357   38.724  933.853   38.504  373.904   7.6425  371.033   7.6579 2.871002 10.81901 
1 1 1   -4    6   44 o  234.170   4.5637  371.816   14.479  361.341   20.341  382.577   20.615  230.826   6.5028  237.515   6.4050 -6.689209 9.127483 
1 1 1   -4    6   45 o  109.615   6.4426   81.290   8.6720   80.907   10.270   82.242   16.186  109.212   6.9396  110.019   10.857 -0.8066559 12.88517 
1 1 1   -4    6   46 o  601.403   9.1276  2466.51   70.010  2476.99   85.709  2445.49  121.365  603.768   10.475  599.038   14.950 4.730103 18.25517 
1 1 1   -4    6   47 o  366.773   7.6233  912.980   37.890  912.980   37.890   0.0000   0.0000  366.773   7.6233  ?   ?       ?      ? 
1 1 1   -4    6   48 o  422.254   7.1232  1235.41   38.910  1297.86   48.994  1128.73   64.030  437.201   8.2695  407.306   11.601 29.89517 14.24631 
1 1 1   -4    6   49 o  212.491   4.5506  306.360   13.104  305.477   18.508  307.247   18.555  212.184   6.4367  212.798   6.4345 -0.6139984 9.101269 
1 1 1   -4    6   50 o   70.960   6.3644   34.264   6.0590   40.813   8.7383   28.201   8.4087   77.514   8.3188   64.406   9.6342 13.10784 12.72875 
1 1 1   -4    6   51 o  715.213   8.5310  3485.13   82.680  3520.42  117.579  3450.61  116.285  718.792   12.071  711.634   12.058 7.157471 17.06199 
1 1 1   -4    6   52 o  167.509   4.6207  190.277   10.480  201.363   15.053  179.849   14.600  172.243   6.4492  162.775   6.6189 9.468292 9.241352 
1 1 1   -4    6   53 o  522.583   6.7227  1855.83   47.584  1924.82   68.598  1791.85   66.061  531.932   9.5164  513.234   9.4983 18.69757 13.44543 
1 1 1   -4    6   54 o  368.355   6.6917  932.708   31.631  893.065   53.663  953.814   39.156  362.038   10.938  374.673   7.7120 -12.63538 13.38340 
1 1 1   -4    6   55 o  276.966   5.9839  521.077   21.107  523.189   36.813  520.043   25.762  277.216   9.7995  276.716   6.8702 0.5004883 11.96787 
1 1 1   -4    6   56 o  252.960   5.8052  437.912   18.769  426.578   32.253  443.716   23.079  250.317   9.5083  255.604   6.6630 -5.287643 11.61050 
1 1 1   -4    6   57 o  228.392   4.6697  354.303   14.452  354.184   20.530  354.419   20.348  228.352   6.6343  228.433   6.5734 -0.8074951E-01 9.339374 
1 1 1   -4    6   58 o  274.757   4.8656  512.413   18.107  534.526   26.066  491.793   25.171  280.482   6.8578  269.032   6.9042 11.45013 9.731261 
1 1 1   -4    6   59 f  266.472   4.8516  482.507   17.519  485.946   24.905  479.139   24.647  267.411   6.8728  265.534   6.8495 1.876831 9.703140 
1 1 1   -4    6   60 o  195.575   4.6576  259.886   12.344  262.812   17.541  257.016   17.373  196.666   6.5816  194.484   6.5920 2.181427 9.315198 
1 1 1   -4    6   61 o  226.920   5.9115  352.981   16.973  357.413   20.669  343.806   29.740  229.322   6.6511  224.518   9.7748 4.803955 11.82303 
1 1 1   -4    6   62 o  258.628   6.0371  457.626   19.797  461.405   24.129  449.844   34.630  260.513   6.8349  256.743   9.9533 3.770325 12.07414 
1 1 1   -4    6   63 o  420.267   5.9013  1202.05   33.594  1246.68   48.311  1160.26   46.747  427.817   8.3331  412.716   8.3583 15.10077 11.80259 
1 1 1   -4    6   64 o  224.792   4.7648  343.337   14.504  361.992   20.815  325.732   20.222  230.732   6.6573  218.853   6.8185 11.87988 9.529504 
1 1 1   -4    6   65 o   94.094   6.7717   58.183   8.4008   51.347   10.507   70.299   13.987   86.765   8.9361  101.423   10.177 -14.65803 13.54347 
1 1 1   -4    6   66 o  193.348   4.7629  253.989   12.472  245.094   17.274  263.674   18.025  189.819   6.7154  196.878   6.7560 -7.058472 9.525770 
1 1 1   -4    6   67 o  189.644   4.7337  244.698   12.165  242.114   17.213  247.276   17.194  188.639   6.7336  190.649   6.6551 -2.009583 9.467460 
1 1 1   -4    6   68 o  214.400   4.8035  312.163   13.932  338.881   20.191  287.880   19.249  223.154   6.6770  205.646   6.9073 17.50781 9.606904 
1 1 1   -4    6   69 o  203.923   4.8090  283.164   13.287  277.041   18.793  289.284   18.788  201.707   6.8753  206.138   6.7258 -4.430801 9.618028 
1 1 1   -4    6   70 o  176.840   6.2222  217.793   13.738  203.109   24.365  224.637   16.634  172.071   10.449  181.610   6.7590 -9.538605 12.44446 
1 1 1   -4    6   71 o  225.677   6.8643  347.113   20.993   0.0000   0.0000  347.113   20.993  ?   ?   225.677   6.8643      ?      ? 
1 1 1   -4    6   72 o   74.362   6.8804   37.954   6.9331   38.426   9.8484   37.490   9.7621   74.822   9.7130   73.902   9.7477 0.9196472 13.76078 
1 1 1   -4    6   73 o  274.443   5.0271  513.201   18.672  479.626   25.795  550.164   27.065  265.011   7.1826  283.876   7.0355 -18.86438 10.05426 
1 1 1   -4    6   74 o  288.629   5.0795  569.071   19.861  549.461   27.719  589.758   28.471  283.512   7.2148  293.746   7.1522 -10.23456 10.15908 
1 1 1   -4    6   75 o   61.132   8.4054   26.614   6.7775   18.760   9.3678   35.242   9.8178   50.841   13.406   71.424   10.144 -20.58291 16.81072 
1 1 1   -4    6   76 o  138.902   6.4564  132.088   11.258  130.514   13.542  135.609   20.253  138.021   7.2405  139.783   10.692 -1.761887 12.91289 
1 1 1   -4    6   77 o  142.059   4.9769  138.355   9.5804  136.625   13.551  140.083   13.546  141.161   7.0840  142.958   6.9925 -1.797287 9.953820 
1 1 1   -4    6   78 o  119.364   7.4944   97.981   12.122   97.981   12.122   0.0000   0.0000  119.364   7.4944  ?   ?       ?      ? 
1 1 1   -4    6   79 o  142.611   4.9692  139.849   9.6018  141.872   13.532  137.797   13.627  143.672   6.9503  141.549   7.1040 2.123276 9.938446 
1 1 1   -4    6   80 o  107.653   7.5527   81.506   10.983   81.482   16.178   81.527   14.958  107.478   11.108  107.829   10.237 -0.3505478 15.10547 
1 1 1   -4    6   81 o  266.984   7.4708  501.454   26.927  486.288   36.320  519.964   40.125  262.880   10.196  271.088   10.922 -8.207794 14.94150 
1 1 1   -4    6   82 o   97.404   7.7419   71.127   9.1723   77.310   11.128   58.026   16.198  105.507   7.7832   89.301   13.385 16.20656 15.48384 
1 1 1   -4    6   83 o   62.349   9.3959   29.233   7.4555   27.975   12.817   29.876   9.1657   59.891   15.627   64.807   10.437 -4.915123 18.79182 
1 1 1   -4    6   84 o   48.954   9.3319   19.962   7.1129   5.1609   12.146   27.688   8.7749   36.593   15.105   61.316   10.963 -24.72347 18.66371 
1 1 1   -4    6   85 o   74.263   9.5472   39.261   9.6080   0.0000   0.0000   39.261   9.6080  ?   ?    74.263   9.5472      ?      ? 
1 1 1   -4    6   86 o   88.228   7.7569   59.264   8.4760   48.500   14.464   64.894   10.460   80.444   13.268   96.012   8.0396 -15.56769 15.51373 
1 1 1   -4    6   87 o   59.216   9.0222   30.971   7.3357   11.876   12.129   41.985   9.2114   41.635   15.724   76.797   8.8511 -35.16179 18.04446 
1 1 1   -4    6   88 o   67.125   10.964   36.719   9.6823   37.405   12.683   35.762   14.990   68.874   14.064   65.376   16.823 3.498215 21.92726 
1 1 1   -4    6   89 o   35.279   10.481   4.5341   8.3865   2.6529   10.981   7.1678   12.992   32.668   13.968   37.890   15.629 -5.222546 20.96146 
1 1 1   -4    6   90 f  117.292   8.2064  100.353   12.873   82.656   16.849  125.172   19.954  104.936   11.849  129.647   11.358 -24.71114 16.41289 
1 1 1   -4    6   91 o   49.656   11.685   20.919   9.2088   22.319   11.994   18.909   14.372   51.529   15.734   47.783   17.280 3.745907 23.37003 
1 1 1   -4    6   92 o   54.716   16.360   25.946   13.069   25.946   13.069   0.0000   0.0000   54.716   16.360  ?   ?       ?      ? 
1 1 1   -4    6   94 o   27.166   12.747  -7.2825   11.883  -7.2825   11.883   0.0000   0.0000   27.166   12.747  ?   ?       ?      ? 
1 1 1   -4    6   95 o   44.004   16.524   16.919   13.352   16.919   13.352   0.0000   0.0000   44.004   16.524  ?   ?       ?      ? 
1 1 1   -4    6   96 o   36.520   15.523   8.0771   13.415   8.0771   13.415   0.0000   0.0000   36.520   15.523  ?   ?       ?      ? 
1 1 1   -4    7    1 o  635.827   9.3767  2742.00   75.900  2734.65   92.583  2757.07  132.542  634.789   10.763  636.864   15.358 -2.074768 18.75347 
1 1 1   -4    7    2 o  812.958   11.561  4529.09  120.590  4604.83  149.011  4385.34  205.281  823.378   13.355  802.538   18.876 20.84009 23.12226 
1 1 1   -4    7    3 o  641.919   9.4738  2815.98   77.842  2852.01   95.844  2746.15  133.426  648.254   10.910  635.583   15.491 12.67059 18.94761 
1 1 1   -4    7    4 o  364.824   6.3954  902.584   29.728  903.539   51.779  902.115   36.308  364.899   10.471  364.750   7.3457 0.1492920 12.79088 
1 1 1   -4    7    5 o  259.692   6.4073  457.332   22.545  447.484   31.602  467.540   32.173  256.845   9.0794  262.539   9.0432 -5.693909 12.81466 
1 1 1   -4    7    6 o  938.879   13.127  5992.04  157.093  5976.16  191.880  6024.34  273.578  937.722   15.100  940.036   21.476 -2.313904 26.25309 
1 1 1   -4    7    7 o  604.328   7.3292  2477.93   60.021  2462.43   84.457  2493.73   85.313  602.421   10.346  606.235   10.385 -3.813538 14.65849 
1 1 1   -4    7    8 o  502.470   6.3831  1711.01   43.444  1772.60   62.498  1653.42   60.433  511.212   9.0216  493.727   9.0325 17.48514 12.76616 
1 1 1   -4    7    9 o  528.270   7.6179  1894.25   47.411  1894.86   54.862  1892.44   94.225  528.630   7.6584  527.911   13.171 0.7194824 15.23576 
1 1 1   -4    7   10 o  1168.87   15.136  9318.37  207.811  9327.59  240.207  9290.91  414.345  1171.66   15.129  1166.09   26.221 5.567017 30.27230 
1 1 1   -4    7   11 o  345.224   5.7562  803.606   23.461  798.935   27.136  817.437   46.691  343.314   5.8327  347.134   9.9255 -3.819580 11.51241 
1 1 1   -4    7   12 o  378.789   6.0980  983.279   27.412  994.556   31.930  951.681   53.450  383.040   6.1514  374.538   10.531 8.502899 12.19604 
1 1 1   -4    7   13 o  399.486   6.2674  1081.68   29.585  1081.09   34.278  1083.42   58.577  399.354   6.3339  399.618   10.817 -0.2636108 12.53481 
1 1 1   -4    7   14 o  584.394   8.2033  2304.35   56.259  2291.55   64.878  2343.13  112.961  581.346   8.2353  587.441   14.190 -6.095459 16.40659 
1 1 1   -4    7   15 o  102.854   4.8677   70.112   6.5453   66.001   8.1340   77.664   11.025   98.678   6.0828  107.031   7.6011 -8.353188 9.735327 
1 1 1   -4    7   16 o  155.666   4.0805  164.259   8.6059  168.264   12.178  160.264   12.164  157.562   5.7033  153.770   5.8372 3.792282 8.160931 
1 1 1   -4    7   17 o  652.743   7.8042  2889.30   69.021  2942.08   98.671  2838.74   96.584  658.576   11.056  646.910   11.017 11.66656 15.60834 
1 1 1   -4    7   18 o  381.283   6.6387  997.529   32.390  949.565   55.204  1022.71   40.000  374.158   10.888  388.408   7.5995 -14.24933 13.27745 
1 1 1   -4    7   19 o  325.768   4.9313  719.087   21.765  737.867   31.125  701.115   30.448  329.929   6.9615  321.607   6.9863 8.322052 9.862610 
1 1 1   -4    7   20 f  497.322   6.3467  1675.82   42.758  1729.05   61.405  1625.71   59.574  504.984   8.9731  489.661   8.9780 15.32278 12.69331 
1 1 1   -4    7   21 o  909.047   12.699  5595.74  147.221  5559.36  179.720  5669.95  256.681  904.984   14.655  913.110   20.744 -8.125244 25.39808 
1 1 1   -4    7   22 o  704.011   10.161  3365.16   91.532  3367.36  112.306  3360.78  157.969  704.557   11.763  703.466   16.571 1.091431 20.32124 
1 1 1   -4    7   23 o  233.199   5.2861  369.796   15.894  372.421   19.692  364.889   26.924  234.407   6.1991  231.991   8.5641 2.416397 10.57223 
1 1 1   -4    7   24 o  495.088   8.8889  1662.65   59.630  1690.58   85.061  1635.66   83.617  499.176   12.575  491.001   12.567 8.175568 17.77776 
1 1 1   -4    7   25 o  599.586   9.0195  2437.01   68.941  2432.66   84.220  2445.84  120.026  598.916   10.377  600.255   14.756 -1.339172 18.03904 
1 1 1   -4    7   26 o  696.812   10.132  3273.35   89.615  3232.64  108.750  3359.50  158.186  690.317   11.625  703.306   16.597 -12.98920 20.26371 
1 1 1   -4    7   27 o  479.958   6.2239  1561.92   40.481  1560.39   57.184  1563.44   57.313  479.724   8.7963  480.193   8.8075 -0.4687195 12.44779 
1 1 1   -4    7   28 o  597.642   7.3020  2422.25   59.135  2397.76   83.143  2447.32   84.124  594.585   10.319  600.699   10.334 -6.113586 14.60399 
1 1 1   -4    7   29 f  241.795   4.5213  396.028   14.807  379.313   20.670  413.648   21.223  236.557   6.4480  247.033   6.3396 -10.47633 9.042512 
1 1 1   -4    7   30 o  549.085   6.8544  2044.76   51.002  2042.89   72.134  2046.64   72.122  548.833   9.6988  549.338   9.6883 -0.5049438 13.70876 
1 1 1   -4    7   31 o  821.640   9.5165  4583.00  105.959  4591.24  150.021  4574.79  149.678  822.377   13.462  820.903   13.455 1.474243 19.03292 
1 1 1   -4    7   32 o  318.822   9.8612  689.482   42.605  689.482   42.605   0.0000   0.0000  318.822   9.8612  ?   ?       ?      ? 
1 1 1   -4    7   33 o  227.911   5.4262  350.055   15.861  358.796   27.423  345.661   19.443  230.010   8.7980  225.811   6.3537 4.199524 10.85239 
1 1 1   -4    7   34 o  242.618   4.5573  398.957   14.982  405.760   21.381  392.396   20.999  244.649   6.4493  240.587   6.4409 4.062286 9.114692 
1 1 1   -4    7   35 o  366.205   5.3342  909.333   26.471  912.123   37.586  906.588   37.286  366.761   7.5625  365.648   7.5249 1.112976 10.66839 
1 1 1   -4    7   36 o  631.443   7.6564  2705.64   65.510  2669.05   92.017  2743.25   93.287  627.114   10.828  635.771   10.828 -8.656494 15.31275 
1 1 1   -4    7   37 o  922.178   12.986  5822.16  153.497  5693.01  262.473  5889.29  189.229  913.603   21.200  930.752   15.003 -17.14917 25.97190 
1 1 1   -4    7   38 o  467.717   6.1865  1484.04   39.210  1473.98   55.394  1494.13   55.510  466.127   8.7696  469.306   8.7283 -3.178253 12.37291 
1 1 1   -4    7   39 o  879.163   10.133  5255.28  120.725  5217.61  169.925  5293.67  171.549  875.985   14.315  882.341   14.347 -6.355225 20.26697 
1 1 1   -4    7   40 f  224.911   4.5884  342.870   13.975  324.938   19.556  361.584   19.977  218.901   6.5924  230.921   6.3840 -12.01978 9.176814 
1 1 1   -4    7   41 o  510.657   6.5625  1769.94   45.413  1776.62   64.445  1763.36   64.003  511.612   9.2954  509.701   9.2662 1.910797 13.12506 
1 1 1   -4    7   42 o  307.538   4.9662  641.347   20.694  654.747   29.559  628.466   28.980  310.687   7.0209  304.388   7.0257 6.299469 9.932389 
1 1 1   -4    7   43 o  426.774   7.2037  1226.09   38.965  1206.35   47.181  1268.44   69.104  421.602   8.2582  431.945   11.806 -10.34335 14.40733 
1 1 1   -4    7   44 o  334.284   6.4057  758.599   27.162  758.244   33.038  759.338   47.714  334.291   7.2930  334.278   10.533 0.1300049E-01 12.81147 
1 1 1   -4    7   45 o  449.966   6.0496  1374.72   36.888  1367.43   52.040  1382.08   52.296  448.767   8.5572  451.166   8.5536 -2.399139 12.09917 
1 1 1   -4    7   46 o  540.060   8.3192  1974.42   57.407  1954.11   70.153  2015.58   99.876  536.255   9.6536  543.864   13.551 -7.609436 16.63836 
1 1 1   -4    7   47 o  333.737   6.3659  779.995   27.550  852.325   35.266  666.732   44.130  354.352   7.3440  313.123   10.400 41.22903 12.73176 
1 1 1   -4    7   48 o  415.711   5.7879  1173.06   32.596  1136.58   45.495  1211.54   46.724  409.071   8.2069  422.350   8.1637 -13.27911 11.57586 
1 1 1   -4    7   49 o  320.056   5.0860  695.446   22.059  690.125   31.143  700.802   31.249  318.826   7.2082  321.286   7.1772 -2.459656 10.17201 
1 1 1   -4    7   50 o  547.317   6.9349  2037.59   51.434  2021.81   72.417  2053.65   73.065  545.180   9.8020  549.454   9.8128 -4.274170 13.86982 
1 1 1   -4    7   51 o  184.323   4.5695  230.646   11.405  218.962   16.043  242.584   16.217  179.596   6.5919  189.049   6.3301 -9.453201 9.139081 
1 1 1   -4    7   52 o  174.439   4.5807  206.566   10.825  199.710   15.231  213.562   15.387  171.511   6.5534  177.367   6.4018 -5.856445 9.161314 
1 1 1   -4    7   53 o  141.978   5.8387  136.790   10.472  137.730   18.564  136.352   12.683  142.249   9.6302  141.706   6.6045 0.5430603 11.67733 
1 1 1   -4    7   54 o  221.024   6.4833  331.728   19.419   0.0000   0.0000  331.728   19.419  ?   ?   221.024   6.4833      ?      ? 
1 1 1   -4    7   55 o  220.130   4.6292  329.129   13.807  321.318   19.499  336.984   19.552  217.505   6.6154  222.755   6.4772 -5.250122 9.258389 
1 1 1   -4    7   56 o  431.092   5.9408  1264.35   34.705  1259.67   48.989  1269.07   49.173  430.291   8.4015  431.893   8.4018 -1.601288 11.88167 
1 1 1   -4    7   57 o  110.744   5.1499   83.272   7.7238   87.255   11.129   79.570   10.728  113.297   7.2485  108.190   7.3175 5.107552 10.29979 
1 1 1   -4    7   58 o   71.846   6.4594   35.148   6.2794   35.443   9.1530   34.885   8.6309   72.121   9.3652   71.571   8.8990 0.5508347 12.91890 
1 1 1   -4    7   59 o   82.864   7.8009   46.025   8.1448   44.575   9.7795   49.308   14.715   80.891   8.9214   84.837   12.799 -3.945862 15.60184 
1 1 1   -4    7   60 o  264.963   6.0471  473.576   20.275  465.543   24.512  490.974   36.076  261.678   6.9124  268.248   9.9242 -6.570465 12.09421 
1 1 1   -4    7   61 o  185.985   4.6810  235.071   11.796  239.101   16.864  231.211   16.506  187.544   6.6355  184.426   6.6044 3.117310 9.362046 
1 1 1   -4    7   62 o  144.322   4.8428  141.639   9.4703  142.120   13.503  141.173   13.286  144.560   6.8927  144.085   6.8044 0.4757843 9.685561 
1 1 1   -4    7   63 o  252.396   4.8783  433.250   16.683  423.891   23.457  442.832   23.734  249.633   6.9339  255.160   6.8639 -5.526215 9.756687 
1 1 1   -4    7   64 o  165.568   5.6628  183.681   12.209  176.138   15.143  197.691   20.639  160.902   6.9448  170.234   8.9465 -9.331207 11.32562 
1 1 1   -4    7   65 o  169.791   5.5717  191.597   12.341  179.687   15.284  213.911   20.921  162.500   6.9407  177.082   8.7180 -14.58237 11.14347 
1 1 1   -4    7   66 o  185.170   4.7807  233.407   11.979  217.465   16.839  249.738   17.043  178.744   6.9519  191.596   6.5643 -12.85155 9.561312 
1 1 1   -4    7   67 o  209.136   4.7852  297.757   13.560  293.223   19.220  302.250   19.133  207.542   6.8340  210.731   6.7000 -3.189743 9.570414 
1 1 1   -4    7   68 o  102.642   5.6424   71.747   7.8396   74.607   11.419   69.198   10.782  104.566   8.0586  100.718   7.8996 3.848640 11.28472 
1 1 1   -4    7   69 o  110.178   6.6866   82.347   9.4411   85.489   16.384   80.784   11.552  111.557   10.837  108.799   7.8352 2.758438 13.37317 
1 1 1   -4    7   70 o  207.258   5.9568  291.702   15.645  299.452   27.684  288.066   18.964  208.940   9.7774  205.576   6.8072 3.363388 11.91369 
1 1 1   -4    7   71 o   78.669   8.1486   41.275   8.0981   46.775   14.721   38.889   9.6973   82.063   13.237   75.274   9.5066 6.789467 16.29717 
1 1 1   -4    7   72 o  242.724   4.9014  402.234   16.122  403.186   22.841  401.289   22.759  243.009   6.9360  242.439   6.9273 0.5700989 9.802866 
1 1 1   -4    7   73 o  141.153   5.1203  136.254   9.7906  141.133   13.902  131.453   13.791  143.678   7.1400  138.628   7.3410 5.050323 10.24059 
1 1 1   -4    7   74 o  245.480   6.1653  404.907   19.009  389.831   22.742  439.864   34.629  238.704   7.0304  252.257   10.130 -13.55226 12.33070 
1 1 1   -4    7   75 o  118.809   5.4301   96.859   8.7410   99.471   12.453   94.322   12.272  120.396   7.6326  117.221   7.7258 3.175346 10.86021 
1 1 1   -4    7   76 o  237.116   4.8968  385.424   15.734  386.390   22.297  384.466   22.207  237.410   6.9305  236.822   6.9197 0.5875549 9.793543 
1 1 1   -4    7   77 o   62.975   7.7165   28.207   6.4260   26.071   9.1341   30.300   9.0419   59.995   11.655   65.956   10.116 -5.960846 15.43310 
1 1 1   -4    7   78 o   88.569   5.9553   54.234   7.1418   57.372   10.290   51.318   9.9203   91.056   8.3391   86.082   8.5041 4.974205 11.91052 
1 1 1   -4    7   79 o  107.877   5.4886   80.488   8.0185   77.019   11.311   83.992   11.369  105.498   7.9118  110.256   7.6093 -4.758194 10.97711 
1 1 1   -4    7   80 o   66.394   8.7966   33.911   7.3493   39.079   9.3708   25.654   11.846   74.742   9.2518   58.045   14.964 16.69704 17.59320 
1 1 1   -4    7   81 o   80.072   6.4107   44.942   6.9503   47.380   9.8957   42.569   9.7639   82.270   8.8761   77.874   9.2523 4.396538 12.82145 
1 1 1   -4    7   82 o   96.753   7.6482   73.124   8.8974   49.721   14.963   85.926   11.067   82.282   13.419  111.225   7.3422 -28.94290 15.29632 
1 1 1   -4    7   83 o   81.907   7.6329   45.126   8.0762   58.779   14.289   38.718   9.7897   90.017   11.714   73.797   9.7893 16.22084 15.26590 
1 1 1   -4    7   84 f   40.352   7.9229   9.5885   6.7177 -17.3207   11.203   24.694   8.3941   23.131   11.248   57.574   11.162 -34.44286 15.84590 
1 1 1   -4    7   85 o  110.957   12.034   90.771   18.095   0.0000   0.0000   90.771   18.095  ?   ?   110.957   12.034      ?      ? 
1 1 1   -4    7   86 o   36.958   10.583   6.7684   8.3649   9.9478   11.025   2.4545   12.842   39.139   14.941   34.777   14.992 4.361855 21.16597 
1 1 1   -4    7   87 o   61.972   11.380   31.036   9.6736   24.715   12.828   39.370   14.729   54.666   16.178   69.278   16.011 -14.61189 22.76101 
1 1 1   -4    7   88 f   56.534   11.454   27.263   9.3386   30.611   12.123   22.376   14.646   61.477   14.742   51.591   17.533 9.885761 22.90733 
1 1 1   -4    7   89 o   83.476   13.702   54.053   15.500   54.053   15.500   0.0000   0.0000   83.476   13.702  ?   ?       ?      ? 
1 1 1   -4    7   90 o   67.886   17.212   40.002   15.856   0.0000   0.0000   40.002   15.856  ?   ?    67.886   17.212      ?      ? 
1 1 1   -4    7   91 o   61.373   11.655   31.861   9.9233   25.250   13.073   40.849   15.244   53.935   16.416   68.810   16.550 -14.87524 23.31064 
1 1 1   -4    7   92 o   47.126   11.669   19.149   9.3897   22.800   12.647   14.664   14.016   51.027   16.244   43.226   16.756 7.801430 23.33765 
1 1 1   -4    7   93 o   48.773   16.444   21.229   12.881   21.229   12.881   0.0000   0.0000   48.773   16.444  ?   ?       ?      ? 
1 1 1   -4    7   94 o   41.895   16.087   14.606   12.827   14.606   12.827   0.0000   0.0000   41.895   16.087  ?   ?       ?      ? 
1 1 1   -4    7   95 f   53.171   17.133   27.526   14.037   27.526   14.037   0.0000   0.0000   53.171   17.133  ?   ?       ?      ? 
1 1 1   -4    7   96 o   74.061   16.645   52.007   16.299   52.007   16.299   0.0000   0.0000   74.061   16.645  ?   ?       ?      ? 
1 1 1   -4    8    1 o  181.656   4.9306  222.612   11.659  227.548   19.508  219.869   14.542  183.204   7.8576  180.108   5.9581 3.095825 9.861120 
1 1 1   -4    8    2 o  152.389   4.8937  157.603   9.7608  156.706   16.013  158.133   12.312  152.035   7.7724  152.743   5.9484 -0.7080383 9.787382 
1 1 1   -4    8    3 o  174.966   4.9437  207.886   11.259  206.193   18.703  208.848   14.099  174.395   7.9138  175.537   5.9272 -1.141647 9.887397 
1 1 1   -4    8    4 o  395.031   6.6140  1048.71   33.458  1087.00   58.181  1029.79   40.896  400.320   10.725  389.742   7.7433 10.57864 13.22794 
1 1 1   -4    8    5 o  667.685   9.7275  3043.12   83.515  2970.73  141.868  3081.51  103.313  661.386   15.829  673.984   11.312 -12.59790 19.45508 
1 1 1   -4    8    6 o  657.431   9.5806  2910.87   80.249  2999.57  140.764  2868.16   97.678  664.612   15.629  650.251   11.085 14.36102 19.16116 
1 1 1   -4    8    7 o  943.895   13.142  6037.70  158.326  6109.04  275.509  6002.53  193.461  947.554   21.456  940.235   15.184 7.318970 26.28499 
1 1 1   -4    8    8 f  150.516   5.0081  155.125   9.8178  147.801   16.110  159.452   12.383  147.651   8.0517  153.380   5.9576 -5.729660 10.01613 
1 1 1   -4    8    9 o  577.044   10.047  2258.19   78.568   0.0000   0.0000  2258.19   78.568  ?   ?   577.044   10.047      ?      ? 
1 1 1   -4    8   10 o  999.883   22.731  6804.92  307.997  6804.92  307.997   0.0000   0.0000  999.883   22.731  ?   ?       ?      ? 
1 1 1   -4    8   11 o  811.726   13.269  4471.34  145.957  4471.34  145.957   0.0000   0.0000  811.726   13.269  ?   ?       ?      ? 
1 1 1   -4    8   12 o  191.380   8.2096  248.312   21.291   0.0000   0.0000  248.312   21.291  ?   ?   191.380   8.2096      ?      ? 
1 1 1   -4    8   13 o  591.940   8.8160  2353.81   66.361  2310.68   80.554  2444.89  117.066  583.716   10.184  600.164   14.394 -16.44800 17.63207 
1 1 1   -4    8   14 o  897.032   14.544  5462.58  176.649  5241.42  243.821  5706.93  256.283  877.964   20.493  916.099   20.644 -38.13446 29.08870 
1 1 1   -4    8   15 o  328.787   7.0602  732.712   31.415  681.888   43.890  786.108   44.987  317.095   10.214  340.479   9.7501 -23.38449 14.12047 
1 1 1   -4    8   16 o  556.071   8.4243  2091.82   59.856  2080.28   73.220  2115.06  103.927  553.875   9.7552  558.266   13.737 -4.391174 16.84868 
1 1 1   -4    8   17 o  925.259   12.159  5732.29  130.693  5656.09  149.706  5976.40  267.963  913.095   12.099  937.424   21.094 -24.32904 24.31732 
1 1 1   -4    8   18 o  423.445   6.9709  1217.14   37.854  1219.72   46.565  1212.10   65.000  424.165   8.1010  422.725   11.347 1.439240 13.94184 
1 1 1   -4    8   19 o  962.723   15.458  6303.46  201.641  6413.20  288.200  6198.22  282.221  970.921   21.904  954.524   21.818 16.39685 30.91649 
1 1 1   -4    8   20 o  850.508   11.973  4924.47  130.497  4878.59  224.055  4948.02  160.536  847.163   19.517  853.853   13.874 -6.690002 23.94561 
1 1 1   -4    8   21 o  745.787   8.7436  3772.28   88.350  3703.65  123.498  3844.22  126.447  738.844   12.335  752.730   12.396 -13.88629 17.48726 
1 1 1   -4    8   22 o  496.852   7.8331  1664.75   49.407  1647.01   59.987  1702.16   87.119  492.852   8.9816  500.851   12.836 -7.998383 15.66611 
1 1 1   -4    8   23 o  230.943   4.4751  359.740   13.967  327.090   19.055  397.648   20.532  219.673   6.4011  242.212   6.2555 -22.53911 8.950172 
1 1 1   -4    8   24 o  756.183   8.8678  3879.99   90.869  3902.52  128.973  3857.79  128.048  758.362   12.550  754.005   12.532 4.357422 17.73551 
1 1 1   -4    8   25 o  210.011   4.4325  298.675   12.605  282.719   17.559  315.640   18.106  204.228   6.3445  215.794   6.1915 -11.56528 8.864943 
1 1 1   -4    8   26 o  380.965   5.4205  983.963   27.984  987.944   39.631  980.005   39.520  381.733   7.6611  380.196   7.6705 1.537140 10.84107 
1 1 1   -4    8   27 o  939.989   10.740  5995.16  136.727  6192.03  197.515  5814.03  189.458  954.778   15.266  925.200   15.111 29.57837 21.47981 
1 1 1   -4    8   28 o  225.162   5.3773  343.909   15.635  343.158   26.474  344.310   19.374  224.951   8.6846  225.373   6.3436 -0.4214172 10.75467 
1 1 1   -4    8   29 o  323.336   9.8150  709.170   43.006  709.170   43.006   0.0000   0.0000  323.336   9.8150  ?   ?       ?      ? 
1 1 1   -4    8   30 o  302.267   9.5542  619.763   39.135  619.763   39.135   0.0000   0.0000  302.267   9.5542  ?   ?       ?      ? 
1 1 1   -4    8   31 o  110.999   4.9098   83.815   7.3598   77.328   10.544   89.979   10.278  106.793   7.2859  115.205   6.5833 -8.412300 9.819567 
1 1 1   -4    8   33 o  819.330   9.5209  4559.21  105.698  4626.31  150.886  4494.56  148.113  825.243   13.492  813.416   13.437 11.82703 19.04174 
1 1 1   -4    8   34 o  496.521   7.9235  1677.80   50.143  1661.09   87.030  1686.11   61.348  494.504   12.987  498.538   9.0807 -4.033173 15.84706 
1 1 1   -4    8   35 o  418.435   11.651  1188.92   66.067  1188.92   66.067   0.0000   0.0000  418.435   11.651  ?   ?       ?      ? 
1 1 1   -4    8   36 o  683.760   8.1773  3175.04   75.768  3155.06  106.820  3195.27  107.489  681.596   11.565  685.924   11.564 -4.328857 16.35455 
1 1 1   -4    8   37 o  266.615   4.7580  481.860   17.187  492.316   24.594  471.879   24.029  269.440   6.7357  263.789   6.7219 5.651520 9.515945 
1 1 1   -4    8   38 o  267.304   4.7686  484.589   17.272  482.972   24.523  486.181   24.332  266.860   6.7811  267.748   6.7062 -0.8875427 9.537110 
1 1 1   -4    8   39 o  455.996   6.0879  1410.64   37.612  1438.90   53.843  1383.70   52.563  460.453   8.6290  451.539   8.5902 8.914124 12.17580 
1 1 1   -4    8   40 o  336.295   5.1689  767.262   23.556  765.985   33.314  768.538   33.312  336.015   7.3163  336.575   7.3036 -0.5600891 10.33780 
1 1 1   -4    8   41 o  212.728   5.7127  301.441   15.283  292.316   18.319  322.330   27.716  207.593   6.5120  217.863   9.3880 -10.26962 11.42540 
1 1 1   -4    8   42 o   68.121   6.5240   31.469   5.9987   32.043   8.9233   30.995   8.1029   68.681   9.5876   67.562   8.8502 1.119041 13.04796 
1 1 1   -4    8   43 o  302.421   4.9616  620.601   20.333  621.513   28.891  619.705   28.621  302.640   7.0444  302.203   6.9889 0.4370422 9.923139 
1 1 1   -4    8   44 o  528.238   6.7390  1894.49   48.218  1957.81   69.451  1835.56   66.996  536.749   9.5483  519.726   9.5124 17.02283 13.47800 
1 1 1   -4    8   45 o  273.285   5.6668  485.819   19.848  445.995   23.987  572.298   35.347  256.348   6.9049  290.221   8.9875 -33.87259 11.33370 
1 1 1   -4    8   46 o  191.178   5.3460  245.019   13.341  236.899   16.625  259.707   22.358  186.835   6.5662  195.521   8.4384 -8.686050 10.69209 
1 1 1   -4    8   47 o  215.731   6.5926  315.879   19.273  315.879   19.273   0.0000   0.0000  215.731   6.5926  ?   ?       ?      ? 
1 1 1   -4    8   48 o  513.934   6.6360  1796.21   46.216  1782.92   65.227  1809.60   65.491  512.022   9.4006  515.846   9.3687 -3.823669 13.27193 
1 1 1   -4    8   49 o  407.161   5.7432  1126.40   31.685  1136.97   45.207  1116.19   44.422  409.034   8.1558  405.289   8.0882 3.744629 11.48632 
1 1 1   -4    8   50 o  211.730   4.6323  304.389   13.284  291.437   18.706  317.566   18.868  207.178   6.6627  216.281   6.4376 -9.102844 9.264685 
1 1 1   -4    8   51 o  318.545   6.3448  699.394   25.762  662.864   44.179  718.216   31.712  311.933   10.451  325.157   7.1969 -13.22400 12.68963 
1 1 1   -4    8   52 o  210.903   6.4805  302.047   18.521   0.0000   0.0000  302.047   18.521  ?   ?   210.903   6.4805      ?      ? 
1 1 1   -4    8   53 o  225.249   5.7469  348.997   16.472  333.315   28.404  356.943   20.219  221.246   9.4737  229.253   6.5082 -8.007141 11.49379 
1 1 1   -4    8   54 o  103.950   5.2761   73.335   7.4263   76.749   10.760   70.229   10.262  106.256   7.4728  101.644   7.4504 4.612839 10.55227 
1 1 1   -4    8   55 o  143.859   4.7498  140.409   9.2529  146.396   13.396  134.947   12.796  146.786   6.7345  140.931   6.7000 5.854782 9.499670 
1 1 1   -4    8   56 o  245.743   4.7580  410.411   15.843  406.072   22.472  414.700   22.340  244.445   6.7838  247.040   6.6733 -2.594879 9.515914 
1 1 1   -4    8   57 o  166.627   5.9828  190.483   12.629  193.203   15.403  184.904   22.058  168.602   6.7416  164.652   9.8857 3.950714 11.96567 
1 1 1   -4    8   58 o  456.192   7.6716  1435.39   44.796  1464.56   55.287  1379.64   76.433  463.650   8.7994  448.734   12.569 14.91565 15.34322 
1 1 1   -4    8   59 o  123.990   5.0985  104.450   8.5597  110.470   12.316   98.825   11.905  127.447   7.1312  120.533   7.2885 6.914238 10.19690 
1 1 1   -4    8   60 o  117.251   5.2939   93.294   8.3758  106.015   12.177   81.871   11.539  124.835   7.1981  109.667   7.7645 15.16800 10.58775 
1 1 1   -4    8   61 o  313.580   5.2082  668.507   22.119  639.526   30.764  699.523   31.826  306.544   7.4058  320.616   7.3251 -14.07230 10.41648 
1 1 1   -4    8   62 o  225.305   4.8291  345.217   14.737  330.435   20.673  360.490   21.014  220.390   6.9218  230.220   6.7357 -9.829376 9.658208 
1 1 1   -4    8   63 o  337.266   5.3517  774.146   24.452  751.172   34.119  798.405   35.060  332.122   7.5809  342.410   7.5559 -10.28818 10.70331 
1 1 1   -4    8   64 o  138.468   5.9524  130.482   10.822  129.626   13.686  131.911   17.680  137.973   7.3200  138.962   9.3884 -0.9896393 11.90477 
1 1 1   -4    8   65 o  155.163   5.0046  163.756   10.515  172.810   15.127  155.291   14.627  159.316   7.0066  151.010   7.1477 8.306152 10.00911 
1 1 1   -4    8   66 o  158.715   4.9671  171.543   10.678  172.504   15.354  170.644   14.861  159.134   7.1201  158.296   6.9277 0.8377991 9.934266 
1 1 1   -4    8   67 o  174.106   5.9427  204.604   13.181  214.211   23.196  200.022   16.019  176.861   9.6784  171.350   6.8988 5.511002 11.88549 
1 1 1   -4    8   68 o  150.612   5.0461  154.634   10.293  155.884   14.830  153.473   14.299  151.185   7.2386  150.039   7.0324 1.146454 10.09222 
1 1 1   -4    8   69 o  129.554   6.5736  117.490   10.631  108.659   18.807  121.636   12.887  125.587   11.051  133.520   7.1223 -7.932961 13.14728 
1 1 1   -4    8   70 o  115.639   6.9895   94.930   9.9436   84.545   17.837   99.613   11.977  110.518   11.910  120.759   7.3192 -10.24088 13.97900 
1 1 1   -4    8   71 o   60.439   8.2817   26.197   6.5911   20.736   9.4962   31.273   9.1556   53.509   13.182   67.369   10.029 -13.85948 16.56339 
1 1 1   -4    8   72 o  136.855   6.8108  136.648   11.506  150.738   14.135  108.985   19.806  148.470   7.0256  125.240   11.670 23.22991 13.62164 
1 1 1   -4    8   73 o   61.805   8.2646   27.419   6.6675   27.733   9.5196   27.117   9.3415   62.148   11.734   61.462   11.642 0.6854210 16.52915 
1 1 1   -4    8   74 o  150.074   7.0723  154.370   14.383   0.0000   0.0000  154.370   14.383  ?   ?   150.074   7.0723      ?      ? 
1 1 1   -4    8   75 o  128.382   5.2198  113.307   9.0715  107.151   12.808  119.504   12.850  124.835   7.5711  131.929   7.1877 -7.094452 10.43959 
1 1 1   -4    8   76 o   61.395   7.9153   26.920   6.4011   31.911   9.2104   22.257   8.9025   67.652   10.047   55.139   12.234 12.51295 15.83065 
1 1 1   -4    8   77 o   78.375   6.6688   43.384   6.9102   32.609   9.7406   54.302   9.8046   68.169   10.544   88.581   8.1679 -20.41161 13.33767 
1 1 1   -4    8   78 o  136.386   5.0577  128.329   9.3466  125.670   13.178  131.020   13.259  134.946   7.2063  137.826   7.0988 -2.880005 10.11548 
1 1 1   -4    8   79 o  163.743   5.7077  176.965   12.074  157.477   14.675  217.804   21.243  150.924   7.1751  176.562   8.8786 -25.63768 11.41542 
1 1 1   -4    8   80 o   40.294   10.100   9.6200   7.6372   0.1050   11.249   17.757   10.402   32.122   13.939   48.467   14.620 -16.34437 20.19976 
1 1 1   -4    8   81 o  106.400   6.7293   78.427   9.2567   85.606   15.909   74.752   11.382  109.401   10.731  103.400   8.1229 6.000587 13.45850 
1 1 1   -4    8   82 o  167.610   6.0095  194.972   12.917  206.093   22.423  189.449   15.802  170.182   9.7228  165.038   7.0655 5.143494 12.01895 
1 1 1   -4    8   83 o   88.367   7.4277   56.244   8.5165   56.379   14.204   56.168   10.642   87.667   11.956   89.068   8.8166 -1.400703 14.85536 
1 1 1   -4    8   84 o   49.697   17.653   19.442   14.929   0.0000   0.0000   19.442   14.929  ?   ?    49.697   17.653      ?      ? 
1 1 1   -4    8   86 f   37.926   16.173   5.0911   14.650   0.0000   0.0000   5.0911   14.650  ?   ?    37.926   16.173      ?      ? 
1 1 1   -4    8   87 o   62.241   11.347   30.799   9.7869   21.052   12.693   45.091   15.370   50.396   16.298   74.087   15.792 -23.69093 22.69362 
1 1 1   -4    8   88 f   56.866   11.858   27.852   9.6905   28.747   12.379   26.437   15.573   58.841   15.360   54.892   18.070 3.949020 23.71641 
1 1 1   -4    8   89 f   84.959   10.030   58.188   10.958   62.163   14.400   52.722   16.889   90.774   11.706   79.145   16.290 11.62971 20.06015 
1 1 1   -4    8   90 o  103.405   8.8585   80.516   12.238   65.288   16.059  101.607   18.899   91.604   12.936  115.206   12.105 -23.60187 17.71707 
1 1 1   -4    8   91 o   44.386   11.718   16.217   9.3851   15.993   12.245   16.536   14.611   43.974   15.943   44.797   17.177 -0.8234444 23.43551 
1 1 1   -4    8   92 o   67.536   11.881   40.586   10.747   36.647   14.158   45.941   16.508   64.129   16.267   70.943   17.322 -6.813614 23.76238 
1 1 1   -4    8   93 o   50.435   17.179   24.112   14.060   24.112   14.060   0.0000   0.0000   50.435   17.179  ?   ?       ?      ? 
1 1 1   -4    8   94 o   44.638   16.890   18.614   14.009   18.614   14.009   0.0000   0.0000   44.638   16.890  ?   ?       ?      ? 
1 1 1   -4    8   95 o   38.043   15.861   11.208   13.588   11.208   13.588   0.0000   0.0000   38.043   15.861  ?   ?       ?      ? 
1 1 1   -4    8   96 o   28.729   13.431  -3.4425   12.989  -3.4425   12.989   0.0000   0.0000   28.729   13.431  ?   ?       ?      ? 
1 1 1   -4    9    1 o  168.432   4.2651  192.312   9.7262  193.025   13.482  191.538   14.045  168.759   5.8955  168.106   6.1652 0.6533051 8.530294 
1 1 1   -4    9    2 f  218.862   4.3652  324.660   12.940  324.625   18.015  324.698   18.599  218.851   6.0744  218.873   6.2707 -0.2209473E-01 8.730424 
1 1 1   -4    9    3 o  170.636   4.2703  197.274   9.8654  195.734   13.638  198.964   14.288  169.939   5.9222  171.333   6.1539 -1.394760 8.540639 
1 1 1   -4    9    4 o  648.629   7.7936  2852.41   68.490  2920.54   98.001  2787.36   95.758  656.197   11.021  641.061   11.023 15.13617 15.58718 
1 1 1   -4    9    5 o  247.585   4.5326  414.107   15.182  388.126   20.795  443.764   22.217  239.296   6.4127  255.873   6.4075 -16.57762 9.065212 
1 1 1   -4    9    6 o  741.102   8.7022  3722.63   87.349  3618.44  121.147  3835.44  126.060  730.317   12.241  751.886   12.372 -21.56915 17.40435 
1 1 1   -4    9    7 o  402.733   5.5608  1099.57   30.347  1102.29   42.724  1096.80   43.112  403.237   7.8187  402.228   7.9095 1.009186 11.12167 
1 1 1   -4    9    8 o  437.793   5.8601  1299.44   34.765  1309.97   49.109  1288.86   49.220  439.572   8.2442  436.013   8.3303 3.558685 11.72014 
1 1 1   -4    9    9 o  861.130   12.176  5055.24  134.304  4980.95  230.487  5093.44  165.259  855.966   19.870  866.295   14.077 -10.32880 24.35164 
1 1 1   -4    9   10 o  524.330   8.1923  1883.26   55.206  1806.07   93.437  1924.66   68.427  515.896   13.365  532.764   9.4779 -16.86823 16.38464 
1 1 1   -4    9   11 o  462.879   6.9990  1458.34   38.211  1463.94   44.279  1441.99   75.621  464.723   7.0311  461.034   12.104 3.688629 13.99792 
1 1 1   -4    9   12 o  365.320   6.0137  883.140   25.668  862.897   29.413  947.786   52.562  356.808   6.0831  373.833   10.376 -17.02570 12.02731 
1 1 1   -4    9   13 f  475.581   7.1131  1523.55   39.696  1513.38   45.762  1554.47   79.789  472.499   7.1469  478.663   12.301 -6.163605 14.22628 
1 1 1   -4    9   14 o  272.464   6.4939  503.185   23.963  528.013   34.233  479.331   33.555  279.055   9.0526  265.874   9.3131 13.18082 12.98776 
1 1 1   -4    9   16 o  358.341   6.0943  870.347   29.594  870.347   29.594   0.0000   0.0000  358.341   6.0943  ?   ?       ?      ? 
1 1 1   -4    9   17 o  698.003   9.5781  3329.61   78.955  3353.75   91.640  3260.08  155.538  703.239   9.6161  692.766   16.568 10.47339 19.15628 
1 1 1   -4    9   18 o  436.458   6.7873  1291.30   40.144  1291.30   40.144   0.0000   0.0000  436.458   6.7873  ?   ?       ?      ? 
1 1 1   -4    9   19 f  220.805   5.2049  330.435   15.574  330.435   15.574   0.0000   0.0000  220.805   5.2049  ?   ?       ?      ? 
1 1 1   -4    9   20 o  537.339   7.7408  1913.00   48.328  1871.58   55.251  2047.93   99.715  525.407   7.7600  549.272   13.396 -23.86505 15.48166 
1 1 1   -4    9   21 o  164.118   6.1771  182.574   13.738  182.574   13.738   0.0000   0.0000  164.118   6.1771  ?   ?       ?      ? 
1 1 1   -4    9   22 o  151.341   5.2476  157.705   10.365  145.835   16.781  165.028   13.180  146.652   8.4438  156.031   6.2332 -9.379166 10.49530 
1 1 1   -4    9   23 o  536.490   8.1929  1893.99   55.372  2112.49  101.009  1800.12   66.206  557.807   13.363  515.174   9.4833 42.63287 16.38577 
1 1 1   -4    9   24 o  817.888   11.587  4520.93  120.718  4622.62  211.395  4471.72  147.054  824.244   18.926  811.531   13.372 12.71320 23.17308 
1 1 1   -4    9   25 o  299.439   9.5412  608.210   38.716  608.210   38.716   0.0000   0.0000  299.439   9.5412  ?   ?       ?      ? 
1 1 1   -4    9   26 o  114.654   4.8759   89.264   7.5637   84.834   10.806   93.519   10.590  111.858   7.1290  117.450   6.6539 -5.591637 9.751776 
1 1 1   -4    9   27 o  236.584   4.5580  379.380   14.611  386.831   20.826  372.158   20.505  238.871   6.4336  234.296   6.4582 4.574799 9.115932 
1 1 1   -4    9   28 o  701.929   8.3403  3344.76   79.332  3328.15  111.861  3361.56  112.528  700.177   11.789  703.682   11.801 -3.504822 16.68051 
1 1 1   -4    9   29 o  662.009   7.9578  2974.86   71.390  2975.27  101.013  2974.45  100.910  662.054   11.259  661.964   11.249 0.9082031E-01 15.91563 
1 1 1   -4    9   30 o  226.798   4.5816  348.674   14.080  354.964   20.070  342.579   19.758  228.812   6.4726  224.784   6.4861 4.027374 9.163201 
1 1 1   -4    9   31 o  265.454   5.9551  484.690   19.980  459.155   34.838  497.205   24.390  260.114   9.8833  270.793   6.6464 -10.67920 11.91029 
1 1 1   -4    9   32 o  326.214   6.2812  709.062   25.850  757.231   46.593  687.642   31.070  333.999   10.294  318.429   7.2002 15.57013 12.56235 
1 1 1   -4    9   33 o  503.860   6.4961  1722.83   44.355  1719.73   62.717  1725.92   62.739  503.407   9.1936  504.314   9.1802 -0.9062195 12.99226 
1 1 1   -4    9   34 o  450.150   6.0303  1374.94   36.786  1369.60   52.000  1380.30   52.045  449.273   8.5410  451.027   8.5152 -1.753296 12.06062 
1 1 1   -4    9   35 o  340.920   5.1963  788.010   24.001  807.084   34.416  769.953   33.487  344.933   7.3628  336.907   7.3347 8.026611 10.39270 
1 1 1   -4    9   36 o  331.460   7.3010  745.315   32.794  745.315   32.794   0.0000   0.0000  331.460   7.3010  ?   ?       ?      ? 
1 1 1   -4    9   37 o  403.310   5.6660  1103.21   30.957  1067.49   43.229  1140.82   44.353  396.610   8.0432  410.011   7.9826 -13.40103 11.33209 
1 1 1   -4    9   38 o  199.970   5.6906  266.227   14.330  257.829   17.192  285.343   25.937  194.961   6.5072  204.980   9.3376 -10.01859 11.38130 
1 1 1   -4    9   39 o  260.752   5.9017  460.576   19.482  458.752   23.634  464.443   34.414  260.038   6.7069  261.465   9.7127 -1.426422 11.80337 
1 1 1   -4    9   40 o  248.815   4.6655  420.025   15.728  409.424   22.171  430.763   22.316  245.651   6.6602  251.978   6.5353 -6.326691 9.331033 
1 1 1   -4    9   41 o  180.718   4.5380  221.272   11.106  231.723   16.048  211.667   15.385  184.808   6.4080  176.628   6.4275 8.179489 9.076086 
1 1 1   -4    9   42 o  288.579   5.9331  573.669   22.152  594.224   27.773  537.731   36.724  295.896   6.9264  281.262   9.6350 14.63391 11.86627 
1 1 1   -4    9   43 o  239.902   5.6996  400.636   17.731  428.951   22.531  354.572   28.737  251.408   6.6132  228.396   9.2848 23.01157 11.39923 
1 1 1   -4    9   44 o  405.171   6.8989  1101.41   35.729  1072.40   43.514  1161.44   62.592  397.329   8.0816  413.014   11.183 -15.68524 13.79784 
1 1 1   -4    9   45 o  287.895   4.9085  562.679   19.143  542.777   26.933  583.001   27.215  282.743   7.0292  293.047   6.8531 -10.30432 9.817083 
1 1 1   -4    9   46 o  314.518   5.0697  671.707   21.605  675.234   30.823  668.301   30.292  315.325   7.2133  313.711   7.1256 1.614563 10.13933 
1 1 1   -4    9   47 o  233.892   4.7076  371.630   14.909  354.406   21.090  388.836   21.078  228.460   6.8120  239.323   6.4993 -10.86278 9.415132 
1 1 1   -4    9   48 o  398.849   5.6862  1081.27   30.732  1081.00   43.682  1081.53   43.245  398.794   8.0830  398.904   7.9999 -0.1103516 11.37246 
1 1 1   -4    9   49 o  299.461   6.1893  610.031   23.485  609.931   41.321  610.078   28.543  299.235   10.190  299.687   7.0282 -0.4517517 12.37865 
1 1 1   -4    9   50 f  197.598   6.4862  265.157   17.368   0.0000   0.0000  265.157   17.368  ?   ?   197.598   6.4862      ?      ? 
1 1 1   -4    9   51 o  424.222   7.2153  1216.42   38.909  1255.88   68.556  1197.67   47.259  428.836   11.797  419.607   8.3110 9.228882 14.43056 
1 1 1   -4    9   52 o  288.764   5.0014  566.567   19.558  538.504   27.437  595.556   27.886  281.481   7.1930  296.047   6.9510 -14.56573 10.00278 
1 1 1   -4    9   53 o  344.553   5.3305  807.306   24.887  796.976   35.243  817.580   35.149  342.345   7.5967  346.762   7.4799 -4.415985 10.66107 
1 1 1   -4    9   54 f  349.075   5.3505  828.776   25.309  824.249   35.942  833.229   35.644  348.120   7.6188  350.030   7.5145 -1.909363 10.70108 
1 1 1   -4    9   55 o  353.188   6.6963  860.841   30.267  883.503   37.405  817.861   51.512  360.377   7.6593  345.999   10.986 14.37756 13.39269 
1 1 1   -4    9   56 o  203.104   4.7226  280.189   12.992  287.396   18.719  273.490   18.047  205.619   6.7179  200.590   6.6393 5.028732 9.445125 
1 1 1   -4    9   57 o  244.097   4.8214  404.365   15.934  425.923   23.112  384.837   21.997  250.286   6.8142  237.907   6.8228 12.37889 9.642843 
1 1 1   -4    9   58 o  177.718   4.7746  214.585   11.492  219.913   16.591  209.670   15.934  179.831   6.8083  175.604   6.6958 4.227402 9.549123 
1 1 1   -4    9   59 o  248.057   4.9013  418.392   16.470  424.356   23.655  412.781   22.947  249.764   6.9889  246.350   6.8736 3.413895 9.802590 
1 1 1   -4    9   60 o  366.931   5.5554  915.987   27.607  875.528   38.354  959.484   39.769  358.524   7.8943  375.339   7.8187 -16.81506 11.11088 
1 1 1   -4    9   61 o  292.850   5.0744  583.679   20.134  568.425   28.335  599.236   28.616  288.974   7.2357  296.725   7.1165 -7.750671 10.14887 
1 1 1   -4    9   62 o  253.643   4.9001  437.884   16.841  433.593   23.876  442.133   23.759  252.398   6.9806  254.888   6.8785 -2.490021 9.800128 
1 1 1   -4    9   63 o  173.722   5.7170  203.982   12.977  199.117   16.230  212.606   21.609  171.014   7.0034  176.430   9.0381 -5.415710 11.43390 
1 1 1   -4    9   64 o  214.708   4.8707  314.300   14.154  301.545   20.230  326.532   19.810  210.403   7.0950  219.013   6.6749 -8.610291 9.741313 
1 1 1   -4    9   65 o   57.921   9.6551   27.261   7.6420   10.721   13.789   34.595   9.1811   44.753   16.795   71.089   9.5304 -26.33571 19.31025 
1 1 1   -4    9   66 o  168.777   4.9027  194.403   11.197  188.205   16.110  200.194   15.573  166.139   7.1555  171.415   6.7040 -5.275787 9.805314 
1 1 1   -4    9   67 o   84.371   6.5334   49.437   7.3656   41.644   10.689   56.483   10.164   77.857   10.131   90.884   8.2528 -13.02667 13.06671 
1 1 1   -4    9   68 o  131.481   5.3173  119.406   9.3143   94.450   13.168  144.395   13.177  117.466   8.2722  145.497   6.6831 -28.03056 10.63456 
1 1 1   -4    9   69 o  141.860   6.3797  138.573   11.351  137.155   20.276  139.221   13.699  140.968   10.614  142.752   7.0815 -1.784225 12.75944 
1 1 1   -4    9   70 o   95.451   7.8138   63.547   9.3027   64.265   11.203   61.952   16.695   96.745   8.5453   94.157   13.084 2.588089 15.62765 
1 1 1   -4    9   71 o  106.719   5.6991   78.367   8.2157   71.519   11.651   85.139   11.586  102.006   8.4289  111.432   7.6728 -9.426170 11.39815 
1 1 1   -4    9   72 o   97.499   5.9014   65.254   7.7662   73.774   11.274   57.559   10.714  103.597   8.0305   91.402   8.6498 12.19501 11.80282 
1 1 1   -4    9   73 o  104.136   5.6177   74.883   7.9003   69.757   11.367   79.675   10.988  100.594   8.3383  107.678   7.5304 -7.083557 11.23542 
1 1 1   -4    9   74 o   73.137   6.7387   37.254   6.6558   35.711   9.6926   38.631   9.1558   71.612   9.9878   74.663   9.0491 -3.050873 13.47750 
1 1 1   -4    9   75 o  103.236   5.6397   73.557   7.8855   75.964   11.388   71.341   10.929  104.847   8.0154  101.626   7.9360 3.220596 11.27948 
1 1 1   -4    9   76 o  219.270   4.9013  330.701   14.540  305.297   20.200  358.013   20.945  210.464   7.0827  228.075   6.7767 -17.61038 9.802518 
1 1 1   -4    9   77 o   67.577   7.5955   33.002   6.6868   26.828   9.4679   39.146   9.4453   60.370   11.996   74.784   9.3202 -14.41384 15.19090 
1 1 1   -4    9   78 o   86.603   12.494   54.152   14.663   54.152   14.663   0.0000   0.0000   86.603   12.494  ?   ?       ?      ? 
1 1 1   -4    9   79 o  158.943   6.9847  179.594   14.964  160.432   21.290  198.301   21.036  150.110   10.466  167.777   9.2522 -17.66747 13.96949 
1 1 1   -4    9   80 o   90.308   7.4777   58.461   8.6924   58.190   14.723   58.605   10.770   89.363   12.158   91.253   8.7092 -1.889565 14.95543 
1 1 1   -4    9   81 o   46.833   9.6127   15.330   8.0421  -2.1103   11.918   29.910   10.897   31.180   13.903   62.486   13.278 -31.30662 19.22548 
1 1 1   -4    9   82 o   75.425   17.455   46.893   17.487   0.0000   0.0000   46.893   17.487  ?   ?    75.425   17.455      ?      ? 
1 1 1   -4    9   83 o   73.486   10.632   40.402   10.455   24.058   13.496   64.936   16.535   54.100   16.718   92.873   13.138 -38.77213 21.26302 
1 1 1   -4    9   84 o  128.137   11.821  121.876   20.526   0.0000   0.0000  121.876   20.526  ?   ?   128.137   11.821      ?      ? 
1 1 1   -4    9   85 o   53.005   11.944   22.196   9.6858   15.808   12.470   31.909   15.378   45.128   16.123   60.883   17.627 -15.75557 23.88860 
1 1 1   -4    9   86 o   60.539   11.482   31.985   9.8485   37.508   12.742   23.791   15.521   68.471   14.199   52.606   18.048 15.86488 22.96372 
1 1 1   -4    9   87 o   46.214   11.012   17.051   9.4762   26.817   11.998   0.8560   15.450   56.758   15.266   35.670   15.874 21.08805 22.02337 
1 1 1   -4    9   88 o   56.839   10.599   19.913   9.8722   0.7956   12.273   54.965   16.618   32.392   14.294   81.286   15.654 -48.89390 21.19803 
1 1 1   -4    9   89 o   45.878   11.747   17.552   9.2846   17.449   11.927   17.711   14.792   45.666   15.812   46.090   17.375 -0.4239807 23.49317 
1 1 1   -4    9   90 o   53.454   11.704   21.809   9.7648   10.417   12.163   42.470   16.379   38.724   15.427   68.184   17.605 -29.46030 23.40780 
1 1 1   -4    9   91 o   45.368   11.031   17.217   9.6423   28.553   12.578   1.0607   15.016   56.549   15.802   34.187   15.397 22.36186 22.06290 
1 1 1   -4    9   92 o   42.701   16.394   15.835   13.321   15.835   13.321   0.0000   0.0000   42.701   16.394  ?   ?       ?      ? 
1 1 1   -4    9   93 o   44.925   16.583   19.123   13.334   19.123   13.334   0.0000   0.0000   44.925   16.583  ?   ?       ?      ? 
1 1 1   -4    9   94 o   42.683   16.533   17.531   13.637   17.531   13.637   0.0000   0.0000   42.683   16.533  ?   ?       ?      ? 
1 1 1   -4    9   95 o   53.475   17.647   31.352   14.849   31.352   14.849   0.0000   0.0000   53.475   17.647  ?   ?       ?      ? 
1 1 1   -4   10    1 o  687.296   8.1908  3203.61   76.270  3150.81  106.457  3259.29  109.323  681.484   11.528  693.108   11.639 -11.62372 16.38161 
1 1 1   -4   10    2 o  269.716   5.8562  500.768   20.289  468.972   34.155  518.105   25.220  262.969   9.5844  276.463   6.7318 -13.49432 11.71231 
1 1 1   -4   10    3 o  675.221   9.9347  3118.26   86.262  3020.68  146.210  3170.36  106.838  666.847   16.180  683.595   11.533 -16.74768 19.86937 
1 1 1   -4   10    4 o  322.776   7.0861  706.468   30.990  713.812   44.322  699.443   43.346  324.415   10.082  321.137   9.9604 3.277924 14.17221 
1 1 1   -4   10    5 o  784.814   11.218  4191.97  112.641  4209.17  138.315  4158.09  194.098  787.529   12.960  782.099   18.314 5.429993 22.43575 
1 1 1   -4   10    6 o  447.292   7.2516  1329.81   40.993  1284.28   49.304  1431.78   73.776  435.215   8.3599  459.370   11.851 -24.15506 14.50322 
1 1 1   -4   10    7 o  247.973   9.0323  416.975   30.352   0.0000   0.0000  416.975   30.352  ?   ?   247.973   9.0323      ?      ? 
1 1 1   -4   10    8 o  304.135   5.9411  630.008   23.146  635.965   28.492  618.449   39.689  306.294   6.8645  301.975   9.6987 4.318115 11.88218 
1 1 1   -4   10    9 o  372.737   7.4877  942.448   37.817  959.933   53.580  925.092   53.384  376.185   10.510  369.289   10.667 6.896057 14.97543 
1 1 1   -4   10   10 o  853.900   13.922  4950.27  160.937  5189.76  234.103  4735.67  221.609  873.428   19.779  834.372   19.599 39.05591 27.84484 
1 1 1   -4   10   11 o  421.140   7.0178  1204.86   37.813  1208.75   46.418  1197.18   65.197  422.224   8.1126  420.056   11.453 2.168182 14.03557 
1 1 1   -4   10   12 o  186.786   5.3890  239.876   12.907  247.317   16.000  226.007   21.843  191.013   6.1811  182.560   8.8294 8.452896 10.77793 
1 1 1   -4   10   13 o  978.943   15.745  6510.75  208.876  6510.75  208.876   0.0000   0.0000  978.943   15.745  ?   ?       ?      ? 
1 1 1   -4   10   14 o  579.393   10.127  2277.15   79.515  2277.15   79.515   0.0000   0.0000  579.393   10.127  ?   ?       ?      ? 
1 1 1   -4   10   15 o  393.004   7.8054  1047.24   41.570  1047.24   41.570   0.0000   0.0000  393.004   7.8054  ?   ?       ?      ? 
1 1 1   -4   10   16 o  168.350   5.1642  194.549   10.417  197.362   12.208  187.014   19.977  170.642   5.2792  166.059   8.8773 4.582840 10.32847 
1 1 1   -4   10   17 o  895.939   11.880  5454.28  124.925  5451.35  144.268  5463.06  249.765  896.211   11.879  895.667   20.578 0.5441284 23.76051 
1 1 1   -4   10   18 o  495.621   7.8156  1666.26   49.500  1665.01   60.630  1668.75   85.721  495.467   9.0301  495.776   12.759 -0.3089294 15.63124 
1 1 1   -4   10   19 o  567.224   8.1289  2177.99   54.153  2172.28   62.519  2195.14  108.364  565.977   8.1513  568.472   14.067 -2.495361 16.25785 
1 1 1   -4   10   20 o  138.701   6.0151  133.766   10.794  142.910   13.666  118.601   17.599  145.183   6.9460  132.218   9.8224 12.96480 12.03025 
1 1 1   -4   10   21 o  364.656   7.7082  901.716   38.091  901.716   38.091   0.0000   0.0000  364.656   7.7082  ?   ?       ?      ? 
1 1 1   -4   10   22 o  860.501   11.460  4978.56  114.788  4925.33  131.702  5146.81  234.138  851.825   11.409  869.177   19.878 -17.35199 22.91990 
1 1 1   -4   10   23 o  309.921   6.0912  662.476   24.322  689.169   30.385  614.867   40.578  318.812   7.0330  301.030   9.9473 17.78159 12.18242 
1 1 1   -4   10   24 o  523.950   8.1528  1875.94   54.882  1902.94   67.866  1824.91   93.299  529.603   9.4562  518.298   13.284 11.30499 16.30559 
1 1 1   -4   10   25 o  375.175   5.4307  954.346   27.607  974.158   39.389  935.218   38.703  379.002   7.6692  371.349   7.6910 7.653046 10.86131 
1 1 1   -4   10   26 f  432.585   8.3271  1269.36   48.814  1269.36   48.814   0.0000   0.0000  432.585   8.3271  ?   ?       ?      ? 
1 1 1   -4   10   27 o  631.637   7.6740  2706.96   65.664  2780.07   94.341  2638.26   91.452  639.901   10.879  623.373   10.826 16.52808 15.34795 
1 1 1   -4   10   28 o  227.417   5.8289  358.145   16.692  330.705   29.101  371.598   20.376  220.736   9.7288  234.098   6.4231 -13.36255 11.65785 
1 1 1   -4   10   29 o  112.671   6.6173   89.630   9.0652   78.119   16.522   94.587   10.843  107.242   11.369  118.100   6.7751 -10.85777 13.23465 
1 1 1   -4   10   30 o  173.745   4.4957  204.666   10.584  208.185   15.090  201.259   14.849  175.214   6.3551  172.275   6.3607 2.939087 8.991415 
1 1 1   -4   10   31 o  207.444   4.5366  291.770   12.751  295.962   18.217  287.743   17.854  208.904   6.4351  205.984   6.3963 2.920029 9.073194 
1 1 1   -4   10   32 o  177.519   4.5043  213.774   10.833  209.096   15.363  218.401   15.278  175.585   6.4566  179.454   6.2824 -3.869034 9.008666 
1 1 1   -4   10   33 o  168.680   4.5360  193.064   10.361  184.216   14.634  201.956   14.671  164.800   6.5527  172.561   6.2741 -7.760376 9.072068 
1 1 1   -4   10   34 f  203.105   4.5598  279.741   12.547  288.305   17.891  271.452   17.602  206.165   6.4037  200.046   6.4929 6.119263 9.119547 
1 1 1   -4   10   35 o  298.070   6.0843  596.677   23.007  584.954   27.859  621.821   40.801  293.620   7.0016  302.520   9.9525 -8.899567 12.16859 
1 1 1   -4   10   36 o  198.977   5.7061  270.269   14.367  272.994   17.483  264.601   25.212  200.600   6.4315  197.353   9.4272 3.247604 11.41212 
1 1 1   -4   10   37 o  502.203   6.5010  1713.25   44.240  1734.31   63.002  1692.76   62.136  505.246   9.2018  499.160   9.1859 6.085999 13.00204 
1 1 1   -4   10   38 o  215.077   4.5854  313.901   13.363  311.543   18.990  316.214   18.808  214.274   6.5400  215.880   6.4290 -1.605438 9.170816 
1 1 1   -4   10   39 o  158.276   5.5557  172.610   11.429  179.537   14.427  160.939   18.726  162.655   6.5452  153.897   8.9789 8.758621 11.11132 
1 1 1   -4   10   40 o  422.516   7.0899  1205.38   38.332  1187.82   46.862  1240.88   66.632  418.156   8.2699  426.876   11.519 -8.720276 14.17989 
1 1 1   -4   10   41 o  396.609   6.8765  1075.86   35.113  1089.58   43.505  1050.22   59.475  400.495   8.0160  392.722   11.175 7.772980 13.75302 
1 1 1   -4   10   42 o  132.069   4.9018  118.508   8.7610  116.591   12.665  120.267   12.132  131.037   7.1325  133.102   6.7260 -2.065079 9.803639 
1 1 1   -4   10   43 f  380.058   5.5546  980.380   28.593  1013.30   41.257  949.954   39.663  386.187   7.8834  373.928   7.8274 12.25873 11.10928 
1 1 1   -4   10   44 o  274.971   6.9750  513.462   25.990  513.462   25.990   0.0000   0.0000  274.971   6.9750  ?   ?       ?      ? 
1 1 1   -4   10   45 o  138.024   4.8518  130.112   9.0019  111.441   12.754  148.645   12.707  128.078   7.3486  147.970   6.3370 -19.89212 9.703551 
1 1 1   -4   10   46 o  215.089   5.7901  314.114   15.660  315.700   27.987  313.390   18.896  215.347   9.5904  214.831   6.4905 0.5158844 11.58028 
1 1 1   -4   10   47 o  144.592   6.2592  148.148   11.100  127.920   19.873  157.319   13.382  136.980   10.706  152.203   6.4881 -15.22269 12.51842 
1 1 1   -4   10   48 o  326.942   6.4162  734.746   26.765  706.115   45.980  749.420   32.917  321.813   10.543  332.072   7.3149 -10.25864 12.83245 
1 1 1   -4   10   49 o  468.158   7.7032  1496.11   46.008  1493.47   79.822  1497.43   56.300  467.295   12.605  469.021   8.8580 -1.725159 15.40636 
1 1 1   -4   10   50 o  268.506   4.9077  489.948   17.851  490.056   25.580  489.845   24.923  268.525   7.0297  268.487   6.8502 0.3729248E-01 9.815330 
1 1 1   -4   10   51 o  181.737   4.7044  224.395   11.576  225.287   16.738  223.576   16.026  182.073   6.7839  181.401   6.5195 0.6719971 9.408782 
1 1 1   -4   10   52 o   91.312   7.4782   55.451   8.7791   52.498   10.700   61.534   15.358   87.783   8.9945   94.841   11.949 -7.057968 14.95633 
1 1 1   -4   10   53 o  169.478   6.0343  199.367   13.084  207.776   16.238  183.798   22.094  174.825   6.8540  164.131   9.9334 10.69458 12.06857 
1 1 1   -4   10   54 o  135.738   5.0038  125.333   9.1811  124.843   13.456  125.759   12.559  135.472   7.3295  136.005   6.8141 -0.5328369 10.00765 
1 1 1   -4   10   55 o  306.757   5.1207  640.206   21.283  636.383   30.310  643.924   29.893  305.841   7.3132  307.673   7.1696 -1.831116 10.24133 
1 1 1   -4   10   56 o  190.783   4.8145  247.554   12.436  246.992   17.966  248.072   17.231  190.559   6.9572  191.006   6.6569 -0.4471741 9.628992 
1 1 1   -4   10   57 o  242.091   4.9326  398.809   16.175  394.728   23.146  402.706   22.614  240.864   7.0912  243.318   6.8583 -2.454483 9.865149 
1 1 1   -4   10   58 o  358.633   5.4844  875.784   26.649  851.096   37.412  901.212   37.968  353.490   7.8099  363.775   7.7021 -10.28464 10.96888 
1 1 1   -4   10   59 o  121.639   7.8121  100.803   12.877  100.803   12.877   0.0000   0.0000  121.639   7.8121  ?   ?       ?      ? 
1 1 1   -4   10   60 o   75.436   6.8186   38.642   6.9473   42.403   10.335   35.541   9.3838   78.760   9.6830   72.112   9.6027 6.647957 13.63716 
1 1 1   -4   10   61 o   84.636   7.4885   49.950   8.3701   53.751   10.952   44.612   12.979   88.699   9.1115   80.574   11.887 8.124664 14.97696 
1 1 1   -4   10   62 o  163.514   6.8360  183.185   15.088  180.514   22.259  185.455   20.521  162.333   10.118  164.696   9.1947 -2.362793 13.67194 
1 1 1   -4   10   63 o  144.571   6.2287  140.390   11.299  149.507   20.540  136.433   13.531  147.647   10.266  141.494   7.0567 6.153625 12.45736 
1 1 1   -4   10   64 o  131.366   5.2632  117.621   9.3533  119.719   13.684  115.781   12.814  132.442   7.6242  130.290   7.2578 2.152039 10.52631 
1 1 1   -4   10   65 o  154.535   5.0283  163.246   10.509  153.920   15.014  172.205   14.715  150.159   7.3784  158.912   6.8332 -8.753326 10.05652 
1 1 1   -4   10   66 o  184.434   4.8641  232.188   12.150  230.293   17.431  233.979   16.946  183.678   7.0030  185.191   6.7524 -1.511978 9.728136 
1 1 1   -4   10   67 o   97.590   6.0491   65.510   7.9551   63.289   11.773   67.377   10.791   95.993   9.0504   99.187   8.0285 -3.194214 12.09820 
1 1 1   -4   10   68 o   39.133   11.094   5.7241   8.9724   7.6211   12.891   3.9416   12.496   40.833   16.003   37.432   15.371 3.400921 22.18883 
1 1 1   -4   10   69 o  127.810   5.3293  112.018   9.2148  110.935   13.389  112.993   12.701  127.177   7.7690  128.443   7.2971 -1.266068 10.65861 
1 1 1   -4   10   70 o  121.311   5.4910  102.346   8.8757   82.008   12.653  122.050   12.454  109.119   8.5565  133.503   6.8839 -24.38320 10.98192 
1 1 1   -4   10   71 o  189.570   4.8862  246.301   12.547  249.412   18.055  243.397   17.448  190.702   6.9867  188.438   6.8327 2.264236 9.772386 
1 1 1   -4   10   72 o   83.365   6.6768   48.994   7.3309   35.870   10.321   62.359   10.415   71.649   10.629   95.080   8.0833 -23.43056 13.35370 
1 1 1   -4   10   73 o   73.796   7.3031   39.247   6.8653   27.922   9.6598   50.806   9.7591   61.921   11.945   85.670   8.4062 -23.74870 14.60612 
1 1 1   -4   10   74 o  123.927   5.2563  106.085   8.8179  100.572   12.475  111.590   12.466  120.646   7.6305  127.209   7.2312 -6.562553 10.51260 
1 1 1   -4   10   75 o   83.301   6.4371   48.563   7.1897   57.730   10.344   39.995   10.000   91.113   8.3776   75.489   9.7756 15.62433 12.87425 
1 1 1   -4   10   76 o  169.107   6.2095  202.320   13.353  192.619   22.949  207.285   16.419  165.051   10.261  173.163   6.9968 -8.111893 12.41906 
1 1 1   -4   10   77 o   66.495   9.6901   37.099   8.1520   21.402   13.848   45.425   10.085   52.667   17.022   80.323   9.2648 -27.65611 19.38017 
1 1 1   -4   10   78 o  130.280   10.037  120.799   17.719   0.0000   0.0000  120.799   17.719  ?   ?   130.280   10.037      ?      ? 
1 1 1   -4   10   79 o   60.246   9.4122   31.567   7.8279   12.697   13.046   42.182   9.7851   43.418   16.328   77.075   9.3685 -33.65704 18.82450 
1 1 1   -4   10   80 o   95.431   8.8889   67.626   11.411   69.105   15.386   65.818   17.013   97.146   11.687   93.716   13.396 3.430222 17.77774 
1 1 1   -4   10   81 o   76.580   10.295   45.679   10.266   41.268   13.876   51.011   15.258   72.366   14.653   80.794   14.467 -8.427879 20.59095 
1 1 1   -4   10   82 o   40.085   11.083   9.3190   8.7170   5.4216   11.424   14.751   13.487   35.430   14.639   44.740   16.645 -9.309795 22.16615 
1 1 1   -4   10   83 o  118.734   12.405  105.957   19.959   0.0000   0.0000  105.957   19.959  ?   ?   118.734   12.405      ?      ? 
1 1 1   -4   10   84 o   66.255   17.707   38.011   16.202   0.0000   0.0000   38.011   16.202  ?   ?    66.255   17.707      ?      ? 
1 1 1   -4   10   85 o  115.695   8.2600   97.435   12.722   76.940   16.578  126.796   19.842  100.894   12.125  130.495   11.220 -29.60152 16.52004 
1 1 1   -4   10   86 o   40.063   11.246   9.8781   8.8142   7.0407   11.013   14.933   14.701   35.792   14.532   44.334   17.168 -8.542023 22.49263 
1 1 1   -4   10   87 o   72.139   11.170   43.772   10.464   42.629   13.549   45.461   16.473   72.246   14.345   72.031   17.127 0.2146606 22.34070 
1 1 1   -4   10   88 o   50.069   11.598   22.487   9.4628   27.369   12.287   15.371   14.835   56.222   15.586   43.916   17.179 12.30629 23.19552 
1 1 1   -4   10   89 o   34.172   10.478   2.3483   8.8799  -2.9938   11.368   10.709   14.222   28.636   13.093   39.709   16.362 -11.07241 20.95576 
1 1 1   -4   10   90 o   46.135   11.927   18.827   9.7468   14.371   13.019   24.509   14.702   41.669   16.150   50.602   17.554 -8.932865 23.85310 
1 1 1   -4   10   91 o   47.436   11.958   21.517   9.7039   20.074   13.574   23.025   13.878   46.102   16.775   48.770   17.047 -2.668255 23.91661 
1 1 1   -4   10   92 o   46.331   16.748   21.150   13.498   21.150   13.498   0.0000   0.0000   46.331   16.748  ?   ?       ?      ? 
1 1 1   -4   10   93 f   54.751   17.250   31.379   14.291   31.379   14.291   0.0000   0.0000   54.751   17.250  ?   ?       ?      ? 
1 1 1   -4   10   94 o   37.468   15.731   12.387   13.505   12.387   13.505   0.0000   0.0000   37.468   15.731  ?   ?       ?      ? 
1 1 1   -4   11    1 o  358.177   5.3221  869.238   25.814  917.093   37.017  823.937   36.016  367.769   7.4275  348.584   7.6243 19.18527 10.64420 
1 1 1   -4   11    2 o  519.526   6.6446  1830.15   46.767  1801.41   65.200  1860.60   67.118  515.331   9.3364  523.721   9.4571 -8.389771 13.28929 
1 1 1   -4   11    3 o  353.552   6.4091  845.371   28.900  840.554   35.287  855.186   50.368  352.089   7.3957  355.015   10.470 -2.925476 12.81826 
1 1 1   -4   11    4 o  220.708   6.2493  330.328   18.679  328.748   25.919  332.036   26.942  220.162   8.6873  221.253   8.9859 -1.090607 12.49866 
1 1 1   -4   11    5 o  520.204   8.0643  1806.25   53.454  1925.34   94.475  1750.18   64.829  532.467   13.093  507.942   9.4183 24.52527 16.12863 
1 1 1   -4   11    6 o  536.400   6.7982  1951.34   49.407  2003.50   70.484  1900.96   69.276  543.447   9.5709  529.352   9.6572 14.09460 13.59649 
1 1 1   -4   11    7 o  282.447   4.8792  539.708   18.646  521.315   25.511  560.800   27.319  277.295   6.7891  287.598   7.0097 -10.30380 9.758430 
1 1 1   -4   11    8 o  420.381   7.1553  1166.10   37.507  1118.21   44.548  1282.73   69.514  406.064   8.0956  434.698   11.801 -28.63345 14.31061 
1 1 1   -4   11    9 o  663.574   9.8366  2935.21   81.907  2847.07   98.011  3139.27  149.136  647.677   11.167  679.472   16.197 -31.79547 19.67326 
1 1 1   -4   11   10 f  270.452   4.8157  495.268   17.630  483.036   24.258  508.961   25.667  266.920   6.7065  273.984   6.9129 -7.063965 9.631489 
1 1 1   -4   11   11 o  334.240   5.1662  757.705   23.393  773.899   32.975  741.296   33.193  337.840   7.2025  330.640   7.4081 7.199890 10.33233 
1 1 1   -4   11   12 o  514.522   7.6469  1814.45   46.547  1833.59   54.120  1760.06   91.234  519.992   7.6804  509.051   13.225 10.94116 15.29381 
1 1 1   -4   11   13 o  966.177   12.742  6266.87  143.004  6186.52  163.836  6523.92  293.044  954.461   12.667  977.893   22.114 -23.43207 25.48447 
1 1 1   -4   11   14 o  436.244   6.7943  1278.14   34.710  1265.50   39.943  1317.11   70.143  432.026   6.8226  440.461   11.752 -8.434784 13.58853 
1 1 1   -4   11   15 o  149.098   5.1331  147.056   9.2268  142.885   10.740  158.809   18.028  145.186   5.4588  153.011   8.6946 -7.825470 10.26620 
1 1 1   -4   11   16 o  358.783   6.5728  888.273   30.541  927.891   38.436  820.404   50.306  369.897   7.6678  347.669   10.678 22.22748 13.14553 
1 1 1   -4   11   17 o  445.332   6.8835  1336.47   35.967  1327.34   41.461  1364.25   72.307  442.440   6.9151  448.224   11.904 -5.784271 13.76694 
1 1 1   -4   11   18 o  191.910   5.1970  252.966   11.836  256.503   13.796  243.103   23.037  194.525   5.2334  189.295   8.9804 5.229568 10.39408 
1 1 1   -4   11   19 f  197.870   5.1640  265.128   12.188  264.696   14.189  266.343   23.803  197.604   5.2987  198.136   8.8651 -0.5314026 10.32796 
1 1 1   -4   11   20 f  332.031   5.9024  749.350   23.210  750.922   26.942  744.827   45.705  332.804   5.9739  331.258   10.182 1.546112 11.80477 
1 1 1   -4   11   21 o  400.362   6.4273  1050.74   29.953  1017.51   34.198  1160.23   62.074  387.372   6.5145  413.353   11.082 -25.98013 12.85466 
1 1 1   -4   11   22 o  346.712   6.0191  813.719   24.674  811.756   28.584  819.457   48.871  346.008   6.0962  347.417   10.380 -1.409058 12.03816 
1 1 1   -4   11   23 o  225.195   5.2495  343.900   14.127  343.806   16.470  344.162   27.483  225.194   5.3970  225.197   9.0057 -0.2593994E-02 10.49907 
1 1 1   -4   11   24 o  296.445   6.1454  610.655   23.693  654.330   30.227  541.058   38.157  310.594   7.1815  282.296   9.9743 28.29843 12.29073 
1 1 1   -4   11   25 o  335.860   6.4046  773.090   27.829  791.567   34.772  740.166   46.416  341.589   7.5118  330.130   10.375 11.45859 12.80919 
1 1 1   -4   11   26 o  261.961   7.0095  465.488   24.883  465.488   24.883   0.0000   0.0000  261.961   7.0095  ?   ?       ?      ? 
1 1 1   -4   11   27 o  372.775   6.3378  942.457   32.016  942.457   32.016   0.0000   0.0000  372.775   6.3378  ?   ?       ?      ? 
1 1 1   -4   11   28 o  168.890   4.5046  193.454   10.308  197.917   14.640  189.066   14.517  170.823   6.3244  166.957   6.4162 3.865707 9.009171 
1 1 1   -4   11   29 o  334.930   7.3235  761.166   33.240   0.0000   0.0000  761.166   33.240  ?   ?   334.930   7.3235      ?      ? 
1 1 1   -4   11   30 o  180.864   4.5325  221.781   11.106  228.929   15.906  214.982   15.514  183.707   6.3892  178.022   6.4307 5.685043 9.065028 
1 1 1   -4   11   31 o  327.535   6.2630  710.497   25.895  680.873   31.066  777.936   46.872  316.753   7.2373  338.318   10.224 -21.56512 12.52606 
1 1 1   -4   11   32 f  319.288   6.2510  691.955   25.379  691.051   30.934  693.818   44.389  319.103   7.1535  319.473   10.253 -0.3695679 12.50198 
1 1 1   -4   11   33 o  297.103   4.9370  599.044   19.876  592.388   28.061  605.746   28.159  295.445   7.0087  298.761   6.9552 -3.316040 9.874014 
1 1 1   -4   11   34 o  339.763   5.2105  783.647   23.990  783.985   33.961  783.311   33.894  339.836   7.3744  339.690   7.3631 0.1452026 10.42097 
1 1 1   -4   11   35 o  279.974   5.9284  540.603   21.401  560.454   26.734  505.187   35.709  287.357   6.8654  272.591   9.6669 14.76559 11.85671 
1 1 1   -4   11   36 o  179.396   5.4474  218.332   12.679  217.782   15.786  219.330   21.281  179.136   6.5030  179.655   8.7412 -0.5186462 10.89485 
1 1 1   -4   11   37 o  101.038   6.1395   69.030   8.1770   67.904   10.379   70.872   13.276   99.991   7.6600  102.085   9.5968 -2.093719 12.27900 
1 1 1   -4   11   38 o  165.845   4.6357  186.691   10.416  187.063   14.890  186.335   14.576  166.004   6.6191  165.686   6.4921 0.3177490 9.271440 
1 1 1   -4   11   39 o  251.416   6.6796  429.132   22.758   0.0000   0.0000  429.132   22.758  ?   ?   251.416   6.6796      ?      ? 
1 1 1   -4   11   40 o  370.186   5.4688  928.741   27.400  985.997   39.918  877.734   37.677  380.947   7.7326  359.425   7.7354 21.52243 10.93750 
1 1 1   -4   11   41 o  154.001   4.7306  160.825   9.8628  165.749   14.336  156.401   13.590  156.232   6.7712  151.770   6.6079 4.461594 9.461123 
1 1 1   -4   11   42 o  395.756   8.0633  1064.70   43.244  1064.70   43.244   0.0000   0.0000  395.756   8.0633  ?   ?       ?      ? 
1 1 1   -4   11   43 o  295.383   6.2287  599.621   23.360  576.104   40.518  611.329   28.589  290.782   10.282  299.983   7.0328 -9.200439 12.45748 
1 1 1   -4   11   44 o  236.176   5.8676  376.414   17.472  387.437   31.252  371.402   21.073  238.512   9.6691  233.839   6.6500 4.672333 11.73510 
1 1 1   -4   11   45 o  263.866   6.0247  485.642   20.319  436.040   34.113  512.918   25.296  252.961   9.9515  274.772   6.7937 -21.81064 12.04931 
1 1 1   -4   11   46 o  159.249   5.7906  171.834   11.717  174.508   20.584  170.553   14.251  160.051   9.4906  158.445   6.6373 1.606018 11.58124 
1 1 1   -4   11   47 o  187.872   5.7555  240.036   13.677  240.447   24.154  239.842   16.594  187.851   9.4884  187.893   6.5172 -0.4170227E-01 11.51103 
1 1 1   -4   11   48 o  245.625   4.8138  410.093   16.017  407.278   22.922  412.778   22.390  244.790   6.9100  246.460   6.7040 -1.669724 9.627631 
1 1 1   -4   11   49 o  125.091   5.1307  105.988   8.6795  113.281   12.780   99.743   11.825  129.067   7.3066  121.115   7.2049 7.951996 10.26141 
1 1 1   -4   11   50 o   81.303   7.9235   44.329   8.3918   42.222   10.401   48.258   14.204   78.675   9.7559   83.932   12.488 -5.257072 15.84702 
1 1 1   -4   11   51 o  185.525   4.7663  233.854   11.969  236.823   17.399  231.186   16.492  186.630   6.8794  184.421   6.5988 2.208832 9.532616 
1 1 1   -4   11   52 o  187.750   4.8265  239.000   12.258  251.170   18.005  228.485   16.736  192.184   6.9133  183.316   6.7370 8.867310 9.653000 
1 1 1   -4   11   53 o  209.402   4.8520  298.722   13.744  285.357   19.718  311.354   19.169  204.810   7.1044  213.993   6.6102 -9.183182 9.703993 
1 1 1   -4   11   54 o  117.287   5.7434   91.575   8.9534  121.316   13.745   69.653   11.801  133.492   7.5980  101.082   8.6148 32.40974 11.48670 
1 1 1   -4   11   55 f  312.441   5.2325  664.634   22.149  659.136   31.611  669.935   31.042  311.153   7.4969  313.730   7.3016 -2.577057 10.46504 
1 1 1   -4   11   56 o  452.112   6.2214  1393.19   38.096  1433.83   55.008  1355.73   52.810  458.423   8.8547  445.802   8.7416 12.62173 12.44275 
1 1 1   -4   11   57 o  283.590   5.0916  547.007   19.551  560.412   28.346  534.843   27.002  286.884   7.2913  280.297   7.1088 6.587189 10.18324 
1 1 1   -4   11   58 o  119.261   5.5314   97.267   8.8858   93.753   13.174  100.199   12.036  117.234   8.2924  121.287   7.3228 -4.053101 11.06289 
1 1 1   -4   11   59 o  195.372   4.9740  260.724   13.117  235.206   18.605  285.948   18.498  185.786   7.3896  204.957   6.6599 -19.17114 9.947920 
1 1 1   -4   11   60 o  136.763   7.1725  127.240   13.192  135.648   20.169  120.952   17.440  140.614   10.584  132.913   9.6826 7.700989 14.34506 
1 1 1   -4   11   61 o  132.037   5.3815  119.249   9.5762  115.846   14.193  122.092   12.975  130.250   8.0410  133.823   7.1545 -3.573196 10.76309 
1 1 1   -4   11   62 o   74.000   7.3465   38.108   7.2428   34.473   10.975   40.912   9.6399   70.723   11.452   77.277   9.2054 -6.553658 14.69299 
1 1 1   -4   11   63 o  193.752   4.9191  256.112   12.901  256.398   18.699  255.852   17.821  193.823   7.1193  193.680   6.7901 0.1434326 9.838131 
1 1 1   -4   11   64 o  260.177   4.9894  462.152   17.582  465.320   25.322  459.204   24.431  261.008   7.1592  259.346   6.9514 1.661530 9.978786 
1 1 1   -4   11   65 o   55.396   10.312   19.785   7.9253   11.917   9.8842   33.950   13.263   42.502   14.404   68.290   14.762 -25.78821 20.62497 
1 1 1   -4   11   66 o  190.406   7.0381  250.398   18.149  241.309   25.724  259.407   25.610  186.891   10.157  193.921   9.7454 -7.029739 14.07612 
1 1 1   -4   11   67 o  127.972   6.6479  113.513   10.639  111.697   19.063  114.334   12.821  126.768   11.097  129.176   7.3242 -2.408310 13.29577 
1 1 1   -4   11   68 o   78.746   6.7695   42.621   7.1858   49.261   10.604   36.981   9.7719   84.432   9.2675   73.060   9.8700 11.37165 13.53897 
1 1 1   -4   11   69 o   99.465   5.8602   68.996   7.7918   57.402   11.191   79.904   10.855   91.091   9.0658  107.838   7.4283 -16.74648 11.72041 
1 1 1   -4   11   70 o   75.171   6.8566   38.922   6.9287   46.538   10.318   32.666   9.3508   81.883   9.2982   68.460   10.079 13.42355 13.71315 
1 1 1   -4   11   71 o   71.511   7.5200   37.030   6.9148   28.418   9.9319   45.132   9.6331   62.380   12.186   80.643   8.8150 -18.26243 15.04006 
1 1 1   -4   11   72 o   45.944   9.2671   15.623   6.1473   12.242   8.9222   18.679   8.4818   41.668   13.676   50.221   12.510 -8.553211 18.53425 
1 1 1   -4   11   73 o   84.270   8.1143   49.140   8.7069   54.646   15.489   46.597   10.528   87.003   13.137   81.536   9.5279 5.466789 16.22861 
1 1 1   -4   11   74 o   75.914   12.368   41.538   12.723   0.0000   0.0000   41.538   12.723  ?   ?    75.914   12.368      ?      ? 
1 1 1   -4   11   75 f  121.293   6.7345  104.166   10.318  102.763   18.113  104.839   12.553  119.785   11.158  122.801   7.5434 -3.015709 13.46901 
1 1 1   -4   11   76 o   86.676   7.5647   50.828   8.5077   64.629   14.857   44.095   10.378   94.527   11.598   78.826   9.7151 15.70048 15.12941 
1 1 1   -4   11   77 o  104.545   7.8963   78.740   11.089   93.576   16.229   65.749   15.187  114.133   10.493   94.957   11.802 19.17581 15.79255 
1 1 1   -4   11   78 o   81.037   9.9904   49.197   10.648   43.215   13.866   57.793   16.622   74.655   14.225   87.419   14.031 -12.76374 19.98081 
1 1 1   -4   11   79 o   38.023   10.937   6.3495   8.8119   2.4422   11.503   11.900   13.710   33.420   14.293   42.625   16.559 -9.205269 21.87444 
1 1 1   -4   11   80 o   80.003   10.453   50.326   10.848   47.881   14.436   53.498   16.440   78.214   14.141   81.791   15.398 -3.577339 20.90596 
1 1 1   -4   11   81 o   38.413   11.145   7.4978   9.0944   6.7352   11.634   8.6957   14.582   36.541   14.898   40.286   16.580 -3.744949 22.29028 
1 1 1   -4   11   82 o   51.777   18.374   22.744   16.170   0.0000   0.0000   22.744   16.170  ?   ?    51.777   18.374      ?      ? 
1 1 1   -4   11   83 o   66.577   18.523   39.535   17.322   0.0000   0.0000   39.535   17.322  ?   ?    66.577   18.523      ?      ? 
1 1 1   -4   11   84 o   55.704   11.807   24.217   9.5299   16.363   11.824   38.778   16.100   45.026   15.735   66.382   17.608 -21.35611 23.61456 
1 1 1   -4   11   85 o   64.143   11.767   34.195   10.329   25.382   13.288   47.649   16.419   53.947   16.576   74.338   16.705 -20.39101 23.53340 
1 1 1   -4   11   86 o   92.812   9.3763   66.163   11.631   55.464   15.086   81.841   18.262   83.787   13.287  101.837   13.233 -18.05035 18.75253 
1 1 1   -4   11   87 o   50.767   12.056   23.236   9.6062   22.574   12.092   24.370   15.817   50.549   15.858   50.985   18.164 -0.4365311 24.11290 
1 1 1   -4   11   88 o   45.436   11.454   18.479   9.2184   22.726   12.054   12.494   14.308   50.208   15.845   40.665   16.544 9.542305 22.90774 
1 1 1   -4   11   89 o   74.907   10.871   48.550   10.851   37.397   14.491   62.788   16.372   63.197   16.677   86.616   13.948 -23.41954 21.74115 
1 1 1   -4   11   90 o   26.244   8.8495  -9.0376   8.6286 -10.5337   11.477  -7.0927   13.086   24.659   11.839   27.829   13.156 -3.170504 17.69908 
1 1 1   -4   11   91 o   44.962   16.808   20.430   13.786   20.430   13.786   0.0000   0.0000   44.962   16.808  ?   ?       ?      ? 
1 1 1   -4   11   92 o   40.178   16.313   15.702   13.879   15.702   13.879   0.0000   0.0000   40.178   16.313  ?   ?       ?      ? 
1 1 1   -4   12    1 o  300.370   6.2376  617.770   23.608  627.766   28.668  596.707   41.615  304.257   6.9529  296.483   10.358 7.773682 12.47515 
1 1 1   -4   12    2 o  243.085   5.8316  385.356   17.583  364.255   20.744  439.214   33.140  231.773   6.6045  254.398   9.6130 -22.62561 11.66319 
1 1 1   -4   12    3 o  308.459   5.0743  645.763   21.194  665.301   29.713  625.526   30.240  313.219   7.0002  303.699   7.3477 9.520264 10.14852 
1 1 1   -4   12    4 o  381.034   5.5495  984.009   28.639  962.190   39.709  1007.66   41.344  376.639   7.7801  385.429   7.9156 -8.789520 11.09891 
1 1 1   -4   12    5 o  1072.64   12.163  7835.11  176.778  7756.71  247.977  7916.12  252.076  1067.20   17.147  1078.08   17.254 -10.87622 24.32531 
1 1 1   -4   12    6 o  402.657   5.7150  1099.61   31.177  1090.96   43.538  1108.72   44.664  401.036   8.0113  404.278   8.1526 -3.242218 11.43008 
1 1 1   -4   12    7 o  259.822   4.7816  456.692   16.814  436.024   23.080  480.070   24.546  253.574   6.7165  266.071   6.8078 -12.49687 9.563291 
1 1 1   -4   12    8 o  282.919   4.8916  542.233   18.740  528.221   25.909  557.608   27.140  279.092   6.8505  286.746   6.9843 -7.653625 9.783124 
1 1 1   -4   12    9 o  457.979   6.1492  1423.22   38.161  1439.32   53.891  1407.03   54.045  460.581   8.6342  455.377   8.7579 5.204346 12.29841 
1 1 1   -4   12   10 o  369.147   5.4498  923.211   27.241  896.733   37.630  952.366   39.487  363.597   7.6371  374.698   7.7765 -11.10141 10.89955 
1 1 1   -4   12   11 f  441.285   6.0138  1321.25   35.957  1350.83   50.992  1292.00   50.712  446.202   8.4330  436.367   8.5759 9.835632 12.02754 
1 1 1   -4   12   12 f  175.637   5.3384  215.898   11.069  223.327   12.938  195.620   21.375  181.501   5.2604  169.773   9.2910 11.72786 10.67684 
1 1 1   -4   12   13 o  413.370   6.6812  1181.20   32.766  1205.06   38.254  1115.43   63.495  421.537   6.6966  405.202   11.563 16.33548 13.36244 
1 1 1   -4   12   14 f  394.193   6.4617  1056.38   29.993  1058.17   34.709  1051.12   59.592  395.017   6.4840  393.368   11.179 1.649872 12.92343 
1 1 1   -4   12   15 o  310.544   5.7637  650.459   21.056  646.563   24.309  662.164   42.137  308.799   5.8090  312.289   9.9568 -3.490112 11.52747 
1 1 1   -4   12   16 o   43.413   8.9234   9.8531   5.3462   5.4258   6.2607   21.773   10.273   31.340   11.394   55.485   13.736 -24.14548 17.84681 
1 1 1   -4   12   17 o  240.243   5.3712  396.114   15.269  401.022   17.764  382.226   29.879  243.202   5.3899  237.283   9.2923 5.919067 10.74233 
1 1 1   -4   12   18 o  244.044   5.2988  400.033   15.352  395.784   17.788  412.434   30.392  241.605   5.4330  246.484   9.0989 -4.878647 10.59754 
1 1 1   -4   12   19 f  119.229   6.1937   98.061   9.6937  103.515   12.466   89.719   15.418  123.520   7.4474  114.937   9.8987 8.583458 12.38743 
1 1 1   -4   12   20 o  318.489   6.2052  676.610   25.353  652.777   30.932  725.397   44.256  310.182   7.3588  326.796   9.9933 -16.61462 12.41039 
1 1 1   -4   12   21 o  273.914   5.9170  505.780   20.923  497.968   25.815  520.734   35.717  270.925   7.0315  276.903   9.5184 -5.977875 11.83395 
1 1 1   -4   12   22 o  298.076   5.7632  615.977   20.389  630.532   23.831  576.222   39.386  304.919   5.7674  291.233   9.9797 13.68536 11.52638 
1 1 1   -4   12   23 o  284.017   5.5564  538.242   18.680  528.783   21.576  566.559   37.331  279.233   5.7018  288.801   9.5386 -9.567841 11.11289 
1 1 1   -4   12   24 f  317.277   5.8328  684.714   21.929  686.099   25.463  680.738   43.144  318.052   5.9080  316.503   10.059 1.548492 11.66569 
1 1 1   -4   12   25 o  100.872   6.0131   69.313   7.4378   69.611   8.8203   68.578   13.838  101.296   6.4255  100.447   10.166 0.8490219 12.02617 
1 1 1   -4   12   26 o  286.839   5.5986  555.203   19.034  551.650   22.058  565.559   37.660  285.189   5.7076  288.489   9.6333 -3.299713 11.19714 
1 1 1   -4   12   27 o  226.676   5.5748  367.215   14.942  389.270   17.615  310.618   28.217  239.574   5.4256  213.777   9.7403 25.79625 11.14951 
1 1 1   -4   12   28 o  424.309   6.8175  1221.82   39.201  1221.82   39.201   0.0000   0.0000  424.309   6.8175  ?   ?       ?      ? 
1 1 1   -4   12   29 o  233.179   6.5900  368.981   20.824  368.981   20.824   0.0000   0.0000  233.179   6.5900  ?   ?       ?      ? 
1 1 1   -4   12   30 o  464.912   7.5761  1450.24   44.809  1412.69   54.330  1530.10   79.242  455.956   8.7929  473.867   12.340 -17.91104 15.15229 
1 1 1   -4   12   31 f  343.694   10.722  803.946   49.939  803.946   49.939   0.0000   0.0000  343.694   10.722  ?   ?       ?      ? 
1 1 1   -4   12   32 o  124.331   7.1034  104.953   11.968  104.953   11.968   0.0000   0.0000  124.331   7.1034  ?   ?       ?      ? 
1 1 1   -4   12   33 o  202.819   4.6004  279.078   12.638  291.578   18.075  267.122   17.677  207.264   6.4354  198.374   6.5756 8.890030 9.200703 
1 1 1   -4   12   34 o  237.911   4.6825  384.161   15.094  389.518   21.567  379.017   21.133  239.535   6.6440  236.288   6.6001 3.247665 9.365011 
1 1 1   -4   12   35 o  202.919   6.4493  279.522   17.734   0.0000   0.0000  279.522   17.734  ?   ?   202.919   6.4493      ?      ? 
1 1 1   -4   12   36 o  137.335   4.7535  128.163   8.8384  125.414   12.692  130.751   12.315  135.897   6.8919  138.773   6.5486 -2.876007 9.506987 
1 1 1   -4   12   37 o  110.341   5.1342   82.664   7.6744   84.422   11.028   81.012   10.686  111.477   7.3003  109.205   7.2212 2.271461 10.26837 
1 1 1   -4   12   38 o   80.059   6.2732   45.037   6.4987   30.005   9.2464   59.712   9.1358   66.366   10.281   93.752   7.1909 -27.38589 12.54638 
1 1 1   -4   12   39 o   65.124   6.9380   28.667   6.0996   31.647   9.1103   26.246   8.2118   68.166   9.8624   62.081   9.7611 6.084946 13.87605 
1 1 1   -4   12   40 o  187.759   5.8464  239.519   13.756  240.437   24.730  239.108   16.553  187.885   9.7129  187.634   6.5099 0.2511444 11.69274 
1 1 1   -4   12   41 o  199.898   5.9840  270.895   14.786  274.255   27.288  269.498   17.592  200.606   10.038  199.191   6.5172 1.414276 11.96799 
1 1 1   -4   12   42 o  185.699   5.6847  236.849   13.477  227.620   23.128  241.593   16.582  182.809   9.3361  188.590   6.4885 -5.781418 11.36946 
1 1 1   -4   12   43 o  178.923   5.6945  218.124   12.994  216.792   22.542  218.787   15.902  178.391   9.3249  179.456   6.5388 -1.065002 11.38906 
1 1 1   -4   12   44 o  181.274   4.7675  223.926   11.640  194.101   16.355  254.545   16.571  168.975   7.1423  193.574   6.3170 -24.59882 9.535046 
1 1 1   -4   12   45 o  230.848   4.7449  361.998   14.839  368.674   21.324  355.731   20.662  232.906   6.7563  228.790   6.6641 4.115463 9.489890 
1 1 1   -4   12   46 o   97.643   5.7303   65.350   7.5256   59.848   11.028   70.145   10.295   93.737   8.6816  101.549   7.4815 -7.812080 11.46051 
1 1 1   -4   12   47 o  163.657   5.8901  179.664   12.446  173.726   15.302  191.273   21.395  159.835   7.0646  167.479   9.4268 -7.643188 11.78020 
1 1 1   -4   12   48 o  274.134   4.9850  509.999   18.499  536.383   26.922  486.399   25.461  280.833   7.0741  267.435   7.0255 13.39810 9.970037 
1 1 1   -4   12   49 o  240.924   4.8711  394.588   15.892  398.418   22.971  391.072   22.008  242.030   7.0037  239.818   6.7720 2.212189 9.742248 
1 1 1   -4   12   50 o   76.717   7.1428   40.886   7.2695   36.171   11.085   44.444   9.6291   72.696   11.253   80.739   8.8008 -8.043015 14.28552 
1 1 1   -4   12   51 o  142.565   5.1711  137.767   9.9534  144.556   14.854  132.234   13.409  145.721   7.5221  139.408   7.0979 6.313446 10.34225 
1 1 1   -4   12   52 o  212.576   4.8638  306.558   13.990  323.942   20.480  291.350   19.156  218.204   6.9261  206.948   6.8305 11.25604 9.727654 
1 1 1   -4   12   53 o  194.217   4.8576  257.042   12.764  247.468   18.351  266.016   17.766  190.680   7.1019  197.754   6.6294 -7.073669 9.715210 
1 1 1   -4   12   54 f  179.620   4.9112  219.171   11.930  225.922   17.536  213.353   16.278  182.171   7.1035  177.068   6.7838 5.103149 9.822391 
1 1 1   -4   12   55 o   84.087   6.6735   48.287   7.5508   48.678   11.393   47.981   10.083   84.348   9.9674   83.826   8.8766 0.5221176 13.34705 
1 1 1   -4   12   56 o   65.253   8.1966   28.977   7.0140   36.618   10.880   23.543   9.1751   73.055   10.990   57.451   12.164 15.60358 16.39313 
1 1 1   -4   12   57 o  174.421   7.0063  209.542   16.461  193.932   24.028  223.347   22.596  168.141   10.546  180.702   9.2276 -12.56078 14.01269 
1 1 1   -4   12   58 o  296.699   7.3503  604.651   29.523  591.124   42.413  617.368   41.122  293.376   10.668  300.022   10.114 -6.645691 14.70069 
1 1 1   -4   12   59 o  333.921   5.4422  760.206   24.604  786.946   35.729  736.090   33.932  339.474   7.7667  328.367   7.6255 11.10645 10.88440 
1 1 1   -4   12   60 o  176.467   5.0551  212.319   12.062  215.476   17.710  209.587   16.474  177.653   7.3563  175.282   6.9355 2.370697 10.11018 
1 1 1   -4   12   61 o  167.446   5.0832  192.387   11.479  176.389   16.556  207.197   15.930  160.632   7.6059  174.260   6.7460 -13.62799 10.16647 
1 1 1   -4   12   62 o  123.516   5.4615  104.990   9.0887   96.295   13.195  112.840   12.537  118.542   8.2138  128.489   7.2003 -9.947113 10.92297 
1 1 1   -4   12   63 f  120.829   6.6535   99.527   10.443   97.062   12.962  104.089   17.629  118.980   8.0391  122.678   10.604 -3.698380 13.30695 
1 1 1   -4   12   64 o  176.859   6.2405  214.826   13.675  216.390   25.061  214.162   16.319  176.760   10.462  176.957   6.8053 -0.1976471 12.48099 
1 1 1   -4   12   65 o  136.266   11.192  129.315   20.667  129.315   20.667   0.0000   0.0000  136.266   11.192  ?   ?       ?      ? 
1 1 1   -4   12   66 o  158.153   5.0715  171.904   10.845  165.977   15.693  177.322   15.005  155.462   7.4491  160.844   6.8841 -5.382065 10.14298 
1 1 1   -4   12   67 o  110.091   5.6151   83.770   8.3358   80.506   12.267   86.570   11.362  107.987   8.3828  112.195   7.4730 -4.207268 11.23023 
1 1 1   -4   12   68 o   89.013   6.1957   54.922   7.4457   54.715   10.999   55.096   10.116   88.770   9.1429   89.255   8.3638 -0.4845810 12.39138 
1 1 1   -4   12   69 o   80.435   7.9754   43.781   8.1263   29.574   10.378   66.296   13.065   63.498   12.506   97.373   9.9011 -33.87480 15.95079 
1 1 1   -4   12   70 o  139.184   7.1984  137.148   13.457  125.283   19.787  147.357   18.356  133.141   10.967  145.227   9.3269 -12.08594 14.39676 
1 1 1   -4   12   71 o   88.614   7.6095   54.344   8.5203   59.263   15.318   52.140   10.253   90.797   12.450   86.431   8.7535 4.366554 15.21906 
1 1 1   -4   12   72 o   90.112   7.6557   58.459   8.5758   55.952   15.339   59.599   10.343   87.784   12.894   92.440   8.2570 -4.655655 15.31149 
1 1 1   -4   12   73 o   89.976   7.7302   59.393   8.6618   53.805   15.183   62.090   10.547   85.728   13.069   94.224   8.2597 -8.495491 15.46031 
1 1 1   -4   12   74 o   51.722   10.339   21.173   7.4707   17.864   12.761   22.899   9.2151   48.490   16.367   54.954   12.638 -6.464329 20.67808 
1 1 1   -4   12   75 o   45.119   10.505   15.200   7.2335   15.892   12.180   14.824   8.9906   46.061   15.978   44.177   13.644 1.884762 21.01083 
1 1 1   -4   12   76 o  117.031   11.033   99.568   17.498   99.568   17.498   0.0000   0.0000  117.031   11.033  ?   ?       ?      ? 
1 1 1   -4   12   77 o   25.772   8.6830 -11.9678   8.2200 -11.7620   10.715 -12.2622   12.814   24.400   11.641   27.144   12.887 -2.743980 17.36592 
1 1 1   -4   12   78 o   46.311   11.700   16.546   9.2439   16.270   12.360   16.896   13.925   45.824   16.084   46.798   16.997 -0.9746552 23.40027 
1 1 1   -4   12   79 o   55.241   11.940   24.954   9.8167   19.375   13.003   32.348   14.970   48.830   16.521   61.652   17.243 -12.82195 23.88047 
1 1 1   -4   12   80 o   82.862   10.286   52.305   11.117   42.343   14.241   67.851   17.789   72.309   15.024   93.415   14.053 -21.10674 20.57162 
1 1 1   -4   12   81 o   47.531   18.087   18.041   16.124   0.0000   0.0000   18.041   16.124  ?   ?    47.531   18.087      ?      ? 
1 1 1   -4   12   82 o   52.194   17.940   23.882   15.339   0.0000   0.0000   23.882   15.339  ?   ?    52.194   17.940      ?      ? 
1 1 1   -4   12   83 o   56.735   11.812   27.943   9.5801   26.536   12.457   29.980   14.988   55.660   15.787   57.810   17.573 -2.149666 23.62328 
1 1 1   -4   12   84 o   64.619   11.768   36.770   10.295   36.435   13.555   37.227   15.825   65.294   15.543   63.944   17.674 1.350361 23.53608 
1 1 1   -4   12   85 o   37.091   10.694   3.8755   8.9197  -5.9667   11.374   19.600   14.376   27.168   12.657   47.013   17.240 -19.84517 21.38714 
1 1 1   -4   12   86 o   51.721   10.922   19.632   9.7027   2.8107   12.572   44.413   15.259   33.036   14.527   70.406   16.313 -37.37001 21.84322 
1 1 1   -4   12   87 o   43.099   11.465   16.400   9.2506   19.740   12.646   12.556   13.567   46.244   16.267   39.954   16.162 6.290314 22.93054 
1 1 1   -4   12   88 o   29.963   9.5837  -4.2804   8.5849 -14.0880   11.291   9.1565   13.216   23.151   11.265   36.776   15.508 -13.62513 19.16744 
1 1 1   -4   12   89 o   33.231   10.336   4.8419   8.9756   3.0776   12.176   6.9414   13.283   31.686   14.097   34.776   15.119 -3.089670 20.67105 
1 1 1   -4   12   90 o   57.413   17.216   34.851   14.456   34.851   14.456   0.0000   0.0000   57.413   17.216  ?   ?       ?      ? 
1 1 1   -4   13    1 o  458.943   6.1854  1429.36   38.454  1409.81   53.505  1450.25   55.304  455.706   8.6641  462.180   8.8301 -6.473785 12.37086 
1 1 1   -4   13    2 o  475.583   6.3308  1535.80   40.797  1554.82   57.602  1516.65   57.791  478.547   8.8823  472.620   9.0233 5.927124 12.66156 
1 1 1   -4   13    3 o  455.383   6.1793  1407.94   38.130  1417.90   53.759  1397.85   54.092  457.010   8.6805  453.757   8.7968 3.253601 12.35857 
1 1 1   -4   13    4 o  329.629   6.3046  741.794   26.998  723.219   44.836  752.361   33.817  326.275   10.141  332.983   7.4942 -6.708557 12.60926 
1 1 1   -4   13    5 o  313.772   6.1870  673.994   25.259  648.004   41.644  689.121   31.771  308.856   9.9498  318.689   7.3566 -9.833099 12.37406 
1 1 1   -4   13    6 o  513.807   8.1217  1809.90   53.965  1743.85   90.233  1846.68   67.334  506.173   13.155  521.441   9.5290 -15.26837 16.24347 
1 1 1   -4   13    7 o   95.823   6.5211   62.580   8.3274   61.070   12.931   63.650   10.885   94.811   10.064   96.834   8.2952 -2.023926 13.04219 
1 1 1   -4   13    8 o  233.280   5.6227  367.273   17.155  377.229   28.415  361.562   21.519  235.705   8.8962  230.856   6.8787 4.848541 11.24538 
1 1 1   -4   13    9 o  484.652   7.7744  1587.46   48.439  1625.93   83.304  1567.81   59.539  488.820   12.576  480.485   9.1441 8.334381 15.54875 
1 1 1   -4   13   10 o  462.111   7.5318  1443.30   44.804  1477.35   76.831  1425.74   55.154  466.000   12.166  458.222   8.8821 7.778931 15.06369 
1 1 1   -4   13   11 o  341.549   6.4023  798.375   28.404  770.246   47.051  814.504   35.629  336.664   10.313  346.435   7.5892 -9.771912 12.80462 
1 1 1   -4   13   12 o  187.684   6.3402  238.531   16.098  227.884   21.986  250.834   23.634  183.188   8.8566  192.181   9.0749 -8.992447 12.68044 
1 1 1   -4   13   13 o  504.517   8.0369  1735.48   51.790  1744.31   63.505  1717.94   89.488  506.756   9.2476  502.278   13.147 4.477661 16.07389 
1 1 1   -4   13   14 o  232.217   6.6844  366.518   21.017  348.643   29.687  384.478   29.758  226.524   9.6710  237.910   9.2302 -11.38614 13.36884 
1 1 1   -4   13   15 o  143.238   6.8306  139.367   13.244  140.296   19.217  138.527   18.278  143.683   9.8695  142.792   9.4458 0.8908691 13.66122 
1 1 1   -4   13   16 o  583.091   10.342  2313.77   81.619  2428.74  119.037  2211.78  112.125  596.704   14.721  569.478   14.529 27.22626 20.68359 
1 1 1   -4   13   17 o  265.053   5.8732  478.405   19.841  481.059   24.279  473.070   34.425  266.263   6.7287  263.844   9.6282 2.418945 11.74641 
1 1 1   -4   13   18 o  148.030   5.5779  144.983   10.541  138.006   12.762  159.960   18.697  142.614   6.6035  153.446   8.9915 -10.83197 11.15585 
1 1 1   -4   13   19 o   95.263   6.5711   61.974   7.8884   62.510   9.5614   60.832   13.959   95.963   7.3525   94.564   10.893 1.399277 13.14227 
1 1 1   -4   13   20 f  242.719   5.6934  395.722   17.590  387.671   21.364  412.666   30.995  239.017   6.5959  246.421   9.2819 -7.403702 11.38681 
1 1 1   -4   13   21 f  141.994   5.7671  137.718   10.398  139.210   12.696  134.679   18.121  143.228   6.5413  140.760   9.4998 2.468521 11.53411 
1 1 1   -4   13   22 o  297.858   6.0432  593.268   22.874  576.264   27.686  629.837   40.602  291.369   7.0119  304.346   9.8445 -12.97705 12.08642 
1 1 1   -4   13   23 o  161.648   5.6612  177.262   12.401  177.262   12.401   0.0000   0.0000  161.648   5.6612  ?   ?       ?      ? 
1 1 1   -4   13   24 o  463.242   7.2150  1456.96   45.293  1456.96   45.293   0.0000   0.0000  463.242   7.2150  ?   ?       ?      ? 
1 1 1   -4   13   25 o  225.852   5.4491  345.688   14.544  344.900   16.847  347.994   28.819  225.479   5.5137  226.225   9.4006 -0.7467346 10.89829 
1 1 1   -4   13   26 o  190.030   5.4180  254.808   12.238  266.219   14.402  225.158   23.215  198.100   5.3648  181.959   9.4149 16.14142 10.83609 
1 1 1   -4   13   27 o  225.392   5.3004  338.781   14.201  332.230   16.433  358.103   28.221  221.292   5.4798  229.491   9.0746 -8.199615 10.60076 
1 1 1   -4   13   28 o  156.647   5.3265  166.751   10.085  166.840   11.839  166.516   19.255  156.811   5.5714  156.482   9.0800 0.3293457 10.65304 
1 1 1   -4   13   29 f  389.779   6.4595  1022.81   29.644  1012.26   34.208  1054.64   59.406  386.142   6.5373  393.416   11.143 -7.273987 12.91894 
1 1 1   -4   13   30 o  123.863   5.7249  105.753   8.6682  107.787   10.299  100.811   16.052  126.019   6.0307  121.706   9.7328 4.312805 11.44978 
1 1 1   -4   13   31 o  234.919   5.4731  385.567   15.405  398.529   18.151  352.185   29.128  242.344   5.5268  227.494   9.4484 14.85002 10.94616 
1 1 1   -4   13   32 o  135.410   5.5921  127.594   9.2337  131.707   10.992  117.737   17.018  139.302   5.8231  131.518   9.5487 7.783676 11.18418 
1 1 1   -4   13   33 o  250.919   5.4637  426.524   16.391  424.957   19.101  430.902   31.927  250.229   5.6328  251.609   9.3637 -1.379440 10.92735 
1 1 1   -4   13   34 o   94.249   6.1875   55.338   7.3584   47.577   8.7001   74.845   13.792   83.663   7.6738  104.835   9.7084 -21.17229 12.37492 
1 1 1   -4   13   35 o  290.295   6.0541  559.920   22.461  534.776   27.246  613.261   39.683  280.537   7.1668  300.053   9.7595 -19.51645 12.10825 
1 1 1   -4   13   36 o  568.518   10.210  2203.13   78.659   0.0000   0.0000  2203.13   78.659  ?   ?   568.518   10.210      ?      ? 
1 1 1   -4   13   37 o  187.474   9.6015  239.450   24.393   0.0000   0.0000  239.450   24.393  ?   ?   187.474   9.6015      ?      ? 
1 1 1   -4   13   38 o  119.155   7.2606  110.026   10.137   65.875   17.191  133.565   12.552   98.098   12.931  140.212   6.6060 -42.11493 14.52113 
1 1 1   -4   13   39 o  150.952   5.7288  151.120   11.029  166.536   19.593  143.970   13.343  156.350   9.2474  145.555   6.7648 10.79480 11.45762 
1 1 1   -4   13   40 o  204.760   6.4961  284.874   18.025   0.0000   0.0000  284.874   18.025  ?   ?   204.760   6.4961      ?      ? 
1 1 1   -4   13   41 o  174.144   4.7306  205.669   11.150  215.117   16.264  197.289   15.316  177.905   6.7460  170.383   6.6335 7.522629 9.461114 
1 1 1   -4   13   42 o  207.770   4.7240  293.423   13.293  293.189   19.130  293.641   18.484  207.679   6.7975  207.861   6.5621 -0.1827698 9.448092 
1 1 1   -4   13   43 o  201.148   5.8937  280.642   15.217  292.585   18.952  258.967   25.531  207.458   6.7411  194.837   9.6695 12.62173 11.78740 
1 1 1   -4   13   44 o  200.867   5.9431  281.688   15.282  297.736   19.060  252.808   25.569  209.268   6.7212  192.467   9.8035 16.80124 11.88624 
1 1 1   -4   13   45 o   78.551   6.8067   43.454   7.0140   33.753   10.465   51.366   9.4509   70.251   10.993   86.851   8.0300 -16.60050 13.61335 
1 1 1   -4   13   46 o  130.795   5.3392  118.094   9.3216   97.928   13.487  136.540   12.899  119.890   8.3011  141.700   6.7172 -21.81022 10.67849 
1 1 1   -4   13   47 o  113.411   5.7112   86.162   8.6959  104.177   13.238   72.491   11.533  123.678   7.8989  103.144   8.2511 20.53326 11.42249 
1 1 1   -4   13   48 f  332.487   5.3352  752.492   24.032  760.302   34.442  745.081   33.549  334.155   7.6061  330.819   7.4836 3.335724 10.67037 
1 1 1   -4   13   49 o  191.722   6.7510  250.059   17.540   0.0000   0.0000  250.059   17.540  ?   ?   191.722   6.7510      ?      ? 
1 1 1   -4   13   50 o  240.762   4.9445  394.917   16.114  376.160   22.895  413.332   22.685  235.061   7.1874  246.464   6.7921 -11.40289 9.888943 
1 1 1   -4   13   51 o  132.565   5.2737  119.774   9.4398  118.943   13.927  120.481   12.840  132.109   7.7791  133.022   7.1226 -0.9136200 10.54734 
1 1 1   -4   13   52 o  120.006   5.5089   98.670   8.8974   93.234   13.157  103.251   12.078  116.895   8.3059  123.117   7.2391 -6.221977 11.01780 
1 1 1   -4   13   53 o  126.495   5.4078  108.813   9.2205  111.777   13.850  106.453   12.357  128.003   7.9846  124.987   7.2955 3.015488 10.81563 
1 1 1   -4   13   54 f   92.369   7.6520   52.003   8.7963   76.324   17.085   43.230   10.261  105.274   11.976   79.465   9.5285 25.80917 15.30406 
1 1 1   -4   13   55 o  213.786   6.9367  314.208   20.030  299.248   29.073  327.726   27.636  208.808   10.275  218.765   9.3221 -9.957245 13.87334 
1 1 1   -4   13   56 o   76.822   8.9908   43.323   8.7373   51.397   11.567   32.595   13.333   86.540   9.8635   67.104   15.035 19.43599 17.98156 
1 1 1   -4   13   57 o  179.904   4.9832  221.453   12.110  211.417   17.584  230.507   16.703  175.956   7.3746  183.852   6.7041 -7.896011 9.966412 
1 1 1   -4   13   58 o   75.501   7.3929   39.982   7.4010   35.026   11.250   43.763   9.8269   71.146   11.669   79.855   9.0809 -8.708549 14.78578 
1 1 1   -4   13   59 o   60.998   8.7664   26.406   6.9676   30.423   10.542   23.290   9.2848   65.154   12.393   56.841   12.402 8.312836 17.53272 
1 1 1   -4   13   60 o   91.548   8.1694   60.311   9.6342   66.812   12.323   50.091   15.451   98.526   9.2297   84.569   13.482 13.95741 16.33875 
1 1 1   -4   13   61 o  235.276   5.0268  377.224   15.989  404.129   23.626  354.491   21.717  242.959   7.1759  227.593   7.0415 15.36617 10.05361 
1 1 1   -4   13   62 o  123.818   7.5375  117.838   10.830   82.333   19.663  133.300   12.976  108.100   13.423  139.537   6.8622 -31.43654 15.07492 
1 1 1   -4   13   63 o   79.191   8.9363   45.342   8.2577   43.487   15.622   46.061   9.7278   76.693   15.563   81.690   8.7875 -4.997406 17.87251 
1 1 1   -4   13   64 o  101.188   6.0274   71.412   8.1750   64.088   12.059   77.641   11.121   96.169   9.2529  106.208   7.7267 -10.03918 12.05478 
1 1 1   -4   13   65 o   42.223   9.9790   10.632   7.1899   3.2869   9.7028   19.577   10.707   33.018   13.550   51.427   14.654 -18.40887 19.95809 
1 1 1   -4   13   66 o  135.517   6.6086  131.409   11.051  118.887   19.767  137.102   13.329  129.874   11.231  141.159   6.9678 -11.28470 13.21715 
1 1 1   -4   13   67 o   47.457   9.3974   16.923   6.3213   13.988   9.7399   19.059   8.3089   44.144   14.277   50.770   12.223 -6.625942 18.79471 
1 1 1   -4   13   68 o   96.797   7.4652   65.907   8.9429   66.864   16.391   65.501   10.671   96.484   12.536   97.109   8.1090 -0.6248703 14.93045 
1 1 1   -4   13   69 o  127.748   6.7267  118.110   10.630  105.824   18.846  123.843   12.873  121.701   11.427  133.795   7.1002 -12.09318 13.45336 
1 1 1   -4   13   70 o   43.032   10.497   12.570   6.9678   14.975   12.757   11.547   8.3181   45.943   16.319   40.121   13.207 5.821899 20.99331 
1 1 1   -4   13   71 o   50.864   9.1391   22.063   7.1700   4.3268   12.961   29.884   8.6068   36.840   15.436   64.887   9.7881 -28.04714 18.27815 
1 1 1   -4   13   72 o   70.534   9.0998   36.854   7.8899   38.237   14.064   36.219   9.5309   69.800   15.292   71.269   9.8685 -1.469193 18.19963 
1 1 1   -4   13   73 o   66.089   9.3559   31.672   7.7371   39.838   13.507   27.684   9.4391   71.547   14.429   60.631   11.913 10.91523 18.71180 
1 1 1   -4   13   74 o   54.575   16.079   24.151   12.696   24.151   12.696   0.0000   0.0000   54.575   16.079  ?   ?       ?      ? 
1 1 1   -4   13   75 o   57.685   16.390   27.444   13.414   27.444   13.414   0.0000   0.0000   57.685   16.390  ?   ?       ?      ? 
1 1 1   -4   13   76 o   64.256   10.679   31.081   10.135   13.712   13.312   55.037   15.633   43.634   16.475   84.879   13.592 -41.24528 21.35777 
1 1 1   -4   13   77 f   60.345   11.547   31.263   9.9507   37.630   13.279   23.108   15.027   68.381   14.763   52.309   17.760 16.07196 23.09462 
1 1 1   -4   13   78 o   51.192   11.773   22.302   9.6150   26.463   12.576   16.446   14.918   56.278   15.827   46.107   17.433 10.17159 23.54550 
1 1 1   -4   13   79 o   57.140   12.066   28.397   10.042   29.492   13.193   26.889   15.482   59.043   16.062   55.236   18.009 3.807304 24.13164 
1 1 1   -4   13   80 o   94.962   13.762   70.813   17.709   0.0000   0.0000   70.813   17.709  ?   ?    94.962   13.762      ?      ? 
1 1 1   -4   13   81 o   33.327   10.101  -1.2788   8.5785 -10.9832   11.144   12.835   13.439   24.869   11.866   41.785   16.349 -16.91552 20.20177 
1 1 1   -4   13   82 o   31.177   9.8535  -1.4053   8.2708  -5.3960   10.450   5.2872   13.532   26.391   12.240   35.963   15.445 -9.571413 19.70704 
1 1 1   -4   13   83 o   31.900   9.9419   1.2922   8.5435   5.6195   10.840  -5.8032   13.881   33.764   14.130   30.036   13.990 3.727795 19.88375 
1 1 1   -4   13   84 o   38.568   11.051   8.3684   9.2242   0.7816   12.063   19.052   14.315   31.288   13.967   45.848   17.130 -14.55997 22.10248 
1 1 1   -4   13   85 o   31.871   10.159   0.8248   9.1719   1.5022   11.924  -0.1566   14.353   31.270   13.928   32.472   14.794 -1.202047 20.31862 
1 1 1   -4   13   86 o   46.881   12.011   21.774   9.8870   23.401   13.181   19.681   14.950   48.871   16.634   44.890   17.332 3.980030 24.02253 
1 1 1   -4   13   87 o   29.970   9.7431  -0.9589   9.0579  -1.0809   12.429  -0.8206   13.228   29.562   13.580   30.379   13.975 -0.8166866 19.48611 
1 1 1   -4   13   88 o   35.348   10.781   8.8249   9.4589   10.986   12.878   6.2936   13.938   36.632   15.370   34.064   15.122 2.568176 21.56161 
1 1 1   -4   14    1 o  374.622   5.5508  953.018   28.168  952.029   39.271  954.065   40.425  374.434   7.7395  374.811   7.9590 -0.3765869 11.10162 
1 1 1   -4   14    2 o  132.092   5.0297  119.032   8.9532  125.908   12.270  111.203   13.093  136.208   6.6477  127.977   7.5497 8.230934 10.05933 
1 1 1   -4   14    3 o  367.222   5.4962  914.942   27.323  974.830   39.219  858.459   38.087  378.902   7.6381  355.541   7.9051 23.36118 10.99234 
1 1 1   -4   14    4 o  160.195   4.8267  174.715   10.441  182.714   14.398  165.841   15.165  164.088   6.4749  156.302   7.1598 7.786575 9.653311 
1 1 1   -4   14    5 o   71.044   7.1546   34.040   6.5897   25.677   8.7079   45.247   10.081   60.494   11.029   81.594   9.1169 -21.09987 14.30912 
1 1 1   -4   14    6 o  274.092   4.9689  509.554   18.439  501.241   25.441  518.751   26.761  271.747   6.9086  276.436   7.1437 -4.688812 9.937886 
1 1 1   -4   14    7 o  547.261   6.9896  2036.63   51.832  2067.71   73.446  2005.80   73.158  551.432   9.8287  543.091   9.9405 8.340210 13.97910 
1 1 1   -4   14    8 o  283.257   6.1379  526.563   22.081  598.092   39.796  494.748   26.540  296.560   9.9025  269.953   7.2550 26.60690 12.27575 
1 1 1   -4   14    9 o  116.583   6.8197   93.515   10.136   89.110   17.404   95.776   12.468  114.408   11.226  118.757   7.7474 -4.348900 13.63948 
1 1 1   -4   14   10 o  357.734   6.7861  881.189   31.226  834.190   52.555  906.834   38.822  350.059   11.079  365.409   7.8400 -15.34955 13.57218 
1 1 1   -4   14   11 o  446.188   6.1327  1353.03   37.076  1369.46   52.221  1336.33   52.648  448.934   8.5838  443.443   8.7611 5.490326 12.26537 
1 1 1   -4   14   12 o  281.706   5.0299  539.133   19.178  571.162   27.168  507.321   27.076  290.067   6.9117  273.346   7.3096 16.72113 10.05985 
1 1 1   -4   14   13 o  478.389   7.3227  1528.63   40.692  1502.44   46.573  1613.15   83.660  470.395   7.3061  486.383   12.693 -15.98770 14.64535 
1 1 1   -4   14   14 o  300.180   5.8252  610.773   20.514  609.340   23.674  615.091   41.101  299.679   5.8295  300.681   10.087 -1.001587 11.65044 
1 1 1   -4   14   15 o  246.475   5.5181  411.482   15.976  410.315   18.446  414.986   31.962  245.929   5.5348  247.020   9.5481 -1.090332 11.03629 
1 1 1   -4   14   16 o  170.053   5.4666  199.258   10.944  202.246   12.709  190.684   21.530  172.662   5.4315  167.443   9.4886 5.218506 10.93319 
1 1 1   -4   14   17 o  367.014   6.2994  905.355   27.054  895.316   31.116  936.451   54.764  363.198   6.3219  370.830   10.898 -7.631622 12.59876 
1 1 1   -4   14   18 o  281.710   5.7255  538.483   21.858  538.483   21.858   0.0000   0.0000  281.710   5.7255  ?   ?       ?      ? 
1 1 1   -4   14   19 o  104.155   6.1723   73.628   8.7118   73.628   8.7118   0.0000   0.0000  104.155   6.1723  ?   ?       ?      ? 
1 1 1   -4   14   20 o  198.824   5.4021  268.202   14.555  268.202   14.555   0.0000   0.0000  198.824   5.4021  ?   ?       ?      ? 
1 1 1   -4   14   21 o  226.370   5.4672  350.183   14.573  352.272   16.884  344.080   28.857  227.857   5.4680  224.883   9.4691 2.974213 10.93448 
1 1 1   -4   14   22 o  258.837   5.5393  449.911   16.891  444.540   19.489  466.128   33.864  255.950   5.6188  261.724   9.5480 -5.773834 11.07858 
1 1 1   -4   14   23 o  219.406   5.4389  325.878   14.124  324.590   16.367  329.634   27.952  218.711   5.5224  220.100   9.3717 -1.388382 10.87772 
1 1 1   -4   14   24 o  237.674   5.4483  380.106   15.347  376.166   17.768  391.677   30.450  235.440   5.5691  239.908   9.3660 -4.468811 10.89670 
1 1 1   -4   14   25 o  101.071   6.0654   65.721   7.4657   61.372   8.6793   78.092   14.638   95.062   6.7375  107.080   10.088 -12.01759 12.13079 
1 1 1   -4   14   26 o  104.274   5.9585   71.370   7.5554   68.325   8.8155   79.796   14.665  100.308   6.4853  108.239   9.9979 -7.930771 11.91707 
1 1 1   -4   14   27 o  125.789   5.6080  104.716   8.5221  101.441   9.9270  113.892   16.617  122.240   5.9927  129.338   9.4807 -7.098343 11.21592 
1 1 1   -4   14   28 o  123.829   6.0661  105.871   9.7280  109.942   12.222   98.832   16.070  127.205   7.0900  120.453   9.8450 6.752106 12.13225 
1 1 1   -4   14   29 o  192.184   5.6507  247.543   14.008  239.752   17.209  262.846   24.118  187.864   6.7597  196.503   9.0570 -8.638855 11.30147 
1 1 1   -4   14   30 o  121.536   6.1953   99.302   9.8084   96.224   12.196  104.937   16.504  118.972   7.5647  124.101   9.8135 -5.129105 12.39069 
1 1 1   -4   14   31 o  154.607   5.7399  161.512   11.536  158.822   14.351  166.426   19.394  152.882   6.9267  156.332   9.1546 -3.449936 11.47982 
1 1 1   -4   14   32 o   74.001   7.9555   37.077   7.7849   35.997   9.9091   38.820   12.583   72.662   10.063   75.341   12.324 -2.679176 15.91100 
1 1 1   -4   14   33 o  106.374   6.6219   75.337   9.4176   66.749   12.163   88.192   14.881   98.996   9.0667  113.752   9.6536 -14.75632 13.24380 
1 1 1   -4   14   34 o  126.956   6.4657  113.669   10.730  132.500   14.274   89.203   16.270  139.582   7.5461  114.330   10.501 25.25201 12.93131 
1 1 1   -4   14   35 o  266.646   5.5760  471.267   17.673  458.348   20.415  509.904   35.305  259.796   5.7987  273.496   9.5258 -13.70004 11.15193 
1 1 1   -4   14   36 o  179.188   5.6286  228.400   12.072  241.146   14.310  196.936   22.483  188.449   5.6035  169.927   9.7634 18.52174 11.25718 
1 1 1   -4   14   37 o  243.784   5.5669  407.610   16.253  411.286   19.020  397.662   31.291  246.090   5.7033  241.478   9.5621 4.612915 11.13384 
1 1 1   -4   14   38 o  139.178   5.7457  133.559   9.7890  135.887   11.637  127.925   18.104  141.426   6.0719  136.930   9.7563 4.496262 11.49150 
1 1 1   -4   14   39 o  174.518   5.8597  210.846   13.232  219.779   16.626  195.416   21.852  179.787   6.8240  169.250   9.5276 10.53729 11.71937 
1 1 1   -4   14   40 o  166.353   6.0107  191.053   12.894  197.128   16.090  180.150   21.556  170.249   6.9743  162.457   9.7914 7.791779 12.02135 
1 1 1   -4   14   41 o  230.460   6.0307  366.522   17.993  378.279   22.556  345.952   29.835  235.815   7.0583  225.106   9.7804 10.70926 12.06139 
1 1 1   -4   14   42 o   91.507   9.7281   57.340   11.487   77.645   17.469   41.871   15.247  106.412   12.114   76.602   15.225 29.81068 19.45610 
1 1 1   -4   14   43 o  117.287   6.8451   95.377   10.545  100.450   13.569   87.640   16.757  121.411   8.2472  113.163   10.927 8.248032 13.69014 
1 1 1   -4   14   44 o  120.480   5.3439   98.990   8.6918   96.956   12.787  100.736   11.850  119.299   7.9097  121.660   7.1877 -2.360321 10.68774 
1 1 1   -4   14   45 o  130.902   5.1939  116.274   9.1922  122.264   13.572  111.197   12.494  133.996   7.4743  127.809   7.2139 6.186760 10.38770 
1 1 1   -4   14   46 o  140.182   5.1136  133.785   9.6976  133.980   14.137  133.612   13.328  140.259   7.4377  140.105   7.0198 0.1533966 10.22724 
1 1 1   -4   14   47 o   83.827   6.4527   47.095   7.2606   56.249   11.171   40.400   9.5535   90.750   9.0838   76.904   9.1671 13.84601 12.90544 
1 1 1   -4   14   48 o  145.920   5.1119  145.773   10.048  136.617   14.746  153.709   13.728  141.571   7.6861  150.270   6.7415 -8.698685 10.22372 
1 1 1   -4   14   49 o  138.654   5.2290  132.257   9.7284  118.724   14.298  143.921   13.275  131.919   7.9983  145.388   6.7376 -13.46938 10.45794 
1 1 1   -4   14   50 o  135.958   5.2623  126.684   9.6290  119.416   14.226  132.827   13.080  132.283   7.9361  139.633   6.9127 -7.350006 10.52463 
1 1 1   -4   14   51 o  199.609   6.9320  272.216   18.701  285.008   27.686  261.481   25.361  203.856   10.022  195.363   9.5796 8.493637 13.86402 
1 1 1   -4   14   52 o  120.284   7.7529   98.351   12.522  108.403   19.352   91.110   16.425  125.434   11.385  115.133   10.527 10.30122 15.50583 
1 1 1   -4   14   53 o   66.752   9.1998   30.796   8.1132   23.863   10.748   39.979   12.370   57.453   13.945   76.050   12.003 -18.59686 18.39953 
1 1 1   -4   14   54 o   55.375   9.3166   22.615   6.8308   19.138   10.810   24.926   8.8133   51.629   14.728   59.120   11.414 -7.491756 18.63330 
1 1 1   -4   14   55 o  231.354   5.0070  365.571   15.681  367.232   22.733  364.064   21.658  231.813   7.2365  230.895   6.9218 0.9185181 10.01393 
1 1 1   -4   14   56 o  124.257   5.5801  105.365   9.3513  109.782   14.037  101.841   12.539  126.538   8.1858  121.977   7.5859 4.561455 11.16030 
1 1 1   -4   14   57 o  210.871   6.0945  302.670   16.679  295.611   20.683  315.793   28.202  207.796   7.3451  213.945   9.7273 -6.148315 12.18900 
1 1 1   -4   14   58 o   65.994   8.6491   29.851   7.4288   45.013   11.589   19.275   9.6790   80.561   10.615   51.427   13.658 29.13420 17.29829 
1 1 1   -4   14   59 o  159.025   6.9047  173.210   14.880   0.0000   0.0000  173.210   14.880  ?   ?   159.025   6.9047      ?      ? 
1 1 1   -4   14   60 o   96.539   7.5126   61.231   8.9823   74.212   17.139   56.316   10.547  102.739   12.310   90.338   8.6153 12.40106 15.02527 
1 1 1   -4   14   61 o  126.091   7.6738  112.252   12.917  103.531   19.548  119.011   17.209  121.309   11.891  130.872   9.7033 -9.562859 15.34758 
1 1 1   -4   14   62 o   38.213   9.6603   9.2174   6.2272   8.8753   10.051   9.4305   7.9333   38.768   14.380   37.659   12.904 1.108894 19.32060 
1 1 1   -4   14   63 o   72.290   7.2128   35.946   6.9974   41.594   10.853   31.928   9.1542   77.017   10.399   67.563   9.9983 9.454079 14.42555 
1 1 1   -4   14   64 o  103.135   5.7932   73.631   8.0390   74.962   12.157   72.597   10.716  103.828   8.6403  102.442   7.7195 1.385872 11.58645 
1 1 1   -4   14   65 o   87.551   6.5878   55.741   7.4869   40.992   11.148   67.860   10.105   76.096   10.811   99.006   7.5317 -22.91003 13.17563 
1 1 1   -4   14   66 o   37.129   9.9640   8.2159   6.6564   2.8391   12.965   10.140   7.7567   36.143   15.307   38.115   12.761 -1.971947 19.92810 
1 1 1   -4   14   67 o   30.926   9.2437   2.2489   6.3752  -2.7691   11.983   4.2299   7.5291   31.198   13.924   30.654   12.161 0.5443954 18.48735 
1 1 1   -4   14   68 o   85.733   7.8533   54.217   8.3358   48.939   14.732   56.703   10.110   81.495   13.339   89.971   8.2921 -8.476440 15.70670 
1 1 1   -4   14   69 o   95.102   7.7664   68.411   8.9682   56.885   15.933   73.757   10.850   87.519   13.434  102.685   7.7974 -15.16579 15.53288 
1 1 1   -4   14   70 o   50.548   10.372   20.221   7.2695   18.088   13.145   21.161   8.7252   48.430   16.610   52.666   12.426 -4.236240 20.74331 
1 1 1   -4   14   71 o   87.053   9.9639   57.790   11.120   40.429   15.089   78.430   16.453   70.779   16.095  103.327   11.750 -32.54808 19.92777 
1 1 1   -4   14   72 o  114.454   11.329   96.110   17.571   96.110   17.571   0.0000   0.0000  114.454   11.329  ?   ?       ?      ? 
1 1 1   -4   14   73 o   31.273   13.802  -0.3949   11.445  -0.3949   11.445   0.0000   0.0000   31.273   13.802  ?   ?       ?      ? 
1 1 1   -4   14   74 o   70.618   11.033   40.124   10.328   30.716   13.885   51.777   15.452   60.549   16.481   80.686   14.673 -20.13715 22.06579 
1 1 1   -4   14   75 o   49.954   11.728   20.829   9.5018   25.025   12.707   15.506   14.311   54.691   16.078   45.217   17.080 9.474731 23.45652 
1 1 1   -4   14   76 o   36.271   10.712   4.5438   8.8139  -0.4575   11.517   11.613   13.693   31.009   13.757   41.533   16.424 -10.52330 21.42447 
1 1 1   -4   14   77 o   36.060   10.657   5.7928   8.8188   8.9889   11.643   1.4914   13.507   37.960   15.103   34.160   15.038 3.799217 21.31307 
1 1 1   -4   14   78 o   62.645   17.122   34.580   14.950   0.0000   0.0000   34.580   14.950  ?   ?    62.645   17.122      ?      ? 
1 1 1   -4   14   79 o   43.451   16.703   14.886   13.839   0.0000   0.0000   14.886   13.839  ?   ?    43.451   16.703      ?      ? 
1 1 1   -4   14   80 o   52.743   10.813   20.423   9.5293   4.1573   12.391   43.972   14.909   34.158   14.726   71.327   15.837 -37.16930 21.62566 
1 1 1   -4   14   81 o   36.345   10.646   3.7862   8.9903  -5.7429   11.624   17.972   14.183   27.455   12.792   45.236   17.022 -17.78054 21.29267 
1 1 1   -4   14   82 o   52.107   11.961   25.642   9.6311   24.863   12.965   26.601   14.386   51.657   16.447   52.558   17.371 -0.9014053 23.92237 
1 1 1   -4   14   83 o   42.176   11.512   15.775   9.3723   17.433   12.717   13.804   13.867   43.675   16.180   40.676   16.379 2.999630 23.02322 
1 1 1   -4   14   84 o   29.925   9.3725  -3.8665   8.7348   10.711   11.559 -23.2735   13.337   37.028   14.939   22.822   11.323 14.20609 18.74491 
1 1 1   -4   14   85 o   51.392   12.053   27.920   9.9585   30.955   13.365   24.132   14.931   55.397   16.541   47.388   17.537 8.008976 24.10651 
1 1 1   -4   14   86 o   29.506   9.6052  -0.9420   8.8149  -5.1946   11.783   4.4634   13.284   26.511   12.518   32.500   14.572 -5.989449 19.21042 
1 1 1   -4   15    1 o  197.441   5.8672  261.929   15.025  275.517   25.508  254.709   18.594  201.229   9.3539  193.653   7.0853 7.575912 11.73446 
1 1 1   -4   15    2 o  136.659   6.3935  129.644   11.263  118.150   18.662  136.230   14.126  131.707   10.456  141.611   7.3608 -9.904739 12.78699 
1 1 1   -4   15    3 f  200.598   4.8416  273.447   13.135  276.413   18.075  270.129   19.121  201.767   6.6108  199.430   7.0753 2.336899 9.683129 
1 1 1   -4   15    4 o  340.259   5.3716  786.104   24.743  775.638   34.130  797.698   35.922  337.891   7.4538  342.627   7.7367 -4.736053 10.74317 
1 1 1   -4   15    5 o  343.068   5.3884  799.964   25.034  807.775   34.864  791.649   35.968  344.817   7.4612  341.319   7.7763 3.498535 10.77688 
1 1 1   -4   15    6 o  337.734   5.3559  775.488   24.497  800.781   34.458  749.642   34.833  343.326   7.4062  332.142   7.7389 11.18372 10.71182 
1 1 1   -4   15    7 o  149.175   4.9428  150.988   9.9413  149.681   13.374  152.603   14.861  148.471   6.6474  149.879   7.3169 -1.408112 9.885540 
1 1 1   -4   15    8 o  115.168   5.4634   90.811   8.4538   97.024   11.494   83.491   12.477  119.517   7.0970  110.819   8.3082 8.698189 10.92673 
1 1 1   -4   15    9 f  338.083   5.3694  777.040   24.587  793.813   34.477  759.681   35.073  341.816   7.4430  334.349   7.7409 7.466553 10.73870 
1 1 1   -4   15   10 o  220.678   4.8473  327.695   14.428  297.907   19.316  365.285   21.698  209.443   6.8056  231.914   6.9043 -22.47101 9.694632 
1 1 1   -4   15   11 o  160.022   4.9378  173.048   10.671  163.855   14.383  184.303   15.915  155.327   6.8329  164.717   7.1300 -9.389725 9.875506 
1 1 1   -4   15   12 f  211.158   6.1021  295.444   15.770  285.607   18.514  321.452   30.103  205.079   6.6619  217.238   10.226 -12.15921 12.20420 
1 1 1   -4   15   13 o  239.081   5.5532  387.909   17.992  387.909   17.992   0.0000   0.0000  239.081   5.5532  ?   ?       ?      ? 
1 1 1   -4   15   14 o  322.012   7.5107  704.636   32.775  704.636   32.775   0.0000   0.0000  322.012   7.5107  ?   ?       ?      ? 
1 1 1   -4   15   15 o   78.111   8.1202   44.688   7.0259   47.079   8.1466   37.747   13.881   83.242   7.2218   72.980   14.546 10.26248 16.24034 
1 1 1   -4   15   16 o  246.816   5.8724  409.811   18.438  401.573   22.383  427.203   32.522  243.149   6.7929  250.484   9.5811 -7.335266 11.74486 
1 1 1   -4   15   17 o  180.649   5.4454  218.957   11.586  216.085   13.362  227.657   23.256  178.434   5.5258  182.865   9.3848 -4.431244 10.89078 
1 1 1   -4   15   18 o  177.898   5.5035  217.510   11.470  219.911   13.274  210.431   22.792  180.008   5.4415  175.787   9.5680 4.221329 11.00708 
1 1 1   -4   15   19 o  225.393   5.4627  340.782   14.436  336.321   16.611  354.548   29.179  222.604   5.5065  228.182   9.4363 -5.578369 10.92548 
1 1 1   -4   15   20 o  142.339   5.5094  135.275   9.3160  132.688   10.778  142.919   18.526  139.810   5.6887  144.867   9.4368 -5.056595 11.01883 
1 1 1   -4   15   21 o   89.065   6.5850   51.242   7.0065   48.397   8.0690   59.962   14.126   84.393   7.0556   93.737   11.120 -9.343704 13.16992 
1 1 1   -4   15   22 o  131.625   5.5558  111.359   8.7323  104.799   10.047  131.622   17.657  124.235   5.9676  139.015   9.3730 -14.77970 11.11154 
1 1 1   -4   15   23 o  190.172   5.4202  241.697   12.160  237.469   14.022  254.521   24.421  187.036   5.5321  193.307   9.3226 -6.270874 10.84040 
1 1 1   -4   15   24 o   70.373   7.4659   31.719   6.5215   28.970   7.6568   38.985   12.446   65.237   8.6611   75.510   12.163 -10.27284 14.93178 
1 1 1   -4   15   25 o  125.348   6.0559  110.291   8.8623  113.780   10.297  100.317   17.408  129.445   5.8698  121.250   10.594 8.195107 12.11186 
1 1 1   -4   15   26 o  141.187   5.7369  137.066   9.6015  138.632   11.180  132.665   18.742  142.886   5.7739  139.487   9.9151 3.399002 11.47372 
1 1 1   -4   15   27 o  103.577   6.3474   73.285   7.8658   73.525   9.1867   72.626   15.226  104.024   6.5169  103.130   10.894 0.8947754 12.69488 
1 1 1   -4   15   28 o  196.195   5.8679  253.863   14.966  235.050   18.414  290.485   25.691  185.919   7.3085  206.471   9.1822 -20.55106 11.73573 
1 1 1   -4   15   29 o  257.296   6.1391  454.366   20.457  463.106   25.564  438.804   34.111  260.967   7.2288  253.626   9.9247 7.340897 12.27824 
1 1 1   -4   15   30 o  267.943   5.7891  488.795   18.296  488.852   21.187  488.628   36.281  268.284   5.8276  267.602   10.005 0.6816101 11.57821 
1 1 1   -4   15   31 o  276.205   5.8176  518.693   18.989  517.920   22.003  520.948   37.590  276.131   5.8800  276.280   10.040 -0.1492310 11.63529 
1 1 1   -4   15   32 o  178.176   5.5733  215.430   11.929  214.665   13.941  217.521   23.055  177.774   5.7867  178.577   9.5268 -0.8030853 11.14657 
1 1 1   -4   15   33 f  156.277   5.6734  167.254   10.673  168.420   12.520  164.153   20.412  157.455   5.8678  155.098   9.7117 2.356720 11.34671 
1 1 1   -4   15   34 o  107.263   6.2354   75.381   8.3051   71.182   9.8060   86.035   15.620  102.299   7.0736  112.227   10.271 -9.928406 12.47075 
1 1 1   -4   15   35 o  169.098   5.7113  197.801   11.638  201.597   13.706  187.993   22.033  172.256   5.8717  165.940   9.7979 6.315704 11.42261 
1 1 1   -4   15   36 o  278.223   6.0421  526.044   22.780  526.044   22.780   0.0000   0.0000  278.223   6.0421  ?   ?       ?      ? 
1 1 1   -4   15   37 o  189.968   6.0168  245.255   15.489  245.255   15.489   0.0000   0.0000  189.968   6.0168  ?   ?       ?      ? 
1 1 1   -4   15   38 o   87.208   7.0866   45.941   7.8422   35.298   9.3135   71.875   14.538   71.898   9.5590  102.518   10.465 -30.61980 14.17327 
1 1 1   -4   15   39 o  251.706   5.6519  431.103   17.105  430.433   20.010  432.923   32.961  251.665   5.8674  251.746   9.6618 -0.8100891E-01 11.30384 
1 1 1   -4   15   40 o   47.763   9.9447   16.534   6.8507   19.134   8.3656   11.240   11.937   51.779   12.134   43.747   15.759 8.032127 19.88938 
1 1 1   -4   15   41 f   97.120   7.0013   68.053   8.3083   73.797   10.066   55.778   14.715  104.116   7.1346   90.124   12.049 13.99190 14.00253 
1 1 1   -4   15   42 o  155.487   6.0153  174.812   11.251  188.826   13.480  142.623   20.429  166.650   5.9688  144.323   10.445 22.32719 12.03057 
1 1 1   -4   15   43 o   72.395   8.4963   38.500   7.5046   42.347   9.2997   31.317   12.707   78.755   8.7139   66.036   14.588 12.71844 16.99270 
1 1 1   -4   15   44 o   73.273   7.2501   37.231   7.0951   33.446   10.631   40.271   9.5274   69.792   11.241   76.753   9.1599 -6.960945 14.50022 
1 1 1   -4   15   45 f   78.435   8.6916   43.744   8.1353   41.341   14.836   44.777   9.7284   75.931   14.950   80.939   8.8695 -5.008385 17.38320 
1 1 1   -4   15   46 o   46.913   8.9722   13.766   6.4969   26.654   9.8949   3.9989   8.6139   61.116   12.372   32.709   12.998 28.40741 17.94446 
1 1 1   -4   15   47 o  113.862   7.9261   87.753   12.094  108.565   18.346   71.759   16.083  125.673   10.773  102.052   11.629 23.62104 15.85222 
1 1 1   -4   15   48 o   68.045   16.589   33.765   15.159   33.765   15.159   0.0000   0.0000   68.045   16.589  ?   ?       ?      ? 
1 1 1   -4   15   49 o   79.067   10.663   43.048   11.425   43.048   11.425   0.0000   0.0000   79.067   10.663  ?   ?       ?      ? 
1 1 1   -4   15   50 o  110.854   5.7485   85.080   8.5138   76.940   12.775   91.583   11.419  105.918   8.9006  115.790   7.2775 -9.871468 11.49704 
1 1 1   -4   15   51 o  190.794   4.9441  248.844   12.747  245.867   18.678  251.439   17.440  189.664   7.2670  191.924   6.7057 -2.260574 9.888153 
1 1 1   -4   15   52 o   86.164   6.7072   51.564   7.7022   48.313   11.800   53.977   10.167   83.638   10.411   88.691   8.4589 -5.053177 13.41432 
1 1 1   -4   15   53 o  160.161   5.0898  175.475   11.000  176.212   16.340  174.864   14.875  160.397   7.5174  159.925   6.8639 0.4718628 10.17955 
1 1 1   -4   15   54 o  126.963   6.7782  112.197   11.303  115.177   14.436  107.477   18.171  129.471   8.2279  124.454   10.774 5.017906 13.55648 
1 1 1   -4   15   55 o  109.940   5.7752   83.508   8.5221   80.046   12.815   86.252   11.411  107.763   8.7753  112.118   7.5106 -4.355209 11.55050 
1 1 1   -4   15   56 o   38.451   10.583   1.6726   8.3246   16.970   13.996  -6.7023   10.356   49.813   17.136   27.089   12.426 22.72439 21.16675 
1 1 1   -4   15   57 o   63.827   9.8387   31.239   7.6911   25.148   14.435   33.653   9.0885   58.026   17.159   69.628   9.6322 -11.60200 19.67744 
1 1 1   -4   15   58 o  117.795   6.9651  100.595   9.9393   87.209   18.097  106.377   11.894  111.175   12.012  124.415   7.0544 -13.23996 13.93027 
1 1 1   -4   15   59 o  117.244   5.4338   94.966   8.5707   93.853   12.874   95.851   11.486  116.493   8.1550  117.995   7.1834 -1.501724 10.86762 
1 1 1   -4   15   60 f   78.607   6.7361   43.404   7.0680   41.517   10.832   44.803   9.3274   76.887   10.396   80.327   8.5688 -3.439690 13.47214 
1 1 1   -4   15   61 o   62.037   8.0281   27.753   6.4768   27.604   10.147   27.855   8.4136   61.067   12.677   63.008   9.8538 -1.940632 16.05616 
1 1 1   -4   15   62 o   28.871   8.4544   1.7465   5.6005  -3.8417   9.0571   5.2060   7.1262   26.368   11.909   31.373   12.004 -5.005157 16.90881 
1 1 1   -4   15   63 o   84.368   7.9332   50.928   8.2301   50.541   15.134   51.090   9.8070   83.208   13.422   85.529   8.4613 -2.321724 15.86641 
1 1 1   -4   15   64 o   46.718   10.458   15.569   6.9161   18.664   12.894   14.319   8.1947   49.656   16.447   43.780   12.923 5.875965 20.91692 
1 1 1   -4   15   65 o   66.080   9.5429   34.836   7.6522   27.716   13.959   37.895   9.1495   58.921   16.712   73.238   9.2188 -14.31737 19.08583 
1 1 1   -4   15   66 f   58.596   10.186   26.345   7.4759   27.334   14.042   25.954   8.8316   58.195   16.843   58.998   11.459 -0.8030205 20.37140 
1 1 1   -4   15   67 o   42.250   10.338   13.100   6.8801   10.592   13.162   14.043   8.0705   41.488   16.194   43.011   12.856 -1.523891 20.67664 
1 1 1   -4   15   68 o   52.047   11.762   21.853   9.3663   22.787   13.465   20.978   13.037   52.978   16.750   51.117   16.516 1.861797 23.52342 
1 1 1   -4   15   69 f   50.431   11.590   20.470   9.1709   23.935   12.876   16.902   13.065   54.092   16.254   46.770   16.525 7.322102 23.17922 
1 1 1   -4   15   70 o   61.154   15.809   30.667   13.197   30.667   13.197   0.0000   0.0000   61.154   15.809  ?   ?       ?      ? 
1 1 1   -4   15   71 o   60.427   15.579   30.011   12.839   30.011   12.839   0.0000   0.0000   60.427   15.579  ?   ?       ?      ? 
1 1 1   -4   15   72 o   46.665   10.708   16.012   9.0014   28.777   12.396   1.7699   13.093   59.107   15.342   34.223   14.942 24.88387 21.41551 
1 1 1   -4   15   73 o   42.599   11.252   13.095   8.7466   9.8044   11.733   17.211   13.122   38.909   15.262   46.289   16.539 -7.379787 22.50467 
1 1 1   -4   15   74 o   43.706   11.360   14.177   8.9295   9.5407   11.997   19.935   13.371   38.688   15.350   48.725   16.749 -10.03776 22.71938 
1 1 1   -4   15   75 o   47.084   11.569   18.570   9.0772   20.341   12.413   16.535   13.308   48.976   16.134   45.191   16.585 3.784702 23.13738 
1 1 1   -4   15   76 o   28.045   13.094  -6.9923   12.277   0.0000   0.0000  -6.9923   12.277  ?   ?    28.045   13.094      ?      ? 
1 1 1   -4   15   77 o   53.056   17.407   25.726   14.456   0.0000   0.0000   25.726   14.456  ?   ?    53.056   17.407      ?      ? 
1 1 1   -4   15   78 o   32.744   10.127   2.4819   8.6389   5.6567   11.602  -1.4681   12.941   34.362   14.512   31.125   14.129 3.236935 20.25399 
1 1 1   -4   15   79 o   36.745   10.686   8.7263   8.5987   10.537   11.775   6.6571   12.586   38.013   15.168   35.476   15.056 2.537216 21.37165 
1 1 1   -4   15   80 o   48.292   11.159   19.426   9.3291   7.0047   12.458   35.283   14.076   35.253   14.971   61.331   16.552 -26.07841 22.31839 
1 1 1   -4   15   81 o   36.843   10.788   9.7981   8.7957   9.4274   12.196   10.200   12.697   36.446   15.097   37.241   15.414 -0.7951775 21.57543 
1 1 1   -4   15   82 o   50.932   11.781   26.435   9.6934   32.497   13.461   19.904   13.970   57.353   16.459   44.512   16.860 12.84068 23.56209 
1 1 1   -4   15   83 o   31.980   10.122   3.5191   9.0095   1.3496   12.339   5.9967   13.186   30.378   13.792   33.582   14.818 -3.203768 20.24314 
1 1 1   -4   16    1 o  119.025   5.4588   96.636   8.7507   99.331   11.837   93.389   12.994  120.887   7.2260  117.163   8.1840 3.723679 10.91756 
1 1 1   -4   16    2 o  193.363   4.8718  254.527   12.730  261.195   17.500  247.034   18.551  196.081   6.5860  190.644   7.1807 5.436859 9.743624 
1 1 1   -4   16    3 o  122.926   5.3972  100.976   8.9124   88.368   11.728  118.211   13.712  114.002   7.5914  131.849   7.6741 -17.84695 10.79450 
1 1 1   -4   16    4 o  280.775   5.0946  536.446   19.358  550.571   26.915  521.308   27.862  284.635   6.9779  276.914   7.4249 7.721497 10.18920 
1 1 1   -4   16    5 o  219.135   6.2189  329.014   16.836  332.117   20.099  321.715   30.824  221.093   6.7082  217.177   10.474 3.916260 12.43775 
1 1 1   -4   16    6 o  200.531   6.1730  268.128   15.101  261.148   17.719  286.648   28.864  196.055   6.6694  205.008   10.390 -8.952850 12.34606 
1 1 1   -4   16    7 o  235.381   6.2629  384.464   18.216  395.589   21.865  359.225   32.935  241.296   6.6868  229.465   10.592 11.83101 12.52576 
1 1 1   -4   16    8 o  148.488   5.0871  149.813   10.175  149.335   13.655  150.411   15.259  148.247   6.7970  148.729   7.5708 -0.4825439 10.17427 
1 1 1   -4   16    9 o  191.049   4.8794  247.262   12.595  238.569   17.051  257.701   18.686  187.380   6.7148  194.718   7.0814 -7.338074 9.758852 
1 1 1   -4   16   10 o  229.786   4.9298  359.050   15.322  362.218   21.085  355.504   22.304  230.883   6.7389  228.688   7.1972 2.195007 9.859603 
1 1 1   -4   16   11 o  330.587   5.3565  743.429   23.984  751.813   33.481  734.592   34.372  332.525   7.4300  328.650   7.7178 3.875458 10.71304 
1 1 1   -4   16   12 o  124.448   5.3462  104.499   8.9762   96.772   12.024  114.227   13.491  119.299   7.4374  129.597   7.6820 -10.29821 10.69238 
1 1 1   -4   16   13 o  211.917   5.4901  297.016   13.581  289.194   15.547  322.211   27.902  206.390   5.5587  217.444   9.4692 -11.05420 10.98019 
1 1 1   -4   16   14 f   53.415   8.8456   24.319   6.3468   30.576   7.3569   6.1114   12.550   67.033   8.0988   39.797   15.728 27.23611 17.69112 
1 1 1   -4   16   15 o  160.139   5.6279  172.159   10.505  169.974   12.056  179.052   21.414  158.221   5.6227  162.056   9.7509 -3.834457 11.25583 
1 1 1   -4   16   16 o  248.841   5.6947  425.297   16.596  429.278   19.195  413.510   33.031  251.441   5.6335  246.240   9.8986 5.200577 11.38943 
1 1 1   -4   16   17 o  167.716   5.6223  190.656   11.064  189.915   12.765  192.893   22.182  167.240   5.6326  168.191   9.7321 -0.9513702 11.24453 
1 1 1   -4   16   18 o   48.702   8.9750   18.734   6.3720   24.034   7.4558   4.3779   12.272   59.384   9.2650   38.021   15.374 21.36246 17.94991 
1 1 1   -4   16   19 f  216.284   5.5682  313.700   14.080  309.289   16.176  327.485   28.598  213.421   5.5931  219.146   9.6299 -5.724670 11.13632 
1 1 1   -4   16   20 o  192.498   5.4446  241.287   12.322  231.090   14.107  274.104   25.307  184.472   5.6431  200.524   9.3130 -16.05193 10.88928 
1 1 1   -4   16   21 o  199.007   5.5381  263.684   12.907  258.127   14.816  281.169   26.283  194.964   5.6079  203.050   9.5517 -8.085526 11.07628 
1 1 1   -4   16   22 o  199.449   5.5589  267.047   13.049  263.367   15.043  278.233   26.228  196.927   5.6368  201.972   9.5829 -5.044373 11.11784 
1 1 1   -4   16   23 o  148.716   6.1696  147.410   12.017  138.664   14.974  163.234   20.143  142.742   7.7413  154.690   9.6089 -11.94785 12.33928 
1 1 1   -4   16   24 o  251.957   6.0937  427.272   19.830  415.672   24.420  449.731   33.978  247.194   7.2899  256.719   9.7668 -9.525040 12.18738 
1 1 1   -4   16   25 o  264.571   5.8124  474.872   18.203  472.932   21.096  480.524   36.010  263.845   5.9003  265.297   10.016 -1.451630 11.62486 
1 1 1   -4   16   26 o  111.638   6.2739   80.769   8.4888   76.031   9.8537   94.405   16.718  105.737   6.8768  117.538   10.496 -11.80112 12.54789 
1 1 1   -4   16   27 o  194.153   5.6672  250.993   13.071  245.068   15.108  268.633   26.066  189.923   5.8699  198.382   9.6959 -8.458511 11.33434 
1 1 1   -4   16   28 o  246.978   5.7365  402.303   16.763  389.173   19.294  442.720   33.851  239.320   5.9494  254.636   9.8099 -15.31537 11.47298 
1 1 1   -4   16   29 o  306.718   6.1584  655.648   22.497  672.284   26.365  611.098   43.145  314.501   6.1861  298.934   10.651 15.56668 12.31681 
1 1 1   -4   16   30 o  141.878   6.0054  131.744   10.385  125.216   12.119  149.782   20.147  135.697   6.5904  148.060   10.041 -12.36282 12.01071 
1 1 1   -4   16   31 f   83.172   7.8782   39.515   7.9389   31.056   9.0730   67.149   16.399   67.420   9.9308   98.924   12.233 -31.50430 15.75639 
1 1 1   -4   16   32 o  255.941   5.8784  445.178   20.388  445.178   20.388   0.0000   0.0000  255.941   5.8784  ?   ?       ?      ? 
1 1 1   -4   16   33 o  136.687   6.2240  119.368   9.9633  112.107   11.345  143.855   20.833  128.387   6.5207  144.986   10.604 -16.59930 12.44807 
1 1 1   -4   16   34 o  230.428   5.7433  367.273   15.785  373.438   18.470  350.572   30.399  234.404   5.8145  226.452   9.9062 7.951340 11.48655 
1 1 1   -4   16   35 o  135.721   5.8907  118.721   9.8306  110.131   11.491  142.173   18.986  127.226   6.6649  144.216   9.7150 -16.99086 11.78147 
1 1 1   -4   16   36 o  123.585   6.0513  101.423   9.2899   97.456   11.009  111.234   17.312  119.662   6.7892  127.508   10.019 -7.845497 12.10254 
1 1 1   -4   16   37 o  113.249   6.6093   92.583   9.0496   99.803   10.869   76.265   16.340  121.098   6.6231  105.401   11.440 15.69776 13.21866 
1 1 1   -4   16   38 o  126.980   6.1431  112.092   9.6086  115.042   11.502  105.276   17.482  130.012   6.5281  123.948   10.408 6.064651 12.28613 
1 1 1   -4   16   39 o  115.780   6.7207   95.135   9.3952   99.753   11.174   83.995   17.355  121.029   6.8130  110.532   11.587 10.49685 13.44138 
1 1 1   -4   16   40 o  198.107   5.6754  263.904   13.616  259.139   15.935  276.796   26.209  195.159   6.0254  201.055   9.6196 -5.895798 11.35087 
1 1 1   -4   16   41 o  210.874   5.9726  304.455   16.286  305.813   20.239  301.960   27.431  211.814   7.0509  209.933   9.6422 1.881317 11.94518 
1 1 1   -4   16   42 o   97.369   7.2760   64.948   9.3493   64.424   11.918   65.788   15.076   97.004   9.0662   97.735   11.383 -0.7309723 14.55205 
1 1 1   -4   16   43 o  200.085   6.0059  277.980   15.577  288.948   19.606  259.202   25.652  205.821   7.0293  194.348   9.7401 11.47353 12.01172 
1 1 1   -4   16   44 o  176.126   6.1536  211.267   14.457  205.865   18.746  219.195   22.710  173.516   7.9722  178.736   9.3760 -5.219772 12.30713 
1 1 1   -4   16   45 o   97.166   7.1825   67.478   8.7932   72.722   10.885   57.627   14.919  103.121   7.7893   91.210   12.070 11.91071 14.36501 
1 1 1   -4   16   46 o   72.793   7.9216   35.828   7.5465   33.676   9.3952   39.741   12.669   69.940   9.9128   75.646   12.359 -5.705986 15.84312 
1 1 1   -4   16   47 o  178.537   5.7806  220.783   12.617  223.928   14.979  213.105   23.406  181.205   6.1001  175.870   9.8210 5.335159 11.56126 
1 1 1   -4   16   48 o   60.092   9.6839   25.955   7.4326   25.339   9.1956   27.116   12.623   59.396   11.840   60.788   15.327 -1.392895 19.36781 
1 1 1   -4   16   49 o  123.843   5.4709  104.601   9.1543  112.800   13.599   97.807   12.379  128.240   7.8255  119.447   7.6476 8.793930 10.94185 
1 1 1   -4   16   50 o  103.213   6.9961   71.886   9.5464   65.977   12.041   81.887   15.664   97.811   9.0841  108.615   10.642 -10.80410 13.99218 
1 1 1   -4   16   51 o   39.663   10.424   9.0823   7.4570   10.595   9.6457   6.8349   11.756   40.565   14.210   38.761   15.254 1.804005 20.84699 
1 1 1   -4   16   52 o   51.899   10.785   19.455   8.9813   6.3744   13.458   29.958   12.060   40.066   16.135   63.731   14.314 -23.66499 21.56920 
1 1 1   -4   16   53 o   61.177   10.083   26.053   8.3592   0.0000   0.0000   26.053   8.3592  ?   ?    61.177   10.083      ?      ? 
1 1 1   -4   16   54 o  111.978   10.516   87.687   15.957   0.0000   0.0000   87.687   15.957  ?   ?   111.978   10.516      ?      ? 
1 1 1   -4   16   55 o   38.522   9.3321   8.2973   6.1848   16.105   9.5233   2.6025   8.1334   46.881   13.954   30.163   12.395 16.71814 18.66418 
1 1 1   -4   16   56 o   48.633   9.2416   17.277   6.1503   19.288   9.5934   15.873   8.0138   50.879   13.637   46.387   12.477 4.492355 18.48313 
1 1 1   -4   16   57 o   31.637   9.0293   3.8793   5.8982   2.7668   9.4193   4.5968   7.5649   31.975   13.258   31.299   12.261 0.6752110 18.05855 
1 1 1   -4   16   58 o   55.794   8.8675   23.018   6.4812   24.263   9.9848   22.111   8.5201   56.893   13.205   54.695   11.839 2.197815 17.73499 
1 1 1   -4   16   59 o  105.986   7.1853   78.233   9.3668   82.367   17.507   76.575   11.087  107.004   12.073  104.968   7.7945 2.036606 14.37053 
1 1 1   -4   16   60 o   89.900   7.8311   59.004   8.5101   54.910   15.792   60.679   10.102   86.516   13.470   93.285   7.9916 -6.769112 15.66216 
1 1 1   -4   16   61 o   47.556   10.044   18.162   6.9872   10.582   13.276   21.066   8.2173   42.034   16.304   53.078   11.736 -11.04461 20.08882 
1 1 1   -4   16   62 o   40.958   10.399   9.8811   6.6365   17.036   13.046   7.3830   7.7084   47.647   16.535   34.270   12.615 13.37778 20.79795 
1 1 1   -4   16   63 o   62.974   9.9471   30.140   7.6313   30.734   14.729   29.921   8.9222   61.354   17.084   64.593   10.193 -3.238819 19.89414 
1 1 1   -4   16   64 o   44.527   10.306   11.465   6.8455   25.495   13.030   6.1160   8.0451   56.104   16.221   32.950   12.717 23.15429 20.61130 
1 1 1   -4   16   65 o   40.469   11.019   9.3026   8.8681   16.648   12.849   2.6213   12.255   46.575   16.395   34.362   14.726 12.21299 22.03803 
1 1 1   -4   16   66 o   53.234   11.711   23.297   9.3671   21.522   13.258   25.067   13.236   51.349   16.662   55.120   16.461 -3.771393 23.42195 
1 1 1   -4   16   67 o   36.963   15.137   6.7172   12.079   6.7172   12.079   0.0000   0.0000   36.963   15.137  ?   ?       ?      ? 
1 1 1   -4   16   68 o   38.971   15.260   9.6111   11.716   9.6111   11.716   0.0000   0.0000   38.971   15.260  ?   ?       ?      ? 
1 1 1   -4   16   69 o   38.385   10.942   8.3751   8.7671   6.3845   12.047   10.616   12.782   36.416   15.038   40.355   15.897 -3.939808 21.88330 
1 1 1   -4   16   70 o   28.112   9.1796  -5.8479   8.2232  -2.6470   10.847 -10.1734   12.610   28.847   13.030   27.377   12.934 1.469891 18.35926 
1 1 1   -4   16   71 o   42.944   11.361   14.058   8.9238   15.126   12.271   12.858   13.001   43.867   15.951   42.021   16.180 1.845863 22.72109 
1 1 1   -4   16   72 o   42.201   11.244   13.042   8.7456   9.5887   11.589   17.612   13.330   38.249   15.115   46.153   16.650 -7.903900 22.48703 
1 1 1   -4   16   73 o   39.552   10.912   9.4361   8.6506   3.0363   11.384   18.181   13.308   32.736   14.114   46.368   16.646 -13.63207 21.82425 
1 1 1   -4   16   74 o   47.924   16.770   20.213   13.433   0.0000   0.0000   20.213   13.433  ?   ?    47.924   16.770      ?      ? 
1 1 1   -4   16   75 o   51.698   16.933   24.558   13.680   0.0000   0.0000   24.558   13.680  ?   ?    51.698   16.933      ?      ? 
1 1 1   -4   16   76 o   42.239   10.836   12.163   8.9029   0.6144   11.951   26.565   13.345   31.056   13.880   53.421   16.644 -22.36548 21.67201 
1 1 1   -4   16   77 o   49.249   11.521   22.892   9.3598   29.191   12.821   15.705   13.696   56.094   16.053   42.403   16.528 13.69060 23.04104 
1 1 1   -4   16   78 o   53.221   11.667   27.045   9.5970   19.073   13.080   36.340   14.124   44.799   16.442   61.644   16.557 -16.84424 23.33376 
1 1 1   -4   16   79 o   35.174   10.634   7.9160   8.9879   8.4394   12.168   7.2874   13.334   35.271   14.877   35.076   15.198 0.1957741 21.26755 
1 1 1   -4   16   80 o   42.786   11.625   18.508   9.5007   19.667   13.199   17.261   13.687   43.871   16.438   41.701   16.443 2.170025 23.25007 
1 1 1   -4   17    1 o  130.328   6.5407  118.465   11.221  102.603   17.374  129.815   14.698  122.557   10.461  138.099   7.8537 -15.54143 13.08133 
1 1 1   -4   17    2 o  156.625   6.0755  169.163   12.541  157.808   19.850  176.707   16.180  152.087   9.6312  161.162   7.4084 -9.075638 12.15094 
1 1 1   -4   17    3 f  139.927   6.1237  132.716   11.420  137.146   17.980  129.720   14.785  141.809   9.3561  138.044   7.9035 3.764313 12.24749 
1 1 1   -4   17    4 f  168.500   5.0862  193.818   11.563  202.575   15.861  183.886   16.892  172.613   6.7807  164.387   7.5828 8.225601 10.17237 
1 1 1   -4   17    5 o  216.208   5.0029  317.715   14.626  314.926   19.987  320.930   21.458  215.212   6.8534  217.204   7.2902 -1.992096 10.00582 
1 1 1   -4   17    6 o  354.537   5.5662  855.951   26.727  866.211   37.303  845.128   38.313  356.753   7.7160  352.321   8.0245 4.432098 11.13238 
1 1 1   -4   17    7 o  182.149   5.1155  226.723   12.568  242.341   17.386  209.627   18.190  188.792   6.7957  175.507   7.6481 13.28572 10.23109 
1 1 1   -4   17    8 o  228.754   5.0500  356.270   15.625  362.038   21.542  349.868   22.696  230.740   6.8893  226.768   7.3857 3.971848 10.10009 
1 1 1   -4   17    9 o  222.668   5.0358  337.540   15.167  342.716   20.919  331.803   22.024  224.498   6.8760  220.837   7.3593 3.660583 10.07167 
1 1 1   -4   17   10 o  287.556   5.2195  562.233   20.310  556.034   27.915  569.206   29.605  285.901   7.2050  289.211   7.5538 -3.310028 10.43896 
1 1 1   -4   17   11 f  239.811   5.0964  392.166   16.521  415.527   23.085  367.637   23.655  247.191   6.8916  232.431   7.5101 14.75981 10.19289 
1 1 1   -4   17   12 o  196.751   5.0423  264.246   13.396  282.447   18.655  244.863   19.250  203.811   6.7543  189.690   7.4887 14.12018 10.08470 
1 1 1   -4   17   13 o  208.314   5.6404  293.101   13.672  290.852   15.697  300.171   27.831  206.933   5.5976  209.696   9.7940 -2.762939 11.28082 
1 1 1   -4   17   14 o   57.147   9.7066   18.063   6.6110   12.882   7.4833   36.482   14.110   42.844   12.265   71.450   15.048 -28.60616 19.41319 
1 1 1   -4   17   15 o  113.886   6.4104   86.668   8.5200   84.992   9.7692   91.996   17.414  111.814   6.4473  115.958   11.082 -4.143906 12.82087 
1 1 1   -4   17   16 o  222.627   5.6540  321.708   14.649  307.700   16.685  368.840   30.604  212.816   5.7854  232.437   9.7159 -19.62090 11.30793 
1 1 1   -4   17   17 o   89.424   10.056   68.243   10.526  105.581   13.980   19.364   15.995  124.484   8.2873   54.364   18.324 70.11999 20.11109 
1 1 1   -4   17   18 o  165.305   6.5271  192.743   13.951  212.023   17.847  162.449   22.371  176.493   7.4618  154.117   10.711 22.37564 13.05415 
1 1 1   -4   17   19 o  162.631   6.5773  186.972   13.799  206.333   17.626  156.320   22.178  174.103   7.4708  151.158   10.827 22.94472 13.15451 
1 1 1   -4   17   20 o  155.475   5.8738  162.539   10.950  160.079   12.747  169.464   21.388  153.464   6.1295  157.486   10.022 -4.021484 11.74757 
1 1 1   -4   17   21 o   54.860   9.7619   17.515   6.7151   12.258   7.7845   32.804   13.275   42.049   12.639   67.672   14.881 -25.62260 19.52384 
1 1 1   -4   17   22 o   60.008   9.5053   25.861   6.9242   26.730   8.0736   23.445   13.465   62.565   9.5225   57.451   16.454 5.114349 19.01066 
1 1 1   -4   17   23 o  161.550   5.8641  180.267   11.140  182.754   12.928  173.092   21.958  163.989   5.8174  159.112   10.184 4.877487 11.72826 
1 1 1   -4   17   24 o  110.757   7.0016   89.719   8.8363   95.619   10.261   72.782   17.384  118.579   6.3853  102.934   12.463 15.64575 14.00316 
1 1 1   -4   17   25 o  250.734   5.7345  416.059   16.879  404.156   19.368  453.641   34.416  243.850   5.8611  257.618   9.8582 -13.76762 11.46891 
1 1 1   -4   17   26 o   83.453   7.7556   43.339   7.8226   38.710   8.9958   57.697   15.842   75.314   8.8141   91.591   12.763 -16.27641 15.51115 
1 1 1   -4   17   27 o  103.983   7.1151   73.612   10.026   73.612   10.026   0.0000   0.0000  103.983   7.1151  ?   ?       ?      ? 
1 1 1   -4   17   28 o  105.969   7.1387   76.463   10.251   76.463   10.251   0.0000   0.0000  105.969   7.1387  ?   ?       ?      ? 
1 1 1   -4   17   29 o  199.344   5.7882  272.759   13.657  274.602   15.872  267.507   26.799  200.974   5.8278  197.713   10.002 3.261642 11.57640 
1 1 1   -4   17   30 o  151.337   5.9640  158.934   10.823  162.088   12.714  150.630   20.627  154.375   6.0774  148.300   10.264 6.074844 11.92805 
1 1 1   -4   17   31 o  125.079   6.5927  106.837   10.515  106.553   12.852  107.411   18.288  125.021   7.5860  125.137   10.784 -0.1151505 13.18532 
1 1 1   -4   17   32 f   90.418   7.8273   58.464   8.8837   63.186   10.971   49.472   15.140   96.194   8.4160   84.641   13.200 11.55284 15.65452 
1 1 1   -4   17   33 o   71.038   9.7724   40.988   8.5712   51.863   10.655   21.044   14.429   87.085   9.0286   54.991   17.334 32.09386 19.54476 
1 1 1   -4   17   34 o   96.044   7.4408   63.636   9.2572   64.417   11.555   62.236   15.468   97.060   8.7851   95.027   12.012 2.032814 14.88154 
1 1 1   -4   17   35 o  129.217   6.4708  112.396   10.783  108.289   13.232  120.515   18.604  125.950   7.7525  132.484   10.363 -6.533699 12.94157 
1 1 1   -4   17   36 o   65.076   9.7927   30.717   8.2053   32.703   10.261   27.194   13.666   68.933   10.984   61.219   16.215 7.713612 19.58543 
1 1 1   -4   17   37 o  149.283   6.1736  160.824   11.052  172.073   13.179  134.155   20.291  158.952   6.1181  139.613   10.725 19.33917 12.34721 
1 1 1   -4   17   38 o  170.331   5.8028  199.641   11.990  201.105   14.137  195.891   22.630  171.822   6.0713  168.840   9.8909 2.981827 11.60561 
1 1 1   -4   17   39 o   44.155   10.321   12.476   6.8531   10.970   8.3630   15.553   11.957   40.403   13.239   47.906   15.837 -7.502354 20.64191 
1 1 1   -4   17   40 o   58.940   10.513   25.812   8.5067   30.854   11.397   19.469   12.782   65.441   13.305   52.439   16.281 13.00230 21.02608 
1 1 1   -4   17   41 o   84.784   7.5378   50.000   8.0526   50.626   9.7797   48.682   14.190   85.921   8.3993   83.646   12.519 2.274689 15.07557 
1 1 1   -4   17   42 o   89.494   7.2767   54.621   8.1910   53.475   9.8492   57.192   14.750   88.296   8.2315   90.693   12.002 -2.397110 14.55336 
1 1 1   -4   17   43 o  122.317   6.4267  103.442   9.7176  104.115   11.605  101.864   17.775  123.386   6.9409  121.248   10.818 2.138443 12.85341 
1 1 1   -4   17   44 o  126.833   6.4398  111.387   10.027  112.137   11.918  109.570   18.549  128.026   6.8697  125.639   10.894 2.386612 12.87953 
1 1 1   -4   17   45 o   53.874   10.116   22.297   7.4480   25.516   9.0882   15.714   12.997   59.524   11.684   48.224   16.516 11.29992 20.23136 
1 1 1   -4   17   46 o  153.322   6.4446  160.829   13.390  160.829   13.390   0.0000   0.0000  153.322   6.4446  ?   ?       ?      ? 
1 1 1   -4   17   47 o  123.584   11.110  106.680   18.607  106.680   18.607   0.0000   0.0000  123.584   11.110  ?   ?       ?      ? 
1 1 1   -4   17   48 o   71.405   9.3630   37.921   8.6602   45.717   11.741   28.617   12.826   80.909   10.708   61.900   15.362 19.00879 18.72607 
1 1 1   -4   17   49 o   40.981   10.525   10.468   7.5427   11.120   10.193   9.6795   11.215   41.329   14.597   40.633   15.166 0.6960144 21.04929 
1 1 1   -4   17   50 o  142.800   6.0392  144.484   10.592  149.359   12.693  133.303   19.223  147.559   6.3476  138.041   10.276 9.518051 12.07843 
1 1 1   -4   17   51 o   65.340   9.0288   29.553   7.3534   25.703   8.9311   37.655   12.957   59.406   11.510   71.274   13.914 -11.86799 18.05764 
1 1 1   -4   17   52 o  115.707   6.3640   93.221   9.1777   93.097   11.014   93.501   16.601  116.219   6.9932  115.195   10.635 1.023811 12.72796 
1 1 1   -4   17   53 o  126.203   5.9991  104.164   9.5886   93.307   11.424  130.047   17.639  116.198   7.2550  136.207   9.5563 -20.00880 11.99821 
1 1 1   -4   17   54 o  157.051   6.2603  174.465   12.789  180.374   16.162  164.568   20.916  161.383   7.3904  152.718   10.107 8.664917 12.52055 
1 1 1   -4   17   55 o   77.986   6.8681   43.154   7.1916   40.512   10.704   45.329   9.7096   75.553   10.455   80.418   8.9097 -4.864944 13.73624 
1 1 1   -4   17   56 o   48.191   10.294   13.321   6.8817   29.591   13.540   7.6544   7.9907   61.367   16.086   35.015   12.851 26.35142 20.58869 
1 1 1   -4   17   57 o   55.803   9.6727   26.171   7.2783   14.529   13.620   30.824   8.6110   45.663   16.775   65.943   9.6361 -20.28013 19.34537 
1 1 1   -4   17   58 o   84.119   7.9934   49.395   8.1994   55.509   15.739   47.118   9.6059   86.464   13.433   81.775   8.6683 4.688957 15.98674 
1 1 1   -4   17   59 o   69.458   9.9072   41.978   8.2666   25.127   15.146   49.128   9.8657   55.539   17.787   83.376   8.7318 -27.83694 19.81447 
1 1 1   -4   17   60 o   70.080   10.799   39.484   9.9445   34.149   14.823   43.851   13.411   64.583   16.783   75.577   13.594 -10.99457 21.59770 
1 1 1   -4   17   61 o   45.222   10.647   13.407   7.0336   22.999   13.489   9.8250   8.2431   53.098   16.762   37.346   13.133 15.75186 21.29456 
1 1 1   -4   17   62 o   37.016   10.455   5.1095   8.7554  -6.4510   13.037   14.607   11.817   29.938   13.809   44.094   15.701 -14.15565 20.90986 
1 1 1   -4   17   63 o   86.305   9.3745   56.755   10.615   67.105   15.497   47.606   14.569   94.899   12.050   77.711   14.364 17.18866 18.74891 
1 1 1   -4   17   64 o   55.686   16.552   25.998   13.407   25.998   13.407   0.0000   0.0000   55.686   16.552  ?   ?       ?      ? 
1 1 1   -4   17   65 f   37.916   15.374   7.9709   12.310   7.9709   12.310   0.0000   0.0000   37.916   15.374  ?   ?       ?      ? 
1 1 1   -4   17   66 f   43.516   11.120   13.478   9.1240   22.272   12.574   3.7001   13.259   51.538   16.172   35.493   15.268 16.04461 22.24046 
1 1 1   -4   17   67 o   55.410   11.436   26.258   9.3112   31.397   12.907   20.681   13.446   61.299   15.522   49.520   16.800 11.77923 22.87276 
1 1 1   -4   17   68 o   61.796   11.143   32.858   9.6971   42.379   13.522   22.775   13.914   72.322   14.303   51.269   17.091 21.05338 22.28618 
1 1 1   -4   17   69 o   29.423   9.2451  -4.2382   8.0237   6.4560   11.150 -15.7232   11.555   35.200   14.494   23.646   11.481 11.55390 18.49027 
1 1 1   -4   17   70 o   71.971   10.969   43.950   10.381   43.787   14.520   44.121   14.847   71.984   15.354   71.959   15.669 0.2426147E-01 21.93744 
1 1 1   -4   17   71 o   24.985   11.938 -10.8901   11.359   0.0000   0.0000 -10.8901   11.359  ?   ?    24.985   11.938      ?      ? 
1 1 1   -4   17   72 o   28.639   13.211  -4.0493   11.934   0.0000   0.0000  -4.0493   11.934  ?   ?    28.639   13.211      ?      ? 
1 1 1   -4   17   73 o   33.180   10.240   3.6589   8.7101   5.1564   11.948   1.9602   12.725   33.883   14.531   32.477   14.431 1.406395 20.47993 
1 1 1   -4   17   74 o   35.578   10.413   6.6441   8.6904   14.758   12.199  -1.7170   12.383   41.319   15.730   29.837   13.650 11.48211 20.82689 
1 1 1   -4   17   75 o   35.510   10.591   7.8242   8.7332   4.9378   11.892   11.204   12.867   33.012   14.329   38.008   15.601 -4.995483 21.18252 
1 1 1   -4   17   76 o   31.085   9.8636   0.6638   8.6310  -4.8831   11.397   8.1222   13.216   26.706   12.516   35.465   15.248 -8.758894 19.72726 
1 1 1   -4   17   77 o   43.110   11.040   17.148   9.4269   29.377   13.122   4.1055   13.552   53.478   16.478   32.741   14.696 20.73685 22.07971 
1 1 1   -4   18    1 o   52.316   9.6167   19.743   6.8625   21.356   9.0244   17.531   10.567   54.697   12.454   49.935   14.657 4.761311 19.23340 
1 1 1   -4   18    2 o   51.998   9.6178   19.890   6.9431   23.735   9.0017   14.243   10.909   57.790   11.891   46.207   15.120 11.58345 19.23564 
1 1 1   -4   18    3 o   45.379   10.027   14.055   6.7816   13.855   8.8887   14.333   10.490   44.687   13.522   46.071   14.808 -1.384743 20.05303 
1 1 1   -4   18    4 o   58.862   9.2530   25.417   7.3666   32.169   9.8149   16.706   11.148   68.560   10.564   49.164   15.195 19.39660 18.50609 
1 1 1   -4   18    5 o  149.249   5.2878  150.243   10.621  140.101   14.055  163.743   16.216  143.458   7.2299  155.039   7.7181 -11.58185 10.57551 
1 1 1   -4   18    6 o   81.215   7.2104   44.232   7.8577   37.984   10.320   52.852   12.121   74.522   10.219   87.909   10.175 -13.38715 14.42076 
1 1 1   -4   18    7 o  137.290   5.5053  128.649   10.176  130.594   13.697  126.252   15.204  138.497   7.2981  136.084   8.2444 2.412354 11.01060 
1 1 1   -4   18    8 o   89.389   7.0949   56.255   8.3368   65.366   11.180   44.844   12.512   97.904   8.4267   80.874   11.417 17.02933 14.18977 
1 1 1   -4   18    9 o  315.682   5.4008  678.602   23.078  673.902   31.836  683.807   33.502  314.568   7.4682  316.797   7.8038 -2.229279 10.80150 
1 1 1   -4   18   10 o  100.649   6.5895   71.109   8.7214   86.427   11.979   53.834   12.722  112.620   7.8494   88.678   10.586 23.94247 13.17904 
1 1 1   -4   18   11 o   77.875   9.6946   43.155   9.5177   40.369   15.800   44.742   11.924   74.934   16.044   80.817   10.888 -5.882957 19.38920 
1 1 1   -4   18   12 o  121.201   8.3006  100.875   13.621   96.060   19.262  105.691   19.264  118.269   12.019  124.132   11.452 -5.863289 16.60115 
1 1 1   -4   18   13 o  281.243   6.4328  538.408   23.114  534.955   28.275  545.365   40.131  280.249   7.4452  282.236   10.493 -1.987213 12.86563 
1 1 1   -4   18   14 o   70.596   9.5874   47.395   7.7322   58.990   8.9370   12.872   15.420   93.083   7.0849   48.108   17.818 44.97513 19.17484 
1 1 1   -4   18   15 o   62.701   9.5543   35.141   7.4008   43.161   8.5291   10.702   14.889   79.571   7.9098   45.830   17.395 33.74122 19.10867 
1 1 1   -4   18   16 o  238.484   5.8211  380.311   16.053  373.502   18.333  402.686   33.236  234.401   5.7717  242.568   10.111 -8.166794 11.64224 
1 1 1   -4   18   17 o   39.110   10.387   8.1784   6.7900   9.0300   7.7858   5.4733   13.876   37.604   12.784   40.615   16.375 -3.011845 20.77383 
1 1 1   -4   18   18 o   94.145   7.1526   55.538   8.0071   50.610   9.1465   71.707   16.566   86.157   7.8340  102.133   11.969 -15.97592 14.30517 
1 1 1   -4   18   19 o   64.913   9.5975   30.153   7.2894   30.723   8.4149   28.439   14.590   67.041   9.2625   62.785   16.812 4.255596 19.19496 
1 1 1   -4   18   20 o  227.148   5.8457  354.392   15.540  356.678   17.957  347.573   31.014  229.032   5.7855  225.265   10.160 3.767059 11.69146 
1 1 1   -4   18   21 o   58.413   10.776   24.126   8.2155   24.126   8.2155   0.0000   0.0000   58.413   10.776  ?   ?       ?      ? 
1 1 1   -4   18   22 o   46.206   12.265   15.225   7.8077   15.225   7.8077   0.0000   0.0000   46.206   12.265  ?   ?       ?      ? 
1 1 1   -4   18   23 o  128.753   6.3572  112.837   11.092  112.837   11.092   0.0000   0.0000  128.753   6.3572  ?   ?       ?      ? 
1 1 1   -4   18   24 o  107.922   7.2244   84.299   8.9445   88.770   10.379   71.392   17.633  114.162   6.7088  101.683   12.797 12.47958 14.44879 
1 1 1   -4   18   25 o  172.083   5.8984  200.335   11.950  198.334   13.794  206.355   23.925  170.725   5.9620  173.440   10.179 -2.714371 11.79671 
1 1 1   -4   18   26 o  162.935   6.0613  185.359   11.707  189.706   13.680  173.466   22.628  166.949   6.0467  158.921   10.507 8.027374 12.12268 
1 1 1   -4   18   27 o  197.540   5.7528  256.459   13.388  246.641   15.360  287.507   27.313  190.358   5.9542  204.723   9.8451 -14.36490 11.50564 
1 1 1   -4   18   28 o  166.536   5.9761  186.979   11.745  184.209   13.559  195.301   23.505  164.480   6.0833  168.592   10.288 -4.112259 11.95212 
1 1 1   -4   18   29 o  152.581   6.2012  168.694   11.172  180.097   13.200  139.898   20.977  162.630   5.9896  142.532   10.860 20.09859 12.40247 
1 1 1   -4   18   30 o   47.564   10.340   16.155   6.9913   17.594   8.2112   12.362   13.330   49.464   12.301   45.665   16.623 3.799477 20.67931 
1 1 1   -4   18   31 f   59.724   9.5257   23.277   6.9957   19.487   8.2542   32.943   13.181   52.066   11.952   67.382   14.836 -15.31604 19.05143 
1 1 1   -4   18   32 o   78.163   8.7976   48.590   7.7226   55.916   9.2507   31.744   14.027   90.438   7.5481   65.887   15.894 24.55100 17.59521 
1 1 1   -4   18   33 o   55.273   9.6309   23.701   7.2625   28.459   8.7920   13.480   12.886   64.271   10.095   46.276   16.405 17.99557 19.26182 
1 1 1   -4   18   34 o  177.490   5.8799  218.070   12.505  220.524   14.655  211.494   23.985  179.845   6.0132  175.135   10.106 4.710358 11.75982 
1 1 1   -4   18   35 o  143.258   6.5155  137.910   12.341  127.201   15.577  155.963   20.226  136.137   8.4438  150.379   9.9251 -14.24142 13.03096 
1 1 1   -4   18   36 o   77.700   9.3760   40.386   9.4020   31.514   11.778   55.969   15.610   65.917   13.635   89.482   12.873 -23.56496 18.75194 
1 1 1   -4   18   37 o   63.291   9.8187   29.235   7.6866   30.091   9.1302   27.152   14.244   65.953   10.216   60.629   16.771 5.324177 19.63746 
1 1 1   -4   18   38 f  110.725   6.6884   80.745   9.1344   75.657   10.723   94.198   17.437  105.039   7.5336  116.410   11.054 -11.37054 13.37683 
1 1 1   -4   18   39 o   29.469   9.2651  -3.0181   7.3415  -1.7712   9.5075  -4.8595   11.554   28.887   12.669   30.052   13.523 -1.165054 18.53020 
1 1 1   -4   18   40 o  101.108   7.1377   68.261   9.5270   59.837   11.940   83.020   15.804   92.990   9.4754  109.227   10.677 -16.23621 14.27531 
1 1 1   -4   18   41 o   73.106   8.8986   37.737   8.5095   35.611   11.058   40.824   13.325   71.335   11.439   74.878   13.634 -3.543480 17.79725 
1 1 1   -4   18   42 o   55.322   16.914   22.628   13.855   22.628   13.855   0.0000   0.0000   55.322   16.914  ?   ?       ?      ? 
1 1 1   -4   18   43 o  133.176   8.2309  122.472   14.855  122.472   14.855   0.0000   0.0000  133.176   8.2309  ?   ?       ?      ? 
1 1 1   -4   18   44 o   54.172   9.6100   23.008   7.0948   26.879   8.5501   14.451   12.713   62.029   10.172   46.316   16.308 15.71302 19.21994 
1 1 1   -4   18   45 o   52.126   8.8183   22.963   7.0735   32.839   8.5984   2.2878   12.441   68.688   9.2375   35.564   15.024 33.12373 17.63667 
1 1 1   -4   18   46 o  125.045   6.3379  109.361   9.6792  110.098   11.473  107.541   18.028  126.514   6.6920  123.576   10.765 2.938293 12.67586 
1 1 1   -4   18   47 o   47.544   9.6143   17.762   7.0271   23.677   8.7268   6.8543   11.851   56.787   11.728   38.301   15.238 18.48609 19.22862 
1 1 1   -4   18   48 o   70.358   8.9496   38.987   7.6136   44.605   9.4064   28.315   12.965   79.988   8.6780   60.728   15.655 19.25970 17.89910 
1 1 1   -4   18   49 o   51.450   9.2188   21.396   6.9183   27.641   8.5312   9.4003   11.824   62.591   10.058   40.308   15.453 22.28241 18.43764 
1 1 1   -4   18   50 f   65.538   9.1048   33.149   7.2333   35.433   8.6927   28.006   13.042   71.067   9.0262   60.008   15.815 11.05936 18.20957 
1 1 1   -4   18   51 o   53.415   9.6908   20.855   6.7089   19.029   8.1438   24.711   11.835   50.387   12.083   56.443   15.154 -6.056007 19.38157 
1 1 1   -4   18   52 o   41.802   10.555   11.796   7.5435   9.4701   10.080   14.757   11.373   38.648   14.388   44.956   15.448 -6.307396 21.11012 
1 1 1   -4   18   53 o   46.450   10.423   15.138   7.6210   8.6760   10.036   23.940   11.712   37.682   14.286   55.218   15.181 -17.53609 20.84606 
1 1 1   -4   18   54 o   58.380   10.419   26.512   8.1776   24.782   10.790   28.847   12.534   56.405   14.143   60.354   15.304 -3.948753 20.83795 
1 1 1   -4   18   55 o   40.343   10.353   11.289   7.2995   11.880   9.8845   10.581   10.826   40.765   14.377   39.920   14.901 0.8447990 20.70570 
1 1 1   -4   18   56 o   39.103   9.6243   7.8527   7.6027   20.200   10.371  -6.4933   11.178   50.612   14.422   27.594   12.749 23.01822 19.24861 
1 1 1   -4   18   57 o   47.185   10.227   16.363   7.5704   8.6490   10.173   25.937   11.334   37.316   14.326   57.054   14.599 -19.73817 20.45402 
1 1 1   -4   18   58 o   42.815   14.616   13.911   10.178   13.911   10.178   0.0000   0.0000   42.815   14.616  ?   ?       ?      ? 
1 1 1   -4   18   59 o   43.690   14.477   14.796   9.9899   14.796   9.9899   0.0000   0.0000   43.690   14.477  ?   ?       ?      ? 
1 1 1   -4   18   60 o   72.591   15.267   42.690   14.542   42.690   14.542   0.0000   0.0000   72.591   15.267  ?   ?       ?      ? 
1 1 1   -4   18   61 o   64.913   16.299   35.333   14.317   35.333   14.317   0.0000   0.0000   64.913   16.299  ?   ?       ?      ? 
1 1 1   -4   18   62 o   38.136   10.902   8.1345   8.7982   11.241   12.508   5.0929   12.378   40.623   15.807   35.649   15.019 4.974297 21.80384 
1 1 1   -4   18   63 o   43.612   10.964   13.339   8.8027   3.9855   12.190   23.529   12.724   34.573   14.749   52.652   16.227 -18.07886 21.92818 
1 1 1   -4   18   64 o   57.987   11.327   28.730   9.4470   36.427   13.457   21.251   13.265   66.103   15.322   49.872   16.688 16.23133 22.65476 
1 1 1   -4   18   65 o   92.260   8.9455   65.933   11.107   57.746   15.628   74.288   15.789   85.710   13.455   98.810   11.791 -13.09966 17.89092 
1 1 1   -4   18   66 o   46.550   11.380   18.199   8.8774   13.825   12.413   22.778   12.701   42.077   15.904   51.023   16.282 -8.946075 22.76067 
1 1 1   -4   18   67 o   42.188   10.972   12.988   8.7710   4.6118   12.079   22.332   12.757   34.210   14.640   50.166   16.348 -15.95551 21.94453 
1 1 1   -4   18   68 o   43.857   16.299   16.381   12.926   0.0000   0.0000   16.381   12.926  ?   ?    43.857   16.299      ?      ? 
1 1 1   -4   18   69 o   32.847   14.420   2.9590   12.343   0.0000   0.0000   2.9590   12.343  ?   ?    32.847   14.420      ?      ? 
1 1 1   -4   18   70 o   55.221   11.870   28.912   9.6572   26.628   13.161   31.575   14.214   53.067   16.528   57.376   17.041 -4.308395 23.73952 
1 1 1   -4   18   71 o   50.764   11.955   25.263   9.6710   22.410   13.480   28.287   13.882   47.955   16.799   53.573   17.015 -5.617638 23.91055 
1 1 1   -4   18   72 o   62.549   11.885   38.041   10.394   30.799   14.075   46.728   15.416   55.215   17.075   69.882   16.537 -14.66699 23.77009 
1 1 1   -4   18   73 o   56.985   11.654   32.385   10.043   21.214   13.685   45.421   14.784   45.364   16.789   68.605   16.167 -23.24053 23.30749 
1 1 1   -4   18   74 o   49.937   10.935   23.098   9.6261   6.4739   12.958   43.569   14.379   33.543   14.749   66.332   16.148 -32.78902 21.87009 
1 1 1   -4   19    1 o  119.336   5.9979   97.308   9.5951   97.178   12.673   97.483   14.688  119.317   7.8380  119.354   9.0810 -0.3694916E-01 11.99572 
1 1 1   -4   19    2 o  170.270   5.4583  199.263   12.503  217.546   17.259  179.072   18.137  178.638   7.1296  161.903   8.2668 16.73448 10.91658 
1 1 1   -4   19    3 o  115.522   7.4520   90.469   11.469   97.850   18.234   85.637   14.752  119.260   11.282  111.785   9.7386 7.474541 14.90403 
1 1 1   -4   19    4 o  101.731   7.9023   68.782   10.675   83.664   17.352   59.721   13.539  110.225   11.617   93.238   10.716 16.98689 15.80459 
1 1 1   -4   19    5 o  138.193   7.3622  137.739   13.052  104.067   20.397  161.085   16.984  122.817   12.255  153.569   8.1614 -30.75181 14.72430 
1 1 1   -4   19    6 o  100.114   8.4051   73.773   10.099   80.709   12.149   58.260   18.170  108.690   8.2484   91.538   14.648 17.15166 16.81028 
1 1 1   -4   19    7 o   59.020   10.977   24.772   8.2086   24.693   9.5930   24.990   15.862   58.746   12.438   59.295   18.091 -0.5486946 21.95392 
1 1 1   -4   19    8 o   66.325   10.152   35.027   8.3302   40.678   9.9030   21.353   15.404   77.055   9.4839   55.595   17.952 21.46006 20.30316 
1 1 1   -4   19    9 o   57.926   11.028   23.215   8.1494   22.123   9.5480   26.142   15.640   55.486   12.937   60.367   17.863 -4.880840 22.05512 
1 1 1   -4   19   10 o  103.510   7.5234   72.044   9.8375   69.374   11.827   78.035   17.720  100.711   8.6662  106.309   12.301 -5.597244 15.04682 
1 1 1   -4   19   11 o   94.425   8.0492   62.764   9.4791   65.094   11.493   57.807   16.764   97.546   8.6942   91.304   13.549 6.242188 16.09849 
1 1 1   -4   19   12 o  170.161   6.3336  197.446   13.585  196.111   16.414  200.351   24.206  169.569   7.1430  170.753   10.461 -1.183716 12.66720 
1 1 1   -4   19   13 o  112.823   7.0823   78.384   10.090   64.339   11.914  114.015   18.977   96.923   9.0709  128.723   10.879 -31.79993 14.16450 
1 1 1   -4   19   14 o   54.557   10.963   19.247   7.9409   15.648   9.4340   27.995   14.708   47.039   13.861   62.075   16.990 -15.03630 21.92640 
1 1 1   -4   19   15 o   80.754   9.7912   44.762   10.715   44.762   10.715   0.0000   0.0000   80.754   9.7912  ?   ?       ?      ? 
1 1 1   -4   19   16 o  143.518   7.3280  140.602   14.252  140.602   14.252   0.0000   0.0000  143.518   7.3280  ?   ?       ?      ? 
1 1 1   -4   19   17 o   40.752   10.681   2.9916   7.7233  -3.5570   9.0482   20.570   14.825   27.054   12.085   54.450   17.614 -27.39626 21.36129 
1 1 1   -4   19   18 o  101.184   7.8670   74.169   9.8102   80.380   11.962   61.411   17.144  108.396   8.1435   93.973   13.463 14.42362 15.73406 
1 1 1   -4   19   19 o   49.937   10.558   18.617   8.0271   23.663   9.7372   7.9159   14.181   57.310   12.855   42.565   16.752 14.74462 21.11573 
1 1 1   -4   19   20 o  127.246   6.8992  111.908   11.014  112.941   13.311  109.666   19.610  128.535   7.6422  125.957   11.489 2.577530 13.79840 
1 1 1   -4   19   21 o  115.114   7.2119   93.519   10.452   97.880   12.805   84.814   18.090  119.605   7.9002  110.622   12.068 8.983345 14.42373 
1 1 1   -4   19   22 o   93.940   7.6992   57.620   9.3360   50.839   11.325   72.001   16.492   85.966   9.7216  101.915   11.941 -15.94970 15.39836 
1 1 1   -4   19   23 o   80.940   9.0453   47.948   8.9419   51.353   11.035   41.438   15.260   86.419   9.4226   75.461   15.443 10.95869 18.09067 
1 1 1   -4   19   24 o   64.140   10.160   26.671   8.3838   18.437   10.221   43.608   14.658   50.570   14.285   77.710   14.451 -27.14016 20.31959 
1 1 1   -4   19   25 o  175.696   6.2448  206.018   14.054  194.419   17.056  230.553   24.806  168.556   7.4670  182.836   10.012 -14.28006 12.48955 
1 1 1   -4   19   26 o  149.945   6.4915  148.351   12.559  135.309   15.281  175.490   22.043  140.481   8.0272  159.409   10.204 -18.92798 12.98303 
1 1 1   -4   19   27 o  131.519   6.6823  115.309   11.445  106.027   14.104  133.207   19.586  124.260   8.3759  138.778   10.414 -14.51765 13.36468 
1 1 1   -4   19   28 o   88.965   8.2591   53.972   9.6607   50.723   12.113   59.652   16.014   85.597   10.443   92.334   12.798 -6.737129 16.51811 
1 1 1   -4   19   29 o   99.356   7.7744   68.065   10.025   66.844   12.455   70.313   16.895   98.438   9.3367  100.274   12.434 -1.836189 15.54884 
1 1 1   -4   19   30 o  105.161   10.670   85.900   13.490   50.451   20.193  114.476   18.130   81.836   18.627  128.485   10.413 -46.64941 21.33951 
1 1 1   -4   19   31 o  116.314   7.1741   87.381   10.914   66.805   13.553  125.345   18.409   98.154   10.189  134.475   10.102 -36.32079 14.34819 
1 1 1   -4   19   32 o   51.760   10.053   20.564   7.0972   23.097   8.4388   14.444   13.118   56.583   11.400   46.936   16.562 9.646454 20.10564 
1 1 1   -4   19   33 o   47.320   9.7992   17.241   6.7990   20.801   8.0768   8.5838   12.595   53.588   11.469   41.052   15.893 12.53626 19.59846 
1 1 1   -4   19   34 o  103.932   6.5599   69.239   8.3777   62.425   9.7522   88.427   16.366   95.286   7.5526  112.578   10.728 -17.29274 13.11972 
1 1 1   -4   19   35 o   53.776   9.8439   18.344   6.8259   13.281   8.0742   31.026   12.779   42.978   12.861   64.573   14.906 -21.59494 19.68779 
1 1 1   -4   19   36 o  169.356   5.8419  191.035   11.748  183.781   13.542  213.095   23.616  163.826   6.0999  174.885   9.9650 -11.05864 11.68376 
1 1 1   -4   19   37 o   48.160   11.501   16.325   8.9227   17.397   12.330   15.147   12.928   49.192   16.073   47.127   16.455 2.064529 23.00239 
1 1 1   -4   19   38 o   44.258   12.602   14.320   7.9220   14.320   7.9220   0.0000   0.0000   44.258   12.602  ?   ?       ?      ? 
1 1 1   -4   19   39 f  130.910   6.3558  117.675   11.275  117.675   11.275   0.0000   0.0000  130.910   6.3558  ?   ?       ?      ? 
1 1 1   -4   19   40 o   80.335   9.1215   55.650   8.0055   67.356   9.6293   29.455   14.405   98.813   7.1912   61.856   16.766 36.95718 18.24302 
1 1 1   -4   19   41 o   49.018   10.009   17.198   6.6228   15.917   7.9485   20.106   11.977   46.350   12.408   51.686   15.709 -5.335468 20.01857 
1 1 1   -4   19   42 o   30.914   9.1718   1.5024   6.0926  -0.1110   7.3730   4.9758   10.818   26.330   11.355   35.498   14.406 -9.167917 18.34354 
1 1 1   -4   19   43 o   60.990   9.1698   29.396   6.9757   32.833   8.4350   21.960   12.408   68.458   9.0924   53.522   15.927 14.93544 18.33957 
1 1 1   -4   19   44 o   59.610   9.1547   24.139   6.7852   19.464   8.1099   35.048   12.388   51.104   11.928   68.116   13.891 -17.01275 18.30945 
1 1 1   -4   19   45 o   39.717   9.8481   10.851   6.3742   11.563   7.7865   9.4043   11.099   39.926   12.750   39.508   15.013 0.4177742 19.69611 
1 1 1   -4   19   46 o   60.133   9.2452   29.068   6.9994   32.718   8.4583   21.138   12.467   68.120   9.1628   52.147   16.060 15.97289 18.49042 
1 1 1   -4   19   47 o   85.555   6.9956   49.180   7.6467   43.923   9.1889   61.019   13.790   79.042   8.5788   92.069   11.052 -13.02692 13.99117 
1 1 1   -4   19   48 o   49.391   10.488   18.956   7.8479   24.327   10.805   12.959   11.418   55.923   14.224   42.859   15.415 13.06385 20.97547 
1 1 1   -4   19   49 o   38.531   10.315   8.9247   7.4497   5.8005   10.101   12.651   11.031   34.837   13.997   42.226   15.156 -7.389339 20.63041 
1 1 1   -4   19   50 f   36.743   10.230   7.4908   7.4568   7.3057   10.074   7.7151   11.090   36.111   14.148   37.375   14.781 -1.264366 20.46074 
1 1 1   -4   19   51 o   53.494   10.370   23.001   7.8501   26.653   10.621   18.604   11.654   58.443   13.657   48.545   15.608 9.897217 20.73931 
1 1 1   -4   19   52 o   61.299   9.8736   29.000   7.9895   24.487   10.574   35.006   12.197   55.684   14.021   66.913   13.905 -11.22875 19.74722 
1 1 1   -4   19   53 o   39.541   10.231   10.422   7.2024   7.0387   9.6275   14.722   10.854   35.194   13.818   43.888   15.091 -8.694031 20.46153 
1 1 1   -4   19   54 o   57.622   13.387   26.094   10.254   26.094   10.254   0.0000   0.0000   57.622   13.387  ?   ?       ?      ? 
1 1 1   -4   19   55 o   27.967   12.987  -6.9676   11.818  -6.9676   11.818   0.0000   0.0000   27.967   12.987  ?   ?       ?      ? 
1 1 1   -4   19   56 o   29.098   13.369  -5.1859   12.052  -5.1859   12.052   0.0000   0.0000   29.098   13.369  ?   ?       ?      ? 
1 1 1   -4   19   57 o   39.587   15.535   10.225   12.161   10.225   12.161   0.0000   0.0000   39.587   15.535  ?   ?       ?      ? 
1 1 1   -4   19   58 o   33.949   13.437   6.5771   9.1725   6.5771   9.1725   0.0000   0.0000   33.949   13.437  ?   ?       ?      ? 
1 1 1   -4   19   59 o   27.725   12.288  -0.7706   9.1689  -0.7706   9.1689   0.0000   0.0000   27.725   12.288  ?   ?       ?      ? 
1 1 1   -4   19   60 o   40.633   14.047   12.856   9.4113   12.856   9.4113   0.0000   0.0000   40.633   14.047  ?   ?       ?      ? 
1 1 1   -4   19   61 o   54.964   13.551   24.637   10.030   24.637   10.030   0.0000   0.0000   54.964   13.551  ?   ?       ?      ? 
1 1 1   -4   19   62 o   31.427   13.101   4.2269   9.2677   4.2269   9.2677   0.0000   0.0000   31.427   13.101  ?   ?       ?      ? 
1 1 1   -4   19   63 o   47.435   14.100   18.934   9.7285   18.934   9.7285   0.0000   0.0000   47.435   14.100  ?   ?       ?      ? 
1 1 1   -4   19   64 o   44.367   17.249   16.838   14.887   16.838   14.887   0.0000   0.0000   44.367   17.249  ?   ?       ?      ? 
1 1 1   -4   19   65 o   30.629   13.970  -1.6928   12.847  -1.6928   12.847   0.0000   0.0000   30.629   13.970  ?   ?       ?      ? 
1 1 1   -4   19   66 o   51.905   16.709   25.694   13.353   25.694   13.353   0.0000   0.0000   51.905   16.709  ?   ?       ?      ? 
1 1 1   -4   19   67 o   45.080   16.345   19.190   12.871   19.190   12.871   0.0000   0.0000   45.080   16.345  ?   ?       ?      ? 
1 1 1   -4   19   68 o   30.705   9.7280   0.3470   8.5761  -6.1241   12.045   7.0008   12.214   26.980   12.714   34.429   14.727 -7.449106 19.45591 
1 1 1   -4   19   69 o   46.145   11.062   19.112   9.3847   5.5671   12.864   34.521   13.721   33.470   14.707   58.820   16.529 -25.35081 22.12427 
1 1 1   -4   19   70 o   36.203   10.590   10.038   8.7478   16.141   12.377   3.9468   12.366   40.645   15.749   31.761   14.162 8.884296 21.18024 
1 1 1   -4   20    1 o  130.237   5.7686  116.312   10.085  116.197   13.379  116.463   15.349  130.270   7.5788  130.204   8.6988 0.6671143E-01 11.53722 
1 1 1   -4   20    2 o   53.419   9.9520   20.044   7.2800   15.944   9.4829   25.927   11.361   47.222   13.891   59.615   14.255 -12.39361 19.90407 
1 1 1   -4   20    3 o  118.148   6.1691   98.173   9.6250  117.462   13.226   76.456   14.034  131.001   7.4502  105.296   9.8350 25.70489 12.33826 
1 1 1   -4   20    4 o   73.828   8.3860   37.155   7.9992   27.247   10.405   51.475   12.509   61.399   12.914   86.258   10.701 -24.85843 16.77205 
1 1 1   -4   20    5 o   59.250   9.2741   26.531   7.4831   35.098   9.9478   15.363   11.357   71.279   10.299   47.221   15.426 24.05787 18.54811 
1 1 1   -4   20    6 o   76.677   8.5963   43.408   8.3012   51.915   11.019   32.246   12.623   86.829   9.3650   66.525   14.418 20.30472 17.19253 
1 1 1   -4   20    7 o  242.337   6.7257  399.358   19.833  392.733   23.301  416.780   37.784  239.604   7.1762  245.070   11.377 -5.466263 13.45131 
1 1 1   -4   20    8 o   40.352   11.242   7.8928   8.2692   10.142   9.3369  -0.2877   17.807   39.969   13.982   40.734   17.607 -0.7642937 22.48325 
1 1 1   -4   20    9 o   43.582   11.706   7.3530   8.2017   4.2757   9.2650   18.499   17.633   33.650   13.445   53.514   19.166 -19.86345 23.41226 
1 1 1   -4   20   10 o  128.594   5.9678  112.522   10.320  105.542   13.623  121.923   15.810  124.025   8.1053  133.163   8.7614 -9.138298 11.93554 
1 1 1   -4   20   11 o  127.995   5.9350  112.788   10.225  114.955   13.767  110.122   15.270  129.479   7.8459  126.512   8.9071 2.966911 11.86991 
1 1 1   -4   20   12 o   32.164   9.9326  -0.4753   6.8861  -0.5936   7.7840  -0.0494   14.769   26.975   11.650   37.353   16.090 -10.37776 19.86520 
1 1 1   -4   20   13 o  118.776   7.3858  104.215   9.7272  109.927   11.148   85.991   19.912  126.838   6.4858  110.714   13.272 16.12404 14.77167 
1 1 1   -4   20   14 o  185.171   6.1875  243.761   13.219  251.520   15.286  220.751   26.323  191.992   5.8754  178.350   10.891 13.64166 12.37500 
1 1 1   -4   20   15 o   98.471   7.8396   68.988   8.6958   70.388   9.9283   64.377   18.020  101.374   7.2271   95.568   13.914 5.805862 15.67926 
1 1 1   -4   20   16 o   45.239   9.5233   16.082   7.1304   22.430   8.1532  -4.5684   14.705   55.875   11.158   34.603   15.436 21.27147 19.04668 
1 1 1   -4   20   17 o  183.296   6.0459  228.688   12.879  226.276   14.776  236.312   26.270  182.036   5.9898  184.555   10.504 -2.518860 12.09172 
1 1 1   -4   20   18 o  101.011   7.1897   67.773   8.6495   64.718   9.9736   77.045   17.373   97.114   7.5785  104.908   12.220 -7.794090 14.37937 
1 1 1   -4   20   19 o   50.031   10.358   14.446   6.8639   9.8264   7.9261   28.301   13.726   38.376   12.899   61.686   16.209 -23.31062 20.71508 
1 1 1   -4   20   20 o   86.605   7.5048   41.330   7.7775   29.974   8.8320   80.552   16.413   65.761   9.9108  107.450   11.272 -41.68936 15.00955 
1 1 1   -4   20   21 o  144.611   6.2451  143.505   10.528  142.690   12.114  146.020   21.284  144.454   6.1886  144.768   10.849 -0.3136292 12.49021 
1 1 1   -4   20   22 o   68.070   9.0055   30.582   7.2563   27.608   8.3895   39.415   14.458   63.085   9.8136   73.055   15.103 -9.969727 18.01110 
1 1 1   -4   20   23 o   39.852   8.7703   11.231   6.5694   18.854   7.5381 -12.8426   13.396   51.002   11.212   28.703   13.489 22.29966 17.54050 
1 1 1   -4   20   24 o   75.714   8.8543   43.385   7.5348   45.909   8.7920   36.404   14.622   81.638   7.9472   69.791   15.825 11.84697 17.70855 
1 1 1   -4   20   25 o   77.464   9.3012   44.308   9.0521   47.406   11.447   39.136   14.789   82.476   10.242   72.452   15.529 10.02393 18.60247 
1 1 1   -4   20   26 o   64.801   9.7204   27.455   8.4635   15.444   10.574   48.876   14.120   46.491   14.858   83.111   12.537 -36.62026 19.44088 
1 1 1   -4   20   27 o   89.026   7.7827   57.111   8.0862   58.755   9.4063   52.455   15.829   92.362   7.5152   85.690   13.631 6.671097 15.56549 
1 1 1   -4   20   28 o   57.763   9.5461   26.247   6.9645   29.159   8.1906   18.645   13.233   64.752   9.3343   50.774   16.655 13.97773 19.09229 
1 1 1   -4   20   29 o  106.896   6.7254   75.483   8.5643   71.228   9.8564   88.594   17.303  101.714   7.1508  112.078   11.393 -10.36422 13.45078 
1 1 1   -4   20   30 f   87.562   7.4163   53.370   7.8140   52.837   9.1428   54.812   15.050   87.458   7.7143   87.667   12.669 -0.2082748 14.83251 
1 1 1   -4   20   31 o   55.821   9.8916   23.216   6.9186   23.366   8.1163   22.817   13.233   56.711   10.958   54.930   16.471 1.780647 19.78313 
1 1 1   -4   20   32 o   57.765   10.967   26.066   9.1622   33.876   12.238   16.106   13.821   67.392   13.863   48.139   16.998 19.25329 21.93403 
1 1 1   -4   20   33 o   36.958   12.682   9.2069   7.6637   9.2069   7.6637   0.0000   0.0000   36.958   12.682  ?   ?       ?      ? 
1 1 1   -4   20   34 o   79.714   8.1962   44.173   8.8538   44.173   8.8538   0.0000   0.0000   79.714   8.1962  ?   ?       ?      ? 
1 1 1   -4   20   35 o   62.932   9.5030   28.361   7.1342   27.321   8.2731   31.376   14.090   62.304   9.7987   63.559   16.285 -1.255672 19.00606 
1 1 1   -4   20   36 o   53.463   9.3779   22.483   6.6659   25.185   7.9771   16.230   12.135   59.756   9.8510   47.169   15.960 12.58693 18.75573 
1 1 1   -4   20   37 o   40.403   10.181   10.117   6.3597   8.8226   7.3927   13.802   12.474   36.069   12.451   44.738   16.110 -8.668255 20.36125 
1 1 1   -4   20   38 o   51.477   9.8698   18.941   6.5438   17.030   7.7281   23.782   12.301   47.686   11.976   55.267   15.692 -7.581245 19.73950 
1 1 1   -4   20   39 f   35.783   9.5081   7.8633   6.2241   10.308   7.3356   1.5804   11.761   37.940   12.398   33.626   14.419 4.313297 19.01626 
1 1 1   -4   20   40 f   60.657   9.4008   28.229   6.8368   28.997   7.9489   26.045   13.402   64.073   9.1547   57.240   16.422 6.833061 18.80158 
1 1 1   -4   20   41 o   63.435   9.2039   27.063   6.9903   22.490   8.1329   39.996   13.676   54.925   11.304   71.944   14.528 -17.01864 18.40772 
1 1 1   -4   20   42 o   45.691   10.091   14.331   6.4170   11.703   7.5729   21.025   12.084   39.767   12.560   51.614   15.798 -11.84733 20.18292 
1 1 1   -4   20   43 f   34.718   9.5248   5.3715   6.0186   2.6853   7.1941   11.636   10.986   28.326   11.651   41.110   15.071 -12.78367 19.04963 
1 1 1   -4   20   44 o   46.462   10.658   16.557   7.6168   15.373   10.090   18.125   11.613   44.808   14.535   48.116   15.593 -3.308285 21.31672 
1 1 1   -4   20   45 o   77.891   9.3298   48.915   9.0424   63.662   12.170   30.738   13.511   94.308   9.5224   61.473   16.047 32.83483 18.65954 
1 1 1   -4   20   46 o   46.917   10.673   17.355   7.7157   18.499   10.306   15.895   11.638   48.380   14.543   45.454   15.627 2.925842 21.34663 
1 1 1   -4   20   47 o   37.615   10.092   6.9613   7.3072   0.9158   9.4135   16.126   11.591   29.657   12.810   45.573   15.597 -15.91521 20.18366 
1 1 1   -4   20   48 o   44.490   10.578   15.160   7.4432   13.927   9.6823   16.941   11.638   42.638   14.257   46.341   15.630 -3.703796 21.15595 
1 1 1   -4   20   49 o   41.638   11.109   12.163   8.6834   8.3994   13.102   15.110   11.596   38.999   15.845   44.276   15.576 -5.276867 22.21881 
1 1 1   -4   20   50 o   41.412   16.305   11.300   13.439   11.300   13.439   0.0000   0.0000   41.412   16.305  ?   ?       ?      ? 
1 1 1   -4   20   51 o   41.486   16.157   11.766   13.078   11.766   13.078   0.0000   0.0000   41.486   16.157  ?   ?       ?      ? 
1 1 1   -4   20   52 o   35.732   13.646   8.2687   9.1979   8.2687   9.1979   0.0000   0.0000   35.732   13.646  ?   ?       ?      ? 
1 1 1   -4   20   53 o   55.821   13.251   24.849   9.8734   24.849   9.8734   0.0000   0.0000   55.821   13.251  ?   ?       ?      ? 
1 1 1   -4   20   54 o   57.838   13.025   26.611   9.9628   26.611   9.9628   0.0000   0.0000   57.838   13.025  ?   ?       ?      ? 
1 1 1   -4   20   55 o   25.694   11.631  -2.6445   8.6955  -2.6445   8.6955   0.0000   0.0000   25.694   11.631  ?   ?       ?      ? 
1 1 1   -4   20   56 o   48.255   13.988   19.203   9.6787   19.203   9.6787   0.0000   0.0000   48.255   13.988  ?   ?       ?      ? 
1 1 1   -4   20   57 o   49.938   13.866   20.686   9.7169   20.686   9.7169   0.0000   0.0000   49.938   13.866  ?   ?       ?      ? 
1 1 1   -4   20   58 o   28.393   12.314   1.3552   8.7701   1.3552   8.7701   0.0000   0.0000   28.393   12.314  ?   ?       ?      ? 
1 1 1   -4   20   59 o   33.711   14.892   2.5076   13.356   2.5076   13.356   0.0000   0.0000   33.711   14.892  ?   ?       ?      ? 
1 1 1   -4   20   60 o   45.039   17.224   18.061   14.667   18.061   14.667   0.0000   0.0000   45.039   17.224  ?   ?       ?      ? 
1 1 1   -4   20   61 f   54.762   17.326   29.005   14.404   29.005   14.404   0.0000   0.0000   54.762   17.326  ?   ?       ?      ? 
1 1 1   -4   20   62 o   30.129   12.758   3.9526   9.0054   3.9526   9.0054   0.0000   0.0000   30.129   12.758  ?   ?       ?      ? 
1 1 1   -4   20   63 o   29.726   12.541   4.1194   8.6493   4.1194   8.6493   0.0000   0.0000   29.726   12.541  ?   ?       ?      ? 
1 1 1   -4   20   64 o   32.007   13.037   6.7121   8.8983   6.7121   8.8983   0.0000   0.0000   32.007   13.037  ?   ?       ?      ? 
1 1 1   -4   20   65 o   36.966   13.561   11.829   8.8974   11.829   8.8974   0.0000   0.0000   36.966   13.561  ?   ?       ?      ? 
1 1 1   -4   20   66 o   27.963   12.167   2.8714   8.6176   2.8714   8.6176   0.0000   0.0000   27.963   12.167  ?   ?       ?      ? 
1 1 1   -4   21    1 o  108.773   9.9321   82.429   14.640   0.0000   0.0000   82.429   14.640  ?   ?   108.773   9.9321      ?      ? 
1 1 1   -4   21    2 o   88.493   16.244   58.456   18.762   0.0000   0.0000   58.456   18.762  ?   ?    88.493   16.244      ?      ? 
1 1 1   -4   21    3 f  112.839   7.3014   90.180   10.937   81.144   16.709   96.953   14.467  107.429   11.478  118.250   9.0278 -10.82090 14.60276 
1 1 1   -4   21    4 o   70.991   8.3131   36.004   7.7069   36.162   10.142   35.787   11.856   71.948   10.402   70.033   12.970 1.915154 16.62626 
1 1 1   -4   21    5 o   30.699   9.1707   0.1928   6.4618  -2.8036   8.2114   5.0664   10.472   25.843   11.531   35.555   14.263 -9.712152 18.34131 
1 1 1   -4   21    6 o   43.773   9.6628   11.416   6.8226   3.7855   8.8393   22.660   10.731   32.337   13.058   55.209   14.247 -22.87193 19.32560 
1 1 1   -4   21    7 o  113.492   6.0009   89.307   9.1364   90.635   12.151   87.578   13.859  114.641   7.8214  112.343   9.1032 2.297783 12.00173 
1 1 1   -4   21    8 o   86.048   7.0513   52.506   8.0459   57.281   10.680   46.239   12.235   90.949   8.6652   81.148   11.126 9.800346 14.10267 
1 1 1   -4   21    9 o  116.146   5.9272   92.402   9.2744   85.238   12.327  101.745   14.078  111.063   8.1907  121.229   8.5696 -10.16672 11.85435 
1 1 1   -4   21   10 o   73.497   8.0417   37.618   7.7506   31.312   10.174   46.341   11.965   65.719   11.860   81.276   10.864 -15.55761 16.08344 
1 1 1   -4   21   11 o   56.276   10.353   20.280   7.6856   13.696   9.1972   35.521   13.993   43.772   13.844   68.780   15.396 -25.00788 20.70507 
1 1 1   -4   21   12 o   45.790   8.8724   17.094   6.6964   23.736   7.6819  -3.9264   13.665   58.347   9.7156   33.234   14.849 25.11261 17.74482 
1 1 1   -4   21   13 o  137.983   6.6884  141.211   10.318  149.135   11.871  116.746   20.860  147.549   5.9371  128.416   11.987 19.13326 13.37683 
1 1 1   -4   21   14 o   53.188   10.018   21.925   6.6708   23.314   7.5492   16.973   14.249   56.959   10.153   49.417   17.273 7.541840 20.03613 
1 1 1   -4   21   15 o   39.969   10.281   8.9610   6.2588   7.7891   7.0996   13.048   13.259   34.769   12.191   45.169   16.558 -10.39999 20.56114 
1 1 1   -4   21   16 o   53.343   10.122   18.124   6.4598   15.334   7.2836   28.406   13.983   45.698   11.709   60.988   16.513 -15.28986 20.24319 
1 1 1   -4   21   17 o   83.138   7.9419   46.964   7.5999   45.348   8.6454   52.459   15.943   80.969   7.8792   85.306   13.792 -4.336700 15.88375 
1 1 1   -4   21   18 o   62.129   10.609   27.014   8.3686   22.754   10.076   36.486   15.025   55.195   13.567   69.062   16.314 -13.86682 21.21838 
1 1 1   -4   21   19 o   44.696   10.984   13.282   7.7407   12.231   9.3888   15.512   13.678   41.855   14.039   47.537   16.896 -5.682442 21.96792 
1 1 1   -4   21   20 o   41.751   10.816   11.077   7.7822   11.597   9.6221   10.093   13.233   41.199   14.206   42.302   16.314 -1.102764 21.63224 
1 1 1   -4   21   21 o  107.218   6.9960   82.105   8.6602   83.512   9.9906   77.854   17.369  110.112   6.6954  104.325   12.286 5.786804 13.99201 
1 1 1   -4   21   22 o   66.094   8.9234   29.444   6.9034   26.848   7.9378   37.503   13.986   61.906   9.4621   70.283   15.132 -8.377472 17.84672 
1 1 1   -4   21   23 o   51.552   10.088   19.303   6.6552   18.646   7.7173   21.212   13.146   50.237   11.574   52.866   16.527 -2.629681 20.17661 
1 1 1   -4   21   24 o   41.912   9.3277   13.519   6.4854   18.379   7.5818   0.2646   12.521   49.867   11.460   33.956   14.720 15.91112 18.65530 
1 1 1   -4   21   25 o   69.930   8.8118   34.274   7.1729   32.617   8.2990   39.167   14.261   68.256   8.9723   71.604   15.169 -3.348549 17.62370 
1 1 1   -4   21   26 o   46.125   11.469   15.014   8.9203   13.200   12.611   16.831   12.619   44.321   16.163   47.930   16.275 -3.608643 22.93730 
1 1 1   -4   21   27 o   61.167   10.305   31.433   8.5214   37.822   10.281   17.407   15.232   73.000   10.393   49.333   17.798 23.66637 20.60973 
1 1 1   -4   21   28 o   83.813   7.8878   48.942   8.9588   48.942   8.9588   0.0000   0.0000   83.813   7.8878  ?   ?       ?      ? 
1 1 1   -4   21   29 f   37.914   12.553   10.201   7.5112   10.201   7.5112   0.0000   0.0000   37.914   12.553  ?   ?       ?      ? 
1 1 1   -4   21   30 o   64.625   9.3444   30.400   7.0560   29.568   8.1360   32.925   14.172   64.719   9.2768   64.531   16.224 0.1876602 18.68883 
1 1 1   -4   21   31 o   45.222   8.8904   17.354   6.6659   24.525   7.8059  -1.9606   12.810   57.888   10.330   32.556   14.473 25.33173 17.78080 
1 1 1   -4   21   32 o   34.864   9.3162   7.2228   6.2488   10.820   7.2897  -2.7447   12.135   38.534   12.340   31.194   13.961 7.339861 18.63246 
1 1 1   -4   21   33 o   49.481   10.060   16.159   6.4759   12.462   7.5119   26.858   12.779   40.866   12.445   58.096   15.810 -17.22999 20.12069 
1 1 1   -4   21   34 o   39.365   9.9315   6.8956   6.2621   2.3689   7.2530   20.150   12.411   28.130   11.647   50.601   16.090 -22.47130 19.86294 
1 1 1   -4   21   35 o   69.196   8.8758   32.797   7.3076   29.121   8.4745   43.454   14.431   63.815   9.7997   74.578   14.802 -10.76331 17.75163 
1 1 1   -4   21   36 f   98.091   7.0457   64.826   8.2759   60.320   9.5396   78.534   16.639   92.775   7.5878  103.406   11.874 -10.63022 14.09132 
1 1 1   -4   21   37 o   24.273   7.9931  -5.3943   6.0228  -1.8949   6.9467 -15.9878   12.087   23.761   10.604   24.785   11.963 -1.024837 15.98624 
1 1 1   -4   21   38 o   51.968   10.468   18.129   7.5216   11.459   9.0131   33.429   13.651   39.696   13.746   64.240   15.792 -24.54365 20.93670 
1 1 1   -4   21   39 o   78.733   10.779   49.446   11.056   47.784   16.175   50.903   15.147   76.828   16.053   80.637   14.389 -3.809456 21.55808 
1 1 1   -4   21   40 o   48.482   11.518   18.623   9.5284   9.4129   14.385   25.823   12.719   40.875   16.604   56.090   15.967 -15.21460 23.03556 
1 1 1   -4   21   41 f   42.472   11.408   12.667   9.0469   10.992   13.968   13.878   11.874   41.715   16.559   43.229   15.696 -1.513756 22.81599 
1 1 1   -4   21   42 o   32.065   9.9966   0.1584   8.3632  -1.3397   13.255   1.1491   10.779   32.700   14.616   31.429   13.642 1.271488 19.99328 
1 1 1   -4   21   43 o   41.919   10.307   12.244   7.3488   6.9262   9.7106   19.373   11.243   34.975   13.831   48.862   15.285 -13.88729 20.61410 
1 1 1   -4   21   44 o   24.006   7.9402  -7.7980   6.5575  -3.2415   9.0622 -12.8062   9.5007   26.084   11.834   21.929   10.590 4.155704 15.88035 
1 1 1   -4   21   45 o   30.897   8.8258  -1.6636   7.0737   12.244   9.5983 -18.1970   10.465   40.347   14.173   21.446   10.522 18.90100 17.65167 
1 1 1   -4   21   46 o   30.792   12.969   3.0079   9.2250   3.0079   9.2250   0.0000   0.0000   30.792   12.969  ?   ?       ?      ? 
1 1 1   -4   21   47 o   31.099   12.910   3.8041   8.9463   3.8041   8.9463   0.0000   0.0000   31.099   12.910  ?   ?       ?      ? 
1 1 1   -4   21   48 o   25.508   11.502  -2.3601   8.4085  -2.3601   8.4085   0.0000   0.0000   25.508   11.502  ?   ?       ?      ? 
1 1 1   -4   21   49 o   69.993   10.584   36.400   10.039   36.400   10.039   0.0000   0.0000   69.993   10.584  ?   ?       ?      ? 
1 1 1   -4   21   50 o   34.146   13.413   7.1806   9.0741   7.1806   9.0741   0.0000   0.0000   34.146   13.413  ?   ?       ?      ? 
1 1 1   -4   21   51 o   35.228   13.443   8.4478   8.9231   8.4478   8.9231   0.0000   0.0000   35.228   13.443  ?   ?       ?      ? 
1 1 1   -4   21   52 o   37.380   13.777   10.434   9.1983   10.434   9.1983   0.0000   0.0000   37.380   13.777  ?   ?       ?      ? 
1 1 1   -4   21   53 o   32.684   14.271   2.7084   11.945   2.7084   11.945   0.0000   0.0000   32.684   14.271  ?   ?       ?      ? 
1 1 1   -4   21   54 o   33.565   14.639   3.5543   12.539   3.5543   12.539   0.0000   0.0000   33.565   14.639  ?   ?       ?      ? 
1 1 1   -4   21   55 o   31.584   14.069   1.2046   12.169   1.2046   12.169   0.0000   0.0000   31.584   14.069  ?   ?       ?      ? 
1 1 1   -4   21   56 o   39.884   13.915   13.324   9.2451   13.324   9.2451   0.0000   0.0000   39.884   13.915  ?   ?       ?      ? 
1 1 1   -4   21   57 o   18.946   9.2560 -12.0599   7.8412 -12.0599   7.8412   0.0000   0.0000   18.946   9.2560  ?   ?       ?      ? 
1 1 1   -4   21   58 o   22.266   10.503  -6.0672   8.2588  -6.0672   8.2588   0.0000   0.0000   22.266   10.503  ?   ?       ?      ? 
1 1 1   -4   21   59 o   29.907   12.600   4.5246   8.7129   4.5246   8.7129   0.0000   0.0000   29.907   12.600  ?   ?       ?      ? 
1 1 1   -4   21   60 o   27.488   11.949   2.3477   8.2956   2.3477   8.2956   0.0000   0.0000   27.488   11.949  ?   ?       ?      ? 
1 1 1   -4   21   61 o   49.576   13.462   22.404   9.2775   22.404   9.2775   0.0000   0.0000   49.576   13.462  ?   ?       ?      ? 
1 1 1   -4   22    1 o   35.408   9.4653   6.9498   6.4636   10.646   8.4579   1.7606   10.022   39.091   13.324   31.725   13.448 7.365629 18.93057 
1 1 1   -4   22    2 o   58.560   8.9192   26.514   6.9592   32.569   9.2010   18.419   10.638   67.854   10.006   49.267   14.768 18.58781 17.83844 
1 1 1   -4   22    3 f   40.621   9.9036   11.490   6.5615   11.742   8.5665   11.132   10.206   40.532   13.405   40.710   14.582 -0.1773033 19.80714 
1 1 1   -4   22    4 o   55.144   9.3584   22.232   6.8335   18.405   8.8114   28.008   10.824   49.412   12.988   60.876   13.477 -11.46402 18.71685 
1 1 1   -4   22    5 o   59.876   8.9102   27.090   7.0210   30.122   9.1996   22.860   10.865   65.131   10.423   54.622   14.454 10.50879 17.82041 
1 1 1   -4   22    6 o   60.384   9.0504   28.100   7.1834   32.752   9.3506   21.400   11.221   67.988   10.149   52.780   14.988 15.20815 18.10078 
1 1 1   -4   22    7 o   39.714   10.014   9.7848   6.7530   6.5962   8.6728   14.695   10.762   34.530   13.235   44.898   15.031 -10.36767 20.02767 
1 1 1   -4   22    8 o   85.215   10.967   52.968   12.095   33.602   15.680   81.422   19.006   64.919   17.448  105.511   13.293 -40.59113 21.93472 
1 1 1   -4   22    9 o   79.105   11.307   46.038   11.845   31.948   15.343   66.819   18.634   63.318   17.362   94.892   14.491 -31.57389 22.61469 
1 1 1   -4   22   10 o   72.636   8.2356   36.946   7.6688   25.713   9.9289   53.557   12.074   58.432   12.885   86.839   10.260 -28.40625 16.47123 
1 1 1   -4   22   11 o   43.888   10.766   13.743   7.5358   14.523   9.0474   11.976   13.618   44.164   13.695   43.612   16.616 0.5522270 21.53217 
1 1 1   -4   22   12 o   68.065   10.100   35.624   8.4697   36.728   10.137   33.070   15.416   71.824   10.415   64.306   17.308 7.517448 20.19987 
1 1 1   -4   22   13 o   70.129   9.6440   35.869   8.3021   34.347   9.9223   39.422   15.160   69.388   10.552   70.870   16.145 -1.481590 19.28791 
1 1 1   -4   22   14 o   30.433   9.0949   2.7256   5.7908   4.6993   6.4528  -5.4395   13.125   29.752   11.413   31.113   14.164 -1.360449 18.18990 
1 1 1   -4   22   15 o   65.686   8.9888   27.590   6.5679   24.218   7.3366   41.197   14.738   58.575   9.2428   72.798   15.420 -14.22309 17.97763 
1 1 1   -4   22   16 o   74.164   8.8996   42.372   7.1318   43.814   8.1403   37.613   14.793   79.290   7.5760   69.038   16.107 10.25237 17.79928 
1 1 1   -4   22   17 o  108.257   6.7365   78.156   8.4490   73.859   9.5986   92.942   17.804  103.184   6.8646  113.331   11.593 -10.14710 13.47299 
1 1 1   -4   22   18 o   59.602   8.9358   35.209   7.2061   45.530   8.3422   4.8694   14.303   80.773   7.6213   38.431   16.165 42.34233 17.87167 
1 1 1   -4   22   19 o   31.142   9.3998   1.3521   6.1269   0.2468   7.0555   4.7415   12.355   25.875   11.134   36.409   15.148 -10.53358 18.79952 
1 1 1   -4   22   20 o   49.360   11.195   16.480   9.0807   6.5162   11.912   30.302   14.031   37.318   15.127   61.402   16.506 -24.08352 22.38931 
1 1 1   -4   22   21 o  103.379   11.481   77.632   16.084   77.632   16.084   0.0000   0.0000  103.379   11.481  ?   ?       ?      ? 
1 1 1   -4   22   22 o   61.330   9.9233   26.887   8.2473   26.887   8.2473   0.0000   0.0000   61.330   9.9233  ?   ?       ?      ? 
1 1 1   -4   22   23 o   41.034   12.312   12.649   7.3921   12.649   7.3921   0.0000   0.0000   41.034   12.312  ?   ?       ?      ? 
1 1 1   -4   22   24 o   53.471   9.3298   24.725   6.6902   28.992   7.7583   12.350   13.212   63.938   8.9542   43.004   16.371 20.93346 18.65956 
1 1 1   -4   22   25 o   45.175   10.422   13.769   6.3969   11.928   7.2559   20.194   13.554   39.904   12.246   50.445   16.868 -10.54063 20.84501 
1 1 1   -4   22   26 f   33.154   9.0677   6.0327   6.0786   9.9031   7.0115  -5.6772   12.196   36.903   12.124   29.406   13.487 7.496851 18.13544 
1 1 1   -4   22   27 o   39.748   10.098   11.023   6.3956   11.495   7.3535   9.5555   12.959   39.228   12.376   40.267   15.961 -1.039154 20.19689 
1 1 1   -4   22   28 o   61.507   9.5264   28.104   7.0547   27.001   8.2021   31.237   13.830   61.261   9.8800   61.753   16.291 -0.4918518 19.05270 
1 1 1   -4   22   29 o   32.239   9.4237  -0.7106   6.2471  -5.4531   7.2548   12.892   12.287   21.814   10.144   42.665   15.884 -20.85098 18.84743 
1 1 1   -4   22   30 o   52.924   10.244   18.983   6.7279   15.248   7.6972   31.074   13.849   44.489   12.337   61.360   16.357 -16.87043 20.48776 
1 1 1   -4   22   31 o   35.867   9.8457   7.6486   6.2574   7.8463   7.2298   7.0583   12.493   34.078   12.266   37.656   15.405 -3.577442 19.69146 
1 1 1   -4   22   32 o   32.179   9.2842   4.7596   6.2376   7.1905   7.2509  -2.1601   12.234   33.233   12.235   31.124   13.967 2.108606 18.56831 
1 1 1   -4   22   33 o   32.248   9.4997   3.5663   6.2042   2.6268   7.2486   6.1398   11.998   28.102   11.640   36.394   15.016 -8.292128 18.99935 
1 1 1   -4   22   34 o   37.790   9.5025   3.3791   7.2328  -8.3659   9.2159   22.216   11.671   23.498   11.088   52.082   15.435 -28.58388 19.00493 
1 1 1   -4   22   35 o   49.070   10.372   16.301   7.6412   8.1139   9.4389   31.868   13.016   35.895   13.796   62.245   15.492 -26.34967 20.74435 
1 1 1   -4   22   36 o   38.218   10.294   9.8288   7.3608   11.164   9.3869   7.6965   11.862   39.098   13.986   37.339   15.109 1.759457 20.58893 
1 1 1   -4   22   37 o   44.930   9.4210   15.930   7.5527   26.611   9.6535  -0.9240   12.127   58.378   12.574   31.483   14.033 26.89508 18.84208 
1 1 1   -4   22   38 o   44.051   10.727   14.845   7.5113   13.293   9.3570   17.658   12.596   41.451   14.015   46.652   16.244 -5.201431 21.45461 
1 1 1   -4   22   39 o   29.404   9.0825   0.0900   7.0253   4.2534   8.7942  -7.2532   11.679   31.356   12.887   27.453   12.802 3.902124 18.16508 
1 1 1   -4   22   40 o   28.932   9.1324  -1.7613   6.9979  -4.0898   8.7399   2.3982   11.681   24.931   11.428   32.933   14.247 -8.001495 18.26474 
1 1 1   -4   22   41 o   33.014   13.103   6.1638   8.7433   6.1638   8.7433   0.0000   0.0000   33.014   13.103  ?   ?       ?      ? 
1 1 1   -4   22   42 f   24.072   11.046  -3.9506   8.1922  -3.9506   8.1922   0.0000   0.0000   24.072   11.046  ?   ?       ?      ? 
1 1 1   -4   22   43 f   30.197   12.601   3.5050   8.5865   3.5050   8.5865   0.0000   0.0000   30.197   12.601  ?   ?       ?      ? 
1 1 1   -4   22   44 o   43.500   15.731   15.404   11.910   15.404   11.910   0.0000   0.0000   43.500   15.731  ?   ?       ?      ? 
1 1 1   -4   22   45 o   30.139   13.325   0.4556   10.716   0.4556   10.716   0.0000   0.0000   30.139   13.325  ?   ?       ?      ? 
1 1 1   -4   22   46 o   64.718   15.145   35.841   13.047   35.841   13.047   0.0000   0.0000   64.718   15.145  ?   ?       ?      ? 
1 1 1   -4   22   47 o   44.288   15.808   16.820   11.985   16.820   11.985   0.0000   0.0000   44.288   15.808  ?   ?       ?      ? 
1 1 1   -4   22   48 o   26.828   11.856   0.0697   8.4749   0.0697   8.4749   0.0000   0.0000   26.828   11.856  ?   ?       ?      ? 
1 1 1   -4   22   49 o   20.353   9.7572  -8.6567   7.7288  -8.6567   7.7288   0.0000   0.0000   20.353   9.7572  ?   ?       ?      ? 
1 1 1   -4   22   50 o   37.744   13.526   11.546   8.7831   11.546   8.7831   0.0000   0.0000   37.744   13.526  ?   ?       ?      ? 
1 1 1   -4   22   51 o   34.032   12.977   8.5843   8.3106   8.5843   8.3106   0.0000   0.0000   34.032   12.977  ?   ?       ?      ? 
1 1 1   -4   22   52 o   43.884   13.633   16.925   8.9607   16.925   8.9607   0.0000   0.0000   43.884   13.633  ?   ?       ?      ? 
1 1 1   -4   22   53 o   30.342   12.566   5.2175   8.4467   5.2175   8.4467   0.0000   0.0000   30.342   12.566  ?   ?       ?      ? 
1 1 1   -4   22   54 o   27.663   12.014   2.3866   8.3712   2.3866   8.3712   0.0000   0.0000   27.663   12.014  ?   ?       ?      ? 
1 1 1   -4   22   55 o   21.738   10.292  -5.9283   8.0672  -5.9283   8.0672   0.0000   0.0000   21.738   10.292  ?   ?       ?      ? 
1 1 1   -4   22   56 o   40.534   13.469   15.182   8.6442   15.182   8.6442   0.0000   0.0000   40.534   13.469  ?   ?       ?      ? 
1 1 1   -4   23    1 o   30.419   9.0677   1.8003   6.3077  -0.5443   8.1506   5.3014   9.9600   26.805   11.744   34.034   13.819 -7.228613 18.13534 
1 1 1   -4   23    2 o   34.694   9.6337   2.4090   7.2987   14.796   11.193  -6.7535   9.6268   44.258   15.319   25.130   11.686 19.12862 19.26738 
1 1 1   -4   23    3 o   27.941   8.8409  -3.8418   7.2216 -11.9402   10.927   2.4396   9.6230   24.658   11.761   31.225   13.203 -6.566252 17.68185 
1 1 1   -4   23    4 o   55.108   10.670   24.257   8.1489   24.949   12.415   23.733   10.801   55.493   15.768   54.723   14.378 0.7692375 21.33906 
1 1 1   -4   23    5 o   51.247   9.3278   21.250   6.7020   26.116   8.7551   14.364   10.416   58.930   11.375   43.563   14.786 15.36668 18.65562 
1 1 1   -4   23    6 o   36.839   9.2278   6.5889   6.1393   0.0931   7.7887   17.246   9.9762   26.746   11.603   46.932   14.352 -20.18516 18.45570 
1 1 1   -4   23    7 o   51.788   9.4315   21.351   6.6407   23.407   8.5315   18.190   10.578   55.552   11.702   48.023   14.794 7.528858 18.86304 
1 1 1   -4   23    8 o   43.688   9.6793   14.996   6.5528   18.093   8.3507   10.034   10.571   48.393   12.608   38.984   14.690 9.408573 19.35854 
1 1 1   -4   23    9 o   31.902   9.4647   3.6199   6.5232   5.9077   7.4704  -3.7242   13.385   32.019   12.281   31.786   14.405 0.2333202 18.92947 
1 1 1   -4   23   10 o   30.489   9.2445  -2.1729   6.2206  -6.3194   7.2276   9.6753   12.217   21.247   9.9604   39.732   15.577 -18.48506 18.48903 
1 1 1   -4   23   11 o   34.037   9.8897   4.2980   6.4537   2.9112   7.4367   8.5280   12.988   28.750   11.838   39.323   15.846 -10.57307 19.77937 
1 1 1   -4   23   12 o   27.706   8.9018  -2.9498   6.1588  -3.8007   7.0463  -0.1955   12.677   22.493   10.293   32.920   14.527 -10.42667 17.80353 
1 1 1   -4   23   13 o   31.112   9.4183  -2.1173   6.2423  -6.0916   7.1399   10.775   12.860   21.199   9.9258   41.025   16.009 -19.82661 18.83660 
1 1 1   -4   23   14 o   43.869   15.119   14.673   10.898   14.673   10.898   0.0000   0.0000   43.869   15.119  ?   ?       ?      ? 
1 1 1   -4   23   15 o   34.137   14.693   2.4537   12.294   2.4537   12.294   0.0000   0.0000   34.137   14.693  ?   ?       ?      ? 
1 1 1   -4   23   16 o   50.104   16.138   20.366   12.454   20.366   12.454   0.0000   0.0000   50.104   16.138  ?   ?       ?      ? 
1 1 1   -4   23   17 o   40.896   10.506   12.147   7.1354   13.376   8.2343   8.4452   14.297   41.755   13.084   40.036   16.441 1.718872 21.01181 
1 1 1   -4   23   18 o   38.959   10.346   7.0856   6.7610   3.0298   7.8269   19.008   13.420   29.300   12.112   48.619   16.776 -19.31915 20.69173 
1 1 1   -4   23   19 o   37.467   10.175   4.8880   6.7060   0.2446   7.7533   18.678   13.361   26.695   11.578   48.239   16.734 -21.54439 20.34924 
1 1 1   -4   23   20 o   50.464   9.9835   22.005   7.2413   25.775   8.5403   12.364   13.659   58.378   11.203   42.549   16.528 15.82924 19.96695 
1 1 1   -4   23   21 f   56.514   10.252   26.549   7.5722   28.213   9.0170   22.568   13.946   61.052   11.315   51.976   17.100 9.076241 20.50488 
1 1 1   -4   23   22 o   27.922   8.8160  -0.8717   6.2927   0.2455   7.4142  -3.7496   11.900   26.125   11.327   29.720   13.513 -3.594547 17.63198 
1 1 1   -4   23   23 o   45.193   10.403   12.590   6.9628   7.1170   8.1910   26.845   13.220   33.827   12.887   56.559   16.334 -22.73217 20.80577 
1 1 1   -4   23   24 o   45.992   10.620   15.798   7.0804   13.912   8.3944   20.447   13.181   42.274   13.205   49.711   16.635 -7.436428 21.23899 
1 1 1   -4   23   25 o   50.660   10.485   21.201   7.4642   22.288   9.0030   18.813   13.350   53.308   12.652   48.012   16.723 5.295700 20.97018 
1 1 1   -4   23   26 o   60.170   10.569   28.746   8.0763   27.294   9.6629   32.114   14.710   59.218   12.437   61.121   17.093 -1.902180 21.13846 
1 1 1   -4   23   27 o   31.521   9.2181   2.8644   7.0059   8.8360   8.3535 -11.2962   12.864   35.780   13.138   27.261   12.934 8.518929 18.43613 
1 1 1   -4   23   28 o   43.124   11.465   13.346   9.3203   7.9027   13.005   19.095   13.364   38.178   15.679   48.069   16.733 -9.890976 22.93081 
1 1 1   -4   23   29 o   37.764   10.518   3.6042   9.1326 -10.8513   12.600   19.603   13.256   27.046   12.822   48.483   16.677 -21.43756 21.03611 
1 1 1   -4   23   30 o   45.421   10.965   13.514   9.3317  -0.3068   12.762   29.392   13.679   32.367   14.413   58.475   16.529 -26.10857 21.93057 
1 1 1   -4   23   31 o   41.426   10.071   5.3061   8.8811 -14.1620   12.022   28.694   13.177   24.937   12.010   57.915   16.170 -32.97747 20.14262 
1 1 1   -4   23   32 o   34.676   10.334   4.4123   8.4497   8.6797   11.816  -0.0531   12.087   37.677   15.138   31.676   14.071 6.001663 20.66774 
1 1 1   -4   23   33 o   46.079   10.999   16.790   8.7817   25.862   12.386   7.6207   12.453   54.977   15.792   37.181   15.315 17.79616 21.99802 
1 1 1   -4   23   34 o   30.109   9.2156  -0.6875   6.8177  -5.5591   8.5164   8.0056   11.376   23.590   10.977   36.628   14.805 -13.03807 18.43114 
1 1 1   -4   23   35 o   42.335   10.610   12.527   7.4074   7.9609   9.0887   21.561   12.784   34.876   13.501   49.793   16.371 -14.91653 21.21989 
1 1 1   -4   23   36 o   25.852   11.606  -1.6570   8.4568  -1.6570   8.4568   0.0000   0.0000   25.852   11.606  ?   ?       ?      ? 
1 1 1   -4   23   37 o   32.037   12.949   5.5878   8.7029   5.5878   8.7029   0.0000   0.0000   32.037   12.949  ?   ?       ?      ? 
1 1 1   -4   23   38 o   37.456   13.541   10.727   8.8246   10.727   8.8246   0.0000   0.0000   37.456   13.541  ?   ?       ?      ? 
1 1 1   -4   23   39 f   27.199   11.920   0.5591   8.4024   0.5591   8.4024   0.0000   0.0000   27.199   11.920  ?   ?       ?      ? 
1 1 1   -4   23   40 o   41.960   13.801   14.676   9.0843   14.676   9.0843   0.0000   0.0000   41.960   13.801  ?   ?       ?      ? 
1 1 1   -4   23   41 o   33.977   13.326   7.8048   8.9442   7.8048   8.9442   0.0000   0.0000   33.977   13.326  ?   ?       ?      ? 
1 1 1   -4   23   42 o   27.954   12.066   1.9512   8.3383   1.9512   8.3383   0.0000   0.0000   27.954   12.066  ?   ?       ?      ? 
1 1 1   -4   23   43 o   43.044   13.752   15.961   9.0585   15.961   9.0585   0.0000   0.0000   43.044   13.752  ?   ?       ?      ? 
1 1 1   -4   23   44 o   27.757   12.024   1.9740   8.3428   1.9740   8.3428   0.0000   0.0000   27.757   12.024  ?   ?       ?      ? 
1 1 1   -4   23   45 o   31.797   12.927   6.3424   8.7276   6.3424   8.7276   0.0000   0.0000   31.797   12.927  ?   ?       ?      ? 
1 1 1   -4   23   46 o   31.389   12.806   6.1855   8.6042   6.1855   8.6042   0.0000   0.0000   31.389   12.806  ?   ?       ?      ? 
1 1 1   -4   23   47 o   23.343   10.857  -3.9244   8.3133  -3.9244   8.3133   0.0000   0.0000   23.343   10.857  ?   ?       ?      ? 
1 1 1   -4   23   48 o   46.580   13.587   19.730   9.1061   19.730   9.1061   0.0000   0.0000   46.580   13.587  ?   ?       ?      ? 
1 1 1   -4   23   49 o   29.953   12.456   5.4602   8.3481   5.4602   8.3481   0.0000   0.0000   29.953   12.456  ?   ?       ?      ? 
1 1 1   -4   24    1 o   30.589   8.8132   3.8276   5.9359   7.0538   7.8290  -0.5349   9.1039   33.300   12.620   27.877   12.306 5.423059 17.62631 
1 1 1   -4   24    2 o   35.430   9.3398   8.3519   6.2191   11.471   8.0200   3.6471   9.8496   38.849   12.976   32.011   13.437 6.837585 18.67954 
1 1 1   -4   24    3 o   32.746   9.2267   4.6042   6.1041   1.1984   7.7386   10.213   9.9308   27.310   11.703   38.182   14.268 -10.87248 18.45348 
1 1 1   -4   24    4 o   22.532   7.5325  -7.4664   5.8627  -7.0869   7.4205  -8.0966   9.5637   21.005   9.9229   24.060   11.335 -3.055214 15.06492 
1 1 1   -4   24    5 o   31.795   9.2113   2.7881   6.2757  -1.2520   7.8728   9.8299   10.394   25.535   11.349   38.056   14.512 -12.52011 18.42269 
1 1 1   -4   24    6 o   31.057   9.3435   2.6088   6.9276   7.0266   7.7695 -14.5270   15.302   33.210   12.575   28.905   13.823 4.305698 18.68694 
1 1 1   -4   24    7 o   35.461   12.964   8.7368   8.1205   8.7368   8.1205   0.0000   0.0000   35.461   12.964  ?   ?       ?      ? 
1 1 1   -4   24    8 f   31.108   9.8812  -1.8557   8.7515   3.5376   10.417 -14.7977   16.136   32.506   13.741   29.709   14.204 2.797438 19.76245 
1 1 1   -4   24    9 o   46.332   9.6438   18.963   7.4212   25.509   8.7519   2.2097   14.000   57.537   11.625   35.127   15.391 22.40999 19.28756 
1 1 1   -4   24   10 o   64.189   9.5963   37.441   6.9698   41.487   7.9042   23.299   14.778   76.479   7.6266   51.898   17.612 24.58039 19.19260 
1 1 1   -4   24   11 o   37.376   9.6295   10.330   6.0252   12.189   6.6966   2.4237   13.806   39.712   11.671   35.040   15.320 4.672066 19.25898 
1 1 1   -4   24   12 o   24.223   8.1251  -5.8290   5.5044  -5.9301   6.1369  -5.4130   12.449   19.178   9.0489   29.267   13.498 -10.08934 16.25026 
1 1 1   -4   24   13 o   31.694   9.3968   4.1356   5.7970   4.4473   6.4736   2.8739   13.024   28.838   11.328   34.549   14.995 -5.710978 18.79351 
1 1 1   -4   24   14 o   34.949   9.6906   2.8351   5.7715  -0.9471   6.4600   17.796   12.848   23.374   10.340   46.523   16.393 -23.14869 19.38125 
1 1 1   -4   24   15 o   32.597   9.5763   4.2520   5.8452   3.4790   6.5579   7.2396   12.892   27.813   11.241   37.381   15.506 -9.568289 19.15254 
1 1 1   -4   24   16 f   30.668   9.3594   2.3594   5.9389   2.1087   6.6601   3.3323   13.122   26.493   11.080   34.842   15.087 -8.349260 18.71881 
1 1 1   -4   24   17 o   37.467   10.042   8.7452   6.0746   7.5547   6.8801   12.955   12.938   33.029   11.954   41.906   16.139 -8.876186 20.08454 
1 1 1   -4   24   18 o   39.034   9.5902   12.053   6.2155   14.358   7.1279   4.7422   12.697   42.746   11.878   35.322   15.060 7.423977 19.18039 
1 1 1   -4   24   19 o   27.233   8.5963  -0.1239   5.7846   1.2565   6.5959  -4.7219   12.038   25.512   10.865   28.954   13.324 -3.441593 17.19254 
1 1 1   -4   24   20 f   45.098   9.5963   17.529   6.3700   19.988   7.3710   10.275   12.660   50.857   11.014   39.339   15.718 11.51842 19.19252 
1 1 1   -4   24   21 o   41.785   9.9773   9.6200   6.1672   4.7888   7.0621   25.141   12.658   29.745   11.785   53.825   16.103 -24.08016 19.95457 
1 1 1   -4   24   22 o   31.820   9.5090   3.8128   6.9896   6.1492   8.5298  -0.9622   12.194   32.596   12.940   31.043   13.937 1.552937 19.01808 
1 1 1   -4   24   23 o   70.946   10.645   37.713   10.234   37.713   10.234   0.0000   0.0000   70.946   10.645  ?   ?       ?      ? 
1 1 1   -4   24   24 o   43.638   10.733   15.854   7.6683   17.192   9.2381   12.888   13.751   45.644   13.779   41.631   16.461 4.013615 21.46677 
1 1 1   -4   24   25 o   32.670   9.7088   4.3483   6.9784   3.1141   8.6305   6.6790   11.860   29.726   12.533   35.615   14.831 -5.888880 19.41766 
1 1 1   -4   24   26 o   24.620   8.1911  -7.1297   6.6435  -8.8536   8.2939  -4.0436   11.097   21.382   10.212   27.859   12.810 -6.476929 16.38214 
1 1 1   -4   24   27 o   56.346   10.245   24.657   7.6150   18.674   9.3109   36.742   13.234   47.266   13.725   65.425   15.214 -18.15922 20.49006 
1 1 1   -4   24   28 f   36.762   9.8593   9.7986   7.0864   13.591   8.8568   3.0509   11.814   40.795   13.636   32.729   14.244 8.065338 19.71853 
1 1 1   -4   24   29 o   30.494   9.2995   2.7797   6.8058   3.0102   8.5383   2.3781   11.270   29.303   12.416   31.685   13.848 -2.382504 18.59898 
1 1 1   -4   24   30 o   37.750   13.661   11.196   8.9848   11.196   8.9848   0.0000   0.0000   37.750   13.661  ?   ?       ?      ? 
1 1 1   -4   24   31 o   46.731   13.503   18.499   9.0324   18.499   9.0324   0.0000   0.0000   46.731   13.503  ?   ?       ?      ? 
1 1 1   -4   24   32 o   31.582   12.705   5.9541   8.3343   5.9541   8.3343   0.0000   0.0000   31.582   12.705  ?   ?       ?      ? 
1 1 1   -4   24   33 o   33.144   13.000   7.4667   8.5135   7.4667   8.5135   0.0000   0.0000   33.144   13.000  ?   ?       ?      ? 
1 1 1   -4   24   34 o   57.754   12.631   27.726   9.6106   27.726   9.6106   0.0000   0.0000   57.754   12.631  ?   ?       ?      ? 
1 1 1   -4   24   35 o   30.631   12.728   4.9320   8.7073   4.9320   8.7073   0.0000   0.0000   30.631   12.728  ?   ?       ?      ? 
1 1 1   -4   24   36 o   37.543   13.679   11.714   9.0294   11.714   9.0294   0.0000   0.0000   37.543   13.679  ?   ?       ?      ? 
1 1 1   -4   24   37 o   24.818   11.345  -2.2156   8.5313  -2.2156   8.5313   0.0000   0.0000   24.818   11.345  ?   ?       ?      ? 
1 1 1   -4   24   38 o   27.033   11.931   1.1377   8.5549   1.1377   8.5549   0.0000   0.0000   27.033   11.931  ?   ?       ?      ? 
1 1 1   -4   24   39 o   22.196   10.450  -5.3800   8.1014  -5.3800   8.1014   0.0000   0.0000   22.196   10.450  ?   ?       ?      ? 
1 1 1   -4   24   40 o   38.643   13.709   13.369   9.0009   13.369   9.0009   0.0000   0.0000   38.643   13.709  ?   ?       ?      ? 
1 1 1   -4   24   41 o   32.484   13.009   7.8988   8.6952   7.8988   8.6952   0.0000   0.0000   32.484   13.009  ?   ?       ?      ? 
1 1 1   -4   25    1 o   33.444   10.274   1.1054   8.8272  -6.1602   11.584   11.166   13.631   27.229   12.715   39.658   16.142 -12.42921 20.54862 
1 1 1   -4   25    2 o   55.549   10.725   25.757   8.2311   34.651   13.207   20.109   10.525   62.856   15.582   48.243   14.740 14.61364 21.44966 
1 1 1   -4   25    3 o   43.353   10.475   15.950   7.9333   7.9688   12.317   21.608   10.371   36.547   15.158   50.159   14.462 -13.61195 20.95071 
1 1 1   -4   25    4 o   42.238   10.754   14.522   7.7637   17.596   12.144   12.397   10.096   44.993   15.928   39.483   14.452 5.509995 21.50756 
1 1 1   -4   25    5 o   37.320   10.394   9.8099   7.6356   10.578   11.921   9.2755   9.9429   38.402   15.281   36.238   14.095 2.164543 20.78881 
1 1 1   -4   25    6 o   54.668   10.274   26.874   8.0984   17.998   12.579   33.158   10.584   45.320   16.193   64.015   12.649 -18.69410 20.54769 
1 1 1   -4   25    7 o   28.739   9.1147  -1.0470   7.2109   2.1012   11.385  -3.1560   9.3183   31.602   13.862   25.875   11.839 5.726707 18.22935 
1 1 1   -4   25    8 o   27.472   8.9757  -5.1086   7.8597  -9.1674   10.704  -0.3600   11.578   24.697   11.741   30.247   13.580 -5.549982 17.95138 
1 1 1   -4   25    9 o   28.772   8.9877   0.9039   6.6417   2.0684   8.1137  -1.4611   11.563   27.967   11.984   29.576   13.398 -1.608688 17.97540 
1 1 1   -4   25   10 o   30.520   9.2993   1.1567   6.6577  -2.5288   8.1313   8.6531   11.597   24.534   11.161   36.506   14.878 -11.97176 18.59868 
1 1 1   -4   25   11 o   37.492   9.0613   10.110   7.1196   19.287   8.5698 -10.3338   12.791   48.217   12.874   26.767   12.755 21.45064 18.12260 
1 1 1   -4   25   12 o   36.697   10.189   9.1211   7.0433   7.4812   8.6001   12.462   12.274   33.469   13.083   39.925   15.624 -6.455982 20.37853 
1 1 1   -4   25   13 o   25.521   8.3473  -3.8551   6.6341  -1.3738   8.1000  -8.9111   11.562   25.219   11.337   25.824   12.255 -0.6049843 16.69469 
1 1 1   -4   25   14 o   34.000   10.152   3.8940   8.4601  -4.1983   11.801   12.451   12.135   28.247   13.067   39.754   15.541 -11.50694 20.30450 
1 1 1   -4   25   15 o   32.982   10.144   3.8066   8.4625   3.0073   12.381   4.5075   11.594   32.815   14.423   33.148   14.268 -0.3327560 20.28762 
1 1 1   -4   25   16 o   42.308   11.333   14.785   9.0797   20.678   13.334   9.6907   12.398   47.175   16.692   37.442   15.335 9.733006 22.66660 
1 1 1   -4   25   17 o   32.403   10.033   3.2008   8.3992   3.5366   12.036   2.8821   11.727   32.746   14.311   32.059   14.065 0.6865921 20.06561 
1 1 1   -4   25   18 o   33.995   10.223   3.5361   8.7077   13.168   12.589  -5.2994   12.057   40.162   15.791   27.829   12.987 12.33313 20.44563 
1 1 1   -4   25   19 o   32.723   10.132   3.6097   8.5677   3.7361   12.307   3.4909   11.934   32.952   14.434   32.494   14.224 0.4582901 20.26501 
1 1 1   -4   25   20 o   57.141   11.616   31.101   9.7472   23.829   13.815   38.309   13.754   49.498   17.025   64.785   15.807 -15.28623 23.23148 
1 1 1   -4   25   21 o   37.748   10.252   10.869   7.0539   9.1180   8.6694   14.300   12.134   34.767   13.255   40.729   15.644 -5.961800 20.50436 
1 1 1   -4   25   22 o   43.706   9.0242   17.193   7.2565   27.378   9.0226  -1.4602   12.210   57.786   11.918   29.626   13.554 28.15987 18.04831 
1 1 1   -4   25   23 o   26.738   8.5914  -1.1490   6.4755  -1.2177   7.9786  -1.0164   11.084   24.814   11.195   28.661   13.035 -3.846786 17.18278 
1 1 1   -4   25   24 o   33.522   13.044   8.2547   8.5177   8.2547   8.5177   0.0000   0.0000   33.522   13.044  ?   ?       ?      ? 
1 1 1   -4   25   25 o   39.328   13.588   13.418   8.8056   13.418   8.8056   0.0000   0.0000   39.328   13.588  ?   ?       ?      ? 
1 1 1   -4   25   26 o   18.377   9.0129 -12.3760   7.6561 -12.3760   7.6561   0.0000   0.0000   18.377   9.0129  ?   ?       ?      ? 
1 1 1   -4   25   27 f   43.449   13.563   16.929   8.8573   16.929   8.8573   0.0000   0.0000   43.449   13.563  ?   ?       ?      ? 
1 1 1   -4   25   28 o   29.501   13.555  -0.8355   12.394  -0.8355   12.394   0.0000   0.0000   29.501   13.555  ?   ?       ?      ? 
1 1 1   -4   25   29 o   54.168   17.521   31.637   14.670   31.637   14.670   0.0000   0.0000   54.168   17.521  ?   ?       ?      ? 
1 1 1   -4   25   30 o   26.092   12.474  -8.0933   12.443  -8.0933   12.443   0.0000   0.0000   26.092   12.474  ?   ?       ?      ? 
1 1 1   -4   25   31 o   38.489   16.009   13.720   13.796   13.720   13.796   0.0000   0.0000   38.489   16.009  ?   ?       ?      ? 
1 1 1   -4   26    1 o   37.004   10.094   8.2994   8.4924   22.698   11.915  -6.5663   12.107   47.558   15.814   26.450   12.548 21.10745 20.18740 
1 1 1   -4   26    2 o   27.025   8.9515  -4.2858   8.1981  -6.2114   11.198  -2.0619   12.035   25.636   12.135   28.415   13.163 -2.779139 17.90294 
1 1 1   -4   26    3 o   30.036   9.5757   0.0965   8.4621  -6.8292   11.771   7.5037   12.173   25.990   12.343   34.081   14.644 -8.091221 19.15136 
1 1 1   -4   26    4 o   36.383   10.500   8.6680   8.9292  -2.1115   12.616   19.487   12.639   28.902   13.420   43.863   16.153 -14.96086 21.00006 
1 1 1   -4   26    5 o   32.373   14.324   4.6841   12.405   0.0000   0.0000   4.6841   12.405  ?   ?    32.373   14.324      ?      ? 
1 1 1   -4   26    6 o   45.909   16.730   22.193   13.509   0.0000   0.0000   22.193   13.509  ?   ?    45.909   16.730      ?      ? 
1 1 1   -4   26    7 o   31.097   13.929   2.9606   12.107   0.0000   0.0000   2.9606   12.107  ?   ?    31.097   13.929      ?      ? 
1 1 1   -4   26    8 o   47.435   16.746   23.873   13.413   0.0000   0.0000   23.873   13.413  ?   ?    47.435   16.746      ?      ? 
1 1 1   -4   26    9 o   65.298   16.040   41.898   14.091   0.0000   0.0000   41.898   14.091  ?   ?    65.298   16.040      ?      ? 
1 1 1   -4   26   10 o   36.674   15.051   11.435   11.974   0.0000   0.0000   11.435   11.974  ?   ?    36.674   15.051      ?      ? 
1 1 1   -4   26   11 o   21.996   10.739 -13.1161   10.504   0.0000   0.0000 -13.1161   10.504  ?   ?    21.996   10.739      ?      ? 
1 1 1   -4   26   12 o   32.870   14.204   6.6518   11.584   0.0000   0.0000   6.6518   11.584  ?   ?    32.870   14.204      ?      ? 
1 1 1   -4   26   13 o   40.597   15.891   16.509   12.700   0.0000   0.0000   16.509   12.700  ?   ?    40.597   15.891      ?      ? 
1 1 1   -4   26   14 o   49.953   10.885   23.214   9.3283   43.363   14.226   8.0142   12.356   65.898   16.074   34.008   14.683 31.88913 21.77051 
1 1 1   -3    0    3 o  374.883   7.2013  953.962   36.511  984.625   52.378  924.981   50.921  380.754   10.168  369.013   10.201 -0.000000 0.000000 
1 1 1   -3    0    4 o  257.633   5.8850  451.012   20.492  465.131   29.305  437.502   28.666  261.592   8.2857  253.673   8.3595 -0.000000 0.000000 
1 1 1   -3    0    5 o  151.196   4.9894  155.923   10.172  155.149   14.392  156.695   14.379  150.816   7.0773  151.576   7.0347 -0.000000 0.000000 
1 1 1   -3    0    6 o  367.126   7.1220  915.409   35.370  927.393   50.324  903.709   49.723  369.506   10.067  364.746   10.077 -0.000000 0.000000 
1 1 1   -3    0    7 o  526.392   9.1707  1881.52   65.326  1896.41   92.806  1866.90   91.970  528.459   12.977  524.326   12.962 -0.000000 0.000000 
1 1 1   -3    0    8 o  541.581   9.3786  1991.19   68.727  2028.09   98.225  1955.81   96.197  546.501   13.281  536.660   13.246 -0.000000 0.000000 
1 1 1   -3    0    9 o  214.688   5.5306  313.566   16.041  317.139   22.786  310.055   22.587  215.907   7.8110  213.470   7.8318 -0.000000 0.000000 
1 1 1   -3    0   10 o  603.429   10.234  2472.52   83.571  2496.53  118.917  2449.08  117.471  606.327   14.492  600.531   14.454 -0.000000 0.000000 
1 1 1   -3    0   11 o  387.281   7.3996  1018.76   38.770  1012.49   54.735  1025.06   54.924  386.082   10.479  388.479   10.450 -0.000000 0.000000 
1 1 1   -3    0   12 o  1016.30   16.187  7017.58  222.651  7103.19  317.446  6934.68  312.367  1022.40   22.938  1010.20   22.844 -0.000000 0.000000 
1 1 1   -3    0   13 o  1630.77   35.966 18109.97  793.939   0.0000   0.0000 18109.97  793.939  1630.77   35.966  1630.77   35.966 -0.000000 0.000000 
1 1 1   -3    0   14 o  1431.32   31.694 13941.77  614.058   0.0000   0.0000 13941.77  614.058  1431.32   31.694  1431.32   31.694 -0.000000 0.000000 
1 1 1   -3    0   15 o  743.460   12.225  3754.60  123.020  3759.63  174.176  3749.58  173.776  743.957   17.298  742.962   17.281 -0.000000 0.000000 
1 1 1   -3    0   16 o  203.166   5.5471  280.956   15.220  283.983   21.638  277.992   21.412  204.254   7.8435  202.078   7.8460 -0.000000 0.000000 
1 1 1   -3    0   17 o  1018.31   16.237  7047.55  223.765  7170.85  320.100  6929.71  312.924  1027.02   23.026  1009.60   22.899 -0.000000 0.000000 
1 1 1   -3    0   18 o  948.642   15.216  6117.26  195.372  6165.71  277.781  6069.83  274.838  952.360   21.549  944.924   21.488 -0.000000 0.000000 
1 1 1   -3    0   19 o  623.129   10.548  2637.90   88.957  2639.83  125.931  2635.99  125.677  623.355   14.927  622.904   14.908 -0.000000 0.000000 
1 1 1   -3    0   20 o  522.196   13.001  1852.57   91.875  1852.57   91.875   0.0000   0.0000  522.196   13.001  522.196   13.001 -0.000000 0.000000 
1 1 1   -3    0   21 o  300.804   6.5204  615.007   26.520  604.575   37.273  625.705   37.743  298.211   9.2434  303.397   9.1991 -0.000000 0.000000 
1 1 1   -3    0   22 o  152.785   5.3904  159.402   11.097  158.960   15.737  159.840   15.650  152.567   7.6557  153.002   7.5905 -0.000000 0.000000 
1 1 1   -3    0   23 o  379.669   7.4090  979.548   38.051  963.800   53.512  995.655   54.119  376.573   10.505  382.765   10.451 -0.000000 0.000000 
1 1 1   -3    0   24 o  316.931   6.7143  682.880   28.778  681.228   40.793  684.516   40.603  316.545   9.5293  317.318   9.4613 -0.000000 0.000000 
1 1 1   -3    0   25 f  398.891   7.6563  1081.46   41.316  1070.52   58.325  1092.49   58.535  396.857   10.864  400.926   10.791 -0.000000 0.000000 
1 1 1   -3    0   26 o  578.748   9.9919  2276.80   78.253  2243.03  109.901  2311.52  111.447  574.388   14.139  583.109   14.123 -0.000000 0.000000 
1 1 1   -3    0   27 o  480.329   8.6933  1568.15   56.502  1568.07   80.058  1568.24   79.754  480.313   12.318  480.345   12.270 -0.000000 0.000000 
1 1 1   -3    0   28 o  297.234   6.5663  600.747   26.389  600.532   37.481  600.957   37.161  297.177   9.3279  297.292   9.2442 -0.000000 0.000000 
1 1 1   -3    0   29 o  422.220   7.9800  1211.32   45.581  1188.52   64.054  1234.71   64.875  418.183   11.322  426.258   11.249 -0.000000 0.000000 
1 1 1   -3    0   30 o  499.495   8.9595  1695.25   60.554  1673.18   85.223  1717.75   86.056  496.204   12.693  502.787   12.648 -0.000000 0.000000 
1 1 1   -3    0   31 o  328.225   9.7735  732.267   43.384   0.0000   0.0000  732.267   43.384  328.225   9.7735  328.225   9.7735 -0.000000 0.000000 
1 1 1   -3    0   32 o  456.505   11.904  1415.87   73.529   0.0000   0.0000  1415.87   73.529  456.505   11.904  456.505   11.904 -0.000000 0.000000 
1 1 1   -3    0   33 o  476.942   8.7080  1545.44   56.196  1539.57   79.592  1551.27   79.355  476.033   12.357  477.851   12.273 -0.000000 0.000000 
1 1 1   -3    0   34 o  823.591   13.466  4609.18  150.088  4527.00  210.177  4694.69  214.399  816.092   19.028  831.089   19.059 -0.000000 0.000000 
1 1 1   -3    0   35 o  438.547   8.2506  1306.65   48.953  1292.62   69.174  1320.72   69.285  436.178   11.722  440.916   11.614 -0.000000 0.000000 
1 1 1   -3    0   36 o  561.745   9.8222  2143.77   74.667  2136.05  105.623  2151.48  105.566  560.730   13.920  562.760   13.862 -0.000000 0.000000 
1 1 1   -3    0   37 o  468.083   12.230  1488.54   77.457  1488.54   77.457   0.0000   0.0000  468.083   12.230  468.083   12.230 -0.000000 0.000000 
1 1 1   -3    0   38 o  374.260   10.677  951.858   54.050  951.858   54.050   0.0000   0.0000  374.260   10.677  374.260   10.677 -0.000000 0.000000 
1 1 1   -3    0   39 o  806.837   13.259  4407.29  144.483  4144.97  196.745  4714.36  212.865  780.859   18.617  832.815   18.883 -0.000000 0.000000 
1 1 1   -3    0   40 f  792.499   13.040  4269.37  139.868  4281.32  198.395  4257.56  197.216  793.600   18.470  791.399   18.412 -0.000000 0.000000 
1 1 1   -3    0   41 o  445.409   8.3765  1347.88   50.475  1324.62   70.955  1371.69   71.817  441.509   11.879  449.309   11.813 -0.000000 0.000000 
1 1 1   -3    0   42 o  264.730   6.5271  476.487   23.342  488.361   33.588  465.396   32.462  267.924   9.2762  261.536   9.1849 -0.000000 0.000000 
1 1 1   -3    0   43 o  893.556   14.530  5417.93  175.475  5705.40  256.827  5166.24  240.313  915.731   20.720  871.382   20.376 -0.000000 0.000000 
1 1 1   -3    0   44 o  750.496   12.481  3830.54  126.777  3809.09  179.106  3852.08  179.473  748.382   17.683  752.610   17.619 -0.000000 0.000000 
1 1 1   -3    0   45 o  380.379   7.6947  982.607   39.566  1011.11   57.179  956.420   54.807  385.671   10.961  375.088   10.803 -0.000000 0.000000 
1 1 1   -3    0   46 o  674.706   11.435  3087.86  104.269  3250.32  152.475  2945.15  142.906  691.342   16.295  658.069   16.047 -0.000000 0.000000 
1 1 1   -3    0   47 o  361.220   7.5043  887.257   36.657  882.869   52.175  891.534   51.514  360.324   10.707  362.115   10.518 -0.000000 0.000000 
1 1 1   -3    0   48 o  657.840   15.811  2943.96  140.768   0.0000   0.0000  2943.96  140.768  657.840   15.811  657.840   15.811 -0.000000 0.000000 
1 1 1   -3    0   49 o  625.640   15.207  2663.07  128.760   0.0000   0.0000  2663.07  128.760  625.640   15.207  625.640   15.207 -0.000000 0.000000 
1 1 1   -3    0   50 o  851.093   13.976  4930.33  160.875  4743.61  222.376  5135.35  233.019  834.203   19.696  867.984   19.834 -0.000000 0.000000 
1 1 1   -3    0   51 o  486.444   9.0677  1609.26   59.655  1545.18   83.510  1676.03   85.246  476.518   12.954  496.369   12.692 -0.000000 0.000000 
1 1 1   -3    0   52 o   93.105   11.696   61.564   14.126   0.0000   0.0000   61.564   14.126   93.105   11.696   93.105   11.696 -0.000000 0.000000 
1 1 1   -3    0   53 o  182.649   9.3032  228.091   22.890  228.091   22.890   0.0000   0.0000  182.649   9.3032  182.649   9.3032 -0.000000 0.000000 
1 1 1   -3    0   54 o  110.658   10.208   85.207   15.008   85.207   15.008   0.0000   0.0000  110.658   10.208  110.658   10.208 -0.000000 0.000000 
1 1 1   -3    0   55 o  143.024   6.5924  140.494   12.649  144.172   18.153  137.023   17.634  144.862   9.3363  141.185   9.3098 -0.000000 0.000000 
1 1 1   -3    0   56 o   86.953   8.1602   54.128   9.0905   52.146   13.265   55.882   12.482   85.095   12.238   88.811   10.797 -0.000000 0.000000 
1 1 1   -3    0   57 o  223.409   6.5219  340.685   19.646  321.569   27.712  360.002   27.857  217.033   9.4632  229.785   8.9771 -0.000000 0.000000 
1 1 1   -3    0   58 o  253.578   6.6780  437.871   22.862  455.582   32.982  421.490   31.719  258.529   9.4428  248.627   9.4454 -0.000000 0.000000 
1 1 1   -3    0   59 o  334.117   7.3594  760.253   33.236  771.546   47.777  749.664   46.265  336.510   10.500  331.723   10.315 -0.000000 0.000000 
1 1 1   -3    0   60 f  360.928   7.6380  887.748   37.279  880.683   52.942  894.696   52.501  359.483   10.890  362.373   10.712 -0.000000 0.000000 
1 1 1   -3    0   61 o  131.882   6.8549  119.888   12.088  123.605   17.556  116.538   16.668  133.827   9.8013  129.938   9.5861 -0.000000 0.000000 
1 1 1   -3    0   62 o  106.677   7.4524   79.395   10.518   84.398   15.298   74.910   14.485  109.965   10.485  103.390   10.593 -0.000000 0.000000 
1 1 1   -3    0   63 o  222.646   6.6229  338.785   19.882  322.033   28.128  355.513   28.107  217.067   9.6051  228.225   9.1211 -0.000000 0.000000 
1 1 1   -3    0   64 o  185.302   9.1660  234.992   22.888   0.0000   0.0000  234.992   22.888  185.302   9.1660  185.302   9.1660 -0.000000 0.000000 
1 1 1   -3    0   65 o  128.133   7.2889  114.305   12.391  107.612   18.152  120.145   16.956  124.346   10.969  131.919   9.6020 -0.000000 0.000000 
1 1 1   -3    0   66 o  147.521   6.9705  149.475   13.769  160.859   20.094  139.400   18.904  152.886   9.7909  142.157   9.9242 -0.000000 0.000000 
1 1 1   -3    0   67 o  252.836   6.9104  436.746   23.585  420.605   33.292  453.009   33.418  248.090   9.9389  257.583   9.6039 -0.000000 0.000000 
1 1 1   -3    0   68 o  397.790   8.1571  1079.35   43.853  1022.12   60.977  1140.67   63.114  386.820   11.657  408.760   11.414 -0.000000 0.000000 
1 1 1   -3    0   69 o  255.770   10.080  447.201   34.813  447.201   34.813   0.0000   0.0000  255.770   10.080  255.770   10.080 -0.000000 0.000000 
1 1 1   -3    0   70 o  131.986   10.731  120.944   18.901  120.944   18.901   0.0000   0.0000  131.986   10.731  131.986   10.731 -0.000000 0.000000 
1 1 1   -3    0   71 o  288.370   7.1773  567.365   27.941  587.973   40.632  548.878   38.485  293.324   10.250  283.416   10.049 -0.000000 0.000000 
1 1 1   -3    0   72 o  124.728   7.5093  108.087   12.468  112.217   18.135  104.384   17.170  127.002   10.713  122.453   10.526 -0.000000 0.000000 
1 1 1   -3    0   73 o  243.437   6.9024  405.973   22.661  387.876   32.248  423.627   31.851  237.977   10.040  248.897   9.4744 -0.000000 0.000000 
1 1 1   -3    0   74 f  119.723   7.6498  100.389   12.135   96.106   17.617  104.255   16.739  117.045   11.352  122.400   10.257 -0.000000 0.000000 
1 1 1   -3    0   75 o   74.602   11.217   43.898   9.7410   34.772   14.080   52.277   13.491   64.399   18.598   84.806   12.546 -0.000000 0.000000 
1 1 1   -3    0   76 o   33.039   12.911   10.418   8.3982   11.870   12.579   9.2498   11.281   34.706   18.897   31.372   17.598 -0.000000 0.000000 
1 1 1   -3    0   77 o  130.937   7.3842  119.304   12.891  120.962   18.799  117.833   17.712  131.724   10.694  130.150   10.186 -0.000000 0.000000 
1 1 1   -3    0   78 o  162.880   9.6650  183.195   21.161   0.0000   0.0000  183.195   21.161  162.880   9.6650  162.880   9.6650 -0.000000 0.000000 
1 1 1   -3    0   79 o  136.502   10.022  129.578   18.309   0.0000   0.0000  129.578   18.309  136.502   10.022  136.502   10.022 -0.000000 0.000000 
1 1 1   -3    0   80 o   76.460   11.128   45.386   9.9390   58.267   14.548   34.112   13.610   89.379   12.766   63.541   18.230 -0.000000 0.000000 
1 1 1   -3    0   81 o  170.352   6.9989  201.333   16.014  193.602   22.848  208.797   22.451  166.992   10.183  173.712   9.6042 -0.000000 0.000000 
1 1 1   -3    0   82 o  179.876   7.0392  224.809   16.971  202.327   23.898  247.683   24.105  170.504   10.433  189.249   9.4531 -0.000000 0.000000 
1 1 1   -3    0   83 o  110.446   11.510   87.059   16.799   87.059   16.799   0.0000   0.0000  110.446   11.510  110.446   11.510 -0.000000 0.000000 
1 1 1   -3    0   84 o   81.938   11.083   52.498   10.474   69.500   15.199   37.121   14.454   97.994   11.915   65.881   18.690 -0.000000 0.000000 
1 1 1   -3    0   85 o  139.655   7.2319  136.933   13.498  146.812   19.422  127.704   18.773  144.698   10.015  134.613   10.435 -0.000000 0.000000 
1 1 1   -3    0   86 o  111.976   8.0128   89.268   11.645  109.686   17.258   72.199   15.779  124.448   10.400   99.504   12.192 -0.000000 0.000000 
1 1 1   -3    0   87 o  131.631   7.4063  121.932   12.945  140.228   19.185  106.641   17.539  140.954   10.165  122.308   10.774 -0.000000 0.000000 
1 1 1   -3    0   88 o   45.523   13.482   20.913   8.3877   25.271   12.678   17.520   11.186   50.508   19.513   40.537   18.609 -0.000000 0.000000 
1 1 1   -3    0   89 o   32.034   11.680   9.1603   7.8136  -1.3455   11.443   18.336   10.695   22.138   14.640   41.929   18.202 -0.000000 0.000000 
1 1 1   -3    0   90 o  108.478   8.5480   87.531   11.626   66.461   16.479  108.406   16.403   93.590   13.894  123.366   9.9612 -0.000000 0.000000 
1 1 1   -3    0   91 o   73.668   14.987   43.293   13.239   0.0000   0.0000   43.293   13.239   73.668   14.987   73.668   14.987 -0.000000 0.000000 
1 1 1   -3    0   92 o   69.445   15.662   39.516   12.859   0.0000   0.0000   39.516   12.859   69.445   15.662   69.445   15.662 -0.000000 0.000000 
1 1 1   -3    0   93 o   46.561   19.187   22.675   11.993   0.0000   0.0000   22.675   11.993   46.561   19.187   46.561   19.187 -0.000000 0.000000 
1 1 1   -3    0   94 o   71.432   16.156   42.307   13.640   0.0000   0.0000   42.307   13.640   71.432   16.156   71.432   16.156 -0.000000 0.000000 
1 1 1   -3    1    1 o  632.568   10.703  2637.68   90.409  2256.99  116.527  3213.40  143.300  576.851   14.907  688.284   15.364 -111.4323 21.40687 
1 1 1   -3    1    2 o  696.578   11.500  3291.41  108.549  3258.30  152.553  3325.36  154.488  693.031   16.244  700.125   16.283 -7.094177 22.99990 
1 1 1   -3    1    3 o  494.077   8.6967  1654.60   58.228  1654.60   58.228   0.0000   0.0000  494.077   8.6967  ?   ?       ?      ? 
1 1 1   -3    1    5 o  539.688   6.6031  1974.23   48.291  1959.86   68.038  1988.82   68.553  537.709   9.3373  541.667   9.3392 -3.957703 13.20630 
1 1 1   -3    1    6 o  483.775   8.5986  1586.32   56.370   0.0000   0.0000  1586.32   56.370  ?   ?   483.775   8.5986      ?      ? 
1 1 1   -3    1    7 o  451.049   5.7735  1378.72   35.287  1359.75   49.552  1398.24   50.262  447.902   8.1638  454.197   8.1661 -6.295319 11.54702 
1 1 1   -3    1    8 o  454.117   5.7999  1397.73   35.692  1404.42   50.592  1391.11   50.361  455.198   8.2016  453.036   8.2031 2.162170 11.59990 
1 1 1   -3    1    9 o  738.303   8.5732  3695.98   85.773  3678.44  120.914  3713.74  121.694  736.541   12.114  740.065   12.134 -3.524109 17.14636 
1 1 1   -3    1   10 o  683.956   8.0293  3171.57   74.417  3151.10  104.777  3192.40  105.714  681.729   11.341  686.182   11.369 -4.452576 16.05851 
1 1 1   -3    1   11 o  634.595   7.5281  2730.18   64.738  2715.74   91.242  2744.81   91.866  632.906   10.638  636.284   10.654 -3.377502 15.05614 
1 1 1   -3    1   12 o  1499.63   16.583 15271.71  336.847 14889.93  467.982 15682.16  485.235  1480.22   23.330  1519.04   23.572 -38.82068 33.16558 
1 1 1   -3    1   13 o  1304.30   20.493 11560.73  361.858 11112.21  498.345 12060.96  526.287  1277.63   28.783  1330.97   29.179 -53.33838 40.98661 
1 1 1   -3    1   14 o  460.868   7.1951  1440.56   42.413  1441.61   52.014  1438.48   73.268  461.166   8.3231  460.571   11.739 0.5945129 14.39024 
1 1 1   -3    1   15 o  808.381   9.2868  4432.55  101.733  4432.62  143.841  4432.48  143.904  808.388   13.130  808.374   13.136 0.1397705E-01 18.57351 
1 1 1   -3    1   16 o  900.830   10.241  5505.92  125.008  5543.95  177.516  5468.51  176.068  903.914   14.492  897.745   14.473 6.168884 20.48101 
1 1 1   -3    1   17 o  1034.85   11.632  7269.75  163.120  7202.67  229.254  7338.52  232.147  1030.02   16.424  1039.68   16.477 -9.661865 23.26488 
1 1 1   -3    1   18 f  956.171   10.813  6206.06  140.105  6172.07  197.404  6240.56  198.881  953.534   15.277  958.807   15.307 -5.272522 21.62584 
1 1 1   -3    1   19 o  774.411   10.992  4084.14  108.948  4109.11  133.892  4035.19  187.426  778.198   12.696  770.623   17.948 7.575378 21.98446 
1 1 1   -3    1   20 o  446.085   8.1895  1349.57   49.495  1324.37   69.112  1376.11   70.916  441.813   11.543  450.357   11.620 -8.544220 16.37896 
1 1 1   -3    1   21 o  158.755   4.6521  171.883   9.4431  167.721   16.228  174.014   11.611  157.280   7.6138  160.230   5.3476 -2.949951 9.304160 
1 1 1   -3    1   22 o  425.097   5.6061  1225.40   32.295  1225.56   45.638  1225.25   45.706  425.125   7.9219  425.070   7.9347 0.5438232E-01 11.21228 
1 1 1   -3    1   23 o  327.433   4.8048  726.848   21.319  719.372   29.989  734.486   30.313  325.731   6.7938  329.135   6.7962 -3.404022 9.609619 
1 1 1   -3    1   24 o  482.170   6.1283  1576.99   40.042  1566.83   56.402  1587.32   56.857  480.604   8.6601  483.735   8.6734 -3.131134 12.25665 
1 1 1   -3    1   25 o  425.804   5.6380  1229.71   32.533  1226.41   45.931  1233.04   46.085  425.230   7.9707  426.378   7.9760 -1.147339 11.27604 
1 1 1   -3    1   26 o  596.125   7.2094  2411.77   58.239  2404.75   82.216  2418.84   82.511  595.255   10.192  596.995   10.199 -1.740967 14.41874 
1 1 1   -3    1   27 o  627.993   7.5234  2676.75   64.025  2669.88   90.405  2683.66   90.687  627.185   10.637  628.800   10.643 -1.614929 15.04689 
1 1 1   -3    1   28 o  439.181   5.7643  1308.13   34.306  1309.80   48.527  1306.46   48.506  439.461   8.1486  438.900   8.1554 0.5611267 11.52866 
1 1 1   -3    1   29 f  190.567   4.0433  246.142   10.439  253.431   14.845  239.012   14.683  193.359   5.6655  187.776   5.7703 5.582855 8.086646 
1 1 1   -3    1   30 o  310.482   5.8231  656.666   23.149  644.517   39.730  662.909   28.483  308.257   9.5109  312.706   6.7215 -4.449554 11.64623 
1 1 1   -3    1   31 f  515.574   7.9343  1809.67   52.395  1784.25   89.960  1822.72   64.455  512.713   12.948  518.435   9.1745 -5.721985 15.86867 
1 1 1   -3    1   32 o  657.724   9.6101  2963.64   81.310  3026.03  100.861  2847.82  137.419  667.892   11.144  647.557   15.660 20.33484 19.22016 
1 1 1   -3    1   33 o  414.219   5.6019  1163.20   31.445  1168.87   44.508  1157.55   44.431  415.227   7.9099  413.212   7.9347 2.015472 11.20385 
1 1 1   -3    1   34 f  357.036   5.1393  864.033   24.864  853.765   34.965  874.537   35.365  354.891   7.2703  359.182   7.2657 -4.291382 10.27851 
1 1 1   -3    1   35 o  687.143   8.1365  3202.71   75.763  3187.92  106.771  3217.72  107.524  685.545   11.493  688.740   11.520 -3.194946 16.27296 
1 1 1   -3    1   36 o  450.077   5.9354  1373.36   36.201  1378.98   51.176  1367.73   51.214  450.999   8.3736  449.154   8.4142 1.844482 11.87078 
1 1 1   -3    1   37 o  727.700   10.498  3620.86   98.008  3677.63  121.050  3512.81  166.988  736.267   12.132  719.132   17.135 17.13531 20.99560 
1 1 1   -3    1   38 o  419.448   6.9194  1182.32   36.952  1224.37   64.988  1162.23   44.919  424.851   11.288  414.045   8.0057 10.80588 13.83871 
1 1 1   -3    1   39 o  604.477   9.0174  2476.40   69.630  2488.80  120.773  2470.22   85.218  605.459   14.720  603.496   10.420 1.963440 18.03479 
1 1 1   -3    1   40 o  948.810   10.795  6113.14  138.790  6175.09  197.512  6052.71  195.067  953.555   15.285  944.064   15.248 9.490540 21.58981 
1 1 1   -3    1   41 o  763.196   12.593  3953.25  130.245  3953.25  130.245   0.0000   0.0000  763.196   12.593  ?   ?       ?      ? 
1 1 1   -3    1   42 o  860.966   9.9079  5033.77  115.597  5021.31  163.130  5046.35  163.829  859.896   13.999  862.035   14.024 -2.138123 19.81574 
1 1 1   -3    1   43 o  737.484   8.6821  3691.94   86.767  3673.35  122.283  3710.78  123.134  735.616   12.267  739.352   12.290 -3.736633 17.36416 
1 1 1   -3    1   44 o  676.154   8.0760  3102.98   73.997  3127.60  105.133  3078.80  104.169  678.812   11.429  673.497   11.414 5.315002 16.15207 
1 1 1   -3    1   45 o  1019.41   11.558  7066.73  159.660  7152.53  227.492  6983.45  224.131  1025.50   16.370  1013.32   16.322 12.18176 23.11678 
1 1 1   -3    1   46 o  471.756   6.1834  1509.08   39.522  1477.34   55.207  1542.44   56.603  466.671   8.7297  476.841   8.7596 -10.16925 12.36684 
1 1 1   -3    1   47 o  536.706   9.5322  1957.66   69.328  1946.33   97.784  1969.11   98.307  535.144   13.484  538.268   13.477 -3.123474 19.06441 
1 1 1   -3    1   48 o  557.156   13.868  2110.83  104.705   0.0000   0.0000  2110.83  104.705  ?   ?   557.156   13.868      ?      ? 
1 1 1   -3    1   49 o  586.366   10.242  2337.10   81.335  2416.86  117.557  2263.85  112.648  595.940   14.557  576.792   14.412 19.14813 20.48424 
1 1 1   -3    1   50 o  725.688   8.6002  3580.34   84.574  3584.27  119.555  3576.40  119.657  726.090   12.151  725.287   12.174 0.8026733 17.20030 
1 1 1   -3    1   51 o  643.704   7.7974  2815.50   68.009  2864.15   97.107  2768.67   95.276  649.158   11.039  638.250   11.016 10.90784 15.59480 
1 1 1   -3    1   52 o  522.086   6.6756  1850.63   47.219  1900.22   67.604  1803.40   65.981  528.913   9.4321  515.259   9.4495 13.65326 13.35129 
1 1 1   -3    1   53 o  369.842   6.6734  933.756   31.497  942.650   38.632  916.124   54.397  372.655   7.6500  367.029   10.937 5.625916 13.34682 
1 1 1   -3    1   54 o  166.981   4.5471  189.172   10.286  195.602   14.627  182.881   14.468  169.791   6.3571  164.172   6.5031 5.619278 9.094111 
1 1 1   -3    1   55 o  361.839   6.6529  903.308   30.763  848.994   52.370  931.922   38.012  353.204   10.942  370.474   7.5715 -17.27023 13.30580 
1 1 1   -3    1   56 f  395.375   6.8440  1064.45   34.668  1058.95   59.610  1067.27   42.617  394.362   11.154  396.388   7.9337 -2.026276 13.68805 
1 1 1   -3    1   57 o  351.796   6.5094  834.653   29.189  821.501   35.537  861.925   51.173  347.780   7.5404  355.813   10.613 -8.033752 13.01888 
1 1 1   -3    1   58 o  112.775   6.1624   87.003   8.7808   87.967   10.675   84.988   15.441  113.818   6.9210  111.732   10.198 2.085754 12.32479 
1 1 1   -3    1   59 o  265.415   4.7843  478.362   17.205  489.302   24.419  467.575   24.247  268.433   6.7128  262.397   6.8188 6.036621 9.568597 
1 1 1   -3    1   60 o  240.742   4.6810  393.593   15.271  394.201   21.581  392.982   21.612  240.930   6.6101  240.555   6.6298 0.3744507 9.361975 
1 1 1   -3    1   61 o  309.972   5.0640  652.796   21.270  643.773   29.900  662.041   30.265  307.803   7.1682  312.142   7.1550 -4.338196 10.12807 
1 1 1   -3    1   62 o  297.875   5.0052  602.870   20.202  591.823   28.370  614.235   28.774  295.106   7.0941  300.645   7.0626 -5.539703 10.01033 
1 1 1   -3    1   63 o  269.800   5.9277  499.422   20.562  482.346   34.827  508.559   25.476  266.037   9.6604  273.562   6.8722 -7.524628 11.85540 
1 1 1   -3    1   64 o  209.775   4.7069  298.737   13.371  314.763   19.224  283.718   18.610  215.226   6.5913  204.325   6.7213 10.90111 9.413886 
1 1 1   -3    1   65 o  254.910   5.9161  449.922   19.347  467.151   24.051  418.327   32.569  262.157   6.7700  247.664   9.7040 14.49254 11.83224 
1 1 1   -3    1   66 o  239.838   4.7965  391.007   15.588  384.815   21.895  397.372   22.197  237.912   6.7913  241.764   6.7752 -3.852554 9.592952 
1 1 1   -3    1   67 o  288.337   5.0123  565.479   19.584  574.434   27.780  556.633   27.611  290.612   7.0541  286.062   7.1226 4.549133 10.02457 
1 1 1   -3    1   68 o  277.033   6.3248  541.111   22.287  581.444   27.778  468.231   37.340  292.359   7.0114  261.707   10.529 30.65140 12.64967 
1 1 1   -3    1   69 o  218.782   6.0254  330.182   16.660  337.390   20.321  315.402   29.098  222.719   6.7330  214.846   9.9944 7.873459 12.05074 
1 1 1   -3    1   70 o  300.182   6.3155  612.637   24.143  621.516   42.203  608.318   29.435  301.435   10.332  298.930   7.2662 2.504791 12.63101 
1 1 1   -3    1   71 o  125.516   5.2655  107.360   8.9363   98.362   12.542  116.638   12.736  120.149   7.7034  130.883   7.1804 -10.73460 10.53093 
1 1 1   -3    1   72 o   87.047   6.2087   51.799   7.3077   55.950   10.367   47.698   10.303   90.542   8.4489   83.551   9.0998 6.991173 12.41731 
1 1 1   -3    1   73 o  165.814   4.8614  187.266   10.924  186.034   15.425  188.505   15.472  165.266   6.8874  166.363   6.8628 -1.096985 9.722863 
1 1 1   -3    1   74 o  133.284   5.1175  121.119   9.2172  133.507   13.207  109.354   12.870  139.959   6.9633  126.608   7.5012 13.35089 10.23503 
1 1 1   -3    1   75 o   77.445   6.7642   41.163   7.0815   44.876   10.092   37.562   9.9390   80.922   9.2031   73.967   9.9156 6.955116 13.52839 
1 1 1   -3    1   76 o  147.534   4.9891  148.584   9.9746  149.608   14.137  147.570   14.075  148.041   7.0469  147.027   7.0645 1.014252 9.978266 
1 1 1   -3    1   77 o  119.139   6.3902   95.464   9.8691  104.430   16.903   90.827   12.156  123.086   10.134  115.192   7.7874 7.894470 12.78043 
1 1 1   -3    1   78 o   97.703   6.9891   65.089   8.9075   68.762   14.924   63.057   11.102   99.595   11.058   95.810   8.5506 3.785164 13.97823 
1 1 1   -3    1   79 f  147.498   5.9691  141.803   11.262  127.591   13.552  173.526   20.247  136.450   7.3288  158.545   9.4238 -22.09505 11.93818 
1 1 1   -3    1   80 o  110.498   5.5746   83.761   8.3377   79.169   11.483   88.881   12.125  107.299   7.8976  113.696   7.8698 -6.397263 11.14923 
1 1 1   -3    1   81 o   66.949   7.2871   31.220   6.6093   30.632   9.2119   31.843   9.4880   66.310   10.252   67.588   10.359 -1.277809 14.57411 
1 1 1   -3    1   82 o  176.032   6.0185  210.814   13.371  204.494   16.094  224.900   24.026  172.497   6.8849  179.567   9.8735 -7.070099 12.03690 
1 1 1   -3    1   83 o  133.153   5.1922  122.362   9.3554  130.762   13.310  114.160   13.152  137.739   7.1310  128.568   7.5488 9.171341 10.38441 
1 1 1   -3    1   84 o   82.118   7.7091   48.806   8.1160   44.075   13.486   51.493   10.162   78.291   12.712   85.945   8.7253 -7.654259 15.41813 
1 1 1   -3    1   85 o  112.750   5.4153   88.274   8.2702   84.726   11.639   91.891   11.753  110.419   7.7785  115.081   7.5365 -4.661964 10.83070 
1 1 1   -3    1   86 o   67.264   7.2528   32.742   6.3976   28.297   9.1168   37.054   8.9799   61.990   11.268   72.538   9.1353 -10.54727 14.50566 
1 1 1   -3    1   87 o   30.207   8.3520   2.7009   5.3962   9.2268   7.7707  -3.3771   7.4993   36.625   12.759   23.789   10.782 12.83633 16.70402 
1 1 1   -3    1   88 o   47.253   8.4693   16.893   5.7879   8.8653   8.1241   25.168   8.2481   36.264   13.008   58.241   10.850 -21.97681 16.93855 
1 1 1   -3    1   89 o   50.551   8.6768   19.618   5.9219   16.421   8.3337   22.879   8.4167   46.133   12.852   54.969   11.660 -8.836399 17.35355 
1 1 1   -3    1   90 o   46.354   10.131   16.059   6.7064   20.132   11.634   14.032   8.2072   50.004   15.534   42.703   13.009 7.300640 20.26183 
1 1 1   -3    1   91 o   64.370   10.402   33.163   8.8863   37.779   12.972   29.080   12.198   68.917   14.356   59.823   15.058 9.093616 20.80446 
1 1 1   -3    1   92 o  104.123   7.9243   80.373   11.172   84.303   15.863   76.505   15.736  106.847   10.956  101.399   11.452 5.447556 15.84860 
1 1 1   -3    1   93 o   29.314   9.2250  -1.0215   7.3812  -1.3495   10.628  -0.7158   10.259   29.344   13.104   29.285   12.988 0.5918121E-01 18.44993 
1 1 1   -3    1   94 o   37.264   15.006   8.2862   11.639   8.2862   11.639   0.0000   0.0000   37.264   15.006  ?   ?       ?      ? 
1 1 1   -3    2    1 o  303.303   6.3780  623.436   26.215  623.436   26.215   0.0000   0.0000  303.303   6.3780  ?   ?       ?      ? 
1 1 1   -3    2    2 o  355.960   4.9327  858.703   23.794  852.608   33.537  864.880   33.763  354.688   6.9774  357.231   6.9744 -2.543549 9.865392 
1 1 1   -3    2    3 f  165.637   4.1439  188.446   8.1489  191.236   9.5023  180.690   15.843  167.992   4.1740  163.281   7.1600 4.711441 8.287818 
1 1 1   -3    2    4 o  462.071   5.8824  1447.09   36.833  1433.93   51.875  1460.47   52.307  459.952   8.3227  464.190   8.3153 -4.238068 11.76488 
1 1 1   -3    2    5 o  675.084   7.9297  3088.10   72.522  3168.10  104.089  3012.63  101.100  683.575   11.237  666.593   11.192 16.98218 15.85950 
1 1 1   -3    2    6 o  401.957   7.5572  1095.06   41.165  1095.06   41.165   0.0000   0.0000  401.957   7.5572  ?   ?       ?      ? 
1 1 1   -3    2    7 f  657.212   7.7461  2928.05   68.984  2895.84   96.913  2961.14   98.215  653.548   10.943  660.876   10.967 -7.327393 15.49229 
1 1 1   -3    2    8 o  1008.56   11.356  6900.94  155.203  6841.59  218.342  6961.55  220.658  1004.18   16.045  1012.94   16.075 -8.762695 22.71239 
1 1 1   -3    2    9 o  723.160   8.4331  3546.07   82.642  3555.11  117.096  3537.09  116.653  724.078   11.934  722.242   11.919 1.836670 16.86618 
1 1 1   -3    2   10 o  883.347   10.051  5291.69  120.298  5376.25  171.787  5210.32  168.514  890.268   14.239  876.425   14.189 13.84296 20.10154 
1 1 1   -3    2   11 o  1198.84   18.914  9749.82  306.796  9276.32  419.803 10292.59  449.464  1167.73   26.529  1229.96   26.966 -62.22217 37.82814 
1 1 1   -3    2   12 o  859.935   13.894  5009.68  161.702  4772.31  221.967  5278.12  236.046  838.294   19.539  881.577   19.758 -43.28296 27.78814 
1 1 1   -3    2   13 o  432.862   6.8798  1260.13   37.970  1240.80   46.238  1300.15   66.535  427.848   7.9749  437.876   11.213 -10.02783 13.75963 
1 1 1   -3    2   14 o  755.148   8.7552  3867.60   89.593  3888.30  127.074  3847.14  126.338  757.157   12.385  753.139   12.379 4.017700 17.51042 
1 1 1   -3    2   15 o  558.113   6.8149  2111.60   51.538  2140.58   73.438  2083.48   72.347  561.885   9.6447  554.341   9.6308 7.544617 13.62984 
1 1 1   -3    2   16 o  668.635   7.8883  3030.75   71.459  3097.95  102.365  2966.88   99.801  675.859   11.177  661.411   11.135 14.44897 15.77655 
1 1 1   -3    2   17 o  776.825   9.0021  4093.95   94.762  4057.00  133.276  4131.73  134.762  773.281   12.718  780.369   12.743 -7.087891 18.00423 
1 1 1   -3    2   18 o  565.118   8.4575  2160.25   60.841  2148.06   74.149  2185.37  106.436  562.809   9.7222  567.427   13.842 -4.618408 16.91501 
1 1 1   -3    2   19 o  944.754   13.120  6069.52  158.434  6067.95  274.055  6070.30  194.168  944.107   21.421  945.401   15.156 -1.293823 26.24016 
1 1 1   -3    2   20 o  742.846   17.280  3751.95  173.948  3751.95  173.948   0.0000   0.0000  742.846   17.280  ?   ?       ?      ? 
1 1 1   -3    2   21 o  475.708   6.0669  1534.06   39.101  1499.30   54.589  1570.68   56.033  470.178   8.5677  481.239   8.5921 -11.06073 12.13378 
1 1 1   -3    2   22 o  595.629   7.1997  2407.10   58.109  2382.83   81.645  2432.01   82.723  592.589   10.167  598.669   10.197 -6.080383 14.39930 
1 1 1   -3    2   23 o  413.802   5.5260  1161.22   30.986  1151.71   43.612  1170.91   44.034  412.093   7.8096  415.512   7.8202 -3.419403 11.05196 
1 1 1   -3    2   24 o  384.271   5.2843  1001.30   27.516  1015.20   39.125  987.700   38.706  386.910   7.4621  381.632   7.4842 5.277710 10.56869 
1 1 1   -3    2   25 o  296.324   4.6108  595.249   18.513  584.467   25.993  606.350   26.374  293.601   6.5331  299.047   6.5082 -5.446594 9.221602 
1 1 1   -3    2   26 o  397.721   5.4094  1072.75   29.155  1072.35   41.198  1073.15   41.264  397.647   7.6453  397.795   7.6548 -0.1475525 10.81880 
1 1 1   -3    2   27 o  502.629   8.9725  1713.77   61.115  1713.77   61.115   0.0000   0.0000  502.629   8.9725  ?   ?       ?      ? 
1 1 1   -3    2   28 o  347.531   5.0157  818.682   23.618  837.715   33.688  800.284   33.122  351.503   7.0723  343.559   7.1143 7.944031 10.03148 
1 1 1   -3    2   29 o  415.899   6.8493  1173.98   36.399  1171.33   62.988  1175.30   44.599  415.469   11.188  416.328   7.9051 -0.8592834 13.69866 
1 1 1   -3    2   30 o  492.203   7.7075  1662.33   48.796  1582.83   82.285  1705.46   60.602  482.919   12.574  501.488   8.9175 -18.56885 15.41496 
1 1 1   -3    2   31 o  280.805   6.5007  534.490   24.737   0.0000   0.0000  534.490   24.737  ?   ?   280.805   6.5007      ?      ? 
1 1 1   -3    2   32 o  527.524   8.0297  1857.87   53.667  1806.02   64.782  1971.29   95.816  516.080   9.2630  538.969   13.119 -22.88818 16.05941 
1 1 1   -3    2   33 o  673.666   9.7957  3100.56   84.764  3145.75  104.793  3015.04  144.160  680.996   11.355  666.336   15.965 14.66003 19.59147 
1 1 1   -3    2   34 o  308.740   4.7863  646.109   20.025  651.031   28.349  641.209   28.290  309.914   6.7501  307.566   6.7874 2.347412 9.572520 
1 1 1   -3    2   35 o  630.835   9.3301  2714.82   75.363  2745.31   92.779  2655.69  129.208  636.223   10.761  625.447   15.245 10.77557 18.66011 
1 1 1   -3    2   36 o  767.445   10.964  3972.92  106.873  3925.49  129.788  4072.82  188.357  760.641   12.591  774.249   17.952 -13.60803 21.92774 
1 1 1   -3    2   37 o  759.553   8.8644  3914.34   91.241  3908.45  128.820  3920.26  129.250  758.981   12.525  760.125   12.548 -1.144104 17.72887 
1 1 1   -3    2   38 o  449.135   7.2537  1366.69   41.667  1372.39   72.087  1363.83   51.061  449.767   11.827  448.503   8.4012 1.264130 14.50740 
1 1 1   -3    2   39 o  493.796   7.7329  1642.49   48.661  1687.82   85.269  1620.60   59.257  498.719   12.617  488.873   8.9446 9.846252 15.46588 
1 1 1   -3    2   40 o  514.238   6.5142  1793.24   45.394  1782.38   63.896  1804.31   64.502  512.667   9.1972  515.809   9.2278 -3.141907 13.02845 
1 1 1   -3    2   41 o  448.994   5.9450  1366.94   36.171  1357.61   50.903  1376.44   51.408  447.448   8.3950  450.540   8.4200 -3.092010 11.88997 
1 1 1   -3    2   42 o  983.943   11.177  6577.53  149.009  6478.01  208.468  6681.50  213.067  976.345   15.756  991.542   15.857 -15.19763 22.35413 
1 1 1   -3    2   43 o  930.224   13.036  5893.24  155.175  5902.31  190.470  5875.33  267.595  931.962   15.082  928.487   21.268 3.475159 26.07236 
1 1 1   -3    2   44 o  384.222   6.6566  990.757   32.546  1032.50   57.380  970.957   39.518  390.047   10.856  378.396   7.7067 11.65137 13.31322 
1 1 1   -3    2   45 o  560.635   6.9776  2131.43   52.996  2077.97   73.864  2188.16   76.079  553.395   9.8495  567.875   9.8862 -14.47980 13.95529 
1 1 1   -3    2   46 o  502.806   7.9008  1722.77   50.958  1696.49   87.189  1736.40   62.801  499.719   12.875  505.892   9.1606 -6.173584 15.80153 
1 1 1   -3    2   47 f  364.352   6.4608  887.773   30.007  938.914   52.902  863.513   36.435  371.891   10.497  356.814   7.5352 15.07767 12.92164 
1 1 1   -3    2   48 f  243.632   4.5942  402.419   15.159  421.867   21.620  383.613   21.261  249.424   6.3964  237.841   6.5964 11.58325 9.188432 
1 1 1   -3    2   49 o  458.207   7.3796  1400.06   42.860  1355.17   51.713  1498.55   76.597  446.866   8.5396  469.547   12.038 -22.68066 14.75925 
1 1 1   -3    2   50 o  393.999   6.8534  1078.14   34.871  1141.31   43.925  970.468   57.346  410.110   7.9037  377.888   11.198 32.22299 13.70671 
1 1 1   -3    2   51 o  486.913   6.3431  1607.67   41.826  1681.12   60.425  1540.10   57.954  497.577   8.9613  476.248   8.9798 21.32956 12.68626 
1 1 1   -3    2   52 o  331.912   6.3236  745.868   26.628  741.611   32.352  754.807   46.887  330.583   7.2217  333.241   10.383 -2.657593 12.64721 
1 1 1   -3    2   53 o  340.100   5.1776  785.095   23.862  790.661   33.724  779.514   33.768  341.310   7.2913  338.891   7.3530 2.419312 10.35518 
1 1 1   -3    2   54 o  165.337   4.4800  185.480   10.038  185.209   14.165  185.753   14.226  165.216   6.3267  165.458   6.3446 -0.2417145 8.959998 
1 1 1   -3    2   55 o  356.521   6.6028  883.221   30.297  799.748   50.276  930.820   37.965  342.799   10.823  370.243   7.5668 -27.44354 13.20565 
1 1 1   -3    2   56 o  411.593   7.0706  1161.04   37.284  1126.02   63.687  1179.31   45.988  406.555   11.560  416.631   8.1453 -10.07611 14.14122 
1 1 1   -3    2   57 o  254.468   4.7171  439.601   16.265  446.106   23.051  433.151   22.954  256.345   6.6357  252.591   6.7060 3.754715 9.434131 
1 1 1   -3    2   58 o  204.522   4.5647  283.983   12.650  289.865   17.918  278.140   17.860  206.636   6.3989  202.407   6.5114 4.229340 9.129362 
1 1 1   -3    2   59 o  256.208   4.7563  445.771   16.514  443.130   23.310  448.431   23.398  255.445   6.7338  256.970   6.7190 -1.524765 9.512582 
1 1 1   -3    2   60 o  207.367   5.5702  289.928   14.831  299.775   25.628  284.970   18.185  209.887   9.0106  204.846   6.5511 5.040573 11.14035 
1 1 1   -3    2   61 o  202.499   6.5230  279.485   17.880  290.245   25.060  268.329   25.518  206.501   8.9554  198.497   9.4867 8.004150 13.04590 
1 1 1   -3    2   62 o  318.882   7.2767  693.605   31.433  713.146   44.347  673.877   44.559  323.431   10.118  314.334   10.461 9.096954 14.55340 
1 1 1   -3    2   63 o  204.961   4.6775  285.463   12.987  295.273   18.416  275.759   18.317  208.473   6.5188  201.450   6.7097 7.022659 9.354921 
1 1 1   -3    2   64 o  299.034   5.0292  607.609   20.374  592.019   28.418  624.097   29.226  295.091   7.1064  302.978   7.1182 -7.887634 10.05836 
1 1 1   -3    2   65 o  197.993   5.6347  264.362   14.289  259.456   17.472  274.275   24.834  195.383   6.5987  200.603   9.1354 -5.219650 11.26936 
1 1 1   -3    2   66 f  224.806   5.6845  335.678   16.322  320.060   19.780  369.002   28.893  216.974   6.7273  232.639   9.1651 -15.66461 11.36902 
1 1 1   -3    2   67 o  277.789   6.1532  526.810   21.698  528.419   26.441  523.493   37.973  278.728   7.0001  276.850   10.121 1.878723 12.30632 
1 1 1   -3    2   68 o  243.241   5.9942  392.833   18.383  375.942   22.028  431.581   33.364  235.090   6.9144  251.392   9.7935 -16.30260 11.98844 
1 1 1   -3    2   69 o  215.661   6.7030  316.351   19.589  316.351   19.589   0.0000   0.0000  215.661   6.7030  ?   ?       ?      ? 
1 1 1   -3    2   70 o   95.244   5.9634   61.789   7.6901   65.527   11.069   58.301   10.691   98.033   8.3324   92.455   8.5335 5.577629 11.92679 
1 1 1   -3    2   71 o  185.373   5.9393  236.014   13.968  229.831   24.343  239.049   17.055  183.323   9.7987  187.422   6.7148 -4.098862 11.87867 
1 1 1   -3    2   72 o  304.239   5.1709  629.303   21.292  588.823   29.401  673.944   30.875  293.958   7.3807  314.521   7.2440 -20.56320 10.34171 
1 1 1   -3    2   73 o  374.040   7.9546  954.775   40.320  954.775   40.320   0.0000   0.0000  374.040   7.9546  ?   ?       ?      ? 
1 1 1   -3    2   74 o  327.326   5.3251  731.096   23.620  727.184   33.315  735.051   33.494  326.446   7.5309  328.207   7.5308 -1.761139 10.65021 
1 1 1   -3    2   75 o  222.615   4.8935  337.787   14.756  324.405   20.587  351.924   21.160  218.075   6.9664  227.156   6.8741 -9.081314 9.786964 
1 1 1   -3    2   76 o  140.739   6.1196  132.712   11.114  145.730   19.244  126.198   13.613  145.582   9.7547  135.897   7.3922 9.684509 12.23925 
1 1 1   -3    2   77 o   70.294   8.5490   31.710   7.6323   47.400   13.409   24.192   9.2826   82.614   11.978   57.975   12.202 24.63976 17.09794 
1 1 1   -3    2   78 o  159.697   4.9526  174.485   10.715  170.067   15.157  178.899   15.150  157.656   7.0945  161.738   6.9123 -4.082077 9.905181 
1 1 1   -3    2   79 o  146.946   5.0500  147.958   10.052  142.975   14.179  152.995   14.254  144.434   7.2440  149.457   7.0379 -5.022781 10.09992 
1 1 1   -3    2   80 o  150.173   6.4166  161.583   12.094  172.916   14.891  139.623   20.729  158.817   6.9192  141.528   10.808 17.28844 12.83320 
1 1 1   -3    2   81 o  124.823   6.6901  109.584   10.461  112.047   12.683  104.343   18.504  127.648   7.3320  121.998   11.192 5.650299 13.38012 
1 1 1   -3    2   82 o   45.560   9.0913   15.113   6.2056   21.415   8.6082   8.2948   8.9542   54.027   12.063   37.093   13.605 16.93427 18.18269 
1 1 1   -3    2   83 o   94.642   5.9035   62.040   7.5212   52.880   10.377   72.176   10.916   87.177   8.7843  102.107   7.8892 -14.93018 11.80691 
1 1 1   -3    2   84 o   94.377   7.0597   60.620   8.6231   69.779   14.946   56.051   10.558   99.114   11.127   89.640   8.6912 9.473801 14.11938 
1 1 1   -3    2   85 o  114.973   6.5121   91.959   9.6416   95.851   16.542   89.957   11.865  116.179   10.507  113.766   7.6964 2.413612 13.02426 
1 1 1   -3    2   86 o   57.487   8.1626   24.334   6.2345   29.466   8.9114   19.414   8.7254   64.338   10.221   50.636   12.730 13.70239 16.32521 
1 1 1   -3    2   87 o   97.095   5.7839   66.116   7.6000   61.545   10.601   70.948   10.901   93.570   8.3608  100.620   7.9946 -7.050026 11.56787 
1 1 1   -3    2   88 o   93.799   5.8476   62.330   7.3870   68.229   10.282   56.039   10.619   98.654   7.6912   88.944   8.8105 9.709755 11.69528 
1 1 1   -3    2   89 o   53.618   9.0241   24.594   7.0528   9.4097   11.746   33.154   8.8196   39.226   15.302   68.010   9.5695 -28.78448 18.04813 
1 1 1   -3    2   90 o   42.980   9.6976   11.108   6.5950   24.434   11.316   4.2538   8.1156   55.074   14.832   30.887   12.498 24.18696 19.39520 
1 1 1   -3    2   91 o   47.618   9.9266   18.821   7.0243   12.398   11.955   22.208   8.6809   41.682   15.639   53.554   12.230 -11.87166 19.85315 
1 1 1   -3    2   92 o   70.818   10.399   40.441   9.6484   39.566   13.389   41.386   13.916   70.105   14.569   71.531   14.842 -1.426018 20.79800 
1 1 1   -3    2   93 o   40.208   15.355   11.415   11.646   11.415   11.646   0.0000   0.0000   40.208   15.355  ?   ?       ?      ? 
1 1 1   -3    2   94 o   37.529   15.008   8.7434   11.555   8.7434   11.555   0.0000   0.0000   37.529   15.008  ?   ?       ?      ? 
1 1 1   -3    2   95 o   44.100   16.074   15.921   12.470   15.921   12.470   0.0000   0.0000   44.100   16.074  ?   ?       ?      ? 
1 1 1   -3    3    2 o  282.761   4.3864  541.604   16.804  525.571   23.497  558.387   24.040  278.479   6.2264  287.042   6.1802 -8.562897 8.772863 
1 1 1   -3    3    3 o  326.506   4.7251  722.459   20.906  714.477   29.436  730.583   29.697  324.686   6.6900  328.326   6.6747 -3.639343 9.450266 
1 1 1   -3    3    4 f  494.816   6.2078  1657.97   41.604  1719.69   59.984  1600.75   57.753  503.681   8.7882  485.951   8.7700 17.73022 12.41555 
1 1 1   -3    3    5 o  485.622   12.157  1599.23   80.003   0.0000   0.0000  1599.23   80.003  ?   ?   485.622   12.157      ?      ? 
1 1 1   -3    3    6 o  509.931   7.7374  1763.06   50.479  1763.01   61.912  1763.17   87.185  509.978   8.9586  509.885   12.618 0.9210205E-01 15.47478 
1 1 1   -3    3    7 o  448.651   7.0206  1342.89   39.993  1304.29   48.362  1426.39   71.127  438.658   8.1357  458.644   11.444 -19.98618 14.04115 
1 1 1   -3    3    8 o  455.193   7.1040  1386.05   41.119  1352.05   49.839  1458.52   72.765  446.614   8.2348  463.772   11.578 -17.15872 14.20792 
1 1 1   -3    3    9 o  772.120   12.674  3985.37  131.542  3550.34  173.278  4577.08  202.085  723.173   17.681  821.066   18.162 -97.89337 25.34769 
1 1 1   -3    3   10 o  901.600   20.534  5522.52  250.878  5522.52  250.878   0.0000   0.0000  901.600   20.534  ?   ?       ?      ? 
1 1 1   -3    3   11 o  489.971   6.1707  1627.42   40.972  1617.27   57.756  1637.71   58.131  488.432   8.7260  491.510   8.7275 -3.077545 12.34149 
1 1 1   -3    3   12 o  748.843   8.7013  3801.27   88.271  3901.18  126.782  3707.27  122.973  758.385   12.336  739.301   12.275 19.08405 17.40261 
1 1 1   -3    3   14 o  734.523   12.135  3659.93  120.789   0.0000   0.0000  3659.93  120.789  ?   ?   734.523   12.135      ?      ? 
1 1 1   -3    3   15 o  874.056   9.9906  5180.53  118.278  5345.47  170.501  5027.51  164.218  887.451   14.177  860.662   14.080 26.78833 19.98123 
1 1 1   -3    3   16 o  739.107   10.549  3664.02   98.594  3586.25  118.997  3834.31  176.085  727.017   12.078  751.197   17.298 -24.17999 21.09727 
1 1 1   -3    3   17 o  530.088   8.0940  1919.80   54.951  1947.92   67.728  1865.62   94.003  535.932   9.3255  524.245   13.232 11.68713 16.18802 
1 1 1   -3    3   18 o  537.381   8.1175  1958.03   55.796  1964.74   96.487  1954.66   68.391  537.935   13.236  536.827   9.4012 1.107849 16.23498 
1 1 1   -3    3   19 o  651.828   9.4828  2883.92   79.032  2890.34  136.723  2880.70   96.852  652.123   15.471  651.533   10.970 0.5900879 18.96567 
1 1 1   -3    3   20 o  604.141   7.2809  2476.20   59.602  2441.03   83.572  2512.61   85.026  599.777   10.282  608.505   10.311 -8.728577 14.56171 
1 1 1   -3    3   21 o  360.163   5.0873  879.344   24.826  861.567   34.770  897.830   35.457  356.451   7.1983  363.875   7.1907 -7.424377 10.17453 
1 1 1   -3    3   22 o  354.005   5.0486  848.997   24.208  883.999   34.826  816.275   33.673  361.059   7.1178  346.951   7.1618 14.10776 10.09726 
1 1 1   -3    3   23 o  443.764   8.2136  1335.74   49.393  1335.74   49.393   0.0000   0.0000  443.764   8.2136  ?   ?       ?      ? 
1 1 1   -3    3   24 o  430.202   8.0573  1255.27   46.973  1255.27   46.973   0.0000   0.0000  430.202   8.0573  ?   ?       ?      ? 
1 1 1   -3    3   25 o  507.750   9.0420  1748.98   62.216  1748.98   62.216   0.0000   0.0000  507.750   9.0420  ?   ?       ?      ? 
1 1 1   -3    3   26 o  294.821   4.6250  589.284   18.478  587.671   26.107  590.903   26.157  294.416   6.5435  295.225   6.5381 -0.8085022 9.250082 
1 1 1   -3    3   27 o  467.627   6.0381  1482.61   38.258  1453.29   53.577  1513.11   54.648  462.911   8.5408  472.343   8.5375 -9.431854 12.07619 
1 1 1   -3    3   28 o  574.728   8.6132  2222.36   62.868  2297.66  111.056  2186.85   76.264  581.664   14.089  567.792   9.9116 13.87250 17.22639 
1 1 1   -3    3   29 o  647.145   7.7291  2841.09   67.782  2831.34   95.618  2850.93   96.099  646.030   10.922  648.260   10.939 -2.229736 15.45830 
1 1 1   -3    3   30 o  686.252   8.1164  3194.85   75.479  3211.95  107.050  3177.95  106.439  688.077   11.481  684.427   11.476 3.650269 16.23284 
1 1 1   -3    3   31 o  1010.66   11.442  6934.14  156.669  7083.07  224.431  6792.59  218.804  1021.24   16.217  1000.09   16.145 21.14935 22.88343 
1 1 1   -3    3   32 o  862.936   12.104  4953.56  131.462  4785.25  157.570  5339.03  238.458  839.691   13.848  886.181   19.857 -46.48987 24.20829 
1 1 1   -3    3   33 o  610.248   7.4062  2524.38   61.232  2590.25   87.723  2461.79   85.509  618.007   10.475  602.488   10.473 15.51910 14.81238 
1 1 1   -3    3   34 o  423.181   6.9964  1209.10   37.606  1199.33   45.709  1229.56   66.158  420.607   8.0194  425.754   11.467 -5.147308 13.99280 
1 1 1   -3    3   35 o  1003.45   11.369  6835.77  154.580  6945.39  220.710  6730.22  216.567  1011.34   16.104  995.555   16.053 15.78210 22.73835 
1 1 1   -3    3   36 o  919.504   10.493  5736.88  130.711  5618.35  182.273  5862.37  187.548  909.738   14.785  929.271   14.893 -19.53308 20.98578 
1 1 1   -3    3   37 f  530.957   6.6700  1911.64   47.991  1927.54   68.078  1895.94   67.663  533.152   9.4227  528.763   9.4430 4.388733 13.34004 
1 1 1   -3    3   38 o  217.344   6.0500  319.328   17.790  344.691   25.937  296.795   24.447  225.470   8.4888  209.217   8.6227 16.25282 12.10005 
1 1 1   -3    3   39 o  267.611   6.4282  485.729   23.307  474.421   32.975  497.016   32.946  264.495   9.1999  270.726   8.9804 -6.230713 12.85636 
1 1 1   -3    3   40 f  459.938   8.5747  1434.51   53.444   0.0000   0.0000  1434.51   53.444  ?   ?   459.938   8.5747      ?      ? 
1 1 1   -3    3   41 o  641.386   7.7315  2790.46   67.188  2744.05   93.996  2838.94   96.076  635.938   10.907  646.835   10.961 -10.89734 15.46296 
1 1 1   -3    3   42 o  768.266   8.9775  4007.47   93.465  4010.36  132.171  4004.58  132.189  768.544   12.691  767.988   12.702 0.5558472 17.95507 
1 1 1   -3    3   43 o  514.358   6.5476  1794.08   45.630  1832.23   65.244  1757.57   63.841  519.708   9.2640  509.009   9.2553 10.69849 13.09510 
1 1 1   -3    3   44 o  411.899   5.6736  1150.38   31.665  1131.92   44.397  1169.50   45.176  408.535   8.0195  415.262   8.0279 -6.726715 11.34723 
1 1 1   -3    3   45 o  605.138   9.0867  2509.35   70.696  2417.87  119.695  2558.36   87.609  596.337   14.812  613.940   10.530 -17.60284 18.17335 
1 1 1   -3    3   46 o  575.262   7.1195  2245.99   55.498  2226.84   78.021  2265.61   78.960  572.782   10.052  577.742   10.085 -4.960449 14.23902 
1 1 1   -3    3   47 o  428.818   5.8235  1247.05   33.834  1221.29   47.271  1274.10   48.448  424.281   8.2216  433.355   8.2499 -9.074249 11.64710 
1 1 1   -3    3   48 o  560.683   6.9925  2132.82   53.108  2074.52   73.863  2195.21   76.414  552.761   9.8607  568.606   9.9170 -15.84497 13.98500 
1 1 1   -3    3   49 o  263.277   4.7022  469.381   16.762  446.376   23.197  494.521   24.250  256.536   6.6726  270.018   6.6272 -13.48215 9.404430 
1 1 1   -3    3   50 o  475.905   8.8221  1537.68   56.895  1537.68   56.895   0.0000   0.0000  475.905   8.8221  ?   ?       ?      ? 
1 1 1   -3    3   51 o  478.559   7.7450  1559.21   47.220  1563.41   57.721  1550.73   82.105  479.813   8.8772  477.306   12.694 2.507477 15.48991 
1 1 1   -3    3   52 o  397.710   7.9022  1073.82   42.589  1073.82   42.589   0.0000   0.0000  397.710   7.9022  ?   ?       ?      ? 
1 1 1   -3    3   53 o  363.859   5.3444  898.806   26.352  900.825   37.212  896.775   37.322  364.271   7.5384  363.447   7.5779 0.8234253 10.68887 
1 1 1   -3    3   54 o  361.815   5.3472  888.088   26.206  859.426   36.431  918.822   37.725  355.771   7.5564  367.858   7.5677 -12.08743 10.69440 
1 1 1   -3    3   55 o  438.617   7.2972  1298.71   40.735  1339.13   71.597  1279.37   49.533  443.315   11.918  433.920   8.4238 9.395050 14.59437 
1 1 1   -3    3   56 o  296.174   6.0203  584.300   22.634  629.915   40.397  563.430   27.325  304.283   9.7970  288.065   6.9998 16.21832 12.04069 
1 1 1   -3    3   57 o  309.848   5.0097  651.879   21.032  667.688   29.945  636.488   29.547  313.559   7.0473  306.138   7.1222 7.421051 10.01948 
1 1 1   -3    3   58 o  564.055   7.0825  2166.28   54.137  2174.53   76.625  2158.05   76.497  565.131   10.005  562.980   10.027 2.151367 14.16509 
1 1 1   -3    3   59 o  169.191   4.5752  194.278   10.486  186.663   14.660  202.255   15.003  165.795   6.5252  172.587   6.4151 -6.791870 9.150436 
1 1 1   -3    3   60 o  311.939   5.0531  660.905   21.355  679.990   30.533  642.628   29.880  316.349   7.1223  307.530   7.1698 8.819458 10.10611 
1 1 1   -3    3   61 o  228.158   9.1632  354.454   28.331  354.454   28.331   0.0000   0.0000  228.158   9.1632  ?   ?       ?      ? 
1 1 1   -3    3   62 o  156.773   4.6820  166.984   9.9449  171.415   14.112  162.612   14.016  158.843   6.5562  154.702   6.6858 4.140869 9.363971 
1 1 1   -3    3   63 o  126.255   4.9409  108.362   8.4493  112.826   11.997  103.968   11.902  128.842   6.8710  123.667   7.1020 5.174324 9.881795 
1 1 1   -3    3   64 o  275.663   4.9458  516.428   18.472  526.692   26.458  506.666   25.801  278.332   7.0146  272.994   6.9742 5.337280 9.891629 
1 1 1   -3    3   65 o  274.340   9.6983  513.457   36.055  513.457   36.055   0.0000   0.0000  274.340   9.6983  ?   ?       ?      ? 
1 1 1   -3    3   66 o  299.637   7.1881  610.745   29.187  610.745   29.187   0.0000   0.0000  299.637   7.1881  ?   ?       ?      ? 
1 1 1   -3    3   67 o  265.767   6.9624  480.446   25.075  480.446   25.075   0.0000   0.0000  265.767   6.9624  ?   ?       ?      ? 
1 1 1   -3    3   68 o  221.403   6.7845  333.426   20.355  333.426   20.355   0.0000   0.0000  221.403   6.7845  ?   ?       ?      ? 
1 1 1   -3    3   69 o  334.206   5.3033  760.203   24.013  740.525   33.549  780.872   34.384  329.772   7.5073  338.640   7.4927 -8.867859 10.60658 
1 1 1   -3    3   70 o  207.034   4.8261  291.595   13.536  281.545   18.968  302.022   19.322  203.393   6.8819  210.675   6.7678 -7.282043 9.652168 
1 1 1   -3    3   71 o  251.568   6.0943  437.668   19.594  414.519   33.404  449.810   24.193  246.103   10.016  257.032   6.9457 -10.92937 12.18861 
1 1 1   -3    3   72 o  179.171   4.8463  218.613   11.766  221.720   16.706  215.555   16.574  180.437   6.8324  177.905   6.8749 2.532089 9.692597 
1 1 1   -3    3   73 o  136.015   5.0985  126.115   9.3931  131.361   13.367  120.997   13.202  138.821   7.1056  133.208   7.3136 5.612793 10.19693 
1 1 1   -3    3   74 o  205.648   4.8606  288.337   13.546  287.214   19.151  289.461   19.162  205.245   6.8854  206.051   6.8624 -0.8057556 9.721223 
1 1 1   -3    3   75 o  211.648   6.0152  314.297   16.304  282.175   27.238  332.234   20.354  202.611   9.9203  220.684   6.8059 -18.07320 12.03050 
1 1 1   -3    3   76 o   56.414   8.8639   22.938   6.6014   21.936   9.2568   23.975   9.4168   55.121   12.659   57.708   12.410 -2.586922 17.72786 
1 1 1   -3    3   77 o  100.271   5.7768   68.967   7.8456   69.154   10.932   68.767   11.266  100.432   8.0324  100.110   8.3045 0.3215103 11.55355 
1 1 1   -3    3   78 o  143.560   5.1202  141.161   9.9598  143.822   14.100  138.510   14.070  144.924   7.1796  142.197   7.3019 2.727371 10.24034 
1 1 1   -3    3   79 o   67.055   7.5406   31.741   6.6500   27.314   9.3000   36.373   9.5125   61.625   11.561   72.486   9.6841 -10.86098 15.08110 
1 1 1   -3    3   80 o   55.958   12.149   22.813   8.9485   22.813   8.9485   0.0000   0.0000   55.958   12.149  ?   ?       ?      ? 
1 1 1   -3    3   81 o   94.810   7.0445   63.132   8.5615   64.168   10.584   61.172   14.561   96.395   8.1027   93.225   11.526 3.170258 14.08898 
1 1 1   -3    3   82 o   72.365   6.7989   36.528   6.5609   28.518   9.0166   45.541   9.5647   63.749   10.437   80.982   8.7157 -17.23305 13.59784 
1 1 1   -3    3   83 o   88.825   5.9698   54.851   7.1854   54.194   10.097   55.524   10.227   88.287   8.4397   89.363   8.4455 -1.075226 11.93963 
1 1 1   -3    3   84 o  132.603   5.2318  121.671   9.3860  112.339   13.055  131.656   13.504  127.278   7.5692  137.928   7.2246 -10.64977 10.46365 
1 1 1   -3    3   85 o   82.341   8.4026   51.907   8.3435   41.910   14.081   57.316   10.357   74.170   14.530   90.513   8.4442 -16.34364 16.80516 
1 1 1   -3    3   86 o   73.268   6.7309   38.043   6.6452   33.058   9.2550   43.348   9.5473   68.138   10.023   78.398   8.9865 -10.25999 13.46179 
1 1 1   -3    3   87 o   42.037   8.3214   11.957   5.8051   1.4368   8.0868   23.142   8.3383   28.487   12.078   55.588   11.450 -27.10106 16.64277 
1 1 1   -3    3   88 o   49.025   10.048   19.063   6.9726   16.796   11.724   20.304   8.6730   46.643   15.688   51.406   12.558 -4.762535 20.09518 
1 1 1   -3    3   89 o   49.216   10.120   19.515   7.0575   16.565   12.176   21.007   8.6608   46.233   15.978   52.198   12.423 -5.965839 20.23968 
1 1 1   -3    3   90 o   52.108   9.8316   18.542   6.9645   33.403   12.383   11.666   8.4230   64.691   14.485   39.525   13.297 25.16579 19.66327 
1 1 1   -3    3   91 o   34.425   9.4868   6.9999   6.4308   3.5478   10.439   9.1115   8.1640   32.739   13.792   36.111   13.029 -3.372261 18.97351 
1 1 1   -3    3   92 o   31.014   9.3040  -1.3511   7.7265   9.5880   10.399 -14.8346   11.545   37.881   14.499   24.146   11.664 13.73516 18.60799 
1 1 1   -3    3   93 o   96.475   12.036   70.574   15.735   70.574   15.735   0.0000   0.0000   96.475   12.036  ?   ?       ?      ? 
1 1 1   -3    3   94 o   67.731   15.532   38.670   13.952   38.670   13.952   0.0000   0.0000   67.731   15.532  ?   ?       ?      ? 
1 1 1   -3    3   95 o   62.395   16.069   33.968   13.669   33.968   13.669   0.0000   0.0000   62.395   16.069  ?   ?       ?      ? 
1 1 1   -3    3   96 o   61.367   16.438   33.888   13.944   33.888   13.944   0.0000   0.0000   61.367   16.438  ?   ?       ?      ? 
1 1 1   -3    4    1 o  905.366   10.281  5561.93  126.134  5578.96  178.704  5545.02  178.058  906.747   14.543  903.985   14.535 2.761841 20.56162 
1 1 1   -3    4    2 o  876.337   9.9898  5210.26  118.630  5170.77  166.895  5250.59  168.654  872.982   14.108  879.691   14.148 -6.708923 19.97951 
1 1 1   -3    4    3 o  516.896   6.4223  1810.97   44.981  1841.42   64.173  1781.56   63.066  521.167   9.0864  512.625   9.0785 8.541809 12.84453 
1 1 1   -3    4    4 o  980.133   11.062  6518.38  146.909  6413.63  205.583  6627.70  210.009  972.092   15.606  988.173   15.683 -16.08118 22.12471 
1 1 1   -3    4    5 o  882.428   10.054  5282.69  120.212  5354.75  171.443  5213.00  168.604  888.344   14.241  876.511   14.195 11.83313 20.10749 
1 1 1   -3    4    6 o  661.520   9.5547  2945.42   80.447  2901.43   97.813  3037.38  141.428  654.092   11.035  668.948   15.601 -14.85529 19.10947 
1 1 1   -3    4    7 o  673.089   9.6989  3049.94   83.117  3004.86  101.095  3143.98  146.012  665.630   11.208  680.549   15.832 -14.91913 19.39781 
1 1 1   -3    4    8 o  709.757   8.3261  3416.78   80.080  3394.66  112.849  3439.22  113.656  707.444   11.771  712.071   11.778 -4.626648 16.65218 
1 1 1   -3    4   11 o  845.807   13.704  4855.28  157.075  4855.28  157.075   0.0000   0.0000  845.807   13.704  ?   ?       ?      ? 
1 1 1   -3    4   13 o  532.224   8.1542  1950.56   55.866  2018.48   69.617  1827.70   93.628  545.554   9.4166  518.895   13.315 26.65820 16.30838 
1 1 1   -3    4   14 o  264.738   5.3407  462.013   17.865  440.394   21.428  511.306   32.355  254.889   6.2036  274.588   8.6953 -19.69861 10.68139 
1 1 1   -3    4   15 o  670.508   9.7266  3068.70   83.733  3004.38  142.783  3102.42  103.374  664.874   15.847  676.143   11.282 -11.26837 19.45311 
1 1 1   -3    4   16 o  918.556   20.914  5749.65  260.327  5749.65  260.327   0.0000   0.0000  918.556   20.914  ?   ?       ?      ? 
1 1 1   -3    4   17 o  392.215   10.600  1043.95   56.340  1043.95   56.340   0.0000   0.0000  392.215   10.600  ?   ?       ?      ? 
1 1 1   -3    4   18 o  448.035   5.8301  1361.49   35.397  1361.94   50.059  1361.03   50.059  448.111   8.2436  447.960   8.2463 0.1501465 11.66011 
1 1 1   -3    4   19 o  420.426   5.6006  1198.82   31.908  1199.95   45.151  1197.69   45.100  420.624   7.9211  420.229   7.9197 0.3951416 11.20114 
1 1 1   -3    4   20 o  543.730   6.7252  2006.04   49.553  2003.53   70.041  2008.56   70.117  543.389   9.5118  544.071   9.5101 -0.6819458 13.45048 
1 1 1   -3    4   21 o  504.777   6.3567  1728.12   43.476  1695.74   60.852  1761.87   62.137  499.951   8.9818  509.604   8.9977 -9.653320 12.71342 
1 1 1   -3    4   22 o  289.930   4.5784  569.424   17.979  594.432   25.834  545.937   25.037  296.098   6.4384  283.761   6.5110 12.33734 9.156813 
1 1 1   -3    4   23 o  574.390   9.9374  2238.72   77.351  2238.72   77.351   0.0000   0.0000  574.390   9.9374  ?   ?       ?      ? 
1 1 1   -3    4   24 o  605.829   7.3434  2490.34   60.285  2469.35   84.785  2511.81   85.736  603.248   10.371  608.409   10.399 -5.161255 14.68681 
1 1 1   -3    4   25 o  273.215   4.5158  506.034   16.719  501.655   23.601  510.446   23.688  272.028   6.4023  274.402   6.3702 -2.373688 9.031535 
1 1 1   -3    4   26 o  886.669   12.487  5403.46  142.618  5156.74  239.839  5538.42  177.388  870.327   20.335  903.011   14.496 -32.68439 24.97328 
1 1 1   -3    4   27 o  1089.22   12.246  8063.75  180.749  8075.43  255.827  8052.10  255.408  1090.01   17.319  1088.43   17.316 1.574707 24.49105 
1 1 1   -3    4   28 o  1099.97   12.359  8221.30  184.211  8148.15  258.926  8296.27  262.131  1095.02   17.449  1104.92   17.507 -9.897339 24.71752 
1 1 1   -3    4   30 o  603.613   7.3284  2470.44   59.938  2513.17   85.528  2429.20   84.022  608.741   10.368  598.485   10.360 10.25653 14.65680 
1 1 1   -3    4   31 o  1175.53   16.100  9196.62  237.542  8871.94  284.002  9952.71  433.388  1142.66   18.341  1208.40   26.466 -65.74377 32.19982 
1 1 1   -3    4   32 o  644.205   10.927  2814.72   95.388  2814.72   95.388   0.0000   0.0000  644.205   10.927  ?   ?       ?      ? 
1 1 1   -3    4   33 o  505.909   7.9161  1733.07   50.939  1727.49   62.069  1744.58   89.148  504.755   9.0743  507.063   12.974 -2.307434 15.83229 
1 1 1   -3    4   34 o  788.637   12.935  4222.50  138.179  4101.10  191.924  4353.16  199.103  776.886   18.230  800.388   18.357 -23.50214 25.87094 
1 1 1   -3    4   35 o  769.883   10.970  3992.64  107.359  4116.61  189.166  3933.73  130.393  778.354   17.934  761.412   12.637 16.94220 21.93942 
1 1 1   -3    4   36 o  657.215   7.8678  2929.95   70.071  2942.21   99.287  2917.78   98.906  658.585   11.125  655.846   11.129 2.739136 15.73559 
1 1 1   -3    4   37 o  337.519   5.0515  771.357   23.091  741.300   32.035  803.862   33.314  330.683   7.1487  344.354   7.1390 -13.67154 10.10291 
1 1 1   -3    4   38 o  386.910   6.6705  1026.46   33.214  978.830   55.973  1052.35   41.265  379.846   10.874  393.973   7.7291 -14.12704 13.34100 
1 1 1   -3    4   39 o  505.561   6.4745  1733.11   44.353  1705.93   62.229  1761.18   63.233  501.533   9.1561  509.590   9.1567 -8.057098 12.94909 
1 1 1   -3    4   40 o  628.651   10.753  2681.51   91.605  2681.51   91.605   0.0000   0.0000  628.651   10.753  ?   ?       ?      ? 
1 1 1   -3    4   41 o  609.907   7.4330  2522.79   61.418  2585.45   88.078  2463.50   85.687  617.273   10.529  602.542   10.494 14.73096 14.86591 
1 1 1   -3    4   42 o  867.791   10.013  5108.00  117.648  5331.48  170.794  4906.22  162.292  885.812   14.228  849.771   14.093 36.04028 20.02649 
1 1 1   -3    4   43 o  665.071   9.8163  3039.47   84.079  2893.79  141.381  3119.18  104.582  652.295   15.994  677.846   11.385 -25.55090 19.63265 
1 1 1   -3    4   44 o  356.278   10.495  861.579   50.670  861.579   50.670   0.0000   0.0000  356.278   10.495  ?   ?       ?      ? 
1 1 1   -3    4   45 o  636.655   7.7258  2749.57   66.623  2846.61   95.957  2659.25   92.574  647.489   10.936  625.820   10.916 21.66895 15.45157 
1 1 1   -3    4   46 o  498.014   6.4261  1682.81   43.363  1713.98   61.830  1652.64   60.832  502.552   9.0790  493.476   9.0966 9.075775 12.85210 
1 1 1   -3    4   47 o  292.820   6.8443  581.552   27.159  581.552   27.159   0.0000   0.0000  292.820   6.8443  ?   ?       ?      ? 
1 1 1   -3    4   48 o  570.587   7.0980  2211.07   54.881  2198.13   77.207  2224.30   78.027  568.902   10.015  572.272   10.061 -3.370239 14.19599 
1 1 1   -3    4   49 o  523.555   8.2515  1848.53   54.593  1822.00   65.958  1906.24   97.280  517.964   9.3969  529.146   13.566 -11.18237 16.50307 
1 1 1   -3    4   50 f  203.749   5.4822  284.601   14.350  290.965   17.780  272.713   24.301  207.107   6.3352  200.391   8.9489 6.715591 10.96441 
1 1 1   -3    4   51 o  346.496   5.2242  814.465   24.523  841.055   35.101  789.111   34.276  352.021   7.3581  340.972   7.4180 11.04834 10.44835 
1 1 1   -3    4   52 o  279.418   4.7951  529.646   18.150  549.653   25.914  510.378   25.430  284.600   6.7192  274.236   6.8430 10.36417 9.590280 
1 1 1   -3    4   53 o  199.546   4.5013  270.093   12.170  264.613   17.002  275.849   17.427  197.473   6.3535  201.620   6.3782 -4.147537 9.002691 
1 1 1   -3    4   54 o  333.868   5.1631  756.794   23.358  749.994   32.824  763.771   33.247  332.350   7.2881  335.386   7.3153 -3.036102 10.32619 
1 1 1   -3    4   55 o  377.484   6.7600  978.150   32.745  941.023   55.630  997.832   40.505  371.708   11.044  383.259   7.7988 -11.55069 13.52006 
1 1 1   -3    4   56 o  329.451   6.3136  726.731   26.436  770.595   46.895  706.299   32.006  336.431   10.286  322.470   7.3241 13.96078 12.62712 
1 1 1   -3    4   57 o  318.948   7.1732  690.992   31.004  690.992   31.004   0.0000   0.0000  318.948   7.1732  ?   ?       ?      ? 
1 1 1   -3    4   58 o  482.468   6.3603  1583.80   41.584  1589.40   58.823  1578.20   58.794  483.323   8.9810  481.612   9.0086 1.710632 12.72055 
1 1 1   -3    4   59 o  258.948   5.7899  449.867   19.187  474.557   33.534  437.849   23.395  264.012   9.3729  253.884   6.8001 10.12787 11.57979 
1 1 1   -3    4   60 o  122.202   5.9466  102.941   9.3716   97.103   15.670  106.192   11.693  119.387   9.6855  125.016   6.9023 -5.629593 11.89326 
1 1 1   -3    4   61 o  203.025   6.5085  280.017   17.907  280.017   17.907   0.0000   0.0000  203.025   6.5085  ?   ?       ?      ? 
1 1 1   -3    4   62 o  160.152   4.7257  173.764   10.192  202.515   14.852  148.178   14.011  172.657   6.3478  147.646   7.0025 25.01028 9.451446 
1 1 1   -3    4   63 o  289.710   4.9773  569.695   19.520  607.442   28.198  534.966   27.048  298.920   6.9612  280.500   7.1157 18.41956 9.954528 
1 1 1   -3    4   64 o  247.138   5.9814  416.410   18.697  417.188   22.701  414.768   32.970  247.727   6.7621  246.549   9.8681 1.178009 11.96273 
1 1 1   -3    4   65 o  218.708   5.9421  323.427   16.344  319.430   19.676  332.324   29.354  216.757   6.6985  220.659   9.8165 -3.902206 11.88417 
1 1 1   -3    4   66 o  262.323   5.9406  470.772   20.046  475.005   24.791  462.775   34.072  264.269   6.9225  260.377   9.6563 3.891541 11.88130 
1 1 1   -3    4   67 o  210.061   4.8488  300.086   13.801  295.099   19.350  305.250   19.690  208.285   6.8555  211.837   6.8590 -3.551743 9.697654 
1 1 1   -3    4   68 o  148.209   4.9559  149.484   9.9528  147.806   14.109  151.147   14.042  147.375   7.0646  149.042   6.9525 -1.666855 9.911855 
1 1 1   -3    4   69 o  177.029   5.8311  211.722   13.319  220.046   22.803  207.412   16.408  179.484   9.3754  174.574   6.9358 4.910492 11.66210 
1 1 1   -3    4   70 o  187.219   6.0715  237.176   14.381  233.586   17.392  244.935   25.569  185.234   6.9287  189.204   9.9723 -3.969513 12.14303 
1 1 1   -3    4   71 o  108.901   6.9247   79.920   9.6725   85.056   16.851   77.396   11.812  111.304   11.172  106.498   8.1848 4.805916 13.84942 
1 1 1   -3    4   72 o  144.040   6.4158  147.782   11.524  126.020   19.943  158.692   14.120  135.454   10.865  152.627   6.8271 -17.17300 12.83160 
1 1 1   -3    4   73 o  147.241   5.0165  147.421   9.9726  166.183   14.496  130.563   13.741  156.142   6.8511  138.340   7.3296 17.80154 10.03295 
1 1 1   -3    4   74 o  139.498   6.1650  132.862   11.017  134.559   19.017  132.004   13.517  139.925   10.029  139.070   7.1724 0.8547058 12.32992 
1 1 1   -3    4   75 o  149.760   4.9878  153.157   10.122  151.626   14.264  154.711   14.367  149.004   7.0640  150.516   7.0436 -1.511795 9.975559 
1 1 1   -3    4   76 o  155.066   4.9421  164.539   10.368  174.763   14.630  154.224   14.695  159.956   6.7493  150.176   7.2210 9.780182 9.884158 
1 1 1   -3    4   77 o  105.834   5.6107   76.853   8.0455   77.542   11.308   76.147   11.449  106.329   7.8479  105.340   8.0207 0.9890442 11.22141 
1 1 1   -3    4   78 o  199.037   4.8996  269.882   13.179  245.715   17.952  298.127   19.408  189.404   6.9942  208.671   6.8632 -19.26649 9.799121 
1 1 1   -3    4   79 o   99.433   7.3286   67.595   9.0502   65.844   10.766   71.814   16.712   97.776   8.1249  101.090   12.199 -3.314484 14.65713 
1 1 1   -3    4   80 o  142.426   5.0820  139.079   9.7927  128.765   13.502  150.525   14.224  136.843   7.2812  148.010   7.0916 -11.16702 10.16395 
1 1 1   -3    4   81 o   98.969   6.9505   69.589   8.7699   72.261   10.852   64.560   14.889  102.289   7.8291   95.648   11.487 6.640831 13.90104 
1 1 1   -3    4   82 o  105.807   5.5803   77.521   8.0005   77.886   11.261   77.149   11.368  106.075   7.8342  105.539   7.9487 0.5360489 11.16055 
1 1 1   -3    4   83 o  154.696   5.0069  165.372   10.490  172.513   14.880  158.317   14.790  158.072   6.9464  151.319   7.2128 6.753403 10.01381 
1 1 1   -3    4   84 o   84.537   6.2981   50.049   7.1317   40.630   9.8312   60.510   10.361   75.936   9.5539   93.138   8.2091 -17.20271 12.59628 
1 1 1   -3    4   85 o   45.377   9.1404   16.271   6.9706   0.5361   11.733   24.854   8.6655   32.867   14.249   57.888   11.452 -25.02147 18.28071 
1 1 1   -3    4   86 o   92.359   7.4647   56.572   8.7900   75.857   16.076   48.347   10.498  102.176   11.610   82.542   9.3857 19.63366 14.92934 
1 1 1   -3    4   87 o   60.795   9.4341   32.024   7.6396   15.786   12.998   40.595   9.4429   46.047   16.460   75.543   9.2242 -29.49622 18.86814 
1 1 1   -3    4   88 o   44.467   10.257   15.300   7.0195   13.508   11.729   16.299   8.7621   43.088   15.606   45.846   13.315 -2.757748 20.51441 
1 1 1   -3    4   89 o   57.638   9.7125   25.005   7.2617   31.567   12.178   21.384   9.0456   62.881   14.576   52.396   12.840 10.48537 19.42499 
1 1 1   -3    4   90 o   79.549   9.9430   47.615   10.213   32.208   13.281   69.912   15.977   62.545   15.695   96.552   12.211 -34.00772 19.88606 
1 1 1   -3    4   91 o   25.246   8.4666 -10.4182   7.6976 -12.6989   10.288  -7.5181   11.602   23.173   11.148   27.320   12.746 -4.147100 16.93328 
1 1 1   -3    4   92 o   57.096   11.612   27.546   9.4778   23.685   12.806   32.222   14.094   52.833   16.278   61.360   16.564 -8.527313 23.22368 
1 1 1   -3    4   93 o   64.110   15.700   34.730   13.531   34.730   13.531   0.0000   0.0000   64.110   15.700  ?   ?       ?      ? 
1 1 1   -3    4   94 o   49.835   16.424   21.627   12.863   21.627   12.863   0.0000   0.0000   49.835   16.424  ?   ?       ?      ? 
1 1 1   -3    4   95 o   60.899   16.372   33.024   13.803   33.024   13.803   0.0000   0.0000   60.899   16.372  ?   ?       ?      ? 
1 1 1   -3    4   96 o   42.097   16.169   14.683   12.961   14.683   12.961   0.0000   0.0000   42.097   16.169  ?   ?       ?      ? 
1 1 1   -3    5    1 o  436.086   8.0733  1290.29   47.708  1283.11   67.582  1297.42   67.358  434.875   11.468  437.297   11.367 -2.422485 16.14653 
1 1 1   -3    5    2 o  466.300   8.4575  1475.18   53.436  1443.40   75.067  1507.82   76.084  461.208   12.011  471.393   11.910 -10.18469 16.91500 
1 1 1   -3    5    3 o  673.210   9.7229  3060.86   83.380  3030.54  101.585  3123.46  145.966  668.347   11.216  678.074   15.885 -9.726990 19.44582 
1 1 1   -3    5    4 o  594.880   8.7822  2377.26   66.393  2332.76   80.540  2471.62  117.287  586.443   10.135  603.318   14.346 -16.87555 17.56439 
1 1 1   -3    5    5 o  316.572   5.7467  679.203   23.305  678.537   28.615  680.516   40.166  316.378   6.6742  316.766   9.3569 -0.3880310 11.49334 
1 1 1   -3    5    6 o  632.084   9.2335  2712.56   74.634  2713.38   91.506  2710.94  128.993  632.422   10.677  631.746   15.067 0.6765137 18.46706 
1 1 1   -3    5    7 o  344.934   6.0124  803.225   26.530  796.023   32.464  817.706   46.033  342.662   6.9913  347.206   9.7836 -4.543610 12.02482 
1 1 1   -3    5    8 o  552.017   8.2726  2042.62   57.994  1996.91   70.247  2140.46  102.775  542.587   9.5537  561.448   13.508 -18.86108 16.54517 
1 1 1   -3    5    9 o  405.290   10.821  1114.57   59.431   0.0000   0.0000  1114.57   59.431  ?   ?   405.290   10.821      ?      ? 
1 1 1   -3    5   10 o  170.375   7.5101  196.824   17.339  196.824   17.339   0.0000   0.0000  170.375   7.5101  ?   ?       ?      ? 
1 1 1   -3    5   11 o  359.849   7.1669  878.325   34.933  915.888   49.852  842.084   48.966  367.412   10.013  352.286   10.257 15.12598 14.33374 
1 1 1   -3    5   12 o  473.105   7.4053  1529.17   45.048  1486.06   76.441  1552.11   55.759  467.844   12.057  478.366   8.6014 -10.52182 14.81066 
1 1 1   -3    5   14 o  510.754   6.4030  1769.55   44.315  1749.88   62.254  1789.77   63.096  507.877   9.0454  513.632   9.0650 -5.754730 12.80600 
1 1 1   -3    5   15 o  696.864   8.2068  3296.16   77.486  3235.46  108.336  3359.73  110.872  690.301   11.581  703.427   11.631 -13.12573 16.41354 
1 1 1   -3    5   16 o  484.533   6.1707  1592.64   40.517  1586.69   57.179  1598.63   57.422  483.626   8.7246  485.441   8.7289 -1.815491 12.34148 
1 1 1   -3    5   17 o  590.750   7.1689  2367.57   57.379  2320.89   80.205  2416.51   82.123  584.789   10.121  596.711   10.156 -11.92200 14.33783 
1 1 1   -3    5   19 o  212.146   4.1261  305.102   11.862  302.882   16.749  307.336   16.801  211.372   5.8474  212.921   5.8228 -1.549011 8.252102 
1 1 1   -3    5   21 o  907.779   14.674  5599.90  180.516  5599.90  180.516   0.0000   0.0000  907.779   14.674  ?   ?       ?      ? 
1 1 1   -3    5   22 o  475.313   6.1094  1532.23   39.352  1531.85   55.645  1532.60   55.659  475.254   8.6400  475.371   8.6401 -0.1166382 12.21888 
1 1 1   -3    5   23 o  256.198   8.9954  445.158   31.230  445.158   31.230   0.0000   0.0000  256.198   8.9954  ?   ?       ?      ? 
1 1 1   -3    5   24 o  916.254   20.975  5715.10  260.435  5715.10  260.435   0.0000   0.0000  916.254   20.975  ?   ?       ?      ? 
1 1 1   -3    5   25 o  964.510   10.950  6309.32  143.015  6090.98  197.578  6549.63  207.278  947.019   15.396  982.000   15.576 -34.98120 21.90068 
1 1 1   -3    5   26 o  437.283   5.7963  1296.39   34.347  1305.46   48.713  1287.42   48.436  438.805   8.1921  435.761   8.2023 3.043182 11.59261 
1 1 1   -3    5   28 o  807.560   13.221  4425.39  144.687  4425.39  144.687   0.0000   0.0000  807.560   13.221  ?   ?       ?      ? 
1 1 1   -3    5   29 o  792.935   11.223  4194.08  112.356  4068.63  135.147  4474.82  202.178  774.362   12.879  811.507   18.385 -37.14545 22.44696 
1 1 1   -3    5   30 o  466.081   12.072  1473.69   76.248  1473.69   76.248   0.0000   0.0000  466.081   12.072  ?   ?       ?      ? 
1 1 1   -3    5   31 o  872.850   10.050  5170.83  118.873  5149.05  167.598  5192.89  168.630  871.001   14.199  874.699   14.226 -3.697998 20.09995 
1 1 1   -3    5   32 o  871.271   14.185  5152.38  167.481  5152.38  167.481   0.0000   0.0000  871.271   14.185  ?   ?       ?      ? 
1 1 1   -3    5   33 o  622.351   7.5507  2627.01   63.680  2634.84   90.099  2619.19   90.016  623.279   10.667  621.424   10.689 1.855652 15.10146 
1 1 1   -3    5   34 o  460.435   6.0504  1436.70   37.742  1403.13   52.675  1472.12   54.104  454.910   8.5447  465.959   8.5684 -11.04880 12.10079 
1 1 1   -3    5   35 o  358.254   7.3708  870.091   35.784  870.091   35.784   0.0000   0.0000  358.254   7.3708  ?   ?       ?      ? 
1 1 1   -3    5   36 o  488.047   6.3006  1614.88   41.665  1590.95   58.400  1639.68   59.462  484.366   8.8972  491.727   8.9235 -7.360931 12.60114 
1 1 1   -3    5   37 o  341.099   6.2249  785.669   27.169  799.147   47.107  778.951   33.258  343.234   10.128  338.963   7.2404 4.270752 12.44971 
1 1 1   -3    5   38 o  289.737   9.4777  569.406   37.213  569.406   37.213   0.0000   0.0000  289.737   9.4777  ?   ?       ?      ? 
1 1 1   -3    5   39 o  369.419   5.3302  925.269   26.682  915.511   37.534  935.237   37.938  367.450   7.5378  371.387   7.5382 -3.937531 10.66034 
1 1 1   -3    5   40 o  498.091   6.4122  1681.97   43.269  1728.22   62.042  1638.16   60.376  504.755   9.0703  491.427   9.0662 13.32761 12.82444 
1 1 1   -3    5   41 o  407.947   6.9121  1114.28   35.744  1170.94   63.613  1088.13   43.210  415.333   11.302  400.561   7.9604 14.77237 13.82423 
1 1 1   -3    5   42 o  267.321   5.8019  491.162   19.873  464.424   33.716  505.395   24.600  261.625   9.5098  273.018   6.6490 -11.39349 11.60373 
1 1 1   -3    5   43 o  424.568   8.1737  1222.74   47.027  1222.74   47.027   0.0000   0.0000  424.568   8.1737  ?   ?       ?      ? 
1 1 1   -3    5   44 o  159.760   4.4957  173.064   9.7325  172.936   13.696  173.194   13.833  159.701   6.3284  159.819   6.3872 -0.1179199 8.991375 
1 1 1   -3    5   45 o  378.288   5.4343  970.321   27.852  948.166   38.894  993.640   39.902  373.858   7.6769  382.717   7.6937 -8.859009 10.86867 
1 1 1   -3    5   46 o  382.195   5.4739  989.985   28.334  1035.20   40.807  947.893   39.372  390.614   7.7092  373.775   7.7732 16.83902 10.94775 
1 1 1   -3    5   47 o  379.985   6.7745  985.887   32.711  996.179   39.965  964.996   56.937  383.157   7.6969  376.812   11.150 6.344818 13.54892 
1 1 1   -3    5   48 o  395.524   6.9415  1074.01   34.982  1096.84   42.975  1029.16   60.229  402.004   7.8886  389.045   11.424 12.95892 13.88307 
1 1 1   -3    5   49 o  228.598   5.6270  366.600   16.545  398.599   20.939  313.408   26.997  242.399   6.3743  214.797   9.2747 27.60254 11.25395 
1 1 1   -3    5   50 f  339.856   6.2269  752.970   26.755  701.994   31.984  871.778   48.829  321.599   7.3391  358.113   10.062 -36.51440 12.45390 
1 1 1   -3    5   51 o  299.154   4.9403  607.390   20.027  603.244   28.227  611.592   28.420  298.126   6.9868  300.182   6.9863 -2.055847 9.880516 
1 1 1   -3    5   52 o  441.673   5.9944  1323.95   35.859  1278.73   49.766  1372.79   51.715  433.839   8.4649  449.508   8.4898 -15.66977 11.98880 
1 1 1   -3    5   53 o  392.648   7.9219  1047.27   42.152  1047.27   42.152   0.0000   0.0000  392.648   7.9219  ?   ?       ?      ? 
1 1 1   -3    5   54 o  240.941   4.6805  393.968   15.279  383.952   21.414  404.357   21.808  237.820   6.6445  244.061   6.5938 -6.241272 9.360968 
1 1 1   -3    5   55 o  401.827   11.410  1100.59   62.133  1100.59   62.133   0.0000   0.0000  401.827   11.410  ?   ?       ?      ? 
1 1 1   -3    5   56 o  441.688   12.067  1331.29   72.226  1331.29   72.226   0.0000   0.0000  441.688   12.067  ?   ?       ?      ? 
1 1 1   -3    5   57 o  339.729   10.452  786.477   48.120  786.477   48.120   0.0000   0.0000  339.729   10.452  ?   ?       ?      ? 
1 1 1   -3    5   58 o  254.198   5.7616  433.529   18.739  457.218   32.763  422.013   22.844  259.144   9.3297  249.251   6.7632 9.892990 11.52315 
1 1 1   -3    5   59 o  148.554   4.6914  149.870   9.4378  157.698   13.471  142.325   13.226  152.368   6.5243  144.739   6.7432 7.629303 9.382838 
1 1 1   -3    5   60 o  279.992   6.9888  532.792   26.517  532.792   26.517   0.0000   0.0000  279.992   6.9888  ?   ?       ?      ? 
1 1 1   -3    5   61 o  258.284   4.8107  453.362   16.838  450.216   23.738  456.549   23.887  257.381   6.8058  259.186   6.8010 -1.804535 9.621445 
1 1 1   -3    5   62 o  248.068   4.7836  417.881   16.072  400.341   22.368  436.602   23.109  242.688   6.8015  253.449   6.7285 -10.76108 9.567253 
1 1 1   -3    5   63 o  233.118   5.9139  368.623   17.423  366.054   21.090  374.144   30.917  232.054   6.7068  234.182   9.7424 -2.128021 11.82776 
1 1 1   -3    5   64 f  269.344   4.9149  492.646   17.926  470.212   24.834  517.050   25.902  262.948   6.9694  275.739   6.9319 -12.79095 9.829754 
1 1 1   -3    5   65 o  131.414   5.0316  117.450   8.9449  108.272   12.503  127.073   12.802  126.141   7.3143  136.686   6.9116 -10.54478 10.06328 
1 1 1   -3    5   66 o  152.945   5.8483  160.810   11.548  164.204   14.386  154.661   19.364  155.372   6.8326  150.518   9.4935 4.853241 11.69668 
1 1 1   -3    5   67 o  202.141   4.7771  278.019   13.070  295.773   18.601  260.705   18.370  208.537   6.5823  195.745   6.9251 12.79210 9.554249 
1 1 1   -3    5   68 o  177.673   4.7945  214.358   11.499  189.150   15.890  242.071   16.661  166.701   7.0339  188.646   6.5172 -21.94453 9.589035 
1 1 1   -3    5   69 o  209.507   4.8004  298.735   13.627  304.661   19.352  292.907   19.193  211.574   6.7498  207.441   6.8275 4.132263 9.600760 
1 1 1   -3    5   70 o  197.823   4.8338  266.475   12.958  269.191   18.343  263.769   18.307  198.834   6.8076  196.813   6.8642 2.020554 9.667508 
1 1 1   -3    5   71 o  202.917   6.0243  286.671   15.536  265.354   26.602  297.706   19.139  196.770   9.9765  209.063   6.7556 -12.29326 12.04855 
1 1 1   -3    5   72 o  113.332   7.6216   87.668   11.705   0.0000   0.0000   87.668   11.705  ?   ?   113.332   7.6216      ?      ? 
1 1 1   -3    5   73 o  102.446   7.0018   71.385   9.2659   74.437   15.827   69.793   11.429  103.894   11.241  100.997   8.3509 2.897049 14.00368 
1 1 1   -3    5   74 o  320.702   6.6060  694.628   26.876  673.703   32.483  740.034   47.850  313.892   7.6365  327.511   10.781 -13.61874 13.21193 
1 1 1   -3    5   75 o  209.834   6.0548  296.072   16.008  286.068   19.216  318.765   28.940  204.617   6.9300  215.052   9.9305 -10.43549 12.10952 
1 1 1   -3    5   76 o  183.123   4.8933  229.156   12.136  218.788   16.919  240.146   17.418  178.844   6.9809  187.401   6.8588 -8.557129 9.786552 
1 1 1   -3    5   77 o  110.440   7.1221   86.255   9.7881   89.265   11.844   79.771   17.382  114.048   7.6638  106.831   12.007 7.217384 14.24422 
1 1 1   -3    5   78 o   66.822   7.4967   31.479   6.6006   27.361   9.1678   35.912   9.5110   61.677   11.388   71.967   9.7524 -10.28963 14.99332 
1 1 1   -3    5   79 o  125.049   5.2196  107.607   8.8365  112.920   12.493  102.288   12.500  128.186   7.1920  121.912   7.5664 6.274788 10.43915 
1 1 1   -3    5   80 o  139.031   5.1074  133.227   9.6105  139.576   13.514  126.730   13.670  142.454   7.0003  135.609   7.4388 6.844269 10.21473 
1 1 1   -3    5   81 o  123.094   6.2170  105.430   9.8499  105.504   12.177  105.290   16.753  123.663   7.2663  122.525   10.090 1.138237 12.43399 
1 1 1   -3    5   82 o   66.954   7.1604   31.586   6.4932   32.093   9.0861   31.055   9.2827   67.554   9.9252   66.354   10.323 1.200485 14.32074 
1 1 1   -3    5   83 o  152.933   5.0129  161.545   10.360  145.621   14.330  178.983   14.996  144.958   7.2951  160.908   6.8774 -15.94925 10.02579 
1 1 1   -3    5   84 o   84.433   6.2105   50.081   7.1045   50.395   9.9641   49.756   10.132   84.739   8.6771   84.128   8.8877 0.6104202 12.42110 
1 1 1   -3    5   85 o   71.156   9.8544   36.058   9.5022   0.0000   0.0000   36.058   9.5022  ?   ?    71.156   9.8544      ?      ? 
1 1 1   -3    5   86 o   97.998   8.2078   67.592   10.900   0.0000   0.0000   67.592   10.900  ?   ?    97.998   8.2078      ?      ? 
1 1 1   -3    5   87 o   44.944   10.239   15.341   6.8991   16.298   11.535   14.807   8.6087   45.988   15.560   43.901   13.313 2.086796 20.47815 
1 1 1   -3    5   88 o   99.288   7.1970   73.039   9.0531   65.979   15.343   76.810   11.213   94.264   12.011  104.312   7.9325 -10.04814 14.39395 
1 1 1   -3    5   89 o   77.126   10.179   46.715   10.353   47.035   13.959   46.323   15.435   78.695   13.089   75.558   15.592 3.137177 20.35780 
1 1 1   -3    5   90 o   88.520   9.2343   59.818   11.012   59.575   14.824   60.117   16.451   88.879   12.308   88.162   13.770 0.7166824 18.46869 
1 1 1   -3    5   91 o   51.860   11.771   22.699   9.3326   21.469   12.510   24.244   14.014   50.596   16.161   53.124   17.119 -2.528671 23.54266 
1 1 1   -3    5   92 o   47.601   11.843   18.859   9.4376   18.114   12.634   19.799   14.196   46.779   16.270   48.423   17.213 -1.644547 23.68538 
1 1 1   -3    5   93 o   58.890   16.509   30.375   13.705   30.375   13.705   0.0000   0.0000   58.890   16.509  ?   ?       ?      ? 
1 1 1   -3    5   95 o   27.339   12.887  -8.0146   12.394  -8.0146   12.394   0.0000   0.0000   27.339   12.887  ?   ?       ?      ? 
1 1 1   -3    5   96 o   45.396   16.976   18.913   14.064   18.913   14.064   0.0000   0.0000   45.396   16.976  ?   ?       ?      ? 
1 1 1   -3    6    1 o  333.910   4.8925  755.814   22.134  777.719   31.560  734.613   31.049  338.672   6.8767  329.149   6.9611 9.522400 9.784924 
1 1 1   -3    6    2 o  317.316   4.7762  682.167   20.530  661.018   28.567  704.756   29.523  312.234   6.7516  322.398   6.7576 -10.16418 9.552430 
1 1 1   -3    6    3 o  423.684   5.6434  1216.81   32.392  1254.57   46.406  1180.92   45.236  430.092   7.9621  417.275   7.9997 12.81784 11.28673 
1 1 1   -3    6    4 o  326.044   4.8378  720.809   21.375  727.238   30.249  714.399   30.207  327.497   6.8160  324.591   6.8674 2.905579 9.675667 
1 1 1   -3    6    5 f  739.783   10.613  3721.28  100.150  3721.72  122.493  3720.40  173.933  740.281   12.210  739.285   17.362 0.9967041 21.22544 
1 1 1   -3    6    6 o  698.001   10.107  3311.92   89.987  3312.53  110.058  3310.71  156.298  698.470   11.628  697.531   16.535 0.9387817 20.21408 
1 1 1   -3    6    7 o  318.755   5.9378  691.749   24.045  696.589   29.341  681.853   41.957  320.521   6.7552  316.990   9.7673 3.531586 11.87568 
1 1 1   -3    6    8 o  466.094   7.4263  1504.06   44.844  1584.70   56.614  1368.27   73.469  483.327   8.6437  448.861   12.078 34.46686 14.85267 
1 1 1   -3    6    9 o  435.846   6.5779  1271.31   33.533  1254.49   38.535  1323.77   68.059  430.137   6.6109  441.555   11.374 -11.41833 13.15579 
1 1 1   -3    6   10 o  381.261   6.0384  973.651   27.022  961.523   31.111  1010.90   54.522  376.596   6.0962  385.926   10.425 -9.330170 12.07682 
1 1 1   -3    6   11 f  534.189   7.6532  1942.62   48.200  1948.38   55.834  1925.78   95.493  535.992   7.6871  532.385   13.236 3.606567 15.30646 
1 1 1   -3    6   12 o  636.719   8.8143  2765.89   66.223  2778.75   76.782  2728.52  130.856  640.004   8.8530  633.433   15.244 6.571411 17.62861 
1 1 1   -3    6   13 o  600.261   7.2642  2445.12   59.087  2421.96   83.074  2468.83   84.058  597.385   10.262  603.137   10.284 -5.751526 14.52848 
1 1 1   -3    6   14 o  239.264   6.0480  388.101   19.610  388.101   19.610   0.0000   0.0000  239.264   6.0480  ?   ?       ?      ? 
1 1 1   -3    6   15 o  590.548   7.1929  2366.50   57.562  2378.17   81.616  2354.95   81.196  591.996   10.174  589.099   10.171 2.897339 14.38571 
1 1 1   -3    6   17 o  690.602   8.1697  3236.94   76.454  3268.83  108.707  3205.72  107.546  693.968   11.559  687.237   11.548 6.730774 16.33938 
1 1 1   -3    6   20 o  395.889   6.7270  1070.19   34.046  1041.01   58.473  1085.16   41.877  391.713   11.016  400.065   7.7244 -8.352325 13.45393 
1 1 1   -3    6   21 o  584.070   8.7605  2311.18   65.222  2326.36  113.654  2303.73   79.642  585.345   14.328  582.796   10.084 2.549255 17.52106 
1 1 1   -3    6   22 o  689.949   8.1695  3229.31   76.380  3205.19  107.490  3253.91  108.553  687.348   11.540  692.550   11.567 -5.202026 16.33893 
1 1 1   -3    6   23 o  809.294   9.3585  4444.22  102.628  4396.18  144.104  4493.67  146.194  804.858   13.212  813.729   13.258 -8.870605 18.71703 
1 1 1   -3    6   24 o  680.258   9.8537  3111.97   85.230  3059.00  103.483  3223.69  150.279  671.534   11.372  688.983   16.096 -17.44977 19.70734 
1 1 1   -3    6   25 f  552.321   9.6343  2069.89   72.104  2038.41  101.193  2102.35  102.766  548.057   13.625  556.586   13.625 -8.529175 19.26869 
1 1 1   -3    6   26 o  875.221   12.292  5224.09  137.982  5139.21  236.087  5268.13  170.048  869.434   20.038  881.009   14.243 -11.57483 24.58429 
1 1 1   -3    6   27 o  836.913   13.636  4753.24  154.655  4753.24  154.655   0.0000   0.0000  836.913   13.636  ?   ?       ?      ? 
1 1 1   -3    6   28 o  590.152   10.221  2361.90   81.745  2361.90   81.745   0.0000   0.0000  590.152   10.221  ?   ?       ?      ? 
1 1 1   -3    6   30 o  338.932   5.0650  777.861   23.250  746.650   32.297  811.435   33.498  331.882   7.1813  345.982   7.1446 -14.09970 10.12997 
1 1 1   -3    6   31 o  512.417   6.5147  1777.96   45.206  1706.62   62.568  1855.88   65.386  501.678   9.2033  523.157   9.2230 -21.47836 13.02938 
1 1 1   -3    6   32 o  379.283   5.3816  975.182   27.659  985.192   39.312  965.369   38.923  381.211   7.6099  377.356   7.6115 3.854675 10.76316 
1 1 1   -3    6   33 o  429.390   5.8031  1248.73   33.748  1203.83   46.823  1297.27   48.686  421.367   8.2001  437.413   8.2136 -16.04620 11.60621 
1 1 1   -3    6   34 o  770.936   9.0012  4033.20   94.027  3977.20  131.808  4091.24  134.172  765.490   12.706  776.382   12.753 -10.89191 18.00230 
1 1 1   -3    6   35 o  646.841   15.542  2842.71  136.233  2842.71  136.233   0.0000   0.0000  646.841   15.542  ?   ?       ?      ? 
1 1 1   -3    6   36 o  380.943   6.6113  975.684   32.101  1009.57   56.322  959.381   39.069  385.733   10.775  376.154   7.6644 9.579285 13.22267 
1 1 1   -3    6   37 o  291.622   4.8518  576.306   19.168  587.524   27.517  565.732   26.716  294.376   6.8979  288.867   6.8248 5.509094 9.703549 
1 1 1   -3    6   38 o  597.823   7.3461  2424.72   59.508  2459.29   84.842  2391.25   83.488  602.015   10.400  593.632   10.378 8.383667 14.69230 
1 1 1   -3    6   39 o  718.961   10.482  3552.01   96.981  3387.40  163.404  3641.52  120.498  705.591   17.089  732.332   12.142 -26.74109 20.96373 
1 1 1   -3    6   40 o  606.529   9.1635  2532.23   71.593  2389.47  120.037  2611.05   89.194  592.826   14.942  620.232   10.612 -27.40582 18.32696 
1 1 1   -3    6   41 o  451.859   6.0438  1382.01   36.966  1313.62   50.870  1458.52   53.810  440.042   8.5307  463.676   8.5638 -23.63327 12.08760 
1 1 1   -3    6   42 o  597.488   7.3411  2422.93   59.430  2381.80   83.178  2465.81   84.943  592.313   10.363  602.664   10.401 -10.35089 14.68219 
1 1 1   -3    6   43 o  580.643   10.187  2289.14   80.155  2289.14   80.155   0.0000   0.0000  580.643   10.187  ?   ?       ?      ? 
1 1 1   -3    6   44 o  250.179   6.5707  424.489   22.276  424.489   22.276   0.0000   0.0000  250.179   6.5707  ?   ?       ?      ? 
1 1 1   -3    6   45 o  320.967   6.2539  692.601   25.351  681.063   30.594  717.882   45.287  316.849   7.1252  325.086   10.280 -8.237335 12.50786 
1 1 1   -3    6   46 o  373.648   6.7295  947.205   31.845  945.339   38.663  951.140   56.152  373.235   7.6442  374.062   11.077 -0.8265686 13.45895 
1 1 1   -3    6   47 o   96.877   5.2517   63.692   6.8943   64.279   9.7559   63.107   9.7442   97.323   7.3972   96.431   7.4567 0.8924637 10.50338 
1 1 1   -3    6   48 o  411.280   6.9723  1161.00   36.899  1187.22   45.810  1112.55   62.266  418.163   8.0841  404.396   11.362 13.76672 13.94453 
1 1 1   -3    6   49 o  355.388   6.3563  825.131   28.565  771.609   34.171  949.307   52.049  337.140   7.4793  373.637   10.280 -36.49658 12.71267 
1 1 1   -3    6   50 o  256.150   6.6615  445.294   23.123  445.294   23.123   0.0000   0.0000  256.150   6.6615  ?   ?       ?      ? 
1 1 1   -3    6   51 o  433.738   8.3884  1278.22   49.305  1278.22   49.305   0.0000   0.0000  433.738   8.3884  ?   ?       ?      ? 
1 1 1   -3    6   52 o  415.338   5.7776  1172.00   32.517  1186.30   46.235  1158.00   45.741  417.846   8.1652  412.830   8.1762 5.015839 11.55518 
1 1 1   -3    6   53 o  299.039   4.9717  606.830   20.140  628.868   28.895  586.007   28.087  304.318   7.0066  293.760   7.0555 10.55811 9.943475 
1 1 1   -3    6   54 o  559.443   7.0659  2130.00   53.559  2090.85   74.929  2170.89   76.587  554.193   9.9771  564.692   10.008 -10.49976 14.13184 
1 1 1   -3    6   55 o  351.311   10.757  841.135   51.210  841.135   51.210   0.0000   0.0000  351.311   10.757  ?   ?       ?      ? 
1 1 1   -3    6   56 o  305.694   6.2354  638.982   24.258  626.514   42.109  645.176   29.678  303.229   10.248  308.160   7.1067 -4.930664 12.47080 
1 1 1   -3    6   57 o  304.398   5.0251  629.582   20.727  620.351   29.197  638.961   29.430  302.146   7.1307  306.651   7.0822 -4.504517 10.05016 
1 1 1   -3    6   58 o  157.886   4.6844  169.406   10.008  157.942   14.069  181.152   14.241  152.465   6.8093  163.308   6.4350 -10.84285 9.368867 
1 1 1   -3    6   59 o  110.553   5.0613   82.943   7.5727   89.137   10.936   77.237   10.497  114.518   7.0467  106.589   7.2670 7.928764 10.12253 
1 1 1   -3    6   60 o  138.579   4.8120  130.594   9.0289  124.389   12.767  136.803   12.771  135.274   6.9644  141.884   6.6421 -6.610672 9.623949 
1 1 1   -3    6   61 f  142.205   6.0254  135.368   10.836  131.365   13.057  144.227   19.424  139.006   6.9316  145.403   9.8577 -6.397202 12.05076 
1 1 1   -3    6   62 o  284.296   7.0045  549.615   26.986  549.615   26.986   0.0000   0.0000  284.296   7.0045  ?   ?       ?      ? 
1 1 1   -3    6   63 o  234.057   4.7709  372.374   15.127  358.201   21.205  387.058   21.584  229.515   6.8178  238.598   6.6756 -9.083542 9.541778 
1 1 1   -3    6   64 o  154.568   6.9176  162.504   14.490  162.504   14.490   0.0000   0.0000  154.568   6.9176  ?   ?       ?      ? 
1 1 1   -3    6   65 o  225.253   4.8279  344.372   14.697  382.181   21.294  309.983   20.309  237.059   6.6287  213.448   7.0211 23.61037 9.655852 
1 1 1   -3    6   66 o  212.063   5.6487  301.283   15.453  290.259   18.966  323.053   26.653  206.556   6.7757  217.570   9.0401 -11.01401 11.29748 
1 1 1   -3    6   67 o  185.153   4.8095  232.855   12.013  203.617   16.606  264.955   17.400  172.948   7.0852  197.358   6.5058 -24.40970 9.619039 
1 1 1   -3    6   68 o  227.774   4.8303  352.807   14.901  368.763   21.441  337.900   20.724  232.755   6.7978  222.792   6.8643 9.963043 9.660650 
1 1 1   -3    6   69 o  136.598   5.1125  126.763   9.4116  146.364   13.702  109.256   12.950  146.600   6.8970  126.596   7.5486 20.00371 10.22496 
1 1 1   -3    6   70 o  159.735   4.9384  173.821   10.685  175.361   15.375  172.383   14.860  160.407   7.0728  159.062   6.8939 1.345093 9.876761 
1 1 1   -3    6   71 o  114.672   7.6005   89.759   11.811   0.0000   0.0000   89.759   11.811  ?   ?   114.672   7.6005      ?      ? 
1 1 1   -3    6   72 o  180.867   6.1297  232.601   13.984  198.788   23.704  250.651   17.319  170.006   10.289  191.728   6.6657 -21.72264 12.25937 
1 1 1   -3    6   73 o  198.820   6.8734  269.847   18.519  269.847   18.519   0.0000   0.0000  198.820   6.8734  ?   ?       ?      ? 
1 1 1   -3    6   74 o   56.209   8.5127   22.990   6.4905   13.788   9.2620   31.870   9.0981   44.419   13.870   67.999   9.8734 -23.58017 17.02535 
1 1 1   -3    6   75 o  152.479   6.3367  157.914   12.185  154.338   14.676  165.851   21.861  150.156   7.2123  154.802   10.421 -4.646790 12.67340 
1 1 1   -3    6   76 o   38.370   9.7551   8.4647   7.1091   14.260   8.6090  -3.9585   12.605   44.635   13.263   32.105   14.309 12.53011 19.51025 
1 1 1   -3    6   77 o   35.409   9.6205   2.3691   6.5722   14.105   11.554  -3.2451   7.9911   45.615   15.573   25.203   11.301 20.41186 19.24102 
1 1 1   -3    6   78 o  191.541   7.0208  255.591   18.201  261.549   25.313  249.215   26.188  194.005   9.6284  189.077   10.221 4.928375 14.04160 
1 1 1   -3    6   79 o   85.828   8.4794   54.888   8.6419   58.494   10.462   47.142   15.334   91.917   8.3990   79.739   14.733 12.17852 16.95884 
1 1 1   -3    6   80 o   25.501   7.8711  -2.5850   5.3965   2.7890   7.6612  -7.8775   7.6028   29.582   12.078   21.420   10.096 8.161930 15.74220 
1 1 1   -3    6   81 o   98.211   6.6001   64.960   8.4868   58.197   10.508   77.644   14.392   91.421   8.4821  105.002   10.114 -13.58041 13.20021 
1 1 1   -3    6   82 o  106.650   5.5632   78.998   8.0326   74.434   11.151   83.920   11.580  103.421   7.9568  109.879   7.7771 -6.457237 11.12631 
1 1 1   -3    6   83 o   67.852   9.1007   35.029   7.6272   31.571   13.229   36.751   9.3347   63.601   15.493   72.104   9.5535 -8.502743 18.20134 
1 1 1   -3    6   84 o  108.447   6.7434   82.366   9.3693   86.982   16.278   80.078   11.457  109.917   10.928  106.977   7.9034 2.939835 13.48672 
1 1 1   -3    6   85 o  108.107   7.8158   81.958   11.450   0.0000   0.0000   81.958   11.450  ?   ?   108.107   7.8158      ?      ? 
1 1 1   -3    6   86 o   45.177   13.088   15.738   8.4758   0.0000   0.0000   15.738   8.4758  ?   ?    45.177   13.088      ?      ? 
1 1 1   -3    6   87 o   47.982   10.128   18.448   6.9888   15.991   11.977   19.717   8.6060   45.535   15.841   50.428   12.623 -4.893200 20.25510 
1 1 1   -3    6   88 o   56.755   11.063   24.252   9.4335   11.714   12.274   42.346   14.745   41.286   15.764   72.225   15.527 -30.93819 22.12670 
1 1 1   -3    6   89 o   56.923   9.6716   27.461   9.4375   46.210   12.276   0.3713   14.757   78.808   11.495   35.039   15.557 43.76862 19.34315 
1 1 1   -3    6   90 o   49.046   16.225   19.998   12.549   19.998   12.549   0.0000   0.0000   49.046   16.225  ?   ?       ?      ? 
1 1 1   -3    6   91 o   25.316   12.176 -13.9921   12.259   0.0000   0.0000 -13.9921   12.259  ?   ?    25.316   12.176      ?      ? 
1 1 1   -3    6   92 o   52.079   10.394   18.068   9.5458  -1.5116   12.605   44.400   14.617   31.259   14.090   72.899   15.285 -41.63990 20.78823 
1 1 1   -3    6   93 f   65.729   15.729   37.262   13.823   37.262   13.823   0.0000   0.0000   65.729   15.729  ?   ?       ?      ? 
1 1 1   -3    6   94 o   49.097   16.622   21.825   13.162   21.825   13.162   0.0000   0.0000   49.097   16.622  ?   ?       ?      ? 
1 1 1   -3    6   95 o   39.516   16.033   11.757   13.394   11.757   13.394   0.0000   0.0000   39.516   16.033  ?   ?       ?      ? 
1 1 1   -3    6   96 o   48.268   17.445   23.101   14.643   23.101   14.643   0.0000   0.0000   48.268   17.445  ?   ?       ?      ? 
1 1 1   -3    7    1 o  189.579   5.8830  243.675   15.111  237.224   21.159  250.388   21.587  187.019   8.3489  192.139   8.2908 -5.120300 11.76609 
1 1 1   -3    7    2 o  177.391   5.0899  215.962   11.389  220.658   13.863  206.211   19.977  180.419   5.6703  174.364   8.4544 6.055511 10.17987 
1 1 1   -3    7    3 o  407.045   5.5303  1123.38   30.501  1109.04   42.719  1138.29   43.564  404.398   7.7952  409.692   7.8468 -5.294250 11.06062 
1 1 1   -3    7    4 o  340.252   4.9908  784.688   23.008  769.454   32.153  800.673   32.936  336.870   7.0434  343.634   7.0728 -6.764832 9.981651 
1 1 1   -3    7    5 o  429.741   5.7219  1252.46   33.321  1251.12   46.993  1253.82   47.255  429.511   8.0737  429.972   8.1101 -0.4603271 11.44370 
1 1 1   -3    7    6 o  265.424   4.4666  477.335   16.061  465.371   22.394  490.006   23.047  262.001   6.3075  268.846   6.3259 -6.844666 8.933166 
1 1 1   -3    7    7 o  482.704   6.1912  1580.22   40.496  1565.23   56.864  1595.65   57.684  480.382   8.7351  485.026   8.7762 -4.643188 12.38241 
1 1 1   -3    7    8 o  716.017   8.4254  3480.34   81.751  3488.00  115.628  3472.68  115.600  716.807   11.904  715.228   11.927 1.578857 16.85076 
1 1 1   -3    7    9 o  604.299   8.4655  2491.03   60.341  2503.65   69.952  2454.33  119.277  607.584   8.4960  601.014   14.645 6.570007 16.93095 
1 1 1   -3    7   10 o  520.885   7.5638  1855.57   46.614  1871.12   54.171  1811.21   91.503  525.310   7.6097  516.461   13.074 8.848938 15.12751 
1 1 1   -3    7   11 o  667.347   9.7106  3014.89   82.667  2996.14  100.948  3053.06  144.036  664.464   11.211  670.231   15.859 -5.767395 19.42116 
1 1 1   -3    7   12 o  827.992   11.000  4512.15  104.533  4389.50  118.705  4935.78  220.609  804.318   10.891  851.666   19.115 -47.34766 21.99969 
1 1 1   -3    7   13 o  456.138   7.3411  1436.53   43.368  1503.31   54.607  1322.48   71.365  470.836   8.5584  441.440   11.930 29.39609 14.68215 
1 1 1   -3    7   14 f  506.318   7.3603  1720.82   43.659  1703.15   50.246  1775.27   88.202  501.214   7.3977  511.422   12.727 -10.20776 14.72055 
1 1 1   -3    7   15 o  397.264   6.6289  1065.68   33.650  1056.58   41.135  1084.08   58.508  394.770   7.6892  399.758   10.800 -4.987671 13.25778 
1 1 1   -3    7   16 o  190.726   4.1576  246.558   10.739  258.021   15.276  235.356   15.101  195.110   5.7776  186.342   5.9801 8.768280 8.315142 
1 1 1   -3    7   17 o  211.967   5.2973  307.684   14.273  295.559   24.710  313.754   17.485  208.781   8.7339  215.152   5.9971 -6.371185 10.59459 
1 1 1   -3    7   18 o  372.946   6.4978  940.471   30.861  950.933   53.940  935.379   37.629  374.435   10.630  371.456   7.4753 2.979095 12.99561 
1 1 1   -3    7   19 o  450.437   5.9295  1375.21   36.188  1353.88   50.640  1397.48   51.734  446.868   8.3624  454.005   8.4088 -7.136658 11.85904 
1 1 1   -3    7   20 o  507.601   9.0425  1746.48   62.168  1689.65   86.265  1807.89   89.671  499.020   12.757  516.182   12.819 -17.16119 18.08498 
1 1 1   -3    7   21 o  293.746   9.2374  585.074   36.771  585.074   36.771   0.0000   0.0000  293.746   9.2374  ?   ?       ?      ? 
1 1 1   -3    7   22 f  425.002   8.0977  1224.55   46.637  1224.55   46.637   0.0000   0.0000  425.002   8.0977  ?   ?       ?      ? 
1 1 1   -3    7   23 o  488.859   7.6529  1626.16   47.995  1637.47   59.138  1604.33   82.151  491.436   8.8800  486.282   12.466 5.154083 15.30581 
1 1 1   -3    7   24 o  280.100   6.6207  531.789   25.130  531.789   25.130   0.0000   0.0000  280.100   6.6207  ?   ?       ?      ? 
1 1 1   -3    7   25 o  667.298   11.266  3020.37  101.877  3020.37  101.877   0.0000   0.0000  667.298   11.266  ?   ?       ?      ? 
1 1 1   -3    7   26 o  613.949   7.4504  2553.99   61.955  2476.13   85.994  2638.02   89.336  604.231   10.502  623.667   10.570 -19.43573 14.90071 
1 1 1   -3    7   27 o  421.904   8.0965  1206.79   46.290   0.0000   0.0000  1206.79   46.290  ?   ?   421.904   8.0965      ?      ? 
1 1 1   -3    7   28 o  506.170   6.4691  1737.11   44.371  1716.79   62.349  1757.97   63.159  503.171   9.1439  509.169   9.1535 -5.998383 12.93823 
1 1 1   -3    7   29 o  675.087   8.0560  3091.77   73.698  3081.61  103.966  3102.03  104.486  673.973   11.383  676.201   11.402 -2.228027 16.11194 
1 1 1   -3    7   30 o  713.190   8.4270  3451.08   81.442  3421.83  114.595  3480.94  115.766  710.137   11.908  716.243   11.927 -6.106384 16.85404 
1 1 1   -3    7   31 o  693.048   8.2487  3257.75   77.452  3189.86  108.140  3329.25  110.982  685.640   11.639  700.456   11.692 -14.81506 16.49740 
1 1 1   -3    7   32 o  619.063   7.5209  2599.86   63.092  2579.01   88.818  2621.11   89.639  616.557   10.630  621.568   10.642 -5.011230 15.04182 
1 1 1   -3    7   33 o  482.831   7.6162  1556.12   46.662  1654.28   83.098  1510.92   56.392  493.660   12.422  472.001   8.8164 21.65945 15.23246 
1 1 1   -3    7   34 o  485.533   12.524  1600.51   82.402  1600.51   82.402   0.0000   0.0000  485.533   12.524  ?   ?       ?      ? 
1 1 1   -3    7   35 o  626.469   9.2898  2650.80   74.144  2708.14  129.794  2623.03   90.334  631.227   15.174  621.711   10.722 9.516174 18.57952 
1 1 1   -3    7   36 o  741.094   12.411  3729.40  124.646  3729.40  124.646   0.0000   0.0000  741.094   12.411  ?   ?       ?      ? 
1 1 1   -3    7   37 o  611.979   15.036  2546.17  124.699  2546.17  124.699   0.0000   0.0000  611.979   15.036  ?   ?       ?      ? 
1 1 1   -3    7   38 o  256.499   4.6888  446.125   16.294  434.029   22.989  458.335   23.098  253.003   6.7053  259.995   6.5557 -6.992020 9.377519 
1 1 1   -3    7   39 o  434.114   5.8858  1278.44   34.625  1270.70   48.899  1286.22   49.035  432.796   8.3375  435.432   8.3100 -2.635864 11.77162 
1 1 1   -3    7   40 o  262.339   4.7255  466.643   16.793  449.404   23.597  484.336   23.905  257.427   6.7642  267.250   6.6006 -9.823059 9.451066 
1 1 1   -3    7   41 o  332.738   5.1447  750.809   23.195  763.924   33.102  738.158   32.512  335.592   7.2787  329.884   7.2727 5.707764 10.28944 
1 1 1   -3    7   42 o  561.106   7.0293  2137.84   53.447  2118.97   75.193  2157.12   75.984  558.604   9.9332  563.608   9.9487 -5.004761 14.05860 
1 1 1   -3    7   43 o  531.382   8.3200  1917.95   56.283  1914.54   68.673  1924.92   98.230  530.971   9.5441  531.793   13.631 -0.8218994 16.63992 
1 1 1   -3    7   44 o  447.299   6.0321  1358.01   36.560  1382.41   52.133  1334.41   51.284  451.252   8.5253  443.347   8.5360 7.904572 12.06416 
1 1 1   -3    7   45 o  345.848   5.2323  811.647   24.521  822.040   34.881  801.493   34.478  348.036   7.3958  343.659   7.4035 4.377594 10.46467 
1 1 1   -3    7   46 o  487.141   6.3704  1612.03   42.054  1612.87   59.491  1611.19   59.456  487.268   9.0095  487.014   9.0088 0.2541504 12.74086 
1 1 1   -3    7   47 o  471.056   7.5298  1420.35   44.018  1302.14   51.697  1731.99   83.939  437.818   8.7135  504.295   12.283 -66.47757 15.05962 
1 1 1   -3    7   48 o  145.987   5.5561  147.376   10.550  155.039   13.378  134.771   17.157  151.149   6.5312  140.826   8.9902 10.32381 11.11218 
1 1 1   -3    7   49 o  294.600   4.9254  589.128   19.662  579.119   27.688  599.310   27.926  292.074   6.9954  297.127   6.9357 -5.052887 9.850890 
1 1 1   -3    7   50 o   94.244   5.3766   60.297   6.8634   61.198   9.8854   59.459   9.5366   94.921   7.6852   93.567   7.5212 1.353996 10.75317 
1 1 1   -3    7   51 o  118.611   4.8570   95.622   7.7984   92.520   11.167   98.574   10.896  116.725   7.0596  120.497   6.6726 -3.772224 9.713935 
1 1 1   -3    7   52 o  205.235   6.5141  285.970   18.117  285.970   18.117   0.0000   0.0000  205.235   6.5141  ?   ?       ?      ? 
1 1 1   -3    7   53 o  205.569   9.2823  287.561   25.858  287.561   25.858   0.0000   0.0000  205.569   9.2823  ?   ?       ?      ? 
1 1 1   -3    7   55 f  118.241   5.9831   90.480   9.0537  109.142   16.233   82.054   10.908  126.601   9.4619  109.881   7.3254 16.71944 11.96618 
1 1 1   -3    7   56 o  107.204   5.1584   78.062   7.4913   80.549   10.758   75.720   10.438  108.861   7.2924  105.548   7.2976 3.313545 10.31675 
1 1 1   -3    7   57 o  213.694   6.6002  310.250   19.113  310.250   19.113   0.0000   0.0000  213.694   6.6002  ?   ?       ?      ? 
1 1 1   -3    7   58 o  126.860   4.9390  109.582   8.4749  102.955   12.072  116.022   11.900  123.056   7.2393  130.663   6.7208 -7.606857 9.878097 
1 1 1   -3    7   59 o  262.815   6.0125  466.326   20.036  459.142   24.275  481.677   35.484  259.890   6.8928  265.740   9.8535 -5.850372 12.02508 
1 1 1   -3    7   60 o  108.488   6.8532   81.709   9.2445   84.008   11.146   76.642   16.547  111.129   7.4014  105.848   11.536 5.281158 13.70646 
1 1 1   -3    7   61 o  176.653   4.7109  211.979   11.272  220.847   16.187  203.631   15.706  180.240   6.6274  173.066   6.6969 7.173660 9.421836 
1 1 1   -3    7   62 o  286.481   5.0157  557.751   19.459  529.628   27.091  587.724   27.968  279.017   7.1649  293.945   7.0211 -14.92825 10.03149 
1 1 1   -3    7   63 o  175.657   4.8257  209.933   11.483  204.402   16.282  215.407   16.198  173.344   6.9312  177.970   6.7162 -4.626907 9.651373 
1 1 1   -3    7   64 o  192.336   4.8063  250.993   12.496  277.133   18.142  227.395   17.238  201.858   6.6323  182.815   6.9580 19.04369 9.612559 
1 1 1   -3    7   65 f  179.856   5.7250  222.850   13.375  229.221   16.820  211.895   22.057  183.550   6.7623  176.162   9.2397 7.387680 11.44995 
1 1 1   -3    7   66 o  203.825   5.6467  276.519   14.910  261.588   18.328  305.740   25.640  196.039   6.8991  211.612   8.9412 -15.57277 11.29346 
1 1 1   -3    7   67 o  138.388   5.0764  130.448   9.5176  130.542   13.616  130.358   13.310  138.429   7.2582  138.347   7.0992 0.8117676E-01 10.15280 
1 1 1   -3    7   68 f   81.830   6.5946   45.519   7.2279   56.002   10.670   36.628   9.8258   90.534   8.6968   73.126   9.9155 17.40778 13.18913 
1 1 1   -3    7   69 o  121.159   6.4561  100.183   9.9714  101.305   17.377   99.632   12.176  121.459   10.557  120.858   7.4341 0.6008453 12.91220 
1 1 1   -3    7   70 o  108.119   5.6708   79.797   8.3031   83.870   11.951   75.997   11.545  110.789   7.9601  105.448   8.0789 5.341225 11.34160 
1 1 1   -3    7   71 o  144.066   6.1949  138.457   11.318  152.907   20.328  131.965   13.625  149.111   10.060  139.021   7.2323 10.09048 12.38983 
1 1 1   -3    7   72 o  171.306   4.9298  200.314   11.441  206.639   16.393  194.308   15.974  173.944   6.9546  168.668   6.9888 5.276382 9.859505 
1 1 1   -3    7   73 o  159.229   4.9966  173.297   10.777  166.410   15.100  180.448   15.387  155.990   7.1432  162.468   6.9886 -6.478119 9.993286 
1 1 1   -3    7   74 o  145.317   6.3011  137.380   11.557  124.813   13.748  167.654   21.338  134.948   7.5179  155.686   10.114 -20.73825 12.60218 
1 1 1   -3    7   75 o  105.002   5.5928   75.794   7.9412   82.221   11.322   69.570   11.141  109.436   7.6346  100.569   8.1749 8.867096 11.18552 
1 1 1   -3    7   76 f   89.683   8.4585   55.486   10.280   55.486   10.280   0.0000   0.0000   89.683   8.4585  ?   ?       ?      ? 
1 1 1   -3    7   77 o   50.499   8.9574   18.799   6.1610   15.768   8.7878   21.730   8.6401   46.459   13.288   54.538   12.015 -8.079086 17.91480 
1 1 1   -3    7   78 o  118.587   7.5263   96.996   12.095   96.996   12.095   0.0000   0.0000  118.587   7.5263  ?   ?       ?      ? 
1 1 1   -3    7   79 o  143.984   5.0510  143.016   9.8541  140.883   13.968  145.130   13.904  142.889   7.2137  145.078   7.0721 -2.188889 10.10206 
1 1 1   -3    7   80 o   72.998   6.8795   37.409   6.7963   34.833   9.4648   40.152   9.7649   70.352   9.9279   75.644   9.5260 -5.292686 13.75892 
1 1 1   -3    7   81 o   56.236   10.429   23.785   8.2910   33.123   12.225   15.832   11.282   66.079   14.083   46.392   15.386 19.68657 20.85788 
1 1 1   -3    7   82 o   59.921   11.384   28.063   9.3724   26.196   12.400   30.551   14.314   57.861   15.502   61.981   16.677 -4.119812 22.76874 
1 1 1   -3    7   83 o  104.862   8.4098   79.882   11.903   77.686   16.051   82.565   17.742  103.539   11.440  106.184   12.330 -2.645210 16.81952 
1 1 1   -3    7   84 o  125.022   6.5516  113.695   10.464  102.606   17.497  119.869   13.055  119.072   10.844  130.972   7.3556 -11.90023 13.10311 
1 1 1   -3    7   85 o   30.581   12.369   4.0295   7.9464   0.0000   0.0000   4.0295   7.9464  ?   ?    30.581   12.369      ?      ? 
1 1 1   -3    7   87 o   38.358   15.927   6.9822   13.620   0.0000   0.0000   6.9822   13.620  ?   ?    38.358   15.927      ?      ? 
1 1 1   -3    7   88 o   59.256   11.774   29.639   9.7664   28.974   12.827   30.557   15.065   59.047   15.743   59.465   17.513 -0.4187775 23.54889 
1 1 1   -3    7   89 o   70.057   10.983   38.737   10.065   29.571   12.870   53.165   16.148   59.412   15.736   80.701   15.326 -21.28876 21.96596 
1 1 1   -3    7   90 o   49.949   11.749   19.461   9.5201   11.580   12.318   31.153   15.003   40.536   15.710   59.362   17.476 -18.82610 23.49876 
1 1 1   -3    7   91 o   83.859   10.086   56.065   11.148   48.374   14.960   65.666   16.716   76.452   14.976   91.267   13.515 -14.81583 20.17265 
1 1 1   -3    7   92 o   57.279   12.088   28.944   10.192   22.096   13.518   37.968   15.517   49.825   16.845   64.733   17.340 -14.90746 24.17507 
1 1 1   -3    7   93 o   56.990   16.375   29.394   13.317   29.394   13.317   0.0000   0.0000   56.990   16.375  ?   ?       ?      ? 
1 1 1   -3    7   94 o   53.834   16.854   27.383   13.666   27.383   13.666   0.0000   0.0000   53.834   16.854  ?   ?       ?      ? 
1 1 1   -3    7   95 o   49.302   17.469   24.227   14.610   24.227   14.610   0.0000   0.0000   49.302   17.469  ?   ?       ?      ? 
1 1 1   -3    7   96 o   25.811   12.416 -10.9047   12.761 -10.9047   12.761   0.0000   0.0000   25.811   12.416  ?   ?       ?      ? 
1 1 1   -3    8    1 o  206.694   4.2395  289.091   11.864  273.190   16.425  306.435   17.154  200.761   6.0373  212.627   5.9535 -11.86581 8.478980 
1 1 1   -3    8    2 o  207.877   4.2506  292.887   11.971  292.402   16.748  293.395   17.119  207.701   5.9503  208.052   6.0717 -0.3510284 8.501297 
1 1 1   -3    8    3 o  232.515   4.3647  365.929   13.743  351.068   19.021  382.159   19.878  227.583   6.1676  237.447   6.1777 -9.863602 8.729483 
1 1 1   -3    8    4 o  287.582   4.6686  560.551   18.192  557.109   25.509  564.114   25.952  286.685   6.5661  288.480   6.6384 -1.795288 9.337126 
1 1 1   -3    8    5 o  441.002   5.8550  1316.70   34.964  1266.08   48.346  1372.20   50.627  432.129   8.2558  449.874   8.3045 -17.74432 11.70994 
1 1 1   -3    8    6 o  568.513   8.6296  2205.29   62.934  2154.55  107.460  2231.78   77.643  563.376   14.076  573.649   9.9879 -10.27228 17.25919 
1 1 1   -3    8    7 o  629.308   9.3463  2704.38   75.325  2739.68   92.796  2636.20  128.973  635.536   10.775  623.081   15.275 12.45532 18.69257 
1 1 1   -3    8    8 o  410.227   5.5998  1140.82   31.128  1133.22   43.739  1148.62   44.310  408.843   7.8946  411.611   7.9439 -2.768066 11.19954 
1 1 1   -3    8    9 o  279.150   4.6399  526.962   17.530  494.288   24.169  563.233   25.465  270.040   6.6046  288.260   6.5188 -18.22003 9.279891 
1 1 1   -3    8   10 o  486.670   7.1871  1595.22   41.005  1584.37   47.247  1628.35   82.546  483.450   7.2117  489.890   12.434 -6.440155 14.37416 
1 1 1   -3    8   11 o  252.281   5.1360  433.417   15.345  435.523   17.824  427.384   30.162  253.500   5.1886  251.063   8.8653 2.437027 10.27209 
1 1 1   -3    8   12 o  452.443   6.8618  1391.69   36.620  1395.36   42.425  1380.96   72.530  453.708   6.9001  451.178   11.863 2.530365 13.72364 
1 1 1   -3    8   13 o  481.660   7.6036  1573.36   46.960  1573.08   57.727  1573.90   80.745  481.674   8.8440  481.646   12.371 0.2859497E-01 15.20712 
1 1 1   -3    8   14 o  343.944   6.2033  800.423   27.425  796.903   33.764  807.249   47.015  342.870   7.2667  345.017   10.056 -2.147827 12.40660 
1 1 1   -3    8   15 o  422.795   6.9693  1212.66   37.714  1213.64   46.286  1210.73   65.056  423.107   8.0727  422.484   11.363 0.6223755 13.93867 
1 1 1   -3    8   16 o  422.480   7.9880  1210.71   45.731  1221.56   64.672  1199.86   64.676  424.375   11.246  420.585   11.348 3.790161 15.97601 
1 1 1   -3    8   17 o  378.898   6.5318  980.186   31.796  995.102   39.321  952.009   54.043  383.136   7.5734  374.661   10.644 8.475433 13.06367 
1 1 1   -3    8   18 o  266.180   5.4943  469.188   18.692  448.354   22.675  513.377   33.022  257.192   6.5058  275.169   8.8558 -17.97678 10.98862 
1 1 1   -3    8   19 o  759.102   10.850  3907.75  105.181  3899.05  128.708  3925.24  182.497  758.082   12.529  760.122   17.717 -2.040161 21.69937 
1 1 1   -3    8   20 o  637.717   15.319  2761.06  132.388   0.0000   0.0000  2761.06  132.388  ?   ?   637.717   15.319      ?      ? 
1 1 1   -3    8   21 o  305.107   5.9332  599.137   22.549  554.872   26.596  712.316   42.527  286.109   6.8596  324.104   9.6828 -37.99469 11.86636 
1 1 1   -3    8   22 o  489.031   12.681  1622.71   84.040   0.0000   0.0000  1622.71   84.040  ?   ?   489.031   12.681      ?      ? 
1 1 1   -3    8   23 o  550.219   6.8635  2052.79   51.173  2079.57   72.803  2026.65   71.944  553.765   9.7016  546.674   9.7114 7.091370 13.72706 
1 1 1   -3    8   24 o  360.188   5.2438  879.490   25.595  885.017   36.241  873.990   36.152  361.317   7.4016  359.058   7.4299 2.258728 10.48751 
1 1 1   -3    8   25 o  337.340   5.0855  771.461   23.248  776.416   32.853  766.492   32.901  338.425   7.1637  336.254   7.2203 2.171356 10.17109 
1 1 1   -3    8   26 o  442.819   5.9275  1328.38   35.553  1376.68   51.169  1283.30   49.436  450.595   8.3798  435.043   8.3855 15.55136 11.85491 
1 1 1   -3    8   28 o  579.658   7.1478  2279.23   56.147  2286.75   79.531  2271.77   79.276  580.611   10.108  578.706   10.109 1.904236 14.29552 
1 1 1   -3    8   29 o  263.944   4.6917  472.128   16.778  459.317   23.510  485.423   23.951  260.296   6.6651  267.592   6.6050 -7.296143 9.383475 
1 1 1   -3    8   30 o  672.649   9.8613  3101.81   85.403  2979.42  144.046  3168.15  106.053  662.059   16.055  683.240   11.454 -21.18164 19.72251 
1 1 1   -3    8   31 o  737.731   10.613  3665.32   99.471  3793.81  175.606  3604.62  120.703  746.798   17.352  728.663   12.224 18.13458 21.22544 
1 1 1   -3    8   32 o  314.863   6.0570  673.951   24.489  667.550   41.878  677.277   30.189  313.673   9.8522  316.052   7.0486 -2.379547 12.11396 
1 1 1   -3    8   33 o  396.617   5.5820  1066.80   30.002  1064.82   42.461  1068.77   42.396  396.249   7.9075  396.985   7.8808 -0.7358398 11.16404 
1 1 1   -3    8   34 o  712.395   10.396  3459.71   94.724  3420.22  163.185  3479.77  116.329  708.932   16.986  715.858   11.992 -6.926636 20.79241 
1 1 1   -3    8   35 o  641.182   7.7844  2790.71   67.633  2760.23   95.018  2822.02   96.290  637.634   10.996  644.729   11.021 -7.095398 15.56870 
1 1 1   -3    8   36 o  243.635   4.6527  402.300   15.351  381.694   21.470  423.849   21.956  237.253   6.6780  250.017   6.4804 -12.76402 9.305436 
1 1 1   -3    8   37 o  367.409   5.3839  914.470   26.787  870.892   37.179  961.510   38.627  358.316   7.6567  376.501   7.5708 -18.18509 10.76770 
1 1 1   -3    8   38 o  366.773   5.3825  912.308   26.749  929.173   38.205  896.091   37.463  370.097   7.6177  363.449   7.6064 6.647461 10.76508 
1 1 1   -3    8   39 o  394.930   5.5918  1058.24   29.926  1050.33   42.233  1066.22   42.411  393.445   7.9210  396.414   7.8949 -2.968140 11.18360 
1 1 1   -3    8   40 o  532.916   8.3645  1933.95   56.841  1940.28   69.551  1921.22   98.632  534.535   9.6017  531.297   13.699 3.238220 16.72906 
1 1 1   -3    8   41 o  511.994   13.299  1784.34   92.274   0.0000   0.0000  1784.34   92.274  ?   ?   511.994   13.299      ?      ? 
1 1 1   -3    8   42 o  493.224   6.4308  1652.11   42.982  1640.71   60.619  1663.65   60.955  491.511   9.1010  494.937   9.0881 -3.425903 12.86167 
1 1 1   -3    8   43 o  297.601   4.9324  599.695   19.866  559.400   27.442  644.063   28.796  287.116   7.0529  308.087   6.8971 -20.97192 9.864798 
1 1 1   -3    8   44 o  259.617   4.7354  457.302   16.654  441.250   23.409  473.755   23.699  255.000   6.7743  264.234   6.6185 -9.234573 9.470762 
1 1 1   -3    8   45 o  403.867   8.0623  1107.69   44.125  1107.69   44.125   0.0000   0.0000  403.867   8.0623  ?   ?       ?      ? 
1 1 1   -3    8   46 o  340.222   6.4179  805.759   28.331  861.448   36.011  715.300   45.896  356.193   7.4605  324.251   10.445 31.94205 12.83581 
1 1 1   -3    8   47 o   90.306   6.2955   54.829   7.5978   52.029   9.8495   58.943   11.939   87.508   8.3058   93.103   9.4630 -5.595345 12.59106 
1 1 1   -3    8   48 o  279.468   6.9047  530.264   26.149  530.264   26.149   0.0000   0.0000  279.468   6.9047  ?   ?       ?      ? 
1 1 1   -3    8   49 o  296.500   4.9674  596.373   19.943  564.219   27.758  630.678   28.672  288.241   7.1065  304.760   6.9424 -16.51932 9.934757 
1 1 1   -3    8   50 o  118.612   4.9540   94.891   7.9275  108.379   11.723   83.525   10.761  126.332   6.8476  110.893   7.1610 15.43884 9.908032 
1 1 1   -3    8   51 o  193.921   5.7034  260.165   13.984  242.754   24.256  268.833   17.115  188.855   9.4778  198.987   6.3470 -10.13254 11.40670 
1 1 1   -3    8   52 o  180.217   5.6354  216.804   12.846  231.894   23.043  209.999   15.474  184.583   9.2122  175.852   6.4936 8.731049 11.27083 
1 1 1   -3    8   53 o  117.226   6.1358   93.708   9.0780   92.940   16.058   94.069   11.005  116.782   10.147  117.670   6.9017 -0.8884659 12.27162 
1 1 1   -3    8   54 o  208.300   5.6748  295.754   15.034  293.225   26.205  296.994   18.355  207.497   9.3195  209.103   6.4777 -1.605713 11.34956 
1 1 1   -3    8   55 o  171.374   4.6648  198.787   10.803  220.915   15.774  179.239   14.826  180.333   6.4547  162.416   6.7362 17.91690 9.329511 
1 1 1   -3    8   56 o  186.988   6.6548  237.594   16.863  237.594   16.863   0.0000   0.0000  186.988   6.6548  ?   ?       ?      ? 
1 1 1   -3    8   57 o  168.497   5.9014  192.374   12.613  190.709   15.313  195.886   22.244  167.507   6.7460  169.486   9.6848 -1.979355 11.80272 
1 1 1   -3    8   58 o   67.639   7.0309   31.199   6.4357   33.518   9.2255   29.000   8.9822   70.097   9.7120   65.181   10.169 4.916565 14.06178 
1 1 1   -3    8   59 f  223.485   4.7372  339.452   14.341  326.189   20.105  353.189   20.462  219.034   6.7736  227.936   6.6244 -8.902252 9.474391 
1 1 1   -3    8   60 o  214.913   4.7538  313.745   13.837  328.106   19.907  300.320   19.247  219.670   6.6872  210.155   6.7585 9.514938 9.507692 
1 1 1   -3    8   61 o  293.603   5.1208  584.006   20.321  530.624   27.791  645.346   29.790  279.230   7.3444  307.976   7.1380 -28.74664 10.24164 
1 1 1   -3    8   62 o  255.384   6.9759  443.748   24.142  443.748   24.142   0.0000   0.0000  255.384   6.9759  ?   ?       ?      ? 
1 1 1   -3    8   63 o   87.274   6.2297   51.903   7.3587   55.661   10.593   48.399   10.230   90.334   8.6532   84.215   8.9643 6.119148 12.45943 
1 1 1   -3    8   64 o  222.258   4.8589  336.212   14.633  331.233   20.683  341.202   20.707  220.603   6.9186  223.912   6.8242 -3.308838 9.717824 
1 1 1   -3    8   65 o  169.155   5.8985  199.534   12.957  212.164   16.462  178.968   21.007  176.534   6.8814  161.777   9.5821 14.75717 11.79705 
1 1 1   -3    8   66 o  160.885   4.9652  177.002   10.778  160.358   15.391  193.021   15.099  153.386   7.4045  168.384   6.6172 -14.99806 9.930455 
1 1 1   -3    8   67 o  140.199   6.2698  133.314   11.077  137.397   19.827  131.461   13.355  141.517   10.338  138.881   7.0961 2.635483 12.53951 
1 1 1   -3    8   68 o  105.910   5.6685   76.677   8.1179   75.854   11.841   77.407   11.151  105.343   8.2946  106.477   7.7282 -1.134262 11.33692 
1 1 1   -3    8   69 o   81.923   6.5643   46.595   7.1786   38.078   10.276   54.713   10.032   74.420   10.189   89.427   8.2786 -15.00687 13.12861 
1 1 1   -3    8   70 o  133.049   6.6471  126.848   10.970  107.740   19.126  136.217   13.392  124.853   11.304  141.246   6.9968 -16.39368 13.29429 
1 1 1   -3    8   71 o  117.633   6.8940   98.135   10.104   87.761   17.747  103.111   12.290  112.489   11.642  122.778   7.3867 -10.28979 13.78800 
1 1 1   -3    8   72 o   79.878   9.3190   48.017   8.7382   51.923   10.497   39.203   15.769   86.874   8.9167   72.882   16.367 13.99184 18.63806 
1 1 1   -3    8   73 f  181.312   4.9693  224.973   12.163  199.421   16.915  252.335   17.503  170.577   7.3175  192.047   6.7255 -21.47032 9.938688 
1 1 1   -3    8   74 o  128.646   5.2028  113.551   9.0685  115.808   12.980  111.400   12.675  129.891   7.3741  127.402   7.3416 2.488701 10.40558 
1 1 1   -3    8   75 o   82.495   6.2883   47.086   7.0250   47.075   10.120   47.096   9.7595   82.453   9.0572   82.536   8.7257 -0.8251190E-01 12.57659 
1 1 1   -3    8   76 o  105.974   5.5002   77.481   7.8969   76.630   11.251   78.307   11.087  105.376   7.8788  106.572   7.6768 -1.195801 11.00038 
1 1 1   -3    8   77 o   50.461   8.3761   18.307   6.0338   27.502   8.6944   9.7635   8.3805   62.628   10.244   38.293   13.255 24.33500 16.75228 
1 1 1   -3    8   78 o  109.297   5.4976   82.739   8.1314   88.553   11.604   77.130   11.398  113.132   7.5690  105.463   7.9753 7.668831 10.99524 
1 1 1   -3    8   79 o  156.505   5.0064  169.442   10.588  185.835   15.112  153.634   14.840  164.068   6.7970  148.943   7.3524 15.12497 10.01284 
1 1 1   -3    8   80 o  127.547   7.3606  116.313   12.521   92.635   17.540  140.914   17.878  113.638   11.390  141.455   9.3266 -27.81693 14.72126 
1 1 1   -3    8   81 o   30.291   9.3695  -0.6705   7.2756   1.0986   10.891  -2.0965   9.7776   32.163   13.836   28.419   12.638 3.744514 18.73907 
1 1 1   -3    8   82 o   99.138   7.2894   71.852   9.2071   65.841   15.532   75.109   11.432   94.857   12.083  103.418   8.1575 -8.560867 14.57876 
1 1 1   -3    8   83 o   71.508   13.863   39.512   12.949   0.0000   0.0000   39.512   12.949  ?   ?    71.508   13.863      ?      ? 
1 1 1   -3    8   84 o   40.202   10.366   2.2570   8.8174 -13.0888   11.355   25.561   13.993   24.798   11.872   55.606   16.997 -30.80835 20.73250 
1 1 1   -3    8   85 o   79.408   15.497   50.674   16.077   0.0000   0.0000   50.674   16.077  ?   ?    79.408   15.497      ?      ? 
1 1 1   -3    8   86 o   27.411   9.0484 -10.0681   8.1355 -16.2640   10.486  -0.6972   12.895   22.192   10.811   32.631   14.512 -10.43891 18.09671 
1 1 1   -3    8   87 o   66.824   11.201   36.043   10.002   27.976   13.132   47.187   15.435   57.683   16.156   75.965   15.518 -18.28235 22.40175 
1 1 1   -3    8   88 o   97.153   9.6863   70.248   11.787   45.432   15.164  108.134   18.736   74.156   15.585  120.150   11.507 -45.99423 19.37264 
1 1 1   -3    8   89 f   63.551   11.688   34.116   10.107   28.989   13.278   41.178   15.584   58.068   16.239   69.034   16.814 -10.96640 23.37540 
1 1 1   -3    8   90 o   44.810   11.683   16.517   9.4305   18.673   12.439   13.603   14.461   46.920   16.154   42.701   16.881 4.219078 23.36522 
1 1 1   -3    8   91 o   37.577   10.999   8.4039   9.1336   9.4110   12.157   7.0990   13.839   37.904   15.311   37.249   15.797 0.6554565 21.99891 
1 1 1   -3    8   92 o   45.427   10.580   14.717   9.6539   32.936   13.198  -6.2512   14.158   60.863   15.846   29.992   14.022 30.87158 21.15936 
1 1 1   -3    8   93 o   35.460   15.185   6.5138   13.012   6.5138   13.012   0.0000   0.0000   35.460   15.185  ?   ?       ?      ? 
1 1 1   -3    8   94 o   51.487   17.453   26.663   14.511   26.663   14.511   0.0000   0.0000   51.487   17.453  ?   ?       ?      ? 
1 1 1   -3    8   95 o   54.602   17.354   30.843   14.439   30.843   14.439   0.0000   0.0000   54.602   17.354  ?   ?       ?      ? 
1 1 1   -3    8   96 o   31.136   14.175   1.6798   13.149   1.6798   13.149   0.0000   0.0000   31.136   14.175  ?   ?       ?      ? 
1 1 1   -3    9    1 o  403.319   5.5698  1102.05   30.431  1077.82   42.334  1127.96   43.772  398.737   7.8347  407.902   7.9188 -9.165161 11.13960 
1 1 1   -3    9    2 o  407.386   5.6063  1124.99   30.947  1118.06   43.379  1132.17   44.162  406.110   7.8824  408.662   7.9745 -2.551880 11.21267 
1 1 1   -3    9    3 o  685.034   8.1667  3175.97   75.719  3036.51  103.993  3333.32  110.466  669.071   11.470  700.997   11.629 -31.92676 16.33337 
1 1 1   -3    9    4 o  1258.31   14.042 10756.38  239.342 10506.10  332.831 11024.40  344.430  1243.19   19.756  1273.44   19.959 -30.25305 28.08331 
1 1 1   -3    9    5 o  939.384   10.711  5988.44  136.318  5885.66  190.401  6096.52  195.258  931.125   15.090  947.643   15.205 -16.51813 21.42155 
1 1 1   -3    9    6 o  672.072   8.0329  3063.41   73.154  3036.61  102.684  3091.02  104.243  669.090   11.325  675.054   11.395 -5.963867 16.06571 
1 1 1   -3    9    7 o  761.824   10.954  3969.34  107.205  3848.08  182.108  4033.65  132.620  752.603   17.856  771.045   12.692 -18.44171 21.90726 
1 1 1   -3    9    8 o  547.023   8.4084  2033.99   58.853  2017.52  101.413  2042.36   72.267  545.242   13.725  548.804   9.7172 -3.561951 16.81684 
1 1 1   -3    9    9 o  403.528   6.8694  1094.34   35.294  1132.81   62.063  1075.95   42.907  408.670   11.207  398.386   7.9478 10.28339 13.73884 
1 1 1   -3    9   10 o  441.048   7.2130  1320.86   40.745  1324.34   50.062  1314.04   70.126  441.972   8.3586  440.124   11.758 1.848297 14.42596 
1 1 1   -3    9   11 o  1053.35   23.843  7554.28  340.339   0.0000   0.0000  7554.28  340.339  ?   ?   1053.35   23.843      ?      ? 
1 1 1   -3    9   12 o  1089.99   14.219  8063.93  210.032  8063.93  210.032   0.0000   0.0000  1089.99   14.219  ?   ?       ?      ? 
1 1 1   -3    9   13 o  524.493   7.6646  1861.51   47.139  1857.22   54.381  1874.46   94.541  523.414   7.6669  525.571   13.274 -2.156860 15.32922 
1 1 1   -3    9   14 o  499.388   7.4139  1708.75   43.784  1727.37   50.900  1655.79   85.857  504.791   7.4409  493.986   12.826 10.80478 14.82779 
1 1 1   -3    9   15 o  842.079   11.968  4885.31  130.408  5061.15  163.541  4578.29  216.102  863.522   13.976  820.636   19.432 42.88556 23.93607 
1 1 1   -3    9   16 o  693.024   10.068  3244.19   88.880  3213.79  108.299  3306.92  155.556  688.286   11.611  697.761   16.451 -9.475342 20.13601 
1 1 1   -3    9   17 o  609.990   8.6101  2522.86   71.173  2522.86   71.173   0.0000   0.0000  609.990   8.6101  ?   ?       ?      ? 
1 1 1   -3    9   18 o  482.115   7.2584  1575.69   47.421  1575.69   47.421   0.0000   0.0000  482.115   7.2584  ?   ?       ?      ? 
1 1 1   -3    9   19 o  334.475   6.2142  762.593   26.610  770.990   32.751  746.282   45.644  337.241   7.1663  331.709   10.154 5.531097 12.42839 
1 1 1   -3    9   20 o  131.253   5.2501  119.771   8.2135  123.261   9.6359  110.496   15.707  134.858   5.2727  127.649   9.0803 7.209106 10.50017 
1 1 1   -3    9   21 o  582.416   7.1919  2300.79   56.761  2322.44   80.447  2279.33   80.098  585.145   10.145  579.686   10.196 5.458923 14.38379 
1 1 1   -3    9   22 o  565.611   7.0186  2169.85   53.794  2188.84   76.370  2151.14   75.787  568.068   9.9206  563.154   9.9309 4.914368 14.03711 
1 1 1   -3    9   24 o  522.777   6.6413  1853.42   47.046  1880.33   66.983  1827.22   66.092  526.522   9.3878  519.033   9.3966 7.488525 13.28260 
1 1 1   -3    9   25 o  612.331   7.4821  2544.02   62.086  2535.08   87.738  2552.98   87.867  611.254   10.592  613.409   10.570 -2.154907 14.96422 
1 1 1   -3    9   26 o  215.008   5.4016  317.637   15.009  299.218   24.983  328.039   18.775  210.040   8.7773  219.976   6.2982 -9.935608 10.80315 
1 1 1   -3    9   27 o  220.391   5.5292  339.566   15.698  293.707   25.633  367.087   19.857  208.085   9.0902  232.698   6.2972 -24.61346 11.05832 
1 1 1   -3    9   28 o  307.491   5.9313  635.053   23.403  660.459   40.558  622.372   28.654  312.011   9.5924  302.972   6.9791 9.039368 11.86263 
1 1 1   -3    9   29 o  152.656   4.5458  158.062   9.3967  150.774   13.275  165.380   13.303  149.126   6.5691  156.186   6.2852 -7.060684 9.091565 
1 1 1   -3    9   30 o  365.275   5.3536  904.639   26.497  886.485   37.179  923.377   37.773  361.551   7.5883  368.999   7.5539 -7.447937 10.70716 
1 1 1   -3    9   31 o  439.062   7.3273  1313.10   41.049  1294.53   71.015  1322.42   50.304  436.594   12.003  441.531   8.4073 -4.937469 14.65454 
1 1 1   -3    9   32 o  476.738   6.2820  1541.33   40.575  1576.91   58.163  1507.60   56.630  482.094   8.9029  471.383   8.8652 10.71069 12.56400 
1 1 1   -3    9   33 o  241.021   4.6268  393.781   15.109  402.658   21.596  385.270   21.146  243.681   6.5399  238.361   6.5466 5.319733 9.253527 
1 1 1   -3    9   35 o  454.646   6.0742  1402.65   37.422  1414.50   53.212  1391.05   52.639  456.546   8.6009  452.747   8.5796 3.799164 12.14845 
1 1 1   -3    9   36 o  539.574   6.8263  1976.88   49.913  1973.71   70.622  1980.04   70.554  539.141   9.6662  540.006   9.6414 -0.8658447 13.65250 
1 1 1   -3    9   37 o  357.783   6.5276  838.627   29.323  792.086   34.923  949.872   53.992  341.669   7.5426  373.896   10.656 -32.22647 13.05529 
1 1 1   -3    9   38 o  186.914   5.6813  235.615   13.436  232.953   16.262  241.342   23.852  185.317   6.4754  188.512   9.3370 -3.194260 11.36262 
1 1 1   -3    9   39 o  253.896   6.6694  437.337   22.947  437.337   22.947   0.0000   0.0000  253.896   6.6694  ?   ?       ?      ? 
1 1 1   -3    9   40 o  129.455   4.7860  113.830   8.3870  109.269   11.964  118.238   11.760  126.897   6.9574  132.012   6.5739 -5.115700 9.571955 
1 1 1   -3    9   41 o  229.984   4.6111  358.546   14.347  330.589   19.975  388.335   20.620  220.725   6.6783  239.243   6.3601 -18.51834 9.222237 
1 1 1   -3    9   42 o  131.837   4.7282  117.771   8.4408  123.089   12.223  112.924   11.670  134.677   6.6975  128.997   6.6760 5.680359 9.456447 
1 1 1   -3    9   43 o  214.629   4.5801  312.659   13.318  304.135   18.821  321.206   18.847  211.694   6.5608  217.563   6.3927 -5.868851 9.160260 
1 1 1   -3    9   44 o  194.655   5.6958  269.132   14.264  306.947   18.399  212.156   22.584  212.670   6.3841  176.640   9.4347 36.02986 11.39165 
1 1 1   -3    9   45 o  187.263   5.3948  234.757   13.191  225.927   16.430  250.769   22.126  182.435   6.6460  192.091   8.4998 -9.655960 10.78960 
1 1 1   -3    9   46 o  129.531   6.9769  113.928   12.247  113.928   12.247   0.0000   0.0000  129.531   6.9769  ?   ?       ?      ? 
1 1 1   -3    9   47 o  285.474   4.9147  552.986   19.005  570.003   27.351  537.098   26.428  289.716   6.9665  281.232   6.9344 8.483734 9.829463 
1 1 1   -3    9   48 o  448.845   6.1039  1369.96   37.124  1376.41   52.866  1363.69   52.145  449.880   8.6715  447.811   8.5928 2.068909 12.20785 
1 1 1   -3    9   49 o  322.460   6.3418  703.255   25.918  719.390   45.835  695.671   31.425  324.930   10.409  319.989   7.2469 4.940918 12.68365 
1 1 1   -3    9   50 o   92.602   6.0018   60.122   7.2657   43.208   10.494   75.694   10.069   79.650   9.7225  105.553   7.0397 -25.90218 12.00350 
1 1 1   -3    9   51 f  243.150   4.8254  402.017   15.886  387.135   22.637  416.455   22.298  238.696   6.9984  247.604   6.6455 -8.907974 9.650882 
1 1 1   -3    9   52 o  308.677   6.2440  642.521   24.448  665.959   43.301  631.554   29.620  312.524   10.224  304.829   7.1705 7.694580 12.48805 
1 1 1   -3    9   53 o  252.757   4.8367  434.327   16.551  411.021   23.336  457.915   23.477  245.914   7.0027  259.600   6.6736 -13.68648 9.673438 
1 1 1   -3    9   54 o  191.261   4.7034  248.535   12.187  250.688   17.468  246.492   17.012  192.063   6.7115  190.459   6.5912 1.603897 9.406868 
1 1 1   -3    9   55 o  182.403   5.8987  226.308   13.706  225.900   16.735  227.139   23.887  182.302   6.7742  182.503   9.6585 -0.2007904 11.79733 
1 1 1   -3    9   56 o  325.751   5.2363  721.881   23.113  719.078   32.852  724.629   32.525  325.116   7.4566  326.386   7.3536 -1.270447 10.47268 
1 1 1   -3    9   57 o  268.447   4.9542  489.859   18.003  459.265   25.168  521.919   25.763  259.847   7.1473  277.047   6.8623 -17.19971 9.908338 
1 1 1   -3    9   58 o  150.986   4.9543  155.130   10.131  152.516   14.494  157.627   14.167  149.730   7.1433  152.242   6.8668 -2.511459 9.908602 
1 1 1   -3    9   59 o  214.140   6.8956  311.919   20.010  311.919   20.010   0.0000   0.0000  214.140   6.8956  ?   ?       ?      ? 
1 1 1   -3    9   60 o  177.436   4.8275  214.286   11.591  199.976   16.320  228.850   16.465  171.435   7.0248  183.437   6.6234 -12.00238 9.654922 
1 1 1   -3    9   61 o   64.653   7.9046   29.871   6.6030   22.569   9.5792   36.481   9.1144   56.205   12.856   73.101   9.2007 -16.89572 15.80912 
1 1 1   -3    9   62 o  182.683   4.8235  227.385   11.927  217.821   17.023  236.607   16.716  178.882   7.0222  186.485   6.6147 -7.602905 9.647048 
1 1 1   -3    9   63 o  149.068   5.0351  151.482   10.158  147.657   14.627  155.046   14.119  147.225   7.3313  150.910   6.9038 -3.684311 10.07029 
1 1 1   -3    9   64 o  188.542   6.7458  238.960   17.078  286.714   26.118  203.294   22.572  204.733   9.4140  172.351   9.6643 32.38135 13.49159 
1 1 1   -3    9   65 o  132.125   6.2098  109.814   10.427  147.714   19.234   94.041   12.408  146.855   9.6651  117.395   7.7996 29.45939 12.41969 
1 1 1   -3    9   66 o  161.883   7.1024  178.702   15.581  178.702   15.581   0.0000   0.0000  161.883   7.1024  ?   ?       ?      ? 
1 1 1   -3    9   67 o  182.898   4.8876  228.433   12.084  209.042   17.024  248.125   17.156  175.018   7.1777  190.778   6.6358 -15.75937 9.775152 
1 1 1   -3    9   68 o  154.009   4.9998  162.168   10.419  152.978   14.809  171.173   14.660  149.644   7.3029  158.374   6.8309 -8.730362 9.999682 
1 1 1   -3    9   69 o  145.806   5.1846  146.108   10.176  127.770   14.465  164.078   14.319  136.612   7.8134  155.001   6.8170 -18.38899 10.36917 
1 1 1   -3    9   70 o  155.573   7.2988  167.296   15.386  167.518   21.644  167.069   21.878  155.697   10.258  155.450   10.386 0.2466431 14.59755 
1 1 1   -3    9   71 o   63.479   8.2161   28.853   6.7998   29.481   9.8909   28.289   9.3635   64.094   11.823   62.863   11.412 1.231319 16.43226 
1 1 1   -3    9   72 o   70.710   7.1280   34.582   6.7941   39.734   9.8786   29.958   9.3591   75.766   9.6213   65.653   10.520 10.11339 14.25593 
1 1 1   -3    9   73 o  118.750   5.2850   96.922   8.5028   97.222   12.166   96.636   11.889  118.912   7.5496  118.588   7.3980 0.3244476 10.57010 
1 1 1   -3    9   74 o   74.919   6.7085   38.941   6.8015   41.892   9.8412   36.242   9.4108   77.659   9.3513   72.180   9.6211 5.479080 13.41692 
1 1 1   -3    9   75 o  107.576   5.5983   80.446   8.0562   65.310   11.301   96.087   11.488   97.038   8.5939  118.115   7.1771 -21.07733 11.19664 
1 1 1   -3    9   76 o  105.342   5.6006   76.988   7.9811   72.955   11.397   80.868   11.180  102.548   8.2014  108.136   7.6293 -5.587608 11.20127 
1 1 1   -3    9   77 o   83.163   6.3409   48.334   7.1171   54.145   10.216   42.853   9.9209   88.135   8.5535   78.191   9.3630 9.944038 12.68180 
1 1 1   -3    9   78 o   95.490   7.1441   59.116   8.7512   82.602   15.822   48.765   10.504  107.698   10.841   83.283   9.3073 24.41521 14.28828 
1 1 1   -3    9   79 o   92.123   11.013   60.843   13.749   0.0000   0.0000   60.843   13.749  ?   ?    92.123   11.013      ?      ? 
1 1 1   -3    9   80 o   58.010   10.711   27.287   8.7755   18.737   13.367   33.763   11.633   49.420   16.751   66.600   13.355 -17.18052 21.42292 
1 1 1   -3    9   81 o   45.233   10.336   12.928   7.1002   24.685   12.545   7.3877   8.6122   55.514   15.877   34.953   13.238 20.56099 20.67190 
1 1 1   -3    9   82 o  108.840   8.6594   85.524   12.470   63.643   16.442  115.159   19.135   92.115   13.171  125.565   11.245 -33.44966 17.31888 
1 1 1   -3    9   83 o   96.581   9.1213   68.961   11.837   59.452   15.656   81.652   18.088   88.861   13.001  104.301   12.797 -15.44009 18.24250 
1 1 1   -3    9   84 o   39.311   11.292   8.5816   9.3272   9.8505   11.931   6.5875   14.957   39.445   15.413   39.177   16.507 0.2686462 22.58438 
1 1 1   -3    9   85 o   84.984   15.463   58.451   17.152   0.0000   0.0000   58.451   17.152  ?   ?    84.984   15.463      ?      ? 
1 1 1   -3    9   86 f   68.267   11.454   38.169   10.251   34.359   13.108   44.167   16.446   64.635   15.218   71.899   17.124 -7.264275 22.90897 
1 1 1   -3    9   87 o   93.802   9.5354   65.346   11.509   49.126   14.631   91.671   18.639   78.131   14.347  109.473   12.564 -31.34212 19.07075 
1 1 1   -3    9   88 o   74.505   10.946   47.551   10.691   54.427   14.012   37.975   16.537   84.267   12.271   64.743   18.129 19.52393 21.89102 
1 1 1   -3    9   89 o   41.979   11.166   13.750   8.9966   18.191   11.403   6.4270   14.643   46.368   15.472   37.590   16.103 8.778461 22.33154 
1 1 1   -3    9   90 o   38.662   11.094   8.8860   8.9854   4.2790   11.537   15.990   14.326   33.412   14.303   43.912   16.963 -10.49998 22.18833 
1 1 1   -3    9   91 o   61.988   11.313   35.993   10.299   48.708   14.079   21.358   15.104   76.173   14.160   47.803   17.648 28.37014 22.62674 
1 1 1   -3    9   92 o   55.253   12.185   29.492   10.260   23.733   14.155   35.869   14.894   49.466   17.221   61.040   17.245 -11.57460 24.37060 
1 1 1   -3    9   93 o   53.175   17.528   28.863   14.650   28.863   14.650   0.0000   0.0000   53.175   17.528  ?   ?       ?      ? 
1 1 1   -3    9   94 o   26.840   12.792  -8.0345   12.875  -8.0345   12.875   0.0000   0.0000   26.840   12.792  ?   ?       ?      ? 
1 1 1   -3    9   95 o   76.311   16.288   57.254   16.331   57.254   16.331   0.0000   0.0000   76.311   16.288  ?   ?       ?      ? 
1 1 1   -3   10    1 o  685.957   11.573  3196.24  107.576  3183.14  151.813  3209.45  152.460  684.546   16.365  687.369   16.367 -2.822754 23.14560 
1 1 1   -3   10    2 o  723.373   12.103  3553.36  118.604  3469.55  165.368  3642.13  170.198  714.599   17.077  732.147   17.154 -17.54724 24.20509 
1 1 1   -3   10    3 o  397.664   6.7697  1057.39   34.160  1030.76   41.317  1114.91   60.725  389.920   7.8193  405.407   11.053 -15.48685 13.53943 
1 1 1   -3   10    4 o  396.599   6.8038  1073.79   34.508  1088.57   42.457  1045.03   59.236  400.707   7.8187  392.492   11.137 8.214325 13.60759 
1 1 1   -3   10    5 o  416.546   6.9932  1177.78   37.229  1179.86   45.633  1173.64   64.378  417.161   8.0723  415.931   11.422 1.229889 13.98635 
1 1 1   -3   10    6 o  306.454   5.8948  618.780   23.241  693.139   40.692  582.778   28.314  319.705   9.3923  293.203   7.1261 26.50162 11.78969 
1 1 1   -3   10    7 o  476.695   6.2427  1540.83   40.325  1537.85   56.722  1543.87   57.340  476.232   8.7892  477.159   8.8678 -0.9271240 12.48550 
1 1 1   -3   10    8 o  685.734   8.2080  3174.79   76.073  2974.25  103.141  3414.04  112.655  662.110   11.495  709.358   11.719 -47.24774 16.41590 
1 1 1   -3   10    9 o  556.058   6.9625  2096.84   52.461  2130.80   74.589  2063.59   73.800  560.514   9.8199  551.601   9.8730 8.913086 13.92502 
1 1 1   -3   10   10 o  377.953   5.4402  968.568   27.861  978.220   39.263  958.780   39.541  379.852   7.6275  376.055   7.7592 3.797089 10.88040 
1 1 1   -3   10   11 o  444.990   7.2781  1340.41   41.306  1335.06   50.455  1351.28   71.929  443.728   8.3908  446.252   11.894 -2.523376 14.55618 
1 1 1   -3   10   12 o  400.161   6.4639  1085.46   35.052  1085.46   35.052   0.0000   0.0000  400.161   6.4639  ?   ?       ?      ? 
1 1 1   -3   10   13 o  297.903   5.6745  601.523   22.908  601.523   22.908   0.0000   0.0000  297.903   5.6745  ?   ?       ?      ? 
1 1 1   -3   10   14 o  290.165   9.6291  571.061   37.863   0.0000   0.0000  571.061   37.863  ?   ?   290.165   9.6291      ?      ? 
1 1 1   -3   10   15 o  443.749   7.2337  1309.79   40.615  1265.69   48.908  1407.79   72.906  432.034   8.3536  455.464   11.812 -23.42929 14.46745 
1 1 1   -3   10   16 o  328.714   7.2485  732.829   32.281  741.137   46.259  724.943   45.069  330.527   10.328  326.902   10.174 3.625183 14.49698 
1 1 1   -3   10   17 o  356.938   10.765  864.436   52.069  864.436   52.069   0.0000   0.0000  356.938   10.765  ?   ?       ?      ? 
1 1 1   -3   10   18 o  306.201   6.0671  633.114   23.600  628.057   28.689  643.696   41.504  304.365   6.9557  308.037   9.9427 -3.671509 12.13420 
1 1 1   -3   10   19 o  314.687   6.0558  664.169   24.323  650.003   29.609  693.561   42.652  309.632   7.0567  319.743   9.8436 -10.11151 12.11168 
1 1 1   -3   10   20 o  542.711   8.3757  2000.64   58.165  2003.31   71.378  1995.37  100.349  543.414   9.6929  542.008   13.662 1.406006 16.75139 
1 1 1   -3   10   21 o  799.717   11.413  4336.89  116.415  4314.10  142.185  4383.24  202.762  797.006   13.165  802.427   18.647 -5.421265 22.82549 
1 1 1   -3   10   22 o  988.092   13.847  6740.17  176.966  6969.03  221.718  6338.45  293.747  1012.34   16.162  963.839   22.490 48.50549 27.69467 
1 1 1   -3   10   23 o  723.473   9.8784  3540.75   83.737  3525.48   96.526  3587.21  168.341  720.830   9.8817  726.115   17.108 -5.284973 19.75689 
1 1 1   -3   10   24 o  375.117   10.723  955.034   54.510   0.0000   0.0000  955.034   54.510  ?   ?   375.117   10.723      ?      ? 
1 1 1   -3   10   25 o  407.565   5.6870  1126.53   31.408  1116.05   44.182  1137.24   44.658  405.649   8.0373  409.481   8.0478 -3.831940 11.37394 
1 1 1   -3   10   26 o  186.310   4.5167  235.342   11.401  228.180   16.054  242.628   16.193  183.449   6.4576  189.171   6.3168 -5.721359 9.033449 
1 1 1   -3   10   27 o  301.463   10.104  616.844   41.277  616.844   41.277   0.0000   0.0000  301.463   10.104  ?   ?       ?      ? 
1 1 1   -3   10   28 o  314.890   6.2713  683.488   25.141  640.939   43.105  705.424   30.950  307.264   10.352  322.516   7.0816 -15.25262 12.54260 
1 1 1   -3   10   29 o  250.138   6.5898  424.302   22.337   0.0000   0.0000  424.302   22.337  ?   ?   250.138   6.5898      ?      ? 
1 1 1   -3   10   30 o  411.326   5.7245  1147.74   31.906  1164.68   45.434  1131.25   44.817  414.321   8.0921  408.330   8.0993 5.990936 11.44905 
1 1 1   -3   10   31 o  241.672   6.5750  396.108   21.533   0.0000   0.0000  396.108   21.533  ?   ?   241.672   6.5750      ?      ? 
1 1 1   -3   10   32 o  342.142   5.2040  793.876   24.124  774.636   33.765  813.938   34.478  337.908   7.3736  346.375   7.3454 -8.467529 10.40797 
1 1 1   -3   10   33 o  263.293   4.7429  470.237   16.922  470.156   23.971  470.317   23.893  263.270   6.7190  263.316   6.6959 -0.4602051E-01 9.485804 
1 1 1   -3   10   34 o  346.941   10.628  818.019   49.969   0.0000   0.0000  818.019   49.969  ?   ?   346.941   10.628      ?      ? 
1 1 1   -3   10   35 o  117.255   6.3353   96.149   9.2768  101.047   11.293   85.986   16.267  122.039   6.8286  112.471   10.673 9.568336 12.67062 
1 1 1   -3   10   36 o   93.903   5.3713   59.792   6.8308   62.812   9.8193   56.961   9.5087   96.200   7.5322   91.607   7.6597 4.592422 10.74267 
1 1 1   -3   10   37 o  245.019   4.6722  407.336   15.512  401.403   21.888  413.324   21.988  243.225   6.6406  246.813   6.5742 -3.588638 9.344359 
1 1 1   -3   10   38 o  245.942   4.6898  410.430   15.629  402.496   22.012  418.496   22.194  243.543   6.6696  248.341   6.5950 -4.797516 9.379618 
1 1 1   -3   10   39 f  347.738   5.2784  820.975   24.874  825.169   35.204  816.794   35.149  348.626   7.4517  346.850   7.4780 1.776093 10.55688 
1 1 1   -3   10   40 f  184.373   4.5888  230.653   11.463  233.207   16.387  228.206   16.042  185.371   6.5233  183.376   6.4556 1.995316 9.177630 
1 1 1   -3   10   41 o  205.662   5.5659  289.430   14.833  294.783   18.541  279.916   24.720  208.400   6.5654  202.924   8.9895 5.476868 11.13177 
1 1 1   -3   10   42 o  165.563   5.6745  192.896   12.118  212.446   15.457  161.726   19.518  176.916   6.4474  154.210   9.3397 22.70566 11.34895 
1 1 1   -3   10   43 o  147.935   8.9057  148.809   17.853   0.0000   0.0000  148.809   17.853  ?   ?   147.935   8.9057      ?      ? 
1 1 1   -3   10   44 o  136.023   4.7808  125.515   8.8048  128.347   12.771  122.948   12.156  137.480   6.8548  134.565   6.6660 2.914597 9.561604 
1 1 1   -3   10   45 o  148.293   4.7426  148.921   9.5170  159.522   13.866  139.479   13.086  153.270   6.6759  143.315   6.7380 9.954483 9.485147 
1 1 1   -3   10   46 o  168.720   5.6836  183.922   12.047  219.125   22.369  169.539   14.298  179.440   9.1989  158.000   6.6779 21.44040 11.36724 
1 1 1   -3   10   47 o  119.492   6.5334   99.683   9.5679   91.253   17.443  103.310   11.443  115.662   11.129  123.323   6.8471 -7.660553 13.06675 
1 1 1   -3   10   48 o  306.758   7.2436  639.500   30.111  639.500   30.111   0.0000   0.0000  306.758   7.2436  ?   ?       ?      ? 
1 1 1   -3   10   49 o  301.996   5.0804  619.887   20.788  618.246   29.654  621.472   29.148  301.594   7.2558  302.398   7.1130 -0.8041077 10.16078 
1 1 1   -3   10   50 o  174.344   5.7929  204.077   12.781  214.451   22.812  199.330   15.431  177.406   9.4887  171.281   6.6481 6.124863 11.58585 
1 1 1   -3   10   51 o  201.914   5.8803  282.229   14.952  264.367   26.155  290.900   18.223  196.910   9.8019  206.917   6.4988 -10.00717 11.76055 
1 1 1   -3   10   52 o  267.472   6.1188  491.499   21.000  500.952   25.972  473.648   35.691  271.446   7.0605  263.497   9.9954 7.949249 12.23762 
1 1 1   -3   10   53 o  307.376   6.3646  650.089   25.082  663.759   31.010  624.226   42.655  312.392   7.3252  302.361   10.410 10.03201 12.72925 
1 1 1   -3   10   54 o  204.036   4.7945  283.174   13.247  278.962   19.019  287.143   18.461  202.546   6.9292  205.525   6.6283 -2.979431 9.588953 
1 1 1   -3   10   55 o  229.618   4.8280  358.626   14.995  330.523   21.033  387.672   21.383  220.442   7.0409  238.794   6.6079 -18.35229 9.656010 
1 1 1   -3   10   56 o  139.551   7.4437  132.541   14.077  132.541   14.077   0.0000   0.0000  139.551   7.4437  ?   ?       ?      ? 
1 1 1   -3   10   57 o  176.882   4.9187  213.230   11.765  205.404   17.000  220.426   16.300  173.734   7.2206  180.031   6.6812 -6.297134 9.837461 
1 1 1   -3   10   58 o  272.745   7.1444  506.279   26.406  506.279   26.406   0.0000   0.0000  272.745   7.1444  ?   ?       ?      ? 
1 1 1   -3   10   59 o  126.466   5.2135  108.807   8.9188  110.476   13.052  107.344   12.216  127.359   7.5625  125.573   7.1785 1.786110 10.42699 
1 1 1   -3   10   60 o   82.579   6.4493   46.773   7.1826   43.886   10.470   49.340   9.8716   80.123   9.6430   85.035   8.5666 -4.911926 12.89865 
1 1 1   -3   10   61 o  114.054   5.4575   88.688   8.4137   88.514   12.338   88.840   11.503  113.925   7.9917  114.184   7.4342 -0.2589874 10.91493 
1 1 1   -3   10   62 o   88.236   9.0883   56.184   10.214   43.304   15.203   66.783   13.791   77.766   14.969   98.706   10.310 -20.94051 18.17658 
1 1 1   -3   10   63 o  163.120   6.8876  181.888   15.182  187.709   22.465  176.995   20.597  165.464   10.019  160.775   9.4538 4.688400 13.77511 
1 1 1   -3   10   64 o  139.166   5.1871  131.439   9.7554  144.878   14.380  119.979   13.279  145.729   7.2815  132.603   7.3895 13.12561 10.37424 
1 1 1   -3   10   65 o  209.208   4.9031  298.602   13.893  297.736   19.956  299.417   19.354  208.889   7.0499  209.526   6.8162 -0.6365204 9.806198 
1 1 1   -3   10   66 o  100.460   5.8359   69.282   7.9199   66.335   11.508   71.933   10.916   98.376   8.6324  102.544   7.8556 -4.168320 11.67171 
1 1 1   -3   10   67 o  155.758   6.1875  166.274   12.326  165.726   15.112  167.364   21.309  155.709   7.1617  155.807   10.092 -0.9814453E-01 12.37500 
1 1 1   -3   10   68 o   79.985   8.9097   46.613   8.8490   49.828   11.079   40.949   14.706   85.013   9.6170   74.958   15.001 10.05457 17.81937 
1 1 1   -3   10   69 o   64.495   9.7477   28.190   7.6911   36.298   14.330   24.910   9.1151   70.198   15.480   58.791   11.851 11.40780 19.49548 
1 1 1   -3   10   70 f  135.319   5.1794  125.752   9.4872  120.583   13.531  130.750   13.306  132.532   7.5339  138.105   7.1097 -5.572952 10.35888 
1 1 1   -3   10   71 o   88.389   6.2799   53.991   7.4618   63.363   10.784   45.383   10.335   95.856   8.3021   80.921   9.4247 14.93501 12.55989 
1 1 1   -3   10   72 o  109.628   5.5420   82.920   8.2159   76.344   11.558   89.635   11.681  105.164   8.1103  114.091   7.5551 -8.926407 11.08407 
1 1 1   -3   10   73 o   75.227   6.7903   39.578   6.8957   35.955   9.8029   43.127   9.7020   71.698   10.089   78.756   9.0906 -7.057869 13.58064 
1 1 1   -3   10   74 o   94.501   6.0860   62.078   7.7936   61.415   10.981   62.751   11.063   93.989   8.6214   95.014   8.5923 -1.025276 12.17192 
1 1 1   -3   10   75 o   87.685   9.0879   57.150   10.212   43.654   14.714   69.694   14.185   76.065   14.807   99.305   10.541 -23.23981 18.17590 
1 1 1   -3   10   76 o   67.921   10.055   38.530   8.4692   24.226   15.125   45.064   10.222   55.794   17.765   80.049   9.4231 -24.25541 20.10925 
1 1 1   -3   10   77 o  102.389   7.2693   75.805   9.4520   70.603   16.144   78.519   11.659   98.758   12.063  106.021   8.1151 -7.263008 14.53860 
1 1 1   -3   10   78 o   70.512   8.9138   33.386   8.0008   55.668   13.707   21.871   9.8537   87.682   11.536   53.343   13.592 34.33894 17.82756 
1 1 1   -3   10   79 f   66.107   10.193   33.590   9.2015   46.944   13.436   21.795   12.627   79.852   12.416   52.362   16.170 27.48939 20.38699 
1 1 1   -3   10   80 o   56.071   11.595   25.850   9.4267   28.426   12.438   22.372   14.450   59.587   15.318   52.555   17.412 7.032307 23.19095 
1 1 1   -3   10   81 o   28.830   9.3871  -5.8431   8.3952  -4.7144   11.036  -7.3931   12.933   28.265   12.914   29.396   13.627 -1.130766 18.77425 
1 1 1   -3   10   82 o  103.855   8.6950   80.089   12.190   74.201   16.385   87.389   18.243   99.748   12.122  107.963   12.469 -8.215172 17.39006 
1 1 1   -3   10   83 o   68.669   11.284   38.836   10.168   38.614   13.180   39.163   15.981   69.528   14.460   67.811   17.327 1.716072 22.56796 
1 1 1   -3   10   84 o   50.652   17.787   21.628   15.116   0.0000   0.0000   21.628   15.116  ?   ?    50.652   17.787      ?      ? 
1 1 1   -3   10   85 o   51.339   11.504   22.863   9.6617   29.890   12.446   12.207   15.326   59.983   15.272   42.695   17.210 17.28843 23.00897 
1 1 1   -3   10   86 o   63.196   11.521   31.987   10.083   20.960   12.829   49.800   16.306   49.603   16.405   76.788   16.180 -27.18488 23.04174 
1 1 1   -3   10   87 o   42.834   11.424   14.441   9.1258   16.728   11.842   11.097   14.319   44.936   15.745   40.731   16.558 4.204994 22.84894 
1 1 1   -3   10   88 o   38.561   10.758   9.5490   8.9269   16.384   11.608  -0.3459   13.966   44.193   15.580   32.930   14.838 11.26364 21.51520 
1 1 1   -3   10   89 o   49.456   12.062   22.210   9.7122   20.114   12.743   25.116   15.002   47.394   16.348   51.518   17.740 -4.123524 24.12390 
1 1 1   -3   10   90 o   50.870   11.663   23.047   9.7453   12.963   13.121   35.451   14.553   40.326   16.037   61.414   16.938 -21.08729 23.32521 
1 1 1   -3   10   91 o   42.765   11.221   15.304   9.4303   25.458   13.248   4.8724   13.427   51.264   16.656   34.266   15.042 16.99775 22.44291 
1 1 1   -3   10   92 o   29.011   13.395  -2.2461   12.314  -2.2461   12.314   0.0000   0.0000   29.011   13.395  ?   ?       ?      ? 
1 1 1   -3   10   93 o   27.929   13.102  -4.1487   12.540  -4.1487   12.540   0.0000   0.0000   27.929   13.102  ?   ?       ?      ? 
1 1 1   -3   11    1 o  370.718   6.6067  940.242   31.758  904.094   52.774  960.764   39.764  365.023   10.669  376.414   7.7954 -11.39163 13.21334 
1 1 1   -3   11    2 o  388.618   5.5533  1024.20   29.242  1034.38   41.182  1013.85   41.529  390.569   7.7809  386.668   7.9255 3.900696 11.10657 
1 1 1   -3   11    3 o  279.784   4.8339  529.809   18.308  511.747   25.197  550.011   26.647  274.743   6.7676  284.825   6.9039 -10.08286 9.667720 
1 1 1   -3   11    4 o  557.405   6.9914  2107.87   52.808  2126.99   74.652  2088.73   74.713  559.938   9.8382  554.872   9.9362 5.065430 13.98279 
1 1 1   -3   11    5 o  542.328   6.8673  1993.15   50.436  1940.78   69.770  2050.48   72.993  534.879   9.6256  549.776   9.7974 -14.89709 13.73467 
1 1 1   -3   11    6 o  237.366   5.7892  374.871   17.112  364.302   20.359  400.304   31.584  231.813   6.4811  242.919   9.5944 -11.10658 11.57833 
1 1 1   -3   11    7 f  501.014   8.0013  1698.61   50.820  1689.53   61.704  1717.78   89.605  499.082   9.1235  502.946   13.147 -3.863922 16.00263 
1 1 1   -3   11    8 f  646.480   9.6390  2841.83   79.316  2847.86   96.851  2829.57  138.216  647.793   11.033  645.167   15.809 2.625610 19.27810 
1 1 1   -3   11    9 o  504.139   6.5221  1723.66   44.549  1706.72   62.267  1741.42   63.763  501.606   9.1603  506.671   9.2867 -5.065704 13.04427 
1 1 1   -3   11   10 o  483.877   6.3496  1587.11   41.619  1648.82   59.665  1528.63   58.084  493.035   8.9302  474.719   9.0290 18.31659 12.69924 
1 1 1   -3   11   11 o  505.348   6.5262  1731.74   44.681  1705.53   62.357  1759.39   64.055  501.424   9.1770  509.273   9.2815 -7.849274 13.05236 
1 1 1   -3   11   12 o  336.617   5.9125  754.488   23.321  741.056   26.795  796.455   47.362  330.630   5.9804  342.605   10.201 -11.97470 11.82506 
1 1 1   -3   11   13 o  466.772   7.1276  1476.78   39.076  1475.20   45.131  1481.50   78.099  466.440   7.1399  467.105   12.338 -0.6650391 14.25513 
1 1 1   -3   11   14 o  778.254   10.523  4083.02   95.514  4050.93  109.762  4183.13  193.852  772.617   10.483  783.891   18.249 -11.27386 21.04563 
1 1 1   -3   11   15 o  423.549   6.7333  1220.39   33.574  1223.76   38.859  1210.46   66.680  424.844   6.7496  422.255   11.653 2.588806 13.46657 
1 1 1   -3   11   16 o  371.215   6.2194  917.445   26.980  901.103   30.958  969.064   55.021  364.573   6.2661  377.858   10.745 -13.28467 12.43881 
1 1 1   -3   11   17 o  525.621   7.7495  1884.21   48.015  1893.37   55.642  1857.51   95.018  528.374   7.7711  522.869   13.410 5.505249 15.49901 
1 1 1   -3   11   18 o  624.935   8.7862  2612.22   63.889  2574.73   73.220  2731.83  130.787  616.063   8.7704  633.806   15.227 -17.74249 17.57248 
1 1 1   -3   11   19 o  451.335   6.9889  1378.36   37.055  1374.28   42.781  1390.61   74.142  450.181   7.0126  452.489   12.091 -2.308533 13.97774 
1 1 1   -3   11   20 o  370.870   6.2400  925.934   27.238  918.650   31.439  947.857   54.542  368.088   6.3027  373.652   10.772 -5.563354 12.48002 
1 1 1   -3   11   21 o  510.915   8.1023  1781.85   53.247  1802.09   65.876  1743.72   90.437  515.311   9.4336  506.518   13.175 8.792938 16.20450 
1 1 1   -3   11   22 o  162.389   6.8852  178.833   15.152  178.833   15.152   0.0000   0.0000  162.389   6.8852  ?   ?       ?      ? 
1 1 1   -3   11   23 o  250.744   6.8840  426.396   23.391  426.396   23.391   0.0000   0.0000  250.744   6.8840  ?   ?       ?      ? 
1 1 1   -3   11   24 o  396.510   6.9381  1076.40   35.472  1097.61   44.099  1037.52   59.703  402.216   8.0907  390.804   11.273 11.41132 13.87628 
1 1 1   -3   11   25 o  321.782   6.3937  722.558   26.677  781.758   34.019  628.020   42.990  339.473   7.3950  304.091   10.432 35.38181 12.78744 
1 1 1   -3   11   26 f  281.732   5.5918  541.875   18.738  545.530   21.828  531.638   36.534  283.645   5.6787  279.818   9.6346 3.826294 11.18365 
1 1 1   -3   11   27 o  305.272   5.7653  636.745   20.907  641.472   24.342  623.450   40.820  307.564   5.8404  302.980   9.9420 4.584686 11.53058 
1 1 1   -3   11   28 o  259.293   6.7004  456.064   23.544   0.0000   0.0000  456.064   23.544  ?   ?   259.293   6.7004      ?      ? 
1 1 1   -3   11   29 o  237.882   4.6329  383.792   14.933  392.754   21.259  375.065   20.980  240.624   6.5197  235.140   6.5841 5.483780 9.265863 
1 1 1   -3   11   30 o  304.931   4.9686  630.901   20.531  632.570   29.015  629.226   29.056  305.336   7.0123  304.526   7.0409 0.8099976 9.937126 
1 1 1   -3   11   31 o  293.687   9.9326  586.127   39.530   0.0000   0.0000  586.127   39.530  ?   ?   293.687   9.9326      ?      ? 
1 1 1   -3   11   32 o  302.563   10.067  622.247   41.277   0.0000   0.0000  622.247   41.277  ?   ?   302.563   10.067      ?      ? 
1 1 1   -3   11   33 o  349.540   5.2745  829.344   24.983  837.945   35.423  820.830   35.241  351.345   7.4399  347.736   7.4786 3.609802 10.54903 
1 1 1   -3   11   34 o  251.120   6.6903  427.950   22.767   0.0000   0.0000  427.950   22.767  ?   ?   251.120   6.6903      ?      ? 
1 1 1   -3   11   35 o  205.456   6.4253  286.449   17.889   0.0000   0.0000  286.449   17.889  ?   ?   205.456   6.4253      ?      ? 
1 1 1   -3   11   36 o  131.249   4.8180  117.043   8.5609  112.705   12.216  121.230   12.001  128.851   6.9960  133.648   6.6263 -4.796844 9.635981 
1 1 1   -3   11   37 o  230.521   6.5933  360.691   20.597   0.0000   0.0000  360.691   20.597  ?   ?   230.521   6.5933      ?      ? 
1 1 1   -3   11   38 o  325.047   6.2598  716.601   26.092  713.145   32.044  723.401   44.947  324.059   7.2969  326.036   10.173 -1.976563 12.51952 
1 1 1   -3   11   39 o  264.040   5.8213  469.769   19.755  461.333   24.243  486.440   34.081  260.663   6.8632  267.417   9.4046 -6.754761 11.64261 
1 1 1   -3   11   40 o  312.686   5.0904  663.661   21.562  640.668   30.104  687.883   30.898  307.124   7.2332  318.247   7.1645 -11.12311 10.18084 
1 1 1   -3   11   41 o  309.664   5.0856  651.362   21.339  651.322   30.378  651.401   29.983  309.649   7.2395  309.678   7.1446 -0.2896118E-01 10.17130 
1 1 1   -3   11   42 o  244.318   6.6982  405.371   22.177   0.0000   0.0000  405.371   22.177  ?   ?   244.318   6.6982      ?      ? 
1 1 1   -3   11   43 o  304.533   6.2921  636.964   24.359  613.605   42.177  648.655   29.838  300.076   10.372  308.991   7.1260 -8.915131 12.58411 
1 1 1   -3   11   44 o  277.556   6.1192  522.089   21.469  529.885   38.084  518.458   25.993  278.865   10.078  276.248   6.9435 2.616058 12.23833 
1 1 1   -3   11   45 o  202.797   4.7413  279.567   13.019  266.859   18.438  292.201   18.384  198.186   6.8654  207.408   6.5410 -9.222717 9.482499 
1 1 1   -3   11   46 o  221.716   4.7966  334.361   14.396  320.052   20.509  348.259   20.212  217.018   6.9737  226.415   6.5876 -9.397217 9.593139 
1 1 1   -3   11   47 o  338.601   6.4797  775.131   27.896  797.782   49.098  764.333   33.899  341.925   10.596  335.276   7.4611 6.648865 12.95940 
1 1 1   -3   11   48 o  247.680   9.7476  418.256   32.717  418.256   32.717   0.0000   0.0000  247.680   9.7476  ?   ?       ?      ? 
1 1 1   -3   11   49 o  155.947   5.9301  163.236   11.956  158.035   14.724  173.302   20.483  152.456   7.1271  159.438   9.4800 -6.981888 11.86028 
1 1 1   -3   11   50 o  112.876   6.6368   88.275   9.6351   91.612   12.009   82.246   16.141  116.037   7.6374  109.714   10.856 6.323082 13.27357 
1 1 1   -3   11   51 o  101.683   5.6382   69.832   7.7379   78.407   11.527   62.799   10.440  107.323   7.9257   96.043   8.0212 11.27956 11.27637 
1 1 1   -3   11   52 f  160.096   4.8823  173.706   10.574  185.399   15.509  163.548   14.454  165.111   6.9313  155.080   6.8779 10.03043 9.764654 
1 1 1   -3   11   53 o  177.218   6.7131  213.566   16.122   0.0000   0.0000  213.566   16.122  ?   ?   177.218   6.7131      ?      ? 
1 1 1   -3   11   54 o  130.990   5.3437  116.581   9.4559  119.611   14.011  114.046   12.815  132.530   7.8011  129.450   7.3051 3.080048 10.68744 
1 1 1   -3   11   55 o  222.798   4.8529  337.917   14.642  329.781   20.929  345.717   20.491  220.150   7.0154  225.447   6.7071 -5.297226 9.705704 
1 1 1   -3   11   56 o  150.821   5.0800  155.563   10.334  143.415   14.943  166.698   14.306  145.110   7.5989  156.532   6.7442 -11.42227 10.16010 
1 1 1   -3   11   57 o  201.269   4.8795  276.055   13.292  265.579   19.033  286.027   18.570  197.509   7.1111  205.028   6.6836 -7.519501 9.759037 
1 1 1   -3   11   58 o  161.829   5.0165  177.543   10.977  192.494   16.155  164.721   14.961  168.130   7.0905  155.528   7.0984 12.60158 10.03309 
1 1 1   -3   11   59 o  281.819   5.1588  539.604   19.663  565.693   28.934  517.217   26.803  288.104   7.4111  275.533   7.1783 12.57129 10.31754 
1 1 1   -3   11   60 o  235.586   6.0642  366.220   18.000  414.448   32.904  345.625   21.502  245.955   9.8722  225.216   7.0453 20.73936 12.12833 
1 1 1   -3   11   61 o  184.891   5.9638  235.003   14.442  239.089   18.309  228.278   23.493  187.246   7.2157  182.537   9.4974 4.708694 11.92760 
1 1 1   -3   11   62 o  160.473   6.0382  177.939   12.710  183.591   16.216  168.936   20.465  164.021   7.2956  156.926   9.6236 7.094772 12.07634 
1 1 1   -3   11   63 o  167.258   5.0088  191.161   11.333  186.855   16.403  195.094   15.677  165.412   7.3178  169.103   6.8412 -3.690765 10.01760 
1 1 1   -3   11   64 o  138.348   5.2128  131.243   9.7398  123.735   14.091  138.113   13.478  134.486   7.7316  142.209   6.9939 -7.722870 10.42557 
1 1 1   -3   11   65 o  138.273   6.4821  132.354   11.468  134.211   14.129  128.769   19.632  140.051   7.4448  136.496   10.613 3.555008 12.96412 
1 1 1   -3   11   66 o  165.008   5.0662  186.174   11.322  191.162   16.352  181.582   15.692  167.116   7.2206  162.900   7.1084 4.215988 10.13242 
1 1 1   -3   11   67 o  276.665   10.419  530.799   39.063  530.799   39.063   0.0000   0.0000  276.665   10.419  ?   ?       ?      ? 
1 1 1   -3   11   68 o  122.445   6.8899  106.285   10.392   97.851   18.754  110.023   12.484  118.258   11.703  126.631   7.2752 -8.373718 13.77989 
1 1 1   -3   11   69 o  110.570   8.1869   84.300   12.267   84.300   12.267   0.0000   0.0000  110.570   8.1869  ?   ?       ?      ? 
1 1 1   -3   11   70 o   67.402   7.9004   33.806   6.7181   21.765   9.7056   44.881   9.3084   54.266   13.301   80.538   8.5289 -26.27215 15.80079 
1 1 1   -3   11   71 o   75.018   9.9707   43.852   9.5875   26.769   14.297   57.813   12.924   59.262   16.949   90.773   10.507 -31.51112 19.94141 
1 1 1   -3   11   72 o   37.720   9.4766   9.1862   6.0643   9.6653   9.0048   8.7885   8.2036   38.556   13.709   36.885   13.088 1.670765 18.95322 
1 1 1   -3   11   73 o  121.875   6.7022  103.589   10.350  105.854   18.244  102.514   12.568  122.123   11.024  121.628   7.6253 0.4946136 13.40439 
1 1 1   -3   11   74 o  133.205   6.5953  125.689   11.096  121.843   19.400  127.558   13.527  130.773   10.947  135.638   7.3592 -4.865082 13.19070 
1 1 1   -3   11   75 o   81.845   8.4543   49.566   8.4320   47.095   14.756   50.763   10.275   78.716   14.363   84.974   8.9227 -6.258842 16.90862 
1 1 1   -3   11   76 o  109.525   6.9228   85.823   9.6811   83.575   16.577   86.987   11.926  107.524   11.376  111.525   7.8914 -4.001587 13.84554 
1 1 1   -3   11   77 o   59.692   9.8016   28.366   7.7456   22.692   12.958   31.520   9.6616   53.302   16.367   66.082   10.789 -12.77984 19.60324 
1 1 1   -3   11   78 o   68.619   14.635   37.007   13.194   37.007   13.194   0.0000   0.0000   68.619   14.635  ?   ?       ?      ? 
1 1 1   -3   11   79 f  123.360   8.2249  110.244   13.636   96.369   17.985  129.003   20.912  114.408   11.600  132.312   11.663 -17.90444 16.44973 
1 1 1   -3   11   80 o   65.081   11.700   35.186   10.287   35.272   13.665   35.073   15.628   65.854   15.560   64.308   17.477 1.546303 23.39972 
1 1 1   -3   11   81 o   41.826   11.506   9.5791   9.3726   3.2554   11.865   20.072   15.284   34.069   14.543   49.584   17.836 -15.51523 23.01287 
1 1 1   -3   11   82 o   70.945   11.378   40.381   10.516   34.005   13.416   50.541   16.936   64.130   15.589   77.760   16.579 -13.63000 22.75678 
1 1 1   -3   11   83 o   45.625   17.719   15.849   15.695   0.0000   0.0000   15.849   15.695  ?   ?    45.625   17.719      ?      ? 
1 1 1   -3   11   84 o   27.926   13.328 -12.9890   14.081   0.0000   0.0000 -12.9890   14.081  ?   ?    27.926   13.328      ?      ? 
1 1 1   -3   11   85 o   95.338   8.9415   69.119   11.441   60.725   14.979   80.873   17.724   88.691   12.463  101.986   12.825 -13.29485 17.88299 
1 1 1   -3   11   86 o   61.054   11.074   29.240   10.116   12.442   12.950   55.532   16.201   40.879   16.034   81.228   15.279 -40.34947 22.14817 
1 1 1   -3   11   87 o   56.566   10.709   23.060   9.8439   4.4595   12.492   53.531   15.989   34.235   14.772   78.897   15.508 -44.66266 21.41747 
1 1 1   -3   11   88 o   33.079   10.250   2.8775   8.7549  -0.0855   11.727   6.6083   13.159   30.378   13.651   35.779   15.295 -5.400675 20.50062 
1 1 1   -3   11   89 o   49.205   11.554   22.722   9.7687   32.713   13.595   12.056   14.046   58.926   16.415   39.484   16.264 19.44152 23.10820 
1 1 1   -3   11   90 o   39.379   10.916   10.049   9.3965  -2.2188   12.808   24.350   13.828   29.604   13.666   49.155   17.026 -19.55049 21.83218 
1 1 1   -3   11   91 o   43.690   11.586   17.756   9.8062   8.3566   13.341   28.804   14.463   35.421   15.275   51.959   17.425 -16.53784 23.17236 
1 1 1   -3   11   92 o   36.610   15.517   11.225   13.343   11.225   13.343   0.0000   0.0000   36.610   15.517  ?   ?       ?      ? 
1 1 1   -3   12    1 o  223.737   4.6504  339.882   14.077  359.989   19.833  319.467   19.984  230.420   6.3517  217.054   6.7942 13.36636 9.300770 
1 1 1   -3   12    2 o  231.275   4.6593  362.842   14.589  366.764   20.272  358.627   21.013  232.577   6.4321  229.974   6.7426 2.602341 9.318504 
1 1 1   -3   12    3 o  351.417   5.3110  837.149   25.281  824.543   35.150  850.661   36.389  348.680   7.4390  354.153   7.5822 -5.472900 10.62210 
1 1 1   -3   12    4 o  315.206   5.0937  673.633   21.748  668.765   30.270  678.828   31.268  314.032   7.1129  316.379   7.2930 -2.346893 10.18736 
1 1 1   -3   12    5 o  510.949   6.6024  1771.21   45.707  1754.93   63.909  1788.25   65.394  508.552   9.2735  513.346   9.4004 -4.794739 13.20475 
1 1 1   -3   12    6 o  438.080   5.9842  1301.61   35.515  1288.33   49.539  1315.65   50.943  435.787   8.3886  440.373   8.5365 -4.586060 11.96833 
1 1 1   -3   12    7 o  213.040   4.6275  307.297   13.346  298.166   18.376  317.490   19.415  209.698   6.4666  216.383   6.6211 -6.684814 9.255023 
1 1 1   -3   12    8 f  207.075   4.6090  290.037   12.915  277.834   17.686  303.977   18.902  202.422   6.4475  211.728   6.5881 -9.306061 9.218041 
1 1 1   -3   12    9 o  377.660   5.5078  967.252   28.181  959.255   39.352  975.670   40.376  376.061   7.7219  379.258   7.8561 -3.196991 11.01569 
1 1 1   -3   12   10 o  450.585   6.1062  1376.89   37.272  1426.86   53.294  1329.04   52.147  458.589   8.5757  442.581   8.6947 16.00739 12.21234 
1 1 1   -3   12   11 o  211.607   4.6826  303.244   13.413  295.556   18.460  311.843   19.523  208.772   6.5249  214.442   6.7181 -5.669876 9.365187 
1 1 1   -3   12   12 o  196.945   5.4860  258.579   13.838  249.745   16.857  276.828   24.230  191.911   6.4820  201.979   8.8526 -10.06808 10.97200 
1 1 1   -3   12   13 o  333.930   5.9558  751.863   23.351  747.168   26.931  766.086   46.876  331.957   5.9867  335.903   10.298 -3.946564 11.91165 
1 1 1   -3   12   14 o  282.348   5.6437  549.401   18.847  558.702   21.947  523.275   36.782  287.062   5.6417  277.635   9.7763 9.426941 11.28737 
1 1 1   -3   12   15 o  319.208   5.8604  693.231   22.064  695.157   25.563  687.606   43.696  320.191   5.8914  318.225   10.133 1.966614 11.72082 
1 1 1   -3   12   16 o  398.816   6.5106  1073.39   30.473  1067.18   35.141  1092.19   61.188  396.685   6.5370  400.947   11.261 -4.261993 13.02121 
1 1 1   -3   12   17 o  235.975   5.8094  383.387   17.764  397.923   22.326  358.306   29.325  242.216   6.8018  229.735   9.4197 12.48067 11.61872 
1 1 1   -3   12   18 o  155.286   5.8199  164.803   11.757  167.921   14.770  159.410   19.424  157.340   6.9273  153.232   9.3540 4.108215 11.63978 
1 1 1   -3   12   19 o  353.952   6.5388  844.156   29.713  830.858   36.438  870.549   51.334  349.933   7.6839  357.971   10.582 -8.037689 13.07760 
1 1 1   -3   12   20 o  239.754   5.7326  381.225   17.712  362.811   21.659  418.402   30.775  231.265   6.9109  248.242   9.1483 -16.97717 11.46529 
1 1 1   -3   12   21 o  280.073   6.0478  538.860   21.870  554.438   27.300  510.955   36.538  285.875   7.0471  274.271   9.8308 11.60318 12.09569 
1 1 1   -3   12   22 o  231.468   5.3445  361.008   14.658  358.319   16.980  368.872   29.039  229.872   5.4510  233.063   9.1945 -3.190811 10.68891 
1 1 1   -3   12   23 o  275.559   5.6102  517.976   18.278  520.715   21.216  510.092   35.998  277.097   5.6500  274.021   9.6941 3.075928 11.22039 
1 1 1   -3   12   24 f  240.857   5.5197  405.347   15.738  418.463   18.414  369.794   30.316  248.407   5.4701  233.307   9.5888 15.10049 11.03931 
1 1 1   -3   12   25 o  233.435   5.3494  369.469   14.837  369.050   17.239  370.664   29.137  233.277   5.4532  233.593   9.2046 -0.3162384 10.69872 
1 1 1   -3   12   26 f  126.421   5.5024  104.792   8.4979  100.267   9.9425  117.060   16.370  121.578   6.0347  131.265   9.2027 -9.687332 11.00488 
1 1 1   -3   12   27 o  230.504   6.8554  360.560   21.414  360.560   21.414   0.0000   0.0000  230.504   6.8554  ?   ?       ?      ? 
1 1 1   -3   12   28 o  218.408   6.8454  323.734   20.260  323.734   20.260   0.0000   0.0000  218.408   6.8454  ?   ?       ?      ? 
1 1 1   -3   12   29 o  167.289   5.2864  190.617   10.624  191.340   12.436  188.663   20.438  167.956   5.4638  166.622   9.0516 1.333908 10.57281 
1 1 1   -3   12   30 o  189.929   5.2787  247.189   12.097  249.966   14.225  239.932   22.994  191.965   5.4684  187.892   9.0307 4.072998 10.55734 
1 1 1   -3   12   31 o  198.313   5.5287  262.010   14.109  251.525   17.254  283.170   24.511  192.507   6.6139  204.120   8.8612 -11.61342 11.05733 
1 1 1   -3   12   32 o  356.581   10.691  865.507   51.663   0.0000   0.0000  865.507   51.663  ?   ?   356.581   10.691      ?      ? 
1 1 1   -3   12   33 o  406.760   7.0237  1125.71   36.527  1125.70   44.777  1125.72   63.150  407.037   8.1179  406.482   11.464 0.5549316 14.04739 
1 1 1   -3   12   34 o  285.948   6.0645  565.615   22.300  588.984   27.814  523.558   37.314  294.519   6.9690  277.377   9.9270 17.14233 12.12895 
1 1 1   -3   12   35 o  257.374   5.8847  456.232   19.461  469.961   24.172  430.940   32.809  263.087   6.7800  251.661   9.6204 11.42572 11.76948 
1 1 1   -3   12   36 o  417.883   8.2866  1187.07   46.926  1187.07   46.926   0.0000   0.0000  417.883   8.2866  ?   ?       ?      ? 
1 1 1   -3   12   38 o  103.598   5.3640   72.727   7.5192   78.121   10.958   67.928   10.337  107.219   7.5419   99.976   7.6295 7.242828 10.72799 
1 1 1   -3   12   39 o  204.130   6.7572  283.029   18.692  283.029   18.692   0.0000   0.0000  204.130   6.7572  ?   ?       ?      ? 
1 1 1   -3   12   40 o  289.750   6.1713  568.481   22.619  579.048   40.106  563.552   27.391  291.498   10.153  288.001   7.0183 3.496582 12.34254 
1 1 1   -3   12   41 o  252.531   6.7573  433.245   23.125   0.0000   0.0000  433.245   23.125  ?   ?   252.531   6.7573      ?      ? 
1 1 1   -3   12   42 f   41.431   8.7671   11.558   5.7318   4.6398   8.4504   17.454   7.8005   33.298   12.982   49.563   11.786 -16.26572 17.53425 
1 1 1   -3   12   43 o   82.147   6.1814   46.176   6.8406   43.190   10.026   48.778   9.3571   79.624   9.2915   84.670   8.1551 -5.046722 12.36274 
1 1 1   -3   12   44 o  112.845   6.5838   92.355   9.2247   71.263   15.575  103.753   11.449  102.134   11.253  123.555   6.8378 -21.42151 13.16754 
1 1 1   -3   12   45 o  118.304   6.3440   98.546   9.4323   86.380   16.242  104.738   11.586  112.478   10.656  124.131   6.8879 -11.65283 12.68798 
1 1 1   -3   12   46 o  101.776   6.7743   69.370   8.9806   66.256   11.135   75.167   15.191   98.646   8.3293  104.906   10.686 -6.259857 13.54862 
1 1 1   -3   12   47 o   98.788   6.8401   63.893   8.8029   57.566   10.824   76.254   15.128   91.921   8.6894  105.656   10.566 -13.73478 13.68023 
1 1 1   -3   12   48 o  102.867   5.6995   73.555   7.7778   59.777   11.427   85.450   10.617   93.641   9.0048  112.093   6.9893 -18.45276 11.39903 
1 1 1   -3   12   49 o   90.670   6.0385   56.229   7.3682   54.066   10.965   58.009   9.9490   89.041   9.0875   92.300   7.9542 -3.258728 12.07693 
1 1 1   -3   12   50 o  158.328   5.0013  170.577   10.706  169.962   15.661  171.116   14.670  158.038   7.3125  158.618   6.8249 -0.5796204 10.00260 
1 1 1   -3   12   51 o  113.150   5.6411   86.708   8.6077   92.142   12.960   82.418   11.514  116.286   8.2243  110.015   7.7231 6.270409 11.28213 
1 1 1   -3   12   52 f  178.258   4.9074  216.186   11.835  216.485   17.248  215.921   16.268  178.353   7.1364  178.163   6.7381 0.1900482 9.814819 
1 1 1   -3   12   53 o  179.316   4.9032  218.331   11.896  226.995   17.434  210.783   16.272  182.624   7.0445  176.007   6.8222 6.617508 9.806481 
1 1 1   -3   12   54 o  118.301   5.4645   95.569   8.7260   92.765   12.812   97.995   11.918  116.645   8.1050  119.956   7.3314 -3.310532 10.92892 
1 1 1   -3   12   55 o   88.375   6.4354   53.307   7.6771   53.927   11.398   52.791   10.386   88.816   9.4705   87.935   8.7159 0.8809586 12.87077 
1 1 1   -3   12   56 o  105.414   5.9070   76.280   8.3682   71.961   12.452   79.837   11.300  102.620   8.9545  108.209   7.7062 -5.589005 11.81394 
1 1 1   -3   12   57 o  128.732   6.5410  107.977   10.533  127.476   19.673  100.143   12.471  136.288   10.652  121.176   7.5943 15.11227 13.08190 
1 1 1   -3   12   58 o  184.289   5.0228  232.075   12.513  220.713   18.038  242.615   17.373  179.883   7.3996  188.695   6.7941 -8.812744 10.04559 
1 1 1   -3   12   59 o  105.115   7.0246   76.996   9.7555   81.887   12.721   70.014   15.200  109.401   8.5808  100.829   11.124 8.572632 14.04913 
1 1 1   -3   12   60 o  172.732   5.9879  204.171   13.602  203.898   17.267  204.618   22.080  172.794   7.3742  172.670   9.4361 0.1241760 11.97577 
1 1 1   -3   12   61 o  151.495   5.1015  157.343   10.435  145.823   15.003  168.137   14.523  146.041   7.5811  156.950   6.8285 -10.90944 10.20303 
1 1 1   -3   12   62 o   67.383   9.9006   35.276   8.5299   42.351   10.698   22.928   14.133   78.376   10.073   56.390   17.048 21.98600 19.80117 
1 1 1   -3   12   63 o   91.062   7.6661   54.102   9.1452   44.930   11.301   71.506   15.567   80.618   10.344  101.505   11.317 -20.88689 15.33214 
1 1 1   -3   12   64 o  115.402   5.6384   91.186   8.7819   94.048   13.101   88.850   11.834  116.986   8.2639  113.818   7.6728 3.168686 11.27673 
1 1 1   -3   12   65 o   99.700   6.1539   67.176   8.1885   86.159   12.490   52.868   10.844  111.901   8.2369   87.500   9.1453 24.40065 12.30784 
1 1 1   -3   12   66 o   71.194   9.8043   41.104   8.3482   26.119   14.963   47.876   10.059   59.157   17.463   83.230   8.9188 -24.07389 19.60865 
1 1 1   -3   12   67 o  130.553   7.5910  120.518   13.251  101.480   19.109  138.154   18.393  120.111   11.740  140.995   9.6262 -20.88447 15.18192 
1 1 1   -3   12   68 o   88.676   6.3817   55.138   7.5875   47.986   11.006   61.616   10.475   82.951   9.7906   94.400   8.1882 -11.44917 12.76333 
1 1 1   -3   12   69 o  136.170   5.1766  127.902   9.5473  127.730   13.721  128.064   13.293  136.041   7.4425  136.299   7.1971 -0.2587128 10.35324 
1 1 1   -3   12   70 o   93.483   6.0938   61.035   7.6917   57.335   11.120   64.429   10.650   90.628   9.0546   96.338   8.1581 -5.710037 12.18767 
1 1 1   -3   12   71 o   91.899   7.8369   61.824   8.8642   55.419   15.818   64.756   10.702   87.337   13.365   96.461   8.1874 -9.123772 15.67372 
1 1 1   -3   12   72 o   52.724   9.3432   23.034   7.3875   7.5133   12.646   31.075   9.1021   39.220   15.695   66.229   10.142 -27.00949 18.68649 
1 1 1   -3   12   73 o   58.737   10.139   26.311   7.6674   27.199   13.334   25.872   9.3717   58.671   16.226   58.802   12.162 -0.1307793 20.27804 
1 1 1   -3   12   74 o  129.538   6.5672  117.782   10.866  122.226   18.915  115.593   13.275  130.419   10.702  128.658   7.6139 1.760910 13.13436 
1 1 1   -3   12   75 o   31.762   9.2882   2.9815   6.7821  -5.3585   11.590   7.3239   8.3634   28.863   13.205   34.661   13.065 -5.797918 18.57632 
1 1 1   -3   12   76 o   42.736   11.217   10.650   8.9290   3.4503   11.634   20.968   13.928   34.360   14.523   51.112   17.100 -16.75205 22.43459 
1 1 1   -3   12   77 o   44.452   15.849   14.851   12.044   14.851   12.044   0.0000   0.0000   44.452   15.849  ?   ?       ?      ? 
1 1 1   -3   12   78 o   68.140   11.227   35.976   10.235   24.651   13.125   53.544   16.348   54.529   16.416   81.750   15.320 -27.22096 22.45402 
1 1 1   -3   12   79 o   95.189   9.1417   66.740   11.596   53.522   15.073   85.913   18.153   83.693   13.290  106.686   12.556 -22.99296 18.28344 
1 1 1   -3   12   80 o   77.203   10.924   48.333   10.847   47.000   14.007   50.331   17.144   77.081   13.922   77.324   16.838 -0.2431030 21.84782 
1 1 1   -3   12   81 o   36.154   10.827   4.9332   8.7867   3.3703   10.876   7.8701   14.909   32.863   13.973   39.445   16.543 -6.581886 21.65460 
1 1 1   -3   12   82 o   38.354   16.100   7.3922   14.140   0.0000   0.0000   7.3922   14.140  ?   ?    38.354   16.100      ?      ? 
1 1 1   -3   12   83 o   32.412   14.612  -1.1817   13.564   0.0000   0.0000  -1.1817   13.564  ?   ?    32.412   14.612      ?      ? 
1 1 1   -3   12   84 o   76.723   10.937   49.672   10.862   48.297   14.260   51.574   16.765   76.606   14.261   76.840   16.586 -0.2343445 21.87442 
1 1 1   -3   12   85 o   39.348   11.212   10.109   9.1356   5.8425   11.882   16.276   14.286   34.724   14.677   43.972   16.953 -9.248428 22.42332 
1 1 1   -3   12   86 o   36.074   10.757   7.2455   8.9312   5.5437   11.896   9.4443   13.521   34.179   14.575   37.969   15.826 -3.790215 21.51461 
1 1 1   -3   12   87 o   35.178   10.352   6.1630   8.8325   14.176   11.756  -4.2242   13.384   40.747   15.459   29.608   13.772 11.13992 20.70373 
1 1 1   -3   12   88 o   30.537   9.6987   0.3756   8.5730   5.4866   11.680  -5.5946   12.623   33.171   14.299   27.903   13.107 5.267181 19.39734 
1 1 1   -3   12   89 o   45.603   12.021   21.197   9.9836   17.258   13.526   25.912   14.798   42.094   16.421   49.112   17.562 -7.018440 24.04272 
1 1 1   -3   12   90 o   35.181   10.508   4.7861   9.4300  -8.5127   12.696   21.149   14.083   26.091   12.507   44.272   16.890 -18.18038 21.01689 
1 1 1   -3   13    1 o  195.816   5.6212  263.337   14.410  247.641   23.269  273.101   18.353  190.984   8.9906  200.649   6.7497 -9.665817 11.24233 
1 1 1   -3   13    2 o  197.184   5.6155  266.397   14.497  253.741   23.491  274.181   18.424  193.323   8.9669  201.046   6.7625 -7.722839 11.23103 
1 1 1   -3   13    3 o  280.582   5.9691  541.849   21.784  506.721   35.664  562.755   27.512  273.151   9.6348  288.013   7.0491 -14.86227 11.93811 
1 1 1   -3   13    4 o  298.825   6.0331  602.400   23.338  618.768   39.579  593.675   28.897  301.839   9.6762  295.811   7.2087 6.028564 12.06622 
1 1 1   -3   13    5 o  212.116   4.7517  303.431   13.618  276.553   18.492  335.277   20.129  201.912   6.7584  222.321   6.6813 -20.40900 9.503422 
1 1 1   -3   13    6 o  211.508   4.7026  303.156   13.465  297.221   18.555  309.758   19.570  209.327   6.5411  213.689   6.7582 -4.361313 9.405296 
1 1 1   -3   13    7 o  253.930   4.8168  437.658   16.564  445.419   23.135  429.496   23.726  256.247   6.6623  251.612   6.9584 4.634949 9.633542 
1 1 1   -3   13    8 o  253.479   4.8062  435.823   16.498  434.490   22.888  437.263   23.802  253.082   6.6735  253.877   6.9183 -0.7953491 9.612410 
1 1 1   -3   13    9 o  308.991   5.1002  645.943   21.322  615.100   29.165  681.355   31.250  301.094   7.1478  316.888   7.2772 -15.79349 10.20043 
1 1 1   -3   13   10 o  328.228   5.2194  730.412   23.199  715.477   32.086  746.771   33.581  324.721   7.2917  331.735   7.4699 -7.013763 10.43879 
1 1 1   -3   13   11 o  223.676   4.7419  339.359   14.359  338.224   19.851  340.605   20.795  223.290   6.5603  224.063   6.8487 -0.7727051 9.483758 
1 1 1   -3   13   12 o  230.146   5.6799  354.472   16.617  345.318   20.131  374.048   29.438  225.616   6.5845  234.676   9.2568 -9.059372 11.35976 
1 1 1   -3   13   13 o  146.590   5.8242  145.661   11.050  145.140   13.715  146.626   18.657  146.258   6.9196  146.921   9.3705 -0.6629639 11.64850 
1 1 1   -3   13   14 o  321.296   6.3809  714.744   26.416  748.534   33.076  655.227   43.897  332.114   7.3492  310.477   10.433 21.63660 12.76184 
1 1 1   -3   13   15 o  351.933   6.1999  842.255   25.569  843.362   29.517  838.927   51.178  352.600   6.1775  351.266   10.751 1.334656 12.39977 
1 1 1   -3   13   16 o  228.386   5.5457  366.990   14.908  381.321   17.424  327.837   28.800  237.123   5.4223  219.649   9.6756 17.47395 11.09131 
1 1 1   -3   13   17 o  302.169   5.8372  624.068   20.724  628.242   23.989  611.784   41.151  304.338   5.8165  300.001   10.122 4.336945 11.67446 
1 1 1   -3   13   18 o  376.314   6.8155  967.730   32.972  979.559   40.778  945.391   56.038  379.837   7.9221  372.791   11.093 7.046692 13.63106 
1 1 1   -3   13   19 o  369.153   6.3243  922.742   27.376  919.698   31.578  931.951   54.929  368.177   6.3291  370.129   10.951 -1.952515 12.64859 
1 1 1   -3   13   20 o  217.772   5.3364  317.142   13.720  312.276   15.834  331.805   27.487  214.572   5.4455  220.972   9.1792 -6.400513 10.67288 
1 1 1   -3   13   21 o  207.530   5.3329  290.904   13.090  289.340   15.158  295.493   25.964  206.539   5.4156  208.521   9.1885 -1.981628 10.66572 
1 1 1   -3   13   22 o  300.705   7.3801  613.899   30.074  613.899   30.074   0.0000   0.0000  300.705   7.3801  ?   ?       ?      ? 
1 1 1   -3   13   23 o  191.292   6.4015  248.324   16.594  248.324   16.594   0.0000   0.0000  191.292   6.4015  ?   ?       ?      ? 
1 1 1   -3   13   24 o  142.876   5.7869  136.519   10.536  132.531   12.784  144.963   18.602  139.733   6.7513  146.019   9.4008 -6.285828 11.57389 
1 1 1   -3   13   25 o  208.750   5.6021  293.880   14.904  289.846   18.150  302.229   26.114  206.654   6.4813  210.847   9.1394 -4.193161 11.20425 
1 1 1   -3   13   26 o  219.518   5.7109  330.026   15.976  335.327   19.601  319.537   27.573  222.269   6.5077  216.768   9.3867 5.500626 11.42190 
1 1 1   -3   13   27 o  132.425   6.1140  126.249   10.124  141.383   12.616   98.880   16.967  144.324   6.4508  120.526   10.388 23.79728 12.22795 
1 1 1   -3   13   28 o  195.813   5.5935  260.228   13.962  259.670   17.056  261.361   24.311  195.587   6.4351  196.040   9.1510 -0.4532318 11.18707 
1 1 1   -3   13   29 o  165.376   5.2931  184.328   10.571  182.601   12.373  188.996   20.343  164.048   5.5655  166.706   9.0051 -2.658020 10.58615 
1 1 1   -3   13   30 o  173.995   5.2353  201.288   11.011  196.209   12.848  215.341   21.371  170.046   5.5755  177.945   8.8626 -7.899216 10.47055 
1 1 1   -3   13   31 o  187.298   5.8224  244.317   14.204  262.919   18.184  215.209   22.747  196.763   6.8198  177.833   9.4389 18.92969 11.64485 
1 1 1   -3   13   32 o  111.495   6.6285   85.038   9.7797   86.710   12.613   82.519   15.487  112.932   8.2415  110.058   10.384 2.873177 13.25707 
1 1 1   -3   13   33 o  310.234   7.4589  654.016   31.358  654.016   31.358   0.0000   0.0000  310.234   7.4589  ?   ?       ?      ? 
1 1 1   -3   13   34 o  193.046   5.8113  267.211   13.076  282.342   15.290  226.020   25.228  203.964   5.5320  182.127   10.222 21.83655 11.62260 
1 1 1   -3   13   35 o  131.829   5.9793  118.578   10.197  119.432   12.685  117.019   17.144  132.581   7.0604  131.076   9.6520 1.504517 11.95867 
1 1 1   -3   13   36 o  204.210   5.8483  275.776   14.939  304.139   27.539  263.950   17.782  211.301   9.6176  197.119   6.6569 14.18181 11.69667 
1 1 1   -3   13   37 o  190.109   5.8319  239.914   13.895  261.506   25.460  230.754   16.583  195.917   9.5895  184.300   6.6398 11.61696 11.66382 
1 1 1   -3   13   38 o  161.825   4.7377  178.235   10.370  167.128   14.757  189.069   14.575  156.820   6.9441  166.830   6.4468 -10.01079 9.475310 
1 1 1   -3   13   39 o  218.319   5.7155  321.394   15.923  332.916   27.872  315.812   19.400  221.049   9.3046  215.588   6.6404 5.460831 11.43109 
1 1 1   -3   13   40 o  355.766   6.5563  832.409   29.439  944.758   53.683  784.094   35.204  372.012   10.649  339.521   7.6515 32.49109 13.11267 
1 1 1   -3   13   41 o  239.377   5.9271  398.447   18.142  363.931   30.588  417.179   22.534  231.002   9.7712  247.751   6.7117 -16.74850 11.85427 
1 1 1   -3   13   42 o   64.175   7.6024   29.121   6.3290   24.863   9.4490   32.586   8.5234   59.204   12.184   69.146   9.0963 -9.941898 15.20473 
1 1 1   -3   13   43 o  133.873   6.2578  125.758   10.704  134.307   13.372  110.509   17.860  140.536   7.0216  127.210   10.360 13.32649 12.51560 
1 1 1   -3   13   44 f  103.801   5.5780   73.358   7.8391   73.160   11.323   73.540   10.864  103.656   8.0609  103.947   7.7123 -0.2905655 11.15606 
1 1 1   -3   13   45 o  166.689   4.8605  189.248   10.961  182.265   15.771  195.772   15.244  163.689   7.1100  169.689   6.6291 -6.000229 9.720931 
1 1 1   -3   13   46 o  270.540   5.0086  497.861   18.356  500.493   26.343  495.376   25.592  271.222   7.1673  269.858   6.9982 1.364105 10.01725 
1 1 1   -3   13   47 o  182.274   4.9114  225.101   12.103  239.725   17.874  212.716   16.448  187.711   7.0266  176.837   6.8639 10.87372 9.822752 
1 1 1   -3   13   48 o  129.784   5.2462  114.068   9.1964  122.017   13.701  107.550   12.406  133.866   7.5527  125.701   7.2832 8.165131 10.49234 
1 1 1   -3   13   49 o  153.389   5.0393  160.469   10.449  154.332   15.135  166.056   14.443  150.553   7.4186  156.225   6.8223 -5.672607 10.07866 
1 1 1   -3   13   50 o  184.944   6.8099  232.757   17.067   0.0000   0.0000  232.757   17.067  ?   ?   184.944   6.8099      ?      ? 
1 1 1   -3   13   51 o  141.867   5.2003  137.068   9.9802  137.429   14.558  136.748   13.708  142.022   7.5642  141.713   7.1384 0.3091125 10.40064 
1 1 1   -3   13   52 o  164.601   5.0341  183.996   11.206  192.762   16.498  176.487   15.270  168.216   7.2373  160.986   6.9993 7.230011 10.06816 
1 1 1   -3   13   53 o  188.725   5.0339  243.902   12.807  223.847   18.536  262.224   17.716  181.198   7.5487  196.251   6.6616 -15.05281 10.06773 
1 1 1   -3   13   54 o  155.281   10.691  165.549   22.497  165.549   22.497   0.0000   0.0000  155.281   10.691  ?   ?       ?      ? 
1 1 1   -3   13   55 o  135.401   5.4125  125.393   9.8848  122.189   14.597  128.106   13.433  133.748   8.0538  137.054   7.2329 -3.306488 10.82492 
1 1 1   -3   13   56 o  156.094   6.1501  168.814   12.543  175.018   15.936  158.715   20.332  160.135   7.3437  152.053   9.8675 8.082748 12.30029 
1 1 1   -3   13   57 o  107.076   6.8474   76.042   9.7441   65.269   12.389   93.519   15.779   97.520   9.3744  116.632   9.9832 -19.11224 13.69471 
1 1 1   -3   13   58 o   41.370   9.6439   10.540   6.4181   16.511   9.8192   6.0870   8.4805   48.131   14.129   34.609   13.130 13.52109 19.28776 
1 1 1   -3   13   59 o   60.451   8.8983   26.094   7.0397   30.085   10.457   22.787   9.5200   64.773   12.364   56.129   12.800 8.644169 17.79652 
1 1 1   -3   13   60 o  152.846   6.2841  158.590   12.527  153.262   15.598  168.269   21.023  149.559   7.6964  156.133   9.9360 -6.573288 12.56812 
1 1 1   -3   13   61 o  147.080   5.2140  148.371   10.355  146.444   15.244  150.021   14.110  146.118   7.6988  148.041   7.0335 -1.922577 10.42793 
1 1 1   -3   13   62 o   46.169   10.329   13.727   7.5973   6.7770   10.165   22.521   11.435   37.023   14.293   55.315   14.914 -18.29134 20.65727 
1 1 1   -3   13   63 o   64.165   10.653   31.892   9.5250   18.445   14.824   41.347   12.431   51.564   17.639   76.766   11.949 -25.20210 21.30547 
1 1 1   -3   13   64 o   72.158   9.6895   40.236   8.1549   32.190   15.388   43.378   9.6164   65.166   17.180   79.150   8.9656 -13.98394 19.37906 
1 1 1   -3   13   65 o   58.791   8.7211   24.969   6.6631   27.748   10.314   22.978   8.7292   61.483   12.795   56.099   11.854 5.383915 17.44224 
1 1 1   -3   13   66 o   68.229   7.3727   32.759   6.7590   31.869   10.154   33.468   9.0572   67.227   11.146   69.231   9.6541 -2.004402 14.74535 
1 1 1   -3   13   67 o  100.120   5.9207   70.393   7.9373   62.222   11.676   77.413   10.823   94.428   9.1242  105.812   7.5478 -11.38419 11.84149 
1 1 1   -3   13   68 o   95.976   7.4697   66.028   8.8601   62.810   15.994   67.453   10.642   93.397   12.637   98.554   7.9684 -5.157608 14.93950 
1 1 1   -3   13   69 o   35.881   9.8300   4.4257   6.5184   13.569   11.896   0.5026   7.7924   44.279   15.755   27.484   11.760 16.79540 19.66005 
1 1 1   -3   13   70 o   66.887   9.2605   34.469   7.6029   29.911   13.413   36.627   9.2289   61.743   15.926   72.032   9.4545 -10.28925 18.52092 
1 1 1   -3   13   71 o   67.504   8.7862   29.723   7.4896   49.908   13.478   20.705   9.0086   82.837   12.006   52.172   12.831 30.66471 17.57240 
1 1 1   -3   13   72 o   55.978   9.8098   25.798   7.4870   16.774   13.291   29.993   9.0616   47.303   16.672   64.653   10.343 -17.35022 19.61964 
1 1 1   -3   13   73 o   63.318   11.466   32.449   9.8826   31.302   13.825   33.648   14.132   62.144   16.238   64.492   16.193 -2.348351 22.93216 
1 1 1   -3   13   74 o   88.930   9.5583   59.595   11.054   46.622   14.926   75.355   16.451   76.901   14.861  100.959   12.025 -24.05786 19.11653 
1 1 1   -3   13   75 o   40.456   15.443   10.920   11.778   10.920   11.778   0.0000   0.0000   40.456   15.443  ?   ?       ?      ? 
1 1 1   -3   13   76 o   40.732   15.381   11.499   11.604   11.499   11.604   0.0000   0.0000   40.732   15.381  ?   ?       ?      ? 
1 1 1   -3   13   77 o   35.395   10.481   1.0803   8.7062  -7.1182   11.136   13.971   13.963   26.933   12.539   43.857   16.797 -16.92415 20.96169 
1 1 1   -3   13   78 o   55.181   11.883   26.047   9.6360   26.596   12.550   25.258   15.041   56.368   15.796   53.995   17.758 2.373581 23.76682 
1 1 1   -3   13   79 o   33.830   10.301   3.0837   8.5411   5.2293   11.009  -0.1603   13.537   34.385   14.302   33.275   14.829 1.110420 20.60222 
1 1 1   -3   13   80 o   28.657   9.3458  -4.9460   8.1392  -6.0096   10.287  -3.1655   13.310   26.057   12.105   31.257   14.242 -5.200426 18.69169 
1 1 1   -3   13   81 o   69.872   16.631   42.540   15.520   0.0000   0.0000   42.540   15.520  ?   ?    69.872   16.631      ?      ? 
1 1 1   -3   13   82 o   39.690   10.932   7.5692   8.9656  -2.0960   11.504   22.522   14.309   29.436   13.346   49.943   17.318 -20.50693 21.86388 
1 1 1   -3   13   83 o   43.486   11.543   16.047   9.2375   17.496   12.106   14.027   14.292   44.896   15.902   42.076   16.735 2.820396 23.08578 
1 1 1   -3   13   84 o   59.721   11.974   33.562   10.106   33.939   13.368   33.059   15.437   61.228   15.952   58.214   17.862 3.014477 23.94821 
1 1 1   -3   13   85 o   43.639   11.378   15.453   9.4024   6.0811   12.570   27.359   14.167   34.558   14.865   52.721   17.230 -18.16231 22.75590 
1 1 1   -3   13   86 o   34.673   10.376   2.8017   8.9945  -8.3937   11.824   18.176   13.857   25.819   12.293   43.527   16.718 -17.70860 20.75108 
1 1 1   -3   13   87 o   49.388   10.462   19.405   9.9182  -3.4927   13.541   45.912   14.569   29.264   13.692   69.512   15.821 -40.24807 20.92310 
1 1 1   -3   13   88 o   31.982   10.081   3.6704   9.0399   9.0650   12.659  -1.9439   12.914   34.986   14.980   28.977   13.495 6.009127 20.16231 
1 1 1   -3   14    1 o  191.049   4.7166  247.869   12.184  250.290   16.724  245.132   17.786  192.055   6.4258  190.044   6.9062 2.010986 9.433261 
1 1 1   -3   14    2 o  181.680   4.7339  223.322   11.628  214.412   15.812  233.815   17.160  177.752   6.5645  185.609   6.8224 -7.857361 9.467699 
1 1 1   -3   14    3 f  163.436   4.7259  181.398   10.449  183.510   14.409  179.056   15.175  164.448   6.4657  162.424   6.8943 2.024521 9.451778 
1 1 1   -3   14    4 o  137.722   4.9246  129.090   9.1584  133.824   12.581  123.754   13.358  140.427   6.6112  135.017   7.3007 5.410446 9.849288 
1 1 1   -3   14    5 o  232.501   4.7907  366.629   15.078  361.844   20.784  371.944   21.906  230.908   6.6420  234.094   6.9055 -3.185425 9.581360 
1 1 1   -3   14    6 o  205.814   5.9167  294.458   15.694  264.755   25.913  311.665   19.723  197.336   9.6901  214.292   6.7919 -16.95503 11.83330 
1 1 1   -3   14    7 o  257.588   6.0682  453.692   20.052  441.665   34.200  459.991   24.753  254.855   9.9025  260.320   7.0167 -5.465149 12.13647 
1 1 1   -3   14    8 o  220.538   5.9720  335.311   16.917  314.623   28.490  346.578   21.024  215.107   9.7735  225.968   6.8658 -10.86049 11.94404 
1 1 1   -3   14    9 o  316.713   5.1838  679.575   22.221  652.967   30.507  709.644   32.431  310.130   7.2590  323.297   7.4024 -13.16669 10.36767 
1 1 1   -3   14   10 o  183.650   4.7586  228.243   11.811  220.241   16.025  237.760   17.477  180.144   6.5643  187.157   6.8910 -7.012207 9.517180 
1 1 1   -3   14   11 o  144.738   4.9156  141.326   9.6083  131.716   12.949  153.099   14.332  139.301   6.8597  150.175   7.0426 -10.87488 9.831278 
1 1 1   -3   14   12 o  262.131   4.9264  466.734   17.474  497.854   24.803  436.063   24.624  270.826   6.7581  253.435   7.1697 17.39151 9.852737 
1 1 1   -3   14   13 o  224.729   5.4000  335.530   14.215  328.438   16.318  357.849   28.947  220.036   5.4725  229.422   9.3109 -9.385468 10.80006 
1 1 1   -3   14   14 o  149.503   5.6467  159.589   9.8286  167.952   11.471  136.498   19.061  157.349   5.3797  141.656   9.9297 15.69348 11.29335 
1 1 1   -3   14   15 f  174.010   5.3881  205.260   11.031  204.867   12.749  206.431   22.001  173.781   5.4136  174.240   9.3176 -0.4591064 10.77614 
1 1 1   -3   14   16 o  183.534   5.3951  229.991   11.622  231.213   13.441  226.369   23.136  184.617   5.3725  182.451   9.3576 2.165161 10.79021 
1 1 1   -3   14   17 o  218.314   5.4651  323.342   16.168  323.342   16.168   0.0000   0.0000  218.314   5.4651  ?   ?       ?      ? 
1 1 1   -3   14   18 o  277.622   5.7001  522.958   21.445  522.958   21.445   0.0000   0.0000  277.622   5.7001  ?   ?       ?      ? 
1 1 1   -3   14   19 o  161.966   5.5615  180.420   10.486  182.567   12.099  173.939   21.018  164.041   5.4426  159.892   9.7004 4.148956 11.12291 
1 1 1   -3   14   20 o  119.444   5.9831   99.881   8.3822  102.986   9.7584   91.142   16.370  123.191   5.8454  115.697   10.441 7.494179 11.96612 
1 1 1   -3   14   21 o  291.433   5.8226  578.459   19.928  579.660   23.036  574.885   39.730  292.263   5.8163  290.603   10.089 1.658997 11.64517 
1 1 1   -3   14   22 o  311.399   5.9459  656.274   21.726  653.346   25.063  665.128   43.580  310.265   5.9609  312.534   10.290 -2.268982 11.89177 
1 1 1   -3   14   23 o  236.817   5.9538  385.728   18.204  396.547   22.720  366.327   30.424  241.639   6.9383  231.995   9.6773 9.643753 11.90758 
1 1 1   -3   14   24 o  169.227   5.4206  194.135   10.841  193.647   12.557  195.565   21.482  168.930   5.4851  169.524   9.3511 -0.5945892 10.84112 
1 1 1   -3   14   25 o  165.199   5.2943  173.221   10.447  160.979   11.996  211.659   21.256  154.008   5.7479  176.389   8.8926 -22.38092 10.58855 
1 1 1   -3   14   26 o  136.544   5.5884  125.551   9.0649  124.290   10.510  129.216   17.914  135.322   5.7311  137.766   9.5955 -2.443558 11.17671 
1 1 1   -3   14   27 o  108.395   6.0663   81.302   7.8689   82.934   9.2313   76.963   15.049  110.522   6.1636  106.267   10.450 4.255440 12.13255 
1 1 1   -3   14   28 o  127.106   5.7137  109.052   8.7664  108.093   10.260  111.645   16.873  126.181   6.0001  128.031   9.7254 -1.850159 11.42734 
1 1 1   -3   14   29 o  212.295   5.3995  300.963   13.649  295.217   15.811  317.771   27.042  208.550   5.5945  216.040   9.2369 -7.490204 10.79899 
1 1 1   -3   14   30 o  270.169   6.1609  506.661   21.620  535.174   27.409  459.708   35.173  280.618   7.2077  259.720   9.9937 20.89780 12.32178 
1 1 1   -3   14   31 o  156.777   5.5185  168.111   10.436  169.283   12.256  165.020   19.900  157.908   5.7276  155.646   9.4346 2.262405 11.03707 
1 1 1   -3   14   32 o  118.789   7.9982   99.915   12.385   78.833   18.962  115.602   16.357  107.303   13.040  130.275   9.2651 -22.97161 15.99639 
1 1 1   -3   14   33 o  167.560   7.0724  190.810   15.880  195.624   24.482  187.314   20.864  169.305   10.671  165.815   9.2850 3.490585 14.14486 
1 1 1   -3   14   34 o  113.293   6.3476   87.190   9.4468   86.475   11.949   88.381   15.427  112.747   7.8208  113.839   10.000 -1.091957 12.69525 
1 1 1   -3   14   35 o  253.190   9.6228  437.061   33.016   0.0000   0.0000  437.061   33.016  ?   ?   253.190   9.6228      ?      ? 
1 1 1   -3   14   36 f  200.889   5.4423  273.950   13.215  273.209   15.503  275.920   25.277  200.578   5.7036  201.200   9.2707 -0.6218719 10.88467 
1 1 1   -3   14   37 o  145.896   5.7547  147.808   10.245  151.820   12.186  138.137   18.922  149.496   6.0151  142.297   9.8125 7.199020 11.50945 
1 1 1   -3   14   38 o  129.448   8.0556  114.079   14.131  114.079   14.131   0.0000   0.0000  129.448   8.0556  ?   ?       ?      ? 
1 1 1   -3   14   39 o  178.811   6.9929  217.441   16.945  217.441   16.945   0.0000   0.0000  178.811   6.9929  ?   ?       ?      ? 
1 1 1   -3   14   40 o  174.682   5.8448  205.793   13.221  201.042   16.347  214.777   22.481  171.925   7.0165  177.439   9.3495 -5.513870 11.68952 
1 1 1   -3   14   41 o  225.740   4.8756  346.764   14.907  339.424   21.284  353.831   20.885  223.378   7.0313  228.103   6.7564 -4.725540 9.751292 
1 1 1   -3   14   42 o  222.181   4.9070  333.736   14.728  369.620   21.800  303.604   19.976  233.106   6.9011  211.257   6.9778 21.84927 9.814057 
1 1 1   -3   14   43 o  144.501   5.1905  143.515   10.026  117.097   14.232  169.547   14.128  131.106   8.0105  157.895   6.6026 -26.78989 10.38091 
1 1 1   -3   14   44 o  146.387   5.0692  146.698   9.9965  132.606   14.427  159.710   13.864  139.543   7.6294  153.231   6.6767 -13.68880 10.13837 
1 1 1   -3   14   45 f   91.250   6.0629   56.642   7.4518   58.120   11.233   55.480   9.9581   92.281   8.9830   90.219   8.1451 2.062012 12.12586 
1 1 1   -3   14   46 o  141.390   5.0580  135.275   9.6607  150.080   14.289  122.810   13.111  148.477   7.1018  134.303   7.2041 14.17439 10.11600 
1 1 1   -3   14   47 o  131.046   5.2845  117.447   9.3391  111.392   13.678  122.735   12.782  127.828   7.8962  134.264   7.0252 -6.435471 10.56903 
1 1 1   -3   14   48 o  184.693   4.8759  231.908   12.187  238.757   17.793  225.854   16.728  187.243   7.0122  182.143   6.7770 5.099686 9.751828 
1 1 1   -3   14   49 o   63.313   8.3911   28.715   6.9003   24.402   10.521   31.971   9.1409   58.297   13.572   68.330   9.8717 -10.03343 16.78212 
1 1 1   -3   14   50 o  110.559   7.3108   86.720   9.7884   77.225   18.031   90.687   11.655  105.797   12.577  115.320   7.4582 -9.522911 14.62169 
1 1 1   -3   14   51 o  230.278   6.1820  362.457   17.883  363.290   31.972  362.077   21.573  230.067   10.255  230.490   6.9069 -0.4226379 12.36405 
1 1 1   -3   14   52 o  154.130   5.2209  162.068   10.867  162.809   16.067  161.443   14.753  154.410   7.6785  153.850   7.0760 0.5592041 10.44171 
1 1 1   -3   14   53 o  157.615   6.1453  168.075   12.770  161.578   16.141  178.945   20.879  153.766   7.7461  161.464   9.5423 -7.698181 12.29056 
1 1 1   -3   14   54 o  178.228   5.9787  214.587   14.001  205.791   17.593  229.783   23.123  173.527   7.4814  182.929   9.3278 -9.401901 11.95739 
1 1 1   -3   14   55 o  162.337   5.1492  180.695   11.288  171.557   16.393  188.936   15.566  158.350   7.6392  166.324   6.9064 -7.973984 10.29837 
1 1 1   -3   14   56 o   82.115   8.5124   44.523   8.9137   31.731   11.229   66.320   14.657   66.375   12.949   97.855   11.053 -31.48077 17.02472 
1 1 1   -3   14   57 o   25.407   8.3857 -10.3376   7.3268  -4.3090   9.5944 -18.7719   11.348   27.368   12.318   23.445   11.382 3.922535 16.77141 
1 1 1   -3   14   58 o   68.327   10.594   34.837   9.6062   27.947   14.965   39.665   12.528   61.350   17.270   75.305   12.276 -13.95524 21.18838 
1 1 1   -3   14   59 o  144.240   6.5523  148.459   11.671  131.848   20.764  156.131   14.112  137.517   11.142  150.963   6.8981 -13.44557 13.10456 
1 1 1   -3   14   60 o   85.343   6.5593   50.584   7.5162   49.205   11.333   51.667   10.042   84.167   9.9364   86.519   8.5653 -2.352776 13.11858 
1 1 1   -3   14   61 o   80.021   8.1087   40.071   8.0141   57.681   15.764   33.933   9.3064   90.206   12.896   69.837   9.8337 20.36958 16.21748 
1 1 1   -3   14   62 o   82.488   8.1547   46.258   8.2570   52.104   15.738   44.037   9.6992   85.327   13.611   79.649   8.9862 5.678276 16.30948 
1 1 1   -3   14   63 o   44.083   9.5531   13.993   6.1924   14.970   9.5296   13.280   8.1469   45.370   14.053   42.796   12.945 2.574242 19.10630 
1 1 1   -3   14   64 o   67.335   7.6539   32.428   6.7440   32.345   10.325   32.490   8.9062   66.557   11.884   68.112   9.6491 -1.554657 15.30774 
1 1 1   -3   14   65 o   94.087   7.7615   62.272   8.8478   64.047   16.836   61.594   10.400   94.053   13.209   94.122   8.1536 -0.6965637E-01 15.52302 
1 1 1   -3   14   66 o   39.231   10.116   6.6577   6.7393   18.304   12.492   1.8764   8.0040   49.428   16.180   29.035   12.145 20.39288 20.23126 
1 1 1   -3   14   67 o   52.132   10.097   20.324   6.9557   21.957   12.559   19.601   8.3541   53.169   16.069   51.095   12.228 2.073257 20.19300 
1 1 1   -3   14   68 o   45.633   10.266   15.293   6.8232   16.757   12.046   14.602   8.2794   47.230   15.902   44.036   12.987 3.193958 20.53153 
1 1 1   -3   14   69 o   32.207   9.5088   1.6246   6.5122   8.2567   11.723  -1.3355   7.8318   38.582   15.216   25.832   11.408 12.75063 19.01755 
1 1 1   -3   14   70 o   43.786   10.864   11.678   8.7930   1.1516   12.040   23.707   12.872   33.302   14.436   54.271   16.238 -20.96926 21.72749 
1 1 1   -3   14   71 o   54.291   11.291   23.652   9.1106   30.671   13.037   16.954   12.737   61.672   15.591   46.911   16.335 14.76080 22.58127 
1 1 1   -3   14   72 o   57.908   11.624   27.734   9.5610   29.155   13.291   26.211   13.764   59.603   16.083   56.212   16.786 3.391476 23.24717 
1 1 1   -3   14   73 o   44.015   10.970   13.852   9.1498   22.900   11.922   0.8857   14.272   52.945   15.576   35.084   15.451 17.86097 21.93977 
1 1 1   -3   14   74 o   29.299   13.138  -2.0605   10.802  -2.0605   10.802   0.0000   0.0000   29.299   13.138  ?   ?       ?      ? 
1 1 1   -3   14   75 o   52.396   11.282   21.054   9.3946   9.9541   12.462   35.666   14.298   39.587   15.665   65.206   16.242 -25.61847 22.56497 
1 1 1   -3   14   76 o   47.359   11.391   15.759   9.2136   6.3663   11.899   29.824   14.560   36.121   14.933   58.597   17.206 -22.47575 22.78252 
1 1 1   -3   14   77 o   36.581   10.725   5.5732   8.7007   1.0547   11.329   12.072   13.586   31.604   13.846   41.558   16.384 -9.954420 21.45078 
1 1 1   -3   14   78 o   52.971   11.480   22.118   9.5348   11.467   12.368   37.722   14.970   40.208   15.698   65.734   16.755 -25.52586 22.95978 
1 1 1   -3   14   79 o   54.856   17.682   27.558   14.950   0.0000   0.0000   27.558   14.950  ?   ?    54.856   17.682      ?      ? 
1 1 1   -3   14   80 o   64.405   16.874   37.465   14.904   0.0000   0.0000   37.465   14.904  ?   ?    64.405   16.874      ?      ? 
1 1 1   -3   14   81 o   33.910   10.046   1.2189   8.4108  -9.5332   11.148   15.426   12.815   25.087   11.942   42.734   16.157 -17.64713 20.09146 
1 1 1   -3   14   82 o   40.810   11.245   12.860   9.1623   6.8728   12.409   20.037   13.586   35.257   14.955   46.362   16.796 -11.10507 22.48908 
1 1 1   -3   14   83 o   40.067   11.216   13.500   9.1715   16.360   12.307   9.9277   13.755   42.506   15.883   37.629   15.841 4.876938 22.43246 
1 1 1   -3   14   84 o   40.962   11.370   15.246   9.4159   19.025   12.792   10.777   13.911   44.246   16.256   37.678   15.900 6.567703 22.73947 
1 1 1   -3   14   85 o   38.892   11.236   13.570   9.3328   12.979   12.443   14.328   14.111   38.293   15.482   39.491   16.289 -1.198475 22.47246 
1 1 1   -3   15    1 o  241.937   4.8686  394.733   15.904  364.641   21.413  431.756   23.751  231.730   6.8188  252.144   6.9510 -20.41470 9.737169 
1 1 1   -3   15    2 f  250.569   4.8997  426.994   16.609  440.221   23.063  412.743   23.939  254.626   6.6838  246.513   7.1661 8.113312 9.799334 
1 1 1   -3   15    3 o  181.191   4.7980  222.812   11.741  221.524   15.935  224.343   17.364  180.634   6.5100  181.749   7.0500 -1.114441 9.595942 
1 1 1   -3   15    4 o  165.688   5.8056  183.239   12.082  177.897   14.472  195.526   21.948  161.868   6.5974  169.508   9.5548 -7.640137 11.61123 
1 1 1   -3   15    5 o  243.097   5.9263  399.888   18.222  396.598   22.065  406.942   32.312  241.675   6.7373  244.519   9.7514 -2.844177 11.85254 
1 1 1   -3   15    6 o  255.064   6.0448  445.397   19.478  450.939   23.685  433.818   34.235  257.696   6.7825  252.432   10.008 5.264038 12.08959 
1 1 1   -3   15    7 o   72.425   8.6993   34.445   7.7992   31.209   9.3282   41.962   14.217   67.700   10.168   77.150   14.118 -9.450500 17.39864 
1 1 1   -3   15    8 o  237.267   5.8835  376.237   17.581  365.652   21.111  400.187   31.756  232.052   6.7134  242.481   9.6641 -10.42909 11.76706 
1 1 1   -3   15    9 o  140.880   5.9617  132.098   10.639  127.224   12.817  142.897   19.078  136.869   6.9103  144.891   9.7167 -8.022064 11.92334 
1 1 1   -3   15   10 o  126.437   6.3554  109.168   9.9909  109.816   11.972  107.682   18.133  127.158   6.9477  125.716   10.644 1.441750 12.71090 
1 1 1   -3   15   11 f   75.724   8.7905   39.001   9.0204   39.001   9.0204   0.0000   0.0000   75.724   8.7905  ?   ?       ?      ? 
1 1 1   -3   15   12 o   76.379   8.7758   39.681   9.0833   39.681   9.0833   0.0000   0.0000   76.379   8.7758  ?   ?       ?      ? 
1 1 1   -3   15   13 o  166.843   5.9885  190.273   12.515  191.883   15.094  186.729   22.388  168.096   6.6260  165.590   9.9772 2.506226 11.97694 
1 1 1   -3   15   14 o  125.510   6.1442  104.870   9.8543  100.575   11.961  113.943   17.386  121.669   7.2547  129.351   9.9183 -7.682037 12.28831 
1 1 1   -3   15   15 o  220.067   5.8561  331.011   16.394  334.309   20.049  324.356   28.479  221.868   6.6684  218.266   9.6284 3.601685 11.71213 
1 1 1   -3   15   16 o  149.363   5.9157  149.790   11.281  146.107   13.728  157.448   19.794  146.660   6.9075  152.066   9.6055 -5.406662 11.83130 
1 1 1   -3   15   17 o  102.221   11.076   71.268   15.342   0.0000   0.0000   71.268   15.342  ?   ?   102.221   11.076      ?      ? 
1 1 1   -3   15   18 o  116.239   6.2684   91.245   9.2143   90.023   11.143   93.889   16.387  115.105   7.1436  117.374   10.302 -2.268906 12.53679 
1 1 1   -3   15   19 f   81.302   7.6541   46.242   7.8482   48.498   9.6291   41.777   13.545   84.437   8.4153   78.167   12.788 6.270103 15.30812 
1 1 1   -3   15   20 o  132.861   6.0656  117.452   10.323  112.324   12.554  128.155   18.139  128.564   7.2060  137.158   9.7592 -8.593124 12.13128 
1 1 1   -3   15   21 o  206.824   5.8619  294.478   15.417  301.442   18.918  280.708   26.603  210.656   6.6271  202.992   9.6710 7.664246 11.72372 
1 1 1   -3   15   22 o  187.214   5.8369  239.404   13.931  241.326   17.063  235.563   24.123  188.475   6.6808  185.954   9.5731 2.521729 11.67375 
1 1 1   -3   15   23 o   81.856   8.1638   48.616   8.0414   52.646   9.8505   40.565   13.923   87.966   8.2634   75.746   14.082 12.21963 16.32761 
1 1 1   -3   15   24 o  106.506   6.5810   73.815   9.0008   67.223   10.890   88.029   15.991   99.405   8.0840  113.606   10.387 -14.20033 13.16198 
1 1 1   -3   15   25 o  133.211   6.0310  117.102   10.349  109.618   12.615  132.508   18.100  126.979   7.3312  139.442   9.5784 -12.46335 12.06199 
1 1 1   -3   15   26 o  112.953   6.2276   86.019   8.3792   85.091   9.7283   88.688   16.492  111.916   6.4145  113.991   10.676 -2.075249 12.45523 
1 1 1   -3   15   27 o  155.285   6.1391  165.444   12.377  168.706   15.515  159.735   20.524  157.520   7.2683  153.049   9.8958 4.470856 12.27822 
1 1 1   -3   15   28 o  213.400   5.9267  302.709   16.318  287.307   19.973  333.626   28.298  205.564   7.1701  221.236   9.4389 -15.67198 11.85337 
1 1 1   -3   15   29 o  199.426   6.0887  277.976   15.650  296.797   19.730  246.040   25.701  208.944   6.9682  189.907   9.9867 19.03638 12.17740 
1 1 1   -3   15   30 o  170.629   5.5641  195.862   11.293  193.443   13.095  202.880   22.304  168.771   5.7256  172.487   9.5423 -3.715271 11.12829 
1 1 1   -3   15   31 o  105.432   6.4739   75.128   8.1692   74.406   9.5130   77.154   15.943  104.622   6.7098  106.241   11.074 -1.618317 12.94782 
1 1 1   -3   15   32 o  130.753   5.8946  115.932   9.2868  115.339   10.868  117.536   17.879  130.288   6.1555  131.218   10.055 -0.9301605 11.78913 
1 1 1   -3   15   33 o  232.686   5.6436  366.329   15.600  363.877   18.102  373.404   30.749  231.448   5.7716  233.923   9.7001 -2.474579 11.28727 
1 1 1   -3   15   34 o  244.023   5.7099  403.069   16.551  400.455   19.206  410.610   32.621  242.788   5.8376  245.258   9.8149 -2.470078 11.41974 
1 1 1   -3   15   35 o  267.543   7.4162  487.116   26.888  487.116   26.888   0.0000   0.0000  267.543   7.4162  ?   ?       ?      ? 
1 1 1   -3   15   36 o  139.521   6.5191  132.352   12.326  132.352   12.326   0.0000   0.0000  139.521   6.5191  ?   ?       ?      ? 
1 1 1   -3   15   37 o  119.254   6.5527  100.231   9.5743  104.997   11.488   89.390   17.326  124.243   6.8231  114.265   11.189 9.977501 13.10536 
1 1 1   -3   15   38 o  209.208   5.5923  291.268   14.034  283.686   16.300  312.992   27.592  204.315   5.8872  214.101   9.5099 -9.786072 11.18465 
1 1 1   -3   15   39 o  177.839   5.5879  212.296   12.091  208.373   14.190  222.695   23.104  175.091   5.9803  180.586   9.4410 -5.495697 11.17573 
1 1 1   -3   15   40 o  120.750   6.4591  106.074   9.3896  115.687   11.293   84.548   16.899  130.426   6.3896  111.073   11.227 19.35295 12.91811 
1 1 1   -3   15   41 o  196.158   5.6262  262.943   13.357  263.787   15.707  260.738   25.388  196.991   5.8839  195.326   9.5916 1.665131 11.25246 
1 1 1   -3   15   42 o  177.927   5.7481  221.229   12.483  228.752   14.880  203.359   22.934  183.421   5.9863  172.434   9.8146 10.98634 11.49615 
1 1 1   -3   15   43 o  137.084   6.6388  130.344   11.994  137.554   15.527  119.678   18.885  142.012   8.0682  132.155   10.545 9.856476 13.27760 
1 1 1   -3   15   44 o  188.638   10.353  243.870   26.465  243.870   26.465   0.0000   0.0000  188.638   10.353  ?   ?       ?      ? 
1 1 1   -3   15   45 f  146.564   6.1654  141.668   11.836  128.274   14.676  166.594   20.020  137.111   7.8986  156.017   9.4690 -18.90581 12.33085 
1 1 1   -3   15   46 f  103.608   5.9471   73.773   8.2812   69.441   12.309   77.356   11.193  100.748   9.0158  106.468   7.7580 -5.719566 11.89412 
1 1 1   -3   15   47 o  130.189   6.8814  119.983   10.900  107.404   19.958  125.328   13.011  124.806   11.801  135.573   7.0822 -10.76678 13.76278 
1 1 1   -3   15   48 o  152.154   6.2379  149.720   11.861  181.448   22.297  137.200   14.007  162.518   10.124  141.789   7.2897 20.72946 12.47572 
1 1 1   -3   15   49 o  142.854   6.3365  140.329   11.778  141.501   14.767  138.280   19.527  143.913   7.5719  141.796   10.162 2.116760 12.67309 
1 1 1   -3   15   50 o  107.607   6.8269   77.911   9.7225   72.255   12.302   87.323   15.869  102.640   8.8443  112.575   10.402 -9.935661 13.65387 
1 1 1   -3   15   51 o  132.481   6.2661  118.757   10.959  113.175   13.863  128.062   17.897  128.557   7.9573  136.406   9.6818 -7.849075 12.53221 
1 1 1   -3   15   52 o  101.948   7.9775   78.098   9.5205   59.161   17.544   86.003   11.335   91.799   14.103  112.098   7.4615 -20.29852 15.95498 
1 1 1   -3   15   54 o  118.825   12.012   98.593   19.342   98.593   19.342   0.0000   0.0000  118.825   12.012  ?   ?       ?      ? 
1 1 1   -3   15   55 o   73.802   7.3466   38.231   7.1919   35.550   11.148   40.143   9.4128   71.355   11.529   76.249   9.1097 -4.894684 14.69328 
1 1 1   -3   15   56 o  115.827   5.5490   92.366   8.6427   91.695   13.026   92.894   11.552  115.340   8.3339  116.315   7.3287 -0.9753571 11.09790 
1 1 1   -3   15   57 o   95.776   6.1027   63.624   7.8164   61.946   11.974   64.870   10.318   94.508   9.3492   97.044   7.8462 -2.536118 12.20534 
1 1 1   -3   15   58 o   54.133   10.372   19.742   7.0261   26.908   14.031   17.343   8.1172   59.658   16.697   48.607   12.310 11.05009 20.74394 
1 1 1   -3   15   59 o   28.299   8.9868  -2.4183   6.2280  -3.2364   12.633  -2.1557   7.1583   32.228   14.347   24.369   10.827 7.859041 17.97363 
1 1 1   -3   15   60 o   52.040   8.9672   20.483   6.2157   17.535   9.8809   22.414   7.9959   48.595   14.147   55.485   11.023 -6.889343 17.93434 
1 1 1   -3   15   61 o   70.446   7.2780   35.124   6.8443   33.902   10.510   36.023   9.0191   69.124   11.219   71.768   9.2736 -2.643394 14.55594 
1 1 1   -3   15   62 f   70.144   9.8384   41.213   7.9404   27.004   15.393   46.365   9.2687   58.722   17.800   81.566   8.3856 -22.84370 19.67671 
1 1 1   -3   15   63 o   67.288   9.3816   32.784   7.5269   35.473   14.479   31.789   8.8110   67.450   16.070   67.125   9.6863 0.3246689 18.76310 
1 1 1   -3   15   64 o   56.334   9.6476   26.449   7.2557   15.325   13.465   31.000   8.6132   46.462   16.737   66.205   9.6004 -19.74313 19.29522 
1 1 1   -3   15   65 o   48.100   10.335   15.101   6.8222   25.886   12.990   10.993   8.0168   57.121   16.093   39.078   12.970 18.04319 20.66908 
1 1 1   -3   15   66 o   44.299   9.2339   15.987   6.8806   0.0749   12.494   22.913   8.2432   33.244   14.553   55.354   11.370 -22.11050 18.46788 
1 1 1   -3   15   67 o   41.976   9.7170   13.629   7.0015   1.7403   12.727   18.789   8.3844   34.436   14.885   49.516   12.495 -15.07972 19.43402 
1 1 1   -3   15   68 o   76.942   10.222   46.203   10.279   31.742   14.201   62.118   14.898   62.161   16.561   91.723   11.986 -29.56178 20.44306 
1 1 1   -3   15   69 o   61.327   10.345   28.916   9.6752   10.818   13.225   49.757   14.192   41.282   16.200   81.372   12.870 -40.08941 20.68984 
1 1 1   -3   15   70 o   85.133   9.2875   54.919   10.711   53.373   14.910   56.567   15.397   83.911   13.112   86.354   13.157 -2.443008 18.57493 
1 1 1   -3   15   71 o   77.544   14.033   47.389   14.204   47.389   14.204   0.0000   0.0000   77.544   14.033  ?   ?       ?      ? 
1 1 1   -3   15   72 o   40.885   15.592   11.717   11.999   11.717   11.999   0.0000   0.0000   40.885   15.592  ?   ?       ?      ? 
1 1 1   -3   15   73 o   31.774   9.7741  -0.5027   8.3382   7.1577   11.306  -9.6367   12.346   36.288   14.728   27.261   12.854 9.026615 19.54823 
1 1 1   -3   15   74 o   40.021   15.443   11.219   11.863   11.219   11.863   0.0000   0.0000   40.021   15.443  ?   ?       ?      ? 
1 1 1   -3   15   75 f   31.172   9.7969  -0.1054   8.2809   0.3444   11.239  -0.6395   12.248   30.917   13.659   31.427   14.048 -0.5108852 19.59381 
1 1 1   -3   15   76 o   44.645   11.448   15.213   9.1130   8.7845   12.024   23.889   13.968   37.553   15.207   51.738   17.118 -14.18497 22.89676 
1 1 1   -3   15   77 o   27.090   9.0164  -9.0904   8.5338 -14.3318   11.602  -2.9109   12.597   24.010   11.621   30.169   13.789 -6.159285 18.03279 
1 1 1   -3   15   78 o   29.421   13.599  -4.2716   12.740   0.0000   0.0000  -4.2716   12.740  ?   ?    29.421   13.599      ?      ? 
1 1 1   -3   15   79 o   32.185   10.031   2.5039   8.4933   2.7570   11.403   2.1885   12.729   31.777   13.907   32.593   14.461 -0.8158436 20.06287 
1 1 1   -3   15   80 o   27.971   9.1926  -4.2842   8.3590  -4.6164   11.261  -3.8767   12.475   27.133   12.625   28.808   13.365 -1.675417 18.38519 
1 1 1   -3   15   81 o   26.431   8.7929  -6.8596   8.2360  -1.5205   11.288 -12.9380   12.044   28.489   13.033   24.372   11.807 4.116365 17.58581 
1 1 1   -3   15   82 o   39.521   11.167   13.642   9.3382   19.247   12.984   7.6359   13.440   43.955   16.336   35.087   15.231 8.868610 22.33488 
1 1 1   -3   15   83 o   55.912   11.991   33.556   10.193   40.247   14.209   26.460   14.632   63.133   16.444   48.691   17.458 14.44141 23.98294 
1 1 1   -3   16    1 o  133.700   5.2368  120.806   9.4477  114.242   12.672  129.021   14.177  129.647   7.2125  137.754   7.5945 -8.107483 10.47361 
1 1 1   -3   16    2 o  124.937   5.4778  104.200   9.1679   93.940   11.914  119.095   14.355  117.550   7.4793  132.324   8.0055 -14.77363 10.95568 
1 1 1   -3   16    3 o  306.560   6.4950  634.680   24.838  626.540   29.702  653.611   45.295  303.613   7.2190  309.506   10.799 -5.893372 12.99007 
1 1 1   -3   16    4 f  264.324   6.2737  471.420   20.571  465.277   24.493  486.126   37.898  261.672   6.9071  266.975   10.475 -5.302673 12.54748 
1 1 1   -3   16    5 o  162.602   6.2673  175.901   12.454  170.762   14.621  189.488   23.774  158.531   6.8060  166.674   10.526 -8.143616 12.53454 
1 1 1   -3   16    6 o  146.581   5.1341  146.360   10.140  149.199   13.707  142.928   15.070  148.182   6.8262  144.981   7.6707 3.201157 10.26823 
1 1 1   -3   16    7 o  204.376   4.8558  284.017   13.422  287.032   18.467  280.641   19.542  205.546   6.6299  203.205   7.0965 2.341003 9.711596 
1 1 1   -3   16    8 o  173.481   4.8990  205.066   11.475  212.188   15.739  196.985   16.765  176.730   6.5718  170.232   7.2673 6.498840 9.798062 
1 1 1   -3   16    9 o   90.094   6.2203   54.365   7.5285   46.236   9.9829   65.085   11.464   82.404   8.9397   97.784   8.6515 -15.37960 12.44053 
1 1 1   -3   16   10 o  159.967   5.0273  171.972   10.835  151.658   14.492  197.727   16.318  149.371   7.1592  170.564   7.0597 -21.19214 10.05459 
1 1 1   -3   16   11 o  276.059   5.0957  518.543   19.032  553.312   26.945  483.928   26.885  285.332   6.9686  266.787   7.4365 18.54501 10.19132 
1 1 1   -3   16   12 o  111.708   5.7228   83.815   8.6069   73.476   11.467   97.152   13.025  103.918   8.1432  119.499   8.0429 -15.58112 11.44555 
1 1 1   -3   16   13 o  192.268   5.7947  263.904   12.870  276.544   14.948  227.682   25.303  201.833   5.4651  182.704   10.220 19.12979 11.58944 
1 1 1   -3   16   14 o  267.087   5.8246  485.241   18.073  485.035   20.770  485.882   36.676  267.270   5.7345  266.904   10.140 0.3662415 11.64926 
1 1 1   -3   16   15 o  187.629   5.7410  246.963   12.439  254.194   14.368  225.326   24.853  193.500   5.4793  181.758   10.090 11.74260 11.48209 
1 1 1   -3   16   16 o  172.246   5.5172  192.915   11.069  184.967   12.617  219.469   23.061  165.050   5.6410  179.442   9.4836 -14.39247 11.03448 
1 1 1   -3   16   17 o  112.857   6.4512   92.867   8.3805   99.338   9.7837   75.035   16.241  120.938   5.9697  104.777   11.438 16.16164 12.90241 
1 1 1   -3   16   18 f   92.755   6.7381   57.114   7.3749   55.589   8.4886   61.808   14.894   90.430   6.9269   95.080   11.560 -4.649483 13.47622 
1 1 1   -3   16   19 o   56.817   9.1715   23.650   6.3336   25.104   7.3519   19.467   12.473   60.702   8.9375   52.933   16.018 7.769253 18.34301 
1 1 1   -3   16   20 o   75.583   8.1435   39.083   7.0008   38.496   8.0622   40.884   14.116   75.211   7.9102   75.954   14.237 -0.7430573 16.28705 
1 1 1   -3   16   21 o  211.950   5.5025  293.355   13.698  281.759   15.684  330.643   28.125  203.688   5.6821  220.211   9.4248 -16.52312 11.00510 
1 1 1   -3   16   22 o  206.357   5.9813  282.882   15.933  267.776   19.505  313.179   27.623  198.421   7.2542  214.293   9.5122 -15.87216 11.96267 
1 1 1   -3   16   23 o  125.014   6.6867  106.034   10.874  104.636   13.553  108.561   18.220  123.974   8.0672  126.054   10.666 -2.079735 13.37346 
1 1 1   -3   16   24 o  206.477   5.5931  284.746   13.644  279.226   15.739  301.438   27.369  202.755   5.7284  210.200   9.6082 -7.445328 11.18623 
1 1 1   -3   16   25 o  234.987   5.7539  377.589   15.855  379.169   18.326  372.887   31.618  236.266   5.7237  233.709   9.9834 2.556808 11.50779 
1 1 1   -3   16   26 f  167.577   5.7947  194.223   11.512  197.511   13.427  185.094   22.372  170.512   5.8107  164.642   10.027 5.869888 11.58938 
1 1 1   -3   16   27 o  130.189   6.0709  114.057   9.4635  112.440   11.011  118.627   18.514  128.618   6.3172  131.761   10.369 -3.142227 12.14172 
1 1 1   -3   16   28 o   62.627   8.9811   21.526   7.1458   11.897   8.3583   47.680   13.775   41.864   13.193   83.391   12.190 -41.52690 17.96220 
1 1 1   -3   16   29 o  128.756   6.5913  120.604   10.059  130.275   11.953   97.127   18.623  138.432   6.3717  119.081   11.541 19.35072 13.18268 
1 1 1   -3   16   30 o  193.658   5.9420  256.337   13.523  257.083   15.642  254.128   26.902  194.502   5.9347  192.814   10.296 1.687515 11.88396 
1 1 1   -3   16   31 o  165.958   5.9530  187.179   13.388  187.179   13.388   0.0000   0.0000  165.958   5.9530  ?   ?       ?      ? 
1 1 1   -3   16   32 o  139.950   6.1819  133.149   11.724  133.149   11.724   0.0000   0.0000  139.950   6.1819  ?   ?       ?      ? 
1 1 1   -3   16   33 o  144.318   5.9402  146.452   10.314  152.161   12.203  132.175   19.297  149.615   6.0188  139.020   10.243 10.59526 11.88031 
1 1 1   -3   16   34 o  105.233   6.6153   76.476   8.5214   77.642   10.126   73.646   15.775  106.808   6.9960  103.659   11.230 3.148361 13.23067 
1 1 1   -3   16   35 o  119.325   6.2885   98.385   9.1533   99.996   10.855   94.421   17.028  121.233   6.6073  117.415   10.702 3.818085 12.57703 
1 1 1   -3   16   36 o   53.694   9.8162   18.444   6.8018   14.456   8.1223   27.808   12.445   45.214   12.721   62.175   14.953 -16.96163 19.63241 
1 1 1   -3   16   37 o  102.624   6.5555   68.030   8.4127   62.379   9.9403   82.296   15.793   95.665   7.6676  109.582   10.635 -13.91703 13.11108 
1 1 1   -3   16   38 o  171.452   5.8039  202.884   12.003  205.727   14.126  195.501   22.764  173.920   5.9937  168.985   9.9407 4.934448 11.60785 
1 1 1   -3   16   39 o  192.203   6.2023  256.531   15.633  270.654   20.079  234.794   24.911  199.257   7.4363  185.150   9.9286 14.10706 12.40461 
1 1 1   -3   16   40 o  118.138   6.3707   96.268   9.3305   97.520   11.181   93.395   16.934  119.641   6.8963  116.635   10.714 3.006844 12.74138 
1 1 1   -3   16   41 o  149.658   6.0029  156.867   10.919  162.034   12.979  144.357   20.197  154.281   6.2081  145.035   10.276 9.245895 12.00582 
1 1 1   -3   16   42 o  176.311   5.5875  205.006   12.125  195.517   14.253  229.859   23.067  169.451   6.2070  183.171   9.2928 -13.72075 11.17509 
1 1 1   -3   16   43 o  105.062   7.5908   78.808   10.392   95.235   14.021   58.789   15.478  117.938   8.7731   92.187   12.390 25.75086 15.18155 
1 1 1   -3   16   44 o  102.867   8.3279   72.800   11.538   76.179   17.454   70.177   15.378  104.889   12.280  100.845   11.253 4.043167 16.65576 
1 1 1   -3   16   45 o   91.926   7.3582   57.376   9.0062   53.962   11.560   62.648   14.366   88.607   9.6272   95.245   11.131 -6.637589 14.71636 
1 1 1   -3   16   46 o  113.041   6.7916   87.381   10.055   85.887   12.641   89.953   16.591  111.944   8.3330  114.137   10.727 -2.192848 13.58324 
1 1 1   -3   16   47 o   70.077   8.6536   35.095   7.5848   35.933   9.3997   33.531   12.841   72.235   9.6025   67.919   14.399 4.315231 17.30714 
1 1 1   -3   16   48 o  132.041   6.1779  120.089   10.235  120.503   12.353  119.183   18.280  132.766   6.8660  131.316   10.272 1.449600 12.35579 
1 1 1   -3   16   49 o   87.285   13.767   53.619   16.284   0.0000   0.0000   53.619   16.284  ?   ?    87.285   13.767      ?      ? 
1 1 1   -3   16   50 o   63.076   10.644   31.396   10.273   7.3620   16.209   47.532   13.281   43.664   17.664   82.489   11.881 -38.82584 21.28813 
1 1 1   -3   16   51 o  104.381   5.9210   74.574   8.3448   83.899   12.325   66.681   11.339  110.396   8.2386   98.367   8.5065 12.02865 11.84203 
1 1 1   -3   16   52 o   89.671   6.3138   56.963   7.4714   46.733   11.206   65.150   10.025   81.996   10.085   97.346   7.5991 -15.35020 12.62766 
1 1 1   -3   16   53 o   57.826   8.3442   22.684   6.3710   32.916   10.238   16.218   8.1387   68.567   11.019   47.086   12.534 21.48154 16.68830 
1 1 1   -3   16   54 o   82.253   8.5045   49.450   8.1497   45.956   15.267   50.843   9.6378   78.752   14.850   85.755   8.2934 -7.003914 17.00910 
1 1 1   -3   16   55 o   90.385   8.4438   63.810   8.6105   46.769   15.644   71.217   10.313   79.155   15.136  101.615   7.4896 -22.46004 16.88751 
1 1 1   -3   16   56 o   39.540   10.166   10.001   6.7385   6.5717   12.805   11.314   7.9246   39.087   15.740   39.993   12.872 -0.9056549 20.33276 
1 1 1   -3   16   57 o   38.164   8.6226   9.3138   5.9817  -2.0926   9.3369   17.255   7.7904   28.047   12.417   48.281   11.967 -20.23406 17.24519 
1 1 1   -3   16   58 o   59.687   8.3451   26.205   6.5154   24.185   10.048   27.670   8.5585   56.734   13.301   62.640   10.082 -5.906178 16.69019 
1 1 1   -3   16   59 o   46.625   10.278   16.914   7.0964   10.083   13.825   19.358   8.2689   42.346   16.579   50.905   12.155 -8.558720 20.55693 
1 1 1   -3   16   60 o   51.137   9.2774   22.319   7.3071   4.0286   13.521   29.864   8.6844   37.340   15.712   64.934   9.8693 -27.59350 18.55484 
1 1 1   -3   16   61 o   41.177   10.429   10.898   6.7220   14.030   13.080   9.7745   7.8359   44.922   16.448   37.432   12.824 7.490211 20.85712 
1 1 1   -3   16   62 o   54.536   10.206   23.989   7.3234   19.564   13.833   25.713   8.6324   50.247   17.040   58.826   11.239 -8.578625 20.41245 
1 1 1   -3   16   63 o   33.574   9.8303   2.6150   6.6968   9.5772   12.628  -0.1089   7.8989   40.286   15.823   26.862   11.669 13.42388 19.66050 
1 1 1   -3   16   64 f   55.027   11.531   24.677   9.4919   17.883   13.757   30.850   13.114   48.127   16.962   61.927   15.626 -13.79990 23.06282 
1 1 1   -3   16   65 o   81.693   9.8198   51.206   10.483   62.618   15.240   40.956   14.443   91.830   12.246   71.557   15.354 20.27292 19.63960 
1 1 1   -3   16   66 o   71.364   10.746   40.324   10.326   52.484   15.099   29.642   14.152   83.143   13.402   59.584   16.801 23.55832 21.49142 
1 1 1   -3   16   67 o   33.119   10.054   1.3985   8.3534  -4.5737   12.009   6.9979   11.628   29.473   13.468   36.765   14.930 -7.291689 20.10710 
1 1 1   -3   16   68 o   58.912   10.828   28.161   9.2409   16.381   12.699   41.419   13.472   45.679   16.276   72.145   14.286 -26.46615 21.65582 
1 1 1   -3   16   69 o   28.170   12.830  -3.7667   10.784  -3.7667   10.784   0.0000   0.0000   28.170   12.830  ?   ?       ?      ? 
1 1 1   -3   16   70 o   65.831   15.032   35.593   13.116   35.593   13.116   0.0000   0.0000   65.831   15.032  ?   ?       ?      ? 
1 1 1   -3   16   71 o   62.099   11.240   32.365   9.5671   26.360   13.002   39.456   14.128   55.440   16.254   68.759   15.529 -13.31864 22.47982 
1 1 1   -3   16   72 o   41.510   10.961   12.607   8.6371   18.412   11.954   6.2669   12.493   46.858   15.841   36.161   15.154 10.69754 21.92180 
1 1 1   -3   16   73 o   51.901   11.380   23.574   9.2597   30.852   12.827   15.653   13.381   59.860   15.640   43.942   16.534 15.91772 22.75908 
1 1 1   -3   16   74 o   32.681   9.8499  -1.9500   8.4595 -14.2815   11.309   13.717   12.747   23.632   11.446   41.729   16.033 -18.09735 19.69988 
1 1 1   -3   16   75 o   43.522   16.768   15.995   13.969   0.0000   0.0000   15.995   13.969  ?   ?    43.522   16.768      ?      ? 
1 1 1   -3   16   76 o   35.895   15.475   6.3683   13.683   0.0000   0.0000   6.3683   13.683  ?   ?    35.895   15.475      ?      ? 
1 1 1   -3   16   77 o   28.901   9.3892  -2.4967   8.3809  -2.6497   11.397  -2.3166   12.367   28.310   13.004   29.492   13.547 -1.181923 18.77837 
1 1 1   -3   16   78 o   31.097   9.8841   1.3341   8.7227   3.1012   11.740  -0.8437   13.033   31.657   13.974   30.536   13.982 1.120901 19.76818 
1 1 1   -3   16   79 o   36.504   10.805   9.9186   9.0702   12.883   12.504   6.6268   13.177   38.604   15.551   34.403   15.006 4.200859 21.61024 
1 1 1   -3   16   80 o   37.982   10.759   11.603   9.1711   20.859   12.588   1.1322   13.388   44.987   16.186   30.978   14.180 14.00856 21.51861 
1 1 1   -3   17    1 o  144.421   5.2600  141.107   10.230  135.246   13.610  148.717   15.510  141.018   7.1220  147.824   7.7425 -6.806091 10.51997 
1 1 1   -3   17    2 o  160.507   5.0762  175.757   10.990  181.679   14.994  168.882   16.155  163.472   6.7683  157.543   7.5670 5.928864 10.15234 
1 1 1   -3   17    3 o  153.313   5.1288  158.798   10.601  149.833   14.153  170.257   16.001  148.435   7.0358  158.192   7.4642 -9.757080 10.25752 
1 1 1   -3   17    4 o  157.945   5.1159  170.092   10.891  173.956   14.753  165.463   16.144  159.956   6.8059  155.933   7.6400 4.022949 10.23186 
1 1 1   -3   17    5 o  153.852   5.1624  159.285   10.704  143.857   14.268  179.142   16.187  145.428   7.2400  162.275   7.3610 -16.84743 10.32480 
1 1 1   -3   17    6 o  141.273   5.3469  135.439   10.208  131.222   13.841  140.467   15.114  138.885   7.3541  143.661   7.7637 -4.776382 10.69384 
1 1 1   -3   17    7 o  173.277   5.0571  202.842   11.826  189.613   15.870  219.362   17.734  166.979   7.0134  179.575   7.2875 -12.59558 10.11412 
1 1 1   -3   17    8 o  180.817   5.0696  221.934   12.379  217.269   16.741  227.560   18.386  178.750   6.9113  182.885   7.4187 -4.134857 10.13916 
1 1 1   -3   17    9 o  174.042   5.0859  205.815   11.950  203.517   16.171  208.579   17.737  173.000   6.8976  175.084   7.4759 -2.083755 10.17184 
1 1 1   -3   17   10 o  137.110   5.3358  126.226   9.8478  111.685   13.077  145.274   14.967  128.111   7.5327  146.109   7.5591 -17.99796 10.67153 
1 1 1   -3   17   11 o  156.052   5.1761  164.960   10.907  157.718   14.697  173.837   16.272  152.273   7.1224  159.831   7.5126 -7.557144 10.35217 
1 1 1   -3   17   12 f  131.633   5.4881  117.220   9.7588  108.246   13.192  128.068   14.503  126.106   7.7194  137.160   7.8030 -11.05448 10.97613 
1 1 1   -3   17   13 o  148.794   5.8522  146.292   10.144  142.168   11.597  159.724   20.930  144.656   5.9161  152.932   10.099 -8.276123 11.70444 
1 1 1   -3   17   14 o  181.375   5.9793  236.019   12.493  248.114   14.509  201.324   24.573  191.125   5.6018  171.626   10.565 19.49902 11.95857 
1 1 1   -3   17   15 o  135.488   6.1095  122.777   9.7728  120.424   11.271  129.907   19.618  133.110   6.2483  137.865   10.501 -4.755112 12.21908 
1 1 1   -3   17   16 o  157.688   6.2543  166.734   12.699  160.870   15.558  178.437   21.980  153.743   7.4675  161.632   10.035 -7.888565 12.50853 
1 1 1   -3   17   17 o  195.793   6.2456  263.868   15.750  269.685   19.574  253.187   26.525  199.082   7.2555  192.504   10.168 6.577759 12.49126 
1 1 1   -3   17   18 o  104.336   8.3552   81.416   10.741   99.430   13.750   53.219   17.203  120.791   8.4002   87.880   14.445 32.91081 16.71031 
1 1 1   -3   17   19 o  205.444   5.8180  292.295   14.117  297.416   16.435  277.881   27.572  209.220   5.7968  201.667   10.089 7.552872 11.63592 
1 1 1   -3   17   20 o  166.961   5.8838  189.449   11.668  188.884   13.553  191.066   22.939  166.713   5.9989  167.210   10.124 -0.4968567 11.76760 
1 1 1   -3   17   21 o  107.676   6.6310   72.183   8.6395   64.750   9.9464   95.025   17.436   97.522   7.5263  117.831   10.919 -20.30893 13.26195 
1 1 1   -3   17   22 o  242.169   5.8524  401.506   16.628  403.338   19.228  396.071   33.118  243.628   5.8239  240.710   10.153 2.917084 11.70471 
1 1 1   -3   17   23 o  234.506   5.8703  374.948   16.069  375.038   18.514  374.674   32.354  234.920   5.8156  234.092   10.199 0.8281860 11.74055 
1 1 1   -3   17   24 o  159.310   6.0572  178.395   11.283  184.007   13.121  162.460   22.110  164.541   5.8843  154.079   10.589 10.46172 12.11437 
1 1 1   -3   17   25 o   64.856   9.6528   27.307   7.2689   25.229   8.2780   34.305   15.192   60.743   10.057   68.970   16.479 -8.227257 19.30556 
1 1 1   -3   17   26 o  135.322   6.2534  124.526   11.467  124.526   11.467   0.0000   0.0000  135.322   6.2534  ?   ?       ?      ? 
1 1 1   -3   17   27 o  104.432   7.1270   74.250   10.086   74.250   10.086   0.0000   0.0000  104.432   7.1270  ?   ?       ?      ? 
1 1 1   -3   17   28 o  124.378   6.3412  104.011   9.3922  102.270   10.889  109.070   18.562  122.601   6.5541  126.155   10.858 -3.554207 12.68235 
1 1 1   -3   17   29 o  120.213   6.5340  101.754   9.2861  105.168   10.866   92.508   17.881  124.327   6.4496  116.100   11.365 8.226952 13.06790 
1 1 1   -3   17   30 o  114.712   6.5062   87.349   8.9085   84.605   10.308   95.450   17.709  111.477   6.8232  117.947   11.080 -6.470146 13.01235 
1 1 1   -3   17   31 o  125.096   6.4177  109.682   9.5311  112.823   11.162  101.229   18.311  128.760   6.3973  121.432   11.127 7.327187 12.83537 
1 1 1   -3   17   32 o  157.615   6.0934  178.432   11.349  188.952   13.377  151.406   21.442  166.671   5.9227  148.558   10.651 18.11337 12.18682 
1 1 1   -3   17   33 o  161.790   6.2444  193.551   11.817  211.728   14.011  148.769   21.992  176.425   5.8604  147.155   11.028 29.26999 12.48876 
1 1 1   -3   17   34 o  105.290   7.0143   77.848   8.8170   80.072   10.360   72.005   16.794  108.387   7.0532  102.194   12.127 6.193153 14.02864 
1 1 1   -3   17   35 o  167.672   5.7687  188.811   11.694  184.959   13.665  199.350   22.603  164.835   6.1176  170.510   9.7820 -5.675323 11.53742 
1 1 1   -3   17   36 f  203.680   5.9794  276.255   15.609  261.806   18.965  306.594   27.481  195.913   7.1435  211.446   9.5908 -15.53256 11.95881 
1 1 1   -3   17   37 o   90.481   7.6219   56.388   9.0087   56.463   11.335   56.260   14.843   90.755   9.2168   90.208   12.142 0.5469589 15.24387 
1 1 1   -3   17   38 o  110.550   6.9142   84.018   9.9549   84.166   12.476   83.758   16.516  110.896   8.3018  110.203   11.059 0.6934204 13.82842 
1 1 1   -3   17   39 o  104.098   8.6283   76.259   11.943   60.942   17.152   90.673   16.639   93.525   13.533  114.671   10.707 -21.14561 17.25660 
1 1 1   -3   17   40 o   68.586   10.810   33.405   9.7906   43.694   14.999   25.767   12.923   77.758   14.775   59.413   15.784 18.34551 21.61976 
1 1 1   -3   17   41 o   58.022   9.7025   25.350   7.3222   28.183   8.8398   19.159   13.070   63.919   10.205   52.126   16.505 11.79346 19.40507 
1 1 1   -3   17   42 o  151.754   6.4773  161.160   12.959  172.322   16.872  145.100   20.237  158.579   7.8515  144.929   10.304 13.64943 12.95465 
1 1 1   -3   17   43 o  145.096   6.0600  145.499   10.805  146.642   12.854  142.747   19.949  146.514   6.4740  143.678   10.246 2.836044 12.11999 
1 1 1   -3   17   44 o   71.036   10.624   36.787   9.9072   42.596   14.523   31.731   13.549   76.495   14.542   65.578   15.493 10.91608 21.24844 
1 1 1   -3   17   45 o   77.953   9.0127   44.640   8.9499   50.719   11.792   36.378   13.746   85.540   10.172   70.365   14.881 15.17522 18.02538 
1 1 1   -3   17   46 o   71.149   9.4686   35.030   9.1293   35.030   9.1293   0.0000   0.0000   71.149   9.4686  ?   ?       ?      ? 
1 1 1   -3   17   47 o   59.358   9.2626   28.947   7.2355   36.394   8.8721   14.155   12.503   72.543   9.0250   46.173   16.178 26.37046 18.52523 
1 1 1   -3   17   48 o   41.956   8.8741   6.1730   6.4121  -4.1303   7.8898   26.217   11.005   24.359   11.047   59.553   13.891 -35.19449 17.74819 
1 1 1   -3   17   49 o   45.881   10.451   13.695   7.6122   7.6721   10.014   21.938   11.716   37.515   14.259   54.248   15.283 -16.73254 20.90232 
1 1 1   -3   17   50 o   45.213   10.545   14.509   7.6263   17.521   10.118   10.547   11.604   48.749   14.352   41.676   15.453 7.072945 21.08904 
1 1 1   -3   17   51 o   39.539   10.177   9.4829   7.3336   13.675   9.7325   3.9752   11.155   43.823   14.278   35.256   14.505 8.567616 20.35369 
1 1 1   -3   17   52 o   39.793   10.068   10.078   6.6412   9.4791   8.2248   11.200   11.258   37.742   13.127   41.844   15.269 -4.102482 20.13644 
1 1 1   -3   17   53 o   59.911   9.2072   25.539   6.9838   22.558   8.5852   31.373   12.008   55.290   11.817   64.532   14.123 -9.241283 18.41443 
1 1 1   -3   17   54 o   71.589   8.9056   37.343   8.3229   36.622   10.869   38.365   12.941   71.692   11.187   71.487   13.859 0.2046661 17.81111 
1 1 1   -3   17   55 o   66.664   10.930   33.581   9.5861   40.185   15.004   29.027   12.461   72.006   15.810   61.321   15.096 10.68534 21.85973 
1 1 1   -3   17   56 o   71.229   10.356   40.751   9.7419   25.495   14.666   52.800   13.033   56.697   17.412   85.760   11.214 -29.06349 20.71110 
1 1 1   -3   17   57 f   80.336   8.6166   47.180   8.2010   48.271   15.321   46.742   9.7090   79.194   14.821   81.478   8.7933 -2.283707 17.23326 
1 1 1   -3   17   58 o   81.452   8.7523   49.799   8.2868   47.603   15.608   50.661   9.7790   78.078   15.298   84.826   8.5071 -6.748764 17.50470 
1 1 1   -3   17   59 f   40.725   9.8888   12.392   6.7670   4.3633   12.723   15.559   7.9909   36.294   15.255   45.157   12.587 -8.863140 19.77765 
1 1 1   -3   17   60 o   55.571   10.187   25.645   7.5273   19.358   13.852   28.280   8.9668   49.573   17.048   61.569   11.158 -11.99590 20.37462 
1 1 1   -3   17   61 o   78.566   9.9267   47.585   10.287   47.186   15.252   47.917   13.934   77.137   15.131   79.996   12.853 -2.858513 19.85344 
1 1 1   -3   17   62 o   62.499   11.123   31.004   9.6206   43.468   14.571   21.371   12.810   73.789   15.081   51.209   16.353 22.57985 22.24543 
1 1 1   -3   17   63 o   42.520   10.608   11.778   8.7733  -1.7775   13.161   22.620   11.770   32.391   14.515   52.648   15.473 -20.25677 21.21535 
1 1 1   -3   17   64 o   52.886   11.524   23.417   9.2911   17.953   13.619   28.173   12.708   47.405   16.859   58.368   15.716 -10.96314 23.04813 
1 1 1   -3   17   65 o   59.538   11.543   29.772   9.5891   27.530   13.176   32.298   13.983   57.193   16.241   61.883   16.407 -4.690434 23.08593 
1 1 1   -3   17   66 o   51.900   16.089   22.634   12.488   22.634   12.488   0.0000   0.0000   51.900   16.089  ?   ?       ?      ? 
1 1 1   -3   17   67 o   60.148   15.773   30.505   13.014   30.505   13.014   0.0000   0.0000   60.148   15.773  ?   ?       ?      ? 
1 1 1   -3   17   68 o   32.671   9.9878   2.4725   8.1147   1.2908   11.376   3.6965   11.578   31.740   13.891   33.602   14.355 -1.861914 19.97556 
1 1 1   -3   17   69 o   49.295   11.627   20.904   9.2386   25.055   13.071   16.761   13.060   53.500   16.440   45.090   16.447 8.410587 23.25447 
1 1 1   -3   17   70 o   37.237   10.441   7.5073   8.4318   15.994   11.827  -1.2639   12.024   43.920   15.701   30.553   13.767 13.36638 20.88188 
1 1 1   -3   17   71 o   36.743   10.689   7.9115   8.6228   4.9296   11.974   11.124   12.427   34.217   14.607   39.269   15.610 -5.052059 21.37852 
1 1 1   -3   17   72 o   52.971   11.942   25.962   9.5982   24.595   12.732   27.761   14.609   51.910   16.271   54.033   17.486 -2.122654 23.88480 
1 1 1   -3   17   73 o   51.266   17.489   25.543   14.573   0.0000   0.0000   25.543   14.573  ?   ?    51.266   17.489      ?      ? 
1 1 1   -3   17   74 o   38.859   16.039   11.530   13.693   0.0000   0.0000   11.530   13.693  ?   ?    38.859   16.039      ?      ? 
1 1 1   -3   17   75 o   34.304   10.471   6.3497   8.8454   5.2758   11.955   7.6485   13.148   33.158   14.379   35.450   15.225 -2.292171 20.94185 
1 1 1   -3   17   76 o   63.223   11.785   40.338   10.459   47.027   14.434   32.942   15.177   71.025   15.437   55.422   17.811 15.60334 23.57002 
1 1 1   -3   17   77 o   49.009   11.428   23.635   9.7184   10.997   13.152   38.839   14.424   36.636   15.460   61.383   16.835 -24.74682 22.85687 
1 1 1   -3   18    1 o  150.567   5.4369  153.423   11.043  144.600   14.786  164.553   16.606  145.723   7.4875  155.410   7.8852 -9.686737 10.87380 
1 1 1   -3   18    2 o  157.773   5.4192  169.420   11.514  168.457   15.424  170.633   17.304  157.311   7.2352  158.235   8.0699 -0.9234467 10.83837 
1 1 1   -3   18    3 o  267.485   5.2324  485.004   18.909  460.955   25.561  514.074   28.102  260.220   7.2486  274.751   7.5478 -14.53104 10.46472 
1 1 1   -3   18    4 o  215.106   5.1654  316.051   15.000  330.905   20.658  299.486   21.815  220.523   6.9128  209.689   7.6771 10.83389 10.33077 
1 1 1   -3   18    5 o  115.447   6.0081   89.735   9.3395   79.576   12.420  102.952   14.167  108.025   8.4846  122.869   8.5088 -14.84383 12.01614 
1 1 1   -3   18    6 f  207.559   5.1075  293.447   14.326  295.807   19.585  290.731   21.008  208.495   6.9319  206.622   7.5030 1.872406 10.21500 
1 1 1   -3   18    7 o  176.551   5.2028  212.248   12.408  212.471   16.889  211.987   18.288  176.686   7.0538  176.416   7.6499 0.2706757 10.40559 
1 1 1   -3   18    8 o  105.934   6.2998   75.805   8.9970   68.448   12.021   85.174   13.566  100.154   8.8571  111.713   8.9611 -11.55909 12.59960 
1 1 1   -3   18    9 o  133.625   6.9700  117.886   12.028  135.679   20.979  109.174   14.680  140.735   11.000  126.515   8.5626 14.22062 13.93994 
1 1 1   -3   18   10 o  142.402   8.0510  138.215   15.536   0.0000   0.0000  138.215   15.536  ?   ?   142.402   8.0510      ?      ? 
1 1 1   -3   18   11 f   80.234   11.080   44.113   12.048   0.0000   0.0000   44.113   12.048  ?   ?    80.234   11.080      ?      ? 
1 1 1   -3   18   12 o  118.155   7.0749   97.094   11.080   86.200   16.963  105.200   14.632  112.142   11.162  124.167   8.6959 -12.02473 14.14976 
1 1 1   -3   18   13 o  190.737   6.3059  254.145   14.990  263.955   18.160  233.171   26.553  196.944   6.8044  184.530   10.619 12.41400 12.61179 
1 1 1   -3   18   14 o  184.527   6.3892  239.190   14.650  250.430   17.752  215.189   25.940  191.825   6.8289  177.229   10.801 14.59589 12.77838 
1 1 1   -3   18   15 o  219.891   6.2088  330.355   17.124  330.855   20.643  329.250   30.664  220.467   6.9095  219.314   10.318 1.152954 12.41763 
1 1 1   -3   18   16 o  181.986   6.3649  233.142   14.413  245.115   17.506  207.947   25.394  189.770   6.8072  174.203   10.757 15.56654 12.72978 
1 1 1   -3   18   17 o  166.406   6.4013  191.532   13.282  195.423   16.015  182.961   23.770  169.420   6.9755  163.392   10.735 6.028015 12.80264 
1 1 1   -3   18   18 o  136.239   6.5806  122.721   11.233  116.457   13.370  137.751   20.712  130.725   7.5475  141.753   10.782 -11.02797 13.16123 
1 1 1   -3   18   19 f  129.049   6.6303  103.076   10.755   87.270   12.660  144.050   20.384  113.093   8.2609  145.006   10.373 -31.91373 13.26061 
1 1 1   -3   18   20 o  128.692   7.5186  112.884   13.112  112.884   13.112   0.0000   0.0000  128.692   7.5186  ?   ?       ?      ? 
1 1 1   -3   18   21 o   69.124   10.491   32.758   9.8271   32.758   9.8271   0.0000   0.0000   69.124   10.491  ?   ?       ?      ? 
1 1 1   -3   18   22 o   70.470   9.8112   42.645   8.3955   54.113   10.137   17.602   14.980   89.021   8.4031   51.919   17.732 37.10135 19.62246 
1 1 1   -3   18   23 o   82.584   8.6269   48.801   8.6444   50.850   10.521   44.546   15.164   86.236   9.0033   78.932   14.718 7.303978 17.25377 
1 1 1   -3   18   24 o   81.530   9.4192   51.911   8.8866   60.022   10.803   34.930   15.629   93.727   8.5053   69.333   16.809 24.39336 18.83849 
1 1 1   -3   18   25 o   78.042   9.1643   45.823   8.5863   51.573   10.586   34.765   14.681   86.824   8.9969   69.259   15.969 17.56526 18.32865 
1 1 1   -3   18   26 o   90.734   7.6880   54.220   8.9524   49.672   10.835   64.003   15.892   85.158   9.3892   96.311   12.176 -11.15302 15.37595 
1 1 1   -3   18   27 o   81.190   8.2883   42.962   8.6795   37.941   10.520   53.667   15.360   74.312   10.447   88.068   12.871 -13.75557 16.57652 
1 1 1   -3   18   28 o   81.204   8.6176   46.953   7.9650   47.720   9.2582   44.768   15.625   83.551   8.1770   78.858   15.172 4.692406 17.23529 
1 1 1   -3   18   29 o  117.694   6.5772   93.838   9.2170   92.602   10.697   97.401   18.162  116.535   6.7735  118.853   11.276 -2.317841 13.15439 
1 1 1   -3   18   30 o  120.285   6.4750   98.216   9.3366   97.074   10.881  101.403   18.181  119.305   6.7301  121.266   11.064 -1.960884 12.95008 
1 1 1   -3   18   31 o   99.789   6.9558   66.018   8.3801   63.251   9.7409   73.898   16.438   96.213   7.4711  103.364   11.735 -7.151085 13.91162 
1 1 1   -3   18   32 o   61.726   9.4842   29.970   7.1762   33.985   8.4774   19.819   13.480   70.384   8.8881   53.068   16.757 17.31604 18.96839 
1 1 1   -3   18   33 o   51.367   9.9833   15.062   6.7552   9.5566   7.8716   30.447   13.159   38.169   12.855   64.564   15.278 -26.39530 19.96664 
1 1 1   -3   18   34 o   57.265   10.627   24.452   8.4033   28.118   10.955   19.213   13.098   62.340   13.369   52.189   16.522 10.15099 21.25369 
1 1 1   -3   18   35 o   88.495   8.1335   52.648   9.4758   47.681   11.847   61.471   15.788   83.051   10.526   93.939   12.402 -10.88786 16.26699 
1 1 1   -3   18   36 o  122.930   6.5394  106.191   9.6694  108.866   11.403   99.345   18.243  126.219   6.6667  119.640   11.252 6.578499 13.07871 
1 1 1   -3   18   37 o   67.894   9.4923   38.306   7.7442   46.211   9.3207   20.683   13.917   82.002   8.3877   53.786   17.031 28.21634 18.98456 
1 1 1   -3   18   38 o  119.331   6.3574   95.445   9.3468   91.827   11.019  104.728   17.648  115.806   7.0215  122.857   10.600 -7.050819 12.71482 
1 1 1   -3   18   39 o  109.157   8.1440   83.109   12.032   77.577   16.813   88.914   17.225  105.364   11.775  112.950   11.253 -7.585716 16.28810 
1 1 1   -3   18   40 o  126.826   6.6958  109.319   11.192  103.158   14.096  119.831   18.411  122.335   8.5028  131.316   10.346 -8.981033 13.39167 
1 1 1   -3   18   41 o   81.513   8.6251   47.128   8.0857   46.909   9.4042   47.752   15.834   82.468   8.4149   80.558   15.058 1.910027 17.25010 
1 1 1   -3   18   42 o   92.357   7.8088   58.744   9.7732   58.744   9.7732   0.0000   0.0000   92.357   7.8088  ?   ?       ?      ? 
1 1 1   -3   18   43 o   87.275   8.6367   56.331   9.4192   62.250   12.041   46.999   15.119   94.666   9.3864   79.885   14.501 14.78150 17.27347 
1 1 1   -3   18   44 o   86.035   7.8974   49.522   8.9736   38.325   11.389   67.856   14.574   73.768   11.393   98.302   10.940 -24.53380 15.79483 
1 1 1   -3   18   45 o   43.892   9.7462   12.537   7.5664   23.039   10.155  -0.5674   11.344   55.629   13.588   32.156   13.976 23.47344 19.49248 
1 1 1   -3   18   46 o   74.895   7.7135   36.690   7.4458   30.866   8.9916   49.396   13.282   66.363   9.9984   83.426   11.748 -17.06290 15.42691 
1 1 1   -3   18   47 o   77.940   7.7204   42.963   7.5872   42.993   9.2042   42.902   13.402   78.590   8.6425   77.290   12.796 1.299164 15.44083 
1 1 1   -3   18   48 o   46.960   9.4051   17.227   6.8605   23.879   8.6902   6.2244   11.177   56.962   11.651   36.957   14.767 20.00443 18.81016 
1 1 1   -3   18   49 o   76.742   8.5567   46.729   7.6435   53.420   9.3469   33.224   13.280   87.675   7.8670   65.808   15.198 21.86655 17.11337 
1 1 1   -3   18   50 o   52.530   9.9165   21.175   6.9094   21.868   8.3439   19.663   12.325   54.276   11.690   50.784   16.022 3.491890 19.83295 
1 1 1   -3   18   51 o   82.058   7.4495   46.341   7.6794   43.701   9.1655   52.561   14.067   78.961   8.5657   85.154   12.191 -6.193375 14.89906 
1 1 1   -3   18   52 o   50.030   10.704   19.428   7.8619   20.615   10.280   17.757   12.202   51.703   14.226   48.356   15.999 3.347191 21.40886 
1 1 1   -3   18   53 o   89.848   7.6915   56.519   9.1985   49.933   11.738   66.998   14.807   83.495   10.374   96.201   11.358 -12.70575 15.38297 
1 1 1   -3   18   54 o   59.138   10.291   27.312   8.1252   26.692   10.714   28.150   12.466   58.730   13.711   59.546   15.350 -0.8161926 20.58229 
1 1 1   -3   18   55 o   74.563   8.9139   42.109   8.6033   44.422   11.329   38.958   13.224   78.377   10.666   70.748   14.285 7.629013 17.82777 
1 1 1   -3   18   56 o   48.728   9.0498   16.987   7.6679   34.170   10.640  -1.5767   11.060   67.239   12.124   30.217   13.439 37.02205 18.09969 
1 1 1   -3   18   57 o   47.014   10.769   17.344   7.8045   16.890   10.474   17.911   11.702   46.412   14.784   47.616   15.664 -1.203999 21.53860 
1 1 1   -3   18   58 o  110.487   8.8208   87.062   13.207   87.062   13.207   0.0000   0.0000  110.487   8.8208  ?   ?       ?      ? 
1 1 1   -3   18   59 o   50.914   14.259   20.758   10.230   20.758   10.230   0.0000   0.0000   50.914   14.259  ?   ?       ?      ? 
1 1 1   -3   18   60 o   92.871   13.229   65.900   16.649   65.900   16.649   0.0000   0.0000   92.871   13.229  ?   ?       ?      ? 
1 1 1   -3   18   61 o   83.606   10.200   56.903   10.796   34.511   15.205   79.668   15.331   63.339   17.249  103.872   10.892 -40.53262 20.39974 
1 1 1   -3   18   62 o   49.412   16.478   20.396   12.934   20.396   12.934   0.0000   0.0000   49.412   16.478  ?   ?       ?      ? 
1 1 1   -3   18   63 o   25.445   12.109 -10.9553   11.446 -10.9553   11.446   0.0000   0.0000   25.445   12.109  ?   ?       ?      ? 
1 1 1   -3   18   64 o   48.927   11.672   20.356   9.1768   20.398   12.867   20.313   13.092   48.985   16.435   48.869   16.577 0.1155624 23.34363 
1 1 1   -3   18   65 o   54.989   11.629   26.446   9.3613   24.259   13.182   28.672   13.296   52.639   16.565   57.340   16.326 -4.700718 23.25846 
1 1 1   -3   18   66 o   44.571   11.021   14.784   9.0387   3.9259   12.523   26.593   13.060   34.278   14.791   54.865   16.343 -20.58671 22.04232 
1 1 1   -3   18   67 o   50.704   11.675   23.021   9.1894   22.435   12.585   23.690   13.450   50.225   16.227   51.183   16.790 -0.9576111 23.35033 
1 1 1   -3   18   68 o   33.031   10.202   3.0016   8.6797   5.1840   12.121   0.7044   12.435   34.322   14.676   31.741   14.174 2.580868 20.40305 
1 1 1   -3   18   69 f   32.279   9.8623  -1.4613   8.7085 -14.4170   11.979   13.063   12.683   24.187   11.731   40.371   15.857 -16.18363 19.72462 
1 1 1   -3   18   70 o   58.997   17.241   33.771   14.651   0.0000   0.0000   33.771   14.651  ?   ?    58.997   17.241      ?      ? 
1 1 1   -3   18   71 o   30.776   13.916   0.4902   12.412   0.0000   0.0000   0.4902   12.412  ?   ?    30.776   13.916      ?      ? 
1 1 1   -3   18   72 o   28.242   9.3041  -3.6245   8.6670  -2.8725   11.670  -4.5493   12.942   28.009   12.970   28.476   13.343 -0.4671440 18.60811 
1 1 1   -3   18   73 o   33.910   10.311   4.4505   8.9317  -4.6370   11.979   15.830   13.404   27.192   12.772   40.627   16.192 -13.43537 20.62268 
1 1 1   -3   18   74 o   37.060   10.834   11.949   8.8765   9.3903   12.235   14.792   12.898   34.974   14.843   39.146   15.785 -4.171719 21.66790 
1 1 1   -3   19    1 o  252.397   7.4810  436.501   25.531  425.091   34.784  449.827   37.591  248.911   10.312  255.883   10.841 -6.972198 14.96197 
1 1 1   -3   19    2 o  251.958   7.4973  435.506   25.558  429.630   35.072  442.159   37.322  250.227   10.343  253.688   10.856 -3.460815 14.99459 
1 1 1   -3   19    3 o  129.677   7.1660  105.362   11.616   91.511   13.637  141.988   22.175  115.696   8.6980  143.658   11.391 -27.96231 14.33193 
1 1 1   -3   19    4 o  170.992   6.7498  208.481   14.239  222.168   17.266  179.379   25.177  180.543   7.0571  161.441   11.508 19.10237 13.49953 
1 1 1   -3   19    5 o  214.817   6.2852  305.144   16.855  289.823   20.006  342.609   31.285  206.188   7.1600  223.445   10.332 -17.25661 12.57050 
1 1 1   -3   19    6 o  131.352   7.2139  122.912   11.552  129.637   13.850  107.541   20.940  137.866   7.4131  124.839   12.378 13.02761 14.42778 
1 1 1   -3   19    7 o   86.912   7.1394   51.449   8.3074   49.574   10.850   54.105   12.915   85.082   9.4107   88.743   10.739 -3.661743 14.27881 
1 1 1   -3   19    8 o  156.005   5.4427  165.679   11.447  162.171   15.355  170.068   17.175  154.200   7.3481  157.809   8.0311 -3.609451 10.88550 
1 1 1   -3   19    9 o  155.674   5.4280  163.173   11.371  146.040   15.051  185.958   17.357  146.293   7.5919  165.054   7.7598 -18.76144 10.85595 
1 1 1   -3   19   10 o   83.427   7.4538   46.893   8.3246   38.143   11.013   58.559   12.716   74.479   10.911   92.374   10.158 -17.89471 14.90761 
1 1 1   -3   19   11 o  121.021   5.9318   99.684   9.6857   95.757   13.003  104.578   14.517  118.391   8.1047  123.651   8.6637 -5.260674 11.86364 
1 1 1   -3   19   12 o  176.316   6.2801  201.055   13.981  182.711   16.634  245.191   25.802  163.625   7.5019  189.006   10.074 -25.38130 12.56021 
1 1 1   -3   19   13 o  152.450   5.9809  158.205   12.356  158.205   12.356   0.0000   0.0000  152.450   5.9809  ?   ?       ?      ? 
1 1 1   -3   19   14 o   84.811   7.6761   49.117   8.8223   49.117   8.8223   0.0000   0.0000   84.811   7.6761  ?   ?       ?      ? 
1 1 1   -3   19   15 o   73.468   8.4760   36.926   8.4386   36.926   8.4386   0.0000   0.0000   73.468   8.4760  ?   ?       ?      ? 
1 1 1   -3   19   16 o  101.106   7.0042   64.210   8.2391   59.138   9.3241   82.279   17.598   93.074   7.3926  109.138   11.899 -16.06425 14.00843 
1 1 1   -3   19   17 o  105.315   7.1661   79.147   8.5740   81.824   9.8533   70.798   17.399  109.552   6.6371  101.078   12.703 8.474686 14.33215 
1 1 1   -3   19   18 o  125.991   6.5517  110.086   9.5359  111.224   10.966  106.556   19.311  127.752   6.3345  124.230   11.471 3.521919 13.10343 
1 1 1   -3   19   19 o   94.423   8.5082   69.783   8.4358   76.406   9.7335   49.793   16.910  105.831   6.7869   83.015   15.604 22.81606 17.01647 
1 1 1   -3   19   20 o   77.290   8.2191   37.495   7.5258   33.924   8.5740   49.482   15.708   70.327   8.9966   84.253   13.758 -13.92616 16.43826 
1 1 1   -3   19   21 o   86.449   8.4546   54.421   8.1099   56.362   9.3727   48.639   16.177   90.793   7.6178   82.104   15.096 8.688812 16.90919 
1 1 1   -3   19   22 o  105.281   7.4940   82.939   8.8741   89.328   10.295   64.461   17.508  114.414   6.6397   96.148   13.437 18.26614 14.98795 
1 1 1   -3   19   23 o  106.261   7.4711   83.981   8.9407   89.882   10.355   66.696   17.722  114.753   6.6589   97.769   13.376 16.98336 14.94217 
1 1 1   -3   19   24 o  100.039   7.1774   68.714   8.5491   68.388   9.9455   69.634   16.731  100.003   7.3389  100.074   12.337 -0.7123566E-01 14.35472 
1 1 1   -3   19   25 o  104.980   7.0530   75.580   8.7847   75.134   10.197   76.863   17.300  104.823   7.1785  105.137   12.143 -0.3134766 14.10593 
1 1 1   -3   19   26 o  107.618   7.1122   83.225   8.9769   86.942   10.503   73.154   17.291  112.786   6.8722  102.450   12.454 10.33540 14.22440 
1 1 1   -3   19   27 o   85.399   7.5665   44.130   7.9757   36.220   9.2408   67.230   15.792   72.502   9.4054   98.296   11.855 -25.79384 15.13306 
1 1 1   -3   19   28 o  125.738   6.7425  111.215   10.090  113.741   11.821  104.436   19.367  128.977   6.7631  122.499   11.666 6.477303 13.48490 
1 1 1   -3   19   29 o  176.989   6.4828  211.482   14.962  200.305   18.557  232.248   25.294  170.801   8.0173  183.176   10.190 -12.37524 12.96562 
1 1 1   -3   19   30 o  132.718   7.2224  125.575   12.411  136.469   15.851  108.313   19.952  140.872   8.3031  124.564   11.820 16.30706 14.44482 
1 1 1   -3   19   31 o  108.794   12.449   83.006   18.353   0.0000   0.0000   83.006   18.353  ?   ?   108.794   12.449      ?      ? 
1 1 1   -3   19   32 o  149.983   6.7256  159.374   12.816  167.346   15.852  144.330   21.775  156.124   7.4928  143.843   11.171 12.28056 13.45111 
1 1 1   -3   19   33 o  110.015   7.3381   85.335   10.409   88.197   13.010   80.244   17.350  113.087   8.4894  106.944   11.972 6.142143 14.67614 
1 1 1   -3   19   34 o   59.924   11.266   26.909   9.3266   28.936   12.923   24.704   13.474   62.289   15.397   57.558   16.451 4.730885 22.53268 
1 1 1   -3   19   35 o  105.352   7.2496   77.642   9.9054   78.382   12.383   76.326   16.505  106.492   8.5810  104.213   11.687 2.278770 14.49920 
1 1 1   -3   19   36 o   53.153   10.270   22.510   8.0243   28.786   9.8804   10.348   13.753   62.950   12.021   43.356   16.655 19.59441 20.53979 
1 1 1   -3   19   37 o   44.184   12.781   14.220   8.0883   14.220   8.0883   0.0000   0.0000   44.184   12.781  ?   ?       ?      ? 
1 1 1   -3   19   38 o   70.160   8.9914   34.210   8.5487   34.210   8.5487   0.0000   0.0000   70.160   8.9914  ?   ?       ?      ? 
1 1 1   -3   19   39 o   45.597   10.277   14.674   6.6880   14.516   7.8731   15.085   12.675   44.468   12.529   46.725   16.294 -2.256413 20.55403 
1 1 1   -3   19   40 o   94.624   7.1288   63.351   8.1751   64.034   9.6589   61.623   15.350   96.287   7.4025   92.960   12.185 3.326767 14.25759 
1 1 1   -3   19   41 f  111.776   6.7940   91.457   9.0023   96.383   10.633   78.993   16.915  118.302   6.6328  105.251   11.859 13.05150 13.58803 
1 1 1   -3   19   42 o   72.126   8.6209   37.133   7.4331   36.164   8.7938   39.557   13.911   71.915   9.0235   72.337   14.692 -0.4223022 17.24184 
1 1 1   -3   19   43 o   85.516   7.5664   52.540   7.9555   53.529   9.5163   50.243   14.498   87.724   8.0051   83.307   12.842 4.416779 15.13281 
1 1 1   -3   19   44 o   96.329   6.9152   62.058   8.2379   57.437   9.6771   74.219   15.700   90.848   7.8605  101.809   11.380 -10.96144 13.83042 
1 1 1   -3   19   45 o   91.861   6.9045   57.427   7.7977   54.437   9.1630   65.278   14.848   88.444   7.6451   95.279   11.500 -6.834953 13.80905 
1 1 1   -3   19   46 o   65.308   8.9859   34.895   7.0708   40.133   8.5646   23.683   12.531   75.681   8.3510   54.935   15.914 20.74509 17.97189 
1 1 1   -3   19   47 o   74.607   8.8346   41.002   8.6344   39.810   11.345   42.642   13.310   74.250   11.276   74.963   13.604 -0.7127762 17.66915 
1 1 1   -3   19   48 o   57.781   10.011   26.766   7.9387   32.868   10.608   18.996   11.969   66.151   12.286   49.411   15.810 16.74016 20.02268 
1 1 1   -3   19   49 o   38.813   10.342   9.6245   7.3778   9.2661   9.9026   10.072   11.061   38.000   14.238   39.626   15.004 -1.626411 20.68435 
1 1 1   -3   19   50 o   43.619   8.9810   11.282   7.6021   28.257   10.328  -8.7912   11.231   60.673   12.955   26.565   12.442 34.10860 17.96198 
1 1 1   -3   19   51 f   33.256   9.5129   3.5832   7.1149   10.108   9.7462  -3.8613   10.411   38.582   14.188   27.931   12.676 10.65056 19.02570 
1 1 1   -3   19   52 o   51.531   10.267   21.429   7.7085   26.573   10.470   15.341   11.391   58.281   13.519   44.780   15.456 13.50088 20.53405 
1 1 1   -3   19   53 o   42.826   10.552   13.864   7.5552   15.465   10.123   11.851   11.351   44.584   14.564   41.067   15.272 3.517712 21.10317 
1 1 1   -3   19   54 o   71.034   11.329   37.257   10.905   37.257   10.905   0.0000   0.0000   71.034   11.329  ?   ?       ?      ? 
1 1 1   -3   19   55 o   48.320   14.648   18.784   10.424   18.784   10.424   0.0000   0.0000   48.320   14.648  ?   ?       ?      ? 
1 1 1   -3   19   56 o   39.489   14.243   11.374   9.7548   11.374   9.7548   0.0000   0.0000   39.489   14.243  ?   ?       ?      ? 
1 1 1   -3   19   57 o   39.731   14.039   11.792   9.4295   11.792   9.4295   0.0000   0.0000   39.731   14.039  ?   ?       ?      ? 
1 1 1   -3   19   58 o   28.278   13.038  -5.3656   11.603  -5.3656   11.603   0.0000   0.0000   28.278   13.038  ?   ?       ?      ? 
1 1 1   -3   19   59 o   48.532   16.455   19.833   12.900   19.833   12.900   0.0000   0.0000   48.532   16.455  ?   ?       ?      ? 
1 1 1   -3   19   60 o   36.652   13.905   9.2605   9.5108   9.2605   9.5108   0.0000   0.0000   36.652   13.905  ?   ?       ?      ? 
1 1 1   -3   19   61 o   29.419   12.617   2.0520   9.0070   2.0520   9.0070   0.0000   0.0000   29.419   12.617  ?   ?       ?      ? 
1 1 1   -3   19   62 o   28.681   12.465   1.2352   9.0222   1.2352   9.0222   0.0000   0.0000   28.681   12.465  ?   ?       ?      ? 
1 1 1   -3   19   63 f   27.078   11.990  -0.2160   8.7085  -0.2160   8.7085   0.0000   0.0000   27.078   11.990  ?   ?       ?      ? 
1 1 1   -3   19   64 o   37.477   13.751   10.877   9.1478   10.877   9.1478   0.0000   0.0000   37.477   13.751  ?   ?       ?      ? 
1 1 1   -3   19   65 o   32.250   12.919   6.4144   8.5777   6.4144   8.5777   0.0000   0.0000   32.250   12.919  ?   ?       ?      ? 
1 1 1   -3   19   66 o   30.238   13.933  -2.5457   13.220  -2.5457   13.220   0.0000   0.0000   30.238   13.933  ?   ?       ?      ? 
1 1 1   -3   19   68 o   30.845   9.7948   1.2629   8.5753  -2.2609   11.902   5.0667   12.366   28.569   13.183   33.122   14.490 -4.553009 19.58953 
1 1 1   -3   19   69 o   27.625   9.0633  -3.3498   8.2300   1.0614   11.408  -8.1370   11.884   29.602   13.368   25.649   12.242 3.953533 18.12653 
1 1 1   -3   19   70 f   33.132   9.7847   1.6985   8.4854 -13.6329   11.642   19.073   12.393   23.163   11.308   43.101   15.972 -19.93808 19.56932 
1 1 1   -3   20    1 o   41.918   10.032   9.9147   6.9871   4.3658   9.0334   18.178   11.024   33.465   13.307   50.372   15.018 -16.90664 20.06478 
1 1 1   -3   20    2 f   64.322   8.8916   28.401   7.5373   21.665   9.8235   38.043   11.753   54.620   13.378   74.023   11.716 -19.40287 17.78325 
1 1 1   -3   20    3 o   64.184   9.2145   30.679   7.7388   37.426   10.266   21.798   11.778   73.622   10.290   54.747   15.289 18.87555 18.42898 
1 1 1   -3   20    4 o   59.742   9.7517   26.503   7.6804   29.385   10.006   22.367   11.983   64.067   11.965   55.418   15.402 8.649437 19.50332 
1 1 1   -3   20    5 f   37.676   10.713   5.8629   7.7701   8.0964   8.8901  -1.3637   15.991   37.239   13.572   38.112   16.579 -0.8728561 21.42575 
1 1 1   -3   20    6 o   66.670   11.146   32.676   8.9292   33.576   10.213   29.756   18.394   69.654   10.820   63.686   19.491 5.967789 22.29257 
1 1 1   -3   20    7 o   76.020   10.589   43.198   9.1822   44.890   10.581   38.034   18.481   80.704   9.6747   71.337   18.838 9.366272 21.17710 
1 1 1   -3   20    8 o   46.779   10.358   15.542   7.3160   17.518   9.4232   12.543   11.608   49.239   13.649   44.319   15.585 4.920399 20.71668 
1 1 1   -3   20    9 o  117.593   6.1762   96.604   9.6532  105.885   12.887   84.740   14.571  124.328   7.6487  110.858   9.6994 13.46997 12.35240 
1 1 1   -3   20   10 o  113.295   6.2736   89.853   9.4274   98.574   12.536   78.500   14.303  119.940   7.7126  106.649   9.8969 13.29138 12.54717 
1 1 1   -3   20   11 o  117.920   6.2137   96.112   9.8401   99.908   13.228   91.409   14.724  120.672   8.0893  115.168   9.4341 5.504707 12.42735 
1 1 1   -3   20   12 o   48.810   10.977   15.129   7.1095   13.714   8.0434   20.183   15.201   43.825   12.766   53.794   17.860 -9.968678 21.95337 
1 1 1   -3   20   13 o   82.407   8.6282   47.651   7.8843   47.320   9.0049   48.738   16.319   83.042   8.0020   81.771   15.289 1.271042 17.25646 
1 1 1   -3   20   14 o   74.910   8.5524   31.542   7.4724   24.030   8.4270   59.180   16.163   57.915   11.142   91.904   12.978 -33.98888 17.10483 
1 1 1   -3   20   15 o  120.371   6.7896  101.033   9.3977  101.962   10.786   98.104   19.147  122.137   6.5169  118.604   11.913 3.533234 13.57917 
1 1 1   -3   20   16 o   64.837   9.8774   36.567   7.5613   42.646   8.6559   16.989   15.534   78.791   8.1068   50.882   18.015 27.90987 19.75471 
1 1 1   -3   20   17 o   54.698   10.483   18.971   7.0426   15.924   8.0346   29.075   14.631   46.871   12.442   62.526   16.875 -15.65511 20.96612 
1 1 1   -3   20   18 o   74.170   8.5454   31.181   7.4982   22.751   8.5386   59.588   15.674   56.150   11.605   92.191   12.546 -36.04095 17.09078 
1 1 1   -3   20   19 o   80.796   7.8098   38.371   7.6680   30.575   8.7822   63.381   15.730   66.463   9.7507   95.128   12.202 -28.66485 15.61955 
1 1 1   -3   20   20 o   60.676   9.8222   27.548   7.2047   28.836   8.3301   23.725   14.353   64.560   9.5215   56.793   17.183 7.766483 19.64439 
1 1 1   -3   20   21 o   79.474   8.4188   43.082   7.6845   41.312   8.8468   48.521   15.510   77.429   8.4314   81.520   14.575 -4.091476 16.83759 
1 1 1   -3   20   22 o   71.377   8.9625   33.769   7.3766   31.128   8.4390   42.320   15.186   67.071   9.2847   75.682   15.333 -8.610641 17.92498 
1 1 1   -3   20   23 o   90.159   8.7404   60.687   9.5836   67.057   11.954   49.226   16.034   98.483   8.9569   81.835   15.012 16.64800 17.48088 
1 1 1   -3   20   24 o   57.213   10.929   24.069   8.4285   23.430   10.513   25.217   14.102   56.331   13.865   58.096   16.897 -1.765224 21.85785 
1 1 1   -3   20   25 o  119.144   7.0162   98.589   10.866   98.164   13.573   99.347   18.135  119.227   8.4006  119.061   11.240 0.1654892 14.03241 
1 1 1   -3   20   26 o  131.462   6.6781  125.827   10.189  132.142   11.886  108.334   19.783  138.873   6.3160  124.051   11.768 14.82211 13.35612 
1 1 1   -3   20   27 o   75.409   8.6263   38.519   7.5612   36.123   8.7237   45.756   15.160   72.181   8.9185   78.638   14.769 -6.456375 17.25251 
1 1 1   -3   20   28 o   42.459   10.819   8.9663   8.8623  -2.2259   12.553   20.089   12.514   32.780   14.461   52.138   16.096 -19.35870 21.63789 
1 1 1   -3   20   29 o   41.743   11.089   10.171   8.5121   8.5448   11.735   11.977   12.366   39.884   15.368   43.603   15.989 -3.719154 22.17713 
1 1 1   -3   20   30 o   72.070   9.2460   39.515   7.4925   41.289   8.6663   34.266   14.909   77.198   8.2842   66.942   16.533 10.25536 18.49205 
1 1 1   -3   20   31 o   67.707   9.4101   33.631   7.3653   33.781   8.5099   33.185   14.703   69.647   9.0165   65.768   16.520 3.879601 18.82013 
1 1 1   -3   20   32 o   87.043   7.7719   52.441   9.1674   52.441   9.1674   0.0000   0.0000   87.043   7.7719  ?   ?       ?      ? 
1 1 1   -3   20   33 o   46.291   12.404   15.882   7.9389   15.882   7.9389   0.0000   0.0000   46.291   12.404  ?   ?       ?      ? 
1 1 1   -3   20   34 o   58.914   8.8818   33.118   7.2416   44.184   8.5119   4.1186   13.779   79.798   7.8714   38.030   15.924 41.76790 17.76354 
1 1 1   -3   20   35 o  100.482   6.9952   68.189   8.4052   65.022   9.7185   77.588   16.743   96.890   7.4018  104.074   11.872 -7.183815 13.99030 
1 1 1   -3   20   36 f  102.578   6.8518   69.445   8.3801   64.648   9.6298   84.415   17.010   96.576   7.3581  108.581   11.561 -12.00530 13.70359 
1 1 1   -3   20   37 o   80.735   8.3364   48.451   7.5683   49.589   8.7894   45.187   14.884   84.451   7.6802   77.019   14.799 7.431465 16.67287 
1 1 1   -3   20   38 f   41.197   10.094   11.711   6.3286   11.978   7.3014   10.906   12.690   40.352   12.265   42.041   16.034 -1.688999 20.18756 
1 1 1   -3   20   39 o   61.641   9.2951   28.963   6.8212   29.682   7.9395   26.936   13.330   64.912   9.0258   58.370   16.252 6.541794 18.59023 
1 1 1   -3   20   40 o   27.485   8.3866  -0.3352   5.9072   4.1877   6.9582 -12.0080   11.178   29.742   11.725   25.227   11.994 4.514936 16.77319 
1 1 1   -3   20   41 o   64.103   8.6416   26.800   6.6279   21.429   7.7049   42.085   12.998   53.705   10.958   74.501   13.365 -20.79618 17.28315 
1 1 1   -3   20   42 o   45.602   9.7270   16.362   6.4051   18.102   7.6519   12.287   11.707   48.960   11.694   42.243   15.547 6.717510 19.45401 
1 1 1   -3   20   43 o   33.038   9.6371   3.6610   7.1890   7.4917   9.3632  -1.8403   11.221   35.701   13.736   30.375   13.522 5.326866 19.27425 
1 1 1   -3   20   44 o   53.969   10.604   23.415   8.0431   25.286   10.560   20.831   12.412   56.878   13.834   51.060   16.075 5.818501 21.20794 
1 1 1   -3   20   45 o   52.344   10.660   21.861   7.9151   21.843   10.391   21.886   12.216   52.577   14.235   52.111   15.871 0.4659920 21.31963 
1 1 1   -3   20   46 o   53.585   10.338   23.821   7.9139   28.329   10.119   16.722   12.698   60.664   12.716   46.505   16.304 14.15909 20.67625 
1 1 1   -3   20   47 o   39.187   10.401   10.189   7.4244   8.7491   9.8249   12.106   11.336   37.048   14.114   41.327   15.283 -4.278675 20.80286 
1 1 1   -3   20   48 o   60.705   10.136   29.772   8.1692   31.937   10.764   26.831   12.545   64.260   12.811   57.151   15.711 7.109772 20.27184 
1 1 1   -3   20   49 o   45.971   10.264   14.764   7.5004   7.1248   9.6641   26.334   11.894   35.158   13.832   56.784   15.169 -21.62640 20.52828 
1 1 1   -3   20   50 o   22.735   10.770  -8.6623   8.8550  -8.6623   8.8550   0.0000   0.0000   22.735   10.770  ?   ?       ?      ? 
1 1 1   -3   20   51 o   22.351   10.610  -8.8010   8.6821  -8.8010   8.6821   0.0000   0.0000   22.351   10.610  ?   ?       ?      ? 
1 1 1   -3   20   52 o   40.151   15.819   10.630   12.657   10.630   12.657   0.0000   0.0000   40.151   15.819  ?   ?       ?      ? 
1 1 1   -3   20   53 o   25.275   12.059 -11.6128   11.507 -11.6128   11.507   0.0000   0.0000   25.275   12.059  ?   ?       ?      ? 
1 1 1   -3   20   54 o   45.963   16.487   17.267   13.051   17.267   13.051   0.0000   0.0000   45.963   16.487  ?   ?       ?      ? 
1 1 1   -3   20   55 o   44.659   14.065   16.218   9.5018   16.218   9.5018   0.0000   0.0000   44.659   14.065  ?   ?       ?      ? 
1 1 1   -3   20   56 o   29.662   12.644   2.4334   8.9479   2.4334   8.9479   0.0000   0.0000   29.662   12.644  ?   ?       ?      ? 
1 1 1   -3   20   57 o   51.526   13.486   21.861   9.5261   21.861   9.5261   0.0000   0.0000   51.526   13.486  ?   ?       ?      ? 
1 1 1   -3   20   58 o   21.815   10.383  -8.3412   8.4223  -8.3412   8.4223   0.0000   0.0000   21.815   10.383  ?   ?       ?      ? 
1 1 1   -3   20   59 o   23.882   11.136  -5.4417   8.8363  -5.4417   8.8363   0.0000   0.0000   23.882   11.136  ?   ?       ?      ? 
1 1 1   -3   20   60 o   39.513   13.959   12.785   9.3222   12.785   9.3222   0.0000   0.0000   39.513   13.959  ?   ?       ?      ? 
1 1 1   -3   20   61 o   43.829   14.052   16.632   9.4515   16.632   9.4515   0.0000   0.0000   43.829   14.052  ?   ?       ?      ? 
1 1 1   -3   20   62 o   39.505   15.939   12.655   13.159   12.655   13.159   0.0000   0.0000   39.505   15.939  ?   ?       ?      ? 
1 1 1   -3   20   63 o   35.666   15.199   8.0944   12.921   8.0944   12.921   0.0000   0.0000   35.666   15.199  ?   ?       ?      ? 
1 1 1   -3   20   64 o   40.941   13.965   15.074   9.2912   15.074   9.2912   0.0000   0.0000   40.941   13.965  ?   ?       ?      ? 
1 1 1   -3   20   65 o   46.720   13.991   20.229   9.5523   20.229   9.5523   0.0000   0.0000   46.720   13.991  ?   ?       ?      ? 
1 1 1   -3   20   66 o   46.811   14.000   20.718   9.5686   20.718   9.5686   0.0000   0.0000   46.811   14.000  ?   ?       ?      ? 
1 1 1   -3   21    1 o   52.636   9.5703   21.294   6.9872   25.747   8.9947   14.518   11.096   59.617   11.551   45.655   15.262 13.96186 19.14051 
1 1 1   -3   21    2 o   31.094   9.2516   1.6274   6.5333   2.0283   8.4422   1.0290   10.316   30.162   12.533   32.026   13.612 -1.864027 18.50330 
1 1 1   -3   21    3 o   59.109   9.0004   23.996   7.2199   14.514   9.3944   37.677   11.284   44.965   13.957   73.252   11.368 -28.28751 18.00081 
1 1 1   -3   21    4 o   39.962   10.029   10.138   6.6995   9.6656   8.6109   10.863   10.664   38.507   13.430   41.416   14.898 -2.909706 20.05763 
1 1 1   -3   21    5 o   34.881   9.1020   5.4130   6.4551   12.634   8.4327  -4.8074   10.032   42.181   13.245   27.582   12.488 14.59823 18.20398 
1 1 1   -3   21    6 o   46.269   10.184   15.124   6.9976   13.320   9.1455   17.673   10.868   43.350   13.815   49.188   14.967 -5.838440 20.36853 
1 1 1   -3   21    7 o   76.515   8.0030   40.441   7.8790   29.257   10.317   56.091   12.204   63.332   12.465   89.698   10.040 -26.36569 16.00591 
1 1 1   -3   21    8 o   48.078   10.056   16.639   6.9624   14.711   9.1789   19.250   10.684   45.118   13.761   51.037   14.668 -5.919178 20.11286 
1 1 1   -3   21    9 o   54.864   9.6297   21.478   7.1217   16.501   9.2701   28.646   11.125   47.447   13.671   62.280   13.565 -14.83321 19.25933 
1 1 1   -3   21   10 o   89.191   6.7850   55.733   8.1064   58.220   10.838   52.574   12.213   91.670   8.7243   86.712   10.394 4.957916 13.56990 
1 1 1   -3   21   11 o   70.710   10.047   39.570   8.5539   43.998   10.226   29.251   15.611   79.517   9.4896   61.903   17.713 17.61395 20.09469 
1 1 1   -3   21   12 o   63.631   9.4828   24.877   6.7605   20.935   7.5634   40.547   15.078   53.772   10.755   73.491   15.621 -19.71938 18.96566 
1 1 1   -3   21   13 f   97.294   7.3577   64.089   8.1479   62.282   9.2324   70.453   17.327   95.125   7.1621   99.463   12.855 -4.338577 14.71543 
1 1 1   -3   21   14 o   88.570   7.6740   52.620   7.7819   50.530   8.8188   59.972   16.541   85.583   7.6039   91.557   13.332 -5.974197 15.34807 
1 1 1   -3   21   15 o   56.594   9.8982   24.442   6.8486   25.714   7.7828   20.078   14.417   60.741   9.4553   52.448   17.392 8.292099 19.79642 
1 1 1   -3   21   16 o   68.979   9.5520   36.193   7.3780   37.524   8.4379   31.869   15.205   73.562   8.4644   64.396   17.126 9.166237 19.10390 
1 1 1   -3   21   17 o  110.066   7.3015   79.521   10.260   69.798   12.294  101.837   18.624  100.133   9.0598  119.998   11.453 -19.86539 14.60307 
1 1 1   -3   21   18 o  100.950   7.7860   72.482   9.9632   73.649   12.193   70.136   17.285  102.924   8.7416   98.976   12.887 3.948524 15.57198 
1 1 1   -3   21   19 o   34.889   9.8682   1.2261   6.2997  -2.5053   7.1715   13.836   13.184   24.079   10.758   45.699   16.547 -21.62060 19.73644 
1 1 1   -3   21   20 o   50.206   10.155   14.246   6.5526   9.3950   7.4560   30.706   13.733   37.104   12.511   63.307   16.000 -26.20358 20.31088 
1 1 1   -3   21   21 o   45.104   9.7028   15.708   6.4280   18.302   7.5182   8.6573   12.394   49.880   11.375   40.328   15.722 9.552071 19.40569 
1 1 1   -3   21   22 o   49.132   9.8160   13.006   6.6010   6.4652   7.6578   31.920   13.022   33.513   12.528   64.750   15.115 -31.23630 19.63209 
1 1 1   -3   21   23 o   66.582   11.011   33.919   9.7597   31.565   13.533   36.470   14.088   64.082   15.706   69.083   15.437 -5.001190 22.02264 
1 1 1   -3   21   24 o   90.848   7.7501   61.717   8.1925   65.384   9.6135   51.992   15.657   97.203   7.2983   84.493   13.674 12.70928 15.50014 
1 1 1   -3   21   25 o   52.352   9.4999   22.935   6.9587   27.631   8.1060   9.7794   13.568   62.693   9.5412   42.012   16.430 20.68106 18.99981 
1 1 1   -3   21   26 o   48.612   11.833   17.592   7.7214   17.592   7.7214   0.0000   0.0000   48.612   11.833  ?   ?       ?      ? 
1 1 1   -3   21   27 o   33.003   12.236   6.5003   7.2761   6.5003   7.2761   0.0000   0.0000   33.003   12.236  ?   ?       ?      ? 
1 1 1   -3   21   28 o   39.994   8.4497   11.547   6.5648   20.797   7.7009 -13.0522   12.558   53.073   11.066   26.916   12.772 26.15666 16.89939 
1 1 1   -3   21   29 o   70.090   8.7466   34.360   7.1616   32.326   8.2903   40.343   14.217   67.785   9.0251   72.395   14.985 -4.609650 17.49326 
1 1 1   -3   21   30 o   52.501   10.068   20.543   6.7418   19.949   7.8443   22.222   13.188   51.720   11.491   53.282   16.536 -1.562378 20.13671 
1 1 1   -3   21   31 o   46.137   9.5944   10.318   6.5201   2.7732   7.6145   31.052   12.623   29.158   11.989   63.117   14.983 -33.95900 19.18878 
1 1 1   -3   21   32 o   59.171   9.6282   30.300   7.2906   35.404   8.5367   16.544   14.015   70.835   8.8932   47.508   17.080 23.32742 19.25633 
1 1 1   -3   21   33 o   80.798   7.7779   44.900   7.6803   42.100   8.9783   52.538   14.829   77.303   8.5706   84.294   12.982 -6.990921 15.55585 
1 1 1   -3   21   34 o   47.508   10.382   16.623   6.7715   15.704   7.9009   19.164   13.143   45.423   12.460   49.593   16.611 -4.169842 20.76476 
1 1 1   -3   21   35 o   43.412   10.223   13.709   6.5215   13.459   7.6037   14.405   12.683   42.179   12.448   44.644   16.220 -2.464558 20.44565 
1 1 1   -3   21   36 o   27.280   8.4774  -0.7050   6.0124   3.1751   6.9522 -12.2166   11.975   28.448   11.548   26.112   12.414 2.335871 16.95477 
1 1 1   -3   21   37 o   54.056   9.9545   19.904   6.5986   16.345   7.5836   30.995   13.389   46.252   11.997   61.861   15.888 -15.60921 19.90900 
1 1 1   -3   21   38 o   42.762   9.4706   12.690   7.7275   24.390   9.8669  -5.8703   12.428   55.998   13.215   29.527   13.569 26.47080 18.94125 
1 1 1   -3   21   39 o   34.775   9.9172   5.7762   7.3513   9.0428   9.4317   0.7199   11.734   37.129   13.899   32.421   14.150 4.708530 19.83442 
1 1 1   -3   21   40 o   45.494   10.560   14.375   7.6300   8.2802   9.6883   24.329   12.381   36.463   13.985   54.524   15.825 -18.06185 21.11961 
1 1 1   -3   21   41 o   44.285   10.460   14.156   7.3262   9.9722   9.3443   20.831   11.803   37.950   13.902   50.621   15.633 -12.67102 20.91990 
1 1 1   -3   21   42 o   47.493   9.8251   18.025   7.6491   27.527   10.163   5.6092   11.617   59.372   12.993   35.613   14.742 23.75882 19.65027 
1 1 1   -3   21   43 o   39.723   10.961   10.112   8.7183   4.5260   13.916   13.721   11.185   36.818   15.733   42.628   15.266 -5.810646 21.92225 
1 1 1   -3   21   44 o   54.578   11.580   24.796   9.1724   27.358   14.057   22.896   12.104   56.623   16.976   52.533   15.753 4.090057 23.15932 
1 1 1   -3   21   45 f   51.118   17.090   22.080   13.912   22.080   13.912   0.0000   0.0000   51.118   17.090  ?   ?       ?      ? 
1 1 1   -3   21   46 o   39.125   15.859   9.0667   13.091   9.0667   13.091   0.0000   0.0000   39.125   15.859  ?   ?       ?      ? 
1 1 1   -3   21   47 o   50.088   14.110   20.431   9.9868   20.431   9.9868   0.0000   0.0000   50.088   14.110  ?   ?       ?      ? 
1 1 1   -3   21   48 o   33.140   13.230   6.0842   8.9626   6.0842   8.9626   0.0000   0.0000   33.140   13.230  ?   ?       ?      ? 
1 1 1   -3   21   49 o   38.014   13.814   10.663   9.2008   10.663   9.2008   0.0000   0.0000   38.014   13.814  ?   ?       ?      ? 
1 1 1   -3   21   50 o   40.355   13.806   12.814   9.0814   12.814   9.0814   0.0000   0.0000   40.355   13.806  ?   ?       ?      ? 
1 1 1   -3   21   51 o   30.636   12.830   3.6880   8.9455   3.6880   8.9455   0.0000   0.0000   30.636   12.830  ?   ?       ?      ? 
1 1 1   -3   21   52 o   32.186   13.122   5.4620   9.0263   5.4620   9.0263   0.0000   0.0000   32.186   13.122  ?   ?       ?      ? 
1 1 1   -3   21   53 o   36.589   13.589   9.9832   8.9820   9.9832   8.9820   0.0000   0.0000   36.589   13.589  ?   ?       ?      ? 
1 1 1   -3   21   54 o   26.040   11.684  -1.2054   8.5579  -1.2054   8.5579   0.0000   0.0000   26.040   11.684  ?   ?       ?      ? 
1 1 1   -3   21   55 o   30.866   12.667   5.0462   8.4793   5.0462   8.4793   0.0000   0.0000   30.866   12.667  ?   ?       ?      ? 
1 1 1   -3   21   56 o   29.647   13.479  -1.1791   11.838  -1.1791   11.838   0.0000   0.0000   29.647   13.479  ?   ?       ?      ? 
1 1 1   -3   21   57 o   26.450   12.472  -6.7970   11.621  -6.7970   11.621   0.0000   0.0000   26.450   12.472  ?   ?       ?      ? 
1 1 1   -3   21   58 f   25.623   12.183  -8.0906   11.539  -8.0906   11.539   0.0000   0.0000   25.623   12.183  ?   ?       ?      ? 
1 1 1   -3   21   59 o   30.921   12.629   6.0084   8.3802   6.0084   8.3802   0.0000   0.0000   30.921   12.629  ?   ?       ?      ? 
1 1 1   -3   21   60 o   19.933   9.6141  -8.7941   7.7710  -8.7941   7.7710   0.0000   0.0000   19.933   9.6141  ?   ?       ?      ? 
1 1 1   -3   21   61 o   37.379   13.483   12.549   8.7410   12.549   8.7410   0.0000   0.0000   37.379   13.483  ?   ?       ?      ? 
1 1 1   -3   22    1 o   36.603   9.6590   8.0008   6.5449   10.573   8.6602   4.5750   9.9945   39.141   13.478   34.065   13.839 5.076828 19.31805 
1 1 1   -3   22    2 o   48.256   9.4401   18.040   6.7734   24.156   8.9466   9.8266   10.368   57.041   11.956   39.471   14.612 17.57039 18.88022 
1 1 1   -3   22    3 o   53.663   8.5529   18.388   6.9176   4.7113   8.8800   39.499   11.033   32.878   13.154   74.449   10.936 -41.57090 17.10581 
1 1 1   -3   22    4 o   43.801   10.565   12.981   8.2293   3.0413   12.492   20.601   10.938   35.691   15.065   51.911   14.817 -16.21996 21.13073 
1 1 1   -3   22    5 o   44.738   12.081   12.442   9.9845   12.323   12.650   12.640   16.260   43.463   16.130   46.012   17.989 -2.548782 24.16178 
1 1 1   -3   22    6 o   30.208   9.0306   1.7003   6.3113   3.5820   7.9432  -1.5218   10.394   30.563   12.365   29.853   13.165 0.7098312 18.06128 
1 1 1   -3   22    7 o   31.297   9.2409   2.4118   6.3961   1.6005   8.1896   3.6805   10.242   29.035   12.223   33.558   13.862 -4.523516 18.48188 
1 1 1   -3   22    8 o   69.416   8.0992   34.311   7.3998   29.843   9.7219   40.465   11.409   63.616   11.709   75.215   11.194 -11.59848 16.19843 
1 1 1   -3   22    9 o   49.702   10.778   16.656   8.3010   29.167   13.161   8.3893   10.697   61.161   15.775   38.242   14.689 22.91932 21.55538 
1 1 1   -3   22   10 o   30.253   9.5434  -2.4449   7.8528  -5.9571   12.743  -0.2948   9.9708   30.439   13.895   30.067   13.085 0.3714771 19.08679 
1 1 1   -3   22   11 o   73.691   10.883   41.688   10.500   38.050   14.287   45.961   15.485   70.091   15.457   77.290   15.326 -7.199677 21.76696 
1 1 1   -3   22   12 o   42.362   10.070   5.0962   7.0555  -2.8533   8.2023   27.714   13.835   25.479   11.435   59.245   16.579 -33.76589 20.14047 
1 1 1   -3   22   13 o   32.135   9.4148   3.3415   6.6495   6.5560   7.8048  -5.1693   12.700   33.531   12.625   30.739   13.970 2.791552 18.82965 
1 1 1   -3   22   14 o   34.869   10.012   3.1239   6.7157   0.1555   7.8377   11.323   13.026   27.165   11.711   42.572   16.243 -15.40746 20.02492 
1 1 1   -3   22   15 o   47.980   10.435   17.694   7.1808   18.723   8.5494   15.230   13.231   49.745   12.653   46.214   16.598 3.530876 20.87048 
1 1 1   -3   22   16 o   27.895   8.9715  -4.7307   6.7317  -6.5841   8.0257  -0.3324   12.363   22.749   10.610   33.041   14.470 -10.29206 17.94305 
1 1 1   -3   22   17 o   52.830   11.464   21.991   9.1440   25.897   12.443   17.406   13.482   57.373   15.595   48.288   16.807 9.085117 22.92772 
1 1 1   -3   22   18 o   81.913   8.5775   46.807   8.9858   42.853   10.853   55.427   16.023   77.433   10.343   86.393   13.687 -8.959900 17.15508 
1 1 1   -3   22   19 o   69.984   10.138   34.069   8.5916   28.676   10.096   48.222   16.357   61.671   12.509   78.297   15.958 -16.62591 20.27619 
1 1 1   -3   22   20 o   51.615   13.359   20.475   9.4165   20.475   9.4165   0.0000   0.0000   51.615   13.359  ?   ?       ?      ? 
1 1 1   -3   22   21 f   62.765   11.894   29.491   9.7458   29.491   9.7458   0.0000   0.0000   62.765   11.894  ?   ?       ?      ? 
1 1 1   -3   22   22 o  101.452   7.7156   73.068   9.7089   71.154   11.561   77.649   17.885  100.480   8.4901  102.423   12.886 -1.942192 15.43115 
1 1 1   -3   22   23 o   66.291   10.029   30.222   8.2498   23.073   9.8173   47.402   15.219   54.653   13.366   77.930   14.955 -23.27680 20.05777 
1 1 1   -3   22   24 o   47.635   10.094   11.475   7.4696   1.9415   8.9085   34.047   13.707   30.015   12.698   65.255   15.693 -35.23978 20.18717 
1 1 1   -3   22   25 o   34.717   9.5570   5.7446   7.1689   11.876   8.6409  -7.7961   12.841   40.196   13.469   29.237   13.563 10.95912 19.11404 
1 1 1   -3   22   26 o   42.280   10.584   12.663   7.2815   11.818   8.9345   14.333   12.566   40.189   13.694   44.370   16.141 -4.180344 21.16741 
1 1 1   -3   22   27 o   49.904   10.445   20.300   7.5969   22.873   9.3559   15.319   13.016   54.408   12.888   45.400   16.441 9.008148 20.88988 
1 1 1   -3   22   28 o   37.727   10.405   8.2844   7.3491   7.5575   9.0127   9.7267   12.695   35.297   13.501   40.157   15.836 -4.860516 20.80956 
1 1 1   -3   22   29 o   35.538   9.8183   1.7937   7.0350  -5.3984   8.5156   17.253   12.485   24.066   11.121   47.009   16.184 -22.94391 19.63662 
1 1 1   -3   22   30 o   35.627   9.9243   7.1514   7.1245   10.157   8.6430   0.7795   12.584   37.865   13.434   33.390   14.611 4.475063 19.84864 
1 1 1   -3   22   31 o   46.465   9.5513   17.869   7.4880   26.394   9.2773   1.9333   12.684   58.750   12.057   34.181   14.817 24.56857 19.10264 
1 1 1   -3   22   32 o   53.065   10.588   21.394   7.5312   18.536   9.1005   27.606   13.416   48.520   13.399   57.611   16.398 -9.091534 21.17614 
1 1 1   -3   22   33 o   31.006   9.9328  -3.5570   8.9885  -0.8989   13.134  -5.8990   12.328   32.823   14.619   29.188   13.451 3.635458 19.86558 
1 1 1   -3   22   34 o   39.730   10.443   10.881   7.8607   15.319   10.049   3.8860   12.617   44.210   14.514   35.249   15.020 8.961002 20.88697 
1 1 1   -3   22   35 o   40.732   10.528   12.173   7.6216   14.346   9.5832   8.4327   12.573   42.937   14.177   38.528   15.568 4.408485 21.05574 
1 1 1   -3   22   36 o   36.462   10.156   7.4361   7.1527   5.3938   8.9670   11.008   11.860   32.737   13.175   40.188   15.459 -7.450550 20.31217 
1 1 1   -3   22   37 o   52.477   10.293   23.233   7.6960   26.675   9.7326   17.489   12.572   58.387   12.665   46.567   16.228 11.82001 20.58535 
1 1 1   -3   22   38 o   54.463   10.392   24.783   7.7890   26.600   9.7961   21.659   12.843   58.168   12.777   50.758   16.392 7.410053 20.78341 
1 1 1   -3   22   39 o   43.765   9.3671   14.888   7.5550   25.712   9.5675  -3.0403   12.313   57.152   12.685   30.378   13.787 26.77383 18.73412 
1 1 1   -3   22   40 f   31.478   13.024   4.1380   9.0606   4.1380   9.0606   0.0000   0.0000   31.478   13.024  ?   ?       ?      ? 
1 1 1   -3   22   41 f   55.850   13.115   24.959   9.7566   24.959   9.7566   0.0000   0.0000   55.850   13.115  ?   ?       ?      ? 
1 1 1   -3   22   42 o   39.129   13.821   11.668   9.1383   11.668   9.1383   0.0000   0.0000   39.129   13.821  ?   ?       ?      ? 
1 1 1   -3   22   43 o   32.274   12.984   5.6211   8.7042   5.6211   8.7042   0.0000   0.0000   32.274   12.984  ?   ?       ?      ? 
1 1 1   -3   22   44 o   40.221   13.708   12.811   8.9518   12.811   8.9518   0.0000   0.0000   40.221   13.708  ?   ?       ?      ? 
1 1 1   -3   22   45 f   43.021   13.718   15.168   9.0164   15.168   9.0164   0.0000   0.0000   43.021   13.718  ?   ?       ?      ? 
1 1 1   -3   22   46 o   51.479   13.411   21.962   9.4494   21.962   9.4494   0.0000   0.0000   51.479   13.411  ?   ?       ?      ? 
1 1 1   -3   22   47 o   37.412   13.640   10.781   8.9810   10.781   8.9810   0.0000   0.0000   37.412   13.640  ?   ?       ?      ? 
1 1 1   -3   22   48 o   32.651   14.172   3.5065   11.635   3.5065   11.635   0.0000   0.0000   32.651   14.172  ?   ?       ?      ? 
1 1 1   -3   22   49 o   29.088   13.211  -1.5110   11.335  -1.5110   11.335   0.0000   0.0000   29.088   13.211  ?   ?       ?      ? 
1 1 1   -3   22   50 o   31.694   13.976   2.5161   11.712   2.5161   11.712   0.0000   0.0000   31.694   13.976  ?   ?       ?      ? 
1 1 1   -3   22   51 o   27.621   12.754  -3.2913   11.164  -3.2913   11.164   0.0000   0.0000   27.621   12.754  ?   ?       ?      ? 
1 1 1   -3   22   52 o   41.126   13.683   14.796   8.9205   14.796   8.9205   0.0000   0.0000   41.126   13.683  ?   ?       ?      ? 
1 1 1   -3   22   53 o   31.667   12.791   6.6430   8.4848   6.6430   8.4848   0.0000   0.0000   31.667   12.791  ?   ?       ?      ? 
1 1 1   -3   22   54 o   26.747   11.733   1.5742   8.1570   1.5742   8.1570   0.0000   0.0000   26.747   11.733  ?   ?       ?      ? 
1 1 1   -3   22   55 o   23.977   11.003  -2.1067   8.1309  -2.1067   8.1309   0.0000   0.0000   23.977   11.003  ?   ?       ?      ? 
1 1 1   -3   23    1 o   49.084   9.4423   18.368   7.8711   1.0338   11.732   32.559   10.615   32.737   14.220   65.431   12.426 -32.69361 18.88452 
1 1 1   -3   23    2 o   42.087   9.6676   11.563   6.5298   5.6061   8.3397   21.002   10.498   32.649   12.848   51.525   14.450 -18.87634 19.33525 
1 1 1   -3   23    3 o   33.326   9.7966   4.2311   6.5356   4.2392   7.5387   4.2066   13.113   30.298   12.120   36.353   15.394 -6.054762 19.59317 
1 1 1   -3   23    4 o   38.546   9.5332   10.697   6.7651   15.614   7.9050  -2.7592   13.078   45.088   12.502   32.005   14.395 13.08366 19.06636 
1 1 1   -3   23    5 o   59.546   10.115   24.939   7.3685   20.849   8.5871   36.360   14.349   52.120   12.348   66.971   16.025 -14.85177 20.23047 
1 1 1   -3   23    6 o   32.624   9.6510   3.8508   6.5532   4.4880   7.6243   2.0488   12.822   30.655   12.214   34.592   14.946 -3.937307 19.30192 
1 1 1   -3   23    7 o   35.400   9.9148   6.9416   6.5694   7.7591   7.6312   4.6020   12.910   34.395   12.568   36.406   15.338 -2.011402 19.82966 
1 1 1   -3   23    8 o   34.946   10.081   3.8841   6.6647   1.3320   7.6804   11.664   13.410   27.643   11.747   42.249   16.387 -14.60600 20.16235 
1 1 1   -3   23    9 o   36.089   10.171   6.9334   6.7928   6.8843   7.8699   7.0770   13.452   33.541   12.667   38.637   15.916 -5.095921 20.34131 
1 1 1   -3   23   10 o   31.601   9.5160   2.7710   6.7189   4.5863   7.8157  -2.3695   13.152   30.955   12.356   32.248   14.476 -1.293137 19.03204 
1 1 1   -3   23   12 f   50.625   16.312   20.711   12.724   20.711   12.724   0.0000   0.0000   50.625   16.312  ?   ?       ?      ? 
1 1 1   -3   23   13 o   29.803   11.410   5.0163   6.4410   5.0163   6.4410   0.0000   0.0000   29.803   11.410  ?   ?       ?      ? 
1 1 1   -3   23   14 o   19.718   9.2012  -5.0087   6.0507  -5.0087   6.0507   0.0000   0.0000   19.718   9.2012  ?   ?       ?      ? 
1 1 1   -3   23   15 o   39.115   9.6732   11.461   6.0292   13.281   6.7424   4.1988   13.469   41.748   11.535   36.482   15.532 5.266033 19.34637 
1 1 1   -3   23   16 o   25.397   8.3039  -3.0873   5.6076  -1.5892   6.2529  -9.2422   12.675   22.649   10.087   28.146   13.193 -5.497473 16.60776 
1 1 1   -3   23   17 o   36.195   9.8254   8.0088   5.9317   8.1965   6.6615   7.2900   13.034   34.147   11.818   38.243   15.700 -4.095627 19.65081 
1 1 1   -3   23   18 o   47.460   10.090   17.221   6.2994   16.945   7.1512   18.177   13.309   47.113   11.338   47.806   16.695 -0.6925125 20.18098 
1 1 1   -3   23   19 o   39.020   8.3924   12.104   6.2140   19.392   7.1196 -11.2029   12.732   50.716   10.696   27.324   12.936 23.39141 16.78484 
1 1 1   -3   23   20 o   44.768   9.6353   8.3400   6.1561   1.7364   6.9534   32.282   13.240   26.798   11.271   62.738   15.630 -35.93941 19.27068 
1 1 1   -3   23   21 o   32.770   9.2809   5.6902   6.1049   8.3012   6.9378  -3.2675   12.850   34.384   12.051   31.157   14.118 3.226940 18.56180 
1 1 1   -3   23   22 o   62.154   9.3060   25.984   6.6091   22.096   7.4734   39.937   14.158   54.218   10.551   70.090   15.332 -15.87181 18.61207 
1 1 1   -3   23   23 o   27.954   8.8759  -1.8621   5.7423  -3.0645   6.4812   2.5276   12.384   21.862   9.9526   34.045   14.699 -12.18380 17.75181 
1 1 1   -3   23   24 o   36.148   9.5870   8.9553   6.1393   11.004   6.9540   1.7173   13.071   38.118   12.036   34.178   14.926 3.939922 19.17396 
1 1 1   -3   23   25 o   40.099   9.8674   12.199   6.1858   13.337   7.0335   8.3148   12.998   41.547   11.890   38.651   15.751 2.895947 19.73479 
1 1 1   -3   23   26 o   45.032   10.036   16.505   6.4407   17.731   7.2811   12.094   13.810   47.991   11.370   42.074   16.540 5.917309 20.07137 
1 1 1   -3   23   27 o   34.606   10.142   5.4885   7.3498   5.7308   8.8020   4.9303   13.358   32.822   13.108   36.389   15.479 -3.567696 20.28379 
1 1 1   -3   23   28 f   38.991   9.8320   10.464   7.6309   17.996   9.3471  -4.5898   13.214   47.324   13.754   30.657   14.053 16.66704 19.66390 
1 1 1   -3   23   29 o   53.819   10.888   23.179   7.9254   21.191   9.5820   27.482   14.101   51.313   13.571   56.325   17.029 -5.011776 21.77519 
1 1 1   -3   23   30 o   36.361   10.114   8.0777   7.5197   11.659   9.2807   1.2338   12.830   39.368   13.926   33.353   14.671 6.014347 20.22755 
1 1 1   -3   23   31 o   26.912   8.6650  -3.7980   7.0651   0.8122   8.6995 -12.7299   12.109   28.236   12.255   25.589   12.253 2.647060 17.32991 
1 1 1   -3   23   32 o   48.468   10.957   17.121   7.8547   11.531   9.5070   29.144   13.942   39.169   14.069   57.768   16.801 -18.59913 21.91372 
1 1 1   -3   23   33 f   33.070   10.057   2.3299   8.3851   7.4209   11.401  -3.6684   12.375   36.243   14.759   29.896   13.665 6.346905 20.11380 
1 1 1   -3   23   34 o   40.985   11.043   12.468   8.5129   10.762   11.751   14.353   12.349   39.229   15.305   42.741   15.922 -3.512032 22.08534 
1 1 1   -3   23   35 f   48.719   15.948   20.408   12.136   20.408   12.136   0.0000   0.0000   48.719   15.948  ?   ?       ?      ? 
1 1 1   -3   23   36 o   45.726   15.826   17.707   11.947   17.707   11.947   0.0000   0.0000   45.726   15.826  ?   ?       ?      ? 
1 1 1   -3   23   37 o   28.095   12.801  -2.8853   10.751  -2.8853   10.751   0.0000   0.0000   28.095   12.801  ?   ?       ?      ? 
1 1 1   -3   23   38 o   21.897   10.643 -13.9316   10.004 -13.9316   10.004   0.0000   0.0000   21.897   10.643  ?   ?       ?      ? 
1 1 1   -3   23   39 o   22.963   11.100 -12.8638   10.505 -12.8638   10.505   0.0000   0.0000   22.963   11.100  ?   ?       ?      ? 
1 1 1   -3   23   40 o   29.105   13.228  -1.9158   11.387  -1.9158   11.387   0.0000   0.0000   29.105   13.228  ?   ?       ?      ? 
1 1 1   -3   23   41 o   39.311   13.674   12.653   8.9244   12.653   8.9244   0.0000   0.0000   39.311   13.674  ?   ?       ?      ? 
1 1 1   -3   23   42 o   45.386   13.732   17.698   9.1668   17.698   9.1668   0.0000   0.0000   45.386   13.732  ?   ?       ?      ? 
1 1 1   -3   23   43 o   19.294   9.3909 -11.3545   7.8608 -11.3545   7.8608   0.0000   0.0000   19.294   9.3909  ?   ?       ?      ? 
1 1 1   -3   23   44 o   42.891   13.694   16.018   8.9833   16.018   8.9833   0.0000   0.0000   42.891   13.694  ?   ?       ?      ? 
1 1 1   -3   23   45 o   24.565   11.197  -2.0638   8.2368  -2.0638   8.2368   0.0000   0.0000   24.565   11.197  ?   ?       ?      ? 
1 1 1   -3   23   46 o   24.909   11.295  -1.3790   8.2429  -1.3790   8.2429   0.0000   0.0000   24.909   11.295  ?   ?       ?      ? 
1 1 1   -3   23   47 o   36.123   13.258   10.978   8.5057   10.978   8.5057   0.0000   0.0000   36.123   13.258  ?   ?       ?      ? 
1 1 1   -3   23   48 f   45.591   13.530   18.931   8.9632   18.931   8.9632   0.0000   0.0000   45.591   13.530  ?   ?       ?      ? 
1 1 1   -3   23   49 o   29.224   12.361   4.6131   8.4395   4.6131   8.4395   0.0000   0.0000   29.224   12.361  ?   ?       ?      ? 
1 1 1   -3   24    1 o   45.169   9.8168   16.546   6.6297   18.386   8.4615   13.622   10.669   48.220   12.753   42.117   14.928 6.103668 19.63361 
1 1 1   -3   24    2 o   27.827   8.6762  -0.4715   6.0932  -1.3901   7.5497   1.2450   10.320   24.927   11.094   30.728   13.343 -5.800512 17.35240 
1 1 1   -3   24    3 o   33.859   12.761   7.4256   7.9777   7.4256   7.9777   0.0000   0.0000   33.859   12.761  ?   ?       ?      ? 
1 1 1   -3   24    4 o   34.273   14.317   4.8680   11.101   4.8680   11.101   0.0000   0.0000   34.273   14.317  ?   ?       ?      ? 
1 1 1   -3   24    5 o   30.632   9.9008  -3.4072   8.8255  -1.7029   10.806  -6.8219   15.295   29.361   13.155   31.903   14.800 -2.542004 19.80150 
1 1 1   -3   24    6 o   45.548   9.8967   16.890   6.7595   18.935   8.6772   13.733   10.780   48.851   12.912   42.245   15.002 6.605595 19.79337 
1 1 1   -3   24    7 o   37.962   9.3845   10.296   6.4798   15.655   8.4373   2.5903   10.117   44.454   13.111   31.471   13.431 12.98296 18.76908 
1 1 1   -3   24    8 o   24.146   7.8940  -4.9386   6.0298  -3.3895   7.8284  -7.1983   9.4547   23.953   10.918   24.339   11.405 -0.3862934 15.78796 
1 1 1   -3   24    9 o   29.112   9.0491   0.3712   6.7247   3.5392   7.8765  -8.1473   12.916   29.620   12.188   28.603   13.379 1.016937 18.09825 
1 1 1   -3   24   10 o   32.384   8.0751   5.6891   5.8959   13.375   6.6125 -24.1145   13.021   41.586   11.396   23.182   11.444 18.40362 16.15022 
1 1 1   -3   24   11 o   33.313   9.6839   4.9016   5.8166   4.2834   6.4759   7.4824   13.232   28.679   11.310   37.947   15.723 -9.268280 19.36783 
1 1 1   -3   24   12 o   27.037   8.7163  -1.6685   5.6517  -1.5432   6.2852  -2.1976   12.917   22.584   10.082   31.490   14.222 -8.906033 17.43268 
1 1 1   -3   24   13 o   37.278   10.124   7.8866   5.9788   6.4632   6.6647   13.753   13.531   31.531   11.707   43.024   16.522 -11.49296 20.24876 
1 1 1   -3   24   14 o   51.054   10.353   18.282   6.2870   15.985   6.9750   28.233   14.517   45.385   11.366   56.723   17.307 -11.33768 20.70557 
1 1 1   -3   24   15 o   47.687   10.443   15.170   6.2419   12.340   6.9506   26.964   14.188   39.856   11.934   55.517   17.139 -15.66113 20.88515 
1 1 1   -3   24   16 o   29.930   9.2198   0.5519   5.7425  -0.9503   6.4426   6.3582   12.666   23.325   10.321   36.536   15.280 -13.21111 18.43958 
1 1 1   -3   24   17 o   38.970   10.182   9.8723   6.0634   8.6785   6.7996   14.507   13.397   34.499   11.939   43.441   16.497 -8.941982 20.36460 
1 1 1   -3   24   18 o   35.372   9.3556   6.9272   7.2955   15.153   8.7545 -11.7693   13.198   43.467   13.470   27.277   12.987 16.19008 18.71119 
1 1 1   -3   24   19 o   33.248   12.948   6.7736   8.3986   6.7736   8.3986   0.0000   0.0000   33.248   12.948  ?   ?       ?      ? 
1 1 1   -3   24   20 o   25.591   8.2335  -4.5846   6.6465   1.8632   8.0213 -18.7101   11.872   28.084   11.972   23.098   11.307 4.986097 16.46695 
1 1 1   -3   24   21 o   27.999   8.8173  -0.6852   6.6664   1.4238   8.3046  -4.5068   11.179   28.057   12.076   27.942   12.851 0.1147919 17.63462 
1 1 1   -3   24   22 o   46.648   10.316   18.654   7.4975   22.217   9.4634   12.649   12.287   52.229   13.327   41.067   15.750 11.16203 20.63203 
1 1 1   -3   24   23 o   40.062   10.065   12.471   7.3524   17.329   9.3433   4.5698   11.915   45.865   13.860   34.258   14.597 11.60696 20.12904 
1 1 1   -3   24   24 o   60.140   9.8053   31.372   7.9860   37.228   10.146   21.834   12.948   70.440   10.629   49.839   16.480 20.60164 19.61050 
1 1 1   -3   24   25 o   39.275   10.215   11.926   7.3461   14.949   9.2055   6.6259   12.190   42.728   13.885   35.822   14.987 6.906528 20.43016 
1 1 1   -3   24   26 o   34.574   9.5044   6.5306   7.2141   13.686   9.1878  -4.9724   11.649   41.094   13.888   28.053   12.980 13.04116 19.00882 
1 1 1   -3   24   27 f   43.057   9.7948   15.615   7.4780   23.055   9.4239   2.9665   12.288   52.919   13.189   33.196   14.485 19.72275 19.58959 
1 1 1   -3   24   28 f   39.122   10.224   12.063   7.2723   14.347   9.1137   8.0594   12.066   41.716   13.828   36.528   15.064 5.188023 20.44829 
1 1 1   -3   24   29 o   55.561   12.901   25.345   9.5273   25.345   9.5273   0.0000   0.0000   55.561   12.901  ?   ?       ?      ? 
1 1 1   -3   24   30 o   37.544   13.564   11.052   8.8526   11.052   8.8526   0.0000   0.0000   37.544   13.564  ?   ?       ?      ? 
1 1 1   -3   24   31 o   32.706   13.050   6.6999   8.7162   6.6999   8.7162   0.0000   0.0000   32.706   13.050  ?   ?       ?      ? 
1 1 1   -3   24   32 o   28.514   12.353   1.9440   8.8060   1.9440   8.8060   0.0000   0.0000   28.514   12.353  ?   ?       ?      ? 
1 1 1   -3   24   33 o   29.831   12.500   4.0350   8.4995   4.0350   8.4995   0.0000   0.0000   29.831   12.500  ?   ?       ?      ? 
1 1 1   -3   24   34 o   54.141   13.096   24.821   9.5037   24.821   9.5037   0.0000   0.0000   54.141   13.096  ?   ?       ?      ? 
1 1 1   -3   24   35 o   45.829   13.949   18.514   9.4391   18.514   9.4391   0.0000   0.0000   45.829   13.949  ?   ?       ?      ? 
1 1 1   -3   24   36 f   43.889   14.009   17.114   9.4010   17.114   9.4010   0.0000   0.0000   43.889   14.009  ?   ?       ?      ? 
1 1 1   -3   24   37 o   57.901   12.932   28.652   9.8906   28.652   9.8906   0.0000   0.0000   57.901   12.932  ?   ?       ?      ? 
1 1 1   -3   24   38 o   68.183   11.046   37.077   10.206   37.077   10.206   0.0000   0.0000   68.183   11.046  ?   ?       ?      ? 
1 1 1   -3   24   39 f   30.194   12.630   5.1180   8.6560   5.1180   8.6560   0.0000   0.0000   30.194   12.630  ?   ?       ?      ? 
1 1 1   -3   24   40 o   32.228   12.975   7.4673   8.7003   7.4673   8.7003   0.0000   0.0000   32.228   12.975  ?   ?       ?      ? 
1 1 1   -3   24   41 o   21.118   10.102  -7.4045   8.1869  -7.4045   8.1869   0.0000   0.0000   21.118   10.102  ?   ?       ?      ? 
1 1 1   -3   25    1 o   35.731   9.8298   7.6636   7.5235  -1.8805   11.583   14.629   9.8949   29.470   13.373   41.992   14.410 -12.52190 19.65958 
1 1 1   -3   25    2 o   30.314   9.3617   1.6524   7.3160  -1.0365   11.019   3.7719   9.7832   29.326   13.200   31.303   13.279 -1.977577 18.72336 
1 1 1   -3   25    3 o   25.946   8.5356  -5.6410   7.2058  -3.2580   10.886  -7.4997   9.6136   27.893   12.774   23.999   11.324 3.893320 17.07122 
1 1 1   -3   25    4 o   45.903   10.216   15.367   7.7661   30.299   12.235   5.2902   10.050   59.028   15.203   32.778   13.652 26.25009 20.43260 
1 1 1   -3   25    5 o   29.126   8.8890  -2.4137   7.3377 -16.3689   10.960   8.9228   9.8783   22.353   10.925   35.899   14.025 -13.54587 17.77806 
1 1 1   -3   25    6 o   34.334   9.7604   6.5336   7.4058  -1.2158   11.581   11.895   9.6329   29.818   13.466   38.850   14.132 -9.031912 19.52087 
1 1 1   -3   25    7 o   31.433   9.4871   0.4288   7.3581   10.955   11.626  -6.6049   9.5037   38.606   15.176   24.260   11.389 14.34556 18.97418 
1 1 1   -3   25    8 o   36.336   10.590   6.9031   8.5678   1.5244   11.495   13.626   12.852   31.350   13.833   41.323   16.038 -9.973259 21.17959 
1 1 1   -3   25    9 o   24.846   7.8651  -5.9307   6.4930   4.5492   7.7883 -29.8146   11.757   29.892   12.188   19.801   9.9441 10.09117 15.73025 
1 1 1   -3   25   10 o   25.970   8.1002  -0.1924   5.6478   3.8794   6.4089 -14.3482   11.950   27.643   11.134   24.297   11.768 3.346033 16.20038 
1 1 1   -3   25   11 o   33.543   9.6516   6.4991   6.0048   6.3463   6.7681   7.0641   13.015   30.892   11.727   36.194   15.332 -5.302135 19.30311 
1 1 1   -3   25   12 o   45.465   10.635   17.720   7.3174   17.483   8.7763   18.258   13.254   45.630   13.347   45.299   16.562 0.3308220 21.27043 
1 1 1   -3   25   13 o   37.793   10.148   11.053   7.1839   13.009   8.7619   7.0385   12.549   39.811   13.561   35.775   15.099 4.036102 20.29541 
1 1 1   -3   25   14 o   37.939   10.343   9.6852   7.1418   6.5297   8.6749   16.323   12.582   32.513   13.003   43.365   16.088 -10.85155 20.68593 
1 1 1   -3   25   15 o   30.231   9.0210   2.6322   6.9021   8.4394   8.3280 -10.1067   12.335   34.238   13.006   26.224   12.505 8.013876 18.04202 
1 1 1   -3   25   16 o   30.260   9.0864  -4.0602   6.7326 -12.8797   8.1944   14.260   11.810   19.315   9.4418   41.205   15.527 -21.89001 18.17278 
1 1 1   -3   25   17 o   34.123   9.5285   7.4884   7.0165   12.234   8.5478  -2.3142   12.285   38.637   13.386   29.610   13.564 9.027090 19.05703 
1 1 1   -3   25   18 o   45.940   10.702   18.368   7.4206   17.250   9.0494   20.662   12.965   44.806   13.663   47.074   16.476 -2.267178 21.40388 
1 1 1   -3   25   19 o   35.543   10.043   7.9769   6.9394   5.4125   8.4567   13.263   12.142   31.018   12.680   40.069   15.578 -9.051722 20.08643 
1 1 1   -3   25   20 o   23.720   7.9006  -5.8056   6.3634  -3.0986   7.7119 -11.5804   11.264   23.297   10.700   24.144   11.627 -0.8468800 15.80118 
1 1 1   -3   25   21 o   25.729   8.3972  -3.1780   6.5300  -3.4853   8.1191  -2.6151   10.988   23.631   10.899   27.826   12.777 -4.194445 16.79430 
1 1 1   -3   25   22 f   31.014   12.764   5.4502   8.6412   5.4502   8.6412   0.0000   0.0000   31.014   12.764  ?   ?       ?      ? 
1 1 1   -3   25   23 o   29.220   12.277   3.9556   8.2358   3.9556   8.2358   0.0000   0.0000   29.220   12.277  ?   ?       ?      ? 
1 1 1   -3   25   24 o   28.667   12.211   3.2891   8.3343   3.2891   8.3343   0.0000   0.0000   28.667   12.211  ?   ?       ?      ? 
1 1 1   -3   25   25 o   23.125   10.693  -3.4650   7.8903  -3.4650   7.8903   0.0000   0.0000   23.125   10.693  ?   ?       ?      ? 
1 1 1   -3   25   26 o   30.438   12.672   5.1741   8.6547   5.1741   8.6547   0.0000   0.0000   30.438   12.672  ?   ?       ?      ? 
1 1 1   -3   25   27 o   28.319   12.290   2.6490   8.7463   2.6490   8.7463   0.0000   0.0000   28.319   12.290  ?   ?       ?      ? 
1 1 1   -3   25   28 o   21.342   10.165  -6.9997   8.1009  -6.9997   8.1009   0.0000   0.0000   21.342   10.165  ?   ?       ?      ? 
1 1 1   -3   25   29 o   32.793   13.049   8.0104   8.6924   8.0104   8.6924   0.0000   0.0000   32.793   13.049  ?   ?       ?      ? 
1 1 1   -3   25   30 o   23.709   10.937  -2.6590   8.1816  -2.6590   8.1816   0.0000   0.0000   23.709   10.937  ?   ?       ?      ? 
1 1 1   -3   25   31 o   25.619   11.582  -0.3254   8.5910  -0.3254   8.5910   0.0000   0.0000   25.619   11.582  ?   ?       ?      ? 
1 1 1   -3   26    1 o   36.663   10.786   10.736   8.8712   12.263   12.657   9.2608   12.437   37.809   15.491   35.518   15.014 2.290352 21.57293 
1 1 1   -3   26    2 o   20.822   10.339 -20.3646   11.213   0.0000   0.0000 -20.3646   11.213  ?   ?    20.822   10.339      ?      ? 
1 1 1   -3   26    3 o   30.757   13.851   2.0813   12.150   0.0000   0.0000   2.0813   12.150  ?   ?    30.757   13.851      ?      ? 
1 1 1   -3   26    4 o   38.340   15.713   12.908   13.026   0.0000   0.0000   12.908   13.026  ?   ?    38.340   15.713      ?      ? 
1 1 1   -3   26    5 o   27.429   12.145   1.4431   8.9345   0.0000   0.0000   1.4431   8.9345  ?   ?    27.429   12.145      ?      ? 
1 1 1   -3   26    6 o   23.481   10.994  -4.5449   8.7572   0.0000   0.0000  -4.5449   8.7572  ?   ?    23.481   10.994      ?      ? 
1 1 1   -3   26    7 o   32.077   14.210   4.3464   12.245   0.0000   0.0000   4.3464   12.245  ?   ?    32.077   14.210      ?      ? 
1 1 1   -3   26    8 o   37.058   10.516   9.5139   8.7782  -0.9782   12.187   20.826   12.654   29.047   13.382   45.069   16.227 -16.02172 21.03280 
1 1 1   -3   26    9 f   35.648   10.519   9.9112   8.4772   8.5906   12.022   11.217   11.955   34.670   14.714   36.626   15.036 -1.955902 21.03816 
1 1 1   -3   26   10 o   39.579   10.942   14.652   8.6715   10.513   12.422   18.585   12.111   36.149   15.127   43.009   15.815 -6.860203 21.88482 
1 1 1   -3   26   11 o   46.622   11.650   22.906   9.1928   22.099   13.119   23.684   12.885   45.767   16.516   47.476   16.436 -1.709270 23.30056 
1 1 1   -3   26   12 o   35.487   10.481   9.9137   8.4543   12.207   11.957   7.6214   11.955   37.202   15.128   33.773   14.511 3.429382 20.96271 
1 1 1   -3   26   13 o   32.785   10.120   6.1639   8.5234   4.3071   12.463   7.7957   11.683   31.875   14.215   33.695   14.408 -1.820923 20.24010 
1 1 1   -3   26   14 o   30.147   13.708   1.6274   12.247   1.6274   12.247   0.0000   0.0000   30.147   13.708  ?   ?       ?      ? 
1 1 1   -2    0    1 o   5.6937   3.6457   0.0251   0.6333   0.0251   0.6333   0.0000   0.0000   5.6937   3.6457   5.6937   3.6457 -0.000000 0.000000 
1 1 1   -2    0    2 o   5.7673   3.7366  -0.0395   0.6911  -0.0395   0.6911   0.0000   0.0000   5.7673   3.7366   5.7673   3.7366 -0.000000 0.000000 
1 1 1   -2    0    3 o   15.710   4.5550   2.0819   1.1567   3.9070   1.7243   0.5885   1.5597   21.403   6.7623   10.018   6.1043 -0.000000 0.000000 
1 1 1   -2    0    4 o   5.5944   2.5548   0.0241   0.4232  -0.3931   0.8518   0.1609   0.4877   5.6793   3.8291   5.5095   3.3834 -0.000000 0.000000 
1 1 1   -2    0    7 o  467.865   8.3827  1484.69   53.038  1544.37   76.619  1429.78   73.493  476.898   11.872  458.833   11.838 -0.000000 0.000000 
1 1 1   -2    0    8 o  468.321   8.3936  1487.44   53.156  1550.17   76.847  1429.90   73.606  477.792   11.885  458.849   11.855 -0.000000 0.000000 
1 1 1   -2    0    9 o  403.427   7.5696  1105.38   41.317  1109.69   58.547  1101.12   58.315  404.211   10.705  402.644   10.705 -0.000000 0.000000 
1 1 1   -2    0   10 f  605.862   10.259  2492.71   84.118  2491.61  118.940  2493.80  118.983  605.729   14.509  605.995   14.508 -0.000000 0.000000 
1 1 1   -2    0   11 o  229.618   5.6645  358.573   17.575  351.305   24.738  365.980   24.974  227.256   8.0556  231.981   7.9657 -0.000000 0.000000 
1 1 1   -2    0   12 o  230.494   5.6837  361.345   17.704  361.944   25.095  360.753   24.980  230.684   8.0498  230.305   8.0260 -0.000000 0.000000 
1 1 1   -2    0   13 o  131.043   5.0432  117.454   8.8880  112.232   12.562  122.689   12.577  128.073   7.2920  134.014   6.9686 -0.000000 0.000000 
1 1 1   -2    0   14 o  2260.10   49.638 34903.85  1518.64   0.0000   0.0000 34903.85  1518.64  2260.10   49.638  2260.10   49.638 -0.000000 0.000000 
1 1 1   -2    0   15 o  2648.52   41.258 47725.41  1472.81 52060.24  2211.55 44270.67  1974.32  2755.43   59.290  2541.60   57.389 -0.000000 0.000000 
1 1 1   -2    0   16 o  612.775   10.381  2550.34   86.089  2542.95  121.601  2557.76  121.896  611.884   14.684  613.667   14.677 -0.000000 0.000000 
1 1 1   -2    0   17 o  645.169   10.835  2827.20   94.604  2850.06  134.501  2804.82  133.092  647.752   15.342  642.585   15.304 -0.000000 0.000000 
1 1 1   -2    0   18 o  689.359   11.464  3227.97  106.956  3267.05  152.437  3190.06  150.106  693.472   16.241  685.245   16.185 -0.000000 0.000000 
1 1 1   -2    0   19 o  120.564   5.2284   99.641   8.4666   97.941   12.024  101.311   11.924  119.515   7.4917  121.614   7.2951 -0.000000 0.000000 
1 1 1   -2    0   20 o   84.482   7.8845   49.625   8.8458   49.625   8.8458   0.0000   0.0000   84.482   7.8845   84.482   7.8845 -0.000000 0.000000 
1 1 1   -2    0   21 o  727.713   17.013  3599.73  167.568  3599.73  167.568   0.0000   0.0000  727.713   17.013  727.713   17.013 -0.000000 0.000000 
1 1 1   -2    0   22 o   96.292   5.4942   64.215   7.0346   58.500   9.9609   69.902   9.9359   91.830   8.1523  100.754   7.3677 -0.000000 0.000000 
1 1 1   -2    0   23 o  258.956   6.1101  456.114   21.386  448.797   30.186  463.488   30.303  256.858   8.6947  261.054   8.5870 -0.000000 0.000000 
1 1 1   -2    0   24 o  360.164   7.1832  881.562   34.993  892.426   49.887  871.039   49.098  362.351   10.178  357.977   10.139 -0.000000 0.000000 
1 1 1   -2    0   25 o  124.071   5.4988  105.873   9.1098   93.328   12.836  118.605   12.931  116.468   8.2270  131.674   7.2982 -0.000000 0.000000 
1 1 1   -2    0   26 o  141.207   5.4905  136.256   10.428  141.354   15.019  131.511   14.491  143.778   7.7604  138.635   7.7690 -0.000000 0.000000 
1 1 1   -2    0   27 o  268.416   6.2602  490.018   22.714  492.945   32.335  487.168   31.912  269.206   8.8855  267.626   8.8210 -0.000000 0.000000 
1 1 1   -2    0   28 o  433.887   8.1023  1279.19   47.559  1296.34   67.891  1262.66   66.644  436.745   11.489  431.030   11.428 -0.000000 0.000000 
1 1 1   -2    0   29 o  305.318   6.6503  633.455   27.449  648.898   39.368  618.844   38.292  308.946   9.4232  301.690   9.3867 -0.000000 0.000000 
1 1 1   -2    0   30 o  125.942   5.7030  108.875   9.6367  106.887   13.760  110.789   13.501  124.769   8.2200  127.116   7.9075 -0.000000 0.000000 
1 1 1   -2    0   31 o  340.491   7.0469  787.821   32.449  796.894   46.300  779.062   45.490  342.419   9.9971  338.563   9.9345 -0.000000 0.000000 
1 1 1   -2    0   32 o  1476.67   32.767 14871.39  654.959   0.0000   0.0000 14871.39  654.959  1476.67   32.767  1476.67   32.767 -0.000000 0.000000 
1 1 1   -2    0   33 o  882.541   14.306  5295.16  170.888  5318.53  242.602  5272.15  240.753  884.472   20.265  880.610   20.199 -0.000000 0.000000 
1 1 1   -2    0   34 o  311.827   6.8079  660.967   28.701  644.546   40.442  677.629   40.738  307.905   9.7142  315.749   9.5406 -0.000000 0.000000 
1 1 1   -2    0   35 o  360.526   7.3188  883.153   35.687  891.039   50.905  875.531   50.042  362.108   10.393  358.944   10.307 -0.000000 0.000000 
1 1 1   -2    0   36 o  127.870   6.0133  112.331   10.307  107.850   14.579  116.810   14.573  125.248   8.6854  130.491   8.3188 -0.000000 0.000000 
1 1 1   -2    0   37 o  217.830   6.1243  322.542   17.990  345.789   26.018  301.245   24.903  225.387   8.5465  210.273   8.7742 -0.000000 0.000000 
1 1 1   -2    0   38 o  624.204   15.115  2647.31  127.689  2647.31  127.689   0.0000   0.0000  624.204   15.115  624.204   15.115 -0.000000 0.000000 
1 1 1   -2    0   39 o  248.611   6.3293  420.491   21.259  427.935   30.288  413.262   29.846  250.789   8.9378  246.432   8.9641 -0.000000 0.000000 
1 1 1   -2    0   40 o  568.788   9.9290  2198.20   76.425  2185.88  107.951  2210.58  108.213  567.185   14.064  570.392   14.019 -0.000000 0.000000 
1 1 1   -2    0   41 o  310.427   6.8796  655.131   28.874  643.469   40.642  667.015   41.027  307.625   9.7716  313.229   9.6865 -0.000000 0.000000 
1 1 1   -2    0   42 o  778.169   12.846  4112.76  135.214  4251.72  195.526  3985.39  187.189  790.758   18.268  765.580   18.066 -0.000000 0.000000 
1 1 1   -2    0   43 o  691.084   11.634  3244.42  108.775  3144.60  151.359  3351.03  156.429  680.083   16.445  702.086   16.462 -0.000000 0.000000 
1 1 1   -2    0   44 o  228.128   6.3645  354.228   19.595  361.050   28.276  347.925   27.181  230.237   9.0950  226.018   8.9057 -0.000000 0.000000 
1 1 1   -2    0   45 o  1359.62   21.481 12621.82  395.261 12833.23  565.699 12420.15  552.500  1370.72   30.489  1348.52   30.268 -0.000000 0.000000 
1 1 1   -2    0   46 o  281.956   6.7531  539.807   25.709  565.692   37.413  516.651   35.387  288.363   9.5982  275.549   9.5023 -0.000000 0.000000 
1 1 1   -2    0   47 o  784.942   12.982  4193.40  137.920  4207.42  195.930  4179.62  194.180  786.235   18.412  783.648   18.308 -0.000000 0.000000 
1 1 1   -2    0   48 o  134.658   9.1151  124.636   16.458   0.0000   0.0000  124.636   16.458  134.658   9.1151  134.658   9.1151 -0.000000 0.000000 
1 1 1   -2    0   50 o  508.137   13.139  1756.52   90.337  1756.52   90.337   0.0000   0.0000  508.137   13.139  508.137   13.139 -0.000000 0.000000 
1 1 1   -2    0   51 o  1019.48   16.450  7102.29  226.989  7074.11  320.522  7130.65  321.502  1017.45   23.274  1021.52   23.252 -0.000000 0.000000 
1 1 1   -2    0   52 o  467.200   8.7486  1485.20   55.296  1491.66   78.831  1478.95   77.585  468.190   12.445  466.210   12.300 -0.000000 0.000000 
1 1 1   -2    0   53 o  143.164   6.5196  141.201   12.486  132.823   17.999  148.973   17.335  138.910   9.6693  147.418   8.7480 -0.000000 0.000000 
1 1 1   -2    0   54 o  366.376   10.834  913.717   53.685  913.717   53.685   0.0000   0.0000  366.376   10.834  366.376   10.834 -0.000000 0.000000 
1 1 1   -2    0   55 o  175.503   9.2050  210.741   21.755  210.741   21.755   0.0000   0.0000  175.503   9.2050  175.503   9.2050 -0.000000 0.000000 
1 1 1   -2    0   56 o  275.579   6.8025  516.434   25.281  472.335   35.003  564.530   36.555  263.223   9.8441  287.935   9.3910 -0.000000 0.000000 
1 1 1   -2    0   57 o  370.188   7.6969  929.774   38.451  852.095   52.698  1018.21   56.229  353.650   11.020  386.727   10.748 -0.000000 0.000000 
1 1 1   -2    0   58 o   95.054   7.8072   63.581   9.6799   68.549   14.198   59.265   13.232   98.671   10.964   91.436   11.117 -0.000000 0.000000 
1 1 1   -2    0   59 o  400.156   8.0157  1091.10   43.383  1076.86   61.471  1105.22   61.237  397.531   11.432  402.782   11.239 -0.000000 0.000000 
1 1 1   -2    0   60 o  572.502   10.167  2236.59   78.752  2190.29  110.542  2284.30  112.223  566.463   14.421  578.541   14.334 -0.000000 0.000000 
1 1 1   -2    0   61 o  159.112   6.6105  173.589   14.128  176.671   20.491  170.797   19.505  160.438   9.5012  157.787   9.1935 -0.000000 0.000000 
1 1 1   -2    0   62 o  326.040   7.3041  724.736   32.191  723.814   46.012  725.619   45.052  325.814   10.446  326.266   10.212 -0.000000 0.000000 
1 1 1   -2    0   63 o   90.656   8.2761   58.287   9.6671   62.951   14.408   54.468   13.038   94.046   11.810   87.266   11.597 -0.000000 0.000000 
1 1 1   -2    0   64 o  138.945   9.3804  132.965   17.477   0.0000   0.0000  132.965   17.477  138.945   9.3804  138.945   9.3804 -0.000000 0.000000 
1 1 1   -2    0   65 o  240.455   9.3380  394.724   30.323   0.0000   0.0000  394.724   30.323  240.455   9.3380  240.455   9.3380 -0.000000 0.000000 
1 1 1   -2    0   66 o  223.676   6.7075  342.258   20.218  321.397   28.588  363.133   28.597  216.755   9.7779  230.598   9.1845 -0.000000 0.000000 
1 1 1   -2    0   67 o  160.926   6.8120  178.600   14.640  156.564   20.667  200.795   20.741  150.677   10.230  171.176   8.9982 -0.000000 0.000000 
1 1 1   -2    0   68 o  186.615   6.8050  239.095   17.075  229.381   24.507  248.261   23.805  182.820   9.9594  190.411   9.2758 -0.000000 0.000000 
1 1 1   -2    0   69 o  206.747   9.7181  292.698   27.090  292.698   27.090   0.0000   0.0000  206.747   9.7181  206.747   9.7181 -0.000000 0.000000 
1 1 1   -2    0   70 o  179.991   9.8437  222.423   23.846  222.423   23.846   0.0000   0.0000  179.991   9.8437  179.991   9.8437 -0.000000 0.000000 
1 1 1   -2    0   71 o  180.568   6.8510  224.112   16.626  211.331   23.624  236.654   23.402  175.336   10.017  185.800   9.3486 -0.000000 0.000000 
1 1 1   -2    0   72 o  196.353   6.8094  264.084   18.006  271.297   26.079  257.513   24.892  198.907   9.7283  193.799   9.5307 -0.000000 0.000000 
1 1 1   -2    0   73 o  214.526   6.7945  314.534   19.637  333.090   28.623  298.034   26.991  220.522   9.6198  208.531   9.5978 -0.000000 0.000000 
1 1 1   -2    0   74 o  153.221   7.0733  161.532   14.514  175.419   21.187  149.253   19.923  159.515   9.8887  146.927   10.116 -0.000000 0.000000 
1 1 1   -2    0   75 o  200.388   6.8269  274.576   18.402  296.780   27.043  255.428   25.112  207.956   9.6433  192.820   9.6660 -0.000000 0.000000 
1 1 1   -2    0   76 o  359.969   7.8099  888.878   38.006  864.645   53.715  913.170   53.781  354.984   11.191  364.954   10.896 -0.000000 0.000000 
1 1 1   -2    0   77 o  236.789   6.8802  385.187   21.975  376.457   31.464  393.500   30.705  234.081   9.9598  239.496   9.4947 -0.000000 0.000000 
1 1 1   -2    0   78 o  292.281   7.2865  581.964   28.649  643.262   43.053  533.248   38.381  305.984   10.410  278.577   10.198 -0.000000 0.000000 
1 1 1   -2    0   79 o  151.422   9.6676  158.812   19.652   0.0000   0.0000  158.812   19.652  151.422   9.6676  151.422   9.6676 -0.000000 0.000000 
1 1 1   -2    0   80 o  173.056   6.8567  207.367   15.945  200.905   22.865  213.484   22.246  170.299   9.9863  175.814   9.3985 -0.000000 0.000000 
1 1 1   -2    0   81 o  129.096   7.3382  116.610   12.637  119.743   18.316  113.764   17.457  130.732   10.494  127.460   10.260 -0.000000 0.000000 
1 1 1   -2    0   82 o  251.028   7.0868  432.266   23.920  487.531   35.582  386.700   32.309  265.673   9.9147  236.383   10.129 -0.000000 0.000000 
1 1 1   -2    0   83 o  141.522   10.488  140.478   19.860  140.478   19.860   0.0000   0.0000  141.522   10.488  141.522   10.488 -0.000000 0.000000 
1 1 1   -2    0   84 o  151.771   7.1993  161.275   14.639  170.332   20.850  152.469   20.558  156.139   9.9464  147.404   10.411 -0.000000 0.000000 
1 1 1   -2    0   85 o  123.946   7.5894  109.440   12.433   96.855   17.681  121.751   17.487  116.324   11.473  131.567   9.9384 -0.000000 0.000000 
1 1 1   -2    0   86 o   57.240   12.261   30.302   8.9252   19.369   12.884   40.387   12.375   42.460   19.942   72.020   14.269 -0.000000 0.000000 
1 1 1   -2    0   87 o   32.491   12.267   10.083   7.7266   16.726   11.600   4.7858   10.359   39.327   18.870   25.655   15.679 -0.000000 0.000000 
1 1 1   -2    0   88 o   73.606   10.519   42.571   9.2618   47.364   13.624   38.453   12.628   78.208   14.258   69.004   15.468 -0.000000 0.000000 
1 1 1   -2    0   89 o   26.834   11.140   4.4665   7.7051  -4.7115   11.393   12.203   10.460   20.289   13.772   33.379   17.513 -0.000000 0.000000 
1 1 1   -2    0   90 f   32.020   12.520   10.179   8.1193   15.753   12.256   5.8193   10.839   37.410   19.126   26.631   16.163 -0.000000 0.000000 
1 1 1   -2    0   91 o   22.478   14.445   1.4569   10.053   0.0000   0.0000   1.4569   10.053   22.478   14.445   22.478   14.445 -0.000000 0.000000 
1 1 1   -2    0   92 o   57.047   18.042   29.879   12.265   0.0000   0.0000   29.879   12.265   57.047   18.042   57.047   18.042 -0.000000 0.000000 
1 1 1   -2    0   93 o   26.154   15.987   5.5817   10.775   0.0000   0.0000   5.5817   10.775   26.154   15.987   26.154   15.987 -0.000000 0.000000 
1 1 1   -2    0   94 o   30.148   17.386   9.6945   11.445   0.0000   0.0000   9.6945   11.445   30.148   17.386   30.148   17.386 -0.000000 0.000000 
1 1 1   -2    1    1 o  107.440   7.5575   85.408   8.4849   0.8147   10.780  223.171   13.756   33.407   14.042  181.473   5.5938 -148.0660 15.11491 
1 1 1   -2    1    2 o   51.921   6.4691   18.269   4.5516   0.0000   0.0000   18.269   4.5516  ?   ?    51.921   6.4691      ?      ? 
1 1 1   -2    1    4 o  701.145   11.546  3333.00  109.700  3333.00  109.700   0.0000   0.0000  701.145   11.546  ?   ?       ?      ? 
1 1 1   -2    1    5 o  673.885   7.9039  3072.13   72.099  3228.34  104.991  2932.73   99.182  690.059   11.228  657.711   11.128 32.34753 15.80790 
1 1 1   -2    1    6 o  993.662   11.195  6689.07  150.636  6471.09  208.179  6928.63  218.241  976.700   15.729  1010.62   15.935 -33.92432 22.39039 
1 1 1   -2    1    7 o  318.061   4.6223  684.887   19.912  658.101   27.676  713.632   28.671  311.620   6.5539  324.502   6.5198 -12.88156 9.244565 
1 1 1   -2    1    8 o  587.053   7.0520  2336.01   56.098  2314.01   78.856  2358.56   79.823  584.255   9.9598  589.851   9.9862 -5.596069 14.10400 
1 1 1   -2    1    9 o  1096.78   12.271  8161.82  182.367  8080.15  256.152  8245.76  259.698  1091.22   17.322  1102.34   17.385 -11.12048 24.54156 
1 1 1   -2    1   10 o  643.451   7.6120  2806.94   66.374  2815.31   94.060  2798.64   93.675  644.406   10.771  642.496   10.759 1.909851 15.22410 
1 1 1   -2    1   11 o  1423.07   15.719 13754.19  303.096 13578.45  424.983 13936.12  432.398  1413.83   22.182  1432.31   22.277 -18.48413 31.43731 
1 1 1   -2    1   12 o  1130.34   12.634  8669.89  193.503  8801.53  276.397  8543.34  270.992  1138.75   17.911  1121.94   17.824 16.81738 25.26859 
1 1 1   -2    1   13 f  1414.61   19.163 13592.16  345.761 13682.21  601.589 13547.74  422.519  1417.13   31.326  1412.10   22.080 5.035278 38.32564 
1 1 1   -2    1   14 o  234.162   5.7249  371.582   18.157  355.323   25.473  388.375   25.888  228.954   8.2100  239.369   7.9807 -10.41454 11.44970 
1 1 1   -2    1   15 o  442.129   6.9584  1308.50   39.076  1278.31   47.328  1373.13   69.260  434.265   8.0424  449.992   11.358 -15.72696 13.91684 
1 1 1   -2    1   16 o  2102.24   23.071 30154.95  657.239 29953.47  924.931 30360.43  934.088  2095.17   32.577  2109.31   32.679 -14.13843 46.14267 
1 1 1   -2    1   17 o  534.376   6.5739  1935.83   47.602  1958.94   67.753  1913.30   66.894  537.525   9.3014  531.226   9.2924 6.298462 13.14782 
1 1 1   -2    1   18 o  744.836   8.6495  3763.11   87.300  3802.20  124.204  3724.95  122.732  748.658   12.242  741.015   12.222 7.642456 17.29908 
1 1 1   -2    1   19 o  634.564   9.2520  2713.31   74.581  2678.21   90.560  2787.29  131.482  628.392   10.635  640.735   15.143 -12.34326 18.50406 
1 1 1   -2    1   20 o  1280.57   17.473 11115.17  284.369 10996.17  345.710 11364.14  500.056  1271.36   20.066  1289.77   28.610 -18.41638 34.94561 
1 1 1   -2    1   21 o  344.882   6.0017  802.922   26.427  817.487   46.036  795.763   32.275  347.157   9.7857  342.606   6.9516 4.550812 12.00350 
1 1 1   -2    1   22 o  413.063   5.4937  1156.97   30.751  1160.06   43.532  1153.89   43.446  413.614   7.7665  412.511   7.7720 1.102386 10.98740 
1 1 1   -2    1   23 o  233.801   4.1401  370.518   13.116  365.414   18.445  375.740   18.655  232.172   5.8626  235.430   5.8473 -3.258087 8.280185 
1 1 1   -2    1   24 o  435.054   5.6974  1283.37   33.585  1308.21   47.956  1259.46   47.049  439.185   8.0577  430.923   8.0569 8.261230 11.39476 
1 1 1   -2    1   25 o  366.718   5.1206  911.788   25.444  895.916   35.713  928.150   36.260  363.477   7.2506  369.959   7.2326 -6.481812 10.24113 
1 1 1   -2    1   26 o  367.875   5.1391  917.674   25.618  927.593   36.385  907.924   36.077  369.847   7.2597  365.904   7.2758 3.942871 10.27813 
1 1 1   -2    1   27 o  191.737   3.9903  249.212   10.368  252.056   14.691  246.391   14.634  192.827   5.6220  190.648   5.6642 2.179718 7.980598 
1 1 1   -2    1   28 o  271.642   4.4393  500.242   16.341  497.818   23.053  502.690   23.168  270.981   6.2778  272.304   6.2783 -1.322937 8.878545 
1 1 1   -2    1   29 o  402.759   5.4519  1099.94   29.756  1103.29   42.115  1096.61   42.048  403.370   7.7046  402.148   7.7157 1.221954 10.90376 
1 1 1   -2    1   30 o  720.490   8.4428  3522.98   82.432  3529.04  116.674  3516.95  116.479  721.108   11.940  719.872   11.940 1.236145 16.88553 
1 1 1   -2    1   31 o  1296.10   17.706 11493.25  294.034 11335.29  504.248 11574.63  361.936  1287.97   28.891  1304.23   20.478 -16.25879 35.41228 
1 1 1   -2    1   32 o  525.832   8.0251  1869.72   53.847  1858.05   65.770  1893.45   93.778  523.455   9.2718  528.209   13.101 -4.753723 16.05024 
1 1 1   -2    1   33 o  570.149   8.5352  2188.80   61.921  2157.90   75.282  2253.42  108.873  564.098   9.8482  576.201   13.943 -12.10223 17.07041 
1 1 1   -2    1   34 o  960.779   10.915  6265.00  142.084  6387.20  203.361  6148.46  198.597  969.924   15.472  951.633   15.400 18.29089 21.82986 
1 1 1   -2    1   35 o  990.909   11.220  6666.98  150.656  6642.97  212.487  6691.24  213.639  989.117   15.853  992.701   15.881 -3.583679 22.43908 
1 1 1   -2    1   36 o  839.851   9.6631  4785.94  109.966  4728.33  154.255  4845.48  156.809  834.715   13.637  844.987   13.694 -10.27161 19.32612 
1 1 1   -2    1   37 f  735.317   10.559  3656.36   98.822  3629.51  120.380  3711.84  173.056  731.431   12.145  739.203   17.276 -7.771545 21.11772 
1 1 1   -2    1   38 o  384.650   6.5859  1003.51   32.414  1002.54   55.956  1004.01   39.766  384.461   10.740  384.839   7.6252 -0.3778687 13.17179 
1 1 1   -2    1   39 o  321.215   6.0144  702.232   24.732  691.453   42.496  707.753   30.413  319.307   9.8210  323.122   6.9455 -3.814606 12.02880 
1 1 1   -2    1   40 o  297.371   4.7534  599.445   19.155  599.662   27.020  599.224   27.159  297.426   6.7039  297.317   6.7409 0.1093140 9.506884 
1 1 1   -2    1   41 o  252.483   4.5031  432.131   15.406  436.814   21.795  427.455   21.781  253.850   6.3358  251.115   6.4006 2.735474 9.006105 
1 1 1   -2    1   42 o  456.748   6.0126  1413.29   37.196  1365.65   51.639  1464.66   53.623  448.757   8.4916  464.739   8.5146 -15.98199 12.02515 
1 1 1   -2    1   43 o  326.366   5.0099  721.939   22.154  707.300   31.013  737.192   31.657  322.989   7.0856  329.743   7.0845 -6.754425 10.01978 
1 1 1   -2    1   44 o  756.601   10.900  3951.86  106.686  4108.38  133.900  3679.77  176.546  777.826   12.703  735.375   17.716 42.45129 21.79976 
1 1 1   -2    1   45 o  888.332   12.540  5412.08  143.167  5239.38  242.842  5504.08  177.246  876.732   20.440  899.932   14.534 -23.20013 25.08017 
1 1 1   -2    1   46 o  309.066   4.9133  647.310   20.571  625.984   28.709  669.815   29.492  303.836   6.9726  314.295   6.9244 -10.45901 9.826687 
1 1 1   -2    1   47 o  475.639   6.2190  1534.82   40.083  1547.88   57.003  1522.04   56.375  477.640   8.8067  473.638   8.7833 4.002136 12.43802 
1 1 1   -2    1   48 o  278.960   5.8277  537.410   20.911  496.877   34.967  559.976   26.091  270.564   9.5370  287.357   6.7002 -16.79291 11.65531 
1 1 1   -2    1   49 o  289.457   5.8182  562.319   21.531  550.257   26.254  587.092   37.626  284.834   6.8017  294.079   9.4415 -9.244995 11.63638 
1 1 1   -2    1   50 o  207.779   5.4041  289.098   14.388  281.504   17.566  304.578   25.080  203.731   6.3626  211.827   8.7369 -8.095764 10.80813 
1 1 1   -2    1   52 o  394.271   5.5812  1055.14   29.819  1045.43   42.044  1064.97   42.299  392.444   7.9057  396.098   7.8803 -3.654144 11.16242 
1 1 1   -2    1   53 o  457.440   8.6216  1424.40   53.439  1417.05   74.943  1432.01   76.221  456.251   12.121  458.629   12.264 -2.378143 17.24315 
1 1 1   -2    1   54 o  249.934   5.7551  429.025   18.342  438.876   22.561  409.816   31.503  254.315   6.5463  245.552   9.4673 8.762665 11.51018 
1 1 1   -2    1   55 o  319.293   6.1729  688.025   25.093  706.501   44.038  679.143   30.535  322.293   10.083  316.293   7.1239 5.999847 12.34584 
1 1 1   -2    1   56 o  306.012   4.9668  635.686   20.595  642.793   29.337  628.779   28.920  307.698   7.0358  304.327   7.0125 3.370667 9.933671 
1 1 1   -2    1   57 o  609.191   7.4864  2526.65   61.801  2508.35   86.952  2545.33   87.853  606.967   10.571  611.416   10.603 -4.448914 14.97280 
1 1 1   -2    1   58 o  232.153   4.6041  365.916   14.483  370.882   20.475  360.943   20.490  233.732   6.4642  230.573   6.5578 3.159622 9.208160 
1 1 1   -2    1   59 o  265.643   4.7559  478.776   17.112  460.365   23.813  498.437   24.607  260.365   6.7491  270.921   6.7025 -10.55624 9.511808 
1 1 1   -2    1   60 o  274.250   4.8095  510.801   17.872  521.364   25.425  500.483   25.128  277.055   6.7719  271.444   6.8312 5.610474 9.618970 
1 1 1   -2    1   61 o  287.838   4.8927  562.882   19.084  568.770   27.042  557.041   26.936  289.340   6.8967  286.336   6.9417 3.004059 9.785302 
1 1 1   -2    1   62 o  109.776   5.0464   81.960   7.4957   87.530   10.634   76.460   10.567  113.496   6.9141  106.057   7.3526 7.439156 10.09286 
1 1 1   -2    1   63 o   85.404   6.7789   49.720   7.5088   49.674   12.591   49.745   9.3542   85.301   10.892   85.507   8.0728 -0.2054443 13.55774 
1 1 1   -2    1   64 o  142.429   5.7955  140.449   10.628  130.156   17.741  146.210   13.273  138.181   9.4741  146.677   6.6776 -8.495972 11.59093 
1 1 1   -2    1   65 o  237.754   5.8059  393.016   17.720  412.477   22.116  358.117   29.615  246.348   6.6248  229.161   9.5366 17.18715 11.61185 
1 1 1   -2    1   66 o  647.211   7.9438  2863.20   69.647  2799.01   96.942  2931.67  100.128  639.747   11.182  654.675   11.286 -14.92871 15.88759 
1 1 1   -2    1   67 o  216.637   4.6989  319.096   13.794  321.049   19.515  317.145   19.502  217.302   6.6270  215.972   6.6634 1.329422 9.397730 
1 1 1   -2    1   68 o  147.941   10.159  149.555   20.368   0.0000   0.0000  149.555   20.368  ?   ?   147.941   10.159      ?      ? 
1 1 1   -2    1   69 o  218.290   5.9014  325.546   16.409  327.006   20.068  322.600   28.506  219.255   6.7541  217.324   9.6793 1.930389 11.80285 
1 1 1   -2    1   70 o  157.889   6.1726  175.276   12.189  156.043   21.271  184.679   14.873  151.015   10.394  164.762   6.6611 -13.74712 12.34528 
1 1 1   -2    1   71 o  182.505   5.8773  224.646   13.587  234.383   24.161  220.142   16.431  185.156   9.6292  179.853   6.7415 5.303207 11.75458 
1 1 1   -2    1   72 o  164.937   4.7820  185.215   10.688  184.967   15.183  185.457   15.048  164.824   6.7976  165.051   6.7278 -0.2262115 9.564008 
1 1 1   -2    1   73 o  148.136   4.8938  149.519   9.8195  143.763   13.842  155.351   13.932  145.252   7.0322  151.020   6.8077 -5.767426 9.787604 
1 1 1   -2    1   74 o  181.063   4.8143  223.188   11.787  203.330   16.387  244.473   16.966  172.698   7.0021  189.429   6.6091 -16.73111 9.628591 
1 1 1   -2    1   75 o  372.077   5.5807  946.225   28.138  941.494   39.712  950.996   39.877  371.141   7.8958  373.012   7.8888 -1.871033 11.16140 
1 1 1   -2    1   76 o  295.792   5.0927  597.653   20.413  599.883   28.914  595.436   28.825  296.343   7.1998  295.241   7.2045 1.102051 10.18540 
1 1 1   -2    1   77 o  291.681   5.0863  581.599   20.103  589.983   28.676  573.496   28.190  293.744   7.2038  289.619   7.1825 4.125702 10.17267 
1 1 1   -2    1   78 o  188.508   5.7665  239.632   13.931  257.177   24.351  231.096   16.985  193.179   9.3019  183.838   6.8180 9.340881 11.53298 
1 1 1   -2    1   79 o  227.427   5.7809  346.662   16.919  328.275   20.648  384.239   29.517  218.939   6.9593  235.916   9.2328 -16.97723 11.56189 
1 1 1   -2    1   80 o   87.530   7.1594   51.956   8.2034   48.546   10.208   58.173   13.783   83.805   8.9888   91.255   11.146 -7.450462 14.31889 
1 1 1   -2    1   81 o  332.115   5.3700  758.384   24.150  722.245   33.479  797.589   34.871  323.854   7.6286  340.376   7.5600 -16.52206 10.74004 
1 1 1   -2    1   82 o  192.174   6.0507  256.717   14.697  258.037   17.865  253.956   25.848  193.738   6.8048  190.610   10.007 3.127319 12.10142 
1 1 1   -2    1   83 o  140.098   5.0941  135.444   9.6677  135.966   13.509  134.897   13.842  140.411   7.0996  139.785   7.3071 0.6255798 10.18810 
1 1 1   -2    1   84 o  180.772   5.9819  227.948   13.798  226.837   23.854  228.507   16.915  179.588   9.8018  181.956   6.8600 -2.368118 11.96389 
1 1 1   -2    1   85 o  164.364   4.8814  186.931   10.870  185.109   15.493  188.697   15.255  163.531   6.9910  165.196   6.8145 -1.664688 9.762780 
1 1 1   -2    1   86 o  139.357   5.0111  134.699   9.4574  141.470   13.595  128.349   13.165  142.775   7.0266  135.938   7.1465 6.837326 10.02225 
1 1 1   -2    1   87 o   63.147   7.5380   29.327   6.2238   24.700   8.9135   33.729   8.6942   57.341   11.862   68.953   9.3045 -11.61211 15.07605 
1 1 1   -2    1   88 o   86.328   5.9589   52.646   6.9535   48.100   9.7626   57.328   9.9063   82.411   8.7418   90.246   8.1003 -7.835327 11.91784 
1 1 1   -2    1   89 f   86.503   5.9975   53.035   7.0059   47.547   9.7934   58.788   10.026   81.755   8.8397   91.252   8.1081 -9.496544 11.99506 
1 1 1   -2    1   90 o   77.706   7.7596   43.873   7.7517   45.548   13.279   43.007   9.5474   77.895   12.579   77.516   9.0888 0.3787613 15.51922 
1 1 1   -2    1   91 o   58.895   9.4695   25.721   7.0819   33.555   12.325   21.860   8.6530   64.710   14.423   53.080   12.274 11.63021 18.93908 
1 1 1   -2    1   92 o   45.047   9.9363   14.013   7.9680   28.059   11.371   0.4626   11.169   58.852   14.380   31.242   13.716 27.60979 19.87261 
1 1 1   -2    1   93 o   32.003   9.5198   1.5736   7.5081   9.2471   10.458  -6.5880   10.786   37.454   14.487   26.552   12.355 10.90200 19.03955 
1 1 1   -2    1   94 o   44.043   15.864   15.598   12.095   15.598   12.095   0.0000   0.0000   44.043   15.864  ?   ?       ?      ? 
1 1 1   -2    1   95 o   44.826   16.291   16.720   12.795   16.720   12.795   0.0000   0.0000   44.826   16.291  ?   ?       ?      ? 
1 1 1   -2    2    1 o  1078.02   12.066  7880.09  176.210  8076.11  253.390  7696.52  245.209  1090.99   17.139  1065.05   16.990 25.93457 24.13286 
1 1 1   -2    2    2 o  2033.65   22.308 28156.20  614.786 28139.80  868.398 28172.68  870.482  2033.07   31.520  2034.24   31.577 -1.169678 44.61652 
1 1 1   -2    2    3 o  744.321   8.6383  3752.01   87.075  3629.89  120.528  3885.33  125.934  731.671   12.156  756.972   12.277 -25.30084 17.27668 
1 1 1   -2    2    4 o  311.088   4.5616  655.800   19.229  664.137   27.329  647.626   27.062  313.046   6.4422  309.130   6.4600 3.915833 9.123256 
1 1 1   -2    2    5 o  849.256   9.6882  4889.36  111.472  4796.73  155.656  4986.90  159.714  841.003   13.658  857.508   13.744 -16.50421 19.37638 
1 1 1   -2    2    6 o  234.541   4.0111  372.785   12.749  371.583   18.016  373.991   18.043  234.162   5.6776  234.920   5.6676 -0.7574005 8.022290 
1 1 1   -2    2    7 o  1180.65   13.151  9460.99  210.406  9503.16  298.601  9419.41  296.528  1183.26   18.622  1178.04   18.575 5.219971 26.30220 
1 1 1   -2    2    8 o  604.105   7.2246  2473.63   59.139  2508.52   84.310  2439.83   82.975  608.297   10.228  599.912   10.207 8.385681 14.44921 
1 1 1   -2    2    9 o  962.542   10.858  6285.23  141.625  6307.30  200.743  6263.37  199.836  964.223   15.363  960.860   15.347 3.362305 21.71555 
1 1 1   -2    2   10 o  725.710   8.4351  3570.97   82.951  3600.83  117.896  3541.69  116.734  728.715   11.939  722.706   11.919 6.008423 16.87021 
1 1 1   -2    2   11 o  340.397   9.7222  785.516   44.847  785.516   44.847   0.0000   0.0000  340.397   9.7222  ?   ?       ?      ? 
1 1 1   -2    2   12 o  533.966   8.0427  1923.49   54.671  1962.00   95.827  1904.90   66.569  537.841   13.148  530.091   9.2669 7.749573 16.08533 
1 1 1   -2    2   13 o  271.554   5.2615  500.342   18.314  501.441   22.518  498.194   31.478  272.009   6.1089  271.098   8.5683 0.9118347 10.52304 
1 1 1   -2    2   14 o  664.859   9.6067  3020.54   82.088  3069.26  101.586  2928.86  139.347  672.771   11.142  656.948   15.653 15.82269 19.21343 
1 1 1   -2    2   15 o  1425.61   15.758 13817.52  304.422 13897.46  432.203 13738.83  428.852  1429.70   22.308  1421.53   22.262 8.172974 31.51592 
1 1 1   -2    2   16 f  976.223   11.034  6468.93  145.965  6443.46  205.859  6494.68  206.999  974.292   15.592  978.154   15.616 -3.861938 22.06748 
1 1 1   -2    2   17 o  555.767   6.8028  2094.33   51.234  2079.38   72.141  2109.54   72.774  553.767   9.6133  557.768   9.6280 -4.000977 13.60569 
1 1 1   -2    2   18 o  1001.26   13.852  6819.57  177.148  6826.23  216.991  6806.25  306.746  1002.57   15.971  999.948   22.637 2.624329 27.70419 
1 1 1   -2    2   19 f  478.958   6.0809  1555.16   39.463  1531.06   55.290  1580.19   56.344  475.176   8.5864  482.740   8.6129 -7.563538 12.16171 
1 1 1   -2    2   20 o  754.837   10.756  3892.51  104.245  3803.25  177.640  3939.39  128.744  747.867   17.528  761.807   12.471 -13.93921 21.51177 
1 1 1   -2    2   21 o  332.705   9.6162  750.920   43.356  750.920   43.356   0.0000   0.0000  332.705   9.6162  ?   ?       ?      ? 
1 1 1   -2    2   22 o  658.588   7.8064  2942.55   69.653  2879.83   97.184  3008.80   99.880  651.378   11.010  665.798   11.070 -14.41956 15.61289 
1 1 1   -2    2   23 o  889.059   10.143  5372.15  122.200  5333.57  171.958  5411.50  173.689  885.839   14.325  892.279   14.364 -6.440491 20.28631 
1 1 1   -2    2   24 o  250.665   4.2771  425.980   14.528  430.101   20.578  421.884   20.514  251.875   6.0288  249.456   6.0685 2.418442 8.554175 
1 1 1   -2    2   25 o  487.162   6.1984  1609.64   40.916  1639.61   58.356  1580.66   57.383  491.621   8.7593  482.703   8.7725 8.919006 12.39686 
1 1 1   -2    2   26 o  408.471   5.4915  1131.19   30.392  1108.25   42.547  1155.10   43.429  404.244   7.7668  412.699   7.7655 -8.455444 10.98299 
1 1 1   -2    2   27 o  358.775   5.0894  872.558   24.740  893.063   35.308  852.779   34.677  362.915   7.1793  354.634   7.2156 8.280914 10.17878 
1 1 1   -2    2   28 o  699.090   8.2356  3316.01   78.006  3386.14  111.653  3249.15  109.028  706.305   11.665  691.875   11.629 14.43073 16.47125 
1 1 1   -2    2   29 o  402.874   6.7152  1107.75   34.661  1079.70   59.302  1122.31   42.717  398.904   10.970  406.843   7.7481 -7.938477 13.43048 
1 1 1   -2    2   30 o  1112.75   15.309  8401.78  216.979  8515.94  379.153  8346.18  264.588  1117.44   25.039  1108.06   17.621 9.372070 30.61728 
1 1 1   -2    2   31 o  412.932   5.5666  1155.87   31.147  1173.73   44.325  1138.44   43.777  416.083   7.8612  409.780   7.8834 6.302948 11.13310 
1 1 1   -2    2   32 o  810.774   9.3697  4460.64  102.940  4427.00  144.730  4495.09  146.444  807.682   13.223  813.865   13.278 -6.182922 18.73931 
1 1 1   -2    2   33 o  1322.93   18.037 11926.30  304.896 11930.14  373.595 11918.64  527.600  1324.47   20.815  1321.38   29.464 3.087280 36.07489 
1 1 1   -2    2   34 o  1062.22   11.954  7663.53  172.074  7656.56  243.162  7670.54  243.538  1061.74   16.900  1062.71   16.911 -0.9671631 23.90824 
1 1 1   -2    2   35 o  251.556   5.4826  432.412   17.569  439.250   21.545  418.836   30.356  254.571   6.2452  248.541   9.0129 6.029709 10.96516 
1 1 1   -2    2   36 o  702.104   10.191  3369.10   91.784  3419.27  113.318  3273.41  156.502  709.961   11.778  694.247   16.635 15.71429 20.38262 
1 1 1   -2    2   37 o  666.414   7.9448  3008.88   71.704  3123.18  103.585  2903.71   99.358  678.550   11.265  654.277   11.206 24.27216 15.88960 
1 1 1   -2    2   38 o  798.289   9.2504  4323.79  100.058  4266.00  140.225  4383.73  142.818  792.859   13.051  803.719   13.113 -10.86029 18.50075 
1 1 1   -2    2   39 o  349.786   7.2205  829.586   34.220  848.790   48.873  811.117   47.930  353.756   10.195  345.815   10.228 7.940918 14.44102 
1 1 1   -2    2   40 o  1067.66   17.050  7769.18  246.663  7668.30  345.927  7873.53  351.816  1060.62   24.068  1074.70   24.157 -14.07532 34.10044 
1 1 1   -2    2   41 o  1201.67   16.520  9862.73  254.049  9787.80  437.412  9900.87  312.081  1197.00   26.966  1206.34   19.090 -9.341797 33.03935 
1 1 1   -2    2   42 o  885.633   10.162  5327.84  121.963  5330.86  172.453  5324.81  172.512  885.885   14.365  885.380   14.378 0.5048828 20.32464 
1 1 1   -2    2   43 o  325.418   4.9903  717.979   22.006  714.295   31.033  721.704   31.210  324.578   7.0554  326.257   7.0592 -1.678741 9.980515 
1 1 1   -2    2   44 o  525.692   6.6446  1874.52   47.332  1900.13   67.396  1849.59   66.488  529.234   9.3973  522.149   9.3965 7.085083 13.28920 
1 1 1   -2    2   45 o  590.075   7.2465  2362.90   57.945  2374.15   82.119  2351.74   81.775  591.474   10.245  588.675   10.251 2.799133 14.49303 
1 1 1   -2    2   46 o  331.275   6.1863  752.473   26.327  719.092   44.556  770.380   32.633  325.501   10.101  337.050   7.1447 -11.54907 12.37258 
1 1 1   -2    2   47 o  887.108   12.508  5379.91  142.178  5308.35  243.849  5416.76  175.002  881.795   20.407  892.420   14.471 -10.62524 25.01664 
1 1 1   -2    2   48 o  812.661   9.4483  4489.56  104.035  4416.45  145.587  4565.86  148.720  805.909   13.331  819.414   13.393 -13.50500 18.89667 
1 1 1   -2    2   49 o  318.190   4.9791  686.766   21.469  687.141   30.322  686.389   30.403  318.278   7.0302  318.103   7.0528 0.1752930 9.958214 
1 1 1   -2    2   50 o  663.965   9.7488  2980.34   82.347  2941.53  100.142  3061.36  144.709  657.860   11.233  670.070   15.936 -12.21021 19.49755 
1 1 1   -2    2   51 o  665.899   8.0112  3009.49   72.221  2886.54   99.507  3146.36  104.985  651.565   11.270  680.232   11.389 -28.66724 16.02238 
1 1 1   -2    2   52 o  401.633   6.9298  1097.11   35.456  1099.01   43.326  1093.27   61.693  402.357   7.9461  400.908   11.356 1.449585 13.85970 
1 1 1   -2    2   53 f  431.299   5.8753  1262.59   34.330  1233.01   47.878  1293.90   49.250  426.103   8.2916  436.494   8.3262 -10.39127 11.75058 
1 1 1   -2    2   54 o  467.972   6.1874  1487.93   39.238  1492.50   55.534  1483.37   55.448  468.690   8.7435  467.253   8.7570 1.437653 12.37474 
1 1 1   -2    2   55 o  554.101   6.9790  2087.96   52.401  2110.08   74.590  2066.40   73.633  556.996   9.8820  551.205   9.8577 5.791016 13.95809 
1 1 1   -2    2   56 o  431.619   7.2751  1278.34   40.235  1235.08   68.635  1300.99   49.663  425.690   11.898  437.548   8.3758 -11.85822 14.55029 
1 1 1   -2    2   57 o  401.936   6.8939  1089.94   35.370  1127.02   61.847  1071.92   43.117  406.696   11.222  397.177   8.0109 9.519928 13.78780 
1 1 1   -2    2   58 o  270.109   6.7753  496.756   24.787  506.285   34.712  486.842   35.406  272.777   9.3905  267.442   9.7692 5.335144 13.55064 
1 1 1   -2    2   59 o  137.056   5.8182  128.167   10.064  128.966   12.208  126.473   17.781  137.812   6.5371  136.301   9.6267 1.511490 11.63646 
1 1 1   -2    2   60 o  315.492   5.0521  675.588   21.588  648.088   30.008  705.090   31.080  308.841   7.1699  322.143   7.1196 -13.30212 10.10427 
1 1 1   -2    2   61 o  311.154   5.0373  657.923   21.240  657.341   29.963  658.510   30.113  311.018   7.1092  311.291   7.1385 -0.2726746 10.07468 
1 1 1   -2    2   62 o  139.927   5.6730  132.186   10.305  136.654   17.391  129.769   12.793  141.659   9.0591  138.194   6.8310 3.465576 11.34595 
1 1 1   -2    2   63 o  301.682   5.0310  617.200   20.540  661.383   29.843  577.427   28.314  311.924   7.0601  291.440   7.1693 20.48428 10.06196 
1 1 1   -2    2   64 o  189.953   4.6143  245.198   11.878  246.111   16.784  244.281   16.812  190.309   6.5081  189.598   6.5432 0.7116852 9.228682 
1 1 1   -2    2   65 o  216.642   4.6631  319.010   13.689  319.348   19.250  318.664   19.470  216.762   6.5534  216.521   6.6357 0.2408142 9.326298 
1 1 1   -2    2   66 o  299.412   6.0511  589.840   22.987  554.316   27.608  670.122   41.504  285.473   7.1365  313.351   9.7740 -27.87857 12.10211 
1 1 1   -2    2   67 o  154.630   5.9429  161.026   11.610  157.779   14.006  168.155   20.754  152.318   6.7855  156.941   9.7585 -4.622803 11.88579 
1 1 1   -2    2   68 o  100.497   7.1926   69.203   9.0496   69.499   10.901   68.546   16.231  101.011   7.9638   99.984   11.980 1.026855 14.38518 
1 1 1   -2    2   69 o  168.611   4.7947  193.369   10.940  207.697   15.634  179.624   15.313  174.747   6.6019  162.475   6.9549 12.27219 9.589398 
1 1 1   -2    2   70 o  251.048   4.8744  428.881   16.582  435.165   23.571  422.723   23.332  252.871   6.8785  249.225   6.9084 3.645859 9.748804 
1 1 1   -2    2   71 o  260.392   6.0237  455.841   19.883  482.194   35.417  443.714   24.026  265.492   9.8443  255.292   6.9447 10.20084 12.04734 
1 1 1   -2    2   72 o  194.682   4.7790  258.024   12.607  261.905   17.963  254.257   17.698  196.124   6.7586  193.239   6.7584 2.884857 9.557957 
1 1 1   -2    2   73 o  187.660   4.8088  239.875   12.228  245.284   17.400  234.599   17.187  189.754   6.7668  185.565   6.8345 4.188812 9.617683 
1 1 1   -2    2   74 o  284.615   5.0515  552.442   19.482  544.885   27.382  560.189   27.725  282.642   7.1489  286.587   7.1389 -3.944550 10.10296 
1 1 1   -2    2   75 o   93.072   6.0302   59.342   7.6004   61.795   10.741   56.882   10.756   95.021   8.3417   91.124   8.7104 3.896660 12.06045 
1 1 1   -2    2   76 o  112.774   5.6340   86.753   8.4942  107.550   12.462   68.708   11.608  125.442   7.3312  100.106   8.5571 25.33568 11.26810 
1 1 1   -2    2   77 o  189.230   5.7981  240.200   14.080  262.305   24.636  229.477   17.159  195.222   9.3123  183.238   6.9103 11.98404 11.59622 
1 1 1   -2    2   78 o  150.409   4.9729  154.827   10.133  149.812   14.265  159.935   14.396  147.933   7.1157  152.885   6.9488 -4.952332 9.945799 
1 1 1   -2    2   79 o  200.198   4.8425  274.151   13.119  254.697   18.241  294.997   18.883  192.808   6.9815  207.588   6.7125 -14.78027 9.684929 
1 1 1   -2    2   80 o   96.406   7.2094   65.932   8.7667   68.418   10.738   60.960   15.182   99.679   7.9492   93.133   12.030 6.546539 14.41886 
1 1 1   -2    2   81 o  184.412   5.9946  228.309   13.897  217.356   16.606  253.914   25.390  177.887   6.8887  190.938   9.8125 -13.05070 11.98916 
1 1 1   -2    2   82 o  248.752   4.9380  425.927   16.643  426.642   23.353  425.190   23.725  248.999   6.9211  248.506   7.0451 0.4929352 9.875948 
1 1 1   -2    2   83 o   99.811   5.6404   69.169   7.6124   74.192   10.750   64.117   10.781  103.539   7.6618   96.084   8.2798 7.455055 11.28089 
1 1 1   -2    2   84 o   62.175   7.8136   28.249   6.2779   18.858   8.6879   38.510   9.0818   50.183   12.750   74.166   9.0361 -23.98361 15.62726 
1 1 1   -2    2   85 o  115.849   6.7179   97.657   9.8617   85.138   16.590  104.497   12.264  109.018   11.230  122.681   7.3766 -13.66319 13.43578 
1 1 1   -2    2   86 o  146.116   4.9869  148.243   9.8653  139.776   13.819  157.044   14.088  141.790   7.1920  150.441   6.9104 -8.650391 9.973889 
1 1 1   -2    2   87 o   82.309   6.2151   47.852   6.9211   44.325   9.6742   51.551   9.9056   79.111   9.0240   85.506   8.5487 -6.395363 12.43029 
1 1 1   -2    2   88 o   62.886   7.5035   28.957   6.2413   26.433   8.7346   31.590   8.9215   59.436   11.257   66.335   9.9246 -6.899391 15.00697 
1 1 1   -2    2   89 o   77.816   8.0899   45.300   7.7018   43.716   13.421   46.078   9.4044   75.085   13.695   80.547   8.6159 -5.461494 16.17978 
1 1 1   -2    2   90 o   47.272   9.9255   17.756   6.6629   16.581   11.457   18.357   8.1904   45.909   15.508   48.635   12.392 -2.725742 19.85091 
1 1 1   -2    2   91 o   46.347   9.7940   17.697   6.9266   10.774   11.318   21.842   8.7583   39.745   15.147   52.950   12.420 -13.20535 19.58794 
1 1 1   -2    2   92 o  118.224   7.6583  102.856   12.103   82.535   16.573  126.081   17.717  104.984   11.649  131.464   9.9448 -26.48007 15.31653 
1 1 1   -2    2   93 o   69.225   14.641   39.080   13.306   39.080   13.306   0.0000   0.0000   69.225   14.641  ?   ?       ?      ? 
1 1 1   -2    2   94 o   82.927   13.159   53.718   14.788   53.718   14.788   0.0000   0.0000   82.927   13.159  ?   ?       ?      ? 
1 1 1   -2    2   95 o   35.139   14.766   5.9159   11.915   5.9159   11.915   0.0000   0.0000   35.139   14.766  ?   ?       ?      ? 
1 1 1   -2    3    1 o  210.292   3.8914  299.688   11.090  299.824   15.687  299.552   15.679  210.340   5.5035  210.245   5.5031 0.9535217E-01 7.782839 
1 1 1   -2    3    2 o  663.917   7.8186  2988.56   70.343  2994.36   99.574  2982.78   99.388  664.560   11.057  663.274   11.057 1.286011 15.63715 
1 1 1   -2    3    3 o  248.596   4.1391  418.758   13.943  426.327   19.835  411.365   19.603  250.816   5.8356  246.375   5.8715 4.440720 8.278210 
1 1 1   -2    3    4 o  824.440   9.4362  4608.57  105.408  4533.65  147.505  4686.76  150.684  817.596   13.313  831.284   13.376 -13.68762 18.87243 
1 1 1   -2    3    5 o  774.115   10.327  4117.67   94.813  4175.49  110.486  3956.15  184.675  784.781   10.389  763.449   17.850 21.33197 20.65351 
1 1 1   -2    3    6 o  445.973   5.7544  1347.62   34.771  1378.45   49.727  1318.13   48.638  450.961   8.1371  440.984   8.1390 9.977356 11.50888 
1 1 1   -2    3    7 o  406.465   5.4031  1119.67   29.759  1105.62   41.824  1134.09   42.352  403.882   7.6417  409.049   7.6405 -5.167297 10.80617 
1 1 1   -2    3    8 o  134.722   3.5842  123.000   6.5432  124.758   9.2630  121.249   9.2440  135.683   5.0378  133.761   5.0998 1.921768 7.168494 
1 1 1   -2    3    9 o  498.876   8.8206  1687.58   59.625  1654.76   83.721  1721.37   84.936  493.953   12.507  503.800   12.441 -9.846252 17.64120 
1 1 1   -2    3   10 o  230.019   4.9054  356.795   14.488  353.027   17.791  364.215   24.966  228.235   5.7521  231.802   7.9477 -3.566757 9.810871 
1 1 1   -2    3   11 o  250.072   5.0844  424.202   16.319  424.915   20.090  422.819   27.981  250.395   5.9206  249.749   8.2674 0.6455383 10.16877 
1 1 1   -2    3   12 o  663.107   11.075  2981.85   99.522  2981.85   99.522   0.0000   0.0000  663.107   11.075  ?   ?       ?      ? 
1 1 1   -2    3   13 o  1243.40   13.823 10504.15  232.902 10581.57  330.989 10428.22  327.780  1247.94   19.572  1238.87   19.524 9.067505 27.64537 
1 1 1   -2    3   14 o  302.665   4.5853  620.802   18.805  610.873   26.414  631.007   26.779  300.212   6.4926  305.119   6.4766 -4.907440 9.170644 
1 1 1   -2    3   15 f  1769.08   19.488 21328.38  467.041 20840.85  650.076 21848.46  671.433  1748.25   27.440  1789.91   27.681 -41.66321 38.97683 
1 1 1   -2    3   16 o  635.118   9.2779  2718.23   74.853  2682.90   90.885  2792.71  131.973  628.921   10.664  641.315   15.186 -12.39301 18.55589 
1 1 1   -2    3   17 o  698.306   8.1993  3307.60   77.576  3248.11  108.500  3369.81  110.960  691.886   11.572  704.725   11.619 -12.83899 16.39854 
1 1 1   -2    3   18 o  453.937   5.8628  1397.24   36.064  1408.79   51.197  1385.88   50.810  455.798   8.2887  452.076   8.2938 3.721985 11.72564 
1 1 1   -2    3   19 o  257.426   5.1824  439.215   17.044  479.278   30.119  420.341   20.673  265.841   8.3606  249.012   6.1263 16.82944 10.36486 
1 1 1   -2    3   20 o  383.454   6.4475  1007.90   31.795  963.644   53.696  1031.79   39.457  376.831   10.515  390.077   7.4642 -13.24609 12.89500 
1 1 1   -2    3   21 o  519.063   6.4868  1827.79   45.627  1839.94   64.740  1815.80   64.316  520.776   9.1736  517.349   9.1738 3.427185 12.97361 
1 1 1   -2    3   22 o  256.785   4.3237  447.036   15.045  449.765   21.312  444.326   21.243  257.567   6.1060  256.004   6.1232 1.562683 8.647416 
1 1 1   -2    3   23 o  226.807   4.1501  348.735   12.755  347.304   18.004  350.178   18.074  226.339   5.8697  227.274   5.8685 -0.9346313 8.300200 
1 1 1   -2    3   24 o  524.523   6.5332  1866.25   46.433  1838.31   65.108  1895.17   66.239  520.529   9.2301  528.518   9.2485 -7.988708 13.06633 
1 1 1   -2    3   25 o  649.201   7.7419  2860.64   68.108  2839.38   95.888  2882.28   96.757  646.768   10.940  651.634   10.957 -4.865662 15.48388 
1 1 1   -2    3   26 o  1285.56   14.325 11258.65  249.521 11414.99  356.142 11107.92  349.699  1294.31   20.305  1276.81   20.211 17.49438 28.64905 
1 1 1   -2    3   27 o  414.508   5.5831  1164.30   31.351  1198.95   45.031  1131.70   43.673  420.489   7.9026  408.527   7.8888 11.96255 11.16625 
1 1 1   -2    3   28 o  844.541   11.896  4838.62  128.137  4876.38  223.051  4820.01  156.547  846.546   19.443  842.537   13.711 4.009216 23.79154 
1 1 1   -2    3   29 o  275.760   4.5221  515.396   16.898  508.909   23.740  522.057   24.057  274.002   6.3935  277.519   6.3969 -3.516754 9.044187 
1 1 1   -2    3   30 o  1067.06   12.003  7734.56  173.551  7651.50  243.596  7820.19  247.323  1061.25   16.938  1072.87   17.011 -11.62195 24.00595 
1 1 1   -2    3   31 o  679.567   8.0552  3132.67   74.181  3130.63  104.771  3134.72  105.044  679.346   11.381  679.787   11.403 -0.4418945 16.11049 
1 1 1   -2    3   32 o  816.729   11.546  4558.23  121.106  4620.29  149.663  4440.50  206.124  825.137   13.385  808.320   18.818 16.81696 23.09216 
1 1 1   -2    3   33 o  628.340   9.2215  2662.24   73.773  2630.79   89.794  2727.55  129.403  622.817   10.639  633.863   15.065 -11.04663 18.44298 
1 1 1   -2    3   34 o  422.402   6.9887  1198.66   37.404  1178.72   45.268  1241.55   66.405  416.978   8.0112  427.826   11.454 -10.84787 13.97743 
1 1 1   -2    3   35 o  352.341   6.2144  826.252   27.881  798.137   33.770  886.460   49.417  343.135   7.2624  361.547   10.086 -18.41260 12.42877 
1 1 1   -2    3   36 f  508.539   7.9023  1764.72   51.602  1720.92   87.892  1787.75   63.744  503.604   12.879  513.473   9.1609 -9.868988 15.80468 
1 1 1   -2    3   37 o  487.746   6.2770  1611.12   41.463  1553.57   57.449  1673.68   59.902  478.668   8.8566  496.824   8.8973 -18.15637 12.55392 
1 1 1   -2    3   38 o  459.108   6.0178  1428.87   37.436  1456.60   53.381  1402.03   52.514  463.491   8.4988  454.725   8.5221 8.766418 12.03563 
1 1 1   -2    3   39 o  358.858   6.3484  863.312   29.016  902.336   51.103  844.745   35.249  364.725   10.340  352.991   7.3689 11.73431 12.69676 
1 1 1   -2    3   40 o  317.182   6.0228  682.487   24.462  681.395   42.159  683.042   30.034  316.949   9.8155  317.416   6.9824 -0.4672546 12.04569 
1 1 1   -2    3   41 o  1237.15   13.830 10418.35  231.868 10399.88  327.383 10436.94  328.442  1236.06   19.545  1238.25   19.573 -2.191895 27.66088 
1 1 1   -2    3   42 o  320.138   4.9522  694.874   21.484  694.922   30.345  694.825   30.421  320.149   6.9945  320.127   7.0124 0.2273560E-01 9.904315 
1 1 1   -2    3   43 o  1033.69   11.696  7267.18  163.838  7305.06  232.465  7229.80  230.946  1036.37   16.552  1031.02   16.530 5.346436 23.39250 
1 1 1   -2    3   44 o  375.938   7.6148  958.425   38.793  958.425   38.793   0.0000   0.0000  375.938   7.6148  ?   ?       ?      ? 
1 1 1   -2    3   45 o  183.842   8.6130  229.277   21.458  229.277   21.458   0.0000   0.0000  183.842   8.6130  ?   ?       ?      ? 
1 1 1   -2    3   46 o  582.537   7.1777  2303.27   56.658  2280.25   79.589  2326.94   80.676  579.587   10.133  585.487   10.168 -5.900269 14.35539 
1 1 1   -2    3   47 o  658.917   7.9153  2949.04   70.678  2943.63   99.782  2954.49  100.125  658.312   11.185  659.522   11.203 -1.209900 15.83068 
1 1 1   -2    3   48 o  715.165   8.4738  3475.45   82.111  3423.41  114.938  3529.68  117.345  709.706   11.951  720.625   12.016 -10.91901 16.94754 
1 1 1   -2    3   49 o  453.582   6.0325  1396.46   37.080  1398.77   52.383  1394.14   52.494  453.960   8.5152  453.205   8.5473 0.7547607 12.06500 
1 1 1   -2    3   50 o  393.023   6.7420  1023.35   33.473  980.735   40.183  1119.95   60.499  380.143   7.8004  405.903   10.999 -25.76028 13.48395 
1 1 1   -2    3   51 o  408.496   8.0103  1132.78   44.342  1132.78   44.342   0.0000   0.0000  408.496   8.0103  ?   ?       ?      ? 
1 1 1   -2    3   52 o  636.342   7.7220  2754.20   66.589  2762.16   94.245  2746.26   94.096  637.262   10.913  635.422   10.928 1.839905 15.44390 
1 1 1   -2    3   53 o  190.517   4.4414  246.283   11.466  247.632   16.177  244.920   16.254  191.043   6.2488  189.991   6.3131 1.051483 8.882710 
1 1 1   -2    3   54 o  394.397   5.5747  1056.37   29.794  1070.10   42.293  1042.85   41.977  396.942   7.8625  391.852   7.9052 5.090210 11.14946 
1 1 1   -2    3   55 o  278.627   4.7931  526.952   18.096  535.815   25.717  518.260   25.469  280.950   6.7548  276.305   6.8019 4.644440 9.586102 
1 1 1   -2    3   56 o  230.628   5.6401  361.522   16.606  361.009   28.789  361.778   20.329  230.398   9.2206  230.858   6.4981 -0.4598846 11.28029 
1 1 1   -2    3   57 o  257.587   4.7298  449.630   16.490  481.728   23.872  420.339   22.805  266.368   6.6134  248.806   6.7637 17.56207 9.459671 
1 1 1   -2    3   58 o  518.540   6.6635  1828.59   46.807  1887.86   67.251  1772.90   65.187  526.684   9.4225  510.395   9.4247 16.28925 13.32704 
1 1 1   -2    3   59 o  214.844   6.4887  313.452   18.891  313.452   18.891   0.0000   0.0000  214.844   6.4887  ?   ?       ?      ? 
1 1 1   -2    3   60 o  427.890   5.8902  1245.38   34.154  1237.04   48.131  1253.83   48.472  426.448   8.3287  429.332   8.3313 -2.883942 11.78040 
1 1 1   -2    3   61 o  101.922   6.3062   71.853   8.2542   67.059   13.881   74.476   10.266   99.167   10.329  104.677   7.2375 -5.509491 12.61245 
1 1 1   -2    3   62 o  100.498   7.5044   68.957   10.194   69.439   13.955   68.407   14.927  100.901   10.206  100.095   11.005 0.8060226 15.00878 
1 1 1   -2    3   63 o  174.775   5.7494  207.138   12.726  205.788   15.435  210.003   22.489  174.025   6.5449  175.525   9.4545 -1.500244 11.49886 
1 1 1   -2    3   64 o  362.136   5.4130  891.885   26.558  918.440   37.969  866.448   37.160  367.417   7.6258  356.855   7.6843 10.56229 10.82594 
1 1 1   -2    3   65 o  227.900   4.7058  353.086   14.529  364.760   20.621  341.579   20.473  231.650   6.5689  224.149   6.7400 7.500793 9.411607 
1 1 1   -2    3   66 o  289.370   7.0327  569.548   27.578  569.548   27.578   0.0000   0.0000  289.370   7.0327  ?   ?       ?      ? 
1 1 1   -2    3   67 o  208.017   6.0496  309.476   15.984  346.505   20.198  247.425   26.146  225.739   6.6025  190.296   10.139 35.44316 12.09927 
1 1 1   -2    3   68 o  163.571   4.8091  181.837   10.634  165.028   14.794  199.809   15.297  155.737   7.0098  171.406   6.5857 -15.66922 9.618156 
1 1 1   -2    3   69 o  317.841   5.1837  687.653   22.324  676.501   31.282  699.227   31.869  315.217   7.3233  320.465   7.3384 -5.247589 10.36737 
1 1 1   -2    3   70 o  165.355   4.8070  185.843   10.750  202.941   15.490  169.958   14.931  172.701   6.6188  158.009   6.9729 14.69243 9.614075 
1 1 1   -2    3   71 o   89.867   7.6328   56.374   8.6584   52.551   15.042   58.268   10.588   87.341   12.709   92.393   8.4568 -5.052231 15.26562 
1 1 1   -2    3   72 o  176.231   5.8730  207.822   13.209  224.634   23.331  199.891   16.025  181.162   9.5034  171.301   6.9032 9.861176 11.74601 
1 1 1   -2    3   73 o  149.364   4.9545  152.050   10.027  155.686   14.281  148.515   14.081  151.129   6.9732  147.599   7.0400 3.530334 9.908935 
1 1 1   -2    3   74 o  198.876   4.7929  269.609   12.914  261.263   18.119  278.225   18.410  195.739   6.8310  202.013   6.7249 -6.274094 9.585708 
1 1 1   -2    3   75 o  204.272   5.8311  287.352   15.301  280.293   26.015  291.085   18.919  201.997   9.5038  206.547   6.7592 -4.550110 11.66228 
1 1 1   -2    3   76 o  199.523   4.8446  271.723   13.094  278.131   18.852  265.751   18.200  201.784   6.8941  197.261   6.8083 4.522308 9.689269 
1 1 1   -2    3   77 o   91.974   5.9860   58.192   7.4412   53.316   10.509   63.095   10.538   88.053   8.8073   95.895   8.1091 -7.842201 11.97191 
1 1 1   -2    3   78 o   69.765   7.1286   33.731   6.7223   36.685   9.5553   30.837   9.4591   72.849   9.6791   66.680   10.468 6.169411 14.25723 
1 1 1   -2    3   79 o  166.492   4.8705  190.078   10.981  197.267   15.491  182.816   15.569  169.699   6.7364  163.285   7.0362 6.414444 9.741007 
1 1 1   -2    3   80 o  247.941   6.1991  429.301   19.398  436.889   23.628  413.607   33.978  252.295   6.9108  243.586   10.293 8.708908 12.39816 
1 1 1   -2    3   81 o   95.842   7.5961   69.814   8.8823   81.139   11.074   49.384   14.874  108.494   7.5319   83.189   13.194 25.30505 15.19216 
1 1 1   -2    3   82 o  189.461   4.8186  247.094   12.371  248.184   17.418  245.986   17.572  189.902   6.7684  189.020   6.8603 0.8825073 9.637120 
1 1 1   -2    3   83 o   75.665   6.6610   40.371   6.7411   47.904   9.5745   32.966   9.4926   82.939   8.5188   68.392   10.242 14.54694 13.32198 
1 1 1   -2    3   84 o  164.874   4.8975  187.709   10.934  178.633   15.170  197.524   15.775  160.712   6.9654  169.036   6.8867 -8.323166 9.795091 
1 1 1   -2    3   85 o   60.330   9.3311   29.899   7.4231   17.585   12.294   36.963   9.3120   48.334   16.063   72.325   9.5010 -23.99082 18.66229 
1 1 1   -2    3   86 o   30.265   8.4139   2.2138   5.5819   9.5039   7.9938  -4.7232   7.7978   37.108   12.940   23.422   10.758 13.68596 16.82771 
1 1 1   -2    3   87 o   85.574   6.0292   51.785   6.9750   55.395   9.8233   48.114   9.9055   88.728   8.1698   82.419   8.8688 6.308990 12.05830 
1 1 1   -2    3   88 o   36.719   9.3198   8.9315   6.4433  -0.3886   10.973   13.837   7.9603   30.863   13.571   42.575   12.777 -11.71125 18.63966 
1 1 1   -2    3   89 o   36.770   9.7321   8.9578   6.4377   6.3597   11.127   10.265   7.8927   35.936   14.601   37.604   12.871 -1.668491 19.46417 
1 1 1   -2    3   90 o   37.989   9.2565   9.8861   6.7091  -2.5080   11.172   16.877   8.3905   29.546   13.296   46.432   12.882 -16.88612 18.51303 
1 1 1   -2    3   91 o   93.462   7.3876   65.448   8.8061   58.963   14.696   69.081   11.000   88.430   12.263   98.494   8.2412 -10.06465 14.77515 
1 1 1   -2    3   92 o   54.961   11.393   25.009   9.2753   17.654   12.585   33.754   13.723   46.576   16.236   63.345   15.986 -16.76851 22.78534 
1 1 1   -2    3   93 f   92.864   12.205   65.779   15.359   65.779   15.359   0.0000   0.0000   92.864   12.205  ?   ?       ?      ? 
1 1 1   -2    3   94 o   82.352   13.106   53.135   14.626   53.135   14.626   0.0000   0.0000   82.352   13.106  ?   ?       ?      ? 
1 1 1   -2    3   95 o   56.103   16.387   28.095   13.238   28.095   13.238   0.0000   0.0000   56.103   16.387  ?   ?       ?      ? 
1 1 1   -2    3   96 o   27.631   12.805  -4.7751   11.404  -4.7751   11.404   0.0000   0.0000   27.631   12.805  ?   ?       ?      ? 
1 1 1   -2    4    1 o  1041.71   11.706  7365.73  165.253  7402.92  234.340  7328.94  233.071  1044.33   16.559  1039.10   16.552 5.230713 23.41279 
1 1 1   -2    4    2 o  898.335   10.211  5475.47  124.308  5480.02  175.874  5470.92  175.721  898.708   14.441  897.961   14.441 0.7471313 20.42243 
1 1 1   -2    4    3 o  991.889   11.193  6677.09  150.450  6644.94  212.195  6709.60  213.348  989.488   15.825  994.290   15.834 -4.802185 22.38628 
1 1 1   -2    4    4 o  422.511   6.8320  1208.35   36.793  1216.12   64.124  1204.54   44.924  423.477   11.174  421.546   7.8641 1.931519 13.66395 
1 1 1   -2    4    5 o  415.345   6.7556  1168.03   35.785  1174.28   62.281  1164.95   43.722  416.131   11.044  414.560   7.7828 1.571442 13.51113 
1 1 1   -2    4    6 o  508.240   7.7755  1753.69   50.652  1757.89   62.280  1745.49   87.054  509.209   9.0254  507.271   12.664 1.938477 15.55092 
1 1 1   -2    4    7 f  582.655   8.6330  2311.78   64.495  2331.05   79.451  2274.54  110.438  586.332   9.9994  578.978   14.076 7.353821 17.26607 
1 1 1   -2    4    8 o  387.633   5.2649  1018.42   27.655  1006.24   38.881  1030.89   39.342  385.288   7.4468  389.978   7.4444 -4.689545 10.52973 
1 1 1   -2    4    9 o  838.995   9.6119  4776.05  109.279  4743.45  153.822  4809.26  155.277  836.106   13.576  841.883   13.610 -5.776733 19.22381 
1 1 1   -2    4   10 o  233.291   4.1190  368.864   13.022  367.318   18.386  370.420   18.445  232.801   5.8280  233.782   5.8223 -0.9812775 8.238049 
1 1 1   -2    4   11 o  586.420   7.0971  2330.15   56.375  2404.25   81.155  2261.04   78.371  595.422   10.058  577.419   10.016 18.00391 14.19427 
1 1 1   -2    4   12 o  479.386   6.0858  1558.15   39.535  1567.33   56.051  1549.07   55.772  480.790   8.6028  477.981   8.6104 2.808929 12.17161 
1 1 1   -2    4   13 o  446.387   7.1151  1343.75   40.366  1329.42   49.060  1373.79   71.021  442.800   8.1759  449.974   11.647 -7.173462 14.23029 
1 1 1   -2    4   14 o  679.055   9.8164  3096.53   84.423  3036.08  102.071  3227.43  150.205  668.926   11.260  689.185   16.083 -20.25867 19.63288 
1 1 1   -2    4   15 o  357.849   5.0472  868.018   24.473  852.594   34.336  883.944   34.891  354.619   7.1450  361.080   7.1305 -6.461273 10.09431 
1 1 1   -2    4   16 o  253.313   4.2954  434.944   14.744  429.366   20.739  440.644   20.966  251.671   6.0811  254.955   6.0683 -3.284149 8.590888 
1 1 1   -2    4   17 o  240.675   5.1348  396.887   15.889  379.496   26.851  406.258   19.710  236.546   8.3764  244.804   5.9413 -8.257523 10.26953 
1 1 1   -2    4   18 o  576.035   8.5853  2260.61   63.404  2230.09  108.652  2276.37   78.076  572.872   13.996  579.199   9.9473 -6.326721 17.17063 
1 1 1   -2    4   19 o  694.784   8.1826  3276.91   77.033  3323.16  109.931  3232.29  107.978  699.597   11.595  689.972   11.548 9.624939 16.36516 
1 1 1   -2    4   20 o  507.193   6.3770  1744.48   43.820  1704.96   61.213  1786.01   62.759  501.306   9.0106  513.081   9.0263 -11.77536 12.75404 
1 1 1   -2    4   21 o  636.206   7.6037  2746.21   65.539  2810.09   93.951  2685.66   91.469  643.407   10.775  629.005   10.731 14.40131 15.20735 
1 1 1   -2    4   22 o  441.161   5.7842  1320.02   34.579  1311.49   48.729  1328.66   49.077  439.727   8.1776  442.595   8.1826 -2.867950 11.56838 
1 1 1   -2    4   23 o  265.773   4.4315  478.875   15.960  481.287   22.598  476.474   22.545  266.441   6.2587  265.105   6.2755 1.335846 8.863053 
1 1 1   -2    4   24 f  791.584   9.1654  4255.27   98.316  4274.65  139.426  4236.11  138.657  793.376   12.968  789.793   12.955 3.583313 18.33071 
1 1 1   -2    4   25 o  326.104   5.9917  722.284   24.917  717.966   43.249  724.429   30.485  325.323   9.8103  326.884   6.8818 -1.560364 11.98336 
1 1 1   -2    4   26 o  370.337   6.4729  947.083   30.786  875.362   51.649  986.606   38.341  359.204   10.611  381.470   7.4169 -22.26602 12.94586 
1 1 1   -2    4   27 o  612.819   7.3978  2547.36   61.434  2564.17   87.161  2530.76   86.603  614.828   10.461  610.810   10.463 4.018494 14.79556 
1 1 1   -2    4   28 o  688.723   11.547  3218.03  107.770  3218.03  107.770   0.0000   0.0000  688.723   11.547  ?   ?       ?      ? 
1 1 1   -2    4   29 o  561.359   6.9310  2135.36   52.704  2077.76   73.280  2197.08   75.856  553.524   9.7693  569.193   9.8344 -15.66858 13.86197 
1 1 1   -2    4   30 o  420.225   6.8483  1178.31   36.557  1144.13   44.225  1252.06   64.961  410.812   7.9440  429.639   11.158 -18.82629 13.69664 
1 1 1   -2    4   31 o  678.642   11.363  3125.21  104.465  3210.90  150.211  3044.95  145.378  687.640   16.120  669.644   16.020 17.99628 22.72662 
1 1 1   -2    4   33 o  997.894   13.826  6669.13  174.206  6500.99  209.794  7042.53  312.640  978.488   15.822  1017.30   22.678 -38.81079 27.65208 
1 1 1   -2    4   34 o  364.973   5.2342  902.982   25.888  903.790   36.585  902.173   36.637  365.137   7.3937  364.809   7.4108 0.3272705 10.46837 
1 1 1   -2    4   35 o  456.007   8.4755  1409.85   52.374  1409.85   52.374   0.0000   0.0000  456.007   8.4755  ?   ?       ?      ? 
1 1 1   -2    4   36 o  1108.14   12.485  8344.62  187.481  8377.23  265.559  8312.23  264.720  1110.30   17.650  1105.98   17.663 4.318115 24.96956 
1 1 1   -2    4   37 o  1199.58   13.421  9784.88  218.170  9834.65  309.509  9735.74  307.578  1202.61   18.992  1196.55   18.969 6.057739 26.84231 
1 1 1   -2    4   38 o  502.663   6.4176  1713.20   43.711  1741.73   62.300  1685.54   61.344  506.784   9.0716  498.542   9.0801 8.241974 12.83515 
1 1 1   -2    4   39 o  546.196   8.3543  2019.94   58.322  2038.69  101.153  2010.61   71.382  547.947   13.623  544.446   9.6750 3.501038 16.70867 
1 1 1   -2    4   40 o  252.359   6.4380  431.728   22.017  431.728   22.017   0.0000   0.0000  252.359   6.4380  ?   ?       ?      ? 
1 1 1   -2    4   41 o  1066.31   12.035  7729.78  173.855  7564.35  242.303  7905.31  249.594  1054.58   16.955  1078.05   17.085 -23.47437 24.07004 
1 1 1   -2    4   42 o  257.043   4.6278  447.398   16.103  477.402   23.182  419.423   22.384  265.362   6.4466  248.723   6.6412 16.63960 9.255504 
1 1 1   -2    4   43 o  703.115   10.224  3356.20   91.787  3372.23  159.317  3348.23  112.297  704.003   16.700  702.227   11.801 1.775635 20.44827 
1 1 1   -2    4   44 o  428.337   7.1547  1262.87   39.473  1186.96   66.130  1304.88   49.198  418.077   11.672  438.597   8.2775 -20.51968 14.30947 
1 1 1   -2    4   45 f  334.688   5.1124  758.005   23.161  716.994   31.914  803.644   33.666  325.144   7.2430  344.232   7.2170 -19.08789 10.22476 
1 1 1   -2    4   46 o  500.855   6.4478  1702.34   43.760  1685.96   61.462  1719.18   62.319  498.414   9.0999  503.296   9.1372 -4.881622 12.89560 
1 1 1   -2    4   47 o  350.801   5.2156  834.130   24.782  868.962   35.597  801.369   34.523  357.904   7.3395  343.698   7.4122 14.20578 10.43117 
1 1 1   -2    4   48 o  540.216   6.8027  1981.52   49.796  1958.80   69.866  2004.96   70.991  537.073   9.5995  543.359   9.6413 -6.286194 13.60530 
1 1 1   -2    4   49 o  506.871   8.0231  1740.32   51.632  1728.37   62.760  1765.36   90.823  504.488   9.1801  509.253   13.161 -4.764587 16.04617 
1 1 1   -2    4   50 o  127.147   5.5602  110.799   9.1236  113.338   11.364  106.194   15.304  129.254   6.4878  125.041   9.0317 4.212479 11.12036 
1 1 1   -2    4   51 o  337.695   6.1943  760.067   26.670  733.267   32.337  817.077   47.163  328.690   7.2599  346.699   10.038 -18.00858 12.38860 
1 1 1   -2    4   52 o  282.782   4.7969  542.680   18.382  540.848   25.891  544.542   26.102  282.302   6.7678  283.262   6.7998 -0.9604492 9.593811 
1 1 1   -2    4   53 o  239.541   4.5985  389.397   14.927  388.042   21.017  390.776   21.204  239.121   6.4859  239.960   6.5206 -0.8387146 9.197051 
1 1 1   -2    4   54 o  202.438   4.5098  278.145   12.371  279.300   17.422  276.970   17.569  202.864   6.3373  202.012   6.4180 0.8522186 9.019508 
1 1 1   -2    4   55 o  174.696   4.5228  206.789   10.678  229.279   15.434  186.146   14.787  183.799   6.1968  165.593   6.5895 18.20639 9.045528 
1 1 1   -2    4   56 o  154.680   5.4675  154.408   10.802  186.910   19.459  139.932   12.987  165.800   8.6609  143.560   6.6755 22.24063 10.93496 
1 1 1   -2    4   57 o  294.626   6.0287  591.226   22.683  587.424   39.245  593.134   27.796  293.736   9.8592  295.517   6.9410 -1.781158 12.05744 
1 1 1   -2    4   58 o  193.475   6.4265  254.183   16.849  254.183   16.849   0.0000   0.0000  193.475   6.4265  ?   ?       ?      ? 
1 1 1   -2    4   59 o  587.159   8.9468  2339.13   66.844  2408.71  117.436  2305.79   81.299  592.694   14.621  581.625   10.315 11.06921 17.89354 
1 1 1   -2    4   60 o  174.575   5.6207  209.987   12.559  198.819   21.355  215.891   15.528  170.867   9.2227  178.283   6.4273 -7.415909 11.24136 
1 1 1   -2    4   61 o  220.159   4.6357  328.805   13.814  352.207   19.931  307.172   19.163  227.695   6.4594  212.624   6.6508 15.07153 9.271302 
1 1 1   -2    4   62 o  393.887   5.6562  1053.24   30.155  1120.85   43.831  992.479   41.552  405.868   7.9692  381.906   8.0289 23.96146 11.31239 
1 1 1   -2    4   63 o  189.521   6.5533  244.101   16.831  244.101   16.831   0.0000   0.0000  189.521   6.5533  ?   ?       ?      ? 
1 1 1   -2    4   64 o  256.263   5.9734  444.519   19.394  439.536   23.506  455.142   34.324  254.260   6.8221  258.265   9.8074 -4.004852 11.94678 
1 1 1   -2    4   65 o  267.003   6.0939  481.457   20.672  473.487   25.087  498.312   36.484  263.848   7.0165  270.157   9.9656 -6.308838 12.18787 
1 1 1   -2    4   66 o  597.250   10.650  2451.27   86.016  2642.79  126.441  2286.27  117.358  618.866   15.077  575.634   15.045 43.23230 21.29905 
1 1 1   -2    4   67 o  334.194   7.4914  760.342   33.927  760.342   33.927   0.0000   0.0000  334.194   7.4914  ?   ?       ?      ? 
1 1 1   -2    4   68 o   75.270   6.8741   38.835   6.9769   43.255   9.8670   34.415   9.8666   79.603   9.1469   70.936   10.264 8.666794 13.74829 
1 1 1   -2    4   69 o  244.728   4.8258  407.552   16.001  418.929   22.748  396.411   22.511  248.117   6.7657  241.339   6.8831 6.778625 9.651540 
1 1 1   -2    4   70 o  235.850   4.8305  377.926   15.409  412.500   22.294  346.299   21.322  246.182   6.6826  225.518   6.9769 20.66357 9.660908 
1 1 1   -2    4   71 o  118.778   5.3246   96.374   8.5535   91.746   12.283  100.732   11.919  115.975   7.8152  121.581   7.2339 -5.605278 10.64928 
1 1 1   -2    4   72 o  167.952   6.0607  197.752   12.833  178.782   22.161  207.322   15.740  161.446   10.129  174.459   6.6578 -13.01308 12.12135 
1 1 1   -2    4   73 o  113.659   5.4201   88.283   8.3413   85.167   11.881   91.312   11.714  111.657   7.8518  115.660   7.4737 -4.002197 10.84011 
1 1 1   -2    4   74 o  159.112   5.9427  173.378   12.087  173.189   20.884  173.474   14.822  158.772   9.7063  159.453   6.8594 -0.6810455 11.88540 
1 1 1   -2    4   75 o  236.565   4.8374  382.014   15.503  395.922   22.113  368.572   21.740  240.816   6.7761  232.315   6.9054 8.500275 9.674726 
1 1 1   -2    4   76 o  154.774   4.8945  163.641   10.258  155.221   14.325  172.504   14.697  150.671   7.0160  158.876   6.8264 -8.205368 9.788992 
1 1 1   -2    4   77 o  171.455   4.8567  201.126   11.284  200.326   15.909  201.937   16.008  171.113   6.8606  171.796   6.8763 -0.6825256 9.713484 
1 1 1   -2    4   78 o  120.440   5.3581   99.255   8.7148   88.288   11.980  111.581   12.701  113.351   7.7992  127.529   7.3492 -14.17800 10.71623 
1 1 1   -2    4   79 o   56.324   9.6083   18.903   7.2438   9.8999   8.6707   39.706   13.180   38.907   13.482   73.740   13.694 -34.83306 19.21663 
1 1 1   -2    4   80 o  163.897   4.8626  184.347   10.794  178.267   14.985  190.906   15.563  161.095   6.8642  166.699   6.8892 -5.604706 9.725136 
1 1 1   -2    4   81 o  139.657   6.0937  137.472   10.896  142.273   13.522  128.580   18.401  143.773   6.9404  135.541   10.018 8.232315 12.18737 
1 1 1   -2    4   82 o   69.499   7.2619   34.463   6.5827   27.707   9.1367   41.755   9.4922   61.652   11.354   77.345   9.0563 -15.69305 14.52378 
1 1 1   -2    4   83 o   84.222   6.3006   49.923   7.1076   58.673   10.085   41.290   10.018   91.828   8.1047   76.616   9.6491 15.21208 12.60128 
1 1 1   -2    4   84 o   49.171   8.9968   18.245   6.0471   17.241   8.6571   19.201   8.4505   47.801   13.014   50.540   12.426 -2.738670 17.99369 
1 1 1   -2    4   85 o   41.431   9.2084   12.507   5.9706   8.0707   8.5296   16.768   8.3603   35.845   13.257   47.018   12.784 -11.17358 18.41673 
1 1 1   -2    4   86 o   85.646   8.8709   51.878   10.296   0.0000   0.0000   51.878   10.296  ?   ?    85.646   8.8709      ?      ? 
1 1 1   -2    4   87 o   57.350   9.5716   26.290   7.2281   21.197   12.483   28.859   8.8654   51.449   16.108   63.250   10.343 -11.80053 19.14327 
1 1 1   -2    4   88 o   51.289   9.7590   21.883   7.0900   14.366   11.948   25.969   8.8086   43.940   15.773   58.638   11.496 -14.69757 19.51796 
1 1 1   -2    4   89 o   51.250   8.7342   22.526   7.2911   1.9410   12.038   34.452   9.1628   33.444   14.466   69.056   9.7914 -35.61188 17.46835 
1 1 1   -2    4   90 o   70.163   10.678   39.729   9.8154   38.007   13.227   41.838   14.642   68.775   14.642   71.551   15.546 -2.776299 21.35529 
1 1 1   -2    4   91 o   42.138   11.154   13.094   8.6306   14.786   11.677   11.056   12.813   43.638   15.601   40.639   15.946 2.998936 22.30826 
1 1 1   -2    4   92 o   48.110   10.833   17.922   9.0727   30.697   12.703   4.6197   12.963   60.570   15.432   35.649   15.208 24.92052 21.66667 
1 1 1   -2    4   93 o   78.823   14.112   50.217   14.521   50.217   14.521   0.0000   0.0000   78.823   14.112  ?   ?       ?      ? 
1 1 1   -2    4   94 o   78.515   14.399   50.737   14.756   50.737   14.756   0.0000   0.0000   78.515   14.399  ?   ?       ?      ? 
1 1 1   -2    4   96 o   47.581   16.648   20.889   13.238   20.889   13.238   0.0000   0.0000   47.581   16.648  ?   ?       ?      ? 
1 1 1   -2    5    1 o  420.703   5.5788  1198.72   31.789  1157.17   44.135  1243.51   45.825  413.135   7.8833  428.271   7.8959 -15.13568 11.15761 
1 1 1   -2    5    2 o  510.665   6.3922  1766.83   44.217  1827.56   63.626  1710.10   61.492  519.144   9.0441  502.186   9.0359 16.95840 12.78446 
1 1 1   -2    5    3 o  659.112   7.8133  2945.00   69.761  2868.99   97.082  3026.16  100.312  650.327   11.016  667.898   11.083 -17.57147 15.62651 
1 1 1   -2    5    4 o  831.018   9.5430  4687.67  107.468  4685.91  151.884  4689.43  152.081  830.863   13.490  831.173   13.502 -0.3104858 19.08605 
1 1 1   -2    5    5 o  594.099   7.1791  2393.53   57.792  2361.16   81.014  2427.07   82.466  590.011   10.132  598.187   10.173 -8.176086 14.35830 
1 1 1   -2    5    6 o  921.156   10.479  5760.13  130.782  5881.42  187.427  5645.03  182.576  930.597   14.862  911.716   14.777 18.88104 20.95863 
1 1 1   -2    5    7 o  588.432   8.2282  2360.26   57.052  2371.34   66.097  2327.85  112.986  591.371   8.2478  585.493   14.240 5.877930 16.45647 
1 1 1   -2    5    8 o  446.147   6.6304  1301.84   34.148  1260.53   38.836  1442.64   71.700  431.212   6.6460  461.083   11.475 -29.87076 13.26074 
1 1 1   -2    5    9 o  615.562   8.5501  2569.66   71.322  2569.66   71.322   0.0000   0.0000  615.562   8.5501  ?   ?       ?      ? 
1 1 1   -2    5   10 o  273.162   6.2496  505.830   23.134  505.830   23.134   0.0000   0.0000  273.162   6.2496  ?   ?       ?      ? 
1 1 1   -2    5   11 o  446.612   5.8179  1352.11   35.203  1384.57   50.406  1321.19   49.186  451.844   8.2322  441.381   8.2232 10.46243 11.63573 
1 1 1   -2    5   12 o  236.743   5.0875  381.522   15.504  375.221   26.331  384.865   19.181  235.214   8.2609  238.272   5.9403 -3.057541 10.17500 
1 1 1   -2    5   13 o  549.565   8.2813  2067.17   58.551  1996.46   99.068  2105.12   72.584  542.107   13.485  557.023   9.6158 -14.91553 16.56258 
1 1 1   -2    5   14 o  262.405   5.2645  463.054   17.727  478.937   30.679  455.093   21.721  265.721   8.5198  259.089   6.1864 6.632233 10.52893 
1 1 1   -2    5   15 o  302.391   5.6742  627.753   22.089  595.429   37.143  645.440   27.475  296.245   9.2523  308.536   6.5713 -12.29153 11.34842 
1 1 1   -2    5   16 o  445.033   5.8111  1343.38   35.045  1342.86   49.533  1343.91   49.590  444.946   8.2150  445.120   8.2212 -0.1737366 11.62214 
1 1 1   -2    5   17 o  459.230   5.9416  1430.48   36.975  1421.08   52.085  1440.02   52.498  457.711   8.3972  460.750   8.4081 -3.039093 11.88312 
1 1 1   -2    5   18 o  608.890   7.3448  2516.29   60.604  2516.83   85.697  2515.76   85.718  608.955   10.385  608.825   10.390 0.1301270 14.68966 
1 1 1   -2    5   19 o  382.709   5.2928  992.027   27.433  951.694   38.048  1035.69   39.589  374.617   7.4948  390.800   7.4754 -16.18332 10.58556 
1 1 1   -2    5   20 o  231.632   4.2273  363.512   13.264  349.871   18.529  377.851   18.997  227.177   6.0186  236.087   5.9378 -8.910736 8.454656 
1 1 1   -2    5   21 o  692.986   8.1741  3259.69   76.761  3242.64  108.218  3276.94  108.899  691.164   11.554  694.808   11.566 -3.644409 16.34826 
1 1 1   -2    5   22 o  526.713   6.5788  1881.57   46.954  1859.17   65.957  1904.58   66.859  523.537   9.2967  529.890   9.3109 -6.353394 13.15754 
1 1 1   -2    5   23 o  302.466   5.8149  620.575   22.360  619.749   39.093  620.976   27.259  302.275   9.5437  302.656   6.6462 -0.3811646 11.62983 
1 1 1   -2    5   24 o  238.791   5.3455  386.617   16.243  386.513   28.354  386.669   19.817  238.742   8.7641  238.840   6.1228 -0.9799194E-01 10.69107 
1 1 1   -2    5   25 o  213.646   4.2355  308.932   12.252  291.935   16.992  327.336   17.682  207.534   6.0420  219.759   5.9374 -12.22472 8.471006 
1 1 1   -2    5   26 o  370.922   7.3348  933.039   36.866  942.669   52.476  923.654   51.804  372.811   10.387  369.033   10.359 3.778137 14.66952 
1 1 1   -2    5   27 o  811.674   11.515  4528.13  120.644  4293.15  201.666  4659.09  150.556  794.774   18.724  828.575   13.409 -33.80060 23.03021 
1 1 1   -2    5   28 o  684.504   8.1128  3176.45   75.230  3102.99  104.820  3254.49  108.036  676.349   11.436  692.659   11.510 -16.30969 16.22550 
1 1 1   -2    5   29 o  699.483   8.2647  3316.67   78.311  3232.76  108.942  3406.37  112.647  690.339   11.645  708.627   11.731 -18.28821 16.52934 
1 1 1   -2    5   30 o  1120.17   15.418  8395.38  217.448  8166.12  261.115  8914.10  392.770  1096.41   17.574  1143.93   25.337 -47.52295 30.83547 
1 1 1   -2    5   31 o  247.343   5.3056  399.982   16.748  373.530   20.205  458.079   29.943  234.754   6.3512  259.933   8.5007 -25.17934 10.61128 
1 1 1   -2    5   32 o  350.697   6.2521  840.891   28.213  856.815   34.984  811.271   47.712  355.524   7.2614  345.870   10.180 9.653809 12.50417 
1 1 1   -2    5   33 o  882.858   10.114  5289.42  120.984  5206.99  169.334  5375.38  172.918  875.837   14.267  889.879   14.339 -14.04144 20.22784 
1 1 1   -2    5   34 o  589.170   7.2088  2354.26   57.556  2353.17   81.303  2355.35   81.490  589.034   10.185  589.306   10.204 -0.2714844 14.41769 
1 1 1   -2    5   35 o  403.176   5.5649  1099.98   30.376  1046.10   41.928  1159.48   44.067  392.806   7.8767  413.545   7.8633 -20.73935 11.12988 
1 1 1   -2    5   36 o  914.288   10.448  5676.94  129.446  5662.19  182.724  5691.81  183.406  913.097   14.767  915.479   14.784 -2.382629 20.89554 
1 1 1   -2    5   37 o  682.331   8.1215  3159.09   75.093  3185.98  106.703  3132.70  105.699  685.208   11.491  679.455   11.480 5.753113 16.24294 
1 1 1   -2    5   38 o  712.604   10.335  3462.42   94.441  3409.65  161.679  3489.74  116.355  708.166   16.847  717.042   11.974 -8.875549 20.66943 
1 1 1   -2    5   39 o  1060.38   14.683  7610.61  197.842  7807.71  348.317  7516.74  240.383  1069.45   24.034  1051.32   16.873 18.12610 29.36561 
1 1 1   -2    5   41 o  512.587   8.0370  1795.78   52.815  1745.67   90.168  1821.95   65.163  506.947   13.125  518.227   9.2789 -11.28046 16.07390 
1 1 1   -2    5   42 o  899.955   12.680  5515.08  145.743  5517.09  252.507  5514.08  178.472  899.318   20.719  900.593   14.624 -1.275696 25.36034 
1 1 1   -2    5   43 f  294.120   4.8366  586.586   19.277  592.852   27.360  580.410   27.164  295.680   6.8283  292.560   6.8517 3.120117 9.673244 
1 1 1   -2    5   44 o  198.111   4.4434  265.931   11.922  253.627   16.632  278.936   17.099  193.400   6.3461  202.823   6.2212 -9.423141 8.886806 
1 1 1   -2    5   45 o  430.210   5.8444  1255.22   34.064  1291.75   48.765  1220.42   47.604  436.320   8.2475  424.099   8.2830 12.22055 11.68885 
1 1 1   -2    5   46 o  205.554   6.2519  286.547   17.415  286.547   17.415   0.0000   0.0000  205.554   6.2519  ?   ?       ?      ? 
1 1 1   -2    5   47 o  386.188   6.7931  1011.39   33.268  1008.63   40.431  1017.17   58.539  385.533   7.7388  386.844   11.167 -1.311127 13.58621 
1 1 1   -2    5   48 o   94.994   6.6463   61.098   7.8535   60.804   9.3877   61.783   14.335   94.660   7.3183   95.327   11.097 -0.6670685 13.29257 
1 1 1   -2    5   49 o  396.532   5.5863  1067.19   30.015  1053.38   42.052  1081.54   42.853  393.919   7.8777  399.146   7.9226 -5.226959 11.17257 
1 1 1   -2    5   50 o  465.334   7.4746  1452.97   44.221  1417.31   53.600  1528.99   78.255  456.793   8.6589  473.875   12.186 -17.08264 14.94913 
1 1 1   -2    5   51 o  583.927   8.8577  2339.45   66.462  2375.56   82.238  2271.45  112.846  591.003   10.268  576.851   14.436 14.15265 17.71531 
1 1 1   -2    5   52 o  272.433   4.7779  503.551   17.633  523.636   25.204  484.296   24.677  277.756   6.6960  267.110   6.8175 10.64575 9.555876 
1 1 1   -2    5   53 o  365.567   5.3869  907.158   26.678  937.955   38.211  877.869   37.263  371.621   7.5876  359.514   7.6486 12.10693 10.77370 
1 1 1   -2    5   54 o  196.193   4.5277  261.235   12.035  253.917   16.912  268.744   17.131  193.407   6.4527  198.979   6.3531 -5.572372 9.055348 
1 1 1   -2    5   55 o  423.899   5.8487  1221.30   33.596  1236.19   47.804  1206.78   47.223  426.451   8.2721  421.347   8.2705 5.103210 11.69742 
1 1 1   -2    5   56 o  214.982   5.6954  316.398   15.548  307.721   27.051  320.679   19.001  212.641   9.3874  217.324   6.4517 -4.683167 11.39074 
1 1 1   -2    5   58 o  125.064   5.7807  103.543   9.3344  115.584   16.204   97.562   11.420  130.299   9.1767  119.828   7.0325 10.47139 11.56148 
1 1 1   -2    5   59 o  381.508   5.5383  989.323   28.626  964.788   39.975  1015.15   41.011  376.656   7.8317  386.360   7.8328 -9.704681 11.07651 
1 1 1   -2    5   60 o   58.340   7.5109   24.024   5.7316   19.318   8.2689   28.375   7.9518   52.135   11.958   64.545   9.0912 -12.40965 15.02176 
1 1 1   -2    5   61 o  152.449   4.6808  157.927   9.6685  158.131   13.798  157.730   13.552  152.542   6.6749  152.355   6.5638 0.1861420 9.361547 
1 1 1   -2    5   62 o  501.728   6.5594  1715.61   44.594  1745.25   63.564  1686.89   62.578  505.997   9.2700  497.460   9.2828 8.537018 13.11884 
1 1 1   -2    5   63 o  175.586   5.9098  207.216   13.017  202.827   15.606  217.255   23.600  172.733   6.6669  178.439   9.7600 -5.705399 11.81967 
1 1 1   -2    5   64 o  163.693   4.7660  182.234   10.569  187.348   14.941  177.112   14.953  166.001   6.6418  161.385   6.8372 4.615204 9.532076 
1 1 1   -2    5   65 o   98.348   5.8377   65.851   7.7419   57.363   10.743   75.021   11.166   91.734   8.6423  104.963   7.8503 -13.22847 11.67548 
1 1 1   -2    5   66 o  226.620   4.7928  349.317   14.715  348.827   20.585  349.830   21.043  226.466   6.7077  226.773   6.8476 -0.3073273 9.585513 
1 1 1   -2    5   67 o  292.091   6.0942  582.047   22.853  582.365   28.144  581.429   39.156  292.516   7.1000  291.666   9.9068 0.8507996 12.18832 
1 1 1   -2    5   68 o  113.446   5.4363   87.853   8.2836   73.331   11.535  103.318   11.903  103.703   8.2080  123.189   7.1304 -19.48652 10.87258 
1 1 1   -2    5   69 o  208.909   4.7871  297.076   13.552  297.402   19.265  296.757   19.066  209.018   6.8015  208.800   6.7384 0.2177429 9.574236 
1 1 1   -2    5   70 o   99.494   6.9301   66.475   8.8778   71.923   15.399   63.763   10.865  102.342   11.103   96.646   8.2962 5.696762 13.86028 
1 1 1   -2    5   71 o  291.517   6.3219  578.506   23.360  573.435   28.348  589.236   41.235  290.016   7.2130  293.018   10.384 -3.001343 12.64375 
1 1 1   -2    5   72 o  112.169   7.7355   85.922   11.758   0.0000   0.0000   85.922   11.758  ?   ?   112.169   7.7355      ?      ? 
1 1 1   -2    5   73 o  211.682   6.0354  316.509   16.279  276.335   27.238  338.832   20.304  200.478   10.026  222.886   6.7222 -22.40814 12.07087 
1 1 1   -2    5   74 o  250.997   4.9220  430.244   16.741  430.361   23.617  430.126   23.735  251.036   6.9422  250.957   6.9792 0.7899475E-01 9.843991 
1 1 1   -2    5   75 o  188.897   4.8500  243.805   12.412  251.150   17.668  236.647   17.442  191.719   6.8004  186.074   6.9171 5.644775 9.700087 
1 1 1   -2    5   76 o  220.405   4.8536  332.130   14.492  320.187   20.248  344.673   20.750  216.332   6.9068  224.478   6.8211 -8.146393 9.707281 
1 1 1   -2    5   77 o   93.133   7.5916   61.190   8.7959   62.639   10.611   58.006   15.727   95.418   8.2059   90.847   12.775 4.571442 15.18327 
1 1 1   -2    5   78 o   60.695   8.0580   26.724   6.3944   33.991   9.0098   19.349   9.0767   70.025   9.4947   51.365   13.022 18.65997 16.11600 
1 1 1   -2    5   79 o  147.656   4.9222  149.756   9.8479  146.875   13.829  152.719   14.027  146.210   6.9798  149.102   6.9421 -2.891556 9.844334 
1 1 1   -2    5   80 o   90.585   5.9625   56.894   7.3159   58.354   10.295   55.406   10.398   91.796   8.2763   89.374   8.5853 2.421959 11.92495 
1 1 1   -2    5   81 o   86.916   6.9501   51.000   7.9271   45.618   9.8482   60.904   13.359   80.886   8.9847   92.946   10.606 -12.06023 13.90026 
1 1 1   -2    5   82 o  120.771   6.1671  101.403   9.6808  100.287   12.072  103.414   16.204  120.344   7.4025  121.199   9.8659 -0.8544464 12.33422 
1 1 1   -2    5   83 o   73.523   6.7485   38.171   6.7121   36.152   9.5741   40.123   9.4126   71.505   9.8805   75.541   9.1948 -4.035805 13.49703 
1 1 1   -2    5   84 o  118.352   5.2759   97.479   8.4543  103.133   12.086   92.062   11.830  121.768   7.3245  114.935   7.5955 6.832840 10.55176 
1 1 1   -2    5   85 o   36.736   9.8344   8.2975   6.4972   7.0645   11.355   8.8978   7.9223   37.225   14.881   36.246   12.862 0.9792709 19.66878 
1 1 1   -2    5   86 o   97.246   8.1782   66.620   10.777   0.0000   0.0000   66.620   10.777  ?   ?    97.246   8.1782      ?      ? 
1 1 1   -2    5   87 o   46.290   9.2419   17.718   6.8484   4.7086   11.460   24.945   8.5412   35.035   14.584   57.544   11.356 -22.50900 18.48372 
1 1 1   -2    5   88 o  125.757   6.5918  116.160   10.570  104.412   17.692  122.682   13.182  119.370   10.937  132.144   7.3612 -12.77403 13.18353 
1 1 1   -2    5   89 o   63.043   10.999   31.915   9.5564   21.879   12.780   44.644   14.393   51.399   16.326   74.688   14.744 -23.28939 21.99798 
1 1 1   -2    5   90 o   33.405   10.287   1.8412   8.5030   1.2821   10.796   2.7546   13.799   31.372   13.635   35.437   15.408 -4.064760 20.57458 
1 1 1   -2    5   91 o   30.097   13.512  -1.7285   11.462  -1.7285   11.462   0.0000   0.0000   30.097   13.512  ?   ?       ?      ? 
1 1 1   -2    5   92 o   47.597   16.847   19.093   13.585   0.0000   0.0000   19.093   13.585  ?   ?    47.597   16.847      ?      ? 
1 1 1   -2    5   93 o   54.546   11.019   24.267   9.7430   8.6827   13.299   42.322   14.314   38.281   15.804   70.810   15.359 -32.52870 22.03783 
1 1 1   -2    5   94 o   50.856   16.768   23.367   13.408   23.367   13.408   0.0000   0.0000   50.856   16.768  ?   ?       ?      ? 
1 1 1   -2    5   95 o   24.834   11.965 -12.7810   11.965 -12.7810   11.965   0.0000   0.0000   24.834   11.965  ?   ?       ?      ? 
1 1 1   -2    5   96 o   49.254   17.011   23.365   13.800   23.365   13.800   0.0000   0.0000   49.254   17.011  ?   ?       ?      ? 
1 1 1   -2    5   97 o   54.815   17.864   31.154   15.234   31.154   15.234   0.0000   0.0000   54.815   17.864  ?   ?       ?      ? 
1 1 1   -2    6    1 o  1909.27   21.136 25025.67  546.865 25093.63  774.708 24958.17  772.065  1911.84   29.902  1906.69   29.881 5.149048 42.27288 
1 1 1   -2    6    2 o  368.388   5.1719  920.202   25.817  935.269   36.649  905.360   36.374  371.382   7.2822  365.393   7.3459 5.988831 10.34373 
1 1 1   -2    6    3 o  536.905   6.6679  1949.85   48.437  1846.14   66.294  2068.61   70.944  521.641   9.3782  552.170   9.4811 -30.52875 13.33575 
1 1 1   -2    6    4 o  292.001   5.6340  571.040   20.825  558.479   25.152  598.427   37.138  287.006   6.4668  296.997   9.2276 -9.990906 11.26800 
1 1 1   -2    6    5 o  318.654   5.9171  695.612   24.040  709.598   29.539  668.177   41.371  323.504   6.7380  313.804   9.7286 9.700714 11.83412 
1 1 1   -2    6    6 o  191.284   4.0357  247.653   10.451  233.956   14.482  262.540   15.099  185.772   5.7526  196.796   5.6616 -11.02333 8.071314 
1 1 1   -2    6    7 o  302.652   4.6685  621.068   19.147  625.333   27.075  616.802   27.079  303.692   6.5790  301.612   6.6253 2.080170 9.336908 
1 1 1   -2    6    8 o  444.945   6.7182  1349.42   35.245  1355.77   40.845  1330.91   69.736  447.159   6.7406  442.730   11.623 4.428986 13.43649 
1 1 1   -2    6    9 o  542.071   7.7173  1974.72   48.840  1955.67   56.124  2034.17   99.130  536.992   7.7125  547.149   13.370 -10.15784 15.43467 
1 1 1   -2    6   10 o  342.538   5.7111  794.962   23.012  794.088   26.598  797.563   45.892  342.251   5.7349  342.824   9.8782 -0.5725098 11.42228 
1 1 1   -2    6   11 o  298.840   5.2980  597.181   18.603  588.877   21.422  622.646   37.515  294.739   5.3635  302.940   9.1384 -8.201782 10.59607 
1 1 1   -2    6   12 o  323.564   5.9057  716.281   24.539  729.876   30.365  690.687   41.663  328.087   6.8296  319.042   9.6366 9.045227 11.81134 
1 1 1   -2    6   13 o  131.954   5.5145  118.032   9.8608  118.032   9.8608   0.0000   0.0000  131.954   5.5145  ?   ?       ?      ? 
1 1 1   -2    6   14 o  448.392   5.8595  1363.63   35.603  1376.58   50.553  1350.88   50.149  450.505   8.2807  446.280   8.2923 4.225189 11.71892 
1 1 1   -2    6   15 o  784.240   9.0913  4177.24   96.617  4159.91  136.218  4194.79  137.059  782.604   12.844  785.875   12.870 -3.270447 18.18261 
1 1 1   -2    6   16 f  728.907   8.5380  3606.04   84.321  3541.46  117.901  3673.66  120.641  722.232   12.046  735.582   12.103 -13.35040 17.07609 
1 1 1   -2    6   17 o  991.425   11.225  6681.97  150.811  6711.38  213.857  6652.88  212.705  993.594   15.883  989.257   15.867 4.337158 22.45041 
1 1 1   -2    6   18 o  641.610   7.6784  2793.08   66.758  2824.33   94.996  2762.58   93.833  645.155   10.866  638.065   10.852 7.090027 15.35677 
1 1 1   -2    6   19 o  655.622   7.8333  2915.61   69.582  2864.11   97.281  2969.57   99.568  649.698   11.049  661.546   11.106 -11.84796 15.66653 
1 1 1   -2    6   20 o  585.282   8.7843  2331.01   65.691  2306.47  113.440  2343.39   80.575  582.795   14.364  587.769   10.116 -4.974426 17.56853 
1 1 1   -2    6   21 o  246.506   6.2502  411.892   20.780  360.057   28.880  467.545   29.924  230.421   9.2488  262.591   8.4093 -32.17049 12.50030 
1 1 1   -2    6   22 o  343.520   6.2136  818.694   27.613  733.980   45.191  869.164   34.881  328.969   10.137  358.071   7.1886 -29.10153 12.42728 
1 1 1   -2    6   23 o  1182.26   13.222  9499.72  211.830  9578.74  301.165  9422.35  298.006  1187.12   18.721  1177.40   18.678 9.722534 26.44473 
1 1 1   -2    6   24 o  227.003   4.3168  349.271   13.279  350.551   18.760  347.986   18.799  227.420   6.0872  226.586   6.1223 0.8338013 8.633504 
1 1 1   -2    6   25 o  654.130   7.8233  2898.84   69.306  2802.88   95.995  3003.32  100.165  642.838   11.020  665.421   11.108 -22.58221 15.64667 
1 1 1   -2    6   26 f  477.099   6.1581  1542.31   39.801  1502.12   55.449  1585.01   57.165  470.694   8.6930  483.505   8.7246 -12.81128 12.31612 
1 1 1   -2    6   27 o  570.161   8.6377  2210.95   62.839  2221.98   76.963  2188.89  108.835  572.420   9.9216  567.901   14.142 4.519592 17.27538 
1 1 1   -2    6   28 o  423.452   7.0222  1202.49   37.584  1179.39   45.359  1253.12   67.133  417.094   8.0250  429.810   11.526 -12.71606 14.04445 
1 1 1   -2    6   29 o  489.933   12.477  1628.56   82.838   0.0000   0.0000  1628.56   82.838  ?   ?   489.933   12.477      ?      ? 
1 1 1   -2    6   30 o  772.527   11.022  4076.19  109.361  4128.57  135.134  3976.77  186.169  780.031   12.784  765.023   17.958 15.00818 22.04343 
1 1 1   -2    6   31 o  127.918   4.4011  110.846   7.6259  106.428   10.657  115.482   10.917  125.307   6.2759  130.528   6.1718 -5.221603 8.802184 
1 1 1   -2    6   32 o  505.087   9.1133  1729.94   62.377  1729.94   62.377   0.0000   0.0000  505.087   9.1133  ?   ?       ?      ? 
1 1 1   -2    6   33 o  816.113   9.4481  4519.82  104.476  4448.25  146.232  4594.44  149.318  809.519   13.330  822.706   13.393 -13.18738 18.89624 
1 1 1   -2    6   34 o  636.547   7.6749  2748.60   66.200  2718.22   92.988  2779.82   94.268  632.981   10.841  640.112   10.867 -7.130859 15.34987 
1 1 1   -2    6   35 f  367.263   5.3022  914.359   26.386  928.614   37.589  900.510   37.049  370.085   7.4951  364.441   7.5018 5.643341 10.60439 
1 1 1   -2    6   36 o  139.330   4.4812  131.566   8.4588  135.883   12.061  127.387   11.867  141.580   6.2862  137.081   6.3881 4.499069 8.962388 
1 1 1   -2    6   37 o  145.736   5.4129  144.126   10.129  143.687   17.352  144.353   12.476  145.549   8.7974  145.923   6.3091 -0.3733978 10.82586 
1 1 1   -2    6   38 o  361.362   6.4650  893.859   30.017  860.102   50.879  911.882   37.176  356.012   10.546  366.712   7.4809 -10.69968 12.92994 
1 1 1   -2    6   39 o  955.473   13.393  6220.36  163.525  6210.96  282.876  6225.08  200.402  954.100   21.879  956.845   15.455 -2.745483 26.78697 
1 1 1   -2    6   40 o  568.401   7.0596  2190.68   54.354  2126.44   75.549  2259.61   78.258  559.772   9.9595  577.029   10.008 -17.25745 14.11924 
1 1 1   -2    6   41 o  256.993   4.6470  447.569   16.178  431.298   22.596  464.678   23.172  252.203   6.6115  261.783   6.5318 -9.579956 9.293932 
1 1 1   -2    6   42 o  811.376   9.4386  4473.46  103.754  4381.82  144.774  4570.23  148.769  802.845   13.307  819.907   13.390 -17.06158 18.87727 
1 1 1   -2    6   43 o  377.269   5.4355  965.277   27.785  946.849   38.902  984.466   39.698  373.595   7.6840  380.943   7.6900 -7.348602 10.87105 
1 1 1   -2    6   44 o  288.099   4.8265  562.048   18.826  531.446   26.065  595.421   27.220  279.912   6.8716  296.286   6.7794 -16.37344 9.652942 
1 1 1   -2    6   45 o  248.987   5.7839  422.128   18.207  424.609   22.113  416.907   32.079  250.202   6.5220  247.773   9.5539 2.428787 11.56777 
1 1 1   -2    6   46 o  416.204   5.7625  1175.75   32.499  1168.75   45.641  1182.95   46.287  414.951   8.1165  417.458   8.1821 -2.506592 11.52495 
1 1 1   -2    6   47 o  803.836   9.3886  4399.91  102.258  4335.79  143.234  4466.56  146.036  797.874   13.247  809.798   13.308 -11.92346 18.77725 
1 1 1   -2    6   48 o  771.932   9.0696  4058.78   94.874  4075.69  134.448  4042.02  133.897  773.533   12.826  770.332   12.827 3.201782 18.13914 
1 1 1   -2    6   49 o  394.202   6.8020  1067.09   34.518  1092.13   42.885  1021.01   58.170  401.044   7.8910  387.360   11.082 13.68402 13.60397 
1 1 1   -2    6   50 o   41.697   8.6219   11.823   5.8473   18.903   7.6849   2.0872   9.0114   51.701   11.285   31.693   13.038 20.00795 17.24384 
1 1 1   -2    6   51 o  312.688   5.0049  663.698   21.205  651.053   29.784  676.697   30.198  309.666   7.0974  315.710   7.0585 -6.043427 10.00981 
1 1 1   -2    6   52 o  353.674   5.2886  849.346   25.344  831.477   35.536  867.843   36.154  349.887   7.4948  357.460   7.4636 -7.573242 10.57721 
1 1 1   -2    6   53 o  248.258   4.6613  418.298   15.677  404.741   21.981  432.334   22.366  244.161   6.6434  252.354   6.5403 -8.193359 9.322561 
1 1 1   -2    6   54 o  489.290   6.4021  1628.44   42.448  1613.09   59.716  1644.12   60.349  486.960   9.0492  491.619   9.0586 -4.659607 12.80416 
1 1 1   -2    6   55 o  323.086   6.2711  704.551   25.741  726.178   45.394  694.301   31.251  326.491   10.260  319.681   7.2139 6.810394 12.54223 
1 1 1   -2    6   56 f  281.320   6.8724  537.616   26.199   0.0000   0.0000  537.616   26.199  ?   ?   281.320   6.8724      ?      ? 
1 1 1   -2    6   57 o  333.763   7.3415  757.148   33.205  757.148   33.205   0.0000   0.0000  333.763   7.3415  ?   ?       ?      ? 
1 1 1   -2    6   58 o  243.703   4.7154  403.377   15.569  390.710   21.820  416.514   22.221  239.803   6.7145  247.604   6.6224 -7.801346 9.430851 
1 1 1   -2    6   59 o  122.621   4.8838  102.190   8.1150  102.362   11.532  102.020   11.422  122.722   6.9340  122.520   6.8794 0.2020950 9.767605 
1 1 1   -2    6   60 o  182.626   6.5204  226.636   16.137  226.636   16.137   0.0000   0.0000  182.626   6.5204  ?   ?       ?      ? 
1 1 1   -2    6   61 o  100.484   6.9115   70.349   8.6629   72.835   10.492   65.023   15.356  103.474   7.4824   97.494   11.623 5.979424 13.82302 
1 1 1   -2    6   62 o  234.033   4.7493  372.291   15.059  382.632   21.447  362.235   21.150  237.243   6.6710  230.822   6.7617 6.420364 9.498549 
1 1 1   -2    6   63 o  240.256   4.7816  392.510   15.568  393.643   22.054  391.385   21.979  240.602   6.7639  239.911   6.7605 0.6905365 9.563187 
1 1 1   -2    6   64 o  199.626   4.7678  270.723   12.886  287.797   18.534  254.746   17.928  205.723   6.6482  193.530   6.8360 12.19266 9.535694 
1 1 1   -2    6   65 o   63.837   7.5067   28.261   6.3494   30.433   9.1077   26.207   8.8563   66.730   10.072   60.944   11.134 5.785740 15.01342 
1 1 1   -2    6   66 o  148.612   5.7607  150.886   11.124  151.782   13.910  149.296   18.530  149.353   6.8729  147.871   9.2470 1.481430 11.52143 
1 1 1   -2    6   67 o  371.161   6.7363  942.455   32.117  944.512   39.595  938.497   54.913  372.266   7.8488  370.056   10.950 2.210114 13.47268 
1 1 1   -2    6   68 o  113.634   5.3381   88.064   8.2143   85.363   11.710   90.682   11.526  111.902   7.7218  115.367   7.3726 -3.464584 10.67622 
1 1 1   -2    6   69 o  134.764   5.0630  123.527   9.2108  139.213   13.331  109.199   12.741  142.965   6.8810  126.564   7.4287 16.40083 10.12593 
1 1 1   -2    6   70 o  162.704   5.8958  179.400   12.277  185.376   21.343  176.445   15.009  164.497   9.5743  160.912   6.8829 3.584625 11.79159 
1 1 1   -2    6   71 o  219.477   5.8807  323.868   16.465  345.752   29.023  313.482   19.994  224.536   9.5384  214.418   6.8812 10.11723 11.76145 
1 1 1   -2    6   72 o  121.546   6.6707  101.652   10.353  100.715   17.883  102.125   12.697  120.854   10.920  122.238   7.6651 -1.383553 13.34141 
1 1 1   -2    6   73 f  160.308   4.9714  175.560   10.796  175.024   15.453  176.071   15.090  160.051   7.1250  160.564   6.9351 -0.5130005 9.942862 
1 1 1   -2    6   74 o  173.428   5.9551  206.454   13.250  206.447   22.725  206.457   16.310  173.063   9.6900  173.792   6.9252 -0.7281952 11.91021 
1 1 1   -2    6   75 o  210.345   6.1167  305.280   16.261  306.885   19.758  301.910   28.627  211.789   6.8843  208.900   10.112 2.888657 12.23335 
1 1 1   -2    6   76 o  109.685   6.9279   81.333   9.5243   78.235   11.377   88.590   17.414  106.698   7.8683  112.673   11.405 -5.974686 13.85584 
1 1 1   -2    6   77 o  125.783   5.1715  108.665   8.7810  121.629   12.604   96.439   12.240  133.147   6.9854  118.419   7.6276 14.72789 10.34298 
1 1 1   -2    6   78 o   75.561   7.0911   41.109   6.7466   27.459   9.4363   55.382   9.6496   61.526   11.746   89.596   7.9476 -28.07038 14.18227 
1 1 1   -2    6   79 o  199.727   4.7963  274.287   12.981  276.424   18.429  272.181   18.289  200.500   6.7827  198.955   6.7834 1.545135 9.592683 
1 1 1   -2    6   80 o  117.980   5.2007   96.146   8.3110   92.353   11.693  100.018   11.814  115.594   7.4649  120.365   7.2432 -4.770439 10.40137 
1 1 1   -2    6   81 o  148.088   5.8381  150.138   11.170  144.544   13.743  161.028   19.173  144.639   7.0114  151.537   9.3367 -6.897507 11.67620 
1 1 1   -2    6   82 o  130.408   5.9448  116.013   10.027  109.714   12.312  128.423   17.281  125.797   7.2221  135.018   9.4449 -9.220184 11.88969 
1 1 1   -2    6   83 o   86.796   7.3613   53.459   8.2533   54.821   13.992   52.732   10.221   86.978   11.871   86.614   8.7077 0.3636703 14.72253 
1 1 1   -2    6   84 f   69.296   8.6694   35.582   7.5085   35.894   12.853   35.420   9.2512   68.061   14.386   70.530   9.6792 -2.468925 17.33887 
1 1 1   -2    6   85 o   70.925   8.4816   37.620   7.5119   36.734   12.716   38.096   9.3101   68.749   14.122   73.100   9.3984 -4.350342 16.96317 
1 1 1   -2    6   86 o   87.432   8.8265   54.361   10.458   0.0000   0.0000   54.361   10.458  ?   ?    87.432   8.8265      ?      ? 
1 1 1   -2    6   87 o   98.653   7.9887   71.816   10.645   66.695   15.210   76.734   14.904   94.812   11.838  102.494   10.730 -7.681488 15.97749 
1 1 1   -2    6   88 o   42.464   16.546   12.307   13.720   0.0000   0.0000   12.307   13.720  ?   ?    42.464   16.546      ?      ? 
1 1 1   -2    6   89 o   33.524   9.6074  -0.6606   8.2961   14.401   11.173 -19.1644   12.385   43.190   15.280   23.858   11.650 19.33195 19.21470 
1 1 1   -2    6   90 o  105.182   8.5315   81.410   11.976   65.848   15.628  103.553   18.643   93.026   12.397  117.338   11.724 -24.31247 17.06297 
1 1 1   -2    6   91 o   35.999   10.640   6.0787   8.7164   8.1065   11.601   3.4504   13.208   37.042   14.959   34.956   15.136 2.085743 21.28083 
1 1 1   -2    6   92 o   80.046   10.573   52.301   11.042   29.963   14.772   80.585   16.623   57.576   17.434  102.517   11.965 -44.94095 21.14533 
1 1 1   -2    6   93 o   48.604   11.722   19.999   9.5496   12.616   12.848   29.113   14.274   40.816   15.982   56.392   17.152 -15.57587 23.44343 
1 1 1   -2    6   94 o   57.881   16.881   31.070   14.057   31.070   14.057   0.0000   0.0000   57.881   16.881  ?   ?       ?      ? 
1 1 1   -2    6   95 o   45.651   16.989   19.415   14.052   19.415   14.052   0.0000   0.0000   45.651   16.989  ?   ?       ?      ? 
1 1 1   -2    6   96 f   48.952   17.383   24.193   14.474   24.193   14.474   0.0000   0.0000   48.952   17.383  ?   ?       ?      ? 
1 1 1   -2    6   97 o   32.195   14.462   2.9007   13.150   2.9007   13.150   0.0000   0.0000   32.195   14.462  ?   ?       ?      ? 
1 1 1   -2    7    1 o   49.910   5.7801   17.219   3.8065   18.436   5.2899   15.913   5.4817   52.141   7.4865   47.679   8.8086 4.462143 11.56025 
1 1 1   -2    7    2 o  499.355   6.3378  1690.29   42.871  1748.81   61.588  1635.27   59.714  507.735   8.9510  490.975   8.9750 16.75992 12.67565 
1 1 1   -2    7    3 o  660.891   7.8734  2963.80   70.501  3028.23  100.825  2902.15   98.619  667.917   11.139  653.865   11.130 14.05115 15.74679 
1 1 1   -2    7    4 o  849.962   9.7705  4907.94  112.529  4856.81  157.905  4960.69  160.404  845.471   13.782  854.453   13.853 -8.981689 19.54104 
1 1 1   -2    7    5 f  617.374   7.4492  2586.70   62.321  2594.64   88.140  2578.75   88.132  618.324   10.519  616.424   10.550 1.899963 14.89835 
1 1 1   -2    7    6 f  774.476   9.0134  4067.18   94.520  4239.03  137.064  3911.35  130.519  790.043   12.802  758.910   12.691 31.13373 18.02680 
1 1 1   -2    7    7 o  593.215   7.2171  2386.34   57.997  2328.87   80.750  2447.57   83.354  585.846   10.171  600.584   10.242 -14.73792 14.43418 
1 1 1   -2    7    8 o  372.374   5.2474  940.245   26.479  946.222   37.450  934.271   37.443  373.558   7.3979  371.190   7.4438 2.368256 10.49470 
1 1 1   -2    7    9 o  617.359   8.5642  2541.46   61.364  2499.64   70.205  2676.86  126.314  607.089   8.5336  627.628   14.851 -20.53888 17.12844 
1 1 1   -2    7   10 o  447.569   6.7636  1355.68   35.573  1352.44   41.081  1365.36   71.117  446.636   6.7874  448.503   11.701 -1.866180 13.52711 
1 1 1   -2    7   11 o  733.342   9.8986  3607.65   84.518  3565.48   96.952  3741.15  172.501  724.971   9.8686  741.712   17.162 -16.74078 19.79725 
1 1 1   -2    7   12 o  182.086   4.8860  219.244   11.438  208.174   13.943  242.020   20.000  175.246   5.8712  188.926   7.8117 -13.67984 9.772081 
1 1 1   -2    7   13 o  760.159   10.210  3887.56   90.533  3852.39  104.012  3997.48  183.886  753.585   10.185  766.733   17.698 -13.14783 20.41941 
1 1 1   -2    7   14 o  301.992   5.4424  621.816   19.452  625.530   22.595  611.178   38.238  303.792   5.4884  300.192   9.3997 3.600220 10.88470 
1 1 1   -2    7   15 o  479.216   7.5135  1551.31   45.949  1538.62   56.101  1577.16   80.086  476.344   8.6909  482.088   12.259 -5.743652 15.02697 
1 1 1   -2    7   16 o  265.301   6.4041  476.650   22.953  426.841   31.840  530.547   33.120  250.882   9.3652  279.719   8.7375 -28.83725 12.80824 
1 1 1   -2    7   17 o  531.644   13.240  1918.27   95.389   0.0000   0.0000  1918.27   95.389  ?   ?   531.644   13.240      ?      ? 
1 1 1   -2    7   18 o  856.650   9.8570  4979.73  114.411  4897.87  160.189  5064.98  163.465  849.467   13.916  863.833   13.964 -14.36511 19.71399 
1 1 1   -2    7   19 o  152.451   4.1643  157.461   8.6013  153.201   12.035  161.908   12.297  150.344   5.9073  154.558   5.8712 -4.213348 8.328650 
1 1 1   -2    7   20 o  1240.51   13.841 10461.11  232.676 10421.27  328.183 10501.37  329.931  1238.14   19.560  1242.88   19.589 -4.742920 27.68234 
1 1 1   -2    7   21 o  607.614   7.3977  2498.72   60.847  2388.67   83.747  2621.77   88.555  593.474   10.413  621.753   10.510 -28.27863 14.79531 
1 1 1   -2    7   22 o  1012.11   11.440  6955.62  156.899  6904.53  220.730  7007.80  223.066  1008.36   16.153  1015.86   16.204 -7.505798 22.87999 
1 1 1   -2    7   23 o  264.072   4.5399  472.667   16.246  474.010   22.899  471.306   23.052  264.450   6.3899  263.694   6.4509 0.7563171 9.079888 
1 1 1   -2    7   24 o  705.802   10.275  3413.67   93.170  3486.18  115.417  3278.04  157.857  716.871   11.881  694.734   16.767 22.13708 20.54983 
1 1 1   -2    7   25 f  236.993   5.5025  373.604   16.320  362.664   19.487  399.291   29.862  231.315   6.2168  242.670   9.0808 -11.35471 11.00498 
1 1 1   -2    7   26 o  589.329   8.8056  2341.92   66.129  2314.34   80.557  2398.89  115.795  584.175   10.176  594.484   14.374 -10.30939 17.61114 
1 1 1   -2    7   27 o  514.431   7.9959  1822.60   53.099  1890.72   66.425  1702.03   88.375  528.045   9.2828  500.817   13.022 27.22745 15.99172 
1 1 1   -2    7   28 o  559.008   6.9359  2119.16   52.541  2131.73   74.511  2106.73   74.100  560.656   9.8071  557.359   9.8107 3.297607 13.87184 
1 1 1   -2    7   29 o  181.275   4.3044  222.733   10.574  221.673   14.946  223.795   14.961  180.843   6.0989  181.707   6.0757 -0.8639069 8.608772 
1 1 1   -2    7   30 o  219.321   4.4120  325.688   13.100  306.222   18.225  346.501   18.844  212.546   6.3273  226.096   6.1505 -13.54948 8.824023 
1 1 1   -2    7   31 o  204.894   6.1721  284.570   17.137  284.570   17.137   0.0000   0.0000  204.894   6.1721  ?   ?       ?      ? 
1 1 1   -2    7   32 o  487.552   6.3013  1612.08   41.632  1610.04   58.850  1614.12   58.904  487.243   8.9129  487.860   8.9097 -0.6170654 12.60251 
1 1 1   -2    7   33 o  530.354   6.7177  1907.74   48.278  1887.65   67.894  1928.29   68.663  527.531   9.4973  533.179   9.5032 -5.648010 13.43536 
1 1 1   -2    7   34 o  717.073   8.4724  3490.38   82.328  3471.29  116.073  3509.70  116.788  715.100   11.978  719.045   11.986 -3.944214 16.94475 
1 1 1   -2    7   35 o  246.757   5.5796  413.690   17.638  410.531   30.322  415.306   21.684  246.010   9.0954  247.505   6.4652 -1.495331 11.15911 
1 1 1   -2    7   36 o  356.298   7.4279  860.833   35.864   0.0000   0.0000  860.833   35.864  ?   ?   356.298   7.4279      ?      ? 
1 1 1   -2    7   37 o  540.301   8.3398  1964.12   57.165  2033.34  101.217  1931.70   69.269  547.033   13.654  533.569   9.5801 13.46423 16.67959 
1 1 1   -2    7   38 o  400.262   5.6019  1086.33   30.381  1064.41   42.561  1109.11   43.380  396.146   7.9282  404.379   7.9163 -8.232941 11.20376 
1 1 1   -2    7   39 o  209.749   4.4987  298.316   12.786  294.316   18.070  302.327   18.096  208.340   6.4002  211.158   6.3239 -2.818253 8.997475 
1 1 1   -2    7   40 o  154.629   4.5262  161.980   9.4795  169.030   13.635  155.384   13.188  157.883   6.3730  151.375   6.4289 6.508347 9.052435 
1 1 1   -2    7   41 o  293.443   6.8816  584.030   27.365  584.030   27.365   0.0000   0.0000  293.443   6.8816  ?   ?       ?      ? 
1 1 1   -2    7   42 o  483.148   6.3333  1584.26   41.461  1614.55   59.101  1554.91   58.180  487.696   8.9426  478.601   8.9706 9.094421 12.66654 
1 1 1   -2    7   43 o  133.949   5.9525  120.495   9.9781  118.472   11.949  125.154   18.137  132.157   6.6720  135.742   9.8596 -3.585602 11.90491 
1 1 1   -2    7   44 o  148.646   4.5319  149.892   9.1198  141.229   12.812  158.790   12.985  144.288   6.5522  153.003   6.2626 -8.715317 9.063733 
1 1 1   -2    7   45 o  301.788   4.9131  617.970   20.092  612.770   28.332  623.230   28.498  300.510   6.9573  303.066   6.9389 -2.555176 9.826137 
1 1 1   -2    7   46 o  116.961   4.8085   92.669   7.6055  101.477   10.987   84.564   10.539  122.292   6.6295  111.629   6.9669 10.66320 9.617060 
1 1 1   -2    7   47 o  393.460   5.5723  1050.86   29.706  1076.13   42.444  1026.59   41.590  398.097   7.8676  388.824   7.8931 9.273132 11.14454 
1 1 1   -2    7   48 o  388.143   6.7335  1028.29   33.594  1037.21   41.501  1011.34   57.212  390.805   7.8364  385.481   10.952 5.324524 13.46707 
1 1 1   -2    7   49 o  110.340   5.8356   84.063   8.3991   88.130   10.680   77.471   13.598  113.939   6.9170  106.741   9.4006 7.197861 11.67119 
1 1 1   -2    7   50 f  202.443   4.5311  278.206   12.428  271.425   17.566  285.001   17.584  199.968   6.4824  204.917   6.3324 -4.948471 9.062100 
1 1 1   -2    7   51 o  171.909   4.5582  200.658   10.616  197.156   15.077  204.102   14.951  170.416   6.5287  173.401   6.3628 -2.984604 9.116375 
1 1 1   -2    7   52 o  617.563   7.5830  2598.32   63.460  2584.20   89.504  2612.60   89.989  615.875   10.724  619.251   10.724 -3.375610 15.16592 
1 1 1   -2    7   53 o  410.549   7.0553  1146.51   36.952  1151.72   64.230  1143.93   45.177  410.898   11.535  410.200   8.1271 0.6982117 14.11061 
1 1 1   -2    7   54 o  211.091   5.6137  300.960   15.108  308.791   26.433  297.161   18.412  212.999   9.1577  209.183   6.4953 3.816147 11.22731 
1 1 1   -2    7   55 o  233.240   9.3974  370.457   29.703  370.457   29.703   0.0000   0.0000  233.240   9.3974  ?   ?       ?      ? 
1 1 1   -2    7   56 o   91.615   6.7953   54.490   7.9107   64.928   14.364   49.946   9.4776   97.545   10.866   85.685   8.1622 11.85941 13.59052 
1 1 1   -2    7   57 o  136.412   4.7890  126.498   8.8407  118.150   12.436  135.029   12.571  131.849   6.9600  140.975   6.5802 -9.126297 9.578091 
1 1 1   -2    7   58 o  159.333   4.6592  172.514   10.059  169.567   14.202  175.481   14.250  157.964   6.6345  160.702   6.5433 -2.737518 9.318312 
1 1 1   -2    7   59 o  199.236   5.8161  269.274   14.654  267.576   17.752  272.905   25.963  198.421   6.6022  200.051   9.5769 -1.631088 11.63210 
1 1 1   -2    7   60 o  126.161   4.9842  108.134   8.5081  116.829   12.229   99.976   11.845  131.083   6.8841  121.240   7.2095 9.842964 9.968371 
1 1 1   -2    7   61 o  180.290   4.6780  221.002   11.428  218.727   16.220  223.245   16.104  179.364   6.6730  181.217   6.5579 -1.853622 9.356016 
1 1 1   -2    7   62 o  192.275   4.7345  251.387   12.336  252.122   17.534  250.667   17.358  192.551   6.7197  191.999   6.6713 0.5515289 9.468932 
1 1 1   -2    7   63 o  278.359   4.9723  527.127   18.753  513.699   26.388  540.829   26.655  274.768   7.0870  281.949   6.9764 -7.180573 9.944594 
1 1 1   -2    7   64 o  365.545   5.5004  909.430   27.236  877.797   37.913  943.162   39.151  358.978   7.7936  372.112   7.7640 -13.13321 11.00087 
1 1 1   -2    7   65 o  234.129   4.8155  372.272   15.259  399.493   22.089  347.428   21.103  242.311   6.7271  225.947   6.8921 16.36427 9.630917 
1 1 1   -2    7   66 f  233.104   5.6871  353.540   17.034  320.939   20.614  423.730   30.246  217.115   7.0062  249.093   8.9603 -31.97813 11.37429 
1 1 1   -2    7   67 o  218.744   5.7831  329.674   16.422  338.082   20.620  315.091   27.156  222.827   6.8286  214.661   9.3352 8.166306 11.56615 
1 1 1   -2    7   68 o  113.814   5.4231   88.236   8.3489   90.327   12.239   86.415   11.418  115.055   7.8498  112.572   7.4848 2.483086 10.84622 
1 1 1   -2    7   69 o  131.885   10.301  119.421   18.410  119.421   18.410   0.0000   0.0000  131.885   10.301  ?   ?       ?      ? 
1 1 1   -2    7   70 o  162.509   4.8492  180.044   10.676  182.721   15.305  177.508   14.900  163.678   6.9003  161.339   6.8150 2.338470 9.698360 
1 1 1   -2    7   71 o   91.613   6.2311   58.663   7.5693   46.408   10.959   69.845   10.467   82.150   9.8440  101.076   7.6420 -18.92637 12.46212 
1 1 1   -2    7   72 o  357.882   6.7905  880.021   30.938  885.825   53.959  877.178   37.762  357.807   11.128  357.956   7.7847 -0.1490784 13.58092 
1 1 1   -2    7   73 o   42.110   8.2497   9.4864   6.2668  -4.8387   8.7283   24.728   9.0032   25.549   11.600   58.671   11.734 -33.12235 16.49944 
1 1 1   -2    7   74 o  194.999   6.0548  259.413   14.923  255.493   18.042  267.904   26.555  193.213   6.8906  196.785   9.9581 -3.571686 12.10968 
1 1 1   -2    7   75 o  115.545   5.3682   91.815   8.3856   84.443   11.839   99.235   11.879  110.824   7.8834  120.266   7.2886 -9.442085 10.73648 
1 1 1   -2    7   76 o   78.897   6.4865   43.288   6.8970   38.407   9.7971   48.083   9.7112   74.364   9.7220   83.430   8.5895 -9.066101 12.97295 
1 1 1   -2    7   77 o   79.403   6.3907   43.745   6.8607   47.741   9.8183   39.932   9.5908   83.010   8.7282   75.797   9.3373 7.212799 12.78147 
1 1 1   -2    7   78 o  143.992   6.0904  143.826   11.224  144.206   19.335  143.632   13.783  143.565   9.9383  144.418   7.0429 -0.8536987 12.18086 
1 1 1   -2    7   79 o   72.634   8.9838   32.448   8.0762   20.987   9.5696   60.815   15.055   52.956   13.341   92.312   12.035 -39.35670 17.96759 
1 1 1   -2    7   80 o   39.149   9.2920   10.694   5.8458   12.062   8.1347   9.2327   8.4064   40.882   13.029   37.416   13.252 3.465382 18.58408 
1 1 1   -2    7   81 o   57.021   10.610   24.948   8.5959   16.591   11.963   33.866   12.359   47.321   15.848   66.720   14.110 -19.39957 21.21917 
1 1 1   -2    7   82 o  111.213   7.6700   88.749   11.551   92.988   16.409   84.586   16.263  113.971   10.624  108.455   11.065 5.516411 15.33994 
1 1 1   -2    7   83 o   44.994   10.254   13.503   7.0390   22.707   11.900   8.5503   8.7300   53.575   15.505   36.412   13.422 17.16242 20.50715 
1 1 1   -2    7   84 o   33.055   13.778   3.6634   10.249   0.0000   0.0000   3.6634   10.249  ?   ?    33.055   13.778      ?      ? 
1 1 1   -2    7   85 o   54.289   9.5344   24.893   7.4081   12.925   12.584   31.239   9.1642   42.870   16.053   65.708   10.292 -22.83775 19.06875 
1 1 1   -2    7   86 o   54.975   16.906   25.230   13.820   0.0000   0.0000   25.230   13.820  ?   ?    54.975   16.906      ?      ? 
1 1 1   -2    7   87 o   79.814   10.112   48.360   10.391   28.997   13.568   75.821   16.159   58.810   16.405  100.817   11.827 -42.00666 20.22394 
1 1 1   -2    7   88 o  114.603   8.1425   95.683   12.469   77.391   16.389  120.824   19.213  101.530   11.911  127.676   11.105 -26.14676 16.28497 
1 1 1   -2    7   89 o   95.381   8.8172   69.118   11.329   67.270   15.158   71.455   17.053   94.461   11.842   96.300   13.067 -1.838295 17.63446 
1 1 1   -2    7   90 o   54.693   10.225   19.726   9.3395   0.8655   11.990   48.823   14.893   32.119   14.153   77.267   14.762 -45.14811 20.45017 
1 1 1   -2    7   91 o   53.284   11.859   25.270   9.5854   26.728   12.868   23.451   14.367   55.319   16.156   51.249   17.366 4.069611 23.71899 
1 1 1   -2    7   92 o   56.992   11.994   29.028   9.9574   24.057   13.254   35.471   15.088   51.698   16.647   62.286   17.272 -10.58860 23.98884 
1 1 1   -2    7   93 o   40.477   10.991   10.141   9.2966  -1.1374   12.678   23.260   13.673   30.882   14.005   50.071   16.942 -19.18872 21.98100 
1 1 1   -2    7   94 o   48.329   16.999   22.283   13.810   22.283   13.810   0.0000   0.0000   48.329   16.999  ?   ?       ?      ? 
1 1 1   -2    7   95 o   38.259   16.020   10.963   13.944   10.963   13.944   0.0000   0.0000   38.259   16.020  ?   ?       ?      ? 
1 1 1   -2    7   96 o   51.038   17.434   27.555   14.481   27.555   14.481   0.0000   0.0000   51.038   17.434  ?   ?       ?      ? 
1 1 1   -2    7   97 o   33.409   15.014   5.1114   14.189   5.1114   14.189   0.0000   0.0000   33.409   15.014  ?   ?       ?      ? 
1 1 1   -2    8    1 f  150.143   4.1750  152.906   8.4886  157.689   11.918  147.981   12.093  152.529   5.7661  147.757   6.0395 4.772293 8.350039 
1 1 1   -2    8    2 o  899.851   12.612  5478.27  144.489  5578.60  253.051  5429.74  176.000  905.456   20.623  894.246   14.524 11.21027 25.22409 
1 1 1   -2    8    3 o  1143.28   18.202  8904.86  281.825  8638.10  390.287  9195.50  407.383  1125.45   25.590  1161.11   25.891 -35.65540 36.40322 
1 1 1   -2    8    4 o  606.506   7.3839  2492.64   60.656  2418.99   84.124  2572.39   87.538  597.187   10.395  615.825   10.490 -18.63800 14.76779 
1 1 1   -2    8    5 o  1242.03   13.864 10490.87  233.348 10560.03  331.309 10422.78  328.716  1246.09   19.620  1237.97   19.594 8.118530 27.72874 
1 1 1   -2    8    6 o  610.536   7.4023  2528.08   61.241  2506.87   86.058  2549.84   87.168  607.943   10.446  613.130   10.491 -5.186157 14.80470 
1 1 1   -2    8    7 o  1096.00   12.322  8162.39  183.006  8170.71  258.850  8154.08  258.770  1096.56   17.419  1095.44   17.432 1.119019 24.64345 
1 1 1   -2    8    8 o  849.923   9.7780  4903.20  112.619  4909.09  159.253  4897.30  159.283  850.435   13.819  849.411   13.838 1.023804 19.55604 
1 1 1   -2    8    9 o  482.970   6.2225  1581.24   40.720  1558.86   57.025  1604.53   58.166  479.485   8.7763  486.455   8.8236 -6.969879 12.44502 
1 1 1   -2    8   10 o  443.332   6.7402  1309.75   34.848  1288.22   39.958  1378.15   71.222  435.943   6.7639  450.721   11.661 -14.77780 13.48036 
1 1 1   -2    8   11 o  689.616   9.9990  3173.69   87.210  3081.24  105.080  3378.30  156.329  673.956   11.506  705.275   16.357 -31.31836 19.99803 
1 1 1   -2    8   12 o  1359.80   30.327 12629.18  558.836   0.0000   0.0000 12629.18  558.836  ?   ?   1359.80   30.327      ?      ? 
1 1 1   -2    8   13 o  553.377   9.7611  2075.60   73.151  1985.62  101.440  2173.08  105.586  540.897   13.839  565.857   13.769 -24.96069 19.52230 
1 1 1   -2    8   14 o   80.556   5.5386   43.403   5.4409   42.663   6.3948   45.340   10.355   79.339   5.9478   81.772   9.3450 -2.433167 11.07722 
1 1 1   -2    8   15 o  530.512   7.6547  1888.44   47.414  1869.00   54.477  1949.16   96.287  525.074   7.6561  535.951   13.257 -10.87646 15.30940 
1 1 1   -2    8   16 o  394.799   6.3090  1059.51   29.357  1062.31   33.996  1051.33   58.215  395.890   6.3368  393.709   10.911 2.181458 12.61792 
1 1 1   -2    8   17 o  143.440   4.9597  142.687   8.4259  146.279   9.8403  132.815   16.312  146.917   4.9426  139.963   8.6003 6.953918 9.919391 
1 1 1   -2    8   18 o  969.875   11.041  6385.49  145.101  6473.38  206.907  6300.44  203.542  976.438   15.637  963.312   15.592 13.12555 22.08216 
1 1 1   -2    8   19 o  572.474   7.0502  2222.00   54.689  2259.46   77.960  2185.71   76.737  577.224   9.9666  567.725   9.9744 9.498596 14.10038 
1 1 1   -2    8   20 o  756.996   12.495  3887.91  128.178  3887.91  128.178   0.0000   0.0000  756.996   12.495  ?   ?       ?      ? 
1 1 1   -2    8   21 o  608.489   10.459  2511.12   86.245  2511.12   86.245   0.0000   0.0000  608.489   10.459  ?   ?       ?      ? 
1 1 1   -2    8   22 o  413.511   6.8684  1151.29   36.183  1135.69   44.046  1183.66   63.451  409.292   7.9414  417.730   11.209 -8.438629 13.73688 
1 1 1   -2    8   23 o  377.794   10.663  968.078   54.592   0.0000   0.0000  968.078   54.592  ?   ?   377.794   10.663      ?      ? 
1 1 1   -2    8   25 o  382.579   7.6757  992.302   39.794   0.0000   0.0000  992.302   39.794  ?   ?   382.579   7.6757      ?      ? 
1 1 1   -2    8   26 f  440.493   5.8847  1314.65   35.114  1276.32   48.867  1355.56   50.489  433.861   8.3116  447.125   8.3327 -13.26404 11.76933 
1 1 1   -2    8   28 o  486.054   6.3013  1601.19   41.492  1557.92   57.844  1647.06   59.549  479.294   8.9059  492.815   8.9168 -13.52066 12.60254 
1 1 1   -2    8   29 f  312.943   4.9534  663.948   21.006  662.034   29.688  665.867   29.727  312.491   7.0107  313.394   6.9996 -0.9035645 9.906790 
1 1 1   -2    8   30 o  794.009   9.2457  4280.57   99.479  4318.89  141.417  4243.04  139.963  797.526   13.085  790.493   13.066 7.032532 18.49136 
1 1 1   -2    8   31 o  313.364   7.0269  665.790   29.840   0.0000   0.0000  665.790   29.840  ?   ?   313.364   7.0269      ?      ? 
1 1 1   -2    8   32 o  234.118   5.4249  367.764   16.340  384.060   28.190  359.519   20.053  237.954   8.7422  230.283   6.4258 7.672058 10.84970 
1 1 1   -2    8   33 o  304.426   6.9287  628.370   28.583   0.0000   0.0000  628.370   28.583  ?   ?   304.426   6.9287      ?      ? 
1 1 1   -2    8   34 o  449.784   8.4995  1372.28   51.806   0.0000   0.0000  1372.28   51.806  ?   ?   449.784   8.4995      ?      ? 
1 1 1   -2    8   35 o  286.518   4.8045  556.608   18.653  563.734   26.508  549.619   26.254  288.334   6.7843  284.701   6.8048 3.633148 9.608925 
1 1 1   -2    8   36 o  236.727   4.5772  379.889   14.679  366.320   20.592  393.907   20.929  232.429   6.5379  241.025   6.4079 -8.596527 9.154482 
1 1 1   -2    8   37 o  504.388   6.4910  1726.48   44.366  1739.40   63.010  1713.78   62.480  506.259   9.1844  502.517   9.1750 3.741516 12.98209 
1 1 1   -2    8   38 o  106.601   5.0464   76.984   7.2855   80.181   10.520   74.038   10.100  108.725   7.1399  104.477   7.1336 4.247894 10.09287 
1 1 1   -2    8   39 o  407.997   8.0441  1129.54   44.475  1129.54   44.475   0.0000   0.0000  407.997   8.0441  ?   ?       ?      ? 
1 1 1   -2    8   40 o  156.513   5.7611  165.565   11.381  164.381   13.758  168.130   20.255  155.676   6.5217  157.350   9.4990 -1.673767 11.52229 
1 1 1   -2    8   41 o  136.663   5.9204  126.898   10.153  127.089   12.240  126.477   18.179  136.876   6.5988  136.449   9.8316 0.4261169 11.84085 
1 1 1   -2    8   42 o  464.815   6.1565  1466.93   38.777  1448.45   54.508  1485.88   55.174  461.850   8.7092  467.780   8.7039 -5.929901 12.31291 
1 1 1   -2    8   43 o  397.084   5.6048  1069.99   30.153  1096.39   43.157  1044.81   42.147  401.868   7.9247  392.301   7.9281 9.566803 11.20965 
1 1 1   -2    8   44 o  298.942   4.9182  606.354   19.921  591.289   27.956  621.894   28.394  295.168   6.9892  302.716   6.9215 -7.547485 9.836489 
1 1 1   -2    8   45 o  268.122   4.7648  487.644   17.308  501.629   24.792  474.348   24.174  271.871   6.7292  264.374   6.7476 7.497559 9.529551 
1 1 1   -2    8   46 o  266.828   4.7557  483.262   17.195  480.620   24.382  485.876   24.254  266.100   6.7615  267.556   6.6895 -1.456146 9.511418 
1 1 1   -2    8   47 o  211.083   5.3873  299.482   14.732  292.246   18.217  313.158   25.044  207.505   6.4784  214.661   8.6094 -7.155884 10.77454 
1 1 1   -2    8   48 o  101.278   5.8537   66.932   7.8430   57.551   9.8676   83.026   12.924   92.037   7.9116  110.518   8.6296 -18.48121 11.70744 
1 1 1   -2    8   49 o  309.966   5.0112  652.216   21.042  629.055   29.453  676.364   30.074  304.342   7.1413  315.590   7.0321 -11.24802 10.02240 
1 1 1   -2    8   50 o  244.545   4.6932  406.003   15.551  409.526   22.214  402.618   21.776  245.582   6.6750  243.508   6.5991 2.074219 9.386339 
1 1 1   -2    8   51 o  321.576   6.2954  710.428   25.846  682.575   44.347  724.755   31.806  316.529   10.339  326.622   7.1859 -10.09332 12.59082 
1 1 1   -2    8   52 o  258.945   4.7780  455.567   16.759  439.411   23.682  471.775   23.719  254.334   6.8710  263.556   6.6412 -9.222092 9.555969 
1 1 1   -2    8   53 o  175.103   4.5850  208.067   10.874  217.537   15.620  199.161   15.147  178.968   6.4404  171.237   6.5276 7.731049 9.170009 
1 1 1   -2    8   54 o  122.524   6.0800  100.812   9.4525  106.021   16.788   98.394   11.438  124.720   9.9330  120.328   7.0145 4.391808 12.16008 
1 1 1   -2    8   55 o  595.022   9.1006  2420.94   69.047  2433.25  120.078  2414.86   84.395  595.107   14.890  594.937   10.468 0.1701050 18.20117 
1 1 1   -2    8   56 o   70.766   6.7708   34.176   6.4786   33.498   9.4276   34.783   8.9179   70.084   9.9266   71.447   9.2107 -1.363197 13.54159 
1 1 1   -2    8   57 o  130.767   6.2520  118.268   10.329  121.607   12.616  111.480   17.988  133.743   6.9609  127.790   10.387 5.953400 12.50393 
1 1 1   -2    8   58 o  211.088   4.6527  302.885   13.308  300.554   18.885  305.184   18.757  210.276   6.6274  211.899   6.5321 -1.623077 9.305417 
1 1 1   -2    8   59 o  193.101   4.6781  253.417   12.240  258.107   17.497  248.924   17.128  194.849   6.6266  191.354   6.6051 3.495560 9.356181 
1 1 1   -2    8   60 o  110.869   5.4096   83.871   8.0954   75.171   11.430   92.628   11.468  105.060   8.0283  116.678   7.2527 -11.61729 10.81917 
1 1 1   -2    8   61 o  163.024   4.8690  180.590   10.745  192.556   15.452  169.384   14.953  168.258   6.7767  157.790   6.9932 10.46783 9.737950 
1 1 1   -2    8   62 o  109.382   5.4512   81.983   7.9838   67.022   11.217   97.341   11.366   99.158   8.3480  119.605   7.0122 -20.44709 10.90235 
1 1 1   -2    8   63 o  273.642   4.9392  509.271   18.304  484.848   25.558  534.991   26.228  266.896   7.0664  280.387   6.9028 -13.49084 9.878361 
1 1 1   -2    8   64 o  147.841   4.8979  148.766   9.8081  149.231   14.098  148.330   13.654  148.055   7.0269  147.627   6.8251 0.4275360 9.795868 
1 1 1   -2    8   65 o   87.184   7.1143   51.942   8.1937   51.603   10.466   52.477   13.169   86.917   8.8858   87.450   11.113 -0.5336838 14.22856 
1 1 1   -2    8   66 o  139.615   6.9650  134.247   13.100  123.448   19.053  143.928   18.041  134.162   10.480  145.068   9.1769 -10.90614 13.93002 
1 1 1   -2    8   67 o  165.587   5.9492  187.285   12.500  187.627   21.932  187.120   15.213  165.452   9.7819  165.722   6.7740 -0.2704010 11.89845 
1 1 1   -2    8   68 o  105.536   5.6711   76.917   8.0004   63.133   11.403   90.277   11.227   96.039   8.7620  115.032   7.2023 -18.99351 11.34222 
1 1 1   -2    8   69 o  100.383   5.7042   68.820   7.7533   72.281   11.223   65.660   10.724  102.795   8.0565   97.971   8.0773 4.823189 11.40834 
1 1 1   -2    8   70 o  136.126   5.0969  126.357   9.3905  135.338   13.608  118.192   12.975  140.747   7.1345  131.507   7.2808 9.239975 10.19375 
1 1 1   -2    8   71 o  178.773   5.9919  216.712   13.633  227.117   24.032  211.774   16.555  181.521   9.7695  176.025   6.9402 5.496307 11.98370 
1 1 1   -2    8   72 f   92.094   9.8636   60.557   11.491   39.308   15.571   85.967   17.027   72.970   16.172  111.219   11.298 -38.24899 19.72729 
1 1 1   -2    8   73 o  196.631   4.8413  264.774   12.898  260.279   18.303  269.209   18.178  194.949   6.9282  198.314   6.7641 -3.365524 9.682634 
1 1 1   -2    8   74 o  198.372   6.8233  269.733   18.343   0.0000   0.0000  269.733   18.343  ?   ?   198.372   6.8233      ?      ? 
1 1 1   -2    8   75 o   50.925   8.8909   19.083   6.1595   15.274   8.7257   22.866   8.6960   45.808   13.282   56.041   11.822 -10.23275 17.78184 
1 1 1   -2    8   76 o   65.562   7.6023   30.899   6.5048   25.571   9.2849   36.035   9.1159   59.167   11.991   71.957   9.3485 -12.79021 15.20454 
1 1 1   -2    8   77 f  139.367   5.0579  133.941   9.5518  132.842   13.551  135.025   13.466  138.781   7.2054  139.953   7.1001 -1.171478 10.11584 
1 1 1   -2    8   78 o   67.724   7.1942   32.425   6.5756   29.805   9.4271   34.907   9.1767   64.909   10.717   70.540   9.6000 -5.630867 14.38832 
1 1 1   -2    8   79 o   52.249   8.1510   20.088   6.1668   33.504   8.8606   7.4845   8.5882   69.015   9.4741   35.484   13.266 33.53090 16.30209 
1 1 1   -2    8   80 o   30.385   9.5109  -1.4786   7.5822  -3.0655   12.301  -0.5064   9.6287   31.387   14.051   29.383   12.822 2.003675 19.02181 
1 1 1   -2    8   81 o  121.935   10.197  106.170   16.850   0.0000   0.0000  106.170   16.850  ?   ?   121.935   10.197      ?      ? 
1 1 1   -2    8   82 o  124.903   6.8218  116.925   10.690   93.021   17.713  130.621   13.407  112.970   11.570  136.836   7.2302 -23.86640 13.64360 
1 1 1   -2    8   83 o   88.021   9.5702   59.684   10.897   69.303   15.041   49.058   15.808   97.343   11.402   78.700   15.373 18.64277 19.14037 
1 1 1   -2    8   84 o  115.717   7.9993   97.725   12.503   90.944   16.872  105.984   18.621  111.398   11.176  120.035   11.447 -8.636993 15.99855 
1 1 1   -2    8   85 o   48.909   10.875   15.076   9.3996   0.0250   12.426   35.209   14.372   32.629   14.391   65.188   16.309 -32.55874 21.75073 
1 1 1   -2    8   86 o   64.993   17.177   36.018   15.356   0.0000   0.0000   36.018   15.356  ?   ?    64.993   17.177      ?      ? 
1 1 1   -2    8   87 o   41.974   10.825   9.2241   8.6885  -0.9835   11.221   24.507   13.730   30.357   13.517   53.591   16.911 -23.23470 21.64924 
1 1 1   -2    8   88 o   65.417   11.110   36.375   9.6785   38.958   12.623   32.692   15.076   69.785   13.837   61.049   17.385 8.735657 22.21983 
1 1 1   -2    8   89 f   48.930   11.997   20.041   9.5472   17.490   12.281   23.938   15.178   45.945   16.038   51.914   17.846 -5.969517 23.99307 
1 1 1   -2    8   90 o   63.761   11.646   36.537   10.294   41.890   13.697   29.588   15.604   70.963   14.725   56.558   18.047 14.40463 23.29255 
1 1 1   -2    8   91 o   81.888   10.452   56.283   11.200   59.835   15.130   51.977   16.659   86.948   12.841   76.828   16.494 10.12054 20.90355 
1 1 1   -2    8   92 o   47.137   11.069   16.810   9.6160   1.6949   13.038   34.842   14.240   32.731   14.573   61.543   16.664 -28.81172 22.13735 
1 1 1   -2    8   93 o   64.334   11.980   39.229   10.623   35.860   14.975   42.641   15.073   60.890   17.323   67.778   16.553 -6.888042 23.96005 
1 1 1   -2    8   94 o   34.951   15.169   6.5514   13.327   6.5514   13.327   0.0000   0.0000   34.951   15.169  ?   ?       ?      ? 
1 1 1   -2    8   95 o   48.502   17.137   24.724   14.050   24.724   14.050   0.0000   0.0000   48.502   17.137  ?   ?       ?      ? 
1 1 1   -2    8   96 o   72.981   16.595   53.408   16.041   53.408   16.041   0.0000   0.0000   72.981   16.595  ?   ?       ?      ? 
1 1 1   -2    9    1 o  990.765   11.240  6655.01  150.776  6420.98  208.035  6913.97  218.833  972.458   15.786  1009.07   16.003 -36.61261 22.47921 
1 1 1   -2    9    2 o  335.540   5.0562  763.128   22.986  760.642   32.167  765.722   32.858  334.983   7.0861  336.097   7.2144 -1.114166 10.11237 
1 1 1   -2    9    3 o   90.424   4.8962   55.028   5.9771   50.768   8.0425   60.285   8.9334   86.543   6.8577   94.306   6.9903 -7.763062 9.792434 
1 1 1   -2    9    4 o  280.682   4.6962  534.155   17.857  546.845   25.178  521.310   25.331  284.039   6.5412  277.325   6.7402 6.713928 9.392397 
1 1 1   -2    9    5 o  289.308   6.8022  567.339   26.668   0.0000   0.0000  567.339   26.668  ?   ?   289.308   6.8022      ?      ? 
1 1 1   -2    9    6 o  1245.35   27.878 10576.67  470.467   0.0000   0.0000 10576.67  470.467  ?   ?   1245.35   27.878      ?      ? 
1 1 1   -2    9    7 o  439.006   11.772  1307.37   70.031   0.0000   0.0000  1307.37   70.031  ?   ?   439.006   11.772      ?      ? 
1 1 1   -2    9    8 o  636.770   15.465  2752.89  133.451   0.0000   0.0000  2752.89  133.451  ?   ?   636.770   15.465      ?      ? 
1 1 1   -2    9    9 o  737.321   10.629  3714.14  100.951  3613.67  170.705  3768.17  125.188  729.380   17.271  745.262   12.396 -15.88116 21.25861 
1 1 1   -2    9   10 o  960.803   13.361  6141.44  161.548  6628.54  293.167  5929.03  193.592  987.086   21.917  934.519   15.287 52.56702 26.72140 
1 1 1   -2    9   11 o  355.179   6.3978  866.263   29.150  890.581   36.120  820.837   49.367  362.461   7.3536  347.897   10.471 14.56381 12.79550 
1 1 1   -2    9   12 o  753.208   10.801  3854.08  103.965  3859.00  127.417  3844.28  179.830  754.177   12.467  752.239   17.641 1.938354 21.60183 
1 1 1   -2    9   13 o  1095.60   15.119  8181.96  211.953  8216.89  260.317  8113.27  365.079  1099.79   17.467  1091.41   24.684 8.380005 30.23890 
1 1 1   -2    9   14 o  403.379   6.8069  1099.43   35.002  1091.81   42.702  1115.04   61.104  401.310   7.8521  405.449   11.121 -4.138885 13.61377 
1 1 1   -2    9   15 o  495.708   7.4012  1695.56   43.553  1727.96   50.845  1606.27   84.406  504.876   7.4315  486.540   12.802 18.33597 14.80245 
1 1 1   -2    9   16 f  734.638   12.209  3661.68  121.549  3661.68  121.549   0.0000   0.0000  734.638   12.209  ?   ?       ?      ? 
1 1 1   -2    9   17 o  1192.76   15.418  9660.62  249.206  9660.62  249.206   0.0000   0.0000  1192.76   15.418  ?   ?       ?      ? 
1 1 1   -2    9   18 o  364.923   6.1051  902.558   26.195  902.172   30.274  903.710   52.253  364.831   6.1234  365.015   10.564 -0.1836548 12.21016 
1 1 1   -2    9   19 o  320.876   5.7526  706.058   21.826  714.625   25.379  681.728   42.770  324.708   5.7677  317.045   9.9550 7.663055 11.50515 
1 1 1   -2    9   20 o  183.013   5.0691  232.561   11.026  238.862   12.908  215.553   21.207  187.733   5.0738  178.292   8.7773 9.440933 10.13828 
1 1 1   -2    9   21 o  439.170   8.3189  1307.77   49.509  1307.77   49.509   0.0000   0.0000  439.170   8.3189  ?   ?       ?      ? 
1 1 1   -2    9   22 o  309.495   4.8949  649.307   20.528  661.794   29.163  637.045   28.900  312.445   6.8878  306.546   6.9570 5.899445 9.789862 
1 1 1   -2    9   23 o  360.374   5.2626  880.360   25.698  866.190   36.090  894.934   36.601  357.433   7.4509  363.315   7.4341 -5.882629 10.52526 
1 1 1   -2    9   24 o  270.835   4.6796  497.052   17.170  513.295   24.545  481.486   24.028  275.167   6.5824  266.503   6.6533 8.663940 9.359197 
1 1 1   -2    9   25 o  508.561   6.4976  1754.14   44.778  1770.96   63.602  1737.61   63.054  510.978   9.1851  506.145   9.1929 4.833893 12.99523 
1 1 1   -2    9   26 o  205.542   4.4330  286.286   12.344  295.297   17.641  277.640   17.280  208.710   6.2373  202.373   6.3010 6.336990 8.866044 
1 1 1   -2    9   27 f  439.594   5.9164  1310.10   35.238  1339.51   50.404  1281.98   49.283  444.418   8.3694  434.771   8.3648 9.647064 11.83283 
1 1 1   -2    9   28 o  158.072   5.2407  166.056   10.735  180.768   18.398  158.462   13.218  163.258   8.3160  152.885   6.3798 10.37387 10.48133 
1 1 1   -2    9   29 o  191.019   5.4536  254.173   13.402  224.634   22.100  271.354   16.855  181.974   8.9620  200.065   6.2168 -18.09068 10.90713 
1 1 1   -2    9   31 o  144.296   5.9744  140.706   10.719  142.595   19.593  139.899   12.805  144.952   9.9747  143.641   6.5785 1.311142 11.94872 
1 1 1   -2    9   32 o  782.695   9.1499  4162.94   97.049  4157.29  137.102  4168.62  137.395  782.162   12.935  783.226   12.945 -1.063904 18.29982 
1 1 1   -2    9   33 o  441.212   5.9636  1320.65   35.655  1304.66   50.182  1336.95   50.669  438.515   8.4447  443.910   8.4230 -5.394745 11.92729 
1 1 1   -2    9   34 o  342.160   7.3527  794.113   34.092   0.0000   0.0000  794.113   34.092  ?   ?   342.160   7.3527      ?      ? 
1 1 1   -2    9   35 o  378.716   5.4642  972.019   28.028  1010.54   40.403  936.288   38.914  385.940   7.7253  371.491   7.7299 14.44913 10.92842 
1 1 1   -2    9   36 o  519.712   6.6339  1833.56   46.717  1859.91   66.586  1808.01   65.563  523.389   9.3880  516.036   9.3755 7.353027 13.26786 
1 1 1   -2    9   37 o  417.176   7.1139  1189.88   37.929  1205.74   46.636  1158.87   65.190  421.491   8.1649  412.861   11.652 8.630188 14.22781 
1 1 1   -2    9   38 o  290.602   6.0888  581.816   22.532  599.180   27.729  548.069   38.659  297.183   6.8855  284.021   10.044 13.16241 12.17762 
1 1 1   -2    9   39 o  491.209   6.3983  1638.76   42.591  1633.37   60.187  1644.17   60.278  490.399   9.0567  492.019   9.0405 -1.620392 12.79669 
1 1 1   -2    9   40 f  268.365   4.7742  488.357   17.352  465.095   24.232  512.837   24.859  261.806   6.8301  274.924   6.6725 -13.11801 9.548454 
1 1 1   -2    9   41 o  546.060   6.8998  2023.48   51.015  2116.25   73.956  1939.27   70.462  557.977   9.7808  534.144   9.7346 23.83270 13.79951 
1 1 1   -2    9   42 o  141.919   4.6669  136.792   8.9680  132.611   12.809  140.811   12.560  139.785   6.7621  144.053   6.4338 -4.267883 9.333835 
1 1 1   -2    9   43 o  243.940   4.6514  403.780   15.368  385.628   21.565  422.510   21.906  238.365   6.6760  249.515   6.4786 -11.15059 9.302761 
1 1 1   -2    9   44 o  138.074   4.6707  129.445   8.7347  127.745   12.507  131.064   12.204  137.184   6.7275  138.963   6.4808 -1.779480 9.341324 
1 1 1   -2    9   45 o  298.231   5.9419  599.224   22.799  588.150   28.008  620.978   39.255  294.316   7.0223  302.146   9.5872 -7.830109 11.88387 
1 1 1   -2    9   46 o  314.018   6.1461  678.756   24.933  699.452   31.160  641.924   41.568  320.925   7.1649  307.112   9.9881 13.81317 12.29219 
1 1 1   -2    9   47 o  157.420   4.6369  168.127   9.8880  173.108   14.220  163.464   13.759  159.676   6.5716  155.165   6.5434 4.510315 9.273790 
1 1 1   -2    9   48 o  325.035   6.3150  717.017   26.071  723.492   45.763  713.906   31.722  325.896   10.362  324.175   7.2210 1.721283 12.63000 
1 1 1   -2    9   49 o  264.779   6.0014  487.426   20.236  444.663   34.392  510.069   25.026  255.514   9.9326  274.043   6.7389 -18.53003 12.00290 
1 1 1   -2    9   50 o  389.551   5.6115  1031.70   29.621  1039.86   42.185  1023.76   41.601  391.066   7.9602  388.035   7.9113 3.031769 11.22291 
1 1 1   -2    9   51 o  210.568   4.6472  301.212   13.249  284.619   18.624  318.213   18.851  204.685   6.7143  216.451   6.4269 -11.76651 9.294428 
1 1 1   -2    9   52 o  316.079   5.1156  679.055   21.911  683.149   31.184  675.063   30.792  317.017   7.2589  315.142   7.2103 1.874878 10.23129 
1 1 1   -2    9   53 o  170.434   5.7053  194.889   12.322  205.378   21.950  190.063   14.890  173.616   9.3298  167.252   6.5694 6.363922 11.41063 
1 1 1   -2    9   54 o  118.826   6.3343   91.008   9.7691   79.563   11.922  114.404   17.045  108.122   8.1365  129.530   9.7103 -21.40793 12.66858 
1 1 1   -2    9   55 o  103.795   6.8252   73.658   8.9992   74.006   10.978   72.943   15.713  104.289   7.7678  103.300   11.225 0.9890594 13.65042 
1 1 1   -2    9   56 o  193.100   4.6994  253.536   12.292  250.930   17.593  256.022   17.181  192.120   6.7574  194.081   6.5327 -1.960693 9.398844 
1 1 1   -2    9   57 o  189.418   4.7498  243.907   12.178  228.556   17.066  259.837   17.384  183.331   6.8692  195.505   6.5617 -12.17433 9.499587 
1 1 1   -2    9   58 o  289.060   7.1061  568.431   27.836   0.0000   0.0000  568.431   27.836  ?   ?   289.060   7.1061      ?      ? 
1 1 1   -2    9   59 o  222.785   4.8240  337.565   14.562  339.716   20.794  335.496   20.398  223.476   6.8664  222.095   6.7776 1.381393 9.647912 
1 1 1   -2    9   60 o  208.733   4.7641  295.886   13.465  311.134   19.494  281.973   18.620  213.868   6.7261  203.597   6.7488 10.27174 9.528223 
1 1 1   -2    9   61 o   84.995   6.2529   49.549   7.1643   45.494   10.373   53.248   9.9069   81.615   9.3788   88.375   8.2723 -6.760094 12.50570 
1 1 1   -2    9   62 o  146.735   4.9943  146.885   9.9024  134.280   14.019  159.434   13.989  140.410   7.3680  153.061   6.7443 -12.65146 9.988623 
1 1 1   -2    9   63 o   74.876   7.2823   39.770   7.0121   30.828   10.176   47.855   9.6764   66.024   11.807   83.728   8.5282 -17.70412 14.56451 
1 1 1   -2    9   64 o   98.340   7.0705   63.730   8.9058   73.939   15.832   59.004   10.772  103.738   11.262   92.942   8.5524 10.79552 14.14105 
1 1 1   -2    9   65 o  184.797   6.7868  234.879   16.845  197.685   23.649  273.188   24.001  169.737   10.281  199.857   8.8619 -30.12044 13.57360 
1 1 1   -2    9   66 o  113.922   5.4996   88.646   8.4854   88.268   12.195   89.001   11.815  113.670   7.9167  114.174   7.6361 -0.5035629 10.99925 
1 1 1   -2    9   67 o  134.489   5.1221  123.789   9.3107  115.310   13.301  131.935   13.037  129.918   7.5551  139.060   6.9183 -9.142120 10.24417 
1 1 1   -2    9   68 o  105.613   5.7016   76.124   8.1204   87.239   11.825   66.203   11.171  112.931   7.7267   98.295   8.3864 14.63595 11.40328 
1 1 1   -2    9   69 o  119.896   7.2850  108.014   10.593  124.691   13.097   76.461   18.015  135.046   7.1564  104.746   12.691 30.30019 14.56992 
1 1 1   -2    9   70 o  167.335   7.1155  193.357   16.129  187.407   22.467  199.684   23.170  164.679   10.067  169.991   10.058 -5.311447 14.23099 
1 1 1   -2    9   71 o   48.158   10.555   15.099   7.1727   21.466   12.959   12.288   8.6122   54.281   16.305   42.035   13.407 12.24627 21.10963 
1 1 1   -2    9   72 o  142.891   5.0232  140.001   9.7209  146.854   13.866  133.377   13.632  146.356   6.9913  139.426   7.2148 6.930267 10.04649 
1 1 1   -2    9   73 o   65.276   7.6364   30.437   6.5159   25.094   9.2196   35.770   9.2100   58.755   11.985   71.797   9.4662 -13.04154 15.27277 
1 1 1   -2    9   74 o   43.940   8.6494   13.209   5.9367   22.621   8.5491   4.4428   8.2504   55.693   11.700   32.186   12.742 23.50763 17.29888 
1 1 1   -2    9   75 o   31.239   8.7779   3.8318   5.6171   6.2005   8.0559   1.5905   7.8363   33.759   12.799   28.719   12.016 5.040329 17.55572 
1 1 1   -2    9   76 o  110.177   6.3430   82.851   9.2318   76.926   11.646   92.870   15.143  105.265   8.1644  115.089   9.7096 -9.824226 12.68597 
1 1 1   -2    9   77 o   82.737   9.0196   47.922   10.113   0.0000   0.0000   47.922   10.113  ?   ?    82.737   9.0196      ?      ? 
1 1 1   -2    9   78 f  109.042   7.2151   89.604   9.7278   68.932   16.373  100.882   12.094   97.545   12.386  120.539   7.4038 -22.99339 14.43023 
1 1 1   -2    9   79 o   46.937   10.545   16.113   7.2330   18.890   12.485   14.709   8.8738   49.625   16.172   44.248   13.537 5.377110 21.09004 
1 1 1   -2    9   80 o  159.688   6.9776  182.268   15.059  168.560   21.378  195.768   21.216  153.370   10.286  166.007   9.4310 -12.63702 13.95518 
1 1 1   -2    9   81 o  111.200   7.5503   89.488   11.367   86.261   16.196   92.620   15.956  109.034   10.961  113.365   10.387 -4.331001 15.10069 
1 1 1   -2    9   82 o   64.322   11.367   34.316   9.9288   38.372   13.140   28.918   15.158   69.912   14.350   58.732   17.633 11.18088 22.73416 
1 1 1   -2    9   83 o   54.481   11.328   24.866   9.6177   33.789   12.832   13.428   14.528   64.912   14.903   44.049   17.064 20.86282 22.65549 
1 1 1   -2    9   84 o   60.406   11.716   29.523   9.8062   23.762   12.657   38.172   15.509   53.543   16.121   67.268   17.005 -13.72505 23.43202 
1 1 1   -2    9   85 f   58.856   18.017   30.302   15.716   0.0000   0.0000   30.302   15.716  ?   ?    58.856   18.017      ?      ? 
1 1 1   -2    9   86 o   35.386   15.408   2.8075   13.838   0.0000   0.0000   2.8075   13.838  ?   ?    35.386   15.408      ?      ? 
1 1 1   -2    9   87 o   51.277   11.737   22.279   9.1845   20.847   11.895   24.393   14.454   49.767   15.744   52.787   17.410 -3.020061 23.47328 
1 1 1   -2    9   88 o   42.216   11.409   12.475   8.9397   8.2997   11.342   19.324   14.526   36.847   14.822   47.584   17.348 -10.73694 22.81732 
1 1 1   -2    9   89 o   46.758   11.802   18.346   9.4308   14.332   12.477   23.695   14.404   42.376   15.961   51.139   17.388 -8.762623 23.60328 
1 1 1   -2    9   90 o   33.919   10.445   2.3536   8.9671  -2.7262   11.689   9.6185   13.979   29.106   13.295   38.733   16.113 -9.626347 20.89028 
1 1 1   -2    9   91 o   60.776   12.015   34.563   10.255   32.583   13.936   36.902   15.146   59.153   16.670   62.398   17.306 -3.244587 24.02918 
1 1 1   -2    9   92 o   67.439   11.755   43.079   10.926   32.541   15.280   54.103   15.629   56.859   17.825   78.018   15.329 -21.15889 23.51011 
1 1 1   -2    9   93 o   56.413   17.487   32.661   14.753   32.661   14.753   0.0000   0.0000   56.413   17.487  ?   ?       ?      ? 
1 1 1   -2    9   94 o   42.884   16.711   18.680   13.998   18.680   13.998   0.0000   0.0000   42.884   16.711  ?   ?       ?      ? 
1 1 1   -2   10    1 o  274.127   5.7362  510.033   20.013  511.105   24.433  507.846   34.888  274.594   6.5661  273.659   9.4076 0.9347534 11.47244 
1 1 1   -2   10    2 o  554.319   9.7625  2084.87   73.316  2050.98  102.324  2120.62  105.102  549.697   13.736  558.940   13.876 -9.243652 19.52502 
1 1 1   -2   10    3 o  426.858   7.0505  1229.47   38.593  1255.02   66.678  1216.59   47.326  430.115   11.440  423.602   8.2444 6.512451 14.10103 
1 1 1   -2   10    4 o  365.930   5.3170  906.575   26.347  876.188   36.423  939.927   38.158  359.508   7.4762  372.353   7.5623 -12.84467 10.63396 
1 1 1   -2   10    5 o  317.597   4.9743  683.847   21.401  707.482   30.344  660.457   30.187  323.060   6.9313  312.134   7.1366 10.92554 9.948575 
1 1 1   -2   10    6 o  775.858   9.0649  4084.44   95.298  4044.78  133.627  4125.49  135.947  772.030   12.773  779.686   12.867 -7.655579 18.12985 
1 1 1   -2   10    7 o  300.102   4.8718  610.110   19.803  598.640   27.488  622.486   28.554  297.173   6.8258  303.031   6.9533 -5.858307 9.743680 
1 1 1   -2   10    8 o  126.615   4.5997  108.626   7.8821  107.870   10.857  109.469   11.461  126.150   6.3512  127.079   6.6552 -0.9290848 9.199442 
1 1 1   -2   10    9 f  323.377   5.0190  708.637   21.987  699.152   30.628  718.722   31.582  321.147   7.0378  325.608   7.1575 -4.460693 10.03790 
1 1 1   -2   10   10 o  607.330   9.1784  2538.36   71.626  2618.70   89.000  2390.67  120.670  621.333   10.570  593.328   15.008 28.00464 18.35675 
1 1 1   -2   10   11 o  541.307   9.6074  1987.23   70.474  1987.23   70.474   0.0000   0.0000  541.307   9.6074  ?   ?       ?      ? 
1 1 1   -2   10   12 o  506.520   9.2513  1739.93   63.501  1739.93   63.501   0.0000   0.0000  506.520   9.2513  ?   ?       ?      ? 
1 1 1   -2   10   13 o  294.031   6.9742  586.088   27.789  586.088   27.789   0.0000   0.0000  294.031   6.9742  ?   ?       ?      ? 
1 1 1   -2   10   14 f  380.091   6.2821  979.299   32.358  979.299   32.358   0.0000   0.0000  380.091   6.2821  ?   ?       ?      ? 
1 1 1   -2   10   15 o  548.354   7.9556  2050.24   51.371  2060.54   59.501  2020.07  101.812  551.266   7.9648  545.442   13.774 5.823914 15.91129 
1 1 1   -2   10   16 o  203.145   5.1979  286.259   12.460  293.307   14.522  266.589   24.261  208.027   5.1514  198.263   9.0297 9.763290 10.39582 
1 1 1   -2   10   17 o  192.373   5.0277  245.383   11.498  239.656   13.292  262.405   22.916  188.039   5.2163  196.707   8.5967 -8.668121 10.05548 
1 1 1   -2   10   18 o  299.166   5.6500  611.592   19.986  616.593   23.215  597.275   39.280  301.604   5.6800  296.728   9.7687 4.876251 11.29998 
1 1 1   -2   10   19 o  846.192   11.306  4820.51  111.544  4776.17  128.120  4959.38  226.732  838.912   11.270  853.471   19.604 -14.55920 22.61243 
1 1 1   -2   10   20 o  429.633   7.1735  1261.12   39.541  1280.15   48.830  1224.88   67.392  434.469   8.2936  424.797   11.707 9.672729 14.34700 
1 1 1   -2   10   21 o  701.432   16.692  3346.21  158.660   0.0000   0.0000  3346.21  158.660  ?   ?   701.432   16.692      ?      ? 
1 1 1   -2   10   22 o  845.586   11.986  4855.98  129.373  4840.23  158.215  4887.76  224.747  844.079   13.832  847.093   19.579 -3.014099 23.97165 
1 1 1   -2   10   23 o  588.684   14.494  2355.09  115.626   0.0000   0.0000  2355.09  115.626  ?   ?   588.684   14.494      ?      ? 
1 1 1   -2   10   24 o  345.043   7.2391  806.952   33.828  777.197   46.889  839.248   48.851  338.419   10.224  351.667   10.251 -13.24881 14.47811 
1 1 1   -2   10   25 o  561.525   8.5171  2117.36   60.877  2210.49  107.300  2073.16   73.927  570.321   13.883  552.729   9.8699 17.59198 17.03423 
1 1 1   -2   10   26 o  383.661   6.7727  1000.30   33.062  994.572   57.640  1003.12   40.361  382.741   11.113  384.580   7.7445 -1.839203 13.54544 
1 1 1   -2   10   27 o  436.718   7.2445  1266.32   39.874  1371.08   72.221  1220.38   47.823  449.293   11.862  424.144   8.3204 25.14911 14.48898 
1 1 1   -2   10   28 o  518.564   6.6151  1824.71   46.483  1848.81   66.174  1801.24   65.307  521.943   9.3559  515.185   9.3544 6.758362 13.23017 
1 1 1   -2   10   29 o  250.689   4.6492  426.132   15.792  415.331   22.221  437.153   22.447  247.478   6.6258  253.899   6.5239 -6.421661 9.298471 
1 1 1   -2   10   30 o  589.802   7.2943  2360.97   58.285  2303.00   81.328  2422.20   83.574  582.363   10.305  597.242   10.326 -14.87817 14.58865 
1 1 1   -2   10   31 o  125.026   4.7795  106.022   8.0955  105.965   11.585  106.077   11.317  124.992   6.8395  125.061   6.6779 -0.6909943E-01 9.558949 
1 1 1   -2   10   32 o  237.591   4.5815  382.860   14.751  383.389   20.916  382.337   20.806  237.754   6.4918  237.429   6.4665 0.3253479 9.162912 
1 1 1   -2   10   33 o  223.696   4.5446  339.233   13.771  353.299   19.701  325.796   19.256  228.230   6.3700  219.163   6.4836 9.067368 9.089238 
1 1 1   -2   10   34 o   85.375   6.9996   47.030   7.5605   43.048   9.0188   56.446   13.868   79.633   8.3574   91.118   11.231 -11.48553 13.99923 
1 1 1   -2   10   35 o   94.780   5.3167   60.986   6.8264   62.028   9.5846   59.915   9.7249   95.604   7.3980   93.956   7.6379 1.647392 10.63338 
1 1 1   -2   10   36 o  295.628   4.9014  593.014   19.635  586.087   27.684  600.026   27.854  293.889   6.9512  297.366   6.9120 -3.476868 9.802799 
1 1 1   -2   10   37 f  112.580   4.9168   85.955   7.4985   88.941   10.755   83.131   10.460  114.481   6.9324  110.678   6.9743 3.803131 9.833529 
1 1 1   -2   10   38 o   85.566   5.5714   49.641   6.4536   52.891   9.3115   46.637   8.9527   88.259   7.7854   82.873   7.9718 5.385681 11.14280 
1 1 1   -2   10   39 o  311.056   5.0168  656.739   21.146  648.679   29.756  664.963   30.057  309.128   7.1032  312.985   7.0865 -3.857178 10.03369 
1 1 1   -2   10   40 o  254.010   6.6845  437.930   23.009  437.930   23.009   0.0000   0.0000  254.010   6.6845  ?   ?       ?      ? 
1 1 1   -2   10   41 o   85.558   5.8982   50.440   6.6907   38.440   9.4530   62.486   9.4711   75.189   9.2776   95.928   7.2857 -20.73875 11.79639 
1 1 1   -2   10   42 o  382.826   5.5509  995.468   28.794  1008.90   41.065  982.478   40.387  385.364   7.8635  380.288   7.8369 5.075592 11.10187 
1 1 1   -2   10   43 o  261.316   5.7649  464.772   19.428  466.358   24.057  461.797   32.943  262.080   6.7738  260.553   9.3301 1.526642 11.52978 
1 1 1   -2   10   44 o  173.271   5.5506  206.714   12.467  213.790   15.661  194.470   20.600  177.452   6.5128  169.090   8.9900 8.361954 11.10114 
1 1 1   -2   10   45 o  309.340   6.2108  642.683   24.331  673.810   43.347  628.366   29.398  314.537   10.170  304.143   7.1329 10.39404 12.42167 
1 1 1   -2   10   46 o  341.362   6.4790  780.209   27.940  828.358   50.149  758.536   33.646  348.619   10.615  334.105   7.4314 14.51413 12.95793 
1 1 1   -2   10   47 o  215.515   4.6696  315.570   13.633  307.462   19.344  323.571   19.216  212.755   6.7094  218.275   6.4965 -5.519287 9.339163 
1 1 1   -2   10   48 o  304.567   5.0514  629.590   20.836  657.315   30.074  603.999   28.893  311.008   7.1357  298.126   7.1517 12.88196 10.10276 
1 1 1   -2   10   49 o  127.609   4.9524  110.393   8.5525  115.987   12.498  105.467   11.729  130.639   7.0599  124.580   6.9472 6.059029 9.904859 
1 1 1   -2   10   50 o  233.130   4.7275  369.431   14.928  356.439   21.126  382.386   21.096  229.023   6.8071  237.237   6.5621 -8.214005 9.455079 
1 1 1   -2   10   51 o  205.028   5.7247  283.500   14.892  293.346   26.352  278.880   18.051  207.469   9.3730  202.587   6.5753 4.882126 11.44939 
1 1 1   -2   10   52 o  116.650   7.5145   92.963   11.824   81.667   16.500  104.889   16.954  109.317   11.138  123.983   10.091 -14.66573 15.02905 
1 1 1   -2   10   53 o  147.547   4.8224  147.641   9.6287  154.915   14.078  141.249   13.198  150.948   6.8825  144.145   6.7567 6.803085 9.644719 
1 1 1   -2   10   54 o  178.198   4.7209  215.862   11.395  216.455   16.380  215.305   15.862  178.426   6.7744  177.969   6.5769 0.4568024 9.441813 
1 1 1   -2   10   55 o  197.058   4.7486  264.009   12.678  265.488   18.138  262.596   17.728  197.591   6.7740  196.524   6.6567 1.067322 9.497289 
1 1 1   -2   10   56 o  119.974   5.4480   98.858   8.7790   87.924   12.786  108.610   12.076  113.596   8.3057  126.352   7.0525 -12.75638 10.89598 
1 1 1   -2   10   57 o  147.495   4.9658  148.504   9.8927  138.260   14.222  158.108   13.770  142.520   7.3637  152.470   6.6644 -9.949951 9.931667 
1 1 1   -2   10   58 o  121.115   5.3049  100.829   8.6174   86.322   12.390  114.424   11.994  112.544   8.1237  129.686   6.8246 -17.14169 10.60989 
1 1 1   -2   10   59 o  158.895   4.8670  172.063   10.464  162.943   14.903  180.931   14.696  154.713   7.1084  163.077   6.6500 -8.363937 9.734068 
1 1 1   -2   10   60 o  129.749   5.1755  114.638   9.0946  115.489   13.109  113.848   12.628  130.204   7.4297  129.295   7.2070 0.9082489 10.35094 
1 1 1   -2   10   61 o  356.500   5.5003  866.311   26.564  836.159   37.239  897.550   37.903  350.166   7.8476  362.833   7.7088 -12.66766 11.00052 
1 1 1   -2   10   62 o  184.202   6.1269  239.112   14.232  210.914   24.385  253.680   17.527  175.397   10.259  193.007   6.7011 -17.61037 12.25388 
1 1 1   -2   10   63 o   89.736   7.2251   55.235   8.5847   55.159   11.026   55.351   13.680   89.778   9.0630   89.694   11.255 0.8432007E-01 14.45024 
1 1 1   -2   10   64 o  105.606   6.6118   75.507   9.1984   72.603   11.612   80.400   15.071  103.041   8.3159  108.172   10.281 -5.131439 13.22356 
1 1 1   -2   10   65 o  174.565   6.8150  207.881   16.122   0.0000   0.0000  207.881   16.122  ?   ?   174.565   6.8150      ?      ? 
1 1 1   -2   10   66 f  305.074   5.1984  635.853   21.486  648.784   30.785  623.571   30.002  308.089   7.3737  302.059   7.3295 6.030182 10.39680 
1 1 1   -2   10   67 o   55.861   10.627   20.369   7.9892   14.687   9.7523   31.962   13.931   45.745   14.224   65.978   15.791 -20.23268 21.25307 
1 1 1   -2   10   68 o  112.475   5.6825   86.892   8.6462   80.952   12.214   92.860   12.241  108.570   8.3015  116.380   7.7619 -7.809540 11.36495 
1 1 1   -2   10   69 o  102.524   6.9970   70.122   9.0924   80.187   16.450   65.694   10.911  107.301   11.313   97.746   8.2370 9.554726 13.99394 
1 1 1   -2   10   70 o  124.076   6.4493  105.331   10.205  109.613   17.875  103.260   12.430  125.529   10.508  122.624   7.4799 2.904335 12.89850 
1 1 1   -2   10   71 o   47.808   9.1507   16.774   6.2421   11.679   8.9734   21.550   8.6887   41.273   13.723   54.343   12.108 -13.07033 18.30135 
1 1 1   -2   10   72 o  172.020   5.8575  203.758   13.080  201.714   16.282  207.478   21.965  171.294   7.0141  172.746   9.3832 -1.451492 11.71502 
1 1 1   -2   10   73 o   34.445   9.8288   3.6192   6.6224   8.6538   11.998   1.4133   7.9418   40.160   15.521   28.730   12.063 11.42997 19.65761 
1 1 1   -2   10   74 o   60.919   8.0998   27.062   6.4912   22.344   9.3032   31.538   9.0615   54.816   12.763   67.022   9.9771 -12.20619 16.19952 
1 1 1   -2   10   75 o  171.096   6.1459  206.532   13.367  197.753   23.030  210.992   16.415  167.407   10.152  174.786   6.9301 -7.378784 12.29175 
1 1 1   -2   10   76 o   34.114   9.6512   5.1219   6.8565  -1.0699   11.780   8.2945   8.4320   32.013   14.069   36.215   13.215 -4.202904 19.30234 
1 1 1   -2   10   77 o   44.627   9.4751   15.540   7.1618   0.8909   12.294   23.066   8.8114   33.775   14.614   55.479   12.064 -21.70417 18.95020 
1 1 1   -2   10   78 o  154.968   6.4295  175.728   12.586  151.559   21.212  188.861   15.637  145.124   10.786  164.812   7.0012 -19.68825 12.85891 
1 1 1   -2   10   79 o   55.717   10.250   25.187   7.7614   20.393   12.951   27.874   9.6955   50.732   16.468   60.702   12.210 -9.969917 20.50042 
1 1 1   -2   10   80 o   74.753   14.086   43.445   13.746   43.445   13.746   0.0000   0.0000   74.753   14.086  ?   ?       ?      ? 
1 1 1   -2   10   81 o  100.830   8.5375   74.430   11.578   64.371   15.388   87.551   17.575   92.991   12.211  108.668   11.935 -15.67731 17.07509 
1 1 1   -2   10   82 o   70.042   11.090   39.412   10.173   35.657   13.339   44.632   15.727   66.388   15.160   73.695   16.190 -7.306786 22.17970 
1 1 1   -2   10   83 o   29.218   9.2417  -4.8508   8.2238   4.6081   10.507 -19.8098   13.213   33.648   13.982   24.788   12.089 8.859922 18.48339 
1 1 1   -2   10   84 o   38.154   11.005   8.1283   8.9588   10.335   11.301   4.3960   14.697   39.137   15.081   37.171   16.031 1.966488 22.00991 
1 1 1   -2   10   85 o  149.240   11.592  167.492   23.444   0.0000   0.0000  167.492   23.444  ?   ?   149.240   11.592      ?      ? 
1 1 1   -2   10   86 o   52.896   11.700   22.590   9.4562   14.740   12.148   34.659   15.064   43.195   15.846   62.597   17.219 -19.40163 23.40094 
1 1 1   -2   10   87 o   25.999   8.7322  -9.5655   8.1364  -8.7139   10.404 -10.9067   13.056   24.745   11.708   27.253   12.959 -2.508049 17.46431 
1 1 1   -2   10   88 o   38.040   10.835   9.7641   8.5996   11.613   11.092   6.9780   13.615   39.198   14.981   36.881   15.656 2.317745 21.66902 
1 1 1   -2   10   89 o   35.855   10.509   3.8727   8.8494  -5.7920   11.613   17.259   13.667   27.331   12.752   44.379   16.707 -17.04815 21.01756 
1 1 1   -2   10   90 o   47.393   10.688   18.788   9.3374   34.554   13.001   1.9891   13.420   61.921   15.523   32.865   14.697 29.05602 21.37667 
1 1 1   -2   10   91 o   54.156   12.225   29.456   10.106   29.181   13.668   29.787   15.010   54.452   16.824   53.861   17.741 0.5905266 24.44989 
1 1 1   -2   10   92 o   39.594   11.232   13.064   9.5406   5.7785   13.332   20.712   13.659   33.990   14.953   45.198   16.764 -11.20760 22.46327 
1 1 1   -2   10   93 o   23.767   11.583 -13.3966   12.065 -13.3966   12.065   0.0000   0.0000   23.767   11.583  ?   ?       ?      ? 
1 1 1   -2   11    1 o  523.562   6.6840  1859.25   47.418  1851.08   66.506  1867.70   67.627  522.396   9.3945  524.728   9.5104 -2.332214 13.36807 
1 1 1   -2   11    2 o  490.546   6.3941  1631.12   42.488  1598.58   59.070  1666.01   61.160  485.483   8.9786  495.610   9.1063 -10.12683 12.78827 
1 1 1   -2   11    3 o  1039.27   14.488  7374.91  192.445  7412.71  236.157  7300.19  332.031  1044.15   16.690  1034.39   23.687 9.759766 28.97642 
1 1 1   -2   11    4 o  476.449   7.7471  1549.40   47.032  1567.25   57.624  1513.78   81.398  480.708   8.8458  472.190   12.721 8.517609 15.49413 
1 1 1   -2   11    5 o  349.209   6.4780  821.600   28.512  812.239   34.388  842.188   50.998  346.114   7.3318  352.304   10.682 -6.190033 12.95603 
1 1 1   -2   11    6 o  240.322   5.7191  380.014   17.158  363.003   20.382  421.398   31.790  231.399   6.4997  249.245   9.4120 -17.84550 11.43821 
1 1 1   -2   11    7 o  589.457   7.2759  2357.52   58.118  2367.38   82.003  2347.58   82.381  590.698   10.244  588.216   10.335 2.482178 14.55183 
1 1 1   -2   11    8 o  345.400   5.2234  808.991   24.444  813.261   34.302  804.586   34.843  346.328   7.3089  344.471   7.4642 1.857178 10.44674 
1 1 1   -2   11    9 o  420.873   5.8066  1198.32   33.073  1144.57   45.356  1259.34   48.329  410.823   8.1470  430.923   8.2760 -20.09970 11.61322 
1 1 1   -2   11   10 o  150.878   4.6629  154.102   9.5151  150.868   12.998  157.837   13.967  149.177   6.4295  152.579   6.7552 -3.401947 9.325887 
1 1 1   -2   11   11 o  706.568   8.4137  3388.36   80.547  3347.82  112.660  3430.75  115.203  702.252   11.838  710.883   11.959 -8.631287 16.82733 
1 1 1   -2   11   12 o  687.030   9.5162  3215.66   76.873  3225.39   88.931  3186.89  152.893  689.518   9.5176  684.543   16.482 4.974426 19.03242 
1 1 1   -2   11   13 o  902.695   11.997  5543.91  127.003  5544.56  146.639  5541.94  254.065  903.702   11.974  901.687   20.792 2.015869 23.99384 
1 1 1   -2   11   14 o  348.009   6.0635  820.287   24.754  819.124   28.569  823.788   49.582  347.605   6.0650  348.413   10.501 -0.8080139 12.12700 
1 1 1   -2   11   15 o  558.139   8.0513  2062.67   51.957  2016.88   59.260  2214.89  108.039  545.334   8.0189  570.943   13.964 -25.60864 16.10252 
1 1 1   -2   11   16 o  739.716   10.122  3760.37   88.570  3805.34  103.026  3632.99  173.390  748.842   10.153  730.590   17.513 18.25183 20.24324 
1 1 1   -2   11   17 o  269.349   5.8206  480.402   20.101  457.751   24.448  527.654   35.311  259.824   6.9436  278.875   9.3438 -19.05109 11.64128 
1 1 1   -2   11   18 o  335.037   7.4024  761.225   33.608  761.225   33.608   0.0000   0.0000  335.037   7.4024  ?   ?       ?      ? 
1 1 1   -2   11   19 o  210.741   5.3595  301.060   15.306  301.060   15.306   0.0000   0.0000  210.741   5.3595  ?   ?       ?      ? 
1 1 1   -2   11   20 o  537.637   7.8633  1949.96   49.441  1937.66   56.909  1987.83   99.838  534.484   7.8571  540.790   13.623 -6.306641 15.72669 
1 1 1   -2   11   21 f  447.709   6.9672  1361.99   36.691  1363.54   42.432  1357.43   73.046  448.404   6.9830  447.015   12.058 1.388519 13.93446 
1 1 1   -2   11   22 o  361.128   6.6028  893.498   30.716  913.114   38.170  857.451   51.743  366.901   7.6769  355.355   10.745 11.54529 13.20569 
1 1 1   -2   11   23 o  123.051   6.2741  106.983   9.9841  121.507   12.933   85.560   15.708  133.847   7.1302  112.256   10.326 21.59125 12.54825 
1 1 1   -2   11   24 o  335.547   5.9049  745.575   23.193  728.210   26.600  800.627   47.362  327.712   5.9898  343.383   10.178 -15.67068 11.80975 
1 1 1   -2   11   25 o  350.831   6.0607  831.379   25.038  827.419   28.930  843.201   49.983  349.310   6.1115  352.351   10.468 -3.041168 12.12140 
1 1 1   -2   11   26 o  426.335   6.7555  1237.64   33.998  1241.32   39.409  1226.93   67.228  427.796   6.7979  424.874   11.676 2.922485 13.51106 
1 1 1   -2   11   27 o  491.794   7.3989  1641.01   42.821  1638.91   49.507  1647.27   85.328  491.487   7.4331  492.100   12.795 -0.6127319 14.79777 
1 1 1   -2   11   28 o  430.106   5.8726  1255.57   34.228  1267.60   48.602  1243.74   48.211  432.150   8.2992  428.062   8.3110 4.087616 11.74523 
1 1 1   -2   11   29 o  167.101   4.5377  189.414   10.275  190.920   14.507  187.898   14.555  167.769   6.3810  166.434   6.4535 1.335037 9.075500 
1 1 1   -2   11   30 o  353.945   6.5139  854.498   29.407  861.716   36.039  840.116   50.871  356.338   7.4633  351.553   10.678 4.785156 13.02784 
1 1 1   -2   11   31 o  223.684   5.6287  335.397   15.972  327.819   19.325  351.727   28.369  219.820   6.4875  227.549   9.2001 -7.729507 11.25741 
1 1 1   -2   11   32 o  180.455   4.5135  220.880   11.034  228.722   15.722  213.269   15.489  183.613   6.3185  177.297   6.4469 6.315552 9.027008 
1 1 1   -2   11   33 o  291.926   4.8896  577.800   19.333  604.063   27.799  553.203   26.904  298.347   6.8759  285.506   6.9537 12.84113 9.779177 
1 1 1   -2   11   34 o  390.147   5.5678  1033.45   29.435  1050.98   41.903  1016.38   41.356  393.414   7.8597  386.879   7.8883 6.534607 11.13558 
1 1 1   -2   11   35 o  299.080   4.9424  607.037   20.028  623.320   28.540  591.240   28.112  303.033   6.9501  295.126   7.0290 7.907135 9.884851 
1 1 1   -2   11   36 o  162.032   4.5856  178.142   10.065  185.336   14.347  171.171   14.123  165.256   6.4066  158.809   6.5624 6.446899 9.171106 
1 1 1   -2   11   37 o  355.740   5.3316  859.409   25.701  851.745   36.193  867.205   36.504  354.140   7.5416  357.340   7.5383 -3.199982 10.66311 
1 1 1   -2   11   38 o  290.528   6.9846  573.105   27.499   0.0000   0.0000  573.105   27.499  ?   ?   290.528   6.9846      ?      ? 
1 1 1   -2   11   39 o  268.715   6.8156  490.274   24.819   0.0000   0.0000  490.274   24.819  ?   ?   268.715   6.8156      ?      ? 
1 1 1   -2   11   40 o  181.942   8.9554  225.138   22.080   0.0000   0.0000  225.138   22.080  ?   ?   181.942   8.9554      ?      ? 
1 1 1   -2   11   41 o  214.938   5.5753  312.903   15.455  310.496   19.085  317.488   26.342  213.840   6.5859  216.036   8.9979 -2.195572 11.15060 
1 1 1   -2   11   42 o  157.010   6.0557  174.546   11.802  149.744   20.657  186.564   14.379  148.259   10.281  165.760   6.4014 -17.50117 12.11144 
1 1 1   -2   11   43 o  188.315   5.7470  239.655   13.614  245.126   24.417  237.186   16.400  189.744   9.4961  186.887   6.4757 2.856689 11.49399 
1 1 1   -2   11   44 o  198.657   4.6387  267.923   12.483  272.268   17.955  263.859   17.367  200.211   6.6178  197.103   6.5019 3.107407 9.277385 
1 1 1   -2   11   45 o  157.010   4.7657  167.583   10.127  165.310   14.642  169.667   14.021  155.978   6.9274  158.044   6.5467 -2.065918 9.531442 
1 1 1   -2   11   46 f  172.812   4.6931  202.758   10.982  206.177   15.903  199.642   15.184  174.197   6.7367  171.428   6.5360 2.768951 9.386271 
1 1 1   -2   11   47 o  158.113   4.7463  169.833   10.159  170.870   14.730  168.892   14.029  158.564   6.8552  157.663   6.5664 0.9011383 9.492672 
1 1 1   -2   11   48 o  232.986   4.7569  369.181   15.006  352.877   21.282  385.301   21.162  227.850   6.8925  238.123   6.5580 -10.27370 9.513870 
1 1 1   -2   11   49 o  124.719   7.2650  106.157   12.269  100.492   17.221  111.996   17.483  121.322   10.474  128.116   10.070 -6.793243 14.52998 
1 1 1   -2   11   50 o  184.215   5.7747  232.043   13.507  228.150   23.567  233.947   16.483  182.902   9.5084  185.528   6.5560 -2.625687 11.54950 
1 1 1   -2   11   51 o  113.084   5.2754   87.157   8.0659   84.388   11.694   89.670   11.139  111.349   7.7502  114.819   7.1593 -3.469742 10.55085 
1 1 1   -2   11   52 f   79.480   6.4402   43.229   6.9003   41.381   10.162   44.810   9.3997   77.868   9.6302   81.092   8.5537 -3.223099 12.88046 
1 1 1   -2   11   53 o  163.021   4.9050  180.246   10.820  191.665   15.814  170.196   14.836  167.860   6.9521  158.182   6.9212 9.677490 9.809952 
1 1 1   -2   11   54 o  216.990   4.8157  320.131   14.154  324.560   20.396  316.016   19.657  218.428   6.8905  215.553   6.7295 2.874573 9.631438 
1 1 1   -2   11   55 o  225.577   4.8432  346.156   14.799  347.414   21.264  344.974   20.608  225.962   6.9443  225.193   6.7531 0.7691803 9.686465 
1 1 1   -2   11   56 o   94.070   6.1404   60.364   7.8065   60.465   11.472   60.277   10.653   94.120   8.9945   94.020   8.3616 0.9963226E-01 12.28071 
1 1 1   -2   11   57 o  298.696   5.1467  607.545   20.825  585.853   29.285  629.738   29.620  293.284   7.3684  304.108   7.1875 -10.82455 10.29336 
1 1 1   -2   11   58 o  212.007   4.8872  306.457   14.017  287.136   19.891  325.516   19.755  205.324   7.1487  218.690   6.6660 -13.36595 9.774403 
1 1 1   -2   11   59 f  228.443   6.0185  354.318   17.334  362.043   30.937  350.783   20.928  229.925   9.9291  226.961   6.8045 2.963654 12.03694 
1 1 1   -2   11   60 o  185.926   6.0604  235.656   14.213  237.842   25.266  234.644   17.190  186.266   10.010  185.585   6.8353 0.6810455 12.12086 
1 1 1   -2   11   61 o  130.311   5.3537  115.380   9.4328  125.565   13.868  106.611   12.868  135.642   7.5447  124.979   7.5979 10.66267 10.70749 
1 1 1   -2   11   62 o  202.751   9.3979  281.951   25.821   0.0000   0.0000  281.951   25.821  ?   ?   202.751   9.3979      ?      ? 
1 1 1   -2   11   63 o  107.723   6.7395   79.907   9.5629   80.554   12.203   78.877   15.394  108.467   8.3020  106.979   10.619 1.488625 13.47900 
1 1 1   -2   11   64 f  150.662   5.1078  155.690   10.360  134.656   14.593  177.058   14.709  140.283   7.6766  161.041   6.7400 -20.75798 10.21552 
1 1 1   -2   11   65 o   71.814   9.3230   35.879   8.4282   34.179   10.329   39.268   14.579   70.266   10.848   73.362   15.166 -3.096428 18.64608 
1 1 1   -2   11   66 o  116.143   5.5655   92.263   8.7458   99.024   12.769   86.290   12.003  120.143   7.8430  112.143   7.8984 8.000854 11.13097 
1 1 1   -2   11   67 o  183.343   4.9296  230.392   12.239  223.964   17.463  236.599   17.159  180.783   7.1280  185.903   6.8113 -5.120087 9.859102 
1 1 1   -2   11   68 o   31.716   9.6967  -0.4394   7.6301  -3.0891   11.777   1.4772   10.017   31.371   13.915   32.061   13.509 -0.6898956 19.39348 
1 1 1   -2   11   69 o   81.065   8.5231   48.817   8.2948   41.687   14.453   52.319   10.129   75.131   14.723   87.000   8.5914 -11.86901 17.04612 
1 1 1   -2   11   70 o   39.372   9.4296   10.495   6.0081   9.3002   8.6806   11.593   8.3242   38.053   13.467   40.691   13.203 -2.638653 18.85929 
1 1 1   -2   11   71 o   72.011   7.2852   37.237   6.8212   30.417   9.7671   43.730   9.5304   64.719   11.561   79.302   8.8683 -14.58322 14.57046 
1 1 1   -2   11   72 o   35.789   9.2885   7.7647   5.8942   8.4105   8.6357   7.2014   8.0648   36.757   13.379   34.821   12.888 1.936314 18.57698 
1 1 1   -2   11   73 o   78.969   8.9033   46.791   8.4999   41.968   14.857   49.137   10.364   74.182   15.287   83.756   9.1309 -9.573524 17.80664 
1 1 1   -2   11   74 o  203.356   6.0810  291.943   15.802  281.353   26.989  297.467   19.493  199.393   9.9885  207.318   6.9384 -7.924805 12.16194 
1 1 1   -2   11   75 o   58.775   9.9766   25.967   7.5374   28.525   12.960   24.659   9.2654   60.242   15.712   57.307   12.299 2.934864 19.95328 
1 1 1   -2   11   76 o   74.704   8.9573   43.168   8.1576   36.681   13.906   46.572   10.073   68.301   15.393   81.108   9.1643 -12.80692 17.91451 
1 1 1   -2   11   77 o   43.797   10.013   14.970   7.0211   7.9837   12.140   18.482   8.6065   38.542   15.394   49.052   12.809 -10.50928 20.02611 
1 1 1   -2   11   78 o   67.618   11.152   35.866   10.080   26.998   13.303   47.825   15.447   57.498   16.316   77.737   15.208 -20.23922 22.30478 
1 1 1   -2   11   79 o   74.952   13.788   43.698   13.489   43.698   13.489   0.0000   0.0000   74.952   13.788  ?   ?       ?      ? 
1 1 1   -2   11   80 o   54.549   11.650   25.529   9.6869   30.617   12.357   17.419   15.602   61.544   14.962   47.555   17.861 13.98930 23.29985 
1 1 1   -2   11   81 o   79.737   10.438   50.170   10.798   49.037   13.912   51.887   17.125   80.405   12.768   79.069   16.515 1.335480 20.87523 
1 1 1   -2   11   82 o   62.389   11.412   33.858   9.8911   39.275   12.844   25.964   15.505   70.210   13.991   54.568   18.034 15.64199 22.82456 
1 1 1   -2   11   83 o   57.690   10.764   22.346   9.5415   6.3936   11.837   51.932   16.121   36.019   14.893   79.361   15.546 -43.34240 21.52889 
1 1 1   -2   11   84 o   50.360   17.757   22.147   15.077   0.0000   0.0000   22.147   15.077  ?   ?    50.360   17.757      ?      ? 
1 1 1   -2   11   85 o   40.282   11.228   9.9828   9.0153   4.4740   11.576   18.475   14.372   33.921   14.419   46.643   17.216 -12.72225 22.45669 
1 1 1   -2   11   86 o   29.871   9.6024  -6.7824   8.3338 -14.7824   10.405   7.5320   13.918   22.199   10.805   37.543   15.877 -15.34389 19.20484 
1 1 1   -2   11   87 o   37.388   10.826   8.6049   9.1223   13.931   11.901   1.0174   14.205   41.302   15.581   33.474   15.034 7.828533 21.65195 
1 1 1   -2   11   88 o   43.624   11.706   16.921   9.5777   18.532   13.051   15.041   14.100   45.119   16.444   42.129   16.665 2.989647 23.41177 
1 1 1   -2   11   89 o   43.512   11.537   16.402   9.6379   8.2051   13.247   25.622   14.049   36.227   15.412   50.797   17.173 -14.56934 23.07479 
1 1 1   -2   11   90 o   82.696   10.820   61.256   11.868   29.215   15.657  104.522   18.194   52.031   18.111  113.361   11.844 -61.32928 21.63989 
1 1 1   -2   11   91 o   54.220   12.554   32.008   10.711   26.870   14.638   37.929   15.713   49.516   17.492   58.923   18.011 -9.407440 25.10751 
1 1 1   -2   12    1 o  514.299   6.6331  1794.18   46.215  1771.10   64.428  1818.65   66.329  510.898   9.3059  517.699   9.4546 -6.800873 13.26612 
1 1 1   -2   12    2 o  695.499   8.3295  3281.22   78.459  3414.93  113.221  3157.69  108.826  709.115   11.782  681.884   11.777 27.23090 16.65902 
1 1 1   -2   12    3 o  226.620   4.6537  347.785   14.275  339.778   19.626  356.779   20.799  223.857   6.4698  229.383   6.6911 -5.526398 9.307467 
1 1 1   -2   12    4 f  132.374   4.8333  118.739   8.6465  117.730   11.776  119.919   12.737  131.768   6.5947  132.980   7.0679 -1.212463 9.666673 
1 1 1   -2   12    5 o  310.871   5.0424  655.255   21.233  651.673   29.566  659.070   30.513  309.997   7.0380  311.745   7.2228 -1.747620 10.08476 
1 1 1   -2   12    6 o  311.146   5.0394  656.519   21.242  656.079   29.677  656.982   30.418  311.042   7.0408  311.250   7.2117 -0.2074890 10.07879 
1 1 1   -2   12    7 o  326.136   5.1350  721.388   22.688  723.183   31.732  719.509   32.452  326.555   7.1707  325.717   7.3522 0.8379211 10.27003 
1 1 1   -2   12    8 o  207.765   4.6256  292.243   13.009  283.434   17.896  302.113   18.944  204.452   6.4594  211.078   6.6227 -6.625427 9.251150 
1 1 1   -2   12    9 o  442.353   6.0128  1327.57   36.040  1349.41   51.033  1305.84   50.905  445.987   8.4440  438.719   8.5622 7.267639 12.02550 
1 1 1   -2   12   10 o  260.502   4.7984  460.509   16.924  482.132   23.899  438.758   23.969  266.646   6.6139  254.359   6.9537 12.28743 9.596797 
1 1 1   -2   12   11 o  402.600   5.6975  1099.31   31.076  1089.40   43.371  1109.77   44.549  400.740   7.9864  404.460   8.1279 -3.720459 11.39501 
1 1 1   -2   12   12 o  410.891   6.7064  1168.90   32.671  1194.60   38.146  1098.16   63.288  419.712   6.7069  402.071   11.615 17.64044 13.41270 
1 1 1   -2   12   13 o  408.482   6.5837  1109.13   31.248  1087.88   35.746  1177.99   64.345  400.527   6.5859  416.437   11.402 -15.91025 13.16748 
1 1 1   -2   12   14 o  188.425   5.3057  244.078   11.740  247.433   13.609  234.317   23.210  191.044   5.2566  185.806   9.2180 5.238327 10.61150 
1 1 1   -2   12   15 o  328.856   5.9113  727.353   22.790  721.031   26.248  746.718   45.937  326.095   5.9397  331.617   10.222 -5.522522 11.82265 
1 1 1   -2   12   16 f  427.775   6.7772  1234.06   33.917  1226.05   39.045  1258.68   68.462  425.174   6.7766  430.375   11.739 -5.201172 13.55438 
1 1 1   -2   12   17 o  204.182   5.6665  284.116   14.928  286.984   18.523  278.802   25.213  205.704   6.6449  202.661   9.1805 3.042862 11.33300 
1 1 1   -2   12   18 o  150.996   5.7321  154.137   11.262  152.671   14.049  156.774   18.838  150.026   6.9104  151.967   9.1474 -1.940582 11.46421 
1 1 1   -2   12   19 o  420.112   6.7421  1192.39   33.146  1186.50   38.178  1210.43   66.798  418.240   6.7360  421.985   11.681 -3.745300 13.48411 
1 1 1   -2   12   20 o  299.488   5.6888  587.919   19.840  569.188   22.655  649.555   41.095  289.717   5.7703  309.258   9.8058 -19.54065 11.37766 
1 1 1   -2   12   21 o  295.847   5.6382  570.127   19.405  548.908   22.123  640.920   40.409  284.506   5.7382  307.188   9.7071 -22.68182 11.27631 
1 1 1   -2   12   22 o  437.922   6.9027  1289.68   35.330  1277.18   40.622  1328.52   71.584  433.884   6.9089  441.960   11.952 -8.076050 13.80545 
1 1 1   -2   12   23 o  245.937   6.0087  405.084   18.803  394.904   22.802  426.711   33.236  241.255   6.9746  250.619   9.7863 -9.363876 12.01730 
1 1 1   -2   12   24 o  574.117   8.3346  2237.83   64.844  2237.83   64.844   0.0000   0.0000  574.117   8.3346  ?   ?       ?      ? 
1 1 1   -2   12   25 o  503.427   7.6928  1794.28   46.432  1885.42   55.005  1568.33   86.604  527.033   7.7016  479.820   13.319 47.21304 15.38550 
1 1 1   -2   12   26 o  349.053   6.1412  826.523   29.049  826.523   29.049   0.0000   0.0000  349.053   6.1412  ?   ?       ?      ? 
1 1 1   -2   12   27 o  206.834   5.3642  290.141   15.035  290.141   15.035   0.0000   0.0000  206.834   5.3642  ?   ?       ?      ? 
1 1 1   -2   12   28 o  176.752   5.2054  211.728   11.047  211.325   12.910  212.830   21.352  176.515   5.3970  176.990   8.9026 -0.4747162 10.41072 
1 1 1   -2   12   29 o  268.793   5.4995  485.528   17.501  480.265   20.248  501.071   34.797  266.083   5.6155  271.503   9.4576 -5.419678 10.99906 
1 1 1   -2   12   30 o   98.679   6.0671   66.955   7.2834   67.997   8.6181   64.349   13.625  100.101   6.3531   97.257   10.338 2.844078 12.13416 
1 1 1   -2   12   31 o  132.186   5.6919  119.737   9.7089  122.225   12.085  115.208   16.305  134.192   6.6456  130.178   9.2426 4.013824 11.38379 
1 1 1   -2   12   32 o  308.308   5.0120  645.256   20.938  634.016   29.397  656.829   29.830  305.582   7.0989  311.033   7.0772 -5.450989 10.02404 
1 1 1   -2   12   33 o  136.809   4.7857  127.171   8.8602  119.366   12.519  135.005   12.542  132.592   6.9673  141.027   6.5625 -8.434616 9.571333 
1 1 1   -2   12   34 o  145.323   4.6924  143.373   9.2408  143.692   13.070  143.054   13.067  145.485   6.6296  145.161   6.6424 0.3238220 9.384729 
1 1 1   -2   12   35 o  234.606   5.6575  374.999   17.049  377.097   21.030  370.976   29.120  235.677   6.5849  233.535   9.2016 2.142014 11.31503 
1 1 1   -2   12   36 o  402.159   6.9916  1112.05   36.117  1136.96   44.754  1065.52   61.157  408.996   8.0748  395.322   11.416 13.67331 13.98311 
1 1 1   -2   12   37 o  355.655   6.5682  868.883   29.990  886.982   37.124  834.885   50.881  361.292   7.5826  350.019   10.727 11.27255 13.13637 
1 1 1   -2   12   38 o  145.670   4.7427  143.829   9.3510  153.803   13.542  134.740   12.928  150.490   6.6406  140.849   6.7730 9.641052 9.485303 
1 1 1   -2   12   39 o  226.383   5.8215  345.710   16.596  356.142   29.757  341.000   19.995  228.693   9.6019  224.074   6.5849 4.619293 11.64293 
1 1 1   -2   12   40 o  348.716   6.5983  826.696   29.219  831.690   51.265  824.293   35.561  349.198   10.833  348.233   7.5356 0.9649353 13.19653 
1 1 1   -2   12   41 o  110.591   5.2856   82.642   7.8479   99.751   11.564   68.036   10.685  121.158   7.0435  100.024   7.8830 21.13383 10.57129 
1 1 1   -2   12   42 o  151.611   4.7545  156.177   9.7613  156.079   14.068  156.269   13.555  151.557   6.8500  151.664   6.5953 -0.1078796 9.508948 
1 1 1   -2   12   43 o  210.890   4.6995  302.256   13.426  292.591   18.975  311.944   18.998  207.505   6.7479  214.276   6.5428 -6.771103 9.399030 
1 1 1   -2   12   44 o  353.739   5.3927  850.957   25.848  861.008   36.877  841.249   36.241  355.788   7.6485  351.690   7.6042 4.098328 10.78536 
1 1 1   -2   12   45 o  249.453   4.8731  422.190   16.457  445.441   23.874  401.138   22.717  255.986   6.8822  242.920   6.9009 13.06564 9.746112 
1 1 1   -2   12   46 o  156.386   6.7603  166.784   14.306  178.997   20.415  155.002   20.052  162.038   9.2973  150.734   9.8168 11.30426 13.52068 
1 1 1   -2   12   47 o  146.337   5.8541  142.139   10.946  156.811   19.376  135.262   13.265  151.633   9.4293  141.040   6.9404 10.59328 11.70811 
1 1 1   -2   12   48 o  188.284   4.7338  241.332   12.063  230.926   17.228  251.341   16.896  184.277   6.8989  192.291   6.4839 -8.013779 9.467672 
1 1 1   -2   12   49 o   95.565   5.9900   63.028   7.6570   54.222   11.190   70.782   10.500   89.154   9.2623  101.975   7.5981 -12.82088 11.98007 
1 1 1   -2   12   50 o  265.711   4.9783  479.596   17.910  497.677   26.001  463.271   24.706  270.461   7.0942  260.961   6.9862 9.500305 9.956689 
1 1 1   -2   12   51 o  122.196   5.4530  102.742   8.9336   88.946   12.953  115.258   12.338  114.236   8.3672  130.155   6.9949 -15.91949 10.90591 
1 1 1   -2   12   52 o  231.206   6.9826  363.756   21.878  363.756   21.878   0.0000   0.0000  231.206   6.9826  ?   ?       ?      ? 
1 1 1   -2   12   53 o   66.914   8.1651   33.049   6.9010   21.070   10.191   43.194   9.3787   54.262   13.821   79.567   8.6982 -25.30517 16.33022 
1 1 1   -2   12   54 o  136.969   5.1130  127.789   9.4712  127.224   13.823  128.290   13.003  136.661   7.4639  137.277   6.9900 -0.6160736 10.22593 
1 1 1   -2   12   55 o   88.280   6.3176   52.655   7.5139   58.960   11.394   47.803   9.9957   92.896   9.0507   83.663   8.8165 9.232384 12.63512 
1 1 1   -2   12   56 o   90.329   7.9584   56.554   8.6941   54.893   16.432   57.199   10.246   89.118   13.606   91.541   8.2593 -2.423805 15.91681 
1 1 1   -2   12   57 o   61.343   10.307   27.043   7.7619   26.431   14.900   27.271   9.0931   60.613   17.292   62.072   11.223 -1.458916 20.61475 
1 1 1   -2   12   58 o  155.680   5.0824  165.712   10.690  158.038   15.494  172.683   14.769  152.185   7.5130  159.175   6.8468 -6.989761 10.16482 
1 1 1   -2   12   59 o  278.018   5.0914  527.161   19.171  534.820   27.664  520.084   26.592  279.935   7.2924  276.101   7.1072 3.833832 10.18290 
1 1 1   -2   12   60 o  232.187   5.9288  362.259   17.848  346.534   22.010  392.458   30.502  225.279   7.2097  239.095   9.4139 -13.81578 11.85752 
1 1 1   -2   12   61 o  225.128   5.9849  350.335   17.458  357.808   21.849  337.140   29.032  228.875   7.0446  221.380   9.6772 7.495010 11.96972 
1 1 1   -2   12   62 f  149.900   6.2580  150.949   12.145  143.301   14.931  165.905   20.879  144.681   7.6152  155.118   9.9327 -10.43703 12.51598 
1 1 1   -2   12   63 f  112.396   5.6837   85.974   8.6158   98.429   12.805   75.672   11.646  119.799   7.8878  104.993   8.1854 14.80662 11.36740 
1 1 1   -2   12   64 o  150.561   7.2347  156.477   14.709  163.682   21.915  150.569   19.842  153.606   10.528  147.515   9.9260 6.090347 14.46943 
1 1 1   -2   12   65 o   78.101   7.0422   43.154   7.2940   35.583   10.779   49.550   9.9071   71.428   11.135   84.774   8.6239 -13.34512 14.08437 
1 1 1   -2   12   66 o   67.944   7.7887   33.428   6.8268   28.088   10.241   37.700   9.1589   62.098   12.600   73.790   9.1592 -11.69261 15.57734 
1 1 1   -2   12   67 o  104.390   7.1489   75.502   9.2273   77.233   17.005   74.779   10.985  104.627   11.994  104.153   7.7830 0.4735031 14.29779 
1 1 1   -2   12   68 o  138.125   5.2413  132.015   9.7625  125.178   14.294  137.993   13.365  134.621   7.8355  141.628   6.9636 -7.006790 10.48267 
1 1 1   -2   12   69 o   45.937   9.3443   15.614   6.1330   14.515   9.0849   16.533   8.3132   44.611   13.705   47.262   12.706 -2.651062 18.68866 
1 1 1   -2   12   70 f   32.879   9.6813   2.1592   6.6045   6.4914   12.144   0.3398   7.8701   38.197   15.347   27.560   11.806 10.63686 19.36259 
1 1 1   -2   12   71 o  116.472   6.5716   94.671   9.7458   96.917   17.027   93.577   11.885  116.803   10.757  116.141   7.5517 0.6617737 13.14316 
1 1 1   -2   12   72 o   56.481   9.9504   24.153   7.3369   25.079   12.448   23.661   9.0820   56.729   15.673   56.234   12.263 0.4948463 19.90075 
1 1 1   -2   12   73 o   84.552   7.5112   49.278   8.2970   58.459   14.126   44.442   10.252   89.907   11.594   79.198   9.5522 10.70914 15.02239 
1 1 1   -2   12   74 o   71.691   9.1603   40.527   8.0664   32.290   13.561   45.037   10.034   63.707   15.788   79.675   9.2938 -15.96738 18.32062 
1 1 1   -2   12   75 o  121.161   7.7963  106.323   12.784   99.594   17.642  113.763   18.551  117.063   11.121  125.259   10.929 -8.195877 15.59251 
1 1 1   -2   12   76 o   46.847   11.610   16.513   9.0850   13.547   12.101   20.343   13.754   43.309   15.826   50.384   16.992 -7.075001 23.22056 
1 1 1   -2   12   77 o   61.340   11.429   29.526   9.6833   21.437   12.509   41.620   15.296   51.327   16.134   71.352   16.191 -20.02431 22.85718 
1 1 1   -2   12   78 f  120.061   10.656  105.443   17.337  105.443   17.337   0.0000   0.0000  120.061   10.656  ?   ?       ?      ? 
1 1 1   -2   12   79 o   34.904   10.522   2.5868   8.6187  -1.4774   10.985   9.0940   13.900   29.860   13.329   39.948   16.285 -10.08784 21.04459 
1 1 1   -2   12   80 o   32.800   10.121   1.3856   8.5270   4.8510   10.719  -4.5871   14.072   33.935   14.113   31.665   14.510 2.270077 20.24163 
1 1 1   -2   12   81 o   36.062   10.480   5.9873   8.6366   11.452   10.931  -3.0914   14.090   39.848   14.953   32.276   14.686 7.572250 20.95914 
1 1 1   -2   12   82 o   63.019   11.620   34.253   9.9254   34.099   12.887   34.479   15.562   63.930   15.113   62.109   17.655 1.821190 23.24040 
1 1 1   -2   12   83 o   34.117   14.900   2.8208   13.028   0.0000   0.0000   2.8208   13.028  ?   ?    34.117   14.900      ?      ? 
1 1 1   -2   12   84 o   44.632   11.481   14.948   9.2958   7.0263   12.162   26.078   14.416   36.003   15.008   53.262   17.379 -17.25921 22.96234 
1 1 1   -2   12   85 o   73.311   10.721   44.276   10.522   28.961   13.697   66.332   16.437   56.053   16.746   90.569   13.393 -34.51645 21.44271 
1 1 1   -2   12   86 o   42.765   11.183   13.589   9.3819   2.5602   12.760   26.565   13.841   32.785   14.515   52.745   17.015 -19.95991 22.36562 
1 1 1   -2   12   87 o   57.564   11.848   31.597   10.005   23.937   13.563   40.741   14.819   49.497   16.872   65.631   16.639 -16.13412 23.69648 
1 1 1   -2   12   88 o   53.361   12.185   28.942   10.031   25.606   13.585   32.941   14.874   50.279   16.887   56.444   17.569 -6.164394 24.36920 
1 1 1   -2   12   89 o   49.660   12.231   26.580   10.107   27.305   14.133   25.821   14.461   50.489   17.223   48.830   17.371 1.658623 24.46226 
1 1 1   -2   13    1 o  193.127   4.6422  253.476   12.123  262.973   16.814  243.194   17.496  196.910   6.3011  189.344   6.8188 7.565536 9.284360 
1 1 1   -2   13    2 o  145.443   4.7971  143.821   9.4151  147.507   12.838  139.531   13.849  147.472   6.4240  143.413   7.1261 4.058914 9.594278 
1 1 1   -2   13    3 o  208.900   4.6302  296.562   13.080  315.701   18.381  276.928   18.617  215.750   6.2867  202.051   6.7993 13.69919 9.260342 
1 1 1   -2   13    4 o  100.981   5.4276   70.154   7.3239   78.189   9.9727   60.746   10.791  107.360   6.8547   94.602   8.4172 12.75845 10.85519 
1 1 1   -2   13    5 o  277.908   4.8975  523.668   18.430  517.633   25.499  530.269   26.667  276.238   6.8118  279.578   7.0385 -3.340332 9.794967 
1 1 1   -2   13    6 o  379.640   5.5534  977.990   28.560  1014.46   40.624  942.351   40.160  386.645   7.7533  372.635   7.9529 14.00928 11.10685 
1 1 1   -2   13    7 o  209.004   4.6667  296.358   13.206  297.559   18.320  295.060   19.054  209.449   6.4546  208.558   6.7417 0.8910522 9.333417 
1 1 1   -2   13    8 o  288.880   4.9652  565.832   19.425  557.310   26.924  575.086   28.054  286.617   6.9319  291.143   7.1107 -4.525635 9.930449 
1 1 1   -2   13    9 o  268.009   4.8692  487.525   17.670  493.734   24.591  480.897   25.407  269.782   6.7264  266.236   7.0421 3.545624 9.738362 
1 1 1   -2   13   10 o  330.800   5.2271  741.910   23.417  726.252   32.416  758.998   33.863  327.158   7.3118  334.442   7.4718 -7.283905 10.45417 
1 1 1   -2   13   11 o  224.581   5.8404  337.477   16.765  357.007   29.398  328.064   20.409  229.263   9.4623  219.900   6.8487 9.362366 11.68077 
1 1 1   -2   13   12 o  262.836   6.0764  470.848   20.563  463.207   34.904  474.909   25.448  261.112   9.8643  264.561   7.0982 -3.449463 12.15278 
1 1 1   -2   13   13 o  414.872   7.1399  1150.73   37.564  1117.63   45.378  1222.80   66.957  405.744   8.2530  423.999   11.653 -18.25494 14.27977 
1 1 1   -2   13   14 f  196.224   5.2261  246.751   11.989  233.753   13.657  290.413   25.030  185.659   5.4282  206.790   8.9321 -21.13054 10.45222 
1 1 1   -2   13   15 o  213.133   5.3275  305.754   13.264  303.302   15.252  313.363   26.866  211.484   5.3220  214.781   9.2306 -3.297195 10.65492 
1 1 1   -2   13   16 o  196.903   5.3000  259.290   12.216  255.585   14.040  270.833   24.781  194.134   5.3369  199.672   9.1585 -5.537888 10.60008 
1 1 1   -2   13   17 o  259.559   5.5673  468.513   17.033  480.625   19.849  434.672   33.176  266.207   5.5021  252.910   9.6802 13.29790 11.13458 
1 1 1   -2   13   18 f   72.930   7.8394   31.674   7.0240   20.271   8.4110   57.954   12.769   53.532   11.903   92.328   10.205 -38.79621 15.67872 
1 1 1   -2   13   19 o  282.664   5.6923  548.908   18.937  555.573   21.969  529.642   37.355  286.195   5.6646  279.132   9.8753 7.062622 11.38463 
1 1 1   -2   13   20 o  357.198   6.2187  864.612   26.038  862.438   30.035  871.190   52.241  356.533   6.2165  357.862   10.772 -1.329773 12.43739 
1 1 1   -2   13   21 o  171.803   5.3660  200.196   12.493  200.196   12.493   0.0000   0.0000  171.803   5.3660  ?   ?       ?      ? 
1 1 1   -2   13   22 o  132.626   5.6266  119.319   10.113  119.319   10.113   0.0000   0.0000  132.626   5.6266  ?   ?       ?      ? 
1 1 1   -2   13   23 o  146.777   5.5637  147.746   9.5721  149.201   11.076  143.450   19.027  148.307   5.5110  145.248   9.6669 3.058762 11.12740 
1 1 1   -2   13   24 o  220.946   5.4525  338.098   14.198  345.154   16.522  318.174   27.765  225.571   5.4049  216.321   9.4713 9.249741 10.90495 
1 1 1   -2   13   25 o  321.346   5.9206  692.975   22.317  684.502   25.690  719.035   45.052  317.615   5.9687  325.078   10.227 -7.463989 11.84115 
1 1 1   -2   13   26 o  205.796   5.3667  285.479   13.081  283.213   15.149  292.122   25.937  204.320   5.4714  207.271   9.2342 -2.951447 10.73342 
1 1 1   -2   13   27 o  215.863   5.2810  306.594   13.548  296.497   15.628  337.133   27.179  209.050   5.5164  222.675   9.0070 -13.62431 10.56206 
1 1 1   -2   13   28 o  281.632   6.9758  539.583   26.611  517.367   37.313  562.581   37.963  275.719   9.9864  287.545   9.7426 -11.82611 13.95161 
1 1 1   -2   13   29 o  145.691   9.7749  144.448   19.299  144.448   19.299   0.0000   0.0000  145.691   9.7749  ?   ?       ?      ? 
1 1 1   -2   13   30 o  154.866   6.5411  162.833   13.727  162.833   13.727   0.0000   0.0000  154.866   6.5411  ?   ?       ?      ? 
1 1 1   -2   13   31 o  187.577   5.6539  241.521   13.522  246.358   16.616  232.039   23.265  190.488   6.4370  184.665   9.2969 5.822006 11.30786 
1 1 1   -2   13   32 f  194.951   5.2765  255.259   12.429  251.732   14.537  264.846   23.966  192.598   5.5700  197.305   8.9633 -4.706894 10.55299 
1 1 1   -2   13   33 o   40.917   9.2694   11.490   5.8223   13.764   7.0563   6.6394   10.306   44.126   11.635   37.708   14.434 6.417824 18.53885 
1 1 1   -2   13   34 o  125.096   5.5692  104.913   8.5204  103.017   10.032  109.822   16.141  123.183   6.0098  127.008   9.3780 -3.825447 11.13836 
1 1 1   -2   13   35 o  110.330   7.4800   81.230   11.034  102.633   16.934   65.438   14.546  122.716   10.183   97.943   10.959 24.77298 14.96000 
1 1 1   -2   13   36 o  174.370   5.7965  205.928   12.658  209.163   22.849  204.496   15.204  175.225   9.6223  173.515   6.4659 1.710312 11.59297 
1 1 1   -2   13   37 o  113.443   5.1725   87.241   7.9401   93.728   11.560   81.448   10.925  117.427   7.2647  109.459   7.3650 7.967537 10.34494 
1 1 1   -2   13   38 o  276.895   4.9066  521.038   18.410  523.256   26.170  518.865   25.904  277.475   6.9597  276.314   6.9181 1.161499 9.813154 
1 1 1   -2   13   39 o  174.745   4.6959  207.556   11.116  204.289   15.852  210.716   15.592  173.383   6.7468  176.106   6.5335 -2.722580 9.391835 
1 1 1   -2   13   40 o  209.727   4.6904  298.867   13.329  301.247   19.044  296.581   18.661  210.542   6.6748  208.913   6.5914 1.629349 9.380867 
1 1 1   -2   13   41 o  132.677   4.9862  119.253   8.9470  129.969   13.077  109.821   12.268  138.265   6.9792  127.088   7.1233 11.17729 9.972493 
1 1 1   -2   13   42 o  144.802   6.7648  142.560   13.206  123.460   18.166  163.965   19.231  134.508   9.9663  155.096   9.1501 -20.58813 13.52968 
1 1 1   -2   13   43 o  182.102   6.6841  224.740   16.360  268.545   24.119  187.412   22.265  198.493   8.9668  165.710   9.9149 32.78253 13.36817 
1 1 1   -2   13   44 o  198.645   4.7463  268.670   12.758  257.293   18.265  279.508   17.828  194.510   6.9295  202.779   6.4877 -8.268951 9.492536 
1 1 1   -2   13   45 o  135.967   5.0027  125.723   9.2040  126.380   13.401  125.136   12.663  136.290   7.2557  135.645   6.8892 0.6448364 10.00532 
1 1 1   -2   13   46 o  206.005   4.8277  288.739   13.468  285.550   19.343  291.740   18.764  204.884   6.9668  207.125   6.6851 -2.240845 9.655396 
1 1 1   -2   13   47 o  105.014   5.7950   75.846   8.1689   67.098   11.902   83.636   11.232   99.186   8.8550  110.841   7.4779 -11.65508 11.59004 
1 1 1   -2   13   48 o   54.479   8.8893   21.210   6.4121   20.786   9.5051   21.564   8.6862   53.927   13.130   55.030   11.987 -1.103966 17.77868 
1 1 1   -2   13   49 o  204.747   4.8376  285.711   13.389  262.518   18.934  308.910   18.936  196.387   7.1144  213.107   6.5570 -16.72018 9.675167 
1 1 1   -2   13   50 o  121.605   5.3405  100.243   8.7555  105.415   13.188   96.166   11.708  124.373   7.8248  118.838   7.2702 5.534798 10.68096 
1 1 1   -2   13   51 o  121.066   5.3604  100.637   8.7139   92.871   12.914  107.130   11.807  116.690   8.1664  125.442   6.9457 -8.752441 10.72072 
1 1 1   -2   13   52 o  146.960   5.1030  147.629   10.111  141.480   14.886  152.896   13.777  144.063   7.6248  149.857   6.7842 -5.794205 10.20603 
1 1 1   -2   13   53 o  185.273   6.1047  233.594   14.154  236.909   25.560  232.128   16.998  185.927   10.145  184.618   6.7941 1.308212 12.20945 
1 1 1   -2   13   54 o  208.012   5.9983  285.903   15.665  321.681   28.790  270.855   18.671  216.653   9.8062  199.371   6.9108 17.28255 11.99668 
1 1 1   -2   13   55 o  149.219   5.1719  152.476   10.415  143.294   15.126  160.756   14.363  144.875   7.7045  153.563   6.9019 -8.687927 10.34386 
1 1 1   -2   13   56 o   73.531   7.3748   37.483   7.2555   35.050   10.957   39.383   9.6828   71.289   11.341   75.772   9.4299 -4.483055 14.74959 
1 1 1   -2   13   57 o  169.481   5.0080  196.881   11.453  179.342   16.398  213.584   16.002  162.010   7.4690  176.951   6.6733 -14.94057 10.01597 
1 1 1   -2   13   58 o  105.102   6.9775   74.845   9.6939   70.883   12.277   81.405   15.797  101.619   8.9155  108.585   10.736 -6.966003 13.95499 
1 1 1   -2   13   59 o  113.700   8.3626   88.692   12.885   88.692   12.885   0.0000   0.0000  113.700   8.3626  ?   ?       ?      ? 
1 1 1   -2   13   60 f   86.590   9.6507   52.628   11.302   53.100   16.537   52.215   15.481   86.863   14.049   86.317   13.235 0.5460052 19.30134 
1 1 1   -2   13   61 o   54.280   9.4204   21.252   6.7863   23.024   10.667   20.047   8.7958   56.053   14.066   52.507   12.535 3.545666 18.84080 
1 1 1   -2   13   62 o  114.181   5.7071   91.030   8.6912   78.615   12.868  101.443   11.785  106.730   8.8972  121.632   7.1501 -14.90221 11.41423 
1 1 1   -2   13   63 o  117.250   5.5422   95.369   8.7241   87.441   12.896  102.060   11.846  112.573   8.4536  121.928   7.1696 -9.355721 11.08448 
1 1 1   -2   13   64 o   82.162   6.8469   48.725   7.3128   35.728   10.842   59.573   9.9049   71.363   11.212   92.961   7.8626 -21.59804 13.69378 
1 1 1   -2   13   65 o   33.250   9.7181   0.5141   6.4452   9.8467   12.722  -2.7084   7.4756   41.948   16.041   24.552   10.975 17.39667 19.43628 
1 1 1   -2   13   66 o   43.091   9.4358   14.208   6.9207  -2.4670   13.341   20.347   8.0951   33.530   14.844   52.653   11.653 -19.12380 18.87160 
1 1 1   -2   13   67 f   50.213   13.716   18.885   9.5971   18.885   9.5971   0.0000   0.0000   50.213   13.716  ?   ?       ?      ? 
1 1 1   -2   13   68 o   44.019   10.078   14.588   6.8912   7.8936   12.848   17.292   8.1652   39.897   15.868   48.141   12.430 -8.244076 20.15664 
1 1 1   -2   13   69 o   29.639   8.9934   0.8682   6.3658  -5.2395   11.490   3.5734   7.6467   29.135   13.259   30.143   12.154 -1.008604 17.98681 
1 1 1   -2   13   70 o   81.939   8.3396   51.518   8.2436   41.544   13.889   56.943   10.243   73.722   14.419   90.156   8.3839 -16.43434 16.67929 
1 1 1   -2   13   71 o   76.090   8.8115   45.305   8.1229   35.656   13.624   50.628   10.118   67.449   15.262   84.731   8.8120 -17.28181 17.62304 
1 1 1   -2   13   72 o   63.529   9.5319   29.786   7.6200   35.485   13.183   26.926   9.3379   67.248   14.862   59.810   11.939 7.437752 19.06385 
1 1 1   -2   13   73 o   78.430   10.225   47.901   10.455   47.678   14.436   48.147   15.163   78.485   14.091   78.376   14.820 0.1086731 20.44928 
1 1 1   -2   13   74 o   47.600   11.451   17.829   8.8582   19.222   12.122   16.232   12.976   49.077   15.933   46.123   16.450 2.953510 22.90113 
1 1 1   -2   13   75 o   45.895   11.383   15.199   8.9663   8.9275   11.931   23.339   13.592   38.721   15.325   53.070   16.834 -14.34863 22.76512 
1 1 1   -2   13   76 o   64.445   14.813   33.505   12.666   33.505   12.666   0.0000   0.0000   64.445   14.813  ?   ?       ?      ? 
1 1 1   -2   13   77 o   84.025   12.506   53.445   14.240   53.445   14.240   0.0000   0.0000   84.025   12.506  ?   ?       ?      ? 
1 1 1   -2   13   78 o   76.596   10.516   47.872   10.452   51.232   13.656   43.121   16.240   82.243   12.253   70.949   17.093 11.29434 21.03142 
1 1 1   -2   13   79 o   61.071   11.643   32.521   9.8160   34.563   12.513   29.255   15.827   65.026   14.562   57.115   18.171 7.911224 23.28628 
1 1 1   -2   13   80 o   29.697   9.5064  -2.3336   8.1918   0.6482   10.377  -7.2659   13.346   30.117   13.221   29.277   13.663 0.8402863 19.01278 
1 1 1   -2   13   81 o   45.747   11.269   14.635   9.0187   5.2526   11.521   29.480   14.492   34.391   14.489   57.102   17.263 -22.71124 22.53799 
1 1 1   -2   13   82 o   63.016   17.364   36.461   15.302   0.0000   0.0000   36.461   15.302  ?   ?    63.016   17.364      ?      ? 
1 1 1   -2   13   83 o   65.537   11.655   38.580   10.294   35.619   13.783   42.315   15.481   63.018   16.085   68.057   16.870 -5.039223 23.30976 
1 1 1   -2   13   84 o   73.682   11.320   49.164   10.965   52.661   14.944   45.087   16.137   78.252   14.630   69.113   17.277 9.138832 22.63930 
1 1 1   -2   13   85 o   42.307   11.593   16.185   9.4660   16.797   12.469   15.353   14.543   42.886   15.995   41.729   16.784 1.156860 23.18503 
1 1 1   -2   13   86 o   33.648   10.281   2.6006   9.0355  -7.4515   12.091   15.313   13.597   26.392   12.526   40.904   16.306 -14.51216 20.56236 
1 1 1   -2   13   87 o   72.170   11.156   50.661   10.973   64.185   15.453   36.905   15.585   86.182   13.232   58.159   17.964 28.02323 22.31127 
1 1 1   -2   14    1 o  419.905   5.8951  1197.53   33.536  1194.21   46.848  1201.01   48.027  419.320   8.2445  420.490   8.4284 -1.169800 11.79022 
1 1 1   -2   14    2 o  359.817   5.4532  879.347   26.581  899.887   37.453  858.500   37.732  364.064   7.5916  355.570   7.8307 8.493408 10.90649 
1 1 1   -2   14    3 o  183.072   5.8222  229.940   13.788  219.709   22.989  235.688   17.231  179.790   9.4358  186.353   6.8232 -6.562653 11.64431 
1 1 1   -2   14    4 o  248.803   5.9294  420.259   19.006  421.193   32.370  419.767   23.480  248.918   9.5963  248.688   6.9672 0.2303925 11.85879 
1 1 1   -2   14    5 o   81.206   8.8992   49.823   8.6587   33.828   14.213   59.262   10.919   69.013   15.568   93.398   8.6269 -24.38513 17.79844 
1 1 1   -2   14    6 o  552.048   8.6255  2069.05   60.891  2096.88  105.568  2055.18   74.539  554.340   14.053  549.756   10.005 4.584045 17.25101 
1 1 1   -2   14    7 o  148.542   4.9759  148.050   9.9576  132.984   13.256  167.558   15.084  139.971   6.9888  157.113   7.0849 -17.14128 9.951873 
1 1 1   -2   14    8 o  297.913   5.0660  602.649   20.441  608.018   28.517  596.975   29.315  299.289   7.0313  296.538   7.2950 2.750977 10.13197 
1 1 1   -2   14    9 o  197.720   4.7551  264.408   12.714  251.601   17.309  279.415   18.737  192.542   6.6337  202.897   6.8145 -10.35466 9.510165 
1 1 1   -2   14   10 o  346.611   5.3707  815.170   25.211  799.408   34.926  832.318   36.428  343.123   7.5114  350.098   7.6783 -6.975067 10.74138 
1 1 1   -2   14   11 o  178.969   4.7753  217.822   11.558  227.162   16.085  207.852   16.619  182.955   6.4879  174.983   7.0086 7.972000 9.550579 
1 1 1   -2   14   12 o   76.638   6.6244   39.832   6.7927   31.761   9.3075   49.031   9.9359   68.332   10.051   84.945   8.6315 -16.61260 13.24890 
1 1 1   -2   14   13 o  280.076   5.9901  522.628   21.180  505.401   25.460  561.347   38.169  272.860   6.8855  287.293   9.8039 -14.43298 11.98024 
1 1 1   -2   14   14 o  201.789   5.7206  276.889   14.604  277.383   17.731  275.848   25.751  202.163   6.4723  201.415   9.4346 0.7485504 11.44122 
1 1 1   -2   14   15 o  206.483   6.4433  289.367   18.029  289.367   18.029   0.0000   0.0000  206.483   6.4433  ?   ?       ?      ? 
1 1 1   -2   14   16 o   91.645   7.5866   57.043   9.4219   57.043   9.4219   0.0000   0.0000   91.645   7.5866  ?   ?       ?      ? 
1 1 1   -2   14   17 o  155.967   5.6156  165.042   11.869  165.042   11.869   0.0000   0.0000  155.967   5.6156  ?   ?       ?      ? 
1 1 1   -2   14   18 o  233.825   5.4716  368.930   15.061  366.432   17.392  376.421   30.118  232.400   5.5226  235.250   9.4474 -2.849762 10.94316 
1 1 1   -2   14   19 o   64.950   8.6552   33.159   6.3610   37.228   7.4281   21.972   12.317   74.034   7.4039   55.866   15.647 18.16848 17.31035 
1 1 1   -2   14   20 o  250.344   5.5713  429.125   16.370  432.485   18.944  419.220   32.525  252.470   5.5371  248.219   9.6694 4.251572 11.14258 
1 1 1   -2   14   21 o  236.356   5.6137  391.616   15.583  404.615   18.163  355.373   30.330  244.199   5.4887  228.512   9.7943 15.68665 11.22738 
1 1 1   -2   14   22 o  362.528   6.3210  889.673   26.760  885.630   30.797  902.136   54.066  361.198   6.2918  363.858   10.965 -2.660736 12.64202 
1 1 1   -2   14   23 o  143.566   5.7952  146.086   9.6733  152.338   11.251  128.369   18.941  149.832   5.5414  137.299   10.180 12.53271 11.59043 
1 1 1   -2   14   24 o  196.707   5.3697  255.074   12.427  247.502   14.271  278.835   25.281  190.979   5.5142  202.434   9.2156 -11.45549 10.73933 
1 1 1   -2   14   25 o  249.191   5.5838  422.539   16.370  423.008   18.934  421.152   32.573  249.661   5.5964  248.721   9.6642 0.9402924 11.16769 
1 1 1   -2   14   26 o  170.759   5.3249  190.946   10.813  183.613   12.463  213.272   21.745  164.483   5.5912  177.035   9.0639 -12.55200 10.64972 
1 1 1   -2   14   27 o  150.593   5.6382  161.447   10.049  170.098   11.830  139.027   19.044  158.314   5.5141  142.872   9.8362 15.44188 11.27633 
1 1 1   -2   14   28 o   91.827   6.4130   56.620   7.1813   55.646   8.4417   59.171   13.661   90.505   6.8829   93.149   10.823 -2.643600 12.82603 
1 1 1   -2   14   29 o  167.813   5.4313  193.138   10.869  195.047   12.692  187.884   21.053  169.518   5.5249  166.108   9.3526 3.410400 10.86263 
1 1 1   -2   14   30 o  140.506   5.7319  140.438   9.5727  147.980   11.296  121.219   18.032  147.645   5.6457  133.367   9.9772 14.27875 11.46379 
1 1 1   -2   14   31 o  147.822   6.0233  150.714   11.674  157.344   14.936  140.301   18.717  152.147   7.2440  143.498   9.6252 8.648849 12.04662 
1 1 1   -2   14   32 o   94.639   7.2855   63.173   8.9985   71.831   11.810   51.191   13.894  102.733   8.4834   86.544   11.847 16.18949 14.57092 
1 1 1   -2   14   33 o  156.750   5.6848  173.982   10.701  182.846   12.690  152.164   19.909  164.102   5.7064  149.398   9.8338 14.70499 11.36960 
1 1 1   -2   14   34 o  128.444   7.7466  112.225   13.484  112.225   13.484   0.0000   0.0000  128.444   7.7466  ?   ?       ?      ? 
1 1 1   -2   14   35 o  176.172   5.8149  210.775   13.882  210.775   13.882   0.0000   0.0000  176.172   5.8149  ?   ?       ?      ? 
1 1 1   -2   14   36 o   98.289   7.0881   68.275   8.9951   75.446   11.507   57.009   14.423  105.284   8.0653   91.295   11.658 13.98836 14.17619 
1 1 1   -2   14   37 o  183.139   5.8081  228.671   13.866  229.523   17.399  227.187   22.954  183.729   6.9882  182.548   9.2791 1.180740 11.61621 
1 1 1   -2   14   38 o   80.026   9.7866   43.700   10.613   43.700   10.613   0.0000   0.0000   80.026   9.7866  ?   ?       ?      ? 
1 1 1   -2   14   39 o   88.045   8.8120   52.835   10.514   52.835   10.514   0.0000   0.0000   88.045   8.8120  ?   ?       ?      ? 
1 1 1   -2   14   40 o  130.576   5.0470  115.586   8.9090  127.536   12.994  104.984   12.238  136.933   7.0024  124.220   7.2703 12.71343 10.09409 
1 1 1   -2   14   41 o   71.701   7.0817   34.652   6.8249   41.500   10.283   29.261   9.1244   77.965   9.7328   65.437   10.290 12.52757 14.16342 
1 1 1   -2   14   42 o  194.838   4.8440  257.023   12.759  281.564   18.755  235.879   17.408  203.461   6.8021  186.215   6.8984 17.24631 9.687962 
1 1 1   -2   14   43 o  288.949   5.0664  568.277   19.835  559.493   28.142  576.948   27.961  286.716   7.2430  291.182   7.0862 -4.466125 10.13286 
1 1 1   -2   14   44 o  216.676   4.8202  317.997   14.122  346.153   20.757  293.736   19.268  225.568   6.7905  207.783   6.8430 17.78581 9.640371 
1 1 1   -2   14   45 o  187.343   4.8327  237.525   12.234  262.554   18.039  216.209   16.647  196.438   6.7765  178.247   6.8920 18.19142 9.665421 
1 1 1   -2   14   46 o  129.596   5.2977  115.293   9.2263  100.622   13.261  129.058   12.845  121.489   8.0549  137.702   6.8834 -16.21376 10.59537 
1 1 1   -2   14   47 o  214.765   4.8442  313.787   14.087  318.514   20.404  309.482   19.472  216.294   6.9612  213.237   6.7386 3.056732 9.688497 
1 1 1   -2   14   48 o  107.665   5.7089   78.498   8.2969   86.055   12.413   72.395   11.155  112.307   8.1564  103.023   7.9899 9.283989 11.41773 
1 1 1   -2   14   49 o  164.867   4.9819  185.412   11.101  181.781   16.214  188.616   15.230  163.309   7.3265  166.425   6.7528 -3.115982 9.963861 
1 1 1   -2   14   50 o  122.108   6.9897  103.407   10.414   99.340   19.357  105.064   12.354  120.087   11.895  124.130   7.3441 -4.042290 13.97933 
1 1 1   -2   14   51 o  230.335   4.9928  361.738   15.561  361.667   22.627  361.802   21.434  230.274   7.2512  230.395   6.8652 -0.1216125 9.985533 
1 1 1   -2   14   52 o  102.142   6.1436   72.975   8.3148   60.038   12.337   83.743   11.255   93.533   9.7330  110.751   7.4994 -17.21790 12.28710 
1 1 1   -2   14   53 o  129.083   5.3820  114.521   9.3528  106.212   13.708  121.758   12.793  124.602   8.1182  133.564   7.0681 -8.961807 10.76403 
1 1 1   -2   14   54 o  217.818   4.9266  323.578   14.520  330.395   21.206  317.561   19.924  219.940   7.1148  215.696   6.8164 4.243484 9.853127 
1 1 1   -2   14   55 o   63.691   9.9670   29.059   8.3506   25.080   11.152   34.137   12.600   58.704   14.178   68.677   14.013 -9.973003 19.93404 
1 1 1   -2   14   56 o  108.795   11.839   82.295   17.454   82.295   17.454   0.0000   0.0000  108.795   11.839  ?   ?       ?      ? 
1 1 1   -2   14   57 o   92.222   6.5069   57.855   8.0474   71.011   12.091   47.392   10.783  101.582   8.7834   82.862   9.6026 18.71987 13.01374 
1 1 1   -2   14   58 o  130.408   5.3134  116.962   9.3386  113.526   13.831  119.840   12.660  128.550   7.9398  132.266   7.0631 -3.715744 10.62676 
1 1 1   -2   14   59 o   66.029   7.7610   30.130   6.7299   36.447   10.437   25.635   8.8048   72.363   10.643   59.694   11.298 12.66868 15.52192 
1 1 1   -2   14   60 o   87.448   6.3386   53.157   7.4139   51.214   11.314   54.620   9.8148   85.882   9.7215   89.014   8.1365 -3.132362 12.67716 
1 1 1   -2   14   61 o  138.606   5.2001  132.431   9.7176  129.584   14.398  134.814   13.170  137.118   7.7484  140.093   6.9372 -2.974869 10.40011 
1 1 1   -2   14   62 o  124.983   5.4032  108.044   9.1005  104.947   13.486  110.634   12.331  123.203   8.0776  126.764   7.1785 -3.561333 10.80641 
1 1 1   -2   14   63 o  127.517   6.5865  111.128   10.426  119.304   19.309  107.763   12.387  130.057   10.956  124.977   7.3141 5.080444 13.17302 
1 1 1   -2   14   64 o  103.029   7.5558   79.746   9.3212   63.636   16.787   86.927   11.208   93.920   13.190  112.137   7.3754 -18.21719 15.11165 
1 1 1   -2   14   65 f   56.939   10.067   25.380   7.3814   21.403   13.559   27.054   8.7996   53.001   16.814   60.877   11.075 -7.875675 20.13351 
1 1 1   -2   14   66 o   97.281   7.3872   69.842   8.9216   59.779   15.467   74.859   10.922   90.822   12.567  103.740   7.7689 -12.91835 14.77447 
1 1 1   -2   14   67 o   72.206   9.4779   44.173   8.1725   25.739   14.062   53.575   10.043   56.982   16.955   87.430   8.4763 -30.44836 18.95580 
1 1 1   -2   14   68 o   33.098   9.6220   3.8095   6.4911   6.0495   11.653   2.8018   7.8159   36.760   14.940   29.436   12.130 7.323778 19.24398 
1 1 1   -2   14   69 o   86.401   8.3450   58.143   8.5305   46.191   14.718   64.190   10.468   77.198   14.604   95.603   8.0801 -18.40451 16.68997 
1 1 1   -2   14   70 o   33.854   10.149   1.8368   8.2786  -3.5672   11.468   7.7167   11.963   29.623   13.388   38.085   15.257 -8.462633 20.29753 
1 1 1   -2   14   71 o   27.062   8.8451  -8.4280   7.9185  -0.7782   10.955 -16.7973   11.459   30.555   13.493   23.569   11.441 6.985405 17.69028 
1 1 1   -2   14   72 o   81.388   9.8736   51.182   10.389   36.765   14.217   67.702   15.219   67.132   15.877   95.644   11.742 -28.51152 19.74724 
1 1 1   -2   14   73 o   56.464   11.619   26.603   9.4073   26.677   12.718   26.513   13.979   56.820   15.894   56.108   16.953 0.7119064 23.23845 
1 1 1   -2   14   74 o  115.875   8.1802   98.224   12.708   81.368   16.877  120.299   19.313  104.242   11.947  127.508   11.177 -23.26585 16.36032 
1 1 1   -2   14   75 o   98.231   11.601   72.157   15.443   72.157   15.443   0.0000   0.0000   98.231   11.601  ?   ?       ?      ? 
1 1 1   -2   14   76 o   49.550   10.992   17.013   9.1848   4.2184   11.946   35.516   14.365   34.501   14.656   64.599   16.385 -30.09855 21.98316 
1 1 1   -2   14   77 o   79.603   10.044   49.746   10.494   40.336   13.889   62.266   16.020   69.771   15.126   89.435   13.218 -19.66396 20.08804 
1 1 1   -2   14   78 o   43.315   11.434   14.835   8.9397   14.193   11.776   15.708   13.734   42.393   15.594   44.236   16.726 -1.842613 22.86817 
1 1 1   -2   14   79 o   29.024   9.3722  -3.2872   8.0383  -5.2512   10.417  -0.3960   12.638   26.394   12.234   31.655   14.202 -5.261042 18.74435 
1 1 1   -2   14   80 o   51.046   17.739   24.435   15.018   0.0000   0.0000   24.435   15.018  ?   ?    51.046   17.739      ?      ? 
1 1 1   -2   14   81 o   45.568   17.282   18.851   14.690   0.0000   0.0000   18.851   14.690  ?   ?    45.568   17.282      ?      ? 
1 1 1   -2   14   82 o   40.636   11.204   12.701   9.1488   6.0998   12.347   20.737   13.623   34.524   14.788   46.748   16.836 -12.22331 22.40884 
1 1 1   -2   14   83 o   43.020   11.587   17.279   9.5160   20.397   12.875   13.525   14.127   45.976   16.388   40.065   16.385 5.910427 23.17350 
1 1 1   -2   14   84 o   34.786   10.580   7.3468   9.1450   10.658   12.193   3.0902   13.826   36.788   15.154   32.784   14.769 4.003323 21.16008 
1 1 1   -2   14   85 o   39.531   11.127   12.455   9.5035   2.3066   12.745   25.165   14.263   31.111   14.082   47.951   17.231 -16.83987 22.25334 
1 1 1   -2   15    1 o  108.740   6.8371   82.502   9.1887   85.693   11.061   75.396   16.507  112.321   7.2667  105.159   11.583 7.162682 13.67415 
1 1 1   -2   15    2 o  300.956   6.2669  612.952   23.818  607.747   28.800  624.216   42.367  299.140   7.1046  302.771   10.326 -3.631104 12.53387 
1 1 1   -2   15    3 o  207.341   6.0339  301.456   15.659  318.179   19.125  267.440   27.276  216.486   6.5192  198.196   10.156 18.28998 12.06790 
1 1 1   -2   15    4 o  230.001   5.8672  350.666   16.953  336.684   20.264  383.279   30.948  222.678   6.7153  237.324   9.6229 -14.64624 11.73439 
1 1 1   -2   15    5 f  152.688   6.0870  161.298   11.630  166.059   14.094  151.137   20.588  156.388   6.6502  148.988   10.197 7.400360 12.17397 
1 1 1   -2   15    6 o  410.609   5.8709  1146.17   32.654  1189.82   46.360  1103.20   46.001  418.387   8.1769  402.831   8.4267 15.55597 11.74185 
1 1 1   -2   15    7 o  129.957   5.1691  114.377   9.0635  111.221   12.187  118.281   13.557  127.970   7.0277  131.944   7.5823 -3.973640 10.33829 
1 1 1   -2   15    8 o  129.392   5.1568  112.899   8.9903  106.462   11.967  121.239   13.622  125.200   7.0533  133.585   7.5248 -8.385132 10.31367 
1 1 1   -2   15    9 f   75.894   9.4385   42.799   8.0448   45.535   9.3401   34.938   15.834   81.837   8.4220   69.951   16.894 11.88647 18.87702 
1 1 1   -2   15   10 o  279.776   6.2638  524.213   21.815  512.135   25.981  553.079   40.166  274.599   6.9818  284.953   10.402 -10.35327 12.52759 
1 1 1   -2   15   11 o  252.561   6.2076  438.393   19.536  445.683   23.514  422.149   35.100  256.180   6.7733  248.942   10.405 7.237686 12.41512 
1 1 1   -2   15   12 o   88.769   6.1297   53.323   7.3331   51.184   9.7901   56.056   11.068   86.764   8.3265   90.774   8.9979 -4.009361 12.25942 
1 1 1   -2   15   13 o  239.491   5.5164  370.308   15.218  354.079   17.247  427.342   32.333  228.419   5.5720  250.563   9.5224 -22.14392 11.03283 
1 1 1   -2   15   14 o  336.390   6.1193  739.485   23.612  714.522   26.770  826.972   50.116  324.428   6.0889  348.351   10.616 -23.92242 12.23852 
1 1 1   -2   15   15 o  180.223   5.5508  224.542   11.586  228.161   13.352  213.511   23.312  183.365   5.3733  177.080   9.7145 6.285675 11.10151 
1 1 1   -2   15   16 o   87.202   7.8955   58.028   7.2869   62.849   8.3868   43.180   14.719   96.205   6.4330   78.199   14.421 18.00623 15.79100 
1 1 1   -2   15   17 o  162.885   5.4883  175.413   10.415  170.891   11.913  190.080   21.456  158.681   5.5399  167.088   9.4760 -8.406830 10.97661 
1 1 1   -2   15   18 o  215.647   5.5017  313.918   13.814  311.818   15.867  320.494   28.081  214.348   5.4626  216.946   9.5517 -2.597733 11.00342 
1 1 1   -2   15   19 o  229.452   5.5767  359.586   14.961  361.195   17.267  354.741   29.967  230.688   5.5235  228.216   9.6897 2.472580 11.15343 
1 1 1   -2   15   20 o  223.607   5.5340  338.267   14.480  336.610   16.680  343.335   29.175  222.695   5.5272  224.518   9.5892 -1.823044 11.06804 
1 1 1   -2   15   21 o   88.723   7.2020   57.208   7.2776   60.709   8.4353   47.017   14.393   94.537   6.5843   82.908   12.811 11.62959 14.40410 
1 1 1   -2   15   22 o  128.851   5.7177  110.666   8.7316  108.344   10.085  117.617   17.450  126.323   5.8913  131.380   9.8012 -5.057182 11.43549 
1 1 1   -2   15   23 o  205.502   5.4465  278.241   13.185  269.581   15.146  305.341   26.793  199.277   5.6087  211.727   9.3381 -12.45009 10.89301 
1 1 1   -2   15   24 o  359.970   6.3542  875.208   26.771  868.248   30.819  896.602   54.033  357.523   6.3611  362.417   11.002 -4.893341 12.70842 
1 1 1   -2   15   25 o  136.663   6.3567  128.606   11.113  131.639   13.718  122.813   18.958  139.153   7.2746  134.173   10.426 4.980682 12.71338 
1 1 1   -2   15   26 o  274.369   7.2533  513.430   26.947  515.851   38.922  511.202   37.346  274.956   10.446  273.783   10.066 1.173523 14.50651 
1 1 1   -2   15   27 o  300.359   7.4389  614.977   30.248  632.053   43.969  599.633   41.679  304.283   10.663  296.435   10.375 7.847626 14.87775 
1 1 1   -2   15   28 o  170.390   5.9876  195.619   13.063  191.542   15.958  203.898   22.742  167.855   7.0155  172.924   9.7051 -5.068130 11.97525 
1 1 1   -2   15   29 o  210.706   5.8027  295.961   15.684  283.610   19.110  321.446   27.451  204.254   6.9041  217.158   9.3283 -12.90404 11.60537 
1 1 1   -2   15   30 o  143.600   5.9895  138.334   11.137  133.583   13.734  147.456   19.030  140.151   7.2315  147.048   9.5498 -6.896683 11.97890 
1 1 1   -2   15   31 o  245.202   6.0488  416.553   19.050  432.952   23.718  386.743   31.977  252.341   6.9359  238.064   9.9120 14.27710 12.09768 
1 1 1   -2   15   32 o   82.987   7.0521   44.115   7.2960   40.124   8.5899   54.453   13.823   76.759   8.2581   89.215   11.434 -12.45625 14.10417 
1 1 1   -2   15   33 o  240.682   5.7239  400.167   16.277  406.351   18.942  382.705   31.828  244.588   5.7147  236.776   9.9194 7.812775 11.44785 
1 1 1   -2   15   34 o  178.849   5.8136  217.305   14.090  217.305   14.090   0.0000   0.0000  178.849   5.8136  ?   ?       ?      ? 
1 1 1   -2   15   35 o  194.678   5.8414  257.495   15.411  257.495   15.411   0.0000   0.0000  194.678   5.8414  ?   ?       ?      ? 
1 1 1   -2   15   36 o  315.982   6.2098  700.233   23.382  723.378   27.468  639.341   44.553  326.228   6.2133  305.736   10.754 20.49268 12.41954 
1 1 1   -2   15   37 o  222.828   5.6228  333.296   15.022  327.803   17.481  348.807   29.373  219.636   5.8731  226.021   9.5900 -6.384995 11.24551 
1 1 1   -2   15   38 o  136.286   6.0495  128.635   9.9864  131.207   11.801  122.147   18.743  138.921   6.2685  133.652   10.349 5.270020 12.09907 
1 1 1   -2   15   39 o  109.377   6.9875   80.543   10.216   74.863   13.218   88.969   16.100  104.712   9.3154  114.042   10.418 -9.330482 13.97505 
1 1 1   -2   15   40 o  156.483   7.6502  166.802   16.223  166.802   16.223   0.0000   0.0000  156.483   7.6502  ?   ?       ?      ? 
1 1 1   -2   15   41 o   45.626   12.949   14.698   8.3777   14.698   8.3777   0.0000   0.0000   45.626   12.949  ?   ?       ?      ? 
1 1 1   -2   15   42 f  261.074   5.7384  463.793   17.936  462.618   20.928  467.044   34.814  260.846   5.9204  261.301   9.8318 -0.4543457 11.47674 
1 1 1   -2   15   43 o  180.596   5.6224  224.553   12.390  227.406   14.681  217.494   23.096  182.869   5.9243  178.324   9.5575 4.544891 11.24471 
1 1 1   -2   15   44 o   86.231   8.3195   54.442   8.8807   62.358   11.392   42.176   14.180   95.533   8.7993   76.929   14.122 18.60410 16.63902 
1 1 1   -2   15   45 o  167.529   4.9496  191.378   11.219  188.338   16.252  194.145   15.508  166.228   7.2145  168.830   6.7782 -2.601898 9.899148 
1 1 1   -2   15   46 o  233.285   6.1280  372.777   18.046  370.222   31.900  373.980   21.885  232.309   10.133  234.260   6.8939 -1.951477 12.25592 
1 1 1   -2   15   47 o  115.696   6.7640   86.504   9.7527  105.316   18.440   79.197   11.491  123.709   11.000  107.682   7.8750 16.02630 13.52796 
1 1 1   -2   15   48 o  142.818   5.1065  138.184   9.8457  151.948   14.710  127.014   13.252  149.206   7.2751  136.430   7.1679 12.77580 10.21298 
1 1 1   -2   15   49 o   97.857   5.8922   65.104   7.7829   70.724   11.656   60.582   10.455  101.626   8.4635   94.088   8.2002 7.538132 11.78444 
1 1 1   -2   15   50 o  118.853   5.5759   97.898   8.8576   82.072   12.804  112.422   12.266  109.406   8.6364  128.300   7.0550 -18.89342 11.15170 
1 1 1   -2   15   51 o  114.723   7.9894   91.979   12.287   78.517   17.646  104.649   17.119  106.282   12.252  123.165   10.257 -16.88339 15.97875 
1 1 1   -2   15   52 o   57.906   10.342   24.764   8.0384   26.268   10.359   22.487   12.745   60.222   13.069   55.590   16.033 4.632092 20.68471 
1 1 1   -2   15   53 o  102.858   9.0059   72.855   12.553   72.855   12.553   0.0000   0.0000  102.858   9.0059  ?   ?       ?      ? 
1 1 1   -2   15   54 o   98.532   6.0374   66.873   8.0018   66.411   12.044   67.238   10.706   98.131   9.0571   98.933   7.9856 -0.8020248 12.07479 
1 1 1   -2   15   55 f   87.450   6.6642   54.437   7.6583   43.175   11.454   63.544   10.299   78.764   10.731   96.136   7.9056 -17.37162 13.32849 
1 1 1   -2   15   56 o   76.211   6.9381   39.704   7.0942   44.732   11.022   36.147   9.2698   80.206   10.140   72.217   9.4722 7.988792 13.87623 
1 1 1   -2   15   57 o  121.538   5.4061  102.389   8.8266   95.330   13.088  108.278   11.955  117.519   8.2182  125.557   7.0260 -8.038261 10.81221 
1 1 1   -2   15   58 o  122.651   5.4065  103.346   8.9182  106.737   13.557  100.760   11.841  124.303   8.0479  120.999   7.2216 3.304527 10.81294 
1 1 1   -2   15   59 o   93.711   6.0822   61.438   7.6134   57.569   11.567   64.394   10.112   90.874   9.3932   96.548   7.7291 -5.674423 12.16439 
1 1 1   -2   15   60 o   66.844   9.5276   36.698   7.4312   24.493   14.274   41.236   8.7037   56.622   17.136   77.067   8.3339 -20.44544 19.05528 
1 1 1   -2   15   61 o   92.952   7.1908   56.445   8.2660   72.127   15.949   50.686   9.6655  100.555   11.704   85.350   8.3568 15.20506 14.38151 
1 1 1   -2   15   62 o   79.754   9.3236   51.740   8.2782   36.729   15.558   57.669   9.7772   68.438   16.881   91.071   7.9223 -22.63268 18.64719 
1 1 1   -2   15   63 o   79.874   8.4367   45.277   7.9668   49.415   15.221   43.716   9.3497   80.774   14.436   78.973   8.7365 1.800545 16.87339 
1 1 1   -2   15   64 o   50.124   10.002   20.296   6.9314   13.773   13.322   22.718   8.1164   44.875   16.573   55.372   11.201 -10.49672 20.00352 
1 1 1   -2   15   65 o   77.235   8.5092   42.613   7.9138   47.489   14.747   40.641   9.3787   78.672   14.362   75.799   9.1305 2.873161 17.01832 
1 1 1   -2   15   66 o   46.882   9.6877   18.247   7.0432   6.4839   12.787   23.370   8.4389   37.961   15.564   55.803   11.540 -17.84245 19.37536 
1 1 1   -2   15   67 o   51.998   10.736   20.693   8.9006   33.253   12.658   8.4098   12.518   64.911   14.728   39.086   15.625 25.82474 21.47188 
1 1 1   -2   15   68 o   60.115   11.335   29.294   9.4274   25.458   12.892   33.703   13.821   55.837   16.132   64.394   15.927 -8.557049 22.66954 
1 1 1   -2   15   69 o   42.543   11.103   12.240   8.7785   5.9359   12.313   18.756   12.519   36.655   15.175   48.430   16.212 -11.77533 22.20608 
1 1 1   -2   15   70 o   31.779   9.8092   0.7058   7.9895  -0.7082   11.251   2.1441   11.347   30.770   13.626   32.788   14.114 -2.017290 19.61832 
1 1 1   -2   15   71 o   38.127   10.758   8.0822   8.5448   12.488   12.069   3.6540   12.100   41.730   15.702   34.524   14.710 7.205936 21.51586 
1 1 1   -2   15   72 o   29.024   9.1058  -6.9812   8.0716   6.9696   11.149 -22.3469   11.701   36.086   14.632   21.962   10.843 14.12487 18.21160 
1 1 1   -2   15   73 o   39.964   15.351   11.131   11.683   11.131   11.683   0.0000   0.0000   39.964   15.351  ?   ?       ?      ? 
1 1 1   -2   15   74 o   63.824   15.038   33.812   12.793   33.812   12.793   0.0000   0.0000   63.824   15.038  ?   ?       ?      ? 
1 1 1   -2   15   75 o   39.982   11.021   9.7978   8.7882   3.5976   11.572   18.248   13.509   33.390   14.310   46.574   16.766 -13.18486 22.04253 
1 1 1   -2   15   76 o   57.202   11.653   29.328   9.6135   32.239   12.897   25.689   14.421   61.221   15.524   53.182   17.383 8.039104 23.30595 
1 1 1   -2   15   77 o   57.182   11.842   28.751   9.8611   21.458   12.958   38.787   15.200   48.973   16.493   65.391   16.996 -16.41879 23.68336 
1 1 1   -2   15   78 o   25.542   8.6177 -11.2613   8.1523 -16.3909   10.726  -4.2445   12.545   21.949   10.745   29.135   13.476 -7.185652 17.23533 
1 1 1   -2   15   79 o   27.970   13.121  -6.3084   12.579   0.0000   0.0000  -6.3084   12.579  ?   ?    27.970   13.121      ?      ? 
1 1 1   -2   15   80 o   31.317   9.9360   1.3442   8.7436   1.7239   11.988   0.9126   12.780   31.206   13.928   31.427   14.174 -0.2209892 19.87194 
1 1 1   -2   15   81 o   35.340   10.557   6.4444   8.9714  -1.1497   12.076   15.799   13.403   29.333   13.441   41.348   16.282 -12.01497 21.11320 
1 1 1   -2   15   82 o   29.233   9.4998  -2.2431   8.7665  -8.9332   12.123   5.0906   12.692   25.567   12.247   32.899   14.526 -7.331753 18.99959 
1 1 1   -2   15   83 o   41.717   10.840   14.054   9.1957   0.1648   12.322   31.513   13.815   29.415   13.516   54.019   16.951 -24.60365 21.67987 
1 1 1   -2   16    1 o  144.055   6.3769  138.230   11.261  134.295   13.249  148.472   21.373  140.582   6.9546  147.529   10.691 -6.946182 12.75390 
1 1 1   -2   16    2 o  199.735   6.2683  285.073   15.405  307.594   18.713  237.721   27.134  212.799   6.4892  186.671   10.726 26.12785 12.53660 
1 1 1   -2   16    3 o  172.240   5.0069  202.848   11.588  213.088   15.658  190.448   17.231  177.114   6.5238  167.366   7.5972 9.748611 10.01390 
1 1 1   -2   16    4 o   95.707   5.9829   61.670   7.7160   56.053   10.274   68.939   11.686   90.765   8.3528  100.648   8.5680 -9.883095 11.96578 
1 1 1   -2   16    5 o  201.131   4.8646  274.894   13.229  275.111   18.109  274.647   19.371  201.236   6.6405  201.027   7.1108 0.2085571 9.729285 
1 1 1   -2   16    6 o  162.023   4.9509  178.345   10.833  177.787   14.709  179.007   16.014  161.766   6.7098  162.281   7.2818 -0.5148773 9.901849 
1 1 1   -2   16    7 o  146.705   5.1322  147.885   10.062  174.125   14.127  120.866   14.334  160.103   6.5111  133.306   7.9350 26.79636 10.26445 
1 1 1   -2   16    8 o  164.455   4.9437  183.974   10.985  186.258   15.024  181.351   16.103  165.573   6.6962  163.337   7.2749 2.235764 9.887499 
1 1 1   -2   16    9 o   68.531   7.3317   32.086   6.7406   32.426   8.9498   31.640   10.247   68.985   9.5736   68.078   11.107 0.9075699 14.66344 
1 1 1   -2   16   10 o   77.943   6.8368   42.547   7.0156   48.591   9.3538   34.776   10.607   84.510   8.1676   71.376   10.966 13.13367 13.67359 
1 1 1   -2   16   11 o  142.742   5.0770  138.052   9.7865  133.468   13.211  143.627   14.569  140.139   6.9566  145.346   7.3967 -5.207123 10.15409 
1 1 1   -2   16   12 o  136.783   5.1343  127.463   9.4700  130.191   12.852  124.222   14.008  138.412   6.8519  135.153   7.6483 3.259003 10.26863 
1 1 1   -2   16   13 o  123.266   5.9787   98.434   8.4927   94.260   9.6309  113.029   18.009  117.811   6.0325  128.722   10.324 -10.91082 11.95739 
1 1 1   -2   16   14 o  145.113   5.8563  143.605   9.7904  143.874   11.215  142.743   20.074  145.567   5.6851  144.658   10.240 0.9096985 11.71263 
1 1 1   -2   16   15 o  242.342   5.6350  389.131   15.749  380.059   17.940  419.626   32.889  236.596   5.5953  248.089   9.7829 -11.49289 11.26997 
1 1 1   -2   16   16 o  103.979   6.4337   70.471   7.7760   67.656   8.8582   79.928   16.235   99.784   6.5509  108.175   11.075 -8.390297 12.86737 
1 1 1   -2   16   17 o  125.296   5.9527  102.749   8.7513   98.881   10.019  115.200   17.973  120.652   6.1279  129.940   10.207 -9.287880 11.90541 
1 1 1   -2   16   18 o  204.299   5.6693  292.057   13.485  300.239   15.631  268.244   26.668  210.288   5.4853  198.310   9.9234 11.97838 11.33855 
1 1 1   -2   16   19 o   75.882   8.4235   41.968   6.9903   43.672   8.0242   36.606   14.236   80.133   7.3894   71.631   15.140 8.501701 16.84692 
1 1 1   -2   16   20 o   61.224   8.9915   27.343   6.5093   28.711   7.5868   23.528   12.672   64.926   8.6230   57.521   15.781 7.405533 17.98290 
1 1 1   -2   16   21 o  152.410   6.1037  154.904   11.996  147.906   14.692  168.904   20.780  147.463   7.3521  157.357   9.7450 -9.893311 12.20735 
1 1 1   -2   16   22 o  223.205   5.9999  336.580   17.189  330.916   21.071  347.846   29.718  220.600   7.0484  225.810   9.7116 -5.210342 11.99977 
1 1 1   -2   16   23 o   96.341   7.2747   67.857   7.9403   72.200   9.1926   55.092   15.758  103.063   6.5819   89.619   12.975 13.44407 14.54931 
1 1 1   -2   16   24 o  112.479   6.1072   75.365   8.2376   64.759   9.3914  110.748   17.153   97.579   7.1022  127.378   9.9374 -29.79933 12.21445 
1 1 1   -2   16   25 o  220.816   5.7717  343.493   14.944  355.885   17.421  308.986   29.072  228.906   5.6162  212.725   10.085 16.18111 11.54333 
1 1 1   -2   16   26 o  135.199   5.9895  124.323   9.6531  124.086   11.237  124.991   18.858  135.130   6.1363  135.267   10.288 -0.1363373 11.97902 
1 1 1   -2   16   27 o  183.958   5.7172  232.623   12.435  234.931   14.454  226.049   24.390  185.965   5.7356  181.951   9.8917 4.013931 11.43433 
1 1 1   -2   16   28 o  129.416   6.0590  105.804   9.6433   95.636   11.230  134.347   18.816  118.572   6.9892  140.260   9.8993 -21.68783 12.11796 
1 1 1   -2   16   29 o  193.554   5.8653  254.555   15.384  254.555   15.384   0.0000   0.0000  193.554   5.8653  ?   ?       ?      ? 
1 1 1   -2   16   30 o   74.607   9.0671   37.974   9.1671   37.974   9.1671   0.0000   0.0000   74.607   9.0671  ?   ?       ?      ? 
1 1 1   -2   16   31 o  172.940   5.9119  198.763   11.871  194.155   13.565  213.826   24.526  169.024   5.9224  176.856   10.234 -7.832443 11.82382 
1 1 1   -2   16   32 o  243.794   5.7207  405.228   16.493  405.451   19.129  404.583   32.560  244.264   5.7789  243.324   9.8746 0.9402313 11.44132 
1 1 1   -2   16   33 f  137.886   5.7744  119.043   9.7065  107.107   11.231  154.271   19.294  125.483   6.6048  150.289   9.4737 -24.80589 11.54877 
1 1 1   -2   16   34 o  200.335   5.6580  274.156   13.515  274.846   15.752  272.229   26.310  201.095   5.7802  199.575   9.7283 1.519897 11.31597 
1 1 1   -2   16   35 o  221.286   5.6380  329.853   14.832  325.659   17.195  342.045   29.318  218.883   5.7971  223.688   9.6718 -4.804962 11.27607 
1 1 1   -2   16   36 o   74.547   8.2897   37.487   7.5275   35.602   8.9617   42.001   13.872   72.190   9.1607   76.904   13.819 -4.714195 16.57947 
1 1 1   -2   16   37 o   94.058   7.3175   63.470   8.2676   67.344   9.8410   54.176   15.243   99.424   7.3041   88.692   12.682 10.73199 14.63502 
1 1 1   -2   16   38 o   96.154   6.9840   63.130   8.2781   62.897   9.8373   63.697   15.322   96.055   7.5574   96.253   11.747 -0.1977463 13.96797 
1 1 1   -2   16   39 o  188.529   5.7055  241.867   12.928  241.041   15.116  244.118   24.952  188.244   5.9255  188.814   9.7520 -0.5699310 11.41109 
1 1 1   -2   16   40 o   82.189   7.7264   44.700   7.9643   42.105   9.4762   50.942   14.697   78.466   8.9119   85.912   12.624 -7.445755 15.45285 
1 1 1   -2   16   41 o  152.959   5.8130  157.102   10.854  153.633   12.756  166.205   20.662  150.216   6.2663  155.701   9.7926 -5.485214 11.62591 
1 1 1   -2   16   42 o  165.059   6.3269  188.830   13.746  197.172   17.700  176.154   21.820  169.932   7.6862  160.185   10.052 9.747391 12.65389 
1 1 1   -2   16   43 o  135.534   6.6422  125.331   11.915  122.976   15.226  129.050   19.136  134.068   8.3807  137.000   10.307 -2.932114 13.28433 
1 1 1   -2   16   44 o   82.564   7.6578   46.768   8.0587   46.335   9.8334   47.654   14.063   82.221   8.8255   82.906   12.517 -0.6849899 15.31560 
1 1 1   -2   16   45 f   88.403   9.2016   59.457   9.8755   74.211   12.921   38.734   15.313  103.965   9.1715   72.842   15.955 31.12328 18.40313 
1 1 1   -2   16   47 o   76.878   10.420   42.284   10.543   56.381   15.463   30.037   14.413   89.918   12.690   63.839   16.530 26.07922 20.83944 
1 1 1   -2   16   48 o   57.007   10.365   24.044   7.9814   25.607   10.280   21.672   12.663   59.397   13.122   54.617   16.049 4.779732 20.73026 
1 1 1   -2   16   49 o   68.293   11.363   32.452   10.516   32.452   10.516   0.0000   0.0000   68.293   11.363  ?   ?       ?      ? 
1 1 1   -2   16   50 o  110.521   5.7968   84.795   8.5925   72.909   12.373   95.867   11.942  102.827   8.8792  118.214   7.4545 -15.38702 11.59356 
1 1 1   -2   16   51 o   81.634   6.5066   45.849   7.1386   47.819   10.905   44.373   9.4429   83.072   9.6873   80.197   8.6889 2.875275 13.01311 
1 1 1   -2   16   52 o   96.099   5.9599   62.815   7.7008   74.545   11.666   53.758   10.251  103.965   8.2806   88.232   8.5738 15.73340 11.91971 
1 1 1   -2   16   53 o   72.893   6.9595   36.887   6.8273   37.779   10.325   36.195   9.1008   73.570   10.357   72.216   9.2996 1.353584 13.91905 
1 1 1   -2   16   54 o   43.096   9.2476   13.613   5.9899   9.6306   9.3913   16.344   7.7771   39.000   13.986   47.193   12.103 -8.193676 18.49522 
1 1 1   -2   16   55 o   67.497   7.4748   31.425   6.6025   39.017   10.432   26.351   8.5279   74.594   10.320   60.400   10.816 14.19427 14.94956 
1 1 1   -2   16   56 o   62.540   9.8132   30.457   7.3883   24.752   14.507   32.456   8.5853   56.904   17.287   68.177   9.2925 -11.27311 19.62641 
1 1 1   -2   16   57 o   45.365   9.8428   16.035   6.7074   7.4575   12.963   19.171   7.8382   39.765   15.898   50.965   11.609 -11.19964 19.68563 
1 1 1   -2   16   58 o   36.270   12.786   8.6738   7.8172   0.0000   0.0000   8.6738   7.8172  ?   ?    36.270   12.786      ?      ? 
1 1 1   -2   16   59 o   38.916   10.006   10.077   6.8134   2.7550   13.098   12.794   7.9777   36.115   15.344   41.717   12.847 -5.602039 20.01253 
1 1 1   -2   16   60 o   85.649   7.9766   50.916   8.4120   57.216   15.907   48.470   9.9112   88.242   13.303   83.056   8.8059 5.186020 15.95316 
1 1 1   -2   16   61 o   61.085   10.126   29.274   7.6307   25.953   14.948   30.444   8.8739   56.801   17.602   65.368   10.018 -8.567215 20.25285 
1 1 1   -2   16   62 o   37.352   10.245   6.8147   6.6183   12.732   13.150   4.8071   7.6591   43.487   16.385   31.216   12.303 12.27139 20.48982 
1 1 1   -2   16   63 o   85.700   7.6378   50.009   8.2203   61.924   15.313   45.186   9.7432   91.610   12.335   79.790   9.0109 11.81910 15.27569 
1 1 1   -2   16   64 o   81.245   10.160   51.165   10.812   41.696   15.149   60.996   15.436   71.940   15.957   90.550   12.580 -18.60958 20.31929 
1 1 1   -2   16   65 o   43.645   11.463   13.727   9.0381   13.855   12.872   13.603   12.694   43.800   16.268   43.490   16.154 0.3096199 22.92611 
1 1 1   -2   16   66 o   39.183   10.922   9.3409   8.5546   8.0755   12.352   10.507   11.859   38.315   15.448   40.051   15.444 -1.736382 21.84441 
1 1 1   -2   16   67 o   51.404   11.478   21.796   8.9358   21.990   13.051   21.624   12.261   51.526   16.512   51.281   15.949 0.2451439 22.95684 
1 1 1   -2   16   68 o   33.784   10.226   3.0697   8.3468   1.9553   12.120   4.0750   11.512   33.351   14.471   34.217   14.453 -0.8655663 20.45217 
1 1 1   -2   16   69 o   35.851   10.486   5.5686   8.4688   9.8567   11.840   1.0763   12.119   39.033   15.325   32.669   14.316 6.364086 20.97136 
1 1 1   -2   16   70 o   27.789   12.716  -4.1795   10.757  -4.1795   10.757   0.0000   0.0000   27.789   12.716  ?   ?       ?      ? 
1 1 1   -2   16   71 o   75.267   14.268   45.831   14.020   45.831   14.020   0.0000   0.0000   75.267   14.268  ?   ?       ?      ? 
1 1 1   -2   16   72 o   73.376   10.934   45.210   10.453   45.095   13.891   45.359   15.871   74.306   14.315   72.447   16.531 1.859009 21.86745 
1 1 1   -2   16   73 o   37.196   10.700   8.2717   8.6235   11.805   11.657   4.0010   12.816   39.845   15.327   34.547   14.935 5.298512 21.40009 
1 1 1   -2   16   74 o   36.632   10.714   7.9483   8.6666   9.1324   11.534   6.4128   13.134   37.144   14.945   36.119   15.356 1.024517 21.42808 
1 1 1   -2   16   75 o   57.875   11.786   30.584   9.7698   26.116   13.209   35.980   14.516   53.208   16.556   62.542   16.780 -9.334316 23.57225 
1 1 1   -2   16   76 o   35.337   10.466   5.9871   8.9560   13.539   12.151  -2.9938   13.251   40.470   15.626   30.205   13.929 10.26445 20.93275 
1 1 1   -2   16   77 o   45.516   16.882   19.846   13.853   0.0000   0.0000   19.846   13.853  ?   ?    45.516   16.882      ?      ? 
1 1 1   -2   16   78 o   28.746   9.4024  -3.0931   8.6128  -6.4211   11.674   0.8822   12.759   26.435   12.475   31.058   14.071 -4.622585 18.80470 
1 1 1   -2   16   79 o   60.582   11.963   37.183   10.192   34.636   13.995   40.059   14.874   58.378   16.791   62.785   17.044 -4.406883 23.92558 
1 1 1   -2   16   80 o   30.216   9.7133  -1.1457   8.9907 -10.4839   12.300   9.5668   13.174   24.941   12.046   35.491   15.241 -10.55065 19.42661 
1 1 1   -2   17    1 o   83.925   6.7009   46.981   7.5267   38.524   9.8945   58.597   11.596   75.144   9.7166   92.706   9.2300 -17.56204 13.40174 
1 1 1   -2   17    2 f   98.942   6.1264   66.623   8.1627   66.057   10.927   67.339   12.279   98.496   8.1864   99.389   9.1167 -0.8930054 12.25277 
1 1 1   -2   17    3 o  167.885   5.1125  192.139   11.565  196.089   15.640  187.372   17.179  169.830   6.7959  165.939   7.6397 3.891663 10.22490 
1 1 1   -2   17    4 o  268.077   5.1230  486.693   18.557  462.194   25.108  516.190   27.550  260.694   7.1071  275.461   7.3804 -14.76715 10.24604 
1 1 1   -2   17    5 o  157.646   5.1880  169.446   11.023  173.106   14.929  165.059   16.346  159.557   6.9045  155.734   7.7453 3.823242 10.37605 
1 1 1   -2   17    6 o  233.257   5.0175  371.011   15.817  394.155   22.090  346.659   22.659  240.781   6.7700  225.733   7.4074 15.04782 10.03510 
1 1 1   -2   17    7 o  203.359   7.3026  281.316   20.124   0.0000   0.0000  281.316   20.124  ?   ?   203.359   7.3026      ?      ? 
1 1 1   -2   17    8 o  113.279   5.7500   86.797   8.7862   81.664   11.760   93.283   13.219  109.527   7.9230  117.031   8.3352 -7.503365 11.50004 
1 1 1   -2   17    9 o   99.571   6.2062   68.646   8.2293   75.683   11.055   59.899   12.324  105.451   7.7361   93.692   9.7069 11.75844 12.41247 
1 1 1   -2   17   10 o  138.922   5.3442  131.985   9.9861  137.641   13.507  125.167   14.830  142.263   7.0062  135.582   8.0718 6.681488 10.68836 
1 1 1   -2   17   11 o  167.671   5.1340  191.267   11.631  191.438   15.859  191.067   17.110  167.778   6.9754  167.564   7.5351 0.2144165 10.26805 
1 1 1   -2   17   12 o  234.086   5.0442  373.152   15.973  381.052   22.094  364.502   23.120  236.715   6.8877  231.457   7.3712 5.258591 10.08835 
1 1 1   -2   17   13 o  243.462   5.7718  397.290   16.321  391.406   18.690  416.192   33.496  240.040   5.7458  246.884   10.012 -6.844116 11.54356 
1 1 1   -2   17   14 o  209.242   6.0851  294.715   16.290  287.545   19.869  309.415   28.450  205.596   7.1316  212.888   9.8617 -7.291626 12.17013 
1 1 1   -2   17   15 o   80.636   9.2510   46.699   9.1298   49.265   11.212   41.650   15.729   84.952   9.7392   76.320   15.731 8.632103 18.50192 
1 1 1   -2   17   16 f  167.051   6.4759  196.328   13.765  209.771   17.129  171.818   23.128  175.591   7.1984  158.511   10.767 17.07941 12.95175 
1 1 1   -2   17   17 o  246.108   5.9864  420.737   17.207  428.868   19.929  396.924   34.107  251.239   5.8536  240.977   10.444 10.26131 11.97283 
1 1 1   -2   17   18 o  189.248   5.9364  248.836   13.124  253.715   15.204  234.568   25.999  193.242   5.8058  185.254   10.356 7.988022 11.87278 
1 1 1   -2   17   19 o  123.939   7.2297  112.931   11.173  133.176   14.201   80.038   18.101  139.873   7.4919  108.006   12.367 31.86713 14.45949 
1 1 1   -2   17   20 o   84.445   7.6773   45.796   7.9631   42.118   9.2896   55.986   15.463   78.592   8.7224   90.299   12.637 -11.70660 15.35460 
1 1 1   -2   17   21 o   31.101   9.4174  -1.7312   6.4673  -4.2376   7.6244   4.6975   12.211   24.069   10.893   38.132   15.365 -14.06336 18.83472 
1 1 1   -2   17   22 f  111.699   6.5857   84.029   8.6482   82.897   9.9665   87.478   17.399  110.399   6.6618  112.999   11.363 -2.599419 13.17147 
1 1 1   -2   17   23 o  105.875   6.6305   69.580   8.3618   62.895   9.5491   91.561   17.315   96.120   7.3311  115.631   11.050 -19.51066 13.26101 
1 1 1   -2   17   24 o  192.316   5.7852  251.348   15.077  251.348   15.077   0.0000   0.0000  192.316   5.7852  ?   ?       ?      ? 
1 1 1   -2   17   25 f  213.795   5.7839  310.646   16.757  310.646   16.757   0.0000   0.0000  213.795   5.7839  ?   ?       ?      ? 
1 1 1   -2   17   26 o  250.200   5.9278  426.414   17.231  425.935   19.803  427.907   34.968  250.329   5.8376  250.072   10.319 0.2565308 11.85553 
1 1 1   -2   17   27 o   62.628   9.9353   26.113   7.4257   23.903   8.6022   32.573   14.709   58.072   11.338   67.184   16.318 -9.112061 19.87058 
1 1 1   -2   17   28 o  225.367   5.9468  358.971   15.703  372.501   18.311  321.364   30.529  234.090   5.7724  216.643   10.399 17.44701 11.89350 
1 1 1   -2   17   29 o  174.856   5.9521  215.602   12.235  223.276   14.282  194.441   23.717  181.221   5.8155  168.492   10.387 12.72934 11.90425 
1 1 1   -2   17   30 o  184.270   5.9056  237.076   12.787  242.800   14.876  220.879   25.025  188.969   5.8092  179.571   10.284 9.397995 11.81117 
1 1 1   -2   17   31 o  177.230   5.7325  212.143   12.131  209.744   14.103  218.969   23.787  175.612   5.9261  178.849   9.8147 -3.237289 11.46502 
1 1 1   -2   17   32 o   99.767   6.9192   68.947   8.2559   69.872   9.6691   66.456   15.860  101.270   7.0457   98.264   11.911 3.005974 13.83842 
1 1 1   -2   17   33 o   81.131   8.2724   47.519   7.7110   49.389   9.0644   42.623   14.668   85.073   7.8626   77.189   14.557 7.884659 16.54479 
1 1 1   -2   17   34 o   97.399   7.1432   68.099   8.3234   72.060   9.8769   58.392   15.461  102.815   7.0889   91.983   12.404 10.83247 14.28634 
1 1 1   -2   17   35 o   76.145   8.1810   39.798   7.5105   38.753   8.9255   42.332   13.900   75.263   8.7512   77.026   13.825 -1.762390 16.36192 
1 1 1   -2   17   36 o   57.679   9.5605   25.271   7.0940   28.440   8.4757   17.857   12.964   64.385   9.7143   50.973   16.469 13.41241 19.12091 
1 1 1   -2   17   37 o  117.018   6.3893   93.293   9.1471   92.568   10.804   95.127   17.188  116.502   6.8433  117.533   10.792 -1.030602 12.77868 
1 1 1   -2   17   38 o   72.332   9.4192   35.231   8.8237   20.123   11.371   58.101   13.990   52.918   15.109   91.745   11.252 -38.82760 18.83834 
1 1 1   -2   17   39 o  153.737   6.2924  161.154   12.768  157.913   16.233  166.413   20.676  151.924   7.8847  155.549   9.8087 -3.625031 12.58486 
1 1 1   -2   17   40 o   84.472   7.6298   47.434   8.5446   40.699   10.801   58.701   13.970   76.819   10.375   92.125   11.190 -15.30602 15.25951 
1 1 1   -2   17   41 o  148.546   7.0448  152.127   14.180  151.931   20.184  152.318   19.925  148.433   10.035  148.659   9.8905 -0.2259369 14.08950 
1 1 1   -2   17   42 o  145.669   7.0752  146.424   13.963  150.924   19.927  142.082   19.572  147.884   9.9435  143.454   10.068 4.430069 14.15043 
1 1 1   -2   17   43 o   86.894   7.7473   51.336   8.8664   48.173   11.145   56.791   14.635   83.516   9.8472   90.273   11.963 -6.757210 15.49462 
1 1 1   -2   17   44 o   56.688   9.9185   22.053   7.2413   18.783   8.8107   28.859   12.711   50.808   12.802   62.567   15.153 -11.75881 19.83705 
1 1 1   -2   17   45 o   43.543   13.021   13.539   8.2777   13.539   8.2777   0.0000   0.0000   43.543   13.021  ?   ?       ?      ? 
1 1 1   -2   17   46 o  120.923   6.7774  100.180   11.106  100.180   11.106   0.0000   0.0000  120.923   6.7774  ?   ?       ?      ? 
1 1 1   -2   17   47 f   84.199   7.2579   44.916   7.7228   37.978   9.1364   62.279   14.454   74.076   9.1016   94.322   11.308 -20.24655 14.51571 
1 1 1   -2   17   48 o   84.307   7.2893   47.542   7.7178   44.399   9.1845   55.093   14.236   80.158   8.4553   88.457   11.876 -8.299179 14.57867 
1 1 1   -2   17   49 o   89.229   7.1610   54.714   7.9815   53.347   9.5400   57.903   14.571   87.897   8.0093   90.562   11.873 -2.665810 14.32192 
1 1 1   -2   17   50 o   54.854   9.7337   20.142   6.9358   15.195   8.3877   30.837   12.334   45.510   12.970   64.199   14.517 -18.68927 19.46748 
1 1 1   -2   17   51 o   78.669   11.684   43.893   12.456   43.893   12.456   0.0000   0.0000   78.669   11.684  ?   ?       ?      ? 
1 1 1   -2   17   52 o   86.740   16.871   57.692   19.117   57.692   19.117   0.0000   0.0000   86.740   16.871  ?   ?       ?      ? 
1 1 1   -2   17   53 o   59.487   10.059   26.611   7.9286   25.458   10.428   28.190   12.206   58.201   13.486   60.773   14.929 -2.571907 20.11827 
1 1 1   -2   17   54 o   48.973   11.051   17.165   8.4377   24.300   12.706   11.536   11.285   56.041   15.961   41.905   15.288 14.13611 22.10175 
1 1 1   -2   17   55 o   78.875   8.2485   42.750   8.0822   49.939   15.184   39.909   9.5471   82.479   13.585   75.270   9.3597 7.208595 16.49702 
1 1 1   -2   17   56 o   29.979   9.3062   0.2912   6.3983  -2.8804   13.299   1.2465   7.2986   32.697   14.626   27.261   11.511 5.436605 18.61231 
1 1 1   -2   17   57 o  134.812   7.0203  133.970   11.311  118.820   21.082  140.094   13.404  127.604   12.192  142.019   6.9647 -14.41451 14.04064 
1 1 1   -2   17   58 o   67.573   9.8401   34.081   7.7609   36.238   15.592   33.371   8.9481   66.702   17.153   68.444   9.6474 -1.742523 19.68014 
1 1 1   -2   17   59 o   70.268   9.4736   35.680   7.9307   41.878   15.348   33.422   9.2631   72.275   16.085   68.261   10.014 4.013329 18.94719 
1 1 1   -2   17   60 o   59.990   10.210   26.044   7.6089   35.370   14.299   22.361   8.9869   66.022   16.122   53.958   12.531 12.06409 20.41917 
1 1 1   -2   17   61 o  111.519   8.3525   92.344   12.438   75.207   17.496  109.854   17.686  100.108   12.897  122.929   10.617 -22.82084 16.70498 
1 1 1   -2   17   62 o   69.768   11.152   39.637   10.293   38.408   14.828   40.780   14.298   68.334   16.250   71.202   15.276 -2.867470 22.30342 
1 1 1   -2   17   63 o  100.593   8.8915   77.208   11.830   60.747   16.939   92.883   16.529   88.675   14.096  112.511   10.841 -23.83587 17.78306 
1 1 1   -2   17   64 o   63.789   9.7437   30.687   9.5506   60.338   14.354   7.1312   12.794   89.897   11.782   37.681   15.522 52.21574 19.48749 
1 1 1   -2   17   65 o   67.631   10.652   37.209   9.8957   25.067   13.764   50.202   14.237   54.227   16.904   81.035   12.965 -26.80885 21.30370 
1 1 1   -2   17   66 o   55.904   11.325   25.968   9.3892   35.926   13.705   17.160   12.889   65.697   15.623   46.111   16.400 19.58605 22.65040 
1 1 1   -2   17   67 o   38.060   10.685   7.9623   8.6819   15.027   12.046   0.3246   12.525   43.675   15.816   32.445   14.372 11.22935 21.37074 
1 1 1   -2   17   68 o   32.991   14.271   2.7079   11.718   2.7079   11.718   0.0000   0.0000   32.991   14.271  ?   ?       ?      ? 
1 1 1   -2   17   69 o   39.647   15.304   11.416   11.654   11.416   11.654   0.0000   0.0000   39.647   15.304  ?   ?       ?      ? 
1 1 1   -2   17   70 o   26.325   8.7206  -6.9956   7.8095  -6.5209   10.856  -7.5048   11.243   26.307   12.292   26.343   12.373 -0.3674698E-01 17.44118 
1 1 1   -2   17   71 o   28.657   9.2642  -5.6540   8.2160 -13.3813   11.004   4.0810   12.351   23.462   11.346   33.853   14.648 -10.39125 18.52833 
1 1 1   -2   17   72 o   47.505   11.690   20.750   9.2801   22.488   12.414   18.549   13.971   49.630   16.124   45.379   16.930 4.251251 23.37944 
1 1 1   -2   17   73 o   52.128   11.856   25.669   9.4567   22.992   12.595   29.127   14.317   49.542   16.248   54.714   17.269 -5.171875 23.71142 
1 1 1   -2   17   74 o   36.530   15.302   9.1015   12.729   0.0000   0.0000   9.1015   12.729  ?   ?    36.530   15.302      ?      ? 
1 1 1   -2   17   75 o   36.085   15.344   8.8929   13.117   0.0000   0.0000   8.8929   13.117  ?   ?    36.085   15.344      ?      ? 
1 1 1   -2   17   76 o   65.589   11.478   42.185   10.682   27.066   14.471   60.287   15.834   50.081   17.413   81.097   14.959 -31.01590 22.95645 
1 1 1   -2   17   77 f   36.270   10.770   10.669   9.1565   14.981   12.563   5.7830   13.374   39.339   15.677   33.201   14.772 6.137962 21.53992 
1 1 1   -2   18    1 o  141.848   5.4852  136.272   10.498  129.184   14.073  145.163   15.762  137.734   7.5397  145.962   7.9689 -8.227386 10.97044 
1 1 1   -2   18    2 o  203.245   5.1002  279.703   13.993  265.379   18.813  297.438   20.934  197.475   7.0302  209.015   7.3909 -11.54028 10.20044 
1 1 1   -2   18    3 o  103.455   6.4777   73.268   9.0400   75.628   12.334   70.528   13.288  105.302   8.6434  101.607   9.6507 3.694458 12.95544 
1 1 1   -2   18    4 o  269.730   9.9830  497.308   36.490  497.308   36.490   0.0000   0.0000  269.730   9.9830  ?   ?       ?      ? 
1 1 1   -2   18    5 o  134.147   6.5535  117.913   11.631  146.793   19.163  101.071   14.634  146.585   9.6470  121.710   8.8728 24.87552 13.10691 
1 1 1   -2   18    6 o  132.066   8.3203  118.907   14.891   0.0000   0.0000  118.907   14.891  ?   ?   132.066   8.3203      ?      ? 
1 1 1   -2   18    7 o  163.528   7.7418  182.163   17.156   0.0000   0.0000  182.163   17.156  ?   ?   163.528   7.7418      ?      ? 
1 1 1   -2   18    8 o  110.064   8.9585   82.674   13.362   0.0000   0.0000   82.674   13.362  ?   ?   110.064   8.9585      ?      ? 
1 1 1   -2   18    9 o  136.505   8.1197  127.009   15.020   0.0000   0.0000  127.009   15.020  ?   ?   136.505   8.1197      ?      ? 
1 1 1   -2   18   10 o  211.682   6.0683  304.711   16.853  309.411   27.616  301.922   21.274  212.806   9.5764  210.559   7.4559 2.247086 12.13659 
1 1 1   -2   18   11 o  220.624   5.1674  331.898   15.418  355.470   21.780  308.218   21.830  228.528   7.0328  212.721   7.5728 15.80711 10.33475 
1 1 1   -2   18   12 o   45.569   9.9908   12.773   7.1882   5.7508   9.5503   21.950   10.918   35.771   13.841   55.368   14.411 -19.59707 19.98156 
1 1 1   -2   18   13 o  170.892   6.0650  199.805   11.749  200.277   13.369  198.205   24.627  171.659   5.7470  170.125   10.682 1.534409 12.12997 
1 1 1   -2   18   14 o  186.162   5.7951  217.861   12.350  203.473   13.902  271.725   26.898  173.003   5.9299  199.320   9.9583 -26.31790 11.59015 
1 1 1   -2   18   15 o  111.814   6.9470   82.803   8.8454   80.619   10.016   90.545   18.855  108.838   6.7910  114.790   12.121 -5.952332 13.89394 
1 1 1   -2   18   16 o  111.962   7.1044   87.352   9.0234   88.725   10.308   82.852   18.664  114.184   6.6618  109.739   12.550 4.445572 14.20885 
1 1 1   -2   18   17 o  317.597   6.4444  722.948   23.974  761.090   28.079  620.340   46.054  334.516   6.1941  300.678   11.303 33.83710 12.88872 
1 1 1   -2   18   18 o   65.905   9.3884   29.692   8.3849   29.692   8.3849   0.0000   0.0000   65.905   9.3884  ?   ?       ?      ? 
1 1 1   -2   18   19 o   76.426   8.3763   39.862   8.6751   39.862   8.6751   0.0000   0.0000   76.426   8.3763  ?   ?       ?      ? 
1 1 1   -2   18   20 o  107.612   6.8416   78.852   9.9770   78.852   9.9770   0.0000   0.0000  107.612   6.8416  ?   ?       ?      ? 
1 1 1   -2   18   21 o  149.368   6.2077  150.957   10.722  149.621   12.273  155.263   22.036  148.303   6.1068  150.434   10.810 -2.130081 12.41543 
1 1 1   -2   18   22 o  175.820   6.0488  218.696   12.331  226.390   14.298  196.360   24.362  182.454   5.7827  169.185   10.626 13.26836 12.09756 
1 1 1   -2   18   23 o   86.623   8.7336   56.972   8.1198   61.087   9.3610   44.469   16.318   94.666   7.2971   78.580   15.870 16.08580 17.46729 
1 1 1   -2   18   24 o  125.599   6.0482   98.399   9.0873   89.079   10.405  128.369   18.659  114.360   6.7139  136.838   10.062 -22.47775 12.09641 
1 1 1   -2   18   25 f   33.964   9.0579   4.7532   6.4504   10.954   7.5190 -12.5314   12.553   39.971   12.500   27.956   13.113 12.01487 18.11586 
1 1 1   -2   18   26 o   43.273   10.289   9.4964   6.5971   5.8145   7.6813   19.847   12.879   33.421   12.536   53.126   16.317 -19.70534 20.57718 
1 1 1   -2   18   27 o   59.125   10.333   22.608   7.8337   17.418   9.3997   34.411   14.175   49.348   13.613   68.902   15.550 -19.55444 20.66689 
1 1 1   -2   18   28 o   84.260   8.2888   49.227   8.7940   49.647   10.662   48.332   15.554   85.114   9.2436   83.406   13.761 1.707375 16.57769 
1 1 1   -2   18   29 o  219.560   6.1048  318.970   16.946  300.783   20.303  360.736   30.767  209.948   7.1360  229.172   9.9071 -19.22435 12.20956 
1 1 1   -2   18   30 o  171.263   6.1403  191.566   13.340  176.007   15.964  227.569   24.284  160.542   7.3379  181.983   9.8472 -21.44070 12.28056 
1 1 1   -2   18   31 o  108.856   7.0685   76.565   9.8359   67.722   11.806   96.633   17.785   99.394   8.7650  118.318   11.092 -18.92422 14.13709 
1 1 1   -2   18   32 o  145.034   6.3727  141.074   11.776  135.043   14.252  154.049   20.905  140.549   7.4828  149.519   10.318 -8.969742 12.74541 
1 1 1   -2   18   33 o   95.589   9.5171   65.838   11.649   48.908   16.607   82.237   16.345   82.120   15.492  109.058   11.060 -26.93823 19.03423 
1 1 1   -2   18   34 o   57.345   11.684   23.140   9.8781   32.658   14.549   14.999   13.455   66.628   16.257   48.063   16.786 18.56514 23.36804 
1 1 1   -2   18   35 o   53.186   10.132   20.146   7.0969   19.589   8.5685   21.363   12.665   52.035   12.339   54.336   16.073 -2.300968 20.26320 
1 1 1   -2   18   36 o  108.154   8.1806   81.222   11.943   71.913   16.571   91.285   17.228  101.600   12.035  114.708   11.083 -13.10834 16.36126 
1 1 1   -2   18   37 o  210.415   6.3317  312.526   17.211  333.647   21.773  277.343   28.101  220.708   7.2797  200.123   10.362 20.58432 12.66346 
1 1 1   -2   18   38 o   30.516   8.9887  -0.1633   6.8324   6.8723   8.3027 -14.9230   12.026   35.121   13.061   25.911   12.353 9.210520 17.97748 
1 1 1   -2   18   39 o   80.174   7.7290   44.155   7.6582   43.314   9.0919   46.208   14.208   79.306   8.4600   81.042   12.938 -1.736206 15.45806 
1 1 1   -2   18   40 o   40.805   9.4719   11.473   6.7323   17.171   8.1340  -0.9214   11.996   48.535   12.340   33.075   14.373 15.46054 18.94373 
1 1 1   -2   18   41 o   70.920   9.0196   34.793   8.6684   34.793   8.6684   0.0000   0.0000   70.920   9.0196  ?   ?       ?      ? 
1 1 1   -2   18   42 o   44.137   9.1309   5.9346   6.5184  -3.4922   7.6772   30.285   12.339   24.408   10.999   63.867   14.578 -39.45826 18.26189 
1 1 1   -2   18   43 o   38.905   9.4662   10.039   6.4564   14.441   7.8886   1.1078   11.237   44.507   12.542   33.303   14.182 11.20403 18.93245 
1 1 1   -2   18   44 o   84.916   8.0311   53.739   7.9960   57.334   9.6032   45.612   14.438   91.139   7.7754   78.693   14.055 12.44665 16.06212 
1 1 1   -2   18   45 o   41.217   9.9684   10.425   6.4424   7.6049   7.8860   16.084   11.171   35.240   12.792   47.194   15.292 -11.95423 19.93689 
1 1 1   -2   18   46 o   60.609   9.7023   28.577   7.9933   35.841   10.454   18.355   12.402   71.282   10.823   49.936   16.106 21.34684 19.40451 
1 1 1   -2   18   47 o   74.439   8.7594   40.634   8.4297   42.653   11.043   37.814   13.049   77.765   10.479   71.113   14.039 6.652374 17.51877 
1 1 1   -2   18   48 o   56.512   9.7703   22.559   7.5860   13.886   9.7810   35.653   12.018   43.834   14.316   69.189   13.300 -25.35548 19.54062 
1 1 1   -2   18   49 o   80.507   7.4447   43.401   7.5377   39.438   8.9468   53.093   13.992   75.076   8.7940   85.938   12.015 -10.86201 14.88949 
1 1 1   -2   18   50 o   45.973   10.015   15.759   6.5930   16.095   7.9578   15.024   11.774   46.334   12.421   45.612   15.715 0.7217674 20.03085 
1 1 1   -2   18   51 o   80.068   8.6506   47.788   8.9007   51.341   11.676   42.858   13.753   84.981   10.138   75.155   14.019 9.826683 17.30125 
1 1 1   -2   18   52 f   65.847   9.7806   32.397   8.4114   26.120   11.069   40.975   12.939   58.131   14.179   73.563   13.476 -15.43237 19.56129 
1 1 1   -2   18   53 o   34.640   10.036   4.7011   7.5680   6.9189   10.504   2.3073   10.913   36.335   14.380   32.946   14.002 3.388546 20.07108 
1 1 1   -2   18   54 o   75.786   8.9374   42.599   8.8810   40.827   11.656   45.051   13.713   74.854   11.491   76.719   13.692 -1.864944 17.87487 
1 1 1   -2   18   55 o   34.881   9.7177   4.6700   7.4155   12.428   10.056  -4.5768   10.979   41.384   14.509   28.377   12.932 13.00738 19.43548 
1 1 1   -2   18   56 o   48.237   10.388   18.625   7.8583   24.641   10.370   10.511   12.044   56.054   13.755   40.420   15.571 15.63387 20.77572 
1 1 1   -2   18   57 o   73.469   11.342   39.668   11.292   39.668   11.292   0.0000   0.0000   73.469   11.342  ?   ?       ?      ? 
1 1 1   -2   18   58 o   53.432   14.177   22.779   10.435   22.779   10.435   0.0000   0.0000   53.432   14.177  ?   ?       ?      ? 
1 1 1   -2   18   59 o   36.518   13.964   8.5049   9.6395   8.5049   9.6395   0.0000   0.0000   36.518   13.964  ?   ?       ?      ? 
1 1 1   -2   18   60 o   45.644   16.556   16.267   13.206   16.267   13.206   0.0000   0.0000   45.644   16.556  ?   ?       ?      ? 
1 1 1   -2   18   61 o   46.333   11.029   16.616   8.9811   6.1177   13.176   25.726   12.274   37.102   15.556   55.563   15.640 -18.46034 22.05883 
1 1 1   -2   18   62 o   72.660   10.414   43.313   9.9948   34.651   14.693   50.775   13.636   63.532   16.806   81.788   12.303 -18.25589 20.82830 
1 1 1   -2   18   63 o   58.305   11.330   28.821   9.6069   38.881   13.820   19.414   13.364   68.489   15.278   48.121   16.734 20.36797 22.65935 
1 1 1   -2   18   64 o   32.393   14.223   1.3271   12.012   1.3271   12.012   0.0000   0.0000   32.393   14.223  ?   ?       ?      ? 
1 1 1   -2   18   65 o   48.946   16.483   20.755   12.942   20.755   12.942   0.0000   0.0000   48.946   16.483  ?   ?       ?      ? 
1 1 1   -2   18   66 o   32.279   9.8893   1.2501   8.3715   8.1815   11.488  -6.5978   12.224   36.545   14.841   28.013   13.074 8.531240 19.77853 
1 1 1   -2   18   67 o   32.332   9.9239   2.1661   8.2871   7.2111   11.444  -3.3965   12.017   35.485   14.656   29.179   13.385 6.305876 19.84781 
1 1 1   -2   18   68 o   46.847   11.152   19.082   8.9134   27.351   12.556   10.681   12.656   55.047   15.925   38.646   15.618 16.40089 22.30495 
1 1 1   -2   18   69 o   41.277   11.376   14.214   9.2130   15.916   12.735   12.345   13.344   42.720   16.118   39.834   16.058 2.885662 22.75203 
1 1 1   -2   18   70 o   38.525   9.8634   5.9596   8.6794   25.900   12.151 -14.8125   12.402   52.700   15.779   24.350   11.839 28.35018 19.72681 
1 1 1   -2   18   71 o   25.002   8.3722 -14.2537   8.0967 -31.0231   11.411   2.7509   11.490   18.810   9.4911   31.194   13.795 -12.38487 16.74430 
1 1 1   -2   18   72 o   30.493   13.812   1.0178   12.286   0.0000   0.0000   1.0178   12.286  ?   ?    30.493   13.812      ?      ? 
1 1 1   -2   18   73 o   42.607   11.316   16.425   9.4462   6.3987   12.686   28.904   14.152   33.509   14.667   51.706   17.236 -18.19777 22.63178 
1 1 1   -2   19    1 o  125.943   6.9833  102.011   10.881   93.323   12.749  125.313   20.879  116.917   8.0467  134.969   11.416 -18.05157 13.96667 
1 1 1   -2   19    2 o  105.890   6.6524   80.024   9.1344   94.344   12.084   60.935   13.952  117.604   7.5825   94.175   10.933 23.42860 13.30476 
1 1 1   -2   19    3 o   78.719   7.7412   43.237   8.0968   46.881   10.754   38.467   12.303   82.735   9.5915   74.703   12.153 8.031929 15.48232 
1 1 1   -2   19    4 o   36.298   9.6059   6.0762   6.8560   11.601   8.8495  -2.2183   10.843   41.650   13.618   30.946   13.552 10.70415 19.21186 
1 1 1   -2   19    5 o   90.069   6.8236   55.172   8.2724   52.339   10.970   58.907   12.595   87.447   9.2574   92.691   10.027 -5.243484 13.64728 
1 1 1   -2   19    6 o   63.423   9.2352   28.681   7.6340   27.864   10.218   29.713   11.485   62.488   12.503   64.357   13.595 -1.868870 18.47031 
1 1 1   -2   19    7 o   88.889   6.8991   53.563   8.2223   50.384   10.746   58.051   12.770   85.794   9.2432   91.984   10.245 -6.190506 13.79813 
1 1 1   -2   19    8 o   46.201   9.7140   12.036   7.1318   3.0557   9.1666   25.809   11.352   32.574   13.246   59.828   14.213 -27.25385 19.42795 
1 1 1   -2   19    9 f  120.217   6.1919  102.178   9.7157  127.158   13.346   74.017   14.171  136.558   7.2120  103.876   10.067 32.68259 12.38377 
1 1 1   -2   19   10 o   89.228   7.1718   55.380   8.5128   59.502   11.294   49.957   12.954   93.251   8.9375   85.206   11.219 8.045158 14.34360 
1 1 1   -2   19   11 o   99.945   8.2282   65.028   9.8781   60.976   11.403   77.217   19.776   94.395   8.9139  105.495   13.833 -11.10028 16.45642 
1 1 1   -2   19   12 o   48.255   13.867   16.548   9.5490   16.548   9.5490   0.0000   0.0000   48.255   13.867  ?   ?       ?      ? 
1 1 1   -2   19   13 o   92.138   7.2832   57.917   9.0938   57.917   9.0938   0.0000   0.0000   92.138   7.2832  ?   ?       ?      ? 
1 1 1   -2   19   14 o  140.650   6.3986  135.208   10.125  134.987   11.476  135.981   21.505  140.811   6.0140  140.489   11.296 0.3218994 12.79711 
1 1 1   -2   19   15 o   57.766   10.187   23.406   6.9198   23.131   7.8129   24.407   14.904   57.147   10.475   58.386   17.474 -1.238815 20.37333 
1 1 1   -2   19   16 f   75.127   9.0562   39.585   7.4308   39.422   8.4184   40.159   15.811   75.929   8.1816   74.324   16.159 1.605087 18.11241 
1 1 1   -2   19   17 o   53.454   9.5873   23.190   6.9655   27.876   8.0117   8.6803   14.098   63.757   9.2729   43.151   16.783 20.60638 19.17456 
1 1 1   -2   19   18 o   91.127   7.2963   50.749   7.8949   44.812   8.9768   71.020   16.587   80.934   8.1848  101.319   12.081 -20.38474 14.59252 
1 1 1   -2   19   19 o   50.669   10.672   14.578   6.9772   10.791   7.9342   27.497   14.655   39.907   12.883   61.432   17.018 -21.52435 21.34463 
1 1 1   -2   19   20 o  207.952   5.9456  298.544   14.332  300.839   16.494  291.473   28.954  210.177   5.7911  205.726   10.386 4.451401 11.89123 
1 1 1   -2   19   21 o   54.739   10.539   19.018   7.1552   16.122   8.2041   28.223   14.625   47.358   12.573   62.120   16.917 -14.76218 21.07754 
1 1 1   -2   19   22 o   58.655   9.9374   26.210   7.1868   28.416   8.2664   19.381   14.545   64.294   9.4878   53.015   17.464 11.27868 19.87486 
1 1 1   -2   19   23 o  107.224   6.9728   78.179   8.7092   77.244   10.000   81.116   17.721  106.345   6.9393  108.103   12.097 -1.758011 13.94557 
1 1 1   -2   19   24 o  101.054   7.8509   76.898   8.7950   82.644   10.142   59.469   17.663  110.002   6.8033   92.107   14.151 17.89551 15.70176 
1 1 1   -2   19   25 o   45.520   10.641   12.389   6.8303   10.300   7.8714   18.756   13.742   39.114   12.846   51.926   16.969 -12.81231 21.28289 
1 1 1   -2   19   26 o   86.775   8.6731   57.522   8.1660   61.825   9.4690   45.034   16.131   95.047   7.3516   78.503   15.711 16.54452 17.34622 
1 1 1   -2   19   27 o   76.191   9.2555   45.816   7.9179   51.040   9.3299   32.368   14.970   86.264   7.9811   66.118   16.702 20.14625 18.51098 
1 1 1   -2   19   28 o  132.931   6.9801  121.275   12.126  119.094   15.197  125.097   20.118  131.622   8.5199  134.240   11.059 -2.617981 13.96017 
1 1 1   -2   19   29 o  158.211   6.6249  170.796   13.613  166.141   16.886  179.438   23.008  155.550   8.0109  160.873   10.554 -5.323395 13.24989 
1 1 1   -2   19   30 o   35.204   9.4761   4.6369   7.2533   12.276   8.5993 -14.1984   13.503   42.012   13.397   28.396   13.406 13.61633 18.95229 
1 1 1   -2   19   31 o  119.025   7.9009   98.449   12.721   94.271   17.373  103.279   18.679  116.355   11.018  121.695   11.327 -5.339233 15.80171 
1 1 1   -2   19   32 o   43.522   10.575   12.170   7.0060   11.603   8.2714   13.609   13.180   40.892   13.149   46.153   16.566 -5.261009 21.15064 
1 1 1   -2   19   33 o  101.666   6.9474   68.298   8.4138   64.774   9.6901   79.094   16.961   97.118   7.3629  106.214   11.784 -9.096550 13.89483 
1 1 1   -2   19   34 f   41.840   10.014   12.199   6.6046   14.367   7.6996   6.1630   12.849   44.474   12.341   39.205   15.774 5.268665 20.02797 
1 1 1   -2   19   35 o   34.696   9.6368   5.7294   6.3203   6.9351   7.5186   2.8251   11.669   34.198   12.478   35.195   14.689 -0.9974632 19.27358 
1 1 1   -2   19   36 o   32.973   12.459   5.8581   7.6170   5.8581   7.6170   0.0000   0.0000   32.973   12.459  ?   ?       ?      ? 
1 1 1   -2   19   37 o   49.647   13.830   18.226   9.6501   18.226   9.6501   0.0000   0.0000   49.647   13.830  ?   ?       ?      ? 
1 1 1   -2   19   38 o   56.429   10.310   21.696   7.8459   15.098   9.7338   33.933   13.257   45.623   14.215   67.236   14.938 -21.61300 20.62002 
1 1 1   -2   19   39 o   95.439   7.6588   59.566   9.4680   49.350   11.502   81.031   16.674   83.897   10.117  106.981   11.501 -23.08436 15.31767 
1 1 1   -2   19   40 o   56.969   10.528   24.109   7.9770   22.864   9.9589   26.339   13.324   55.298   13.425   58.640   16.221 -3.342541 21.05562 
1 1 1   -2   19   41 o   35.527   9.9309   5.9487   7.1114   8.3556   9.0393   2.0395   11.520   37.011   13.655   34.042   14.423 2.969833 19.86171 
1 1 1   -2   19   42 o   59.298   9.3007   28.535   6.9915   32.898   8.3974   18.677   12.622   68.571   9.0369   50.025   16.259 18.54591 18.60139 
1 1 1   -2   19   43 o  108.108   6.5374   80.119   8.6208   77.679   10.121   86.566   16.453  105.968   7.0483  110.248   11.012 -4.279564 13.07488 
1 1 1   -2   19   44 o   34.362   8.7722   6.4405   6.0921   12.776   7.4130  -6.7412   10.693   41.583   12.296   27.141   12.515 14.44168 17.54441 
1 1 1   -2   19   45 o   58.298   8.7995   21.473   6.6444   13.844   7.9489   39.165   12.105   43.081   12.731   73.515   12.151 -30.43406 17.59907 
1 1 1   -2   19   46 o   37.181   9.6918   8.9434   6.3735   10.772   7.7191   5.0253   11.298   38.706   12.721   35.655   14.625 3.050472 19.38359 
1 1 1   -2   19   47 o   45.352   9.5591   13.502   7.6942   27.746   10.766  -1.3682   11.000   60.157   13.534   30.546   13.503 29.61052 19.11816 
1 1 1   -2   19   48 o   45.663   10.531   15.873   7.5843   18.560   10.331   12.732   11.169   48.889   14.530   42.436   15.249 6.453651 21.06273 
1 1 1   -2   19   49 o   49.686   10.486   19.650   7.8433   24.201   10.435   13.739   11.891   55.722   13.873   43.651   15.729 12.07097 20.97255 
1 1 1   -2   19   50 f   43.859   10.492   14.471   7.6014   18.070   10.277   10.125   11.295   48.037   14.541   39.682   15.129 8.354675 20.98391 
1 1 1   -2   19   51 o   64.737   9.5040   30.966   8.2108   21.328   10.712   44.697   12.785   51.799   14.621   77.675   12.146 -25.87691 19.00793 
1 1 1   -2   19   52 o   45.662   10.616   16.211   7.5580   15.775   10.055   16.779   11.459   45.022   14.501   46.301   15.510 -1.279385 21.23263 
1 1 1   -2   19   53 o   60.133   13.333   28.291   10.580   28.291   10.580   0.0000   0.0000   60.133   13.333  ?   ?       ?      ? 
1 1 1   -2   19   54 o   26.814   12.078  -2.6460   9.2452  -2.6460   9.2452   0.0000   0.0000   26.814   12.078  ?   ?       ?      ? 
1 1 1   -2   19   55 o   39.773   14.055   11.683   9.4510   11.683   9.4510   0.0000   0.0000   39.773   14.055  ?   ?       ?      ? 
1 1 1   -2   19   56 o   45.376   14.338   16.431   9.8675   16.431   9.8675   0.0000   0.0000   45.376   14.338  ?   ?       ?      ? 
1 1 1   -2   19   57 o   35.996   13.836   8.3401   9.4953   8.3401   9.4953   0.0000   0.0000   35.996   13.836  ?   ?       ?      ? 
1 1 1   -2   19   58 o   40.650   14.361   12.604   9.8665   12.604   9.8665   0.0000   0.0000   40.650   14.361  ?   ?       ?      ? 
1 1 1   -2   19   59 o   48.014   14.139   18.859   9.8192   18.859   9.8192   0.0000   0.0000   48.014   14.139  ?   ?       ?      ? 
1 1 1   -2   19   60 o   58.147   16.966   29.900   14.197   29.900   14.197   0.0000   0.0000   58.147   16.966  ?   ?       ?      ? 
1 1 1   -2   19   61 o   26.899   12.594  -7.2337   11.489  -7.2337   11.489   0.0000   0.0000   26.899   12.594  ?   ?       ?      ? 
1 1 1   -2   19   62 o   38.479   15.354   10.171   12.065   10.171   12.065   0.0000   0.0000   38.479   15.354  ?   ?       ?      ? 
1 1 1   -2   19   63 o   51.312   13.712   22.097   9.7167   22.097   9.7167   0.0000   0.0000   51.312   13.712  ?   ?       ?      ? 
1 1 1   -2   19   64 o   30.292   12.615   4.2007   8.5808   4.2007   8.5808   0.0000   0.0000   30.292   12.615  ?   ?       ?      ? 
1 1 1   -2   19   65 o   42.506   13.740   15.402   9.0221   15.402   9.0221   0.0000   0.0000   42.506   13.740  ?   ?       ?      ? 
1 1 1   -2   19   66 o   44.358   13.616   17.080   8.9693   17.080   8.9693   0.0000   0.0000   44.358   13.616  ?   ?       ?      ? 
1 1 1   -2   19   67 o   26.441   12.359  -4.9017   10.987  -4.9017   10.987   0.0000   0.0000   26.441   12.359  ?   ?       ?      ? 
1 1 1   -2   19   68 o   45.119   16.580   20.443   13.306   0.0000   0.0000   20.443   13.306  ?   ?    45.119   16.580      ?      ? 
1 1 1   -2   19   69 o   60.318   17.255   38.046   14.816   0.0000   0.0000   38.046   14.816  ?   ?    60.318   17.255      ?      ? 
1 1 1   -2   20    1 f   50.550   10.065   16.684   7.3987   9.5626   9.4975   27.678   11.800   39.482   14.074   61.618   14.392 -22.13602 20.13028 
1 1 1   -2   20    2 o   87.319   9.0293   49.071   9.4738   44.796   10.895   62.326   19.183   80.601   9.9749   94.036   15.054 -13.43541 18.05865 
1 1 1   -2   20    3 o   79.678   10.667   59.374   9.7866   74.434   11.494   19.685   18.660  104.199   8.1402   55.156   19.721 49.04321 21.33487 
1 1 1   -2   20    4 o  130.846   7.2496  112.319   11.453  105.795   13.272  131.344   22.664  124.268   7.8814  137.423   12.170 -13.15470 14.49914 
1 1 1   -2   20    5 o  114.778   7.8905   91.495   10.827   91.780   12.653   90.718   20.923  115.711   8.0696  113.846   13.562 1.865036 15.78094 
1 1 1   -2   20    6 o   86.905   7.4724   54.107   8.4365   61.503   11.016   43.613   13.121   94.645   8.5888   79.166   12.230 15.47835 14.94473 
1 1 1   -2   20    7 o   89.837   7.0763   54.640   8.5120   49.252   11.046   62.516   13.356   84.545   9.6413   95.129   10.360 -10.58395 14.15254 
1 1 1   -2   20    8 o   32.503   9.0731   1.3624   6.8606   10.164   8.8118 -12.1845   10.932   39.598   13.598   25.408   12.016 14.19042 18.14620 
1 1 1   -2   20    9 f   57.219   9.8046   24.789   7.5891   29.761   9.8670   17.587   11.875   64.527   11.715   49.911   15.725 14.61624 19.60913 
1 1 1   -2   20   10 o   54.914   9.9565   21.360   7.3812   17.932   9.5883   26.348   11.564   49.780   13.756   60.048   14.398 -10.26799 19.91309 
1 1 1   -2   20   11 o   48.162   10.102   15.082   7.2987   8.5055   9.4729   24.690   11.450   38.231   13.998   58.093   14.570 -19.86237 20.20449 
1 1 1   -2   20   12 o   41.815   10.715   9.5472   6.8314   8.3671   7.7730   13.552   14.320   36.462   12.757   47.167   17.219 -10.70465 21.43027 
1 1 1   -2   20   13 o   43.227   10.811   9.8076   6.8469   7.6264   7.7557   17.513   14.577   35.503   12.712   50.950   17.490 -15.44667 21.62177 
1 1 1   -2   20   14 o  101.093   8.0216   77.855   8.8596   83.833   10.174   59.099   18.022  110.721   6.7807   91.465   14.540 19.25581 16.04324 
1 1 1   -2   20   15 o   61.979   10.105   28.811   7.4279   30.155   8.4796   24.378   15.400   66.106   9.4657   57.852   17.855 8.253792 20.20911 
1 1 1   -2   20   16 o   63.710   9.7894   33.909   7.5075   39.243   8.7089   18.478   14.813   75.531   8.5085   51.890   17.633 23.64186 19.57882 
1 1 1   -2   20   17 o  111.354   6.8426   79.811   8.9783   74.310   10.245   98.019   18.640  104.136   7.2599  118.573   11.601 -14.43653 13.68510 
1 1 1   -2   20   18 o   76.503   8.3939   35.311   7.6704   29.948   8.7199   53.652   16.126   65.792   9.7804   87.214   13.645 -21.42155 16.78788 
1 1 1   -2   20   19 o   42.587   10.085   12.784   6.9449   16.139   8.0784   3.2816   13.596   47.140   12.458   38.034   15.863 9.105709 20.17002 
1 1 1   -2   20   20 o  125.793   6.5688  110.086   9.7006  110.841   11.237  107.877   19.218  127.275   6.5152  124.312   11.408 2.962311 13.13762 
1 1 1   -2   20   21 o   99.191   7.2033   65.085   8.4964   61.787   9.7782   75.247   17.166   94.838   7.6084  103.543   12.234 -8.705139 14.40656 
1 1 1   -2   20   22 o   87.894   8.3210   51.888   9.5524   46.278   11.781   62.655   16.321   81.507   10.666   94.281   12.775 -12.77322 16.64193 
1 1 1   -2   20   23 o   90.145   8.1312   55.922   9.5123   53.563   11.756   60.393   16.187   87.826   9.8779   92.464   12.919 -4.638290 16.26230 
1 1 1   -2   20   24 o   38.725   9.8967   2.2595   6.5602  -3.8366   7.5529   20.986   13.238   23.946   10.840   53.503   16.562 -29.55650 19.79342 
1 1 1   -2   20   25 o   60.153   11.580   27.234   9.7125   29.188   13.549   25.169   13.930   62.342   15.968   57.964   16.775 4.378094 23.15955 
1 1 1   -2   20   26 o  188.289   7.1334  246.748   18.159  241.732   24.746  252.601   26.729  186.368   9.7982  190.210   10.370 -3.841736 14.26675 
1 1 1   -2   20   27 o   90.623   7.7314   57.223   8.1992   56.854   9.4592   58.339   16.442   90.817   7.6861   90.429   13.417 0.3876953 15.46289 
1 1 1   -2   20   28 o   57.839   9.6616   19.284   6.8613   12.632   7.8690   40.384   14.014   41.906   12.732   73.773   14.535 -31.86705 19.32316 
1 1 1   -2   20   29 o   53.760   8.8919   26.006   7.0299   34.846   8.2183   1.8987   13.572   70.894   8.5544   36.625   15.591 34.26943 17.78389 
1 1 1   -2   20   30 o   72.791   9.4123   39.463   7.6562   40.265   8.7834   36.927   15.622   76.182   8.5080   69.400   16.792 6.781845 18.82468 
1 1 1   -2   20   31 o   97.973   7.2250   66.208   9.5924   66.208   9.5924   0.0000   0.0000   97.973   7.2250  ?   ?       ?      ? 
1 1 1   -2   20   32 o   35.277   12.506   7.9903   7.4885   7.9903   7.4885   0.0000   0.0000   35.277   12.506  ?   ?       ?      ? 
1 1 1   -2   20   33 o   36.307   9.7935   7.5992   6.3994   9.5482   7.3792   1.6870   12.852   37.213   12.447   35.401   15.124 1.812027 19.58692 
1 1 1   -2   20   34 o  103.305   7.0862   76.317   8.5133   77.538   9.8533   72.723   16.909  106.001   6.8595  100.610   12.402 5.391136 14.17247 
1 1 1   -2   20   35 o   80.010   7.6114   41.053   7.4323   36.000   8.5888   56.118   14.830   71.752   8.8331   88.268   12.398 -16.51563 15.22285 
1 1 1   -2   20   36 o  103.715   7.0309   74.877   8.4719   73.841   9.7260   78.137   17.248  103.329   6.9459  104.102   12.227 -0.7720261 14.06187 
1 1 1   -2   20   37 o   54.491   9.4534   25.296   6.9910   30.320   8.1776   11.655   13.475   65.660   9.1906   43.321   16.523 22.33879 18.90680 
1 1 1   -2   20   38 o  160.645   6.1380  183.318   11.508  185.718   13.328  176.286   22.814  164.178   5.9905  157.112   10.715 7.065826 12.27609 
1 1 1   -2   20   39 o   57.090   9.7756   23.167   6.8739   20.674   8.0587   29.828   13.170   52.608   11.615   61.573   15.727 -8.965179 19.55111 
1 1 1   -2   20   40 o   42.190   9.5873   8.8987   6.1943   2.9346   7.3050   24.161   11.686   28.857   11.790   55.524   15.122 -26.66660 19.17465 
1 1 1   -2   20   41 o   88.397   7.4210   57.327   7.8149   58.924   9.2004   53.190   14.808   91.910   7.3869   84.884   12.873 7.025848 14.84195 
1 1 1   -2   20   42 o   42.830   10.284   11.182   7.5339   3.6540   9.7472   22.353   11.874   32.568   13.494   53.092   15.523 -20.52344 20.56861 
1 1 1   -2   20   43 o   28.365   8.9799  -2.4604   7.0625  -3.0038   9.4866  -1.7847   10.578   27.194   12.243   29.536   13.140 -2.341970 17.95978 
1 1 1   -2   20   44 o   42.676   10.748   12.813   7.7662   10.212   10.148   16.489   12.066   39.000   14.452   46.351   15.912 -7.350849 21.49580 
1 1 1   -2   20   45 o   63.535   10.077   31.079   8.3563   27.457   10.810   36.459   13.173   59.226   13.735   67.844   14.748 -8.617916 20.15370 
1 1 1   -2   20   46 o   75.643   8.7715   41.527   8.6497   35.451   10.974   51.493   14.054   68.251   12.319   83.034   12.490 -14.78329 17.54309 
1 1 1   -2   20   47 o   36.177   10.046   7.0232   7.2473   3.7625   9.7217   11.102   10.873   32.294   13.436   40.061   14.937 -7.767059 20.09124 
1 1 1   -2   20   48 o   63.330   9.9311   31.665   8.2051   30.979   10.712   32.639   12.763   63.150   12.953   63.511   15.058 -0.3609200 19.86216 
1 1 1   -2   20   49 f   61.782   13.251   29.944   10.762   29.944   10.762   0.0000   0.0000   61.782   13.251  ?   ?       ?      ? 
1 1 1   -2   20   50 o   31.039   13.091   2.8957   9.4223   2.8957   9.4223   0.0000   0.0000   31.039   13.091  ?   ?       ?      ? 
1 1 1   -2   20   51 o   37.481   13.768   9.8762   9.1743   9.8762   9.1743   0.0000   0.0000   37.481   13.768  ?   ?       ?      ? 
1 1 1   -2   20   52 o   20.960   10.107 -11.3676   8.5778 -11.3676   8.5778   0.0000   0.0000   20.960   10.107  ?   ?       ?      ? 
1 1 1   -2   20   53 o   37.526   13.786   10.064   9.1983   10.064   9.1983   0.0000   0.0000   37.526   13.786  ?   ?       ?      ? 
1 1 1   -2   20   54 o   21.109   10.158 -10.7774   8.5556 -10.7774   8.5556   0.0000   0.0000   21.109   10.158  ?   ?       ?      ? 
1 1 1   -2   20   55 o   23.570   11.432 -15.2640   11.380 -15.2640   11.380   0.0000   0.0000   23.570   11.432  ?   ?       ?      ? 
1 1 1   -2   20   56 o   36.552   15.083   7.4443   12.106   7.4443   12.106   0.0000   0.0000   36.552   15.083  ?   ?       ?      ? 
1 1 1   -2   20   57 f   50.912   16.697   23.152   13.300   23.152   13.300   0.0000   0.0000   50.912   16.697  ?   ?       ?      ? 
1 1 1   -2   20   58 o   26.974   12.000  -0.5544   8.8240  -0.5544   8.8240   0.0000   0.0000   26.974   12.000  ?   ?       ?      ? 
1 1 1   -2   20   59 o   40.759   14.030   13.714   9.3833   13.714   9.3833   0.0000   0.0000   40.759   14.030  ?   ?       ?      ? 
1 1 1   -2   20   60 o   55.973   12.962   26.048   9.6384   26.048   9.6384   0.0000   0.0000   55.973   12.962  ?   ?       ?      ? 
1 1 1   -2   20   61 o   32.277   12.995   6.5228   8.7264   6.5228   8.7264   0.0000   0.0000   32.277   12.995  ?   ?       ?      ? 
1 1 1   -2   20   62 o   31.145   12.830   5.5431   8.7402   5.5431   8.7402   0.0000   0.0000   31.145   12.830  ?   ?       ?      ? 
1 1 1   -2   20   63 o   40.872   13.956   14.808   9.2790   14.808   9.2790   0.0000   0.0000   40.872   13.956  ?   ?       ?      ? 
1 1 1   -2   20   64 f   46.080   16.517   21.610   13.097   21.610   13.097   0.0000   0.0000   46.080   16.517  ?   ?       ?      ? 
1 1 1   -2   20   65 o   34.413   14.816   8.0096   12.509   8.0096   12.509   0.0000   0.0000   34.413   14.816  ?   ?       ?      ? 
1 1 1   -2   21    1 o   85.779   6.8746   50.306   7.9106   45.373   10.330   57.303   12.301   80.844   9.4289   90.715   10.007 -9.871742 13.74917 
1 1 1   -2   21    2 o   41.722   10.149   11.084   6.9292   8.1439   9.0699   15.207   10.739   37.145   13.682   46.299   14.993 -9.153683 20.29782 
1 1 1   -2   21    3 o   84.347   7.0859   49.342   8.0403   47.902   10.679   51.227   12.217   83.050   9.4889   85.645   10.526 -2.594429 14.17183 
1 1 1   -2   21    4 o   52.117   10.089   19.967   7.2904   19.029   9.7141   21.178   11.032   50.800   13.767   53.434   14.751 -2.633236 20.17732 
1 1 1   -2   21    5 o  116.154   6.0329   93.968   9.4106  100.157   12.774   86.621   13.916  120.554   7.8192  111.754   9.1893 8.799561 12.06576 
1 1 1   -2   21    6 o   51.286   10.047   19.394   7.1646   19.362   9.3929   19.438   11.079   51.240   13.382   51.333   14.991 -0.9251022E-01 20.09450 
1 1 1   -2   21    7 o   56.905   9.4876   22.804   7.2206   16.255   9.3472   32.495   11.371   47.171   13.767   66.640   13.058 -19.46901 18.97529 
1 1 1   -2   21    8 o   73.281   7.7396   37.277   7.6342   34.687   10.110   40.714   11.645   70.425   10.593   76.138   11.287 -5.713593 15.47911 
1 1 1   -2   21    9 o  118.916   5.9954   99.166   9.5133  109.133   12.847   87.065   14.155  125.880   7.5313  111.952   9.3305 13.92876 11.99076 
1 1 1   -2   21   10 o   82.558   7.2360   47.147   8.0452   43.691   10.676   51.689   12.239   79.157   9.9521   85.960   10.507 -6.802155 14.47209 
1 1 1   -2   21   11 o   52.941   11.159   19.248   8.0298   16.604   9.5435   25.656   14.858   47.590   13.917   58.293   17.448 -10.70261 22.31837 
1 1 1   -2   21   12 o   60.247   9.8506   28.102   6.9124   29.634   7.8075   22.542   14.868   65.370   8.8135   55.125   17.620 10.24577 19.70117 
1 1 1   -2   21   13 o   53.610   10.181   21.817   6.8205   22.760   7.7367   18.527   14.449   56.170   10.552   51.049   17.415 5.121399 20.36221 
1 1 1   -2   21   14 o  106.621   7.2712   81.116   8.7381   82.471   9.9741   76.641   18.123  109.554   6.7184  103.688   12.898 5.865707 14.54247 
1 1 1   -2   21   15 o   68.496   9.9770   34.818   8.5555   35.653   10.412   33.083   15.011   71.229   10.787   65.763   16.787 5.465767 19.95398 
1 1 1   -2   21   16 o   67.027   9.6614   27.552   8.3401   16.357   9.9558   53.894   15.272   47.219   14.316   86.835   12.978 -39.61672 19.32290 
1 1 1   -2   21   17 o   69.076   9.4965   33.962   7.5159   33.109   8.6156   36.679   15.374   68.933   9.2231   69.218   16.603 -0.2851639 18.99304 
1 1 1   -2   21   18 o   35.953   10.076   6.0084   6.4593   6.1070   7.3666   5.6805   13.434   32.860   12.287   39.047   15.974 -6.186764 20.15286 
1 1 1   -2   21   19 o   49.090   10.739   18.041   7.6491   19.357   9.1965   15.089   13.778   50.977   13.206   47.203   16.939 3.773609 21.47849 
1 1 1   -2   21   20 o   49.332   11.728   17.593   9.2524   16.863   12.684   18.422   13.527   48.398   16.317   50.267   16.852 -1.869900 23.45692 
1 1 1   -2   21   21 o  107.539   6.9180   80.143   8.7349   79.164   10.079   83.096   17.506  107.145   6.9419  107.934   11.968 -0.7898254 13.83592 
1 1 1   -2   21   22 o   58.698   9.4629   30.058   7.0599   35.735   8.1854   13.569   13.950   71.666   8.4284   45.729   16.945 25.93642 18.92572 
1 1 1   -2   21   23 o   46.425   10.414   14.189   6.5545   12.285   7.5270   20.162   13.332   41.064   12.447   51.786   16.698 -10.72198 20.82707 
1 1 1   -2   21   24 o   33.610   8.6182   5.0223   6.4142   13.071   7.3495 -20.7007   13.139   42.136   12.182   25.085   12.194 17.05041 17.23639 
1 1 1   -2   21   25 o   16.583   8.1971 -14.7352   6.7581 -14.7352   6.7581   0.0000   0.0000   16.583   8.1971  ?   ?       ?      ? 
1 1 1   -2   21   26 f  112.173   6.7314   86.908   10.232   86.908   10.232   0.0000   0.0000  112.173   6.7314  ?   ?       ?      ? 
1 1 1   -2   21   27 o   75.484   8.5541   39.846   7.4048   38.037   8.5229   45.416   14.955   73.750   8.5279   77.218   14.831 -3.467499 17.10822 
1 1 1   -2   21   28 o   78.943   8.5061   42.820   7.5786   40.355   8.6325   51.108   15.828   75.963   8.3860   81.923   14.802 -5.960663 17.01230 
1 1 1   -2   21   29 o   62.195   9.5651   23.346   7.0198   16.864   7.9873   45.345   14.715   47.344   12.328   77.047   14.628 -29.70294 19.13029 
1 1 1   -2   21   30 o  149.501   6.2871  154.202   10.957  151.231   12.580  163.541   22.303  147.977   6.2735  151.025   10.897 -3.048264 12.57427 
1 1 1   -2   21   31 o   53.012   10.184   21.655   6.9376   21.922   8.0461   20.882   13.697   54.273   11.307   51.751   16.942 2.522678 20.36887 
1 1 1   -2   21   32 o   45.467   10.114   16.082   6.7405   17.746   7.8654   11.481   13.079   48.461   12.032   42.472   16.259 5.988529 20.22729 
1 1 1   -2   21   33 o   98.059   7.1614   66.558   8.2459   64.343   9.4782   73.454   16.723   96.069   7.2805  100.050   12.335 -3.981117 14.32289 
1 1 1   -2   21   34 o   27.242   8.7267  -2.3301   5.8758  -2.3037   6.6890  -2.4192   12.296   23.033   10.333   31.450   14.066 -8.417320 17.45340 
1 1 1   -2   21   35 o   50.920   8.8381   23.345   6.6788   30.333   7.8114   4.3532   12.878   65.444   8.8080   36.396   15.325 29.04833 17.67618 
1 1 1   -2   21   36 o   44.801   10.259   10.916   6.4627   6.1744   7.3673   26.745   13.461   32.315   12.243   57.286   16.465 -24.97132 20.51771 
1 1 1   -2   21   37 o   62.805   10.506   29.365   8.5139   23.919   10.495   39.848   14.560   55.135   14.016   70.475   15.653 -15.33968 21.01132 
1 1 1   -2   21   38 o   43.041   10.795   13.783   7.8705   15.157   10.066   11.620   12.625   44.369   14.524   41.714   15.973 2.655231 21.58916 
1 1 1   -2   21   39 o   42.827   10.794   13.037   7.7604   10.558   9.9251   16.936   12.448   39.041   14.323   46.613   16.153 -7.572407 21.58899 
1 1 1   -2   21   40 o   42.512   10.550   13.561   7.7338   17.044   10.122   8.6747   11.988   46.467   14.498   38.557   15.330 7.909939 21.09964 
1 1 1   -2   21   41 o   52.260   10.859   21.104   8.1347   16.148   10.394   28.938   13.068   45.311   14.755   59.209   15.936 -13.89820 21.71795 
1 1 1   -2   21   42 o   34.971   10.035   5.9832   7.5089   8.5011   9.9454   2.6451   11.451   36.726   14.149   33.216   14.235 3.509739 20.07069 
1 1 1   -2   21   43 o   40.677   10.459   12.021   7.6284   15.213   10.169   7.9142   11.536   44.028   14.608   37.326   14.971 6.701244 20.91720 
1 1 1   -2   21   44 o   38.817   14.216   10.766   9.7707   10.766   9.7707   0.0000   0.0000   38.817   14.216  ?   ?       ?      ? 
1 1 1   -2   21   45 o   59.305   13.431   27.959   10.544   27.959   10.544   0.0000   0.0000   59.305   13.431  ?   ?       ?      ? 
1 1 1   -2   21   46 o   58.869   13.248   27.538   10.313   27.538   10.313   0.0000   0.0000   58.869   13.248  ?   ?       ?      ? 
1 1 1   -2   21   47 o   92.412   13.293   66.241   16.647   66.241   16.647   0.0000   0.0000   92.412   13.293  ?   ?       ?      ? 
1 1 1   -2   21   48 o   62.407   16.852   33.920   14.586   33.920   14.586   0.0000   0.0000   62.407   16.852  ?   ?       ?      ? 
1 1 1   -2   21   49 o   38.551   15.746   8.9507   13.027   8.9507   13.027   0.0000   0.0000   38.551   15.746  ?   ?       ?      ? 
1 1 1   -2   21   50 o   54.223   16.878   26.121   13.726   26.121   13.726   0.0000   0.0000   54.223   16.878  ?   ?       ?      ? 
1 1 1   -2   21   51 o   49.366   13.904   20.271   9.6976   20.271   9.6976   0.0000   0.0000   49.366   13.904  ?   ?       ?      ? 
1 1 1   -2   21   52 o   39.148   13.739   12.112   9.0192   12.112   9.0192   0.0000   0.0000   39.148   13.739  ?   ?       ?      ? 
1 1 1   -2   21   53 o   36.093   13.458   9.6452   8.8271   9.6452   8.8271   0.0000   0.0000   36.093   13.458  ?   ?       ?      ? 
1 1 1   -2   21   54 o   29.208   12.272   3.4062   8.2293   3.4062   8.2293   0.0000   0.0000   29.208   12.272  ?   ?       ?      ? 
1 1 1   -2   21   55 o   28.873   12.250   3.0599   8.3276   3.0599   8.3276   0.0000   0.0000   28.873   12.250  ?   ?       ?      ? 
1 1 1   -2   21   56 o   54.449   12.805   24.859   9.2894   24.859   9.2894   0.0000   0.0000   54.449   12.805  ?   ?       ?      ? 
1 1 1   -2   21   57 o   35.298   13.490   9.6213   8.9941   9.6213   8.9941   0.0000   0.0000   35.298   13.490  ?   ?       ?      ? 
1 1 1   -2   21   58 o   32.669   13.152   7.2823   8.9385   7.2823   8.9385   0.0000   0.0000   32.669   13.152  ?   ?       ?      ? 
1 1 1   -2   21   59 o   45.284   16.674   20.888   13.467   20.888   13.467   0.0000   0.0000   45.284   16.674  ?   ?       ?      ? 
1 1 1   -2   21   60 o   33.505   14.683   6.3076   12.746   6.3076   12.746   0.0000   0.0000   33.505   14.683  ?   ?       ?      ? 
1 1 1   -2   22    1 o   30.031   9.6122  -9.6430   8.6370 -19.0431   11.278   3.6875   13.431   22.873   11.158   37.189   15.655 -14.31561 19.22433 
1 1 1   -2   22    2 o   43.638   10.089   12.951   6.7671   9.7032   8.5715   18.325   11.025   38.041   13.391   49.235   15.094 -11.19477 20.17759 
1 1 1   -2   22    3 o   44.112   9.8274   14.527   6.6769   17.224   8.6507   10.553   10.501   47.883   12.998   40.340   14.743 7.543568 19.65477 
1 1 1   -2   22    4 o   38.776   9.8092   8.5386   6.5807   4.2174   8.3993   15.407   10.590   31.812   12.770   45.740   14.894 -13.92816 19.61839 
1 1 1   -2   22    5 o   35.707   10.169   5.0426   7.5885   8.6928   11.356   2.0976   10.200   39.164   15.110   32.250   13.613 6.913982 20.33779 
1 1 1   -2   22    6 o   47.090   15.022   16.542   10.811   0.0000   0.0000   16.542   10.811  ?   ?    47.090   15.022      ?      ? 
1 1 1   -2   22    7 o   82.064   10.923   48.011   12.147   0.0000   0.0000   48.011   12.147  ?   ?    82.064   10.923      ?      ? 
1 1 1   -2   22    8 o   67.549   13.441   34.308   11.871   0.0000   0.0000   34.308   11.871  ?   ?    67.549   13.441      ?      ? 
1 1 1   -2   22    9 o   51.348   10.842   20.597   8.4432   13.248   13.058   25.877   11.068   44.506   16.414   58.190   14.169 -13.68406 21.68306 
1 1 1   -2   22   10 o   52.006   10.783   20.493   8.0630   23.808   12.197   17.921   10.746   55.391   15.590   48.621   14.900 6.770161 21.56553 
1 1 1   -2   22   11 f   96.477   7.9641   67.414   9.4708   68.561   11.350   64.785   17.184   98.991   8.4611   93.963   13.495 5.027702 15.92821 
1 1 1   -2   22   12 o   93.405   7.3763   57.501   7.9753   53.567   9.0344   71.393   16.976   87.753   7.5972   99.057   12.646 -11.30391 14.75268 
1 1 1   -2   22   13 o   66.613   9.5602   33.858   7.2454   34.535   8.2960   31.680   14.875   70.153   8.7265   63.073   17.013 7.079826 19.12034 
1 1 1   -2   22   14 o   61.001   11.448   28.988   9.5499   26.406   12.607   32.465   14.629   58.074   15.661   63.927   16.703 -5.852936 22.89625 
1 1 1   -2   22   15 o   68.410   8.8902   30.785   6.9713   27.253   7.9096   43.080   14.756   62.107   9.3979   74.712   15.094 -12.60461 17.78048 
1 1 1   -2   22   16 o   45.707   9.9698   8.8998   6.3149   3.0480   7.0982   31.111   13.829   28.723   11.665   62.691   16.171 -33.96866 19.93966 
1 1 1   -2   22   17 o   70.487   9.7405   44.762   7.4099   50.599   8.4223   24.767   15.588   85.287   7.2873   55.688   18.067 29.59945 19.48096 
1 1 1   -2   22   18 o   41.846   12.162   13.094   7.3081   13.094   7.3081   0.0000   0.0000   41.846   12.162  ?   ?       ?      ? 
1 1 1   -2   22   19 o   36.069   12.294   9.0760   7.2002   9.0760   7.2002   0.0000   0.0000   36.069   12.294  ?   ?       ?      ? 
1 1 1   -2   22   20 o   56.757   10.158   26.874   7.1043   29.059   7.9379   18.077   15.926   64.075   9.1418   49.439   18.143 14.63571 20.31587 
1 1 1   -2   22   21 o   64.752   9.7527   32.301   7.1020   32.708   8.0308   30.839   15.213   68.086   8.7040   61.417   17.456 6.668419 19.50532 
1 1 1   -2   22   22 o   46.442   10.109   16.995   6.5923   18.375   7.5099   12.360   13.762   49.418   11.440   43.467   16.669 5.951397 20.21734 
1 1 1   -2   22   23 o   38.028   8.8044   10.630   6.3294   16.948   7.2480  -9.6645   12.990   47.409   11.418   28.647   13.405 18.76147 17.60888 
1 1 1   -2   22   24 o   44.054   9.4689   5.8059   6.3740  -2.1279   7.2555   32.633   13.342   24.178   10.810   63.931   15.549 -39.75238 18.93772 
1 1 1   -2   22   25 o   43.789   9.6532   15.730   6.7947   20.018   7.8711   3.1918   13.460   51.455   11.569   36.123   15.456 15.33251 19.30633 
1 1 1   -2   22   26 o   36.388   9.6666   8.6485   6.3372   10.997   7.2732   1.2454   12.913   38.537   12.324   34.238   14.896 4.299839 19.33313 
1 1 1   -2   22   27 o   42.872   9.4769   15.151   6.5745   19.354   7.5528   2.0044   13.357   50.609   11.299   35.136   15.218 15.47309 18.95377 
1 1 1   -2   22   28 o   36.369   10.077   7.4463   6.3913   7.3293   7.2679   7.8453   13.424   33.550   12.265   39.188   15.993 -5.638565 20.15428 
1 1 1   -2   22   29 o   98.212   7.2923   66.456   8.2334   63.495   9.3520   76.660   17.361   95.193   7.2496  101.232   12.655 -6.039398 14.58469 
1 1 1   -2   22   30 o   34.743   9.2213   7.5739   6.2927   11.775   7.1739  -6.4441   13.105   39.481   12.187   30.006   13.842 9.474123 18.44264 
1 1 1   -2   22   31 o   45.935   10.947   16.449   7.8271   16.792   9.5293   15.739   13.722   46.202   14.005   45.669   16.829 0.5327873 21.89421 
1 1 1   -2   22   32 o   28.903   8.9605  -2.2260   7.3134   5.1377   9.0687 -15.9223   12.368   32.763   13.227   25.043   12.091 7.719162 17.92098 
1 1 1   -2   22   33 o   83.339   8.5228   50.346   9.1812   46.859   11.257   57.272   15.866   80.173   10.362   86.506   13.535 -6.332802 17.04553 
1 1 1   -2   22   34 o   41.618   10.517   6.1530   9.3356   26.588   13.580 -12.1586   12.855   56.201   16.648   27.034   12.856 29.16709 21.03422 
1 1 1   -2   22   35 o   66.457   11.250   35.953   10.094   46.895   15.163   27.246   13.527   76.094   15.236   56.821   16.556 19.27242 22.49952 
1 1 1   -2   22   36 o   38.515   10.053   2.6168   8.5958   23.143   12.794 -14.2703   11.605   52.551   16.284   24.479   11.792 28.07214 20.10541 
1 1 1   -2   22   37 o   36.441   9.8846  -0.1213   8.4199   20.588   12.600 -16.8302   11.318   49.749   16.248   23.132   11.261 26.61694 19.76916 
1 1 1   -2   22   38 o   35.338   10.347   3.9235   8.6999  -5.7365   12.847   12.107   11.824   29.668   13.693   41.007   15.516 -11.33945 20.69419 
1 1 1   -2   22   39 o   70.777   16.550   42.542   15.590   42.542   15.590   0.0000   0.0000   70.777   16.550  ?   ?       ?      ? 
1 1 1   -2   22   40 o   25.234   12.124 -13.6086   12.084 -13.6086   12.084   0.0000   0.0000   25.234   12.124  ?   ?       ?      ? 
1 1 1   -2   22   41 o   56.055   13.639   25.459   10.262   25.459   10.262   0.0000   0.0000   56.055   13.639  ?   ?       ?      ? 
1 1 1   -2   22   42 o   27.971   12.133   0.9171   8.5152   0.9171   8.5152   0.0000   0.0000   27.971   12.133  ?   ?       ?      ? 
1 1 1   -2   22   43 o   28.586   12.302   1.6083   8.6171   1.6083   8.6171   0.0000   0.0000   28.586   12.302  ?   ?       ?      ? 
1 1 1   -2   22   44 o   35.195   13.366   8.5265   8.7941   8.5265   8.7941   0.0000   0.0000   35.195   13.366  ?   ?       ?      ? 
1 1 1   -2   22   45 o   48.575   13.703   19.621   9.4117   19.621   9.4117   0.0000   0.0000   48.575   13.703  ?   ?       ?      ? 
1 1 1   -2   22   46 f   36.471   13.458   9.9255   8.7808   9.9255   8.7808   0.0000   0.0000   36.471   13.458  ?   ?       ?      ? 
1 1 1   -2   22   47 o   27.039   11.925   0.1962   8.5300   0.1962   8.5300   0.0000   0.0000   27.039   11.925  ?   ?       ?      ? 
1 1 1   -2   22   48 o   35.270   13.254   9.1959   8.5930   9.1959   8.5930   0.0000   0.0000   35.270   13.254  ?   ?       ?      ? 
1 1 1   -2   22   49 o   26.981   11.820   0.8656   8.2553   0.8656   8.2553   0.0000   0.0000   26.981   11.820  ?   ?       ?      ? 
1 1 1   -2   22   50 o   36.346   13.276   10.488   8.5129   10.488   8.5129   0.0000   0.0000   36.346   13.276  ?   ?       ?      ? 
1 1 1   -2   22   51 o   22.493   10.532  -5.1250   8.0378  -5.1250   8.0378   0.0000   0.0000   22.493   10.532  ?   ?       ?      ? 
1 1 1   -2   22   52 f   29.869   13.388   1.0937   11.204   1.0937   11.204   0.0000   0.0000   29.869   13.388  ?   ?       ?      ? 
1 1 1   -2   22   53 o   22.604   10.939 -11.3197   10.269 -11.3197   10.269   0.0000   0.0000   22.604   10.939  ?   ?       ?      ? 
1 1 1   -2   22   54 o   28.767   13.077   0.1033   11.136   0.1033   11.136   0.0000   0.0000   28.767   13.077  ?   ?       ?      ? 
1 1 1   -2   22   55 o   27.344   11.906   2.5125   8.2636   2.5125   8.2636   0.0000   0.0000   27.344   11.906  ?   ?       ?      ? 
1 1 1   -2   23    1 o   32.549   9.8517  -1.2216   6.5100  -4.5970   7.3291   11.397   14.171   22.529   10.378   42.570   16.749 -20.04072 19.70340 
1 1 1   -2   23    2 o   37.664   10.172   0.5175   6.7121  -5.4866   7.5605   22.854   14.583   22.391   10.394   52.937   17.489 -30.54511 20.34461 
1 1 1   -2   23    3 o   34.029   9.8359   5.3711   6.6090   6.3770   7.6131   2.2943   13.315   32.761   12.437   35.298   15.241 -2.537365 19.67178 
1 1 1   -2   23    4 o   89.719   6.9552   60.729   7.9518   71.491   10.355   45.263   12.413  100.945   7.5701   78.493   11.670 22.45197 13.91041 
1 1 1   -2   23    5 o   23.102   7.5866  -6.2031   5.7961  -2.1761   7.2877 -13.1356   9.5618   24.143   10.811   22.061   10.646 2.081547 15.17319 
1 1 1   -2   23    6 o   37.615   10.100   2.7982   6.8139  -3.1978   7.8698   20.753   13.618   24.412   11.056   50.817   16.906 -26.40516 20.20054 
1 1 1   -2   23    7 o   54.605   18.068   24.732   15.561   0.0000   0.0000   24.732   15.561  ?   ?    54.605   18.068      ?      ? 
1 1 1   -2   23    8 o   68.817   18.456   40.345   17.566   0.0000   0.0000   40.345   17.566  ?   ?    68.817   18.456      ?      ? 
1 1 1   -2   23    9 o   58.869   8.9789   28.910   7.1409   38.322   9.2539   15.056   11.227   73.217   9.3268   44.520   15.346 28.69662 17.95771 
1 1 1   -2   23   10 o   52.348   12.291   21.046   8.5700   21.046   8.5700   0.0000   0.0000   52.348   12.291  ?   ?       ?      ? 
1 1 1   -2   23   11 o   36.497   11.811   9.7739   6.6649   9.7739   6.6649   0.0000   0.0000   36.497   11.811  ?   ?       ?      ? 
1 1 1   -2   23   12 o   31.793   11.667   6.4449   6.5863   6.4449   6.5863   0.0000   0.0000   31.793   11.667  ?   ?       ?      ? 
1 1 1   -2   23   13 o   59.826   9.7774   30.953   6.8162   33.554   7.6439   20.855   15.060   68.880   8.1892   50.771   17.757 18.10841 19.55472 
1 1 1   -2   23   14 o   39.246   10.073   10.382   6.0467   10.345   6.7737   10.527   13.416   37.329   11.889   41.163   16.264 -3.834648 20.14616 
1 1 1   -2   23   15 o   39.512   10.247   9.5072   6.0271   8.2563   6.7220   14.636   13.611   34.302   11.871   44.722   16.705 -10.41949 20.49356 
1 1 1   -2   23   16 o   49.533   10.499   16.266   6.4230   13.546   7.1709   27.305   14.445   42.061   11.995   57.005   17.235 -14.94355 20.99822 
1 1 1   -2   23   17 o   63.474   9.4975   27.780   6.8525   24.967   7.7184   38.248   14.891   58.857   9.6771   68.092   16.345 -9.234505 18.99494 
1 1 1   -2   23   18 o   29.303   9.0981   0.7592   5.9333   1.0292   6.7059  -0.2142   12.732   25.761   10.963   32.846   14.523 -7.085114 18.19625 
1 1 1   -2   23   19 o   44.826   10.416   14.672   6.4237   13.954   7.2393   17.330   13.931   42.590   12.019   47.062   17.014 -4.472115 20.83115 
1 1 1   -2   23   20 o   32.518   9.3739   5.1389   6.0721   6.6986   6.9430   0.0650   12.523   32.316   11.958   32.721   14.439 -0.4049301 18.74772 
1 1 1   -2   23   21 o   30.916   9.1986   3.4296   5.8971   4.3224   6.7306   0.4797   12.234   29.206   11.526   32.627   14.339 -3.420700 18.39717 
1 1 1   -2   23   22 o   42.657   9.2587   15.466   6.3300   19.533   7.2333   2.1654   13.081   50.770   10.843   34.545   15.011 16.22565 18.51736 
1 1 1   -2   23   23 o   35.456   9.1589   8.8009   5.9980   12.249   6.7708  -3.7697   12.928   39.991   11.730   30.921   14.069 9.070265 18.31771 
1 1 1   -2   23   24 o   23.677   7.8289  -4.7465   5.6316  -1.7404   6.3531 -15.7714   12.167   22.630   10.117   24.724   11.951 -2.094378 15.65781 
1 1 1   -2   23   25 o   41.649   10.656   11.956   7.2454   9.7902   8.6846   16.915   13.141   37.150   13.433   46.147   16.544 -8.996429 21.31128 
1 1 1   -2   23   26 o   36.740   10.231   7.5936   7.0187   5.9563   8.4442   11.253   12.624   32.731   12.913   40.750   15.873 -8.018757 20.46154 
1 1 1   -2   23   27 o   31.974   9.6558   0.6436   7.0647  -3.3850   8.5885   9.0732   12.424   25.207   11.468   38.740   15.537 -13.53293 19.31159 
1 1 1   -2   23   28 o   35.774   10.226   7.0589   7.4164   7.5475   9.0881   6.0849   12.832   34.860   13.498   36.689   15.365 -1.829506 20.45251 
1 1 1   -2   23   29 o   39.780   10.133   11.752   7.5068   16.579   9.1830   2.0287   13.033   45.465   13.741   34.095   14.896 11.37010 20.26624 
1 1 1   -2   23   30 o   35.568   10.229   5.7645   7.2137   3.2645   8.6491   11.478   13.075   30.242   12.636   40.894   16.088 -10.65207 20.45732 
1 1 1   -2   23   31 o   30.150   9.3735   0.7579   7.0206   1.1067   8.5283   0.0245   12.366   28.232   12.194   32.069   14.240 -3.837612 18.74709 
1 1 1   -2   23   32 o   46.803   10.527   18.568   7.6264   21.179   9.4046   13.554   13.033   51.160   13.404   42.447   16.235 8.713345 21.05348 
1 1 1   -2   23   33 o   52.940   10.661   21.527   7.6827   16.703   9.3314   31.679   13.536   45.286   13.886   60.593   16.180 -15.30727 21.32195 
1 1 1   -2   23   34 o   27.639   12.044   0.6355   8.4698   0.6355   8.4698   0.0000   0.0000   27.639   12.044  ?   ?       ?      ? 
1 1 1   -2   23   35 o   32.080   12.952   5.5041   8.6956   5.5041   8.6956   0.0000   0.0000   32.080   12.952  ?   ?       ?      ? 
1 1 1   -2   23   36 o   33.119   12.998   6.7870   8.5156   6.7870   8.5156   0.0000   0.0000   33.119   12.998  ?   ?       ?      ? 
1 1 1   -2   23   37 o   41.054   13.765   13.650   9.0250   13.650   9.0250   0.0000   0.0000   41.054   13.765  ?   ?       ?      ? 
1 1 1   -2   23   38 o   40.441   13.771   13.254   9.0348   13.254   9.0348   0.0000   0.0000   40.441   13.771  ?   ?       ?      ? 
1 1 1   -2   23   39 o   32.007   12.888   5.9014   8.5849   5.9014   8.5849   0.0000   0.0000   32.007   12.888  ?   ?       ?      ? 
1 1 1   -2   23   40 o   55.516   13.001   25.492   9.6087   25.492   9.6087   0.0000   0.0000   55.516   13.001  ?   ?       ?      ? 
1 1 1   -2   23   41 o   24.027   11.488  -9.9811   10.559  -9.9811   10.559   0.0000   0.0000   24.027   11.488  ?   ?       ?      ? 
1 1 1   -2   23   42 o   31.442   13.799   2.5879   11.296   2.5879   11.296   0.0000   0.0000   31.442   13.799  ?   ?       ?      ? 
1 1 1   -2   23   43 o   30.146   13.501   0.6760   11.367   0.6760   11.367   0.0000   0.0000   30.146   13.501  ?   ?       ?      ? 
1 1 1   -2   23   44 o   25.855   12.077  -5.0530   10.465  -5.0530   10.465   0.0000   0.0000   25.855   12.077  ?   ?       ?      ? 
1 1 1   -2   23   45 o   31.022   13.589   3.2713   10.908   3.2713   10.908   0.0000   0.0000   31.022   13.589  ?   ?       ?      ? 
1 1 1   -2   23   46 o   29.378   12.444   4.0736   8.5730   4.0736   8.5730   0.0000   0.0000   29.378   12.444  ?   ?       ?      ? 
1 1 1   -2   23   47 o   58.292   12.275   28.847   9.3897   28.847   9.3897   0.0000   0.0000   58.292   12.275  ?   ?       ?      ? 
1 1 1   -2   23   48 o   33.014   12.850   8.5013   8.2683   8.5013   8.2683   0.0000   0.0000   33.014   12.850  ?   ?       ?      ? 
1 1 1   -2   23   49 o   26.461   11.645   1.7066   8.0926   1.7066   8.0926   0.0000   0.0000   26.461   11.645  ?   ?       ?      ? 
1 1 1   -2   24    1 o   32.608   10.168  -0.3927   9.1066   5.8365   11.316 -11.8407   15.341   35.255   14.568   29.960   14.188 5.294889 20.33532 
1 1 1   -2   24    2 o   56.515   11.027   24.567   7.7293   22.586   8.8057   31.213   16.133   53.741   12.350   59.290   18.272 -5.548309 22.05415 
1 1 1   -2   24    3 o   73.284   8.3439   42.270   7.6249   47.529   9.8077   34.234   12.123   81.279   8.9044   65.288   14.114 15.99035 16.68775 
1 1 1   -2   24    4 o   40.042   9.5718   10.217   6.4787   3.8497   8.3176   20.039   10.331   30.480   12.531   49.604   14.472 -19.12350 19.14355 
1 1 1   -2   24    5 o   61.331   8.8685   28.166   7.0247   22.490   8.9820   37.105   11.272   53.476   12.601   69.186   12.482 -15.71032 17.73702 
1 1 1   -2   24    6 o   43.936   8.9411   15.538   6.5516   23.988   8.4817   3.0367   10.316   55.824   11.591   32.048   13.617 23.77633 17.88221 
1 1 1   -2   24    7 o   33.795   9.3731   5.2954   6.2419   1.4547   7.9068   11.647   10.168   27.775   11.864   39.816   14.514 -12.04119 18.74619 
1 1 1   -2   24    8 o   45.978   9.7921   15.800   6.6100   11.062   8.4300   23.363   10.651   38.449   13.295   53.507   14.380 -15.05864 19.58417 
1 1 1   -2   24    9 o   27.862   8.9850  -2.8980   6.7129  -3.3152   7.8858  -1.8001   12.793   24.097   10.973   31.627   14.231 -7.530264 17.96992 
1 1 1   -2   24   10 o   36.785   9.4189   10.032   6.0510   12.683   6.7666  -0.5459   13.519   40.486   11.684   33.084   14.776 7.401474 18.83781 
1 1 1   -2   24   11 o   26.316   8.5919  -2.3478   5.6615  -1.5039   6.2392  -6.2824   13.472   22.540   10.055   30.091   13.935 -7.551485 17.18376 
1 1 1   -2   24   12 o   41.065   10.078   12.936   6.2172   13.727   6.9205   9.6270   14.155   42.013   11.715   40.118   16.403 1.894333 20.15686 
1 1 1   -2   24   13 o   34.757   8.1853   8.6180   5.8749   15.226   6.5212 -19.8461   13.535   44.487   10.902   25.027   12.212 19.46006 16.37054 
1 1 1   -2   24   14 o   75.035   9.9027   46.382   8.4869   48.326   9.9002   40.994   16.482   81.813   8.9298   68.258   17.678 13.55525 19.80540 
1 1 1   -2   24   15 o   30.505   12.367   4.4162   7.9624   4.4162   7.9624   0.0000   0.0000   30.505   12.367  ?   ?       ?      ? 
1 1 1   -2   24   16 o   40.943   10.110   12.849   6.2075   13.539   6.8874   9.8620   14.329   41.656   11.712   40.229   16.482 1.427227 20.21979 
1 1 1   -2   24   17 o   45.428   9.5947   17.994   6.3226   20.493   7.1239   8.7222   13.721   51.885   10.493   38.971   16.067 12.91364 19.18949 
1 1 1   -2   24   18 o   29.518   9.1998   0.3537   6.7303  -0.0924   8.1540   1.3072   11.922   26.718   11.725   32.317   14.180 -5.598850 18.39953 
1 1 1   -2   24   19 o   59.153   10.127   26.310   7.6799   20.731   9.2957   38.306   13.631   50.574   13.363   67.733   15.221 -17.15895 20.25481 
1 1 1   -2   24   20 o   40.743   9.4610   12.977   7.1280   20.547   8.8438  -1.0588   12.042   50.564   12.873   30.921   13.868 19.64301 18.92199 
1 1 1   -2   24   21 o   31.640   9.1584   3.6596   6.8127   9.4376   8.5021  -6.7053   11.387   36.185   13.260   27.095   12.637 9.090158 18.31681 
1 1 1   -2   24   22 o   32.756   9.5857   2.7374   6.7809  -1.8184   8.3367   11.644   11.656   25.619   11.511   39.894   15.331 -14.27502 19.17149 
1 1 1   -2   24   23 o   39.902   9.5465   12.262   7.0991   19.411   8.9256  -0.0481   11.712   48.794   13.186   31.011   13.809 17.78259 19.09309 
1 1 1   -2   24   24 o   43.061   10.518   13.577   7.3258   8.9405   9.1022   22.102   12.344   35.805   13.598   50.316   16.051 -14.51157 21.03684 
1 1 1   -2   24   25 o   33.480   9.5388   5.8144   7.0771   10.648   8.9118  -2.4382   11.645   37.525   13.602   29.435   13.377 8.090391 19.07763 
1 1 1   -2   24   26 o   41.869   10.473   12.774   7.2402   8.5480   8.9649   20.701   12.278   35.169   13.462   48.568   16.047 -13.39919 20.94615 
1 1 1   -2   24   27 o   45.354   10.755   17.003   7.3928   16.032   8.8619   19.224   13.406   43.995   13.539   46.713   16.714 -2.717861 21.51013 
1 1 1   -2   24   28 o   41.063   13.612   13.818   8.8313   13.818   8.8313   0.0000   0.0000   41.063   13.612  ?   ?       ?      ? 
1 1 1   -2   24   29 o   35.112   13.344   8.8299   8.7694   8.8299   8.7694   0.0000   0.0000   35.112   13.344  ?   ?       ?      ? 
1 1 1   -2   24   30 o   32.296   12.924   6.3205   8.5752   6.3205   8.5752   0.0000   0.0000   32.296   12.924  ?   ?       ?      ? 
1 1 1   -2   24   31 o   52.981   13.123   23.468   9.3727   23.468   9.3727   0.0000   0.0000   52.981   13.123  ?   ?       ?      ? 
1 1 1   -2   24   32 o   38.134   13.570   11.780   8.8254   11.780   8.8254   0.0000   0.0000   38.134   13.570  ?   ?       ?      ? 
1 1 1   -2   24   33 o   31.803   12.804   6.1948   8.4718   6.1948   8.4718   0.0000   0.0000   31.803   12.804  ?   ?       ?      ? 
1 1 1   -2   24   34 o   44.288   13.565   16.964   8.9078   16.964   8.9078   0.0000   0.0000   44.288   13.565  ?   ?       ?      ? 
1 1 1   -2   24   35 o   37.609   13.651   11.684   8.9806   11.684   8.9806   0.0000   0.0000   37.609   13.651  ?   ?       ?      ? 
1 1 1   -2   24   36 o   19.444   9.4815 -11.7712   8.1205 -11.7712   8.1205   0.0000   0.0000   19.444   9.4815  ?   ?       ?      ? 
1 1 1   -2   24   37 o   31.598   12.929   6.2511   8.8016   6.2511   8.8016   0.0000   0.0000   31.598   12.929  ?   ?       ?      ? 
1 1 1   -2   24   38 o   32.915   13.124   7.7953   8.8102   7.7953   8.8102   0.0000   0.0000   32.915   13.124  ?   ?       ?      ? 
1 1 1   -2   24   39 o   30.161   12.523   5.3313   8.4191   5.3313   8.4191   0.0000   0.0000   30.161   12.523  ?   ?       ?      ? 
1 1 1   -2   24   40 o   34.940   13.267   10.172   8.6629   10.172   8.6629   0.0000   0.0000   34.940   13.267  ?   ?       ?      ? 
1 1 1   -2   24   41 o   62.837   11.773   33.382   9.6566   33.382   9.6566   0.0000   0.0000   62.837   11.773  ?   ?       ?      ? 
1 1 1   -2   25    1 o   28.895   9.1074  -0.3577   7.1657   1.1451   10.844  -1.5226   9.5473   30.526   13.455   27.264   12.278 3.261280 18.21476 
1 1 1   -2   25    2 o   30.838   9.3866   0.3390   7.3647   9.1238   11.151  -6.4582   9.8084   36.866   14.743   24.810   11.622 12.05592 18.77324 
1 1 1   -2   25    3 o   28.443   9.0828  -1.6204   7.4575  -4.4070   11.444   0.4365   9.8318   27.975   12.916   28.911   12.774 -0.9359703 18.16553 
1 1 1   -2   25    4 o   47.926   10.955   19.406   8.0919   25.346   12.577   15.211   10.570   53.191   16.083   42.660   14.879 10.53049 21.90989 
1 1 1   -2   25    5 o   39.803   9.2046   12.532   6.5832   19.755   8.5387   1.9465   10.337   49.096   12.728   30.511   13.300 18.58507 18.40922 
1 1 1   -2   25    6 o   45.704   8.6209   17.185   6.7089   29.463   8.9705   1.6023   10.106   61.399   11.194   30.009   13.114 31.39022 17.24184 
1 1 1   -2   25    7 o   39.792   9.6893   12.921   6.4782   15.444   8.4097   9.2397   10.159   43.234   13.168   36.349   14.217 6.884892 19.37868 
1 1 1   -2   25    8 o   39.189   9.6552   12.383   7.3240   18.685   8.6802  -3.1924   13.646   47.470   13.076   30.907   14.209 16.56274 19.31046 
1 1 1   -2   25    9 o   36.187   9.8372   9.5132   6.8827   12.121   8.2194   3.3921   12.591   38.838   13.135   33.537   14.647 5.301189 19.67434 
1 1 1   -2   25   10 o   36.720   9.9520   4.4872   6.7915  -2.0102   7.9784   21.583   12.942   24.677   11.158   48.764   16.482 -24.08663 19.90396 
1 1 1   -2   25   11 o   40.456   10.475   11.429   7.0044   7.8482   8.3325   20.054   12.932   33.748   12.964   47.163   16.457 -13.41560 20.95015 
1 1 1   -2   25   12 o   40.521   10.568   12.272   7.1049   10.059   8.4367   17.669   13.175   36.263   13.221   44.779   16.491 -8.515995 21.13639 
1 1 1   -2   25   13 o   36.511   10.050   9.7411   6.9945   11.257   8.2852   5.9806   13.049   37.621   13.170   35.400   15.184 2.220245 20.10043 
1 1 1   -2   25   14 o   24.198   8.0774  -6.2346   6.4105  -6.0580   7.7483  -6.6177   11.412   21.745   10.232   26.652   12.501 -4.907301 16.15474 
1 1 1   -2   25   15 o   34.576   9.6217   8.0704   6.8716   11.496   8.3989   1.1354   11.951   37.837   13.260   31.314   13.946 6.523357 19.24335 
1 1 1   -2   25   16 o   35.908   10.036   9.0429   6.9593   8.9765   8.4997   9.1779   12.121   34.875   13.165   36.940   15.150 -2.064148 20.07117 
1 1 1   -2   25   17 o   60.098   9.9460   32.162   7.9244   35.412   9.7769   25.939   13.529   67.916   10.623   52.280   16.818 15.63587 19.89202 
1 1 1   -2   25   18 o   41.212   10.353   14.567   7.1618   15.488   8.7320   12.676   12.518   42.661   13.489   39.763   15.711 2.898132 20.70687 
1 1 1   -2   25   19 o   31.656   9.4788   4.6328   6.6984   4.1908   8.1778   5.5338   11.676   29.617   12.323   33.695   14.406 -4.078131 18.95752 
1 1 1   -2   25   20 o   34.936   9.9914   7.7761   6.9488   6.0991   8.4624   11.248   12.175   31.621   12.774   38.251   15.367 -6.630119 19.98289 
1 1 1   -2   25   21 o   38.062   13.403   12.011   8.5874   12.011   8.5874   0.0000   0.0000   38.062   13.403  ?   ?       ?      ? 
1 1 1   -2   25   22 o   41.910   13.731   15.264   8.9964   15.264   8.9964   0.0000   0.0000   41.910   13.731  ?   ?       ?      ? 
1 1 1   -2   25   23 o   63.911   12.047   33.554   10.051   33.554   10.051   0.0000   0.0000   63.911   12.047  ?   ?       ?      ? 
1 1 1   -2   25   24 o   25.040   11.404  -1.9097   8.5220  -1.9097   8.5220   0.0000   0.0000   25.040   11.404  ?   ?       ?      ? 
1 1 1   -2   25   25 o   26.533   11.714   0.8348   8.2532   0.8348   8.2532   0.0000   0.0000   26.533   11.714  ?   ?       ?      ? 
1 1 1   -2   25   26 o   26.069   11.574   0.4485   8.1672   0.4485   8.1672   0.0000   0.0000   26.069   11.574  ?   ?       ?      ? 
1 1 1   -2   25   27 o   45.444   13.725   18.658   9.1643   18.658   9.1643   0.0000   0.0000   45.444   13.725  ?   ?       ?      ? 
1 1 1   -2   25   28 o   43.164   13.871   17.032   9.2052   17.032   9.2052   0.0000   0.0000   43.164   13.871  ?   ?       ?      ? 
1 1 1   -2   25   29 o   27.033   11.924   1.5267   8.5326   1.5267   8.5326   0.0000   0.0000   27.033   11.924  ?   ?       ?      ? 
1 1 1   -2   25   30 o   22.881   10.700  -4.2120   8.2493  -4.2120   8.2493   0.0000   0.0000   22.881   10.700  ?   ?       ?      ? 
1 1 1   -2   25   31 f   36.178   13.377   11.523   8.6849   11.523   8.6849   0.0000   0.0000   36.178   13.377  ?   ?       ?      ? 
1 1 1   -2   26    1 o   21.334   10.271  -9.1375   8.7720   0.0000   0.0000  -9.1375   8.7720  ?   ?    21.334   10.271      ?      ? 
1 1 1   -2   26    2 o   44.000   14.320   18.049   9.7903   0.0000   0.0000   18.049   9.7903  ?   ?    44.000   14.320      ?      ? 
1 1 1   -2   26    3 f   31.614   13.108   6.3519   9.2072   0.0000   0.0000   6.3519   9.2072  ?   ?    31.614   13.108      ?      ? 
1 1 1   -2   26    4 f   33.222   13.451   8.0304   9.4079   0.0000   0.0000   8.0304   9.4079  ?   ?    33.222   13.451      ?      ? 
1 1 1   -2   26    5 o   37.288   13.894   12.130   9.4036   0.0000   0.0000   12.130   9.4036  ?   ?    37.288   13.894      ?      ? 
1 1 1   -2   26    6 o   25.824   11.682  -0.6265   8.7569   0.0000   0.0000  -0.6265   8.7569  ?   ?    25.824   11.682      ?      ? 
1 1 1   -2   26    7 o   23.659   11.429 -10.8125   11.087   0.0000   0.0000 -10.8125   11.087  ?   ?    23.659   11.429      ?      ? 
1 1 1   -2   26    8 o   34.410   10.218   6.6134   8.5566   15.679   12.221  -2.1036   11.984   40.485   15.660   28.335   13.129 12.14989 20.43538 
1 1 1   -2   26    9 o   28.840   9.3179  -0.2141   8.1320   0.7329   11.509  -1.1584   11.492   29.359   13.326   28.321   13.027 1.037617 18.63571 
1 1 1   -2   26   10 o   26.817   8.8248  -5.0306   8.0281   2.9993   11.356 -13.0533   11.351   30.524   13.594   23.110   11.256 7.413578 17.64961 
1 1 1   -2   26   11 o   42.312   11.247   17.991   8.7601   17.211   12.403   18.766   12.375   41.591   15.854   43.032   15.957 -1.441620 22.49406 
1 1 1   -2   26   12 o   28.458   13.062  -0.5972   11.466  -0.5972   11.466   0.0000   0.0000   28.458   13.062  ?   ?       ?      ? 
1 1 1   -2   26   13 o   26.334   12.361  -4.2227   11.189  -4.2227   11.189   0.0000   0.0000   26.334   12.361  ?   ?       ?      ? 
1 1 1   -2   26   14 o   29.892   13.531   1.7962   11.769   1.7962   11.769   0.0000   0.0000   29.892   13.531  ?   ?       ?      ? 
1 1 1   -1    0    1 o   7.1100   4.1815   0.3895   0.6833   0.3895   0.6833   0.0000   0.0000   7.1100   4.1815   7.1100   4.1815 -0.000000 0.000000 
1 1 1   -1    0    2 o   1.4679   1.0607  -0.2097   0.1094  -0.2097   0.1094   0.0000   0.0000   1.4679   1.0607   1.4679   1.0607 -0.000000 0.000000 
1 1 1   -1    0    3 o   7.8509   4.5878   0.4905   0.8133   0.4905   0.8133   0.0000   0.0000   7.8509   4.5878   7.8509   4.5878 -0.000000 0.000000 
1 1 1   -1    0    4 o   5.2066   1.2039   0.3233   0.1151  -0.6919   0.3874   0.4217   0.1206   2.8287   2.0370   7.5846   1.2837 -0.000000 0.000000 
1 1 1   -1    0    9 o  462.884   8.3164  1454.67   52.083  1480.80   74.394  1429.55   72.941  466.967   11.773  458.802   11.749 -0.000000 0.000000 
1 1 1   -1    0   10 o  361.900   7.0567  889.643   34.548  884.132   48.747  895.206   48.970  360.770   9.9882  363.029   9.9711 -0.000000 0.000000 
1 1 1   -1    0   11 o  437.824   8.0019  1301.83   47.404  1306.95   67.223  1296.77   66.857  438.681   11.325  436.967   11.308 -0.000000 0.000000 
1 1 1   -1    0   12 o  724.364   11.923  3563.63  116.899  3563.24  165.372  3564.02  165.267  724.324   16.869  724.404   16.856 -0.000000 0.000000 
1 1 1   -1    0   13 o  988.066   15.762  6633.52  210.793  6688.05  299.771  6580.19  296.470  992.084   22.323  984.048   22.258 -0.000000 0.000000 
1 1 1   -1    0   14 o  541.373   13.269  1990.43   97.211   0.0000   0.0000  1990.43   97.211  541.373   13.269  541.373   13.269 -0.000000 0.000000 
1 1 1   -1    0   15 f  994.926   22.438  6727.56  302.180   0.0000   0.0000  6727.56  302.180  994.926   22.438  994.926   22.438 -0.000000 0.000000 
1 1 1   -1    0   16 o  1301.19   20.445 11519.96  360.107 11526.75  509.453 11513.17  509.084  1301.58   28.916  1300.81   28.912 -0.000000 0.000000 
1 1 1   -1    0   17 o  963.678   15.420  6312.62  201.137  6309.05  284.385  6316.19  284.517  963.405   21.808  963.951   21.806 -0.000000 0.000000 
1 1 1   -1    0   18 o  203.434   5.5511  281.678   15.245  270.390   21.399  293.310   21.723  199.266   7.9534  207.603   7.7461 -0.000000 0.000000 
1 1 1   -1    0   19 o  650.691   10.923  2876.22   96.189  2841.83  135.129  2911.54  136.953  646.743   15.438  654.638   15.457 -0.000000 0.000000 
1 1 1   -1    0   20 f  808.705   13.181  4445.92  144.275  4452.01  204.274  4439.86  203.799  809.257   18.649  808.153   18.632 -0.000000 0.000000 
1 1 1   -1    0   21 o  409.782   10.950  1140.98   60.706  1140.98   60.706   0.0000   0.0000  409.782   10.950  409.782   10.950 -0.000000 0.000000 
1 1 1   -1    0   22 o  120.894   5.3174  100.179   8.6305  104.078   12.314   96.415   12.100  123.248   7.4348  118.540   7.6041 -0.000000 0.000000 
1 1 1   -1    0   23 o  403.302   7.6698  1105.39   41.849  1105.01   59.258  1105.76   59.109  403.231   10.862  403.373   10.831 -0.000000 0.000000 
1 1 1   -1    0   24 o  309.103   6.6024  649.581   27.599  649.538   39.126  649.622   38.935  309.091   9.3606  309.116   9.3139 -0.000000 0.000000 
1 1 1   -1    0   25 o  187.867   5.5928  240.538   14.179  236.343   20.036  244.747   20.070  186.208   7.9733  189.525   7.8449 -0.000000 0.000000 
1 1 1   -1    0   26 o  603.757   10.318  2476.51   84.275  2406.48  117.287  2551.27  121.173  594.927   14.568  612.587   14.616 -0.000000 0.000000 
1 1 1   -1    0   27 o  353.446   7.1258  849.159   34.067  848.279   48.279  850.032   48.078  353.261   10.104  353.632   10.051 -0.000000 0.000000 
1 1 1   -1    0   28 o  414.295   7.8492  1165.83   43.983  1195.51   63.118  1137.81   61.324  419.427   11.123  409.164   11.078 -0.000000 0.000000 
1 1 1   -1    0   29 o  587.523   10.113  2342.67   80.352  2436.28  116.409  2257.48  111.049  598.729   14.366  576.316   14.239 -0.000000 0.000000 
1 1 1   -1    0   30 o  689.655   11.533  3228.13  107.563  3105.07  148.673  3363.30  155.812  675.867   16.254  703.442   16.365 -0.000000 0.000000 
1 1 1   -1    0   31 o  373.178   7.4065  946.048   37.381  920.868   52.385  972.173   53.358  368.104   10.521  378.253   10.428 -0.000000 0.000000 
1 1 1   -1    0   32 o  808.422   18.685  4442.40  204.452   0.0000   0.0000  4442.40  204.452  808.422   18.685  808.422   18.685 -0.000000 0.000000 
1 1 1   -1    0   33 o  577.475   14.120  2265.55  110.351   0.0000   0.0000  2265.55  110.351  577.475   14.120  577.475   14.120 -0.000000 0.000000 
1 1 1   -1    0   34 o  448.766   8.3400  1368.13   50.638  1352.96   71.387  1383.50   71.840  446.254   11.823  451.278   11.765 -0.000000 0.000000 
1 1 1   -1    0   35 o  544.969   9.5914  2013.44   70.661  1914.96   97.383  2122.94  102.686  530.900   13.556  559.039   13.573 -0.000000 0.000000 
1 1 1   -1    0   36 o  228.865   6.1203  356.563   18.919  352.545   26.807  360.550   26.703  227.567   8.7218  230.163   8.5886 -0.000000 0.000000 
1 1 1   -1    0   37 o  967.149   15.559  6345.32  203.412  6666.93  297.212  6061.95  278.988  990.154   22.176  944.144   21.832 -0.000000 0.000000 
1 1 1   -1    0   38 o  755.007   17.690  3874.14  180.767  3874.14  180.767   0.0000   0.0000  755.007   17.690  755.007   17.690 -0.000000 0.000000 
1 1 1   -1    0   39 o  429.024   11.571  1250.65   67.163  1250.65   67.163   0.0000   0.0000  429.024   11.571  429.024   11.571 -0.000000 0.000000 
1 1 1   -1    0   40 f  782.875   12.907  4154.69  136.548  4388.46  199.960  3950.43  186.916  803.465   18.387  762.284   18.118 -0.000000 0.000000 
1 1 1   -1    0   41 o  532.661   9.4707  1925.77   68.225  1851.58   94.677  2005.92   98.400  521.979   13.405  543.343   13.382 -0.000000 0.000000 
1 1 1   -1    0   42 o  352.877   7.3331  846.015   34.987  863.217   50.251  829.831   48.742  356.359   10.426  349.394   10.315 -0.000000 0.000000 
1 1 1   -1    0   43 o  579.453   10.110  2280.50   79.249  2342.03  114.083  2223.11  110.169  587.008   14.361  571.899   14.235 -0.000000 0.000000 
1 1 1   -1    0   44 o  820.116   13.470  4575.98  149.522  4566.85  211.572  4585.09  211.341  819.292   19.080  820.940   19.020 -0.000000 0.000000 
1 1 1   -1    0   45 o  193.291   8.9282  254.911   23.273   0.0000   0.0000  254.911   23.273  193.291   8.9282  193.291   8.9282 -0.000000 0.000000 
1 1 1   -1    0   46 o  831.299   19.368  4704.04  217.918  4704.04  217.918   0.0000   0.0000  831.299   19.368  831.299   19.368 -0.000000 0.000000 
1 1 1   -1    0   47 f  364.586   7.5681  903.783   37.316  913.865   53.106  893.951   52.447  366.599   10.711  362.574   10.695 -0.000000 0.000000 
1 1 1   -1    0   48 o  505.662   9.2095  1732.12   62.887  1852.72   92.518  1628.54   85.738  521.982   13.098  489.341   12.950 -0.000000 0.000000 
1 1 1   -1    0   49 o  882.417   20.356  5308.19  243.127   0.0000   0.0000  5308.19  243.127  882.417   20.356  882.417   20.356 -0.000000 0.000000 
1 1 1   -1    0   50 o  382.553   7.7691  995.112   40.186  957.726   56.278  1034.00   57.401  375.193   11.091  389.914   10.883 -0.000000 0.000000 
1 1 1   -1    0   51 o  386.611   7.8070  1015.56   40.798  1053.65   59.047  980.758   56.435  393.549   11.092  379.673   10.989 -0.000000 0.000000 
1 1 1   -1    0   52 o  517.370   9.3834  1815.17   65.562  1938.36   96.399  1709.16   89.431  533.659   13.349  501.080   13.191 -0.000000 0.000000 
1 1 1   -1    0   53 o  447.370   8.5123  1360.17   51.480  1293.53   71.315  1432.68   74.390  435.911   12.094  458.829   11.983 -0.000000 0.000000 
1 1 1   -1    0   54 o  164.487   9.2013  185.309   20.363  185.309   20.363   0.0000   0.0000  164.487   9.2013  164.487   9.2013 -0.000000 0.000000 
1 1 1   -1    0   55 o  188.851   9.1768  243.748   23.359  243.748   23.359   0.0000   0.0000  188.851   9.1768  188.851   9.1768 -0.000000 0.000000 
1 1 1   -1    0   56 o  150.498   6.5293  155.384   13.195  157.765   19.010  153.171   18.331  151.601   9.3342  149.395   9.1325 -0.000000 0.000000 
1 1 1   -1    0   57 o  401.520   8.0210  1095.88   43.519  1148.90   63.320  1048.41   59.911  410.719   11.396  392.322   11.290 -0.000000 0.000000 
1 1 1   -1    0   58 o  286.353   6.9002  558.920   26.695  540.858   37.750  576.986   37.754  281.682   9.9174  291.025   9.5966 -0.000000 0.000000 
1 1 1   -1    0   59 o   72.033   10.430   39.184   8.8060   50.958   13.172   29.669   11.841   83.981   12.359   60.086   16.806 -0.000000 0.000000 
1 1 1   -1    0   60 o  133.243   6.8272  121.826   12.134  136.465   17.852  109.256   16.543  140.807   9.4537  125.678   9.8525 -0.000000 0.000000 
1 1 1   -1    0   61 o  243.691   6.6898  404.639   22.000  421.359   31.858  389.399   30.417  248.512   9.4915  238.870   9.4299 -0.000000 0.000000 
1 1 1   -1    0   62 o  333.094   7.3823  754.940   33.191  695.615   45.910  819.896   48.040  319.334   10.636  346.854   10.241 -0.000000 0.000000 
1 1 1   -1    0   63 o  105.605   7.5698   77.925   10.534   80.378   15.715   75.923   14.196  107.019   11.110  104.191   10.285 -0.000000 0.000000 
1 1 1   -1    0   64 o  142.198   9.3470  139.174   17.833   0.0000   0.0000  139.174   17.833  142.198   9.3470  142.198   9.3470 -0.000000 0.000000 
1 1 1   -1    0   65 o  346.283   10.558  818.001   49.439   0.0000   0.0000  818.001   49.439  346.283   10.558  346.283   10.558 -0.000000 0.000000 
1 1 1   -1    0   66 o  383.284   7.9553  998.679   41.154  1071.91   60.562  935.850   56.097  396.308   11.297  370.261   11.203 -0.000000 0.000000 
1 1 1   -1    0   67 o  264.341   6.9607  477.348   24.826  448.054   34.901  507.353   35.322  256.042   10.094  272.640   9.5872 -0.000000 0.000000 
1 1 1   -1    0   68 o  176.501   6.8901  213.402   16.338  220.834   23.951  206.935   22.342  179.352   9.9238  173.649   9.5608 -0.000000 0.000000 
1 1 1   -1    0   69 o  156.709   7.0627  169.157   14.855  165.541   21.037  172.754   20.980  154.985   10.115  158.432   9.8596 -0.000000 0.000000 
1 1 1   -1    0   70 o  225.577   9.7638  348.228   29.719  348.228   29.719   0.0000   0.0000  225.577   9.7638  225.577   9.7638 -0.000000 0.000000 
1 1 1   -1    0   71 o  341.733   7.6084  797.576   35.130  756.552   49.021  840.886   50.368  332.641   10.901  350.826   10.616 -0.000000 0.000000 
1 1 1   -1    0   72 o  319.625   7.4307  697.375   32.059  646.907   44.435  752.166   46.299  307.495   10.693  331.755   10.321 -0.000000 0.000000 
1 1 1   -1    0   73 o  198.571   6.8596  270.662   18.313  247.492   25.682  294.630   26.120  189.770   10.051  207.373   9.3378 -0.000000 0.000000 
1 1 1   -1    0   74 o   51.672   13.660   24.596   8.9625   27.950   13.130   21.670   12.264   55.884   19.259   47.459   19.378 -0.000000 0.000000 
1 1 1   -1    0   75 o   69.467   11.874   39.676   9.6364   28.348   13.752   50.606   13.508   55.781   19.928   83.152   12.915 -0.000000 0.000000 
1 1 1   -1    0   76 o   85.381   9.4570   53.295   10.107   58.089   14.832   49.139   13.809   89.323   13.072   81.439   13.670 -0.000000 0.000000 
1 1 1   -1    0   77 o  123.119   7.4917  106.084   12.273  102.217   17.489  109.836   17.227  120.751   10.892  125.488   10.290 -0.000000 0.000000 
1 1 1   -1    0   78 o  198.012   6.8652  269.302   18.292  286.044   26.779  254.658   25.045  203.791   9.7474  192.233   9.6701 -0.000000 0.000000 
1 1 1   -1    0   79 o  195.318   9.5217  262.999   25.066   0.0000   0.0000  262.999   25.066  195.318   9.5217  195.318   9.5217 -0.000000 0.000000 
1 1 1   -1    0   80 o  136.097   7.3153  128.778   13.279  140.669   19.521  118.535   18.117  142.047   10.264  130.147   10.426 -0.000000 0.000000 
1 1 1   -1    0   81 o  115.335   7.6814   93.503   11.724  103.091   17.288   85.338   15.953  120.970   10.741  109.700   10.984 -0.000000 0.000000 
1 1 1   -1    0   82 o   37.032   12.697   13.751   8.3216   6.0272   12.185   20.502   11.392   28.439   17.199   45.625   18.684 -0.000000 0.000000 
1 1 1   -1    0   83 o  130.014   10.779  119.250   18.691  119.250   18.691   0.0000   0.0000  130.014   10.779  130.014   10.779 -0.000000 0.000000 
1 1 1   -1    0   84 o   82.510   14.101   51.549   14.384   51.549   14.384   0.0000   0.0000   82.510   14.101   82.510   14.101 -0.000000 0.000000 
1 1 1   -1    0   85 f   92.325   8.9134   62.440   10.323   75.582   15.199   51.186   14.065  102.413   11.303   82.237   13.785 -0.000000 0.000000 
1 1 1   -1    0   86 o   29.839   12.098   8.4049   7.9126   5.3151   11.177   11.509   11.203   26.756   16.320   32.923   17.863 -0.000000 0.000000 
1 1 1   -1    0   87 o  131.025   7.3405  121.302   12.749  141.505   18.704  103.771   17.424  141.635   9.8545  120.415   10.882 -0.000000 0.000000 
1 1 1   -1    0   88 o   91.452   9.0316   62.571   10.403   54.489   14.645   70.803   14.780   84.427   13.944   98.478   11.483 -0.000000 0.000000 
1 1 1   -1    0   89 o   84.951   9.3594   54.808   9.9575   53.253   14.405   56.230   13.780   83.263   13.941   86.639   12.491 -0.000000 0.000000 
1 1 1   -1    0   90 o   49.191   13.576   24.219   8.6541   27.267   12.810   21.659   11.738   52.706   19.389   45.676   19.006 -0.000000 0.000000 
1 1 1   -1    0   91 o   39.256   18.542   16.992   11.156   0.0000   0.0000   16.992   11.156   39.256   18.542   39.256   18.542 -0.000000 0.000000 
1 1 1   -1    0   92 o   28.593   16.703   8.1864   10.774   0.0000   0.0000   8.1864   10.774   28.593   16.703   28.593   16.703 -0.000000 0.000000 
1 1 1   -1    0   93 o   30.690   17.350   10.237   11.082   0.0000   0.0000   10.237   11.082   30.690   17.350   30.690   17.350 -0.000000 0.000000 
1 1 1   -1    0   94 o   25.551   16.124   4.0834   11.870   0.0000   0.0000   4.0834   11.870   25.551   16.124   25.551   16.124 -0.000000 0.000000 
1 1 1   -1    1    1 o   15.723   6.7219  -0.1312   2.5420  -0.1312   2.5420   0.0000   0.0000   15.723   6.7219  ?   ?       ?      ? 
1 1 1   -1    1    2 o   15.326   5.4284   1.3706   1.4106   0.0000   0.0000   1.3706   1.4106  ?   ?    15.326   5.4284      ?      ? 
1 1 1   -1    1    3 o   16.033   4.5212   1.7872   1.0248   0.0000   0.0000   1.7872   1.0248  ?   ?    16.033   4.5212      ?      ? 
1 1 1   -1    1    5 o  1197.38   18.863  9730.38  306.081  9730.38  306.081   0.0000   0.0000  1197.38   18.863  ?   ?       ?      ? 
1 1 1   -1    1    7 o  1082.26   12.103  7947.13  177.507  7977.52  251.585  7917.02  250.484  1084.32   17.122  1080.20   17.112 4.118652 24.20654 
1 1 1   -1    1    8 o  316.980   4.6078  680.918   19.793  676.382   27.918  685.502   28.065  315.919   6.5212  318.041   6.5117 -2.122772 9.215661 
1 1 1   -1    1    9 o  455.422   5.8055  1405.80   35.829  1409.36   50.723  1402.25   50.617  455.998   8.2084  454.847   8.2120 1.151093 11.61098 
1 1 1   -1    1   10 o  685.427   8.0209  3184.80   74.495  3143.73  104.504  3227.23  106.222  680.937   11.325  689.918   11.361 -8.981628 16.04184 
1 1 1   -1    1   11 o  901.417   10.234  5511.46  125.011  5490.51  176.326  5532.64  177.263  899.695   14.462  903.138   14.484 -3.443848 20.46796 
1 1 1   -1    1   12 o  565.629   6.8748  2168.31   52.688  2132.56   73.780  2205.52   75.267  560.872   9.7071  570.385   9.7376 -9.512756 13.74953 
1 1 1   -1    1   13 o  1143.53   25.543  8892.71  395.823  8892.71  395.823   0.0000   0.0000  1143.53   25.543  ?   ?       ?      ? 
1 1 1   -1    1   14 o  673.488   9.6920  3068.53   83.240  3101.12  145.079  3052.54  101.633  676.021   15.837  670.955   11.178 5.065918 19.38409 
1 1 1   -1    1   15 o  679.245   9.7752  3142.25   85.090  3168.44  104.766  3091.49  145.855  683.554   11.310  674.937   15.947 8.617554 19.55046 
1 1 1   -1    1   16 o  625.687   7.4502  2654.53   63.170  2664.00   89.475  2645.13   89.196  626.799   10.534  624.576   10.539 2.222961 14.90045 
1 1 1   -1    1   17 o  334.988   6.8069  760.606   30.900  760.606   30.900   0.0000   0.0000  334.988   6.8069  ?   ?       ?      ? 
1 1 1   -1    1   18 o  892.365   10.147  5403.73  122.696  5470.45  174.850  5339.01  172.216  897.789   14.372  886.942   14.328 10.84698 20.29401 
1 1 1   -1    1   19 o  870.825   12.203  5176.35  136.264  5228.53  167.969  5075.91  233.047  877.657   14.123  863.992   19.905 13.66516 24.40584 
1 1 1   -1    1   20 o  402.355   6.6130  1099.94   33.980  1104.01   41.640  1091.82   58.790  403.534   7.6147  401.177   10.814 2.356995 13.22596 
1 1 1   -1    1   21 o  392.074   6.4995  1043.56   32.605  1039.72   56.251  1045.51   40.013  391.465   10.604  392.682   7.5193 -1.217285 12.99905 
1 1 1   -1    1   22 o  755.661   10.753  3888.69  103.976  3857.20  179.090  3904.70  127.702  752.965   17.551  758.357   12.426 -5.391479 21.50501 
1 1 1   -1    1   23 o  550.784   6.7577  2058.18   50.438  2066.90   71.495  2049.53   71.167  551.946   9.5586  549.622   9.5550 2.323730 13.51540 
1 1 1   -1    1   24 o  356.653   5.0313  862.463   24.316  852.709   34.189  872.448   34.590  354.612   7.1145  358.693   7.1161 -4.080811 10.06256 
1 1 1   -1    1   25 f  375.954   5.1967  958.428   26.474  969.331   37.627  947.738   37.257  378.072   7.3441  373.837   7.3543 4.235168 10.39336 
1 1 1   -1    1   26 f  515.916   9.1060  1805.81   63.663  1805.81   63.663   0.0000   0.0000  515.916   9.1060  ?   ?       ?      ? 
1 1 1   -1    1   27 o  641.869   7.6536  2796.39   66.572  2786.61   93.932  2806.26   94.363  640.742   10.818  642.996   10.830 -2.253967 15.30718 
1 1 1   -1    1   28 o  446.017   5.8149  1349.11   35.145  1355.60   49.812  1342.68   49.595  447.084   8.2217  444.949   8.2252 2.135406 11.62970 
1 1 1   -1    1   29 o  707.288   8.3053  3395.24   79.603  3378.84  112.221  3411.84  112.933  705.570   11.737  709.006   11.754 -3.435852 16.61064 
1 1 1   -1    1   30 o  644.578   7.6962  2818.31   67.219  2859.84   95.834  2778.10   94.309  649.250   10.892  639.905   10.876 9.344666 15.39234 
1 1 1   -1    1   31 o  864.890   12.180  5125.83  135.554  4945.46  229.170  5222.89  168.117  852.678   19.833  877.103   14.144 -24.42505 24.35999 
1 1 1   -1    1   32 o  851.211   13.822  4917.91  159.434  4917.91  159.434   0.0000   0.0000  851.211   13.822  ?   ?       ?      ? 
1 1 1   -1    1   33 o  883.898   12.414  5378.64  141.738  5554.33  177.214  5066.73  236.132  904.578   14.457  863.219   20.186 41.35907 24.82891 
1 1 1   -1    1   34 o  805.208   9.3165  4398.48  101.645  4335.20  142.344  4464.31  145.193  799.303   13.141  811.112   13.209 -11.80920 18.63294 
1 1 1   -1    1   35 o  574.854   7.0400  2240.40   54.835  2278.62   78.262  2203.55   76.855  579.668   9.9630  570.039   9.9491 9.629028 14.07999 
1 1 1   -1    1   36 o  1222.32   13.657 10152.87  226.189 10307.34  322.951 10004.14  316.895  1231.43   19.353  1213.20   19.275 18.23181 27.31414 
1 1 1   -1    1   37 o  979.573   13.631  6550.69  171.125  6610.23  210.767  6435.53  293.134  986.654   15.764  972.493   22.243 14.16016 27.26260 
1 1 1   -1    1   38 o  740.746   8.6798  3722.77   87.127  3701.51  122.748  3744.36  123.691  738.615   12.263  742.876   12.287 -4.260681 17.35965 
1 1 1   -1    1   39 o  629.088   9.3260  2726.31   75.744  2548.93  126.066  2826.51   94.754  612.664   15.184  645.513   10.832 -32.84857 18.65190 
1 1 1   -1    1   40 o  404.062   6.8291  1125.27   35.524  1168.26   44.314  1047.96   59.425  415.102   7.8777  393.022   11.158 22.08011 13.65828 
1 1 1   -1    1   41 o  423.384   8.0688  1216.25   46.292  1224.56   65.846  1208.13   65.095  424.813   11.438  421.956   11.384 2.856903 16.13770 
1 1 1   -1    1   42 o  665.581   9.7465  2995.63   82.649  3046.07  144.507  2971.11  100.755  669.472   15.928  661.689   11.237 7.783447 19.49297 
1 1 1   -1    1   43 o  783.520   9.1284  4167.22   96.905  4092.03  135.472  4246.00  138.674  776.289   12.878  790.750   12.941 -14.46143 18.25685 
1 1 1   -1    1   44 o  723.593   8.5288  3553.89   83.619  3496.53  117.096  3613.56  119.449  717.640   12.041  729.546   12.082 -11.90631 17.05755 
1 1 1   -1    1   45 o  298.156   4.8344  602.749   19.533  607.771   27.672  597.762   27.575  299.395   6.8204  296.918   6.8532 2.476501 9.668744 
1 1 1   -1    1   46 o  344.280   7.2627  803.803   33.884  803.803   33.884   0.0000   0.0000  344.280   7.2627  ?   ?       ?      ? 
1 1 1   -1    1   47 o  339.186   5.1085  780.169   23.479  792.644   33.385  767.960   33.028  341.869   7.2063  336.502   7.2428 5.366852 10.21705 
1 1 1   -1    1   48 o  477.546   7.5893  1537.73   46.202  1581.10   80.905  1516.74   56.282  482.327   12.378  472.764   8.7850 9.562042 15.17861 
1 1 1   -1    1   49 o  725.605   10.505  3574.21   97.244  3616.62  169.324  3553.33  118.788  728.216   17.158  722.993   12.124 5.223450 21.00970 
1 1 1   -1    1   50 o  560.679   13.968  2140.23  106.129  2140.23  106.129   0.0000   0.0000  560.679   13.968  ?   ?       ?      ? 
1 1 1   -1    1   51 o  515.127   8.0839  1796.65   52.977  1782.11   64.498  1826.81   92.879  512.247   9.2914  518.007   13.231 -5.759888 16.16772 
1 1 1   -1    1   52 o  395.580   5.5669  1062.26   29.842  1062.40   42.191  1062.12   42.215  395.606   7.8700  395.554   7.8755 0.5236816E-01 11.13377 
1 1 1   -1    1   53 o  164.433   5.6361  189.544   11.710  201.719   14.455  166.292   19.976  172.434   6.1860  156.432   9.4231 16.00192 11.27210 
1 1 1   -1    1   54 o  237.196   5.7730  396.394   17.420  429.470   21.769  337.504   29.046  251.578   6.3852  222.815   9.6198 28.76329 11.54601 
1 1 1   -1    1   55 o  161.903   5.4085  172.383   11.151  194.303   19.962  162.442   13.443  169.093   8.7118  154.713   6.4120 14.37955 10.81706 
1 1 1   -1    1   56 o  133.978   5.8614  127.315   9.9013  106.263   16.692  138.744   12.299  124.979   9.8555  142.977   6.3476 -17.99792 11.72278 
1 1 1   -1    1   57 o  326.131   5.0967  722.344   22.525  723.012   31.857  721.677   31.853  326.282   7.2050  325.980   7.2107 0.3020020 10.19345 
1 1 1   -1    1   58 o  491.929   9.0815  1646.15   60.540  1646.15   60.540   0.0000   0.0000  491.929   9.0815  ?   ?       ?      ? 
1 1 1   -1    1   59 o  327.395   5.1178  728.167   22.705  719.817   31.976  736.658   32.244  325.501   7.2492  329.289   7.2260 -3.788574 10.23551 
1 1 1   -1    1   60 o  282.652   4.8549  542.673   18.595  549.087   26.418  536.375   26.178  284.308   6.8570  280.996   6.8746 3.312103 9.709731 
1 1 1   -1    1   61 o  178.022   4.5386  215.247   10.949  212.590   15.458  217.921   15.510  176.918   6.4475  179.127   6.3893 -2.208496 9.077127 
1 1 1   -1    1   62 o  189.464   4.5483  243.839   11.678  241.663   16.480  246.034   16.550  188.614   6.4475  190.315   6.4171 -1.700546 9.096641 
1 1 1   -1    1   63 o   97.817   6.1858   60.832   7.8453   80.668   13.772   51.304   9.5453  108.804   9.3408   86.830   8.1122 21.97383 12.37167 
1 1 1   -1    1   64 o   86.238   7.1585   53.135   7.7690   43.710   13.071   58.284   9.6607   79.919   12.069   92.558   7.7021 -12.63890 14.31707 
1 1 1   -1    1   65 o  274.163   5.9095  505.586   20.706  493.413   25.229  530.704   36.242  269.388   6.9111  278.937   9.5879 -9.549622 11.81907 
1 1 1   -1    1   66 o  159.830   5.6534  170.554   11.652  163.408   14.278  184.800   20.160  155.023   6.7963  164.637   9.0362 -9.613663 11.30676 
1 1 1   -1    1   67 o  254.465   4.8338  440.166   16.664  455.151   23.843  425.858   23.298  258.702   6.8010  250.229   6.8708 8.472687 9.667533 
1 1 1   -1    1   68 o   91.078   6.0723   56.749   7.4627   62.223   10.495   51.150   10.614   95.567   8.1038   86.589   9.0455 8.977692 12.14463 
1 1 1   -1    1   69 o  175.384   5.9118  210.010   13.189  210.607   16.101  208.793   22.993  175.950   6.7525  174.818   9.7056 1.132050 11.82353 
1 1 1   -1    1   70 o  236.727   5.9394  379.346   17.810  390.286   31.565  374.237   21.572  238.943   9.7484  234.511   6.7879 4.432053 11.87881 
1 1 1   -1    1   71 o  202.375   5.9593  283.011   15.234  269.516   26.608  289.591   18.580  198.470   9.8931  206.279   6.6468 -7.809402 11.91865 
1 1 1   -1    1   72 f  181.537   4.7948  224.087   11.785  237.527   17.007  211.670   16.346  186.774   6.7193  176.300   6.8420 10.47464 9.589701 
1 1 1   -1    1   73 o  211.002   4.8142  303.279   13.764  307.163   19.631  299.523   19.304  212.329   6.8225  209.676   6.7939 2.652435 9.628328 
1 1 1   -1    1   74 o   54.953   8.6404   21.849   6.3054   17.030   9.0010   26.492   8.8358   48.770   13.267   61.136   11.073 -12.36604 17.28075 
1 1 1   -1    1   75 o  103.560   5.4898   73.351   7.7000   71.151   10.948   75.505   10.831  102.004   7.9204  105.116   7.6038 -3.112740 10.97959 
1 1 1   -1    1   76 o  144.125   4.9621  141.922   9.6890  139.580   13.777  144.213   13.629  142.932   7.1129  145.317   6.9208 -2.384964 9.924272 
1 1 1   -1    1   77 o  138.138   5.0478  130.025   9.4228  144.516   13.757  117.217   12.933  145.390   6.9825  130.887   7.2915 14.50316 10.09560 
1 1 1   -1    1   78 o  146.520   6.0549  147.428   11.310  148.406   19.675  146.945   13.822  146.510   9.9096  146.530   6.9606 -0.1992798E-01 12.10990 
1 1 1   -1    1   79 o  235.910   4.8899  381.294   15.632  381.647   22.185  380.946   22.031  236.010   6.9364  235.809   6.8943 0.2010651 9.779867 
1 1 1   -1    1   80 o  138.343   6.2512  136.002   11.004  144.257   13.674  120.834   18.536  144.994   6.9594  131.692   10.386 13.30243 12.50248 
1 1 1   -1    1   81 o  114.809   5.2888   90.768   8.2275   92.504   11.727   89.085   11.546  115.894   7.4667  113.725   7.4922 2.168617 10.57757 
1 1 1   -1    1   82 o   88.789   7.2530   54.690   8.2324   53.512   10.054   57.087   14.342   87.835   8.4463   89.743   11.793 -1.907455 14.50590 
1 1 1   -1    1   83 o   39.486   9.6588   6.2683   6.4702  -0.0821   7.7983   20.298   11.591   27.102   11.683   51.871   15.384 -24.76933 19.31760 
1 1 1   -1    1   84 o   65.810   8.5903   28.742   7.1703   41.811   12.822   22.795   8.6491   76.152   12.425   55.468   11.866 20.68444 17.18061 
1 1 1   -1    1   85 o   82.784   6.3444   48.437   7.0719   44.385   10.281   52.075   9.7431   79.274   9.5701   86.293   8.3318 -7.018997 12.68879 
1 1 1   -1    1   86 o  110.370   5.3646   84.870   8.0182   89.052   11.567   81.001   11.124  112.998   7.5540  107.743   7.6192 5.255661 10.72919 
1 1 1   -1    1   87 o   82.343   6.0745   47.880   6.7728   45.787   9.5853   49.968   9.5710   80.467   8.7903   84.219   8.3861 -3.752022 12.14893 
1 1 1   -1    1   88 o   85.129   6.0478   51.310   6.9707   54.013   9.9070   48.660   9.8098   87.430   8.3618   82.827   8.7399 4.602478 12.09566 
1 1 1   -1    1   89 o   56.664   8.1579   24.352   6.0516   21.453   8.4929   27.341   8.6252   52.870   12.114   60.459   10.930 -7.588959 16.31575 
1 1 1   -1    1   90 o   33.891   8.9706   6.5565   6.1655  -2.9158   10.235   11.951   7.7241   28.077   12.672   39.704   12.701 -11.62725 17.94122 
1 1 1   -1    1   91 o   50.600   9.8082   20.356   6.7495   20.828   11.291   20.094   8.4195   50.448   15.235   50.751   12.358 -0.3028030 19.61635 
1 1 1   -1    1   92 o   36.923   9.8636   6.7916   7.5359  -2.9642   10.634   16.635   10.681   28.382   12.853   45.463   14.965 -17.08152 19.72729 
1 1 1   -1    1   93 o   57.969   10.476   27.301   8.7981   41.679   13.005   15.167   11.947   72.169   13.801   43.769   15.766 28.39977 20.95298 
1 1 1   -1    1   94 o   65.107   15.829   36.210   13.831   36.210   13.831   0.0000   0.0000   65.107   15.829  ?   ?       ?      ? 
1 1 1   -1    1   95 o   44.323   16.338   16.397   12.935   16.397   12.935   0.0000   0.0000   44.323   16.338  ?   ?       ?      ? 
1 1 1   -1    2    1 o  467.826   5.9103  1483.42   37.470  1486.27   53.032  1480.58   52.948  468.275   8.3571  467.378   8.3599 0.8966370 11.82070 
1 1 1   -1    2    2 o  590.083   10.020  2360.40   80.123   0.0000   0.0000  2360.40   80.123  ?   ?   590.083   10.020      ?      ? 
1 1 1   -1    2    3 o  937.461   10.604  5960.46  134.706  6017.73  191.756  5904.66  189.275  941.904   15.023  933.017   14.970 8.886902 21.20836 
1 1 1   -1    2    4 o  1268.35   14.071 10917.73  241.811 10739.94  338.339 11103.37  345.725  1257.81   19.850  1278.90   19.949 -21.09253 28.14172 
1 1 1   -1    2   10 o  576.873   6.9664  2255.55   54.453  2222.12   76.357  2290.15   77.677  572.524   9.8418  581.221   9.8621 -8.697205 13.93275 
1 1 1   -1    2   11 o  780.519   11.016  4096.96  109.130  4236.94  193.037  4031.21  132.302  790.051   18.030  770.986   12.663 19.06500 22.03272 
1 1 1   -1    2   12 o  636.452   15.130  2748.31  130.495  2748.31  130.495   0.0000   0.0000  636.452   15.130  ?   ?       ?      ? 
1 1 1   -1    2   14 o  1470.49   19.897 14529.91  369.542 14195.76  445.409 15267.96  661.959  1445.03   22.746  1495.95   32.653 -50.92798 39.79471 
1 1 1   -1    2   15 o  1206.11   16.571 10076.33  259.698 10595.35  328.880  9216.68  423.258  1248.85   19.433  1163.38   26.847 85.47070 33.14265 
1 1 1   -1    2   17 o  467.780   5.9690  1483.52   37.838  1482.20   53.435  1484.84   53.586  467.572   8.4333  467.988   8.4495 -0.4167175 11.93798 
1 1 1   -1    2   18 o  367.117   6.2678  917.208   29.369  923.936   36.003  903.825   50.777  369.182   7.1963  365.052   10.264 4.130127 12.53568 
1 1 1   -1    2   19 o  266.746   4.3320  482.279   15.659  478.267   22.056  486.354   22.234  265.627   6.1274  267.864   6.1253 -2.236389 8.663977 
1 1 1   -1    2   20 o  251.632   4.2396  429.183   14.456  425.307   20.350  433.132   20.540  250.485   5.9952  252.778   5.9963 -2.293625 8.479261 
1 1 1   -1    2   21 o  436.982   6.9784  1289.10   38.932  1314.59   67.848  1276.59   47.536  440.093   11.377  433.871   8.0850 6.222504 13.95688 
1 1 1   -1    2   22 o  486.394   7.5434  1611.57   47.016  1587.25   80.624  1624.09   57.875  483.471   12.306  489.317   8.7280 -5.845184 15.08687 
1 1 1   -1    2   23 o  444.960   5.7851  1342.83   34.882  1354.21   49.525  1331.63   49.139  446.830   8.1789  443.089   8.1837 3.741058 11.57011 
1 1 1   -1    2   24 o  464.205   5.9647  1461.45   37.519  1484.76   53.462  1438.84   52.665  467.851   8.4325  460.559   8.4383 7.292175 11.92949 
1 1 1   -1    2   25 o  613.909   7.3756  2557.79   61.357  2535.11   86.279  2580.99   87.274  611.158   10.418  616.661   10.444 -5.502380 14.75125 
1 1 1   -1    2   26 o  607.480   7.3213  2504.32   60.268  2485.33   84.809  2523.69   85.662  605.156   10.342  609.805   10.366 -4.649048 14.64264 
1 1 1   -1    2   27 o  431.020   5.6853  1259.78   33.206  1275.61   47.213  1244.28   46.712  433.700   8.0332  428.340   8.0474 5.360107 11.37068 
1 1 1   -1    2   28 o  659.519   7.8347  2951.65   70.021  2970.67   99.361  2932.88   98.690  661.630   11.082  657.408   11.078 4.221802 15.66941 
1 1 1   -1    2   29 o  813.054   11.540  4528.09  120.690  4377.85  204.326  4608.59  149.570  802.218   18.795  823.891   13.397 -21.67255 23.08094 
1 1 1   -1    2   30 o  675.448   9.8277  3118.99   85.283  3028.35  144.915  3167.02  105.485  667.671   16.016  683.224   11.393 -15.55377 19.65530 
1 1 1   -1    2   31 o  527.135   6.5832  1884.05   47.024  1909.51   66.916  1859.20   66.095  530.653   9.3054  523.616   9.3148 7.036743 13.16649 
1 1 1   -1    2   32 o  859.075   9.8485  5008.64  114.647  4966.93  161.226  5051.31  163.061  855.459   13.908  862.691   13.948 -7.231689 19.69695 
1 1 1   -1    2   33 o  778.646   11.138  4188.50  112.391  4381.88  141.627  3859.59  184.707  803.603   13.005  753.688   18.085 49.91553 22.27537 
1 1 1   -1    2   34 o  1047.89   14.494  7536.91  195.615  7701.04  243.047  7235.06  329.604  1064.83   16.843  1030.94   23.593 33.89417 28.98803 
1 1 1   -1    2   35 o  1158.38   15.907  9097.72  234.561  9035.33  285.837  9226.35  410.439  1153.15   18.292  1163.61   26.029 -10.45605 31.81341 
1 1 1   -1    2   36 o  1116.89   17.723  8474.97  268.237  8474.97  268.237   0.0000   0.0000  1116.89   17.723  ?   ?       ?      ? 
1 1 1   -1    2   37 o  687.005   16.270  3205.47  151.476  3205.47  151.476   0.0000   0.0000  687.005   16.270  ?   ?       ?      ? 
1 1 1   -1    2   38 o  862.509   9.9020  5049.67  115.734  5075.82  164.178  5023.85  163.173  864.727   14.010  860.290   13.997 4.437012 19.80397 
1 1 1   -1    2   39 o  652.805   9.5689  2881.60   79.645  2925.67  139.007  2860.06   97.177  656.307   15.630  649.303   11.044 7.004761 19.13784 
1 1 1   -1    2   40 o  540.546   8.2702  1979.37   57.104  1992.65   99.096  1972.77   69.871  541.770   13.498  539.323   9.5601 2.447205 16.54033 
1 1 1   -1    2   41 o  1022.36   16.345  7103.96  226.443  7103.96  226.443   0.0000   0.0000  1022.36   16.345  ?   ?       ?      ? 
1 1 1   -1    2   42 o  624.804   7.5754  2647.52   64.124  2715.42   91.932  2583.18   89.487  632.601   10.724  617.007   10.702 15.59424 15.15078 
1 1 1   -1    2   43 o  897.028   10.296  5464.29  125.116  5336.67  174.155  5600.42  179.864  886.221   14.501  907.836   14.620 -21.61420 20.59228 
1 1 1   -1    2   44 o  841.358   9.7236  4808.79  110.858  4857.00  157.794  4761.79  155.779  845.519   13.772  837.198   13.731 8.321655 19.44720 
1 1 1   -1    2   45 f  542.578   6.8029  1997.48   50.018  1985.56   70.456  2009.60   71.019  540.945   9.6113  544.210   9.6300 -3.264526 13.60571 
1 1 1   -1    2   46 o  459.574   7.4325  1446.17   43.939  1393.74   74.324  1474.34   54.478  452.974   12.108  466.173   8.6236 -13.19879 14.86507 
1 1 1   -1    2   47 o  305.097   5.9366  629.967   23.206  636.395   40.062  626.721   28.469  306.200   9.6547  303.994   6.9106 2.206116 11.87311 
1 1 1   -1    2   48 o  517.433   6.5818  1816.23   46.136  1769.28   64.267  1866.15   66.271  510.539   9.2892  524.326   9.3269 -13.78677 13.16356 
1 1 1   -1    2   49 o  589.275   7.2609  2358.52   57.980  2373.51   82.251  2343.73   81.745  591.135   10.268  587.415   10.269 3.720337 14.52170 
1 1 1   -1    2   50 o  433.922   7.1640  1271.24   39.651  1256.01   48.348  1302.54   69.297  430.165   8.2939  437.679   11.684 -7.514526 14.32802 
1 1 1   -1    2   51 o  603.464   9.0383  2436.19   68.954  2363.57   83.053  2597.28  123.706  589.714   10.393  617.213   14.790 -27.49829 18.07651 
1 1 1   -1    2   52 o  521.267   8.1721  1841.74   54.184  1828.50   65.974  1869.18   94.978  518.769   9.3846  523.765   13.382 -4.995972 16.34427 
1 1 1   -1    2   53 o  216.456   5.6018  317.453   15.472  316.108   18.907  320.181   26.918  215.840   6.4642  217.071   9.1507 -1.231323 11.20364 
1 1 1   -1    2   54 o  290.470   9.6058  573.638   37.811  573.638   37.811   0.0000   0.0000  290.470   9.6058  ?   ?       ?      ? 
1 1 1   -1    2   55 o  132.922   5.7468  117.392   9.7021  112.759   11.710  127.533   17.326  128.887   6.7047  136.956   9.3353 -8.068710 11.49352 
1 1 1   -1    2   56 o  265.252   5.7752  466.663   19.537  511.569   34.672  445.772   23.649  274.263   9.3289  256.241   6.8104 18.02176 11.55031 
1 1 1   -1    2   57 o  264.483   4.7572  474.901   17.049  467.864   23.983  482.091   24.241  262.501   6.7419  266.464   6.7133 -3.963623 9.514306 
1 1 1   -1    2   58 o  276.543   4.8076  518.805   18.007  497.579   25.025  541.593   25.929  270.682   6.8224  282.404   6.7755 -11.72244 9.615224 
1 1 1   -1    2   59 o  139.654   4.6296  132.457   8.7574  127.266   12.339  137.725   12.431  136.892   6.6517  142.416   6.4411 -5.524033 9.259185 
1 1 1   -1    2   60 o  226.837   6.5092  349.468   20.009  349.468   20.009   0.0000   0.0000  226.837   6.5092  ?   ?       ?      ? 
1 1 1   -1    2   61 o  196.475   4.5643  261.983   12.146  250.031   16.927  274.667   17.438  191.856   6.5105  201.095   6.3989 -9.238342 9.128608 
1 1 1   -1    2   62 o  305.807   6.1276  640.881   24.076  623.073   40.906  650.320   29.781  302.300   9.9855  309.315   7.1049 -7.014557 12.25520 
1 1 1   -1    2   63 o  197.163   5.5971  265.290   14.169  261.957   24.208  267.026   17.474  196.085   9.1104  198.240   6.5047 -2.154831 11.19428 
1 1 1   -1    2   64 o  127.025   4.9511  109.821   8.4939   98.617   11.920  121.378   12.106  120.417   7.3048  133.634   6.6852 -13.21626 9.902116 
1 1 1   -1    2   65 o  340.484   5.2661  788.599   24.295  805.424   34.570  772.180   34.151  344.078   7.4142  336.890   7.4804 7.188049 10.53218 
1 1 1   -1    2   66 o  180.564   5.6692  222.621   13.089  223.874   16.071  220.151   22.559  181.471   6.5349  179.658   9.2658 1.814011 11.33843 
1 1 1   -1    2   67 o  337.670   7.4902  776.092   34.274  776.092   34.274   0.0000   0.0000  337.670   7.4902  ?   ?       ?      ? 
1 1 1   -1    2   68 o  283.365   6.1797  545.265   22.277  540.869   27.126  554.373   39.044  281.929   7.1001  284.801   10.117 -2.871887 12.35942 
1 1 1   -1    2   69 o  177.928   4.7984  215.386   11.570  216.856   16.412  213.934   16.312  178.532   6.7837  177.324   6.7882 1.207382 9.596758 
1 1 1   -1    2   70 o  208.735   4.8049  296.509   13.581  281.568   19.080  311.854   19.337  203.387   6.9225  214.082   6.6652 -10.69479 9.609710 
1 1 1   -1    2   71 o  240.875   5.9808  395.758   18.322  396.774   32.015  395.263   22.343  240.802   9.8111  240.949   6.8429 -0.1473083 11.96169 
1 1 1   -1    2   72 o  155.679   5.9427  164.090   11.820  169.770   20.626  161.312   14.423  157.471   9.6657  153.887   6.9163 3.584839 11.88537 
1 1 1   -1    2   73 o  130.542   5.0969  116.153   9.0064  123.902   12.882  108.744   12.596  134.817   7.0512  126.267   7.3617 8.550056 10.19382 
1 1 1   -1    2   74 o  190.500   4.7893  247.336   12.359  257.529   17.646  237.524   17.314  194.363   6.6996  186.636   6.8458 7.726563 9.578645 
1 1 1   -1    2   75 f  173.832   6.7778  206.175   15.966   0.0000   0.0000  206.175   15.966  ?   ?   173.832   6.7778      ?      ? 
1 1 1   -1    2   76 o  109.641   5.4152   82.166   8.0205   91.462   11.564   73.550   11.133  115.648   7.3790  103.634   7.9276 12.01440 10.83033 
1 1 1   -1    2   77 o   72.378   8.3594   36.462   7.6073   38.677   13.037   35.318   9.3673   73.193   13.646   71.563   9.6592 1.630180 16.71887 
1 1 1   -1    2   78 o  122.767   5.2172  103.369   8.6349  117.384   12.388   90.126   12.042  130.939   6.9816  114.595   7.7548 16.34428 10.43449 
1 1 1   -1    2   79 o  116.900   5.2784   93.844   8.3610   92.484   11.833   95.200   11.816  116.042   7.5246  117.758   7.4044 -1.716484 10.55671 
1 1 1   -1    2   80 o  168.665   5.7324  190.035   12.479  177.124   15.240  216.307   21.740  160.619   7.0018  176.710   9.0785 -16.09140 11.46488 
1 1 1   -1    2   81 o   62.502   11.196   28.215   9.1349   28.215   9.1349   0.0000   0.0000   62.502   11.196  ?   ?       ?      ? 
1 1 1   -1    2   82 o   95.851   5.7893   63.833   7.4931   69.668   10.573   57.944   10.621  100.369   7.7732   91.333   8.5814 9.036110 11.57858 
1 1 1   -1    2   83 o  106.882   5.3704   79.114   7.7775   77.471   10.974   80.772   11.024  105.748   7.6582  108.017   7.5312 -2.268394 10.74086 
1 1 1   -1    2   84 o   94.390   5.7087   62.016   7.3001   63.622   10.466   60.494   10.188   95.577   8.0803   93.203   8.0663 2.374619 11.41736 
1 1 1   -1    2   85 o   71.097   8.5461   36.529   7.5044   38.821   13.271   35.451   9.0987   71.358   14.223   70.836   9.4785 0.5221863 17.09218 
1 1 1   -1    2   86 o   73.031   6.6276   38.053   6.5093   33.776   9.3691   42.043   9.0501   68.797   10.050   77.265   8.6435 -8.468010 13.25526 
1 1 1   -1    2   87 o   67.855   6.8900   32.980   6.3072   29.539   8.9115   36.434   8.9280   64.108   10.258   71.601   9.2014 -7.492317 13.77998 
1 1 1   -1    2   88 o   60.406   7.7346   27.107   6.1394   22.592   8.6871   31.611   8.6777   54.409   12.095   66.403   9.6435 -11.99379 15.46919 
1 1 1   -1    2   89 o   50.536   9.8279   20.815   6.8462   16.885   11.962   22.730   8.3489   46.425   15.845   54.647   11.631 -8.222584 19.65589 
1 1 1   -1    2   90 o   53.395   8.8592   25.276   7.0602   7.0048   11.996   34.958   8.7328   37.046   15.118   69.745   9.2397 -32.69918 17.71839 
1 1 1   -1    2   91 o   31.675   9.0182  -2.8888   7.3151 -18.7506   10.209   13.847   10.487   20.897   10.281   42.454   14.820 -21.55674 18.03648 
1 1 1   -1    2   92 o   42.916   10.149   13.782   6.6885   17.798   11.359   11.651   8.2752   46.701   15.436   39.130   13.180 7.571373 20.29724 
1 1 1   -1    2   93 o   29.934   13.349  -0.8735   10.990  -0.8735   10.990   0.0000   0.0000   29.934   13.349  ?   ?       ?      ? 
1 1 1   -1    2   94 o   58.559   16.273   29.941   13.378   29.941   13.378   0.0000   0.0000   58.559   16.273  ?   ?       ?      ? 
1 1 1   -1    2   95 o   40.455   15.944   12.151   12.864   12.151   12.864   0.0000   0.0000   40.455   15.944  ?   ?       ?      ? 
1 1 1   -1    2   96 o   44.068   16.220   16.840   12.743   16.840   12.743   0.0000   0.0000   44.068   16.220  ?   ?       ?      ? 
1 1 1   -1    3    1 o  1099.13   12.284  8198.02  182.958  8138.80  257.490  8258.40  260.012  1095.12   17.351  1103.14   17.393 -8.012451 24.56763 
1 1 1   -1    3    2 o  665.648   7.8427  3003.39   70.736  2955.62   99.073  3053.06  101.026  660.250   11.073  671.045   11.110 -10.79468 15.68546 
1 1 1   -1    3    3 o  527.232   6.4924  1884.18   46.385  1900.45   65.904  1868.21   65.296  529.487   9.1849  524.977   9.1783 4.509766 12.98475 
1 1 1   -1    3    4 o  649.208   7.6739  2856.71   67.502  2808.83   94.462  2906.67   96.494  643.653   10.830  654.764   10.875 -11.11157 15.34773 
1 1 1   -1    3    5 o  703.895   9.5495  3427.14   80.108  3504.12   93.803  3219.74  153.972  718.958   9.6279  688.832   16.495 30.12671 19.09900 
1 1 1   -1    3    6 o  611.375   7.3044  2534.00   60.515  2517.41   85.253  2550.86   85.914  609.358   10.324  613.393   10.336 -4.034790 14.60881 
1 1 1   -1    3    7 o  906.983   10.318  5580.32  126.818  5550.90  178.741  5610.15  179.962  904.576   14.581  909.390   14.603 -4.813721 20.63655 
1 1 1   -1    3    8 o  606.133   14.533  2492.42  119.373  2492.42  119.373   0.0000   0.0000  606.133   14.533  ?   ?       ?      ? 
1 1 1   -1    3    9 o  268.958   8.6592  490.363   31.561  490.363   31.561   0.0000   0.0000  268.958   8.6592  ?   ?       ?      ? 
1 1 1   -1    3   10 o  921.214   10.471  5757.90  130.723  5764.53  184.971  5751.28  184.768  921.744   14.809  920.683   14.809 1.060425 20.94294 
1 1 1   -1    3   11 o  900.454   14.534  5501.37  177.346   0.0000   0.0000  5501.37  177.346  ?   ?   900.454   14.534      ?      ? 
1 1 1   -1    3   12 o  719.778   10.273  3520.54   94.618  3531.02  116.161  3499.89  163.104  721.545   11.880  718.012   16.763 3.532532 20.54575 
1 1 1   -1    3   13 o  1033.74   14.263  7294.56  189.179  7364.16  233.319  7161.00  323.218  1041.48   16.532  1026.01   23.247 15.46899 28.52551 
1 1 1   -1    3   14 o  1054.41   11.882  7543.87  169.699  7343.32  235.795  7759.36  244.420  1039.90   16.732  1068.93   16.873 -29.03235 23.76321 
1 1 1   -1    3   15 o  445.058   11.593  1343.64   69.918   0.0000   0.0000  1343.64   69.918  ?   ?   445.058   11.593      ?      ? 
1 1 1   -1    3   16 o  373.747   6.4219  966.052   30.834  1010.71   38.464  885.759   51.576  386.123   7.3510  361.371   10.532 24.75192 12.84375 
1 1 1   -1    3   17 o  461.193   5.9284  1442.10   37.049  1460.59   52.714  1424.04   52.082  464.115   8.3814  458.271   8.3866 5.843933 11.85673 
1 1 1   -1    3   18 o  304.761   6.5371  629.640   26.998  629.640   26.998   0.0000   0.0000  304.761   6.5371  ?   ?       ?      ? 
1 1 1   -1    3   19 o  638.341   7.6080  2765.12   65.812  2758.09   92.915  2772.20   93.231  637.527   10.755  639.155   10.764 -1.628357 15.21607 
1 1 1   -1    3   20 o  641.066   7.6401  2788.87   66.368  2819.15   94.512  2759.41   93.218  644.497   10.821  637.635   10.788 6.862549 15.28023 
1 1 1   -1    3   21 o  408.730   6.7137  1143.67   35.267  1100.93   59.751  1166.52   43.689  402.725   10.949  414.735   7.7735 -12.00949 13.42748 
1 1 1   -1    3   22 o  309.705   4.6841  649.925   19.652  674.191   28.178  626.943   27.421  315.331   6.5941  304.079   6.6545 11.25189 9.368266 
1 1 1   -1    3   23 o  630.198   7.5607  2694.92   64.558  2751.51   92.300  2640.71   90.328  636.673   10.698  623.724   10.687 12.94916 15.12135 
1 1 1   -1    3   24 o  592.909   7.2000  2385.74   57.850  2392.01   81.847  2379.48   81.777  593.688   10.173  592.130   10.191 1.558411 14.40001 
1 1 1   -1    3   25 o  483.688   6.1596  1586.83   40.372  1603.24   57.381  1570.75   56.813  486.164   8.7097  481.212   8.7123 4.951965 12.31920 
1 1 1   -1    3   26 o  386.409   7.5264  1012.45   39.411  1012.45   39.411   0.0000   0.0000  386.409   7.5264  ?   ?       ?      ? 
1 1 1   -1    3   27 o  273.973   9.0005  509.091   33.416  509.091   33.416   0.0000   0.0000  273.973   9.0005  ?   ?       ?      ? 
1 1 1   -1    3   28 f  320.356   9.6446  696.081   41.870  696.081   41.870   0.0000   0.0000  320.356   9.6446  ?   ?       ?      ? 
1 1 1   -1    3   29 o  320.172   4.8222  694.618   20.918  678.686   29.248  711.300   29.929  316.416   6.8211  323.929   6.8180 -7.513489 9.644306 
1 1 1   -1    3   30 o  362.262   7.2723  889.629   35.701  889.629   35.701   0.0000   0.0000  362.262   7.2723  ?   ?       ?      ? 
1 1 1   -1    3   31 o  457.100   7.2940  1433.16   42.915  1470.59   53.339  1364.45   72.263  465.730   8.4514  448.471   11.891 17.25940 14.58807 
1 1 1   -1    3   32 o  403.673   7.7353  1105.23   42.314  1100.43   59.818  1110.04   59.865  402.795   10.959  404.551   10.920 -1.755768 15.47057 
1 1 1   -1    3   33 o  738.889   12.214  3707.31  122.281  3639.48  171.094  3778.14  174.830  731.985   17.248  745.794   17.299 -13.80847 24.42859 
1 1 1   -1    3   34 o  793.822   13.055  4275.83  140.443  4275.83  140.443   0.0000   0.0000  793.822   13.055  ?   ?       ?      ? 
1 1 1   -1    3   35 o  484.847   6.2269  1593.83   40.912  1588.24   57.675  1599.49   58.044  483.992   8.7936  485.703   8.8187 -1.710236 12.45377 
1 1 1   -1    3   36 o  439.145   5.8328  1307.29   34.708  1328.96   49.399  1286.15   48.777  442.741   8.2335  435.550   8.2641 7.191528 11.66559 
1 1 1   -1    3   37 f  612.929   7.4226  2548.04   61.652  2566.18   87.451  2530.12   86.929  615.098   10.491  610.760   10.503 4.337402 14.84528 
1 1 1   -1    3   38 o  570.918   9.9603  2210.69   77.060  2210.69   77.060   0.0000   0.0000  570.918   9.9603  ?   ?       ?      ? 
1 1 1   -1    3   39 o  961.523   10.941  6275.35  142.503  6109.48  198.018  6453.53  205.234  948.365   15.408  974.682   15.538 -26.31702 21.88256 
1 1 1   -1    3   40 o  719.619   10.377  3488.51   94.901  3600.71  167.346  3435.32  115.220  727.779   16.968  711.460   11.951 16.31830 20.75414 
1 1 1   -1    3   41 o  364.276   5.2714  898.894   26.009  937.698   37.400  862.552   36.194  371.883   7.4213  356.669   7.4884 15.21442 10.54286 
1 1 1   -1    3   42 o  649.718   7.8056  2863.49   68.707  2934.10   98.499  2796.58   95.886  657.513   11.055  641.923   11.023 15.59045 15.61110 
1 1 1   -1    3   43 o  784.504   9.1648  4178.95   97.419  4118.95  136.425  4241.38  139.158  778.764   12.927  790.244   12.995 -11.47943 18.32958 
1 1 1   -1    3   44 o  441.224   8.3408  1320.48   49.871  1320.48   49.871   0.0000   0.0000  441.224   8.3408  ?   ?       ?      ? 
1 1 1   -1    3   45 o  514.195   8.0549  1815.07   53.369  1730.30   89.680  1861.55   66.408  504.616   13.115  523.774   9.3561 -19.15784 16.10988 
1 1 1   -1    3   46 o  333.667   5.0806  755.029   22.971  749.984   32.298  760.194   32.678  332.540   7.1673  334.794   7.2027 -2.254303 10.16113 
1 1 1   -1    3   47 o  358.101   7.4237  869.869   36.025  869.869   36.025   0.0000   0.0000  358.101   7.4237  ?   ?       ?      ? 
1 1 1   -1    3   48 o  256.597   4.6171  446.497   16.054  439.760   22.565  453.402   22.844  254.637   6.5394  258.557   6.5197 -3.920273 9.234174 
1 1 1   -1    3   49 o  252.698   4.6155  432.986   15.802  422.266   22.131  444.137   22.572  249.507   6.5454  255.889   6.5092 -6.381683 9.231016 
1 1 1   -1    3   50 o  476.489   6.2499  1541.59   40.354  1532.99   56.691  1550.41   57.454  475.147   8.8045  477.831   8.8729 -2.684631 12.49988 
1 1 1   -1    3   51 o  347.707   7.3582  820.529   34.671  820.529   34.671   0.0000   0.0000  347.707   7.3582  ?   ?       ?      ? 
1 1 1   -1    3   52 o  216.136   4.5146  316.871   13.221  311.792   18.515  322.155   18.885  214.370   6.3735  217.902   6.3955 -3.532333 9.029103 
1 1 1   -1    3   53 o  402.396   7.9735  1099.65   43.479  1099.65   43.479   0.0000   0.0000  402.396   7.9735  ?   ?       ?      ? 
1 1 1   -1    3   54 f  660.487   11.287  2970.53  101.021  2970.53  101.021   0.0000   0.0000  660.487   11.287  ?   ?       ?      ? 
1 1 1   -1    3   55 o  437.195   5.9551  1298.70   35.278  1282.52   49.447  1315.47   50.346  434.426   8.3993  439.964   8.4443 -5.538208 11.91022 
1 1 1   -1    3   56 o  143.694   5.5515  135.045   10.190  155.862   18.207  125.549   12.297  151.401   8.8742  135.987   6.6728 15.41348 11.10305 
1 1 1   -1    3   57 o  159.692   9.3063  173.507   20.139  173.507   20.139   0.0000   0.0000  159.692   9.3063  ?   ?       ?      ? 
1 1 1   -1    3   58 o  262.202   5.7444  455.632   19.239  502.293   34.075  433.796   23.310  271.677   9.2555  252.727   6.8064 18.94955 11.48875 
1 1 1   -1    3   59 o  198.606   5.8367  277.457   14.789  299.295   18.506  238.869   24.600  209.929   6.5051  187.282   9.6929 22.64771 11.67340 
1 1 1   -1    3   60 o  283.303   4.9246  545.388   18.904  548.378   26.568  542.322   26.903  284.097   6.9010  282.509   7.0273 1.587585 9.849249 
1 1 1   -1    3   61 o  194.298   9.0318  257.073   23.781  257.073   23.781   0.0000   0.0000  194.298   9.0318  ?   ?       ?      ? 
1 1 1   -1    3   62 o  133.126   4.7745  120.440   8.6119  120.221   12.285  120.652   12.076  133.003   6.8158  133.248   6.6879 -0.2458954 9.549004 
1 1 1   -1    3   63 o  142.850   4.7248  138.635   9.1422  144.583   13.059  132.917   12.803  145.859   6.6067  139.842   6.7561 6.017746 9.449518 
1 1 1   -1    3   64 o   95.206   5.5450   61.757   7.1445   58.380   10.139   65.087   10.069   92.605   8.0795   97.807   7.5967 -5.201462 11.09005 
1 1 1   -1    3   65 o  167.170   4.6927  190.006   10.629  193.851   15.027  186.157   15.037  168.868   6.5665  165.472   6.7057 3.396759 9.385385 
1 1 1   -1    3   66 o  226.726   5.9768  355.492   17.095  365.133   20.847  335.704   29.867  231.733   6.6387  221.718   9.9406 10.01547 11.95357 
1 1 1   -1    3   67 o  268.895   5.9416  472.869   20.271  439.455   24.302  549.291   36.752  254.145   7.0563  283.646   9.5614 -29.50101 11.88329 
1 1 1   -1    3   68 o  275.274   4.9526  515.281   18.463  541.466   26.460  490.434   25.775  282.099   6.9217  268.449   7.0853 13.64951 9.905102 
1 1 1   -1    3   69 o  165.615   4.7892  186.608   10.745  192.987   15.293  180.387   15.102  168.417   6.7006  162.812   6.8447 5.605148 9.578467 
1 1 1   -1    3   70 o  178.906   4.7423  217.790   11.496  221.538   16.400  214.169   16.119  180.419   6.7078  177.393   6.7053 3.025543 9.484533 
1 1 1   -1    3   71 o  123.010   5.2255  103.353   8.6911   97.684   12.468  108.712   12.122  119.692   7.6866  126.328   7.0810 -6.635651 10.45100 
1 1 1   -1    3   72 o  105.131   6.8040   74.408   9.1411   79.571   16.061   71.935   11.117  107.608   11.014  102.654   7.9917 4.953377 13.60797 
1 1 1   -1    3   73 o  187.184   4.8084  238.818   12.197  240.561   17.289  237.090   17.209  187.866   6.7912  186.503   6.8089 1.363205 9.616733 
1 1 1   -1    3   74 o  163.567   4.8491  182.486   10.747  186.192   15.274  178.852   15.124  165.217   6.8221  161.917   6.8930 3.300430 9.698164 
1 1 1   -1    3   75 f  182.264   5.8771  229.627   13.733  221.127   23.360  234.116   16.977  179.326   9.6127  185.203   6.7642 -5.877167 11.75414 
1 1 1   -1    3   76 o  112.460   6.5835   86.305   9.5123   89.324   16.402   84.775   11.677  113.664   10.648  111.257   7.7447 2.406746 13.16701 
1 1 1   -1    3   77 o   79.681   6.4943   43.717   6.9774   49.791   10.063   38.094   9.6829   85.072   8.7291   74.291   9.6181 10.78096 12.98868 
1 1 1   -1    3   78 o  116.832   5.2797   93.647   8.3522   98.758   11.899   88.683   11.727  120.003   7.3168  113.661   7.6136 6.342148 10.55944 
1 1 1   -1    3   79 f  149.089   5.0126  152.655   10.095  168.257   14.397  137.563   14.160  156.670   6.7811  141.509   7.3839 15.16078 10.02520 
1 1 1   -1    3   80 o  155.533   6.3113  170.781   12.303  176.449   14.965  158.960   21.611  160.290   6.8893  150.776   10.577 9.514404 12.62256 
1 1 1   -1    3   81 o   98.837   7.0161   68.936   8.7541   70.186   10.673   66.367   15.301  100.794   7.8142   96.879   11.655 3.914528 14.03228 
1 1 1   -1    3   82 o  117.853   5.3312   96.007   8.5108   95.185   11.848   96.884   12.233  117.359   7.4498  118.346   7.6280 -0.9869995 10.66242 
1 1 1   -1    3   83 o  100.901   5.6251   70.765   7.6862   73.679   10.869   67.851   10.871  103.032   7.7845   98.769   8.1220 4.262505 11.25012 
1 1 1   -1    3   84 o   87.053   6.0346   52.927   7.1034   48.281   9.8431   57.976   10.261   83.003   8.7509   91.103   8.3118 -8.100380 12.06913 
1 1 1   -1    3   85 o   76.538   6.7078   41.529   6.9169   47.054   9.8755   36.209   9.6910   81.734   8.9161   71.342   10.024 10.39171 13.41553 
1 1 1   -1    3   86 o   99.878   7.1579   74.635   9.0488   60.104   14.797   83.315   11.436   90.645   12.047  109.112   7.7345 -18.46754 14.31576 
1 1 1   -1    3   87 f   73.415   6.5648   38.267   6.5112   34.361   8.9533   42.652   9.4861   69.357   9.5259   77.474   9.0355 -8.116280 13.12952 
1 1 1   -1    3   88 o   42.317   8.7959   13.575   6.7339  -3.2992   11.141   23.287   8.4525   29.221   13.202   55.412   11.627 -26.19089 17.59189 
1 1 1   -1    3   89 o   54.469   9.0980   25.222   7.0011   12.383   11.567   32.644   8.7951   41.641   15.430   67.298   9.6440 -25.65731 18.19603 
1 1 1   -1    3   90 o   48.342   9.8492   19.346   6.9281   13.798   11.597   22.425   8.6391   42.849   15.519   53.835   12.132 -10.98556 19.69835 
1 1 1   -1    3   91 o   75.143   8.7165   43.092   8.1850   43.143   13.866   43.065   10.140   73.307   14.471   76.979   9.7206 -3.671921 17.43301 
1 1 1   -1    3   92 o   84.096   9.6573   55.239   10.566   43.255   14.402   69.209   15.549   72.573   15.134   95.619   12.000 -23.04684 19.31451 
1 1 1   -1    3   93 o   35.705   14.675   6.7453   11.404   6.7453   11.404   0.0000   0.0000   35.705   14.675  ?   ?       ?      ? 
1 1 1   -1    3   94 o   36.757   15.055   7.9175   11.949   7.9175   11.949   0.0000   0.0000   36.757   15.055  ?   ?       ?      ? 
1 1 1   -1    3   95 o   57.920   16.615   30.389   13.720   30.389   13.720   0.0000   0.0000   57.920   16.615  ?   ?       ?      ? 
1 1 1   -1    4    1 o  421.177   6.8139  1216.79   36.936  1156.58   62.183  1249.60   45.913  412.992   11.111  429.363   7.8909 -16.37045 13.62786 
1 1 1   -1    4    2 o  563.336   8.3973  2159.51   60.628  2129.50  103.970  2174.97   74.630  560.277   13.694  566.395   9.7232 -6.118103 16.79465 
1 1 1   -1    4    3 f  788.917   12.874  4221.62  137.630   0.0000   0.0000  4221.62  137.630  ?   ?   788.917   12.874      ?      ? 
1 1 1   -1    4    4 o  1248.38   19.637 10586.32  332.201   0.0000   0.0000 10586.32  332.201  ?   ?   1248.38   19.637      ?      ? 
1 1 1   -1    4    5 o  690.928   11.469  3237.43  107.382   0.0000   0.0000  3237.43  107.382  ?   ?   690.928   11.469      ?      ? 
1 1 1   -1    4    6 o  761.088   10.780  3889.70  104.029  3816.12  125.925  4047.85  184.615  750.078   12.389  772.098   17.645 -22.01996 21.55948 
1 1 1   -1    4    7 o  785.661   18.126  4192.14  192.984   0.0000   0.0000  4192.14  192.984  ?   ?   785.661   18.126      ?      ? 
1 1 1   -1    4    8 o  259.850   8.4866  457.752   29.884   0.0000   0.0000  457.752   29.884  ?   ?   259.850   8.4866      ?      ? 
1 1 1   -1    4    9 o  521.669   7.8989  1820.69   52.281  1776.38   63.241  1916.33   92.919  511.862   9.1173  531.474   12.901 -19.61200 15.79782 
1 1 1   -1    4   11 o  390.861   5.3160  1035.58   28.156  1026.97   39.648  1044.34   39.993  389.221   7.5169  392.500   7.5190 -3.278137 10.63198 
1 1 1   -1    4   12 o  666.081   15.793  3013.04  142.555   0.0000   0.0000  3013.04  142.555  ?   ?   666.081   15.793      ?      ? 
1 1 1   -1    4   13 o  624.097   14.971  2645.09  126.612   0.0000   0.0000  2645.09  126.612  ?   ?   624.097   14.971      ?      ? 
1 1 1   -1    4   17 o  753.305   8.7600  3853.27   89.425  3857.32  126.497  3849.23  126.435  753.701   12.385  752.910   12.392 0.7913818 17.52006 
1 1 1   -1    4   19 o  566.712   8.4824  2189.01   61.624  2156.00  105.576  2206.06   75.895  563.252   13.832  570.173   9.8225 -6.921265 16.96471 
1 1 1   -1    4   20 o  403.908   6.6867  1121.32   34.770  1059.84   58.403  1155.08   43.275  395.125   10.907  412.690   7.7381 -17.56500 13.37345 
1 1 1   -1    4   21 o  253.298   4.3138  434.981   14.807  434.594   20.920  435.370   20.961  253.185   6.0975  253.411   6.1038 -0.2259979 8.627586 
1 1 1   -1    4   24 o  577.535   7.0504  2262.95   55.179  2253.17   77.822  2272.84   78.249  576.281   9.9652  578.790   9.9764 -2.509033 14.10085 
1 1 1   -1    4   25 o  704.097   16.624  3370.37  158.615  3370.37  158.615   0.0000   0.0000  704.097   16.624  ?   ?       ?      ? 
1 1 1   -1    4   26 o  718.563   10.402  3552.82   96.402  3352.91  161.200  3664.13  120.281  702.342   16.937  734.784   12.080 -32.44183 20.80332 
1 1 1   -1    4   27 o  711.288   11.804  3436.42  113.759  3502.36  162.816  3373.53  159.011  717.947   16.735  704.629   16.653 13.31830 23.60867 
1 1 1   -1    4   28 o  742.026   17.320  3741.05  174.158  3741.05  174.158   0.0000   0.0000  742.026   17.320  ?   ?       ?      ? 
1 1 1   -1    4   30 o  752.119   8.7843  3837.83   89.531  3862.47  127.009  3813.49  126.225  754.519   12.422  749.719   12.424 4.800293 17.56865 
1 1 1   -1    4   31 o  623.217   7.5075  2633.80   63.399  2603.77   88.992  2664.74   90.344  619.612   10.599  626.823   10.636 -7.210876 15.01504 
1 1 1   -1    4   32 o  367.433   6.4498  912.294   30.089  906.575   36.573  924.272   52.928  365.701   7.3799  369.164   10.580 -3.463287 12.89962 
1 1 1   -1    4   33 o  586.636   8.7748  2354.21   66.189  2397.85   82.006  2272.63  112.113  594.627   10.177  578.644   14.297 15.98230 17.54961 
1 1 1   -1    4   34 o  613.125   7.4474  2548.94   61.868  2514.11   86.558  2585.31   88.462  608.847   10.491  617.403   10.573 -8.556030 14.89477 
1 1 1   -1    4   35 o  678.465   8.0611  3122.56   74.114  3113.14  104.502  3132.10  105.127  677.437   11.383  679.494   11.417 -2.057007 16.12225 
1 1 1   -1    4   36 o  560.268   9.7924  2128.83   74.348  2128.83   74.348   0.0000   0.0000  560.268   9.7924  ?   ?       ?      ? 
1 1 1   -1    4   37 o  356.904   5.1838  863.240   25.067  844.895   35.053  882.438   35.860  353.025   7.3273  360.783   7.3347 -7.757904 10.36757 
1 1 1   -1    4   38 o  248.391   4.5108  418.146   15.182  409.542   21.310  427.014   21.634  245.796   6.3977  250.986   6.3607 -5.189270 9.021629 
1 1 1   -1    4   39 o  500.406   7.8387  1698.56   50.169  1700.84   86.724  1697.41   61.505  500.540   12.786  500.273   9.0724 0.2672119 15.67737 
1 1 1   -1    4   40 o  205.005   5.4014  289.064   14.158  272.372   24.102  297.857   17.494  200.396   8.8753  209.615   6.1586 -9.219742 10.80277 
1 1 1   -1    4   41 o  434.203   5.8327  1278.49   34.318  1265.85   48.250  1291.44   48.820  432.030   8.2415  436.375   8.2558 -4.345245 11.66532 
1 1 1   -1    4   42 o  598.204   7.3337  2423.93   59.393  2323.90   81.853  2535.16   86.313  585.198   10.322  611.210   10.421 -26.01184 14.66731 
1 1 1   -1    4   43 o  490.749   12.684  1635.89   84.355  1635.89   84.355   0.0000   0.0000  490.749   12.684  ?   ?       ?      ? 
1 1 1   -1    4   45 o  769.103   12.718  4020.07  132.548  4020.07  132.548   0.0000   0.0000  769.103   12.718  ?   ?       ?      ? 
1 1 1   -1    4   46 o  483.882   6.2925  1588.93   41.259  1575.94   57.972  1602.25   58.734  481.881   8.8776  485.884   8.9202 -4.002411 12.58502 
1 1 1   -1    4   47 o  917.618   10.525  5734.20  130.878  5730.74  184.887  5737.67  185.293  917.345   14.873  917.892   14.897 -0.5468750 21.05006 
1 1 1   -1    4   48 o  374.691   5.4063  952.670   27.451  955.249   38.799  950.085   38.844  375.200   7.6309  374.182   7.6605 1.017670 10.81265 
1 1 1   -1    4   49 o  391.610   6.8402  1036.03   33.946  1025.67   41.157  1058.08   60.033  388.740   7.8127  394.479   11.230 -5.738312 13.68043 
1 1 1   -1    4   50 o  309.134   6.9662  648.466   29.183  648.466   29.183   0.0000   0.0000  309.134   6.9662  ?   ?       ?      ? 
1 1 1   -1    4   51 o  191.349   5.3938  253.530   13.253  265.235   16.525  232.431   22.185  197.727   6.1673  184.972   8.8508 12.75453 10.78757 
1 1 1   -1    4   52 o  208.582   4.4976  295.212   12.712  294.783   17.887  295.650   18.071  208.430   6.3326  208.734   6.3885 -0.3036804 8.995292 
1 1 1   -1    4   53 o  227.670   4.5539  351.637   14.043  367.478   20.059  336.412   19.666  232.701   6.3612  222.639   6.5183 10.06181 9.107836 
1 1 1   -1    4   54 o  306.933   4.9635  639.502   20.643  653.419   29.412  625.992   28.979  310.225   6.9963  303.640   7.0427 6.584808 9.927092 
1 1 1   -1    4   55 o  219.691   4.5715  327.268   13.595  349.427   19.556  306.539   18.914  226.887   6.3603  212.495   6.5682 14.39211 9.143060 
1 1 1   -1    4   56 o  169.542   4.5371  195.023   10.420  202.559   14.932  187.869   14.548  172.734   6.3789  166.349   6.4537 6.385422 9.074159 
1 1 1   -1    4   57 o  227.749   5.6728  353.232   16.477  350.720   28.579  354.483   20.165  227.015   9.2900  228.483   6.5129 -1.468079 11.34555 
1 1 1   -1    4   58 o  309.299   7.1076  649.972   29.791  649.972   29.791   0.0000   0.0000  309.299   7.1076  ?   ?       ?      ? 
1 1 1   -1    4   59 o  378.422   6.7143  964.625   32.418  1006.95   56.859  944.242   39.459  384.190   10.921  372.654   7.8138 11.53638 13.42868 
1 1 1   -1    4   60 o  400.926   11.366  1097.69   61.755  1097.69   61.755   0.0000   0.0000  400.926   11.366  ?   ?       ?      ? 
1 1 1   -1    4   61 f  209.783   4.6409  298.942   13.192  304.606   18.823  293.474   18.492  211.735   6.5603  207.830   6.5661 3.905563 9.281711 
1 1 1   -1    4   62 o  206.501   5.5890  281.100   14.761  317.288   26.198  264.268   17.867  215.810   8.9580  197.192   6.6861 18.61830 11.17803 
1 1 1   -1    4   63 o  403.283   8.1757  1112.65   44.674  1126.57   62.937  1098.51   63.424  405.865   11.443  400.701   11.680 5.163879 16.35150 
1 1 1   -1    4   64 o  289.246   6.2232  569.464   22.812  568.172   27.717  572.177   40.163  289.034   7.0764  289.459   10.239 -0.4247131 12.44646 
1 1 1   -1    4   65 o  133.025   6.1576  115.173   10.376  106.264   12.407  135.903   18.925  124.968   7.3264  141.081   9.8989 -16.11285 12.31523 
1 1 1   -1    4   66 o  171.099   4.8267  199.120   11.186  207.061   15.896  191.330   15.745  174.488   6.7226  167.709   6.9279 6.778381 9.653465 
1 1 1   -1    4   67 o  323.359   6.3645  721.118   26.460  738.792   32.846  688.443   44.661  329.437   7.3574  317.281   10.387 12.15607 12.72894 
1 1 1   -1    4   68 o  295.606   7.1340  594.824   28.578  594.824   28.578   0.0000   0.0000  295.606   7.1340  ?   ?       ?      ? 
1 1 1   -1    4   69 o  162.234   4.8618  179.042   10.663  196.445   15.312  162.654   14.859  169.908   6.6500  154.560   7.0941 15.34770 9.723664 
1 1 1   -1    4   70 o  204.883   4.7573  285.734   13.207  290.999   18.784  280.587   18.574  206.752   6.7042  203.013   6.7513 3.739227 9.514555 
1 1 1   -1    4   71 o  205.949   4.8214  287.961   13.416  321.333   19.540  258.204   18.451  217.228   6.6380  194.670   6.9943 22.55743 9.642758 
1 1 1   -1    4   72 o  192.664   5.9587  257.369   14.600  242.937   25.104  264.746   17.948  188.215   9.8427  197.113   6.7191 -8.897903 11.91745 
1 1 1   -1    4   73 f  262.974   7.1939  471.947   25.637  471.947   25.637   0.0000   0.0000  262.974   7.1939  ?   ?       ?      ? 
1 1 1   -1    4   74 o  220.874   6.0011  341.829   16.945  310.122   28.499  359.168   21.075  212.328   9.9046  229.419   6.7788 -17.09033 12.00220 
1 1 1   -1    4   75 o   77.843   6.7455   42.111   6.9642   31.960   9.7458   52.703   9.9554   68.023   10.572   87.662   8.3804 -19.63873 13.49098 
1 1 1   -1    4   76 o  208.424   6.8881  297.051   19.455  297.051   19.455   0.0000   0.0000  208.424   6.8881  ?   ?       ?      ? 
1 1 1   -1    4   77 o  169.820   4.9319  197.277   11.337  210.758   16.291  184.617   15.787  175.472   6.8509  164.169   7.0964 11.30298 9.863731 
1 1 1   -1    4   78 o  171.650   6.8781  201.944   15.999  201.944   15.999   0.0000   0.0000  171.650   6.8781  ?   ?       ?      ? 
1 1 1   -1    4   79 o   78.963   9.3151   52.362   8.4082   64.994   10.353   27.880   14.412   97.120   7.8661   60.806   16.888 36.31339 18.63019 
1 1 1   -1    4   80 o  201.605   4.8891  278.664   13.288  320.197   19.326  241.422   18.300  215.941   6.6041  187.268   7.2111 28.67339 9.778244 
1 1 1   -1    4   81 o   32.631   9.2174   1.7028   6.2386  -3.1892   7.7869   10.470   10.425   24.711   11.112   40.551   14.709 -15.83951 18.43483 
1 1 1   -1    4   82 o   70.454   8.6802   37.692   7.5340   41.309   9.3906   31.159   12.621   76.887   9.0128   64.022   14.838 12.86420 17.36042 
1 1 1   -1    4   83 o  124.816   5.2390  108.078   8.8112   93.685   12.272  123.392   12.658  116.080   7.8017  133.553   6.9943 -17.47295 10.47797 
1 1 1   -1    4   84 o   86.416   6.0877   52.340   7.1248   54.876   10.237   49.957   9.9225   88.468   8.5387   84.363   8.6793 4.105034 12.17533 
1 1 1   -1    4   85 o   37.729   9.2407   9.7911   5.8148   12.054   8.3058   7.6163   8.1433   40.533   13.190   34.926   12.946 5.606747 18.48133 
1 1 1   -1    4   86 o   65.330   10.120   30.630   8.9589   0.0000   0.0000   30.630   8.9589  ?   ?    65.330   10.120      ?      ? 
1 1 1   -1    4   87 o   45.873   10.044   15.650   6.5419   18.724   11.597   14.215   7.9226   48.646   15.563   43.100   12.702 5.546524 20.08852 
1 1 1   -1    4   88 o   59.851   9.4362   26.356   7.1308   33.869   12.481   22.715   8.6884   65.292   14.486   54.410   12.097 10.88231 18.87233 
1 1 1   -1    4   89 o   56.631   9.9597   24.868   7.3241   28.358   12.546   23.063   9.0209   58.767   15.522   54.496   12.483 4.270992 19.91935 
1 1 1   -1    4   90 o   46.846   11.225   17.532   8.9205   23.684   12.093   10.189   13.212   53.413   15.680   40.278   16.068 13.13579 22.45093 
1 1 1   -1    4   91 o   32.774   13.947   3.2629   10.854   3.2629   10.854   0.0000   0.0000   32.774   13.947  ?   ?       ?      ? 
1 1 1   -1    4   92 o   29.474   13.689  -6.5167   13.140   0.0000   0.0000  -6.5167   13.140  ?   ?    29.474   13.689      ?      ? 
1 1 1   -1    4   93 o   33.149   9.7432  -5.2128   8.7608 -24.5227   12.061   16.354   12.746   21.657   10.748   44.641   16.254 -22.98378 19.48637 
1 1 1   -1    4   94 o   65.101   15.855   36.875   13.857   36.875   13.857   0.0000   0.0000   65.101   15.855  ?   ?       ?      ? 
1 1 1   -1    4   95 o   41.409   15.932   13.889   12.597   13.889   12.597   0.0000   0.0000   41.409   15.932  ?   ?       ?      ? 
1 1 1   -1    4   96 o   52.658   17.405   26.995   14.442   26.995   14.442   0.0000   0.0000   52.658   17.405  ?   ?       ?      ? 
1 1 1   -1    4   97 o   41.042   16.179   14.797   13.246   14.797   13.246   0.0000   0.0000   41.042   16.179  ?   ?       ?      ? 
1 1 1   -1    5    1 o  980.072   11.079  6520.86  147.115  6411.58  205.702  6635.27  210.484  971.676   15.622  988.468   15.714 -16.79169 22.15762 
1 1 1   -1    5    2 o  668.461   7.9024  3030.81   71.580  3066.85  101.858  2995.64  100.613  672.387   11.179  664.535   11.173 7.852112 15.80479 
1 1 1   -1    5    3 o  736.553   8.5910  3680.86   85.748  3703.95  121.674  3658.07  120.862  738.847   12.152  734.258   12.147 4.589294 17.18202 
1 1 1   -1    5    4 o  280.809   4.4693  534.316   17.004  523.180   23.800  545.929   24.304  277.821   6.3216  283.797   6.3195 -5.976135 8.938577 
1 1 1   -1    5    5 o  256.263   4.3006  445.030   14.933  436.311   20.953  454.029   21.287  253.712   6.0943  258.813   6.0695 -5.100479 8.601152 
1 1 1   -1    5    6 o  203.966   3.9985  281.984   11.052  284.512   15.622  279.452   15.636  204.882   5.6268  203.051   5.6827 1.830856 7.997057 
1 1 1   -1    5    7 o  535.889   7.7122  1988.16   49.151  2033.62   57.496  1864.76   94.730  547.670   7.7471  524.108   13.338 23.56189 15.42446 
1 1 1   -1    5    8 o  585.022   8.1937  2320.73   64.959  2320.73   64.959   0.0000   0.0000  585.022   8.1937  ?   ?       ?      ? 
1 1 1   -1    5    9 o  454.931   6.8161  1403.08   42.021  1403.08   42.021   0.0000   0.0000  454.931   6.8161  ?   ?       ?      ? 
1 1 1   -1    5   10 o  497.592   7.6698  1673.86   48.675  1661.79   59.411  1698.50   84.892  494.995   8.8570  500.190   12.524 -5.194824 15.33957 
1 1 1   -1    5   11 o  400.019   5.4056  1085.02   29.302  1091.67   41.533  1078.43   41.346  401.239   7.6386  398.798   7.6507 2.441040 10.81116 
1 1 1   -1    5   13 o  310.616   4.6944  653.889   19.755  674.560   28.230  634.052   27.655  315.426   6.6044  305.806   6.6734 9.619629 9.388883 
1 1 1   -1    5   14 o  243.722   5.9939  402.696   19.796  402.696   19.796   0.0000   0.0000  243.722   5.9939  ?   ?       ?      ? 
1 1 1   -1    5   15 o  253.062   5.2738  440.365   17.175  414.417   28.839  454.625   21.380  247.168   8.6102  258.956   6.0925 -11.78745 10.54766 
1 1 1   -1    5   16 o  570.647   8.5265  2215.47   62.341  2199.21  107.138  2223.79   76.653  568.846   13.898  572.448   9.8813 -3.601929 17.05300 
1 1 1   -1    5   17 o  427.933   6.8960  1236.23   37.691  1261.89   65.644  1223.61   46.036  431.123   11.236  424.742   7.9981 6.380951 13.79193 
1 1 1   -1    5   18 o  330.546   4.8612  740.842   21.775  737.226   30.697  744.505   30.892  329.735   6.8698  331.358   6.8797 -1.623413 9.722398 
1 1 1   -1    5   19 o  720.390   8.4561  3523.42   82.545  3484.44  115.884  3563.56  117.606  716.348   11.938  724.431   11.980 -8.082642 16.91220 
1 1 1   -1    5   20 o  447.121   5.8488  1355.84   35.438  1346.26   49.923  1365.57   50.311  445.529   8.2688  448.712   8.2740 -3.182617 11.69757 
1 1 1   -1    5   22 o  521.588   9.2641  1834.56   65.244  2006.40   97.397  1694.68   87.875  543.583   13.222  499.593   12.980 43.98914 18.52819 
1 1 1   -1    5   23 o  497.499   12.561  1680.01   84.682   0.0000   0.0000  1680.01   84.682  ?   ?   497.499   12.561      ?      ? 
1 1 1   -1    5   24 o  673.704   7.9924  3079.36   72.967  3087.22  103.371  3071.56  103.012  674.560   11.308  672.847   11.298 1.712646 15.98483 
1 1 1   -1    5   25 o  449.866   8.3659  1372.17   51.001   0.0000   0.0000  1372.17   51.001  ?   ?   449.866   8.3659      ?      ? 
1 1 1   -1    5   26 o  711.873   8.3827  3437.28   80.858  3385.33  113.333  3491.13  115.395  706.398   11.839  717.349   11.871 -10.95068 16.76542 
1 1 1   -1    5   27 o  1266.40   14.105 10903.44  242.046 10815.18  340.328 10993.78  344.315  1261.22   19.912  1271.58   19.982 -10.35583 28.20933 
1 1 1   -1    5   28 o  889.263   14.444  5367.62  174.063  5367.62  174.063   0.0000   0.0000  889.263   14.444  ?   ?       ?      ? 
1 1 1   -1    5   29 o  508.475   7.9177  1740.33   51.038  1716.46   61.842  1791.29   90.380  503.143   9.0700  513.807   12.980 -10.66440 15.83534 
1 1 1   -1    5   30 o  560.279   8.4734  2084.75   59.693  2013.56   71.482  2248.79  108.507  544.923   9.6800  575.634   13.910 -30.71021 16.94682 
1 1 1   -1    5   31 o  730.773   8.5932  3617.64   85.030  3488.56  117.434  3759.88  123.281  717.097   12.085  744.450   12.220 -27.35242 17.18641 
1 1 1   -1    5   32 o  863.545   12.133  5062.18  133.836  5055.30  163.852  5075.98  231.987  863.031   14.010  864.058   19.812 -1.027039 24.26553 
1 1 1   -1    5   33 o  837.844   19.300  4772.41  219.136   0.0000   0.0000  4772.41  219.136  ?   ?   837.844   19.300      ?      ? 
1 1 1   -1    5   34 o  242.762   4.4419  399.363   14.611  392.178   20.477  406.816   20.855  240.538   6.2819  244.986   6.2817 -4.447830 8.883826 
1 1 1   -1    5   35 o  549.758   6.8489  2049.79   51.024  2052.01   72.104  2047.56   72.213  550.058   9.6732  549.459   9.6983 0.5988159 13.69771 
1 1 1   -1    5   36 o  526.734   6.6364  1881.17   47.364  1849.11   66.308  1914.56   67.677  522.155   9.3709  531.314   9.3996 -9.158447 13.27281 
1 1 1   -1    5   37 f  579.066   7.1504  2274.28   56.105  2309.37   79.965  2240.26   78.739  583.464   10.113  574.667   10.111 8.797180 14.30085 
1 1 1   -1    5   38 o  741.953   8.7198  3735.86   87.659  3673.38  122.619  3801.18  125.363  735.613   12.301  748.293   12.363 -12.67987 17.43970 
1 1 1   -1    5   39 o  801.482   11.423  4384.38  117.334  4315.85  201.060  4419.77  144.490  796.255   18.633  806.709   13.217 -10.45483 22.84503 
1 1 1   -1    5   40 o  612.750   14.915  2551.93  123.848  2551.93  123.848   0.0000   0.0000  612.750   14.915  ?   ?       ?      ? 
1 1 1   -1    5   41 o  509.288   7.9891  1772.24   52.189  1724.91   89.035  1797.02   64.415  503.913   13.038  514.662   9.2360 -10.74973 15.97817 
1 1 1   -1    5   42 o  401.574   7.9203  1093.77   43.101  1093.77   43.101   0.0000   0.0000  401.574   7.9203  ?   ?       ?      ? 
1 1 1   -1    5   43 o  358.893   5.2808  873.510   25.681  886.682   36.519  860.622   36.123  361.570   7.4532  356.216   7.4831 5.354462 10.56159 
1 1 1   -1    5   44 o  549.227   9.7390  2047.69   72.485  2047.69   72.485   0.0000   0.0000  549.227   9.7390  ?   ?       ?      ? 
1 1 1   -1    5   45 o  270.265   4.7067  495.070   17.232  477.257   24.050  513.860   24.701  265.271   6.6903  275.258   6.6222 -9.987396 9.413420 
1 1 1   -1    5   46 o  309.809   4.9581  650.941   20.810  672.473   29.663  630.071   29.203  314.856   6.9522  304.762   7.0710 10.09412 9.916246 
1 1 1   -1    5   47 o  441.197   7.3744  1331.02   41.441  1347.57   50.772  1298.00   71.729  445.550   8.4091  436.844   12.117 8.706238 14.74878 
1 1 1   -1    5   48 o  251.865   4.6512  430.098   15.864  452.922   22.716  408.367   22.165  258.388   6.4874  245.342   6.6668 13.04640 9.302327 
1 1 1   -1    5   49 o  455.733   6.0638  1410.11   37.443  1386.23   52.416  1434.99   53.507  451.795   8.5613  459.670   8.5897 -7.874329 12.12765 
1 1 1   -1    5   50 o  273.027   4.7400  505.732   17.533  521.516   24.992  490.437   24.604  277.223   6.6527  268.830   6.7536 8.393433 9.479966 
1 1 1   -1    5   51 o  238.139   5.6008  393.647   17.152  414.492   21.467  356.840   28.525  247.146   6.4096  229.132   9.1867 18.01376 11.20168 
1 1 1   -1    5   52 o  259.347   6.6153  456.526   23.249  456.526   23.249   0.0000   0.0000  259.347   6.6153  ?   ?       ?      ? 
1 1 1   -1    5   53 o  275.612   4.7859  515.649   17.874  524.911   25.390  506.551   25.166  278.067   6.7379  273.156   6.7985 4.911102 9.571826 
1 1 1   -1    5   54 o  472.259   8.8239  1516.49   56.471  1516.49   56.471   0.0000   0.0000  472.259   8.8239  ?   ?       ?      ? 
1 1 1   -1    5   55 o  152.092   6.5489  157.058   13.498  157.058   13.498   0.0000   0.0000  152.092   6.5489  ?   ?       ?      ? 
1 1 1   -1    5   56 o  259.637   4.7622  457.453   16.744  434.542   23.351  481.704   24.024  252.943   6.8123  266.330   6.6564 -13.38701 9.524489 
1 1 1   -1    5   57 o  241.323   6.6192  395.535   21.647   0.0000   0.0000  395.535   21.647  ?   ?   241.323   6.6192      ?      ? 
1 1 1   -1    5   58 o  123.864   5.8272   99.669   9.2953  119.351   16.422   90.391   11.275  132.400   9.1530  115.327   7.2146 17.07213 11.65448 
1 1 1   -1    5   59 o  294.371   4.9757  587.548   19.822  548.103   27.348  631.202   28.770  283.978   7.1066  304.764   6.9662 -20.78619 9.951479 
1 1 1   -1    5   60 o  101.099   5.3684   69.385   7.3424   75.364   10.612   63.895   10.169  105.276   7.4386   96.921   7.7426 8.355042 10.73690 
1 1 1   -1    5   61 o  204.144   4.6356  283.055   12.819  294.393   18.339  272.223   17.926  208.144   6.5017  200.143   6.6092 8.000259 9.271139 
1 1 1   -1    5   62 o  192.247   4.6782  251.103   12.179  265.011   17.408  237.771   17.044  197.469   6.5055  187.026   6.7247 10.44301 9.356461 
1 1 1   -1    5   63 o  351.373   6.6618  835.359   29.614  823.466   35.822  861.035   52.632  347.861   7.5990  354.885   10.944 -7.023865 13.32359 
1 1 1   -1    5   64 o  332.208   5.2775  751.063   23.758  758.110   33.633  744.044   33.566  333.769   7.4359  330.647   7.4911 3.121582 10.55508 
1 1 1   -1    5   65 o  266.339   4.9652  482.058   17.909  460.022   24.891  505.712   25.788  260.028   7.0638  272.649   6.9797 -12.62100 9.930391 
1 1 1   -1    5   66 o  303.751   6.2147  628.754   24.265  631.128   41.522  627.523   29.903  303.868   10.083  303.634   7.2673 0.2336731 12.42935 
1 1 1   -1    5   67 o  271.265   9.8136  502.956   36.075  502.956   36.075   0.0000   0.0000  271.265   9.8136  ?   ?       ?      ? 
1 1 1   -1    5   68 o  277.438   7.0905  524.077   26.658  524.077   26.658   0.0000   0.0000  277.438   7.0905  ?   ?       ?      ? 
1 1 1   -1    5   69 o  131.206   5.1912  117.006   9.1821  134.478   13.342  101.285   12.656  140.521   7.0065  121.891   7.6620 18.63016 10.38248 
1 1 1   -1    5   70 o  145.301   4.9743  143.914   9.7901  139.997   13.911  147.757   13.780  143.326   7.1623  147.275   6.9047 -3.948578 9.948572 
1 1 1   -1    5   71 o  185.874   4.8341  235.507   12.172  228.417   17.216  242.595   17.212  183.060   6.9398  188.689   6.7315 -5.629028 9.668192 
1 1 1   -1    5   72 o   99.242   8.1935   67.351   11.019   0.0000   0.0000   67.351   11.019  ?   ?    99.242   8.1935      ?      ? 
1 1 1   -1    5   73 o  179.562   6.1719  221.232   13.877  220.445   24.910  221.586   16.711  178.931   10.273  180.194   6.8434 -1.263062 12.34384 
1 1 1   -1    5   74 o   92.841   5.9752   59.135   7.4907   65.780   10.724   52.803   10.468   97.985   8.0760   87.697   8.8084 10.28712 11.95032 
1 1 1   -1    5   75 o  152.156   6.9834  158.331   14.399  158.331   14.399   0.0000   0.0000  152.156   6.9834  ?   ?       ?      ? 
1 1 1   -1    5   76 o   77.525   6.7683   41.730   7.0426   35.061   9.9207   48.506   9.9992   71.132   10.292   83.918   8.7929 -12.78577 13.53650 
1 1 1   -1    5   77 o   52.788   10.426   18.244   7.2813   14.340   8.6651   27.622   13.431   44.686   13.313   60.889   16.050 -16.20277 20.85288 
1 1 1   -1    5   78 o  101.764   5.6190   71.353   7.7370   66.241   10.838   76.665   11.049   98.001   8.1608  105.526   7.7262 -7.525146 11.23804 
1 1 1   -1    5   79 o   83.364   6.4739   48.725   7.0524   33.476   9.7240   65.648   10.244   69.175   10.373   97.552   7.7488 -28.37706 12.94783 
1 1 1   -1    5   80 o   96.152   5.7946   64.216   7.4880   74.654   10.715   54.252   10.468  103.955   7.6061   88.348   8.7439 15.60751 11.58916 
1 1 1   -1    5   81 o  149.438   5.0265  153.011   10.107  129.551   13.709  180.945   14.960  136.872   7.3913  162.005   6.8141 -25.13280 10.05299 
1 1 1   -1    5   82 o   95.500   6.6775   61.149   8.3250   53.817   10.249   75.371   14.274   87.764   8.6173  103.236   10.203 -15.47250 13.35503 
1 1 1   -1    5   83 f   65.744   7.4730   31.275   6.4452   26.452   9.0255   36.294   9.2070   59.787   11.558   71.701   9.4757 -11.91409 14.94592 
1 1 1   -1    5   84 o   70.339   6.9246   35.202   6.5926   33.218   9.3033   37.203   9.3434   68.256   10.058   72.422   9.5204 -4.165520 13.84926 
1 1 1   -1    5   85 o   63.674   9.0793   31.195   7.3059   28.190   12.363   32.807   9.0566   59.606   15.245   67.742   9.8657 -8.135410 18.15855 
1 1 1   -1    5   86 o   36.101   12.955   8.8648   8.0597   0.0000   0.0000   8.8648   8.0597  ?   ?    36.101   12.955      ?      ? 
1 1 1   -1    5   87 o   31.139   12.599   4.3074   8.2470   0.0000   0.0000   4.3074   8.2470  ?   ?    31.139   12.599      ?      ? 
1 1 1   -1    5   88 o   32.456   9.8238   2.3811   7.6955   2.2847   10.961   2.4748   10.807   32.473   13.922   32.439   13.864 0.3364944E-01 19.64760 
1 1 1   -1    5   89 o   31.455   14.133  -1.9682   12.565   0.0000   0.0000  -1.9682   12.565  ?   ?    31.455   14.133      ?      ? 
1 1 1   -1    5   90 o   35.504   10.555   4.5136   8.5201   1.4137   11.072   9.0146   13.341   31.721   13.797   39.286   15.978 -7.565472 21.11054 
1 1 1   -1    5   91 o   45.759   11.571   16.988   9.0334   17.114   11.889   16.815   13.894   45.783   15.791   45.735   16.918 0.4804993E-01 23.14273 
1 1 1   -1    5   92 o   35.072   10.180   3.4097   8.6026   14.125   11.874  -8.4285   12.481   42.440   15.652   27.704   13.020 14.73562 20.35929 
1 1 1   -1    5   93 o   55.244   10.852   24.420   9.6469   8.1441   12.918   44.939   14.505   37.485   15.534   73.002   15.158 -35.51749 21.70354 
1 1 1   -1    5   94 o   41.851   15.983   14.200   12.620   14.200   12.620   0.0000   0.0000   41.851   15.983  ?   ?       ?      ? 
1 1 1   -1    5   95 o   37.205   15.543   8.8299   13.084   8.8299   13.084   0.0000   0.0000   37.205   15.543  ?   ?       ?      ? 
1 1 1   -1    5   96 o   38.321   15.646   11.218   12.855   11.218   12.855   0.0000   0.0000   38.321   15.646  ?   ?       ?      ? 
1 1 1   -1    5   97 o   35.215   15.238   7.3661   13.367   7.3661   13.367   0.0000   0.0000   35.215   15.238  ?   ?       ?      ? 
1 1 1   -1    6    1 o  356.583   6.2128  855.590   28.115  843.103   34.093  882.131   49.705  352.617   7.1348  360.549   10.173 -7.931702 12.42561 
1 1 1   -1    6    2 o  317.610   6.7131  683.951   28.893  683.951   28.893   0.0000   0.0000  317.610   6.7131  ?   ?       ?      ? 
1 1 1   -1    6    3 o  469.118   8.5151  1492.72   54.132  1492.72   54.132   0.0000   0.0000  469.118   8.5151  ?   ?       ?      ? 
1 1 1   -1    6    4 o  583.414   10.028  2309.68   79.280  2309.68   79.280   0.0000   0.0000  583.414   10.028  ?   ?       ?      ? 
1 1 1   -1    6    5 o  251.988   5.2955  433.206   17.067  438.615   20.993  422.662   29.310  254.357   6.0904  249.618   8.6646 4.739746 10.59098 
1 1 1   -1    6    6 o  132.809   4.6785  118.333   7.9560  115.838   9.7171  123.406   13.858  130.722   5.4853  134.897   7.5806 -4.174362 9.357087 
1 1 1   -1    6    7 o  230.556   5.1051  358.887   15.045  355.770   18.397  365.179   26.143  229.082   5.9263  232.031   8.3142 -2.948746 10.21012 
1 1 1   -1    6    8 o  215.140   4.9961  311.977   13.749  308.237   16.811  319.532   23.895  213.231   5.8178  217.049   8.1238 -3.817307 9.992145 
1 1 1   -1    6    9 o  522.423   13.050  1854.22   92.390   0.0000   0.0000  1854.22   92.390  ?   ?   522.423   13.050      ?      ? 
1 1 1   -1    6   10 o  365.392   6.2968  904.191   29.386  901.073   35.951  910.468   51.012  364.520   7.2779  366.263   10.278 -1.742798 12.59356 
1 1 1   -1    6   11 o  104.149   4.5809   74.332   5.7018   75.238   6.6686   71.869   10.995  105.358   4.6708  102.939   7.8819 2.418083 9.161860 
1 1 1   -1    6   12 o  341.229   5.7502  798.172   23.177  807.135   26.930  772.567   45.515  345.051   5.7592  337.407   9.9545 7.644470 11.50050 
1 1 1   -1    6   13 o  482.993   6.1697  1582.50   40.382  1586.12   57.157  1578.89   57.060  483.545   8.7227  482.441   8.7278 1.103790 12.33939 
1 1 1   -1    6   14 o  486.440   6.1938  1605.15   40.829  1607.42   57.740  1602.88   57.741  486.785   8.7530  486.096   8.7656 0.6888428 12.38752 
1 1 1   -1    6   15 o  672.800   11.323  3072.80  103.236  3072.80  103.236   0.0000   0.0000  672.800   11.323  ?   ?       ?      ? 
1 1 1   -1    6   16 o  476.621   6.1197  1540.65   39.524  1524.70   55.562  1556.98   56.236  474.125   8.6477  479.116   8.6614 -4.991699 12.23936 
1 1 1   -1    6   17 o  307.976   9.3905  643.408   39.191   0.0000   0.0000  643.408   39.191  ?   ?   307.976   9.3905      ?      ? 
1 1 1   -1    6   18 f  366.261   7.2639  910.112   36.053  909.797   50.842  910.431   51.131  366.198   10.245  366.323   10.300 -0.1250610 14.52776 
1 1 1   -1    6   20 o  701.434   10.178  3361.56   91.549  3276.88  156.338  3405.75  112.938  694.414   16.614  708.453   11.764 -14.03931 20.35676 
1 1 1   -1    6   21 o  418.798   5.6274  1188.02   31.922  1148.85   44.346  1230.14   45.987  411.642   7.9497  425.955   7.9669 -14.31302 11.25476 
1 1 1   -1    6   22 o  456.148   5.9519  1410.55   36.788  1393.99   51.645  1427.61   52.417  453.431   8.4050  458.865   8.4295 -5.433807 11.90378 
1 1 1   -1    6   23 o  660.432   7.8700  2958.50   70.433  2942.02   99.218  2975.25  100.001  658.579   11.117  662.285   11.142 -3.706421 15.73992 
1 1 1   -1    6   24 o  437.004   8.2201  1294.72   48.679   0.0000   0.0000  1294.72   48.679  ?   ?   437.004   8.2201      ?      ? 
1 1 1   -1    6   25 o  469.443   8.6179  1494.14   54.824   0.0000   0.0000  1494.14   54.824  ?   ?   469.443   8.6179      ?      ? 
1 1 1   -1    6   26 o  1137.75   15.647  8530.59  221.657  8135.71  262.720  9506.00  412.912  1094.33   17.716  1181.17   25.797 -86.83606 31.29395 
1 1 1   -1    6   27 o  1010.93   14.046  6980.88  182.002  7052.08  224.264  6843.51  311.500  1019.07   16.240  1002.79   22.923 16.27948 28.09221 
1 1 1   -1    6   28 o  379.496   7.5422  976.281   38.787  976.281   38.787   0.0000   0.0000  379.496   7.5422  ?   ?       ?      ? 
1 1 1   -1    6   29 o  473.722   8.6907  1521.54   55.791   0.0000   0.0000  1521.54   55.791  ?   ?   473.722   8.6907      ?      ? 
1 1 1   -1    6   30 o  318.948   5.9517  691.828   24.342  696.318   29.975  683.133   41.714  320.505   6.9015  317.391   9.6985 3.114197 11.90343 
1 1 1   -1    6   31 o  249.677   5.4342  424.218   17.418  427.668   21.483  417.597   29.757  251.187   6.3111  248.168   8.8484 3.019165 10.86849 
1 1 1   -1    6   32 o  323.202   6.9884  708.120   30.608  708.120   30.608   0.0000   0.0000  323.202   6.9884  ?   ?       ?      ? 
1 1 1   -1    6   33 o  458.309   6.0458  1424.25   37.548  1435.07   53.255  1413.55   52.948  460.041   8.5424  456.577   8.5577 3.464325 12.09157 
1 1 1   -1    6   34 o  558.303   9.8050  2114.23   74.182  2114.23   74.182   0.0000   0.0000  558.303   9.8050  ?   ?       ?      ? 
1 1 1   -1    6   35 o  853.730   9.8372  4948.30  113.791  4868.57  159.233  5031.51  162.671  846.709   13.878  860.752   13.946 -14.04254 19.67437 
1 1 1   -1    6   36 o  629.618   7.6318  2688.34   65.095  2625.91   90.677  2754.73   93.505  622.083   10.756  637.153   10.829 -15.07013 15.26357 
1 1 1   -1    6   37 o  461.244   6.0817  1442.93   38.013  1441.49   53.711  1444.38   53.807  461.013   8.5974  461.475   8.6042 -0.4621887 12.16337 
1 1 1   -1    6   38 o  565.744   9.9730  2171.69   76.459   0.0000   0.0000  2171.69   76.459  ?   ?   565.744   9.9730      ?      ? 
1 1 1   -1    6   39 o  234.585   6.4384  373.097   20.467   0.0000   0.0000  373.097   20.467  ?   ?   234.585   6.4384      ?      ? 
1 1 1   -1    6   40 o  474.120   8.7917  1525.01   56.486  1525.01   56.486   0.0000   0.0000  474.120   8.7917  ?   ?       ?      ? 
1 1 1   -1    6   41 o  391.951   7.8028  1042.04   41.444  1042.04   41.444   0.0000   0.0000  391.951   7.8028  ?   ?       ?      ? 
1 1 1   -1    6   42 o  436.398   5.8909  1292.08   34.837  1302.12   49.406  1282.15   49.130  438.085   8.3222  434.711   8.3399 3.373901 11.78188 
1 1 1   -1    6   43 o  259.503   4.6596  456.227   16.376  435.537   22.773  478.381   23.565  253.415   6.6315  265.591   6.5476 -12.17516 9.319208 
1 1 1   -1    6   44 o  324.898   5.0526  715.558   22.238  692.938   30.977  739.610   31.943  319.603   7.1523  330.192   7.1387 -10.58856 10.10528 
1 1 1   -1    6   45 o  318.714   6.2221  689.920   25.152  690.462   30.598  688.791   44.164  319.018   7.0779  318.409   10.235 0.6087646 12.44422 
1 1 1   -1    6   46 o  264.560   4.7062  473.806   16.852  444.638   23.263  506.020   24.447  256.008   6.7054  273.113   6.6054 -17.10513 9.412402 
1 1 1   -1    6   47 o  203.984   4.4920  282.240   12.415  275.328   17.454  289.320   17.664  201.455   6.3933  206.514   6.3118 -5.058823 8.984042 
1 1 1   -1    6   48 o  289.807   4.8545  569.742   19.061  553.445   26.682  586.727   27.239  285.574   6.8947  294.040   6.8359 -8.465332 9.709089 
1 1 1   -1    6   49 o  378.721   5.4594  973.425   28.011  1002.79   40.100  945.446   39.145  384.298   7.7001  373.144   7.7413 11.15332 10.91870 
1 1 1   -1    6   50 o  130.196   5.3927  110.715   9.1714   99.857   11.320  131.456   15.645  121.288   6.8875  139.104   8.2997 -17.81616 10.78533 
1 1 1   -1    6   51 o  257.600   5.8407  469.000   19.374  523.429   24.794  383.671   31.045  277.693   6.5888  237.506   9.6458 40.18732 11.68133 
1 1 1   -1    6   52 o  239.992   6.5490  390.988   21.299  390.988   21.299   0.0000   0.0000  239.992   6.5490  ?   ?       ?      ? 
1 1 1   -1    6   53 o  239.243   4.6374  388.582   15.033  381.951   21.187  395.306   21.335  237.185   6.5916  241.301   6.5246 -4.115845 9.274706 
1 1 1   -1    6   54 o  423.945   8.2717  1221.93   47.521  1221.93   47.521   0.0000   0.0000  423.945   8.2717  ?   ?       ?      ? 
1 1 1   -1    6   55 o  354.451   10.683  856.387   51.312  856.387   51.312   0.0000   0.0000  354.451   10.683  ?   ?       ?      ? 
1 1 1   -1    6   57 o  187.043   5.5910  231.579   13.359  256.746   23.684  219.835   16.178  194.195   8.9996  179.890   6.6364 14.30476 11.18195 
1 1 1   -1    6   58 o  381.607   5.5570  990.362   28.735  1006.51   40.906  974.630   40.373  384.680   7.8470  378.534   7.8705 6.145966 11.11397 
1 1 1   -1    6   59 o  275.740   4.8846  516.102   18.239  543.529   26.309  490.724   25.307  282.789   6.8652  268.691   6.9503 14.09808 9.769222 
1 1 1   -1    6   60 o  245.939   4.7624  410.246   15.843  376.910   21.905  446.814   22.942  235.470   6.8648  256.409   6.6027 -20.93907 9.524745 
1 1 1   -1    6   61 o  152.464   5.8814  154.368   11.354  147.717   13.657  169.255   20.433  147.402   6.8370  157.525   9.5718 -10.12396 11.76281 
1 1 1   -1    6   62 o  152.857   4.8037  158.542   9.9090  179.692   14.362  139.328   13.689  162.587   6.5184  143.126   7.0579 19.46080 9.607482 
1 1 1   -1    6   63 o  217.504   4.7294  321.692   13.939  319.613   19.714  323.770   19.712  216.799   6.7103  218.210   6.6663 -1.410477 9.458710 
1 1 1   -1    6   64 o  182.678   4.7804  226.887   11.832  232.024   16.928  221.980   16.544  184.698   6.7633  180.657   6.7578 4.041199 9.560828 
1 1 1   -1    6   65 o  158.244   4.8105  170.395   10.300  158.195   14.458  182.965   14.676  152.473   6.9973  164.015   6.6031 -11.54153 9.620982 
1 1 1   -1    6   66 o  152.696   4.8441  158.660   10.022  158.916   14.287  158.412   14.063  152.812   6.8993  152.579   6.8015 0.2330933 9.688135 
1 1 1   -1    6   67 o  221.050   5.9381  345.373   16.884  379.059   21.450  290.515   27.373  236.004   6.7070  206.096   9.8010 29.90804 11.87615 
1 1 1   -1    6   68 o  186.757   4.8421  237.488   12.254  236.512   17.255  238.480   17.406  186.373   6.8322  187.142   6.8633 -0.7693634 9.684242 
1 1 1   -1    6   69 o   51.235   9.0567   18.821   6.2642   18.742   9.1321   18.892   8.6089   51.130   13.116   51.341   12.493 -0.2105331 18.11330 
1 1 1   -1    6   70 o  105.728   6.7405   74.299   9.1606   83.856   16.081   69.707   11.146  110.448   10.744  101.008   8.1430 9.440063 13.48105 
1 1 1   -1    6   71 o   42.248   10.513   9.9798   7.2702   15.718   12.277   6.8811   9.0221   48.330   16.051   36.166   13.583 12.16427 21.02672 
1 1 1   -1    6   72 o  155.798   7.3355  166.910   15.473  159.135   21.361  175.494   22.444  151.988   10.371  159.608   10.377 -7.619766 14.67105 
1 1 1   -1    6   73 o  194.363   5.9380  252.936   14.763  277.652   26.031  241.217   17.924  200.847   9.5641  187.878   7.0402 12.96994 11.87592 
1 1 1   -1    6   74 o   71.993   7.1504   35.906   6.9310   31.059   9.7349   40.888   9.8703   66.965   10.728   77.021   9.4567 -10.05614 14.30071 
1 1 1   -1    6   75 o  178.207   6.2248  217.403   13.912  215.157   16.728  222.441   25.053  177.273   6.9632  179.142   10.320 -1.869400 12.44958 
1 1 1   -1    6   76 o  179.342   6.3101  228.414   14.138  239.812   17.233  204.950   24.726  187.090   6.7972  171.593   10.633 15.49663 12.62016 
1 1 1   -1    6   77 o   97.850   5.9165   66.668   7.6060   88.052   11.019   47.206   10.512  113.211   7.1824   82.489   9.4039 30.72232 11.83302 
1 1 1   -1    6   78 o   68.617   7.4359   33.904   6.5244   44.202   9.3352   24.070   9.1223   79.876   8.6244   57.359   12.116 22.51682 14.87187 
1 1 1   -1    6   79 o   51.791   8.7392   19.792   6.0513   18.401   8.4234   21.276   8.6988   49.871   12.491   53.711   12.226 -3.839401 17.47838 
1 1 1   -1    6   80 o   73.997   6.8022   38.779   6.6863   47.644   9.5014   30.082   9.4111   82.742   8.4738   65.252   10.643 17.48977 13.60435 
1 1 1   -1    6   81 o   96.383   5.7489   64.927   7.4786   69.713   10.418   59.838   10.742  100.204   7.6722   92.562   8.5637 7.641586 11.49785 
1 1 1   -1    6   82 o   26.141   8.0195  -2.9010   5.8984   4.3126   7.4360 -15.1414   9.6864   30.596   12.102   21.687   10.525 8.908939 16.03891 
1 1 1   -1    6   83 o   68.678   8.5387   35.144   7.3770   33.663   12.306   35.975   9.2165   66.144   14.157   71.213   9.5505 -5.069435 17.07735 
1 1 1   -1    6   84 o   48.716   9.9929   19.048   7.0767   13.616   11.878   22.037   8.8113   43.606   15.719   53.825   12.343 -10.21962 19.98585 
1 1 1   -1    6   85 o   85.930   11.556   54.113   13.457   0.0000   0.0000   54.113   13.457  ?   ?    85.930   11.556      ?      ? 
1 1 1   -1    6   86 o  107.200   8.0725   81.185   11.727   0.0000   0.0000   81.185   11.727  ?   ?   107.200   8.0725      ?      ? 
1 1 1   -1    6   87 o   70.920   16.160   41.363   15.184   0.0000   0.0000   41.363   15.184  ?   ?    70.920   16.160      ?      ? 
1 1 1   -1    6   88 o   92.482   9.5536   64.069   11.363   46.984   14.850   88.203   17.649   76.477   14.865  108.487   12.005 -32.01049 19.10719 
1 1 1   -1    6   89 o   42.913   11.420   13.390   8.9296   11.423   11.675   16.164   13.862   40.350   15.382   45.476   16.883 -5.125870 22.83979 
1 1 1   -1    6   90 o   76.151   10.449   46.264   10.296   40.447   13.446   54.510   16.009   70.536   14.550   81.767   15.000 -11.23063 20.89792 
1 1 1   -1    6   91 o   57.309   11.350   27.107   9.7355   15.338   12.971   42.289   14.732   43.895   16.325   70.723   15.773 -26.82824 22.70038 
1 1 1   -1    6   92 o   35.507   10.683   5.3762   8.9867   3.7675   12.249   7.2516   13.225   33.921   14.633   37.092   15.570 -3.170914 21.36680 
1 1 1   -1    6   93 o   46.564   11.447   17.690   9.5299   7.5502   13.116   29.029   13.870   36.841   15.487   56.288   16.860 -19.44668 22.89327 
1 1 1   -1    6   94 o   54.524   17.336   28.440   14.408   28.440   14.408   0.0000   0.0000   54.524   17.336  ?   ?       ?      ? 
1 1 1   -1    6   95 o   53.833   17.192   28.454   14.157   28.454   14.157   0.0000   0.0000   53.833   17.192  ?   ?       ?      ? 
1 1 1   -1    6   96 o   54.401   17.653   30.728   14.881   30.728   14.881   0.0000   0.0000   54.401   17.653  ?   ?       ?      ? 
1 1 1   -1    6   97 f   65.020   17.462   43.755   15.711   43.755   15.711   0.0000   0.0000   65.020   17.462  ?   ?       ?      ? 
1 1 1   -1    7    1 o  365.993   5.1848  907.731   25.706  884.398   35.786  932.606   36.949  361.138   7.3124  370.849   7.3523 -9.710480 10.36952 
1 1 1   -1    7    2 o  650.001   7.7614  2867.86   68.365  2884.90   96.878  2850.96   96.489  651.926   10.966  648.077   10.987 3.848694 15.52282 
1 1 1   -1    7    3 o  579.063   7.0763  2275.19   55.526  2258.94   78.035  2291.86   79.024  576.970   9.9806  581.155   10.034 -4.184937 14.15264 
1 1 1   -1    7    4 o  376.930   5.2764  962.614   26.940  933.806   37.433  993.564   38.800  371.086   7.4438  382.774   7.4802 -11.68799 10.55289 
1 1 1   -1    7    5 o  377.395   5.2744  965.690   26.972  956.273   37.833  975.423   38.463  375.526   7.4345  379.265   7.4838 -3.739532 10.54887 
1 1 1   -1    7    6 o  407.156   5.5233  1124.15   30.473  1116.30   42.831  1132.19   43.365  405.718   7.7903  408.594   7.8319 -2.875854 11.04655 
1 1 1   -1    7    7 o  596.559   7.2545  2413.64   58.629  2362.16   81.712  2468.26   84.171  590.010   10.220  603.108   10.299 -13.09747 14.50891 
1 1 1   -1    7    8 o  475.825   6.1391  1535.07   39.577  1505.22   55.300  1566.41   56.666  471.087   8.6625  480.564   8.7014 -9.476807 12.27816 
1 1 1   -1    7    9 o  682.366   9.3252  3101.76   73.745  3047.31   84.293  3279.40  152.249  670.244   9.2806  694.488   16.177 -24.24414 18.65030 
1 1 1   -1    7   10 o  644.591   9.5151  2869.96   79.355  2995.46   99.727  2653.33  131.021  664.372   11.077  624.811   15.474 39.56146 19.03028 
1 1 1   -1    7   11 o  597.583   8.3626  2390.43   58.168  2359.36   66.693  2489.22  118.904  589.838   8.3438  605.327   14.495 -15.48834 16.72511 
1 1 1   -1    7   12 o  582.312   8.7144  2301.63   64.835  2301.43   79.414  2302.02  112.274  582.451   10.061  582.173   14.231 0.2785034 17.42873 
1 1 1   -1    7   13 o  607.147   10.379  2501.93   85.361  2437.72  118.665  2570.79  122.882  599.086   14.617  615.208   14.740 -16.12183 20.75819 
1 1 1   -1    7   14 o  744.532   12.300  3768.15  124.098  3788.21  175.900  3748.28  175.105  746.505   17.388  742.559   17.401 3.946472 24.59990 
1 1 1   -1    7   15 o  674.406   11.349  3089.78  103.721  3068.08  146.356  3111.67  147.014  672.026   16.071  676.786   16.030 -4.760986 22.69861 
1 1 1   -1    7   16 o  435.785   7.1305  1298.61   39.816  1255.17   67.953  1321.32   49.133  430.117   11.658  441.453   8.2131 -11.33536 14.26092 
1 1 1   -1    7   17 o  612.571   7.4104  2545.10   61.514  2539.70   86.805  2550.56   87.186  611.918   10.468  613.224   10.492 -1.305603 14.82077 
1 1 1   -1    7   21 o  376.029   7.4977  958.522   38.206  958.522   38.206   0.0000   0.0000  376.029   7.4977  ?   ?       ?      ? 
1 1 1   -1    7   22 o  750.375   8.7825  3819.17   89.295  3761.21  125.096  3879.39  127.503  744.573   12.398  756.176   12.443 -11.60309 17.56508 
1 1 1   -1    7   23 o  510.330   13.012  1767.14   89.988   0.0000   0.0000  1767.14   89.988  ?   ?   510.330   13.012      ?      ? 
1 1 1   -1    7   24 o  440.401   7.2053  1302.56   40.183  1280.16   48.600  1350.96   71.440  434.541   8.2532  446.261   11.813 -11.72064 14.41062 
1 1 1   -1    7   25 o  596.417   7.2694  2411.81   58.746  2376.63   82.285  2448.38   83.896  591.983   10.257  600.851   10.304 -8.867249 14.53877 
1 1 1   -1    7   26 f  477.697   8.7232  1547.20   56.469  1547.20   56.469   0.0000   0.0000  477.697   8.7232  ?   ?       ?      ? 
1 1 1   -1    7   27 o  300.172   4.8136  610.766   19.579  610.733   27.516  610.801   27.864  300.165   6.7647  300.180   6.8499 -0.1510620E-01 9.627195 
1 1 1   -1    7   28 o  334.781   6.0991  749.411   26.022  729.860   31.596  790.628   45.876  328.126   7.1058  341.436   9.9149 -13.31049 12.19830 
1 1 1   -1    7   29 o  462.405   7.3975  1453.06   43.819  1458.78   53.869  1441.89   75.337  463.832   8.5703  460.977   12.060 2.855042 14.79506 
1 1 1   -1    7   30 o  490.095   6.3120  1628.73   41.920  1644.27   59.519  1613.43   59.051  492.415   8.9195  487.775   8.9335 4.639954 12.62399 
1 1 1   -1    7   31 o  255.400   4.5977  441.800   15.905  423.444   22.155  461.319   22.846  249.931   6.5414  260.870   6.4625 -10.93979 9.195320 
1 1 1   -1    7   32 o  769.523   9.0106  4019.56   93.960  3982.30  132.133  4057.67  133.637  765.917   12.731  773.128   12.755 -7.211243 18.02129 
1 1 1   -1    7   33 o  883.298   10.146  5299.95  121.448  5302.83  171.811  5297.08  171.695  883.537   14.350  883.059   14.348 0.4785767 20.29224 
1 1 1   -1    7   34 o  839.584   9.7446  4787.84  110.866  4747.94  155.962  4828.59  157.627  836.052   13.766  843.117   13.796 -7.065796 19.48930 
1 1 1   -1    7   35 o  558.553   9.8425  2116.72   74.499  2116.72   74.499   0.0000   0.0000  558.553   9.8425  ?   ?       ?      ? 
1 1 1   -1    7   36 o  471.989   8.7837  1511.12   56.182   0.0000   0.0000  1511.12   56.182  ?   ?   471.989   8.7837      ?      ? 
1 1 1   -1    7   37 o  444.579   7.3471  1360.25   42.057  1279.64   70.527  1404.73   52.391  434.091   11.989  455.067   8.4957 -20.97610 14.69412 
1 1 1   -1    7   38 o  607.766   7.4573  2504.55   61.381  2421.47   85.022  2595.00   88.706  597.255   10.505  618.277   10.587 -21.02161 14.91460 
1 1 1   -1    7   39 o  343.042   5.1590  798.119   23.983  794.774   33.863  801.484   33.970  342.321   7.2998  343.763   7.2922 -1.442200 10.31805 
1 1 1   -1    7   40 o  115.548   4.8579   90.711   7.5867   83.207   10.734   98.202   10.725  110.760   7.1514  120.336   6.5767 -9.576584 9.715724 
1 1 1   -1    7   41 o  605.503   10.501  2490.17   86.166  2490.17   86.166   0.0000   0.0000  605.503   10.501  ?   ?       ?      ? 
1 1 1   -1    7   42 o  513.887   8.1016  1799.71   53.140  1809.32   65.119  1780.54   91.938  516.219   9.3088  511.555   13.262 4.664185 16.20316 
1 1 1   -1    7   43 o  328.028   6.2928  729.159   26.203  726.530   31.868  734.644   46.040  327.234   7.1865  328.822   10.332 -1.587097 12.58563 
1 1 1   -1    7   44 o  316.210   5.0180  678.276   21.499  695.917   30.665  661.222   30.150  320.255   7.0658  312.166   7.1272 8.089172 10.03605 
1 1 1   -1    7   45 o  255.395   4.6699  442.456   16.160  432.475   22.687  452.737   23.025  252.471   6.6310  258.320   6.5774 -5.849289 9.339778 
1 1 1   -1    7   46 o  237.101   4.6056  381.398   14.797  376.663   20.795  386.255   21.060  235.611   6.5130  238.592   6.5136 -2.981171 9.211184 
1 1 1   -1    7   47 o  349.903   5.2695  831.204   24.986  836.100   35.374  826.330   35.296  350.933   7.4384  348.874   7.4659 2.058838 10.53893 
1 1 1   -1    7   48 o  332.441   7.2985  750.356   32.880  750.356   32.880   0.0000   0.0000  332.441   7.2985  ?   ?       ?      ? 
1 1 1   -1    7   49 f  286.516   5.8209  544.869   21.318  520.656   25.863  596.178   37.649  276.935   6.8915  296.096   9.3829 -19.16052 11.64179 
1 1 1   -1    7   50 o  311.585   6.0418  655.488   24.161  646.337   29.635  673.632   41.728  308.517   7.0882  314.654   9.7862 -6.136627 12.08353 
1 1 1   -1    7   51 f  365.359   5.3952  906.726   26.710  922.255   38.069  891.670   37.484  368.440   7.6247  362.278   7.6353 6.162231 10.79044 
1 1 1   -1    7   53 o  174.273   5.6319  210.332   12.471  195.018   21.389  218.220   15.350  169.270   9.3247  179.275   6.3185 -10.00493 11.26376 
1 1 1   -1    7   54 o  163.252   5.6760  184.670   11.763  171.085   20.206  191.634   14.467  158.517   9.4063  167.988   6.3552 -9.471024 11.35194 
1 1 1   -1    7   55 o  110.430   5.1345   83.060   7.6596   75.587   10.841   90.509   10.824  105.444   7.5869  115.416   6.9204 -9.972076 10.26900 
1 1 1   -1    7   56 o  332.110   10.444  752.340   47.005  752.340   47.005   0.0000   0.0000  332.110   10.444  ?   ?       ?      ? 
1 1 1   -1    7   57 o  179.730   4.6537  219.243   11.328  228.640   16.326  210.517   15.731  183.441   6.5674  176.019   6.5952 7.422272 9.307384 
1 1 1   -1    7   58 o  131.923   6.8467  118.296   12.240  118.296   12.240   0.0000   0.0000  131.923   6.8467  ?   ?       ?      ? 
1 1 1   -1    7   59 o  248.994   6.0013  429.509   18.994  444.341   23.371  400.648   32.600  255.669   6.7454  242.318   9.9278 13.35143 12.00256 
1 1 1   -1    7   60 o  330.206   5.2472  741.568   23.475  723.891   32.860  759.994   33.549  326.186   7.4339  334.227   7.4073 -8.040161 10.49430 
1 1 1   -1    7   61 f  187.815   4.7422  239.792   12.058  225.932   16.897  254.178   17.214  182.272   6.8407  193.358   6.5695 -11.08583 9.484369 
1 1 1   -1    7   62 o  184.098   4.8151  230.438   11.998  215.098   16.787  246.456   17.154  177.821   6.9662  190.376   6.6493 -12.55415 9.630248 
1 1 1   -1    7   63 o  249.097   6.8448  422.104   23.105  422.104   23.105   0.0000   0.0000  249.097   6.8448  ?   ?       ?      ? 
1 1 1   -1    7   64 o  241.884   6.8059  398.073   22.309  398.073   22.309   0.0000   0.0000  241.884   6.8059  ?   ?       ?      ? 
1 1 1   -1    7   65 o  188.504   4.7552  241.433   12.135  256.754   17.514  227.285   16.830  194.256   6.6533  182.752   6.7957 11.50418 9.510411 
1 1 1   -1    7   66 o  128.615   5.1335  112.538   8.9413  117.981   12.896  107.500   12.408  131.608   7.2310  125.621   7.2886 5.987114 10.26701 
1 1 1   -1    7   67 o  101.916   6.7710   73.930   8.8675   82.248   11.315   60.691   14.275  109.830   7.6026   94.001   11.207 15.82901 13.54204 
1 1 1   -1    7   68 o  107.786   6.6103   75.968   9.0758   89.986   16.378   69.755   10.903  114.487   10.556  101.085   7.9594 13.40242 13.22070 
1 1 1   -1    7   69 o   89.060   8.3088   60.204   8.5783   44.038   15.047   67.988   10.441   78.337   14.715   99.783   7.7217 -21.44639 16.61762 
1 1 1   -1    7   70 o  100.725   5.6696   69.151   7.7180   76.709   11.246   62.421   10.611  105.932   7.8340   95.519   8.1979 10.41287 11.33922 
1 1 1   -1    7   71 o   68.112   7.4702   32.694   6.6714   28.630   9.6184   36.461   9.2614   63.380   11.627   72.843   9.3823 -9.462120 14.94043 
1 1 1   -1    7   72 f  113.204   6.7413   84.737   9.5663   97.534   17.701   79.457   11.370  118.700   11.005  107.708   7.7896 10.99209 13.48258 
1 1 1   -1    7   73 o  222.453   7.1245  340.988   21.413  306.045   29.467  380.089   31.170  210.298   10.340  234.608   9.8042 -24.31007 14.24906 
1 1 1   -1    7   74 o  143.812   6.5018  144.823   11.831  148.830   14.481  136.780   20.517  147.348   7.2523  140.275   10.793 7.072556 13.00354 
1 1 1   -1    7   75 o   72.111   8.6574   36.327   7.8465   39.585   13.541   34.680   9.6277   73.562   14.096   70.660   10.055 2.901970 17.31481 
1 1 1   -1    7   76 o   74.375   8.5661   33.264   7.7996   20.986   9.2376   63.751   14.556   53.415   12.906   95.334   11.267 -41.91835 17.13215 
1 1 1   -1    7   77 f   91.005   5.9109   57.327   7.2843   54.499   10.231   60.234   10.373   88.693   8.5125   93.317   8.2031 -4.623154 11.82172 
1 1 1   -1    7   78 o  112.577   5.4046   87.612   8.2377   82.845   11.578   92.499   11.723  109.427   7.8077  115.727   7.4754 -6.300133 10.80928 
1 1 1   -1    7   79 o  126.032   5.2510  109.933   8.9301  123.440   12.804   97.142   12.461  133.695   7.0674  118.369   7.7682 15.32557 10.50205 
1 1 1   -1    7   80 o   81.525   6.4537   46.745   7.1068   50.622   10.009   42.802   10.093   85.077   8.6813   77.974   9.5516 7.102684 12.90732 
1 1 1   -1    7   81 o   49.331   11.278   18.238   8.5912   21.621   12.861   15.512   11.545   52.736   16.324   45.926   15.567 6.809593 22.55685 
1 1 1   -1    7   82 o   89.329   11.674   57.916   14.132   0.0000   0.0000   57.916   14.132  ?   ?    89.329   11.674      ?      ? 
1 1 1   -1    7   83 o  106.936   7.0068   83.697   9.4930   75.819   16.133   87.869   11.741  101.889   11.684  111.982   7.7369 -10.09335 14.01361 
1 1 1   -1    7   84 o   76.114   8.5368   43.242   7.9882   43.100   13.938   43.311   9.7480   74.296   14.363   77.931   9.2305 -3.634468 17.07366 
1 1 1   -1    7   85 o   90.315   7.2535   54.380   8.4292   75.427   15.117   44.883   10.154  101.548   10.985   79.083   9.4753 22.46491 14.50698 
1 1 1   -1    7   86 o   47.474   16.980   17.819   13.835   0.0000   0.0000   17.819   13.835  ?   ?    47.474   16.980      ?      ? 
1 1 1   -1    7   87 o   74.342   15.838   45.408   15.467   0.0000   0.0000   45.408   15.467  ?   ?    74.342   15.838      ?      ? 
1 1 1   -1    7   88 o   87.541   9.6994   61.606   10.763   72.729   14.494   47.929   16.071   99.208   10.781   75.874   16.127 23.33456 19.39884 
1 1 1   -1    7   89 o   44.054   10.879   11.542   8.8009   0.4599   11.384   28.005   13.875   31.301   13.792   56.807   16.828 -25.50634 21.75778 
1 1 1   -1    7   90 o   37.999   10.732   8.3391   8.8396   14.707   11.747   0.0249   13.422   43.013   15.612   32.986   14.729 10.02709 21.46326 
1 1 1   -1    7   91 o   38.780   11.117   9.3968   9.0996   6.1769   12.216   13.410   13.638   35.574   14.950   41.986   16.458 -6.412193 22.23487 
1 1 1   -1    7   92 o   28.748   9.3776  -4.4159   8.5532  -1.6967   11.723  -7.5111   12.507   29.741   13.480   27.754   13.041 1.987038 18.75520 
1 1 1   -1    7   93 o   32.241   10.063  -0.4706   9.0485   9.7441   13.036  -9.9676   12.570   37.917   15.649   26.564   12.655 11.35283 20.12586 
1 1 1   -1    7   94 o   47.012   17.123   21.366   14.148   21.366   14.148   0.0000   0.0000   47.012   17.123  ?   ?       ?      ? 
1 1 1   -1    7   95 o   33.833   14.980   4.6960   13.592   4.6960   13.592   0.0000   0.0000   33.833   14.980  ?   ?       ?      ? 
1 1 1   -1    7   96 o   46.713   17.181   23.279   14.293   23.279   14.293   0.0000   0.0000   46.713   17.181  ?   ?       ?      ? 
1 1 1   -1    8    1 o  637.710   7.6642  2754.77   66.181  2655.98   91.425  2863.52   95.926  625.720   10.782  649.700   10.895 -23.97980 15.32846 
1 1 1   -1    8    2 o  323.021   4.9006  707.338   21.451  707.835   30.226  706.833   30.448  323.136   6.9026  322.906   6.9583 0.2298584 9.801248 
1 1 1   -1    8    3 o  250.715   4.4501  425.726   15.113  412.724   21.021  439.638   21.744  246.756   6.2863  254.674   6.3005 -7.917984 8.900195 
1 1 1   -1    8    4 o  787.796   9.1513  4211.19   97.685  4280.93  139.424  4143.94  136.905  794.200   12.955  781.392   12.929 12.80768 18.30253 
1 1 1   -1    8    5 o  796.488   9.2510  4302.96   99.817  4200.47  138.980  4412.15  143.452  786.704   13.036  806.273   13.129 -19.56940 18.50209 
1 1 1   -1    8    6 o  767.877   8.9486  4000.49   93.105  3947.25  130.428  4055.80  132.950  762.673   12.620  773.082   12.691 -10.40924 17.89713 
1 1 1   -1    8    7 o  894.685   10.253  5424.71  124.187  5217.81  171.009  5655.58  180.642  876.680   14.394  912.690   14.605 -36.00903 20.50648 
1 1 1   -1    8    8 o  502.806   9.0159  1715.16   61.424  1751.75   87.596  1679.77   86.154  508.081   12.722  497.530   12.778 10.55072 18.03178 
1 1 1   -1    8    9 o  300.536   5.8128  618.900   22.542  590.574   37.783  634.555   28.089  295.110   9.4478  305.962   6.7745 -10.85220 11.62561 
1 1 1   -1    8   10 o  369.154   6.4352  914.918   30.324  897.448   36.937  951.031   53.106  363.847   7.4914  374.461   10.465 -10.61453 12.87032 
1 1 1   -1    8   11 o  310.179   5.9219  651.288   23.544  649.190   28.909  655.420   40.576  309.470   6.8934  310.889   9.6311 -1.418976 11.84390 
1 1 1   -1    8   12 o  520.435   8.0393  1828.32   53.389  1810.93   65.159  1863.83   93.130  516.786   9.3042  524.084   13.113 -7.298401 16.07862 
1 1 1   -1    8   13 o  623.951   8.7309  2655.70   64.222  2670.67   74.439  2612.13  127.010  627.611   8.7524  620.290   15.110 7.320740 17.46176 
1 1 1   -1    8   14 o  419.078   6.5419  1186.16   32.139  1181.52   37.055  1200.23   64.566  417.508   6.5494  420.649   11.327 -3.140930 13.08382 
1 1 1   -1    8   15 o  575.136   8.1514  2230.05   54.835  2216.72   63.124  2271.03  110.697  571.817   8.1462  578.454   14.122 -6.637024 16.30280 
1 1 1   -1    8   16 f  506.525   7.9321  1762.83   51.778  1816.64   64.522  1665.49   86.778  517.612   9.1986  495.439   12.925 22.17276 15.86430 
1 1 1   -1    8   17 o  657.954   9.1088  2949.77   70.615  2962.69   81.801  2911.99  139.896  661.021   9.1319  654.887   15.764 6.133972 18.21763 
1 1 1   -1    8   18 o  558.508   13.823  2116.93  104.617   0.0000   0.0000  2116.93  104.617  ?   ?   558.508   13.823      ?      ? 
1 1 1   -1    8   19 o  318.689   6.0513  692.663   24.549  700.673   30.049  676.587   42.569  321.510   6.8968  315.867   9.9451 5.642609 12.10252 
1 1 1   -1    8   20 o  544.491   8.3604  2018.66   58.229  2034.08   71.544  1988.41  100.217  547.691   9.6395  541.291   13.662 6.400330 16.72071 
1 1 1   -1    8   21 o  535.974   6.7239  1947.92   48.836  1942.09   68.767  1953.85   69.364  535.167   9.4822  536.782   9.5358 -1.615356 13.44782 
1 1 1   -1    8   22 o  268.892   4.6107  489.953   16.798  480.825   23.532  499.437   23.988  266.339   6.5198  271.445   6.5213 -5.105835 9.221399 
1 1 1   -1    8   23 o  489.851   7.6872  1608.06   47.803  1573.04   57.889  1683.13   84.759  481.656   8.8690  498.046   12.558 -16.39011 15.37443 
1 1 1   -1    8   24 o  306.913   9.6721  638.805   40.227   0.0000   0.0000  638.805   40.227  ?   ?   306.913   9.6721      ?      ? 
1 1 1   -1    8   25 o  311.488   5.9685  661.563   23.876  669.633   29.491  646.213   40.674  314.296   6.9242  308.680   9.7236 5.616089 11.93706 
1 1 1   -1    8   27 o  327.028   5.0163  724.680   22.225  706.662   31.034  743.651   31.844  322.858   7.0932  331.199   7.0951 -8.341858 10.03261 
1 1 1   -1    8   28 o  569.338   9.9923  2198.81   77.093   0.0000   0.0000  2198.81   77.093  ?   ?   569.338   9.9923      ?      ? 
1 1 1   -1    8   29 o  682.909   8.1448  3164.95   75.375  3155.35  106.325  3174.66  106.869  681.869   11.507  683.950   11.530 -2.081299 16.28969 
1 1 1   -1    8   30 o  781.266   9.1345  4140.79   96.663  4020.74  134.207  4270.20  139.342  769.516   12.870  793.016   12.966 -23.50037 18.26908 
1 1 1   -1    8   31 o  517.249   6.5793  1813.87   46.104  1767.53   64.284  1862.95   66.157  510.451   9.2932  524.047   9.3158 -13.59583 13.15859 
1 1 1   -1    8   32 o  330.029   5.0672  738.415   22.660  750.279   32.266  726.869   31.831  332.644   7.1579  327.413   7.1741 5.231201 10.13431 
1 1 1   -1    8   33 o  361.536   6.5621  888.880   30.248  880.467   52.475  893.066   37.016  360.174   10.751  362.898   7.5270 -2.724670 13.12415 
1 1 1   -1    8   34 o  546.323   8.3873  1968.84   57.502  2179.48  105.479  1879.77   68.590  566.313   13.744  526.333   9.6165 39.98004 16.77457 
1 1 1   -1    8   35 o  289.639   5.8800  569.159   21.872  568.831   37.477  569.328   26.935  289.522   9.5521  289.756   6.8595 -0.2341309 11.75991 
1 1 1   -1    8   36 o  341.757   5.1814  792.140   23.996  795.238   34.052  789.084   33.820  342.420   7.3383  341.094   7.3168 1.326294 10.36272 
1 1 1   -1    8   37 o  549.798   9.8024  2052.02   73.033   0.0000   0.0000  2052.02   73.033  ?   ?   549.798   9.8024      ?      ? 
1 1 1   -1    8   38 o  780.845   12.990  4146.20  137.457  4146.20  137.457   0.0000   0.0000  780.845   12.990  ?   ?       ?      ? 
1 1 1   -1    8   39 o  624.147   9.3426  2609.10   73.667  2539.47   88.731  2763.56  132.153  611.387   10.710  636.908   15.311 -25.52094 18.68526 
1 1 1   -1    8   40 o  537.346   8.3962  1983.65   57.895  2028.68   71.665  1899.07   98.229  546.534   9.6762  528.157   13.724 18.37701 16.79248 
1 1 1   -1    8   41 o  287.332   4.8452  560.102   18.866  563.236   26.758  557.004   26.603  288.131   6.8530  286.533   6.8512 1.598389 9.690367 
1 1 1   -1    8   42 o  220.658   4.5467  330.137   13.587  314.051   18.997  346.983   19.441  215.155   6.5157  226.162   6.3432 -11.00673 9.093424 
1 1 1   -1    8   43 o  316.695   5.0316  680.633   21.593  688.047   30.656  673.331   30.420  318.407   7.1047  314.982   7.1268 3.425049 10.06320 
1 1 1   -1    8   44 o  313.809   5.0055  668.389   21.286  667.166   30.077  669.615   30.129  313.522   7.0793  314.097   7.0784 -0.5749512 10.01103 
1 1 1   -1    8   45 o  154.077   4.5549  161.077   9.4995  150.858   13.314  171.675   13.558  149.094   6.5897  159.060   6.2900 -9.965988 9.109811 
1 1 1   -1    8   46 o  244.373   4.6836  404.697   15.496  382.099   21.477  429.234   22.380  237.264   6.6797  251.481   6.5670 -14.21623 9.367156 
1 1 1   -1    8   48 o  207.324   5.4590  287.404   14.603  277.503   17.933  306.892   25.160  202.184   6.5452  212.464   8.7386 -10.28004 10.91800 
1 1 1   -1    8   49 o  145.331   5.5063  143.843   10.415  144.704   13.048  142.332   17.290  145.990   6.5954  144.673   8.8192 1.316849 11.01257 
1 1 1   -1    8   50 o  156.142   4.6329  165.529   9.8010  166.273   14.009  164.816   13.717  156.483   6.6064  155.801   6.4968 0.6820221 9.265710 
1 1 1   -1    8   51 o  224.035   5.7369  347.441   16.397  322.346   27.905  360.674   20.264  217.605   9.4630  230.464   6.4883 -12.85872 11.47376 
1 1 1   -1    8   52 o  202.417   4.6061  278.204   12.632  281.465   18.072  275.089   17.664  203.574   6.5510  201.260   6.4767 2.313278 9.212100 
1 1 1   -1    8   53 o  192.043   4.5996  250.293   11.965  260.551   17.193  240.660   16.660  195.857   6.4779  188.229   6.5316 7.628220 9.199130 
1 1 1   -1    8   54 o  354.497   5.3619  854.477   25.758  856.631   36.545  852.351   36.311  354.938   7.5978  354.056   7.5679 0.8828430 10.72382 
1 1 1   -1    8   55 o  207.328   5.7801  290.781   15.185  297.373   26.864  287.686   18.407  208.890   9.4900  205.766   6.6013 3.123795 11.56017 
1 1 1   -1    8   56 o  380.860   7.9695  991.284   41.132  991.277   58.099  991.290   58.239  380.862   11.257  380.857   11.284 0.5462646E-02 15.93901 
1 1 1   -1    8   57 o  234.001   5.8918  369.096   17.521  362.254   21.258  383.590   30.938  230.845   6.7955  237.156   9.6267 -6.311600 11.78359 
1 1 1   -1    8   58 o  188.362   4.6887  241.161   11.968  244.010   17.029  238.380   16.822  189.461   6.6326  187.263   6.6290 2.198074 9.377378 
1 1 1   -1    8   59 o  248.210   4.8241  418.901   16.225  424.116   23.076  413.801   22.818  249.738   6.8187  246.682   6.8258 3.056458 9.648104 
1 1 1   -1    8   60 o  207.664   4.7816  293.272   13.455  293.685   19.161  292.870   18.897  207.803   6.8045  207.524   6.7196 0.2790222 9.563127 
1 1 1   -1    8   61 o  237.299   4.8148  382.736   15.466  358.380   21.570  408.508   22.188  229.518   6.9352  245.080   6.6809 -15.56219 9.629688 
1 1 1   -1    8   62 o  152.735   4.8406  158.841   10.007  149.773   14.148  167.919   14.155  148.352   7.0375  157.119   6.6483 -8.767288 9.681190 
1 1 1   -1    8   63 o  144.605   4.9160  142.379   9.6295  139.087   13.701  145.592   13.537  142.942   7.0731  146.269   6.8295 -3.327393 9.832094 
1 1 1   -1    8   64 o  116.581   5.3538   92.808   8.4341   85.092   11.958  100.446   11.897  111.720   7.8988  121.442   7.2292 -9.722092 10.70756 
1 1 1   -1    8   65 o  193.617   4.7956  254.998   12.577  264.279   18.117  246.365   17.472  197.013   6.7860  190.220   6.7780 6.793137 9.591235 
1 1 1   -1    8   66 o  104.161   7.7518   73.399   10.811   91.549   16.330   59.240   14.424  115.518   10.432   92.805   11.469 22.71252 15.50359 
1 1 1   -1    8   67 o   62.615   10.303   27.583   8.6598   37.685   13.109   19.762   11.535   72.577   13.834   52.653   15.273 19.92356 20.60677 
1 1 1   -1    8   68 o   77.050   6.6568   41.131   6.8651   34.321   9.8167   47.649   9.6044   70.658   10.252   83.443   8.4937 -12.78452 13.31356 
1 1 1   -1    8   69 o  147.565   4.9237  148.669   9.8439  147.046   14.019  150.248   13.826  146.757   7.0490  148.374   6.8764 -1.616577 9.847486 
1 1 1   -1    8   70 o   46.587   9.0311   15.188   6.0831   21.519   8.8718   9.5703   8.3569   54.622   12.284   38.552   13.242 16.07006 18.06228 
1 1 1   -1    8   71 o  119.144   6.6210   95.427   10.058   91.097   12.176  104.727   17.844  115.291   7.7933  122.997   10.706 -7.705788 13.24196 
1 1 1   -1    8   72 o  154.594   7.2240  165.214   15.105  151.526   20.942  180.058   21.808  147.852   10.452  161.335   9.9748 -13.48222 14.44793 
1 1 1   -1    8   73 o   44.448   9.1143   13.725   6.0477   19.848   8.8207   8.2923   8.3078   52.157   12.617   36.740   13.156 15.41647 18.22868 
1 1 1   -1    8   74 o   56.660   8.4254   23.339   6.2638   22.801   8.8836   23.870   8.8334   55.957   12.070   57.362   11.759 -1.404629 16.85075 
1 1 1   -1    8   75 o  122.958   5.2644  104.095   8.7717  103.740   12.375  104.453   12.435  122.749   7.4398  123.167   7.4501 -0.4187775 10.52873 
1 1 1   -1    8   76 o   84.166   6.2106   49.201   7.0834   49.033   9.9792   49.371   10.056   84.026   8.7639   84.306   8.8022 -0.2801056 12.42111 
1 1 1   -1    8   77 o   31.280   9.1139   2.4683   6.4123   5.9346   8.3988  -2.3762   9.9289   33.769   13.004   28.791   12.773 4.978041 18.22785 
1 1 1   -1    8   78 o   41.334   9.8291   12.211   6.9605   2.6167   12.199   16.842   8.4756   35.187   14.871   47.481   12.856 -12.29469 19.65821 
1 1 1   -1    8   79 o   40.343   9.8080   7.5925   6.7502   20.934   11.631   0.8156   8.2891   52.190   15.393   28.496   12.159 23.69444 19.61600 
1 1 1   -1    8   80 o   66.970   10.653   33.744   9.9924   18.946   13.463   51.893   14.910   49.886   16.811   84.053   13.090 -34.16672 21.30670 
1 1 1   -1    8   81 o   65.725   9.1481   32.463   7.7946   32.017   12.454   32.750   9.9941   64.069   14.661   67.382   10.945 -3.312851 18.29624 
1 1 1   -1    8   82 o   81.743   8.5501   49.108   9.4623   52.060   13.575   46.318   13.197   84.236   11.892   79.250   12.288 4.986282 17.10023 
1 1 1   -1    8   83 o   35.484   9.7965   7.2878   6.7331   4.0503   11.550   8.9543   8.2867   34.654   14.549   36.313   13.123 -1.659508 19.59305 
1 1 1   -1    8   84 o   43.004   11.306   13.202   8.9783   16.806   11.997   8.6134   13.537   46.333   15.868   39.674   16.110 6.659184 22.61287 
1 1 1   -1    8   85 o   60.995   11.511   29.419   9.8192   20.345   12.687   42.973   15.506   49.851   16.305   72.139   16.252 -22.28791 23.02139 
1 1 1   -1    8   86 o   46.295   17.457   16.587   14.935   0.0000   0.0000   16.587   14.935  ?   ?    46.295   17.457      ?      ? 
1 1 1   -1    8   87 o   54.886   17.616   26.268   14.850   0.0000   0.0000   26.268   14.850  ?   ?    54.886   17.616      ?      ? 
1 1 1   -1    8   88 f   40.985   10.723   11.587   8.8458   19.837   11.367  -1.0816   14.086   48.760   15.387   33.210   14.939 15.54926 21.44582 
1 1 1   -1    8   89 o   58.068   11.975   29.758   9.9384   28.907   13.149   30.892   15.179   57.700   16.168   58.435   17.668 -0.7351723 23.94933 
1 1 1   -1    8   90 o   29.562   9.5742  -3.4710   8.6550  -0.5049   11.200  -7.8680   13.636   30.057   13.435   29.067   13.644 0.9895325 19.14841 
1 1 1   -1    8   91 o   42.363   11.128   9.9005   9.4822  -2.9251   12.304   28.663   14.881   29.663   13.583   55.064   17.630 -25.40104 22.25602 
1 1 1   -1    8   92 o   47.473   12.067   20.686   10.017   15.619   13.694   26.518   14.690   42.660   16.555   52.286   17.561 -9.626053 24.13414 
1 1 1   -1    8   93 o   31.582   10.033   0.7227   9.0521   5.0123   12.799  -3.5706   12.805   33.935   14.796   29.229   13.553 4.705276 20.06516 
1 1 1   -1    8   94 o   23.660   11.544 -14.9866   12.088 -14.9866   12.088   0.0000   0.0000   23.660   11.544  ?   ?       ?      ? 
1 1 1   -1    8   95 o   41.618   16.420   17.197   13.655   17.197   13.655   0.0000   0.0000   41.618   16.420  ?   ?       ?      ? 
1 1 1   -1    9    1 o  499.682   7.8771  1725.18   50.978  1580.78   83.767  1810.12   64.245  482.682   12.806  516.683   9.1756 -34.00061 15.75427 
1 1 1   -1    9    2 o  629.594   9.3802  2742.47   76.683  2494.97  125.004  2891.80   97.099  606.226   15.216  652.963   10.973 -46.73639 18.76035 
1 1 1   -1    9    3 o  869.945   20.036  5145.12  236.203   0.0000   0.0000  5145.12  236.203  ?   ?   869.945   20.036      ?      ? 
1 1 1   -1    9    4 f  696.319   16.600  3292.85  156.643   0.0000   0.0000  3292.85  156.643  ?   ?   696.319   16.600      ?      ? 
1 1 1   -1    9    5 o  603.215   14.792  2469.98  120.917   0.0000   0.0000  2469.98  120.917  ?   ?   603.215   14.792      ?      ? 
1 1 1   -1    9    6 o  609.738   9.0553  2438.25   69.121  2741.45  127.777  2312.81   82.184  635.497   14.837  583.980   10.385 51.51666 18.11061 
1 1 1   -1    9    7 o  359.247   6.3251  866.847   29.144  900.248   50.539  850.206   35.673  364.346   10.236  354.148   7.4330 10.19772 12.65018 
1 1 1   -1    9    8 o  399.380   5.5650  1081.31   30.118  1080.82   42.441  1081.81   42.747  399.289   7.8437  399.472   7.8965 -0.1821289 11.13007 
1 1 1   -1    9    9 o  711.104   8.4259  3429.96   81.191  3469.96  115.547  3390.95  114.110  715.199   11.922  707.010   11.910 8.188354 16.85188 
1 1 1   -1    9   10 o  491.678   6.3558  1638.63   42.341  1611.93   59.230  1666.54   60.550  487.585   8.9642  495.772   9.0126 -8.187836 12.71160 
1 1 1   -1    9   11 o  726.392   10.513  3620.41   98.286  3709.67  122.109  3456.19  165.631  739.466   12.186  713.318   17.135 26.14850 21.02577 
1 1 1   -1    9   12 o  717.484   10.376  3495.30   95.072  3497.07  116.419  3491.75  164.728  717.978   11.965  716.990   16.954 0.9873657 20.75115 
1 1 1   -1    9   13 o  614.599   14.942  2564.31  124.446   0.0000   0.0000  2564.31  124.446  ?   ?   614.599   14.942      ?      ? 
1 1 1   -1    9   14 o  730.581   10.534  3592.17   97.569  3536.25  118.182  3711.86  172.906  721.971   12.080  739.191   17.261 -17.22034 21.06806 
1 1 1   -1    9   15 o  483.625   8.8382  1585.88   57.923  1585.88   57.923   0.0000   0.0000  483.625   8.8382  ?   ?       ?      ? 
1 1 1   -1    9   16 f  126.446   6.3372  108.373   10.859  108.373   10.859   0.0000   0.0000  126.446   6.3372  ?   ?       ?      ? 
1 1 1   -1    9   17 o  416.852   7.0153  1192.41   37.535  1223.64   46.512  1134.09   63.558  424.835   8.0791  408.869   11.471 15.96625 14.03056 
1 1 1   -1    9   18 o  606.561   9.0620  2503.98   70.313  2518.83   86.360  2474.77  121.105  609.395   10.458  603.728   14.803 5.666870 18.12396 
1 1 1   -1    9   19 o  564.822   8.5838  2159.23   61.817  2148.60   75.471  2180.90  107.757  562.852   9.8947  566.793   14.029 -3.940979 17.16768 
1 1 1   -1    9   20 o  464.336   7.6243  1500.59   46.020  1617.84   58.796  1315.15   73.940  488.448   8.8827  440.224   12.394 48.22351 15.24862 
1 1 1   -1    9   21 o  450.259   7.3261  1380.36   42.225  1391.09   51.920  1359.39   72.564  452.938   8.4589  447.579   11.964 5.358856 14.65217 
1 1 1   -1    9   22 o  368.241   5.3228  919.277   26.560  911.173   37.330  927.585   37.799  366.598   7.5143  369.884   7.5410 -3.286041 10.64568 
1 1 1   -1    9   23 o  662.213   11.270  2975.61  101.139   0.0000   0.0000  2975.61  101.139  ?   ?   662.213   11.270      ?      ? 
1 1 1   -1    9   25 o  291.408   6.7917  575.710   26.820  575.710   26.820   0.0000   0.0000  291.408   6.7917  ?   ?       ?      ? 
1 1 1   -1    9   26 o  567.971   7.0587  2187.70   54.317  2142.92   75.854  2234.82   77.816  562.010   9.9598  573.931   10.005 -11.92084 14.11745 
1 1 1   -1    9   27 o  399.456   5.5827  1081.44   30.211  1114.38   43.321  1050.25   42.153  405.374   7.8861  393.537   7.9041 11.83691 11.16541 
1 1 1   -1    9   28 o  245.909   4.6020  409.973   15.335  406.579   21.653  413.389   21.722  244.887   6.5247  246.930   6.4915 -2.042908 9.203935 
1 1 1   -1    9   29 o  665.459   9.8271  3026.09   83.810  2956.05  143.353  3062.45  103.304  659.262   16.046  671.656   11.350 -12.39386 19.65429 
1 1 1   -1    9   30 o  407.682   6.9953  1101.25   35.834  1198.49   65.343  1059.43   42.853  420.140   11.477  395.224   8.0013 24.91617 13.99068 
1 1 1   -1    9   31 o  160.042   5.4825  175.426   11.320  168.055   19.000  179.483   14.095  157.385   8.9086  162.700   6.3929 -5.315338 10.96510 
1 1 1   -1    9   32 o  396.342   6.7575  1044.79   34.080  1127.49   60.560  1006.46   41.228  407.489   10.967  385.195   7.8983 22.29440 13.51506 
1 1 1   -1    9   33 o  161.092   4.5656  175.941   9.9418  159.655   13.883  193.085   14.244  153.437   6.6768  168.747   6.2288 -15.31062 9.131138 
1 1 1   -1    9   35 o  243.805   4.6215  403.134   15.269  402.073   21.577  404.199   21.610  243.484   6.5393  244.127   6.5322 -0.6432648 9.242905 
1 1 1   -1    9   36 o  345.729   6.4717  819.770   28.580  837.008   35.193  786.380   48.979  351.241   7.3937  340.217   10.624 11.02429 12.94333 
1 1 1   -1    9   37 o  488.928   7.8390  1621.59   48.810  1615.35   59.543  1634.38   85.221  487.758   9.0083  490.098   12.832 -2.339722 15.67808 
1 1 1   -1    9   38 o  330.597   5.1433  741.111   23.034  768.122   33.049  715.597   32.120  336.452   7.2486  324.741   7.2988 11.71036 10.28657 
1 1 1   -1    9   40 o  514.711   9.3703  1800.10   65.358  1800.10   65.358   0.0000   0.0000  514.711   9.3703  ?   ?       ?      ? 
1 1 1   -1    9   41 o  243.288   6.6381  401.650   21.885  401.650   21.885   0.0000   0.0000  243.288   6.6381  ?   ?       ?      ? 
1 1 1   -1    9   42 o  361.986   5.3594  889.683   26.290  893.178   37.298  886.232   37.062  362.692   7.5886  361.281   7.5701 1.411072 10.71881 
1 1 1   -1    9   43 o  366.040   7.6423  909.894   37.909  909.894   37.909   0.0000   0.0000  366.040   7.6423  ?   ?       ?      ? 
1 1 1   -1    9   44 o  270.816   4.7994  497.752   17.611  507.423   25.127  488.415   24.690  273.401   6.7820  268.231   6.7926 5.170319 9.598716 
1 1 1   -1    9   45 o  260.103   4.7405  459.260   16.708  462.212   23.774  456.378   23.487  260.927   6.7234  259.278   6.6847 1.648926 9.481041 
1 1 1   -1    9   46 o  261.106   4.7745  462.683   16.888  446.048   23.622  480.075   24.153  256.304   6.8011  265.908   6.7028 -9.604492 9.548945 
1 1 1   -1    9   47 o  248.104   5.6221  410.060   17.951  393.008   21.948  444.517   31.199  240.574   6.7323  255.634   9.0061 -15.05939 11.24429 
1 1 1   -1    9   48 o  201.508   6.4111  276.680   17.481  265.413   25.054  287.369   24.404  197.477   9.3620  205.540   8.7614 -8.062393 12.82224 
1 1 1   -1    9   49 f   44.438   9.7994   11.113   6.2576   20.456   11.483   7.1665   7.4631   53.869   15.115   35.006   12.477 18.86344 19.59888 
1 1 1   -1    9   50 o  202.248   4.6012  277.739   12.598  260.812   17.640  295.359   17.997  195.951   6.6429  208.546   6.3682 -12.59526 9.202321 
1 1 1   -1    9   51 o  142.500   4.7474  137.927   9.1646  139.091   13.149  136.827   12.780  143.081   6.7818  141.919   6.6452 1.161865 9.494779 
1 1 1   -1    9   52 o  229.442   6.7357  357.707   20.943  357.707   20.943   0.0000   0.0000  229.442   6.7357  ?   ?       ?      ? 
1 1 1   -1    9   53 f  207.476   4.6933  292.437   13.192  295.343   18.914  289.685   18.408  208.474   6.6951  206.478   6.5789 1.996033 9.386523 
1 1 1   -1    9   54 o  219.963   6.8072  328.966   20.228  294.479   27.873  367.345   29.403  207.777   9.8991  232.148   9.3465 -24.37091 13.61432 
1 1 1   -1    9   55 o  240.314   5.9436  394.219   18.214  390.480   31.574  396.084   22.298  239.251   9.7384  241.377   6.8169 -2.126175 11.88726 
1 1 1   -1    9   56 o  215.843   4.7404  316.732   13.864  316.391   19.717  317.065   19.500  215.724   6.7446  215.962   6.6629 -0.2385712 9.480716 
1 1 1   -1    9   57 o   84.069   6.1663   48.165   7.0233   48.468   10.054   47.876   9.8153   84.323   8.7985   83.815   8.6417 0.5079193 12.33263 
1 1 1   -1    9   58 o  156.567   4.8881  166.715   10.369  167.978   14.827  165.505   14.507  157.143   6.9624  155.991   6.8628 1.152069 9.776134 
1 1 1   -1    9   59 o  125.877   5.2166  108.122   8.8761  101.781   12.740  114.103   12.373  122.257   7.6900  129.497   7.0508 -7.240280 10.43312 
1 1 1   -1    9   60 o  251.404   6.9408  430.074   23.646  430.074   23.646   0.0000   0.0000  251.404   6.9408  ?   ?       ?      ? 
1 1 1   -1    9   61 o  205.388   4.8177  287.171   13.399  274.090   18.921  300.332   18.978  200.675   6.9577  210.101   6.6656 -9.425827 9.635326 
1 1 1   -1    9   62 o  261.569   7.0126  465.832   24.857   0.0000   0.0000  465.832   24.857  ?   ?   261.569   7.0126      ?      ? 
1 1 1   -1    9   64 o  252.918   6.1389  446.524   19.820  407.942   33.514  467.275   24.579  243.944   10.138  261.893   6.9255 -17.94939 12.27782 
1 1 1   -1    9   65 o   87.814   6.5070   52.785   7.7418   52.085   10.824   53.518   11.078   87.222   9.1576   88.405   9.2466 -1.183144 13.01392 
1 1 1   -1    9   66 o  173.537   5.7879  201.676   13.043  191.788   16.096  220.584   22.257  167.668   7.0843  179.406   9.1549 -11.73842 11.57581 
1 1 1   -1    9   67 o  163.996   4.9798  182.960   11.014  209.724   16.059  159.189   15.134  175.330   6.7588  152.663   7.3153 22.66701 9.959633 
1 1 1   -1    9   68 o  156.801   4.9972  167.948   10.596  153.581   14.810  183.014   15.166  149.891   7.2909  163.711   6.8360 -13.82089 9.994453 
1 1 1   -1    9   69 o   89.054   7.9464   56.207   8.7966   58.261   10.642   51.776   15.631   92.112   8.5255   85.997   13.413 6.114929 15.89284 
1 1 1   -1    9   70 o   89.057   7.6802   52.972   8.8039   48.816   10.702   61.675   15.486   84.122   9.3876   93.992   12.158 -9.869888 15.36031 
1 1 1   -1    9   71 o   94.817   7.8542   66.812   9.0773   51.902   15.789   74.174   11.094   85.737   13.589  103.896   7.8797 -18.15886 15.70849 
1 1 1   -1    9   72 o  138.309   6.4280  136.537   11.196  120.062   19.173  145.061   13.791  131.197   10.784  145.420   6.9984 -14.22258 12.85598 
1 1 1   -1    9   73 o   95.764   6.9477   63.572   8.6272   62.947   10.728   64.715   14.514   95.465   8.2926   96.062   11.150 -0.5966949 13.89547 
1 1 1   -1    9   74 o   44.609   10.152   14.516   7.1278   8.6992   11.928   17.746   8.8894   40.209   15.494   49.008   13.123 -8.798363 20.30477 
1 1 1   -1    9   75 o   86.109   6.2722   51.632   7.2301   41.721   9.9949   62.510   10.471   77.254   9.5471   94.963   8.1371 -17.70825 12.54432 
1 1 1   -1    9   76 o   69.207   7.1245   33.654   6.6601   30.111   9.2145   37.529   9.6375   65.312   10.411   73.101   9.7287 -7.789085 14.24909 
1 1 1   -1    9   77 f   27.503   8.7778  -3.5560   6.5443  -2.2496   11.317  -4.2124   8.0215   30.702   13.628   24.303   11.067 6.398464 17.55567 
1 1 1   -1    9   78 o   58.474   9.7220   27.042   7.5792   20.265   12.742   30.752   9.4283   51.290   16.303   65.657   10.597 -14.36738 19.44408 
1 1 1   -1    9   79 o  115.267   6.5834   91.464   9.8414  103.130   16.909   85.487   12.103  120.062   10.393  110.472   8.0843 9.590233 13.16670 
1 1 1   -1    9   80 f   48.560   8.8633   18.635   7.3335   0.0012   11.848   30.206   9.3370   32.388   14.175   64.732   10.644 -32.34417 17.72665 
1 1 1   -1    9   81 o   71.869   9.7963   39.957   9.2834   32.023   13.158   47.820   13.099   63.185   15.488   80.553   12.000 -17.36814 19.59261 
1 1 1   -1    9   82 o   84.471   12.519   53.274   14.331   53.274   14.331   0.0000   0.0000   84.471   12.519  ?   ?       ?      ? 
1 1 1   -1    9   83 o   53.090   11.089   20.376   9.4241   7.3835   12.358   38.432   14.569   37.730   15.365   68.449   15.994 -30.71921 22.17876 
1 1 1   -1    9   84 o   39.294   11.031   9.4853   8.6628   9.6337   11.208   9.2651   13.653   38.635   14.982   39.953   16.195 -1.317486 22.06199 
1 1 1   -1    9   85 o   41.633   11.119   12.532   8.7746   16.008   11.014   6.4939   14.517   44.857   15.205   38.410   16.228 6.446724 22.23832 
1 1 1   -1    9   86 o   74.894   16.806   47.783   16.637   0.0000   0.0000   47.783   16.637  ?   ?    74.894   16.806      ?      ? 
1 1 1   -1    9   87 o   46.812   11.712   17.405   9.2781   12.654   12.121   24.128   14.418   41.276   15.688   52.349   17.395 -11.07273 23.42404 
1 1 1   -1    9   88 o   60.103   11.961   31.867   10.070   29.771   13.286   34.695   15.436   58.353   16.218   61.852   17.584 -3.498772 23.92115 
1 1 1   -1    9   89 o   40.193   11.218   9.6295   9.2376   2.1343   11.991   20.573   14.489   32.431   14.226   47.955   17.349 -15.52425 22.43578 
1 1 1   -1    9   90 o   38.935   11.003   7.7752   9.3716  -2.4288   12.437   21.182   14.256   29.956   13.695   47.915   17.226 -17.95890 22.00664 
1 1 1   -1    9   91 o   31.002   9.8862  -1.2358   9.0687   5.6332   12.576  -8.6766   13.089   34.486   14.852   27.518   13.053 6.968081 19.77240 
1 1 1   -1    9   92 o   50.631   11.762   24.907   9.9586   34.644   14.061   15.107   14.106   59.893   16.698   41.369   16.569 18.52366 23.52315 
1 1 1   -1    9   93 o   24.991   8.5202 -11.1898   8.6207 -12.7460   12.270  -9.6731   12.114   24.523   11.889   25.458   12.208 -0.9354534 17.04031 
1 1 1   -1    9   94 o   57.298   17.297   35.090   14.557   35.090   14.557   0.0000   0.0000   57.298   17.297  ?   ?       ?      ? 
1 1 1   -1   10    1 o  223.608   4.4505  338.865   13.480  337.384   18.771  340.442   19.371  223.105   6.2085  224.111   6.3782 -1.006546 8.900942 
1 1 1   -1   10    2 o  395.308   5.5404  1059.51   29.676  1065.69   41.722  1053.18   42.220  396.477   7.7655  394.139   7.9047 2.337769 11.08089 
1 1 1   -1   10    3 o  560.899   6.9913  2133.48   53.137  2167.74   75.444  2099.76   74.854  565.368   9.8472  556.429   9.9271 8.939209 13.98267 
1 1 1   -1   10    4 o  424.378   5.7859  1219.33   33.247  1178.67   45.912  1264.16   48.209  416.952   8.1257  431.804   8.2388 -14.85233 11.57172 
1 1 1   -1   10    5 o  536.344   6.7573  1949.94   49.099  1916.55   68.448  1985.34   70.469  531.618   9.5013  541.070   9.6109 -9.452454 13.51455 
1 1 1   -1   10    6 o  575.812   7.1318  2244.36   55.591  2154.43   76.497  2344.99   80.924  563.617   10.016  588.007   10.156 -24.39081 14.26361 
1 1 1   -1   10    7 o  447.099   5.9731  1355.29   36.187  1349.98   50.803  1360.76   51.556  446.211   8.4017  447.987   8.4925 -1.776062 11.94617 
1 1 1   -1   10    8 o  457.812   7.4700  1426.04   43.840  1408.09   75.169  1435.29   53.970  455.541   12.177  460.082   8.6563 -4.540985 14.93998 
1 1 1   -1   10    9 o  475.157   8.8650  1526.33   56.970  1435.45   77.702  1631.98   83.775  459.924   12.467  490.390   12.606 -30.46640 17.72993 
1 1 1   -1   10   10 o  305.605   10.053  633.449   41.632   0.0000   0.0000  633.449   41.632  ?   ?   305.605   10.053      ?      ? 
1 1 1   -1   10   11 o  205.508   6.1945  286.273   17.251  286.273   17.251   0.0000   0.0000  205.508   6.1945  ?   ?       ?      ? 
1 1 1   -1   10   12 o  275.603   5.4525  513.514   17.618  512.065   20.320  517.899   35.360  274.865   5.4553  276.341   9.4424 -1.476044 10.90501 
1 1 1   -1   10   13 o  375.658   6.2628  964.960   27.712  973.279   32.130  940.797   54.757  378.924   6.2572  372.392   10.851 6.532043 12.52564 
1 1 1   -1   10   14 o  477.141   7.2372  1557.91   40.706  1572.14   47.223  1516.75   80.304  481.555   7.2364  472.727   12.536 8.828400 14.47437 
1 1 1   -1   10   15 o  423.393   6.7015  1217.40   33.281  1218.95   38.434  1212.73   66.540  424.042   6.6884  422.744   11.615 1.297272 13.40310 
1 1 1   -1   10   16 o  412.717   6.6022  1165.57   32.122  1176.34   37.266  1134.43   63.362  416.564   6.6015  408.871   11.436 7.692719 13.20432 
1 1 1   -1   10   17 o  500.663   7.4893  1721.19   44.351  1743.32   51.592  1658.53   86.811  507.069   7.5081  494.257   12.961 12.81192 14.97856 
1 1 1   -1   10   18 o  535.865   7.8195  1949.38   49.191  1950.21   56.822  1946.90   98.275  536.293   7.8186  535.437   13.544 0.8558960 15.63896 
1 1 1   -1   10   19 o  300.236   5.7027  623.384   20.249  636.669   23.606  586.384   39.395  306.472   5.6840  293.999   9.8882 12.47372 11.40542 
1 1 1   -1   10   20 o  346.532   6.0082  810.996   24.504  807.530   28.307  821.357   48.944  345.142   6.0522  347.921   10.381 -2.779266 12.01632 
1 1 1   -1   10   21 o  803.220   10.829  4432.93  102.935  4484.43  119.746  4287.16  201.454  812.886   10.871  793.555   18.733 19.33118 21.65892 
1 1 1   -1   10   22 o  725.760   9.9159  3577.85   84.512  3577.00   97.628  3580.40  168.804  726.082   9.9222  725.439   17.171 0.6434326 19.83177 
1 1 1   -1   10   23 o  408.028   6.5908  1147.04   31.908  1166.56   37.220  1092.94   61.976  414.802   6.6215  401.254   11.398 13.54800 13.18157 
1 1 1   -1   10   24 o  655.210   9.6572  2888.56   80.299  2837.53   97.310  2997.48  142.160  646.537   11.107  663.883   15.802 -17.34613 19.31448 
1 1 1   -1   10   25 o  461.489   8.6686  1444.73   54.211   0.0000   0.0000  1444.73   54.211  ?   ?   461.489   8.6686      ?      ? 
1 1 1   -1   10   26 o  312.599   7.0814  662.654   29.998   0.0000   0.0000  662.654   29.998  ?   ?   312.599   7.0814      ?      ? 
1 1 1   -1   10   27 o  353.718   6.4117  852.435   29.139  837.995   49.673  860.011   35.980  351.343   10.433  356.094   7.4561 -4.751160 12.82335 
1 1 1   -1   10   28 o  407.988   6.8854  1125.39   36.001  1143.47   62.202  1116.28   44.147  410.329   11.186  405.648   8.0309 4.680786 13.77071 
1 1 1   -1   10   29 o  214.873   4.5294  312.808   13.182  325.557   18.956  300.868   18.345  219.110   6.3840  210.637   6.4269 8.473282 9.058705 
1 1 1   -1   10   30 o  269.154   4.7183  491.297   17.209  484.643   24.263  498.034   24.412  267.319   6.6978  270.988   6.6476 -3.669952 9.436638 
1 1 1   -1   10   31 o  214.030   4.5227  310.675   13.117  307.449   18.532  313.914   18.569  212.916   6.4230  215.145   6.3691 -2.228485 9.045403 
1 1 1   -1   10   32 o  275.645   6.7645  515.385   25.268   0.0000   0.0000  515.385   25.268  ?   ?   275.645   6.7645      ?      ? 
1 1 1   -1   10   33 o  345.652   6.4713  818.485   28.527  833.155   35.042  789.664   49.118  350.415   7.3795  340.890   10.633 9.524902 12.94260 
1 1 1   -1   10   34 o  201.176   5.7058  281.270   14.523  294.254   17.848  255.830   24.983  208.279   6.3237  194.072   9.4994 14.20802 11.41168 
1 1 1   -1   10   35 o  104.716   5.0941   74.404   7.2284   75.480   10.277   73.351   10.169  105.465   7.1910  103.967   7.2174 1.498314 10.18828 
1 1 1   -1   10   36 o  285.604   4.8635  553.495   18.823  556.690   26.689  550.333   26.551  286.424   6.8762  284.784   6.8799 1.640259 9.726972 
1 1 1   -1   10   37 o  317.591   5.0622  684.417   21.783  700.672   31.064  668.690   30.555  321.302   7.1344  313.880   7.1835 7.422241 10.12435 
1 1 1   -1   10   39 o  211.534   6.4688  303.664   18.543   0.0000   0.0000  303.664   18.543  ?   ?   211.534   6.4688      ?      ? 
1 1 1   -1   10   40 o  234.838   4.6680  374.299   14.854  368.595   20.941  380.076   21.074  233.036   6.6313  236.640   6.5716 -3.604858 9.335987 
1 1 1   -1   10   41 o  292.146   4.9306  579.294   19.516  563.114   27.360  596.054   27.846  287.991   7.0107  296.301   6.9349 -8.309875 9.861165 
1 1 1   -1   10   42 o  187.191   4.5718  237.842   11.597  234.882   16.331  240.855   16.471  186.016   6.4786  188.367   6.4524 -2.351730 9.143645 
1 1 1   -1   10   44 o  281.210   4.8968  536.918   18.657  523.579   26.165  550.716   26.612  277.655   6.9539  284.765   6.8961 -7.109985 9.793526 
1 1 1   -1   10   45 o  132.657   6.8575  117.823   12.191  145.737   18.504   96.411   16.206  146.335   9.3312  118.980   10.051 27.35484 13.71501 
1 1 1   -1   10   46 o  241.247   6.6391  396.212   21.693  395.965   31.179  396.444   30.203  241.155   9.5408  241.338   9.2350 -0.1825409 13.27824 
1 1 1   -1   10   47 o  161.936   6.6774  178.126   14.653  178.126   14.653   0.0000   0.0000  161.936   6.6774  ?   ?       ?      ? 
1 1 1   -1   10   48 o  138.677   6.8920  130.670   12.952  130.670   12.952   0.0000   0.0000  138.677   6.8920  ?   ?       ?      ? 
1 1 1   -1   10   49 o  197.533   4.6374  265.141   12.410  258.815   17.580  271.426   17.522  195.176   6.6467  199.889   6.4686 -4.712936 9.274771 
1 1 1   -1   10   50 o  133.195   4.8743  120.640   8.7887  119.008   12.674  122.151   12.198  132.316   7.0682  134.073   6.7138 -1.756500 9.748585 
1 1 1   -1   10   51 o  178.581   5.8040  214.657   13.246  209.985   16.146  224.273   23.164  175.770   6.7784  181.391   9.4234 -5.620895 11.60810 
1 1 1   -1   10   52 f  202.760   6.6981  279.656   18.369  256.678   25.366  304.993   26.637  193.999   9.6488  211.521   9.2928 -17.52155 13.39610 
1 1 1   -1   10   53 o  198.198   5.8394  272.629   14.683  252.456   25.243  282.945   18.051  192.365   9.6836  204.031   6.5287 -11.66609 11.67889 
1 1 1   -1   10   54 o  119.202   5.2229   96.998   8.4080   89.689   12.054  103.925   11.734  114.788   7.7490  123.615   7.0047 -8.826843 10.44577 
1 1 1   -1   10   55 o   70.461   7.6149   35.691   6.8167   26.100   10.011   43.982   9.3079   60.588   12.603   80.335   8.5500 -19.74676 15.22979 
1 1 1   -1   10   56 o  368.089   5.5587  922.767   27.726  911.900   39.232  933.609   39.188  365.912   7.9119  370.266   7.8102 -4.354218 11.11743 
1 1 1   -1   10   57 o  347.807   7.7367  823.870   36.465  823.870   36.465   0.0000   0.0000  347.807   7.7367  ?   ?       ?      ? 
1 1 1   -1   10   58 o  288.888   7.2466  568.142   28.369  568.142   28.369   0.0000   0.0000  288.888   7.2466  ?   ?       ?      ? 
1 1 1   -1   10   59 o  112.981   5.5618   87.046   8.4989   86.141   12.373   87.855   11.694  112.403   8.1233  113.559   7.5990 -1.156403 11.12351 
1 1 1   -1   10   60 o   68.060   7.6036   31.945   6.7766   39.211   10.048   25.883   9.1784   75.708   9.7936   60.411   11.634 15.29704 15.20715 
1 1 1   -1   10   61 o   87.969   9.1054   63.235   8.8760   34.876   15.379   77.400   10.869   69.383   16.582  106.555   7.5271 -37.17164 18.21079 
1 1 1   -1   10   62 o  141.535   6.1857  130.133   11.127  156.576   20.225  118.654   13.325  151.162   9.8732  131.907   7.4546 19.25526 12.37138 
1 1 1   -1   10   63 o  185.276   4.9284  234.014   12.317  205.211   17.151  264.693   17.700  173.448   7.2967  197.104   6.6267 -23.65533 9.856702 
1 1 1   -1   10   64 o  106.938   6.6549   77.687   9.3835   75.299   11.882   81.644   15.295  104.912   8.3577  108.964   10.358 -4.051384 13.30974 
1 1 1   -1   10   65 o  137.576   6.1538  129.055   11.040  127.291   13.803  132.188   18.391  136.485   7.4629  138.666   9.7868 -2.180847 12.30760 
1 1 1   -1   10   66 o  133.383   5.3143  121.076   9.5486  141.039   14.010  103.757   13.049  143.652   7.1968  123.115   7.8212 20.53699 10.62853 
1 1 1   -1   10   67 f  165.830   6.1959  187.781   13.052  185.549   15.863  192.460   22.966  164.712   7.1067  166.947   10.151 -2.235016 12.39176 
1 1 1   -1   10   68 o  144.874   5.1460  143.792   10.095  136.681   14.224  151.010   14.329  141.230   7.4320  148.517   7.1198 -7.287048 10.29205 
1 1 1   -1   10   69 o   52.162   10.195   19.437   7.3092   17.496   9.3350   22.514   11.750   49.026   13.583   55.299   15.207 -6.273346 20.38965 
1 1 1   -1   10   70 o   70.519   9.8769   35.315   9.2205   50.346   13.934   23.604   12.298   84.640   12.148   56.398   15.577 28.24216 19.75389 
1 1 1   -1   10   71 o  153.180   6.2278  166.805   12.066  149.390   20.608  175.889   14.884  146.293   10.395  160.068   6.8615 -13.77478 12.45568 
1 1 1   -1   10   72 o   78.383   6.7384   43.418   6.9940   33.177   9.9126   53.571   9.8695   68.779   10.635   87.987   8.2774 -19.20844 13.47683 
1 1 1   -1   10   73 f   51.946   8.8040   19.868   6.1531   23.861   8.9293   16.258   8.4909   57.006   11.941   46.887   12.940 10.11893 17.60802 
1 1 1   -1   10   74 o  104.026   5.6533   75.150   7.9609   71.239   11.259   79.062   11.258  101.251   8.2054  106.801   7.7789 -5.549423 11.30663 
1 1 1   -1   10   75 o  120.974   6.5397   98.832   10.144  114.857   17.971   91.338   12.289  127.337   10.415  114.611   7.9125 12.72605 13.07936 
1 1 1   -1   10   76 o  108.214   6.6839   79.734   9.3490   92.322   16.265   73.524   11.425  113.846   10.543  102.583   8.2184 11.26281 13.36780 
1 1 1   -1   10   77 o   49.614   10.446   18.618   7.2798   20.043   12.497   17.886   8.9564   50.805   16.145   48.424   13.260 2.381248 20.89181 
1 1 1   -1   10   78 o   91.869   7.6229   61.509   8.9067   58.712   15.250   62.957   10.973   89.244   12.610   94.493   8.5689 -5.248734 15.24586 
1 1 1   -1   10   79 o   57.684   8.9731   29.510   7.8500   4.7425   12.864   44.205   9.9089   36.597   15.359   78.770   9.2829 -42.17234 17.94616 
1 1 1   -1   10   80 o  112.098   8.4578   89.980   12.637   76.153   16.209  111.408   20.179  101.614   11.771  122.581   12.148 -20.96690 16.91565 
1 1 1   -1   10   81 o   56.495   15.737   26.148   12.496   26.148   12.496   0.0000   0.0000   56.495   15.737  ?   ?       ?      ? 
1 1 1   -1   10   82 o   30.929   9.7801  -3.5365   8.3528  -8.9325   10.789   4.5374   13.197   25.615   12.059   36.242   15.400 -10.62722 19.56014 
1 1 1   -1   10   83 o   33.864   10.289  -0.0006   8.5064  -6.4549   10.782   10.638   13.843   26.735   12.411   40.993   16.415 -14.25760 20.57886 
1 1 1   -1   10   84 o   40.268   10.625   4.9836   8.6819  -6.9221   10.955   25.087   14.235   26.657   12.420   53.879   17.243 -27.22191 21.25004 
1 1 1   -1   10   85 o   49.569   17.797   21.093   15.212   0.0000   0.0000   21.093   15.212  ?   ?    49.569   17.797      ?      ? 
1 1 1   -1   10   86 o   39.065   16.147   9.0386   13.907   0.0000   0.0000   9.0386   13.907  ?   ?    39.065   16.147      ?      ? 
1 1 1   -1   10   87 o   40.678   11.142   12.499   8.8971   15.464   11.187   7.3970   14.677   43.286   15.292   38.070   16.210 5.216358 22.28478 
1 1 1   -1   10   88 f   45.569   16.045   18.141   12.307   18.141   12.307   0.0000   0.0000   45.569   16.045  ?   ?       ?      ? 
1 1 1   -1   10   89 f   41.261   11.115   13.058   9.2471   21.659   12.871   3.8821   13.294   48.422   16.437   34.100   14.968 14.32225 22.23067 
1 1 1   -1   10   90 o   32.265   10.096   2.5311   8.8055   5.7198   12.116  -1.0384   12.819   33.987   14.606   30.544   13.941 3.443775 20.19126 
1 1 1   -1   10   91 o   31.999   10.114   2.3239   9.0118  -0.6432   12.549   5.4838   12.950   30.101   13.760   33.897   14.828 -3.795977 20.22885 
1 1 1   -1   10   92 o   45.383   11.962   21.128   9.9634   16.156   13.608   26.872   14.628   40.961   16.318   49.804   17.496 -8.842396 23.92478 
1 1 1   -1   11    1 o  400.670   6.9281  1088.45   35.236  1087.39   42.879  1090.66   61.836  400.451   7.9015  400.889   11.382 -0.4382629 13.85617 
1 1 1   -1   11    2 o  430.630   7.2324  1251.60   39.399  1240.14   47.699  1276.21   69.895  427.640   8.2309  433.620   11.895 -5.979492 14.46490 
1 1 1   -1   11    3 o  469.050   7.6380  1460.95   44.845  1412.31   53.513  1575.65   82.184  456.341   8.6535  481.760   12.589 -25.41888 15.27594 
1 1 1   -1   11    4 o  484.163   7.7900  1590.30   47.893  1589.57   58.309  1591.82   83.965  484.117   8.8879  484.208   12.796 -0.9042358E-01 15.58007 
1 1 1   -1   11    5 o  413.109   6.9998  1148.70   36.698  1132.35   44.505  1183.43   64.866  408.638   8.0368  417.581   11.463 -8.942596 13.99953 
1 1 1   -1   11    6 o  399.036   6.8780  1078.97   34.903  1076.69   42.536  1083.66   61.068  398.474   7.8771  399.597   11.277 -1.122955 13.75606 
1 1 1   -1   11    7 o  358.500   6.5033  870.763   29.635  868.885   36.097  874.646   51.902  357.974   7.4411  359.025   10.668 -1.051239 13.00657 
1 1 1   -1   11    8 o  355.757   6.5086  861.873   29.464  868.431   36.016  848.602   51.233  357.879   7.4263  353.635   10.691 4.244629 13.01710 
1 1 1   -1   11    9 o  240.848   5.6527  392.418   17.294  390.644   21.041  396.113   30.363  240.046   6.4683  241.651   9.2722 -1.604416 11.30540 
1 1 1   -1   11   10 o  285.042   5.9294  547.825   21.427  542.056   25.982  560.088   37.881  282.756   6.7808  287.327   9.7288 -4.571014 11.85875 
1 1 1   -1   11   11 o  413.189   11.529  1158.86   64.554   0.0000   0.0000  1158.86   64.554  ?   ?   413.189   11.529      ?      ? 
1 1 1   -1   11   12 o  330.321   6.3290  748.142   26.697  764.845   32.875  715.793   45.751  335.858   7.2231  324.785   10.395 11.07248 12.65806 
1 1 1   -1   11   13 o  365.538   6.5777  902.008   30.686  893.398   37.456  919.581   53.511  362.970   7.6150  368.105   10.727 -5.134583 13.15535 
1 1 1   -1   11   14 f  309.387   10.130  649.506   42.472  649.506   42.472   0.0000   0.0000  309.387   10.130  ?   ?       ?      ? 
1 1 1   -1   11   15 o  404.738   8.0251  1110.97   44.015  1110.97   44.015   0.0000   0.0000  404.738   8.0251  ?   ?       ?      ? 
1 1 1   -1   11   16 o  345.034   6.4209  802.923   28.190  794.125   34.298  821.238   49.488  342.209   7.3959  347.859   10.498 -5.649597 12.84183 
1 1 1   -1   11   17 o  276.010   5.8828  516.469   20.751  515.947   25.416  517.514   35.936  275.849   6.7991  276.171   9.6022 -0.3212280 11.76561 
1 1 1   -1   11   18 o  288.935   5.9701  566.326   22.043  566.380   27.005  566.218   38.159  289.011   6.8951  288.861   9.7481 0.1500854 11.94023 
1 1 1   -1   11   19 o  285.897   5.9588  552.503   21.758  548.628   26.594  560.350   37.840  284.441   6.8994  287.353   9.7174 -2.911774 11.91757 
1 1 1   -1   11   20 f  185.584   5.2846  237.977   11.693  243.044   13.691  224.317   22.479  189.348   5.3357  181.821   9.1234 7.526413 10.56911 
1 1 1   -1   11   21 f  323.197   6.2926  715.768   26.215  732.239   32.608  685.669   44.080  328.580   7.3232  317.814   10.235 10.76596 12.58516 
1 1 1   -1   11   22 f  230.160   5.6698  358.506   16.874  356.513   20.908  362.229   28.576  229.285   6.7290  231.034   9.1273 -1.748215 11.33961 
1 1 1   -1   11   23 o  305.191   5.8219  648.221   21.054  666.587   24.617  598.195   40.628  313.551   5.7935  296.830   10.100 16.72086 11.64384 
1 1 1   -1   11   24 o   78.276   7.2529   45.369   6.5515   49.861   7.8595   35.138   11.860   85.743   6.7642   70.809   12.832 14.93353 14.50589 
1 1 1   -1   11   25 o  247.664   5.8753  428.906   18.852  467.262   24.077  368.125   30.308  262.474   6.7690  232.853   9.6050 29.62048 11.75059 
1 1 1   -1   11   26 o  355.189   6.1202  850.010   25.561  843.730   29.493  868.962   51.236  352.723   6.1703  357.654   10.571 -4.930725 12.24031 
1 1 1   -1   11   27 o  452.944   6.9918  1374.22   36.987  1356.01   42.476  1431.35   75.225  447.090   7.0109  458.798   12.099 -11.70825 13.98368 
1 1 1   -1   11   28 o  322.191   5.0997  704.086   22.261  724.321   31.775  684.579   31.198  326.738   7.1763  317.644   7.2476 9.094269 10.19941 
1 1 1   -1   11   29 o  465.731   7.5995  1481.02   45.257  1494.83   55.617  1453.93   77.862  469.209   8.7470  462.253   12.430 6.955750 15.19900 
1 1 1   -1   11   30 o  334.489   6.3327  756.009   26.982  748.722   32.874  771.051   47.230  332.161   7.3033  336.817   10.348 -4.655304 12.66547 
1 1 1   -1   11   31 o  364.073   5.3822  898.759   26.539  938.400   38.213  861.820   36.887  371.823   7.5838  356.324   7.6392 15.49908 10.76441 
1 1 1   -1   11   32 o  220.256   4.6010  328.946   13.727  316.596   19.164  341.960   19.673  216.011   6.5468  224.501   6.4664 -8.489960 9.201954 
1 1 1   -1   11   33 o  425.661   8.2903  1230.54   47.821   0.0000   0.0000  1230.54   47.821  ?   ?   425.661   8.2903      ?      ? 
1 1 1   -1   11   34 f  336.367   5.1812  767.670   23.609  795.952   33.804  740.737   32.988  342.416   7.2850  330.319   7.3695 12.09753 10.36243 
1 1 1   -1   11   35 o  185.872   4.5273  234.381   11.398  244.936   16.264  224.195   15.978  189.987   6.3172  181.758   6.4869 8.229294 9.054635 
1 1 1   -1   11   36 o  154.002   4.5761  160.935   9.5485  165.016   13.592  156.959   13.417  155.930   6.4323  152.073   6.5105 3.857285 9.152150 
1 1 1   -1   11   37 o  137.068   4.7231  127.493   8.7580  137.873   12.537  117.599   12.240  142.523   6.4911  131.614   6.8627 10.90907 9.446187 
1 1 1   -1   11   38 o  195.956   4.6156  260.541   12.249  248.056   17.139  273.577   17.513  191.155   6.6163  200.758   6.4373 -9.603119 9.231204 
1 1 1   -1   11   40 o  341.398   7.4830  791.831   34.620   0.0000   0.0000  791.831   34.620  ?   ?   341.398   7.4830      ?      ? 
1 1 1   -1   11   41 o  367.293   5.4835  916.698   27.291  932.157   38.825  901.599   38.370  370.357   7.7358  364.230   7.7738 6.126617 10.96702 
1 1 1   -1   11   42 o  220.769   6.6423  331.960   19.859  323.538   28.338  340.087   27.840  217.994   9.5928  223.543   9.1900 -5.549637 13.28450 
1 1 1   -1   11   43 o  137.040   5.7744  125.177   10.329  118.788   12.826  136.966   17.422  132.222   7.1581  141.859   9.0629 -9.637085 11.54877 
1 1 1   -1   11   44 o  192.971   4.6553  252.801   12.163  237.943   16.998  268.388   17.410  187.156   6.7021  198.787   6.4631 -11.63086 9.310684 
1 1 1   -1   11   45 o   97.502   5.4925   64.727   7.2466   62.702   10.427   66.618   10.078   96.014   8.0139   98.989   7.5130 -2.975090 10.98491 
1 1 1   -1   11   46 o  230.797   4.7548  361.935   14.869  362.068   21.230  361.808   20.830  230.832   6.7870  230.761   6.6611 0.7080078E-01 9.509678 
1 1 1   -1   11   47 o  245.812   4.8034  410.651   15.986  387.598   22.454  434.343   22.763  238.801   6.9388  252.824   6.6440 -14.02275 9.606717 
1 1 1   -1   11   48 o  180.773   5.7378  212.416   13.298  193.743   16.063  253.088   23.706  168.816   7.0214  192.731   9.0768 -23.91505 11.47556 
1 1 1   -1   11   49 o  319.939   6.4077  703.862   26.304  717.740   32.534  677.668   44.696  324.842   7.3906  315.036   10.470 9.805817 12.81534 
1 1 1   -1   11   50 o  315.694   6.2974  674.550   25.307  692.816   44.413  665.768   30.796  318.531   10.289  312.857   7.2638 5.674103 12.59477 
1 1 1   -1   11   51 o  134.506   10.155  123.548   18.510  123.548   18.510   0.0000   0.0000  134.506   10.155  ?   ?       ?      ? 
1 1 1   -1   11   52 f  164.773   4.8938  185.179   10.889  168.326   15.467  201.739   15.332  157.288   7.2564  172.258   6.5681 -14.96939 9.787536 
1 1 1   -1   11   53 o  239.392   4.8870  389.750   15.851  393.299   22.692  386.370   22.150  240.448   6.9642  238.335   6.8580 2.113281 9.774084 
1 1 1   -1   11   54 o  145.889   5.0063  144.797   9.8870  145.440   14.331  144.214   13.658  146.184   7.2343  145.594   6.9224 0.5898895 10.01269 
1 1 1   -1   11   55 o  141.483   5.0419  136.187   9.6597  137.650   13.962  134.845   13.379  142.201   7.2454  140.765   7.0135 1.435699 10.08385 
1 1 1   -1   11   56 o  118.092   5.3437   94.844   8.5370   97.430   12.507   92.588   11.681  119.583   7.7180  116.600   7.3929 2.983047 10.68745 
1 1 1   -1   11   57 o  109.923   5.5507   82.118   8.2534   86.474   12.128   78.360   11.264  112.622   7.9464  107.224   7.7523 5.398254 11.10145 
1 1 1   -1   11   58 o  109.451   5.6313   81.872   8.3259   79.329   12.157   84.120   11.426  107.813   8.3207  111.088   7.5904 -3.274681 11.26263 
1 1 1   -1   11   59 o  240.908   9.9491  397.599   32.480  397.599   32.480   0.0000   0.0000  240.908   9.9491  ?   ?       ?      ? 
1 1 1   -1   11   60 o   90.035   6.4080   55.413   7.8040   56.400   11.429   54.551   10.682   90.763   9.2926   89.307   8.8260 1.455383 12.81605 
1 1 1   -1   11   61 o  151.176   5.1318  156.591   10.441  135.455   14.751  177.816   14.781  140.838   7.7287  161.513   6.7534 -20.67540 10.26359 
1 1 1   -1   11   62 f  101.089   5.9240   69.913   8.1067   70.565   11.760   69.322   11.191  101.517   8.5482  100.661   8.2038 0.8567429 11.84794 
1 1 1   -1   11   63 o   60.382   9.8315   25.506   7.7425   21.795   9.8576   31.481   12.509   54.880   13.377   65.884   14.412 -11.00379 19.66300 
1 1 1   -1   11   64 o  160.653   7.1897  176.449   15.652  176.449   15.652   0.0000   0.0000  160.653   7.1897  ?   ?       ?      ? 
1 1 1   -1   11   65 o  173.637   7.2910  206.367   17.156  206.367   17.156   0.0000   0.0000  173.637   7.2910  ?   ?       ?      ? 
1 1 1   -1   11   66 o  128.674   7.8332  132.831   11.574   73.216   19.455  165.484   14.398  101.834   14.098  155.514   6.8322 -53.68070 15.66637 
1 1 1   -1   11   67 o   79.103   6.7741   42.948   7.2124   50.618   10.696   36.552   9.7670   85.588   9.2220   72.618   9.9250 12.96940 13.54811 
1 1 1   -1   11   68 o   69.706   7.1662   33.623   6.7502   37.230   9.9282   30.522   9.2052   73.187   10.011   66.225   10.257 6.961525 14.33249 
1 1 1   -1   11   69 o  101.482   7.1657   74.189   9.0520   65.359   15.817   78.489   11.038   96.217   12.131  106.746   7.6308 -10.52898 14.33147 
1 1 1   -1   11   70 o   62.350   9.6812   27.820   7.4998   31.744   13.481   26.061   9.0255   64.832   15.545   59.867   11.543 4.965076 19.36235 
1 1 1   -1   11   71 o   94.007   5.9426   61.430   7.5593   59.244   10.853   63.490   10.535   92.306   8.6764   95.708   8.1226 -3.402130 11.88516 
1 1 1   -1   11   72 f   82.687   6.5757   48.356   7.2609   39.581   10.348   56.868   10.191   74.953   10.188   90.421   8.3170 -15.46813 13.15137 
1 1 1   -1   11   73 o   43.930   9.6027   14.742   7.0408   2.1771   12.215   20.994   8.6161   34.808   14.804   53.051   12.235 -18.24296 19.20547 
1 1 1   -1   11   74 o  116.929   6.6517   96.494   10.007   96.197   17.000   96.652   12.380  116.053   10.809  117.804   7.7548 -1.751411 13.30340 
1 1 1   -1   11   75 o   71.331   9.3141   42.441   8.1264   24.877   13.308   52.884   10.262   55.980   16.453   86.682   8.7360 -30.70195 18.62827 
1 1 1   -1   11   76 o   44.187   10.391   13.562   6.9607   18.937   12.110   10.910   8.5062   49.304   15.917   39.069   13.362 10.23442 20.78173 
1 1 1   -1   11   77 o   77.824   10.138   46.921   10.368   50.073   14.085   43.193   15.317   82.137   12.654   73.511   15.843 8.625481 20.27612 
1 1 1   -1   11   78 o   61.453   11.479   30.973   9.6695   31.530   12.906   30.260   14.600   62.603   15.334   60.303   17.086 2.299961 22.95830 
1 1 1   -1   11   79 o   53.427   11.827   22.271   9.4113   16.867   11.964   31.041   15.242   46.371   15.847   60.484   17.560 -14.11302 23.65313 
1 1 1   -1   11   80 o   41.852   15.264   12.862   11.249   12.862   11.249   0.0000   0.0000   41.852   15.264  ?   ?       ?      ? 
1 1 1   -1   11   81 o   33.955   10.357   2.8795   8.4702   3.9288   10.584   1.0104   14.125   33.144   13.922   34.766   15.338 -1.621845 20.71405 
1 1 1   -1   11   82 o   43.825   11.209   14.847   9.1403   20.610   11.504   4.9788   15.053   49.892   15.438   37.757   16.254 12.13458 22.41733 
1 1 1   -1   11   83 o   57.881   11.299   30.000   9.6848   37.380   12.458   18.729   15.397   68.147   13.960   47.615   17.771 20.53170 22.59809 
1 1 1   -1   11   84 o   27.031   8.9413  -7.8079   7.9591 -11.0524   10.298  -2.9955   12.542   23.657   11.320   30.405   13.843 -6.748789 17.88251 
1 1 1   -1   11   85 o   45.596   17.308   17.442   14.743   0.0000   0.0000   17.442   14.743  ?   ?    45.596   17.308      ?      ? 
1 1 1   -1   11   86 o   33.599   10.384   3.1582   8.8104   2.5177   11.389   4.1127   13.903   32.008   13.957   35.190   15.380 -3.181767 20.76825 
1 1 1   -1   11   87 o   35.229   10.616   4.5430   8.9532  -1.3284   11.666   12.958   13.966   29.653   13.442   40.806   16.436 -11.15266 21.23280 
1 1 1   -1   11   88 o   32.793   10.267   2.8353   9.0554   4.6097   12.373   0.7885   13.288   33.553   14.590   32.032   14.450 1.521011 20.53406 
1 1 1   -1   11   89 o   36.716   10.675   8.3452   9.1980   17.134   12.610  -1.6483   13.446   42.913   16.069   30.518   14.058 12.39524 21.35049 
1 1 1   -1   11   90 o   33.940   10.534   5.1715   9.3899   0.1998   12.800   10.965   13.817   30.445   13.909   37.435   15.825 -6.989607 21.06849 
1 1 1   -1   11   91 o   46.439   12.171   23.833   10.184   24.197   14.035   23.429   14.799   47.002   17.065   45.875   17.359 1.127743 24.34187 
1 1 1   -1   12    1 o  165.507   4.5959  186.025   10.288  191.571   14.246  179.980   14.872  168.093   6.2540  162.920   6.7363 5.173019 9.191828 
1 1 1   -1   12    2 f  391.212   5.5955  1036.97   29.645  1008.64   41.036  1067.90   42.873  385.631   7.8526  396.793   7.9732 -11.16205 11.19092 
1 1 1   -1   12    3 o  543.212   6.8933  2000.66   50.718  2084.37   72.928  1922.23   70.583  554.211   9.7104  532.213   9.7866 21.99817 13.78654 
1 1 1   -1   12    4 o  227.461   4.6875  350.933   14.436  353.655   20.033  347.993   20.819  228.382   6.4730  226.539   6.7817 1.843048 9.375037 
1 1 1   -1   12    5 o  417.527   5.8138  1181.65   32.879  1155.33   45.641  1210.05   47.405  412.701   8.1609  422.353   8.2826 -9.652588 11.62764 
1 1 1   -1   12    6 o  708.451   8.4525  3405.71   81.103  3314.82  112.421  3504.35  117.117  698.615   11.875  718.287   12.032 -19.67249 16.90507 
1 1 1   -1   12    7 o  571.935   7.1499  2220.32   55.413  2238.42   78.316  2202.18   78.416  574.274   10.064  569.597   10.159 4.676941 14.29972 
1 1 1   -1   12    8 o  407.500   5.7445  1126.43   31.716  1125.88   44.401  1126.99   45.319  407.405   8.0423  407.595   8.2049 -0.1902466 11.48905 
1 1 1   -1   12    9 o  484.191   6.3819  1590.83   41.871  1617.25   59.275  1564.52   59.154  488.208   8.9596  480.174   9.0908 8.034180 12.76385 
1 1 1   -1   12   10 o  233.294   4.7374  368.767   14.963  362.565   20.637  375.640   21.725  231.232   6.5860  235.357   6.8116 -4.126007 9.474892 
1 1 1   -1   12   11 o  439.620   6.0095  1311.31   35.797  1335.77   50.678  1286.96   50.573  443.716   8.4281  435.524   8.5688 8.192047 12.01900 
1 1 1   -1   12   12 o  603.899   9.1078  2451.12   69.639  2402.70   84.175  2556.15  123.972  594.876   10.442  612.921   14.926 -18.04535 18.21561 
1 1 1   -1   12   13 o  470.106   7.2703  1512.15   40.160  1524.13   46.501  1477.01   79.666  474.039   7.2388  466.172   12.611 7.866821 14.54068 
1 1 1   -1   12   14 o  486.784   7.3698  1578.98   41.535  1552.05   47.459  1667.11   85.852  478.349   7.3213  495.220   12.793 -16.87106 14.73970 
1 1 1   -1   12   15 o  236.435   5.4473  380.129   15.093  381.023   17.427  377.447   30.191  237.065   5.4247  235.805   9.4481 1.260361 10.89468 
1 1 1   -1   12   16 o  189.053   5.6734  245.159   13.789  251.211   17.109  233.943   23.292  192.462   6.5600  185.645   9.2583 6.816803 11.34682 
1 1 1   -1   12   17 o  326.109   6.3343  721.637   26.413  721.208   32.373  722.491   45.680  326.060   7.3267  326.159   10.335 -0.9893799E-01 12.66861 
1 1 1   -1   12   18 o  311.642   5.8246  648.498   21.211  638.469   24.351  680.037   43.182  306.848   5.8562  316.436   10.070 -9.588562 11.64917 
1 1 1   -1   12   19 o  132.888   6.7030  131.859   10.860  158.159   13.672   86.912   17.874  152.702   6.6072  113.074   11.665 39.62802 13.40595 
1 1 1   -1   12   20 o  218.922   6.7015  325.096   19.881  325.096   19.881   0.0000   0.0000  218.922   6.7015  ?   ?       ?      ? 
1 1 1   -1   12   21 o  347.901   6.1773  808.344   24.816  796.493   28.337  847.341   51.404  342.694   6.1019  353.108   10.743 -10.41449 12.35460 
1 1 1   -1   12   22 o  370.634   6.7830  952.332   32.502  1003.27   40.929  865.384   53.475  384.478   7.8556  356.791   11.060 27.68698 13.56591 
1 1 1   -1   12   23 o  305.291   5.7732  625.175   20.693  617.793   23.834  647.783   41.709  301.813   5.8273  308.769   9.9681 -6.955566 11.54643 
1 1 1   -1   12   24 o  272.046   5.5801  498.878   17.858  495.368   20.612  509.444   35.762  270.263   5.6279  273.830   9.6373 -3.567505 11.16021 
1 1 1   -1   12   25 o  271.578   6.9805  500.486   25.690  500.486   25.690   0.0000   0.0000  271.578   6.9805  ?   ?       ?      ? 
1 1 1   -1   12   26 o  109.388   6.1118   81.173   9.0599   81.173   9.0599   0.0000   0.0000  109.388   6.1118  ?   ?       ?      ? 
1 1 1   -1   12   27 o  214.732   5.2795  310.041   13.420  306.965   15.529  319.115   26.672  212.744   5.3863  216.720   9.0819 -3.976089 10.55899 
1 1 1   -1   12   28 o  251.096   5.4352  428.570   16.180  429.089   18.790  427.081   31.826  251.517   5.5128  250.676   9.3687 0.8401337 10.87036 
1 1 1   -1   12   29 o  245.793   5.4163  411.004   15.821  411.854   18.400  408.596   30.987  246.408   5.5103  245.178   9.3265 1.229446 10.83266 
1 1 1   -1   12   30 f  105.567   5.7638   75.167   7.4625   74.454   8.8204   76.960   13.998  104.749   6.2138  106.385   9.7095 -1.635696 11.52764 
1 1 1   -1   12   31 o   72.087   7.2610   35.611   6.7735   36.237   8.4524   34.487   11.324   73.025   8.5413   71.148   11.744 1.877167 14.52194 
1 1 1   -1   12   32 o   57.689   7.4622   23.226   5.6734   20.335   8.1516   25.941   7.9011   53.616   11.559   61.762   9.4403 -8.145191 14.92445 
1 1 1   -1   12   33 o  212.419   4.6037  306.285   13.252  307.862   18.763  304.716   18.719  212.965   6.5015  211.872   6.5195 1.092117 9.207312 
1 1 1   -1   12   34 o  132.513   4.7674  119.216   8.5603  117.080   12.065  121.382   12.148  131.316   6.7797  133.710   6.7044 -2.393661 9.534858 
1 1 1   -1   12   35 o  281.417   4.8816  537.735   18.615  532.261   26.142  543.365   26.513  279.966   6.8906  282.869   6.9166 -2.902924 9.763124 
1 1 1   -1   12   36 o  170.507   4.6286  197.359   10.692  190.687   15.015  204.222   15.228  167.580   6.6117  173.433   6.4794 -5.852493 9.257286 
1 1 1   -1   12   37 o  221.245   4.6501  332.382   13.941  336.646   19.769  328.164   19.663  222.658   6.5519  219.831   6.6006 2.826447 9.300286 
1 1 1   -1   12   38 o  255.107   6.7902  442.147   23.445  462.680   34.207  423.957   32.197  260.670   9.6838  249.544   9.5212 11.12592 13.58043 
1 1 1   -1   12   39 o  310.290   7.2152  655.847   30.329  665.135   43.578  647.122   42.236  312.405   10.293  308.176   10.114 4.228516 14.43049 
1 1 1   -1   12   40 o  134.668   5.8807  121.876   10.303  118.217   12.793  128.630   17.382  131.895   7.1577  137.441   9.3326 -5.545715 11.76134 
1 1 1   -1   12   41 o  225.622   4.6974  345.854   14.361  340.687   20.332  350.999   20.286  223.935   6.7000  227.309   6.5858 -3.374008 9.394839 
1 1 1   -1   12   42 o   88.427   5.7484   53.232   6.8761   52.605   9.9941   53.796   9.4752   87.921   8.3882   88.934   7.8621 -1.012985 11.49674 
1 1 1   -1   12   43 f  156.809   4.7696  167.046   10.134  170.041   14.486  164.176   14.181  158.184   6.7579  155.434   6.7326 2.750244 9.539226 
1 1 1   -1   12   44 o  253.296   4.8321  436.028   16.580  419.282   23.301  453.202   23.596  248.360   6.9232  258.232   6.7429 -9.872162 9.664205 
1 1 1   -1   12   45 o  211.663   5.7208  298.095   15.513  284.859   18.865  325.728   27.259  204.712   6.8004  218.615   9.2012 -13.90257 11.44150 
1 1 1   -1   12   46 o   53.954   9.8957   19.407   7.1396   15.218   8.9140   26.903   11.924   46.569   13.402   61.339   14.563 -14.77039 19.79148 
1 1 1   -1   12   47 o  125.071   6.2147  109.322   9.8117   98.832   16.911  114.645   12.047  120.291   10.374  129.850   6.8460 -9.558784 12.42945 
1 1 1   -1   12   48 o  100.626   7.1345   71.765   8.9181   62.291   15.631   76.337   10.859   95.344   12.098  105.909   7.5662 -10.56454 14.26899 
1 1 1   -1   12   49 o   99.547   7.6929   73.115   9.2159   55.263   16.300   81.504   11.173   89.667   13.414  109.428   7.5347 -19.76069 15.38572 
1 1 1   -1   12   50 o  145.686   5.1035  144.076   10.059  150.531   14.745  138.456   13.759  148.722   7.3162  142.649   7.1174 6.072601 10.20703 
1 1 1   -1   12   51 o  193.365   4.8500  254.587   12.697  246.887   18.158  261.956   17.762  190.481   7.0346  196.249   6.6787 -5.768051 9.700046 
1 1 1   -1   12   52 o  195.867   4.8338  261.196   12.819  256.009   18.396  266.094   17.875  193.956   6.9989  197.779   6.6692 -3.823349 9.667579 
1 1 1   -1   12   53 o  198.263   4.8376  268.002   12.973  253.072   18.536  282.334   18.161  192.809   7.0943  203.718   6.5787 -10.90884 9.675134 
1 1 1   -1   12   54 o  137.893   5.1998  129.413   9.6927  131.035   14.254  128.018   13.219  138.673   7.5853  137.113   7.1145 1.559418 10.39968 
1 1 1   -1   12   55 o  212.797   4.8891  307.786   14.078  318.529   20.585  298.344   19.297  216.263   7.0239  209.332   6.8027 6.931183 9.778170 
1 1 1   -1   12   56 o   82.717   8.1181   43.925   8.4191   55.388   15.830   39.404   9.9417   89.568   13.042   75.865   9.6702 13.70272 16.23625 
1 1 1   -1   12   57 o  217.345   7.1181  322.018   20.965  322.018   20.965   0.0000   0.0000  217.345   7.1181  ?   ?       ?      ? 
1 1 1   -1   12   58 o  144.177   5.1968  142.294   10.120  133.098   14.582  150.838   14.056  139.618   7.7069  148.735   6.9737 -9.116501 10.39368 
1 1 1   -1   12   59 o  111.282   5.7177   85.269   8.5569   78.305   12.559   91.304   11.690  106.936   8.6664  115.628   7.4607 -8.692223 11.43544 
1 1 1   -1   12   60 o   89.252   6.5767   55.646   7.8121   46.403   11.471   63.641   10.669   82.084   10.312   96.420   8.1653 -14.33558 13.15332 
1 1 1   -1   12   61 o  191.260   7.0822  251.704   18.337  268.188   26.442  236.432   25.451  197.324   9.8887  185.196   10.141 12.12849 14.16447 
1 1 1   -1   12   62 o  112.381   11.789   87.779   17.954   87.779   17.954   0.0000   0.0000  112.381   11.789  ?   ?       ?      ? 
1 1 1   -1   12   63 o   94.650   6.2045   61.576   7.9403   62.743   11.670   60.570   10.835   95.441   9.0233   93.858   8.5185 1.583908 12.40903 
1 1 1   -1   12   64 o  182.335   4.9764  228.027   12.280  220.720   17.636  234.904   17.109  179.434   7.2529  185.236   6.8157 -5.801422 9.952812 
1 1 1   -1   12   65 o   57.887   8.6805   24.570   6.6857   19.392   9.9635   28.811   9.0171   51.406   13.948   64.368   10.337 -12.96118 17.36094 
1 1 1   -1   12   66 o   92.597   6.1374   59.341   7.6681   58.616   11.341   59.951   10.408   91.984   9.0984   93.210   8.2396 -1.226044 12.27485 
1 1 1   -1   12   67 o  100.197   5.9693   69.797   8.0631   64.915   11.730   74.171   11.102   96.730   8.9486  103.664   7.9029 -6.933487 11.93868 
1 1 1   -1   12   68 o   38.629   10.299   7.2119   6.7963   13.341   12.738   4.7728   8.0356   45.081   16.274   32.177   12.627 12.90335 20.59827 
1 1 1   -1   12   69 o   33.278   9.5683   1.0348   6.2860   11.046   12.084  -2.6792   7.3602   42.275   15.750   24.280   10.869 17.99472 19.13661 
1 1 1   -1   12   70 o   47.209   9.8895   17.572   7.0326   8.7224   12.521   21.650   8.5000   40.347   15.783   54.071   11.921 -13.72342 19.77895 
1 1 1   -1   12   71 o   78.723   8.6734   47.429   8.1216   39.553   14.243   51.224   9.8864   71.840   15.109   85.606   8.5222 -13.76554 17.34686 
1 1 1   -1   12   72 o   30.563   8.9990   2.2282   6.3441  -5.4324   11.031   6.0146   7.7550   28.282   12.917   32.844   12.533 -4.561853 17.99805 
1 1 1   -1   12   73 o   41.106   9.4859   7.4286   6.6324   24.147   11.484  -0.9390   8.1244   55.551   14.933   26.661   11.702 28.88991 18.97175 
1 1 1   -1   12   74 o   44.214   10.263   14.346   6.8492   16.219   11.693   13.367   8.4507   46.248   15.667   42.181   13.261 4.067204 20.52584 
1 1 1   -1   12   75 o   34.176   10.236   2.6183   8.1586  -0.3518   10.746   6.6591   12.535   30.657   13.457   37.696   15.427 -7.039482 20.47136 
1 1 1   -1   12   76 o   56.058   11.013   23.435   9.3585   10.972   12.291   40.627   14.436   40.920   15.739   71.195   15.410 -30.27437 22.02660 
1 1 1   -1   12   77 o   50.118   10.821   20.327   8.9403   29.948   11.890   7.8089   13.562   61.193   14.551   39.043   16.020 22.15020 21.64187 
1 1 1   -1   12   78 o   34.899   10.466   3.0286   8.4404  -0.5534   10.772   8.7257   13.585   30.237   13.365   39.561   16.110 -9.323198 20.93194 
1 1 1   -1   12   79 o   44.129   15.402   15.230   11.327   15.230   11.327   0.0000   0.0000   44.129   15.402  ?   ?       ?      ? 
1 1 1   -1   12   80 o   49.803   11.444   18.180   9.0394   9.9333   11.406   32.103   14.821   38.775   15.092   60.831   17.208 -22.05619 22.88893 
1 1 1   -1   12   81 o   71.683   10.847   42.320   10.052   41.271   12.958   43.904   15.926   71.794   13.821   71.572   16.722 0.2229309 21.69424 
1 1 1   -1   12   82 o   44.463   11.154   16.148   8.8421   21.136   11.495   8.9202   13.838   49.932   15.429   38.995   16.111 10.93707 22.30753 
1 1 1   -1   12   83 o   40.608   11.049   9.9526   8.7977   2.5579   11.319   21.234   13.982   32.225   13.983   48.991   17.111 -16.76517 22.09819 
1 1 1   -1   12   84 o   53.682   17.747   27.084   15.014   0.0000   0.0000   27.084   15.014  ?   ?    53.682   17.747      ?      ? 
1 1 1   -1   12   85 o   29.087   9.4495  -3.7830   8.3816  -7.2421   10.951   1.1090   13.023   25.805   12.149   32.369   14.477 -6.564060 18.89902 
1 1 1   -1   12   86 o   43.450   11.552   16.915   9.2085   16.027   12.509   17.965   13.605   42.598   15.994   44.302   16.671 -1.703903 23.10301 
1 1 1   -1   12   87 o   40.468   11.054   13.122   9.3130   22.291   12.921   3.2101   13.435   47.855   16.465   33.080   14.756 14.77550 22.10900 
1 1 1   -1   12   88 o   51.201   12.222   27.495   10.101   29.921   14.302   25.080   14.269   53.533   17.299   48.869   17.269 4.663990 24.44351 
1 1 1   -1   12   89 o   71.003   12.040   51.270   11.433   51.061   15.937   51.492   16.412   71.244   16.783   70.762   17.267 0.4819336 24.08000 
1 1 1   -1   13    1 o  243.997   4.7544  403.731   15.705  401.682   21.710  405.981   22.747  243.353   6.5834  244.641   6.8613 -1.287827 9.508845 
1 1 1   -1   13    2 o  179.009   4.7062  218.331   11.364  237.174   15.850  198.400   16.301  187.004   6.2544  171.015   7.0340 15.98936 9.412482 
1 1 1   -1   13    3 o  193.822   4.6428  254.315   12.178  245.927   16.696  263.850   17.801  190.417   6.4702  197.227   6.6603 -6.810699 9.285608 
1 1 1   -1   13    4 o  216.906   4.6762  318.847   13.731  313.397   18.926  324.904   19.951  214.954   6.4973  218.857   6.7271 -3.902481 9.352489 
1 1 1   -1   13    5 o  192.532   4.6592  250.343   12.125  236.485   16.447  266.844   17.947  186.723   6.4998  198.341   6.6772 -11.61794 9.318381 
1 1 1   -1   13    6 o  237.127   4.7317  379.697   15.170  354.859   20.631  408.934   22.383  228.723   6.6561  245.530   6.7270 -16.80638 9.463417 
1 1 1   -1   13    7 o  187.805   4.6614  239.535   11.848  247.122   16.520  231.501   17.001  190.877   6.3868  184.734   6.7913 6.143539 9.322711 
1 1 1   -1   13    8 o  182.948   4.6796  226.843   11.590  222.917   15.985  231.196   16.830  181.283   6.5068  184.612   6.7273 -3.328781 9.359263 
1 1 1   -1   13    9 o  188.030   5.8459  244.728   14.132  224.370   23.597  256.112   17.646  181.754   9.5805  194.305   6.7017 -12.55069 11.69186 
1 1 1   -1   13   10 o  208.884   5.7693  295.043   15.549  299.829   26.490  292.527   19.206  210.116   9.3035  207.652   6.8251 2.463821 11.53852 
1 1 1   -1   13   11 o  259.534   5.9945  459.937   20.007  448.796   33.975  465.851   24.753  257.032   9.7542  262.036   6.9709 -5.003601 11.98909 
1 1 1   -1   13   12 o  311.086   5.1517  656.950   21.703  665.092   30.255  648.319   31.150  313.082   7.1311  309.090   7.4368 3.992035 10.30335 
1 1 1   -1   13   13 o   84.915   6.5312   46.811   6.5994   44.628   7.5961   53.529   13.327   81.102   6.9116   88.728   11.084 -7.625763 13.06241 
1 1 1   -1   13   14 f  279.532   5.7209  535.107   18.623  539.647   21.472  521.322   37.415  282.084   5.6170  276.980   9.9681 5.103851 11.44174 
1 1 1   -1   13   15 o  352.349   6.1519  829.672   25.200  817.297   28.864  869.338   51.677  347.112   6.1364  357.586   10.664 -10.47479 12.30375 
1 1 1   -1   13   16 o  227.475   5.3699  341.721   14.258  332.934   16.321  370.026   29.294  221.567   5.4358  233.382   9.2626 -11.81511 10.73982 
1 1 1   -1   13   17 o  288.055   5.7789  568.806   19.462  574.205   22.487  552.694   38.845  290.961   5.7032  285.150   10.053 5.810638 11.55778 
1 1 1   -1   13   18 o  333.258   6.0990  767.833   23.924  782.165   27.805  726.969   46.949  339.559   6.0426  326.956   10.596 12.60263 12.19805 
1 1 1   -1   13   19 o  368.421   6.3674  930.415   27.575  938.908   31.947  905.595   54.612  372.000   6.3372  364.841   11.046 7.158905 12.73474 
1 1 1   -1   13   20 f  321.091   7.3926  699.890   32.167  699.890   32.167   0.0000   0.0000  321.091   7.3926  ?   ?       ?      ? 
1 1 1   -1   13   21 o  339.108   6.0865  780.192   27.970  780.192   27.970   0.0000   0.0000  339.108   6.0865  ?   ?       ?      ? 
1 1 1   -1   13   22 o  411.501   6.7660  1167.49   32.783  1184.69   38.070  1118.17   64.482  417.795   6.7241  405.207   11.743 12.58859 13.53197 
1 1 1   -1   13   23 o  304.269   5.9435  643.047   21.318  658.298   24.830  600.281   41.580  311.494   5.8823  297.044   10.330 14.44946 11.88699 
1 1 1   -1   13   24 o  194.256   5.7594  255.195   14.465  252.542   17.901  260.186   24.553  192.882   6.8487  195.630   9.2617 -2.748367 11.51883 
1 1 1   -1   13   25 o  199.948   6.8703  271.405   18.616  271.405   18.616   0.0000   0.0000  199.948   6.8703  ?   ?       ?      ? 
1 1 1   -1   13   26 o  267.860   5.6487  486.799   20.504  486.799   20.504   0.0000   0.0000  267.860   5.6487  ?   ?       ?      ? 
1 1 1   -1   13   27 o  210.757   5.3971  298.526   13.366  295.360   15.406  308.164   26.879  208.651   5.4488  212.863   9.3180 -4.211868 10.79418 
1 1 1   -1   13   28 o  269.130   5.6147  485.791   17.724  479.586   20.400  504.897   35.797  265.855   5.6625  272.404   9.6972 -6.548584 11.22940 
1 1 1   -1   13   29 o  353.347   6.7225  868.659   30.694  919.791   38.698  781.928   50.400  367.929   7.7614  338.766   10.979 29.16315 13.44499 
1 1 1   -1   13   30 o  173.996   5.4883  211.635   11.302  218.317   13.219  193.486   21.787  179.374   5.4384  168.619   9.5346 10.75560 10.97653 
1 1 1   -1   13   31 o  200.352   5.5100  280.677   13.038  289.466   15.233  256.602   25.212  206.540   5.4425  194.164   9.5822 12.37617 11.01994 
1 1 1   -1   13   32 o  250.173   5.8487  426.287   18.605  427.690   22.703  423.418   32.462  250.953   6.6759  249.392   9.6054 1.560898 11.69748 
1 1 1   -1   13   33 o  258.326   5.8805  456.663   19.384  462.434   23.794  445.274   33.426  260.932   6.7291  255.721   9.6458 5.210907 11.76103 
1 1 1   -1   13   34 o   70.341   9.5874   34.686   8.8502   33.175   13.496   35.827   11.723   68.250   15.001   72.432   11.943 -4.181686 19.17480 
1 1 1   -1   13   35 o  145.286   6.7757  142.381   13.274  162.068   19.888  126.564   17.826  154.260   9.5138  136.311   9.6503 17.95001 13.55146 
1 1 1   -1   13   36 o  185.952   4.6558  234.895   11.731  234.314   16.664  235.466   16.519  185.721   6.6212  186.182   6.5471 -0.4614716 9.311569 
1 1 1   -1   13   37 o  134.377   4.8957  122.591   8.9019  132.185   12.792  113.581   12.396  139.479   6.7677  129.275   7.0759 10.20363 9.791386 
1 1 1   -1   13   38 o  126.666   5.0114  109.468   8.5477   95.076   12.061  123.990   12.116  118.245   7.5270  135.088   6.6183 -16.84338 10.02285 
1 1 1   -1   13   39 o  181.202   4.6852  222.788   11.457  196.167   15.868  251.785   16.561  169.888   6.8924  192.516   6.3480 -22.62817 9.370337 
1 1 1   -1   13   40 o  185.135   4.6575  232.411   11.663  253.688   16.892  213.032   16.122  193.225   6.4512  177.045   6.7195 16.18015 9.315088 
1 1 1   -1   13   41 o  224.130   5.7587  334.670   16.507  320.823   20.052  363.784   29.075  217.246   6.8111  231.014   9.2876 -13.76772 11.51742 
1 1 1   -1   13   42 o  172.685   5.9521  210.365   13.183  229.574   16.659  178.179   21.563  183.773   6.6893  161.596   9.8469 22.17691 11.90416 
1 1 1   -1   13   43 o  204.433   4.7693  283.867   13.205  292.086   19.074  276.301   18.300  207.267   6.7908  201.598   6.6985 5.668930 9.538581 
1 1 1   -1   13   44 o  139.138   6.1463  134.390   10.810  124.951   18.734  139.102   13.236  135.253   10.221  143.024   6.8292 -7.770813 12.29264 
1 1 1   -1   13   45 o  193.111   6.1379  266.356   14.903  218.636   25.102  292.334   18.521  178.868   10.356  207.354   6.5913 -28.48560 12.27581 
1 1 1   -1   13   46 o  238.744   4.9203  386.217   15.887  416.111   23.334  360.385   21.691  247.322   6.9623  230.167   6.9544 17.15456 9.840529 
1 1 1   -1   13   47 o  181.111   4.8942  223.870   11.964  202.487   17.008  244.820   16.834  172.483   7.2763  189.739   6.5472 -17.25597 9.788339 
1 1 1   -1   13   48 o  138.210   5.0958  130.278   9.5124  126.473   13.913  133.618   13.035  136.282   7.5333  140.138   6.8641 -3.856079 10.19152 
1 1 1   -1   13   49 o  179.805   4.8682  220.201   11.850  214.546   17.006  225.537   16.521  177.538   7.0684  182.071   6.6958 -4.533447 9.736300 
1 1 1   -1   13   50 o  297.993   7.3656  604.814   29.744  604.814   29.744   0.0000   0.0000  297.993   7.3656  ?   ?       ?      ? 
1 1 1   -1   13   51 o  174.899   6.7489  208.221   15.996   0.0000   0.0000  208.221   15.996  ?   ?   174.899   6.7489      ?      ? 
1 1 1   -1   13   52 o  148.106   5.1769  150.614   10.311  135.220   14.988  164.444   14.206  140.803   7.8550  155.409   6.7455 -14.60568 10.35387 
1 1 1   -1   13   53 o   84.708   8.6260   51.659   8.5192   46.725   15.888   53.650   10.093   80.788   15.067   88.627   8.4035 -7.838593 17.25201 
1 1 1   -1   13   54 o   86.951   6.6557   52.990   7.6537   43.893   11.466   60.300   10.279   79.940   10.584   93.963   8.0726 -14.02303 13.31145 
1 1 1   -1   13   55 o  128.809   7.3124  113.216   12.764   0.0000   0.0000  113.216   12.764  ?   ?   128.809   7.3124      ?      ? 
1 1 1   -1   13   56 f  197.575   4.9351  266.754   13.191  256.790   18.976  276.071   18.350  193.951   7.2198  201.199   6.7302 -7.247513 9.870234 
1 1 1   -1   13   57 o   97.797   8.4229   65.795   11.124   72.024   16.585   60.702   14.997  101.959   12.004   93.635   11.819 8.324387 16.84573 
1 1 1   -1   13   58 o   96.254   6.2745   64.695   8.0378   53.174   11.711   74.957   11.052   87.867   9.8349  104.640   7.7943 -16.77223 12.54891 
1 1 1   -1   13   59 o   87.939   9.5089   53.278   11.332   53.278   11.332   0.0000   0.0000   87.939   9.5089  ?   ?       ?      ? 
1 1 1   -1   13   60 o  137.226   6.4248  131.401   11.514  136.538   14.638  123.064   18.649  141.118   7.6545  133.335   10.321 7.783615 12.84967 
1 1 1   -1   13   61 o  131.171   5.4272  119.289   9.5432  102.560   13.780  134.708   13.229  122.093   8.3285  140.248   6.9608 -18.15422 10.85433 
1 1 1   -1   13   62 o   65.715   7.8276   30.127   6.7498   37.098   10.178   24.653   9.0183   73.061   10.280   58.369   11.807 14.69286 15.65521 
1 1 1   -1   13   63 o   41.742   9.3736   12.219   6.1496   7.8612   9.1524   15.805   8.3032   36.949   13.719   46.535   12.777 -9.585533 18.74724 
1 1 1   -1   13   64 o   65.381   7.8518   30.597   6.7044   29.354   10.203   31.541   8.8940   63.464   12.308   67.297   9.7525 -3.833771 15.70359 
1 1 1   -1   13   65 o   81.750   6.5313   46.821   7.1594   44.094   10.737   49.003   9.6065   79.411   9.9779   84.088   8.4304 -4.676971 13.06255 
1 1 1   -1   13   66 o   32.234   9.5142   2.9579   6.4268   0.1292   12.333   4.0126   7.5302   33.819   14.635   30.650   12.161 3.169205 19.02844 
1 1 1   -1   13   67 o   34.634   12.861   7.0980   8.0448   0.0000   0.0000   7.0980   8.0448  ?   ?    34.634   12.861      ?      ? 
1 1 1   -1   13   68 o   51.161   9.8624   21.001   7.1276   13.205   12.407   24.842   8.7079   44.239   16.047   58.084   11.470 -13.84464 19.72486 
1 1 1   -1   13   69 o   57.164   9.8994   25.758   7.3356   21.753   12.965   27.644   8.8966   52.970   16.389   61.359   11.108 -8.388763 19.79872 
1 1 1   -1   13   70 o   38.774   10.191   9.5883   6.8819   8.8044   12.079   9.9651   8.3740   39.550   15.493   37.998   13.244 1.551437 20.38235 
1 1 1   -1   13   71 o   51.284   9.7729   17.119   7.0864   33.351   12.278   9.0108   8.6777   65.641   14.214   36.926   13.416 28.71532 19.54585 
1 1 1   -1   13   72 o   23.126   7.8940 -14.4556   7.4468 -11.3295   9.8283 -18.6692   11.411   23.306   11.127   22.947   11.201 0.3589954 15.78797 
1 1 1   -1   13   73 o   82.338   9.5239   51.290   10.359   45.469   14.127   58.063   15.236   76.460   14.155   88.217   12.745 -11.75697 19.04775 
1 1 1   -1   13   74 o   32.570   10.021   0.7962   8.2589  -1.3315   11.216   3.3168   12.207   30.457   13.541   34.683   14.776 -4.225348 20.04209 
1 1 1   -1   13   75 o   32.706   9.9795   1.1816   8.2643   5.8364   11.301  -4.1690   12.116   35.563   14.612   29.848   13.596 5.715073 19.95897 
1 1 1   -1   13   76 o   41.282   11.154   11.808   8.7551   13.923   11.888   9.3030   12.942   43.062   15.694   39.503   15.853 3.559624 22.30771 
1 1 1   -1   13   77 o   56.817   12.010   26.155   9.7651   20.680   12.291   35.528   16.081   49.928   16.026   63.705   17.891 -13.77708 24.01925 
1 1 1   -1   13   78 o   30.962   13.470   1.2527   10.560   1.2527   10.560   0.0000   0.0000   30.962   13.470  ?   ?       ?      ? 
1 1 1   -1   13   79 o   60.237   11.526   30.009   9.5727   23.803   12.329   39.430   15.190   52.851   15.910   67.623   16.680 -14.77214 23.05107 
1 1 1   -1   13   80 o   39.437   10.988   10.602   8.5275   9.4645   11.113   12.231   13.299   37.693   14.831   41.182   16.218 -3.489117 21.97682 
1 1 1   -1   13   81 o   41.362   11.309   12.571   8.8721   9.7625   11.448   16.797   14.040   37.875   15.005   44.850   16.923 -6.974709 22.61716 
1 1 1   -1   13   82 o   41.032   11.149   9.6165   9.2734  -0.4965   12.000   24.609   14.611   30.703   13.802   51.360   17.512 -20.65662 22.29740 
1 1 1   -1   13   83 o   84.411   15.955   62.828   17.582   0.0000   0.0000   62.828   17.582  ?   ?    84.411   15.955      ?      ? 
1 1 1   -1   13   84 o   45.727   11.206   14.371   9.7729  -0.8254   12.729   36.193   15.253   30.649   13.951   60.804   17.541 -30.15463 22.41271 
1 1 1   -1   13   85 o   33.560   10.244   1.6139   9.0002  -8.9329   11.977   15.296   13.641   25.822   12.315   41.297   16.374 -15.47577 20.48827 
1 1 1   -1   13   86 o   40.349   11.466   15.016   9.6240   16.479   13.154   13.330   14.118   41.540   16.196   39.158   16.234 2.381836 22.93176 
1 1 1   -1   13   87 o   59.342   12.177   37.307   10.385   34.577   14.469   40.207   14.913   56.771   17.269   61.914   17.173 -5.142467 24.35429 
1 1 1   -1   14    1 o  137.457   5.9021  125.843   10.622  137.783   17.786  119.224   13.243  142.390   9.2176  132.524   7.3740 9.865982 11.80421 
1 1 1   -1   14    2 o  269.094   6.0373  497.675   21.050  471.575   34.890  512.612   26.394  263.375   9.7757  274.813   7.0875 -11.43796 12.07467 
1 1 1   -1   14    3 o  209.548   5.8345  297.569   15.779  300.404   26.822  296.069   19.514  210.234   9.4146  208.861   6.8944 1.372421 11.66905 
1 1 1   -1   14    4 o  190.900   5.7993  253.243   14.394  225.497   23.232  270.529   18.338  182.145   9.4123  199.655   6.7777 -17.50964 11.59860 
1 1 1   -1   14    5 o  287.247   6.0652  562.373   22.601  554.082   37.756  567.003   28.214  285.482   9.7596  289.013   7.2040 -3.530792 12.13037 
1 1 1   -1   14    6 o  272.131   5.9740  505.259   21.135  495.155   35.090  511.011   26.476  269.886   9.5943  274.376   7.1206 -4.489349 11.94798 
1 1 1   -1   14    7 o  155.449   5.7974  166.533   11.837  153.697   18.848  174.891   15.210  150.379   9.2491  160.518   6.9922 -10.13960 11.59472 
1 1 1   -1   14    8 o  227.596   5.7945  357.579   17.182  329.883   27.907  374.486   21.804  220.299   9.3479  234.893   6.8499 -14.59416 11.58900 
1 1 1   -1   14    9 o  201.719   5.6002  272.101   14.747  291.877   24.770  261.242   18.355  207.253   8.8195  196.184   6.9041 11.06900 11.20043 
1 1 1   -1   14   10 o  261.336   5.9596  474.453   20.285  422.814   32.614  507.032   25.905  249.370   9.6512  273.303   6.9946 -23.93359 11.91927 
1 1 1   -1   14   11 o  150.817   5.7754  156.402   11.456  146.210   18.250  163.027   14.716  146.663   9.1826  154.971   7.0072 -8.308060 11.55082 
1 1 1   -1   14   12 o  114.432   6.0465   88.237   9.1862   92.575   14.686   85.448   11.774  116.695   9.2869  112.169   7.7457 4.525528 12.09307 
1 1 1   -1   14   13 o  195.135   5.7589  259.819   14.150  261.808   17.135  255.554   25.090  196.410   6.4378  193.861   9.5506 2.548630 11.51779 
1 1 1   -1   14   14 o   60.431   9.9775   24.842   8.1708   24.842   8.1708   0.0000   0.0000   60.431   9.9775  ?   ?       ?      ? 
1 1 1   -1   14   15 o  119.862   6.8757   97.532   11.168   97.532   11.168   0.0000   0.0000  119.862   6.8757  ?   ?       ?      ? 
1 1 1   -1   14   16 o  137.161   6.1607  126.889   10.380  125.564   12.280  130.205   19.427  136.006   6.6626  138.317   10.365 -2.310577 12.32135 
1 1 1   -1   14   17 o  156.645   5.8708  171.366   11.537  179.848   14.091  154.117   20.094  162.781   6.3881  150.509   9.8519 12.27205 11.74169 
1 1 1   -1   14   18 o  200.011   5.8327  280.864   14.699  298.734   18.097  246.209   25.201  209.791   6.3655  190.232   9.7756 19.55943 11.66544 
1 1 1   -1   14   19 o  157.672   5.9544  174.780   11.694  184.956   14.238  153.691   20.496  165.071   6.3650  150.272   10.065 14.79851 11.90873 
1 1 1   -1   14   20 o  153.053   9.6823  159.393   20.082   0.0000   0.0000  159.393   20.082  ?   ?   153.053   9.6823      ?      ? 
1 1 1   -1   14   21 o  291.239   6.1420  576.067   22.714  574.852   27.645  578.591   39.848  290.943   7.0117  291.534   10.086 -0.5910034 12.28405 
1 1 1   -1   14   22 o  247.258   5.9713  422.975   18.734  437.589   23.009  394.236   32.267  253.861   6.6883  240.656   9.8941 13.20586 11.94263 
1 1 1   -1   14   23 o  263.932   9.8877  474.241   35.365   0.0000   0.0000  474.241   35.365  ?   ?   263.932   9.8877      ?      ? 
1 1 1   -1   14   24 o  289.431   6.2198  581.131   22.949  605.388   28.372  535.229   39.029  298.543   7.0129  280.318   10.274 18.22516 12.43958 
1 1 1   -1   14   25 o  123.113   6.1738  103.597   9.6172  104.511   11.700  101.693   16.887  124.041   6.9605  122.184   10.199 1.857414 12.34759 
1 1 1   -1   14   26 f   97.545   7.1030   69.752   8.4373   78.336   10.329   52.541   14.626  107.381   7.0983   87.709   12.306 19.67168 14.20608 
1 1 1   -1   14   27 o  126.450   5.7210  107.442   8.6510  106.029   10.059  111.457   16.953  124.974   5.9397  127.925   9.7795 -2.950310 11.44193 
1 1 1   -1   14   28 o  207.295   5.4605  290.947   13.405  289.705   15.537  294.562   26.511  206.599   5.5497  207.990   9.4059 -1.390869 10.92108 
1 1 1   -1   14   29 o  149.885   5.6697  154.501   10.208  156.561   11.980  149.041   19.505  151.860   5.8212  147.911   9.7312 3.949158 11.33940 
1 1 1   -1   14   30 o  211.553   6.0415  304.151   16.358  303.336   20.060  305.768   28.258  211.279   7.0065  211.826   9.8442 -0.5470886 12.08301 
1 1 1   -1   14   31 o  130.636   7.7213  116.052   13.669  116.052   13.669   0.0000   0.0000  130.636   7.7213  ?   ?       ?      ? 
1 1 1   -1   14   32 o  119.592   6.0533   99.392   8.6740  101.855   10.197   92.942   16.500  122.462   6.1443  116.723   10.432 5.739433 12.10669 
1 1 1   -1   14   33 o  149.712   5.5499  151.060   9.9952  149.432   11.669  155.546   19.370  148.346   5.8045  151.079   9.4613 -2.733063 11.09988 
1 1 1   -1   14   34 o  236.546   5.5445  379.866   15.592  378.989   18.120  382.366   30.605  236.252   5.6598  236.841   9.5358 -0.5886993 11.08892 
1 1 1   -1   14   35 o  216.351   5.6303  328.814   14.483  340.954   17.010  296.816   27.616  224.082   5.6018  208.620   9.7685 15.46165 11.26066 
1 1 1   -1   14   36 o  109.258   6.3325   82.692   8.4229   84.509   9.9899   78.223   15.665  111.508   6.6111  107.008   10.803 4.500778 12.66495 
1 1 1   -1   14   37 o  158.427   5.8833  174.676   10.900  178.562   12.642  163.418   21.519  162.143   5.7537  154.711   10.264 7.431854 11.76659 
1 1 1   -1   14   38 o  178.726   5.7390  216.968   13.900  216.968   13.900   0.0000   0.0000  178.726   5.7390  ?   ?       ?      ? 
1 1 1   -1   14   39 o  160.177   6.1274  178.797   12.727  190.100   16.137  160.198   20.700  167.174   7.1231  153.179   9.9721 13.99519 12.25481 
1 1 1   -1   14   40 f  175.877   5.8108  212.907   13.087  203.849   22.296  217.667   16.164  172.833   9.5195  178.920   6.6665 -6.086227 11.62170 
1 1 1   -1   14   41 o  223.985   5.8449  336.405   16.702  357.794   29.423  326.236   20.287  228.959   9.4829  219.011   6.8355 9.948074 11.68970 
1 1 1   -1   14   42 o  215.851   4.8442  317.094   14.161  310.955   20.257  322.961   19.804  213.789   6.9921  217.913   6.7063 -4.123642 9.688382 
1 1 1   -1   14   43 f  207.942   4.8282  294.383   13.593  281.727   19.296  306.852   19.153  203.480   6.9979  212.403   6.6540 -8.922531 9.656453 
1 1 1   -1   14   44 o  284.124   5.0815  548.273   19.543  581.715   28.400  518.191   26.935  292.339   7.1687  275.909   7.2040 16.42944 10.16309 
1 1 1   -1   14   45 o  163.448   4.9288  181.998   10.897  178.748   15.818  184.934   15.033  162.033   7.2039  164.863   6.7288 -2.830261 9.857667 
1 1 1   -1   14   46 o  110.169   5.5542   82.267   8.2630   88.182   12.332   77.448   11.131  113.730   8.0018  106.607   7.7050 7.122856 11.10833 
1 1 1   -1   14   47 o   70.054   7.3775   33.455   6.7688   41.669   10.291   27.192   8.9863   78.047   9.7300   62.060   11.092 15.98677 14.75507 
1 1 1   -1   14   48 o   97.960   5.9697   65.437   7.8867   66.307   11.777   64.729   10.620   98.516   8.8215   97.404   8.0455 1.111794 11.93940 
1 1 1   -1   14   49 o  172.959   6.1253  201.413   13.202  212.085   24.237  196.910   15.742  175.893   10.168  170.025   6.8325 5.868561 12.25063 
1 1 1   -1   14   50 o  135.816   6.7963  129.756   11.274  118.366   20.626  134.608   13.463  131.108   11.609  140.524   7.0696 -9.416321 13.59255 
1 1 1   -1   14   51 o   71.586   8.2399   38.833   7.2561   22.580   10.842   52.019   9.7655   55.938   14.260   87.235   8.2608 -31.29763 16.47986 
1 1 1   -1   14   52 o   94.563   7.1958   60.027   9.0959   53.010   11.742   70.557   14.383   87.856   9.8625  101.271   10.481 -13.41539 14.39152 
1 1 1   -1   14   53 o   82.701   8.5913   49.492   8.3671   44.615   15.337   51.558   9.9837   78.641   14.938   86.760   8.4916 -8.118668 17.18252 
1 1 1   -1   14   54 o   61.847   8.4294   26.999   6.7465   30.016   10.434   24.832   8.8440   64.747   12.342   58.947   11.484 5.800117 16.85887 
1 1 1   -1   14   55 o  137.690   6.2980  127.611   11.282  121.220   13.955  139.666   19.167  133.050   7.7400  142.330   9.9373 -9.279938 12.59592 
1 1 1   -1   14   56 o   86.552   7.9726   48.309   8.9918   35.007   11.210   72.312   15.058   70.955   11.658  102.148   10.878 -31.19281 15.94518 
1 1 1   -1   14   57 o   73.654   8.8971   38.860   8.4932   40.323   11.108   36.801   13.178   76.225   10.754   71.083   14.177 5.141830 17.79421 
1 1 1   -1   14   58 o  126.464   6.5942  113.505   10.832  123.100   13.875   98.531   17.332  133.897   7.6466  119.031   10.745 14.86645 13.18834 
1 1 1   -1   14   59 o  119.400   5.5810   99.081   8.9360   86.915   13.019  109.919   12.288  112.239   8.5593  126.562   7.1645 -14.32264 11.16207 
1 1 1   -1   14   60 o  108.954   5.7056   82.353   8.3619   76.634   12.319   87.239   11.387  105.287   8.6341  112.621   7.4612 -7.333321 11.41125 
1 1 1   -1   14   61 o   57.716   8.5201   25.145   6.5102   16.889   9.8079   31.648   8.7043   47.990   14.130   67.441   9.5241 -19.45084 17.04025 
1 1 1   -1   14   62 o   60.400   8.3795   28.211   6.5733   16.276   9.8705   37.724   8.8116   47.109   14.248   73.691   8.8237 -26.58228 16.75909 
1 1 1   -1   14   63 o  139.330   5.2141  135.031   9.7699  120.864   14.159  147.905   13.498  132.105   7.9093  146.554   6.7965 -14.44839 10.42830 
1 1 1   -1   14   64 o   64.040   10.089   28.878   8.7552   0.0000   0.0000   28.878   8.7552  ?   ?    64.040   10.089      ?      ? 
1 1 1   -1   14   65 o   47.290   12.663   16.733   8.2766   0.0000   0.0000   16.733   8.2766  ?   ?    47.290   12.663      ?      ? 
1 1 1   -1   14   66 o   66.798   9.4036   33.366   7.6758   32.715   13.977   33.647   9.1848   64.631   16.035   68.966   9.8277 -4.335243 18.80720 
1 1 1   -1   14   67 o   82.153   8.4434   49.973   8.2546   48.049   15.054   50.801   9.8708   79.250   14.554   85.057   8.5637 -5.807045 16.88682 
1 1 1   -1   14   68 o   31.350   9.4887   2.0280   6.4859   0.6649   12.777   2.5011   7.5279   33.998   14.804   28.702   11.873 5.295982 18.97731 
1 1 1   -1   14   69 o   46.413   10.425   14.218   7.0119   24.558   12.805   9.7891   8.3801   55.280   16.108   37.545   13.238 17.73470 20.84966 
1 1 1   -1   14   70 o   57.636   11.375   26.350   9.3675   19.516   12.571   34.883   14.046   49.580   16.231   65.691   15.941 -16.11112 22.75006 
1 1 1   -1   14   71 o   67.319   10.839   35.935   9.7584   26.682   13.165   47.216   14.537   56.995   16.252   77.643   14.345 -20.64732 21.67736 
1 1 1   -1   14   72 o   43.426   10.470   10.194   8.6796  -3.5598   11.712   26.948   12.927   29.699   13.466   57.153   16.037 -27.45420 20.94088 
1 1 1   -1   14   73 o   51.257   11.226   21.078   9.2102   30.926   13.042   11.281   13.008   61.282   15.650   41.231   16.098 20.05086 22.45142 
1 1 1   -1   14   74 o   55.255   11.533   25.425   9.2812   21.239   12.648   30.308   13.661   50.550   16.261   59.960   16.359 -9.410545 23.06577 
1 1 1   -1   14   75 o   51.299   11.752   22.423   9.3978   24.586   12.395   19.498   14.414   54.087   15.873   48.511   17.334 5.576813 23.50342 
1 1 1   -1   14   76 o   54.539   15.932   25.265   12.512   25.265   12.512   0.0000   0.0000   54.539   15.932  ?   ?       ?      ? 
1 1 1   -1   14   77 o   43.332   15.528   15.010   11.575   15.010   11.575   0.0000   0.0000   43.332   15.528  ?   ?       ?      ? 
1 1 1   -1   14   78 o   38.027   10.536   5.9281   8.4081  -3.2753   10.819   19.963   13.360   28.077   12.812   47.977   16.729 -19.90036 21.07104 
1 1 1   -1   14   79 o   45.518   11.606   17.325   9.0653   14.296   11.822   21.647   14.123   42.028   15.594   49.009   17.193 -6.980175 23.21167 
1 1 1   -1   14   80 o   35.925   10.658   5.5787   8.7867  -0.0439   11.415   13.756   13.766   30.253   13.540   41.597   16.462 -11.34383 21.31523 
1 1 1   -1   14   81 o   62.365   12.168   36.389   10.849   27.047   14.597   47.918   16.216   52.749   17.501   71.980   16.911 -19.23120 24.33668 
1 1 1   -1   14   82 o   66.661   17.544   43.375   16.064   0.0000   0.0000   43.375   16.064  ?   ?    66.661   17.544      ?      ? 
1 1 1   -1   14   83 o   58.861   11.451   31.933   10.397   15.684   13.670   54.231   16.014   41.368   16.395   76.354   15.990 -34.98544 22.90112 
1 1 1   -1   14   84 o   35.283   10.741   8.1327   9.2755   5.5437   12.552   11.247   13.767   33.156   14.549   37.410   15.804 -4.253929 21.48111 
1 1 1   -1   14   85 o   32.933   9.9819   0.2757   9.0075 -15.4816   12.193   19.204   13.364   23.163   11.363   42.704   16.415 -19.54075 19.96387 
1 1 1   -1   15    1 o  256.976   4.9404  449.019   17.182  464.136   23.968  433.040   24.643  261.449   6.7650  252.503   7.2018 8.945465 9.880847 
1 1 1   -1   15    2 o  159.178   4.9013  171.124   10.543  158.973   14.283  185.670   15.627  153.006   6.8886  165.350   6.9741 -12.34442 9.802613 
1 1 1   -1   15    3 o  246.847   4.8844  414.440   16.312  430.910   22.743  396.993   23.408  251.924   6.6619  241.769   7.1448 10.15509 9.768790 
1 1 1   -1   15    4 o  139.364   5.0187  130.894   9.4413  119.589   12.706  144.831   14.108  132.698   7.0659  146.029   7.1290 -13.33173 10.03745 
1 1 1   -1   15    5 o  180.925   4.7955  221.178   11.723  208.467   15.852  236.520   17.416  175.223   6.6758  186.628   6.8863 -11.40509 9.591000 
1 1 1   -1   15    6 o  171.645   6.0759  202.803   12.891  206.527   15.430  194.198   23.456  174.412   6.5284  168.878   10.249 5.533936 12.15185 
1 1 1   -1   15    7 o  114.176   6.7603   88.044   9.3411   87.238   10.949   90.201   17.907  113.332   7.1291  115.020   11.488 -1.687691 13.52057 
1 1 1   -1   15    8 o   98.010   7.5222   68.154   8.7032   71.289   10.211   59.824   16.643  102.441   7.3551   93.579   13.124 8.861977 15.04442 
1 1 1   -1   15    9 o  115.322   6.5901   82.886   9.2957   74.103   10.770  108.534   18.405  104.432   7.6105  126.211   10.761 -21.77836 13.18020 
1 1 1   -1   15   10 o  136.645   5.0772  126.073   9.3589  119.347   12.534  134.549   14.069  132.560   6.9775  140.730   7.3774 -8.170166 10.15443 
1 1 1   -1   15   11 o  183.450   4.8302  229.283   11.964  239.788   16.482  217.583   17.394  187.927   6.4720  178.972   7.1718 8.954895 9.660318 
1 1 1   -1   15   12 o  180.378   4.8312  221.482   11.773  228.898   16.198  213.179   17.140  183.605   6.5103  177.151   7.1398 6.454544 9.662393 
1 1 1   -1   15   13 o  153.098   5.5548  153.308   9.8356  148.113   11.191  170.935   20.616  147.733   5.5901  158.463   9.6007 -10.73016 11.10957 
1 1 1   -1   15   14 o  140.168   5.9184  137.756   9.4119  141.428   10.780  125.983   19.303  144.362   5.5105  135.975   10.476 8.387451 11.83670 
1 1 1   -1   15   15 o  194.373   5.4699  249.280   12.357  242.516   14.113  271.496   25.578  189.039   5.5093  199.708   9.4513 -10.66959 10.93983 
1 1 1   -1   15   16 o  303.366   5.9829  629.245   21.164  632.478   24.399  619.420   42.534  305.243   5.8986  301.489   10.411 3.754059 11.96575 
1 1 1   -1   15   17 o  204.040   5.7592  296.790   13.568  310.715   15.749  256.713   26.718  213.973   5.4315  194.108   10.157 19.86551 11.51841 
1 1 1   -1   15   18 f  211.953   5.5399  301.678   13.698  298.138   15.728  312.795   27.872  209.588   5.5377  214.318   9.5967 -4.729324 11.07982 
1 1 1   -1   15   19 o  187.649   5.4779  231.211   11.986  223.771   13.695  255.557   24.773  181.572   5.5659  193.726   9.4366 -12.15381 10.95573 
1 1 1   -1   15   20 o   95.725   6.4721   57.693   7.3827   53.106   8.4540   72.429   15.153   88.406   7.0566  103.045   10.852 -14.63888 12.94427 
1 1 1   -1   15   21 o  164.982   5.6602  189.551   10.912  194.126   12.656  176.299   21.540  169.114   5.5226  160.849   9.8819 8.265732 11.32039 
1 1 1   -1   15   22 o  141.749   5.6185  130.932   9.3794  125.483   10.749  148.319   19.202  135.949   5.8345  147.548   9.6037 -11.59885 11.23707 
1 1 1   -1   15   23 o   52.908   8.8637   23.673   6.3597   29.825   7.3765   5.8558   12.553   66.210   8.2213   39.607   15.706 26.60376 17.72746 
1 1 1   -1   15   24 o  133.880   5.7708  119.891   9.1341  117.799   10.545  126.177   18.280  131.712   5.9080  136.048   9.9150 -4.336258 11.54169 
1 1 1   -1   15   25 o  166.167   6.1128  189.365   13.078  192.559   16.222  183.436   22.103  168.310   7.1123  164.024   9.9438 4.285629 12.22557 
1 1 1   -1   15   26 o  223.122   6.0727  345.814   17.431  362.632   21.799  315.994   29.026  230.980   6.9642  215.265   9.9503 15.71533 12.14536 
1 1 1   -1   15   27 o  198.910   6.0785  276.030   15.596  293.526   19.652  246.265   25.633  207.800   6.9789  190.021   9.9544 17.77957 12.15708 
1 1 1   -1   15   28 o  195.784   5.5848  261.262   12.868  261.716   14.891  259.924   25.574  196.326   5.5971  195.242   9.6660 1.083649 11.16956 
1 1 1   -1   15   29 o  154.023   5.6172  160.183   10.332  158.791   12.018  164.127   20.228  152.907   5.8000  155.138   9.6215 -2.230972 11.23448 
1 1 1   -1   15   30 o  173.133   5.6223  201.729   11.449  199.450   13.202  208.640   22.993  171.373   5.6848  174.892   9.7018 -3.519730 11.24464 
1 1 1   -1   15   31 o  138.713   6.2558  132.571   11.158  135.910   13.854  126.406   18.826  141.358   7.2322  136.069   10.210 5.289001 12.51163 
1 1 1   -1   15   32 o  145.902   6.2665  147.053   11.736  151.534   14.567  138.763   19.814  149.258   7.2018  142.547   10.257 6.710907 12.53298 
1 1 1   -1   15   33 o  176.520   7.1030  211.942   16.991  211.942   16.991   0.0000   0.0000  176.520   7.1030  ?   ?       ?      ? 
1 1 1   -1   15   35 f  181.400   7.5901  224.990   18.559  225.411   27.717  224.647   24.988  181.469   11.271  181.332   10.169 0.1371002 15.18022 
1 1 1   -1   15   36 o  155.775   7.9490  165.274   16.780  165.274   16.780   0.0000   0.0000  155.775   7.9490  ?   ?       ?      ? 
1 1 1   -1   15   37 o  111.724   7.0803   84.934   10.720   84.934   10.720   0.0000   0.0000  111.724   7.0803  ?   ?       ?      ? 
1 1 1   -1   15   38 o  175.979   5.7650  213.403   12.163  216.196   14.258  205.942   23.306  178.358   5.8992  173.601   9.9067 4.756485 11.53009 
1 1 1   -1   15   39 o  168.433   5.7624  194.334   11.641  195.470   13.624  191.264   22.404  169.583   5.9284  167.283   9.8831 2.299911 11.52482 
1 1 1   -1   15   40 o  180.147   5.8705  229.528   12.574  239.415   14.796  203.828   23.856  187.681   5.8175  172.614   10.198 15.06726 11.74102 
1 1 1   -1   15   41 o  108.516   6.8563   85.021   8.9407   91.313   10.686   70.338   16.324  115.831   6.8078  101.200   11.903 14.63096 13.71258 
1 1 1   -1   15   42 o  260.077   5.7957  466.920   18.074  473.499   21.198  449.400   34.592  263.888   5.9279  256.265   9.9611 7.622498 11.59149 
1 1 1   -1   15   43 o  170.241   5.5398  185.632   11.545  171.289   13.443  225.940   22.536  158.671   6.2519  181.811   9.1471 -23.13911 11.07952 
1 1 1   -1   15   44 o   97.505   7.0504   62.329   9.0632   53.750   11.325   77.607   15.114   88.631   9.4293  106.378   10.484 -17.74650 14.10089 
1 1 1   -1   15   45 o  113.796   7.1033   89.992   9.7986   86.004   18.381   91.575   11.581  111.705   12.143  115.887   7.3746 -4.182121 14.20665 
1 1 1   -1   15   46 o  147.621   6.4524  151.217   11.766  144.130   21.383  154.294   14.090  144.784   10.898  150.457   6.9108 -5.672897 12.90470 
1 1 1   -1   15   47 o   75.700   7.2260   39.494   7.3356   38.424   11.121   40.317   9.7598   74.710   10.985   76.691   9.3911 -1.981010 14.45191 
1 1 1   -1   15   48 o  143.806   7.1923  141.554   13.983  154.990   20.532  129.931   19.096  150.159   10.090  137.453   10.252 12.70564 14.38466 
1 1 1   -1   15   49 o   69.153   7.5826   32.327   7.0226   37.303   11.009   28.914   9.1187   73.514   11.051   64.792   10.386 8.722656 15.16523 
1 1 1   -1   15   50 o  225.712   4.9619  347.145   15.154  363.232   22.191  333.087   20.744  230.578   7.1020  220.846   6.9313 9.731766 9.923761 
1 1 1   -1   15   51 o  182.994   4.9911  229.076   12.351  226.038   17.994  231.783   16.983  181.789   7.3044  184.199   6.8037 -2.409943 9.982193 
1 1 1   -1   15   52 o  109.739   6.9521   79.019   10.058   65.857   12.576  102.389   16.757   97.747   9.4942  121.730   10.158 -23.98244 13.90428 
1 1 1   -1   15   53 o   92.013   6.6601   58.493   8.2442   67.735   11.833   49.775   11.493   99.190   8.8031   84.836   9.9967 14.35484 13.32027 
1 1 1   -1   15   54 o   83.535   8.3565   50.888   8.7801   55.858   11.262   43.185   14.021   89.938   9.2401   77.131   13.926 12.80713 16.71297 
1 1 1   -1   15   55 o  113.394   6.6253   87.335   9.9377   81.830   12.582   96.466   16.204  108.937   8.5228  117.852   10.146 -8.915077 13.25065 
1 1 1   -1   15   56 f  116.404   5.5891   94.184   8.7282   84.760   12.842  102.274   11.899  110.780   8.5544  122.028   7.1956 -11.24731 11.17825 
1 1 1   -1   15   57 o  112.015   5.5924   86.268   8.4495   89.292   12.659   83.838   11.347  113.701   8.2158  110.328   7.5895 3.373497 11.18482 
1 1 1   -1   15   58 o   98.473   5.9740   67.350   7.8996   65.676   11.914   68.664   10.553   97.221   9.0433   99.724   7.8087 -2.503174 11.94808 
1 1 1   -1   15   59 o  109.309   5.6760   84.063   8.2611   72.241   12.273   93.859   11.171  101.903   8.8872  116.715   7.0629 -14.81206 11.35195 
1 1 1   -1   15   60 o  107.121   5.7246   81.025   8.1546   67.901   12.025   92.199   11.096   98.652   8.9950  115.590   7.0835 -16.93858 11.44930 
1 1 1   -1   15   61 o   62.281   9.8451   33.027   7.6018   18.655   14.766   38.210   8.8670   50.610   17.590   73.951   8.8481 -23.34086 19.69011 
1 1 1   -1   15   62 o   83.056   8.5034   48.198   9.5707   0.0000   0.0000   48.198   9.5707  ?   ?    83.056   8.5034      ?      ? 
1 1 1   -1   15   63 o  101.973   7.8087   72.463   10.791   0.0000   0.0000   72.463   10.791  ?   ?   101.973   7.8087      ?      ? 
1 1 1   -1   15   64 o   94.808   8.6341   71.336   9.1175   54.321   16.970   78.241   10.810   83.662   15.540  105.953   7.5291 -22.29105 17.26820 
1 1 1   -1   15   65 o   44.416   9.8070   15.960   7.1437   2.4064   13.719   21.002   8.3677   36.099   15.529   52.733   11.982 -16.63381 19.61410 
1 1 1   -1   15   66 o   65.217   9.6456   34.201   7.7290   27.798   13.998   37.010   9.2701   58.390   16.793   72.044   9.4953 -13.65379 19.29119 
1 1 1   -1   15   67 o   69.392   10.833   38.468   9.9283   42.249   14.011   34.654   14.070   73.378   14.604   65.405   16.005 7.972885 21.66681 
1 1 1   -1   15   68 f   33.844   10.296   2.1262   8.5941   4.7883   11.531  -1.2000   12.890   35.120   14.625   32.568   14.496 2.552326 20.59142 
1 1 1   -1   15   69 o   33.664   10.185   2.6107   8.2739   0.8073   11.421   4.6022   12.002   32.017   13.968   35.310   14.828 -3.292892 20.37070 
1 1 1   -1   15   70 o   59.263   11.220   29.232   9.3559   35.262   13.126   23.006   13.339   66.009   15.013   52.518   16.679 13.49071 22.44043 
1 1 1   -1   15   71 o   54.181   11.571   24.708   9.2656   27.414   12.980   21.897   13.230   57.200   16.077   51.161   16.647 6.038799 23.14278 
1 1 1   -1   15   72 o   65.121   10.983   35.495   9.7262   44.307   13.738   26.638   13.772   74.505   14.123   55.737   16.824 18.76765 21.96634 
1 1 1   -1   15   73 o   87.937   9.5880   59.857   10.959   46.713   14.730   76.149   16.399   75.673   14.895  100.201   12.077 -24.52839 19.17595 
1 1 1   -1   15   74 f   64.211   15.495   34.727   13.328   34.727   13.328   0.0000   0.0000   64.211   15.495  ?   ?       ?      ? 
1 1 1   -1   15   75 o   60.561   15.544   31.373   12.821   31.373   12.821   0.0000   0.0000   60.561   15.544  ?   ?       ?      ? 
1 1 1   -1   15   76 o   42.129   11.310   13.302   8.9507   8.6523   11.859   19.457   13.645   37.114   15.076   47.144   16.863 -10.02988 22.61964 
1 1 1   -1   15   77 o   63.607   11.391   37.187   10.080   44.247   13.453   28.152   15.219   72.836   14.140   54.378   17.862 18.45789 22.78126 
1 1 1   -1   15   78 o   32.845   10.215   2.3708   8.7746  -1.0144   11.741   6.6533   13.206   29.858   13.515   35.832   15.320 -5.974333 20.42926 
1 1 1   -1   15   79 o   29.582   9.5631  -1.6866   8.5325  -1.4608   11.424  -1.9716   12.832   29.010   13.209   30.154   13.832 -1.143997 19.12619 
1 1 1   -1   15   80 f   31.155   14.087   0.8073   12.718   0.0000   0.0000   0.8073   12.718  ?   ?    31.155   14.087      ?      ? 
1 1 1   -1   15   81 o   48.349   11.572   22.753   9.8217   11.463   13.631   34.942   14.164   37.805   15.835   58.893   16.878 -21.08773 23.14360 
1 1 1   -1   15   82 o   26.476   8.8437  -5.4921   8.3189  -5.6446   11.440  -5.3210   12.118   26.059   12.314   26.893   12.697 -0.8340855 17.68744 
1 1 1   -1   16    1 o  335.967   5.4412  768.087   24.750  801.113   34.867  734.544   35.139  343.282   7.4952  328.651   7.8898 14.63062 10.88247 
1 1 1   -1   16    2 o  378.324   5.7058  973.924   29.239  1003.08   41.229  944.428   41.473  384.048   7.9220  372.600   8.2137 11.44806 11.41156 
1 1 1   -1   16    3 o  236.414   4.9858  375.912   15.890  337.780   21.246  424.325   23.939  222.949   7.0321  249.880   7.0697 -26.93079 9.971536 
1 1 1   -1   16    4 o  177.278   4.9607  213.346   11.881  210.852   16.140  216.297   17.554  176.166   6.7608  178.390   7.2613 -2.223236 9.921439 
1 1 1   -1   16    5 o  168.858   4.9958  193.536   11.386  191.218   15.388  196.340   16.927  167.763   6.7687  169.953   7.3496 -2.190491 9.991610 
1 1 1   -1   16    6 o  316.082   5.2941  679.812   22.651  715.139   31.974  644.220   32.093  324.363   7.2741  307.802   7.6940 16.56085 10.58825 
1 1 1   -1   16    7 o  270.058   5.0469  495.479   18.445  492.017   25.390  499.348   26.840  269.079   6.9630  271.036   7.3075 -1.956940 10.09375 
1 1 1   -1   16    8 o  117.346   5.5296   93.434   8.7530   91.507   11.774   95.814   13.087  116.015   7.4893  118.677   8.1374 -2.662689 11.05921 
1 1 1   -1   16    9 o  142.006   5.1978  138.336   9.9112  152.764   13.651  122.254   14.412  149.946   6.7183  134.066   7.9330 15.87996 10.39556 
1 1 1   -1   16   10 o  209.359   4.9204  297.428   13.913  292.676   18.849  303.116   20.621  207.547   6.7019  211.171   7.2061 -3.623672 9.840887 
1 1 1   -1   16   11 o  222.619   4.9889  337.715   14.979  346.995   20.387  326.828   22.082  225.989   6.6571  219.249   7.4323 6.739777 9.977731 
1 1 1   -1   16   12 o  147.240   6.1592  146.605   11.391  144.982   13.703  150.235   20.493  146.059   6.9232  148.421   10.189 -2.362442 12.31839 
1 1 1   -1   16   13 o   68.488   8.8976   34.965   6.7173   36.944   7.6944   28.624   13.773   73.702   7.7040   63.273   16.041 10.42866 17.79521 
1 1 1   -1   16   14 f  145.133   5.7619  136.484   9.6566  130.690   10.961  156.582   20.412  138.730   5.8302  151.537   9.9402 -12.80702 11.52382 
1 1 1   -1   16   15 o  172.348   5.7968  205.732   11.529  209.125   13.267  195.264   23.302  175.504   5.5782  169.191   10.163 6.312454 11.59356 
1 1 1   -1   16   16 o  141.551   6.0523  141.406   9.8726  146.288   11.410  126.868   19.691  146.776   5.7366  136.325   10.659 10.45117 12.10469 
1 1 1   -1   16   17 o  121.801   6.6639  104.924   10.114  111.763   12.347   90.980   17.630  128.215   7.1064  115.387   11.275 12.82856 13.32784 
1 1 1   -1   16   18 o  106.216   6.8295   75.716   9.2011   73.578   11.120   80.358   16.384  103.987   7.8913  108.445   11.149 -4.458122 13.65906 
1 1 1   -1   16   19 o  123.046   6.9490  109.080   10.797  123.499   13.630   84.797   17.689  134.748   7.4645  111.343   11.723 23.40449 13.89794 
1 1 1   -1   16   20 o  119.305   6.7715   97.660   10.352   98.941   12.764   95.198   17.695  120.583   7.8111  118.027   11.063 2.555115 13.54291 
1 1 1   -1   16   21 o   97.435   7.3430   64.359   9.2708   63.270   11.488   66.390   15.697   96.367   8.7973   98.502   11.760 -2.135048 14.68599 
1 1 1   -1   16   22 o  144.904   6.1674  149.731   10.271  156.327   11.889  130.334   20.389  151.710   5.7831  138.099   10.895 13.61092 12.33483 
1 1 1   -1   16   23 f  257.259   5.8233  449.926   17.451  449.213   20.075  452.132   35.300  257.169   5.7605  257.348   10.122 -0.1791992 11.64655 
1 1 1   -1   16   24 o  182.189   5.8657  235.309   12.411  244.894   14.422  207.939   24.370  189.890   5.6044  174.489   10.306 15.40112 11.73148 
1 1 1   -1   16   25 o  168.835   5.7927  192.513   11.422  190.955   13.135  197.344   23.130  167.662   5.7809  170.008   10.040 -2.345505 11.58535 
1 1 1   -1   16   26 o  149.971   5.7499  140.849   10.178  129.531   11.595  178.864   21.250  138.058   6.1976  161.884   9.6867 -23.82587 11.49972 
1 1 1   -1   16   27 o  209.358   5.6555  291.556   13.846  285.011   15.879  312.316   28.282  204.829   5.7208  213.888   9.7576 -9.058792 11.31093 
1 1 1   -1   16   28 o  157.144   6.1275  167.828   13.049  167.828   13.049   0.0000   0.0000  157.144   6.1275  ?   ?       ?      ? 
1 1 1   -1   16   29 o  131.993   6.4792  118.456   11.589  118.456   11.589   0.0000   0.0000  131.993   6.4792  ?   ?       ?      ? 
1 1 1   -1   16   30 o  110.636   7.2711   84.719   10.453   87.593   13.175   79.835   17.175  113.349   8.5773  107.923   11.743 5.426170 14.54229 
1 1 1   -1   16   31 o  123.915   6.0131   97.590   8.9837   90.036   10.360  120.479   18.035  115.056   6.6449  132.773   10.024 -17.71717 12.02624 
1 1 1   -1   16   32 o  141.780   6.1221  140.737   10.129  144.495   11.752  129.874   19.979  145.806   5.9477  137.755   10.703 8.051025 12.24421 
1 1 1   -1   16   33 o   75.390   8.4303   40.221   7.2838   40.850   8.4852   38.460   14.200   77.418   8.0879   73.362   14.794 4.055122 16.86058 
1 1 1   -1   16   34 o  206.944   6.1848  298.865   16.536  316.624   20.853  268.776   27.143  215.660   7.1354  198.229   10.104 17.43130 12.36970 
1 1 1   -1   16   35 o  134.815   5.9745  122.483   9.7533  120.666   11.422  127.375   18.740  133.193   6.3283  136.437   10.136 -3.243927 11.94891 
1 1 1   -1   16   36 o   97.230   6.9835   64.033   8.2496   63.233   9.6882   66.144   15.733   96.340   7.4208   98.120   11.832 -1.780289 13.96690 
1 1 1   -1   16   37 o   61.797   9.5971   27.559   7.3408   28.675   8.7229   24.852   13.590   64.723   9.9453   58.871   16.417 5.852417 19.19428 
1 1 1   -1   16   38 o  159.165   5.9955  177.191   11.376  182.162   13.350  164.012   21.738  163.645   6.0199  154.686   10.370 8.959442 11.99102 
1 1 1   -1   16   39 o   71.099   8.7958   34.639   7.6328   33.363   9.1210   37.622   13.943   69.804   9.6423   72.395   14.714 -2.591331 17.59153 
1 1 1   -1   16   40 o   99.110   6.7836   62.819   8.4092   56.491   9.9125   79.064   15.883   90.959   8.0418  107.262   10.927 -16.30218 13.56721 
1 1 1   -1   16   41 o   75.181   10.121   42.878   9.6521   52.423   12.506   28.816   15.180   87.349   10.565   63.014   17.265 24.33453 20.24132 
1 1 1   -1   16   42 o  181.617   7.6634  225.248   18.861  225.248   18.861   0.0000   0.0000  181.617   7.6634  ?   ?       ?      ? 
1 1 1   -1   16   43 o   88.920   10.304   56.334   11.655   80.678   17.192   35.636   15.853  108.064   11.740   69.775   16.937 38.28864 20.60793 
1 1 1   -1   16   44 o   76.671   9.2160   37.968   8.8819   17.504   11.126   73.923   14.748   49.755   15.145  103.587   10.506 -53.83153 18.43201 
1 1 1   -1   16   45 o   96.124   7.3734   67.564   8.5546   73.357   10.297   54.660   15.369  103.600   7.3347   88.648   12.793 14.95148 14.74674 
1 1 1   -1   16   46 o  106.658   6.7368   77.982   8.8789   77.532   10.567   79.060   16.374  106.476   7.3237  106.840   11.309 -0.3640060 13.47354 
1 1 1   -1   16   47 o   81.407   7.6773   46.708   7.8494   48.214   9.5608   43.594   13.749   83.804   8.4187   79.010   12.841 4.794678 15.35462 
1 1 1   -1   16   48 o   52.614   12.694   20.103   8.9466   20.103   8.9466   0.0000   0.0000   52.614   12.694  ?   ?       ?      ? 
1 1 1   -1   16   49 o  135.622   7.7528  126.234   14.249  126.234   14.249   0.0000   0.0000  135.622   7.7528  ?   ?       ?      ? 
1 1 1   -1   16   50 o  100.125   7.2666   69.203   9.5182   68.141   11.956   71.042   15.728   99.383   8.8776  100.866   11.507 -1.482834 14.53321 
1 1 1   -1   16   51 o   54.581   10.192   22.736   7.7465   26.851   9.9315   16.344   12.379   60.768   12.478   48.394   16.119 12.37460 20.38464 
1 1 1   -1   16   52 o   65.836   7.9243   31.952   6.6618   24.312   10.002   38.042   8.9309   57.523   13.122   74.149   8.8881 -16.62591 15.84859 
1 1 1   -1   16   53 o   52.224   9.0044   19.729   6.2431   22.410   9.7577   17.871   8.1233   55.088   13.236   49.360   12.211 5.727425 18.00871 
1 1 1   -1   16   54 o   41.150   8.5088   11.954   6.0075  -0.5656   9.5129   20.260   7.7479   29.561   12.823   52.738   11.188 -23.17747 17.01752 
1 1 1   -1   16   55 o   58.436   8.3908   24.726   6.3600   27.090   9.8144   23.015   8.3506   60.713   12.349   56.159   11.363 4.554932 16.78156 
1 1 1   -1   16   56 o   35.695   9.2153   7.8693   5.7983   5.5821   9.3192   9.3140   7.4065   34.445   13.573   36.944   12.469 -2.498821 18.43067 
1 1 1   -1   16   57 o   32.810   9.0385   5.3823   5.7503   4.3445   8.9821   6.1031   7.4852   32.763   13.186   32.857   12.365 -0.9336853E-01 18.07706 
1 1 1   -1   16   58 o   68.733   9.7073   33.288   9.0415   0.0000   0.0000   33.288   9.0415  ?   ?    68.733   9.7073      ?      ? 
1 1 1   -1   16   59 o  119.245   7.3787   98.743   11.924   0.0000   0.0000   98.743   11.924  ?   ?   119.245   7.3787      ?      ? 
1 1 1   -1   16   60 o   46.934   12.494   16.635   8.0868   0.0000   0.0000   16.635   8.0868  ?   ?    46.934   12.494      ?      ? 
1 1 1   -1   16   61 o   77.045   9.6216   46.834   8.3242   40.262   16.342   49.136   9.6730   70.528   17.243   83.562   8.5422 -13.03423 19.24325 
1 1 1   -1   16   62 o   83.353   8.9779   53.259   8.6283   48.475   16.194   55.155   10.196   78.271   15.812   88.435   8.5079 -10.16450 17.95583 
1 1 1   -1   16   63 o   45.285   11.226   13.182   9.1537   24.944   13.663   3.6015   12.330   55.322   16.770   35.247   14.927 20.07466 22.45109 
1 1 1   -1   16   64 o   69.030   10.886   38.218   9.9253   36.596   14.238   39.753   13.844   67.231   15.880   70.829   14.895 -3.597740 21.77284 
1 1 1   -1   16   65 o   35.118   10.291   2.6157   8.5405  -6.0911   11.910   11.833   12.254   28.661   13.213   41.576   15.780 -12.91465 20.58133 
1 1 1   -1   16   66 o   48.930   11.513   19.433   9.0524   15.797   13.417   22.471   12.264   45.528   16.661   52.333   15.894 -6.805138 23.02639 
1 1 1   -1   16   67 o   26.113   8.6488  -9.3821   7.8709 -16.3983   11.488  -3.1755   10.805   23.596   11.454   28.630   12.962 -5.033546 17.29753 
1 1 1   -1   16   68 o   46.342   11.196   17.029   8.6146   12.484   12.143   21.635   12.223   41.649   15.733   51.034   15.934 -9.384880 22.39183 
1 1 1   -1   16   69 o   64.580   11.115   34.841   9.6536   37.481   13.606   32.165   13.699   67.490   15.237   61.671   16.187 5.818970 22.23070 
1 1 1   -1   16   70 o   53.717   11.825   24.942   9.5663   26.946   13.307   22.799   13.762   55.977   16.453   51.457   16.989 4.519440 23.64987 
1 1 1   -1   16   71 o   30.057   9.5604  -1.6787   8.1728  -0.2426   11.220  -3.3019   11.928   30.533   13.560   29.581   13.480 0.9521732 19.12079 
1 1 1   -1   16   72 o   33.302   14.246   3.8013   11.432   3.8013   11.432   0.0000   0.0000   33.302   14.246  ?   ?       ?      ? 
1 1 1   -1   16   73 o   29.067   13.177  -2.1227   11.208  -2.1227   11.208   0.0000   0.0000   29.067   13.177  ?   ?       ?      ? 
1 1 1   -1   16   74 o   45.076   11.337   17.469   9.1456   23.528   12.421   10.294   13.517   51.184   16.075   38.968   15.992 12.21677 22.67470 
1 1 1   -1   16   75 o   30.446   9.4744  -1.7304   8.3759   8.6674   11.140 -15.2500   12.703   36.075   14.627   24.816   12.046 11.25865 18.94880 
1 1 1   -1   16   76 o   43.442   11.562   16.988   9.2178   16.796   12.280   17.235   13.951   43.278   15.924   43.606   16.769 -0.3276367 23.12494 
1 1 1   -1   16   77 o   37.882   10.108   7.8043   8.7677   23.068   11.899 -10.3277   12.969   49.339   15.762   26.425   12.660 22.91438 20.21655 
1 1 1   -1   16   78 o   45.069   17.048   20.664   14.270   0.0000   0.0000   20.664   14.270  ?   ?    45.069   17.048      ?      ? 
1 1 1   -1   16   79 o   34.801   15.288   7.4330   13.895   0.0000   0.0000   7.4330   13.895  ?   ?    34.801   15.288      ?      ? 
1 1 1   -1   17    1 o  189.557   5.0743  244.324   12.990  243.729   17.648  245.027   19.191  189.334   6.8782  189.780   7.4623 -0.4458771 10.14866 
1 1 1   -1   17    2 o  146.254   5.2648  144.415   10.374  135.907   13.801  155.465   15.728  141.359   7.2046  151.149   7.6789 -9.790741 10.52956 
1 1 1   -1   17    3 o  118.061   5.7305   96.330   9.0201  106.180   12.150   84.236   13.463  124.948   7.1757  111.175   8.9365 13.77290 11.46091 
1 1 1   -1   17    4 o  126.640   5.5966  111.334   9.4139  127.640   12.799   92.118   13.894  137.013   6.8936  116.268   8.8186 20.74467 11.19323 
1 1 1   -1   17    5 o   79.840   6.9899   43.548   7.4849   43.840   9.9205   43.163   11.405   80.192   9.1289   79.487   10.588 0.7058868 13.97988 
1 1 1   -1   17    6 o  161.714   5.2404  180.022   11.341  205.549   15.711  152.250   16.387  173.888   6.6673  149.540   8.0867 24.34834 10.48078 
1 1 1   -1   17    7 o  244.926   5.0572  407.380   16.752  398.625   22.881  417.496   24.595  242.116   6.9736  247.735   7.3261 -5.618652 10.11449 
1 1 1   -1   17    8 o   90.714   6.6209   55.053   8.0611   47.308   10.597   65.687   12.418   83.285   9.3896   98.142   9.3371 -14.85696 13.24183 
1 1 1   -1   17    9 o  120.341   5.6527   98.366   9.1893   95.860   12.445  101.371   13.627  118.678   7.7380  122.005   8.2423 -3.326698 11.30538 
1 1 1   -1   17   10 o  158.536   5.1033  169.729   10.915  158.281   14.620  184.147   16.407  152.552   7.0722  164.520   7.3594 -11.96758 10.20669 
1 1 1   -1   17   11 o  101.575   6.1610   71.229   8.3615   78.030   11.296   62.987   12.435  107.066   7.7857   96.083   9.5506 10.98337 12.32199 
1 1 1   -1   17   12 o   90.803   8.8680   61.541   9.7058   44.577   15.899   71.618   12.254   79.102   15.386  102.504   8.8217 -23.40252 17.73593 
1 1 1   -1   17   13 o  153.104   6.2885  157.328   12.230  152.892   14.801  166.876   21.713  149.908   7.2861  156.301   10.251 -6.392593 12.57693 
1 1 1   -1   17   14 o  167.221   6.2353  189.760   13.269  188.135   16.160  193.122   23.247  166.298   7.1710  168.143   10.203 -1.844940 12.47057 
1 1 1   -1   17   15 o  230.167   5.7525  348.005   15.272  337.009   17.366  385.531   32.080  222.729   5.7535  237.606   9.9631 -14.87639 11.50509 
1 1 1   -1   17   16 o  181.265   6.2822  222.398   14.536  219.224   17.732  228.901   25.383  179.493   7.2901  183.037   10.233 -3.543716 12.56444 
1 1 1   -1   17   17 o  195.157   6.4109  266.251   15.958  280.686   19.816  239.621   26.915  203.108   7.1995  187.206   10.610 15.90137 12.82171 
1 1 1   -1   17   18 o  227.846   6.0669  370.440   16.038  387.811   18.662  321.368   31.366  238.916   5.7640  216.776   10.677 22.14005 12.13374 
1 1 1   -1   17   19 o  162.884   6.1118  185.169   11.609  189.552   13.452  172.379   22.979  167.014   5.9437  158.754   10.681 8.260406 12.22369 
1 1 1   -1   17   20 o  149.858   6.0178  147.307   10.666  141.612   12.259  165.044   21.635  144.331   6.2679  155.385   10.275 -11.05391 12.03551 
1 1 1   -1   17   21 o   48.376   10.007   17.616   6.8802   20.803   7.9365   7.9742   13.803   54.149   11.186   42.604   16.597 11.54496 20.01455 
1 1 1   -1   17   22 o   90.921   7.4594   54.666   7.8683   52.986   8.9750   60.246   16.357   88.216   7.5076   93.626   12.892 -5.409378 14.91882 
1 1 1   -1   17   23 f   93.951   7.2425   60.084   9.2210   60.084   9.2210   0.0000   0.0000   93.951   7.2425  ?   ?       ?      ? 
1 1 1   -1   17   24 o   59.855   9.7043   24.479   7.8713   24.479   7.8713   0.0000   0.0000   59.855   9.7043  ?   ?       ?      ? 
1 1 1   -1   17   25 o   96.565   8.3927   72.285   8.4607   78.713   9.7167   52.132   17.206  107.564   6.6660   85.565   15.405 21.99898 16.78549 
1 1 1   -1   17   26 o  130.779   6.4697  120.276   9.8095  123.774   11.354  109.978   19.482  134.914   6.2101  126.643   11.352 8.271431 12.93942 
1 1 1   -1   17   27 o  147.958   6.0973  151.968   10.570  154.648   12.257  144.191   20.878  150.817   5.9970  145.098   10.618 5.718231 12.19455 
1 1 1   -1   17   28 o   79.619   8.0724   41.111   7.6060   38.794   8.7164   48.506   15.573   75.398   8.5309   83.840   13.707 -8.441833 16.14485 
1 1 1   -1   17   29 o   73.577   9.2836   43.714   7.6428   50.133   8.9995   27.110   14.475   85.757   7.7441   61.397   16.875 24.35991 18.56712 
1 1 1   -1   17   30 o  146.838   5.8543  142.452   10.298  137.398   11.928  157.247   20.407  142.116   6.1936  151.559   9.9362 -9.443176 11.70853 
1 1 1   -1   17   31 o   85.675   7.6474   51.133   7.7813   52.005   9.0884   48.739   15.060   87.330   7.6796   84.021   13.227 3.309212 15.29484 
1 1 1   -1   17   32 o   92.217   7.2577   56.059   7.9988   53.693   9.2414   63.127   15.970   88.724   7.6862   95.710   12.313 -6.985718 14.51544 
1 1 1   -1   17   33 o   53.136   10.027   21.034   7.0099   22.935   8.2570   16.128   13.265   56.823   11.121   49.449   16.687 7.373539 20.05328 
1 1 1   -1   17   34 o  169.274   5.8143  196.163   11.758  196.628   13.721  194.878   22.814  169.983   5.9566  168.565   9.9872 1.417374 11.62866 
1 1 1   -1   17   35 o   93.511   7.0715   58.298   8.1251   56.069   9.5583   64.103   15.427   90.615   7.7839   96.407   11.808 -5.791168 14.14309 
1 1 1   -1   17   36 o   56.087   9.7692   22.303   6.9156   21.912   8.2404   23.233   12.718   55.414   11.355   56.759   15.900 -1.344872 19.53838 
1 1 1   -1   17   37 o   73.946   9.1401   37.184   8.7303   25.215   11.350   54.524   13.661   59.000   14.337   88.892   11.341 -29.89195 18.28021 
1 1 1   -1   17   38 o  117.653   10.721   95.417   17.093   0.0000   0.0000   95.417   17.093  ?   ?   117.653   10.721      ?      ? 
1 1 1   -1   17   39 o   87.786   8.8581   58.417   9.4303   71.880   12.268   38.974   14.743  102.360   8.8444   73.213   15.351 29.14729 17.71622 
1 1 1   -1   17   40 o   91.161   7.4206   59.002   8.2734   61.438   9.9053   53.381   15.046   94.747   7.7147   87.574   12.679 7.172241 14.84128 
1 1 1   -1   17   41 o   71.607   8.4272   35.419   7.4366   34.088   8.9685   38.347   13.305   70.371   9.4046   72.843   13.987 -2.472099 16.85436 
1 1 1   -1   17   42 o   47.330   10.371   14.994   6.9801   13.155   8.4768   18.868   12.301   43.214   13.232   51.445   15.972 -8.231064 20.74109 
1 1 1   -1   17   43 o  119.097   6.6702  100.420   9.7309  104.240   11.651   91.607   17.695  123.424   6.9657  114.770   11.377 8.654419 13.34040 
1 1 1   -1   17   44 o  127.659   7.8328  111.895   13.550  111.895   13.550   0.0000   0.0000  127.659   7.8328  ?   ?       ?      ? 
1 1 1   -1   17   45 o   84.313   9.6418   49.206   11.016   49.206   11.016   0.0000   0.0000   84.313   9.6418  ?   ?       ?      ? 
1 1 1   -1   17   46 o   90.954   7.7270   57.851   9.0899   58.194   11.317   57.228   15.260   91.735   9.1033   90.172   12.488 1.563118 15.45407 
1 1 1   -1   17   47 o   89.432   10.426   55.760   12.636   55.760   12.636   0.0000   0.0000   89.432   10.426  ?   ?       ?      ? 
1 1 1   -1   17   48 o  104.553   9.3363   75.908   13.228   75.908   13.228   0.0000   0.0000  104.553   9.3363  ?   ?       ?      ? 
1 1 1   -1   17   49 o   84.059   8.3002   54.656   7.9566   60.629   9.5502   41.104   14.386   93.787   7.5142   74.330   14.802 19.45727 16.60049 
1 1 1   -1   17   50 o   49.047   9.9469   17.502   6.7034   16.897   8.2432   18.682   11.518   47.844   12.556   50.249   15.431 -2.404720 19.89384 
1 1 1   -1   17   51 o   63.226   9.0564   27.594   7.1144   23.777   8.5871   35.950   12.704   57.009   11.512   69.442   13.984 -12.43314 18.11275 
1 1 1   -1   17   52 o   70.129   8.1121   32.533   7.3113   27.783   8.8063   43.071   13.117   62.778   10.352   77.480   12.493 -14.70179 16.22410 
1 1 1   -1   17   53 o   33.996   9.5051   5.5421   6.3460   6.6431   7.8643   3.4868   10.744   33.868   12.689   34.124   14.156 -0.2560806 19.01015 
1 1 1   -1   17   54 o   91.594   10.412   65.736   11.734   52.465   19.103   73.779   14.871   81.371   17.818  101.816   10.778 -20.44579 20.82386 
1 1 1   -1   17   55 o   60.899   15.845   29.049   13.201   0.0000   0.0000   29.049   13.201  ?   ?    60.899   15.845      ?      ? 
1 1 1   -1   17   56 o   63.882   9.8984   28.998   8.5689   0.0000   0.0000   28.998   8.5689  ?   ?    63.882   9.8984      ?      ? 
1 1 1   -1   17   57 o   36.656   10.203   7.4152   6.8445   4.9018   13.759   8.2417   7.8901   37.861   15.886   35.451   12.806 2.409828 20.40514 
1 1 1   -1   17   58 o   67.996   9.8730   37.211   7.9016   31.016   15.278   39.473   9.2324   61.404   17.506   74.589   9.1339 -13.18484 19.74603 
1 1 1   -1   17   59 o   30.690   9.0610   2.6921   6.3819 -10.2345   13.068   6.7402   7.3133   28.426   13.348   32.954   12.258 -4.528484 18.12207 
1 1 1   -1   17   60 o   50.939   11.763   20.695   9.2756   22.980   14.105   18.954   12.312   52.997   17.185   48.881   16.066 4.115997 23.52554 
1 1 1   -1   17   61 o   46.954   11.251   15.350   8.9264   26.811   13.791   7.0869   11.710   56.821   16.763   37.087   15.011 19.73372 22.50121 
1 1 1   -1   17   62 o   50.996   10.516   20.914   8.9672   5.1777   13.511   33.301   11.988   37.088   15.662   64.903   14.038 -27.81438 21.03240 
1 1 1   -1   17   63 o   58.714   11.000   29.182   9.3567   18.436   13.877   38.142   12.670   47.940   17.021   69.488   13.940 -21.54838 22.00081 
1 1 1   -1   17   64 o   43.695   10.819   13.712   8.6900   3.4724   12.679   22.784   11.934   34.916   14.972   52.475   15.621 -17.55912 21.63725 
1 1 1   -1   17   65 o   38.463   10.686   7.6691   8.6383   16.264   12.435  -0.3475   12.009   45.268   16.108   31.657   14.046 13.61029 21.37168 
1 1 1   -1   17   66 o   65.434   11.416   36.201   10.060   36.428   14.218   35.974   14.237   65.683   16.098   65.185   16.190 0.4973297 22.83161 
1 1 1   -1   17   67 o   39.680   11.092   10.548   8.8253   10.978   12.704   10.147   12.269   40.149   15.838   39.211   15.534 0.9375534 22.18475 
1 1 1   -1   17   68 o   36.984   10.556   7.6964   8.3498   3.0124   11.796   12.401   11.821   33.202   14.341   40.767   15.493 -7.564899 21.11125 
1 1 1   -1   17   69 f   27.906   12.865  -4.6211   11.294  -4.6211   11.294   0.0000   0.0000   27.906   12.865  ?   ?       ?      ? 
1 1 1   -1   17   70 o   34.344   14.415   5.7455   11.334   5.7455   11.334   0.0000   0.0000   34.344   14.415  ?   ?       ?      ? 
1 1 1   -1   17   71 o   33.605   9.9475   3.3437   8.3087   12.454   11.328  -7.2652   12.224   39.779   15.155   27.431   12.890 12.34834 19.89493 
1 1 1   -1   17   72 o   37.381   10.755   9.7189   8.5444   8.7735   11.766   10.773   12.428   36.421   14.931   38.342   15.483 -1.921558 21.50912 
1 1 1   -1   17   73 o   37.370   10.839   10.026   8.7403   9.3097   11.788   10.900   13.026   36.487   14.949   38.253   15.699 -1.766533 21.67804 
1 1 1   -1   17   74 o   33.579   10.259   5.6753   8.5196   6.1239   11.451   5.1190   12.751   33.483   14.289   33.675   14.723 -0.1919785 20.51703 
1 1 1   -1   17   75 o   36.409   10.858   9.5828   9.1415   7.4254   12.381   12.169   13.555   34.520   14.798   38.298   15.895 -3.778214 21.71692 
1 1 1   -1   17   76 o   23.015   11.301 -16.2572   12.143   0.0000   0.0000 -16.2572   12.143  ?   ?    23.015   11.301      ?      ? 
1 1 1   -1   18    1 o  109.509   7.5051   83.511   10.777   75.756   17.126   88.595   13.866  105.073   12.028  113.945   8.9802 -8.872528 15.01029 
1 1 1   -1   18    2 o  203.318   6.1037  277.858   16.286  297.980   26.996  266.346   20.420  208.875   9.5375  197.761   7.6195 11.11417 12.20739 
1 1 1   -1   18    3 o  188.238   6.4037  244.927   15.703  230.022   25.631  253.884   19.869  183.393   10.313  193.082   7.5938 -9.688400 12.80737 
1 1 1   -1   18    4 o  209.240   7.5625  298.145   21.443   0.0000   0.0000  298.145   21.443  ?   ?   209.240   7.5625      ?      ? 
1 1 1   -1   18    5 o  245.629   6.4692  418.383   20.493  389.596   34.123  434.624   25.630  238.616   10.553  252.642   7.4862 -14.02570 12.93834 
1 1 1   -1   18    6 o  211.624   6.2861  305.109   17.259  307.206   28.974  303.956   21.487  211.974   10.086  211.273   7.5050 0.7009888 12.57220 
1 1 1   -1   18    7 o  104.199   6.3148   73.369   8.8727   65.362   11.907   83.367   13.305   97.865   8.9783  110.534   8.8823 -12.66861 12.62952 
1 1 1   -1   18    8 o  119.372   5.8414   96.278   9.3979   89.179   12.517  105.450   14.227  114.389   8.0751  124.354   8.4428 -9.964775 11.68277 
1 1 1   -1   18    9 o  132.356   5.6131  120.786   9.9441  132.848   13.527  106.605   14.668  139.701   7.1455  125.010   8.6583 14.69149 11.22610 
1 1 1   -1   18   10 o   87.156   6.9223   52.162   8.0616   53.479   10.632   50.380   12.365   88.525   8.8625   85.787   10.636 2.737541 13.84467 
1 1 1   -1   18   11 o  136.649   5.4971  126.043   10.125  116.140   13.489  138.819   15.322  130.574   7.6235  142.725   7.9220 -12.15036 10.99429 
1 1 1   -1   18   12 o   58.518   8.9789   26.357   7.3985   39.456   9.8205   9.1653   11.251   75.989   9.5367   41.047   15.216 34.94242 17.95774 
1 1 1   -1   18   13 o  119.394   6.5681   91.520   8.9001   87.048   10.015  108.311   19.407  113.119   6.5335  125.668   11.396 -12.54968 13.13619 
1 1 1   -1   18   14 o  106.175   7.2455   75.625   8.5865   74.487   9.6704   79.864   18.666  104.618   6.8211  107.733   12.785 -3.115585 14.49104 
1 1 1   -1   18   15 o  188.697   5.9183  235.155   12.805  228.683   14.536  257.568   27.052  183.411   5.8486  193.983   10.291 -10.57162 11.83660 
1 1 1   -1   18   16 o  229.939   5.7784  359.415   18.006  359.415   18.006   0.0000   0.0000  229.939   5.7784  ?   ?       ?      ? 
1 1 1   -1   18   17 f  140.301   6.1572  133.879   11.706  133.879   11.706   0.0000   0.0000  140.301   6.1572  ?   ?       ?      ? 
1 1 1   -1   18   18 o  111.192   6.6630   84.150   10.040   84.150   10.040   0.0000   0.0000  111.192   6.6630  ?   ?       ?      ? 
1 1 1   -1   18   19 o   49.776   9.5939   19.730   7.0020   24.711   7.9409   2.3224   14.844   60.096   9.7508   39.456   16.525 20.64011 19.18770 
1 1 1   -1   18   20 o   77.435   8.8490   41.714   7.5927   41.470   8.6587   42.526   15.795   77.957   8.1963   76.913   15.686 1.043541 17.69801 
1 1 1   -1   18   21 o   83.114   7.5925   40.877   7.5618   34.534   8.6073   62.336   15.830   71.085   8.9353   95.144   12.278 -24.05870 15.18508 
1 1 1   -1   18   22 o   71.913   8.6152   29.139   7.3539   21.586   8.3819   54.387   15.325   55.029   11.605   88.797   12.736 -33.76838 17.23042 
1 1 1   -1   18   23 o  121.266   6.6111  101.447   9.3128  102.240   10.728   99.024   18.758  122.547   6.4603  119.984   11.536 2.562943 13.22211 
1 1 1   -1   18   24 o   78.578   8.0709   39.728   7.5975   36.891   8.7413   48.492   15.363   73.456   8.7814   83.701   13.544 -10.24507 16.14189 
1 1 1   -1   18   25 o   82.137   8.9304   51.946   7.9839   56.547   9.2830   38.870   15.649   91.042   7.5242   73.231   16.199 17.81089 17.86085 
1 1 1   -1   18   26 f  113.302   6.9638   92.106   9.0633   96.151   10.494   80.233   17.980  118.808   6.5180  107.797   12.308 11.01062 13.92758 
1 1 1   -1   18   27 o  123.480   6.5430  106.581   9.4535  108.789   10.967  100.198   18.648  126.374   6.4041  120.586   11.412 5.787643 13.08596 
1 1 1   -1   18   28 o  112.764   6.7152   83.534   9.0167   79.766   10.390   95.028   18.146  108.132   7.0907  117.396   11.406 -9.263237 13.43045 
1 1 1   -1   18   29 o   96.762   7.8053   69.173   8.5899   73.878   9.9805   55.728   16.870  104.051   7.0782   89.473   13.914 14.57827 15.61053 
1 1 1   -1   18   30 o  167.500   6.0954  196.840   11.977  201.814   13.930  182.736   23.457  172.130   5.9720  162.869   10.628 9.261047 12.19082 
1 1 1   -1   18   31 o  145.530   6.2006  143.256   10.685  141.223   12.361  149.266   21.254  143.924   6.3376  147.137   10.660 -3.213165 12.40128 
1 1 1   -1   18   32 o   74.437   9.3627   37.551   9.0790   30.527   11.548   48.921   14.692   65.030   13.544   83.844   12.931 -18.81353 18.72539 
1 1 1   -1   18   33 o  103.254   11.836   73.958   16.562   0.0000   0.0000   73.958   16.562  ?   ?   103.254   11.836      ?      ? 
1 1 1   -1   18   34 o   47.032   9.0909   6.7478   7.5276  -8.1031   9.3031   34.908   12.811   24.664   11.476   69.400   14.102 -44.73553 18.18180 
1 1 1   -1   18   35 o   86.924   8.1327   47.226   8.8002   31.977   10.688   79.326   15.507   66.790   12.260  107.058   10.689 -40.26785 16.26547 
1 1 1   -1   18   36 o   82.829   8.1339   44.338   8.7857   35.451   10.793   61.796   15.127   71.459   11.145   94.198   11.850 -22.73881 16.26771 
1 1 1   -1   18   37 o   42.316   10.417   8.8177   7.5080   2.5459   9.4077   19.820   12.460   32.205   13.293   52.427   16.041 -20.22172 20.83349 
1 1 1   -1   18   38 f   53.726   9.6528   16.517   7.5711   5.3340   9.2989   38.510   13.040   34.626   13.585   72.827   13.717 -38.20112 19.30550 
1 1 1   -1   18   39 o   55.263   10.346   20.971   7.0994   19.362   8.2025   25.775   14.174   51.617   11.961   58.910   16.884 -7.293461 20.69160 
1 1 1   -1   18   40 o   40.409   12.809   11.416   7.8700   11.416   7.8700   0.0000   0.0000   40.409   12.809  ?   ?       ?      ? 
1 1 1   -1   18   41 o   97.711   6.9496   64.855   8.2969   62.966   9.7494   69.817   15.799   95.691   7.5184   99.731   11.690 -4.040405 13.89923 
1 1 1   -1   18   42 o  105.533   7.0105   80.732   8.8107   84.815   10.417   70.469   16.516  111.141   6.9163   99.925   12.197 11.21627 14.02106 
1 1 1   -1   18   43 o  118.408   6.1714   91.437   9.0319   83.989   10.586  111.372   17.318  110.518   7.0681  126.298   10.119 -15.78079 12.34270 
1 1 1   -1   18   44 o   41.528   10.220   10.090   6.6798   7.1654   8.0346   16.635   12.021   34.891   12.874   48.165   15.877 -13.27436 20.44043 
1 1 1   -1   18   45 o  119.394   6.4684  100.612   9.3933  102.402   11.139   96.202   17.478  122.006   6.7370  116.781   11.044 5.225723 12.93684 
1 1 1   -1   18   46 o   83.790   8.0014   53.316   7.8570   58.284   9.5241   42.734   13.901   91.786   7.6570   75.793   14.052 15.99367 16.00282 
1 1 1   -1   18   47 o   59.856   9.3260   30.059   7.1858   36.438   8.6650   16.010   12.859   72.260   8.8488   47.452   16.419 24.80779 18.65201 
1 1 1   -1   18   48 o   66.368   9.3128   38.718   7.4366   47.469   8.9067   18.576   13.513   82.645   7.9528   50.092   16.842 32.55287 18.62565 
1 1 1   -1   18   49 o   81.449   7.7532   47.157   8.3952   46.606   10.855   47.977   13.243   81.244   9.8598   81.653   11.968 -0.4092789 15.50636 
1 1 1   -1   18   50 o   58.202   12.029   25.841   9.7509   30.866   16.436   23.111   12.113   61.865   18.313   54.540   15.602 7.325737 24.05766 
1 1 1   -1   18   51 f  113.926   8.5355   94.370   12.880   93.410   20.360   95.011   16.630  112.599   13.343  115.253   10.648 -2.654846 17.07110 
1 1 1   -1   18   52 o   76.285   8.8630   42.570   8.9287   38.047   11.866   48.475   13.557   71.133   12.779   81.438   12.284 -10.30472 17.72602 
1 1 1   -1   18   53 o   77.253   11.061   43.172   11.579   43.172   11.579   0.0000   0.0000   77.253   11.061  ?   ?       ?      ? 
1 1 1   -1   18   54 o   73.178   11.409   39.038   11.314   39.038   11.314   0.0000   0.0000   73.178   11.409  ?   ?       ?      ? 
1 1 1   -1   18   55 o   30.434   9.3035  -0.1404   7.3100   4.9354   9.7584  -6.6305   11.034   33.547   13.657   27.321   12.638 6.226419 18.60707 
1 1 1   -1   18   56 o   66.642   12.726   34.004   11.074   34.004   11.074   0.0000   0.0000   66.642   12.726  ?   ?       ?      ? 
1 1 1   -1   18   57 o   46.518   14.503   17.053   10.131   17.053   10.131   0.0000   0.0000   46.518   14.503  ?   ?       ?      ? 
1 1 1   -1   18   58 o   61.853   13.306   29.931   10.822   29.931   10.822   0.0000   0.0000   61.853   13.306  ?   ?       ?      ? 
1 1 1   -1   18   59 o   65.332   12.710   33.057   10.848   33.057   10.848   0.0000   0.0000   65.332   12.710  ?   ?       ?      ? 
1 1 1   -1   18   60 o   63.642   13.124   31.773   10.942   31.773   10.942   0.0000   0.0000   63.642   13.124  ?   ?       ?      ? 
1 1 1   -1   18   61 o   45.355   16.739   16.116   13.586   16.116   13.586   0.0000   0.0000   45.355   16.739  ?   ?       ?      ? 
1 1 1   -1   18   62 o   48.346   11.321   19.380   9.2013   10.647   13.781   26.405   12.360   40.673   16.346   56.020   15.668 -15.34715 22.64262 
1 1 1   -1   18   63 o   42.190   10.817   10.378   8.7568   24.708   13.410  -0.2752   11.562   53.399   16.692   30.981   13.762 22.41867 21.63370 
1 1 1   -1   18   64 o   43.383   10.381   12.006   8.5802  -2.0340   11.861   27.418   12.427   30.153   13.622   56.613   15.667 -26.46007 20.76105 
1 1 1   -1   18   65 o   47.819   11.074   18.754   8.7834   10.226   12.146   28.103   12.717   38.787   15.428   56.850   15.890 -18.06330 22.14737 
1 1 1   -1   18   66 o   23.179   11.189 -12.7946   10.576 -12.7946   10.576   0.0000   0.0000   23.179   11.189  ?   ?       ?      ? 
1 1 1   -1   18   67 o   42.215   15.794   14.735   12.176   14.735   12.176   0.0000   0.0000   42.215   15.794  ?   ?       ?      ? 
1 1 1   -1   18   68 o   34.545   10.085   2.6832   8.4158  -8.4827   11.343   16.354   12.551   25.715   12.184   43.375   16.073 -17.65936 20.16929 
1 1 1   -1   18   69 o   40.903   11.231   14.051   8.9078   13.032   12.299   15.175   12.919   39.924   15.635   41.882   16.128 -1.957233 22.46294 
1 1 1   -1   18   70 o   33.123   10.105   4.2899   8.3627  -0.4445   11.388   9.8307   12.320   29.351   13.296   36.896   15.219 -7.545061 20.20901 
1 1 1   -1   18   71 o   36.228   10.549   8.6900   8.5898   2.5302   11.763   15.727   12.573   31.139   13.854   41.317   15.911 -10.17852 21.09729 
1 1 1   -1   18   72 o   43.301   11.363   17.485   9.1606   10.176   12.272   26.681   13.766   36.206   15.083   50.396   16.999 -14.19039 22.72595 
1 1 1   -1   18   73 o   29.630   13.643  -0.1528   12.644   0.0000   0.0000  -0.1528   12.644  ?   ?    29.630   13.643      ?      ? 
1 1 1   -1   19    1 o  129.787   5.7328  114.505   10.033  110.273   13.434  119.841   15.086  127.124   7.7983  132.449   8.4050 -5.325439 11.46554 
1 1 1   -1   19    2 o  166.113   5.3740  188.537   12.029  191.374   16.245  185.094   17.898  167.562   7.1541  164.664   8.0210 2.897751 10.74792 
1 1 1   -1   19    3 o  109.892   6.3376   84.854   9.1741   97.726   12.297   68.694   13.778  119.695   7.5810  100.088   10.158 19.60720 12.67511 
1 1 1   -1   19    4 o   67.648   8.7277   32.029   7.6270   29.437   9.9577   35.708   11.863   64.415   11.844   70.882   12.822 -6.467758 17.45539 
1 1 1   -1   19    5 o   98.437   6.5476   64.639   8.6150   52.828   11.257   81.335   13.384   87.838   9.4571  109.037   9.0580 -21.19948 13.09521 
1 1 1   -1   19    6 o  176.547   5.2732  213.380   12.560  223.523   17.240  201.909   18.334  181.099   7.0250  171.994   7.8662 9.105453 10.54649 
1 1 1   -1   19    7 o  182.208   5.2970  224.326   13.011  205.814   17.352  248.098   19.664  173.722   7.3708  190.694   7.6094 -16.97215 10.59392 
1 1 1   -1   19    8 o  174.309   5.4394  209.445   12.713  229.256   17.354  186.499   18.677  183.404   6.9825  165.213   8.3421 18.19109 10.87871 
1 1 1   -1   19    9 o  144.976   6.9047  131.303   12.152  117.330   14.013  173.670   24.401  131.095   7.8880  158.858   11.335 -27.76291 13.80930 
1 1 1   -1   19   10 o   78.382   10.411   45.315   9.2014   47.038   10.594   40.026   18.563   82.865   9.4346   73.900   18.562 8.965340 20.82179 
1 1 1   -1   19   11 o   83.564   9.6776   47.860   9.3590   46.420   10.838   52.083   18.561   82.286   9.7191   84.843   16.738 -2.557632 19.35524 
1 1 1   -1   19   12 o   97.156   9.0931   73.685   9.9297   84.497   11.975   49.897   17.763  111.226   7.9452   83.085   16.359 28.14132 18.18624 
1 1 1   -1   19   13 f   91.558   8.8008   66.158   8.2299   72.041   9.3908   46.681   17.088  102.811   6.7403   80.306   16.260 22.50550 17.60162 
1 1 1   -1   19   14 o   91.389   7.4437   52.776   7.8583   48.970   8.8746   66.595   16.911   84.680   7.7337   98.097   12.721 -13.41710 14.88738 
1 1 1   -1   19   15 o  119.518   6.4941   87.621   8.8809   79.829   9.9586  117.888   19.628  108.208   6.7913  130.829   11.071 -22.62081 12.98813 
1 1 1   -1   19   16 o   57.220   10.057   17.946   6.7955   12.898   7.6285   37.352   14.956   42.734   12.427   71.707   15.816 -28.97313 20.11406 
1 1 1   -1   19   17 o   49.913   9.9770   19.662   6.9595   23.310   7.9118   7.1828   14.632   57.334   10.573   42.492   16.923 14.84198 19.95399 
1 1 1   -1   19   18 o   86.821   7.6202   47.877   7.8526   43.984   8.9739   60.601   16.223   80.174   8.2597   93.468   12.808 -13.29370 15.24037 
1 1 1   -1   19   19 o  110.673   6.8964   86.912   8.8035   89.630   10.176   78.829   17.551  114.648   6.5499  106.698   12.138 7.950554 13.79279 
1 1 1   -1   19   20 o   80.894   7.9051   39.957   7.5961   35.082   8.6344   56.648   15.977   71.523   8.9085   90.265   13.061 -18.74182 15.81023 
1 1 1   -1   19   21 o   38.965   9.9691   9.3082   6.5576   11.667   7.5661   2.1869   13.147   40.890   12.498   37.040   15.535 3.849934 19.93820 
1 1 1   -1   19   22 o   86.863   7.6957   49.138   7.8290   46.420   8.9290   58.175   16.282   82.343   8.0020   91.383   13.148 -9.040337 15.39143 
1 1 1   -1   19   23 o   37.040   10.056   7.1092   6.7467   9.2981   7.7753   0.4393   13.573   37.747   12.776   36.334   15.533 1.412994 20.11167 
1 1 1   -1   19   24 o  115.434   6.6514   91.573   8.9678   91.475   10.338   91.872   18.026  115.754   6.5904  115.113   11.556 0.6417084 13.30284 
1 1 1   -1   19   25 o  102.691   7.1423   73.308   8.6505   73.891   10.046   71.636   17.012  103.952   7.1315  101.429   12.377 2.522980 14.28465 
1 1 1   -1   19   26 o  101.646   7.6340   68.202   10.171   59.290   12.587   84.969   17.265   92.675   10.023  110.617   11.518 -17.94185 15.26796 
1 1 1   -1   19   27 o  140.280   7.1199  140.929   12.919  157.548   16.657  115.844   20.465  151.517   8.1127  129.044   11.703 22.47310 14.23977 
1 1 1   -1   19   28 o  128.018   11.497  114.025   19.946   0.0000   0.0000  114.025   19.946  ?   ?   128.018   11.497      ?      ? 
1 1 1   -1   19   29 o  143.576   6.4042  141.162   10.895  140.169   12.635  144.045   21.518  143.189   6.5115  143.963   11.030 -0.7743073 12.80843 
1 1 1   -1   19   30 o  179.887   5.9761  215.395   12.704  208.091   14.618  237.941   25.682  174.511   6.1814  185.264   10.230 -10.75262 11.95217 
1 1 1   -1   19   31 o  139.254   6.3833  131.658   10.453  129.452   12.046  138.383   21.030  137.560   6.4620  140.949   11.010 -3.388824 12.76663 
1 1 1   -1   19   32 o   65.367   9.5360   28.615   7.4318   25.405   8.6510   37.655   14.520   59.454   11.147   71.280   15.475 -11.82548 19.07201 
1 1 1   -1   19   33 o   61.085   9.5548   28.127   7.1213   29.759   8.3579   23.803   13.604   65.539   9.4105   56.632   16.632 8.907810 19.10966 
1 1 1   -1   19   34 o   95.114   7.0081   60.481   8.0260   57.767   9.3138   68.309   15.819   91.649   7.4993   98.579   11.841 -6.930016 14.01624 
1 1 1   -1   19   35 o   50.305   11.979   18.511   8.0486   18.511   8.0486   0.0000   0.0000   50.305   11.979  ?   ?       ?      ? 
1 1 1   -1   19   36 o   47.815   11.919   16.749   7.6959   16.749   7.6959   0.0000   0.0000   47.815   11.919  ?   ?       ?      ? 
1 1 1   -1   19   37 o   60.423   9.3372   26.726   6.8809   27.021   8.0884   25.952   13.091   62.266   9.5858   58.580   16.026 3.686050 18.67447 
1 1 1   -1   19   38 o   72.845   9.3258   43.494   7.6593   49.170   9.0208   28.832   14.498   84.329   7.8937   61.360   16.899 22.96937 18.65158 
1 1 1   -1   19   39 f   79.008   7.9004   42.129   7.6323   39.644   8.9230   48.901   14.733   75.504   8.7208   82.511   13.176 -7.006699 15.80074 
1 1 1   -1   19   40 o   75.585   8.8765   43.660   7.6607   46.269   9.0187   36.900   14.517   81.651   8.1508   69.519   15.771 12.13187 17.75300 
1 1 1   -1   19   41 o   52.263   9.9924   21.941   7.9136   30.042   10.028   8.5702   12.883   63.938   12.015   40.587   15.969 23.35049 19.98470 
1 1 1   -1   19   42 o   58.579   10.200   25.262   7.8433   22.401   9.8694   30.167   12.922   54.512   13.444   62.647   15.343 -8.135223 20.39988 
1 1 1   -1   19   43 o   45.484   9.8606   15.503   7.3652   22.653   9.5186   4.8336   11.627   54.856   13.003   36.112   14.827 18.74377 19.72126 
1 1 1   -1   19   44 o   30.751   9.0873   1.2181   6.7164   6.5947   8.7369  -6.5498   10.502   34.568   13.276   26.933   12.413 7.635864 18.17470 
1 1 1   -1   19   45 o   51.577   10.123   20.992   7.4056   24.117   9.4803   16.101   11.861   56.538   12.686   46.616   15.779 9.922432 20.24623 
1 1 1   -1   19   46 o   48.985   9.4118   17.171   8.0178   33.065   10.917  -1.4408   11.814   66.356   12.602   31.613   13.983 34.74342 18.82354 
1 1 1   -1   19   47 o   55.333   10.658   23.769   8.1753   21.085   10.894   27.230   12.369   51.962   14.772   58.705   15.368 -6.743294 21.31658 
1 1 1   -1   19   48 o   39.083   10.413   9.2933   7.5151   6.3542   9.9736   13.154   11.431   35.224   13.990   42.943   15.427 -7.718540 20.82522 
1 1 1   -1   19   49 o   48.946   10.603   18.999   7.8437   22.354   10.442   14.655   11.883   53.372   14.192   44.519   15.756 8.852631 21.20547 
1 1 1   -1   19   50 f   85.862   8.0638   53.493   9.2515   51.216   12.024   56.797   14.484   84.101   10.550   87.622   12.198 -3.520828 16.12754 
1 1 1   -1   19   51 o   60.955   9.8636   30.341   8.3817   40.250   11.243   17.944   12.576   74.149   11.189   47.761   16.247 26.38818 19.72722 
1 1 1   -1   19   52 o   43.327   14.577   14.365   10.123   14.365   10.123   0.0000   0.0000   43.327   14.577  ?   ?       ?      ? 
1 1 1   -1   19   53 o   61.131   13.346   29.263   10.746   29.263   10.746   0.0000   0.0000   61.131   13.346  ?   ?       ?      ? 
1 1 1   -1   19   54 o   26.189   11.889  -3.4105   9.1675  -3.4105   9.1675   0.0000   0.0000   26.189   11.889  ?   ?       ?      ? 
1 1 1   -1   19   55 o   34.719   13.750   6.8080   9.6103   6.8080   9.6103   0.0000   0.0000   34.719   13.750  ?   ?       ?      ? 
1 1 1   -1   19   56 o   39.613   14.026   11.668   9.4174   11.668   9.4174   0.0000   0.0000   39.613   14.026  ?   ?       ?      ? 
1 1 1   -1   19   57 o   26.866   12.009  -1.6528   8.9482  -1.6528   8.9482   0.0000   0.0000   26.866   12.009  ?   ?       ?      ? 
1 1 1   -1   19   58 o   40.725   14.247   12.758   9.6950   12.758   9.6950   0.0000   0.0000   40.725   14.247  ?   ?       ?      ? 
1 1 1   -1   19   59 o   44.674   14.218   16.210   9.6893   16.210   9.6893   0.0000   0.0000   44.674   14.218  ?   ?       ?      ? 
1 1 1   -1   19   60 f   26.410   11.761  -1.0640   8.4992  -1.0640   8.4992   0.0000   0.0000   26.410   11.761  ?   ?       ?      ? 
1 1 1   -1   19   61 o   36.483   13.631   9.5942   9.0638   9.5942   9.0638   0.0000   0.0000   36.483   13.631  ?   ?       ?      ? 
1 1 1   -1   19   62 o   25.402   12.023  -8.7234   10.988  -8.7234   10.988   0.0000   0.0000   25.402   12.023  ?   ?       ?      ? 
1 1 1   -1   19   63 o   19.935   9.8666 -19.2026   9.9034 -19.2026   9.9034   0.0000   0.0000   19.935   9.8666  ?   ?       ?      ? 
1 1 1   -1   19   64 o   26.639   12.364  -4.7647   10.693  -4.7647   10.693   0.0000   0.0000   26.639   12.364  ?   ?       ?      ? 
1 1 1   -1   19   65 o   41.150   13.656   14.395   8.8867   14.395   8.8867   0.0000   0.0000   41.150   13.656  ?   ?       ?      ? 
1 1 1   -1   19   66 o   43.588   13.558   16.552   8.8596   16.552   8.8596   0.0000   0.0000   43.588   13.558  ?   ?       ?      ? 
1 1 1   -1   19   67 o   35.903   14.840   9.3736   11.748   9.3736   11.748   0.0000   0.0000   35.903   14.840  ?   ?       ?      ? 
1 1 1   -1   19   68 o   34.651   14.750   8.0207   12.144   8.0207   12.144   0.0000   0.0000   34.651   14.750  ?   ?       ?      ? 
1 1 1   -1   19   69 o   32.875   10.088   4.9263   8.6106  -2.0645   11.925   12.542   12.446   28.147   13.061   37.603   15.379 -9.456514 20.17696 
1 1 1   -1   20    1 o  106.935   8.2939   79.596   10.505   79.870   12.217   78.821   20.577  107.911   8.3543  105.959   14.330 1.951599 16.58784 
1 1 1   -1   20    2 o  148.169   7.4891  161.186   13.085  173.148   15.494  131.430   24.436  159.135   7.1846  137.202   13.143 21.93369 14.97822 
1 1 1   -1   20    3 o  122.926   6.3018  107.693   10.099  129.423   13.595   80.941   15.085  137.561   7.2930  108.291   10.279 29.27085 12.60357 
1 1 1   -1   20    4 o   70.054   8.8197   35.209   7.9642   37.113   10.331   32.419   12.504   73.309   10.399   66.799   14.248 6.510269 17.63938 
1 1 1   -1   20    5 o   72.631   8.5009   36.943   8.0315   35.916   10.381   38.475   12.676   72.082   10.628   73.180   13.271 -1.097488 17.00172 
1 1 1   -1   20    6 o   71.185   10.320   35.823   8.9725   35.141   10.640   37.504   16.695   71.242   11.021   71.129   17.452 0.1130219 20.64013 
1 1 1   -1   20    7 o   44.493   11.210   12.271   7.9535   12.603   9.3523   11.402   15.118   42.959   13.997   46.026   17.514 -3.066269 22.41988 
1 1 1   -1   20    8 o   92.514   8.4980   59.121   9.5780   58.597   11.289   60.469   18.096   92.308   9.0246   92.721   14.402 -0.4130249 16.99602 
1 1 1   -1   20    9 o  131.231   7.1835  117.824   11.585  116.321   13.715  121.567   21.647  130.297   7.7675  132.165   12.086 -1.868546 14.36695 
1 1 1   -1   20   10 o  124.244   7.6002  113.180   11.330  122.213   13.569   92.382   20.589  133.598   7.4950  114.891   13.224 18.70710 15.20033 
1 1 1   -1   20   11 o   63.844   10.859   26.255   8.7182   20.092   10.319   41.625   16.296   52.554   14.167   75.133   16.461 -22.57901 21.71792 
1 1 1   -1   20   12 o  111.004   7.3689   77.945   10.274   67.258   12.105  105.479   19.430   98.850   9.0365  123.157   11.642 -24.30686 14.73779 
1 1 1   -1   20   13 f   79.403   9.9294   47.943   9.4349   52.679   11.462   37.989   16.617   87.367   9.6809   71.439   17.339 15.92786 19.85886 
1 1 1   -1   20   14 o   87.016   9.2922   57.346   9.5414   63.379   11.633   44.944   16.679   95.943   8.9472   78.090   16.289 17.85351 18.58433 
1 1 1   -1   20   15 o   80.227   9.3025   46.475   8.9831   47.478   10.802   44.224   16.176   82.923   9.6125   77.530   15.929 5.392426 18.60496 
1 1 1   -1   20   16 o   66.996   10.474   35.190   8.8362   39.852   10.605   24.602   15.981   75.846   10.318   58.145   18.230 17.70130 20.94699 
1 1 1   -1   20   17 o   47.020   10.440   16.110   8.2623   23.276   9.9849   0.5455   14.715   56.471   13.272   37.569   16.120 18.90168 20.88055 
1 1 1   -1   20   18 o   39.398   10.879   6.3245   7.7699   4.1477   9.2198   11.659   14.433   33.378   13.386   45.418   17.153 -12.04075 21.75807 
1 1 1   -1   20   19 o   62.137   17.079   28.810   14.826   0.0000   0.0000   28.810   14.826  ?   ?    62.137   17.079      ?      ? 
1 1 1   -1   20   20 o   98.562   10.110   70.872   12.813   53.980   18.236   87.343   18.007   85.421   16.349  111.702   11.896 -26.28133 20.21917 
1 1 1   -1   20   21 o   81.691   10.823   48.200   11.697   56.471   17.200   41.084   15.955   89.139   14.239   74.243   16.304 14.89651 21.64679 
1 1 1   -1   20   22 f   45.573   16.952   12.430   13.987   0.0000   0.0000   12.430   13.987  ?   ?    45.573   16.952      ?      ? 
1 1 1   -1   20   23 o   34.935   10.123   3.6462   7.7220   7.4207   9.4740  -3.8245   13.329   36.832   13.901   33.039   14.720 3.793686 20.24610 
1 1 1   -1   20   24 o   73.773   10.033   43.023   8.8980   48.657   10.761   30.847   15.821   83.746   9.4825   63.800   17.685 19.94546 20.06676 
1 1 1   -1   20   25 o  118.211   6.9568   95.282   10.450   91.798   12.639  102.810   18.577  115.362   8.0847  121.060   11.324 -5.697975 13.91362 
1 1 1   -1   20   26 o   52.178   11.058   18.252   7.9274   14.843   9.4718   26.226   14.485   45.383   14.003   58.973   17.117 -13.59032 22.11507 
1 1 1   -1   20   27 o   76.287   9.3891   44.221   8.6517   48.062   10.580   36.465   15.032   83.140   9.3903   69.434   16.262 13.70589 18.77817 
1 1 1   -1   20   28 o   57.973   10.627   22.780   8.0014   17.902   9.6159   33.761   14.427   49.214   13.840   66.731   16.132 -17.51629 21.25482 
1 1 1   -1   20   29 o   88.999   9.1539   55.115   11.040   55.115   11.040   0.0000   0.0000   88.999   9.1539  ?   ?       ?      ? 
1 1 1   -1   20   30 o   91.021   9.0229   57.667   11.129   57.667   11.129   0.0000   0.0000   91.021   9.0229  ?   ?       ?      ? 
1 1 1   -1   20   31 o   59.526   9.7015   31.093   8.5352   43.154   10.359   5.5919   15.063   78.516   9.7356   40.537   16.784 37.97976 19.40295 
1 1 1   -1   20   32 o   74.602   8.9330   35.664   8.3208   26.935   9.9019   56.640   15.350   60.370   12.515   88.834   12.751 -28.46460 17.86602 
1 1 1   -1   20   33 o   42.600   10.616   8.4374   7.5459   2.3234   9.0555   22.328   13.649   31.051   12.948   54.148   16.826 -23.09707 21.23132 
1 1 1   -1   20   34 o  101.987   7.2971   70.810   9.5133   65.829   11.502   81.597   16.926   97.102   8.7411  106.871   11.687 -9.769943 14.59418 
1 1 1   -1   20   35 o   75.764   9.2592   48.272   7.5768   54.285   8.8096   31.186   14.851   88.520   7.3440   63.008   17.000 25.51181 18.51841 
1 1 1   -1   20   36 o   58.195   9.5099   26.422   6.8468   28.125   8.0032   21.771   13.224   63.237   9.3391   53.152   16.569 10.08528 19.01989 
1 1 1   -1   20   37 f   43.803   9.8215   10.054   6.2608   4.7873   7.2831   24.962   12.254   30.949   12.056   56.658   15.508 -25.70828 19.64293 
1 1 1   -1   20   38 o   56.647   9.7232   24.019   6.7224   23.621   7.8046   25.164   13.232   56.777   10.531   56.518   16.348 0.2586861 19.44640 
1 1 1   -1   20   39 o   42.451   10.056   12.239   6.3147   10.754   7.4701   15.957   11.820   38.564   12.506   46.337   15.751 -7.773117 20.11241 
1 1 1   -1   20   40 o   32.626   9.3711   4.6120   6.1622   5.6130   7.3403   2.2227   11.341   31.809   12.180   33.443   14.245 -1.634457 18.74217 
1 1 1   -1   20   41 o   34.855   9.8594   4.9040   7.4540   10.496   9.9912  -2.1159   11.194   39.447   14.386   30.262   13.486 9.185516 19.71881 
1 1 1   -1   20   42 o   51.894   10.684   20.901   7.9388   18.014   10.540   24.686   12.069   48.118   14.759   55.669   15.451 -7.551311 21.36753 
1 1 1   -1   20   43 o   71.736   9.5338   39.848   8.8960   43.909   11.832   34.566   13.493   77.629   11.247   65.843   15.397 11.78523 19.06764 
1 1 1   -1   20   44 o   65.759   9.9123   34.063   8.5215   36.553   10.931   30.206   13.606   70.654   11.417   60.864   16.207 9.789707 19.82463 
1 1 1   -1   20   45 o   44.783   9.0459   9.6621   7.3514  -5.6278   9.5467   31.937   11.523   25.597   11.810   63.968   13.705 -38.37166 18.09175 
1 1 1   -1   20   46 o   41.731   10.117   12.564   7.5101   19.156   9.9683   3.9099   11.421   49.171   14.179   34.291   14.435 14.88001 20.23436 
1 1 1   -1   20   47 o   32.073   9.4934   2.6273   7.1660   7.2971   9.8329  -2.6624   10.465   35.565   13.965   28.581   12.864 6.983828 18.98689 
1 1 1   -1   20   48 o   34.196   13.770   5.9414   9.8002   5.9414   9.8002   0.0000   0.0000   34.196   13.770  ?   ?       ?      ? 
1 1 1   -1   20   49 o   45.905   14.218   16.753   9.7544   16.753   9.7544   0.0000   0.0000   45.905   14.218  ?   ?       ?      ? 
1 1 1   -1   20   50 o   52.613   13.559   22.094   9.7280   22.094   9.7280   0.0000   0.0000   52.613   13.559  ?   ?       ?      ? 
1 1 1   -1   20   51 o   37.754   13.830   10.115   9.2478   10.115   9.2478   0.0000   0.0000   37.754   13.830  ?   ?       ?      ? 
1 1 1   -1   20   52 o   29.532   12.698   1.5963   9.1666   1.5963   9.1666   0.0000   0.0000   29.532   12.698  ?   ?       ?      ? 
1 1 1   -1   20   53 o   28.168   12.356   0.0960   9.0456   0.0960   9.0456   0.0000   0.0000   28.168   12.356  ?   ?       ?      ? 
1 1 1   -1   20   54 o   44.618   14.109   16.156   9.5537   16.156   9.5537   0.0000   0.0000   44.618   14.109  ?   ?       ?      ? 
1 1 1   -1   20   55 o   40.499   13.971   12.896   9.3065   12.896   9.3065   0.0000   0.0000   40.499   13.971  ?   ?       ?      ? 
1 1 1   -1   20   56 o   42.669   14.031   14.838   9.3899   14.838   9.3899   0.0000   0.0000   42.669   14.031  ?   ?       ?      ? 
1 1 1   -1   20   57 o   25.764   11.648  -2.1576   8.6905  -2.1576   8.6905   0.0000   0.0000   25.764   11.648  ?   ?       ?      ? 
1 1 1   -1   20   58 o   32.873   14.191   3.6831   11.539   3.6831   11.539   0.0000   0.0000   32.873   14.191  ?   ?       ?      ? 
1 1 1   -1   20   59 o   29.133   13.280  -2.1577   11.586  -2.1577   11.586   0.0000   0.0000   29.133   13.280  ?   ?       ?      ? 
1 1 1   -1   20   60 o   26.852   11.924  -0.0134   8.6738  -0.0134   8.6738   0.0000   0.0000   26.852   11.924  ?   ?       ?      ? 
1 1 1   -1   20   61 o   21.246   10.118  -7.5499   8.0197  -7.5499   8.0197   0.0000   0.0000   21.246   10.118  ?   ?       ?      ? 
1 1 1   -1   20   62 o   24.389   11.176  -2.5980   8.3465  -2.5980   8.3465   0.0000   0.0000   24.389   11.176  ?   ?       ?      ? 
1 1 1   -1   20   63 o   37.941   13.568   12.390   8.8335   12.390   8.8335   0.0000   0.0000   37.941   13.568  ?   ?       ?      ? 
1 1 1   -1   20   64 f   22.699   10.609  -4.3206   8.0913  -4.3206   8.0913   0.0000   0.0000   22.699   10.609  ?   ?       ?      ? 
1 1 1   -1   20   65 o   41.513   13.920   16.158   9.2301   16.158   9.2301   0.0000   0.0000   41.513   13.920  ?   ?       ?      ? 
1 1 1   -1   21    1 o   47.069   10.022   16.176   6.9400   17.795   9.2469   14.089   10.502   49.218   13.471   44.920   14.842 4.297794 20.04367 
1 1 1   -1   21    2 o   28.646   8.8608  -1.3585   6.4861  -1.7999   8.6340  -0.7868   9.8266   27.324   12.026   29.968   13.016 -2.644575 17.72153 
1 1 1   -1   21    3 o   34.961   9.4390   5.3577   6.6692   10.934   8.9135  -1.7341   10.052   40.289   13.678   29.633   13.011 10.65608 18.87805 
1 1 1   -1   21    4 o   54.654   9.6044   21.504   7.0727   17.391   9.3137   27.106   10.870   48.679   13.596   60.629   13.569 -11.95005 19.20880 
1 1 1   -1   21    5 o   56.832   9.0651   24.601   7.2864   35.731   9.8911   11.393   10.775   71.589   10.196   42.075   14.992 29.51405 18.13020 
1 1 1   -1   21    6 o   42.015   10.099   10.853   7.0015   6.1380   9.1703   17.444   10.841   35.098   13.568   48.932   14.962 -13.83382 20.19758 
1 1 1   -1   21    7 o   34.720   9.7182   4.6061   6.7922   1.7210   8.9465   8.5317   10.436   30.624   12.828   38.815   14.602 -8.190426 19.43647 
1 1 1   -1   21    8 f   58.183   9.2123   25.817   7.3033   33.314   9.6995   16.001   11.098   69.066   10.363   47.299   15.234 21.76693 18.42466 
1 1 1   -1   21    9 o   58.643   9.4217   24.839   7.2385   21.882   9.4064   29.133   11.335   54.495   12.932   62.790   13.706 -8.294365 18.84349 
1 1 1   -1   21   10 o   28.785   8.8864  -0.9890   6.4085  -0.8365   8.2012  -1.2282   10.270   27.304   11.875   30.266   13.223 -2.961439 17.77283 
1 1 1   -1   21   11 o   59.425   10.101   20.917   7.7808   12.089   9.1473   44.022   14.798   41.763   13.854   77.087   14.702 -35.32428 20.20131 
1 1 1   -1   21   12 o   69.950   8.9563   28.222   7.2319   22.363   8.1044   51.122   16.023   55.508   11.161   84.393   14.010 -28.88462 17.91260 
1 1 1   -1   21   13 o   79.088   8.8426   38.941   8.6094   29.860   10.097   63.133   16.480   64.035   12.078   94.141   12.918 -30.10606 17.68514 
1 1 1   -1   21   14 o   41.613   10.536   11.450   7.5260   14.422   8.8885   3.9226   14.145   44.574   13.530   38.652   16.155 5.921246 21.07233 
1 1 1   -1   21   15 o   31.811   9.6925  -2.2839   6.2404  -4.9448   6.9820   8.2831   13.914   22.004   10.134   41.618   16.525 -19.61345 19.38504 
1 1 1   -1   21   16 o   40.211   10.716   7.0992   8.8579   16.871   11.976  -4.7032   13.162   48.347   15.843   32.075   14.433 16.27206 21.43164 
1 1 1   -1   21   17 o   60.381   10.250   29.272   8.4938   35.732   10.518   17.165   14.400   71.219   10.899   49.543   17.362 21.67647 20.49929 
1 1 1   -1   21   18 o   95.752   7.2936   63.620   8.1410   62.884   9.3631   65.901   16.481   95.485   7.2361   96.020   12.666 -0.5349808 14.58717 
1 1 1   -1   21   19 o   37.030   9.9011   8.1194   6.4558   10.164   7.3510   1.2242   13.499   38.113   12.409   35.948   15.432 2.165230 19.80225 
1 1 1   -1   21   20 o   36.488   9.1172   8.3799   6.3654   13.800   7.2982  -8.8520   13.013   43.326   12.012   29.651   13.719 13.67491 18.23444 
1 1 1   -1   21   21 o   64.430   9.6648   32.823   7.1065   34.891   8.1104   25.986   14.746   70.830   8.4497   58.031   17.385 12.79853 19.32951 
1 1 1   -1   21   22 o   74.290   9.4304   44.658   7.5963   48.415   8.7324   32.971   15.401   83.589   7.7090   64.991   17.213 18.59795 18.86081 
1 1 1   -1   21   23 o   65.345   9.0810   29.868   8.0413   29.868   8.0413   0.0000   0.0000   65.345   9.0810  ?   ?       ?      ? 
1 1 1   -1   21   24 o   44.604   12.006   14.756   7.4173   14.756   7.4173   0.0000   0.0000   44.604   12.006  ?   ?       ?      ? 
1 1 1   -1   21   25 o   45.808   10.168   15.975   6.5881   17.475   7.4537   10.615   14.085   48.553   11.505   43.063   16.768 5.490154 20.33570 
1 1 1   -1   21   26 o   79.447   7.8043   40.842   7.4141   36.622   8.4875   54.433   15.231   72.358   8.6559   86.536   12.989 -14.17786 15.60857 
1 1 1   -1   21   27 o   75.340   8.1587   36.134   7.3202   31.661   8.3385   51.167   15.286   67.110   9.1689   83.569   13.498 -16.45913 16.31745 
1 1 1   -1   21   28 o   75.342   9.1594   42.794   7.5606   43.514   8.6363   40.431   15.643   78.959   8.0713   71.726   16.445 7.232933 18.31890 
1 1 1   -1   21   29 o   59.377   9.9193   22.955   6.8847   19.059   7.8061   36.598   14.608   50.511   11.643   68.243   16.063 -17.73183 19.83852 
1 1 1   -1   21   30 o   65.888   9.2231   28.527   6.9831   25.002   7.9101   40.973   14.865   59.339   9.8370   72.437   15.604 -13.09853 18.44623 
1 1 1   -1   21   31 o   46.985   10.326   16.798   6.7335   17.428   7.7153   14.786   13.793   48.098   11.902   45.871   16.877 2.227421 20.65124 
1 1 1   -1   21   32 o   71.297   8.6370   32.563   7.1094   27.794   8.0640   49.203   15.064   62.557   9.5125   80.037   14.419 -17.48043 17.27408 
1 1 1   -1   21   33 o   36.246   10.051   6.9600   6.3645   6.5917   7.2714   8.1662   13.160   32.843   12.221   39.650   15.960 -6.806736 20.10159 
1 1 1   -1   21   34 o   45.473   9.9556   16.615   6.6134   18.810   7.5750   9.5785   13.563   49.972   11.434   40.975   16.301 8.996769 19.91113 
1 1 1   -1   21   35 o   37.990   10.196   7.8552   6.3770   6.1178   7.3149   13.357   13.017   32.224   12.202   43.756   16.338 -11.53236 20.39135 
1 1 1   -1   21   36 o   43.927   10.081   14.267   7.8740   22.854   10.168   1.4052   12.445   54.022   13.830   33.832   14.671 20.19062 20.16223 
1 1 1   -1   21   37 o   65.995   10.045   35.144   8.7100   40.104   11.219   27.619   13.820   74.083   11.175   57.906   16.694 16.17762 20.08927 
1 1 1   -1   21   38 o   62.818   10.054   33.214   8.5457   40.982   10.877   20.685   13.814   75.046   10.695   50.590   17.029 24.45610 20.10895 
1 1 1   -1   21   39 o   50.166   10.896   20.483   8.1181   22.183   10.342   17.756   13.103   52.827   14.159   47.505   16.567 5.322571 21.79286 
1 1 1   -1   21   40 o   49.223   10.509   17.234   7.8980   9.1183   10.072   30.193   12.728   37.549   14.293   60.897   15.410 -23.34814 21.01845 
1 1 1   -1   21   41 o   62.379   9.8142   28.009   8.3198   17.299   10.487   46.197   13.666   46.634   14.786   78.123   12.909 -31.48928 19.62850 
1 1 1   -1   21   42 o   36.610   10.094   7.6413   7.5811   12.459   9.9675   1.0294   11.677   40.886   14.435   32.333   14.114 8.552261 20.18860 
1 1 1   -1   21   43 f   33.713   13.650   5.6485   9.6873   5.6485   9.6873   0.0000   0.0000   33.713   13.650  ?   ?       ?      ? 
1 1 1   -1   21   44 o   40.695   14.407   12.440   9.9352   12.440   9.9352   0.0000   0.0000   40.695   14.407  ?   ?       ?      ? 
1 1 1   -1   21   45 o   36.113   13.782   8.5276   9.3783   8.5276   9.3783   0.0000   0.0000   36.113   13.782  ?   ?       ?      ? 
1 1 1   -1   21   46 o   56.196   13.631   25.389   10.274   25.389   10.274   0.0000   0.0000   56.196   13.631  ?   ?       ?      ? 
1 1 1   -1   21   47 o   53.457   14.010   23.298   10.272   23.298   10.272   0.0000   0.0000   53.457   14.010  ?   ?       ?      ? 
1 1 1   -1   21   48 o   30.782   12.865   3.5747   8.9692   3.5747   8.9692   0.0000   0.0000   30.782   12.865  ?   ?       ?      ? 
1 1 1   -1   21   49 o   53.768   13.567   23.577   9.8849   23.577   9.8849   0.0000   0.0000   53.768   13.567  ?   ?       ?      ? 
1 1 1   -1   21   50 o   47.198   13.955   18.433   9.5491   18.433   9.5491   0.0000   0.0000   47.198   13.955  ?   ?       ?      ? 
1 1 1   -1   21   51 o   48.079   16.743   20.346   13.381   20.346   13.381   0.0000   0.0000   48.079   16.743  ?   ?       ?      ? 
1 1 1   -1   21   52 o   56.486   16.799   29.065   13.807   29.065   13.807   0.0000   0.0000   56.486   16.799  ?   ?       ?      ? 
1 1 1   -1   21   53 o   55.270   16.918   28.322   13.858   28.322   13.858   0.0000   0.0000   55.270   16.918  ?   ?       ?      ? 
1 1 1   -1   21   54 o   26.131   11.607  -0.3176   8.2229  -0.3176   8.2229   0.0000   0.0000   26.131   11.607  ?   ?       ?      ? 
1 1 1   -1   21   55 o   37.285   13.429   11.152   8.6671   11.152   8.6671   0.0000   0.0000   37.285   13.429  ?   ?       ?      ? 
1 1 1   -1   21   56 o   29.769   12.427   4.2953   8.3560   4.2953   8.3560   0.0000   0.0000   29.769   12.427  ?   ?       ?      ? 
1 1 1   -1   21   57 o   31.824   12.981   6.3088   8.8387   6.3088   8.8387   0.0000   0.0000   31.824   12.981  ?   ?       ?      ? 
1 1 1   -1   21   58 o   19.251   9.3726 -10.9313   7.8444 -10.9313   7.8444   0.0000   0.0000   19.251   9.3726  ?   ?       ?      ? 
1 1 1   -1   21   59 o   34.365   13.228   9.4672   8.6870   9.4672   8.6870   0.0000   0.0000   34.365   13.228  ?   ?       ?      ? 
1 1 1   -1   21   60 o   48.603   13.678   21.778   9.3890   21.778   9.3890   0.0000   0.0000   48.603   13.678  ?   ?       ?      ? 
1 1 1   -1   22    1 o   51.618   10.261   18.104   8.0657   32.847   12.551   7.7315   10.527   65.678   14.490   37.558   14.532 28.11964 20.52209 
1 1 1   -1   22    2 o   49.327   11.105   18.295   8.3122   18.036   12.723   18.488   10.979   49.216   16.340   49.438   15.044 -0.2218208 22.21033 
1 1 1   -1   22    3 o   27.575   12.444  -3.8760   9.8660   0.0000   0.0000  -3.8760   9.8660  ?   ?    27.575   12.444      ?      ? 
1 1 1   -1   22    4 o   48.063   14.767   17.373   10.546   0.0000   0.0000   17.373   10.546  ?   ?    48.063   14.767      ?      ? 
1 1 1   -1   22    5 o   39.256   14.691   9.4758   10.537   0.0000   0.0000   9.4758   10.537  ?   ?    39.256   14.691      ?      ? 
1 1 1   -1   22    6 o   29.211   9.1818  -4.7208   7.4835   3.2334   11.256 -11.0214   10.018   34.428   14.402   23.995   11.393 10.43271 18.36354 
1 1 1   -1   22    7 o   25.521   8.1821  -4.3383   6.2072  -0.7079   7.9564  -9.9843   9.9222   26.727   11.659   24.314   11.483 2.412399 16.36421 
1 1 1   -1   22    8 o   36.022   9.5468   7.5551   6.5285   11.075   8.2889   1.8043   10.595   39.545   13.191   32.499   13.804 7.045315 19.09360 
1 1 1   -1   22    9 o   45.521   10.895   14.656   7.4933   14.292   8.8638   15.565   14.028   43.902   13.546   47.140   17.069 -3.237629 21.79043 
1 1 1   -1   22   10 o   44.216   11.285   13.251   8.9552   17.824   11.764   6.9499   13.809   48.637   15.686   39.795   16.228 8.842094 22.57035 
1 1 1   -1   22   11 o   53.930   10.821   22.086   7.8271   21.738   9.3360   22.910   14.359   53.631   12.985   54.230   17.314 -0.5994949 21.64160 
1 1 1   -1   22   12 o   50.623   9.4000   21.916   6.7235   26.283   7.6607   7.2691   14.028   61.086   9.2542   40.161   16.365 20.92552 18.80009 
1 1 1   -1   22   13 o   59.354   9.6132   30.993   6.9536   35.408   7.9048   15.887   14.621   71.178   8.1953   47.531   17.392 23.64722 19.22647 
1 1 1   -1   22   14 o   39.693   10.002   10.986   6.3746   12.695   7.1753   4.5881   13.886   41.351   12.061   38.034   15.959 3.317211 20.00377 
1 1 1   -1   22   15 o   86.884   7.3464   42.764   7.3556   34.275   8.1907   78.146   16.721   69.867   8.6510  103.900   11.876 -34.03283 14.69276 
1 1 1   -1   22   16 f   64.498   8.9907   29.312   7.8582   29.312   7.8582   0.0000   0.0000   64.498   8.9907  ?   ?       ?      ? 
1 1 1   -1   22   17 o   87.613   7.4878   53.478   8.8901   53.478   8.8901   0.0000   0.0000   87.613   7.4878  ?   ?       ?      ? 
1 1 1   -1   22   18 o   70.048   8.4158   34.457   7.9886   34.457   7.9886   0.0000   0.0000   70.048   8.4158  ?   ?       ?      ? 
1 1 1   -1   22   19 o   63.600   9.8231   33.088   7.1543   35.232   8.1236   25.677   15.103   70.789   8.4683   56.410   17.727 14.37897 19.64621 
1 1 1   -1   22   20 o   77.310   9.5051   51.047   7.6867   56.199   8.7921   34.336   15.835   89.825   7.2229   64.795   17.585 25.02991 19.01021 
1 1 1   -1   22   21 o   50.795   10.363   15.539   6.6321   11.049   7.4953   31.734   14.235   38.849   12.520   62.742   16.517 -23.89335 20.72552 
1 1 1   -1   22   22 o   48.398   9.2074   20.150   6.7434   25.316   7.7704   4.3907   13.572   59.599   9.6211   37.197   15.702 22.40204 18.41473 
1 1 1   -1   22   23 o   45.892   10.286   16.166   6.6827   16.886   7.6583   13.867   13.682   47.149   11.966   44.635   16.734 2.513958 20.57174 
1 1 1   -1   22   24 o   54.863   9.2563   28.359   7.0972   35.076   8.0948   6.0335   14.757   70.482   8.4751   39.243   16.459 31.23906 18.51252 
1 1 1   -1   22   25 f   62.623   9.5681   28.081   6.9782   26.279   7.9602   34.060   14.503   60.595   9.6941   64.651   16.499 -4.056389 19.13614 
1 1 1   -1   22   26 o   39.582   10.133   10.760   6.3812   11.150   7.2889   9.4776   13.204   38.748   12.332   40.416   16.082 -1.667946 20.26610 
1 1 1   -1   22   27 o   50.622   9.8255   21.797   6.7746   24.577   7.7702   12.986   13.833   57.618   10.331   43.625   16.716 13.99311 19.65099 
1 1 1   -1   22   28 o   32.493   9.6250   2.4642   6.2201   0.6455   7.1456   8.1522   12.637   26.191   11.235   38.794   15.631 -12.60288 19.25006 
1 1 1   -1   22   29 o   53.058   10.274   19.676   6.7379   16.726   7.7016   29.302   13.911   46.646   12.086   59.471   16.619 -12.82508 20.54871 
1 1 1   -1   22   30 o   66.783   10.143   34.919   8.6576   34.990   10.672   34.783   14.807   68.918   11.427   64.648   16.762 4.269073 20.28625 
1 1 1   -1   22   31 o   46.502   10.507   17.521   8.2179   24.136   10.333   6.1344   13.557   55.188   13.841   37.816   15.812 17.37198 21.01366 
1 1 1   -1   22   32 o   76.543   10.013   53.405   9.4104   70.789   11.886   24.207   15.404   99.555   8.8103   53.530   17.983 46.02584 20.02509 
1 1 1   -1   22   33 o   30.827   9.5638   0.4176   7.5367   2.1843   9.4383  -2.6912   12.520   30.563   13.006   31.090   14.025 -0.5278835 19.12761 
1 1 1   -1   22   34 o   47.389   10.828   16.116   7.9857   9.7338   10.064   26.969   13.123   37.998   14.330   56.781   16.238 -18.78295 21.65675 
1 1 1   -1   22   35 o   45.971   10.480   17.174   7.9543   22.842   10.238   8.5394   12.635   53.326   13.992   38.617   15.605 14.70993 20.95915 
1 1 1   -1   22   36 o   84.926   9.0692   57.523   9.4569   63.748   11.972   47.192   15.422   93.893   9.4089   75.959   15.507 17.93420 18.13846 
1 1 1   -1   22   37 o   46.821   10.851   17.219   7.7406   15.083   9.7530   20.855   12.724   43.666   14.297   49.975   16.328 -6.309319 21.70252 
1 1 1   -1   22   38 o   48.587   13.884   19.061   9.5979   19.061   9.5979   0.0000   0.0000   48.587   13.884  ?   ?       ?      ? 
1 1 1   -1   22   39 o   47.929   13.985   18.629   9.6456   18.629   9.6456   0.0000   0.0000   47.929   13.985  ?   ?       ?      ? 
1 1 1   -1   22   40 o   24.421   11.329  -5.4954   8.9625  -5.4954   8.9625   0.0000   0.0000   24.421   11.329  ?   ?       ?      ? 
1 1 1   -1   22   41 o   30.583   13.947  -3.3406   12.797  -3.3406   12.797   0.0000   0.0000   30.583   13.947  ?   ?       ?      ? 
1 1 1   -1   22   42 o   28.498   13.318  -7.3619   12.752  -7.3619   12.752   0.0000   0.0000   28.498   13.318  ?   ?       ?      ? 
1 1 1   -1   22   43 o   41.190   16.254   12.337   13.384   12.337   13.384   0.0000   0.0000   41.190   16.254  ?   ?       ?      ? 
1 1 1   -1   22   44 o   45.762   16.968   17.779   13.992   17.779   13.992   0.0000   0.0000   45.762   16.968  ?   ?       ?      ? 
1 1 1   -1   22   45 o   78.695   15.389   52.661   15.823   52.661   15.823   0.0000   0.0000   78.695   15.389  ?   ?       ?      ? 
1 1 1   -1   22   46 o   66.602   11.023   33.870   9.9485   33.870   9.9485   0.0000   0.0000   66.602   11.023  ?   ?       ?      ? 
1 1 1   -1   22   47 o   30.808   12.632   4.8822   8.4243   4.8822   8.4243   0.0000   0.0000   30.808   12.632  ?   ?       ?      ? 
1 1 1   -1   22   48 o   25.942   11.495  -0.1734   8.0194  -0.1734   8.0194   0.0000   0.0000   25.942   11.495  ?   ?       ?      ? 
1 1 1   -1   22   49 o   42.257   13.511   15.191   8.7421   15.191   8.7421   0.0000   0.0000   42.257   13.511  ?   ?       ?      ? 
1 1 1   -1   22   50 o   36.230   13.222   10.471   8.4419   10.471   8.4419   0.0000   0.0000   36.230   13.222  ?   ?       ?      ? 
1 1 1   -1   22   51 o   25.332   11.370  -0.7157   8.1104  -0.7157   8.1104   0.0000   0.0000   25.332   11.370  ?   ?       ?      ? 
1 1 1   -1   22   52 o   44.104   13.745   17.385   9.1010   17.385   9.1010   0.0000   0.0000   44.104   13.745  ?   ?       ?      ? 
1 1 1   -1   22   53 o   20.555   9.8586  -8.0622   7.9100  -8.0622   7.9100   0.0000   0.0000   20.555   9.8586  ?   ?       ?      ? 
1 1 1   -1   22   54 o   34.496   13.221   9.7534   8.6545   9.7534   8.6545   0.0000   0.0000   34.496   13.221  ?   ?       ?      ? 
1 1 1   -1   22   55 o   35.507   14.772   10.336   11.749   10.336   11.749   0.0000   0.0000   35.507   14.772  ?   ?       ?      ? 
1 1 1   -1   23    1 o   46.365   8.8362   17.540   6.5939   26.289   8.3950   3.4478   10.654   59.446   10.820   33.284   13.973 26.16235 17.67248 
1 1 1   -1   23    2 o   44.801   9.7399   13.529   6.6209   7.5149   8.3321   23.833   10.906   34.727   13.051   54.876   14.462 -20.14931 19.47988 
1 1 1   -1   23    3 o   33.238   10.335  -0.9629   8.6990  -4.3876   10.909   5.0162   14.415   28.352   12.909   38.124   16.142 -9.771219 20.66935 
1 1 1   -1   23    4 o   39.320   16.647   5.6767   15.329   0.0000   0.0000   5.6767   15.329  ?   ?    39.320   16.647      ?      ? 
1 1 1   -1   23    5 o   48.356   9.8874   17.770   6.6663   16.029   8.3801   20.771   11.001   45.590   12.955   51.121   14.940 -5.531582 19.77470 
1 1 1   -1   23    6 o   56.049   9.0745   22.590   6.7261   15.493   8.5081   34.417   10.983   44.830   13.150   67.268   12.509 -22.43808 18.14910 
1 1 1   -1   23    7 o   59.929   18.252   30.396   16.156   0.0000   0.0000   30.396   16.156  ?   ?    59.929   18.252      ?      ? 
1 1 1   -1   23    8 o   48.567   11.149   16.452   7.2756   14.406   8.2147   23.893   15.670   43.343   12.973   53.791   18.137 -10.44811 22.29900 
1 1 1   -1   23    9 o   79.835   9.6958   50.252   8.4712   51.643   9.7162   45.842   17.297   85.422   8.3935   74.247   17.481 11.17505 19.39153 
1 1 1   -1   23   10 o   56.802   11.269   22.073   7.6319   18.758   8.5191   35.550   17.176   49.245   12.687   64.359   18.628 -15.11388 22.53798 
1 1 1   -1   23   11 o   74.306   9.2172   43.486   7.2417   44.693   8.1839   39.129   15.545   79.763   7.5714   68.850   16.808 10.91302 18.43440 
1 1 1   -1   23   12 o   39.032   10.014   10.539   6.1365   11.115   6.8923   8.3390   13.478   38.519   11.955   39.544   16.069 -1.024426 20.02788 
1 1 1   -1   23   13 o   39.957   9.8252   12.024   6.2197   13.831   6.9809   5.0653   13.697   42.577   11.726   37.338   15.768 5.238613 19.65045 
1 1 1   -1   23   14 o   34.073   9.6294   6.3702   6.1013   7.8478   6.8229   0.4724   13.631   33.823   11.943   34.323   15.109 -0.4997711 19.25889 
1 1 1   -1   23   15 o   45.491   10.146   16.719   6.5750   18.252   7.3653   10.706   14.590   48.990   11.322   41.993   16.839 6.997257 20.29140 
1 1 1   -1   23   16 f   39.068   9.7563   11.378   6.2211   13.399   6.9959   3.7407   13.600   41.865   11.816   36.272   15.528 5.593441 19.51256 
1 1 1   -1   23   17 o   35.689   9.7138   8.0660   6.1954   9.7045   6.9862   2.0329   13.406   36.422   12.109   34.955   15.193 1.467140 19.42761 
1 1 1   -1   23   18 o   30.954   9.4027   1.6879   5.8938   0.7791   6.6250   5.1368   12.906   25.391   10.853   36.518   15.358 -11.12654 18.80545 
1 1 1   -1   23   19 o   37.543   8.8187   10.683   6.2275   16.370   7.0826  -8.6940   13.074   46.258   11.377   28.829   13.477 17.42968 17.63735 
1 1 1   -1   23   20 o   39.060   10.079   9.8649   6.0160   8.9613   6.7921   13.155   12.960   35.229   11.940   42.891   16.241 -7.662441 20.15784 
1 1 1   -1   23   21 f   39.646   10.225   9.9755   6.1012   8.7440   6.8558   14.665   13.377   34.934   11.995   44.359   16.563 -9.424358 20.44969 
1 1 1   -1   23   22 o   51.163   9.9515   21.470   6.4902   22.391   7.3310   18.131   13.957   54.717   10.264   47.609   17.052 7.107666 19.90298 
1 1 1   -1   23   23 o   61.247   9.3540   27.132   6.5650   25.383   7.4324   33.341   14.003   59.371   9.2379   63.122   16.268 -3.751492 18.70796 
1 1 1   -1   23   24 o   28.393   8.9416  -1.5954   7.0325   2.6385   8.5486 -10.4593   12.369   29.746   12.504   27.040   12.785 2.706064 17.88320 
1 1 1   -1   23   25 o   53.696   10.703   22.785   7.7299   20.876   9.3691   26.856   13.679   51.207   13.361   56.185   16.724 -4.978199 21.40567 
1 1 1   -1   23   26 o   35.528   10.070   7.1834   7.1913   8.9852   8.5939   2.9747   13.134   36.124   13.317   34.932   15.110 1.191322 20.14086 
1 1 1   -1   23   27 o   37.206   9.3767   8.8593   7.1749   16.834   8.7101  -7.9762   12.655   46.011   13.250   28.400   13.271 17.61066 18.75337 
1 1 1   -1   23   28 o   39.706   10.496   8.9168   7.3278   4.2353   8.8587   19.062   13.041   31.419   12.926   47.993   16.539 -16.57357 20.99105 
1 1 1   -1   23   29 o   36.542   10.222   6.3271   7.1541   2.5438   8.6578   14.471   12.703   29.654   12.530   43.429   16.155 -13.77511 20.44460 
1 1 1   -1   23   30 o   34.305   10.075   5.4178   7.3544   5.5807   8.9270   5.0739   12.974   32.664   13.146   35.945   15.272 -3.281300 20.15056 
1 1 1   -1   23   31 o   34.416   10.069   5.7297   7.3661   6.1335   9.0027   4.9119   12.812   33.211   13.259   35.620   15.156 -2.408737 20.13729 
1 1 1   -1   23   32 o   38.839   13.700   11.440   8.9756   11.440   8.9756   0.0000   0.0000   38.839   13.700  ?   ?       ?      ? 
1 1 1   -1   23   33 o   41.375   13.858   13.591   9.1475   13.591   9.1475   0.0000   0.0000   41.375   13.858  ?   ?       ?      ? 
1 1 1   -1   23   34 o   39.708   13.676   12.322   8.9160   12.322   8.9160   0.0000   0.0000   39.708   13.676  ?   ?       ?      ? 
1 1 1   -1   23   35 f   38.012   13.515   11.017   8.7513   11.017   8.7513   0.0000   0.0000   38.012   13.515  ?   ?       ?      ? 
1 1 1   -1   23   36 o   52.462   13.234   22.542   9.4073   22.542   9.4073   0.0000   0.0000   52.462   13.234  ?   ?       ?      ? 
1 1 1   -1   23   37 o   30.215   12.573   3.8997   8.5136   3.8997   8.5136   0.0000   0.0000   30.215   12.573  ?   ?       ?      ? 
1 1 1   -1   23   38 o   20.356   9.7900  -9.6082   7.9236  -9.6082   7.9236   0.0000   0.0000   20.356   9.7900  ?   ?       ?      ? 
1 1 1   -1   23   39 o   20.377   9.8149  -9.8825   8.0343  -9.8825   8.0343   0.0000   0.0000   20.377   9.8149  ?   ?       ?      ? 
1 1 1   -1   23   40 o   29.369   12.335   3.5133   8.3082   3.5133   8.3082   0.0000   0.0000   29.369   12.335  ?   ?       ?      ? 
1 1 1   -1   23   41 o   24.594   11.118  -1.7866   7.9150  -1.7866   7.9150   0.0000   0.0000   24.594   11.118  ?   ?       ?      ? 
1 1 1   -1   23   42 o   27.990   11.954   2.5403   8.0246   2.5403   8.0246   0.0000   0.0000   27.990   11.954  ?   ?       ?      ? 
1 1 1   -1   23   43 o   25.468   11.323  -0.1793   7.8421  -0.1793   7.8421   0.0000   0.0000   25.468   11.323  ?   ?       ?      ? 
1 1 1   -1   23   44 o   24.477   11.208  -2.5510   8.3726  -2.5510   8.3726   0.0000   0.0000   24.477   11.208  ?   ?       ?      ? 
1 1 1   -1   23   45 o   26.497   11.745   0.5856   8.3765   0.5856   8.3765   0.0000   0.0000   26.497   11.745  ?   ?       ?      ? 
1 1 1   -1   23   46 o   35.687   14.719   9.5570   11.522   9.5570   11.522   0.0000   0.0000   35.687   14.719  ?   ?       ?      ? 
1 1 1   -1   23   47 o   37.201   14.871   11.828   11.339   11.828   11.339   0.0000   0.0000   37.201   14.871  ?   ?       ?      ? 
1 1 1   -1   23   48 o   34.496   14.330   9.0592   11.033   9.0592   11.033   0.0000   0.0000   34.496   14.330  ?   ?       ?      ? 
1 1 1   -1   24    1 o   24.983   7.7472  -4.7526   5.8949   4.8240   7.5497 -19.7097   9.4351   30.589   12.164   19.376   9.5972 11.21283 15.49444 
1 1 1   -1   24    2 o   29.993   8.6087   1.9043   6.1779   9.1240   8.0778  -8.2692   9.5889   35.950   12.962   24.037   11.332 11.91326 17.21730 
1 1 1   -1   24    3 o   26.256   8.2726  -1.5825   5.9993   1.2639   7.6026  -6.2803   9.7669   27.194   11.625   25.318   11.773 1.875359 16.54530 
1 1 1   -1   24    4 o   32.674   9.3119   3.5621   6.3281  -0.7227   7.9518   10.963   10.450   26.080   11.507   39.268   14.643 -13.18775 18.62372 
1 1 1   -1   24    5 o   35.276   9.6060   7.4591   6.3732   5.5570   8.1786   10.400   10.169   32.015   12.683   38.537   14.430 -6.521282 19.21195 
1 1 1   -1   24    6 o   33.640   9.4031   5.3870   6.2597   2.2224   7.9238   10.641   10.210   28.483   12.009   38.797   14.473 -10.31470 18.80619 
1 1 1   -1   24    7 o   42.296   9.8859   14.060   6.5467   14.810   8.3839   12.888   10.480   43.332   13.137   41.261   14.776 2.071285 19.77180 
1 1 1   -1   24    8 o   46.559   7.9826   16.546   6.7155   31.545   8.8382  -3.9418   10.330   65.726   9.9231   27.392   12.507 38.33350 15.96522 
1 1 1   -1   24    9 o   34.594   9.0771   6.6928   6.8719   14.100   7.9835 -14.4894   13.501   42.386   12.813   26.802   12.861 15.58408 18.15422 
1 1 1   -1   24   10 o   33.910   9.9311   5.5645   6.8672   6.9873   7.8285   0.8155   14.303   33.202   12.610   34.618   15.345 -1.415909 19.86215 
1 1 1   -1   24   11 o   29.338   12.207   3.0625   8.0235   3.0625   8.0235   0.0000   0.0000   29.338   12.207  ?   ?       ?      ? 
1 1 1   -1   24   12 o   36.211   9.9751   8.3611   6.0251   9.0499   6.5956   4.8882   14.809   35.026   11.767   37.396   16.111 -2.369934 19.95018 
1 1 1   -1   24   13 o   38.444   10.162   10.662   6.9883   12.610   8.1797   5.3976   13.447   40.289   13.088   36.598   15.548 3.690773 20.32361 
1 1 1   -1   24   14 f   35.876   10.118   7.7033   6.8517   8.4095   7.9134   5.5883   13.695   34.860   12.789   36.893   15.683 -2.033386 20.23648 
1 1 1   -1   24   15 o   41.945   10.616   12.505   6.9717   10.803   8.1391   17.192   13.510   37.895   13.066   45.996   16.736 -8.100662 21.23202 
1 1 1   -1   24   16 o   27.663   8.9655  -5.9221   7.9549   1.0439   10.432 -15.6006   12.296   30.557   13.339   24.770   11.983 5.786446 17.93110 
1 1 1   -1   24   17 o   51.876   11.071   23.072   9.0693   31.473   12.281   12.997   13.450   61.588   14.881   42.163   16.395 19.42449 22.14155 
1 1 1   -1   24   18 o   49.238   10.983   18.738   8.8401   8.4890   11.809   31.802   13.333   37.467   15.105   61.009   15.948 -23.54205 21.96614 
1 1 1   -1   24   19 o   35.622   10.423   6.2397   8.2763   8.9804   11.631   3.4290   11.779   37.705   15.065   33.539   14.407 4.166771 20.84535 
1 1 1   -1   24   20 o   38.064   10.619   8.7289   8.3395   3.0571   11.644   14.702   11.949   33.102   14.273   43.026   15.727 -9.923965 21.23780 
1 1 1   -1   24   21 o   27.807   9.0640  -4.8729   7.9404  -3.3315   10.937  -6.5912   11.547   28.267   12.892   27.347   12.745 0.9194355 18.12796 
1 1 1   -1   24   22 o   41.955   10.087   9.0759   8.5120  -7.2664   11.651   27.787   12.466   27.118   12.692   56.792   15.682 -29.67379 20.17422 
1 1 1   -1   24   23 o   61.766   11.218   32.929   9.4473   30.355   13.081   35.736   13.659   59.076   15.961   64.456   15.768 -5.379204 22.43625 
1 1 1   -1   24   24 o   30.709   9.5390   0.4184   7.7384  -3.5317   10.679   4.7861   11.229   27.697   12.673   33.721   14.261 -6.023766 19.07805 
1 1 1   -1   24   25 o   27.691   8.6948  -6.7743   7.5201   7.1501   10.246 -23.0335   11.072   34.759   14.050   20.624   10.246 14.13510 17.38957 
1 1 1   -1   24   26 o   39.386   15.200   11.589   11.494   11.589   11.494   0.0000   0.0000   39.386   15.200  ?   ?       ?      ? 
1 1 1   -1   24   27 o   30.370   13.344   1.2755   10.590   1.2755   10.590   0.0000   0.0000   30.370   13.344  ?   ?       ?      ? 
1 1 1   -1   24   28 o   21.707   10.577 -14.4876   10.047 -14.4876   10.047   0.0000   0.0000   21.707   10.577  ?   ?       ?      ? 
1 1 1   -1   24   29 o   37.198   15.055   9.3263   11.779   9.3263   11.779   0.0000   0.0000   37.198   15.055  ?   ?       ?      ? 
1 1 1   -1   24   30 o   31.544   13.823   2.3444   11.299   2.3444   11.299   0.0000   0.0000   31.544   13.823  ?   ?       ?      ? 
1 1 1   -1   24   31 o   32.057   14.060   2.7147   11.712   2.7147   11.712   0.0000   0.0000   32.057   14.060  ?   ?       ?      ? 
1 1 1   -1   24   32 o   34.890   14.599   7.0952   11.570   7.0952   11.570   0.0000   0.0000   34.890   14.599  ?   ?       ?      ? 
1 1 1   -1   24   33 o   26.067   12.155  -5.1233   10.526  -5.1233   10.526   0.0000   0.0000   26.067   12.155  ?   ?       ?      ? 
1 1 1   -1   24   34 o   36.590   14.888   9.6522   11.589   9.6522   11.589   0.0000   0.0000   36.590   14.888  ?   ?       ?      ? 
1 1 1   -1   24   35 o   40.823   15.530   14.658   11.886   14.658   11.886   0.0000   0.0000   40.823   15.530  ?   ?       ?      ? 
1 1 1   -1   24   36 o   33.811   14.287   6.8146   11.254   6.8146   11.254   0.0000   0.0000   33.811   14.287  ?   ?       ?      ? 
1 1 1   -1   24   37 o   37.723   13.534   12.154   8.7959   12.154   8.7959   0.0000   0.0000   37.723   13.534  ?   ?       ?      ? 
1 1 1   -1   24   38 o   25.278   11.385  -0.6168   8.2111  -0.6168   8.2111   0.0000   0.0000   25.278   11.385  ?   ?       ?      ? 
1 1 1   -1   24   39 o   19.592   9.4902  -9.6105   7.7770  -9.6105   7.7770   0.0000   0.0000   19.592   9.4902  ?   ?       ?      ? 
1 1 1   -1   24   40 o   38.952   13.697   13.794   8.9658   13.794   8.9658   0.0000   0.0000   38.952   13.697  ?   ?       ?      ? 
1 1 1   -1   24   41 f   44.568   13.676   18.576   9.0497   18.576   9.0497   0.0000   0.0000   44.568   13.676  ?   ?       ?      ? 
1 1 1   -1   25    1 o   39.040   9.5294   12.140   6.4683   16.198   8.4362   6.3518   10.076   44.327   13.120   33.753   13.824 10.57415 19.05883 
1 1 1   -1   25    2 o   39.474   9.8911   11.211   6.5198   7.4154   8.1733   17.852   10.811   33.323   12.830   45.626   15.058 -12.30264 19.78220 
1 1 1   -1   25    3 o   25.216   8.0554  -2.7376   6.0611   1.5175   7.7980  -9.2318   9.6336   27.194   11.703   23.238   11.073 3.955437 16.11087 
1 1 1   -1   25    4 o   28.683   8.8445   1.3854   6.3112   1.5990   7.9780   1.0281   10.317   27.493   11.834   29.872   13.147 -2.379341 17.68893 
1 1 1   -1   25    5 f   36.427   9.4256   6.9058   6.5352  -0.5332   8.3634   18.570   10.473   26.340   11.702   46.514   14.779 -20.17418 18.85118 
1 1 1   -1   25    6 o   46.480   9.1032   15.271   6.7394   4.2668   8.7113   31.675   10.636   30.642   12.732   62.318   13.015 -31.67625 18.20643 
1 1 1   -1   25    7 o   59.654   10.351   30.842   8.2815   27.883   12.832   32.953   10.842   55.744   16.091   63.565   13.024 -7.821121 20.70134 
1 1 1   -1   25    8 o   47.604   9.8922   11.231   8.9823  -9.1293   11.601   41.711   14.194   25.915   12.291   69.293   15.503 -43.37820 19.78446 
1 1 1   -1   25    9 o   30.865   9.4103   3.0635   7.0007   5.4576   8.3304  -2.6920   12.916   31.333   12.668   30.398   13.919 0.9344482 18.82068 
1 1 1   -1   25   10 o   36.285   10.181   7.2514   6.9877   3.7312   8.3536   15.454   12.752   29.710   12.416   42.860   16.138 -13.15073 20.36132 
1 1 1   -1   25   11 o   42.243   10.393   15.253   7.2657   16.942   8.7034   11.369   13.197   45.002   13.327   39.484   15.951 5.518009 20.78592 
1 1 1   -1   25   12 o   25.420   8.2185  -3.8287   6.5743   1.5998   7.8931 -16.1265   11.880   27.263   11.753   23.577   11.491 3.685684 16.43702 
1 1 1   -1   25   13 o   40.026   10.479   10.623   7.0646   6.4075   8.3841   20.944   13.119   32.208   12.816   47.844   16.583 -15.63567 20.95770 
1 1 1   -1   25   14 o   37.315   10.417   8.3741   7.2445   4.8745   8.6367   16.681   13.306   30.910   12.746   43.720   16.480 -12.80951 20.83379 
1 1 1   -1   25   15 o   44.986   9.9453   18.504   7.3183   23.164   8.8407   8.3597   13.044   53.078   12.498   36.895   15.474 16.18314 19.89063 
1 1 1   -1   25   16 o   30.033   9.2498   2.4937   6.7843   3.1946   8.2753   1.0571   11.848   28.958   12.244   31.108   13.868 -2.149879 18.49969 
1 1 1   -1   25   17 o   38.992   10.377   11.629   7.0643   9.9615   8.5593   15.191   12.511   35.940   13.282   42.045   15.948 -6.104645 20.75485 
1 1 1   -1   25   18 o   34.040   13.056   8.3531   8.4439   8.3531   8.4439   0.0000   0.0000   34.040   13.056  ?   ?       ?      ? 
1 1 1   -1   25   19 o   20.905   10.012  -8.5803   8.0907  -8.5803   8.0907   0.0000   0.0000   20.905   10.012  ?   ?       ?      ? 
1 1 1   -1   25   20 o   28.056   12.092   2.2554   8.3493   2.2554   8.3493   0.0000   0.0000   28.056   12.092  ?   ?       ?      ? 
1 1 1   -1   25   21 f   39.230   13.523   12.991   8.7180   12.991   8.7180   0.0000   0.0000   39.230   13.523  ?   ?       ?      ? 
1 1 1   -1   25   22 o   26.145   11.647  -0.0744   8.3399  -0.0744   8.3399   0.0000   0.0000   26.145   11.647  ?   ?       ?      ? 
1 1 1   -1   25   23 o   21.546   10.207  -6.5691   7.9533  -6.5691   7.9533   0.0000   0.0000   21.546   10.207  ?   ?       ?      ? 
1 1 1   -1   25   24 o   34.107   13.276   8.7042   8.8257   8.7042   8.8257   0.0000   0.0000   34.107   13.276  ?   ?       ?      ? 
1 1 1   -1   25   25 o   32.895   12.972   7.7755   8.5184   7.7755   8.5184   0.0000   0.0000   32.895   12.972  ?   ?       ?      ? 
1 1 1   -1   25   26 o   25.412   11.410  -0.4510   8.1765  -0.4510   8.1765   0.0000   0.0000   25.412   11.410  ?   ?       ?      ? 
1 1 1   -1   25   27 o   22.181   10.451  -5.5209   8.1338  -5.5209   8.1338   0.0000   0.0000   22.181   10.451  ?   ?       ?      ? 
1 1 1   -1   25   28 o   34.412   13.186   9.5377   8.6064   9.5377   8.6064   0.0000   0.0000   34.412   13.186  ?   ?       ?      ? 
1 1 1   -1   25   29 o   29.795   12.487   5.0296   8.4843   5.0296   8.4843   0.0000   0.0000   29.795   12.487  ?   ?       ?      ? 
1 1 1   -1   25   30 o   22.607   10.633  -4.9325   8.3509  -4.9325   8.3509   0.0000   0.0000   22.607   10.633  ?   ?       ?      ? 
1 1 1   -1   25   31 o   32.363   13.003   7.9385   8.7171   7.9385   8.7171   0.0000   0.0000   32.363   13.003  ?   ?       ?      ? 
1 1 1   -1   26    1 o   26.735   12.052  -0.1567   9.2277   0.0000   0.0000  -0.1567   9.2277  ?   ?    26.735   12.052      ?      ? 
1 1 1   -1   26    2 o   33.283   13.404   8.1074   9.2887   0.0000   0.0000   8.1074   9.2887  ?   ?    33.283   13.404      ?      ? 
1 1 1   -1   26    3 o   30.238   12.829   4.7739   9.1338   0.0000   0.0000   4.7739   9.1338  ?   ?    30.238   12.829      ?      ? 
1 1 1   -1   26    4 o   28.927   12.544   3.1748   9.0973   0.0000   0.0000   3.1748   9.0973  ?   ?    28.927   12.544      ?      ? 
1 1 1   -1   26    5 o   33.210   13.481   7.9840   9.4756   0.0000   0.0000   7.9840   9.4756  ?   ?    33.210   13.481      ?      ? 
1 1 1   -1   26    6 f   34.681   13.647   9.5980   9.4095   0.0000   0.0000   9.5980   9.4095  ?   ?    34.681   13.647      ?      ? 
1 1 1   -1   26    7 o   31.667   14.167   3.2921   12.484   0.0000   0.0000   3.2921   12.484  ?   ?    31.667   14.167      ?      ? 
1 1 1   -1   26    8 o   30.716   9.7128   2.6855   8.2925   3.4701   11.464   1.8246   12.009   30.997   13.739   30.436   13.733 0.5607300 19.42560 
1 1 1   -1   26    9 o   32.330   9.8981   4.2546   8.2929   11.789   11.910  -2.8360   11.554   37.120   15.097   27.539   12.805 9.581493 19.79614 
1 1 1   -1   26   10 o   30.933   13.706   3.5950   11.398   3.5950   11.398   0.0000   0.0000   30.933   13.706  ?   ?       ?      ? 
1 1 1   -1   26   11 o   32.009   14.058   5.0074   11.742   5.0074   11.742   0.0000   0.0000   32.009   14.058  ?   ?       ?      ? 
1 1 1   -1   26   12 o   21.421   10.501 -14.2636   10.352 -14.2636   10.352   0.0000   0.0000   21.421   10.501  ?   ?       ?      ? 
1 1 1   -1   26   13 o   37.120   15.032   12.222   11.750   12.222   11.750   0.0000   0.0000   37.120   15.032  ?   ?       ?      ? 
1 1 1   -1   26   14 o   40.265   15.813   16.138   12.610   16.138   12.610   0.0000   0.0000   40.265   15.813  ?   ?       ?      ? 
1 1 1    0    0    1 o   0.9374   0.5952  -0.0690   0.0118   0.0017   0.0165  -0.1431   0.0168   0.9374   0.5952   0.9374   0.5952 -0.000000 0.000000 
1 1 1    0    0    2 o   3.5220   1.5517   0.0123   0.1526  -0.0869   0.2006   0.1483   0.2350   2.7784   1.8688   4.2656   2.4776 -0.000000 0.000000 
1 1 1    0    0    3 o   6.2075   3.7197   0.2641   0.5596   0.2641   0.5596   0.0000   0.0000   6.2075   3.7197   6.2075   3.7197 -0.000000 0.000000 
1 1 1    0    0    4 o   3.5565   2.3580  -0.0821   0.3000  -0.0821   0.3000   0.0000   0.0000   3.5565   2.3580   3.5565   2.3580 -0.000000 0.000000 
1 1 1    0    0    8 o  1578.45   24.607 16944.34  525.586 17348.68  755.376 16564.88  731.768  1596.69   34.949  1560.21   34.649 -0.000000 0.000000 
1 1 1    0    0    9 o  130.578   4.8752  116.504   8.5714  117.864   12.147  115.155   12.097  131.348   6.8670  129.808   6.9219 -0.000000 0.000000 
1 1 1    0    0   10 o  576.089   9.8323  2253.32   76.651  2284.52  109.290  2223.11  107.534  580.019   13.923  572.160   13.887 -0.000000 0.000000 
1 1 1    0    0   11 f  157.338   5.0631  168.800   10.743  166.079   15.175  171.535   15.212  156.052   7.2109  158.625   7.1093 -0.000000 0.000000 
1 1 1    0    0   12 o   72.349   5.0179   36.495   4.8093   35.871   6.8426   37.103   6.7609   71.688   7.2109   73.011   6.9800 -0.000000 0.000000 
1 1 1    0    0   13 o   86.142   4.9899   51.340   5.7261   48.495   8.1088   54.169   8.0871   83.657   7.2795   88.627   6.8267 -0.000000 0.000000 
1 1 1    0    0   15 o   69.580   7.3719   33.900   6.7725   0.0000   0.0000   33.900   6.7725   69.580   7.3719   69.580   7.3719 -0.000000 0.000000 
1 1 1    0    0   16 o  1055.65   16.773  7574.45  239.640  7460.55  335.534  7693.05  342.372  1047.54   23.664  1063.75   23.778 -0.000000 0.000000 
1 1 1    0    0   17 o   51.881   6.5322   20.005   4.1114   17.873   5.8826   22.041   5.7484   48.473   10.168   55.289   8.2034 -0.000000 0.000000 
1 1 1    0    0   18 o  1983.10   30.898 26887.77  829.413 27090.89  1179.20 26688.88  1166.83  1990.49   43.764  1975.70   43.630 -0.000000 0.000000 
1 1 1    0    0   19 o  110.510   5.1925   83.921   7.6895   80.190   10.905   87.612   10.844  107.993   7.5358  113.026   7.1457 -0.000000 0.000000 
1 1 1    0    0   20 o  418.467   7.8189  1189.71   44.268  1178.27   62.393  1201.30   62.819  416.436   11.074  420.498   11.041 -0.000000 0.000000 
1 1 1    0    0   21 o   35.459   12.670   11.257   5.5581   11.257   5.5581   0.0000   0.0000   35.459   12.670   35.459   12.670 -0.000000 0.000000 
1 1 1    0    0   22 o  316.329   6.6688  677.839   28.477  628.813   39.033  733.628   41.638  304.104   9.4926  328.554   9.3693 -0.000000 0.000000 
1 1 1    0    0   23 o   96.944   5.4632   64.906   7.0717   65.347   10.071   64.476   9.9324   97.269   7.7537   96.619   7.6983 -0.000000 0.000000 
1 1 1    0    0   24 o  410.634   7.7563  1146.03   43.092  1142.22   60.898  1149.84   60.983  409.950   10.980  411.319   10.958 -0.000000 0.000000 
1 1 1    0    0   25 o   30.500   9.5799   9.0781   4.1813   9.4714   6.0828   8.7257   5.7571   31.167   13.731   29.833   13.362 -0.000000 0.000000 
1 1 1    0    0   26 o  820.672   13.382  4583.24  148.640  4604.47  210.937  4562.31  209.486  822.558   18.946  818.785   18.903 -0.000000 0.000000 
1 1 1    0    0   27 o  196.618   5.6937  263.393   15.104  251.853   21.256  275.163   21.466  192.226   8.1936  201.009   7.9082 -0.000000 0.000000 
1 1 1    0    0   28 o  956.866   15.376  6231.18  199.115  6334.31  284.673  6132.40  278.608  964.615   21.803  949.117   21.687 -0.000000 0.000000 
1 1 1    0    0   29 o  213.916   5.8375  311.523   16.857  298.986   23.680  324.405   24.002  209.519   8.3705  218.313   8.1388 -0.000000 0.000000 
1 1 1    0    0   30 o  955.263   15.350  6205.17  198.428  6339.51  284.664  6078.19  276.743  965.317   21.786  945.209   21.631 -0.000000 0.000000 
1 1 1    0    0   31 o   25.131   9.5824   4.8534   4.8985   9.8067   7.2942   0.7844   6.6111   31.392   14.975   18.870   11.960 -0.000000 0.000000 
1 1 1    0    0   32 o  1056.70   23.819  7596.58  340.692   0.0000   0.0000  7596.58  340.692  1056.70   23.819  1056.70   23.819 -0.000000 0.000000 
1 1 1    0    0   33 f  140.285   8.1744  134.736   15.419   0.0000   0.0000  134.736   15.419  140.285   8.1744  140.285   8.1744 -0.000000 0.000000 
1 1 1    0    0   34 o  1494.06   23.426 15216.02  473.754 15333.04  673.509 15101.41  666.526  1499.74   33.176  1488.38   33.083 -0.000000 0.000000 
1 1 1    0    0   35 o  428.173   8.0852  1245.33   46.833  1261.49   66.771  1229.68   65.707  430.911   11.453  425.435   11.416 -0.000000 0.000000 
1 1 1    0    0   36 o  995.173   15.952  6735.20  214.882  6745.18  304.349  6725.28  303.432  995.906   22.577  994.439   22.543 -0.000000 0.000000 
1 1 1    0    0   37 o  219.452   6.0904  327.913   18.048  329.576   25.596  326.269   25.453  220.007   8.6153  218.896   8.6109 -0.000000 0.000000 
1 1 1    0    0   38 f  470.282   12.231  1502.61   77.827  1502.61   77.827   0.0000   0.0000  470.282   12.231  470.282   12.231 -0.000000 0.000000 
1 1 1    0    0   39 o  134.215   8.7100  123.635   15.689  123.635   15.689   0.0000   0.0000  134.215   8.7100  134.215   8.7100 -0.000000 0.000000 
1 1 1    0    0   40 o  1524.29   23.934 15846.58  493.576 16314.59  712.104 15413.85  684.743  1545.90   34.029  1502.68   33.664 -0.000000 0.000000 
1 1 1    0    0   41 o  105.846   9.3129   77.695   13.120   0.0000   0.0000   77.695   13.120  105.846   9.3129  105.846   9.3129 -0.000000 0.000000 
1 1 1    0    0   43 o  118.553   9.6277   97.160   15.233   97.160   15.233   0.0000   0.0000  118.553   9.6277  118.553   9.6277 -0.000000 0.000000 
1 1 1    0    0   44 o  288.337   6.7559  564.654   26.311  594.426   38.045  537.362   36.426  295.639   9.5185  281.036   9.5900 -0.000000 0.000000 
1 1 1    0    0   45 o   72.580   10.243   40.938   8.5825   30.524   12.383   50.565   11.906   60.863   17.327   84.298   10.929 -0.000000 0.000000 
1 1 1    0    0   46 o  907.419   14.739  5608.18  181.021  5618.85  256.645  5597.61  255.364  908.272   20.876  906.566   20.811 -0.000000 0.000000 
1 1 1    0    0   47 o  310.400   6.9840  655.411   29.307  654.049   41.734  656.735   41.163  310.071   9.9555  310.728   9.7977 -0.000000 0.000000 
1 1 1    0    0   48 o  799.059   13.192  4347.85  142.652  4407.17  203.773  4290.83  199.766  804.398   18.716  793.719   18.596 -0.000000 0.000000 
1 1 1    0    0   49 o  109.301   9.6298   82.899   14.009   0.0000   0.0000   82.899   14.009  109.301   9.6298  109.301   9.6298 -0.000000 0.000000 
1 1 1    0    0   50 o  1290.51   29.019 11422.21  506.912   0.0000   0.0000 11422.21  506.912  1290.51   29.019  1290.51   29.019 -0.000000 0.000000 
1 1 1    0    0   51 o  122.366   6.9145  104.385   11.176   90.469   16.043  117.507   15.578  114.011   10.594  130.721   8.8885 -0.000000 0.000000 
1 1 1    0    0   52 f  986.237   15.970  6652.72  213.178  6624.75  300.971  6680.89  301.990  984.149   22.594  988.325   22.575 -0.000000 0.000000 
1 1 1    0    0   53 o  102.884   7.2489   73.531   9.7762   85.873   14.399   62.977   13.316  111.235   9.7234   94.532   10.754 -0.000000 0.000000 
1 1 1    0    0   54 o  552.636   9.8381  2080.58   73.571  2064.00  103.811  2097.32  104.280  550.414   13.938  554.858   13.888 -0.000000 0.000000 
1 1 1    0    0   55 o  185.159   9.1632  234.381   22.863  234.381   22.863   0.0000   0.0000  185.159   9.1632  185.159   9.1632 -0.000000 0.000000 
1 1 1    0    0   56 o  828.713   13.703  4698.15  153.698  4683.04  217.289  4713.27  217.436  827.368   19.404  830.058   19.354 -0.000000 0.000000 
1 1 1    0    0   57 o  366.722   7.6569  916.110   37.973  902.911   53.736  929.274   53.668  364.062   10.914  369.383   10.742 -0.000000 0.000000 
1 1 1    0    0   58 o  962.751   15.712  6365.08  204.722  6279.22  287.347  6453.58  291.744  956.159   22.204  969.344   22.236 -0.000000 0.000000 
1 1 1    0    0   59 o   81.297   9.1429   48.460   9.2130   44.546   13.310   52.061   12.766   77.379   14.072   85.215   11.677 -0.000000 0.000000 
1 1 1    0    0   60 o  590.497   10.389  2381.16   83.014  2376.16  117.658  2386.12  117.142  589.863   14.740  591.130   14.644 -0.000000 0.000000 
1 1 1    0    0   61 o  105.326   7.6711   78.736   10.456   66.629   15.103   89.881   14.490   96.811   12.010  113.842   9.5474 -0.000000 0.000000 
1 1 1    0    0   62 f  323.152   7.2583  711.308   31.691  731.164   45.858  693.156   43.845  327.459   10.358  318.845   10.171 -0.000000 0.000000 
1 1 1    0    0   63 o   57.386   11.845   28.999   8.3054   20.099   12.438   36.162   11.157   45.355   19.628   69.418   13.265 -0.000000 0.000000 
1 1 1    0    0   64 o  158.268   6.6466  172.078   14.103  171.322   20.668  172.736   19.293  157.859   9.7465  158.676   9.0396 -0.000000 0.000000 
1 1 1    0    0   65 o  260.258   9.5222  462.314   33.482   0.0000   0.0000  462.314   33.482  260.258   9.5222  260.258   9.5222 -0.000000 0.000000 
1 1 1    0    0   66 o  360.481   7.6951  886.255   37.486  840.320   52.308  934.752   53.747  350.824   11.027  370.137   10.736 -0.000000 0.000000 
1 1 1    0    0   67 o  205.150   6.7497  288.463   18.641  278.736   26.832  297.538   25.917  201.709   9.8701  208.590   9.2095 -0.000000 0.000000 
1 1 1    0    0   68 o   22.253   10.296  -1.4049   7.6895  -3.5223   11.648   0.2309   10.238   21.859   14.558   22.646   14.563 -0.000000 0.000000 
1 1 1    0    0   69 o   81.122   9.9414   48.783   9.9145   47.981   14.429   49.500   13.646   80.078   14.779   82.166   13.301 -0.000000 0.000000 
1 1 1    0    0   70 o   79.004   15.213   47.076   14.544   47.076   14.544   0.0000   0.0000   79.004   15.213   79.004   15.213 -0.000000 0.000000 
1 1 1    0    0   71 o   28.660   11.838   3.2750   8.4090   13.551   12.443  -5.3638   11.409   36.712   19.145   20.608   13.930 -0.000000 0.000000 
1 1 1    0    0   72 o  343.756   7.5995  808.279   35.317  802.372   50.311  814.017   49.588  342.479   10.865  345.033   10.628 -0.000000 0.000000 
1 1 1    0    0   73 o   47.351   13.802   21.646   8.7696   21.455   12.886   21.811   11.969   46.796   19.954   47.907   19.072 -0.000000 0.000000 
1 1 1    0    0   74 o  231.308   6.8003  367.148   21.200  347.151   30.131  386.751   29.833  224.945   9.9286  237.671   9.2950 -0.000000 0.000000 
1 1 1    0    0   75 o   27.563   11.737   5.0854   7.9611   7.5159   11.772   3.0367   10.807   29.893   17.460   25.233   15.690 -0.000000 0.000000 
1 1 1    0    0   76 o  138.502   7.0635  132.784   13.081  138.689   19.126  127.594   17.930  141.396   10.100  135.608   9.8774 -0.000000 0.000000 
1 1 1    0    0   77 o   50.553   12.953   23.210   8.8602   33.562   13.122   14.536   12.012   63.546   17.617   37.561   18.994 -0.000000 0.000000 
1 1 1    0    0   78 o  276.962   7.1342  527.353   26.657  490.542   37.287  565.837   38.125  266.937   10.343  286.987   9.8292 -0.000000 0.000000 
1 1 1    0    0   79 o  249.295   9.7415  427.863   32.795   0.0000   0.0000  427.863   32.795  249.295   9.7415  249.295   9.7415 -0.000000 0.000000 
1 1 1    0    0   80 o  171.766   6.9334  205.103   15.959  193.458   23.093  215.748   22.080  166.841   10.304  176.690   9.2800 -0.000000 0.000000 
1 1 1    0    0   81 o   94.598   8.4614   64.822   10.326   63.070   15.078   66.369   14.171   93.014   12.617   96.182   11.278 -0.000000 0.000000 
1 1 1    0    0   82 o  214.423   6.7930  318.097   19.634  324.396   28.412  312.340   27.164  216.404   9.7334  212.442   9.4785 -0.000000 0.000000 
1 1 1    0    0   83 o   40.448   13.606   16.851   8.6969   12.662   11.788   21.853   12.883   34.678   18.479   46.219   19.974 -0.000000 0.000000 
1 1 1    0    0   84 o   81.326   13.759   50.019   13.860   50.019   13.860   0.0000   0.0000   81.326   13.759   81.326   13.759 -0.000000 0.000000 
1 1 1    0    0   85 o   30.385   12.079   8.5152   7.8265   13.455   11.305   3.9683   10.846   35.327   18.296   25.443   15.775 -0.000000 0.000000 
1 1 1    0    0   86 o   95.580   8.5032   67.233   10.409   59.540   14.779   74.805   14.662   89.312   13.018  101.847   10.943 -0.000000 0.000000 
1 1 1    0    0   87 o   28.822   11.769   7.6291   7.5388   11.206   11.028   4.4914   10.329   32.344   17.667   25.299   15.553 -0.000000 0.000000 
1 1 1    0    0   88 o  173.928   6.8873  213.351   16.075  198.864   22.879  227.475   22.590  167.756   10.149  180.100   9.3129 -0.000000 0.000000 
1 1 1    0    0   89 o   88.818   9.3975   59.408   10.357   70.619   15.186   49.659   14.162   97.877   11.922   79.760   14.530 -0.000000 0.000000 
1 1 1    0    0   90 o   61.303   12.609   33.356   9.0855   32.942   13.238   33.724   12.492   60.197   18.549   62.409   17.084 -0.000000 0.000000 
1 1 1    0    0   91 o   17.367   11.985  -6.1731   9.4567   0.0000   0.0000  -6.1731   9.4567   17.367   11.985   17.367   11.985 -0.000000 0.000000 
1 1 1    0    0   92 o   26.823   16.163   6.3974   10.685   0.0000   0.0000   6.3974   10.685   26.823   16.163   26.823   16.163 -0.000000 0.000000 
1 1 1    0    0   93 o   27.484   16.561   6.9349   11.216   0.0000   0.0000   6.9349   11.216   27.484   16.561   27.484   16.561 -0.000000 0.000000 
1 1 1    0    0   94 o   30.664   17.670   10.280   11.806   0.0000   0.0000   10.280   11.806   30.664   17.670   30.664   17.670 -0.000000 0.000000 
1 1 1    0    1    1 o   10.290   3.7842   0.5631   0.6934   0.5631   0.6934   0.0000   0.0000   10.290   3.7842  ?   ?       ?      ? 
1 1 1    0    1    2 o   3.8363   1.4058   0.0791   0.0956   0.0000   0.0000   0.0791   0.0956  ?   ?    3.8363   1.4058      ?      ? 
1 1 1    0    1    3 o   2.5905   1.3000  -0.5903   0.1992  -0.5903   0.1992   0.0000   0.0000   2.5905   1.3000  ?   ?       ?      ? 
1 1 1    0    1    7 o  227.275   3.9330  350.030   12.113  347.240   17.081  352.852   17.180  226.364   5.5684  228.186   5.5558 -1.821777 7.866024 
1 1 1    0    1    8 f  1202.79   13.360  9819.11  217.760  9853.94  308.679  9784.59  307.245  1204.91   18.905  1200.66   18.883 4.244751 26.72024 
1 1 1    0    1    9 f  249.717   4.0966  422.593   13.863  423.062   19.599  422.124   19.611  249.856   5.7885  249.579   5.7984 0.2772064 8.193242 
1 1 1    0    1   10 o  1009.69   11.340  6916.54  155.163  6887.33  218.837  6946.06  220.035  1007.55   16.028  1011.84   16.047 -4.285583 22.68039 
1 1 1    0    1   11 o  652.074   7.6883  2882.70   67.936  2866.20   95.725  2899.45   96.431  650.194   10.864  653.954   10.881 -3.760315 15.37656 
1 1 1    0    1   12 o  1200.74   13.356  9788.05  217.328  9808.70  307.670  9767.49  307.028  1202.00   18.888  1199.48   18.889 2.527466 26.71254 
1 1 1    0    1   13 o  863.478   12.044  5052.39  132.699  5083.74  230.742  5036.89  162.208  865.238   19.679  861.719   13.891 3.518860 24.08780 
1 1 1    0    1   14 o  1009.83   13.909  6915.23  179.206  6956.89  311.613  6894.64  219.054  1011.71   22.729  1007.96   16.037 3.749084 27.81713 
1 1 1    0    1   15 f  201.625   4.6916  275.252   12.104  274.693   14.841  276.361   20.921  201.329   5.4395  201.921   7.6456 -0.5916443 9.383160 
1 1 1    0    1   16 o  103.349   4.2156   70.883   5.6239   67.679   6.8938   77.257   9.7239   99.934   5.0905  106.764   6.7210 -6.829720 8.431236 
1 1 1    0    1   17 o  1028.83   11.559  7185.91  161.156  7122.65  226.607  7250.64  229.232  1024.25   16.326  1033.41   16.369 -9.156250 23.11897 
1 1 1    0    1   18 o  190.225   3.8230  245.243   9.8548  247.635   13.954  242.862   13.919  191.151   5.3871  189.300   5.4261 1.851532 7.646084 
1 1 1    0    1   19 o  196.740   4.7419  260.814   11.885  257.854   14.474  266.937   20.821  195.051   5.4761  198.428   7.7431 -3.377274 9.483835 
1 1 1    0    1   20 o  1042.34   14.372  7385.27  191.102  7366.38  233.608  7423.48  332.263  1041.12   16.558  1043.56   23.495 -2.444824 28.74360 
1 1 1    0    1   21 o  198.199   3.9070  266.271   10.494  266.995   14.823  265.544   14.857  198.469   5.5114  197.929   5.5391 0.5402679 7.813949 
1 1 1    0    1   22 o  134.988   4.5519  123.687   7.8536  123.076   13.574  123.994   9.6287  134.724   7.4352  135.251   5.2534 -0.5269775 9.103886 
1 1 1    0    1   23 o  721.036   8.4185  3530.04   82.256  3545.47  116.600  3514.75  116.058  722.604   11.907  719.467   11.904 3.137390 16.83694 
1 1 1    0    1   24 f  507.111   6.3423  1744.55   43.583  1731.58   61.354  1757.76   61.922  505.210   8.9617  509.013   8.9770 -3.803375 12.68458 
1 1 1    0    1   25 o  266.037   4.3538  479.832   15.696  477.586   22.138  482.101   22.257  265.411   6.1551  266.663   6.1592 -1.251526 8.707570 
1 1 1    0    1   26 o  154.878   3.8405  162.577   8.0591  158.529   11.325  166.730   11.471  152.925   5.4649  156.831   5.3974 -3.906784 7.680931 
1 1 1    0    1   27 o  829.228   9.5293  4670.19  107.069  4602.10  149.993  4740.92  152.886  823.072   13.448  835.384   13.505 -12.31201 19.05864 
1 1 1    0    1   28 f  168.604   3.9217  192.684   8.9598  189.787   12.631  195.618   12.711  167.328   5.5706  169.880   5.5215 -2.551758 7.843404 
1 1 1    0    1   29 o  201.625   4.0602  275.560   11.094  276.584   15.664  274.529   15.713  202.001   5.7224  201.249   5.7615 0.7522736 8.120416 
1 1 1    0    1   30 o  144.781   3.9730  142.105   7.7911  147.540   11.040  136.712   10.997  147.540   5.5218  142.021   5.7138 5.518738 7.945925 
1 1 1    0    1   31 f  1378.15   18.775 12963.76  330.716 12927.67  571.559 12981.93  405.489  1375.17   30.670  1381.12   21.665 -5.941406 37.55084 
1 1 1    0    1   32 o  550.497   9.6138  2055.03   71.719   0.0000   0.0000  2055.03   71.719  ?   ?   550.497   9.6138      ?      ? 
1 1 1    0    1   33 o  659.845   9.6052  2951.79   80.937  2945.90   99.041  2963.62  140.435  659.029   11.090  660.661   15.686 -1.632019 19.21032 
1 1 1    0    1   34 o  1160.23   15.905  9130.39  235.115  9073.78  286.791  9246.42  410.586  1155.60   18.314  1164.87   26.010 -9.276001 31.81070 
1 1 1    0    1   35 o  380.138   5.3106  979.520   27.356  989.583   38.851  969.625   38.526  382.074   7.5036  378.201   7.5170 3.872803 10.62119 
1 1 1    0    1   36 o  1407.20   15.601 13470.58  297.474 13300.60  417.050 13646.64  424.431  1398.18   22.011  1416.23   22.115 -18.04370 31.20212 
1 1 1    0    1   37 o  210.496   6.0639  300.317   17.297  300.317   17.297   0.0000   0.0000  210.496   6.0639  ?   ?       ?      ? 
1 1 1    0    1   38 o  922.716   14.954  5743.69  186.112  5289.87  248.963  6318.53  280.202  881.809   20.834  963.623   21.458 -81.81390 29.90812 
1 1 1    0    1   39 o  998.331   13.856  6777.65  176.694  6782.16  306.105  6775.40  216.383  997.947   22.635  998.715   15.988 -0.7678833 27.71215 
1 1 1    0    1   40 o  947.443   13.224  6126.94  160.523  6036.49  275.304  6173.52  197.587  941.544   21.577  953.343   15.294 -11.79938 26.44758 
1 1 1    0    1   41 o  996.312   11.286  6745.10  152.367  6694.10  214.362  6797.17  216.615  992.511   15.938  1000.11   15.983 -7.603760 22.57140 
1 1 1    0    1   42 o  123.474   4.4352  103.355   7.4208  102.359   10.504  104.348   10.486  122.880   6.3078  124.068   6.2366 -1.188446 8.870375 
1 1 1    0    1   43 o  395.893   5.5043  1062.81   29.530  1067.55   41.873  1058.11   41.651  396.772   7.7877  395.014   7.7808 1.758209 11.00861 
1 1 1    0    1   44 o  355.060   5.1983  854.781   25.011  863.001   35.558  846.732   35.187  356.749   7.3551  353.371   7.3480 3.378265 10.39665 
1 1 1    0    1   45 o  171.394   4.3569  199.169   10.119  196.709   14.317  201.626   14.304  170.336   6.2023  172.453   6.1207 -2.116898 8.713848 
1 1 1    0    1   46 o  575.594   8.7099  2267.85   64.461  2195.33  109.257  2306.58   79.836  568.239   14.188  582.949   10.106 -14.70972 17.41973 
1 1 1    0    1   47 o   57.467   8.7304   21.658   6.2974   18.186   7.6364   29.039   11.133   50.747   11.385   64.188   13.239 -13.44159 17.46081 
1 1 1    0    1   48 f  842.352   12.007  4889.62  130.502  4659.13  218.520  5017.40  162.703  825.937   19.524  858.766   13.981 -32.82819 24.01335 
1 1 1    0    1   49 o  589.882   7.2510  2362.60   57.952  2411.92   82.903  2315.47   81.042  595.899   10.266  583.865   10.243 12.03345 14.50205 
1 1 1    0    1   50 o  529.106   8.1658  1886.85   54.970  1856.10   66.797  1951.37   96.755  522.788   9.4286  535.424   13.335 -12.63580 16.33156 
1 1 1    0    1   51 o   70.577   6.2043   33.965   5.8794   28.424   8.2466   39.693   8.3847   64.687   9.4075   76.467   8.0915 -11.77975 12.40863 
1 1 1    0    1   52 o  209.225   4.4450  296.848   12.600  306.269   18.014  287.825   17.630  212.475   6.2563  205.976   6.3160 6.499557 8.890032 
1 1 1    0    1   53 o  508.842   8.0366  1774.84   52.364  1801.92   64.549  1722.71   89.553  514.938   9.2501  502.745   13.145 12.19321 16.07319 
1 1 1    0    1   54 o  292.904   5.9855  588.985   22.356  601.533   27.485  564.453   38.430  297.700   6.8130  288.108   9.8432 9.591370 11.97100 
1 1 1    0    1   55 o  197.173   4.4658  263.855   11.932  262.541   16.948  265.147   16.800  196.684   6.3587  197.663   6.2721 -0.9780884 8.931533 
1 1 1    0    1   56 o  449.622   7.3892  1366.53   42.278  1404.38   74.266  1348.38   51.425  453.844   12.075  445.401   8.5200 8.443207 14.77847 
1 1 1    0    1   57 o  528.845   6.7314  1902.90   48.241  1894.68   68.057  1911.20   68.390  527.698   9.5171  529.992   9.5223 -2.293579 13.46285 
1 1 1    0    1   58 f  403.713   5.6569  1107.80   30.948  1101.47   43.666  1114.19   43.868  402.553   8.0046  404.873   7.9956 -2.320099 11.31379 
1 1 1    0    1   59 o  170.795   4.4955  198.128   10.397  188.505   14.655  207.880   14.752  166.611   6.4909  174.980   6.2214 -8.368805 8.990997 
1 1 1    0    1   60 o  117.548   4.8275   93.874   7.6893   93.320   10.923   94.418   10.826  117.202   6.8774  117.894   6.7764 -0.6921463 9.654977 
1 1 1    0    1   61 o  287.372   4.8785  561.122   18.998  565.137   26.964  557.164   26.771  288.393   6.8995  286.352   6.8990 2.041626 9.757009 
1 1 1    0    1   62 o  297.701   4.9536  602.355   19.984  603.867   28.328  600.857   28.196  298.071   7.0131  297.330   6.9979 0.7417908 9.907249 
1 1 1    0    1   63 o  191.946   4.5971  249.517   11.936  270.814   17.421  230.676   16.386  199.645   6.4391  184.247   6.5628 15.39764 9.194174 
1 1 1    0    1   64 o  123.337   5.8033  103.915   9.1974  102.434   15.680  104.693   11.356  122.570   9.4401  124.104   6.7525 -1.533752 11.60654 
1 1 1    0    1   65 o  194.301   4.5962  256.607   12.102  257.099   17.056  256.109   17.173  194.491   6.4712  194.111   6.5286 0.3799591 9.192368 
1 1 1    0    1   66 o   77.670   7.3387   41.259   7.3939   41.360   9.2185   41.078   12.380   77.898   8.7328   77.443   11.797 0.4544678 14.67749 
1 1 1    0    1   67 o  224.301   4.7087  342.137   14.312  338.761   20.245  345.509   20.235  223.191   6.6935  225.411   6.6244 -2.220245 9.417360 
1 1 1    0    1   68 o   57.587   8.1290   23.754   6.1855   16.033   8.8309   31.191   8.6666   47.585   13.221   67.589   9.4622 -20.00349 16.25798 
1 1 1    0    1   69 o   87.072   7.1876   47.193   8.0521   37.609   9.7033   68.389   14.430   74.191   9.6513   99.954   10.653 -25.76295 14.37513 
1 1 1    0    1   70 o   36.501   9.2770   7.7550   5.8340   8.1695   8.5807   7.3988   7.9559   37.291   13.369   35.712   12.866 1.578945 18.55398 
1 1 1    0    1   71 o  476.608   7.8453  1549.88   47.530  1584.85   83.494  1533.12   57.811  479.534   12.849  473.681   9.0062 5.852844 15.69061 
1 1 1    0    1   72 o  121.386   5.1849  100.480   8.5257   98.474   12.137  102.435   11.979  120.177   7.4527  122.595   7.2103 -2.417572 10.36973 
1 1 1    0    1   73 o  114.356   5.2678   89.336   8.1422   81.625   11.477   97.151   11.553  109.349   7.7450  119.363   7.1425 -10.01342 10.53566 
1 1 1    0    1   74 o   83.254   6.1812   47.457   6.9728   48.486   9.9123   46.448   9.8106   84.152   8.6921   82.355   8.7907 1.797592 12.36239 
1 1 1    0    1   75 o   53.027   8.6513   20.242   6.0928   21.311   8.6618   19.196   8.5719   54.446   12.058   51.608   12.409 2.838615 17.30256 
1 1 1    0    1   76 o  263.134   4.9165  472.409   17.516  500.540   25.274  446.410   24.297  270.680   6.8903  255.587   7.0151 15.09302 9.832997 
1 1 1    0    1   77 o  153.536   4.8908  160.988   10.167  170.322   14.670  152.362   14.104  157.824   6.8594  149.248   6.9734 8.575333 9.781658 
1 1 1    0    1   78 o   58.487   9.5616   25.445   7.1465   22.939   12.310   26.719   8.7768   55.848   15.643   61.126   11.000 -5.278179 19.12329 
1 1 1    0    1   79 o   80.685   6.2859   44.883   6.8061   53.753   9.9053   36.950   9.3677   88.326   8.2755   73.044   9.4639 15.28242 12.57175 
1 1 1    0    1   80 o   75.099   7.6043   39.056   7.4633   38.012   9.3396   40.902   12.414   74.015   9.3116   76.182   12.025 -2.167076 15.20855 
1 1 1    0    1   81 o  145.719   4.9371  146.104   9.7419  139.216   13.737  153.072   13.817  142.217   7.1281  149.221   6.8329 -7.003967 9.874133 
1 1 1    0    1   82 o  124.277   6.2531  104.089   9.9284   97.701   12.011  117.869   17.642  118.930   7.4526  129.624   10.043 -10.69431 12.50624 
1 1 1    0    1   83 o   95.911   7.3187   68.330   8.7025   75.129   10.736   55.303   14.860  104.125   7.6086   87.696   12.504 16.42878 14.63740 
1 1 1    0    1   84 o   69.021   8.4852   32.326   7.3000   42.362   13.266   27.967   8.7427   75.229   13.509   62.813   10.271 12.41582 16.97043 
1 1 1    0    1   85 o   78.165   7.5398   40.384   7.5318   54.175   13.704   34.414   9.0157   86.590   11.678   69.740   9.5397 16.85012 15.07953 
1 1 1    0    1   86 o   59.345   7.7691   26.150   6.0077   34.731   8.6129   18.019   8.3842   70.059   9.0720   48.631   12.615 21.42821 15.53823 
1 1 1    0    1   87 f   26.291   7.9199   0.1913   5.1032  -3.2962   7.2346   3.6450   7.1996   23.275   10.565   29.307   11.802 -6.031977 15.83981 
1 1 1    0    1   88 o   29.462   8.4172   3.4948   5.2642   1.3092   7.5478   5.5649   7.3457   27.419   11.649   31.505   12.153 -4.086630 16.83447 
1 1 1    0    1   89 o   48.160   8.5224   18.052   5.8155   10.778   8.2742   25.153   8.1753   38.390   13.177   57.931   10.811 -19.54166 17.04483 
1 1 1    0    1   90 o  103.386   6.6510   77.723   8.8444   74.537   14.835   79.481   11.016  100.685   10.873  106.087   7.6628 -5.401360 13.30191 
1 1 1    0    1   91 o   37.314   9.3283   9.8018   6.4392   1.3434   10.521   14.868   8.1424   31.097   13.487   43.530   12.891 -12.43326 18.65670 
1 1 1    0    1   92 o   40.161   10.363   10.842   7.7280   18.204   11.188   4.1238   10.687   47.106   15.307   33.216   13.973 13.88930 20.72519 
1 1 1    0    1   93 o   82.986   8.9065   52.983   10.010   55.200   14.444   50.935   13.885   84.658   12.591   81.314   12.601 3.344353 17.81308 
1 1 1    0    1   94 o   44.721   16.323   16.566   12.867   16.566   12.867   0.0000   0.0000   44.721   16.323  ?   ?       ?      ? 
1 1 1    0    1   95 o   43.715   16.266   16.003   12.881   16.003   12.881   0.0000   0.0000   43.715   16.266  ?   ?       ?      ? 
1 1 1    0    2    0 f  600.575   10.142  2445.09   82.541  2438.54  116.572  2451.67  116.891  599.769   14.343  601.380   14.343 -1.611389 20.28391 
1 1 1    0    2    1 o  1317.81   14.587 11787.65  260.462 11621.74  364.888 11960.01  371.911  1308.36   20.580  1327.25   20.678 -18.89197 29.17385 
1 1 1    0    2    2 o  221.202   3.9032  331.574   11.700  335.064   16.595  328.124   16.498  222.360   5.5071  220.045   5.5326 2.314850 7.806303 
1 1 1    0    2    3 o  462.246   5.8619  1447.84   36.714  1422.60   51.415  1474.10   52.444  458.136   8.2816  466.355   8.2984 -8.218811 11.72382 
1 1 1    0    2    4 o  683.409   7.9952  3166.39   74.043  3146.82  104.329  3186.26  105.102  681.281   11.300  685.537   11.313 -4.255676 15.99048 
1 1 1    0    2    5 o  178.883   3.6699  216.790   8.8933  224.913   12.679  208.924   12.478  182.181   5.1357  175.585   5.2440 6.595459 7.339892 
1 1 1    0    2    6 o  722.683   8.3981  3540.75   82.240  3500.26  115.506  3582.38  117.121  718.494   11.863  726.872   11.890 -8.377930 16.79622 
1 1 1    0    2    7 f  925.738   10.477  5810.60  131.405  5697.25  183.438  5930.09  188.329  916.471   14.770  935.005   14.863 -18.53369 20.95429 
1 1 1    0    2    8 o  441.273   5.6820  1319.76   33.977  1311.08   47.875  1328.57   48.229  439.811   8.0326  442.736   8.0386 -2.924103 11.36401 
1 1 1    0    2    9 f  310.104   4.5717  651.718   19.212  654.126   27.204  649.321   27.135  310.675   6.4616  309.532   6.4690 1.143066 9.143334 
1 1 1    0    2   10 o  2112.95   23.217 30351.60  663.805 31868.25  971.344 29022.64  909.253  2162.23   33.150  2063.67   32.513 98.55786 46.43349 
1 1 1    0    2   11 o  1930.46   26.016 25546.37  643.748 25125.54  1102.13 25764.28  793.101  1915.91   42.450  1945.01   30.090 -29.09729 52.03257 
1 1 1    0    2   12 o  1050.08   11.777  7482.67  167.573  7565.57  238.693  7402.10  235.311  1055.81   16.683  1044.34   16.627 11.46301 23.55375 
1 1 1    0    2   13 o  981.576   11.066  6538.26  147.197  6551.07  208.389  6525.51  207.947  982.535   15.651  980.617   15.648 1.918152 22.13208 
1 1 1    0    2   14 o  672.219   7.9076  3063.86   72.028  3103.66  102.650  3025.25  101.095  676.519   11.197  667.919   11.169 8.599670 15.81521 
1 1 1    0    2   15 f  802.326   11.318  4413.82  116.948  4516.41  145.335  4225.37  196.981  815.926   13.144  788.727   18.430 27.19958 22.63670 
1 1 1    0    2   16 o  1690.33   22.877 19511.50  493.824 19498.00  604.693 19538.52  855.655  1691.76   26.376  1688.91   37.386 2.855103 45.75404 
1 1 1    0    2   17 o  172.024   4.6430  200.126   10.144  199.279   12.339  201.891   17.816  171.475   5.3100  172.573   7.6180 -1.097885 9.286057 
1 1 1    0    2   18 o  927.663   12.892  5811.75  151.925  5741.84  184.527  5958.86  267.674  919.570   14.808  935.756   21.109 -16.18616 25.78466 
1 1 1    0    2   19 o  318.864   4.7002  689.169   20.309  680.891   28.540  697.660   28.906  316.925   6.6452  320.803   6.6491 -3.878693 9.400469 
1 1 1    0    2   20 o  732.789   8.5322  3644.70   84.723  3613.75  119.137  3676.36  120.508  729.644   12.049  735.934   12.084 -6.289978 17.06435 
1 1 1    0    2   21 o  127.137   3.7203  109.497   6.4034  102.912   8.9449  116.420   9.1710  123.217   5.3570  131.056   5.1639 -7.839546 7.440637 
1 1 1    0    2   22 o  679.273   9.8168  3142.47   85.358  3113.64  146.892  3157.17  104.883  676.593   16.021  681.954   11.349 -5.361633 19.63354 
1 1 1    0    2   23 f  792.616   11.231  4290.29  114.072  4221.69  195.498  4325.70  140.463  787.277   18.324  797.955   12.990 -10.67773 22.46149 
1 1 1    0    2   24 f  614.966   7.3781  2566.77   61.485  2551.30   86.620  2582.48   87.290  613.100   10.426  616.832   10.443 -3.732483 14.75625 
1 1 1    0    2   25 o  1342.30   14.937 12292.21  271.704 12251.62  383.351 12333.19  385.151  1340.08   21.110  1344.52   21.139 -4.441040 29.87430 
1 1 1    0    2   26 o  535.058   6.6209  1942.27   48.007  1941.08   67.837  1943.46   67.947  534.894   9.3587  535.222   9.3681 -0.3276367 13.24187 
1 1 1    0    2   27 o  404.451   5.4525  1109.11   29.882  1096.29   41.983  1122.28   42.542  402.082   7.7051  406.820   7.7168 -4.738464 10.90491 
1 1 1    0    2   28 o  552.331   6.7957  2068.92   50.859  2038.33   71.292  2100.63   72.576  548.175   9.5971  556.487   9.6240 -8.311829 13.59141 
1 1 1    0    2   29 o  977.298   13.565  6494.58  169.322  6504.73  293.437  6489.52  207.318  977.227   22.158  977.369   15.653 -0.1426392 27.12945 
1 1 1    0    2   30 o  420.229   6.8682  1196.93   36.905  1199.72   63.849  1195.53   45.225  420.533   11.204  419.925   7.9473 0.6082764 13.73634 
1 1 1    0    2   31 o  171.956   4.0442  200.393   9.4236  198.507   13.253  202.320   13.402  171.139   5.7148  172.774   5.7239 -1.635864 8.088389 
1 1 1    0    2   32 o  658.360   9.5866  2947.88   80.806  2961.11   99.298  2921.94  139.036  660.724   11.090  655.995   15.640 4.729187 19.17316 
1 1 1    0    2   33 o  790.256   12.944  4243.41  138.621  4236.22  195.981  4250.61  196.099  789.584   18.316  790.927   18.296 -1.342407 25.88866 
1 1 1    0    2   34 o  449.326   8.3128  1369.47   50.615  1355.70   71.290  1383.47   71.874  447.047   11.768  451.605   11.744 -4.557587 16.62567 
1 1 1    0    2   35 o  352.099   6.2523  833.863   27.986  821.538   33.988  859.810   49.316  348.131   7.2045  356.068   10.221 -7.937683 12.50455 
1 1 1    0    2   36 o  1046.06   14.461  7433.71  192.992  7418.95  235.963  7463.54  335.421  1045.13   16.661  1047.00   23.641 -1.861816 28.92168 
1 1 1    0    2   37 o  376.870   5.2997  962.819   27.066  958.315   38.149  967.383   38.406  375.982   7.4875  377.757   7.5024 -1.774475 10.59944 
1 1 1    0    2   38 o  363.680   5.2006  896.423   25.627  881.633   35.910  911.775   36.585  360.624   7.3481  366.737   7.3615 -6.112518 10.40126 
1 1 1    0    2   39 o  738.073   8.6459  3696.67   86.475  3680.82  121.894  3712.73  122.697  736.482   12.213  739.664   12.241 -3.182678 17.29189 
1 1 1    0    2   40 o  266.975   5.6059  480.389   19.114  491.885   33.322  474.751   23.336  269.311   9.1304  264.639   6.5070 4.672028 11.21180 
1 1 1    0    2   41 o  966.030   10.978  6340.38  143.702  6422.79  204.915  6260.63  201.577  972.201   15.554  959.860   15.497 12.34113 21.95630 
1 1 1    0    2   42 o  222.003   4.3853  334.045   13.191  341.653   18.788  326.648   18.524  224.496   6.1759  219.510   6.2274 4.986069 8.770536 
1 1 1    0    2   43 o  378.822   5.3766  973.052   27.600  961.085   38.853  985.242   39.214  376.470   7.6157  381.173   7.5917 -4.702881 10.75325 
1 1 1    0    2   44 o  582.280   7.1550  2300.71   56.457  2288.64   79.594  2312.93   80.093  580.744   10.114  583.816   10.124 -3.072388 14.30994 
1 1 1    0    2   45 o  539.904   6.7637  1977.78   49.483  1956.92   69.500  1999.22   70.470  537.019   9.5501  542.789   9.5806 -5.769592 13.52747 
1 1 1    0    2   46 o  311.440   5.9908  662.183   23.944  645.040   40.818  671.178   29.566  308.281   9.7707  314.598   6.9350 -6.316772 11.98168 
1 1 1    0    2   47 o  452.517   7.3489  1403.00   42.760  1349.98   72.358  1431.46   53.005  445.730   11.979  459.305   8.5159 -13.57538 14.69775 
1 1 1    0    2   48 o  296.060   4.8172  594.427   19.325  586.734   27.151  602.326   27.513  294.119   6.8121  298.001   6.8130 -3.882294 9.634356 
1 1 1    0    2   49 o  100.909   4.9424   69.069   6.7581   70.015   9.6161   68.145   9.4998  101.593   6.9848  100.226   6.9944 1.366432 9.884788 
1 1 1    0    2   50 o  190.943   5.3014  245.802   13.044  252.580   22.344  242.298   16.066  192.883   8.5484  189.002   6.2726 3.880844 10.60288 
1 1 1    0    2   51 o  279.574   9.4142  530.992   35.667  530.992   35.667   0.0000   0.0000  279.574   9.4142  ?   ?       ?      ? 
1 1 1    0    2   52 o  627.081   9.3784  2669.95   74.820  2651.55   91.130  2707.98  131.056  624.388   10.770  629.774   15.356 -5.385376 18.75675 
1 1 1    0    2   53 o  233.693   5.6013  367.773   16.606  362.217   20.128  379.614   29.384  231.041   6.4289  236.346   9.1744 -5.304138 11.20270 
1 1 1    0    2   54 o  596.324   7.3438  2419.30   59.344  2402.10   83.551  2436.82   84.303  594.187   10.376  598.461   10.395 -4.274048 14.68761 
1 1 1    0    2   55 o  232.118   4.5622  365.695   14.350  368.452   20.304  362.943   20.285  232.993   6.4306  231.243   6.4732 1.750977 9.124409 
1 1 1    0    2   56 o  260.007   5.7480  457.963   19.114  463.741   33.131  455.081   23.400  261.108   9.3635  258.905   6.6695 2.203033 11.49594 
1 1 1    0    2   57 o   82.911   6.6382   42.960   7.0556   59.148   12.774   35.853   8.4638   93.206   10.114   72.615   8.6011 20.59035 13.27635 
1 1 1    0    2   58 f  393.927   5.5758  1054.72   29.765  1049.32   41.983  1060.19   42.206  392.911   7.8849  394.942   7.8860 -2.030579 11.15168 
1 1 1    0    2   59 f  356.120   5.2977  861.800   25.565  851.024   35.927  872.853   36.386  353.865   7.4921  358.375   7.4922 -4.509705 10.59548 
1 1 1    0    2   60 o  188.882   4.5177  242.300   11.563  242.709   16.321  241.887   16.386  189.044   6.3708  188.721   6.4071 0.3228607 9.035329 
1 1 1    0    2   61 o  228.403   4.6072  354.345   14.258  346.676   20.056  362.182   20.275  225.901   6.5514  230.905   6.4796 -5.003311 9.214441 
1 1 1    0    2   62 o  205.320   5.5635  285.572   14.626  290.456   25.318  283.126   17.918  206.500   9.0474  204.140   6.4770 2.360764 11.12692 
1 1 1    0    2   63 o  453.011   7.4541  1391.07   43.050  1430.40   75.337  1371.99   52.458  457.170   12.160  448.852   8.6243 8.318085 14.90826 
1 1 1    0    2   64 o  285.671   4.9080  554.146   18.986  583.248   27.378  527.181   26.353  292.894   6.8977  278.448   6.9839 14.44540 9.815967 
1 1 1    0    2   65 o  118.773   5.0209   95.945   8.0810   97.223   11.460   94.682   11.397  119.561   7.0732  117.984   7.1281 1.576279 10.04190 
1 1 1    0    2   66 o  221.157   5.6663  331.729   16.099  328.847   19.793  337.364   27.674  219.919   6.6413  222.396   9.1827 -2.476746 11.33264 
1 1 1    0    2   67 o  509.925   9.3924  1774.75   64.903  1774.75   64.903   0.0000   0.0000  509.925   9.3924  ?   ?       ?      ? 
1 1 1    0    2   68 o  252.165   5.9851  431.033   19.164  426.429   23.279  440.715   33.757  250.356   6.8617  253.974   9.8084 -3.617905 11.97029 
1 1 1    0    2   69 f   80.483   6.3037   44.239   6.8686   42.033   9.7146   46.445   9.7128   78.461   9.1367   82.506   8.6872 -4.045174 12.60739 
1 1 1    0    2   70 o  123.197   5.1386  103.191   8.5681  110.719   12.385   96.279   11.866  127.508   7.1674  118.886   7.3655 8.622223 10.27724 
1 1 1    0    2   71 o   32.023   9.1599   2.8895   6.3077  -5.2939   11.229   6.6620   7.6242   29.629   13.332   34.417   12.565 -4.787895 18.31971 
1 1 1    0    2   72 o  334.741   6.5321  769.934   27.869  757.288   48.241  776.269   34.144  332.098   10.719  337.383   7.4680 -5.285065 13.06425 
1 1 1    0    2   73 o  209.414   4.7369  298.790   13.441  303.044   19.202  294.703   18.820  210.872   6.7197  207.957   6.6781 2.915009 9.473777 
1 1 1    0    2   74 o   61.174   7.6586   26.031   6.2047   28.839   9.1540   23.644   8.4392   64.736   10.435   57.611   11.213 7.125210 15.31726 
1 1 1    0    2   75 o   45.626   8.9099   14.513   5.8652   20.250   8.5893   9.5018   8.0283   53.017   12.208   38.235   12.981 14.78180 17.81977 
1 1 1    0    2   76 o  290.905   5.0449  578.636   19.886  579.468   28.322  577.828   27.927  291.095   7.1798  290.716   7.0889 0.3787537 10.08972 
1 1 1    0    2   77 o   31.845   9.2113   3.0071   6.2538  -2.5663   11.111   5.5913   7.5660   30.870   13.612   32.821   12.414 -1.951035 18.42259 
1 1 1    0    2   78 o   53.998   8.3006   21.006   5.9109   24.913   8.6146   17.531   8.1253   58.899   11.202   49.098   12.252 9.801254 16.60113 
1 1 1    0    2   79 o   33.412   8.8028   5.6829   5.4445   9.1856   8.0071   2.6709   7.4251   37.527   12.958   29.298   11.918 8.228737 17.60564 
1 1 1    0    2   80 o  130.419   5.0273  116.908   8.8845  117.947   12.639  115.893   12.491  130.988   7.1205  129.849   7.0988 1.139648 10.05456 
1 1 1    0    2   81 o  152.084   6.9438  159.152   14.311  159.152   14.311   0.0000   0.0000  152.084   6.9438  ?   ?       ?      ? 
1 1 1    0    2   82 o  147.665   6.1648  152.250   11.561  153.152   14.120  150.415   20.133  149.035   6.9916  146.296   10.156 2.738968 12.32956 
1 1 1    0    2   83 o   30.921   8.5500   3.6484   5.3730   8.1159   7.9196  -0.1616   7.3136   35.682   12.838   26.161   11.296 9.521029 17.10007 
1 1 1    0    2   84 o   78.048   6.2424   42.744   6.5961   42.067   9.4863   43.377   9.1778   77.383   9.0463   78.712   8.6042 -1.329651 12.48473 
1 1 1    0    2   85 o  146.068   6.0441  146.921   11.183  158.219   19.973  141.761   13.497  149.215   9.8773  142.920   6.9687 6.295105 12.08814 
1 1 1    0    2   86 o   32.962   8.3930   5.6935   5.4080  -1.9520   8.0137   12.087   7.3284   25.657   11.424   40.267   12.299 -14.61050 16.78594 
1 1 1    0    2   87 o   34.469   8.8595   7.6263   5.3811   9.6542   7.8519   5.8303   7.3891   36.998   12.829   31.939   12.222 5.058559 17.71905 
1 1 1    0    2   88 o   63.204   7.3982   29.657   6.0582   22.819   8.5416   36.580   8.5938   54.722   11.861   71.687   8.8464 -16.96481 14.79642 
1 1 1    0    2   89 o   22.651   7.5309  -6.8749   5.5997  -5.5850   9.3965  -7.5852   6.9732   25.302   11.689   20.000   9.4985 5.301750 15.06184 
1 1 1    0    2   90 o   25.992   8.3054  -4.0461   5.9321   1.8632   10.154  -7.1082   7.3092   31.131   13.375   20.854   9.8506 10.27671 16.61083 
1 1 1    0    2   91 o   49.139   9.6750   16.443   6.6847   30.810   11.744   9.5566   8.1304   61.755   14.313   36.522   13.022 25.23269 19.34996 
1 1 1    0    2   92 o   33.557   9.4579   3.3275   6.3746   13.571   11.205  -1.5745   7.7513   42.055   15.250   25.060   11.191 16.99485 18.91577 
1 1 1    0    2   93 o   47.733   16.233   19.285   12.555   19.285   12.555   0.0000   0.0000   47.733   16.233  ?   ?       ?      ? 
1 1 1    0    2   94 o   29.240   13.316  -2.8368   11.613  -2.8368   11.613   0.0000   0.0000   29.240   13.316  ?   ?       ?      ? 
1 1 1    0    2   95 o   46.306   16.537   18.895   13.117   18.895   13.117   0.0000   0.0000   46.306   16.537  ?   ?       ?      ? 
1 1 1    0    2   96 o   58.949   17.737   33.611   15.325   33.611   15.325   0.0000   0.0000   58.949   17.737  ?   ?       ?      ? 
1 1 1    0    3    1 o  140.002   3.5371  132.824   6.7105  133.999   9.4998  131.655   9.4805  140.620   4.9853  139.384   5.0192 1.235367 7.074246 
1 1 1    0    3    2 o  775.587   8.9510  4076.10   94.039  3969.56  130.724  4190.36  135.380  765.094   12.608  786.080   12.709 -20.98529 17.90202 
1 1 1    0    3    3 o  396.233   5.3080  1064.08   28.501  1058.38   40.221  1069.83   40.393  395.166   7.5108  397.299   7.5024 -2.133453 10.61600 
1 1 1    0    3    4 o  795.984   9.1538  4295.52   98.723  4222.13  138.121  4372.17  141.158  789.036   12.918  802.931   12.973 -13.89453 18.30752 
1 1 1    0    3    5 o  1149.15   14.800  8933.85  198.893  8899.61  229.078  9038.70  400.863  1145.39   14.759  1152.92   25.657 -7.535156 29.59944 
1 1 1    0    3    6 o  1319.27   14.616 11816.80  261.261 11615.76  365.194 12027.56  373.917  1307.79   20.607  1330.75   20.735 -22.96008 29.23279 
1 1 1    0    3    7 o  274.414   5.2912  505.755   18.510  523.976   32.478  496.990   22.526  278.027   8.6202  270.801   6.1384 7.226166 10.58244 
1 1 1    0    3    8 o  988.379   13.653  6652.92  172.806  6574.04  296.939  6693.32  212.497  983.580   22.278  993.179   15.789 -9.599365 27.30537 
1 1 1    0    3    9 o  977.575   11.023  6484.72  146.021  6491.25  206.629  6478.20  206.382  978.067   15.590  977.084   15.587 0.9831543 22.04517 
1 1 1    0    3   10 o  1515.76   16.713 15619.75  343.270 15449.54  481.789 15795.24  489.211  1507.39   23.586  1524.14   23.686 -16.74866 33.42614 
1 1 1    0    3   11 o  975.040   11.002  6450.15  145.355  6347.14  203.399  6557.66  207.796  967.090   15.520  982.989   15.599 -15.89923 22.00494 
1 1 1    0    3   12 o  334.070   4.8040  756.199   21.745  774.705   31.045  738.376   30.466  338.082   6.7762  330.059   6.8116 8.022858 9.608028 
1 1 1    0    3   13 o  119.929   3.6235   97.450   5.8882   95.624   8.2545   99.342   8.4020  118.786   5.1279  121.073   5.1209 -2.287384 7.247037 
1 1 1    0    3   14 o  184.655   4.6687  233.068   11.043  237.250   13.625  225.059   18.855  187.101   5.3736  182.209   7.6361 4.891968 9.337304 
1 1 1    0    3   15 o  426.102   7.9022  1230.89   45.629  1230.89   45.629   0.0000   0.0000  426.102   7.9022  ?   ?       ?      ? 
1 1 1    0    3   16 o  519.015   7.8961  1811.93   52.019  1783.84   63.077  1871.64   91.973  512.890   9.0753  525.140   12.924 -12.25018 15.79225 
1 1 1    0    3   17 o  153.220   3.7413  159.064   7.7655  153.185   10.881  165.165   11.086  150.336   5.3412  156.105   5.2404 -5.768951 7.482638 
1 1 1    0    3   18 o  493.108   6.2096  1648.84   41.491  1626.78   58.238  1671.59   59.126  489.758   8.7749  496.458   8.7884 -6.699493 12.41919 
1 1 1    0    3   19 o  477.901   6.0777  1549.01   39.360  1542.12   55.507  1555.98   55.821  476.832   8.5901  478.969   8.6002 -2.137695 12.15538 
1 1 1    0    3   20 o   71.009   4.1103   34.238   3.9465   36.768   5.5714   31.691   5.5911   73.648   5.5824   68.371   6.0345 5.276634 8.220644 
1 1 1    0    3   21 o  301.166   4.6143  614.690   18.828  632.763   26.934  597.418   26.329  305.493   6.5059  296.838   6.5454 8.655945 9.228695 
1 1 1    0    3   22 o  275.669   5.4277  519.641   19.196  502.004   32.674  528.938   23.722  272.024   8.8635  279.313   6.2674 -7.288910 10.85549 
1 1 1    0    3   23 o  607.604   7.3130  2505.66   60.214  2507.02   85.144  2504.30   85.168  607.769   10.338  607.439   10.346 0.3298340 14.62606 
1 1 1    0    3   24 o  356.705   5.0465  862.737   24.393  855.893   34.330  869.716   34.666  355.277   7.1306  358.134   7.1430 -2.856964 10.09291 
1 1 1    0    3   25 o  402.624   5.4350  1099.29   29.654  1103.82   41.976  1094.78   41.897  403.452   7.6776  401.797   7.6948 1.654938 10.86997 
1 1 1    0    3   26 o  524.800   6.5371  1867.96   46.488  1848.13   65.314  1888.33   66.181  521.977   9.2337  527.622   9.2561 -5.645264 13.07423 
1 1 1    0    3   27 o  421.426   6.8994  1209.52   37.213  1189.93   63.957  1219.54   45.755  418.759   11.270  424.093   7.9615 -5.333893 13.79890 
1 1 1    0    3   28 o  845.589   13.771  4840.42  157.385  5196.91  233.145  4541.98  213.324  874.018   19.684  817.160   19.264 56.85748 27.54242 
1 1 1    0    3   29 o  424.435   6.9510  1233.39   37.941  1184.15   64.151  1259.88   47.053  417.793   11.331  431.076   8.0547 -13.28351 13.90201 
1 1 1    0    3   30 o   43.180   6.6787   13.128   3.7999   13.989   5.4373   12.307   5.3127   44.591   9.2993   41.769   9.5887 2.821644 13.35740 
1 1 1    0    3   31 o  810.365   9.3565  4454.46  102.727  4371.94  143.462  4541.29  147.163  802.669   13.189  818.060   13.275 -15.39069 18.71301 
1 1 1    0    3   32 o  979.691   11.093  6516.75  147.278  6532.31  208.559  6501.27  208.008  980.858   15.691  978.525   15.686 2.332703 22.18696 
1 1 1    0    3   33 o  189.777   4.1337  243.985   10.628  237.898   14.852  250.375   15.216  187.351   5.8497  192.202   5.8420 -4.850067 8.267307 
1 1 1    0    3   34 o  142.015   5.8387  136.693   11.237  136.693   11.237   0.0000   0.0000  142.015   5.8387  ?   ?       ?      ? 
1 1 1    0    3   35 o  480.224   7.5298  1550.90   46.001  1526.43   55.894  1602.27   80.984  474.482   8.6929  485.967   12.297 -11.48529 15.05959 
1 1 1    0    3   36 o  1322.81   14.709 11901.27  263.654 12030.99  375.498 11775.12  370.282  1329.91   20.835  1315.71   20.768 14.20142 29.41794 
1 1 1    0    3   37 o  426.107   5.7142  1230.89   32.994  1220.32   46.344  1241.76   46.983  424.253   8.0609  427.962   8.1013 -3.709381 11.42849 
1 1 1    0    3   38 o  408.512   5.5771  1131.37   30.873  1122.60   43.405  1140.36   43.921  406.909   7.8715  410.114   7.9029 -3.205414 11.15417 
1 1 1    0    3   39 o  147.845   4.2639  148.191   8.5407  151.634   12.065  144.733   12.092  149.568   5.9527  146.123   6.1064 3.444733 8.527779 
1 1 1    0    3   40 o  390.574   6.6436  1020.28   32.982  1075.97   58.438  994.255   39.954  398.218   10.829  382.930   7.6993 15.28839 13.28715 
1 1 1    0    3   41 o  499.445   7.8401  1699.25   50.150  1673.09   86.082  1712.69   61.703  496.393   12.797  502.498   9.0612 -6.104919 15.68011 
1 1 1    0    3   42 o  1127.40   12.672  8649.73  193.589  8696.89  274.710  8603.21  272.853  1130.44   17.933  1124.35   17.908 6.098145 25.34310 
1 1 1    0    3   43 o  138.570   4.4341  130.104   8.3219  136.353   11.912  124.147   11.631  141.819   6.1983  135.321   6.3425 6.498383 8.868299 
1 1 1    0    3   44 o  142.291   4.3953  137.147   8.4597  149.036   12.157  125.986   11.779  148.266   6.0508  136.315   6.3767 11.95128 8.790531 
1 1 1    0    3   45 o  346.699   6.2596  806.085   27.652  843.180   48.670  788.403   33.602  352.444   10.190  340.955   7.2725 11.48865 12.51927 
1 1 1    0    3   46 o  448.239   5.9601  1363.18   36.202  1373.92   51.358  1352.57   51.039  449.993   8.4221  446.484   8.4356 3.509460 11.92017 
1 1 1    0    3   47 o  416.658   5.7032  1177.39   32.194  1209.56   46.083  1146.72   44.996  422.216   8.0543  411.100   8.0768 11.11609 11.40638 
1 1 1    0    3   48 o  485.743   6.2943  1601.55   41.430  1586.51   58.227  1616.97   58.961  483.435   8.8881  488.052   8.9149 -4.616180 12.58863 
1 1 1    0    3   49 o  245.336   4.5652  408.242   15.177  404.673   21.345  411.892   21.585  244.252   6.4487  246.420   6.4637 -2.168137 9.130441 
1 1 1    0    3   50 o  446.469   6.0026  1350.52   36.276  1289.82   49.890  1418.61   52.842  435.852   8.4468  457.086   8.5310 -21.23410 12.00524 
1 1 1    0    3   51 o  182.574   6.2494  226.137   15.462  226.137   15.462   0.0000   0.0000  182.574   6.2494  ?   ?       ?      ? 
1 1 1    0    3   52 o  184.055   5.4189  232.167   12.823  237.075   15.897  223.026   21.694  186.926   6.2758  181.182   8.8358 5.743988 10.83773 
1 1 1    0    3   53 o  779.497   9.1527  4142.30   96.675  4192.46  137.698  4093.55  135.761  784.144   12.958  774.850   12.929 9.294189 18.30534 
1 1 1    0    3   54 o  501.960   6.4935  1712.93   44.169  1725.94   62.772  1700.17   62.160  503.846   9.1937  500.074   9.1726 3.771393 12.98692 
1 1 1    0    3   55 o  214.857   5.4790  309.172   15.127  327.422   26.242  300.089   18.513  219.456   8.8239  210.258   6.4974 9.198120 10.95802 
1 1 1    0    3   56 o  197.352   5.6014  268.671   14.039  276.646   17.233  252.936   24.207  201.877   6.2994  192.827   9.2639 9.050293 11.20280 
1 1 1    0    3   57 o  142.405   5.6531  138.678   10.228  135.406   17.796  140.291   12.498  141.064   9.3095  143.747   6.4159 -2.683090 11.30616 
1 1 1    0    3   58 o  240.274   4.6178  391.986   15.034  397.656   21.425  386.485   21.102  241.986   6.5336  238.563   6.5275 3.422546 9.235543 
1 1 1    0    3   59 o  157.618   4.5553  168.683   9.7287  172.221   13.873  165.259   13.647  159.244   6.4285  155.991   6.4559 3.253281 9.110666 
1 1 1    0    3   60 o  333.533   5.1747  756.149   23.388  754.235   32.987  758.083   33.165  333.110   7.3077  333.956   7.3285 -0.8456421 10.34932 
1 1 1    0    3   61 o  210.072   5.5209  294.703   14.859  316.756   26.017  284.027   18.102  215.677   8.9017  204.466   6.5331 11.21158 11.04180 
1 1 1    0    3   62 f  134.107   4.8155  122.510   8.7131  108.826   12.273  136.417   12.372  126.517   7.1583  141.697   6.4433 -15.17912 9.631076 
1 1 1    0    3   63 o  538.535   6.8782  1977.28   50.185  2024.05   71.853  1932.74   70.124  544.747   9.7335  532.323   9.7209 12.42407 13.75632 
1 1 1    0    3   64 o  254.463   4.7675  440.202   16.440  443.794   23.290  436.636   23.208  255.499   6.7267  253.427   6.7578 2.072571 9.535037 
1 1 1    0    3   65 o  110.478   5.1958   83.036   7.7775   81.027   10.940   85.088   11.059  109.124   7.3980  111.831   7.2976 -2.707741 10.39158 
1 1 1    0    3   66 o  142.809   6.1922  139.374   11.098  139.923   13.391  138.172   19.829  143.427   6.8899  142.191   10.291 1.236267 12.38434 
1 1 1    0    3   67 o  128.484   6.3054  118.764   10.134  131.685   12.590   94.976   17.082  139.146   6.6766  117.821   10.698 21.32428 12.61089 
1 1 1    0    3   68 o  242.476   4.8023  400.026   15.779  400.479   22.212  399.564   22.419  242.620   6.7560  242.332   6.8269 0.2877808 9.604643 
1 1 1    0    3   69 o  261.716   4.8590  466.140   17.232  471.417   24.532  460.999   24.211  263.177   6.8785  260.255   6.8649 2.922089 9.718075 
1 1 1    0    3   70 o  172.871   4.7466  202.946   11.099  221.409   16.092  186.197   15.327  180.367   6.5839  165.375   6.8392 14.99216 9.493263 
1 1 1    0    3   71 f  189.340   4.7572  244.115   12.204  244.962   17.434  243.301   17.089  189.654   6.7834  189.026   6.6715 0.6281281 9.514378 
1 1 1    0    3   72 o  314.177   6.3340  669.741   25.327  691.817   44.507  659.168   30.801  317.465   10.346  310.890   7.3109 6.574432 12.66804 
1 1 1    0    3   73 o  185.601   4.7921  234.756   12.047  238.237   17.341  231.509   16.749  186.918   6.8462  184.283   6.7070 2.634888 9.584104 
1 1 1    0    3   74 o   46.099   8.9978   14.957   5.9927   20.408   8.6096   9.8340   8.3465   53.260   12.192   38.939   13.236 14.32079 17.99560 
1 1 1    0    3   75 o   73.853   8.5807   38.911   7.7960   37.198   13.554   39.758   9.5304   71.654   14.457   76.052   9.2474 -4.397987 17.16143 
1 1 1    0    3   76 o  158.932   6.0024  175.721   12.116  166.877   20.909  180.193   14.866  155.489   9.9231  162.374   6.7562 -6.885864 12.00475 
1 1 1    0    3   77 o  187.134   4.8164  239.235   12.187  262.321   17.594  217.942   16.897  195.846   6.6294  178.421   6.9886 17.42555 9.632749 
1 1 1    0    3   78 o  169.113   4.8075  195.898   11.016  191.939   15.494  199.946   15.666  167.376   6.8309  170.849   6.7666 -3.472961 9.615000 
1 1 1    0    3   79 o  151.986   4.8924  158.446   10.073  152.859   14.080  164.304   14.417  149.230   6.9622  154.741   6.8754 -5.510513 9.784896 
1 1 1    0    3   80 o  234.314   6.1149  386.224   18.132  397.686   22.215  363.346   31.384  240.585   6.8138  228.044   10.156 12.54080 12.22971 
1 1 1    0    3   81 o   87.140   7.1173   51.307   8.0174   47.207   9.7940   59.634   13.959   82.402   8.7709   91.878   11.211 -9.476295 14.23451 
1 1 1    0    3   82 o   89.559   7.1730   56.367   8.1885   56.177   10.019   56.748   14.211   89.909   8.2229   89.209   11.756 0.7008286 14.34607 
1 1 1    0    3   83 f   32.828   7.8419   3.4422   5.3009  -7.8954   7.5020   14.748   7.4913   21.127   9.9796   44.530   12.099 -23.40300 15.68382 
1 1 1    0    3   84 o  147.600   4.9177  150.971   9.8353  151.319   14.021  150.634   13.800  147.745   7.0032  147.456   6.9060 0.2888947 9.835480 
1 1 1    0    3   85 o   51.516   8.0176   19.583   5.9240   32.369   8.5979   8.0272   8.1738   67.581   9.3883   35.450   12.999 32.13050 16.03512 
1 1 1    0    3   86 o   46.956   9.2468   18.190   6.7550   5.9943   11.413   24.765   8.3804   36.271   14.768   57.641   11.132 -21.36992 18.49366 
1 1 1    0    3   87 o   34.564   8.8424   7.9330   5.3271   7.3919   7.5315   8.4748   7.5358   33.886   12.470   35.241   12.540 -1.355438 17.68477 
1 1 1    0    3   88 o   29.303   8.7959   2.0882   5.8525   0.1759   10.232   3.0181   7.1348   30.191   13.195   28.414   11.635 1.777380 17.59175 
1 1 1    0    3   89 o   49.957   9.8567   20.604   6.9184   15.797   11.941   23.032   8.4883   45.085   15.810   54.828   11.776 -9.742615 19.71335 
1 1 1    0    3   90 o   35.254   9.7710   6.9459   6.4832   9.7319   11.221   5.5498   7.9432   38.656   14.990   31.852   12.537 6.803947 19.54198 
1 1 1    0    3   91 o   41.940   10.043   13.939   6.9488   9.0020   11.642   16.672   8.6609   38.102   15.120   45.779   13.221 -7.676258 20.08532 
1 1 1    0    3   92 o   81.006   12.909   50.683   14.171   50.683   14.171   0.0000   0.0000   81.006   12.909  ?   ?       ?      ? 
1 1 1    0    3   93 o   99.622   12.517   76.773   16.898   0.0000   0.0000   76.773   16.898  ?   ?    99.622   12.517      ?      ? 
1 1 1    0    3   94 o   25.875   12.266  -9.3771   11.525  -9.3771   11.525   0.0000   0.0000   25.875   12.266  ?   ?       ?      ? 
1 1 1    0    3   95 o   65.614   16.205   38.485   14.324   38.485   14.324   0.0000   0.0000   65.614   16.205  ?   ?       ?      ? 
1 1 1    0    3   96 f   31.589   14.118   1.1846   12.363   1.1846   12.363   0.0000   0.0000   31.589   14.118  ?   ?       ?      ? 
1 1 1    0    4    0 o  284.682   8.8642  549.261   34.197   0.0000   0.0000  549.261   34.197  ?   ?   284.682   8.8642      ?      ? 
1 1 1    0    4    1 o  491.065   7.5538  1628.00   47.291  1655.97   82.600  1614.36   57.679  494.131   12.335  488.000   8.7220 6.130890 15.10754 
1 1 1    0    4    2 f  1546.10   20.907 16179.19  410.527 16594.38  723.484 15982.03  498.562  1559.18   34.241  1533.02   23.999 26.15991 41.81389 
1 1 1    0    4    3 f  1259.61   17.170 10814.33  276.782 10720.30  476.537 10862.20  340.013  1254.68   28.027  1264.54   19.842 -9.861816 34.33978 
1 1 1    0    4    5 o  1115.17   12.479  8437.57  188.502  8221.21  262.051  8669.58  271.357  1100.38   17.574  1129.97   17.721 -29.58887 24.95737 
1 1 1    0    4    6 o  315.304   5.7466  681.455   23.211  697.798   28.684  650.458   39.504  320.866   6.5969  309.742   9.4114 11.12354 11.49323 
1 1 1    0    4    7 o  533.933   7.6074  1936.37   47.733  1939.54   55.180  1926.94   95.143  534.913   7.6123  532.952   13.174 1.961182 15.21481 
1 1 1    0    4    9 o  496.545   7.6739  1696.81   49.099  1756.12   61.250  1590.17   82.126  508.941   8.8809  484.150   12.517 24.79117 15.34789 
1 1 1    0    4   10 o  1073.88   14.768  7830.42  202.347  7807.63  247.367  7876.50  351.778  1072.17   17.025  1075.59   24.134 -3.423584 29.53528 
1 1 1    0    4   11 o   66.339   5.6353   29.827   5.0660   29.827   5.0660   0.0000   0.0000   66.339   5.6353  ?   ?       ?      ? 
1 1 1    0    4   12 o  668.852   11.170  3034.80  101.245  3034.80  101.245   0.0000   0.0000  668.852   11.170  ?   ?       ?      ? 
1 1 1    0    4   13 o  800.385   9.2397  4347.39  100.203  4288.94  140.335  4408.19  143.123  794.902   13.028  805.868   13.106 -10.96619 18.47932 
1 1 1    0    4   14 o  151.923   3.7641  156.388   7.7480  152.534   10.857  160.389   11.061  150.016   5.3405  153.830   5.3059 -3.814117 7.528200 
1 1 1    0    4   15 o  740.974   8.6240  3726.93   86.594  3744.87  122.771  3709.17  122.157  742.749   12.198  739.200   12.195 3.548767 17.24796 
1 1 1    0    4   16 o  661.628   7.8378  2970.52   70.268  3010.28  100.110  2931.92   98.653  665.990   11.092  657.265   11.076 8.724365 15.67557 
1 1 1    0    4   17 o  441.647   5.7562  1322.85   34.450  1317.90   48.580  1327.86   48.861  440.817   8.1324  442.478   8.1487 -1.660736 11.51244 
1 1 1    0    4   18 o  280.067   4.4587  531.621   16.919  520.166   23.693  543.542   24.170  276.989   6.3121  283.145   6.2991 -6.155975 8.917410 
1 1 1    0    4   19 o  177.162   3.8958  212.759   9.3526  211.946   13.164  213.587   13.290  176.821   5.4939  177.503   5.5249 -0.6826935 7.791513 
1 1 1    0    4   20 o  243.806   5.1755  406.004   16.199  393.924   27.567  412.376   20.021  240.982   8.4417  246.631   5.9903 -5.648529 10.35108 
1 1 1    0    4   21 f  145.054   4.6647  143.612   8.7081  139.593   14.750  145.763   10.789  143.470   7.5867  146.638   5.4294 -3.168350 9.329309 
1 1 1    0    4   22 o  838.906   9.6363  4781.73  109.549  4788.24  155.052  4775.25  154.799  839.475   13.630  838.337   13.626 1.138550 19.27264 
1 1 1    0    4   23 o  317.215   5.7700  676.633   23.391  665.318   28.540  699.781   40.822  313.257   6.7232  321.173   9.3793 -7.915344 11.54007 
1 1 1    0    4   24 o  148.060   5.4093  148.721   10.846  142.757   15.360  154.653   15.318  145.095   7.8117  151.024   7.4846 -5.929443 10.81861 
1 1 1    0    4   25 o  189.474   5.0816  246.260   12.198  235.231   21.223  251.701   14.907  186.248   8.4087  192.701   5.7084 -6.452988 10.16329 
1 1 1    0    4   26 o  803.265   13.119  4379.86  142.807   0.0000   0.0000  4379.86  142.807  ?   ?   803.265   13.119      ?      ? 
1 1 1    0    4   27 o  372.230   5.2158  939.262   26.309  933.859   37.053  944.756   37.362  371.151   7.3670  373.310   7.3854 -2.158661 10.43151 
1 1 1    0    4   28 o  522.185   6.5377  1848.45   46.256  1816.86   64.723  1881.43   66.131  517.628   9.2270  526.743   9.2645 -9.115601 13.07550 
1 1 1    0    4   29 o  567.137   6.9580  2181.10   53.474  2167.90   75.304  2194.52   75.948  565.407   9.8282  568.867   9.8520 -3.460388 13.91605 
1 1 1    0    4   30 o  294.832   4.6521  589.172   18.586  586.296   26.146  592.109   26.426  294.105   6.5602  295.559   6.5978 -1.453735 9.304109 
1 1 1    0    4   31 o  149.247   5.1142  150.640   9.5645  150.073   11.501  151.912   17.223  148.804   5.7034  149.689   8.4906 -0.8842468 10.22833 
1 1 1    0    4   32 o  605.545   9.0012  2472.44   69.203  2444.17   84.016  2532.09  122.042  600.336   10.327  610.754   14.746 -10.41772 18.00231 
1 1 1    0    4   33 o  1240.73   13.838 10464.55  232.663 10419.12  327.927 10510.59  330.155  1238.03   19.546  1243.44   19.593 -5.412964 27.67597 
1 1 1    0    4   34 o  470.044   7.4326  1499.83   44.706  1502.57   54.867  1494.41   77.112  470.760   8.6006  469.328   12.124 1.431641 14.86515 
1 1 1    0    4   35 o  778.184   9.0433  4109.35   95.365  4117.99  134.945  4100.74  134.789  779.001   12.783  777.367   12.795 1.634277 18.08658 
1 1 1    0    4   36 o  223.071   4.3209  337.186   13.060  329.645   18.299  345.015   18.644  220.529   6.1233  225.613   6.0982 -5.083130 8.641879 
1 1 1    0    4   37 o  649.502   7.7892  2860.44   68.539  2934.67   98.302  2790.23   95.612  657.696   11.029  641.308   11.002 16.38800 15.57841 
1 1 1    0    4   38 o  677.102   8.0576  3110.61   73.928  3079.13  103.814  3143.01  105.303  673.628   11.372  680.576   11.418 -6.948120 16.11511 
1 1 1    0    4   39 o  561.812   6.9532  2140.90   52.934  2118.63   74.371  2163.77   75.359  558.851   9.8202  564.772   9.8464 -5.920959 13.90643 
1 1 1    0    4   40 f  1071.51   14.842  7862.41  204.001  7705.54  348.445  7944.22  251.635  1062.32   24.204  1080.70   17.182 -18.38086 29.68310 
1 1 1    0    4   41 o  917.120   12.857  5706.81  150.293  5779.57  262.221  5671.22  183.408  920.756   21.015  913.485   14.816 7.271057 25.71320 
1 1 1    0    4   42 o  857.380   9.8778  4995.16  114.767  5007.90  162.510  4982.49  162.100  858.470   13.969  856.289   13.969 2.181152 19.75564 
1 1 1    0    4   43 o  489.933   7.7354  1629.77   48.478  1628.82   83.737  1630.25   59.454  489.669   12.619  490.196   8.9501 -0.5277710 15.47087 
1 1 1    0    4   44 o  161.496   4.4295  176.854   9.6890  184.284   13.760  169.548   13.645  164.862   6.1593  158.130   6.3675 6.732468 8.859008 
1 1 1    0    4   45 o  644.623   7.7682  2822.21   67.860  2823.17   95.921  2821.24   96.015  644.734   10.979  644.512   10.993 0.2213745 15.53648 
1 1 1    0    4   46 o  437.323   5.8836  1297.32   34.861  1329.72   49.836  1266.27   48.783  442.669   8.3077  431.976   8.3335 10.69321 11.76711 
1 1 1    0    4   47 o  1476.21   16.498 14957.54  330.040 15008.49  467.741 14907.02  465.759  1478.70   23.342  1473.71   23.322 4.990601 32.99659 
1 1 1    0    4   48 o  319.144   5.0056  690.839   21.645  678.406   30.308  703.782   30.923  316.214   7.0728  322.073   7.0851 -5.859009 10.01120 
1 1 1    0    4   49 o  190.408   5.4482  238.934   13.080  227.467   15.657  265.428   23.800  183.118   6.3095  197.697   8.8839 -14.57863 10.89647 
1 1 1    0    4   50 o  424.011   5.7836  1220.66   33.230  1212.00   46.704  1229.55   47.290  422.490   8.1575  425.532   8.2008 -3.042328 11.56711 
1 1 1    0    4   51 o  960.601   13.512  6290.53  164.924  6215.08  200.461  6448.57  290.137  953.786   15.509  967.416   22.131 -13.63007 27.02474 
1 1 1    0    4   52 o  102.640   5.8680   71.200   7.8291   70.291   9.7472   72.853   13.143  101.758   7.0685  103.523   9.3687 -1.764862 11.73607 
1 1 1    0    4   53 o  464.808   6.1492  1468.27   38.732  1479.54   54.925  1457.12   54.627  466.584   8.6868  463.032   8.7059 3.552124 12.29848 
1 1 1    0    4   54 o  163.308   4.4676  180.989   9.8792  171.428   13.861  190.862   14.085  158.920   6.4362  167.697   6.1978 -8.777176 8.935159 
1 1 1    0    4   55 o  288.696   4.8560  565.896   18.996  575.275   26.992  556.692   26.740  291.068   6.8432  286.324   6.8915 4.743988 9.711967 
1 1 1    0    4   56 o  516.383   6.6342  1814.55   46.424  1812.72   65.549  1816.39   65.757  516.125   9.3720  516.642   9.3923 -0.5172729 13.26833 
1 1 1    0    4   57 o  152.051   5.9020  164.135   11.265  137.587   19.175  178.129   13.921  142.132   9.9553  161.970   6.3425 -19.83835 11.80408 
1 1 1    0    4   58 o  227.135   5.8275  356.168   16.808  335.390   28.986  366.694   20.631  221.912   9.6389  232.358   6.5521 -10.44635 11.65497 
1 1 1    0    4   59 o  437.048   7.3062  1301.59   40.877  1304.77   70.517  1299.99   50.166  437.000   11.908  437.095   8.4693 -0.9527588E-01 14.61241 
1 1 1    0    4   60 o  350.472   7.5590  838.329   35.893  856.754   50.719  819.844   50.801  354.360   10.562  346.584   10.816 7.775604 15.11791 
1 1 1    0    4   61 o  585.563   7.3162  2339.48   58.053  2369.39   82.511  2310.15   81.694  589.275   10.333  581.851   10.361 7.423767 14.63248 
1 1 1    0    4   62 o  219.034   4.6619  326.002   13.836  333.276   19.689  318.905   19.446  221.451   6.5609  216.617   6.6247 4.833450 9.323723 
1 1 1    0    4   63 o  464.801   6.2315  1472.14   39.250  1472.32   55.475  1471.96   55.542  464.831   8.8068  464.772   8.8186 0.5926514E-01 12.46303 
1 1 1    0    4   64 o   68.342   8.9153   31.622   7.5174   29.952   9.0175   35.426   13.611   66.231   10.047   70.454   14.730 -4.222610 17.83053 
1 1 1    0    4   65 o  442.221   7.5180  1336.41   42.212  1335.12   51.403  1339.07   73.974  442.592   8.5703  441.850   12.354 0.7426453 15.03603 
1 1 1    0    4   66 o  127.753   5.0600  111.084   8.7565  114.930   12.400  107.259   12.367  129.967   7.0408  125.538   7.2693 4.429008 10.12007 
1 1 1    0    4   67 o  363.016   6.6154  890.293   30.621  872.196   37.262  927.935   53.740  357.849   7.6839  368.184   10.771 -10.33508 13.23086 
1 1 1    0    4   68 o   95.815   6.6474   57.613   8.2645   44.822   10.094   83.625   14.395   81.013   9.1944  110.617   9.6029 -29.60358 13.29482 
1 1 1    0    4   69 o  131.453   5.0481  117.677   8.9923  118.741   12.770  116.631   12.664  132.043   7.1368  130.864   7.1414 1.178589 10.09615 
1 1 1    0    4   70 o  269.177   4.9381  493.343   18.008  477.226   25.209  510.137   25.732  264.680   7.0284  273.674   6.9385 -8.993134 9.876262 
1 1 1    0    4   71 o  177.376   4.7829  214.218   11.486  227.335   16.444  201.720   16.051  182.693   6.6419  172.059   6.8840 10.63318 9.565804 
1 1 1    0    4   72 o   74.890   6.9726   38.864   7.0044   34.031   10.182   43.207   9.6506   70.344   10.682   79.436   8.9651 -9.091759 13.94517 
1 1 1    0    4   73 o   89.727   7.6390   56.129   8.5474   53.778   15.285   57.198   10.310   88.037   12.812   91.416   8.3225 -3.378975 15.27800 
1 1 1    0    4   74 o  263.970   6.0681  480.900   20.492  468.255   35.108  487.434   25.238  260.787   9.9344  267.154   6.9712 -6.366730 12.13628 
1 1 1    0    4   75 o  164.510   4.8570  184.977   10.816  174.006   15.198  196.236   15.397  159.533   7.0300  169.486   6.7037 -9.953186 9.713957 
1 1 1    0    4   76 o   95.201   6.0162   62.776   7.6622   51.222   10.802   74.475   10.870   86.193   9.2483  104.209   7.6973 -18.01585 12.03242 
1 1 1    0    4   77 o   70.347   7.0351   34.348   6.6944   32.354   9.5339   36.287   9.4022   68.273   10.305   72.422   9.5803 -4.148438 14.07018 
1 1 1    0    4   78 o   73.359   7.2771   37.862   6.8114   26.282   9.2473   51.596   10.071   60.274   11.744   86.443   8.5972 -26.16956 14.55418 
1 1 1    0    4   79 o   80.921   8.4645   48.278   8.2335   50.898   10.009   42.795   14.481   85.754   8.6128   76.089   14.574 9.664818 16.92903 
1 1 1    0    4   80 f  133.816   5.0760  123.383   9.2021  120.081   13.014  126.685   13.014  131.995   7.2757  135.637   7.0800 -3.641800 10.15195 
1 1 1    0    4   81 o  249.465   4.9522  429.211   16.740  431.338   23.580  427.049   23.770  250.117   6.9570  248.813   7.0498 1.304382 9.904477 
1 1 1    0    4   82 o  220.808   5.9437  343.081   16.785  350.260   20.727  329.406   28.607  225.265   6.7899  216.351   9.7573 8.914597 11.88735 
1 1 1    0    4   83 o  133.634   5.0504  123.819   9.1422  127.756   12.928  119.882   12.930  135.808   7.0248  131.460   7.2579 4.348358 10.10076 
1 1 1    0    4   84 o   43.769   8.7530   13.942   5.8106   21.249   8.3393   7.0474   8.1007   53.232   11.864   34.306   12.873 18.92605 17.50594 
1 1 1    0    4   85 f   35.473   8.9034   8.3072   5.4652   10.847   7.6691   5.6866   7.7904   38.624   12.679   32.322   12.503 6.301296 17.80675 
1 1 1    0    4   86 o   65.985   9.8170   31.209   8.7783   0.0000   0.0000   31.209   8.7783  ?   ?    65.985   9.8170      ?      ? 
1 1 1    0    4   87 o   46.527   12.552   16.719   8.0969   0.0000   0.0000   16.719   8.0969  ?   ?    46.527   12.552      ?      ? 
1 1 1    0    4   88 o   31.273   9.1189   3.8013   6.2569  -0.1533   10.466   6.0006   7.8052   30.197   13.267   32.349   12.514 -2.151693 18.23781 
1 1 1    0    4   89 o   30.316   9.2744  -0.5785   7.2866  -6.8971   10.122   6.2179   10.498   25.615   11.936   35.017   14.198 -9.402403 18.54873 
1 1 1    0    4   90 o   37.584   15.329   7.6824   12.323   0.0000   0.0000   7.6824   12.323  ?   ?    37.584   15.329      ?      ? 
1 1 1    0    4   91 o   47.882   11.553   19.008   8.9739   17.922   12.232   20.274   13.206   46.699   16.022   49.064   16.649 -2.365860 23.10658 
1 1 1    0    4   92 o   65.468   11.460   36.263   10.030   32.708   13.188   41.142   15.449   62.047   15.679   68.888   16.718 -6.841122 22.91975 
1 1 1    0    4   93 o   58.614   11.354   29.434   9.4258   22.170   12.637   38.543   14.151   50.322   16.261   66.906   15.851 -16.58306 22.70848 
1 1 1    0    4   94 o   38.182   15.205   10.215   11.812   10.215   11.812   0.0000   0.0000   38.182   15.205  ?   ?       ?      ? 
1 1 1    0    4   95 o   35.542   15.015   6.9166   12.428   6.9166   12.428   0.0000   0.0000   35.542   15.015  ?   ?       ?      ? 
1 1 1    0    4   96 o   93.710   13.078   72.240   16.608   72.240   16.608   0.0000   0.0000   93.710   13.078  ?   ?       ?      ? 
1 1 1    0    4   97 o   31.579   14.181   1.9411   12.636   1.9411   12.636   0.0000   0.0000   31.579   14.181  ?   ?       ?      ? 
1 1 1    0    5    1 o  1083.95   12.160  7980.78  178.605  8097.01  254.956  7868.78  250.280  1091.70   17.234  1076.21   17.161 15.48328 24.32087 
1 1 1    0    5    2 o  254.830   4.2760  439.825   14.760  424.548   20.574  456.028   21.188  250.273   6.0663  259.386   6.0278 -9.113388 8.551927 
1 1 1    0    5    3 o  265.003   4.3494  476.006   15.619  476.896   22.052  475.109   22.127  265.252   6.1348  264.754   6.1672 0.4977417 8.698886 
1 1 1    0    5    4 o  1124.00   12.600  8585.69  191.911  8506.21  269.755  8667.14  273.082  1118.74   17.793  1129.27   17.845 -10.52319 25.20008 
1 1 1    0    5    5 o  317.835   4.7264  684.692   20.355  697.171   28.955  672.498   28.622  320.699   6.6626  314.972   6.7057 5.726715 9.452858 
1 1 1    0    5    6 o  214.416   4.9537  308.641   13.516  303.046   16.418  320.408   23.810  211.448   5.7299  217.384   8.0824 -5.936066 9.907444 
1 1 1    0    5    7 o  241.677   4.8607  395.855   15.919  395.855   15.919   0.0000   0.0000  241.677   4.8607  ?   ?       ?      ? 
1 1 1    0    5    8 o  729.169   9.8209  3606.49   97.043  3606.49   97.043   0.0000   0.0000  729.169   9.8209  ?   ?       ?      ? 
1 1 1    0    5    9 o  852.069   11.314  4999.94  114.267  5071.89  133.139  4798.71  222.646  864.512   11.365  839.627   19.568 24.88489 22.62873 
1 1 1    0    5   10 o  245.074   5.2120  412.299   16.334  423.106   20.161  391.662   27.862  249.834   5.9551  240.314   8.5555 9.519684 10.42396 
1 1 1    0    5   11 o  585.809   7.1137  2328.15   56.469  2355.65   80.300  2301.24   79.427  589.231   10.057  582.386   10.064 6.844482 14.22736 
1 1 1    0    5   12 o  475.153   6.0639  1531.31   39.045  1527.35   55.095  1535.30   55.342  474.537   8.5676  475.770   8.5836 -1.232544 12.12778 
1 1 1    0    5   13 o  502.247   6.3221  1711.05   43.027  1696.58   60.506  1725.84   61.199  500.101   8.9281  504.392   8.9535 -4.291351 12.64418 
1 1 1    0    5   14 o  558.161   6.8448  2113.00   51.761  2163.09   74.137  2065.36   72.300  564.611   9.6896  551.711   9.6704 12.89984 13.68960 
1 1 1    0    5   15 o  641.339   7.6496  2791.99   66.482  2807.28   94.284  2776.86   93.758  643.085   10.819  639.592   10.817 3.493408 15.29923 
1 1 1    0    5   16 o  899.369   10.260  5498.85  125.045  5513.79  177.094  5483.99  176.587  900.588   14.511  898.151   14.509 2.436646 20.51991 
1 1 1    0    5   17 o  427.155   6.8836  1228.25   37.499  1267.27   65.672  1209.37   45.677  432.044   11.217  422.266   7.9824 9.778320 13.76719 
1 1 1    0    5   18 o  566.811   13.834  2183.28  106.260  2183.28  106.260   0.0000   0.0000  566.811   13.834  ?   ?       ?      ? 
1 1 1    0    5   19 f  154.727   5.4233  162.368   11.370  164.023   16.031  160.693   16.130  155.521   7.6064  153.932   7.7326 1.589005 10.84663 
1 1 1    0    5   20 o  792.253   11.227  4268.37  113.733  4265.88  196.555  4269.62  139.449  791.621   18.323  792.885   12.978 -1.264099 22.45340 
1 1 1    0    5   21 o  558.899   6.8673  2117.71   51.995  2062.47   72.417  2176.49   74.699  551.383   9.6918  566.417   9.7319 -15.03394 13.73468 
1 1 1    0    5   22 o  165.143   4.9660  187.717   10.434  176.544   17.928  193.440   12.831  161.352   8.1994  168.933   5.6049 -7.580795 9.932043 
1 1 1    0    5   23 o  576.208   8.6500  2268.95   63.939  2204.20  109.003  2302.92   78.947  569.741   14.118  582.674   9.9983 -12.93378 17.29999 
1 1 1    0    5   24 o  197.634   4.1212  264.479   11.031  252.355   15.350  277.426   15.863  192.954   5.8704  202.313   5.7859 -9.359131 8.242451 
1 1 1    0    5   25 f  592.214   7.2007  2378.03   57.780  2340.46   80.912  2417.12   82.539  587.443   10.164  596.984   10.203 -9.540405 14.40145 
1 1 1    0    5   26 o  404.453   5.5009  1108.95   30.149  1104.39   42.506  1113.57   42.771  403.617   7.7714  405.290   7.7875 -1.673584 11.00178 
1 1 1    0    5   27 o  113.702   4.2009   87.396   6.4627   81.074   8.9063   94.427   9.3924  109.370   6.0092  118.034   5.8720 -8.664375 8.401837 
1 1 1    0    5   28 o  648.114   7.7474  2847.70   68.027  2788.63   94.931  2910.05   97.532  641.210   10.925  655.017   10.988 -13.80725 15.49482 
1 1 1    0    5   29 o  465.954   7.4251  1464.03   43.925  1448.64   53.337  1496.46   77.435  462.244   8.5148  469.664   12.167 -7.420227 14.85011 
1 1 1    0    5   30 f  367.525   6.4098  900.160   29.732  874.050   35.758  958.649   53.519  359.082   7.3484  375.969   10.504 -16.88721 12.81964 
1 1 1    0    5   31 o  753.078   8.7962  3846.61   89.753  3918.79  128.278  3777.38  125.624  759.996   12.455  746.160   12.424 13.83588 17.59234 
1 1 1    0    5   32 o  982.655   11.135  6557.00  148.279  6559.31  209.658  6554.68  209.737  982.829   15.742  982.480   15.753 0.3488159 22.27022 
1 1 1    0    5   33 o  918.771   12.833  5729.07  150.510  5713.42  184.082  5760.62  261.415  917.346   14.808  920.196   20.964 -2.850464 25.66618 
1 1 1    0    5   34 o   81.531   5.7478   44.184   6.1506   41.727   7.6919   48.540   10.243   78.456   7.2348   84.606   8.9335 -6.150711 11.49564 
1 1 1    0    5   35 o  500.338   6.3784  1697.64   43.247  1704.62   61.219  1690.69   61.101  501.365   9.0106  499.312   9.0302 2.052795 12.75674 
1 1 1    0    5   36 o  834.248   9.6255  4724.76  108.810  4781.19  154.967  4669.89  152.818  839.158   13.627  829.337   13.598 9.820740 19.25092 
1 1 1    0    5   37 o  769.335   8.9714  4017.99   93.531  4004.15  131.922  4031.98  132.625  768.004   12.676  770.666   12.699 -2.661438 17.94277 
1 1 1    0    5   38 o  421.021   5.7072  1202.02   32.561  1196.34   45.913  1207.78   46.186  420.019   8.0665  422.022   8.0758 -2.002869 11.41436 
1 1 1    0    5   39 o  136.477   4.4845  126.273   8.2912  122.049   11.678  130.567   11.774  134.174   6.4225  138.779   6.2606 -4.605042 8.969056 
1 1 1    0    5   40 f  481.003   7.6482  1561.52   46.852  1595.81   82.087  1544.95   57.058  484.764   12.496  477.242   8.8226 7.522064 15.29646 
1 1 1    0    5   41 o  239.212   5.5123  380.324   16.776  410.409   29.821  366.393   20.292  245.958   8.9469  232.465   6.4415 13.49353 11.02452 
1 1 1    0    5   42 o  590.070   7.2458  2363.30   57.938  2351.70   81.646  2375.06   82.230  588.613   10.236  591.527   10.258 -2.914246 14.49150 
1 1 1    0    5   43 o  1168.91   13.143  9316.02  208.167  9211.91  292.100  9423.46  296.740  1162.29   18.545  1175.52   18.628 -13.23669 26.28553 
1 1 1    0    5   44 o  577.427   7.1375  2263.75   55.849  2284.74   79.317  2243.12   78.651  580.081   10.090  574.773   10.098 5.308533 14.27498 
1 1 1    0    5   45 o  315.391   4.9477  674.718   21.146  680.525   29.977  668.967   29.834  316.742   6.9839  314.040   7.0104 2.702667 9.895438 
1 1 1    0    5   46 o  278.319   4.7339  525.393   17.852  536.667   25.367  514.330   25.129  281.279   6.6551  275.359   6.7342 5.919434 9.467825 
1 1 1    0    5   47 o  286.026   5.9556  555.801   21.596  556.540   26.265  554.260   37.942  286.418   6.7670  285.634   9.8022 0.7835693 11.91117 
1 1 1    0    5   48 o  449.883   6.0012  1374.29   36.586  1369.21   51.555  1379.44   51.927  449.047   8.4722  450.719   8.5017 -1.671967 12.00234 
1 1 1    0    5   49 o  638.498   7.7391  2771.61   66.943  2710.02   93.319  2836.92   96.086  631.202   10.910  645.795   10.979 -14.59332 15.47814 
1 1 1    0    5   50 o   82.912   5.4342   46.738   6.0872   42.304   8.5653   51.263   8.6526   78.926   8.0083   86.898   7.3477 -7.971588 10.86836 
1 1 1    0    5   51 o  159.958   5.3216  175.546   10.946  179.666   13.581  167.910   18.491  162.721   6.1588  157.195   8.6803 5.525406 10.64325 
1 1 1    0    5   52 o  261.867   5.6161  461.184   18.876  451.658   23.117  480.244   32.700  257.953   6.6131  265.782   9.0790 -7.828217 11.23218 
1 1 1    0    5   53 o   57.419   7.1017   22.890   5.3840   20.736   7.6743   24.977   7.5553   54.234   10.821   60.603   9.1997 -6.368916 14.20333 
1 1 1    0    5   54 o  450.311   6.0348  1378.23   36.821  1407.38   52.585  1350.20   51.576  454.982   8.5287  445.641   8.5404 9.340576 12.06968 
1 1 1    0    5   55 o  290.619   4.8693  573.604   19.176  579.066   27.185  568.194   27.053  291.998   6.8702  289.240   6.9021 2.757233 9.738519 
1 1 1    0    5   56 o  328.256   5.1224  732.107   22.786  730.812   32.127  733.417   32.321  327.965   7.2287  328.546   7.2595 -0.5803528 10.24475 
1 1 1    0    5   57 o   99.291   7.4329   67.007   10.001   0.0000   0.0000   67.007   10.001  ?   ?    99.291   7.4329      ?      ? 
1 1 1    0    5   58 f  328.251   7.2752  732.364   32.362   0.0000   0.0000  732.364   32.362  ?   ?   328.251   7.2752      ?      ? 
1 1 1    0    5   59 o   99.788   5.2972   67.825   7.1492   63.512   10.172   72.036   10.050   96.634   7.7675  102.942   7.2046 -6.307549 10.59432 
1 1 1    0    5   60 o  257.958   4.7578  452.128   16.630  461.266   23.699  443.263   23.341  260.527   6.7128  255.389   6.7444 5.138184 9.515685 
1 1 1    0    5   61 o  208.190   4.5949  294.550   12.963  293.502   18.383  295.587   18.283  207.819   6.5274  208.561   6.4690 -0.7425232 9.189877 
1 1 1    0    5   62 o  187.452   4.6519  238.723   11.812  248.806   16.894  229.080   16.521  191.328   6.5159  183.576   6.6412 7.751923 9.303900 
1 1 1    0    5   63 o  109.388   7.5250   81.896   11.113   83.204   15.152   80.371   16.350  110.380   10.129  108.397   11.131 1.983444 15.04997 
1 1 1    0    5   64 o  189.760   6.7550  245.801   17.335  246.162   23.785  245.392   25.319  189.953   9.2400  189.566   9.8560 0.3866882 13.50994 
1 1 1    0    5   65 o  372.532   6.8741  947.862   32.534  947.963   39.647  947.653   56.923  373.076   7.8421  371.987   11.292 1.088562 13.74813 
1 1 1    0    5   66 o  106.678   5.5356   77.548   7.9799   70.082   11.165   85.344   11.409  101.406   8.1248  111.951   7.5207 -10.54468 11.07124 
1 1 1    0    5   67 o  451.094   6.1626  1388.50   37.671  1381.37   53.034  1395.76   53.518  449.931   8.6982  452.256   8.7323 -2.324799 12.32526 
1 1 1    0    5   68 o  115.567   6.2822   91.643   9.4331   92.772   11.815   89.657   15.666  116.687   7.4718  114.448   10.101 2.238617 12.56447 
1 1 1    0    5   69 o  108.826   5.3943   80.609   7.9477   85.367   11.502   76.261   10.994  111.897   7.5854  105.754   7.6718 6.143211 10.78861 
1 1 1    0    5   70 o  106.189   5.4987   76.883   7.9026   82.450   11.345   71.637   11.014  109.936   7.6155  102.443   7.9338 7.492409 10.99730 
1 1 1    0    5   71 o   74.101   6.8866   37.439   6.8378   45.871   10.081   30.255   9.3056   81.840   9.0899   66.361   10.348 15.47936 13.77324 
1 1 1    0    5   72 o  184.368   5.8361  230.818   13.782  238.036   23.904  227.223   16.868  186.225   9.4722  182.512   6.8203 3.713638 11.67216 
1 1 1    0    5   73 o  151.238   6.1154  151.786   11.725  171.189   21.161  143.189   14.085  157.706   9.9017  144.770   7.1797 12.93668 12.23080 
1 1 1    0    5   74 o   81.462   6.4105   45.781   7.0250   52.515   9.9995   39.218   9.8715   87.477   8.4354   75.447   9.6551 12.02976 12.82096 
1 1 1    0    5   75 o  364.006   5.5569  908.759   27.407  930.632   39.071  887.570   38.455  368.334   7.8276  359.677   7.8896 8.657684 11.11387 
1 1 1    0    5   76 o   79.487   6.4755   43.617   6.9748   44.024   9.9243   43.220   9.8044   79.851   9.1715   79.123   9.1441 0.7282104 12.95107 
1 1 1    0    5   77 o   83.909   7.7815   48.286   8.3164   46.634   10.088   51.790   14.691   82.111   9.0665   85.707   12.649 -3.596771 15.56291 
1 1 1    0    5   78 o   83.573   6.0811   48.329   6.8795   51.207   9.7815   45.512   9.6775   86.078   8.3856   81.068   8.8090 5.009300 12.16210 
1 1 1    0    5   79 o   90.479   5.8063   56.752   7.0965   51.478   10.011   62.080   10.061   86.160   8.5741   94.797   7.8318 -8.637016 11.61260 
1 1 1    0    5   80 o   36.986   9.1622   8.9890   5.6696   8.8965   7.9185   9.0863   8.1212   36.790   12.876   37.183   13.038 -0.3930283 18.32430 
1 1 1    0    5   81 o  101.010   5.6297   71.023   7.6838   76.642   10.825   65.316   10.909  105.157   7.5963   96.863   8.3108 8.293724 11.25931 
1 1 1    0    5   82 o  103.941   6.5790   74.255   8.8416   70.370   10.858   81.901   15.232  100.508   7.9722  107.374   10.468 -6.865845 13.15803 
1 1 1    0    5   83 o  171.268   4.9493  202.763   11.463  186.300   15.711  221.498   16.761  163.818   7.0773  178.718   6.9205 -14.89998 9.898570 
1 1 1    0    5   84 o   64.852   7.5743   30.700   6.4753   27.365   9.1414   34.059   9.1735   60.575   11.558   69.129   9.7926 -8.553631 15.14852 
1 1 1    0    5   85 o  148.029   6.9468  157.163   13.909  150.322   19.957  163.625   19.396  144.594   10.185  151.464   9.4496 -6.870880 13.89361 
1 1 1    0    5   86 o   45.456   13.008   15.979   8.4188   0.0000   0.0000   15.979   8.4188  ?   ?    45.456   13.008      ?      ? 
1 1 1    0    5   87 o  125.541   7.3631  110.711   12.526   0.0000   0.0000  110.711   12.526  ?   ?   125.541   7.3631      ?      ? 
1 1 1    0    5   88 o   56.670   9.5211   26.533   7.3467   18.643   12.065   31.183   9.2619   48.020   15.910   65.320   10.463 -17.29987 19.04224 
1 1 1    0    5   89 o   38.391   10.603   6.3703   8.5879  -2.8995   11.504   18.037   12.906   29.601   13.390   47.181   16.442 -17.57967 21.20502 
1 1 1    0    5   90 o  108.640   8.5327   86.850   12.360   69.390   16.148  111.549   19.206   95.408   12.490  121.872   11.629 -26.46450 17.06542 
1 1 1    0    5   91 o   51.433   10.853   19.231   9.2499   5.1011   12.140   38.789   14.282   35.127   14.840   67.739   15.842 -32.61200 21.70689 
1 1 1    0    5   92 o   41.722   10.803   10.609   8.8431  -0.5159   11.916   24.249   13.194   30.985   13.853   52.458   16.580 -21.47254 21.60594 
1 1 1    0    5   93 o   45.872   11.583   18.231   9.1088   19.145   12.315   17.127   13.535   46.871   16.077   44.873   16.679 1.997978 23.16541 
1 1 1    0    5   94 o  132.146   11.131  134.447   19.933  134.447   19.933   0.0000   0.0000  132.146   11.131  ?   ?       ?      ? 
1 1 1    0    5   95 o   31.817   14.321   0.7933   12.967   0.7933   12.967   0.0000   0.0000   31.817   14.321  ?   ?       ?      ? 
1 1 1    0    5   96 o   41.839   16.311   15.896   13.338   15.896   13.338   0.0000   0.0000   41.839   16.311  ?   ?       ?      ? 
1 1 1    0    5   97 o   45.141   16.665   20.716   13.467   20.716   13.467   0.0000   0.0000   45.141   16.665  ?   ?       ?      ? 
1 1 1    0    6    0 o  527.003   13.102  1884.15   93.567  1884.15   93.567   0.0000   0.0000  527.003   13.102  ?   ?       ?      ? 
1 1 1    0    6    1 o  137.855   5.4122  128.819   10.111  128.819   10.111   0.0000   0.0000  137.855   5.4122  ?   ?       ?      ? 
1 1 1    0    6    2 o  432.912   6.9786  1239.45   37.973  1188.91   45.395  1357.21   69.295  418.694   8.0008  447.131   11.436 -28.43637 13.95711 
1 1 1    0    6    3 o   49.155   6.5486   16.914   3.9790   17.276   4.8364   16.155   6.9999   50.476   7.0705   47.835   11.025 2.641712 13.09725 
1 1 1    0    6    4 o  203.727   4.0742  281.369   11.245  281.701   15.727  281.023   16.084  203.851   5.6933  203.603   5.8296 0.2478790 8.148443 
1 1 1    0    6    5 o  669.453   7.9422  3041.85   72.044  3003.36  101.022  3081.69  102.773  665.146   11.208  673.759   11.256 -8.612549 15.88442 
1 1 1    0    6    6 o  525.552   6.5547  1873.79   46.680  1859.74   65.635  1888.17   66.404  523.560   9.2509  527.544   9.2887 -3.984070 13.10950 
1 1 1    0    6    7 o  375.133   5.2314  954.167   26.592  943.555   37.298  965.137   37.923  373.013   7.3787  377.254   7.4179 -4.240082 10.46282 
1 1 1    0    6    8 o  623.226   8.6600  2647.37   63.510  2657.07   73.512  2618.82  126.108  625.850   8.6678  620.602   14.995 5.247681 17.31997 
1 1 1    0    6    9 f  126.859   4.7056  107.487   7.6864  104.072   9.4217  114.285   13.291  123.903   5.6113  129.814   7.5555 -5.911537 9.411287 
1 1 1    0    6   10 o  101.894   4.8390   69.769   6.3651   68.373   7.8452   72.457   10.889  100.427   5.7646  103.361   7.7737 -2.933670 9.677909 
1 1 1    0    6   11 o  620.212   9.1403  2612.02   72.377  2609.61   88.574  2616.87  125.558  620.055   10.541  620.369   14.935 -0.3140869 18.28056 
1 1 1    0    6   12 o  473.491   7.4288  1505.58   44.671  1476.48   54.147  1567.59   79.044  466.540   8.5645  480.441   12.141 -13.90115 14.85768 
1 1 1    0    6   13 o  705.000   10.157  3380.64   91.608  3371.38  158.099  3385.32  112.400  703.904   16.574  706.096   11.747 -2.191956 20.31484 
1 1 1    0    6   14 o  483.469   8.7126  1586.81   57.072  1557.95   79.792  1617.04   81.663  478.972   12.293  487.966   12.350 -8.994110 17.42520 
1 1 1    0    6   15 o   93.380   5.0234   60.271   6.0693   55.087   9.9881   63.306   7.6420   90.124   8.1783   96.636   5.8356 -6.512070 10.04682 
1 1 1    0    6   16 o  129.710   3.9766  114.022   6.9886  111.015   9.8086  117.122   9.9598  127.974   5.6559  131.447   5.5913 -3.473503 7.953145 
1 1 1    0    6   17 o  1157.16   12.960  9110.24  203.206  9004.28  285.070  9219.70  289.739  1150.33   18.287  1163.98   18.369 -13.65723 25.91967 
1 1 1    0    6   18 o  325.731   5.9871  721.868   24.907  712.480   43.024  726.600   30.546  324.086   9.7965  327.377   6.8854 -3.290924 11.97417 
1 1 1    0    6   19 o  745.927   10.684  3782.82  101.834  3769.77  176.142  3789.38  124.806  744.644   17.455  747.209   12.326 -2.564453 21.36859 
1 1 1    0    6   20 o  110.773   4.1414   83.188   6.2155   84.625   8.7623   81.732   8.8182  111.737   5.7868  109.810   5.9259 1.927666 8.282721 
1 1 1    0    6   21 f  182.490   4.0760  225.742   10.078  230.295   14.254  221.190   14.252  184.331   5.7062  180.649   5.8218 3.681961 8.151919 
1 1 1    0    6   22 o  275.144   4.5340  512.674   16.897  492.796   23.515  533.898   24.297  269.634   6.4355  280.654   6.3886 -11.02002 9.068025 
1 1 1    0    6   23 o  352.632   5.0926  842.799   24.334  831.846   34.150  854.097   34.683  350.305   7.1938  354.959   7.2103 -4.653778 10.18525 
1 1 1    0    6   24 o  463.852   6.0226  1458.53   37.854  1441.65   53.117  1475.96   53.960  461.126   8.5003  466.579   8.5342 -5.452942 12.04526 
1 1 1    0    6   25 o  486.791   6.2277  1606.65   41.082  1613.54   58.141  1599.78   58.056  487.834   8.7948  485.748   8.8197 2.085480 12.45537 
1 1 1    0    6   26 o  176.300   5.0879  202.592   11.281  190.149   13.438  232.289   20.760  167.497   5.9204  185.103   8.2762 -17.60609 10.17577 
1 1 1    0    6   27 o  436.668   7.1140  1283.39   39.429  1265.83   47.828  1320.63   69.659  432.105   8.1679  441.232   11.650 -9.127380 14.22808 
1 1 1    0    6   28 o  125.237   6.0227  106.304   10.221   0.0000   0.0000  106.304   10.221  ?   ?   125.237   6.0227      ?      ? 
1 1 1    0    6   29 o  182.885   4.2026  226.643   10.414  223.553   14.580  229.862   14.880  181.613   5.9242  184.158   5.9625 -2.544632 8.405169 
1 1 1    0    6   30 o  1006.99   11.395  6886.83  155.493  6894.32  219.951  6879.35  219.849  1007.54   16.109  1006.44   16.120 1.096008 22.78939 
1 1 1    0    6   31 o  782.033   11.121  4132.65  110.728  4093.15  134.854  4214.39  193.991  776.633   12.813  787.433   18.180 -10.80029 22.24147 
1 1 1    0    6   32 o  668.888   9.7459  3023.27   83.072  2996.48  101.272  3078.38  145.242  664.591   11.245  673.186   15.921 -8.594421 19.49178 
1 1 1    0    6   33 o  649.810   7.8108  2862.67   68.752  2790.79   95.588  2939.72   98.961  641.369   10.998  658.252   11.094 -16.88306 15.62151 
1 1 1    0    6   34 o  485.147   6.2578  1595.49   41.132  1561.07   57.446  1631.71   58.920  479.781   8.8356  490.514   8.8640 -10.73306 12.51552 
1 1 1    0    6   35 o  652.393   7.8225  2887.47   69.149  2935.13   98.670  2841.47   96.937  657.681   11.071  647.104   11.054 10.57709 15.64496 
1 1 1    0    6   36 f  344.593   5.1239  803.935   23.909  768.923   33.096  842.154   34.578  336.757   7.2524  352.429   7.2402 -15.67203 10.24781 
1 1 1    0    6   37 o  215.759   4.4033  315.592   12.874  318.890   18.220  312.304   18.194  216.885   6.1991  214.633   6.2552 2.252380 8.806619 
1 1 1    0    6   38 o  202.233   5.3755  274.098   13.833  286.711   24.413  268.134   16.787  205.592   8.7626  198.874   6.2290 6.717941 10.75103 
1 1 1    0    6   39 o  649.015   11.064  2859.49   97.306   0.0000   0.0000  2859.49   97.306  ?   ?   649.015   11.064      ?      ? 
1 1 1    0    6   40 o  381.648   6.6503  993.715   32.576  971.619   55.573  1005.28   40.208  378.305   10.840  384.991   7.7070 -6.685638 13.30065 
1 1 1    0    6   41 o  704.378   8.3526  3370.13   79.724  3342.63  112.120  3398.26  113.385  701.474   11.795  707.282   11.830 -5.808167 16.70513 
1 1 1    0    6   42 o  369.512   5.3352  926.207   26.715  927.603   37.796  924.813   37.767  369.790   7.5424  369.233   7.5479 0.5569153 10.67043 
1 1 1    0    6   43 o  444.542   5.9400  1341.06   35.783  1334.88   50.458  1347.32   50.753  443.512   8.3954  445.572   8.4054 -2.060547 11.88000 
1 1 1    0    6   44 o  355.473   6.4864  859.646   29.301  862.886   35.737  853.000   51.179  356.625   7.3948  354.322   10.659 2.302704 12.97282 
1 1 1    0    6   45 o  109.820   6.1219   81.078   8.3520   79.899   9.9502   83.889   15.366  108.525   6.7658  111.115   10.205 -2.589760 12.24386 
1 1 1    0    6   46 o  360.319   5.2874  880.987   25.816  895.619   36.753  866.739   36.269  363.272   7.4659  357.366   7.4892 5.906708 10.57490 
1 1 1    0    6   47 o  103.367   4.9022   72.485   6.8565   78.015   9.8088   67.200   9.5881  107.226   6.7504   99.509   7.1104 7.717453 9.804364 
1 1 1    0    6   48 o  113.444   4.7674   87.338   7.3020   97.605   10.476   77.635   10.184  119.936   6.4453  106.951   7.0265 12.98530 9.534872 
1 1 1    0    6   49 o  322.116   5.0355  704.326   21.980  711.714   31.189  697.036   30.981  323.795   7.1080  320.437   7.1345 3.358490 10.07102 
1 1 1    0    6   50 o  120.550   4.7111   98.648   7.6938   95.509   10.851  101.822   10.911  118.619   6.7503  122.482   6.5736 -3.863243 9.422227 
1 1 1    0    6   51 o   93.907   5.9901   58.017   7.3721   52.958   9.1555   67.345   12.432   88.298   7.6515   99.517   9.2184 -11.21863 11.98020 
1 1 1    0    6   52 f   81.524   6.4968   45.106   6.9501   44.817   8.7800   45.592   11.374   81.212   7.9779   81.835   10.256 -0.6231079 12.99355 
1 1 1    0    6   53 o  436.718   5.9339  1296.64   35.117  1292.59   49.591  1300.71   49.736  436.033   8.3927  437.402   8.3908 -1.368988 11.86772 
1 1 1    0    6   54 o  596.346   7.3811  2422.87   59.647  2402.58   83.923  2443.58   84.791  593.827   10.429  598.866   10.448 -5.039673 14.76228 
1 1 1    0    6   55 o   93.164   6.4202   57.686   7.7756   63.903   13.272   54.436   9.5947   96.847   10.113   89.481   7.9125 7.365303 12.84036 
1 1 1    0    6   56 f  317.479   6.1970  686.349   25.185  684.720   43.406  687.175   30.922  316.965   10.105  317.992   7.1759 -1.027374 12.39407 
1 1 1    0    6   57 o  206.207   5.7403  293.518   15.035  276.782   25.924  302.000   18.456  201.562   9.4911  210.852   6.4593 -9.290131 11.48058 
1 1 1    0    6   58 o  572.777   8.8216  2235.24   64.309  2273.78  112.587  2216.57   78.349  575.468   14.437  570.086   10.142 5.381836 17.64329 
1 1 1    0    6   59 o  189.096   4.6002  242.617   11.777  257.684   16.992  228.690   16.337  194.743   6.4389  183.449   6.5717 11.29332 9.200389 
1 1 1    0    6   60 o  242.181   4.7229  398.643   15.500  395.152   21.840  402.187   22.001  241.113   6.6841  243.250   6.6742 -2.137787 9.445720 
1 1 1    0    6   61 o  102.531   6.5835   68.709   8.5877   63.576   10.315   80.304   15.503   96.643   7.8761  108.419   10.552 -11.77559 13.16704 
1 1 1    0    6   62 o   56.184   8.1205   22.246   6.0683   18.366   8.7008   25.921   8.4678   50.762   12.684   61.606   10.143 -10.84329 16.24107 
1 1 1    0    6   63 o  299.253   5.0599  609.309   20.519  610.306   29.026  608.313   29.011  299.499   7.1518  299.008   7.1597 0.4909058 10.11976 
1 1 1    0    6   64 f  221.938   4.7449  334.926   14.265  348.599   20.352  321.722   20.000  226.399   6.6336  217.478   6.7863 8.921738 9.489901 
1 1 1    0    6   65 o  174.267   4.7791  206.484   11.260  187.868   15.693  226.242   16.166  166.153   6.9696  182.381   6.5410 -16.22833 9.558260 
1 1 1    0    6   66 o   89.775   6.0339   55.163   7.3110   49.831   10.392   60.389   10.288   85.432   8.9760   94.117   8.0663 -8.684494 12.06785 
1 1 1    0    6   67 o  213.425   5.7748  309.492   15.790  314.509   27.287  306.966   19.361  214.490   9.3878  212.361   6.7278 2.129013 11.54966 
1 1 1    0    6   68 o  144.801   9.7888  143.562   19.208  143.562   19.208   0.0000   0.0000  144.801   9.7888  ?   ?       ?      ? 
1 1 1    0    6   69 o   76.978   9.6114   51.106   8.5635   66.150   10.516   21.489   14.755   98.442   7.8828   55.514   17.532 42.92783 19.22277 
1 1 1    0    6   70 o   78.020   8.7706   46.811   8.0590   32.540   13.777   54.234   9.9363   66.970   15.489   89.069   8.2322 -22.09864 17.54111 
1 1 1    0    6   71 o   82.115   7.7595   46.023   8.1345   47.911   14.223   45.105   9.9162   83.123   12.627   81.107   9.0221 2.016151 15.51894 
1 1 1    0    6   72 o   52.239   8.9079   19.690   6.2363   20.962   8.9061   18.466   8.7352   53.907   12.444   50.571   12.750 3.335522 17.81577 
1 1 1    0    6   73 o  148.104   6.0436  148.954   11.383  155.386   20.073  145.906   13.820  150.111   9.8677  146.097   6.9807 4.013962 12.08723 
1 1 1    0    6   74 o  110.364   5.5184   83.542   8.2500   83.928   11.847   83.178   11.496  110.594   7.9045  110.134   7.7026 0.4606476 11.03682 
1 1 1    0    6   75 o   57.578   9.8809   26.045   7.6084   30.549   9.1499   15.952   13.697   66.370   10.173   48.786   16.942 17.58363 19.76186 
1 1 1    0    6   76 o   40.974   8.8099   10.602   5.9587   2.4079   8.2586   19.499   8.6059   30.300   12.475   51.648   12.443 -21.34837 17.61987 
1 1 1    0    6   77 o  204.256   4.7944  286.404   13.269  292.958   18.800  279.899   18.730  206.610   6.7145  201.902   6.8456 4.707886 9.588891 
1 1 1    0    6   78 o   43.425   9.0162   13.533   5.8769   18.439   8.2824   8.5573   8.3404   50.021   12.304   36.828   13.183 13.19315 18.03232 
1 1 1    0    6   79 o  191.856   4.8196  253.330   12.525  244.019   17.448  263.228   17.991  188.211   6.8411  195.502   6.7907 -7.290939 9.639245 
1 1 1    0    6   80 f   58.258   8.1653   24.890   6.2154   22.921   8.6019   27.041   8.9907   55.720   11.761   60.796   11.330 -5.076363 16.33058 
1 1 1    0    6   81 o   26.656   8.0159  -1.0092   5.3493  -6.2544   7.4091   4.7021   7.7313   21.866   10.196   31.446   12.371 -9.579870 16.03182 
1 1 1    0    6   82 o  101.413   7.0301   76.246   8.9990   84.052   11.281   62.590   14.922  109.847   7.5787   92.978   11.843 16.86835 14.06027 
1 1 1    0    6   83 o   77.576   12.339   44.120   12.971   0.0000   0.0000   44.120   12.971  ?   ?    77.576   12.339      ?      ? 
1 1 1    0    6   84 o   51.111   10.009   21.182   7.1496   16.201   12.324   23.709   8.7775   46.253   16.070   55.969   11.937 -9.715992 20.01869 
1 1 1    0    6   85 o   38.087   10.119   9.4243   6.7906   9.1333   12.001   9.5613   8.2359   39.166   15.412   37.008   13.116 2.158020 20.23719 
1 1 1    0    6   86 o   31.863   9.4182   2.2139   6.5208   7.9189   11.235  -0.6843   8.0076   37.341   14.842   26.386   11.598 10.95507 18.83642 
1 1 1    0    6   87 o   42.187   16.328   12.214   13.293   0.0000   0.0000   12.214   13.293  ?   ?    42.187   16.328      ?      ? 
1 1 1    0    6   88 o   36.174   10.501   4.8741   8.3954  -0.8238   11.096   12.502   12.839   30.353   13.483   41.994   16.102 -11.64080 21.00104 
1 1 1    0    6   89 o   46.087   10.830   13.384   8.7721   1.8226   11.323   30.736   13.872   32.231   13.986   59.942   16.539 -27.71045 21.65947 
1 1 1    0    6   90 o   77.577   10.150   48.400   10.398   49.192   14.151   47.472   15.330   79.590   13.121   75.563   15.491 4.027649 20.30082 
1 1 1    0    6   91 o   33.122   9.9210   0.7973   8.5964   11.551   11.582 -12.3911   12.827   39.787   15.284   26.457   12.653 13.33028 19.84206 
1 1 1    0    6   92 o   49.958   11.938   22.470   9.6465   24.192   13.141   20.457   14.206   51.956   16.560   47.961   17.201 3.995743 23.87680 
1 1 1    0    6   93 o   44.390   11.101   14.661   9.6362   29.160   13.628   0.1646   13.627   56.270   16.680   32.510   14.652 23.76026 22.20143 
1 1 1    0    6   94 o   35.800   10.683   6.1399   9.2494   13.716   13.086  -1.4248   13.076   40.798   16.081   30.803   14.067 9.995955 21.36513 
1 1 1    0    6   95 o   32.104   14.401   1.9453   12.992   1.9453   12.992   0.0000   0.0000   32.104   14.401  ?   ?       ?      ? 
1 1 1    0    6   96 o   66.383   17.615   44.961   16.108   44.961   16.108   0.0000   0.0000   66.383   17.615  ?   ?       ?      ? 
1 1 1    0    6   97 o   59.798   17.752   38.892   15.428   38.892   15.428   0.0000   0.0000   59.798   17.752  ?   ?       ?      ? 
1 1 1    0    7    1 f  524.211   6.5597  1864.01   46.594  1897.99   66.377  1831.01   65.422  528.920   9.2607  519.502   9.2929 9.418335 13.11938 
1 1 1    0    7    2 o  287.596   4.5887  560.680   17.881  554.765   25.048  566.827   25.535  286.050   6.4617  289.142   6.5169 -3.091370 9.177326 
1 1 1    0    7    3 o  260.471   4.4245  459.965   15.615  459.867   21.904  460.067   22.267  260.444   6.2063  260.499   6.3078 -0.5410767E-01 8.849083 
1 1 1    0    7    4 o  400.521   5.4667  1087.40   29.664  1065.53   41.395  1110.49   42.529  396.384   7.7063  404.658   7.7556 -8.274078 10.93332 
1 1 1    0    7    5 o  640.469   7.6739  2779.72   66.546  2675.73   91.831  2894.72   96.569  627.880   10.793  653.057   10.912 -25.17682 15.34778 
1 1 1    0    7    6 o  158.780   4.0245  171.010   8.6498  180.651   12.250  161.424   12.216  163.248   5.5373  154.312   5.8416 8.935577 8.048964 
1 1 1    0    7    7 o  441.630   8.2156  1322.76   49.168  1322.76   49.168   0.0000   0.0000  441.630   8.2156  ?   ?       ?      ? 
1 1 1    0    7    8 o  530.430   6.6326  1908.61   47.674  1925.66   67.584  1891.73   67.260  532.789   9.3606  528.071   9.3991 4.717834 13.26512 
1 1 1    0    7    9 o   99.928   4.7912   66.246   5.7403   64.651   6.6665   70.820   11.289   97.665   5.0371  102.190   8.1518 -4.525520 9.582449 
1 1 1    0    7   10 o  144.244   5.5861  140.982   10.914  137.553   15.162  144.669   15.723  142.426   7.8558  146.062   7.9438 -3.636154 11.17215 
1 1 1    0    7   11 o  486.664   7.6846  1636.99   48.257  1712.37   60.495  1505.09   80.022  502.473   8.8843  470.854   12.541 31.61832 15.36928 
1 1 1    0    7   12 o  295.193   5.3392  579.528   18.411  568.911   21.119  613.154   37.585  289.716   5.3791  300.671   9.2246 -10.95526 10.67836 
1 1 1    0    7   13 o  184.975   4.8347  239.087   10.495  246.729   12.222  217.634   20.478  190.801   4.7270  179.149   8.4352 11.65123 9.669441 
1 1 1    0    7   14 o  1176.86   16.161  9433.51  242.907  9427.95  297.431  9444.65  420.921  1177.43   18.641  1176.30   26.406 1.128174 32.32269 
1 1 1    0    7   15 o  162.324   8.1070  178.652   17.833   0.0000   0.0000  178.652   17.833  ?   ?   162.324   8.1070      ?      ? 
1 1 1    0    7   16 o  209.809   4.2088  298.392   11.965  301.336   16.864  295.409   16.980  210.852   5.9021  208.766   6.0018 2.085144 8.417675 
1 1 1    0    7   17 o  767.278   8.9286  3993.11   92.815  3916.34  129.579  4073.99  133.008  759.711   12.586  774.844   12.667 -15.13312 17.85714 
1 1 1    0    7   18 o  414.612   5.6156  1165.36   31.551  1176.32   44.775  1154.56   44.465  416.547   7.9321  412.677   7.9511 3.869934 11.23111 
1 1 1    0    7   19 o   67.842   5.3793   31.235   4.9188   27.149   6.8694   35.534   7.0465   63.282   8.0105   72.402   7.1819 -9.120148 10.75863 
1 1 1    0    7   20 o  874.772   10.030  5193.62  118.891  5166.01  167.462  5221.69  168.821  872.429   14.165  877.114   14.203 -4.684692 20.05910 
1 1 1    0    7   21 o  1338.68   14.878 12182.48  269.833 11945.01  376.496 12433.28  386.921  1325.30   20.964  1352.07   21.117 -26.77869 29.75586 
1 1 1    0    7   22 o  207.866   5.2562  286.142   13.801  274.968   16.575  311.401   24.921  201.418   6.0726  214.313   8.5810 -12.89563 10.51240 
1 1 1    0    7   23 f  334.422   6.1301  755.387   26.036  750.095   31.651  766.462   45.789  332.654   7.0212  336.190   10.051 -3.536804 12.26018 
1 1 1    0    7   24 o  141.669   4.2966  135.689   8.2381  127.788   11.335  144.533   11.993  137.310   6.0919  146.029   6.0607 -8.719604 8.593193 
1 1 1    0    7   25 o  1212.42   13.545  9989.68  222.518  9866.50  311.990 10117.21  317.457  1204.82   19.109  1220.02   19.202 -15.19299 27.08963 
1 1 1    0    7   26 o  769.804   8.9704  4020.89   93.577  4040.62  132.679  4001.36  132.001  771.683   12.688  767.925   12.685 3.758301 17.94082 
1 1 1    0    7   27 o  553.068   6.8676  2072.59   51.448  2012.42   71.488  2137.24   74.100  544.749   9.6840  561.386   9.7404 -16.63751 13.73517 
1 1 1    0    7   28 o  699.811   8.2738  3322.07   78.457  3368.97  111.821  3276.61  110.108  704.673   11.710  694.948   11.692 9.724731 16.54757 
1 1 1    0    7   29 o  835.863   11.827  4783.54  127.044  4864.60  157.258  4631.24  215.560  846.520   13.709  825.206   19.276 21.31433 23.65378 
1 1 1    0    7   30 o  674.561   9.8318  3072.21   84.425  3039.65  102.774  3139.77  148.045  669.328   11.331  679.794   16.071 -10.46552 19.66356 
1 1 1    0    7   31 o  508.669   7.9097  1752.93   51.413  1747.54   62.935  1763.76   89.143  507.613   9.1491  509.725   12.905 -2.112518 15.81943 
1 1 1    0    7   32 o  101.250   4.9112   69.552   6.7170   62.523   9.4115   76.849   9.5897   96.030   7.2321  106.470   6.6465 -10.44039 9.822414 
1 1 1    0    7   33 o  432.501   5.8186  1268.49   34.102  1278.74   48.374  1258.37   48.083  434.238   8.2205  430.764   8.2370 3.473907 11.63723 
1 1 1    0    7   34 o  207.776   4.4114  292.665   12.419  299.020   17.611  286.378   17.516  210.020   6.1879  205.531   6.2890 4.489380 8.822800 
1 1 1    0    7   35 o  470.585   7.5470  1477.98   44.930  1571.88   80.483  1435.46   54.154  481.137   12.344  460.033   8.6867 21.10416 15.09408 
1 1 1    0    7   36 o  125.468   5.8260  107.879   9.2281  103.698   16.190  109.892   11.231  123.625   9.6638  127.312   6.5099 -3.687225 11.65196 
1 1 1    0    7   37 o  570.319   7.0766  2206.04   54.675  2150.50   76.155  2265.12   78.544  562.918   9.9832  577.719   10.033 -14.80127 14.15329 
1 1 1    0    7   38 o  631.897   9.3753  2725.10   75.998  2678.45  129.939  2749.35   93.695  627.452   15.282  636.343   10.865 -8.890625 18.75068 
1 1 1    0    7   39 f  563.656   8.5976  2171.03   62.216  2119.96  106.023  2197.85   76.837  558.313   14.013  569.000   9.9649 -10.68787 17.19516 
1 1 1    0    7   40 o  496.904   6.4042  1675.76   43.122  1692.67   61.256  1659.14   60.716  499.391   9.0516  494.418   9.0621 4.973053 12.80831 
1 1 1    0    7   41 o   90.577   7.4996   55.660   9.2054   55.660   9.2054   0.0000   0.0000   90.577   7.4996  ?   ?       ?      ? 
1 1 1    0    7   42 o  181.705   5.5180  221.144   12.626  216.362   15.181  231.874   22.740  178.609   6.2722  184.802   9.0804 -6.193237 11.03604 
1 1 1    0    7   43 o  212.031   4.5011  304.915   12.932  302.611   18.133  307.299   18.447  211.218   6.3352  212.845   6.3956 -1.627777 9.002129 
1 1 1    0    7   44 o  167.895   4.4656  191.218   10.160  190.397   14.319  192.050   14.418  167.533   6.3069  168.258   6.3235 -0.7251129 8.931110 
1 1 1    0    7   45 o  304.152   4.9260  627.256   20.295  605.203   28.254  650.761   29.170  298.633   6.9818  309.671   6.9510 -11.03839 9.851995 
1 1 1    0    7   46 o  250.998   4.6333  427.497   15.760  426.889   22.249  428.110   22.326  250.820   6.5457  251.177   6.5592 -0.3576355 9.266632 
1 1 1    0    7   47 o  161.773   4.4661  177.573   9.7888  182.492   13.905  172.742   13.782  163.995   6.2570  159.550   6.3745 4.445343 8.932167 
1 1 1    0    7   48 o  149.017   4.5200  150.708   9.1271  148.936   12.905  152.482   12.910  148.139   6.4286  149.895   6.3556 -1.756104 9.039952 
1 1 1    0    7   49 o  307.450   4.9594  641.734   20.662  634.245   29.051  649.398   29.391  305.635   7.0143  309.265   7.0130 -3.629547 9.918759 
1 1 1    0    7   50 o  187.978   5.3632  238.623   13.041  235.361   16.135  244.766   22.145  186.206   6.3943  189.749   8.6122 -3.542801 10.72648 
1 1 1    0    7   51 o  373.560   6.6067  949.746   31.656  950.377   38.942  948.516   54.354  373.993   7.6838  373.127   10.750 0.8656616 13.21348 
1 1 1    0    7   52 o  349.237   5.2747  828.522   24.960  810.875   35.006  846.770   35.598  345.453   7.4778  353.022   7.4413 -7.568146 10.54939 
1 1 1    0    7   53 o  260.836   5.7958  461.475   19.312  466.134   33.530  459.162   23.624  261.664   9.4558  260.008   6.7046 1.657013 11.59161 
1 1 1    0    7   54 o  197.132   4.5562  263.889   12.163  250.997   17.071  277.183   17.335  192.235   6.5531  202.030   6.3318 -9.795334 9.112324 
1 1 1    0    7   55 o   70.715   6.4668   34.007   6.1806   37.574   8.9115   30.700   8.5793   74.294   8.8514   67.135   9.4302 7.159935 12.93354 
1 1 1    0    7   56 o  463.967   6.2086  1465.53   39.034  1479.87   55.483  1451.48   54.927  466.214   8.7819  461.721   8.7786 4.492889 12.41719 
1 1 1    0    7   57 o   95.704   7.1191   66.641   8.3482   51.917   14.479   73.973   10.217   87.102   12.267  104.307   7.2285 -17.20489 14.23821 
1 1 1    0    7   58 o   89.148   5.8208   54.101   7.0286   51.879   9.8870   56.372   9.9937   87.291   8.3582   91.005   8.1036 -3.714783 11.64163 
1 1 1    0    7   59 o  559.531   8.7577  2155.91   62.612  2178.52   76.948  2111.62  107.713  564.950   10.051  554.112   14.345 10.83875 17.51537 
1 1 1    0    7   60 o  122.780   5.0838  102.578   8.4560  100.157   12.003  104.963   11.914  121.334   7.3000  124.226   7.0775 -2.891884 10.16768 
1 1 1    0    7   61 o   62.383   7.6957   27.509   6.2574   22.152   9.0245   32.469   8.6840   55.778   12.272   68.987   9.2889 -13.20894 15.39142 
1 1 1    0    7   62 o  263.469   4.8701  472.158   17.387  476.407   24.732  468.006   24.450  264.639   6.8963  262.298   6.8785 2.340942 9.740282 
1 1 1    0    7   63 o   94.327   5.6139   60.519   7.1683   64.541   10.356   56.819   9.9328   97.337   7.8507   91.317   8.0267 6.019852 11.22772 
1 1 1    0    7   64 o   36.416   8.9968   7.7563   5.6789   3.6075   8.2575   11.479   7.8225   31.873   12.707   40.960   12.740 -9.087212 17.99353 
1 1 1    0    7   65 o  131.598   5.0016  117.934   8.9178  115.719   12.640  120.129   12.583  130.360   7.1553  132.836   6.9904 -2.476044 10.00318 
1 1 1    0    7   66 o  211.921   4.7346  305.697   13.596  308.767   19.351  302.705   19.107  212.970   6.7052  210.872   6.6863 2.098175 9.469211 
1 1 1    0    7   67 o  299.030   6.1441  610.335   23.648  608.734   29.184  613.395   40.357  298.856   7.2060  299.204   9.9534 -0.3477478 12.28813 
1 1 1    0    7   68 o  210.352   6.6098  303.110   18.834  301.064   26.957  305.061   26.326  209.625   9.4895  211.080   9.2037 -1.455826 13.21959 
1 1 1    0    7   69 o   46.988   9.5423   16.738   6.8385   5.4182   12.024   22.151   8.3142   38.268   15.308   55.709   11.397 -17.44015 19.08465 
1 1 1    0    7   70 o  212.580   4.7938  307.606   13.791  330.173   20.023  287.241   19.022  219.994   6.7166  205.167   6.8417 14.82703 9.587516 
1 1 1    0    7   71 o   36.781   9.5664   7.4030   6.6323  -1.8683   11.660   11.837   8.0639   32.233   14.086   41.329   12.948 -9.096714 19.13285 
1 1 1    0    7   72 o  110.723   7.8349   85.102   11.673   98.146   16.734   72.738   16.292  119.156   10.364  102.290   11.753 16.86605 15.66979 
1 1 1    0    7   73 o  116.180   7.8519   93.814   12.360   95.878   17.570   91.791   17.392  117.463   11.038  114.898   11.170 2.565018 15.70373 
1 1 1    0    7   74 o  177.929   5.9712  211.722   13.463  200.858   16.184  236.128   24.256  171.201   6.9759  184.658   9.6933 -13.45714 11.94247 
1 1 1    0    7   75 o   36.380   9.0628   8.0303   5.7285   4.3417   8.1719   11.594   8.0326   32.075   12.687   40.685   12.945 -8.610085 18.12564 
1 1 1    0    7   76 o   88.978   5.9351   54.749   7.1476   58.357   10.191   51.255   10.028   91.909   8.1820   86.048   8.5999 5.860855 11.87024 
1 1 1    0    7   77 o   28.064   8.2819   0.5958   5.4294   4.8231   7.7936  -3.3904   7.5680   31.932   12.462   24.197   10.911 7.734526 16.56387 
1 1 1    0    7   78 o   77.672   7.2917   40.859   7.4607   36.075   9.3187   49.400   12.451   71.778   9.5804   83.567   10.995 -11.78912 14.58344 
1 1 1    0    7   79 o   64.264   9.0854   35.403   7.5804   14.279   12.320   48.271   9.6161   45.340   16.044   83.189   8.5300 -37.84903 18.17088 
1 1 1    0    7   80 o   30.567   8.7224   3.6724   5.5822   4.4030   7.7931   2.9025   7.9997   31.187   12.372   29.948   12.298 1.238869 17.44475 
1 1 1    0    7   81 o   44.985   10.155   14.749   6.7007   16.519   11.630   13.870   8.1983   46.915   15.624   43.055   12.977 3.859665 20.31030 
1 1 1    0    7   82 o   68.818   9.6747   37.623   8.9393   17.861   12.652   57.322   12.632   48.273   16.297   89.364   10.431 -41.09047 19.34939 
1 1 1    0    7   83 o   58.963   9.8092   26.437   8.5500   43.053   12.442   11.569   11.769   76.514   11.999   41.413   15.521 35.10187 19.61850 
1 1 1    0    7   84 o  116.967   6.8480  101.563   10.124   87.380   16.985  109.378   12.608  109.068   11.492  124.866   7.4508 -15.79839 13.69597 
1 1 1    0    7   85 o   93.899   7.3282   63.505   8.8573   66.011   15.151   62.204   10.917   94.309   11.856   93.489   8.6171 0.8197327 14.65631 
1 1 1    0    7   86 o   76.915   10.005   45.083   10.103   36.660   13.176   57.100   15.738   67.469   14.817   86.361   13.447 -18.89264 20.00937 
1 1 1    0    7   87 o   33.455   14.788   0.4255   13.191   0.0000   0.0000   0.4255   13.191  ?   ?    33.455   14.788      ?      ? 
1 1 1    0    7   88 o   52.423   11.396   23.767   9.4109   30.429   12.365   14.592   14.509   60.660   15.101   44.186   17.071 16.47363 22.79128 
1 1 1    0    7   89 o   54.893   11.649   24.512   9.6366   15.492   12.555   37.443   15.034   44.113   16.121   65.673   16.819 -21.56026 23.29700 
1 1 1    0    7   90 o   42.024   11.332   12.031   9.1994   5.2245   12.196   21.016   14.013   35.022   14.839   49.026   17.130 -14.00396 22.66367 
1 1 1    0    7   91 o   46.133   11.894   18.238   9.5812   16.536   12.679   20.503   14.630   44.323   16.200   47.944   17.420 -3.621216 23.78812 
1 1 1    0    7   92 o   40.417   10.458   8.2281   9.2951   26.204   12.998 -10.5846   13.297   53.548   16.384   27.286   13.003 26.26224 20.91692 
1 1 1    0    7   93 o   31.671   10.076   0.6019   9.0786   1.9065   12.780  -0.7270   12.899   32.346   14.413   30.996   14.084 1.349817 20.15127 
1 1 1    0    7   94 o   29.156   9.5058  -2.6247   8.7405  -4.3369   12.399  -0.9333   12.323   28.350   13.210   29.961   13.672 -1.611080 19.01162 
1 1 1    0    7   95 o   23.309   11.485 -19.0178   12.905 -19.0178   12.905   0.0000   0.0000   23.309   11.485  ?   ?       ?      ? 
1 1 1    0    7   96 o   25.909   12.430  -8.8887   12.599  -8.8887   12.599   0.0000   0.0000   25.909   12.430  ?   ?       ?      ? 
1 1 1    0    8    0 o  631.316   10.748  2702.70   91.929  2654.85  128.437  2752.96  131.638  625.591   15.150  637.041   15.249 -11.44934 21.49529 
1 1 1    0    8    1 o  823.270   9.5101  4600.80  106.098  4617.75  150.225  4583.92  149.866  824.785   13.441  821.756   13.458 3.029236 19.02016 
1 1 1    0    8    2 o  310.097   4.8080  651.646   20.201  640.950   28.240  662.854   28.908  307.492   6.7771  312.702   6.8219 -5.209137 9.616041 
1 1 1    0    8    3 o  309.919   4.8142  650.935   20.215  642.263   28.267  660.013   28.921  307.808   6.7766  312.031   6.8397 -4.222992 9.628320 
1 1 1    0    8    4 o  264.427   5.5233  470.825   18.596  464.755   22.630  483.451   32.636  261.847   6.3775  267.008   9.0197 -5.160645 11.04656 
1 1 1    0    8    5 o   98.956   5.4008   66.248   7.0108   66.943   11.485   65.835   8.8514   99.362   8.5293   98.550   6.6278 0.8115616 10.80169 
1 1 1    0    8    6 o  179.839   4.2544  219.014   10.363  210.423   14.421  228.189   14.903  176.195   6.0396  183.483   5.9936 -7.287872 8.508819 
1 1 1    0    8    7 o  1526.61   16.901 15867.73  349.537 15539.45  487.027 16216.43  501.951  1510.37   23.795  1542.84   24.008 -32.47559 33.80224 
1 1 1    0    8    8 o  299.698   5.8762  606.299   22.516  617.018   39.110  600.985   27.538  301.640   9.5678  297.757   6.8247 3.882874 11.75242 
1 1 1    0    8    9 o  2141.61   29.064 31486.81  793.054 31753.49  1381.66 31355.78  968.480  2142.84   47.580  2140.38   33.390 2.467773 58.12730 
1 1 1    0    8   10 o  356.842   6.3778  865.787   29.164  870.759   35.881  856.106   50.064  358.399   7.3877  355.285   10.398 3.113495 12.75556 
1 1 1    0    8   11 o  696.021   9.5172  3284.86   77.672  3282.04   89.638  3293.34  155.602  695.701   9.5079  696.341   16.490 -0.6396484 19.03434 
1 1 1    0    8   12 o  256.433   5.1198  433.441   15.345  421.995   17.574  470.174   31.484  249.532   5.1971  263.333   8.8226 -13.80142 10.23956 
1 1 1    0    8   13 o  134.480   4.8907  123.148   7.7373  123.723   8.9560  121.455   15.364  135.115   4.8913  133.844   8.4705 1.270996 9.781368 
1 1 1    0    8   14 o  275.497   5.2515  503.118   16.906  492.452   19.382  537.046   34.569  269.559   5.3059  281.435   9.0642 -11.87604 10.50296 
1 1 1    0    8   15 o  683.673   9.3523  3123.18   74.219  3078.86   84.960  3265.97  152.493  673.844   9.3041  693.501   16.226 -19.65668 18.70451 
1 1 1    0    8   16 o  464.421   6.9751  1450.08   37.861  1438.04   43.542  1487.41   76.656  460.596   6.9760  468.246   12.081 -7.649689 13.95014 
1 1 1    0    8   17 o  477.459   7.0962  1519.10   39.414  1494.38   45.140  1598.38   80.853  469.530   7.0945  485.388   12.292 -15.85825 14.19249 
1 1 1    0    8   18 o  465.365   8.5646  1468.28   54.011  1468.28   54.011   0.0000   0.0000  465.365   8.5646  ?   ?       ?      ? 
1 1 1    0    8   19 o   96.905   5.7460   60.015   7.0129   54.486   8.3225   73.555   13.024   89.656   6.8500  104.154   9.2273 -14.49759 11.49200 
1 1 1    0    8   20 o  1011.34   16.177  6945.81  221.705  6945.81  221.705   0.0000   0.0000  1011.34   16.177  ?   ?       ?      ? 
1 1 1    0    8   21 o  273.028   4.6343  505.060   17.143  494.574   23.940  516.096   24.559  270.121   6.5400  275.935   6.5679 -5.814331 9.268683 
1 1 1    0    8   22 o  224.123   6.1887  340.468   18.796  340.468   18.796   0.0000   0.0000  224.123   6.1887  ?   ?       ?      ? 
1 1 1    0    8   23 o  902.604   10.323  5530.85  126.262  5562.58  179.107  5499.51  178.021  905.177   14.601  900.031   14.596 5.145569 20.64567 
1 1 1    0    8   24 o  1106.74   12.451  8321.65  186.702  8468.65  266.957  8180.90  261.210  1116.30   17.647  1097.18   17.568 19.11450 24.90117 
1 1 1    0    8   25 o  293.676   4.7904  584.208   19.057  566.256   26.539  603.321   27.383  289.021   6.7759  298.330   6.7733 -9.309174 9.580769 
1 1 1    0    8   26 o  913.478   12.787  5649.86  148.710  5605.05  181.182  5742.35  260.324  908.483   14.717  918.474   20.915 -9.990479 25.57418 
1 1 1    0    8   27 f  505.166   7.8992  1741.62   51.188  1763.45   63.160  1699.82   87.382  509.923   9.1401  500.410   12.886 9.513062 15.79834 
1 1 1    0    8   28 o  445.643   7.2445  1353.20   41.377  1365.74   50.960  1328.95   70.881  448.776   8.3796  442.511   11.820 6.264862 14.48905 
1 1 1    0    8   29 o  105.654   4.8331   75.677   6.9198   75.158   9.7580   76.203   9.8144  105.289   6.8390  106.019   6.8312 -0.7300644 9.666295 
1 1 1    0    8   30 o  133.284   4.5506  120.400   8.2137  114.439   11.513  126.579   11.721  129.924   6.5393  136.644   6.3300 -6.720322 9.101169 
1 1 1    0    8   31 o  342.764   5.1258  796.629   23.809  796.477   33.633  796.782   33.709  342.732   7.2416  342.797   7.2564 -0.6506348E-01 10.25165 
1 1 1    0    8   32 o  362.687   6.5395  901.679   30.356  863.585   51.799  921.606   37.464  356.716   10.716  368.657   7.4991 -11.94138 13.07901 
1 1 1    0    8   33 o  247.558   5.7437  421.131   18.122  399.286   31.101  432.359   22.298  242.589   9.4605  252.526   6.5159 -9.937088 11.48733 
1 1 1    0    8   34 o  657.318   7.9058  2932.70   70.412  2984.80  100.569  2882.60   98.616  663.042   11.193  651.594   11.168 11.44733 15.81169 
1 1 1    0    8   35 o  519.112   6.6215  1828.58   46.579  1846.33   66.153  1811.12   65.595  521.611   9.3589  516.612   9.3696 4.999390 13.24302 
1 1 1    0    8   36 o  179.654   5.3864  218.520   12.462  220.232   21.276  217.627   15.375  180.158   8.7148  179.149   6.3330 1.008255 10.77285 
1 1 1    0    8   37 o  316.971   6.0691  681.435   24.656  682.862   42.449  680.709   30.289  317.144   9.8770  316.799   7.0554 0.3455811 12.13813 
1 1 1    0    8   38 o   52.282   7.8275   19.279   5.5374   11.433   7.7752   27.355   7.8882   41.085   12.688   63.480   9.1698 -22.39454 15.65505 
1 1 1    0    8   39 o  422.851   7.1143  1206.86   38.192  1192.98   46.365  1236.17   67.356  419.268   8.1606  426.435   11.656 -7.166840 14.22855 
1 1 1    0    8   40 o  468.403   7.6119  1493.28   45.436  1497.52   55.557  1484.70   78.958  469.652   8.7292  467.154   12.473 2.498810 15.22380 
1 1 1    0    8   41 f  104.791   4.9641   74.502   7.0481   76.482   10.018   72.561   9.9182  106.171   6.9626  103.411   7.0775 2.760223 9.928218 
1 1 1    0    8   42 o  180.371   4.4545  220.686   10.887  216.128   15.323  225.332   15.470  178.489   6.3352  182.253   6.2639 -3.763657 8.909000 
1 1 1    0    8   43 o  282.770   4.7970  542.586   18.381  548.638   26.057  536.592   25.933  284.341   6.7625  281.199   6.8054 3.141510 9.593947 
1 1 1    0    8   44 o  176.249   4.4443  210.745   10.614  206.363   14.927  215.225   15.095  174.395   6.3160  178.102   6.2542 -3.707626 8.888589 
1 1 1    0    8   45 o   78.397   5.7914   41.787   6.1223   36.541   8.5510   47.304   8.7696   73.334   8.6046   83.460   7.7538 -10.12655 11.58280 
1 1 1    0    8   46 o   63.152   6.6548   27.165   5.6763   29.846   8.0561   24.522   7.9993   66.261   8.9718   60.042   9.8313 6.219349 13.30967 
1 1 1    0    8   47 o   45.715   8.2782   14.744   5.2869   19.549   7.4973   9.9915   7.4565   52.623   10.873   38.808   12.486 13.81493 16.55638 
1 1 1    0    8   48 o  112.675   4.8822   86.152   7.4311   95.788   10.687   77.131   10.340  118.781   6.6392  106.570   7.1598 12.21125 9.764358 
1 1 1    0    8   49 o  258.855   5.6407  446.481   18.706  429.127   22.773  482.474   32.796  251.392   6.6848  266.319   9.0875 -14.92679 11.28133 
1 1 1    0    8   50 o   55.858   10.019   22.093   7.5809   23.510   11.160   20.879   10.330   57.488   14.366   54.228   13.970 3.260330 20.03894 
1 1 1    0    8   51 f  501.267   7.9934  1709.36   51.119  1728.57   88.973  1699.90   62.457  502.792   13.058  499.742   9.2226 3.049774 15.98676 
1 1 1    0    8   52 o  419.077   5.8311  1194.34   33.112  1212.22   47.223  1177.04   46.442  422.161   8.2545  415.993   8.2384 6.167694 11.66226 
1 1 1    0    8   53 o  296.074   4.9806  595.657   19.982  600.929   28.450  590.524   28.072  297.365   7.0600  294.784   7.0273 2.581726 9.961260 
1 1 1    0    8   54 o  223.293   4.6873  338.764   14.183  339.067   20.162  338.466   19.955  223.389   6.6601  223.197   6.5975 0.1921387 9.374659 
1 1 1    0    8   55 o  147.516   4.7868  147.744   9.5624  155.696   13.746  140.287   13.311  151.363   6.7015  143.669   6.8369 7.693848 9.573614 
1 1 1    0    8   56 o  365.845   7.7977  914.195   38.649  901.399   53.930  927.706   55.416  363.234   10.956  368.457   11.099 -5.222443 15.59535 
1 1 1    0    8   57 o  237.551   6.7999  384.657   21.880  376.429   30.400  393.501   31.517  234.928   9.5490  240.173   9.6836 -5.245605 13.59982 
1 1 1    0    8   58 o  177.723   4.6960  214.731   11.297  201.420   15.855  228.458   16.100  172.114   6.7977  183.332   6.4807 -11.21776 9.391909 
1 1 1    0    8   59 o  212.780   4.6910  307.853   13.523  298.896   19.069  316.915   19.180  209.658   6.7118  215.903   6.5554 -6.244781 9.382038 
1 1 1    0    8   60 o  183.777   4.7350  229.469   11.787  238.751   16.961  220.800   16.391  187.369   6.6799  180.185   6.7128 7.184723 9.470090 
1 1 1    0    8   61 o  307.037   5.0833  641.542   21.149  632.580   29.769  650.676   30.052  304.869   7.2057  309.205   7.1720 -4.336426 10.16660 
1 1 1    0    8   62 o  135.622   4.9511  125.238   9.0949  122.526   12.972  127.860   12.755  134.165   7.1350  137.078   6.8662 -2.912643 9.902178 
1 1 1    0    8   63 o   96.658   5.7137   63.693   7.4836   64.318   10.656   63.084   10.512   97.125   8.0963   96.191   8.0643 0.9337387 11.42734 
1 1 1    0    8   64 o  262.973   4.9051  470.749   17.477  482.501   24.931  459.395   24.507  266.204   6.9111  259.742   6.9625 6.461761 9.810185 
1 1 1    0    8   65 o  145.026   4.9705  143.604   9.7403  131.676   13.820  155.378   13.730  138.993   7.3371  151.059   6.7074 -12.06572 9.940932 
1 1 1    0    8   66 o   99.674   6.8129   66.442   8.7599   73.324   15.195   63.015   10.721  103.301   10.854   96.048   8.2368 7.252525 13.62584 
1 1 1    0    8   67 o  182.296   5.7498  228.289   13.590  231.233   16.982  223.045   22.666  184.175   6.8041  180.418   9.2707 3.757248 11.49960 
1 1 1    0    8   68 o   28.517   8.6768  -2.3727   6.1703  -6.8095   8.0628   3.8986   9.5858   23.171   10.748   33.863   13.624 -10.69173 17.35355 
1 1 1    0    8   69 o  168.589   4.7941  193.928   10.950  199.690   15.654  188.408   15.323  171.045   6.7537  166.134   6.8060 4.911087 9.588231 
1 1 1    0    8   70 o   56.043   8.5676   22.626   6.3383   27.382   9.1175   18.178   8.8174   61.967   11.273   50.119   12.905 11.84808 17.13523 
1 1 1    0    8   71 o  145.407   6.1742  138.439   11.461  125.977   13.782  166.373   20.633  135.597   7.5005  155.218   9.8095 -19.62119 12.34840 
1 1 1    0    8   72 o  104.208   6.0697   75.938   8.3530   56.567   11.793   95.438   11.833   90.447   9.6217  117.968   7.4017 -27.52055 12.13934 
1 1 1    0    8   73 o  123.706   6.6125  109.388   10.232   96.308   17.745  115.903   12.524  117.432   11.151  129.980   7.1102 -12.54790 13.22498 
1 1 1    0    8   74 o   96.261   5.9018   64.086   7.6596   56.218   10.735   72.247   10.933   90.134   8.7886  102.388   7.8794 -12.25404 11.80354 
1 1 1    0    8   75 o   79.885   11.877   45.114   12.858   0.0000   0.0000   45.114   12.858  ?   ?    79.885   11.877      ?      ? 
1 1 1    0    8   76 o   53.067   11.552   21.127   9.1295   21.987   12.788   20.234   13.038   54.003   16.192   52.132   16.482 1.870720 23.10498 
1 1 1    0    8   77 o   36.496   10.161   6.3684   6.8764   5.8547   8.1932   7.5926   12.648   33.398   12.849   39.594   15.745 -6.195721 20.32219 
1 1 1    0    8   78 o   94.073   5.9542   61.776   7.5646   55.425   10.585   68.406   10.815   89.012   8.7749   99.135   8.0506 -10.12254 11.90841 
1 1 1    0    8   79 o  166.265   5.9789  190.477   12.792  203.447   22.113  183.954   15.682  169.664   9.6179  162.866   7.1053 6.797424 11.95785 
1 1 1    0    8   80 o   74.862   8.1463   39.556   7.9281   44.208   13.508   37.112   9.7922   77.551   12.853   72.173   10.012 5.377518 16.29267 
1 1 1    0    8   81 o   38.918   10.051   10.255   6.8199   8.1186   11.395   11.447   8.5128   38.117   15.012   39.718   13.368 -1.601498 20.10132 
1 1 1    0    8   82 o   39.215   9.7123   7.5134   7.6870  -6.2954   11.045   20.487   10.705   27.521   12.700   50.909   14.698 -23.38856 19.42464 
1 1 1    0    8   83 o  161.919   7.0292  188.929   15.419  195.325   22.099  182.863   21.522  164.622   9.9063  159.217   9.9751 5.404785 14.05835 
1 1 1    0    8   84 o   85.243   9.9668   55.563   11.150   46.146   14.856   67.711   16.873   76.019   14.954   94.467   13.181 -18.44795 19.93362 
1 1 1    0    8   85 o   36.528   10.087   5.0896   8.4184   15.907   11.035  -9.9714   13.021   44.932   15.220   28.123   13.242 16.80906 20.17428 
1 1 1    0    8   86 o   90.327   9.6357   60.688   11.170   44.270   14.336   86.052   17.819   74.013   14.811  106.641   12.330 -32.62877 19.27149 
1 1 1    0    8   87 o   60.219   17.795   32.124   15.531   0.0000   0.0000   32.124   15.531  ?   ?    60.219   17.795      ?      ? 
1 1 1    0    8   88 o   66.966   11.343   37.257   10.132   30.212   13.285   47.052   15.664   59.275   16.115   74.656   15.966 -15.38071 22.68522 
1 1 1    0    8   89 f  102.143   8.8489   79.611   12.089   64.447   16.101   99.205   18.303   90.529   13.124  113.758   11.873 -23.22907 17.69785 
1 1 1    0    8   90 o   50.001   11.718   20.618   9.7897   10.527   12.941   34.118   14.969   39.088   15.794   60.913   17.315 -21.82475 23.43658 
1 1 1    0    8   91 o   71.320   11.187   44.845   11.128   27.265   15.200   65.151   16.336   53.150   17.863   89.490   13.471 -36.34037 22.37326 
1 1 1    0    8   92 o   52.872   12.290   27.355   10.268   23.823   14.507   30.901   14.537   49.421   17.418   56.323   17.342 -6.902325 24.57930 
1 1 1    0    8   93 o   77.843   11.007   54.789   11.387   46.816   15.887   63.213   16.331   69.778   16.965   85.908   14.028 -16.13046 22.01364 
1 1 1    0    8   94 o   26.130   8.8107  -8.9596   8.7365 -14.3552   12.362  -3.5748   12.349   24.049   11.721   28.212   13.158 -4.162981 17.62142 
1 1 1    0    8   95 o   42.678   16.553   19.075   13.684   19.075   13.684   0.0000   0.0000   42.678   16.553  ?   ?       ?      ? 
1 1 1    0    9    1 o  719.489   12.037  3516.06  117.358  3512.06  165.887  3520.07  166.051  719.080   17.024  719.899   17.021 -0.8189697 24.07324 
1 1 1    0    9    2 o  835.648   11.821  4731.88  126.093  4774.57  219.233  4710.78  154.140  838.133   19.302  833.164   13.652 4.968262 23.64240 
1 1 1    0    9    3 o  590.459   8.8745  2378.70   67.290  2323.40  114.641  2407.77   83.113  585.066   14.459  595.852   10.293 -10.78552 17.74895 
1 1 1    0    9    4 o  244.283   4.4893  404.138   14.854  394.273   20.613  414.795   21.424  241.185   6.3068  247.381   6.3907 -6.196167 8.978695 
1 1 1    0    9    5 o  386.608   5.4323  1013.24   28.458  1013.57   39.993  1012.90   40.502  386.674   7.6324  386.543   7.7320 0.1306458 10.86451 
1 1 1    0    9    6 o   81.400   5.1614   44.709   5.6751   42.488   7.6607   47.411   8.4487   79.170   7.1404   83.630   7.4550 -4.459206 10.32289 
1 1 1    0    9    7 o  306.316   4.8431  635.832   20.093  665.283   28.668  607.393   28.171  313.288   6.7525  299.344   6.9446 13.94379 9.686272 
1 1 1    0    9    8 o  638.548   7.7009  2758.68   66.549  2631.90   91.300  2902.38   97.206  622.939   10.815  654.157   10.965 -31.21838 15.40176 
1 1 1    0    9    9 o  497.746   6.3857  1679.85   43.071  1693.71   60.936  1666.01   60.888  499.799   8.9969  495.693   9.0644 4.106323 12.77136 
1 1 1    0    9   10 f  172.283   4.3091  201.551   10.039  214.700   14.115  188.090   14.281  177.982   5.8523  166.584   6.3264 11.39856 8.618190 
1 1 1    0    9   11 o   61.166   7.8127   29.922   5.1143   33.315   5.8603   19.082   10.475   70.108   6.1683   52.224   14.356 17.88401 15.62535 
1 1 1    0    9   12 o  312.469   5.6798  668.888   20.833  676.026   24.126  647.957   41.312  315.825   5.6370  309.112   9.8624 6.712677 11.35969 
1 1 1    0    9   13 o  145.409   4.9678  143.294   9.7889  143.294   9.7889   0.0000   0.0000  145.409   4.9678  ?   ?       ?      ? 
1 1 1    0    9   14 o   79.655   6.1015   43.006   6.5862   43.006   6.5862   0.0000   0.0000   79.655   6.1015  ?   ?       ?      ? 
1 1 1    0    9   15 o  460.544   6.9905  1437.75   43.627  1437.75   43.627   0.0000   0.0000  460.544   6.9905  ?   ?       ?      ? 
1 1 1    0    9   16 f  608.635   8.5465  2471.38   60.324  2433.38   69.004  2594.55  124.235  599.081   8.4998  618.190   14.830 -19.10809 17.09307 
1 1 1    0    9   17 o  474.462   7.1172  1491.13   39.071  1459.62   44.585  1595.40   81.105  464.025   7.0903  484.898   12.343 -20.87289 14.23437 
1 1 1    0    9   18 o  261.866   5.4114  470.694   16.598  476.579   19.209  453.353   32.973  265.174   5.3456  258.558   9.4105 6.616669 10.82282 
1 1 1    0    9   19 f  851.104   11.339  4903.51  112.946  4886.71  130.147  4954.76  227.318  848.705   11.316  853.503   19.654 -4.798157 22.67876 
1 1 1    0    9   20 o  843.507   11.949  4863.24  129.308  4924.25  159.589  4746.63  220.636  851.661   13.828  835.352   19.491 16.30920 23.89746 
1 1 1    0    9   21 o  720.749   10.418  3528.92   95.902  3530.81  117.449  3525.15  166.123  721.317   12.015  720.181   17.022 1.136108 20.83537 
1 1 1    0    9   22 o  661.579   9.7104  2976.20   82.122  2985.04  100.720  2958.65  141.842  663.279   11.206  659.878   15.862 3.400024 19.42082 
1 1 1    0    9   23 o  1053.41   14.590  7528.14  195.705  7475.14  238.550  7637.24  342.262  1048.64   16.787  1058.19   23.868 -9.549194 29.18009 
1 1 1    0    9   24 o  403.012   5.5961  1101.29   30.562  1096.09   43.012  1106.59   43.432  402.053   7.8946  403.971   7.9337 -1.917847 11.19229 
1 1 1    0    9   25 f  177.619   4.3934  213.578   10.558  197.135   14.663  231.280   15.214  170.527   6.3454  184.710   6.0782 -14.18257 8.786845 
1 1 1    0    9   26 o  113.944   4.6736   88.014   7.2161   88.911   10.268   87.138   10.144  114.518   6.6164  113.371   6.6025 1.147079 9.347143 
1 1 1    0    9   27 o  397.123   5.5427  1069.41   29.827  1061.93   41.966  1077.04   42.401  395.720   7.8258  398.525   7.8513 -2.804443 11.08539 
1 1 1    0    9   28 o  197.544   4.4237  264.558   11.839  256.879   16.682  272.352   16.805  194.654   6.3242  200.433   6.1871 -5.779175 8.847315 
1 1 1    0    9   29 o  153.492   5.6329  157.515   10.929  166.043   19.570  153.650   13.175  156.443   9.2309  150.540   6.4584 5.902237 11.26589 
1 1 1    0    9   30 o  337.242   5.1442  770.901   23.504  791.885   33.656  750.924   32.838  341.720   7.2679  332.765   7.2821 8.955719 10.28841 
1 1 1    0    9   31 o  381.296   5.4492  986.093   28.156  991.294   39.859  980.913   39.778  382.301   7.6938  380.292   7.7187 2.008301 10.89834 
1 1 1    0    9   32 o  188.188   4.4630  240.131   11.380  245.896   16.144  234.438   16.043  190.434   6.2560  185.941   6.3669 4.492218 8.926091 
1 1 1    0    9   33 o  110.895   5.9154   85.815   8.4404   75.328   13.883   91.965   10.631  105.341   9.7255  116.450   6.7365 -11.10931 11.83074 
1 1 1    0    9   34 o  171.876   5.3333  200.723   11.851  199.336   19.991  201.475   14.716  171.386   8.6073  172.366   6.3001 -0.9797668 10.66660 
1 1 1    0    9   35 o  220.165   4.5394  328.585   13.537  314.260   18.936  343.559   19.359  215.258   6.4914  225.073   6.3471 -9.815552 9.078741 
1 1 1    0    9   36 o  583.319   8.8981  2340.71   66.695  2400.33   82.744  2230.14  112.688  594.422   10.272  572.217   14.532 22.20483 17.79619 
1 1 1    0    9   37 o  318.009   6.2079  682.471   25.066  674.869   30.435  698.498   44.191  315.384   7.1212  320.633   10.170 -5.248901 12.41574 
1 1 1    0    9   38 o  492.947   6.4037  1650.27   42.776  1664.39   60.698  1636.34   60.294  495.043   9.0479  490.851   9.0644 4.191315 12.80738 
1 1 1    0    9   39 o  250.399   4.6564  424.790   15.784  398.685   21.906  452.977   22.762  242.405   6.6685  258.392   6.5006 -15.98694 9.312721 
1 1 1    0    9   40 o  287.816   4.8360  562.112   18.861  553.485   26.569  570.877   26.778  285.588   6.8651  290.044   6.8130 -4.455536 9.671943 
1 1 1    0    9   41 o  130.332   4.7033  115.279   8.3062  114.734   11.799  115.814   11.695  130.025   6.6966  130.638   6.6060 -0.6132202 9.406539 
1 1 1    0    9   42 o  502.381   6.5002  1713.61   44.228  1779.69   63.804  1652.49   61.365  511.691   9.2014  493.070   9.1839 18.62146 13.00038 
1 1 1    0    9   43 o  458.905   6.1281  1431.18   38.109  1431.71   53.863  1430.64   53.926  458.993   8.6596  458.818   8.6731 0.1744080 12.25611 
1 1 1    0    9   44 o  284.823   4.8613  550.470   18.758  535.195   26.192  566.555   26.878  280.768   6.8841  288.878   6.8659 -8.110291 9.722696 
1 1 1    0    9   45 o  145.973   4.6266  144.581   9.1487  139.350   12.795  150.053   13.086  143.271   6.5902  148.676   6.4953 -5.404175 9.253099 
1 1 1    0    9   46 o  135.319   4.6654  124.328   8.5432  115.778   11.981  133.174   12.186  130.578   6.7705  140.060   6.4204 -9.482391 9.330717 
1 1 1    0    9   47 o  123.576   5.7800  101.560   9.1334  110.556   16.100   97.291   11.091  127.463   9.3207  119.690   6.8379 7.772789 11.55998 
1 1 1    0    9   48 o  285.919   6.8314  556.401   26.462  565.581   37.950  547.712   36.918  288.206   9.7168  283.633   9.6050 4.573456 13.66280 
1 1 1    0    9   49 o  279.172   5.8901  531.052   21.120  533.126   26.039  527.064   36.107  280.141   6.8591  278.203   9.5774 1.937988 11.78023 
1 1 1    0    9   50 o  272.382   4.8178  503.931   17.781  514.770   25.359  493.448   24.938  275.264   6.7982  269.500   6.8285 5.764221 9.635582 
1 1 1    0    9   51 o  136.605   4.7736  126.868   8.8293  120.941   12.495  132.779   12.478  133.408   6.9114  139.803   6.5865 -6.395462 9.547213 
1 1 1    0    9   52 o   89.447   5.6466   54.401   6.8401   55.239   9.8789   53.630   9.4800   90.103   8.0907   88.791   7.8787 1.312363 11.29311 
1 1 1    0    9   53 o  163.912   4.6902  182.588   10.414  175.823   14.669  189.461   14.786  160.844   6.7301  166.980   6.5344 -6.135986 9.380488 
1 1 1    0    9   54 o  143.837   5.9396  137.958   10.889  132.612   13.190  149.397   19.295  139.662   6.9692  148.011   9.6201 -8.348846 11.87922 
1 1 1    0    9   55 o   57.706   9.6940   20.877   7.0703   33.284   13.039   15.709   8.4149   68.305   14.533   47.107   12.833 21.19806 19.38795 
1 1 1    0    9   56 o  163.489   5.8435  184.240   12.082  175.837   21.072  188.356   14.747  160.520   9.6873  166.459   6.5376 -5.938568 11.68691 
1 1 1    0    9   57 o   76.489   6.4096   39.782   6.6337   42.604   9.6819   37.285   9.1074   79.039   9.0394   73.938   9.0895 5.100243 12.81913 
1 1 1    0    9   58 o  319.336   5.1889  693.938   22.453  702.344   31.992  685.778   31.520  321.240   7.3491  317.433   7.3274 3.806854 10.37788 
1 1 1    0    9   59 o  165.004   4.7753  185.272   10.673  179.877   15.136  190.607   15.053  162.603   6.8691  167.405   6.6355 -4.802032 9.550621 
1 1 1    0    9   60 o  246.451   4.8203  413.251   16.098  415.175   22.907  411.375   22.627  247.014   6.8432  245.889   6.7906 1.125137 9.640624 
1 1 1    0    9   61 o  221.910   4.7895  335.149   14.402  332.211   20.431  338.051   20.304  220.936   6.8242  222.884   6.7222 -1.947968 9.579005 
1 1 1    0    9   62 o  109.475   5.5519   81.796   8.2281   78.799   11.747   84.682   11.529  107.485   8.0648  111.464   7.6325 -3.978340 11.10384 
1 1 1    0    9   63 o   40.133   9.3460   10.244   6.2112   4.6638   9.0752   15.161   8.5191   34.023   13.398   46.243   13.034 -12.21936 18.69197 
1 1 1    0    9   64 o  152.236   6.0808  159.858   11.749  154.192   20.403  162.668   14.371  149.959   10.040  154.513   6.8634 -4.553925 12.16168 
1 1 1    0    9   65 o  127.432   5.2271  110.796   9.0258  111.996   12.859  109.631   12.672  128.110   7.4068  126.754   7.3775 1.356316 10.45411 
1 1 1    0    9   66 o   80.280   7.6069   44.590   7.9756   45.160   10.063   43.626   13.079   81.154   9.1506   79.406   12.154 1.748512 15.21377 
1 1 1    0    9   67 o  120.609   6.1818   97.476   9.7435   91.628   12.103  108.248   16.426  115.745   7.7162  125.473   9.6602 -9.727959 12.36363 
1 1 1    0    9   68 o   51.096   8.3232   17.944   6.3533   31.703   9.2432   5.6232   8.7471   67.804   10.060   34.387   13.263 33.41703 16.64645 
1 1 1    0    9   69 o  186.979   6.0798  240.213   14.332  240.093   17.349  240.471   25.431  187.393   6.8318  186.565   10.059 0.8283386 12.15957 
1 1 1    0    9   70 o   30.394   8.7106   1.2018   5.9883  -5.0748   8.5058   7.3700   8.4320   24.955   11.377   35.832   13.193 -10.87669 17.42117 
1 1 1    0    9   71 o   74.781   9.4877   40.645   9.2835   35.329   13.659   45.210   12.656   69.167   15.004   80.395   11.617 -11.22800 18.97547 
1 1 1    0    9   72 o  124.744   6.3332  106.734   10.167  110.768   17.472  104.670   12.502  126.115   10.224  123.374   7.4775 2.741058 12.66632 
1 1 1    0    9   73 o  131.065   5.1902  118.443   9.1761  104.692   12.881  132.611   13.075  123.221   7.7143  138.909   6.9458 -15.68813 10.38048 
1 1 1    0    9   74 o   86.932   6.1527   52.418   7.2410   49.279   10.067   55.784   10.423   84.209   8.8218   89.656   8.5790 -5.446724 12.30542 
1 1 1    0    9   75 o   95.913   5.8154   63.914   7.5530   66.168   10.629   61.614   10.735   97.677   8.0302   94.150   8.4138 3.527168 11.63079 
1 1 1    0    9   76 o   40.024   9.2571   10.964   5.9803   6.6769   8.3310   15.521   8.5899   34.389   13.021   45.659   13.161 -11.26955 18.51421 
1 1 1    0    9   77 o   73.664   8.6785   40.881   7.9263   35.974   13.218   43.637   9.9046   68.579   14.667   78.749   9.2813 -10.17015 17.35703 
1 1 1    0    9   78 o   29.476   8.6359   0.4052   6.3734 -12.8646   10.830   7.4354   7.8829   24.373   11.648   34.579   12.753 -10.20632 17.27189 
1 1 1    0    9   79 o  107.169   6.9383   82.688   9.4870   79.156   16.185   84.537   11.710  104.461   11.433  109.878   7.8641 -5.417816 13.87666 
1 1 1    0    9   80 o   51.201   11.585   20.897   9.0938   21.712   12.504   19.982   13.250   52.130   16.089   50.271   16.674 1.859154 23.17050 
1 1 1    0    9   81 o   43.979   10.720   10.243   8.6390  -1.0364   11.180   26.957   13.610   30.691   13.588   57.268   16.583 -26.57697 21.43911 
1 1 1    0    9   82 o   42.683   15.342   13.458   11.307   13.458   11.307   0.0000   0.0000   42.683   15.342  ?   ?       ?      ? 
1 1 1    0    9   83 o   32.638   10.044   1.4879   8.1872   3.1283   10.340  -1.2688   13.404   32.381   13.689   32.895   14.701 -0.5140686 20.08745 
1 1 1    0    9   84 o   47.221   11.453   16.257   8.9158   9.7933   11.389   26.490   14.329   38.819   15.089   55.623   17.233 -16.80346 22.90523 
1 1 1    0    9   85 o   62.448   11.430   32.705   9.6043   31.842   12.347   34.026   15.282   62.366   14.827   62.530   17.399 -0.1637268 22.85959 
1 1 1    0    9   86 o   62.453   11.680   32.194   10.076   23.969   13.051   44.328   15.852   52.835   16.459   72.072   16.576 -19.23722 23.35964 
1 1 1    0    9   87 o   57.854   17.425   30.015   14.785   0.0000   0.0000   30.015   14.785  ?   ?    57.854   17.425      ?      ? 
1 1 1    0    9   88 o   39.178   11.239   10.117   9.2431   9.3925   12.274   11.066   14.049   38.063   15.381   40.293   16.393 -2.230122 22.47869 
1 1 1    0    9   89 o   70.025   11.804   43.748   10.980   41.855   14.632   46.189   16.610   69.033   15.960   71.018   17.396 -1.985123 23.60860 
1 1 1    0    9   90 o   49.186   12.040   22.332   9.8801   17.335   13.437   28.214   14.578   44.222   16.582   54.150   17.462 -9.927391 24.08060 
1 1 1    0    9   91 o   36.185   10.420   3.9985   9.1379 -10.2529   12.511   20.297   13.379   26.122   12.494   46.248   16.681 -20.12560 20.84096 
1 1 1    0    9   92 o   33.310   10.196   2.3747   9.1746   13.835   12.902  -9.3465   13.048   39.867   15.887   26.753   12.786 13.11438 20.39290 
1 1 1    0    9   93 o   69.107   11.790   47.486   11.000   53.970   15.538   40.970   15.576   75.680   15.667   62.533   17.624 13.14708 23.58070 
1 1 1    0   10    0 o  774.554   12.806  4059.61  134.202  3867.78  183.612  4279.63  196.638  754.976   17.947  794.133   18.272 -39.15692 25.61170 
1 1 1    0   10    1 o  493.599   6.3806  1651.46   42.668  1627.04   59.517  1677.28   61.202  489.849   8.9660  497.349   9.0808 -7.499664 12.76122 
1 1 1    0   10    2 o  161.667   4.4062  177.555   9.6304  185.572   13.378  168.930   13.875  165.466   5.9661  157.868   6.4856 7.598206 8.812357 
1 1 1    0   10    3 o  963.983   10.979  6306.68  143.377  6169.74  199.558  6452.78  206.134  953.185   15.449  974.782   15.605 -21.59692 21.95889 
1 1 1    0   10    4 o  356.516   5.2522  860.219   25.352  826.716   34.973  897.323   36.805  349.214   7.3902  363.819   7.4651 -14.60504 10.50440 
1 1 1    0   10    5 o  118.764   5.6826   94.237   8.8104  100.715   14.789   90.673   10.970  121.873   8.9544  115.655   6.9991 6.218132 11.36527 
1 1 1    0   10    6 o  330.795   6.2875  749.762   26.460  765.199   32.448  719.122   45.715  335.974   7.1270  325.615   10.360 10.35974 12.57498 
1 1 1    0   10    7 o  849.670   12.046  4930.19  131.100  4982.90  161.441  4828.11  224.650  856.767   13.905  842.573   19.675 14.19336 24.09266 
1 1 1    0   10    8 o  244.961   5.7018  409.856   17.646  415.327   21.460  398.434   31.008  247.533   6.3976  242.390   9.4400 5.142868 11.40361 
1 1 1    0   10    9 o  439.881   7.2467  1284.28   40.049  1239.92   47.923  1387.01   72.926  427.636   8.2696  452.127   11.903 -24.49112 14.49341 
1 1 1    0   10   10 o  300.543   4.9058  612.492   19.971  633.767   28.251  591.239   28.236  305.764   6.8182  295.323   7.0555 10.44183 9.811647 
1 1 1    0   10   11 o  1031.16   14.310  7140.80  186.422  6980.63  224.768  7493.83  333.697  1013.62   16.364  1048.70   23.481 -35.07959 28.62039 
1 1 1    0   10   12 o  515.346   7.5811  1779.47   45.430  1758.89   52.079  1844.96   92.914  509.347   7.5452  521.344   13.152 -11.99637 15.16218 
1 1 1    0   10   13 o  382.401   6.2881  981.498   28.008  971.963   32.147  1011.54   57.061  378.667   6.2646  386.135   10.905 -7.468384 12.57623 
1 1 1    0   10   14 f  526.195   7.7374  1893.84   47.997  1909.88   55.674  1847.41   94.723  530.742   7.7408  521.647   13.400 9.095520 15.47489 
1 1 1    0   10   15 o  587.003   8.3506  2321.20   57.190  2304.79   65.738  2372.25  115.976  583.002   8.3208  591.003   14.481 -8.001526 16.70123 
1 1 1    0   10   16 o  320.654   5.8054  702.490   21.892  707.925   25.356  686.578   43.388  323.171   5.7898  318.136   10.064 5.035034 11.61077 
1 1 1    0   10   17 o  217.318   5.1699  319.255   13.240  318.288   15.310  322.122   26.371  216.702   5.2135  217.934   8.9293 -1.232361 10.33987 
1 1 1    0   10   18 o  657.905   9.1494  2939.08   70.643  2939.29   81.583  2938.46  141.224  658.293   9.1453  657.517   15.850 0.7760620 18.29884 
1 1 1    0   10   19 o  738.091   10.036  3662.34   86.244  3626.21   98.976  3776.28  175.779  731.091   9.9903  745.091   17.409 -14.00012 20.07191 
1 1 1    0   10   20 o  262.247   5.3929  464.443   16.670  462.498   19.272  470.222   33.220  261.211   5.4444  263.283   9.3108 -2.071838 10.78575 
1 1 1    0   10   21 o  636.192   8.9385  2778.77   67.261  2811.50   78.224  2685.92  131.742  643.804   8.9661  628.579   15.466 15.22577 17.87709 
1 1 1    0   10   22 o  228.544   5.3141  358.737   14.385  363.692   16.750  344.810   28.082  231.635   5.3362  225.453   9.1916 6.181671 10.62825 
1 1 1    0   10   23 o  741.443   10.094  3731.19   87.748  3726.51  101.263  3745.28  175.812  741.061   10.084  741.826   17.489 -0.7647705 20.18767 
1 1 1    0   10   24 o  280.421   5.9128  533.550   21.512  533.964   26.805  532.801   36.058  280.617   7.0488  280.225   9.4953 0.3921509 11.82566 
1 1 1    0   10   25 f  483.084   7.7862  1606.17   48.341  1513.66   81.419  1656.54   60.076  472.035   12.728  494.133   8.9717 -22.09775 15.57245 
1 1 1    0   10   26 o  482.471   7.7185  1570.16   47.364  1610.02   83.262  1551.09   57.590  486.805   12.622  478.137   8.8882 8.667908 15.43706 
1 1 1    0   10   27 o  451.216   6.0170  1381.03   36.788  1361.70   51.582  1401.04   52.482  448.004   8.4964  454.428   8.5223 -6.424011 12.03407 
1 1 1    0   10   28 f  374.746   6.5552  950.755   31.512  960.360   54.264  945.868   38.707  376.072   10.648  373.419   7.6491 2.653107 13.11041 
1 1 1    0   10   29 o  316.588   6.0546  683.018   24.677  670.784   41.881  689.524   30.542  314.332   9.8320  318.844   7.0686 -4.511383 12.10923 
1 1 1    0   10   30 o  111.881   5.7141   84.816   8.3005   85.347   13.916   84.523   10.342  112.130   9.1581  111.633   6.8362 0.4976883 11.42821 
1 1 1    0   10   31 o  259.246   4.6722  455.787   16.413  461.622   23.369  450.107   23.057  260.884   6.6101  257.609   6.6048 3.274261 9.344304 
1 1 1    0   10   32 o  187.589   5.4906  236.163   13.085  231.406   15.862  246.291   23.147  184.712   6.3371  190.465   8.9681 -5.753052 10.98116 
1 1 1    0   10   33 f  404.350   6.9848  1120.73   36.078  1141.63   44.401  1080.13   61.896  410.127   7.9890  398.572   11.460 11.55499 13.96956 
1 1 1    0   10   34 o   46.427   8.4194   15.252   5.3777   12.193   7.6617   18.222   7.5500   42.077   12.514   50.778   11.267 -8.701241 16.83875 
1 1 1    0   10   35 o  444.872   5.9889  1343.89   36.105  1345.85   51.011  1341.92   51.109  445.199   8.4552  444.546   8.4840 0.6533508 11.97785 
1 1 1    0   10   36 o  148.163   4.6043  148.927   9.2425  153.343   13.145  144.609   12.998  150.337   6.4522  145.989   6.5702 4.347458 9.208617 
1 1 1    0   10   37 o  287.661   4.8518  561.236   18.907  541.754   26.394  581.769   27.096  282.535   6.8936  292.788   6.8293 -10.25281 9.703681 
1 1 1    0   10   38 o  572.178   7.1370  2226.11   55.335  2198.26   77.657  2254.85   78.866  568.545   10.079  575.811   10.107 -7.265930 14.27407 
1 1 1    0   10   39 o  224.075   4.5998  340.745   13.967  337.769   19.693  343.757   19.813  223.090   6.5139  225.060   6.4962 -1.969925 9.199541 
1 1 1    0   10   40 o  273.305   4.8111  507.011   17.817  497.935   25.075  516.266   25.321  270.832   6.8321  275.777   6.7756 -4.944672 9.622199 
1 1 1    0   10   41 o  316.721   5.0552  680.753   21.690  705.509   31.076  657.239   30.286  322.335   7.1144  311.106   7.1838 11.22897 10.11048 
1 1 1    0   10   42 o  323.613   5.1034  711.243   22.380  712.398   31.661  710.090   31.640  323.876   7.2138  323.350   7.2208 0.5259094 10.20683 
1 1 1    0   10   43 o  128.039   4.8495  111.254   8.4072  117.955   12.047  104.891   11.738  131.800   6.7447  124.278   6.9700 7.522079 9.699070 
1 1 1    0   10   44 o  465.768   7.6139  1465.24   45.040  1515.98   79.536  1441.29   54.647  471.200   12.456  460.336   8.7600 10.86435 15.22782 
1 1 1    0   10   45 o  150.682   5.7741  154.172   11.045  154.962   19.389  153.792   13.439  150.876   9.4832  150.487   6.5901 0.3891449 11.54814 
1 1 1    0   10   46 o  146.902   5.5972  145.428   10.681  142.289   13.259  151.227   18.025  144.733   6.7603  149.071   8.9225 -4.338211 11.19434 
1 1 1    0   10   47 o  126.434   6.0023  113.478   9.7033  126.179   12.307   92.613   15.775  136.290   6.6636  116.579   9.9853 19.71091 12.00456 
1 1 1    0   10   48 f   83.212   5.8546   46.984   6.5736   53.404   9.5519   41.208   9.0605   88.611   7.9546   77.813   8.5925 10.79768 11.70929 
1 1 1    0   10   49 o  150.726   4.6996  154.443   9.5853  144.140   13.496  164.930   13.616  145.639   6.8383  155.814   6.4486 -10.17511 9.399298 
1 1 1    0   10   50 o  173.696   4.6393  205.039   10.916  198.491   15.418  211.620   15.458  170.908   6.6570  176.484   6.4636 -5.576477 9.278696 
1 1 1    0   10   51 o  120.692   6.1999   97.461   9.5261   94.251   11.540  104.327   16.876  117.730   7.2335  123.655   10.071 -5.925598 12.39976 
1 1 1    0   10   52 o  109.599   5.2522   81.959   7.7767   76.405   11.165   87.192   10.838  105.961   7.7754  113.237   7.0631 -7.275902 10.50448 
1 1 1    0   10   53 f  246.316   4.8224  411.964   16.085  427.978   23.287  397.353   22.244  250.884   6.8496  241.749   6.7900 9.135666 9.644709 
1 1 1    0   10   54 f  196.121   5.7790  262.020   14.420  261.824   25.164  262.116   17.596  195.891   9.4794  196.350   6.6129 -0.4594116 11.55807 
1 1 1    0   10   55 f  207.019   4.7946  291.348   13.424  266.976   18.742  317.025   19.237  198.109   6.9811  215.929   6.5741 -17.82033 9.589253 
1 1 1    0   10   56 o  212.749   4.7853  307.772   13.794  312.546   19.740  303.217   19.283  214.357   6.7954  211.140   6.7394 3.216873 9.570666 
1 1 1    0   10   57 o  130.442   5.1398  115.896   9.0755  114.102   13.086  117.559   12.597  129.453   7.4598  131.432   7.0727 -1.978714 10.27966 
1 1 1    0   10   58 o  202.470   4.7999  278.516   13.159  289.753   19.085  268.333   18.168  206.352   6.8250  198.588   6.7509 7.764465 9.599756 
1 1 1    0   10   59 o  115.699   5.4180   91.586   8.4601   84.470   12.179   98.223   11.761  111.301   8.0744  120.096   7.2266 -8.795006 10.83606 
1 1 1    0   10   60 o  103.186   5.6794   72.492   7.9317   75.237   11.573   70.061   10.892  105.016   8.1326  101.356   7.9300 3.659737 11.35884 
1 1 1    0   10   61 o  200.546   5.9323  278.223   15.149  263.920   26.025  285.552   18.630  196.316   9.7825  204.776   6.7135 -8.459351 11.86458 
1 1 1    0   10   62 o  304.877   6.3663  642.023   24.818  617.178   42.428  654.945   30.599  299.841   10.442  309.913   7.2860 -10.07187 12.73265 
1 1 1    0   10   63 o   51.964   9.0391   19.708   6.5513   12.021   9.4683   26.768   9.0741   42.518   14.095   61.410   11.321 -18.89184 18.07823 
1 1 1    0   10   64 o  137.570   5.1132  129.563   9.4807  113.560   13.350  145.846   13.466  128.916   7.6418  146.225   6.7958 -17.30949 10.22645 
1 1 1    0   10   65 o   89.518   6.3023   54.987   7.6450   54.740   10.835   55.232   10.789   89.313   8.9521   89.723   8.8733 -0.4100113 12.60457 
1 1 1    0   10   66 o   98.463   8.4513   66.517   11.277   66.517   11.277   0.0000   0.0000   98.463   8.4513  ?   ?       ?      ? 
1 1 1    0   10   67 o   40.458   15.766   7.7530   12.458   7.7530   12.458   0.0000   0.0000   40.458   15.766  ?   ?       ?      ? 
1 1 1    0   10   68 o   41.028   9.3341   11.186   6.2484   5.2176   9.0657   16.587   8.6238   34.241   13.420   47.815   12.977 -13.57391 18.66816 
1 1 1    0   10   69 o   38.504   8.9581   8.4613   5.9194   16.607   8.7577   1.6096   8.0320   47.761   13.126   29.246   12.195 18.51457 17.91622 
1 1 1    0   10   70 o   48.083   9.1911   16.847   6.1419   18.808   8.8999   15.065   8.4866   50.628   12.927   45.539   13.069 5.088913 18.38221 
1 1 1    0   10   71 o  161.139   6.1042  183.760   12.447  168.004   21.371  191.850   15.312  155.128   10.166  167.151   6.7600 -12.02315 12.20832 
1 1 1    0   10   72 o   63.174   9.6086   30.834   7.6281   24.368   13.481   33.879   9.2517   56.717   16.528   69.631   9.8048 -12.91325 19.21725 
1 1 1    0   10   73 o  202.198   4.8713  281.800   13.345  277.491   18.943  286.047   18.805  200.624   6.9675  203.772   6.8099 -3.148010 9.742683 
1 1 1    0   10   74 o  118.729   5.3734   97.758   8.6296   90.483   12.135  105.201   12.274  114.171   7.8435  123.287   7.3468 -9.116821 10.74686 
1 1 1    0   10   75 o   41.180   10.324   10.862   6.8946   14.564   11.961   9.0192   8.4374   45.272   15.826   37.088   13.261 8.183624 20.64721 
1 1 1    0   10   76 o   52.659   10.114   20.770   7.1476   23.486   12.140   19.329   8.8425   54.829   15.597   50.489   12.882 4.340298 20.22872 
1 1 1    0   10   77 f   42.693   9.9243   13.782   6.8119   8.2345   11.461   16.813   8.4705   38.410   15.078   46.975   12.908 -8.564823 19.84868 
1 1 1    0   10   78 o   46.384   10.022   17.121   7.0668   11.091   11.822   20.474   8.8151   41.080   15.522   51.688   12.681 -10.60769 20.04327 
1 1 1    0   10   79 o   62.353   9.6111   28.838   7.5364   34.986   13.170   25.845   9.1895   66.360   14.998   58.346   12.022 8.014126 19.22220 
1 1 1    0   10   80 o   53.036   11.429   21.978   9.0743   15.611   11.931   30.713   13.976   45.151   15.805   60.921   16.515 -15.77039 22.85893 
1 1 1    0   10   81 o   71.230   13.884   39.856   12.920   39.856   12.920   0.0000   0.0000   71.230   13.884  ?   ?       ?      ? 
1 1 1    0   10   82 o   96.669   11.320   69.273   14.829   69.273   14.829   0.0000   0.0000   96.669   11.320  ?   ?       ?      ? 
1 1 1    0   10   83 o   40.989   11.168   11.733   8.7644   13.408   11.287   9.1907   13.910   42.135   15.302   39.842   16.272 2.292755 22.33670 
1 1 1    0   10   84 o   44.419   11.524   15.513   8.9655   16.197   11.281   14.342   14.772   44.845   15.387   43.992   17.161 0.8538933 23.04852 
1 1 1    0   10   85 o   36.579   9.8718   5.9345   8.2453   17.381   10.595 -11.6445   13.130   45.932   14.894   27.227   12.960 18.70418 19.74355 
1 1 1    0   10   86 o   78.608   15.768   52.403   16.213   0.0000   0.0000   52.403   16.213  ?   ?    78.608   15.768      ?      ? 
1 1 1    0   10   87 o   44.446   16.950   16.584   14.179   0.0000   0.0000   16.584   14.179  ?   ?    44.446   16.950      ?      ? 
1 1 1    0   10   88 o   44.152   11.439   16.035   9.0876   10.306   12.104   23.436   13.758   38.111   15.318   50.193   16.994 -12.08137 22.87887 
1 1 1    0   10   89 o   46.622   11.852   20.357   9.5536   19.402   13.566   21.298   13.456   45.720   16.750   47.524   16.773 -1.804207 23.70410 
1 1 1    0   10   90 o   26.045   8.7874  -9.2910   8.6518  -7.8089   12.017 -10.8863   12.467   26.398   12.517   25.692   12.337 0.7056847 17.57476 
1 1 1    0   10   91 o   35.083   10.573   6.8837   9.1090   0.1705   12.641   14.134   13.137   30.397   13.862   39.769   15.968 -9.371975 21.14529 
1 1 1    0   10   92 o   57.111   12.427   35.481   10.632   38.846   14.953   32.041   15.120   60.621   17.332   53.601   17.813 7.020252 24.85415 
1 1 1    0   11    1 o  645.729   9.6046  2792.40   78.102  2727.96   93.883  2937.23  140.749  634.054   10.926  657.403   15.799 -23.34943 19.20925 
1 1 1    0   11    2 o  231.425   5.6013  360.006   16.368  354.602   19.755  371.838   29.230  228.711   6.3739  234.140   9.2125 -5.428970 11.20257 
1 1 1    0   11    3 o  432.856   7.2266  1274.28   39.839  1280.38   48.705  1261.95   69.256  434.521   8.2714  431.192   11.852 3.329254 14.45321 
1 1 1    0   11    4 f  673.591   9.9129  3080.99   85.087  3079.47  103.943  3084.06  148.141  673.618   11.387  673.563   16.230 0.5487061E-01 19.82588 
1 1 1    0   11    5 o  155.640   4.6173  163.460   9.7108  154.529   13.140  174.207   14.414  150.979   6.4225  160.301   6.6355 -9.321915 9.234590 
1 1 1    0   11    6 o  435.794   5.9196  1287.11   34.943  1261.30   48.535  1314.88   50.349  431.265   8.3048  440.323   8.4379 -9.058289 11.83926 
1 1 1    0   11    7 o  362.581   5.3526  890.045   26.277  859.139   36.243  924.294   38.152  355.958   7.5135  369.205   7.6255 -13.24698 10.70517 
1 1 1    0   11    8 o  347.288   5.2446  817.921   24.674  843.107   34.937  792.856   34.852  352.626   7.3112  341.949   7.5212 10.67709 10.48916 
1 1 1    0   11    9 o  724.716   8.5905  3565.52   84.363  3554.87  118.739  3576.38  119.884  723.628   12.109  725.805   12.189 -2.176697 17.18091 
1 1 1    0   11   10 o  550.020   8.4988  2050.56   59.820  2063.50  103.414  2044.06   73.335  551.147   13.846  548.893   9.8591 2.253967 16.99759 
1 1 1    0   11   11 o  218.076   6.6141  320.791   19.491  295.347   26.438  351.084   28.848  208.657   9.3500  227.495   9.3575 -18.83798 13.22823 
1 1 1    0   11   12 o  125.670   5.8886  113.796   8.3550  119.943   9.6245   94.998   16.831  133.023   5.3391  118.318   10.497 14.70441 11.77724 
1 1 1    0   11   13 o  267.815   5.4762  480.777   17.088  475.504   19.610  497.409   34.830  264.856   5.4638  270.774   9.4921 -5.918121 10.95232 
1 1 1    0   11   14 o  230.087   5.3475  365.446   14.439  372.155   16.753  346.070   28.473  234.315   5.2762  225.860   9.3028 8.454926 10.69491 
1 1 1    0   11   15 o  324.553   5.8506  709.943   22.233  705.570   25.606  723.343   44.818  322.615   5.8570  326.491   10.130 -3.875977 11.70118 
1 1 1    0   11   16 o  365.705   6.1876  897.315   26.484  887.754   30.462  926.915   53.600  361.863   6.2120  369.547   10.703 -7.684357 12.37530 
1 1 1    0   11   17 o  604.184   8.5735  2459.41   60.453  2440.65   69.492  2517.78  122.575  599.832   8.5491  608.537   14.864 -8.705566 17.14703 
1 1 1    0   11   18 o  380.447   6.3334  977.164   28.269  972.394   32.601  991.619   56.757  378.707   6.3524  382.188   10.959 -3.480133 12.66684 
1 1 1    0   11   19 o  381.691   6.7124  979.212   32.598  961.803   39.595  1015.83   57.426  376.572   7.7591  386.811   10.955 -10.23883 13.42473 
1 1 1    0   11   20 o  423.028   8.2915  1215.14   47.522  1229.31   68.051  1201.65   66.393  425.428   11.804  420.628   11.648 4.800507 16.58310 
1 1 1    0   11   21 o   82.801   9.9545   52.159   10.172   26.229   15.067   73.880   13.789   61.272   17.356  104.330   9.7534 -43.05777 19.90905 
1 1 1    0   11   22 o  891.599   12.594  5335.96  141.728  5196.27  170.611  5647.01  254.585  873.991   14.405  909.206   20.663 -35.21429 25.18842 
1 1 1    0   11   23 o  514.280   8.0962  1782.89   52.984  1756.97   64.420  1837.10   93.152  508.773   9.3436  519.788   13.225 -11.01547 16.19241 
1 1 1    0   11   24 o  405.341   6.9608  1118.94   36.116  1125.99   44.393  1105.14   62.110  407.373   8.0416  403.308   11.364 4.064789 13.92164 
1 1 1    0   11   25 o  164.483   5.2238  183.479   10.248  183.413   11.934  183.663   19.998  164.475   5.3544  164.492   8.9712 -0.1690674E-01 10.44758 
1 1 1    0   11   26 o  238.063   5.2810  377.645   14.842  370.759   17.116  398.520   29.801  233.840   5.4012  242.285   9.0765 -8.444138 10.56199 
1 1 1    0   11   27 o  217.487   5.1852  310.793   13.332  300.785   15.337  341.731   26.966  210.618   5.3736  224.357   8.8696 -13.73878 10.37041 
1 1 1    0   11   28 o  385.572   6.7870  1008.28   33.251  1005.49   40.486  1014.06   58.285  384.917   7.7616  386.227   11.136 -1.309692 13.57408 
1 1 1    0   11   29 o  204.100   5.5439  279.952   14.353  274.967   17.385  290.622   25.437  201.334   6.3722  206.865   9.0740 -5.531250 11.08789 
1 1 1    0   11   30 o  224.387   4.5773  341.594   13.914  352.629   19.739  330.696   19.616  227.992   6.3890  220.781   6.5566 7.211426 9.154648 
1 1 1    0   11   31 o  556.044   6.9820  2101.33   52.611  2103.00   74.371  2099.67   74.434  556.265   9.8660  555.822   9.8821 0.4432983 13.96405 
1 1 1    0   11   32 o  384.739   5.5156  1004.93   28.756  997.310   40.501  1012.67   40.836  383.268   7.7980  386.209   7.8026 -2.940491 11.03127 
1 1 1    0   11   33 o  376.246   5.4456  961.127   27.764  971.991   39.367  950.376   39.162  378.363   7.6779  374.128   7.7244 4.235199 10.89118 
1 1 1    0   11   34 o  367.968   5.3984  919.387   26.919  924.603   38.107  914.192   38.031  369.011   7.6206  366.924   7.6485 2.086365 10.79685 
1 1 1    0   11   35 o  250.118   4.6743  424.491   15.840  437.249   22.576  412.121   22.230  253.821   6.5635  246.414   6.6571 7.406982 9.348636 
1 1 1    0   11   36 o   69.678   6.3561   33.155   5.8592   42.962   8.5187   24.351   8.0718   79.527   7.9045   59.829   9.9558 19.69855 12.71215 
1 1 1    0   11   37 o  194.621   4.5064  257.056   11.884  252.752   16.714  261.457   16.901  192.973   6.3916  196.269   6.3544 -3.296722 9.012799 
1 1 1    0   11   38 o  134.436   4.7182  122.704   8.5934  126.284   12.188  119.165   12.118  136.389   6.5942  132.483   6.7500 3.906189 9.436374 
1 1 1    0   11   39 o   80.181   5.9225   43.794   6.4127   48.094   9.0831   39.520   9.0548   84.126   7.9675   76.235   8.7648 7.890541 11.84494 
1 1 1    0   11   40 o  377.296   5.5049  966.852   28.138  939.818   39.279  995.346   40.327  371.881   7.7943  382.712   7.7757 -10.83109 11.00970 
1 1 1    0   11   41 o  268.173   5.9992  496.388   20.471  467.319   35.162  511.293   25.178  261.967   9.9049  274.379   6.7715 -12.41229 11.99832 
1 1 1    0   11   42 o   72.197   8.1868   29.701   7.1473   56.217   14.016   20.383   8.3087   90.773   11.395   53.620   11.758 37.15246 16.37362 
1 1 1    0   11   43 o  242.011   4.7545  397.453   15.581  376.453   21.692  419.836   22.394  235.407   6.7999  248.616   6.6471 -13.20906 9.509016 
1 1 1    0   11   44 o  358.268   6.5994  877.816   30.296  885.663   37.310  862.630   51.906  360.929   7.6282  355.608   10.771 5.321564 13.19876 
1 1 1    0   11   45 f  307.817   6.1886  649.687   24.458  660.035   30.239  630.110   41.591  311.623   7.1606  304.010   10.096 7.613342 12.37712 
1 1 1    0   11   46 o   69.829   6.7972   33.467   6.3849   29.658   9.1993   37.008   8.8690   65.939   10.295   73.720   8.8779 -7.781281 13.59440 
1 1 1    0   11   47 o  360.265   5.4279  882.823   26.498  872.822   37.363  892.943   37.587  358.208   7.6971  362.321   7.6552 -4.113098 10.85572 
1 1 1    0   11   48 o  109.809   6.4693   80.409   9.1520   76.740   11.195   87.802   15.891  106.201   7.7788  113.418   10.339 -7.216339 12.93863 
1 1 1    0   11   49 f   64.412   7.4624   28.954   6.3178   25.640   9.0742   32.072   8.8015   60.245   11.535   68.579   9.4708 -8.333851 14.92488 
1 1 1    0   11   50 o  331.396   5.2398  745.060   23.498  796.813   34.270  699.144   32.280  342.230   7.3896  320.563   7.4308 21.66711 10.47963 
1 1 1    0   11   51 o  126.306   5.1257  108.577   8.7629  107.616   12.674  109.458   12.130  125.757   7.4369  126.856   7.0559 -1.099007 10.25146 
1 1 1    0   11   52 o  163.670   6.0052  182.172   12.393  183.626   22.045  181.501   14.986  163.974   9.9210  163.367   6.7692 0.6078491 12.01035 
1 1 1    0   11   53 o   59.836   9.0747   31.963   7.8061   1.4257   14.139   45.353   9.3623   38.102   16.052   81.570   8.4698 -43.46735 18.14939 
1 1 1    0   11   54 f  165.684   4.8245  186.930   10.822  179.349   15.412  194.303   15.199  162.349   7.0051  169.019   6.6358 -6.669708 9.649079 
1 1 1    0   11   55 o  253.159   4.8901  435.992   16.773  442.823   24.020  429.493   23.431  255.088   6.9488  251.230   6.8823 3.858231 9.780150 
1 1 1    0   11   56 o  465.187   6.3010  1477.37   39.720  1474.57   56.276  1480.14   56.071  464.739   8.9357  465.635   8.8861 -0.8959961 12.60195 
1 1 1    0   11   57 o  255.170   4.9554  443.491   17.130  435.627   24.369  451.173   24.085  252.915   7.1101  257.425   6.9043 -4.510681 9.910764 
1 1 1    0   11   58 o  169.915   6.1207  201.307   13.091  185.769   22.810  208.940   15.986  164.655   10.223  175.176   6.7341 -10.52092 12.24133 
1 1 1    0   11   59 o  164.670   6.0462  183.261   12.619  191.031   22.404  179.651   15.272  166.962   9.9023  162.378   6.9405 4.584198 12.09239 
1 1 1    0   11   60 o  180.324   4.8932  221.752   11.951  217.630   17.078  225.708   16.730  178.660   7.0539  181.989   6.7836 -3.328262 9.786471 
1 1 1    0   11   61 o   35.746   8.6706   5.7550   6.1102  -6.0057   9.2490   14.863   8.1393   25.841   11.813   45.652   12.696 -19.81045 17.34127 
1 1 1    0   11   62 o  319.756   6.5125  714.877   26.896  749.540   33.805  655.086   44.398  331.186   7.5323  308.325   10.626 22.86111 13.02498 
1 1 1    0   11   63 o   57.671   11.683   23.876   9.5319   26.654   14.578   21.802   12.598   60.401   17.060   54.940   15.968 5.461208 23.36695 
1 1 1    0   11   64 o  124.126   7.7479  105.535   13.033  105.535   13.033   0.0000   0.0000  124.126   7.7479  ?   ?       ?      ? 
1 1 1    0   11   65 o  110.722   6.6905   84.538   9.6867   84.481   12.201   84.634   15.932  110.930   8.1162  110.514   10.639 0.4167633 13.38102 
1 1 1    0   11   66 o   81.503   6.5942   46.002   7.2470   44.425   10.684   47.347   9.8631   80.118   9.8402   82.888   8.7809 -2.770378 13.18837 
1 1 1    0   11   67 o  174.354   4.8707  208.541   11.489  194.375   16.212  222.834   16.284  168.336   7.1069  180.372   6.6622 -12.03587 9.741327 
1 1 1    0   11   68 o   76.665   6.7899   40.601   6.9306   51.740   10.229   31.148   9.4230   86.499   8.7267   66.831   10.405 19.66806 13.57983 
1 1 1    0   11   69 o   43.870   8.4779   13.217   6.0285   2.1547   8.6314   23.753   8.4236   30.510   12.675   57.229   11.263 -26.71933 16.95572 
1 1 1    0   11   70 o  160.368   6.2070  184.641   12.514  161.387   21.440  196.658   15.412  151.630   10.434  169.106   6.7255 -17.47565 12.41396 
1 1 1    0   11   71 o   29.282   8.9296   0.2664   6.3385  -5.9569   11.389   3.0590   7.6293   28.802   13.144   29.762   12.091 -0.9603825 17.85913 
1 1 1    0   11   72 o   29.992   9.0594   0.9040   6.4980  -6.0425   11.583   4.0943   7.8496   28.937   13.225   31.046   12.385 -2.108555 18.11870 
1 1 1    0   11   73 o   48.252   10.314   16.560   6.9980   21.587   12.178   14.081   8.5507   52.924   15.786   43.580   13.279 9.343403 20.62856 
1 1 1    0   11   74 o   56.320   9.1885   27.031   7.4806   8.9877   12.446   37.237   9.3600   40.081   15.719   72.559   9.5193 -32.47825 18.37702 
1 1 1    0   11   75 f   32.734   9.5423   3.7859   6.5946   4.7288   11.099   3.2714   8.1988   35.083   14.455   30.385   12.461 4.697237 19.08466 
1 1 1    0   11   76 f   43.081   10.138   14.092   7.1017   8.9165   11.634   17.166   8.9660   38.965   15.221   47.197   13.396 -8.231678 20.27635 
1 1 1    0   11   77 o   65.418   11.039   34.906   9.6407   38.185   12.763   30.549   14.712   70.110   13.924   60.725   17.133 9.384121 22.07775 
1 1 1    0   11   78 o   63.138   11.066   31.388   9.5943   21.759   12.693   44.220   14.654   51.713   16.252   74.562   15.022 -22.84849 22.13101 
1 1 1    0   11   79 o   49.719   11.701   19.416   9.1930   15.243   12.031   25.271   14.251   44.618   15.848   54.820   17.219 -10.20180 23.40181 
1 1 1    0   11   80 o   65.912   11.159   34.887   9.6251   31.357   12.210   40.682   15.643   62.277   14.704   69.547   16.789 -7.269409 22.31723 
1 1 1    0   11   81 o   32.272   13.577   3.5573   10.093   3.5573   10.093   0.0000   0.0000   32.272   13.577  ?   ?       ?      ? 
1 1 1    0   11   82 o   45.556   11.593   16.215   8.9246   14.338   11.325   19.291   14.497   42.932   15.362   48.179   17.366 -5.247196 23.18557 
1 1 1    0   11   83 o   78.558   10.207   47.212   10.392   31.673   13.317   71.408   16.617   60.928   15.944   96.189   12.748 -35.26106 20.41389 
1 1 1    0   11   84 f   73.068   10.657   41.850   10.338   28.272   13.202   63.375   16.623   56.838   16.297   89.298   13.737 -32.45977 21.31402 
1 1 1    0   11   85 o   76.151   10.636   46.632   10.969   22.597   14.236   81.754   17.209   49.979   17.277  102.324   12.411 -52.34480 21.27281 
1 1 1    0   11   86 o   54.623   17.993   28.686   15.439   0.0000   0.0000   28.686   15.439  ?   ?    54.623   17.993      ?      ? 
1 1 1    0   11   87 o   39.351   11.151   10.439   9.2084   3.9945   12.189   19.007   14.055   33.215   14.462   45.487   16.978 -12.27115 22.30241 
1 1 1    0   11   88 f   55.065   12.107   29.750   10.027   26.412   13.866   33.409   14.517   51.776   17.051   58.353   17.193 -6.576889 24.21484 
1 1 1    0   11   89 o   42.753   11.418   15.458   9.7117   5.0253   13.191   27.806   14.351   33.673   14.841   51.833   17.357 -18.15955 22.83698 
1 1 1    0   11   90 o   37.264   10.994   10.588   9.6302   17.719   13.432   3.0444   13.815   42.119   16.382   32.408   14.666 9.711281 21.98753 
1 1 1    0   12    0 o  514.935   9.3688  1798.23   65.352  1765.37   90.938  1833.33   93.981  510.078   13.156  519.793   13.342 -9.715210 18.73758 
1 1 1    0   12    1 o  271.446   4.8262  499.540   17.724  539.219   25.342  461.553   24.796  282.001   6.6315  260.892   7.0137 21.10925 9.652406 
1 1 1    0   12    2 o  268.521   4.8043  489.082   17.474  495.029   24.426  482.849   25.007  270.197   6.6711  266.845   6.9154 3.351898 9.608660 
1 1 1    0   12    3 o  160.444   4.5983  174.008   9.9779  166.466   13.597  182.809   14.688  156.690   6.4035  164.198   6.6010 -7.508240 9.196648 
1 1 1    0   12    4 o  200.782   4.5833  272.280   12.444  257.284   16.935  289.882   18.347  194.797   6.4152  206.766   6.5477 -11.96951 9.166644 
1 1 1    0   12    5 o  636.126   7.7459  2747.16   66.769  2786.16   94.782  2708.73   94.075  640.612   10.918  631.639   10.991 8.972717 15.49186 
1 1 1    0   12    6 o   90.408   5.7664   55.011   7.0370   50.140   9.4709   61.015   10.514   85.976   8.1289   94.841   8.1810 -8.865227 11.53290 
1 1 1    0   12    7 o  152.305   4.7241  157.878   9.7133  170.004   13.555  145.078   13.926  158.345   6.3169  146.265   7.0260 12.08040 9.448190 
1 1 1    0   12    8 f  189.497   4.6214  242.166   11.835  222.696   16.075  265.214   17.489  181.225   6.5455  197.770   6.5257 -16.54541 9.242739 
1 1 1    0   12    9 o  204.327   4.6556  280.717   12.833  249.424   17.310  318.904   19.122  191.788   6.6604  216.865   6.5067 -25.07713 9.311245 
1 1 1    0   12   10 o  514.571   6.6408  1796.23   46.292  1769.45   64.500  1824.67   66.479  510.624   9.3213  518.518   9.4610 -7.893921 13.28151 
1 1 1    0   12   11 o  800.985   9.3832  4358.27  101.813  4491.60  146.280  4232.98  141.796  812.858   13.280  789.113   13.260 23.74500 18.76638 
1 1 1    0   12   12 o  149.605   5.5708  151.099   9.7079  150.405   11.157  153.261   19.698  148.946   5.5275  150.263   9.6738 -1.317307 11.14161 
1 1 1    0   12   13 o  176.027   5.2198  199.913   10.690  190.912   12.168  230.365   22.381  167.810   5.3507  184.243   8.9641 -16.43272 10.43960 
1 1 1    0   12   14 o  119.568   6.1751   96.987   9.4605   96.924   11.620   97.112   16.294  119.540   7.1729  119.596   10.054 -0.5634308E-01 12.35014 
1 1 1    0   12   15 o  425.218   7.2603  1234.34   39.422  1247.64   48.394  1208.12   67.963  428.800   8.3283  421.637   11.895 7.163055 14.52050 
1 1 1    0   12   16 o  382.612   7.8678  993.230   40.794  993.230   40.794   0.0000   0.0000  382.612   7.8678  ?   ?       ?      ? 
1 1 1    0   12   17 o  280.937   5.6030  535.150   21.331  535.150   21.331   0.0000   0.0000  280.937   5.6030  ?   ?       ?      ? 
1 1 1    0   12   18 o  336.118   6.0769  779.566   23.995  792.907   27.848  741.102   47.284  341.942   6.0097  330.294   10.564 11.64844 12.15386 
1 1 1    0   12   19 o  132.457   5.6112  121.272   8.7372  123.604   10.149  114.594   17.173  135.014   5.5470  129.899   9.7555 5.115005 11.22230 
1 1 1    0   12   20 o  167.434   5.3876  188.652   10.659  187.033   12.325  193.453   21.226  166.081   5.4764  168.788   9.2798 -2.707458 10.77525 
1 1 1    0   12   21 o  874.938   11.735  5196.00  119.796  5168.67  137.817  5280.49  242.312  871.844   11.665  878.031   20.365 -6.186157 23.46912 
1 1 1    0   12   22 o  236.522   5.4521  381.336   15.135  383.024   17.498  376.323   30.157  237.663   5.4329  235.382   9.4544 2.281021 10.90423 
1 1 1    0   12   23 o  200.722   5.4072  279.555   12.688  285.831   14.711  261.321   25.074  205.307   5.2876  196.136   9.4337 9.171082 10.81449 
1 1 1    0   12   24 o  144.994   5.4569  142.574   10.722  142.574   10.722   0.0000   0.0000  144.994   5.4569  ?   ?       ?      ? 
1 1 1    0   12   25 o  126.695   5.6265  108.868   9.6601  108.868   9.6601   0.0000   0.0000  126.695   5.6265  ?   ?       ?      ? 
1 1 1    0   12   26 o  201.013   5.3008  278.433   12.550  282.827   14.578  265.859   24.662  204.215   5.2678  197.811   9.2003 6.403900 10.60169 
1 1 1    0   12   27 o  109.969   5.5933   79.483   7.5088   76.273   8.7865   88.177   14.459  106.031   6.1151  113.907   9.3672 -7.876564 11.18651 
1 1 1    0   12   28 o  265.994   5.5009  475.095   17.187  469.832   19.804  491.158   34.597  263.182   5.5527  268.805   9.4977 -5.622955 11.00180 
1 1 1    0   12   29 o  212.050   5.2994  306.082   13.316  306.912   15.466  303.701   26.183  212.715   5.3652  211.384   9.1405 1.330902 10.59879 
1 1 1    0   12   30 o  125.803   5.6974  113.020   8.4798  119.650   9.9954   95.994   16.018  132.807   5.5539  118.799   9.9497 14.00726 11.39479 
1 1 1    0   12   31 o  195.295   5.2552  259.718   12.241  260.516   14.268  257.491   23.824  195.969   5.3727  194.621   9.0333 1.348099 10.51034 
1 1 1    0   12   32 o  176.373   4.5696  211.145   10.922  211.525   15.438  210.763   15.454  176.533   6.4532  176.213   6.4715 0.3193512 9.139152 
1 1 1    0   12   33 o  578.103   7.2209  2274.80   56.569  2281.22   80.005  2268.39   79.996  578.922   10.198  577.284   10.226 1.637512 14.44181 
1 1 1    0   12   34 o  120.735   4.9368   98.991   8.0769   98.745   11.472   99.233   11.374  120.585   7.0204  120.886   6.9429 -0.3009949 9.873698 
1 1 1    0   12   35 o  117.830   4.9156   94.371   7.8350   87.531   11.045  101.298   11.116  113.520   7.1799  122.140   6.7160 -8.619576 9.831298 
1 1 1    0   12   36 o  201.520   4.5670  275.739   12.471  275.098   17.726  276.368   17.549  201.286   6.4984  201.755   6.4187 -0.4693451 9.133985 
1 1 1    0   12   37 o  351.832   6.5513  841.693   29.364  844.665   51.172  840.235   35.854  352.030   10.727  351.634   7.5243 0.3967285 13.10269 
1 1 1    0   12   38 o  110.024   6.3064   77.579   8.7676   95.691   16.191   70.064   10.429  118.516   10.081  101.532   7.5799 16.98413 12.61289 
1 1 1    0   12   39 o   87.112   5.7330   51.374   6.7358   58.923   9.8624   44.774   9.2216   93.095   7.8176   81.130   8.3877 11.96458 11.46595 
1 1 1    0   12   40 o  155.230   5.6801  166.867   11.349  174.107   14.179  153.956   18.934  160.100   6.5352  150.360   9.2923 9.740494 11.36028 
1 1 1    0   12   41 o   88.941   6.9641   56.852   7.8727   65.003   10.040   43.838   12.686   97.777   7.5771   80.105   11.687 17.67141 13.92814 
1 1 1    0   12   42 o  167.900   5.6508  194.255   12.229  200.196   15.244  183.531   20.481  171.658   6.5534  164.143   9.2076 7.515488 11.30164 
1 1 1    0   12   43 o   53.028   8.1160   19.342   5.8761   28.711   8.7095   11.514   7.9608   64.887   9.9051   41.168   12.860 23.71838 16.23208 
1 1 1    0   12   44 o  159.040   5.6934  167.886   11.659  159.188   14.235  185.611   20.320  153.033   6.8641  165.048   9.0853 -12.01552 11.38676 
1 1 1    0   12   45 o   43.858   9.1748   7.3349   6.7681  -3.0180   8.3716   26.869   11.500   26.372   11.713   61.343   14.125 -34.97164 18.34963 
1 1 1    0   12   46 o  261.297   4.8584  464.199   17.202  465.796   24.489  462.644   24.170  261.737   6.9043  260.858   6.8373 0.8783264 9.716898 
1 1 1    0   12   47 o  335.361   5.2883  765.259   24.031  751.511   33.887  779.167   34.084  332.323   7.5247  338.400   7.4326 -6.077271 10.57666 
1 1 1    0   12   48 o  163.324   4.8400  181.312   10.703  183.562   15.500  179.261   14.797  164.282   6.9624  162.366   6.7250 1.915710 9.679924 
1 1 1    0   12   49 o  174.344   5.8605  205.052   12.992  213.028   22.913  201.272   15.772  176.656   9.5713  172.031   6.7655 4.624878 11.72102 
1 1 1    0   12   50 o  171.733   6.0853  205.971   13.147  187.458   22.847  215.137   16.076  165.611   10.180  177.856   6.6699 -12.24551 12.17069 
1 1 1    0   12   51 o  435.947   6.0693  1295.01   35.841  1332.34   51.585  1260.18   49.834  442.006   8.6121  429.888   8.5543 12.11801 12.13856 
1 1 1    0   12   52 o  224.438   4.8536  343.151   14.743  324.807   20.929  361.218   20.771  218.449   7.0699  230.428   6.6518 -11.97881 9.707154 
1 1 1    0   12   53 o  155.359   4.9893  164.462   10.483  161.904   15.251  166.753   14.433  154.187   7.2990  156.531   6.8041 -2.344269 9.978564 
1 1 1    0   12   54 o  233.594   4.8778  371.375   15.430  374.751   22.285  368.264   21.385  234.595   7.0098  232.592   6.7848 2.002991 9.755544 
1 1 1    0   12   55 o  199.111   5.9948  268.946   14.986  275.378   26.967  266.072   18.026  200.540   9.9233  197.682   6.7289 2.857056 11.98960 
1 1 1    0   12   56 o   34.474   9.8883   3.9045   7.0148  -3.3314   13.218   6.7417   8.2766   33.711   14.857   35.237   13.053 -1.525761 19.77656 
1 1 1    0   12   57 o  129.968   5.3032  115.751   9.2988  107.220   13.447  123.568   12.872  125.307   7.9192  134.628   7.0557 -9.321228 10.60642 
1 1 1    0   12   58 o  249.640   6.0415  420.667   19.565  407.142   24.198  446.199   33.248  244.250   7.3108  255.030   9.6203 -10.77972 12.08296 
1 1 1    0   12   59 o   77.234   8.8679   42.017   8.2868   41.952   14.995   42.046   9.9431   76.199   15.056   78.269   9.3745 -2.070770 17.73579 
1 1 1    0   12   60 o   30.830   8.9738   2.1643   6.0888  -0.2566   9.1278   4.1052   8.1729   29.572   12.693   32.088   12.689 -2.515701 17.94761 
1 1 1    0   12   61 o  151.388   6.1102  149.733   11.972  133.600   14.583  183.077   20.965  139.690   7.7038  163.086   9.4864 -23.39671 12.22045 
1 1 1    0   12   62 o  114.182   5.7229   89.341   8.8479   92.337   12.833   86.626   12.216  115.992   8.1642  112.372   8.0218 3.619713 11.44572 
1 1 1    0   12   63 o   33.358   9.3353   0.3340   6.8548  -7.8426   8.9969   11.649   10.584   24.206   11.270   42.510   14.885 -18.30473 18.67050 
1 1 1    0   12   64 o   66.815   9.2121   33.088   7.9022   36.748   10.155   27.469   12.582   72.747   10.301   60.883   15.276 11.86449 18.42422 
1 1 1    0   12   65 o   54.619   8.8682   22.142   6.4374   18.344   9.5698   25.282   8.6999   50.010   13.711   59.228   11.251 -9.217255 17.73640 
1 1 1    0   12   66 o  127.496   5.2710  112.124   9.0854  106.573   13.078  117.302   12.631  124.356   7.7606  130.636   7.1349 -6.279564 10.54198 
1 1 1    0   12   67 o  231.233   4.9576  367.946   15.529  363.597   22.170  372.136   21.759  229.837   7.1182  232.629   6.9023 -2.791702 9.915183 
1 1 1    0   12   68 f  110.100   5.5629   83.884   8.2871   83.852   12.054   83.913   11.412  110.015   8.0855  110.184   7.6427 -0.1689224 11.12590 
1 1 1    0   12   69 o  113.347   6.8099   91.442   9.5933   86.508   17.149   93.689   11.574  110.282   11.475  116.411   7.3365 -6.129433 13.61984 
1 1 1    0   12   70 o   85.476   8.6757   51.048   10.049   0.0000   0.0000   51.048   10.049  ?   ?    85.476   8.6757      ?      ? 
1 1 1    0   12   71 o   47.295   9.7941   17.577   6.8149   11.329   11.610   20.862   8.4178   41.755   15.461   52.835   12.027 -11.07963 19.58825 
1 1 1    0   12   72 o   72.254   8.9497   40.021   7.8399   34.991   13.691   42.476   9.5628   66.909   15.417   77.598   9.0939 -10.68996 17.89945 
1 1 1    0   12   73 o   82.673   8.6312   54.731   8.3044   39.395   14.270   62.585   10.212   70.849   15.310   94.497   7.9743 -23.64848 17.26239 
1 1 1    0   12   74 o   83.495   7.7156   51.347   8.2580   47.523   13.788   53.486   10.312   80.064   12.708   86.926   8.7543 -6.861763 15.43127 
1 1 1    0   12   75 f   33.341   9.6109   1.0195   7.9711   11.931   10.426 -14.3285   12.366   40.914   14.729   25.768   12.350 15.14665 19.22189 
1 1 1    0   12   76 o   44.109   10.939   12.101   8.5541   3.5545   11.109   24.547   13.407   33.704   14.215   54.515   16.632 -20.81088 21.87893 
1 1 1    0   12   77 o   80.635   9.8335   49.662   10.323   37.481   13.792   65.179   15.567   68.001   15.333   93.269   12.316 -25.26765 19.66691 
1 1 1    0   12   78 o   72.105   10.367   39.833   9.9289   27.319   12.937   57.766   15.487   57.220   16.039   86.990   13.138 -29.77077 20.73308 
1 1 1    0   12   79 f   39.831   11.113   10.059   8.6383   8.9025   10.970   11.947   14.014   37.632   14.758   42.030   16.618 -4.397472 22.22515 
1 1 1    0   12   80 o   57.690   15.115   27.642   11.958   27.642   11.958   0.0000   0.0000   57.690   15.115  ?   ?       ?      ? 
1 1 1    0   12   81 o   38.658   10.915   9.2415   8.4932   7.1753   10.980   12.319   13.400   35.777   14.516   41.539   16.305 -5.762077 21.83026 
1 1 1    0   12   82 o   32.185   9.7443  -1.8177   8.0331 -11.4171   10.438   12.126   12.580   23.657   11.341   40.714   15.849 -17.05650 19.48865 
1 1 1    0   12   83 o   36.485   10.141   1.1497   8.3911 -12.0796   10.768   21.601   13.389   23.738   11.416   49.231   16.764 -25.49359 20.28176 
1 1 1    0   12   84 o   36.841   10.821   6.0262   8.8888  -0.1832   11.330   15.968   14.336   30.113   13.482   43.569   16.930 -13.45645 21.64289 
1 1 1    0   12   85 o   23.062   11.338 -19.3635   12.354   0.0000   0.0000 -19.3635   12.354  ?   ?    23.062   11.338      ?      ? 
1 1 1    0   12   86 o  116.413   8.6851  108.436   13.497   86.977   18.327  133.861   19.950  102.480   13.197  130.346   11.294 -27.86552 17.37019 
1 1 1    0   12   87 f   52.215   11.199   24.607   10.037   7.8632   13.575   44.799   14.907   35.707   15.403   68.724   16.260 -33.01756 22.39790 
1 1 1    0   12   88 o   39.905   11.482   14.818   9.7476   14.815   13.480   14.820   14.112   39.887   16.118   39.923   16.357 -0.3619003E-01 22.96432 
1 1 1    0   13    1 o  124.542   5.0192  105.887   8.4164  113.895   11.573   96.896   12.263  129.583   6.5902  119.502   7.5723 10.08101 10.03841 
1 1 1    0   13    2 o  470.146   6.2731  1500.57   39.961  1502.78   56.090  1498.30   56.948  470.504   8.7970  469.788   8.9452 0.7169495 12.54610 
1 1 1    0   13    3 o  319.673   5.1314  693.359   22.222  695.511   31.045  691.099   31.821  320.188   7.1550  319.159   7.3574 1.028564 10.26279 
1 1 1    0   13    4 o  214.980   4.6731  313.783   13.598  321.037   18.912  306.021   19.564  217.561   6.4148  212.399   6.7971 5.162125 9.346105 
1 1 1    0   13    5 o  151.247   4.7864  155.196   9.7814  155.461   13.338  154.887   14.387  151.393   6.5015  151.100   7.0263 0.2930145 9.572786 
1 1 1    0   13    6 o  314.737   5.1206  672.214   21.831  677.124   30.497  667.054   31.264  315.923   7.1234  313.552   7.3579 2.371277 10.24119 
1 1 1    0   13    7 o  413.548   7.1051  1154.57   37.618  1183.66   65.267  1140.10   46.033  417.254   11.543  409.842   8.2884 7.412140 14.21028 
1 1 1    0   13    8 o   98.986   6.7360   66.400   8.7126   67.093   14.406   66.000   10.940   99.362   10.699   98.610   8.1870 0.7521133 13.47198 
1 1 1    0   13    9 o  247.745   5.8972  418.281   18.814  411.311   31.921  421.992   23.289  246.085   9.5721  249.405   6.8907 -3.319321 11.79433 
1 1 1    0   13   10 o  310.763   5.1034  655.591   21.480  676.510   30.266  634.362   30.490  315.769   7.0731  305.757   7.3588 10.01160 10.20684 
1 1 1    0   13   11 o  230.747   4.7370  361.522   14.794  368.525   20.535  353.966   21.330  233.081   6.5015  228.414   6.8910 4.666718 9.473906 
1 1 1    0   13   12 o  270.289   4.9140  495.201   17.972  487.472   24.665  503.948   26.240  268.052   6.7903  272.527   7.1051 -4.475800 9.827988 
1 1 1    0   13   13 o  106.105   6.0171   77.819   7.4371   79.191   8.5967   73.738   14.827  108.056   5.8709  104.155   10.505 3.900314 12.03422 
1 1 1    0   13   14 o  101.742   6.0840   68.963   7.2650   67.678   8.3527   72.956   14.723   99.886   6.1708  103.598   10.487 -3.712303 12.16799 
1 1 1    0   13   15 o   95.334   6.2833   59.486   7.0470   57.349   8.0807   66.273   14.400   91.941   6.4857   98.727   10.764 -6.785721 12.56664 
1 1 1    0   13   16 o  197.065   5.4340  266.123   12.458  268.558   14.360  258.710   25.052  198.999   5.3250  195.131   9.4740 3.868713 10.86796 
1 1 1    0   13   17 o  141.357   5.5632  135.561   9.1752  135.468   10.564  135.848   18.514  141.329   5.5158  141.385   9.6629 -0.5575562E-01 11.12638 
1 1 1    0   13   18 o   55.137   9.0968   20.654   6.7969   20.654   6.7969   0.0000   0.0000   55.137   9.0968  ?   ?       ?      ? 
1 1 1    0   13   19 o   96.883   6.3586   63.686   8.3481   63.686   8.3481   0.0000   0.0000   96.883   6.3586  ?   ?       ?      ? 
1 1 1    0   13   20 o  104.210   7.8364   73.741   11.067   73.741   11.067   0.0000   0.0000  104.210   7.8364  ?   ?       ?      ? 
1 1 1    0   13   21 o   76.031   9.4370   39.295   9.7231   39.295   9.7231   0.0000   0.0000   76.031   9.4370  ?   ?       ?      ? 
1 1 1    0   13   22 o   44.015   11.097   13.700   6.6176   13.700   6.6176   0.0000   0.0000   44.015   11.097  ?   ?       ?      ? 
1 1 1    0   13   23 o  294.258   5.7717  586.035   19.824  583.948   22.813  592.470   40.059  293.383   5.7382  295.134   10.016 -1.750244 11.54339 
1 1 1    0   13   24 o  171.265   5.3960  201.485   10.851  203.837   12.573  194.615   21.485  173.348   5.3521  169.182   9.3713 4.165802 10.79192 
1 1 1    0   13   25 o  173.776   5.3781  207.597   10.983  210.190   12.733  200.062   21.705  176.026   5.3380  171.526   9.3381 4.499985 10.75614 
1 1 1    0   13   26 o   42.415   9.3940   11.696   5.5519   11.236   6.5210   12.907   10.585   40.128   11.436   44.702   14.906 -4.574097 18.78806 
1 1 1    0   13   27 o  118.099   5.6552   93.036   7.9950   91.137   9.2857   98.476   15.720  115.888   5.9128  120.311   9.6417 -4.422432 11.31031 
1 1 1    0   13   28 o  154.600   5.4522  164.303   9.9776  166.387   11.612  158.423   19.505  156.599   5.4718  152.601   9.4322 3.997711 10.90441 
1 1 1    0   13   29 f  165.050   5.4376  187.931   10.613  191.017   12.357  179.254   20.719  167.787   5.4349  162.314   9.4198 5.473679 10.87521 
1 1 1    0   13   30 o  294.205   5.7361  576.548   19.739  565.354   22.653  611.854   40.231  288.622   5.7917  299.788   9.9028 -11.16595 11.47212 
1 1 1    0   13   31 o  290.408   5.7571  574.556   19.670  575.796   22.759  570.896   39.106  291.269   5.7661  289.547   9.9665 1.722290 11.51428 
1 1 1    0   13   32 o  158.488   5.5808  176.063   10.375  181.772   12.084  160.048   20.239  163.663   5.4484  153.313   9.7414 10.35085 11.16153 
1 1 1    0   13   33 o  126.806   6.1578  108.732   10.276  106.675   13.000  112.157   16.775  125.276   7.6576  128.336   9.6455 -3.059883 12.31560 
1 1 1    0   13   34 o  198.376   5.7629  266.287   14.902  262.781   18.619  272.535   24.856  196.666   6.9862  200.086   9.1671 -3.420059 11.52570 
1 1 1    0   13   35 o   94.644   6.6476   58.846   8.2035   53.659   10.112   68.828   14.029   88.810   8.4026  100.479   10.303 -11.66961 13.29523 
1 1 1    0   13   36 o  427.111   7.2664  1230.46   39.356  1206.51   47.648  1281.88   69.814  421.098   8.3499  433.124   11.894 -12.02618 14.53271 
1 1 1    0   13   37 o  143.553   5.7859  136.201   10.701  128.005   13.055  152.986   18.684  137.238   7.0198  149.869   9.1995 -12.63109 11.57188 
1 1 1    0   13   38 o  170.008   4.6963  196.377   10.809  185.204   15.169  207.904   15.407  165.085   6.7807  174.931   6.4995 -9.845642 9.392598 
1 1 1    0   13   39 o  104.283   5.2719   73.871   7.4293   81.802   10.707   66.508   10.317  109.688   7.2035   98.879   7.6994 10.80834 10.54381 
1 1 1    0   13   40 o  136.968   4.8476  127.633   8.9620  113.315   12.543  142.568   12.810  129.093   7.1697  144.844   6.5262 -15.75111 9.695197 
1 1 1    0   13   41 o  209.733   5.6948  296.036   15.295  289.306   18.680  309.730   26.644  206.307   6.6815  213.160   9.2240 -6.852875 11.38963 
1 1 1    0   13   42 o  234.860   4.7871  374.940   15.234  369.999   21.377  380.039   21.716  233.289   6.7620  236.431   6.7779 -3.142105 9.574126 
1 1 1    0   13   43 o  203.492   4.7211  281.387   13.016  289.380   18.635  273.773   18.187  206.313   6.6653  200.670   6.6880 5.642853 9.442255 
1 1 1    0   13   44 o  368.284   5.5358  922.183   27.609  962.999   39.899  884.682   38.244  376.093   7.8286  360.475   7.8290 15.61755 11.07157 
1 1 1    0   13   45 o  125.821   5.5505  109.518   9.2924   87.740   13.364  129.900   12.929  113.448   8.6930  138.195   6.9039 -24.74671 11.10102 
1 1 1    0   13   46 o  384.285   6.9421  990.006   33.751  1060.66   60.513  958.099   40.664  393.538   11.347  375.033   8.0012 18.50507 13.88423 
1 1 1    0   13   47 o  548.488   8.6299  2032.60   59.846  2153.92  107.112  1977.54   72.159  559.009   14.140  537.967   9.8981 21.04224 17.25974 
1 1 1    0   13   48 o  135.140   5.2178  123.581   9.5230  133.915   14.201  115.135   12.837  140.234   7.4727  130.046   7.2843 10.18829 10.43565 
1 1 1    0   13   49 o  200.820   4.7900  273.664   13.017  290.626   19.013  258.696   17.859  206.660   6.7890  194.981   6.7592 11.67900 9.580000 
1 1 1    0   13   50 o  202.203   4.8253  277.883   13.208  287.113   19.221  269.625   18.181  205.369   6.9066  199.038   6.7405 6.330826 9.650615 
1 1 1    0   13   51 o  221.247   4.8649  333.635   14.571  321.007   20.793  345.821   20.425  217.099   7.0677  225.394   6.6872 -8.295517 9.729895 
1 1 1    0   13   52 o   86.719   9.4508   60.447   8.8862   38.619   16.798   68.930   10.471   72.904   17.268  100.535   7.6861 -27.63133 18.90161 
1 1 1    0   13   53 o   80.919   9.2576   47.279   8.5428   43.400   16.609   48.674   9.9614   77.459   16.338   84.380   8.7117 -6.921082 18.51518 
1 1 1    0   13   54 o  349.453   7.7537  839.966   36.711  817.447   51.657  862.946   52.182  344.676   11.059  354.230   10.871 -9.554016 15.50741 
1 1 1    0   13   55 o   31.985   8.9394   2.7749   6.2213  -5.5377   9.8125   8.3627   8.0451   27.098   12.301   36.872   12.974 -9.774019 17.87873 
1 1 1    0   13   56 o   96.554   5.9400   64.598   7.6702   57.503   11.392   70.481   10.374   91.549   9.1824  101.560   7.5378 -10.01186 11.88004 
1 1 1    0   13   57 o   29.528   8.7512   1.2577   5.8649  -0.2930   9.0943   2.3618   7.6739   29.486   12.663   29.570   12.083 -0.8413887E-01 17.50235 
1 1 1    0   13   58 o   70.527   8.8255   33.022   8.0295   24.059   10.111   48.325   13.212   57.605   13.231   83.449   11.683 -25.84323 17.65104 
1 1 1    0   13   59 o   44.784   9.5806   14.184   6.4733   9.9256   9.4278   17.982   8.9038   39.773   14.039   49.795   13.040 -10.02230 19.16126 
1 1 1    0   13   60 o   78.943   6.7592   42.337   7.1409   53.028   10.819   34.084   9.5054   87.700   9.1034   70.187   9.9939 17.51373 13.51850 
1 1 1    0   13   61 o  156.346   6.0151  164.704   12.257  155.568   15.185  181.791   20.766  150.562   7.4424  162.129   9.4518 -11.56763 12.03026 
1 1 1    0   13   62 o   72.371   8.6190   35.313   8.0469   26.449   10.180   50.077   13.138   60.173   12.873   84.570   11.464 -24.39716 17.23795 
1 1 1    0   13   63 o   58.762   8.6070   25.003   6.6103   27.480   9.8351   22.963   8.9275   61.436   12.243   56.089   12.101 5.347218 17.21406 
1 1 1    0   13   64 o   76.990   6.8161   40.946   7.0493   49.255   10.461   34.034   9.5412   84.185   9.1693   69.795   10.088 14.38949 13.63225 
1 1 1    0   13   65 o   81.194   6.4688   46.260   7.0580   42.185   10.353   49.799   9.6474   77.655   9.8382   84.733   8.4018 -7.078598 12.93756 
1 1 1    0   13   66 o   92.647   6.0515   60.117   7.5432   53.833   10.899   65.894   10.450   87.792   9.1612   97.502   7.9092 -9.709831 12.10307 
1 1 1    0   13   67 o   55.116   9.9815   24.333   7.3152   17.544   13.241   27.315   8.7760   49.008   16.671   61.223   10.981 -12.21540 19.96306 
1 1 1    0   13   68 f   35.992   12.899   8.4045   7.9869   0.0000   0.0000   8.4045   7.9869  ?   ?    35.992   12.899      ?      ? 
1 1 1    0   13   69 o   29.707   8.7108   0.5038   6.5036 -15.6537   11.833   7.4962   7.7846   24.809   11.940   34.605   12.687 -9.796137 17.42151 
1 1 1    0   13   70 f   64.765   9.4187   29.187   7.5479   40.967   13.727   24.082   9.0364   72.970   14.394   56.560   12.152 16.40968 18.83749 
1 1 1    0   13   71 o   34.643   9.7791   6.0942   6.7064   3.1445   12.000   7.4340   8.0874   34.715   14.715   34.571   12.884 0.1441574 19.55821 
1 1 1    0   13   72 o   29.119   9.2680  -4.7877   8.0116   2.1470   10.956 -12.7588   11.746   32.679   13.962   25.559   12.192 7.119490 18.53606 
1 1 1    0   13   73 o   42.893   10.910   10.625   8.6291   1.7272   11.293   23.107   13.376   32.643   14.066   53.143   16.680 -20.50011 21.81925 
1 1 1    0   13   74 o   45.728   10.948   16.022   8.6726   23.054   11.594   7.0869   13.068   53.320   15.267   38.136   15.696 15.18411 21.89635 
1 1 1    0   13   75 o   49.640   11.489   19.361   8.9729   14.241   11.864   26.204   13.715   43.461   15.703   55.819   16.776 -12.35720 22.97865 
1 1 1    0   13   76 o   47.525   11.568   18.123   8.9726   16.409   11.969   20.321   13.557   45.503   15.836   49.548   16.869 -4.044956 23.13699 
1 1 1    0   13   77 o   33.699   10.237   2.4666   8.3011  -0.3034   10.783   6.4968   13.007   30.232   13.366   37.167   15.509 -6.934656 20.47423 
1 1 1    0   13   78 o   33.070   10.258   0.2446   8.4710  -3.4162   10.530   6.9579   14.260   27.892   12.693   38.249   16.117 -10.35723 20.51566 
1 1 1    0   13   79 o   45.158   15.474   16.761   11.409   16.761   11.409   0.0000   0.0000   45.158   15.474  ?   ?       ?      ? 
1 1 1    0   13   80 o   48.017   11.317   20.006   9.0140   25.179   11.941   13.152   13.744   54.091   15.496   41.943   16.497 12.14847 22.63324 
1 1 1    0   13   81 o   53.569   11.062   21.971   9.4234   8.2838   12.087   43.188   15.049   36.879   15.127   70.260   16.144 -33.38056 22.12400 
1 1 1    0   13   82 o   88.732   9.4019   63.048   11.213   59.294   14.799   68.108   17.182   86.338   12.649   91.126   13.914 -4.787964 18.80371 
1 1 1    0   13   83 o   41.670   11.553   14.079   9.4616   10.493   12.499   18.891   14.480   38.054   15.470   45.287   17.162 -7.232235 23.10543 
1 1 1    0   13   84 o   50.209   17.654   25.494   14.895   0.0000   0.0000   25.494   14.895  ?   ?    50.209   17.654      ?      ? 
1 1 1    0   13   85 o   29.117   9.5235  -2.4296   8.8398  -2.8451   12.108  -1.9553   12.936   28.512   13.206   29.721   13.725 -1.209085 19.04708 
1 1 1    0   13   86 o   37.051   10.927   10.557   9.3072   5.1003   12.949   16.389   13.387   33.035   14.624   41.067   16.240 -8.032265 21.85428 
1 1 1    0   14    0 o  271.454   9.9974  500.148   36.776   0.0000   0.0000  500.148   36.776  ?   ?   271.454   9.9974      ?      ? 
1 1 1    0   14    1 o   73.838   8.2806   37.371   7.8100   38.843   12.909   36.521   9.8088   74.384   13.294   73.293   9.8758 1.090965 16.56119 
1 1 1    0   14    2 o  318.546   6.3107  695.372   26.033  668.946   43.379  710.248   32.546  313.640   10.206  323.453   7.4251 -9.813232 12.62140 
1 1 1    0   14    3 o  130.345   6.0006  115.303   10.266  115.829   16.767  114.987   12.984  130.542   9.4779  130.147   7.3620 0.3946991 12.00126 
1 1 1    0   14    4 o   67.670   9.0806   35.828   7.7863   17.061   12.090   49.127   10.178   50.308   15.869   85.033   8.8327 -34.72528 18.16114 
1 1 1    0   14    5 o  414.815   5.8823  1168.15   33.055  1146.55   46.009  1191.19   47.520  410.861   8.2635  418.769   8.3738 -7.907440 11.76460 
1 1 1    0   14    6 o  202.438   4.7438  278.246   13.000  281.052   18.026  275.205   18.765  203.510   6.5363  201.365   6.8768 2.144684 9.487534 
1 1 1    0   14    7 o  319.981   5.1903  693.480   22.474  665.849   30.791  724.980   32.876  313.183   7.2552  326.779   7.4241 -13.59589 10.38050 
1 1 1    0   14    8 o  486.824   6.4570  1610.64   42.590  1606.63   59.647  1614.80   60.834  486.220   9.0526  487.428   9.2098 -1.207947 12.91393 
1 1 1    0   14    9 o  154.812   4.8506  162.900   10.150  166.206   13.951  159.180   14.796  156.495   6.5783  153.130   7.1302 3.364639 9.701237 
1 1 1    0   14   10 o  243.333   4.8271  402.482   15.887  429.693   22.417  375.026   22.518  251.623   6.5743  235.043   7.0698 16.58038 9.654201 
1 1 1    0   14   11 o  306.937   5.1349  639.974   21.346  655.758   29.953  623.683   30.429  310.797   7.1118  303.076   7.4089 7.721069 10.26982 
1 1 1    0   14   12 o  198.352   5.8751  263.344   14.578  257.253   17.429  277.535   26.602  194.687   6.6061  202.018   9.7173 -7.330978 11.75014 
1 1 1    0   14   13 f  376.210   6.3679  960.523   32.465  960.523   32.465   0.0000   0.0000  376.210   6.3679  ?   ?       ?      ? 
1 1 1    0   14   14 o  270.933   5.6026  497.991   20.570  497.991   20.570   0.0000   0.0000  270.933   5.6026  ?   ?       ?      ? 
1 1 1    0   14   15 o  197.258   5.5578  274.374   12.672  284.396   14.671  244.939   25.143  204.756   5.2874  189.761   9.7774 14.99545 11.11551 
1 1 1    0   14   16 o  120.671   5.8065   93.868   8.1627   89.391   9.2926  108.990   17.080  114.775   5.9746  126.567   9.9583 -11.79148 11.61304 
1 1 1    0   14   17 o   72.867   8.3859   41.167   6.5644   45.105   7.5796   29.352   13.130   81.508   6.8622   64.227   15.304 17.28085 16.77187 
1 1 1    0   14   18 o  104.653   6.2958   72.265   7.7210   70.191   8.8506   78.872   15.795  101.689   6.4227  107.617   10.831 -5.927650 12.59170 
1 1 1    0   14   19 o  457.984   7.1610  1389.90   37.782  1357.29   43.015  1500.02   79.035  447.067   7.1000  468.901   12.438 -21.83386 14.32198 
1 1 1    0   14   20 o  407.294   6.7749  1130.34   32.235  1131.94   37.160  1125.47   64.792  408.310   6.7159  406.279   11.768 2.031158 13.54975 
1 1 1    0   14   21 o  831.843   11.311  4669.44  108.789  4601.62  124.371  4890.36  224.469  821.706   11.169  841.979   19.673 -20.27319 22.62258 
1 1 1    0   14   22 o  357.117   6.3392  868.762   26.460  870.058   30.511  864.830   53.143  358.003   6.2890  356.230   11.009 1.772369 12.67845 
1 1 1    0   14   23 o   99.911   6.6988   70.688   7.8049   73.611   9.0881   62.472   15.235  104.124   6.4408   95.697   11.748 8.427582 13.39769 
1 1 1    0   14   24 o  120.485   6.0866  103.042   8.5094  107.513   9.8904   90.302   16.696  125.859   5.7989  115.112   10.703 10.74775 12.17313 
1 1 1    0   14   25 o  136.080   5.8902  126.938   9.4049  127.973   10.884  123.886   18.687  137.308   5.8493  134.852   10.226 2.456024 11.78041 
1 1 1    0   14   26 o  549.344   10.006  2064.17   74.437  2003.93  102.916  2130.26  107.792  540.995   14.038  557.693   14.263 -16.69855 20.01253 
1 1 1    0   14   27 o  121.136   10.440  100.020   17.138  100.020   17.138   0.0000   0.0000  121.136   10.440  ?   ?       ?      ? 
1 1 1    0   14   28 o  152.783   6.1303  160.886   11.748  164.425   14.235  153.329   20.801  155.578   6.7519  149.988   10.234 5.590744 12.26061 
1 1 1    0   14   29 o  330.550   7.5368  744.682   33.746  716.936   47.060  774.054   48.419  324.206   10.711  336.895   10.606 -12.68912 15.07359 
1 1 1    0   14   30 o  712.720   12.255  3503.61  118.357  3488.02  166.826  3519.42  167.945  711.138   17.311  714.302   17.350 -3.164978 24.50919 
1 1 1    0   14   31 o  470.332   7.7607  1500.51   46.361  1483.03   56.319  1537.24   81.652  466.702   8.9050  473.962   12.713 -7.260254 15.52135 
1 1 1    0   14   32 f  114.279   6.1481   89.043   8.5011   89.204   9.9904   88.619   16.184  114.590   6.4336  113.967   10.479 0.6226044 12.29619 
1 1 1    0   14   33 o   53.654   8.5076   25.155   6.5612   34.719   7.7872   1.7502   12.182   71.432   8.0447   35.876   14.993 35.55574 17.01524 
1 1 1    0   14   34 o  287.002   5.8225  556.195   19.625  551.760   22.631  569.643   39.409  285.035   5.8591  288.969   10.064 -3.934082 11.64504 
1 1 1    0   14   35 f  105.824   6.0803   70.568   7.8709   63.916   9.1352   89.732   15.506   96.962   6.9524  114.685   9.9773 -17.72226 12.16067 
1 1 1    0   14   36 o  134.432   5.7521  121.886   9.2213  120.643   10.714  125.439   18.111  133.270   5.9325  135.594   9.8565 -2.324814 11.50418 
1 1 1    0   14   37 o  153.935   5.7684  160.949   12.033  160.949   12.033   0.0000   0.0000  153.935   5.7684  ?   ?       ?      ? 
1 1 1    0   14   38 o   41.118   8.3360   11.952   6.2963   20.853   7.4482 -10.3372   11.786   54.349   10.493   27.887   12.956 26.46242 16.67193 
1 1 1    0   14   39 o  137.989   5.6142  126.321   9.4784  122.132   11.126  137.404   18.099  134.062   6.1243  141.916   9.4111 -7.854248 11.22834 
1 1 1    0   14   40 o  138.405   5.1109  130.526   9.5719  124.542   13.681  136.264   13.397  135.274   7.4631  141.536   6.9847 -6.262085 10.22178 
1 1 1    0   14   41 o  119.763   5.5727   95.988   8.8758  126.070   13.469   72.895   11.801  136.106   7.3023  103.421   8.4201 32.68510 11.14548 
1 1 1    0   14   42 o  262.352   6.0187  471.836   20.224  461.115   34.625  477.387   24.916  259.809   9.8346  264.895   6.9411 -5.085724 12.03738 
1 1 1    0   14   43 o  156.153   5.9538  167.875   11.798  161.501   20.485  171.038   14.432  153.738   9.8327  158.568   6.7163 -4.829254 11.90758 
1 1 1    0   14   44 o  110.491   5.5697   84.432   8.2104   70.337   11.936   97.091   11.312  101.541   8.6744  119.441   6.9886 -17.90021 11.13935 
1 1 1    0   14   45 o   86.149   6.3431   52.060   7.1895   39.584   10.496   63.090   9.8683   76.063   10.182   96.235   7.5670 -20.17239 12.68624 
1 1 1    0   14   46 o   49.897   8.9302   17.211   6.1370   23.903   9.2919   12.033   8.1734   57.910   12.224   41.884   13.022 16.02622 17.86031 
1 1 1    0   14   47 o   54.241   8.7289   20.219   6.2713   27.839   9.7932   14.922   8.1650   62.628   11.976   45.854   12.703 16.77357 17.45785 
1 1 1    0   14   48 o  118.746   5.4740   94.401   8.7247  110.351   13.501   82.965   11.432  127.191   7.8332  110.302   7.6483 16.88890 10.94791 
1 1 1    0   14   49 o  178.718   7.2012  217.373   17.346  234.610   26.244  204.003   23.113  184.900   10.474  172.537   9.8855 12.36313 14.40247 
1 1 1    0   14   50 o  138.855   6.7134  139.237   11.558  112.930   19.877  152.676   14.207  128.057   11.454  149.653   7.0056 -21.59535 13.42675 
1 1 1    0   14   51 o   76.071   7.1369   39.031   7.2353   50.548   10.992   30.225   9.6113   85.860   9.4469   66.282   10.700 19.57766 14.27384 
1 1 1    0   14   52 o  194.326   4.9014  257.904   12.891  251.185   18.540  264.194   17.937  191.834   7.1320  196.818   6.7252 -4.984619 9.802699 
1 1 1    0   14   53 o  199.837   4.8926  272.838   13.233  267.484   19.086  277.793   18.363  197.904   7.1168  201.769   6.7158 -3.864700 9.785213 
1 1 1    0   14   54 o   51.145   9.1538   19.077   6.3227   17.341   9.7210   20.350   8.3241   49.120   13.951   53.169   11.855 -4.048424 18.30761 
1 1 1    0   14   55 o   37.867   10.117   6.4406   7.1064   2.7187   9.1373   12.138   11.305   32.048   13.150   43.686   15.379 -11.63788 20.23428 
1 1 1    0   14   56 o   89.368   6.4418   56.314   7.6100   46.213   11.359   64.540   10.251   81.729   10.256   97.007   7.7976 -15.27885 12.88353 
1 1 1    0   14   57 o   60.267   8.4972   27.858   6.6513   16.465   10.171   36.372   8.7921   47.897   14.458   72.637   8.9321 -24.73993 16.99444 
1 1 1    0   14   58 o  106.340   6.6992   77.589   9.4600   75.019   12.132   81.574   15.109  104.313   8.5826  108.368   10.289 -4.054619 13.39836 
1 1 1    0   14   59 o   37.634   8.9668   5.3568   7.0078   18.529   9.3707 -11.3584   10.556   50.245   13.482   25.024   11.826 25.22094 17.93358 
1 1 1    0   14   60 o   81.591   6.6409   45.961   7.3203   50.049   10.872   42.571   9.9012   84.877   9.4521   78.305   9.3307 6.572357 13.28172 
1 1 1    0   14   61 o   40.206   9.4848   11.078   6.0063   11.426   9.2801   10.828   7.8792   40.988   13.957   39.424   12.847 1.564117 18.96954 
1 1 1    0   14   62 o   93.607   5.9863   60.628   7.5563   62.580   11.331   59.064   10.140   94.867   8.8140   92.347   8.1029 2.520767 11.97263 
1 1 1    0   14   63 o   46.914   9.3326   16.140   6.1275   17.964   9.4431   14.813   8.0532   49.040   13.688   44.788   12.690 4.251507 18.66516 
1 1 1    0   14   64 o   50.911   10.379   18.283   6.9586   23.144   13.275   16.442   8.1712   54.863   16.508   46.960   12.585 7.903267 20.75817 
1 1 1    0   14   65 o  119.963   7.1491  106.636   10.371   90.175   18.726  113.919   12.456  111.691   12.372  128.235   7.1676 -16.54321 14.29816 
1 1 1    0   14   66 o   85.734   8.6152   51.557   10.009   0.0000   0.0000   51.557   10.009  ?   ?    85.734   8.6152      ?      ? 
1 1 1    0   14   67 o   77.153   8.1619   40.894   7.9392   49.360   14.613   37.348   9.4566   81.770   13.188   72.536   9.6205 9.234047 16.32390 
1 1 1    0   14   68 o   34.409   9.8706   4.4643   6.6249   8.9149   12.272   2.6337   7.8703   39.543   15.577   29.275   12.127 10.26815 19.74119 
1 1 1    0   14   69 o   35.298   10.377   4.4613   8.2145   2.2956   11.360   6.8352   11.893   33.282   14.218   37.314   15.119 -4.032654 20.75412 
1 1 1    0   14   70 o   78.160   10.136   47.864   10.341   59.017   14.600   36.635   14.650   89.320   12.062   67.001   16.292 22.31889 20.27123 
1 1 1    0   14   71 o   38.843   10.492   5.7842   8.6472  -5.9069   11.799   19.350   12.710   28.605   13.174   49.082   16.333 -20.47638 20.98356 
1 1 1    0   14   72 o   30.991   9.7111  -1.0296   8.1478   1.7238   11.490  -3.8149   11.556   32.666   14.131   29.315   13.324 3.350967 19.42229 
1 1 1    0   14   73 f   36.417   10.214   5.5810   8.1878   14.403   11.357  -3.9648   11.815   43.364   15.398   29.469   13.424 13.89486 20.42834 
1 1 1    0   14   74 o   36.898   10.599   7.3601   8.3120   8.6752   11.357   5.8432   12.198   37.715   14.944   36.081   15.035 1.633972 21.19848 
1 1 1    0   14   75 o   29.022   9.3867  -4.2589   8.2975  -2.3309   11.335  -6.4844   12.179   29.599   13.349   28.445   13.200 1.153419 18.77348 
1 1 1    0   14   76 f   46.930   11.593   17.222   9.2098   11.183   12.140   25.412   14.136   40.032   15.573   53.827   17.178 -13.79553 23.18643 
1 1 1    0   14   77 o   65.483   14.775   35.665   12.799   35.665   12.799   0.0000   0.0000   65.483   14.775  ?   ?       ?      ? 
1 1 1    0   14   78 f   34.562   14.259   6.3446   10.816   6.3446   10.816   0.0000   0.0000   34.562   14.259  ?   ?       ?      ? 
1 1 1    0   14   79 o   50.246   11.221   19.866   9.1737   8.8362   11.854   36.338   14.486   37.025   15.060   63.467   16.639 -26.44154 22.44232 
1 1 1    0   14   80 o   46.814   11.179   16.776   9.1776   5.4152   11.966   33.002   14.302   34.182   14.598   59.446   16.935 -25.26398 22.35804 
1 1 1    0   14   81 o   44.008   11.276   15.161   9.1691   5.6707   12.022   28.356   14.176   34.039   14.587   53.978   17.200 -19.93945 22.55231 
1 1 1    0   14   82 o   35.936   10.710   6.5094   9.1557  -0.9970   12.218   16.124   13.827   29.786   13.601   42.087   16.549 -12.30082 21.42053 
1 1 1    0   14   83 o   55.691   17.932   33.140   15.379   0.0000   0.0000   33.140   15.379  ?   ?    55.691   17.932      ?      ? 
1 1 1    0   14   84 o   28.440   9.3693  -4.4126   8.8893 -11.5740   12.037   4.1786   13.184   24.402   11.817   32.479   14.543 -8.077223 18.73850 
1 1 1    0   15    1 o   67.714   7.3152   30.971   6.6652   29.250   8.8234   33.258   10.172   65.554   9.9323   69.874   10.742 -4.319916 14.63048 
1 1 1    0   15    2 o  346.119   5.4037  814.186   25.335  825.319   35.461  802.580   36.207  348.553   7.5076  343.685   7.7742 4.867523 10.80747 
1 1 1    0   15    3 o  146.660   6.3811  153.692   11.427  165.177   13.789  128.518   20.415  155.980   6.5234  137.340   10.969 18.64041 12.76218 
1 1 1    0   15    4 o  153.478   6.0672  155.777   11.481  149.964   13.535  170.689   21.679  148.614   6.7206  158.342   10.103 -9.727905 12.13446 
1 1 1    0   15    5 o  218.603   6.0075  320.644   16.302  314.499   19.391  335.457   30.106  215.221   6.6487  221.986   10.008 -6.765472 12.01505 
1 1 1    0   15    6 o  164.887   6.0131  181.163   12.242  176.142   14.477  193.765   22.935  161.066   6.6325  168.707   10.032 -7.640472 12.02616 
1 1 1    0   15    7 o  178.789   4.7993  217.717   11.578  225.492   15.837  208.789   16.970  182.249   6.4124  175.328   7.1423 6.920944 9.598531 
1 1 1    0   15    8 o   94.054   5.8770   60.880   7.3696   65.223   9.8105   55.255   11.165   97.984   7.3885   90.124   9.1416 7.859772 11.75405 
1 1 1    0   15    9 o  276.680   4.9911  520.212   18.691  525.918   25.886  513.996   27.016  278.284   6.8642  275.075   7.2476 3.208313 9.982216 
1 1 1    0   15   10 o  101.251   5.6347   70.399   7.6411   75.975   10.326   63.650   11.360  105.757   7.2050   96.745   8.6652 9.012001 11.26933 
1 1 1    0   15   11 o   65.127   7.2115   28.746   6.3264   27.671   8.4312   30.130   9.5705   63.755   9.7587   66.499   10.620 -2.744160 14.42302 
1 1 1    0   15   12 o   96.888   5.7474   63.429   7.5221   58.858   10.160   68.974   11.191   93.051   8.0570  100.724   8.1985 -7.673073 11.49483 
1 1 1    0   15   13 o  179.080   5.5421  215.775   11.373  213.882   12.961  222.110   23.711  177.538   5.3872  180.623   9.6869 -3.085602 11.08413 
1 1 1    0   15   14 o   60.300   8.6691   20.723   6.1128   15.513   6.9564   38.383   12.807   46.769   11.136   73.830   13.289 -27.06060 17.33826 
1 1 1    0   15   15 o  146.040   5.7447  141.215   9.5572  138.127   10.831  152.073   20.311  142.661   5.6026  149.419   10.031 -6.758224 11.48947 
1 1 1    0   15   16 o   86.131   7.1872   51.558   7.0596   52.463   8.0842   48.653   14.488   87.885   6.7880   84.378   12.671 3.507614 14.37450 
1 1 1    0   15   17 o   94.687   6.3753   53.792   7.2415   46.686   8.2643   77.286   15.027   82.886   7.3577  106.488   10.414 -23.60152 12.75066 
1 1 1    0   15   18 o  291.085   5.8570  575.830   19.863  575.394   22.856  577.177   40.153  291.141   5.7932  291.029   10.181 0.1119995 11.71393 
1 1 1    0   15   19 f  241.359   5.5596  383.449   15.563  372.244   17.749  420.714   32.367  234.182   5.5930  248.536   9.6103 -14.35316 11.11929 
1 1 1    0   15   20 o  188.091   5.4211  230.363   11.865  221.334   13.524  260.541   24.725  180.579   5.5266  195.604   9.3278 -15.02525 10.84210 
1 1 1    0   15   21 o  161.745   5.6704  181.483   10.740  185.159   12.456  170.832   21.202  165.158   5.5653  158.331   9.8815 6.827255 11.34089 
1 1 1    0   15   22 o  303.057   6.0113  634.711   21.315  644.622   24.682  605.634   42.276  308.121   5.9112  297.993   10.469 10.12802 12.02258 
1 1 1    0   15   23 o  174.581   5.4170  191.975   11.061  178.578   12.565  238.117   23.318  162.182   5.7171  186.980   9.2028 -24.79762 10.83404 
1 1 1    0   15   24 o  105.196   6.9867   75.965   9.4448   77.140   11.688   73.753   16.033  106.481   8.1000  103.910   11.386 2.571014 13.97335 
1 1 1    0   15   25 o  159.470   6.1038  176.135   12.555  183.628   15.719  162.931   20.866  164.362   7.0573  154.579   9.9610 9.783310 12.20761 
1 1 1    0   15   26 o  251.284   5.7793  442.928   17.096  457.456   19.950  402.779   33.166  259.562   5.6718  243.007   10.071 16.55504 11.55861 
1 1 1    0   15   27 o  125.659   6.0152  107.212   8.8609  106.917   10.222  108.101   17.772  125.465   6.0122  125.853   10.420 -0.3879547 12.03049 
1 1 1    0   15   28 o  152.104   5.6719  157.005   10.105  156.564   11.653  158.342   20.295  151.842   5.6630  152.365   9.8292 -0.5232697 11.34381 
1 1 1    0   15   29 o   35.681   9.0520   0.7173   5.7591  -5.3150   6.7311   17.197   11.125   21.530   9.9280   49.831   15.139 -28.30062 18.10409 
1 1 1    0   15   30 o   80.563   7.6393   44.461   7.3093   44.587   8.5029   44.107   14.306   80.945   7.7517   80.182   13.166 0.7621536 15.27853 
1 1 1    0   15   31 o  160.641   6.0793  171.807   12.659  162.800   15.577  189.328   21.726  154.692   7.4306  166.591   9.6238 -11.89902 12.15858 
1 1 1    0   15   32 o  201.967   7.0759  277.432   19.366  277.432   19.366   0.0000   0.0000  201.967   7.0759  ?   ?       ?      ? 
1 1 1    0   15   33 o  180.642   5.7282  221.663   14.022  221.663   14.022   0.0000   0.0000  180.642   5.7282  ?   ?       ?      ? 
1 1 1    0   15   34 o   32.421   9.4693   2.6319   6.4269   4.6851   7.5596  -2.7216   12.207   32.063   12.340   32.779   14.366 -0.7160416 18.93859 
1 1 1    0   15   35 o  117.331   6.7400   94.704   10.446   97.472   13.466   90.521   16.551  119.605   8.3083  115.058   10.615 4.546593 13.47997 
1 1 1    0   15   36 o   89.050   7.9226   50.898   9.2180   36.610   11.596   75.429   15.194   73.089   11.708  105.012   10.677 -31.92235 15.84511 
1 1 1    0   15   37 o   41.428   10.016   9.8779   7.5971   17.546   9.7355  -2.0619   12.149   49.762   13.901   33.094   14.423 16.66725 20.03142 
1 1 1    0   15   38 o  301.588   6.4593  631.012   25.061  655.437   31.254  587.035   41.938  310.267   7.4335  292.909   10.566 17.35818 12.91856 
1 1 1    0   15   39 f  229.891   5.7808  370.329   15.864  382.422   18.652  338.705   30.162  237.210   5.8024  222.572   10.000 14.63730 11.56158 
1 1 1    0   15   40 o  420.879   7.0054  1235.94   35.031  1264.17   40.981  1159.35   67.510  430.944   7.0174  410.814   12.127 20.13022 14.01071 
1 1 1    0   15   41 o  152.652   5.8012  154.115   10.797  148.251   12.632  170.012   20.798  147.630   6.3141  157.673   9.7338 -10.04247 11.60232 
1 1 1    0   15   42 o   74.857   8.6785   41.430   7.6232   44.633   9.1381   34.101   13.824   80.874   8.3380   68.840   15.223 12.03401 17.35704 
1 1 1    0   15   43 o  197.941   5.6342  268.058   13.425  268.982   15.738  265.589   25.728  198.880   5.8395  197.002   9.6373 1.877609 11.26844 
1 1 1    0   15   44 o   89.644   7.9774   58.094   9.1425   67.261   11.801   44.333   14.459   99.201   8.7786   80.087   13.323 19.11467 15.95472 
1 1 1    0   15   45 o  150.628   9.7262  155.479   19.853   0.0000   0.0000  155.479   19.853  ?   ?   150.628   9.7262      ?      ? 
1 1 1    0   15   46 o  187.595   4.9680  240.346   12.586  234.786   18.460  245.175   17.205  185.510   7.3431  189.680   6.6935 -4.170013 9.935970 
1 1 1    0   15   47 o   76.215   6.8116   39.285   6.9742   47.296   10.543   33.052   9.2999   83.050   9.3674   69.379   9.8916 13.67125 13.62324 
1 1 1    0   15   48 o   45.859   9.0957   15.288   6.2622   7.5441   9.5639   21.099   8.2852   37.446   14.000   54.272   11.616 -16.82549 18.19150 
1 1 1    0   15   49 o   89.636   6.1692   54.714   7.4388   58.151   11.352   52.127   9.8474   92.039   9.1020   87.234   8.3302 4.805092 12.33846 
1 1 1    0   15   50 o   70.471   7.1873   33.705   6.8093   39.146   10.433   29.667   8.9875   75.341   10.219   65.601   10.110 9.739983 14.37467 
1 1 1    0   15   51 o   97.374   7.1185   65.428   9.1935   65.373   11.850   65.509   14.571   97.507   8.9681   97.240   11.057 0.2666702 14.23700 
1 1 1    0   15   52 o   80.664   8.3533   42.544   8.5061   28.756   10.643   66.916   14.151   63.049   12.892   98.280   10.625 -35.23157 16.70652 
1 1 1    0   15   53 o   58.795   8.4467   26.512   6.6035   13.211   9.8143   37.515   8.9264   43.811   14.341   73.779   8.9281 -29.96804 16.89344 
1 1 1    0   15   54 o  131.337   5.2489  117.643   9.3126  130.180   13.790  107.132   12.627  137.737   7.3880  124.936   7.4580 12.80145 10.49781 
1 1 1    0   15   55 o  207.536   5.9919  294.648   16.074  288.961   19.860  305.448   27.368  205.193   7.1423  209.880   9.6227 -4.686874 11.98372 
1 1 1    0   15   56 o  115.302   6.6584   91.311   10.082   88.479   12.689   96.159   16.603  113.215   8.2707  117.388   10.437 -4.172836 13.31682 
1 1 1    0   15   57 o  101.743   7.1777   71.930   9.5752   70.855   12.071   73.754   15.725  101.097   8.8108  102.390   11.333 -1.292473 14.35540 
1 1 1    0   15   58 o   27.732   8.4085  -1.7614   5.7893   4.5457   8.9664  -6.2706   7.5814   33.132   13.231   22.331   10.380 10.80052 16.81692 
1 1 1    0   15   59 o   32.393   9.0736   4.5484   5.8095   5.4520   9.2513   3.9601   7.4650   34.281   13.518   30.505   12.107 3.775782 18.14711 
1 1 1    0   15   60 o  103.508   7.5015   76.267   9.2866   74.392   17.792   76.970   10.887  101.595   12.923  105.420   7.6211 -3.825256 15.00294 
1 1 1    0   15   61 o  179.458   6.3298  229.087   14.030  216.011   25.334  234.870   16.849  174.458   10.716  184.458   6.7407 -9.999680 12.65961 
1 1 1    0   15   62 o   65.417   9.8608   36.841   7.8803   21.029   14.879   43.005   9.2902   52.499   17.673   78.336   8.7515 -25.83679 19.72150 
1 1 1    0   15   63 f   31.522   12.323   4.9790   7.6308   0.0000   0.0000   4.9790   7.6308  ?   ?    31.522   12.323      ?      ? 
1 1 1    0   15   64 o  143.843   7.0632  143.852   13.768   0.0000   0.0000  143.852   13.768  ?   ?   143.843   7.0632      ?      ? 
1 1 1    0   15   65 o   70.863   9.3679   38.877   7.9222   35.400   14.543   40.345   9.4469   66.349   16.294   75.377   9.2484 -9.027725 18.73570 
1 1 1    0   15   66 o  106.458   8.2191   83.168   11.824   77.789   16.899   88.327   16.550  102.716   12.141  110.200   11.082 -7.483551 16.43819 
1 1 1    0   15   67 o   46.319   11.526   16.381   8.9825   17.842   13.001   15.047   12.425   47.775   16.511   44.864   16.087 2.911846 23.05214 
1 1 1    0   15   68 o   96.856   8.8319   70.275   11.349   54.076   15.715   87.932   16.408   84.167   13.778  109.545   11.053 -25.37809 17.66377 
1 1 1    0   15   69 o   58.005   10.500   26.011   9.4845   46.514   13.954   8.4071   12.930   77.076   13.870   38.933   15.768 38.14299 20.99996 
1 1 1    0   15   70 o   76.589   10.478   47.662   10.522   32.413   14.908   62.801   14.854   61.582   17.202   91.595   11.967 -30.01276 20.95516 
1 1 1    0   15   71 o   67.747   10.843   37.802   9.7682   43.829   13.853   31.840   13.777   74.045   14.323   61.449   16.283 12.59604 21.68614 
1 1 1    0   15   72 o   33.960   10.311   3.2153   8.5288   2.4637   11.959   3.9933   12.167   33.332   14.418   34.587   14.744 -1.255409 20.62205 
1 1 1    0   15   73 o   98.725   9.0166   74.875   11.984   64.739   16.587   85.946   17.334   91.093   13.437  106.358   12.027 -15.26494 18.03312 
1 1 1    0   15   74 o   29.892   9.5973  -3.1183   8.4769  -6.2914   11.667   0.4300   12.337   27.678   12.869   32.107   14.241 -4.429052 19.19452 
1 1 1    0   15   75 o   22.055   10.718 -14.2684   10.131 -14.2684   10.131   0.0000   0.0000   22.055   10.718  ?   ?       ?      ? 
1 1 1    0   15   76 o   33.408   14.177   4.7312   11.159   4.7312   11.159   0.0000   0.0000   33.408   14.177  ?   ?       ?      ? 
1 1 1    0   15   77 o   33.419   10.133   3.5528   8.6100   9.5923   11.382  -4.5272   13.165   37.160   14.883   29.678   13.755 7.481182 20.26575 
1 1 1    0   15   78 o   31.311   9.8798   0.9179   8.4782  -1.4015   11.352   3.8434   12.749   29.106   13.220   33.515   14.686 -4.409691 19.75956 
1 1 1    0   15   79 o   37.695   10.545   9.3168   8.8488   19.069   12.069  -2.0182   13.012   45.246   15.893   30.144   13.865 15.10194 21.09054 
1 1 1    0   15   80 o   73.270   10.765   48.347   10.788   27.884   14.417   74.381   16.262   51.929   17.397   94.611   12.684 -42.68164 21.52994 
1 1 1    0   15   81 o   41.468   16.659   16.843   14.306   0.0000   0.0000   16.843   14.306  ?   ?    41.468   16.659      ?      ? 
1 1 1    0   15   82 o   53.965   17.369   32.128   14.429   0.0000   0.0000   32.128   14.429  ?   ?    53.965   17.369      ?      ? 
1 1 1    0   16    0 o  160.103   7.2503  173.307   15.681  163.063   21.176  185.747   23.334  154.900   10.088  165.307   10.416 -10.40700 14.50068 
1 1 1    0   16    1 o  364.685   5.5991  903.497   27.638  885.616   38.030  923.515   40.237  360.888   7.7762  368.481   8.0579 -7.592621 11.19823 
1 1 1    0   16    2 o  104.008   5.9789   74.258   8.3350   79.188   11.235   68.224   12.430  107.919   7.6826  100.096   9.1634 7.823135 11.95789 
1 1 1    0   16    3 o  239.810   4.9487  390.969   16.053  393.851   22.093  387.745   23.365  240.769   6.7712  238.851   7.2188 1.917740 9.897492 
1 1 1    0   16    4 o  186.612   5.0570  235.437   12.729  224.619   17.054  249.048   19.129  181.815   6.9216  191.410   7.3746 -9.594955 10.11399 
1 1 1    0   16    5 o  535.428   8.5755  1968.10   58.405  1984.84   71.415  1934.28  101.490  539.702   9.7646  531.154   14.100 8.547485 17.15101 
1 1 1    0   16    6 o  114.174   6.8867   81.386   9.7886   71.447   11.464  108.132   18.806  102.478   8.2551  125.870   11.025 -23.39213 13.77333 
1 1 1    0   16    7 o  277.677   6.2368  523.557   21.772  521.325   26.253  528.472   38.962  276.973   6.9946  278.381   10.328 -1.408325 12.47370 
1 1 1    0   16    8 o  139.328   6.2408  127.029   10.801  119.944   12.756  144.979   20.303  132.846   7.0857  145.810   10.275 -12.96329 12.48165 
1 1 1    0   16    9 o  158.452   6.0116  164.496   11.867  155.443   14.048  187.054   22.176  151.246   6.8539  165.658   9.8783 -14.41144 12.02316 
1 1 1    0   16   10 o   72.047   8.8987   33.981   7.8176   30.885   9.2381   41.790   14.673   67.301   10.129   76.794   14.634 -9.492554 17.79743 
1 1 1    0   16   11 o  181.400   6.0901  229.970   13.763  240.145   16.694  208.373   24.321  188.009   6.5522  174.791   10.268 13.21808 12.18024 
1 1 1    0   16   12 o  117.469   6.6311   90.995   9.7384   86.524   11.574  101.835   18.022  112.799   7.5714  122.139   10.888 -9.339188 13.26210 
1 1 1    0   16   13 o  110.032   6.9147   83.554   9.5079   85.249   11.483   79.858   16.956  111.963   7.5683  108.102   11.575 3.861633 13.82941 
1 1 1    0   16   14 o  180.964   6.1110  225.802   13.883  230.746   16.835  215.294   24.543  184.270   6.7419  177.658   10.194 6.611435 12.22207 
1 1 1    0   16   15 f  313.015   6.4712  669.232   25.604  672.340   31.092  662.682   45.134  314.458   7.2963  311.571   10.690 2.886627 12.94234 
1 1 1    0   16   16 o   42.964   10.391   11.914   7.2499   14.528   8.7721   6.2804   12.878   45.623   13.343   40.305   15.932 5.317642 20.78118 
1 1 1    0   16   17 o  389.738   7.1004  1034.57   35.155  1031.53   42.803  1040.86   61.623  389.317   8.1132  390.160   11.655 -0.8428955 14.20086 
1 1 1    0   16   18 o  187.273   7.1671  239.099   18.177  251.244   26.090  227.643   25.340  191.903   10.033  182.642   10.238 9.261490 14.33418 
1 1 1    0   16   19 o   80.999   10.127   46.271   10.756   38.413   15.322   53.906   15.104   73.287   15.886   88.711   12.564 -15.42377 20.25375 
1 1 1    0   16   20 o  176.135   6.0676  208.335   13.512  203.256   16.296  219.508   24.171  172.904   6.9549  179.365   9.9444 -6.461166 12.13513 
1 1 1    0   16   21 f  173.503   6.0862  205.058   13.376  205.066   16.255  205.040   23.544  173.672   6.9066  173.333   10.023 0.3381195 12.17246 
1 1 1    0   16   22 o  229.213   6.0785  359.398   17.628  362.130   21.439  353.697   30.971  230.787   6.8550  227.639   10.040 3.148514 12.15691 
1 1 1    0   16   23 o  113.660   6.9708   91.350   9.9577   97.634   12.257   79.149   17.078  119.786   7.5506  107.533   11.720 12.25307 13.94156 
1 1 1    0   16   24 o  148.143   6.1055  142.854   11.530  131.140   13.860  169.179   20.778  138.836   7.3671  157.451   9.7382 -18.61510 12.21093 
1 1 1    0   16   25 o   43.880   10.398   12.721   7.2425   14.969   8.8842   8.2664   12.505   46.208   13.404   41.551   15.901 4.656845 20.79632 
1 1 1    0   16   26 o  192.538   6.0558  251.129   14.807  248.375   17.987  256.922   26.082  191.098   6.9457  193.978   9.9221 -2.879730 12.11159 
1 1 1    0   16   27 o   65.535   12.598   30.432   10.781   30.432   10.781   0.0000   0.0000   65.535   12.598  ?   ?       ?      ? 
1 1 1    0   16   28 o  221.765   7.1089  334.600   21.364  334.600   21.364   0.0000   0.0000  221.765   7.1089  ?   ?       ?      ? 
1 1 1    0   16   29 o  178.430   6.1947  214.195   14.304  207.627   17.642  226.795   24.436  174.648   7.4541  182.212   9.8962 -7.563843 12.38947 
1 1 1    0   16   30 o   97.672   6.6148   54.193   7.8305   42.354   8.9508   92.805   16.165   78.828   8.3792  116.515   10.238 -37.68761 13.22969 
1 1 1    0   16   31 o   65.627   9.1871   29.437   7.0561   28.651   8.1539   31.782   14.080   64.785   9.2877   66.469   15.854 -1.684151 18.37411 
1 1 1    0   16   32 o  180.279   5.5192  206.873   11.710  193.524   13.356  251.238   24.347  168.746   5.8404  191.812   9.3668 -23.06677 11.03844 
1 1 1    0   16   33 o   52.566   10.022   17.950   6.6672   15.684   7.7759   24.240   12.956   46.925   12.137   58.207   15.951 -11.28286 20.04379 
1 1 1    0   16   34 o   96.089   7.1794   65.334   8.1271   67.768   9.5035   58.708   15.678   99.776   7.0287   92.403   12.521 7.373558 14.35876 
1 1 1    0   16   35 o   46.417   10.223   14.944   6.7429   15.917   7.9207   12.384   12.851   47.249   12.264   45.584   16.359 1.665150 20.44539 
1 1 1    0   16   36 o   67.152   9.2871   31.322   7.4848   30.857   8.8094   32.532   14.193   67.165   9.6787   67.138   15.853 0.2722931E-01 18.57412 
1 1 1    0   16   37 o   90.962   8.5019   57.904   10.042   60.714   12.705   53.227   16.393   94.169   9.9558   87.756   13.784 6.412735 17.00371 
1 1 1    0   16   38 o  391.522   8.4506  1046.83   44.836  1046.83   44.836   0.0000   0.0000  391.522   8.4506  ?   ?       ?      ? 
1 1 1    0   16   39 o   63.400   10.274   28.031   7.9396   26.979   9.3276   30.796   15.127   61.658   11.589   65.143   16.968 -3.484852 20.54753 
1 1 1    0   16   40 o   64.342   11.522   29.479   10.113   37.259   15.152   23.228   13.582   71.707   15.999   56.978   16.586 14.72927 23.04463 
1 1 1    0   16   41 o  102.202   7.8385   73.439   10.562   80.443   13.877   63.797   16.282  108.336   9.4526   96.068   12.507 12.26868 15.67705 
1 1 1    0   16   42 o  217.882   5.8279  326.960   15.196  329.639   17.777  319.691   29.280  220.031   5.9620  215.732   10.016 4.299011 11.65576 
1 1 1    0   16   43 o   57.030   9.8106   24.490   7.3790   27.589   8.8840   17.598   13.251   63.314   10.354   50.746   16.667 12.56820 19.62116 
1 1 1    0   16   44 f  125.283   6.3495  109.124   9.6568  111.013   11.424  104.396   18.075  127.565   6.6085  123.000   10.844 4.564751 12.69894 
1 1 1    0   16   45 o   86.087   8.4245   56.532   8.2534   62.628   9.8775   42.431   15.023   95.677   7.6183   76.496   15.028 19.18079 16.84910 
1 1 1    0   16   46 o  114.984   6.9254   96.963   9.5699  105.544   11.500   77.639   17.258  124.289   6.8277  105.678   12.051 18.61104 13.85074 
1 1 1    0   16   47 o  213.191   6.0137  310.095   17.374  310.095   17.374   0.0000   0.0000  213.191   6.0137  ?   ?       ?      ? 
1 1 1    0   16   48 o   86.242   8.5702   51.159   10.016   51.159   10.016   0.0000   0.0000   86.242   8.5702  ?   ?       ?      ? 
1 1 1    0   16   49 o   86.430   7.8119   50.370   8.8080   46.378   10.884   57.946   14.994   81.864   9.8110   90.997   12.159 -9.132568 15.62376 
1 1 1    0   16   50 o  153.712   5.0228  162.035   10.451  161.749   15.134  162.296   14.449  153.538   7.2737  153.887   6.9288 -0.3484192 10.04566 
1 1 1    0   16   51 o   59.686   8.4349   25.054   6.6783   33.086   10.051   18.705   8.9359   68.857   10.772   50.514   12.983 18.34333 16.86988 
1 1 1    0   16   52 o   63.844   9.6171   29.520   7.9072   27.708   10.086   32.410   12.736   61.619   12.507   66.069   14.613 -4.449848 19.23425 
1 1 1    0   16   53 o  103.823   7.2298   77.381   9.7255   83.816   12.425   67.202   15.627  110.081   8.3291   97.565   11.820 12.51608 14.45956 
1 1 1    0   16   54 o   92.973   6.0408   60.144   7.5412   58.429   11.364   61.494   10.081   91.626   9.1521   94.320   7.8871 -2.694656 12.08166 
1 1 1    0   16   55 o   49.157   9.2450   17.903   6.2056   18.172   9.6354   17.712   8.1121   49.381   13.842   48.932   12.259 0.4489250 18.49005 
1 1 1    0   16   56 o  129.811   5.2232  116.654   9.1352  115.312   13.623  117.751   12.314  128.984   7.7936  130.639   6.9560 -1.655182 10.44640 
1 1 1    0   16   57 o  160.017   6.4294  176.926   12.542  184.951   23.775  173.831   14.764  161.377   10.872  158.656   6.8670 2.721008 12.85873 
1 1 1    0   16   58 o  110.318   7.2557   88.339   9.6467   81.352   17.963   91.170   11.436  105.994   12.506  114.642   7.3610 -8.647659 14.51136 
1 1 1    0   16   59 o   65.446   9.7066   32.204   7.5738   31.867   14.706   32.326   8.8357   63.293   16.848   67.600   9.6453 -4.307373 19.41323 
1 1 1    0   16   60 o   47.974   12.226   17.388   7.9717   0.0000   0.0000   17.388   7.9717  ?   ?    47.974   12.226      ?      ? 
1 1 1    0   16   61 o   28.296   11.844   1.9593   7.6187   0.0000   0.0000   1.9593   7.6187  ?   ?    28.296   11.844      ?      ? 
1 1 1    0   16   62 o   32.838   8.7375   4.7035   6.4292 -16.3086   12.601   12.098   7.4754   25.454   12.268   40.223   12.445 -14.76876 17.47494 
1 1 1    0   16   63 o   41.831   11.230   11.738   8.7657   11.796   12.801   11.686   12.029   42.103   16.093   41.559   15.668 0.5437317 22.46056 
1 1 1    0   16   64 o   45.533   10.411   11.228   8.8024   30.772   13.332  -3.8735   11.720   61.427   15.895   29.638   13.451 31.78920 20.82207 
1 1 1    0   16   65 o   68.780   10.402   38.633   9.9328   19.738   14.044   57.545   14.050   49.453   17.156   88.107   11.768 -38.65373 20.80438 
1 1 1    0   16   66 o   30.366   9.5022  -2.8668   7.9881   5.1179   11.701  -9.8373   10.932   35.312   14.720   25.421   12.020 9.890482 19.00449 
1 1 1    0   16   67 o   29.822   9.4540  -2.0182   7.9261  -0.4047   11.114  -3.6882   11.307   30.687   13.569   28.957   13.168 1.730055 18.90798 
1 1 1    0   16   68 o   33.200   9.7288  -0.4020   8.1790 -13.6828   11.545   12.978   11.589   24.583   11.822   41.817   15.455 -17.23411 19.45755 
1 1 1    0   16   69 o   90.367   9.1720   63.439   10.764   51.019   15.082   76.331   15.366   79.585   14.520  101.148   11.210 -21.56237 18.34394 
1 1 1    0   16   70 o   33.678   9.8205   0.3206   8.2617   14.034   11.816 -12.7966   11.556   42.558   15.626   24.798   11.900 17.75999 19.64093 
1 1 1    0   16   71 o   41.605   11.065   13.160   8.5572   15.709   11.832   10.365   12.391   43.975   15.706   39.236   15.590 4.739250 22.12942 
1 1 1    0   16   72 o   87.712   8.9513   60.056   10.638   58.761   14.870   61.414   15.224   86.754   12.648   88.670   12.670 -1.916557 17.90257 
1 1 1    0   16   73 o   52.469   16.127   24.557   12.578   24.557   12.578   0.0000   0.0000   52.469   16.127  ?   ?       ?      ? 
1 1 1    0   16   74 o   72.487   14.390   44.375   13.637   44.375   13.637   0.0000   0.0000   72.487   14.390  ?   ?       ?      ? 
1 1 1    0   16   75 o   41.151   11.189   13.197   8.9173   7.6097   11.883   20.398   13.491   35.509   14.822   46.792   16.765 -11.28300 22.37710 
1 1 1    0   16   76 o   35.117   10.448   7.2738   8.6150   10.823   11.563   2.8464   12.915   37.531   15.012   32.703   14.535 4.828506 20.89578 
1 1 1    0   16   77 o   43.475   11.097   16.100   8.8846   7.0993   11.861   27.607   13.411   34.316   14.591   52.635   16.725 -18.31960 22.19480 
1 1 1    0   16   78 o   40.660   10.270   12.063   9.1374   28.366   12.274  -8.2042   13.685   53.822   15.796   27.498   13.128 26.32465 20.53930 
1 1 1    0   16   79 o   32.302   14.533   4.0232   13.338   0.0000   0.0000   4.0232   13.338  ?   ?    32.302   14.533      ?      ? 
1 1 1    0   17    1 o  419.315   6.0477  1197.98   34.348  1243.08   48.647  1153.14   48.504  427.226   8.4027  411.404   8.7002 15.82187 12.09541 
1 1 1    0   17    2 o  116.211   5.8533   92.167   9.1253   93.464   12.126   90.474   13.856  117.199   7.6352  115.223   8.8741 1.975281 11.70668 
1 1 1    0   17    3 o   85.740   6.7088   49.620   7.7282   46.434   10.164   53.987   11.899   82.535   9.0872   88.946   9.8719 -6.411613 13.41760 
1 1 1    0   17    4 o   60.243   8.8738   26.217   7.0093   29.946   9.1624   20.955   10.884   66.228   10.209   54.258   14.517 11.96992 17.74764 
1 1 1    0   17    5 o   50.696   9.4502   17.428   6.5967   12.905   8.5585   24.049   10.354   43.338   13.300   58.054   13.429 -14.71638 18.90048 
1 1 1    0   17    6 o   64.426   8.4331   29.086   7.0316   27.761   9.2697   30.883   10.791   62.778   11.312   66.074   12.510 -3.296562 16.86621 
1 1 1    0   17    7 o   97.322   6.1886   63.390   8.0886   54.808   10.653   75.070   12.429   89.683   8.7659  104.961   8.7380 -15.27830 12.37713 
1 1 1    0   17    8 o  207.205   5.0271  292.341   14.082  297.380   19.357  286.676   20.524  209.134   6.8302  205.276   7.3780 3.857681 10.05419 
1 1 1    0   17    9 o  384.980   5.7834  1009.63   30.154  1050.64   42.672  968.718   42.617  392.830   8.0160  377.129   8.3389 15.70105 11.56687 
1 1 1    0   17   10 o  142.999   6.5313  137.443   12.199  146.870   20.443  132.229   15.202  146.642   10.287  139.355   8.0499 7.286072 13.06252 
1 1 1    0   17   11 o   78.988   9.0691   44.188   9.1002   40.675   14.691   46.376   11.592   75.584   14.873   82.393   10.382 -6.809181 18.13829 
1 1 1    0   17   12 o  146.805   6.3727  143.089   12.198  160.840   20.729  133.686   15.086  153.485   9.9660  140.124   7.9450 13.36084 12.74534 
1 1 1    0   17   13 o  130.605   6.1613  109.361   9.2058  103.879   10.390  129.373   19.852  123.634   6.2017  137.576   10.648 -13.94130 12.32264 
1 1 1    0   17   14 o   39.636   10.332   7.1923   6.2840   5.6024   7.1015   12.929   13.490   32.543   12.084   46.729   16.761 -14.18606 20.66323 
1 1 1    0   17   15 o  168.484   5.7791  187.865   11.220  183.126   12.771  203.899   23.490  164.184   5.7399  172.784   10.032 -8.599731 11.55827 
1 1 1    0   17   16 o  132.563   6.3839  119.773   9.7678  119.708   11.193  119.983   20.004  132.712   6.2237  132.413   11.148 0.2996826 12.76779 
1 1 1    0   17   17 o  129.708   6.4141  107.306   9.7932  100.439   11.173  130.071   20.344  121.525   6.7845  137.891   10.887 -16.36540 12.82813 
1 1 1    0   17   18 o  156.314   6.5186  184.841   11.521  204.326   13.506  132.786   22.076  173.419   5.7472  139.210   11.702 34.20926 13.03728 
1 1 1    0   17   19 o  174.969   6.0517  213.607   12.320  218.557   14.259  199.027   24.473  179.343   5.8670  170.594   10.586 8.749130 12.10347 
1 1 1    0   17   20 f  169.050   5.9889  189.681   11.626  185.323   13.220  204.555   24.422  165.139   5.9074  172.961   10.420 -7.822296 11.97775 
1 1 1    0   17   21 o   39.046   12.607   10.182   7.5966   10.182   7.5966   0.0000   0.0000   39.046   12.607  ?   ?       ?      ? 
1 1 1    0   17   22 o   68.335   9.1360   31.869   8.4602   31.869   8.4602   0.0000   0.0000   68.335   9.1360  ?   ?       ?      ? 
1 1 1    0   17   23 o  328.429   6.1898  733.339   27.549  733.339   27.549   0.0000   0.0000  328.429   6.1898  ?   ?       ?      ? 
1 1 1    0   17   24 o   49.874   10.496   17.469   6.9905   18.259   8.0119   14.952   14.308   50.593   11.888   49.155   17.301 1.437912 20.99151 
1 1 1    0   17   25 o  166.519   5.8494  188.481   11.364  187.917   13.080  190.217   22.953  166.277   5.8048  166.761   10.157 -0.4836731 11.69876 
1 1 1    0   17   26 f   37.122   10.122   5.3953   6.4973   3.7507   7.5632   10.028   12.694   30.998   12.223   43.245   16.136 -12.24747 20.24322 
1 1 1    0   17   27 o   98.822   7.2464   71.977   8.2559   77.662   9.6772   56.774   15.825  106.830   6.6846   90.814   12.859 16.01578 14.49273 
1 1 1    0   17   28 o  143.066   6.1647  142.730   10.312  145.830   11.959  133.742   20.362  146.441   6.0260  139.691   10.756 6.750015 12.32940 
1 1 1    0   17   29 o  191.413   5.7716  247.861   12.953  245.799   14.926  254.149   26.071  190.137   5.7929  192.689   9.9843 -2.551468 11.54317 
1 1 1    0   17   30 o  217.911   5.7401  321.264   14.716  318.517   16.985  329.532   29.470  216.430   5.7913  219.391   9.9123 -2.960419 11.48011 
1 1 1    0   17   31 o   73.884   9.3569   42.980   7.8124   48.235   9.1963   29.355   14.809   84.072   8.0720   63.695   16.883 20.37666 18.71388 
1 1 1    0   17   32 o   94.531   7.3171   57.999   8.4300   54.136   9.8078   68.923   16.494   89.049   8.1275  100.013   12.170 -10.96336 14.63422 
1 1 1    0   17   33 o  256.082   6.0285  465.227   18.204  484.668   21.323  412.978   34.956  266.898   5.8956  245.265   10.517 21.63310 12.05709 
1 1 1    0   17   34 o  208.056   5.7369  291.436   14.187  286.900   16.435  304.691   28.097  205.326   5.9068  210.786   9.8365 -5.459793 11.47376 
1 1 1    0   17   35 o  113.083   7.7704   87.982   11.904   84.890   16.657   91.209   17.017  111.041   11.070  115.126   10.908 -4.085091 15.54075 
1 1 1    0   17   36 o   85.346   8.2986   49.292   9.4798   44.173   12.286   56.823   14.902   80.034   11.328   90.658   12.130 -10.62378 16.59727 
1 1 1    0   17   37 o   44.635   10.790   12.293   7.8516   8.7773   10.303   17.163   12.127   39.492   14.577   49.777   15.913 -10.28463 21.57988 
1 1 1    0   17   38 f   67.856   8.5108   27.690   7.0884   20.968   8.2735   46.242   13.745   54.071   11.636   81.642   12.423 -27.57127 17.02161 
1 1 1    0   17   39 o   73.816   8.9049   41.139   7.6773   44.823   9.1864   32.609   13.980   80.869   8.3827   66.764   15.714 14.10490 17.80985 
1 1 1    0   17   40 o  142.651   6.1640  142.611   10.540  146.179   12.402  133.329   20.002  146.384   6.2518  138.918   10.625 7.466080 12.32799 
1 1 1    0   17   41 o   65.802   9.2022   29.486   7.4044   26.678   8.8309   36.132   13.587   61.178   11.059   70.425   14.711 -9.247002 18.40446 
1 1 1    0   17   42 o  190.989   5.7759  246.443   13.353  241.696   15.624  259.305   25.719  188.173   6.1272  193.804   9.7930 -5.631180 11.55186 
1 1 1    0   17   43 o   82.178   11.481   47.024   12.786   47.024   12.786   0.0000   0.0000   82.178   11.481  ?   ?       ?      ? 
1 1 1    0   17   44 o  129.709   8.5466  115.864   15.023  115.864   15.023   0.0000   0.0000  129.709   8.5466  ?   ?       ?      ? 
1 1 1    0   17   45 o  155.146   6.3268  178.920   11.498  194.948   13.637  139.490   21.388  168.906   5.9578  141.386   11.163 27.51939 12.65355 
1 1 1    0   17   46 o  136.851   6.1022  131.576   10.136  134.615   12.014  124.069   18.881  140.235   6.3221  133.467   10.439 6.768646 12.20450 
1 1 1    0   17   47 o   64.252   9.4559   30.484   7.8035   32.151   9.7870   27.575   12.930   67.837   10.646   60.667   15.631 7.169731 18.91188 
1 1 1    0   17   48 o   71.666   8.5178   36.178   7.8440   34.323   9.8819   39.339   12.897   70.064   10.408   73.267   13.487 -3.203583 17.03556 
1 1 1    0   17   49 f   46.606   10.107   14.203   6.9997   9.0759   8.8049   23.007   11.538   37.843   13.545   55.369   15.004 -17.52633 20.21355 
1 1 1    0   17   50 o   52.727   9.5446   21.948   6.8426   25.590   8.4126   14.828   11.762   59.456   10.841   45.998   15.712 13.45762 19.08927 
1 1 1    0   17   51 o  111.612   6.4990   87.561   8.9699   88.440   10.735   85.530   16.327  113.245   6.9953  109.980   10.955 3.265236 12.99793 
1 1 1    0   17   52 o   46.572   10.168   15.248   6.8064   13.017   8.4084   19.489   11.592   42.311   13.216   50.834   15.456 -8.523159 20.33585 
1 1 1    0   17   53 o   27.471   8.8057  -4.7610   7.1263  -2.1139   10.075  -7.4111   10.081   29.047   12.878   25.894   12.014 3.152971 17.61136 
1 1 1    0   17   54 o   42.525   10.704   12.461   7.7908   14.050   10.356   10.390   11.826   44.012   14.745   41.038   15.520 2.973839 21.40730 
1 1 1    0   17   55 o   71.324   10.697   40.158   10.152   29.879   15.194   48.446   13.644   61.016   17.480   81.631   12.334 -20.61530 21.39345 
1 1 1    0   17   56 o   33.769   8.7269   5.7233   6.4095 -18.4248   13.334   12.980   7.3093   25.864   12.504   41.674   12.178 -15.80978 17.45389 
1 1 1    0   17   57 o   53.499   11.734   21.538   8.2727   0.0000   0.0000   21.538   8.2727  ?   ?    53.499   11.734      ?      ? 
1 1 1    0   17   58 o   35.818   12.752   8.7054   7.7946   0.0000   0.0000   8.7054   7.7946  ?   ?    35.818   12.752      ?      ? 
1 1 1    0   17   59 o   42.051   9.6740   9.5237   8.3779 -11.9794   12.852   25.413   11.048   27.371   12.969   56.731   14.358 -29.35969 19.34800 
1 1 1    0   17   60 o   40.424   10.914   10.550   8.5784   4.5783   13.410   14.687   11.161   36.792   15.573   44.056   15.294 -7.263725 21.82717 
1 1 1    0   17   61 o   49.621   11.043   20.070   8.8693   10.657   13.631   26.981   11.680   41.329   16.374   57.913   14.821 -16.58453 22.08513 
1 1 1    0   17   62 o   59.001   10.314   28.922   9.2573   12.445   13.785   42.456   12.493   42.706   16.600   75.296   12.244 -32.58938 20.62734 
1 1 1    0   17   63 f   58.364   11.080   28.437   9.1691   21.387   13.179   35.051   12.765   50.759   16.619   65.970   14.659 -15.21103 22.16067 
1 1 1    0   17   64 o   30.306   9.5250  -1.0205   7.8795  -3.2163   11.295   1.0614   10.998   29.152   13.220   31.460   13.716 -2.308178 19.04998 
1 1 1    0   17   65 o   39.055   10.298   7.3927   8.3979   20.323   11.985  -5.0793   11.771   49.441   15.821   28.669   13.186 20.77171 20.59595 
1 1 1    0   17   66 o   60.270   11.242   30.763   9.3578   27.122   13.109   34.546   13.362   56.276   16.270   64.263   15.519 -7.986740 22.48433 
1 1 1    0   17   67 o   54.262   10.030   23.225   8.9709   4.4401   12.501   43.167   12.881   34.927   14.919   73.597   13.409 -38.66972 20.05907 
1 1 1    0   17   68 o   63.033   10.099   32.766   9.3192   14.784   12.835   52.815   13.553   43.144   16.201   82.922   12.061 -39.77765 20.19750 
1 1 1    0   17   69 o   25.451   8.5003  -8.6479   7.7003 -10.9409   10.723  -6.2067   11.065   24.153   11.556   26.749   12.469 -2.595110 17.00068 
1 1 1    0   17   70 o   31.184   9.7922   0.7980   8.2790   1.9211   11.348  -0.4800   12.105   31.538   13.836   30.830   13.860 0.7080479 19.58437 
1 1 1    0   17   71 o   70.739   15.060   43.290   13.994   43.290   13.994   0.0000   0.0000   70.739   15.060  ?   ?       ?      ? 
1 1 1    0   17   72 o   21.249   10.412 -15.6565   10.146 -15.6565   10.146   0.0000   0.0000   21.249   10.412  ?   ?       ?      ? 
1 1 1    0   17   73 o   60.485   11.439   35.553   10.182   46.771   14.051   23.154   14.773   72.876   14.735   48.094   17.500 24.78164 22.87759 
1 1 1    0   17   74 o   46.397   11.512   21.009   9.3110   27.254   13.001   14.433   13.341   52.507   16.439   40.286   16.121 12.22098 23.02450 
1 1 1    0   17   75 o   39.916   11.004   13.411   9.0058   5.3663   12.280   22.774   13.248   32.885   14.411   46.946   16.635 -14.06110 22.00887 
1 1 1    0   17   76 o   41.608   11.454   17.343   9.4608   12.255   13.162   22.782   13.609   37.343   15.594   45.873   16.781 -8.530029 22.90749 
1 1 1    0   18    0 o  495.009   13.562  1673.66   90.972   0.0000   0.0000  1673.66   90.972  ?   ?   495.009   13.562      ?      ? 
1 1 1    0   18    1 o   97.219   8.5570   68.055   10.650   52.845   16.916   78.043   13.708   87.535   14.260  106.903   9.4621 -19.36782 17.11404 
1 1 1    0   18    2 o   54.005   11.362   20.665   8.9255   17.893   13.873   22.623   11.659   51.762   17.056   56.249   15.015 -4.487434 22.72340 
1 1 1    0   18    3 o  241.527   6.2387  393.463   19.577  413.694   33.098  382.578   24.279  246.030   9.9274  237.025   7.5587 9.004822 12.47749 
1 1 1    0   18    4 f  158.104   6.4391  166.971   13.294  184.010   22.425  157.737   16.508  164.060   10.087  152.148   8.0068 11.91243 12.87813 
1 1 1    0   18    5 o   85.792   7.8607   54.545   8.2143   72.002   11.131   33.672   12.172  102.795   7.9909   68.790   13.539 34.00526 15.72145 
1 1 1    0   18    6 o   45.476   9.4562   11.586   6.9419   1.9893   9.0542   25.273   10.813   31.531   13.030   59.422   13.707 -27.89146 18.91230 
1 1 1    0   18    7 o  136.502   5.5345  128.192   10.127  138.666   13.737  115.724   14.988  142.735   7.1019  130.269   8.4903 12.46626 11.06894 
1 1 1    0   18    8 o   37.987   10.034   7.1048   6.8992   4.7732   8.9976   10.432   10.748   34.086   13.366   41.888   14.968 -7.802193 20.06746 
1 1 1    0   18    9 o  153.728   5.3172  161.508   11.024  167.883   15.062  154.152   16.178  157.052   7.0770  150.405   7.9376 6.647110 10.63434 
1 1 1    0   18   10 o  174.458   5.1759  206.422   12.194  198.087   16.452  216.584   18.166  170.588   7.1169  178.327   7.5172 -7.739243 10.35172 
1 1 1    0   18   11 o   83.657   7.4980   49.708   8.1784   59.903   11.023   37.224   12.198   93.701   8.6809   73.614   12.228 20.08691 14.99605 
1 1 1    0   18   12 o  246.518   5.1990  414.739   17.321  429.292   23.910  398.666   25.128  251.133   7.0258  241.903   7.6652 9.229126 10.39797 
1 1 1    0   18   13 o  211.258   6.0096  306.715   14.390  308.619   16.388  300.306   30.068  213.096   5.6751  209.420   10.595 3.676361 12.01919 
1 1 1    0   18   14 o  101.734   6.8354   70.440   9.4236   70.440   9.4236   0.0000   0.0000  101.734   6.8354  ?   ?       ?      ? 
1 1 1    0   18   15 o   48.495   11.572   16.780   7.4990   16.780   7.4990   0.0000   0.0000   48.495   11.572  ?   ?       ?      ? 
1 1 1    0   18   16 o   32.244   12.138   5.2782   7.2136   5.2782   7.2136   0.0000   0.0000   32.244   12.138  ?   ?       ?      ? 
1 1 1    0   18   17 o   84.833   9.4200   59.570   8.0057   66.349   9.1062   36.498   16.800   98.726   6.8064   70.940   17.568 27.78686 18.84008 
1 1 1    0   18   18 o   41.945   9.6092   12.565   6.6486   17.145   7.5312  -3.6112   14.154   49.006   11.533   34.883   15.374 14.12336 19.21841 
1 1 1    0   18   19 o   38.497   8.6568   9.2975   6.5658   17.618   7.4904 -18.3005   13.642   49.688   11.370   27.306   13.057 22.38188 17.31353 
1 1 1    0   18   20 o   91.938   7.2989   51.987   7.8527   46.894   8.8846   70.172   16.788   82.916   7.9071  100.959   12.271 -18.04320 14.59776 
1 1 1    0   18   21 o   81.781   7.8866   39.975   7.5779   34.844   8.5577   58.614   16.310   71.407   8.8436   92.154   13.061 -20.74675 15.77315 
1 1 1    0   18   22 o  138.616   6.1990  122.947   9.9373  115.935   11.257  147.714   21.154  130.511   6.3647  146.721   10.640 -16.21065 12.39795 
1 1 1    0   18   23 o   91.090   8.0057   58.764   8.3053   60.335   9.5356   53.830   16.904   94.061   7.4809   88.119   14.156 5.941978 16.01131 
1 1 1    0   18   24 o  270.503   5.9862  495.405   18.830  491.069   21.611  509.075   38.373  268.649   5.9363  272.357   10.397 -3.707367 11.97232 
1 1 1    0   18   25 o  110.008   7.0287   83.718   8.9915   84.428   10.367   81.561   18.066  111.303   6.8731  108.714   12.263 2.589470 14.05749 
1 1 1    0   18   26 f   40.710   9.5169   11.312   6.7092   16.548   7.7690  -4.0522   13.307   48.053   11.974   33.367   14.796 14.68614 19.03382 
1 1 1    0   18   27 o   41.651   10.275   11.095   6.7004   12.421   7.7501   7.1696   13.333   42.115   12.600   41.188   16.233 0.9269600 20.54909 
1 1 1    0   18   28 o  126.665   6.5045  112.912   9.5146  115.785   10.984  104.282   19.040  130.375   6.2173  122.955   11.427 7.419617 13.00896 
1 1 1    0   18   29 o   35.828   10.057   5.4683   6.6680   6.5367   7.6933   2.2424   13.369   34.243   12.603   37.414   15.677 -3.171009 20.11488 
1 1 1    0   18   30 o  123.625   8.0140  105.496   13.120   77.973   17.935  137.174   19.242  106.037   12.482  141.214   10.055 -35.17667 16.02798 
1 1 1    0   18   31 o  167.639   6.3949  188.891   13.918  179.612   17.173  206.649   23.758  162.034   7.8211  173.244   10.120 -11.21045 12.78986 
1 1 1    0   18   32 o  252.465   6.4234  439.522   20.843  443.440   25.765  432.103   35.457  254.652   7.4662  250.279   10.454 4.372635 12.84673 
1 1 1    0   18   33 o  142.254   6.1086  131.023   10.418  122.786   12.009  156.075   20.943  134.109   6.6079  150.398   10.276 -16.28981 12.21715 
1 1 1    0   18   34 o   53.075   10.064   22.144   7.3048   25.903   8.5977   12.386   13.851   60.302   10.923   45.847   16.905 14.45511 20.12730 
1 1 1    0   18   35 o  135.988   6.5693  136.867   10.450  148.554   12.364  107.649   19.549  147.528   6.1845  124.448   11.592 23.08018 13.13864 
1 1 1    0   18   36 o  147.086   6.0826  147.303   10.765  145.571   12.574  152.055   20.830  145.978   6.3565  148.194   10.372 -2.216339 12.16519 
1 1 1    0   18   37 o  102.483   6.9528   73.476   8.6184   74.560   10.171   70.716   16.230  104.323   7.1945  100.644   11.900 3.678802 13.90564 
1 1 1    0   18   38 f   40.972   9.3349   11.851   6.8032   18.171   7.9144  -6.0382   13.314   50.032   11.855   31.912   14.423 18.12036 18.66988 
1 1 1    0   18   39 o   60.724   11.925   26.653   9.4630   26.653   9.4630   0.0000   0.0000   60.724   11.925  ?   ?       ?      ? 
1 1 1    0   18   40 o   39.847   10.261   9.7659   7.1976   12.268   8.8703   4.9439   12.315   42.002   13.629   37.691   15.343 4.310802 20.52177 
1 1 1    0   18   41 o   59.663   9.9440   26.600   7.6819   27.574   9.5701   24.836   12.881   61.685   11.880   57.641   15.950 4.044418 19.88803 
1 1 1    0   18   42 o   99.892   7.2109   69.280   9.2571   68.518   11.393   70.759   15.879   99.544   8.4461  100.240   11.690 -0.6962204 14.42171 
1 1 1    0   18   43 o   37.290   9.7524   8.3695   6.5466   11.118   7.7959   1.7943   12.057   39.787   12.763   34.794   14.749 4.992893 19.50480 
1 1 1    0   18   44 o   40.381   10.149   10.379   6.6118   10.051   7.9569   11.112   11.884   38.392   12.924   42.370   15.652 -3.977798 20.29829 
1 1 1    0   18   45 o   61.218   9.4536   27.013   7.1305   25.714   8.5209   30.049   13.024   59.540   10.965   62.897   15.403 -3.356552 18.90729 
1 1 1    0   18   46 o  148.128   5.8949  147.116   10.596  140.745   12.358  164.802   20.590  143.056   6.3747  153.200   9.9178 -10.14417 11.78982 
1 1 1    0   18   47 o   50.075   10.038   17.470   6.7464   14.625   8.1310   23.756   12.086   44.445   12.803   55.706   15.463 -11.26040 20.07550 
1 1 1    0   18   48 o   92.074   7.1159   59.809   8.2284   59.712   9.9418   60.022   14.661   92.668   7.9169   91.480   11.826 1.187675 14.23175 
1 1 1    0   18   49 o   52.667   14.613   21.259   10.796   21.259   10.796   0.0000   0.0000   52.667   14.613  ?   ?       ?      ? 
1 1 1    0   18   50 o   29.013   12.737  -1.0066   9.6288  -1.0066   9.6288   0.0000   0.0000   29.013   12.737  ?   ?       ?      ? 
1 1 1    0   18   51 o   36.353   9.5985   3.7187   7.7434   16.748   10.529 -11.6308   11.428   46.936   14.809   25.770   12.216 21.16526 19.19705 
1 1 1    0   18   52 o  136.950   8.0787  136.472   14.792  132.385   22.589  139.541   19.573  134.344   12.408  139.556   10.349 -5.211365 16.15730 
1 1 1    0   18   53 o   37.246   10.975   5.1884   8.8895   6.7099   14.796   4.3290   11.120   39.841   16.576   34.651   14.390 5.189896 21.95096 
1 1 1    0   18   54 o   54.837   11.989   24.060   9.6106   26.785   15.576   22.385   12.213   56.818   18.021   52.855   15.818 3.962215 23.97817 
1 1 1    0   18   55 o   36.183   9.3740   2.9503   7.1906  -9.2980   9.5958   18.635   10.859   23.796   11.254   48.570   14.994 -24.77400 18.74805 
1 1 1    0   18   56 o   64.084   13.278   31.866   11.152   31.866   11.152   0.0000   0.0000   64.084   13.278  ?   ?       ?      ? 
1 1 1    0   18   57 o   58.416   13.690   26.908   10.648   26.908   10.648   0.0000   0.0000   58.416   13.690  ?   ?       ?      ? 
1 1 1    0   18   58 o   33.556   13.560   5.5229   9.5400   5.5229   9.5400   0.0000   0.0000   33.556   13.560  ?   ?       ?      ? 
1 1 1    0   18   59 o   50.571   13.993   20.509   9.9134   20.509   9.9134   0.0000   0.0000   50.571   13.993  ?   ?       ?      ? 
1 1 1    0   18   60 o   23.350   10.946  -6.9829   8.7280  -6.9829   8.7280   0.0000   0.0000   23.350   10.946  ?   ?       ?      ? 
1 1 1    0   18   61 o   25.629   12.162 -10.4512   11.386 -10.4512   11.386   0.0000   0.0000   25.629   12.162  ?   ?       ?      ? 
1 1 1    0   18   62 o   45.413   11.303   16.729   8.6643   15.232   12.701   18.032   11.850   44.052   16.197   46.774   15.772 -2.722488 22.60696 
1 1 1    0   18   63 o   29.192   9.1982  -3.8193   7.6825   5.5991   11.359 -11.7602   10.430   34.791   14.504   23.593   11.317 11.19826 18.39637 
1 1 1    0   18   64 o   67.158   10.252   37.376   9.3842   24.476   13.075   51.081   13.477   52.839   16.476   81.477   12.206 -28.63811 20.50491 
1 1 1    0   18   65 o   32.005   9.5309   0.1449   7.8464 -11.2859   11.071   11.680   11.122   24.514   11.732   39.495   15.023 -14.98123 19.06182 
1 1 1    0   18   66 o   29.991   9.4848  -0.9635   8.0365   3.3197   11.225  -5.4686   11.512   32.425   13.997   27.557   12.803 4.868219 18.96955 
1 1 1    0   18   67 o   43.879   11.261   16.505   8.8152   20.564   12.284   12.197   12.657   47.837   16.059   39.921   15.790 7.916161 22.52117 
1 1 1    0   18   68 o   23.434   11.317 -12.3648   10.850 -12.3648   10.850   0.0000   0.0000   23.434   11.317  ?   ?       ?      ? 
1 1 1    0   18   69 o   45.048   15.893   18.713   12.081   18.713   12.081   0.0000   0.0000   45.048   15.893  ?   ?       ?      ? 
1 1 1    0   18   70 o   34.232   10.341   6.6471   8.4882   5.7159   11.752   7.6626   12.273   33.389   14.368   35.074   14.875 -1.685570 20.68120 
1 1 1    0   18   71 o   43.094   11.429   18.011   9.0106   17.223   12.308   18.922   13.227   42.428   15.878   43.761   16.444 -1.333755 22.85859 
1 1 1    0   18   72 o   41.993   10.697   15.294   8.7720   28.037   12.611   3.3483   12.210   52.577   16.146   31.409   14.034 21.16761 21.39320 
1 1 1    0   19    1 o  104.651   6.3678   75.968   8.8917   83.506   11.990   66.755   13.254  110.605   7.9995   98.697   9.9099 11.90810 12.73565 
1 1 1    0   19    2 o  116.804   5.9471   92.412   9.3534   86.618   12.410  100.032   14.232  112.633   8.1304  120.976   8.6814 -8.342857 11.89411 
1 1 1    0   19    3 o   47.187   15.328   15.078   11.220   0.0000   0.0000   15.078   11.220  ?   ?    47.187   15.328      ?      ? 
1 1 1    0   19    4 o   37.975   9.9918   7.7213   6.9679   10.415   9.0296   3.7564   10.956   40.311   13.767   35.639   14.485 4.672348 19.98358 
1 1 1    0   19    5 o  115.121   9.2169   90.697   14.379   0.0000   0.0000   90.697   14.379  ?   ?   115.121   9.2169      ?      ? 
1 1 1    0   19    6 o  208.975   6.5110  300.758   16.710  303.409   19.869  294.355   30.885  211.006   6.9487  206.944   11.013 4.062302 13.02206 
1 1 1    0   19    7 o   52.311   11.137   20.503   8.4160   24.107   9.7130   9.6474   16.858   58.000   12.709   46.621   18.291 11.37937 22.27307 
1 1 1    0   19    8 o   57.266   10.253   27.197   8.8164   36.251   10.293   2.2509   17.085   72.666   10.452   41.866   17.642 30.80025 20.50558 
1 1 1    0   19    9 o   98.277   6.9166   64.958   9.0944   58.796   11.775   74.070   14.318   92.655   9.3776  103.899   10.169 -11.24361 13.83315 
1 1 1    0   19   10 o  103.263   7.4736   73.593   10.333   70.869   15.715   75.667   13.714  101.452   11.430  105.073   9.6314 -3.621056 14.94716 
1 1 1    0   19   11 o   56.791   10.618   23.804   8.7932   12.435   13.172   32.944   11.810   45.719   16.542   67.863   13.317 -22.14424 21.23654 
1 1 1    0   19   12 o   74.427   10.644   37.990   10.553   23.028   13.850   58.701   16.295   56.775   16.812   92.079   13.059 -35.30431 21.28750 
1 1 1    0   19   13 o   92.316   8.8714   63.477   9.2793   68.047   10.949   51.825   17.484   99.788   8.0965   84.843   15.788 14.94487 17.74282 
1 1 1    0   19   14 f   42.645   10.651   11.530   7.4319   13.665   8.7267   5.8919   14.179   44.206   13.403   41.085   16.556 3.121250 21.30146 
1 1 1    0   19   15 o   34.861   9.8473   4.1682   7.2438   8.9103   8.4968  -8.4477   13.859   37.970   13.335   31.752   14.493 6.217737 19.69456 
1 1 1    0   19   16 o   65.580   10.183   29.111   8.0604   26.616   9.4370   35.840   15.499   61.095   11.826   70.064   16.582 -8.968929 20.36659 
1 1 1    0   19   17 o  103.320   7.7879   75.797   9.8073   78.996   11.717   68.313   17.922  107.481   8.0448   99.160   13.337 8.320877 15.57577 
1 1 1    0   19   18 o  109.302   8.8362   97.215   10.521  117.740   12.831   55.096   18.381  131.323   7.2103   87.282   16.135 44.04085 17.67245 
1 1 1    0   19   19 o   97.952   8.0528   70.143   9.5715   76.207   11.564   56.948   17.057  105.535   8.0857   90.368   13.929 15.16701 16.10556 
1 1 1    0   19   20 o   31.068   9.1188  -1.2693   7.3284   7.7797   8.6573 -24.1443   13.765   36.728   13.392   25.408   12.380 11.32003 18.23759 
1 1 1    0   19   21 o  199.603   6.2080  266.403   15.514  255.887   18.502  291.312   28.474  193.566   7.0534  205.641   10.218 -12.07553 12.41598 
1 1 1    0   19   22 o   32.364   9.8642  -0.9733   7.3607  -2.7579   8.9069   2.8707   13.073   27.319   12.110   37.410   15.574 -10.09070 19.72832 
1 1 1    0   19   23 o  108.638   7.3370   82.514   9.9290   84.290   11.976   78.608   17.759  110.936   7.9661  106.341   12.324 4.595177 14.67406 
1 1 1    0   19   24 o   29.445   9.4352 -10.6353   8.4810 -20.3578   11.392   1.4548   12.703   23.006   11.221   35.885   15.172 -12.87954 18.87036 
1 1 1    0   19   25 o   34.802   15.180  -1.6798   13.483   0.0000   0.0000  -1.6798   13.483  ?   ?    34.802   15.180      ?      ? 
1 1 1    0   19   26 o  106.864   8.8891   79.761   12.646   61.552   17.413  100.083   18.396   93.646   13.721  120.082   11.305 -26.43626 17.77815 
1 1 1    0   19   27 o   68.214   10.390   32.514   8.8653   29.516   10.758   38.858   15.648   63.902   12.869   72.526   16.317 -8.623962 20.78076 
1 1 1    0   19   28 o   52.531   8.9224   21.246   8.3826   37.460   10.352  -9.6364   14.286   73.539   10.388   31.524   14.510 42.01451 17.84487 
1 1 1    0   19   29 o  142.903   6.5996  138.646   12.036  134.225   14.629  147.911   21.177  139.851   7.7193  145.954   10.707 -6.102844 13.19930 
1 1 1    0   19   30 o  140.014   6.7885  137.634   11.991  141.517   14.644  129.731   20.892  143.606   7.5248  136.421   11.301 7.185165 13.57696 
1 1 1    0   19   31 o  226.255   6.3276  359.329   18.161  371.337   22.317  335.788   31.248  232.732   7.0762  219.779   10.492 12.95299 12.65512 
1 1 1    0   19   32 o   39.117   10.478   7.0951   6.9167   5.0252   8.0704   12.823   13.425   32.704   12.704   45.531   16.665 -12.82655 20.95529 
1 1 1    0   19   33 f   46.177   10.380   14.772   6.7783   14.609   7.9331   15.213   13.046   44.853   12.555   47.502   16.532 -2.649048 20.75942 
1 1 1    0   19   34 o   41.574   12.710   12.331   7.8242   12.331   7.8242   0.0000   0.0000   41.574   12.710  ?   ?       ?      ? 
1 1 1    0   19   35 o  172.018   6.2825  207.159   12.250  209.016   13.976  201.005   25.446  174.764   5.9014  169.272   11.093 5.492157 12.56508 
1 1 1    0   19   36 o  110.979   6.6380   83.080   8.8094   80.260   10.207   91.316   17.441  108.045   6.9713  113.913   11.298 -5.868103 13.27592 
1 1 1    0   19   37 f   54.984   9.6068   17.472   6.8332   10.104   7.9697   37.920   13.277   38.490   12.935   71.478   14.208 -32.98802 19.21358 
1 1 1    0   19   38 f   37.072   9.8862   7.9539   6.4859   9.0350   7.7254   5.3721   11.939   36.878   12.728   37.265   15.130 -0.3866844 19.77231 
1 1 1    0   19   39 o   87.476   7.5194   55.564   7.9764   57.936   9.5168   49.964   14.623   91.519   7.6736   83.433   12.934 8.086082 15.03881 
1 1 1    0   19   40 f   56.680   9.4309   25.181   6.9743   28.294   8.4306   18.430   12.414   63.490   9.7988   49.870   16.117 13.61963 18.86186 
1 1 1    0   19   41 o   35.710   9.7424   5.7423   6.3213   3.3525   7.6376   10.939   11.263   30.008   12.130   41.412   15.248 -11.40421 19.48478 
1 1 1    0   19   42 o   65.834   8.3859   28.286   6.8854   23.058   8.1520   41.301   12.861   56.041   11.127   75.627   12.549 -19.58601 16.77186 
1 1 1    0   19   43 o   93.699   7.0528   60.852   8.0460   59.276   9.4495   65.008   15.343   92.379   7.5484   95.019   11.916 -2.639839 14.10555 
1 1 1    0   19   44 o  110.169   6.5650   82.550   8.7309   79.084   10.160   92.336   17.070  106.815   7.0194  113.523   11.096 -6.707489 13.13008 
1 1 1    0   19   45 o   99.990   8.9723   74.094   11.923   66.067   17.999   80.370   15.916   94.238   14.094  105.743   11.107 -11.50464 17.94452 
1 1 1    0   19   46 o   32.230   10.066  -0.9257   8.5150  -4.1849   13.816   1.0703   10.812   32.482   14.686   31.979   13.771 0.5038357 20.13253 
1 1 1    0   19   47 o   34.219   9.9905  -6.7719   8.4069   16.401   13.944 -20.0059   10.537   47.181   17.027   21.256   10.455 25.92439 19.98094 
1 1 1    0   19   48 o   56.709   11.921   25.682   9.6810   29.002   15.360   23.493   12.470   59.242   17.741   54.176   15.927 5.066582 23.84186 
1 1 1    0   19   49 o   43.584   9.9459   11.012   7.6134   0.1457   9.9997   25.997   11.743   30.027   13.085   57.141   14.982 -27.11418 19.89179 
1 1 1    0   19   50 o   84.649   8.1739   50.430   9.1770   41.286   11.652   65.372   14.894   75.022   11.461   94.277   11.658 -19.25584 16.34786 
1 1 1    0   19   51 o   56.458   13.929   25.167   10.591   25.167   10.591   0.0000   0.0000   56.458   13.929  ?   ?       ?      ? 
1 1 1    0   19   52 o   74.939   11.192   41.289   11.365   41.289   11.365   0.0000   0.0000   74.939   11.192  ?   ?       ?      ? 
1 1 1    0   19   53 o   47.331   14.433   17.850   10.098   17.850   10.098   0.0000   0.0000   47.331   14.433  ?   ?       ?      ? 
1 1 1    0   19   54 o   28.440   12.415   0.1768   9.0367   0.1768   9.0367   0.0000   0.0000   28.440   12.415  ?   ?       ?      ? 
1 1 1    0   19   55 o   68.531   11.314   34.893   10.507   34.893   10.507   0.0000   0.0000   68.531   11.314  ?   ?       ?      ? 
1 1 1    0   19   56 o   27.623   12.264  -1.0544   9.1695  -1.0544   9.1695   0.0000   0.0000   27.623   12.264  ?   ?       ?      ? 
1 1 1    0   19   57 o   42.161   14.075   13.965   9.4360   13.965   9.4360   0.0000   0.0000   42.161   14.075  ?   ?       ?      ? 
1 1 1    0   19   58 o   32.046   13.199   4.6125   9.2493   4.6125   9.2493   0.0000   0.0000   32.046   13.199  ?   ?       ?      ? 
1 1 1    0   19   59 o   31.566   12.830   4.9398   8.5946   4.9398   8.5946   0.0000   0.0000   31.566   12.830  ?   ?       ?      ? 
1 1 1    0   19   60 o   41.328   13.693   13.682   8.9363   13.682   8.9363   0.0000   0.0000   41.328   13.693  ?   ?       ?      ? 
1 1 1    0   19   61 o   67.193   10.763   34.059   9.8000   34.059   9.8000   0.0000   0.0000   67.193   10.763  ?   ?       ?      ? 
1 1 1    0   19   62 o   40.179   13.719   13.077   8.9676   13.077   8.9676   0.0000   0.0000   40.179   13.719  ?   ?       ?      ? 
1 1 1    0   19   63 o   30.193   12.605   4.0511   8.5969   4.0511   8.5969   0.0000   0.0000   30.193   12.605  ?   ?       ?      ? 
1 1 1    0   19   64 o   31.404   12.906   5.3672   8.8178   5.3672   8.8178   0.0000   0.0000   31.404   12.906  ?   ?       ?      ? 
1 1 1    0   19   65 o   32.240   14.068   3.7002   11.593   3.7002   11.593   0.0000   0.0000   32.240   14.068  ?   ?       ?      ? 
1 1 1    0   19   66 o   26.985   12.539  -3.9843   11.045  -3.9843   11.045   0.0000   0.0000   26.985   12.539  ?   ?       ?      ? 
1 1 1    0   19   67 o   30.622   12.640   5.5697   8.5064   5.5697   8.5064   0.0000   0.0000   30.622   12.640  ?   ?       ?      ? 
1 1 1    0   19   68 o   36.387   15.108   10.641   12.255   10.641   12.255   0.0000   0.0000   36.387   15.108  ?   ?       ?      ? 
1 1 1    0   19   69 o   29.640   9.3136   0.0320   8.0016  -9.9021   11.234   10.261   11.400   23.942   11.551   35.338   14.614 -11.39653 18.62728 
1 1 1    0   20    0 o   46.788   11.987   12.654   10.010   17.272   12.775   5.3092   16.112   50.557   16.351   43.019   17.535 7.537449 23.97497 
1 1 1    0   20    1 o   78.280   7.8896   41.112   8.2385   34.152   10.626   51.600   13.044   70.231   11.165   86.330   11.150 -16.09836 15.77911 
1 1 1    0   20    2 o   42.787   11.242   9.7626   7.8689   8.7375   9.1527   12.667   15.407   38.237   13.796   47.338   17.755 -9.100113 22.48484 
1 1 1    0   20    3 o   89.328   8.7655   53.322   9.4874   50.743   11.044   60.586   18.535   85.858   9.4920   92.797   14.739 -6.938393 17.53110 
1 1 1    0   20    4 o  146.917   7.1128  153.551   12.630  159.898   15.008  138.148   23.382  152.908   7.2429  140.926   12.244 11.98248 14.22551 
1 1 1    0   20    5 o   35.677   10.573  -2.5813   7.8697  -7.4493   9.1144   11.680   15.600   24.690   11.444   46.664   17.783 -21.97471 21.14673 
1 1 1    0   20    6 o   83.702   9.3413   48.040   9.2854   45.990   10.890   53.497   17.771   81.677   9.8392   85.727   15.882 -4.049774 18.68257 
1 1 1    0   20    7 o   93.755   7.1082   60.934   8.8749   62.273   11.607   59.049   13.771   95.169   8.9997   92.341   11.005 2.827988 14.21631 
1 1 1    0   20    8 o  138.703   5.7461  132.204   10.722  134.289   14.393  129.604   16.072  140.041   7.5843  137.364   8.6342 2.676956 11.49224 
1 1 1    0   20    9 o  118.795   6.1421   95.047   9.7835   79.636   12.890  115.989   15.026  107.631   8.8376  129.958   8.5323 -22.32697 12.28427 
1 1 1    0   20   10 f   59.775   9.1180   27.764   7.5473   40.243   10.040   11.551   11.444   76.391   9.6987   43.159   15.443 33.23109 18.23595 
1 1 1    0   20   11 f   77.251   7.6945   41.093   7.9903   39.395   10.561   43.366   12.220   75.482   10.325   79.020   11.412 -3.537979 15.38900 
1 1 1    0   20   12 o   80.699   9.1049   47.624   7.8805   48.718   8.9454   43.835   16.654   84.290   7.8314   77.108   16.440 7.182114 18.20982 
1 1 1    0   20   13 o   59.407   10.231   20.262   7.0587   15.498   7.9124   38.832   15.623   46.315   12.372   72.500   16.298 -26.18439 20.46182 
1 1 1    0   20   14 o   72.956   9.7234   40.350   7.6352   42.077   8.6325   34.146   16.364   78.278   8.1379   67.635   17.662 10.64370 19.44672 
1 1 1    0   20   15 o   55.579   9.7635   26.231   7.2608   31.432   8.2503   8.3672   15.291   67.542   9.0139   43.616   17.322 23.92584 19.52705 
1 1 1    0   20   16 o  103.231   7.7361   77.990   8.8216   81.292   10.061   67.007   18.349  108.997   6.8113   97.465   13.892 11.53225 15.47226 
1 1 1    0   20   17 o   95.505   7.4165   59.083   8.2223   55.457   9.3286   71.712   17.407   89.896   7.6576  101.114   12.704 -11.21738 14.83308 
1 1 1    0   20   18 o   33.743   10.164   0.3456   7.7799  -1.5788   9.5699   4.0960   13.360   29.125   12.744   38.362   15.839 -9.236313 20.32895 
1 1 1    0   20   19 o   36.536   15.578   1.1405   13.586   0.0000   0.0000   1.1405   13.586  ?   ?    36.536   15.578      ?      ? 
1 1 1    0   20   20 o   37.807   9.6136   6.4946   7.6646   16.008   9.2717 -14.0388   13.621   47.035   13.707   28.578   13.483 18.45665 19.22728 
1 1 1    0   20   21 o   54.306   10.507   19.692   6.9338   17.973   7.8458   25.824   14.818   49.706   11.820   58.906   17.375 -9.199715 21.01433 
1 1 1    0   20   22 o   45.153   9.3525   16.398   6.7764   22.065   7.7430  -2.1441   14.006   55.400   10.701   34.906   15.341 20.49377 18.70493 
1 1 1    0   20   23 f   33.434   9.6185   4.2622   6.4053   6.4089   7.3305  -2.6678   13.171   33.380   12.300   33.489   14.791 -0.1088829 19.23706 
1 1 1    0   20   24 o   31.948   9.5177   2.3297   6.3303   3.3406   7.2778  -0.8125   12.831   29.747   11.906   34.149   14.853 -4.401913 19.03543 
1 1 1    0   20   25 o   93.065   7.0964   53.255   7.8352   46.675   8.9005   75.909   16.516   82.268   7.9837  103.863   11.734 -21.59528 14.19272 
1 1 1    0   20   26 o   73.642   9.0350   37.793   7.3401   36.718   8.3117   41.599   15.645   72.868   8.4173   74.417   15.990 -1.548630 18.07004 
1 1 1    0   20   27 o   37.335   8.6793   8.5810   6.5712   16.827   7.5217 -18.0008   13.505   47.938   11.685   26.732   12.837 21.20612 17.35860 
1 1 1    0   20   28 o   40.122   12.453   11.477   7.4787   11.477   7.4787   0.0000   0.0000   40.122   12.453  ?   ?       ?      ? 
1 1 1    0   20   29 o   25.228   10.967  -0.7179   6.9888  -0.7179   6.9888   0.0000   0.0000   25.228   10.967  ?   ?       ?      ? 
1 1 1    0   20   30 o   49.737   10.149   19.025   6.8097   20.604   7.8297   14.121   13.798   53.098   11.232   46.375   16.907 6.723812 20.29792 
1 1 1    0   20   31 o  110.443   6.7798   86.337   8.7344   87.371   10.108   83.290   17.353  112.680   6.6199  108.207   11.834 4.472527 13.55962 
1 1 1    0   20   32 f   77.479   8.6406   43.730   7.5374   43.977   8.7042   42.990   15.071   79.606   8.0687   75.352   15.282 4.253571 17.28126 
1 1 1    0   20   33 o   41.658   10.238   11.004   6.3537   9.9096   7.3312   14.306   12.736   37.647   12.399   45.670   16.296 -8.022945 20.47671 
1 1 1    0   20   34 o   53.906   10.089   18.875   7.5298   10.855   9.2127   35.012   13.069   39.908   13.893   67.903   14.634 -27.99475 20.17797 
1 1 1    0   20   35 o   40.340   10.463   9.5819   7.1740   7.1869   8.7961   14.340   12.398   35.355   13.382   45.325   16.089 -9.970387 20.92669 
1 1 1    0   20   36 o   85.688   7.7481   51.448   8.5734   49.301   10.543   55.640   14.731   83.707   9.2943   87.670   12.400 -3.962341 15.49620 
1 1 1    0   20   37 o   82.480   8.5591   51.395   8.5227   54.588   10.440   45.015   14.756   88.203   8.7345   76.757   14.722 11.44571 17.11822 
1 1 1    0   20   38 o   32.212   9.1775   3.6309   6.5712   8.5477   8.0705  -6.0407   11.319   36.088   12.962   28.336   12.995 7.751438 18.35501 
1 1 1    0   20   39 f   66.913   9.4523   36.496   7.8559   42.313   9.6959   25.381   13.403   77.348   9.2503   56.479   16.487 20.86958 18.90453 
1 1 1    0   20   40 o   51.732   9.9094   21.331   8.1001   32.504   10.740   6.5904   12.336   65.696   12.521   37.768   15.363 27.92742 19.81879 
1 1 1    0   20   41 o   36.490   10.157   6.9737   7.3089   5.2096   9.6079   9.3966   11.260   33.802   13.626   39.179   15.065 -5.376938 20.31349 
1 1 1    0   20   42 o   25.564   8.2464  -9.2587   6.6777 -18.5130   8.9106   2.5969   10.085   19.083   9.4289   32.046   13.532 -12.96291 16.49277 
1 1 1    0   20   43 o   34.990   9.4366   1.8894   7.0956  -8.4245   9.2612   16.550   11.041   23.715   11.167   46.266   15.215 -22.55157 18.87322 
1 1 1    0   20   44 o   46.062   9.7705   16.014   7.5862   26.253   10.229   3.4991   11.309   58.137   13.276   33.987   14.339 24.14971 19.54094 
1 1 1    0   20   45 o   33.628   9.7927   4.6602   7.1567   4.6384   9.5331   4.6884   10.833   32.921   13.461   34.336   14.226 -1.414562 19.58541 
1 1 1    0   20   46 o   37.696   10.058   7.9708   7.2428   2.5437   9.6434   14.994   10.970   31.206   13.207   44.187   15.173 -12.98105 20.11573 
1 1 1    0   20   47 o   51.481   14.004   21.119   10.029   21.119   10.029   0.0000   0.0000   51.481   14.004  ?   ?       ?      ? 
1 1 1    0   20   48 o   59.802   12.932   27.917   10.175   27.917   10.175   0.0000   0.0000   59.802   12.932  ?   ?       ?      ? 
1 1 1    0   20   49 o   46.433   13.985   17.181   9.5235   17.181   9.5235   0.0000   0.0000   46.433   13.985  ?   ?       ?      ? 
1 1 1    0   20   50 o   57.720   13.129   26.317   10.037   26.317   10.037   0.0000   0.0000   57.720   13.129  ?   ?       ?      ? 
1 1 1    0   20   51 o   30.249   12.782   2.6739   9.0094   2.6739   9.0094   0.0000   0.0000   30.249   12.782  ?   ?       ?      ? 
1 1 1    0   20   52 o   40.513   14.063   12.594   9.4372   12.594   9.4372   0.0000   0.0000   40.513   14.063  ?   ?       ?      ? 
1 1 1    0   20   53 o   45.220   13.732   16.511   9.1548   16.511   9.1548   0.0000   0.0000   45.220   13.732  ?   ?       ?      ? 
1 1 1    0   20   54 o   50.627   13.571   20.894   9.5003   20.894   9.5003   0.0000   0.0000   50.627   13.571  ?   ?       ?      ? 
1 1 1    0   20   55 o   30.762   12.738   4.0954   8.6769   4.0954   8.6769   0.0000   0.0000   30.762   12.738  ?   ?       ?      ? 
1 1 1    0   20   56 o   23.384   10.964  -6.4353   8.7618  -6.4353   8.7618   0.0000   0.0000   23.384   10.964  ?   ?       ?      ? 
1 1 1    0   20   57 o   70.292   10.721   37.415   10.213   37.415   10.213   0.0000   0.0000   70.292   10.721  ?   ?       ?      ? 
1 1 1    0   20   58 o   45.082   13.819   17.167   9.2426   17.167   9.2426   0.0000   0.0000   45.082   13.819  ?   ?       ?      ? 
1 1 1    0   20   59 o   31.729   12.988   5.5690   8.8871   5.5690   8.8871   0.0000   0.0000   31.729   12.988  ?   ?       ?      ? 
1 1 1    0   20   60 o   62.040   16.093   35.440   13.644   35.440   13.644   0.0000   0.0000   62.040   16.093  ?   ?       ?      ? 
1 1 1    0   20   61 o   29.899   13.442   0.4664   11.387   0.4664   11.387   0.0000   0.0000   29.899   13.442  ?   ?       ?      ? 
1 1 1    0   20   62 o   25.249   11.934  -6.7465   10.759  -6.7465   10.759   0.0000   0.0000   25.249   11.934  ?   ?       ?      ? 
1 1 1    0   20   63 f   30.133   12.501   5.2419   8.3803   5.2419   8.3803   0.0000   0.0000   30.133   12.501  ?   ?       ?      ? 
1 1 1    0   20   64 o   22.283   10.496  -5.2112   8.1905  -5.2112   8.1905   0.0000   0.0000   22.283   10.496  ?   ?       ?      ? 
1 1 1    0   21    1 o   39.035   9.3748   8.9954   6.7463   16.732   8.8994  -1.4564   10.344   47.799   13.269   30.271   13.247 17.52863 18.74963 
1 1 1    0   21    2 o   38.559   8.8073   7.0421   6.7719   19.518   9.0198  -9.0747   10.252   51.524   12.937   25.593   11.955 25.93082 17.61458 
1 1 1    0   21    3 o   52.623   9.8225   19.812   7.1044   15.617   9.3097   25.661   10.993   46.375   13.795   58.870   13.986 -12.49513 19.64504 
1 1 1    0   21    4 o   43.517   9.4411   12.911   6.9885   21.631   9.2658   1.4055   10.643   54.256   12.808   32.778   13.874 21.47803 18.88218 
1 1 1    0   21    5 o   59.287   9.4543   26.044   7.3433   26.983   9.6235   24.735   11.362   60.913   12.085   57.661   14.543 3.251415 18.90862 
1 1 1    0   21    6 o   72.399   8.4212   38.870   7.7293   44.963   10.183   30.588   11.872   80.481   9.3367   64.317   14.018 16.16463 16.84241 
1 1 1    0   21    7 o   44.247   9.2965   8.8424   7.0589  -2.6813   8.9440   27.876   11.495   27.187   12.089   61.306   14.126 -34.11910 18.59307 
1 1 1    0   21    8 f  112.506   6.2099   90.324   9.1669  106.700   12.371   70.381   13.651  124.533   7.3305  100.479   10.026 24.05312 12.41984 
1 1 1    0   21    9 o   41.919   9.7944   10.422   6.8100   4.0109   8.9201   19.380   10.544   32.655   13.141   51.183   14.527 -18.52713 19.58881 
1 1 1    0   21   10 o   53.600   10.608   21.840   8.3184   13.985   12.640   27.842   11.048   45.849   16.248   61.351   13.642 -15.50210 21.21567 
1 1 1    0   21   11 o   70.792   10.882   35.507   10.573   20.242   13.887   56.563   16.309   52.620   17.050   88.964   13.528 -36.34400 21.76500 
1 1 1    0   21   12 o   75.413   9.8587   42.970   8.8914   45.232   10.644   37.744   16.174   80.548   9.7514   70.277   17.137 10.27161 19.71749 
1 1 1    0   21   13 o   88.843   10.172   58.556   11.679   70.515   16.281   45.878   16.763   99.799   12.038   77.888   16.400 21.91145 20.34386 
1 1 1    0   21   14 o   68.690   9.5748   34.534   7.3201   34.661   8.3048   34.089   15.498   70.689   8.6696   66.692   17.075 3.997299 19.14954 
1 1 1    0   21   15 o   33.646   9.5332   5.1477   6.1510   7.4324   6.9059  -3.6221   13.530   34.119   12.019   33.172   14.801 0.9475479 19.06643 
1 1 1    0   21   16 o   51.113   9.9248   20.824   6.6937   23.140   7.6178   12.978   14.021   56.662   10.301   45.565   16.968 11.09715 19.84954 
1 1 1    0   21   17 o   52.236   10.457   19.374   6.8834   18.608   7.8417   21.945   14.369   50.309   11.720   54.164   17.322 -3.854523 20.91469 
1 1 1    0   21   18 o  192.872   6.2435  271.053   13.746  283.116   15.893  235.235   27.386  203.245   5.7705  182.498   11.074 20.74677 12.48698 
1 1 1    0   21   19 o   30.369   9.0956   1.5364   6.3638   5.4031   7.2101 -12.0963   13.538   31.803   12.097   28.936   13.587 2.867331 18.19125 
1 1 1    0   21   20 o   33.337   9.6131   4.5583   6.2242   6.1701   7.0385  -1.2238   13.331   32.518   12.039   34.156   14.990 -1.637917 19.22630 
1 1 1    0   21   21 o   35.416   12.284   8.3083   7.1993   8.3083   7.1993   0.0000   0.0000   35.416   12.284  ?   ?       ?      ? 
1 1 1    0   21   22 o   98.920   6.9667   67.542   9.3388   67.542   9.3388   0.0000   0.0000   98.920   6.9667  ?   ?       ?      ? 
1 1 1    0   21   23 o   26.033   11.132   0.3388   6.9739   0.3388   6.9739   0.0000   0.0000   26.033   11.132  ?   ?       ?      ? 
1 1 1    0   21   24 o   30.531   9.3646   0.6076   6.1493   0.4852   6.9940   1.0246   12.908   26.181   11.170   34.880   15.034 -8.698990 18.72913 
1 1 1    0   21   25 o   45.619   10.244   14.980   6.4576   15.009   7.3810   14.884   13.334   44.925   11.925   46.313   16.659 -1.388161 20.48713 
1 1 1    0   21   26 o   64.347   9.2063   26.929   6.7680   23.195   7.6675   40.100   14.401   56.404   10.415   72.290   15.184 -15.88612 18.41263 
1 1 1    0   21   27 o   57.387   9.8515   26.633   6.9350   28.766   7.8874   19.363   14.558   63.970   9.0987   50.805   17.476 13.16533 19.70299 
1 1 1    0   21   28 o   62.599   9.5944   27.862   6.9530   26.532   7.9115   32.375   14.573   61.285   9.5262   63.912   16.657 -2.626495 19.18889 
1 1 1    0   21   29 o   60.591   8.9767   36.676   7.2570   47.225   8.3752   4.8901   14.537   82.367   7.5034   38.815   16.310 43.55223 17.95339 
1 1 1    0   21   30 o   41.961   10.235   12.552   6.4801   13.292   7.3587   9.9964   13.675   42.161   12.190   41.761   16.446 0.4003334 20.47092 
1 1 1    0   21   31 o   29.230   8.9638   0.8860   6.0850   2.4929   7.0659  -3.7268   11.971   28.046   11.542   30.414   13.718 -2.368563 17.92764 
1 1 1    0   21   32 o   69.096   9.4355   38.208   7.4654   40.660   8.6891   31.298   14.589   76.015   8.4351   62.178   16.881 13.83751 18.87106 
1 1 1    0   21   33 o  113.950   6.6805   89.784   9.0362   87.039   10.448   97.930   17.998  111.860   6.8928  116.039   11.446 -4.178642 13.36093 
1 1 1    0   21   34 f  116.034   7.0452  101.764   9.4132  107.761   10.999   85.349   18.197  124.589   6.5147  107.478   12.494 17.11056 14.09039 
1 1 1    0   21   35 o   66.945   9.8863   40.123   9.1330   56.509   11.643   13.913   14.726   88.872   9.6675   45.018   17.248 43.85374 19.77251 
1 1 1    0   21   36 o   65.952   9.5641   29.793   8.3633   16.887   10.360   53.938   14.171   46.551   14.690   85.353   12.252 -38.80189 19.12825 
1 1 1    0   21   37 o   63.848   10.374   33.069   8.6477   35.635   11.004   28.925   13.985   68.526   12.301   59.170   16.708 9.355995 20.74802 
1 1 1    0   21   38 o  113.939   7.3897   95.765   10.809   99.736   13.520   88.731   17.995  118.607   8.4118  109.272   12.152 9.334427 14.77942 
1 1 1    0   21   39 o   56.763   10.756   25.578   8.2347   23.815   10.378   28.573   13.530   54.805   13.941   58.721   16.382 -3.915634 21.51118 
1 1 1    0   21   40 o   31.957   9.5006  -0.4284   7.2923  -7.7381   9.4318   10.435   11.498   24.197   11.355   39.717   15.235 -15.52006 19.00112 
1 1 1    0   21   41 o   45.591   9.9262   16.071   7.8393   26.014   10.335   2.6022   12.029   57.377   13.515   33.805   14.542 23.57162 19.85247 
1 1 1    0   21   42 o   58.900   13.552   27.478   10.592   27.478   10.592   0.0000   0.0000   58.900   13.552  ?   ?       ?      ? 
1 1 1    0   21   43 o   92.829   9.6972   62.506   12.199   62.506   12.199   0.0000   0.0000   92.829   9.6972  ?   ?       ?      ? 
1 1 1    0   21   44 o   75.515   10.747   42.074   10.998   42.074   10.998   0.0000   0.0000   75.515   10.747  ?   ?       ?      ? 
1 1 1    0   21   45 o   48.822   14.336   19.383   10.108   19.383   10.108   0.0000   0.0000   48.822   14.336  ?   ?       ?      ? 
1 1 1    0   21   46 o   45.409   14.319   16.663   9.8451   16.663   9.8451   0.0000   0.0000   45.409   14.319  ?   ?       ?      ? 
1 1 1    0   21   47 f   74.360   10.462   40.922   10.543   40.922   10.543   0.0000   0.0000   74.360   10.462  ?   ?       ?      ? 
1 1 1    0   21   48 o   24.216   11.133  -4.1764   8.3776  -4.1764   8.3776   0.0000   0.0000   24.216   11.133  ?   ?       ?      ? 
1 1 1    0   21   49 o   37.581   13.486   10.577   8.7342   10.577   8.7342   0.0000   0.0000   37.581   13.486  ?   ?       ?      ? 
1 1 1    0   21   50 o   34.993   13.251   8.4525   8.6276   8.4525   8.6276   0.0000   0.0000   34.993   13.251  ?   ?       ?      ? 
1 1 1    0   21   51 o   26.196   11.681  -0.9418   8.4105  -0.9418   8.4105   0.0000   0.0000   26.196   11.681  ?   ?       ?      ? 
1 1 1    0   21   52 o   47.661   13.457   18.970   9.0730   18.970   9.0730   0.0000   0.0000   47.661   13.457  ?   ?       ?      ? 
1 1 1    0   21   53 o   44.096   13.677   16.398   9.0225   16.398   9.0225   0.0000   0.0000   44.096   13.677  ?   ?       ?      ? 
1 1 1    0   21   54 o   30.564   13.694   0.3772   11.711   0.3772   11.711   0.0000   0.0000   30.564   13.694  ?   ?       ?      ? 
1 1 1    0   21   55 o   22.224   10.860 -15.3859   10.818 -15.3859   10.818   0.0000   0.0000   22.224   10.860  ?   ?       ?      ? 
1 1 1    0   21   56 o   30.483   13.657   1.0746   11.644   1.0746   11.644   0.0000   0.0000   30.483   13.657  ?   ?       ?      ? 
1 1 1    0   21   57 o   18.215   8.9734 -13.8532   7.8665 -13.8532   7.8665   0.0000   0.0000   18.215   8.9734  ?   ?       ?      ? 
1 1 1    0   21   58 o   29.023   12.302   3.9649   8.3866   3.9649   8.3866   0.0000   0.0000   29.023   12.302  ?   ?       ?      ? 
1 1 1    0   21   59 o   49.290   13.514   22.033   9.2967   22.033   9.2967   0.0000   0.0000   49.290   13.514  ?   ?       ?      ? 
1 1 1    0   21   60 o   26.464   11.762   1.1909   8.4574   1.1909   8.4574   0.0000   0.0000   26.464   11.762  ?   ?       ?      ? 
1 1 1    0   22    0 o   53.511   18.274   19.707   15.909   0.0000   0.0000   19.707   15.909  ?   ?    53.511   18.274      ?      ? 
1 1 1    0   22    1 o   87.534   9.4364   58.796   10.241   47.257   16.412   66.153   13.105   78.283   16.011   96.786   9.9916 -18.50302 18.87288 
1 1 1    0   22    2 o   49.919   10.595   16.664   8.1317   29.674   12.899   8.0827   10.476   61.992   15.418   37.846   14.536 24.14507 21.19040 
1 1 1    0   22    3 o  127.840   6.8091  115.424   11.529  113.464   18.232  116.730   14.882  126.395   10.644  129.285   8.4944 -2.889961 13.61811 
1 1 1    0   22    4 o   60.423   9.1872   27.141   7.2311   25.755   9.4979   29.051   11.153   58.826   12.310   62.019   13.641 -3.192532 18.37433 
1 1 1    0   22    5 o   32.129   9.2642   1.6163   6.3708  -2.7762   7.9983   9.2397   10.537   25.243   11.313   39.015   14.674 -13.77242 18.52842 
1 1 1    0   22    6 o   33.977   9.9907  -2.5170   7.2994  -8.6464   8.5859   13.463   13.863   22.713   10.713   45.240   16.867 -22.52701 19.98138 
1 1 1    0   22    7 o   78.566   9.1756   45.449   9.3973   45.186   14.509   45.638   12.334   77.296   14.380   79.836   11.401 -2.539917 18.35130 
1 1 1    0   22    8 o   80.776   7.3111   46.469   7.8729   47.380   10.326   45.205   12.166   82.076   9.2842   79.475   11.297 2.601440 14.62225 
1 1 1    0   22    9 o   63.993   8.6155   29.209   7.2532   22.816   9.4956   38.163   11.238   55.009   12.952   72.977   11.364 -17.96841 17.23093 
1 1 1    0   22   10 o   40.564   9.6255   9.0454   6.7813   1.2869   8.8164   20.286   10.612   29.652   12.593   51.477   14.561 -21.82563 19.25102 
1 1 1    0   22   11 o  111.155   7.1455   85.903   8.8249   84.615   9.9428   90.682   19.157  110.643   6.6313  111.668   12.659 -1.024315 14.29095 
1 1 1    0   22   12 o   46.396   10.573   11.590   6.4799   7.7765   7.2404   26.936   14.524   34.523   12.291   58.269   17.206 -23.74611 21.14509 
1 1 1    0   22   13 o   54.543   9.9249   24.010   6.7367   25.833   7.5533   16.918   14.895   60.549   9.2055   48.537   17.586 12.01191 19.84983 
1 1 1    0   22   14 o   22.891   10.248  -2.2697   6.5432  -2.2697   6.5432   0.0000   0.0000   22.891   10.248  ?   ?       ?      ? 
1 1 1    0   22   15 o   29.824   11.512   4.6218   6.5942   4.6218   6.5942   0.0000   0.0000   29.824   11.512  ?   ?       ?      ? 
1 1 1    0   22   16 o   47.911   10.938   17.064   6.9451   17.064   6.9451   0.0000   0.0000   47.911   10.938  ?   ?       ?      ? 
1 1 1    0   22   17 o   20.758   7.2054 -10.8243   5.4504  -8.0975   6.0442 -22.6908   12.609   17.983   8.6231   23.532   11.546 -5.548744 14.41087 
1 1 1    0   22   18 o   48.182   9.2652   19.771   6.4741   23.771   7.3268   5.5228   13.827   57.938   9.3319   38.426   16.009 19.51215 18.53041 
1 1 1    0   22   19 o   41.970   8.9542   14.614   6.3432   20.012   7.1829  -4.5114   13.520   52.020   10.550   31.921   14.471 20.09941 17.90845 
1 1 1    0   22   20 o   92.281   7.4433   56.411   7.7451   52.828   8.6875   70.289   17.098   87.031   7.3661   97.531   12.936 -10.50015 14.88655 
1 1 1    0   22   21 o   35.839   9.8650   7.4514   6.2272   8.5237   7.0157   3.4690   13.520   35.125   12.129   36.554   15.561 -1.428455 19.73009 
1 1 1    0   22   22 o   56.116   9.9819   24.200   6.7760   24.484   7.6507   23.169   14.593   58.594   9.6354   53.639   17.485 4.955116 19.96371 
1 1 1    0   22   23 o   53.805   10.622   20.981   7.0658   19.279   8.0178   26.900   14.949   50.398   11.926   57.213   17.581 -6.815159 21.24457 
1 1 1    0   22   24 o  187.710   6.2722  246.833   13.342  244.351   15.167  255.324   28.050  187.941   5.9553  187.478   11.041 0.4630432 12.54449 
1 1 1    0   22   25 o   81.325   8.8864   48.224   7.9320   47.091   9.0132   52.116   16.702   81.746   8.1364   80.904   15.801 0.8422089 17.77279 
1 1 1    0   22   26 o   78.753   8.6543   42.155   7.6456   38.550   8.6431   55.124   16.394   73.742   8.6491   83.764   14.993 -10.02216 17.30868 
1 1 1    0   22   27 o   30.725   9.5086   0.6341   6.4121   0.1426   7.2833   2.3281   13.520   25.985   11.246   35.465   15.336 -9.480108 19.01717 
1 1 1    0   22   28 o   94.727   7.8828   64.739   8.4500   63.984   9.6158   67.299   17.706   95.488   7.4310   93.967   13.905 1.521790 15.76567 
1 1 1    0   22   29 o   97.881   8.3844   70.562   10.240   70.015   12.324   71.783   18.403   98.930   9.1924   96.831   14.025 2.098671 16.76889 
1 1 1    0   22   30 o   42.521   10.877   13.153   7.8180   13.065   9.6656   13.319   13.296   41.670   14.243   43.371   16.443 -1.700951 21.75451 
1 1 1    0   22   31 f   36.193   10.114   7.2540   7.5692   11.062   9.4988   0.6293   12.528   39.253   14.067   33.134   14.537 6.119110 20.22876 
1 1 1    0   22   32 o   50.709   9.2027   20.858   8.1551   34.772   10.448  -0.8390   13.046   68.655   11.230   32.762   14.583 35.89248 18.40543 
1 1 1    0   22   33 o  102.689   7.9735   79.547   10.326   83.085   12.729   72.739   17.657  107.834   8.7109   97.545   13.358 10.28902 15.94705 
1 1 1    0   22   34 o   42.063   10.851   12.487   7.7504   10.419   9.6166   16.321   13.092   38.433   14.099   45.692   16.498 -7.258060 21.70153 
1 1 1    0   22   35 o   38.025   10.447   7.3029   7.5942   2.5533   9.4277   16.079   12.815   30.746   13.038   45.304   16.328 -14.55870 20.89497 
1 1 1    0   22   36 o  123.955   6.9090  108.661   11.091  101.656   13.629  122.393   19.083  119.283   8.4312  128.627   10.948 -9.343719 13.81808 
1 1 1    0   22   37 o   60.547   12.979   28.882   10.329   28.882   10.329   0.0000   0.0000   60.547   12.979  ?   ?       ?      ? 
1 1 1    0   22   38 o   72.323   11.377   39.120   11.150   39.120   11.150   0.0000   0.0000   72.323   11.377  ?   ?       ?      ? 
1 1 1    0   22   39 o   42.644   14.153   14.408   9.5462   14.408   9.5462   0.0000   0.0000   42.644   14.153  ?   ?       ?      ? 
1 1 1    0   22   40 o   48.695   13.852   19.322   9.5760   19.322   9.5760   0.0000   0.0000   48.695   13.852  ?   ?       ?      ? 
1 1 1    0   22   41 o   73.656   10.264   40.148   10.245   40.148   10.245   0.0000   0.0000   73.656   10.264  ?   ?       ?      ? 
1 1 1    0   22   42 o   16.880   8.4104 -18.0170   7.6795 -18.0170   7.6795   0.0000   0.0000   16.880   8.4104  ?   ?       ?      ? 
1 1 1    0   22   43 o   39.001   13.547   11.845   8.7572   11.845   8.7572   0.0000   0.0000   39.001   13.547  ?   ?       ?      ? 
1 1 1    0   22   44 o   18.035   8.9122 -15.8263   7.9689 -15.8263   7.9689   0.0000   0.0000   18.035   8.9122  ?   ?       ?      ? 
1 1 1    0   22   45 o   47.805   13.589   19.060   9.2191   19.060   9.2191   0.0000   0.0000   47.805   13.589  ?   ?       ?      ? 
1 1 1    0   22   46 f   26.127   12.384  -9.0104   11.740  -9.0104   11.740   0.0000   0.0000   26.127   12.384  ?   ?       ?      ? 
1 1 1    0   22   47 o   34.968   14.789   6.3595   12.078   6.3595   12.078   0.0000   0.0000   34.968   14.789  ?   ?       ?      ? 
1 1 1    0   22   48 o   41.719   16.191   14.675   13.098   14.675   13.098   0.0000   0.0000   41.719   16.191  ?   ?       ?      ? 
1 1 1    0   22   49 o   44.759   16.433   18.478   13.068   18.478   13.068   0.0000   0.0000   44.759   16.433  ?   ?       ?      ? 
1 1 1    0   22   50 o   84.047   9.5142   53.497   10.836   53.497   10.836   0.0000   0.0000   84.047   9.5142  ?   ?       ?      ? 
1 1 1    0   22   51 o   19.009   9.2538 -10.8559   7.6419 -10.8559   7.6419   0.0000   0.0000   19.009   9.2538  ?   ?       ?      ? 
1 1 1    0   22   52 o   26.477   11.715   0.8215   8.2990   0.8215   8.2990   0.0000   0.0000   26.477   11.715  ?   ?       ?      ? 
1 1 1    0   22   53 o   21.582   10.207  -5.8440   7.8918  -5.8440   7.8918   0.0000   0.0000   21.582   10.207  ?   ?       ?      ? 
1 1 1    0   22   54 o   69.566   10.247   38.439   9.6602   38.439   9.6602   0.0000   0.0000   69.566   10.247  ?   ?       ?      ? 
1 1 1    0   23    1 f   41.321   10.966   10.465   7.4413   8.7948   8.6003   15.440   14.842   36.399   13.336   46.242   17.410 -9.842773 21.93119 
1 1 1    0   23    2 o   65.717   8.5836   31.969   7.2145   29.407   9.1858   36.093   11.655   62.758   11.212   68.676   13.000 -5.917049 17.16722 
1 1 1    0   23    3 o   42.662   9.2573   14.158   6.4311   19.842   8.2214   5.1957   10.323   50.961   12.088   34.363   14.024 16.59787 18.51468 
1 1 1    0   23    4 o   25.833   8.6740  -7.6269   6.5376  -7.6450   7.3765  -7.5609   14.115   20.808   9.8494   30.858   14.281 -10.04944 17.34794 
1 1 1    0   23    5 o   48.322   10.962   17.257   7.2329   16.372   8.2175   20.298   15.239   46.098   12.733   50.546   17.848 -4.447845 21.92478 
1 1 1    0   23    6 o   32.189   9.9025   0.6187   6.5118  -0.7680   7.2639   6.2946   14.696   25.204   11.063   39.174   16.427 -13.97022 19.80503 
1 1 1    0   23    7 o   34.802   10.203   4.9810   6.7549   4.8949   7.6005   5.3045   14.735   31.067   12.252   38.537   16.319 -7.469751 20.40651 
1 1 1    0   23    8 o   37.703   9.7099   9.4308   6.2319   8.5211   7.7803   11.059   10.410   35.442   12.728   39.964   14.668 -4.522110 19.41979 
1 1 1    0   23    9 o   42.696   9.5239   11.374   6.4565   4.5457   8.1071   23.214   10.676   31.272   12.548   54.120   14.331 -22.84780 19.04779 
1 1 1    0   23   10 o   43.331   9.7895   15.335   7.2235   20.645   8.3743  -0.0986   14.278   51.906   12.125   34.757   15.373 17.14918 19.57903 
1 1 1    0   23   11 o   33.270   8.5996   6.2215   6.1314   12.554   6.8631 -18.8194   13.647   40.683   11.775   25.857   12.536 14.82559 17.19920 
1 1 1    0   23   12 o   30.503   9.3919   1.0515   6.9377   3.3619   8.1601  -4.9745   13.178   30.139   12.404   30.867   14.106 -0.7282772 18.78390 
1 1 1    0   23   13 o   57.514   10.897   24.093   7.9132   20.407   9.2283   34.333   15.381   51.088   13.226   63.941   17.321 -12.85312 21.79352 
1 1 1    0   23   14 o   76.732   9.2935   41.418   8.5482   36.871   9.9771   53.969   16.577   71.294   10.327   82.169   15.454 -10.87551 18.58709 
1 1 1    0   23   15 o   29.723   9.2594   0.2118   6.8404   2.2742   8.0255  -5.2658   13.079   28.907   12.131   30.538   13.992 -1.631378 18.51882 
1 1 1    0   23   16 o   35.339   9.9949   6.7040   7.2500   9.7785   8.5615  -1.0895   13.631   37.319   13.357   33.359   14.873 3.960533 19.98981 
1 1 1    0   23   17 o   47.966   10.850   18.188   7.5646   18.380   8.9302   17.700   14.233   48.390   13.236   47.542   17.196 0.8486938 21.70032 
1 1 1    0   23   18 o   29.606   9.2147  -8.8160   6.6155 -15.5391   7.6450   11.225   13.199   17.787   8.7782   41.425   16.204 -23.63898 18.42935 
1 1 1    0   23   19 o   27.017   8.8317  -5.4104   6.5312  -7.0287   7.5839  -0.7643   12.850   21.435   10.097   32.599   14.493 -11.16397 17.66347 
1 1 1    0   23   20 o   38.021   10.385   6.7512   6.9924   3.0113   8.1948   16.764   13.409   29.715   12.348   46.326   16.701 -16.61105 20.76986 
1 1 1    0   23   21 f   43.049   9.7611   15.040   7.1672   20.590   8.6385   2.7804   12.839   51.382   12.521   34.716   14.978 16.66623 19.52217 
1 1 1    0   23   22 o   37.369   10.845   7.0761   8.7889   7.5619   12.110   6.5354   12.776   37.496   15.233   37.242   15.441 0.2544479 21.69077 
1 1 1    0   23   23 o   49.379   11.740   20.055   9.2964   18.482   13.000   21.702   13.299   47.749   16.510   51.008   16.694 -3.258907 23.47933 
1 1 1    0   23   24 o   35.839   10.418   3.5754   8.5010  -4.1792   11.322   13.596   12.871   28.675   13.093   43.002   16.208 -14.32638 20.83615 
1 1 1    0   23   25 o   48.859   11.549   19.098   9.1154   13.834   12.299   25.514   13.578   42.950   15.912   54.768   16.743 -11.81799 23.09799 
1 1 1    0   23   26 o   37.534   10.075   1.9026   8.5715 -14.0889   11.554   21.473   12.782   24.439   11.771   50.629   16.353 -26.19062 20.14906 
1 1 1    0   23   27 o   43.463   11.072   12.701   9.0046   3.0881   12.343   23.640   13.166   34.173   14.715   52.752   16.548 -18.57850 22.14394 
1 1 1    0   23   28 o   35.750   10.212   1.6173   8.7840   16.698   12.656 -12.4011   12.202   45.591   16.247   25.910   12.377 19.68109 20.42499 
1 1 1    0   23   29 f   43.551   11.504   14.158   9.3197   19.167   13.236   9.2328   13.125   47.961   16.655   39.141   15.874 8.819458 23.00786 
1 1 1    0   23   30 o   40.633   11.216   11.173   9.0238   7.5503   12.570   15.024   12.962   37.387   15.392   43.879   16.319 -6.491863 22.43263 
1 1 1    0   23   31 o   46.184   16.584   17.571   13.209   17.571   13.209   0.0000   0.0000   46.184   16.584  ?   ?       ?      ? 
1 1 1    0   23   32 o   64.375   16.295   35.696   14.228   35.696   14.228   0.0000   0.0000   64.375   16.295  ?   ?       ?      ? 
1 1 1    0   23   33 o   63.516   16.600   35.250   14.447   35.250   14.447   0.0000   0.0000   63.516   16.600  ?   ?       ?      ? 
1 1 1    0   23   34 o   40.034   15.992   11.068   13.102   11.068   13.102   0.0000   0.0000   40.034   15.992  ?   ?       ?      ? 
1 1 1    0   23   35 o   58.813   17.226   31.318   14.610   31.318   14.610   0.0000   0.0000   58.813   17.226  ?   ?       ?      ? 
1 1 1    0   23   36 o   28.248   13.221  -7.0996   12.647  -7.0996   12.647   0.0000   0.0000   28.248   13.221  ?   ?       ?      ? 
1 1 1    0   23   37 o   31.627   12.965   5.0979   8.8712   5.0979   8.8712   0.0000   0.0000   31.627   12.965  ?   ?       ?      ? 
1 1 1    0   23   38 o   33.404   13.072   7.2683   8.5928   7.2683   8.5928   0.0000   0.0000   33.404   13.072  ?   ?       ?      ? 
1 1 1    0   23   39 o   20.605   9.8636  -8.6194   7.8339  -8.6194   7.8339   0.0000   0.0000   20.605   9.8636  ?   ?       ?      ? 
1 1 1    0   23   40 o   39.961   13.468   13.196   8.6402   13.196   8.6402   0.0000   0.0000   39.961   13.468  ?   ?       ?      ? 
1 1 1    0   23   41 f   51.680   12.837   22.332   8.9497   22.332   8.9497   0.0000   0.0000   51.680   12.837  ?   ?       ?      ? 
1 1 1    0   23   42 f   37.751   13.359   11.676   8.5417   11.676   8.5417   0.0000   0.0000   37.751   13.359  ?   ?       ?      ? 
1 1 1    0   23   43 o   55.117   12.796   25.636   9.3741   25.636   9.3741   0.0000   0.0000   55.117   12.796  ?   ?       ?      ? 
1 1 1    0   23   44 o   42.735   13.618   16.069   8.8871   16.069   8.8871   0.0000   0.0000   42.735   13.618  ?   ?       ?      ? 
1 1 1    0   23   45 o   41.338   13.603   15.148   8.8253   15.148   8.8253   0.0000   0.0000   41.338   13.603  ?   ?       ?      ? 
1 1 1    0   23   46 o   36.915   13.343   11.687   8.5671   11.687   8.5671   0.0000   0.0000   36.915   13.343  ?   ?       ?      ? 
1 1 1    0   23   47 o   33.087   12.943   8.4826   8.4201   8.4826   8.4201   0.0000   0.0000   33.087   12.943  ?   ?       ?      ? 
1 1 1    0   23   48 o   22.414   10.472  -3.9791   7.8764  -3.9791   7.8764   0.0000   0.0000   22.414   10.472  ?   ?       ?      ? 
1 1 1    0   24    0 o   30.292   9.6305  -6.0379   8.1306 -11.0609   10.332   2.1333   13.177   24.561   11.634   36.024   15.350 -11.46363 19.26102 
1 1 1    0   24    1 f   39.259   9.6605   10.723   6.2062   7.7294   7.8655   15.662   10.102   34.151   12.710   44.368   14.552 -10.21776 19.32102 
1 1 1    0   24    2 o   32.806   9.1273   3.3216   6.2431  -2.7266   8.0143   12.657   9.9568   24.732   11.183   40.881   14.428 -16.14920 18.25456 
1 1 1    0   24    3 o   77.243   7.4166   43.420   7.6961   40.503   10.120   47.421   11.852   74.459   10.030   80.027   10.928 -5.567390 14.83324 
1 1 1    0   24    4 o   42.807   9.8214   14.701   6.7307   17.880   8.5369   9.4796   10.942   47.505   12.920   38.109   14.796 9.396179 19.64274 
1 1 1    0   24    5 o   58.642   10.697   27.775   7.7722   27.296   8.9494   29.246   15.678   59.722   11.475   57.563   18.057 2.158821 21.39467 
1 1 1    0   24    6 o   45.283   11.473   13.438   9.1048   5.6559   11.465   26.722   14.980   35.229   14.619   55.337   17.686 -20.10757 22.94595 
1 1 1    0   24    7 o   79.415   12.849   48.283   13.827   48.283   13.827   0.0000   0.0000   79.415   12.849  ?   ?       ?      ? 
1 1 1    0   24    8 o   34.016   12.882   7.4540   8.1549   7.4540   8.1549   0.0000   0.0000   34.016   12.882  ?   ?       ?      ? 
1 1 1    0   24    9 o   55.395   10.422   26.421   7.7001   28.597   9.0553   20.740   14.632   61.199   11.336   49.591   17.492 11.60842 20.84414 
1 1 1    0   24   10 o   29.609   9.3285  -0.1877   6.8339   0.1982   7.9730  -1.2563   13.267   26.796   11.681   32.422   14.548 -5.625244 18.65691 
1 1 1    0   24   11 o   29.180   9.1895  -0.3987   6.5481  -0.6667   7.6326   0.3484   12.744   25.583   11.282   32.776   14.509 -7.192362 18.37904 
1 1 1    0   24   12 f   42.671   9.8002   3.6217   6.9047  -5.6240   7.8964   33.653   14.231   22.648   10.549   62.694   16.519 -40.04549 19.60047 
1 1 1    0   24   13 o   37.993   9.3212   10.611   6.8602   16.876   8.0789  -5.5828   12.989   46.168   12.573   29.817   13.764 16.35017 18.64244 
1 1 1    0   24   14 o   35.293   10.106   6.4097   6.8905   5.3150   8.1273   9.2079   12.994   31.599   12.604   38.988   15.801 -7.389902 20.21174 
1 1 1    0   24   15 o   38.109   10.028   10.517   7.0073   13.183   8.3788   4.3123   12.781   40.996   13.240   35.222   15.065 5.774307 20.05658 
1 1 1    0   24   16 o   31.724   8.6628   3.2189   6.6543   12.248   7.9014 -18.8058   12.341   39.688   12.861   23.760   11.609 15.92766 17.32564 
1 1 1    0   24   17 o   33.153   9.8370   2.0310   6.6331  -1.3309   7.6647   12.059   13.238   25.042   11.159   41.265   16.203 -16.22323 19.67398 
1 1 1    0   24   18 o   29.991   9.1984   1.8561   6.6425   4.0175   7.8232  -3.7273   12.574   29.868   12.201   30.113   13.768 -0.2448273 18.39679 
1 1 1    0   24   19 o   31.032   9.3628   0.6760   6.5147  -3.0333   7.7972   9.2526   11.856   24.009   10.925   38.056   15.208 -14.04690 18.72553 
1 1 1    0   24   20 o   49.379   9.5674   21.981   7.2972   28.585   8.8773   8.2222   12.814   60.970   11.156   37.787   15.546 23.18269 19.13476 
1 1 1    0   24   21 o   45.741   10.406   15.551   6.9374   11.826   8.3413   23.908   12.494   38.992   13.232   52.490   16.064 -13.49794 20.81173 
1 1 1    0   24   22 o   36.334   8.7329  -5.6460   6.5780 -19.6566   7.8717   26.785   11.976   16.712   8.3557   55.957   15.337 -39.24452 17.46581 
1 1 1    0   24   23 o   38.713   10.286   11.202   7.1838   12.536   8.6584   8.2576   12.869   39.812   13.481   37.615   15.539 2.197163 20.57182 
1 1 1    0   24   24 o   48.824   13.436   19.644   9.1695   19.644   9.1695   0.0000   0.0000   48.824   13.436  ?   ?       ?      ? 
1 1 1    0   24   25 o   45.636   13.465   17.199   8.8976   17.199   8.8976   0.0000   0.0000   45.636   13.465  ?   ?       ?      ? 
1 1 1    0   24   26 o   30.847   12.540   4.9354   8.2138   4.9354   8.2138   0.0000   0.0000   30.847   12.540  ?   ?       ?      ? 
1 1 1    0   24   27 o   36.870   13.415   10.341   8.6807   10.341   8.6807   0.0000   0.0000   36.870   13.415  ?   ?       ?      ? 
1 1 1    0   24   28 o   21.312   10.107  -7.2961   7.8413  -7.2961   7.8413   0.0000   0.0000   21.312   10.107  ?   ?       ?      ? 
1 1 1    0   24   29 o   20.838   9.9477  -8.2080   7.8534  -8.2080   7.8534   0.0000   0.0000   20.838   9.9477  ?   ?       ?      ? 
1 1 1    0   24   30 o   21.642   10.176  -5.9089   7.6393  -5.9089   7.6393   0.0000   0.0000   21.642   10.176  ?   ?       ?      ? 
1 1 1    0   24   31 o   27.801   11.911   2.2116   8.0135   2.2116   8.0135   0.0000   0.0000   27.801   11.911  ?   ?       ?      ? 
1 1 1    0   24   32 o   57.788   12.013   27.159   9.1004   27.159   9.1004   0.0000   0.0000   57.788   12.013  ?   ?       ?      ? 
1 1 1    0   24   33 o   20.689   9.9249  -8.7673   8.0263  -8.7673   8.0263   0.0000   0.0000   20.689   9.9249  ?   ?       ?      ? 
1 1 1    0   24   34 o   28.962   12.263   3.4780   8.3188   3.4780   8.3188   0.0000   0.0000   28.962   12.263  ?   ?       ?      ? 
1 1 1    0   24   35 o   18.077   8.9073 -13.8908   7.7666 -13.8908   7.7666   0.0000   0.0000   18.077   8.9073  ?   ?       ?      ? 
1 1 1    0   24   36 o   42.880   15.669   17.209   11.860   17.209   11.860   0.0000   0.0000   42.880   15.669  ?   ?       ?      ? 
1 1 1    0   24   37 o   33.506   14.158   6.9482   11.053   6.9482   11.053   0.0000   0.0000   33.506   14.158  ?   ?       ?      ? 
1 1 1    0   24   38 o   29.608   13.293   1.4343   11.093   1.4343   11.093   0.0000   0.0000   29.608   13.293  ?   ?       ?      ? 
1 1 1    0   24   39 o   23.439   11.248  -8.9312   10.327  -8.9312   10.327   0.0000   0.0000   23.439   11.248  ?   ?       ?      ? 
1 1 1    0   24   40 o   31.029   13.631   4.3787   11.044   4.3787   11.044   0.0000   0.0000   31.029   13.631  ?   ?       ?      ? 
1 1 1    0   25    1 o   40.447   9.8592   13.042   6.4437   12.011   8.2754   14.631   10.270   38.828   13.180   42.066   14.667 -3.237919 19.71840 
1 1 1    0   25    2 o   36.560   9.7128   9.7664   6.4335   9.4925   8.2839   10.183   10.213   35.745   13.090   37.374   14.353 -1.628883 19.42567 
1 1 1    0   25    3 o   51.088   9.0363   22.514   6.9567   30.981   9.1138   10.693   10.769   64.066   10.498   38.110   14.711 25.95658 18.07256 
1 1 1    0   25    4 o   26.558   8.6244  -3.7440   7.0905  -5.1884   10.368  -2.4750   9.7182   26.222   12.172   26.893   12.221 -0.6702766 17.24889 
1 1 1    0   25    5 o   25.876   8.4635  -4.9249   7.0154  -2.3005   10.109  -7.3633   9.7439   27.490   12.482   24.261   11.434 3.229156 16.92704 
1 1 1    0   25    6 o   35.704   10.036   7.8782   7.2958   12.129   11.007   4.5478   9.7433   39.520   14.967   31.889   13.374 7.630999 20.07149 
1 1 1    0   25    7 o   36.502   10.097   9.3184   7.2093   9.5925   10.910   9.1060   9.6055   37.084   14.662   35.920   13.886 1.164211 20.19395 
1 1 1    0   25    8 o   37.196   10.688   8.3580   8.3750   4.7344   10.913   13.550   13.063   33.047   14.022   41.344   16.135 -8.297440 21.37627 
1 1 1    0   25    9 o   30.605   9.2018   3.6146   6.5370   6.0044   7.7125  -2.4820   12.319   31.336   12.347   29.874   13.647 1.461908 18.40367 
1 1 1    0   25   10 o   33.377   9.4305   6.7259   6.7256   10.425   8.0702  -1.6853   12.169   36.643   12.983   30.112   13.681 6.531029 18.86099 
1 1 1    0   25   11 o   21.241   7.2630 -10.3185   6.1111  -6.7061   7.3080 -18.7183   11.144   20.680   9.7930   21.802   10.729 -1.121950 14.52607 
1 1 1    0   25   12 o   25.363   8.3396  -4.1307   6.3402  -4.0643   7.5649  -4.2874   11.623   22.643   10.470   28.083   12.983 -5.440458 16.67918 
1 1 1    0   25   13 o   35.551   10.091   7.8747   6.8381   6.6106   8.0834   11.056   12.823   32.167   12.652   38.935   15.725 -6.767242 20.18288 
1 1 1    0   25   14 o   32.694   12.807   7.0276   8.2546   7.0276   8.2546   0.0000   0.0000   32.694   12.807  ?   ?       ?      ? 
1 1 1    0   25   15 o   36.108   13.353   9.9956   8.6538   9.9956   8.6538   0.0000   0.0000   36.108   13.353  ?   ?       ?      ? 
1 1 1    0   25   16 o   29.609   9.2146   0.7619   6.6768  -1.5740   8.0679   5.8385   11.894   24.960   11.259   34.257   14.590 -9.297297 18.42926 
1 1 1    0   25   17 o   34.606   13.080   8.8567   8.3970   8.8567   8.3970   0.0000   0.0000   34.606   13.080  ?   ?       ?      ? 
1 1 1    0   25   18 o   49.298   13.590   20.895   9.3716   20.895   9.3716   0.0000   0.0000   49.298   13.590  ?   ?       ?      ? 
1 1 1    0   25   19 o   26.577   11.740   0.3964   8.3020   0.3964   8.3020   0.0000   0.0000   26.577   11.740  ?   ?       ?      ? 
1 1 1    0   25   20 o   32.941   12.910   7.5037   8.3897   7.5037   8.3897   0.0000   0.0000   32.941   12.910  ?   ?       ?      ? 
1 1 1    0   25   21 o   39.831   13.554   13.517   8.7521   13.517   8.7521   0.0000   0.0000   39.831   13.554  ?   ?       ?      ? 
1 1 1    0   25   22 o   38.600   13.701   12.594   8.9910   12.594   8.9910   0.0000   0.0000   38.600   13.701  ?   ?       ?      ? 
1 1 1    0   25   23 o   25.106   11.380  -1.4932   8.3576  -1.4932   8.3576   0.0000   0.0000   25.106   11.380  ?   ?       ?      ? 
1 1 1    0   25   24 o   46.337   13.650   19.053   9.1508   19.053   9.1508   0.0000   0.0000   46.337   13.650  ?   ?       ?      ? 
1 1 1    0   25   25 o   43.936   13.699   17.257   9.0387   17.257   9.0387   0.0000   0.0000   43.936   13.699  ?   ?       ?      ? 
1 1 1    0   25   26 o   32.698   13.099   7.5744   8.8182   7.5744   8.8182   0.0000   0.0000   32.698   13.099  ?   ?       ?      ? 
1 1 1    0   25   27 o   35.011   13.247   10.014   8.6174   10.014   8.6174   0.0000   0.0000   35.011   13.247  ?   ?       ?      ? 
1 1 1    0   25   28 o   30.130   12.501   5.4115   8.3814   5.4115   8.3814   0.0000   0.0000   30.130   12.501  ?   ?       ?      ? 
1 1 1    0   25   29 f   32.171   12.781   7.6905   8.3273   7.6905   8.3273   0.0000   0.0000   32.171   12.781  ?   ?       ?      ? 
1 1 1    0   25   30 o   38.817   13.510   13.740   8.7118   13.740   8.7118   0.0000   0.0000   38.817   13.510  ?   ?       ?      ? 
1 1 1    0   26    0 o   44.665   16.476   15.378   13.159   0.0000   0.0000   15.378   13.159  ?   ?    44.665   16.476      ?      ? 
1 1 1    0   26    1 o   41.358   14.231   15.718   9.6529   0.0000   0.0000   15.718   9.6529  ?   ?    41.358   14.231      ?      ? 
1 1 1    0   26    2 o   35.275   13.854   10.038   9.6797   0.0000   0.0000   10.038   9.6797  ?   ?    35.275   13.854      ?      ? 
1 1 1    0   26    3 o   25.608   11.624  -1.0387   8.7595   0.0000   0.0000  -1.0387   8.7595  ?   ?    25.608   11.624      ?      ? 
1 1 1    0   26    4 o   30.270   12.922   4.5939   9.3687   0.0000   0.0000   4.5939   9.3687  ?   ?    30.270   12.922      ?      ? 
1 1 1    0   26    5 o   39.778   14.197   14.408   9.6667   0.0000   0.0000   14.408   9.6667  ?   ?    39.778   14.197      ?      ? 
1 1 1    0   26    6 o   25.292   11.646  -2.3961   9.2151   0.0000   0.0000  -2.3961   9.2151  ?   ?    25.292   11.646      ?      ? 
1 1 1    0   26    8 o   34.064   14.552   7.6922   11.898   7.6922   11.898   0.0000   0.0000   34.064   14.552  ?   ?       ?      ? 
1 1 1    0   26    9 o   48.737   16.318   24.526   12.683   24.526   12.683   0.0000   0.0000   48.737   16.318  ?   ?       ?      ? 
1 1 1    0   26   10 o   19.279   9.6473 -23.0866   10.596 -23.0866   10.596   0.0000   0.0000   19.279   9.6473  ?   ?       ?      ? 
1 1 1    0   26   11 o   45.221   16.195   21.190   12.589   21.190   12.589   0.0000   0.0000   45.221   16.195  ?   ?       ?      ? 
1 1 1    0   26   12 o   27.934   11.841   3.7797   7.7718   3.7797   7.7718   0.0000   0.0000   27.934   11.841  ?   ?       ?      ? 
1 1 1    0   26   13 o   28.540   12.116   4.1311   8.1555   4.1311   8.1555   0.0000   0.0000   28.540   12.116  ?   ?       ?      ? 
1 1 1    0   26   14 o   22.313   10.422  -3.8877   7.7905  -3.8877   7.7905   0.0000   0.0000   22.313   10.422  ?   ?       ?      ? 
1 1 1    1    0    0 o  ?   ?   -0.6029   0.0547   0.0000   0.0000  -0.6029   0.0547  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    1    0    1 o   7.7749   4.4516   0.5191   0.7418   0.0000   0.0000   0.5191   0.7418   7.7749   4.4516   7.7749   4.4516 -0.000000 0.000000 
1 1 1    1    0    2 o   4.0987   2.6095   0.0269   0.3188   0.0000   0.0000   0.0269   0.3188   4.0987   2.6095   4.0987   2.6095 -0.000000 0.000000 
1 1 1    1    0    3 o   6.4218   3.8527   0.2799   0.6018   0.2799   0.6018   0.0000   0.0000   6.4218   3.8527   6.4218   3.8527 -0.000000 0.000000 
1 1 1    1    0    4 o   7.3246   4.3481   0.3923   0.7511   0.3923   0.7511   0.0000   0.0000   7.3246   4.3481   7.3246   4.3481 -0.000000 0.000000 
1 1 1    1    0    7 o  476.902   8.4828  1542.83   54.714  1600.51   78.911  1489.43   75.929  485.491   12.011  468.312   11.982 -0.000000 0.000000 
1 1 1    1    0    8 o  457.260   8.2272  1419.89   50.905  1427.44   72.178  1412.42   71.804  458.472   11.634  456.049   11.636 -0.000000 0.000000 
1 1 1    1    0    9 o  351.242   6.9082  838.046   32.824  842.304   46.510  833.820   46.331  352.134   9.7636  350.351   9.7757 -0.000000 0.000000 
1 1 1    1    0   10 o  459.864   8.2719  1435.71   51.465  1408.04   72.029  1464.56   73.561  455.331   11.691  464.397   11.706 -0.000000 0.000000 
1 1 1    1    0   11 o  747.407   12.243  3791.40  123.809  3694.32  172.260  3895.13  178.068  737.508   17.257  757.307   17.372 -0.000000 0.000000 
1 1 1    1    0   12 o  960.329   15.346  6265.32  199.457  6344.80  284.435  6188.41  279.773  966.324   21.746  954.333   21.659 -0.000000 0.000000 
1 1 1    1    0   13 o  521.822   9.1081  1849.25   64.318  1848.35   90.944  1850.14   90.974  521.695   12.882  521.948   12.880 -0.000000 0.000000 
1 1 1    1    0   14 f  1017.78   16.208  7029.17  223.092  6768.45  307.683  7318.18  323.944  997.903   22.779  1037.66   23.063 -0.000000 0.000000 
1 1 1    1    0   15 o  1283.73   28.528 11211.99  495.728   0.0000   0.0000 11211.99  495.728  1283.73   28.528  1283.73   28.528 -0.000000 0.000000 
1 1 1    1    0   16 o  1000.33   15.958  6796.04  215.963  6598.05  299.514  7010.44  311.685  985.163   22.461  1015.50   22.675 -0.000000 0.000000 
1 1 1    1    0   17 o  206.848   5.5355  291.160   15.460  280.695   21.707  301.934   22.025  203.050   7.9162  210.646   7.7394 -0.000000 0.000000 
1 1 1    1    0   18 o  642.383   10.794  2803.02   93.835  2842.40  133.834  2764.95  131.598  646.825   15.288  637.942   15.242 -0.000000 0.000000 
1 1 1    1    0   19 o  829.439   13.470  4671.80  151.133  4522.56  209.334  4834.29  218.423  815.609   18.963  843.268   19.136 -0.000000 0.000000 
1 1 1    1    0   20 o  408.214   7.6944  1132.06   42.492  1148.83   60.544  1115.79   59.652  411.198   10.882  405.230   10.880 -0.000000 0.000000 
1 1 1    1    0   21 o  118.323   7.4506   96.018   11.838   96.018   11.838   0.0000   0.0000  118.323   7.4506  118.323   7.4506 -0.000000 0.000000 
1 1 1    1    0   22 o  406.159   10.870  1121.08   59.733  1121.08   59.733   0.0000   0.0000  406.159   10.870  406.159   10.870 -0.000000 0.000000 
1 1 1    1    0   23 o  300.905   6.4937  615.286   26.416  633.572   37.831  597.887   36.902  305.280   9.1634  296.530   9.2034 -0.000000 0.000000 
1 1 1    1    0   24 o  191.809   5.5738  250.609   14.430  257.219   20.561  244.193   20.256  194.319   7.8370  189.298   7.9279 -0.000000 0.000000 
1 1 1    1    0   25 o  585.155   10.048  2326.85   79.553  2377.68  113.926  2278.48  111.134  591.397   14.234  578.913   14.185 -0.000000 0.000000 
1 1 1    1    0   26 o  360.484   7.1869  883.236   35.044  875.230   49.396  891.349   49.726  358.834   10.177  362.134   10.151 -0.000000 0.000000 
1 1 1    1    0   27 o  436.543   8.1136  1294.03   47.903  1251.54   66.663  1339.40   68.882  429.124   11.482  443.962   11.467 -0.000000 0.000000 
1 1 1    1    0   28 o  618.398   10.525  2594.87   88.009  2488.87  121.459  2712.06  127.703  605.107   14.832  631.689   14.937 -0.000000 0.000000 
1 1 1    1    0   29 o  677.464   11.346  3118.68  104.019  3170.27  148.583  3069.09  145.670  682.963   16.074  671.965   16.018 -0.000000 0.000000 
1 1 1    1    0   30 o  383.061   7.5010  996.171   38.852  958.399   54.054  1036.54   55.880  375.536   10.641  390.586   10.575 -0.000000 0.000000 
1 1 1    1    0   31 o  796.198   13.037  4308.66  140.487  4340.67  199.689  4277.29  197.684  799.127   18.462  793.269   18.412 -0.000000 0.000000 
1 1 1    1    0   32 o  621.999   14.973  2628.51  126.038   0.0000   0.0000  2628.51  126.038  621.999   14.973  621.999   14.973 -0.000000 0.000000 
1 1 1    1    0   33 o  487.239   12.441  1612.75   82.021   0.0000   0.0000  1612.75   82.021  487.239   12.441  487.239   12.441 -0.000000 0.000000 
1 1 1    1    0   34 o  531.889   9.3953  1918.91   67.571  2004.58   97.889  1840.93   93.389  543.230   13.315  520.548   13.258 -0.000000 0.000000 
1 1 1    1    0   35 o  233.557   6.1250  371.160   19.320  383.228   27.534  359.455   27.117  237.321   8.5870  229.794   8.7366 -0.000000 0.000000 
1 1 1    1    0   36 o  1012.26   16.217  6948.27  221.836  6602.29  303.347  7346.00  325.242  985.242   22.748  1039.27   23.120 -0.000000 0.000000 
1 1 1    1    0   37 o  744.288   12.335  3759.38  124.167  3908.29  179.915  3623.95  171.579  758.355   17.528  730.222   17.361 -0.000000 0.000000 
1 1 1    1    0   40 o  530.254   13.357  1910.60   95.844  1910.60   95.844   0.0000   0.0000  530.254   13.357  530.254   13.357 -0.000000 0.000000 
1 1 1    1    0   41 o  357.991   7.3618  870.308   35.623  828.846   49.614  914.428   51.180  349.165   10.507  366.816   10.314 -0.000000 0.000000 
1 1 1    1    0   42 o  590.173   10.234  2367.30   81.737  2344.73  115.155  2390.23  116.037  587.330   14.488  593.016   14.459 -0.000000 0.000000 
1 1 1    1    0   43 o  801.440   13.188  4365.13  142.971  4504.85  206.385  4236.21  198.245  813.763   18.738  789.117   18.562 -0.000000 0.000000 
1 1 1    1    0   44 o  201.460   6.2557  276.854   16.991  264.388   23.997  289.386   24.060  196.857   9.0389  206.064   8.6507 -0.000000 0.000000 
1 1 1    1    0   45 o  816.717   13.421  4538.08  148.326  4445.24  207.273  4635.52  212.347  808.151   18.950  825.283   19.010 -0.000000 0.000000 
1 1 1    1    0   46 f  371.065   7.5460  936.176   37.868  915.124   53.388  957.492   53.720  366.846   10.760  375.284   10.582 -0.000000 0.000000 
1 1 1    1    0   47 o  526.486   9.4435  1875.01   67.097  1731.77   91.103  2044.81   99.192  504.587   13.344  548.384   13.366 -0.000000 0.000000 
1 1 1    1    0   48 f  829.035   13.623  4677.27  152.748  4846.55  221.144  4522.83  211.233  843.358   19.373  814.712   19.157 -0.000000 0.000000 
1 1 1    1    0   49 o  364.133   10.561  901.881   52.015   0.0000   0.0000  901.881   52.015  364.133   10.561  364.133   10.561 -0.000000 0.000000 
1 1 1    1    0   50 o  401.253   11.161  1095.26   60.581   0.0000   0.0000  1095.26   60.581  401.253   11.161  401.253   11.161 -0.000000 0.000000 
1 1 1    1    0   51 o  525.931   9.4713  1874.89   67.261  1745.99   91.734  2024.76   98.915  506.427   13.388  545.435   13.401 -0.000000 0.000000 
1 1 1    1    0   52 o  437.252   8.3620  1299.89   49.440  1345.19   71.319  1257.98   68.597  444.590   11.857  429.915   11.794 -0.000000 0.000000 
1 1 1    1    0   53 o  169.390   6.3254  196.202   14.416  198.854   20.862  193.778   19.943  170.467   9.0900  168.312   8.7986 -0.000000 0.000000 
1 1 1    1    0   54 o  189.592   6.3547  244.428   16.186  274.502   23.728  218.257   22.135  200.559   8.7687  178.626   9.2001 -0.000000 0.000000 
1 1 1    1    0   55 o  153.196   9.3056  161.051   19.155  161.051   19.155   0.0000   0.0000  153.196   9.3056  153.196   9.3056 -0.000000 0.000000 
1 1 1    1    0   56 o  414.579   8.1555  1168.48   45.690  1100.77   63.164  1242.79   66.170  401.961   11.618  427.197   11.449 -0.000000 0.000000 
1 1 1    1    0   57 o  271.937   6.7544  502.740   24.789  531.274   36.156  477.427   34.054  279.222   9.5809  264.651   9.5233 -0.000000 0.000000 
1 1 1    1    0   58 o   79.489   8.9262   46.048   8.8677   46.452   12.979   45.694   12.144   79.625   13.092   79.353   12.137 -0.000000 0.000000 
1 1 1    1    0   59 o  115.147   7.0037   91.928   10.733   94.697   15.590   89.434   14.797  116.796   10.020  113.498   9.7884 -0.000000 0.000000 
1 1 1    1    0   60 f  249.822   6.6621  425.956   22.468  411.319   31.861  440.437   31.690  245.498   9.6103  254.146   9.2290 -0.000000 0.000000 
1 1 1    1    0   61 o  335.494   7.3633  763.640   33.321  827.870   49.185  709.154   45.301  348.502   10.436  322.485   10.391 -0.000000 0.000000 
1 1 1    1    0   62 o   95.960   7.8113   65.421   9.7261   60.127   14.101   70.225   13.433   91.782   11.887  100.137   10.137 -0.000000 0.000000 
1 1 1    1    0   63 o  139.734   6.7057  134.552   12.544  133.831   18.215  135.203   17.301  139.304   9.7588  140.163   9.1996 -0.000000 0.000000 
1 1 1    1    0   64 o  327.376   7.3327  728.364   32.392  779.247   47.645  684.629   44.172  337.987   10.425  316.765   10.315 -0.000000 0.000000 
1 1 1    1    0   65 o  405.484   11.429  1122.19   62.689   0.0000   0.0000  1122.19   62.689  405.484   11.429  405.484   11.429 -0.000000 0.000000 
1 1 1    1    0   66 o  256.583   6.8666  448.221   23.755  473.746   34.900  426.189   32.425  263.375   9.8094  249.790   9.6113 -0.000000 0.000000 
1 1 1    1    0   67 o  177.640   6.7703  217.275   16.125  201.043   23.179  232.496   22.446  171.013   10.082  184.267   9.0386 -0.000000 0.000000 
1 1 1    1    0   68 o  166.160   6.7016  189.871   14.954  183.361   21.494  195.979   20.818  163.293   9.7940  169.027   9.1500 -0.000000 0.000000 
1 1 1    1    0   69 o  226.709   6.8325  351.749   20.876  329.291   29.355  374.729   29.694  219.286   9.9247  234.132   9.3933 -0.000000 0.000000 
1 1 1    1    0   70 o  345.567   10.927  816.339   51.052  816.339   51.052   0.0000   0.0000  345.567   10.927  345.567   10.927 -0.000000 0.000000 
1 1 1    1    0   71 o  310.250   7.3403  657.153   30.759  689.238   44.493  627.779   42.571  317.521   10.365  302.979   10.396 -0.000000 0.000000 
1 1 1    1    0   72 o  200.489   6.7741  274.023   18.246  306.026   26.944  246.917   24.797  211.341   9.4510  189.637   9.7074 -0.000000 0.000000 
1 1 1    1    0   73 o   54.848   12.202   27.846   9.1008   14.245   13.405   39.476   12.396   37.581   19.796   72.115   14.271 -0.000000 0.000000 
1 1 1    1    0   74 o   88.574   9.1283   56.807   10.234   59.160   15.289   54.896   13.776   90.098   13.393   87.050   12.407 -0.000000 0.000000 
1 1 1    1    0   75 o   86.098   9.3338   53.785   9.9856   63.680   14.873   45.663   13.474   94.134   12.229   78.063   14.104 -0.000000 0.000000 
1 1 1    1    0   76 o  122.755   7.5215  103.927   12.158  126.493   18.354   86.285   16.229  134.879   10.175  110.630   11.080 -0.000000 0.000000 
1 1 1    1    0   77 o  203.310   6.8870  285.204   18.836  267.911   26.838  301.991   26.442  197.057   10.111  209.564   9.3535 -0.000000 0.000000 
1 1 1    1    0   78 o  207.089   6.8341  295.143   19.069  306.980   27.637  284.389   26.343  211.055   9.7099  203.124   9.6195 -0.000000 0.000000 
1 1 1    1    0   79 o  140.075   9.9989  136.652   18.758   0.0000   0.0000  136.652   18.758  140.075   9.9989  140.075   9.9989 -0.000000 0.000000 
1 1 1    1    0   80 o  114.415   7.7947   92.674   11.791   92.362   17.323   92.943   16.094  114.025   11.478  114.805   10.549 -0.000000 0.000000 
1 1 1    1    0   81 o   50.276   13.273   23.884   8.4149   23.963   12.324   23.815   11.517   49.972   19.222   50.579   18.309 -0.000000 0.000000 
1 1 1    1    0   82 o  127.709   7.3519  113.702   12.357  140.281   18.418   91.944   16.664  141.715   9.6947  113.704   11.055 -0.000000 0.000000 
1 1 1    1    0   83 o   76.729   10.535   45.581   9.7594   46.122   13.617   45.009   13.995   77.532   14.426   75.926   15.357 -0.000000 0.000000 
1 1 1    1    0   84 o   84.559   13.573   53.785   14.352   53.785   14.352   0.0000   0.0000   84.559   13.573   84.559   13.573 -0.000000 0.000000 
1 1 1    1    0   85 o   33.268   12.646   11.780   7.9109   10.347   11.300   13.158   11.079   31.647   17.665   34.889   18.101 -0.000000 0.000000 
1 1 1    1    0   86 o  131.037   7.2949  121.845   12.768  123.166   18.222  120.571   17.895  131.724   10.355  130.350   10.278 -0.000000 0.000000 
1 1 1    1    0   87 o   81.296   10.246   51.049   9.9756   62.314   14.597   41.176   13.665   91.618   12.396   70.974   16.318 -0.000000 0.000000 
1 1 1    1    0   88 o   65.882   12.227   37.007   9.4175   36.790   13.749   37.198   12.926   65.029   18.037   66.735   16.513 -0.000000 0.000000 
1 1 1    1    0   89 o   29.942   11.855   7.5993   7.7960   15.545   11.512   0.8680   10.595   37.282   18.652   22.603   14.639 -0.000000 0.000000 
1 1 1    1    0   90 o   43.536   13.020   20.185   8.1245   15.736   12.071   23.870   10.985   37.235   18.993   49.836   17.814 -0.000000 0.000000 
1 1 1    1    0   91 o   32.686   17.394   11.945   10.431   0.0000   0.0000   11.945   10.431   32.686   17.394   32.686   17.394 -0.000000 0.000000 
1 1 1    1    0   92 o   17.494   12.128  -7.0675   9.9649   0.0000   0.0000  -7.0675   9.9649   17.494   12.128   17.494   12.128 -0.000000 0.000000 
1 1 1    1    0   93 o   27.899   16.640   7.5514   11.094   0.0000   0.0000   7.5514   11.094   27.899   16.640   27.899   16.640 -0.000000 0.000000 
1 1 1    1    0   94 o   27.165   16.291   7.0895   10.751   0.0000   0.0000   7.0895   10.751   27.165   16.291   27.165   16.291 -0.000000 0.000000 
1 1 1    1    1    0 o   16.338   7.0332  -0.2960   2.8180  -0.2960   2.8180   0.0000   0.0000   16.338   7.0332  ?   ?       ?      ? 
1 1 1    1    1    1 o   66.092   5.8008   34.627   4.6652  -0.2588   6.2588   78.240   6.9980   24.731   10.559  107.452   4.8059 -82.72167 11.60165 
1 1 1    1    1    2 o  196.447   10.660  211.408   18.948  -0.9732   22.035  813.987   37.117   46.341   19.801  346.554   7.9034 -300.2123 21.31959 
1 1 1    1    1    3 o  460.170   19.895  624.669   67.980   0.2038   72.964  4732.57  187.139   85.121   36.192  835.218   16.534 -750.0974 39.78971 
1 1 1    1    1    4 o   56.284   6.3643   21.469   4.8542   21.469   4.8542   0.0000   0.0000   56.284   6.3643  ?   ?       ?      ? 
1 1 1    1    1    6 o  1101.94   12.324  8238.74  184.021  8167.85  258.823  8311.20  261.690  1097.15   17.408  1106.74   17.449 -9.582397 24.64746 
1 1 1    1    1    7 o  306.083   4.5051  634.754   18.684  650.042   26.646  619.968   26.205  309.708   6.3488  302.458   6.3934 7.249329 9.010192 
1 1 1    1    1    8 o  464.134   5.8728  1459.69   36.933  1433.13   51.707  1487.35   52.770  459.826   8.2981  468.442   8.3128 -8.616852 11.74564 
1 1 1    1    1    9 o  712.905   8.2994  3445.78   80.177  3473.12  113.974  3419.00  112.809  715.703   11.751  710.107   11.723 5.596619 16.59890 
1 1 1    1    1   10 o  871.816   9.9307  5155.12  117.324  5135.63  165.514  5174.80  166.330  870.161   14.036  873.471   14.052 -3.310669 19.86145 
1 1 1    1    1   11 o  547.312   6.6683  2030.53   49.456  2047.17   70.237  2014.15   69.650  549.537   9.4316  545.088   9.4291 4.449524 13.33652 
1 1 1    1    1   13 o  667.769   15.691  3025.79  141.993  3025.79  141.993   0.0000   0.0000  667.769   15.691  ?   ?       ?      ? 
1 1 1    1    1   14 o  713.097   10.221  3487.85   93.929  3324.98  157.794  3577.23  116.895  699.911   16.637  726.283   11.877 -26.37152 20.44118 
1 1 1    1    1   15 o  656.825   10.958  2925.52   97.539  2925.52   97.539   0.0000   0.0000  656.825   10.958  ?   ?       ?      ? 
1 1 1    1    1   16 o  390.104   10.483  1031.96   55.418   0.0000   0.0000  1031.96   55.418  ?   ?   390.104   10.483      ?      ? 
1 1 1    1    1   17 o  915.066   10.379  5680.67  128.669  5563.19  179.458  5804.96  184.582  905.340   14.627  924.792   14.729 -19.45251 20.75796 
1 1 1    1    1   18 o  855.039   13.856  4962.18  160.546  4962.18  160.546   0.0000   0.0000  855.039   13.856  ?   ?       ?      ? 
1 1 1    1    1   19 o  410.989   6.7027  1155.62   35.311  1177.39   43.607  1114.15   60.178  416.725   7.7218  405.253   10.958 11.47202 13.40532 
1 1 1    1    1   20 o  385.122   6.4003  995.292   31.327  975.912   37.997  1036.43   55.358  379.392   7.3905  390.852   10.452 -11.45990 12.80063 
1 1 1    1    1   21 o  783.334   9.0493  4166.34   96.057  4131.96  135.064  4201.52  136.639  780.068   12.777  786.601   12.818 -6.532532 18.09866 
1 1 1    1    1   22 o  555.005   8.3183  2093.72   59.049  2083.93  101.910  2098.67   72.450  553.842   13.578  556.167   9.6128 -2.325256 16.63659 
1 1 1    1    1   23 o  358.647   6.1480  870.755   28.166  877.951   48.896  867.181   34.457  359.684   10.032  357.609   7.1102 2.074615 12.29591 
1 1 1    1    1   24 o  375.482   7.3078  956.087   37.184  956.087   37.184   0.0000   0.0000  375.482   7.3078  ?   ?       ?      ? 
1 1 1    1    1   25 o  527.535   9.2606  1888.15   66.203  1888.15   66.203   0.0000   0.0000  527.535   9.2606  ?   ?       ?      ? 
1 1 1    1    1   26 o  620.041   7.4294  2609.18   62.425  2619.75   88.418  2598.69   88.146  621.293   10.502  618.790   10.512 2.503418 14.85886 
1 1 1    1    1   27 o  451.655   5.8529  1383.16   35.819  1360.53   50.216  1406.61   51.106  447.894   8.2734  455.415   8.2810 -7.521484 11.70571 
1 1 1    1    1   28 o  706.148   8.2868  3384.36   79.299  3387.46  112.164  3381.27  112.128  706.472   11.716  705.825   11.723 0.6466675 16.57369 
1 1 1    1    1   29 o  659.512   11.070  2951.09   98.936  2951.09   98.936   0.0000   0.0000  659.512   11.070  ?   ?       ?      ? 
1 1 1    1    1   30 o  838.871   9.6451  4776.18  109.636  4837.71  156.147  4716.35  153.974  844.198   13.649  833.544   13.631 10.65363 19.29021 
1 1 1    1    1   31 o  860.788   19.723  5038.24  230.068  5038.24  230.068   0.0000   0.0000  860.788   19.723  ?   ?       ?      ? 
1 1 1    1    1   32 o  907.096   20.686  5595.89  254.282  5595.89  254.282   0.0000   0.0000  907.096   20.686  ?   ?       ?      ? 
1 1 1    1    1   33 o  766.904   10.969  4061.09  108.897  4239.94  136.955  3753.62  179.570  790.503   12.785  743.304   17.827 47.19971 21.93762 
1 1 1    1    1   34 f  578.731   9.9919  2273.10   78.361  2256.30  110.492  2290.11  111.149  576.578   14.141  580.883   14.120 -4.305237 19.98372 
1 1 1    1    1   35 o  1276.69   28.511 11119.80  493.265 11119.80  493.265   0.0000   0.0000  1276.69   28.511  ?   ?       ?      ? 
1 1 1    1    1   36 o  959.902   10.904  6252.28  141.797  6407.55  203.720  6106.37  197.487  971.448   15.475  948.355   15.367 23.09253 21.80864 
1 1 1    1    1   37 o  737.905   10.609  3715.09  100.348  3753.85  123.654  3640.33  171.735  743.818   12.268  731.992   17.313 11.82672 21.21864 
1 1 1    1    1   38 o  630.289   9.2842  2667.30   74.170  2616.18   89.744  2777.45  131.741  621.042   10.664  639.536   15.201 -18.49481 18.56836 
1 1 1    1    1   39 o  431.480   7.0447  1252.35   38.693  1292.93   68.026  1232.94   47.044  436.531   11.499  426.428   8.1410 10.10269 14.08946 
1 1 1    1    1   40 o  455.821   7.3417  1413.19   42.805  1398.23   73.760  1420.78   52.562  453.907   11.991  457.735   8.4737 -3.828247 14.68332 
1 1 1    1    1   41 o  698.784   8.2792  3312.88   78.385  3256.17  109.555  3372.36  112.199  692.663   11.672  704.905   11.746 -12.24225 16.55850 
1 1 1    1    1   42 o  788.635   13.033  4223.45  139.280  4223.45  139.280   0.0000   0.0000  788.635   13.033  ?   ?       ?      ? 
1 1 1    1    1   43 o  722.010   12.050  3546.23  117.896  3573.59  167.297  3519.25  166.169  724.778   17.033  719.243   17.049 5.534668 24.09969 
1 1 1    1    1   44 o  302.892   5.9666  623.885   23.063  627.084   28.252  617.494   39.930  304.113   6.8554  301.671   9.7674 2.442688 11.93313 
1 1 1    1    1   45 o  340.505   5.0973  786.098   23.518  802.354   33.518  770.334   33.006  343.973   7.1907  337.038   7.2265 6.934784 10.19453 
1 1 1    1    1   46 o  348.091   5.1532  821.754   24.308  816.718   34.270  826.852   34.483  347.018   7.2876  349.165   7.2878 -2.146454 10.30634 
1 1 1    1    1   47 o  451.350   5.9962  1382.28   36.675  1377.01   51.751  1387.60   51.982  450.485   8.4773  452.214   8.4826 -1.729095 11.99247 
1 1 1    1    1   48 o  713.541   10.345  3458.25   94.219  3489.78  163.801  3442.66  115.180  715.403   16.896  711.679   11.943 3.723755 20.69077 
1 1 1    1    1   49 o  560.123   6.9957  2130.73   53.098  2110.54   74.680  2151.37   75.510  557.441   9.8861  562.805   9.9007 -5.364014 13.99138 
1 1 1    1    1   50 o  528.735   8.1611  1886.62   54.956  1859.34   66.876  1943.37   96.443  523.210   9.4322  534.259   13.321 -11.04919 16.32221 
1 1 1    1    1   51 o  418.584   6.9794  1182.07   37.272  1165.54   45.436  1216.08   65.171  414.343   8.0921  422.826   11.374 -8.482941 13.95875 
1 1 1    1    1   52 o  168.465   4.4100  192.543   10.067  194.169   14.251  190.923   14.225  169.175   6.2160  167.754   6.2573 1.421082 8.819995 
1 1 1    1    1   53 o  244.811   4.5849  406.433   15.206  394.524   21.201  419.047   21.820  241.120   6.4885  248.501   6.4796 -7.381638 9.169793 
1 1 1    1    1   54 o  161.275   5.5425  177.512   11.306  179.074   13.748  174.248   19.870  162.447   6.2450  160.104   9.1585 2.342606 11.08501 
1 1 1    1    1   55 o  128.919   4.6721  112.783   8.1333  125.944   11.684  100.411   11.329  136.223   6.3294  121.615   6.8739 14.60797 9.344102 
1 1 1    1    1   56 f  329.956   10.277  741.157   45.951  741.157   45.951   0.0000   0.0000  329.956   10.277  ?   ?       ?      ? 
1 1 1    1    1   57 o  473.060   6.2546  1521.76   40.093  1543.25   57.103  1500.86   56.305  476.354   8.8460  469.766   8.8447 6.587616 12.50921 
1 1 1    1    1   58 o  334.594   5.1506  760.412   23.350  743.928   32.732  777.494   33.321  330.901   7.2994  338.288   7.2685 -7.386627 10.30114 
1 1 1    1    1   59 o  283.051   4.8349  544.214   18.545  538.882   26.144  549.615   26.310  281.654   6.8496  284.448   6.8256 -2.793457 9.669877 
1 1 1    1    1   60 o  178.527   4.5154  216.397   10.919  207.528   15.307  225.586   15.581  174.798   6.4621  182.255   6.3085 -7.456863 9.030839 
1 1 1    1    1   61 o  178.147   4.5166  215.583   10.901  209.746   15.375  221.483   15.458  175.717   6.4569  180.577   6.3171 -4.859589 9.033139 
1 1 1    1    1   62 o   94.330   5.3146   60.640   6.7792   57.317   9.7156   63.794   9.4638   91.792   7.8106   96.868   7.2095 -5.075768 10.62929 
1 1 1    1    1   63 o   96.269   5.3122   63.045   6.9212   62.910   10.039   63.166   9.5550   96.161   7.7040   96.376   7.3161 -0.2148056 10.62432 
1 1 1    1    1   64 o  270.542   5.8204  493.383   20.131  513.360   35.142  483.625   24.560  274.367   9.4517  266.718   6.7950 7.649323 11.64072 
1 1 1    1    1   65 o  156.131   4.6807  165.593   9.8914  177.335   14.192  154.501   13.794  161.520   6.4837  150.742   6.7527 10.77760 9.361453 
1 1 1    1    1   66 o  250.780   5.8293  431.046   18.803  436.908   23.279  420.043   31.893  253.467   6.7774  248.092   9.4863 5.375290 11.65863 
1 1 1    1    1   67 o   93.583   5.8397   59.892   7.3605   52.147   10.384   67.713   10.435   87.447   8.7624   99.719   7.7221 -12.27241 11.67950 
1 1 1    1    1   68 o  174.780   4.7390  207.790   11.224  209.159   15.963  206.452   15.785  175.348   6.7177  174.212   6.6861 1.135223 9.477946 
1 1 1    1    1   69 o  241.194   5.9349  395.924   18.202  394.329   22.176  399.218   31.866  240.723   6.7980  241.666   9.7303 -0.9434814 11.86980 
1 1 1    1    1   70 o  199.588   4.7590  271.142   12.871  268.623   18.203  273.662   18.203  198.656   6.7617  200.519   6.6988 -1.863129 9.518079 
1 1 1    1    1   71 o  184.524   5.9572  237.260   13.930  218.525   23.955  246.831   17.122  178.639   9.8955  190.409   6.6356 -11.76991 11.91441 
1 1 1    1    1   72 o  207.156   4.7595  292.226   13.359  299.128   19.107  285.626   18.684  209.549   6.7286  204.764   6.7333 4.784653 9.519022 
1 1 1    1    1   73 o   61.012   7.8543   26.346   6.2932   22.007   9.0199   30.462   8.7847   55.387   12.334   66.636   9.7281 -11.24903 15.70867 
1 1 1    1    1   74 o   96.452   5.6701   63.665   7.4070   62.029   10.553   65.253   10.399   95.212   8.1792   97.692   7.8548 -2.480072 11.34011 
1 1 1    1    1   75 o  143.875   4.8730  141.383   9.4990  139.018   13.488  143.711   13.380  142.667   6.9767  145.083   6.8052 -2.416092 9.746058 
1 1 1    1    1   76 o  135.680   4.9740  125.923   9.1383  119.967   12.900  131.921   12.947  132.431   7.1884  138.928   6.8768 -6.496826 9.948055 
1 1 1    1    1   77 o  150.168   4.9099  154.363   9.9886  150.410   14.152  158.288   14.101  148.230   7.0451  152.107   6.8408 -3.876984 9.819874 
1 1 1    1    1   78 o  228.952   5.8812  359.824   17.238  364.211   29.776  357.612   21.142  229.406   9.5780  228.497   6.8277 0.9079590 11.76245 
1 1 1    1    1   79 o  145.767   4.9609  145.822   9.7965  146.058   14.035  145.598   13.680  145.859   7.1007  145.674   6.9300 0.1849060 9.921887 
1 1 1    1    1   80 o  124.100   6.0289  103.991   9.7648   97.449   12.104  116.184   16.525  118.940   7.5097  129.260   9.4338 -10.32013 12.05788 
1 1 1    1    1   81 o   87.931   5.9599   53.631   7.1005   52.662   10.060   54.592   10.023   87.118   8.5214   88.745   8.3346 -1.626755 11.91974 
1 1 1    1    1   82 o   38.751   8.9306   9.9420   5.6926   4.7214   7.9717   15.375   8.1318   31.936   12.563   45.566   12.696 -13.63049 17.86111 
1 1 1    1    1   83 f   56.749   9.4083   25.157   7.0389   28.297   8.6503   19.006   12.110   63.301   10.084   50.197   15.886 13.10482 18.81653 
1 1 1    1    1   84 o   90.198   5.9519   57.246   7.2168   49.497   10.256   64.846   10.156   83.905   9.0204   96.491   7.7674 -12.58624 11.90372 
1 1 1    1    1   85 o  114.359   6.5574   92.671   9.5466   92.023   16.539   92.995   11.691  113.209   10.780  115.509   7.4688 -2.300804 13.11489 
1 1 1    1    1   86 o   69.624   6.8179   34.570   6.4326   34.651   9.0711   34.488   9.1232   69.721   9.6010   69.527   9.6829 0.1938553 13.63589 
1 1 1    1    1   87 f   81.944   6.1631   47.616   6.8304   43.898   9.5720   51.474   9.7499   78.568   8.9903   85.320   8.4327 -6.752480 12.32622 
1 1 1    1    1   88 f   50.441   8.5953   19.627   5.8763   24.049   8.3491   15.286   8.2721   56.438   11.311   44.445   12.946 11.99266 17.19065 
1 1 1    1    1   89 o   42.721   9.0527   14.124   5.6593   14.794   7.9641   13.442   8.0436   43.662   12.698   41.780   12.906 1.882298 18.10531 
1 1 1    1    1   90 o   63.160   8.9409   30.513   7.2430   31.233   12.006   30.102   9.0819   62.215   14.507   64.105   10.454 -1.889637 17.88180 
1 1 1    1    1   91 o   47.397   9.9704   17.488   6.6634   20.944   11.169   15.579   8.3028   50.391   15.138   44.402   12.980 5.988800 19.94070 
1 1 1    1    1   92 o   59.904   10.793   29.994   8.7832   30.098   12.638   29.897   12.215   59.855   15.469   59.953   15.056 -0.9786224E-01 21.58675 
1 1 1    1    1   93 o   52.836   10.958   24.129   8.9155   14.490   13.042   32.584   12.215   43.052   16.295   62.620   14.654 -19.56868 21.91500 
1 1 1    1    1   94 o   63.569   15.928   35.203   13.693   35.203   13.693   0.0000   0.0000   63.569   15.928  ?   ?       ?      ? 
1 1 1    1    1   95 o   35.594   14.848   7.1037   11.914   7.1037   11.914   0.0000   0.0000   35.594   14.848  ?   ?       ?      ? 
1 1 1    1    2    0 o  425.432   5.5296  1226.61   31.878  1214.79   44.854  1238.68   45.314  423.361   7.8182  427.504   7.8219 -4.143433 11.05921 
1 1 1    1    2    1 o  661.476   7.7750  2966.40   69.694  2963.28   98.485  2969.52   98.641  661.129   10.993  661.824   10.998 -0.6955566 15.55002 
1 1 1    1    2    2 o  1059.64   11.860  7617.42  170.302  7549.02  239.366  7687.52  242.347  1054.82   16.746  1064.45   16.801 -9.627563 23.72091 
1 1 1    1    2    3 o  1090.88   12.192  8074.62  180.234  8068.84  254.676  8080.41  255.102  1090.48   17.234  1091.27   17.250 -0.7801514 24.38420 
1 1 1    1    2    4 o  609.464   10.278  2518.09   84.888   0.0000   0.0000  2518.09   84.888  ?   ?   609.464   10.278      ?      ? 
1 1 1    1    2    6 o  670.649   7.8873  3049.17   71.679  3075.70  101.915  3023.20  100.832  673.536   11.166  667.763   11.143 5.772278 15.77459 
1 1 1    1    2    7 o  517.035   6.3867  1812.05   44.748  1816.85   63.377  1807.28   63.191  517.718   9.0334  516.352   9.0307 1.365662 12.77330 
1 1 1    1    2    9 o  555.890   6.7651  2094.75   50.961  2107.21   72.286  2082.44   71.857  557.533   9.5675  554.246   9.5672 3.286560 13.53027 
1 1 1    1    2   10 o  804.822   11.321  4398.98  116.501  4383.57  201.261  4406.75  142.870  803.569   18.482  806.075   13.079 -2.505798 22.64200 
1 1 1    1    2   11 o  628.076   9.1369  2663.11   73.106  2711.65  127.909  2639.57   89.093  632.204   14.930  623.949   10.537 8.255371 18.27373 
1 1 1    1    2   13 o  1371.62   15.218 12785.70  282.858 12781.24  399.673 12790.17  400.371  1371.39   21.506  1371.86   21.536 -0.4730225 30.43557 
1 1 1    1    2   16 o  490.261   7.5253  1614.64   46.919  1586.20   56.967  1674.62   82.729  483.689   8.6910  496.833   12.288 -13.14337 15.05051 
1 1 1    1    2   17 o  368.966   7.1898  922.854   35.949  922.854   35.949   0.0000   0.0000  368.966   7.1898  ?   ?       ?      ? 
1 1 1    1    2   18 o  253.457   5.1732  432.192   16.681  426.016   20.275  445.130   29.345  250.700   5.9679  256.214   8.4517 -5.513657 10.34636 
1 1 1    1    2   19 o  229.132   5.7405  355.874   17.824  355.874   17.824   0.0000   0.0000  229.132   5.7405  ?   ?       ?      ? 
1 1 1    1    2   20 o  423.520   5.5809  1216.15   32.027  1236.68   45.620  1196.19   44.974  427.045   7.8832  419.994   7.9020 7.050232 11.16181 
1 1 1    1    2   21 o  493.996   6.2166  1655.34   41.616  1657.27   58.832  1653.40   58.875  494.286   8.7832  493.707   8.8000 0.5788879 12.43317 
1 1 1    1    2   22 f  457.121   5.8910  1417.31   36.492  1428.68   51.780  1406.08   51.437  458.944   8.3256  455.298   8.3367 3.645813 11.78201 
1 1 1    1    2   23 o  494.476   12.456  1660.76   83.467  1660.76   83.467   0.0000   0.0000  494.476   12.456  ?   ?       ?      ? 
1 1 1    1    2   24 o  610.085   7.3321  2526.16   60.618  2535.82   85.875  2516.56   85.579  611.248   10.367  608.922   10.371 2.327026 14.66424 
1 1 1    1    2   25 o  606.172   7.2962  2493.61   59.934  2507.86   85.006  2479.52   84.514  607.895   10.319  604.450   10.318 3.445313 14.59245 
1 1 1    1    2   26 o  436.951   5.7243  1294.72   33.894  1282.31   47.680  1307.41   48.191  434.834   8.0915  439.068   8.0994 -4.234222 11.44869 
1 1 1    1    2   27 o  668.611   7.9223  3033.68   71.779  3016.82  101.099  3050.83  101.928  666.738   11.189  670.483   11.218 -3.744873 15.84466 
1 1 1    1    2   28 o  776.391   9.0174  4090.73   94.861  4160.79  135.441  4023.27  132.903  782.912   12.766  769.869   12.739 13.04346 18.03471 
1 1 1    1    2   29 o  647.659   10.941  2829.98   95.689  3092.88  142.708  2615.22  128.981  674.791   15.606  620.526   15.338 54.26471 21.88200 
1 1 1    1    2   30 o  579.858   10.026  2280.34   78.786   0.0000   0.0000  2280.34   78.786  ?   ?   579.858   10.026      ?      ? 
1 1 1    1    2   31 o  857.229   9.8297  4986.52  114.176  5055.61  162.916  4919.84  160.061  863.060   13.930  851.398   13.873 11.66180 19.65949 
1 1 1    1    2   32 o  833.369   13.572  4713.10  153.267  4713.10  153.267   0.0000   0.0000  833.369   13.572  ?   ?       ?      ? 
1 1 1    1    2   33 o  1093.71   12.313  8123.97  182.466  8018.92  255.520  8233.28  260.648  1086.51   17.354  1100.92   17.471 -14.40735 24.62531 
1 1 1    1    2   34 o  1155.83   15.864  9118.76  234.840  9178.70  288.890  9001.98  403.229  1162.26   18.342  1149.41   25.888 12.84851 31.72715 
1 1 1    1    2   35 o  1111.58   17.629  8394.36  265.555  8394.36  265.555   0.0000   0.0000  1111.58   17.629  ?   ?       ?      ? 
1 1 1    1    2   36 o  665.664   9.6947  2981.80   81.908  2935.61   99.317  3080.04  144.829  657.860   11.141  673.468   15.869 -15.60803 19.38932 
1 1 1    1    2   37 o  863.561   9.9019  5062.13  115.877  5066.92  163.892  5057.35  163.856  863.970   13.998  863.153   14.009 0.8171387 19.80385 
1 1 1    1    2   38 o  669.968   7.9758  3044.32   72.401  2997.59  101.293  3093.13  103.525  664.715   11.245  675.220   11.314 -10.50476 15.95170 
1 1 1    1    2   39 o  536.157   6.6964  1949.22   48.648  1921.84   68.172  1977.63   69.444  532.322   9.4503  539.991   9.4900 -7.668762 13.39286 
1 1 1    1    2   40 o  999.883   22.707  6814.55  307.673  6814.55  307.673   0.0000   0.0000  999.883   22.707  ?   ?       ?      ? 
1 1 1    1    2   41 o  663.824   15.883  2995.22  142.876  2995.22  142.876   0.0000   0.0000  663.824   15.883  ?   ?       ?      ? 
1 1 1    1    2   42 o  886.015   14.361  5333.90  172.425  5333.90  172.425   0.0000   0.0000  886.015   14.361  ?   ?       ?      ? 
1 1 1    1    2   43 o  863.876   9.9412  5070.27  116.372  5023.06  163.530  5118.71  165.640  859.807   14.035  867.946   14.083 -8.139526 19.88236 
1 1 1    1    2   44 o  560.075   6.9497  2128.36   52.743  2155.01   75.067  2102.37   74.123  563.537   9.8297  556.613   9.8269 6.924438 13.89938 
1 1 1    1    2   45 o  462.910   6.0738  1453.70   38.100  1465.61   54.069  1441.95   53.696  464.794   8.5844  461.027   8.5948 3.766937 12.14753 
1 1 1    1    2   46 o  297.111   5.8553  598.141   22.251  601.189   38.498  596.612   27.268  297.616   9.5454  296.607   6.7840 1.009155 11.71057 
1 1 1    1    2   47 o  493.932   12.687  1658.63   84.919  1658.63   84.919   0.0000   0.0000  493.932   12.687  ?   ?       ?      ? 
1 1 1    1    2   48 o  601.710   9.0677  2470.98   69.839  2488.56   85.869  2436.64  120.034  605.264   10.469  598.155   14.808 7.108459 18.13534 
1 1 1    1    2   49 o  425.581   5.8032  1229.36   33.468  1237.07   47.281  1221.62   47.380  426.921   8.1725  424.241   8.2413 2.680389 11.60644 
1 1 1    1    2   50 o  577.682   7.1480  2266.17   55.938  2333.93   80.361  2202.49   77.911  586.051   10.119  569.313   10.099 16.73749 14.29595 
1 1 1    1    2   51 o  532.120   8.1974  1892.93   55.198  1835.27   66.529  2020.29   98.877  519.719   9.4462  544.521   13.400 -24.80212 16.39472 
1 1 1    1    2   52 o  219.053   6.3383  325.570   18.815  325.570   18.815   0.0000   0.0000  219.053   6.3383  ?   ?       ?      ? 
1 1 1    1    2   53 o  274.548   5.8838  517.234   20.533  527.446   25.155  496.846   35.543  278.776   6.6585  270.320   9.7026 8.456329 11.76761 
1 1 1    1    2   54 o  134.196   4.5627  122.202   8.2964  124.859   11.813  119.615   11.655  135.636   6.4269  132.755   6.4783 2.880875 9.125396 
1 1 1    1    2   55 o  274.622   6.7188  511.993   25.004  511.993   25.004   0.0000   0.0000  274.622   6.7188  ?   ?       ?      ? 
1 1 1    1    2   56 f  267.006   4.7277  484.023   17.104  474.470   24.102  493.715   24.278  264.349   6.7281  269.664   6.6436 -5.314667 9.455403 
1 1 1    1    2   57 o  277.851   5.8435  512.505   20.566  559.313   36.954  491.504   24.753  286.674   9.5125  269.027   6.7897 17.64709 11.68706 
1 1 1    1    2   58 o  130.979   4.6609  116.398   8.2690  120.850   11.899  112.240   11.500  133.400   6.5822  128.559   6.6008 4.840607 9.321829 
1 1 1    1    2   59 o  232.973   4.5981  368.357   14.509  385.963   20.806  351.690   20.243  238.394   6.4403  227.553   6.5645 10.84085 9.196190 
1 1 1    1    2   60 o  188.132   4.5103  240.276   11.495  248.301   16.448  232.613   16.072  191.203   6.3480  185.060   6.4090 6.143112 9.020626 
1 1 1    1    2   61 o  310.160   5.0226  653.810   21.109  661.320   30.036  646.480   29.673  311.919   7.1059  308.401   7.1002 3.518829 10.04522 
1 1 1    1    2   62 o  193.811   5.5903  254.825   13.833  257.788   24.050  253.360   16.910  194.517   9.1238  193.104   6.4621 1.413162 11.18051 
1 1 1    1    2   63 o  127.257   5.8067  106.838   9.4563  120.505   16.760  100.454   11.454  132.958   9.3019  121.555   6.9532 11.40299 11.61345 
1 1 1    1    2   64 o  340.575   5.2606  789.088   24.278  796.546   34.473  781.748   34.198  342.173   7.4344  338.978   7.4447 3.195129 10.52115 
1 1 1    1    2   65 o  166.312   4.6663  187.989   10.515  193.119   15.004  183.038   14.740  168.543   6.5691  164.080   6.6290 4.463165 9.332600 
1 1 1    1    2   66 o  342.967   7.5174  800.660   34.938  800.660   34.938   0.0000   0.0000  342.967   7.5174  ?   ?       ?      ? 
1 1 1    1    2   67 o  287.321   7.0550  561.724   27.469  561.724   27.469   0.0000   0.0000  287.321   7.0550  ?   ?       ?      ? 
1 1 1    1    2   68 o  181.930   5.8841  226.818   13.574  229.004   16.552  222.327   23.722  183.478   6.6571  180.382   9.7044 3.095825 11.76825 
1 1 1    1    2   69 o  206.480   4.7117  290.128   13.181  283.292   18.628  296.983   18.654  204.034   6.7373  208.925   6.5886 -4.891754 9.423444 
1 1 1    1    2   70 o  242.016   4.8184  398.585   15.792  378.244   22.101  419.803   22.572  235.692   6.9197  248.340   6.7072 -12.64771 9.636843 
1 1 1    1    2   71 o  159.337   4.8099  172.897   10.383  173.533   14.875  172.293   14.499  159.614   6.8771  159.061   6.7266 0.5532990 9.619807 
1 1 1    1    2   72 o  139.385   6.2490  135.653   10.944  125.306   19.134  140.684   13.341  135.089   10.452  143.681   6.8518 -8.591568 12.49793 
1 1 1    1    2   73 o  186.479   4.7688  237.038   12.049  239.583   17.207  234.590   16.879  187.456   6.7735  185.502   6.7146 1.953659 9.537609 
1 1 1    1    2   74 o  168.080   4.7954  192.294   10.897  211.800   15.802  174.608   15.047  176.215   6.6174  159.944   6.9420 16.27118 9.590719 
1 1 1    1    2   75 o  109.160   5.3565   81.470   7.9181   82.979   11.452   80.088   10.960  110.114   7.6748  108.206   7.4742 1.907761 10.71290 
1 1 1    1    2   76 o   79.027   8.7673   42.937   9.3891   0.0000   0.0000   42.937   9.3891  ?   ?    79.027   8.7673      ?      ? 
1 1 1    1    2   77 o  116.298   6.6681   98.358   9.5971   80.028   16.550  107.645   11.780  107.197   11.393  125.399   6.9321 -18.20227 13.33611 
1 1 1    1    2   78 o  114.299   5.3200   89.492   8.2222   98.206   11.937   81.625   11.342  119.611   7.3643  108.986   7.6795 10.62517 10.63991 
1 1 1    1    2   79 o  164.154   4.8164  184.779   10.711  190.851   15.334  178.994   14.968  166.794   6.7842  161.514   6.8385 5.279984 9.632812 
1 1 1    1    2   80 o   68.030   6.9221   32.267   6.3792   32.514   9.1569   32.034   8.8920   68.261   9.8991   67.799   9.6783 0.4624176 13.84415 
1 1 1    1    2   81 o   94.591   8.2833   62.048   10.618   62.048   10.618   0.0000   0.0000   94.591   8.2833  ?   ?       ?      ? 
1 1 1    1    2   82 o   99.089   6.9309   66.487   8.8279   61.520   10.725   76.920   15.545   94.020   8.4178  104.158   11.013 -10.13740 13.86190 
1 1 1    1    2   83 o   94.980   8.1821   62.873   10.531   62.873   10.531   0.0000   0.0000   94.980   8.1821  ?   ?       ?      ? 
1 1 1    1    2   84 o   62.835   7.6928   29.459   6.2082   20.877   8.9210   37.517   8.6449   52.570   12.671   73.100   8.7269 -20.52957 15.38557 
1 1 1    1    2   85 o   73.179   8.8031   42.602   7.6241   32.344   13.313   47.607   9.3000   64.030   15.508   82.329   8.3359 -18.29868 17.60612 
1 1 1    1    2   86 f   83.656   7.4805   50.895   7.8403   49.215   13.847   51.688   9.5121   81.614   12.520   85.697   8.1908 -4.082787 14.96099 
1 1 1    1    2   87 o   59.947   7.6238   26.579   5.9702   33.663   8.6296   20.076   8.2683   68.666   9.2740   51.227   12.103 17.43944 15.24763 
1 1 1    1    2   88 o   58.214   7.9166   26.076   6.0613   13.697   8.4578   39.145   8.6907   42.251   13.264   74.178   8.6457 -31.92702 15.83318 
1 1 1    1    2   89 o   41.714   9.9454   11.429   6.5009   20.034   11.291   7.1621   7.9509   49.696   15.281   33.732   12.733 15.96358 19.89086 
1 1 1    1    2   90 o   36.295   9.7609   7.3300   6.3629   13.450   11.106   4.3397   7.7633   42.209   15.201   30.382   12.248 11.82673 19.52171 
1 1 1    1    2   91 o   41.317   10.073   13.236   6.7276   11.301   11.632   14.208   8.2470   40.131   15.340   42.504   13.058 -2.373203 20.14536 
1 1 1    1    2   92 o   33.908   9.6422   6.4422   6.6249   3.4661   11.731   7.8359   8.0275   33.618   14.408   34.198   12.818 -0.5798798 19.28448 
1 1 1    1    2   93 o   45.156   16.514   16.876   13.179   16.876   13.179   0.0000   0.0000   45.156   16.514  ?   ?       ?      ? 
1 1 1    1    2   95 o   28.451   13.131  -4.0647   11.815  -4.0647   11.815   0.0000   0.0000   28.451   13.131  ?   ?       ?      ? 
1 1 1    1    2   96 o   23.410   11.380 -14.4687   11.450 -14.4687   11.450   0.0000   0.0000   23.410   11.380  ?   ?       ?      ? 
1 1 1    1    3    0 f  1100.13   12.291  8213.29  183.240  8241.74  259.729  8185.09  258.555  1102.02   17.392  1098.23   17.373 3.791626 24.58256 
1 1 1    1    3    1 o  582.342   7.0153  2298.90   55.361  2312.45   78.548  2285.52   78.038  584.047   9.9244  580.637   9.9179 3.409729 14.03068 
1 1 1    1    3    2 o  465.847   5.9178  1470.15   37.348  1433.60   52.098  1508.79   53.569  459.895   8.3594  471.799   8.3786 -11.90488 11.83563 
1 1 1    1    3    3 f  608.971   7.2812  2512.92   60.072  2457.11   83.825  2571.83   86.130  602.024   10.275  615.917   10.319 -13.89240 14.56234 
1 1 1    1    3    4 o  743.142   8.6136  3744.95   86.744  3747.95  122.713  3741.96  122.637  743.439   12.180  742.845   12.183 0.5941772 17.22729 
1 1 1    1    3    5 o  642.002   8.7856  2783.04   65.989  2771.29   76.006  2819.01  132.995  639.399   8.7718  644.605   15.225 -5.205444 17.57117 
1 1 1    1    3    6 o  951.456   13.206  6205.25  161.840  5951.40  272.663  6343.34  201.095  935.983   21.497  966.928   15.347 -30.94507 26.41298 
1 1 1    1    3    7 o  593.730   8.7327  2364.50   65.817  2464.87  116.605  2317.57   79.733  602.788   14.275  584.673   10.063 18.11487 17.46546 
1 1 1    1    3    8 o  264.466   4.2594  474.003   15.265  472.290   21.541  475.730   21.636  263.986   6.0214  264.946   6.0261 -0.9595642 8.518850 
1 1 1    1    3    9 o  948.936   10.742  6109.06  138.126  6035.08  193.706  6185.59  197.015  943.096   15.157  954.777   15.227 -11.68109 21.48459 
1 1 1    1    3   11 o  716.389   8.3525  3480.70   81.087  3482.44  114.684  3478.96  114.663  716.568   11.810  716.210   11.814 0.3576660 16.70502 
1 1 1    1    3   12 f  1066.60   11.956  7724.37  172.807  7699.04  243.803  7749.95  244.974  1064.85   16.895  1068.36   16.921 -3.511597 23.91165 
1 1 1    1    3   13 o  952.032   15.290  6152.56  197.255   0.0000   0.0000  6152.56  197.255  ?   ?   952.032   15.290      ?      ? 
1 1 1    1    3   14 o  427.323   11.241  1238.61   65.092   0.0000   0.0000  1238.61   65.092  ?   ?   427.323   11.241      ?      ? 
1 1 1    1    3   16 o  470.837   7.3213  1488.95   43.815  1461.81   53.164  1546.40   77.361  464.306   8.4495  477.368   11.959 -13.06262 14.64257 
1 1 1    1    3   18 o  623.858   7.4560  2640.94   63.034  2644.96   89.168  2636.92   89.119  624.334   10.539  623.383   10.550 0.9509277 14.91206 
1 1 1    1    3   19 o  652.872   7.7501  2892.80   68.565  2869.55   96.418  2916.59   97.522  650.221   10.942  655.524   10.978 -5.303650 15.50022 
1 1 1    1    3   20 o  412.461   5.4931  1153.72   30.703  1147.37   43.257  1160.17   43.585  411.317   7.7606  413.604   7.7762 -2.287018 10.98619 
1 1 1    1    3   21 o  316.695   4.7179  679.957   20.246  671.017   28.445  689.138   28.825  314.585   6.6723  318.805   6.6720 -4.219421 9.435896 
1 1 1    1    3   22 o  711.375   16.689  3443.97  160.883  3443.97  160.883   0.0000   0.0000  711.375   16.689  ?   ?       ?      ? 
1 1 1    1    3   23 o  571.430   8.5472  2228.85   62.663  2181.77  107.006  2253.42   77.304  566.603   13.936  576.257   9.8993 -9.654358 17.09432 
1 1 1    1    3   24 f  489.910   7.5761  1622.78   47.348  1610.77   57.802  1647.27   82.548  487.302   8.7531  492.518   12.368 -5.216187 15.15214 
1 1 1    1    3   25 o  437.078   8.0864  1295.86   47.881  1258.04   66.777  1335.88   68.690  430.517   11.446  443.638   11.426 -13.12085 16.17272 
1 1 1    1    3   26 o  256.713   8.6476  446.934   30.083  446.934   30.083   0.0000   0.0000  256.713   8.6476  ?   ?       ?      ? 
1 1 1    1    3   27 o  325.636   9.6594  719.216   42.625  719.216   42.625   0.0000   0.0000  325.636   9.6594  ?   ?       ?      ? 
1 1 1    1    3   28 o  313.204   5.8029  661.529   23.223  675.841   40.424  654.480   28.372  315.685   9.4495  310.723   6.7380 4.961365 11.60575 
1 1 1    1    3   29 o  352.720   7.1451  843.366   34.152  843.366   34.152   0.0000   0.0000  352.720   7.1451  ?   ?       ?      ? 
1 1 1    1    3   30 o  494.590   6.2908  1658.27   42.159  1635.20   59.097  1682.17   60.161  491.089   8.8802  498.091   8.9130 -7.002228 12.58169 
1 1 1    1    3   31 o  380.749   7.4940  982.734   38.667  982.734   38.667   0.0000   0.0000  380.749   7.4940  ?   ?       ?      ? 
1 1 1    1    3   32 o  687.020   11.472  3201.63  106.804  3201.63  106.804   0.0000   0.0000  687.020   11.472  ?   ?       ?      ? 
1 1 1    1    3   33 o  785.601   11.164  4139.99  110.955  4052.64  133.971  4330.75  197.985  772.848   12.792  798.353   18.300 -25.50427 22.32773 
1 1 1    1    3   34 o  481.211   8.7357  1570.03   56.966  1570.03   56.966   0.0000   0.0000  481.211   8.7357  ?   ?       ?      ? 
1 1 1    1    3   35 o  453.789   7.2330  1372.20   41.568  1330.25   50.130  1464.53   74.371  442.952   8.3514  464.626   11.812 -21.67450 14.46599 
1 1 1    1    3   36 o  611.416   7.3956  2535.26   61.273  2510.13   86.083  2561.05   87.233  608.347   10.442  614.484   10.476 -6.137451 14.79116 
1 1 1    1    3   38 o  942.205   10.730  6029.65  137.004  6074.95  194.504  5985.04  193.010  945.717   15.177  938.693   15.173 7.023804 21.46073 
1 1 1    1    3   39 o  698.967   8.2638  3315.46   78.274  3329.60  110.861  3301.41  110.532  700.453   11.679  697.480   11.694 2.972961 16.52760 
1 1 1    1    3   40 o  374.652   7.5276  951.730   38.218  951.730   38.218   0.0000   0.0000  374.652   7.5276  ?   ?       ?      ? 
1 1 1    1    3   41 o  677.925   9.9312  3145.72   86.538  3047.04  146.801  3198.27  107.131  669.423   16.182  686.427   11.517 -17.00409 19.86234 
1 1 1    1    3   42 o  770.023   12.703  4026.68  132.555  4026.68  132.555   0.0000   0.0000  770.023   12.703  ?   ?       ?      ? 
1 1 1    1    3   43 o  451.586   5.9895  1380.71   36.619  1319.03   50.510  1449.05   53.165  440.975   8.4525  462.196   8.4882 -21.22073 11.97891 
1 1 1    1    3   44 o  508.823   9.1777  1756.70   63.283  1756.70   63.283   0.0000   0.0000  508.823   9.1777  ?   ?       ?      ? 
1 1 1    1    3   45 f  331.191   6.1595  745.975   26.116  738.955   44.938  749.555   32.091  329.935   10.051  332.447   7.1234 -2.511993 12.31910 
1 1 1    1    3   46 o  353.168   7.3618  846.049   35.233  846.049   35.233   0.0000   0.0000  353.168   7.3618  ?   ?       ?      ? 
1 1 1    1    3   47 o  259.088   4.6235  455.113   16.229  469.118   23.170  441.626   22.739  263.000   6.5012  255.175   6.5757 7.825394 9.246917 
1 1 1    1    3   48 o  254.228   4.6114  438.391   15.886  444.976   22.512  431.860   22.421  256.131   6.4859  252.325   6.5570 3.806076 9.222891 
1 1 1    1    3   49 o  461.012   6.1000  1441.52   38.089  1500.91   54.862  1386.25   52.922  470.171   8.6105  451.852   8.6429 18.31946 12.20003 
1 1 1    1    3   50 o  351.872   6.4242  831.522   28.679  814.541   34.723  867.970   50.870  346.432   7.3964  357.312   10.506 -10.87936 12.84839 
1 1 1    1    3   51 o  228.833   6.3978  356.087   19.819  372.548   27.926  339.379   28.133  234.184   8.7997  223.483   9.2895 10.70093 12.79569 
1 1 1    1    3   52 o  403.222   11.194  1106.63   61.165  1106.63   61.165   0.0000   0.0000  403.222   11.194  ?   ?       ?      ? 
1 1 1    1    3   53 o  645.616   9.6649  2874.51   80.131  2941.56   99.311  2749.42  135.649  657.298   11.149  633.933   15.790 23.36499 19.32986 
1 1 1    1    3   54 o  433.713   8.3185  1278.24   48.891  1278.24   48.891   0.0000   0.0000  433.713   8.3185  ?   ?       ?      ? 
1 1 1    1    3   55 o  134.272   4.5771  122.389   8.3250  127.091   11.830  117.774   11.718  136.831   6.3797  131.713   6.5650 5.117935 9.154199 
1 1 1    1    3   56 o  163.671   4.5083  181.808   9.9796  197.618   14.290  166.757   13.943  170.624   6.1805  156.718   6.5651 13.90620 9.016640 
1 1 1    1    3   57 o  272.755   9.6262  506.467   35.580  506.467   35.580   0.0000   0.0000  272.755   9.6262  ?   ?       ?      ? 
1 1 1    1    3   58 o  198.807   5.6395  273.642   14.269  254.017   24.403  283.837   17.590  193.166   9.3224  204.448   6.3488 -11.28203 11.27895 
1 1 1    1    3   59 o  280.704   4.8456  535.216   18.429  550.128   26.260  520.746   25.869  284.560   6.8099  276.847   6.8953 7.712830 9.691172 
1 1 1    1    3   60 o  195.144   4.5582  258.656   12.053  261.855   17.146  255.530   16.948  196.337   6.4443  193.951   6.4482 2.385986 9.116383 
1 1 1    1    3   61 o  135.383   5.6996  123.732   9.8981  127.741   17.131  121.724   12.127  136.928   9.2323  133.839   6.6865 3.088669 11.39927 
1 1 1    1    3   62 o  140.923   4.7373  135.066   9.0354  126.960   12.755  143.229   12.801  136.664   6.8874  145.181   6.5065 -8.517395 9.474700 
1 1 1    1    3   63 o   95.887   5.4329   62.511   7.0558   65.359   10.130   59.827   9.8329   98.009   7.6274   93.764   7.7386 4.245277 10.86572 
1 1 1    1    3   64 o  174.096   4.6293  205.988   10.914  216.546   15.569  195.786   15.305  178.491   6.4367  169.702   6.6551 8.789719 9.258621 
1 1 1    1    3   65 f  229.569   4.7360  358.368   14.733  361.101   20.844  355.639   20.828  230.446   6.6746  228.691   6.7207 1.754990 9.471987 
1 1 1    1    3   66 o  256.950   6.0819  453.136   19.783  458.764   24.103  441.520   34.628  259.699   6.8488  254.201   10.052 5.498276 12.16378 
1 1 1    1    3   67 o  293.522   6.1035  578.629   22.801  562.250   27.644  613.482   40.325  287.431   7.0971  299.612   9.9319 -12.18097 12.20701 
1 1 1    1    3   68 o  171.108   5.7025  200.187   12.613  201.655   15.677  197.493   21.237  172.156   6.7198  170.059   9.2151 2.096863 11.40505 
1 1 1    1    3   69 o  174.246   4.7252  206.461   11.153  212.538   16.064  200.807   15.495  176.716   6.7081  171.776   6.6567 4.940323 9.450354 
1 1 1    1    3   70 o  121.351   5.1162  100.142   8.4052  105.675   12.199   95.141   11.598  124.537   7.2282  118.166   7.2427 6.371284 10.23243 
1 1 1    1    3   71 o  110.931   5.2993   83.955   7.9576   83.271   11.499   84.583   11.024  110.479   7.6804  111.382   7.3035 -0.9038544 10.59856 
1 1 1    1    3   72 o  180.567   5.8428  219.565   13.359  232.119   23.839  213.818   16.129  184.007   9.5603  177.127   6.7197 6.879669 11.68561 
1 1 1    1    3   73 o  162.301   5.9096  177.707   12.200  187.728   21.575  172.996   14.792  165.353   9.6286  159.250   6.8544 6.102982 11.81917 
1 1 1    1    3   74 o  190.767   4.7590  248.402   12.299  247.249   17.587  249.506   17.206  190.315   6.8194  191.219   6.6399 -0.9036407 9.517979 
1 1 1    1    3   75 o  110.740   6.6467   83.896   9.2202   85.782   16.638   83.060   11.077  111.306   11.031  110.174   7.4189 1.132019 13.29333 
1 1 1    1    3   76 o   78.620   7.7646   41.071   7.7113   48.010   14.099   38.109   9.2110   82.869   12.555   74.372   9.1394 8.496956 15.52921 
1 1 1    1    3   77 o  117.675   5.2428   95.121   8.3488   91.153   11.945   98.910   11.673  115.227   7.6500  120.124   7.1710 -4.897720 10.48551 
1 1 1    1    3   78 o  146.274   4.9143  146.853   9.7342  142.171   13.865  151.404   13.670  143.932   7.1083  148.615   6.7877 -4.683746 9.828601 
1 1 1    1    3   79 o  157.320   4.8828  169.869   10.406  176.563   14.917  163.524   14.523  160.350   6.8647  154.291   6.9458 6.058823 9.765646 
1 1 1    1    3   80 o   93.378   7.3129   61.992   8.6707   63.836   10.664   58.395   14.894   96.034   8.1944   90.723   12.115 5.311264 14.62588 
1 1 1    1    3   81 o  119.327   5.2361   98.353   8.4527  106.136   12.090   90.910   11.822  124.009   7.1944  114.645   7.6096 9.363297 10.47216 
1 1 1    1    3   82 o   90.217   7.0830   56.854   8.3068   55.554   10.336   59.225   13.961   89.249   8.5457   91.184   11.298 -1.935120 14.16608 
1 1 1    1    3   83 o   72.349   6.8239   36.772   6.6401   43.365   9.7249   31.014   9.0885   78.547   9.1364   66.151   10.138 12.39627 13.64778 
1 1 1    1    3   84 o   72.274   6.6828   36.720   6.5228   40.903   9.6681   33.225   8.8370   76.050   9.3812   68.499   9.5201 7.550995 13.36561 
1 1 1    1    3   85 o   94.756   5.7162   63.046   7.3327   59.744   10.350   66.373   10.390   92.181   8.2856   97.331   7.8772 -5.149872 11.43248 
1 1 1    1    3   86 o   59.849   9.1710   31.030   7.2873   14.930   12.320   39.694   9.0378   44.913   16.028   74.784   8.9181 -29.87084 18.34199 
1 1 1    1    3   87 o   65.626   7.3212   31.770   6.2157   24.311   8.6781   39.628   8.9071   56.614   11.698   74.638   8.8062 -18.02438 14.64237 
1 1 1    1    3   88 o   41.757   10.009   11.826   6.4339   18.371   11.395   8.7632   7.7955   47.918   15.436   35.596   12.745 12.32200 20.01752 
1 1 1    1    3   89 o   40.430   10.017   10.928   6.6561   17.572   11.118   7.2164   8.3099   46.805   15.261   34.055   12.978 12.75034 20.03369 
1 1 1    1    3   90 o   78.848   9.5465   48.561   9.9396   45.571   14.288   51.365   13.837   75.355   14.518   82.341   12.400 -6.986504 19.09305 
1 1 1    1    3   91 f   81.698   9.3391   48.434   10.339   0.0000   0.0000   48.434   10.339  ?   ?    81.698   9.3391      ?      ? 
1 1 1    1    3   92 o   37.725   10.847   8.4466   8.7017   9.2119   12.106   7.6287   12.516   38.218   15.334   37.233   15.347 0.9852448 21.69489 
1 1 1    1    3   93 o   45.268   11.587   17.196   9.1414   16.712   12.816   17.698   13.043   44.794   16.300   45.741   16.473 -0.9472427 23.17465 
1 1 1    1    3   94 o   49.275   16.641   21.860   13.193   21.860   13.193   0.0000   0.0000   49.275   16.641  ?   ?       ?      ? 
1 1 1    1    3   95 o   26.072   12.370  -8.8943   11.770  -8.8943   11.770   0.0000   0.0000   26.072   12.370  ?   ?       ?      ? 
1 1 1    1    3   96 o   47.890   16.851   22.052   13.571   22.052   13.571   0.0000   0.0000   47.890   16.851  ?   ?       ?      ? 
1 1 1    1    3   97 o   46.736   16.786   21.761   13.534   21.761   13.534   0.0000   0.0000   46.736   16.786  ?   ?       ?      ? 
1 1 1    1    4    0 o  449.029   7.0747  1363.24   40.570  1378.34   70.516  1355.76   49.602  450.836   11.542  447.222   8.1845 3.613525 14.14939 
1 1 1    1    4    1 o  513.448   7.8035  1782.38   51.133  1803.30   89.013  1772.07   62.468  515.623   12.739  511.272   9.0162 4.351349 15.60692 
1 1 1    1    4    2 o  863.495   9.8516  5058.40  115.278  5048.52  162.778  5068.33  163.280  862.650   13.924  864.340   13.940 -1.689880 19.70320 
1 1 1    1    4    3 o  1152.78   12.868  9017.46  200.936  8799.55  279.431  9250.78  289.150  1138.38   18.114  1167.18   18.281 -28.79932 25.73519 
1 1 1    1    4    4 o  650.769   7.7088  2869.81   67.958  2795.77   94.587  2948.82   97.704  642.100   10.870  659.438   10.933 -17.33795 15.41764 
1 1 1    1    4    5 o  680.115   8.0034  3136.05   73.753  3086.14  103.252  3188.05  105.385  674.592   11.295  685.637   11.342 -11.04547 16.00684 
1 1 1    1    4    6 o  873.587   11.496  5082.47  116.116  4995.24  132.590  5369.49  240.524  858.226   11.401  888.948   19.966 -30.72192 22.99191 
1 1 1    1    4    7 o  245.694   4.8303  409.665   13.901  410.169   16.041  408.145   27.855  246.019   4.8115  245.368   8.3772 0.6502991 9.660621 
1 1 1    1    4    8 o  470.674   6.0044  1501.83   38.297  1493.11   53.996  1510.66   54.327  469.299   8.4904  472.049   8.4927 -2.749573 12.00889 
1 1 1    1    4    9 o  424.662   5.5985  1222.52   32.218  1228.40   45.642  1216.67   45.484  425.680   7.9123  423.643   7.9227 2.036133 11.19705 
1 1 1    1    4   10 o  408.744   6.6972  1140.27   35.054  1155.87   43.184  1110.14   60.020  412.921   7.7174  404.567   10.948 8.354004 13.39442 
1 1 1    1    4   11 o  652.953   15.501  2895.19  137.156   0.0000   0.0000  2895.19  137.156  ?   ?   652.953   15.501      ?      ? 
1 1 1    1    4   13 o  183.580   7.7023  228.501   19.161   0.0000   0.0000  228.501   19.161  ?   ?   183.580   7.7023      ?      ? 
1 1 1    1    4   14 o  497.792   12.514  1682.18   84.420   0.0000   0.0000  1682.18   84.420  ?   ?   497.792   12.514      ?      ? 
1 1 1    1    4   15 o  765.166   12.588  3975.26  130.529   0.0000   0.0000  3975.26  130.529  ?   ?   765.166   12.588      ?      ? 
1 1 1    1    4   16 o  722.827   8.4522  3547.15   82.791  3531.11  116.675  3563.42  117.496  721.182   11.939  724.471   11.968 -3.288574 16.90446 
1 1 1    1    4   18 o  557.679   6.8303  2109.61   51.609  2070.92   72.166  2150.12   73.835  552.448   9.6396  562.909   9.6793 -10.46198 13.66056 
1 1 1    1    4   19 o  429.594   8.0295  1251.74   46.744   0.0000   0.0000  1251.74   46.744  ?   ?   429.594   8.0295      ?      ? 
1 1 1    1    4   20 o  288.563   6.3646  564.877   24.887  558.456   35.028  571.421   35.366  286.907   9.0093  290.219   8.9925 -3.311951 12.72922 
1 1 1    1    4   21 o  322.945   9.5179  707.633   41.654  707.633   41.654   0.0000   0.0000  322.945   9.5179  ?   ?       ?      ? 
1 1 1    1    4   22 o  545.243   13.430  2019.58   99.230  2019.58   99.230   0.0000   0.0000  545.243   13.430  ?   ?       ?      ? 
1 1 1    1    4   23 o  601.029   7.2822  2451.06   59.312  2459.67   83.967  2442.48   83.792  602.084   10.291  599.975   10.306 2.108826 14.56442 
1 1 1    1    4   24 o  696.868   16.433  3301.27  155.180  3301.27  155.180   0.0000   0.0000  696.868   16.433  ?   ?       ?      ? 
1 1 1    1    4   25 o  691.273   9.9918  3207.78   87.589  3349.83  155.527  3141.80  105.997  702.095   16.347  680.450   11.495 21.64447 19.98369 
1 1 1    1    4   26 o  761.432   8.8726  3933.90   91.542  3883.41  128.363  3986.16  130.586  756.463   12.522  766.401   12.574 -9.937805 17.74521 
1 1 1    1    4   29 o  778.450   9.0405  4105.70   95.293  3958.36  131.635  4267.93  138.130  763.803   12.718  793.096   12.852 -29.29248 18.08092 
1 1 1    1    4   30 o  621.147   7.4727  2616.53   62.899  2599.00   88.536  2634.40   89.375  619.047   10.554  623.247   10.582 -4.199768 14.94545 
1 1 1    1    4   31 f  362.515   6.3247  872.161   28.928  841.175   34.731  942.344   52.270  352.266   7.2755  372.764   10.348 -20.49780 12.64934 
1 1 1    1    4   32 o  600.596   8.9263  2417.43   67.830  2365.62   81.896  2530.60  121.045  590.613   10.232  610.579   14.629 -19.96625 17.85266 
1 1 1    1    4   33 o  599.204   7.2753  2435.02   59.075  2437.25   83.504  2432.79   83.586  599.479   10.279  598.930   10.299 0.5490723 14.55051 
1 1 1    1    4   34 o  667.717   9.7313  3044.26   83.384  3083.71  102.939  2968.97  142.199  674.235   11.266  661.199   15.870 13.03546 19.46268 
1 1 1    1    4   35 o  512.318   8.0062  1823.06   53.144  1942.92   67.350  1625.28   86.513  535.270   9.2850  489.366   13.046 45.90320 16.01243 
1 1 1    1    4   36 o  332.823   4.9872  750.354   22.482  784.228   32.258  718.360   31.350  340.123   6.9988  325.524   7.1069 14.59937 9.974484 
1 1 1    1    4   37 o  251.550   4.4823  428.744   15.276  418.434   21.344  439.570   21.872  248.452   6.3395  254.649   6.3383 -6.197754 8.964537 
1 1 1    1    4   38 o  471.197   6.1291  1505.16   39.129  1542.98   55.928  1468.90   54.764  476.993   8.6524  465.401   8.6832 11.59235 12.25816 
1 1 1    1    4   39 o  186.883   4.3118  236.536   10.904  255.169   15.666  219.030   15.185  194.017   5.9585  179.750   6.2341 14.26724 8.623628 
1 1 1    1    4   40 o  424.299   5.7371  1220.52   32.982  1247.63   47.122  1194.49   46.180  428.916   8.1071  419.682   8.1199 9.233704 11.47429 
1 1 1    1    4   41 o  561.498   8.5403  2126.65   61.051  2181.51  107.126  2100.26   74.296  566.631   13.951  556.365   9.8543 10.26624 17.08052 
1 1 1    1    4   42 o  484.093   8.8853  1589.80   58.288  1589.80   58.288   0.0000   0.0000  484.093   8.8853  ?   ?       ?      ? 
1 1 1    1    4   43 f  470.767   12.268  1505.47   78.262  1505.47   78.262   0.0000   0.0000  470.767   12.268  ?   ?       ?      ? 
1 1 1    1    4   44 o  775.849   12.807  4091.08  134.653  4091.08  134.653   0.0000   0.0000  775.849   12.807  ?   ?       ?      ? 
1 1 1    1    4   45 o  478.765   6.2333  1554.16   40.422  1611.78   58.185  1500.40   56.198  487.335   8.8104  470.195   8.8199 17.13995 12.46653 
1 1 1    1    4   46 o  910.766   10.451  5648.47  128.987  5644.40  182.258  5652.55  182.572  910.440   14.773  911.092   14.787 -0.6519775 20.90196 
1 1 1    1    4   47 o  370.656   5.3591  932.032   26.915  951.241   38.365  913.416   37.769  374.417   7.5614  366.895   7.5964 7.522034 10.71824 
1 1 1    1    4   48 o  378.679   7.6467  973.194   39.240  973.194   39.240   0.0000   0.0000  378.679   7.6467  ?   ?       ?      ? 
1 1 1    1    4   49 o  313.034   6.1243  665.125   24.318  664.494   29.576  666.443   42.728  312.930   6.9744  313.137   10.069 -0.2073059 12.24866 
1 1 1    1    4   50 o  202.081   4.4168  276.869   12.089  264.746   16.876  289.646   17.326  197.538   6.3044  206.624   6.1876 -9.085754 8.833589 
1 1 1    1    4   51 o  201.412   4.4385  275.234   12.114  271.173   17.053  279.372   17.211  199.911   6.2948  202.912   6.2591 -3.001373 8.876966 
1 1 1    1    4   52 o  227.279   5.5065  354.949   16.084  364.352   19.962  337.548   27.157  231.709   6.3575  222.849   8.9928 8.860458 11.01308 
1 1 1    1    4   53 o  304.928   5.9841  630.908   23.388  628.872   28.720  634.916   40.298  304.345   6.9637  305.510   9.7336 -1.165436 11.96813 
1 1 1    1    4   54 o  221.400   4.5379  332.264   13.596  308.630   18.875  357.753   19.602  213.221   6.5325  229.579   6.3007 -16.35770 9.075889 
1 1 1    1    4   55 o  175.415   4.5374  208.695   10.780  215.715   15.546  202.193   14.962  178.253   6.4358  172.577   6.3977 5.675583 9.074717 
1 1 1    1    4   56 o  231.584   6.5450  365.170   20.528  373.373   28.766  356.658   29.303  234.256   9.0617  228.911   9.4464 5.344879 13.09002 
1 1 1    1    4   57 o  307.604   6.2153  642.963   24.329  641.384   29.670  646.204   42.506  307.247   7.1260  307.960   10.185 -0.7132568 12.43054 
1 1 1    1    4   58 o  392.742   6.9133  1046.26   34.604  1064.41   60.449  1037.41   42.204  394.906   11.296  390.578   7.9737 4.327698 13.82651 
1 1 1    1    4   59 o  403.989   6.9632  1095.70   35.769  1160.37   63.363  1065.45   43.334  412.221   11.343  395.758   8.0800 16.46350 13.92644 
1 1 1    1    4   60 o  215.683   4.6379  315.982   13.549  302.028   18.995  330.433   19.330  210.829   6.6485  220.537   6.4681 -9.707962 9.275712 
1 1 1    1    4   61 o  196.557   4.6139  262.499   12.289  266.594   17.483  258.501   17.276  198.073   6.5136  195.041   6.5364 3.031784 9.227749 
1 1 1    1    4   62 o  402.404   5.7259  1102.30   31.224  1098.21   44.040  1106.43   44.275  401.656   8.0912  403.152   8.1041 -1.496552 11.45179 
1 1 1    1    4   63 o  292.262   4.9894  580.857   19.760  590.231   28.100  571.687   27.791  294.597   7.0387  289.927   7.0735 4.670105 9.978856 
1 1 1    1    4   64 o  128.963   6.2380  112.134   10.136  110.051   12.205  116.765   18.198  127.194   7.0807  130.733   10.272 -3.539047 12.47609 
1 1 1    1    4   65 f  175.856   6.0317  214.947   13.319  222.405   16.213  199.471   23.357  180.848   6.6157  170.863   10.087 9.984573 12.06336 
1 1 1    1    4   66 o  314.720   5.1493  673.503   21.950  648.120   30.496  700.788   31.618  308.572   7.2929  320.869   7.2715 -12.29709 10.29859 
1 1 1    1    4   67 o  302.418   7.1637  622.579   29.358  622.579   29.358   0.0000   0.0000  302.418   7.1637  ?   ?       ?      ? 
1 1 1    1    4   68 o  160.415   5.7103  173.990   11.893  170.435   14.760  180.572   20.080  158.236   6.8831  162.593   9.1134 -4.357315 11.42067 
1 1 1    1    4   69 o  207.368   4.7740  292.468   13.395  270.450   18.648  315.937   19.252  199.290   6.9050  215.446   6.5943 -16.15546 9.547969 
1 1 1    1    4   70 o  211.489   4.7929  304.677   13.729  291.700   19.335  317.871   19.496  206.928   6.8952  216.051   6.6591 -9.122528 9.585804 
1 1 1    1    4   71 o  191.966   4.8021  251.079   12.490  257.333   17.792  245.002   17.539  194.328   6.7561  189.603   6.8261 4.724350 9.604223 
1 1 1    1    4   72 o  275.535   5.0109  517.693   18.704  500.211   26.118  536.096   26.797  270.754   7.1185  280.316   7.0544 -9.561340 10.02188 
1 1 1    1    4   73 o  222.670   5.9512  335.539   16.792  351.262   29.849  328.260   20.310  226.028   9.7450  219.313   6.8339 6.714798 11.90244 
1 1 1    1    4   74 o   71.861   9.1896   38.958   7.9281   30.839   13.996   42.794   9.6203   64.802   16.027   78.921   8.9953 -14.11862 18.37918 
1 1 1    1    4   75 o  208.196   4.8447  296.250   13.663  308.202   19.523  284.775   19.129  212.329   6.7849  204.064   6.9174 8.264801 9.689486 
1 1 1    1    4   76 o  175.403   4.8565  210.584   11.541  203.988   16.234  217.324   16.409  172.608   6.9404  178.199   6.7951 -5.591263 9.713017 
1 1 1    1    4   78 o   81.505   7.8301   45.865   8.1210   44.630   9.8602   48.470   14.319   80.260   9.0658   82.749   12.769 -2.489380 15.66026 
1 1 1    1    4   79 o  194.465   5.9830  259.514   14.772  255.154   17.930  268.727   26.063  192.661   6.8675  196.270   9.7992 -3.608215 11.96607 
1 1 1    1    4   80 o   27.028   8.1713   0.0577   5.3780  -2.3268   7.7478   2.2749   7.4709   25.272   11.244   28.784   11.860 -3.512827 16.34260 
1 1 1    1    4   81 o   54.134   8.1200   21.601   5.9866   31.523   8.5787   12.182   8.3583   67.066   9.4392   41.202   13.215 25.86466 16.24004 
1 1 1    1    4   82 o  127.606   6.1710  115.779   10.094  120.150   12.560  107.803   16.965  131.772   7.0336  123.440   10.142 8.331627 12.34193 
1 1 1    1    4   83 o   80.401   6.4385   45.367   6.9964   41.066   9.6077   50.222   10.208   76.295   9.2927   84.507   8.9142 -8.211502 12.87697 
1 1 1    1    4   84 f   50.883   8.6254   19.615   5.8854   17.577   8.3229   21.653   8.3235   48.071   12.617   53.694   11.764 -5.622688 17.25079 
1 1 1    1    4   85 o   67.887   6.7747   32.928   6.2211   34.793   8.7472   31.018   8.8497   69.959   9.2265   65.814   9.9226 4.145470 13.54943 
1 1 1    1    4   86 o   47.989   9.8863   17.445   7.8609   4.3306   11.479   29.025   10.787   34.813   14.552   61.165   13.386 -26.35143 19.77251 
1 1 1    1    4   87 o   37.883   12.952   10.448   7.9921   0.0000   0.0000   10.448   7.9921  ?   ?    37.883   12.952      ?      ? 
1 1 1    1    4   88 o   30.589   8.9414   2.3998   6.5258  -7.9514   11.102   7.8635   8.0662   26.538   12.410   34.640   12.875 -8.101866 17.88289 
1 1 1    1    4   89 o   52.449   10.033   21.044   7.0891   27.458   11.924   17.538   8.8164   57.856   15.062   47.042   13.260 10.81435 20.06686 
1 1 1    1    4   90 o   39.652   10.627   8.8099   8.2575   1.1816   10.919   19.003   12.621   31.353   13.668   47.951   16.277 -16.59722 21.25436 
1 1 1    1    4   91 o   43.793   10.257   10.666   8.4971  -3.8097   11.292   29.566   12.902   28.598   13.065   58.988   15.816 -30.39037 20.51444 
1 1 1    1    4   92 o   34.361   10.257   5.0111   8.1760   5.3068   11.142   4.6662   12.035   34.207   14.321   34.516   14.688 -0.3089905 20.51384 
1 1 1    1    4   93 o   66.031   11.229   37.724   9.9110   34.623   13.483   41.369   14.618   63.048   15.810   69.014   15.951 -5.966087 22.45812 
1 1 1    1    4   94 o   47.927   16.520   20.798   13.011   20.798   13.011   0.0000   0.0000   47.927   16.520  ?   ?       ?      ? 
1 1 1    1    4   95 f   65.536   16.556   39.751   14.708   39.751   14.708   0.0000   0.0000   65.536   16.556  ?   ?       ?      ? 
1 1 1    1    4   96 o   24.539   11.845 -12.0802   11.849 -12.0802   11.849   0.0000   0.0000   24.539   11.845  ?   ?       ?      ? 
1 1 1    1    4   97 o   26.797   12.699  -6.8636   12.333  -6.8636   12.333   0.0000   0.0000   26.797   12.699  ?   ?       ?      ? 
1 1 1    1    5    0 o  1067.81   11.991  7745.00  173.493  7838.62  247.273  7654.23  243.484  1074.16   16.987  1061.46   16.927 12.69873 23.98109 
1 1 1    1    5    1 o  665.421   7.8742  3003.53   71.004  2989.79  100.088  3017.45  100.743  663.890   11.125  666.952   11.147 -3.061768 15.74843 
1 1 1    1    5    2 o  683.102   8.0481  3164.89   74.492  3120.29  104.380  3211.18  106.344  678.200   11.357  688.003   11.406 -9.802612 16.09625 
1 1 1    1    5    3 o  306.909   4.6448  638.486   19.318  638.351   27.261  638.621   27.378  306.876   6.5554  306.941   6.5821 -0.6436157E-01 9.289653 
1 1 1    1    5    4 o  298.919   4.6161  605.479   18.694  624.763   26.684  586.891   26.198  303.592   6.4861  294.245   6.5701 9.347198 9.232289 
1 1 1    1    5    5 o  210.461   5.6814  300.324   16.203  302.284   22.914  298.364   22.916  211.149   8.0081  209.774   8.0612 1.374573 11.36279 
1 1 1    1    5    6 o  609.637   10.374  2524.02   85.701  2515.66  120.871  2532.47  121.531  608.623   14.655  610.651   14.686 -2.027527 20.74751 
1 1 1    1    5    7 o  560.786   9.7112  2133.07   73.800  2133.07   73.800   0.0000   0.0000  560.786   9.7112  ?   ?       ?      ? 
1 1 1    1    5    8 o  410.975   6.4099  1165.83   31.151  1187.98   36.290  1103.83   60.721  418.623   6.3971  403.327   11.110 15.29575 12.81974 
1 1 1    1    5    9 o  513.811   7.3975  1752.87   44.026  1718.61   50.285  1865.37   91.121  503.461   7.3703  524.160   12.828 -20.69885 14.79493 
1 1 1    1    5   10 o  406.570   6.2777  1104.17   29.739  1088.30   34.102  1154.55   60.767  400.669   6.2807  412.471   10.872 -11.80212 12.55538 
1 1 1    1    5   11 o  372.184   5.1706  939.092   26.076  956.859   37.147  921.833   36.612  375.655   7.2970  368.714   7.3275 6.940521 10.34112 
1 1 1    1    5   12 o  324.893   6.7736  715.682   29.822  715.682   29.822   0.0000   0.0000  324.893   6.7736  ?   ?       ?      ? 
1 1 1    1    5   13 o  221.706   5.8324  333.219   17.523   0.0000   0.0000  333.219   17.523  ?   ?   221.706   5.8324      ?      ? 
1 1 1    1    5   14 o  274.191   4.4405  509.557   16.496  525.308   23.537  494.353   23.125  278.355   6.2398  270.027   6.3196 8.327942 8.881005 
1 1 1    1    5   15 f  563.664   8.4469  2150.49   60.696  2136.75   74.068  2178.57  105.905  561.145   9.7403  566.182   13.803 -5.037109 16.89376 
1 1 1    1    5   16 o  432.038   6.9890  1274.53   38.809  1241.68   65.952  1291.92   47.999  427.645   11.381  436.431   8.1159 -8.786163 13.97798 
1 1 1    1    5   17 o  339.964   4.9361  783.563   22.738  772.358   31.914  795.116   32.406  337.496   6.9779  342.432   6.9834 -4.935913 9.872138 
1 1 1    1    5   18 o  699.654   8.2394  3322.20   78.102  3256.74  109.060  3391.12  111.901  692.586   11.620  706.723   11.684 -14.13708 16.47875 
1 1 1    1    5   19 o  476.610   7.4516  1535.83   45.369  1558.82   78.879  1524.47   55.461  479.141   12.148  474.079   8.6328 5.061584 14.90319 
1 1 1    1    5   20 o  396.006   10.743  1064.20   57.650  1064.20   57.650   0.0000   0.0000  396.006   10.743  ?   ?       ?      ? 
1 1 1    1    5   22 o  448.330   7.2005  1372.20   41.373  1336.48   70.724  1390.79   51.012  443.778   11.760  452.882   8.3119 -9.103485 14.40108 
1 1 1    1    5   23 f  662.602   7.8775  2976.35   70.704  2897.52   98.301  3060.85  101.771  653.522   11.100  671.682   11.181 -18.16046 15.75492 
1 1 1    1    5   24 o  415.862   7.9273  1172.50   44.674   0.0000   0.0000  1172.50   44.674  ?   ?   415.862   7.9273      ?      ? 
1 1 1    1    5   25 o  702.204   8.2732  3341.14   78.676  3229.94  108.935  3462.39  113.750  690.008   11.650  714.399   11.750 -24.39081 16.54634 
1 1 1    1    5   26 o  1280.12   14.260 11141.66  247.368 11039.37  347.561 11246.67  352.147  1274.18   20.129  1286.07   20.206 -11.89038 28.52089 
1 1 1    1    5   27 o  961.146   15.443  6272.06  201.137   0.0000   0.0000  6272.06  201.137  ?   ?   961.146   15.443      ?      ? 
1 1 1    1    5   28 o  505.681   7.8218  1693.08   49.731  1627.82   59.496  1844.42   90.601  489.983   8.9603  521.380   12.823 -31.39664 15.64353 
1 1 1    1    5   29 o  556.325   8.4303  2088.16   59.600  2067.12   72.440  2132.25  104.852  552.123   9.6820  560.526   13.804 -8.403625 16.86069 
1 1 1    1    5   30 o  678.367   8.0731  3120.81   74.205  3078.53  103.940  3164.75  105.972  673.685   11.385  683.049   11.449 -9.364502 16.14611 
1 1 1    1    5   31 o  871.565   9.9905  5153.12  117.962  5039.80  164.402  5273.37  169.354  861.700   14.079  881.431   14.178 -19.73090 19.98098 
1 1 1    1    5   33 o  237.565   4.3894  382.352   14.118  405.670   20.201  360.090   19.739  244.643   6.0935  230.487   6.3197 14.15627 8.778874 
1 1 1    1    5   34 o  586.808   8.7644  2313.14   65.351  2270.11   79.267  2404.44  115.470  578.527   10.111  595.089   14.319 -16.56195 17.52871 
1 1 1    1    5   35 o  516.208   7.9633  1803.53   52.509  1794.69   64.223  1821.34   91.195  514.422   9.2128  517.994   12.992 -3.571655 15.92660 
1 1 1    1    5   36 o  604.584   7.3692  2477.55   60.347  2406.07   83.795  2554.57   86.980  595.536   10.383  613.633   10.460 -18.09698 14.73834 
1 1 1    1    5   37 o  714.701   8.4358  3466.98   81.701  3493.50  115.938  3440.81  115.150  717.417   11.925  711.985   11.935 5.432007 16.87158 
1 1 1    1    5   38 o  795.705   9.2414  4299.50   99.645  4267.38  140.171  4332.33  141.680  792.703   13.049  798.707   13.090 -6.003967 18.48276 
1 1 1    1    5   39 o  660.645   11.211  2962.45  100.368  2962.45  100.368   0.0000   0.0000  660.645   11.211  ?   ?       ?      ? 
1 1 1    1    5   40 o  497.209   7.8814  1696.52   50.336  1619.52   85.178  1737.84   62.397  488.291   12.873  506.127   9.0975 -17.83612 15.76286 
1 1 1    1    5   41 o  378.978   7.6893  974.087   39.490   0.0000   0.0000  974.087   39.490  ?   ?   378.978   7.6893      ?      ? 
1 1 1    1    5   42 o  375.439   5.3744  955.536   27.336  931.529   38.146  980.880   39.193  370.594   7.5957  380.284   7.6053 -9.689636 10.74872 
1 1 1    1    5   43 o  516.351   6.5815  1808.32   46.036  1865.85   66.114  1754.17   64.141  524.318   9.3049  508.383   9.3103 15.93427 13.16295 
1 1 1    1    5   44 o  249.332   4.5752  421.534   15.456  432.142   21.996  411.188   21.724  252.431   6.4301  246.232   6.5104 6.198853 9.150469 
1 1 1    1    5   45 o  325.744   5.0244  719.756   22.178  711.910   31.186  727.784   31.546  323.948   7.1040  327.540   7.1073 -3.591492 10.04889 
1 1 1    1    5   46 o  428.568   7.1679  1238.82   38.958  1222.57   47.231  1273.40   68.906  424.402   8.2123  432.734   11.750 -8.331818 14.33574 
1 1 1    1    5   47 o  263.799   5.8008  469.397   19.372  464.026   23.456  480.922   34.357  261.530   6.6183  266.069   9.5287 -4.539429 11.60162 
1 1 1    1    5   48 o  465.430   6.1341  1471.10   38.687  1457.80   54.362  1484.76   55.068  463.300   8.6587  467.560   8.6911 -4.259247 12.26824 
1 1 1    1    5   49 o  274.652   4.7281  511.852   17.595  524.676   25.001  499.267   24.767  278.063   6.6348  271.240   6.7380 6.822845 9.456281 
1 1 1    1    5   50 o  255.347   4.6269  442.465   16.010  439.591   22.540  445.391   22.744  254.511   6.5354  256.184   6.5514 -1.672592 9.253747 
1 1 1    1    5   51 f  262.521   6.5777  467.761   23.400  467.761   23.400   0.0000   0.0000  262.521   6.5777  ?   ?       ?      ? 
1 1 1    1    5   52 o  280.931   5.8009  537.029   20.916  538.640   25.760  533.913   35.831  281.679   6.7485  280.183   9.4370 1.496307 11.60172 
1 1 1    1    5   53 o  428.807   7.3042  1293.66   40.639  1431.37   52.319  1084.17   64.529  458.886   8.4134  398.727   11.942 60.15903 14.60846 
1 1 1    1    5   54 o  151.645   4.5591  155.950   9.3425  140.321   12.975  172.775   13.463  143.754   6.6606  159.536   6.2272 -15.78169 9.118235 
1 1 1    1    5   55 o  255.580   4.6886  443.525   16.236  455.181   23.106  432.155   22.819  258.901   6.5858  252.260   6.6753 6.641037 9.377223 
1 1 1    1    5   56 o  239.067   4.6503  387.888   15.057  406.589   21.585  370.163   21.014  244.681   6.5097  233.452   6.6425 11.22849 9.300505 
1 1 1    1    5   57 o  117.035   6.0440   95.119   9.0120   87.367   15.332   99.212   11.139  113.226   9.9925  120.844   6.8023 -7.617714 12.08805 
1 1 1    1    5   58 o  295.609   10.145  595.818   40.640  595.818   40.640   0.0000   0.0000  295.609   10.145  ?   ?       ?      ? 
1 1 1    1    5   59 o   95.786   5.6382   63.754   7.1163   47.256   10.155   79.675   9.9755   83.295   8.9964  108.277   6.7985 -24.98259 11.27631 
1 1 1    1    5   60 o  205.982   5.6524  292.329   14.968  277.060   25.226  300.625   18.595  201.630   9.2323  210.333   6.5239 -8.703964 11.30475 
1 1 1    1    5   61 o  179.863   5.8157  219.719   13.322  218.680   16.252  221.848   23.262  179.363   6.6862  180.363   9.5176 -0.9995117 11.63138 
1 1 1    1    5   62 o  333.659   6.5582  770.562   27.907  794.481   34.416  724.639   47.687  341.716   7.4320  325.601   10.808 16.11490 13.11643 
1 1 1    1    5   63 o  329.534   6.5029  738.236   27.183  733.727   33.027  747.705   47.863  328.360   7.4222  330.709   10.680 -2.348846 13.00580 
1 1 1    1    5   64 o  258.033   6.8940  452.901   24.106  452.901   24.106   0.0000   0.0000  258.033   6.8940  ?   ?       ?      ? 
1 1 1    1    5   65 o  310.550   5.1326  656.267   21.596  672.937   30.787  640.118   30.302  314.438   7.2251  306.662   7.2918 7.776031 10.26510 
1 1 1    1    5   66 o  276.185   4.9678  519.047   18.591  509.153   26.086  529.259   26.502  273.509   7.0381  278.861   7.0131 -5.352448 9.935671 
1 1 1    1    5   67 o  289.778   7.1227  571.760   27.970  571.760   27.970   0.0000   0.0000  289.778   7.1227  ?   ?       ?      ? 
1 1 1    1    5   68 f  134.347   5.9296  120.592   10.396  114.066   12.901  132.683   17.558  129.384   7.3579  139.310   9.3007 -9.926285 11.85926 
1 1 1    1    5   69 o  137.097   6.0611  131.162   10.689  137.969   13.384  119.171   17.763  142.309   6.9402  131.885   9.9389 10.42450 12.12222 
1 1 1    1    5   70 o  178.712   4.7929  217.632   11.607  218.081   16.463  217.189   16.368  178.893   6.7909  178.530   6.7655 0.3623505 9.585828 
1 1 1    1    5   71 o  100.123   5.7417   68.564   7.7564   77.158   11.122   60.426   10.823  106.277   7.7224   93.970   8.4990 12.30730 11.48344 
1 1 1    1    5   72 o  177.441   5.7685  211.406   13.189  228.686   22.840  202.762   16.154  182.525   9.2340  172.357   6.9163 10.16782 11.53693 
1 1 1    1    5   73 f   80.033   8.0199   42.935   8.1565   48.471   14.645   40.446   9.8207   83.389   12.959   76.677   9.4514 6.712624 16.03971 
1 1 1    1    5   74 o  133.982   6.3714  126.854   10.802  113.641   18.453  133.742   13.324  128.130   10.627  139.834   7.0311 -11.70430 12.74284 
1 1 1    1    5   75 o   80.268   6.4924   44.559   7.0408   41.116   10.036   47.896   9.8802   77.140   9.6006   83.396   8.7425 -6.256210 12.98473 
1 1 1    1    5   76 o   28.901   8.5535   1.1542   5.6744   3.2256   7.9735  -0.9713   8.0771   30.712   12.402   27.090   11.784 3.622229 17.10710 
1 1 1    1    5   77 o  105.182   6.7558   72.298   9.0659   64.378   10.870   90.398   16.433   96.583   8.3048  113.780   10.658 -17.19727 13.51154 
1 1 1    1    5   78 o   91.549   5.8764   57.973   7.2852   55.209   10.246   60.799   10.360   89.306   8.4666   93.791   8.1512 -4.484550 11.75271 
1 1 1    1    5   79 o  103.995   5.5278   74.903   7.7623   82.599   11.032   67.357   10.924  109.392   7.4420   98.598   8.1758 10.79432 11.05559 
1 1 1    1    5   80 o  146.923   5.0017  149.019   9.9580  148.629   14.003  149.419   14.164  146.741   7.0416  147.106   7.1053 -0.3650665 10.00349 
1 1 1    1    5   81 o   89.644   5.9293   56.045   7.2007   54.153   10.108   57.995   10.261   88.083   8.4681   91.206   8.3016 -3.122551 11.85862 
1 1 1    1    5   82 o   61.560   7.8094   27.651   6.3413   29.518   8.7529   25.588   9.1998   64.511   10.012   58.608   11.988 5.903122 15.61888 
1 1 1    1    5   83 o   56.202   9.0587   26.171   7.2255   36.057   9.2967   11.089   11.483   71.262   9.6269   41.141   15.348 30.12176 18.11748 
1 1 1    1    5   84 o   61.592   9.2847   31.829   7.4353   18.475   12.390   39.344   9.2949   48.751   16.122   74.433   9.2151 -25.68136 18.56950 
1 1 1    1    5   85 o   42.035   10.203   11.395   6.6532   19.030   12.005   8.0107   7.9929   49.045   15.849   35.024   12.853 14.02147 20.40553 
1 1 1    1    5   86 o   60.766   9.3237   30.773   7.2600   21.005   12.518   35.725   8.9120   50.905   16.156   70.627   9.3116 -19.72165 18.64749 
1 1 1    1    5   87 o   60.175   11.395   27.418   8.9522   0.0000   0.0000   27.418   8.9522  ?   ?    60.175   11.395      ?      ? 
1 1 1    1    5   88 f   43.767   10.146   12.623   6.8466   23.562   11.964   7.2958   8.3488   53.394   15.574   34.141   13.009 19.25350 20.29242 
1 1 1    1    5   89 o   37.944   10.588   8.4220   8.3115   13.352   11.383   2.7928   12.164   42.068   15.354   33.820   14.585 8.248505 21.17696 
1 1 1    1    5   90 o   39.929   10.350   6.7316   8.3636  -5.3627   10.963   23.569   12.936   27.382   12.642   52.476   16.393 -25.09413 20.70094 
1 1 1    1    5   91 o   37.711   10.549   7.9049   8.6034   15.591   11.675  -1.2300   12.727   43.867   15.608   31.554   14.196 12.31240 21.09855 
1 1 1    1    5   92 o   59.526   11.227   31.750   9.6889   40.877   13.220   21.158   14.242   70.246   14.372   48.805   17.252 21.44200 22.45397 
1 1 1    1    5   93 o   37.514   10.871   8.8864   8.7963   6.9118   11.902   11.263   13.057   35.502   14.827   39.526   15.902 -4.024429 21.74213 
1 1 1    1    5   94 o   53.561   11.927   27.191   9.7438   30.090   13.543   24.079   14.029   56.825   16.568   50.297   17.160 6.528164 23.85306 
1 1 1    1    5   95 o   35.977   15.295   7.8900   13.029   7.8900   13.029   0.0000   0.0000   35.977   15.295  ?   ?       ?      ? 
1 1 1    1    5   96 o   70.498   16.442   47.486   15.419   47.486   15.419   0.0000   0.0000   70.498   16.442  ?   ?       ?      ? 
1 1 1    1    5   97 o   66.211   16.977   44.515   15.304   44.515   15.304   0.0000   0.0000   66.211   16.977  ?   ?       ?      ? 
1 1 1    1    6    0 o  369.193   5.1682  924.265   25.857  924.245   36.468  924.285   36.667  369.190   7.2892  369.196   7.3288 -0.6317139E-02 10.33649 
1 1 1    1    6    1 o  319.143   4.7789  690.542   20.666  702.495   29.336  678.764   29.119  321.886   6.7253  316.401   6.7913 5.485596 9.557796 
1 1 1    1    6    2 o  431.978   5.7001  1265.57   33.367  1263.67   47.044  1267.49   47.335  431.652   8.0424  432.303   8.0799 -0.6514282 11.40020 
1 1 1    1    6    3 o  558.942   6.8669  2118.62   51.998  2071.19   72.471  2168.95   74.649  552.500   9.6794  565.383   9.7431 -12.88354 13.73384 
1 1 1    1    6    4 o  274.228   4.4667  509.704   16.596  501.415   23.234  518.339   23.716  271.952   6.3044  276.503   6.3292 -4.550720 8.933331 
1 1 1    1    6    5 o  140.034   3.8839  132.949   7.3690  134.236   10.356  131.629   10.487  140.721   5.4308  139.347   5.5538 1.374496 7.767795 
1 1 1    1    6    6 o  240.794   4.2615  392.842   13.901  381.024   19.393  405.333   19.937  237.071   6.0364  244.517   6.0170 -7.445923 8.523020 
1 1 1    1    6    7 o  227.400   4.1910  350.577   12.912  359.802   18.313  341.455   18.210  230.377   5.8658  224.424   5.9875 5.953094 8.382007 
1 1 1    1    6    8 o  467.779   6.9920  1493.24   38.502  1501.83   44.596  1468.09   76.301  470.616   6.9927  464.942   12.110 5.673920 13.98399 
1 1 1    1    6    9 o  405.165   6.3222  1100.36   29.865  1087.80   34.282  1139.91   60.828  400.553   6.3157  409.777   10.954 -9.223846 12.64432 
1 1 1    1    6   10 o   99.077   4.8217   69.184   5.5713   71.947   6.4830   61.381   10.895  103.028   4.6434   95.125   8.4519 7.903351 9.643420 
1 1 1    1    6   11 f  377.912   7.4209  969.332   38.003  982.049   53.890  956.752   53.599  380.380   10.455  375.444   10.535 4.936096 14.84185 
1 1 1    1    6   12 o  506.224   7.3906  1748.03   44.088  1757.10   51.086  1721.56   87.268  509.023   7.4060  503.426   12.792 5.596710 14.78117 
1 1 1    1    6   13 o  487.933   6.2108  1615.02   41.067  1619.42   58.094  1610.62   58.060  488.598   8.7739  487.267   8.7928 1.331146 12.42155 
1 1 1    1    6   14 o  638.683   7.6483  2768.57   66.196  2779.95   93.814  2757.29   93.418  639.990   10.817  637.377   10.816 2.612671 15.29665 
1 1 1    1    6   15 o  497.956   7.7012  1673.42   48.924  1710.71   85.432  1655.23   59.678  501.925   12.560  493.986   8.9149 7.939209 15.40249 
1 1 1    1    6   16 o  350.155   6.1177  817.889   27.306  871.509   48.222  792.580   33.130  358.410   9.9285  341.901   7.1505 16.50909 12.23539 
1 1 1    1    6   17 o  352.456   7.1655  842.242   34.225   0.0000   0.0000  842.242   34.225  ?   ?   352.456   7.1655      ?      ? 
1 1 1    1    6   18 o  561.089   13.835  2137.79  105.195  2137.79  105.195   0.0000   0.0000  561.089   13.835  ?   ?       ?      ? 
1 1 1    1    6   19 o  664.152   7.9066  2988.85   71.113  2883.07   98.426  3104.38  102.859  651.877   11.142  676.427   11.221 -24.55072 15.81326 
1 1 1    1    6   20 f  411.939   5.5568  1150.47   31.019  1160.26   43.958  1140.77   43.777  413.684   7.8413  410.193   7.8755 3.491333 11.11351 
1 1 1    1    6   21 o  443.440   5.8319  1333.10   35.043  1322.12   49.274  1344.33   49.849  441.594   8.2340  445.286   8.2610 -3.692596 11.66372 
1 1 1    1    6   22 o  629.670   7.5653  2687.54   64.533  2622.47   89.888  2756.76   92.705  621.811   10.667  637.530   10.730 -15.71863 15.13067 
1 1 1    1    6   24 o  414.972   7.9043  1167.40   44.449  1167.40   44.449   0.0000   0.0000  414.972   7.9043  ?   ?       ?      ? 
1 1 1    1    6   25 o  1167.65   26.213  9291.35  414.774   0.0000   0.0000  9291.35  414.774  ?   ?   1167.65   26.213      ?      ? 
1 1 1    1    6   26 o  962.275   13.388  6157.38  161.781  5944.24  193.527  6651.96  294.792  935.725   15.262  988.825   22.000 -53.10004 26.77516 
1 1 1    1    6   27 o  345.170   7.1472  807.620   33.431  807.620   33.431   0.0000   0.0000  345.170   7.1472  ?   ?       ?      ? 
1 1 1    1    6   28 o  444.152   5.8782  1337.04   35.374  1314.36   49.490  1360.72   50.582  440.304   8.2944  448.000   8.3317 -7.695435 11.75644 
1 1 1    1    6   29 o  322.933   4.9251  706.899   21.552  719.116   30.561  694.812   30.397  325.710   6.9239  320.157   7.0063 5.552948 9.850293 
1 1 1    1    6   30 o  248.732   4.4606  419.213   15.032  412.272   21.016  426.484   21.510  246.624   6.2884  250.839   6.3279 -4.214417 8.921108 
1 1 1    1    6   31 o  295.827   6.6775  593.222   26.769  593.222   26.769   0.0000   0.0000  295.827   6.6775  ?   ?       ?      ? 
1 1 1    1    6   32 o  489.569   6.2996  1624.19   41.779  1581.23   58.152  1670.01   60.063  482.885   8.8866  496.253   8.9314 -13.36804 12.59923 
1 1 1    1    6   33 o  607.980   9.0127  2451.85   69.007  2359.88   82.689  2662.85  125.249  589.811   10.346  626.148   14.761 -36.33691 18.02541 
1 1 1    1    6   34 o  809.145   11.489  4463.33  119.069  4491.52  146.463  4408.40  204.474  813.337   13.288  804.953   18.745 8.384277 22.97732 
1 1 1    1    6   35 o  578.733   10.079  2272.28   79.042  2272.28   79.042   0.0000   0.0000  578.733   10.079  ?   ?       ?      ? 
1 1 1    1    6   36 o  435.782   8.3110  1287.93   49.080   0.0000   0.0000  1287.93   49.080  ?   ?   435.782   8.3110      ?      ? 
1 1 1    1    6   38 o  245.188   5.5773  407.285   17.507  409.019   30.228  406.409   21.476  245.543   9.0844  244.833   6.4731 0.7101746 11.15465 
1 1 1    1    6   39 o  504.875   9.1616  1729.47   62.681  1729.47   62.681   0.0000   0.0000  504.875   9.1616  ?   ?       ?      ? 
1 1 1    1    6   40 f  416.772   11.377  1179.62   64.254  1179.62   64.254   0.0000   0.0000  416.772   11.377  ?   ?       ?      ? 
1 1 1    1    6   41 o  446.451   7.3067  1358.89   41.811  1335.98   71.624  1370.74   51.496  443.432   11.919  449.470   8.4545 -6.037842 14.61333 
1 1 1    1    6   42 o  239.866   4.5427  390.125   14.762  402.792   21.012  377.779   20.745  243.712   6.3621  236.020   6.4860 7.692261 9.085433 
1 1 1    1    6   43 o  308.057   4.9085  643.740   20.491  647.258   28.953  640.210   29.003  308.901   6.9166  307.212   6.9666 1.688965 9.816948 
1 1 1    1    6   44 o  309.787   6.1316  657.388   24.166  669.025   29.613  634.195   41.809  314.033   6.9587  305.540   10.098 8.492889 12.26313 
1 1 1    1    6   45 o  252.990   5.7181  430.320   18.325  423.009   22.172  446.079   32.551  249.711   6.5521  256.269   9.3732 -6.558151 11.43619 
1 1 1    1    6   46 o  199.760   4.4525  270.711   12.053  268.382   17.049  273.038   17.041  198.900   6.3253  200.620   6.2682 -1.720032 8.905042 
1 1 1    1    6   47 o  288.537   4.8187  564.953   18.841  570.543   26.714  559.421   26.577  289.958   6.7986  287.116   6.8306 2.842377 9.637321 
1 1 1    1    6   48 f  403.267   5.6315  1103.70   30.765  1074.60   42.871  1134.59   44.175  397.792   7.9530  408.743   7.9753 -10.95090 11.26296 
1 1 1    1    6   49 o  116.541   4.7535   92.173   7.5013   97.198   10.694   87.306   10.525  119.672   6.5944  113.411   6.8481 6.260597 9.506968 
1 1 1    1    6   50 o  284.363   4.8310  548.343   18.606  525.434   25.847  572.976   26.803  278.204   6.8560  290.522   6.8081 -12.31763 9.662008 
1 1 1    1    6   51 o  246.607   6.5358  412.836   21.842  412.836   21.842   0.0000   0.0000  246.607   6.5358  ?   ?       ?      ? 
1 1 1    1    6   52 o  220.829   5.5802  339.808   15.838  360.790   19.864  303.192   26.241  230.538   6.3583  211.121   9.1721 19.41669 11.16040 
1 1 1    1    6   53 o  434.635   8.3625  1284.42   49.254  1284.42   49.254   0.0000   0.0000  434.635   8.3625  ?   ?       ?      ? 
1 1 1    1    6   54 o  354.703   5.3272  854.728   25.601  876.107   36.580  834.200   35.843  359.051   7.5180  350.354   7.5495 8.696899 10.65435 
1 1 1    1    6   55 o  210.947   9.0824  302.899   25.963  302.899   25.963   0.0000   0.0000  210.947   9.0824  ?   ?       ?      ? 
1 1 1    1    6   56 o  202.188   4.6099  277.491   12.604  253.346   17.562  303.139   18.100  193.109   6.7109  211.267   6.3222 -18.15773 9.219886 
1 1 1    1    6   57 o  386.130   5.5851  1013.97   29.222  997.513   40.999  1030.96   41.661  382.947   7.9004  389.314   7.8967 -6.367218 11.17024 
1 1 1    1    6   58 o  280.992   6.0749  546.289   21.811  510.669   37.077  565.139   26.971  273.634   9.9988  288.351   6.9023 -14.71738 12.14980 
1 1 1    1    6   59 o  234.270   6.6442  373.002   21.093  373.002   21.093   0.0000   0.0000  234.270   6.6442  ?   ?       ?      ? 
1 1 1    1    6   60 o  155.777   5.9531  168.607   11.627  174.517   14.138  156.254   20.440  160.241   6.5105  151.312   9.9684 8.928558 11.90618 
1 1 1    1    6   61 o  149.652   6.1242  156.236   11.473  162.645   13.957  142.879   20.149  154.672   6.6590  144.633   10.280 10.03926 12.24849 
1 1 1    1    6   62 o  211.099   4.7158  302.984   13.490  307.130   19.184  298.929   18.972  212.529   6.6610  209.670   6.6772 2.858200 9.431513 
1 1 1    1    6   63 o  185.762   4.7820  234.764   12.033  226.986   17.012  242.551   17.022  182.671   6.8725  188.854   6.6514 -6.182678 9.564095 
1 1 1    1    6   64 o  154.055   5.7849  156.638   11.487  178.114   20.080  146.192   14.005  161.541   9.1729  146.570   7.0511 14.97124 11.56976 
1 1 1    1    6   65 o  151.693   6.1058  153.411   11.815  146.825   14.312  167.503   20.935  146.856   7.1915  156.529   9.8694 -9.673309 12.21158 
1 1 1    1    6   66 o  235.133   4.8568  375.677   15.461  356.401   21.375  396.829   22.391  228.814   6.8937  241.451   6.8433 -12.63741 9.713564 
1 1 1    1    6   67 o  180.840   4.7968  222.653   11.755  223.625   16.713  221.701   16.536  181.228   6.8053  180.452   6.7620 0.7759705 9.593544 
1 1 1    1    6   68 o   54.922   9.7820   21.266   7.1574   19.481   9.1906   24.017   11.410   52.110   13.045   57.735   14.580 -5.624622 19.56407 
1 1 1    1    6   69 o  101.099   6.7631   70.015   8.9392   69.913   11.251   70.190   14.722  101.151   8.2078  101.048   10.751 0.1029282 13.52626 
1 1 1    1    6   70 o   51.471   10.138   19.556   7.1782   15.276   12.667   21.581   8.7122   48.090   16.306   54.853   12.050 -6.763092 20.27528 
1 1 1    1    6   71 o  161.133   4.9532  176.724   10.786  196.036   15.692  159.427   14.851  169.482   6.8325  152.784   7.1730 16.69856 9.906325 
1 1 1    1    6   72 o  207.598   4.8217  294.247   13.550  275.761   18.957  313.554   19.374  200.899   6.9633  214.297   6.6714 -13.39790 9.643399 
1 1 1    1    6   73 o   82.251   7.8465   46.131   8.1604   49.168   14.607   44.753   9.8390   83.859   12.853   80.643   9.0033 3.216377 15.69305 
1 1 1    1    6   74 o  180.114   6.0837  227.832   13.899  209.865   23.829  237.098   17.112  174.087   10.101  186.141   6.7839 -12.05469 12.16746 
1 1 1    1    6   75 o  197.304   6.1228  272.435   15.226  279.697   18.566  257.521   26.607  202.055   6.7807  192.552   10.197 9.503815 12.24554 
1 1 1    1    6   76 o  103.799   5.5490   74.144   7.8010   72.006   10.815   76.464   11.263  102.250   7.8051  105.349   7.8896 -3.099174 11.09800 
1 1 1    1    6   77 o   73.892   6.6602   38.002   6.6060   31.532   9.1591   45.017   9.5368   67.198   10.058   80.586   8.7330 -13.38850 13.32031 
1 1 1    1    6   78 o   33.900   8.9884   6.2977   5.6521   8.5452   7.9863   4.0423   8.0001   36.457   12.916   31.343   12.504 5.114363 17.97672 
1 1 1    1    6   79 o   62.468   9.1982   30.245   7.4100   34.992   9.4071   22.483   12.028   70.588   9.8343   54.347   15.547 16.24072 18.39648 
1 1 1    1    6   80 o  103.317   6.8725   75.467   9.1428   74.223   15.453   76.137   11.341  102.025   11.177  104.609   7.9998 -2.584488 13.74501 
1 1 1    1    6   81 o   38.775   8.9281   10.124   5.7639   4.2484   8.1543   15.991   8.1485   31.442   12.596   46.109   12.657 -14.66666 17.85618 
1 1 1    1    6   82 o   57.272   8.1619   24.312   6.2102   28.233   8.7303   20.296   8.8358   62.873   10.247   51.670   12.707 11.20370 16.32382 
1 1 1    1    6   83 o   58.579   10.697   27.145   8.5542   28.612   12.256   25.750   11.945   60.158   15.066   56.999   15.190 3.159222 21.39455 
1 1 1    1    6   84 o   94.967   7.1938   64.020   8.8273   68.205   15.085   61.841   10.886   96.485   11.538   93.449   8.5959 3.035332 14.38765 
1 1 1    1    6   85 o   97.256   7.0418   63.770   8.8335   83.616   15.695   54.569   10.687  107.066   10.817   87.446   9.0184 19.62003 14.08369 
1 1 1    1    6   86 o   69.658   9.3778   43.583   8.0947   20.238   13.423   56.924   10.147   49.809   16.786   89.506   8.3660 -39.69702 18.75559 
1 1 1    1    6   87 o   90.195   13.481   62.492   16.478   0.0000   0.0000   62.492   16.478  ?   ?    90.195   13.481      ?      ? 
1 1 1    1    6   88 o   35.191   15.220   3.1540   13.323   0.0000   0.0000   3.1540   13.323  ?   ?    35.191   15.220      ?      ? 
1 1 1    1    6   89 o   49.581   11.402   20.809   9.1236   26.222   12.312   14.217   13.587   55.748   15.654   43.415   16.583 12.33316 22.80495 
1 1 1    1    6   90 o   44.499   10.429   10.339   8.9360  -5.7411   11.786   32.077   13.704   28.120   13.026   60.877   16.291 -32.75736 20.85858 
1 1 1    1    6   91 o   36.055   10.619   5.1393   8.7988  -1.2632   11.735   13.360   13.297   30.260   13.621   41.849   16.294 -11.58967 21.23719 
1 1 1    1    6   92 o   43.275   11.635   14.826   9.5247   9.7594   12.781   21.155   14.285   38.279   15.611   48.271   17.255 -9.992203 23.26915 
1 1 1    1    6   93 o   71.369   11.288   45.613   10.688   52.188   15.125   39.052   15.107   77.969   14.857   64.770   16.998 13.19946 22.57549 
1 1 1    1    6   94 o   33.992   10.330   3.6057   9.0830   12.669   12.754  -5.7224   12.939   39.536   15.783   28.448   13.333 11.08833 20.66089 
1 1 1    1    6   95 o   71.531   16.219   48.193   15.360   48.193   15.360   0.0000   0.0000   71.531   16.219  ?   ?       ?      ? 
1 1 1    1    6   96 f   18.381   9.3027 -32.6754   11.459 -32.6754   11.459   0.0000   0.0000   18.381   9.3027  ?   ?       ?      ? 
1 1 1    1    7    0 o  370.757   5.2226  931.900   26.236  918.213   36.705  946.196   37.513  367.975   7.3608  373.539   7.4108 -5.563141 10.44521 
1 1 1    1    7    1 o  655.698   7.8190  2918.48   69.476  2927.19   98.269  2909.77   98.240  656.679   11.043  654.718   11.073 1.960266 15.63800 
1 1 1    1    7    2 o  553.495   6.8383  2076.50   51.263  2011.98   71.081  2146.44   74.001  544.547   9.6324  562.443   9.7090 -17.89575 13.67655 
1 1 1    1    7    3 o  411.472   5.5623  1148.20   31.014  1161.34   43.974  1135.20   43.749  413.815   7.8416  409.128   7.8908 4.686676 11.12459 
1 1 1    1    7    4 f  350.160   5.0706  830.513   24.048  802.735   33.358  860.570   34.699  344.071   7.1543  356.249   7.1875 -12.17807 10.14122 
1 1 1    1    7    5 o  388.056   6.5798  1016.52   32.504  1006.93   39.579  1036.38   56.967  385.341   7.5795  390.771   10.758 -5.430023 13.15962 
1 1 1    1    7    6 o  643.577   10.908  2815.57   95.132  2848.15  135.258  2783.69  133.828  647.261   15.421  639.893   15.433 7.368225 21.81694 
1 1 1    1    7    7 o  501.977   7.7835  1707.08   49.935  1719.48   86.574  1700.90   61.129  503.203   12.696  500.751   9.0082 2.452057 15.56708 
1 1 1    1    7    8 o  621.947   7.4965  2623.21   63.161  2560.66   87.930  2689.90   90.784  614.294   10.563  629.599   10.641 -15.30463 14.99309 
1 1 1    1    7    9 o  665.779   9.6809  2913.74   80.509  2771.84   95.609  3259.59  149.262  639.096   11.040  692.462   15.906 -53.36652 19.36184 
1 1 1    1    7   10 o  550.320   8.3912  2081.87   59.440  2143.36   73.955  1969.65   99.900  562.106   9.7088  538.535   13.689 23.57074 16.78232 
1 1 1    1    7   11 o  630.905   8.7414  2670.12   64.154  2640.51   73.568  2764.12  131.071  623.980   8.7004  637.830   15.164 -13.84961 17.48278 
1 1 1    1    7   12 o  642.606   8.8761  2758.96   66.209  2718.76   75.786  2888.53  136.067  633.166   8.8326  652.046   15.399 -18.88092 17.75227 
1 1 1    1    7   13 o  687.724   10.000  3236.85   88.338  3292.92  109.291  3131.19  150.033  696.627   11.577  678.822   16.310 17.80475 20.00097 
1 1 1    1    7   14 o  660.849   9.6570  2963.86   81.490  2962.14   99.743  2967.30  141.318  660.772   11.139  660.927   15.778 -0.1545410 19.31405 
1 1 1    1    7   15 o  432.368   6.6236  1251.19   33.357  1235.72   38.262  1300.20   68.095  426.963   6.6129  437.774   11.479 -10.81070 13.24713 
1 1 1    1    7   16 o  603.856   7.3186  2473.09   59.888  2461.23   84.390  2485.11   85.002  602.399   10.338  605.313   10.363 -2.913940 14.63729 
1 1 1    1    7   17 o  857.368   9.8723  4988.21  114.687  4911.62  160.665  5067.79  163.762  850.661   13.937  864.074   13.986 -13.41260 19.74453 
1 1 1    1    7   19 o  738.803   12.246  3703.12  122.607   0.0000   0.0000  3703.12  122.607  ?   ?   738.803   12.246      ?      ? 
1 1 1    1    7   20 o  401.379   5.5063  1092.01   29.948  1078.32   42.067  1106.08   42.645  398.828   7.7835  403.930   7.7908 -5.101532 11.01269 
1 1 1    1    7   21 o  712.741   8.4200  3446.13   81.325  3441.58  114.847  3450.71  115.175  712.270   11.899  713.212   11.917 -0.9425049 16.83992 
1 1 1    1    7   22 o  502.117   7.7915  1650.26   48.917  1562.55   58.085  1864.22   90.719  480.060   8.9286  524.174   12.771 -44.11475 15.58306 
1 1 1    1    7   23 o  428.324   7.0026  1205.59   37.639  1146.76   44.863  1345.44   69.170  411.284   8.0495  445.364   11.461 -34.08078 14.00519 
1 1 1    1    7   24 o  576.552   7.0855  2251.14   55.319  2169.39   76.502  2340.74   80.088  565.597   9.9812  587.506   10.059 -21.90869 14.17095 
1 1 1    1    7   25 o  505.583   6.4331  1733.20   44.075  1732.00   62.220  1734.42   62.444  505.408   9.0845  505.758   9.1109 -0.3507080 12.86616 
1 1 1    1    7   26 o  310.364   4.8479  652.896   20.388  648.544   28.635  657.371   29.035  309.316   6.8315  311.413   6.8802 -2.096863 9.695736 
1 1 1    1    7   27 o  310.617   6.9030  654.029   29.056   0.0000   0.0000  654.029   29.056  ?   ?   310.617   6.9030      ?      ? 
1 1 1    1    7   28 o  474.193   6.1511  1524.10   39.518  1494.80   55.199  1554.91   56.602  469.521   8.6755  478.865   8.7224 -9.344177 12.30218 
1 1 1    1    7   29 o  474.179   6.1667  1523.31   39.607  1478.59   55.003  1571.48   57.081  466.957   8.6921  481.400   8.7500 -14.44342 12.33344 
1 1 1    1    7   30 o  271.343   6.6198  499.113   24.341   0.0000   0.0000  499.113   24.341  ?   ?   271.343   6.6198      ?      ? 
1 1 1    1    7   31 o  707.159   10.267  3413.07   93.142  3448.46  114.880  3345.17  159.118  712.819   11.893  701.498   16.738 11.32117 20.53308 
1 1 1    1    7   32 o  893.430   12.544  5413.23  142.850  5381.75  174.340  5477.55  249.192  890.072   14.454  896.789   20.505 -6.717468 25.08740 
1 1 1    1    7   33 o  882.385   10.158  5289.76  121.462  5261.93  171.057  5318.06  172.498  880.048   14.343  884.722   14.388 -4.673706 20.31608 
1 1 1    1    7   35 o  480.947   7.7248  1591.75   47.803  1498.82   80.301  1642.77   59.493  469.784   12.614  492.109   8.9212 -22.32513 15.44962 
1 1 1    1    7   36 o  446.585   7.3629  1374.21   42.338  1285.58   70.884  1423.36   52.788  435.095   12.022  458.075   8.5039 -22.97974 14.72571 
1 1 1    1    7   38 o  332.927   7.2269  751.736   32.605   0.0000   0.0000  751.736   32.605  ?   ?   332.927   7.2269      ?      ? 
1 1 1    1    7   39 o  137.593   5.3950  122.000   9.6181  150.363   16.819  108.219   11.724  148.865   8.3375  126.320   6.8490 22.54503 10.78999 
1 1 1    1    7   40 o  557.847   13.900  2117.43  105.077  2117.43  105.077   0.0000   0.0000  557.847   13.900  ?   ?       ?      ? 
1 1 1    1    7   41 o  511.252   8.0387  1762.76   52.120  1738.12   63.176  1815.26   92.223  505.971   9.2139  516.533   13.175 -10.56161 16.07739 
1 1 1    1    7   42 o  319.294   6.1734  684.717   24.919  671.930   30.084  712.663   44.474  314.706   7.0543  323.882   10.133 -9.176208 12.34670 
1 1 1    1    7   43 o  333.464   7.1883  754.544   32.483  754.544   32.483   0.0000   0.0000  333.464   7.1883  ?   ?       ?      ? 
1 1 1    1    7   45 o  238.189   4.5870  384.874   14.805  379.241   20.764  390.698   21.113  236.417   6.4813  239.961   6.4929 -3.544174 9.174100 
1 1 1    1    7   46 o  364.764   5.3565  902.741   26.468  877.130   36.861  930.003   38.030  359.428   7.5678  370.101   7.5826 -10.67307 10.71297 
1 1 1    1    7   47 o  343.939   7.3406  803.175   34.213  803.175   34.213   0.0000   0.0000  343.939   7.3406  ?   ?       ?      ? 
1 1 1    1    7   48 o  279.648   6.7524  530.864   25.589  530.864   25.589   0.0000   0.0000  279.648   6.7524  ?   ?       ?      ? 
1 1 1    1    7   49 o  291.687   4.8832  577.672   19.300  590.076   27.374  565.411   27.215  294.805   6.8521  288.569   6.9594 6.236450 9.766484 
1 1 1    1    7   50 o  375.247   5.4684  956.155   27.799  931.236   38.760  982.553   39.893  370.216   7.7258  380.278   7.7413 -10.06183 10.93688 
1 1 1    1    7   51 o  245.283   5.5560  393.506   17.408  365.690   21.004  454.526   31.109  232.063   6.6791  258.502   8.8806 -26.43958 11.11194 
1 1 1    1    7   52 o  177.091   6.3037  212.048   15.037  247.535   22.155  181.733   20.477  190.772   8.5698  163.410   9.2469 27.36200 12.60741 
1 1 1    1    7   53 o  156.901   5.5882  168.922   11.221  162.604   19.172  172.213   13.838  154.557   9.1538  159.245   6.4125 -4.687759 11.17641 
1 1 1    1    7   54 o  116.722   4.9220   92.632   7.7767   87.457   10.985   97.833   11.011  113.443   7.1453  120.002   6.7712 -6.558899 9.844025 
1 1 1    1    7   55 o  340.993   5.2473  790.480   24.247  784.821   34.163  796.224   34.418  339.764   7.4199  342.223   7.4215 -2.459076 10.49450 
1 1 1    1    7   56 o  171.791   4.6206  200.507   10.756  202.678   15.261  198.365   15.163  172.715   6.5205  170.866   6.5485 1.849655 9.241180 
1 1 1    1    7   57 o  117.860   6.2949   98.200   9.2769   84.885   16.056  104.873   11.366  111.502   10.626  124.218   6.7523 -12.71619 12.58972 
1 1 1    1    7   58 o  249.249   6.8423  423.722   23.100  441.313   32.861  406.538   32.480  254.387   9.5324  244.111   9.8184 10.27628 13.68455 
1 1 1    1    7   59 o  328.019   6.3898  726.322   26.598  713.403   32.236  753.879   47.078  323.831   7.3457  332.207   10.458 -8.376282 12.77963 
1 1 1    1    7   60 o  181.348   4.6715  223.606   11.479  222.080   16.299  225.108   16.170  180.729   6.6552  181.966   6.5574 -1.236847 9.342956 
1 1 1    1    7   61 o  172.131   4.7755  200.525   11.087  230.133   16.255  174.770   15.160  183.976   6.5199  160.286   6.9795 23.69022 9.551058 
1 1 1    1    7   62 o  252.240   4.8346  431.842   16.499  399.310   22.790  467.671   23.917  242.264   6.9418  262.215   6.7308 -19.95103 9.669119 
1 1 1    1    7   63 o  239.790   6.7787  391.196   22.027  391.196   22.027   0.0000   0.0000  239.790   6.7787  ?   ?       ?      ? 
1 1 1    1    7   64 o  190.909   4.7398  247.902   12.253  234.794   17.152  261.563   17.510  185.744   6.8143  196.075   6.5901 -10.33067 9.479686 
1 1 1    1    7   65 o  138.469   4.9678  130.541   9.3202  133.894   13.265  127.272   13.098  140.229   6.9803  136.708   7.0704 3.520279 9.935537 
1 1 1    1    7   66 o  109.503   5.3822   81.868   7.9716   76.197   11.285   87.517   11.262  105.689   7.8793  113.318   7.3340 -7.629242 10.76437 
1 1 1    1    7   67 o  110.457   5.4820   83.441   8.1594   72.656   11.449   94.573   11.632  103.143   8.1910  117.772   7.2882 -14.62965 10.96405 
1 1 1    1    7   68 o   86.258   8.2952   50.984   9.6442   59.036   14.226   44.136   13.119   92.570   11.341   79.947   12.109 12.62224 16.59036 
1 1 1    1    7   69 o   98.434   11.262   66.856   15.022   66.856   15.022   0.0000   0.0000   98.434   11.262  ?   ?       ?      ? 
1 1 1    1    7   70 o   79.422   6.6592   43.430   7.1497   46.638   10.076   40.177   10.147   82.427   9.0202   76.416   9.7989 6.011475 13.31850 
1 1 1    1    7   71 o  121.979   5.2539  101.823   8.6802   97.800   12.236  105.897   12.315  119.533   7.5541  124.424   7.3040 -4.890396 10.50778 
1 1 1    1    7   72 o  230.630   4.8819  363.796   15.257  367.710   21.684  359.958   21.472  231.859   6.9012  229.400   6.9070 2.458939 9.763872 
1 1 1    1    7   73 o  137.210   7.3247  130.612   13.619  131.549   19.226  129.668   19.294  137.722   10.302  136.699   10.415 1.023056 14.64940 
1 1 1    1    7   74 o   67.914   9.3008   37.740   7.8090   20.418   13.051   47.398   9.7460   52.961   16.453   82.867   8.6788 -29.90633 18.60154 
1 1 1    1    7   75 o   63.511   7.7707   28.619   6.5429   28.334   9.0107   28.937   9.5160   63.710   10.437   63.312   11.516 0.3983803 15.54149 
1 1 1    1    7   76 o   94.511   8.0710   62.759   10.296   70.944   14.989   55.448   14.167  100.453   11.011   88.569   11.803 11.88443 16.14191 
1 1 1    1    7   77 o  114.777   5.4041   91.054   8.4048   91.948   11.976   90.186   11.799  115.326   7.6629  114.228   7.6221 1.098572 10.80813 
1 1 1    1    7   78 o  124.965   5.2861  107.770   8.8356   85.945   12.102  132.681   12.930  111.253   8.0273  138.678   6.8801 -27.42432 10.57226 
1 1 1    1    7   79 o   91.794   5.8933   58.794   7.3293   59.128   10.278   58.448   10.455   92.091   8.2355   91.498   8.4321 0.5927963 11.78665 
1 1 1    1    7   80 o   64.401   7.3044   29.522   6.3741   29.074   9.0150   29.971   9.0136   63.887   10.413   64.915   10.246 -1.027943 14.60881 
1 1 1    1    7   81 o   96.894   6.8295   62.986   8.5858   80.080   14.997   54.651   10.472  105.731   10.467   88.056   8.7755 17.67453 13.65894 
1 1 1    1    7   82 o   94.586   7.0613   62.002   8.7222   71.914   14.813   56.742   10.791   99.659   10.968   89.513   8.8961 10.14571 14.12261 
1 1 1    1    7   83 o   82.238   9.0068   50.853   9.7652   44.945   13.644   57.057   13.982   76.357   13.689   88.118   11.709 -11.76080 18.01361 
1 1 1    1    7   84 o   77.937   9.0192   48.629   8.4693   38.023   14.257   54.413   10.528   68.507   15.694   87.367   8.8926 -18.85925 18.03830 
1 1 1    1    7   85 o   33.126   10.179   0.0172   8.6962  -5.9353   11.874   6.9031   12.771   28.602   13.188   37.650   15.509 -9.048492 20.35795 
1 1 1    1    7   86 o   61.827   10.983   29.824   9.7751   15.643   12.813   49.569   15.119   44.954   16.307   78.699   14.718 -33.74485 21.96688 
1 1 1    1    7   87 o  105.602   12.718   85.087   18.200   0.0000   0.0000   85.087   18.200  ?   ?   105.602   12.718      ?      ? 
1 1 1    1    7   88 o   54.988   17.597   26.651   14.826   0.0000   0.0000   26.651   14.826  ?   ?    54.988   17.597      ?      ? 
1 1 1    1    7   89 o   31.652   9.9271  -0.2084   8.4706  -3.2310   11.428   3.4763   12.618   28.983   13.203   34.321   14.828 -5.338049 19.85420 
1 1 1    1    7   90 o   38.937   11.062   10.183   8.9506   11.677   12.159   8.4148   13.224   39.958   15.574   37.916   15.715 2.042381 22.12464 
1 1 1    1    7   91 o   52.186   11.028   21.537   9.7506   5.4830   13.048   41.836   14.673   35.369   15.178   69.003   16.002 -33.63417 22.05533 
1 1 1    1    7   92 o   31.174   9.9707  -0.9318   9.0692  -4.6219   12.609   3.0237   13.054   28.919   13.424   33.428   14.747 -4.509525 19.94142 
1 1 1    1    7   93 o   32.367   10.193   1.0944   9.2395   7.8853   13.209  -5.4107   12.928   36.162   15.388   28.573   13.372 7.589548 20.38582 
1 1 1    1    7   94 o   39.729   11.074   11.435   9.4955   23.533   13.847   0.6948   13.046   48.234   17.016   31.225   14.179 17.00880 22.14863 
1 1 1    1    7   95 o   34.156   15.026   6.4336   13.463   6.4336   13.463   0.0000   0.0000   34.156   15.026  ?   ?       ?      ? 
1 1 1    1    8    0 o  613.721   9.0996  2523.81   70.647  2467.68   85.271  2646.68  126.156  603.154   10.433  624.288   14.912 -21.13422 18.19915 
1 1 1    1    8    1 o  330.306   7.0273  739.443   31.438  773.592   45.082  707.114   43.864  337.728   9.8504  322.885   10.025 14.84277 14.05451 
1 1 1    1    8    2 o  257.667   5.4613  446.592   18.056  461.019   31.242  439.356   22.125  260.743   8.8418  254.590   6.4129 6.152176 10.92259 
1 1 1    1    8    3 o  752.779   8.7970  3844.32   89.723  3781.65  125.445  3909.95  128.382  746.503   12.400  759.054   12.481 -12.55054 17.59395 
1 1 1    1    8    4 o  827.636   9.5524  4649.15  107.130  4614.22  150.595  4684.94  152.431  824.492   13.479  830.780   13.540 -6.287537 19.10474 
1 1 1    1    8    5 o  785.197   9.1249  4184.13   97.093  4181.45  137.068  4186.83  137.554  784.947   12.886  785.447   12.923 -0.5006104 18.24986 
1 1 1    1    8    6 o  915.984   12.812  5685.83  149.636  5752.49  260.884  5653.15  182.672  919.497   20.937  912.472   14.773 7.024109 25.62421 
1 1 1    1    8    7 o  488.884   7.7193  1638.38   48.548  1565.68   81.925  1677.73   60.271  480.348   12.586  497.421   8.9413 -17.07269 15.43852 
1 1 1    1    8    8 o  300.409   5.8507  611.947   22.492  611.590   38.823  612.128   27.594  300.312   9.5397  300.506   6.7761 -0.1938782 11.70135 
1 1 1    1    8    9 o  364.426   5.2536  899.807   25.937  928.137   37.157  872.885   36.222  370.018   7.4103  358.834   7.4490 11.18341 10.50718 
1 1 1    1    8   10 o  308.001   5.5802  647.515   20.150  651.943   23.297  634.365   40.148  310.148   5.5430  305.853   9.6866 4.295197 11.16040 
1 1 1    1    8   11 o  489.398   7.3058  1647.44   42.239  1672.27   49.132  1577.12   82.697  496.678   7.2997  482.117   12.658 14.56100 14.61169 
1 1 1    1    8   12 o  670.926   9.2249  3011.82   71.893  2972.60   82.348  3137.53  147.429  662.117   9.1778  679.735   16.005 -17.61786 18.44986 
1 1 1    1    8   13 o  410.187   6.5109  1161.40   31.560  1183.72   36.756  1098.76   61.571  417.898   6.4904  402.477   11.289 15.42188 13.02176 
1 1 1    1    8   14 o  547.234   7.8549  2015.96   50.185  2001.38   57.701  2061.24  101.687  543.346   7.8366  551.123   13.616 -7.777100 15.70971 
1 1 1    1    8   15 o  521.415   7.5756  1813.11   45.879  1784.95   52.516  1903.84   94.282  513.137   7.5522  529.694   13.135 -16.55707 15.15111 
1 1 1    1    8   16 o  698.358   9.5553  3305.21   78.247  3300.87   90.292  3318.32  156.803  697.705   9.5498  699.011   16.553 -1.306946 19.11060 
1 1 1    1    8   17 o  592.086   10.265  2377.42   82.359  2377.42   82.359   0.0000   0.0000  592.086   10.265  ?   ?       ?      ? 
1 1 1    1    8   18 o  302.759   6.7566  621.320   27.721  621.320   27.721   0.0000   0.0000  302.759   6.7566  ?   ?       ?      ? 
1 1 1    1    8   19 o  521.433   6.6014  1840.32   46.603  1763.40   64.266  1925.64   67.679  509.964   9.2995  532.903   9.3718 -22.93954 13.20273 
1 1 1    1    8   20 o  534.642   6.6948  1938.07   48.501  1919.79   68.123  1956.86   69.070  532.087   9.4477  537.197   9.4880 -5.110107 13.38956 
1 1 1    1    8   21 o  261.037   4.5814  461.193   16.194  440.489   22.426  483.756   23.411  254.923   6.4916  267.151   6.4667 -12.22720 9.162880 
1 1 1    1    8   22 o  455.771   8.5153  1408.42   52.593   0.0000   0.0000  1408.42   52.593  ?   ?   455.771   8.5153      ?      ? 
1 1 1    1    8   23 o  359.726   7.4412  877.252   36.274   0.0000   0.0000  877.252   36.274  ?   ?   359.726   7.4412      ?      ? 
1 1 1    1    8   25 o  443.918   5.9085  1335.96   35.540  1319.93   49.817  1352.57   50.718  441.208   8.3320  446.628   8.3798 -5.419708 11.81708 
1 1 1    1    8   26 o  319.648   4.9502  692.381   21.438  677.549   29.951  707.963   30.698  316.139   6.9912  323.157   7.0099 -7.017242 9.900301 
1 1 1    1    8   28 o  704.493   10.232  3374.38   92.173  3380.59  113.054  3362.06  159.183  705.756   11.821  703.229   16.704 2.526794 20.46341 
1 1 1    1    8   29 o  836.154   11.840  4716.18  125.727  4646.84  152.571  4862.90  221.932  827.159   13.611  845.148   19.378 -17.98877 23.68052 
1 1 1    1    8   30 o  505.309   7.9110  1732.23   51.048  1730.69   62.482  1735.31   88.528  505.115   9.1281  505.504   12.923 -0.3891602 15.82200 
1 1 1    1    8   31 o  315.496   4.9806  674.877   21.293  665.692   30.016  684.181   30.211  313.335   7.0691  317.658   7.0180 -4.323029 9.961193 
1 1 1    1    8   32 o  358.948   6.5692  895.345   30.329  802.966   50.263  948.238   38.033  343.955   10.784  373.941   7.5054 -29.98572 13.13842 
1 1 1    1    8   33 o  486.148   6.3230  1601.52   41.631  1544.63   57.717  1663.22   60.107  477.160   8.9259  495.136   8.9582 -17.97568 12.64599 
1 1 1    1    8   34 f  297.885   4.8769  601.438   19.682  586.526   27.493  617.115   28.189  294.099   6.8984  301.670   6.8954 -7.571777 9.753709 
1 1 1    1    8   35 o  340.156   5.1544  783.792   23.745  752.844   32.931  817.308   34.270  333.170   7.2938  347.142   7.2850 -13.97162 10.30878 
1 1 1    1    8   36 o  596.264   10.398  2414.10   84.021  2414.10   84.021   0.0000   0.0000  596.264   10.398  ?   ?       ?      ? 
1 1 1    1    8   37 o  671.674   16.094  3073.79  146.493  3073.79  146.493   0.0000   0.0000  671.674   16.094  ?   ?       ?      ? 
1 1 1    1    8   38 o  663.767   11.338  2986.91  101.707  3247.56  150.590  2768.28  137.915  690.234   16.100  637.300   15.969 52.93378 22.67628 
1 1 1    1    8   39 o  525.894   8.2056  1855.65   54.604  1813.03   65.917  1948.85   97.474  516.702   9.4141  535.087   13.443 -18.38470 16.41120 
1 1 1    1    8   40 o  261.936   6.6202  465.439   23.499  465.439   23.499   0.0000   0.0000  261.936   6.6202  ?   ?       ?      ? 
1 1 1    1    8   41 o  215.752   4.5081  315.531   13.175  305.694   18.338  326.029   18.943  212.278   6.3746  219.225   6.3763 -6.946747 9.016256 
1 1 1    1    8   42 o  316.517   4.9939  679.331   21.411  657.898   29.787  702.242   30.798  311.356   7.0597  321.678   7.0650 -10.32166 9.987733 
1 1 1    1    8   43 o  316.023   4.9989  677.637   21.405  664.076   29.964  691.767   30.587  312.796   7.0691  319.250   7.0699 -6.454926 9.997789 
1 1 1    1    8   44 o  142.419   4.5859  137.615   8.8488  136.245   12.368  139.051   12.665  141.695   6.4413  143.143   6.5292 -1.448288 9.171735 
1 1 1    1    8   46 o  427.272   8.2826  1240.51   47.957  1240.51   47.957   0.0000   0.0000  427.272   8.2826  ?   ?       ?      ? 
1 1 1    1    8   47 o  212.058   6.4576  305.254   18.557   0.0000   0.0000  305.254   18.557  ?   ?   212.058   6.4576      ?      ? 
1 1 1    1    8   48 o  142.153   4.5676  137.017   8.7890  128.141   12.217  146.539   12.653  137.382   6.5624  146.923   6.3551 -9.541183 9.135224 
1 1 1    1    8   49 o  162.896   4.5304  180.118   9.9984  174.733   14.034  185.669   14.249  160.422   6.4554  165.371   6.3582 -4.949036 9.060835 
1 1 1    1    8   50 o  207.161   6.3588  291.091   17.810  320.616   25.935  264.743   24.499  217.088   8.8159  197.235   9.1662 19.85300 12.71766 
1 1 1    1    8   51 o  212.023   5.5389  302.581   15.147  295.944   18.644  315.467   25.978  208.741   6.5908  215.304   8.9039 -6.562729 11.07779 
1 1 1    1    8   52 f  191.522   4.5908  249.080   11.910  238.962   16.703  259.542   16.986  187.561   6.5717  195.482   6.4119 -7.921448 9.181514 
1 1 1    1    8   53 o  344.638   5.2912  807.545   24.711  806.699   34.916  808.395   34.978  344.457   7.4801  344.819   7.4856 -0.3610840 10.58235 
1 1 1    1    8   54 o  226.947   4.7171  349.559   14.494  329.208   20.147  371.390   20.866  220.100   6.7547  233.794   6.5861 -13.69295 9.434118 
1 1 1    1    8   55 o  388.877   5.6361  1029.01   29.700  1043.16   42.140  1015.05   41.865  391.538   7.9421  386.216   7.9990 5.321991 11.27218 
1 1 1    1    8   56 o  231.152   5.8371  359.849   17.139  352.707   20.781  375.042   30.310  227.790   6.7319  234.514   9.5376 -6.723801 11.67414 
1 1 1    1    8   57 f  190.727   5.8401  252.207   14.140  234.542   24.310  261.239   17.382  185.409   9.6755  196.044   6.5429 -10.63515 11.68011 
1 1 1    1    8   58 o  252.681   6.0221  438.415   19.240  425.539   33.723  444.629   23.427  249.648   9.9681  255.714   6.7604 -6.066452 12.04428 
1 1 1    1    8   59 f  214.404   4.7904  312.358   13.891  286.288   19.343  340.124   19.962  205.152   6.9578  223.656   6.5864 -18.50430 9.580779 
1 1 1    1    8   60 o  223.615   4.7700  339.876   14.447  356.079   20.706  324.508   20.166  228.814   6.6777  218.418   6.8131 10.39590 9.539934 
1 1 1    1    8   61 o  146.498   4.9694  146.042   9.7791  172.876   14.145  121.471   13.535  159.431   6.5470  133.565   7.4778 25.86586 9.938876 
1 1 1    1    8   62 o  144.811   4.8976  142.700   9.6054  136.165   13.485  149.430   13.685  141.436   7.0357  148.186   6.8150 -6.750015 9.795190 
1 1 1    1    8   63 o  111.389   5.3813   84.416   8.1001   93.598   11.699   75.960   11.226  117.218   7.3649  105.560   7.8480 11.65851 10.76253 
1 1 1    1    8   64 o  198.736   4.7741  268.898   12.857  271.825   18.242  266.008   18.123  199.813   6.7370  197.659   6.7661 2.153885 9.548154 
1 1 1    1    8   65 o  114.681   5.3648   89.673   8.3358   91.941   11.904   87.490   11.677  116.106   7.5659  113.256   7.6080 2.849693 10.72957 
1 1 1    1    8   66 o   72.315   8.4614   35.787   7.7469   39.495   13.226   33.851   9.5583   74.392   13.621   70.238   10.042 4.153709 16.92272 
1 1 1    1    8   67 o   65.471   7.9836   30.688   6.6663   44.418   9.6739   18.274   9.1990   80.529   8.8648   50.413   13.280 30.11596 15.96719 
1 1 1    1    8   68 o  137.815   6.1676  134.260   10.925  145.092   13.796  116.042   17.891  145.789   6.9831  129.840   10.168 15.94876 12.33522 
1 1 1    1    8   69 o   63.299   8.0203   29.001   6.5527   19.586   9.3137   38.229   9.2209   52.012   13.194   74.587   9.1229 -22.57456 16.04055 
1 1 1    1    8   70 o  123.716   5.2915  104.768   8.8599  112.161   12.672   97.697   12.392  128.016   7.3047  119.417   7.6577 8.598633 10.58301 
1 1 1    1    8   71 o  152.431   6.2666  157.001   12.130  151.574   14.662  168.771   21.593  148.741   7.2742  156.121   10.206 -7.380157 12.53326 
1 1 1    1    8   72 o   29.524   13.197  -3.8204   10.807   0.0000   0.0000  -3.8204   10.807  ?   ?    29.524   13.197      ?      ? 
1 1 1    1    8   73 o   59.514   16.354   26.521   13.596   0.0000   0.0000   26.521   13.596  ?   ?    59.514   16.354      ?      ? 
1 1 1    1    8   74 f  114.605   7.8569   91.360   12.058   73.635   16.305  112.756   17.913  102.201   11.773  127.009   10.408 -24.80807 15.71376 
1 1 1    1    8   75 o   97.893   5.7266   66.301   7.5822   60.966   10.604   71.883   10.846   93.802   8.3417  101.984   7.8481 -8.182259 11.45327 
1 1 1    1    8   76 o   51.776   8.8040   20.032   6.1684   24.208   8.6307   15.671   8.8193   57.516   11.475   46.035   13.355 11.48074 17.60797 
1 1 1    1    8   77 o   50.369   8.7577   18.712   6.1426   11.726   8.4595   26.503   8.9339   40.597   13.316   60.141   11.379 -19.54392 17.51547 
1 1 1    1    8   78 o   32.298   8.9509   5.1112   5.7031   4.7771   7.9250   5.4701   8.2134   31.759   12.515   32.838   12.800 -1.079456 17.90179 
1 1 1    1    8   79 o   92.534   6.9864   58.049   8.4407   71.286   14.459   51.205   10.396   99.812   10.690   85.256   8.9984 14.55622 13.97278 
1 1 1    1    8   80 o   64.724   9.3072   29.045   7.5577   42.938   13.360   22.507   9.1650   75.081   13.633   54.366   12.674 20.71586 18.61431 
1 1 1    1    8   81 o   77.813   8.3936   44.850   8.1455   44.796   13.872   44.879   10.063   76.251   13.939   79.376   9.3552 -3.125862 16.78724 
1 1 1    1    8   82 f   36.653   9.8833   7.7943   6.6616   11.406   10.866   5.6196   8.4319   40.569   14.971   32.738   12.907 7.830589 19.76658 
1 1 1    1    8   83 o   34.313   14.180   4.8827   10.723   4.8827   10.723   0.0000   0.0000   34.313   14.180  ?   ?       ?      ? 
1 1 1    1    8   84 o   57.587   11.721   27.297   9.4968   24.777   12.251   31.093   15.034   54.840   15.691   60.333   17.418 -5.492188 23.44293 
1 1 1    1    8   85 o   78.126   10.082   46.904   10.348   39.598   13.453   57.490   16.194   70.146   14.627   86.107   13.879 -15.96058 20.16321 
1 1 1    1    8   86 o   33.582   10.235   1.3867   8.2465  -2.6975   10.365   8.4301   13.612   28.174   12.731   38.989   16.030 -10.81560 20.47020 
1 1 1    1    8   87 o   48.945   17.636   20.377   14.951   0.0000   0.0000   20.377   14.951  ?   ?    48.945   17.636      ?      ? 
1 1 1    1    8   88 o   66.288   17.286   39.034   15.689   0.0000   0.0000   39.034   15.689  ?   ?    66.288   17.286      ?      ? 
1 1 1    1    8   89 o   33.711   10.423   2.7102   9.0919   5.2037   12.199  -0.4055   13.636   34.793   14.796   32.628   14.685 2.165276 20.84671 
1 1 1    1    8   90 o   48.862   12.090   21.858   9.8566   22.046   13.247   21.623   14.753   49.256   16.676   48.467   17.511 0.7891541 24.18063 
1 1 1    1    8   91 o   39.311   11.347   10.963   9.7372   15.937   13.763   5.9786   13.778   42.932   16.615   35.690   15.457 7.241940 22.69307 
1 1 1    1    8   92 o   49.299   12.309   24.177   10.269   22.704   14.574   25.629   14.473   47.926   17.391   50.671   17.426 -2.744648 24.61898 
1 1 1    1    8   93 f   38.987   10.526   7.3187   9.4899   27.204   13.603 -11.5372   13.246   51.872   16.879   26.103   12.580 25.76884 21.05174 
1 1 1    1    8   94 o   35.388   10.785   8.0889   9.5431   13.437   13.644   2.9669   13.353   38.733   16.000   32.043   14.467 6.690235 21.57055 
1 1 1    1    9    0 o  528.177   8.1348  1892.59   55.064  1891.47   94.759  1893.16   67.660  527.964   13.244  528.390   9.4492 -0.4265137 16.26970 
1 1 1    1    9    1 o  623.971   7.5556  2639.74   63.875  2599.04   89.280  2682.43   91.425  619.047   10.643  628.895   10.728 -9.847839 15.11116 
1 1 1    1    9    2 o  812.194   9.4194  4470.70  103.602  4325.58  143.308  4629.59  149.947  798.411   13.245  825.978   13.396 -27.56683 18.83879 
1 1 1    1    9    3 o  735.927   8.6504  3672.60   86.247  3604.06  120.305  3745.09  123.709  728.869   12.180  742.985   12.287 -14.11560 17.30089 
1 1 1    1    9    4 o  587.859   7.2131  2341.98   57.439  2287.03   79.881  2400.81   82.652  580.727   10.151  594.992   10.251 -14.26587 14.42615 
1 1 1    1    9    5 o  577.680   7.1142  2261.55   55.671  2209.34   77.427  2317.43   80.103  570.785   10.010  584.576   10.112 -13.79169 14.22846 
1 1 1    1    9    6 o  344.920   5.1215  806.463   23.935  806.820   33.576  806.094   34.130  344.999   7.1817  344.841   7.3036 0.1576843 10.24302 
1 1 1    1    9    7 o  409.083   5.6215  1134.54   31.162  1140.69   43.947  1128.33   44.193  410.198   7.9059  407.967   7.9937 2.230957 11.24291 
1 1 1    1    9    8 o  657.695   7.8988  2926.59   70.305  2788.32   96.451  3083.34  102.696  641.166   11.101  674.224   11.240 -33.05780 15.79764 
1 1 1    1    9    9 o  536.640   6.7473  1952.72   49.066  1946.95   69.055  1958.61   69.730  535.840   9.5099  537.440   9.5744 -1.599670 13.49469 
1 1 1    1    9   10 o  667.370   7.9854  3020.95   72.216  3010.17  101.706  3031.91  102.557  666.171   11.266  668.569   11.320 -2.398682 15.97070 
1 1 1    1    9   11 o  721.874   9.8514  3512.90   82.829  3490.42   95.149  3583.25  168.309  717.439   9.7867  726.309   17.100 -8.870239 19.70272 
1 1 1    1    9   12 o  666.492   9.2314  3012.04   83.377  3012.04   83.377   0.0000   0.0000  666.492   9.2314  ?   ?       ?      ? 
1 1 1    1    9   13 o  716.842   9.7644  3484.66   94.853  3484.66   94.853   0.0000   0.0000  716.842   9.7644  ?   ?       ?      ? 
1 1 1    1    9   14 o  475.589   7.2194  1550.08   40.388  1566.81   46.823  1501.46   79.832  480.764   7.1869  470.413   12.523 10.35095 14.43885 
1 1 1    1    9   15 o  122.655   5.3384  101.697   7.6303  101.420   8.7746  102.556   15.453  122.329   5.2931  122.981   9.2725 -0.6515121 10.67688 
1 1 1    1    9   16 o  400.014   6.8936  1103.92   35.468  1148.53   44.228  1023.52   59.370  411.595   7.9294  388.434   11.279 23.16040 13.78729 
1 1 1    1    9   17 o  594.081   8.4274  2398.74   58.706  2402.90   67.795  2386.25  117.378  595.315   8.4037  592.848   14.610 2.466797 16.85478 
1 1 1    1    9   18 o  531.290   7.7829  1929.68   48.678  1945.09   56.415  1884.79   96.306  535.630   7.7722  526.949   13.487 8.680603 15.56579 
1 1 1    1    9   19 o  490.315   7.3390  1641.71   42.372  1653.10   49.100  1608.46   83.866  493.805   7.3374  486.826   12.713 6.978485 14.67805 
1 1 1    1    9   20 o  444.138   6.8579  1341.03   35.776  1344.22   41.355  1331.55   71.320  445.299   6.8532  442.977   11.881 2.322449 13.71580 
1 1 1    1    9   21 o  361.589   6.4771  897.258   29.997  920.193   37.083  853.840   51.023  368.411   7.4278  354.768   10.613 13.64240 12.95418 
1 1 1    1    9   23 o  529.291   8.1691  1871.56   54.741  1820.42   66.044  1983.80   97.845  518.061   9.4074  540.520   13.358 -22.45978 16.33824 
1 1 1    1    9   24 o  292.132   5.8827  582.501   21.990  590.373   27.068  567.223   37.710  295.096   6.7688  289.168   9.6232 5.927795 11.76534 
1 1 1    1    9   25 o  606.127   9.0720  2494.91   70.216  2495.35   85.965  2494.03  121.709  606.426   10.461  605.829   14.825 0.5974731 18.14392 
1 1 1    1    9   26 o  385.051   6.6959  1011.05   32.998  1021.97   40.599  989.786   56.639  388.211   7.7173  381.892   10.944 6.318909 13.39172 
1 1 1    1    9   27 o  245.347   4.5704  408.035   15.194  400.729   21.343  415.544   21.636  243.120   6.4781  247.574   6.4489 -4.453934 9.140776 
1 1 1    1    9   28 o  644.223   9.5395  2809.09   78.307  2850.45  136.810  2788.94   95.497  647.447   15.593  640.999   10.994 6.447876 19.07900 
1 1 1    1    9   29 o  395.013   6.8322  1057.56   34.386  1062.40   59.943  1055.19   41.980  395.588   11.182  394.438   7.8538 1.149658 13.66441 
1 1 1    1    9   30 o  147.769   4.5591  148.016   9.1230  140.401   12.787  155.911   13.020  143.898   6.5575  151.641   6.3357 -7.743500 9.118271 
1 1 1    1    9   31 o  371.724   7.6488  937.230   38.530   0.0000   0.0000  937.230   38.530  ?   ?   371.724   7.6488      ?      ? 
1 1 1    1    9   32 o  180.295   4.4618  220.435   10.899  226.030   15.441  214.879   15.386  182.577   6.2407  178.013   6.3783 4.563828 8.923521 
1 1 1    1    9   33 o  234.081   4.5535  371.604   14.443  373.868   20.352  369.306   20.500  234.801   6.3963  233.362   6.4826 1.439606 9.106958 
1 1 1    1    9   34 o  225.595   4.5722  345.115   13.975  335.657   19.654  354.788   19.876  222.468   6.5192  228.723   6.4125 -6.255478 9.144423 
1 1 1    1    9   35 o  330.568   7.2197  736.776   32.222  671.552   43.448  816.498   48.034  314.431   10.197  346.705   10.224 -32.27414 14.43941 
1 1 1    1    9   36 o  494.704   9.0820  1663.51   60.850  1740.55   87.587  1591.64   84.600  505.773   12.779  483.635   12.908 22.13840 18.16399 
1 1 1    1    9   37 o  319.145   5.0492  691.087   21.836  689.469   30.760  692.732   31.004  318.769   7.1207  319.520   7.1605 -0.7509766 10.09837 
1 1 1    1    9   38 o  353.595   5.2941  848.581   25.368  851.359   35.851  845.796   35.900  354.176   7.4697  353.015   7.5044 1.161713 10.58829 
1 1 1    1    9   40 o  252.438   4.6895  432.432   16.042  433.429   22.663  431.431   22.711  252.731   6.6171  252.146   6.6467 0.5846405 9.378927 
1 1 1    1    9   41 o  363.047   5.3508  894.913   26.324  893.691   37.168  896.143   37.289  362.799   7.5600  363.295   7.5742 -0.4959412 10.70151 
1 1 1    1    9   42 o  331.076   7.2740  744.210   32.635  744.210   32.635   0.0000   0.0000  331.076   7.2740  ?   ?       ?      ? 
1 1 1    1    9   43 o  287.027   6.8755  559.291   26.743  559.291   26.743   0.0000   0.0000  287.027   6.8755  ?   ?       ?      ? 
1 1 1    1    9   44 o  256.453   4.7345  446.446   16.453  442.796   23.110  450.198   23.428  255.392   6.6774  257.514   6.7136 -2.122818 9.468923 
1 1 1    1    9   45 o  245.536   4.6934  409.118   15.607  429.765   22.318  389.360   21.833  251.602   6.5459  239.469   6.7279 12.13235 9.386843 
1 1 1    1    9   46 f  225.533   6.4966  345.350   19.855  345.350   19.855   0.0000   0.0000  225.533   6.4966  ?   ?       ?      ? 
1 1 1    1    9   47 o  191.960   5.5273  246.694   13.558  261.657   23.799  239.505   16.496  196.112   8.9551  187.809   6.4816 8.302643 11.05464 
1 1 1    1    9   48 o   50.577   9.4716   16.845   6.3221   22.836   11.043   13.924   7.7108   56.657   14.363   44.497   12.351 12.16013 18.94311 
1 1 1    1    9   49 o  207.099   5.5934  295.503   14.853  304.124   18.404  279.396   25.155  211.614   6.4177  202.584   9.1629 9.029694 11.18687 
1 1 1    1    9   50 o  124.097   6.1079  110.023   9.5926  122.485   12.052   88.480   15.846  134.277   6.6233  113.918   10.264 20.35874 12.21585 
1 1 1    1    9   51 o  245.296   6.6921  408.832   22.245  408.832   22.245   0.0000   0.0000  245.296   6.6921  ?   ?       ?      ? 
1 1 1    1    9   52 o  212.977   4.6551  308.130   13.433  315.505   19.159  300.999   18.840  215.485   6.5609  210.469   6.6055 5.016037 9.310117 
1 1 1    1    9   53 o  226.338   5.8511  349.515   16.822  350.992   20.515  346.484   29.389  227.255   6.6617  225.421   9.6209 1.834442 11.70212 
1 1 1    1    9   54 o  248.475   9.7009  421.149   32.665   0.0000   0.0000  421.149   32.665  ?   ?   248.475   9.7009      ?      ? 
1 1 1    1    9   55 o  222.582   4.7114  336.272   14.180  306.463   19.665  368.564   20.467  212.303   6.8351  232.861   6.4861 -20.55879 9.422745 
1 1 1    1    9   56 o   87.211   8.0719   56.570   8.1480   44.092   14.684   62.120   9.7941   78.885   14.262   95.537   7.5650 -16.65257 16.14384 
1 1 1    1    9   57 o  151.434   6.0147  153.383   11.514  164.347   20.681  148.458   13.860  155.133   9.8375  147.734   6.9231 7.397980 12.02933 
1 1 1    1    9   58 o  126.325   5.1039  108.732   8.7267  103.970   12.447  113.338   12.239  123.585   7.4320  129.066   6.9975 -5.481613 10.20780 
1 1 1    1    9   59 o  252.334   4.8518  433.218   16.588  423.164   23.388  443.395   23.530  249.379   6.9208  255.289   6.8017 -5.910233 9.703600 
1 1 1    1    9   60 o  214.897   4.7609  314.283   13.854  299.160   19.512  329.661   19.676  209.664   6.8673  220.130   6.5957 -10.46600 9.521760 
1 1 1    1    9   61 o  241.347   4.8510  396.374   15.863  404.334   22.687  388.759   22.188  243.716   6.8694  238.979   6.8514 4.737106 9.702073 
1 1 1    1    9   62 o  237.912   4.8949  384.754   15.747  350.427   21.807  422.157   22.762  226.814   7.0948  249.011   6.7456 -22.19701 9.789721 
1 1 1    1    9   63 o  240.980   5.9295  389.178   18.263  418.954   32.132  374.967   22.197  247.367   9.5855  234.593   6.9823 12.77351 11.85892 
1 1 1    1    9   64 o   84.271   7.7260   47.459   8.4073   53.333   14.599   44.545   10.284   87.903   12.256   80.639   9.4106 7.263939 15.45206 
1 1 1    1    9   65 f  159.533   4.9390  173.510   10.669  183.361   15.263  164.096   14.920  163.977   6.8686  155.090   7.0992 8.886978 9.878080 
1 1 1    1    9   66 o  179.695   4.9020  219.683   11.866  188.178   16.312  255.090   17.292  165.994   7.2514  193.397   6.5981 -27.40298 9.803990 
1 1 1    1    9   67 o  136.851   6.2013  131.068   10.910  137.284   13.637  120.015   18.185  141.747   7.0993  131.954   10.170 9.792801 12.40262 
1 1 1    1    9   68 o   66.845   10.250   32.820   9.4317   17.726   13.336   47.925   13.341   50.661   16.724   83.030   11.857 -32.36896 20.50090 
1 1 1    1    9   69 o   67.483   9.8875   40.169   8.7088   53.434   10.590   12.453   15.307   88.096   8.8705   46.870   17.674 41.22591 19.77495 
1 1 1    1    9   70 o  102.676   5.7043   72.419   7.9330   69.680   11.028   75.357   11.420  100.663   8.0843  104.690   8.0499 -4.026703 11.40864 
1 1 1    1    9   71 o  136.489   5.1186  127.900   9.4673  128.367   13.396  127.433   13.382  136.740   7.2294  136.237   7.2481 0.5030670 10.23715 
1 1 1    1    9   72 o   99.765   5.8639   68.851   7.8847   60.102   11.043   77.949   11.261   93.184   8.7453  106.347   7.8140 -13.16347 11.72773 
1 1 1    1    9   73 o   48.594   10.091   17.887   7.1043   13.157   11.968   20.460   8.8279   44.516   15.807   52.673   12.547 -8.156803 20.18116 
1 1 1    1    9   74 o   87.830   6.0808   53.618   7.2342   55.622   10.263   51.640   10.199   89.496   8.4623   86.164   8.7345 3.331772 12.16150 
1 1 1    1    9   75 o   75.433   7.1431   40.815   6.8187   55.773   9.9473   27.557   9.3651   89.574   8.1948   61.291   11.702 28.28314 14.28625 
1 1 1    1    9   76 o   45.290   10.361   14.058   6.9471   19.195   12.061   11.508   8.4984   50.332   15.846   40.248   13.354 10.08404 20.72244 
1 1 1    1    9   77 o   62.884   10.967   31.243   9.3364   35.194   12.621   26.466   13.875   67.917   14.171   57.850   16.742 10.06641 21.93462 
1 1 1    1    9   78 o  100.365   8.2919   72.410   11.221   64.065   15.088   82.735   16.784   93.881   11.860  106.850   11.591 -12.96910 16.58373 
1 1 1    1    9   79 o   43.930   10.051   14.892   7.0002   9.4549   11.637   17.975   8.7628   39.495   15.280   48.365   13.063 -8.870152 20.10252 
1 1 1    1    9   80 o   70.386   9.1869   39.873   8.0068   29.685   13.172   45.844   10.084   60.592   15.858   80.180   9.2803 -19.58831 18.37385 
1 1 1    1    9   81 o   77.563   9.8768   45.531   10.041   35.663   13.321   58.512   15.279   66.757   15.081   88.369   12.759 -21.61124 19.75362 
1 1 1    1    9   82 o   42.743   11.458   12.140   8.8385   9.4407   11.039   16.961   14.752   38.507   14.886   46.980   17.422 -8.472382 22.91588 
1 1 1    1    9   83 o   49.100   15.495   19.638   11.526   19.638   11.526   0.0000   0.0000   49.100   15.495  ?   ?       ?      ? 
1 1 1    1    9   84 o   50.267   11.362   18.831   9.0266   10.354   11.569   32.022   14.431   39.353   15.232   61.181   16.864 -21.82790 22.72468 
1 1 1    1    9   85 f   57.111   11.720   28.156   9.5493   29.070   12.320   26.780   15.114   59.081   15.275   55.141   17.780 3.940086 23.44021 
1 1 1    1    9   86 o   48.348   11.738   18.579   9.2776   12.959   11.944   27.128   14.732   41.489   15.619   55.207   17.527 -13.71849 23.47653 
1 1 1    1    9   87 o   75.454   16.217   48.915   16.088   0.0000   0.0000   48.915   16.088  ?   ?    75.454   16.217      ?      ? 
1 1 1    1    9   88 o   43.740   16.879   15.710   14.173   0.0000   0.0000   15.710   14.173  ?   ?    43.740   16.879      ?      ? 
1 1 1    1    9   89 o   37.056   10.829   8.0014   8.9934   3.1614   12.450   13.284   13.006   33.181   14.526   40.932   16.064 -7.750931 21.65803 
1 1 1    1    9   90 o   38.288   11.021   9.3966   9.3777   17.630   13.493   1.7036   13.043   44.143   16.604   32.434   14.498 11.70868 22.04273 
1 1 1    1    9   91 o   35.202   10.554   6.1604   9.1280   13.894   12.877  -1.6504   12.941   40.244   15.924   30.160   13.855 10.08384 21.10746 
1 1 1    1    9   92 o   41.403   11.276   14.799   9.6322   24.949   13.634   4.6839   13.610   49.251   16.914   33.555   14.917 15.69609 22.55258 
1 1 1    1    9   93 o   35.855   10.415   5.4129   9.4692   22.423   13.413 -11.4873   13.370   45.934   16.681   25.777   12.476 20.15720 20.83057 
1 1 1    1   10    0 f  221.529   4.4640  332.821   13.391  338.326   18.682  327.003   19.206  223.416   6.1704  219.642   6.4526 3.774078 8.928037 
1 1 1    1   10    1 o  391.823   6.7102  1027.12   33.621  1082.98   58.863  1000.07   40.960  399.573   10.871  384.073   7.8698 15.50009 13.42045 
1 1 1    1   10    2 o  532.621   9.5066  1921.67   68.545  1842.92   94.360  2009.65   99.738  521.096   13.363  544.145   13.526 -23.04944 19.01329 
1 1 1    1   10    3 o  437.613   5.9314  1298.67   35.168  1323.45   49.616  1273.65   49.855  441.812   8.2870  433.413   8.4883 8.398834 11.86277 
1 1 1    1   10    4 o  527.451   8.1994  1880.66   55.052  1867.88   67.075  1907.03   96.367  524.828   9.4310  530.074   13.416 -5.245728 16.39884 
1 1 1    1   10    5 f  621.871   10.703  2621.00   90.108  2757.97  130.794  2497.25  124.317  637.305   15.145  606.436   15.127 30.86902 21.40548 
1 1 1    1   10    6 o  453.595   8.5307  1394.44   52.402  1352.97   72.518  1439.76   75.807  446.551   11.984  460.640   12.144 -14.08994 17.06134 
1 1 1    1   10    7 o  442.033   8.3878  1321.23   50.155  1248.13   68.507  1405.66   73.629  428.906   11.787  455.161   11.937 -26.25531 16.77568 
1 1 1    1   10    8 o  446.884   7.3287  1369.10   42.318  1305.33   70.701  1404.70   52.825  438.613   11.895  455.154   8.5645 -16.54141 14.65742 
1 1 1    1   10    9 o  312.095   6.0283  660.375   24.282  660.699   41.189  660.203   30.061  312.119   9.7382  312.071   7.1084 0.4809570E-01 12.05666 
1 1 1    1   10   10 o  213.190   5.4571  311.463   15.104  296.263   24.956  320.250   18.974  209.021   8.8104  217.359   6.4417 -8.337234 10.91417 
1 1 1    1   10   11 o  275.252   6.6794  513.868   24.901  515.070   34.673  512.586   35.785  275.589   9.2842  274.915   9.6054 0.6739807 13.35890 
1 1 1    1   10   12 f  380.156   6.7209  991.824   32.619  1016.17   40.181  944.774   55.861  387.143   7.6590  373.169   11.046 13.97314 13.44188 
1 1 1    1   10   13 o  470.273   7.5797  1497.00   45.341  1490.65   55.239  1510.11   79.381  468.849   8.6942  471.698   12.419 -2.848907 15.15946 
1 1 1    1   10   14 o  417.692   7.0716  1197.57   37.826  1228.23   46.754  1139.48   64.357  425.603   8.1065  409.781   11.589 15.82257 14.14322 
1 1 1    1   10   15 o  421.428   7.0709  1206.39   38.014  1209.60   46.521  1199.92   65.945  422.357   8.1281  420.499   11.573 1.858093 14.14190 
1 1 1    1   10   16 o  519.166   8.0944  1821.91   53.473  1808.34   65.118  1850.00   93.700  516.347   9.3063  521.985   13.246 -5.638306 16.18872 
1 1 1    1   10   17 o  528.451   8.1962  1885.54   55.098  1867.28   67.042  1923.53   96.711  524.677   9.4292  532.225   13.409 -7.548096 16.39247 
1 1 1    1   10   18 o  304.631   6.0151  629.384   23.389  629.430   28.621  629.292   40.581  304.695   6.9317  304.567   9.8323 0.1272888 12.03010 
1 1 1    1   10   19 o  325.077   6.3188  731.582   26.515  769.658   33.312  665.753   43.801  336.915   7.2962  313.239   10.319 23.67606 12.63760 
1 1 1    1   10   20 f  811.539   10.908  4467.18  103.645  4457.68  119.498  4496.05  208.240  810.456   10.880  812.621   18.910 -2.165222 21.81688 
1 1 1    1   10   21 f  697.815   9.6440  3356.17   79.737  3409.20   92.920  3208.02  155.298  708.872   9.6729  686.757   16.687 22.11487 19.28790 
1 1 1    1   10   22 o  379.317   6.3761  997.477   28.688  1021.60   33.523  931.464   55.450  388.185   6.3727  370.449   11.046 17.73611 12.75217 
1 1 1    1   10   23 o  616.776   9.2912  2622.13   73.973  2716.01   92.501  2455.58  123.206  632.574   10.791  600.977   15.128 31.59656 18.58248 
1 1 1    1   10   24 o  445.665   7.3582  1346.74   41.972  1344.05   51.477  1352.07   72.495  445.126   8.5339  446.204   11.989 -1.077667 14.71633 
1 1 1    1   10   25 o  329.811   6.3065  749.269   26.637  702.656   45.133  774.184   32.997  321.744   10.351  337.878   7.2066 -16.13370 12.61297 
1 1 1    1   10   26 o  339.813   7.3003  783.136   33.618  783.136   33.618   0.0000   0.0000  339.813   7.3003  ?   ?       ?      ? 
1 1 1    1   10   27 o  408.277   5.6722  1130.73   31.381  1124.81   44.135  1136.79   44.628  407.197   7.9983  409.358   8.0450 -2.160919 11.34438 
1 1 1    1   10   28 o  205.310   4.5196  285.395   12.558  265.329   17.418  307.116   18.122  197.804   6.4978  212.817   6.2837 -15.01257 9.039180 
1 1 1    1   10   29 o  257.383   4.6678  449.226   16.280  444.857   22.867  453.716   23.182  256.115   6.5887  258.652   6.6138 -2.536835 9.335619 
1 1 1    1   10   30 o  221.303   4.5361  332.157   13.603  337.052   19.249  327.274   19.225  222.932   6.3718  219.673   6.4580 3.259933 9.072246 
1 1 1    1   10   31 o  286.812   6.8055  558.066   26.400  607.706   37.965  511.586   36.737  299.166   9.3645  274.457   9.8775 24.70963 13.61095 
1 1 1    1   10   32 o  337.740   7.2737  773.502   33.255  742.691   45.761  807.984   48.410  330.633   10.213  344.847   10.359 -14.21426 14.54730 
1 1 1    1   10   33 o  198.232   5.3408  261.385   13.704  284.264   23.539  249.655   16.855  204.623   8.4889  191.842   6.4833 12.78117 10.68154 
1 1 1    1   10   34 o  109.513   4.9037   81.415   7.2601   88.798   10.355   74.278   10.181  114.404   6.6795  104.622   7.1812 9.781464 9.807418 
1 1 1    1   10   35 o  257.959   6.6666  451.500   23.304   0.0000   0.0000  451.500   23.304  ?   ?   257.959   6.6666      ?      ? 
1 1 1    1   10   36 o  311.741   5.0007  659.227   21.120  642.389   29.479  676.985   30.273  307.654   7.0707  315.829   7.0733 -8.175568 10.00135 
1 1 1    1   10   37 o  428.384   8.2825  1246.43   48.081  1246.43   48.081   0.0000   0.0000  428.384   8.2825  ?   ?       ?      ? 
1 1 1    1   10   38 o  217.078   4.5598  319.672   13.409  308.329   18.787  331.451   19.145  213.151   6.5041  221.005   6.3924 -7.853531 9.119535 
1 1 1    1   10   39 o  242.365   4.6598  398.691   15.304  397.267   21.643  400.115   21.644  241.931   6.6016  242.798   6.5781 -0.8671570 9.319531 
1 1 1    1   10   40 f  268.261   6.7626  488.532   24.584   0.0000   0.0000  488.532   24.584  ?   ?   268.261   6.7626      ?      ? 
1 1 1    1   10   41 o  184.915   4.5655  232.076   11.439  226.079   16.083  238.215   16.272  182.495   6.5032  187.335   6.4097 -4.838928 9.131088 
1 1 1    1   10   42 o  289.844   6.9494  570.489   27.296   0.0000   0.0000  570.489   27.296  ?   ?   289.844   6.9494      ?      ? 
1 1 1    1   10   43 o  253.330   6.6980  435.782   22.994   0.0000   0.0000  435.782   22.994  ?   ?   253.330   6.6980      ?      ? 
1 1 1    1   10   44 o  134.310   5.9912  124.729   10.149  116.939   17.709  128.538   12.384  131.041   9.9727  137.579   6.6426 -6.538437 11.98243 
1 1 1    1   10   45 o  246.064   5.7529  406.233   17.989  427.385   31.862  396.335   21.796  250.560   9.3837  241.568   6.6580 8.991837 11.50582 
1 1 1    1   10   46 o  182.563   4.5515  226.355   11.260  224.757   15.916  227.955   15.932  181.917   6.4564  183.209   6.4171 -1.292328 9.103012 
1 1 1    1   10   47 o  143.655   4.7320  139.950   9.1792  124.262   12.704  157.091   13.278  135.232   6.9321  152.079   6.4430 -16.84712 9.463943 
1 1 1    1   10   48 o  168.856   5.6956  200.560   12.309  217.021   15.472  172.170   20.319  178.743   6.3875  158.970   9.4318 19.77315 11.39123 
1 1 1    1   10   49 o  125.686   4.9696  107.185   8.4284   94.114   11.656  121.510   12.202  117.653   7.3107  133.720   6.7337 -16.06649 9.939243 
1 1 1    1   10   50 o  176.885   5.6338  204.564   12.671  190.238   15.223  236.883   22.864  167.307   6.7144  186.464   9.0485 -19.15733 11.26756 
1 1 1    1   10   51 o  200.480   5.7514  274.107   14.676  275.094   17.928  272.102   25.550  201.189   6.5757  199.771   9.4380 1.418167 11.50283 
1 1 1    1   10   52 o  201.033   4.6909  274.199   12.743  246.306   17.634  304.679   18.434  190.334   6.8369  211.733   6.4246 -21.39842 9.381855 
1 1 1    1   10   53 o  112.694   5.2223   86.477   7.9688   83.413   11.349   89.457   11.192  110.712   7.5643  114.675   7.2021 -3.963928 10.44454 
1 1 1    1   10   54 o   67.401   7.5389   31.801   6.6575   27.983   9.6642   35.249   9.1844   62.929   11.765   71.873   9.4298 -8.943802 15.07780 
1 1 1    1   10   55 o  351.487   6.6363  838.674   29.721  856.459   51.984  830.037   36.225  353.815   10.842  349.158   7.6560 4.657013 13.27268 
1 1 1    1   10   56 o  340.536   7.7309  789.776   35.676  789.776   35.676   0.0000   0.0000  340.536   7.7309  ?   ?       ?      ? 
1 1 1    1   10   57 o  291.885   7.2359  579.983   28.621  579.983   28.621   0.0000   0.0000  291.885   7.2359  ?   ?       ?      ? 
1 1 1    1   10   58 o  128.261   5.1845  112.228   8.9936  107.984   12.971  116.157   12.481  125.898   7.6028  130.625   7.0507 -4.727394 10.36896 
1 1 1    1   10   59 o   57.674   8.4690   24.149   6.5288   14.917   9.4248   32.666   9.0528   46.237   13.909   69.110   9.6662 -22.87267 16.93794 
1 1 1    1   10   60 o  106.096   5.6587   76.601   8.1242   82.351   11.809   71.433   11.195  109.874   7.9310  102.319   8.0736 7.555061 11.31744 
1 1 1    1   10   61 o  139.938   6.3263  137.705   11.205  122.754   19.123  145.522   13.828  133.738   10.551  146.138   6.9824 -12.40001 12.65250 
1 1 1    1   10   62 o  175.732   4.9142  210.361   11.698  216.606   16.831  204.524   16.271  178.251   6.9676  173.214   6.9319 5.037201 9.828452 
1 1 1    1   10   63 f  113.281   5.5332   87.362   8.4612   98.863   12.345   77.173   11.620  120.316   7.5717  106.245   8.0705 14.07177 11.06631 
1 1 1    1   10   64 o  120.475   7.6589   99.482   12.431  115.772   18.310   85.552   16.932  129.646   10.422  111.303   11.226 18.34304 15.31774 
1 1 1    1   10   65 o  146.286   5.2326  146.902   10.285  124.039   14.441  170.434   14.651  134.594   7.9175  157.979   6.8435 -23.38416 10.46520 
1 1 1    1   10   66 o  150.258   7.2060  154.451   14.673  154.451   14.673   0.0000   0.0000  150.258   7.2060  ?   ?       ?      ? 
1 1 1    1   10   67 o  135.448   6.7153  130.993   11.410  139.557   14.020  114.193   19.636  142.748   7.2476  128.149   11.307 14.59908 13.43050 
1 1 1    1   10   68 o   66.394   7.4586   30.620   6.7041   30.712   9.7041   30.536   9.2726   66.454   10.776   66.334   10.315 0.1201096 14.91713 
1 1 1    1   10   69 o   66.686   7.5678   31.562   6.6448   28.325   9.5065   34.654   9.2915   62.689   11.618   70.682   9.7004 -7.993916 15.13557 
1 1 1    1   10   70 o  154.790   4.9556  164.515   10.361  147.420   14.442  182.649   14.874  146.423   7.2783  163.156   6.7274 -16.73262 9.911160 
1 1 1    1   10   71 o   72.917   6.9822   37.525   6.7910   30.408   9.6742   44.439   9.5352   65.801   10.849   80.032   8.7919 -14.23093 13.96441 
1 1 1    1   10   72 o   66.556   9.0530   31.230   7.5241   35.281   13.358   29.347   9.1061   68.489   14.822   64.624   10.398 3.865326 18.10603 
1 1 1    1   10   73 o   91.987   7.3401   60.065   8.6162   58.428   14.780   60.908   10.605   90.396   12.065   93.577   8.3625 -3.181114 14.68019 
1 1 1    1   10   74 o  123.832   6.6645  111.005   10.446   97.680   17.673  118.160   12.951  117.063   11.141  130.600   7.3178 -13.53646 13.32907 
1 1 1    1   10   75 o  100.092   7.4637   75.920   9.3009   56.756   15.273   87.216   11.726   88.263   12.769  111.922   7.7312 -23.65882 14.92748 
1 1 1    1   10   76 o   60.605   9.5236   28.227   7.3916   27.049   12.305   28.892   9.2455   58.709   15.309   62.502   11.333 -3.792732 19.04723 
1 1 1    1   10   77 o   72.444   8.7408   38.617   8.0155   40.527   13.469   37.570   9.9737   72.465   14.224   72.424   10.162 0.4101563E-01 17.48152 
1 1 1    1   10   78 o   70.637   8.7645   36.958   7.8649   38.882   13.140   35.883   9.8178   70.688   14.210   70.586   10.264 0.1020584 17.52908 
1 1 1    1   10   79 o  133.079   7.4578  127.954   13.419  118.246   18.311  139.219   19.724  127.615   10.588  138.542   10.506 -10.92785 14.91570 
1 1 1    1   10   80 o   45.712   11.424   14.900   8.9448   9.1226   11.708   23.000   13.863   38.736   15.229   52.688   17.032 -13.95179 22.84739 
1 1 1    1   10   81 o   35.534   10.456   4.8157   8.1590   2.3254   10.436   8.7307   13.085   31.852   13.619   39.216   15.869 -7.363420 20.91149 
1 1 1    1   10   82 o   28.820   12.707  -0.4206   9.6801  -0.4206   9.6801   0.0000   0.0000   28.820   12.707  ?   ?       ?      ? 
1 1 1    1   10   83 o   50.133   11.600   18.734   9.1266   11.296   11.445   31.723   15.125   40.042   15.238   60.224   17.495 -20.18249 23.20044 
1 1 1    1   10   84 o   44.748   11.413   15.094   8.7409   11.013   11.165   21.557   14.049   39.421   15.039   50.075   17.172 -10.65342 22.82623 
1 1 1    1   10   85 o   43.697   11.162   13.720   8.6388   7.1837   11.176   23.421   13.616   35.782   14.597   51.611   16.892 -15.82878 22.32495 
1 1 1    1   10   86 o   32.348   10.056   1.2381   8.4407  -1.6738   11.112   5.2092   12.977   29.263   13.206   35.433   15.169 -6.169807 20.11199 
1 1 1    1   10   87 o   40.522   16.514   11.911   14.287   0.0000   0.0000   11.911   14.287  ?   ?    40.522   16.514      ?      ? 
1 1 1    1   10   88 o   35.438   10.628   6.6643   8.9160   8.9199   12.265   4.1362   12.984   36.856   15.192   34.019   14.866 2.837376 21.25516 
1 1 1    1   10   89 o   34.677   10.528   5.5574   9.0325   0.6058   12.569   10.845   12.989   31.197   14.065   38.157   15.670 -6.959606 21.05628 
1 1 1    1   10   90 o   32.454   10.218   3.1395   9.0893   4.9190   12.824   1.3429   12.885   33.465   14.695   31.443   14.202 2.022499 20.43599 
1 1 1    1   10   91 o   34.065   10.455   6.0472   9.1879   12.128   12.951  -0.1140   13.037   37.803   15.600   30.328   13.923 7.474096 20.90946 
1 1 1    1   11    0 o  396.028   6.8878  1063.56   34.596  1062.91   42.071  1064.94   60.800  395.920   7.8413  396.136   11.326 -0.2161865 13.77551 
1 1 1    1   11    1 o  427.987   5.8583  1240.94   33.955  1209.50   47.001  1275.27   49.107  422.325   8.2125  433.649   8.3565 -11.32404 11.71651 
1 1 1    1   11    2 o  480.110   6.2970  1563.44   40.966  1573.48   57.740  1553.26   58.132  481.665   8.8461  478.554   8.9641 3.111115 12.59393 
1 1 1    1   11    3 o  453.564   6.0764  1394.22   37.331  1364.99   51.854  1425.67   53.789  448.636   8.5291  458.492   8.6572 -9.856537 12.15284 
1 1 1    1   11    4 o  413.642   5.7459  1159.86   32.198  1144.92   44.866  1175.72   46.234  410.900   8.0575  416.384   8.1937 -5.484680 11.49176 
1 1 1    1   11    5 o  391.617   5.5720  1039.92   29.565  1037.93   41.405  1041.98   42.230  391.238   7.8095  391.996   7.9499 -0.7573853 11.14404 
1 1 1    1   11    6 o  368.016   6.5873  910.819   31.043  942.565   53.963  895.117   37.952  372.704   10.684  363.328   7.7081 9.375427 13.17463 
1 1 1    1   11    7 o  350.123   7.4493  831.815   35.341  833.370   49.682  830.221   50.283  350.458   10.461  349.788   10.608 0.6697083 14.89861 
1 1 1    1   11    8 o  238.347   5.6408  374.976   16.956  358.383   20.315  413.084   30.788  229.920   6.5202  246.775   9.2065 -16.85519 11.28152 
1 1 1    1   11    9 o  296.393   4.9223  594.661   19.751  574.710   27.203  616.905   28.723  291.146   6.8948  301.641   7.0269 -10.49493 9.844554 
1 1 1    1   11   10 o  432.739   5.9072  1269.22   34.627  1243.29   48.127  1297.06   49.858  428.161   8.2947  437.316   8.4131 -9.154999 11.81447 
1 1 1    1   11   11 o  321.225   5.0944  698.628   22.157  675.355   30.573  724.375   32.157  315.600   7.1485  326.850   7.2601 -11.24963 10.18872 
1 1 1    1   11   12 o  379.520   6.3820  983.412   28.313  989.727   32.684  964.426   56.670  382.086   6.3124  376.953   11.094 5.133148 12.76408 
1 1 1    1   11   13 o  312.812   5.8120  658.104   21.157  652.911   24.284  674.463   43.102  310.348   5.7741  315.276   10.089 -4.928375 11.62407 
1 1 1    1   11   14 o  369.285   6.2246  911.267   26.745  898.513   30.650  951.966   54.752  364.054   6.2127  374.517   10.788 -10.46292 12.44913 
1 1 1    1   11   15 o  384.688   6.7468  989.129   32.929  962.766   39.813  1046.22   58.589  376.780   7.7974  392.595   11.013 -15.81500 13.49357 
1 1 1    1   11   16 o  272.126   5.5585  509.775   17.766  517.605   20.604  487.085   35.073  276.326   5.5025  267.926   9.6599 8.399933 11.11710 
1 1 1    1   11   17 o  270.869   5.9502  506.116   20.648  524.990   25.617  471.111   34.887  278.253   6.7936  263.485   9.7706 14.76770 11.90034 
1 1 1    1   11   18 o  279.401   5.9131  525.198   21.118  516.682   25.776  542.583   36.830  276.036   6.8907  282.765   9.6114 -6.729553 11.82627 
1 1 1    1   11   19 o  185.780   5.6498  238.143   13.461  247.317   16.724  221.266   22.683  190.983   6.4620  180.577   9.2694 10.40649 11.29950 
1 1 1    1   11   20 o  324.973   6.2982  720.245   26.223  728.005   32.299  705.239   44.916  327.631   7.2748  322.314   10.283 5.316254 12.59648 
1 1 1    1   11   21 o  230.624   5.3638  365.125   14.581  369.721   16.930  351.923   28.694  233.531   5.3496  227.717   9.2986 5.813934 10.72760 
1 1 1    1   11   22 o  310.978   5.7927  659.403   21.167  662.743   24.490  649.538   42.085  312.646   5.7803  309.310   10.040 3.335938 11.58540 
1 1 1    1   11   23 o   88.406   6.3055   52.172   6.7412   51.147   7.8772   54.976   13.031   86.843   6.6935   89.969   10.688 -3.126640 12.61092 
1 1 1    1   11   24 o  261.166   5.7968  464.292   19.395  467.355   23.862  458.329   33.294  262.502   6.7080  259.829   9.4559 2.673462 11.59354 
1 1 1    1   11   25 o  335.767   10.344  765.777   47.068   0.0000   0.0000  765.777   47.068  ?   ?   335.767   10.344      ?      ? 
1 1 1    1   11   26 o  460.775   7.5890  1464.60   45.020  1517.10   56.131  1369.93   75.378  472.742   8.7618  448.807   12.394 23.93552 15.17803 
1 1 1    1   11   27 f  344.391   7.4358  804.776   34.703  804.776   34.703   0.0000   0.0000  344.391   7.4358  ?   ?       ?      ? 
1 1 1    1   11   28 o  476.070   12.426  1542.14   80.165  1542.14   80.165   0.0000   0.0000  476.070   12.426  ?   ?       ?      ? 
1 1 1    1   11   29 o  333.783   5.1565  755.771   23.316  783.604   33.295  728.985   32.663  339.816   7.2303  327.751   7.3540 12.06546 10.31305 
1 1 1    1   11   30 o  367.851   5.3814  918.010   26.819  896.730   37.425  940.471   38.450  363.473   7.5982  372.230   7.6225 -8.757111 10.76270 
1 1 1    1   11   31 o  230.372   4.5940  359.980   14.332  378.405   20.457  342.216   20.086  236.165   6.3921  224.579   6.6000 11.58650 9.187993 
1 1 1    1   11   32 o  412.416   8.1557  1155.06   45.580   0.0000   0.0000  1155.06   45.580  ?   ?   412.416   8.1557      ?      ? 
1 1 1    1   11   33 o  346.015   5.2365  812.742   24.552  826.157   34.899  799.595   34.548  348.844   7.3824  343.186   7.4287 5.657806 10.47310 
1 1 1    1   11   34 o  172.477   4.5387  201.797   10.597  188.933   14.820  215.253   15.157  166.850   6.5546  178.105   6.2799 -11.25478 9.077472 
1 1 1    1   11   35 o  158.248   4.5361  169.923   9.7246  175.896   13.850  164.116   13.657  160.993   6.3485  155.503   6.4809 5.489700 9.072217 
1 1 1    1   11   36 o  143.262   4.5837  139.280   8.8978  141.232   12.697  137.396   12.473  144.248   6.4953  142.277   6.4693 1.971100 9.167393 
1 1 1    1   11   37 o  219.575   6.5159  327.280   19.388  327.280   19.388   0.0000   0.0000  219.575   6.5159  ?   ?       ?      ? 
1 1 1    1   11   39 o  372.676   5.4937  941.318   27.707  1007.96   40.318  881.682   38.139  385.149   7.7248  360.204   7.8134 24.94525 10.98730 
1 1 1    1   11   40 o  348.159   6.4923  805.613   28.553  877.401   51.546  773.834   34.296  358.845   10.600  337.473   7.4992 21.37277 12.98458 
1 1 1    1   11   41 o  224.600   5.7184  332.048   16.186  372.500   29.535  314.685   19.350  233.939   9.3165  215.260   6.6333 18.67964 11.43673 
1 1 1    1   11   42 o  146.742   4.6909  146.157   9.3248  151.302   13.374  141.290   13.008  149.254   6.6123  144.229   6.6554 5.025024 9.381746 
1 1 1    1   11   43 o  207.591   4.6069  292.698   12.960  292.998   18.374  292.401   18.283  207.696   6.5280  207.486   6.5023 0.2096863 9.213890 
1 1 1    1   11   44 o   97.762   5.4263   64.944   7.1855   67.783   10.296   62.248   10.032   99.847   7.6097   95.678   7.7377 4.168770 10.85263 
1 1 1    1   11   45 o  234.871   5.7737  380.149   17.419  391.158   21.623  359.803   29.397  239.939   6.6503  229.802   9.4400 10.13795 11.54731 
1 1 1    1   11   46 o  252.792   5.7839  431.418   18.750  424.362   22.966  445.525   32.471  249.887   6.7820  255.696   9.3711 -5.808792 11.56781 
1 1 1    1   11   47 o  182.010   5.8362  226.809   13.465  229.270   16.416  221.751   23.536  183.679   6.5953  180.342   9.6306 3.336716 11.67245 
1 1 1    1   11   48 o  314.323   6.2655  664.352   25.050  648.267   30.381  698.509   44.273  308.741   7.2615  319.904   10.213 -11.16199 12.53102 
1 1 1    1   11   49 o  325.425   5.2118  720.411   22.983  714.721   32.460  726.132   32.547  324.133   7.3900  326.717   7.3512 -2.584106 10.42362 
1 1 1    1   11   50 o  160.893   4.8023  175.836   10.462  185.900   15.040  166.400   14.563  165.355   6.7119  156.430   6.8700 8.925522 9.604569 
1 1 1    1   11   51 o  173.033   4.7891  203.798   11.201  185.939   15.752  222.066   15.931  165.333   7.0307  180.733   6.5047 -15.39995 9.578172 
1 1 1    1   11   52 o  248.869   4.8784  420.936   16.445  435.247   23.668  407.577   22.868  252.955   6.9045  244.784   6.8938 8.171051 9.756855 
1 1 1    1   11   53 o  145.420   6.3371  150.809   11.490  126.460   19.794  163.182   14.111  135.949   10.744  154.891   6.7226 -18.94202 12.67416 
1 1 1    1   11   54 o  151.929   6.0325  156.010   11.583  161.290   20.642  153.584   13.994  153.617   9.9159  150.241   6.8732 3.376389 12.06504 
1 1 1    1   11   55 o  120.356   5.3545   99.442   8.6490   84.556   12.329  113.866   12.136  111.366   8.1696  129.346   6.9238 -17.98051 10.70895 
1 1 1    1   11   56 o  102.982   5.7343   72.582   7.9675   68.870   11.637   75.857   10.932  100.458   8.5481  105.506   7.6459 -5.048454 11.46865 
1 1 1    1   11   57 o   96.011   6.0496   63.184   7.8227   60.368   11.569   65.556   10.618   93.986   9.0837   98.036   7.9923 -4.049667 12.09918 
1 1 1    1   11   58 o  243.372   6.0639  407.083   18.730  397.522   32.636  411.779   22.871  240.871   9.9984  245.874   6.8642 -5.002457 12.12789 
1 1 1    1   11   59 o   80.191   6.8356   43.785   7.3970   49.818   10.915   38.661   10.059   85.288   9.4439   75.095   9.8850 10.19289 13.67116 
1 1 1    1   11   60 o  118.257   7.6612   95.865   12.253  102.067   18.036   90.550   16.698  121.780   10.929  114.735   10.739 7.045242 15.32249 
1 1 1    1   11   61 o   91.629   6.3594   58.944   7.6850   45.143   11.153   71.419   10.604   81.023   10.158  102.235   7.6538 -21.21198 12.71882 
1 1 1    1   11   62 o   64.392   8.2490   30.812   6.7877   17.880   9.8058   42.708   9.4053   49.874   13.958   78.910   8.7954 -29.03677 16.49809 
1 1 1    1   11   63 o  154.247   6.1424  162.821   12.242  161.655   15.159  165.008   20.757  153.754   7.2752  154.740   9.8989 -0.9863586 12.28486 
1 1 1    1   11   64 o  177.899   6.0399  213.451   13.860  204.897   17.003  230.392   23.928  173.027   7.2517  182.771   9.6610 -9.744171 12.07983 
1 1 1    1   11   65 o  118.938   6.7281  101.150   10.264  110.595   12.995   85.485   16.736  126.996   7.5508  110.879   11.138 16.11675 13.45617 
1 1 1    1   11   66 o   96.058   6.8714   60.733   8.6872   51.178   10.821   78.054   14.570   86.049   9.2799  106.067   10.136 -20.01736 13.74283 
1 1 1    1   11   67 o   75.267   6.6468   39.220   6.7728   40.086   9.8378   38.440   9.3381   76.029   9.5485   74.504   9.2490 1.524551 13.29352 
1 1 1    1   11   68 o   95.282   5.8770   62.449   7.5351   73.439   11.032   52.839   10.316  103.198   7.8889   87.367   8.7134 15.83020 11.75409 
1 1 1    1   11   69 o   72.683   6.8213   36.908   6.7054   35.391   9.6498   38.324   9.3243   71.157   10.007   74.208   9.2722 -3.050972 13.64256 
1 1 1    1   11   70 o   77.997   6.6789   42.244   6.9498   53.198   10.260   32.956   9.4473   87.475   8.6551   68.519   10.175 18.95680 13.35787 
1 1 1    1   11   71 o   77.110   9.0013   47.775   8.1210   32.247   13.962   55.714   9.9836   64.696   16.012   89.524   8.2293 -24.82790 18.00262 
1 1 1    1   11   72 o   47.346   12.874   16.798   8.4775   0.0000   0.0000   16.798   8.4775  ?   ?    47.346   12.874      ?      ? 
1 1 1    1   11   73 o  126.055   6.4102  110.076   10.355  117.041   18.026  106.646   12.650  128.273   10.370  123.838   7.5380 4.435486 12.82032 
1 1 1    1   11   74 o   67.017   9.5478   39.044   7.9736   20.034   13.782   48.610   9.7759   50.907   17.010   83.126   8.6784 -32.21861 19.09563 
1 1 1    1   11   75 o   50.808   10.348   19.283   7.1329   22.999   12.678   17.562   8.6280   53.736   16.125   47.881   12.974 5.854748 20.69618 
1 1 1    1   11   76 o   60.057   8.9974   32.389   7.8980   6.5213   12.885   47.957   9.9960   37.934   15.596   82.180   8.9758 -44.24572 17.99475 
1 1 1    1   11   77 o   88.055   9.4874   57.498   10.754   41.964   14.157   78.693   16.536   72.831   14.847  103.279   11.815 -30.44832 18.97486 
1 1 1    1   11   78 o   70.988   10.588   39.375   9.8135   32.236   12.900   49.184   15.120   63.130   15.250   78.847   14.691 -15.71754 21.17525 
1 1 1    1   11   79 o   55.408   10.970   25.941   9.1192   34.283   12.191   15.345   13.740   65.701   14.114   45.115   16.797 20.58581 21.93976 
1 1 1    1   11   80 o   51.553   11.624   22.317   9.1571   23.561   12.041   20.610   14.103   53.305   15.645   49.801   17.197 3.504539 23.24879 
1 1 1    1   11   81 o   40.789   15.011   12.286   10.913   12.286   10.913   0.0000   0.0000   40.789   15.011  ?   ?       ?      ? 
1 1 1    1   11   82 o   55.559   15.651   26.088   12.287   26.088   12.287   0.0000   0.0000   55.559   15.651  ?   ?       ?      ? 
1 1 1    1   11   83 o   42.363   11.279   13.525   8.5935   12.177   10.859   15.786   14.057   40.220   14.941   44.506   16.900 -4.286358 22.55723 
1 1 1    1   11   84 o   51.339   10.744   16.721   9.3563   0.8099   11.771   44.027   15.420   31.544   13.955   71.135   16.340 -39.59145 21.48785 
1 1 1    1   11   85 o   40.482   11.251   10.132   9.0151   3.6744   11.363   21.099   14.809   32.778   14.116   48.187   17.523 -15.40955 22.50213 
1 1 1    1   11   86 o   56.052   17.973   30.622   15.461   0.0000   0.0000   30.622   15.461  ?   ?    56.052   17.973      ?      ? 
1 1 1    1   11   87 o   36.542   15.618   7.8488   13.717   0.0000   0.0000   7.8488   13.717  ?   ?    36.542   15.618      ?      ? 
1 1 1    1   11   88 o   36.219   10.418   6.8110   8.9063   18.580   12.555  -5.1117   12.636   44.283   16.130   28.155   13.190 16.12814 20.83640 
1 1 1    1   11   89 o   30.052   9.7682  -1.1657   9.1372  -4.7949   12.602   2.8576   13.268   27.895   13.101   32.209   14.492 -4.313478 19.53640 
1 1 1    1   11   90 o   34.969   10.683   7.3709   9.5214   0.1497   13.139   15.357   13.817   30.189   13.903   39.749   16.224 -9.559904 21.36600 
1 1 1    1   12    0 o  174.150   4.5769  205.310   10.778  200.927   14.706  210.397   15.843  172.148   6.3040  176.152   6.6371 -4.003769 9.153713 
1 1 1    1   12    1 o  400.820   5.6788  1089.55   30.834  1131.20   43.896  1049.00   43.321  408.384   7.9318  393.257   8.1290 15.12778 11.35760 
1 1 1    1   12    2 f  515.836   6.6402  1803.89   46.389  1760.13   64.264  1851.51   67.032  509.315   9.3110  522.356   9.4696 -13.04025 13.28034 
1 1 1    1   12    3 o  226.509   4.6743  347.455   14.330  339.778   19.694  356.093   20.890  223.857   6.4922  229.162   6.7268 -5.305649 9.348670 
1 1 1    1   12    4 o  402.230   5.6965  1097.49   31.047  1102.52   43.639  1092.33   44.179  403.168   7.9874  401.293   8.1241 1.874847 11.39296 
1 1 1    1   12    5 o  749.009   8.8541  3809.07   89.844  3916.77  128.880  3707.26  125.311  759.301   12.525  738.716   12.518 20.58514 17.70819 
1 1 1    1   12    6 o  550.571   6.9668  2054.52   51.938  1988.77   71.722  2127.01   75.311  541.330   9.7771  559.813   9.9274 -18.48297 13.93353 
1 1 1    1   12    7 o  405.301   5.7324  1113.79   31.473  1096.35   43.797  1132.41   45.257  402.026   8.0390  408.576   8.1740 -6.549988 11.46473 
1 1 1    1   12    8 o  455.957   6.1397  1408.73   37.908  1365.29   52.389  1456.48   54.921  448.592   8.6179  463.322   8.7472 -14.73050 12.27934 
1 1 1    1   12    9 o  231.915   4.7676  363.478   14.950  346.787   20.335  383.116   22.056  226.143   6.6354  237.687   6.8477 -11.54393 9.535212 
1 1 1    1   12   10 o  429.594   5.9633  1246.26   34.622  1174.53   46.901  1332.14   51.322  416.083   8.3180  443.104   8.5471 -27.02127 11.92653 
1 1 1    1   12   11 o  629.853   10.930  2700.15   93.290  2720.52  132.036  2679.84  131.827  632.234   15.411  627.472   15.503 4.761719 21.85996 
1 1 1    1   12   12 o  460.897   8.7861  1441.48   54.876  1441.48   54.876   0.0000   0.0000  460.897   8.7861  ?   ?       ?      ? 
1 1 1    1   12   13 o  484.988   9.0268  1596.32   59.326  1596.32   59.326   0.0000   0.0000  484.988   9.0268  ?   ?       ?      ? 
1 1 1    1   12   14 o  229.618   5.9115  364.110   17.191  376.471   21.072  339.511   29.727  235.611   6.5999  223.625   9.8094 11.98549 11.82299 
1 1 1    1   12   15 o  185.894   5.5133  242.182   11.856  249.819   13.712  219.555   23.602  191.959   5.2711  179.830   9.6851 12.12891 11.02656 
1 1 1    1   12   16 o  319.677   5.9701  700.850   22.294  708.153   25.754  679.023   44.526  323.163   5.8809  316.191   10.392 6.972107 11.94021 
1 1 1    1   12   17 f  312.241   5.8406  655.204   21.246  649.156   24.392  674.219   43.250  309.407   5.8175  315.076   10.129 -5.668854 11.68114 
1 1 1    1   12   18 o  146.416   5.4806  144.320   9.3348  143.251   10.714  147.690   19.019  145.352   5.4395  147.480   9.5163 -2.128250 10.96121 
1 1 1    1   12   19 o  215.039   5.4055  318.564   13.588  323.406   15.723  304.276   27.009  218.397   5.3127  211.681   9.4156 6.715469 10.81103 
1 1 1    1   12   20 o  326.705   5.9993  731.379   22.959  738.281   26.552  710.934   45.701  329.942   5.9386  323.467   10.426 6.474182 11.99851 
1 1 1    1   12   21 o  380.517   6.4473  995.266   28.789  1007.61   33.353  959.197   57.021  385.417   6.3858  375.617   11.202 9.800201 12.89456 
1 1 1    1   12   22 o  306.106   7.1524  635.800   29.669  635.800   29.669   0.0000   0.0000  306.106   7.1524  ?   ?       ?      ? 
1 1 1    1   12   23 o  269.183   6.9263  491.654   25.266  491.654   25.266   0.0000   0.0000  269.183   6.9263  ?   ?       ?      ? 
1 1 1    1   12   24 f  282.040   5.6316  539.505   21.524  539.505   21.524   0.0000   0.0000  282.040   5.6316  ?   ?       ?      ? 
1 1 1    1   12   25 o  120.810   5.7369  101.169   8.1507  103.370   9.4764   94.914   15.978  123.452   5.6645  118.167   9.9781 5.284355 11.47389 
1 1 1    1   12   26 o  205.841   5.3298  289.158   12.895  290.717   14.923  284.566   25.618  207.040   5.3191  204.643   9.2377 2.396973 10.65959 
1 1 1    1   12   27 o  238.770   5.8257  391.245   17.910  400.639   22.257  373.989   30.166  242.971   6.7598  234.569   9.4899 8.401733 11.65132 
1 1 1    1   12   28 o  246.796   5.4705  417.402   15.892  421.367   18.425  405.887   31.405  249.240   5.4552  244.351   9.4841 4.889008 10.94107 
1 1 1    1   12   29 o  121.049   5.4710   95.982   7.9955   92.022   9.2897  107.297   15.704  116.462   5.8862  125.636   9.2238 -9.174278 10.94193 
1 1 1    1   12   30 o   70.030   7.6445   34.039   6.1678   34.157   7.1807   33.707   12.045   70.922   7.4715   69.138   13.339 1.783592 15.28892 
1 1 1    1   12   31 o   76.202   6.5047   34.694   6.2160   27.663   7.2909   53.406   11.894   63.802   8.4326   88.602   9.9064 -24.79940 13.00943 
1 1 1    1   12   32 o  216.464   4.5863  318.055   13.453  317.388   18.945  318.734   19.107  216.236   6.4651  216.692   6.5067 -0.4558105 9.172510 
1 1 1    1   12   33 o  134.895   4.7151  123.567   8.6160  119.550   12.176  127.596   12.193  132.694   6.7714  137.095   6.5633 -4.401093 9.430172 
1 1 1    1   12   34 o  288.962   4.9028  567.026   19.198  571.376   27.196  562.706   27.105  290.068   6.9186  287.856   6.9485 2.211823 9.805558 
1 1 1    1   12   35 o  176.500   4.5810  211.252   10.945  225.746   15.756  197.736   15.215  182.349   6.3761  170.651   6.5792 11.69809 9.161948 
1 1 1    1   12   36 o  194.442   6.5534  256.730   17.268  256.730   17.268   0.0000   0.0000  194.442   6.5534  ?   ?       ?      ? 
1 1 1    1   12   37 o  266.002   6.0278  490.733   20.449  452.306   34.755  511.081   25.291  257.696   9.9523  274.308   6.8036 -16.61218 12.05563 
1 1 1    1   12   38 f  297.626   6.1272  596.905   23.155  619.143   40.941  586.447   28.077  301.456   10.022  293.796   7.0521 7.660309 12.25440 
1 1 1    1   12   39 o  146.586   4.7387  145.840   9.4090  150.959   13.538  141.058   13.086  149.072   6.7016  144.100   6.7014 4.971664 9.477335 
1 1 1    1   12   40 o  219.605   4.6383  327.588   13.803  322.586   19.451  332.662   19.590  217.915   6.5866  221.296   6.5324 -3.381897 9.276637 
1 1 1    1   12   41 f   84.396   5.8273   48.438   6.6487   53.124   9.5420   44.017   9.2694   88.373   7.9678   80.420   8.5056 7.952942 11.65469 
1 1 1    1   12   42 o  165.772   5.6349  186.226   11.994  184.682   14.738  189.253   20.639  164.865   6.5968  166.679   9.1373 -1.813919 11.26976 
1 1 1    1   12   43 o  235.798   5.7993  377.515   17.484  375.682   21.409  381.186   30.296  235.114   6.7196  236.482   9.4539 -1.367874 11.59865 
1 1 1    1   12   44 o  206.391   6.6903  289.523   18.712  289.523   18.712   0.0000   0.0000  206.391   6.6903  ?   ?       ?      ? 
1 1 1    1   12   45 o   50.832   8.7113   18.429   5.9357   17.664   8.6182   19.120   8.1871   49.824   12.720   51.839   11.905 -2.014835 17.42251 
1 1 1    1   12   46 o  135.712   4.9136  125.135   9.0301  127.961   13.067  122.552   12.493  137.171   7.0298  134.252   6.8669 2.919189 9.827139 
1 1 1    1   12   47 o  101.398   5.6287   70.924   7.6127   57.472   10.895   83.759   10.642   91.827   8.7551  110.969   7.0766 -19.14177 11.25747 
1 1 1    1   12   48 o  107.061   7.5564   78.018   10.963   0.0000   0.0000   78.018   10.963  ?   ?   107.061   7.5564      ?      ? 
1 1 1    1   12   49 o  152.234   4.9668  157.491   10.236  161.550   14.872  153.835   14.111  154.087   7.1221  150.380   6.9246 3.706909 9.933547 
1 1 1    1   12   50 f  190.937   4.8057  248.030   12.414  229.672   17.408  267.029   17.709  183.725   6.9918  198.150   6.5950 -14.42451 9.611404 
1 1 1    1   12   51 o  194.449   5.7810  253.549   14.359  270.153   25.241  245.604   17.460  198.900   9.3645  189.999   6.7811 8.900833 11.56191 
1 1 1    1   12   52 o  186.958   5.9550  242.262   14.063  227.479   24.469  249.553   17.185  182.395   9.8998  191.521   6.6214 -9.126007 11.90998 
1 1 1    1   12   53 o  134.396   5.1435  122.158   9.3324  137.286   13.839  109.540   12.639  141.982   7.1926  126.811   7.3547 15.17162 10.28709 
1 1 1    1   12   54 o  210.702   4.8553  302.927   13.831  282.177   19.703  323.087   19.421  203.531   7.1435  217.874   6.5778 -14.34254 9.710681 
1 1 1    1   12   55 o   85.066   9.7586   51.584   10.771   45.520   16.212   56.376   14.411   79.610   15.585   90.522   11.748 -10.91231 19.51710 
1 1 1    1   12   56 o  224.182   6.2353  354.185   17.742  311.880   30.001  376.940   22.003  213.171   10.385  235.193   6.9034 -22.02103 12.47059 
1 1 1    1   12   57 o  132.518   5.2974  120.014   9.4904  117.278   13.815  122.459   13.059  131.049   7.7794  133.988   7.1924 -2.939178 10.59482 
1 1 1    1   12   58 o  106.715   5.7745   77.883   8.3342   78.007   12.178   77.773   11.430  106.764   8.4169  106.666   7.9078 0.9819031E-01 11.54894 
1 1 1    1   12   59 f   75.458   7.0632   38.928   7.1997   42.936   10.678   35.586   9.7489   78.999   9.9746   71.917   10.003 7.082108 14.12641 
1 1 1    1   12   60 o  207.545   4.9177  294.376   13.816  277.490   19.472  311.496   19.606  201.506   7.1309  213.585   6.7740 -12.07941 9.835467 
1 1 1    1   12   61 o  103.035   7.1906   74.518   9.5782   77.707   12.036   69.012   15.816  106.406   8.3473   99.663   11.711 6.743004 14.38117 
1 1 1    1   12   62 o   87.505   6.4061   52.741   7.5806   52.874   11.087   52.624   10.388   87.563   9.3435   87.447   8.7664 0.1163025 12.81213 
1 1 1    1   12   63 o  189.818   4.9150  246.555   12.634  252.452   18.277  241.158   17.485  191.968   7.0256  187.668   6.8752 4.299850 9.829933 
1 1 1    1   12   64 o   83.746   7.4894   47.611   8.2988   43.547   10.480   54.443   13.589   79.245   9.7590   88.247   11.363 -9.002228 14.97886 
1 1 1    1   12   65 o   85.915   7.4631   50.613   8.4414   47.856   10.618   55.348   13.915   83.045   9.4355   88.785   11.565 -5.740654 14.92611 
1 1 1    1   12   66 o  105.614   5.6553   77.450   8.0456   69.829   11.587   84.546   11.180  100.436   8.5135  110.791   7.4467 -10.35485 11.31069 
1 1 1    1   12   67 o   51.831   8.9334   20.290   6.2859   15.473   9.4017   24.184   8.4531   45.987   13.905   57.675   11.219 -11.68732 17.86677 
1 1 1    1   12   68 o   40.263   9.0750   10.589   5.9009   17.351   8.7493   4.9456   7.9924   48.299   13.056   32.226   12.608 16.07339 18.15008 
1 1 1    1   12   69 o   53.563   9.9132   22.148   7.0407   19.204   12.472   23.525   8.5298   50.580   16.134   56.547   11.522 -5.966679 19.82643 
1 1 1    1   12   70 o   77.254   9.2426   41.942   9.6761   0.0000   0.0000   41.942   9.6761  ?   ?    77.254   9.2426      ?      ? 
1 1 1    1   12   71 o   36.973   13.061   9.1865   8.1612   0.0000   0.0000   9.1865   8.1612  ?   ?    36.973   13.061      ?      ? 
1 1 1    1   12   72 o   38.592   10.192   7.3703   6.7244   16.022   12.492   3.8408   7.9791   46.506   16.178   30.678   12.400 15.82790 20.38336 
1 1 1    1   12   73 o   48.408   10.458   18.119   7.2237   17.567   12.821   18.376   8.7435   47.897   16.405   48.919   12.976 -1.021515 20.91633 
1 1 1    1   12   74 o   48.966   11.564   18.956   9.0606   20.966   12.025   16.315   13.781   51.247   15.772   46.686   16.916 4.561646 23.12753 
1 1 1    1   12   75 o   90.556   9.3521   60.287   10.916   44.687   14.242   82.503   16.996   75.448   14.456  105.663   11.869 -30.21434 18.70422 
1 1 1    1   12   76 f   63.388   11.063   31.721   9.5330   23.147   12.513   43.580   14.716   53.108   16.038   73.669   15.244 -20.56053 22.12675 
1 1 1    1   12   77 o   41.335   10.118   9.9307   8.5603   23.354   11.335  -7.8882   13.060   53.548   15.014   29.122   13.566 24.42640 20.23502 
1 1 1    1   12   78 o   32.036   9.7713   0.2433   8.2427   7.4691   10.798  -9.8462   12.760   36.285   14.509   27.788   13.092 8.497320 19.54270 
1 1 1    1   12   79 o   58.437   10.746   25.011   9.4362   9.9096   12.040   49.054   15.192   39.141   15.426   77.732   14.966 -38.59134 21.49256 
1 1 1    1   12   80 o   48.407   11.880   19.092   9.2720   16.690   11.678   23.188   15.252   45.303   15.648   51.512   17.879 -6.209114 23.75964 
1 1 1    1   12   81 o   41.397   15.076   13.308   10.967   13.308   10.967   0.0000   0.0000   41.397   15.076  ?   ?       ?      ? 
1 1 1    1   12   82 o   36.697   10.427   4.9009   8.3121  -3.5001   10.709   17.632   13.183   27.764   12.699   45.631   16.543 -17.86666 20.85485 
1 1 1    1   12   83 o   37.607   10.660   5.3335   8.7657  -4.3716   11.289   20.070   13.911   27.830   12.841   47.384   17.018 -19.55421 21.31964 
1 1 1    1   12   84 o   44.126   11.639   16.850   9.2712   14.932   12.316   19.360   14.085   42.114   15.859   46.137   17.041 -4.022942 23.27837 
1 1 1    1   12   85 o   47.558   10.469   14.348   9.7542  -7.3847   13.102   41.369   14.610   28.004   13.216   67.113   16.240 -39.10910 20.93769 
1 1 1    1   12   86 o   52.167   17.593   27.863   14.744   0.0000   0.0000   27.863   14.744  ?   ?    52.167   17.593      ?      ? 
1 1 1    1   12   87 o   54.374   12.330   30.993   10.279   30.452   14.152   31.597   14.955   54.225   17.175   54.522   17.697 -0.2965775 24.66099 
1 1 1    1   12   88 o   51.678   11.862   27.721   10.406   14.750   14.238   42.598   15.248   39.435   16.322   63.920   17.217 -24.48447 23.72420 
1 1 1    1   13    0 o  248.829   4.7591  420.389   16.032  434.311   22.448  405.896   22.904  253.045   6.5463  244.613   6.9095 8.432281 9.518139 
1 1 1    1   13    1 o  177.243   4.6403  212.393   11.123  202.736   15.150  223.686   16.383  172.889   6.4662  181.597   6.6572 -8.707703 9.280622 
1 1 1    1   13    2 o  203.379   4.6628  279.786   12.824  269.319   17.465  292.031   18.890  199.267   6.4678  207.491   6.7183 -8.223785 9.325682 
1 1 1    1   13    3 f  208.938   4.6579  296.345   13.171  301.294   18.252  290.967   19.024  210.766   6.3903  207.110   6.7784 3.656250 9.315710 
1 1 1    1   13    4 o  183.055   5.8257  235.680   13.713  198.344   22.270  258.482   17.404  170.898   9.6163  195.212   6.5789 -24.31421 11.65140 
1 1 1    1   13    5 o  247.606   5.7904  413.446   18.527  424.884   31.546  407.424   22.890  250.143   9.3063  245.069   6.8925 5.073715 11.58074 
1 1 1    1   13    6 o  183.048   5.7649  229.206   13.679  221.147   22.764  233.762   17.114  180.462   9.3086  185.633   6.8033 -5.170654 11.52971 
1 1 1    1   13    7 o  191.368   5.6791  248.257   14.103  249.562   23.666  247.539   17.562  191.712   9.1094  191.024   6.7843 0.6878510 11.35811 
1 1 1    1   13    8 o  188.596   4.6710  241.323   11.920  242.130   16.423  240.425   17.327  188.936   6.4144  188.257   6.7919 0.6786041 9.342042 
1 1 1    1   13    9 o  211.524   4.6646  303.422   13.355  301.707   18.423  305.321   19.388  210.900   6.4463  212.148   6.7438 -1.248184 9.329179 
1 1 1    1   13   10 o  256.739   4.8363  446.872   16.811  440.332   23.206  454.093   24.385  254.769   6.7216  258.708   6.9556 -3.939072 9.672621 
1 1 1    1   13   11 o  296.715   5.0287  596.154   20.191  575.663   27.675  619.473   29.524  291.281   7.0112  302.149   7.2105 -10.86856 10.05731 
1 1 1    1   13   12 o   89.462   7.4644   57.470   8.1511   62.342   9.8654   46.990   14.470   95.843   7.5958   83.082   12.852 12.76022 14.92872 
1 1 1    1   13   13 o  293.474   5.7935  574.470   19.596  565.500   22.352  604.262   40.737  288.758   5.7122  298.191   10.081 -9.432892 11.58705 
1 1 1    1   13   14 o  353.211   6.6658  862.338   30.068  894.216   37.185  802.120   51.108  362.973   7.5597  343.449   10.981 19.52417 13.33157 
1 1 1    1   13   15 o  221.867   5.4720  331.901   14.065  329.840   16.117  338.483   28.803  220.537   5.3929  223.197   9.5230 -2.659576 10.94401 
1 1 1    1   13   16 o  300.457   5.9093  621.060   20.742  629.123   23.981  597.110   41.333  304.551   5.8106  296.364   10.292 8.186951 11.81867 
1 1 1    1   13   17 o  331.059   7.3971  743.935   33.185  743.935   33.185   0.0000   0.0000  331.059   7.3971  ?   ?       ?      ? 
1 1 1    1   13   18 o  366.845   6.3163  913.057   31.400  913.057   31.400   0.0000   0.0000  366.845   6.3163  ?   ?       ?      ? 
1 1 1    1   13   19 o  297.094   6.0677  626.202   21.003  654.507   24.469  546.983   40.935  310.618   5.8130  283.570   10.652 27.04852 12.13532 
1 1 1    1   13   20 o  322.827   6.1123  734.765   23.250  764.820   27.205  653.343   44.777  335.758   5.9791  309.895   10.662 25.86273 12.22451 
1 1 1    1   13   21 o  415.194   6.7957  1183.79   33.136  1195.92   38.384  1148.29   65.649  419.770   6.7476  410.618   11.798 9.152039 13.59133 
1 1 1    1   13   22 f  308.260   5.8998  642.139   21.217  638.863   24.400  652.294   42.958  306.862   5.8677  309.657   10.237 -2.795105 11.79961 
1 1 1    1   13   23 o  193.076   5.8553  257.712   14.472  267.619   17.948  239.296   24.469  198.565   6.6699  187.587   9.6256 10.97824 11.71066 
1 1 1    1   13   24 o  201.240   5.4973  280.574   12.867  286.032   14.870  264.309   25.669  205.343   5.3439  197.137   9.6085 8.205902 10.99461 
1 1 1    1   13   25 o  268.127   5.6789  493.012   17.816  497.612   20.593  479.327   35.520  270.821   5.6112  265.433   9.8749 5.388519 11.35781 
1 1 1    1   13   26 o  206.296   5.8279  294.285   15.487  306.679   19.356  272.233   25.818  212.541   6.7202  200.052   9.5234 12.48830 11.65573 
1 1 1    1   13   27 o  254.160   5.5716  440.038   16.629  441.185   19.223  436.629   33.145  254.996   5.5629  253.324   9.6553 1.672226 11.14315 
1 1 1    1   13   28 o  358.745   6.2742  877.263   26.436  879.365   30.562  871.018   52.680  359.927   6.2660  357.563   10.872 2.363373 12.54843 
1 1 1    1   13   29 o  183.045   5.4475  230.485   11.721  233.416   13.592  221.983   23.150  185.475   5.4079  180.616   9.4582 4.859283 10.89510 
1 1 1    1   13   30 o  200.783   5.9066  281.799   15.258  301.732   19.212  247.759   25.107  210.789   6.7259  190.777   9.7115 20.01219 11.81319 
1 1 1    1   13   31 o  253.735   5.4938  422.938   16.308  409.354   18.663  466.789   33.531  245.597   5.6077  261.873   9.4488 -16.27641 10.98760 
1 1 1    1   13   32 o  260.975   6.0502  472.674   20.351  496.300   25.513  431.344   33.744  270.294   6.9653  251.657   9.8946 18.63737 12.10041 
1 1 1    1   13   33 o   88.094   7.1490   51.355   8.3839   45.144   10.701   61.228   13.492   81.414   9.6992   94.773   10.505 -13.35850 14.29792 
1 1 1    1   13   34 o  154.868   5.4721  161.257   10.062  159.351   11.658  166.824   19.925  153.218   5.6149  156.518   9.3941 -3.299545 10.94422 
1 1 1    1   13   35 o  179.996   5.4210  220.355   11.523  220.430   13.352  220.135   22.809  180.209   5.4677  179.783   9.3623 0.4262085 10.84192 
1 1 1    1   13   36 o  127.930   4.8541  111.284   8.3946  101.509   11.785  121.353   11.961  122.209   7.1160  133.651   6.6040 -11.44146 9.708235 
1 1 1    1   13   37 o  127.193   4.9334  110.042   8.4897  102.549   11.974  117.616   12.039  122.823   7.1941  131.562   6.7526 -8.738937 9.866746 
1 1 1    1   13   38 o  193.009   5.6372  248.976   13.881  240.607   16.847  266.667   24.494  188.173   6.6068  197.845   9.1358 -9.671646 11.27445 
1 1 1    1   13   39 o  163.623   9.3582  182.478   20.750   0.0000   0.0000  182.478   20.750  ?   ?   163.623   9.3582      ?      ? 
1 1 1    1   13   40 o  229.183   6.6794  357.004   20.745  357.004   20.745   0.0000   0.0000  229.183   6.6794  ?   ?       ?      ? 
1 1 1    1   13   41 o  183.517   9.2862  229.622   23.094   0.0000   0.0000  229.622   23.094  ?   ?   183.517   9.2862      ?      ? 
1 1 1    1   13   42 o  212.780   4.7173  307.668   13.596  320.613   19.424  295.234   19.037  217.174   6.6002  208.386   6.7415 8.787247 9.434511 
1 1 1    1   13   43 o  148.889   4.8923  150.749   9.8693  151.215   14.094  150.301   13.825  149.110   6.9750  148.667   6.8621 0.4425354 9.784615 
1 1 1    1   13   44 o  219.838   4.8232  328.313   14.361  341.861   20.704  315.752   19.936  224.205   6.8145  215.472   6.8276 8.733200 9.646415 
1 1 1    1   13   45 o  239.325   4.9121  389.033   15.918  406.409   23.056  373.205   22.005  244.422   6.9609  234.228   6.9326 10.19379 9.824224 
1 1 1    1   13   46 o  175.799   4.8891  210.416   11.639  203.760   16.598  216.853   16.324  173.045   7.0782  178.553   6.7465 -5.507675 9.778297 
1 1 1    1   13   47 f  130.958   5.1522  116.823   9.1323  115.001   13.185  118.504   12.661  129.958   7.4866  131.957   7.0804 -1.998825 10.30442 
1 1 1    1   13   48 o  197.928   5.8274  262.452   14.658  280.411   26.043  254.124   17.733  202.599   9.4859  193.257   6.7713 9.341507 11.65472 
1 1 1    1   13   49 o  248.613   9.8051  422.662   33.034  422.662   33.034   0.0000   0.0000  248.613   9.8051  ?   ?       ?      ? 
1 1 1    1   13   50 o  168.406   4.9991  194.219   11.340  173.235   16.258  214.097   15.824  159.442   7.5247  177.370   6.5836 -17.92789 9.998243 
1 1 1    1   13   51 o  149.606   9.6512  153.166   19.567   0.0000   0.0000  153.166   19.567  ?   ?   149.606   9.6512      ?      ? 
1 1 1    1   13   52 o   85.977   8.4627   49.145   8.5733   54.535   17.425   47.423   9.8477   88.656   14.504   83.299   8.7240 5.356651 16.92545 
1 1 1    1   13   53 o   89.729   6.3534   56.474   7.5285   44.975   11.120   66.203   10.229   80.965   10.135   98.493   7.6639 -17.52811 12.70680 
1 1 1    1   13   54 o  133.999   5.2193  122.874   9.4455  117.468   13.744  127.713   13.003  131.151   7.7332  136.846   7.0116 -5.695328 10.43865 
1 1 1    1   13   55 o  187.851   4.8762  241.022   12.396  233.451   17.816  248.126   17.258  184.948   7.1087  190.754   6.6765 -5.805649 9.752335 
1 1 1    1   13   56 o  102.806   5.7671   72.892   7.9670   66.925   11.737   77.990   10.849   98.793   8.7673  106.818   7.4948 -8.025383 11.53420 
1 1 1    1   13   57 f   98.067   7.0911   64.020   9.1506   57.504   11.421   75.698   15.291   91.465   9.2147  104.668   10.781 -13.20210 14.18217 
1 1 1    1   13   58 o   93.438   7.2420   57.263   8.8864   48.636   11.025   73.262   15.014   83.994   9.6859  102.881   10.769 -18.88703 14.48403 
1 1 1    1   13   59 o  134.497   5.2024  123.210   9.4464  139.171   13.907  109.538   12.871  142.569   7.1983  126.425   7.5129 16.14420 10.40474 
1 1 1    1   13   60 o  131.632   5.2082  118.913   9.2753  116.953   13.441  120.695   12.816  130.546   7.5980  132.719   7.1256 -2.173309 10.41648 
1 1 1    1   13   61 o   73.284   6.9815   37.469   6.8784   35.116   10.183   39.442   9.3278   71.030   10.580   75.537   9.1125 -4.506546 13.96304 
1 1 1    1   13   62 o   33.794   9.3110   1.9574   6.6265  -5.2045   8.6631   12.057   10.287   25.065   11.448   42.522   14.688 -17.45707 18.62199 
1 1 1    1   13   63 o   58.937   9.4866   26.255   7.5234   30.926   9.7934   19.528   11.752   66.418   10.881   51.456   15.543 14.96191 18.97322 
1 1 1    1   13   64 o   79.534   6.5596   44.156   7.0298   42.873   10.418   45.228   9.5253   78.344   9.8128   80.724   8.7074 -2.380630 13.11911 
1 1 1    1   13   65 o   28.987   8.5212   1.8691   5.5663  -0.6708   8.5034   3.7735   7.3631   27.813   12.094   30.161   12.007 -2.348200 17.04232 
1 1 1    1   13   66 o   40.769   9.4858   12.058   6.7015  -0.6011   12.405   17.275   7.9635   33.312   14.544   48.227   12.182 -14.91528 18.97166 
1 1 1    1   13   67 f   53.958   10.153   21.378   7.1234   24.354   12.913   20.076   8.5405   56.078   16.128   51.838   12.336 4.240265 20.30543 
1 1 1    1   13   68 o   41.790   10.198   12.505   6.8901   8.6892   12.455   14.187   8.2710   39.957   15.708   43.624   13.009 -3.667324 20.39522 
1 1 1    1   13   69 o   40.074   13.223   11.621   8.3369   0.0000   0.0000   11.621   8.3369  ?   ?    40.074   13.223      ?      ? 
1 1 1    1   13   70 f   43.744   9.9836   14.901   7.0352   6.6806   12.508   18.705   8.5086   37.965   15.459   49.522   12.637 -11.55639 19.96722 
1 1 1    1   13   71 o   36.893   9.8314   8.5818   6.8063   3.0974   11.682   11.401   8.3747   34.256   14.519   39.529   13.259 -5.273346 19.66283 
1 1 1    1   13   72 o   69.133   10.557   37.503   9.9181   25.038   13.641   51.485   14.447   55.255   16.758   83.012   12.842 -27.75662 21.11300 
1 1 1    1   13   73 o   44.328   10.902   12.767   8.6402   3.5281   11.577   24.384   12.982   34.183   14.469   54.473   16.310 -20.29025 21.80307 
1 1 1    1   13   74 o   36.714   10.072   3.1239   8.2127  -9.1857   11.111   17.952   12.194   26.002   12.240   47.427   15.999 -21.42467 20.14456 
1 1 1    1   13   75 o   49.472   11.526   19.449   9.1929   13.156   12.538   26.765   13.519   42.582   16.008   56.362   16.588 -13.77955 23.05230 
1 1 1    1   13   76 o   76.467   9.9690   45.462   10.072   39.868   13.386   52.760   15.289   70.388   14.516   82.546   13.668 -12.15817 19.93808 
1 1 1    1   13   77 o   41.779   11.081   10.660   8.9173   2.4625   11.805   21.554   13.609   33.161   14.335   50.398   16.902 -17.23655 22.16232 
1 1 1    1   13   78 o   41.972   11.180   13.046   8.9470   17.578   11.946   7.2559   13.502   46.162   15.834   37.783   15.787 8.379627 22.35964 
1 1 1    1   13   79 o   49.676   11.586   19.346   9.2235   11.516   11.794   31.672   14.799   39.902   15.398   59.450   17.315 -19.54839 23.17138 
1 1 1    1   13   80 o   48.285   15.710   20.162   11.783   20.162   11.783   0.0000   0.0000   48.285   15.710  ?   ?       ?      ? 
1 1 1    1   13   81 o   38.582   11.017   9.2928   8.7885   5.1507   11.280   15.692   14.020   33.726   14.280   43.439   16.781 -9.713268 22.03427 
1 1 1    1   13   82 o   61.572   11.829   34.985   10.070   34.017   13.389   36.247   15.280   61.415   15.946   61.729   17.476 -0.3137474 23.65801 
1 1 1    1   13   83 o   64.175   11.526   37.088   10.391   24.278   13.665   54.649   15.999   50.110   16.936   78.239   15.637 -28.12898 23.05111 
1 1 1    1   13   84 o   47.232   11.068   20.908   9.5124   32.605   12.859   6.7700   14.137   58.930   15.785   35.533   15.520 23.39685 22.13665 
1 1 1    1   13   85 o   46.727   17.295   22.968   14.523   0.0000   0.0000   22.968   14.523  ?   ?    46.727   17.295      ?      ? 
1 1 1    1   13   86 o   50.616   11.549   26.200   10.122   12.228   14.034   41.346   14.612   37.618   15.928   63.613   16.728 -25.99417 23.09811 
1 1 1    1   14    0 o  136.257   5.9922  126.847   10.630  123.420   17.557  128.831   13.357  134.746   9.6148  137.767   7.1543 -3.020966 11.98448 
1 1 1    1   14    1 o  284.733   5.0138  550.750   19.326  576.780   27.253  524.420   27.410  291.520   6.8987  277.947   7.2772 13.57281 10.02751 
1 1 1    1   14    2 o  202.591   4.7254  277.075   12.938  258.086   17.537  299.753   19.165  195.016   6.6358  210.165   6.7292 -15.14902 9.450711 
1 1 1    1   14    3 o  196.680   4.7207  262.601   12.558  263.952   17.257  261.080   18.308  197.227   6.4569  196.132   6.8883 1.095749 9.441422 
1 1 1    1   14    4 o  282.400   4.9712  540.781   19.005  530.437   26.188  552.288   27.622  279.559   6.9127  285.242   7.1460 -5.683533 9.942386 
1 1 1    1   14    5 o  290.451   5.0256  572.593   19.768  571.332   27.453  573.951   28.488  290.128   6.9827  290.774   7.2297 -0.6459656 10.05124 
1 1 1    1   14    6 o  155.228   4.8639  163.760   10.197  166.376   13.926  160.735   14.973  156.578   6.5630  153.878   7.1804 2.700760 9.727832 
1 1 1    1   14    7 o  222.385   4.7587  335.369   14.320  330.791   19.671  340.531   20.888  220.780   6.5748  223.989   6.8815 -3.209869 9.517493 
1 1 1    1   14    8 o  190.426   4.7327  245.606   12.191  238.317   16.652  254.024   17.896  187.395   6.5574  193.459   6.8261 -6.064117 9.465468 
1 1 1    1   14    9 o  277.247   4.9782  521.539   18.682  516.904   25.757  526.684   27.137  275.959   6.8877  278.535   7.1896 -2.576355 9.956397 
1 1 1    1   14   10 o  156.484   5.9451  160.586   11.600  152.298   13.748  181.064   21.610  149.793   6.7727  163.176   9.7728 -13.38217 11.89025 
1 1 1    1   14   11 f  115.408   6.8145   95.008   9.4707  101.078   11.293   80.617   17.388  122.029   6.8290  108.787   11.795 13.24245 13.62906 
1 1 1    1   14   12 o  175.380   5.8569  207.480   12.843  205.152   15.389  212.821   23.310  173.860   6.5317  176.900   9.7238 -3.040314 11.71390 
1 1 1    1   14   13 o   69.496   8.1856   29.934   6.2958   27.300   7.0515   40.284   13.978   63.390   8.2088   75.603   14.164 -12.21305 16.37112 
1 1 1    1   14   14 o  128.549   5.8895  116.120   8.6284  119.617   9.9105  105.169   17.540  132.786   5.5076  124.312   10.412 8.473679 11.77896 
1 1 1    1   14   15 o  137.223   5.5608  120.053   8.8012  113.574   9.9607  143.122   18.795  129.382   5.6811  145.063   9.5611 -15.68176 11.12158 
1 1 1    1   14   16 o  153.132   5.6361  161.936   9.9651  164.412   11.465  154.285   20.153  155.675   5.4346  150.589   9.8757 5.086395 11.27227 
1 1 1    1   14   17 o  189.291   5.5865  249.993   12.193  256.273   14.057  230.904   24.505  194.361   5.3369  184.221   9.8159 10.13980 11.17290 
1 1 1    1   14   18 o  160.119   5.4906  171.029   10.199  168.173   11.665  180.294   21.009  157.440   5.4676  162.798   9.5232 -5.357498 10.98118 
1 1 1    1   14   19 o  162.889   5.4663  175.054   10.396  170.243   11.898  190.581   21.374  158.401   5.5427  167.376   9.4234 -8.975769 10.93262 
1 1 1    1   14   20 o  303.106   5.9398  627.351   20.967  630.078   24.151  619.005   42.248  304.703   5.8490  301.509   10.340 3.194977 11.87963 
1 1 1    1   14   21 o  236.164   5.6663  383.706   15.558  388.238   17.941  369.963   31.242  239.198   5.5347  233.130   9.8891 6.068069 11.33261 
1 1 1    1   14   22 o  281.228   6.2610  543.694   22.380  555.070   27.428  521.032   38.712  285.870   7.0802  276.587   10.328 9.283173 12.52210 
1 1 1    1   14   23 o  287.592   7.1228  561.831   27.760  561.831   27.760   0.0000   0.0000  287.592   7.1228  ?   ?       ?      ? 
1 1 1    1   14   24 o  120.123   6.0186   97.952   9.7972   97.952   9.7972   0.0000   0.0000  120.123   6.0186  ?   ?       ?      ? 
1 1 1    1   14   25 o   93.913   6.9210   64.043   7.3601   67.829   8.5045   52.744   14.690   99.950   6.2789   87.877   12.336 12.07264 13.84207 
1 1 1    1   14   26 o  130.355   5.6402  107.020   8.6938   99.072   9.9223  133.286   18.038  120.800   6.0613  139.911   9.5137 -19.11117 11.28045 
1 1 1    1   14   27 o  208.233   5.5303  296.559   13.487  298.324   15.585  291.294   26.917  209.654   5.4854  206.812   9.6044 2.842422 11.06053 
1 1 1    1   14   28 o  149.561   6.2162  157.445   11.837  169.449   14.772  135.912   19.785  157.925   6.9027  141.197   10.340 16.72824 12.43231 
1 1 1    1   14   29 o  214.153   6.0332  321.139   16.581  343.827   20.823  281.824   27.410  224.955   6.8305  203.351   9.9469 21.60374 12.06635 
1 1 1    1   14   30 f  123.682   5.9541  102.799   8.7236  101.453   10.092  106.777   17.350  122.227   6.0930  125.136   10.231 -2.909790 11.90826 
1 1 1    1   14   31 o  117.592   6.4111   97.190   9.4984  103.149   11.687   85.594   16.303  123.194   7.0004  111.991   10.743 11.20335 12.82221 
1 1 1    1   14   32 o  148.572   5.9184  150.768   11.151  151.757   13.587  148.727   19.519  149.441   6.7091  147.704   9.7519 1.737000 11.83690 
1 1 1    1   14   33 o  242.793   5.9122  401.618   18.162  402.246   22.054  400.293   32.015  243.291   6.6892  242.296   9.7505 0.9947968 11.82444 
1 1 1    1   14   34 o  183.194   9.6578  228.842   23.976   0.0000   0.0000  228.842   23.976  ?   ?   183.194   9.6578      ?      ? 
1 1 1    1   14   35 o  121.789   6.3080  105.122   8.9115  109.295   10.346   93.130   17.540  126.844   6.0192  116.734   11.088 10.11005 12.61608 
1 1 1    1   14   36 o  137.626   5.9446  128.666   11.087  128.666   11.087   0.0000   0.0000  137.626   5.9446  ?   ?       ?      ? 
1 1 1    1   14   37 o  189.089   5.6443  242.838   14.463  242.838   14.463   0.0000   0.0000  189.089   5.6443  ?   ?       ?      ? 
1 1 1    1   14   38 o  171.835   5.6644  206.544   11.602  213.058   13.625  189.364   22.128  177.107   5.6772  166.562   9.8035 10.54517 11.32870 
1 1 1    1   14   39 o  171.591   5.6932  201.429   11.652  202.452   13.592  198.594   22.633  172.626   5.8101  170.556   9.7924 2.069748 11.38636 
1 1 1    1   14   40 o  229.807   5.9887  359.598   17.554  358.967   21.460  360.874   30.513  229.728   6.8934  229.887   9.7947 -0.1591187 11.97732 
1 1 1    1   14   41 o  216.537   4.8417  318.880   14.205  322.384   20.316  315.528   19.869  217.696   6.8865  215.378   6.8076 2.317505 9.683325 
1 1 1    1   14   42 o  223.104   4.8477  338.485   14.653  348.466   20.954  328.933   20.498  226.325   6.8320  219.884   6.8793 6.440826 9.695363 
1 1 1    1   14   43 o  272.854   7.0621  506.688   26.112   0.0000   0.0000  506.688   26.112  ?   ?   272.854   7.0621      ?      ? 
1 1 1    1   14   44 o  165.648   5.9578  188.122   12.541  184.277   21.821  190.018   15.325  164.186   9.8073  167.110   6.7674 -2.924210 11.91563 
1 1 1    1   14   45 o  104.852   6.7283   75.716   8.9281   73.513   15.616   76.785   10.882  103.544   11.129  106.161   7.5641 -2.617554 13.45665 
1 1 1    1   14   46 o   65.187   10.351   30.836   8.9631   24.703   12.900   36.560   12.462   58.651   15.853   71.722   13.312 -13.07081 20.70110 
1 1 1    1   14   47 o   93.821   8.4195   60.669   10.680   58.007   15.400   63.137   14.825   91.777   12.382   95.866   11.412 -4.088905 16.83902 
1 1 1    1   14   48 o  175.173   6.3690  212.367   13.639  203.843   25.275  215.868   16.200  172.309   10.825  178.038   6.7146 -5.728622 12.73794 
1 1 1    1   14   49 o  136.403   5.2840  126.462   9.7243  131.586   14.559  122.334   13.066  138.856   7.7374  133.950   7.1981 4.905701 10.56790 
1 1 1    1   14   50 o   86.645   6.3411   51.210   7.4175   53.475   11.067   49.363   9.9948   88.351   9.2434   84.940   8.6832 3.410568 12.68221 
1 1 1    1   14   51 o   77.398   6.8974   41.505   7.1478   38.161   10.700   44.200   9.6053   74.465   10.604   80.331   8.8236 -5.866325 13.79473 
1 1 1    1   14   52 o   87.606   6.3040   51.819   7.3930   64.746   11.173   41.751   9.8601   97.226   8.4803   77.986   9.3299 19.23998 12.60804 
1 1 1    1   14   53 o   64.909   7.9425   29.403   6.6861   39.892   9.9589   20.796   9.0215   76.152   9.6505   53.666   12.617 22.48547 15.88491 
1 1 1    1   14   54 o  132.322   6.2574  121.219   10.729  123.618   13.425  116.979   17.849  134.426   7.3694  130.217   10.115 4.208160 12.51477 
1 1 1    1   14   55 o   88.528   7.7479   54.516   8.9459   55.039   11.261   53.622   14.729   89.386   9.2967   87.671   12.397 1.715424 15.49581 
1 1 1    1   14   56 o   73.165   7.0907   37.100   6.9601   36.557   10.569   37.515   9.2486   72.580   10.746   73.750   9.2540 -1.170296 14.18140 
1 1 1    1   14   57 o  130.148   5.2626  116.432   9.2498  113.381   13.550  119.095   12.658  128.473   7.7828  131.824   7.0859 -3.351349 10.52529 
1 1 1    1   14   58 f  127.872   5.3124  113.289   9.1254  100.380   13.243  124.960   12.592  120.735   8.0943  135.009   6.8825 -14.27386 10.62481 
1 1 1    1   14   59 o  102.797   6.0279   75.225   8.0919   54.162   11.701   94.532   11.202   88.266   9.7825  117.328   7.0458 -29.06171 12.05573 
1 1 1    1   14   60 o   42.094   10.182   10.466   7.1200   5.2833   9.1651   18.355   11.307   34.181   13.463   50.007   15.278 -15.82619 20.36317 
1 1 1    1   14   61 o   48.176   10.180   16.755   7.0712   14.882   9.1869   19.478   11.077   45.201   13.763   51.151   15.004 -5.950092 20.35976 
1 1 1    1   14   62 o  137.232   5.2002  130.774   9.6128  119.983   13.968  140.484   13.249  131.652   7.8294  142.813   6.8462 -11.16106 10.40048 
1 1 1    1   14   63 o   62.447   9.7620   26.739   7.3285   35.832   14.294   23.497   8.5357   68.346   15.756   56.547   11.530 11.79860 19.52402 
1 1 1    1   14   64 o   43.109   10.425   12.546   6.7511   14.494   12.953   11.819   7.9104   45.779   16.424   40.438   12.844 5.340939 20.85023 
1 1 1    1   14   65 o   54.391   9.6979   24.339   7.2502   13.775   13.388   28.722   8.6243   45.108   16.622   63.673   9.9951 -18.56456 19.39583 
1 1 1    1   14   66 f   84.962   8.5639   56.820   8.4809   42.991   14.766   63.628   10.360   74.525   15.137   95.399   8.0139 -20.87466 17.12781 
1 1 1    1   14   67 o   21.659   10.155  -6.7558   7.5154   0.0000   0.0000  -6.7558   7.5154  ?   ?    21.659   10.155      ?      ? 
1 1 1    1   14   68 o   44.496   13.006   15.119   8.3364   0.0000   0.0000   15.119   8.3364  ?   ?    44.496   13.006      ?      ? 
1 1 1    1   14   69 o   40.104   11.033   9.9481   8.6182   10.599   12.256   9.3119   12.121   40.715   15.701   39.492   15.505 1.222443 22.06624 
1 1 1    1   14   70 o   57.314   11.618   27.075   9.4995   25.794   13.474   28.342   13.395   55.916   16.588   58.713   16.272 -2.796860 23.23643 
1 1 1    1   14   71 o   67.059   11.111   36.663   9.9191   37.061   14.162   36.280   13.898   67.374   15.787   66.745   15.639 0.6287384 22.22150 
1 1 1    1   14   72 o   50.827   10.200   17.458   9.0576  -0.6562   12.308   38.856   13.378   32.000   14.208   69.653   14.638 -37.65271 20.39903 
1 1 1    1   14   73 f   53.389   11.663   23.848   9.2685   21.840   12.565   26.245   13.728   51.213   16.179   55.565   16.802 -4.352531 23.32571 
1 1 1    1   14   74 o   61.927   11.446   32.410   9.6742   32.538   12.929   32.248   14.582   62.687   15.344   61.167   16.987 1.520321 22.89109 
1 1 1    1   14   75 o   41.810   11.322   12.790   8.9728   13.379   12.438   12.151   12.957   42.243   15.931   41.377   16.091 0.8659286 22.64322 
1 1 1    1   14   76 o   52.342   11.615   23.137   9.2279   18.051   12.288   29.713   13.974   46.497   16.053   58.187   16.791 -11.69054 23.22978 
1 1 1    1   14   77 f   25.463   8.5303  -8.9371   7.7405  -7.4938   9.9900 -11.1050   12.244   24.739   11.634   26.186   12.479 -1.446667 17.06053 
1 1 1    1   14   78 o   45.117   15.587   17.362   11.586   17.362   11.586   0.0000   0.0000   45.117   15.587  ?   ?       ?      ? 
1 1 1    1   14   79 o   35.996   14.711   8.1359   11.378   8.1359   11.378   0.0000   0.0000   35.996   14.711  ?   ?       ?      ? 
1 1 1    1   14   80 o   68.839   10.871   40.965   10.348   26.424   13.809   59.589   15.627   52.629   16.997   85.049   13.559 -32.41967 21.74269 
1 1 1    1   14   81 o   52.136   11.843   25.372   9.7914   16.828   13.001   36.571   14.884   43.002   16.270   61.270   17.214 -18.26788 23.68646 
1 1 1    1   14   82 o   56.285   12.081   31.356   10.076   25.371   13.451   39.008   15.209   50.244   16.805   62.326   17.362 -12.08235 24.16286 
1 1 1    1   14   83 o   43.833   11.464   18.794   9.8185   27.804   13.409   8.3788   14.417   51.844   16.750   35.821   15.658 16.02281 22.92894 
1 1 1    1   14   84 o   28.692   13.471  -3.1900   13.302   0.0000   0.0000  -3.1900   13.302  ?   ?    28.692   13.471      ?      ? 
1 1 1    1   15    0 o  255.501   6.0898  442.283   19.538  439.716   23.526  447.991   35.075  254.473   6.8221  256.530   10.090 -2.056183 12.17967 
1 1 1    1   15    1 o  159.398   6.1415  174.834   12.173  178.117   14.637  167.470   21.922  161.968   6.6687  156.828   10.315 5.139648 12.28306 
1 1 1    1   15    2 o  241.833   5.9505  389.854   18.007  378.054   21.499  417.593   32.963  235.964   6.7233  247.702   9.8199 -11.73860 11.90101 
1 1 1    1   15    3 o  137.458   6.1444  125.336   10.493  120.872   12.444  136.322   19.521  133.416   6.8828  141.501   10.180 -8.085541 12.28874 
1 1 1    1   15    4 o  183.891   5.9350  231.460   13.592  233.950   16.327  225.840   24.531  185.634   6.4905  182.147   9.9383 3.486740 11.86998 
1 1 1    1   15    5 o  176.275   4.7956  211.275   11.415  214.566   15.574  207.454   16.781  177.778   6.4646  174.772   7.0852 3.005692 9.591243 
1 1 1    1   15    6 o  112.363   5.3420   84.940   8.0849   78.492   10.736   93.387   12.288  107.492   7.3706  117.233   7.7345 -9.741356 10.68400 
1 1 1    1   15    7 o   99.222   5.6224   66.955   7.5032   67.302   10.031   66.515   11.305   99.532   7.4369   98.912   8.4344 0.6205292 11.24482 
1 1 1    1   15    8 o  104.403   5.6309   75.013   7.8654   83.295   10.732   65.400   11.561  110.739   7.1513   98.067   8.6998 12.67168 11.26173 
1 1 1    1   15    9 o  136.858   5.1141  125.752   9.4253  109.393   12.616  146.421   14.180  126.896   7.3363  146.821   7.1269 -19.92471 10.22811 
1 1 1    1   15   10 o  174.502   4.9098  205.544   11.575  188.166   15.681  226.348   17.157  166.447   6.9519  182.557   6.9352 -16.10945 9.819651 
1 1 1    1   15   11 o  187.667   5.7029  235.689   14.054  254.152   23.289  225.114   17.625  193.292   8.8909  182.042   7.1445 11.25008 11.40580 
1 1 1    1   15   12 o  146.053   6.1361  149.633   11.631  127.134   18.553  164.200   14.929  136.632   10.020  155.474   7.0856 -18.84225 12.27229 
1 1 1    1   15   13 o  133.419   10.352  121.276   18.717   0.0000   0.0000  121.276   18.717  ?   ?   133.419   10.352      ?      ? 
1 1 1    1   15   14 o  198.865   5.8669  262.052   14.521  252.162   17.235  286.242   26.955  192.695   6.6003  205.034   9.7014 -12.33943 11.73381 
1 1 1    1   15   15 f  298.235   6.2894  600.559   23.541  593.054   28.289  617.458   42.451  295.459   7.0655  301.012   10.407 -5.553192 12.57877 
1 1 1    1   15   16 o  207.916   5.8662  289.565   15.295  282.577   18.319  305.653   27.795  203.975   6.6272  211.857   9.6815 -7.881302 11.73249 
1 1 1    1   15   17 o  218.847   5.8849  325.359   16.265  324.673   19.699  326.828   28.830  218.635   6.6486  219.059   9.7120 -0.4238434 11.76973 
1 1 1    1   15   18 o  180.225   5.9244  224.516   13.456  231.066   16.403  211.038   23.530  184.446   6.5625  176.005   9.8654 8.440765 11.84878 
1 1 1    1   15   19 o   83.369   7.5049   45.901   7.9180   43.416   9.4987   51.558   14.334   79.873   8.7758   86.865   12.177 -6.991989 15.00981 
1 1 1    1   15   20 o  164.340   5.8941  184.827   12.233  186.796   14.865  180.693   21.533  165.827   6.6148  162.852   9.7574 2.974609 11.78819 
1 1 1    1   15   21 o  137.620   6.1761  132.410   10.691  139.029   13.091  119.152   18.528  143.050   6.7530  132.189   10.343 10.86043 12.35222 
1 1 1    1   15   22 o   58.708   10.857   24.609   8.7548   22.414   12.631   26.640   12.146   56.322   15.869   61.095   14.822 -4.773136 21.71461 
1 1 1    1   15   23 o  131.101   7.1909  117.213   12.774  118.298   18.012  116.115   18.120  131.718   10.091  130.484   10.248 1.233932 14.38185 
1 1 1    1   15   24 o  162.141   6.2377  185.230   12.920  200.397   16.207  158.791   21.399  171.713   6.9652  152.569   10.350 19.14384 12.47546 
1 1 1    1   15   25 o  224.338   5.5560  335.708   14.570  329.404   16.719  355.606   29.705  220.266   5.6013  228.410   9.5969 -8.144241 11.11195 
1 1 1    1   15   26 o  193.098   5.9136  246.282   14.648  231.731   17.787  276.939   25.818  184.624   7.1096  201.572   9.4518 -16.94850 11.82719 
1 1 1    1   15   27 o  205.879   5.6237  286.987   13.578  285.559   15.657  291.319   27.266  205.071   5.6340  206.687   9.7346 -1.616562 11.24743 
1 1 1    1   15   28 o  148.170   7.2954  149.306   14.648  149.306   14.648   0.0000   0.0000  148.170   7.2954  ?   ?       ?      ? 
1 1 1    1   15   29 o  172.928   5.6867  203.087   13.326  203.087   13.326   0.0000   0.0000  172.928   5.6867  ?   ?       ?      ? 
1 1 1    1   15   30 o  142.988   6.5951  156.240   10.424  172.488   12.109  109.742   20.484  159.370   5.6069  126.607   11.939 32.76215 13.19028 
1 1 1    1   15   31 f  150.690   5.8203  154.248   11.885  154.248   11.885   0.0000   0.0000  150.690   5.8203  ?   ?       ?      ? 
1 1 1    1   15   32 o  166.740   5.8203  188.869   13.151  188.869   13.151   0.0000   0.0000  166.740   5.8203  ?   ?       ?      ? 
1 1 1    1   15   33 o  123.000   5.9882   93.110   8.8338   83.160   10.111  125.197   18.157  110.588   6.7469  135.412   9.8950 -24.82423 11.97633 
1 1 1    1   15   34 o  195.203   5.6008  252.081   12.969  244.547   14.957  274.903   26.033  189.720   5.8177  200.686   9.5725 -10.96609 11.20170 
1 1 1    1   15   35 o  164.458   5.9029  191.551   11.597  200.596   13.699  168.668   21.790  171.817   5.8835  157.098   10.235 14.71843 11.80570 
1 1 1    1   15   36 o  119.857   6.4808  100.735   9.2235  103.874   10.810   92.330   17.687  123.599   6.4538  116.115   11.241 7.483719 12.96161 
1 1 1    1   15   37 o  178.938   5.5988  214.680   11.966  210.927   13.892  225.471   23.556  176.178   5.8189  181.698   9.5669 -5.519913 11.19756 
1 1 1    1   15   38 o  155.679   5.8276  165.084   10.952  164.930   12.846  165.496   20.959  155.760   6.0859  155.599   9.9400 0.1607056 11.65514 
1 1 1    1   15   39 o  166.986   6.0831  187.674   13.243  181.203   16.474  199.492   22.265  163.115   7.4530  170.858   9.6160 -7.743774 12.16615 
1 1 1    1   15   40 o  108.155   7.2319   81.934   10.203   88.152   13.094   72.326   16.277  113.667   8.5007  102.643   11.702 11.02457 14.46384 
1 1 1    1   15   41 o  258.611   6.2143  458.614   20.788  463.344   25.883  450.016   34.893  260.802   7.3235  256.420   10.042 4.381409 12.42861 
1 1 1    1   15   42 o  152.390   7.1274  158.570   14.603  132.883   20.068  187.484   21.291  139.217   10.637  165.562   9.4896 -26.34502 14.25483 
1 1 1    1   15   43 o  100.560   6.9353   69.715   8.6246   70.417   10.309   68.080   15.744  101.630   7.4853   99.491   11.678 2.138969 13.87066 
1 1 1    1   15   44 o  110.751   7.1218   83.779   10.487   82.486   13.532   85.722   16.593  109.806   9.0942  111.697   10.962 -1.891518 14.24353 
1 1 1    1   15   45 o  147.683   6.3809  148.825   11.741  150.421   21.345  148.133   14.059  147.959   10.646  147.407   7.0382 0.5525208 12.76187 
1 1 1    1   15   46 o   94.187   5.9422   60.848   7.5436   58.767   11.151   62.603   10.243   92.647   8.8819   95.727   7.8962 -3.079941 11.88442 
1 1 1    1   15   47 o  132.264   5.2201  120.285   9.2884  106.816   13.389  132.779   12.896  125.003   7.9042  139.526   6.8206 -14.52330 10.44014 
1 1 1    1   15   48 o   65.337   8.0694   31.252   6.7147   23.919   10.281   36.707   8.8672   57.516   13.434   73.157   8.9443 -15.64073 16.13879 
1 1 1    1   15   49 o  220.226   4.9108  330.907   14.647  340.566   21.162  322.024   20.294  223.296   6.9933  217.156   6.8962 6.139908 9.821630 
1 1 1    1   15   50 o  175.609   5.9505  210.471   13.652  207.454   17.112  215.754   22.643  174.168   7.2503  177.050   9.4375 -2.882187 11.90096 
1 1 1    1   15   51 o  109.184   6.6896   80.735   9.6501   76.110   12.202   88.457   15.768  105.250   8.5552  113.118   10.287 -7.867851 13.37928 
1 1 1    1   15   52 o   96.673   6.1054   65.412   7.8505   53.426   11.423   76.140   10.807   87.963   9.5833  105.382   7.5674 -17.41848 12.21084 
1 1 1    1   15   53 o   84.205   6.4882   49.644   7.2929   42.000   10.647   56.401   10.010   77.846   10.092   90.563   8.1564 -12.71655 12.97635 
1 1 1    1   15   54 o  108.433   5.6149   81.528   8.1822   73.354   11.937   88.772   11.237  103.137   8.5408  113.728   7.2914 -10.59120 11.22985 
1 1 1    1   15   55 o  113.812   7.5225   89.079   11.602   0.0000   0.0000   89.079   11.602  ?   ?   113.812   7.5225      ?      ? 
1 1 1    1   15   56 o  121.731   5.3187  102.535   8.7287   94.363   12.637  109.990   12.071  116.950   7.9740  126.512   7.0406 -9.562683 10.63744 
1 1 1    1   15   57 o   96.975   7.2908   66.731   9.1375   69.112   11.464   62.585   15.131   99.884   8.4695   94.065   11.870 5.819672 14.58169 
1 1 1    1   15   58 o  105.661   6.8930   78.990   9.5560   82.149   12.244   74.068   15.285  108.848   8.3007  102.474   11.007 6.373779 13.78605 
1 1 1    1   15   59 o  116.225   5.5133   93.680   8.6429   92.359   12.802   94.786   11.716  115.340   8.1904  117.110   7.3827 -1.769798 11.02660 
1 1 1    1   15   60 o   81.887   8.0525   44.568   8.0378   55.469   15.805   40.766   9.3350   87.435   13.339   76.339   9.0238 11.09652 16.10497 
1 1 1    1   15   61 o   60.729   9.6994   32.191   7.7372   14.490   14.295   39.526   9.2017   46.393   17.161   75.065   9.0458 -28.67194 19.39879 
1 1 1    1   15   62 o  108.739   7.3544   88.300   9.7588   73.392   17.244   95.325   11.837  100.377   12.677  117.100   7.4591 -16.72301 14.70879 
1 1 1    1   15   63 o  100.427   7.2423   72.363   9.0730   70.753   16.221   73.097   10.945   98.585   12.142  102.268   7.8977 -3.683670 14.48456 
1 1 1    1   15   64 o   37.734   9.8345   9.4187   6.6810   3.1878   12.186   12.097   7.9887   35.020   14.836   40.447   12.914 -5.427181 19.66899 
1 1 1    1   15   65 o   66.997   15.381   35.643   13.669   0.0000   0.0000   35.643   13.669  ?   ?    66.997   15.381      ?      ? 
1 1 1    1   15   66 o   65.310   15.472   34.209   13.483   0.0000   0.0000   34.209   13.483  ?   ?    65.310   15.472      ?      ? 
1 1 1    1   15   67 o   55.738   11.345   25.448   9.2731   18.838   13.220   31.851   13.011   48.684   16.657   62.792   15.406 -14.10783 22.68971 
1 1 1    1   15   68 o   42.921   11.122   13.115   8.5417   17.325   12.498   9.4253   11.701   46.870   16.189   38.972   15.254 7.898766 22.24303 
1 1 1    1   15   69 o   53.739   11.241   23.927   8.8959   19.385   12.739   28.250   12.428   48.807   16.353   58.671   15.427 -9.863647 22.48143 
1 1 1    1   15   70 o   52.235   11.275   22.496   9.2090   31.053   12.918   13.653   13.132   61.295   15.533   43.175   16.348 18.12010 22.55059 
1 1 1    1   15   71 o   40.123   10.939   10.348   8.7473   16.247   12.173   4.0502   12.578   45.172   15.952   35.074   14.972 10.09872 21.87776 
1 1 1    1   15   72 o   77.395   10.150   48.004   10.385   50.184   14.323   45.589   15.078   80.575   13.118   74.215   15.493 6.359848 20.30050 
1 1 1    1   15   73 o   43.253   10.174   10.218   8.5477  -5.4505   11.563   29.099   12.693   28.027   12.955   58.480   15.690 -30.45296 20.34728 
1 1 1    1   15   74 o   38.905   10.747   10.411   8.3414   13.645   11.382   6.6590   12.260   41.698   15.332   36.112   15.062 5.585972 21.49312 
1 1 1    1   15   75 f   30.811   9.5492  -3.9184   8.1306 -14.4736   10.726   10.339   12.466   22.786   11.063   38.836   15.568 -16.04959 19.09837 
1 1 1    1   15   76 o   43.481   11.505   16.010   9.1041   16.918   11.742   14.642   14.416   44.353   15.667   42.610   16.852 1.742420 23.00926 
1 1 1    1   15   77 o   42.126   15.561   15.123   11.747   15.123   11.747   0.0000   0.0000   42.126   15.561  ?   ?       ?      ? 
1 1 1    1   15   78 o   31.139   9.8316   1.3239   8.4303   0.8337   11.463   1.9015   12.442   30.376   13.584   31.902   14.217 -1.525532 19.66314 
1 1 1    1   15   79 o   31.069   9.6148   0.5171   8.4120   10.093   11.313 -11.3259   12.581   36.535   14.765   25.603   12.319 10.93227 19.22961 
1 1 1    1   15   80 o   26.025   8.7083  -6.6247   8.1512  -4.7465   10.986  -8.9246   12.158   26.280   12.307   25.771   12.323 0.5088005 17.41660 
1 1 1    1   15   81 o   31.759   9.9689   4.0430   8.6273   6.4424   11.758   1.2444   12.698   32.993   14.284   30.526   13.910 2.467419 19.93788 
1 1 1    1   16    0 o  322.815   5.3788  704.637   23.450  663.709   31.604  754.769   34.977  312.463   7.4638  333.167   7.7472 -20.70355 10.75763 
1 1 1    1   16    1 o  367.078   6.8915  896.752   31.539  865.305   37.511  972.616   58.262  356.727   7.7595  377.428   11.391 -20.70081 13.78291 
1 1 1    1   16    2 o  252.948   6.2476  440.275   19.757  448.143   23.852  423.073   35.265  256.820   6.8535  249.076   10.448 7.744171 12.49520 
1 1 1    1   16    3 o  171.473   6.2470  204.206   13.225  210.396   15.869  190.135   23.925  175.984   6.6544  166.961   10.574 9.022125 12.49395 
1 1 1    1   16    4 o  168.943   6.1505  191.641   12.835  187.995   15.214  200.645   23.907  166.344   6.7492  171.542   10.284 -5.198380 12.30102 
1 1 1    1   16    5 o  304.228   6.4149  611.375   24.266  584.674   28.748  677.546   45.256  293.292   7.2331  315.164   10.596 -21.87125 12.82972 
1 1 1    1   16    6 o  270.372   5.0995  498.013   18.639  528.734   26.087  465.974   26.642  278.946   6.9013  261.799   7.5095 17.14706 10.19901 
1 1 1    1   16    7 o  133.149   5.2645  119.222   9.4446  108.150   12.570  133.577   14.312  126.132   7.3540  140.166   7.5351 -14.03410 10.52896 
1 1 1    1   16    8 o  150.593   5.0602  153.691   10.287  149.269   13.872  159.095   15.335  148.209   6.9068  152.977   7.3971 -4.767654 10.12037 
1 1 1    1   16    9 o  205.434   4.9027  286.579   13.624  283.213   18.669  290.414   19.927  204.160   6.7480  206.707   7.1140 -2.547256 9.805323 
1 1 1    1   16   10 o  223.746   4.9168  340.312   14.879  341.606   20.436  338.852   21.706  224.221   6.7258  223.272   7.1740 0.9486694 9.833694 
1 1 1    1   16   11 o  140.860   5.2008  135.583   9.8733  144.049   13.564  126.043   14.399  145.591   6.8752  136.129   7.8054 9.461548 10.40158 
1 1 1    1   16   12 o   72.839   7.4662   37.661   6.9827   44.049   9.4631   30.027   10.346   80.436   8.6816   65.241   12.149 15.19561 14.93231 
1 1 1    1   16   13 o  140.864   6.1750  139.440   9.6939  142.942   11.021  127.469   20.375  145.099   5.6051  136.628   11.005 8.471085 12.34992 
1 1 1    1   16   14 o  174.022   5.6950  200.884   11.291  196.662   12.799  215.695   23.972  170.195   5.5494  177.848   9.9467 -7.652359 11.39003 
1 1 1    1   16   15 o  152.481   5.6999  149.405   10.027  142.068   11.361  175.262   21.327  144.641   5.7960  160.321   9.8164 -15.68036 11.39982 
1 1 1    1   16   16 o  125.355   6.5725  102.611   10.370   95.689   12.352  119.151   19.092  118.603   7.6850  132.107   10.665 -13.50337 13.14497 
1 1 1    1   16   17 o  105.786   7.5142   81.690   9.6244   90.035   11.660   63.847   17.050  115.055   7.4782   96.516   13.036 18.53832 15.02849 
1 1 1    1   16   18 f  125.730   6.1622   99.859   9.0509   93.037   10.278  123.413   19.098  117.010   6.4822  134.451   10.482 -17.44126 12.32445 
1 1 1    1   16   19 o  118.471   6.4019   92.616   8.6550   90.144   9.8065  101.324   18.408  115.184   6.2826  121.757   11.156 -6.573036 12.80376 
1 1 1    1   16   20 o  101.522   6.8012   69.632   7.9102   69.059   9.0170   71.546   16.479  100.800   6.6012  102.244   11.893 -1.444023 13.60230 
1 1 1    1   16   21 o  144.166   5.9244  141.421   9.9451  141.306   11.441  141.777   20.117  144.233   5.8535  144.099   10.302 0.1343536 11.84871 
1 1 1    1   16   22 o  263.121   5.8381  468.881   17.805  466.496   20.417  476.454   36.382  262.071   5.7490  264.171   10.163 -2.100555 11.67617 
1 1 1    1   16   23 o  171.574   5.9205  206.244   11.726  211.813   13.535  189.484   23.480  176.595   5.6559  166.553   10.403 10.04189 11.84110 
1 1 1    1   16   24 o  175.544   5.6987  201.606   11.606  194.370   13.220  225.926   24.236  169.156   5.7673  181.932   9.8304 -12.77580 11.39732 
1 1 1    1   16   25 o  141.694   6.5479  149.366   10.420  161.431   12.083  114.381   20.576  154.153   5.7843  129.234   11.749 24.91849 13.09575 
1 1 1    1   16   26 o  219.231   7.0905  326.955   21.065  326.955   21.065   0.0000   0.0000  219.231   7.0905  ?   ?       ?      ? 
1 1 1    1   16   27 o  155.186   6.0747  163.664   12.775  163.664   12.775   0.0000   0.0000  155.186   6.0747  ?   ?       ?      ? 
1 1 1    1   16   28 o  114.335   8.7071  113.869   9.8759  139.876   11.766   51.861   18.168  143.463   6.0521   85.208   16.329 58.25533 17.41424 
1 1 1    1   16   29 o  103.029   7.3313   69.497   9.7917   62.788   11.967   83.090   17.032   95.922   9.2062  110.136   11.412 -14.21419 14.66255 
1 1 1    1   16   30 o  121.235   6.7760  101.620   10.433  104.088   12.791   96.717   18.031  123.634   7.6345  118.836   11.197 4.798157 13.55198 
1 1 1    1   16   31 o  134.176   6.4426  119.948   11.099  114.138   13.520  131.954   19.437  129.451   7.7070  138.901   10.326 -9.449722 12.88511 
1 1 1    1   16   32 o   36.489   10.425   3.9941   7.7205   2.9984   9.6859   5.7289   12.785   33.354   13.595   39.623   15.807 -6.268486 20.84920 
1 1 1    1   16   33 o  191.915   7.4548  252.079   19.383  254.832   27.758  249.460   27.079  192.923   10.617  190.907   10.467 2.016510 14.90956 
1 1 1    1   16   34 o  125.461   12.213  108.182   20.765  108.182   20.765   0.0000   0.0000  125.461   12.213  ?   ?       ?      ? 
1 1 1    1   16   35 o   80.788   8.3742   44.532   9.1679   44.532   9.1679   0.0000   0.0000   80.788   8.3742  ?   ?       ?      ? 
1 1 1    1   16   36 o   61.023   9.6181   28.391   7.3006   31.682   8.6556   20.279   13.590   68.070   9.3833   53.976   16.792 14.09398 19.23615 
1 1 1    1   16   37 o  148.110   7.0900  150.193   14.220  148.766   19.704  151.745   20.544  147.402   9.8642  148.818   10.187 -1.416733 14.18008 
1 1 1    1   16   38 o   68.884   8.7301   29.640   7.4831   24.038   8.8399   43.806   14.056   58.124   11.629   79.644   13.024 -21.52046 17.46016 
1 1 1    1   16   39 o  113.187   6.3926   79.141   8.9565   68.375   10.430  109.376   17.479  100.103   7.6886  126.270   10.215 -26.16647 12.78511 
1 1 1    1   16   40 o   89.551   8.2021   56.887   9.6138   63.802   12.609   47.286   14.858   96.474   9.6446   82.628   13.269 13.84577 16.40421 
1 1 1    1   16   41 o  190.753   6.2364  252.927   15.508  264.367   19.694  234.255   25.160  196.812   7.3840  184.695   10.052 12.11667 12.47289 
1 1 1    1   16   42 o  105.492   6.6602   74.626   8.6644   72.282   10.233   80.560   16.283  102.892   7.3394  108.093   11.116 -5.201065 13.32035 
1 1 1    1   16   43 o   81.145   7.6806   42.879   7.7741   39.312   9.1701   51.992   14.658   75.713   8.9376   86.578   12.493 -10.86485 15.36118 
1 1 1    1   16   44 o  125.434   6.0803  102.038   9.3337   94.975   10.883  121.677   18.148  117.951   6.8090  132.917   10.076 -14.96650 12.16056 
1 1 1    1   16   45 o  119.592   6.5318  101.994   9.3473  106.651   11.054   90.306   17.512  124.999   6.5255  114.185   11.317 10.81443 13.06365 
1 1 1    1   16   46 o   88.702   7.2925   47.529   7.9884   39.001   9.2591   72.358   15.799   75.294   9.0745  102.109   11.418 -26.81483 14.58491 
1 1 1    1   16   47 o   29.451   12.283   1.5335   8.1513   1.5335   8.1513   0.0000   0.0000   29.451   12.283  ?   ?       ?      ? 
1 1 1    1   16   48 o  128.120   6.5018  115.704   10.031  118.864   11.846  107.692   18.859  131.829   6.6308  124.412   11.186 7.416916 13.00364 
1 1 1    1   16   49 o  110.862   6.8948   87.609   9.1829   90.863   10.863   79.458   17.190  115.161   6.9607  106.563   11.904 8.597954 13.78958 
1 1 1    1   16   50 o   47.171   10.500   13.829   7.4704   8.3733   9.2922   23.800   12.562   37.707   13.855   56.636   15.780 -18.92898 20.99915 
1 1 1    1   16   51 o   52.726   8.4313   21.201   6.1558   11.369   9.3598   28.696   8.1719   41.128   14.016   64.324   9.3749 -23.19599 16.86265 
1 1 1    1   16   52 o   55.187   8.5123   23.125   6.2674   15.527   9.7139   28.544   8.2033   46.291   14.164   64.083   9.4464 -17.79127 17.02466 
1 1 1    1   16   53 f   53.662   8.6641   20.787   6.1299   24.714   9.3908   17.871   8.0917   58.037   12.321   49.288   12.184 8.749542 17.32811 
1 1 1    1   16   54 o   42.334   8.5800   11.118   6.8884   24.564   8.9897  -8.0042   10.721   57.906   11.855   26.761   12.406 31.14495 17.15992 
1 1 1    1   16   55 o   53.327   9.5584   19.814   7.1577   11.434   9.2770   32.141   11.251   40.786   13.954   65.868   13.067 -25.08197 19.11674 
1 1 1    1   16   56 o   42.492   10.218   6.1886   6.6716   25.960   13.984   0.3626   7.5911   57.882   16.824   27.103   11.602 30.77975 20.43681 
1 1 1    1   16   57 o   52.954   10.216   22.579   7.1489   15.779   14.487   24.767   8.2193   47.685   17.334   58.222   10.816 -10.53665 20.43113 
1 1 1    1   16   58 o  107.368   7.3816   83.974   9.5886   77.178   17.725   86.786   11.401  102.999   12.699  111.737   7.5293 -8.737404 14.76324 
1 1 1    1   16   59 o   57.103   10.219   22.513   7.2044   32.481   14.127   19.009   8.3754   64.034   16.252   50.173   12.392 13.86118 20.43730 
1 1 1    1   16   60 o   79.477   8.9510   49.376   8.2157   41.166   15.079   52.842   9.7976   72.222   15.843   86.733   8.3359 -14.51052 17.90210 
1 1 1    1   16   61 f   87.990   8.6730   62.818   8.7095   43.720   15.152   72.241   10.643   74.423   15.526  101.557   7.7337 -27.13390 17.34593 
1 1 1    1   16   62 o   60.553   15.770   29.538   13.068   0.0000   0.0000   29.538   13.068  ?   ?    60.553   15.770      ?      ? 
1 1 1    1   16   63 o   75.497   14.011   44.313   13.807   0.0000   0.0000   44.313   13.807  ?   ?    75.497   14.011      ?      ? 
1 1 1    1   16   64 o   44.377   11.073   14.550   8.7010   7.5822   12.833   20.480   11.838   38.383   15.647   50.372   15.673 -11.98937 22.14646 
1 1 1    1   16   65 o   33.418   9.9631   1.2348   8.0905   9.9386   11.899  -6.2484   11.033   39.511   15.405   27.325   12.639 12.18624 19.92617 
1 1 1    1   16   66 o   25.142   8.3733  -8.7534   7.3229  -7.6053   10.892  -9.7005   9.8924   26.375   12.320   23.909   11.343 2.465572 16.74666 
1 1 1    1   16   67 o   38.825   10.741   9.6922   8.2035   9.3297   11.527   10.064   11.678   38.448   15.112   39.201   15.268 -0.7531662 21.48197 
1 1 1    1   16   68 o   59.373   11.368   29.760   9.3896   27.366   13.167   32.238   13.394   56.770   16.274   61.976   15.877 -5.206093 22.73611 
1 1 1    1   16   69 o   27.974   9.0888  -4.9923   7.9256  -2.1907   11.136  -7.8684   11.283   29.375   13.241   26.573   12.454 2.801662 18.17758 
1 1 1    1   16   70 o   58.469   11.386   29.269   9.3380   25.546   12.814   33.487   13.637   54.396   16.185   62.541   16.019 -8.144508 22.77221 
1 1 1    1   16   71 o   42.372   11.074   13.995   8.7220   18.736   11.758   8.1949   13.005   46.986   15.712   37.758   15.611 9.227146 22.14865 
1 1 1    1   16   72 o   42.914   10.533   12.557   8.4567   0.9832   11.497   26.202   12.483   31.263   13.813   54.566   15.906 -23.30330 21.06625 
1 1 1    1   16   73 o   51.013   11.410   23.727   9.2270   29.557   12.430   16.572   13.770   57.943   15.519   44.084   16.729 13.85920 22.81930 
1 1 1    1   16   74 o   42.677   11.235   14.095   9.0203   6.5459   12.008   23.872   13.665   34.969   14.766   50.385   16.937 -15.41605 22.46989 
1 1 1    1   16   75 o   48.359   16.222   21.937   12.536   21.937   12.536   0.0000   0.0000   48.359   16.222  ?   ?       ?      ? 
1 1 1    1   16   76 o   34.482   14.583   7.1397   11.743   7.1397   11.743   0.0000   0.0000   34.482   14.583  ?   ?       ?      ? 
1 1 1    1   16   77 o   36.324   10.634   8.7786   8.7559   2.5651   11.855   16.237   12.988   31.113   13.871   41.534   16.122 -10.42182 21.26755 
1 1 1    1   16   78 o   27.986   9.2022  -2.7839   8.4677  -0.7411   11.700  -5.0306   12.270   28.740   13.192   27.233   12.833 1.507116 18.40443 
1 1 1    1   17    0 o  185.031   5.0619  233.438   12.639  240.258   17.255  225.543   18.565  187.990   6.7732  182.072   7.5242 5.918732 10.12375 
1 1 1    1   17    1 o  147.016   5.2678  147.542   10.432  152.220   14.135  141.949   15.458  149.620   6.9717  144.411   7.8990 5.208435 10.53559 
1 1 1    1   17    2 o  121.467   5.5954  100.353   9.1531   99.756   12.263  101.105   13.754  121.090   7.4733  121.846   8.3296 -0.7561569 11.19073 
1 1 1    1   17    3 o  112.740   5.7412   86.647   8.6982   87.415   11.606   85.664   13.138  113.346   7.5562  112.133   8.6457 1.213120 11.48237 
1 1 1    1   17    4 o   97.952   6.2078   64.478   8.1741   58.485   10.759   72.658   12.570   92.657   8.5690  103.248   8.9843 -10.59115 12.41555 
1 1 1    1   17    5 o  165.070   5.1047  184.848   11.373  180.174   15.330  190.570   16.962  162.779   6.9496  167.361   7.4788 -4.582947 10.20931 
1 1 1    1   17    6 o  244.722   5.0254  406.454   16.630  395.120   22.661  419.682   24.481  241.054   6.9372  248.390   7.2729 -7.335693 10.05082 
1 1 1    1   17    7 o   74.470   7.5466   37.462   7.5711   33.716   10.076   42.320   11.474   70.248   10.584   78.692   10.760 -8.444016 15.09315 
1 1 1    1   17    8 o  118.938   6.7838   96.382   10.620   97.063   17.227   95.964   13.488  119.181   10.666  118.696   8.3852 0.4846649 13.56764 
1 1 1    1   17    9 o  164.830   6.2726  186.825   13.433  179.246   22.198  191.205   16.874  162.023   10.110  167.637   7.4277 -5.613770 12.54521 
1 1 1    1   17   10 o  111.848   7.0845   86.108   10.305   82.862   17.002   87.993   12.957  110.043   11.401  113.653   8.4126 -3.610176 14.16910 
1 1 1    1   17   11 o  114.489   5.7850   88.287   8.9250   77.987   11.943  101.313   13.431  107.005   8.2364  121.972   8.1257 -14.96626 11.57002 
1 1 1    1   17   12 o  144.599   5.2884  141.430   10.321  133.274   13.857  151.592   15.467  139.959   7.3060  149.238   7.6481 -9.279449 10.57686 
1 1 1    1   17   13 o  172.094   5.9901  199.806   11.577  198.256   13.089  205.378   24.811  170.842   5.6537  173.346   10.562 -2.504227 11.98010 
1 1 1    1   17   14 o  230.226   5.8574  353.389   15.342  347.110   17.395  375.372   32.548  226.050   5.6786  234.402   10.246 -8.351913 11.71484 
1 1 1    1   17   15 o  176.883   5.9630  208.770   12.070  205.040   13.719  221.540   25.387  173.722   5.8276  180.045   10.405 -6.322876 11.92602 
1 1 1    1   17   16 o  204.617   5.8310  271.784   13.762  260.441   15.615  311.239   29.122  195.781   5.8856  213.452   10.068 -17.67039 11.66204 
1 1 1    1   17   17 o  225.335   5.9707  350.543   15.579  354.849   17.937  337.319   31.435  228.534   5.7919  222.135   10.443 6.398895 11.94133 
1 1 1    1   17   18 o  155.234   6.4712  173.034   11.428  181.199   13.185  148.372   22.915  163.292   5.9585  147.177   11.489 16.11523 12.94246 
1 1 1    1   17   19 o  151.324   6.2300  149.350   10.769  143.853   12.181  169.024   23.045  145.475   6.1791  157.172   10.820 -11.69722 12.45994 
1 1 1    1   17   20 o   37.977   12.703   9.3433   7.6865   9.3433   7.6865   0.0000   0.0000   37.977   12.703  ?   ?       ?      ? 
1 1 1    1   17   21 o  102.673   6.8622   71.718   9.5477   71.718   9.5477   0.0000   0.0000  102.673   6.8622  ?   ?       ?      ? 
1 1 1    1   17   22 o   90.944   7.9480   58.175   8.0744   59.412   9.1823   53.956   16.957   93.424   7.2529   88.463   14.145 4.961037 15.89596 
1 1 1    1   17   23 o   55.776   9.9947   21.757   6.8401   21.518   7.8955   22.477   13.695   55.114   10.957   56.438   16.719 -1.323807 19.98940 
1 1 1    1   17   24 o  103.954   6.9184   76.503   8.3721   79.263   9.7286   68.623   16.437  107.941   6.6509   99.968   12.133 7.972878 13.83675 
1 1 1    1   17   25 o  118.854   6.9833  107.437   9.3093  118.693   10.879   76.646   17.993  132.126   6.0757  105.581   12.576 26.54516 13.96652 
1 1 1    1   17   26 o  135.957   6.4437  135.296   9.9818  144.413   11.596  109.209   19.614  145.751   5.8708  126.164   11.472 19.58694 12.88738 
1 1 1    1   17   27 o   76.361   8.0376   36.213   7.4279   32.164   8.5434   48.752   15.034   68.614   9.1884   84.108   13.190 -15.49448 16.07516 
1 1 1    1   17   28 o   70.986   8.5964   32.958   7.3171   30.092   8.5506   40.796   14.142   66.339   9.5113   75.633   14.322 -9.293335 17.19279 
1 1 1    1   17   29 o  150.936   5.9954  154.735   10.649  153.937   12.303  157.117   21.262  150.442   6.0348  151.429   10.361 -0.9871521 11.99071 
1 1 1    1   17   30 o   90.572   8.6088   65.029   8.2745   72.831   9.6561   43.464   16.053  103.411   6.8905   77.732   15.779 25.67953 17.21764 
1 1 1    1   17   31 o   97.600   6.6989   58.076   8.0208   49.754   9.2742   82.773   15.977   85.383   8.0153  109.817   10.736 -24.43418 13.39780 
1 1 1    1   17   32 o   44.965   11.312   11.195   9.2310   18.959   12.668   2.4038   13.479   52.135   16.211   37.794   15.781 14.34069 22.62431 
1 1 1    1   17   33 o  165.456   6.0189  188.171   11.892  189.355   13.888  184.916   23.023  166.786   6.1447  164.127   10.351 2.659363 12.03785 
1 1 1    1   17   34 o   93.836   6.9966   52.391   8.1253   42.121   9.4278   82.048   16.021   78.449   8.8683  109.223   10.824 -30.77354 13.99323 
1 1 1    1   17   35 o   80.886   8.8631   46.932   9.0879   50.232   11.641   41.781   14.542   85.521   10.045   76.251   14.605 9.269455 17.72612 
1 1 1    1   17   36 o   60.548   10.292   27.486   8.6327   34.142   11.124   17.410   13.688   70.304   11.676   50.792   16.952 19.51204 20.58388 
1 1 1    1   17   37 o  138.912   6.0055  128.475   9.9997  124.434   11.599  140.174   19.735  135.108   6.3351  142.715   10.204 -7.607422 12.01091 
1 1 1    1   17   38 o  106.402   6.8911   76.786   8.7742   75.571   10.207   80.226   17.175  105.179   7.1610  107.626   11.776 -2.447357 13.78222 
1 1 1    1   17   39 o   93.766   9.6304   70.732   10.343   88.459   13.018   40.377   17.035  113.573   8.4582   73.958   17.304 39.61480 19.26084 
1 1 1    1   17   40 o   72.271   11.783   36.275   11.540   36.275   11.540   0.0000   0.0000   72.271   11.783  ?   ?       ?      ? 
1 1 1    1   17   41 o   31.168   9.3652  -0.3965   6.5219  -2.7963   7.9080   4.7066   11.532   25.471   11.344   36.865   14.905 -11.39446 18.73049 
1 1 1    1   17   42 o  104.733   7.4222   75.157   10.534   75.157   10.534   0.0000   0.0000  104.733   7.4222  ?   ?       ?      ? 
1 1 1    1   17   43 o  145.815   8.1166  146.129   16.038  146.129   16.038   0.0000   0.0000  145.815   8.1166  ?   ?       ?      ? 
1 1 1    1   17   44 o   77.581   7.9131   41.245   7.6985   40.086   9.2232   43.906   13.979   76.214   8.9303   78.948   13.066 -2.733551 15.82629 
1 1 1    1   17   45 o   86.314   8.0656   56.770   8.0153   62.805   9.6537   43.376   14.381   95.619   7.4501   77.008   14.308 18.61131 16.13113 
1 1 1    1   17   46 o   96.319   6.9463   66.853   8.1802   70.533   9.8374   58.607   14.727  101.339   7.1635   91.298   11.903 10.04012 13.89259 
1 1 1    1   17   47 o   85.879   7.5079   52.875   7.7954   54.651   9.2535   48.534   14.468   89.066   7.6668   82.691   12.911 6.374908 15.01583 
1 1 1    1   17   48 o   88.978   6.9209   54.604   7.6829   53.654   9.1903   56.807   14.000   88.193   7.6898   89.764   11.509 -1.571022 13.84185 
1 1 1    1   17   49 f   22.943   7.6731  -9.2848   6.2075  -7.9598   8.0239 -11.2597   9.7965   22.194   10.434   23.692   11.254 -1.497826 15.34617 
1 1 1    1   17   50 o   41.651   9.7288   11.985   6.8877   17.576   8.9580   3.9007   10.772   48.623   13.239   34.680   14.259 13.94377 19.45761 
1 1 1    1   17   51 o   53.889   10.175   22.350   7.5565   24.607   9.7099   18.884   12.033   57.504   12.791   50.274   15.828 7.230438 20.34988 
1 1 1    1   17   52 o   42.350   10.580   12.189   7.5816   13.317   10.848   11.112   10.601   43.606   15.081   41.094   14.844 2.511856 21.16087 
1 1 1    1   17   53 o   64.002   9.9115   31.049   8.3364   30.706   11.328   31.455   12.313   63.822   13.518   64.182   14.499 -0.3605461 19.82296 
1 1 1    1   17   54 o   61.834   10.421   28.686   8.5801   23.142   11.232   36.454   13.295   54.743   14.790   68.924   14.684 -14.18126 20.84181 
1 1 1    1   17   55 o   37.725   10.828   6.4085   8.5350   7.1783   13.301   5.8696   11.128   39.269   15.960   36.181   14.637 3.088253 21.65566 
1 1 1    1   17   56 o   55.217   10.360   23.483   7.3006   23.818   14.118   23.361   8.5295   54.578   17.138   55.856   11.646 -1.278053 20.72057 
1 1 1    1   17   57 o   89.457   7.6367   56.895   8.4910   60.106   15.564   55.535   10.131   90.143   12.742   88.772   8.4219 1.370888 15.27335 
1 1 1    1   17   58 o   37.365   10.039   5.5221   6.5893   16.972   12.615   1.2256   7.7273   47.044   16.263   27.686   11.775 19.35747 20.07852 
1 1 1    1   17   59 o   52.472   15.423   22.114   11.694   0.0000   0.0000   22.114   11.694  ?   ?    52.472   15.423      ?      ? 
1 1 1    1   17   60 o   34.055   14.106   4.6107   10.647   0.0000   0.0000   4.6107   10.647  ?   ?    34.055   14.106      ?      ? 
1 1 1    1   17   61 o   40.102   10.791   9.3482   8.2660   17.191   12.794   3.7290   10.830   46.755   16.366   33.448   14.067 13.30753 21.58131 
1 1 1    1   17   62 f   61.637   10.728   32.090   9.2034   21.434   13.765   40.704   12.377   50.841   16.999   72.433   13.091 -21.59220 21.45566 
1 1 1    1   17   63 o   32.511   9.9094   2.1532   7.9069   2.5275   11.693   1.8377   10.733   33.279   14.326   31.743   13.695 1.536135 19.81876 
1 1 1    1   17   64 o   55.258   11.080   25.410   8.9874   17.677   12.601   33.416   12.822   46.700   16.248   63.816   15.068 -17.11678 22.15967 
1 1 1    1   17   65 o   67.227   10.787   37.341   9.6172   33.623   13.462   41.217   13.744   63.297   15.756   71.156   14.738 -7.858807 21.57472 
1 1 1    1   17   66 o   42.939   10.701   12.512   8.6000   24.161   12.421   1.7869   11.919   53.209   15.959   32.669   14.260 20.53971 21.40162 
1 1 1    1   17   67 o   35.803   10.186   6.2800   8.0192   13.201   11.166  -1.0910   11.524   41.313   15.187   30.294   13.578 11.01885 20.37181 
1 1 1    1   17   68 o   38.589   10.200   8.6781   8.1370   19.540   11.368  -2.7320   11.652   47.828   15.420   29.351   13.355 18.47677 20.39919 
1 1 1    1   17   69 o   37.296   10.659   8.9656   8.3066   7.7279   11.224   10.464   12.351   35.838   14.625   38.753   15.510 -2.915199 21.31759 
1 1 1    1   17   70 o   27.526   8.9984  -4.9136   7.9987  -0.9799   10.882  -9.5371   11.797   29.110   13.109   25.942   12.330 3.167854 17.99676 
1 1 1    1   17   71 o   30.680   9.7039   0.5817   8.2684   1.5276   11.158  -0.5704   12.314   30.735   13.592   30.624   13.853 0.1114864 19.40787 
1 1 1    1   17   72 o   33.285   10.197   4.1954   8.7161   8.8098   11.678  -1.6069   13.096   36.032   14.835   30.538   13.995 5.493877 20.39482 
1 1 1    1   17   73 o   47.115   16.136   21.399   12.406   21.399   12.406   0.0000   0.0000   47.115   16.136  ?   ?       ?      ? 
1 1 1    1   17   74 o   46.050   11.606   20.695   9.3623   14.278   12.757   28.186   13.783   39.796   15.816   52.305   16.990 -12.50851 23.21223 
1 1 1    1   17   75 o   38.159   10.980   13.026   8.9210   12.429   12.639   13.620   12.593   37.695   15.466   38.624   15.589 -0.9285507 21.95986 
1 1 1    1   18    0 o  120.406   7.4365  104.616   11.428   78.721   18.057  121.916   14.759  107.062   12.446  133.750   8.1431 -26.68806 14.87298 
1 1 1    1   18    1 o  197.037   5.2066  262.492   13.854  237.851   18.743  292.164   20.568  186.910   7.3999  207.164   7.3265 -20.25385 10.41326 
1 1 1    1   18    2 o  195.367   5.1903  260.561   13.696  271.143   18.869  248.778   19.910  199.616   6.9753  191.118   7.6877 8.497421 10.38055 
1 1 1    1   18    3 o  195.051   5.2338  259.018   13.770  258.934   18.603  259.120   20.480  195.061   7.0376  195.041   7.7486 0.2037048E-01 10.46756 
1 1 1    1   18    4 o  246.696   5.1910  413.259   17.308  400.596   23.491  428.295   25.598  242.604   7.1453  250.788   7.5320 -8.184433 10.38206 
1 1 1    1   18    5 o  208.900   5.1276  295.834   14.466  283.125   19.512  311.346   21.556  203.964   7.0592  213.835   7.4389 -9.871536 10.25524 
1 1 1    1   18    6 o  110.938   6.1269   84.858   9.0879   91.026   12.194   77.151   13.630  115.594   7.7844  106.283   9.4636 9.310753 12.25383 
1 1 1    1   18    7 o  120.610   5.8220   96.977   9.4042   80.590   12.342  119.658   14.521  108.717   8.3776  132.502   8.0869 -23.78447 11.64394 
1 1 1    1   18    8 o  130.458   5.6574  116.219   9.9073  117.757   13.188  114.225   15.011  131.506   7.4002  129.410   8.5594 2.095322 11.31488 
1 1 1    1   18    9 o   83.796   7.1545   47.636   8.0649   45.040   10.667   51.100   12.321   81.184   9.6964   86.408   10.523 -5.223488 14.30894 
1 1 1    1   18   10 o  134.636   5.5273  124.042   10.017  128.849   13.570  118.285   14.849  137.565   7.2791  131.708   8.3199 5.857513 11.05469 
1 1 1    1   18   11 o   67.160   8.4550   31.311   7.4810   30.232   9.9567   32.709   11.337   66.420   11.062   67.899   12.790 -1.478096 16.90998 
1 1 1    1   18   12 f  103.480   8.4129   76.623   10.192   80.068   11.911   67.201   19.696  108.372   8.1102   98.588   14.742 9.784203 16.82590 
1 1 1    1   18   13 o  117.379   6.4692   93.725   10.290   93.725   10.290   0.0000   0.0000  117.379   6.4692  ?   ?       ?      ? 
1 1 1    1   18   14 o  184.967   5.7366  232.551   14.379  232.551   14.379   0.0000   0.0000  184.967   5.7366  ?   ?       ?      ? 
1 1 1    1   18   15 o  225.539   6.2294  356.230   15.695  363.490   17.840  331.367   33.013  231.250   5.6927  219.828   11.082 11.42220 12.45879 
1 1 1    1   18   16 o  139.406   6.6202  135.184   10.205  136.979   11.534  128.714   21.897  141.930   5.9968  136.882   11.805 5.048264 13.24048 
1 1 1    1   18   17 o  124.568   6.9071  112.278   9.5159  117.336   10.854   95.470   19.785  131.348   6.0978  117.788   12.395 13.55972 13.81411 
1 1 1    1   18   18 o   58.591   10.125   20.375   6.9845   16.360   7.9014   34.728   14.938   47.861   12.159   69.321   16.194 -21.46004 20.25057 
1 1 1    1   18   19 o   73.199   9.8081   43.486   7.6642   47.972   8.7060   28.034   16.157   83.884   7.6588   62.514   18.059 21.37003 19.61627 
1 1 1    1   18   20 o   84.898   7.5357   42.204   7.5388   35.914   8.5081   65.183   16.263   72.511   8.6586   97.285   12.336 -24.77384 15.07135 
1 1 1    1   18   21 o   69.290   9.0404   25.025   7.3113   16.889   8.2179   55.918   16.012   48.593   12.430   89.988   13.131 -41.39502 18.08088 
1 1 1    1   18   22 o  118.829   6.8642   99.292   9.3202  101.675   10.705   91.825   18.949  122.207   6.4638  115.452   12.112 6.755775 13.72847 
1 1 1    1   18   23 o   72.249   9.0955   35.557   7.5068   34.446   8.6131   39.070   15.311   70.967   8.9562   73.531   15.833 -2.564140 18.19095 
1 1 1    1   18   24 o   81.802   8.9744   50.851   7.9792   54.543   9.2269   39.899   15.890   89.407   7.6155   74.198   16.253 15.20937 17.94888 
1 1 1    1   18   25 o  117.669   6.7372   95.802   9.2904   96.745   10.755   93.027   18.441  119.160   6.6603  116.177   11.713 2.983536 13.47444 
1 1 1    1   18   26 o  116.975   6.9703   99.510   9.5109  105.924   11.160   82.494   18.179  124.678   6.6054  109.272   12.276 15.40575 13.94059 
1 1 1    1   18   27 f  110.498   8.1016   83.863   12.105   77.051   16.564   91.671   17.733  105.684   11.566  115.313   11.348 -9.629684 16.20328 
1 1 1    1   18   28 o   87.815   7.5152   49.603   8.0099   45.687   9.2758   61.087   15.883   81.710   8.3771   93.921   12.479 -12.21164 15.03039 
1 1 1    1   18   29 o  171.113   6.4268  202.588   14.116  206.569   17.474  195.108   23.950  173.900   7.4148  168.326   10.499 5.573914 12.85366 
1 1 1    1   18   30 o  141.481   6.9393  142.521   12.465  153.628   15.536  122.453   20.883  149.901   7.6479  133.061   11.581 16.83983 13.87851 
1 1 1    1   18   31 o   79.794   9.8477   49.442   9.5544   59.377   12.062   32.711   15.653   92.924   9.5789   66.663   17.209 26.26103 19.69541 
1 1 1    1   18   32 o  101.066   7.2018   72.068   8.5855   73.897   10.018   67.007   16.661  103.987   7.1092   98.145   12.527 5.842476 14.40352 
1 1 1    1   18   33 o   36.513   9.8881   6.8501   6.7381   9.5670   7.9286  -0.2146   12.785   38.188   12.901   34.838   14.989 3.349781 19.77622 
1 1 1    1   18   34 o   82.764   8.2530   48.621   7.8679   49.095   9.1860   47.317   15.244   84.613   8.0113   80.916   14.431 3.697403 16.50598 
1 1 1    1   18   35 o   94.778   7.6695   65.687   8.4684   69.550   9.9220   55.322   16.251  100.789   7.2644   88.767   13.510 12.02151 15.33905 
1 1 1    1   18   36 o   35.182   9.8988   5.1160   6.6314   5.3629   7.9101   4.5320   12.165   32.970   12.639   37.393   15.238 -4.422539 19.79762 
1 1 1    1   18   37 o   39.128   10.164   9.3152   6.8633   11.845   7.8993   1.5228   13.863   41.096   12.805   37.160   15.787 3.935844 20.32753 
1 1 1    1   18   38 o   40.511   12.635   11.521   7.6889   11.521   7.6889   0.0000   0.0000   40.511   12.635  ?   ?       ?      ? 
1 1 1    1   18   39 o   39.689   10.276   9.1168   6.6073   8.7263   7.7129   10.194   12.808   36.720   12.716   42.657   16.147 -5.936581 20.55263 
1 1 1    1   18   40 f   95.441   6.9871   61.667   8.0683   59.729   9.4175   67.016   15.644   93.210   7.4557   97.673   11.819 -4.463272 13.97411 
1 1 1    1   18   41 o  114.432   6.3960   84.881   8.8853   78.224   10.294  104.325   17.594  106.694   7.1200  122.171   10.627 -15.47727 12.79196 
1 1 1    1   18   42 o  106.846   6.5577   69.196   8.5375   57.928   9.8136  104.267   17.313   91.615   7.9045  122.077   10.466 -30.46223 13.11532 
1 1 1    1   18   43 o   44.872   10.410   14.568   7.4527   17.775   9.2505   8.6360   12.581   49.016   13.498   40.729   15.851 8.287151 20.81933 
1 1 1    1   18   44 o  124.189   6.7203  103.435   10.762   94.702   13.097  121.587   18.881  116.884   8.2686  131.494   10.596 -14.60922 13.44053 
1 1 1    1   18   45 o   85.232   13.911   52.638   16.067   52.638   16.067   0.0000   0.0000   85.232   13.911  ?   ?       ?      ? 
1 1 1    1   18   46 o   85.590   9.4647   51.334   10.978   51.334   10.978   0.0000   0.0000   85.590   9.4647  ?   ?       ?      ? 
1 1 1    1   18   47 o   59.741   9.5346   28.529   7.1581   31.761   8.5043   20.673   13.257   67.286   9.3267   52.195   16.633 15.09166 19.06927 
1 1 1    1   18   48 o   62.203   10.143   28.558   8.3924   21.386   10.992   38.583   12.995   52.856   14.773   71.551   13.904 -18.69441 20.28675 
1 1 1    1   18   49 o   61.970   9.7953   29.799   8.2122   36.296   11.008   21.646   12.332   71.082   11.428   52.859   15.912 18.22268 19.59070 
1 1 1    1   18   50 o  111.975   7.2752   91.289   10.659   98.749   13.811   80.297   16.764  118.594   8.5935  105.356   11.742 13.23790 14.55032 
1 1 1    1   18   51 o   74.540   9.1626   41.179   8.8828   40.072   11.500   42.816   13.986   74.420   11.403   74.661   14.345 -0.2407379 18.32513 
1 1 1    1   18   52 o   64.258   9.8769   31.888   8.2671   31.811   10.835   31.995   12.790   64.758   12.800   63.758   15.045 0.9998055 19.75378 
1 1 1    1   18   53 o   49.867   10.658   18.131   7.8968   12.015   10.135   27.582   12.599   41.038   14.548   58.696   15.580 -17.65774 21.31663 
1 1 1    1   18   54 o   44.639   11.434   14.668   9.1490   8.3469   14.781   18.593   11.649   40.711   16.717   48.566   15.603 -7.854794 22.86764 
1 1 1    1   18   55 o   57.200   18.089   27.604   15.704   27.604   15.704   0.0000   0.0000   57.200   18.089  ?   ?       ?      ? 
1 1 1    1   18   56 o   30.447   14.090  -7.1136   13.741  -7.1136   13.741   0.0000   0.0000   30.447   14.090  ?   ?       ?      ? 
1 1 1    1   18   57 o   27.046   12.168  -2.5597   9.3486  -2.5597   9.3486   0.0000   0.0000   27.046   12.168  ?   ?       ?      ? 
1 1 1    1   18   58 o   58.850   13.116   27.168   10.193   27.168   10.193   0.0000   0.0000   58.850   13.116  ?   ?       ?      ? 
1 1 1    1   18   59 o   56.435   13.377   25.261   10.074   25.261   10.074   0.0000   0.0000   56.435   13.377  ?   ?       ?      ? 
1 1 1    1   18   60 o   28.528   12.406   0.5976   8.9487   0.5976   8.9487   0.0000   0.0000   28.528   12.406  ?   ?       ?      ? 
1 1 1    1   18   61 o   51.851   16.502   22.893   13.053   22.893   13.053   0.0000   0.0000   51.851   16.502  ?   ?       ?      ? 
1 1 1    1   18   62 o   49.549   16.170   20.814   12.480   20.814   12.480   0.0000   0.0000   49.549   16.170  ?   ?       ?      ? 
1 1 1    1   18   63 o   43.063   11.025   14.573   8.3723   18.107   11.959   11.175   11.725   46.495   15.843   39.632   15.336 6.862934 22.05020 
1 1 1    1   18   64 o   36.234   10.385   7.3264   8.1054   2.9461   11.449   11.728   11.477   32.670   14.120   39.798   15.232 -7.128494 20.76948 
1 1 1    1   18   65 o   38.714   10.299   8.2130   8.2928  -3.2082   11.469   20.728   12.005   28.746   13.146   48.683   15.858 -19.93752 20.59821 
1 1 1    1   18   66 o   47.189   10.715   18.034   8.8420   31.336   12.633   5.2577   12.380   59.745   15.478   34.634   14.821 25.11081 21.42979 
1 1 1    1   18   67 o   44.407   11.198   17.321   8.6967   21.307   11.976   12.875   12.650   48.525   15.840   40.289   15.833 8.236649 22.39622 
1 1 1    1   18   68 o   38.295   10.779   10.137   8.6456   3.8734   11.777   17.460   12.733   32.647   14.215   43.943   16.208 -11.29557 21.55789 
1 1 1    1   18   69 o   30.092   9.5620   0.6303   8.1373   1.7502   10.988  -0.7300   12.109   30.287   13.437   29.898   13.608 0.3891773 19.12397 
1 1 1    1   18   70 o   33.974   14.396   7.0552   11.480   7.0552   11.480   0.0000   0.0000   33.974   14.396  ?   ?       ?      ? 
1 1 1    1   18   71 o   23.258   11.189  -9.7151   10.369  -9.7151   10.369   0.0000   0.0000   23.258   11.189  ?   ?       ?      ? 
1 1 1    1   18   72 o   41.480   10.937   16.120   8.6494   8.4926   11.838   24.856   12.669   34.292   14.579   48.668   16.308 -14.37633 21.87468 
1 1 1    1   19    0 o  111.228   6.1459   84.387   9.2020   83.083   12.282   86.056   13.894  110.302   8.2166  112.154   9.1420 -1.852325 12.29178 
1 1 1    1   19    1 o  163.413   5.3342  180.529   11.744  167.999   15.614  196.849   17.820  156.971   7.3404  169.856   7.7417 -12.88478 10.66842 
1 1 1    1   19    2 o  107.886   6.3967   80.538   9.1904   85.531   12.167   73.904   14.024  111.934   8.0213  103.838   9.9664 8.095871 12.79341 
1 1 1    1   19    3 o   66.144   10.759   32.825   8.8009   35.399   10.301   25.869   16.934   71.810   10.586   60.478   18.733 11.33239 21.51738 
1 1 1    1   19    4 o   92.235   8.7385   56.095   9.9441   52.708   11.682   65.009   18.950   87.701   9.8291   96.768   14.451 -9.067207 17.47709 
1 1 1    1   19    5 o  199.249   7.8208  276.557   20.231  380.461   29.375  182.799   27.904  235.783   9.1935  162.714   12.655 73.06885 15.64169 
1 1 1    1   19    6 o  253.887   8.3567  419.789   26.387  728.862   42.673  228.444   33.576  326.167   9.6544  181.607   13.643 144.5592 16.71350 
1 1 1    1   19    7 o  177.286   6.4908  218.854   15.133  197.984   23.845  232.929   19.582  169.841   10.360  184.730   7.8222 -14.88869 12.98157 
1 1 1    1   19    8 o  135.306   7.0247  125.937   12.550  123.735   20.052  127.354   16.092  134.144   11.030  136.469   8.7013 -2.325134 14.04934 
1 1 1    1   19    9 o   81.970   12.787   46.445   14.203   0.0000   0.0000   46.445   14.203  ?   ?    81.970   12.787      ?      ? 
1 1 1    1   19   10 o   57.226   8.7996   22.348   9.8815 -23.5236   16.044   50.385   12.543   28.843   13.887   85.609   10.812 -56.76645 17.59922 
1 1 1    1   19   11 o  113.430   6.3138   86.728   9.5760   69.009   12.780  109.412   14.460  100.358   9.3971  126.503   8.4352 -26.14513 12.62763 
1 1 1    1   19   12 f   96.149   7.9286   56.931   9.6275   46.369   11.367   83.740   18.109   82.173   10.208  110.126   12.135 -27.95367 15.85714 
1 1 1    1   19   13 o   90.649   7.9046   54.597   7.8671   53.235   8.7897   60.084   17.639   88.325   7.3436   92.973   14.000 -4.648651 15.80928 
1 1 1    1   19   14 o  109.312   6.8503   75.756   8.4942   71.079   9.5348   93.743   18.698  102.096   6.8916  116.528   11.841 -14.43156 13.70058 
1 1 1    1   19   15 o   44.718   10.544   12.923   6.5852   13.101   7.4018   12.248   14.422   42.964   12.163   46.472   17.228 -3.507458 21.08883 
1 1 1    1   19   16 o   61.538   9.9837   29.593   7.1998   32.184   8.1534   20.421   15.342   68.548   8.7774   54.527   17.935 14.02106 19.96748 
1 1 1    1   19   17 o   79.714   9.3256   48.441   7.7910   51.144   8.8292   38.934   16.559   86.526   7.5300   72.902   17.064 13.62383 18.65117 
1 1 1    1   19   18 o  100.185   7.4279   68.911   8.3854   68.741   9.5121   69.504   17.763  100.359   6.9942  100.011   13.106 0.3482971 14.85587 
1 1 1    1   19   19 o   75.154   9.4381   44.628   7.6563   48.685   8.7918   31.897   15.576   84.385   7.6883   65.923   17.239 18.46149 18.87617 
1 1 1    1   19   20 o   44.916   10.507   13.353   6.7513   13.642   7.7253   12.417   13.889   43.767   12.439   46.066   16.937 -2.299469 21.01416 
1 1 1    1   19   21 o   95.138   8.8405   62.563   11.327   60.104   15.084   65.743   17.153   93.107   11.955   97.170   13.027 -4.063049 17.68100 
1 1 1    1   19   22 o   43.103   11.144   9.4695   7.9563   6.6008   9.5081   16.170   14.531   36.327   13.873   49.880   17.443 -13.55277 22.28758 
1 1 1    1   19   23 o  111.107   7.4420   81.798   10.534   75.683   12.675   95.455   18.942  104.964   8.9113  117.250   11.922 -12.28625 14.88399 
1 1 1    1   19   24 o  107.677   7.6483   79.915   10.395   79.382   12.581   81.061   18.452  107.518   8.6346  107.836   12.627 -0.3182526 15.29659 
1 1 1    1   19   25 f  107.880   7.7533   81.714   10.629   83.933   13.063   77.367   18.286  110.513   8.7223  105.247   12.821 5.266167 15.50665 
1 1 1    1   19   26 o  139.803   6.3197  123.752   10.406  113.933   11.848  156.898   21.767  129.096   6.7723  150.509   10.672 -21.41245 12.63948 
1 1 1    1   19   27 f  130.326   6.9486  124.736   10.393  132.504   12.103  102.926   20.281  139.261   6.4135  121.390   12.329 17.87137 13.89712 
1 1 1    1   19   28 f  135.294   6.5636  129.122   10.492  132.319   12.252  120.328   20.320  139.124   6.4986  131.464   11.406 7.659561 13.12718 
1 1 1    1   19   29 o  173.905   6.1756  212.475   12.623  216.911   14.684  199.913   24.710  178.195   6.0809  169.614   10.751 8.580734 12.35125 
1 1 1    1   19   30 o  142.615   6.0797  125.253   10.438  110.010   11.954  174.170   21.415  126.712   6.9619  158.517   9.9691 -31.80498 12.15938 
1 1 1    1   19   31 o   61.060   10.292   28.390   8.1733   30.885   10.111   23.685   13.883   65.503   11.826   56.616   16.847 8.886307 20.58364 
1 1 1    1   19   32 o   73.264   10.366   37.362   10.291   37.362   10.291   0.0000   0.0000   73.264   10.366  ?   ?       ?      ? 
1 1 1    1   19   33 o  102.228   8.3618   72.131   11.584   72.131   11.584   0.0000   0.0000  102.228   8.3618  ?   ?       ?      ? 
1 1 1    1   19   34 o   50.155   10.224   19.705   7.6966   24.921   9.3438   8.6966   13.574   58.448   12.192   41.861   16.417 16.58696 20.44850 
1 1 1    1   19   35 o   42.116   10.545   11.365   7.2308   10.922   8.8678   12.246   12.490   40.174   13.643   44.058   16.082 -3.884617 21.08995 
1 1 1    1   19   36 o   43.067   10.420   12.890   7.4485   16.060   9.1700   6.7421   12.770   46.783   13.631   39.350   15.763 7.432400 20.83942 
1 1 1    1   19   37 o   86.477   9.0057   59.400   8.9989   69.118   11.070   40.465   15.452   99.910   8.1762   73.044   16.049 26.86619 18.01147 
1 1 1    1   19   38 o   81.531   7.6929   44.970   7.6620   42.586   8.9621   51.446   14.770   78.318   8.4444   84.745   12.861 -6.426476 15.38587 
1 1 1    1   19   39 o   75.170   8.7481   43.412   7.5311   46.489   8.9102   35.713   14.092   81.874   8.0308   68.465   15.544 13.40829 17.49616 
1 1 1    1   19   40 o   54.303   9.7868   20.841   6.7292   18.677   7.9841   26.147   12.503   50.205   11.914   58.402   15.530 -8.196568 19.57351 
1 1 1    1   19   41 o   75.081   7.6883   37.127   7.1701   33.190   8.4081   47.619   13.728   68.860   9.0105   81.302   12.460 -12.44225 15.37665 
1 1 1    1   19   42 o   34.255   9.4753   1.9821   6.2676  -3.0178   7.4714   13.857   11.514   24.132   10.865   44.377   15.527 -20.24596 18.95057 
1 1 1    1   19   43 o   40.541   9.7070   7.3371   6.2339   1.8440   7.3188   21.855   11.899   27.914   11.640   53.168   15.538 -25.25400 19.41399 
1 1 1    1   19   44 o   42.570   10.557   12.317   7.9354   17.992   10.736   5.4814   11.782   48.550   14.896   36.589   14.963 11.96127 21.11348 
1 1 1    1   19   45 o   66.514   9.7332   33.875   8.5034   36.295   11.148   30.508   13.150   70.802   11.619   62.227   15.619 8.575001 19.46633 
1 1 1    1   19   46 o   50.835   10.594   19.115   7.7585   14.408   9.9538   26.402   12.384   43.916   14.446   57.754   15.500 -13.83834 21.18840 
1 1 1    1   19   47 o   26.057   8.4348  -4.7932   6.6593  -3.9084   8.8293  -5.9606   10.142   25.638   11.650   26.476   12.201 -0.8381119 16.86963 
1 1 1    1   19   48 o   47.630   10.578   17.880   7.7751   21.265   10.251   13.293   11.931   52.083   14.154   43.177   15.724 8.906563 21.15638 
1 1 1    1   19   49 o   68.827   11.542   38.167   10.519   41.356   16.109   35.795   13.890   70.913   16.987   66.741   15.632 4.171791 23.08479 
1 1 1    1   19   50 o   63.766   11.727   32.524   10.230   42.261   15.864   25.594   13.385   71.754   16.639   55.778   16.529 15.97615 23.45353 
1 1 1    1   19   51 o   31.966   14.492  -3.5766   13.559  -3.5766   13.559   0.0000   0.0000   31.966   14.492  ?   ?       ?      ? 
1 1 1    1   19   52 f   49.858   14.142   19.813   9.9957   19.813   9.9957   0.0000   0.0000   49.858   14.142  ?   ?       ?      ? 
1 1 1    1   19   53 o   42.751   14.197   14.133   9.6054   14.133   9.6054   0.0000   0.0000   42.751   14.197  ?   ?       ?      ? 
1 1 1    1   19   54 o   79.756   9.7756   46.156   10.566   46.156   10.566   0.0000   0.0000   79.756   9.7756  ?   ?       ?      ? 
1 1 1    1   19   55 o   25.355   11.464  -2.7892   8.4221  -2.7892   8.4221   0.0000   0.0000   25.355   11.464  ?   ?       ?      ? 
1 1 1    1   19   56 o   35.045   13.439   7.8463   8.9445   7.8463   8.9445   0.0000   0.0000   35.045   13.439  ?   ?       ?      ? 
1 1 1    1   19   57 o   27.700   12.147   0.0219   8.7361   0.0219   8.7361   0.0000   0.0000   27.700   12.147  ?   ?       ?      ? 
1 1 1    1   19   58 o   41.490   13.861   13.608   9.1517   13.608   9.1517   0.0000   0.0000   41.490   13.861  ?   ?       ?      ? 
1 1 1    1   19   59 o   53.070   13.277   22.862   9.5243   22.862   9.5243   0.0000   0.0000   53.070   13.277  ?   ?       ?      ? 
1 1 1    1   19   60 o   33.878   13.229   7.3011   8.7860   7.3011   8.7860   0.0000   0.0000   33.878   13.229  ?   ?       ?      ? 
1 1 1    1   19   61 o   22.412   10.584  -7.1705   8.4267  -7.1705   8.4267   0.0000   0.0000   22.412   10.584  ?   ?       ?      ? 
1 1 1    1   19   62 o   24.171   11.090  -3.4430   8.2562  -3.4430   8.2562   0.0000   0.0000   24.171   11.090  ?   ?       ?      ? 
1 1 1    1   19   63 o   32.697   12.945   6.8604   8.5156   6.8604   8.5156   0.0000   0.0000   32.697   12.945  ?   ?       ?      ? 
1 1 1    1   19   64 o   32.090   12.847   6.4964   8.4770   6.4964   8.4770   0.0000   0.0000   32.090   12.847  ?   ?       ?      ? 
1 1 1    1   19   65 o   35.434   13.245   9.8496   8.5602   9.8496   8.5602   0.0000   0.0000   35.434   13.245  ?   ?       ?      ? 
1 1 1    1   19   66 o   30.961   12.752   5.6936   8.6335   5.6936   8.6335   0.0000   0.0000   30.961   12.752  ?   ?       ?      ? 
1 1 1    1   19   67 o   29.839   13.392   1.5796   11.251   1.5796   11.251   0.0000   0.0000   29.839   13.392  ?   ?       ?      ? 
1 1 1    1   19   68 o   34.036   14.483   8.0846   11.701   8.0846   11.701   0.0000   0.0000   34.036   14.483  ?   ?       ?      ? 
1 1 1    1   20    0 o  109.871   7.7571   80.256   10.473   76.055   12.289   91.400   20.016  105.262   8.6153  114.480   12.902 -9.217857 15.51415 
1 1 1    1   20    1 o  144.919   6.9941  140.236   12.359  134.688   14.465  155.244   23.789  140.276   7.6093  149.562   11.737 -9.286346 13.98814 
1 1 1    1   20    2 o  141.017   6.9838  130.327   11.977  122.457   13.934  152.586   23.434  133.739   7.6884  148.294   11.661 -14.55470 13.96753 
1 1 1    1   20    3 o   64.006   9.2611   27.812   7.8482   20.009   10.111   39.638   12.448   52.512   13.966   75.500   12.167 -22.98811 18.52229 
1 1 1    1   20    4 o   72.093   8.4696   36.660   7.9806   36.811   10.515   36.455   12.256   72.975   10.633   71.212   13.186 1.762535 16.93926 
1 1 1    1   20    5 o   88.941   7.1282   54.829   8.4968   56.449   11.316   52.735   12.865   90.585   9.2186   87.297   10.875 3.288132 14.25634 
1 1 1    1   20    6 o   38.446   9.7144   4.3661   7.1855  -4.8943   9.2949   18.120   11.328   26.520   12.013   50.372   15.270 -23.85179 19.42880 
1 1 1    1   20    7 o   94.793   6.8332   60.949   8.7038   54.338   11.444   70.018   13.405   88.818   9.5085  100.768   9.8164 -11.94967 13.66650 
1 1 1    1   20    8 o  147.392   5.5913  149.239   11.093  151.997   14.933  145.842   16.570  149.021   7.3946  145.762   8.3886 3.258774 11.18252 
1 1 1    1   20    9 o  117.757   6.2239   93.118   9.8127   77.657   12.843  114.798   15.209  106.264   8.9189  129.250   8.6834 -22.98544 12.44781 
1 1 1    1   20   10 o   71.132   8.5858   35.043   8.0292   29.805   10.559   42.225   12.363   64.335   12.562   77.928   11.707 -13.59338 17.17164 
1 1 1    1   20   11 o  103.077   6.5325   72.713   9.0798   68.704   12.135   77.813   13.686   99.920   8.9620  106.235   9.5067 -6.315437 13.06505 
1 1 1    1   20   12 o   89.215   8.2882   55.287   8.1565   55.213   9.1862   55.563   17.730   89.765   7.5518   88.665   14.756 1.099380 16.57649 
1 1 1    1   20   13 o   72.721   10.061   45.677   7.8674   51.656   8.9264   24.864   16.653   86.811   7.5878   58.631   18.638 28.17986 20.12293 
1 1 1    1   20   14 o   78.297   9.2032   44.018   7.7815   44.287   8.8100   43.066   16.596   80.306   8.0955   76.289   16.530 4.016830 18.40637 
1 1 1    1   20   15 o   49.806   12.184   16.601   10.113   19.697   13.699   12.895   14.991   52.645   16.922   46.967   17.534 5.677578 24.36777 
1 1 1    1   20   16 o   77.818   16.191   44.743   16.518   0.0000   0.0000   44.743   16.518  ?   ?    77.818   16.191      ?      ? 
1 1 1    1   20   17 o   36.561   10.574   4.1711   7.7706   3.6927   9.3123   5.2681   14.101   33.073   13.386   40.050   16.373 -6.976147 21.14838 
1 1 1    1   20   18 o   43.493   11.164   10.935   7.9485   9.4229   9.5104   14.440   14.476   39.146   14.070   47.841   17.336 -8.694958 22.32767 
1 1 1    1   20   19 o  100.734   7.8886   74.886   8.6823   78.215   9.8723   63.519   18.241  106.861   6.8173   94.607   14.228 12.25410 15.77723 
1 1 1    1   20   20 o  104.238   7.2300   70.629   8.5096   66.978   9.5580   84.583   18.687   98.819   7.1375  109.657   12.576 -10.83816 14.46000 
1 1 1    1   20   21 o   80.774   8.5243   43.864   7.5844   41.841   8.5584   51.263   16.369   77.948   8.1023   83.599   15.000 -5.651245 17.04860 
1 1 1    1   20   22 o   45.364   9.1529   16.791   6.8075   23.359   7.8004  -4.1952   13.943   57.088   10.469   33.641   15.017 23.44704 18.30587 
1 1 1    1   20   23 o   89.384   7.7289   54.531   7.8758   53.419   8.9457   58.363   16.607   88.136   7.4899   90.631   13.522 -2.495125 15.45774 
1 1 1    1   20   24 o  108.004   6.8005   74.713   8.5910   69.088   9.7581   94.102   18.116  100.267   7.1816  115.740   11.550 -15.47303 13.60092 
1 1 1    1   20   25 o   66.222   9.6358   33.980   7.3050   36.083   8.3984   27.443   14.806   72.218   8.5815   60.226   17.255 11.99205 19.27159 
1 1 1    1   20   26 o   89.776   7.3686   55.491   8.9646   55.491   8.9646   0.0000   0.0000   89.776   7.3686  ?   ?       ?      ? 
1 1 1    1   20   27 o   64.962   9.3492   29.366   8.2303   29.366   8.2303   0.0000   0.0000   64.962   9.3492  ?   ?       ?      ? 
1 1 1    1   20   28 o   78.109   8.3597   42.268   8.8486   42.268   8.8486   0.0000   0.0000   78.109   8.3597  ?   ?       ?      ? 
1 1 1    1   20   29 o   85.730   7.4380   46.867   7.6950   41.786   8.8452   62.681   15.605   77.617   8.4094   93.843   12.271 -16.22668 14.87595 
1 1 1    1   20   30 o   68.683   8.9635   32.193   7.2401   29.836   8.3761   39.157   14.398   65.345   9.4591   72.020   15.228 -6.675797 17.92702 
1 1 1    1   20   31 o   73.016   8.5629   34.917   7.3550   30.964   8.4640   47.107   14.863   66.540   9.3866   79.491   14.324 -12.95124 17.12571 
1 1 1    1   20   32 o   47.129   10.383   15.305   6.6830   13.964   7.7666   19.132   13.117   43.526   12.505   50.731   16.579 -7.204945 20.76628 
1 1 1    1   20   33 o   99.410   6.8778   65.181   8.2572   60.408   9.5505   79.311   16.433   93.368   7.5482  105.451   11.500 -12.08240 13.75557 
1 1 1    1   20   34 f   89.001   7.2492   50.027   7.8167   43.536   8.9832   70.263   15.862   79.009   8.3902   98.992   11.824 -19.98321 14.49832 
1 1 1    1   20   35 o   53.421   9.5623   22.738   6.8208   25.572   8.0590   15.583   12.806   60.166   9.8843   46.677   16.372 13.48943 19.12460 
1 1 1    1   20   36 o   38.265   9.5075   10.162   6.2860   13.338   7.4117   2.0229   11.865   42.369   12.229   34.160   14.561 8.208385 19.01502 
1 1 1    1   20   37 o   60.499   9.3328   29.428   6.8705   32.176   8.0728   22.207   13.086   67.669   8.8035   53.330   16.459 14.33867 18.66560 
1 1 1    1   20   38 o   33.189   9.2362   5.6369   6.0383   7.9054   7.2090   0.3039   11.053   34.572   12.269   31.806   13.810 2.765921 18.47235 
1 1 1    1   20   39 o   33.821   9.5107   1.8456   7.0361  -6.0041   9.2075   12.864   10.909   25.060   11.575   42.581   15.094 -17.52111 19.02145 
1 1 1    1   20   40 o   37.826   10.593   6.6871   8.5481  -1.6658   13.011   13.031   11.339   32.806   14.585   42.845   15.367 -10.03868 21.18629 
1 1 1    1   20   41 o   60.884   11.520   29.038   9.7878   38.951   14.973   21.641   12.934   69.670   16.171   52.097   16.411 17.57275 23.03908 
1 1 1    1   20   42 f   60.844   11.489   30.562   9.9325   22.161   14.593   37.812   13.557   52.416   17.504   69.272   14.885 -16.85635 22.97717 
1 1 1    1   20   43 o   66.093   11.237   35.242   9.8908   35.836   14.914   34.776   13.215   66.094   16.657   66.091   15.087 0.2777100E-02 22.47402 
1 1 1    1   20   44 o   41.886   11.179   12.025   8.7651   8.2483   13.595   14.712   11.467   39.594   16.119   44.177   15.493 -4.583607 22.35708 
1 1 1    1   20   45 o   46.737   9.9013   17.251   7.6452   26.019   10.069   5.3158   11.748   57.787   13.154   35.687   14.803 22.09945 19.80258 
1 1 1    1   20   46 o   27.707   12.268  -1.1186   9.1173  -1.1186   9.1173   0.0000   0.0000   27.707   12.268  ?   ?       ?      ? 
1 1 1    1   20   47 o   49.499   13.859   19.497   9.6649   19.497   9.6649   0.0000   0.0000   49.499   13.859  ?   ?       ?      ? 
1 1 1    1   20   48 f   58.155   12.714   26.371   9.7404   26.371   9.7404   0.0000   0.0000   58.155   12.714  ?   ?       ?      ? 
1 1 1    1   20   49 o   30.934   12.787   3.7552   8.7223   3.7552   8.7223   0.0000   0.0000   30.934   12.787  ?   ?       ?      ? 
1 1 1    1   20   50 o   34.354   13.289   7.2424   8.8008   7.2424   8.8008   0.0000   0.0000   34.354   13.289  ?   ?       ?      ? 
1 1 1    1   20   51 o   24.227   11.163  -4.6381   8.4869  -4.6381   8.4869   0.0000   0.0000   24.227   11.163  ?   ?       ?      ? 
1 1 1    1   20   52 o   31.060   12.833   4.0379   8.7798   4.0379   8.7798   0.0000   0.0000   31.060   12.833  ?   ?       ?      ? 
1 1 1    1   20   53 o   32.330   13.119   5.3012   8.9703   5.3012   8.9703   0.0000   0.0000   32.330   13.119  ?   ?       ?      ? 
1 1 1    1   20   54 o   43.915   13.857   15.683   9.2183   15.683   9.2183   0.0000   0.0000   43.915   13.857  ?   ?       ?      ? 
1 1 1    1   20   55 o   46.580   13.813   17.934   9.3446   17.934   9.3446   0.0000   0.0000   46.580   13.813  ?   ?       ?      ? 
1 1 1    1   20   56 o   22.005   10.428  -7.6574   8.3190  -7.6574   8.3190   0.0000   0.0000   22.005   10.428  ?   ?       ?      ? 
1 1 1    1   20   57 o   39.137   13.631   12.267   8.8699   12.267   8.8699   0.0000   0.0000   39.137   13.631  ?   ?       ?      ? 
1 1 1    1   20   58 o   32.325   13.000   6.2533   8.7232   6.2533   8.7232   0.0000   0.0000   32.325   13.000  ?   ?       ?      ? 
1 1 1    1   20   59 o   28.463   12.202   2.4805   8.4188   2.4805   8.4188   0.0000   0.0000   28.463   12.202  ?   ?       ?      ? 
1 1 1    1   20   60 o   44.908   13.405   17.393   8.7792   17.393   8.7792   0.0000   0.0000   44.908   13.405  ?   ?       ?      ? 
1 1 1    1   20   61 o   41.876   13.642   15.349   8.8838   15.349   8.8838   0.0000   0.0000   41.876   13.642  ?   ?       ?      ? 
1 1 1    1   20   62 o   29.328   12.411   4.0753   8.5149   4.0753   8.5149   0.0000   0.0000   29.328   12.411  ?   ?       ?      ? 
1 1 1    1   20   63 o   38.425   15.341   13.147   12.050   13.147   12.050   0.0000   0.0000   38.425   15.341  ?   ?       ?      ? 
1 1 1    1   20   64 o   38.114   15.390   13.385   12.279   13.385   12.279   0.0000   0.0000   38.114   15.390  ?   ?       ?      ? 
1 1 1    1   21    0 o   36.791   9.4081   7.0415   6.7004   13.793   8.8097  -2.2230   10.320   43.875   13.499   29.708   13.108 14.16697 18.81627 
1 1 1    1   21    1 o   49.759   10.059   18.177   7.0793   18.303   9.3424   18.008   10.849   49.884   13.494   49.635   14.921 0.2486420 20.11782 
1 1 1    1   21    2 o   37.837   9.9526   8.2891   6.7548   8.6306   8.7999   7.7992   10.539   37.453   13.525   38.221   14.604 -0.7679214 19.90511 
1 1 1    1   21    3 o   45.589   9.7148   15.189   6.8754   20.497   9.0359   7.8910   10.596   52.816   12.766   38.362   14.647 14.45385 19.42951 
1 1 1    1   21    4 o   47.829   9.3134   17.338   6.8674   25.065   8.9276   6.1395   10.748   58.792   11.617   36.866   14.560 21.92604 18.62683 
1 1 1    1   21    5 o   42.501   10.010   12.565   6.8608   15.227   8.8484   8.5508   10.864   45.757   13.407   39.244   14.868 6.512554 20.01954 
1 1 1    1   21    6 o   47.054   10.148   16.145   7.0111   17.105   9.0270   14.685   11.131   48.265   13.351   45.843   15.286 2.421978 20.29585 
1 1 1    1   21    7 o   65.842   8.7526   31.077   7.5400   30.696   9.8641   31.613   11.694   66.172   11.000   65.511   13.617 0.6603317 17.50527 
1 1 1    1   21    8 o   52.492   11.363   20.213   9.6730   29.673   12.789   7.5670   14.787   62.941   15.172   42.042   16.920 20.89920 22.72558 
1 1 1    1   21    9 o   41.911   16.828   7.6646   14.591   0.0000   0.0000   7.6646   14.591  ?   ?    41.911   16.828      ?      ? 
1 1 1    1   21   10 o   40.969   14.956   10.398   10.802   0.0000   0.0000   10.398   10.802  ?   ?    40.969   14.956      ?      ? 
1 1 1    1   21   11 o   67.980   10.212   37.263   8.5002   42.148   10.114   25.517   15.684   77.795   9.5942   58.165   18.031 19.62926 20.42454 
1 1 1    1   21   12 f   78.249   8.7662   41.669   7.4026   39.927   8.2997   48.444   16.370   76.008   8.0578   80.489   15.571 -4.480896 17.53242 
1 1 1    1   21   13 o   46.236   10.543   11.648   6.4543   8.3781   7.2386   24.330   14.257   35.697   12.321   56.776   17.113 -21.07877 21.08673 
1 1 1    1   21   14 o   41.398   10.452   9.4789   6.3098   7.8499   7.0935   15.653   13.810   34.853   12.187   47.942   16.984 -13.08856 20.90431 
1 1 1    1   21   15 o   44.778   10.479   13.797   6.5542   14.006   7.3665   13.001   14.358   43.731   12.046   45.825   17.149 -2.094463 20.95743 
1 1 1    1   21   16 o   70.864   9.3213   35.987   7.3492   35.473   8.3513   37.751   15.473   71.473   8.6225   70.255   16.529 1.217514 18.64269 
1 1 1    1   21   17 o   89.751   8.1467   55.495   9.0230   53.331   10.661   60.957   16.939   87.516   8.9897   91.986   13.589 -4.470398 16.29343 
1 1 1    1   21   18 o   36.943   10.219   7.0507   7.2766   9.8231   8.5235  -0.4007   13.973   38.406   13.363   35.480   15.465 2.925831 20.43875 
1 1 1    1   21   19 o   43.058   9.9184  -2.3257   7.2610 -12.3657   8.2140   33.566   15.530   20.369   9.8391   65.747   17.225 -45.37782 19.83673 
1 1 1    1   21   20 f   61.750   11.943   27.989   9.6322   27.989   9.6322   0.0000   0.0000   61.750   11.943  ?   ?       ?      ? 
1 1 1    1   21   21 o   80.988   9.4475   45.953   10.369   45.953   10.369   0.0000   0.0000   80.988   9.4475  ?   ?       ?      ? 
1 1 1    1   21   22 o   61.487   10.393   28.926   8.0435   30.034   9.4444   26.002   15.348   65.130   10.701   57.843   17.821 7.287086 20.78661 
1 1 1    1   21   23 o   46.083   10.736   11.838   7.3464   6.6451   8.6123   25.711   14.077   34.646   13.210   57.520   16.926 -22.87407 21.47107 
1 1 1    1   21   24 o   41.225   9.3775   11.795   7.3510   20.464   8.7564  -8.8993   13.529   52.300   12.521   30.151   13.963 22.14936 18.75501 
1 1 1    1   21   25 o   69.402   9.9235   38.708   8.4071   43.161   10.145   28.948   15.019   78.283   9.5636   60.521   17.391 17.76138 19.84699 
1 1 1    1   21   26 o   78.782   8.5948   41.579   8.4476   36.974   9.9374   53.576   16.040   72.229   10.153   85.335   13.871 -13.10578 17.18958 
1 1 1    1   21   27 o   71.333   9.5722   37.356   8.2702   36.474   9.8317   39.489   15.293   71.694   10.120   70.973   16.251 0.7214432 19.14442 
1 1 1    1   21   28 o   42.988   10.442   13.579   7.4222   16.484   8.8734   6.8126   13.544   46.669   13.354   39.307   16.055 7.362278 20.88325 
1 1 1    1   21   29 o   67.251   9.4456   34.933   7.1944   35.961   8.2546   31.685   14.674   71.578   8.5101   62.925   16.866 8.653175 18.89110 
1 1 1    1   21   30 o   43.825   10.269   14.227   6.6147   15.030   7.5771   11.653   13.561   44.654   12.183   42.995   16.533 1.658989 20.53716 
1 1 1    1   21   31 o   79.496   7.8091   42.088   7.4697   38.294   8.6035   53.704   15.054   73.736   8.6102   85.255   13.030 -11.51939 15.61814 
1 1 1    1   21   32 f   56.128   9.8749   23.097   6.7825   21.583   7.8653   27.487   13.395   53.772   11.159   58.484   16.295 -4.712116 19.74977 
1 1 1    1   21   33 o   55.367   9.5736   25.592   8.2963   37.955   10.637   6.3913   13.256   72.457   10.833   38.278   15.788 34.17895 19.14715 
1 1 1    1   21   34 o   41.056   10.766   10.698   7.7772   7.8752   9.7994   15.501   12.783   36.436   14.042   45.676   16.324 -9.240501 21.53247 
1 1 1    1   21   35 o   52.751   10.520   22.922   8.0423   27.107   10.207   16.071   13.060   59.299   13.055   46.202   16.501 13.09660 21.04097 
1 1 1    1   21   36 o   66.591   10.247   34.701   8.7068   34.073   10.890   35.814   14.497   66.916   12.467   66.266   16.265 0.6502380 20.49324 
1 1 1    1   21   37 o   52.218   10.931   22.150   8.2106   23.280   10.396   20.276   13.387   54.265   14.033   50.170   16.764 4.094406 21.86202 
1 1 1    1   21   38 o   49.995   10.471   20.738   8.0620   26.460   10.297   11.673   12.960   58.177   13.345   41.814   16.140 16.36261 20.94189 
1 1 1    1   21   39 o   48.423   10.706   18.956   7.8084   20.555   10.044   16.514   12.414   50.815   14.094   46.032   16.121 4.783459 21.41276 
1 1 1    1   21   40 o   55.553   10.489   23.463   8.1295   16.012   10.418   35.064   12.999   45.122   14.776   65.984   14.891 -20.86232 20.97818 
1 1 1    1   21   41 f   56.527   13.610   25.349   10.300   25.349   10.300   0.0000   0.0000   56.527   13.610  ?   ?       ?      ? 
1 1 1    1   21   42 o   43.264   14.375   14.619   9.8473   14.619   9.8473   0.0000   0.0000   43.264   14.375  ?   ?       ?      ? 
1 1 1    1   21   43 o   28.587   12.430   0.5674   8.9818   0.5674   8.9818   0.0000   0.0000   28.587   12.430  ?   ?       ?      ? 
1 1 1    1   21   44 o   29.137   12.544   1.3645   8.9661   1.3645   8.9661   0.0000   0.0000   29.137   12.544  ?   ?       ?      ? 
1 1 1    1   21   45 o   40.355   14.215   12.371   9.6598   12.371   9.6598   0.0000   0.0000   40.355   14.215  ?   ?       ?      ? 
1 1 1    1   21   46 o   73.049   10.698   39.587   10.590   39.587   10.590   0.0000   0.0000   73.049   10.698  ?   ?       ?      ? 
1 1 1    1   21   47 o   38.605   13.907   11.125   9.2959   11.125   9.2959   0.0000   0.0000   38.605   13.907  ?   ?       ?      ? 
1 1 1    1   21   48 o   48.240   13.538   18.992   9.2108   18.992   9.2108   0.0000   0.0000   48.240   13.538  ?   ?       ?      ? 
1 1 1    1   21   49 o   62.854   11.980   30.992   9.8315   30.992   9.8315   0.0000   0.0000   62.854   11.980  ?   ?       ?      ? 
1 1 1    1   21   50 o   31.259   12.834   4.7482   8.7092   4.7482   8.7092   0.0000   0.0000   31.259   12.834  ?   ?       ?      ? 
1 1 1    1   21   51 o   47.669   13.749   19.033   9.3718   19.033   9.3718   0.0000   0.0000   47.669   13.749  ?   ?       ?      ? 
1 1 1    1   21   52 o   52.310   13.269   22.786   9.4209   22.786   9.4209   0.0000   0.0000   52.310   13.269  ?   ?       ?      ? 
1 1 1    1   21   53 o   27.943   12.057   1.8583   8.3214   1.8583   8.3214   0.0000   0.0000   27.943   12.057  ?   ?       ?      ? 
1 1 1    1   21   54 o   32.496   12.871   6.8878   8.4213   6.8878   8.4213   0.0000   0.0000   32.496   12.871  ?   ?       ?      ? 
1 1 1    1   21   55 o   30.627   12.536   5.2960   8.2778   5.2960   8.2778   0.0000   0.0000   30.627   12.536  ?   ?       ?      ? 
1 1 1    1   21   56 o   27.153   11.830   1.6546   8.1666   1.6546   8.1666   0.0000   0.0000   27.153   11.830  ?   ?       ?      ? 
1 1 1    1   21   57 o   29.345   13.361  -0.3309   11.685  -0.3309   11.685   0.0000   0.0000   29.345   13.361  ?   ?       ?      ? 
1 1 1    1   21   58 o   47.526   16.228   22.921   12.547   22.921   12.547   0.0000   0.0000   47.526   16.228  ?   ?       ?      ? 
1 1 1    1   21   59 o   38.270   15.378   13.449   12.195   13.449   12.195   0.0000   0.0000   38.270   15.378  ?   ?       ?      ? 
1 1 1    1   22    0 o   52.641   9.9127   20.744   7.1442   18.626   9.4124   23.623   10.973   49.666   13.590   55.615   14.434 -5.948471 19.82535 
1 1 1    1   22    1 o   47.097   9.9719   16.822   6.9200   19.037   9.0943   13.775   10.665   50.263   13.187   43.931   14.962 6.331947 19.94382 
1 1 1    1   22    2 o   43.067   10.783   7.5186   7.5511   1.4046   8.7865   24.791   14.768   29.771   12.604   56.364   17.500 -26.59308 21.56666 
1 1 1    1   22    3 o   41.118   11.175   8.5575   9.3888   16.371   12.594  -1.2192   14.087   47.437   16.258   34.799   15.337 12.63850 22.35043 
1 1 1    1   22    4 o   41.417   9.8947   12.224   6.6177   13.836   8.5757   9.8503   10.405   43.300   13.318   39.534   14.637 3.766426 19.78940 
1 1 1    1   22    5 o   37.902   9.8455   9.0304   6.5397   8.9481   8.4210   9.1555   10.380   37.010   13.247   38.794   14.569 -1.784615 19.69095 
1 1 1    1   22    6 o   41.346   9.9632   11.733   6.5732   10.232   8.4375   14.050   10.484   38.575   13.303   44.117   14.836 -5.541641 19.92635 
1 1 1    1   22    7 o   46.022   9.9966   15.460   6.7383   13.607   8.6965   18.246   10.659   42.987   13.443   49.057   14.799 -6.069759 19.99328 
1 1 1    1   22    8 o   42.036   9.8082   12.853   6.6530   15.903   8.6375   8.4037   10.432   46.027   13.177   38.044   14.531 7.982864 19.61640 
1 1 1    1   22    9 o   48.283   9.9863   16.479   6.9038   11.994   8.7578   23.840   11.220   40.900   13.555   55.667   14.668 -14.76709 19.97255 
1 1 1    1   22   10 o   59.201   9.1281   25.545   7.0187   21.644   9.0086   31.571   11.196   53.635   12.607   64.768   13.204 -11.13336 18.25617 
1 1 1    1   22   11 o   49.877   9.0618   23.316   6.7994   29.145   7.4580  -5.3804   16.548   64.510   8.5312   35.244   15.990 29.26636 18.12363 
1 1 1    1   22   12 o   65.892   8.5007   30.415   7.5906   30.415   7.5906   0.0000   0.0000   65.892   8.5007  ?   ?       ?      ? 
1 1 1    1   22   13 f   56.976   9.4313   22.928   7.2820   22.928   7.2820   0.0000   0.0000   56.976   9.4313  ?   ?       ?      ? 
1 1 1    1   22   14 o   57.848   10.349   28.271   6.9468   30.290   7.5714   17.524   17.467   65.719   8.5015   49.977   18.872 15.74215 20.69808 
1 1 1    1   22   15 o   60.310   9.7614   25.855   6.5840   24.802   7.3338   30.227   14.947   59.295   9.1271   61.325   17.258 -2.030590 19.52288 
1 1 1    1   22   16 o   82.691   7.8349   45.238   7.2420   42.379   8.0967   56.678   16.194   77.941   7.6659   87.441   13.667 -9.499809 15.66973 
1 1 1    1   22   17 o   64.656   9.5605   30.605   6.8704   29.944   7.7269   33.103   15.014   65.209   8.7440   64.104   17.004 1.105515 19.12093 
1 1 1    1   22   18 o   66.827   9.5667   36.214   6.8944   38.107   7.7522   29.053   15.079   73.839   7.7473   59.815   17.495 14.02449 19.13339 
1 1 1    1   22   19 o   72.776   9.3519   39.328   7.1505   39.028   7.9843   40.541   16.072   74.659   7.8918   70.894   16.957 3.765015 18.70380 
1 1 1    1   22   20 o   31.031   8.8424   3.7851   6.0173   8.2726   6.7044 -14.8019   13.645   34.583   11.862   27.479   13.117 7.104462 17.68483 
1 1 1    1   22   21 o   52.476   9.7787   23.132   6.8270   25.948   7.7320   13.172   14.542   60.391   9.4479   44.561   17.124 15.83028 19.55742 
1 1 1    1   22   22 o   53.051   10.548   16.960   6.8268   12.355   7.6502   34.967   15.127   40.637   12.592   65.464   16.927 -24.82699 21.09678 
1 1 1    1   22   23 o   75.789   8.7232   39.019   7.3941   35.776   8.3516   50.782   15.904   71.116   8.6660   80.462   15.142 -9.346008 17.44637 
1 1 1    1   22   24 o   53.829   9.6558   26.053   7.0515   30.471   7.9518   9.7894   15.257   65.505   8.9580   42.154   17.108 23.35060 19.31154 
1 1 1    1   22   25 o   37.247   10.383   5.9849   6.4186   3.9403   7.1768   14.157   14.348   29.542   11.823   44.952   17.072 -15.40982 20.76654 
1 1 1    1   22   26 o   31.185   9.2744   3.2595   6.2822   5.8051   7.1119  -5.7802   13.402   31.559   12.012   30.812   14.134 0.7477379 18.54876 
1 1 1    1   22   27 o   37.727   10.280   8.6200   7.7147   12.733   9.5146   0.7257   13.181   41.372   14.132   34.083   14.934 7.288509 20.56003 
1 1 1    1   22   28 o   40.928   10.391   11.964   7.7741   16.769   9.7973   3.7961   12.774   46.254   14.236   35.603   15.140 10.65153 20.78232 
1 1 1    1   22   29 o   68.168   9.8535   37.804   8.5540   42.284   10.744   30.046   14.138   76.292   10.392   60.044   16.744 16.24857 19.70694 
1 1 1    1   22   30 o   51.635   11.061   21.076   8.1377   19.338   10.112   24.271   13.709   49.274   14.302   53.997   16.877 -4.722763 22.12172 
1 1 1    1   22   31 o   60.250   9.6881   32.696   8.5424   45.321   10.700   10.509   14.185   79.083   9.9844   41.418   16.606 37.66577 19.37622 
1 1 1    1   22   32 o   35.873   10.106   6.7114   7.7410   11.391   9.6650  -1.6620   12.929   39.611   14.190   32.136   14.394 7.475296 20.21254 
1 1 1    1   22   33 o   52.551   10.694   18.439   8.1747   9.2631   9.9180   37.881   14.436   37.428   14.199   67.674   15.995 -30.24587 21.38807 
1 1 1    1   22   34 o   38.934   10.700   9.4480   7.7874   7.9816   9.6401   12.202   13.212   35.884   13.900   41.983   16.270 -6.099571 21.39939 
1 1 1    1   22   35 o   72.861   9.7679   42.659   8.8617   44.982   10.970   38.298   15.033   78.366   10.330   67.356   16.581 11.01035 19.53572 
1 1 1    1   22   36 o   51.247   13.811   21.144   9.8082   21.144   9.8082   0.0000   0.0000   51.247   13.811  ?   ?       ?      ? 
1 1 1    1   22   37 o   61.256   12.769   29.457   10.256   29.457   10.256   0.0000   0.0000   61.256   12.769  ?   ?       ?      ? 
1 1 1    1   22   38 o   33.004   13.324   5.6262   9.2008   5.6262   9.2008   0.0000   0.0000   33.004   13.324  ?   ?       ?      ? 
1 1 1    1   22   39 o   27.031   11.885  -0.2293   8.4125  -0.2293   8.4125   0.0000   0.0000   27.031   11.885  ?   ?       ?      ? 
1 1 1    1   22   40 o   24.446   11.098  -2.8778   7.9872  -2.8778   7.9872   0.0000   0.0000   24.446   11.098  ?   ?       ?      ? 
1 1 1    1   22   41 o   26.693   11.714  -0.0202   8.1392  -0.0202   8.1392   0.0000   0.0000   26.693   11.714  ?   ?       ?      ? 
1 1 1    1   22   42 o   30.563   12.509   4.3869   8.2428   4.3869   8.2428   0.0000   0.0000   30.563   12.509  ?   ?       ?      ? 
1 1 1    1   22   43 o   29.336   12.465   2.6075   8.6461   2.6075   8.6461   0.0000   0.0000   29.336   12.465  ?   ?       ?      ? 
1 1 1    1   22   44 o   61.957   12.134   30.478   9.8230   30.478   9.8230   0.0000   0.0000   61.957   12.134  ?   ?       ?      ? 
1 1 1    1   22   45 o   43.967   13.799   16.154   9.1538   16.154   9.1538   0.0000   0.0000   43.967   13.799  ?   ?       ?      ? 
1 1 1    1   22   46 o   31.437   12.706   5.5827   8.3774   5.5827   8.3774   0.0000   0.0000   31.437   12.706  ?   ?       ?      ? 
1 1 1    1   22   47 o   36.615   13.229   10.484   8.4196   10.484   8.4196   0.0000   0.0000   36.615   13.229  ?   ?       ?      ? 
1 1 1    1   22   48 o   48.944   13.183   20.328   8.9391   20.328   8.9391   0.0000   0.0000   48.944   13.183  ?   ?       ?      ? 
1 1 1    1   22   49 o   37.625   13.502   11.619   8.7544   11.619   8.7544   0.0000   0.0000   37.625   13.502  ?   ?       ?      ? 
1 1 1    1   22   50 o   22.881   11.070 -11.8975   10.499 -11.8975   10.499   0.0000   0.0000   22.881   11.070  ?   ?       ?      ? 
1 1 1    1   22   51 o   41.983   15.961   16.480   12.549   16.480   12.549   0.0000   0.0000   41.983   15.961  ?   ?       ?      ? 
1 1 1    1   22   52 o   51.768   16.626   27.337   13.226   27.337   13.226   0.0000   0.0000   51.768   16.626  ?   ?       ?      ? 
1 1 1    1   22   53 o   42.303   16.024   17.888   12.620   17.888   12.620   0.0000   0.0000   42.303   16.024  ?   ?       ?      ? 
1 1 1    1   22   54 o   27.027   11.790   2.3759   8.1370   2.3759   8.1370   0.0000   0.0000   27.027   11.790  ?   ?       ?      ? 
1 1 1    1   23    0 o   46.803   9.8223   17.050   6.5856   17.423   8.3543   16.437   10.703   47.544   12.718   46.063   14.972 1.481133 19.64468 
1 1 1    1   23    1 o   41.332   10.821   10.597   7.0505   9.1125   8.0366   15.557   14.690   36.389   12.950   46.275   17.341 -9.886410 21.64263 
1 1 1    1   23    2 o   34.592   9.9471   5.9142   6.7247   7.5332   7.6263   0.2561   14.257   34.150   12.551   35.033   15.435 -0.8832054 19.89425 
1 1 1    1   23    3 o   39.318   10.221   10.875   6.9328   13.223   7.8456   2.5070   14.809   41.737   12.721   36.898   16.002 4.839752 20.44232 
1 1 1    1   23    4 o   42.651   10.600   5.9006   7.0106  -0.1834   7.8905   28.707   15.277   26.701   11.630   58.600   17.726 -31.89974 21.20098 
1 1 1    1   23    5 o   59.280   9.2119   25.958   7.1073   20.601   9.0718   34.471   11.436   51.557   12.990   67.003   13.065 -15.44614 18.42376 
1 1 1    1   23    6 f   41.038   10.762   11.552   7.9008   12.512   12.044   10.827   10.468   42.301   15.731   39.774   14.690 2.526924 21.52391 
1 1 1    1   23    7 o   46.742   10.785   16.468   8.0309   22.656   11.860   11.227   10.914   53.058   15.514   40.425   14.986 12.63389 21.57031 
1 1 1    1   23    8 o   55.682   10.685   24.811   8.2402   25.721   12.259   24.061   11.129   56.410   15.540   54.954   14.670 1.456585 21.37099 
1 1 1    1   23    9 o   51.886   10.345   20.262   8.0345   32.004   12.124   11.068   10.729   63.651   14.394   40.122   14.862 23.52936 20.68917 
1 1 1    1   23   10 o   70.870   11.291   41.359   10.553   45.581   14.025   35.849   16.022   76.512   14.044   65.227   17.683 11.28537 22.58120 
1 1 1    1   23   11 o   35.163   10.130   6.1327   7.2389   8.2855   8.3564  -0.3401   14.490   35.527   13.125   34.800   15.435 0.7271233 20.26055 
1 1 1    1   23   12 o   31.022   9.3369   1.8480   7.0246   6.2922   8.2348 -10.0271   13.461   33.182   12.849   28.861   13.550 4.321526 18.67371 
1 1 1    1   23   13 o   35.944   8.3996   9.0002   6.1137   16.020   6.9068 -16.4072   13.140   45.915   11.200   25.973   12.521 19.94232 16.79923 
1 1 1    1   23   14 o   55.816   10.037   23.994   6.6243   23.923   7.3873   24.284   14.967   57.729   9.4430   53.904   17.714 3.825020 20.07334 
1 1 1    1   23   15 o   51.882   10.087   21.556   6.4647   22.078   7.2150   19.428   14.560   54.509   10.141   49.254   17.440 5.254974 20.17416 
1 1 1    1   23   16 o   40.731   9.7108   13.078   6.1847   15.303   6.8746   3.6359   14.165   44.778   11.322   36.684   15.780 8.094006 19.42166 
1 1 1    1   23   17 o   37.432   9.3710   10.446   6.1185   13.652   6.8044  -3.0946   13.984   42.248   11.553   32.617   14.758 9.630856 18.74208 
1 1 1    1   23   18 o   50.819   10.040   21.238   6.5461   22.315   7.3526   17.117   14.377   54.675   10.301   46.963   17.237 7.712093 20.08086 
1 1 1    1   23   19 o   45.044   10.412   13.507   6.2939   11.185   7.0945   22.090   13.639   38.498   12.157   51.589   16.908 -13.09174 20.82442 
1 1 1    1   23   20 o   29.771   9.3180  -0.1624   6.8266  -0.0702   8.0906  -0.3903   12.719   26.917   11.749   32.625   14.466 -5.708025 18.63598 
1 1 1    1   23   21 o   49.174   10.496   20.379   7.6514   23.224   9.1763   13.889   13.860   54.540   12.659   43.809   16.746 10.73035 20.99244 
1 1 1    1   23   22 o   43.067   10.199   14.955   7.4342   19.159   8.8746   5.0654   13.612   49.259   13.076   36.876   15.654 12.38279 20.39720 
1 1 1    1   23   23 o   34.008   9.4022   5.3270   7.1731   12.286   8.6421 -10.0851   12.861   40.185   13.469   27.830   13.122 12.35438 18.80443 
1 1 1    1   23   24 o   51.892   10.795   20.366   7.5863   17.071   9.0493   28.159   13.916   46.324   13.554   57.461   16.806 -11.13689 21.59061 
1 1 1    1   23   25 o   43.861   10.759   13.375   7.3411   9.9646   8.7850   21.267   13.365   37.361   13.510   50.361   16.748 -13.00048 21.51817 
1 1 1    1   23   26 o   26.159   8.3545  -4.1755   6.7159   2.4295   7.9968 -19.9838   12.371   28.770   12.094   23.548   11.530 5.222466 16.70893 
1 1 1    1   23   27 o   29.478   8.2564  -3.6327   6.9883   11.942   8.3924 -38.8535   12.620   39.532   13.273   19.425   9.8230 20.10622 16.51283 
1 1 1    1   23   28 o   40.699   10.602   11.872   7.3690   10.735   9.0153   14.161   12.792   38.226   13.703   43.171   16.181 -4.944927 21.20388 
1 1 1    1   23   29 f   31.551   12.890   4.6129   8.7327   4.6129   8.7327   0.0000   0.0000   31.551   12.890  ?   ?       ?      ? 
1 1 1    1   23   30 o   39.222   13.705   11.703   8.9695   11.703   8.9695   0.0000   0.0000   39.222   13.705  ?   ?       ?      ? 
1 1 1    1   23   31 o   41.768   13.965   13.833   9.2899   13.833   9.2899   0.0000   0.0000   41.768   13.965  ?   ?       ?      ? 
1 1 1    1   23   32 o   26.021   11.674  -1.7487   8.5384  -1.7487   8.5384   0.0000   0.0000   26.021   11.674  ?   ?       ?      ? 
1 1 1    1   23   33 o   35.986   13.399   9.1783   8.7424   9.1783   8.7424   0.0000   0.0000   35.986   13.399  ?   ?       ?      ? 
1 1 1    1   23   34 o   26.812   11.758   0.1621   8.1869   0.1621   8.1869   0.0000   0.0000   26.812   11.758  ?   ?       ?      ? 
1 1 1    1   23   35 o   47.948   13.599   19.020   9.2439   19.020   9.2439   0.0000   0.0000   47.948   13.599  ?   ?       ?      ? 
1 1 1    1   23   36 o   22.122   10.425  -6.7312   8.1014  -6.7312   8.1014   0.0000   0.0000   22.122   10.425  ?   ?       ?      ? 
1 1 1    1   23   37 o   52.400   13.208   22.701   9.3758   22.701   9.3758   0.0000   0.0000   52.400   13.208  ?   ?       ?      ? 
1 1 1    1   23   38 o   29.429   13.460  -2.6995   12.030  -2.6995   12.030   0.0000   0.0000   29.429   13.460  ?   ?       ?      ? 
1 1 1    1   23   39 o   46.757   16.414   19.825   12.873   19.825   12.873   0.0000   0.0000   46.757   16.414  ?   ?       ?      ? 
1 1 1    1   23   40 o   27.076   12.652  -5.7484   11.503  -5.7484   11.503   0.0000   0.0000   27.076   12.652  ?   ?       ?      ? 
1 1 1    1   23   41 o   42.809   16.029   16.237   12.546   16.237   12.546   0.0000   0.0000   42.809   16.029  ?   ?       ?      ? 
1 1 1    1   23   42 o   46.665   16.211   20.542   12.540   20.542   12.540   0.0000   0.0000   46.665   16.211  ?   ?       ?      ? 
1 1 1    1   23   43 o   24.963   11.906  -8.8775   11.193  -8.8775   11.193   0.0000   0.0000   24.963   11.906  ?   ?       ?      ? 
1 1 1    1   23   44 o   22.976   10.667  -3.8919   7.9695  -3.8919   7.9695   0.0000   0.0000   22.976   10.667  ?   ?       ?      ? 
1 1 1    1   23   45 o   22.752   10.592  -4.0359   7.9411  -4.0359   7.9411   0.0000   0.0000   22.752   10.592  ?   ?       ?      ? 
1 1 1    1   23   46 o   25.772   11.459   0.5412   8.0345   0.5412   8.0345   0.0000   0.0000   25.772   11.459  ?   ?       ?      ? 
1 1 1    1   23   47 o   20.823   9.9620  -7.3584   7.9649  -7.3584   7.9649   0.0000   0.0000   20.823   9.9620  ?   ?       ?      ? 
1 1 1    1   24    0 o   26.442   8.2642  -3.8843   5.8690  -9.2530   7.4247   5.0580   9.5822   19.910   9.5496   32.973   13.491 -13.06352 16.52848 
1 1 1    1   24    1 o   33.496   9.9976   4.2715   6.8437   4.2763   7.8070   4.2557   14.223   30.312   12.260   36.681   15.795 -6.369534 19.99523 
1 1 1    1   24    2 o   34.575   10.224   3.6316   6.9858   1.3196   8.0159   10.934   14.245   27.830   11.918   41.320   16.615 -13.48982 20.44715 
1 1 1    1   24    3 o   37.340   14.758   8.5562   11.049   8.5562   11.049   0.0000   0.0000   37.340   14.758  ?   ?       ?      ? 
1 1 1    1   24    4 o   27.518   11.817   1.1233   7.9189   1.1233   7.9189   0.0000   0.0000   27.518   11.817  ?   ?       ?      ? 
1 1 1    1   24    5 o   29.668   9.4354  -2.1894   6.7200  -4.0416   7.6881   3.8073   13.834   23.302   10.695   36.034   15.547 -12.73193 18.87074 
1 1 1    1   24    6 o   45.227   9.9767   15.823   6.6688   13.320   8.5369   19.741   10.682   41.351   13.365   49.103   14.816 -7.752083 19.95335 
1 1 1    1   24    7 o   44.283   9.7946   15.863   6.6259   18.200   8.5401   12.329   10.502   47.905   12.878   40.661   14.762 7.243633 19.58923 
1 1 1    1   24    8 o   29.717   8.7210   2.6046   6.0533   6.7112   7.8138  -3.5590   9.5728   32.888   12.573   26.546   12.089 6.341352 17.44200 
1 1 1    1   24    9 o   35.913   10.165   7.2732   6.8183   7.0296   7.9079   7.9787   13.461   33.317   12.669   38.509   15.899 -5.191536 20.32930 
1 1 1    1   24   10 o   36.897   10.026   4.7651   5.7564   1.6266   6.3466   19.326   13.670   25.598   10.768   48.196   16.915 -22.59795 20.05126 
1 1 1    1   24   11 o   45.096   10.177   9.3433   5.9682   4.6003   6.5581   32.204   14.398   29.140   11.416   61.053   16.851 -31.91214 20.35364 
1 1 1    1   24   12 o   32.622   9.8299   3.6935   6.7900   3.9806   7.7716   2.7677   13.957   29.885   12.179   35.359   15.433 -5.473986 19.65985 
1 1 1    1   24   13 o   32.347   9.6867   0.6998   6.4962  -2.8475   7.4782   11.609   13.114   23.688   10.748   41.005   16.119 -17.31677 19.37347 
1 1 1    1   24   14 o   29.198   9.1586   0.3772   6.6836   2.6946   7.6485  -7.1084   13.747   28.453   11.885   29.943   13.938 -1.489986 18.31719 
1 1 1    1   24   15 o   49.568   10.853   19.182   7.3657   17.404   8.5888   24.126   14.321   46.605   13.070   52.531   17.331 -5.926533 21.70670 
1 1 1    1   24   16 o   44.586   10.769   14.400   7.2046   11.494   8.4915   21.867   13.612   38.802   13.347   50.370   16.904 -11.56808 21.53852 
1 1 1    1   24   17 o   44.752   10.434   16.321   7.0448   16.989   8.2978   14.595   13.333   46.078   12.820   43.427   16.466 2.650978 20.86825 
1 1 1    1   24   18 o   54.350   10.411   20.870   7.4443   14.403   8.7895   37.281   14.002   42.437   13.545   66.264   15.813 -23.82687 20.82119 
1 1 1    1   24   19 o   38.663   10.163   11.112   7.0212   12.866   8.3903   7.0118   12.825   40.402   13.262   36.924   15.404 3.478565 20.32607 
1 1 1    1   24   20 o   47.052   10.332   18.814   7.2040   20.407   8.6618   15.238   12.975   50.429   12.686   43.675   16.311 6.753559 20.66346 
1 1 1    1   24   21 o   34.310   9.7961   6.7798   6.9502   8.5613   8.4894   3.1588   12.103   35.120   13.178   33.500   14.498 1.620186 19.59224 
1 1 1    1   24   22 o   60.975   11.779   29.100   9.3809   29.100   9.3809   0.0000   0.0000   60.975   11.779  ?   ?       ?      ? 
1 1 1    1   24   23 o   28.557   12.127   2.3615   8.1734   2.3615   8.1734   0.0000   0.0000   28.557   12.127  ?   ?       ?      ? 
1 1 1    1   24   24 o   38.978   13.373   11.973   8.5217   11.973   8.5217   0.0000   0.0000   38.978   13.373  ?   ?       ?      ? 
1 1 1    1   24   25 o   28.572   12.188   2.2725   8.3227   2.2725   8.3227   0.0000   0.0000   28.572   12.188  ?   ?       ?      ? 
1 1 1    1   24   26 o   29.263   12.316   3.1540   8.3095   3.1540   8.3095   0.0000   0.0000   29.263   12.316  ?   ?       ?      ? 
1 1 1    1   24   27 o   37.881   13.431   11.256   8.6382   11.256   8.6382   0.0000   0.0000   37.881   13.431  ?   ?       ?      ? 
1 1 1    1   24   28 o   44.511   13.595   16.642   8.9542   16.642   8.9542   0.0000   0.0000   44.511   13.595  ?   ?       ?      ? 
1 1 1    1   24   29 o   31.339   12.665   5.5924   8.3225   5.5924   8.3225   0.0000   0.0000   31.339   12.665  ?   ?       ?      ? 
1 1 1    1   24   30 o   36.340   13.248   10.247   8.4719   10.247   8.4719   0.0000   0.0000   36.340   13.248  ?   ?       ?      ? 
1 1 1    1   24   31 o   22.099   10.365  -5.5618   7.8413  -5.5618   7.8413   0.0000   0.0000   22.099   10.365  ?   ?       ?      ? 
1 1 1    1   24   32 o   40.252   13.409   13.660   8.5654   13.660   8.5654   0.0000   0.0000   40.252   13.409  ?   ?       ?      ? 
1 1 1    1   24   33 o   39.967   13.523   13.571   8.7117   13.571   8.7117   0.0000   0.0000   39.967   13.523  ?   ?       ?      ? 
1 1 1    1   24   34 o   29.882   12.507   4.4014   8.4955   4.4014   8.4955   0.0000   0.0000   29.882   12.507  ?   ?       ?      ? 
1 1 1    1   24   35 o   34.100   13.070   8.8466   8.4573   8.8466   8.4573   0.0000   0.0000   34.100   13.070  ?   ?       ?      ? 
1 1 1    1   24   36 o   24.817   11.257  -1.4174   8.1973  -1.4174   8.1973   0.0000   0.0000   24.817   11.257  ?   ?       ?      ? 
1 1 1    1   24   37 o   24.982   11.303  -1.0346   8.2019  -1.0346   8.2019   0.0000   0.0000   24.982   11.303  ?   ?       ?      ? 
1 1 1    1   24   38 o   38.230   13.345   12.899   8.5030   12.899   8.5030   0.0000   0.0000   38.230   13.345  ?   ?       ?      ? 
1 1 1    1   24   39 o   29.527   12.372   4.9568   8.3271   4.9568   8.3271   0.0000   0.0000   29.527   12.372  ?   ?       ?      ? 
1 1 1    1   24   40 o   34.086   13.172   9.6622   8.6398   9.6622   8.6398   0.0000   0.0000   34.086   13.172  ?   ?       ?      ? 
1 1 1    1   25    0 o   40.212   9.7113   13.213   6.4570   15.326   8.3446   10.061   10.193   43.180   13.110   37.244   14.331 5.936157 19.42263 
1 1 1    1   25    1 o   36.850   10.304   8.9955   7.5650   11.995   11.601   6.7766   9.9783   39.659   15.280   34.041   13.828 5.617786 20.60872 
1 1 1    1   25    2 o   37.201   9.4630   7.5175   7.4438  -6.8558   10.955   19.848   10.146   26.166   12.266   48.236   14.414 -22.06998 18.92603 
1 1 1    1   25    3 o   38.483   10.125   10.300   7.6948   1.6824   11.266   17.835   10.535   31.316   13.761   45.651   14.854 -14.33493 20.24924 
1 1 1    1   25    4 f   38.265   10.307   10.316   7.8113   3.7147   11.375   16.207   10.746   32.784   14.121   43.746   15.017 -10.96160 20.61357 
1 1 1    1   25    5 o   31.793   9.5457   3.4216   7.3648  -1.4934   10.952   7.4783   9.9502   28.978   13.091   34.608   13.896 -5.629967 19.09138 
1 1 1    1   25    6 o   42.118   10.445   14.672   7.6940   9.0088   11.511   19.245   10.344   36.916   14.903   47.320   14.639 -10.40452 20.88989 
1 1 1    1   25    7 o   29.285   8.9957   0.2855   7.0428  -7.4899   10.593   6.4462   9.4288   25.340   11.936   33.230   13.462 -7.890467 17.99144 
1 1 1    1   25    8 o   38.071   10.720   8.9542   8.4935   2.9813   11.328   16.623   12.836   32.147   13.969   43.995   16.264 -11.84752 21.43938 
1 1 1    1   25    9 o   44.515   10.150   17.769   7.4450   21.883   8.9380   8.4466   13.455   51.532   12.845   37.497   15.720 14.03530 20.30066 
1 1 1    1   25   10 o   30.430   12.456   4.7314   8.1737   4.7314   8.1737   0.0000   0.0000   30.430   12.456  ?   ?       ?      ? 
1 1 1    1   25   11 o   47.781   13.045   19.023   8.6835   19.023   8.6835   0.0000   0.0000   47.781   13.045  ?   ?       ?      ? 
1 1 1    1   25   12 f   34.458   9.4719   7.5647   7.0520   13.115   8.4648  -5.0270   12.749   39.961   13.331   28.955   13.460 11.00528 18.94389 
1 1 1    1   25   13 o   45.619   10.491   18.276   7.3021   19.077   8.8476   16.565   12.931   47.630   13.233   43.607   16.284 4.022404 20.98299 
1 1 1    1   25   14 o   34.992   13.206   9.0189   8.5513   9.0189   8.5513   0.0000   0.0000   34.992   13.206  ?   ?       ?      ? 
1 1 1    1   25   15 o   38.371   13.499   11.959   8.7090   11.959   8.7090   0.0000   0.0000   38.371   13.499  ?   ?       ?      ? 
1 1 1    1   25   16 o   24.547   11.127  -1.9855   7.9924  -1.9855   7.9924   0.0000   0.0000   24.547   11.127  ?   ?       ?      ? 
1 1 1    1   25   17 o   30.777   12.573   5.2504   8.3070   5.2504   8.3070   0.0000   0.0000   30.777   12.573  ?   ?       ?      ? 
1 1 1    1   25   18 o   23.536   10.870  -3.7435   8.1153  -3.7435   8.1153   0.0000   0.0000   23.536   10.870  ?   ?       ?      ? 
1 1 1    1   25   19 o   31.865   12.767   6.4266   8.3790   6.4266   8.3790   0.0000   0.0000   31.865   12.767  ?   ?       ?      ? 
1 1 1    1   25   20 o   29.121   12.263   3.7045   8.2475   3.7045   8.2475   0.0000   0.0000   29.121   12.263  ?   ?       ?      ? 
1 1 1    1   25   21 o   39.070   13.620   12.950   8.8562   12.950   8.8562   0.0000   0.0000   39.070   13.620  ?   ?       ?      ? 
1 1 1    1   25   22 o   35.689   13.422   10.101   8.8168   10.101   8.8168   0.0000   0.0000   35.689   13.422  ?   ?       ?      ? 
1 1 1    1   25   23 o   28.164   12.106   2.7329   8.3264   2.7329   8.3264   0.0000   0.0000   28.164   12.106  ?   ?       ?      ? 
1 1 1    1   25   24 o   31.141   12.619   6.1730   8.2857   6.1730   8.2857   0.0000   0.0000   31.141   12.619  ?   ?       ?      ? 
1 1 1    1   25   25 o   27.954   12.077   2.6122   8.3708   2.6122   8.3708   0.0000   0.0000   27.954   12.077  ?   ?       ?      ? 
1 1 1    1   25   26 o   20.525   9.8255  -7.6903   7.7743  -7.6903   7.7743   0.0000   0.0000   20.525   9.8255  ?   ?       ?      ? 
1 1 1    1   25   27 o   40.636   13.659   14.914   8.8868   14.914   8.8868   0.0000   0.0000   40.636   13.659  ?   ?       ?      ? 
1 1 1    1   25   28 o   15.904   7.9807 -18.8774   7.4974 -18.8774   7.4974   0.0000   0.0000   15.904   7.9807  ?   ?       ?      ? 
1 1 1    1   25   29 o   30.288   12.570   5.7231   8.4773   5.7231   8.4773   0.0000   0.0000   30.288   12.570  ?   ?       ?      ? 
1 1 1    1   25   30 o   39.317   13.674   14.313   8.9238   14.313   8.9238   0.0000   0.0000   39.317   13.674  ?   ?       ?      ? 
1 1 1    1   26    0 o   26.094   11.900  -1.3398   9.3161   0.0000   0.0000  -1.3398   9.3161  ?   ?    26.094   11.900      ?      ? 
1 1 1    1   26    1 o   29.505   12.577   4.1560   8.8514   0.0000   0.0000   4.1560   8.8514  ?   ?    29.505   12.577      ?      ? 
1 1 1    1   26    2 o   42.622   14.260   16.832   9.6862   0.0000   0.0000   16.832   9.6862  ?   ?    42.622   14.260      ?      ? 
1 1 1    1   26    3 o   26.372   11.905  -0.3559   9.0393   0.0000   0.0000  -0.3559   9.0393  ?   ?    26.372   11.905      ?      ? 
1 1 1    1   26    4 o   43.963   16.709   19.822   13.751   0.0000   0.0000   19.822   13.751  ?   ?    43.963   16.709      ?      ? 
1 1 1    1   26    5 o   26.766   12.633  -5.6257   11.975   0.0000   0.0000  -5.6257   11.975  ?   ?    26.766   12.633      ?      ? 
1 1 1    1   26    6 o   35.394   15.192   8.7768   13.077   0.0000   0.0000   8.7768   13.077  ?   ?    35.394   15.192      ?      ? 
1 1 1    1   26    7 o   26.935   12.606  -4.0398   11.494  -4.0398   11.494   0.0000   0.0000   26.935   12.606  ?   ?       ?      ? 
1 1 1    1   26    8 f   33.923   13.083   9.2407   8.5108   9.2407   8.5108   0.0000   0.0000   33.923   13.083  ?   ?       ?      ? 
1 1 1    1   26    9 o   23.211   10.715  -2.8096   7.8754  -2.8096   7.8754   0.0000   0.0000   23.211   10.715  ?   ?       ?      ? 
1 1 1    1   26   10 o   23.661   10.845  -2.0367   7.8672  -2.0367   7.8672   0.0000   0.0000   23.661   10.845  ?   ?       ?      ? 
1 1 1    1   26   11 o   25.442   11.340   0.4990   7.9192   0.4990   7.9192   0.0000   0.0000   25.442   11.340  ?   ?       ?      ? 
1 1 1    1   26   12 o   21.174   9.9910  -5.1723   7.4828  -5.1723   7.4828   0.0000   0.0000   21.174   9.9910  ?   ?       ?      ? 
1 1 1    1   26   13 o   24.005   10.976  -1.6006   7.9926  -1.6006   7.9926   0.0000   0.0000   24.005   10.976  ?   ?       ?      ? 
1 1 1    2    0    3 o  ?   ?   -0.6967   0.1603  -0.6967   0.1603   0.0000   0.0000  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    2    0    7 o  399.076   7.4769  1081.64   40.371  1087.22   57.235  1076.13   56.951  400.101   10.573  398.050   10.575 -0.000000 0.000000 
1 1 1    2    0    8 o  628.978   10.558  2681.35   89.790  2566.17  123.683  2809.71  130.560  614.706   14.867  643.251   14.996 -0.000000 0.000000 
1 1 1    2    0    9 o  232.030   5.6220  366.087   17.629  373.171   25.068  359.157   24.795  234.262   7.9171  229.798   7.9841 -0.000000 0.000000 
1 1 1    2    0   10 f  233.895   5.6514  371.986   17.864  378.819   25.411  365.310   25.117  236.028   7.9653  231.761   8.0192 -0.000000 0.000000 
1 1 1    2    0   11 o  140.372   4.9646  134.538   9.3831  128.126   13.200  141.088   13.341  136.945   7.1575  143.800   6.8819 -0.000000 0.000000 
1 1 1    2    0   12 o  2274.37   35.324 35348.73  1087.54 35255.81  1535.06 35442.37  1540.97  2271.38   49.926  2277.36   49.986 -0.000000 0.000000 
1 1 1    2    0   13 o  2592.55   40.309 46007.06  1413.81 44699.86  1959.11 47427.68  2042.33  2554.28   56.662  2630.82   57.348 -0.000000 0.000000 
1 1 1    2    0   14 o  647.338   10.837  2845.92   94.938  2815.24  133.427  2877.38  135.115  643.800   15.313  650.876   15.338 -0.000000 0.000000 
1 1 1    2    0   15 o  688.248   16.147  3217.74  150.411   0.0000   0.0000  3217.74  150.411  688.248   16.147  688.248   16.147 -0.000000 0.000000 
1 1 1    2    0   16 o  698.809   11.575  3315.79  109.449  3396.09  157.070  3240.01  152.595  707.037   16.413  690.582   16.326 -0.000000 0.000000 
1 1 1    2    0   17 o  128.396   5.0892  112.806   8.7851  107.850   12.392  117.813   12.456  125.509   7.3436  131.284   7.0479 -0.000000 0.000000 
1 1 1    2    0   18 o   92.944   5.2703   59.943   6.4552   49.483   9.0321   70.865   9.2291   84.304   8.0763  101.585   6.7733 -0.000000 0.000000 
1 1 1    2    0   19 o  716.302   11.838  3487.04  114.762  3446.34  161.102  3528.98  163.522  712.055   16.716  720.549   16.767 -0.000000 0.000000 
1 1 1    2    0   20 o   95.740   5.3107   63.187   6.7773   68.839   9.7680   57.940   9.4110   99.988   7.2983   91.492   7.7167 -0.000000 0.000000 
1 1 1    2    0   21 o  260.058   8.5582  459.957   30.086  459.957   30.086   0.0000   0.0000  260.058   8.5582  260.058   8.5582 -0.000000 0.000000 
1 1 1    2    0   22 o  367.222   10.201  916.533   50.673  916.533   50.673   0.0000   0.0000  367.222   10.201  367.222   10.201 -0.000000 0.000000 
1 1 1    2    0   23 o  129.236   5.2933  114.450   9.1808  106.160   12.939  122.856   13.029  124.425   7.7423  134.047   7.2203 -0.000000 0.000000 
1 1 1    2    0   24 o  140.274   5.3410  134.614   10.072  126.567   14.200  142.762   14.288  135.980   7.7642  144.568   7.3365 -0.000000 0.000000 
1 1 1    2    0   25 o  258.984   6.0957  455.939   21.332  471.833   30.591  440.893   29.763  263.393   8.5911  254.576   8.6499 -0.000000 0.000000 
1 1 1    2    0   26 o  431.589   8.0288  1265.84   46.883  1256.19   66.111  1275.62   66.496  429.928   11.365  433.250   11.344 -0.000000 0.000000 
1 1 1    2    0   27 o  305.853   6.5953  635.833   27.274  621.416   38.292  650.678   38.857  302.321   9.3671  309.385   9.2871 -0.000000 0.000000 
1 1 1    2    0   28 o  124.649   5.6008  106.844   9.3270   95.110   13.146  118.737   13.235  117.573   8.3478  131.725   7.4693 -0.000000 0.000000 
1 1 1    2    0   29 o  346.675   7.0646  816.713   33.125  822.578   47.135  810.989   46.561  347.905   10.016  345.445   9.9651 -0.000000 0.000000 
1 1 1    2    0   30 o  1474.66   23.134 14827.87  461.738 15022.63  659.085 14640.14  647.074  1484.15   32.806  1465.16   32.627 -0.000000 0.000000 
1 1 1    2    0   31 o  877.398   14.210  5232.79  168.743  5297.29  240.635  5170.38  236.693  882.719   20.140  872.077   20.052 -0.000000 0.000000 
1 1 1    2    0   32 o  312.912   6.7909  663.048   28.680  713.258   42.090  619.529   39.185  323.959   9.6066  301.865   9.6011 -0.000000 0.000000 
1 1 1    2    0   33 o  366.602   10.348  913.212   51.314   0.0000   0.0000  913.212   51.314  366.602   10.348  366.602   10.348 -0.000000 0.000000 
1 1 1    2    0   34 o  134.978   5.9106  124.740   10.709  130.809   15.447  119.123   14.859  138.179   8.3184  131.777   8.3991 -0.000000 0.000000 
1 1 1    2    0   36 o  618.873   14.965  2602.22  125.343  2602.22  125.343   0.0000   0.0000  618.873   14.965  618.873   14.965 -0.000000 0.000000 
1 1 1    2    0   37 o  240.155   6.2108  392.447   20.147  403.768   28.649  381.370   28.338  243.605   8.7036  236.706   8.8626 -0.000000 0.000000 
1 1 1    2    0   39 o  311.450   9.7141  659.493   40.909  659.493   40.909   0.0000   0.0000  311.450   9.7141  311.450   9.7141 -0.000000 0.000000 
1 1 1    2    0   40 o  804.289   13.200  4398.91  143.691  4400.42  203.471  4397.41  202.950  804.424   18.688  804.155   18.646 -0.000000 0.000000 
1 1 1    2    0   41 f  681.561   11.486  3144.57  105.712  3368.49  155.970  2954.30  143.773  703.929   16.370  659.193   16.116 -0.000000 0.000000 
1 1 1    2    0   42 o  225.985   6.2484  347.560   19.061  360.662   27.337  335.162   26.592  230.152   8.7941  221.818   8.8789 -0.000000 0.000000 
1 1 1    2    0   43 o  1324.59   20.935 11976.64  375.310 12156.83  536.393 11803.82  525.318  1334.33   29.698  1314.85   29.516 -0.000000 0.000000 
1 1 1    2    0   44 o  284.898   6.7160  550.204   25.790  496.149   35.418  611.216   37.628  269.981   9.7092  299.816   9.2816 -0.000000 0.000000 
1 1 1    2    0   45 f  782.433   12.930  4155.38  136.724  4378.75  200.108  3959.80  187.246  802.105   18.432  762.760   18.138 -0.000000 0.000000 
1 1 1    2    0   46 o  130.926   6.4777  116.772   11.259  140.126   16.792   97.701   15.175  142.961   8.7428  118.891   9.5607 -0.000000 0.000000 
1 1 1    2    0   47 o  1202.64   19.146  9889.64  311.660  9937.08  442.414  9842.91  439.112  1205.49   27.113  1199.78   27.039 -0.000000 0.000000 
1 1 1    2    0   48 f  519.750   9.3516  1832.43   65.676  1725.62   90.152  1953.22   95.871  503.625   13.230  535.875   13.220 -0.000000 0.000000 
1 1 1    2    0   49 o  1027.04   23.368  7208.39  324.844   0.0000   0.0000  7208.39  324.844  1027.04   23.368  1027.04   23.368 -0.000000 0.000000 
1 1 1    2    0   50 o  479.098   12.478  1561.86   80.885   0.0000   0.0000  1561.86   80.885  479.098   12.478  479.098   12.478 -0.000000 0.000000 
1 1 1    2    0   51 o  136.152   6.3531  127.551   11.588  121.447   16.505  133.486   16.273  132.831   9.2730  139.473   8.6868 -0.000000 0.000000 
1 1 1    2    0   52 o  367.343   7.5537  914.613   37.441  836.467   51.231  1004.21   54.855  350.509   10.809  384.178   10.555 -0.000000 0.000000 
1 1 1    2    0   53 o  190.889   6.2752  248.191   16.131  264.789   23.503  233.412   22.178  196.949   8.8468  184.828   8.9019 -0.000000 0.000000 
1 1 1    2    0   54 o  268.651   6.6816  489.688   24.205  531.904   35.522  453.096   33.072  279.462   9.4040  257.840   9.4942 -0.000000 0.000000 
1 1 1    2    0   55 o  369.965   10.849  932.148   54.287  932.148   54.287   0.0000   0.0000  369.965   10.849  369.965   10.849 -0.000000 0.000000 
1 1 1    2    0   56 o   97.290   7.5224   66.564   9.6089   66.482   13.838   66.641   13.353   97.156   10.858   97.425   10.414 -0.000000 0.000000 
1 1 1    2    0   57 o  405.441   8.0209  1119.97   43.988  1103.75   62.153  1136.25   62.263  402.478   11.416  408.403   11.270 -0.000000 0.000000 
1 1 1    2    0   58 o  583.565   10.270  2324.26   81.095  2343.19  115.623  2305.93  113.772  585.891   14.583  581.240   14.465 -0.000000 0.000000 
1 1 1    2    0   59 o  141.331   6.5915  137.854   12.454  128.205   17.867  146.973   17.369  136.333   9.7866  146.329   8.8326 -0.000000 0.000000 
1 1 1    2    0   60 o  324.950   7.2189  719.623   31.697  684.968   44.448  755.482   45.214  316.937   10.374  332.964   10.041 -0.000000 0.000000 
1 1 1    2    0   61 o   84.100   8.3342   50.778   8.9345   51.833   13.200   49.886   12.137   84.760   12.233   83.440   11.322 -0.000000 0.000000 
1 1 1    2    0   62 o  140.827   6.6337  137.195   12.442  120.435   17.663  153.704   17.530  131.982   10.008  149.673   8.7103 -0.000000 0.000000 
1 1 1    2    0   63 o  232.431   6.5437  368.567   20.523  377.103   29.691  360.759   28.400  234.998   9.3573  229.864   9.1501 -0.000000 0.000000 
1 1 1    2    0   64 o  214.343   6.5465  310.938   18.836  355.429   28.217  275.180   25.297  228.132   9.1609  200.553   9.3544 -0.000000 0.000000 
1 1 1    2    0   65 o  170.814   8.9604  199.937   20.611   0.0000   0.0000  199.937   20.611  170.814   8.9604  170.814   8.9604 -0.000000 0.000000 
1 1 1    2    0   67 o  209.801   6.6895  301.607   18.862  271.237   26.513  332.730   26.840  198.932   9.8908  220.670   9.0096 -0.000000 0.000000 
1 1 1    2    0   68 o  195.955   6.6372  262.942   17.525  264.533   25.185  261.448   24.402  196.506   9.5085  195.404   9.2626 -0.000000 0.000000 
1 1 1    2    0   69 o  183.969   6.7816  231.494   16.775  248.867   24.472  216.095   23.039  190.526   9.5327  177.411   9.6483 -0.000000 0.000000 
1 1 1    2    0   70 o  195.306   9.7400  261.640   25.632  261.640   25.632   0.0000   0.0000  195.306   9.7400  195.306   9.7400 -0.000000 0.000000 
1 1 1    2    0   71 o  215.412   6.7957  317.898   19.743  309.106   27.803  326.841   28.040  212.366   9.7074  218.458   9.5129 -0.000000 0.000000 
1 1 1    2    0   72 o  147.509   6.9731  150.508   13.771  144.386   19.763  156.285   19.200  144.449   10.214  150.569   9.4964 -0.000000 0.000000 
1 1 1    2    0   73 o  214.902   6.7579  317.010   19.533  287.568   27.424  347.328   27.829  204.599   9.9447  225.205   9.1532 -0.000000 0.000000 
1 1 1    2    0   74 o  358.057   7.7171  877.068   37.319  920.775   54.469  838.400   51.233  366.438   10.991  349.677   10.835 -0.000000 0.000000 
1 1 1    2    0   75 o  226.211   6.7570  350.342   20.598  369.620   30.146  333.459   28.211  232.041   9.6248  220.380   9.4863 -0.000000 0.000000 
1 1 1    2    0   77 o  157.672   6.8847  171.976   14.564  174.287   21.178  169.902   20.062  158.617   9.9420  156.728   9.5265 -0.000000 0.000000 
1 1 1    2    0   78 o  170.351   6.8107  200.637   15.592  202.613   22.604  198.843   21.535  171.089   9.8236  169.614   9.4359 -0.000000 0.000000 
1 1 1    2    0   79 o  119.576   10.398  100.466   16.556   0.0000   0.0000  100.466   16.556  119.576   10.398  119.576   10.398 -0.000000 0.000000 
1 1 1    2    0   80 o  275.353   9.9388  523.610   36.976   0.0000   0.0000  523.610   36.976  275.353   9.9388  275.353   9.9388 -0.000000 0.000000 
1 1 1    2    0   81 o  155.532   6.8482  168.051   14.288  177.080   20.836  160.036   19.630  159.493   9.7231  151.571   9.6465 -0.000000 0.000000 
1 1 1    2    0   82 o  134.797   7.2681  128.015   12.916  104.344   17.939  153.493   18.611  121.192   11.139  148.403   9.3392 -0.000000 0.000000 
1 1 1    2    0   83 o  132.897   7.2373  124.297   12.830  134.797   18.479  114.525   17.827  138.533   9.9616  127.261   10.501 -0.000000 0.000000 
1 1 1    2    0   84 o   66.227   16.723   36.346   12.979   36.346   12.979   0.0000   0.0000   66.227   16.723   66.227   16.723 -0.000000 0.000000 
1 1 1    2    0   85 o   31.953   12.366   10.745   7.6561   11.674   11.122   9.9083   10.555   33.026   17.837   30.880   17.132 -0.000000 0.000000 
1 1 1    2    0   86 o   59.662   12.547   31.336   8.9097   37.351   13.094   26.150   12.158   66.976   16.673   52.349   18.753 -0.000000 0.000000 
1 1 1    2    0   87 o   19.292   9.2285  -5.6177   7.2311   1.1620   10.416 -11.9243   10.046   22.721   14.641   15.862   11.239 -0.000000 0.000000 
1 1 1    2    0   88 o   34.116   12.812   12.839   7.9769   14.059   11.759   11.799   10.857   35.451   18.577   32.781   17.649 -0.000000 0.000000 
1 1 1    2    0   89 o   24.319   10.642   0.3642   7.3958   10.602   11.269  -7.3820   9.8022   31.382   17.594   17.257   11.979 -0.000000 0.000000 
1 1 1    2    0   90 o   79.187   10.415   49.937   9.8309   42.697   14.130   56.730   13.687   71.546   16.771   86.827   12.355 -0.000000 0.000000 
1 1 1    2    0   91 o   16.469   11.520  -8.4165   9.5464   0.0000   0.0000  -8.4165   9.5464   16.469   11.520   16.469   11.520 -0.000000 0.000000 
1 1 1    2    0   92 o   44.289   18.845   20.966   11.497   0.0000   0.0000   20.966   11.497   44.289   18.845   44.289   18.845 -0.000000 0.000000 
1 1 1    2    0   93 o   40.018   18.996   18.274   11.723   0.0000   0.0000   18.274   11.723   40.018   18.996   40.018   18.996 -0.000000 0.000000 
1 1 1    2    0   94 o   25.870   15.969   5.5548   10.990   0.0000   0.0000   5.5548   10.990   25.870   15.969   25.870   15.969 -0.000000 0.000000 
1 1 1    2    1    0 o  326.484   15.270  399.471   39.412   2.7258   43.270  2330.96   95.473   66.630   28.076  586.338   12.016 -519.7077 30.53928 
1 1 1    2    1    1 o  409.668   18.209  535.434   56.133   4.6408   60.636  3716.64  148.444   79.083   33.275  740.253   14.798 -661.1702 36.41710 
1 1 1    2    1    2 o  371.222   17.169  478.559   47.578   17.843   51.757  2991.25  120.871   78.289   31.602  664.155   13.430 -585.8659 34.33759 
1 1 1    2    1    3 o  234.229   7.9593  371.844   25.264  371.844   25.264   0.0000   0.0000  234.229   7.9593  ?   ?       ?      ? 
1 1 1    2    1    4 o  1040.50   23.336  7354.35  329.044  7354.35  329.044   0.0000   0.0000  1040.50   23.336  ?   ?       ?      ? 
1 1 1    2    1    5 o  334.570   5.7638  746.764   24.473  792.404   43.556  725.707   29.585  341.905   9.4007  327.234   6.6717 14.67133 11.52754 
1 1 1    2    1    6 o  589.984   7.0618  2359.62   56.459  2361.39   79.857  2357.85   79.834  590.205   9.9846  589.763   9.9892 0.4413452 14.12356 
1 1 1    2    1    7 o  1109.41   12.396  8352.05  186.355  8361.01  263.744  8343.12  263.348  1110.00   17.534  1108.82   17.526 1.187744 24.79110 
1 1 1    2    1    8 o  644.350   7.5980  2814.72   66.343  2799.46   93.486  2830.20   94.164  642.592   10.736  646.109   10.755 -3.517395 15.19591 
1 1 1    2    1    9 o  1409.19   15.555 13487.29  297.028 13345.32  416.980 13633.53  423.210  1401.67   21.953  1416.71   22.044 -15.04053 31.11038 
1 1 1    2    1   10 o  1134.25   12.648  8730.58  194.396  8838.53  277.185  8626.09  272.705  1141.14   17.925  1127.35   17.851 13.78967 25.29685 
1 1 1    2    1   11 o  1386.69   15.324 13062.98  287.949 13009.70  406.000 13116.90  408.454  1383.84   21.650  1389.53   21.692 -5.682617 30.64715 
1 1 1    2    1   12 o  225.854   5.5816  345.692   17.083   0.0000   0.0000  345.692   17.083  ?   ?   225.854   5.5816      ?      ? 
1 1 1    2    1   13 o  437.608   6.8919  1286.32   38.371  1332.95   67.590  1264.14   46.610  443.364   11.250  431.853   7.9646 11.51154 13.78371 
1 1 1    2    1   14 o  2147.87   23.563 31485.67  685.775 31813.56  976.929 31167.13  962.889  2158.86   33.393  2136.88   33.252 21.97949 47.12503 
1 1 1    2    1   15 o  537.673   6.5831  1959.83   47.963  1940.24   67.421  1979.90   68.248  534.953   9.3002  540.392   9.3196 -5.438904 13.16623 
1 1 1    2    1   16 o  764.552   10.797  3917.68  104.455  3830.70  126.113  4107.73  186.415  751.448   12.384  777.655   17.689 -26.20679 21.59363 
1 1 1    2    1   17 f  629.557   9.1786  2704.52   74.087  2736.79   91.352  2642.51  126.639  635.229   10.612  623.886   14.979 11.34308 18.35714 
1 1 1    2    1   18 o  1289.78   14.326 11316.35  250.378 11187.04  351.307 11449.85  356.938  1282.31   20.217  1297.26   20.304 -14.95203 28.65265 
1 1 1    2    1   19 o  351.460   6.0265  828.749   26.934  812.443   32.684  863.258   47.548  346.178   6.9670  356.741   9.8355 -10.56320 12.05308 
1 1 1    2    1   20 o  416.429   6.7377  1178.24   35.848  1182.03   43.943  1170.72   61.981  417.511   7.7667  415.347   11.012 2.164612 13.47537 
1 1 1    2    1   21 o  231.271   4.0757  362.527   12.771  371.883   18.168  353.388   17.957  234.221   5.7240  228.321   5.8036 5.900085 8.151423 
1 1 1    2    1   22 o  435.321   6.9901  1302.44   39.130  1232.42   65.905  1340.56   48.629  426.060   11.415  444.581   8.0716 -18.52151 13.98026 
1 1 1    2    1   23 o  361.562   6.1992  892.028   28.700  870.865   49.180  902.957   35.342  358.218   10.131  364.907   7.1470 -6.689087 12.39845 
1 1 1    2    1   24 o  366.137   5.0936  908.980   25.271  921.052   35.928  897.159   35.553  368.543   7.1939  363.731   7.2130 4.812378 10.18722 
1 1 1    2    1   25 o  194.227   3.9317  255.702   10.348  251.945   14.564  259.533   14.705  192.786   5.5747  195.668   5.5459 -2.882095 7.863467 
1 1 1    2    1   26 o  276.725   4.4262  519.142   16.598  518.886   23.447  519.400   23.500  276.656   6.2542  276.793   6.2650 -0.1368713 8.852407 
1 1 1    2    1   27 o  402.266   5.4170  1097.14   29.528  1111.10   41.994  1083.48   41.527  404.799   7.6554  399.734   7.6661 5.064636 10.83394 
1 1 1    2    1   28 o  748.529   8.7104  3802.77   88.353  3780.31  124.448  3825.61  125.458  746.301   12.305  750.757   12.332 -4.455933 17.42088 
1 1 1    2    1   29 o  1309.32   14.551 11665.43  258.185 11721.16  366.251 11610.39  364.017  1312.43   20.593  1306.22   20.565 6.208618 29.10298 
1 1 1    2    1   30 o  508.737   7.8427  1774.35   51.306  1817.08   63.667  1695.21   86.648  517.661   9.0758  499.812   12.793 17.84857 15.68532 
1 1 1    2    1   31 o  566.168   13.843  2175.57  106.208   0.0000   0.0000  2175.57  106.208  ?   ?   566.168   13.843      ?      ? 
1 1 1    2    1   32 o  998.225   15.990  6766.31  216.298   0.0000   0.0000  6766.31  216.298  ?   ?   998.225   15.990      ?      ? 
1 1 1    2    1   33 o  973.636   11.036  6435.72  145.599  6495.92  207.038  6376.82  204.797  978.138   15.620  969.133   15.594 9.005127 22.07131 
1 1 1    2    1   34 o  837.658   11.795  4765.82  126.263  4766.65  154.710  4764.16  218.497  838.093   13.622  837.223   19.258 0.8702393 23.58917 
1 1 1    2    1   35 o  730.064   8.5466  3615.82   84.553  3598.60  119.188  3633.27  119.969  728.315   12.076  731.813   12.097 -3.498108 17.09323 
1 1 1    2    1   36 o  378.865   5.3041  973.030   27.231  979.654   38.625  966.483   38.398  380.147   7.4978  377.583   7.5044 2.564117 10.60815 
1 1 1    2    1   37 o  314.853   5.8801  663.851   23.520  648.934   28.496  695.730   41.658  309.407   6.7962  320.300   9.5976 -10.89279 11.76020 
1 1 1    2    1   38 o  297.554   5.7841  599.577   21.937  598.154   26.789  602.474   38.219  297.053   6.6550  298.056   9.4623 -1.003052 11.56827 
1 1 1    2    1   39 o  248.363   5.3748  410.171   17.019  441.692   30.116  395.383   20.628  255.215   8.7079  241.512   6.3028 13.70219 10.74956 
1 1 1    2    1   40 o  465.024   12.162  1467.75   76.644   0.0000   0.0000  1467.75   76.644  ?   ?   465.024   12.162      ?      ? 
1 1 1    2    1   41 o  332.472   10.050  749.925   45.281   0.0000   0.0000  749.925   45.281  ?   ?   332.472   10.050      ?      ? 
1 1 1    2    1   42 o  771.835   9.0039  4044.61   94.166  3992.29  132.018  4098.79  134.353  766.758   12.706  776.911   12.761 -10.15247 18.00777 
1 1 1    2    1   43 o  888.762   10.186  5367.94  122.681  5350.19  173.104  5385.86  173.892  887.287   14.397  890.237   14.414 -2.949646 20.37236 
1 1 1    2    1   44 o  310.255   6.8943  652.702   28.986  652.702   28.986   0.0000   0.0000  310.255   6.8943  ?   ?       ?      ? 
1 1 1    2    1   45 o  478.565   6.2063  1553.19   40.241  1518.03   56.220  1590.12   57.624  473.015   8.7707  484.115   8.7835 -11.10010 12.41269 
1 1 1    2    1   46 o  280.313   4.6916  532.766   17.820  542.624   25.369  523.165   25.036  282.873   6.6181  277.753   6.6516 5.119537 9.383153 
1 1 1    2    1   47 o  288.762   6.6931  565.518   26.191   0.0000   0.0000  565.518   26.191  ?   ?   288.762   6.6931      ?      ? 
1 1 1    2    1   48 o  224.057   5.2984  326.974   15.142  380.579   27.182  302.855   18.233  236.798   8.4707  211.316   6.3671 25.48177 10.59687 
1 1 1    2    1   49 o  180.548   6.2534  221.098   15.300  221.098   15.300   0.0000   0.0000  180.548   6.2534  ?   ?       ?      ? 
1 1 1    2    1   50 o  390.073   5.5206  1032.48   29.176  1018.47   40.765  1047.20   41.776  387.364   7.7657  392.781   7.8487 -5.417389 11.04124 
1 1 1    2    1   51 o  466.065   7.5503  1501.89   45.412  1563.88   56.865  1392.74   75.453  479.842   8.7451  452.289   12.311 27.55389 15.10057 
1 1 1    2    1   52 o  255.720   4.6013  443.671   15.944  452.457   22.682  435.090   22.415  258.224   6.4820  253.217   6.5324 5.006973 9.202598 
1 1 1    2    1   53 o  321.460   5.0073  701.109   21.807  682.282   30.434  720.974   31.262  317.027   7.0840  325.893   7.0789 -8.865601 10.01465 
1 1 1    2    1   54 o  308.119   6.0596  636.683   23.657  621.792   28.590  669.018   42.129  302.635   6.9713  313.603   9.9133 -10.96796 12.11914 
1 1 1    2    1   55 o  616.073   7.5350  2583.80   62.899  2625.22   89.774  2543.86   88.154  620.918   10.669  611.229   10.643 9.689087 15.06991 
1 1 1    2    1   56 o  230.340   5.5524  355.789   16.248  374.062   28.792  347.251   19.682  234.513   9.0598  226.167   6.4218 8.346191 11.10489 
1 1 1    2    1   57 o  266.756   6.6342  483.204   23.982   0.0000   0.0000  483.204   23.982  ?   ?   266.756   6.6342      ?      ? 
1 1 1    2    1   58 f  273.925   4.7437  509.553   17.607  500.119   24.748  519.223   25.056  271.355   6.7301  276.494   6.6871 -5.138458 9.487439 
1 1 1    2    1   59 o  291.310   4.8535  576.375   19.157  562.387   26.866  590.845   27.324  287.713   6.8905  294.908   6.8370 -7.195770 9.706944 
1 1 1    2    1   60 o  111.489   4.8494   84.349   7.3172   90.614   10.539   78.517   10.167  115.486   6.7341  107.491   6.9799 7.994995 9.698840 
1 1 1    2    1   61 o   83.103   5.5573   46.950   6.2566   48.326   8.9710   45.647   8.7303   84.287   7.8541   81.918   7.8644 2.369499 11.11466 
1 1 1    2    1   62 o  142.973   4.6326  138.965   8.9707  134.118   12.713  143.771   12.660  140.481   6.6781  145.465   6.4224 -4.984207 9.265191 
1 1 1    2    1   63 o  234.280   4.6446  372.931   14.739  357.028   20.667  389.391   21.025  229.189   6.6542  239.370   6.4816 -10.18124 9.289260 
1 1 1    2    1   64 o  642.448   9.6503  2835.52   79.217  2835.16  136.969  2835.71   97.106  640.940   15.770  643.956   11.128 -3.015503 19.30053 
1 1 1    2    1   65 f  217.446   4.6296  321.438   13.641  316.206   19.232  326.735   19.351  215.661   6.5807  219.230   6.5136 -3.568726 9.259209 
1 1 1    2    1   66 o  137.830   5.9318  132.957   10.510  141.840   13.208  117.626   17.353  144.415   6.7492  131.245   9.7567 13.16957 11.86357 
1 1 1    2    1   67 o  213.215   5.7557  318.329   15.751  339.573   19.759  281.308   26.084  223.457   6.5253  202.973   9.4833 20.48468 11.51138 
1 1 1    2    1   68 o  148.244   4.8262  149.406   9.6806  161.257   13.903  138.255   13.487  153.959   6.6639  142.529   6.9829 11.43085 9.652356 
1 1 1    2    1   69 o  174.416   5.8439  209.140   13.002  212.514   15.973  202.514   22.386  176.718   6.6700  172.113   9.5978 4.604370 11.68788 
1 1 1    2    1   70 o  151.870   4.8330  157.027   9.9460  158.536   14.157  155.556   13.976  152.589   6.8465  151.150   6.8233 1.438080 9.666077 
1 1 1    2    1   71 o  145.471   6.0704  147.331   11.146  136.831   19.356  152.541   13.634  141.284   10.110  149.657   6.7227 -8.373001 12.14087 
1 1 1    2    1   72 o  187.753   4.7597  239.447   12.090  257.586   17.661  223.449   16.586  194.428   6.7032  181.078   6.7593 13.34955 9.519476 
1 1 1    2    1   73 o  380.243   5.6148  988.323   28.932  990.526   41.051  986.149   40.782  380.657   7.9581  379.830   7.9231 0.8271179 11.22968 
1 1 1    2    1   74 o  299.341   5.0609  612.020   20.529  611.883   29.118  612.156   28.948  299.300   7.1791  299.381   7.1352 -0.8132935E-01 10.12181 
1 1 1    2    1   75 o  293.251   5.0278  587.800   19.979  594.221   28.443  581.548   28.069  294.829   7.1192  291.674   7.1015 3.154480 10.05550 
1 1 1    2    1   76 o  183.482   4.7210  230.041   11.736  235.221   16.770  225.067   16.431  185.508   6.6711  181.457   6.6818 4.050751 9.441958 
1 1 1    2    1   77 o  227.020   4.7785  352.787   14.699  348.156   20.855  357.358   20.720  225.517   6.8243  228.523   6.6907 -3.006256 9.557047 
1 1 1    2    1   78 o   74.982   7.6937   36.218   7.4910   51.040   13.074   28.973   9.1401   85.445   11.291   64.519   10.454 20.92603 15.38740 
1 1 1    2    1   79 o  332.934   5.3499  762.850   24.133  778.097   34.514  748.264   33.757  336.181   7.5759  329.687   7.5559 6.494019 10.69982 
1 1 1    2    1   80 o  195.198   5.8062  269.358   14.587  283.943   18.304  243.976   24.147  203.299   6.6440  187.098   9.5240 16.20119 11.61249 
1 1 1    2    1   81 o  137.374   5.8619  129.009   10.445  124.368   12.914  137.791   17.763  134.290   7.0963  140.458   9.3322 -6.167892 11.72386 
1 1 1    2    1   82 o  189.114   4.8002  246.724   12.294  258.773   17.505  234.998   17.269  193.730   6.6679  184.499   6.9069 9.230179 9.600302 
1 1 1    2    1   83 o  170.547   5.9496  205.145   12.942  209.233   15.938  197.232   22.176  173.981   6.7601  167.113   9.7925 6.868301 11.89929 
1 1 1    2    1   84 o  131.316   5.1285  119.889   9.0802  104.811   12.659  135.869   13.032  122.638   7.6169  139.994   6.8695 -17.35566 10.25708 
1 1 1    2    1   85 o   69.226   8.8003   36.826   7.3636   32.587   13.035   38.813   8.9240   64.339   15.193   74.114   8.8854 -9.774361 17.60052 
1 1 1    2    1   86 o   87.840   5.8224   54.384   6.9287   52.864   9.7821   55.914   9.8154   86.564   8.3389   89.115   8.1279 -2.550117 11.64475 
1 1 1    2    1   87 o   80.756   6.1085   46.337   6.6774   44.476   9.5180   48.140   9.3702   79.052   8.8849   82.460   8.3854 -3.407883 12.21704 
1 1 1    2    1   88 o   85.996   6.1189   52.919   7.0074   41.523   9.7691   64.997   10.057   75.987   9.4871   96.006   7.7302 -20.01944 12.23772 
1 1 1    2    1   89 o   63.812   7.6546   30.519   6.3754   36.184   9.0135   24.847   9.0187   70.853   9.3875   56.771   12.093 14.08266 15.30927 
1 1 1    2    1   90 o   54.179   9.2444   25.315   7.1465   12.645   11.949   32.372   8.9172   41.676   15.635   66.682   9.8682 -25.00624 18.48880 
1 1 1    2    1   91 o   41.323   9.8696   10.998   6.5394   21.317   11.256   5.7418   8.0343   50.657   15.192   31.990   12.603 18.66633 19.73919 
1 1 1    2    1   92 o   47.917   10.994   18.831   8.3924   25.225   12.187   13.064   11.574   54.399   15.676   41.434   15.419 12.96513 21.98759 
1 1 1    2    1   93 o   40.747   10.783   12.217   8.2071   17.424   11.882   7.4667   11.349   45.503   15.781   35.990   14.698 9.513500 21.56590 
1 1 1    2    1   94 o   38.836   15.542   10.615   12.402   10.615   12.402   0.0000   0.0000   38.836   15.542  ?   ?       ?      ? 
1 1 1    2    2    0 o  2072.21   32.089 29238.87  901.090   0.0000   0.0000 29238.87  901.090  ?   ?   2072.21   32.089      ?      ? 
1 1 1    2    2    1 o  751.780   10.641  3821.39  101.933  3869.48  178.027  3797.93  124.331  755.150   17.397  748.411   12.259 6.739624 21.28218 
1 1 1    2    2    2 o  316.344   5.6477  677.305   22.784  681.143   39.664  675.415   27.835  316.995   9.2333  315.693   6.5064 1.302826 11.29545 
1 1 1    2    2    3 o  827.562   11.593  4655.02  122.744  4620.56  211.596  4672.49  150.689  825.070   18.925  830.055   13.397 -4.985168 23.18663 
1 1 1    2    2    4 o  229.489   3.9626  356.868   12.323  362.445   17.508  351.393   17.346  231.266   5.5866  227.712   5.6213 3.553421 7.925214 
1 1 1    2    2    5 o  1180.97   13.141  9462.41  210.261  9279.91  293.499  9654.83  301.366  1169.29   18.523  1192.66   18.646 -23.37305 26.28260 
1 1 1    2    2    6 o  600.657   7.1878  2445.09   58.497  2401.62   81.818  2490.54   83.668  595.198   10.144  606.115   10.186 -10.91687 14.37566 
1 1 1    2    2    7 o  941.233   10.634  6008.96  135.627  5942.03  190.369  6077.96  193.276  935.912   15.010  946.553   15.068 -10.64050 21.26821 
1 1 1    2    2    8 o  721.113   8.3817  3523.19   81.871  3426.06  113.773  3627.50  117.905  710.815   11.811  731.410   11.896 -20.59491 16.76344 
1 1 1    2    2    9 o  329.729   9.4243  737.025   42.110  737.025   42.110   0.0000   0.0000  329.729   9.4243  ?   ?       ?      ? 
1 1 1    2    2   10 o  530.114   7.9868  1917.34   54.332  1868.44   92.650  1942.97   67.075  524.865   13.026  535.363   9.2455 -10.49792 15.97366 
1 1 1    2    2   11 f  268.849   4.2666  489.832   15.544  496.816   22.056  482.941   21.909  270.753   6.0112  266.945   6.0565 3.808014 8.533187 
1 1 1    2    2   12 o  680.464   7.9796  3139.38   73.574  3099.52  103.188  3180.60  104.934  676.073   11.263  684.856   11.307 -8.783508 15.95915 
1 1 1    2    2   13 o  1401.31   15.495 13345.32  294.193 13128.71  411.393 13572.03  420.872  1389.69   21.845  1412.93   21.981 -23.23938 30.98982 
1 1 1    2    2   14 o  1017.85   11.447  7033.19  157.889  6995.29  222.430  7071.67  224.158  1015.09   16.170  1020.61   16.207 -5.521667 22.89421 
1 1 1    2    2   15 o  569.595   6.9033  2199.99   53.285  2195.37   75.217  2204.64   75.496  568.995   9.7550  570.195   9.7705 -1.199829 13.80661 
1 1 1    2    2   16 o  1006.85   11.338  6884.66  154.691  6873.29  218.415  6896.10  219.120  1006.02   16.021  1007.68   16.046 -1.663574 22.67522 
1 1 1    2    2   17 o  469.281   8.4353  1493.26   53.644  1493.26   53.644   0.0000   0.0000  469.281   8.4353  ?   ?       ?      ? 
1 1 1    2    2   18 o  775.663   10.981  4081.42  108.638  4068.43  132.741  4107.77  189.059  774.162   12.653  777.164   17.952 -3.001465 21.96262 
1 1 1    2    2   19 o  353.219   4.9742  845.902   23.809  845.559   33.652  846.246   33.691  353.147   7.0319  353.291   7.0372 -0.1433105 9.948326 
1 1 1    2    2   20 o  651.302   7.7303  2879.02   68.227  2897.50   96.753  2860.74   96.223  653.382   10.927  649.223   10.937 4.159485 15.46051 
1 1 1    2    2   21 o  883.177   10.070  5301.12  120.522  5338.14  171.169  5264.73  169.727  886.232   14.253  880.121   14.231 6.110535 20.14077 
1 1 1    2    2   22 o  259.499   4.2819  456.520   15.057  453.954   21.207  459.128   21.382  258.764   6.0477  260.234   6.0633 -1.470276 8.563781 
1 1 1    2    2   23 o  504.445   7.7244  1713.91   49.571  1766.49   87.210  1688.81   60.251  509.958   12.620  498.933   8.9113 11.02451 15.44889 
1 1 1    2    2   24 o  402.772   6.6227  1099.92   34.086  1102.88   59.049  1098.44   41.743  403.089   10.810  402.455   7.6539 0.6335754 13.24545 
1 1 1    2    2   25 o  374.614   6.3226  945.326   30.187  932.734   36.766  971.379   52.882  370.883   7.3153  378.346   10.314 -7.462708 12.64511 
1 1 1    2    2   26 f  725.580   12.008  3573.78  117.955  3424.23  162.502  3740.32  171.488  709.580   16.899  741.581   17.064 -32.00079 24.01643 
1 1 1    2    2   27 o  391.359   6.5340  1039.14   32.704  1037.82   56.507  1039.81   40.103  391.107   10.662  391.611   7.5568 -0.5044250 13.06805 
1 1 1    2    2   28 o  1135.94   12.714  8772.62  195.714  8757.57  276.401  8787.74  277.163  1134.97   17.971  1136.92   17.990 -1.949829 25.42808 
1 1 1    2    2   29 o  417.760   6.8181  1180.58   36.398  1192.48   63.170  1174.67   44.534  419.271   11.118  416.248   7.8951 3.023224 13.63618 
1 1 1    2    2   30 o  823.499   11.623  4634.67  122.919  4515.12  209.230  4697.67  151.895  815.015   18.944  831.983   13.472 -16.96844 23.24631 
1 1 1    2    2   31 o  1317.73   14.641 11808.31  261.433 11870.09  370.857 11747.27  368.599  1321.16   20.714  1314.31   20.695 6.848145 29.28103 
1 1 1    2    2   32 o  1066.72   11.988  7727.31  173.279  7630.22  242.944  7827.85  247.219  1059.91   16.914  1073.54   16.993 -13.62622 23.97648 
1 1 1    2    2   33 o  241.877   6.1258  396.533   20.079  396.533   20.079   0.0000   0.0000  241.877   6.1258  ?   ?       ?      ? 
1 1 1    2    2   34 o  708.480   11.785  3405.02  113.144  3405.02  113.144   0.0000   0.0000  708.480   11.785  ?   ?       ?      ? 
1 1 1    2    2   35 o  678.427   11.371  3122.12  104.543  3122.12  104.543   0.0000   0.0000  678.427   11.371  ?   ?       ?      ? 
1 1 1    2    2   36 o  792.466   11.237  4219.58  112.802  4139.68  136.427  4392.24  200.556  781.047   12.890  803.885   18.410 -22.83813 22.47395 
1 1 1    2    2   37 o  358.484   5.1408  871.174   24.973  881.657   35.409  860.800   35.225  360.630   7.2456  356.338   7.2947 4.292328 10.28157 
1 1 1    2    2   38 o  1075.51   12.100  7861.54  176.345  7845.57  248.977  7877.61  249.804  1074.42   17.100  1076.60   17.122 -2.187134 24.19904 
1 1 1    2    2   39 f  1222.42   13.655 10165.15  226.165 10023.50  316.734 10312.50  323.050  1213.75   19.257  1231.09   19.364 -17.34412 27.30920 
1 1 1    2    2   40 o  920.201   10.509  5752.63  131.048  5718.40  184.553  5787.43  186.116  917.443   14.844  922.958   14.881 -5.514832 21.01868 
1 1 1    2    2   41 f  336.976   6.1414  757.649   26.266  805.596   46.759  735.544   31.749  344.584   10.014  329.369   7.1132 15.21451 12.28288 
1 1 1    2    2   42 o  535.686   6.7061  1946.76   48.681  1954.75   68.969  1938.83   68.722  536.781   9.4815  534.591   9.4862 2.189697 13.41218 
1 1 1    2    2   43 o  604.516   7.3801  2480.14   60.457  2469.91   85.420  2490.40   85.579  603.266   10.449  605.766   10.425 -2.499268 14.76015 
1 1 1    2    2   44 o  342.556   7.2145  796.467   33.487  810.731   47.434  782.294   47.283  345.618   10.128  339.494   10.278 6.124207 14.42907 
1 1 1    2    2   45 o  889.771   12.546  5409.19  142.806  5438.75  175.433  5351.13  245.865  894.229   14.477  885.313   20.494 8.915894 25.09126 
1 1 1    2    2   46 o  819.338   11.635  4545.75  121.266  4653.47  212.958  4494.07  147.518  825.728   19.032  812.947   13.391 12.78107 23.27034 
1 1 1    2    2   47 o  325.323   6.0866  717.800   25.350  719.802   43.750  716.788   31.104  325.577   9.9161  325.070   7.0608 0.5067139 12.17314 
1 1 1    2    2   48 o  664.230   7.9572  2998.76   71.624  2987.61  101.011  3010.04  101.574  662.990   11.243  665.471   11.263 -2.480469 15.91443 
1 1 1    2    2   49 o  647.660   7.8098  2851.09   68.537  2896.44   97.734  2807.21   96.137  652.726   11.049  642.594   11.040 10.13177 15.61951 
1 1 1    2    2   50 o  408.661   5.6422  1133.71   31.246  1140.99   44.305  1126.50   44.072  409.967   7.9748  407.355   7.9838 2.612579 11.28444 
1 1 1    2    2   51 o  431.813   7.1100  1260.94   39.188  1247.93   47.838  1287.49   68.330  428.681   8.2348  434.946   11.593 -6.265442 14.21998 
1 1 1    2    2   52 o  468.737   8.7004  1492.76   55.265  1492.76   55.265   0.0000   0.0000  468.737   8.7004  ?   ?       ?      ? 
1 1 1    2    2   53 o  541.131   8.3979  2003.76   58.091  2021.98   71.372  1967.99   99.988  545.291   9.6587  536.971   13.741 8.319397 16.79589 
1 1 1    2    2   54 o  422.829   5.7815  1214.04   33.117  1251.57   47.488  1178.50   46.208  429.189   8.1649  416.469   8.1876 12.71948 11.56297 
1 1 1    2    2   55 o  397.418   5.5797  1073.10   30.049  1066.41   42.367  1079.89   42.626  396.170   7.8916  398.666   7.8901 -2.496307 11.15939 
1 1 1    2    2   56 o  262.463   4.6785  467.712   16.640  470.483   23.638  464.991   23.428  263.233   6.6265  261.694   6.6062 1.539490 9.356944 
1 1 1    2    2   57 o  141.677   5.6152  136.798   10.027  135.465   17.777  137.420   12.143  141.085   9.2979  142.269   6.2984 -1.183395 11.23035 
1 1 1    2    2   58 o  307.567   7.0585  642.699   29.420  642.699   29.420   0.0000   0.0000  307.567   7.0585  ?   ?       ?      ? 
1 1 1    2    2   59 o  294.858   4.8908  590.711   19.542  593.000   27.673  588.435   27.600  295.428   6.9123  294.288   6.9208 1.140045 9.781507 
1 1 1    2    2   60 f  147.786   4.5666  148.093   9.1353  158.151   13.216  138.889   12.642  152.587   6.3914  142.986   6.5243 9.601074 9.133251 
1 1 1    2    2   61 o  298.445   4.9281  605.291   19.929  614.297   28.423  596.581   27.950  300.627   6.9767  296.263   6.9619 4.364868 9.856106 
1 1 1    2    2   62 o  199.385   5.4870  265.216   13.956  285.943   24.666  255.455   16.926  204.877   8.8842  193.894   6.4419 10.98279 10.97392 
1 1 1    2    2   63 o  216.376   5.5465  317.386   15.360  322.445   26.602  314.856   18.813  217.509   9.0251  215.242   6.4499 2.266830 11.09292 
1 1 1    2    2   64 o  277.279   4.8519  522.732   18.230  531.412   25.938  514.259   25.626  279.555   6.8467  275.002   6.8765 4.553101 9.703830 
1 1 1    2    2   65 o  146.990   4.7229  146.949   9.4052  143.782   13.336  150.083   13.266  145.407   6.7682  148.573   6.5889 -3.165894 9.445722 
1 1 1    2    2   66 f  105.352   5.3600   75.588   7.6496   74.416   10.907   76.721   10.731  104.541   7.6991  106.164   7.4594 -1.622917 10.72002 
1 1 1    2    2   67 o  153.050   6.7760  159.355   14.054  159.355   14.054   0.0000   0.0000  153.050   6.7760  ?   ?       ?      ? 
1 1 1    2    2   68 o  245.501   5.9484  411.081   18.508  411.125   22.503  410.988   32.539  245.806   6.7556  245.196   9.7927 0.6099396 11.89685 
1 1 1    2    2   69 o  256.568   4.8140  447.663   16.730  464.880   24.075  431.585   23.264  261.336   6.7981  251.800   6.8180 9.535950 9.628016 
1 1 1    2    2   70 o  195.347   6.6672  259.800   17.650  259.800   17.650   0.0000   0.0000  195.347   6.6672  ?   ?       ?      ? 
1 1 1    2    2   71 o  194.737   4.7375  258.351   12.500  255.541   17.794  261.088   17.563  193.679   6.7796  195.795   6.6192 -2.115204 9.475047 
1 1 1    2    2   72 o  267.068   9.9498  489.499   36.010  489.499   36.010   0.0000   0.0000  267.068   9.9498  ?   ?       ?      ? 
1 1 1    2    2   73 o   98.800   5.7120   67.277   7.5861   59.235   10.936   74.738   10.533   92.993   8.6777  104.607   7.4301 -11.61378 11.42409 
1 1 1    2    2   74 o  122.156   5.1232  102.056   8.4734   98.521   12.086  105.474   11.883  120.047   7.4292  124.265   7.0566 -4.217697 10.24641 
1 1 1    2    2   75 o  188.120   4.7167  241.691   12.022  243.493   17.180  239.962   16.829  188.796   6.7151  187.443   6.6254 1.353546 9.433354 
1 1 1    2    2   76 o  142.338   4.9550  138.685   9.5504  137.716   13.747  139.590   13.278  141.827   7.1527  142.848   6.8591 -1.021164 9.909971 
1 1 1    2    2   77 o  201.662   5.8011  277.383   14.895  286.894   26.148  272.815   18.123  203.689   9.4729  199.635   6.6990 4.053452 11.60228 
1 1 1    2    2   78 o   94.413   5.7730   61.262   7.3641   68.255   10.699   54.966   10.152   99.564   7.9294   89.262   8.3925 10.30207 11.54598 
1 1 1    2    2   79 o  182.109   4.7553  227.680   11.724  214.980   16.485  240.679   16.677  176.916   6.8760  187.303   6.5705 -10.38608 9.510594 
1 1 1    2    2   80 o  256.731   4.9231  453.318   17.121  469.617   24.568  437.926   23.874  261.228   6.9400  252.234   6.9845 8.993195 9.846167 
1 1 1    2    2   81 o  102.344   7.9046   72.587   10.963   72.587   10.963   0.0000   0.0000  102.344   7.9046  ?   ?       ?      ? 
1 1 1    2    2   82 f   67.738   9.1548   32.158   7.6061   29.702   9.0435   38.096   14.061   64.825   10.295   70.651   15.141 -5.826042 18.30964 
1 1 1    2    2   83 o  114.669   5.2542   91.355   8.1550   90.667   11.794   91.986   11.289  114.181   7.6220  115.156   7.2340 -0.9745102 10.50833 
1 1 1    2    2   84 o  147.351   4.9063  150.764   9.7915  146.399   13.924  155.034   13.772  145.169   7.0780  149.533   6.7963 -4.363617 9.812572 
1 1 1    2    2   85 o   66.831   6.9530   31.877   6.2954   32.390   9.0250   31.390   8.7860   67.335   9.8906   66.326   9.7751 1.008621 13.90602 
1 1 1    2    2   86 o   80.635   7.4243   46.343   7.6702   49.027   13.309   45.008   9.3858   81.567   12.040   79.704   8.6898 1.862556 14.84857 
1 1 1    2    2   87 o   78.267   6.3337   43.829   6.6330   35.758   9.2731   52.284   9.4916   70.523   9.7031   86.011   8.1434 -15.48859 12.66748 
1 1 1    2    2   88 o   57.238   7.9110   24.539   5.9925   30.046   8.6262   19.403   8.3309   64.452   9.8765   50.025   12.361 14.42615 15.82194 
1 1 1    2    2   89 o   59.506   9.3767   26.469   7.1328   33.918   12.089   22.491   8.8345   65.244   14.086   53.768   12.381 11.47515 18.75336 
1 1 1    2    2   90 o  118.530   7.4927  103.241   12.017   96.061   16.596  111.156   17.425  114.082   10.735  122.977   10.456 -8.895401 14.98545 
1 1 1    2    2   91 o   67.933   10.478   34.091   9.6457   0.0000   0.0000   34.091   9.6457  ?   ?    67.933   10.478      ?      ? 
1 1 1    2    2   92 o   84.228   9.6913   64.034   9.1178   37.767   15.990   76.690   11.099   64.889   17.696  103.568   7.9081 -38.67894 19.38262 
1 1 1    2    2   93 o   39.104   15.750   10.284   12.824   10.284   12.824   0.0000   0.0000   39.104   15.750  ?   ?       ?      ? 
1 1 1    2    2   94 o   52.504   16.768   25.228   13.468   25.228   13.468   0.0000   0.0000   52.504   16.768  ?   ?       ?      ? 
1 1 1    2    2   95 o  104.620   12.209   86.890   17.309   86.890   17.309   0.0000   0.0000  104.620   12.209  ?   ?       ?      ? 
1 1 1    2    2   96 o   41.912   16.239   15.545   13.159   15.545   13.159   0.0000   0.0000   41.912   16.239  ?   ?       ?      ? 
1 1 1    2    3    0 o  690.421   8.0803  3231.84   75.598  3261.57  107.473  3202.73  106.358  693.564   11.435  687.279   11.420 6.284607 16.16059 
1 1 1    2    3    1 o  227.640   3.9919  351.174   12.314  352.299   17.425  350.052   17.405  228.004   5.6395  227.276   5.6512 0.7284698 7.983731 
1 1 1    2    3    2 o  843.456   9.6363  4823.72  110.125  4742.75  154.042  4908.35  157.495  836.221   13.594  850.691   13.662 -14.46948 19.27264 
1 1 1    2    3    3 o  776.792   8.9725  4091.95   94.448  4067.71  133.077  4116.56  134.066  774.474   12.680  779.109   12.698 -4.635193 17.94493 
1 1 1    2    3    4 o  427.365   6.8527  1253.13   37.693  1189.34   63.428  1287.96   46.865  418.819   11.176  435.912   7.9336 -17.09320 13.70537 
1 1 1    2    3    5 o  433.709   6.8836  1258.48   37.819  1229.28   45.691  1322.00   67.393  425.865   7.9173  441.553   11.263 -15.68802 13.76719 
1 1 1    2    3    6 o  141.089   7.0865  134.917   13.549  134.917   13.549   0.0000   0.0000  141.089   7.0865  ?   ?       ?      ? 
1 1 1    2    3    7 o  502.896   6.2749  1714.30   42.762  1731.00   60.759  1697.91   60.193  505.323   8.8727  500.469   8.8754 4.853638 12.54982 
1 1 1    2    3    8 o  206.198   3.8873  288.106   10.861  283.046   15.274  293.281   15.447  204.367   5.5153  208.029   5.4795 -3.662445 7.774505 
1 1 1    2    3    9 o  257.511   4.2224  449.321   14.733  441.107   20.674  457.798   21.001  255.120   5.9799  259.902   5.9628 -4.781937 8.444773 
1 1 1    2    3   10 o  669.531   7.8854  3037.97   71.521  3120.74  102.759  2960.20   99.606  678.370   11.178  660.693   11.125 17.67706 15.77086 
1 1 1    2    3   11 o  1260.43   14.000 10794.54  239.116 10872.58  339.780 10717.96  336.564  1264.93   19.822  1255.92   19.775 9.018066 27.99961 
1 1 1    2    3   12 f  269.444   6.1251  492.059   22.365   0.0000   0.0000  492.059   22.365  ?   ?   269.444   6.1251      ?      ? 
1 1 1    2    3   13 o  1768.46   19.520 21301.04  467.471 20647.75  646.376 22017.47  676.886  1740.14   27.411  1796.77   27.800 -56.62964 39.04051 
1 1 1    2    3   14 o  636.463   9.2759  2751.89   75.432  2757.45   92.445  2740.80  130.483  637.597   10.699  635.329   15.156 2.267883 18.55171 
1 1 1    2    3   15 o  701.365   10.055  3311.58   89.471  3260.28  108.448  3420.93  158.326  693.184   11.545  709.547   16.466 -16.36249 20.11006 
1 1 1    2    3   16 o  421.928   6.8470  1224.41   37.133  1263.32   46.156  1153.02   62.519  431.641   7.8909  412.216   11.192 19.42480 13.69392 
1 1 1    2    3   17 o  252.974   5.1373  428.514   16.549  418.544   20.090  449.554   29.185  248.482   5.9664  257.466   8.3649 -8.983597 10.27467 
1 1 1    2    3   18 o  385.664   5.2474  1008.47   27.423  999.414   38.536  1017.77   39.031  383.910   7.4072  387.418   7.4345 -3.507782 10.49470 
1 1 1    2    3   19 o  532.797   6.5793  1925.19   47.494  1887.89   66.365  1964.35   67.996  527.511   9.2838  538.083   9.3251 -10.57233 13.15853 
1 1 1    2    3   21 o  225.622   5.0824  352.490   14.692  369.236   18.283  321.966   24.684  233.378   5.7811  217.866   8.3608 15.51283 10.16486 
1 1 1    2    3   22 o  485.314   12.294  1599.62   80.853  1599.62   80.853   0.0000   0.0000  485.314   12.294  ?   ?       ?      ? 
1 1 1    2    3   23 o  649.350   9.4464  2846.19   78.048  2917.97  137.081  2811.76   94.939  655.079   15.442  643.620   10.885 11.45941 18.89281 
1 1 1    2    3   24 o  1275.10   17.440 10995.02  281.592 11426.64  500.477 10795.09  340.623  1291.41   28.598  1258.79   19.968 32.61523 34.87957 
1 1 1    2    3   25 o  389.363   5.3283  1027.85   28.113  1043.42   39.962  1012.59   39.555  392.284   7.5174  386.442   7.5533 5.841614 10.65663 
1 1 1    2    3   26 o  827.626   9.5126  4650.50  106.688  4668.94  151.192  4632.21  150.569  829.260   13.454  825.992   13.452 3.267944 19.02526 
1 1 1    2    3   27 o  275.866   5.4475  510.069   19.190  533.389   33.630  498.809   23.368  280.461   8.8484  271.270   6.3568 9.191528 10.89509 
1 1 1    2    3   28 o  1064.57   11.970  7699.28  172.678  7743.01  245.042  7656.13  243.373  1067.58   16.938  1061.57   16.918 6.002563 23.93945 
1 1 1    2    3   29 o  647.605   10.940  2844.68   96.010  2844.68   96.010   0.0000   0.0000  647.605   10.940  ?   ?       ?      ? 
1 1 1    2    3   30 o  829.062   9.5410  4664.14  107.188  4627.11  150.777  4701.98  152.411  825.737   13.474  832.388   13.512 -6.650574 19.08201 
1 1 1    2    3   31 o  618.886   7.4443  2595.36   62.405  2679.84   89.878  2516.72   86.716  628.601   10.551  609.172   10.505 19.42920 14.88859 
1 1 1    2    3   32 f  421.436   7.9780  1204.06   45.563   0.0000   0.0000  1204.06   45.563  ?   ?   421.436   7.9780      ?      ? 
1 1 1    2    3   33 o  337.815   6.0894  767.429   26.150  755.867   31.756  791.783   46.090  333.930   7.0176  341.699   9.9536 -7.769073 12.17872 
1 1 1    2    3   34 o  517.701   8.0239  1838.34   53.363  1884.16   66.162  1753.05   90.266  527.133   9.2620  508.270   13.105 18.86288 16.04786 
1 1 1    2    3   35 o  448.918   7.3009  1401.27   42.384  1496.18   53.623  1243.26   69.190  469.759   8.4236  428.077   11.927 41.68149 14.60185 
1 1 1    2    3   36 o  477.884   7.4948  1527.75   45.434  1490.06   54.945  1609.25   80.792  468.779   8.6492  486.989   12.242 -18.21054 14.98950 
1 1 1    2    3   37 o  344.422   5.0550  804.190   23.593  802.075   33.230  806.339   33.502  343.967   7.1291  344.879   7.1685 -0.9119568 10.10994 
1 1 1    2    3   38 f  330.952   7.0456  742.548   31.599   0.0000   0.0000  742.548   31.599  ?   ?   330.952   7.0456      ?      ? 
1 1 1    2    3   39 o  1250.69   13.973 10639.37  236.704 10353.41  328.523 10948.08  341.345  1233.26   19.658  1268.12   19.863 -34.86121 27.94575 
1 1 1    2    3   40 o  320.103   4.9119  694.700   21.307  691.501   30.048  697.935   30.218  319.362   6.9429  320.844   6.9500 -1.482117 9.823807 
1 1 1    2    3   41 o  1031.65   14.309  7223.06  187.935  7337.48  328.859  7167.57  229.016  1036.71   23.408  1026.59   16.462 10.11853 28.61737 
1 1 1    2    3   42 o  405.740   11.161  1117.50   61.366  1117.50   61.366   0.0000   0.0000  405.740   11.161  ?   ?       ?      ? 
1 1 1    2    3   44 o  577.434   8.7090  2274.00   64.471  2238.24  110.416  2292.51   79.415  573.719   14.202  581.148   10.084 -7.428711 17.41793 
1 1 1    2    3   45 o  664.295   9.7428  3010.75   82.923  2971.57  142.281  3030.90  102.046  660.604   15.894  667.987   11.273 -7.382935 19.48563 
1 1 1    2    3   46 o  709.192   8.4057  3415.47   80.748  3523.27  116.261  3315.01  112.234  719.988   11.916  698.395   11.859 21.59283 16.81130 
1 1 1    2    3   47 o  464.537   6.1090  1464.38   38.451  1438.44   53.844  1491.37   54.930  460.342   8.6312  468.733   8.6476 -8.391083 12.21798 
1 1 1    2    3   48 o  392.452   6.7595  1056.44   34.148  1012.51   57.585  1080.27   42.410  385.941   11.010  398.963   7.8443 -13.02234 13.51895 
1 1 1    2    3   49 o  414.993   7.0346  1170.48   37.260  1170.84   45.599  1169.74   64.637  415.294   8.1025  414.693   11.502 0.6008911 14.06925 
1 1 1    2    3   50 o  639.889   9.5243  2791.47   77.746  2793.35   95.122  2787.70  134.938  640.841   10.953  638.937   15.584 1.904663 19.04869 
1 1 1    2    3   51 o  193.564   5.4279  254.054   13.354  253.428   16.266  255.349   23.391  193.267   6.2107  193.860   8.9038 -0.5929718 10.85589 
1 1 1    2    3   52 o  381.059   6.6703  1002.73   32.745  1040.34   40.876  935.362   54.705  391.403   7.7066  370.716   10.889 20.68710 13.34055 
1 1 1    2    3   53 o  284.865   5.8164  555.518   21.278  564.740   26.316  538.103   36.161  288.435   6.7328  281.295   9.4863 7.139557 11.63276 
1 1 1    2    3   54 o  247.863   4.6045  417.033   15.466  415.444   21.820  418.638   21.924  247.388   6.5086  248.337   6.5148 -0.9486389 9.208972 
1 1 1    2    3   55 o  257.499   6.5944  450.178   23.011  450.178   23.011   0.0000   0.0000  257.499   6.5944  ?   ?       ?      ? 
1 1 1    2    3   56 o  518.359   6.6313  1828.30   46.578  1804.96   65.382  1852.35   66.371  515.004   9.3683  521.715   9.3877 -6.711731 13.26254 
1 1 1    2    3   57 f  207.191   4.5231  291.144   12.691  306.201   18.287  277.156   17.626  212.355   6.3548  202.026   6.4382 10.32820 9.046263 
1 1 1    2    3   58 o  435.634   7.2882  1290.64   40.512  1302.35   70.463  1284.85   49.513  436.672   11.908  434.596   8.4072 2.076813 14.57640 
1 1 1    2    3   59 o   97.051   5.1473   64.000   6.7669   64.760   9.7303   63.289   9.4171   97.605   7.3564   96.497   7.2014 1.108215 10.29456 
1 1 1    2    3   60 o   88.860   5.4430   53.508   6.5291   60.555   9.5238   47.259   8.9684   94.371   7.4471   83.349   7.9402 11.02193 10.88607 
1 1 1    2    3   61 o  184.037   5.5128  230.972   12.929  228.804   22.445  232.048   15.816  183.261   9.0378  184.813   6.3152 -1.552322 11.02558 
1 1 1    2    3   62 o  370.318   5.4376  932.977   27.286  943.491   38.806  922.695   38.375  372.381   7.6900  368.255   7.6898 4.126770 10.87520 
1 1 1    2    3   63 o  228.569   4.6471  355.131   14.394  352.971   20.381  357.281   20.330  227.872   6.6002  229.266   6.5437 -1.393509 9.294178 
1 1 1    2    3   64 o  280.522   4.8818  535.143   18.557  540.126   26.364  530.250   26.126  281.816   6.9034  279.228   6.9044 2.588318 9.763572 
1 1 1    2    3   65 o  230.967   4.7403  362.784   14.836  357.240   20.945  368.367   21.017  229.191   6.7438  232.743   6.6635 -3.552200 9.480513 
1 1 1    2    3   66 o  162.812   5.9226  182.519   12.239  186.080   14.977  175.362   21.236  165.404   6.6818  160.221   9.7807 5.182343 11.84519 
1 1 1    2    3   67 o  306.582   5.0792  638.438   21.075  684.083   30.561  597.046   29.102  317.021   7.1138  296.142   7.2518 20.87970 10.15843 
1 1 1    2    3   68 o  166.540   5.5549  183.626   12.056  170.584   14.887  208.472   20.548  158.303   6.9397  174.776   8.6757 -16.47305 11.10979 
1 1 1    2    3   69 o   94.820   5.6508   61.442   7.2434   59.129   10.489   63.551   10.015   93.084   8.3149   96.555   7.6542 -3.470352 11.30154 
1 1 1    2    3   70 o  182.503   4.7360  226.565   11.706  234.780   16.904  218.995   16.227  185.676   6.7182  179.331   6.6771 6.344940 9.471999 
1 1 1    2    3   71 o  155.454   4.8500  164.822   10.208  157.495   14.487  172.047   14.385  151.997   7.0331  158.911   6.6801 -6.914063 9.699923 
1 1 1    2    3   72 o  196.025   4.7511  261.828   12.617  269.319   18.087  254.728   17.610  198.755   6.7153  193.295   6.7228 5.460220 9.502176 
1 1 1    2    3   73 f  199.452   5.8180  272.361   14.716  272.269   25.828  272.405   17.908  199.064   9.5745  199.839   6.6126 -0.7751312 11.63604 
1 1 1    2    3   74 o  201.163   4.7485  276.456   12.927  259.095   18.217  294.067   18.348  194.754   6.9027  207.572   6.5227 -12.81789 9.496998 
1 1 1    2    3   75 o   91.250   7.4873   60.870   8.3395   49.563   14.724   66.210   10.119   84.191   12.905   98.309   7.5957 -14.11781 14.97456 
1 1 1    2    3   76 o   62.567   9.2253   28.117   7.1237   27.647   12.986   28.319   8.5201   61.146   15.617   63.987   9.8258 -2.841099 18.45055 
1 1 1    2    3   77 o  170.012   4.7929  198.148   11.035  191.888   15.708  204.249   15.506  167.317   6.9278  172.707   6.6254 -5.389648 9.585891 
1 1 1    2    3   78 f  242.316   4.8833  403.051   16.030  390.602   22.626  415.597   22.715  238.516   7.0000  246.116   6.8107 -7.599411 9.766556 
1 1 1    2    3   79 o  106.469   5.4258   77.999   7.8168   84.057   11.347   72.528   10.783  110.415   7.5838  102.522   7.7615 7.893059 10.85151 
1 1 1    2    3   80 o  186.438   5.9553  241.646   14.146  242.489   17.317  239.956   24.525  187.694   6.8083  185.183   9.7729 2.510696 11.91058 
1 1 1    2    3   81 o   71.464   6.8104   35.925   6.4978   43.932   9.3724   28.514   9.0163   79.376   8.7132   63.552   10.469 15.82468 13.62088 
1 1 1    2    3   82 o  168.330   5.8216  199.993   12.644  206.194   15.808  188.982   21.067  172.772   6.7517  163.887   9.4856 8.885162 11.64315 
1 1 1    2    3   83 o   68.572   6.8212   33.254   6.3366   33.847   9.1002   32.696   8.8285   69.146   9.7118   67.998   9.5809 1.147606 13.64235 
1 1 1    2    3   84 o   38.462   8.7949   10.604   5.4390   6.4293   7.9480   14.281   7.4590   33.387   12.700   43.537   12.170 -10.15057 17.58977 
1 1 1    2    3   85 o   70.477   6.5897   35.577   6.2365   30.810   8.9190   40.137   8.7238   65.555   10.040   75.398   8.5381 -9.842667 13.17946 
1 1 1    2    3   86 o   34.049   9.5057   4.8573   6.0941   10.870   11.030   2.2153   7.3114   40.158   15.031   27.940   11.641 12.21776 19.01133 
1 1 1    2    3   87 o   56.429   10.575   25.176   8.2068   30.613   12.492   21.047   10.886   61.633   15.080   51.225   14.831 10.40826 21.15051 
1 1 1    2    3   88 o   44.901   12.770   15.724   8.1390   0.0000   0.0000   15.724   8.1390  ?   ?    44.901   12.770      ?      ? 
1 1 1    2    3   89 o   82.711   8.9225   58.445   8.4529   34.898   14.020   71.895   10.595   64.666   16.069  100.757   7.7599 -36.09184 17.84493 
1 1 1    2    3   90 o   66.295   9.2830   37.435   7.7682   23.907   12.681   45.561   9.8282   53.170   16.165   79.420   9.1319 -26.25001 18.56598 
1 1 1    2    3   91 o   77.225   8.9607   48.003   8.4522   40.305   14.132   52.290   10.546   69.562   15.399   84.888   9.1678 -15.32574 17.92135 
1 1 1    2    3   92 o   89.608   9.2528   62.887   11.235   63.200   15.818   62.569   15.959   89.930   12.980   89.287   13.190 0.6436844 18.50550 
1 1 1    2    3   93 o   70.724   11.091   43.152   10.437   33.657   14.486   53.401   15.051   61.046   16.923   80.402   14.339 -19.35565 22.18134 
1 1 1    2    3   94 o   28.364   13.124  -4.4965   11.913  -4.4965   11.913   0.0000   0.0000   28.364   13.124  ?   ?       ?      ? 
1 1 1    2    3   95 o   59.950   16.806   33.911   14.203   33.911   14.203   0.0000   0.0000   59.950   16.806  ?   ?       ?      ? 
1 1 1    2    3   96 o   40.166   16.009   13.774   13.104   13.774   13.104   0.0000   0.0000   40.166   16.009  ?   ?       ?      ? 
1 1 1    2    3   97 o   32.321   14.302   4.0403   12.370   4.0403   12.370   0.0000   0.0000   32.321   14.302  ?   ?       ?      ? 
1 1 1    2    4    0 o  897.977   10.208  5469.93  124.206  5395.15  174.016  5547.60  177.341  891.724   14.400  904.230   14.473 -12.50549 20.41637 
1 1 1    2    4    1 o  978.908   11.043  6500.79  146.465  6380.15  204.570  6627.66  209.795  969.599   15.569  988.217   15.666 -18.61798 22.08680 
1 1 1    2    4    2 o  438.814   5.7045  1304.62   33.914  1339.76   48.591  1271.24   47.354  444.573   8.0655  433.056   8.0693 11.51761 11.40903 
1 1 1    2    4    3 o  419.879   5.5318  1194.85   31.473  1214.44   44.816  1175.79   44.209  423.274   7.8133  416.484   7.8330 6.789703 11.06359 
1 1 1    2    4    4 o  509.708   6.3502  1761.32   43.862  1759.20   61.951  1763.46   62.111  509.400   8.9745  510.017   8.9867 -0.6171570 12.70048 
1 1 1    2    4    5 o  558.237   6.8111  2112.56   51.521  2085.27   72.293  2140.72   73.444  554.575   9.6195  561.900   9.6452 -7.325073 13.62221 
1 1 1    2    4    6 o  389.024   6.0836  1019.92   27.631  1014.09   31.781  1037.97   55.928  386.815   6.0629  391.233   10.549 -4.418152 12.16718 
1 1 1    2    4    7 f  829.854   11.008  4703.70  107.637  4733.69  124.756  4616.35  212.899  835.448   11.019  824.259   19.060 11.18982 22.01634 
1 1 1    2    4    8 o  224.495   4.0538  341.520   12.328  354.005   17.551  329.361   17.321  228.545   5.6671  220.445   5.7980 8.099991 8.107569 
1 1 1    2    4    9 f  580.745   8.6118  2292.65   63.970  2301.94   78.523  2274.30  110.308  582.622   9.9455  578.869   14.062 3.752686 17.22353 
1 1 1    2    4   10 o  476.564   7.3864  1520.83   44.649  1486.17   54.013  1595.61   79.340  468.180   8.5134  484.948   12.073 -16.76804 14.77273 
1 1 1    2    4   11 o  442.764   7.0442  1331.82   39.863  1336.24   48.884  1323.04   68.872  443.938   8.1257  441.591   11.509 2.346619 14.08849 
1 1 1    2    4   12 o  695.596   8.1668  3280.46   76.949  3382.37  110.826  3185.60  106.924  706.015   11.584  685.178   11.516 20.83777 16.33369 
1 1 1    2    4   13 f  364.054   5.0750  898.531   25.037  892.976   35.245  904.190   35.572  362.919   7.1664  365.190   7.1879 -2.270996 10.15008 
1 1 1    2    4   14 o  276.859   5.4027  518.302   19.079  515.480   23.299  524.048   33.242  275.753   6.2349  277.965   8.8251 -2.211945 10.80540 
1 1 1    2    4   15 o  238.608   5.1566  392.316   15.723  405.823   19.440  366.766   26.737  244.674   5.8632  232.542   8.4845 12.13223 10.31326 
1 1 1    2    4   16 o  553.376   8.3144  2067.66   58.562  2046.10   71.285  2112.42  102.708  549.152   9.5791  557.599   13.592 -8.447266 16.62872 
1 1 1    2    4   17 o  701.417   11.663  3345.26  110.814  3261.86  154.179  3434.39  159.382  692.390   16.432  710.444   16.555 -18.05347 23.32540 
1 1 1    2    4   18 o  481.054   8.6699  1569.84   56.519   0.0000   0.0000  1569.84   56.519  ?   ?   481.054   8.6699      ?      ? 
1 1 1    2    4   19 o  660.823   7.8379  2964.29   70.185  2935.89   98.614  2993.45   99.912  657.618   11.066  664.029   11.103 -6.410278 15.67586 
1 1 1    2    4   20 o  421.935   5.6002  1207.44   32.020  1209.36   45.211  1205.50   45.356  422.273   7.9008  421.596   7.9389 0.6763000 11.20035 
1 1 1    2    4   21 o  281.661   4.4901  537.735   17.136  530.607   24.000  545.148   24.475  279.758   6.3305  283.564   6.3693 -3.806213 8.980193 
1 1 1    2    4   22 o  801.100   9.2473  4358.44  100.389  4372.25  142.159  4344.69  141.785  802.366   13.074  799.833   13.081 2.533020 18.49469 
1 1 1    2    4   23 o  322.308   5.8756  709.489   24.314  688.657   41.374  720.480   30.051  318.623   9.5822  325.994   6.8026 -7.371033 11.75129 
1 1 1    2    4   24 o  369.196   6.3074  900.482   29.419  989.910   53.222  861.138   35.302  381.999   10.281  356.393   7.3095 25.60599 12.61483 
1 1 1    2    4   25 o  615.510   9.0585  2560.31   71.063  2603.60  124.168  2539.22   86.659  619.190   14.798  611.830   10.452 7.360046 18.11702 
1 1 1    2    4   26 f  706.872   8.3120  3389.89   79.619  3372.01  112.120  3408.07  113.083  704.994   11.736  708.750   11.774 -3.756531 16.62394 
1 1 1    2    4   27 o  520.998   9.2308  1840.58   65.172  1840.58   65.172   0.0000   0.0000  520.998   9.2308  ?   ?       ?      ? 
1 1 1    2    4   28 o  382.002   5.3041  989.161   27.456  1002.02   38.991  976.511   38.669  384.465   7.4837  379.539   7.5184 4.926147 10.60818 
1 1 1    2    4   29 o  647.169   7.7314  2840.29   67.799  2877.58   96.585  2804.07   95.196  651.355   10.942  642.983   10.925 8.371826 15.46276 
1 1 1    2    4   30 o  1192.53   13.319  9664.60  215.240  9670.19  304.452  9659.02  304.338  1192.88   18.834  1192.19   18.838 0.6901855 26.63787 
1 1 1    2    4   31 o  990.054   13.753  6690.60  174.454  6749.49  214.794  6576.44  299.035  997.004   15.898  983.103   22.446 13.90131 27.50586 
1 1 1    2    4   32 o  369.899   5.2380  927.021   26.248  907.138   36.578  948.131   37.689  365.812   7.3786  373.985   7.4366 -8.172699 10.47606 
1 1 1    2    4   33 o  476.657   6.1474  1540.11   39.703  1518.13   55.596  1562.99   56.717  473.187   8.6702  480.126   8.7172 -6.938873 12.29482 
1 1 1    2    4   34 o  1140.95   12.800  8838.16  197.785  8581.43  274.011  9117.43  285.782  1123.69   17.994  1158.21   18.208 -34.51978 25.59955 
1 1 1    2    4   35 f  1221.98   16.724 10118.73  259.869 10015.24  316.107 10334.48  456.428  1213.54   19.222  1230.41   27.374 -16.86902 33.44872 
1 1 1    2    4   36 o  511.499   7.8798  1753.78   51.141  1715.82   61.905  1835.36   90.759  503.001   9.0819  519.997   12.880 -16.99576 15.75965 
1 1 1    2    4   37 o  569.004   7.0142  2195.07   54.070  2147.26   75.395  2245.71   77.585  562.629   9.8886  575.379   9.9504 -12.75018 14.02839 
1 1 1    2    4   39 o  1069.92   12.061  7785.60  174.862  7712.12  245.648  7861.09  248.969  1064.81   17.024  1075.03   17.090 -10.21924 24.12222 
1 1 1    2    4   40 o  265.758   4.5999  478.442   16.558  459.416   23.073  498.649   23.778  260.314   6.5406  271.203   6.4698 -10.88913 9.199865 
1 1 1    2    4   41 o  713.924   10.327  3452.19   93.973  3500.93  164.035  3428.38  114.651  717.279   16.876  710.569   11.907 6.710388 20.65342 
1 1 1    2    4   43 o  335.706   10.053  765.000   45.733  765.000   45.733   0.0000   0.0000  335.706   10.053  ?   ?       ?      ? 
1 1 1    2    4   44 o  488.829   6.3202  1621.37   41.863  1598.94   58.744  1644.51   59.673  485.395   8.9307  492.263   8.9454 -6.867981 12.64030 
1 1 1    2    4   45 o  353.500   5.1872  847.664   24.848  857.957   35.270  837.521   35.012  355.632   7.3185  351.369   7.3531 4.262787 10.37439 
1 1 1    2    4   46 o  536.963   6.7517  1956.97   49.116  1913.03   68.525  2003.40   70.436  530.769   9.5271  543.156   9.5695 -12.38702 13.50333 
1 1 1    2    4   47 o  502.532   6.4489  1714.55   43.912  1747.83   62.628  1682.35   61.587  507.330   9.1095  497.734   9.1308 9.596466 12.89786 
1 1 1    2    4   48 o  128.541   5.7664  113.870   9.2679  116.723   11.210  107.707   16.475  131.174   6.3061  125.908   9.6560 5.266640 11.53283 
1 1 1    2    4   49 o  331.804   6.2478  747.020   26.337  745.503   32.069  750.165   46.160  331.431   7.1402  332.177   10.255 -0.7461243 12.49551 
1 1 1    2    4   50 o  274.042   4.7101  509.603   17.490  520.042   24.835  499.330   24.635  276.828   6.6202  271.255   6.7018 5.573822 9.420232 
1 1 1    2    4   51 o  238.131   4.5397  384.760   14.647  394.527   20.847  375.237   20.584  241.117   6.3802  235.144   6.4598 5.973068 9.079420 
1 1 1    2    4   52 o  195.512   5.3507  254.252   13.489  276.758   23.367  243.003   16.520  201.805   8.5447  189.219   6.4426 12.58592 10.70131 
1 1 1    2    4   53 o  159.578   8.6474  173.104   18.700  173.104   18.700   0.0000   0.0000  159.578   8.6474  ?   ?       ?      ? 
1 1 1    2    4   54 o  151.637   5.6726  159.889   10.831  166.675   13.242  146.174   18.825  156.700   6.2360  146.573   9.4776 10.12624 11.34516 
1 1 1    2    4   55 o  280.625   4.7968  533.470   18.212  578.151   26.441  493.142   25.120  291.786   6.6870  269.464   6.8792 22.32150 9.593697 
1 1 1    2    4   56 o  181.463   4.5061  222.872   11.037  252.624   16.073  196.328   15.182  192.898   6.1486  170.027   6.5890 22.87115 9.012223 
1 1 1    2    4   57 o  595.825   7.3733  2420.07   59.534  2422.06   84.186  2418.08   84.201  596.072   10.422  595.578   10.433 0.4935303 14.74657 
1 1 1    2    4   58 o  163.676   5.7821  185.806   11.909  172.398   20.808  192.337   14.523  159.071   9.6528  168.280   6.3684 -9.209198 11.56430 
1 1 1    2    4   59 o  225.040   6.4815  344.046   19.766   0.0000   0.0000  344.046   19.766  ?   ?   225.040   6.4815      ?      ? 
1 1 1    2    4   60 o  398.982   5.6574  1082.99   30.585  1099.20   43.594  1067.27   42.922  401.921   8.0040  396.042   7.9975 5.878448 11.31475 
1 1 1    2    4   61 o  206.241   6.4978  289.056   18.160  289.056   18.160   0.0000   0.0000  206.241   6.4978  ?   ?       ?      ? 
1 1 1    2    4   62 o  258.405   4.7767  453.950   16.727  455.139   23.689  452.767   23.622  258.742   6.7560  258.068   6.7545 0.6748962 9.553344 
1 1 1    2    4   63 o  263.082   4.8304  470.645   17.221  467.966   24.318  473.339   24.390  262.330   6.8408  263.834   6.8218 -1.504517 9.660865 
1 1 1    2    4   64 o  619.080   9.4859  2655.11   75.145  2699.07   92.654  2570.64  128.451  628.143   10.885  610.018   15.539 18.12500 18.97178 
1 1 1    2    4   65 o  330.413   10.651  746.828   47.692   0.0000   0.0000  746.828   47.692  ?   ?   330.413   10.651      ?      ? 
1 1 1    2    4   66 o   74.601   6.6231   37.984   6.6923   39.676   9.5698   36.366   9.3624   76.231   9.2638   72.970   9.4680 3.261604 13.24617 
1 1 1    2    4   67 o  245.056   4.7926  408.662   15.915  410.133   22.520  407.195   22.496  245.498   6.7691  244.614   6.7864 0.8837128 9.585163 
1 1 1    2    4   68 o  247.686   5.7655  412.524   18.386  399.976   22.546  437.432   31.765  242.385   6.8640  252.987   9.2656 -10.60165 11.53106 
1 1 1    2    4   69 o  127.903   5.8655  106.771   9.8368   93.658   12.184  131.314   16.669  117.192   7.6723  138.615   8.8741 -21.42325 11.73091 
1 1 1    2    4   70 o  167.255   4.7685  190.107   10.786  208.061   15.650  173.861   14.886  174.777   6.6075  159.733   6.8770 15.04333 9.536923 
1 1 1    2    4   71 o  113.046   5.3254   87.145   8.1375   96.005   11.719   78.893   11.309  118.616   7.2903  107.476   7.7646 11.14060 10.65071 
1 1 1    2    4   72 o  168.781   4.7561  194.204   10.875  200.436   15.582  188.286   15.185  171.423   6.7077  166.140   6.7445 5.282623 9.512136 
1 1 1    2    4   73 o  233.427   6.0474  381.082   17.877  351.961   30.784  395.901   21.960  226.033   10.050  240.822   6.7291 -14.78897 12.09478 
1 1 1    2    4   74 o  159.050   6.7968  172.869   14.650   0.0000   0.0000  172.869   14.650  ?   ?   159.050   6.7968      ?      ? 
1 1 1    2    4   75 o  175.601   4.7879  210.925   11.386  201.357   16.019  220.696   16.188  171.546   6.8907  179.655   6.6493 -8.109070 9.575790 
1 1 1    2    4   76 o  121.034   5.2066  100.418   8.4976  114.388   12.262   87.511   11.786  129.197   7.0038  112.870   7.7059 16.32723 10.41319 
1 1 1    2    4   77 f   41.848   9.2226   12.300   5.8327   14.497   8.3750   10.231   8.1280   44.758   13.023   38.938   13.063 5.820301 18.44518 
1 1 1    2    4   78 o  165.952   5.9843  189.952   12.602  188.901   15.330  192.141   22.131  165.844   6.8213  166.061   9.8346 -0.2162170 11.96866 
1 1 1    2    4   79 o  152.771   6.1069  162.196   11.758  162.544   14.247  161.452   20.820  153.709   6.8399  151.833   10.119 1.876373 12.21372 
1 1 1    2    4   80 o   53.325   8.3565   20.975   5.8817   19.949   8.3228   21.999   8.3133   51.930   12.058   54.720   11.572 -2.790501 16.71300 
1 1 1    2    4   81 o   90.168   5.7737   56.616   7.0491   53.956   9.9564   59.290   9.9817   87.988   8.3501   92.348   7.9761 -4.359619 11.54745 
1 1 1    2    4   82 o   53.928   8.4651   21.691   6.0267   20.367   8.4220   23.081   8.6279   52.151   12.144   55.705   11.797 -3.553822 16.93012 
1 1 1    2    4   83 o   30.934   8.7966   1.2494   5.8936  -4.2522   7.5421   9.8775   9.4451   23.293   10.655   38.575   14.000 -15.28219 17.59329 
1 1 1    2    4   84 o   79.256   7.3839   45.917   7.6782   48.989   9.9427   41.378   12.085   83.250   8.8133   75.262   11.850 7.988091 14.76772 
1 1 1    2    4   85 o   62.649   8.4256   26.219   6.7290   41.971   11.908   18.829   8.1561   75.682   11.611   49.615   12.213 26.06678 16.85120 
1 1 1    2    4   86 o   64.151   9.0540   32.646   7.2126   27.348   12.474   35.307   8.8401   58.056   15.545   70.247   9.2864 -12.19073 18.10794 
1 1 1    2    4   87 o   62.766   10.147   28.592   8.6303   0.0000   0.0000   28.592   8.6303  ?   ?    62.766   10.147      ?      ? 
1 1 1    2    4   88 o   70.390   9.2481   40.920   7.8674   30.761   13.592   46.039   9.6478   60.634   16.224   80.146   8.8831 -19.51263 18.49629 
1 1 1    2    4   89 o   34.874   9.3697   2.3561   6.4733   17.744   11.333  -5.0962   7.8865   46.752   15.416   22.996   10.654 23.75636 18.73935 
1 1 1    2    4   90 o   76.427   9.9031   46.913   9.8902   56.313   13.880   37.219   14.096   86.320   11.866   66.535   15.859 19.78452 19.80628 
1 1 1    2    4   91 o   80.309   9.6911   51.245   10.323   50.452   14.240   52.124   14.985   80.473   13.058   80.145   14.323 0.3273392 19.38230 
1 1 1    2    4   92 o   77.804   10.180   49.351   10.503   45.109   14.466   54.080   15.273   73.311   15.065   82.298   13.695 -8.987030 20.35919 
1 1 1    2    4   93 o   47.054   11.491   19.041   9.2741   11.886   12.964   26.542   13.273   40.051   15.936   54.057   16.559 -14.00552 22.98147 
1 1 1    2    4   94 o   32.102   10.045   1.0993   8.8119  -4.4736   12.441   6.7089   12.482   28.809   13.359   35.394   15.006 -6.585138 20.09075 
1 1 1    2    4   95 o   46.915   16.754   21.057   13.463   21.057   13.463   0.0000   0.0000   46.915   16.754  ?   ?       ?      ? 
1 1 1    2    4   96 o   70.312   16.366   46.957   15.302   46.957   15.302   0.0000   0.0000   70.312   16.366  ?   ?       ?      ? 
1 1 1    2    4   97 o   40.453   16.237   15.652   13.579   15.652   13.579   0.0000   0.0000   40.453   16.237  ?   ?       ?      ? 
1 1 1    2    5    0 o  503.296   7.7581  1725.78   49.992  1695.37   85.821  1741.40   61.505  499.828   12.670  506.764   8.9562 -6.936127 15.51615 
1 1 1    2    5    1 f  673.538   9.7684  3099.11   84.438  3017.86  143.914  3141.77  104.272  666.557   15.932  680.520   11.307 -13.96320 19.53685 
1 1 1    2    5    2 o  837.779   13.610  4772.42  154.506  4828.62  220.261  4717.97  216.789  842.628   19.289  832.931   19.206 9.696777 27.22072 
1 1 1    2    5    3 o  585.414   10.032  2326.76   79.586  2338.96  112.979  2314.74  112.130  586.936   14.204  583.892   14.171 3.044739 20.06461 
1 1 1    2    5    4 o  941.348   15.129  6031.06  192.963  6139.31  276.117  5927.71  269.776  949.589   21.457  933.107   21.335 16.48254 30.25869 
1 1 1    2    5    5 o  608.530   10.352  2513.28   85.334  2581.46  122.658  2449.33  118.796  616.519   14.681  600.542   14.597 15.97705 20.70337 
1 1 1    2    5    6 o  414.712   6.7920  1176.92   36.155  1133.73   61.429  1199.81   44.721  408.766   11.090  420.657   7.8452 -11.89090 13.58405 
1 1 1    2    5    7 o  621.472   9.1584  2650.06   73.180  2713.59   90.800  2532.32  123.619  632.418   10.595  610.526   14.942 21.89191 18.31680 
1 1 1    2    5    8 o  290.803   9.1022  573.585   35.870   0.0000   0.0000  573.585   35.870  ?   ?   290.803   9.1022      ?      ? 
1 1 1    2    5    9 o  426.394   6.9288  1246.31   37.891  1274.56   46.869  1193.00   64.376  433.533   7.9778  419.255   11.331 14.27820 13.85767 
1 1 1    2    5   10 o  234.290   5.0457  362.784   15.009  346.490   18.087  398.814   26.895  226.081   5.9036  242.499   8.1844 -16.41708 10.09141 
1 1 1    2    5   11 o  537.519   8.1664  1974.58   56.248  2002.66   69.357  1920.61   96.140  543.313   9.4201  531.725   13.342 11.58795 16.33272 
1 1 1    2    5   12 o  257.141   6.0957  448.510   21.241  447.544   29.904  449.493   30.175  256.863   8.5911  257.419   8.6501 -0.5565491 12.19146 
1 1 1    2    5   13 f  309.735   5.6967  639.231   22.475  683.924   39.785  618.284   27.237  317.497   9.2470  301.973   6.6559 15.52390 11.39333 
1 1 1    2    5   14 f  439.038   5.7498  1306.09   34.192  1261.72   47.475  1353.90   49.285  431.300   8.1227  446.776   8.1403 -15.47568 11.49969 
1 1 1    2    5   15 o  476.801   6.0862  1542.13   39.324  1533.70   55.396  1550.69   55.831  475.489   8.5971  478.113   8.6171 -2.624725 12.17232 
1 1 1    2    5   16 o  583.092   7.0872  2306.82   55.994  2273.74   78.468  2341.14   79.928  578.835   10.004  587.348   10.042 -8.513611 14.17436 
1 1 1    2    5   17 o  395.579   5.3815  1061.06   28.846  1048.05   40.497  1074.45   41.099  393.120   7.6017  398.038   7.6194 -4.918030 10.76301 
1 1 1    2    5   18 o  232.383   4.2076  365.937   13.247  357.263   18.522  375.021   18.955  229.565   5.9538  235.202   5.9470 -5.636246 8.415161 
1 1 1    2    5   19 o  669.649   7.9363  3043.56   72.018  3035.38  101.592  3051.83  102.107  668.745   11.210  670.552   11.237 -1.807007 15.87250 
1 1 1    2    5   20 o  519.804   6.5022  1832.42   45.798  1858.58   65.260  1807.02   64.288  523.459   9.1998  516.148   9.1912 7.311646 13.00444 
1 1 1    2    5   21 o  309.554   6.6881  649.606   28.056   0.0000   0.0000  649.606   28.056  ?   ?   309.554   6.6881      ?      ? 
1 1 1    2    5   22 o  244.303   5.3112  410.391   16.638  386.457   28.153  423.237   20.625  238.726   8.7026  249.879   6.0909 -11.15317 10.62234 
1 1 1    2    5   23 o  198.147   4.0787  266.141   10.948  275.280   15.527  257.104   15.439  201.531   5.6855  194.763   5.8498 6.768738 8.157497 
1 1 1    2    5   24 o  334.582   4.9337  758.570   22.365  744.046   31.267  773.787   32.005  331.304   6.9643  337.860   6.9903 -6.556030 9.867428 
1 1 1    2    5   25 o  834.613   9.6113  4726.72  108.696  4670.91  152.511  4784.34  154.957  829.609   13.566  839.617   13.619 -10.00787 19.22266 
1 1 1    2    5   27 o  683.856   8.0879  3170.76   74.934  3105.82  104.579  3239.28  107.424  676.665   11.405  691.046   11.471 -14.38092 16.17587 
1 1 1    2    5   28 o  1090.15   15.022  8069.45  208.792  8043.40  255.043  8122.39  363.567  1088.18   17.295  1092.12   24.566 -3.943237 30.04345 
1 1 1    2    5   29 o  223.498   5.2860  335.796   14.962  330.822   18.108  346.498   26.564  220.930   6.0482  226.067   8.6710 -5.136993 10.57203 
1 1 1    2    5   30 o  357.762   5.1461  866.762   24.937  836.587   34.632  899.253   35.936  351.302   7.2746  364.221   7.2808 -12.91968 10.29225 
1 1 1    2    5   31 o  870.673   9.9763  5145.51  117.708  5132.18  166.087  5158.96  166.845  869.542   14.095  871.804   14.122 -2.262085 19.95270 
1 1 1    2    5   32 o  579.750   7.0945  2279.47   55.737  2272.47   78.564  2286.56   79.085  578.855   10.016  580.644   10.051 -1.788940 14.18908 
1 1 1    2    5   33 o  397.567   5.4745  1071.35   29.491  1055.06   41.327  1088.27   42.096  394.487   7.7307  400.647   7.7534 -6.159485 10.94891 
1 1 1    2    5   34 o  903.288   10.324  5540.74  126.372  5514.27  178.046  5567.61  179.396  901.117   14.580  905.459   14.620 -4.342712 20.64815 
1 1 1    2    5   35 o  687.346   9.9588  3178.00   86.884  3123.38  105.316  3294.40  153.734  678.445   11.455  696.246   16.294 -17.80090 19.91753 
1 1 1    2    5   36 o  673.817   11.355  3081.15  103.680  3081.15  103.680   0.0000   0.0000  673.817   11.355  ?   ?       ?      ? 
1 1 1    2    5   37 o  1072.59   12.094  7817.27  175.698  7595.77  243.685  8057.08  253.559  1056.80   17.016  1088.38   17.192 -31.57532 24.18862 
1 1 1    2    5   38 o  306.105   6.8911  635.297   28.585   0.0000   0.0000  635.297   28.585  ?   ?   306.105   6.8911      ?      ? 
1 1 1    2    5   39 o  498.856   6.3865  1688.17   43.174  1695.73   61.087  1680.63   61.027  499.973   9.0161  497.739   9.0477 2.233490 12.77301 
1 1 1    2    5   40 o  878.376   12.369  5229.16  138.353  5322.63  242.121  5183.85  168.588  883.467   20.224  873.284   14.246 10.18304 24.73743 
1 1 1    2    5   41 o  309.147   6.9420  648.101   29.083   0.0000   0.0000  648.101   29.083  ?   ?   309.147   6.9420      ?      ? 
1 1 1    2    5   42 o  187.405   5.3266  237.333   12.745  240.864   22.184  235.594   15.570  188.408   8.6888  186.402   6.1640 2.006622 10.65321 
1 1 1    2    5   43 f  436.612   5.8602  1292.96   34.666  1264.66   48.449  1322.66   49.621  431.717   8.2814  441.506   8.2936 -9.788177 11.72031 
1 1 1    2    5   44 o  210.446   4.3895  300.126   12.511  286.490   17.457  314.525   17.939  205.533   6.2677  215.359   6.1470 -9.825500 8.778913 
1 1 1    2    5   45 o  372.559   5.3517  941.773   27.018  934.916   38.029  948.761   38.392  371.190   7.5603  373.927   7.5766 -2.737274 10.70342 
1 1 1    2    5   46 o  110.519   5.8694   80.248   8.1821   75.971   9.7867   90.178   14.913  105.820   6.8248  115.219   9.5509 -9.399490 11.73874 
1 1 1    2    5   47 o  389.928   6.7627  1021.79   33.370  1002.17   40.320  1064.45   59.452  384.237   7.7435  395.619   11.089 -11.38211 13.52541 
1 1 1    2    5   48 o  449.318   5.9929  1371.15   36.490  1367.50   51.472  1374.83   51.737  448.718   8.4648  449.918   8.4857 -1.199310 11.98580 
1 1 1    2    5   49 f  590.586   7.2734  2372.25   58.210  2376.61   82.288  2367.88   82.356  591.133   10.272  590.039   10.300 1.093689 14.54674 
1 1 1    2    5   50 o  280.950   4.7618  535.782   18.128  539.187   25.566  532.339   25.709  281.851   6.6937  280.049   6.7743 1.801361 9.523517 
1 1 1    2    5   51 o  379.322   5.4387  976.977   27.952  958.786   39.105  995.984   39.970  375.714   7.6805  382.930   7.7026 -7.216217 10.87748 
1 1 1    2    5   52 o  194.383   4.4617  256.310   11.734  276.626   16.825  237.067   16.374  201.887   6.1498  186.878   6.4658 15.00858 8.923361 
1 1 1    2    5   53 o  427.614   7.1217  1237.25   38.855  1222.52   47.396  1267.44   67.849  424.091   8.2470  431.137   11.613 -7.046600 14.24343 
1 1 1    2    5   54 o  210.642   4.5381  301.150   12.952  294.716   18.120  307.871   18.519  208.343   6.4180  212.942   6.4178 -4.599152 9.076275 
1 1 1    2    5   55 o  237.512   4.6186  382.246   14.834  418.971   21.491  348.822   20.502  248.396   6.3844  226.627   6.6757 21.76964 9.237195 
1 1 1    2    5   56 o  111.397   5.0394   84.187   7.5996   87.239   11.059   81.457   10.461  113.304   7.2025  109.491   7.0503 3.812584 10.07882 
1 1 1    2    5   57 o  373.693   7.7451  953.114   39.214  973.941   55.441  932.262   55.474  377.809   10.829  369.577   11.076 8.231995 15.49023 
1 1 1    2    5   58 o   52.299   10.393   18.181   8.3792   6.9709   11.666   30.129   12.043   39.544   15.299   65.054   14.070 -25.51035 20.78519 
1 1 1    2    5   59 o  144.513   5.7291  140.191   10.534  147.711   18.618  136.650   12.776  147.222   9.3322  141.804   6.6483 5.417740 11.45816 
1 1 1    2    5   60 o  500.509   6.5231  1706.32   44.228  1759.75   63.521  1656.04   61.619  508.109   9.2253  492.909   9.2250 15.19943 13.04629 
1 1 1    2    5   61 o  178.095   4.6470  215.632   11.206  204.124   15.767  227.376   15.928  173.281   6.7146  182.910   6.4261 -9.628937 9.294098 
1 1 1    2    5   62 o  161.628   5.9183  178.928   12.087  180.677   14.692  175.263   21.262  163.018   6.6506  160.238   9.7916 2.779388 11.83663 
1 1 1    2    5   63 o   96.931   7.2467   65.951   8.8192   69.207   10.783   59.370   15.328  100.811   7.8931   93.052   12.156 7.758842 14.49336 
1 1 1    2    5   64 f  227.605   4.7156  352.047   14.534  333.835   20.269  371.322   20.853  221.541   6.7515  233.670   6.5853 -12.12939 9.431263 
1 1 1    2    5   65 o  289.930   4.9686  572.034   19.519  584.507   27.709  559.747   27.500  293.076   6.9768  286.784   7.0761 6.292267 9.937152 
1 1 1    2    5   66 o  106.982   5.4013   77.975   7.8288   75.777   11.032   80.204   11.112  105.457   7.7194  108.507   7.5570 -3.049416 10.80270 
1 1 1    2    5   67 o  210.018   4.6948  300.191   13.361  299.969   18.929  300.411   18.862  209.939   6.6536  210.098   6.6251 -0.1583405 9.389509 
1 1 1    2    5   68 o   96.204   5.7002   63.168   7.3758   73.747   10.638   53.377   10.235  104.004   7.5483   88.405   8.5434 15.59840 11.40030 
1 1 1    2    5   69 o  305.610   6.1195  597.710   23.529  536.647   27.864  749.444   43.924  280.531   7.3297  330.689   9.8016 -50.15784 12.23906 
1 1 1    2    5   70 o  118.804   5.2645   96.192   8.4687  101.506   12.228   91.293   11.740  121.958   7.3987  115.649   7.4911 6.308701 10.52891 
1 1 1    2    5   71 o  205.041   6.8136  286.801   18.932  286.801   18.932   0.0000   0.0000  205.041   6.8136  ?   ?       ?      ? 
1 1 1    2    5   72 o  247.841   5.9478  417.486   18.810  431.509   32.886  410.668   22.931  250.445   9.6897  245.237   6.9002 5.208084 11.89551 
1 1 1    2    5   73 o  183.940   4.7875  231.180   11.931  230.361   17.035  231.969   16.715  183.603   6.8468  184.277   6.6934 -0.6741638 9.574944 
1 1 1    2    5   74 o  213.028   5.8122  303.980   15.721  333.915   28.132  290.387   18.957  220.004   9.4360  206.053   6.7890 13.95090 11.62447 
1 1 1    2    5   75 o   98.147   5.6721   66.140   7.4987   76.376   10.853   56.789   10.373  105.478   7.5927   90.816   8.4288 14.66219 11.34427 
1 1 1    2    5   76 o   59.717   8.0635   25.285   6.3786   21.470   8.7554   29.600   9.3117   54.260   12.203   65.174   10.543 -10.91387 16.12696 
1 1 1    2    5   77 o  142.897   6.2415  141.948   11.194  142.810   13.530  140.077   19.931  144.189   6.9245  141.605   10.386 2.583603 12.48296 
1 1 1    2    5   78 o   92.153   5.9057   58.842   7.3436   51.997   10.247   66.072   10.530   86.545   8.7367   97.760   7.9486 -11.21413 11.81150 
1 1 1    2    5   79 o   71.504   6.9878   35.729   6.7205   30.147   9.2250   42.043   9.8104   65.442   10.402   77.566   9.3332 -12.12366 13.97554 
1 1 1    2    5   80 o  128.152   6.2210  116.174   10.218  119.515   12.676  109.976   17.265  131.483   7.1143  124.820   10.207 6.663361 12.44196 
1 1 1    2    5   81 o   72.588   8.4075   38.377   7.7249   38.587   12.839   38.258   9.6713   71.561   13.739   73.616   9.6947 -2.054779 16.81506 
1 1 1    2    5   82 o  112.897   5.3972   88.752   8.2492   83.472   11.479   94.390   11.863  109.382   7.7442  116.411   7.5197 -7.029259 10.79437 
1 1 1    2    5   83 o   39.211   9.7915   8.7869   6.3661   4.6081   7.7986   17.133   11.021   31.182   12.375   47.239   15.178 -16.05719 19.58300 
1 1 1    2    5   84 o  110.239   6.8477   89.264   9.5246   79.615   16.233   94.330   11.762  104.397   11.474  116.081   7.4772 -11.68429 13.69549 
1 1 1    2    5   85 o   36.799   9.4492   8.9857   6.5773  -0.4689   11.486   13.599   8.0230   31.403   13.844   42.196   12.864 -10.79353 18.89832 
1 1 1    2    5   86 o  129.403   6.4270  121.919   10.609  112.880   17.917  126.799   13.165  124.376   10.630  134.429   7.2269 -10.05312 12.85408 
1 1 1    2    5   87 o   61.371   11.678   28.706   9.3576   0.0000   0.0000   28.706   9.3576  ?   ?    61.371   11.678      ?      ? 
1 1 1    2    5   88 o   20.331   9.7032  -8.5706   7.4623   0.0000   0.0000  -8.5706   7.4623  ?   ?    20.331   9.7032      ?      ? 
1 1 1    2    5   89 o   39.009   10.811   10.047   8.2944   10.820   10.933   8.9993   12.732   39.264   14.905   38.753   15.663 0.5104942 21.62160 
1 1 1    2    5   90 o   41.062   11.223   12.027   8.7682   10.647   11.468   13.968   13.604   39.145   15.162   42.980   16.551 -3.834900 22.44550 
1 1 1    2    5   91 o   76.558   10.274   48.029   10.382   49.248   14.089   46.580   15.357   79.148   13.136   73.969   15.800 5.179375 20.54724 
1 1 1    2    5   92 f   52.425   11.267   24.462   9.3925   34.006   12.981   13.976   13.607   62.718   15.389   42.131   16.460 20.58664 22.53367 
1 1 1    2    5   93 o   47.899   11.392   19.855   9.2818   10.861   12.789   29.865   13.492   38.820   15.695   56.978   16.515 -18.15806 22.78380 
1 1 1    2    5   94 o   51.310   11.955   25.342   9.7961   20.695   13.918   29.905   13.790   46.702   16.987   55.919   16.825 -9.216434 23.90954 
1 1 1    2    5   95 o   78.896   15.555   56.509   16.039   56.509   16.039   0.0000   0.0000   78.896   15.555  ?   ?       ?      ? 
1 1 1    2    5   96 o   24.204   11.727 -12.2086   11.896 -12.2086   11.896   0.0000   0.0000   24.204   11.727  ?   ?       ?      ? 
1 1 1    2    5   97 o   42.095   16.449   18.525   13.590   18.525   13.590   0.0000   0.0000   42.095   16.449  ?   ?       ?      ? 
1 1 1    2    6    0 o  359.219   5.0933  874.900   24.792  867.368   34.816  882.649   35.311  357.651   7.1834  360.786   7.2224 -3.135193 10.18653 
1 1 1    2    6    1 o  551.797   6.7963  2065.15   50.811  2111.90   72.655  2020.41   71.087  557.907   9.6099  545.688   9.6130 12.21832 13.59267 
1 1 1    2    6    2 o  292.217   4.5856  578.857   18.156  594.448   25.836  563.647   25.519  296.105   6.4387  288.329   6.5311 7.775635 9.171288 
1 1 1    2    6    3 o  331.086   4.8684  743.283   21.842  745.601   30.822  740.945   30.958  331.606   6.8589  330.567   6.9108 1.038635 9.736723 
1 1 1    2    6    4 o  180.618   3.9653  220.936   9.7004  211.757   13.496  230.747   13.953  176.741   5.6348  184.496   5.5807 -7.755798 7.930626 
1 1 1    2    6    5 o  304.546   4.6752  628.781   19.293  622.769   27.079  634.978   27.494  303.069   6.5934  306.024   6.6299 -2.954987 9.350340 
1 1 1    2    6    6 o  463.451   6.0024  1454.11   37.659  1390.88   51.872  1524.58   54.762  452.820   8.4532  474.081   8.5240 -21.26080 12.00483 
1 1 1    2    6    7 o  560.981   9.7629  2138.62   74.216  2158.89  105.323  2118.63  104.596  563.623   13.790  558.339   13.824 5.284241 19.52579 
1 1 1    2    6    8 o  350.714   7.1250  833.820   33.844  803.247   46.959  866.862   48.820  344.033   10.073  357.396   10.080 -13.36328 14.25003 
1 1 1    2    6    9 o  285.543   5.2956  557.869   17.723  562.855   20.500  543.114   35.268  288.156   5.2497  282.930   9.1986 5.226074 10.59120 
1 1 1    2    6   10 o  302.912   5.6829  609.906   21.818  588.477   26.304  657.155   39.059  294.605   6.5887  311.218   9.2613 -16.61295 11.36586 
1 1 1    2    6   11 o  124.316   4.5271  104.363   6.6161  103.944   7.6389  105.621   13.236  123.838   4.5519  124.794   7.8267 -0.9554825 9.054128 
1 1 1    2    6   12 o  445.289   6.7222  1334.77   34.935  1324.69   40.158  1366.14   70.837  442.011   6.7043  448.566   11.653 -6.554871 13.44433 
1 1 1    2    6   13 o  779.445   9.0385  4126.11   95.467  4102.25  134.424  4150.40  135.607  777.174   12.764  781.716   12.801 -4.541870 18.07709 
1 1 1    2    6   14 o  723.869   8.4780  3557.28   83.162  3586.43  118.118  3528.62  117.105  726.809   11.993  720.929   11.987 5.880432 16.95592 
1 1 1    2    6   15 o  979.961   11.099  6527.93  147.392  6547.60  208.775  6508.39  208.114  981.433   15.698  978.490   15.695 2.942322 22.19802 
1 1 1    2    6   16 o  637.997   9.3540  2765.39   76.305  2759.56  131.863  2768.32   93.561  637.262   15.269  638.732   10.809 -1.469788 18.70810 
1 1 1    2    6   17 o  635.647   9.3240  2732.92   75.545  2773.48  131.911  2713.13   92.154  638.929   15.235  632.365   10.754 6.564270 18.64809 
1 1 1    2    6   18 f  576.480   9.9645  2254.16   77.843   0.0000   0.0000  2254.16   77.843  ?   ?   576.480   9.9645      ?      ? 
1 1 1    2    6   19 o  219.669   5.2192  335.927   14.729  297.835   24.386  357.806   18.481  209.580   8.5865  229.758   5.9359 -20.17778 10.43848 
1 1 1    2    6   20 o  350.419   6.1814  835.725   27.791  822.871   47.538  842.399   34.254  348.323   10.071  352.515   7.1705 -4.192230 12.36290 
1 1 1    2    6   21 o  1210.58   13.530  9957.17  221.899  9747.55  309.205 10179.76  318.632  1197.47   19.055  1223.69   19.215 -26.22668 27.06078 
1 1 1    2    6   22 o  229.048   4.2864  355.554   13.304  353.088   18.683  358.091   18.948  228.242   6.0404  229.853   6.0833 -1.611008 8.572778 
1 1 1    2    6   23 o  605.915   7.3595  2489.41   60.422  2459.38   84.686  2520.54   86.234  602.195   10.378  609.634   10.438 -7.438599 14.71906 
1 1 1    2    6   24 o  457.118   5.9661  1414.29   36.925  1356.53   50.961  1478.12   53.578  447.310   8.4071  466.926   8.4675 -19.61536 11.93224 
1 1 1    2    6   25 o  563.480   8.5014  2150.99   61.093  2145.21   74.645  2162.71  106.325  562.451   9.7934  564.510   13.899 -2.059448 17.00272 
1 1 1    2    6   26 o  401.930   5.5110  1093.92   29.999  1058.42   41.565  1132.52   43.340  395.131   7.7625  408.729   7.8248 -13.59723 11.02203 
1 1 1    2    6   27 o  535.289   6.6965  1942.71   48.572  1922.97   68.194  1963.04   69.201  532.531   9.4497  538.047   9.4909 -5.516479 13.39304 
1 1 1    2    6   28 o  760.452   8.8773  3920.86   91.446  3821.19  127.166  4027.60  131.595  750.455   12.504  770.449   12.604 -19.99408 17.75457 
1 1 1    2    6   29 o  136.658   4.2488  126.875   7.8489  135.456   11.009  118.006   11.193  141.370   5.7468  131.947   6.2597 9.423599 8.497634 
1 1 1    2    6   30 o  530.149   6.6491  1905.94   47.768  1918.50   67.678  1893.47   67.431  531.890   9.3895  528.407   9.4169 3.482239 13.29813 
1 1 1    2    6   31 o  787.038   9.1495  4204.18   97.584  4203.91  137.876  4204.46  138.133  787.013   12.928  787.063   12.951 -0.4931641E-01 18.29906 
1 1 1    2    6   32 o  641.717   7.7078  2793.48   67.024  2765.51   94.130  2822.24   95.456  638.461   10.880  644.973   10.921 -6.511963 15.41560 
1 1 1    2    6   34 o  149.734   5.1352  150.013   9.8821  145.903   12.100  158.246   17.126  146.709   6.0861  152.760   8.2730 -6.050369 10.27046 
1 1 1    2    6   35 o  145.872   5.1276  139.887   9.6352  130.993   11.744  158.204   16.854  139.007   6.2342  152.736   8.1427 -13.72954 10.25519 
1 1 1    2    6   36 o  360.787   5.2384  881.340   25.592  844.474   35.412  921.646   37.028  352.901   7.4049  368.673   7.4114 -15.77213 10.47675 
1 1 1    2    6   37 o  956.190   13.397  6277.23  164.782  6065.94  278.806  6390.66  204.279  942.913   21.820  969.467   15.549 -26.55328 26.79318 
1 1 1    2    6   38 o  547.936   8.3924  2047.24   58.968  2012.51  100.915  2065.25   72.664  544.193   13.684  551.680   9.7197 -7.487122 16.78484 
1 1 1    2    6   39 o  253.293   4.5660  434.592   15.665  418.389   21.773  451.978   22.554  248.404   6.4682  258.183   6.4465 -9.779434 9.132092 
1 1 1    2    6   40 o  785.414   9.1628  4192.61   97.520  4161.65  137.142  4224.27  138.698  782.486   12.933  788.342   12.983 -5.855774 18.32563 
1 1 1    2    6   41 o  340.909   6.3617  806.822   27.965  726.801   46.156  853.236   35.152  327.151   10.411  354.666   7.3139 -27.51511 12.72335 
1 1 1    2    6   42 o  249.072   9.0573  421.120   30.571  421.120   30.571   0.0000   0.0000  249.072   9.0573  ?   ?       ?      ? 
1 1 1    2    6   43 o  255.169   4.5921  441.405   15.875  430.414   22.158  452.994   22.754  251.907   6.4911  258.430   6.4973 -6.522827 9.184178 
1 1 1    2    6   44 o  417.884   7.0530  1181.82   37.436  1173.32   45.517  1199.58   65.814  415.765   8.0787  420.003   11.563 -4.237732 14.10593 
1 1 1    2    6   45 o  798.524   9.3190  4342.34  100.839  4381.54  143.301  4303.89  141.924  802.092   13.184  794.956   13.174 7.135803 18.63808 
1 1 1    2    6   46 o  783.919   9.1772  4185.50   97.480  4127.64  136.591  4245.55  139.160  778.409   12.949  789.429   13.008 -11.02081 18.35446 
1 1 1    2    6   47 o  399.366   5.5838  1082.21   30.208  1050.38   42.050  1116.15   43.423  393.303   7.8896  405.429   7.9036 -12.12549 11.16752 
1 1 1    2    6   48 o   55.109   7.2057   21.047   5.2448   24.509   7.5394   17.801   7.3009   60.047   9.2655   50.171   11.038 9.875370 14.41148 
1 1 1    2    6   49 o  304.289   4.9040  628.590   20.221  630.167   28.517  626.995   28.678  304.675   6.9068  303.903   6.9636 0.7724304 9.807982 
1 1 1    2    6   50 o  343.518   5.1879  801.390   24.150  800.107   34.029  802.692   34.279  343.243   7.3158  343.792   7.3578 -0.5495300 10.37585 
1 1 1    2    6   51 o  234.681   4.5662  373.847   14.521  370.290   20.416  377.489   20.658  233.552   6.4506  235.810   6.4646 -2.258331 9.132432 
1 1 1    2    6   52 o  483.910   6.3357  1592.62   41.544  1620.71   59.100  1565.18   58.409  488.133   8.9344  479.687   8.9855 8.445953 12.67133 
1 1 1    2    6   53 o  322.408   6.1321  700.150   25.268  686.717   30.822  727.680   44.126  317.937   7.1539  326.879   9.9615 -8.942169 12.26416 
1 1 1    2    6   54 o  285.158   4.8598  552.336   18.779  558.977   26.701  545.836   26.416  286.855   6.8687  283.462   6.8770 3.392944 9.719698 
1 1 1    2    6   55 o  345.912   10.441  815.854   48.945  815.854   48.945   0.0000   0.0000  345.912   10.441  ?   ?       ?      ? 
1 1 1    2    6   56 o  245.117   4.6665  408.171   15.500  403.500   21.868  412.887   21.973  243.705   6.6215  246.528   6.5773 -2.822922 9.333047 
1 1 1    2    6   57 o  130.289   4.7372  115.387   8.3608  112.037   11.846  118.711   11.802  128.398   6.8082  132.179   6.5889 -3.781326 9.474467 
1 1 1    2    6   58 o  183.690   5.6644  233.122   13.229  219.254   22.750  240.207   16.261  179.354   9.3603  188.026   6.3817 -8.671814 11.32876 
1 1 1    2    6   59 f  103.666   6.5835   74.868   8.5275   69.018   15.060   77.629   10.346  100.489   11.060  106.843   7.1455 -6.353775 13.16708 
1 1 1    2    6   60 o  236.102   5.8457  382.426   17.567  387.961   21.523  371.379   30.406  238.892   6.6485  233.312   9.6170 5.580276 11.69145 
1 1 1    2    6   61 o  238.077   6.7195  386.719   21.669  385.202   30.174  388.335   31.139  237.618   9.3706  238.537   9.6332 -0.9181519 13.43902 
1 1 1    2    6   62 o  202.686   5.8672  281.109   15.104  283.373   18.436  276.487   26.338  204.134   6.6647  201.238   9.6581 2.896255 11.73439 
1 1 1    2    6   63 o   57.948   8.0566   23.777   6.1001   22.324   8.5514   25.283   8.7043   56.064   11.637   59.832   11.145 -3.768272 16.11312 
1 1 1    2    6   64 o  142.738   4.8279  138.632   9.3359  142.968   13.247  134.354   13.160  144.963   6.7432  140.513   6.9111 4.449234 9.655740 
1 1 1    2    6   65 o  369.488   5.5159  930.365   27.616  945.179   39.178  915.735   38.934  372.422   7.7629  366.555   7.8381 5.867004 11.03172 
1 1 1    2    6   66 o  111.889   5.3746   85.326   8.1395   90.925   11.605   79.906   11.419  115.517   7.4134  108.261   7.7837 7.256828 10.74913 
1 1 1    2    6   67 o  131.043   5.0252  117.136   8.9064  108.581   12.579  125.738   12.613  126.213   7.3544  135.872   6.8501 -9.659569 10.05038 
1 1 1    2    6   68 o  152.762   4.8464  158.899   10.027  166.344   14.380  151.853   13.990  156.250   6.7912  149.274   6.9159 6.976334 9.692795 
1 1 1    2    6   69 o  225.194   5.7397  343.530   16.711  336.479   20.638  356.957   28.478  222.149   6.8555  228.238   9.2075 -6.089188 11.47935 
1 1 1    2    6   70 o  129.244   6.1736  113.352   10.236  117.907   17.731  111.075   12.536  130.948   9.9921  127.539   7.2533 3.409508 12.34719 
1 1 1    2    6   71 o  157.208   4.9050  168.587   10.439  179.367   15.025  158.526   14.515  162.077   6.8408  152.338   7.0312 9.739624 9.809944 
1 1 1    2    6   72 o  183.933   4.7799  231.105   11.908  221.401   16.708  241.125   16.977  179.989   6.8500  187.877   6.6683 -7.888443 9.559728 
1 1 1    2    6   73 o  207.950   4.7956  295.538   13.508  306.897   19.404  284.856   18.817  211.830   6.7597  204.069   6.8042 7.760880 9.591193 
1 1 1    2    6   74 o  107.014   6.9547   81.008   9.3234   74.658   16.346   84.070   11.351  103.364   11.670  110.663   7.5691 -7.299629 13.90938 
1 1 1    2    6   75 o  114.427   7.1469   98.013   10.002  111.673   12.376   72.287   16.984  127.541   7.1608  101.314   12.371 26.22739 14.29385 
1 1 1    2    6   76 o   76.179   8.5623   44.506   7.8043   50.442   9.6703   33.419   13.217   85.427   8.3533   66.931   14.949 18.49596 17.12457 
1 1 1    2    6   77 o  196.586   6.0406  274.989   15.296  243.127   25.076  293.872   19.304  186.490   9.9223  206.682   6.8924 -20.19206 12.08127 
1 1 1    2    6   78 o  102.075   5.7016   72.375   7.8640   66.182   11.121   78.569   11.122   97.597   8.4086  106.552   7.7025 -8.954544 11.40318 
1 1 1    2    6   79 o  147.058   4.9469  149.464   9.8501  156.678   13.953  142.296   13.907  150.661   6.8342  143.454   7.1539 7.207047 9.893714 
1 1 1    2    6   80 o  130.402   5.1156  117.904   9.0396  118.222   12.740  117.582   12.828  130.593   7.1991  130.211   7.2699 0.3825531 10.23126 
1 1 1    2    6   81 o   87.017   6.0329   53.125   7.1123   54.745   10.165   51.572   9.9543   88.330   8.4926   85.704   8.5709 2.625343 12.06582 
1 1 1    2    6   82 o   85.100   6.1224   50.917   7.0008   42.558   9.6259   60.304   10.200   77.505   9.1649   92.695   8.1203 -15.19089 12.24481 
1 1 1    2    6   83 o   48.747   10.486   18.149   8.0583   9.6097   11.415   26.633   11.378   39.352   15.159   58.143   14.492 -18.79080 20.97135 
1 1 1    2    6   84 f   82.758   9.0774   51.868   9.8675   45.154   13.934   58.623   13.976   76.207   14.008   89.308   11.548 -13.10091 18.15479 
1 1 1    2    6   85 o  105.068   7.0479   79.980   9.3631   79.265   16.374   80.328   11.413  103.484   11.676  106.652   7.8970 -3.167915 14.09578 
1 1 1    2    6   86 o   45.676   9.1556   17.163   7.1268   0.8887   11.807   26.491   8.9390   32.400   14.166   58.952   11.603 -26.55216 18.31130 
1 1 1    2    6   87 o   45.388   11.395   14.893   9.0407   8.1073   11.964   23.928   13.804   37.708   15.203   53.068   16.979 -15.36066 22.79097 
1 1 1    2    6   88 o  123.724   11.706  115.096   19.627   0.0000   0.0000  115.096   19.627  ?   ?   123.724   11.706      ?      ? 
1 1 1    2    6   89 o   30.109   9.5319  -2.9825   8.1494  -9.0384   10.995   4.3996   12.140   25.584   12.084   34.634   14.745 -9.050262 19.06380 
1 1 1    2    6   90 o   88.743   9.7340   62.292   11.072   44.835   14.945   83.531   16.484   72.761   15.624  104.726   11.615 -31.96528 19.46803 
1 1 1    2    6   91 o   41.091   10.457   10.737   8.7794   24.177   12.165  -3.8719   12.683   52.411   15.810   29.771   13.691 22.63966 20.91438 
1 1 1    2    6   92 o   35.788   10.653   6.4358   8.8939   2.2240   12.266   11.105   12.915   32.437   14.303   39.139   15.791 -6.702599 21.30542 
1 1 1    2    6   93 o   40.338   10.527   8.9472   9.1900  -7.8233   12.827   26.635   13.173   27.574   13.032   53.102   16.535 -25.52771 21.05345 
1 1 1    2    6   94 o   64.892   11.970   40.741   10.691   36.223   14.989   45.421   15.254   60.343   17.383   69.442   16.461 -9.099224 23.93988 
1 1 1    2    6   95 o   23.582   11.487 -13.9408   11.824 -13.9408   11.824   0.0000   0.0000   23.582   11.487  ?   ?       ?      ? 
1 1 1    2    6   96 o   45.433   16.962   22.413   14.029   22.413   14.029   0.0000   0.0000   45.433   16.962  ?   ?       ?      ? 
1 1 1    2    7    0 o  515.549   6.4874  1802.98   45.321  1827.93   64.431  1778.55   63.762  519.080   9.1597  512.018   9.1895 7.061951 12.97486 
1 1 1    2    7    1 o  677.401   8.0393  3112.17   73.761  3023.89  102.335  3207.63  106.411  667.417   11.315  687.384   11.424 -19.96613 16.07862 
1 1 1    2    7    2 o  857.456   13.975  5007.21  162.338  4896.69  226.138  5124.72  233.184  847.719   19.685  867.193   19.843 -19.47443 27.95065 
1 1 1    2    7    3 o  593.989   10.237  2396.36   82.371  2339.27  114.712  2457.14  118.354  586.695   14.428  601.282   14.525 -14.58710 20.47320 
1 1 1    2    7    4 o  771.644   11.013  4040.36  108.314  4024.79  132.243  4072.09  188.797  769.838   12.676  773.450   18.013 -3.612000 22.02600 
1 1 1    2    7    5 o  598.882   8.9201  2434.06   68.106  2431.14   83.222  2439.97  118.510  598.564   10.260  599.201   14.595 -0.6372070 17.84026 
1 1 1    2    7    6 o  349.091   6.2266  831.002   27.719  839.827   33.980  813.449   47.924  351.940   7.1248  346.243   10.214 5.697144 12.45329 
1 1 1    2    7    7 o  623.295   9.1972  2613.10   72.660  2568.46   87.963  2708.98  128.915  615.234   10.551  631.356   15.068 -16.12201 18.39433 
1 1 1    2    7    8 o  445.411   7.1703  1337.61   40.596  1322.06   49.336  1370.20   71.437  441.529   8.2456  449.294   11.733 -7.765625 14.34059 
1 1 1    2    7    9 o  726.927   10.434  3542.17   95.901  3460.07  115.679  3722.59  171.491  713.974   11.956  739.880   17.104 -25.90601 20.86852 
1 1 1    2    7   10 o  191.155   5.0818  248.341   12.351  249.491   15.075  245.991   21.544  191.851   5.7984  190.459   8.3473 1.391602 10.16359 
1 1 1    2    7   11 o  772.323   12.730  4052.75  133.167  3937.20  184.802  4177.55  192.060  760.895   17.923  783.750   18.083 -22.85541 25.46019 
1 1 1    2    7   12 o  287.252   6.5526  559.197   25.497  540.593   35.530  578.951   36.611  282.329   9.2866  292.175   9.2468 -9.846161 13.10512 
1 1 1    2    7   13 o  455.312   8.4228  1402.39   51.889  1322.10   71.093  1493.94   75.910  441.409   11.885  469.215   11.938 -27.80615 16.84567 
1 1 1    2    7   14 o  278.046   9.1585  524.256   34.508   0.0000   0.0000  524.256   34.508  ?   ?   278.046   9.1585      ?      ? 
1 1 1    2    7   15 o  551.968   8.3821  2072.07   59.164  2082.30   72.622  2051.87  102.025  554.121   9.6712  549.815   13.693 4.306030 16.76414 
1 1 1    2    7   16 o  848.025   9.7466  4879.70  111.990  4964.16  160.075  4798.73  156.734  855.208   13.812  840.843   13.755 14.36493 19.49326 
1 1 1    2    7   17 o  160.510   4.1215  174.638   8.9637  176.119   12.606  173.124   12.749  161.199   5.7705  159.822   5.8864 1.377853 8.243084 
1 1 1    2    7   18 o  1246.18   13.893 10557.44  234.615 10558.52  331.777 10556.35  331.816  1246.25   19.645  1246.12   19.650 0.1292725 27.78575 
1 1 1    2    7   19 o  613.685   7.4290  2554.07   61.781  2538.93   87.007  2569.47   87.739  611.852   10.494  615.519   10.519 -3.666687 14.85810 
1 1 1    2    7   20 o  1036.92   11.714  7301.50  164.587  7245.12  231.432  7359.19  234.114  1032.87   16.535  1040.96   16.596 -8.090332 23.42706 
1 1 1    2    7   21 o  260.116   5.4828  456.128   18.134  451.393   22.050  466.021   31.874  258.065   6.3052  262.168   8.9716 -4.103302 10.96558 
1 1 1    2    7   22 o  690.515   10.004  3224.33   87.988  3201.78  107.264  3270.73  153.841  687.032   11.521  693.998   16.358 -6.965149 20.00798 
1 1 1    2    7   23 o  209.381   5.9648  297.138   16.925  297.138   16.925   0.0000   0.0000  209.381   5.9648  ?   ?       ?      ? 
1 1 1    2    7   24 o  606.825   7.3697  2497.03   60.598  2469.59   85.015  2525.37   86.400  603.438   10.396  610.212   10.448 -6.773621 14.73944 
1 1 1    2    7   25 o  568.404   7.0105  2190.95   53.998  2181.04   76.055  2201.03   76.678  567.108   9.8965  569.699   9.9321 -2.591431 14.02094 
1 1 1    2    7   26 o  547.757   6.8107  2034.71   50.554  2037.82   71.402  2031.59   71.588  548.178   9.6118  547.337   9.6516 0.8411255 13.62134 
1 1 1    2    7   27 o  190.992   4.2641  246.858   11.027  235.006   15.261  259.806   15.952  186.203   6.0482  195.782   6.0124 -9.578888 8.528164 
1 1 1    2    7   28 o  224.492   4.3787  341.559   13.319  338.812   18.668  344.406   19.009  223.573   6.1617  225.410   6.2229 -1.837311 8.757386 
1 1 1    2    7   29 o  229.725   6.2847  357.729   19.565   0.0000   0.0000  357.729   19.565  ?   ?   229.725   6.2847      ?      ? 
1 1 1    2    7   30 o  477.551   6.1940  1546.54   40.083  1541.31   56.448  1551.86   56.928  476.738   8.7375  478.365   8.7818 -1.626221 12.38807 
1 1 1    2    7   31 o  539.393   6.7599  1973.28   49.408  2002.14   70.312  1945.13   69.445  543.289   9.5502  535.497   9.5697 7.791870 13.51985 
1 1 1    2    7   32 o  705.062   10.218  3374.60   91.960  3369.13  112.499  3385.61  159.644  704.520   11.783  705.604   16.696 -1.084351 20.43526 
1 1 1    2    7   33 o  240.659   5.4368  386.012   16.698  373.430   20.274  412.546   29.441  234.697   6.3744  246.621   8.8092 -11.92412 10.87359 
1 1 1    2    7   34 o  348.987   6.3235  818.466   28.125  848.649   49.381  803.974   34.217  353.640   10.304  344.333   7.3329 9.306183 12.64705 
1 1 1    2    7   35 o  537.364   8.2950  1973.54   57.202  1920.00   97.477  2001.67   70.644  531.582   13.532  543.145   9.5979 -11.56268 16.58991 
1 1 1    2    7   37 o  201.956   6.3006  276.548   17.243   0.0000   0.0000  276.548   17.243  ?   ?   201.956   6.3006      ?      ? 
1 1 1    2    7   38 o  161.782   4.3880  177.378   9.6167  173.920   13.387  181.065   13.823  160.154   6.1683  163.410   6.2425 -3.255569 8.775918 
1 1 1    2    7   39 o  309.744   6.9371  650.730   29.118  650.730   29.118   0.0000   0.0000  309.744   6.9371  ?   ?       ?      ? 
1 1 1    2    7   40 o  529.368   8.1668  1866.07   54.660  2010.99   98.296  1801.19   65.766  543.674   13.342  515.062   9.4224 28.61200 16.33352 
1 1 1    2    7   41 o  138.466   6.6177  131.702   12.236  155.716   17.174  106.947   17.437  151.463   8.3670  125.468   10.255 25.99519 13.23549 
1 1 1    2    7   42 o  144.353   5.6728  140.454   10.170  139.003   12.125  143.899   18.676  143.154   6.2505  145.552   9.4685 -2.398575 11.34552 
1 1 1    2    7   43 o  302.020   4.8745  618.661   19.946  606.784   27.839  631.189   28.591  299.044   6.8696  304.996   6.9175 -5.951599 9.749035 
1 1 1    2    7   44 o  115.717   4.6833   90.775   7.3399   86.711   10.222   95.100   10.546  113.045   6.6726  118.389   6.5735 -5.344246 9.366695 
1 1 1    2    7   45 o  403.786   5.6204  1106.55   30.745  1080.23   42.877  1134.41   44.110  398.847   7.9329  408.724   7.9639 -9.877014 11.24080 
1 1 1    2    7   46 o  375.048   5.4175  955.162   27.533  963.386   38.977  946.972   38.899  376.662   7.6362  373.434   7.6867 3.227905 10.83504 
1 1 1    2    7   47 o   96.220   5.0886   62.843   6.6340   61.923   9.2759   63.806   9.4915   95.501   7.1674   96.940   7.2252 -1.439476 10.17723 
1 1 1    2    7   48 o  203.891   4.4615  282.220   12.324  286.854   17.338  277.487   17.521  205.588   6.2232  202.194   6.3947 3.394089 8.923052 
1 1 1    2    7   49 o  175.926   4.4911  210.114   10.706  213.517   15.113  206.687   15.167  177.359   6.2880  174.493   6.4142 2.865906 8.982242 
1 1 1    2    7   50 o  619.107   10.723  2611.38   89.962  2611.38   89.962   0.0000   0.0000  619.107   10.723  ?   ?       ?      ? 
1 1 1    2    7   51 o  409.515   5.7176  1140.04   31.729  1150.49   44.990  1129.70   44.754  411.384   8.0702  407.646   8.1016 3.737946 11.43518 
1 1 1    2    7   52 o  212.208   6.3010  306.281   18.112  293.743   25.340  319.376   25.897  207.761   9.0005  216.654   8.8205 -8.893829 12.60197 
1 1 1    2    7   53 o  206.745   6.3936  288.409   17.765  346.040   26.388  240.639   24.025  225.511   8.6350  187.979   9.4312 37.53134 12.78713 
1 1 1    2    7   54 o   89.878   5.4728   54.979   6.6447   49.531   9.3211   60.608   9.4748   85.333   8.0606   94.422   7.4048 -9.089890 10.94553 
1 1 1    2    7   55 o  132.049   6.6837  118.480   11.960  118.480   11.960   0.0000   0.0000  132.049   6.6837  ?   ?       ?      ? 
1 1 1    2    7   56 o  150.675   4.6244  154.264   9.4423  154.768   13.386  153.764   13.321  150.920   6.5452  150.430   6.5346 0.4898682 9.248811 
1 1 1    2    7   57 o  190.343   4.5943  245.792   11.830  267.053   17.086  226.214   16.396  198.248   6.3598  182.439   6.6320 15.80965 9.188624 
1 1 1    2    7   58 o  120.139   7.2022   98.573   11.639   83.413   16.161  114.911   16.777  110.482   10.794  129.796   9.5382 -19.31373 14.40446 
1 1 1    2    7   59 o  166.189   5.9695  196.381   12.491  164.160   21.113  213.734   15.494  155.054   10.048  177.325   6.4479 -22.27100 11.93903 
1 1 1    2    7   60 o  188.967   4.6746  242.383   11.956  259.472   17.276  226.672   16.565  195.357   6.5257  182.576   6.6950 12.78104 9.349267 
1 1 1    2    7   61 o  283.454   4.9586  546.646   19.047  545.607   26.969  547.680   26.904  283.183   7.0277  283.726   6.9975 -0.5425110 9.917280 
1 1 1    2    7   62 o  365.118   5.4684  907.925   27.055  921.124   38.450  894.981   38.077  367.751   7.7155  362.486   7.7515 5.264954 10.93684 
1 1 1    2    7   63 f  234.244   4.7783  373.328   15.166  364.739   21.357  382.064   21.539  231.520   6.8072  236.969   6.7074 -5.449600 9.556509 
1 1 1    2    7   64 o  224.529   4.7438  343.089   14.433  343.546   20.525  342.641   20.299  224.672   6.7415  224.385   6.6757 0.2864838 9.487506 
1 1 1    2    7   65 o  217.629   5.8095  324.434   16.208  319.337   27.748  327.073   19.968  216.072   9.4767  219.186   6.7227 -3.113495 11.61902 
1 1 1    2    7   66 o  113.330   6.5140   79.991   9.4343   65.760   11.275  113.219   17.228   98.112   8.4804  128.548   9.8900 -30.43593 13.02797 
1 1 1    2    7   67 o  134.174   5.0665  122.727   9.2091  124.122   13.223  121.413   12.833  134.906   7.2329  133.442   7.0967 1.464157 10.13302 
1 1 1    2    7   68 o  157.822   5.9281  172.694   11.944  163.386   20.394  177.553   14.736  154.273   9.7548  161.372   6.7387 -7.098907 11.85611 
1 1 1    2    7   69 o   79.219   8.0794   45.199   8.0412   48.905   10.235   39.222   12.998   84.440   8.9445   73.999   13.457 10.44120 16.15879 
1 1 1    2    7   70 o  352.327   5.4555  849.164   26.039  879.180   37.297  820.624   36.369  358.414   7.6790  346.240   7.7512 12.17413 10.91094 
1 1 1    2    7   71 o   26.832   8.2967  -1.6598   5.7700  -3.7156   8.3005   0.2626   8.0265   25.529   11.477   28.135   11.984 -2.606676 16.59338 
1 1 1    2    7   72 o  206.634   4.8384  292.092   13.546  285.796   18.977  298.633   19.343  204.362   6.8523  208.906   6.8328 -4.544876 9.676837 
1 1 1    2    7   73 o  111.959   11.015   87.372   16.712   87.372   16.712   0.0000   0.0000  111.959   11.015  ?   ?       ?      ? 
1 1 1    2    7   74 f   77.500   7.8084   39.273   7.8580   52.117   13.737   33.026   9.5802   86.138   11.768   68.861   10.266 17.27702 15.61688 
1 1 1    2    7   75 o   80.836   6.5274   45.747   6.9726   58.672   10.049   33.747   9.6827   92.177   8.0448   69.495   10.282 22.68184 13.05489 
1 1 1    2    7   76 o  139.507   4.9688  134.018   9.3934  133.956   13.244  134.081   13.325  139.480   7.0070  139.533   7.0469 -0.5274963E-01 9.937609 
1 1 1    2    7   77 o   81.870   6.2455   46.713   6.9214   49.629   9.8689   43.890   9.7098   84.437   8.6249   79.302   9.0353 5.134842 12.49101 
1 1 1    2    7   78 o   24.488   7.7963  -3.1297   5.4409  -2.8755   7.6412  -3.3911   7.7492   24.574   11.032   24.403   11.019 0.1712551 15.59257 
1 1 1    2    7   79 o   47.815   8.6718   17.177   5.8676   23.452   8.2875   10.870   8.3088   56.378   11.242   39.251   13.207 17.12729 17.34358 
1 1 1    2    7   80 o  104.886   5.5000   76.910   7.8017   81.975   10.998   71.779   11.069  108.483   7.4811  101.289   8.0643 7.194183 10.99996 
1 1 1    2    7   81 o   47.413   8.8732   9.6539   6.7879   36.601   12.246  -2.2983   8.1555   69.180   13.547   25.645   11.464 43.53491 17.74641 
1 1 1    2    7   82 o   36.827   9.5152   8.7474   6.6234   0.5563   11.099   13.278   8.2543   31.737   13.809   41.918   13.095 -10.18093 19.03034 
1 1 1    2    7   83 o   42.209   10.631   12.392   8.0156   18.503   11.261   6.1174   11.412   48.316   15.323   36.103   14.741 12.21238 21.26235 
1 1 1    2    7   84 o   28.486   9.0721  -2.7744   7.3796  -1.9097   10.310  -3.6829   10.568   28.852   12.894   28.120   12.766 0.7319756 18.14411 
1 1 1    2    7   85 o   92.387   8.8518   63.782   11.021   58.861   14.671   70.157   16.696   88.551   12.226   96.223   12.804 -7.671700 17.70354 
1 1 1    2    7   86 o  111.321   8.2057   93.039   12.284   98.424   16.769   86.803   18.045  115.586   10.706  107.055   12.438 8.530327 16.41134 
1 1 1    2    7   87 o  100.443   8.7808   74.997   11.790   61.127   15.474   94.191   18.202   89.297   12.787  111.588   12.037 -22.29025 17.56170 
1 1 1    2    7   88 o   68.751   16.689   40.803   15.393   0.0000   0.0000   40.803   15.393  ?   ?    68.751   16.689      ?      ? 
1 1 1    2    7   89 o   59.255   11.063   30.616   10.020   46.481   14.099   14.424   14.243   75.308   14.339   43.202   16.851 32.10608 22.12613 
1 1 1    2    7   90 o   45.054   11.735   17.302   9.5711   20.389   12.999   13.648   14.145   48.023   16.515   42.085   16.677 5.937572 23.47046 
1 1 1    2    7   91 o   41.483   11.440   12.973   9.5029   6.8489   12.965   20.083   13.969   36.006   15.281   46.961   17.028 -10.95523 22.87925 
1 1 1    2    7   92 o   36.304   10.777   6.8969   9.2610   14.326   13.328  -0.0387   12.878   41.294   16.244   31.314   14.166 9.979902 21.55322 
1 1 1    2    7   93 o   62.921   11.889   38.603   10.815   51.382   15.560   26.658   15.043   74.936   15.819   50.905   17.751 24.03088 23.77700 
1 1 1    2    7   94 o   49.183   11.316   22.442   9.9521   39.665   14.534   7.2353   13.656   63.331   16.697   35.035   15.279 28.29568 22.63285 
1 1 1    2    7   95 o   50.634   12.000   27.889   10.165   19.826   14.543   35.593   14.215   43.102   16.964   58.165   16.978 -15.06334 24.00092 
1 1 1    2    8    0 o  880.414   10.095  5260.96  120.413  5174.78  168.288  5351.36  172.367  873.036   14.225  887.793   14.327 -14.75787 20.18917 
1 1 1    2    8    1 o  1169.20   13.092  9293.93  207.430  9268.54  292.645  9319.56  294.060  1167.60   18.495  1170.80   18.534 -3.200928 26.18377 
1 1 1    2    8    2 o  605.246   7.3514  2482.56   60.267  2414.12   83.675  2556.32   86.875  596.589   10.350  613.903   10.443 -17.31335 14.70275 
1 1 1    2    8    3 o  1239.15   13.828 10442.44  232.195 10481.59  329.046 10403.61  327.706  1241.46   19.559  1236.84   19.552 4.625488 27.65534 
1 1 1    2    8    4 o  613.140   9.1123  2572.23   71.881  2483.67  121.612  2619.78   89.114  604.804   14.838  621.476   10.581 -16.67212 18.22451 
1 1 1    2    8    5 o  1090.59   15.031  8070.95  209.034  8158.96  364.239  8027.73  255.252  1094.23   24.564  1086.94   17.329 7.290894 30.06129 
1 1 1    2    8    6 o  844.798   11.905  4840.44  128.445  4872.07  222.942  4824.72  157.147  846.493   19.435  843.102   13.754 3.390625 23.80978 
1 1 1    2    8    7 o  504.850   6.4496  1723.42   44.062  1830.45   64.357  1628.99   60.453  519.561   9.1406  490.138   9.1015 29.42273 12.89915 
1 1 1    2    8    8 o  432.607   5.7905  1266.00   33.908  1205.35   46.651  1333.92   49.371  421.649   8.1644  443.565   8.2136 -21.91595 11.58103 
1 1 1    2    8    9 o  684.714   8.1251  3180.39   75.391  3184.09  106.518  3176.68  106.719  685.114   11.473  684.315   11.508 0.7997437 16.25012 
1 1 1    2    8   10 o  1343.39   17.320 12405.42  275.061 12527.11  319.702 12058.67  539.681  1357.93   17.373  1328.85   29.969 29.07751 34.64098 
1 1 1    2    8   11 o  561.392   8.0080  2120.81   52.417  2104.70   60.223  2171.15  106.453  557.185   7.9759  565.599   13.889 -8.413025 16.01608 
1 1 1    2    8   12 o   66.704   6.8122   32.871   4.9609   34.962   5.7340   26.646   9.8929   71.822   5.8914   61.585   12.285 10.23757 13.62436 
1 1 1    2    8   13 f  520.519   7.5574  1810.75   45.654  1786.26   52.263  1889.66   93.790  513.324   7.5131  527.715   13.115 -14.39050 15.11478 
1 1 1    2    8   14 o  385.297   6.2386  1006.58   28.155  1006.63   32.481  1006.44   56.464  385.378   6.2195  385.216   10.816 0.1621094 12.47711 
1 1 1    2    8   15 o  145.360   5.0370  147.194   8.4543  151.018   9.7536  135.642   16.954  149.278   4.8215  141.442   8.8452 7.835907 10.07393 
1 1 1    2    8   16 o  952.172   12.505  6151.10  161.359  6151.10  161.359   0.0000   0.0000  952.172   12.505  ?   ?       ?      ? 
1 1 1    2    8   17 o  551.275   7.8975  2060.24   58.999  2060.24   58.999   0.0000   0.0000  551.275   7.8975  ?   ?       ?      ? 
1 1 1    2    8   18 o  739.188   10.039  3729.34   87.381  3750.84  101.227  3666.51  173.087  743.706   10.044  734.670   17.386 9.036194 20.07848 
1 1 1    2    8   19 o  634.095   7.6364  2725.12   65.593  2654.67   91.242  2800.48   94.362  625.622   10.762  642.568   10.837 -16.94653 15.27279 
1 1 1    2    8   20 o  422.011   5.7042  1207.38   32.621  1205.00   45.979  1209.79   46.287  421.593   8.0479  422.429   8.0859 -0.8360596 11.40833 
1 1 1    2    8   21 o  420.506   8.0941  1198.82   46.124   0.0000   0.0000  1198.82   46.124  ?   ?   420.506   8.0941      ?      ? 
1 1 1    2    8   22 o  448.213   5.9516  1361.63   36.143  1396.16   51.637  1328.46   50.605  453.783   8.3971  442.643   8.4364 11.13971 11.90317 
1 1 1    2    8   23 o  393.106   5.4783  1047.12   29.176  1022.40   40.696  1073.27   41.850  388.335   7.7332  397.878   7.7618 -9.542816 10.95664 
1 1 1    2    8   24 o  455.342   6.0065  1405.89   37.063  1406.61   52.287  1405.15   52.544  455.461   8.4714  455.223   8.5175 0.2379456 12.01302 
1 1 1    2    8   25 o  399.504   5.5412  1082.13   29.998  1082.48   42.318  1081.78   42.531  399.569   7.8153  399.439   7.8574 0.1301880 11.08230 
1 1 1    2    8   26 o  496.961   6.3712  1674.79   42.905  1697.77   60.956  1652.23   60.400  500.340   8.9902  493.583   9.0302 6.756989 12.74235 
1 1 1    2    8   27 o  323.489   4.9760  709.403   21.810  726.632   30.990  692.494   30.701  327.382   6.9852  319.597   7.0888 7.785736 9.952055 
1 1 1    2    8   28 o  772.939   9.0221  4056.27   94.501  4054.22  133.477  4058.33  133.812  772.744   12.746  773.133   12.772 -0.3887329 18.04424 
1 1 1    2    8   30 o  236.587   5.4165  370.615   16.339  354.326   19.773  405.676   29.009  228.614   6.3825  244.559   8.7531 -15.94518 10.83297 
1 1 1    2    8   31 o  313.758   6.9818  667.867   29.681  651.718   41.729  684.403   42.227  309.917   9.9359  317.599   9.8113 -7.682159 13.96365 
1 1 1    2    8   32 o  426.696   7.1260  1238.32   38.901  1227.18   67.029  1243.97   47.769  425.136   11.635  428.255   8.2312 -3.119598 14.25190 
1 1 1    2    8   33 o  271.051   4.6936  497.897   17.236  485.912   24.046  510.560   24.718  267.698   6.6284  274.403   6.6472 -6.705139 9.387240 
1 1 1    2    8   34 o  230.882   4.5082  361.254   14.100  354.314   19.630  368.651   20.267  228.593   6.3368  233.170   6.4140 -4.576706 9.016371 
1 1 1    2    8   35 o  521.488   6.6239  1845.76   46.810  1851.48   66.132  1840.03   66.268  522.299   9.3435  520.677   9.3918 1.621948 13.24789 
1 1 1    2    8   36 f  107.567   4.9352   78.855   7.1521   87.821   10.051   69.660   10.179  113.797   6.5179  101.337   7.4123 12.45953 9.870450 
1 1 1    2    8   37 o  418.929   8.1760  1190.94   46.416   0.0000   0.0000  1190.94   46.416  ?   ?   418.929   8.1760      ?      ? 
1 1 1    2    8   38 o  145.694   5.5833  137.287   10.369  125.535   12.454  163.836   18.718  136.039   6.7554  155.349   8.8915 -19.31030 11.16670 
1 1 1    2    8   39 o  146.329   6.4597  143.257   12.699  120.883   16.912  172.183   19.230  133.414   9.3544  159.243   8.9111 -25.82899 12.91942 
1 1 1    2    8   40 o  486.164   6.3345  1604.99   41.731  1626.78   59.367  1583.70   58.671  489.427   8.9510  482.901   8.9657 6.525970 12.66905 
1 1 1    2    8   41 o  402.308   5.6241  1098.02   30.650  1069.18   42.643  1128.85   44.084  396.849   7.9293  407.767   7.9778 -10.91849 11.24812 
1 1 1    2    8   42 o  290.123   4.8312  569.739   18.969  534.945   26.106  608.655   27.610  280.761   6.8616  299.484   6.8031 -18.72302 9.662497 
1 1 1    2    8   43 o  265.420   4.6975  478.021   16.894  474.172   23.671  482.018   24.119  264.334   6.6081  266.507   6.6783 -2.173340 9.395014 
1 1 1    2    8   44 o  257.479   6.5709  449.939   22.927  449.939   22.927   0.0000   0.0000  257.479   6.5709  ?   ?       ?      ? 
1 1 1    2    8   45 o  197.311   4.4667  264.116   11.941  257.863   16.707  270.646   17.073  194.924   6.3249  199.698   6.3089 -4.774002 8.933477 
1 1 1    2    8   46 o   88.821   5.2915   53.562   6.3672   51.788   8.9142   55.409   9.0979   87.319   7.5334   90.323   7.4330 -3.003845 10.58302 
1 1 1    2    8   47 o  312.670   4.9857  663.885   21.124  661.242   29.698  666.591   30.052  312.043   7.0231  313.297   7.0784 -1.253906 9.971379 
1 1 1    2    8   48 o  250.789   4.6555  426.942   15.820  420.171   22.150  433.991   22.601  248.761   6.5707  252.817   6.5969 -4.056030 9.310963 
1 1 1    2    8   49 o  313.079   6.1664  675.766   24.793  637.650   41.827  696.412   30.784  305.975   10.088  320.183   7.0949 -14.20746 12.33280 
1 1 1    2    8   50 o  254.532   5.7060  436.167   18.552  453.490   32.438  427.747   22.616  258.107   9.2741  250.956   6.6503 7.150681 11.41202 
1 1 1    2    8   51 o  182.595   5.3978  221.246   12.671  210.374   15.452  243.564   22.139  175.995   6.4791  189.194   8.6352 -13.19934 10.79558 
1 1 1    2    8   52 o  128.699   5.5902  103.967   9.2951   85.561   11.254  143.475   16.488  112.188   7.4025  145.210   8.3788 -33.02231 11.18036 
1 1 1    2    8   53 o  603.513   7.4743  2484.98   61.124  2521.25   87.007  2449.64   85.889  607.863   10.562  599.163   10.578 8.700562 14.94867 
1 1 1    2    8   54 o   65.606   7.5343   30.519   6.2927   20.049   8.7822   41.565   9.0211   53.077   12.429   78.135   8.5199 -25.05816 15.06866 
1 1 1    2    8   55 o  137.113   5.8743  126.335   10.248  123.284   12.433  132.801   18.102  134.672   6.8126  139.555   9.5718 -4.882675 11.74865 
1 1 1    2    8   56 o  213.231   5.7099  309.034   15.494  308.074   18.893  311.004   27.075  212.899   6.5487  213.563   9.3555 -0.6639099 11.41973 
1 1 1    2    8   57 o  202.591   4.6250  278.867   12.693  289.178   18.155  269.008   17.753  206.257   6.4955  198.925   6.5857 7.332123 9.249993 
1 1 1    2    8   58 o  111.997   6.7454   89.656   9.3400   75.141   16.332   96.711   11.386  104.758   11.504  119.235   7.0464 -14.47758 13.49081 
1 1 1    2    8   59 o  158.618   4.7903  171.170   10.291  164.363   14.531  178.020   14.577  155.443   6.8982  161.794   6.6484 -6.351791 9.580547 
1 1 1    2    8   60 o  122.146   5.0535  101.533   8.3646  102.193   11.874  100.883   11.785  122.539   7.1506  121.752   7.1428 0.7874451 10.10698 
1 1 1    2    8   61 o  259.053   4.8432  456.558   17.000  465.900   24.219  447.482   23.869  261.668   6.8300  256.438   6.8688 5.230499 9.686493 
1 1 1    2    8   62 o  146.647   4.8715  146.353   9.6801  148.696   13.798  144.083   13.584  147.803   6.8887  145.492   6.8900 2.310623 9.743002 
1 1 1    2    8   63 o   79.736   6.4118   43.479   6.9127   47.128   9.8291   39.908   9.7240   83.073   8.7311   76.399   9.3923 6.674240 12.82370 
1 1 1    2    8   64 o  146.505   4.9152  146.210   9.7582  147.039   13.826  145.388   13.774  146.919   6.9445  146.091   6.9577 0.8285065 9.830314 
1 1 1    2    8   65 o  166.341   5.8903  190.376   12.549  184.917   21.446  193.219   15.475  164.281   9.6331  168.401   6.7811 -4.119614 11.78053 
1 1 1    2    8   66 o  109.749   6.5819   82.178   9.2436   83.696   16.013   81.420   11.320  110.303   10.713  109.196   7.6501 1.107620 13.16385 
1 1 1    2    8   67 o   95.907   5.9176   63.099   7.6199   52.521   10.616   74.341   10.944   87.527   8.9502  104.287   7.7438 -16.75964 11.83523 
1 1 1    2    8   68 o  139.727   5.0978  133.304   9.6450  126.076   13.456  140.942   13.832  135.817   7.3111  143.636   7.1061 -7.818436 10.19555 
1 1 1    2    8   69 o  185.170   6.9118  235.400   17.307  256.775   25.354  216.751   23.682  193.036   9.6922  177.304   9.8565 15.73215 13.82355 
1 1 1    2    8   70 o  103.808   8.8136   75.435   12.365   69.463   17.526   81.353   17.448   99.574   12.989  108.041   11.917 -8.467041 17.62712 
1 1 1    2    8   71 o  202.395   5.9873  281.624   15.373  280.905   18.705  283.120   26.985  202.561   6.8144  202.229   9.8467 0.3327026 11.97470 
1 1 1    2    8   72 o  211.764   4.7994  307.285   13.771  299.733   19.344  315.044   19.608  209.112   6.8262  214.415   6.7484 -5.302444 9.598860 
1 1 1    2    8   73 o   59.644   7.9624   25.565   6.2488   19.864   8.7591   31.474   8.9172   52.022   12.566   67.266   9.7826 -15.24371 15.92487 
1 1 1    2    8   74 o   62.952   9.2723   28.235   7.3401   32.538   12.645   26.047   9.0143   66.030   14.526   59.873   11.528 6.156391 18.54465 
1 1 1    2    8   75 o  133.763   5.0842  123.305   9.1850  110.151   12.775  137.380   13.215  126.293   7.4648  141.234   6.9047 -14.94120 10.16843 
1 1 1    2    8   76 o   75.301   6.6422   39.794   6.6919   32.138   9.2891   48.054   9.6488   67.549   10.148   83.052   8.5732 -15.50268 13.28443 
1 1 1    2    8   77 o   51.674   8.0779   19.244   6.0788   6.9047   8.3335   33.276   8.8865   34.585   13.041   68.763   9.5367 -34.17797 16.15582 
1 1 1    2    8   78 o   29.852   8.0581   1.1209   5.4853   10.673   7.5600  -9.4985   7.9713   38.580   12.585   21.124   10.067 17.45604 16.11615 
1 1 1    2    8   79 o  127.090   6.2556  114.071   10.342  113.102   17.139  114.626   12.969  125.951   10.041  128.229   7.4633 -2.278450 12.51119 
1 1 1    2    8   80 o  126.467   6.4841  115.864   10.472  105.688   17.587  121.455   13.035  121.018   10.724  131.916   7.2918 -10.89771 12.96815 
1 1 1    2    8   81 o   80.710   7.7462   46.121   8.1580   52.127   13.808   42.900   10.112   84.018   12.128   77.403   9.6400 6.614403 15.49233 
1 1 1    2    8   82 o   94.297   7.4684   67.292   8.9345   54.989   14.578   74.693   11.307   85.789   12.540  102.806   8.1160 -17.01660 14.93686 
1 1 1    2    8   83 o   45.265   15.307   16.031   11.161   16.031   11.161   0.0000   0.0000   45.265   15.307  ?   ?       ?      ? 
1 1 1    2    8   84 o   62.925   14.517   31.885   12.127   31.885   12.127   0.0000   0.0000   62.925   14.517  ?   ?       ?      ? 
1 1 1    2    8   85 o   46.313   11.427   17.407   8.9333   20.075   11.602   13.521   14.000   49.342   15.543   43.285   16.756 6.057011 22.85470 
1 1 1    2    8   86 f   76.536   10.333   45.201   10.357   32.648   13.383   63.945   16.353   62.240   15.830   90.832   13.286 -28.59225 20.66662 
1 1 1    2    8   87 o   43.935   11.466   14.383   9.0856   9.2190   11.967   21.410   13.960   38.140   15.266   49.730   17.113 -11.59008 22.93298 
1 1 1    2    8   88 o   49.096   17.260   21.283   14.237   0.0000   0.0000   21.283   14.237  ?   ?    49.096   17.260      ?      ? 
1 1 1    2    8   89 o   73.188   11.261   46.339   10.837   42.340   14.772   50.998   15.946   69.588   16.000   76.787   15.850 -7.199425 22.52111 
1 1 1    2    8   90 o   59.754   10.968   30.983   10.253   12.081   13.910   53.473   15.173   40.172   16.324   79.336   14.653 -39.16449 21.93554 
1 1 1    2    8   91 o   39.279   11.325   11.388   9.6580   6.6518   13.518   16.326   13.803   35.672   15.380   42.887   16.628 -7.215012 22.64987 
1 1 1    2    8   92 o   36.877   11.025   8.8098   9.6761   14.113   13.661   3.4711   13.707   40.383   16.259   33.371   14.893 7.011765 22.04912 
1 1 1    2    8   93 f   49.633   11.943   25.169   10.355   14.228   14.516   36.508   14.777   39.786   16.475   59.480   17.296 -19.69459 23.88676 
1 1 1    2    8   94 o   64.621   12.212   44.889   11.414   32.465   16.053   57.594   16.233   52.570   18.336   76.673   16.134 -24.10382 24.42409 
1 1 1    2    9    0 o  332.486   5.0334  749.426   22.676  754.684   31.870  744.036   32.270  333.669   7.0484  331.304   7.1877 2.365021 10.06687 
1 1 1    2    9    1 o   91.487   4.8243   56.875   5.9519   58.314   8.0881   55.175   8.7901   92.754   6.4347   90.220   7.1897 2.534409 9.648666 
1 1 1    2    9    2 o  278.272   4.6546  524.829   17.548  523.271   24.524  526.463   25.119  277.849   6.5133  278.694   6.6511 -0.8439941 9.309170 
1 1 1    2    9    3 o  302.196   4.8292  619.141   19.771  635.849   27.946  602.400   27.974  306.280   6.7332  298.112   6.9246 8.167908 9.658422 
1 1 1    2    9    4 o  1233.77   13.781 10339.77  230.326 10098.67  320.400 10597.62  331.337  1218.91   19.397  1248.62   19.582 -29.71130 27.56263 
1 1 1    2    9    5 o  409.866   5.6350  1138.90   31.297  1150.97   44.221  1126.79   44.299  412.042   7.9196  407.689   8.0183 4.353210 11.27007 
1 1 1    2    9    6 o  644.583   7.7514  2817.93   67.706  2805.52   95.257  2830.59   96.252  643.151   10.930  646.014   10.995 -2.862366 15.50288 
1 1 1    2    9    7 o  701.476   8.3096  3337.68   78.985  3313.80  110.955  3362.21  112.465  698.935   11.715  704.016   11.788 -5.081787 16.61912 
1 1 1    2    9    8 o  939.577   10.717  5992.75  136.451  5949.50  191.849  6037.02  194.113  936.151   15.123  943.003   15.190 -6.852539 21.43447 
1 1 1    2    9    9 o  356.354   5.2282  860.487   25.240  847.494   35.177  874.274   36.237  353.584   7.3414  359.125   7.4460 -5.540863 10.45650 
1 1 1    2    9   10 o  725.826   10.518  3610.14   98.062  3685.72  121.440  3468.51  166.240  737.075   12.158  714.579   17.167 22.49591 21.03663 
1 1 1    2    9   11 o  1083.64   14.098  7970.13  207.025  7970.13  207.025   0.0000   0.0000  1083.64   14.098  ?   ?       ?      ? 
1 1 1    2    9   12 o  409.769   6.4818  1138.13   35.993  1138.13   35.993   0.0000   0.0000  409.769   6.4818  ?   ?       ?      ? 
1 1 1    2    9   13 o  512.773   8.0159  1784.75   52.399  1787.02   64.060  1780.17   91.088  513.364   9.2083  512.182   13.124 1.181702 16.03186 
1 1 1    2    9   14 o  790.018   10.647  4250.31   98.767  4263.27  114.179  4211.78  196.851  792.821   10.627  787.215   18.453 5.605591 21.29431 
1 1 1    2    9   15 o  1217.50   15.760 10059.33  224.447 10029.91  258.630 10149.11  451.734  1215.29   15.704  1219.70   27.330 -4.410889 31.52092 
1 1 1    2    9   16 o  367.619   6.1807  923.233   26.613  930.150   30.760  902.643   53.072  370.445   6.1275  364.793   10.736 5.651947 12.36140 
1 1 1    2    9   17 o  313.802   5.6786  660.114   20.744  653.091   23.798  682.331   42.330  310.415   5.6573  317.188   9.8480 -6.772858 11.35725 
1 1 1    2    9   18 o  160.887   5.1942  172.624   10.727  166.894   13.101  184.283   18.687  156.914   6.1610  164.859   8.3644 -7.945343 10.38846 
1 1 1    2    9   19 o  431.733   6.7398  1261.26   34.078  1258.44   39.290  1269.85   68.471  430.861   6.7292  432.605   11.680 -1.744476 13.47960 
1 1 1    2    9   20 o  306.019   5.6493  634.737   20.268  634.512   23.390  635.415   40.605  305.963   5.6412  306.074   9.7896 -0.1116638 11.29869 
1 1 1    2    9   21 o  347.386   5.9394  805.231   24.085  792.910   27.637  844.142   49.112  342.018   5.9629  352.755   10.274 -10.73734 11.87886 
1 1 1    2    9   22 o  267.272   4.6446  483.778   16.806  514.975   24.152  454.491   23.400  275.620   6.4663  258.924   6.6691 16.69516 9.289204 
1 1 1    2    9   23 o  500.989   6.4117  1700.56   43.507  1768.16   62.698  1637.79   60.420  510.581   9.0617  491.397   9.0733 19.18463 12.82339 
1 1 1    2    9   24 o  201.973   4.3823  276.308   11.989  266.717   16.688  286.538   17.236  198.354   6.2086  205.592   6.1866 -7.238495 8.764699 
1 1 1    2    9   25 o  420.649   5.7265  1199.99   32.643  1201.22   46.087  1198.75   46.241  420.867   8.0807  420.431   8.1162 0.4352722 11.45291 
1 1 1    2    9   26 o  145.779   5.3768  144.729   10.086  146.109   12.477  142.124   17.135  146.806   6.2716  144.753   8.7353 2.052948 10.75352 
1 1 1    2    9   27 o  189.075   6.2356  242.109   15.962  251.716   23.185  233.451   22.009  192.633   8.8817  185.516   8.7547 7.117508 12.47114 
1 1 1    2    9   28 o  296.998   6.8921  597.742   27.720  625.703   40.027  571.973   38.426  303.664   9.7271  290.331   9.7668 13.33237 13.78424 
1 1 1    2    9   29 o  139.492   4.6012  131.941   8.6959  132.444   12.187  131.419   12.412  139.764   6.4343  139.220   6.5791 0.5439606 9.202450 
1 1 1    2    9   30 f  790.593   9.2217  4247.17   98.792  4209.03  138.798  4286.34  140.646  787.001   13.014  794.186   13.068 -7.184814 18.44340 
1 1 1    2    9   31 o  456.554   6.0756  1413.09   37.573  1465.82   54.018  1363.66   52.298  464.800   8.5760  448.309   8.6084 16.49142 12.15126 
1 1 1    2    9   32 o  354.652   7.4669  853.183   35.886   0.0000   0.0000  853.183   35.886  ?   ?   354.652   7.4669      ?      ? 
1 1 1    2    9   33 o  385.645   5.4931  1007.24   28.682  962.500   39.598  1056.61   41.600  376.653   7.7580  394.637   7.7788 -17.98340 10.98615 
1 1 1    2    9   34 o  508.266   7.9772  1740.33   51.477  1712.66   62.433  1799.07   90.973  502.267   9.1727  514.266   13.054 -11.99966 15.95444 
1 1 1    2    9   35 o  411.805   7.0160  1163.52   37.004  1188.67   45.698  1115.64   63.065  418.505   8.0578  405.105   11.488 13.39990 14.03202 
1 1 1    2    9   36 o  280.274   5.8410  541.031   21.108  507.143   35.255  559.966   26.354  273.248   9.5210  287.300   6.7690 -14.05191 11.68198 
1 1 1    2    9   37 o  497.827   7.8643  1680.71   50.091  1699.08   86.713  1671.51   61.366  499.572   12.809  496.082   9.1283 3.489532 15.72862 
1 1 1    2    9   38 o  248.709   5.7066  428.279   18.289  391.931   30.372  448.957   22.908  240.182   9.3316  257.237   6.5715 -17.05551 11.41328 
1 1 1    2    9   39 o  553.010   6.9436  2078.36   52.030  2114.74   74.193  2043.16   72.986  557.771   9.8158  548.249   9.8238 9.521790 13.88729 
1 1 1    2    9   40 o  142.607   4.5580  137.938   8.8056  133.145   12.323  142.939   12.587  140.075   6.4920  145.139   6.3997 -5.063507 9.116030 
1 1 1    2    9   41 o  238.445   4.5877  385.633   14.819  373.045   20.698  398.872   21.227  234.453   6.5147  242.436   6.4612 -7.983398 9.175403 
1 1 1    2    9   42 o  133.695   4.6643  121.262   8.4485  118.011   11.803  124.679   12.098  131.858   6.6055  135.532   6.5872 -3.674484 9.328659 
1 1 1    2    9   43 o  290.929   4.8655  574.634   19.182  572.424   27.056  576.867   27.199  290.367   6.8760  291.491   6.8858 -1.123871 9.731037 
1 1 1    2    9   44 o  324.841   5.0818  716.650   22.370  721.141   31.606  712.142   31.665  325.863   7.1574  323.818   7.2161 2.045532 10.16366 
1 1 1    2    9   45 o  159.916   4.5200  173.604   9.7944  173.079   13.753  174.143   13.952  159.673   6.3560  160.160   6.4284 -0.4865417 9.040029 
1 1 1    2    9   46 o  323.942   5.1214  712.434   22.475  734.331   32.254  691.768   31.335  328.777   7.2394  319.106   7.2461 9.671326 10.24283 
1 1 1    2    9   47 o  259.619   5.7782  455.903   19.162  465.467   33.360  451.193   23.410  261.491   9.4143  257.746   6.7022 3.745270 11.55638 
1 1 1    2    9   48 o  391.519   5.5882  1042.13   29.648  1032.12   41.704  1052.36   42.157  389.619   7.8986  393.419   7.9073 -3.800110 11.17650 
1 1 1    2    9   49 f  204.596   4.5583  284.274   12.636  276.872   17.763  291.856   17.978  201.897   6.4925  207.296   6.3998 -5.398529 9.116509 
1 1 1    2    9   50 o  297.923   6.1013  613.804   23.326  635.961   28.985  573.085   39.294  305.907   6.9920  289.940   10.001 15.96783 12.20258 
1 1 1    2    9   51 o  153.548   5.6185  158.605   11.089  154.877   13.592  166.023   19.174  150.974   6.6434  156.122   9.0629 -5.148087 11.23708 
1 1 1    2    9   52 o   98.098   5.4845   65.852   7.2375   74.283   10.171   57.205   10.301  104.524   7.1809   91.673   8.2917 12.85177 10.96894 
1 1 1    2    9   53 o   98.427   7.2811   71.656   8.5868   80.155   10.396   53.406   15.233  108.575   7.0656   88.279   12.733 20.29585 14.56229 
1 1 1    2    9   54 o  190.586   4.6195  246.885   11.930  246.964   16.803  246.805   16.942  190.619   6.5050  190.552   6.5609 0.6658936E-01 9.239040 
1 1 1    2    9   55 o  188.187   4.6693  240.694   11.901  229.457   16.684  252.332   16.980  183.708   6.7018  192.667   6.5035 -8.958649 9.338622 
1 1 1    2    9   56 o  281.127   4.9519  537.589   18.864  538.779   26.798  536.420   26.560  281.432   7.0266  280.823   6.9794 0.6095276 9.903812 
1 1 1    2    9   57 o  226.676   5.9784  356.371   17.211  332.069   29.577  368.812   21.162  220.482   9.8991  232.870   6.7060 -12.38821 11.95675 
1 1 1    2    9   58 o  210.133   5.9083  308.578   15.697  279.090   26.975  323.675   19.301  202.104   9.8494  218.161   6.5286 -16.05630 11.81662 
1 1 1    2    9   59 o   92.196   5.7965   57.842   7.2350   61.332   10.474   54.657   10.006   94.855   8.1480   89.538   8.2467 5.316795 11.59299 
1 1 1    2    9   60 o  143.400   4.8900  140.174   9.4875  132.237   13.497  147.927   13.339  139.359   7.1467  147.440   6.6763 -8.081619 9.780016 
1 1 1    2    9   61 o   60.491   8.2298   25.956   6.4870   25.940   9.5189   25.969   8.8642   60.394   12.053   60.589   11.209 -0.1946373 16.45955 
1 1 1    2    9   62 o   99.744   5.8493   68.829   7.7711   54.973   11.087   82.210   10.895   89.662   9.1249  109.826   7.3208 -20.16360 11.69861 
1 1 1    2    9   63 o  178.936   5.7560  210.545   13.165  242.981   23.484  195.680   15.898  188.417   9.1976  169.454   6.9232 18.96205 11.51197 
1 1 1    2    9   64 o  109.333   5.5482   81.597   8.2139   86.246   11.766   77.177   11.472  112.383   7.7255  106.284   7.9654 6.099243 11.09644 
1 1 1    2    9   65 o  128.258   6.1722  110.794   10.401  105.338   13.047  120.308   17.228  124.146   7.7550  132.370   9.6042 -8.223366 12.34431 
1 1 1    2    9   66 o  105.609   7.0853   80.500   9.3352   66.382   15.947   87.860   11.514   97.854   12.026  113.364   7.4951 -15.51007 14.17052 
1 1 1    2    9   67 o  134.971   5.1192  124.549   9.3600  120.088   13.134  129.152   13.342  132.503   7.3147  137.439   7.1636 -4.935974 10.23831 
1 1 1    2    9   68 o  154.414   7.0712  163.143   14.797  163.143   14.797   0.0000   0.0000  154.414   7.0712  ?   ?       ?      ? 
1 1 1    2    9   69 f   59.006   12.017   25.148   9.2824   25.148   9.2824   0.0000   0.0000   59.006   12.017  ?   ?       ?      ? 
1 1 1    2    9   70 o  151.523   4.9706  157.285   10.190  145.296   14.194  170.035   14.638  145.527   7.1976  157.519   6.8574 -11.99228 9.941258 
1 1 1    2    9   71 f   62.640   7.7759   27.886   6.4524   26.458   9.1877   29.275   9.0637   60.472   11.634   64.809   10.320 -4.337673 15.55179 
1 1 1    2    9   72 o   39.988   9.3177   11.039   5.8606   11.922   8.3774   10.193   8.2016   41.159   13.233   38.816   13.121 2.342937 18.63550 
1 1 1    2    9   73 f   29.607   8.6915  -0.7654   6.6791 -20.6369   12.338   7.4711   7.9436   24.090   11.734   35.123   12.825 -11.03248 17.38293 
1 1 1    2    9   74 o  104.346   8.4636   77.057   11.841   93.816   17.522   62.969   16.064  115.018   11.242   93.674   12.655 21.34367 16.92718 
1 1 1    2    9   75 o   87.813   6.1284   53.914   7.2832   55.809   10.176   51.923   10.429   89.479   8.3922   86.147   8.9332 3.331337 12.25689 
1 1 1    2    9   76 o  109.997   6.5730   82.480   9.4572   95.535   16.004   75.475   11.723  116.064   10.175  103.931   8.3237 12.13328 13.14600 
1 1 1    2    9   77 o   72.272   8.5398   38.396   7.8442   38.509   12.916   38.330   9.8737   71.106   13.902   73.438   9.9214 -2.331985 17.07953 
1 1 1    2    9   78 o  158.477   6.1356  179.656   12.555  168.046   20.794  186.317   15.750  153.361   10.005  163.593   7.1045 -10.23183 12.27119 
1 1 1    2    9   79 o  113.151   6.6202   89.809   9.7736   96.597   16.397   86.068   12.172  115.728   10.456  110.574   8.1233 5.153206 13.24035 
1 1 1    2    9   80 f   63.226   9.4758   30.896   7.6815   31.379   12.466   30.599   9.7532   62.741   14.886   63.710   11.729 -0.9693146 18.95161 
1 1 1    2    9   81 o   42.688   11.062   11.938   8.5903   5.8220   11.414   19.927   13.046   35.739   14.685   49.637   16.549 -13.89808 22.12453 
1 1 1    2    9   82 o   61.161   11.324   30.845   9.4351   29.634   12.532   32.429   14.336   60.207   15.322   62.115   16.679 -1.908367 22.64831 
1 1 1    2    9   83 o   77.280   12.312   45.068   12.894   45.068   12.894   0.0000   0.0000   77.280   12.312  ?   ?       ?      ? 
1 1 1    2    9   84 o   37.648   14.590   9.2524   10.624   9.2524   10.624   0.0000   0.0000   37.648   14.590  ?   ?       ?      ? 
1 1 1    2    9   85 f   44.573   11.500   15.509   8.8643   13.866   11.366   18.059   14.162   42.311   15.357   46.834   17.121 -4.522251 22.99909 
1 1 1    2    9   86 o   48.215   11.703   19.524   9.1987   16.336   12.216   23.698   13.979   44.637   15.957   51.792   17.124 -7.155308 23.40627 
1 1 1    2    9   87 f   37.049   10.814   7.2239   8.7662   3.4312   11.493   12.500   13.555   32.944   14.193   41.153   16.320 -8.209019 21.62831 
1 1 1    2    9   88 o   37.420   15.758   8.0246   13.617   0.0000   0.0000   8.0246   13.617  ?   ?    37.420   15.758      ?      ? 
1 1 1    2    9   89 o   45.425   11.892   18.772   9.7466   20.256   13.381   17.095   14.226   46.870   16.706   43.979   16.928 2.891109 23.78314 
1 1 1    2    9   90 o   61.162   11.621   35.896   10.576   21.915   14.876   50.186   15.039   47.223   17.498   75.101   15.297 -27.87814 23.24205 
1 1 1    2    9   91 o   41.198   11.664   15.420   9.9141   13.613   14.130   17.171   13.913   39.838   16.350   42.559   16.640 -2.721684 23.32849 
1 1 1    2    9   92 o   40.114   11.490   14.993   9.8072   11.602   13.976   18.282   13.765   37.622   15.910   42.606   16.581 -4.984779 22.97939 
1 1 1    2   10    0 o  573.830   10.109  2233.23   78.611   0.0000   0.0000  2233.23   78.611  ?   ?   573.830   10.109      ?      ? 
1 1 1    2   10    1 o  411.431   8.0127  1145.89   44.626  1090.53   61.456  1207.63   64.908  400.943   11.311  421.920   11.352 -20.97681 16.02541 
1 1 1    2   10    2 o  360.380   7.4358  880.161   36.298  854.546   50.453  907.645   52.262  354.950   10.489  365.810   10.543 -10.85974 14.87168 
1 1 1    2   10    3 o  320.467   7.0638  696.084   30.658  730.454   43.906  663.379   42.829  328.186   9.8724  312.749   10.106 15.43790 14.12753 
1 1 1    2   10    4 o  771.471   12.773  4042.52  133.491  3947.86  185.726  4143.69  191.999  762.146   17.983  780.797   18.146 -18.65118 25.54699 
1 1 1    2   10    5 o  307.252   5.9928  634.810   23.692  656.791   40.777  623.609   29.109  311.202   9.6692  303.302   7.0823 7.900116 11.98555 
1 1 1    2   10    6 f  123.070   4.7405  101.922   7.8679   89.166   10.669  117.127   11.649  114.689   6.8649  131.450   6.5395 -16.76092 9.481091 
1 1 1    2   10    7 o  333.039   5.0859  751.917   22.949  752.469   32.173  751.345   32.746  333.165   7.1260  332.913   7.2584 0.2519531 10.17176 
1 1 1    2   10    8 o  609.797   7.4473  2522.35   61.540  2522.39   86.699  2522.31   87.366  609.805   10.492  609.790   10.573 0.1501465E-01 14.89468 
1 1 1    2   10    9 o  558.582   6.9713  2116.16   52.767  2143.22   74.805  2089.35   74.445  562.139   9.8198  555.025   9.8978 7.113403 13.94261 
1 1 1    2   10   10 o  512.318   6.5533  1780.05   45.496  1795.02   64.305  1765.04   64.376  514.478   9.2235  510.158   9.3118 4.319275 13.10660 
1 1 1    2   10   11 o  279.754   5.8701  530.457   20.775  530.080   25.204  531.256   36.692  279.635   6.6512  279.872   9.6744 -0.2368164 11.74020 
1 1 1    2   10   12 o  363.379   6.1664  900.150   26.188  904.808   30.219  886.097   52.485  365.354   6.1035  361.404   10.717 3.949677 12.33285 
1 1 1    2   10   13 f  566.060   8.1449  2167.51   53.864  2160.92   62.017  2187.73  108.678  564.526   8.1067  567.594   14.129 -3.067932 16.28979 
1 1 1    2   10   14 o  210.543   5.0840  291.187   12.503  282.583   14.305  319.038   25.735  204.188   5.1697  216.897   8.7557 -12.70958 10.16798 
1 1 1    2   10   15 o  188.550   5.1284  242.128   11.337  243.229   13.100  238.845   22.627  189.437   5.1028  187.663   8.8975 1.773529 10.25688 
1 1 1    2   10   16 o  296.239   5.5980  587.001   19.355  579.378   22.220  610.982   39.409  292.362   5.6084  300.116   9.6900 -7.753937 11.19601 
1 1 1    2   10   17 o  815.430   10.937  4451.97  103.416  4391.00  118.351  4648.83  212.668  804.420   10.857  826.441   18.989 -22.02045 21.87383 
1 1 1    2   10   18 o  414.849   7.0181  1169.67   37.155  1173.81   45.497  1161.40   64.377  416.042   8.0697  413.657   11.484 2.385315 14.03611 
1 1 1    2   10   19 o  640.234   9.5243  2797.55   78.098  2825.80   96.149  2742.78  133.890  645.268   10.996  635.201   15.554 10.06689 19.04857 
1 1 1    2   10   20 o  829.666   11.790  4660.74  124.420  4620.97  151.434  4743.36  218.265  824.784   13.549  834.549   19.300 -9.765198 23.58065 
1 1 1    2   10   21 o  575.274   8.7481  2243.58   64.140  2236.55   78.314  2257.90  111.786  574.118   10.066  576.430   14.311 -2.311829 17.49625 
1 1 1    2   10   22 o  357.621   7.5103  866.706   36.369  826.380   50.363  910.651   52.575  348.939   10.651  366.303   10.592 -17.36331 15.02066 
1 1 1    2   10   23 o  535.842   9.6050  1950.93   69.743  1936.79   98.135  1965.35   99.136  533.883   13.564  537.801   13.603 -3.917664 19.20994 
1 1 1    2   10   24 o  385.125   6.7499  1001.93   33.257  992.844   40.700  1020.19   57.694  382.601   7.8499  387.649   10.983 -5.047546 13.49972 
1 1 1    2   10   25 o  437.606   5.9072  1299.09   35.030  1298.61   49.366  1299.58   49.715  437.526   8.3261  437.686   8.3819 -0.1603088 11.81434 
1 1 1    2   10   26 o  516.248   6.6044  1807.16   46.184  1872.61   66.411  1745.86   64.268  525.294   9.3295  507.203   9.3505 18.09097 13.20870 
1 1 1    2   10   27 o  256.018   4.6719  444.492   16.208  445.300   22.868  443.677   22.977  256.252   6.5852  255.783   6.6288 0.4688873 9.343771 
1 1 1    2   10   28 o  612.511   10.604  2547.94   88.018   0.0000   0.0000  2547.94   88.018  ?   ?   612.511   10.604      ?      ? 
1 1 1    2   10   29 o  125.950   4.6884  107.590   8.0019  107.909   11.296  107.270   11.336  126.137   6.6087  125.762   6.6519 0.3747864 9.376703 
1 1 1    2   10   30 o  228.272   4.5425  353.332   14.050  348.044   19.688  358.820   20.056  226.533   6.4134  230.012   6.4346 -3.479401 9.084909 
1 1 1    2   10   31 o  222.654   5.5424  338.460   15.748  342.583   19.328  330.316   27.165  224.743   6.3462  220.566   9.0883 4.177612 11.08475 
1 1 1    2   10   32 o   68.514   8.1424   34.172   6.6771   36.901   8.0953   28.363   11.809   73.732   8.1019   63.295   14.126 10.43739 16.28475 
1 1 1    2   10   33 o   88.714   6.3014   54.402   7.2796   49.792   11.809   57.228   9.2453   85.597   10.180   91.830   7.4294 -6.233109 12.60290 
1 1 1    2   10   34 o  267.861   5.7720  496.774   19.954  454.089   33.015  521.336   25.045  258.526   9.4239  277.196   6.6673 -18.66995 11.54396 
1 1 1    2   10   35 o  100.076   5.9854   67.486   7.8030   69.927   13.073   66.136   9.7254  101.439   9.5101   98.712   7.2703 2.727539 11.97076 
1 1 1    2   10   36 o   87.006   5.4669   51.711   6.3597   41.587   8.9061   62.244   9.0845   78.248   8.3990   95.765   7.0002 -17.51690 10.93377 
1 1 1    2   10   37 o  314.884   5.0072  672.792   21.362  691.998   30.531  654.374   29.899  319.286   7.0562  310.481   7.1062 8.805176 10.01443 
1 1 1    2   10   38 o  237.402   4.6062  382.435   14.817  375.213   20.811  389.860   21.102  235.128   6.5313  239.676   6.4971 -4.547379 9.212458 
1 1 1    2   10   39 o   91.848   5.3065   57.249   6.5976   61.124   9.4625   53.583   9.2036   94.875   7.3599   88.821   7.6464 6.053291 10.61299 
1 1 1    2   10   40 o  401.979   5.6571  1097.77   30.815  1113.04   43.801  1082.81   43.360  404.749   7.9857  399.210   8.0150 5.539459 11.31422 
1 1 1    2   10   41 o  248.372   4.6729  418.635   15.724  405.209   22.008  432.634   22.472  244.303   6.6477  252.441   6.5690 -8.138138 9.345771 
1 1 1    2   10   42 o  177.630   4.5235  214.206   10.889  214.103   15.387  214.310   15.411  177.588   6.3936  177.673   6.4008 -0.8525085E-01 9.047065 
1 1 1    2   10   43 o  301.037   6.0679  610.053   23.258  634.461   40.930  598.413   28.264  305.257   9.8944  296.817   7.0269 8.439911 12.13577 
1 1 1    2   10   44 o  343.198   6.4683  809.053   28.439  778.237   48.472  825.229   35.119  337.913   10.585  348.482   7.4366 -10.56946 12.93654 
1 1 1    2   10   45 o  211.921   4.5803  304.927   13.151  296.923   18.450  313.194   18.752  209.092   6.5113  214.750   6.4435 -5.658051 9.160552 
1 1 1    2   10   46 o  320.991   5.0984  700.226   22.177  698.410   31.286  702.060   31.440  320.574   7.2018  321.408   7.2185 -0.8343811 10.19674 
1 1 1    2   10   47 o  129.721   4.7790  114.338   8.4002  114.818   11.817  113.849   11.943  129.998   6.7081  129.443   6.8086 0.5549622 9.558004 
1 1 1    2   10   48 o  225.665   4.6104  345.982   14.099  346.241   19.880  345.719   19.997  225.752   6.4984  225.578   6.5417 0.1741791 9.220761 
1 1 1    2   10   49 o  225.217   5.6177  334.403   16.118  315.337   19.443  376.285   28.817  215.414   6.6606  235.021   9.0481 -19.60739 11.23531 
1 1 1    2   10   50 o  115.114   7.2041   90.109   11.238   90.109   11.238   0.0000   0.0000  115.114   7.2041  ?   ?       ?      ? 
1 1 1    2   10   51 o  146.907   4.7172  146.659   9.3794  136.926   13.128  156.808   13.406  141.918   6.8261  151.895   6.5126 -9.977081 9.434499 
1 1 1    2   10   52 f  173.586   4.6557  204.831   10.952  205.139   15.474  204.523   15.502  173.717   6.5730  173.454   6.5952 0.2626038 9.311363 
1 1 1    2   10   53 o  191.561   4.6488  249.494   12.067  245.130   17.058  253.865   17.071  189.879   6.6293  193.243   6.5190 -3.364487 9.297619 
1 1 1    2   10   54 o  130.961   5.0565  116.587   8.9602  125.828   12.872  107.899   12.481  136.004   6.9839  125.918   7.3142 10.08600 10.11296 
1 1 1    2   10   55 o  133.407   7.2178  121.121   13.049  121.121   13.049   0.0000   0.0000  133.407   7.2178  ?   ?       ?      ? 
1 1 1    2   10   56 o  131.236   6.3178  120.486   10.356  109.626   18.230  125.661   12.584  126.569   10.629  135.904   6.8331 -9.334869 12.63560 
1 1 1    2   10   57 o  162.972   5.9215  181.965   12.199  178.789   21.457  183.481   14.829  161.724   9.7907  164.221   6.6633 -2.496918 11.84305 
1 1 1    2   10   58 o  125.456   5.1498  107.565   8.7211   97.800   12.433  117.023   12.236  119.797   7.6587  131.115   6.8867 -11.31758 10.29964 
1 1 1    2   10   59 o  347.455   5.3815  822.837   25.337  831.711   36.114  814.236   35.555  349.294   7.6296  345.616   7.5915 3.678589 10.76303 
1 1 1    2   10   60 o  182.490   5.8434  221.893   13.570  243.268   24.179  212.064   16.396  188.535   9.4638  176.446   6.8570 12.08832 11.68685 
1 1 1    2   10   61 o   80.806   12.371   45.067   13.547   0.0000   0.0000   45.067   13.547  ?   ?    80.806   12.371      ?      ? 
1 1 1    2   10   62 o  110.513   6.6984   80.510   9.3989   92.983   16.992   75.011   11.282  116.248   10.786  104.777   7.9457 11.47060 13.39688 
1 1 1    2   10   63 f  176.918   4.8388  213.630   11.595  207.056   16.456  220.111   16.341  174.191   6.9715  179.645   6.7123 -5.453888 9.677622 
1 1 1    2   10   64 o  299.401   5.1525  612.541   20.905  617.472   29.720  607.712   29.410  300.590   7.2960  298.211   7.2775 2.378693 10.30505 
1 1 1    2   10   65 o   47.592   9.5836   16.236   6.5998   12.212   9.4435   20.078   9.2274   42.549   14.075   52.634   13.011 -10.08460 19.16723 
1 1 1    2   10   66 o  122.130   6.6120  101.879   10.304  100.085   12.561  105.568   18.016  120.839   7.6710  123.420   10.772 -2.581276 13.22405 
1 1 1    2   10   67 o   87.364   8.9116   62.511   8.8052   80.098   11.124   33.008   14.408  108.049   7.5974   66.678   16.123 41.37045 17.82316 
1 1 1    2   10   68 o  108.728   6.7909   83.960   9.4170   88.736   11.717   75.246   15.827  113.648   7.6077  103.808   11.251 9.840195 13.58174 
1 1 1    2   10   69 o   68.541   7.6177   33.794   6.7177   42.632   9.5219   25.035   9.4787   78.484   8.9527   58.597   12.327 19.88703 15.23534 
1 1 1    2   10   70 o  178.574   4.8428  218.775   11.698  201.163   16.247  237.737   16.858  171.062   7.0086  186.085   6.6850 -15.02214 9.685535 
1 1 1    2   10   71 o   34.223   9.0524   5.8742   5.8888   1.5122   8.2356   10.438   8.4235   29.272   12.287   39.175   13.297 -9.903086 18.10485 
1 1 1    2   10   72 o   74.430   6.5942   38.720   6.6506   38.394   9.3387   39.055   9.4737   74.119   9.2976   74.740   9.3536 -0.6211777 13.18845 
1 1 1    2   10   73 o  164.700   6.1429  194.151   12.858  174.357   21.749  204.787   15.942  157.156   10.212  172.243   6.8301 -15.08762 12.28577 
1 1 1    2   10   74 o   35.751   9.5954   1.6515   6.7741   17.023   11.846  -5.8174   8.2574   47.815   15.761   23.688   10.948 24.12755 19.19085 
1 1 1    2   10   75 o   44.167   10.181   14.723   7.0856   10.114   11.835   17.298   8.8463   40.602   15.485   47.731   13.222 -7.128704 20.36175 
1 1 1    2   10   76 o  160.130   6.2423  182.988   12.709  174.603   21.835  187.284   15.629  156.154   10.318  164.106   7.0280 -7.952332 12.48452 
1 1 1    2   10   77 f   78.228   8.4704   46.090   8.2680   42.688   13.737   48.023   10.353   74.299   14.160   82.158   9.2992 -7.858536 16.94084 
1 1 1    2   10   78 o   70.121   10.675   39.175   9.8092   40.429   13.255   37.656   14.585   72.055   14.079   68.187   16.051 3.867340 21.35093 
1 1 1    2   10   79 o   93.950   8.7481   64.634   10.981   51.707   14.584   81.558   16.686   82.857   12.989  105.043   11.722 -22.18655 17.49612 
1 1 1    2   10   80 o   55.886   11.291   26.110   9.2397   32.013   12.630   19.313   13.553   62.906   15.023   48.866   16.859 14.03988 22.58136 
1 1 1    2   10   81 o   41.137   10.733   11.900   8.3135   17.249   11.020   4.8375   12.664   46.391   15.198   35.884   15.158 10.50781 21.46508 
1 1 1    2   10   82 o   45.558   11.524   15.971   8.7740   13.936   11.057   19.433   14.418   42.593   15.186   48.523   17.337 -5.929771 23.04707 
1 1 1    2   10   83 o  123.997   10.402  113.393   17.479  113.393   17.479   0.0000   0.0000  123.997   10.402  ?   ?       ?      ? 
1 1 1    2   10   84 o   44.821   11.536   16.245   9.0111   16.041   11.836   16.527   13.898   44.435   15.726   45.207   16.882 -0.7714806 23.07119 
1 1 1    2   10   85 o   44.745   10.866   13.085   8.9378   0.9161   11.768   29.675   13.740   31.657   13.981   57.834   16.638 -26.17719 21.73279 
1 1 1    2   10   86 o   36.567   10.650   5.1809   8.8135  -2.7345   11.526   16.325   13.676   29.021   13.235   44.113   16.688 -15.09199 21.29978 
1 1 1    2   10   87 o   31.373   9.9276  -1.6948   8.9667  -9.7532   12.375   7.2136   13.011   26.501   12.605   36.245   15.341 -9.743971 19.85528 
1 1 1    2   10   88 o   30.393   13.845  -1.1774   12.567   0.0000   0.0000  -1.1774   12.567  ?   ?    30.393   13.845      ?      ? 
1 1 1    2   10   89 o   48.530   11.198   20.455   9.7475   5.5807   13.325   37.577   14.296   34.428   15.051   62.632   16.583 -28.20420 22.39501 
1 1 1    2   10   90 o   29.490   9.5974  -2.7786   9.0629 -10.2341   12.839   4.6252   12.795   26.009   12.497   32.970   14.569 -6.960985 19.19482 
1 1 1    2   10   91 o   32.050   10.192   3.4843   9.3409   6.3808   12.786   0.1687   13.679   33.442   14.679   30.658   14.143 2.783869 20.38353 
1 1 1    2   11    0 o  487.032   6.3615  1608.85   41.982  1613.23   59.058  1604.38   59.691  487.705   8.9360  486.359   9.0566 1.345825 12.72297 
1 1 1    2   11    1 o  1038.44   11.776  7325.25  165.630  7133.11  229.779  7533.06  238.962  1024.30   16.554  1052.58   16.753 -28.28125 23.55194 
1 1 1    2   11    2 o  478.410   6.3113  1552.02   40.911  1587.90   58.281  1517.16   57.443  483.862   8.8884  472.957   8.9625 10.90421 12.62261 
1 1 1    2   11    3 o  347.408   7.3790  819.056   34.732  834.332   48.970  803.594   49.269  350.674   10.305  344.142   10.565 6.531982 14.75803 
1 1 1    2   11    4 o  260.285   5.7342  446.590   18.844  425.691   22.587  494.450   34.181  250.582   6.6517  269.988   9.3424 -19.40649 11.46844 
1 1 1    2   11    5 o  592.850   7.3200  2383.61   58.794  2453.33   84.142  2317.09   82.186  601.320   10.326  584.380   10.378 16.93933 14.64003 
1 1 1    2   11    6 o  338.662   5.1918  774.123   23.772  722.398   32.335  834.957   35.067  326.408   7.3103  350.915   7.3741 -24.50714 10.38351 
1 1 1    2   11    7 o  419.569   5.7913  1193.88   32.926  1198.87   46.353  1188.81   46.777  420.455   8.1354  418.683   8.2446 1.772339 11.58262 
1 1 1    2   11    8 o  136.950   4.7558  127.287   8.8157  130.583   12.276  123.777   12.668  138.785   6.5271  135.115   6.9186 3.669708 9.511620 
1 1 1    2   11    9 o  730.891   8.6545  3623.46   85.671  3524.58  118.768  3730.72  123.697  720.515   12.164  741.267   12.314 -20.75275 17.30894 
1 1 1    2   11   10 o  696.241   8.3246  3290.67   78.541  3322.66  111.363  3259.00  110.788  699.611   11.746  692.871   11.799 6.740662 16.64930 
1 1 1    2   11   11 o  895.597   10.315  5450.03  125.180  5527.21  178.236  5374.90  175.851  901.855   14.584  889.340   14.591 12.51447 20.63005 
1 1 1    2   11   12 o  354.112   6.1735  858.580   25.572  866.617   29.552  834.627   51.017  357.539   6.0993  350.685   10.735 6.853516 12.34708 
1 1 1    2   11   13 o  527.378   7.7791  1886.00   47.940  1884.27   55.232  1891.28   96.534  527.119   7.7321  527.637   13.501 -0.5177002 15.55827 
1 1 1    2   11   14 o  730.323   10.012  3635.50   85.830  3646.46   99.209  3602.89  171.135  733.060   9.9869  727.586   17.357 5.473877 20.02501 
1 1 1    2   11   15 o  256.209   5.4341  438.086   16.178  431.582   18.524  458.988   33.208  252.324   5.4175  260.094   9.4217 -7.770203 10.86824 
1 1 1    2   11   16 o  324.688   5.9131  718.847   22.441  722.551   25.897  707.677   44.966  326.468   5.8536  322.909   10.276 3.559357 11.82624 
1 1 1    2   11   17 o  203.401   5.6615  284.182   14.764  292.072   18.282  269.387   25.034  207.548   6.5001  199.254   9.2714 8.293884 11.32302 
1 1 1    2   11   18 o  527.067   8.2492  1880.31   55.391  1868.19   67.551  1905.18   96.775  524.688   9.5005  529.445   13.488 -4.757263 16.49840 
1 1 1    2   11   19 o  453.211   7.0529  1388.81   37.396  1383.57   43.079  1404.85   75.332  451.682   7.0379  454.740   12.225 -3.057709 14.10580 
1 1 1    2   11   20 o  364.771   6.2504  909.149   26.712  915.469   30.875  890.340   53.263  367.443   6.2006  362.099   10.855 5.344818 12.50086 
1 1 1    2   11   21 o  135.031   5.2916  117.232   8.5347  110.665   9.8254  137.420   17.226  127.759   5.6751  142.302   8.9330 -14.54248 10.58329 
1 1 1    2   11   22 o  326.885   5.8709  716.196   22.420  707.781   25.758  742.499   45.537  323.087   5.8832  330.683   10.162 -7.596771 11.74189 
1 1 1    2   11   23 o  347.085   6.0571  814.654   24.603  811.827   28.347  823.286   49.529  346.006   6.0457  348.163   10.498 -2.156860 12.11415 
1 1 1    2   11   24 o  421.396   6.7251  1211.03   33.300  1216.50   38.525  1194.88   66.224  423.503   6.7127  419.289   11.655 4.213470 13.45014 
1 1 1    2   11   25 o  502.556   7.5021  1694.63   43.885  1674.76   50.335  1757.62   89.605  496.830   7.4762  508.283   13.009 -11.45245 15.00428 
1 1 1    2   11   26 o  418.331   6.6800  1187.10   37.869  1187.10   37.869   0.0000   0.0000  418.331   6.6800  ?   ?       ?      ? 
1 1 1    2   11   27 o  162.281   5.3343  178.574   11.731  178.574   11.731   0.0000   0.0000  162.281   5.3343  ?   ?       ?      ? 
1 1 1    2   11   28 o  326.559   7.1849  722.311   31.710  801.341   46.192  651.873   43.609  343.420   9.9257  309.699   10.391 33.72043 14.36978 
1 1 1    2   11   29 o  215.962   5.5111  321.027   15.331  301.916   25.684  331.604   19.108  210.834   8.9896  221.090   6.3777 -10.25597 11.02214 
1 1 1    2   11   30 o  151.144   5.4851  158.916   10.692  141.796   17.587  168.954   13.467  144.478   8.9829  157.810   6.2971 -13.33212 10.97024 
1 1 1    2   11   31 o  275.022   6.7641  513.278   25.209   0.0000   0.0000  513.278   25.209  ?   ?   275.022   6.7641      ?      ? 
1 1 1    2   11   32 o  372.278   5.4187  940.944   27.336  936.017   38.461  945.972   38.859  371.295   7.6440  373.260   7.6823 -1.965332 10.83737 
1 1 1    2   11   33 o  306.461   4.9551  637.528   20.578  639.092   29.034  635.950   29.170  306.841   6.9825  306.082   7.0327 0.7589722 9.910274 
1 1 1    2   11   34 o  152.616   6.4148  158.069   13.267   0.0000   0.0000  158.069   13.267  ?   ?   152.616   6.4148      ?      ? 
1 1 1    2   11   35 o  362.487   5.3525  892.386   26.292  895.060   37.170  889.708   37.196  363.032   7.5556  361.941   7.5836 1.090179 10.70506 
1 1 1    2   11   36 o  288.004   4.8693  563.134   19.004  556.935   26.785  569.417   26.966  286.407   6.9012  289.601   6.8713 -3.194031 9.738685 
1 1 1    2   11   37 o  278.392   4.8380  526.234   18.251  528.819   25.806  523.648   25.817  279.077   6.8235  277.706   6.8603 1.371063 9.675951 
1 1 1    2   11   39 f  209.070   4.5765  296.662   12.959  283.436   18.149  310.421   18.511  204.312   6.5551  213.828   6.3883 -9.516220 9.153081 
1 1 1    2   11   40 o  159.255   5.8453  175.600   11.655  164.051   20.593  181.044   14.138  155.219   9.7903  163.290   6.3891 -8.071167 11.69060 
1 1 1    2   11   41 o  188.083   5.6635  243.058   13.523  233.151   23.453  247.991   16.551  185.065   9.3517  191.102   6.3912 -6.037399 11.32705 
1 1 1    2   11   42 o  194.645   4.5371  257.284   11.967  261.516   16.995  253.124   16.853  196.234   6.3910  193.056   6.4418 3.177490 9.074167 
1 1 1    2   11   44 o  177.639   4.5726  214.360   11.007  214.282   15.627  214.436   15.506  177.605   6.4929  177.673   6.4403 -0.6748962E-01 9.145217 
1 1 1    2   11   45 o  152.619   4.6514  158.256   9.6180  153.862   13.549  162.719   13.655  150.480   6.6445  154.759   6.5110 -4.279129 9.302833 
1 1 1    2   11   46 o  233.830   5.7732  377.148   17.224  387.694   21.229  356.832   29.464  238.861   6.5585  228.798   9.5029 10.06363 11.54641 
1 1 1    2   11   47 o  108.818   7.3296   80.532   10.809   80.532   10.809   0.0000   0.0000  108.818   7.3296  ?   ?       ?      ? 
1 1 1    2   11   48 o  176.076   5.6702  212.807   12.773  216.543   15.740  205.603   21.856  178.497   6.5073  173.655   9.2876 4.842148 11.34040 
1 1 1    2   11   49 o  125.917   4.9349  107.886   8.4155  104.674   11.979  111.016   11.826  124.056   7.1253  127.778   6.8294 -3.722847 9.869711 
1 1 1    2   11   50 o   74.043   6.4649   37.286   6.4660   41.716   9.3940   33.297   8.9136   78.226   8.8617   69.861   9.4153 8.365387 12.92973 
1 1 1    2   11   51 o  166.041   4.8234  187.596   10.828  171.321   15.188  204.417   15.441  158.692   7.0624  173.390   6.5714 -14.69843 9.646816 
1 1 1    2   11   52 o  205.232   4.7464  286.438   13.199  291.990   18.771  281.007   18.564  207.202   6.6850  203.262   6.7397 3.940552 9.492752 
1 1 1    2   11   53 o  229.167   4.7780  357.245   14.837  351.168   20.910  363.406   21.056  227.200   6.7914  231.135   6.7226 -3.934509 9.555981 
1 1 1    2   11   54 o   82.755   8.9575   52.866   8.4942   36.700   15.101   60.348   10.274   71.413   16.001   94.096   8.0568 -22.68315 17.91497 
1 1 1    2   11   55 o  276.870   6.1684  524.849   21.690  518.418   37.860  527.990   26.463  275.248   10.150  278.492   7.0120 -3.244049 12.33674 
1 1 1    2   11   56 o  202.010   4.8598  278.012   13.295  268.731   18.909  287.086   18.697  198.652   7.0241  205.368   6.7182 -6.715958 9.719696 
1 1 1    2   11   57 o  240.973   9.6285  397.422   31.442   0.0000   0.0000  397.422   31.442  ?   ?   240.973   9.6285      ?      ? 
1 1 1    2   11   58 o  186.640   6.0380  235.163   14.138  245.686   25.596  230.543   16.961  189.320   9.9770  183.961   6.8035 5.359268 12.07592 
1 1 1    2   11   59 o  139.735   5.0817  132.968   9.6145  138.152   13.951  128.278   13.269  142.319   7.2337  137.151   7.1391 5.168610 10.16334 
1 1 1    2   11   60 o  195.638   4.8402  260.278   12.814  278.417   18.690  244.189   17.602  202.055   6.8257  189.221   6.8645 12.83417 9.680469 
1 1 1    2   11   61 f  105.852   5.6478   76.434   8.0887   82.366   11.786   71.152   11.121  109.731   7.9259  101.973   8.0481 7.758186 11.29565 
1 1 1    2   11   62 o  152.902   4.9664  159.735   10.284  159.187   14.799  160.247   14.301  152.624   7.1550  153.179   6.8895 -0.5550385 9.932780 
1 1 1    2   11   63 o   60.778   9.2622   30.662   7.8426   43.636   9.9141   8.9673   12.820   79.634   9.1870   41.922   16.086 37.71162 18.52448 
1 1 1    2   11   64 o  116.424   5.5263   92.916   8.6955  102.415   12.494   83.992   12.109  122.240   7.5424  110.607   8.0790 11.63272 11.05255 
1 1 1    2   11   65 o  185.563   4.8602  235.971   12.211  226.237   17.355  245.513   17.183  181.721   7.0477  189.406   6.6946 -7.685150 9.720485 
1 1 1    2   11   66 o   43.053   10.200   12.652   6.9264   13.159   8.8759   11.863   11.077   43.175   13.594   42.931   15.211 0.2436104 20.39980 
1 1 1    2   11   67 o   80.981   8.0375   48.408   8.0422   53.245   10.145   40.226   13.193   87.779   8.5285   74.183   13.626 13.59581 16.07499 
1 1 1    2   11   68 o   43.833   9.0016   13.910   5.9388   8.2287   8.6285   19.024   8.1863   36.750   13.374   50.916   12.052 -14.16567 18.00316 
1 1 1    2   11   69 o   64.728   7.6465   29.724   6.5361   33.878   9.6031   26.139   8.9214   69.515   10.194   59.941   11.400 9.574242 15.29306 
1 1 1    2   11   70 o   54.945   8.5665   22.153   6.2367   27.744   9.1383   17.278   8.5328   61.694   11.349   48.197   12.835 13.49702 17.13295 
1 1 1    2   11   71 o   83.009   7.6235   47.525   8.1004   53.114   14.280   44.874   9.8361   85.960   12.259   80.058   9.0664 5.901749 15.24704 
1 1 1    2   11   72 o  207.932   6.8850  299.134   19.400   0.0000   0.0000  299.134   19.400  ?   ?   207.932   6.8850      ?      ? 
1 1 1    2   11   73 o   38.412   13.082   10.367   8.1529   0.0000   0.0000   10.367   8.1529  ?   ?    38.412   13.082      ?      ? 
1 1 1    2   11   74 o   62.306   9.8952   29.199   7.6683   31.987   13.843   27.965   9.2106   63.317   16.098   61.296   11.511 2.020927 19.79032 
1 1 1    2   11   75 o   41.326   10.298   11.591   6.8668   15.155   11.843   9.7855   8.4282   45.088   15.748   37.565   13.273 7.523487 20.59540 
1 1 1    2   11   76 o   69.254   10.696   38.550   9.7183   41.799   13.024   34.467   14.598   73.650   13.548   64.858   16.554 8.792061 21.39104 
1 1 1    2   11   77 o   65.807   11.213   35.211   9.7927   34.950   12.848   35.572   15.128   66.274   14.691   65.341   16.943 0.9329300 22.42516 
1 1 1    2   11   78 o   61.759   11.234   31.706   9.4812   34.340   12.724   28.418   14.216   65.449   14.705   58.069   16.987 7.379784 22.46816 
1 1 1    2   11   79 o   85.532   9.5375   55.686   10.730   47.481   14.234   66.484   16.331   77.534   14.066   93.531   12.884 -15.99651 19.07494 
1 1 1    2   11   80 o   75.232   10.524   45.007   10.214   41.106   13.227   50.768   16.075   71.785   14.100   78.679   15.628 -6.893677 21.04861 
1 1 1    2   11   81 o   35.263   10.516   5.0463   8.3202   4.7037   10.390   5.6587   13.892   33.370   13.888   37.157   15.795 -3.787033 21.03214 
1 1 1    2   11   82 f   50.957   15.649   22.016   11.846   22.016   11.846   0.0000   0.0000   50.957   15.649  ?   ?       ?      ? 
1 1 1    2   11   83 o   40.208   15.112   12.213   11.172   12.213   11.172   0.0000   0.0000   40.208   15.112  ?   ?       ?      ? 
1 1 1    2   11   84 o   42.224   11.336   14.200   8.8320   13.988   11.378   14.522   14.009   41.672   15.329   42.775   16.704 -1.102493 22.67181 
1 1 1    2   11   85 o   47.979   11.718   19.465   9.4000   12.486   12.232   29.530   14.690   40.085   15.622   55.873   17.471 -15.78830 23.43668 
1 1 1    2   11   86 o   37.610   10.808   7.5087   9.1751  -1.9840   12.456   18.770   13.567   29.949   13.697   45.270   16.723 -15.32080 21.61676 
1 1 1    2   11   87 o   42.102   16.430   15.892   13.544   0.0000   0.0000   15.892   13.544  ?   ?    42.102   16.430      ?      ? 
1 1 1    2   11   88 f   49.443   11.716   23.995   10.171   11.787   14.321   36.421   14.449   38.452   16.175   60.434   16.954 -21.98223 23.43191 
1 1 1    2   11   89 o   40.560   11.325   15.204   9.5467   8.2447   13.470   22.227   13.532   35.143   15.252   45.976   16.746 -10.83269 22.65058 
1 1 1    2   12    0 o  668.412   8.0607  3033.33   73.006  3008.87  102.368  3058.65  104.147  665.677   11.348  671.147   11.451 -5.470764 16.12148 
1 1 1    2   12    1 o  226.502   4.6557  347.503   14.276  340.201   19.682  355.610   20.738  223.996   6.4841  229.008   6.6825 -5.011780 9.311299 
1 1 1    2   12    2 o  126.440   4.9463  108.702   8.4400  112.097   11.534  104.788   12.383  128.577   6.6195  124.304   7.3515 4.273010 9.892526 
1 1 1    2   12    3 o  310.298   5.0570  650.660   21.223  616.016   28.941  690.968   31.217  301.395   7.0859  319.200   7.2168 -17.80457 10.11397 
1 1 1    2   12    4 o  310.522   6.2104  652.382   24.381  649.189   29.532  659.216   43.205  309.405   7.0434  311.639   10.231 -2.234741 12.42073 
1 1 1    2   12    5 o  323.835   6.3480  719.645   26.109  735.481   31.979  687.990   45.213  329.320   7.1658  318.350   10.480 10.96945 12.69594 
1 1 1    2   12    6 f  208.054   5.7095  292.125   14.924  289.651   17.965  297.635   26.812  206.683   6.4140  209.425   9.4475 -2.741348 11.41906 
1 1 1    2   12    7 o  436.704   7.3284  1276.53   40.386  1246.14   48.623  1344.12   72.519  428.586   8.3719  444.823   12.031 -16.23700 14.65678 
1 1 1    2   12    8 o  256.724   6.9162  444.799   23.962  420.991   32.165  474.490   35.919  249.060   9.5301  264.389   10.025 -15.32906 13.83231 
1 1 1    2   12    9 o  401.893   8.0167  1095.69   43.661  1095.69   43.661   0.0000   0.0000  401.893   8.0167  ?   ?       ?      ? 
1 1 1    2   12   10 o  410.931   8.1908  1147.25   45.605  1163.86   64.259  1130.40   64.733  413.940   11.456  407.922   11.710 6.018005 16.38170 
1 1 1    2   12   11 o  409.708   8.1644  1139.01   45.296  1108.07   62.605  1173.00   65.618  403.886   11.438  415.531   11.653 -11.64456 16.32874 
1 1 1    2   12   12 o  192.817   6.6163  252.089   17.271  246.821   23.813  257.936   25.087  190.699   9.2148  194.935   9.4967 -4.236633 13.23258 
1 1 1    2   12   13 o  332.275   6.4139  751.330   27.026  755.021   32.907  743.683   47.368  333.632   7.2785  330.919   10.563 2.712952 12.82771 
1 1 1    2   12   14 o  423.530   7.1734  1194.91   38.253  1157.40   45.891  1280.31   69.247  413.005   8.1995  434.055   11.773 -21.05035 14.34672 
1 1 1    2   12   15 o  199.445   5.6413  264.280   14.232  254.800   17.124  285.445   25.588  193.830   6.5195  205.060   9.2083 -11.23021 11.28253 
1 1 1    2   12   16 o  139.290   5.9052  134.854   10.362  140.859   12.680  122.783   17.977  144.115   6.4927  134.466   9.8656 9.648621 11.81042 
1 1 1    2   12   17 o  416.983   7.1327  1177.74   37.809  1171.75   46.029  1190.18   66.294  415.527   8.1742  418.439   11.691 -2.911774 14.26550 
1 1 1    2   12   18 o  309.688   6.1896  644.858   24.308  633.797   29.440  668.552   43.089  305.654   7.1077  313.723   10.135 -8.068359 12.37920 
1 1 1    2   12   19 o  284.241   6.0245  549.291   21.802  550.934   26.633  545.953   37.959  284.977   6.8964  283.505   9.8802 1.471893 12.04902 
1 1 1    2   12   20 o  426.135   7.2262  1235.51   39.258  1238.82   48.019  1228.83   68.174  427.200   8.2946  425.070   11.835 2.129608 14.45240 
1 1 1    2   12   22 o  559.589   9.9704  2127.85   75.608  2127.85   75.608   0.0000   0.0000  559.589   9.9704  ?   ?       ?      ? 
1 1 1    2   12   23 o  536.311   8.4492  1948.92   57.441  1933.71   69.708  1981.08  101.390  533.469   9.6425  539.153   13.877 -5.683655 16.89831 
1 1 1    2   12   24 o  333.042   6.0147  748.417   23.383  743.774   26.892  762.808   47.344  331.129   5.9929  334.954   10.430 -3.824707 12.02941 
1 1 1    2   12   25 o  208.727   5.2700  290.888   12.840  286.321   14.733  305.317   26.186  205.471   5.2913  211.984   9.1156 -6.513748 10.54004 
1 1 1    2   12   26 o  156.255   5.4685  172.906   9.9651  180.503   11.610  151.654   19.419  163.139   5.2518  149.370   9.5937 13.76958 10.93707 
1 1 1    2   12   27 o  266.661   5.5156  476.776   17.169  471.003   19.717  494.884   34.917  263.510   5.5215  269.813   9.5498 -6.303192 11.03116 
1 1 1    2   12   28 o  112.920   5.7909   87.347   7.6906   88.106   8.9111   85.132   15.225  113.960   5.7702  111.879   10.042 2.081520 11.58189 
1 1 1    2   12   29 o  138.382   5.4341  129.588   8.9072  129.101   10.326  131.005   17.607  137.952   5.5236  138.811   9.3600 -0.8583374 10.86830 
1 1 1    2   12   30 o  300.189   5.8169  615.764   20.429  619.251   23.591  605.307   40.850  302.109   5.7623  298.270   10.106 3.838959 11.63381 
1 1 1    2   12   31 o  147.176   5.4666  150.709   9.5218  154.698   11.121  139.758   18.428  151.006   5.4348  143.346   9.4867 7.660141 10.93320 
1 1 1    2   12   32 f  145.333   5.7200  143.428   10.579  143.239   12.904  143.814   18.474  145.259   6.5554  145.406   9.3755 -0.1472015 11.43997 
1 1 1    2   12   33 o  231.326   4.6273  363.250   14.505  359.772   20.365  366.831   20.664  230.203   6.5280  232.449   6.5599 -2.245178 9.254590 
1 1 1    2   12   34 o  398.467   5.6587  1078.58   30.547  1113.57   43.723  1045.21   42.695  404.783   7.9708  392.152   8.0342 12.63147 11.31731 
1 1 1    2   12   35 o  356.406   5.3411  863.146   25.796  867.148   36.451  859.132   36.511  357.237   7.5296  355.575   7.5773 1.661377 10.68226 
1 1 1    2   12   36 o  145.895   5.7811  138.647   10.655  161.439   19.494  128.937   12.724  154.008   9.3405  137.781   6.8147 16.22762 11.56220 
1 1 1    2   12   37 o  220.630   5.7424  334.385   16.115  321.043   27.850  341.101   19.759  217.147   9.4642  224.113   6.5060 -6.966385 11.48478 
1 1 1    2   12   38 o  342.653   5.2530  797.910   24.390  812.729   34.700  783.441   34.288  345.801   7.4049  339.506   7.4526 6.294708 10.50594 
1 1 1    2   12   39 f  103.634   5.1884   72.878   7.2667   80.733   10.500   65.657   10.067  108.995   7.1091   98.274   7.5591 10.72070 10.37688 
1 1 1    2   12   40 o  143.517   4.7172  139.869   9.1692  146.509   13.115  133.520   12.825  146.852   6.5901  140.182   6.7511 6.669769 9.434311 
1 1 1    2   12   41 o  212.783   4.6247  307.481   13.331  319.098   19.052  296.337   18.660  216.724   6.4870  208.842   6.5933 7.881546 9.249495 
1 1 1    2   12   42 o  367.045   5.4632  916.283   27.171  933.048   38.677  899.946   38.179  370.363   7.7063  363.727   7.7458 6.636353 10.92632 
1 1 1    2   12   43 o  234.950   5.8316  380.375   17.522  390.268   21.636  361.517   29.871  239.633   6.6625  230.266   9.5729 9.366501 11.66316 
1 1 1    2   12   44 o  139.940   6.8421  133.131   12.975  133.131   12.975   0.0000   0.0000  139.940   6.8421  ?   ?       ?      ? 
1 1 1    2   12   45 o  152.498   5.7881  157.285   11.341  155.046   13.927  161.695   19.541  151.013   6.8053  153.983   9.3646 -2.970306 11.57623 
1 1 1    2   12   46 o  180.888   4.6866  222.370   11.480  210.964   16.079  234.231   16.396  176.148   6.7359  185.628   6.5180 -9.479889 9.373206 
1 1 1    2   12   47 o   93.062   5.7932   59.279   7.2690   53.671   10.436   64.562   10.130   88.737   8.6789   97.388   7.6760 -8.651123 11.58636 
1 1 1    2   12   48 o  263.907   4.9119  473.320   17.558  493.434   25.253  454.499   24.428  269.333   6.9189  258.480   6.9739 10.85233 9.823807 
1 1 1    2   12   49 o  125.398   5.1644  107.187   8.7625  102.637   12.555  111.507   12.235  122.781   7.5458  128.015   7.0528 -5.233917 10.32871 
1 1 1    2   12   50 o  232.628   4.7851  368.137   15.084  369.604   21.414  366.693   21.252  233.086   6.7796  232.170   6.7548 0.9163208 9.570271 
1 1 1    2   12   51 o   61.391   8.0063   27.236   6.3580   17.513   9.0844   36.571   8.9016   49.586   13.262   73.197   8.9741 -23.61182 16.01263 
1 1 1    2   12   52 o  134.476   6.9759  123.787   12.679  112.812   17.822  135.038   18.043  128.385   10.243  140.567   9.4723 -12.18126 13.95182 
1 1 1    2   12   53 f   79.805   9.7303   46.864   9.8429   28.820   14.168   63.696   13.684   63.190   16.402   96.420   10.473 -33.22919 19.46061 
1 1 1    2   12   54 o   79.115   8.9523   44.466   8.2089   42.520   15.734   45.193   9.6223   76.896   15.632   81.334   8.7302 -4.438110 17.90457 
1 1 1    2   12   55 o   60.123   9.8600   21.354   7.3909   40.211   14.312   14.497   8.6308   74.900   14.626   45.347   13.228 29.55313 19.71996 
1 1 1    2   12   56 o  152.939   4.9816  159.367   10.317  162.041   14.931  156.923   14.271  154.152   7.1476  151.725   6.9410 2.426224 9.963237 
1 1 1    2   12   57 o  269.101   4.9834  493.849   18.168  499.526   26.063  488.484   25.339  270.589   7.1078  267.613   6.9870 2.976471 9.966873 
1 1 1    2   12   58 o  237.526   4.8804  385.141   15.695  365.383   22.140  405.099   22.252  231.361   7.0618  243.691   6.7382 -12.33022 9.760721 
1 1 1    2   12   59 o  223.977   4.8446  342.078   14.695  357.446   21.209  327.890   20.379  228.812   6.8401  219.143   6.8625 9.669571 9.689196 
1 1 1    2   12   60 o  148.057   6.1473  150.942   11.732  151.893   14.538  149.166   19.865  149.037   7.1981  147.076   9.9672 1.960754 12.29462 
1 1 1    2   12   61 o  100.559   5.8513   69.406   7.9718   70.746   11.425   68.135   11.129  101.499   8.3061   99.618   8.2438 1.880524 11.70263 
1 1 1    2   12   62 f  157.973   4.9300  170.953   10.546  167.844   15.120  173.898   14.717  156.536   7.1279  159.410   6.8126 -2.872955 9.859909 
1 1 1    2   12   63 o   71.667   7.0784   35.570   6.8685   37.610   9.9222   33.694   9.5174   73.648   9.9418   69.686   10.078 3.961861 14.15682 
1 1 1    2   12   64 o   50.118   8.5884   18.270   6.2714   8.9613   9.0458   26.886   8.7023   38.102   13.719   62.134   10.335 -24.03220 17.17675 
1 1 1    2   12   65 o   92.819   6.9411   57.418   8.4889   49.635   10.597   71.358   14.182   84.558   9.2480  101.081   10.353 -16.52315 13.88222 
1 1 1    2   12   66 o  148.332   5.9567  147.340   11.432  136.328   13.987  169.502   19.841  140.654   7.3381  156.009   9.3851 -15.35527 11.91338 
1 1 1    2   12   67 o   62.761   7.7735   28.736   6.3462   23.806   9.3214   32.995   8.6645   56.765   12.459   68.758   9.2990 -11.99334 15.54699 
1 1 1    2   12   68 o   45.469   9.0638   15.466   5.9156   12.088   8.7584   18.300   8.0219   41.262   13.550   49.676   12.042 -8.414001 18.12754 
1 1 1    2   12   69 o  109.679   6.8620   86.691   9.3708   79.298   16.525   90.195   11.377  105.267   11.585  114.091   7.3584 -8.824158 13.72405 
1 1 1    2   12   70 o   62.957   9.4877   31.664   7.5500   23.357   13.097   35.799   9.2400   54.707   16.382   71.206   9.5757 -16.49984 18.97548 
1 1 1    2   12   71 o   90.903   8.3519   57.946   10.288   0.0000   0.0000   57.946   10.288  ?   ?    90.903   8.3519      ?      ? 
1 1 1    2   12   72 o   74.357   9.4554   39.288   9.5277   0.0000   0.0000   39.288   9.5277  ?   ?    74.357   9.4554      ?      ? 
1 1 1    2   12   73 o  117.496   6.6628   98.818   10.018   97.014   17.113   99.758   12.356  115.681   10.916  119.311   7.6424 -3.629997 13.32558 
1 1 1    2   12   74 o   44.953   10.845   12.160   8.7732   1.1638   11.599   26.865   13.412   32.651   14.161   57.255   16.429 -24.60394 21.69001 
1 1 1    2   12   75 f   44.769   11.155   13.316   8.9641   4.4622   12.051   24.284   13.412   35.330   14.848   54.209   16.652 -18.87897 22.31058 
1 1 1    2   12   76 o  126.037   7.7328  116.309   13.183  107.281   18.144  126.403   19.186  120.733   11.090  131.340   10.779 -10.60716 15.46552 
1 1 1    2   12   77 o   41.842   10.641   7.9874   8.8988  -5.3958   11.816   25.522   13.526   28.705   13.206   54.979   16.690 -26.27402 21.28294 
1 1 1    2   12   78 o   36.857   10.719   6.8614   8.5117   6.2160   11.138   7.7675   13.197   35.430   14.526   38.285   15.767 -2.854397 21.43824 
1 1 1    2   12   79 o   37.527   10.881   7.6365   8.7628   7.0627   11.566   8.4095   13.426   36.323   14.837   38.731   15.921 -2.408440 21.76284 
1 1 1    2   12   80 o   62.995   10.863   31.781   9.6987   17.400   12.691   51.970   15.038   45.919   16.280   80.071   14.387 -34.15218 21.72658 
1 1 1    2   12   81 o   33.712   10.322   1.6460   8.5927  -3.3190   11.004   9.4036   13.755   28.309   12.919   39.115   16.102 -10.80544 20.64359 
1 1 1    2   12   82 o   41.347   15.445   13.589   11.636   13.589   11.636   0.0000   0.0000   41.347   15.445  ?   ?       ?      ? 
1 1 1    2   12   83 o   73.520   10.973   46.762   10.523   45.365   14.025   48.562   15.918   73.129   14.663   73.911   16.328 -0.7825317 21.94559 
1 1 1    2   12   84 o   51.758   11.961   25.172   9.7023   20.936   13.177   30.187   14.339   47.434   16.609   56.082   17.216 -8.648422 23.92194 
1 1 1    2   12   85 o   57.247   11.058   30.928   9.8664   46.283   13.919   15.422   13.987   72.682   14.638   41.812   16.579 30.87019 22.11679 
1 1 1    2   12   86 o   90.816   13.614   70.528   16.754   0.0000   0.0000   70.528   16.754  ?   ?    90.816   13.614      ?      ? 
1 1 1    2   12   87 o   35.407   15.471   8.1208   14.062   0.0000   0.0000   8.1208   14.062  ?   ?    35.407   15.471      ?      ? 
1 1 1    2   13    0 o  152.025   4.7362  156.726   9.7445  155.935   13.425  157.606   14.167  151.624   6.5337  152.426   6.8585 -0.8020020 9.472471 
1 1 1    2   13    1 o  204.371   5.6095  286.025   14.912  274.026   24.579  293.014   18.759  200.902   9.0281  207.841   6.6602 -6.939117 11.21897 
1 1 1    2   13    2 o  114.816   6.1992   90.231   9.3278   86.507   15.106   92.525   11.859  112.856   9.8775  116.775   7.4937 -3.919258 12.39837 
1 1 1    2   13    3 o  278.210   5.9374  523.959   21.406  530.157   36.089  520.594   26.588  279.405   9.5314  277.014   7.0827 2.391205 11.87485 
1 1 1    2   13    4 o  378.383   6.7467  972.762   32.929  970.902   55.882  973.751   40.757  377.973   10.910  378.794   7.9399 -0.8208313 13.49337 
1 1 1    2   13    5 o  213.559   4.6969  309.730   13.575  318.570   18.897  300.303   19.514  216.719   6.4344  210.399   6.8441 6.319748 9.393803 
1 1 1    2   13    6 f  291.420   4.9760  576.415   19.639  585.020   27.440  567.376   28.121  293.658   6.8953  289.182   7.1760 4.476746 9.951910 
1 1 1    2   13    7 o  257.943   4.8083  450.784   16.787  440.387   23.072  462.478   24.470  254.792   6.6820  261.094   6.9160 -6.301468 9.616644 
1 1 1    2   13    8 o  325.048   5.1878  715.687   22.826  692.075   31.382  742.211   33.261  319.371   7.2511  330.726   7.4213 -11.35468 10.37564 
1 1 1    2   13    9 o  229.485   4.7453  357.894   14.731  373.978   20.563  340.937   21.114  234.801   6.4625  224.169   6.9505 10.63194 9.490655 
1 1 1    2   13   10 o  249.689   4.8094  422.615   16.256  415.682   22.405  430.322   23.622  247.534   6.6793  251.844   6.9215 -4.309738 9.618724 
1 1 1    2   13   11 o  406.506   5.7710  1119.90   31.758  1081.78   43.716  1162.51   46.214  399.200   8.0811  413.812   8.2411 -14.61212 11.54209 
1 1 1    2   13   12 o  197.551   5.7404  259.800   14.289  251.430   17.149  278.805   25.841  192.513   6.5735  202.589   9.4128 -10.07578 11.48088 
1 1 1    2   13   13 o  207.693   5.9158  299.607   15.383  311.405   18.701  274.920   27.051  214.249   6.4412  201.136   9.9246 13.11259 11.83163 
1 1 1    2   13   14 o  183.424   6.5138  228.261   16.191  228.261   16.191   0.0000   0.0000  183.424   6.5138  ?   ?       ?      ? 
1 1 1    2   13   15 o  258.299   5.4790  452.488   19.178  452.488   19.178   0.0000   0.0000  258.299   5.4790  ?   ?       ?      ? 
1 1 1    2   13   16 o   94.647   6.3480   60.776   8.1419   60.776   8.1419   0.0000   0.0000   94.647   6.3480  ?   ?       ?      ? 
1 1 1    2   13   17 o  287.793   5.6659  561.797   22.097  561.797   22.097   0.0000   0.0000  287.793   5.6659  ?   ?       ?      ? 
1 1 1    2   13   18 o  345.298   6.1866  816.381   24.926  822.677   28.761  797.387   49.959  348.226   6.0949  342.369   10.768 5.856689 12.37327 
1 1 1    2   13   19 f  158.831   5.5579  174.322   10.203  177.189   11.748  165.516   20.587  161.630   5.3636  156.033   9.7362 5.596756 11.11579 
1 1 1    2   13   20 o  131.593   5.6870  117.953   8.6431  118.268   9.9122  116.952   17.654  132.043   5.5395  131.143   9.9339 0.8995667 11.37407 
1 1 1    2   13   21 o  147.047   5.5605  146.328   9.4254  145.859   10.784  147.847   19.397  146.639   5.4270  147.455   9.7069 -0.8159790 11.12099 
1 1 1    2   13   22 o  220.231   5.4175  330.073   13.966  330.757   16.116  328.010   27.984  220.817   5.3858  219.645   9.4016 1.172241 10.83503 
1 1 1    2   13   23 o  307.011   5.8900  647.744   21.173  655.160   24.497  625.841   42.098  310.744   5.8174  303.279   10.243 7.464752 11.77999 
1 1 1    2   13   24 o  214.061   5.4816  316.408   13.688  321.577   15.829  301.076   27.260  217.724   5.3648  210.397   9.5609 7.327271 10.96318 
1 1 1    2   13   25 o  212.748   5.2974  294.039   13.131  282.099   14.972  333.853   27.339  203.916   5.4179  221.580   9.1048 -17.66403 10.59488 
1 1 1    2   13   26 o  278.091   5.6780  525.004   18.414  524.537   21.195  526.441   37.182  278.040   5.6253  278.141   9.8647 -0.1006165 11.35590 
1 1 1    2   13   27 o  139.177   5.8458  141.977   9.3609  153.142   10.955  111.761   18.021  150.239   5.3807  128.115   10.380 22.12424 11.69160 
1 1 1    2   13   28 o  157.549   5.2802  162.881   9.8669  157.106   11.364  180.572   19.890  152.163   5.5110  162.936   9.0083 -10.77307 10.56030 
1 1 1    2   13   29 o  198.032   5.3166  262.041   12.376  257.708   14.248  275.358   24.980  194.885   5.3949  201.178   9.1630 -6.293259 10.63317 
1 1 1    2   13   30 o  184.559   5.3127  227.496   11.535  223.596   13.284  239.456   23.263  181.524   5.4000  187.593   9.1509 -6.068283 10.62540 
1 1 1    2   13   31 o   30.469   9.1717  -0.0154   6.5579  -0.4815   8.5834   0.6383   10.164   28.746   12.322   32.192   13.589 -3.445963 18.34347 
1 1 1    2   13   32 o  115.758   6.2151   85.220   9.3962   69.574   11.559  115.701   16.134  101.137   8.4337  130.380   9.1315 -29.24270 12.43027 
1 1 1    2   13   33 o   98.372   6.0180   61.403   7.2748   56.009   8.4776   76.472   14.169   90.797   6.8900  105.947   9.8687 -15.14935 12.03590 
1 1 1    2   13   34 o  183.433   5.2753  220.893   11.428  213.222   13.134  244.796   23.185  177.240   5.4685  189.626   9.0227 -12.38574 10.55053 
1 1 1    2   13   35 o  117.689   5.6771   89.933   8.0896   85.106   9.3926  103.800   15.920  111.944   6.1916  123.435   9.5174 -11.49068 11.35417 
1 1 1    2   13   36 o  278.260   6.0614  530.362   21.460  536.877   26.266  517.281   37.216  281.071   6.8960  275.449   9.9703 5.621918 12.12278 
1 1 1    2   13   37 o  175.184   4.6382  208.506   11.008  215.482   15.648  201.672   15.488  178.090   6.4838  172.278   6.6341 5.812469 9.276348 
1 1 1    2   13   38 o  204.100   4.6246  283.060   12.791  281.856   18.076  284.267   18.101  203.664   6.5496  204.535   6.5306 -0.8706665 9.249125 
1 1 1    2   13   39 o  128.692   6.1998  120.442   10.002  139.352   12.658   89.021   16.317  143.199   6.5231  114.184   10.545 29.01541 12.39951 
1 1 1    2   13   40 o  140.469   6.8219  134.140   12.986  134.140   12.986   0.0000   0.0000  140.469   6.8219  ?   ?       ?      ? 
1 1 1    2   13   41 o  163.493   9.4910  182.320   21.028   0.0000   0.0000  182.320   21.028  ?   ?   163.493   9.4910      ?      ? 
1 1 1    2   13   42 o  196.435   5.7837  264.427   14.500  267.766   17.804  257.845   24.991  198.461   6.6199  194.409   9.4860 4.052597 11.56748 
1 1 1    2   13   43 o  125.567   5.1051  107.193   8.6833  111.289   12.464  103.329   12.104  127.899   7.1911  123.236   7.2480 4.662735 10.21011 
1 1 1    2   13   44 o  210.406   4.7915  300.736   13.652  317.147   19.656  285.442   18.975  215.952   6.7168  204.861   6.8352 11.09160 9.583042 
1 1 1    2   13   45 o  121.309   5.2263   99.857   8.5782  106.733   12.541   93.811   11.759  125.221   7.3906  117.397   7.3916 7.824547 10.45261 
1 1 1    2   13   46 o   61.988   7.8405   26.606   6.4085   31.557   9.4185   22.337   8.7449   67.937   10.230   56.039   11.884 11.89875 15.68092 
1 1 1    2   13   47 o  200.157   4.7550  272.487   12.896  277.548   18.417  267.619   18.063  201.979   6.7286  198.335   6.7206 3.644547 9.509992 
1 1 1    2   13   48 o  102.608   7.7414   71.984   10.752   76.528   15.614   67.887   14.828  105.685   10.903   99.530   10.993 6.154877 15.48288 
1 1 1    2   13   49 o  113.478   6.6381   91.103   9.4520   79.380   16.284   97.060   11.607  107.575   11.170  119.382   7.1749 -11.80713 13.27617 
1 1 1    2   13   50 o  139.107   6.2038  130.108   10.828  137.639   19.659  126.828   12.973  141.751   10.234  136.463   7.0152 5.288330 12.40764 
1 1 1    2   13   51 o  172.763   6.7004  203.245   15.687   0.0000   0.0000  203.245   15.687  ?   ?   172.763   6.7004      ?      ? 
1 1 1    2   13   52 o  203.481   4.8326  282.317   13.313  275.954   19.108  288.320   18.560  201.222   7.0072  205.740   6.6569 -4.517624 9.665166 
1 1 1    2   13   53 o  148.473   4.9405  150.193   9.9280  152.331   14.447  148.281   13.666  149.454   7.1333  147.492   6.8374 1.961258 9.880971 
1 1 1    2   13   54 o   70.669   7.6772   36.521   6.8103   24.775   9.9895   46.720   9.3088   58.696   12.910   82.642   8.3121 -23.94560 15.35441 
1 1 1    2   13   55 o  161.543   4.9018  178.483   10.707  167.998   15.320  188.496   14.970  156.848   7.2077  166.238   6.6454 -9.390732 9.803675 
1 1 1    2   13   56 o  113.752   5.4040   87.874   8.2816  102.449   12.247   75.594   11.241  122.416   7.3826  105.088   7.8937 17.32805 10.80809 
1 1 1    2   13   57 o  116.754   6.5026   91.669   9.8483   86.866   12.132  100.947   16.863  112.590   7.9518  120.917   10.291 -8.326607 13.00515 
1 1 1    2   13   58 o  103.600   5.6934   73.793   7.9759   70.430   11.481   76.931   11.088  101.262   8.3667  105.938   7.7238 -4.676308 11.38684 
1 1 1    2   13   59 o   61.631   8.1264   27.129   6.4988   28.290   9.8229   26.225   8.6666   62.691   12.000   60.572   10.962 2.119648 16.25282 
1 1 1    2   13   60 o  115.344   5.3515   91.645   8.3271   87.689   12.206   95.090   11.389  112.923   7.9762  117.765   7.1367 -4.841522 10.70292 
1 1 1    2   13   61 o  110.698   5.4610   84.659   8.1557   78.289   11.779   90.524   11.304  106.585   8.1552  114.811   7.2652 -8.225906 10.92197 
1 1 1    2   13   62 o   78.483   6.6718   43.388   6.9586   34.242   9.9295   52.214   9.7547   70.018   10.465   86.949   8.2788 -16.93116 13.34367 
1 1 1    2   13   63 o   32.932   9.0192   5.3099   5.7239   5.8083   8.4366   4.8848   7.7914   33.824   13.031   32.040   12.473 1.783791 18.03845 
1 1 1    2   13   64 o   42.544   10.048   12.398   6.6916   11.099   8.6140   14.376   10.626   40.088   13.447   45.000   14.932 -4.911922 20.09504 
1 1 1    2   13   65 o   63.655   7.7451   29.199   6.5005   27.059   9.4092   31.154   8.9912   60.717   11.861   66.593   9.9634 -5.875999 15.49029 
1 1 1    2   13   66 o   44.049   9.2222   15.322   6.8222  -0.8316   12.528   22.132   8.1339   33.247   14.563   54.851   11.318 -21.60366 18.44440 
1 1 1    2   13   67 o   40.865   9.6431   12.185   6.6798   2.8240   11.902   16.488   8.0706   34.833   14.704   46.897   12.480 -12.06405 19.28616 
1 1 1    2   13   68 o   88.500   7.4619   55.707   8.3443   56.493   14.725   55.335   10.127   88.135   12.329   88.865   8.4098 -0.7307205 14.92387 
1 1 1    2   13   69 o   65.191   9.4911   35.240   7.6913   23.324   13.430   41.056   9.3822   54.174   16.667   76.208   9.0849 -22.03481 18.98219 
1 1 1    2   13   70 o   61.134   11.462   27.902   9.1466   0.0000   0.0000   27.902   9.1466  ?   ?    61.134   11.462      ?      ? 
1 1 1    2   13   71 o   92.895   12.436   63.953   15.655   0.0000   0.0000   63.953   15.655  ?   ?    92.895   12.436      ?      ? 
1 1 1    2   13   72 o   45.275   11.435   15.338   8.8729   13.245   12.142   17.738   12.998   42.944   15.829   47.606   16.506 -4.661907 22.86921 
1 1 1    2   13   73 o   60.047   11.232   29.518   9.3255   25.503   12.916   33.891   13.478   55.585   16.172   64.509   15.591 -8.924183 22.46397 
1 1 1    2   13   74 o   47.354   11.107   16.102   8.9463   6.3634   11.994   28.315   13.432   36.517   15.034   58.191   16.354 -21.67448 22.21441 
1 1 1    2   13   75 o   86.163   9.6447   56.532   10.891   46.813   14.347   69.746   16.729   76.662   14.337   95.664   12.905 -19.00156 19.28944 
1 1 1    2   13   76 o   61.208   11.674   32.196   9.9055   34.126   13.053   29.576   15.210   64.348   15.209   58.068   17.715 6.279572 23.34825 
1 1 1    2   13   77 o   65.937   10.985   35.577   9.7682   25.938   13.010   48.032   14.789   55.027   16.294   76.848   14.737 -21.82127 21.97006 
1 1 1    2   13   78 o   37.056   10.541   6.1866   8.3772  -0.6912   11.030   15.563   12.878   30.012   13.380   44.099   16.293 -14.08755 21.08258 
1 1 1    2   13   79 o   47.580   11.364   19.515   8.7007   20.521   11.490   18.162   13.321   48.947   15.473   46.214   16.648 2.732864 22.72798 
1 1 1    2   13   80 o   56.079   11.698   28.520   9.5006   29.786   12.460   26.762   14.684   58.476   15.481   53.683   17.541 4.793823 23.39504 
1 1 1    2   13   81 f   37.658   15.113   9.9459   11.761   9.9459   11.761   0.0000   0.0000   37.658   15.113  ?   ?       ?      ? 
1 1 1    2   13   82 o   72.875   10.913   45.764   10.697   32.551   14.189   63.166   16.283   58.558   16.926   87.193   13.781 -28.63525 21.82626 
1 1 1    2   13   83 o   40.677   11.239   12.495   9.2966   4.5591   12.343   22.898   14.132   33.237   14.510   48.117   17.167 -14.87983 22.47735 
1 1 1    2   13   84 o   42.326   11.249   14.280   9.5686   2.6697   12.865   28.654   14.315   32.039   14.354   52.613   17.325 -20.57420 22.49895 
1 1 1    2   13   85 o   47.969   11.982   23.734   10.139   15.006   13.836   33.855   14.899   39.909   16.256   56.028   17.607 -16.11940 23.96411 
1 1 1    2   14    0 o  359.861   5.4595  879.430   26.608  918.774   37.771  840.674   37.488  367.866   7.5768  351.856   7.8622 16.00949 10.91893 
1 1 1    2   14    1 o  180.765   4.7123  220.391   11.505  205.152   15.518  238.992   17.144  173.872   6.5859  187.658   6.7417 -13.78650 9.424697 
1 1 1    2   14    2 o  244.978   4.8207  405.736   15.967  384.785   21.700  430.469   23.578  238.114   6.7251  251.842   6.9087 -13.72743 9.641410 
1 1 1    2   14    3 o   72.184   7.6881   38.222   6.8814   48.793   9.2566   25.162   10.289   84.762   8.0587   59.607   13.095 25.15458 15.37624 
1 1 1    2   14    4 o  548.209   7.0012  2042.68   51.998  2110.62   74.290  1977.42   72.804  557.154   9.8395  539.263   9.9626 17.89160 14.00245 
1 1 1    2   14    5 o  150.618   4.9383  153.490   10.046  148.333   13.571  159.740   14.941  147.837   6.7741  153.400   7.1873 -5.563263 9.876544 
1 1 1    2   14    6 o  304.213   5.1057  628.667   21.032  654.039   29.655  602.988   29.835  310.407   7.0498  298.020   7.3874 12.38705 10.21144 
1 1 1    2   14    7 o  194.419   5.7828  245.483   14.048  229.292   16.632  285.776   26.238  183.807   6.6774  205.032   9.4433 -21.22554 11.56566 
1 1 1    2   14    8 o  349.154   6.6091  832.015   29.265  838.196   35.663  819.270   51.208  351.351   7.4901  346.957   10.891 4.394104 13.21829 
1 1 1    2   14    9 o  185.640   5.7950  232.040   13.454  228.820   16.114  239.447   24.443  183.622   6.4760  187.658   9.6120 -4.035995 11.59000 
1 1 1    2   14   10 o   80.467   8.3954   46.111   7.7934   47.677   9.1591   42.005   14.835   83.778   8.0675   77.156   14.726 6.622360 16.79074 
1 1 1    2   14   11 o  287.669   5.0182  561.865   19.549  563.194   27.167  560.438   28.152  288.033   6.9602  287.305   7.2307 0.7272339 10.03634 
1 1 1    2   14   12 o  201.878   4.7580  276.658   13.000  277.026   17.941  276.252   18.863  202.029   6.5531  201.727   6.9001 0.3014374 9.515981 
1 1 1    2   14   13 o  207.370   5.5157  292.425   13.147  292.725   15.038  291.451   27.075  207.732   5.3421  207.009   9.6516 0.7230835 11.03142 
1 1 1    2   14   14 o   98.597   6.4926   63.120   7.2691   60.801   8.2002   71.624   15.706   94.649   6.3933  102.544   11.302 -7.895691 12.98510 
1 1 1    2   14   15 o  153.352   5.6052  160.118   9.8287  160.426   11.220  159.102   20.377  153.779   5.3842  152.926   9.8328 0.8532104 11.21039 
1 1 1    2   14   16 o  236.067   5.6064  384.600   15.316  390.316   17.637  367.071   30.886  239.860   5.4262  232.275   9.8123 7.584808 11.21270 
1 1 1    2   14   17 o   58.812   8.6995   20.133   6.0595   15.217   6.9454   35.801   12.399   46.342   11.187   71.282   13.326 -24.93962 17.39893 
1 1 1    2   14   18 o  245.418   5.9223  403.743   18.389  394.018   22.190  425.059   32.854  240.897   6.7975  249.938   9.7000 -9.040863 11.84468 
1 1 1    2   14   19 o  236.176   6.7782  378.741   21.694  378.741   21.694   0.0000   0.0000  236.176   6.7782  ?   ?       ?      ? 
1 1 1    2   14   20 o  372.512   6.3613  942.020   32.112  942.020   32.112   0.0000   0.0000  372.512   6.3613  ?   ?       ?      ? 
1 1 1    2   14   21 o  148.456   5.7334  151.525   9.7704  153.082   11.197  146.558   20.003  150.199   5.5011  146.713   10.061 3.486359 11.46686 
1 1 1    2   14   22 f  190.862   5.4905  244.582   12.102  241.914   13.832  253.286   24.987  188.816   5.4058  192.907   9.5583 -4.090286 10.98110 
1 1 1    2   14   23 o  252.494   5.6396  432.562   16.524  431.806   18.971  434.938   33.631  252.248   5.5499  252.740   9.8193 -0.4916992 11.27919 
1 1 1    2   14   24 o  164.699   5.5302  184.292   10.564  184.207   12.131  184.560   21.494  164.756   5.4333  164.642   9.6339 0.1141205 11.06044 
1 1 1    2   14   25 o  152.429   5.6681  161.572   9.9566  164.979   11.464  151.107   20.089  155.917   5.4255  148.940   9.9534 6.977371 11.33611 
1 1 1    2   14   26 o   98.243   6.8863   65.214   8.7255   64.059   10.751   67.445   14.936   97.054   8.1743   99.432   11.084 -2.378815 13.77261 
1 1 1    2   14   27 o  165.457   5.8420  183.840   12.362  179.229   15.068  193.335   21.619  162.424   6.8456  168.490   9.4686 -6.066147 11.68403 
1 1 1    2   14   28 o  136.295   6.0341  123.848   10.630  118.287   13.052  134.800   18.318  131.922   7.3009  140.669   9.6093 -8.747177 12.06825 
1 1 1    2   14   29 o  144.884   5.5438  137.964   9.4399  133.395   10.826  152.456   19.280  140.174   5.6995  149.594   9.5106 -9.420258 11.08764 
1 1 1    2   14   30 o  104.599   6.3493   75.428   7.7472   76.350   8.9501   72.672   15.471  106.025   6.2293  103.173   11.066 2.852226 12.69868 
1 1 1    2   14   31 o  168.312   5.4132  185.317   10.690  178.430   12.239  207.474   21.952  162.116   5.5711  174.507   9.2829 -12.39088 10.82637 
1 1 1    2   14   32 o  109.286   6.0192   77.534   7.8730   73.590   9.0845   89.433   15.780  104.074   6.4413  114.499   10.170 -10.42516 12.03832 
1 1 1    2   14   33 o  155.761   5.6118  167.373   10.288  169.782   11.944  160.450   20.250  158.130   5.5737  153.392   9.7419 4.737396 11.22368 
1 1 1    2   14   34 f   89.877   6.6899   52.297   7.2741   49.200   8.4334   61.295   14.376   85.055   7.3168   94.699   11.202 -9.644257 13.37983 
1 1 1    2   14   35 o  194.014   6.5566  255.834   17.238  255.834   17.238   0.0000   0.0000  194.014   6.5566  ?   ?       ?      ? 
1 1 1    2   14   36 f   82.270   8.6092   46.111   9.5981   46.111   9.5981   0.0000   0.0000   82.270   8.6092  ?   ?       ?      ? 
1 1 1    2   14   37 o  109.746   6.3220   76.535   8.9340   65.598   10.783  100.479   15.955   98.149   8.1072  121.343   9.7028 -23.19348 12.64401 
1 1 1    2   14   38 o  127.032   6.1497  115.014   9.2527  121.035   10.895   99.435   17.525  133.464   6.0239  120.601   10.723 12.86366 12.29941 
1 1 1    2   14   39 o   69.828   8.3418   26.146   7.0719   11.827   8.2573   65.556   13.699   41.712   13.108   97.944   10.321 -56.23174 16.68357 
1 1 1    2   14   40 o  191.016   5.9698  249.376   14.547  250.763   17.821  246.605   25.183  192.005   6.8493  190.025   9.7796 1.979904 11.93956 
1 1 1    2   14   41 o  288.684   7.1458  567.131   27.955   0.0000   0.0000  567.131   27.955  ?   ?   288.684   7.1458      ?      ? 
1 1 1    2   14   42 o  213.096   4.8064  308.856   13.878  313.350   19.838  304.550   19.420  214.611   6.8213  211.582   6.7732 3.028809 9.612801 
1 1 1    2   14   43 o  183.371   5.9265  228.346   13.905  226.439   17.026  232.165   24.096  182.416   6.8876  184.327   9.6465 -1.910950 11.85305 
1 1 1    2   14   44 o  140.099   5.9613  129.613   10.770  147.658   18.813  120.816   13.136  147.001   9.4439  133.197   7.2773 13.80371 11.92253 
1 1 1    2   14   45 o  221.781   6.8959  334.849   20.725  334.849   20.725   0.0000   0.0000  221.781   6.8959  ?   ?       ?      ? 
1 1 1    2   14   46 o  111.062   6.6866   86.763   9.2506   78.021   16.301   90.916   11.235  106.599   11.285  115.525   7.1764 -8.925919 13.37314 
1 1 1    2   14   47 o  171.591   6.7442  200.505   15.682   0.0000   0.0000  200.505   15.682  ?   ?   171.591   6.7442      ?      ? 
1 1 1    2   14   48 o  131.248   7.1434  117.420   12.705   0.0000   0.0000  117.420   12.705  ?   ?   131.248   7.1434      ?      ? 
1 1 1    2   14   49 o  234.292   4.8864  374.343   15.506  366.815   22.134  381.599   21.730  231.951   7.0418  236.633   6.7765 -4.682266 9.772799 
1 1 1    2   14   50 o  123.721   5.3095  104.258   8.8803  107.925   13.107  101.147   12.074  125.704   7.6943  121.739   7.3187 3.965355 10.61910 
1 1 1    2   14   51 o  128.941   5.1576  113.462   8.9931  114.530   13.177  112.531   12.304  129.478   7.5100  128.403   7.0712 1.075378 10.31511 
1 1 1    2   14   52 o  220.132   4.8321  330.662   14.411  335.278   20.662  326.289   20.109  221.617   6.8799  218.648   6.7869 2.969055 9.664128 
1 1 1    2   14   53 o   74.685   7.9738   37.463   7.8962   33.383   9.9907   44.252   12.888   69.524   10.604   79.847   11.911 -10.32340 15.94767 
1 1 1    2   14   54 o  110.520   6.8440   88.218   9.6296   99.080   12.224   70.449   15.634  120.296   7.4984  100.743   11.451 19.55296 13.68795 
1 1 1    2   14   55 o   99.024   5.9609   67.448   7.9796   66.629   11.657   68.171   10.946   98.405   8.7416   99.644   8.1065 -1.238960 11.92189 
1 1 1    2   14   56 o  126.248   5.2790  109.276   9.0245  110.472   13.052  108.180   12.492  126.884   7.5906  125.613   7.3386 1.271507 10.55807 
1 1 1    2   14   57 o   48.228   8.9356   15.942   6.3249   26.430   9.4848   7.5430   8.4875   60.443   12.003   36.013   13.240 24.42995 17.87120 
1 1 1    2   14   58 o   77.947   6.6217   42.226   6.9633   40.724   10.229   43.524   9.5061   76.557   9.8595   79.338   8.8418 -2.781120 13.24339 
1 1 1    2   14   59 o  138.889   5.0811  133.058   9.5316  123.854   13.695  141.705   13.274  134.114   7.5352  143.663   6.8185 -9.548203 10.16227 
1 1 1    2   14   60 o  124.391   5.3158  107.423   8.8815   92.203   12.655  122.198   12.468  115.478   8.0867  133.304   6.9020 -17.82641 10.63163 
1 1 1    2   14   61 o  122.896   5.2894  104.075   8.7998  110.065   12.778   98.671   12.137  126.257   7.4682  119.536   7.4924 6.720749 10.57875 
1 1 1    2   14   62 o  110.774   6.5274   80.656   9.4219   68.257   11.545  105.381   16.303   99.014   8.6044  122.534   9.8181 -23.51923 13.05489 
1 1 1    2   14   63 o   41.616   10.557   10.425   8.3275  -0.1344   12.767   18.243   10.986   33.981   14.798   49.252   15.061 -15.27118 21.11434 
1 1 1    2   14   64 o   97.589   7.1404   65.692   8.7167   72.060   15.981   62.995   10.400  100.111   11.780   95.067   8.0726 5.044235 14.28073 
1 1 1    2   14   65 o   83.356   8.4149   52.725   8.3022   45.671   14.783   55.975   10.034   77.277   14.653   89.436   8.2791 -12.15907 16.82986 
1 1 1    2   14   66 o   43.282   9.7459   9.2876   6.7283   26.196   12.102   1.7241   8.0945   57.730   15.244   28.835   12.146 28.89499 19.49174 
1 1 1    2   14   67 o   84.912   7.6073   52.787   8.1490   49.590   14.096   54.392   9.9869   81.938   12.695   87.886   8.3855 -5.947601 15.21453 
1 1 1    2   14   68 o   29.295   13.198  -3.1606   11.046   0.0000   0.0000  -3.1606   11.046  ?   ?    29.295   13.198      ?      ? 
1 1 1    2   14   69 o   40.923   15.475   11.273   11.756   0.0000   0.0000   11.273   11.756  ?   ?    40.923   15.475      ?      ? 
1 1 1    2   14   70 o   67.789   10.364   36.444   9.5453   24.573   13.269   49.176   13.742   54.525   16.526   81.052   12.511 -26.52648 20.72778 
1 1 1    2   14   71 o   36.258   10.508   6.3542   8.2389   5.8122   11.814   6.8673   11.496   35.976   14.877   36.540   14.843 -0.5645294 21.01541 
1 1 1    2   14   72 o  124.536   7.7345  114.146   12.994  100.661   18.010  128.785   18.765  116.427   11.415  132.645   10.439 -16.21782 15.46907 
1 1 1    2   14   73 o  100.158   8.5348   75.305   11.550   71.903   15.627   79.401   17.146   97.918   11.777  102.399   12.356 -4.481552 17.06958 
1 1 1    2   14   74 o   49.831   11.551   20.527   9.0550   16.452   12.255   25.427   13.438   45.250   16.003   54.411   16.660 -9.160946 23.10113 
1 1 1    2   14   75 o   88.092   8.8978   59.499   10.577   57.763   14.247   61.629   15.786   87.081   12.073   89.102   13.074 -2.020973 17.79552 
1 1 1    2   14   76 o   39.476   10.652   10.845   8.3623   16.392   11.086   3.5212   12.738   44.585   15.254   34.368   14.873 10.21652 21.30478 
1 1 1    2   14   77 o   26.803   8.8371  -6.2895   7.6719  -8.0168   9.9147  -3.7122   12.111   24.314   11.481   29.292   13.437 -4.978481 17.67410 
1 1 1    2   14   78 o   45.027   11.379   17.661   8.9185   20.353   11.783   14.049   13.646   48.056   15.713   41.997   16.463 6.058857 22.75850 
1 1 1    2   14   79 o   31.941   13.928   2.9577   11.346   2.9577   11.346   0.0000   0.0000   31.941   13.928  ?   ?       ?      ? 
1 1 1    2   14   80 o   27.076   12.579  -4.4977   11.109  -4.4977   11.109   0.0000   0.0000   27.076   12.579  ?   ?       ?      ? 
1 1 1    2   14   81 o   37.288   10.921   10.298   8.9779   10.369   11.896   10.206   13.684   37.002   15.073   37.573   15.808 -0.5712891 21.84244 
1 1 1    2   14   82 o   52.202   11.642   27.749   9.7439   35.995   13.518   18.831   14.058   60.940   16.120   43.465   16.800 17.47514 23.28319 
1 1 1    2   14   83 o   55.017   12.173   32.424   10.089   31.272   14.235   33.587   14.302   53.878   17.243   56.157   17.186 -2.279335 24.34505 
1 1 1    2   15    0 o  305.815   6.2988  634.487   24.308  631.817   29.405  640.252   43.199  305.005   7.1143  306.625   10.396 -1.619965 12.59762 
1 1 1    2   15    1 f  219.499   6.6081  327.115   19.656  327.115   19.656   0.0000   0.0000  219.499   6.6081  ?   ?       ?      ? 
1 1 1    2   15    2 o  225.039   4.8192  343.728   14.667  341.487   20.082  346.290   21.472  224.268   6.6078  225.810   7.0169 -1.542206 9.638441 
1 1 1    2   15    3 o  150.804   4.9728  153.705   10.122  146.631   13.606  162.471   15.147  146.947   6.8328  154.660   7.2270 -7.713348 9.945691 
1 1 1    2   15    4 o  413.031   5.9169  1159.59   33.111  1191.88   47.088  1128.00   46.569  418.730   8.2984  407.332   8.4366 11.39841 11.83383 
1 1 1    2   15    5 o  131.264   6.1891  115.699   10.712  123.425   17.521  111.087   13.537  134.671   9.6009  127.857   7.8130 6.813820 12.37824 
1 1 1    2   15    6 o  122.113   6.3802  103.073   10.201   94.619   16.343  108.470   13.057  117.876   10.231  126.350   7.6261 -8.473434 12.76043 
1 1 1    2   15    7 o   78.547   8.7145   46.427   8.3354   30.238   13.088   57.473   10.811   65.162   15.115   91.932   8.6783 -26.76972 17.42896 
1 1 1    2   15    8 o  261.591   5.9666  465.214   20.280  465.461   33.888  465.076   25.313  261.516   9.5623  261.665   7.1388 -0.1493530 11.93310 
1 1 1    2   15    9 o  252.819   5.8991  432.090   19.403  443.395   32.530  425.847   24.173  255.254   9.4043  250.384   7.1244 4.869965 11.79819 
1 1 1    2   15   10 o   79.901   8.2489   45.531   8.3881   37.540   12.935   51.331   11.019   72.954   13.584   86.849   9.3628 -13.89468 16.49779 
1 1 1    2   15   11 o  234.592   5.8584  374.458   17.945  373.156   29.618  375.214   22.556  234.161   9.3340  235.024   7.0823 -0.8636475 11.71674 
1 1 1    2   15   12 o  335.216   6.4497  751.168   27.840  807.393   48.234  723.079   34.093  344.253   10.339  326.178   7.7130 18.07532 12.89937 
1 1 1    2   15   13 o  170.587   5.7173  200.918   11.153  203.666   12.772  192.092   22.888  173.240   5.4404  167.934   10.058 5.306351 11.43468 
1 1 1    2   15   14 o  103.968   6.5243   71.528   7.6520   69.949   8.6373   77.292   16.498  101.499   6.2796  106.437   11.438 -4.938255 13.04859 
1 1 1    2   15   15 o  148.730   5.8139  152.680   9.8146  154.612   11.201  146.293   20.367  150.937   5.4761  146.524   10.257 4.412384 11.62772 
1 1 1    2   15   16 o  208.074   5.6837  299.384   13.498  303.814   15.450  285.096   27.746  211.584   5.3885  204.565   10.009 7.018860 11.36733 
1 1 1    2   15   17 o  236.118   5.6212  376.359   15.330  373.894   17.542  384.323   31.533  234.709   5.5153  237.527   9.7966 -2.817825 11.24243 
1 1 1    2   15   18 o  239.519   5.6280  386.548   15.586  383.318   17.836  396.981   32.054  237.643   5.5386  241.394   9.7989 -3.751160 11.25590 
1 1 1    2   15   19 o   89.745   7.0852   55.464   7.3417   56.001   8.4359   53.786   14.906   90.788   6.8567   88.702   12.401 2.086426 14.17038 
1 1 1    2   15   20 o  116.929   6.0988   90.737   8.3981   88.474   9.6592   97.745   16.999  114.138   6.2449  119.719   10.478 -5.581223 12.19766 
1 1 1    2   15   21 o  204.863   5.9202  282.328   15.490  276.086   18.869  295.229   27.126  201.568   6.9079  208.158   9.6164 -6.590302 11.84036 
1 1 1    2   15   22 o  353.285   7.7309  850.420   36.976  817.830   50.949  886.687   53.746  346.163   10.861  360.406   11.005 -14.24341 15.46173 
1 1 1    2   15   23 o  145.180   10.088  143.729   19.846   0.0000   0.0000  143.729   19.846  ?   ?   145.180   10.088      ?      ? 
1 1 1    2   15   24 o  267.569   7.1728  484.958   25.901  452.535   34.756  525.455   38.844  257.612   9.9559  277.526   10.328 -19.91333 14.34561 
1 1 1    2   15   25 o  313.343   7.2923  667.594   30.965  667.594   30.965   0.0000   0.0000  313.343   7.2923  ?   ?       ?      ? 
1 1 1    2   15   26 o  173.645   6.0784  208.634   13.179  214.163   15.931  196.652   23.453  177.523   6.6225  169.768   10.195 7.755096 12.15673 
1 1 1    2   15   27 o  220.143   5.8773  328.987   16.340  327.323   19.778  332.565   29.005  219.457   6.6504  220.830   9.6924 -1.372421 11.75453 
1 1 1    2   15   28 f  141.773   6.0908  134.965   10.924  131.626   13.180  142.292   19.523  139.138   6.9902  144.408   9.9764 -5.270111 12.18163 
1 1 1    2   15   29 o  236.101   6.0635  389.118   18.066  407.361   22.162  352.985   31.189  244.800   6.6805  227.402   10.121 17.39774 12.12703 
1 1 1    2   15   30 o   86.359   8.4729   50.802   9.9157   50.802   9.9157   0.0000   0.0000   86.359   8.4729  ?   ?       ?      ? 
1 1 1    2   15   31 o  228.596   5.6283  354.924   17.435  354.924   17.435   0.0000   0.0000  228.596   5.6283  ?   ?       ?      ? 
1 1 1    2   15   32 o  179.201   5.6560  213.717   11.843  209.061   13.579  228.518   24.210  175.432   5.7118  182.969   9.7641 -7.537064 11.31206 
1 1 1    2   15   33 o  201.386   5.6560  271.638   13.363  267.199   15.372  285.372   27.039  198.324   5.7196  204.449   9.7595 -6.125000 11.31205 
1 1 1    2   15   34 o  324.540   6.2182  723.653   23.737  729.352   27.507  707.029   46.979  327.576   6.1965  321.505   10.783 6.070801 12.43637 
1 1 1    2   15   35 o  215.910   5.6802  313.823   14.477  310.005   16.722  325.249   28.926  213.600   5.7772  218.221   9.7817 -4.620972 11.36034 
1 1 1    2   15   36 o  135.256   6.1244  128.675   9.7267  132.936   11.339  116.807   18.924  139.855   5.9830  130.658   10.688 9.197128 12.24878 
1 1 1    2   15   37 o  105.716   6.9626   84.247   8.5013   93.943   10.092   60.545   15.778  117.540   6.3356   93.892   12.400 23.64834 13.92511 
1 1 1    2   15   38 o  152.829   5.8972  160.880   10.685  162.656   12.443  155.893   20.851  154.689   5.9357  150.968   10.192 3.721298 11.79440 
1 1 1    2   15   39 o   40.769   11.021   7.9595   8.5509   10.297   11.769   5.3460   12.444   42.645   15.604   38.894   15.568 3.750816 22.04209 
1 1 1    2   15   40 o  251.320   5.8304  436.178   17.363  442.059   20.228  419.713   33.844  254.994   5.8539  247.646   10.085 7.348541 11.66076 
1 1 1    2   15   41 o  168.554   6.0615  207.378   12.116  225.021   14.423  165.090   22.330  181.915   5.8508  155.193   10.618 26.72243 12.12307 
1 1 1    2   15   42 o   84.167   8.0103   47.075   8.9748   40.262   11.461   57.875   14.430   76.581   11.044   91.753   11.606 -15.17289 16.02068 
1 1 1    2   15   43 o  165.642   7.5524  185.020   16.777  211.949   26.127  166.126   21.885  175.658   10.976  155.627   10.377 20.03088 15.10483 
1 1 1    2   15   44 f  240.269   7.3814  396.901   23.939  389.340   35.261  403.366   32.605  237.992   10.933  242.547   9.9199 -4.555374 14.76270 
1 1 1    2   15   45 o  112.085   6.8590   86.621   9.8378   87.599   12.112   84.723   16.866  113.248   7.8920  110.922   11.220 2.325974 13.71795 
1 1 1    2   15   46 o  145.372   5.0020  144.680   9.8189  133.730   14.089  155.020   13.692  139.954   7.4287  150.790   6.7004 -10.83589 10.00404 
1 1 1    2   15   47 o   96.868   5.9103   65.072   7.6544   56.783   11.282   72.140   10.419   90.980   9.1512  102.757   7.4822 -11.77726 11.82068 
1 1 1    2   15   48 o  127.790   5.1951  111.196   8.9797  119.068   13.184  104.384   12.264  131.990   7.3712  123.590   7.3225 8.399704 10.39011 
1 1 1    2   15   49 o  109.801   5.5939   82.945   8.2844   76.493   11.973   88.871   11.475  105.617   8.3655  113.985   7.4287 -8.368378 11.18778 
1 1 1    2   15   50 o   78.813   7.6955   43.466   8.0153   45.296   10.391   40.778   12.595   81.091   9.4562   76.535   12.143 4.555641 15.39093 
1 1 1    2   15   51 o  107.768   5.6700   79.101   8.2244   93.277   12.173   67.196   11.156  116.637   7.7015   98.899   8.3237 17.73761 11.34007 
1 1 1    2   15   52 o   97.685   5.9365   66.171   7.7927   59.505   11.371   72.074   10.701   92.893   9.0327  102.477   7.7057 -9.584335 11.87298 
1 1 1    2   15   53 o  102.687   5.8078   73.656   7.9530   61.108   11.542   84.999   10.973   94.063   9.0552  111.311   7.2748 -17.24858 11.61552 
1 1 1    2   15   54 o   83.878   6.3074   48.359   7.1410   51.731   10.694   45.645   9.5936   86.462   9.1267   81.293   8.7085 5.169289 12.61487 
1 1 1    2   15   55 o  120.906   5.3538   99.794   8.7159  117.141   12.929   85.344   11.800  130.522   7.3098  111.290   7.8244 19.23221 10.70767 
1 1 1    2   15   56 o  122.179   5.3097  103.042   8.7565  100.669   12.882  105.080   11.939  120.769   7.8712  123.590   7.1286 -2.821022 10.61944 
1 1 1    2   15   57 o   93.350   5.9254   59.757   7.4555   68.163   11.218   53.108   9.9777   99.175   8.3473   87.526   8.4122 11.64938 11.85089 
1 1 1    2   15   58 o   73.168   6.9356   38.089   6.7529   33.317   10.118   41.921   9.0684   68.696   10.868   77.640   8.6191 -8.943741 13.87123 
1 1 1    2   15   59 o   95.108   8.4303   65.016   10.732   61.831   16.233   67.489   14.304   92.588   12.937   97.628   10.812 -5.039803 16.86060 
1 1 1    2   15   60 o   73.303   10.446   40.519   9.9496   43.316   15.145   38.396   13.197   75.256   15.371   71.349   14.149 3.906799 20.89111 
1 1 1    2   15   61 o   73.251   8.9533   39.173   7.8990   40.399   14.495   38.656   9.4207   72.429   15.250   74.072   9.3853 -1.642487 17.90668 
1 1 1    2   15   62 o   52.510   10.197   21.565   7.2019   19.180   13.027   22.614   8.6428   50.059   16.530   54.961   11.945 -4.902260 20.39404 
1 1 1    2   15   63 o   62.470   9.5050   32.276   7.5067   21.537   13.214   37.392   9.1214   52.279   16.600   72.661   9.2635 -20.38203 19.01009 
1 1 1    2   15   64 o   32.617   8.9432   4.3534   6.4537  -9.4680   11.413   10.850   7.8247   26.584   12.480   38.650   12.813 -12.06637 17.88633 
1 1 1    2   15   65 o   58.758   11.064   27.734   8.9798   25.520   12.504   30.092   12.904   56.279   15.766   61.237   15.528 -4.958199 22.12867 
1 1 1    2   15   66 o   41.181   15.489   11.568   11.741   0.0000   0.0000   11.568   11.741  ?   ?    41.181   15.489      ?      ? 
1 1 1    2   15   67 o   39.755   15.516   9.9493   12.081   0.0000   0.0000   9.9493   12.081  ?   ?    39.755   15.516      ?      ? 
1 1 1    2   15   68 o   38.665   10.462   8.5950   8.1688   0.7351   11.821   15.780   11.302   32.368   14.163   44.962   15.402 -12.59441 20.92355 
1 1 1    2   15   69 o   55.010   10.828   24.830   8.6278   17.703   12.121   32.151   12.284   46.929   15.950   63.090   14.649 -16.16158 21.65673 
1 1 1    2   15   70 o   40.592   10.113   8.2090   8.1191  -4.6472   11.002   23.581   12.031   27.961   12.819   53.223   15.644 -25.26217 20.22523 
1 1 1    2   15   71 o   35.947   10.491   6.3825   8.2741   6.1345   11.393   6.6593   12.036   35.473   14.634   36.421   15.035 -0.9482002 20.98141 
1 1 1    2   15   72 o   57.515   10.844   28.411   9.2207   39.287   12.731   16.410   13.373   69.855   13.937   45.174   16.618 24.68029 21.68880 
1 1 1    2   15   73 o   41.881   11.014   13.460   8.5407   17.142   11.548   9.0128   12.689   45.448   15.569   38.314   15.583 7.133923 22.02721 
1 1 1    2   15   74 o   55.976   11.416   26.641   9.2179   19.970   12.114   35.818   14.208   48.071   15.943   63.881   16.345 -15.80999 22.83266 
1 1 1    2   15   75 o   54.777   11.596   26.173   9.3253   20.117   12.251   34.516   14.380   47.784   16.037   61.770   16.754 -13.98672 23.19242 
1 1 1    2   15   76 o   35.351   10.480   5.3747   8.4884  -0.0245   11.032   13.209   13.289   29.797   13.325   40.905   16.179 -11.10765 20.96021 
1 1 1    2   15   77 o   34.029   10.368   5.1953   8.6258   4.2854   11.558   6.3393   12.960   32.822   14.186   35.236   15.124 -2.413555 20.73547 
1 1 1    2   15   78 o   24.353   11.647  -9.5195   10.864  -9.5195   10.864   0.0000   0.0000   24.353   11.647  ?   ?       ?      ? 
1 1 1    2   15   79 o   28.853   13.152  -0.7727   11.362  -0.7727   11.362   0.0000   0.0000   28.853   13.152  ?   ?       ?      ? 
1 1 1    2   15   80 f   32.999   10.175   5.5663   8.6048   2.7361   12.003   8.5584   12.342   31.025   13.885   34.974   14.878 -3.949404 20.35056 
1 1 1    2   15   81 o   28.242   9.2463  -1.6058   8.4080  -4.2379   11.826   1.0850   11.957   26.875   12.644   29.608   13.494 -2.733435 18.49256 
1 1 1    2   16    0 o  204.419   6.2527  294.663   15.725  310.666   18.956  259.339   28.162  213.855   6.5409  194.983   10.658 18.87201 12.50531 
1 1 1    2   16    1 o  183.013   6.0296  224.444   13.566  219.804   16.019  236.207   25.506  179.880   6.5716  186.146   10.111 -6.265305 12.05919 
1 1 1    2   16    2 o   91.339   6.3641   58.054   7.6900   64.839   10.242   49.286   11.643   97.649   7.7398   85.029   10.105 12.61983 12.72825 
1 1 1    2   16    3 o  207.658   4.8594  292.934   13.643  291.964   18.661  294.048   19.998  207.308   6.6424  208.008   7.0946 -0.7001953 9.718840 
1 1 1    2   16    4 o  168.141   4.9046  191.695   11.140  187.187   15.087  197.100   16.519  165.987   6.7071  170.294   7.1580 -4.306900 9.809284 
1 1 1    2   16    5 o  147.610   5.0858  148.904   10.106  156.995   13.767  139.452   14.881  152.013   6.6831  143.207   7.6679 8.805847 10.17153 
1 1 1    2   16    6 o  154.518   4.9996  161.236   10.428  151.026   14.012  173.911   15.612  149.079   6.9360  159.957   7.2025 -10.87836 9.999261 
1 1 1    2   16    7 o   63.723   8.1729   29.203   6.7128   34.199   8.9590   22.809   10.136   70.856   9.3304   56.590   13.421 14.26604 16.34579 
1 1 1    2   16    8 o   78.685   6.6364   41.988   7.0402   40.408   9.4191   43.989   10.597   77.031   9.0232   80.339   9.7340 -3.308075 13.27287 
1 1 1    2   16    9 o  147.045   5.0360  146.391   9.9942  140.981   13.441  153.080   14.946  144.034   6.8864  150.056   7.3501 -6.022568 10.07209 
1 1 1    2   16   10 o  137.128   5.2106  129.313   9.5698  142.571   13.055  113.915   14.069  144.856   6.6505  129.401   8.0233 15.45541 10.42125 
1 1 1    2   16   11 o  120.214   5.4091   98.055   8.7581   96.293   11.708  100.293   13.197  119.013   7.2593  121.415   8.0210 -2.401848 10.81825 
1 1 1    2   16   12 o  152.544   5.0886  158.326   10.474  159.686   14.203  156.706   15.507  153.287   6.8376  151.801   7.5380 1.485764 10.17715 
1 1 1    2   16   13 o  248.454   5.7503  403.367   16.196  390.372   18.276  450.900   34.953  239.782   5.6245  257.126   10.031 -17.34453 11.50053 
1 1 1    2   16   14 o   97.693   7.5028   64.150   9.0535   62.768   10.726   67.576   16.882   96.033   8.2422   99.353   12.539 -3.319420 15.00552 
1 1 1    2   16   15 o  118.752   6.6631   93.293   9.8976   89.068   11.777  103.453   18.263  114.432   7.5946  123.073   10.950 -8.640434 13.32620 
1 1 1    2   16   16 f  198.498   6.0473  266.565   15.039  263.795   18.057  272.839   27.173  197.008   6.7638  199.988   10.026 -2.979111 12.09453 
1 1 1    2   16   17 o   54.480   10.031   20.877   6.5011   21.113   7.3005   19.973   14.288   54.759   10.214   54.202   17.267 0.5568619 20.06193 
1 1 1    2   16   18 o   51.361   9.9666   18.688   6.3521   19.242   7.1745   16.677   13.664   52.172   10.511   50.551   16.937 1.621086 19.93319 
1 1 1    2   16   19 o  147.490   5.7527  139.089   9.7694  131.718   11.051  165.453   20.899  139.257   5.8561  155.723   9.9035 -16.46620 11.50537 
1 1 1    2   16   20 o  219.259   5.7521  331.966   14.525  336.306   16.684  318.378   29.521  222.542   5.5324  215.976   10.087 6.565826 11.50423 
1 1 1    2   16   21 f  112.243   6.6696   90.584   8.4823   94.914   9.7714   77.343   17.087  118.194   6.1007  106.292   11.862 11.90190 13.33921 
1 1 1    2   16   22 o  109.571   6.7036   84.506   8.3909   86.918   9.6457   77.000   17.013  113.094   6.2938  106.049   11.838 7.044357 13.40722 
1 1 1    2   16   23 o  233.336   5.7005  366.654   15.416  362.920   17.655  378.639   31.630  231.156   5.6360  235.516   9.9104 -4.359665 11.40093 
1 1 1    2   16   24 o  143.356   5.9359  139.627   11.532  139.627   11.532   0.0000   0.0000  143.356   5.9359  ?   ?       ?      ? 
1 1 1    2   16   25 o  184.376   5.7186  230.930   14.288  230.930   14.288   0.0000   0.0000  184.376   5.7186  ?   ?       ?      ? 
1 1 1    2   16   26 o  132.253   6.2629  118.886   11.224  118.886   11.224   0.0000   0.0000  132.253   6.2629  ?   ?       ?      ? 
1 1 1    2   16   27 o  179.186   6.2396  239.542   12.788  262.254   15.009  179.389   24.425  196.480   5.6369  161.892   11.134 34.58879 12.47928 
1 1 1    2   16   28 o   78.936   7.9353   37.409   7.6759   31.326   8.8555   55.786   15.393   67.732   9.6480   90.141   12.601 -22.40871 15.87067 
1 1 1    2   16   29 f  168.937   6.3605  198.752   13.674  207.282   16.885  182.500   23.306  174.527   7.1394  163.346   10.529 11.18022 12.72100 
1 1 1    2   16   30 o  247.986   7.1948  418.570   24.178  418.570   24.178   0.0000   0.0000  247.986   7.1948  ?   ?       ?      ? 
1 1 1    2   16   31 o  140.653   6.0848  134.489   11.598  134.489   11.598   0.0000   0.0000  140.653   6.0848  ?   ?       ?      ? 
1 1 1    2   16   32 o  201.066   6.2135  281.409   16.020  294.329   19.952  257.968   26.875  207.941   7.0805  194.191   10.212 13.74930 12.42693 
1 1 1    2   16   33 o  208.447   5.7962  298.573   14.220  300.964   16.485  291.620   28.114  210.423   5.7810  206.471   10.048 3.951767 11.59247 
1 1 1    2   16   34 o   86.015   9.0524   51.184   10.495   54.303   14.424   47.674   15.299   88.899   11.973   83.130   13.580 5.768257 18.10484 
1 1 1    2   16   35 o   77.864   8.9972   37.391   8.6680   20.385   10.594   71.834   15.077   53.380   14.340  102.349   10.870 -48.96898 17.99446 
1 1 1    2   16   36 o   99.432   7.4226   68.121   9.5585   68.986   11.929   66.569   15.977  100.493   8.7594   98.370   11.985 2.122833 14.84513 
1 1 1    2   16   37 o  189.041   6.1467  248.369   14.927  258.257   18.596  230.453   25.031  194.693   7.0482  183.389   10.072 11.30391 12.29339 
1 1 1    2   16   38 o   93.825   7.6797   58.310   9.5319   51.137   11.995   70.600   15.702   86.345   10.251  101.304   11.438 -14.95894 15.35933 
1 1 1    2   16   39 o  141.897   6.6207  138.622   12.228  140.572   15.359  135.247   20.207  143.485   7.8988  140.308   10.627 3.177414 13.24140 
1 1 1    2   16   40 o  163.934   5.8897  182.945   11.514  182.064   13.398  185.433   22.514  163.531   6.0459  164.337   10.109 -0.8060150 11.77937 
1 1 1    2   16   41 o  136.759   6.1107  129.607   9.9562  131.402   11.637  124.701   19.233  138.891   6.1827  134.626   10.542 4.264786 12.22146 
1 1 1    2   16   42 o   90.066   7.3322   58.110   7.9357   61.139   9.4262   50.737   14.705   94.613   7.3519   85.519   12.688 9.093704 14.66443 
1 1 1    2   16   43 o  102.739   6.5308   70.393   8.2865   67.562   9.7790   77.605   15.606   99.443   7.2567  106.036   10.860 -6.593140 13.06170 
1 1 1    2   16   44 o   95.472   6.9021   59.283   8.0936   54.970   9.4559   71.101   15.652   89.613   7.7866  101.331   11.399 -11.71802 13.80424 
1 1 1    2   16   45 o   98.569   6.9709   64.238   8.3374   61.028   9.7064   73.271   16.283   94.414   7.5865  102.725   11.697 -8.310814 13.94172 
1 1 1    2   16   46 o   49.587   12.587   17.820   8.4724   17.820   8.4724   0.0000   0.0000   49.587   12.587  ?   ?       ?      ? 
1 1 1    2   16   47 o   51.863   9.5678   21.106   7.1412   26.330   8.5580   9.1294   12.959   61.666   10.241   42.060   16.165 19.60598 19.13552 
1 1 1    2   16   48 o  107.476   6.4874   76.804   8.5879   72.949   10.097   86.886   16.329  103.159   7.2228  111.793   10.779 -8.633492 12.97489 
1 1 1    2   16   49 o   82.166   7.6005   47.392   7.6362   47.918   9.0695   46.112   14.154   83.450   8.0200   80.882   12.913 2.567429 15.20101 
1 1 1    2   16   50 o   84.379   7.6435   46.135   8.4190   35.661   10.396   66.092   14.351   71.483   10.732   97.274   10.887 -25.79094 15.28708 
1 1 1    2   16   51 o   58.650   8.2901   24.958   6.3657   22.761   9.8179   26.552   8.3614   55.560   13.230   61.739   9.9939 -6.179089 16.58020 
1 1 1    2   16   52 o   27.365   8.3605  -0.2653   5.6101  -1.2649   8.7854   0.4229   7.2900   27.917   12.213   26.814   11.421 1.103191 16.72107 
1 1 1    2   16   53 o   62.563   8.0613   30.560   6.3884   15.655   9.4558   43.076   8.6651   46.236   13.937   78.890   8.1054 -32.65369 16.12252 
1 1 1    2   16   54 o   67.812   6.9676   31.935   6.3433   34.328   9.7821   30.198   8.3327   69.872   10.331   65.751   9.3519 4.120880 13.93524 
1 1 1    2   16   55 o   37.330   8.4422   6.5507   5.6505   18.612   8.7098  -2.2150   7.4251   49.941   12.808   24.718   11.002 25.22386 16.88435 
1 1 1    2   16   56 o   45.959   11.431   14.653   8.6311   15.747   14.125   14.001   10.903   47.569   17.142   44.349   15.128 3.220421 22.86287 
1 1 1    2   16   57 o   48.122   11.450   17.231   8.8552   14.808   13.640   18.996   11.642   46.270   16.819   49.973   15.542 -3.702553 22.90037 
1 1 1    2   16   58 o   75.636   9.4086   47.207   8.0904   32.700   14.958   53.206   9.6188   64.025   16.968   87.247   8.1355 -23.22209 18.81720 
1 1 1    2   16   59 o   70.070   9.2497   33.359   7.7525   47.000   15.033   28.418   9.0485   78.120   14.741   62.020   11.177 16.09982 18.49940 
1 1 1    2   16   60 o   45.812   10.166   16.650   7.0012   10.350   13.242   19.094   8.2484   41.490   16.230   50.135   12.246 -8.645279 20.33183 
1 1 1    2   16   61 o   60.347   9.6613   31.813   7.6859   16.498   13.838   38.645   9.2427   46.996   16.962   73.698   9.2546 -26.70138 19.32268 
1 1 1    2   16   62 o   83.365   9.4591   52.296   10.337   63.291   15.335   43.137   13.996   92.458   12.239   74.271   14.426 18.18759 18.91811 
1 1 1    2   16   63 o   41.409   11.137   11.600   8.6404   10.982   12.649   12.141   11.831   41.112   15.923   41.707   15.575 -0.5956268 22.27415 
1 1 1    2   16   64 o   21.746   10.616 -16.7006   10.261   0.0000   0.0000 -16.7006   10.261  ?   ?    21.746   10.616      ?      ? 
1 1 1    2   16   65 o   48.719   15.986   19.268   12.192   0.0000   0.0000   19.268   12.192  ?   ?    48.719   15.986      ?      ? 
1 1 1    2   16   66 o   45.132   11.120   16.057   8.3487   16.630   11.861   15.495   11.754   45.732   15.772   44.533   15.681 1.199364 22.24049 
1 1 1    2   16   67 o   63.065   10.662   32.655   8.9916   31.351   12.667   33.980   12.765   61.635   15.249   64.495   14.905 -2.860050 21.32361 
1 1 1    2   16   68 o   35.741   9.8776   3.1035   7.9252  -8.7648   10.746   17.260   11.736   25.449   11.997   46.034   15.695 -20.58517 19.75518 
1 1 1    2   16   69 o   55.850   10.897   26.461   9.2616   38.589   13.000   13.959   13.198   68.804   14.404   42.897   16.354 25.90688 21.79328 
1 1 1    2   16   70 f   69.506   10.792   40.408   9.8728   38.505   13.521   42.581   14.450   67.854   15.094   71.158   15.430 -3.303986 21.58487 
1 1 1    2   16   71 o   49.086   11.560   20.697   9.1042   16.025   12.380   26.200   13.436   44.010   16.019   54.162   16.672 -10.15194 23.12049 
1 1 1    2   16   72 o   41.389   10.876   11.602   8.6376   2.9790   11.478   22.860   13.116   32.426   14.076   50.352   16.584 -17.92546 21.75194 
1 1 1    2   16   73 o   51.542   11.754   24.291   9.3176   21.562   12.538   27.658   13.925   48.744   16.222   54.341   17.013 -5.597591 23.50770 
1 1 1    2   16   74 o   36.488   10.663   8.5636   8.5511   6.5708   11.545   10.985   12.727   34.474   14.513   38.501   15.626 -4.027199 21.32593 
1 1 1    2   16   75 o   37.988   10.740   10.782   8.6956   16.103   11.873   4.6253   12.771   42.341   15.644   33.635   14.719 8.706146 21.47997 
1 1 1    2   16   76 o   36.532   15.030   10.038   11.976   10.038   11.976   0.0000   0.0000   36.532   15.030  ?   ?       ?      ? 
1 1 1    2   16   77 o   35.035   14.796   8.6813   12.061   8.6813   12.061   0.0000   0.0000   35.035   14.796  ?   ?       ?      ? 
1 1 1    2   16   78 o   33.920   10.302   6.8311   8.8865   13.579   12.297  -0.5463   12.857   38.259   15.418   29.581   13.669 8.678085 20.60446 
1 1 1    2   17    0 o  109.445   5.7983   82.158   8.4951   85.980   11.331   77.253   12.837  112.420   7.4381  106.469   8.8970 5.950584 11.59664 
1 1 1    2   17    1 f  169.946   5.0842  196.985   11.649  202.545   15.828  190.416   17.206  172.606   6.7669  167.286   7.5898 5.320236 10.16841 
1 1 1    2   17    2 o  273.352   5.1186  509.030   18.926  524.888   26.247  491.854   27.315  277.832   6.9713  268.872   7.4968 8.959808 10.23725 
1 1 1    2   17    3 o  163.918   5.1175  183.509   11.291  190.145   15.276  175.518   16.762  167.240   6.7402  160.597   7.7022 6.643280 10.23495 
1 1 1    2   17    4 o  230.908   5.0094  362.459   15.644  360.245   21.433  364.985   22.887  230.179   6.8713  231.637   7.2913 -1.458679 10.01886 
1 1 1    2   17    5 f  188.187   6.1062  243.801   15.010  231.473   24.425  251.283   19.028  184.176   9.7862  192.197   7.3056 -8.020340 12.21236 
1 1 1    2   17    6 o  125.847   6.6174  106.903   10.953  112.551   17.984  103.573   13.810  128.372   10.338  123.323   8.2635 5.049721 13.23479 
1 1 1    2   17    7 o  103.984   7.2529   73.980   9.9173   73.262   16.056   74.423   12.611  103.475   11.450  104.493   8.9056 -1.018471 14.50579 
1 1 1    2   17    8 o  139.636   6.4576  133.225   11.799  131.864   19.337  134.032   14.893  138.951   10.269  140.321   7.8323 -1.369904 12.91521 
1 1 1    2   17    9 o  159.810   5.2642  174.615   11.322  182.334   15.355  165.419   16.761  163.745   6.9200  155.875   7.9349 7.869217 10.52849 
1 1 1    2   17   10 o  234.028   5.1210  373.306   16.173  381.198   22.028  364.078   23.821  236.764   6.8656  231.292   7.6001 5.471405 10.24197 
1 1 1    2   17   11 o  241.093   6.3763  408.496   19.223  430.493   23.453  363.470   33.554  251.601   6.8787  230.584   10.738 21.01744 12.75258 
1 1 1    2   17   12 o  190.010   6.4038  255.513   15.153  272.180   18.491  221.446   26.437  200.062   6.8206  179.959   10.841 20.10266 12.80769 
1 1 1    2   17   13 o   82.528   8.6237   41.372   8.9155   33.750   10.450   61.761   17.092   70.243   10.978   94.813   13.302 -24.57035 17.24731 
1 1 1    2   17   14 o  181.681   6.2423  214.737   14.171  199.923   16.771  251.700   26.493  171.417   7.2199  191.945   10.185 -20.52754 12.48454 
1 1 1    2   17   15 o  253.413   6.3328  427.549   20.119  411.506   24.021  465.243   36.821  245.926   7.2079  260.900   10.415 -14.97359 12.66558 
1 1 1    2   17   16 f  191.542   6.4461  255.409   15.667  265.852   19.282  235.126   26.874  197.664   7.1987  185.421   10.695 12.24345 12.89214 
1 1 1    2   17   17 o  121.211   7.7347  109.806   11.381  127.675   14.108   76.513   19.257  136.944   7.6024  105.478   13.473 31.46644 15.46946 
1 1 1    2   17   18 o   39.785   14.667   8.6946   10.425   8.6946   10.425   0.0000   0.0000   39.785   14.667  ?   ?       ?      ? 
1 1 1    2   17   19 o   37.708   14.042   7.5394   9.6029   7.5394   9.6029   0.0000   0.0000   37.708   14.042  ?   ?       ?      ? 
1 1 1    2   17   20 o  104.567   8.5789   82.719   10.357   92.240   12.296   59.474   19.213  116.373   7.7970   92.761   15.284 23.61150 17.15788 
1 1 1    2   17   21 o   90.011   9.2131   62.959   9.4776   73.141   11.553   42.004   16.574  103.591   8.2298   76.431   16.486 27.15965 18.42620 
1 1 1    2   17   22 o  195.990   6.2094  264.210   15.382  268.183   18.730  255.978   26.960  198.520   6.9622  193.460   10.284 5.060089 12.41875 
1 1 1    2   17   23 o  214.678   6.0868  304.533   16.503  288.506   19.767  341.397   29.980  205.880   7.0851  223.476   9.8995 -17.59589 12.17364 
1 1 1    2   17   24 o  252.542   6.2499  439.321   20.086  447.433   24.634  423.230   34.695  256.376   7.0905  248.708   10.294 7.668884 12.49990 
1 1 1    2   17   25 o   84.406   8.0669   45.594   8.8393   38.157   10.772   60.926   15.467   74.642   10.649   94.171   12.120 -19.52804 16.13380 
1 1 1    2   17   26 o  236.653   5.8546  381.917   16.144  381.836   18.583  382.166   32.598  237.003   5.7861  236.302   10.180 0.7018585 11.70930 
1 1 1    2   17   27 o  169.849   5.9175  195.317   11.773  193.819   13.561  199.899   23.719  168.833   5.9272  170.866   10.244 -2.032532 11.83498 
1 1 1    2   17   28 o  186.346   5.7940  231.977   12.797  226.898   14.780  247.187   25.575  182.658   5.9710  190.034   9.9311 -7.375687 11.58791 
1 1 1    2   17   29 o  162.951   7.1102  182.421   15.646  190.958   21.592  172.982   22.704  167.066   9.5373  158.837   10.548 8.228912 14.22034 
1 1 1    2   17   30 o  102.536   7.0781   74.381   8.5085   76.938   9.9181   67.254   16.558  106.280   6.8864   98.793   12.368 7.487862 14.15615 
1 1 1    2   17   31 o   81.784   7.8104   42.670   7.6438   39.331   8.7783   53.143   15.546   75.870   8.5380   87.699   13.081 -11.82876 15.62076 
1 1 1    2   17   32 o  101.231   7.1820   71.325   8.4485   72.340   9.7524   68.272   16.913  103.024   6.9854   99.439   12.551 3.585617 14.36404 
1 1 1    2   17   33 o   85.692   7.3624   46.662   7.7256   42.197   8.9733   59.450   15.187   78.564   8.4284   92.819   12.074 -14.25428 14.72487 
1 1 1    2   17   34 o   57.494   10.414   25.382   8.4666   32.623   10.771   13.676   13.696   67.748   12.180   47.240   16.895 20.50823 20.82766 
1 1 1    2   17   35 o  119.114   7.1462   95.492   10.936   91.404   13.349  103.835   19.070  115.560   8.5243  122.667   11.472 -7.107178 14.29236 
1 1 1    2   17   36 o   75.131   10.942   38.925   11.140   38.925   11.140   0.0000   0.0000   75.131   10.942  ?   ?       ?      ? 
1 1 1    2   17   37 o  164.378   5.8154  177.577   11.248  170.464   12.894  200.238   23.012  158.166   6.0156  170.589   9.9544 -12.42381 11.63087 
1 1 1    2   17   38 o   72.458   8.8318   36.685   7.4882   36.181   8.7473   38.069   14.487   72.599   8.8911   72.317   15.263 0.2823105 17.66356 
1 1 1    2   17   39 o  160.184   5.7878  165.351   10.980  155.156   12.575  198.067   22.527  150.822   6.1528  169.545   9.8049 -18.72260 11.57553 
1 1 1    2   17   40 o  142.008   6.5074  149.886   10.660  162.476   12.525  116.794   20.307  154.335   5.9887  129.681   11.555 24.65466 13.01488 
1 1 1    2   17   41 o   71.866   9.3663   35.606   9.1217   35.606   9.1217   0.0000   0.0000   71.866   9.3663  ?   ?       ?      ? 
1 1 1    2   17   42 o   52.307   12.230   19.856   8.5138   19.856   8.5138   0.0000   0.0000   52.307   12.230  ?   ?       ?      ? 
1 1 1    2   17   43 o   54.632   9.4545   23.131   6.9743   27.191   8.4649   14.549   12.306   62.647   9.9710   46.617   16.066 16.02984 18.90903 
1 1 1    2   17   44 o  119.375   6.4747  101.720   9.2777  105.880   10.980   91.336   17.347  124.368   6.5151  114.381   11.191 9.987000 12.94943 
1 1 1    2   17   45 o   77.229   8.1494   42.989   7.4580   43.900   8.8855   40.818   13.719   79.798   8.2169   74.661   14.076 5.136986 16.29889 
1 1 1    2   17   46 o   71.917   8.1062   36.275   7.0616   35.416   8.4354   38.285   12.910   71.550   8.6998   72.283   13.681 -0.7324677 16.21249 
1 1 1    2   17   47 o   87.742   7.3313   55.631   7.8222   58.281   9.3574   49.483   14.253   91.976   7.5076   83.509   12.595 8.466942 14.66250 
1 1 1    2   17   48 o   46.510   9.9344   15.665   6.4912   15.758   7.8226   15.459   11.632   46.296   12.271   46.725   15.627 -0.4286957 19.86877 
1 1 1    2   17   49 o   77.681   8.0239   43.368   7.4754   43.643   8.9426   42.732   13.620   79.322   8.3193   76.040   13.723 3.282364 16.04774 
1 1 1    2   17   50 o   88.827   7.4840   59.609   7.8926   65.317   9.4626   46.559   14.308   97.267   7.1789   80.388   13.134 16.87927 14.96807 
1 1 1    2   17   51 o   64.496   8.4575   27.033   6.8897   20.631   8.2663   41.599   12.469   52.794   11.846   76.199   12.075 -23.40550 16.91509 
1 1 1    2   17   52 o   55.793   10.352   18.545   9.1581   45.385   14.943   2.3974   11.590   77.354   14.794   34.232   14.483 43.12210 20.70323 
1 1 1    2   17   53 o   73.184   10.344   41.128   9.9253   35.652   15.078   45.314   13.185   67.248   16.637   79.120   12.297 -11.87164 20.68836 
1 1 1    2   17   54 o   41.101   11.117   10.376   8.6410   7.5462   13.657   12.266   11.158   39.928   16.193   42.273   15.236 -2.345295 22.23377 
1 1 1    2   17   55 o  130.091   6.5140  118.654   11.255  114.525   14.443  125.038   17.959  127.727   8.3441  132.456   10.005 -4.728500 13.02809 
1 1 1    2   17   56 o   52.902   11.737   22.026   9.2458   23.920   14.524   20.736   11.989   54.498   17.414   51.306   15.741 3.191742 23.47396 
1 1 1    2   17   57 o   61.558   9.9898   26.130   7.4253   38.855   14.621   21.707   8.6196   69.706   15.838   53.409   12.179 16.29736 19.97962 
1 1 1    2   17   58 o   46.097   11.499   15.651   8.9031   19.882   13.659   12.525   11.740   49.995   16.933   42.198   15.563 7.797039 22.99831 
1 1 1    2   17   59 o  115.962   7.9259   99.242   12.303   83.653   17.542  114.333   17.259  106.126   12.198  125.798   10.124 -19.67285 15.85174 
1 1 1    2   17   60 o   54.928   11.095   25.090   9.3953   13.160   13.938   35.025   12.720   43.522   16.754   66.334   14.550 -22.81166 22.19052 
1 1 1    2   17   61 o  126.508   10.664  117.139   18.282   0.0000   0.0000  117.139   18.282  ?   ?   126.508   10.664      ?      ? 
1 1 1    2   17   62 o   54.256   16.063   24.535   12.644   0.0000   0.0000   24.535   12.644  ?   ?    54.256   16.063      ?      ? 
1 1 1    2   17   63 o   52.333   11.229   22.792   8.6699   24.742   12.472   20.969   12.061   54.371   15.912   50.295   15.848 4.076012 22.45776 
1 1 1    2   17   64 o   49.754   11.344   20.533   8.8008   16.624   12.291   24.646   12.608   45.502   16.033   54.007   16.051 -8.505795 22.68710 
1 1 1    2   17   65 o   53.375   11.156   23.806   8.9218   16.547   12.345   31.743   12.909   45.233   16.054   61.517   15.493 -16.28418 22.31121 
1 1 1    2   17   66 o   59.300   11.177   29.999   9.1497   28.089   12.715   32.049   13.176   57.268   15.848   61.332   15.767 -4.063858 22.35462 
1 1 1    2   17   67 o   37.474   9.8326   3.7432   8.1224 -11.5352   10.999   22.070   12.046   24.386   11.677   50.562   15.823 -26.17633 19.66512 
1 1 1    2   17   68 o   30.458   9.5316  -0.0178   7.8445  -3.6449   10.863   3.9349   11.340   27.807   12.744   33.109   14.177 -5.302086 19.06328 
1 1 1    2   17   69 o   34.540   9.9421   4.9026   8.0410   13.833   11.003  -5.3334   11.780   41.197   15.086   27.883   12.953 13.31454 19.88412 
1 1 1    2   17   70 o   51.306   11.101   22.480   9.1510   11.203   12.293   36.494   13.704   38.798   15.493   63.815   15.904 -25.01762 22.20290 
1 1 1    2   17   71 o   43.256   11.180   15.486   8.8593   8.3190   11.919   24.335   13.244   35.942   14.910   50.570   16.665 -14.62829 22.36095 
1 1 1    2   17   72 o   34.833   9.8216  -1.3298   8.5960 -19.9598   11.490   22.349   12.954   21.592   10.676   48.073   16.489 -26.48135 19.64312 
1 1 1    2   17   73 o   40.889   11.216   15.091   8.8772   12.775   12.069   17.820   13.103   38.702   15.384   43.076   16.325 -4.373268 22.43158 
1 1 1    2   17   74 o   62.548   16.395   38.759   14.065   38.759   14.065   0.0000   0.0000   62.548   16.395  ?   ?       ?      ? 
1 1 1    2   17   75 o   35.205   14.905   9.6517   12.289   9.6517   12.289   0.0000   0.0000   35.205   14.905  ?   ?       ?      ? 
1 1 1    2   18    0 o  207.468   5.0837  292.794   14.239  290.914   19.287  295.047   21.110  206.776   6.8831  208.160   7.4834 -1.384705 10.16746 
1 1 1    2   18    1 o  109.561   6.2576   83.113   9.1401   91.339   12.296   72.954   13.664  115.791   7.8360  103.331   9.7585 12.46088 12.51523 
1 1 1    2   18    2 o  265.114   5.1886  478.804   18.602  483.495   25.571  473.529   27.112  266.538   7.0795  263.690   7.5874 2.847809 10.37729 
1 1 1    2   18    3 o  146.371   5.4273  144.542   10.698  134.205   14.193  158.137   16.278  140.390   7.4605  152.351   7.8843 -11.96057 10.85457 
1 1 1    2   18    4 o  115.392   5.9849   90.953   9.2598   91.920   12.275   89.677   14.106  116.160   7.7979  114.623   9.0813 1.536163 11.96983 
1 1 1    2   18    5 o  159.182   5.2671  171.992   11.300  167.544   15.125  177.611   17.000  156.894   7.1138  161.469   7.7692 -4.574692 10.53410 
1 1 1    2   18    6 o  116.706   5.8495   92.629   9.1791   91.094   12.196   94.634   13.941  115.634   7.7829  117.777   8.7346 -2.142990 11.69897 
1 1 1    2   18    7 o  125.197   5.6816  106.457   9.5792  103.684   12.778  110.016   14.475  123.377   7.6424  127.018   8.4093 -3.640831 11.36321 
1 1 1    2   18    8 o  206.566   5.1149  289.684   14.252  282.481   19.149  298.626   21.337  203.736   6.9359  209.397   7.5195 -5.661011 10.22978 
1 1 1    2   18    9 o  221.104   5.1457  334.197   15.348  351.814   21.102  314.410   22.364  227.376   6.8484  214.831   7.6819 12.54559 10.29137 
1 1 1    2   18   10 o   64.245   10.403   22.541   8.4181   12.875   9.7465   50.929   16.702   43.887   14.288   84.604   15.123 -40.71709 20.80551 
1 1 1    2   18   11 f  161.033   6.6623  179.676   13.247  183.449   15.860  170.972   24.088  164.153   7.1299  157.913   11.257 6.239578 13.32467 
1 1 1    2   18   12 o  184.185   6.9899  230.926   17.447  230.926   17.447   0.0000   0.0000  184.185   6.9899  ?   ?       ?      ? 
1 1 1    2   18   13 o  114.320   7.1229   82.548   8.7912   78.441   9.7123  101.172   20.683  107.366   6.6753  121.274   12.585 -13.90800 14.24587 
1 1 1    2   18   14 o   91.675   9.3250   68.605   8.4284   75.594   9.5495   43.973   17.928  105.395   6.6861   77.955   17.410 27.43995 18.65007 
1 1 1    2   18   15 o  310.648   6.3517  666.263   22.594  672.695   25.869  645.575   46.394  314.514   6.0694  306.782   11.160 7.732635 12.70334 
1 1 1    2   18   16 o   65.744   10.173   30.974   7.3815   31.446   8.2442   29.069   16.575   67.850   8.9664   63.638   18.264 4.212265 20.34629 
1 1 1    2   18   17 o   78.596   8.7441   40.250   7.5183   38.063   8.4386   48.666   16.556   74.684   8.3380   82.509   15.373 -7.824448 17.48824 
1 1 1    2   18   18 o   99.560   7.6320   70.470   8.5381   72.611   9.7574   63.474   17.639  103.257   6.9732   95.863   13.578 7.393867 15.26392 
1 1 1    2   18   19 o  150.005   6.0827  147.752   10.544  142.631   11.994  165.177   22.123  144.797   6.1126  155.213   10.518 -10.41629 12.16535 
1 1 1    2   18   20 o  174.379   5.9983  204.949   11.965  202.629   13.621  212.790   25.037  172.609   5.8231  176.149   10.489 -3.539978 11.99660 
1 1 1    2   18   21 o  100.415   7.2219   63.576   8.4272   58.885   9.5395   80.248   17.983   92.922   7.5757  107.908   12.298 -14.98592 14.44385 
1 1 1    2   18   22 o  107.541   7.4017   84.758   8.8448   89.464   10.140   69.787   18.087  114.623   6.5280  100.459   13.286 14.16358 14.80335 
1 1 1    2   18   23 o   38.587   10.679   3.8274   8.9289   13.351   12.061  -7.7228   13.282   45.827   15.899   31.347   14.262 14.47992 21.35838 
1 1 1    2   18   24 o   31.794   10.004  -4.3940   8.6572  -5.9601   11.754  -2.5373   12.799   30.010   13.559   33.579   14.714 -3.568590 20.00846 
1 1 1    2   18   25 o   74.832   8.2276   30.440   7.2291   20.695   8.2298   63.357   15.126   53.798   11.628   95.865   11.643 -42.06702 16.45514 
1 1 1    2   18   26 o   82.174   7.7002   40.851   7.7040   34.655   8.8574   60.103   15.613   71.115   9.1910   93.234   12.357 -22.11884 15.40043 
1 1 1    2   18   27 o  219.414   5.8502  326.284   14.985  323.368   17.230  335.337   30.359  217.943   5.8339  220.886   10.142 -2.942932 11.70038 
1 1 1    2   18   28 o  167.445   6.4333  192.393   13.796  192.659   16.956  191.871   23.732  167.945   7.4502  166.944   10.490 1.001144 12.86661 
1 1 1    2   18   29 o  108.465   7.3649   82.205   10.322   85.222   12.937   76.920   17.122  111.529   8.5595  105.400   11.988 6.129295 14.72982 
1 1 1    2   18   30 o  139.460   6.2061  131.160   10.201  128.905   11.765  137.993   20.480  137.493   6.3142  141.427   10.686 -3.933441 12.41212 
1 1 1    2   18   31 f   99.059   7.1972   68.513   8.3555   69.427   9.6857   65.853   16.520  100.802   7.0905   97.316   12.527 3.485970 14.39446 
1 1 1    2   18   32 o   54.666   9.7526   22.587   6.8724   24.776   7.9772   16.284   13.535   59.965   9.8169   49.368   16.855 10.59652 19.50526 
1 1 1    2   18   33 o   64.078   9.1550   29.041   7.0651   28.823   8.3182   29.606   13.386   64.686   9.4893   63.471   15.659 1.214920 18.31006 
1 1 1    2   18   34 o  100.558   6.9426   68.761   8.5313   67.420   10.045   72.235   16.162   99.214   7.4711  101.902   11.704 -2.688820 13.88520 
1 1 1    2   18   35 o  216.848   5.8784  319.351   14.933  315.641   17.194  330.741   30.129  215.067   5.8996  218.628   10.169 -3.560898 11.75675 
1 1 1    2   18   36 o   31.860   12.538   4.3228   7.9434   4.3228   7.9434   0.0000   0.0000   31.860   12.538  ?   ?       ?      ? 
1 1 1    2   18   37 o   71.040   9.1052   34.844   8.7654   34.844   8.7654   0.0000   0.0000   71.040   9.1052  ?   ?       ?      ? 
1 1 1    2   18   38 o   73.047   9.4387   43.597   7.5971   48.768   8.8162   28.680   14.973   84.230   7.7238   61.863   17.225 22.36697 18.87735 
1 1 1    2   18   39 o   86.383   7.1691   45.096   7.6118   36.939   8.7923   69.503   15.209   73.098   8.8759   99.667   11.261 -26.56873 14.33816 
1 1 1    2   18   40 o   36.807   9.8906   7.4472   6.5177   8.4743   7.7912   5.0527   11.896   36.389   12.770   37.226   15.107 -0.8368759 19.78115 
1 1 1    2   18   41 o   28.236   12.594  -3.1274   9.7853  -3.1274   9.7853   0.0000   0.0000   28.236   12.594  ?   ?       ?      ? 
1 1 1    2   18   42 o   81.769   8.0922   46.221   8.9668   46.221   8.9668   0.0000   0.0000   81.769   8.0922  ?   ?       ?      ? 
1 1 1    2   18   43 o   43.209   8.9842   14.589   6.5280   21.244   7.7270  -2.0038   12.201   54.059   10.924   32.358   14.267 21.70039 17.96842 
1 1 1    2   18   44 o   76.009   8.5778   44.094   7.4418   47.058   8.7920   36.607   13.975   82.448   7.8691   69.570   15.244 12.87836 17.15553 
1 1 1    2   18   45 o   69.578   8.9407   37.472   7.2471   40.321   8.5919   30.445   13.492   76.164   8.3244   62.992   15.825 13.17210 17.88131 
1 1 1    2   18   46 o   52.804   9.9618   19.868   6.8802   17.453   8.3064   25.145   12.280   48.368   12.561   57.240   15.465 -8.871437 19.92356 
1 1 1    2   18   47 o   75.094   10.600   44.426   10.458   28.557   15.365   58.123   14.274   60.137   17.680   90.052   11.697 -29.91478 21.19914 
1 1 1    2   18   48 o   60.940   11.210   29.879   9.7228   19.241   14.617   38.321   13.021   50.727   17.508   71.152   14.003 -20.42479 22.41944 
1 1 1    2   18   49 o   65.994   11.374   34.186   10.039   35.334   14.988   33.252   13.521   66.731   16.634   65.257   15.516 1.473709 22.74710 
1 1 1    2   18   50 o   47.703   10.677   15.645   7.8963   9.1380   10.118   25.783   12.629   38.265   14.381   57.140   15.786 -18.87471 21.35486 
1 1 1    2   18   51 o   35.578   9.4331   0.1402   7.3108 -12.1820   9.4605   18.408   11.519   22.403   10.754   48.753   15.501 -26.35064 18.86611 
1 1 1    2   18   52 o   94.742   7.4633   63.872   9.3170   61.258   11.779   68.240   15.228   92.787   9.3679   96.697   11.621 -3.909721 14.92656 
1 1 1    2   18   53 f   31.821   8.8374  -2.5100   7.2993   13.633   9.7407 -23.1847   11.023   42.662   14.300   20.979   10.388 21.68277 17.67487 
1 1 1    2   18   54 o   42.266   14.427   13.353   9.9163   13.353   9.9163   0.0000   0.0000   42.266   14.427  ?   ?       ?      ? 
1 1 1    2   18   55 o   48.998   14.393   19.037   10.187   19.037   10.187   0.0000   0.0000   48.998   14.393  ?   ?       ?      ? 
1 1 1    2   18   56 o   70.677   11.414   36.866   10.932   36.866   10.932   0.0000   0.0000   70.677   11.414  ?   ?       ?      ? 
1 1 1    2   18   57 o   37.781   16.008   5.5135   14.193   5.5135   14.193   0.0000   0.0000   37.781   16.008  ?   ?       ?      ? 
1 1 1    2   18   58 o   32.265   14.551  -2.3402   13.464  -2.3402   13.464   0.0000   0.0000   32.265   14.551  ?   ?       ?      ? 
1 1 1    2   18   59 o   57.557   13.278   26.259   10.146   26.259   10.146   0.0000   0.0000   57.557   13.278  ?   ?       ?      ? 
1 1 1    2   18   60 o   57.506   12.902   26.120   9.8074   26.120   9.8074   0.0000   0.0000   57.506   12.902  ?   ?       ?      ? 
1 1 1    2   18   61 o   27.618   11.970   0.7493   8.2753   0.7493   8.2753   0.0000   0.0000   27.618   11.970  ?   ?       ?      ? 
1 1 1    2   18   62 f   42.823   15.544   14.463   11.644   14.463   11.644   0.0000   0.0000   42.823   15.544  ?   ?       ?      ? 
1 1 1    2   18   63 o   65.435   10.958   36.354   9.5637   35.619   13.322   37.135   13.738   64.820   15.395   66.050   15.598 -1.229683 21.91557 
1 1 1    2   18   64 o   28.831   9.2433  -2.2921   7.8133  -3.4046   11.140  -1.2150   10.961   28.310   12.950   29.353   13.193 -1.043329 18.48668 
1 1 1    2   18   65 o   28.995   9.3023  -2.1749   7.9584  -0.0481   11.020  -4.4934   11.506   29.967   13.366   28.022   12.942 1.944813 18.60469 
1 1 1    2   18   66 o   32.771   10.022   3.7522   8.1669   3.2968   11.457   4.2225   11.645   32.372   14.057   33.170   14.288 -0.7981300 20.04379 
1 1 1    2   18   67 f   47.628   10.718   18.529   8.7946   5.9834   11.928   33.474   13.018   34.345   14.619   60.910   15.679 -26.56430 21.43694 
1 1 1    2   18   68 o   31.450   9.3552  -0.1433   7.9652   13.357   10.845 -15.9532   11.736   39.732   14.898   23.169   11.320 16.56327 18.71046 
1 1 1    2   18   69 o   34.503   10.301   7.3627   8.2208   6.9324   11.022   7.9022   12.341   33.767   14.196   35.240   14.929 -1.472065 20.60151 
1 1 1    2   18   70 o   36.447   10.549   9.8486   8.4214   5.2576   11.590   14.984   12.258   32.548   14.136   40.346   15.662 -7.798519 21.09787 
1 1 1    2   18   71 o   41.631   11.071   16.824   8.9115   22.763   12.181   9.9846   13.071   47.242   15.991   36.021   15.317 11.22097 22.14292 
1 1 1    2   19    0 o   98.294   8.3458   67.385   10.011   68.559   11.886   64.518   18.571  100.141   8.7586   96.447   14.209 3.694817 16.69150 
1 1 1    2   19    1 o   99.573   9.0917   67.983   12.218   62.984   16.402   74.215   18.313   95.517   12.672  103.628   13.041 -8.110558 18.18335 
1 1 1    2   19    2 o   48.069   12.221   13.982   10.183   16.498   13.357   10.491   15.736   49.870   16.745   46.268   17.805 3.601654 24.44220 
1 1 1    2   19    3 o  100.682   9.2174   70.159   12.375   70.606   16.161   69.525   19.239  101.253   11.778  100.112   14.181 1.141113 18.43470 
1 1 1    2   19    4 o   55.803   11.256   22.270   8.8794   22.206   13.513   22.319   11.780   55.887   16.619   55.719   15.186 0.1677551 22.51201 
1 1 1    2   19    5 f  104.378   7.6072   73.750   10.597   80.997   16.783   68.943   13.666  108.491   11.415  100.265   10.058 8.225182 15.21431 
1 1 1    2   19    6 o   54.456   9.9817   21.639   7.4024   23.685   9.6250   18.677   11.582   57.480   12.696   51.432   15.407 6.047966 19.96349 
1 1 1    2   19    7 o  131.250   5.7146  118.715   10.053  126.940   13.569  108.705   14.968  136.426   7.3396  126.073   8.7613 10.35360 11.42929 
1 1 1    2   19    8 o   98.898   6.6377   65.577   8.8013   56.011   11.525   78.960   13.632   90.427   9.4053  107.370   9.3690 -16.94260 13.27544 
1 1 1    2   19    9 o   90.794   7.0986   55.834   8.6776   49.545   11.533   64.042   13.174   84.979   10.015   96.609   10.063 -11.62952 14.19716 
1 1 1    2   19   10 o   29.788   9.0811  -4.7949   7.0697 -12.5805   9.3662   5.5144   10.778   22.655   10.829   36.921   14.581 -14.26530 18.16211 
1 1 1    2   19   11 o   85.978   7.1835   50.471   8.3101   48.501   11.024   53.064   12.647   84.098   9.6733   87.858   10.622 -3.759270 14.36691 
1 1 1    2   19   12 o  132.900   6.9931  120.423   11.392  119.361   13.471  123.090   21.347  132.234   7.5174  133.565   11.794 -1.330521 13.98626 
1 1 1    2   19   13 o   65.851   9.8288   37.072   7.2490   42.112   8.1881   18.803   15.589   78.525   7.6948   53.177   18.089 25.34789 19.65770 
1 1 1    2   19   14 o   82.878   7.8838   40.406   7.4517   35.386   8.3058   61.117   16.870   71.909   8.5234   93.848   13.265 -21.93855 15.76766 
1 1 1    2   19   15 o   43.160   9.9849   13.354   6.5720   16.257   7.3636   1.9856   14.571   47.608   11.535   38.713   16.301 8.894894 19.96975 
1 1 1    2   19   16 o   74.889   9.5499   42.038   7.5191   43.693   8.4547   35.778   16.445   79.952   7.8034   69.825   17.433 10.12669 19.09985 
1 1 1    2   19   17 o   39.607   10.270   9.4214   6.7983   11.692   7.6800   1.2000   14.614   41.009   12.601   38.205   16.219 2.803638 20.53915 
1 1 1    2   19   18 o  207.493   7.2549  295.431   20.320  286.176   27.376  306.785   30.321  203.998   9.9030  210.988   10.605 -6.990295 14.50980 
1 1 1    2   19   19 o   47.275   10.997   13.931   7.0206   13.027   7.8850   17.389   15.422   42.941   12.677   51.608   17.974 -8.667450 21.99487 
1 1 1    2   19   20 o   44.552   10.377   13.759   6.8130   15.376   7.7717   8.3917   14.160   46.256   12.217   42.849   16.777 3.406895 20.75416 
1 1 1    2   19   21 o   98.232   7.8770   71.230   8.6987   75.463   10.035   58.434   17.446  105.099   7.0460   91.365   14.090 13.73406 15.75393 
1 1 1    2   19   22 o  121.387   7.1221  101.555   10.974  101.503   13.367  101.663   19.217  121.707   8.1048  121.066   11.714 0.6406174 14.24419 
1 1 1    2   19   23 o   34.402   10.278   1.2019   7.7879   0.0754   9.5015   3.5078   13.594   30.379   12.992   38.425   15.930 -8.046360 20.55599 
1 1 1    2   19   24 o   77.529   9.4635   43.990   8.0831   45.056   9.2475   40.538   16.640   81.014   8.4233   74.044   16.949 6.969917 18.92693 
1 1 1    2   19   25 o   86.419   7.7028   46.704   7.9359   41.801   9.0595   62.874   16.453   77.995   8.5715   94.844   12.801 -16.84906 15.40569 
1 1 1    2   19   26 o  144.246   6.3654  141.615   10.727  140.013   12.336  146.583   21.720  143.170   6.3585  145.321   11.029 -2.151077 12.73084 
1 1 1    2   19   27 o  149.856   6.3933  156.990   11.109  159.190   12.814  150.335   22.290  152.668   6.1939  147.044   11.186 5.623489 12.78657 
1 1 1    2   19   28 o   56.119   10.402   18.903   7.3007   13.754   8.4091   34.663   14.712   43.904   13.122   68.334   16.144 -24.42992 20.80450 
1 1 1    2   19   29 o  127.437   6.2501  101.539   9.5076   91.308   10.866  134.952   19.637  115.452   6.9453  139.422   10.393 -23.97002 12.50024 
1 1 1    2   19   30 o   70.577   9.0221   34.741   7.3735   33.765   8.5262   37.635   14.685   69.919   8.9986   71.235   15.640 -1.315811 18.04428 
1 1 1    2   19   31 o  106.614   6.9149   77.937   9.9904   77.937   9.9904   0.0000   0.0000  106.614   6.9149  ?   ?       ?      ? 
1 1 1    2   19   32 o   48.205   11.873   16.948   7.7048   16.948   7.7048   0.0000   0.0000   48.205   11.873  ?   ?       ?      ? 
1 1 1    2   19   33 o   44.687   10.151   11.372   6.3806   7.8008   7.3943   21.786   12.626   35.169   12.431   54.204   16.052 -19.03453 20.30286 
1 1 1    2   19   34 o   55.307   9.9872   21.963   6.8248   21.323   7.9067   23.834   13.517   54.218   11.134   56.396   16.583 -2.178673 19.97437 
1 1 1    2   19   35 o   59.685   9.5139   23.960   6.8078   21.071   7.8968   32.320   13.435   53.828   11.191   65.541   15.389 -11.71297 19.02781 
1 1 1    2   19   36 o   47.737   10.292   15.975   6.5814   15.426   7.5793   17.655   13.270   45.825   12.046   49.649   16.690 -3.824978 20.58344 
1 1 1    2   19   37 o   93.554   7.4342   64.481   8.1308   67.940   9.5378   55.283   15.554   99.292   7.0885   87.816   13.070 11.47573 14.86837 
1 1 1    2   19   38 o   57.675   9.8829   25.991   7.7240   30.149   9.5885   18.306   13.036   65.347   10.828   50.004   16.536 15.34356 19.76572 
1 1 1    2   19   39 o   46.498   10.298   13.096   7.1013   7.4662   8.5930   25.223   12.611   35.611   13.279   57.384   15.743 -21.77258 20.59544 
1 1 1    2   19   40 o   45.749   10.575   14.446   7.2820   12.098   9.0131   18.860   12.358   41.325   13.754   50.173   16.066 -8.848560 21.14953 
1 1 1    2   19   41 o  104.019   7.0313   74.044   9.4503   69.008   11.564   84.171   16.398   99.387   8.5858  108.652   11.137 -9.264832 14.06262 
1 1 1    2   19   42 o   26.868   8.5841  -3.6483   6.6033  -0.8985   8.2630  -8.5078   10.984   27.060   11.841   26.677   12.432 0.3832321 17.16825 
1 1 1    2   19   43 o   67.692   9.4854   32.970   8.4655   25.177   10.970   44.445   13.312   57.247   14.207   78.136   12.572 -20.88908 18.97073 
1 1 1    2   19   44 o   47.651   10.533   17.490   7.7331   21.090   10.212   12.650   11.840   52.326   14.089   42.975   15.662 9.351170 21.06663 
1 1 1    2   19   45 o   43.016   10.559   13.454   7.5669   15.398   9.8113   10.601   11.888   45.126   14.301   40.906   15.539 4.219574 21.11834 
1 1 1    2   19   46 o   25.756   8.4090  -5.9139   6.8080  -4.2699   8.8684  -8.2730   10.623   25.493   11.620   26.019   12.159 -0.5261021 16.81803 
1 1 1    2   19   47 o   53.855   13.652   22.545   9.9763   22.545   9.9763   0.0000   0.0000   53.855   13.652  ?   ?       ?      ? 
1 1 1    2   19   48 o   42.209   14.270   13.279   9.7001   13.279   9.7001   0.0000   0.0000   42.209   14.270  ?   ?       ?      ? 
1 1 1    2   19   49 o   62.579   9.4071   33.956   8.4474   50.750   11.069   10.536   13.072   84.071   9.7162   41.088   16.111 42.98293 18.81413 
1 1 1    2   19   50 o   33.100   13.484   4.8756   9.5214   4.8756   9.5214   0.0000   0.0000   33.100   13.484  ?   ?       ?      ? 
1 1 1    2   19   51 o   53.108   13.965   22.416   10.184   22.416   10.184   0.0000   0.0000   53.108   13.965  ?   ?       ?      ? 
1 1 1    2   19   52 o   55.030   16.777   25.410   13.646   25.410   13.646   0.0000   0.0000   55.030   16.777  ?   ?       ?      ? 
1 1 1    2   19   53 o   52.796   17.005   23.481   13.829   23.481   13.829   0.0000   0.0000   52.796   17.005  ?   ?       ?      ? 
1 1 1    2   19   54 o   48.056   16.389   18.901   12.796   18.901   12.796   0.0000   0.0000   48.056   16.389  ?   ?       ?      ? 
1 1 1    2   19   55 o   37.384   13.548   10.001   8.8407   10.001   8.8407   0.0000   0.0000   37.384   13.548  ?   ?       ?      ? 
1 1 1    2   19   56 o   55.450   12.790   24.327   9.4148   24.327   9.4148   0.0000   0.0000   55.450   12.790  ?   ?       ?      ? 
1 1 1    2   19   57 o   53.016   13.076   22.524   9.3357   22.524   9.3357   0.0000   0.0000   53.016   13.076  ?   ?       ?      ? 
1 1 1    2   19   58 o   64.333   11.754   32.112   9.8700   32.112   9.8700   0.0000   0.0000   64.333   11.754  ?   ?       ?      ? 
1 1 1    2   19   59 o   36.871   13.608   9.9262   8.9780   9.9262   8.9780   0.0000   0.0000   36.871   13.608  ?   ?       ?      ? 
1 1 1    2   19   60 o   40.202   13.883   12.920   9.1911   12.920   9.1911   0.0000   0.0000   40.202   13.883  ?   ?       ?      ? 
1 1 1    2   19   61 o   70.256   10.897   37.594   10.375   37.594   10.375   0.0000   0.0000   70.256   10.897  ?   ?       ?      ? 
1 1 1    2   19   62 o   36.502   13.363   10.235   8.6318   10.235   8.6318   0.0000   0.0000   36.502   13.363  ?   ?       ?      ? 
1 1 1    2   19   63 f   39.658   13.437   13.073   8.6012   13.073   8.6012   0.0000   0.0000   39.658   13.437  ?   ?       ?      ? 
1 1 1    2   19   64 o   42.499   13.723   15.642   9.0017   15.642   9.0017   0.0000   0.0000   42.499   13.723  ?   ?       ?      ? 
1 1 1    2   19   65 o   26.052   11.589   0.1401   8.2258   0.1401   8.2258   0.0000   0.0000   26.052   11.589  ?   ?       ?      ? 
1 1 1    2   19   66 o   26.686   11.765   1.1414   8.2960   1.1414   8.2960   0.0000   0.0000   26.686   11.765  ?   ?       ?      ? 
1 1 1    2   19   67 o   40.153   13.691   14.665   8.9301   14.665   8.9301   0.0000   0.0000   40.153   13.691  ?   ?       ?      ? 
1 1 1    2   20    0 o   86.841   7.1527   52.301   8.3108   53.945   11.024   50.135   12.650   88.567   9.1848   85.115   10.967 3.451736 14.30537 
1 1 1    2   20    1 o   93.584   6.7899   59.804   8.5496   56.295   11.313   64.478   13.056   90.467   9.2277   96.701   9.9630 -6.233246 13.57979 
1 1 1    2   20    2 o  119.050   6.1521   99.281   9.7184  112.419   13.115   83.280   14.473  128.157   7.5515  109.942   9.7144 18.21481 12.30429 
1 1 1    2   20    3 o  100.905   6.7124   71.013   9.0148   76.102   11.965   64.331   13.710  105.317   8.3835   96.492   10.485 8.825424 13.42473 
1 1 1    2   20    4 f   82.833   7.3957   47.032   8.2178   44.897   10.780   49.995   12.698   80.696   9.8575   84.970   11.028 -4.274208 14.79147 
1 1 1    2   20    5 o   94.364   6.7497   61.871   8.5086   65.091   11.315   57.680   12.908   97.363   8.5758   91.365   10.425 5.997948 13.49939 
1 1 1    2   20    6 o   39.651   9.4705   8.8661   7.0463   17.498   9.1596  -3.6477   11.028   49.196   13.384   30.105   13.403 19.09145 18.94108 
1 1 1    2   20    7 o   62.556   9.4652   27.957   7.6889   25.855   9.9958   31.004   12.033   59.812   12.724   65.301   14.017 -5.489288 18.93040 
1 1 1    2   20    8 o   43.920   9.8757   13.140   7.2044   19.676   9.4123   3.8937   11.195   52.048   13.296   35.792   14.606 16.25607 19.75139 
1 1 1    2   20    9 o   43.414   10.385   11.372   7.3530   6.7224   9.5471   18.151   11.528   36.417   13.903   50.411   15.430 -13.99433 20.77019 
1 1 1    2   20   10 f   50.463   10.470   18.280   7.5695   17.846   9.9907   18.865   11.598   49.692   14.153   51.234   15.433 -1.541714 20.94032 
1 1 1    2   20   11 o   45.434   10.913   14.202   8.2641   18.556   9.8035   3.5100   15.362   50.559   13.884   40.310   16.841 10.24853 21.82649 
1 1 1    2   20   12 o  108.579   9.0457   84.550   12.953   98.717   17.558   67.630   19.188  119.294   10.861   97.864   14.469 21.42991 18.09143 
1 1 1    2   20   13 o   54.280   10.723   22.165   7.4188   23.560   8.3618   17.005   16.081   57.316   11.167   51.245   18.309 6.070984 21.44590 
1 1 1    2   20   14 o   79.010   9.8154   45.908   9.1288   47.481   10.815   42.011   17.026   82.908   9.6258   75.113   17.109 7.795425 19.63089 
1 1 1    2   20   15 o  103.568   8.3470   79.114   10.351   85.158   12.377   65.053   18.879  111.305   8.2058   95.831   14.538 15.47401 16.69392 
1 1 1    2   20   16 o   67.502   10.385   28.900   8.5926   21.950   10.083   47.337   16.422   54.762   13.639   80.243   15.664 -25.48179 20.76956 
1 1 1    2   20   17 o   45.546   10.694   9.8549   6.7888   5.8140   7.6533   24.771   14.704   33.125   12.496   57.966   17.358 -24.84108 21.38822 
1 1 1    2   20   18 o  132.726   6.3729  108.574   9.6913   98.576   10.871  147.283   21.390  119.995   6.6854  145.457   10.852 -25.46140 12.74585 
1 1 1    2   20   19 o   91.127   7.8665   56.806   8.0916   55.903   9.1619   60.012   17.252   90.228   7.4931   92.026   13.834 -1.798515 15.73292 
1 1 1    2   20   20 o   89.218   7.8003   54.371   7.9702   53.351   9.0734   57.816   16.677   88.109   7.5992   90.327   13.625 -2.217888 15.60061 
1 1 1    2   20   21 o   87.567   9.0426   61.586   8.2263   67.482   9.4568   43.249   16.678   99.173   7.0367   75.961   16.660 23.21244 18.08529 
1 1 1    2   20   22 o   26.140   8.4204  -4.6959   6.4123   0.2543   7.3085 -21.2470   13.364   26.765   11.419   25.515   12.378 1.249866 16.84080 
1 1 1    2   20   23 o   78.683   8.1743   37.903   7.6759   32.540   8.7316   56.146   16.104   68.478   9.4093   88.888   13.369 -20.40998 16.34860 
1 1 1    2   20   24 o  174.584   6.1317  207.422   12.321  204.329   14.063  217.639   25.557  172.776   6.0063  176.393   10.692 -3.616440 12.26338 
1 1 1    2   20   25 o   83.121   8.1731   47.733   9.2062   47.733   9.2062   0.0000   0.0000   83.121   8.1731  ?   ?       ?      ? 
1 1 1    2   20   26 o   44.976   12.475   14.805   7.8699   14.805   7.8699   0.0000   0.0000   44.976   12.475  ?   ?       ?      ? 
1 1 1    2   20   27 o   30.276   8.7877   1.4675   6.3319   7.3844   7.2875 -16.7608   12.791   34.426   12.323   26.125   12.532 8.300354 17.57539 
1 1 1    2   20   28 o   68.050   9.0118   28.740   7.1128   23.407   8.1050   46.611   14.836   56.803   10.926   79.296   14.334 -22.49310 18.02354 
1 1 1    2   20   29 o   89.274   8.2667   60.198   8.1121   63.325   9.4009   51.081   16.052   95.812   7.2405   82.735   14.864 13.07696 16.53338 
1 1 1    2   20   30 f   47.415   10.402   13.730   6.5668   10.530   7.5141   24.072   13.510   38.680   12.543   56.149   16.599 -17.46904 20.80496 
1 1 1    2   20   31 o   39.933   9.9415   10.969   6.5365   13.232   7.5493   4.1899   13.065   42.470   12.366   37.397   15.569 5.073715 19.88293 
1 1 1    2   20   32 o   94.093   8.4789   70.967   8.5173   78.328   9.9402   50.634   16.521  106.532   6.8855   81.654   15.497 24.87781 16.95777 
1 1 1    2   20   33 o   71.086   9.3331   42.924   7.5382   49.735   8.9101   25.773   14.139   84.634   7.7688   57.537   16.973 27.09709 18.66629 
1 1 1    2   20   34 o  102.151   6.8992   71.296   8.4260   68.783   9.7660   78.613   16.666   99.643   7.2325  104.659   11.751 -5.015686 13.79841 
1 1 1    2   20   35 o   58.731   9.7079   23.432   7.0727   18.974   8.3535   34.719   13.292   50.284   12.349   67.177   14.983 -16.89268 19.41583 
1 1 1    2   20   36 o  155.643   5.9537  163.416   11.038  156.880   12.749  182.982   22.058  150.788   6.2393  160.498   10.142 -9.709534 11.90748 
1 1 1    2   20   37 o   62.581   9.5503   31.761   7.1515   34.551   8.3382   23.997   13.908   70.091   8.7787   55.072   16.964 15.01901 19.10061 
1 1 1    2   20   38 o   56.724   10.372   25.542   8.0205   28.035   10.361   21.815   12.669   60.776   12.975   52.672   16.185 8.103840 20.74381 
1 1 1    2   20   39 o   67.641   9.4854   40.737   8.7682   60.185   11.329   11.690   13.846   92.223   9.0653   43.059   16.665 49.16373 18.97083 
1 1 1    2   20   40 o   56.797   10.459   25.232   7.9957   24.627   10.241   26.177   12.796   56.429   13.561   57.166   15.926 -0.7367477 20.91745 
1 1 1    2   20   41 o   42.610   10.531   13.339   7.6123   16.047   9.9072   9.4373   11.894   45.657   14.360   39.563   15.408 6.094170 21.06194 
1 1 1    2   20   42 o   47.132   10.761   17.022   7.6274   16.129   9.5713   18.577   12.626   45.650   14.075   48.615   16.281 -2.964661 21.52108 
1 1 1    2   20   43 o   59.487   9.9579   30.189   8.4922   40.010   10.825   14.468   13.695   74.169   10.770   44.806   16.752 29.36274 19.91571 
1 1 1    2   20   44 o   66.155   10.815   35.924   10.395   17.451   14.853   53.659   14.553   47.672   17.517   84.638   12.689 -36.96610 21.62951 
1 1 1    2   20   45 f   46.951   16.991   17.086   13.899   17.086   13.899   0.0000   0.0000   46.951   16.991  ?   ?       ?      ? 
1 1 1    2   20   46 o   65.254   16.797   35.705   14.941   35.705   14.941   0.0000   0.0000   65.254   16.797  ?   ?       ?      ? 
1 1 1    2   20   47 o   57.041   17.047   27.616   14.192   27.616   14.192   0.0000   0.0000   57.041   17.047  ?   ?       ?      ? 
1 1 1    2   20   48 o   59.239   12.580   27.316   9.7865   27.316   9.7865   0.0000   0.0000   59.239   12.580  ?   ?       ?      ? 
1 1 1    2   20   49 o   44.837   13.607   15.954   8.9909   15.954   8.9909   0.0000   0.0000   44.837   13.607  ?   ?       ?      ? 
1 1 1    2   20   50 o   26.050   11.627  -1.5742   8.3565  -1.5742   8.3565   0.0000   0.0000   26.050   11.627  ?   ?       ?      ? 
1 1 1    2   20   51 o   36.114   13.322   9.1051   8.6027   9.1051   8.6027   0.0000   0.0000   36.114   13.322  ?   ?       ?      ? 
1 1 1    2   20   52 o   32.379   12.887   5.7999   8.4795   5.7999   8.4795   0.0000   0.0000   32.379   12.887  ?   ?       ?      ? 
1 1 1    2   20   53 o   19.351   9.4314 -12.6430   8.0058 -12.6430   8.0058   0.0000   0.0000   19.351   9.4314  ?   ?       ?      ? 
1 1 1    2   20   54 o   37.888   13.668   10.812   8.9835   10.812   8.9835   0.0000   0.0000   37.888   13.668  ?   ?       ?      ? 
1 1 1    2   20   55 o   47.625   13.786   18.859   9.4075   18.859   9.4075   0.0000   0.0000   47.625   13.786  ?   ?       ?      ? 
1 1 1    2   20   56 o   30.585   12.804   3.9301   8.9064   3.9301   8.9064   0.0000   0.0000   30.585   12.804  ?   ?       ?      ? 
1 1 1    2   20   57 o   24.864   11.309  -2.5165   8.3443  -2.5165   8.3443   0.0000   0.0000   24.864   11.309  ?   ?       ?      ? 
1 1 1    2   20   58 o   26.570   11.719   0.2938   8.2393   0.2938   8.2393   0.0000   0.0000   26.570   11.719  ?   ?       ?      ? 
1 1 1    2   20   59 o   24.062   11.024  -2.8900   8.1160  -2.8900   8.1160   0.0000   0.0000   24.062   11.024  ?   ?       ?      ? 
1 1 1    2   20   60 o   29.736   12.490   4.1879   8.5189   4.1879   8.5189   0.0000   0.0000   29.736   12.490  ?   ?       ?      ? 
1 1 1    2   20   61 o   46.186   13.611   18.950   9.0965   18.950   9.0965   0.0000   0.0000   46.186   13.611  ?   ?       ?      ? 
1 1 1    2   20   62 o   19.365   9.3968  -9.9980   7.7116  -9.9980   7.7116   0.0000   0.0000   19.365   9.3968  ?   ?       ?      ? 
1 1 1    2   20   63 o   27.187   11.955   1.8764   8.5156   1.8764   8.5156   0.0000   0.0000   27.187   11.955  ?   ?       ?      ? 
1 1 1    2   21    0 o   43.557   10.114   12.519   6.8709   9.2527   8.8876   17.372   10.832   38.251   13.617   48.864   14.958 -10.61286 20.22773 
1 1 1    2   21    1 o   78.747   7.6267   44.131   7.9343   47.675   10.419   39.238   12.241   82.899   9.2748   74.596   12.110 8.302254 15.25338 
1 1 1    2   21    2 f   57.909   9.1157   22.937   7.2265   14.062   9.3825   35.879   11.331   44.400   13.976   71.418   11.708 -27.01854 18.23147 
1 1 1    2   21    3 o  120.521   5.8783   99.375   9.5398   92.327   12.653  108.659   14.521  115.681   8.0715  125.360   8.5480 -9.679176 11.75661 
1 1 1    2   21    4 o   34.240   9.7229   4.6121   6.8458   5.6157   8.9220   3.1754   10.675   34.273   13.346   34.206   14.143 0.6717300E-01 19.44579 
1 1 1    2   21    5 o   40.811   11.603   6.0102   9.8182   1.7681   12.882   11.890   15.166   35.870   15.228   45.753   17.510 -9.882961 23.20527 
1 1 1    2   21    6 o   32.817   14.058   0.5627   11.159   0.0000   0.0000   0.5627   11.159  ?   ?    32.817   14.058      ?      ? 
1 1 1    2   21    7 o  129.638   7.9838  117.072   13.931  109.851   18.455  126.636   21.239  125.198   10.878  134.079   11.689 -8.881134 15.96768 
1 1 1    2   21    8 o   66.305   10.528   36.048   8.7452   41.354   10.323   22.561   16.459   77.025   9.8898   55.586   18.589 21.43948 21.05568 
1 1 1    2   21    9 o   45.563   10.734   14.978   7.7195   17.716   9.1468   8.1997   14.391   49.018   13.391   42.107   16.779 6.911209 21.46710 
1 1 1    2   21   10 o   67.586   9.9959   29.559   8.1814   23.424   9.5633   46.306   15.801   56.382   12.808   78.791   15.350 -22.40943 19.99188 
1 1 1    2   21   11 o   46.888   11.033   11.766   7.6674   6.7091   8.9377   25.860   14.921   35.354   13.463   58.421   17.484 -23.06723 22.06698 
1 1 1    2   21   12 o  129.001   6.8975  111.054   11.020  104.155   12.982  128.841   20.844  122.819   7.8001  135.183   11.378 -12.36403 13.79502 
1 1 1    2   21   13 o   72.400   9.5584   33.283   8.5542   26.123   10.026   52.435   16.398   59.527   12.809   85.272   14.191 -25.74479 19.11681 
1 1 1    2   21   14 o   57.219   10.935   24.915   8.1839   25.760   9.6439   22.742   15.469   59.197   12.418   55.241   18.002 3.956123 21.86941 
1 1 1    2   21   15 o   84.783   8.6793   49.346   9.0055   47.036   10.564   55.489   17.225   82.094   9.4962   87.473   14.531 -5.378517 17.35869 
1 1 1    2   21   16 o   59.523   10.205   18.699   7.9211   8.7386   9.1088   49.597   16.043   37.630   13.734   81.416   15.097 -43.78664 20.40960 
1 1 1    2   21   17 o   46.881   11.454   12.999   7.8749   10.009   9.0498   22.322   15.982   39.009   13.757   54.752   18.317 -15.74259 22.90771 
1 1 1    2   21   18 o   70.473   10.452   34.968   9.9813   34.968   9.9813   0.0000   0.0000   70.473   10.452  ?   ?       ?      ? 
1 1 1    2   21   19 o   99.320   8.4905   68.612   11.428   68.612   11.428   0.0000   0.0000   99.320   8.4905  ?   ?       ?      ? 
1 1 1    2   21   20 o   67.601   9.7268   31.438   7.1785   29.821   8.0073   38.056   16.203   65.338   9.0434   69.863   17.224 -4.524811 19.45357 
1 1 1    2   21   21 o   46.280   10.189   16.312   6.5300   17.808   7.3022   10.342   14.590   49.172   11.208   43.388   17.019 5.784504 20.37771 
1 1 1    2   21   22 o   45.589   10.433   15.024   6.5904   15.578   7.3945   12.883   14.532   45.830   11.827   45.348   17.191 0.4820786 20.86666 
1 1 1    2   21   23 o   29.552   9.3272  -1.1926   6.1756  -1.1644   6.8964  -1.3069   13.875   24.548   10.778   34.556   15.226 -10.00828 18.65437 
1 1 1    2   21   24 o  111.527   7.1266   86.097   8.8869   84.683   10.031   91.257   19.160  110.743   6.6843  112.312   12.589 -1.568985 14.25317 
1 1 1    2   21   25 o   85.455   7.8949   50.453   7.6703   49.001   8.6961   55.542   16.280   83.964   7.6427   86.946   13.817 -2.981834 15.78980 
1 1 1    2   21   26 o   80.747   8.8825   48.557   7.6819   49.099   8.7131   46.664   16.278   84.009   7.6536   77.485   16.032 6.523918 17.76492 
1 1 1    2   21   27 o   51.213   10.829   20.702   7.8192   22.385   9.1848   16.272   14.903   54.465   12.681   47.961   17.558 6.504196 21.65878 
1 1 1    2   21   28 o  140.983   6.6957  137.907   11.851  133.533   14.210  147.900   21.478  138.451   7.5737  143.515   11.044 -5.064209 13.39133 
1 1 1    2   21   29 o   49.121   10.277   19.680   7.7713   24.894   9.4718   8.9395   13.594   57.416   12.526   40.827   16.295 16.58927 20.55309 
1 1 1    2   21   30 o   60.457   10.089   25.981   7.7860   20.694   9.4441   37.198   13.757   51.923   13.348   68.992   15.131 -17.06937 20.17734 
1 1 1    2   21   31 o   98.319   7.4809   67.242   9.3794   63.039   11.337   76.358   16.697   94.456   8.8570  102.182   12.059 -7.725899 14.96178 
1 1 1    2   21   32 o   38.605   11.049   7.1252   9.0870   3.4292   13.111   10.542   12.606   36.066   15.338   41.145   15.907 -5.079163 22.09759 
1 1 1    2   21   33 o   58.436   11.766   27.682   9.8039   31.429   14.166   24.237   13.582   62.170   16.529   54.702   16.750 7.467945 23.53219 
1 1 1    2   21   34 o   50.193   11.258   17.800   9.4851   32.430   14.123   5.7769   12.802   63.113   16.373   37.273   15.456 25.83997 22.51572 
1 1 1    2   21   35 o   48.897   11.639   18.498   9.5247   11.144   13.689   25.399   13.261   42.039   16.486   55.756   16.435 -13.71684 23.27851 
1 1 1    2   21   36 o   58.909   11.913   28.863   10.025   26.445   14.629   31.005   13.766   56.329   17.406   61.488   16.269 -5.158932 23.82505 
1 1 1    2   21   37 o   35.610   10.466   3.2427   8.8479  -5.5768   12.786   11.348   12.257   30.056   13.794   41.163   15.744 -11.10644 20.93233 
1 1 1    2   21   38 o   45.860   10.729   16.782   7.9824   20.281   10.156   11.127   12.912   50.463   14.234   41.256   16.058 9.207253 21.45811 
1 1 1    2   21   39 o   42.463   10.511   11.192   7.5738   4.9390   9.4899   22.163   12.570   33.011   13.457   51.915   16.150 -18.90342 21.02111 
1 1 1    2   21   40 o   38.690   13.928   10.727   9.3218   10.727   9.3218   0.0000   0.0000   38.690   13.928  ?   ?       ?      ? 
1 1 1    2   21   41 o   33.824   13.294   6.5058   8.9191   6.5058   8.9191   0.0000   0.0000   33.824   13.294  ?   ?       ?      ? 
1 1 1    2   21   42 o   19.963   9.7062 -12.8741   8.3375 -12.8741   8.3375   0.0000   0.0000   19.963   9.7062  ?   ?       ?      ? 
1 1 1    2   21   43 o   65.759   11.791   33.119   10.121   33.119   10.121   0.0000   0.0000   65.759   11.791  ?   ?       ?      ? 
1 1 1    2   21   44 o   60.011   12.493   28.150   9.8296   28.150   9.8296   0.0000   0.0000   60.011   12.493  ?   ?       ?      ? 
1 1 1    2   21   45 o   80.555   9.7464   47.390   10.639   47.390   10.639   0.0000   0.0000   80.555   9.7464  ?   ?       ?      ? 
1 1 1    2   21   46 o   35.711   13.502   8.6289   8.9494   8.6289   8.9494   0.0000   0.0000   35.711   13.502  ?   ?       ?      ? 
1 1 1    2   21   47 o   48.281   13.406   18.932   9.0828   18.932   9.0828   0.0000   0.0000   48.281   13.406  ?   ?       ?      ? 
1 1 1    2   21   48 o   55.441   12.444   24.470   9.1196   24.470   9.1196   0.0000   0.0000   55.441   12.444  ?   ?       ?      ? 
1 1 1    2   21   49 o   40.366   13.970   12.959   9.3088   12.959   9.3088   0.0000   0.0000   40.366   13.970  ?   ?       ?      ? 
1 1 1    2   21   50 o   39.195   13.848   12.125   9.1750   12.125   9.1750   0.0000   0.0000   39.195   13.848  ?   ?       ?      ? 
1 1 1    2   21   51 o   40.038   13.647   13.016   8.8727   13.016   8.8727   0.0000   0.0000   40.038   13.647  ?   ?       ?      ? 
1 1 1    2   21   52 o   30.802   12.591   5.0107   8.3375   5.0107   8.3375   0.0000   0.0000   30.802   12.591  ?   ?       ?      ? 
1 1 1    2   21   53 o   24.717   11.094  -1.1947   7.7219  -1.1947   7.7219   0.0000   0.0000   24.717   11.094  ?   ?       ?      ? 
1 1 1    2   21   54 o   24.828   11.289  -2.0931   8.3051  -2.0931   8.3051   0.0000   0.0000   24.828   11.289  ?   ?       ?      ? 
1 1 1    2   21   55 o   19.654   9.4923  -9.4618   7.6374  -9.4618   7.6374   0.0000   0.0000   19.654   9.4923  ?   ?       ?      ? 
1 1 1    2   21   56 o   31.691   12.643   6.7822   8.1786   6.7822   8.1786   0.0000   0.0000   31.691   12.643  ?   ?       ?      ? 
1 1 1    2   21   57 o   26.871   11.756   1.6828   8.1424   1.6828   8.1424   0.0000   0.0000   26.871   11.756  ?   ?       ?      ? 
1 1 1    2   21   58 o   33.438   13.061   8.7904   8.5651   8.7904   8.5651   0.0000   0.0000   33.438   13.061  ?   ?       ?      ? 
1 1 1    2   22    0 o   31.912   9.7065  -0.2539   7.5879   4.7462   11.660  -3.9273   9.9938   36.089   14.837   27.736   12.520 8.352482 19.41293 
1 1 1    2   22    1 o   48.784   9.3643   18.511   6.8876   26.022   9.0930   8.4010   10.550   59.360   11.720   38.208   14.608 21.15256 18.72858 
1 1 1    2   22    2 o   32.099   9.2426   3.5194   6.2355   1.9969   8.0818   5.7590   9.8017   29.257   12.218   34.941   13.871 -5.684185 18.48517 
1 1 1    2   22    3 o   48.140   9.8675   17.482   6.7709   17.694   8.9315   17.195   10.382   48.469   13.229   47.811   14.645 0.6577263 19.73509 
1 1 1    2   22    4 o   43.910   10.048   14.177   6.8367   15.480   9.0474   12.444   10.438   45.518   13.613   42.303   14.784 3.215782 20.09689 
1 1 1    2   22    5 o   69.280   8.4643   36.279   7.4873   42.815   9.9972   27.929   11.299   77.981   9.4603   60.579   14.038 17.40209 16.92856 
1 1 1    2   22    6 o   77.093   8.2286   45.267   7.9094   55.068   10.524   32.542   11.991   88.665   8.7585   65.522   13.933 23.14305 16.45722 
1 1 1    2   22    7 o   75.226   7.4816   39.569   7.5360   36.035   9.7842   44.723   11.816   71.318   10.124   79.133   11.018 -7.814835 14.96322 
1 1 1    2   22    8 o   48.281   9.9187   18.052   7.0238   21.497   9.1103   13.005   11.029   53.421   12.760   43.141   15.189 10.28075 19.83745 
1 1 1    2   22    9 o   95.156   8.5802   66.582   9.4831   67.837   10.998   62.945   18.721   98.549   8.2357   91.764   15.055 6.784836 17.16040 
1 1 1    2   22   10 o   91.127   8.1800   51.378   8.9809   42.729   10.251   79.935   18.627   77.731   9.7318  104.524   13.151 -26.79256 16.35992 
1 1 1    2   22   11 o   61.898   8.8671   26.916   7.4377   26.916   7.4377   0.0000   0.0000   61.898   8.8671  ?   ?       ?      ? 
1 1 1    2   22   12 o   47.653   10.392   16.428   6.3133   16.319   6.9800   16.919   14.803   46.835   11.157   48.471   17.536 -1.635387 20.78439 
1 1 1    2   22   13 o   58.114   10.000   21.597   6.4554   18.658   7.1414   34.729   15.095   50.216   10.814   66.011   16.825 -15.79574 20.00051 
1 1 1    2   22   14 o   26.618   8.6735  -2.7591   5.5481  -1.9676   6.0770  -6.7221   13.597   22.203   9.9124   31.032   14.236 -8.828932 17.34708 
1 1 1    2   22   15 o   84.139   9.0138   55.965   7.4899   58.275   8.3590   46.559   16.870   91.704   6.7264   76.574   16.726 15.12996 18.02752 
1 1 1    2   22   16 o   41.443   9.7199   13.198   6.2764   15.710   7.0540   3.6517   13.752   45.791   11.409   37.094   15.740 8.697483 19.43988 
1 1 1    2   22   17 o   38.649   9.4580   10.998   6.2147   14.323   6.9791  -1.7366   13.657   43.680   11.597   33.619   14.944 10.06112 18.91591 
1 1 1    2   22   18 o   53.589   9.7440   24.146   6.8328   27.080   7.7572   13.988   14.433   61.820   9.2596   45.357   17.148 16.46302 19.48800 
1 1 1    2   22   19 o   68.532   9.5129   35.203   7.1624   34.994   8.0855   35.963   15.436   70.502   8.4630   66.562   17.040 3.939316 19.02581 
1 1 1    2   22   20 o   45.020   10.379   14.890   6.5769   14.872   7.4871   14.953   13.763   44.306   12.120   45.734   16.853 -1.427921 20.75870 
1 1 1    2   22   21 o   46.149   10.605   14.725   6.5890   13.381   7.4282   19.687   14.270   42.096   12.269   50.202   17.301 -8.105446 21.20981 
1 1 1    2   22   22 o   50.281   10.090   21.068   6.7940   23.149   7.6440   13.240   14.825   55.936   10.469   44.627   17.251 11.30919 20.17949 
1 1 1    2   22   23 o   69.224   8.9600   26.404   7.0395   18.869   7.8115   58.967   16.240   49.863   11.753   88.586   13.528 -38.72371 17.91996 
1 1 1    2   22   24 o   34.019   9.9187   4.8018   6.3010   4.7120   7.0724   5.1474   13.874   30.275   11.856   37.763   15.905 -7.488264 19.83750 
1 1 1    2   22   25 o   53.425   9.0178   25.171   8.3135   39.447   10.123  -4.4009   14.570   73.991   10.096   32.859   14.945 41.13161 18.03563 
1 1 1    2   22   26 o   45.981   9.3070   16.745   7.9622   28.705   9.7314  -7.4791   13.849   61.448   12.117   30.513   14.130 30.93408 18.61401 
1 1 1    2   22   27 o   96.433   8.0989   69.364   9.8163   71.436   12.007   65.190   17.046  100.165   8.8459   92.700   13.569 7.464302 16.19790 
1 1 1    2   22   28 o   36.511   9.3741   6.5732   7.4397   16.728   9.2688 -11.8176   12.474   46.211   13.769   26.810   12.724 19.40094 18.74821 
1 1 1    2   22   29 o   47.104   10.618   17.902   7.6585   19.944   9.5407   14.201   12.842   50.254   13.654   43.953   16.264 6.300526 21.23581 
1 1 1    2   22   30 o   31.555   8.8634   0.6806   7.0880   11.891   8.8607 -19.2394   11.812   39.947   13.637   23.163   11.325 16.78430 17.72689 
1 1 1    2   22   31 o   97.600   7.8410   68.987   9.8403   66.461   12.075   73.981   16.980   96.163   9.2657   99.038   12.652 -2.874504 15.68202 
1 1 1    2   22   32 o   48.408   9.7829   12.167   7.5697   0.5030   9.1568   37.345   13.453   28.864   12.551   67.953   15.010 -39.08905 19.56589 
1 1 1    2   22   33 o   47.366   10.959   16.262   7.7568   12.026   9.4144   25.219   13.688   40.134   14.040   54.598   16.831 -14.46447 21.91802 
1 1 1    2   22   34 o   30.491   12.713   3.2534   8.7280   3.2534   8.7280   0.0000   0.0000   30.491   12.713  ?   ?       ?      ? 
1 1 1    2   22   35 o   24.071   11.146  -5.3368   8.6148  -5.3368   8.6148   0.0000   0.0000   24.071   11.146  ?   ?       ?      ? 
1 1 1    2   22   36 o   37.654   13.820   10.063   9.2421   10.063   9.2421   0.0000   0.0000   37.654   13.820  ?   ?       ?      ? 
1 1 1    2   22   37 o   64.756   12.261   32.552   10.365   32.552   10.365   0.0000   0.0000   64.756   12.261  ?   ?       ?      ? 
1 1 1    2   22   38 o   54.578   13.460   23.975   9.8930   23.975   9.8930   0.0000   0.0000   54.578   13.460  ?   ?       ?      ? 
1 1 1    2   22   39 o   73.208   10.520   39.740   10.437   39.740   10.437   0.0000   0.0000   73.208   10.520  ?   ?       ?      ? 
1 1 1    2   22   40 o   20.844   9.9961  -9.6895   8.1289  -9.6895   8.1289   0.0000   0.0000   20.844   9.9961  ?   ?       ?      ? 
1 1 1    2   22   41 o   41.564   13.552   13.826   8.7672   13.826   8.7672   0.0000   0.0000   41.564   13.552  ?   ?       ?      ? 
1 1 1    2   22   42 o   28.201   12.098   1.7434   8.2859   1.7434   8.2859   0.0000   0.0000   28.201   12.098  ?   ?       ?      ? 
1 1 1    2   22   43 o   49.858   13.220   20.434   9.0777   20.434   9.0777   0.0000   0.0000   49.858   13.220  ?   ?       ?      ? 
1 1 1    2   22   44 o   30.523   12.559   4.4752   8.3629   4.4752   8.3629   0.0000   0.0000   30.523   12.559  ?   ?       ?      ? 
1 1 1    2   22   45 o   29.863   12.423   3.9405   8.3082   3.9405   8.3082   0.0000   0.0000   29.863   12.423  ?   ?       ?      ? 
1 1 1    2   22   46 o   24.942   11.223  -1.4773   7.9584  -1.4773   7.9584   0.0000   0.0000   24.942   11.223  ?   ?       ?      ? 
1 1 1    2   22   47 f   30.802   12.541   5.2926   8.2299   5.2926   8.2299   0.0000   0.0000   30.802   12.541  ?   ?       ?      ? 
1 1 1    2   22   48 o   31.500   12.733   6.0059   8.4147   6.0059   8.4147   0.0000   0.0000   31.500   12.733  ?   ?       ?      ? 
1 1 1    2   22   49 o   17.634   8.6951 -13.6657   7.4429 -13.6657   7.4429   0.0000   0.0000   17.634   8.6951  ?   ?       ?      ? 
1 1 1    2   22   50 o   28.751   12.135   3.7115   8.1051   3.7115   8.1051   0.0000   0.0000   28.751   12.135  ?   ?       ?      ? 
1 1 1    2   22   51 o   26.973   11.681   2.1252   7.8684   2.1252   7.8684   0.0000   0.0000   26.973   11.681  ?   ?       ?      ? 
1 1 1    2   22   52 o   26.999   11.699   2.3181   7.9011   2.3181   7.9011   0.0000   0.0000   26.999   11.699  ?   ?       ?      ? 
1 1 1    2   22   53 o   33.547   12.854   9.1475   8.1788   9.1475   8.1788   0.0000   0.0000   33.547   12.854  ?   ?       ?      ? 
1 1 1    2   23    0 o   45.172   10.866   13.542   6.9694   11.317   7.9358   21.044   14.572   39.158   12.900   51.186   17.489 -12.02819 21.73177 
1 1 1    2   23    1 o   31.539   9.5171   2.5961   6.7543   4.8253   7.7865  -4.1797   13.575   31.227   12.374   31.852   14.463 -0.6252403 19.03420 
1 1 1    2   23    2 o   66.576   9.8380   32.660   8.8102   50.968   13.797   20.054   11.448   82.952   12.273   50.199   15.379 32.75322 19.67600 
1 1 1    2   23    3 o   41.995   9.8498   11.125   7.7787  -2.3805   11.393   22.916   10.646   30.157   13.510   53.833   14.337 -23.67586 19.69968 
1 1 1    2   23    4 o   31.227   9.5120   0.9131   7.4146  -2.8834   10.888   4.1967   10.125   29.179   13.129   33.275   13.768 -4.095747 19.02394 
1 1 1    2   23    5 o   36.212   10.258   6.7711   7.5989   7.6155   11.481   6.1129   10.137   37.476   14.970   34.948   14.029 2.527637 20.51560 
1 1 1    2   23    6 f   44.666   10.913   14.949   7.9538   16.767   12.275   13.633   10.443   46.578   16.046   42.754   14.796 3.824108 21.82683 
1 1 1    2   23    7 o   71.773   7.9533   38.333   7.4334   39.871   9.8585   36.308   11.316   74.495   9.7657   69.052   12.556 5.443069 15.90668 
1 1 1    2   23    8 o   39.479   9.6661   11.377   6.4658   14.203   8.3423   7.1252   10.233   43.033   13.117   35.925   14.201 7.107861 19.33230 
1 1 1    2   23    9 o   35.103   9.3384   7.4531   6.3195   11.244   8.2019   1.9148   9.9135   39.075   13.122   31.131   13.291 7.943661 18.67690 
1 1 1    2   23   10 o   44.109   10.301   7.2126   7.2092  -0.7320   8.3146   31.276   14.471   26.875   11.816   61.344   16.878 -34.46944 20.60258 
1 1 1    2   23   11 o   70.183   9.7379   35.854   7.1419   34.530   7.8937   41.827   16.768   69.819   8.3431   70.547   17.598 -0.7281876 19.47575 
1 1 1    2   23   12 o   42.565   9.6711   14.801   6.3065   17.423   7.0514   4.3199   14.097   47.960   11.074   37.170   15.859 10.78949 19.34213 
1 1 1    2   23   13 o   45.717   10.615   12.922   6.2495   10.363   6.9118   24.387   14.630   37.376   12.020   54.057   17.499 -16.68075 21.22991 
1 1 1    2   23   14 o   57.773   10.064   23.471   6.5115   21.429   7.2217   32.349   15.057   53.609   10.315   61.936   17.283 -8.327213 20.12723 
1 1 1    2   23   15 o   67.303   9.9239   39.432   7.2709   42.460   8.1664   27.849   15.970   77.586   7.7672   57.021   18.265 20.56511 19.84776 
1 1 1    2   23   16 o   36.419   9.6929   0.5126   5.9782  -4.8618   6.6802   22.129   13.397   21.049   9.7706   51.789   16.744 -30.74007 19.38589 
1 1 1    2   23   17 o   32.805   9.6474   4.5932   6.0748   5.1693   6.7751   2.2308   13.720   30.285   11.675   35.326   15.362 -5.040129 19.29471 
1 1 1    2   23   18 o   32.011   9.3685   3.1477   7.0988   8.6360   8.3356 -11.3418   13.544   35.747   13.124   28.275   13.372 7.471418 18.73699 
1 1 1    2   23   19 o   43.299   10.790   13.429   7.2739   12.032   8.5669   17.037   13.769   39.958   13.411   46.641   16.907 -6.682953 21.57970 
1 1 1    2   23   20 o   46.090   10.440   17.453   7.3960   19.846   8.8124   11.750   13.603   50.267   12.879   41.913   16.435 8.353378 20.88006 
1 1 1    2   23   21 o   47.356   10.867   16.208   7.3944   13.030   8.7419   24.201   13.862   41.192   13.538   53.520   17.003 -12.32800 21.73447 
1 1 1    2   23   22 o   24.751   8.2753  -8.4635   6.5183 -10.2198   7.7866  -4.3506   11.916   20.144   9.6926   29.358   13.416 -9.214085 16.55061 
1 1 1    2   23   23 o   29.229   9.2193  -1.0059   6.6445  -1.8238   7.7986   1.1605   12.692   25.057   11.205   33.400   14.644 -8.342937 18.43857 
1 1 1    2   23   24 o   32.824   9.4752  -1.0619   6.6354  -7.6909   7.8820   15.065   12.294   21.534   10.189   44.115   15.978 -22.58068 18.95038 
1 1 1    2   23   25 o   37.124   9.9529   9.3054   7.0656   12.582   8.4275   1.5527   12.963   40.415   13.293   33.833   14.817 6.581528 19.90575 
1 1 1    2   23   26 o   40.936   10.501   12.456   7.2500   12.751   8.7854   11.828   12.836   40.644   13.581   41.228   16.021 -0.5842667 21.00245 
1 1 1    2   23   27 o   37.667   10.354   9.0890   7.2395   8.6558   8.8068   9.9918   12.713   35.785   13.423   39.548   15.767 -3.762611 20.70706 
1 1 1    2   23   28 o   48.110   13.599   18.676   9.2594   18.676   9.2594   0.0000   0.0000   48.110   13.599  ?   ?       ?      ? 
1 1 1    2   23   29 o   18.340   9.0309 -15.1192   7.9372 -15.1192   7.9372   0.0000   0.0000   18.340   9.0309  ?   ?       ?      ? 
1 1 1    2   23   30 f   51.416   13.235   21.312   9.2763   21.312   9.2763   0.0000   0.0000   51.416   13.235  ?   ?       ?      ? 
1 1 1    2   23   31 o   52.652   12.993   22.284   9.2136   22.284   9.2136   0.0000   0.0000   52.652   12.993  ?   ?       ?      ? 
1 1 1    2   23   32 o   56.788   12.193   25.456   9.1032   25.456   9.1032   0.0000   0.0000   56.788   12.193  ?   ?       ?      ? 
1 1 1    2   23   33 o   62.601   11.487   30.415   9.3853   30.415   9.3853   0.0000   0.0000   62.601   11.487  ?   ?       ?      ? 
1 1 1    2   23   34 o   46.087   13.526   17.482   9.0001   17.482   9.0001   0.0000   0.0000   46.087   13.526  ?   ?       ?      ? 
1 1 1    2   23   35 o   41.301   13.822   13.852   9.1000   13.852   9.1000   0.0000   0.0000   41.301   13.822  ?   ?       ?      ? 
1 1 1    2   23   36 o   39.142   13.707   12.177   8.9750   12.177   8.9750   0.0000   0.0000   39.142   13.707  ?   ?       ?      ? 
1 1 1    2   23   37 o   21.795   10.276  -6.5320   7.8862  -6.5320   7.8862   0.0000   0.0000   21.795   10.276  ?   ?       ?      ? 
1 1 1    2   23   38 o   31.055   12.585   5.3490   8.2433   5.3490   8.2433   0.0000   0.0000   31.055   12.585  ?   ?       ?      ? 
1 1 1    2   23   39 o   39.034   13.320   12.476   8.4534   12.476   8.4534   0.0000   0.0000   39.034   13.320  ?   ?       ?      ? 
1 1 1    2   23   40 o   32.745   12.911   7.1165   8.4382   7.1165   8.4382   0.0000   0.0000   32.745   12.911  ?   ?       ?      ? 
1 1 1    2   23   41 o   18.681   9.1096 -11.3041   7.4951 -11.3041   7.4951   0.0000   0.0000   18.681   9.1096  ?   ?       ?      ? 
1 1 1    2   23   42 o   31.295   12.682   6.0112   8.3709   6.0112   8.3709   0.0000   0.0000   31.295   12.682  ?   ?       ?      ? 
1 1 1    2   23   43 o   35.433   13.314   10.007   8.6703   10.007   8.6703   0.0000   0.0000   35.433   13.314  ?   ?       ?      ? 
1 1 1    2   23   44 o   21.427   10.537 -16.4233   10.690 -16.4233   10.690   0.0000   0.0000   21.427   10.537  ?   ?       ?      ? 
1 1 1    2   23   45 o   38.916   15.504   13.542   12.284   13.542   12.284   0.0000   0.0000   38.916   15.504  ?   ?       ?      ? 
1 1 1    2   23   46 o   37.177   15.160   11.899   12.050   11.899   12.050   0.0000   0.0000   37.177   15.160  ?   ?       ?      ? 
1 1 1    2   23   47 o   32.682   14.283   6.1816   11.990   6.1816   11.990   0.0000   0.0000   32.682   14.283  ?   ?       ?      ? 
1 1 1    2   24    0 o   41.378   13.599   13.298   8.8207   13.298   8.8207   0.0000   0.0000   41.378   13.599  ?   ?       ?      ? 
1 1 1    2   24    1 o   70.843   10.170   40.137   8.3473   40.321   9.6455   39.589   16.659   74.537   9.5493   67.148   17.958 7.389351 20.33942 
1 1 1    2   24    2 o   32.062   9.2330   4.8774   6.2399   5.7014   7.9754   3.5771   10.019   31.961   12.568   32.163   13.529 -0.2026672 18.46601 
1 1 1    2   24    3 o   41.334   9.6298   13.429   6.5451   17.188   8.4349   7.7408   10.376   46.581   12.914   36.086   14.289 10.49512 19.25965 
1 1 1    2   24    4 f   51.563   9.5206   20.979   6.5983   19.780   8.4237   22.881   10.614   50.163   12.450   52.963   14.407 -2.799881 19.04129 
1 1 1    2   24    5 o   38.626   9.7779   10.580   6.3628   8.8770   8.1285   13.274   10.224   35.655   12.980   41.597   14.627 -5.941460 19.55585 
1 1 1    2   24    6 o   38.354   9.5658   9.6143   6.2732   5.1615   8.0620   16.448   9.9873   31.462   12.552   45.245   14.439 -13.78327 19.13163 
1 1 1    2   24    7 o   27.372   8.3213   0.2651   5.8395   4.5449   7.4661  -6.4777   9.3714   30.157   12.063   24.587   11.466 5.570284 16.64262 
1 1 1    2   24    8 o   48.991   9.3050   19.882   6.5502   24.644   8.5590   13.152   10.176   56.579   11.554   41.403   14.589 15.17574 18.60991 
1 1 1    2   24    9 o   40.362   10.402   10.991   8.4356   19.487   10.745  -2.6600   13.620   48.694   14.896   32.030   14.522 16.66399 20.80305 
1 1 1    2   24   10 o   48.026   10.593   13.011   7.0113   6.8623   7.9620   34.246   14.796   33.144   12.686   62.908   16.967 -29.76466 21.18538 
1 1 1    2   24   11 f   43.249   10.641   9.9144   6.9900   4.6118   7.9937   27.141   14.408   30.772   12.420   55.727   17.283 -24.95458 21.28278 
1 1 1    2   24   12 o   49.995   10.348   22.002   7.4827   24.927   8.6549   13.345   14.890   56.785   11.638   43.206   17.114 13.57854 20.69654 
1 1 1    2   24   13 o   41.011   10.368   12.821   6.8793   13.548   7.9617   10.681   13.666   41.506   12.843   40.515   16.279 0.9911194 20.73558 
1 1 1    2   24   14 o   42.204   10.291   14.292   6.9745   15.953   8.1024   9.5394   13.704   44.789   12.742   39.618   16.162 5.170799 20.58112 
1 1 1    2   24   15 o   33.589   9.9126   1.7563   6.7859  -2.2594   7.8714   13.379   13.391   24.708   11.136   42.471   16.402 -17.76295 19.82517 
1 1 1    2   24   16 o   30.148   9.2558   1.8627   6.7096   4.0601   7.8597  -4.0408   12.883   29.968   12.235   30.328   13.892 -0.3597279 18.51155 
1 1 1    2   24   17 o   48.549   10.452   20.318   7.4972   22.589   8.9545   14.994   13.710   53.273   12.601   43.824   16.678 9.448814 20.90319 
1 1 1    2   24   18 o   31.103   9.5417   1.2584   6.8043  -0.7170   8.0761   6.0911   12.632   26.082   11.548   36.125   15.193 -10.04288 19.08350 
1 1 1    2   24   19 o   31.616   9.4915   3.5783   6.7897   4.4156   8.2242   1.7860   12.033   30.628   12.511   32.603   14.277 -1.974503 18.98293 
1 1 1    2   24   20 o   43.601   9.7586   16.171   7.2928   22.306   8.9182   3.7890   12.670   52.754   12.641   34.448   14.871 18.30588 19.51728 
1 1 1    2   24   21 o   46.932   13.610   18.102   9.1612   18.102   9.1612   0.0000   0.0000   46.932   13.610  ?   ?       ?      ? 
1 1 1    2   24   22 o   29.036   12.410   2.2019   8.6596   2.2019   8.6596   0.0000   0.0000   29.036   12.410  ?   ?       ?      ? 
1 1 1    2   24   23 o   27.411   12.008   0.4374   8.5184   0.4374   8.5184   0.0000   0.0000   27.411   12.008  ?   ?       ?      ? 
1 1 1    2   24   24 f   39.370   14.039   12.196   9.4501   12.196   9.4501   0.0000   0.0000   39.370   14.039  ?   ?       ?      ? 
1 1 1    2   24   25 o   32.001   14.176   1.2315   12.185   1.2315   12.185   0.0000   0.0000   32.001   14.176  ?   ?       ?      ? 
1 1 1    2   24   26 o   39.847   15.854   11.745   12.830   11.745   12.830   0.0000   0.0000   39.847   15.854  ?   ?       ?      ? 
1 1 1    2   24   27 o   38.457   15.601   10.271   12.681   10.271   12.681   0.0000   0.0000   38.457   15.601  ?   ?       ?      ? 
1 1 1    2   24   28 o   39.215   13.827   12.461   9.1428   12.461   9.1428   0.0000   0.0000   39.215   13.827  ?   ?       ?      ? 
1 1 1    2   24   29 o   44.993   13.771   17.258   9.1824   17.258   9.1824   0.0000   0.0000   44.993   13.771  ?   ?       ?      ? 
1 1 1    2   24   30 o   40.688   13.744   13.905   8.9993   13.905   8.9993   0.0000   0.0000   40.688   13.744  ?   ?       ?      ? 
1 1 1    2   24   31 o   37.052   13.533   10.954   8.8461   10.954   8.8461   0.0000   0.0000   37.052   13.533  ?   ?       ?      ? 
1 1 1    2   24   32 o   22.659   10.628  -5.5451   8.2497  -5.5451   8.2497   0.0000   0.0000   22.659   10.628  ?   ?       ?      ? 
1 1 1    2   24   33 o   62.154   12.015   31.649   9.7541   31.649   9.7541   0.0000   0.0000   62.154   12.015  ?   ?       ?      ? 
1 1 1    2   24   34 o   37.901   13.544   12.094   8.8007   12.094   8.8007   0.0000   0.0000   37.901   13.544  ?   ?       ?      ? 
1 1 1    2   24   35 o   30.449   12.750   4.9497   8.8324   4.9497   8.8324   0.0000   0.0000   30.449   12.750  ?   ?       ?      ? 
1 1 1    2   24   36 o   29.632   12.357   4.7434   8.2496   4.7434   8.2496   0.0000   0.0000   29.632   12.357  ?   ?       ?      ? 
1 1 1    2   24   37 o   30.321   12.548   5.5124   8.4129   5.5124   8.4129   0.0000   0.0000   30.321   12.548  ?   ?       ?      ? 
1 1 1    2   24   38 o   28.578   12.121   3.9878   8.1495   3.9878   8.1495   0.0000   0.0000   28.578   12.121  ?   ?       ?      ? 
1 1 1    2   24   39 o   51.952   13.093   24.239   9.2144   24.239   9.2144   0.0000   0.0000   51.952   13.093  ?   ?       ?      ? 
1 1 1    2   25    0 o   34.642   9.9204   5.9794   7.3673   12.555   11.246   1.0355   9.7513   40.046   15.137   29.238   12.827 10.80813 19.84088 
1 1 1    2   25    1 o   28.736   9.0500  -0.2329   7.1150  -1.8986   10.730   1.0742   9.5053   28.497   12.908   28.975   12.689 -0.4781876 18.10006 
1 1 1    2   25    2 o   38.960   10.459   11.038   7.6215   15.580   11.625   7.6142   10.093   43.072   15.547   34.849   13.995 8.223072 20.91802 
1 1 1    2   25    3 o   30.618   9.3896   2.2057   7.2488   0.0564   10.627   4.0762   9.9132   29.559   13.158   31.678   13.398 -2.119637 18.77915 
1 1 1    2   25    4 o   38.674   10.424   11.375   7.5703   10.677   11.362   11.932   10.152   38.293   15.019   39.054   14.458 -0.7606316 20.84770 
1 1 1    2   25    5 o   38.092   9.4590   8.5063   7.5746  -7.5308   11.398   21.189   10.136   26.372   12.409   49.812   14.279 -23.44060 18.91790 
1 1 1    2   25    6 o   32.636   9.7246   4.4760   7.4687   0.7725   10.937   7.7125   10.224   30.314   13.429   34.958   14.069 -4.643822 19.44914 
1 1 1    2   25    7 o   54.340   11.394   27.852   9.6603   35.149   12.508   17.065   15.208   64.112   14.709   44.567   17.405 19.54454 22.78775 
1 1 1    2   25    8 o   26.622   8.8196  -7.4089   8.1694  -1.9179   10.596 -15.4555   12.827   28.228   12.802   25.015   12.134 3.212717 17.63913 
1 1 1    2   25    9 o   31.232   9.1072   4.2154   6.7072   9.1462   7.9894  -7.5563   12.344   35.039   12.851   27.425   12.908 7.614212 18.21450 
1 1 1    2   25   10 o   36.420   9.9890   9.6584   6.8629   10.925   8.1671   6.6156   12.660   37.225   13.074   35.615   15.106 1.609917 19.97806 
1 1 1    2   25   11 o   33.484   9.6483   6.7535   6.7508   8.5278   8.0321   2.4844   12.459   34.269   12.826   32.699   14.417 1.570618 19.29657 
1 1 1    2   25   12 o   26.950   11.681   1.3027   7.8812   1.3027   7.8812   0.0000   0.0000   26.950   11.681  ?   ?       ?      ? 
1 1 1    2   25   13 f   20.846   9.8915  -7.0164   7.5305  -7.0164   7.5305   0.0000   0.0000   20.846   9.8915  ?   ?       ?      ? 
1 1 1    2   25   14 o   35.726   14.777   7.9635   11.661   7.9635   11.661   0.0000   0.0000   35.726   14.777  ?   ?       ?      ? 
1 1 1    2   25   15 o   60.616   16.006   33.532   13.342   33.532   13.342   0.0000   0.0000   60.616   16.006  ?   ?       ?      ? 
1 1 1    2   25   16 o   39.920   15.329   13.095   11.648   13.095   11.648   0.0000   0.0000   39.920   15.329  ?   ?       ?      ? 
1 1 1    2   25   17 o   43.636   15.756   17.079   11.941   17.079   11.941   0.0000   0.0000   43.636   15.756  ?   ?       ?      ? 
1 1 1    2   25   18 o   29.253   13.119   0.1601   10.774   0.1601   10.774   0.0000   0.0000   29.253   13.119  ?   ?       ?      ? 
1 1 1    2   25   19 o   25.821   12.104  -5.7957   10.667  -5.7957   10.667   0.0000   0.0000   25.821   12.104  ?   ?       ?      ? 
1 1 1    2   25   20 o   39.193   15.456   12.693   12.094   12.693   12.094   0.0000   0.0000   39.193   15.456  ?   ?       ?      ? 
1 1 1    2   25   21 o   46.108   15.929   20.141   12.101   20.141   12.101   0.0000   0.0000   46.108   15.929  ?   ?       ?      ? 
1 1 1    2   25   22 o   26.397   12.318  -4.6489   10.842  -4.6489   10.842   0.0000   0.0000   26.397   12.318  ?   ?       ?      ? 
1 1 1    2   25   23 o   23.057   11.127 -10.9954   10.444 -10.9954   10.444   0.0000   0.0000   23.057   11.127  ?   ?       ?      ? 
1 1 1    2   25   24 o   30.234   13.377   2.4695   10.821   2.4695   10.821   0.0000   0.0000   30.234   13.377  ?   ?       ?      ? 
1 1 1    2   25   25 o   21.367   10.458 -14.2882   10.153 -14.2882   10.153   0.0000   0.0000   21.367   10.458  ?   ?       ?      ? 
1 1 1    2   25   26 o   22.837   11.071 -11.7282   10.639 -11.7282   10.639   0.0000   0.0000   22.837   11.071  ?   ?       ?      ? 
1 1 1    2   25   27 o   47.466   16.022   22.840   12.229   22.840   12.229   0.0000   0.0000   47.466   16.022  ?   ?       ?      ? 
1 1 1    2   25   28 o   53.060   16.018   28.532   12.484   28.532   12.484   0.0000   0.0000   53.060   16.018  ?   ?       ?      ? 
1 1 1    2   25   29 o   32.351   13.935   6.3862   11.077   6.3862   11.077   0.0000   0.0000   32.351   13.935  ?   ?       ?      ? 
1 1 1    2   26    0 o   29.287   12.521   3.9449   8.8219   0.0000   0.0000   3.9449   8.8219  ?   ?    29.287   12.521      ?      ? 
1 1 1    2   26    1 o   31.126   14.070   1.9398   12.675   0.0000   0.0000   1.9398   12.675  ?   ?    31.126   14.070      ?      ? 
1 1 1    2   26    2 o   26.571   12.588  -6.4304   12.100   0.0000   0.0000  -6.4304   12.100  ?   ?    26.571   12.588      ?      ? 
1 1 1    2   26    3 o   27.548   9.1250  -4.1071   8.5268  -4.0394   11.615  -4.1863   12.558   27.118   12.685   27.978   13.120 -0.8599072 18.25007 
1 1 1    2   26    4 o   39.267   11.102   14.150   8.9773   15.512   12.095   12.480   13.396   40.451   15.598   38.084   15.803 2.367672 22.20408 
1 1 1    2   26    5 o   38.994   11.060   13.454   8.9207   9.8624   12.039   17.826   13.284   35.748   14.920   42.240   16.330 -6.491745 22.11928 
1 1 1    2   26    6 o   35.860   10.690   9.8402   8.8796   10.778   11.902   8.6628   13.335   36.361   14.974   35.360   15.260 1.000404 21.37985 
1 1 1    2   26    7 o   25.764   12.192  -6.0600   11.290  -6.0600   11.290   0.0000   0.0000   25.764   12.192  ?   ?       ?      ? 
1 1 1    2   26    8 o   24.803   11.265  -1.0824   8.2423  -1.0824   8.2423   0.0000   0.0000   24.803   11.265  ?   ?       ?      ? 
1 1 1    2   26    9 o   32.647   12.780   8.2304   8.2146   8.2304   8.2146   0.0000   0.0000   32.647   12.780  ?   ?       ?      ? 
1 1 1    2   26   10 o   22.621   10.559  -3.9530   7.9775  -3.9530   7.9775   0.0000   0.0000   22.621   10.559  ?   ?       ?      ? 
1 1 1    2   26   11 o   26.520   11.699   1.5409   8.2149   1.5409   8.2149   0.0000   0.0000   26.520   11.699  ?   ?       ?      ? 
1 1 1    2   26   12 o   19.887   9.5880  -8.4101   7.7117  -8.4101   7.7117   0.0000   0.0000   19.887   9.5880  ?   ?       ?      ? 
1 1 1    3    0    0 f   8.8755   5.3325   0.5285   1.1562   0.5285   1.1562   0.0000   0.0000   8.8755   5.3325   8.8755   5.3325 -0.000000 0.000000 
1 1 1    3    0    1 o   10.370   5.9309   0.9262   1.3150   0.9262   1.3150   0.0000   0.0000   10.370   5.9309   10.370   5.9309 -0.000000 0.000000 
1 1 1    3    0    4 o  398.182   7.4696  1076.82   40.241  1074.15   56.836  1079.50   56.983  397.687   10.563  398.677   10.564 -0.000000 0.000000 
1 1 1    3    0    5 o  505.624   8.8620  1736.03   60.636  1746.71   86.034  1725.49   85.474  507.171   12.535  504.077   12.530 -0.000000 0.000000 
1 1 1    3    0    6 o  175.840   5.1241  210.564   12.157  219.361   17.315  202.011   17.074  179.493   7.1441  172.188   7.3476 -0.000000 0.000000 
1 1 1    3    0    7 f  550.826   9.4712  2060.37   70.603  2063.35   99.868  2057.39   99.827  551.226   13.387  550.427   13.401 -0.000000 0.000000 
1 1 1    3    0    8 o  408.642   7.6076  1133.22   42.045  1172.76   60.451  1096.18   58.517  415.556   10.751  401.728   10.766 -0.000000 0.000000 
1 1 1    3    0    9 o  994.068   15.834  6713.53  213.036  6794.89  303.689  6634.70  298.926 1000.000   22.436  988.135   22.349 -0.000000 0.000000 
1 1 1    3    0   10 o  1624.34   25.321 17966.45  556.753 18040.53  789.612 17893.21  785.143  1627.67   35.838  1621.01   35.781 -0.000000 0.000000 
1 1 1    3    0   11 o  1422.68   22.260 13772.46  428.668 13880.48  609.563 13666.77  602.948  1428.20   31.530  1417.16   31.431 -0.000000 0.000000 
1 1 1    3    0   12 o  769.591   12.566  4023.28  130.898  4028.41  185.287  4018.18  184.949  770.080   17.777  769.101   17.767 -0.000000 0.000000 
1 1 1    3    0   13 o  213.486   5.5170  309.974   15.906  297.851   22.264  322.611   22.731  209.199   7.8790  217.773   7.7246 -0.000000 0.000000 
1 1 1    3    0   14 o  980.994   15.670  6529.21  207.857  6822.84  302.504  6266.58  286.090  1001.86   22.306  960.129   22.014 -0.000000 0.000000 
1 1 1    3    0   15 o  1049.15   23.584  7485.17  334.916   0.0000   0.0000  7485.17  334.916  1049.15   23.584  1049.15   23.584 -0.000000 0.000000 
1 1 1    3    0   16 o  626.820   10.562  2668.37   89.588  2619.67  125.346  2719.22  128.092  620.968   14.915  632.672   14.959 -0.000000 0.000000 
1 1 1    3    0   17 o  496.081   8.7943  1669.47   58.994  1741.60   85.353  1603.50   81.631  506.343   12.456  485.819   12.418 -0.000000 0.000000 
1 1 1    3    0   18 o  321.158   6.6472  699.904   28.849  664.118   39.959  738.864   41.693  312.570   9.4534  329.747   9.3475 -0.000000 0.000000 
1 1 1    3    0   19 o  166.886   5.2914  189.900   11.907  183.181   16.753  196.759   16.928  163.871   7.5810  169.900   7.3841 -0.000000 0.000000 
1 1 1    3    0   20 o  392.595   7.5002  1046.10   39.811  1002.65   55.209  1093.18   57.462  384.091   10.625  401.099   10.588 -0.000000 0.000000 
1 1 1    3    0   21 o  325.507   9.5128  720.235   41.881  720.235   41.881   0.0000   0.0000  325.507   9.5128  325.507   9.5128 -0.000000 0.000000 
1 1 1    3    0   22 o  410.089   10.928  1142.97   60.630  1142.97   60.630   0.0000   0.0000  410.089   10.928  410.089   10.928 -0.000000 0.000000 
1 1 1    3    0   23 o  579.351   9.9405  2281.65   77.936  2301.04  110.785  2262.65  109.660  581.790   14.070  576.912   14.045 -0.000000 0.000000 
1 1 1    3    0   24 o  500.879   8.9061  1700.64   60.283  1609.19   82.768  1803.96   87.978  486.552   12.572  515.206   12.618 -0.000000 0.000000 
1 1 1    3    0   25 o  308.620   6.5991  646.598   27.518  612.527   38.159  683.515   39.721  300.130   9.4032  317.109   9.2612 -0.000000 0.000000 
1 1 1    3    0   26 o  439.626   8.1321  1312.87   48.363  1282.62   67.642  1344.50   69.175  434.436   11.508  444.817   11.493 -0.000000 0.000000 
1 1 1    3    0   27 o  487.294   8.7526  1612.39   57.693  1660.46   82.895  1567.24   80.346  494.344   12.392  480.244   12.364 -0.000000 0.000000 
1 1 1    3    0   28 o  345.715   7.0499  810.243   32.921  757.891   45.355  868.538   47.860  333.905   10.044  357.526   9.8955 -0.000000 0.000000 
1 1 1    3    0   29 o  480.256   8.6797  1562.96   56.333  1476.61   77.440  1660.03   82.098  466.174   12.278  494.338   12.272 -0.000000 0.000000 
1 1 1    3    0   30 o  511.677   9.1033  1772.15   62.915  1659.38   85.992  1902.06   92.293  494.192   12.860  529.162   12.888 -0.000000 0.000000 
1 1 1    3    0   31 o  771.109   17.917  4040.95  186.998   0.0000   0.0000  4040.95  186.998  771.109   17.917  771.109   17.917 -0.000000 0.000000 
1 1 1    3    0   34 o  477.502   8.6954  1543.26   56.077  1443.88   76.643  1657.75   82.266  460.987   12.289  494.016   12.306 -0.000000 0.000000 
1 1 1    3    0   35 o  384.589   7.5645  1004.72   39.349  1025.23   56.186  984.982   55.126  388.449   10.692  380.729   10.704 -0.000000 0.000000 
1 1 1    3    0   36 o  801.025   13.145  4341.08  142.157  4662.26  210.255  4070.62  192.941  828.211   18.755  773.839   18.422 -0.000000 0.000000 
1 1 1    3    0   37 o  830.991   13.574  4677.54  152.377  4414.92  207.764  4983.24  224.157  805.824   19.050  856.159   19.343 -0.000000 0.000000 
1 1 1    3    0   38 o  438.757   8.2481  1305.88   48.921  1366.66   70.936  1250.74   67.558  448.496   11.689  429.017   11.640 -0.000000 0.000000 
1 1 1    3    0   39 o  257.191   9.0831  450.076   31.568  450.076   31.568   0.0000   0.0000  257.191   9.0831  257.191   9.0831 -0.000000 0.000000 
1 1 1    3    0   40 o  935.292   15.109  5935.54  190.972  5639.18  261.340  6275.14  279.751  910.303   21.211  960.281   21.522 -0.000000 0.000000 
1 1 1    3    0   41 o  713.484   11.935  3439.64  114.860  3743.79  171.132  3190.30  154.945  742.029   17.039  684.939   16.716 -0.000000 0.000000 
1 1 1    3    0   42 o  376.106   7.5599  961.278   38.453  936.020   53.926  987.407   54.848  371.063   10.745  381.149   10.638 -0.000000 0.000000 
1 1 1    3    0   43 o  694.896   11.688  3267.16  109.625  3042.89  148.650  3534.55  162.317  668.862   16.422  720.932   16.634 -0.000000 0.000000 
1 1 1    3    0   44 o  370.629   7.5205  933.684   37.691  903.409   52.893  964.917   53.722  364.500   10.729  376.757   10.541 -0.000000 0.000000 
1 1 1    3    0   45 o  656.161   11.143  2928.86   98.955  2934.36  140.402  2923.44  139.489  656.768   15.796  655.554   15.722 -0.000000 0.000000 
1 1 1    3    0   46 f  612.742   10.561  2552.11   87.540  2625.34  126.135  2484.07  121.590  621.219   15.003  604.266   14.869 -0.000000 0.000000 
1 1 1    3    0   47 o  830.969   13.658  4681.45  153.174  5043.57  227.244  4379.92  207.361  860.263   19.516  801.675   19.112 -0.000000 0.000000 
1 1 1    3    0   48 o  475.169   8.7804  1533.96   56.414  1592.12   81.607  1480.73   78.072  483.794   12.466  466.544   12.368 -0.000000 0.000000 
1 1 1    3    0   49 o  104.294   9.3776   75.559   13.007   0.0000   0.0000   75.559   13.007  104.294   9.3776  104.294   9.3776 -0.000000 0.000000 
1 1 1    3    0   50 o  193.626   8.6000  255.810   22.464   0.0000   0.0000  255.810   22.464  193.626   8.6000  193.626   8.6000 -0.000000 0.000000 
1 1 1    3    0   51 o   95.999   7.1351   64.667   9.0009   63.462   13.160   65.726   12.338   94.978   10.558   97.020   9.6003 -0.000000 0.000000 
1 1 1    3    0   52 o  145.644   6.2746  144.953   12.252  157.880   17.949  133.676   16.764  151.783   8.7942  139.505   8.9524 -0.000000 0.000000 
1 1 1    3    0   53 o   75.854   8.8601   42.578   8.1955   38.002   12.023   46.551   11.201   70.982   14.066   80.725   10.777 -0.000000 0.000000 
1 1 1    3    0   54 o  205.339   6.3567  285.419   17.520  328.286   26.050  250.017   23.674  219.411   8.7933  191.266   9.1819 -0.000000 0.000000 
1 1 1    3    0   55 o  250.923   9.3841  429.243   31.808  429.243   31.808   0.0000   0.0000  250.923   9.3841  250.923   9.3841 -0.000000 0.000000 
1 1 1    3    0   56 o  330.702   10.291  745.051   46.019  745.051   46.019   0.0000   0.0000  330.702   10.291  330.702   10.291 -0.000000 0.000000 
1 1 1    3    0   57 o  373.549   7.6967  946.948   38.798  867.480   53.115  1037.85   56.807  356.748   11.011  390.350   10.758 -0.000000 0.000000 
1 1 1    3    0   58 o  116.294   6.8635   93.777   10.624   93.593   15.473   93.942   14.613  116.100   10.006  116.488   9.3978 -0.000000 0.000000 
1 1 1    3    0   59 f   88.325   8.4704   56.981   9.2304   46.080   13.400   66.822   12.733   78.933   13.787   97.717   9.8446 -0.000000 0.000000 
1 1 1    3    0   60 o  214.121   6.4511  312.402   18.617  327.451   27.198  299.135   25.536  218.973   9.2026  209.269   9.0432 -0.000000 0.000000 
1 1 1    3    0   61 o  204.436   6.4763  285.842   17.805  258.553   24.958  314.128   25.409  194.361   9.5280  214.512   8.7743 -0.000000 0.000000 
1 1 1    3    0   62 o  132.921   6.7037  121.872   11.924  122.410   17.241  121.380   16.508  133.158   9.6717  132.685   9.2854 -0.000000 0.000000 
1 1 1    3    0   63 o  133.427   6.8555  123.421   12.189  114.466   17.580  131.711   16.914  128.529   10.243  138.325   9.1143 -0.000000 0.000000 
1 1 1    3    0   64 o  253.114   6.8084  437.355   23.206  393.849   32.349  483.477   33.308  240.021   9.9850  266.207   9.2583 -0.000000 0.000000 
1 1 1    3    0   65 o  333.918   10.369  760.933   46.816   0.0000   0.0000  760.933   46.816  333.918   10.369  333.918   10.369 -0.000000 0.000000 
1 1 1    3    0   66 o  261.938   9.5823  468.541   33.910   0.0000   0.0000  468.541   33.910  261.938   9.5823  261.938   9.5823 -0.000000 0.000000 
1 1 1    3    0   67 o  147.899   6.9718  149.115   13.714  177.824   20.547  126.052   18.416  160.850   9.5021  134.949   10.205 -0.000000 0.000000 
1 1 1    3    0   68 o  296.315   7.1523  599.539   28.616  564.202   40.000  636.586   40.956  287.299   10.304  305.331   9.9222 -0.000000 0.000000 
1 1 1    3    0   69 o  118.584   7.6019   98.463   11.918   88.298   16.888  108.547   16.821  112.109   11.385  125.059   10.076 -0.000000 0.000000 
1 1 1    3    0   70 o  250.125   9.8154  428.081   33.153  428.081   33.153   0.0000   0.0000  250.125   9.8154  250.125   9.8154 -0.000000 0.000000 
1 1 1    3    0   71 o   90.753   10.673   63.300   11.025   82.439   15.369   43.012   15.824  108.395   10.702   73.111   18.469 -0.000000 0.000000 
1 1 1    3    0   72 o   73.205   10.951   41.000   9.5136   47.007   14.103   35.984   12.888   79.125   14.622   67.286   16.308 -0.000000 0.000000 
1 1 1    3    0   73 o   47.358   13.443   21.246   8.5125   25.628   12.531   17.491   11.600   52.994   19.062   41.721   18.961 -0.000000 0.000000 
1 1 1    3    0   74 o  126.827   7.3912  112.967   12.367   96.846   17.615  128.635   17.366  117.353   11.319  136.301   9.5083 -0.000000 0.000000 
1 1 1    3    0   75 o  166.903   6.8301  190.793   15.253  218.358   22.628  167.834   20.651  178.044   9.4391  155.762   9.8744 -0.000000 0.000000 
1 1 1    3    0   76 o  137.910   7.1548  131.711   13.174  140.921   19.467  123.930   17.894  142.375   10.211  133.446   10.025 -0.000000 0.000000 
1 1 1    3    0   77 o   74.650   10.574   42.301   9.4267   48.864   14.222   37.158   12.590   80.579   14.391   68.721   15.495 -0.000000 0.000000 
1 1 1    3    0   78 o  179.197   6.7928  222.337   16.364  215.183   23.495  229.076   22.805  176.255   9.9085  182.139   9.2947 -0.000000 0.000000 
1 1 1    3    0   79 f  166.303   9.5872  191.784   21.442   0.0000   0.0000  191.784   21.442  166.303   9.5872  166.303   9.5872 -0.000000 0.000000 
1 1 1    3    0   80 o  106.215   10.718   80.154   15.067   0.0000   0.0000   80.154   15.067  106.215   10.718  106.215   10.718 -0.000000 0.000000 
1 1 1    3    0   81 o   60.898   11.232   33.800   8.9193   14.459   12.712   52.556   12.518   36.875   19.317   84.922   11.466 -0.000000 0.000000 
1 1 1    3    0   82 o  142.796   6.9673  142.598   13.312  154.147   19.258  132.030   18.422  148.486   9.6644  137.106   10.039 -0.000000 0.000000 
1 1 1    3    0   83 o  107.855   7.9969   84.068   11.141   69.000   15.633   99.618   15.881   97.044   12.449  118.665   10.041 -0.000000 0.000000 
1 1 1    3    0   84 o  124.974   10.498  110.973   17.490  110.973   17.490   0.0000   0.0000  124.974   10.498  124.974   10.498 -0.000000 0.000000 
1 1 1    3    0   85 o   39.803   10.118   9.8027   7.9360   32.109   11.635  -9.6011   10.852   61.945   16.039   17.661   12.338 -0.000000 0.000000 
1 1 1    3    0   86 o   35.144   12.508   12.894   7.7527   18.512   11.235   7.7884   10.712   41.772   18.666   28.516   16.656 -0.000000 0.000000 
1 1 1    3    0   87 o  111.049   8.0364   87.914   11.376  117.309   17.285   65.452   15.109  128.344   10.081   93.753   12.518 -0.000000 0.000000 
1 1 1    3    0   88 o   70.590   11.588   40.750   9.5495   56.633   14.537   28.692   12.666   86.221   13.407   54.959   18.905 -0.000000 0.000000 
1 1 1    3    0   89 o   57.355   13.008   30.783   9.0787   25.877   12.954   35.518   12.728   50.296   19.799   64.414   16.876 -0.000000 0.000000 
1 1 1    3    0   90 o   38.305   12.833   15.329   8.3175   23.787   12.184   7.9480   11.382   47.983   19.267   28.627   16.958 -0.000000 0.000000 
1 1 1    3    0   91 o   59.266   12.405   31.836   9.2267   46.215   13.872   20.428   12.356   75.703   15.259   42.830   19.564 -0.000000 0.000000 
1 1 1    3    0   92 o   21.467   14.154  -0.4333   10.566   0.0000   0.0000  -0.4333   10.566   21.467   14.154   21.467   14.154 -0.000000 0.000000 
1 1 1    3    0   93 o   29.510   17.125   9.3994   11.211   0.0000   0.0000   9.3994   11.211   29.510   17.125   29.510   17.125 -0.000000 0.000000 
1 1 1    3    0   94 o   21.591   14.275  -0.3202   10.867   0.0000   0.0000  -0.3202   10.867   21.591   14.275   21.591   14.275 -0.000000 0.000000 
1 1 1    3    1    0 o  446.408   7.1178  1386.62   41.086  1222.32   66.952  1485.87   52.036  424.599   11.636  468.216   8.2012 -43.61722 14.23562 
1 1 1    3    1    1 o  357.393   9.8801  865.853   47.851  865.853   47.851   0.0000   0.0000  357.393   9.8801  ?   ?       ?      ? 
1 1 1    3    1    2 f  520.442   7.9318  1865.41   53.347  1736.47   88.503  1938.99   66.858  506.042   12.906  534.841   9.2246 -28.79886 15.86363 
1 1 1    3    1    3 o  394.212   10.510  1053.52   56.145  1053.52   56.145   0.0000   0.0000  394.212   10.510  ?   ?       ?      ? 
1 1 1    3    1    4 o  412.052   10.826  1151.07   60.453  1151.07   60.453   0.0000   0.0000  412.052   10.826  ?   ?       ?      ? 
1 1 1    3    1    5 o  446.766   7.0134  1359.27   40.087  1334.19   68.912  1372.09   49.284  443.602   11.464  449.930   8.0831 -6.328217 14.02679 
1 1 1    3    1    6 o  714.692   8.3213  3463.30   80.592  3463.93  114.017  3462.67  113.933  714.757   11.771  714.627   11.765 0.1296387 16.64263 
1 1 1    3    1    8 o  578.127   9.8518  2265.79   77.183  2265.79   77.183   0.0000   0.0000  578.127   9.8518  ?   ?       ?      ? 
1 1 1    3    1   10 o  1352.69   14.958 12425.32  274.134 12641.46  392.262 12218.99  383.264  1364.17   21.219  1341.20   21.087 22.96753 29.91521 
1 1 1    3    1   11 o  483.471   6.0672  1583.31   39.736  1633.68   57.100  1536.01   55.332  490.922   8.5831  476.020   8.5776 14.90173 12.13442 
1 1 1    3    1   12 o  792.906   11.150  4231.05  112.314  4367.89  198.221  4166.34  136.305  802.062   18.237  783.750   12.834 18.31232 22.30021 
1 1 1    3    1   13 o  940.839   21.271  6015.89  271.193  6015.89  271.193   0.0000   0.0000  940.839   21.271  ?   ?       ?      ? 
1 1 1    3    1   15 o  1004.69   11.303  6851.08  153.856  6973.65  220.107  6733.98  215.148  1013.47   16.027  995.913   15.942 17.55658 22.60504 
1 1 1    3    1   16 o  763.659   10.861  4014.66  107.107  4151.15  133.926  3772.44  178.410  782.175   12.635  745.144   17.668 37.03125 21.72133 
1 1 1    3    1   17 o  458.763   7.1834  1433.66   42.184  1446.48   51.884  1408.65   72.454  461.882   8.2893  455.643   11.734 6.238312 14.36675 
1 1 1    3    1   18 o  169.337   3.7120  194.348   8.5165  199.353   12.091  189.420   11.998  171.501   5.2026  167.173   5.2960 4.328003 7.423923 
1 1 1    3    1   19 o  430.343   6.8741  1256.44   37.785  1256.65   46.270  1256.03   65.467  430.484   7.9315  430.202   11.230 0.2814026 13.74827 
1 1 1    3    1   20 o  330.858   5.8654  746.704   24.823  755.589   30.532  729.381   42.632  333.832   6.7492  327.884   9.5948 5.947968 11.73081 
1 1 1    3    1   21 o  476.642   6.0459  1540.63   39.046  1571.59   55.751  1510.83   54.703  481.341   8.5470  471.944   8.5534 9.397003 12.09184 
1 1 1    3    1   22 o  461.723   8.3603  1446.09   52.310  1446.09   52.310   0.0000   0.0000  461.723   8.3603  ?   ?       ?      ? 
1 1 1    3    1   23 o  604.953   8.9132  2491.64   68.999  2468.39  118.819  2503.47   84.753  602.567   14.551  607.339   10.298 -4.772156 17.82634 
1 1 1    3    1   24 o  625.479   7.4738  2655.09   63.346  2680.21   90.102  2630.55   89.076  628.402   10.581  622.555   10.558 5.846802 14.94769 
1 1 1    3    1   25 o  416.807   7.8145  1178.15   44.139  1178.15   44.139   0.0000   0.0000  416.807   7.8145  ?   ?       ?      ? 
1 1 1    3    1   26 o  202.714   4.0204  278.312   11.038  266.198   15.381  291.179   15.851  198.168   5.7274  207.259   5.6437 -9.091095 8.040768 
1 1 1    3    1   27 o  288.706   6.3972  565.166   25.025  575.653   35.703  555.038   35.086  291.338   9.0433  286.074   9.0506 5.264404 12.79433 
1 1 1    3    1   28 o  505.962   7.7718  1726.63   50.076  1766.15   87.770  1707.56   60.973  510.122   12.697  501.801   8.9665 8.321625 15.54365 
1 1 1    3    1   29 o  678.019   8.0259  3118.64   73.742  3119.97  104.223  3117.31  104.352  678.165   11.341  677.874   11.360 0.2901611 16.05176 
1 1 1    3    1   30 o  426.005   5.6537  1230.22   32.637  1217.63   45.862  1243.13   46.454  423.797   7.9856  428.212   8.0054 -4.414185 11.30735 
1 1 1    3    1   31 o  355.615   6.1772  850.204   28.026  878.722   49.068  836.395   34.144  359.966   10.059  351.264   7.1729 8.701904 12.35446 
1 1 1    3    1   32 o  690.815   8.1591  3236.69   76.376  3277.57  108.802  3196.97  107.237  695.114   11.550  686.515   11.527 8.599304 16.31819 
1 1 1    3    1   33 o  468.571   8.5255  1488.57   54.135  1488.57   54.135   0.0000   0.0000  468.571   8.5255  ?   ?       ?      ? 
1 1 1    3    1   34 o  719.149   10.354  3544.20   95.781  3620.85  118.826  3402.01  161.840  730.572   12.002  707.727   16.875 22.84497 20.70780 
1 1 1    3    1   35 o  453.053   7.2150  1365.10   41.371  1319.28   49.831  1466.76   74.219  441.122   8.3360  464.985   11.779 -23.86249 14.43001 
1 1 1    3    1   36 o  613.537   10.477  2550.43   87.014  2438.94  119.726  2675.24  126.680  599.362   14.741  627.713   14.892 -28.35052 20.95403 
1 1 1    3    1   37 o  989.107   13.777  6748.86  176.137  6989.33  220.594  6325.88  292.564  1014.36   16.048  963.857   22.399 50.49982 27.55445 
1 1 1    3    1   38 o  766.058   10.918  3943.20  105.960  3867.25  128.156  4107.29  188.374  754.856   12.528  777.260   17.884 -22.40393 21.83588 
1 1 1    3    1   39 o  860.239   9.8765  5024.34  115.123  5092.27  164.207  4958.68  161.445  865.952   13.993  854.525   13.942 11.42706 19.75301 
1 1 1    3    1   40 o  723.758   10.417  3507.41   95.326  3700.90  170.609  3419.58  114.941  737.730   17.066  709.786   11.950 27.94379 20.83351 
1 1 1    3    1   41 o  675.302   8.0473  3091.80   73.599  3203.13  106.309  2989.32  101.995  686.960   11.420  663.644   11.341 23.31604 16.09457 
1 1 1    3    1   42 o  1048.40   11.855  7474.17  168.388  7339.77  235.231  7615.42  241.153  1038.75   16.711  1058.05   16.819 -19.29858 23.70942 
1 1 1    3    1   43 o  469.936   8.6510  1498.05   55.092   0.0000   0.0000  1498.05   55.092  ?   ?   469.936   8.6510      ?      ? 
1 1 1    3    1   44 o  530.336   6.6663  1908.52   47.909  1901.90   67.626  1915.19   67.881  529.412   9.4263  531.259   9.4289 -1.847351 13.33261 
1 1 1    3    1   45 o  604.812   10.437  2483.54   85.544  2483.54   85.544   0.0000   0.0000  604.812   10.437  ?   ?       ?      ? 
1 1 1    3    1   46 o  602.470   7.3584  2463.99   60.065  2415.72   83.999  2514.49   85.923  596.436   10.393  608.503   10.420 -12.06702 14.71676 
1 1 1    3    1   47 o  732.863   8.6256  3651.51   85.662  3640.53  120.883  3662.59  121.408  731.758   12.190  733.969   12.206 -2.210388 17.25111 
1 1 1    3    1   48 o  626.117   9.3129  2685.83   74.892  2610.94  127.340  2725.44   92.599  618.948   15.182  633.287   10.790 -14.33862 18.62573 
1 1 1    3    1   49 o  550.805   13.743  2066.54  102.576  2066.54  102.576   0.0000   0.0000  550.805   13.743  ?   ?       ?      ? 
1 1 1    3    1   50 o  374.328   7.5689  951.097   38.394  951.097   38.394   0.0000   0.0000  374.328   7.5689  ?   ?       ?      ? 
1 1 1    3    1   51 o  153.792   5.3077  161.996   10.469  165.127   12.938  156.058   17.816  156.012   6.1195  151.571   8.6741 4.441360 10.61546 
1 1 1    3    1   52 o  369.516   5.3469  927.016   26.773  917.547   37.643  936.709   38.086  367.607   7.5565  371.425   7.5669 -3.817749 10.69382 
1 1 1    3    1   53 o  400.826   5.6027  1090.97   30.428  1071.26   42.593  1111.52   43.483  397.130   7.9145  404.522   7.9322 -7.391724 11.20536 
1 1 1    3    1   54 o  347.397   6.4620  835.497   28.778  869.488   35.768  773.104   48.461  357.811   7.3767  336.982   10.612 20.82956 12.92405 
1 1 1    3    1   55 o  115.384   4.7074   90.394   7.3591   90.233   10.511   90.549   10.307  115.281   6.7283  115.488   6.5856 -0.2066574 9.414861 
1 1 1    3    1   56 o  261.390   9.4482  464.959   33.467  464.959   33.467   0.0000   0.0000  261.390   9.4482  ?   ?       ?      ? 
1 1 1    3    1   57 o  242.085   5.6505  397.398   17.440  401.383   30.398  395.444   21.293  242.852   9.2367  241.317   6.5113 1.535431 11.30104 
1 1 1    3    1   58 o  310.177   4.9790  653.679   20.928  655.056   29.590  652.300   29.605  310.505   7.0322  309.849   7.0506 0.6559143 9.958007 
1 1 1    3    1   59 o  301.659   6.9890  618.345   28.570   0.0000   0.0000  618.345   28.570  ?   ?   301.659   6.9890      ?      ? 
1 1 1    3    1   60 o  271.802   4.7722  501.800   17.572  484.856   24.616  519.407   25.093  267.119   6.8002  276.485   6.6972 -9.365601 9.544419 
1 1 1    3    1   61 o  213.055   4.5458  308.379   13.117  294.265   18.428  322.873   18.675  208.105   6.5345  218.006   6.3213 -9.900894 9.091648 
1 1 1    3    1   62 o  259.172   4.7306  456.524   16.614  458.353   23.612  454.730   23.380  259.684   6.7098  258.660   6.6702 1.023712 9.461146 
1 1 1    3    1   63 o  233.421   4.6626  370.357   14.747  362.716   20.804  378.072   20.906  230.996   6.6461  235.847   6.5413 -4.851166 9.325164 
1 1 1    3    1   64 o  301.516   6.1107  620.996   23.623  614.969   40.501  624.104   29.082  300.122   9.9582  302.910   7.0849 -2.788605 12.22138 
1 1 1    3    1   65 o  284.031   6.9698  548.765   26.827  548.765   26.827   0.0000   0.0000  284.031   6.9698  ?   ?       ?      ? 
1 1 1    3    1   66 o  225.446   5.6091  342.373   16.252  334.380   19.922  358.277   28.102  221.736   6.6299  229.156   9.0494 -7.420029 11.21811 
1 1 1    3    1   67 o  316.698   6.1822  667.229   24.927  636.729   30.121  733.507   44.402  305.831   7.2678  327.565   10.003 -21.73450 12.36441 
1 1 1    3    1   68 o  122.686   5.0753  102.463   8.4370  104.477   12.027  100.512   11.838  123.874   7.1648  121.498   7.1902 2.375740 10.15052 
1 1 1    3    1   69 o   85.430   7.6465   51.289   8.1885   53.568   9.9864   46.613   14.305   88.604   8.3172   82.255   12.834 6.348755 15.29307 
1 1 1    3    1   70 o  172.850   4.7195  203.270   11.046  214.949   15.848  192.236   15.404  177.686   6.5819  168.014   6.7656 9.672180 9.438983 
1 1 1    3    1   71 f  123.641   6.9154  116.129   10.187   77.588   17.512  135.840   12.524  106.058   12.185  141.225   6.5440 -35.16747 13.83087 
1 1 1    3    1   72 o   91.139   7.0667   54.456   8.1291   64.162   14.919   50.358   9.6945   96.468   11.413   85.809   8.3370 10.65923 14.13335 
1 1 1    3    1   73 o  130.542   4.9792  116.196   8.8024  122.160   12.673  110.637   12.235  133.782   6.9906  127.302   7.0924 6.479706 9.958426 
1 1 1    3    1   74 o  119.611   5.1094   97.569   8.2705  104.831   11.998   90.994   11.416  123.853   7.1483  115.369   7.3023 8.484238 10.21872 
1 1 1    3    1   75 o   99.659   5.5611   67.802   7.4566   79.853   10.910   57.236   10.215  107.994   7.4546   91.323   8.2543 16.67091 11.12225 
1 1 1    3    1   76 o  139.334   4.9892  133.129   9.3973  122.341   13.279  143.952   13.301  133.613   7.3337  145.056   6.7665 -11.44301 9.978459 
1 1 1    3    1   77 o  110.485   5.3399   84.008   7.9707   76.673   11.286   91.308   11.259  105.596   7.8868  115.375   7.2011 -9.778671 10.67977 
1 1 1    3    1   78 o   69.155   9.0324   40.570   7.5150   18.908   12.649   52.388   9.3425   51.108   16.243   87.203   7.9059 -36.09460 18.06480 
1 1 1    3    1   79 o  172.463   4.8279  204.442   11.278  198.139   15.989  210.684   15.911  169.773   6.9496  175.153   6.7034 -5.379425 9.655737 
1 1 1    3    1   80 o  133.093   5.9337  122.086   10.256  120.107   12.756  125.703   17.249  132.009   7.1305  134.178   9.4863 -2.169464 11.86732 
1 1 1    3    1   81 o   73.371   8.1338   39.561   7.4424   41.492   9.3121   36.148   12.383   77.102   8.9125   69.641   13.609 7.461327 16.26764 
1 1 1    3    1   82 o  109.943   5.3594   83.895   7.9845   83.453   11.331   84.330   11.253  109.640   7.6261  110.246   7.5324 -0.6069336 10.71889 
1 1 1    3    1   83 o   73.208   8.5178   41.237   7.5874   45.526   9.4342   33.384   12.767   80.564   8.6413   65.852   14.681 14.71227 17.03562 
1 1 1    3    1   84 f   27.182   8.0540   0.6845   5.1654   4.7980   7.4323  -3.1587   7.1840   30.993   12.150   23.371   10.576 7.622118 16.10791 
1 1 1    3    1   85 o   65.205   8.9580   31.947   7.2626   31.846   12.731   31.996   8.8425   63.490   15.030   66.920   9.7507 -3.429710 17.91597 
1 1 1    3    1   86 o   55.779   8.1202   23.471   5.9338   24.904   8.4532   22.079   8.3314   57.611   11.231   53.947   11.731 3.664276 16.24045 
1 1 1    3    1   87 o   53.059   8.3567   21.546   5.8676   24.299   8.3298   18.835   8.2668   56.756   11.228   49.362   12.380 7.393570 16.71339 
1 1 1    3    1   88 o   62.628   7.6447   29.443   6.2217   22.681   8.7750   36.278   8.8228   54.162   12.243   71.094   9.1578 -16.93286 15.28934 
1 1 1    3    1   89 o  105.883   5.6404   79.636   8.0863   76.526   11.488   82.689   11.384  103.713   8.1742  108.054   7.7744 -4.341187 11.28087 
1 1 1    3    1   90 o   29.827   8.9947   2.2761   6.2335   0.9875   10.465   2.9846   7.7603   30.696   13.382   28.958   12.023 1.738497 17.98938 
1 1 1    3    1   91 o   52.671   11.132   23.545   8.5899   21.433   12.231   25.600   12.067   50.290   15.971   55.053   15.511 -4.763847 22.26333 
1 1 1    3    1   92 o   53.530   12.825   23.025   9.1812   0.0000   0.0000   23.025   9.1812  ?   ?    53.530   12.825      ?      ? 
1 1 1    3    1   93 o   36.371   10.232   7.1319   8.0201   14.863   11.412  -0.4118   11.273   42.594   15.399   30.149   13.477 12.44440 20.46411 
1 1 1    3    1   94 o   46.862   16.149   19.604   12.434   19.604   12.434   0.0000   0.0000   46.862   16.149  ?   ?       ?      ? 
1 1 1    3    1   95 o   36.959   15.092   9.4852   11.964   9.4852   11.964   0.0000   0.0000   36.959   15.092  ?   ?       ?      ? 
1 1 1    3    2    0 o  173.753   4.5617  208.434   10.047  193.519   17.326  215.990   12.333  168.976   7.5665  178.531   5.0975 -9.554977 9.123419 
1 1 1    3    2    1 o  405.115   7.6066  1111.98   41.746  1081.40   58.214  1144.35   59.898  399.385   10.756  410.845   10.759 -11.46014 15.21313 
1 1 1    3    2    2 o  663.337   11.054  2985.02   99.362  2992.30  140.734  2977.78  140.306  664.143   15.637  662.530   15.627 1.613037 22.10730 
1 1 1    3    2    3 o  352.235   6.9670  841.063   33.255  843.259   47.057  838.873   47.002  352.694   9.8457  351.775   9.8599 0.9184875 13.93394 
1 1 1    3    2    4 o  606.409   8.9011  2516.15   69.336  2422.04  117.602  2566.29   85.842  597.558   14.523  615.261   10.296 -17.70294 17.80217 
1 1 1    3    2    5 o  968.604   13.386  6387.26  166.008  6311.95  285.403  6425.77  204.085  963.977   21.848  973.230   15.474 -9.253479 26.77283 
1 1 1    3    2    6 o  700.345   8.1726  3325.25   77.557  3286.57  108.871  3365.10  110.512  696.212   11.540  704.479   11.576 -8.267151 16.34518 
1 1 1    3    2    7 o  906.221   10.294  5569.96  126.405  5499.98  177.266  5642.35  180.301  900.433   14.528  912.009   14.589 -11.57544 20.58831 
1 1 1    3    2    8 f  1140.48   15.583  8802.87  226.361  8938.92  395.849  8736.77  275.926  1146.48   25.479  1134.49   17.948 11.98535 31.16556 
1 1 1    3    2    9 o  832.830   19.025  4709.75  214.715  4709.75  214.715   0.0000   0.0000  832.830   19.025  ?   ?       ?      ? 
1 1 1    3    2   10 o  394.464   7.4686  1054.67   39.924  1054.67   39.924   0.0000   0.0000  394.464   7.4686  ?   ?       ?      ? 
1 1 1    3    2   11 f  772.461   12.612  4047.22  132.017   0.0000   0.0000  4047.22  132.017  ?   ?   772.461   12.612      ?      ? 
1 1 1    3    2   12 o  574.281   6.9522  2235.80   54.100  2265.00   77.071  2207.42   75.960  577.977   9.8400  570.584   9.8239 7.393555 13.90450 
1 1 1    3    2   13 o  695.001   8.1417  3275.99   76.679  3258.89  108.027  3293.34  108.859  693.174   11.500  696.827   11.528 -3.652832 16.28347 
1 1 1    3    2   15 o  554.748   6.7595  2086.90   50.815  2091.29   71.902  2082.52   71.825  555.331   9.5545  554.164   9.5644 1.166870 13.51906 
1 1 1    3    2   16 o  921.489   12.810  5779.94  150.906  5794.17  185.084  5751.71  260.637  923.701   14.786  919.276   20.922 4.424561 25.61968 
1 1 1    3    2   18 o  470.348   7.3362  1508.35   44.170  1523.63   54.347  1478.63   75.812  473.983   8.4612  466.713   11.987 7.269379 14.67233 
1 1 1    3    2   19 o  565.638   6.8973  2170.59   52.867  2194.07   75.164  2147.60   74.373  568.665   9.7537  562.611   9.7550 6.054077 13.79469 
1 1 1    3    2   20 o  419.160   5.5286  1191.46   31.402  1180.68   44.150  1202.49   44.673  417.243   7.8083  421.078   7.8290 -3.835327 11.05721 
1 1 1    3    2   21 o  395.531   7.5764  1060.98   40.609   0.0000   0.0000  1060.98   40.609  ?   ?   395.531   7.5764      ?      ? 
1 1 1    3    2   22 f  291.761   5.5471  582.182   20.715  592.453   25.535  562.411   35.427  295.604   6.3744  287.917   9.0800 7.687164 11.09414 
1 1 1    3    2   23 o  401.486   6.6446  1103.62   34.277  1061.85   58.094  1125.92   42.455  395.516   10.839  407.456   7.6889 -11.94019 13.28914 
1 1 1    3    2   24 o  448.142   11.613  1363.42   70.525  1363.42   70.525   0.0000   0.0000  448.142   11.613  ?   ?       ?      ? 
1 1 1    3    2   25 o  348.419   4.9638  823.077   23.437  824.173   33.112  821.976   33.177  348.652   7.0083  348.186   7.0315 0.4656677 9.927670 
1 1 1    3    2   26 o  421.156   5.5820  1202.60   31.856  1218.71   45.284  1186.82   44.822  423.947   7.8823  418.364   7.9060 5.583099 11.16402 
1 1 1    3    2   27 o  483.326   8.6751  1584.09   56.820  1584.09   56.820   0.0000   0.0000  483.326   8.6751  ?   ?       ?      ? 
1 1 1    3    2   29 o  510.690   12.783  1769.72   88.462  1769.72   88.462   0.0000   0.0000  510.690   12.783  ?   ?       ?      ? 
1 1 1    3    2   30 o  722.836   11.980  3544.62  117.346  3544.62  117.346   0.0000   0.0000  722.836   11.980  ?   ?       ?      ? 
1 1 1    3    2   31 o  295.265   4.6232  590.837   18.497  582.186   25.981  599.729   26.340  293.073   6.5418  297.456   6.5345 -4.382904 9.246320 
1 1 1    3    2   32 o  628.495   7.5406  2678.58   64.218  2716.80   91.472  2641.44   90.179  632.915   10.665  624.075   10.663 8.839966 15.08126 
1 1 1    3    2   33 o  784.428   12.894  4175.12  137.061  4175.12  137.061   0.0000   0.0000  784.428   12.894  ?   ?       ?      ? 
1 1 1    3    2   34 o  781.784   9.0811  4147.10   96.207  4141.99  135.778  4152.25  136.338  781.302   12.824  782.265   12.861 -0.9630127 18.16222 
1 1 1    3    2   35 o  443.338   8.2476  1332.57   49.550  1332.57   49.550   0.0000   0.0000  443.338   8.2476  ?   ?       ?      ? 
1 1 1    3    2   36 o  483.448   8.7635  1584.79   57.413  1584.79   57.413   0.0000   0.0000  483.448   8.7635  ?   ?       ?      ? 
1 1 1    3    2   37 o  503.512   6.3863  1718.56   43.567  1759.98   62.320  1678.97   60.930  509.443   9.0272  497.581   9.0361 11.86209 12.77269 
1 1 1    3    2   38 o  471.691   6.1132  1507.05   39.053  1454.56   54.139  1563.99   56.389  463.139   8.6261  480.243   8.6647 -17.10428 12.22648 
1 1 1    3    2   39 o  973.930   11.053  6443.31  145.855  6570.19  208.804  6322.41  203.827  983.283   15.670  964.578   15.593 18.70532 22.10686 
1 1 1    3    2   40 o  911.419   12.767  5661.40  148.907  5623.75  256.536  5680.53  182.866  908.496   20.837  914.341   14.759 -5.845398 25.53446 
1 1 1    3    2   41 o  372.038   10.653  939.301   53.711   0.0000   0.0000  939.301   53.711  ?   ?   372.038   10.653      ?      ? 
1 1 1    3    2   42 o  566.704   8.5895  2176.46   62.056  2168.20   75.777  2193.28  108.132  565.280   9.8922  568.128   14.045 -2.848145 17.17904 
1 1 1    3    2   43 o  489.341   8.8847  1624.52   58.916  1624.52   58.916   0.0000   0.0000  489.341   8.8847  ?   ?       ?      ? 
1 1 1    3    2   44 o  368.611   7.4703  921.541   37.315  921.541   37.315   0.0000   0.0000  368.611   7.4703  ?   ?       ?      ? 
1 1 1    3    2   45 o  248.929   4.5223  419.772   15.243  397.360   21.221  443.664   21.910  242.069   6.4690  255.789   6.3210 -13.72002 9.044533 
1 1 1    3    2   46 o  433.511   11.612  1277.08   68.214  1277.08   68.214   0.0000   0.0000  433.511   11.612  ?   ?       ?      ? 
1 1 1    3    2   47 o  425.464   11.477  1230.40   66.174  1230.40   66.174   0.0000   0.0000  425.464   11.477  ?   ?       ?      ? 
1 1 1    3    2   48 o  504.604   6.4682  1728.33   44.220  1691.55   61.747  1767.05   63.357  499.098   9.1296  510.110   9.1654 -11.01126 12.93649 
1 1 1    3    2   49 o  347.018   7.2886  817.203   34.275  817.203   34.275   0.0000   0.0000  347.018   7.2886  ?   ?       ?      ? 
1 1 1    3    2   50 o  350.553   5.1877  833.975   24.643  846.716   35.066  821.544   34.638  353.199   7.3262  347.907   7.3469 5.291290 10.37548 
1 1 1    3    2   51 o  163.757   4.3484  181.942   9.6493  181.249   13.683  182.628   13.610  163.445   6.1776  164.068   6.1214 -0.6220856 8.696768 
1 1 1    3    2   52 o  355.069   7.4027  856.011   35.619  856.011   35.619   0.0000   0.0000  355.069   7.4027  ?   ?       ?      ? 
1 1 1    3    2   53 o  407.992   7.0211  1152.68   36.790  1200.26   45.824  1066.39   61.708  420.330   8.0449  395.654   11.509 24.67682 14.04213 
1 1 1    3    2   54 o  246.720   4.5869  413.186   15.335  414.798   21.773  411.598   21.603  247.196   6.4996  246.243   6.4740 0.9534760 9.173749 
1 1 1    3    2   55 f  202.678   6.3135  278.853   17.340  278.853   17.340   0.0000   0.0000  202.678   6.3135  ?   ?       ?      ? 
1 1 1    3    2   56 o  269.090   4.7250  491.687   17.229  483.742   24.274  499.752   24.457  266.897   6.7114  271.282   6.6526 -4.385742 9.449908 
1 1 1    3    2   57 o  211.277   5.5281  301.291   14.847  309.616   26.137  297.325   18.040  213.301   9.0424  209.253   6.3618 4.047531 11.05616 
1 1 1    3    2   58 o  204.895   9.1070  285.792   25.287  285.792   25.287   0.0000   0.0000  204.895   9.1070  ?   ?       ?      ? 
1 1 1    3    2   59 o  315.391   5.0455  675.921   21.562  663.200   30.272  689.022   30.720  312.377   7.1512  318.405   7.1196 -6.027710 10.09097 
1 1 1    3    2   60 o  214.901   4.5879  313.684   13.349  295.596   18.705  332.455   19.055  208.578   6.6178  221.224   6.3562 -12.64630 9.175853 
1 1 1    3    2   61 o  296.034   6.9998  595.749   28.081  595.749   28.081   0.0000   0.0000  296.034   6.9998  ?   ?       ?      ? 
1 1 1    3    2   62 o  194.511   5.4776  252.552   13.607  271.954   23.989  243.349   16.521  199.787   8.8606  189.235   6.4427 10.55203 10.95524 
1 1 1    3    2   63 o  215.594   5.6300  318.099   15.504  311.366   26.705  321.523   19.042  213.691   9.2221  217.498   6.4606 -3.806473 11.25997 
1 1 1    3    2   64 o  278.076   4.8851  525.900   18.408  524.290   26.066  527.501   26.001  277.648   6.9278  278.503   6.8893 -0.8547058 9.770271 
1 1 1    3    2   65 o  237.434   4.7443  382.953   15.256  401.134   21.978  366.047   21.194  242.870   6.6776  231.997   6.7413 10.87305 9.488687 
1 1 1    3    2   66 o  214.836   4.6737  313.813   13.605  319.691   19.439  308.169   19.047  216.807   6.6164  212.865   6.6029 3.941422 9.347447 
1 1 1    3    2   67 o  101.676   7.6892   70.423   10.595   70.423   10.595   0.0000   0.0000  101.676   7.6892  ?   ?       ?      ? 
1 1 1    3    2   68 o  177.014   6.6902  213.229   16.048  213.229   16.048   0.0000   0.0000  177.014   6.6902  ?   ?       ?      ? 
1 1 1    3    2   69 o  292.718   5.0389  583.594   19.987  587.904   28.459  579.399   28.075  293.780   7.1486  291.657   7.1035 2.123077 10.07777 
1 1 1    3    2   70 o  365.176   5.5089  909.465   27.257  931.213   38.961  888.620   38.145  369.453   7.7820  360.899   7.7995 8.553680 11.01779 
1 1 1    3    2   71 f  326.515   5.2611  726.308   23.261  763.418   33.611  692.193   32.226  334.516   7.4145  318.514   7.4661 16.00208 10.52221 
1 1 1    3    2   72 f  227.003   5.9648  355.851   17.190  343.130   29.827  362.178   21.035  223.533   9.8465  230.472   6.7351 -6.938583 11.92958 
1 1 1    3    2   73 o  147.474   5.9948  144.380   11.134  161.559   20.318  137.007   13.310  153.278   9.7818  141.670   6.9332 11.60869 11.98969 
1 1 1    3    2   74 o   73.573   6.5480   37.165   6.5225   38.606   9.4751   35.868   8.9923   74.917   9.3330   72.229   9.1871 2.688408 13.09608 
1 1 1    3    2   75 f  152.206   4.8718  158.580   10.035  149.216   14.207  167.902   14.175  147.674   7.0993  156.737   6.6737 -9.062469 9.743682 
1 1 1    3    2   76 o  145.171   4.9351  144.464   9.6976  137.650   13.785  151.140   13.645  141.734   7.1772  148.607   6.7755 -6.872849 9.870191 
1 1 1    3    2   77 o  173.253   5.8297  202.010   12.870  220.852   22.841  193.245   15.578  178.593   9.4378  167.914   6.8462 10.67896 11.65945 
1 1 1    3    2   78 o  126.450   5.0934  109.888   8.7242  110.173   12.528  109.621   12.156  126.584   7.3036  126.317   7.1013 0.2671661 10.18684 
1 1 1    3    2   79 o   45.400   8.9282   15.145   5.7060   13.869   8.2666   16.306   7.8857   43.699   12.999   47.102   12.242 -3.402653 17.85636 
1 1 1    3    2   80 f  101.700   5.4898   71.688   7.5412   65.078   10.655   78.322   10.674   96.896   8.1148  106.503   7.3960 -9.606384 10.97956 
1 1 1    3    2   81 o   88.385   8.2752   54.345   9.9115   54.345   9.9115   0.0000   0.0000   88.385   8.2752  ?   ?       ?      ? 
1 1 1    3    2   82 o  115.772   7.3703   92.963   11.563   92.963   11.563   0.0000   0.0000  115.772   7.3703  ?   ?       ?      ? 
1 1 1    3    2   83 o   68.729   7.2298   34.169   6.4346   26.326   8.9415   42.594   9.2670   59.612   11.485   77.846   8.7846 -18.23381 14.45965 
1 1 1    3    2   84 o  100.686   5.5658   70.993   7.5473   61.221   10.511   81.396   10.844   93.344   8.3091  108.028   7.4076 -14.68346 11.13166 
1 1 1    3    2   85 o   83.124   6.0693   48.890   6.8222   45.318   9.6408   52.473   9.6554   79.951   8.8982   86.297   8.2564 -6.345680 12.13868 
1 1 1    3    2   86 o   39.574   8.8599   11.487   6.4656  -3.6734   11.150   19.168   7.9361   29.043   13.156   50.105   11.870 -21.06238 17.71971 
1 1 1    3    2   87 o   43.327   9.0080   14.450   5.6780   16.612   8.1001   12.361   7.9614   46.273   12.585   40.381   12.892 5.891968 18.01602 
1 1 1    3    2   88 o   33.714   9.4702   6.2014   6.4073   7.7427   7.9787   3.4024   10.752   34.411   12.802   33.017   13.958 1.393612 18.94050 
1 1 1    3    2   89 o   77.666   9.4522   43.642   9.9482   0.0000   0.0000   43.642   9.9482  ?   ?    77.666   9.4522      ?      ? 
1 1 1    3    2   90 o   37.452   9.9429   9.3306   6.6272   11.806   11.010   7.9242   8.2989   40.284   15.029   34.621   13.022 5.662434 19.88570 
1 1 1    3    2   91 o   60.341   9.4753   32.388   7.6701   17.728   12.917   40.373   9.5327   46.288   16.423   74.395   9.4557 -28.10702 18.95063 
1 1 1    3    2   92 o   55.977   9.3712   29.278   7.7476   10.104   13.538   38.616   9.4477   39.501   16.084   72.452   9.6226 -32.95131 18.74243 
1 1 1    3    2   93 o   84.997   13.374   57.783   15.405   57.783   15.405   0.0000   0.0000   84.997   13.374  ?   ?       ?      ? 
1 1 1    3    2   94 o   44.655   16.383   17.565   12.984   17.565   12.984   0.0000   0.0000   44.655   16.383  ?   ?       ?      ? 
1 1 1    3    2   95 o   37.515   15.338   10.098   12.375   10.098   12.375   0.0000   0.0000   37.515   15.338  ?   ?       ?      ? 
1 1 1    3    2   96 o   50.392   16.642   25.060   13.205   25.060   13.205   0.0000   0.0000   50.392   16.642  ?   ?       ?      ? 
1 1 1    3    3    0 o  284.255   5.3419  548.186   19.482  545.993   33.423  549.314   23.976  283.809   8.6904  284.700   6.2144 -0.8911133 10.68375 
1 1 1    3    3    1 o  465.861   7.2156  1463.58   42.907  1494.41   74.833  1448.48   52.370  469.452   11.763  462.270   8.3599 7.181732 14.43110 
1 1 1    3    3    2 f  586.566   8.6161  2314.08   64.288  2388.31  113.174  2278.72   78.114  593.372   14.075  579.760   9.9426 13.61261 17.23219 
1 1 1    3    3    3 o  531.636   7.9807  1912.96   54.228  1926.96   94.018  1905.97   66.383  533.028   13.016  530.245   9.2385 2.783813 15.96135 
1 1 1    3    3    4 o  384.811   6.3671  1011.13   31.474  980.610   53.489  1027.29   38.926  380.308   10.379  389.315   7.3783 -9.007172 12.73419 
1 1 1    3    3    5 o  443.111   6.6297  1337.67   34.447  1344.28   39.810  1317.96   68.718  445.361   6.5963  440.862   11.502 4.498901 13.25948 
1 1 1    3    3    6 o  676.470   11.242  3103.03  103.061   0.0000   0.0000  3103.03  103.061  ?   ?   676.470   11.242      ?      ? 
1 1 1    3    3    7 f  915.583   14.733  5687.79  182.797   0.0000   0.0000  5687.79  182.797  ?   ?   915.583   14.733      ?      ? 
1 1 1    3    3    8 o  479.049   6.0521  1555.69   39.288  1558.55   55.563  1552.84   55.561  479.489   8.5512  478.609   8.5666 0.8802185 12.10411 
1 1 1    3    3    9 o  775.500   8.9507  4079.35   94.062  4057.62  132.544  4101.38  133.508  773.421   12.646  777.578   12.670 -4.157471 17.90139 
1 1 1    3    3   11 o  683.250   8.0251  3166.29   74.304  3155.24  104.828  3177.44  105.336  682.052   11.342  684.447   11.357 -2.394287 16.05025 
1 1 1    3    3   12 o  907.212   14.638  5586.82  179.960   0.0000   0.0000  5586.82  179.960  ?   ?   907.212   14.638      ?      ? 
1 1 1    3    3   13 o  725.213   10.357  3579.38   96.099  3597.10  118.028  3544.53  165.525  728.126   11.962  722.299   16.911 5.827148 20.71373 
1 1 1    3    3   14 o  511.745   7.7840  1762.04   50.621  1735.17   61.453  1818.75   89.283  505.837   8.9650  517.654   12.728 -11.81680 15.56798 
1 1 1    3    3   15 f  566.666   9.7757  2178.18   75.069   0.0000   0.0000  2178.18   75.069  ?   ?   566.666   9.7757      ?      ? 
1 1 1    3    3   16 o  671.343   7.9290  3058.63   72.133  3042.33  101.592  3075.20  102.437  669.541   11.197  673.144   11.230 -3.603577 15.85798 
1 1 1    3    3   17 o  594.878   8.7826  2396.58   66.570  2384.34   81.219  2421.63  116.199  592.786   10.111  596.971   14.364 -4.184937 17.56530 
1 1 1    3    3   18 f  344.234   6.9420  804.047   32.383  810.295   45.876  797.843   45.716  345.568   9.7966  342.901   9.8382 2.667480 13.88394 
1 1 1    3    3   19 o  397.129   10.691  1070.51   57.534  1070.51   57.534   0.0000   0.0000  397.129   10.691  ?   ?       ?      ? 
1 1 1    3    3   21 o  391.123   7.5541  1037.45   40.039   0.0000   0.0000  1037.45   40.039  ?   ?   391.123   7.5541      ?      ? 
1 1 1    3    3   23 o  296.135   4.5725  594.516   18.349  591.665   25.811  597.429   26.089  295.418   6.4475  296.852   6.4854 -1.434479 9.144963 
1 1 1    3    3   24 o  456.971   7.2183  1409.96   42.060  1436.93   73.469  1396.81   51.298  460.106   11.783  453.837   8.3410 6.269043 14.43659 
1 1 1    3    3   25 o  599.114   8.8457  2393.88   66.985  2553.58  120.268  2322.06   80.653  613.164   14.474  585.063   10.173 28.10132 17.69131 
1 1 1    3    3   26 o  635.554   9.2893  2742.15   75.490  2740.60  130.497  2742.93   92.547  635.232   15.160  635.877   10.740 -0.6442871 18.57854 
1 1 1    3    3   27 o  667.949   9.6866  3034.80   82.844  3008.70  142.529  3048.12  101.808  665.580   15.802  670.319   11.208 -4.738892 19.37328 
1 1 1    3    3   30 o  639.939   10.855  2777.55   94.136  2777.55   94.136   0.0000   0.0000  639.939   10.855  ?   ?       ?      ? 
1 1 1    3    3   31 o  409.665   5.5325  1137.72   30.713  1142.33   43.426  1133.10   43.445  410.496   7.8064  408.833   7.8417 1.663300 11.06494 
1 1 1    3    3   32 o  1050.88   16.770  7500.56  238.821  7500.56  238.821   0.0000   0.0000  1050.88   16.770  ?   ?       ?      ? 
1 1 1    3    3   33 o  895.038   12.516  5361.54  141.401  5225.28  170.231  5664.77  253.949  877.390   14.317  912.687   20.533 -35.29736 25.03141 
1 1 1    3    3   34 o  539.450   8.2231  1974.46   56.595  1975.03   69.227  1973.31   98.274  539.679   9.4659  539.221   13.449 0.4573975 16.44622 
1 1 1    3    3   35 o  222.488   4.2710  334.397   12.852  307.530   17.649  364.724   18.751  213.005   6.1143  231.970   5.9650 -18.96516 8.542013 
1 1 1    3    3   36 o  259.767   5.4635  459.927   18.124  464.873   22.250  450.172   31.247  261.881   6.2697  257.653   8.9492 4.227783 10.92690 
1 1 1    3    3   37 o  492.927   8.9120  1647.77   59.531  1647.77   59.531   0.0000   0.0000  492.927   8.9120  ?   ?       ?      ? 
1 1 1    3    3   38 o  621.497   10.595  2620.63   89.236  2620.63   89.236   0.0000   0.0000  621.497   10.595  ?   ?       ?      ? 
1 1 1    3    3   39 o  763.073   8.8965  3952.89   91.991  3912.94  129.226  3993.93  130.981  759.168   12.561  766.979   12.602 -7.810669 17.79308 
1 1 1    3    3   40 o  531.194   6.6722  1912.41   48.006  1852.74   66.673  1976.66   69.177  522.598   9.4146  539.789   9.4571 -17.19122 13.34431 
1 1 1    3    3   41 o  405.005   5.5728  1112.09   30.581  1089.07   42.855  1135.98   43.653  400.736   7.8916  409.275   7.8708 -8.539764 11.14567 
1 1 1    3    3   42 o  605.982   9.0619  2507.97   70.395  2452.79  120.383  2536.64   86.778  600.631   14.790  611.333   10.475 -10.70245 18.12382 
1 1 1    3    3   43 o  574.479   7.0793  2239.04   55.099  2191.92   76.933  2288.66   78.950  568.279   9.9901  580.680   10.033 -12.40100 14.15851 
1 1 1    3    3   44 o  428.067   7.0598  1247.88   38.742  1231.73   66.412  1256.22   47.699  425.827   11.509  430.308   8.1799 -4.480438 14.11958 
1 1 1    3    3   45 o  546.651   9.6687  2032.24   71.613  2004.62  100.182  2061.09  102.407  542.864   13.618  550.439   13.729 -7.575378 19.33742 
1 1 1    3    3   46 o  260.126   9.2916  459.406   32.753   0.0000   0.0000  459.406   32.753  ?   ?   260.126   9.2916      ?      ? 
1 1 1    3    3   47 o  468.340   6.1402  1488.21   38.958  1534.56   55.858  1444.31   54.362  475.439   8.6699  461.242   8.6972 14.19647 12.28040 
1 1 1    3    3   48 o  482.692   8.8718  1582.22   58.031  1582.22   58.031   0.0000   0.0000  482.692   8.8718  ?   ?       ?      ? 
1 1 1    3    3   49 o  408.007   5.6422  1129.84   31.191  1109.34   43.648  1151.23   44.588  404.227   7.9682  411.787   7.9903 -7.559692 11.28433 
1 1 1    3    3   50 o  370.534   6.5996  936.847   31.175  944.437   38.184  921.674   53.988  372.983   7.5545  368.085   10.823 4.897919 13.19914 
1 1 1    3    3   51 o  357.321   6.4856  868.774   29.488  870.656   35.998  864.936   51.412  358.101   7.4180  356.541   10.641 1.560364 12.97120 
1 1 1    3    3   52 o  447.905   8.4491  1363.19   51.284  1363.19   51.284   0.0000   0.0000  447.905   8.4491  ?   ?       ?      ? 
1 1 1    3    3   53 o  307.513   5.9234  622.552   23.121  588.185   27.804  699.591   41.629  294.328   6.9710  320.699   9.5788 -26.37161 11.84688 
1 1 1    3    3   54 o  311.412   4.9615  658.021   20.929  634.391   29.143  683.186   30.075  305.641   7.0363  317.182   6.9969 -11.54074 9.923017 
1 1 1    3    3   55 o  577.057   7.1844  2267.60   56.181  2261.45   79.314  2273.81   79.591  576.272   10.156  577.843   10.164 -1.570496 14.36885 
1 1 1    3    3   56 o  162.145   4.4830  178.498   9.8482  179.157   14.091  177.869   13.769  162.434   6.4016  161.856   6.2777 0.5782471 8.966037 
1 1 1    3    3   57 o  317.373   5.0353  684.325   21.655  675.010   30.454  693.852   30.798  315.188   7.1301  319.559   7.1119 -4.370911 10.07068 
1 1 1    3    3   58 o  223.181   9.2129  339.177   27.864  339.177   27.864   0.0000   0.0000  223.181   9.2129  ?   ?       ?      ? 
1 1 1    3    3   59 o  165.681   4.5402  186.541   10.187  184.217   14.614  188.737   14.209  164.669   6.5489  166.693   6.2902 -2.024963 9.080437 
1 1 1    3    3   60 o  115.411   4.9834   89.851   7.7617  101.641   11.533   80.090   10.494  122.284   6.9596  108.539   7.1346 13.74419 9.966877 
1 1 1    3    3   61 o  288.229   5.9472  555.696   21.797  594.302   38.697  537.756   26.379  295.205   9.6733  281.253   6.9213 13.95215 11.89437 
1 1 1    3    3   62 o  273.550   6.8709  508.771   25.470  508.771   25.470   0.0000   0.0000  273.550   6.8709  ?   ?       ?      ? 
1 1 1    3    3   63 o  298.256   7.0689  605.049   28.571  605.049   28.571   0.0000   0.0000  298.256   7.0689  ?   ?       ?      ? 
1 1 1    3    3   64 o  260.465   4.8382  461.333   17.072  445.679   23.986  477.403   24.303  255.978   6.9148  264.953   6.7689 -8.975006 9.676326 
1 1 1    3    3   65 o  230.429   6.7435  361.148   21.057  361.148   21.057   0.0000   0.0000  230.429   6.7435  ?   ?       ?      ? 
1 1 1    3    3   66 o  324.428   6.4447  725.559   26.684  740.417   32.835  696.662   45.791  329.783   7.3473  319.074   10.590 10.70847 12.88935 
1 1 1    3    3   67 o  210.428   4.7037  301.302   13.412  296.915   19.000  305.658   18.934  208.893   6.7118  211.962   6.5918 -3.068970 9.407456 
1 1 1    3    3   68 o  237.341   5.7652  383.891   17.663  383.113   21.867  385.351   29.959  237.235   6.8019  237.448   9.3105 -0.2123413 11.53043 
1 1 1    3    3   69 o  176.662   4.8008  212.385   11.470  194.315   15.988  231.547   16.464  168.899   6.9853  184.425   6.5876 -15.52644 9.601637 
1 1 1    3    3   70 o  141.569   4.9382  136.628   9.4703  134.508   13.504  138.680   13.285  140.475   7.0938  142.664   6.8717 -2.188660 9.876307 
1 1 1    3    3   71 o  198.266   4.7733  267.355   12.806  288.398   18.563  248.247   17.689  205.710   6.6592  190.823   6.8406 14.88660 9.546661 
1 1 1    3    3   72 o  207.796   4.7610  294.488   13.406  298.415   19.062  290.645   18.858  209.168   6.7248  206.424   6.7414 2.744339 9.522060 
1 1 1    3    3   73 o   78.455   7.7791   40.357   7.6742   48.449   14.228   37.037   9.1135   83.482   12.577   73.429   9.1587 10.05289 15.55826 
1 1 1    3    3   74 o   99.538   8.1253   67.948   10.960   67.948   10.960   0.0000   0.0000   99.538   8.1253  ?   ?       ?      ? 
1 1 1    3    3   75 o  134.544   6.1963  124.226   10.494  125.598   18.717  123.596   12.674  134.697   10.254  134.391   6.9592 0.3063507 12.39269 
1 1 1    3    3   76 o   65.512   7.3351   29.521   6.4722   32.354   9.8388   27.360   8.5933   68.214   10.644   62.809   10.096 5.404655 14.67018 
1 1 1    3    3   77 o   75.373   6.3617   39.021   6.4356   47.225   9.5107   32.092   8.7407   82.715   8.4849   68.031   9.4811 14.68436 12.72334 
1 1 1    3    3   78 o   94.129   5.5894   61.130   7.1191   61.117   10.351   61.141   9.8068   94.073   8.1196   94.184   7.6836 -0.1115646 11.17884 
1 1 1    3    3   79 o   64.758   7.5610   30.014   6.2844   40.994   9.2190   20.481   8.5894   76.802   8.8578   52.715   12.256 24.08728 15.12206 
1 1 1    3    3   80 o   96.147   6.9377   62.497   8.5566   57.924   10.375   72.222   15.130   91.290   8.3867  101.004   11.054 -9.713882 13.87533 
1 1 1    3    3   81 o  150.452   4.9167  156.474   10.012  147.241   14.108  165.843   14.212  145.901   7.1357  155.003   6.7659 -9.102219 9.833412 
1 1 1    3    3   82 o   71.108   8.6507   39.350   7.6189   46.048   9.7634   28.919   12.183   80.990   8.8958   61.226   14.839 19.76447 17.30138 
1 1 1    3    3   83 o   54.353   9.3346   22.957   6.7659   25.030   8.7627   19.896   10.647   57.989   11.557   50.718   14.662 7.271423 18.66916 
1 1 1    3    3   84 o   37.381   9.0274   9.1029   6.2333   15.706   8.0934  -0.5244   9.7724   45.403   12.672   29.359   12.861 16.04452 18.05488 
1 1 1    3    3   85 o   64.641   8.8741   30.703   7.1385   33.764   12.695   29.288   8.6326   65.431   14.678   63.850   9.9769 1.580700 17.74814 
1 1 1    3    3   86 o   45.281   9.7498   16.553   6.5171   11.290   11.906   18.804   7.7873   40.953   15.552   49.609   11.762 -8.655540 19.49951 
1 1 1    3    3   87 f   42.930   9.6423   14.949   6.6884   5.8648   12.107   18.939   8.0240   36.325   15.044   49.535   12.065 -13.21085 19.28454 
1 1 1    3    3   88 o   32.948   8.6127   4.7423   6.2960 -10.9545   10.589   13.327   7.8306   24.385   11.616   41.511   12.719 -17.12611 17.22538 
1 1 1    3    3   89 o   32.868   8.7009   4.4620   6.4636 -11.8337   10.899   13.303   8.0277   24.391   11.665   41.345   12.913 -16.95429 17.40176 
1 1 1    3    3   90 o  101.311   7.5345   80.387   9.4356   61.857   15.723   90.817   11.796   89.570   12.953  113.051   7.6996 -23.48115 15.06894 
1 1 1    3    3   91 o   73.954   9.7375   47.953   8.7244   31.333   14.707   56.976   10.837   59.336   17.256   88.572   9.0289 -29.23624 19.47502 
1 1 1    3    3   92 o   70.951   10.927   42.572   10.519   30.972   14.529   55.352   15.251   58.483   17.192   83.419   13.491 -24.93654 21.85318 
1 1 1    3    3   93 o   76.724   10.505   50.026   10.601   32.801   14.677   68.813   15.328   59.537   17.216   93.911   12.044 -34.37436 21.01033 
1 1 1    3    3   94 o   37.982   15.486   10.160   12.571   10.160   12.571   0.0000   0.0000   37.982   15.486  ?   ?       ?      ? 
1 1 1    3    3   95 o   26.146   12.389  -7.8965   11.729  -7.8965   11.729   0.0000   0.0000   26.146   12.389  ?   ?       ?      ? 
1 1 1    3    3   96 o   47.823   16.791   23.023   13.471   23.023   13.471   0.0000   0.0000   47.823   16.791  ?   ?       ?      ? 
1 1 1    3    3   97 o   43.117   16.475   18.951   13.414   18.951   13.414   0.0000   0.0000   43.117   16.475  ?   ?       ?      ? 
1 1 1    3    4    0 o  493.402   6.2043  1650.39   41.484  1652.48   58.673  1648.30   58.661  493.715   8.7695  493.090   8.7789 0.6250610 12.40858 
1 1 1    3    4    1 o  999.255   11.254  6777.16  152.392  6827.01  216.516  6728.21  214.528  1002.89   15.931  995.615   15.900 7.279602 22.50846 
1 1 1    3    4    2 o  879.315   10.017  5246.24  119.363  5221.10  168.248  5271.71  169.368  877.195   14.154  881.435   14.179 -4.239685 20.03455 
1 1 1    3    4    3 f  637.505   7.5799  2755.26   65.474  2803.99   93.531  2708.44   91.684  643.030   10.734  631.981   10.706 11.04883 15.15974 
1 1 1    3    4    4 o  624.995   7.4585  2646.89   63.144  2576.20   87.804  2722.61   90.875  616.361   10.512  633.630   10.583 -17.26904 14.91697 
1 1 1    3    4    5 o  765.424   8.8576  3972.57   91.853  3889.79  128.156  4060.01  131.716  757.231   12.489  773.617   12.564 -16.38586 17.71529 
1 1 1    3    4    6 f  826.949   10.986  4662.81  106.922  4683.77  123.793  4601.25  212.155  831.021   10.993  822.877   19.025 8.144409 21.97285 
1 1 1    3    4    7 o  615.318   8.4939  2478.07   59.667  2404.88   67.559  2737.57  127.214  595.584   8.3706  635.052   14.782 -39.46759 16.98776 
1 1 1    3    4    8 o  801.740   13.053  4361.87  141.811  4361.87  141.811   0.0000   0.0000  801.740   13.053  ?   ?       ?      ? 
1 1 1    3    4    9 o  890.882   20.298  5398.74  245.057   0.0000   0.0000  5398.74  245.057  ?   ?   890.882   20.298      ?      ? 
1 1 1    3    4   10 o  509.118   9.0067  1757.73   62.140   0.0000   0.0000  1757.73   62.140  ?   ?   509.118   9.0067      ?      ? 
1 1 1    3    4   11 o  266.238   4.3379  480.275   15.645  498.621   22.358  462.673   21.900  271.219   6.0833  261.257   6.1857 9.961456 8.675795 
1 1 1    3    4   12 o  717.364   8.3961  3492.03   81.610  3441.41  114.343  3544.58  116.517  712.068   11.850  722.659   11.898 -10.59009 16.79213 
1 1 1    3    4   13 o  727.150   12.027  3589.23  118.388  3441.32  162.983  3754.44  172.255  711.338   16.908  742.962   17.109 -31.62384 24.05375 
1 1 1    3    4   14 o  455.430   7.1593  1368.31   41.093  1512.95   74.767  1305.71   49.188  472.087   11.687  438.773   8.2724 33.31470 14.31858 
1 1 1    3    4   15 o  443.108   5.7628  1331.67   34.604  1328.87   48.803  1334.49   49.072  442.641   8.1360  443.576   8.1637 -0.9343872 11.52560 
1 1 1    3    4   16 o  428.672   6.8990  1230.11   37.477  1200.66   45.288  1294.10   66.753  420.748   7.9429  436.597   11.283 -15.84933 13.79802 
1 1 1    3    4   17 o  516.046   7.9066  1817.36   52.232  1837.10   64.284  1779.01   89.602  520.362   9.1163  511.730   12.921 8.631836 15.81317 
1 1 1    3    4   18 o  495.127   6.2416  1663.10   41.879  1670.21   59.269  1656.01   59.182  496.184   8.8146  494.069   8.8393 2.115417 12.48318 
1 1 1    3    4   19 o  291.888   4.5508  577.545   17.999  570.631   25.236  584.704   25.679  290.110   6.4190  293.665   6.4526 -3.554688 9.101641 
1 1 1    3    4   21 o  555.858   9.6535  2096.20   72.716  2096.20   72.716   0.0000   0.0000  555.858   9.6535  ?   ?       ?      ? 
1 1 1    3    4   22 o  284.497   6.4252  548.702   24.771   0.0000   0.0000  548.702   24.771  ?   ?   284.497   6.4252      ?      ? 
1 1 1    3    4   23 o  846.321   11.902  4840.12  128.186  4952.69  224.972  4786.00  155.984  853.103   19.460  839.540   13.711 13.56317 23.80490 
1 1 1    3    4   24 o  1085.83   17.249  8013.47  253.814   0.0000   0.0000  8013.47  253.814  ?   ?   1085.83   17.249      ?      ? 
1 1 1    3    4   25 o  1076.77   12.096  7877.52  176.502  7822.48  248.333  7933.71  250.909  1072.98   17.079  1080.57   17.135 -7.591431 24.19284 
1 1 1    3    4   27 o  632.349   7.6020  2711.18   65.132  2664.17   91.078  2760.39   93.178  626.741   10.724  637.956   10.778 -11.21442 15.20409 
1 1 1    3    4   28 o  1084.72   17.310  7992.58  254.449   0.0000   0.0000  7992.58  254.449  ?   ?   1084.72   17.310      ?      ? 
1 1 1    3    4   30 o  503.570   7.7852  1692.18   49.545  1645.26   59.672  1796.31   88.893  492.601   8.9391  514.539   12.749 -21.93832 15.57045 
1 1 1    3    4   31 o  742.194   10.616  3685.51   99.513  3594.18  119.871  3888.00  178.493  727.862   12.153  756.526   17.411 -28.66406 21.23265 
1 1 1    3    4   32 o  757.889   8.8266  3897.17   90.652  3921.93  128.590  3872.70  127.816  760.282   12.481  755.495   12.484 4.786682 17.65323 
1 1 1    3    4   33 o  658.906   7.8527  2944.50   70.110  2906.97   98.275  2983.40  100.049  654.633   11.078  663.179   11.133 -8.546448 15.70540 
1 1 1    3    4   34 o  321.818   4.8784  702.109   21.274  709.732   30.040  694.440   30.132  323.572   6.8508  320.065   6.9471 3.506805 9.756818 
1 1 1    3    4   35 o  376.385   5.2934  960.450   26.998  972.388   38.237  948.582   38.125  378.719   7.4505  374.052   7.5213 4.666687 10.58677 
1 1 1    3    4   36 o  478.970   7.5697  1568.15   46.475  1593.39   57.354  1519.89   79.311  484.729   8.7314  473.212   12.368 11.51639 15.13934 
1 1 1    3    4   37 o  599.947   10.327  2441.96   83.959  2441.96   83.959   0.0000   0.0000  599.947   10.327  ?   ?       ?      ? 
1 1 1    3    4   38 o  624.000   10.645  2642.19   90.018  2642.19   90.018   0.0000   0.0000  624.000   10.645  ?   ?       ?      ? 
1 1 1    3    4   39 o  898.324   14.562  5483.90  177.270  5483.90  177.270   0.0000   0.0000  898.324   14.562  ?   ?       ?      ? 
1 1 1    3    4   40 o  647.500   7.7826  2845.52   68.286  2878.38   97.119  2813.39   96.031  651.197   11.005  643.803   11.007 7.394775 15.56529 
1 1 1    3    4   41 o  343.280   7.2112  799.118   33.546  799.118   33.546   0.0000   0.0000  343.280   7.2112  ?   ?       ?      ? 
1 1 1    3    4   43 o  512.985   9.2350  1785.98   64.199   0.0000   0.0000  1785.98   64.199  ?   ?   512.985   9.2350      ?      ? 
1 1 1    3    4   45 o  556.423   6.9308  2102.07   52.255  2138.81   74.545  2066.58   73.270  561.201   9.8020  551.644   9.8013 9.556396 13.86164 
1 1 1    3    4   46 f  496.141   6.4063  1669.79   43.051  1734.99   61.995  1609.07   59.828  505.487   9.0503  486.795   9.0694 18.69202 12.81258 
1 1 1    3    4   47 o  205.000   4.4152  285.003   12.262  295.323   17.474  274.991   17.210  208.658   6.1798  201.343   6.3076 7.315521 8.830431 
1 1 1    3    4   48 o  352.473   6.4435  849.489   29.025  860.872   35.686  827.240   49.889  356.141   7.3942  348.806   10.555 7.335022 12.88699 
1 1 1    3    4   49 o  272.590   6.6414  504.572   24.520  493.103   34.001  516.998   35.393  269.372   9.3145  275.808   9.4695 -6.435883 13.28276 
1 1 1    3    4   50 o  198.846   5.5216  270.424   13.977  274.200   17.121  262.879   24.200  201.021   6.2850  196.672   9.0803 4.349030 11.04321 
1 1 1    3    4   51 o  327.884   5.0748  729.385   22.536  764.950   32.318  695.724   31.441  335.665   7.1049  320.103   7.2481 15.56149 10.14960 
1 1 1    3    4   52 o  361.673   5.3163  887.335   26.037  935.603   37.516  842.484   36.164  371.157   7.4590  352.189   7.5773 18.96762 10.63263 
1 1 1    3    4   53 o  346.210   6.2884  786.285   27.448  740.652   32.791  893.111   50.171  330.219   7.3277  362.200   10.222 -31.98138 12.57690 
1 1 1    3    4   54 o  292.025   6.0844  601.410   22.812  659.864   28.912  504.992   37.132  311.716   6.8444  272.335   10.062 39.38062 12.16887 
1 1 1    3    4   55 o  480.270   6.3033  1569.23   41.023  1581.36   58.192  1557.25   57.840  482.117   8.9069  478.424   8.9214 3.692413 12.60655 
1 1 1    3    4   56 o  258.170   4.7012  452.691   16.447  450.238   23.166  455.184   23.355  257.466   6.6396  258.875   6.6575 -1.408813 9.402457 
1 1 1    3    4   57 o  124.123   4.7038  104.611   7.9029  111.678   11.310   97.868   11.048  128.225   6.5088  120.022   6.7924 8.202667 9.407514 
1 1 1    3    4   58 f  190.584   4.5612  246.006   11.762  264.510   17.154  229.586   16.159  197.331   6.4147  183.837   6.4862 13.49353 9.122496 
1 1 1    3    4   59 o  165.730   6.3857  186.599   14.341   0.0000   0.0000  186.599   14.341  ?   ?   165.730   6.3857      ?      ? 
1 1 1    3    4   60 o  298.832   4.9660  606.928   20.105  588.608   28.182  625.918   28.692  294.234   7.0679  303.429   6.9778 -9.195129 9.932044 
1 1 1    3    4   61 o  247.956   4.7159  417.822   15.844  425.917   22.605  410.004   22.214  250.317   6.6639  245.595   6.6745 4.721680 9.431726 
1 1 1    3    4   62 o  215.910   4.6410  316.674   13.573  329.453   19.465  304.579   18.937  220.150   6.5246  211.669   6.6020 8.481964 9.282082 
1 1 1    3    4   63 o  268.398   4.8512  489.657   17.639  505.480   25.274  474.628   24.631  272.627   6.8410  264.170   6.8803 8.456665 9.702466 
1 1 1    3    4   64 o  205.883   5.8584  288.096   15.328  286.686   18.659  291.023   26.880  205.312   6.7063  206.454   9.6078 -1.141968 11.71681 
1 1 1    3    4   65 o  152.308   4.8041  157.788   9.9140  161.756   14.111  153.919   13.932  154.202   6.7526  150.413   6.8352 3.788818 9.608227 
1 1 1    3    4   66 o  175.015   4.6807  208.320   11.099  211.948   15.867  204.843   15.532  176.506   6.6336  173.525   6.6052 2.980835 9.361304 
1 1 1    3    4   67 o  192.454   4.6955  252.053   12.245  252.147   17.438  251.961   17.197  192.484   6.6854  192.425   6.5951 0.5955505E-01 9.390962 
1 1 1    3    4   68 o  101.319   5.5065   69.585   7.5062   82.297   11.052   58.700   10.227  109.887   7.4217   92.751   8.1365 17.13631 11.01294 
1 1 1    3    4   69 o  128.639   6.1082  117.970   10.084  132.363   12.892   95.284   16.186  139.392   6.8251  117.886   10.132 21.50528 12.21630 
1 1 1    3    4   70 o  144.517   4.8743  142.393   9.5419  141.548   13.670  143.196   13.325  144.085   7.0010  144.949   6.7839 -0.8637543 9.748563 
1 1 1    3    4   71 o  132.695   5.0316  119.690   9.0282  130.823   13.220  109.959   12.359  138.465   7.0453  126.926   7.1856 11.53849 10.06326 
1 1 1    3    4   72 o  154.058   4.8136  162.085   10.043  158.843   14.372  165.180   14.039  152.527   6.9530  155.589   6.6586 -3.061981 9.627130 
1 1 1    3    4   73 o  148.003   6.2026  155.217   11.428  137.778   20.069  163.586   13.902  141.228   10.486  154.779   6.6280 -13.55081 12.40514 
1 1 1    3    4   74 o  109.860   7.3256   82.649   10.906   0.0000   0.0000   82.649   10.906  ?   ?   109.860   7.3256      ?      ? 
1 1 1    3    4   75 o  189.224   6.7734  245.083   17.369  245.083   17.369   0.0000   0.0000  189.224   6.7734  ?   ?       ?      ? 
1 1 1    3    4   76 o   99.571   5.5413   68.363   7.4590   64.248   10.682   72.278   10.420   96.577   8.1622  102.566   7.4967 -5.989212 11.08255 
1 1 1    3    4   77 o  137.176   4.9618  129.367   9.2154  124.533   13.126  134.065   12.941  134.598   7.1964  139.753   6.8331 -5.154572 9.923684 
1 1 1    3    4   78 o  100.462   7.0091   70.792   8.9266   71.373   10.894   69.604   15.572  101.639   7.9097   99.285   11.574 2.354660 14.01826 
1 1 1    3    4   79 f  113.512   6.5756   85.823   9.5125   78.498   11.433  102.298   17.147  106.465   7.9246  120.559   10.495 -14.09381 13.15122 
1 1 1    3    4   80 o  161.993   4.8827  181.112   10.717  185.136   15.245  177.181   15.069  163.788   6.8686  160.199   6.9414 3.588623 9.765324 
1 1 1    3    4   81 o   69.333   8.3275   34.941   7.4552   34.726   9.5778   35.271   11.875   70.047   10.090   68.618   13.251 1.428650 16.65502 
1 1 1    3    4   82 o   51.128   9.7154   20.944   6.8038   15.271   12.076   23.582   8.2353   45.788   15.908   56.467   11.158 -10.67854 19.43075 
1 1 1    3    4   83 o   83.735   7.0842   48.972   7.8370   45.392   9.8908   55.011   12.846   80.083   9.1139   87.387   10.848 -7.303368 14.16839 
1 1 1    3    4   84 o   66.704   7.0269   31.957   6.3293   29.087   8.9651   34.810   8.9370   63.533   10.413   69.876   9.4381 -6.342602 14.05372 
1 1 1    3    4   85 o   60.006   7.5786   26.400   6.0273   28.872   8.8118   24.226   8.2625   63.198   10.289   56.814   11.130 6.383575 15.15720 
1 1 1    3    4   86 o   52.186   9.5218   17.804   6.7311   35.029   12.170   10.213   8.0792   66.769   13.903   37.603   13.014 29.16606 19.04364 
1 1 1    3    4   87 o   76.465   9.4156   42.132   9.7564   0.0000   0.0000   42.132   9.7564  ?   ?    76.465   9.4156      ?      ? 
1 1 1    3    4   88 o   26.840   8.6119  -2.9227   6.3869  -1.7293   11.096  -3.5140   7.8104   29.787   13.339   23.893   10.896 5.893629 17.22381 
1 1 1    3    4   89 f   72.367   8.3317   36.963   7.7200   52.955   13.135   28.523   9.5420   84.048   11.533   60.686   12.028 23.36177 16.66347 
1 1 1    3    4   90 o   46.513   11.276   17.729   8.9236   23.576   12.295   11.219   12.972   52.571   15.902   40.455   15.990 12.11582 22.55147 
1 1 1    3    4   91 o   45.594   11.276   16.394   9.1421   25.605   13.117   7.6924   12.749   53.959   16.448   37.229   15.430 16.73063 22.55264 
1 1 1    3    4   92 o   65.548   10.833   37.243   10.083   51.800   14.353   23.054   14.170   80.753   13.116   50.344   17.245 30.40948 21.66613 
1 1 1    3    4   93 o   43.741   10.861   14.248   9.0959   1.2948   12.719   27.806   13.013   32.273   14.379   55.208   16.282 -22.93525 21.72219 
1 1 1    3    4   94 o   33.185   10.224   3.3091   8.8151  -2.0479   12.455   8.6852   12.478   29.832   13.663   36.538   15.214 -6.705658 20.44859 
1 1 1    3    4   95 o   43.980   16.430   18.334   13.167   18.334   13.167   0.0000   0.0000   43.980   16.430  ?   ?       ?      ? 
1 1 1    3    4   96 o   45.051   16.525   20.499   13.210   20.499   13.210   0.0000   0.0000   45.051   16.525  ?   ?       ?      ? 
1 1 1    3    4   97 o   32.375   14.286   5.3341   12.260   5.3341   12.260   0.0000   0.0000   32.375   14.286  ?   ?       ?      ? 
1 1 1    3    5    0 o  730.043   12.057  3622.01  119.281  3608.01  168.561  3636.05  168.816  728.628   17.071  731.458   17.031 -2.830688 24.11409 
1 1 1    3    5    1 o  544.079   8.1914  2012.90   57.077  2021.91   70.160  1995.27   98.152  546.010   9.4821  542.148   13.360 3.861023 16.38274 
1 1 1    3    5    2 f  312.105   5.6919  657.302   22.698  651.054   27.738  669.968   39.491  309.906   6.6049  314.305   9.2719 -4.398315 11.38386 
1 1 1    3    5    3 o  561.391   6.8636  2137.58   52.215  2128.43   73.583  2146.86   74.105  560.182   9.6932  562.600   9.7199 -2.418091 13.72715 
1 1 1    3    5    4 o  315.147   4.7011  673.262   20.076  670.570   28.267  676.002   28.519  314.512   6.6323  315.783   6.6645 -1.270630 9.402281 
1 1 1    3    5    5 o  488.017   6.1742  1615.15   40.832  1614.01   57.665  1616.29   57.825  487.845   8.7227  488.189   8.7407 -0.3441772 12.34846 
1 1 1    3    5    6 o  466.078   5.9851  1472.65   37.795  1444.43   52.851  1502.18   54.070  461.511   8.4507  470.646   8.4777 -9.134796 11.97018 
1 1 1    3    5    7 o  181.294   4.4968  219.577   9.4765  216.596   10.856  229.123   19.424  178.769   4.4813  183.818   7.7977 -5.049301 8.993683 
1 1 1    3    5    8 o  353.520   6.1949  855.673   28.016  872.602   34.535  823.093   47.911  358.744   7.1039  348.296   10.151 10.44830 12.38971 
1 1 1    3    5    9 o  497.462   8.8892  1680.20   59.919  1707.23   85.335  1653.91   84.155  501.409   12.559  493.514   12.583 7.895172 17.77832 
1 1 1    3    5   10 o  310.904   5.6978  636.901   22.358  606.650   26.786  706.395   40.598  299.126   6.6079  322.682   9.2842 -23.55585 11.39564 
1 1 1    3    5   11 o  499.382   6.2836  1691.56   42.521  1673.16   59.743  1710.45   60.531  496.631   8.8771  502.134   8.8956 -5.502258 12.56723 
1 1 1    3    5   12 o  699.890   10.085  3306.63   89.649  3264.67  108.851  3395.12  158.061  693.410   11.584  706.369   16.512 -12.95923 20.17053 
1 1 1    3    5   13 o  462.215   7.3036  1448.33   43.025  1445.08   52.542  1454.96   74.958  461.559   8.4003  462.870   11.950 -1.310944 14.60727 
1 1 1    3    5   14 o  579.085   8.6690  2298.54   64.444  2345.06   79.747  2210.99  109.407  587.837   10.011  570.334   14.156 17.50299 17.33790 
1 1 1    3    5   15 o  266.597   6.1931  481.862   22.374  481.862   22.374   0.0000   0.0000  266.597   6.1931  ?   ?       ?      ? 
1 1 1    3    5   16 o  213.692   4.0874  309.505   11.835  304.460   16.610  314.709   16.867  211.923   5.7838  215.461   5.7770 -3.537537 8.174723 
1 1 1    3    5   17 o  550.852   9.6117  2058.75   71.749   0.0000   0.0000  2058.75   71.749  ?   ?   550.852   9.6117      ?      ? 
1 1 1    3    5   18 o  831.044   9.5799  4690.03  107.872  4622.23  151.036  4760.62  154.118  824.920   13.511  837.167   13.585 -12.24677 19.15982 
1 1 1    3    5   19 o  462.383   5.9707  1449.92   37.411  1446.44   52.733  1453.44   53.084  461.826   8.4260  462.940   8.4616 -1.114044 11.94134 
1 1 1    3    5   20 o  253.848   5.3461  440.879   17.408  424.427   29.613  449.566   21.518  250.168   8.7352  257.528   6.1659 -7.359650 10.69212 
1 1 1    3    5   21 o  911.153   12.805  5730.58  151.052  5343.61  249.638  5954.09  189.725  886.010   20.792  936.294   14.953 -50.28412 25.61028 
1 1 1    3    5   22 o  894.148   12.534  5451.98  143.672  5378.09  246.199  5490.13  176.922  889.083   20.434  899.213   14.519 -10.12994 25.06715 
1 1 1    3    5   23 o  451.330   7.1786  1367.75   41.259  1421.48   72.593  1342.11   50.146  457.742   11.703  444.918   8.3171 12.82364 14.35723 
1 1 1    3    5   26 o  719.075   11.949  3507.72  116.438  3507.72  116.438   0.0000   0.0000  719.075   11.949  ?   ?       ?      ? 
1 1 1    3    5   27 o  490.237   7.6746  1630.73   48.010  1632.15   58.745  1627.90   83.314  490.638   8.8354  489.836   12.551 0.8025513 15.34920 
1 1 1    3    5   28 o  872.787   20.031  5178.86  236.921   0.0000   0.0000  5178.86  236.921  ?   ?   872.787   20.031      ?      ? 
1 1 1    3    5   30 o  639.210   7.6820  2771.17   66.540  2798.93   94.550  2743.92   93.661  642.382   10.861  636.038   10.867 6.344238 15.36399 
1 1 1    3    5   32 o  369.463   7.4406  925.399   37.253   0.0000   0.0000  925.399   37.253  ?   ?   369.463   7.4406      ?      ? 
1 1 1    3    5   33 o  472.577   6.1176  1514.23   39.175  1501.62   55.006  1527.20   55.806  470.583   8.6256  474.572   8.6776 -3.989319 12.23528 
1 1 1    3    5   34 o  336.253   5.0048  766.105   22.799  748.710   31.781  784.548   32.725  332.323   7.0570  340.183   7.0988 -7.859589 10.00970 
1 1 1    3    5   35 o  305.709   6.7706  633.585   28.049  633.585   28.049   0.0000   0.0000  305.709   6.7706  ?   ?       ?      ? 
1 1 1    3    5   36 o  378.273   6.4941  953.754   31.162  924.289   37.634  1018.02   55.578  369.208   7.5218  387.338   10.588 -18.13049 12.98812 
1 1 1    3    5   37 o  522.845   6.6039  1854.40   46.789  1848.31   65.901  1860.58   66.442  521.982   9.3166  523.708   9.3620 -1.726746 13.20781 
1 1 1    3    5   38 o  400.219   5.5305  1085.97   29.990  1110.99   42.771  1061.77   42.063  404.754   7.7978  395.684   7.8446 9.069733 11.06095 
1 1 1    3    5   39 o  250.454   4.5354  425.272   15.393  422.387   21.689  428.199   21.850  249.598   6.4123  251.309   6.4158 -1.711395 9.070882 
1 1 1    3    5   40 o  430.876   7.1421  1279.28   39.715  1195.11   66.140  1326.74   49.665  419.503   11.634  442.249   8.2870 -22.74606 14.28410 
1 1 1    3    5   41 o  163.720   4.3181  181.508   9.5716  171.102   13.296  192.702   13.790  158.854   6.1764  168.586   6.0362 -9.731842 8.636192 
1 1 1    3    5   42 o  365.625   6.4913  913.662   30.432  887.525   51.929  927.333   37.558  361.510   10.600  369.739   7.4958 -8.228119 12.98262 
1 1 1    3    5   43 o  399.444   11.121  1084.08   60.196  1084.08   60.196   0.0000   0.0000  399.444   11.121  ?   ?       ?      ? 
1 1 1    3    5   44 o  385.102   5.4603  1003.03   28.449  940.129   38.974  1074.78   41.622  372.220   7.7266  397.985   7.7175 -25.76462 10.92063 
1 1 1    3    5   46 o  244.354   9.2814  405.595   30.734   0.0000   0.0000  405.595   30.734  ?   ?   244.354   9.2814      ?      ? 
1 1 1    3    5   47 o  310.648   4.9443  654.658   20.805  682.532   29.709  627.835   29.144  317.140   6.9129  304.156   7.0709 12.98370 9.888646 
1 1 1    3    5   48 o  299.759   4.8594  609.721   19.738  600.278   27.693  619.471   28.139  297.401   6.8714  302.118   6.8730 -4.716858 9.718749 
1 1 1    3    5   49 o  429.471   5.8392  1252.90   33.983  1247.28   47.844  1258.63   48.276  428.501   8.2394  430.441   8.2763 -1.940613 11.67844 
1 1 1    3    5   50 o  387.507   7.7839  1019.93   40.875  1019.93   40.875   0.0000   0.0000  387.507   7.7839  ?   ?       ?      ? 
1 1 1    3    5   51 o  233.099   4.5558  368.869   14.387  379.900   20.373  357.896   20.319  236.581   6.3546  229.617   6.5300 6.964859 9.111689 
1 1 1    3    5   52 o  364.097   7.5543  900.585   37.273  900.585   37.273   0.0000   0.0000  364.097   7.5543  ?   ?       ?      ? 
1 1 1    3    5   53 o  456.897   8.6555  1409.82   53.307  1265.57   71.222  1593.56   80.382  430.613   12.205  483.181   12.276 -52.56787 17.31104 
1 1 1    3    5   54 o  354.040   10.499  854.175   50.374  854.175   50.374   0.0000   0.0000  354.040   10.499  ?   ?       ?      ? 
1 1 1    3    5   55 o  247.246   6.5872  415.196   22.071  415.196   22.071   0.0000   0.0000  247.246   6.5872  ?   ?       ?      ? 
1 1 1    3    5   56 o  156.918   4.5754  167.170   9.7270  171.829   13.925  162.730   13.594  159.053   6.4604  154.783   6.4807 4.269241 9.150812 
1 1 1    3    5   57 o  288.874   9.7043  568.721   37.989  568.721   37.989   0.0000   0.0000  288.874   9.7043  ?   ?       ?      ? 
1 1 1    3    5   58 o  257.086   4.7351  448.928   16.491  466.292   23.581  432.310   23.069  261.955   6.6429  252.217   6.7496 9.737717 9.470233 
1 1 1    3    5   59 o  236.281   5.7454  378.044   17.298  385.746   30.254  374.303   21.085  237.881   9.3851  234.681   6.6300 3.199936 11.49074 
1 1 1    3    5   60 o  221.050   4.6741  331.508   13.985  354.658   20.235  310.342   19.349  228.432   6.5369  213.669   6.6825 14.76259 9.348148 
1 1 1    3    5   61 o  263.322   6.8043  471.468   24.280  471.468   24.280   0.0000   0.0000  263.322   6.8043  ?   ?       ?      ? 
1 1 1    3    5   62 o  138.867   5.9507  129.138   10.500  125.092   12.701  137.874   18.661  135.617   6.9108  142.117   9.6894 -6.500549 11.90146 
1 1 1    3    5   63 o  146.177   5.9538  140.435   11.089  131.236   13.360  160.810   19.883  138.880   7.0988  153.473   9.5602 -14.59299 11.90759 
1 1 1    3    5   64 o  207.320   4.6753  292.253   13.133  286.631   18.388  298.107   18.764  205.286   6.6099  209.354   6.6138 -4.068695 9.350588 
1 1 1    3    5   65 o  171.416   4.7061  199.889   10.925  209.396   15.555  190.633   15.349  175.450   6.5423  167.382   6.7667 8.067917 9.412246 
1 1 1    3    5   66 o  217.609   4.7228  322.235   13.926  316.007   19.608  328.573   19.781  215.482   6.7149  219.735   6.6429 -4.252884 9.445516 
1 1 1    3    5   67 o  202.153   4.7426  278.216   12.991  273.621   18.338  282.844   18.406  200.471   6.7503  203.835   6.6636 -3.363190 9.485213 
1 1 1    3    5   68 o  203.090   6.7517  280.935   18.582  280.935   18.582   0.0000   0.0000  203.090   6.7517  ?   ?       ?      ? 
1 1 1    3    5   69 o  101.241   6.7483   72.133   8.7944   77.077   11.080   63.712   14.459  106.258   7.6945   96.223   11.088 10.03522 13.49653 
1 1 1    3    5   70 o   99.258   7.0805   70.993   8.9295   79.597   11.302   56.699   14.567  107.934   7.7270   90.583   11.867 17.35011 14.16103 
1 1 1    3    5   71 o  330.185   5.3130  745.148   23.771  752.222   33.879  738.289   33.362  331.720   7.5367  328.651   7.4908 3.068848 10.62610 
1 1 1    3    5   72 o  210.759   5.9240  305.833   15.915  301.154   27.545  308.177   19.498  209.102   9.7208  212.416   6.7737 -3.314636 11.84808 
1 1 1    3    5   73 o  176.277   4.8558  212.779   11.575  196.910   16.370  228.643   16.368  169.634   7.1213  182.919   6.6031 -13.28459 9.711545 
1 1 1    3    5   74 o  102.380   7.2830   78.778   9.0882   56.284   15.355   90.906   11.275   89.586   12.648  115.174   7.2241 -25.58775 14.56602 
1 1 1    3    5   75 o   67.369   7.1297   31.440   6.4847   35.398   9.4096   27.859   8.9492   71.456   9.7173   63.282   10.436 8.174118 14.25931 
1 1 1    3    5   76 o  119.000   5.3967   98.187   8.6164  113.044   12.128   83.043   12.244  128.311   6.9748  109.689   8.2372 18.62148 10.79350 
1 1 1    3    5   77 o  140.838   7.1318  136.505   13.611  136.505   13.611   0.0000   0.0000  140.838   7.1318  ?   ?       ?      ? 
1 1 1    3    5   78 o  117.763   6.4360   95.983   9.8223   98.951   16.594   94.382   12.186  118.689   10.317  116.837   7.6969 1.852104 12.87204 
1 1 1    3    5   79 o   67.669   7.4613   32.917   6.5947   26.995   9.2484   39.042   9.4063   60.661   11.674   74.677   9.2950 -14.01615 14.92258 
1 1 1    3    5   80 f  155.695   4.9374  167.693   10.415  172.547   14.755  162.874   14.702  157.981   6.8919  153.408   7.0721 4.573090 9.874875 
1 1 1    3    5   81 o   84.251   6.1898   49.977   7.0147   57.365   10.001   42.824   9.8411   90.595   8.1465   77.908   9.3214 12.68687 12.37957 
1 1 1    3    5   82 o   71.770   6.7506   36.612   6.5558   37.553   9.1120   35.602   9.4393   72.833   9.2322   70.706   9.8514 2.126755 13.50119 
1 1 1    3    5   83 o  101.725   6.5650   69.547   8.6136   61.274   10.443   87.158   15.236   93.284   8.2607  110.167   10.206 -16.88258 13.12998 
1 1 1    3    5   84 o   39.816   10.566   10.304   7.8203   13.687   11.127   7.0005   10.993   43.088   15.248   36.544   14.630 6.544006 21.13131 
1 1 1    3    5   85 o   90.786   7.2356   57.456   8.4814   67.436   14.807   52.582   10.347   95.705   11.417   85.866   8.8923 9.838226 14.47119 
1 1 1    3    5   86 o   75.090   8.1055   39.732   7.8141   48.337   13.879   35.738   9.4549   79.960   12.809   70.221   9.9359 9.738953 16.21099 
1 1 1    3    5   87 o   69.143   9.4022   43.121   8.0545   20.861   13.479   55.484   10.045   50.089   16.822   88.197   8.4046 -38.10789 18.80437 
1 1 1    3    5   88 o   45.094   13.113   16.129   8.4935   0.0000   0.0000   16.129   8.4935  ?   ?    45.094   13.113      ?      ? 
1 1 1    3    5   89 o   46.905   11.518   18.139   8.8911   17.315   11.805   19.219   13.516   45.940   15.741   47.870   16.818 -1.930267 23.03517 
1 1 1    3    5   90 o   76.289   10.336   46.682   10.376   27.051   13.780   72.382   15.767   55.293   16.860   97.286   11.960 -41.99269 20.67126 
1 1 1    3    5   91 o   52.678   11.710   24.408   9.5084   18.293   13.024   31.387   13.914   46.117   16.477   59.238   16.643 -13.12136 23.42021 
1 1 1    3    5   92 o   30.323   9.5255  -1.9777   8.3862   6.9492   11.399 -12.5078   12.381   35.119   14.576   25.528   12.268 9.590330 19.05102 
1 1 1    3    5   93 o   56.440   11.530   29.640   9.7343   39.002   13.854   20.512   13.681   65.982   15.718   46.899   16.874 19.08321 23.06026 
1 1 1    3    5   94 o   25.254   8.5409 -10.4523   8.2700 -14.8872   11.393  -5.5137   12.023   23.042   11.235   27.466   12.867 -4.424025 17.08175 
1 1 1    3    5   95 o   26.112   12.391  -7.3344   11.817  -7.3344   11.817   0.0000   0.0000   26.112   12.391  ?   ?       ?      ? 
1 1 1    3    5   96 o   24.474   11.841 -11.3048   12.021 -11.3048   12.021   0.0000   0.0000   24.474   11.841  ?   ?       ?      ? 
1 1 1    3    6    0 o  391.607   5.3575  1040.01   28.431  1042.36   40.136  1037.64   40.279  392.052   7.5545  391.161   7.5987 0.8911438 10.71496 
1 1 1    3    6    1 o  326.421   4.8385  722.310   21.400  711.891   29.984  733.128   30.553  324.023   6.8286  328.819   6.8566 -4.796448 9.676959 
1 1 1    3    6    2 o  745.739   8.6985  3776.84   87.904  3798.75  124.645  3755.16  123.988  747.891   12.299  743.587   12.305 4.304565 17.39696 
1 1 1    3    6    3 o  696.071   10.071  3289.36   89.368  3281.78  109.176  3304.77  155.586  695.226   11.588  696.916   16.474 -1.690308 20.14174 
1 1 1    3    6    4 o  310.934   5.8294  660.696   23.249  640.317   39.623  671.395   28.711  307.194   9.5181  314.672   6.7329 -7.477966 11.65877 
1 1 1    3    6    5 o  487.207   6.2008  1610.24   40.939  1624.44   58.080  1596.21   57.714  489.343   8.7585  485.071   8.7799 4.272034 12.40157 
1 1 1    3    6    6 o  412.837   5.5376  1155.82   30.978  1145.14   43.540  1166.77   44.085  410.907   7.8191  414.767   7.8435 -3.860168 11.07513 
1 1 1    3    6    7 o  369.333   5.1765  925.040   25.908  926.634   36.587  923.436   36.692  369.653   7.3037  369.013   7.3375 0.6399231 10.35296 
1 1 1    3    6    8 o  517.561   7.4995  1810.33   45.331  1802.70   52.170  1833.82   91.585  515.578   7.4670  519.544   13.008 -3.965942 14.99900 
1 1 1    3    6    9 o  662.443   9.1025  2977.28   70.580  2973.55   81.380  2988.61  141.782  662.036   9.0709  662.849   15.784 -0.8120728 18.20507 
1 1 1    3    6   10 o  566.171   8.0472  2195.68   53.654  2215.93   62.216  2136.94  105.981  571.591   8.0322  560.750   13.947 10.84082 16.09449 
1 1 1    3    6   11 o  232.093   4.8951  363.926   13.232  362.669   15.209  367.839   26.834  231.314   4.8520  232.872   8.5034 -1.557480 9.790262 
1 1 1    3    6   12 o  541.244   8.2751  2017.69   57.652  2085.96   71.821  1893.99   96.674  554.484   9.5582  528.004   13.511 26.47937 16.55018 
1 1 1    3    6   14 o  652.360   7.7751  2887.23   68.724  2838.00   96.133  2938.69   98.282  646.676   10.970  658.043   11.021 -11.36743 15.55030 
1 1 1    3    6   15 o  535.881   13.301  1950.02   96.593  1950.02   96.593   0.0000   0.0000  535.881   13.301  ?   ?       ?      ? 
1 1 1    3    6   16 f  517.229   7.9805  1839.55   53.222  1734.62   89.047  1897.86   66.384  505.477   13.000  528.981   9.2606 -23.50418 15.96093 
1 1 1    3    6   17 o  369.255   6.3563  923.485   30.038  928.255   51.912  921.084   36.830  369.919   10.356  368.592   7.3735 1.326630 12.71259 
1 1 1    3    6   18 o  587.892   8.7537  2313.82   65.098  2259.49   78.548  2433.00  116.332  577.175   10.043  598.609   14.341 -21.43439 17.50744 
1 1 1    3    6   19 o  723.405   8.4987  3550.35   83.310  3518.21  117.114  3583.28  118.535  720.092   12.002  726.718   12.036 -6.625916 16.99747 
1 1 1    3    6   20 o  827.100   11.656  4615.04  122.580  4737.48  215.662  4556.61  148.987  834.807   19.064  819.393   13.418 15.41461 23.31205 
1 1 1    3    6   21 o  703.992   10.138  3327.09   90.548  3468.82  160.584  3261.03  109.641  714.649   16.582  693.334   11.669 21.31519 20.27622 
1 1 1    3    6   23 o  864.627   9.9173  5069.39  116.145  4930.91  161.254  5218.68  167.426  852.374   13.960  876.880   14.090 -24.50580 19.83460 
1 1 1    3    6   24 o  862.214   12.139  5021.95  133.184  4970.11  162.081  5129.74  233.697  855.758   13.977  868.670   19.853 -12.91162 24.27894 
1 1 1    3    6   25 o  566.661   8.5040  2133.32   60.701  2060.43   72.801  2299.60  109.952  551.225   9.7459  582.097   13.939 -30.87201 17.00808 
1 1 1    3    6   26 o  717.801   11.990  3495.37  116.629   0.0000   0.0000  3495.37  116.629  ?   ?   717.801   11.990      ?      ? 
1 1 1    3    6   27 o  314.079   6.7936  668.662   28.915  668.662   28.915   0.0000   0.0000  314.079   6.7936  ?   ?       ?      ? 
1 1 1    3    6   28 o  498.549   6.3520  1685.33   42.913  1685.44   60.497  1685.22   60.882  498.566   8.9543  498.532   9.0118 0.3341675E-01 12.70400 
1 1 1    3    6   29 o  397.640   7.7913  1071.97   41.984   0.0000   0.0000  1071.97   41.984  ?   ?   397.640   7.7913      ?      ? 
1 1 1    3    6   30 o  438.530   5.8329  1303.34   34.655  1276.63   48.382  1331.47   49.663  433.920   8.2279  443.140   8.2700 -9.220551 11.66584 
1 1 1    3    6   31 o  733.851   8.6155  3654.55   85.675  3635.04  120.564  3674.46  121.772  731.875   12.156  735.828   12.212 -3.952026 17.23100 
1 1 1    3    6   32 o  685.566   8.1708  3184.77   75.850  3073.11  104.757  3307.81  109.968  672.960   11.487  698.171   11.623 -25.21167 16.34165 
1 1 1    3    6   33 o  391.019   5.4581  1036.52   28.918  1024.94   40.503  1048.57   41.302  388.792   7.6875  393.246   7.7503 -4.454071 10.91628 
1 1 1    3    6   34 o  288.754   4.7290  565.322   18.503  569.718   26.056  560.851   26.280  289.888   6.6327  287.620   6.7425 2.267365 9.457972 
1 1 1    3    6   35 o  652.231   15.658  2892.07  138.392   0.0000   0.0000  2892.07  138.392  ?   ?   652.231   15.658      ?      ? 
1 1 1    3    6   36 o  688.245   10.015  3211.42   87.883  3197.28  107.320  3240.22  153.119  686.280   11.540  690.209   16.371 -3.929749 20.02907 
1 1 1    3    6   37 o  590.090   8.8407  2321.05   65.954  2486.42  118.470  2246.77   79.396  604.799   14.455  575.381   10.183 29.41724 17.68135 
1 1 1    3    6   38 o  442.129   11.771  1327.57   70.527  1327.57   70.527   0.0000   0.0000  442.129   11.771  ?   ?       ?      ? 
1 1 1    3    6   39 o  578.043   7.1334  2267.51   55.868  2233.56   78.098  2303.09   79.951  573.617   10.047  582.469   10.129 -8.851746 14.26679 
1 1 1    3    6   41 o  264.064   4.6500  471.504   16.613  438.505   22.833  508.625   24.217  254.274   6.6264  273.854   6.5255 -19.58040 9.300052 
1 1 1    3    6   42 o  334.223   6.2092  755.855   26.530  765.594   46.033  751.011   32.464  335.729   10.118  332.718   7.2002 3.010864 12.41841 
1 1 1    3    6   43 f  364.942   6.5175  891.475   30.102  869.129   36.325  940.453   53.780  357.886   7.4900  371.998   10.668 -14.11218 13.03505 
1 1 1    3    6   44 o   90.782   6.5835   55.218   7.4710   54.048   8.9300   57.948   13.639   89.243   7.3841   92.321   10.902 -3.078041 13.16695 
1 1 1    3    6   45 f  432.180   5.8483  1267.93   34.246  1248.55   47.927  1288.16   48.952  428.809   8.2476  435.552   8.2937 -6.743042 11.69657 
1 1 1    3    6   46 o  323.898   5.0165  712.068   22.018  719.919   31.149  704.228   31.126  325.686   7.0578  322.111   7.1308 3.574463 10.03300 
1 1 1    3    6   47 o  248.750   6.4664  419.896   21.798  419.896   21.798   0.0000   0.0000  248.750   6.4664  ?   ?       ?      ? 
1 1 1    3    6   48 o  432.274   8.3100  1269.54   48.679  1269.54   48.679   0.0000   0.0000  432.274   8.3100  ?   ?       ?      ? 
1 1 1    3    6   49 o  412.832   5.7201  1157.87   31.999  1151.12   44.993  1164.79   45.520  411.616   8.0662  414.047   8.1128 -2.430084 11.44029 
1 1 1    3    6   50 o  291.097   4.8688  575.363   19.205  574.802   27.031  575.935   27.292  290.956   6.8558  291.238   6.9151 -0.2812805 9.737571 
1 1 1    3    6   51 o  536.073   6.8196  1955.36   49.536  1994.53   70.594  1917.37   69.526  541.366   9.6226  530.781   9.6661 10.58521 13.63922 
1 1 1    3    6   52 o  362.647   7.5443  893.649   37.075  893.649   37.075   0.0000   0.0000  362.647   7.5443  ?   ?       ?      ? 
1 1 1    3    6   53 o  287.000   6.0425  579.063   22.270  628.478   28.120  495.922   36.474  304.178   6.8218  269.821   9.9754 34.35690 12.08490 
1 1 1    3    6   54 o  296.578   6.8905  599.179   27.693  595.999   39.081  602.387   39.247  295.787   9.7499  297.369   9.7393 -1.582520 13.78095 
1 1 1    3    6   55 o  149.357   5.6037  154.085   10.739  144.131   18.106  159.487   13.338  145.481   9.1840  153.232   6.4235 -7.750778 11.20745 
1 1 1    3    6   56 o  109.673   4.9530   81.813   7.3530   77.407   10.402   86.215   10.396  106.710   7.1931  112.636   6.8108 -5.926857 9.905942 
1 1 1    3    6   57 o  139.225   5.6221  128.323   10.087  143.278   17.583  120.986   12.316  145.030   8.9463  133.420   6.8116 11.61031 11.24430 
1 1 1    3    6   58 o  138.021   6.7031  130.131   12.514  136.814   17.502  123.140   17.899  141.687   9.1152  134.356   9.8306 7.330429 13.40628 
1 1 1    3    6   59 o  285.643   7.0500  555.701   27.258  592.871   39.535  522.023   37.632  294.743   9.8981  276.544   10.042 18.19989 14.10007 
1 1 1    3    6   60 o  230.744   6.7228  362.960   21.007  344.384   29.285  382.650   30.150  224.648   9.6196  236.839   9.3940 -12.19084 13.44557 
1 1 1    3    6   61 o  162.384   4.7531  179.314   10.459  178.933   14.760  179.699   14.823  162.211   6.7148  162.557   6.7290 -0.3454895 9.506254 
1 1 1    3    6   62 f  219.311   6.6805  327.118   19.854  327.118   19.854   0.0000   0.0000  219.311   6.6805  ?   ?       ?      ? 
1 1 1    3    6   63 o  200.174   4.6504  272.530   12.614  268.408   17.795  276.692   17.884  198.648   6.6104  201.699   6.5429 -3.050079 9.300847 
1 1 1    3    6   64 o  184.478   6.6313  231.538   16.578  231.538   16.578   0.0000   0.0000  184.478   6.6313  ?   ?       ?      ? 
1 1 1    3    6   65 o  234.737   4.7883  375.005   15.229  366.374   21.413  383.839   21.664  231.998   6.8110  237.476   6.7320 -5.477707 9.576507 
1 1 1    3    6   66 o  142.080   4.8904  137.434   9.4139  141.116   13.447  133.894   13.184  143.948   6.8934  140.212   6.9386 3.736694 9.780723 
1 1 1    3    6   67 o  144.187   4.9323  141.699   9.6351  139.363   13.696  143.988   13.558  142.999   7.0675  145.374   6.8820 -2.375122 9.864637 
1 1 1    3    6   68 o  101.825   5.5988   70.805   7.7248   71.798   11.021   69.846   10.830  102.525   7.9326  101.125   7.9032 1.400230 11.19765 
1 1 1    3    6   69 f  168.891   5.9227  201.233   12.858  217.192   16.228  174.316   21.075  178.466   6.7100  159.317   9.7617 19.14952 11.84547 
1 1 1    3    6   70 o  194.339   6.7169  259.541   17.640  234.464   24.637  285.917   25.267  184.605   9.8484  204.073   9.1366 -19.46788 13.43381 
1 1 1    3    6   71 o   50.519   9.0963   18.355   6.3012   22.372   9.1045   14.661   8.7300   55.669   12.388   45.370   13.323 10.29862 18.19254 
1 1 1    3    6   72 o  159.079   4.9215  172.742   10.587  189.275   15.325  157.650   14.643  166.379   6.7972  151.778   7.1193 14.60112 9.843026 
1 1 1    3    6   73 o   35.732   8.9675   6.8507   5.8751   0.7162   8.4173   12.678   8.2040   29.100   12.329   42.364   13.025 -13.26394 17.93506 
1 1 1    3    6   74 o   48.420   11.067   16.194   8.5691   10.035   12.183   22.225   12.055   41.987   15.780   54.853   15.521 -12.86583 22.13407 
1 1 1    3    6   75 o  183.468   6.9481  233.147   17.226  210.579   23.586  258.945   25.218  173.904   10.008  193.032   9.6404 -19.12732 13.89621 
1 1 1    3    6   76 o   89.645   6.0435   55.927   7.2292   44.217   10.065   68.406   10.390   79.720   9.3167   99.570   7.7001 -19.84952 12.08691 
1 1 1    3    6   77 o   30.473   8.6438   3.0407   5.5749  -0.2640   7.8128   6.4688   7.9573   27.024   11.672   33.922   12.753 -6.898224 17.28750 
1 1 1    3    6   78 o   94.646   5.7845   62.309   7.4111   65.296   10.451   59.287   10.511   96.995   7.9511   92.296   8.4037 4.698891 11.56901 
1 1 1    3    6   79 o  101.134   5.7110   71.102   7.7670   59.917   10.714   83.489   11.275   92.605   8.5378  109.663   7.5874 -17.05754 11.42203 
1 1 1    3    6   80 o   74.285   6.5605   38.908   6.6035   38.331   9.2581   39.505   9.4217   73.729   9.2662   74.842   9.2897 -1.113495 13.12101 
1 1 1    3    6   81 o  106.884   5.5713   79.888   8.0211   68.887   11.140   91.733   11.559   99.060   8.2983  114.707   7.4361 -15.64616 11.14264 
1 1 1    3    6   82 o  107.441   5.5905   80.704   8.0070   62.719   10.933  101.512   11.759   94.255   8.5595  120.627   7.1938 -26.37212 11.18104 
1 1 1    3    6   83 o   48.949   10.105   17.343   6.9324   25.257   11.792   13.162   8.5699   56.159   15.147   41.739   13.381 14.41948 20.21062 
1 1 1    3    6   84 o   60.085   10.602   29.335   8.6867   24.284   12.631   33.867   11.965   54.458   16.036   65.713   13.872 -11.25491 21.20355 
1 1 1    3    6   85 o   46.695   10.299   16.039   6.9606   22.671   11.984   12.662   8.5508   52.594   15.653   40.797   13.388 11.79696 20.59772 
1 1 1    3    6   86 o   49.923   9.8239   21.408   7.3871   10.565   12.468   27.273   9.1698   40.181   15.740   59.666   11.759 -19.48536 19.64780 
1 1 1    3    6   87 o   52.518   10.853   23.342   9.0299   33.057   12.103   11.144   13.562   63.962   14.320   41.074   16.313 22.88781 21.70648 
1 1 1    3    6   88 o   33.220   14.638   1.1076   12.825   0.0000   0.0000   1.1076   12.825  ?   ?    33.220   14.638      ?      ? 
1 1 1    3    6   89 o   37.788   10.896   8.3747   8.8257   6.2711   12.281   10.621   12.692   35.952   15.042   39.624   15.767 -3.672798 21.79169 
1 1 1    3    6   90 o   63.377   11.342   34.370   9.8743   25.820   13.179   45.312   14.909   53.852   16.501   72.902   15.565 -19.05077 22.68351 
1 1 1    3    6   91 o   41.128   11.184   12.332   9.0598   5.7495   12.335   20.044   13.351   34.966   14.874   47.290   16.705 -12.32461 22.36743 
1 1 1    3    6   92 o   29.438   9.4253  -5.5266   8.6483 -17.5361   12.065   7.1631   12.402   23.269   11.392   35.607   15.019 -12.33887 18.85059 
1 1 1    3    6   93 o   43.455   11.665   17.240   9.5244   20.073   13.556   14.479   13.385   45.872   16.753   41.038   16.235 4.834763 23.32918 
1 1 1    3    6   94 o   42.899   11.173   15.699   9.5269   3.5841   13.403   28.069   13.544   32.983   14.723   52.814   16.810 -19.83072 22.34606 
1 1 1    3    6   95 o   39.957   11.303   15.008   9.3202   17.600   13.238   12.460   13.124   41.996   16.283   37.917   15.680 4.078388 22.60550 
1 1 1    3    7    0 o  427.119   7.0108  1238.46   38.136  1239.66   46.575  1236.01   66.430  427.537   8.0389  426.702   11.488 0.8354187 14.02166 
1 1 1    3    7    1 o  326.213   5.9754  708.035   24.603  685.281   29.571  759.214   44.347  317.916   6.8638  334.511   9.7831 -16.59491 11.95074 
1 1 1    3    7    2 o  401.483   6.7277  1088.18   34.304  1078.29   41.683  1108.94   60.389  398.758   7.7137  404.209   11.025 -5.451202 13.45534 
1 1 1    3    7    3 o  257.790   5.4362  444.655   17.706  434.472   21.342  467.134   31.710  253.156   6.2212  262.425   8.9167 -9.268921 10.87248 
1 1 1    3    7    4 f  435.426   5.7666  1285.30   34.019  1260.78   47.517  1311.07   48.726  431.169   8.1324  439.682   8.1778 -8.512787 11.53314 
1 1 1    3    7    5 o  670.510   7.9645  3051.30   72.367  3073.28  102.649  3029.59  102.039  672.911   11.257  668.110   11.270 4.801575 15.92906 
1 1 1    3    7    6 o  654.248   7.8063  2904.84   69.210  2898.10   97.618  2911.65   98.140  653.487   11.023  655.010   11.056 -1.522888 15.61269 
1 1 1    3    7    7 o  537.458   6.6897  1959.30   48.721  1943.54   68.496  1975.43   69.315  535.273   9.4429  539.644   9.4785 -4.371643 13.37948 
1 1 1    3    7    8 o  690.837   8.1727  3238.73   76.507  3210.99  107.524  3267.17  108.884  687.844   11.535  693.831   11.580 -5.986877 16.34544 
1 1 1    3    7    9 o  756.260   10.856  3914.23  105.361  3976.12  130.190  3796.75  179.363  765.333   12.553  747.186   17.714 18.14734 21.71102 
1 1 1    3    7   10 o  477.602   7.5037  1511.93   45.080  1455.39   53.964  1642.50   82.008  463.269   8.5959  491.935   12.302 -28.66580 15.00742 
1 1 1    3    7   11 o  468.082   7.4699  1504.61   44.858  1545.34   55.574  1428.46   75.992  477.379   8.5907  458.785   12.223 18.59390 14.93982 
1 1 1    3    7   12 o  386.227   6.1806  996.234   27.711  982.264   31.722  1041.23   56.931  380.675   6.1493  391.780   10.723 -11.10532 12.36119 
1 1 1    3    7   13 o  203.522   4.7858  274.299   11.340  268.364   12.976  293.484   23.328  198.992   4.8119  208.052   8.2741 -9.059280 9.571544 
1 1 1    3    7   14 o  199.327   5.0925  266.730   12.934  261.839   15.730  276.939   22.727  196.549   5.9057  202.104   8.2981 -5.555725 10.18506 
1 1 1    3    7   15 f  400.811   6.7632  1098.99   34.706  1119.41   42.804  1059.81   59.295  406.350   7.7732  395.272   11.070 11.07712 13.52635 
1 1 1    3    7   16 o  434.725   7.0639  1282.96   39.306  1277.57   67.751  1285.70   48.258  433.973   11.520  435.477   8.1775 -1.504730 14.12772 
1 1 1    3    7   17 o  546.290   8.2642  1972.05   56.841  2165.12  103.463  1888.59   68.026  564.837   13.517  527.744   9.5120 37.09320 16.52831 
1 1 1    3    7   18 o  325.532   4.9083  718.291   21.652  728.269   30.715  708.437   30.525  327.779   6.9150  323.284   6.9677 4.494812 9.816653 
1 1 1    3    7   19 f  472.691   8.7065  1514.90   55.770   0.0000   0.0000  1514.90   55.770  ?   ?   472.691   8.7065      ?      ? 
1 1 1    3    7   20 o  478.923   7.5415  1555.02   46.107  1553.87   56.414  1557.33   80.015  478.733   8.6958  479.113   12.324 -0.3796082 15.08301 
1 1 1    3    7   21 o  283.919   5.6553  544.125   20.457  539.630   24.936  553.380   35.776  282.159   6.5215  285.680   9.2413 -3.520721 11.31068 
1 1 1    3    7   22 o  647.539   7.7519  2841.31   67.989  2758.99   94.341  2930.27   98.068  637.792   10.915  657.286   11.010 -19.49377 15.50379 
1 1 1    3    7   23 o  581.815   7.1336  2291.77   56.193  2202.77   77.498  2390.44   81.599  569.927   10.034  593.703   10.142 -23.77631 14.26716 
1 1 1    3    7   24 o  366.244   7.3916  909.295   36.685  909.295   36.685   0.0000   0.0000  366.244   7.3916  ?   ?       ?      ? 
1 1 1    3    7   26 o  681.944   8.1005  3150.26   74.798  3035.91  103.290  3276.33  108.460  668.956   11.394  694.931   11.517 -25.97437 16.20092 
1 1 1    3    7   27 o  703.187   8.3120  3352.79   79.177  3271.35  110.163  3439.82  113.876  694.364   11.708  712.010   11.802 -17.64642 16.62404 
1 1 1    3    7   29 o  611.723   7.4301  2538.30   61.589  2576.19   87.677  2501.39   86.534  616.230   10.499  607.217   10.516 9.012817 14.86022 
1 1 1    3    7   30 o  460.133   6.0517  1435.79   37.734  1452.96   53.488  1418.78   53.239  462.873   8.5274  457.393   8.5894 5.479431 12.10342 
1 1 1    3    7   31 o  530.936   6.6985  1911.99   48.192  1941.10   68.526  1883.51   67.788  534.935   9.4531  526.937   9.4932 7.997681 13.39707 
1 1 1    3    7   32 o  632.893   7.6392  2716.71   65.497  2655.25   91.225  2782.09   94.094  625.513   10.762  640.273   10.845 -14.75922 15.27835 
1 1 1    3    7   33 o  763.016   8.9508  3953.57   92.549  3943.70  130.478  3963.56  131.294  762.060   12.635  763.971   12.682 -1.910461 17.90165 
1 1 1    3    7   34 o  574.272   10.056  2230.74   78.072  2411.05  115.229  2077.72  106.151  595.618   14.276  552.927   14.167 42.69153 20.11238 
1 1 1    3    7   35 o  247.924   5.5536  413.152   17.560  406.043   21.381  427.883   30.779  244.717   6.4474  251.132   9.0443 -6.414047 11.10717 
1 1 1    3    7   36 o  438.989   5.8839  1306.70   34.994  1280.12   48.810  1334.81   50.196  434.400   8.2916  443.578   8.3506 -9.178253 11.76786 
1 1 1    3    7   37 o  269.841   4.6833  493.837   17.123  500.991   24.156  486.612   24.277  271.808   6.5581  267.875   6.6876 3.933105 9.366610 
1 1 1    3    7   38 o  342.091   5.1364  793.826   23.810  803.571   33.670  784.078   33.675  344.193   7.2186  339.988   7.3090 4.204895 10.27280 
1 1 1    3    7   39 o  527.739   6.6873  1890.66   47.821  1874.43   67.108  1907.40   68.163  525.442   9.4247  530.035   9.4899 -4.593018 13.37467 
1 1 1    3    7   40 o  509.921   7.9909  1749.91   51.632  1719.08   62.484  1816.29   91.676  503.181   9.1634  516.660   13.094 -13.47873 15.98185 
1 1 1    3    7   41 f  459.843   8.6483  1438.22   53.881  1478.80   76.740  1398.76   75.671  466.252   12.146  453.434   12.315 12.81787 17.29659 
1 1 1    3    7   42 o  334.736   6.3022  773.080   27.172  720.652   45.409  802.323   33.914  325.625   10.291  343.846   7.2783 -18.22040 12.60441 
1 1 1    3    7   43 o  500.936   6.4707  1703.96   43.914  1668.96   61.265  1740.93   62.979  495.654   9.1212  506.219   9.1806 -10.56531 12.94144 
1 1 1    3    7   44 o  411.171   8.0417  1148.02   44.808  1148.02   44.808   0.0000   0.0000  411.171   8.0417  ?   ?       ?      ? 
1 1 1    3    7   45 o  139.669   4.5069  132.344   8.5278  131.231   11.900  133.520   12.227  139.068   6.3143  140.271   6.4324 -1.203491 9.013711 
1 1 1    3    7   46 o  290.747   4.8238  573.636   19.003  564.514   26.566  583.193   27.192  288.383   6.7979  293.111   6.8459 -4.728638 9.647676 
1 1 1    3    7   47 o   75.413   5.7598   38.641   5.8858   38.623   8.2753   38.659   8.3732   75.397   8.0993   75.430   8.1916 -0.3229523E-01 11.51954 
1 1 1    3    7   48 o  102.952   4.9843   72.170   6.9153   81.495   9.8326   63.043   9.7276  109.564   6.6224   96.341   7.4509 13.22361 9.968609 
1 1 1    3    7   49 o  222.783   4.5468  336.462   13.716  319.261   19.018  355.106   19.800  216.855   6.4716  228.711   6.3884 -11.85568 9.093604 
1 1 1    3    7   50 f  184.067   6.3037  230.019   15.724  230.019   15.724   0.0000   0.0000  184.067   6.3037  ?   ?       ?      ? 
1 1 1    3    7   51 o  239.513   6.5032  389.565   21.108  389.565   21.108   0.0000   0.0000  239.513   6.5032  ?   ?       ?      ? 
1 1 1    3    7   52 o  115.131   5.7992   88.438   8.6561   95.951   14.806   84.536   10.669  118.720   9.2033  111.543   7.0584 7.177284 11.59840 
1 1 1    3    7   53 o   97.761   6.1987   63.797   7.8991   60.702   9.7958   69.553   13.357   94.488   7.6503  101.034   9.7555 -6.546211 12.39746 
1 1 1    3    7   54 o  212.168   5.5191  301.921   15.012  293.447   18.333  319.168   26.155  207.834   6.5094  216.502   8.9147 -8.667999 11.03829 
1 1 1    3    7   55 o  112.435   4.9727   85.915   7.5745   88.842   10.793   83.073   10.633  114.326   6.9662  110.545   7.0982 3.781013 9.945446 
1 1 1    3    7   56 o  258.121   6.7368  452.847   23.565  452.847   23.565   0.0000   0.0000  258.121   6.7368  ?   ?       ?      ? 
1 1 1    3    7   57 o   99.943   5.3541   67.959   7.2513   67.580   10.242   68.341   10.267   99.663   7.5838  100.224   7.5598 -0.5608063 10.70819 
1 1 1    3    7   58 o  180.333   5.6947  221.167   13.115  220.655   16.049  222.197   22.750  180.166   6.5736  180.500   9.3009 -0.3342438 11.38944 
1 1 1    3    7   59 o  265.980   5.9920  478.676   20.266  491.875   35.646  472.371   24.636  268.417   9.7997  263.543   6.8981 4.874451 11.98405 
1 1 1    3    7   60 o  163.639   4.8258  181.993   10.697  188.041   15.378  176.323   14.889  166.271   6.8251  161.007   6.8242 5.264175 9.651530 
1 1 1    3    7   61 o  195.847   4.7725  260.986   12.632  236.551   17.684  286.447   18.051  186.454   6.9987  205.239   6.4903 -18.78473 9.544952 
1 1 1    3    7   62 o  177.144   6.6668  214.301   16.000  213.000   22.351  215.668   22.914  176.606   9.3390  177.682   9.5166 -1.075836 13.33352 
1 1 1    3    7   63 o  197.529   5.8183  263.794   14.668  259.361   17.880  272.920   25.653  195.221   6.7585  199.838   9.4728 -4.617676 11.63657 
1 1 1    3    7   64 o  137.714   4.9591  129.098   9.2514  134.094   13.220  124.302   12.951  140.331   6.9518  135.098   7.0741 5.232697 9.918173 
1 1 1    3    7   65 o   78.716   6.3827   42.354   6.8054   44.158   9.7027   40.606   9.5477   80.376   8.9081   77.057   9.1434 3.318901 12.76540 
1 1 1    3    7   66 o  109.538   5.4372   81.909   8.0649   78.056   11.380   85.796   11.431  106.933   7.8533  112.144   7.5219 -5.210953 10.87441 
1 1 1    3    7   67 o  104.966   6.7864   76.468   9.0925   72.812   15.553   78.367   11.207  102.812   11.163  107.120   7.7205 -4.307800 13.57285 
1 1 1    3    7   68 o  137.724   6.0830  125.580   10.780  143.698   18.930  116.884   13.114  144.635   9.6582  130.813   7.3980 13.82191 12.16605 
1 1 1    3    7   69 o  185.605   5.7153  224.233   13.590  202.622   16.386  271.851   24.323  172.232   7.0207  198.978   9.0205 -26.74519 11.43066 
1 1 1    3    7   70 o  151.258   6.1606  161.838   11.927  173.318   14.949  141.732   19.783  159.239   6.9277  143.277   10.189 15.96223 12.32128 
1 1 1    3    7   71 o  141.236   6.2702  138.795   11.317  132.736   19.327  141.956   13.961  138.476   10.299  143.995   7.1547 -5.519333 12.54034 
1 1 1    3    7   72 o  105.720   5.6406   76.788   8.0749   72.760   11.297   80.997   11.546  102.862   8.1045  108.578   7.8474 -5.716362 11.28115 
1 1 1    3    7   73 o   83.897   7.7209   48.791   8.2457   48.135   10.046   50.147   14.436   83.454   8.8827   84.340   12.631 -0.8854675 15.44187 
1 1 1    3    7   74 o   56.130   8.6237   23.035   6.3728   23.891   9.0126   22.180   9.0125   57.242   12.002   55.019   12.386 2.222931 17.24747 
1 1 1    3    7   75 o  113.638   6.5667   90.818   9.5916   86.784   16.164   93.010   11.916  111.164   10.730  116.112   7.5733 -4.947914 13.13335 
1 1 1    3    7   76 o  145.078   5.0362  145.501   9.8643  159.754   13.951  131.250   13.950  152.327   6.7584  137.829   7.4685 14.49834 10.07249 
1 1 1    3    7   77 o   82.337   6.3751   47.356   7.0738   41.032   9.8100   54.206   10.210   76.486   9.4646   88.189   8.5432 -11.70284 12.75013 
1 1 1    3    7   78 o   59.006   8.0718   25.971   6.2471   35.068   8.8358   16.879   8.8336   70.643   9.2298   47.370   13.245 23.27300 16.14363 
1 1 1    3    7   79 o   49.496   8.2706   17.569   6.0545   7.2830   8.2938   29.304   8.8589   34.812   13.033   64.179   10.186 -29.36646 16.54114 
1 1 1    3    7   80 o  104.172   5.6771   75.679   7.9309   61.867   10.836   91.612   11.639   93.761   8.5285  114.582   7.4956 -20.82044 11.35426 
1 1 1    3    7   81 o  135.922   6.3683  132.062   11.057  127.735   18.886  134.318   13.639  133.146   10.467  138.698   7.2566 -5.552811 12.73662 
1 1 1    3    7   82 o   45.396   8.9164   16.642   7.0919  -2.4418   11.990   26.912   8.7954   30.867   13.841   59.926   11.244 -29.05909 17.83275 
1 1 1    3    7   83 o   95.494   7.4260   68.405   9.0007   59.112   14.969   73.668   11.265   88.947   12.418  102.040   8.1464 -13.09324 14.85196 
1 1 1    3    7   84 o   61.002   10.990   30.413   9.1588   25.965   12.684   35.258   13.238   56.018   15.945   65.986   15.128 -9.968277 21.97929 
1 1 1    3    7   85 o   60.408   11.285   29.131   9.5711   19.752   12.508   42.380   14.867   49.020   16.197   71.795   15.716 -22.77500 22.56904 
1 1 1    3    7   86 o   71.458   10.469   38.919   10.101   22.097   13.005   64.500   16.038   51.165   16.492   91.751   12.899 -40.58627 20.93719 
1 1 1    3    7   87 o   54.091   11.651   24.318   9.5020   17.122   12.649   33.638   14.395   45.811   16.252   62.372   16.699 -16.56122 23.30212 
1 1 1    3    7   88 o   98.717   12.689   75.543   16.975   0.0000   0.0000   75.543   16.975  ?   ?    98.717   12.689      ?      ? 
1 1 1    3    7   89 o   91.039   13.568   66.167   16.739   0.0000   0.0000   66.167   16.739  ?   ?    91.039   13.568      ?      ? 
1 1 1    3    7   90 o   42.596   11.439   14.973   9.0910   14.486   12.409   15.537   13.357   42.046   15.899   43.145   16.451 -1.098640 22.87843 
1 1 1    3    7   91 o   36.195   10.724   7.0614   9.0964   12.885   12.831   1.1767   12.898   40.231   15.902   32.160   14.393 8.071419 21.44871 
1 1 1    3    7   92 o   52.528   11.943   26.562   10.109   36.470   14.643   17.538   13.974   61.474   17.004   43.582   16.776 17.89265 23.88700 
1 1 1    3    7   93 o   35.992   10.483   6.2763   9.1290  -6.0094   12.789   19.041   13.036   27.755   13.086   44.229   16.382 -16.47367 20.96697 
1 1 1    3    7   94 o   30.354   9.6313  -0.8629   8.7850 -12.0570   12.532   9.9541   12.319   24.832   12.033   35.877   15.042 -11.04470 19.26256 
1 1 1    3    8    0 o  249.621   5.4314  430.071   17.515  396.137   28.990  449.578   21.980  241.704   8.8508  257.539   6.2980 -15.83571 10.86289 
1 1 1    3    8    1 o  265.551   5.5144  483.956   18.915  458.174   31.563  498.402   23.628  259.940   8.9604  271.161   6.4300 -11.22189 11.02872 
1 1 1    3    8    2 o  466.730   7.3934  1474.39   44.220  1487.15   76.283  1467.94   54.269  468.170   12.024  465.291   8.6069 2.878937 14.78676 
1 1 1    3    8    3 o  579.638   8.7026  2296.67   64.921  2224.92  109.855  2335.17   80.477  572.496   14.160  586.778   10.121 -14.28204 17.40513 
1 1 1    3    8    4 o  621.659   9.1711  2614.12   72.854  2648.07  126.526  2597.28   89.109  624.511   14.950  618.808   10.626 5.702942 18.34220 
1 1 1    3    8    5 o  393.579   5.4547  1049.23   29.080  1017.75   40.402  1083.07   41.888  387.459   7.6947  399.699   7.7334 -12.24042 10.90936 
1 1 1    3    8    6 o  301.489   4.7559  616.036   19.428  610.478   27.219  621.809   27.740  300.103   6.6929  302.874   6.7585 -2.771057 9.511747 
1 1 1    3    8    7 o  451.601   5.9411  1382.48   36.354  1367.07   50.955  1398.46   51.883  449.039   8.3738  454.163   8.4300 -5.123505 11.88216 
1 1 1    3    8    8 o  266.312   4.5415  480.293   16.382  464.638   22.775  497.078   23.582  261.820   6.4191  270.805   6.4261 -8.985382 9.082976 
1 1 1    3    8    9 o  429.671   5.7597  1250.61   33.522  1216.03   46.587  1287.74   48.272  423.517   8.1173  435.824   8.1734 -12.30734 11.51931 
1 1 1    3    8   10 o  496.310   7.3297  1655.70   42.315  1641.83   48.553  1699.52   86.296  492.141   7.2802  500.478   12.724 -8.337036 14.65950 
1 1 1    3    8   11 o  344.697   5.8733  797.268   23.503  789.653   26.934  821.574   48.119  341.334   5.8228  348.061   10.202 -6.726898 11.74664 
1 1 1    3    8   12 o  415.381   6.5623  1184.02   32.002  1198.51   37.076  1141.70   63.370  420.501   6.5065  410.262   11.398 10.23901 13.12469 
1 1 1    3    8   13 o  414.856   6.5644  1183.17   31.991  1199.96   37.095  1134.44   63.197  420.756   6.5058  408.956   11.403 11.79996 13.12875 
1 1 1    3    8   14 o  393.653   6.2769  1050.33   33.484  1050.33   33.484   0.0000   0.0000  393.653   6.2769  ?   ?       ?      ? 
1 1 1    3    8   15 o  240.722   5.0798  392.716   16.571  392.716   16.571   0.0000   0.0000  240.722   5.0798  ?   ?       ?      ? 
1 1 1    3    8   16 o  747.508   10.094  3789.29  102.254  3789.29  102.254   0.0000   0.0000  747.508   10.094  ?   ?       ?      ? 
1 1 1    3    8   17 o  605.533   8.5588  2518.85   61.157  2552.18   71.062  2423.68  120.092  613.542   8.5470  597.524   14.831 16.01807 17.11765 
1 1 1    3    8   18 o  298.337   5.5905  608.599   19.440  613.690   22.421  593.181   39.019  300.913   5.4984  295.760   9.7355 5.153290 11.18091 
1 1 1    3    8   19 o  490.255   8.9495  1629.68   59.457   0.0000   0.0000  1629.68   59.457  ?   ?   490.255   8.9495      ?      ? 
1 1 1    3    8   20 o  535.240   6.7102  1942.55   48.669  1967.00   69.139  1918.53   68.521  538.579   9.4731  531.901   9.5063 6.678101 13.42046 
1 1 1    3    8   22 o  337.602   5.0433  772.467   23.070  761.589   32.316  783.773   32.945  335.179   7.1146  340.025   7.1498 -4.845795 10.08652 
1 1 1    3    8   24 o  495.159   6.3647  1662.68   42.707  1658.75   60.187  1666.67   60.608  494.571   8.9803  495.747   9.0217 -1.176605 12.72932 
1 1 1    3    8   25 f  565.141   6.9995  2165.36   53.591  2120.15   74.754  2213.18   76.869  559.076   9.8669  571.206   9.9306 -12.13037 13.99901 
1 1 1    3    8   26 o  236.780   4.5136  379.974   14.480  376.184   20.236  383.950   20.728  235.571   6.3390  237.988   6.4271 -2.417511 9.027231 
1 1 1    3    8   27 o  680.868   8.1086  3145.87   74.810  3118.98  105.056  3173.54  106.555  677.919   11.436  683.817   11.499 -5.898315 16.21711 
1 1 1    3    8   28 o  698.227   8.2951  3307.00   78.458  3225.75  109.152  3393.85  112.853  689.365   11.684  707.089   11.778 -17.72424 16.59011 
1 1 1    3    8   29 o  273.201   4.6991  505.022   17.380  480.054   23.970  532.698   25.236  266.095   6.6474  280.306   6.6437 -14.21094 9.398231 
1 1 1    3    8   30 f  386.774   6.7419  1025.64   33.461  980.959   56.773  1049.42   41.420  380.167   11.020  393.380   7.7699 -13.21259 13.48385 
1 1 1    3    8   31 o  704.290   10.269  3412.76   93.282  3234.09  156.167  3511.87  116.311  689.420   16.716  719.160   11.935 -29.73981 20.53901 
1 1 1    3    8   32 o  584.805   8.8419  2315.47   65.837  2300.90   80.250  2345.47  115.144  582.250   10.171  587.360   14.466 -5.109985 17.68376 
1 1 1    3    8   33 o  235.824   5.5249  374.451   16.546  369.409   20.083  385.108   29.196  233.413   6.3492  238.235   9.0436 -4.822311 11.04982 
1 1 1    3    8   34 o  339.620   5.1269  782.325   23.593  784.994   33.164  779.589   33.572  340.209   7.1934  339.030   7.3073 1.178589 10.25384 
1 1 1    3    8   35 o  382.721   5.4592  993.682   28.311  1009.61   40.106  977.864   39.970  385.780   7.6716  379.661   7.7689 6.118958 10.91833 
1 1 1    3    8   36 o  387.429   5.4904  1017.16   28.808  981.906   39.899  1055.55   41.637  380.427   7.7394  394.431   7.7898 -14.00461 10.98088 
1 1 1    3    8   37 o  529.698   13.454  1909.37   96.574   0.0000   0.0000  1909.37   96.574  ?   ?   529.698   13.454      ?      ? 
1 1 1    3    8   38 o  497.931   12.911  1687.22   87.119   0.0000   0.0000  1687.22   87.119  ?   ?   497.931   12.911      ?      ? 
1 1 1    3    8   39 o  458.581   6.0936  1427.12   37.857  1395.72   52.772  1460.41   54.339  453.390   8.5891  463.772   8.6462 -10.38174 12.18724 
1 1 1    3    8   40 o  251.605   9.1128  430.018   31.071  430.018   31.071   0.0000   0.0000  251.605   9.1128  ?   ?       ?      ? 
1 1 1    3    8   41 o  244.413   5.6254  408.334   17.700  396.738   29.955  414.554   21.939  241.647   9.1477  247.178   6.5497 -5.530746 11.25071 
1 1 1    3    8   43 o  365.878   7.5605  908.982   37.486  908.982   37.486   0.0000   0.0000  365.878   7.5605  ?   ?       ?      ? 
1 1 1    3    8   44 o   89.749   5.2779   54.596   6.4102   50.762   8.8738   58.782   9.2701   86.456   7.5741   93.041   7.3523 -6.585480 10.55575 
1 1 1    3    8   45 o  290.195   4.8432  571.232   19.038  551.501   26.483  592.331   27.386  285.013   6.8569  295.376   6.8417 -10.36325 9.686367 
1 1 1    3    8   46 o  266.356   6.7226  481.681   24.265   0.0000   0.0000  481.681   24.265  ?   ?   266.356   6.7226      ?      ? 
1 1 1    3    8   47 o  121.536   4.7176  100.358   7.7648  103.309   10.907   97.325   11.057  123.354   6.5246  119.717   6.8157 3.637283 9.435217 
1 1 1    3    8   48 o  187.379   4.4871  238.287   11.392  233.624   15.915  243.188   16.313  185.500   6.3309  189.257   6.3605 -3.757172 8.974255 
1 1 1    3    8   49 o  178.462   5.4568  216.736   12.537  215.648   21.345  217.310   15.491  178.031   8.8474  178.893   6.3901 -0.8623047 10.91370 
1 1 1    3    8   50 o  118.658   6.0728  100.962   9.0929   79.799   15.016  113.216   11.426  108.205   10.240  129.110   6.5306 -20.90445 12.14560 
1 1 1    3    8   51 o  191.478   4.5235  249.095   11.731  258.892   16.610  239.344   16.571  195.244   6.2777  187.712   6.5145 7.532333 9.046977 
1 1 1    3    8   52 o  174.940   5.5292  208.884   12.356  210.373   15.161  205.939   21.323  175.984   6.3575  173.896   9.0483 2.087723 11.05848 
1 1 1    3    8   53 o  193.230   5.4711  245.253   13.522  229.133   16.351  280.129   24.050  183.635   6.5704  202.824   8.7500 -19.18892 10.94228 
1 1 1    3    8   54 o  165.208   4.6196  185.279   10.333  174.210   14.381  197.091   14.855  160.106   6.6282  170.311   6.4367 -10.20467 9.239270 
1 1 1    3    8   55 o   67.687   8.5330   31.488   7.1213   30.711   8.5952   33.188   12.718   67.110   9.4512   68.265   14.210 -1.154953 17.06597 
1 1 1    3    8   56 o  205.855   5.7033  286.838   14.920  283.704   18.135  293.404   26.247  204.295   6.5507  207.415   9.3380 -3.120087 11.40661 
1 1 1    3    8   57 o  211.779   4.6866  304.719   13.441  321.131   19.267  289.160   18.759  217.339   6.5417  206.218   6.7128 11.12070 9.373103 
1 1 1    3    8   58 o  278.687   7.0823  528.400   26.747  528.400   26.747   0.0000   0.0000  278.687   7.0823  ?   ?       ?      ? 
1 1 1    3    8   59 o  268.058   6.0973  495.528   20.861  472.976   35.739  507.183   25.692  263.083   10.024  273.034   6.9437 -9.950958 12.19451 
1 1 1    3    8   60 o   83.959   6.1881   48.536   6.9626   40.880   9.9528   55.875   9.7437   77.364   9.4934   90.555   7.9401 -13.19121 12.37620 
1 1 1    3    8   61 o  223.870   4.7534  340.879   14.408  321.230   20.154  361.414   20.604  217.257   6.8456  230.482   6.5968 -13.22487 9.506837 
1 1 1    3    8   62 o  185.989   4.7575  235.387   11.988  241.780   17.098  229.204   16.815  188.477   6.6941  183.501   6.7618 4.975616 9.514924 
1 1 1    3    8   63 o  154.831   4.8646  163.127   10.193  175.361   14.632  151.594   14.207  160.484   6.7283  149.179   7.0277 11.30435 9.729249 
1 1 1    3    8   64 o  121.859   5.2299  101.222   8.6320  105.849   12.330   96.773   12.089  124.599   7.3022  119.118   7.4891 5.480904 10.45985 
1 1 1    3    8   65 o  112.590   6.5234   85.135   9.3914   91.934   16.517   81.887   11.416  115.662   10.538  109.519   7.6923 6.143082 13.04690 
1 1 1    3    8   66 o   81.171   13.371   45.774   14.708   45.774   14.708   0.0000   0.0000   81.171   13.371  ?   ?       ?      ? 
1 1 1    3    8   67 o  121.058   7.7497  101.237   12.703  105.285   17.905   97.134   18.025  123.550   10.694  118.566   11.219 4.984154 15.49931 
1 1 1    3    8   68 o  117.402   5.3877   94.481   8.5418  104.122   12.138   85.022   12.023  123.399   7.2585  111.405   7.9638 11.99449 10.77535 
1 1 1    3    8   69 o   86.204   7.7052   53.832   8.4087   59.446   10.553   44.067   13.917   93.038   8.3698   79.370   12.939 13.66815 15.41049 
1 1 1    3    8   70 o  176.125   6.8821  212.325   16.426  212.325   16.426   0.0000   0.0000  176.125   6.8821  ?   ?       ?      ? 
1 1 1    3    8   71 o  125.036   6.4759  107.553   10.245  106.640   12.420  109.495   18.122  124.649   7.3528  125.424   10.662 -0.7756424 12.95179 
1 1 1    3    8   72 o   84.195   6.2497   49.024   7.1296   47.850   10.009   50.233   10.158   83.164   8.8810   85.226   8.7956 -2.062119 12.49940 
1 1 1    3    8   73 o   94.520   5.8356   61.810   7.4547   56.270   10.471   67.503   10.615   90.149   8.5715   98.892   7.9212 -8.743698 11.67113 
1 1 1    3    8   74 o   50.227   9.9181   19.424   7.0595   14.020   11.777   22.456   8.8197   45.196   15.709   55.259   12.112 -10.06314 19.83614 
1 1 1    3    8   75 o  110.989   6.9043   91.346   9.6350   70.161   15.748  104.021   12.181   99.282   11.705  122.695   7.3260 -23.41320 13.80856 
1 1 1    3    8   76 o  155.112   5.0202  165.686   10.514  146.979   14.413  186.960   15.370  145.704   7.2996  164.520   6.8940 -18.81622 10.04049 
1 1 1    3    8   77 o  107.254   5.5473   80.179   8.0539   81.962   11.218   78.282   11.570  108.566   7.6247  105.941   8.0593 2.624863 11.09455 
1 1 1    3    8   78 o   37.966   8.5191   7.7341   6.6865 -12.4661   10.923   19.841   8.4562   24.669   11.764   51.262   12.325 -26.59308 17.03815 
1 1 1    3    8   79 o   89.199   7.5115   59.304   8.5490   49.695   13.947   65.087   10.820   82.185   12.523   96.212   8.2988 -14.02740 15.02300 
1 1 1    3    8   80 o   85.074   7.6562   52.700   8.4388   51.454   14.008   53.409   10.573   83.424   12.391   86.725   8.9961 -3.300606 15.31244 
1 1 1    3    8   81 o   31.254   9.1280   3.0901   6.5156  -3.2399   10.551   6.9919   8.2838   28.471   12.856   34.037   12.961 -5.566767 18.25600 
1 1 1    3    8   82 o   75.807   8.0058   40.894   7.9438   47.992   13.427   37.071   9.8534   80.110   12.368   71.504   10.169 8.605598 16.01169 
1 1 1    3    8   83 o   29.679   9.3534  -1.7373   7.7178   1.7715   10.154  -6.5376   11.877   31.099   13.368   28.259   13.086 2.840630 18.70687 
1 1 1    3    8   84 o   58.652   15.214   28.330   12.195   28.330   12.195   0.0000   0.0000   58.652   15.214  ?   ?       ?      ? 
1 1 1    3    8   85 o   89.203   9.1623   60.271   10.953   55.543   14.278   67.034   17.075   85.516   12.321   92.890   13.565 -7.373489 18.32469 
1 1 1    3    8   86 o   61.581   11.459   33.104   9.8905   39.098   13.410   25.954   14.646   68.974   14.791   54.188   17.505 14.78576 22.91739 
1 1 1    3    8   87 o   54.177   11.785   25.674   9.5054   22.502   12.935   29.397   14.015   50.800   16.455   57.554   16.875 -6.753819 23.57013 
1 1 1    3    8   88 o   28.010   13.121  -7.2399   12.500   0.0000   0.0000  -7.2399   12.500  ?   ?    28.010   13.121      ?      ? 
1 1 1    3    8   89 o   50.172   17.095   23.318   13.923   0.0000   0.0000   23.318   13.923  ?   ?    50.172   17.095      ?      ? 
1 1 1    3    8   90 o   40.502   11.154   11.438   9.5502   0.9218   13.382   22.355   13.634   32.365   14.559   48.639   16.902 -16.27379 22.30827 
1 1 1    3    8   91 o   65.739   12.051   41.511   10.818   44.139   15.742   39.159   14.891   67.701   17.142   63.778   16.942 3.922279 24.10149 
1 1 1    3    8   92 o   41.021   11.253   13.742   9.6255   24.998   13.929   3.4556   13.316   49.272   17.087   32.769   14.648 16.50294 22.50616 
1 1 1    3    8   93 o   29.240   9.5903  -1.8329   9.0942  -4.2034   12.759   0.6151   12.966   28.024   13.169   30.456   13.946 -2.431444 19.18059 
1 1 1    3    9    0 o  713.058   8.4211  3447.40   81.348  3377.08  113.351  3522.09  116.813  705.568   11.855  720.549   11.963 -14.98071 16.84215 
1 1 1    3    9    1 o  1316.13   14.648 11778.78  261.243 11747.08  368.566 11810.79  370.348  1314.35   20.693  1317.90   20.737 -3.549683 29.29533 
1 1 1    3    9    2 o  877.131   10.076  5208.18  119.595  4969.32  163.852  5480.52  174.959  855.676   14.131  898.586   14.368 -42.90942 20.15217 
1 1 1    3    9    3 o  631.914   7.6320  2707.52   65.344  2668.84   91.376  2748.00   93.480  627.299   10.749  636.529   10.837 -9.229553 15.26407 
1 1 1    3    9    4 o  801.167   9.3030  4355.19  100.998  4331.73  142.089  4379.15  143.588  798.989   13.123  803.345   13.190 -4.356018 18.60599 
1 1 1    3    9    5 o  533.614   6.7126  1929.76   48.525  1890.33   67.600  1971.68   69.698  527.995   9.4478  539.233   9.5381 -11.23834 13.42521 
1 1 1    3    9    6 o  422.458   5.7426  1209.70   32.870  1241.35   46.806  1178.91   46.172  427.910   8.0717  417.006   8.1706 10.90402 11.48530 
1 1 1    3    9    7 f  425.277   5.7750  1225.66   33.271  1207.89   46.350  1244.54   47.787  422.101   8.1032  428.454   8.2304 -6.352386 11.54992 
1 1 1    3    9    8 o  1112.72   15.347  8447.12  218.600  8497.64  268.726  8348.28  375.853  1118.39   17.731  1107.05   25.053 11.34094 30.69308 
1 1 1    3    9    9 o  1044.47   14.462  7287.32  190.216  7074.12  228.350  7770.61  343.801  1020.60   16.511  1068.33   23.747 -47.73663 28.92307 
1 1 1    3    9   10 o  516.503   8.0501  1781.18   52.378  1734.58   62.932  1886.25   94.490  505.781   9.1817  527.225   13.225 -21.44363 16.10017 
1 1 1    3    9   11 o  490.840   7.3483  1629.15   41.987  1624.59   48.260  1643.36   85.163  489.548   7.2746  492.132   12.770 -2.584351 14.69654 
1 1 1    3    9   12 o  894.205   11.860  5379.62  123.357  5331.27  141.534  5532.43  251.612  886.487   11.782  901.922   20.586 -15.43469 23.71927 
1 1 1    3    9   13 o  640.720   8.9992  2824.34   68.124  2866.00   79.240  2706.32  133.372  650.135   8.9941  631.305   15.590 18.83008 17.99834 
1 1 1    3    9   14 o  592.430   8.4343  2402.39   58.794  2424.35   68.143  2338.39  116.299  597.972   8.4092  586.889   14.623 11.08295 16.86852 
1 1 1    3    9   15 o  445.589   6.9405  1366.29   36.397  1387.06   42.256  1306.57   71.649  452.350   6.8933  438.827   12.049 13.52319 13.88107 
1 1 1    3    9   16 o  357.318   6.1419  880.922   25.729  896.612   29.832  835.368   50.832  363.705   6.0528  350.931   10.689 12.77356 12.28371 
1 1 1    3    9   17 o  133.484   5.1611  119.818   8.1264  118.828   9.3890  122.776   16.224  132.411   5.2325  134.557   8.8977 -2.146881 10.32225 
1 1 1    3    9   18 o  592.675   8.4159  2383.27   58.383  2382.98   67.331  2384.13  117.205  592.823   8.3813  592.526   14.597 0.2968750 16.83180 
1 1 1    3    9   19 o  547.324   7.9681  2068.44   51.617  2107.86   60.164  1958.53  100.471  557.565   7.9627  537.084   13.804 20.48157 15.93628 
1 1 1    3    9   20 o  319.296   5.7517  689.282   21.496  687.313   24.772  695.284   43.250  318.435   5.7407  320.156   9.9687 -1.721771 11.50347 
1 1 1    3    9   21 o  498.928   7.3935  1672.37   42.980  1656.87   49.345  1721.11   87.487  494.345   7.3660  503.513   12.822 -9.168152 14.78708 
1 1 1    3    9   22 o  599.814   7.3304  2440.92   59.583  2455.28   84.388  2426.65   84.140  601.574   10.352  598.055   10.382 3.519104 14.66086 
1 1 1    3    9   23 o  210.331   4.4050  299.931   12.546  315.140   17.835  285.034   17.652  215.611   6.1042  205.050   6.3526 10.56155 8.810061 
1 1 1    3    9   24 o  236.755   4.5058  379.999   14.456  379.254   20.386  380.752   20.502  236.522   6.3603  236.988   6.3840 -0.4660950 9.011580 
1 1 1    3    9   25 o  282.132   4.7472  538.532   18.130  507.845   25.019  572.463   26.309  273.686   6.7459  290.578   6.6812 -16.89236 9.494484 
1 1 1    3    9   26 o  154.172   5.4363  158.048   10.685  170.348   18.913  152.282   12.950  158.471   8.8068  149.872   6.3761 8.599121 10.87267 
1 1 1    3    9   27 o  353.264   6.4143  851.802   29.052  830.508   49.633  862.899   35.832  349.812   10.470  356.716   7.4125 -6.904205 12.82851 
1 1 1    3    9   28 f  423.551   7.0642  1201.06   37.852  1172.80   45.675  1263.01   67.632  415.822   8.1057  431.280   11.572 -15.45889 14.12845 
1 1 1    3    9   29 o  432.690   11.770  1271.56   69.012   0.0000   0.0000  1271.56   69.012  ?   ?   432.690   11.770      ?      ? 
1 1 1    3    9   30 o  235.039   5.5675  373.663   16.634  371.653   20.247  377.836   29.177  234.115   6.3817  235.963   9.1248 -1.847336 11.13497 
1 1 1    3    9   31 o  261.628   4.6806  464.269   16.591  469.578   23.329  458.834   23.602  263.145   6.5420  260.112   6.6958 3.033020 9.361147 
1 1 1    3    9   32 o  449.310   6.0014  1369.92   36.539  1365.04   51.388  1374.90   51.966  448.505   8.4550  450.116   8.5194 -1.611755 12.00279 
1 1 1    3    9   33 o  525.559   6.6747  1875.27   47.537  1893.21   67.429  1857.55   67.027  528.059   9.4228  523.058   9.4562 5.000977 13.34945 
1 1 1    3    9   34 o  353.804   6.4888  863.290   29.436  893.451   36.530  807.438   49.710  362.881   7.4285  344.726   10.641 18.15482 12.97752 
1 1 1    3    9   35 o  180.000   8.9637  220.000   21.865   0.0000   0.0000  220.000   21.865  ?   ?   180.000   8.9637      ?      ? 
1 1 1    3    9   37 o  132.050   4.6229  118.450   8.2615  124.295   11.613  112.461   11.755  135.358   6.3312  128.743   6.7379 6.615326 9.245724 
1 1 1    3    9   38 o  181.733   8.6498  224.327   21.302  224.327   21.302   0.0000   0.0000  181.733   8.6498  ?   ?       ?      ? 
1 1 1    3    9   39 o  147.405   5.3147  143.594   10.164  160.851   17.467  134.759   12.498  153.887   8.3757  140.922   6.5445 12.96596 10.62934 
1 1 1    3    9   40 o  200.657   4.4825  273.260   12.187  277.464   17.185  269.007   17.284  202.213   6.2714  199.101   6.4062 3.111740 8.964931 
1 1 1    3    9   41 o  223.488   4.5489  338.948   13.775  337.069   19.328  340.887   19.638  222.860   6.4000  224.115   6.4661 -1.254745 9.097816 
1 1 1    3    9   42 o  167.270   6.3683  189.900   14.435   0.0000   0.0000  189.900   14.435  ?   ?   167.270   6.3683      ?      ? 
1 1 1    3    9   43 o  143.737   4.5689  140.163   8.8966  137.052   12.388  143.476   12.785  142.092   6.4334  145.382   6.4894 -3.290009 9.137881 
1 1 1    3    9   44 o  286.266   4.8535  556.319   18.825  546.580   26.364  566.451   26.890  283.711   6.8573  288.820   6.8703 -5.109680 9.706908 
1 1 1    3    9   45 o  456.459   6.1272  1415.68   37.883  1374.83   52.597  1459.72   54.608  449.628   8.6323  463.289   8.6981 -13.66055 12.25448 
1 1 1    3    9   46 o  333.684   6.3310  758.578   27.065  754.453   46.534  760.687   33.272  332.771   10.319  334.597   7.3380 -1.826019 12.66209 
1 1 1    3    9   47 o   90.740   6.5788   54.902   7.7086   59.797   13.311   52.432   9.4555   93.663   10.488   87.817   7.9455 5.845901 13.15756 
1 1 1    3    9   48 o  236.564   4.6629  380.045   14.946  373.690   20.954  386.627   21.326  234.552   6.5924  238.577   6.5963 -4.025116 9.325810 
1 1 1    3    9   49 o  293.535   6.9948  585.535   27.824   0.0000   0.0000  585.535   27.824  ?   ?   293.535   6.9948      ?      ? 
1 1 1    3    9   50 o  253.214   4.7431  435.662   16.275  434.598   22.892  436.750   23.141  252.904   6.6796  253.523   6.7357 -0.6193695 9.486153 
1 1 1    3    9   51 o  178.169   4.6709  215.856   11.267  219.798   15.691  211.660   16.189  179.862   6.4377  176.475   6.7695 3.386627 9.341881 
1 1 1    3    9   52 o  174.339   6.4893  206.542   15.331  206.542   15.331   0.0000   0.0000  174.339   6.4893  ?   ?       ?      ? 
1 1 1    3    9   53 o  310.043   6.2792  664.141   24.878  683.657   30.725  626.988   42.392  317.058   7.1511  303.027   10.323 14.03104 12.55831 
1 1 1    3    9   54 o  258.862   6.8422  455.644   24.002   0.0000   0.0000  455.644   24.002  ?   ?   258.862   6.8422      ?      ? 
1 1 1    3    9   55 o  145.526   4.8329  144.010   9.5290  140.066   13.408  148.035   13.545  143.508   6.8946  147.544   6.7744 -4.035477 9.665824 
1 1 1    3    9   56 o  201.346   4.7322  275.595   12.909  283.941   18.441  267.577   18.076  204.337   6.6598  198.355   6.7249 5.982483 9.464498 
1 1 1    3    9   57 o  170.113   4.7369  196.829   10.920  196.980   15.492  196.679   15.394  170.176   6.7176  170.050   6.6804 0.1264801 9.473839 
1 1 1    3    9   58 o   83.629   7.4795   45.909   8.0200   53.873   14.255   42.220   9.7010   88.612   11.871   78.647   9.1023 9.965073 14.95908 
1 1 1    3    9   59 o  172.443   5.9103  203.503   12.907  200.852   22.650  204.779   15.706  171.404   9.7514  173.482   6.6809 -2.077255 11.82053 
1 1 1    3    9   60 o  143.765   4.9428  140.744   9.6276  139.921   13.733  141.540   13.501  143.344   7.0700  144.187   6.9094 -0.8432007 9.885614 
1 1 1    3    9   61 o  186.363   4.7850  236.508   12.083  233.005   17.109  239.995   17.068  184.978   6.8252  187.748   6.7084 -2.770050 9.570027 
1 1 1    3    9   62 o  122.734   6.3196   97.130   10.177   80.207   12.614  128.692   17.226  108.336   8.5919  137.132   9.2698 -28.79604 12.63928 
1 1 1    3    9   63 o  175.566   6.8977  210.111   16.411   0.0000   0.0000  210.111   16.411  ?   ?   175.566   6.8977      ?      ? 
1 1 1    3    9   64 o  164.079   4.8825  183.402   10.849  190.785   15.673  176.608   15.034  167.244   6.9152  160.913   6.8945 6.330444 9.764940 
1 1 1    3    9   65 o  143.799   5.0008  141.190   9.7442  141.203   13.871  141.176   13.691  143.799   7.1184  143.800   7.0258 -0.7171631E-03 10.00167 
1 1 1    3    9   66 o  138.080   5.1050  130.337   9.5519  130.074   13.564  130.595   13.454  137.936   7.2563  138.224   7.1826 -0.2886353 10.20994 
1 1 1    3    9   67 o  157.644   4.9577  169.909   10.588  164.383   14.859  175.609   15.092  155.028   7.0727  160.260   6.9492 -5.232025 9.915355 
1 1 1    3    9   68 o   62.696   9.9899   29.847   7.9826   32.861   9.6483   23.308   14.212   68.874   10.338   56.518   17.098 12.35560 19.97980 
1 1 1    3    9   69 o   59.463   9.4047   28.089   7.5641   36.311   9.5797   14.476   12.327   72.407   9.7631   46.519   16.077 25.88803 18.80939 
1 1 1    3    9   70 o  126.897   6.4181  111.214   10.552  112.182   17.753  110.686   13.121  126.935   10.321  126.859   7.6323 0.7638550E-01 12.83610 
1 1 1    3    9   71 o   67.236   9.1416   31.981   7.6387   30.764   9.2330   34.622   13.599   66.383   10.264   68.089   15.131 -1.706039 18.28326 
1 1 1    3    9   72 o   97.731   5.8227   66.314   7.6674   74.669   10.881   58.072   10.806  103.990   7.7212   91.473   8.7178 12.51684 11.64549 
1 1 1    3    9   73 o   97.761   5.7410   66.283   7.6038   67.793   10.740   64.765   10.767   98.906   8.0129   96.615   8.2238 2.291519 11.48200 
1 1 1    3    9   74 o   74.688   9.2868   46.655   8.2430   25.673   13.685   58.601   10.326   57.612   16.614   91.763   8.3041 -34.15117 18.57360 
1 1 1    3    9   75 o   85.514   7.8280   53.294   8.5701   48.337   14.285   56.081   10.712   81.556   12.925   89.473   8.8349 -7.916969 15.65597 
1 1 1    3    9   76 o   98.011   6.9642   66.260   8.9079   75.048   15.097   61.566   11.033  102.380   10.882   93.643   8.6945 8.737724 13.92847 
1 1 1    3    9   77 o   54.936   10.126   24.124   7.4625   20.107   12.906   26.142   9.1467   50.769   16.436   59.104   11.833 -8.334335 20.25203 
1 1 1    3    9   78 o   60.157   9.5351   25.461   7.3681   38.752   12.725   18.757   9.0372   71.007   13.721   49.307   13.244 21.69999 19.07010 
1 1 1    3    9   79 o   93.499   7.4520   64.861   8.9190   57.580   14.734   69.072   11.205   88.143   12.336   98.856   8.3643 -10.71338 14.90392 
1 1 1    3    9   80 f   81.748   8.3128   50.826   8.5134   45.780   13.890   53.862   10.774   76.700   13.875   86.796   9.1602 -10.09583 16.62569 
1 1 1    3    9   81 o   39.965   10.964   10.376   8.5252   12.165   11.326   8.0365   12.949   41.260   15.273   38.670   15.736 2.590393 21.92881 
1 1 1    3    9   82 o   92.393   8.7097   63.828   10.865   57.815   14.682   71.107   16.154   87.577   12.371   97.209   12.263 -9.632256 17.41931 
1 1 1    3    9   83 o   79.048   9.9174   48.989   10.277   47.605   13.545   50.866   15.776   79.075   12.640   79.021   15.285 0.5378723E-01 19.83479 
1 1 1    3    9   84 o   73.266   13.806   42.826   13.204   42.826   13.204   0.0000   0.0000   73.266   13.806  ?   ?       ?      ? 
1 1 1    3    9   85 o   69.420   11.113   40.178   10.129   36.833   13.346   44.722   15.556   66.433   15.160   72.407   16.253 -5.973923 22.22531 
1 1 1    3    9   86 o   51.019   10.719   18.166   9.3222   2.3681   12.123   41.021   14.582   32.934   14.379   69.105   15.902 -36.17058 21.43831 
1 1 1    3    9   87 o   30.957   9.8625  -0.9453   8.6632  -2.5641   11.603   1.0938   13.023   29.195   13.301   32.718   14.566 -3.522818 19.72498 
1 1 1    3    9   88 f   47.360   17.618   20.834   15.109   0.0000   0.0000   20.834   15.109  ?   ?    47.360   17.618      ?      ? 
1 1 1    3    9   89 o   54.296   17.784   29.345   15.090   0.0000   0.0000   29.345   15.090  ?   ?    54.296   17.784      ?      ? 
1 1 1    3    9   90 o   78.095   11.174   55.848   11.609   41.418   16.103   71.463   16.752   64.032   17.876   92.159   13.414 -28.12724 22.34878 
1 1 1    3    9   91 o   41.744   11.280   13.869   10.093   28.970   14.426  -0.6112   14.127   52.374   17.399   31.114   14.360 21.26021 22.55965 
1 1 1    3    9   92 o   62.799   12.450   42.591   11.268   34.352   15.753   51.223   16.125   54.779   18.181   70.820   17.014 -16.04157 24.90070 
1 1 1    3   10    0 o  421.722   8.1465  1205.96   46.545  1236.69   66.704  1176.81   64.980  426.953   11.529  416.490   11.513 10.46243 16.29309 
1 1 1    3   10    1 o  379.117   7.6514  974.437   39.299  946.570   54.887  1003.75   56.293  373.557   10.843  384.677   10.799 -11.11914 15.30279 
1 1 1    3   10    2 o  421.177   5.7601  1202.80   32.873  1219.54   46.435  1185.98   46.543  424.117   8.0794  418.237   8.2121 5.880554 11.52020 
1 1 1    3   10    3 o  297.773   4.8492  601.265   19.561  615.039   27.543  587.246   27.786  301.217   6.7475  294.328   6.9665 6.888794 9.698486 
1 1 1    3   10    4 o  455.109   6.0437  1401.52   37.232  1343.14   51.200  1467.03   54.238  445.075   8.4890  465.144   8.6047 -20.06882 12.08733 
1 1 1    3   10    5 o  747.088   8.7833  3787.53   88.922  3794.65  125.573  3780.38  125.938  747.794   12.392  746.382   12.451 1.412415 17.56665 
1 1 1    3   10    6 o  520.089   6.6228  1828.02   46.590  1729.03   63.578  1942.82   68.470  504.939   9.2915  535.240   9.4400 -30.30029 13.24557 
1 1 1    3   10    7 o  359.365   5.2859  874.938   25.730  856.981   35.737  894.267   37.076  355.540   7.4172  363.189   7.5332 -7.649017 10.57188 
1 1 1    3   10    8 o  437.622   5.8972  1298.33   34.967  1286.74   48.932  1310.42   49.986  435.629   8.2889  439.615   8.3907 -3.985718 11.79442 
1 1 1    3   10    9 o  393.289   5.5467  1047.26   29.539  1012.11   40.804  1085.97   42.816  386.366   7.7934  400.213   7.8946 -13.84698 11.09331 
1 1 1    3   10   10 o  319.788   5.0166  693.268   21.736  692.437   30.448  694.131   31.039  319.595   7.0303  319.982   7.1581 -0.3875427 10.03310 
1 1 1    3   10   11 o  310.727   5.7197  642.800   20.592  632.128   23.538  677.614   42.511  305.386   5.6877  316.069   9.9253 -10.68237 11.43942 
1 1 1    3   10   12 o  436.500   6.8586  1303.81   35.084  1315.39   40.577  1269.49   69.831  440.493   6.7977  432.508   11.914 7.984985 13.71716 
1 1 1    3   10   13 o  332.233   5.9146  747.401   22.878  746.359   26.306  750.634   46.346  331.827   5.8501  332.640   10.281 -0.8123474 11.82922 
1 1 1    3   10   14 o  373.071   6.2572  945.042   27.269  946.133   31.426  941.717   54.859  373.595   6.2073  372.547   10.866 1.047882 12.51443 
1 1 1    3   10   15 o  313.044   5.7532  662.482   20.970  660.536   24.105  668.538   42.525  312.166   5.6982  313.922   9.9963 -1.756165 11.50634 
1 1 1    3   10   16 o  320.036   5.8530  705.393   21.975  716.547   25.474  672.958   43.441  325.128   5.7818  314.944   10.178 10.18365 11.70599 
1 1 1    3   10   17 o  532.652   7.8091  1930.00   48.740  1934.54   56.275  1916.36   97.503  534.123   7.7749  531.181   13.545 2.941589 15.61823 
1 1 1    3   10   18 o  788.568   10.663  4235.41   98.658  4244.59  113.992  4208.02  196.942  790.880   10.636  786.257   18.484 4.623047 21.32555 
1 1 1    3   10   19 o  1010.64   13.280  6886.00  156.081  6822.05  179.069  7088.22  318.418  1002.22   13.185  1019.07   23.057 -16.85779 26.56095 
1 1 1    3   10   20 o  691.316   9.5588  3262.90   77.677  3279.61   89.897  3213.66  154.311  695.273   9.5413  687.358   16.566 7.915588 19.11767 
1 1 1    3   10   21 o  423.999   7.1144  1191.54   38.061  1145.12   45.668  1297.11   68.871  410.898   8.2015  437.099   11.627 -26.20139 14.22874 
1 1 1    3   10   22 o  403.540   6.9232  1091.25   35.462  1066.65   42.931  1144.06   62.915  396.572   7.9885  410.508   11.310 -13.93588 13.84649 
1 1 1    3   10   23 o  206.405   5.4721  283.531   14.301  274.271   17.234  304.003   25.624  201.128   6.3233  211.681   8.9327 -10.55310 10.94427 
1 1 1    3   10   24 o  279.026   5.8589  528.242   20.778  528.433   25.322  527.848   36.349  279.160   6.6938  278.892   9.6177 0.2679138 11.71779 
1 1 1    3   10   25 o  312.668   6.1029  663.021   24.240  662.517   29.520  664.065   42.471  312.559   6.9696  312.777   10.020 -0.2182922 12.20579 
1 1 1    3   10   26 o  254.976   5.7873  447.724   18.769  461.179   23.073  421.401   32.272  260.784   6.5288  249.167   9.5576 11.61644 11.57467 
1 1 1    3   10   27 o  384.546   7.7680  1003.19   40.480   0.0000   0.0000  1003.19   40.480  ?   ?   384.546   7.7680      ?      ? 
1 1 1    3   10   28 o  264.335   4.6849  473.893   16.781  481.455   23.774  466.386   23.689  266.438   6.5846  262.232   6.6661 4.206024 9.369874 
1 1 1    3   10   30 o  251.393   5.6186  420.812   17.980  406.201   21.767  452.189   31.898  244.716   6.5638  258.069   9.1210 -13.35327 11.23728 
1 1 1    3   10   31 o  339.607   6.3130  785.916   27.404  791.653   33.645  774.607   47.237  341.576   7.2686  337.638   10.324 3.937592 12.62609 
1 1 1    3   10   32 o  126.947   4.6087  109.294   7.9242  104.407   11.110  114.355   11.306  124.057   6.6083  129.837   6.4259 -5.779808 9.217470 
1 1 1    3   10   33 f   88.447   5.2738   53.134   6.3161   54.531   8.8382   51.676   9.0295   89.640   7.2758   87.255   7.6365 2.385025 10.54765 
1 1 1    3   10   34 o  252.712   4.6434  432.722   15.882  464.537   22.888  403.177   22.056  261.664   6.4547  243.759   6.6770 17.90468 9.286893 
1 1 1    3   10   35 o  235.653   5.5811  378.338   16.936  372.958   28.753  381.197   20.957  234.287   9.0565  237.019   6.5248 -2.732269 11.16210 
1 1 1    3   10   36 o  320.591   6.2452  714.545   25.829  642.307   42.552  756.688   32.501  307.311   10.218  333.870   7.1836 -26.55939 12.49041 
1 1 1    3   10   37 o  189.193   5.4316  242.757   13.239  244.106   22.569  242.049   16.347  189.528   8.7872  188.859   6.3872 0.6692505 10.86325 
1 1 1    3   10   38 o  203.286   4.4970  280.434   12.383  291.875   17.623  269.275   17.404  207.386   6.2706  199.186   6.4477 8.199554 8.994072 
1 1 1    3   10   39 o  181.478   4.4836  223.527   11.023  231.160   15.661  216.033   15.518  184.553   6.2621  178.404   6.4186 6.148300 8.967250 
1 1 1    3   10   40 o  168.467   4.5044  192.633   10.283  190.534   14.466  194.776   14.620  167.540   6.3716  169.394   6.3688 -1.854813 9.008814 
1 1 1    3   10   41 o  119.311   4.8030   96.637   7.7645   94.326   10.891   99.027   11.072  117.860   6.8191  120.763   6.7659 -2.903030 9.606091 
1 1 1    3   10   42 o  154.284   4.5791  161.579   9.5557  148.454   13.356  175.342   13.677  147.858   6.6660  160.710   6.2800 -12.85255 9.158276 
1 1 1    3   10   43 o  166.098   5.6867  193.011   12.043  170.547   20.224  205.352   14.990  158.288   9.4285  173.908   6.3607 -15.61978 11.37347 
1 1 1    3   10   44 o  114.543   4.9669   89.188   7.6812   99.376   10.988   79.451   10.742  120.958   6.7036  108.129   7.3309 12.82949 9.933756 
1 1 1    3   10   45 o  299.553   4.9607  609.550   20.134  626.059   28.705  593.563   28.247  303.549   6.9783  295.558   7.0525 7.991638 9.921439 
1 1 1    3   10   47 o  170.027   4.6095  196.249   10.617  190.260   14.779  202.636   15.261  167.348   6.5170  172.705   6.5205 -5.357025 9.218918 
1 1 1    3   10   48 o  196.382   4.6083  262.114   12.259  269.205   17.299  254.959   17.376  199.059   6.4129  193.704   6.6197 5.355713 9.216561 
1 1 1    3   10   49 o  270.207   5.9567  497.560   20.545  498.479   25.157  495.721   35.599  270.802   6.8552  269.612   9.7435 1.189545 11.91346 
1 1 1    3   10   51 o  207.123   5.7166  291.299   15.129  289.728   18.510  294.459   26.257  206.450   6.6161  207.797   9.3244 -1.346909 11.43318 
1 1 1    3   10   52 o  214.893   4.6906  313.823   13.654  326.715   19.514  301.457   19.111  219.223   6.5686  210.564   6.6976 8.658264 9.381107 
1 1 1    3   10   53 o  149.912   4.8528  152.914   9.8544  149.536   14.032  156.201   13.843  148.268   6.9836  151.557   6.7400 -3.288483 9.705618 
1 1 1    3   10   54 o  164.691   4.8667  184.498   10.814  162.305   15.061  208.117   15.537  154.437   7.1963  174.944   6.5536 -20.50717 9.733316 
1 1 1    3   10   55 o  271.996   4.9203  503.309   18.134  496.281   25.464  510.541   25.832  270.069   6.9578  273.922   6.9590 -3.852325 9.840646 
1 1 1    3   10   56 o  118.430   5.1843   95.494   8.3196   95.833   11.846   95.165   11.687  118.634   7.3684  118.226   7.2948 0.4083939 10.36857 
1 1 1    3   10   57 o   84.143   8.0539   51.536   8.1415   43.024   14.134   55.763   9.9598   77.854   13.907   90.432   8.1273 -12.57828 16.10787 
1 1 1    3   10   58 o   90.257   8.4147   56.056   10.280   54.244   14.736   57.774   14.348   88.797   12.246   91.718   11.544 -2.920631 16.82948 
1 1 1    3   10   59 o   79.816   8.7745   46.044   8.2841   41.099   15.077   48.182   9.9148   75.653   15.234   83.979   8.7123 -8.325943 17.54897 
1 1 1    3   10   60 o  169.913   5.9399  197.135   12.807  197.577   22.471  196.922   15.587  169.807   9.7653  170.019   6.7652 -0.2124939 11.87974 
1 1 1    3   10   61 o  129.221   5.2101  113.955   9.1202  112.956   13.040  114.910   12.761  128.653   7.4794  129.788   7.2553 -1.135391 10.42021 
1 1 1    3   10   62 o  211.185   4.8147  304.093   13.773  291.848   19.319  316.749   19.641  206.846   6.8921  215.524   6.7250 -8.678131 9.629496 
1 1 1    3   10   63 o   90.223   6.1604   56.016   7.4969   50.254   10.664   61.644   10.541   85.559   9.1980   94.887   8.1976 -9.328445 12.32086 
1 1 1    3   10   64 o  156.650   4.9328  167.711   10.458  157.135   14.711  178.520   14.871  151.620   7.1596  161.679   6.7874 -10.05963 9.865571 
1 1 1    3   10   65 o   88.678   7.3881   51.890   8.4773   46.579   10.331   62.833   14.831   82.245   9.2699   95.111   11.507 -12.86668 14.77611 
1 1 1    3   10   66 o   52.461   9.5169   21.798   7.6310   30.091   9.3300   5.0397   13.263   65.891   10.449   39.031   15.909 26.85950 19.03371 
1 1 1    3   10   67 o  128.936   5.1326  113.998   8.9602  120.517   12.782  107.700   12.564  132.590   7.1139  125.281   7.4004 7.308578 10.26517 
1 1 1    3   10   68 o   82.376   7.7296   48.597   8.1154   51.389   10.099   43.507   13.636   86.263   8.6389   78.488   12.820 7.774696 15.45911 
1 1 1    3   10   69 o  102.857   6.6798   71.582   8.9521   66.869   11.067   80.503   15.225   98.379   8.3016  107.334   10.467 -8.955544 13.35966 
1 1 1    3   10   70 o   63.597   7.8265   29.051   6.5457   25.160   9.3091   32.855   9.2059   58.617   12.120   68.577   9.9061 -9.959854 15.65294 
1 1 1    3   10   71 o  105.848   5.5813   77.544   8.0035   80.129   11.424   75.053   11.216  107.596   7.8349  104.100   7.9509 3.496414 11.16256 
1 1 1    3   10   72 o  101.991   5.6906   72.255   7.8626   71.993   11.247   72.505   10.996  101.777   8.1544  102.204   7.9396 -0.4278030 11.38119 
1 1 1    3   10   73 o   88.195   6.3753   55.020   7.4833   43.243   10.531   67.031   10.635   78.258   9.9306   98.132   7.9977 -19.87423 12.75062 
1 1 1    3   10   74 o   99.621   8.6917   69.632   11.734   0.0000   0.0000   69.632   11.734  ?   ?    99.621   8.6917      ?      ? 
1 1 1    3   10   75 f   47.478   10.835   14.225   9.3776  -1.3352   13.202   30.069   13.322   33.349   14.765   61.607   15.863 -28.25793 21.67088 
1 1 1    3   10   76 o   89.658   7.7060   59.391   8.6982   54.065   14.954   62.115   10.693   85.414   12.920   93.903   8.4033 -8.488487 15.41199 
1 1 1    3   10   77 o   65.988   9.2149   31.539   7.6983   41.210   13.065   26.395   9.5281   73.108   13.690   58.868   12.338 14.23985 18.42986 
1 1 1    3   10   78 o   46.022   10.236   16.717   7.0816   14.476   11.648   18.030   8.9193   43.967   15.596   48.077   13.260 -4.109539 20.47108 
1 1 1    3   10   79 o  107.524   8.1152   85.325   11.752   84.696   15.772   86.111   17.621  107.574   10.819  107.475   12.098 0.9916687E-01 16.23047 
1 1 1    3   10   80 o   68.135   10.880   37.280   9.7991   31.092   13.084   45.185   14.788   61.402   15.672   74.869   15.096 -13.46723 21.76034 
1 1 1    3   10   81 o   30.385   9.6226  -2.8054   8.1097  -7.0571   10.591   3.2206   12.609   26.150   12.193   34.620   14.890 -8.469946 19.24510 
1 1 1    3   10   82 o   67.608   11.049   36.855   9.9312   28.006   12.976   49.367   15.430   57.506   16.044   77.710   15.197 -20.20436 22.09837 
1 1 1    3   10   83 o   54.725   12.075   25.222   9.7334   21.023   12.359   32.081   15.794   49.770   16.081   59.680   18.018 -9.910076 24.15013 
1 1 1    3   10   84 o   42.542   15.450   14.414   11.506   14.414   11.506   0.0000   0.0000   42.542   15.450  ?   ?       ?      ? 
1 1 1    3   10   85 o   37.827   10.478   3.9935   8.8219  -8.8841   11.565   21.916   13.643   26.139   12.361   49.515   16.922 -23.37606 20.95574 
1 1 1    3   10   86 o   46.587   10.968   13.833   9.6243  -2.3930   12.611   36.464   14.894   30.237   13.811   62.937   17.043 -32.69981 21.93647 
1 1 1    3   10   87 o   37.660   10.879   8.7568   9.2856   16.206   12.790   0.4545   13.502   43.061   16.172   32.259   14.557 10.80267 21.75896 
1 1 1    3   10   88 o   35.084   15.157   6.4329   13.185   0.0000   0.0000   6.4329   13.185  ?   ?    35.084   15.157      ?      ? 
1 1 1    3   10   89 o   41.620   16.330   16.110   13.438   0.0000   0.0000   16.110   13.438  ?   ?    41.620   16.330      ?      ? 
1 1 1    3   10   90 o   42.221   10.707   12.230   9.5772  -6.2190   13.074   33.594   14.069   27.559   13.064   56.882   16.967 -29.32351 21.41402 
1 1 1    3   11    0 o  268.955   5.7604  476.854   19.643  453.607   23.625  528.928   35.358  258.666   6.7398  279.243   9.3438 -20.57764 11.52089 
1 1 1    3   11    1 o  544.550   6.8770  2008.31   50.700  1936.57   69.866  2088.11   73.688  534.299   9.6493  554.800   9.8012 -20.50073 13.75402 
1 1 1    3   11    2 o  555.651   6.9689  2093.95   52.463  2066.84   73.268  2122.48   75.156  551.966   9.7954  559.336   9.9154 -7.370544 13.93789 
1 1 1    3   11    3 o  243.864   4.6925  403.431   15.497  413.408   21.713  393.071   22.126  246.942   6.4884  240.786   6.7809 6.156418 9.385043 
1 1 1    3   11    4 o  536.598   6.8061  1952.92   49.485  1997.06   70.503  1910.06   69.473  542.576   9.5888  530.620   9.6616 11.95538 13.61220 
1 1 1    3   11    5 o  626.606   7.6399  2663.11   64.853  2612.30   90.352  2717.11   93.144  620.448   10.746  632.763   10.863 -12.31427 15.27986 
1 1 1    3   11    6 o  500.830   6.4858  1701.13   44.011  1685.27   61.558  1717.70   62.947  498.447   9.1135  503.212   9.2308 -4.765869 12.97163 
1 1 1    3   11    7 o  450.375   6.0534  1373.07   36.907  1317.42   50.800  1435.28   53.709  440.731   8.5056  460.018   8.6158 -19.28659 12.10685 
1 1 1    3   11    8 o  531.176   6.7522  1914.14   48.602  1929.25   68.750  1899.04   68.717  533.274   9.5135  529.078   9.5844 4.195557 13.50434 
1 1 1    3   11    9 f  346.563   5.2646  813.753   24.713  793.523   34.300  835.591   35.637  342.090   7.3989  351.037   7.4915 -8.947327 10.52928 
1 1 1    3   11   10 o  477.384   6.2951  1545.77   40.720  1540.36   57.162  1551.35   58.022  476.538   8.8518  478.229   8.9531 -1.690216 12.59013 
1 1 1    3   11   11 o  744.785   8.7992  3766.63   88.808  3797.66  125.923  3735.92  125.266  747.840   12.426  741.731   12.462 6.108826 17.59845 
1 1 1    3   11   12 o  426.160   6.7820  1219.91   33.558  1208.58   38.464  1256.02   68.667  422.201   6.7229  430.119   11.781 -7.917969 13.56406 
1 1 1    3   11   13 o  356.687   6.2068  869.526   25.886  875.992   29.894  850.149   51.752  359.461   6.1369  353.913   10.791 5.548401 12.41366 
1 1 1    3   11   14 o  543.001   7.9710  2006.59   50.671  2011.46   58.481  1991.94  101.491  544.592   7.9243  541.411   13.833 3.180908 15.94201 
1 1 1    3   11   15 o  602.463   9.1325  2477.55   70.373  2501.92   86.515  2429.90  120.983  607.129   10.515  597.798   14.934 9.331482 18.26505 
1 1 1    3   11   16 o  447.627   7.4481  1366.37   42.536  1378.93   52.150  1341.40   73.520  450.855   8.5356  444.400   12.208 6.454926 14.89622 
1 1 1    3   11   17 o  353.654   6.6108  864.478   29.908  899.459   37.085  799.394   50.584  364.172   7.5147  343.137   10.878 21.03439 13.22150 
1 1 1    3   11   18 o  516.998   7.6674  1805.74   46.230  1797.06   53.161  1832.70   93.636  514.732   7.6213  519.264   13.307 -4.532410 15.33471 
1 1 1    3   11   19 o  169.729   5.2487  193.326   10.394  191.368   11.938  199.460   21.128  168.015   5.2432  171.443   9.0941 -3.428024 10.49734 
1 1 1    3   11   20 o  238.215   5.3932  386.462   15.005  387.967   17.304  381.900   30.130  239.222   5.3377  237.208   9.3731 2.014267 10.78638 
1 1 1    3   11   21 o  390.070   6.5006  1050.65   29.833  1069.58   34.657  996.479   58.619  397.144   6.4396  382.996   11.294 14.14789 13.00120 
1 1 1    3   11   22 o  331.584   6.0265  758.727   23.471  771.871   27.237  720.815   46.258  337.389   5.9573  325.780   10.478 11.60883 12.05307 
1 1 1    3   11   23 f  275.299   5.5746  510.235   17.915  506.397   20.596  522.166   36.314  273.286   5.5613  277.313   9.6633 -4.026672 11.14929 
1 1 1    3   11   24 o  307.996   5.7464  630.656   20.591  618.630   23.570  669.419   42.315  302.042   5.7584  313.951   9.9461 -11.90826 11.49279 
1 1 1    3   11   25 o  263.790   5.5128  471.847   19.707  471.847   19.707   0.0000   0.0000  263.790   5.5128  ?   ?       ?      ? 
1 1 1    3   11   26 o  247.316   5.4043  414.759   18.112  414.759   18.112   0.0000   0.0000  247.316   5.4043  ?   ?       ?      ? 
1 1 1    3   11   27 o  298.336   5.7931  613.432   20.233  622.846   23.429  585.822   40.125  303.051   5.7051  293.621   10.084 9.430176 11.58621 
1 1 1    3   11   28 o  290.760   5.7218  575.797   19.570  577.697   22.646  570.193   38.893  291.852   5.7259  289.669   9.9080 2.182404 11.44355 
1 1 1    3   11   30 o  330.464   7.2674  741.240   32.545   0.0000   0.0000  741.240   32.545  ?   ?   330.464   7.2674      ?      ? 
1 1 1    3   11   31 o  262.495   5.6723  464.942   19.156  477.344   32.914  458.590   23.557  265.036   9.1643  259.955   6.6871 5.081055 11.34466 
1 1 1    3   11   32 o  180.589   5.5757  231.259   12.871  188.057   20.916  257.589   16.329  166.335   9.2793  194.842   6.1843 -28.50728 11.15131 
1 1 1    3   11   33 o  136.541   5.3976  124.559   9.5842  133.768   16.247  119.644   11.869  140.310   8.5450  132.772   6.5968 7.538361 10.79512 
1 1 1    3   11   34 o  223.978   4.5776  340.489   13.893  345.698   19.677  335.312   19.618  225.689   6.4338  222.268   6.5132 3.420807 9.155102 
1 1 1    3   11   35 o  318.879   5.0563  690.432   21.849  698.950   31.008  682.034   30.790  320.834   7.1321  316.924   7.1691 3.909546 10.11254 
1 1 1    3   11   36 o  265.469   4.7538  478.466   17.101  479.707   24.152  477.217   24.219  265.815   6.7048  265.122   6.7410 0.6936340 9.507623 
1 1 1    3   11   37 o  296.400   4.9490  596.579   19.876  608.172   28.224  585.172   27.996  299.261   6.9597  293.540   7.0379 5.720642 9.898005 
1 1 1    3   11   39 o  249.585   5.8680  429.633   18.709  404.893   31.897  442.608   23.100  243.876   9.6516  255.295   6.6770 -11.41927 11.73608 
1 1 1    3   11   40 o  303.944   6.1290  623.357   23.757  643.471   41.602  613.624   28.940  307.355   9.9883  300.534   7.1059 6.821259 12.25804 
1 1 1    3   11   41 o  280.470   4.8659  534.338   18.493  529.369   25.959  539.457   26.350  279.149   6.8623  281.792   6.9004 -2.643097 9.731739 
1 1 1    3   11   42 o  201.005   4.5931  274.402   12.510  270.623   17.607  278.256   17.780  199.606   6.5091  202.403   6.4822 -2.797531 9.186268 
1 1 1    3   11   43 o  240.589   6.6763  393.255   21.767   0.0000   0.0000  393.255   21.767  ?   ?   240.589   6.6763      ?      ? 
1 1 1    3   11   45 f  262.292   4.8194  467.548   17.126  481.600   24.331  453.750   24.110  266.206   6.7445  258.378   6.8860 7.827942 9.638753 
1 1 1    3   11   46 o  149.820   5.8197  154.041   11.117  156.573   13.649  149.052   19.160  151.784   6.6357  147.855   9.5627 3.929535 11.63944 
1 1 1    3   11   47 f   95.932   5.6588   62.561   7.3036   52.878   10.089   73.224   10.587   88.116   8.4487  103.747   7.5304 -15.63047 11.31759 
1 1 1    3   11   48 o   95.040   6.7795   61.735   8.2573   61.979   10.159   61.259   14.176   95.423   7.8559   94.656   11.051 0.7668915 13.55908 
1 1 1    3   11   49 o  158.181   5.8019  170.443   11.696  170.498   14.294  170.331   20.345  158.359   6.6609  158.003   9.5017 0.3556366 11.60383 
1 1 1    3   11   50 o  172.816   6.7269  203.091   15.754   0.0000   0.0000  203.091   15.754  ?   ?   172.816   6.7269      ?      ? 
1 1 1    3   11   51 o  138.223   5.0171  130.102   9.3673  117.002   13.133  143.666   13.364  131.111   7.3919  145.336   6.7856 -14.22540 10.03419 
1 1 1    3   11   52 o  201.102   4.7628  275.090   12.978  269.293   18.304  280.951   18.404  198.965   6.7886  203.238   6.6821 -4.273331 9.525553 
1 1 1    3   11   53 o  144.326   4.9805  141.969   9.7233  132.700   13.791  151.130   13.711  139.613   7.2896  149.040   6.7884 -9.427155 9.960958 
1 1 1    3   11   54 o  188.293   6.7832  242.606   17.285  229.992   24.580  254.945   24.310  183.394   9.8904  193.191   9.2858 -9.796997 13.56639 
1 1 1    3   11   55 o  149.509   5.0509  152.266   10.215  151.589   14.887  152.868   14.041  149.171   7.3643  149.847   6.9148 -0.6756134 10.10186 
1 1 1    3   11   56 o  257.080   6.1565  457.948   20.093  432.228   34.670  470.956   24.656  251.187   10.185  262.973   6.9188 -11.78587 12.31304 
1 1 1    3   11   57 o  231.289   6.1049  367.456   17.823  360.215   31.408  370.895   21.645  229.238   10.111  233.341   6.8452 -4.103409 12.20987 
1 1 1    3   11   58 o  177.053   4.8939  213.688   11.738  212.407   16.783  214.914   16.424  176.519   7.0163  177.587   6.8245 -1.067810 9.787846 
1 1 1    3   11   59 o  163.681   4.9210  182.887   10.902  172.826   15.447  192.871   15.388  159.160   7.1617  168.201   6.7509 -9.040894 9.841974 
1 1 1    3   11   60 o  164.210   6.8700  183.978   15.288   0.0000   0.0000  183.978   15.288  ?   ?   164.210   6.8700      ?      ? 
1 1 1    3   11   61 o  139.576   5.0931  133.212   9.6253  128.406   13.705  137.892   13.522  137.060   7.3787  142.091   7.0223 -5.030945 10.18613 
1 1 1    3   11   62 o  139.420   5.1668  132.835   9.7536  125.404   13.591  140.728   14.006  135.384   7.4081  143.456   7.2045 -8.071167 10.33362 
1 1 1    3   11   63 o  163.944   6.0250  182.565   12.749  177.834   15.697  191.731   21.850  161.192   7.1862  166.696   9.6726 -5.503860 12.04992 
1 1 1    3   11   64 o  280.464   5.0933  538.955   19.357  537.834   27.464  540.063   27.288  280.160   7.2338  280.767   7.1720 -0.6065979 10.18657 
1 1 1    3   11   65 o  121.982   5.4176  102.899   8.8742   87.662   12.603  117.883   12.498  112.834   8.2423  131.130   7.0331 -18.29625 10.83514 
1 1 1    3   11   66 o  111.591   5.4709   85.665   8.2700   87.074   11.893   84.345   11.508  112.464   7.8036  110.717   7.6699 1.746620 10.94180 
1 1 1    3   11   67 o   77.912   6.6824   42.236   7.0125   36.487   9.7833   48.311   10.057   72.340   9.9798   83.484   8.8894 -11.14411 13.36481 
1 1 1    3   11   68 f   59.801   9.5083   26.609   7.2992   26.988   9.1372   25.940   12.134   60.943   11.485   58.659   15.157 2.283653 19.01657 
1 1 1    3   11   69 o   50.452   8.2681   17.826   6.0176   29.421   8.9544   8.2766   8.1261   64.708   10.212   36.196   13.006 28.51264 16.53612 
1 1 1    3   11   70 o  109.193   5.5939   82.984   8.2537   78.086   11.872   87.566   11.483  105.945   8.2688  112.441   7.5362 -6.495476 11.18783 
1 1 1    3   11   71 o  136.493   6.4107  128.598   11.068  136.637   19.761  124.923   13.360  138.751   10.510  134.236   7.3443 4.515182 12.82148 
1 1 1    3   11   72 o   65.263   9.5541   31.129   7.7349   35.692   13.735   29.011   9.3604   67.814   15.309   62.712   11.436 5.101974 19.10829 
1 1 1    3   11   73 o  108.345   7.7583   82.010   11.391   0.0000   0.0000   82.010   11.391  ?   ?   108.345   7.7583      ?      ? 
1 1 1    3   11   74 o   85.551   8.7992   51.745   10.201   0.0000   0.0000   51.745   10.201  ?   ?    85.551   8.7992      ?      ? 
1 1 1    3   11   75 o   51.585   10.453   20.410   7.4147   23.582   12.606   18.732   9.1685   54.062   16.046   49.108   13.403 4.954372 20.90691 
1 1 1    3   11   76 o  144.037   7.4744  150.524   14.578  146.727   20.154  154.690   21.113  142.238   10.456  145.836   10.683 -3.598114 14.94874 
1 1 1    3   11   77 o   55.172   11.335   24.097   9.3410   15.133   12.532   35.304   14.012   44.708   16.141   65.636   15.918 -20.92728 22.66953 
1 1 1    3   11   78 o   30.170   9.6176  -2.6120   8.2973  -1.2771   11.143  -4.2733   12.431   30.230   13.465   30.109   13.737 0.1216240 19.23512 
1 1 1    3   11   79 o   51.823   11.235   18.849   9.4859   6.2074   12.196   38.208   15.092   36.401   15.089   67.245   16.650 -30.84398 22.47029 
1 1 1    3   11   80 o   50.403   11.768   20.450   9.4132   14.603   12.358   28.531   14.529   43.535   15.981   57.271   17.278 -13.73604 23.53563 
1 1 1    3   11   81 o   45.062   11.641   15.622   9.2210   11.666   12.084   21.137   14.267   40.469   15.594   49.655   17.289 -9.186035 23.28267 
1 1 1    3   11   82 o   67.865   11.404   38.673   10.238   33.435   13.340   46.179   15.970   62.548   15.748   73.181   16.498 -10.63279 22.80758 
1 1 1    3   11   83 o   46.125   15.919   18.179   12.083   18.179   12.083   0.0000   0.0000   46.125   15.919  ?   ?       ?      ? 
1 1 1    3   11   84 o   47.766   16.084   20.242   12.323   20.242   12.323   0.0000   0.0000   47.766   16.084  ?   ?       ?      ? 
1 1 1    3   11   85 o   42.531   11.383   15.142   9.2811   20.305   12.839   9.4915   13.431   47.127   16.401   37.935   15.789 9.191547 22.76613 
1 1 1    3   11   86 o   35.774   10.617   6.9157   8.9688   0.4940   12.544   13.632   12.828   31.157   14.048   40.391   15.922 -9.234596 21.23325 
1 1 1    3   11   87 o   28.066   9.2696  -4.6640   8.7347  -2.1707   12.410  -7.1117   12.296   29.253   13.486   26.879   12.721 2.374777 18.53917 
1 1 1    3   11   88 o   33.544   14.846   5.3035   13.334   0.0000   0.0000   5.3035   13.334  ?   ?    33.544   14.846      ?      ? 
1 1 1    3   11   89 f   44.581   11.968   21.552   10.029   18.157   13.959   25.175   14.418   41.729   16.557   47.433   17.285 -5.704731 23.93531 
1 1 1    3   12    0 o  365.660   6.6703  894.235   30.658  873.153   36.789  942.160   55.466  358.806   7.5661  372.515   10.988 -13.70978 13.34066 
1 1 1    3   12    1 o  301.667   6.1553  600.446   23.206  575.303   27.606  660.999   42.842  291.267   6.9942  312.066   10.131 -20.79865 12.31064 
1 1 1    3   12    2 o  508.876   8.0869  1732.63   51.792  1690.43   62.205  1827.99   93.506  499.124   9.1968  518.628   13.305 -19.50348 16.17386 
1 1 1    3   12    3 o  434.597   7.3133  1259.71   39.964  1223.76   47.918  1341.86   72.434  424.730   8.3253  444.464   12.026 -19.73428 14.62656 
1 1 1    3   12    4 o  209.078   6.5795  297.267   18.553  303.676   25.200  289.681   27.416  211.561   8.7897  206.595   9.7928 4.965912 13.15891 
1 1 1    3   12    5 o  221.850   6.5289  334.397   19.601  344.536   27.291  323.595   28.171  225.338   8.9371  218.362   9.5202 6.976135 13.05781 
1 1 1    3   12    6 o  378.405   5.5343  971.211   28.369  968.809   39.574  973.750   40.689  377.929   7.7271  378.881   7.9249 -0.9520569 11.06853 
1 1 1    3   12    7 o  426.314   5.8818  1232.72   33.973  1220.34   47.483  1245.70   48.627  424.125   8.2615  428.503   8.3742 -4.378265 11.76354 
1 1 1    3   12    8 f  225.117   5.6896  347.326   16.607  331.350   27.540  356.456   20.818  220.966   9.1973  229.269   6.7007 -8.302887 11.37929 
1 1 1    3   12    9 o  203.500   5.6541  281.680   14.901  278.403   25.011  283.484   18.553  202.543   9.1123  204.457   6.6963 -1.914169 11.30813 
1 1 1    3   12   10 o  338.258   6.3954  776.865   27.899  775.300   47.367  777.696   34.522  337.914   10.344  338.602   7.5236 -0.6874695 12.79071 
1 1 1    3   12   11 o  285.592   4.9564  550.433   19.134  510.425   26.004  597.666   28.255  274.332   6.9950  296.851   7.0239 -22.51880 9.912837 
1 1 1    3   12   12 o  324.185   6.0331  719.535   22.677  725.588   26.090  700.838   45.856  327.125   5.8855  321.245   10.534 5.880005 12.06627 
1 1 1    3   12   13 o  398.162   6.6201  1085.41   30.718  1094.46   35.428  1058.02   61.657  401.724   6.5079  394.600   11.530 7.123383 13.24013 
1 1 1    3   12   14 o  238.555   5.4677  382.259   15.049  378.833   17.200  393.445   31.077  236.380   5.3697  240.732   9.5262 -4.352081 10.93533 
1 1 1    3   12   15 o  156.839   5.5292  170.813   9.9762  174.474   11.477  159.494   20.181  160.417   5.2794  153.260   9.7168 7.156967 11.05840 
1 1 1    3   12   16 o  359.442   6.2917  886.779   26.348  896.343   30.404  857.928   52.805  363.552   6.1713  355.332   10.966 8.219543 12.58346 
1 1 1    3   12   17 o  225.199   5.4941  351.093   14.325  357.807   16.517  330.714   28.776  229.720   5.3058  220.678   9.6224 9.042313 10.98827 
1 1 1    3   12   18 o  286.829   5.7772  568.832   19.305  579.251   22.321  537.895   38.463  292.268   5.6356  281.391   10.087 10.87720 11.55440 
1 1 1    3   12   19 o  220.167   5.4074  326.670   13.800  324.573   15.816  333.359   28.244  218.784   5.3345  221.549   9.4076 -2.764969 10.81480 
1 1 1    3   12   20 f  260.621   5.5165  460.612   19.483  460.612   19.483   0.0000   0.0000  260.621   5.5165  ?   ?       ?      ? 
1 1 1    3   12   21 o  257.070   5.4807  448.159   19.093  448.159   19.093   0.0000   0.0000  257.070   5.4807  ?   ?       ?      ? 
1 1 1    3   12   22 o  231.063   5.5382  369.907   14.850  377.237   17.145  347.890   29.715  235.854   5.3644  226.272   9.6907 9.581802 11.07640 
1 1 1    3   12   23 o  128.652   5.9002  111.466   9.7035  109.651   11.846  115.168   16.918  127.118   6.8765  130.185   9.5898 -3.066948 11.80048 
1 1 1    3   12   24 o  221.240   5.7738  338.768   16.252  352.023   20.037  313.279   27.786  227.777   6.4915  214.704   9.5502 13.07231 11.54750 
1 1 1    3   12   25 o  215.092   5.6625  312.605   15.491  309.692   18.849  318.668   27.193  213.635   6.5107  216.548   9.2665 -2.912704 11.32500 
1 1 1    3   12   26 f  158.544   5.6553  166.949   11.416  160.178   13.809  181.571   20.293  153.633   6.6327  163.454   9.1616 -9.821793 11.31056 
1 1 1    3   12   27 o  210.865   5.7334  305.512   15.365  312.425   18.836  291.764   26.562  214.564   6.4782  207.165   9.4616 7.399292 11.46686 
1 1 1    3   12   28 o  197.338   5.4676  269.556   12.579  274.658   14.551  254.468   25.022  201.224   5.3361  193.452   9.5448 7.772034 10.93514 
1 1 1    3   12   29 o  385.388   6.4792  1002.70   29.062  996.035   33.374  1023.62   59.111  383.088   6.4287  387.689   11.251 -4.601227 12.95840 
1 1 1    3   12   30 o  393.072   7.0211  1067.57   35.479  1105.90   44.170  997.861   59.564  403.446   8.0790  382.698   11.485 20.74792 14.04220 
1 1 1    3   12   31 o  260.027   6.0616  471.766   20.210  501.155   25.288  419.811   33.623  271.682   6.8687  248.372   9.9896 23.31010 12.12318 
1 1 1    3   12   32 o  279.684   6.0781  540.389   21.595  557.629   26.533  506.556   37.169  286.573   6.8323  272.796   10.055 13.77621 12.15622 
1 1 1    3   12   34 o  389.100   5.6070  1027.66   29.544  1079.40   42.628  979.841   40.984  398.516   7.8935  379.683   7.9655 18.83356 11.21408 
1 1 1    3   12   35 o   98.215   7.1768   70.531   8.5151   54.344   15.079   78.109   10.318   89.200   12.474  107.229   7.1005 -18.02847 14.35365 
1 1 1    3   12   36 o  203.617   5.6259  279.484   14.572  288.780   25.652  275.056   17.706  205.980   9.1900  201.254   6.4922 4.726715 11.25184 
1 1 1    3   12   37 o  275.886   6.9043  517.089   25.813   0.0000   0.0000  517.089   25.813  ?   ?   275.886   6.9043      ?      ? 
1 1 1    3   12   38 o  267.712   4.8248  486.520   17.490  514.356   25.099  460.241   24.386  275.160   6.7310  260.264   6.9143 14.89545 9.649558 
1 1 1    3   12   39 o   40.892   8.7229   11.134   5.4012   15.604   7.8302   7.0755   7.4601   46.915   12.201   34.869   12.469 12.04652 17.44575 
1 1 1    3   12   40 o   98.189   5.2790   65.609   6.9797   75.548   10.027   56.264   9.7218  105.430   7.0179   90.948   7.8881 14.48199 10.55808 
1 1 1    3   12   41 o  120.817   4.9160   99.097   8.0302  108.788   11.567   90.079   11.157  126.523   6.7461  115.110   7.1526 11.41369 9.832053 
1 1 1    3   12   42 o  116.817   6.0307   91.085   9.0231   87.524   10.983   98.479   15.827  113.459   7.1432  120.174   9.7186 -6.715195 12.06136 
1 1 1    3   12   43 o  117.515   6.0172   89.233   9.0672   80.278   10.937  108.921   16.216  108.638   7.4288  126.391   9.4679 -17.75349 12.03444 
1 1 1    3   12   44 o   94.583   5.5634   60.935   7.1178   65.507   10.107   56.437   10.025   98.119   7.6016   91.046   8.1254 7.072937 11.12682 
1 1 1    3   12   45 o   93.002   5.6061   58.879   7.0647   59.970   10.036   57.807   9.9464   93.858   7.8908   92.146   7.9654 1.712212 11.21210 
1 1 1    3   12   46 o   83.936   7.4090   47.720   7.9911   46.824   9.8052   49.490   13.790   82.884   8.7298   84.989   11.973 -2.105286 14.81801 
1 1 1    3   12   47 o  171.124   5.8016  192.029   12.703  178.234   15.351  221.991   22.623  161.867   6.9984  180.381   9.2550 -18.51338 11.60318 
1 1 1    3   12   48 o  109.554   5.5435   82.273   8.1582   70.217   11.585   94.132   11.490  101.498   8.4229  117.611   7.2093 -16.11305 11.08696 
1 1 1    3   12   49 o  167.529   5.9133  192.302   12.705  194.420   15.671  188.240   21.703  169.049   6.8408  166.009   9.6473 3.040085 11.82657 
1 1 1    3   12   50 o  198.973   6.6536  270.318   17.934  280.785   25.582  260.202   25.149  202.776   9.3096  195.169   9.5087 7.606476 13.30730 
1 1 1    3   12   51 o  100.046   5.7177   69.135   7.6202   55.163   10.860   82.686   10.695   89.891   8.9150  110.201   7.1617 -20.30998 11.43536 
1 1 1    3   12   52 o   99.822   5.5995   67.754   7.5494   75.945   10.967   60.376   10.408  105.561   7.6666   94.084   8.1634 11.47691 11.19898 
1 1 1    3   12   53 o  105.899   5.6323   76.722   8.0435   73.924   11.848   79.114   10.955  104.063   8.4014  107.735   7.5037 -3.671928 11.26453 
1 1 1    3   12   54 o  121.950   7.2021  101.359   11.902   0.0000   0.0000  101.359   11.902  ?   ?   121.950   7.2021      ?      ? 
1 1 1    3   12   55 o  166.707   6.2216  197.555   12.924  170.013   22.462  211.184   15.801  157.340   10.535  176.074   6.6224 -18.73325 12.44324 
1 1 1    3   12   56 o  106.332   5.5992   77.057   8.0546   80.423   11.814   74.133   11.010  108.483   8.0363  104.180   7.7987 4.303108 11.19831 
1 1 1    3   12   57 o  172.784   4.8624  203.403   11.377  210.474   16.484  196.971   15.721  175.639   6.9254  169.929   6.8271 5.710632 9.724772 
1 1 1    3   12   58 o  145.409   4.9833  144.154   9.8114  151.963   14.192  137.005   13.579  149.179   7.0202  141.639   7.0748 7.540756 9.966687 
1 1 1    3   12   59 o   69.589   8.9678   34.325   7.8259   34.365   9.6471   34.249   13.384   70.599   10.084   68.579   14.833 2.019455 17.93567 
1 1 1    3   12   60 o   90.338   7.1725   52.365   8.4452   41.940   10.365   72.958   14.567   77.968   9.8098  102.707   10.466 -24.73925 14.34491 
1 1 1    3   12   61 o  111.137   5.4990   84.287   8.2571   93.617   12.160   76.305   11.248  116.830   7.6809  105.444   7.8714 11.38596 10.99800 
1 1 1    3   12   62 o  109.503   5.4348   82.378   8.0592   81.242   11.565   83.451   11.237  108.737   7.8487  110.268   7.5198 -1.531044 10.86966 
1 1 1    3   12   63 o   90.608   6.0041   56.304   7.2940   68.582   10.744   45.808   9.9340   99.819   7.9429   81.398   9.0059 18.42088 12.00813 
1 1 1    3   12   64 o  123.774   5.2403  105.673   8.7640   99.660   12.631  111.256   12.170  120.283   7.7488  127.266   7.0569 -6.982712 10.48064 
1 1 1    3   12   65 o   89.659   5.9723   55.607   7.2492   56.650   10.526   54.665   9.9984   90.426   8.5896   88.892   8.3002 1.534088 11.94463 
1 1 1    3   12   66 o  122.306   6.6499  109.721   10.275  123.349   12.968   86.740   16.840  133.781   7.1532  110.831   11.212 22.95004 13.29984 
1 1 1    3   12   67 o   83.195   8.2656   51.644   8.4598   56.173   10.598   43.687   14.046   89.805   8.7082   76.586   14.052 13.21850 16.53117 
1 1 1    3   12   68 o   95.102   7.0854   61.516   8.5704   70.426   15.383   57.505   10.320   99.361   11.425   90.842   8.3835 8.518639 14.17086 
1 1 1    3   12   69 o   71.478   8.6496   35.598   7.7073   42.969   13.792   32.251   9.2940   75.492   13.997   67.464   10.166 8.027725 17.29915 
1 1 1    3   12   70 o   61.558   9.7294   29.632   7.6176   25.053   13.499   31.772   9.2273   56.300   16.577   66.816   10.191 -10.51572 19.45889 
1 1 1    3   12   71 o  117.497   6.8927  103.136   10.066   83.851   17.109  113.349   12.449  107.391   11.756  127.604   7.1995 -20.21272 13.78543 
1 1 1    3   12   72 o   20.644   9.8285  -8.6945   7.5572   0.0000   0.0000  -8.6945   7.5572  ?   ?    20.644   9.8285      ?      ? 
1 1 1    3   12   73 o   54.643   16.868   24.407   13.743   0.0000   0.0000   24.407   13.743  ?   ?    54.643   16.868      ?      ? 
1 1 1    3   12   74 o   61.729   11.324   30.907   9.5240   28.123   12.807   34.351   14.245   58.753   15.760   64.706   16.264 -5.953037 22.64738 
1 1 1    3   12   75 o   63.497   10.960   32.646   9.4496   25.610   12.966   40.616   13.800   55.634   16.209   71.359   14.758 -15.72487 21.92082 
1 1 1    3   12   76 o   67.648   10.377   35.526   9.8828   17.389   13.151   59.055   14.979   46.797   16.575   88.499   12.490 -41.70270 20.75400 
1 1 1    3   12   77 o  101.137   8.4200   76.145   11.478   70.927   15.297   82.869   17.364   97.471   11.581  104.804   12.226 -7.333183 16.84003 
1 1 1    3   12   78 o   32.719   10.093   1.3870   8.5243   4.9356   10.949  -4.0746   13.583   34.142   14.237   31.296   14.310 2.845297 20.18559 
1 1 1    3   12   79 o   41.703   11.121   12.911   8.5032   12.117   11.226   13.981   13.024   40.502   15.163   42.904   16.273 -2.402431 22.24190 
1 1 1    3   12   80 o   37.617   10.460   8.4539   8.3612   14.953   11.075  -0.1594   12.750   43.080   15.215   32.155   14.356 10.92506 20.91920 
1 1 1    3   12   81 o   91.464   8.9567   64.501   11.020   56.716   14.589   74.843   16.815   85.156   12.643   97.773   12.691 -12.61683 17.91350 
1 1 1    3   12   82 o   39.558   11.380   8.9204   9.2190   3.7455   11.328   19.069   15.864   32.754   14.101   46.362   17.867 -13.60754 22.76088 
1 1 1    3   12   83 o   29.964   13.509  -0.6005   11.597  -0.6005   11.597   0.0000   0.0000   29.964   13.509  ?   ?       ?      ? 
1 1 1    3   12   84 o   46.427   11.411   19.637   9.5054   28.695   13.157   9.7465   13.748   55.072   16.403   37.782   15.868 17.28954 22.82255 
1 1 1    3   12   85 o   47.252   10.777   18.651   9.3583   2.5628   12.892   36.570   13.606   32.233   14.410   62.272   16.029 -30.03951 21.55402 
1 1 1    3   12   86 o   37.738   10.760   6.8577   9.4836  -7.1402   12.622   25.003   14.371   26.912   12.781   48.564   17.313 -21.65250 21.51921 
1 1 1    3   12   87 o   49.328   17.500   27.301   14.667   0.0000   0.0000   27.301   14.667  ?   ?    49.328   17.500      ?      ? 
1 1 1    3   13    0 o  294.376   6.0595  588.937   23.196  585.764   38.636  590.726   29.006  293.678   9.7083  295.074   7.2539 -1.395111 12.11899 
1 1 1    3   13    1 o  282.877   6.0099  552.036   22.111  510.095   36.076  577.271   27.983  274.052   9.7141  291.702   7.0791 -17.64951 12.01990 
1 1 1    3   13    2 o  208.973   4.6950  295.092   13.266  279.771   18.036  313.147   19.580  203.090   6.5536  214.857   6.7248 -11.76640 9.390038 
1 1 1    3   13    3 o  214.525   4.6862  311.027   13.591  296.336   18.457  328.426   20.086  209.016   6.5163  220.034   6.7363 -11.01785 9.372303 
1 1 1    3   13    4 o  246.296   4.7821  411.453   15.942  410.371   22.006  412.647   23.127  245.962   6.6024  246.630   6.9197 -0.6675873 9.564162 
1 1 1    3   13    5 o  245.218   4.7611  407.786   15.806  405.086   21.839  410.756   22.904  244.372   6.5949  246.064   6.8688 -1.692383 9.522229 
1 1 1    3   13    6 o  317.961   7.1763  685.952   30.921  685.952   30.921   0.0000   0.0000  317.961   7.1763  ?   ?       ?      ? 
1 1 1    3   13    7 o  329.587   5.2271  736.659   23.332  724.974   32.335  749.351   33.699  326.868   7.2998  332.306   7.4834 -5.437775 10.45412 
1 1 1    3   13    8 o  214.523   4.7142  311.095   13.678  294.259   18.656  330.666   20.114  208.271   6.6102  220.775   6.7231 -12.50380 9.428427 
1 1 1    3   13    9 o  227.506   5.7308  351.474   16.963  350.886   28.249  351.806   21.212  227.299   9.1713  227.713   6.8741 -0.4148712 11.46151 
1 1 1    3   13   10 o  136.049   6.9975  125.538   12.862  122.979   17.450  128.583   19.034  134.546   9.5704  137.553   10.211 -3.006088 13.99491 
1 1 1    3   13   11 f  330.737   6.4577  749.815   27.132  763.120   33.204  723.081   47.067  335.337   7.3068  326.136   10.650 9.201141 12.91532 
1 1 1    3   13   12 o  330.313   6.4219  723.614   26.569  696.914   31.699  786.677   48.716  320.455   7.2995  340.171   10.568 -19.71600 12.84383 
1 1 1    3   13   13 o  234.652   5.3791  373.409   17.105  373.409   17.105   0.0000   0.0000  234.652   5.3791  ?   ?       ?      ? 
1 1 1    3   13   14 o  291.808   5.7161  577.558   22.604  577.558   22.604   0.0000   0.0000  291.808   5.7161  ?   ?       ?      ? 
1 1 1    3   13   15 o  392.562   6.4862  1045.59   34.505  1045.59   34.505   0.0000   0.0000  392.562   6.4862  ?   ?       ?      ? 
1 1 1    3   13   16 o  350.898   6.7112  860.183   30.115  915.028   37.594  761.966   50.309  367.137   7.5563  334.659   11.093 32.47781 13.42236 
1 1 1    3   13   17 o  221.367   5.5166  337.756   14.091  342.469   16.200  323.112   28.558  224.710   5.3201  218.024   9.6658 6.686234 11.03321 
1 1 1    3   13   18 o  193.744   5.5599  265.580   12.397  276.047   14.337  234.559   24.681  201.746   5.2440  185.743   9.8055 16.00296 11.11970 
1 1 1    3   13   19 o  287.609   5.7954  566.053   19.363  570.085   22.292  553.661   39.078  289.893   5.6745  285.324   10.107 4.569672 11.59087 
1 1 1    3   13   20 o  192.934   5.3663  246.249   11.932  240.624   13.587  265.211   24.945  188.348   5.3231  197.520   9.3195 -9.171463 10.73256 
1 1 1    3   13   21 o  155.147   5.3391  154.715   9.6099  147.204   10.917  180.577   20.257  147.310   5.4685  162.985   9.1718 -15.67505 10.67829 
1 1 1    3   13   22 o  199.632   5.3815  268.812   12.465  267.101   14.294  274.241   25.470  198.434   5.3158  200.831   9.3588 -2.396606 10.76309 
1 1 1    3   13   23 o  227.930   5.4723  354.744   14.510  356.538   16.708  349.235   29.271  229.254   5.3780  226.605   9.5322 2.649414 10.94462 
1 1 1    3   13   24 o  135.835   5.5840  121.182   8.8583  117.351   10.130  133.628   18.259  131.513   5.6843  140.158   9.6131 -8.645721 11.16796 
1 1 1    3   13   25 o  187.289   5.3743  233.971   11.665  230.086   13.337  246.620   24.065  184.160   5.3443  190.418   9.3259 -6.257355 10.74865 
1 1 1    3   13   26 o  176.145   5.4252  209.699   11.100  208.674   12.740  212.927   22.617  175.378   5.3606  176.913   9.4337 -1.535629 10.85041 
1 1 1    3   13   27 o  180.062   5.5895  231.699   11.636  243.445   13.530  198.330   22.805  189.426   5.2706  170.697   9.8585 18.72874 11.17898 
1 1 1    3   13   28 o  198.611   5.3825  267.661   12.509  267.301   14.420  268.758   25.141  198.482   5.3612  198.740   9.3349 -0.2581635 10.76492 
1 1 1    3   13   29 o  125.412   5.6968  104.235   8.4051  101.626   9.6616  112.353   17.044  122.364   5.8265  128.461   9.7910 -6.096268 11.39353 
1 1 1    3   13   30 o  305.444   6.3214  645.347   24.730  669.025   30.675  601.379   41.801  313.802   7.2135  297.085   10.383 16.71774 12.64280 
1 1 1    3   13   31 o  192.333   5.8066  253.165   14.346  256.717   17.737  246.445   24.396  194.411   6.7325  190.255   9.4624 4.155762 11.61311 
1 1 1    3   13   32 o  130.275   5.7313  113.252   8.7993  111.101   10.138  119.821   17.718  127.929   5.8479  132.621   9.8587 -4.692619 11.46265 
1 1 1    3   13   33 o  192.947   5.5295  258.792   12.493  264.670   14.499  241.849   24.616  197.473   5.4182  188.422   9.6407 9.050873 11.05894 
1 1 1    3   13   34 o  199.613   5.4438  267.728   12.756  264.574   14.692  277.386   25.709  197.426   5.4916  201.799   9.4013 -4.372955 10.88766 
1 1 1    3   13   35 o  168.336   5.4266  188.339   10.792  183.967   12.438  201.657   21.710  164.617   5.5756  172.055   9.3114 -7.437363 10.85310 
1 1 1    3   13   36 o  216.121   5.8246  319.959   15.925  323.832   19.388  311.927   27.920  218.317   6.5534  213.926   9.6310 4.390854 11.64918 
1 1 1    3   13   37 o  329.383   5.2197  737.028   23.287  710.890   32.345  765.154   33.553  323.327   7.3822  335.440   7.3813 -12.11322 10.43934 
1 1 1    3   13   38 o  260.981   5.9151  468.991   19.763  480.428   24.417  447.267   33.652  265.861   6.7774  256.101   9.6964 9.760010 11.83021 
1 1 1    3   13   39 o   66.483   8.9610   34.383   7.3726   42.386   9.2676   20.587   12.167   78.883   8.6697   54.083   15.686 24.79952 17.92202 
1 1 1    3   13   40 o  128.999   4.9069  113.193   8.5612  104.237   12.016  122.426   12.201  123.800   7.1624  134.198   6.7091 -10.39796 9.813816 
1 1 1    3   13   41 o  106.710   5.2738   77.416   7.6212   81.454   10.936   73.603   10.627  109.418   7.3752  104.002   7.5403 5.416115 10.54751 
1 1 1    3   13   42 o  163.126   4.7678  180.974   10.538  183.927   14.856  177.982   14.950  164.473   6.6653  161.780   6.8192 2.692947 9.535603 
1 1 1    3   13   43 o  282.799   6.1438  537.362   22.073  523.260   26.729  567.606   39.142  277.331   7.1121  288.267   10.020 -10.93649 12.28754 
1 1 1    3   13   44 o  171.280   6.0046  201.326   13.154  204.171   16.193  195.806   22.556  173.246   6.8974  169.315   9.8308 3.930405 12.00912 
1 1 1    3   13   45 o  112.607   7.5493   86.427   11.479   76.716   15.754   97.416   16.759  105.858   10.982  119.356   10.361 -13.49767 15.09855 
1 1 1    3   13   46 o  144.046   5.0186  141.245   9.7838  140.769   14.189  141.676   13.509  143.798   7.2813  144.294   6.9086 -0.4965363 10.03722 
1 1 1    3   13   47 o  195.413   4.7665  259.939   12.608  244.453   17.759  275.676   17.902  189.521   6.9146  201.305   6.5625 -11.78394 9.533007 
1 1 1    3   13   48 o  138.226   5.0549  130.689   9.3902  110.875   13.222  150.854   13.338  127.557   7.6490  148.895   6.6106 -21.33722 10.10981 
1 1 1    3   13   49 o  169.883   4.8350  196.286   11.125  202.584   16.066  190.484   15.419  172.494   6.8729  167.272   6.8024 5.222260 9.670027 
1 1 1    3   13   50 o  185.454   5.9200  228.333   13.824  252.327   25.178  217.979   16.540  191.999   9.6770  178.909   6.8220 13.09081 11.83991 
1 1 1    3   13   51 o  151.342   6.2872  151.590   11.822  169.255   22.104  144.513   13.991  157.068   10.385  145.617   7.0901 11.45110 12.57435 
1 1 1    3   13   52 o  122.185   6.8451  109.100   10.323   84.128   17.591  122.217   12.749  110.479   11.750  133.892   7.0264 -23.41263 13.69022 
1 1 1    3   13   53 o  153.552   6.2192  168.005   12.013  142.376   20.413  181.582   14.857  143.896   10.468  163.207   6.7177 -19.31119 12.43846 
1 1 1    3   13   54 o  110.081   5.5828   83.340   8.2639   71.985   11.743   94.481   11.632  102.536   8.4512  117.626   7.2971 -15.08972 11.16562 
1 1 1    3   13   55 f   35.191   8.4390   4.0244   5.7462   15.902   8.6193  -5.4777   7.7094   47.087   13.054   23.295   10.699 23.79262 16.87799 
1 1 1    3   13   56 o   64.940   9.2415   30.834   7.7192   33.500   9.8205   26.523   12.487   69.662   10.403   60.218   15.278 9.444782 18.48307 
1 1 1    3   13   57 o  154.330   6.0805  164.380   12.141  166.188   15.129  161.109   20.350  155.855   7.1634  152.806   9.8273 3.048721 12.16096 
1 1 1    3   13   58 o  136.324   5.1600  127.320   9.5205  127.160   13.809  127.465   13.144  136.204   7.4815  136.444   7.1085 -0.2395935 10.32002 
1 1 1    3   13   59 o   55.749   8.2800   23.879   6.2963   10.640   9.3567   34.835   8.5118   40.423   14.005   71.075   8.8373 -30.65216 16.56003 
1 1 1    3   13   60 o   76.746   6.8599   42.082   6.8918   31.271   10.070   51.606   9.4519   66.917   11.105   86.576   8.0564 -19.65894 13.71979 
1 1 1    3   13   61 o   67.936   7.5822   33.661   6.5809   25.094   9.5956   41.270   9.0427   58.610   12.465   77.262   8.6366 -18.65204 15.16448 
1 1 1    3   13   62 f   40.358   9.1665   11.200   5.9203   6.5505   8.5759   15.433   8.1830   34.817   13.205   45.898   12.718 -11.08105 18.33306 
1 1 1    3   13   63 o   73.651   6.9380   38.624   6.7749   30.850   9.8360   45.641   9.3451   66.184   10.967   81.118   8.5013 -14.93374 13.87597 
1 1 1    3   13   64 o   93.868   6.0239   62.511   7.4501   46.789   10.656   77.545   10.420   81.753   9.6183  105.983   7.2552 -24.22995 12.04783 
1 1 1    3   13   65 o  106.026   7.8765   79.951   11.290   78.690   16.457   81.072   15.517  105.046   11.561  107.007   10.700 -1.961372 15.75308 
1 1 1    3   13   66 o   32.666   9.4514  -0.8880   7.7575 -15.3665   11.569   10.941   10.457   24.618   11.837   40.714   14.738 -16.09607 18.90282 
1 1 1    3   13   67 f   65.117   9.3614   32.916   7.5409   27.876   13.304   35.302   9.1533   59.547   16.101   70.688   9.5555 -11.14060 18.72277 
1 1 1    3   13   68 o   66.753   8.9368   31.175   7.4199   41.495   13.170   26.376   8.9807   73.948   13.645   59.558   11.544 14.38974 17.87351 
1 1 1    3   13   69 o   48.014   10.239   16.575   6.8766   22.529   12.110   13.741   8.3540   53.319   15.702   42.709   13.146 10.61069 20.47851 
1 1 1    3   13   70 o   60.769   9.3423   29.579   7.3480   22.756   12.269   33.395   9.1755   53.293   15.833   68.245   9.9214 -14.95250 18.68469 
1 1 1    3   13   71 o   92.380   12.245   63.287   15.329   0.0000   0.0000   63.287   15.329  ?   ?    92.380   12.245      ?      ? 
1 1 1    3   13   72 o   55.279   16.080   25.095   12.770   0.0000   0.0000   25.095   12.770  ?   ?    55.279   16.080      ?      ? 
1 1 1    3   13   73 o   56.160   11.320   26.084   9.0323   25.395   12.583   26.817   12.973   55.455   15.913   56.865   16.105 -1.409630 22.64007 
1 1 1    3   13   74 o   46.842   10.956   17.050   8.7400   25.587   12.090   7.7056   12.649   55.682   15.469   38.003   15.518 17.67932 21.91154 
1 1 1    3   13   75 o   38.149   10.569   5.9041   8.3767  -2.4217   10.850   18.188   13.179   29.021   13.077   47.278   16.608 -18.25680 21.13828 
1 1 1    3   13   76 o   50.373   10.921   21.259   9.0976   31.153   12.170   8.7295   13.696   61.579   14.774   39.166   16.088 22.41203 21.84271 
1 1 1    3   13   77 o   46.095   11.459   17.602   8.9154   19.216   11.889   15.528   13.475   47.865   15.791   44.324   16.609 3.540569 22.91717 
1 1 1    3   13   78 o   44.304   11.322   16.145   8.7542   17.751   11.410   13.847   13.649   46.017   15.477   42.591   16.528 3.425728 22.64332 
1 1 1    3   13   79 o   50.881   11.149   20.389   9.0499   9.7842   11.741   35.913   14.206   37.995   15.151   63.767   16.359 -25.77179 22.29702 
1 1 1    3   13   80 o   50.167   11.455   20.420   9.3626   10.253   12.123   35.447   14.739   38.240   15.344   62.095   17.012 -23.85521 22.90990 
1 1 1    3   13   81 o   42.266   11.604   15.027   9.4725   13.833   12.722   16.511   14.190   41.035   15.948   43.498   16.860 -2.462563 23.20819 
1 1 1    3   13   82 o   28.050   12.944  -3.2805   11.476  -3.2805   11.476   0.0000   0.0000   28.050   12.944  ?   ?       ?      ? 
1 1 1    3   13   83 o   40.482   11.057   13.694   9.2438   21.739   12.673   4.5481   13.512   47.206   16.302   33.758   14.942 13.44787 22.11405 
1 1 1    3   13   84 o   47.462   11.482   22.289   9.5110   12.717   13.324   32.232   13.581   38.448   15.840   56.475   16.627 -18.02694 22.96411 
1 1 1    3   13   85 o   33.090   10.315   6.0040   9.0162   7.2187   12.947   4.8603   12.563   33.909   14.830   32.270   14.339 1.638752 20.62907 
1 1 1    3   14    0 o  165.992   4.7367  186.889   10.627  185.601   14.488  188.388   15.635  165.383   6.4644  166.601   6.9251 -1.218781 9.473372 
1 1 1    3   14    1 o  137.868   4.8893  128.811   9.1016  126.754   12.314  131.287   13.513  136.666   6.6488  139.070   7.1703 -2.404190 9.778521 
1 1 1    3   14    2 o  230.839   4.7567  361.620   14.862  361.197   20.520  362.087   21.555  230.706   6.5634  230.972   6.8867 -0.2659607 9.513371 
1 1 1    3   14    3 o  221.352   4.7716  332.461   14.294  331.146   19.698  333.924   20.776  220.898   6.5803  221.805   6.9119 -0.9064941 9.543296 
1 1 1    3   14    4 o  247.758   5.8808  407.180   18.309  391.772   21.898  442.974   33.376  240.260   6.7257  255.256   9.6488 -14.99567 11.76158 
1 1 1    3   14    5 o  227.328   5.7761  338.291   16.438  319.439   19.529  384.109   30.445  216.952   6.6425  237.704   9.4514 -20.75174 11.55212 
1 1 1    3   14    6 o  334.126   6.5186  766.084   27.630  779.999   33.775  737.931   48.041  338.948   7.3533  329.303   10.766 9.645081 13.03711 
1 1 1    3   14    7 o  183.982   5.9799  238.958   13.675  254.705   16.663  206.470   23.933  193.737   6.3468  174.226   10.137 19.51128 11.95989 
1 1 1    3   14    8 f  135.148   5.1291  125.410   9.2869  138.702   12.699  110.129   13.616  142.958   6.5550  127.339   7.8907 15.61954 10.25828 
1 1 1    3   14    9 o  265.607   4.9345  478.546   17.741  471.722   24.446  486.139   25.788  263.617   6.8430  267.596   7.1114 -3.978882 9.869052 
1 1 1    3   14   10 o  226.130   4.8070  347.236   14.706  349.535   20.259  344.676   21.381  226.934   6.5876  225.326   7.0022 1.607788 9.613932 
1 1 1    3   14   11 o  146.057   4.9180  144.023   9.7030  135.033   13.098  154.956   14.445  141.038   6.8531  151.076   7.0556 -10.03792 9.835946 
1 1 1    3   14   12 o  174.367   4.8261  207.006   11.364  215.709   15.645  197.287   16.533  178.274   6.4761  170.460   7.1571 7.814163 9.652153 
1 1 1    3   14   13 o  165.184   5.6823  189.082   10.638  192.265   12.146  178.596   22.044  168.353   5.3239  162.016   10.040 6.336975 11.36460 
1 1 1    3   14   14 o  217.270   5.9964  329.444   16.317  344.917   19.888  297.577   28.542  225.420   6.5104  209.120   10.072 16.29985 11.99279 
1 1 1    3   14   15 o  280.589   6.9325  534.551   26.360  534.551   26.360   0.0000   0.0000  280.589   6.9325  ?   ?       ?      ? 
1 1 1    3   14   16 o  170.219   6.6214  196.701   15.274  196.701   15.274   0.0000   0.0000  170.219   6.6214  ?   ?       ?      ? 
1 1 1    3   14   17 o  124.758   6.1306  106.394   8.6472  106.871   9.8316  104.765   18.173  125.495   5.7811  124.021   10.813 1.474640 12.26130 
1 1 1    3   14   18 o  294.015   5.9358  592.640   20.158  597.316   23.151  577.982   40.987  296.685   5.7584  291.345   10.381 5.339355 11.87153 
1 1 1    3   14   19 o  309.314   5.9609  640.640   21.285  631.938   24.311  669.219   44.058  305.146   5.8791  313.481   10.371 -8.334961 11.92172 
1 1 1    3   14   20 o  241.383   5.7084  402.878   15.904  409.341   18.299  382.921   32.156  245.612   5.4980  237.155   10.006 8.457199 11.41671 
1 1 1    3   14   21 o  158.728   5.6338  170.184   10.255  169.259   11.700  173.246   21.298  157.935   5.4669  159.520   9.8524 -1.584839 11.26754 
1 1 1    3   14   22 o  172.820   5.5213  200.239   10.933  197.881   12.450  208.182   22.853  170.768   5.3800  174.873   9.6434 -4.104355 11.04264 
1 1 1    3   14   23 o  122.070   6.2553  108.221   8.5747  114.437   9.8690   89.078   17.320  129.852   5.6084  114.287   11.183 15.56541 12.51070 
1 1 1    3   14   24 o  114.300   5.7735   81.225   7.7592   74.441   8.8166  104.529   16.340  104.708   6.2135  123.892   9.7328 -19.18362 11.54706 
1 1 1    3   14   25 o  136.347   6.1921  127.896   10.763  130.770   13.235  122.284   18.496  138.735   7.0396  133.959   10.189 4.776093 12.38421 
1 1 1    3   14   26 f  201.156   5.9861  284.385   15.291  304.400   19.000  247.586   25.763  211.693   6.6230  190.619   9.9735 21.07407 11.97222 
1 1 1    3   14   27 o  280.699   5.8063  531.247   18.966  526.813   21.770  545.209   38.631  278.568   5.7670  282.829   10.079 -4.261017 11.61251 
1 1 1    3   14   28 o  158.752   5.6973  173.813   10.418  176.027   11.965  166.875   21.180  161.036   5.4830  156.468   9.9888 4.568283 11.39468 
1 1 1    3   14   29 o  121.004   6.0207   99.017   8.3898   98.451   9.5905  100.862   17.317  120.412   5.8774  121.595   10.509 -1.182373 12.04132 
1 1 1    3   14   30 o  153.100   5.6938  159.483   10.071  159.494   11.545  159.450   20.597  153.275   5.5581  152.925   9.9392 0.3496246 11.38769 
1 1 1    3   14   31 o  105.657   6.4372   76.971   7.9201   77.880   9.1415   74.234   15.860  107.072   6.3003  104.242   11.228 2.829048 12.87444 
1 1 1    3   14   32 o  262.335   5.8067  477.594   17.755  486.838   20.543  450.296   35.302  267.762   5.6615  256.907   10.140 10.85434 11.61338 
1 1 1    3   14   33 o  196.164   5.6882  263.996   12.952  266.007   14.909  257.808   26.149  197.928   5.5585  194.400   9.9261 3.527664 11.37647 
1 1 1    3   14   34 o  139.842   5.8531  132.828   11.092  132.828   11.092   0.0000   0.0000  139.842   5.8531  ?   ?       ?      ? 
1 1 1    3   14   35 o  129.844   5.9907  114.535   10.541  114.535   10.541   0.0000   0.0000  129.844   5.9907  ?   ?       ?      ? 
1 1 1    3   14   36 o  170.005   5.5772  193.192   11.213  189.576   12.944  204.066   22.446  167.063   5.7176  172.946   9.5775 -5.883118 11.15431 
1 1 1    3   14   37 o  174.722   5.5679  202.796   11.518  197.687   13.284  218.271   23.119  170.591   5.7463  178.852   9.5387 -8.260818 11.13589 
1 1 1    3   14   38 o  237.598   5.9623  380.346   17.940  372.732   21.689  396.837   31.920  234.106   6.8366  241.091   9.7701 -6.984787 11.92455 
1 1 1    3   14   39 o  214.633   6.0793  323.433   16.544  343.356   20.474  285.950   28.083  224.694   6.7239  204.572   10.130 20.12206 12.15851 
1 1 1    3   14   40 o  161.199   6.0071  173.227   12.401  165.669   15.080  189.017   21.797  156.032   7.1317  166.366   9.6684 -10.33435 12.01415 
1 1 1    3   14   41 o  121.166   7.5588   99.756   12.271   80.473   16.655  122.647   18.147  108.375   11.341  133.958   9.9965 -25.58326 15.11769 
1 1 1    3   14   42 o   76.593   6.6056   40.310   6.8119   36.046   9.8071   44.285   9.4687   72.613   9.9665   80.572   8.6720 -7.959015 13.21118 
1 1 1    3   14   43 o  127.434   5.1439  110.712   8.8721  105.969   12.662  115.286   12.435  124.731   7.4910  130.137   7.0513 -5.406639 10.28772 
1 1 1    3   14   44 o  140.348   4.9961  133.622   9.4779  147.781   13.839  121.112   13.007  147.338   6.9310  133.358   7.1976 13.97998 9.992249 
1 1 1    3   14   45 o  176.912   4.7974  213.230   11.490  208.815   16.519  217.367   15.992  175.115   6.9610  178.709   6.6034 -3.594116 9.594806 
1 1 1    3   14   46 o   73.788   9.4777   41.733   7.9596   31.441   15.252   45.586   9.3310   65.867   16.979   81.709   8.4271 -15.84126 18.95550 
1 1 1    3   14   47 o   98.830   7.5884   68.161   9.0228   64.613   17.088   69.532   10.625   96.708   13.039  100.951   7.7663 -4.242661 15.17687 
1 1 1    3   14   48 o  236.617   4.9313  380.852   15.791  396.151   23.074  367.375   21.657  241.059   7.0634  232.174   6.8833 8.884430 9.862639 
1 1 1    3   14   49 f  145.415   6.3004  148.318   11.444  135.328   20.147  154.505   13.906  140.286   10.598  150.544   6.8162 -10.25838 12.60070 
1 1 1    3   14   50 o  143.750   6.2812  144.063   11.337  134.821   19.915  148.494   13.789  139.961   10.500  147.539   6.8965 -7.577606 12.56248 
1 1 1    3   14   51 o  179.507   4.8782  220.124   11.855  214.594   17.013  225.344   16.527  177.279   7.0817  181.736   6.7109 -4.457214 9.756371 
1 1 1    3   14   52 o  154.280   4.9934  162.914   10.416  151.137   14.784  174.522   14.678  148.683   7.3377  159.878   6.7747 -11.19464 9.986889 
1 1 1    3   14   53 o   58.492   9.4534   25.879   7.5257   32.530   9.7777   16.214   11.788   68.604   10.517   48.380   15.712 20.22412 18.90682 
1 1 1    3   14   54 o   32.337   8.4820   2.4444   5.9210  -8.4742   8.6904   11.904   8.0890   23.333   10.933   41.341   12.971 -18.00750 16.96405 
1 1 1    3   14   55 o   47.125   8.7853   16.207   6.2424   6.3358   9.1717   24.726   8.5203   35.515   13.611   58.736   11.112 -23.22049 17.57060 
1 1 1    3   14   56 o  143.593   5.0588  141.245   9.8390  145.716   14.186  137.102   13.658  145.774   7.1814  141.412   7.1270 4.361832 10.11763 
1 1 1    3   14   57 o   91.652   5.9250   57.700   7.3440   62.214   10.790   53.804   10.025   94.977   8.3831   88.326   8.3752 6.651184 11.84991 
1 1 1    3   14   58 o   76.467   6.7037   41.350   6.8077   33.622   9.9296   48.203   9.3515   69.377   10.562   83.558   8.2587 -14.18102 13.40732 
1 1 1    3   14   59 o   81.978   6.4277   46.949   7.0952   42.971   10.316   50.520   9.7742   78.525   9.6944   85.430   8.4428 -6.905106 12.85542 
1 1 1    3   14   60 o   49.786   8.7938   17.843   6.1520   26.384   9.0991   10.650   8.3496   60.180   11.578   39.392   13.239 20.78788 17.58769 
1 1 1    3   14   61 o   65.249   7.8239   31.078   6.6138   23.995   9.4630   37.843   9.2475   56.897   12.605   73.601   9.2717 -16.70369 15.64770 
1 1 1    3   14   62 o   73.722   8.7769   37.024   7.9578   46.780   14.738   33.010   9.4544   79.029   14.288   68.415   10.198 10.61458 17.55377 
1 1 1    3   14   63 o   53.507   11.216   22.163   8.7993   18.634   13.004   25.143   11.950   49.886   16.517   57.127   15.179 -7.240917 22.43228 
1 1 1    3   14   64 o   56.403   10.552   25.011   8.6255   14.944   12.577   33.951   11.852   45.779   16.209   67.027   13.515 -21.24829 21.10448 
1 1 1    3   14   65 o   53.547   10.003   22.232   7.0956   21.089   12.496   22.775   8.6202   51.963   16.092   55.130   11.888 -3.166485 20.00659 
1 1 1    3   14   66 f   28.137   8.8026  -0.9921   6.2308  -1.5579   11.057  -0.7289   7.5423   30.444   13.494   25.830   11.307 4.613623 17.60523 
1 1 1    3   14   67 o   34.736   9.2101   6.7808   6.4945  -4.5669   11.425   12.198   7.8938   29.039   13.218   40.433   12.829 -11.39408 18.42025 
1 1 1    3   14   68 o   50.748   11.249   20.580   8.6101   22.053   12.406   19.211   11.959   52.296   16.007   49.201   15.810 3.094372 22.49897 
1 1 1    3   14   69 f   63.145   10.926   32.411   9.2967   35.205   12.860   29.352   13.455   66.556   14.655   59.735   16.209 6.821327 21.85172 
1 1 1    3   14   70 o   53.583   16.143   23.681   12.689   0.0000   0.0000   23.681   12.689  ?   ?    53.583   16.143      ?      ? 
1 1 1    3   14   71 o   42.872   9.8612   8.4398   8.3568  -8.6243   11.336   28.752   12.368   26.515   12.444   59.230   15.301 -32.71504 19.72232 
1 1 1    3   14   72 o   37.940   10.347   6.4607   8.0899  -2.1989   10.763   17.708   12.266   29.073   13.070   46.808   16.045 -17.73428 20.69450 
1 1 1    3   14   73 o   34.049   9.8628   3.5878   7.9957   11.661   10.476  -7.6775   12.375   39.939   14.706   28.159   13.147 11.78025 19.72554 
1 1 1    3   14   74 o   39.883   10.800   9.7155   8.3641   3.5996   11.023   18.017   12.842   33.061   14.062   46.705   16.394 -13.64329 21.59907 
1 1 1    3   14   75 o   55.874   10.353   23.762   9.0467   7.7376   11.911   45.613   13.908   36.831   15.051   74.917   14.220 -38.08582 20.70627 
1 1 1    3   14   76 o   65.732   11.100   37.399   9.7354   39.589   12.999   34.602   14.691   69.241   14.326   62.223   16.959 7.017532 22.20041 
1 1 1    3   14   77 o   50.633   11.225   20.595   9.2172   9.6214   12.089   35.830   14.244   37.901   15.283   63.364   16.446 -25.46249 22.45033 
1 1 1    3   14   78 o   35.832   10.289   6.9532   8.4343   14.220   11.193  -2.5937   12.830   41.396   15.207   30.268   13.864 11.12772 20.57847 
1 1 1    3   14   79 o   40.046   11.107   12.868   8.9591   16.245   12.090   8.7545   13.342   42.966   15.802   37.126   15.614 5.839920 22.21483 
1 1 1    3   14   80 f   27.073   8.9305  -5.9266   8.3105   0.2767   10.734 -15.2102   13.131   29.143   13.080   25.002   12.162 4.141077 17.86098 
1 1 1    3   14   81 o   40.600   15.720   14.944   12.324   14.944   12.324   0.0000   0.0000   40.600   15.720  ?   ?       ?      ? 
1 1 1    3   14   82 o   34.724   10.523   7.4307   8.9501   2.6557   12.264   12.871   13.091   31.146   13.981   38.302   15.731 -7.155378 21.04531 
1 1 1    3   15    0 o  182.182   4.8577  226.231   11.944  245.732   16.721  205.915   17.068  190.250   6.4858  174.114   7.2336 16.13612 9.715473 
1 1 1    3   15    1 o  154.710   6.0296  163.702   12.217  158.893   19.882  166.619   15.485  152.803   9.6017  156.618   7.2959 -3.814728 12.05912 
1 1 1    3   15    2 o  240.788   5.9370  392.371   18.542  400.314   31.256  388.058   23.033  242.546   9.5095  239.030   7.1106 3.516434 11.87398 
1 1 1    3   15    3 o  252.125   6.0309  434.728   19.681  423.548   32.943  440.934   24.542  249.456   9.7450  254.793   7.1078 -5.337021 12.06172 
1 1 1    3   15    4 o   92.986   7.2861   59.030   8.8769   58.300   14.495   59.468   11.229   92.463   11.568   93.509   8.8615 -1.045448 14.57216 
1 1 1    3   15    5 o  244.745   5.9118  400.013   18.723  431.227   32.119  383.948   23.043  251.739   9.4152  237.752   7.1520 13.98633 11.82354 
1 1 1    3   15    6 o  128.641   5.1529  110.684   8.9132   96.630   11.795  129.396   13.610  119.266   7.2976  138.015   7.2768 -18.74826 10.30572 
1 1 1    3   15    7 o  125.815   5.1539  108.647   8.6940  118.912   11.860   96.725   12.782  132.334   6.6137  119.296   7.9063 13.03749 10.30779 
1 1 1    3   15    8 o   66.300   7.6192   29.572   6.5346   21.609   8.5540   40.731   10.126   55.246   11.785   77.354   9.6600 -22.10821 15.23832 
1 1 1    3   15    9 o   76.456   6.8777   40.901   6.9274   48.432   9.4116   31.996   10.234   84.402   8.2286   68.510   11.023 15.89244 13.75535 
1 1 1    3   15   10 o  164.013   4.8774  182.372   10.814  178.165   14.718  187.309   15.943  161.972   6.7053  166.054   7.0850 -4.082382 9.754890 
1 1 1    3   15   11 o  120.745   5.3020   98.782   8.6571   94.875   11.787  103.357   12.756  118.167   7.3609  123.323   7.6330 -5.156204 10.60397 
1 1 1    3   15   12 o  211.237   4.8377  302.530   13.819  295.110   18.851  311.150   20.318  208.455   6.6734  214.019   7.0056 -5.564423 9.675395 
1 1 1    3   15   13 o  153.283   5.9472  167.678   10.181  174.338   11.631  145.855   21.054  160.284   5.3548  146.282   10.621 14.00189 11.89430 
1 1 1    3   15   14 o   83.397   8.8539   59.442   7.2583   67.910   8.2980   31.861   14.976  100.012   6.1227   66.782   16.616 33.22970 17.70773 
1 1 1    3   15   15 o  116.248   6.5024   97.278   8.2274  101.279   9.3174   83.116   17.530  122.154   5.6286  110.341   11.724 11.81264 13.00480 
1 1 1    3   15   16 o   90.282   6.7763   50.729   6.9608   47.151   7.8087   64.574   15.360   83.308   6.9168   97.255   11.655 -13.94692 13.55264 
1 1 1    3   15   17 o  146.866   5.7572  143.699   9.6171  141.255   10.904  152.255   20.403  144.259   5.5780  149.473   10.073 -5.213623 11.51430 
1 1 1    3   15   18 o  207.433   5.6931  299.818   13.578  306.555   15.623  279.021   27.450  212.524   5.4248  202.342   10.011 10.18240 11.38621 
1 1 1    3   15   19 f  176.020   5.9782  213.144   13.263  217.331   16.128  204.395   23.313  178.862   6.6538  173.179   9.9339 5.682373 11.95638 
1 1 1    3   15   20 o   73.984   8.9645   40.828   7.8974   45.271   9.6000   31.525   13.890   81.555   8.6864   66.414   15.684 15.14122 17.92899 
1 1 1    3   15   21 o  122.465   7.2628  101.950   12.053  101.950   12.053   0.0000   0.0000  122.465   7.2628  ?   ?       ?      ? 
1 1 1    3   15   22 o  124.542   6.0399   96.687   8.5300   90.134   9.5600  122.280   18.892  115.201   6.1238  133.883   10.413 -18.68204 12.07988 
1 1 1    3   15   23 o  113.764   6.2514   87.709   8.2355   87.319   9.4410   88.951   16.843  113.384   6.1445  114.143   10.889 -0.7592163 12.50281 
1 1 1    3   15   24 o  157.241   5.7060  168.501   10.346  168.735   11.854  167.752   21.194  157.648   5.5487  156.835   9.9721 0.8129272 11.41190 
1 1 1    3   15   25 o  199.538   5.6572  277.319   13.073  283.553   15.091  258.582   26.164  204.366   5.4493  194.711   9.9158 9.654221 11.31444 
1 1 1    3   15   26 o  208.377   5.6053  293.600   13.525  291.873   15.498  299.113   27.697  207.332   5.5162  209.422   9.7595 -2.089996 11.21051 
1 1 1    3   15   27 o  166.276   6.1622  193.204   12.969  203.056   15.971  174.135   22.220  172.831   6.8191  159.720   10.266 13.11057 12.32448 
1 1 1    3   15   28 o  106.557   6.5550   71.351   8.0562   66.442   9.0940   89.251   17.365   98.861   6.7881  114.253   11.216 -15.39236 13.10992 
1 1 1    3   15   29 o  121.742   6.1703  100.705   10.180  100.705   10.180   0.0000   0.0000  121.742   6.1703  ?   ?       ?      ? 
1 1 1    3   15   30 o  246.209   6.7855  412.165   22.640  412.165   22.640   0.0000   0.0000  246.209   6.7855  ?   ?       ?      ? 
1 1 1    3   15   31 o  229.439   6.1190  366.934   17.686  382.366   21.634  335.842   30.709  237.139   6.7322  221.739   10.220 15.39981 12.23796 
1 1 1    3   15   32 o  268.504   6.2816  503.954   21.343  528.933   26.269  455.441   36.608  278.864   6.9512  258.143   10.465 20.72122 12.56321 
1 1 1    3   15   33 o  145.604   6.4408  148.448   11.780  155.581   14.401  134.025   20.479  151.228   7.0273  139.981   10.796 11.24686 12.88158 
1 1 1    3   15   34 o  135.032   6.2832  113.311   10.773   95.136   12.797  157.532   19.962  118.180   7.9908  151.884   9.6984 -33.70423 12.56633 
1 1 1    3   15   35 o  199.825   5.8261  277.165   13.755  282.684   16.026  261.729   26.803  203.963   5.7982  195.688   10.107 8.275620 11.65224 
1 1 1    3   15   36 o  165.772   6.8941  187.422   15.446  183.421   21.002  192.136   22.798  163.889   9.4564  167.655   10.034 -3.765854 13.78817 
1 1 1    3   15   37 o  113.895   6.5181   87.579   8.7717   86.558   10.140   90.614   17.487  112.801   6.6332  114.989   11.222 -2.187851 13.03621 
1 1 1    3   15   38 o  189.035   5.5756  233.708   12.502  223.898   14.382  264.053   25.294  181.490   5.8475  196.581   9.4951 -15.09010 11.15120 
1 1 1    3   15   39 o  182.488   5.6999  224.632   12.306  222.105   14.234  232.110   24.484  180.754   5.8110  184.223   9.8076 -3.468185 11.39989 
1 1 1    3   15   40 o  145.863   6.0613  148.424   10.453  151.964   12.198  138.639   20.281  149.483   6.0214  142.243   10.521 7.240341 12.12267 
1 1 1    3   15   41 o  195.758   6.1525  265.220   15.604  274.314   19.595  249.455   25.798  200.653   7.2062  190.864   9.9742 9.789490 12.30502 
1 1 1    3   15   42 o  170.031   6.1573  190.040   13.626  172.515   16.748  224.353   23.435  159.025   7.7717  181.038   9.5524 -22.01331 12.31453 
1 1 1    3   15   43 o   94.094   7.9657   60.583   9.9442   59.385   12.765   62.431   15.859   93.052   10.123   95.136   12.302 -2.083389 15.93135 
1 1 1    3   15   44 o  141.270   6.3582  133.772   11.779  125.999   14.708  147.669   19.667  135.818   7.9913  146.721   9.8917 -10.90291 12.71644 
1 1 1    3   15   45 o  137.713   7.3836  130.739   13.723  144.205   19.404  117.268   19.409  144.930   9.8801  130.496   10.975 14.43449 14.76730 
1 1 1    3   15   46 o  152.116   5.9591  149.845   11.506  182.973   21.017  135.668   13.749  163.261   9.4998  140.971   7.1972 22.29004 11.91829 
1 1 1    3   15   47 f  112.602   5.4804   86.238   8.3383   93.423   12.375   80.263   11.285  116.866   7.8138  108.339   7.6865 8.526878 10.96076 
1 1 1    3   15   48 o  112.423   5.4813   86.840   8.3095   82.317   12.172   90.788   11.372  109.604   8.1947  115.241   7.2820 -5.637039 10.96270 
1 1 1    3   15   49 o   97.624   6.7552   64.290   8.7614   59.236   11.163   72.398   14.139   92.840   8.8726  102.408   10.189 -9.567612 13.51042 
1 1 1    3   15   50 o   29.885   8.9784  -0.7005   6.6704   4.6168   8.9001  -7.5154   10.076   33.491   13.243   26.278   12.128 7.213131 17.95673 
1 1 1    3   15   51 o  124.501   5.3768  107.467   8.9610   90.602   12.891  123.238   12.465  114.804   8.2860  134.197   6.8545 -19.39339 10.75368 
1 1 1    3   15   52 o   68.159   8.0839   35.382   6.8403   20.483   10.119   47.920   9.2827   52.863   13.929   83.455   8.2080 -30.59183 16.16789 
1 1 1    3   15   53 o  104.049   5.6848   74.668   7.9788   73.010   11.786   76.072   10.841  102.894   8.4528  105.205   7.6038 -2.310654 11.36961 
1 1 1    3   15   54 o   88.172   9.0360   53.837   10.797   53.837   10.797   0.0000   0.0000   88.172   9.0360  ?   ?       ?      ? 
1 1 1    3   15   55 o   53.817   8.3621   21.818   6.1361   12.903   9.0987   29.255   8.3104   42.770   13.795   64.864   9.4544 -22.09398 16.72414 
1 1 1    3   15   56 o   25.645   7.9399  -2.6114   5.3224   2.4201   8.2252  -6.2356   6.9808   30.110   12.429   21.179   9.8832 8.931240 15.87983 
1 1 1    3   15   57 f   54.074   8.2553   20.662   6.0809   30.812   9.1576   12.657   8.1328   66.255   10.200   41.893   12.983 24.36176 16.51058 
1 1 1    3   15   58 o   68.792   6.9449   33.138   6.4500   34.192   9.6020   32.271   8.7069   69.701   10.166   67.883   9.4650 1.817696 13.88982 
1 1 1    3   15   59 o   80.708   7.8587   42.751   7.9097   55.968   15.082   37.737   9.2899   88.077   12.636   73.340   9.3474 14.73697 15.71738 
1 1 1    3   15   60 o   54.760   9.0786   26.171   7.3896   5.2806   13.011   36.117   8.9781   37.844   15.628   71.676   9.2433 -33.83186 18.15716 
1 1 1    3   15   61 o   64.075   11.038   32.373   9.5956   26.053   13.792   38.301   13.359   57.388   16.716   70.762   14.420 -13.37425 22.07664 
1 1 1    3   15   62 o   54.287   11.571   23.268   9.2344   25.394   13.208   21.235   12.916   56.524   16.328   52.051   16.400 4.473236 23.14165 
1 1 1    3   15   63 o   46.470   10.339   16.817   7.1566   13.628   12.609   18.333   8.6924   44.023   16.145   48.918   12.920 -4.894989 20.67846 
1 1 1    3   15   64 o   54.310   11.441   23.763   9.0543   23.138   12.883   24.373   12.728   53.612   16.292   55.007   16.069 -1.394306 22.88271 
1 1 1    3   15   65 o   73.012   10.244   41.512   9.9302   35.319   13.962   47.851   14.126   66.128   15.797   79.897   13.047 -13.76956 20.48840 
1 1 1    3   15   66 o   72.662   10.222   41.640   9.7084   37.546   13.611   45.881   13.852   68.499   15.072   76.826   13.813 -8.326118 20.44394 
1 1 1    3   15   67 o   65.303   10.860   34.414   9.7137   22.745   13.282   47.831   14.242   52.431   16.642   78.174   13.956 -25.74230 21.71988 
1 1 1    3   15   68 o   74.149   14.514   43.825   14.061   0.0000   0.0000   43.825   14.061  ?   ?    74.149   14.514      ?      ? 
1 1 1    3   15   69 o  100.852   11.448   75.737   15.645   0.0000   0.0000   75.737   15.645  ?   ?   100.852   11.448      ?      ? 
1 1 1    3   15   70 o   37.344   10.569   8.2287   8.0898   7.6754   11.009   8.8783   11.928   36.497   14.630   38.191   15.257 -1.693790 21.13817 
1 1 1    3   15   71 o   54.812   10.219   21.965   9.0155   5.0000   11.895   44.867   13.820   34.952   14.724   74.672   14.176 -39.72087 20.43891 
1 1 1    3   15   72 o   32.749   9.9458   2.1976   8.0035  -1.9643   10.781   7.3071   11.946   28.940   13.039   36.559   15.022 -7.618553 19.89151 
1 1 1    3   15   73 o   24.552   8.2850 -10.3020   7.5062 -10.8285   9.7381  -9.5312   11.782   22.853   10.955   26.252   12.432 -3.398773 16.57008 
1 1 1    3   15   74 o   28.996   9.3241  -3.1583   7.8751  -6.4718   10.208   1.7139   12.378   25.433   11.896   32.558   14.361 -7.125559 18.64824 
1 1 1    3   15   75 o   41.288   11.151   12.939   8.6843   8.5768   11.384   19.013   13.432   36.397   14.776   46.180   16.705 -9.782417 22.30186 
1 1 1    3   15   76 o   40.908   11.144   13.011   8.7311   8.6322   11.476   19.028   13.453   36.158   14.775   45.658   16.687 -9.500519 22.28827 
1 1 1    3   15   77 o   33.034   10.139   4.5172   8.4093   4.8843   11.448   4.0870   12.394   32.936   14.177   33.132   14.500 -0.1963005 20.27848 
1 1 1    3   15   78 o   45.884   11.293   19.943   9.2507   28.109   12.750   10.866   13.442   53.946   16.166   37.823   15.774 16.12364 22.58646 
1 1 1    3   15   79 o   37.651   15.318   11.869   12.267   11.869   12.267   0.0000   0.0000   37.651   15.318  ?   ?       ?      ? 
1 1 1    3   15   80 o   31.870   14.200   4.1956   12.406   4.1956   12.406   0.0000   0.0000   31.870   14.200  ?   ?       ?      ? 
1 1 1    3   16    0 o  300.256   5.2159  611.751   21.184  595.867   28.948  630.066   31.084  296.088   7.2146  304.424   7.5348 -8.335358 10.43185 
1 1 1    3   16    1 o  270.916   5.0622  498.318   18.555  490.125   25.446  507.622   27.116  268.559   6.9919  273.272   7.3224 -4.712799 10.12444 
1 1 1    3   16    2 f  164.539   4.9802  183.477   11.057  178.767   14.882  189.282   16.521  162.206   6.7701  166.871   7.3059 -4.664536 9.960458 
1 1 1    3   16    3 o  149.827   5.0434  152.645   10.200  153.434   13.846  151.708   15.083  150.272   6.7991  149.382   7.4510 0.8893738 10.08688 
1 1 1    3   16    4 o  207.772   4.8636  293.442   13.663  294.876   18.727  291.809   19.978  208.336   6.6331  207.208   7.1147 1.127960 9.727117 
1 1 1    3   16    5 o  169.070   4.9132  193.199   11.208  183.632   15.033  205.172   16.818  164.397   6.7479  173.743   7.1432 -9.345322 9.826466 
1 1 1    3   16    6 o   87.086   6.5125   52.639   7.5320   58.793   10.112   44.971   11.288   92.967   8.0267   81.206   10.258 11.76082 13.02502 
1 1 1    3   16    7 o  163.011   4.9768  180.758   10.936  182.190   14.764  179.017   16.280  163.753   6.6530  162.268   7.4035 1.485107 9.953577 
1 1 1    3   16    8 o  279.490   5.1001  531.799   19.287  555.747   26.991  506.812   27.570  285.960   6.9651  273.020   7.4519 12.93976 10.20012 
1 1 1    3   16    9 o  121.084   5.5196  100.515   8.9594  106.299   12.045   93.350   13.405  125.054   7.1075  117.113   8.4467 7.940834 11.03914 
1 1 1    3   16   10 o  189.314   4.9365  243.037   12.631  236.390   17.157  250.904   18.664  186.510   6.7882  192.118   7.1691 -5.607788 9.872996 
1 1 1    3   16   11 o  274.141   5.1248  511.288   19.022  521.102   26.510  500.875   27.309  276.877   7.0655  271.405   7.4251 5.472198 10.24959 
1 1 1    3   16   12 o  184.314   6.0304  232.569   14.537  226.213   23.745  236.378   18.385  182.170   9.6187  186.457   7.2761 -4.287186 12.06073 
1 1 1    3   16   13 o  167.245   6.4988  200.999   13.194  216.661   15.881  166.101   23.705  178.565   6.5629  155.924   11.219 22.64142 12.99755 
1 1 1    3   16   14 o  105.364   7.3697   79.238   9.3291   83.874   11.094   68.043   17.239  111.058   7.3715   99.669   12.764 11.38849 14.73938 
1 1 1    3   16   15 o   95.868   6.7182   55.009   7.3794   49.277   8.2599   77.675   16.425   85.132   7.1598  106.603   11.370 -21.47043 13.43633 
1 1 1    3   16   16 o   62.031   8.6375   19.620   6.2283   13.506   6.9576   44.281   13.974   43.675   11.571   80.387   12.827 -36.71245 17.27506 
1 1 1    3   16   17 o   68.920   9.4682   43.320   7.1067   51.341   8.0932   16.302   14.853   86.904   6.8722   50.936   17.645 35.96809 18.93638 
1 1 1    3   16   18 o  223.032   5.8519  345.429   14.940  351.560   17.137  326.005   30.503  227.535   5.5577  218.529   10.300 9.006378 11.70390 
1 1 1    3   16   19 o  207.475   5.8090  292.535   13.725  292.071   15.629  294.101   28.692  207.388   5.5610  207.562   10.201 -0.1740112 11.61795 
1 1 1    3   16   20 o  109.980   7.0072   86.285   8.6181   89.457   9.8449   75.884   17.828  114.734   6.3319  105.226   12.502 9.508064 14.01431 
1 1 1    3   16   21 o  206.247   6.2738  297.688   16.221  311.846   19.794  268.731   28.307  214.162   6.8203  198.332   10.532 15.82939 12.54768 
1 1 1    3   16   22 o  249.630   5.9549  428.661   17.061  432.421   19.546  416.628   34.965  252.313   5.7165  246.948   10.448 5.364563 11.90974 
1 1 1    3   16   23 o  175.462   5.6640  209.120   13.468  209.120   13.468   0.0000   0.0000  175.462   5.6640  ?   ?       ?      ? 
1 1 1    3   16   24 o  129.286   6.1546  113.593   10.783  113.593   10.783   0.0000   0.0000  129.286   6.1546  ?   ?       ?      ? 
1 1 1    3   16   25 o   72.427   10.058   45.160   8.9787   58.860   10.938   16.862   15.720   92.923   8.6865   51.931   18.144 40.99181 20.11600 
1 1 1    3   16   26 o  134.794   7.9558  123.748   14.532  123.748   14.532   0.0000   0.0000  134.794   7.9558  ?   ?       ?      ? 
1 1 1    3   16   27 o  189.592   5.8496  244.246   15.029  244.246   15.029   0.0000   0.0000  189.592   5.8496  ?   ?       ?      ? 
1 1 1    3   16   28 o  157.253   6.1463  172.720   11.093  176.536   12.755  160.872   22.475  161.180   5.8398  153.325   10.817 7.854858 12.29256 
1 1 1    3   16   29 o  121.223   7.2770  115.399   9.5579  129.454   11.098   75.033   18.807  138.012   5.9339  104.434   13.289 33.57835 14.55397 
1 1 1    3   16   30 o  149.174   5.9373  145.592   10.417  139.768   11.936  164.209   21.340  143.383   6.1429  154.965   10.162 -11.58151 11.87451 
1 1 1    3   16   31 o  118.490   7.7013   95.752   12.336   90.396   16.745  102.109   18.242  114.898   10.754  122.083   11.026 -7.184898 15.40256 
1 1 1    3   16   32 f  117.935   6.5352   98.382   8.9645  101.893   10.411   88.316   17.628  122.402   6.2766  113.467   11.465 8.935951 13.07040 
1 1 1    3   16   33 o   37.922   9.6624   8.5867   6.3708   11.572   7.4805   0.7029   12.156   40.895   12.412   34.949   14.812 5.946236 19.32478 
1 1 1    3   16   34 o  105.486   6.6562   76.042   8.3493   76.012   9.7117   76.128   16.346  105.671   6.7820  105.300   11.455 0.3707275 13.31236 
1 1 1    3   16   35 o  155.122   5.9320  164.331   10.858  164.415   12.580  164.084   21.502  155.482   5.9704  154.762   10.252 0.7201233 11.86406 
1 1 1    3   16   36 o  191.611   5.8940  257.023   13.255  263.819   15.422  237.804   25.935  196.961   5.7780  186.262   10.275 10.69870 11.78808 
1 1 1    3   16   37 o  111.531   6.9099   87.207   9.2629   89.713   10.925   80.801   17.468  114.741   7.0265  108.321   11.900 6.420250 13.81974 
1 1 1    3   16   38 o  142.558   8.0164  138.010   15.341  153.115   23.754  127.203   20.093  149.078   11.758  136.037   10.899 13.04031 16.03271 
1 1 1    3   16   39 o  177.063   6.1742  207.495   14.170  192.019   17.369  238.294   24.502  167.715   7.6421  186.410   9.6995 -18.69531 12.34833 
1 1 1    3   16   40 o  110.645   7.3176   88.117   10.280   98.130   12.969   71.190   16.862  119.824   7.9872  101.466   12.264 18.35788 14.63525 
1 1 1    3   16   41 o   88.924   7.9438   54.786   9.2061   55.408   11.580   53.717   15.177   89.840   9.5114   88.008   12.726 1.832390 15.88753 
1 1 1    3   16   42 o  101.498   7.0450   72.383   8.6126   74.307   10.168   67.499   16.203  104.304   7.1936   98.692   12.115 5.612122 14.09001 
1 1 1    3   16   43 f  108.836   6.4917   77.595   8.6547   72.927   10.116   90.343   16.718  103.299   7.2264  114.373   10.786 -11.07382 12.98340 
1 1 1    3   16   44 o   80.176   7.5944   37.971   7.5195   29.679   8.7094   62.249   14.903   65.628   9.7931   94.724   11.610 -29.09640 15.18871 
1 1 1    3   16   45 o  137.595   6.3585  129.266   11.856  129.266   11.856   0.0000   0.0000  137.595   6.3585  ?   ?       ?      ? 
1 1 1    3   16   46 o   92.205   7.5842   57.691   8.3201   56.340   9.6348   61.652   16.499   90.619   7.8458   93.790   12.982 -3.170395 15.16845 
1 1 1    3   16   47 f   78.389   8.3904   45.149   7.6715   47.364   9.1247   39.807   14.169   83.011   8.1115   73.767   14.690 9.244949 16.78076 
1 1 1    3   16   48 o  104.135   6.9293   77.886   8.6086   81.355   10.166   69.092   16.185  108.969   6.8843   99.301   12.028 9.668373 13.85856 
1 1 1    3   16   49 o   84.438   8.0485   53.937   7.7836   58.646   9.2890   42.837   14.262   92.390   7.4192   76.486   14.285 15.90436 16.09698 
1 1 1    3   16   50 o   61.278   9.2188   27.005   7.0134   26.146   8.4846   28.856   12.462   60.341   10.771   62.216   14.964 -1.875271 18.43760 
1 1 1    3   16   51 o   89.077   7.4619   56.094   8.5783   57.505   10.712   53.570   14.323   91.116   8.6756   87.038   12.143 4.077606 14.92381 
1 1 1    3   16   52 o   93.936   5.8729   61.767   7.3868   55.027   10.908   67.476   10.039   88.962   9.0481   98.910   7.4898 -9.948013 11.74584 
1 1 1    3   16   53 o   48.633   8.7593   17.849   5.8705   13.502   8.8276   21.297   7.8607   43.237   13.547   54.029   11.107 -10.79193 17.51868 
1 1 1    3   16   54 o   27.286   8.2696   0.1621   5.4113   1.4067   8.3036  -0.7566   7.1343   29.187   12.299   25.386   11.058 3.801117 16.53913 
1 1 1    3   16   55 o   38.637   10.319   7.3047   6.5132   13.820   13.310   5.2533   7.4685   45.445   16.600   31.830   12.261 13.61526 20.63717 
1 1 1    3   16   56 o   39.598   10.406   8.6926   6.6689   13.719   13.266   6.9927   7.7146   45.139   16.560   34.057   12.605 11.08202 20.81112 
1 1 1    3   16   57 o   67.630   9.5492   35.274   7.6979   31.469   14.479   36.773   9.0887   63.025   16.690   72.235   9.2849 -9.210228 19.09844 
1 1 1    3   16   58 o   41.499   10.711   8.4880   8.2996   20.764   13.102   0.2615   10.726   51.643   16.544   31.355   13.609 20.28742 21.42192 
1 1 1    3   16   59 o   65.472   10.505   33.605   9.4533   23.405   13.501   43.415   13.241   54.167   16.718   76.777   12.726 -22.61013 21.01096 
1 1 1    3   16   60 o   45.058   10.024   11.924   6.8481   26.500   12.322   5.4097   8.2375   57.654   15.456   32.462   12.770 25.19239 20.04893 
1 1 1    3   16   61 o   66.262   10.667   34.989   9.3582   32.946   13.657   36.798   12.849   63.905   15.847   68.619   14.283 -4.713951 21.33407 
1 1 1    3   16   62 o   72.803   10.161   41.494   9.6600   43.916   14.058   39.328   13.297   74.854   14.381   70.752   14.359 4.101425 20.32220 
1 1 1    3   16   63 o   74.034   10.201   43.027   10.001   36.586   14.126   49.501   14.162   66.997   15.813   81.072   12.891 -14.07539 20.40189 
1 1 1    3   16   64 o   50.229   10.418   18.262   8.8613   35.028   12.862   3.1138   12.226   66.059   14.742   34.399   14.725 31.66026 20.83598 
1 1 1    3   16   65 o   45.134   11.392   15.291   8.9854   21.165   13.107   10.082   12.342   50.526   16.575   39.741   15.632 10.78543 22.78377 
1 1 1    3   16   66 o   48.859   16.166   19.696   12.458   0.0000   0.0000   19.696   12.458  ?   ?    48.859   16.166      ?      ? 
1 1 1    3   16   67 o   57.754   10.589   27.381   9.3248   11.671   13.027   43.889   13.354   41.158   16.099   74.349   13.761 -33.19024 21.17849 
1 1 1    3   16   68 o   68.231   10.706   38.453   9.6388   36.278   13.376   40.802   13.902   66.076   15.248   70.385   15.032 -4.309593 21.41174 
1 1 1    3   16   69 o   54.341   11.239   25.454   8.8908   28.966   12.402   21.742   12.752   58.440   15.432   50.242   16.343 8.198326 22.47754 
1 1 1    3   16   70 o   43.985   11.282   15.799   8.6600   14.385   11.836   17.427   12.705   42.450   15.631   45.520   16.273 -3.070034 22.56391 
1 1 1    3   16   71 o   31.073   9.4170  -4.8976   7.9625 -18.3140   10.529   13.028   12.170   21.196   10.430   40.949   15.682 -19.75313 18.83400 
1 1 1    3   16   72 o   37.703   10.612   8.2001   8.4613   1.0366   11.331   17.229   12.721   30.863   13.671   44.543   16.235 -13.67951 21.22402 
1 1 1    3   16   73 o   42.518   11.189   14.271   8.9802   6.8070   12.132   23.318   13.356   35.177   14.847   49.860   16.744 -14.68322 22.37871 
1 1 1    3   16   74 o   45.492   10.906   18.095   9.0247   29.066   12.470   6.0296   13.077   56.096   15.755   34.888   15.084 21.20774 21.81185 
1 1 1    3   16   75 o   45.593   11.494   19.981   8.9430   19.717   12.196   20.288   13.153   45.489   15.976   45.697   16.531 -0.2086983 22.98893 
1 1 1    3   16   76 o   32.859   10.165   4.9855   8.6709   7.4518   11.927   2.2206   12.628   34.279   14.605   31.439   14.143 2.839581 20.33050 
1 1 1    3   16   77 o   28.713   9.3418  -1.6566   8.5650   3.5462   11.540  -8.0377   12.780   30.978   13.755   26.448   12.644 4.529507 18.68350 
1 1 1    3   17    0 o  148.980   5.1912  151.087   10.428  152.032   14.085  149.941   15.513  149.526   6.9510  148.434   7.7123 1.092743 10.38248 
1 1 1    3   17    1 o  155.825   5.2215  165.274   11.003  166.576   15.109  163.804   16.054  156.501   7.1244  155.150   7.6355 1.350662 10.44309 
1 1 1    3   17    2 f  158.385   6.2165  174.204   12.936  156.169   20.382  186.369   16.740  151.264   9.9435  165.507   7.4639 -14.24324 12.43308 
1 1 1    3   17    3 o  146.491   6.3640  148.786   12.276  134.506   19.279  158.525   15.922  140.359   10.136  152.622   7.6981 -12.26273 12.72795 
1 1 1    3   17    4 o  174.914   6.0981  208.461   14.034  208.419   22.746  208.487   17.834  174.784   9.6033  175.044   7.5182 -0.2602386 12.19619 
1 1 1    3   17    5 o  175.312   7.2546  210.839   17.095  218.375   23.012  201.562   25.535  178.922   9.4911  171.702   10.974 7.219879 14.50912 
1 1 1    3   17    6 o  163.798   6.3808  176.458   12.846  168.205   15.082  198.256   24.512  157.262   7.0772  170.333   10.619 -13.07040 12.76162 
1 1 1    3   17    7 o  136.486   6.6561  121.903   11.074  115.735   12.922  138.962   21.489  130.430   7.3107  142.542   11.125 -12.11203 13.31215 
1 1 1    3   17    8 o  164.797   6.4970  189.118   13.073  194.589   15.564  176.017   24.086  169.168   6.7894  160.426   11.079 8.742554 12.99405 
1 1 1    3   17    9 o  132.266   7.0283  123.094   11.198  127.838   13.258  111.288   20.914  137.090   7.1365  127.441   12.110 9.648201 14.05655 
1 1 1    3   17   10 o  147.850   6.6123  151.434   12.001  154.758   14.312  143.563   22.023  150.844   7.0016  144.855   11.219 5.988083 13.22457 
1 1 1    3   17   11 o  190.517   6.1514  239.293   14.635  227.440   17.377  268.224   27.147  182.862   7.0124  198.172   10.109 -15.31035 12.30279 
1 1 1    3   17   12 o  123.363   6.9406   97.567   10.700   88.629   12.620  120.422   20.181  114.070   8.1642  132.655   11.226 -18.58564 13.88113 
1 1 1    3   17   13 o  149.764   6.5941  146.139   12.373  135.977   14.674  171.130   23.012  141.332   7.6619  158.197   10.734 -16.86513 13.18829 
1 1 1    3   17   14 o  189.661   6.4520  244.363   15.317  242.756   18.395  247.997   27.658  188.889   7.1865  190.434   10.718 -1.545013 12.90395 
1 1 1    3   17   15 o  100.304   8.0981   72.445   8.9936   75.358   10.248   62.685   18.758  105.239   7.1861   95.368   14.515 9.870392 16.19617 
1 1 1    3   17   16 o  223.475   7.0889  339.789   21.468  339.789   21.468   0.0000   0.0000  223.475   7.0889  ?   ?       ?      ? 
1 1 1    3   17   17 o  161.068   6.0196  176.314   13.139  176.314   13.139   0.0000   0.0000  161.068   6.0196  ?   ?       ?      ? 
1 1 1    3   17   18 o   97.953   7.2730   65.302   9.6541   65.302   9.6541   0.0000   0.0000   97.953   7.2730  ?   ?       ?      ? 
1 1 1    3   17   19 f  243.084   5.9667  401.826   16.579  400.968   18.908  404.681   34.480  242.920   5.7439  243.247   10.460 -0.3268433 11.93347 
1 1 1    3   17   20 o  226.079   5.9385  347.795   15.358  347.227   17.524  349.673   31.892  226.053   5.7206  226.105   10.409 -0.5180359E-01 11.87709 
1 1 1    3   17   21 f  155.886   6.0615  161.073   10.791  157.236   12.240  174.469   22.869  152.097   5.9384  159.676   10.569 -7.578903 12.12308 
1 1 1    3   17   22 o   73.397   9.3652   39.932   7.4210   41.646   8.4245   33.995   15.678   78.175   7.9523   68.618   16.958 9.557213 18.73033 
1 1 1    3   17   23 o  134.389   6.1997  117.270   9.6829  112.031   11.020  135.023   20.283  128.348   6.3357  140.430   10.659 -12.08206 12.39946 
1 1 1    3   17   24 o  108.735   7.2204   78.753   10.066   74.582   12.233   87.497   17.713  104.548   8.6346  112.923   11.575 -8.375694 14.44071 
1 1 1    3   17   25 o  124.229   7.7307  105.346   12.984   99.545   17.637  112.210   19.184  120.529   10.798  127.930   11.066 -7.401825 15.46145 
1 1 1    3   17   26 o  120.013   7.8624   99.028   12.750  102.753   17.598   94.911   18.499  122.461   10.604  117.565   11.611 4.895844 15.72476 
1 1 1    3   17   27 o  109.486   7.4418   82.754   10.357   83.950   12.679   80.354   17.957  110.904   8.4361  108.067   12.262 2.837555 14.88370 
1 1 1    3   17   28 o  117.081   7.1053   96.824   10.475  102.649   12.883   85.461   17.994  122.692   7.7484  111.469   11.912 11.22323 14.21066 
1 1 1    3   17   29 o  150.545   6.6710  157.451   12.604  161.654   15.305  148.596   22.216  154.004   7.3338  147.086   11.146 6.917801 13.34205 
1 1 1    3   17   30 o  164.053   6.5124  189.571   13.517  200.842   16.690  168.080   23.046  171.662   7.1745  156.445   10.871 15.21678 13.02474 
1 1 1    3   17   31 o  113.598   8.8924   88.164   13.487  111.631   20.126   69.036   18.170  127.325   11.664   99.870   13.426 27.45507 17.78485 
1 1 1    3   17   32 o  175.542   10.831  211.853   25.765  211.853   25.765   0.0000   0.0000  175.542   10.831  ?   ?       ?      ? 
1 1 1    3   17   33 o  189.689   6.5064  252.452   15.729  265.583   19.510  228.069   26.585  197.293   7.2973  182.085   10.774 15.20822 13.01282 
1 1 1    3   17   34 o   90.661   7.4636   52.533   8.1870   48.144   9.4550   65.684   16.366   83.893   8.3168   97.430   12.396 -13.53655 14.92715 
1 1 1    3   17   35 o  111.359   6.9412   88.671   8.9714   92.303   10.429   78.336   17.594  116.345   6.6148  106.373   12.205 9.972031 13.88234 
1 1 1    3   17   36 o  111.988   6.4000   80.102   8.6181   73.861   9.9247   99.234   17.377  104.010   7.0414  119.966   10.689 -15.95551 12.79999 
1 1 1    3   17   37 o   55.607   8.9851   27.318   7.0601   36.318   8.2932   3.6235   13.457   72.793   8.4072   38.421   15.882 34.37135 17.97012 
1 1 1    3   17   38 o   56.330   10.038   21.580   6.9761   19.816   8.1213   26.544   13.625   52.468   11.718   60.193   16.302 -7.725723 20.07653 
1 1 1    3   17   39 o  141.536   6.6508  138.441   12.198  139.699   15.222  136.184   20.392  142.778   7.8671  140.294   10.726 2.484283 13.30164 
1 1 1    3   17   40 o  125.149   6.7051  107.057   11.371  107.057   11.371   0.0000   0.0000  125.149   6.7051  ?   ?       ?      ? 
1 1 1    3   17   41 o   89.931   7.9819   55.527   9.7275   55.527   9.7275   0.0000   0.0000   89.931   7.9819  ?   ?       ?      ? 
1 1 1    3   17   42 o   89.009   8.2559   60.156   8.1610   64.874   9.5695   47.572   15.628   97.282   7.2590   80.736   14.830 16.54612 16.51171 
1 1 1    3   17   43 o   63.271   9.2753   24.995   7.1500   18.726   8.3737   41.866   13.737   50.692   12.312   75.850   13.876 -25.15778 18.55063 
1 1 1    3   17   44 o   65.800   9.0840   31.104   7.1603   31.104   8.4442   31.104   13.508   67.023   9.2973   64.577   15.609 2.445915 18.16806 
1 1 1    3   17   45 o   58.544   9.3914   25.101   6.9035   25.722   8.2338   23.632   12.667   60.794   9.9945   56.294   15.903 4.499615 18.78280 
1 1 1    3   17   46 o   66.758   8.6713   31.651   6.9954   31.071   8.3175   33.053   12.931   66.902   9.1742   66.614   14.717 0.2877197 17.34257 
1 1 1    3   17   47 o   35.801   8.8888   7.2385   6.2517   13.910   7.6187  -6.5130   10.938   43.651   12.334   27.951   12.803 15.69912 17.77758 
1 1 1    3   17   48 f   31.503   9.1733   2.9759   6.0231   2.8691   7.3713   3.1905   10.448   29.253   11.885   33.753   13.977 -4.500200 18.34661 
1 1 1    3   17   49 o   45.977   9.7814   14.189   6.2493   11.373   7.5292   20.426   11.204   39.863   12.515   52.091   15.036 -12.22789 19.56285 
1 1 1    3   17   50 o   54.861   9.6556   20.453   6.7383   16.479   8.0410   29.826   12.349   47.085   12.422   62.637   14.785 -15.55183 19.31116 
1 1 1    3   17   51 o   55.869   10.554   24.096   8.2395   28.045   11.304   19.618   12.036   60.852   13.999   50.886   15.798 9.966404 21.10807 
1 1 1    3   17   52 o   79.177   8.2274   44.422   8.7677   39.659   11.619   50.721   13.362   74.354   11.531   84.001   11.739 -9.647438 16.45473 
1 1 1    3   17   53 o   66.981   9.6599   35.140   8.4598   42.216   11.165   25.600   12.964   76.873   10.717   57.090   16.075 19.78244 19.31979 
1 1 1    3   17   54 o   78.761   9.7015   45.822   10.075   52.101   15.560   41.290   13.220   83.796   13.703   73.726   13.737 10.07063 19.40308 
1 1 1    3   17   55 o   65.156   11.192   34.061   9.8147   29.821   14.499   37.647   13.334   60.671   16.971   69.641   14.596 -8.969814 22.38390 
1 1 1    3   17   56 o   59.463   11.443   28.643   9.5107   25.642   13.820   31.343   13.109   56.214   16.827   62.713   15.511 -6.498997 22.88562 
1 1 1    3   17   57 o   68.203   10.526   36.600   9.4319   38.876   13.955   34.685   12.798   70.034   15.144   66.372   14.623 3.662170 21.05232 
1 1 1    3   17   58 o   79.862   9.3889   48.620   9.8420   47.560   14.762   49.467   13.205   77.892   14.519   81.833   11.908 -3.940521 18.77774 
1 1 1    3   17   59 o   47.111   11.292   16.868   8.5989   22.263   13.175   12.864   11.350   52.108   16.579   42.114   15.337 9.994129 22.58473 
1 1 1    3   17   60 o   35.684   10.353   5.4420   8.2557  -0.3791   12.553   9.8789   10.959   32.522   14.398   38.845   14.880 -6.323578 20.70583 
1 1 1    3   17   61 o   50.795   9.9686   16.757   8.6745   39.439   13.247  -0.2706   11.478   70.335   14.383   31.256   13.806 39.07857 19.93726 
1 1 1    3   17   62 o   44.686   10.930   15.176   8.5010   7.8751   12.194   22.079   11.857   37.713   15.299   51.658   15.615 -13.94456 21.86027 
1 1 1    3   17   63 o   42.896   15.596   14.079   11.730   0.0000   0.0000   14.079   11.730  ?   ?    42.896   15.596      ?      ? 
1 1 1    3   17   64 o   53.336   15.960   24.102   12.433   0.0000   0.0000   24.102   12.433  ?   ?    53.336   15.960      ?      ? 
1 1 1    3   17   65 o   40.123   10.856   11.549   8.2800   13.257   11.500   9.7106   11.931   41.648   15.395   38.598   15.310 3.049381 21.71171 
1 1 1    3   17   66 o   55.868   10.987   26.001   9.0358   16.200   12.192   37.944   13.459   44.454   15.936   67.283   15.128 -22.82874 21.97322 
1 1 1    3   17   67 o   30.388   9.4910  -1.0224   7.9061  -7.3714   10.956   5.8757   11.420   26.080   12.238   34.696   14.510 -8.616146 18.98207 
1 1 1    3   17   68 o   34.771   10.259   5.1564   8.2704  -0.5759   11.384   11.563   12.035   30.066   13.484   39.475   15.465 -9.409536 20.51785 
1 1 1    3   17   69 o   56.120   11.430   28.704   9.2345   31.769   12.862   25.442   13.266   59.750   15.686   52.491   16.629 7.259892 22.85993 
1 1 1    3   17   70 o   49.136   11.564   22.316   9.0851   18.615   12.570   26.364   13.146   45.285   16.187   52.988   16.521 -7.703354 23.12875 
1 1 1    3   17   71 o   44.222   11.490   18.009   9.0304   16.373   12.380   19.868   13.202   42.651   15.932   45.793   16.562 -3.142731 22.98045 
1 1 1    3   17   72 o   53.450   11.583   28.186   9.4384   33.751   13.101   22.181   13.609   59.731   15.903   47.170   16.844 12.56137 23.16542 
1 1 1    3   17   73 f   45.026   11.563   19.734   9.3635   13.232   12.792   27.240   13.744   38.838   15.699   51.215   16.981 -12.37687 23.12627 
1 1 1    3   17   74 o   47.586   10.859   19.686   9.6434   2.0743   12.991   41.303   14.392   31.128   14.140   64.045   16.486 -32.91640 21.71894 
1 1 1    3   18    0 o  265.983   5.2237  482.921   18.778  506.559   26.069  457.430   27.071  272.823   7.0513  259.144   7.7088 13.67856 10.44731 
1 1 1    3   18    1 o  210.424   5.1472  301.801   14.627  306.220   19.965  296.679   21.492  212.133   6.9451  208.715   7.5987 3.418869 10.29443 
1 1 1    3   18    2 o  107.595   6.2200   77.314   8.9727   66.042   11.750   93.079   13.897   98.386   8.8132  116.804   8.7795 -18.41844 12.43995 
1 1 1    3   18    3 o  198.792   5.1618  268.209   13.858  259.595   18.716  278.661   20.617  195.299   7.0719  202.285   7.5211 -6.985779 10.32366 
1 1 1    3   18    4 o  185.379   5.1857  233.826   12.955  232.581   17.404  235.373   19.399  184.872   6.9471  185.886   7.7010 -1.014221 10.37150 
1 1 1    3   18    5 o  117.634   5.8860   93.570   9.3137   88.356   12.314  100.540   14.237  113.866   7.9804  121.402   8.6541 -7.536430 11.77198 
1 1 1    3   18    6 o  130.024   5.6640  116.164   9.8681  122.898   13.251  107.781   14.785  134.354   7.2782  125.693   8.6804 8.660950 11.32796 
1 1 1    3   18    7 o  149.747   6.6114  154.719   12.287  157.148   14.745  149.201   22.227  151.936   7.1617  147.559   11.116 4.376740 13.22289 
1 1 1    3   18    8 o   83.916   8.6396   46.602   8.9231   44.305   10.485   52.636   16.991   80.520   9.6094   87.311   14.361 -6.790901 17.27927 
1 1 1    3   18    9 o  120.590   7.5289  105.025   10.822  112.141   12.853   87.684   20.064  128.323   7.3910  112.857   13.119 15.46558 15.05778 
1 1 1    3   18   10 o  187.480   6.3022  232.465   14.661  222.053   17.341  258.565   27.456  180.604   7.0852  194.356   10.424 -13.75143 12.60435 
1 1 1    3   18   11 o  191.336   5.1917  250.060   13.389  257.279   18.175  241.495   19.798  194.421   6.8984  188.250   7.7607 6.170746 10.38347 
1 1 1    3   18   12 o  219.959   6.4343  332.553   17.503  335.702   20.916  325.194   31.972  222.070   6.9503  217.847   10.830 4.223618 12.86865 
1 1 1    3   18   13 o  183.884   6.2703  237.204   12.762  242.130   14.457  219.823   27.158  188.742   5.6523  179.025   11.195 9.717468 12.54062 
1 1 1    3   18   14 o  164.206   6.4063  191.388   11.602  197.021   13.159  171.719   24.591  170.247   5.7037  158.165   11.473 12.08170 12.81254 
1 1 1    3   18   15 o  132.886   6.8115  124.142   9.8873  126.612   11.147  115.031   21.410  136.447   6.0286  129.324   12.217 7.122940 13.62303 
1 1 1    3   18   16 o  120.596   7.0358  103.352   9.2875  106.224   10.502   93.042   19.895  124.962   6.2017  116.231   12.631 8.730553 14.07167 
1 1 1    3   18   17 o  125.621   6.9122  113.545   9.5455  117.934   10.844   98.436   20.119  131.675   6.0770  119.567   12.417 12.10806 13.82434 
1 1 1    3   18   18 o   69.520   9.9266   40.369   7.4749   45.116   8.4412   23.122   16.089   81.344   7.6577   57.696   18.317 23.64818 19.85316 
1 1 1    3   18   19 o   61.437   10.039   27.241   7.3551   28.056   8.4237   24.628   15.089   64.017   9.7101   58.857   17.575 5.160233 20.07889 
1 1 1    3   18   20 o   76.560   10.976   42.214   10.959   42.773   14.855   41.546   16.234   77.309   14.717   75.811   16.288 1.498314 21.95167 
1 1 1    3   18   21 o   88.199   7.7792   52.186   8.0857   50.930   9.3101   56.043   16.311   86.382   7.9534   90.016   13.372 -3.634338 15.55837 
1 1 1    3   18   22 o   81.011   8.9317   49.644   7.8337   52.943   9.0271   39.586   15.764   88.094   7.5617   73.929   16.184 14.16430 17.86344 
1 1 1    3   18   23 o   84.861   7.6998   45.045   7.7402   40.873   8.8196   59.029   16.147   77.330   8.4162   92.392   12.896 -15.06181 15.39958 
1 1 1    3   18   24 o   73.505   9.4472   41.548   7.6369   44.671   8.7849   31.888   15.452   80.864   8.0168   66.146   17.109 14.71767 18.89447 
1 1 1    3   18   25 o   88.139   9.5876   70.119   8.4041   83.713   9.7631   31.231   16.513  110.842   6.4999   65.436   18.040 45.40517 19.17527 
1 1 1    3   18   26 o  128.501   6.4511  112.940   9.6942  112.710   11.177  113.638   19.479  128.609   6.4129  128.394   11.196 0.2148743 12.90219 
1 1 1    3   18   27 o  113.304   7.2649   88.916   10.506   90.167   12.912   86.467   18.071  114.787   8.3006  111.822   11.926 2.965858 14.52990 
1 1 1    3   18   28 o   93.721   7.8722   61.759   9.4209   64.277   11.675   57.059   15.951   96.821   8.8981   90.620   12.989 6.201729 15.74436 
1 1 1    3   18   29 o   50.732   9.5632   20.110   6.8145   24.146   7.9063   8.4523   13.439   59.243   9.8481   42.220   16.396 17.02338 19.12634 
1 1 1    3   18   30 o   41.175   10.329   8.2246   6.4640   5.4627   7.4290   16.832   13.115   32.585   12.306   49.765   16.593 -17.18022 20.65827 
1 1 1    3   18   31 o   31.986   9.3345   2.9176   6.1873   4.7274   7.2333  -2.0181   11.945   31.445   12.079   32.528   14.235 -1.083042 18.66898 
1 1 1    3   18   32 o   58.059   9.9396   24.648   7.1047   25.568   8.1887   21.845   14.289   60.884   9.9250   55.235   17.224 5.648869 19.87918 
1 1 1    3   18   33 o  122.150   6.5052  100.324   9.3235   97.976   10.715  107.648   18.921  119.749   6.6026  124.551   11.210 -4.801743 13.01036 
1 1 1    3   18   34 o   56.121   9.7589   25.195   7.3243   29.825   8.6292   13.262   13.853   65.724   9.6886   46.519   16.943 19.20563 19.51789 
1 1 1    3   18   35 o  123.072   6.6856  103.609   11.150  103.609   11.150   0.0000   0.0000  123.072   6.6856  ?   ?       ?      ? 
1 1 1    3   18   36 o   95.999   7.5856   63.255   9.8683   63.255   9.8683   0.0000   0.0000   95.999   7.5856  ?   ?       ?      ? 
1 1 1    3   18   37 o  118.466   8.5021   96.735   13.649   96.735   13.649   0.0000   0.0000  118.466   8.5021  ?   ?       ?      ? 
1 1 1    3   18   38 o   65.251   10.221   29.612   9.0375   29.612   9.0375   0.0000   0.0000   65.251   10.221  ?   ?       ?      ? 
1 1 1    3   18   39 o   66.306   9.4404   34.792   7.3309   38.361   8.5943   25.258   14.046   74.522   8.5103   58.090   16.854 16.43128 18.88090 
1 1 1    3   18   40 o   99.492   6.7007   65.510   8.1081   61.641   9.4393   76.400   15.835   94.650   7.3593  104.333   11.200 -9.682793 13.40133 
1 1 1    3   18   41 o   70.376   8.4255   32.753   7.0985   29.330   8.2685   42.347   13.843   64.928   9.3974   75.823   13.987 -10.89520 16.85094 
1 1 1    3   18   42 o   52.100   9.9195   20.381   6.6675   21.065   7.7715   18.474   12.978   53.813   11.028   50.388   16.492 3.425056 19.83894 
1 1 1    3   18   43 o   62.150   9.1402   27.616   6.8005   26.967   7.9372   29.406   13.188   62.145   9.4248   62.155   15.664 -0.9380341E-02 18.28045 
1 1 1    3   18   44 o   71.376   8.6086   37.416   7.2167   38.062   8.5251   35.783   13.556   73.977   8.5039   68.774   14.971 5.203522 17.21725 
1 1 1    3   18   45 o   61.186   9.3814   25.270   6.9309   21.595   8.1004   35.312   13.391   54.190   11.392   68.182   14.908 -13.99219 18.76283 
1 1 1    3   18   46 o   82.037   8.3072   48.679   8.9930   50.620   11.644   45.811   14.157   84.645   10.151   79.429   13.152 5.216698 16.61439 
1 1 1    3   18   47 o   42.039   9.2474   9.0751   7.7822   25.087   10.443 -10.9230   11.671   57.504   13.612   26.575   12.521 30.92841 18.49490 
1 1 1    3   18   48 o   77.609   8.4745   42.556   8.7811   37.932   11.297   49.614   13.957   72.608   11.482   82.610   12.468 -10.00166 16.94899 
1 1 1    3   18   49 o   44.465   10.756   13.971   7.7152   11.432   10.017   17.676   12.098   40.678   14.459   48.251   15.929 -7.572525 21.51252 
1 1 1    3   18   50 o   87.545   9.1881   56.246   10.855   63.748   15.977   49.813   14.795   93.118   12.661   81.972   13.319 11.14643 18.37617 
1 1 1    3   18   51 o   77.361   9.9998   45.307   10.235   51.756   15.121   39.854   13.905   83.306   13.394   71.415   14.852 11.89114 19.99962 
1 1 1    3   18   52 o   56.301   11.658   25.818   9.4837   23.992   13.969   27.378   12.917   54.328   17.045   58.273   15.910 -3.945587 23.31659 
1 1 1    3   18   53 o   52.969   14.013   22.075   10.214   22.075   10.214   0.0000   0.0000   52.969   14.013  ?   ?       ?      ? 
1 1 1    3   18   54 o   32.803   13.357   4.7341   9.3378   4.7341   9.3378   0.0000   0.0000   32.803   13.357  ?   ?       ?      ? 
1 1 1    3   18   55 o   82.095   10.051   48.782   11.182   48.782   11.182   0.0000   0.0000   82.095   10.051  ?   ?       ?      ? 
1 1 1    3   18   56 o   38.909   14.012   10.830   9.4358   10.830   9.4358   0.0000   0.0000   38.909   14.012  ?   ?       ?      ? 
1 1 1    3   18   57 o   68.209   16.092   38.562   14.633   38.562   14.633   0.0000   0.0000   68.209   16.092  ?   ?       ?      ? 
1 1 1    3   18   58 o   77.764   10.162   44.175   10.709   44.175   10.709   0.0000   0.0000   77.764   10.162  ?   ?       ?      ? 
1 1 1    3   18   59 o   46.406   17.212   17.140   14.400   17.140   14.400   0.0000   0.0000   46.406   17.212  ?   ?       ?      ? 
1 1 1    3   18   60 o   44.705   16.967   15.468   14.165   15.468   14.165   0.0000   0.0000   44.705   16.967  ?   ?       ?      ? 
1 1 1    3   18   61 o   62.026   17.029   33.726   14.750   33.726   14.750   0.0000   0.0000   62.026   17.029  ?   ?       ?      ? 
1 1 1    3   18   62 o   69.101   11.023   35.886   10.322   35.886   10.322   0.0000   0.0000   69.101   11.023  ?   ?       ?      ? 
1 1 1    3   18   63 o   50.030   16.395   21.978   12.824   21.978   12.824   0.0000   0.0000   50.030   16.395  ?   ?       ?      ? 
1 1 1    3   18   64 o   44.431   11.049   16.216   8.5525   10.070   11.947   22.677   12.249   38.226   15.270   50.635   15.972 -12.40852 22.09727 
1 1 1    3   18   65 o   36.078   9.9972   4.3762   8.2046  -8.5214   11.239   19.091   12.005   25.684   12.158   46.472   15.874 -20.78777 19.99439 
1 1 1    3   18   66 o   37.100   10.394   6.8706   8.4192  -2.9409   11.309   19.071   12.610   28.308   12.985   45.893   16.233 -17.58475 20.78744 
1 1 1    3   18   67 o   36.586   10.238   8.0591   8.3094   17.347   11.430  -2.3508   12.101   43.925   15.463   29.247   13.422 14.67745 20.47593 
1 1 1    3   18   68 o   30.842   9.6943   1.8456   8.1034   0.1058   10.993   3.9157   11.992   29.222   13.166   32.461   14.233 -3.239782 19.38853 
1 1 1    3   18   69 o   32.706   9.9912   5.0691   8.2263   8.6000   11.354   1.1678   11.935   34.999   14.538   30.414   13.709 4.585693 19.98232 
1 1 1    3   18   70 o   33.039   10.001   5.3394   8.2099  -0.8841   11.285   12.337   11.966   28.359   12.995   37.718   15.206 -9.359152 20.00221 
1 1 1    3   18   71 o   37.787   10.659   12.152   8.6223   4.8370   12.054   19.816   12.339   31.879   14.111   43.695   15.979 -11.81616 21.31829 
1 1 1    3   19    0 f  123.723   7.3430  106.182   11.982   99.749   18.958  110.461   15.461  120.372   11.622  127.075   8.9785 -6.703049 14.68607 
1 1 1    3   19    1 o  161.998   6.6730  181.463   14.204  172.130   22.765  187.412   18.176  158.329   10.610  165.667   8.0961 -7.337234 13.34610 
1 1 1    3   19    2 o  216.928   5.2367  320.809   15.341  319.405   20.825  322.475   22.684  216.467   7.0992  217.389   7.7002 -0.9229279 10.47339 
1 1 1    3   19    3 o  129.954   5.7946  114.436   10.081  109.787   13.152  121.058   15.696  126.846   7.6512  133.062   8.7045 -6.215752 11.58917 
1 1 1    3   19    4 o   98.243   6.8715   69.235   8.7200   83.510   11.607   50.740   13.212  110.617   7.7432   85.869   11.354 24.74780 13.74306 
1 1 1    3   19    5 o  155.727   5.4270  164.700   11.391  158.304   15.216  172.852   17.179  152.348   7.3704  159.106   7.9678 -6.758179 10.85400 
1 1 1    3   19    6 o  152.664   5.4604  158.679   11.244  155.128   15.118  163.077   16.822  150.803   7.3980  154.526   8.0331 -3.722870 10.92071 
1 1 1    3   19    7 o  104.004   6.3634   73.742   8.8977   71.833   11.796   76.263   13.553  102.505   8.4917  105.503   9.4796 -2.998039 12.72684 
1 1 1    3   19    8 o  121.890   5.9671  101.924   9.7482  104.119   12.948   99.050   14.811  123.497   7.7370  120.283   9.0864 3.214447 11.93417 
1 1 1    3   19    9 o  170.279   5.3315  198.235   12.242  201.657   16.594  194.149   18.133  171.960   7.1210  168.597   7.9367 3.362930 10.66296 
1 1 1    3   19   10 o  144.490   5.5482  141.543   10.812  132.399   14.452  153.163   16.292  139.257   7.6585  149.723   8.0298 -10.46605 11.09638 
1 1 1    3   19   11 o   98.648   6.5835   65.772   8.7206   60.229   11.431   73.491   13.489   93.781   8.9946  103.514   9.6159 -9.733459 13.16692 
1 1 1    3   19   12 o   64.262   10.431   33.743   8.6997   40.731   10.317   16.542   16.185   77.028   9.8836   51.496   18.372 25.53145 20.86158 
1 1 1    3   19   13 o   99.113   7.5020   65.377   8.1599   63.867   9.1188   71.447   18.280   96.766   6.9540  101.460   13.295 -4.694496 15.00409 
1 1 1    3   19   14 o   90.663   9.3589   56.995   11.459   56.204   15.530   57.940   16.977   90.055   12.726   91.270   13.726 -1.214760 18.71779 
1 1 1    3   19   15 o  110.570   8.6238   82.837   12.764   67.783   16.818  103.288   19.602   98.902   12.548  122.237   11.833 -23.33514 17.24760 
1 1 1    3   19   16 o   94.279   9.1330   72.729   8.4753   80.111   9.6136   46.974   17.956  108.392   6.5449   80.165   17.053 28.22723 18.26600 
1 1 1    3   19   17 f   88.174   7.8578   49.311   7.9102   45.938   8.8947   62.067   17.298   81.941   8.0103   94.406   13.521 -12.46545 15.71563 
1 1 1    3   19   18 o   71.711   10.045   44.016   7.7847   49.742   8.8234   23.900   16.537   85.294   7.6338   58.128   18.583 27.16547 20.08960 
1 1 1    3   19   19 o  111.799   7.2158   85.536   9.1092   85.071   10.334   87.156   19.288  111.632   6.8314  111.966   12.712 -0.3347244 14.43158 
1 1 1    3   19   20 o  120.781   7.1712   97.813   10.886   93.502   13.013  107.864   19.868  116.817   8.2201  124.746   11.753 -7.929222 14.34238 
1 1 1    3   19   21 o   99.509   8.0666   69.902   10.030   72.192   12.170   65.050   17.714  102.547   8.7572   96.471   13.550 6.076141 16.13327 
1 1 1    3   19   22 o  109.800   8.2994   93.113   10.811  110.157   13.344   60.551   18.444  126.827   7.7642   92.773   14.671 34.05422 16.59886 
1 1 1    3   19   23 f  111.495   7.1600   86.167   8.9746   86.455   10.188   85.173   18.964  112.495   6.6828  110.494   12.665 2.001457 14.31992 
1 1 1    3   19   24 o   75.513   9.2593   42.132   7.7898   43.617   8.9746   37.595   15.686   79.707   8.3087   71.319   16.550 8.388405 18.51865 
1 1 1    3   19   25 o  115.750   7.1799   91.546   9.5216   90.590   10.857   94.733   19.815  115.073   6.9625  116.426   12.559 -1.353104 14.35974 
1 1 1    3   19   26 o  188.464   6.1268  241.818   13.308  239.491   15.213  249.402   27.464  187.307   5.9935  189.621   10.688 -2.313019 12.25368 
1 1 1    3   19   27 o  132.570   6.6377  120.265   10.193  119.259   11.685  123.466   20.845  132.061   6.5294  133.078   11.559 -1.017441 13.27538 
1 1 1    3   19   28 o  119.622   7.0502  102.262   9.6151  105.195   11.056   93.160   19.477  123.996   6.5799  115.249   12.471 8.746872 14.10038 
1 1 1    3   19   29 o  138.960   7.1803  143.598   10.828  151.209   12.311  117.598   22.753  148.733   6.1081  129.188   12.997 19.54486 14.36068 
1 1 1    3   19   30 o  108.780   6.9784   81.145   10.287   81.145   10.287   0.0000   0.0000  108.780   6.9784  ?   ?       ?      ? 
1 1 1    3   19   31 o   69.009   8.9093   32.933   8.3317   32.933   8.3317   0.0000   0.0000   69.009   8.9093  ?   ?       ?      ? 
1 1 1    3   19   32 f  116.118   6.6073   93.612   9.0179   93.702   10.439   93.345   17.902  116.908   6.5893  115.329   11.454 1.579102 13.21452 
1 1 1    3   19   33 o   68.093   9.2430   34.827   7.2380   36.235   8.4056   30.787   14.235   72.371   8.5708   63.814   16.379 8.556797 18.48591 
1 1 1    3   19   34 o   58.553   9.7386   23.931   6.8183   22.385   7.8651   28.610   13.678   55.633   10.822   61.472   16.194 -5.839199 19.47720 
1 1 1    3   19   35 o   67.905   9.2258   35.783   7.2723   38.509   8.5359   28.566   13.889   74.547   8.4496   61.263   16.403 13.28417 18.45151 
1 1 1    3   19   36 o   53.383   10.010   20.429   6.6895   19.597   7.7485   22.863   13.256   51.743   11.362   55.024   16.483 -3.280746 20.01914 
1 1 1    3   19   37 o   91.144   9.2190   74.460   8.3892   88.499   9.8267   36.728   16.110  113.471   6.3906   68.817   17.295 44.65409 18.43800 
1 1 1    3   19   38 o  117.898   6.4945   92.413   9.0129   87.864   10.324  106.996   18.482  112.922   6.7464  122.875   11.100 -9.952980 12.98907 
1 1 1    3   19   39 o   62.130   9.4342   29.851   7.1640   31.835   8.4870   24.933   13.362   67.410   9.2907   56.850   16.423 10.56070 18.86849 
1 1 1    3   19   40 f   90.376   7.4136   57.055   7.9379   56.193   9.2011   59.562   15.696   90.011   7.5433   90.740   12.765 -0.7287979 14.82723 
1 1 1    3   19   41 o  101.476   7.0247   71.574   8.4837   70.249   9.8482   75.388   16.705  100.679   7.2183  102.274   12.053 -1.595139 14.04935 
1 1 1    3   19   42 o   66.903   11.693   34.817   10.483   40.159   16.000   30.801   13.875   71.244   16.839   62.562   16.228 8.681938 23.38585 
1 1 1    3   19   43 o   89.491   14.071   59.521   17.064   59.521   17.064   0.0000   0.0000   89.491   14.071  ?   ?       ?      ? 
1 1 1    3   19   44 o   75.695   16.099   45.196   16.005   45.196   16.005   0.0000   0.0000   75.695   16.099  ?   ?       ?      ? 
1 1 1    3   19   45 o   39.896   10.985   7.7094   8.8533   16.026   13.247   0.9961   11.902   46.615   16.622   33.177   14.367 13.43850 21.97026 
1 1 1    3   19   46 o   45.370   10.681   14.822   7.6190   11.264   9.7959   20.270   12.122   40.081   14.293   50.658   15.875 -10.57670 21.36183 
1 1 1    3   19   47 o   51.599   10.781   20.549   7.8575   18.492   9.8942   24.061   12.929   48.650   14.155   54.547   16.264 -5.896935 21.56116 
1 1 1    3   19   48 o   31.810   9.5702   2.2148   7.1122   1.5429   9.2333   3.1951   11.153   30.014   12.821   33.606   14.212 -3.592140 19.14045 
1 1 1    3   19   49 o   38.129   14.003   9.9215   9.4902   9.9215   9.4902   0.0000   0.0000   38.129   14.003  ?   ?       ?      ? 
1 1 1    3   19   50 o   73.750   10.467   39.578   10.461   39.578   10.461   0.0000   0.0000   73.750   10.467  ?   ?       ?      ? 
1 1 1    3   19   51 o   32.621   13.146   5.1517   8.9409   5.1517   8.9409   0.0000   0.0000   32.621   13.146  ?   ?       ?      ? 
1 1 1    3   19   52 o   35.907   13.527   8.4379   8.9623   8.4379   8.9623   0.0000   0.0000   35.907   13.527  ?   ?       ?      ? 
1 1 1    3   19   53 o   39.202   13.587   11.455   8.8074   11.455   8.8074   0.0000   0.0000   39.202   13.587  ?   ?       ?      ? 
1 1 1    3   19   54 o   39.688   13.837   11.840   9.1410   11.840   9.1410   0.0000   0.0000   39.688   13.837  ?   ?       ?      ? 
1 1 1    3   19   55 o   39.333   15.949   9.2870   13.248   9.2870   13.248   0.0000   0.0000   39.333   15.949  ?   ?       ?      ? 
1 1 1    3   19   56 o   30.280   13.821  -3.6727   12.603  -3.6727   12.603   0.0000   0.0000   30.280   13.821  ?   ?       ?      ? 
1 1 1    3   19   57 o   45.232   14.141   16.687   9.6240   16.687   9.6240   0.0000   0.0000   45.232   14.141  ?   ?       ?      ? 
1 1 1    3   19   58 o   39.802   13.657   12.416   8.8877   12.416   8.8877   0.0000   0.0000   39.802   13.657  ?   ?       ?      ? 
1 1 1    3   19   59 o   19.329   9.4122 -12.1404   7.9201 -12.1404   7.9201   0.0000   0.0000   19.329   9.4122  ?   ?       ?      ? 
1 1 1    3   19   60 o   33.658   13.201   7.2940   8.7782   7.2940   8.7782   0.0000   0.0000   33.658   13.201  ?   ?       ?      ? 
1 1 1    3   19   61 o   27.191   11.813   1.1565   8.0988   1.1565   8.0988   0.0000   0.0000   27.191   11.813  ?   ?       ?      ? 
1 1 1    3   19   62 o   33.954   13.000   8.1972   8.3621   8.1972   8.3621   0.0000   0.0000   33.954   13.000  ?   ?       ?      ? 
1 1 1    3   19   63 o   21.665   10.198  -5.8444   7.7103  -5.8444   7.7103   0.0000   0.0000   21.665   10.198  ?   ?       ?      ? 
1 1 1    3   19   64 o   35.599   13.218   10.069   8.4965   10.069   8.4965   0.0000   0.0000   35.599   13.218  ?   ?       ?      ? 
1 1 1    3   19   65 o   37.678   13.352   12.113   8.5357   12.113   8.5357   0.0000   0.0000   37.678   13.352  ?   ?       ?      ? 
1 1 1    3   19   66 f   33.992   13.133   9.1499   8.5869   9.1499   8.5869   0.0000   0.0000   33.992   13.133  ?   ?       ?      ? 
1 1 1    3   19   67 o   23.744   10.918  -2.2248   8.0615  -2.2248   8.0615   0.0000   0.0000   23.744   10.918  ?   ?       ?      ? 
1 1 1    3   20    0 o   71.611   8.5423   37.316   7.8378   42.858   10.424   30.108   11.888   78.859   9.7546   64.364   14.026 14.49448 17.08467 
1 1 1    3   20    1 o   62.509   8.7884   26.177   7.5768   9.2654   9.8627   50.529   11.835   39.463   14.308   85.555   10.208 -46.09139 17.57674 
1 1 1    3   20    2 o   30.049   9.2389  -1.1150   6.8978  -1.2042   8.9288  -0.9830   10.863   28.463   12.385   31.636   13.713 -3.173162 18.47788 
1 1 1    3   20    3 o   53.645   9.6728   21.770   7.4672   29.849   9.8933   11.075   11.383   64.635   11.727   42.655   15.386 21.98062 19.34562 
1 1 1    3   20    4 o   80.939   7.4504   44.915   8.0896   42.763   10.608   47.906   12.505   78.730   9.9431   83.148   11.098 -4.417946 14.90071 
1 1 1    3   20    5 o   41.199   10.353   10.569   7.1985   10.992   9.3775   9.9611   11.232   41.009   14.029   41.389   15.229 -0.3798218 20.70625 
1 1 1    3   20    6 o  118.613   6.0708   95.378   9.6854   86.480   12.781  107.380   14.844  112.234   8.4033  124.991   8.7638 -12.75723 12.14164 
1 1 1    3   20    7 o  106.379   6.8097   78.584   9.6105   80.993   12.502   75.103   15.026  108.591   8.4957  104.167   10.645 4.423698 13.61943 
1 1 1    3   20    8 o  124.125   8.4927  107.495   14.215  109.595   19.292  105.002   21.025  125.637   11.331  122.612   12.654 3.025429 16.98546 
1 1 1    3   20    9 o   55.125   11.040   22.723   9.2334   10.816   14.305   31.226   12.089   44.772   17.037   65.479   14.045 -20.70683 22.07954 
1 1 1    3   20   10 o   74.132   9.9242   37.587   9.6130   49.869   15.539   29.972   12.235   84.254   13.610   64.011   14.448 20.24249 19.84849 
1 1 1    3   20   11 o   51.250   11.752   17.335   9.1151   23.806   15.083   13.612   11.440   57.249   17.671   45.251   15.496 11.99705 23.50319 
1 1 1    3   20   12 o  105.624   9.1690   79.191   12.862   84.260   16.968   72.341   19.722  110.056   11.377  101.191   14.382 8.864563 18.33791 
1 1 1    3   20   13 o   68.948   11.987   34.861   11.000   31.779   14.337   39.271   17.149   65.455   16.241   72.441   17.635 -6.985428 23.97451 
1 1 1    3   20   14 o   42.397   10.945   1.9248   9.4973 -12.2735   12.151   24.217   15.226   27.217   12.809   57.576   17.752 -30.35838 21.89030 
1 1 1    3   20   15 o   77.314   10.160   47.359   9.0593   52.674   10.710   33.996   16.983   87.385   9.0446   67.242   18.195 20.14294 20.31902 
1 1 1    3   20   16 f   84.855   9.0421   50.149   9.1133   48.722   10.728   53.848   17.273   83.958   9.4291   85.752   15.431 -1.794189 18.08418 
1 1 1    3   20   17 o   66.422   9.6490   23.917   8.3884   10.637   9.8221   59.707   16.125   40.742   14.335   92.103   12.919 -51.36086 19.29796 
1 1 1    3   20   18 o   88.028   9.3704   60.420   9.3969   67.468   11.277   44.404   16.999   98.953   8.4094   77.103   16.748 21.85014 18.74088 
1 1 1    3   20   19 o   78.957   9.1441   43.106   8.7695   40.853   10.427   48.551   16.211   76.703   10.031   81.211   15.291 -4.507164 18.28811 
1 1 1    3   20   20 o   68.191   10.142   34.243   8.4180   34.977   9.9607   32.409   15.747   70.886   10.369   65.496   17.434 5.389778 20.28464 
1 1 1    3   20   21 o   55.033   9.8439   25.052   8.1548   33.561   9.7596   5.3684   14.844   69.405   10.377   40.662   16.731 28.74279 19.68776 
1 1 1    3   20   22 o  113.717   7.3708   88.177   10.392   85.265   12.327   95.329   19.319  111.172   8.1822  116.262   12.262 -5.090919 14.74152 
1 1 1    3   20   23 o  148.107   7.3856  150.911   14.823  150.911   14.823   0.0000   0.0000  148.107   7.3856  ?   ?       ?      ? 
1 1 1    3   20   24 o   83.996   9.3342   49.022   10.625   49.022   10.625   0.0000   0.0000   83.996   9.3342  ?   ?       ?      ? 
1 1 1    3   20   25 o   27.334   8.9995  -6.4464   7.0866  -4.5639   8.1308 -12.3960   14.455   24.463   11.141   30.206   14.137 -5.742859 17.99905 
1 1 1    3   20   26 f   44.113   10.428   7.4904   7.4924  -0.1895   8.8563   26.825   14.052   28.833   12.440   59.393   16.740 -30.56078 20.85607 
1 1 1    3   20   27 o   88.690   7.9046   50.403   8.8839   42.143   10.532   70.774   16.540   77.598   10.016   99.782   12.232 -22.18350 15.80929 
1 1 1    3   20   28 f   78.181   9.2710   46.009   8.6089   48.411   10.345   40.598   15.527   83.340   9.1597   73.022   16.122 10.31820 18.54204 
1 1 1    3   20   29 o   69.675   9.9668   39.959   8.4581   46.513   10.205   25.576   15.117   81.625   9.2257   57.725   17.670 23.90014 19.93356 
1 1 1    3   20   30 o   53.889   10.548   22.292   7.6775   23.443   9.2267   19.699   13.843   56.235   12.438   51.543   17.040 4.692146 21.09641 
1 1 1    3   20   31 f   68.834   9.6030   32.080   8.2259   25.255   9.9069   47.232   14.761   58.186   12.903   79.482   14.227 -21.29695 19.20602 
1 1 1    3   20   32 o   94.952   7.9596   65.535   9.5822   68.393   11.832   60.088   16.335   98.917   8.8266   90.987   13.248 7.930717 15.91926 
1 1 1    3   20   33 o  118.365   7.1131  100.747   10.619  104.223   13.008   93.802   18.386  122.437   7.8397  114.293   11.871 8.144897 14.22612 
1 1 1    3   20   34 o   76.980   8.5024   40.456   8.5001   35.265   10.385   50.995   14.796   70.313   10.899   83.647   13.053 -13.33350 17.00488 
1 1 1    3   20   35 o   27.294   8.5859  -3.7510   6.7872   2.5346   8.5079 -14.7529   11.256   30.272   12.580   24.315   11.688 5.956987 17.17178 
1 1 1    3   20   36 o   57.717   10.607   26.127   8.2492   27.157   10.461   24.431   13.415   59.803   13.256   55.630   16.562 4.172504 21.21402 
1 1 1    3   20   37 o   66.637   9.7594   33.554   8.2938   32.412   10.455   35.493   13.622   65.889   12.157   67.386   15.271 -1.496765 19.51889 
1 1 1    3   20   38 f   68.461   9.4559   32.641   8.3764   24.580   10.360   47.859   14.234   56.457   13.684   80.465   13.054 -24.00851 18.91189 
1 1 1    3   20   39 o   44.988   10.113   15.583   7.6948   22.406   9.7272   4.1742   12.579   53.894   13.381   36.082   15.167 17.81131 20.22595 
1 1 1    3   20   40 o   36.022   10.175   6.6969   7.4086   7.6788   9.4147   5.1001   12.006   35.940   13.786   36.104   14.969 -0.1635246 20.35039 
1 1 1    3   20   41 o   39.096   10.401   10.044   7.4759   11.682   9.5147   7.4012   12.085   40.288   14.113   37.904   15.281 2.384148 20.80148 
1 1 1    3   20   42 o   68.111   9.6315   35.704   8.2994   35.985   10.261   35.171   14.113   70.368   10.761   65.853   15.977 4.514915 19.26297 
1 1 1    3   20   43 o   41.930   10.331   8.9092   7.5248   1.0699   9.2675   24.077   12.891   29.623   12.753   54.237   16.256 -24.61362 20.66133 
1 1 1    3   20   44 o   36.223   13.703   8.3901   9.2202   8.3901   9.2202   0.0000   0.0000   36.223   13.703  ?   ?       ?      ? 
1 1 1    3   20   45 o   68.902   10.976   34.850   10.248   34.850   10.248   0.0000   0.0000   68.902   10.976  ?   ?       ?      ? 
1 1 1    3   20   46 o   23.246   10.875  -6.7257   8.5390  -6.7257   8.5390   0.0000   0.0000   23.246   10.875  ?   ?       ?      ? 
1 1 1    3   20   47 o   34.343   13.284   7.1261   8.7949   7.1261   8.7949   0.0000   0.0000   34.343   13.284  ?   ?       ?      ? 
1 1 1    3   20   48 o   50.914   16.335   21.650   12.770   21.650   12.770   0.0000   0.0000   50.914   16.335  ?   ?       ?      ? 
1 1 1    3   20   49 o   42.137   16.045   12.899   12.694   12.899   12.694   0.0000   0.0000   42.137   16.045  ?   ?       ?      ? 
1 1 1    3   20   50 o   35.922   15.063   5.6813   12.355   5.6813   12.355   0.0000   0.0000   35.922   15.063  ?   ?       ?      ? 
1 1 1    3   20   51 o   57.776   16.660   28.945   13.762   28.945   13.762   0.0000   0.0000   57.776   16.660  ?   ?       ?      ? 
1 1 1    3   20   52 o   26.736   11.794  -0.4000   8.3475  -0.4000   8.3475   0.0000   0.0000   26.736   11.794  ?   ?       ?      ? 
1 1 1    3   20   53 o   21.372   10.190  -8.6970   8.1857  -8.6970   8.1857   0.0000   0.0000   21.372   10.190  ?   ?       ?      ? 
1 1 1    3   20   54 o   27.227   11.862   0.7015   8.2124   0.7015   8.2124   0.0000   0.0000   27.227   11.862  ?   ?       ?      ? 
1 1 1    3   20   55 o   39.010   13.760   12.009   9.0543   12.009   9.0543   0.0000   0.0000   39.010   13.760  ?   ?       ?      ? 
1 1 1    3   20   56 o   31.099   12.735   4.9989   8.5496   4.9989   8.5496   0.0000   0.0000   31.099   12.735  ?   ?       ?      ? 
1 1 1    3   20   57 f   41.841   13.662   14.693   8.9084   14.693   8.9084   0.0000   0.0000   41.841   13.662  ?   ?       ?      ? 
1 1 1    3   20   58 o   38.742   13.531   12.377   8.7422   12.377   8.7422   0.0000   0.0000   38.742   13.531  ?   ?       ?      ? 
1 1 1    3   20   59 o   44.610   13.444   17.234   8.7993   17.234   8.7993   0.0000   0.0000   44.610   13.444  ?   ?       ?      ? 
1 1 1    3   20   60 o   28.889   12.247   3.5974   8.3140   3.5974   8.3140   0.0000   0.0000   28.889   12.247  ?   ?       ?      ? 
1 1 1    3   20   61 o   34.736   13.283   9.6096   8.7225   9.6096   8.7225   0.0000   0.0000   34.736   13.283  ?   ?       ?      ? 
1 1 1    3   20   62 o   36.653   13.407   11.647   8.6866   11.647   8.6866   0.0000   0.0000   36.653   13.407  ?   ?       ?      ? 
1 1 1    3   20   63 o   48.128   13.446   21.325   9.1078   21.325   9.1078   0.0000   0.0000   48.128   13.446  ?   ?       ?      ? 
1 1 1    3   21    0 f   60.510   9.3372   26.675   7.3592   25.345   9.6101   28.562   11.443   58.883   12.434   62.138   13.933 -3.254082 18.67446 
1 1 1    3   21    1 o   29.749   9.7368 -11.8185   8.8579 -17.4582   11.013  -1.4872   14.906   23.241   11.267   36.258   15.884 -13.01646 19.47368 
1 1 1    3   21    2 o   33.628   15.133  -5.2975   14.474   0.0000   0.0000  -5.2975   14.474  ?   ?    33.628   15.133      ?      ? 
1 1 1    3   21    3 o   43.561   11.637   7.6301   9.9835  -1.9567   13.221   20.348   15.228   33.886   14.899   53.236   17.879 -19.34989 23.27352 
1 1 1    3   21    4 o   79.709   10.634   48.310   10.946   57.572   14.609   36.456   16.528   90.352   11.931   69.066   17.606 21.28577 21.26807 
1 1 1    3   21    5 o   49.177   11.121   17.882   8.2128   20.122   9.7663   12.472   15.177   52.154   13.657   46.200   17.556 5.953217 22.24219 
1 1 1    3   21    6 o   63.493   10.478   23.998   8.2012   16.039   9.4684   47.904   16.410   46.876   13.905   80.110   15.678 -33.23407 20.95564 
1 1 1    3   21    7 o   74.717   10.140   43.868   8.7990   47.592   10.348   34.147   16.720   82.774   9.2251   66.660   18.060 16.11416 20.28006 
1 1 1    3   21    8 o   69.117   8.5998   33.849   7.7677   31.821   10.067   36.832   12.212   67.313   11.036   70.920   13.192 -3.607010 17.19960 
1 1 1    3   21    9 f   44.255   10.227   13.944   7.0716   15.634   9.1475   11.434   11.148   46.250   13.654   42.261   15.229 3.988686 20.45391 
1 1 1    3   21   10 o   97.052   6.7634   66.754   8.7073   73.149   11.587   58.457   13.198  102.811   8.3163   91.293   10.668 11.51756 13.52687 
1 1 1    3   21   11 o   91.110   9.3007   63.624   9.4857   67.865   11.134   52.397   18.116   99.014   8.2979   83.206   16.648 15.80772 18.60144 
1 1 1    3   21   12 o   55.404   9.5673   27.728   7.0935   33.322   7.9451   5.7481   15.749   69.338   8.4555   41.469   17.165 27.86965 19.13468 
1 1 1    3   21   13 o   65.204   10.061   31.816   7.1995   32.295   8.0312   29.856   16.246   68.203   8.6895   62.204   18.149 5.998806 20.12173 
1 1 1    3   21   14 o   96.774   9.0975   76.592   8.5599   82.718   9.6343   53.627   18.653  109.725   6.4794   83.823   17.002 25.90112 18.19506 
1 1 1    3   21   15 o  116.412   7.7723   95.073   9.2296   94.809   10.152   96.329   22.159  117.478   6.3770  115.346   14.176 2.131889 15.54457 
1 1 1    3   21   16 o   45.444   11.934   15.215   7.4434   15.215   7.4434   0.0000   0.0000   45.444   11.934  ?   ?       ?      ? 
1 1 1    3   21   17 o   44.781   11.879   14.778   7.3272   14.778   7.3272   0.0000   0.0000   44.781   11.879  ?   ?       ?      ? 
1 1 1    3   21   18 o   43.013   10.705   11.476   6.4170   10.918   7.0744   14.068   15.243   39.017   12.112   47.009   17.655 -7.991871 21.41016 
1 1 1    3   21   19 o   58.348   10.079   19.748   6.8509   14.590   7.6737   40.003   15.208   44.432   12.317   72.263   15.956 -27.83046 20.15708 
1 1 1    3   21   20 o   80.097   9.3116   50.688   7.7602   53.546   8.7971   40.665   16.476   87.971   7.3793   72.222   17.099 15.74870 18.62311 
1 1 1    3   21   21 o   87.403   9.5612   65.268   8.3329   72.338   9.4895   41.448   17.417  102.372   6.8404   72.435   17.857 29.93707 19.12246 
1 1 1    3   21   22 o   65.416   9.8603   30.602   7.1732   29.693   8.0444   34.133   15.848   65.091   9.1199   65.741   17.485 -0.6494675 19.72055 
1 1 1    3   21   23 o   49.029   10.421   12.574   6.5774   7.7578   7.3661   31.518   14.610   34.702   12.392   63.355   16.758 -28.65308 20.84269 
1 1 1    3   21   24 o   42.045   10.241   7.3647   6.3518   2.8574   7.1659   23.889   13.721   28.728   11.700   55.363   16.811 -26.63548 20.48144 
1 1 1    3   21   25 o   51.452   10.176   16.928   6.4882   13.549   7.3746   28.504   13.649   42.682   12.161   60.221   16.319 -17.53953 20.35184 
1 1 1    3   21   26 o   85.971   7.4038   46.432   7.5874   40.401   8.6392   66.776   15.867   75.970   8.3916   95.971   12.200 -20.00090 14.80758 
1 1 1    3   21   27 o   57.470   10.027   25.822   7.1145   26.941   8.1375   22.194   14.656   61.648   9.7407   53.291   17.530 8.356991 20.05406 
1 1 1    3   21   28 o   33.246   9.7367   3.2176   6.2664   1.9731   7.1919   7.1412   12.770   27.751   11.552   38.740   15.677 -10.98899 19.47342 
1 1 1    3   21   29 o   71.287   8.8765   37.459   7.1816   37.148   8.2787   38.407   14.437   72.714   8.4015   69.860   15.639 2.854362 17.75308 
1 1 1    3   21   30 o   61.670   10.346   30.061   8.2745   31.209   10.281   27.950   13.942   64.467   12.215   58.874   16.703 5.593597 20.69285 
1 1 1    3   21   31 o   44.985   10.269   15.770   7.6369   20.931   9.4885   6.2776   12.868   52.071   13.376   37.900   15.585 14.17086 20.53771 
1 1 1    3   21   32 o   38.606   10.213   9.7889   7.1950   12.034   8.8053   5.2775   12.481   40.507   13.596   36.705   15.244 3.802322 20.42626 
1 1 1    3   21   33 o   43.191   10.601   12.102   7.3327   8.0466   8.9684   20.280   12.736   35.892   13.530   50.489   16.325 -14.59645 21.20288 
1 1 1    3   21   34 o   52.308   10.740   21.386   7.8299   20.122   9.7703   23.657   13.091   50.672   13.838   53.945   16.429 -3.273262 21.48070 
1 1 1    3   21   35 o   38.288   10.486   7.9355   7.4660   4.9494   9.2032   13.684   12.769   32.893   13.309   43.684   16.207 -10.79137 20.97138 
1 1 1    3   21   36 o   25.434   8.2724  -6.9745   6.9167  -0.1085   8.9548 -17.1289   10.890   28.279   12.352   22.589   11.008 5.689772 16.54485 
1 1 1    3   21   37 o   29.874   9.2711  -0.1499   7.1976   2.2954   9.1667  -4.0811   11.623   30.417   12.875   29.330   13.343 1.087099 18.54229 
1 1 1    3   21   38 o   52.636   11.017   22.329   9.3122   9.6644   13.457   33.966   12.899   40.332   16.173   64.939   14.965 -24.60763 22.03451 
1 1 1    3   21   39 o   30.269   13.602  -2.2800   11.642  -2.2800   11.642   0.0000   0.0000   30.269   13.602  ?   ?       ?      ? 
1 1 1    3   21   40 o   42.617   15.961   13.230   12.441   13.230   12.441   0.0000   0.0000   42.617   15.961  ?   ?       ?      ? 
1 1 1    3   21   41 o   39.546   15.413   10.249   11.908   10.249   11.908   0.0000   0.0000   39.546   15.413  ?   ?       ?      ? 
1 1 1    3   21   42 o   27.111   12.641  -7.2978   11.383  -7.2978   11.383   0.0000   0.0000   27.111   12.641  ?   ?       ?      ? 
1 1 1    3   21   43 o   52.620   16.142   23.358   12.607   23.358   12.607   0.0000   0.0000   52.620   16.142  ?   ?       ?      ? 
1 1 1    3   21   44 o   55.660   12.633   24.429   9.3108   24.429   9.3108   0.0000   0.0000   55.660   12.633  ?   ?       ?      ? 
1 1 1    3   21   45 o   42.684   13.350   14.480   8.5761   14.480   8.5761   0.0000   0.0000   42.684   13.350  ?   ?       ?      ? 
1 1 1    3   21   46 o   50.308   13.140   20.411   9.0556   20.411   9.0556   0.0000   0.0000   50.308   13.140  ?   ?       ?      ? 
1 1 1    3   21   47 o   19.855   9.5947 -10.6707   7.8303 -10.6707   7.8303   0.0000   0.0000   19.855   9.5947  ?   ?       ?      ? 
1 1 1    3   21   48 o   40.861   13.424   13.365   8.5957   13.365   8.5957   0.0000   0.0000   40.861   13.424  ?   ?       ?      ? 
1 1 1    3   21   49 o   32.309   12.847   6.1515   8.4204   6.1515   8.4204   0.0000   0.0000   32.309   12.847  ?   ?       ?      ? 
1 1 1    3   21   50 o   60.785   11.706   29.195   9.2926   29.195   9.2926   0.0000   0.0000   60.785   11.706  ?   ?       ?      ? 
1 1 1    3   21   51 o   38.735   13.657   12.039   8.9189   12.039   8.9189   0.0000   0.0000   38.735   13.657  ?   ?       ?      ? 
1 1 1    3   21   52 o   19.666   9.4671  -9.0904   7.4501  -9.0904   7.4501   0.0000   0.0000   19.666   9.4671  ?   ?       ?      ? 
1 1 1    3   21   53 o   38.189   13.189   11.982   8.2958   11.982   8.2958   0.0000   0.0000   38.189   13.189  ?   ?       ?      ? 
1 1 1    3   21   54 o   26.642   11.644   1.1632   7.9710   1.1632   7.9710   0.0000   0.0000   26.642   11.644  ?   ?       ?      ? 
1 1 1    3   21   55 o   21.085   10.045  -7.2971   7.9216  -7.2971   7.9216   0.0000   0.0000   21.085   10.045  ?   ?       ?      ? 
1 1 1    3   21   56 o   38.566   13.155   12.896   8.2448   12.896   8.2448   0.0000   0.0000   38.566   13.155  ?   ?       ?      ? 
1 1 1    3   21   57 o   16.141   8.0619 -16.6654   7.2465 -16.6654   7.2465   0.0000   0.0000   16.141   8.0619  ?   ?       ?      ? 
1 1 1    3   21   58 o   21.129   9.9864  -5.3837   7.5324  -5.3837   7.5324   0.0000   0.0000   21.129   9.9864  ?   ?       ?      ? 
1 1 1    3   22    0 o   51.447   9.6777   20.476   6.9156   23.319   9.0346   16.455   10.747   55.912   12.262   46.981   14.976 8.931328 19.35535 
1 1 1    3   22    1 o   32.453   8.9937   2.5837   6.6439   10.909   8.6809  -9.1885   10.323   39.561   13.498   25.344   11.888 14.21738 17.98733 
1 1 1    3   22    2 o   42.749   10.054   12.486   6.8275   8.9914   8.9340   17.392   10.586   37.449   13.612   48.049   14.800 -10.59934 20.10753 
1 1 1    3   22    3 o   36.452   9.7095   7.6205   6.4772   6.0689   8.5151   9.7510   9.9780   33.828   13.075   39.076   14.357 -5.248005 19.41897 
1 1 1    3   22    4 o   41.984   9.6497   12.818   6.5822   16.938   8.6077   7.0179   10.215   47.451   13.001   36.518   14.263 10.93378 19.29950 
1 1 1    3   22    5 o   51.618   9.3331   21.116   6.9829   28.775   9.2071   10.743   10.714   62.620   11.264   40.615   14.885 22.00511 18.66618 
1 1 1    3   22    6 o   65.424   10.509   33.560   8.3332   34.990   9.6666   29.422   16.442   70.257   10.153   60.591   18.404 9.666355 21.01866 
1 1 1    3   22    7 f   33.272   9.9237   3.1883   7.1164   5.0997   8.2164  -2.5511   14.238   32.426   12.755   34.118   15.206 -1.691967 19.84735 
1 1 1    3   22    8 o   68.537   10.241   36.683   8.2892   38.113   9.6301   32.594   16.285   73.442   9.6761   63.631   18.051 9.811169 20.48115 
1 1 1    3   22    9 o   44.916   10.503   15.552   7.5183   18.855   8.6556   5.4019   15.173   49.975   12.742   39.857   16.701 10.11790 21.00677 
1 1 1    3   22   10 o   34.793   9.0407   6.3733   6.3525   12.794   8.0180  -4.4526   10.411   41.639   12.889   27.947   12.681 13.69209 18.08139 
1 1 1    3   22   11 o   29.405   8.8093   2.0601   5.7563   5.2173   6.3722 -11.9444   13.421   30.314   11.409   28.495   13.426 1.818340 17.61863 
1 1 1    3   22   12 o   26.728   8.6781  -2.9388   5.6160  -2.5324   6.2166  -4.7426   13.096   22.031   9.9157   31.425   14.245 -9.394468 17.35610 
1 1 1    3   22   13 o   35.355   9.8266   6.8470   5.9125   7.7408   6.5127   2.6574   14.100   33.826   11.686   36.884   15.801 -3.057270 19.65320 
1 1 1    3   22   14 o   65.230   9.6940   26.909   6.8558   23.202   7.5810   43.553   16.063   56.273   10.322   74.188   16.412 -17.91539 19.38799 
1 1 1    3   22   15 o   84.385   9.7153   61.530   8.0930   67.292   9.1344   40.493   17.453   98.481   6.8445   70.289   18.185 28.19231 19.43068 
1 1 1    3   22   16 o   68.060   9.8676   38.360   7.4229   41.037   8.4169   28.991   15.745   76.517   8.1173   59.603   17.988 16.91360 19.73511 
1 1 1    3   22   17 o   35.827   9.9626   7.1555   6.4508   8.3595   7.3006   2.8681   13.776   35.149   12.360   36.505   15.628 -1.355515 19.92512 
1 1 1    3   22   18 o   56.568   10.186   24.288   6.9513   23.898   7.9106   25.613   14.563   56.880   10.654   56.256   17.364 0.6234703 20.37199 
1 1 1    3   22   19 o  105.833   7.1375   74.471   8.4447   70.299   9.4534   90.952   18.789  100.521   6.9398  111.145   12.475 -10.62447 14.27507 
1 1 1    3   22   20 o   68.630   9.7362   34.554   7.1553   33.669   7.9675   38.243   16.267   69.084   8.5107   68.176   17.514 0.9078903 19.47231 
1 1 1    3   22   21 o   44.125   10.583   13.669   6.5109   13.245   7.2605   15.411   14.714   41.867   12.109   46.383   17.360 -4.515327 21.16603 
1 1 1    3   22   22 o   41.204   10.343   7.0737   6.3148   2.8670   7.0634   23.823   14.094   28.292   11.580   54.116   17.140 -25.82427 20.68512 
1 1 1    3   22   23 o   33.865   9.5367   6.1648   6.2190   8.3708   7.0122  -1.9645   13.461   34.784   12.120   32.946   14.728 1.837376 19.07331 
1 1 1    3   22   24 o   40.277   10.747   10.581   7.5228   10.406   8.9341   11.009   13.946   38.455   13.657   42.099   16.599 -3.644566 21.49480 
1 1 1    3   22   25 f   49.296   10.901   19.297   7.8290   19.780   9.4712   18.255   13.911   50.259   13.583   48.333   17.055 1.925724 21.80277 
1 1 1    3   22   26 o   41.818   9.5051   12.562   7.6955   22.512   9.3941  -7.7378   13.418   53.803   13.024   29.833   13.848 23.96967 19.01030 
1 1 1    3   22   27 o   33.126   9.6456   4.0824   7.2430   8.4665   8.7761  -5.2826   12.827   36.004   13.421   30.247   13.858 5.757458 19.29118 
1 1 1    3   22   28 o   43.203   10.336   14.575   7.5847   18.831   9.3359   6.3131   13.008   48.887   13.598   37.520   15.571 11.36746 20.67241 
1 1 1    3   22   29 o   35.848   10.183   6.8893   7.2799   7.4019   8.8829   5.8408   12.704   34.848   13.385   36.848   15.348 -2.000004 20.36506 
1 1 1    3   22   30 o   43.225   9.0505   13.447   7.6345   26.411   9.5509  -9.4971   12.706   58.457   12.439   27.994   13.150 30.46295 18.10093 
1 1 1    3   22   31 o   53.353   10.642   18.849   7.9946   10.297   9.5734   38.556   14.533   38.335   14.067   68.371   15.973 -30.03604 21.28429 
1 1 1    3   22   32 o   64.423   10.170   31.991   8.2238   29.360   9.9804   37.553   14.514   61.630   12.380   67.215   16.138 -5.585354 20.33994 
1 1 1    3   22   33 o   43.627   13.742   14.974   9.0692   14.974   9.0692   0.0000   0.0000   43.627   13.742  ?   ?       ?      ? 
1 1 1    3   22   34 o   31.977   12.970   4.8669   8.7628   4.8669   8.7628   0.0000   0.0000   31.977   12.970  ?   ?       ?      ? 
1 1 1    3   22   35 f   38.117   13.656   10.588   8.9515   10.588   8.9515   0.0000   0.0000   38.117   13.656  ?   ?       ?      ? 
1 1 1    3   22   36 o   32.946   13.178   5.8215   8.9104   5.8215   8.9104   0.0000   0.0000   32.946   13.178  ?   ?       ?      ? 
1 1 1    3   22   37 o   63.103   11.815   30.734   9.7319   30.734   9.7319   0.0000   0.0000   63.103   11.815  ?   ?       ?      ? 
1 1 1    3   22   38 o   53.963   13.089   23.324   9.4731   23.324   9.4731   0.0000   0.0000   53.963   13.089  ?   ?       ?      ? 
1 1 1    3   22   39 o   36.105   13.304   9.2601   8.5761   9.2601   8.5761   0.0000   0.0000   36.105   13.304  ?   ?       ?      ? 
1 1 1    3   22   40 f   38.399   13.432   11.274   8.6163   11.274   8.6163   0.0000   0.0000   38.399   13.432  ?   ?       ?      ? 
1 1 1    3   22   41 o   37.168   13.440   10.307   8.6931   10.307   8.6931   0.0000   0.0000   37.168   13.440  ?   ?       ?      ? 
1 1 1    3   22   42 o   46.567   13.373   17.848   8.8838   17.848   8.8838   0.0000   0.0000   46.567   13.373  ?   ?       ?      ? 
1 1 1    3   22   43 o   27.019   11.876   0.2490   8.3955   0.2490   8.3955   0.0000   0.0000   27.019   11.876  ?   ?       ?      ? 
1 1 1    3   22   44 f   33.817   13.023   7.7809   8.4226   7.7809   8.4226   0.0000   0.0000   33.817   13.023  ?   ?       ?      ? 
1 1 1    3   22   45 f   40.035   13.225   13.150   8.3387   13.150   8.3387   0.0000   0.0000   40.035   13.225  ?   ?       ?      ? 
1 1 1    3   22   46 o   27.781   11.882   2.2716   7.9480   2.2716   7.9480   0.0000   0.0000   27.781   11.882  ?   ?       ?      ? 
1 1 1    3   22   47 o   31.745   12.570   6.4940   8.0300   6.4940   8.0300   0.0000   0.0000   31.745   12.570  ?   ?       ?      ? 
1 1 1    3   22   48 o   42.383   13.103   15.374   8.2888   15.374   8.2888   0.0000   0.0000   42.383   13.103  ?   ?       ?      ? 
1 1 1    3   22   49 o   42.102   13.345   15.442   8.5431   15.442   8.5431   0.0000   0.0000   42.102   13.345  ?   ?       ?      ? 
1 1 1    3   22   50 o   29.440   12.187   4.7654   7.9388   4.7654   7.9388   0.0000   0.0000   29.440   12.187  ?   ?       ?      ? 
1 1 1    3   22   51 f   22.605   10.458  -3.2285   7.5618  -3.2285   7.5618   0.0000   0.0000   22.605   10.458  ?   ?       ?      ? 
1 1 1    3   22   52 o   33.748   12.927   9.2249   8.2709   9.2249   8.2709   0.0000   0.0000   33.748   12.927  ?   ?       ?      ? 
1 1 1    3   23    0 o   36.598   10.201   6.7928   7.5401   11.468   11.233   2.9593   10.172   40.873   15.194   32.322   13.616 8.551754 20.40211 
1 1 1    3   23    1 o   41.013   10.185   11.524   7.6559   2.5282   11.636   18.391   10.167   33.657   14.385   48.369   14.422 -14.71182 20.36979 
1 1 1    3   23    2 o   36.685   9.9161   4.7192   7.5997   16.586   11.421  -4.7116   10.181   46.265   15.484   27.106   12.392 19.15922 19.83214 
1 1 1    3   23    3 o   28.711   8.7651   0.7067   6.1143   0.5371   7.8860   0.9623   9.6813   27.275   11.753   30.147   13.007 -2.871830 17.53028 
1 1 1    3   23    4 o   32.677   9.2433   4.3408   6.1705   1.3493   7.9514   8.8698   9.7835   28.064   11.940   37.291   14.113 -9.227232 18.48652 
1 1 1    3   23    5 o   42.378   9.8146   13.686   6.4673   14.698   8.2596   12.083   10.397   43.728   12.991   41.028   14.715 2.699295 19.62910 
1 1 1    3   23    6 o   28.763   8.5640   0.2714   6.2314   6.5181   7.9886  -9.4359   9.9585   33.239   12.711   24.287   11.480 8.951788 17.12802 
1 1 1    3   23    7 o   34.015   9.4478   5.8978   6.2946   3.8353   8.1495   8.9479   9.9104   30.603   12.472   37.427   14.195 -6.823624 18.89558 
1 1 1    3   23    8 o   32.419   9.3071   4.2300   6.2722   2.3090   8.0288   7.2381   10.047   28.996   12.149   35.842   14.102 -6.845066 18.61412 
1 1 1    3   23    9 o   32.657   9.2817   5.0703   6.3232   7.1012   8.1247   1.9504   10.070   33.982   12.861   31.331   13.386 2.651426 18.56339 
1 1 1    3   23   10 o   37.916   9.4462   9.9130   7.0411   16.246   8.1259  -9.1707   14.106   45.822   12.664   30.010   14.019 15.81154 18.89235 
1 1 1    3   23   11 o   39.019   9.8890   1.7511   5.9266  -3.4584   6.5215   26.462   14.203   21.732   9.9284   56.305   17.106 -34.57294 19.77808 
1 1 1    3   23   12 o   40.532   10.298   11.293   6.1700   11.300   6.8236   11.265   14.447   38.732   11.874   42.331   16.829 -3.598743 20.59659 
1 1 1    3   23   13 o   34.779   9.3405   7.7858   6.0407   10.692   6.7339  -4.1890   13.669   37.796   11.831   31.762   14.457 6.034338 18.68103 
1 1 1    3   23   14 o   34.589   9.2805   7.6813   6.0347   10.781   6.7309  -5.0211   13.625   37.911   11.822   31.267   14.309 6.643799 18.56104 
1 1 1    3   23   15 o   49.673   10.304   19.552   6.5055   19.923   7.2181   17.945   15.016   51.438   10.703   47.908   17.611 3.530807 20.60876 
1 1 1    3   23   16 o   55.242   11.019   22.243   7.7477   18.877   8.9475   32.328   15.489   49.006   13.184   61.478   17.659 -12.47204 22.03814 
1 1 1    3   23   17 o   35.956   9.8546   7.7797   7.1423   11.884   8.3324  -3.5896   13.868   39.735   13.225   32.177   14.614 7.558231 19.70913 
1 1 1    3   23   18 o   43.838   11.000   12.909   7.3612   10.401   8.5224   20.279   14.608   37.923   13.352   49.753   17.484 -11.83013 21.99936 
1 1 1    3   23   19 o   46.595   10.066   18.588   7.4818   23.423   8.8242   6.2232   14.111   55.052   12.153   38.137   16.050 16.91504 20.13205 
1 1 1    3   23   20 f   47.630   10.723   18.442   7.5115   19.438   8.8506   15.878   14.203   49.660   13.000   45.600   17.058 4.060349 21.44686 
1 1 1    3   23   21 o   46.792   10.758   15.341   7.2682   11.504   8.5874   25.032   13.647   39.205   13.425   54.379   16.813 -15.17426 21.51542 
1 1 1    3   23   22 o   44.351   10.126   16.209   7.1626   19.513   8.5767   8.5919   13.021   49.823   12.673   38.879   15.796 10.94400 20.25130 
1 1 1    3   23   23 o   45.593   10.586   14.094   7.1832   9.3942   8.5682   25.212   13.177   36.597   13.326   54.590   16.452 -17.99309 21.17194 
1 1 1    3   23   24 o   39.740   9.5160   11.990   7.0804   18.438   8.4661  -3.0163   12.915   48.318   12.746   31.162   14.134 17.15594 19.03195 
1 1 1    3   23   25 o   49.608   10.565   20.464   7.4665   21.531   8.9074   17.943   13.692   52.227   12.707   46.989   16.883 5.237961 21.13069 
1 1 1    3   23   26 o   37.704   13.494   10.371   8.7383   10.371   8.7383   0.0000   0.0000   37.704   13.494  ?   ?       ?      ? 
1 1 1    3   23   27 o   44.123   13.664   15.556   9.0094   15.556   9.0094   0.0000   0.0000   44.123   13.664  ?   ?       ?      ? 
1 1 1    3   23   28 o   42.119   13.554   14.038   8.7866   14.038   8.7866   0.0000   0.0000   42.119   13.554  ?   ?       ?      ? 
1 1 1    3   23   29 o   36.013   13.404   9.0340   8.7478   9.0340   8.7478   0.0000   0.0000   36.013   13.404  ?   ?       ?      ? 
1 1 1    3   23   30 o   30.828   12.656   4.2767   8.4700   4.2767   8.4700   0.0000   0.0000   30.828   12.656  ?   ?       ?      ? 
1 1 1    3   23   31 o   49.785   13.188   20.095   9.0386   20.095   9.0386   0.0000   0.0000   49.785   13.188  ?   ?       ?      ? 
1 1 1    3   23   32 o   45.494   13.432   16.887   8.8516   16.887   8.8516   0.0000   0.0000   45.494   13.432  ?   ?       ?      ? 
1 1 1    3   23   33 o   31.768   12.911   5.2344   8.7024   5.2344   8.7024   0.0000   0.0000   31.768   12.911  ?   ?       ?      ? 
1 1 1    3   23   34 o   33.978   13.130   7.6200   8.5859   7.6200   8.5859   0.0000   0.0000   33.978   13.130  ?   ?       ?      ? 
1 1 1    3   23   35 o   49.483   13.025   20.129   8.8530   20.129   8.8530   0.0000   0.0000   49.483   13.025  ?   ?       ?      ? 
1 1 1    3   23   36 o   37.720   13.446   11.111   8.6683   11.111   8.6683   0.0000   0.0000   37.720   13.446  ?   ?       ?      ? 
1 1 1    3   23   37 o   26.780   11.805   0.2208   8.3500   0.2208   8.3500   0.0000   0.0000   26.780   11.805  ?   ?       ?      ? 
1 1 1    3   23   38 o   43.430   13.534   15.927   8.8231   15.927   8.8231   0.0000   0.0000   43.430   13.534  ?   ?       ?      ? 
1 1 1    3   23   39 o   24.615   11.132  -1.7785   7.9443  -1.7785   7.9443   0.0000   0.0000   24.615   11.132  ?   ?       ?      ? 
1 1 1    3   23   40 o   31.837   12.611   6.5776   8.0858   6.5776   8.0858   0.0000   0.0000   31.837   12.611  ?   ?       ?      ? 
1 1 1    3   23   41 o   26.801   11.698   1.2951   8.0181   1.2951   8.0181   0.0000   0.0000   26.801   11.698  ?   ?       ?      ? 
1 1 1    3   23   42 o   20.561   9.8544  -8.2608   7.8735  -8.2608   7.8735   0.0000   0.0000   20.561   9.8544  ?   ?       ?      ? 
1 1 1    3   23   43 o   35.137   13.036   9.9662   8.2609   9.9662   8.2609   0.0000   0.0000   35.137   13.036  ?   ?       ?      ? 
1 1 1    3   23   44 o   26.720   11.717   1.5117   8.1283   1.5117   8.1283   0.0000   0.0000   26.720   11.717  ?   ?       ?      ? 
1 1 1    3   23   45 o   37.179   13.281   12.089   8.4605   12.089   8.4605   0.0000   0.0000   37.179   13.281  ?   ?       ?      ? 
1 1 1    3   23   46 o   25.377   11.409  -0.0219   8.2045  -0.0219   8.2045   0.0000   0.0000   25.377   11.409  ?   ?       ?      ? 
1 1 1    3   24    0 f   38.415   8.9495   6.6895   6.2631  -2.8314   7.9654   22.108   10.137   24.568   11.125   52.262   14.022 -27.69435 17.89909 
1 1 1    3   24    1 f   39.209   9.3609   11.467   6.3920   16.665   8.3754   4.2162   9.8922   45.875   12.921   32.542   13.548 13.33358 18.72185 
1 1 1    3   24    2 o   28.205   8.5845   1.0159   5.9996   3.4166   7.8107  -2.4389   9.3698   29.443   12.128   26.967   12.152 2.475819 17.16895 
1 1 1    3   24    3 o   45.482   9.5711   15.090   6.5014   9.0794   8.3450   24.371   10.370   36.024   13.146   54.939   13.914 -18.91556 19.14211 
1 1 1    3   24    4 o   31.188   9.0038   4.2977   6.0909   6.6152   7.8003   0.6769   9.7500   32.774   12.554   29.601   12.910 3.172945 18.00756 
1 1 1    3   24    5 o   38.699   9.7418   10.452   6.3258   7.9581   8.0633   14.443   10.201   34.516   12.864   42.882   14.633 -8.366337 19.48361 
1 1 1    3   24    6 o   37.826   10.114   8.4681   7.4586   15.816   10.945   2.0986   10.191   44.491   15.157   31.161   13.394 13.32979 20.22716 
1 1 1    3   24    7 o   35.765   9.1875   3.9534   7.2102 -10.9327   10.243   18.573   10.151   23.768   11.351   47.761   14.450 -23.99240 18.37503 
1 1 1    3   24    8 o   37.617   10.119   8.9026   7.5068   2.6380   10.949   14.460   10.312   32.372   13.898   42.862   14.711 -10.48972 20.23753 
1 1 1    3   24    9 o   24.931   8.4047 -10.6997   7.7406  -8.8614   9.9369 -13.5366   12.344   24.222   11.455   25.639   12.302 -1.417122 16.80936 
1 1 1    3   24   10 o   45.213   10.189   17.182   7.0020   19.426   8.1288   10.730   13.785   49.738   12.162   40.689   16.350 9.048546 20.37701 
1 1 1    3   24   11 o   28.983   8.9904   0.4942   6.6554   3.9864   7.7368  -9.4451   13.052   29.832   12.154   28.134   13.251 1.697126 17.98088 
1 1 1    3   24   12 o   32.243   9.5802   4.0985   6.9302   6.9927   8.0250  -4.3913   13.744   33.284   12.737   31.202   14.314 2.081327 19.16037 
1 1 1    3   24   13 o   40.364   11.114   11.382   8.8177   13.692   11.497   8.0802   13.742   42.157   15.423   38.571   16.005 3.586746 22.22714 
1 1 1    3   24   14 o   32.182   9.9066   1.3356   8.2703   5.5290   10.883  -4.3955   12.723   34.366   14.251   29.999   13.765 4.367451 19.81315 
1 1 1    3   24   15 o   37.547   10.812   8.1370   8.7216   10.467   11.724   5.2502   13.050   39.118   15.280   35.976   15.302 3.141373 21.62465 
1 1 1    3   24   16 o   37.003   10.601   7.1151   8.7189   13.363   11.679  -0.7502   13.104   41.733   15.497   32.273   14.471 9.460369 21.20300 
1 1 1    3   24   17 o   46.507   11.561   18.120   9.0894   20.249   12.616   15.823   13.106   48.674   16.275   44.339   16.426 4.334709 23.12292 
1 1 1    3   24   18 o   35.939   10.638   6.1937   8.6643   5.0021   11.726   7.6263   12.858   34.528   14.586   37.351   15.489 -2.823483 21.27601 
1 1 1    3   24   19 o   74.043   14.914   45.535   14.447   45.535   14.447   0.0000   0.0000   74.043   14.914  ?   ?       ?      ? 
1 1 1    3   24   20 f   66.913   15.926   38.529   14.232   38.529   14.232   0.0000   0.0000   66.913   15.926  ?   ?       ?      ? 
1 1 1    3   24   21 o   43.627   16.253   15.496   12.867   15.496   12.867   0.0000   0.0000   43.627   16.253  ?   ?       ?      ? 
1 1 1    3   24   22 o   37.789   15.435   8.9160   12.517   8.9160   12.517   0.0000   0.0000   37.789   15.435  ?   ?       ?      ? 
1 1 1    3   24   23 o   50.843   16.624   23.148   13.188   23.148   13.188   0.0000   0.0000   50.843   16.624  ?   ?       ?      ? 
1 1 1    3   24   24 o   38.336   15.570   9.7923   12.647   9.7923   12.647   0.0000   0.0000   38.336   15.570  ?   ?       ?      ? 
1 1 1    3   24   25 f   58.820   12.511   27.934   9.6658   27.934   9.6658   0.0000   0.0000   58.820   12.511  ?   ?       ?      ? 
1 1 1    3   24   26 o   27.624   12.192   0.2740   8.9315   0.2740   8.9315   0.0000   0.0000   27.624   12.192  ?   ?       ?      ? 
1 1 1    3   24   27 o   27.317   11.836   1.3628   8.0854   1.3628   8.0854   0.0000   0.0000   27.317   11.836  ?   ?       ?      ? 
1 1 1    3   24   28 o   22.555   10.600  -6.1176   8.2736  -6.1176   8.2736   0.0000   0.0000   22.555   10.600  ?   ?       ?      ? 
1 1 1    3   24   29 o   37.242   15.483   9.0887   12.896   9.0887   12.896   0.0000   0.0000   37.242   15.483  ?   ?       ?      ? 
1 1 1    3   24   30 o   47.449   16.673   21.192   13.283   21.192   13.283   0.0000   0.0000   47.449   16.673  ?   ?       ?      ? 
1 1 1    3   24   31 f   27.994   13.021  -4.5039   11.960  -4.5039   11.960   0.0000   0.0000   27.994   13.021  ?   ?       ?      ? 
1 1 1    3   24   32 o   49.868   17.050   24.527   13.850   24.527   13.850   0.0000   0.0000   49.868   17.050  ?   ?       ?      ? 
1 1 1    3   24   33 o   36.792   15.429   9.4982   12.965   9.4982   12.965   0.0000   0.0000   36.792   15.429  ?   ?       ?      ? 
1 1 1    3   24   34 o   50.473   17.375   26.252   14.390   26.252   14.390   0.0000   0.0000   50.473   17.375  ?   ?       ?      ? 
1 1 1    3   24   35 o   60.135   17.155   36.594   14.665   36.594   14.665   0.0000   0.0000   60.135   17.155  ?   ?       ?      ? 
1 1 1    3   24   36 o   31.488   14.087   2.8768   12.342   2.8768   12.342   0.0000   0.0000   31.488   14.087  ?   ?       ?      ? 
1 1 1    3   24   37 o   33.097   14.513   5.7807   12.470   5.7807   12.470   0.0000   0.0000   33.097   14.513  ?   ?       ?      ? 
1 1 1    3   24   38 o   33.557   14.601   6.9679   12.410   6.9679   12.410   0.0000   0.0000   33.557   14.601  ?   ?       ?      ? 
1 1 1    3   25    0 o   21.496   7.3866 -13.6368   6.8474 -19.3912   10.630  -9.5562   8.9518   20.951   10.342   22.042   10.549 -1.090210 14.77320 
1 1 1    3   25    1 f   29.122   9.0919  -1.0270   7.0962   5.7981   10.906  -6.0374   9.3447   33.903   14.179   24.342   11.384 9.561152 18.18377 
1 1 1    3   25    2 o   30.566   9.2909  -0.4841   7.2639   9.9040   11.168  -8.1019   9.5634   37.504   14.832   23.629   11.193 13.87516 18.58186 
1 1 1    3   25    3 o   31.893   9.7696  -0.2081   8.6584   10.066   11.377 -14.3497   13.348   37.734   14.956   26.052   12.574 11.68238 19.53913 
1 1 1    3   25    4 o   28.440   9.0205  -1.2880   7.3335  -5.8282   11.022   2.3183   9.8233   26.692   12.443   30.188   13.063 -3.496357 18.04098 
1 1 1    3   25    5 o   37.211   9.5549   6.2372   7.2820   21.204   11.029  -5.3283   9.6956   49.239   15.097   25.182   11.717 24.05650 19.10982 
1 1 1    3   25    6 o   28.824   9.3919  -4.5242   8.1777  -7.9328   10.330   1.1995   13.386   24.750   11.697   32.898   14.697 -8.147314 18.78380 
1 1 1    3   25    7 o   27.180   9.0173  -7.7238   8.1184 -11.8333   10.372  -1.2242   13.044   23.128   11.143   31.233   14.180 -8.105001 18.03451 
1 1 1    3   25    8 o   30.621   9.6851  -0.6724   8.1506  -4.4590   10.617   4.7607   12.718   26.810   12.400   34.432   14.881 -7.622179 19.37020 
1 1 1    3   25    9 f   38.981   15.230   11.581   11.650   11.581   11.650   0.0000   0.0000   38.981   15.230  ?   ?       ?      ? 
1 1 1    3   25   10 o   27.158   12.587  -4.6552   11.024  -4.6552   11.024   0.0000   0.0000   27.158   12.587  ?   ?       ?      ? 
1 1 1    3   25   11 o   23.334   11.252 -12.0248   10.629 -12.0248   10.629   0.0000   0.0000   23.334   11.252  ?   ?       ?      ? 
1 1 1    3   25   12 o   36.212   14.846   8.5198   11.635   8.5198   11.635   0.0000   0.0000   36.212   14.846  ?   ?       ?      ? 
1 1 1    3   25   13 o   34.493   14.434   6.6819   11.310   6.6819   11.310   0.0000   0.0000   34.493   14.434  ?   ?       ?      ? 
1 1 1    3   25   14 o   23.220   11.205 -11.9582   10.586 -11.9582   10.586   0.0000   0.0000   23.220   11.205  ?   ?       ?      ? 
1 1 1    3   25   15 o   26.498   11.697   0.3336   8.2253   0.3336   8.2253   0.0000   0.0000   26.498   11.697  ?   ?       ?      ? 
1 1 1    3   25   16 o   39.406   13.570   12.979   8.7784   12.979   8.7784   0.0000   0.0000   39.406   13.570  ?   ?       ?      ? 
1 1 1    3   25   17 o   23.833   10.904  -2.7100   7.9013  -2.7100   7.9013   0.0000   0.0000   23.833   10.904  ?   ?       ?      ? 
1 1 1    3   25   18 o   43.840   13.335   16.547   8.6275   16.547   8.6275   0.0000   0.0000   43.840   13.335  ?   ?       ?      ? 
1 1 1    3   25   19 o   45.783   13.123   18.033   8.5615   18.033   8.5615   0.0000   0.0000   45.783   13.123  ?   ?       ?      ? 
1 1 1    3   25   20 o   51.831   12.912   22.926   9.0353   22.926   9.0353   0.0000   0.0000   51.831   12.912  ?   ?       ?      ? 
1 1 1    3   25   21 o   39.180   13.496   13.177   8.6831   13.177   8.6831   0.0000   0.0000   39.180   13.496  ?   ?       ?      ? 
1 1 1    3   25   22 o   21.792   10.276  -5.7866   7.8902  -5.7866   7.8902   0.0000   0.0000   21.792   10.276  ?   ?       ?      ? 
1 1 1    3   25   23 o   33.868   12.970   8.8435   8.3239   8.8435   8.3239   0.0000   0.0000   33.868   12.970  ?   ?       ?      ? 
1 1 1    3   25   24 o   33.020   13.040   8.0181   8.6200   8.0181   8.6200   0.0000   0.0000   33.020   13.040  ?   ?       ?      ? 
1 1 1    3   25   25 o   17.870   8.8158 -13.7007   7.6838 -13.7007   7.6838   0.0000   0.0000   17.870   8.8158  ?   ?       ?      ? 
1 1 1    3   25   26 o   27.813   12.043   2.7486   8.3594   2.7486   8.3594   0.0000   0.0000   27.813   12.043  ?   ?       ?      ? 
1 1 1    3   25   27 o   34.203   13.265   9.5033   8.7863   9.5033   8.7863   0.0000   0.0000   34.203   13.265  ?   ?       ?      ? 
1 1 1    3   25   28 o   31.540   12.784   7.1142   8.5078   7.1142   8.5078   0.0000   0.0000   31.540   12.784  ?   ?       ?      ? 
1 1 1    3   26    0 f   31.276   9.8655   3.1490   8.4813   2.8864   11.646   3.4456   12.376   30.840   13.749   31.711   14.152 -0.8709526 19.73104 
1 1 1    3   26    1 o   21.321   7.4630 -19.0048   7.9981 -18.6442   10.921 -19.4219   11.746   20.923   10.356   21.719   10.749 -0.7955914 14.92608 
1 1 1    3   26    2 o   37.113   10.881   11.148   8.9990   8.2068   12.371   14.453   13.115   34.709   14.833   39.517   15.923 -4.808167 21.76194 
1 1 1    3   26    3 o   33.706   10.268   6.4005   8.7298   11.444   12.106   0.9358   12.601   36.977   15.150   30.435   13.864 6.542192 20.53620 
1 1 1    3   26    4 o   26.098   8.7424 -10.2258   8.3721 -20.9107   11.249   3.0412   12.535   20.689   10.287   31.506   14.139 -10.81745 17.48479 
1 1 1    3   26    5 o   27.324   9.0464  -4.9160   8.4410 -10.3202   11.615   1.1329   12.288   24.416   11.770   30.233   13.741 -5.817387 18.09279 
1 1 1    3   26    6 o   38.869   9.9359   9.3420   8.7107   27.188   11.949 -10.8953   12.725   52.356   15.641   25.382   12.257 26.97413 19.87185 
1 1 1    3   26    7 o   44.045   15.920   19.689   12.197   19.689   12.197   0.0000   0.0000   44.045   15.920  ?   ?       ?      ? 
1 1 1    3   26    8 o   26.200   11.555   1.3365   8.0111   1.3365   8.0111   0.0000   0.0000   26.200   11.555  ?   ?       ?      ? 
1 1 1    3   26    9 o   26.213   11.576   1.3164   8.0655   1.3164   8.0655   0.0000   0.0000   26.213   11.576  ?   ?       ?      ? 
1 1 1    3   26   10 o   27.933   11.998   3.3935   8.1688   3.3935   8.1688   0.0000   0.0000   27.933   11.998  ?   ?       ?      ? 
1 1 1    3   26   11 o   32.425   12.874   8.1042   8.4445   8.1042   8.4445   0.0000   0.0000   32.425   12.874  ?   ?       ?      ? 
1 1 1    4    0    0 o  663.373   11.042  2985.06   99.198  2985.06   99.198   0.0000   0.0000  663.373   11.042  663.373   11.042 -0.000000 0.000000 
1 1 1    4    0    1 o  833.914   13.492  4718.20  152.195  4878.02  219.874  4571.19  210.881  847.469   19.168  820.359   18.992 -0.000000 0.000000 
1 1 1    4    0    2 o  439.573   8.0125  1310.91   47.633  1361.12   68.635  1264.26   66.160  447.702   11.329  431.445   11.333 -0.000000 0.000000 
1 1 1    4    0    3 o  236.390   5.6678  379.904   18.106  371.204   25.408  388.880   25.809  233.628   8.0471  239.152   7.9838 -0.000000 0.000000 
1 1 1    4    0    4 o  697.792   11.530  3306.22  108.886  3265.05  152.819  3348.67  155.184  693.375   16.284  702.208   16.328 -0.000000 0.000000 
1 1 1    4    0    5 o  1062.48   16.850  7668.87  242.291  7803.41  346.561  7540.23  338.870  1071.60   23.892  1053.36   23.767 -0.000000 0.000000 
1 1 1    4    0    6 o  1468.89   22.951 14679.91  456.345 14618.94  643.569 14741.56  647.185  1465.82   32.435  1471.95   32.481 -0.000000 0.000000 
1 1 1    4    0    7 o  651.904   10.883  2886.11   96.020  2883.87  135.693  2888.37  135.894  651.650   15.385  652.158   15.396 -0.000000 0.000000 
1 1 1    4    0    8 o  883.510   14.210  5303.02  169.936  5287.90  239.852  5318.25  240.803  882.246   20.085  884.775   20.107 -0.000000 0.000000 
1 1 1    4    0    9 o  936.816   14.995  5960.79  190.097  5849.10  265.444  6078.38  272.365  927.805   21.137  945.826   21.274 -0.000000 0.000000 
1 1 1    4    0   10 o  904.833   14.531  5557.48  177.872  5735.65  256.685  5392.89  246.710  918.782   20.640  890.885   20.460 -0.000000 0.000000 
1 1 1    4    0   11 o  2306.96   35.848 36399.81  1119.44 36614.83  1589.63 36188.27  1576.72  2313.70   50.755  2300.22   50.638 -0.000000 0.000000 
1 1 1    4    0   12 o  524.214   9.1361  1864.55   64.780  1803.53   89.947  1930.31   93.374  515.298   12.899  533.130   12.942 -0.000000 0.000000 
1 1 1    4    0   13 o  613.317   10.358  2553.18   85.941  2626.84  123.605  2484.25  119.574  621.885   14.686  604.750   14.610 -0.000000 0.000000 
1 1 1    4    0   14 o  1413.93   31.338 13617.94  599.794   0.0000   0.0000 13617.94  599.794  1413.93   31.338  1413.93   31.338 -0.000000 0.000000 
1 1 1    4    0   15 o  703.162   16.448  3359.53  156.536   0.0000   0.0000  3359.53  156.536  703.162   16.448  703.162   16.448 -0.000000 0.000000 
1 1 1    4    0   16 o  160.648   5.1801  175.994   11.224  177.135   15.913  174.865   15.833  161.170   7.3203  160.125   7.3314 -0.000000 0.000000 
1 1 1    4    0   17 o  623.764   10.527  2643.35   88.860  2688.30  126.921  2600.13  124.449  628.971   14.910  618.558   14.866 -0.000000 0.000000 
1 1 1    4    0   18 o  895.213   14.427  5451.85  174.805  5392.17  245.447  5513.29  249.016  890.240   20.370  900.186   20.437 -0.000000 0.000000 
1 1 1    4    0   19 o  474.677   8.5258  1530.81   54.756  1556.62   78.146  1505.91   76.746  478.614   12.066  470.740   12.049 -0.000000 0.000000 
1 1 1    4    0   20 o  115.091   5.1948   90.935   8.0206   87.950   11.403   93.858   11.283  113.165   7.5119  117.017   7.1773 -0.000000 0.000000 
1 1 1    4    0   21 o  146.012   7.4523  145.642   14.658  145.642   14.658   0.0000   0.0000  146.012   7.4523  146.012   7.4523 -0.000000 0.000000 
1 1 1    4    0   22 o  1220.49   27.305 10167.62  451.099 10167.62  451.099   0.0000   0.0000  1220.49   27.305  1220.49   27.305 -0.000000 0.000000 
1 1 1    4    0   23 o  810.658   13.223  4463.76  144.949  4662.69  210.694  4285.01  199.724  827.782   18.804  793.533   18.596 -0.000000 0.000000 
1 1 1    4    0   24 o  147.791   5.3658  149.222   10.666  139.060   14.950  159.755   15.222  142.594   7.7899  152.989   7.3812 -0.000000 0.000000 
1 1 1    4    0   25 o  239.974   5.9267  391.558   19.211  374.827   26.832  409.154   27.517  234.689   8.4619  245.258   8.3007 -0.000000 0.000000 
1 1 1    4    0   26 o  790.402   12.944  4239.66  138.326  4442.07  201.418  4058.98  190.302  808.233   18.411  772.572   18.200 -0.000000 0.000000 
1 1 1    4    0   27 o  125.270   5.5892  107.706   9.3918  105.523   13.498  109.754   13.076  123.983   8.1136  126.556   7.6894 -0.000000 0.000000 
1 1 1    4    0   29 f  311.740   9.4997  660.574   40.047  660.574   40.047   0.0000   0.0000  311.740   9.4997  311.740   9.4997 -0.000000 0.000000 
1 1 1    4    0   30 o  250.814   6.1189  427.605   20.734  441.577   29.769  414.441   28.895  254.806   8.6438  246.823   8.6630 -0.000000 0.000000 
1 1 1    4    0   31 o  111.455   5.7069   85.510   8.5155   85.764   12.024   85.254   12.062  111.630   8.0443  111.280   8.0972 -0.000000 0.000000 
1 1 1    4    0   32 o  939.291   15.124  5985.83  192.054  6269.29  280.013  5734.02  263.912  960.253   21.543  918.328   21.233 -0.000000 0.000000 
1 1 1    4    0   33 o  122.806   8.2351  103.587   13.563   0.0000   0.0000  103.587   13.563  122.806   8.2351  122.806   8.2351 -0.000000 0.000000 
1 1 1    4    0   34 o  466.253   8.5313  1476.86   53.822  1473.53   76.070  1480.20   76.163  465.725   12.072  466.781   12.059 -0.000000 0.000000 
1 1 1    4    0   35 o  442.022   8.2362  1326.94   49.249  1298.61   68.892  1356.55   70.429  437.189   11.647  446.855   11.649 -0.000000 0.000000 
1 1 1    4    0   36 o  752.896   12.432  3852.78  126.683  3842.80  179.000  3862.78  179.313  751.918   17.589  753.875   17.574 -0.000000 0.000000 
1 1 1    4    0   37 o  156.216   5.8433  165.656   12.221  191.805   18.056  143.550   16.602  167.654   7.9888  144.779   8.5296 -0.000000 0.000000 
1 1 1    4    0   38 o  199.181   5.9710  270.444   16.046  265.096   22.807  275.685   22.580  197.203   8.5711  201.159   8.3155 -0.000000 0.000000 
1 1 1    4    0   39 o  165.948   8.5430  188.154   19.095  188.154   19.095   0.0000   0.0000  165.948   8.5430  165.948   8.5430 -0.000000 0.000000 
1 1 1    4    0   40 o  1046.47   16.735  7457.94  237.038  7512.98  336.965  7404.02  333.507  1050.29   23.702  1042.65   23.631 -0.000000 0.000000 
1 1 1    4    0   41 o  251.923   6.3664  431.849   21.667  434.714   30.974  429.105   30.321  252.736   9.0703  251.110   8.9361 -0.000000 0.000000 
1 1 1    4    0   42 o  772.836   12.771  4052.66  133.391  4270.15  195.059  3861.61  182.823  792.271   18.190  753.401   17.930 -0.000000 0.000000 
1 1 1    4    0   43 o  708.264   11.856  3408.21  113.573  3529.29  164.294  3297.40  157.176  720.303   16.852  696.225   16.681 -0.000000 0.000000 
1 1 1    4    0   44 o  170.023   6.0597  197.414   13.868  199.113   20.085  195.867   19.172  170.700   8.7350  169.347   8.4013 -0.000000 0.000000 
1 1 1    4    0   45 o   74.872   9.7135   43.782   8.1862   29.485   11.907   56.599   11.273   59.861   16.947   89.883   9.4980 -0.000000 0.000000 
1 1 1    4    0   46 o  1591.36   25.149 17393.84  541.223 16750.33  746.033 18108.83  786.369  1560.46   35.320  1622.26   35.810 -0.000000 0.000000 
1 1 1    4    0   47 o  528.138   9.4497  1888.74   67.374  1749.77   91.723  2051.56   99.287  507.099   13.369  549.176   13.359 -0.000000 0.000000 
1 1 1    4    0   48 o  131.454   6.3425  119.001   11.147  116.368   16.258  121.336   15.311  129.979   9.3413  132.930   8.5819 -0.000000 0.000000 
1 1 1    4    0   49 o   71.510   9.0896   37.049   7.8240   46.231   12.125   30.498   10.241   79.968   11.982   63.052   13.672 -0.000000 0.000000 
1 1 1    4    0   50 o  145.469   8.5559  145.033   16.733   0.0000   0.0000  145.033   16.733  145.469   8.5559  145.469   8.5559 -0.000000 0.000000 
1 1 1    4    0   51 o  246.111   6.4033  412.817   21.282  404.055   30.281  421.370   29.918  243.497   9.2066  248.726   8.9020 -0.000000 0.000000 
1 1 1    4    0   52 o  264.953   6.5753  478.331   23.530  460.116   33.242  496.619   33.310  259.852   9.4688  270.053   9.1257 -0.000000 0.000000 
1 1 1    4    0   55 o  325.067   10.149  719.809   44.611  719.809   44.611   0.0000   0.0000  325.067   10.149  325.067   10.149 -0.000000 0.000000 
1 1 1    4    0   56 o  446.769   12.049  1360.34   72.830  1360.34   72.830   0.0000   0.0000  446.769   12.049  446.769   12.049 -0.000000 0.000000 
1 1 1    4    0   57 o  208.544   6.3202  297.021   17.779  293.069   25.404  300.816   24.891  207.149   9.0895  209.939   8.7842 -0.000000 0.000000 
1 1 1    4    0   58 o  380.340   7.7305  985.963   39.766  983.590   56.543  988.286   55.939  379.871   11.005  380.809   10.860 -0.000000 0.000000 
1 1 1    4    0   59 o  115.914   6.8996   93.388   10.628   90.581   15.478   95.892   14.619  114.103   10.197  117.725   9.2970 -0.000000 0.000000 
1 1 1    4    0   60 o  447.679   8.5620  1364.25   51.794  1282.27   71.434  1455.12   75.208  433.480   12.182  461.877   12.034 -0.000000 0.000000 
1 1 1    4    0   61 o  103.303   7.5379   75.505   10.139   66.200   14.633   84.096   14.060   96.605   11.624  110.002   9.6004 -0.000000 0.000000 
1 1 1    4    0   62 o  393.333   7.9362  1054.12   42.193  1093.95   61.117  1017.84   58.320  400.427   11.283  386.240   11.163 -0.000000 0.000000 
1 1 1    4    0   63 o   39.589   12.030   15.068   7.6795   6.3789   11.338   22.433   10.438   28.718   16.966   50.460   17.060 -0.000000 0.000000 
1 1 1    4    0   64 o  201.409   6.5234  276.496   17.684  294.102   26.024  261.391   24.105  207.365   9.3037  195.453   9.1465 -0.000000 0.000000 
1 1 1    4    0   65 o  163.120   9.0662  182.560   19.899   0.0000   0.0000  182.560   19.899  163.120   9.0662  163.120   9.0662 -0.000000 0.000000 
1 1 1    4    0   66 o   62.602   16.051   31.481   11.771   0.0000   0.0000   31.481   11.771   62.602   16.051   62.602   16.051 -0.000000 0.000000 
1 1 1    4    0   67 o  197.085   6.5520  265.170   17.383  285.404   25.346  247.202   23.885  204.223   9.2009  189.947   9.3305 -0.000000 0.000000 
1 1 1    4    0   68 o  100.115   8.0132   71.019   10.489   68.574   15.190   73.247   14.500   98.199   11.877  102.032   10.761 -0.000000 0.000000 
1 1 1    4    0   69 o  112.578   7.5594   88.681   11.271   88.609   16.440   88.745   15.483  112.416   11.036  112.740   10.334 -0.000000 0.000000 
1 1 1    4    0   70 o  230.804   9.6478  364.774   30.056  364.774   30.056   0.0000   0.0000  230.804   9.6478  230.804   9.6478 -0.000000 0.000000 
1 1 1    4    0   71 f   44.101   19.388   19.277   12.128   19.277   12.128   0.0000   0.0000   44.101   19.388   44.101   19.388 -0.000000 0.000000 
1 1 1    4    0   72 o  296.918   7.1455  603.987   28.664  587.641   40.663  620.132   40.413  292.857   10.275  300.980   9.9328 -0.000000 0.000000 
1 1 1    4    0   73 o  255.094   6.8540  444.752   23.577  471.242   34.565  421.701   32.242  262.186   9.7590  248.003   9.6266 -0.000000 0.000000 
1 1 1    4    0   74 o   56.226   12.809   27.784   8.6189   26.494   12.877   28.830   11.601   53.797   19.311   58.655   16.833 -0.000000 0.000000 
1 1 1    4    0   75 o   72.395   10.926   40.501   9.3481   41.849   14.180   39.465   12.432   72.962   16.437   71.828   14.400 -0.000000 0.000000 
1 1 1    4    0   76 o   65.605   11.651   34.446   8.9606   43.282   13.499   27.487   11.981   75.180   14.914   56.031   17.903 -0.000000 0.000000 
1 1 1    4    0   77 o  256.917   6.9215  454.148   23.960  412.885   33.322  498.318   34.476  244.666   10.089  269.168   9.4783 -0.000000 0.000000 
1 1 1    4    0   78 f  282.394   7.1316  550.413   27.203  538.979   38.680  561.604   38.266  279.399   10.247  285.390   9.9216 -0.000000 0.000000 
1 1 1    4    0   79 f  115.986   10.251   94.758   15.823   0.0000   0.0000   94.758   15.823  115.986   10.251  115.986   10.251 -0.000000 0.000000 
1 1 1    4    0   80 o   29.050   16.706   7.8744   10.521   0.0000   0.0000   7.8744   10.521   29.050   16.706   29.050   16.706 -0.000000 0.000000 
1 1 1    4    0   81 o   26.004   11.030   4.0499   7.4222  -1.9903   10.770   9.5125   10.242   21.368   14.155   30.641   16.920 -0.000000 0.000000 
1 1 1    4    0   82 f  134.583   7.1546  127.697   12.800  111.970   17.906  144.132   18.305  125.667   10.693  143.498   9.5091 -0.000000 0.000000 
1 1 1    4    0   83 o  131.709   7.2437  122.310   12.672  140.046   18.435  106.421   17.449  141.148   9.7446  122.270   10.720 -0.000000 0.000000 
1 1 1    4    0   84 o   37.139   18.893   15.137   11.925   15.137   11.925   0.0000   0.0000   37.139   18.893   37.139   18.893 -0.000000 0.000000 
1 1 1    4    0   85 o  125.633   7.3229  112.577   12.202   99.580   17.095  126.075   17.422  117.745   10.930  133.520   9.7483 -0.000000 0.000000 
1 1 1    4    0   86 o   61.710   11.946   32.808   8.6329   31.634   12.531   33.868   11.910   59.683   17.797   63.737   15.939 -0.000000 0.000000 
1 1 1    4    0   87 o   36.372   12.949   14.644   7.8824   16.303   11.511   13.178   10.816   38.304   18.737   34.439   17.879 -0.000000 0.000000 
1 1 1    4    0   88 o   23.169   10.566   1.0488   7.6476   3.8840   11.511  -1.1914   10.232   25.444   15.982   20.894   13.826 -0.000000 0.000000 
1 1 1    4    0   89 o   73.512   11.187   44.047   9.7764   42.965   13.859   45.118   13.793   72.205   16.228   74.819   15.402 -0.000000 0.000000 
1 1 1    4    0   90 o   21.935   10.159  -0.4340   7.6370  -4.2543   11.125   2.9708   10.503   20.031   13.601   23.839   15.095 -0.000000 0.000000 
1 1 1    4    0   91 o   95.805   9.4707   68.725   11.448   82.380   17.649   58.806   15.041  104.480   13.010   87.130   13.767 -0.000000 0.000000 
1 1 1    4    0   92 o   34.100   18.826   13.638   12.675   0.0000   0.0000   13.638   12.675   34.100   18.826   34.100   18.826 -0.000000 0.000000 
1 1 1    4    0   94 o   40.694   19.689   19.871   12.655   0.0000   0.0000   19.871   12.655   40.694   19.689   40.694   19.689 -0.000000 0.000000 
1 1 1    4    1    0 o  655.593   10.939  2915.34   97.182  2941.84  138.170  2889.41  136.714  658.540   15.483  652.646   15.458 5.893555 21.87846 
1 1 1    4    1    1 o  1085.05   14.868  7992.41  206.036  7999.82  357.117  7988.71  252.251  1085.03   24.288  1085.06   17.155 -0.2270508E-01 29.73539 
1 1 1    4    1    2 o  327.038   5.4365  730.620   20.842  713.471   41.502  736.404   24.102  324.427   9.4400  329.648   5.3953 -5.221191 10.87306 
1 1 1    4    1    3 o  777.807   10.972  4081.12  108.562  4170.43  190.628  4038.26  132.071  783.913   17.945  771.701   12.629 12.21191 21.94330 
1 1 1    4    1    4 o  530.956   7.9679  1908.49   53.960  1919.92   93.909  1902.85   65.932  532.084   13.024  529.828   9.1828 2.256409 15.93572 
1 1 1    4    1    5 o  1052.03   14.438  7482.38  193.316  7610.10  338.722  7420.67  235.424  1058.28   23.619  1045.78   16.612 12.50098 28.87601 
1 1 1    4    1    6 o  1769.33   19.424 21295.15  465.730 21254.79  657.651 21335.76  659.637  1767.66   27.455  1771.01   27.485 -3.355957 38.84840 
1 1 1    4    1    7 o  566.964   6.8498  2178.75   52.623  2209.35   75.025  2149.12   73.830  570.881   9.6979  563.046   9.6762 7.834290 13.69957 
1 1 1    4    1    8 f  471.354   5.9428  1505.61   37.955  1532.39   54.175  1479.80   53.192  475.468   8.4080  467.240   8.4008 8.228760 11.88560 
1 1 1    4    1    9 o  553.949   6.7256  2080.19   50.486  2095.43   71.681  2065.19   71.119  555.963   9.5142  551.936   9.5086 4.026550 13.45118 
1 1 1    4    1   10 o  759.048   8.7566  3906.79   90.063  3960.15  128.439  3855.18  126.323  764.144   12.403  753.951   12.364 10.19330 17.51313 
1 1 1    4    1   11 o  823.680   11.538  4601.29  121.391  4615.47  210.491  4594.22  148.589  824.396   18.841  822.965   13.324 1.430847 23.07644 
1 1 1    4    1   12 f  694.359   9.9250  3264.29   87.953  3291.90  152.965  3250.65  107.501  696.390   16.209  692.328   11.458 4.061768 19.85002 
1 1 1    4    1   13 o  1090.00   12.205  8065.65  180.250  8204.36  257.780  7932.95  252.136  1099.16   17.306  1080.84   17.214 18.32092 24.40999 
1 1 1    4    1   14 o  560.322   6.7980  2127.49   51.601  2188.52   74.126  2070.10   71.876  568.113   9.6284  552.530   9.5994 15.58282 13.59609 
1 1 1    4    1   15 o  428.776   5.5781  1246.14   32.408  1269.05   46.206  1223.95   45.466  432.655   7.8809  424.897   7.8962 7.758484 11.15613 
1 1 1    4    1   16 o  628.026   9.1542  2670.01   73.308  2656.36   89.504  2697.81  127.773  625.776   10.555  630.276   14.960 -4.499573 18.30834 
1 1 1    4    1   17 o  373.947   6.2899  957.124   30.140  976.052   37.218  921.059   51.374  379.426   7.2385  368.468   10.289 10.95871 12.57984 
1 1 1    4    1   18 o  829.362   9.4997  4670.83  106.758  4615.95  149.841  4727.41  152.144  824.418   13.412  834.306   13.457 -9.887939 18.99940 
1 1 1    4    1   19 o  209.645   4.8603  302.850   13.003  313.123   16.052  283.246   22.175  214.925   5.5115  204.366   8.0070 10.55943 9.720551 
1 1 1    4    1   20 o  200.584   4.7308  269.980   12.108  264.619   14.740  281.103   21.231  197.576   5.5052  203.592   7.6952 -6.015762 9.461674 
1 1 1    4    1   21 o  758.080   8.7812  3902.47   90.199  3962.92  128.771  3844.25  126.384  763.838   12.440  752.321   12.397 11.51654 17.56250 
1 1 1    4    1   22 o  192.513   3.8778  251.126   10.109  264.515   14.452  238.297   14.146  197.537   5.3989  187.489   5.5678 10.04793 7.755581 
1 1 1    4    1   23 o  427.355   7.9394  1236.07   45.909  1320.10   67.093  1162.08   62.955  440.972   11.228  413.737   11.228 27.23474 15.87877 
1 1 1    4    1   24 o  480.649   8.6205  1568.34   56.144  1543.33   78.744  1594.20   80.071  476.753   12.188  484.546   12.194 -7.792114 17.24107 
1 1 1    4    1   25 o  154.133   5.4297  161.031   11.341  161.031   11.341   0.0000   0.0000  154.133   5.4297  ?   ?       ?      ? 
1 1 1    4    1   26 o  1056.94   11.883  7594.14  170.201  7631.40  241.444  7557.33  239.963  1059.52   16.816  1054.37   16.795 5.149658 23.76634 
1 1 1    4    1   27 o  344.843   4.9406  806.123   23.088  799.849   32.544  812.481   32.759  343.492   6.9915  346.194   6.9827 -2.701965 9.881261 
1 1 1    4    1   28 o  1087.50   12.200  8035.45  179.782  8099.91  255.576  7972.31  252.945  1091.81   17.274  1083.19   17.232 8.626221 24.39941 
1 1 1    4    1   29 o  694.040   8.1792  3267.23   76.921  3230.27  107.989  3305.28  109.595  690.058   11.548  698.021   11.586 -7.963196 16.35843 
1 1 1    4    1   30 o  801.320   9.2394  4356.99  100.329  4334.97  141.417  4379.30  142.361  799.282   13.056  803.357   13.077 -4.074585 18.47883 
1 1 1    4    1   31 o  532.241   8.0699  1912.47   54.757  1948.15   95.675  1895.09   66.774  535.818   13.177  528.664   9.3206 7.154175 16.13984 
1 1 1    4    1   32 o  823.935   11.594  4574.64  121.365  4711.95  214.032  4509.56  147.344  832.665   18.968  815.206   13.338 17.45880 23.18806 
1 1 1    4    1   33 o  228.380   5.9786  352.878   18.477  328.258   25.539  379.918   26.766  220.037   8.5650  236.723   8.3436 -16.68579 11.95723 
1 1 1    4    1   34 o  344.469   7.0581  804.345   32.947  804.345   32.947   0.0000   0.0000  344.469   7.0581  ?   ?       ?      ? 
1 1 1    4    1   35 o  808.309   11.483  4496.82  119.814  4642.07  149.673  4237.70  199.913  827.038   13.355  789.580   18.684 37.45764 22.96583 
1 1 1    4    1   36 o  377.189   7.4424  964.505   38.041  964.505   38.041   0.0000   0.0000  377.189   7.4424  ?   ?       ?      ? 
1 1 1    4    1   37 o  512.543   7.9057  1773.26   51.569  1756.26   62.775  1808.55   90.435  508.896   9.1028  516.189   12.928 -7.292725 15.81150 
1 1 1    4    1   38 o  294.426   9.4211  587.950   37.589   0.0000   0.0000  587.950   37.589  ?   ?   294.426   9.4211      ?      ? 
1 1 1    4    1   39 o  344.104   7.1464  802.790   33.324  802.790   33.324   0.0000   0.0000  344.104   7.1464  ?   ?       ?      ? 
1 1 1    4    1   40 o  594.199   8.8770  2401.37   67.452  2384.91  116.389  2409.70   82.770  592.457   14.497  595.942   10.249 -3.484680 17.75392 
1 1 1    4    1   41 o  643.337   9.4601  2815.08   77.818  2799.98  134.353  2822.71   95.462  641.770   15.448  644.905   10.923 -3.134460 18.92012 
1 1 1    4    1   42 o  514.150   9.2145  1793.43   64.202   0.0000   0.0000  1793.43   64.202  ?   ?   514.150   9.2145      ?      ? 
1 1 1    4    1   43 o  528.950   6.6371  1898.46   47.574  1907.17   67.466  1889.85   67.097  530.156   9.3907  527.745   9.3820 2.411072 13.27426 
1 1 1    4    1   44 o  859.412   9.9074  5022.22  115.383  5041.01  163.526  5003.59  162.829  861.012   14.015  857.812   14.007 3.199829 19.81484 
1 1 1    4    1   45 o  223.960   4.3696  340.089   13.261  343.003   18.861  337.241   18.649  224.908   6.1883  223.012   6.1707 1.896591 8.739138 
1 1 1    4    1   46 o  404.977   5.5676  1112.37   30.549  1138.24   43.694  1087.63   42.728  409.581   7.8722  400.372   7.8752 9.209045 11.13512 
1 1 1    4    1   47 o  201.576   4.3132  275.574   11.782  273.440   16.671  277.704   16.653  200.795   6.1265  202.356   6.0730 -1.561142 8.626465 
1 1 1    4    1   48 o  463.288   7.3822  1412.23   43.012  1582.59   78.777  1339.87   51.340  482.332   12.052  444.245   8.5280 38.08719 14.76438 
1 1 1    4    1   49 o  283.371   5.7028  537.675   20.650  567.412   36.208  523.339   25.140  289.011   9.2450  277.730   6.6796 11.28067 11.40556 
1 1 1    4    1   50 o  453.882   6.0093  1398.96   36.958  1381.52   51.875  1416.94   52.668  451.011   8.4877  456.754   8.5091 -5.742462 12.01853 
1 1 1    4    1   51 o  425.847   7.0708  1241.97   38.662  1261.43   47.798  1205.15   65.753  430.957   8.1846  420.736   11.532 10.22083 14.14156 
1 1 1    4    1   52 o  291.474   6.7547  576.661   26.680  576.661   26.680   0.0000   0.0000  291.474   6.7547  ?   ?       ?      ? 
1 1 1    4    1   53 o  177.058   4.3561  212.589   10.444  224.210   14.978  201.590   14.572  181.768   6.0806  172.348   6.2393 9.419724 8.712150 
1 1 1    4    1   54 o  218.647   5.5314  328.050   15.397  334.546   18.892  315.200   26.571  222.008   6.2795  215.285   9.1078 6.723434 11.06274 
1 1 1    4    1   55 o  310.877   6.9901  656.359   29.448   0.0000   0.0000  656.359   29.448  ?   ?   310.877   6.9901      ?      ? 
1 1 1    4    1   56 o  606.141   9.1455  2495.62   70.470  2554.28  123.862  2467.55   85.690  610.504   14.972  601.778   10.508 8.725647 18.29097 
1 1 1    4    1   57 o  344.115   6.3965  811.333   28.136  789.355   48.318  822.610   34.610  340.304   10.477  347.925   7.3406 -7.620392 12.79305 
1 1 1    4    1   58 o  250.005   4.6197  424.434   15.648  412.674   21.953  436.579   22.310  246.482   6.5725  253.528   6.4936 -7.046219 9.239305 
1 1 1    4    1   59 o  178.127   4.4563  215.501   10.757  216.970   15.278  214.057   15.147  178.729   6.3080  177.525   6.2964 1.203156 8.912672 
1 1 1    4    1   60 o  501.828   6.5068  1715.34   44.244  1740.97   63.136  1690.61   62.020  505.506   9.2165  498.150   9.1873 7.356476 13.01350 
1 1 1    4    1   61 o  355.828   5.2965  861.166   25.539  854.495   36.017  867.912   36.220  354.441   7.4985  357.216   7.4823 -2.774689 10.59306 
1 1 1    4    1   62 o  279.936   4.8265  532.755   18.309  533.331   25.963  532.186   25.824  280.085   6.8404  279.788   6.8109 0.2968140 9.653010 
1 1 1    4    1   63 o  472.753   6.2709  1523.23   40.172  1505.25   56.515  1541.60   57.114  469.930   8.8745  475.575   8.8622 -5.644989 12.54175 
1 1 1    4    1   64 o   86.332   6.7024   47.659   7.5402   63.205   13.049   39.866   9.2388   96.200   10.010   76.464   8.9161 19.73605 13.40483 
1 1 1    4    1   65 o  310.622   5.0838  656.567   21.399  653.306   30.184  659.862   30.343  309.847   7.1887  311.397   7.1905 -1.550476 10.16760 
1 1 1    4    1   66 o  331.939   6.2910  742.012   26.646  723.507   32.413  780.587   46.800  326.004   7.3370  337.874   10.221 -11.87003 12.58197 
1 1 1    4    1   67 o  401.419   6.9627  1085.53   35.542  1056.15   43.074  1148.22   62.913  393.619   8.0753  409.220   11.345 -15.60056 13.92543 
1 1 1    4    1   68 o  168.236   4.7287  192.395   10.754  211.931   15.495  174.241   14.937  176.488   6.4787  159.984   6.8897 16.50459 9.457397 
1 1 1    4    1   69 o  295.367   10.120  597.633   40.505   0.0000   0.0000  597.633   40.505  ?   ?   295.367   10.120      ?      ? 
1 1 1    4    1   70 o  211.426   4.7012  304.426   13.467  312.066   19.140  296.935   18.952  214.061   6.5983  208.791   6.6983 5.270233 9.402375 
1 1 1    4    1   71 o  207.548   5.8216  297.525   15.323  285.500   26.611  303.490   18.741  204.045   9.6240  211.051   6.5529 -7.005188 11.64311 
1 1 1    4    1   72 f  215.355   5.9507  326.214   16.239  291.461   27.667  344.477   20.056  205.938   9.9139  224.771   6.5846 -18.83327 11.90137 
1 1 1    4    1   73 o  211.773   6.6257  306.040   19.015   0.0000   0.0000  306.040   19.015  ?   ?   211.773   6.6257      ?      ? 
1 1 1    4    1   74 o  163.661   4.7459  182.883   10.523  187.116   15.091  178.876   14.680  165.500   6.7289  161.822   6.6945 3.678314 9.491779 
1 1 1    4    1   75 o   85.195   6.0373   49.865   6.9637   50.922   10.106   48.909   9.6090   86.034   8.6683   84.355   8.4059 1.679253 12.07467 
1 1 1    4    1   76 o  194.794   6.6996  259.743   17.685  259.743   17.685   0.0000   0.0000  194.794   6.6996  ?   ?       ?      ? 
1 1 1    4    1   77 o  155.971   4.7912  166.815   10.124  162.641   14.334  170.970   14.301  153.998   6.8688  157.943   6.6816 -3.944992 9.582483 
1 1 1    4    1   78 o   85.813   7.1200   50.758   7.7910   53.167   13.659   49.596   9.4854   86.904   11.598   84.721   8.2619 2.182938 14.23994 
1 1 1    4    1   79 o  111.938   5.2358   86.258   7.9344   90.021   11.538   82.881   10.929  114.237   7.4529  109.638   7.3559 4.598534 10.47163 
1 1 1    4    1   80 o   81.100   6.1512   46.009   6.6743   55.029   9.5421   37.368   9.3391   89.111   7.9018   73.088   9.4292 16.02309 12.30234 
1 1 1    4    1   81 o  186.303   5.7684  242.484   13.765  244.538   16.965  238.526   23.549  188.288   6.6490  184.319   9.4280 3.968903 11.53680 
1 1 1    4    1   82 o   63.355   7.1979   28.468   6.1748   28.677   8.9233   28.275   8.5533   63.526   10.366   63.184   9.9896 0.3421936 14.39573 
1 1 1    4    1   83 o   75.569   8.9336   48.150   7.8408   59.495   9.7541   27.433   13.181   92.300   7.7984   58.839   16.075 33.46156 17.86714 
1 1 1    4    1   84 o   89.210   6.1100   56.796   7.0127   36.146   9.6216   80.195   10.242   71.096   9.9867  107.323   7.0423 -36.22761 12.22001 
1 1 1    4    1   85 o   56.446   8.8057   19.486   6.8930   43.714   12.290   8.3652   8.3259   77.168   11.752   35.725   13.117 41.44276 17.61147 
1 1 1    4    1   86 o  168.136   4.8734  197.455   11.104  198.196   15.692  196.712   15.714  168.465   6.8738  167.806   6.9102 0.6587982 9.746783 
1 1 1    4    1   87 o  128.797   5.1214  116.500   8.9369  118.748   12.608  114.229   12.670  130.103   7.1509  127.491   7.3335 2.611847 10.24284 
1 1 1    4    1   88 o   88.054   7.2362   55.981   8.2157   54.647   10.138   58.532   14.021   87.491   8.5512   88.618   11.676 -1.127380 14.47234 
1 1 1    4    1   89 o   38.599   10.161   8.5221   6.8161   17.137   12.144   4.5603   8.2355   46.114   15.956   31.084   12.586 15.02978 20.32249 
1 1 1    4    1   90 o   47.983   9.9595   19.371   6.9761   14.432   11.897   21.959   8.6122   43.091   15.701   52.876   12.258 -9.785866 19.91904 
1 1 1    4    1   91 o   70.639   9.0906   41.069   7.9036   32.766   13.196   45.714   9.8699   62.040   15.686   79.238   9.1917 -17.19786 18.18113 
1 1 1    4    1   92 o   65.775   9.2296   33.913   7.6714   38.345   12.884   31.478   9.5485   67.949   14.438   63.601   11.502 4.348206 18.45920 
1 1 1    4    1   93 o   43.959   11.073   16.474   8.3149   17.165   11.740   15.778   11.778   44.664   15.676   43.254   15.643 1.410069 22.14563 
1 1 1    4    1   94 o  107.454   11.794   90.762   17.173   90.762   17.173   0.0000   0.0000  107.454   11.794  ?   ?       ?      ? 
1 1 1    4    1   95 f   44.240   16.252   18.127   12.783   18.127   12.783   0.0000   0.0000   44.240   16.252  ?   ?       ?      ? 
1 1 1    4    2    0 o  2158.51   33.631 31923.64  983.558 31391.46  1374.91 32481.42  1407.59  2140.17   47.407  2176.85   47.716 -36.67676 67.26254 
1 1 1    4    2    1 f  696.985   11.540  3295.35  108.986  3248.97  152.717  3343.50  155.583  691.990   16.286  701.980   16.355 -9.989990 23.08052 
1 1 1    4    2    2 o  620.029   9.0461  2602.12   71.516  2621.52  124.585  2592.59   87.339  621.661   14.789  618.398   10.422 3.263062 18.09221 
1 1 1    4    2    3 o  450.752   8.1927  1377.54   50.041  1364.60   70.434  1390.73   71.110  448.614   11.586  452.889   11.587 -4.275391 16.38530 
1 1 1    4    2    4 o  706.914   11.682  3386.81  111.842  3513.68  161.704  3270.46  154.854  719.586   16.583  694.241   16.460 25.34412 23.36491 
1 1 1    4    2    5 o  994.316   13.744  6777.10  175.964  6503.23  296.689  6925.71  218.551  978.334   22.378  1010.30   15.963 -31.96478 27.48859 
1 1 1    4    2    6 o  627.534   9.1189  2605.21   71.867  2844.09  131.268  2502.96   85.881  647.469   14.961  607.598   10.430 39.87140 18.23781 
1 1 1    4    2    7 o  415.508   6.6364  1164.29   35.223  1188.66   61.342  1152.31   43.022  418.699   10.811  412.317   7.6997 6.382172 13.27282 
1 1 1    4    2    8 f  1028.81   14.159  7235.18  187.157  7042.82  318.198  7336.94  231.421  1017.87   23.069  1039.74   16.425 -21.86597 28.31838 
1 1 1    4    2    9 o  819.604   9.4022  4553.03  104.382  4682.74  150.354  4432.35  145.029  830.860   13.354  808.349   13.240 22.51093 18.80446 
1 1 1    4    2   10 o  1002.96   11.278  6825.65  153.255  6720.77  214.477  6935.08  219.067  995.089   15.905  1010.82   15.993 -15.73126 22.55522 
1 1 1    4    2   11 o  591.745   7.1029  2374.05   56.954  2349.41   80.007  2399.35   81.094  588.634   10.030  594.856   10.060 -6.222046 14.20574 
1 1 1    4    2   12 o  968.730   10.925  6370.04  143.410  6327.85  201.868  6413.02  203.769  965.495   15.429  971.965   15.470 -6.470825 21.84922 
1 1 1    4    2   13 o  789.919   9.0841  4233.51   97.238  4204.21  136.871  4263.38  138.168  787.161   12.831  792.678   12.863 -5.517700 18.16822 
1 1 1    4    2   14 o  812.431   9.3178  4478.21  102.569  4558.26  146.630  4401.51  143.529  819.536   13.203  805.327   13.152 14.20892 18.63565 
1 1 1    4    2   15 o   67.282   3.7567   30.649   3.4233   29.674   4.7472   31.706   4.9412   66.168   5.2943   68.396   5.3311 -2.228355 7.513352 
1 1 1    4    2   16 o  830.775   11.668  4701.58  124.032  4722.04  152.330  4661.35  213.648  833.909   13.480  827.641   19.049 6.267517 23.33612 
1 1 1    4    2   17 o  240.992   5.0378  393.356   15.467  392.550   18.880  395.000   26.968  240.644   5.7896  241.339   8.2460 -0.6949310 10.07550 
1 1 1    4    2   18 o  618.732   9.0403  2564.46   70.733  2503.55   85.321  2698.31  126.488  607.392   10.366  630.072   14.814 -22.67999 18.08061 
1 1 1    4    2   19 o  217.564   5.6625  320.862   16.680  340.317   23.875  302.313   23.313  224.007   7.8650  211.122   8.1485 12.88510 11.32502 
1 1 1    4    2   20 o  445.716   7.0555  1342.57   40.110  1364.78   69.979  1331.70   48.948  448.334   11.518  443.098   8.1518 5.236450 14.11106 
1 1 1    4    2   21 o  488.434   6.1608  1618.17   40.775  1599.58   57.238  1637.31   58.100  485.588   8.6984  491.279   8.7271 -5.691742 12.32165 
1 1 1    4    2   22 o  370.800   7.2543  932.356   36.452  932.356   36.452   0.0000   0.0000  370.800   7.2543  ?   ?       ?      ? 
1 1 1    4    2   23 o  988.256   11.169  6641.00  149.573  6686.48  212.384  6596.24  210.681  991.610   15.805  984.901   15.785 6.709351 22.33776 
1 1 1    4    2   24 o  501.273   12.579  1706.11   85.449  1706.11   85.449   0.0000   0.0000  501.273   12.579  ?   ?       ?      ? 
1 1 1    4    2   25 o  160.992   4.6544  173.296   9.5923  182.982   16.763  168.580   11.696  164.278   7.5300  157.706   5.4730 6.571915 9.308839 
1 1 1    4    2   26 o  813.658   9.3555  4494.18  103.155  4488.21  145.693  4500.19  146.073  813.117   13.222  814.200   13.239 -1.082458 18.71092 
1 1 1    4    2   27 o  654.159   7.7679  2902.82   68.860  2893.05   97.093  2912.71   97.675  653.052   10.971  655.266   11.000 -2.213196 15.53586 
1 1 1    4    2   28 o  677.687   8.0095  3113.99   73.538  3182.67  105.408  3048.86  102.644  684.961   11.356  670.413   11.298 14.54877 16.01897 
1 1 1    4    2   29 o  204.133   8.1038  282.506   22.417  282.506   22.417   0.0000   0.0000  204.133   8.1038  ?   ?       ?      ? 
1 1 1    4    2   30 o  970.069   10.982  6385.68  144.328  6538.38  207.154  6241.64  201.196  981.327   15.578  958.812   15.485 22.51514 21.96442 
1 1 1    4    2   31 o  663.091   7.8620  2981.50   70.636  2934.29   98.889  3030.67  100.930  657.736   11.095  668.447   11.142 -10.71130 15.72392 
1 1 1    4    2   32 f  318.526   4.7885  687.720   20.669  690.235   29.230  685.204   29.232  319.109   6.7594  317.943   6.7846 1.165527 9.577049 
1 1 1    4    2   33 o  1031.98   11.631  7232.77  162.653  7244.81  230.242  7220.76  229.811  1032.83   16.450  1031.12   16.447 1.715088 23.26165 
1 1 1    4    2   34 o  825.781   9.5032  4627.76  106.343  4603.29  149.815  4652.62  150.976  823.582   13.423  827.981   13.456 -4.398438 19.00640 
1 1 1    4    2   35 o  618.918   10.547  2598.22   88.462  2598.22   88.462   0.0000   0.0000  618.918   10.547  ?   ?       ?      ? 
1 1 1    4    2   36 o  795.080   13.040  4290.64  140.503  4290.64  140.503   0.0000   0.0000  795.080   13.040  ?   ?       ?      ? 
1 1 1    4    2   37 o  1055.47   16.861  7594.98  241.164  7575.17  340.194  7615.00  341.928  1054.10   23.816  1056.85   23.875 -2.751831 33.72220 
1 1 1    4    2   38 o  604.404   8.9803  2459.92   68.935  2423.55   83.652  2536.86  121.689  597.693   10.328  611.115   14.694 -13.42157 17.96065 
1 1 1    4    2   39 f  656.895   7.8380  2927.72   69.765  2886.15   97.772  2970.84   99.578  652.147   11.063  661.643   11.106 -9.495361 15.67607 
1 1 1    4    2   40 o  774.212   9.0080  4069.71   94.500  4021.45  132.592  4119.53  134.721  769.552   12.714  778.872   12.764 -9.320679 18.01600 
1 1 1    4    2   41 o  453.063   7.3278  1401.98   42.572  1364.75   72.676  1421.44   52.528  448.337   11.962  457.788   8.4673 -9.450623 14.65557 
1 1 1    4    2   42 o  391.765   6.7056  1049.37   33.672  1016.53   57.460  1066.55   41.555  386.968   10.957  396.562   7.7326 -9.594482 13.41118 
1 1 1    4    2   43 o  320.495   6.9494  696.557   30.182  696.557   30.182   0.0000   0.0000  320.495   6.9494  ?   ?       ?      ? 
1 1 1    4    2   44 o  357.241   5.1897  865.287   25.119  887.789   35.900  843.703   35.158  361.790   7.3224  352.691   7.3562 9.098907 10.37931 
1 1 1    4    2   45 o  282.761   4.6649  542.016   17.871  526.318   25.008  558.398   25.547  278.578   6.6244  286.944   6.5699 -8.366547 9.329816 
1 1 1    4    2   46 o  205.857   5.2882  291.254   13.927  275.925   23.715  299.325   17.207  201.621   8.6795  210.092   6.0439 -8.470673 10.57650 
1 1 1    4    2   47 o  198.902   5.2476  267.157   13.382  272.395   23.122  264.519   16.409  200.316   8.5180  197.488   6.1313 2.828156 10.49519 
1 1 1    4    2   48 o  611.705   7.4555  2542.84   61.795  2583.57   88.184  2503.55   86.620  616.515   10.555  606.896   10.532 9.619385 14.91098 
1 1 1    4    2   49 o  286.869   4.7316  558.364   18.394  556.078   25.905  560.689   26.122  286.278   6.6774  287.461   6.7056 -1.182922 9.463267 
1 1 1    4    2   50 o  115.724   4.5146   90.865   7.0797   89.978   9.9922   91.758   10.032  115.157   6.4031  116.291   6.3661 -1.134407 9.029199 
1 1 1    4    2   51 o  246.195   4.5262  410.549   15.081  382.089   20.876  441.611   21.809  237.283   6.4922  255.107   6.3086 -17.82452 9.052472 
1 1 1    4    2   52 o  345.686   7.3162  811.419   34.273  811.419   34.273   0.0000   0.0000  345.686   7.3162  ?   ?       ?      ? 
1 1 1    4    2   53 o  380.436   7.6865  983.134   39.627  983.134   39.627   0.0000   0.0000  380.436   7.6865  ?   ?       ?      ? 
1 1 1    4    2   54 o  182.450   4.3709  225.953   10.806  225.092   15.352  226.797   15.213  182.104   6.2212  182.796   6.1413 -0.6923523 8.741780 
1 1 1    4    2   55 o  485.326   6.3155  1601.70   41.530  1632.97   59.351  1571.70   58.132  489.964   8.9388  480.687   8.9242 9.277496 12.63108 
1 1 1    4    2   56 o  526.890   6.6996  1889.75   47.834  1904.29   67.922  1875.45   67.377  528.899   9.4766  524.880   9.4726 4.018860 13.39915 
1 1 1    4    2   57 o  245.497   5.7738  420.021   18.084  378.391   30.508  442.572   22.454  235.719   9.5507  255.275   6.4909 -19.55536 11.54766 
1 1 1    4    2   58 o  268.750   5.7866  484.366   19.743  511.104   35.060  471.951   23.890  273.928   9.4447  263.572   6.6887 10.35669 11.57328 
1 1 1    4    2   59 o  120.899   4.7160   99.258   7.7240  101.427   11.096   97.219   10.759  122.178   6.7017  119.619   6.6371 2.558075 9.432041 
1 1 1    4    2   60 o   95.821   5.1763   62.202   6.7048   68.674   9.7912   56.487   9.2004  100.503   7.1891   91.139   7.4494 9.364235 10.35257 
1 1 1    4    2   61 o  380.773   5.5055  986.444   28.407  997.791   40.416  975.365   39.934  382.936   7.7883  378.609   7.7834 4.326782 11.01090 
1 1 1    4    2   62 f  388.211   11.132  1030.44   58.562  1030.44   58.562   0.0000   0.0000  388.211   11.132  ?   ?       ?      ? 
1 1 1    4    2   63 o  131.989   5.7091  115.555   9.6079  127.651   17.084  109.959   11.620  136.810   9.2147  127.168   6.7427 9.641716 11.41815 
1 1 1    4    2   64 o  550.419   9.8755  2068.97   73.661  2068.97   73.661   0.0000   0.0000  550.419   9.8755  ?   ?       ?      ? 
1 1 1    4    2   65 o  173.152   6.5821  203.891   15.445  203.891   15.445   0.0000   0.0000  173.152   6.5821  ?   ?       ?      ? 
1 1 1    4    2   66 o  305.661   5.0404  635.909   20.878  635.153   29.514  636.666   29.537  305.478   7.1297  305.843   7.1266 -0.3643188 10.08073 
1 1 1    4    2   67 o  223.995   6.0564  350.464   17.021  365.240   20.752  320.089   29.753  231.695   6.6094  216.296   10.151 15.39850 12.11285 
1 1 1    4    2   68 o  425.704   8.4008  1236.73   48.463  1236.73   48.463   0.0000   0.0000  425.704   8.4008  ?   ?       ?      ? 
1 1 1    4    2   69 o  281.866   4.9577  541.235   18.935  532.564   26.721  549.982   26.837  279.589   7.0526  284.142   6.9697 -4.553558 9.915464 
1 1 1    4    2   70 o  157.613   4.8064  169.277   10.263  168.545   14.665  169.979   14.369  157.268   6.8810  157.957   6.7126 -0.6894379 9.612876 
1 1 1    4    2   71 o  247.837   4.7962  418.707   16.104  405.773   22.646  431.936   22.904  243.950   6.8504  251.723   6.7145 -7.772675 9.592309 
1 1 1    4    2   72 o  150.151   5.9226  151.401   11.232  162.562   20.206  146.410   13.512  153.814   9.6941  146.489   6.8068 7.324432 11.84512 
1 1 1    4    2   73 f   70.516   8.8519   36.287   7.4554   32.500   13.564   37.926   8.9244   66.703   15.327   74.328   8.8602 -7.625053 17.70379 
1 1 1    4    2   74 o   90.391   5.7527   56.279   7.0087   49.944   9.9580   62.497   9.8662   85.262   8.6186   95.521   7.6220 -10.25854 11.50542 
1 1 1    4    2   75 o  121.386   5.1424  101.004   8.4529   99.179   12.118  102.735   11.797  120.287   7.4341  122.485   7.1072 -2.198112 10.28488 
1 1 1    4    2   76 o  289.604   5.0451  574.985   19.796  582.546   28.317  567.758   27.686  291.449   7.1698  287.760   7.0998 3.689392 10.09024 
1 1 1    4    2   77 o   40.987   9.6225   11.751   6.2090   7.5530   10.956   13.738   7.5361   38.439   14.838   43.534   12.255 -5.095219 19.24492 
1 1 1    4    2   78 o  148.983   4.7711  152.435   9.6302  152.664   13.778  152.215   13.466  149.071   6.8202  148.895   6.6739 0.1759338 9.542284 
1 1 1    4    2   79 o  180.687   4.6805  224.503   11.452  213.807   16.130  235.374   16.262  176.294   6.7519  185.081   6.4837 -8.786819 9.360931 
1 1 1    4    2   80 o  122.325   5.0434  103.326   8.3598  102.078   11.813  104.577   11.832  121.573   7.1705  123.077   7.0941 -1.503975 10.08675 
1 1 1    4    2   81 f   74.444   9.2724   47.828   7.9175   58.497   9.6193   25.419   13.941   91.773   7.7348   57.115   16.855 34.65806 18.54471 
1 1 1    4    2   82 o   38.815   12.902   10.713   7.9320   10.713   7.9320   0.0000   0.0000   38.815   12.902  ?   ?       ?      ? 
1 1 1    4    2   83 o   75.098   6.2891   39.723   6.3870   43.349   9.2023   36.352   8.8721   78.480   8.6527   71.716   9.1291 6.763863 12.57814 
1 1 1    4    2   84 o   94.993   5.5340   63.306   7.1098   68.189   10.107   58.522   10.003   98.731   7.5541   91.255   8.0893 7.475998 11.06807 
1 1 1    4    2   85 o  114.402   6.1955   90.154   9.1302   84.461   11.145  101.771   15.920  109.767   7.4927  119.038   9.8691 -9.271156 12.39109 
1 1 1    4    2   86 o   23.266   7.6021  -5.3139   5.6762 -13.8203   9.9562  -1.2176   6.9091   22.364   10.810   24.169   10.692 -1.805773 15.20420 
1 1 1    4    2   87 o   70.979   7.1887   37.644   6.4901   27.044   9.1835   48.220   9.1732   59.527   11.802   82.431   8.2119 -22.90432 14.37748 
1 1 1    4    2   88 o   53.049   8.6448   21.870   6.0870   21.867   8.5993   21.873   8.6173   53.051   12.214   53.047   12.237 0.3990173E-02 17.28952 
1 1 1    4    2   89 o  120.737   6.5334  106.196   10.068  102.618   17.179  108.068   12.425  117.825   10.759  123.649   7.4150 -5.824188 13.06689 
1 1 1    4    2   90 o   39.226   9.9483   11.429   6.5572   11.474   10.978   11.404   8.1761   39.793   14.975   38.658   13.101 1.135227 19.89661 
1 1 1    4    2   91 f   45.342   10.283   16.148   6.9120   20.530   11.685   13.790   8.5726   49.118   15.612   41.567   13.389 7.550873 20.56663 
1 1 1    4    2   92 o   59.758   9.8877   29.835   7.5720   28.750   13.062   30.385   9.2926   57.046   16.161   62.469   11.397 -5.423035 19.77541 
1 1 1    4    2   93 o   49.954   10.816   20.759   9.0283   7.7715   12.448   35.175   13.114   36.443   15.187   63.466   15.404 -27.02357 21.63136 
1 1 1    4    2   94 o   29.963   13.583  -0.9494   11.909  -0.9494   11.909   0.0000   0.0000   29.963   13.583  ?   ?       ?      ? 
1 1 1    4    2   95 o   45.677   16.413   19.864   12.941   19.864   12.941   0.0000   0.0000   45.677   16.413  ?   ?       ?      ? 
1 1 1    4    2   96 o   54.648   16.956   30.396   13.866   30.396   13.866   0.0000   0.0000   54.648   16.956  ?   ?       ?      ? 
1 1 1    4    3    0 o  679.279   9.7897  3174.05   85.936  2978.99  142.902  3284.55  107.557  662.579   15.915  695.980   11.404 -33.40118 19.57938 
1 1 1    4    3    1 o  890.043   12.373  5366.31  140.556  5409.71  244.372  5344.85  171.822  892.459   20.206  887.627   14.285 4.832642 24.74533 
1 1 1    4    3    2 f  1092.74   14.982  8061.69  208.003  8257.88  366.288  7968.32  252.700  1101.99   24.528  1083.48   17.211 18.50513 29.96390 
1 1 1    4    3    3 o  1181.53   16.135  9464.45  242.948  9560.83  423.842  9417.29  296.490  1185.37   26.386  1177.69   18.578 7.680908 32.26969 
1 1 1    4    3    4 o  570.925   8.5027  2222.22   62.198  2174.47  106.511  2246.93   76.618  566.161   13.883  575.690   9.8211 -9.528320 17.00534 
1 1 1    4    3    5 o  739.904   10.522  3689.38   98.877  3643.21  120.047  3786.77  174.359  732.932   12.087  746.876   17.227 -13.94415 21.04420 
1 1 1    4    3    6 o  535.727   8.0660  1936.27   54.941  1917.58   66.816  1975.28   96.541  531.835   9.2708  539.619   13.202 -7.783936 16.13206 
1 1 1    4    3    7 o  303.130   6.4163  622.779   26.357  622.779   26.357   0.0000   0.0000  303.130   6.4163  ?   ?       ?      ? 
1 1 1    4    3    8 o  591.362   7.1121  2371.26   56.995  2368.97   80.512  2373.55   80.693  591.076   10.052  591.647   10.065 -0.5708008 14.22426 
1 1 1    4    3    9 o  929.120   10.524  5859.18  132.511  5853.25  187.193  5865.14  187.605  928.650   14.875  929.591   14.893 -0.9408569 21.04881 
1 1 1    4    3   10 o  792.234   9.1199  4257.48   97.897  4194.44  137.093  4323.06  139.841  786.255   12.867  798.214   12.928 -11.95844 18.23975 
1 1 1    4    3   11 o  208.768   3.9345  295.289   11.129  289.001   15.572  301.853   15.911  206.497   5.5649  211.039   5.5635 -4.541550 7.868965 
1 1 1    4    3   12 o  821.687   11.541  4582.48  121.054  4574.04  148.090  4599.48  210.156  820.908   13.312  822.466   18.856 -1.557251 23.08137 
1 1 1    4    3   13 o  206.673   4.7546  286.513   12.537  280.731   15.259  298.524   21.991  203.515   5.5329  209.832   7.7339 -6.316940 9.509233 
1 1 1    4    3   14 o  716.813   11.859  3492.48  115.182  3441.34  161.288  3545.70  164.544  711.466   16.729  722.160   16.814 -10.69470 23.71829 
1 1 1    4    3   15 o  319.835   5.7697  694.630   23.603  690.964   40.732  696.483   28.961  319.152   9.4178  320.517   6.6678 -1.365173 11.53931 
1 1 1    4    3   16 o  597.037   7.1866  2418.01   58.135  2377.31   81.317  2460.56   83.143  591.902   10.138  602.173   10.189 -10.27032 14.37320 
1 1 1    4    3   17 o  407.389   5.4342  1125.46   29.999  1117.37   42.199  1133.73   42.656  405.910   7.6716  408.869   7.6986 -2.958954 10.86838 
1 1 1    4    3   18 o  955.800   13.288  6218.35  162.024  6206.79  198.110  6241.70  281.568  955.347   15.302  956.254   21.728 -0.9071045 26.57610 
1 1 1    4    3   19 o  220.600   4.9948  333.048   14.025  339.114   17.195  320.996   24.239  223.659   5.6733  217.541   8.2223 6.117569 9.989590 
1 1 1    4    3   20 o  853.386   9.7684  4948.81  112.963  4993.16  160.571  4905.36  158.947  857.170   13.824  849.603   13.806 7.566589 19.53672 
1 1 1    4    3   21 o  475.573   6.0502  1533.83   38.987  1513.86   54.647  1554.54   55.639  472.421   8.5360  478.724   8.5765 -6.302765 12.10040 
1 1 1    4    3   22 o  607.879   7.3042  2507.30   60.167  2492.59   84.676  2522.30   85.507  606.080   10.310  609.678   10.349 -3.597961 14.60834 
1 1 1    4    3   23 o  557.407   6.8208  2107.54   51.519  2091.05   72.413  2124.44   73.312  555.200   9.6247  559.613   9.6673 -4.413086 13.64151 
1 1 1    4    3   24 o  816.507   11.504  4507.15  119.553  4600.31  209.636  4462.24  145.540  822.310   18.813  810.704   13.248 11.60590 23.00896 
1 1 1    4    3   25 o  326.351   5.8990  724.130   24.644  716.140   42.396  728.208   30.286  324.948   9.6277  327.753   6.8189 -2.804779 11.79793 
1 1 1    4    3   26 f  1138.40   15.616  8794.27  226.588  8902.41  395.330  8741.37  276.516  1142.71   25.529  1134.09   17.992 8.624268 31.23264 
1 1 1    4    3   27 o  427.924   6.9170  1244.85   37.935  1232.45   65.123  1251.22   46.671  426.248   11.274  429.601   8.0167 -3.353333 13.83395 
1 1 1    4    3   28 o  342.052   7.0037  793.088   32.464  793.088   32.464   0.0000   0.0000  342.052   7.0037  ?   ?       ?      ? 
1 1 1    4    3   29 o  824.806   9.4966  4616.53  106.146  4630.33  150.277  4602.79  149.949  826.036   13.425  823.576   13.436 2.460693 18.99328 
1 1 1    4    3   30 o  249.960   6.1287  423.477   20.760   0.0000   0.0000  423.477   20.760  ?   ?   249.960   6.1287      ?      ? 
1 1 1    4    3   31 o  461.396   5.9837  1442.15   37.398  1399.71   52.006  1487.59   53.818  454.373   8.4461  468.418   8.4784 -14.04471 11.96740 
1 1 1    4    3   33 o  1072.81   14.787  7775.62  201.452  7678.14  244.590  7981.23  355.216  1063.14   16.977  1082.48   24.215 -19.33618 29.57376 
1 1 1    4    3   34 o  266.397   6.2831  481.034   22.682  481.034   22.682   0.0000   0.0000  266.397   6.2831  ?   ?       ?      ? 
1 1 1    4    3   35 o  344.750   5.0169  805.371   23.433  789.249   32.716  822.353   33.578  341.209   7.0756  348.290   7.1142 -7.081360 10.03371 
1 1 1    4    3   36 o  816.026   11.518  4463.52  118.825  4358.47  143.308  4694.63  212.562  801.273   13.198  830.780   18.881 -29.50720 23.03621 
1 1 1    4    3   37 o  791.117   11.221  4215.77  112.645  4148.44  136.548  4359.21  199.299  781.710   12.890  800.523   18.372 -18.81384 22.44264 
1 1 1    4    3   38 o  362.897   5.1916  892.924   25.531  893.621   36.062  892.225   36.150  363.039   7.3303  362.755   7.3539 0.2845154 10.38328 
1 1 1    4    3   39 o  593.371   7.2305  2388.24   58.131  2437.25   83.100  2341.27   81.346  599.330   10.232  587.412   10.219 11.91791 14.46098 
1 1 1    4    3   40 o  553.099   9.6970  2075.57   72.682  2075.57   72.682   0.0000   0.0000  553.099   9.6970  ?   ?       ?      ? 
1 1 1    4    3   41 o  352.817   6.2637  842.664   28.292  849.931   48.902  839.008   34.686  353.889   10.197  351.746   7.2769 2.142975 12.52731 
1 1 1    4    3   42 o  577.392   14.254  2266.64  111.530   0.0000   0.0000  2266.64  111.530  ?   ?   577.392   14.254      ?      ? 
1 1 1    4    3   43 o  176.620   5.3085  212.510   11.935  208.881   20.729  214.309   14.597  175.455   8.7184  177.785   6.0590 -2.330215 10.61704 
1 1 1    4    3   44 o  234.936   8.7880  374.581   27.978  374.581   27.978   0.0000   0.0000  234.936   8.7880  ?   ?       ?      ? 
1 1 1    4    3   45 o  420.799   6.9863  1205.27   37.677  1193.77   64.679  1211.17   46.353  419.123   11.388  422.475   8.0965 -3.351898 13.97264 
1 1 1    4    3   46 o  816.623   9.4789  4538.79  104.894  4574.12  149.026  4504.10  147.668  819.770   13.415  813.477   13.395 6.293274 18.95778 
1 1 1    4    3   47 o  290.861   4.7558  573.919   18.745  568.714   26.414  579.200   26.605  289.532   6.7322  292.190   6.7191 -2.657623 9.511512 
1 1 1    4    3   48 o  318.087   4.9394  686.473   21.289  699.926   30.305  673.365   29.913  321.165   6.9632  315.009   7.0075 6.155701 9.878807 
1 1 1    4    3   49 o  655.183   7.8753  2919.42   69.908  2983.00  100.077  2858.83   97.694  662.143   11.153  648.222   11.121 13.92084 15.75060 
1 1 1    4    3   50 o  233.557   5.4866  364.937   16.243  355.354   19.623  385.793   28.947  228.844   6.3275  238.270   8.9651 -9.426254 10.97319 
1 1 1    4    3   51 o  417.502   7.0365  1186.61   37.415  1188.54   45.709  1182.69   65.130  418.293   8.0639  416.711   11.534 1.581635 14.07297 
1 1 1    4    3   52 o  230.187   4.4826  359.627   13.982  363.861   19.784  355.402   19.763  231.542   6.3053  228.831   6.3733 2.711319 8.965253 
1 1 1    4    3   53 o  182.726   5.2582  223.987   12.359  218.130   15.153  235.628   21.362  179.268   6.2375  186.183   8.4669 -6.915146 10.51642 
1 1 1    4    3   54 o  511.573   6.5499  1780.49   45.407  1773.15   64.033  1787.93   64.398  510.513   9.2559  512.633   9.2701 -2.119598 13.09982 
1 1 1    4    3   55 o  348.936   5.2069  827.261   24.621  829.066   34.870  825.466   34.769  349.315   7.3664  348.557   7.3610 0.7585144 10.41386 
1 1 1    4    3   56 o  141.038   4.5575  134.702   8.6743  152.930   12.613  118.344   11.949  150.078   6.2018  131.999   6.6798 18.07878 9.114937 
1 1 1    4    3   57 o  282.092   6.7883  540.616   25.950  540.616   25.950   0.0000   0.0000  282.092   6.7883  ?   ?       ?      ? 
1 1 1    4    3   58 o  249.713   5.7379  424.258   18.236  424.063   31.808  424.353   22.257  249.498   9.4079  249.928   6.5715 -0.4299927 11.47571 
1 1 1    4    3   59 o  594.698   9.0671  2416.28   68.686  2438.05  119.803  2405.62   83.833  595.626   14.843  593.770   10.419 1.856018 18.13423 
1 1 1    4    3   60 o  196.813   5.4214  256.239   13.607  284.823   24.219  243.053   16.449  204.495   8.7394  189.132   6.4179 15.36282 10.84284 
1 1 1    4    3   61 o  253.901   9.3751  439.560   32.257  439.560   32.257   0.0000   0.0000  253.901   9.3751  ?   ?       ?      ? 
1 1 1    4    3   62 f  178.940   4.5394  217.657   11.006  215.568   15.646  219.703   15.485  178.085   6.4833  179.796   6.3556 -1.711029 9.078898 
1 1 1    4    3   63 o  323.742   5.1189  713.093   22.457  714.644   31.835  711.557   31.684  324.090   7.2487  323.393   7.2298 0.6972961 10.23788 
1 1 1    4    3   64 o   87.995   5.8427   52.532   6.9517   56.617   10.242   49.042   9.4659   91.151   8.2919   84.838   8.2335 6.313179 11.68533 
1 1 1    4    3   65 o  133.378   4.8460  120.885   8.7517  128.010   12.601  114.247   12.164  137.176   6.7788  129.581   6.9270 7.595139 9.692062 
1 1 1    4    3   66 o  155.838   5.9593  167.616   11.766  171.435   14.386  159.901   20.446  158.738   6.6877  152.938   9.8654 5.800659 11.91854 
1 1 1    4    3   67 o  389.242   5.6369  1031.53   29.712  1080.68   42.938  986.370   41.158  398.130   7.9585  380.354   7.9852 17.77594 11.27390 
1 1 1    4    3   68 o   73.834   8.6617   42.117   7.7400   53.087   9.9705   25.481   12.278   88.190   8.3429   59.478   15.182 28.71227 17.32345 
1 1 1    4    3   69 o  309.212   6.2227  658.312   24.764  669.046   30.709  638.349   41.878  313.287   7.2333  305.136   10.128 8.150818 12.44544 
1 1 1    4    3   70 o  176.959   4.7364  213.587   11.339  198.809   16.005  228.479   16.066  170.775   6.9158  183.143   6.4734 -12.36890 9.472814 
1 1 1    4    3   71 o  134.714   4.9572  123.859   9.0462  122.037   12.912  125.617   12.678  133.725   7.1252  135.703   6.8940 -1.978226 9.914424 
1 1 1    4    3   72 o  168.157   4.7105  192.877   10.731  195.341   15.405  190.555   14.956  169.189   6.7190  167.124   6.6038 2.065308 9.421024 
1 1 1    4    3   73 o  193.486   5.8376  259.727   14.278  248.147   24.907  265.395   17.426  189.802   9.6836  197.170   6.5219 -7.367340 11.67510 
1 1 1    4    3   74 o  160.693   5.8746  174.264   11.897  185.825   21.450  169.127   14.298  164.097   9.6460  157.289   6.7080 6.808075 11.74913 
1 1 1    4    3   75 o  159.178   5.7443  166.933   11.649  195.556   20.967  154.153   14.011  168.312   9.1927  150.044   6.8906 18.26796 11.48854 
1 1 1    4    3   76 o   44.774   8.2272   12.884   5.6621   25.259   8.6216   3.4988   7.5083   59.254   11.146   30.295   12.104 28.95918 16.45438 
1 1 1    4    3   77 o   65.118   7.3158   30.836   6.0927   22.719   8.8099   38.277   8.4351   55.802   12.006   74.434   8.3625 -18.63251 14.63163 
1 1 1    4    3   78 o   96.002   5.5126   63.455   7.1509   70.613   10.398   57.030   9.8502  101.173   7.5840   90.831   8.0025 10.34158 11.02528 
1 1 1    4    3   79 o   89.759   5.8695   55.740   7.1259   60.673   10.387   51.353   9.7942   93.526   8.1954   85.992   8.4048 7.534157 11.73905 
1 1 1    4    3   80 o   63.504   9.1544   28.748   7.2356   26.222   8.7849   34.077   12.759   59.887   11.238   67.121   14.454 -7.233063 18.30885 
1 1 1    4    3   81 o   88.438   5.8151   54.548   6.9662   55.279   10.021   53.864   9.6905   88.984   8.3105   87.892   8.1361 1.092209 11.63016 
1 1 1    4    3   82 o   48.388   9.7126   17.044   6.6057   13.406   8.4667   22.703   10.560   42.499   13.260   54.278   14.196 -11.77887 19.42516 
1 1 1    4    3   83 o   77.616   8.9457   45.148   9.0980   39.935   13.162   49.919   12.590   72.155   13.966   83.077   11.183 -10.92175 17.89141 
1 1 1    4    3   84 o  126.204   5.0182  111.135   8.5803  110.127   12.233  112.112   12.039  125.594   7.1873  126.814   7.0052 -1.220245 10.03649 
1 1 1    4    3   85 o   99.459   5.5003   69.546   7.4092   71.127   10.699   68.090   10.271  100.508   7.8550   98.411   7.7015 2.097031 11.00066 
1 1 1    4    3   86 o  140.662   5.0385  138.695   9.6022  137.608   13.686  139.749   13.476  140.063   7.2106  141.261   7.0395 -1.198105 10.07707 
1 1 1    4    3   87 o   93.175   7.3899   62.979   8.7114   64.711   15.347   62.156   10.581   92.888   12.192   93.461   8.3547 -0.5726776 14.77973 
1 1 1    4    3   88 o   98.772   7.4661   76.557   9.0781   55.855   14.949   88.651   11.426   85.547   12.895  111.996   7.5286 -26.44936 14.93210 
1 1 1    4    3   89 o   77.274   8.4731   47.591   7.9713   38.275   13.161   52.989   10.018   68.633   14.599   85.914   8.6046 -17.28166 16.94624 
1 1 1    4    3   90 o   62.609   9.2009   37.017   7.9150   12.172   13.270   50.735   9.8611   41.354   16.228   83.864   8.6769 -42.50986 18.40181 
1 1 1    4    3   91 o   85.346   9.4064   65.254   9.0234   37.545   15.272   80.114   11.184   64.899   17.119  105.792   7.8013 -40.89364 18.81272 
1 1 1    4    3   92 o   56.066   11.795   28.439   9.6242   28.890   13.700   28.000   13.523   56.477   16.720   55.655   16.642 0.8220253 23.59083 
1 1 1    4    3   93 o   62.508   11.730   35.763   10.108   34.448   14.300   37.076   14.289   61.107   16.764   63.909   16.413 -2.802010 23.46092 
1 1 1    4    3   94 o   46.662   16.867   20.602   13.690   20.602   13.690   0.0000   0.0000   46.662   16.867  ?   ?       ?      ? 
1 1 1    4    3   95 o   69.474   16.284   45.389   15.063   45.389   15.063   0.0000   0.0000   69.474   16.284  ?   ?       ?      ? 
1 1 1    4    3   96 o   32.593   14.430   4.4352   12.608   4.4352   12.608   0.0000   0.0000   32.593   14.430  ?   ?       ?      ? 
1 1 1    4    3   97 o   21.703   10.728 -18.0667   11.576 -18.0667   11.576   0.0000   0.0000   21.703   10.728  ?   ?       ?      ? 
1 1 1    4    4    0 o  431.575   5.6381  1262.59   32.974  1257.48   46.500  1267.75   46.765  430.697   7.9671  432.453   7.9799 -1.755707 11.27624 
1 1 1    4    4    1 o  945.521   10.701  6067.90  137.108  6082.66  194.145  6053.21  193.656  946.668   15.134  944.374   15.132 2.293701 21.40126 
1 1 1    4    4    2 o  1284.14   14.263 11201.05  248.116 10950.65  345.420 11467.96  356.626  1269.34   20.081  1298.94   20.260 -29.59998 28.52583 
1 1 1    4    4    3 o  944.534   10.689  6055.47  136.819  6017.40  192.652  6094.22  194.341  941.540   15.099  947.527   15.135 -5.986877 21.37895 
1 1 1    4    4    4 o  790.885   9.1146  4243.88   97.686  4245.03  138.112  4242.72  138.186  790.993   12.885  790.777   12.895 0.2158813 18.22913 
1 1 1    4    4    5 o  809.825   11.372  4384.32  116.311  4268.17  140.054  4642.46  208.795  793.112   13.031  826.539   18.641 -33.42688 22.74427 
1 1 1    4    4    6 o  603.308   8.3512  2467.73   68.276  2467.73   68.276   0.0000   0.0000  603.308   8.3512  ?   ?       ?      ? 
1 1 1    4    4    7 o  606.759   8.4092  2496.16   69.144  2496.16   69.144   0.0000   0.0000  606.759   8.4092  ?   ?       ?      ? 
1 1 1    4    4    8 o  190.398   4.4297  245.676   11.429  245.676   11.429   0.0000   0.0000  190.398   4.4297  ?   ?       ?      ? 
1 1 1    4    4    9 o  603.925   8.9299  2496.12   69.198  2541.24   85.532  2410.65  117.729  612.063   10.312  595.787   14.582 16.27625 17.85973 
1 1 1    4    4   10 o  467.763   7.3589  1494.34   44.163  1453.26   75.295  1515.88   54.528  462.731   12.008  472.795   8.5107 -10.06323 14.71778 
1 1 1    4    4   11 o  253.978   4.2455  437.244   14.611  435.471   20.559  439.054   20.769  253.458   5.9857  254.498   6.0222 -1.040054 8.490913 
1 1 1    4    4   12 o  530.682   6.5626  1909.97   47.190  1943.85   67.316  1877.24   66.170  535.308   9.2797  526.057   9.2822 9.251099 13.12523 
1 1 1    4    4   13 o  535.437   6.6084  1944.74   47.947  1926.32   67.337  1963.68   68.287  532.867   9.3250  538.007   9.3663 -5.139648 13.21683 
1 1 1    4    4   14 o  329.925   4.8056  737.581   21.478  717.001   29.942  759.395   30.827  325.187   6.7947  334.662   6.7975 -9.475403 9.611104 
1 1 1    4    4   15 o  129.407   3.7402  113.381   6.5543  107.793   9.1064  119.388   9.4409  126.102   5.3289  132.712   5.2495 -6.609879 7.480314 
1 1 1    4    4   16 f  420.193   5.5575  1197.50   31.645  1199.66   44.709  1195.34   44.797  420.572   7.8446  419.813   7.8743 0.7591553 11.11500 
1 1 1    4    4   17 o  263.615   5.3263  471.677   17.864  472.429   21.798  470.139   31.171  263.976   6.0936  263.254   8.7375 0.7217712 10.65255 
1 1 1    4    4   18 o  808.920   11.429  4421.55  117.419  4366.69  142.581  4537.17  206.983  801.726   13.124  816.114   18.715 -14.38837 22.85826 
1 1 1    4    4   19 o  662.362   7.8462  2977.26   70.417  2932.76   98.586  3023.61  100.614  657.313   11.068  667.411   11.125 -10.09717 15.69233 
1 1 1    4    4   20 o  284.779   4.4937  549.713   17.340  543.793   24.309  555.845   24.742  283.219   6.3338  286.339   6.3763 -3.120178 8.987453 
1 1 1    4    4   21 o  223.829   4.1255  339.245   12.507  326.922   17.365  352.528   18.029  219.610   5.8348  228.049   5.8339 -8.438477 8.251026 
1 1 1    4    4   22 o  651.726   7.7456  2881.91   68.408  2886.68   96.727  2877.12   96.759  652.267   10.943  651.184   10.965 1.082642 15.49128 
1 1 1    4    4   23 o  792.695   11.213  4255.00  113.386  4309.48  197.565  4228.23  138.459  796.121   18.313  789.268   12.945 6.853088 22.42613 
1 1 1    4    4   24 o  759.802   12.502  3917.44  128.723   0.0000   0.0000  3917.44  128.723  ?   ?   759.802   12.502      ?      ? 
1 1 1    4    4   25 o  1369.52   18.649 12775.36  325.940 12825.68  565.958 12750.39  398.697  1370.10   30.482  1368.94   21.492 1.166382 37.29715 
1 1 1    4    4   26 o  352.742   5.0492  842.919   24.128  820.979   33.620  866.220   34.647  348.012   7.1289  357.471   7.1523 -9.459656 10.09836 
1 1 1    4    4   27 o  514.463   6.4544  1794.34   44.994  1773.81   63.149  1815.52   64.126  511.474   9.1108  517.452   9.1449 -5.977905 12.90878 
1 1 1    4    4   28 o  359.642   5.1063  876.496   24.882  861.235   34.815  892.430   35.574  356.443   7.2077  362.840   7.2350 -6.397369 10.21260 
1 1 1    4    4   29 o  363.091   5.1444  893.422   25.308  917.506   36.099  870.145   35.490  367.902   7.2407  358.280   7.3097 9.622772 10.28878 
1 1 1    4    4   30 o  481.335   7.5638  1577.39   46.549  1589.77   57.169  1553.02   80.181  484.229   8.7122  478.442   12.367 5.786957 15.12757 
1 1 1    4    4   31 o  415.983   6.8229  1148.58   35.816  1107.71   43.009  1241.08   64.693  404.221   7.8515  427.745   11.161 -23.52460 13.64579 
1 1 1    4    4   32 o  491.661   6.2660  1639.07   41.748  1638.72   58.852  1639.42   59.230  491.610   8.8341  491.713   8.8888 -0.1030273 12.53204 
1 1 1    4    4   33 o  483.991   6.1946  1588.08   40.624  1569.53   56.935  1607.33   57.983  481.113   8.7327  486.870   8.7883 -5.757538 12.38922 
1 1 1    4    4   34 o  560.401   6.9101  2129.95   52.475  2123.12   73.860  2136.91   74.565  559.496   9.7416  561.306   9.8029 -1.809875 13.82014 
1 1 1    4    4   35 o  257.872   4.4676  450.764   15.611  450.381   21.919  451.159   22.238  257.762   6.2751  257.983   6.3609 -0.2210388 8.935169 
1 1 1    4    4   36 o  542.196   8.2923  2020.62   57.856  2080.01   71.958  1912.03   97.302  553.756   9.5891  530.636   13.531 23.11938 16.58462 
1 1 1    4    4   37 o  264.230   5.5088  470.599   18.579  465.114   22.670  481.821   32.425  261.932   6.3866  266.527   8.9776 -4.594330 11.01758 
1 1 1    4    4   38 o  296.415   4.7434  594.877   19.040  568.733   26.387  623.276   27.501  289.630   6.7230  303.201   6.6933 -13.57092 9.486790 
1 1 1    4    4   39 o  398.964   5.5065  1079.44   29.771  1079.59   42.072  1079.30   42.133  398.991   7.7812  398.938   7.7936 0.5288696E-01 11.01301 
1 1 1    4    4   40 o  248.841   4.4765  419.844   15.095  422.575   21.297  417.086   21.398  249.655   6.2949  248.027   6.3664 1.628555 8.953085 
1 1 1    4    4   41 o  653.117   7.8258  2896.24   69.262  2882.50   97.564  2910.20   98.343  651.558   11.050  654.677   11.085 -3.118408 15.65169 
1 1 1    4    4   42 o  252.323   6.4038  431.721   21.896   0.0000   0.0000  431.721   21.896  ?   ?   252.323   6.4038      ?      ? 
1 1 1    4    4   43 o  377.151   6.5796  945.449   31.343  1020.57   56.500  912.054   37.670  387.634   10.756  366.668   7.5813 20.96524 13.15926 
1 1 1    4    4   44 o  305.088   4.8535  630.947   20.058  656.354   28.748  606.847   27.999  311.071   6.8197  299.105   6.9077 11.96573 9.706918 
1 1 1    4    4   45 o  256.991   5.5068  440.535   18.143  471.541   31.703  425.434   22.125  263.541   8.8771  250.441   6.5191 13.10046 11.01369 
1 1 1    4    4   46 o  453.668   8.5083  1399.29   52.287  1368.96   72.722  1431.76   75.233  448.592   11.963  458.745   12.102 -10.15332 17.01656 
1 1 1    4    4   47 o  306.496   6.0437  646.210   23.676  663.856   29.223  612.503   40.390  312.784   6.8945  300.208   9.9282 12.57556 12.08734 
1 1 1    4    4   48 o  205.220   5.4212  287.116   14.158  289.447   17.311  282.408   24.606  206.553   6.1844  203.887   8.9056 2.666306 10.84235 
1 1 1    4    4   49 o  676.232   11.434  3113.10  104.781  3113.10  104.781   0.0000   0.0000  676.232   11.434  ?   ?       ?      ? 
1 1 1    4    4   50 o  243.731   4.5327  402.979   14.965  419.366   21.385  387.256   20.949  248.588   6.3482  238.874   6.4715 9.713776 9.065355 
1 1 1    4    4   51 o  224.289   4.4551  341.422   13.540  345.407   19.166  337.451   19.133  225.597   6.2691  222.980   6.3317 2.616959 8.910255 
1 1 1    4    4   52 o  382.599   7.6668  994.439   39.750  994.439   39.750   0.0000   0.0000  382.599   7.6668  ?   ?       ?      ? 
1 1 1    4    4   53 o   94.951   6.0748   63.201   7.3985   67.985   9.3006   54.956   12.209  100.056   6.8593   89.845   10.028 10.21109 12.14959 
1 1 1    4    4   54 o  251.203   5.5936  430.767   18.055  434.815   22.301  423.066   30.759  253.053   6.5033  249.354   9.1028 3.698288 11.18720 
1 1 1    4    4   55 o  273.461   4.7291  507.721   17.521  523.594   25.033  492.477   24.531  277.653   6.6531  269.270   6.7228 8.383392 9.458282 
1 1 1    4    4   56 o  219.222   6.3551  326.380   18.879  326.380   18.879   0.0000   0.0000  219.222   6.3551  ?   ?       ?      ? 
1 1 1    4    4   57 o   71.684   5.9828   34.953   5.8058   35.304   8.4215   34.636   8.0149   72.021   8.6288   71.348   8.2896 0.6726074 11.96551 
1 1 1    4    4   58 o  261.916   5.7319  463.724   19.152  475.785   33.467  457.851   23.353  264.251   9.3457  259.581   6.6389 4.669983 11.46372 
1 1 1    4    4   59 o  347.631   7.4100  821.864   34.908   0.0000   0.0000  821.864   34.908  ?   ?   347.631   7.4100      ?      ? 
1 1 1    4    4   60 o   78.380   5.9500   41.387   6.2728   49.234   9.3798   35.038   8.4372   85.042   8.1391   71.718   8.6813 13.32353 11.90000 
1 1 1    4    4   61 o  170.785   4.5718  198.169   10.579  203.172   15.129  193.382   14.797  172.894   6.4574  168.676   6.4736 4.218018 9.143585 
1 1 1    4    4   62 o  286.689   4.9002  558.312   19.025  585.787   27.425  532.825   26.414  293.484   6.8957  279.893   6.9640 13.59180 9.800475 
1 1 1    4    4   63 f  262.120   4.8095  467.233   17.082  474.131   24.334  460.531   23.986  264.028   6.8012  260.213   6.8021 3.814514 9.619016 
1 1 1    4    4   64 o  307.520   6.2585  648.938   24.556  656.776   30.139  633.459   42.352  310.654   7.1592  304.385   10.268 6.269440 12.51710 
1 1 1    4    4   65 o  181.001   4.6501  222.760   11.403  227.541   16.329  218.208   15.933  182.895   6.5882  179.107   6.5643 3.787796 9.300271 
1 1 1    4    4   66 o  343.790   5.2951  805.091   24.668  813.786   35.074  796.580   34.700  345.626   7.4885  341.953   7.4883 3.673096 10.59021 
1 1 1    4    4   67 o  218.826   4.6977  325.573   13.921  342.004   20.044  310.258   19.350  224.161   6.5983  213.491   6.6885 10.67023 9.395390 
1 1 1    4    4   68 o  157.644   4.7925  169.219   10.236  171.001   14.667  167.526   14.291  158.447   6.8309  156.842   6.7238 1.605133 9.584920 
1 1 1    4    4   69 o  106.943   6.4245   79.571   8.9151   83.139   11.253   73.557   14.610  110.385   7.5226  103.500   10.417 6.885422 12.84910 
1 1 1    4    4   70 o  156.361   4.8256  166.669   10.220  159.601   14.332  173.983   14.578  152.976   6.9134  159.746   6.7344 -6.770432 9.651261 
1 1 1    4    4   71 o  303.710   5.0953  629.899   20.969  618.341   29.520  641.669   29.790  300.887   7.2400  306.533   7.1714 -5.646118 10.19052 
1 1 1    4    4   72 o  129.825   4.9959  115.032   8.7835  119.331   12.702  111.092   12.159  132.142   7.0934  127.507   7.0369 4.634918 9.991753 
1 1 1    4    4   73 o  300.500   6.2269  615.542   23.771  636.444   41.910  605.629   28.863  303.485   10.191  297.516   7.1588 5.968384 12.45376 
1 1 1    4    4   75 o  201.842   4.7542  279.109   13.000  275.279   18.525  282.826   18.248  200.446   6.8199  203.239   6.6255 -2.792374 9.508316 
1 1 1    4    4   76 o  194.585   4.7210  259.068   12.431  278.901   18.016  241.041   17.175  201.708   6.5909  187.461   6.7610 14.24661 9.441977 
1 1 1    4    4   77 o  153.664   4.8663  162.435   10.077  140.996   14.067  185.027   14.441  143.120   7.2532  164.208   6.4895 -21.08739 9.732543 
1 1 1    4    4   78 o   63.431   10.568   28.293   9.0837   28.293   9.0837   0.0000   0.0000   63.431   10.568  ?   ?       ?      ? 
1 1 1    4    4   79 o   36.223   9.8134   6.5083   6.2856   10.094   11.479   4.9730   7.5118   40.826   15.323   31.621   12.264 9.205093 19.62679 
1 1 1    4    4   80 o   66.462   7.4735   32.461   6.3541   23.491   9.0571   41.154   8.9166   56.170   12.244   76.754   8.5726 -20.58389 14.94699 
1 1 1    4    4   81 o   74.228   6.7332   39.718   6.5800   29.876   9.4388   49.024   9.1778   64.668   10.771   83.787   8.0831 -19.11929 13.46649 
1 1 1    4    4   82 o  130.898   4.9991  119.216   8.8382  107.398   12.406  131.397   12.595  124.159   7.3734  137.637   6.7525 -13.47849 9.998164 
1 1 1    4    4   83 o  114.438   6.2793   91.173   9.2730   87.753   11.401   97.857   15.939  112.020   7.5105  116.856   10.065 -4.835564 12.55864 
1 1 1    4    4   84 o   64.797   7.1639   30.219   6.2874   29.318   8.7251   31.193   9.0681   63.808   10.090   65.786   10.172 -1.977493 14.32777 
1 1 1    4    4   85 o   50.704   8.2223   19.645   6.0037   9.2992   8.4696   30.094   8.5115   36.748   13.269   64.661   9.7136 -27.91287 16.44469 
1 1 1    4    4   86 o   61.082   9.2602   26.676   7.0882   37.988   12.639   21.487   8.5610   69.449   13.915   52.716   12.222 16.73308 18.52042 
1 1 1    4    4   87 o   73.451   9.4971   39.002   9.4530   0.0000   0.0000   39.002   9.4530  ?   ?    73.451   9.4971      ?      ? 
1 1 1    4    4   88 o   71.576   9.7324   37.291   9.4400   0.0000   0.0000   37.291   9.4400  ?   ?    71.576   9.7324      ?      ? 
1 1 1    4    4   89 o   99.125   7.4296   75.486   9.2251   63.399   15.515   82.097   11.474   90.918   12.592  107.331   7.8886 -16.41248 14.85925 
1 1 1    4    4   90 o   74.686   10.517   45.800   10.414   34.026   14.348   58.909   15.140   62.325   16.665   87.046   12.835 -24.72051 21.03497 
1 1 1    4    4   91 o   32.280   9.7738  -1.3266   8.5136   11.848   12.043 -14.4864   12.037   39.988   15.524   24.573   11.880 15.41531 19.54760 
1 1 1    4    4   92 o   36.380   10.796   7.1230   9.0270   4.2534   12.464   10.289   13.091   34.022   14.718   38.738   15.799 -4.715946 21.59258 
1 1 1    4    4   93 o   51.456   11.888   24.955   9.5949   21.727   13.392   28.361   13.754   48.187   16.751   54.725   16.872 -6.537605 23.77521 
1 1 1    4    4   94 o   46.272   11.588   20.180   9.3747   14.261   13.352   25.935   13.166   40.778   16.189   51.766   16.584 -10.98782 23.17579 
1 1 1    4    4   95 o   33.351   14.475   5.6914   12.134   5.6914   12.134   0.0000   0.0000   33.351   14.475  ?   ?       ?      ? 
1 1 1    4    4   96 o   30.727   13.860   2.2018   12.221   2.2018   12.221   0.0000   0.0000   30.727   13.860  ?   ?       ?      ? 
1 1 1    4    5    0 o  315.716   4.7042  675.705   20.126  674.243   28.370  677.185   28.556  315.373   6.6382  316.059   6.6672 -0.6866760 9.408334 
1 1 1    4    5    1 o  895.595   10.204  5447.09  123.827  5393.34  173.914  5502.36  176.349  891.118   14.402  900.071   14.458 -8.953003 20.40708 
1 1 1    4    5    2 o  404.258   5.4338  1108.01   29.767  1098.46   41.886  1117.75   42.310  402.500   7.6794  406.017   7.6898 -3.516693 10.86763 
1 1 1    4    5    3 o  493.026   6.2215  1648.51   41.567  1658.26   58.918  1638.85   58.651  494.477   8.7927  491.575   8.8044 2.901764 12.44305 
1 1 1    4    5    4 o  701.185   10.116  3352.21   90.740  3377.89  111.507  3301.86  156.126  705.473   11.664  696.898   16.532 8.575928 20.23229 
1 1 1    4    5    5 o  360.109   7.2172  878.594   35.195  842.909   48.713  917.565   50.906  352.471   10.199  367.748   10.215 -15.27719 14.43449 
1 1 1    4    5    6 o  438.490   5.7427  1302.52   34.105  1355.02   49.167  1253.83   47.349  446.997   8.1169  429.983   8.1259 17.01370 11.48540 
1 1 1    4    5    7 o  473.270   7.4643  1535.82   45.293  1570.48   56.007  1470.30   77.000  481.192   8.5890  465.349   12.210 15.84317 14.92858 
1 1 1    4    5    8 o  699.315   9.4982  3293.97   77.319  3267.42   88.763  3377.50  157.420  693.981   9.4385  704.650   16.486 -10.66901 18.99631 
1 1 1    4    5    9 o  496.553   7.2229  1649.24   41.589  1627.40   47.596  1719.76   85.520  489.896   7.1695  503.210   12.541 -13.31360 14.44579 
1 1 1    4    5   10 o  492.290   7.2193  1647.22   41.599  1649.70   47.995  1639.73   83.406  493.235   7.1806  491.345   12.526 1.890564 14.43861 
1 1 1    4    5   11 o  658.138   7.8064  2938.62   69.600  3018.65   99.965  2863.32   96.963  666.827   11.062  649.449   11.017 17.37805 15.61278 
1 1 1    4    5   12 o  306.346   4.6499  636.323   19.303  639.606   27.295  633.037   27.303  307.137   6.5578  305.555   6.5939 1.582397 9.299728 
1 1 1    4    5   13 o  225.904   4.1254  345.983   12.629  349.584   17.846  342.371   17.873  227.083   5.7992  224.726   5.8691 2.356140 8.250888 
1 1 1    4    5   14 o  701.739   8.2446  3343.29   78.398  3381.02  111.544  3306.46  110.211  705.651   11.665  697.827   11.655 7.823486 16.48921 
1 1 1    4    5   15 o  426.128   6.9402  1240.24   37.811  1257.04   46.506  1207.49   64.943  430.517   7.9714  421.739   11.363 8.778412 13.88049 
1 1 1    4    5   16 o  565.989   8.4667  2139.12   60.488  2079.18   72.774  2273.07  108.787  553.575   9.7010  578.403   13.879 -24.82782 16.93346 
1 1 1    4    5   17 o  275.507   4.4617  514.302   16.653  502.108   23.228  527.199   23.888  272.149   6.2982  278.865   6.3213 -6.716461 8.923370 
1 1 1    4    5   18 o  604.700   7.3076  2479.36   59.863  2418.35   83.372  2544.30   86.006  597.028   10.305  612.373   10.364 -15.34473 14.61526 
1 1 1    4    5   19 o  696.803   10.036  3291.71   89.304  3314.80  155.041  3280.25  109.248  698.360   16.383  695.247   11.596 3.112366 20.07111 
1 1 1    4    5   20 o  727.128   10.404  3572.70   96.370  3643.21  168.667  3538.53  117.424  732.148   17.000  722.109   12.000 10.03961 20.80847 
1 1 1    4    5   21 o  952.916   10.815  6165.80  139.643  6095.03  195.819  6239.03  199.192  947.359   15.253  958.473   15.336 -11.11377 21.62980 
1 1 1    4    5   22 o  1039.94   11.715  7346.14  165.093  7348.84  233.413  7343.44  233.540  1040.13   16.560  1039.74   16.575 0.3848877 23.42985 
1 1 1    4    5   23 o  712.130   8.3684  3439.68   80.748  3394.93  113.117  3486.16  115.303  707.411   11.800  716.848   11.870 -9.436646 16.73679 
1 1 1    4    5   24 o  851.664   11.958  4893.32  129.489  5022.74  227.833  4831.56  157.378  859.575   19.559  843.753   13.764 15.82159 23.91671 
1 1 1    4    5   25 o  1107.67   15.243  8376.21  216.385  8251.86  370.890  8440.38  266.428  1100.70   24.865  1114.64   17.639 -13.94202 30.48606 
1 1 1    4    5   26 o  402.472   5.4781  1097.94   29.875  1087.11   41.893  1109.14   42.615  400.454   7.7198  404.489   7.7745 -4.035553 10.95616 
1 1 1    4    5   27 o  1534.90   20.842 16128.19  409.539 16229.92  503.619 15929.57  703.681  1543.92   24.071  1525.88   34.031 18.04602 41.68355 
1 1 1    4    5   28 o  516.153   13.003  1807.74   90.950   0.0000   0.0000  1807.74   90.950  ?   ?   516.153   13.003      ?      ? 
1 1 1    4    5   29 o  632.817   7.5860  2716.12   65.053  2717.04   91.869  2715.20   92.130  632.925   10.711  632.709   10.745 0.2160645 15.17197 
1 1 1    4    5   30 o  273.042   4.5423  505.437   16.803  515.010   23.687  495.740   23.840  275.646   6.3413  270.437   6.5051 5.208679 9.084530 
1 1 1    4    5   31 o  199.711   4.2068  270.312   11.380  269.557   15.843  271.118   16.356  199.424   5.8625  199.998   6.0350 -0.5747223 8.413658 
1 1 1    4    5   33 o  566.589   6.9723  2177.00   53.527  2149.04   74.954  2206.10   76.465  562.880   9.8265  570.299   9.8941 -7.419312 13.94465 
1 1 1    4    5   34 o  445.733   8.3605  1347.28   50.500   0.0000   0.0000  1347.28   50.500  ?   ?   445.733   8.3605      ?      ? 
1 1 1    4    5   35 o  283.577   4.6653  545.250   17.925  556.474   25.328  533.986   25.372  286.503   6.5236  280.651   6.6711 5.852234 9.330606 
1 1 1    4    5   36 o  507.178   7.8640  1724.35   50.533  1686.72   61.084  1805.95   89.947  498.662   9.0393  515.693   12.871 -17.03171 15.72801 
1 1 1    4    5   37 o  789.750   11.227  4186.56  112.141  4092.68  135.334  4392.25  200.319  776.284   12.865  803.215   18.404 -26.93085 22.45449 
1 1 1    4    5   38 o  235.324   4.4154  375.414   14.079  373.637   19.746  377.251   20.080  234.759   6.2068  235.889   6.2815 -1.130798 8.830778 
1 1 1    4    5   39 o  396.430   10.940  1066.95   58.770  1066.95   58.770   0.0000   0.0000  396.430   10.940  ?   ?       ?      ? 
1 1 1    4    5   40 o  366.392   6.4267  907.955   30.155  920.080   52.145  901.863   36.963  368.135   10.453  364.648   7.4801 3.487061 12.85333 
1 1 1    4    5   41 o  601.933   7.3435  2456.89   59.858  2370.65   82.761  2551.49   86.678  590.877   10.336  612.988   10.435 -22.11090 14.68709 
1 1 1    4    5   42 o  401.875   5.5646  1093.83   30.277  1045.44   41.789  1147.31   43.928  392.536   7.8560  411.215   7.8830 -18.67917 11.12914 
1 1 1    4    5   43 o  470.291   7.5604  1516.94   45.691  1457.12   77.373  1548.97   56.616  462.891   12.335  477.690   8.7461 -14.79938 15.12082 
1 1 1    4    5   44 f  254.477   6.4306  439.263   22.176  439.263   22.176   0.0000   0.0000  254.477   6.4306  ?   ?       ?      ? 
1 1 1    4    5   45 o  465.335   6.1267  1469.08   38.615  1429.60   53.593  1511.71   55.688  458.844   8.6191  471.826   8.7095 -12.98196 12.25335 
1 1 1    4    5   46 o  527.006   8.1902  1872.03   54.680  1840.54   66.176  1939.80   97.080  520.468   9.3826  533.544   13.427 -13.07562 16.38039 
1 1 1    4    5   47 o  295.533   4.8134  592.708   19.276  602.212   27.340  583.315   27.181  297.891   6.7725  293.175   6.8417 4.715759 9.626812 
1 1 1    4    5   48 o  410.535   8.0050  1144.67   44.534  1144.67   44.534   0.0000   0.0000  410.535   8.0050  ?   ?       ?      ? 
1 1 1    4    5   49 o  358.127   7.4744  870.938   36.274   0.0000   0.0000  870.938   36.274  ?   ?   358.127   7.4744      ?      ? 
1 1 1    4    5   50 o  385.728   6.7056  1008.41   33.212  1023.11   57.127  1000.90   40.819  387.614   10.876  383.842   7.8475 3.772186 13.41129 
1 1 1    4    5   51 o  395.544   6.8835  1066.43   34.678  1069.92   42.387  1059.35   60.306  396.816   7.8824  394.272   11.287 2.544189 13.76706 
1 1 1    4    5   52 f  386.406   5.5067  1014.64   28.834  1023.09   40.798  1006.21   40.757  388.017   7.7590  384.795   7.8162 3.221405 11.01339 
1 1 1    4    5   53 o  460.334   6.1095  1441.00   38.107  1469.73   54.332  1413.18   53.463  464.852   8.6249  455.815   8.6553 9.036743 12.21895 
1 1 1    4    5   54 o  154.550   5.3597  162.024   10.665  161.311   13.155  163.390   18.215  154.130   6.2984  154.970   8.6738 -0.8399658 10.71932 
1 1 1    4    5   55 o  251.013   4.6513  427.973   15.820  437.417   22.447  418.653   22.299  253.769   6.5273  248.257   6.6283 5.512115 9.302691 
1 1 1    4    5   56 o   53.268   8.8434   19.629   6.0243   21.961   10.362   18.438   7.4042   55.529   13.824   51.007   11.033 4.521698 17.68673 
1 1 1    4    5   57 o  315.872   6.1649  680.406   24.950  676.107   42.878  682.607   30.678  314.864   10.049  316.881   7.1442 -2.016907 12.32980 
1 1 1    4    5   58 o  428.118   5.8855  1247.64   34.144  1261.29   48.502  1234.23   48.074  430.441   8.3150  425.795   8.3316 4.646667 11.77096 
1 1 1    4    5   59 f  161.070   5.6052  170.381   11.457  194.112   20.691  159.887   13.759  168.766   9.0470  153.374   6.6200 15.39182 11.21037 
1 1 1    4    5   60 o  297.202   9.9469  602.926   40.061  602.926   40.061   0.0000   0.0000  297.202   9.9469  ?   ?       ?      ? 
1 1 1    4    5   61 o  231.696   4.6606  364.444   14.619  342.943   20.281  387.699   21.092  224.584   6.6638  238.807   6.5174 -14.22369 9.321147 
1 1 1    4    5   62 o  190.861   5.7897  250.633   14.045  255.456   17.206  241.003   24.312  193.828   6.5506  187.894   9.5484 5.933868 11.57939 
1 1 1    4    5   63 o  296.558   4.9863  598.256   20.035  585.233   28.057  611.808   28.621  293.264   7.0598  299.852   7.0435 -6.587463 9.972532 
1 1 1    4    5   64 o  171.525   4.6733  200.130   10.862  197.351   15.323  202.938   15.400  170.325   6.6388  172.725   6.5793 -2.400604 9.346673 
1 1 1    4    5   65 o  190.905   4.6742  247.985   12.091  243.525   17.077  252.469   17.121  189.177   6.6614  192.633   6.5588 -3.455078 9.348434 
1 1 1    4    5   66 o  281.123   4.9388  538.032   18.812  549.977   26.854  526.521   26.362  284.189   6.9730  278.058   6.9962 6.130920 9.877685 
1 1 1    4    5   67 o  130.435   5.0019  116.094   8.8279  111.087   12.641  120.860   12.334  127.661   7.3068  133.208   6.8327 -5.546875 10.00371 
1 1 1    4    5   68 o  182.996   4.7395  228.267   11.738  213.659   16.531  243.118   16.668  177.061   6.8897  188.932   6.5104 -11.87083 9.479092 
1 1 1    4    5   69 f  196.044   4.7431  261.945   12.598  269.247   17.953  254.860   17.684  198.743   6.6658  193.345   6.7494 5.397552 9.486224 
1 1 1    4    5   70 o  199.935   5.8399  282.746   15.002  307.222   18.971  241.898   24.508  212.239   6.5962  187.632   9.6388 24.60660 11.67974 
1 1 1    4    5   71 o  166.256   5.8041  184.447   12.310  204.109   21.862  175.320   14.896  172.291   9.3638  160.221   6.8606 12.07011 11.60813 
1 1 1    4    5   72 f  282.617   6.1361  547.391   22.145  553.311   38.439  544.450   27.092  283.099   10.020  282.135   7.0861 0.9634705 12.27216 
1 1 1    4    5   73 o   97.202   5.7888   65.208   7.5788   57.329   10.758   72.972   10.679   91.259   8.6988  103.145   7.6401 -11.88598 11.57760 
1 1 1    4    5   74 o  126.282   6.3380  112.515   10.140  102.922   17.382  117.463   12.484  121.661   10.543  130.903   7.0376 -9.241791 12.67598 
1 1 1    4    5   75 o  159.675   6.6740  176.943   14.431  171.926   20.588  181.788   20.234  157.364   9.6544  161.987   9.2176 -4.623123 13.34808 
1 1 1    4    5   76 o  112.846   7.5183   89.326   11.474   94.390   16.099   84.097   16.359  116.242   10.220  109.451   11.030 6.791153 15.03659 
1 1 1    4    5   77 o   96.093   7.0199   63.155   8.5923   60.458   10.405   68.939   15.235   93.419   8.2191   98.767   11.383 -5.348160 14.03990 
1 1 1    4    5   78 o  160.806   4.8029  178.202   10.458  169.161   14.696  187.478   14.886  156.621   6.9243  164.991   6.6578 -8.370026 9.605858 
1 1 1    4    5   79 o   88.426   5.8563   54.647   6.9847   48.860   9.8988   60.386   9.8572   83.611   8.7365   93.241   7.8012 -9.629463 11.71261 
1 1 1    4    5   80 f  144.080   4.9248  143.728   9.5951  131.531   13.399  156.567   13.747  137.709   7.1800  150.450   6.7426 -12.74081 9.849630 
1 1 1    4    5   81 o  128.153   5.0984  114.412   8.8069  100.202   12.353  129.102   12.560  119.860   7.6050  136.446   6.7926 -16.58566 10.19684 
1 1 1    4    5   82 o   97.609   5.5866   66.923   7.3611   73.796   10.443   60.137   10.377  102.761   7.4995   92.457   8.2823 10.30453 11.17314 
1 1 1    4    5   83 o   49.036   8.7476   18.338   5.8659   14.744   8.1074   22.285   8.4976   43.892   12.825   54.180   11.899 -10.28765 17.49513 
1 1 1    4    5   84 o   96.473   7.9079   68.169   10.336   68.817   14.798   67.551   14.444   96.863   11.273   96.083   11.093 0.7790985 15.81585 
1 1 1    4    5   85 o   83.302   7.6513   50.666   8.1555   51.233   14.004   50.375   10.033   82.605   12.510   84.000   8.8135 -1.394768 15.30269 
1 1 1    4    5   86 o   35.478   9.6854   7.8585   6.5044   5.2856   11.149   9.1861   8.0086   34.839   14.433   36.117   12.919 -1.278198 19.37074 
1 1 1    4    5   87 o   66.520   9.2448   39.953   7.8555   17.880   12.880   53.025   9.9125   46.943   16.422   86.097   8.4960 -39.15363 18.48958 
1 1 1    4    5   88 o   97.317   12.660   72.577   16.696   0.0000   0.0000   72.577   16.696  ?   ?    97.317   12.660      ?      ? 
1 1 1    4    5   89 o  100.836   10.036   80.007   12.315   45.507   16.394  124.697   18.658   72.274   17.020  129.398   10.641 -57.12408 20.07212 
1 1 1    4    5   90 o   45.918   11.364   17.758   8.9935   22.677   12.368   12.239   13.101   50.964   16.047   40.872   16.096 10.09241 22.72861 
1 1 1    4    5   91 o   64.402   11.690   37.162   10.244   36.652   14.110   37.730   14.898   64.254   16.207   64.550   16.851 -0.2963638 23.37951 
1 1 1    4    5   92 o   78.934   10.502   52.967   10.887   40.518   14.939   67.069   15.900   66.548   16.616   91.319   12.849 -24.77071 21.00428 
1 1 1    4    5   93 o   58.387   11.785   32.589   9.9721   26.275   14.043   39.011   14.163   51.778   17.165   64.996   16.151 -13.21865 23.56908 
1 1 1    4    5   94 o   29.293   9.4873  -1.6845   8.5464  -5.1749   11.989   1.9220   12.187   27.369   12.830   31.217   13.980 -3.847965 18.97458 
1 1 1    4    5   95 o   57.828   9.9128   29.874   10.148   3.7090   14.022   58.650   14.705   32.970   14.861   82.686   13.123 -49.71645 19.82570 
1 1 1    4    6    0 o  513.101   9.1568  1788.54   63.669  1793.94   90.038  1783.13   90.044  513.878   12.930  512.325   12.970 1.553528 18.31353 
1 1 1    4    6    1 o  231.362   5.1854  361.831   15.268  366.390   26.730  359.623   18.601  232.408   8.4873  230.317   5.9597 2.090515 10.37077 
1 1 1    4    6    2 o  149.286   3.8725  151.064   7.8333  150.255   10.983  151.902   11.176  148.880   5.4436  149.693   5.5093 -0.8130646 7.745010 
1 1 1    4    6    3 o  157.522   3.9028  168.241   8.3279  173.877   11.792  162.632   11.763  160.156   5.4333  154.889   5.6042 5.267471 7.805596 
1 1 1    4    6    4 o  291.874   5.6129  570.292   20.817  599.242   36.876  556.750   25.221  297.192   9.1563  286.555   6.4948 10.63644 11.22590 
1 1 1    4    6    5 o  371.822   6.3917  942.281   30.402  924.780   52.269  951.229   37.374  369.120   10.449  374.524   7.3639 -5.404053 12.78348 
1 1 1    4    6    6 f  438.328   7.0758  1300.88   39.573  1312.80   68.869  1295.00   48.353  439.708   11.558  436.948   8.1660 2.760376 14.15159 
1 1 1    4    6    7 o  264.451   5.4019  472.566   18.229  479.382   31.761  469.218   22.260  265.828   8.8167  263.074   6.2441 2.753143 10.80383 
1 1 1    4    6    8 o  262.933   5.4118  465.642   18.046  459.868   21.880  477.925   31.913  260.442   6.1993  265.423   8.8724 -4.981110 10.82363 
1 1 1    4    6    9 o  368.622   6.3216  894.962   29.280  853.291   34.953  993.008   53.614  354.730   7.2711  382.515   10.343 -27.78445 12.64311 
1 1 1    4    6   10 o  125.299   4.8621  106.900   7.6681  107.675   9.2806  105.235   13.613  126.033   5.4338  124.564   8.0642 1.468987 9.724101 
1 1 1    4    6   11 f  164.716   4.9330  187.155   10.258  193.132   12.531  175.010   17.862  168.794   5.4783  160.638   8.2054 8.156723 9.866073 
1 1 1    4    6   12 o  340.418   6.0568  773.141   26.082  751.246   31.436  821.502   46.721  332.868   6.9691  347.968   9.9080 -15.10016 12.11353 
1 1 1    4    6   13 o  470.314   7.4112  1485.57   44.187  1458.41   53.483  1543.97   78.427  463.724   8.5109  476.905   12.135 -13.18036 14.82239 
1 1 1    4    6   14 o  707.525   10.205  3416.17   92.655  3351.10  158.222  3450.13  114.304  702.080   16.630  712.970   11.831 -10.89020 20.40900 
1 1 1    4    6   15 o  143.615   4.7426  138.159   8.7966  145.252   15.076  134.497   10.832  146.367   7.6007  140.864   5.6743 5.502533 9.485130 
1 1 1    4    6   16 o  438.979   5.7787  1306.43   34.373  1327.06   48.943  1286.34   48.287  442.400   8.1637  435.559   8.1808 6.840881 11.55735 
1 1 1    4    6   17 o  530.850   6.6137  1910.86   47.574  1892.90   66.816  1929.32   67.753  528.321   9.3325  533.378   9.3737 -5.057190 13.22734 
1 1 1    4    6   18 f  393.963   5.4022  1052.07   28.838  1070.92   41.025  1033.66   40.547  397.452   7.6170  390.475   7.6626 6.976990 10.80434 
1 1 1    4    6   19 o  306.133   4.7259  634.510   19.594  610.308   27.179  660.701   28.274  300.062   6.6840  312.204   6.6828 -12.14224 9.451746 
1 1 1    4    6   20 o  315.430   4.7950  674.301   20.494  666.721   28.715  682.170   29.258  313.624   6.7565  317.236   6.8058 -3.612061 9.590062 
1 1 1    4    6   21 o  916.591   10.445  5703.10  129.743  5699.55  183.309  5706.67  183.661  916.306   14.762  916.877   14.782 -0.5705566 20.89090 
1 1 1    4    6   22 o  838.338   11.785  4673.65  124.304  5039.60  225.650  4514.21  148.940  861.067   19.338  815.609   13.476 45.45837 23.57025 
1 1 1    4    6   23 o  344.892   7.0916  806.570   33.141  822.179   47.100  791.265   46.641  348.197   9.9819  341.586   10.076 6.611450 14.18313 
1 1 1    4    6   24 o  689.177   9.9821  3234.61   88.063  3257.50  108.269  3189.87  151.378  692.984   11.529  685.371   16.299 7.612671 19.96424 
1 1 1    4    6   25 o  750.071   8.7610  3817.01   89.051  3832.03  126.082  3802.06  125.791  751.544   12.380  748.598   12.400 2.945862 17.52197 
1 1 1    4    6   26 o  760.754   8.8604  3926.65   91.342  3908.68  128.646  3944.91  129.715  759.002   12.507  762.507   12.554 -3.505188 17.72083 
1 1 1    4    6   27 o  784.407   9.1011  4175.23   96.741  4168.10  136.493  4182.44  137.135  783.735   12.852  785.078   12.890 -1.343567 18.20212 
1 1 1    4    6   28 o  650.096   11.014  2866.85   97.032   0.0000   0.0000  2866.85   97.032  ?   ?   650.096   11.014      ?      ? 
1 1 1    4    6   29 o  295.062   4.7080  589.868   18.819  578.171   26.231  602.275   27.016  292.050   6.6278  298.074   6.6883 -6.024414 9.415993 
1 1 1    4    6   30 o  794.904   9.2233  4289.00   99.353  4309.75  140.792  4268.43  140.224  796.819   13.039  792.989   13.049 3.830078 18.44668 
1 1 1    4    6   31 o  1103.55   12.405  8278.29  185.484  8167.76  259.781  8393.25  264.922  1096.05   17.490  1111.05   17.595 -15.00342 24.80938 
1 1 1    4    6   32 o  348.626   5.1076  823.208   24.118  797.889   33.458  850.591   34.796  343.052   7.1972  354.199   7.2492 -11.14682 10.21524 
1 1 1    4    6   33 o  374.598   7.5711  951.487   38.433   0.0000   0.0000  951.487   38.433  ?   ?   374.598   7.5711      ?      ? 
1 1 1    4    6   34 o  811.445   9.4026  4470.56  103.374  4561.73  147.861  4383.38  144.580  819.533   13.314  803.357   13.281 16.17590 18.80511 
1 1 1    4    6   35 o  1084.48   12.232  7998.20  179.707  7830.41  250.297  8176.72  258.175  1072.77   17.217  1096.19   17.380 -23.42236 24.46421 
1 1 1    4    6   36 o  298.428   6.7760  604.097   27.398  594.912   38.300  613.722   39.209  296.107   9.5449  300.749   9.6205 -4.641418 13.55204 
1 1 1    4    6   37 o  592.599   10.258  2387.64   82.374  2379.00  116.000  2396.42  116.997  591.523   14.471  593.675   14.543 -2.152283 20.51587 
1 1 1    4    6   39 o  377.869   7.5533  968.552   38.678  968.552   38.678   0.0000   0.0000  377.869   7.5533  ?   ?       ?      ? 
1 1 1    4    6   40 o  222.967   4.4230  337.096   13.351  357.928   19.044  316.961   18.722  229.745   6.1167  216.190   6.3905 13.55495 8.846074 
1 1 1    4    6   41 o  110.146   4.6540   82.123   6.9328   75.122   9.5924   89.779   10.031  105.239   6.7262  115.053   6.4339 -9.814514 9.307902 
1 1 1    4    6   42 o  576.810   10.127  2260.31   79.158   0.0000   0.0000  2260.31   79.158  ?   ?   576.810   10.127      ?      ? 
1 1 1    4    6   43 o  384.421   7.7462  1001.48   40.282  1085.06   58.770  927.426   55.321  399.512   10.855  369.330   11.053 30.18158 15.49241 
1 1 1    4    6   44 o  433.582   7.1938  1276.96   39.667  1275.30   48.356  1280.38   69.356  433.389   8.2336  433.775   11.799 -0.3856812 14.38762 
1 1 1    4    6   45 o  208.421   4.3898  294.300   12.390  280.698   17.174  309.062   17.891  203.405   6.2305  213.437   6.1857 -10.03166 8.779668 
1 1 1    4    6   46 o   68.847   5.8687   32.137   5.4543   28.386   7.5438   36.246   7.8952   64.639   8.6122   73.056   7.9749 -8.417023 11.73749 
1 1 1    4    6   47 o  710.751   8.4465  3441.53   81.351  3420.49  114.504  3462.97  115.601  708.565   11.925  712.937   11.965 -4.372620 16.89305 
1 1 1    4    6   48 o  175.928   4.4377  209.992   10.578  207.153   14.778  212.974   15.147  174.711   6.2419  177.146   6.3098 -2.434647 8.875471 
1 1 1    4    6   49 o  541.208   6.8330  1992.43   50.109  1969.20   70.249  2016.49   71.497  538.004   9.6354  544.412   9.6912 -6.408264 13.66602 
1 1 1    4    6   50 o  373.645   7.6192  948.523   38.579  948.523   38.579   0.0000   0.0000  373.645   7.6192  ?   ?       ?      ? 
1 1 1    4    6   51 o  269.246   6.6592  492.276   24.297  492.276   24.297   0.0000   0.0000  269.246   6.6592  ?   ?       ?      ? 
1 1 1    4    6   52 o  254.108   4.6464  437.860   15.987  416.277   22.153  461.318   23.095  247.580   6.6029  260.636   6.5390 -13.05579 9.292777 
1 1 1    4    6   53 o  220.876   6.4127  331.320   19.194  331.320   19.194   0.0000   0.0000  220.876   6.4127  ?   ?       ?      ? 
1 1 1    4    6   54 o  274.280   6.7087  512.044   24.919  539.341   35.742  486.228   34.759  281.405   9.3727  267.156   9.6011 14.24902 13.41745 
1 1 1    4    6   55 o  268.717   9.4074  491.965   34.257  491.965   34.257   0.0000   0.0000  268.717   9.4074  ?   ?       ?      ? 
1 1 1    4    6   56 o  187.380   4.5237  238.529   11.483  247.170   16.325  230.068   16.154  190.745   6.3156  184.015   6.4782 6.729706 9.047358 
1 1 1    4    6   57 o  226.880   4.6196  349.655   14.199  337.553   19.875  362.271   20.292  222.867   6.5807  230.893   6.4853 -8.025909 9.239264 
1 1 1    4    6   58 o  257.870   4.7552  452.041   16.617  453.892   23.520  450.196   23.480  258.398   6.7169  257.342   6.7329 1.056030 9.510441 
1 1 1    4    6   59 o  429.745   5.9444  1258.06   34.618  1257.58   48.878  1258.54   49.036  429.667   8.3945  429.824   8.4187 -0.1568604 11.88875 
1 1 1    4    6   60 o  230.578   6.7488  362.821   21.086  368.975   29.951  356.773   29.691  232.523   9.5052  228.633   9.5831 3.890533 13.49760 
1 1 1    4    6   61 o   96.249   5.6142   63.100   7.3214   62.954   10.445   63.242   10.266   96.134   8.0174   96.364   7.8612 -0.2297363 11.22841 
1 1 1    4    6   62 o  186.503   4.6099  236.532   11.642  248.912   16.586  224.506   16.347  191.326   6.3971  181.680   6.6396 9.646515 9.219879 
1 1 1    4    6   63 o  184.202   4.6155  230.814   11.520  234.965   16.298  226.670   16.285  185.863   6.4709  182.541   6.5833 3.322693 9.231031 
1 1 1    4    6   64 o  218.411   4.6942  324.560   13.888  312.129   19.508  337.337   19.777  214.159   6.7219  222.663   6.5543 -8.503967 9.388467 
1 1 1    4    6   65 o  184.759   6.6366  232.361   16.616  232.361   16.616   0.0000   0.0000  184.759   6.6366  ?   ?       ?      ? 
1 1 1    4    6   66 o  169.611   4.7305  195.715   10.853  212.721   15.608  179.796   15.102  176.760   6.5161  162.463   6.8595 14.29655 9.461074 
1 1 1    4    6   67 f  230.734   4.7733  362.789   14.924  366.969   21.092  358.598   21.119  232.073   6.7068  229.394   6.7939 2.678970 9.546634 
1 1 1    4    6   68 o   86.543   6.1349   51.259   7.1848   54.991   10.272   47.685   10.054   89.648   8.4550   83.438   8.8915 6.210136 12.26971 
1 1 1    4    6   69 o  279.972   10.008  539.260   37.970  539.260   37.970   0.0000   0.0000  279.972   10.008  ?   ?       ?      ? 
1 1 1    4    6   70 o  285.254   7.0761  560.470   27.346  573.632   39.229  548.029   38.140  288.497   10.034  282.010   9.9801 6.486389 14.15229 
1 1 1    4    6   71 o   59.348   9.5940   26.420   7.6118   30.936   9.7167   19.246   12.247   66.843   10.727   51.854   15.909 14.98875 19.18791 
1 1 1    4    6   72 o  140.149   6.3447  139.641   11.156  123.333   19.277  147.853   13.679  133.313   10.670  146.985   6.8677 -13.67221 12.68946 
1 1 1    4    6   73 o  137.110   5.0016  128.892   9.2927  128.691   13.198  129.090   13.086  136.995   7.1094  137.224   7.0372 -0.2284698 10.00330 
1 1 1    4    6   74 o  135.535   6.1230  122.634   10.612  114.584   12.837  140.012   18.861  129.122   7.3362  141.947   9.8052 -12.82451 12.24590 
1 1 1    4    6   75 o  146.943   7.0253  150.200   13.962  137.829   19.254  163.920   20.276  140.503   10.113  153.383   9.7547 -12.88007 14.05052 
1 1 1    4    6   76 o  105.401   5.5243   76.831   7.8872   74.951   11.213   78.672   11.097  104.087   7.9493  106.715   7.6734 -2.627396 11.04862 
1 1 1    4    6   77 o  260.878   4.9672  469.565   17.557  480.604   24.908  458.664   24.752  263.966   6.9633  257.790   7.0855 6.176086 9.934319 
1 1 1    4    6   78 o  103.543   5.5471   74.406   7.7777   70.581   10.821   78.495   11.187  100.767   7.9241  106.320   7.7648 -5.552780 11.09429 
1 1 1    4    6   79 o   55.881   8.1299   22.877   6.0795   15.044   8.3530   31.700   8.8652   44.809   12.996   66.952   9.7710 -22.14322 16.25981 
1 1 1    4    6   80 o   57.618   8.0335   24.635   6.0484   23.653   8.4397   25.671   8.6727   56.379   11.438   58.857   11.284 -2.477928 16.06707 
1 1 1    4    6   81 o   77.984   6.4512   42.835   6.7076   33.343   9.1150   54.046   9.9063   68.335   9.8431   87.632   8.3418 -19.29789 12.90243 
1 1 1    4    6   82 o  102.500   7.0924   77.709   9.0687   69.044   15.742   82.012   11.095   96.834   11.997  108.167   7.5690 -11.33279 14.18480 
1 1 1    4    6   83 o   48.554   10.151   18.199   6.8686   19.845   11.922   17.382   8.4035   49.757   15.764   47.352   12.793 2.404194 20.30212 
1 1 1    4    6   84 o   73.398   9.4498   41.460   9.1881   44.643   13.047   38.328   12.942   77.144   12.480   69.653   14.193 7.490898 18.89960 
1 1 1    4    6   85 o   32.202   9.3500   2.0357   6.5755   10.604   10.843  -2.9485   8.2697   39.332   14.865   25.072   11.346 14.26031 18.69996 
1 1 1    4    6   86 o  120.146   6.5225  102.734   10.211  109.651   17.138   98.928   12.714  122.290   10.342  118.002   7.9511 4.288231 13.04495 
1 1 1    4    6   87 o   54.712   11.574   25.668   9.2523   26.714   12.443   24.375   13.837   56.293   15.713   53.131   16.999 3.161236 23.14861 
1 1 1    4    6   88 o   36.541   10.660   5.8977   8.8890  -0.9185   12.590   12.673   12.552   31.654   14.190   41.428   15.912 -9.774040 21.31982 
1 1 1    4    6   89 o  118.046   11.464  106.046   18.338   0.0000   0.0000  106.046   18.338  ?   ?   118.046   11.464      ?      ? 
1 1 1    4    6   90 o   43.418   10.840   13.164   8.8575   1.7321   11.974   26.976   13.162   32.103   14.145   54.732   16.431 -22.62883 21.68075 
1 1 1    4    6   91 o   30.978   9.7449  -0.4411   8.3894  -6.3335   11.488   6.2909   12.280   26.900   12.594   35.057   14.874 -8.156658 19.48973 
1 1 1    4    6   92 o   45.727   11.451   19.142   9.1495   13.411   13.026   24.723   12.854   40.343   15.999   51.110   16.388 -10.76717 22.90245 
1 1 1    4    6   93 o   32.422   9.8466  -0.5095   8.6854   15.141   12.691 -14.2965   11.912   41.076   15.939   23.768   11.567 17.30826 19.69327 
1 1 1    4    6   94 o   40.535   11.395   15.105   9.5686   10.050   13.602   20.057   13.463   36.642   15.604   44.428   16.610 -7.785732 22.78999 
1 1 1    4    6   95 o   47.217   11.775   23.903   9.7491   16.588   13.673   31.467   13.904   40.489   16.278   53.945   17.017 -13.45609 23.54961 
1 1 1    4    7    0 o  374.572   6.4885  951.935   30.868  952.287   37.595  951.207   54.075  374.753   7.4029  374.391   10.658 0.3624268 12.97706 
1 1 1    4    7    1 o  262.172   4.4386  465.976   15.768  466.513   22.181  465.428   22.421  262.326   6.2395  262.019   6.3145 0.3070679 8.877192 
1 1 1    4    7    2 o  935.026   10.647  5940.34  134.891  6035.41  192.592  5848.80  188.989  942.362   15.081  927.689   15.033 14.67346 21.29418 
1 1 1    4    7    3 o  606.995   7.3443  2499.98   60.411  2497.71   85.256  2502.27   85.613  606.719   10.369  607.270   10.403 -0.5502319 14.68865 
1 1 1    4    7    4 o  507.905   6.4146  1749.78   44.150  1754.81   62.373  1744.73   62.502  508.638   9.0491  507.172   9.0940 1.465454 12.82919 
1 1 1    4    7    5 o  526.766   6.5857  1882.15   47.010  1896.40   66.649  1868.03   66.318  528.752   9.3016  524.781   9.3254 3.970764 13.17131 
1 1 1    4    7    6 o  1164.59   13.052  9226.47  205.973  9351.14  293.702  9105.82  288.937  1172.33   18.487  1156.86   18.431 15.46472 26.10494 
1 1 1    4    7    7 o  340.286   6.0796  788.046   26.589  776.492   45.325  794.109   32.833  338.329   9.8858  342.243   7.0793 -3.913269 12.15918 
1 1 1    4    7    8 o  377.921   6.4491  971.815   31.297  958.671   53.462  978.669   38.604  375.912   10.495  379.929   7.4980 -4.017090 12.89812 
1 1 1    4    7    9 o  399.174   6.7185  1083.98   34.122  1090.29   41.686  1071.16   59.403  401.009   7.6710  397.340   11.032 3.669250 13.43701 
1 1 1    4    7   10 o  579.609   8.6804  2263.79   63.825  2234.80   77.403  2325.39  112.817  574.008   9.9507  585.211   14.226 -11.20239 17.36071 
1 1 1    4    7   11 f  101.283   4.8419   65.608   5.7083   62.189   6.4894   77.302   12.001   95.791   4.9992  106.775   8.2937 -10.98392 9.683878 
1 1 1    4    7   12 o  148.205   4.7719  150.137   8.1687  151.294   9.3796  146.506   16.622  149.413   4.6325  146.996   8.3442 2.417145 9.543874 
1 1 1    4    7   13 o  615.242   8.5920  2547.81   61.543  2528.58   70.661  2608.23  125.253  610.684   8.5385  619.800   14.913 -9.116821 17.18399 
1 1 1    4    7   14 o  366.047   6.0120  895.092   25.474  883.062   29.127  934.231   52.538  360.953   5.9547  371.141   10.446 -10.18808 12.02410 
1 1 1    4    7   15 o  309.281   5.8962  652.699   23.198  660.844   28.384  636.310   40.260  312.239   6.7080  306.323   9.6987 5.916595 11.79250 
1 1 1    4    7   16 o  498.716   6.3431  1686.22   42.866  1672.25   60.197  1700.59   61.054  496.621   8.9448  500.810   8.9962 -4.189056 12.68621 
1 1 1    4    7   17 o  908.346   10.368  5600.36  127.614  5559.51  179.476  5642.12  181.488  904.999   14.634  911.692   14.690 -6.692993 20.73540 
1 1 1    4    7   18 o  712.523   11.857  3447.06  114.472  3507.67  163.639  3388.99  160.191  718.651   16.803  706.395   16.734 12.25598 23.71455 
1 1 1    4    7   19 o  243.212   6.1591  401.055   20.299  403.470   28.708  398.641   28.707  243.945   8.6843  242.480   8.7363 1.465332 12.31828 
1 1 1    4    7   20 o  532.209   9.3970  1918.84   67.716  2009.12   98.165  1836.88   93.533  544.131   13.313  520.287   13.266 23.84479 18.79409 
1 1 1    4    7   21 f  594.033   7.2346  2392.74   58.233  2366.45   81.711  2419.88   83.013  590.718   10.207  597.347   10.255 -6.629395 14.46919 
1 1 1    4    7   22 o  712.204   8.3978  3440.81   81.046  3415.00  113.977  3467.20  115.268  709.505   11.854  714.904   11.898 -5.399414 16.79557 
1 1 1    4    7   23 o  489.699   6.2787  1625.82   41.663  1650.59   59.223  1601.55   58.623  493.393   8.8576  486.005   8.9011 7.387329 12.55733 
1 1 1    4    7   24 o  600.741   7.3045  2447.16   59.458  2415.60   83.302  2479.94   84.893  596.794   10.300  604.687   10.360 -7.892944 14.60906 
1 1 1    4    7   25 o  212.138   6.0467  305.030   17.383  305.030   17.383   0.0000   0.0000  212.138   6.0467  ?   ?       ?      ? 
1 1 1    4    7   26 o  532.177   6.6647  1920.68   48.064  1924.67   67.912  1916.68   68.033  532.731   9.4071  531.622   9.4435 1.108765 13.32943 
1 1 1    4    7   27 o  789.513   9.1785  4230.78   98.197  4202.09  138.127  4260.09  139.627  786.809   12.955  792.216   13.006 -5.406128 18.35699 
1 1 1    4    7   28 o  356.434   5.1851  861.336   25.043  874.166   35.480  848.598   35.353  359.080   7.2914  353.787   7.3741 5.292603 10.37021 
1 1 1    4    7   29 o  227.942   4.3951  351.879   13.570  341.056   18.841  363.544   19.560  224.304   6.1984  231.580   6.2329 -7.276443 8.790291 
1 1 1    4    7   30 o  247.783   4.4856  415.901   15.056  404.715   20.940  427.873   21.663  244.336   6.3241  251.229   6.3629 -6.892639 8.971108 
1 1 1    4    7   31 o  350.309   5.1445  832.118   24.421  841.888   34.521  822.330   34.551  352.369   7.2293  348.249   7.3213 4.120026 10.28905 
1 1 1    4    7   32 o  612.111   7.4380  2541.94   61.689  2594.50   88.069  2491.30   86.438  618.323   10.511  605.900   10.527 12.42297 14.87608 
1 1 1    4    7   33 o  923.490   12.931  5791.91  152.320  5852.09  265.215  5762.28  186.069  926.301   21.128  920.680   14.914 5.621033 25.86151 
1 1 1    4    7   34 o  449.581   7.2985  1375.80   42.104  1359.44   72.059  1384.28   51.882  447.421   11.885  451.740   8.4751 -4.318329 14.59698 
1 1 1    4    7   35 o  858.255   12.131  4990.50  132.367  4942.58  161.012  5090.43  232.491  852.664   13.935  863.845   19.860 -11.18134 24.26127 
1 1 1    4    7   36 o  195.210   5.3220  257.433   13.187  255.525   16.021  261.441   23.221  194.129   6.0900  196.292   8.7297 -2.163101 10.64403 
1 1 1    4    7   37 o  522.230   6.6170  1851.18   46.827  1853.70   66.090  1848.64   66.359  522.589   9.3323  521.870   9.3833 0.7192383 13.23397 
1 1 1    4    7   38 o  298.526   4.8139  604.508   19.473  612.155   27.487  596.804   27.590  300.424   6.7517  296.629   6.8636 3.795837 9.627818 
1 1 1    4    7   39 o  422.936   5.7549  1213.93   32.982  1227.61   46.717  1200.34   46.571  425.314   8.1056  420.559   8.1716 4.754730 11.50975 
1 1 1    4    7   40 o  327.255   6.1636  716.502   25.510  698.358   30.764  756.441   45.643  320.831   7.0759  333.679   10.094 -12.84808 12.32711 
1 1 1    4    7   41 o  439.191   7.2377  1300.95   40.346  1282.95   48.944  1339.11   71.268  434.711   8.3084  443.670   11.854 -8.959534 14.47539 
1 1 1    4    7   42 o  510.164   8.0443  1795.13   52.922  1688.11   88.425  1854.86   66.059  497.818   13.107  522.509   9.3295 -24.69070 16.08867 
1 1 1    4    7   43 o  377.999   6.5959  951.151   31.700  1027.70   56.428  915.853   38.317  388.710   10.712  367.288   7.6984 21.42209 13.19176 
1 1 1    4    7   44 o  412.755   5.6892  1157.02   31.821  1154.64   44.785  1159.44   45.221  412.331   8.0150  413.180   8.0765 -0.8487244 11.37844 
1 1 1    4    7   45 o  303.325   4.8900  624.598   20.098  629.162   28.306  619.957   28.542  304.447   6.8610  302.203   6.9696 2.244202 9.779967 
1 1 1    4    7   46 o  524.798   6.6754  1872.73   47.470  1856.11   66.659  1889.82   67.617  522.442   9.4154  527.155   9.4653 -4.713196 13.35075 
1 1 1    4    7   47 o  172.545   4.4228  202.122   10.339  206.674   14.577  197.516   14.665  174.505   6.1642  170.586   6.3440 3.918625 8.845538 
1 1 1    4    7   48 o  172.691   4.4106  202.385   10.320  199.732   14.450  205.148   14.744  171.537   6.2163  173.846   6.2586 -2.308426 8.821163 
1 1 1    4    7   49 o  143.659   4.5097  140.034   8.7761  137.274   12.206  142.987   12.627  142.197   6.3345  145.122   6.4207 -2.924545 9.019471 
1 1 1    4    7   50 o  208.439   4.4756  295.092   12.636  305.628   17.867  284.549   17.872  212.170   6.2142  204.707   6.4426 7.462814 8.951195 
1 1 1    4    7   51 o  219.078   5.4821  325.612   15.433  328.364   26.466  324.194   18.996  219.664   8.8910  218.492   6.4158 1.172256 10.96418 
1 1 1    4    7   52 o  427.017   7.1439  1237.24   38.993  1259.72   67.734  1226.09   47.688  429.494   11.638  424.541   8.2890 4.953430 14.28790 
1 1 1    4    7   53 o   99.095   5.1623   66.765   6.9232   62.362   9.7234   71.292   9.8597   95.772   7.4920  102.418   7.1040 -6.645943 10.32463 
1 1 1    4    7   54 o   70.229   7.2930   32.436   6.6941   29.400   8.2742   38.187   11.389   65.689   9.2950   74.769   11.241 -9.079659 14.58592 
1 1 1    4    7   55 o   75.782   6.0760   39.156   6.2155   43.571   8.8621   34.882   8.7196   80.009   8.1736   71.555   8.9924 8.454514 12.15203 
1 1 1    4    7   56 o  261.285   4.7530  463.970   16.826  477.154   23.963  451.150   23.631  264.951   6.6742  257.619   6.7689 7.332458 9.505932 
1 1 1    4    7   57 o  185.544   5.6883  236.911   13.429  241.961   16.478  226.922   23.174  188.680   6.4448  182.408   9.3751 6.271576 11.37661 
1 1 1    4    7   58 f  133.924   6.7762  122.404   12.289  122.637   17.079  122.155   17.698  134.074   9.3999  133.774   9.7625 0.2997589 13.55231 
1 1 1    4    7   59 o  247.836   6.8041  419.165   22.848  410.287   31.960  428.444   32.675  245.153   9.6202  250.518   9.6247 -5.365082 13.60821 
1 1 1    4    7   60 o  159.734   5.9838  176.277   12.198  166.778   20.852  181.219   15.040  156.247   9.8482  163.220   6.7996 -6.973419 11.96758 
1 1 1    4    7   61 o  161.691   4.6800  177.830   10.254  178.321   14.573  177.349   14.432  161.910   6.6417  161.473   6.5953 0.4371643 9.360003 
1 1 1    4    7   62 o  182.290   4.6592  226.004   11.506  233.737   16.418  218.539   16.131  185.360   6.5360  179.221   6.6418 6.139145 9.318423 
1 1 1    4    7   63 o  204.638   4.6977  284.830   13.020  298.968   18.642  271.368   18.191  209.603   6.5631  199.673   6.7230 9.930298 9.395354 
1 1 1    4    7   64 o   92.490   5.8115   58.437   7.2701   54.085   10.247   62.848   10.316   88.996   8.4965   95.984   7.9313 -6.987267 11.62305 
1 1 1    4    7   65 f  124.665   5.0917  105.915   8.6006  108.179   12.278  103.735   12.051  125.973   7.1925  123.357   7.2091 2.616135 10.18348 
1 1 1    4    7   66 f  188.221   4.7574  241.284   12.129  251.616   17.386  231.488   16.929  192.152   6.6769  184.290   6.7787 7.862198 9.514831 
1 1 1    4    7   67 o   52.512   11.181   19.622   8.8839   12.973   13.166   25.178   12.037   46.120   16.557   58.904   15.030 -12.78354 22.36206 
1 1 1    4    7   68 o  229.859   6.8498  360.663   21.336   0.0000   0.0000  360.663   21.336  ?   ?   229.859   6.8498      ?      ? 
1 1 1    4    7   69 o  119.601   7.4638   97.875   12.097   97.875   12.097   0.0000   0.0000  119.601   7.4638  ?   ?       ?      ? 
1 1 1    4    7   70 o  238.241   5.9827  395.088   18.236  406.296   22.556  373.937   30.987  243.760   6.8284  232.723   9.8257 11.03745 11.96546 
1 1 1    4    7   71 o  123.126   5.3519  103.991   8.9285  106.596   12.713  101.456   12.542  124.656   7.5260  121.597   7.6113 3.059425 10.70387 
1 1 1    4    7   72 o  241.440   6.0180  400.957   18.451  399.052   22.462  404.910   32.356  241.293   6.8693  241.587   9.8832 -0.2932739 12.03599 
1 1 1    4    7   73 o   66.583   9.2236   33.504   7.5348   36.184   9.1533   27.873   13.270   72.219   9.3529   60.947   15.900 11.27181 18.44724 
1 1 1    4    7   74 o   79.925   6.3788   44.323   6.8822   39.314   9.5670   49.695   9.9078   75.167   9.3922   84.682   8.6339 -9.515022 12.75761 
1 1 1    4    7   75 o   96.600   7.5073   71.340   8.8248   49.705   14.745   83.415   11.015   83.263   13.068  109.936   7.3940 -26.67308 15.01468 
1 1 1    4    7   76 o   44.774   9.0336   14.729   6.0182   8.9841   8.6317   20.164   8.3953   37.388   13.408   52.159   12.110 -14.77168 18.06729 
1 1 1    4    7   77 o   73.715   6.6795   38.383   6.6097   32.445   9.3229   44.384   9.3723   67.746   10.155   79.683   8.6795 -11.93739 13.35891 
1 1 1    4    7   78 o   92.100   5.8625   59.414   7.2993   63.746   10.292   55.031   10.354   95.600   7.9446   88.600   8.6233 7.000092 11.72508 
1 1 1    4    7   79 o   85.776   6.1627   51.874   7.1090   44.165   9.9245   59.999   10.188   79.009   9.2694   92.544   8.1237 -13.53538 12.32540 
1 1 1    4    7   80 o   42.734   10.055   13.756   6.7774   10.717   11.524   15.363   8.3795   40.594   15.329   44.874   13.018 -4.279942 20.11035 
1 1 1    4    7   81 o   84.073   7.7784   53.043   8.3003   45.776   13.797   57.165   10.391   78.263   13.009   89.883   8.5308 -11.61980 15.55685 
1 1 1    4    7   82 f   39.461   9.6890   11.439   6.6834   4.0197   11.391   15.333   8.2532   34.387   14.443   44.536   12.919 -10.14843 19.37805 
1 1 1    4    7   83 o   71.958   8.5621   39.129   7.7122   38.781   13.023   39.318   9.5707   70.040   14.207   73.876   9.5600 -3.835922 17.12421 
1 1 1    4    7   84 o   63.952   10.472   33.013   9.0390   23.954   12.434   43.165   13.163   53.703   15.936   74.201   13.592 -20.49867 20.94463 
1 1 1    4    7   85 o   93.235   11.566   64.977   14.614   64.977   14.614   0.0000   0.0000   93.235   11.566  ?   ?       ?      ? 
1 1 1    4    7   86 o   93.944   8.7220   66.537   11.047   59.609   14.789   75.282   16.617   88.467   12.336   99.422   12.333 -10.95568 17.44404 
1 1 1    4    7   87 o   65.508   11.108   35.701   9.7273   29.560   12.914   43.755   14.789   58.784   15.850   72.232   15.567 -13.44780 22.21609 
1 1 1    4    7   88 o   30.181   9.6282  -1.6720   8.3719   0.4477   11.272  -4.2796   12.502   30.823   13.645   29.538   13.588 1.285290 19.25648 
1 1 1    4    7   89 o   58.423   17.013   31.249   14.288   0.0000   0.0000   31.249   14.288  ?   ?    58.423   17.013      ?      ? 
1 1 1    4    7   90 o   34.197   10.405   3.7799   8.8473  -1.7661   11.945   10.520   13.168   29.724   13.524   38.671   15.817 -8.947468 20.81073 
1 1 1    4    7   91 o   40.394   11.174   12.830   9.2317   19.591   13.043   6.0428   13.068   45.822   16.477   34.966   15.098 10.85692 22.34829 
1 1 1    4    7   92 o   86.762   10.101   65.286   11.612   69.599   16.639   61.191   16.213   90.652   13.545   82.871   14.989 7.781090 20.20213 
1 1 1    4    7   93 f   48.311   12.124   24.637   9.9581   24.176   14.215   25.081   13.955   47.804   17.200   48.818   17.092 -1.014305 24.24826 
1 1 1    4    7   94 o   39.552   10.909   13.204   9.3373   1.4024   13.119   25.320   13.293   30.686   14.043   48.419   16.697 -17.73342 21.81718 
1 1 1    4    8    0 o  384.105   6.5342  1006.63   32.362  980.138   54.621  1020.97   40.172  380.138   10.603  388.072   7.6389 -7.933716 13.06834 
1 1 1    4    8    1 o  687.053   8.1783  3199.62   76.110  3297.25  109.640  3108.81  105.738  697.157   11.605  676.948   11.526 20.20911 16.35663 
1 1 1    4    8    2 o  640.732   7.6914  2784.35   66.778  2758.26   93.745  2811.24   95.148  637.686   10.848  643.778   10.906 -6.091492 15.38288 
1 1 1    4    8    3 o  931.950   10.618  5896.59  134.090  5947.64  190.490  5846.44  188.787  935.947   15.019  927.952   15.013 7.995361 21.23563 
1 1 1    4    8    4 o  139.935   4.2062  132.487   7.9671  127.992   10.954  137.537   11.609  137.419   5.8820  142.450   6.0141 -5.030930 8.412308 
1 1 1    4    8    5 o  556.865   6.8893  2102.36   51.980  2072.64   72.734  2133.38   74.313  552.846   9.7085  560.884   9.7771 -8.038574 13.77852 
1 1 1    4    8    6 o  998.259   11.300  6766.95  152.859  6725.35  215.130  6809.37  217.235  995.165   15.952  1001.35   16.009 -6.188782 22.59996 
1 1 1    4    8    7 o  871.500   12.261  5133.85  135.809  5085.89  165.129  5234.10  238.744  865.630   14.077  877.370   20.080 -11.73987 24.52288 
1 1 1    4    8    8 o  180.145   5.2008  216.938   11.793  211.955   14.169  228.171   21.274  176.840   5.9126  183.449   8.5577 -6.609772 10.40158 
1 1 1    4    8    9 o  582.485   8.7764  2303.81   65.175  2307.50   79.692  2296.37  113.258  583.319   10.081  581.651   14.369 1.668030 17.55282 
1 1 1    4    8   10 o  912.466   12.761  5545.12  146.330  5367.42  175.242  5954.38  265.947  889.237   14.542  935.695   20.974 -46.45691 25.52227 
1 1 1    4    8   11 o  314.651   6.0309  677.687   24.124  690.322   29.546  652.419   41.782  319.127   6.8321  310.174   9.9402 8.952850 12.06177 
1 1 1    4    8   12 o  529.993   7.7552  1938.35   48.540  1974.24   56.503  1837.27   94.832  539.653   7.7264  520.332   13.449 19.32080 15.51040 
1 1 1    4    8   13 o  905.287   11.924  5559.58  146.278  5559.58  146.278   0.0000   0.0000  905.287   11.924  ?   ?       ?      ? 
1 1 1    4    8   14 o  399.987   6.3378  1084.40   34.353  1084.40   34.353   0.0000   0.0000  399.987   6.3378  ?   ?       ?      ? 
1 1 1    4    8   15 o  1020.84   13.327  6676.14  151.780  6390.67  169.811  7810.31  338.474  970.492   12.912  1071.18   23.317 -100.6921 26.65359 
1 1 1    4    8   16 o  892.639   11.833  5353.43  122.786  5299.19  140.796  5525.68  250.916  883.838   11.755  901.440   20.540 -17.60205 23.66633 
1 1 1    4    8   17 o  732.641   9.9590  3640.98   85.371  3638.83   98.427  3647.53  171.535  732.520   9.9154  732.762   17.275 -0.2417603 19.91800 
1 1 1    4    8   18 o  499.990   7.3892  1683.51   42.987  1672.26   49.351  1718.87   87.514  496.675   7.3323  503.304   12.831 -6.628204 14.77838 
1 1 1    4    8   19 f  247.099   6.3023  413.857   21.103  413.857   21.103   0.0000   0.0000  247.099   6.3023  ?   ?       ?      ? 
1 1 1    4    8   20 o  745.247   8.7237  3768.53   88.101  3768.94  124.463  3768.11  124.726  745.289   12.323  745.205   12.351 0.8404541E-01 17.44740 
1 1 1    4    8   21 o  212.556   4.3348  306.259   12.485  312.157   17.667  300.376   17.645  214.601   6.0749  210.511   6.1853 4.089874 8.669661 
1 1 1    4    8   22 o  377.452   5.3515  965.697   27.369  988.943   38.989  943.115   38.428  381.930   7.5332  372.974   7.6031 8.956390 10.70305 
1 1 1    4    8   23 o  901.388   10.321  5517.09  126.061  5461.88  177.067  5573.84  179.512  896.820   14.570  905.957   14.622 -9.137756 20.64159 
1 1 1    4    8   24 o  239.717   4.4646  389.328   14.499  379.649   20.234  399.544   20.787  236.656   6.3093  242.778   6.3184 -6.121536 8.929136 
1 1 1    4    8   25 o  345.673   7.2549  810.123   33.984   0.0000   0.0000  810.123   33.984  ?   ?   345.673   7.2549      ?      ? 
1 1 1    4    8   26 o  323.118   4.9550  707.787   21.695  703.139   30.465  712.569   30.902  322.043   6.9808  324.193   7.0339 -2.150665 9.909972 
1 1 1    4    8   27 o  118.126   6.5553   94.599   10.494   0.0000   0.0000   94.599   10.494  ?   ?   118.126   6.5553      ?      ? 
1 1 1    4    8   28 o  279.960   4.6883  531.407   17.785  541.175   25.176  521.677   25.127  282.530   6.5756  277.391   6.6845 5.139313 9.376625 
1 1 1    4    8   29 o  822.325   11.692  4629.34  123.515  4504.72  209.980  4695.27  152.734  813.288   19.052  831.361   13.557 -18.07294 23.38348 
1 1 1    4    8   30 f  488.200   7.7092  1609.28   48.009  1642.95   83.828  1592.85   58.565  491.837   12.577  484.564   8.9187 7.272644 15.41850 
1 1 1    4    8   31 o  421.663   5.7290  1205.97   32.735  1204.12   46.077  1207.85   46.515  421.340   8.0699  421.987   8.1341 -0.6474609 11.45805 
1 1 1    4    8   32 o  694.980   8.2614  3280.24   77.803  3307.62  110.358  3253.18  109.706  697.865   11.669  692.094   11.697 5.771545 16.52274 
1 1 1    4    8   33 o  296.081   9.7085  595.024   38.953   0.0000   0.0000  595.024   38.953  ?   ?   296.081   9.7085      ?      ? 
1 1 1    4    8   34 o  303.940   9.8027  627.146   40.375   0.0000   0.0000  627.146   40.375  ?   ?   303.940   9.8027      ?      ? 
1 1 1    4    8   35 o  463.260   6.1005  1455.72   38.286  1425.51   53.348  1487.80   54.978  458.311   8.5897  468.209   8.6650 -9.898529 12.20103 
1 1 1    4    8   36 o  335.565   5.0979  763.960   23.180  771.980   32.709  755.869   32.854  337.337   7.1553  333.792   7.2633 3.544739 10.19578 
1 1 1    4    8   37 o  203.942   5.3930  283.631   13.951  286.250   17.010  278.250   24.385  205.442   6.1101  202.442   8.8885 2.999283 10.78606 
1 1 1    4    8   38 o   65.912   6.1677   29.391   5.4988   27.372   7.5247   31.704   8.0554   63.492   8.7456   68.332   8.6993 -4.840012 12.33540 
1 1 1    4    8   39 o  300.867   4.8698  614.077   19.852  606.681   27.785  621.789   28.374  299.019   6.8570  302.715   6.9168 -3.696442 9.739649 
1 1 1    4    8   40 o  526.582   6.6893  1884.02   47.730  1867.25   66.986  1901.31   68.028  524.207   9.4297  528.956   9.4904 -4.749451 13.37865 
1 1 1    4    8   41 f  230.488   8.9528  360.955   27.964  360.955   27.964   0.0000   0.0000  230.488   8.9528  ?   ?       ?      ? 
1 1 1    4    8   42 o  171.110   5.5627  206.670   12.146  173.313   20.024  226.088   15.277  159.680   9.2537  182.539   6.1761 -22.85867 11.12538 
1 1 1    4    8   43 o  209.046   4.4584  296.119   12.620  281.131   17.488  312.405   18.229  203.533   6.3404  214.559   6.2696 -11.02634 8.916732 
1 1 1    4    8   44 o  485.089   6.3322  1599.58   41.623  1623.00   59.169  1576.65   58.564  488.607   8.9361  481.572   8.9740 7.034821 12.66441 
1 1 1    4    8   45 o  416.575   5.7566  1179.10   32.494  1167.13   45.584  1191.46   46.332  414.430   8.1167  418.720   8.1654 -4.290100 11.51324 
1 1 1    4    8   46 o  201.665   4.4823  276.156   12.240  289.685   17.366  262.799   17.255  206.583   6.2033  196.748   6.4718 9.835434 8.964691 
1 1 1    4    8   47 o  305.378   4.9484  633.423   20.477  635.433   28.848  631.383   29.071  305.870   6.9598  304.886   7.0361 0.9844971 9.896743 
1 1 1    4    8   48 o  211.159   5.4924  303.764   14.921  300.854   25.408  305.296   18.435  210.280   8.9165  212.039   6.4158 -1.758972 10.98483 
1 1 1    4    8   49 o  222.756   5.5584  339.346   15.928  330.961   27.020  343.813   19.719  220.512   9.0420  225.000   6.4671 -4.488388 11.11675 
1 1 1    4    8   50 o   97.726   5.1620   64.838   6.8322   62.606   9.4735   67.257   9.8624   95.976   7.2840   99.475   7.3162 -3.499763 10.32391 
1 1 1    4    8   51 o  131.631   4.6554  117.545   8.2969  110.999   11.511  124.623   11.970  127.819   6.6454  135.443   6.5216 -7.623718 9.310885 
1 1 1    4    8   52 o  239.769   4.6378  390.286   15.063  376.336   20.973  405.145   21.646  235.346   6.5762  244.192   6.5414 -8.845566 9.275548 
1 1 1    4    8   53 o  166.268   5.5920  188.995   11.872  190.802   14.571  185.428   20.477  167.576   6.4164  164.961   9.1603 2.614334 11.18399 
1 1 1    4    8   54 o  446.985   7.4401  1366.25   42.457  1370.06   52.020  1358.66   73.480  448.506   8.5589  445.464   12.172 3.042542 14.88023 
1 1 1    4    8   55 o  123.628   5.9561   99.137   9.3832   90.513   11.266  118.665   16.953  115.357   7.2069  131.899   9.4848 -16.54152 11.91222 
1 1 1    4    8   56 o  130.027   4.8836  114.730   8.5849  104.164   11.868  126.326   12.433  123.749   7.0773  136.304   6.7311 -12.55544 9.767106 
1 1 1    4    8   57 o  294.854   5.0250  591.024   20.068  617.899   28.788  565.620   27.989  301.379   7.0489  288.329   7.1635 13.04990 10.04998 
1 1 1    4    8   58 o  217.036   4.7457  319.716   13.925  290.241   19.261  351.992   20.155  206.557   6.8811  227.515   6.5373 -20.95830 9.491338 
1 1 1    4    8   59 o  323.386   6.3886  711.417   26.331  720.368   45.935  707.036   32.135  324.508   10.446  322.264   7.3584 2.243805 12.77728 
1 1 1    4    8   60 o  131.811   6.3738  121.711   10.510  110.259   18.425  127.235   12.796  126.892   10.715  136.731   6.9059 -9.839989 12.74758 
1 1 1    4    8   61 o  148.400   4.8564  149.944   9.7640  148.123   13.912  151.712   13.707  147.503   6.9599  149.298   6.7750 -1.794632 9.712895 
1 1 1    4    8   62 o  150.377   5.9263  153.311   11.418  157.574   19.782  151.180   13.983  151.759   9.6189  148.996   6.9254 2.763214 11.85262 
1 1 1    4    8   63 o  164.400   9.8352  185.152   21.911  185.152   21.911   0.0000   0.0000  164.400   9.8352  ?   ?       ?      ? 
1 1 1    4    8   64 o  127.632   7.9614  111.884   13.462   82.751   18.351  145.822   19.807  109.473   12.370  145.792   10.026 -36.31842 15.92280 
1 1 1    4    8   65 o  119.340   6.3394   95.229   9.6607  104.517   17.095   90.871   11.710  123.316   10.230  115.364   7.4903 7.952545 12.67884 
1 1 1    4    8   66 o  108.319   5.4484   80.305   7.9871   76.036   11.341   84.508   11.251  105.430   7.9377  111.209   7.4655 -5.779289 10.89680 
1 1 1    4    8   67 o   50.717   8.8527   18.666   6.1291   14.262   8.7332   22.942   8.6040   44.868   13.364   56.566   11.613 -11.69820 17.70532 
1 1 1    4    8   68 o  142.303   4.9515  138.325   9.5298  126.727   13.259  150.720   13.707  136.103   7.1887  148.502   6.8111 -12.39885 9.902983 
1 1 1    4    8   69 o   67.051   7.3016   31.141   6.6323   30.144   9.3547   32.148   9.4046   65.953   10.467   68.150   10.183 -2.197327 14.60325 
1 1 1    4    8   70 o  146.350   7.0192  146.778   13.921  146.778   13.921   0.0000   0.0000  146.350   7.0192  ?   ?       ?      ? 
1 1 1    4    8   71 o  134.360   5.1332  123.788   9.3389  118.962   12.899  129.103   13.539  131.619   7.2319  137.101   7.2870 -5.481384 10.26649 
1 1 1    4    8   72 o   67.351   7.5604   32.066   6.6398   25.267   9.0799   39.881   9.7345   58.955   11.777   75.746   9.4836 -16.79045 15.12090 
1 1 1    4    8   73 o   79.076   6.4099   43.438   6.8652   41.825   9.5368   45.174   9.8906   77.551   9.0747   80.600   9.0553 -3.049614 12.81982 
1 1 1    4    8   74 o  132.672   5.0701  121.529   9.1061  127.746   12.874  115.302   12.882  136.133   6.9784  129.210   7.3572 6.923172 10.14029 
1 1 1    4    8   75 o  155.729   6.0391  168.560   12.011  170.533   20.816  167.576   14.706  155.680   9.8668  155.778   6.9662 -0.9757996E-01 12.07817 
1 1 1    4    8   76 o   39.699   9.9283   10.777   6.7317   6.3137   11.389   13.173   8.3454   37.059   14.872   42.338   13.157 -5.278923 19.85660 
1 1 1    4    8   77 o  103.764   5.5319   74.893   7.7533   66.905   10.685   83.774   11.267   97.847   8.0585  109.681   7.5807 -11.83417 11.06375 
1 1 1    4    8   78 o  166.493   6.1375  198.762   13.007  184.435   22.122  206.332   16.080  160.638   10.162  172.348   6.8850 -11.71040 12.27501 
1 1 1    4    8   79 o   94.679   7.6293   68.270   9.0155   53.706   14.974   76.550   11.291   84.973   13.004  104.386   7.9821 -19.41334 15.25859 
1 1 1    4    8   80 o   43.868   10.232   14.708   6.9833   13.632   11.342   15.364   8.8622   43.107   15.379   44.630   13.501 -1.523407 20.46477 
1 1 1    4    8   81 o   36.539   9.8072   8.4241   6.8515   3.4147   11.207   11.414   8.6580   33.693   14.248   39.385   13.480 -5.691936 19.61435 
1 1 1    4    8   82 o   35.212   9.5287   4.1894   6.5700   15.751   11.071  -2.0958   8.1628   44.892   15.244   25.532   11.437 19.35994 19.05744 
1 1 1    4    8   83 o   80.909   9.5405   50.864   10.190   52.296   13.989   49.246   14.874   83.229   12.403   78.589   14.500 4.639984 19.08099 
1 1 1    4    8   84 o   38.421   10.914   6.9104   8.6217   1.5666   10.901   15.838   14.090   31.632   13.724   45.211   16.975 -13.57930 21.82880 
1 1 1    4    8   85 o   71.448   14.711   41.657   13.769   41.657   13.769   0.0000   0.0000   71.448   14.711  ?   ?       ?      ? 
1 1 1    4    8   86 o   93.684   9.0235   67.941   11.447   65.190   15.813   70.969   16.591   91.733   12.720   95.636   12.802 -3.902824 18.04702 
1 1 1    4    8   87 o   49.984   11.313   21.502   9.3668   31.032   13.020   11.277   13.486   59.751   15.827   40.217   16.168 19.53383 22.62519 
1 1 1    4    8   88 o   79.259   10.581   52.371   11.054   41.767   14.958   65.128   16.406   68.596   16.327   89.922   13.464 -21.32566 21.16237 
1 1 1    4    8   89 o   55.002   17.697   29.322   14.979   0.0000   0.0000   29.322   14.979  ?   ?    55.002   17.697      ?      ? 
1 1 1    4    8   90 o   50.209   11.929   23.987   10.422   12.456   14.802   35.324   14.677   39.981   16.603   60.436   17.134 -20.45442 23.85837 
1 1 1    4    8   91 o   32.798   10.151   1.4477   9.1779  -9.4596   12.855   12.788   13.108   26.512   12.676   39.084   15.859 -12.57250 20.30266 
1 1 1    4    8   92 o   47.006   11.205   21.110   9.7468   6.5823   13.831   35.440   13.737   34.478   15.196   59.535   16.471 -25.05726 22.41030 
1 1 1    4    9    0 f  658.070   7.8806  2934.70   70.243  2855.17   97.476  3020.60  101.311  648.808   11.087  667.332   11.203 -18.52454 15.76129 
1 1 1    4    9    1 o  266.955   4.6167  482.490   16.690  467.910   23.102  498.411   24.140  262.741   6.4884  271.168   6.5692 -8.427094 9.233310 
1 1 1    4    9    2 f  746.075   8.7475  3776.20   88.437  3756.83  124.414  3795.97  125.734  744.145   12.338  748.005   12.404 -3.860657 17.49506 
1 1 1    4    9    3 o  412.084   5.6467  1151.04   31.527  1182.28   44.870  1120.57   44.308  417.608   7.9287  406.560   8.0422 11.04843 11.29347 
1 1 1    4    9    4 o  441.399   5.8929  1320.45   35.240  1363.32   50.304  1279.14   49.382  448.433   8.2779  434.365   8.3895 14.06836 11.78585 
1 1 1    4    9    5 o  842.378   11.917  4852.44  128.853  4924.42  159.204  4715.75  219.393  851.829   13.792  832.927   19.437 18.90149 23.83309 
1 1 1    4    9    6 o  524.122   8.1025  1865.23   54.203  1868.89   66.355  1857.88   93.966  524.995   9.3269  523.249   13.252 1.746277 16.20506 
1 1 1    4    9    7 o  461.114   7.4154  1449.07   43.730  1463.60   53.751  1420.63   75.204  464.622   8.5371  457.606   12.127 7.015808 14.83086 
1 1 1    4    9    8 o  356.101   6.3550  859.796   28.828  859.777   35.207  859.835   50.220  356.137   7.2950  356.065   10.408 0.7244873E-01 12.70997 
1 1 1    4    9    9 f  461.544   6.0754  1443.59   37.987  1416.64   52.924  1472.23   54.557  457.104   8.5438  465.984   8.6397 -8.880157 12.15080 
1 1 1    4    9   10 o  282.536   5.8071  533.676   20.650  521.394   24.808  561.381   37.260  277.347   6.6007  287.726   9.5562 -10.37845 11.61425 
1 1 1    4    9   11 o  833.579   11.130  4664.38  107.622  4614.72  123.271  4823.56  220.705  824.823   11.029  842.336   19.335 -17.51245 22.25921 
1 1 1    4    9   12 o  364.232   6.1081  874.735   25.533  853.903   29.012  946.303   53.773  354.941   6.0317  373.522   10.623 -18.58136 12.21626 
1 1 1    4    9   13 o  726.704   9.9046  3509.73   82.977  3444.34   94.591  3728.06  172.839  712.662   9.7945  740.746   17.218 -28.08447 19.80916 
1 1 1    4    9   14 o  442.849   6.8711  1326.59   35.406  1323.36   40.690  1336.67   71.843  441.843   6.7958  443.855   11.944 -2.012451 13.74224 
1 1 1    4    9   15 o  227.872   5.1088  342.074   13.478  333.325   15.369  371.209   28.046  221.770   5.1140  233.974   8.8456 -12.20407 10.21750 
1 1 1    4    9   16 o  517.057   7.6105  1815.98   46.008  1818.32   53.047  1808.85   92.422  517.886   7.5587  516.228   13.211 1.657532 15.22095 
1 1 1    4    9   17 o  177.520   4.9851  207.146   10.326  201.200   11.810  226.446   21.277  172.298   5.0583  182.742   8.5918 -10.44455 9.970253 
1 1 1    4    9   18 o  172.719   5.0388  201.617   10.155  201.016   11.684  203.472   20.530  172.219   5.0066  173.219   8.7461 -1.000351 10.07767 
1 1 1    4    9   19 o  549.945   11.597  2052.34   86.426  2052.34   86.426   0.0000   0.0000  549.945   11.597  ?   ?       ?      ? 
1 1 1    4    9   20 o  826.916   11.076  4646.50  107.330  4646.53  123.868  4646.43  215.001  827.517   11.046  826.314   19.200 1.203064 22.15105 
1 1 1    4    9   21 o  343.681   5.9550  791.808   23.855  783.141   27.381  819.105   48.594  339.899   5.9445  347.464   10.320 -7.565094 11.90992 
1 1 1    4    9   22 o  122.668   6.5032  102.011   10.810  102.011   10.810   0.0000   0.0000  122.668   6.5032  ?   ?       ?      ? 
1 1 1    4    9   23 o  223.470   4.4618  338.499   13.511  333.101   18.979  344.045   19.238  221.664   6.3182  225.276   6.3016 -3.612152 8.923575 
1 1 1    4    9   24 o  699.011   8.2988  3315.53   78.593  3394.75  112.572  3240.20  109.774  707.152   11.747  690.871   11.725 16.28168 16.59750 
1 1 1    4    9   25 o  655.924   9.6549  2934.41   81.213  2887.02  138.991  2958.98  100.074  651.600   15.741  660.247   11.185 -8.647400 19.30981 
1 1 1    4    9   26 o  214.462   5.4270  307.212   14.851  325.761   26.147  298.378   18.044  219.138   8.8048  209.785   6.3469 9.353241 10.85392 
1 1 1    4    9   27 o  257.374   4.6045  449.110   16.059  446.091   22.596  452.191   22.827  256.500   6.5008  258.248   6.5227 -1.747192 9.208979 
1 1 1    4    9   28 o  315.797   4.9506  676.295   21.185  677.111   29.832  675.466   30.090  315.990   6.9667  315.604   7.0355 0.3865662 9.901224 
1 1 1    4    9   29 o  493.740   6.3628  1653.93   42.568  1635.91   59.676  1672.61   60.739  491.004   8.9688  496.475   9.0280 -5.471558 12.72569 
1 1 1    4    9   30 o  434.732   5.8638  1281.88   34.537  1264.73   48.232  1299.94   49.478  431.751   8.2437  437.713   8.3415 -5.961670 11.72765 
1 1 1    4    9   31 o  333.073   6.2320  749.198   26.332  742.463   31.963  763.424   46.454  330.848   7.1290  335.297   10.224 -4.448425 12.46394 
1 1 1    4    9   32 o  299.820   5.9733  607.225   22.754  601.978   27.661  618.207   40.015  297.909   6.8518  301.731   9.7864 -3.822571 11.94657 
1 1 1    4    9   33 o  387.332   6.7215  1021.41   33.233  1026.71   40.724  1010.84   57.498  388.984   7.7257  385.679   11.001 3.304779 13.44303 
1 1 1    4    9   34 o  205.969   5.4591  288.519   14.327  289.741   17.521  286.054   24.890  206.684   6.2558  205.254   8.9484 1.429382 10.91827 
1 1 1    4    9   35 o  251.071   4.6031  426.880   15.647  403.820   21.646  452.116   22.644  243.981   6.5469  258.162   6.4725 -14.18129 9.206233 
1 1 1    4    9   36 o  244.028   4.5624  404.074   15.084  411.208   21.265  396.850   21.401  246.200   6.3739  241.856   6.5296 4.343689 9.124786 
1 1 1    4    9   37 o  175.028   4.4098  207.809   10.455  207.010   14.572  208.657   15.010  174.684   6.1557  175.372   6.3160 -0.6875610 8.819593 
1 1 1    4    9   38 o  321.245   7.0444  700.437   30.666  700.437   30.666   0.0000   0.0000  321.245   7.0444  ?   ?       ?      ? 
1 1 1    4    9   39 o  265.530   5.6975  475.455   19.454  489.625   33.484  468.236   23.901  268.398   9.2062  262.661   6.7149 5.736816 11.39491 
1 1 1    4    9   40 o  385.653   6.7037  1006.63   33.085  1025.37   57.355  997.282   40.502  388.113   10.905  383.193   7.7997 4.919769 13.40739 
1 1 1    4    9   41 o  285.346   4.8221  552.657   18.645  543.869   26.180  561.701   26.559  283.044   6.8256  287.648   6.8134 -4.603699 9.644219 
1 1 1    4    9   42 o  314.959   4.9902  673.628   21.298  679.569   30.087  667.661   30.153  316.355   7.0181  313.564   7.0961 2.791565 9.980464 
1 1 1    4    9   43 o  222.837   4.5424  336.906   13.713  328.831   19.121  345.457   19.677  220.090   6.4112  225.583   6.4367 -5.493729 9.084873 
1 1 1    4    9   44 o  401.061   5.6383  1092.79   30.637  1072.72   42.773  1113.94   43.903  397.285   7.9449  404.836   8.0027 -7.550842 11.27669 
1 1 1    4    9   45 o  289.471   5.9198  566.503   21.985  579.997   37.963  559.693   26.968  291.887   9.5975  287.055   6.9327 4.832092 11.83951 
1 1 1    4    9   46 o  186.772   5.5595  242.117   13.351  220.684   22.244  254.187   16.693  180.069   9.1158  193.476   6.3667 -13.40688 11.11905 
1 1 1    4    9   47 o  409.430   5.7207  1139.65   31.734  1119.53   44.359  1160.73   45.419  405.735   8.0677  413.125   8.1128 -7.389496 11.44142 
1 1 1    4    9   48 o  290.094   4.8996  571.861   19.260  580.517   27.247  563.219   27.227  292.294   6.8789  287.894   6.9788 4.399628 9.799168 
1 1 1    4    9   49 o  337.284   5.1988  773.282   23.759  765.761   33.290  781.092   33.920  335.617   7.3195  338.950   7.3848 -3.332764 10.39764 
1 1 1    4    9   50 o  345.924   5.2760  813.425   24.726  799.262   34.503  828.377   35.452  342.835   7.4266  349.012   7.4959 -6.176605 10.55191 
1 1 1    4    9   51 o  354.591   5.3447  855.144   25.679  848.039   35.964  862.534   36.677  353.096   7.5161  356.085   7.6007 -2.989258 10.68940 
1 1 1    4    9   52 o  211.942   5.6976  301.322   15.274  293.672   18.423  318.138   27.316  207.870   6.5402  216.014   9.3314 -8.144058 11.39514 
1 1 1    4    9   53 o  259.453   5.8121  440.150   19.023  411.224   22.706  508.249   34.840  245.929   6.8132  272.977   9.4181 -27.04794 11.62415 
1 1 1    4    9   54 o  174.679   6.5797  207.441   15.575   0.0000   0.0000  207.441   15.575  ?   ?   174.679   6.5797      ?      ? 
1 1 1    4    9   55 o  239.746   4.7582  390.674   15.453  375.933   21.599  406.131   22.118  235.109   6.7792  244.383   6.6786 -9.273941 9.516351 
1 1 1    4    9   56 o  348.514   5.3560  826.966   25.295  824.808   35.654  829.154   35.893  348.060   7.5592  348.969   7.5899 -0.9089966 10.71203 
1 1 1    4    9   57 o  293.540   5.0148  586.425   19.948  586.706   28.120  586.141   28.302  293.615   7.0673  293.465   7.1167 0.1502686 10.02964 
1 1 1    4    9   58 o  247.629   4.8072  417.203   16.130  409.300   22.668  425.309   22.957  245.250   6.8207  250.007   6.7760 -4.757065 9.614397 
1 1 1    4    9   59 o  160.801   6.8078  176.899   14.826  172.398   21.149  181.249   20.789  158.757   9.8304  162.844   9.4205 -4.087036 13.61550 
1 1 1    4    9   60 o  206.249   5.9059  295.163   15.565  275.381   26.432  305.663   19.258  200.604   9.7231  211.894   6.7066 -11.29030 11.81174 
1 1 1    4    9   61 o   59.390   8.1558   24.588   6.4214   29.313   9.3934   20.443   8.7982   65.358   10.606   53.423   12.393 11.93534 16.31166 
1 1 1    4    9   62 o  166.358   5.7839  186.302   12.298  197.359   21.561  180.971   14.972  169.750   9.3730  162.967   6.7793 6.783020 11.56774 
1 1 1    4    9   63 o   80.933   7.5241   42.894   7.9168   52.809   13.723   37.949   9.6923   87.492   11.574   74.373   9.6168 13.11897 15.04822 
1 1 1    4    9   64 f  125.938   6.2964  106.930   10.198  103.176   12.482  114.468   17.688  122.884   7.4954  128.993   10.119 -6.108719 12.59275 
1 1 1    4    9   65 o  142.376   5.0195  138.422   9.6704  148.930   13.852  128.432   13.507  147.673   6.9220  137.078   7.2710 10.59439 10.03898 
1 1 1    4    9   66 o   90.888   7.4323   59.067   8.5817   50.904   14.361   63.600   10.703   85.483   12.397   96.294   8.2020 -10.81065 14.86453 
1 1 1    4    9   67 o  109.414   7.7995   82.743   11.538   76.579   15.731   89.921   16.976  105.018   11.054  113.810   11.007 -8.792358 15.59907 
1 1 1    4    9   68 o   97.462   6.8844   61.150   8.6501   51.909   10.451   81.246   15.412   86.759   8.8895  108.165   10.515 -21.40627 13.76889 
1 1 1    4    9   69 o  111.709   5.3475   85.655   8.0888   81.186   11.237   90.462   11.653  108.674   7.6301  114.743   7.4944 -6.069511 10.69507 
1 1 1    4    9   70 o   56.326   9.5873   24.668   7.2859   29.007   8.9664   16.234   12.500   64.493   10.259   48.159   16.199 16.33416 19.17468 
1 1 1    4    9   71 o  104.378   5.6245   75.355   7.9429   79.859   11.201   70.799   11.265  107.587   7.6830  101.170   8.2165 6.416367 11.24896 
1 1 1    4    9   72 o  220.547   4.8918  334.916   14.619  329.177   20.503  340.851   20.850  218.625   6.9204  222.470   6.9159 -3.845306 9.783699 
1 1 1    4    9   73 o   69.849   7.1183   34.331   6.7378   34.388   9.5282   34.275   9.5292   69.909   10.058   69.789   10.076 0.1198654 14.23664 
1 1 1    4    9   74 o   86.905   6.3498   52.840   7.2967   38.790   9.9648   69.081   10.714   74.147   9.9172   99.664   7.9329 -25.51671 12.69970 
1 1 1    4    9   75 o  167.398   5.9601  194.243   12.868  202.330   22.010  190.043   15.862  169.228   9.5975  165.568   7.0697 3.660736 11.92023 
1 1 1    4    9   76 o   86.692   8.0123   54.741   8.6431   52.834   15.436   55.612   10.432   84.473   13.484   88.912   8.6580 -4.439148 16.02465 
1 1 1    4    9   77 o   58.982   9.8287   25.660   7.4174   31.932   12.814   22.500   9.0964   63.646   15.087   54.318   12.602 9.327499 19.65737 
1 1 1    4    9   78 f   63.196   9.3420   30.602   7.5505   29.529   12.716   31.186   9.3837   60.710   15.426   65.682   10.543 -4.972351 18.68409 
1 1 1    4    9   79 o   60.180   9.3749   30.943   7.8725   13.606   12.422   42.579   10.177   43.412   16.009   76.949   9.7597 -33.53728 18.74975 
1 1 1    4    9   80 o  104.788   8.1568   81.300   11.523   82.800   15.645   79.522   17.034  106.345   10.856  103.231   12.177 3.113983 16.31362 
1 1 1    4    9   81 f   35.699   10.262   5.1117   8.2915   11.957   11.136  -3.4029   12.420   40.849   15.139   30.548   13.857 10.30060 20.52366 
1 1 1    4    9   82 o   56.133   11.220   26.826   9.1104   31.473   12.169   20.901   13.742   62.249   14.666   50.017   16.984 12.23255 22.44015 
1 1 1    4    9   83 o   52.421   10.593   18.503   9.1676   3.0740   11.797   42.029   14.567   33.574   14.420   71.269   15.522 -37.69439 21.18692 
1 1 1    4    9   84 o   55.718   11.645   28.188   10.036   35.106   12.748   16.913   16.274   65.250   14.762   46.185   18.013 19.06456 23.28960 
1 1 1    4    9   85 o   31.301   13.745   1.1490   11.221   1.1490   11.221   0.0000   0.0000   31.301   13.745  ?   ?       ?      ? 
1 1 1    4    9   86 o   34.662   9.9216   1.5214   8.7784   16.519   11.748 -17.4402   13.210   44.307   15.668   25.017   12.176 19.28945 19.84323 
1 1 1    4    9   87 o   50.692   11.807   22.718   9.7693   14.436   13.216   32.697   14.506   42.059   16.280   59.325   17.104 -17.26567 23.61321 
1 1 1    4    9   88 o   56.698   12.353   31.152   10.459   28.648   14.718   33.707   14.865   54.209   17.552   59.188   17.387 -4.978912 24.70571 
1 1 1    4    9   89 o   31.611   14.225   1.2195   12.786   0.0000   0.0000   1.2195   12.786  ?   ?    31.611   14.225      ?      ? 
1 1 1    4    9   90 o   29.333   9.5797  -3.7265   9.1349 -11.4801   12.838   4.2258   13.001   25.650   12.368   33.015   14.633 -7.364914 19.15947 
1 1 1    4    9   91 f   62.879   11.714   40.714   10.705   27.622   15.046   54.132   15.233   49.799   17.719   75.959   15.327 -26.15965 23.42811 
1 1 1    4   10    0 f  306.492   4.9045  636.165   20.358  619.894   28.187  653.907   29.433  302.401   6.8783  310.584   6.9932 -8.182953 9.809006 
1 1 1    4   10    1 o  780.644   9.1119  4135.84   96.392  4140.57  136.115  4131.08  136.524  781.095   12.859  780.194   12.913 0.9008179 18.22377 
1 1 1    4   10    2 o  442.570   5.9327  1327.86   35.575  1318.11   49.771  1338.04   50.867  440.912   8.3300  444.228   8.4498 -3.315979 11.86541 
1 1 1    4   10    3 o  227.322   4.4809  349.159   13.781  330.505   18.841  370.620   20.208  220.814   6.2963  233.830   6.3774 -13.01572 8.961879 
1 1 1    4   10    4 o  310.991   4.9342  655.689   20.783  683.831   29.519  628.027   29.266  317.611   6.8585  304.371   7.0955 13.24023 9.868369 
1 1 1    4   10    5 o  360.588   5.2847  880.651   25.809  857.375   35.761  905.952   37.285  355.622   7.4206  365.554   7.5265 -9.932739 10.56946 
1 1 1    4   10    6 o  812.207   9.4373  4477.54  103.865  4443.20  145.873  4512.85  147.924  809.053   13.305  815.361   13.388 -6.307495 18.87466 
1 1 1    4   10    7 o  419.710   5.7607  1193.96   32.756  1176.33   45.678  1212.62   46.998  416.524   8.0925  422.896   8.2010 -6.372162 11.52148 
1 1 1    4   10    8 o  197.573   4.4837  264.059   11.992  251.281   16.528  278.267   17.427  192.535   6.3345  202.611   6.3473 -10.07509 8.967384 
1 1 1    4   10    9 o  1018.98   11.555  7055.69  159.552  7073.14  225.735  7038.26  225.546  1020.24   16.327  1017.72   16.354 2.523560 23.10909 
1 1 1    4   10   10 o  551.035   6.9085  2059.35   51.583  2046.41   72.381  2072.70   73.531  549.280   9.7240  552.791   9.8158 -3.511169 13.81692 
1 1 1    4   10   11 o  397.587   6.4584  1066.02   29.825  1060.37   34.224  1083.86   60.811  395.505   6.3856  399.669   11.228 -4.164185 12.91676 
1 1 1    4   10   12 o  174.923   5.2076  208.438   10.515  209.343   12.060  205.572   21.472  175.747   5.0639  174.099   9.1012 1.647888 10.41512 
1 1 1    4   10   13 o  926.943   12.251  5733.13  130.990  5636.79  149.441  6052.63  272.138  911.298   12.101  942.589   21.305 -31.29156 24.50193 
1 1 1    4   10   14 o  480.159   7.2908  1577.30   41.046  1590.58   47.479  1538.01   81.663  484.352   7.2336  475.965   12.661 8.386993 14.58164 
1 1 1    4   10   15 o  555.382   8.0342  2086.40   52.038  2079.70   59.862  2107.11  105.280  553.794   7.9767  556.969   13.949 -3.175232 16.06840 
1 1 1    4   10   16 o  127.352   5.6538  114.129   8.2456  118.027   9.4998  102.222   16.604  131.958   5.3125  122.747   9.9820 9.210648 11.30759 
1 1 1    4   10   17 o  362.871   6.1769  894.569   26.180  895.992   30.173  890.237   52.659  363.551   6.1245  362.192   10.729 1.359558 12.35378 
1 1 1    4   10   18 o  852.371   11.427  4966.75  114.587  4993.76  132.691  4887.55  227.247  857.721   11.416  847.021   19.798 10.69946 22.85355 
1 1 1    4   10   19 o  290.782   6.0716  587.308   22.550  618.198   28.016  530.481   38.000  301.956   6.8468  279.608   10.029 22.34787 12.14313 
1 1 1    4   10   20 o  523.139   8.1562  1840.05   54.094  1808.15   65.496  1908.51   95.948  516.250   9.3621  530.029   13.358 -13.77936 16.31238 
1 1 1    4   10   21 o  385.615   6.7652  1004.19   33.166  995.317   40.340  1022.70   58.261  383.091   7.7705  388.139   11.077 -5.048004 13.53037 
1 1 1    4   10   22 f  427.442   6.7395  1220.06   33.404  1202.16   38.216  1278.02   68.766  421.063   6.6976  433.822   11.697 -12.75876 13.47894 
1 1 1    4   10   23 o  630.169   8.8479  2660.45   64.620  2626.40   73.948  2770.45  132.912  622.185   8.7705  638.154   15.369 -15.96875 17.69571 
1 1 1    4   10   24 o  220.263   5.2819  330.536   13.581  331.982   15.659  326.146   27.281  221.296   5.2218  219.229   9.1829 2.066818 10.56373 
1 1 1    4   10   25 o  107.082   5.8291   74.595   7.9864   68.737   9.6396   87.416   14.261  100.673   7.0659  113.491   9.2730 -12.81828 11.65824 
1 1 1    4   10   26 o  157.919   5.3900  165.936   10.820  160.163   13.082  178.437   19.251  153.685   6.2815  162.154   8.7608 -8.468887 10.78005 
1 1 1    4   10   27 o  207.725   5.5164  294.999   14.493  299.124   17.646  286.449   25.405  210.024   6.2000  205.426   9.1259 4.597595 11.03278 
1 1 1    4   10   28 o  160.853   5.5362  178.590   11.252  184.318   13.756  167.010   19.559  164.861   6.1575  156.845   9.2024 8.015793 11.07246 
1 1 1    4   10   29 o  177.116   5.4774  211.861   12.278  210.074   14.874  215.683   21.753  175.996   6.2365  178.237   9.0063 -2.241440 10.95482 
1 1 1    4   10   30 o  205.508   5.4034  285.351   14.200  282.859   17.372  290.368   24.652  204.213   6.2775  206.803   8.7965 -2.589523 10.80672 
1 1 1    4   10   31 o  295.051   4.8481  590.635   19.384  590.470   27.313  590.802   27.514  295.011   6.8319  295.091   6.8805 -0.8001709E-01 9.696229 
1 1 1    4   10   32 o  189.031   4.4438  242.063   11.374  228.752   15.784  256.440   16.404  183.631   6.3427  194.431   6.2257 -10.80025 8.887642 
1 1 1    4   10   33 o  503.070   6.4795  1719.22   44.170  1744.67   62.756  1694.24   62.180  506.762   9.1383  499.378   9.1884 7.384308 12.95901 
1 1 1    4   10   34 o  202.456   4.4828  278.125   12.297  280.119   17.303  276.091   17.481  203.191   6.2839  201.720   6.3948 1.471100 8.965595 
1 1 1    4   10   35 o  184.820   6.2653  231.771   15.692  231.771   15.692   0.0000   0.0000  184.820   6.2653  ?   ?       ?      ? 
1 1 1    4   10   36 o  417.015   5.7595  1181.26   32.547  1191.37   46.077  1171.18   45.979  418.799   8.1189  415.230   8.1713 3.569672 11.51895 
1 1 1    4   10   37 o  394.177   6.8337  1064.57   34.658  1031.23   58.664  1082.44   42.957  389.164   11.124  399.191   7.9409 -10.02686 13.66739 
1 1 1    4   10   38 f  139.226   5.6098  133.438   10.055  125.925   16.879  137.570   12.519  136.087   9.1527  142.365   6.4890 -6.277435 11.21959 
1 1 1    4   10   39 o  392.516   5.5888  1046.78   29.727  1057.88   42.141  1035.78   41.940  394.590   7.8808  390.442   7.9267 4.147949 11.17768 
1 1 1    4   10   40 o  285.224   4.8388  552.179   18.694  576.706   26.717  528.655   26.165  291.434   6.7650  279.015   6.9202 12.41904 9.677552 
1 1 1    4   10   41 o  133.115   4.6122  120.318   8.3178  120.629   11.645  119.994   11.885  133.293   6.4467  132.936   6.5976 0.3573456 9.224337 
1 1 1    4   10   42 o  217.999   5.5060  316.340   15.360  343.061   27.012  303.570   18.673  224.561   8.8763  211.437   6.5171 13.12395 11.01191 
1 1 1    4   10   43 o  150.654   5.5475  151.782   10.738  162.117   18.666  146.670   13.128  154.351   8.9241  146.956   6.5924 7.395569 11.09497 
1 1 1    4   10   44 o  320.332   5.0701  697.280   22.008  707.740   31.190  686.909   31.058  322.729   7.1317  317.935   7.2085 4.794800 10.14020 
1 1 1    4   10   45 o  471.869   6.2662  1515.36   40.064  1494.21   56.146  1537.30   57.188  468.520   8.8431  475.219   8.8803 -6.698151 12.53238 
1 1 1    4   10   46 o  275.570   4.8405  515.896   18.071  533.644   25.763  498.709   25.353  280.241   6.7840  270.899   6.9063 9.342407 9.680943 
1 1 1    4   10   47 o  187.065   4.5480  237.778   11.527  241.019   16.229  234.477   16.376  188.357   6.3580  185.772   6.5048 2.585251 9.096015 
1 1 1    4   10   48 o   87.005   5.7381   51.397   6.7542   49.512   9.2344   53.566   9.9046   85.299   7.9888   88.710   8.2391 -3.411057 11.47621 
1 1 1    4   10   49 o  160.226   5.6738  172.747   11.539  169.167   13.978  180.405   20.447  157.772   6.5378  162.681   9.2748 -4.909073 11.34750 
1 1 1    4   10   50 o  130.197   4.8701  114.951   8.5735  104.685   11.823  126.336   12.450  124.073   7.0320  136.321   6.7397 -12.24797 9.740276 
1 1 1    4   10   51 o  292.788   6.1106  588.471   22.829  597.275   28.041  571.166   39.312  296.349   6.9825  289.228   10.030 7.120483 12.22111 
1 1 1    4   10   52 f  195.684   5.6979  257.862   14.189  252.434   17.228  269.310   25.017  192.684   6.5978  198.684   9.2915 -5.999924 11.39573 
1 1 1    4   10   53 o  245.265   4.7993  409.054   15.947  422.674   22.719  395.828   22.389  249.296   6.7251  241.233   6.8488 8.063477 9.598577 
1 1 1    4   10   54 f  350.176   5.3638  834.971   25.453  837.317   35.967  832.618   36.026  350.673   7.5687  349.680   7.6025 0.9930420 10.72769 
1 1 1    4   10   55 o  138.515   5.9505  126.953   10.703  118.133   13.160  144.189   18.396  131.720   7.3725  145.310   9.3424 -13.58934 11.90101 
1 1 1    4   10   56 o   72.867   8.0143   34.432   7.5755   43.366   13.236   30.080   9.2382   79.436   12.296   66.298   10.283 13.13726 16.02857 
1 1 1    4   10   57 o   93.274   5.7763   59.429   7.2905   56.664   10.416   62.083   10.207   91.124   8.4353   95.424   7.8936 -4.299644 11.55259 
1 1 1    4   10   58 o  161.859   5.9593  180.206   12.176  175.117   21.407  182.639   14.804  159.929   9.8776  163.790   6.6698 -3.860931 11.91856 
1 1 1    4   10   59 o  147.453   6.8566  148.119   13.701   0.0000   0.0000  148.119   13.701  ?   ?   147.453   6.8566      ?      ? 
1 1 1    4   10   60 o  128.345   6.1891  110.844   10.174  118.307   17.788  107.216   12.404  131.317   9.9958  125.373   7.3009 5.943909 12.37812 
1 1 1    4   10   61 o  150.107   4.8857  153.777   9.9257  144.591   14.013  163.027   14.061  145.577   7.1033  154.637   6.7100 -9.059967 9.771436 
1 1 1    4   10   62 o  171.710   4.7854  201.147   11.134  196.553   15.678  205.820   15.814  169.724   6.8165  173.696   6.7183 -3.972137 9.570807 
1 1 1    4   10   63 o  100.648   5.6426   69.359   7.6760   62.869   10.723   76.179   10.993   95.782   8.2615  105.515   7.6880 -9.732536 11.28528 
1 1 1    4   10   64 o   48.197   9.0041   16.779   6.0392   13.338   8.5501   20.205   8.5313   43.513   13.283   52.881   12.159 -9.367733 18.00812 
1 1 1    4   10   65 o  124.415   6.3107  104.239   10.095   99.459   12.325  113.980   17.594  120.460   7.5504  128.371   10.114 -7.911018 12.62142 
1 1 1    4   10   66 o  121.538   5.2490  101.316   8.6381  106.843   12.311   95.957   12.123  124.832   7.2776  118.245   7.5659 6.586609 10.49791 
1 1 1    4   10   67 o  184.766   4.8146  233.948   12.045  221.323   16.897  246.991   17.175  179.658   6.9404  189.874   6.6748 -10.21683 9.629214 
1 1 1    4   10   68 o   92.554   5.9200   59.157   7.4216   61.626   10.568   56.754   10.425   94.484   8.2537   90.623   8.4890 3.860802 11.84005 
1 1 1    4   10   69 o   79.538   7.4695   41.548   7.7616   34.269   9.5487   55.722   13.325   70.039   10.061   89.037   11.044 -18.99841 14.93905 
1 1 1    4   10   70 o  123.985   7.3209  107.955   12.299  107.087   17.489  108.805   17.298  123.449   10.454  124.521   10.251 -1.072380 14.64174 
1 1 1    4   10   71 o   64.994   10.400   31.966   9.5439   16.822   13.408   47.519   13.588   48.524   16.767   81.463   12.309 -32.93875 20.80029 
1 1 1    4   10   72 o  162.295   6.0339  179.853   12.579  171.718   15.353  196.466   21.939  157.520   7.1922  167.069   9.6904 -9.548904 12.06775 
1 1 1    4   10   73 o   70.555   8.8413   34.825   7.9039   42.951   13.742   30.807   9.6621   75.420   13.960   65.691   10.854 9.728653 17.68268 
1 1 1    4   10   74 o  121.913   6.9585  111.520   10.547   87.737   17.715  124.581   13.128  109.972   11.887  133.855   7.2373 -23.88237 13.91704 
1 1 1    4   10   75 o   62.432   11.745   29.128   9.5724   0.0000   0.0000   29.128   9.5724  ?   ?    62.432   11.745      ?      ? 
1 1 1    4   10   76 f   97.788   7.1220   69.171   8.9482   66.895   15.086   70.407   11.114   95.608   11.644   99.969   8.2043 -4.361008 14.24390 
1 1 1    4   10   77 o   70.349   9.0753   39.205   7.8704   32.103   13.242   43.084   9.7864   63.053   15.586   77.645   9.3010 -14.59198 18.15057 
1 1 1    4   10   78 o   31.735   9.7366  -2.0615   8.1690 -10.4877   11.090   7.9332   12.078   25.436   12.050   38.033   15.297 -12.59776 19.47314 
1 1 1    4   10   79 o  124.628   7.9401  113.158   13.045   82.123   17.512  151.857   19.555  104.570   12.358  144.686   9.9734 -40.11558 15.88026 
1 1 1    4   10   80 f   59.447   11.442   29.870   9.5055   32.383   12.860   26.843   14.113   62.828   15.257   56.065   17.055 6.763500 22.88315 
1 1 1    4   10   81 o   96.468   8.9431   70.126   11.619   61.601   15.520   80.998   17.526   89.784   12.756  103.152   12.538 -13.36807 17.88617 
1 1 1    4   10   82 o   31.790   10.022  -1.8378   8.7376  -6.7290   11.486   4.8809   13.462   27.376   12.742   36.205   15.473 -8.828953 20.04439 
1 1 1    4   10   83 o   71.212   10.542   40.801   10.464   19.602   13.864   68.864   15.951   47.902   17.012   94.522   12.453 -46.61971 21.08310 
1 1 1    4   10   84 o   57.490   16.242   29.121   13.212   29.121   13.212   0.0000   0.0000   57.490   16.242  ?   ?       ?      ? 
1 1 1    4   10   85 o   59.787   15.748   31.493   12.936   31.493   12.936   0.0000   0.0000   59.787   15.748  ?   ?       ?      ? 
1 1 1    4   10   86 o   40.322   11.276   12.271   9.2238   7.9013   12.608   17.304   13.530   36.373   15.232   44.271   16.632 -7.897526 22.55262 
1 1 1    4   10   87 o   34.997   10.513   4.7614   9.0905  -3.5678   12.477   14.185   13.271   29.014   13.427   40.980   16.181 -11.96530 21.02665 
1 1 1    4   10   88 o   40.971   10.274   7.9128   9.4194 -14.4992   13.164   31.428   13.484   25.133   12.214   56.809   16.523 -31.67658 20.54731 
1 1 1    4   10   89 o   58.934   17.564   36.453   15.081   0.0000   0.0000   36.453   15.081  ?   ?    58.934   17.564      ?      ? 
1 1 1    4   10   90 o   33.488   10.442   5.0452   9.5673   13.058   13.581  -2.8484   13.480   37.954   15.844   29.023   13.605 8.930912 20.88353 
1 1 1    4   11    0 o  241.683   4.6411  395.992   15.194  395.960   21.193  396.027   21.795  241.675   6.4712  241.691   6.6546 -0.1644897E-01 9.282193 
1 1 1    4   11    1 o  506.599   6.5309  1740.53   44.828  1723.93   62.712  1757.87   64.103  504.133   9.1795  509.065   9.2923 -4.931763 13.06180 
1 1 1    4   11    2 o  551.461   6.9367  2062.36   51.827  2120.72   74.063  2006.37   72.549  559.105   9.7752  543.818   9.8445 15.28693 13.87332 
1 1 1    4   11    3 o  269.859   4.7835  492.516   17.470  469.540   23.974  518.531   25.510  263.166   6.7224  276.553   6.8070 -13.38657 9.566942 
1 1 1    4   11    4 o  433.038   5.9172  1271.76   34.721  1269.74   48.815  1273.82   49.396  432.693   8.3252  433.384   8.4108 -0.6910706 11.83430 
1 1 1    4   11    5 o  674.476   9.9344  3093.59   85.751  3081.33  147.838  3099.81  105.268  673.172   16.206  675.779   11.495 -2.607300 19.86885 
1 1 1    4   11    6 o  259.350   5.8889  463.037   19.631  433.941   33.007  478.961   24.419  252.910   9.6308  265.790   6.7796 -12.88023 11.77776 
1 1 1    4   11    7 o  349.381   6.4284  820.285   28.702  851.148   50.129  805.232   35.008  354.161   10.445  344.601   7.4967 9.560303 12.85682 
1 1 1    4   11    8 o  554.450   8.4983  2033.39   59.375  2232.17  107.891  1947.03   71.112  573.200   13.890  535.700   9.7957 37.50031 16.99661 
1 1 1    4   11    9 o  942.851   13.244  6072.77  160.064  5991.60  274.317  6114.68  197.097  937.296   21.597  948.406   15.336 -11.10968 26.48795 
1 1 1    4   11   10 o  436.106   7.3191  1308.87   41.227  1228.51   68.629  1354.24   51.569  425.378   11.906  446.835   8.5165 -21.45639 14.63810 
1 1 1    4   11   11 o  133.991   5.8594  119.175   10.268  131.458   17.265  112.454   12.772  139.204   9.1526  128.778   7.3185 10.42581 11.71883 
1 1 1    4   11   12 o  363.149   10.903  895.153   53.657   0.0000   0.0000  895.153   53.657  ?   ?   363.149   10.903      ?      ? 
1 1 1    4   11   13 o  431.406   8.3275  1263.81   48.676  1293.62   68.951  1234.20   68.725  436.487   11.657  426.326   11.896 10.16119 16.65509 
1 1 1    4   11   14 o  201.694   6.4089  276.196   17.494  280.306   24.233  271.723   25.281  203.270   8.7973  200.118   9.3222 3.151627 12.81776 
1 1 1    4   11   15 o  198.802   6.4155  266.993   17.246  248.772   23.499  288.263   25.389  191.483   9.0562  206.121   9.0895 -14.63788 12.83094 
1 1 1    4   11   16 o  325.470   6.2622  711.834   25.777  699.892   31.145  737.803   45.928  321.254   7.1541  329.686   10.280 -8.432159 12.52446 
1 1 1    4   11   17 o  372.156   6.6713  943.247   31.547  949.578   38.501  930.312   55.031  374.167   7.5932  370.145   10.971 4.022125 13.34256 
1 1 1    4   11   18 o  333.362   6.3077  751.925   26.670  747.956   32.396  760.274   46.980  332.087   7.1986  334.638   10.360 -2.550476 12.61547 
1 1 1    4   11   19 o  220.366   5.5731  325.436   15.528  318.573   18.737  340.482   27.744  216.749   6.3791  223.984   9.1403 -7.235550 11.14625 
1 1 1    4   11   20 o  313.223   10.129  666.148   42.995   0.0000   0.0000  666.148   42.995  ?   ?   313.223   10.129      ?      ? 
1 1 1    4   11   21 o  335.741   6.3159  754.458   26.785  736.478   32.274  794.245   48.009  329.503   7.2280  341.979   10.360 -12.47641 12.63189 
1 1 1    4   11   22 o  253.744   5.7423  429.789   18.389  417.916   22.121  456.336   33.079  248.231   6.5762  259.257   9.4154 -11.02647 11.48460 
1 1 1    4   11   23 o  377.937   6.3374  955.454   27.757  942.563   31.756  997.183   57.135  372.799   6.2859  383.076   11.006 -10.27719 12.67471 
1 1 1    4   11   24 o  163.237   5.2684  180.672   11.654  180.672   11.654   0.0000   0.0000  163.237   5.2684  ?   ?       ?      ? 
1 1 1    4   11   25 o  341.553   6.0097  791.198   27.816  791.198   27.816   0.0000   0.0000  341.553   6.0097  ?   ?       ?      ? 
1 1 1    4   11   26 o  186.555   5.3284  239.344   11.566  242.431   13.345  230.023   23.186  189.083   5.2080  184.028   9.2976 5.055359 10.65684 
1 1 1    4   11   27 o  330.635   6.3257  745.513   26.592  751.374   32.484  733.607   46.300  332.750   7.2039  328.520   10.400 4.230591 12.65143 
1 1 1    4   11   28 o  313.505   5.8177  660.103   21.210  653.346   24.325  681.536   43.323  310.362   5.7836  316.649   10.096 -6.286682 11.63537 
1 1 1    4   11   29 f  290.067   4.8484  570.839   19.054  564.040   26.638  577.962   27.267  288.301   6.8184  291.833   6.8947 -3.531250 9.696747 
1 1 1    4   11   30 o  325.949   5.0714  721.093   22.400  715.759   31.478  726.564   31.881  324.730   7.1532  327.169   7.1908 -2.438660 10.14283 
1 1 1    4   11   31 o  289.258   4.8478  567.416   18.991  596.248   27.260  540.226   26.472  296.397   6.7868  282.119   6.9242 14.27753 9.695582 
1 1 1    4   11   32 o  161.486   4.4698  176.938   9.7806  173.912   13.745  180.041   13.921  160.087   6.3358  162.884   6.3067 -2.797379 8.939579 
1 1 1    4   11   33 o   92.564   5.3702   58.090   6.7024   66.495   9.7075   50.434   9.2651   98.961   7.2387   86.166   7.9347 12.79437 10.74047 
1 1 1    4   11   34 f  167.963   5.4144  194.863   11.697  180.972   19.584  202.567   14.585  163.161   8.8574  172.764   6.2296 -9.603561 10.82876 
1 1 1    4   11   35 o  269.357   5.7134  480.780   19.688  529.667   34.758  457.687   23.890  279.075   9.1908  259.638   6.7898 19.43671 11.42686 
1 1 1    4   11   36 o  358.265   5.3224  871.178   25.829  842.142   35.916  902.278   37.171  352.088   7.5276  364.442   7.5265 -12.35425 10.64489 
1 1 1    4   11   37 o  147.253   4.6089  147.159   9.1915  140.157   12.866  154.458   13.136  143.673   6.6080  150.834   6.4267 -7.160645 9.217821 
1 1 1    4   11   38 o  379.874   6.7355  978.210   32.660  994.208   56.872  970.338   39.895  381.896   10.989  377.853   7.7913 4.043854 13.47110 
1 1 1    4   11   39 o  290.783   6.0175  570.825   22.308  587.682   39.063  562.666   27.176  293.763   9.8127  287.802   6.9679 5.960266 12.03494 
1 1 1    4   11   40 o  230.282   4.6144  360.157   14.398  367.886   20.414  352.507   20.310  232.745   6.4725  227.819   6.5787 4.925430 9.228889 
1 1 1    4   11   41 o  263.823   4.7521  472.815   16.988  481.622   24.098  464.115   23.952  266.269   6.6784  261.376   6.7623 4.892517 9.504182 
1 1 1    4   11   42 o  159.313   4.5641  172.412   9.8529  174.418   13.920  170.398   13.948  160.245   6.4102  158.382   6.4988 1.862915 9.128215 
1 1 1    4   11   43 o  188.087   4.5709  240.441   11.641  252.049   16.481  228.885   16.445  192.630   6.3136  183.543   6.6115 9.087189 9.141882 
1 1 1    4   11   44 o  255.926   4.7492  445.120   16.467  457.205   23.346  433.153   23.231  259.391   6.6415  252.460   6.7904 6.931274 9.498377 
1 1 1    4   11   45 o  134.648   5.8582  123.179   10.044  122.722   12.252  124.114   17.538  134.375   6.7282  134.921   9.5920 -0.5461121 11.71640 
1 1 1    4   11   46 o   83.059   7.9598   51.208   7.8060   57.104   9.5477   39.322   13.556   91.612   7.6906   74.507   13.939 17.10513 15.91967 
1 1 1    4   11   47 o  188.878   4.6040  242.475   11.784  244.011   16.677  240.944   16.654  189.477   6.4949  188.279   6.5272 1.197266 9.208083 
1 1 1    4   11   48 o  188.866   4.6336  242.484   11.859  243.416   16.763  241.550   16.779  189.230   6.5369  188.501   6.5687 0.7294922 9.267104 
1 1 1    4   11   49 o  210.513   4.6618  301.190   13.292  315.385   18.985  287.543   18.615  215.386   6.5044  205.640   6.6799 9.745682 9.323561 
1 1 1    4   11   50 o  125.312   6.3805  110.733   10.146  118.701   12.608   96.089   17.093  132.089   7.0436  118.535   10.641 13.55367 12.76103 
1 1 1    4   11   51 o  301.264   7.2288  617.049   29.428  562.331   40.031  681.388   43.408  286.791   10.300  315.737   10.145 -28.94571 14.45756 
1 1 1    4   11   52 o  444.659   6.1276  1348.63   36.923  1350.44   52.294  1346.83   52.140  444.954   8.6727  444.365   8.6587 0.5898132 12.25515 
1 1 1    4   11   53 o  275.525   4.9468  516.716   18.469  511.444   26.103  522.001   26.136  274.112   7.0272  276.938   6.9643 -2.825745 9.893530 
1 1 1    4   11   54 o  122.285   5.2179  101.630   8.6087  115.573   12.490   89.011   11.882  130.283   7.0742  114.286   7.6722 15.99657 10.43588 
1 1 1    4   11   55 o  189.940   4.7470  245.688   12.205  231.234   17.187  260.389   17.334  184.280   6.8826  195.599   6.5395 -11.31967 9.493935 
1 1 1    4   11   56 o  126.847   6.3633  111.770   10.128  105.225   17.848  114.878   12.300  123.838   10.635  129.855   6.9896 -6.017181 12.72658 
1 1 1    4   11   57 o  131.714   7.0521  118.254   12.587   0.0000   0.0000  118.254   12.587  ?   ?   131.714   7.0521      ?      ? 
1 1 1    4   11   58 o   70.323   9.3144   37.424   7.8291   28.863   14.062   41.270   9.4251   63.009   16.333   77.637   8.9585 -14.62791 18.62885 
1 1 1    4   11   59 o  187.895   4.7740  240.879   12.141  226.478   17.103  255.510   17.239  182.199   6.9270  193.591   6.5711 -11.39244 9.547922 
1 1 1    4   11   60 o  254.409   4.8975  441.802   16.883  433.615   23.736  450.184   24.019  252.017   6.9501  256.801   6.9020 -4.783203 9.794977 
1 1 1    4   11   61 o   62.291   7.9243   27.295   6.5159   31.399   9.3837   23.473   9.0549   67.462   10.264   57.120   12.076 10.34290 15.84868 
1 1 1    4   11   62 o  194.403   5.7984  258.351   14.506  256.181   17.876  262.536   24.824  193.592   6.8141  195.214   9.3836 -1.622040 11.59677 
1 1 1    4   11   63 o  129.337   5.2158  114.700   9.1363  111.191   12.993  118.132   12.850  127.349   7.5286  131.325   7.2206 -3.976357 10.43158 
1 1 1    4   11   64 o   66.199   7.5044   30.801   6.5222   36.529   9.5026   25.699   8.9680   72.647   9.6526   59.751   11.493 12.89578 15.00872 
1 1 1    4   11   65 o   83.643   6.3050   48.979   7.0284   39.493   10.041   58.091   9.8411   75.422   9.8244   91.864   7.9053 -16.44151 12.61000 
1 1 1    4   11   66 o   59.270   8.1441   25.923   6.3285   16.676   9.0372   34.820   8.8649   47.701   13.418   70.839   9.2345 -23.13889 16.28828 
1 1 1    4   11   67 o   74.263   6.6562   38.411   6.6959   37.937   9.5652   38.866   9.3765   73.781   9.5668   74.745   9.2572 -0.9633255 13.31236 
1 1 1    4   11   68 o   39.264   9.1534   10.466   5.8460   14.379   8.1723   6.3650   8.3661   44.274   12.859   34.254   13.030 10.01992 18.30673 
1 1 1    4   11   69 o   79.818   8.3799   48.665   8.0893   54.804   10.125   37.828   13.451   88.751   8.4184   70.885   14.492 17.86652 16.75985 
1 1 1    4   11   70 o   68.349   7.4623   33.667   6.6955   29.052   9.4788   38.264   9.4589   62.914   11.543   73.785   9.4600 -10.87086 14.92451 
1 1 1    4   11   71 o  128.552   6.4973  118.621   10.561  109.280   18.156  123.398   12.983  123.719   10.829  133.385   7.1826 -9.666084 12.99461 
1 1 1    4   11   72 o   88.937   7.3205   52.531   8.4172   70.476   14.893   44.109   10.203   98.972   11.104   78.902   9.5425 20.07037 14.64108 
1 1 1    4   11   73 o  103.840   7.1792   80.938   9.3309   65.327   15.599   89.635   11.644   94.430   12.190  113.249   7.5870 -18.81937 14.35833 
1 1 1    4   11   74 o   81.826   9.1959   47.629   10.197   0.0000   0.0000   47.629   10.197  ?   ?    81.826   9.1959      ?      ? 
1 1 1    4   11   75 o   48.910   16.673   18.928   13.243   0.0000   0.0000   18.928   13.243  ?   ?    48.910   16.673      ?      ? 
1 1 1    4   11   76 o   66.929   10.822   35.982   9.6015   32.625   13.179   39.779   14.016   63.409   15.474   70.450   15.133 -7.041252 21.64380 
1 1 1    4   11   77 o   41.764   10.916   12.080   8.5325   17.702   11.703   5.7010   12.467   47.065   15.673   36.462   15.197 10.60257 21.83102 
1 1 1    4   11   78 o   58.803   11.463   27.984   9.4661   21.290   12.360   37.480   14.721   50.709   16.050   66.898   16.372 -16.18977 22.92687 
1 1 1    4   11   79 o   63.068   11.403   33.829   9.7226   35.480   12.578   31.378   15.324   66.275   14.416   59.861   17.673 6.413616 22.80660 
1 1 1    4   11   80 f   42.631   11.425   13.263   8.9038   11.360   11.420   16.212   14.218   39.952   15.217   45.310   17.044 -5.357620 22.84900 
1 1 1    4   11   81 o   86.425   9.6489   57.985   10.851   45.408   14.373   74.652   16.546   74.297   14.796   98.552   12.389 -24.25426 19.29772 
1 1 1    4   11   82 o   85.632   9.5894   57.775   10.791   48.791   14.405   69.263   16.290   77.115   14.311   94.148   12.768 -17.03217 19.17888 
1 1 1    4   11   83 o   46.866   10.991   14.833   9.2150   1.5194   11.918   34.626   14.531   31.927   14.087   61.805   16.876 -29.87809 21.98250 
1 1 1    4   11   84 o   48.079   16.237   20.948   12.559   20.948   12.559   0.0000   0.0000   48.079   16.237  ?   ?       ?      ? 
1 1 1    4   11   85 o   83.657   10.175   59.473   11.205   51.904   15.614   67.513   16.091   76.429   15.603   90.885   13.065 -14.45618 20.35065 
1 1 1    4   11   86 o   31.167   9.8548   0.8044   8.6751   6.3282   12.398  -4.4947   12.143   34.342   14.767   27.992   13.053 6.349909 19.70952 
1 1 1    4   11   87 o   34.996   10.342   5.4794   8.9993   17.491   12.787  -6.3092   12.668   42.606   16.132   27.386   12.946 15.22084 20.68451 
1 1 1    4   11   88 o   41.001   11.073   13.478   9.9807  -2.5853   14.145   29.404   14.085   29.829   13.968   52.172   17.186 -22.34324 22.14623 
1 1 1    4   12    0 o  373.982   7.7959  950.702   39.464  979.664   55.074  920.137   56.577  379.865   10.699  368.098   11.342 11.76706 15.59183 
1 1 1    4   12    1 o  1065.34   17.155  7765.38  247.583  7617.24  344.872  7922.91  355.648  1054.93   24.124  1075.76   24.396 -20.83521 34.30968 
1 1 1    4   12    2 o  395.826   6.9638  1082.41   35.410  1126.93   44.109  1001.71   59.388  407.593   7.9858  384.059   11.411 23.53476 13.92767 
1 1 1    4   12    3 o  262.102   4.8210  466.263   17.105  489.724   24.134  442.583   24.246  268.738   6.6270  255.465   7.0037 13.27347 9.642067 
1 1 1    4   12    4 o  288.054   4.9306  562.682   19.238  561.870   26.790  563.545   27.642  287.844   6.8680  288.265   7.0762 -0.4212341 9.861127 
1 1 1    4   12    5 o  443.881   7.3034  1325.24   41.576  1375.69   72.095  1300.10   50.890  450.017   11.822  437.744   8.5789 12.27353 14.60676 
1 1 1    4   12    6 o  364.752   6.5776  902.641   30.972  903.801   52.516  902.023   38.352  364.842   10.622  364.661   7.7610 0.1810608 13.15521 
1 1 1    4   12    7 o  434.983   7.2393  1279.76   40.444  1299.65   69.558  1269.59   49.710  437.392   11.735  432.574   8.4801 4.818298 14.47860 
1 1 1    4   12    8 o  179.393   5.4997  215.505   12.914  228.933   21.511  207.939   16.147  183.681   8.6420  175.105   6.8047 8.576584 10.99947 
1 1 1    4   12    9 o  403.695   5.7085  1105.73   31.225  1110.37   43.842  1100.96   44.482  404.560   7.9969  402.832   8.1485 1.727997 11.41700 
1 1 1    4   12   10 o  386.774   5.5799  1014.97   29.242  1036.16   41.380  993.832   41.329  390.812   7.8134  382.737   7.9683 8.074615 11.15987 
1 1 1    4   12   11 o  320.802   5.1253  698.323   22.273  715.265   31.368  681.096   31.631  324.733   7.1283  316.871   7.3662 7.862610 10.25053 
1 1 1    4   12   12 o   41.347   9.5110   11.252   5.5034   11.999   6.2126   8.5305   11.861   41.299   10.930   41.395   15.568 -0.9509659E-01 19.02202 
1 1 1    4   12   13 o  245.296   5.4869  403.696   15.437  399.783   17.593  416.786   32.176  242.827   5.3465  247.764   9.5834 -4.936218 10.97387 
1 1 1    4   12   14 o  236.954   5.5560  391.527   15.153  401.527   17.455  360.946   30.525  243.355   5.2930  230.552   9.7704 12.80360 11.11199 
1 1 1    4   12   15 o  117.635   5.7813   90.521   7.8502   87.615   8.9271  100.431   16.488  113.669   5.7954  121.602   10.005 -7.933716 11.56263 
1 1 1    4   12   16 o  319.463   5.9103  683.621   21.792  675.557   24.895  710.058   45.075  315.626   5.8204  323.299   10.288 -7.672760 11.82059 
1 1 1    4   12   17 o  275.948   5.6626  516.496   18.082  516.217   20.739  517.378   36.929  275.911   5.5466  275.985   9.8741 -0.7406616E-01 11.32529 
1 1 1    4   12   18 o  301.554   5.7036  616.682   23.308  616.682   23.308   0.0000   0.0000  301.554   5.7036  ?   ?       ?      ? 
1 1 1    4   12   19 o  266.577   5.4927  481.906   19.842  481.906   19.842   0.0000   0.0000  266.577   5.4927  ?   ?       ?      ? 
1 1 1    4   12   20 o  324.465   5.8837  714.042   25.870  714.042   25.870   0.0000   0.0000  324.465   5.8837  ?   ?       ?      ? 
1 1 1    4   12   21 o   97.749   6.2566   64.720   7.1306   64.553   8.2032   65.236   14.423   97.550   6.2055   97.948   10.866 -0.3976288 12.51327 
1 1 1    4   12   22 o  278.074   5.6700  531.192   18.374  537.302   21.209  512.807   36.788  281.463   5.5605  274.684   9.8831 6.779114 11.33998 
1 1 1    4   12   23 o  241.971   5.4594  394.390   15.338  391.511   17.590  403.523   31.333  240.263   5.4025  243.678   9.4885 -3.415085 10.91871 
1 1 1    4   12   24 o  430.975   6.9391  1288.03   35.169  1314.98   40.882  1211.32   68.973  440.184   6.8536  421.766   12.068 18.41754 13.87814 
1 1 1    4   12   25 o  242.279   5.4390  387.148   15.253  377.096   17.391  420.658   31.751  235.787   5.4427  248.772   9.4184 -12.98492 10.87794 
1 1 1    4   12   26 o  461.914   7.1482  1419.43   38.100  1391.58   43.445  1512.17   79.282  452.764   7.0808  471.064   12.420 -18.29965 14.29648 
1 1 1    4   12   27 o  332.237   6.0520  747.395   23.363  744.916   26.830  755.174   47.520  331.342   5.9753  333.132   10.526 -1.789886 12.10400 
1 1 1    4   12   28 o  120.315   6.0861   96.394   9.3075   92.869   11.249  104.046   16.573  116.955   7.0976  123.675   9.8887 -6.720116 12.17225 
1 1 1    4   12   29 o  206.834   5.6904  292.723   14.961  296.744   18.299  284.618   25.979  209.091   6.4583  204.577   9.3708 4.513962 11.38080 
1 1 1    4   12   30 o  236.075   5.7450  381.070   17.327  385.936   21.294  371.534   29.809  238.435   6.5904  233.714   9.4120 4.720917 11.48991 
1 1 1    4   12   31 o  224.822   5.7460  345.083   16.481  348.256   20.208  338.777   28.484  226.488   6.5840  223.156   9.4190 3.333038 11.49203 
1 1 1    4   12   32 o  138.616   5.4931  129.996   9.0085  129.406   10.435  131.723   17.848  138.096   5.5762  139.135   9.4658 -1.039276 10.98620 
1 1 1    4   12   33 f  103.402   5.1268   72.596   7.1820   74.775   10.286   70.523   10.032  104.916   7.2349  101.889   7.2659 3.027214 10.25357 
1 1 1    4   12   34 o   62.899   14.811   28.183   12.415   28.183   12.415   0.0000   0.0000   62.899   14.811  ?   ?       ?      ? 
1 1 1    4   12   35 o   70.383   8.1185   32.654   6.9536   38.722   13.002   30.223   8.2294   74.126   13.439   66.640   9.1128 7.485847 16.23696 
1 1 1    4   12   36 o  186.507   4.5324  235.964   11.439  254.001   16.456  219.096   15.913  193.405   6.2787  179.609   6.5381 13.79643 9.064757 
1 1 1    4   12   37 o  198.861   6.4325  268.588   17.335   0.0000   0.0000  268.588   17.335  ?   ?   198.861   6.4325      ?      ? 
1 1 1    4   12   38 o  183.170   4.5412  227.865   11.270  221.512   15.846  234.368   16.031  180.583   6.4754  185.757   6.3686 -5.173965 9.082424 
1 1 1    4   12   39 o  172.666   4.5636  202.437   10.672  212.063   15.260  193.219   14.932  176.688   6.3732  168.645   6.5336 8.043686 9.127163 
1 1 1    4   12   40 o  183.331   4.5768  228.262   11.355  212.068   15.873  245.232   16.249  176.663   6.6303  190.000   6.3110 -13.33719 9.153645 
1 1 1    4   12   41 o  226.245   5.7034  351.009   16.502  356.609   20.320  340.160   28.282  229.085   6.5457  223.406   9.3418 5.677963 11.40676 
1 1 1    4   12   42 o   88.696   6.7600   50.683   7.7935   43.962   9.5247   64.299   13.557   80.336   8.7490   97.056   10.307 -16.72043 13.51991 
1 1 1    4   12   43 o  169.258   4.6637  194.623   10.693  187.337   14.951  202.252   15.299  166.013   6.6459  172.504   6.5447 -6.490738 9.327433 
1 1 1    4   12   44 o  279.969   4.9339  532.944   18.715  547.423   26.639  518.833   26.299  283.730   6.9284  276.208   7.0263 7.522675 9.867703 
1 1 1    4   12   45 o  227.969   4.7141  353.194   14.559  364.686   20.812  342.180   20.375  231.603   6.6312  224.334   6.7021 7.268524 9.428177 
1 1 1    4   12   46 o   89.173   7.1640   49.706   8.2810   37.395   10.137   74.404   14.358   73.987   10.110  104.360   10.153 -30.37257 14.32809 
1 1 1    4   12   47 o  138.161   7.1483  130.456   13.248  107.096   18.324  156.042   19.177  125.116   10.807  151.206   9.3591 -26.08995 14.29658 
1 1 1    4   12   48 o  210.881   5.7850  300.400   15.583  295.234   19.008  310.990   27.214  208.335   6.7326  213.427   9.4094 -5.092346 11.56995 
1 1 1    4   12   49 o  180.565   5.8106  222.876   13.388  224.141   16.405  220.355   23.164  181.519   6.6693  179.611   9.5171 1.908249 11.62129 
1 1 1    4   12   50 o  182.359   4.7130  226.239   11.646  230.827   16.550  221.740   16.390  184.194   6.6306  180.525   6.6997 3.669464 9.426036 
1 1 1    4   12   51 o   74.353   6.7138   37.672   6.7515   41.099   9.8383   34.622   9.2820   77.548   9.3619   71.158   9.6257 6.390007 13.42757 
1 1 1    4   12   52 o   68.577   7.1518   32.175   6.6322   32.659   9.7303   31.755   9.0639   69.037   10.401   68.117   9.8193 0.9204865 14.30356 
1 1 1    4   12   53 o  174.615   5.7883  198.076   12.804  236.466   23.396  181.663   15.298  185.922   9.2861  163.307   6.9126 22.61562 11.57652 
1 1 1    4   12   54 o  279.552   5.0716  533.068   19.202  516.500   27.295  549.300   27.018  275.215   7.3187  283.890   7.0229 -8.675720 10.14317 
1 1 1    4   12   55 o  335.471   6.5529  775.599   28.081  756.987   48.290  785.108   34.517  331.779   10.741  339.163   7.5101 -7.384216 13.10581 
1 1 1    4   12   56 o  178.838   5.9122  217.797   13.384  221.790   23.684  215.924   16.222  179.729   9.7243  177.948   6.7271 1.780762 11.82439 
1 1 1    4   12   57 o  164.560   4.9230  185.144   10.919  161.467   15.288  209.803   15.602  153.734   7.3383  175.385   6.5644 -21.65059 9.845914 
1 1 1    4   12   58 o  116.856   5.3462   93.470   8.4569   92.077   12.193   94.761   11.740  115.987   7.7575  117.725   7.3587 -1.737473 10.69248 
1 1 1    4   12   59 o  112.529   6.4741   85.800   9.4813   82.537   11.762   91.854   16.020  109.738   7.9096  115.320   10.252 -5.582176 12.94818 
1 1 1    4   12   60 o  177.429   4.8478  215.329   11.655  212.226   16.442  218.463   16.524  176.136   6.8887  178.721   6.8227 -2.585754 9.695515 
1 1 1    4   12   61 o  130.817   5.0939  117.423   9.0196  112.450   12.866  122.228   12.648  128.046   7.4146  133.588   6.9867 -5.541367 10.18779 
1 1 1    4   12   62 o  157.473   4.8843  170.204   10.407  160.586   14.792  179.632   14.644  153.001   7.1342  161.944   6.6729 -8.943497 9.768530 
1 1 1    4   12   63 o  101.015   5.6988   70.844   7.7341   61.242   11.054   80.054   10.825   94.125   8.6660  107.904   7.4032 -13.77915 11.39765 
1 1 1    4   12   64 o   80.120   6.3448   44.326   6.8690   49.242   10.074   40.055   9.3901   84.284   8.8205   75.956   9.1227 8.327255 12.68958 
1 1 1    4   12   65 o   76.466   6.4631   40.582   6.6870   43.692   9.7372   37.806   9.1993   79.248   9.0670   73.685   9.2128 5.562210 12.92618 
1 1 1    4   12   66 o  140.827   5.0042  137.178   9.5182  125.984   13.572  148.014   13.352  135.035   7.4168  146.620   6.7202 -11.58482 10.00846 
1 1 1    4   12   67 o   88.961   6.0261   54.897   7.2323   62.647   10.590   48.124   9.9006   94.900   8.2349   83.022   8.8001 11.87762 12.05223 
1 1 1    4   12   68 o   76.215   9.7722   42.632   9.7706   54.415   14.622   33.126   13.133   86.773   12.435   65.658   15.078 21.11561 19.54438 
1 1 1    4   12   69 o   86.581   7.5941   53.160   8.2292   54.575   14.817   52.528   9.8957   86.552   12.633   86.610   8.4313 -0.5786133E-01 15.18813 
1 1 1    4   12   70 f   52.261   9.3199   22.867   7.0575   9.8273   12.475   29.005   8.5590   40.682   15.798   63.841   9.8933 -23.15832 18.63975 
1 1 1    4   12   71 o   57.299   9.7401   24.116   7.1843   30.576   12.366   20.825   8.8266   62.377   14.844   52.221   12.614 10.15535 19.48025 
1 1 1    4   12   72 f  110.086   6.7195   88.547   9.5043   79.306   15.661   93.935   11.958  104.425   11.067  115.746   7.6238 -11.32157 13.43897 
1 1 1    4   12   73 o   46.393   16.145   16.601   12.441   0.0000   0.0000   16.601   12.441  ?   ?    46.393   16.145      ?      ? 
1 1 1    4   12   74 o   55.253   16.206   25.176   12.924   0.0000   0.0000   25.176   12.924  ?   ?    55.253   16.206      ?      ? 
1 1 1    4   12   75 o   52.972   11.327   22.674   8.9449   17.126   12.074   29.422   13.317   46.452   15.919   59.492   16.118 -13.04058 22.65406 
1 1 1    4   12   76 o   56.320   11.120   25.496   9.1297   16.550   12.218   36.808   13.738   45.678   15.993   66.961   15.454 -21.28329 22.23966 
1 1 1    4   12   77 o   28.786   9.3144  -5.1888   7.9810  -8.7904   10.264   0.3197   12.693   24.790   11.699   32.782   14.497 -7.991051 18.62885 
1 1 1    4   12   78 o   47.022   11.195   16.435   8.7667   8.5259   11.425   27.758   13.670   37.387   14.934   56.656   16.682 -19.26898 22.38992 
1 1 1    4   12   79 o   39.796   10.992   10.123   8.5562   5.8934   11.128   16.241   13.383   34.773   14.414   44.818   16.599 -10.04473 21.98384 
1 1 1    4   12   80 o   82.421   10.133   52.693   10.626   29.174   13.700   88.205   16.834   57.298   16.652  107.545   11.551 -50.24749 20.26578 
1 1 1    4   12   81 o   43.686   10.350   9.0246   8.7483  -6.5817   11.238   33.023   13.936   26.700   12.486   60.671   16.510 -33.97079 20.69996 
1 1 1    4   12   82 o   56.281   11.757   29.053   9.5679   26.703   12.955   31.875   14.192   54.021   16.320   58.540   16.929 -4.519840 23.51439 
1 1 1    4   12   83 o   32.859   14.368   3.6482   12.149   3.6482   12.149   0.0000   0.0000   32.859   14.368  ?   ?       ?      ? 
1 1 1    4   12   84 f   25.654   12.227  -8.9467   11.766  -8.9467   11.766   0.0000   0.0000   25.654   12.227  ?   ?       ?      ? 
1 1 1    4   12   85 f   37.703   11.034   11.319   9.2225   13.173   13.111   9.5032   12.975   39.073   15.859   36.333   15.346 2.739677 22.06790 
1 1 1    4   12   86 o   46.517   11.967   23.138   9.7916   21.705   14.012   24.505   13.689   45.146   16.932   47.888   16.915 -2.741356 23.93398 
1 1 1    4   13    0 o  320.242   5.1564  695.307   22.357  684.231   30.864  707.535   32.428  317.568   7.1719  322.916   7.4106 -5.348297 10.31275 
1 1 1    4   13    1 o  310.913   5.0975  653.870   21.439  623.521   29.263  689.030   31.498  303.154   7.1232  318.672   7.2938 -15.51746 10.19508 
1 1 1    4   13    2 o  515.223   6.6709  1802.69   46.568  1796.03   65.225  1809.62   66.509  514.261   9.3594  516.185   9.5081 -1.923584 13.34173 
1 1 1    4   13    3 o  109.992   5.4110   81.778   8.0361   78.558   10.832   85.720   11.985  107.598   7.4288  112.385   7.8694 -4.787231 10.82194 
1 1 1    4   13    4 o  236.547   4.7583  379.842   15.237  385.888   21.166  373.340   21.951  238.510   6.5487  234.585   6.9052 3.924866 9.516656 
1 1 1    4   13    5 o  486.367   6.4511  1606.44   42.518  1620.68   60.120  1592.21   60.138  488.526   9.0813  484.207   9.1651 4.319855 12.90228 
1 1 1    4   13    6 o  465.287   8.7851  1471.76   55.356  1438.33   76.621  1508.27   80.063  459.784   12.297  470.790   12.549 -11.00534 17.57021 
1 1 1    4   13    7 o  334.320   6.4733  770.045   27.587  792.786   33.982  726.088   47.246  341.803   7.3365  326.837   10.667 14.96649 12.94655 
1 1 1    4   13    8 o  176.169   4.7829  211.224   11.377  220.630   15.663  200.721   16.551  180.345   6.4090  171.992   7.1014 8.352188 9.565815 
1 1 1    4   13    9 o  508.191   8.1643  1759.61   52.689  1765.23   64.219  1748.03   92.158  509.779   9.2961  506.603   13.424 3.175995 16.32855 
1 1 1    4   13   10 o  214.590   5.9067  315.096   15.834  319.059   19.075  306.311   28.399  216.865   6.4906  212.315   9.8707 4.549896 11.81343 
1 1 1    4   13   11 o  140.324   6.7261  133.601   12.790  133.601   12.790   0.0000   0.0000  140.324   6.7261  ?   ?       ?      ? 
1 1 1    4   13   12 o  593.438   10.391  2394.18   83.561  2394.18   83.561   0.0000   0.0000  593.438   10.391  ?   ?       ?      ? 
1 1 1    4   13   13 o  272.293   6.8052  503.115   25.111  503.115   25.111   0.0000   0.0000  272.293   6.8052  ?   ?       ?      ? 
1 1 1    4   13   14 o  146.928   6.0992  149.359   11.068  153.502   13.273  139.903   20.051  150.411   6.5117  143.445   10.315 6.966599 12.19843 
1 1 1    4   13   15 o  105.720   6.8742   78.419   8.9391   82.184   10.752   69.992   16.085  110.037   7.2108  101.403   11.706 8.633636 13.74831 
1 1 1    4   13   16 o  239.083   5.8586  382.666   17.591  373.778   21.095  402.951   31.869  234.693   6.6329  243.473   9.6592 -8.779907 11.71729 
1 1 1    4   13   17 o  138.881   6.2656  137.641   10.733  148.901   13.070  114.324   18.809  148.131   6.5108  129.631   10.707 18.49989 12.53114 
1 1 1    4   13   18 o  318.342   6.3504  687.357   25.562  684.999   30.981  692.386   45.242  317.656   7.1971  319.028   10.465 -1.371765 12.70071 
1 1 1    4   13   19 o  157.795   6.0299  176.963   11.888  191.998   14.633  147.767   20.391  168.203   6.4195  147.387   10.209 20.81606 12.05978 
1 1 1    4   13   20 o  457.338   7.5751  1405.07   43.730  1373.90   52.689  1474.09   78.395  449.645   8.6471  465.031   12.440 -15.38635 15.15020 
1 1 1    4   13   21 o  226.148   5.8580  355.443   16.758  371.129   20.582  324.589   28.866  233.840   6.4951  218.456   9.7508 15.38406 11.71596 
1 1 1    4   13   22 o  200.067   5.4143  265.682   12.444  260.401   14.160  283.593   26.080  195.925   5.3334  204.210   9.4241 -8.284348 10.82863 
1 1 1    4   13   23 o  228.963   5.4710  352.371   14.497  348.973   16.592  363.338   29.809  226.803   5.3983  231.122   9.5176 -4.318726 10.94196 
1 1 1    4   13   24 o  144.683   5.6002  143.324   9.3921  144.364   10.802  140.104   19.012  145.870   5.4648  143.495   9.7769 2.375412 11.20047 
1 1 1    4   13   25 o  388.737   6.5256  1020.47   29.448  1013.58   33.776  1042.31   60.128  386.404   6.4503  391.070   11.346 -4.666168 13.05127 
1 1 1    4   13   26 o  126.326   5.8892  111.104   8.5252  113.518   9.7926  103.548   17.327  129.341   5.5870  123.310   10.369 6.030762 11.77833 
1 1 1    4   13   27 o  233.502   5.4863  367.570   14.846  364.866   17.011  376.211   30.409  231.890   5.4133  235.115   9.5443 -3.225372 10.97257 
1 1 1    4   13   28 o  151.889   5.2984  144.566   9.4627  133.608   10.766  181.787   19.842  140.311   5.6620  163.467   8.9572 -23.15668 10.59672 
1 1 1    4   13   29 o  240.947   5.8740  390.383   18.031  382.163   21.914  407.610   31.725  237.205   6.8174  244.689   9.5676 -7.484253 11.74802 
1 1 1    4   13   30 o   98.816   6.8975   65.313   8.8386   62.588   10.903   70.536   15.095   95.929   8.3873  101.702   10.953 -5.773598 13.79510 
1 1 1    4   13   31 o  277.746   5.7904  528.631   18.799  532.603   21.711  516.735   37.578  280.111   5.7196  275.382   10.070 4.729126 11.58077 
1 1 1    4   13   32 o  568.881   8.3492  2209.21   55.534  2208.06   64.031  2212.67  111.562  569.733   8.2934  568.030   14.493 1.702942 16.69831 
1 1 1    4   13   33 o  170.147   5.5251  197.844   11.103  198.874   12.883  194.871   21.895  171.165   5.5541  169.130   9.5529 2.035034 11.05013 
1 1 1    4   13   34 o  133.288   5.4712  114.985   8.7816  108.672   10.160  133.627   17.460  126.507   5.9266  140.069   9.1985 -13.56230 10.94247 
1 1 1    4   13   35 o  158.238   5.4098  167.665   10.171  164.905   11.776  175.772   20.183  155.851   5.5759  160.625   9.2722 -4.773361 10.81962 
1 1 1    4   13   36 o  224.694   5.4955  340.026   14.460  336.696   16.643  350.281   29.207  222.694   5.5149  226.695   9.5074 -4.001038 10.99110 
1 1 1    4   13   37 o  171.696   5.5727  196.728   12.283  189.008   14.987  212.529   21.441  166.768   6.6314  176.624   8.9580 -9.855072 11.14542 
1 1 1    4   13   38 o  210.506   5.6821  305.429   15.349  314.018   19.031  289.442   25.964  214.956   6.5332  206.056   9.2985 8.899445 11.36418 
1 1 1    4   13   39 f  198.827   4.6289  268.675   12.469  276.132   17.717  261.355   17.553  201.566   6.4862  196.087   6.6057 5.478470 9.257793 
1 1 1    4   13   40 o  200.032   4.6561  271.843   12.614  284.896   18.056  259.400   17.630  204.727   6.5084  195.337   6.6601 9.390244 9.312181 
1 1 1    4   13   41 o   85.811   6.0466   50.062   7.0183   54.568   10.171   45.967   9.6968   89.498   8.3861   82.124   8.7132 7.373566 12.09323 
1 1 1    4   13   42 f  132.959   7.1931  119.991   12.757   93.079   17.305  152.028   18.881  116.647   10.947  149.271   9.3338 -32.62370 14.38616 
1 1 1    4   13   43 o  106.101   5.6680   75.978   8.0848   90.894   12.025   63.672   10.922  115.541   7.6800   96.662   8.3380 18.87913 11.33599 
1 1 1    4   13   44 o  327.131   5.2441  728.228   23.240  755.193   33.189  702.286   32.553  333.084   7.3528  321.179   7.4793 11.90475 10.48826 
1 1 1    4   13   45 o  190.892   5.7778  241.061   14.058  227.929   16.978  269.707   25.076  183.032   6.8449  198.752   9.3103 -15.72046 11.55568 
1 1 1    4   13   46 o  243.482   5.9058  399.071   18.283  389.586   22.170  419.239   32.328  239.273   6.8372  247.690   9.6315 -8.417389 11.81156 
1 1 1    4   13   47 o  129.507   4.9971  114.125   8.7673  117.016   12.583  111.397   12.223  131.099   7.0826  127.915   7.0512 3.183746 9.994122 
1 1 1    4   13   48 o  115.038   5.2110   90.078   8.1194   92.804   11.715   87.557   11.263  116.709   7.4074  113.368   7.3314 3.340904 10.42203 
1 1 1    4   13   49 o  119.391   6.5444   97.110   9.7314   98.388   17.716   96.558   11.646  119.738   10.918  119.044   7.2190 0.6944733 13.08889 
1 1 1    4   13   50 o   82.000   7.9817   45.469   8.0848   48.075   15.074   44.417   9.5793   83.389   13.339   80.611   8.7691 2.777496 15.96332 
1 1 1    4   13   51 o  198.049   4.8018  267.038   12.881  274.678   18.575  259.961   17.877  200.770   6.8274  195.329   6.7539 5.440720 9.603574 
1 1 1    4   13   52 o   69.683   7.1452   33.210   6.7335   35.855   9.8926   30.926   9.1912   72.258   10.103   67.107   10.107 5.150146 14.29045 
1 1 1    4   13   53 o  169.009   5.9230  197.968   12.738  188.080   21.914  203.015   15.655  165.477   9.7722  172.542   6.6954 -7.064636 11.84591 
1 1 1    4   13   54 o   77.339   8.5328   43.398   8.0252   38.371   13.895   45.914   9.8306   72.861   14.582   81.818   8.8664 -8.957260 17.06565 
1 1 1    4   13   55 o   65.009   7.6710   29.885   6.5439   26.525   9.4893   32.932   9.0363   60.845   11.935   69.172   9.6400 -8.327198 15.34198 
1 1 1    4   13   56 o   99.947   6.7940   68.719   8.8789   68.374   11.170   69.312   14.634   99.826   8.2569  100.067   10.791 -0.2414932 13.58793 
1 1 1    4   13   57 o  219.086   4.8691  328.347   14.456  327.734   20.492  328.955   20.395  218.876   6.9088  219.297   6.8630 -0.4212952 9.738220 
1 1 1    4   13   58 o  140.478   5.0622  135.560   9.6017  122.552   13.594  148.511   13.564  133.658   7.5052  147.298   6.7952 -13.64001 10.12439 
1 1 1    4   13   59 o   79.570   6.3737   43.651   6.8650   45.784   9.9983   41.749   9.4428   81.396   9.0644   77.744   8.9630 3.652481 12.74748 
1 1 1    4   13   60 o   93.088   5.8011   59.628   7.3089   62.538   10.663   57.049   10.038   95.214   8.2638   90.962   8.1437 4.251678 11.60216 
1 1 1    4   13   61 o   46.710   8.9702   15.602   5.8727   20.177   8.8322   11.976   7.8627   52.379   12.597   41.041   12.774 11.33850 17.94040 
1 1 1    4   13   62 o  130.694   5.0502  117.707   8.9364  114.689   12.798  120.580   12.484  129.004   7.3205  132.383   6.9590 -3.379013 10.10036 
1 1 1    4   13   63 o   40.903   8.2721   10.765   5.7764  -0.2623   8.2402   21.419   8.0997   27.722   11.980   54.084   11.410 -26.36218 16.54411 
1 1 1    4   13   64 o   96.073   5.7598   64.290   7.4779   60.289   10.730   68.069   10.427   93.050   8.5093   99.096   7.7649 -6.045319 11.51960 
1 1 1    4   13   65 o  118.637   6.8453  104.128   10.026   85.309   17.329  113.597   12.293  109.126   11.718  128.149   7.0788 -19.02357 13.69057 
1 1 1    4   13   66 o   34.053   10.068   3.1854   7.8023   1.1935   11.464   4.9043   10.649   33.092   14.214   35.013   14.262 -1.921009 20.13556 
1 1 1    4   13   67 o   36.648   10.174   5.2161   7.6901   13.265   11.611  -1.0747   10.264   43.480   15.555   29.817   13.118 13.66264 20.34818 
1 1 1    4   13   68 o   62.315   9.5077   28.885   7.4583   32.617   12.902   27.011   9.1404   64.483   15.040   60.147   11.635 4.335949 19.01535 
1 1 1    4   13   69 o   61.316   9.4003   28.858   7.3779   27.423   12.614   29.604   9.0961   58.536   15.614   64.096   10.472 -5.560543 18.80065 
1 1 1    4   13   70 o   68.969   10.589   37.451   9.6133   32.399   13.100   43.346   14.152   63.571   15.374   74.367   14.564 -10.79586 21.17713 
1 1 1    4   13   71 o   74.351   9.9780   42.629   9.7746   32.926   13.333   53.902   14.372   63.738   15.570   84.964   12.482 -21.22599 19.95596 
1 1 1    4   13   72 o   53.089   16.717   23.395   13.423   0.0000   0.0000   23.395   13.423  ?   ?    53.089   16.717      ?      ? 
1 1 1    4   13   73 o   45.859   16.440   16.463   12.975   0.0000   0.0000   16.463   12.975  ?   ?    45.859   16.440      ?      ? 
1 1 1    4   13   74 o   53.656   11.172   24.495   8.9653   29.698   11.894   17.649   13.642   60.423   14.673   46.889   16.852 13.53378 22.34465 
1 1 1    4   13   75 o   39.568   10.579   10.388   8.3057   16.514   10.927   2.0042   12.783   45.270   15.146   33.865   14.775 11.40458 21.15891 
1 1 1    4   13   76 o   51.596   11.186   22.863   8.9334   28.697   12.013   15.643   13.362   58.689   15.036   44.503   16.566 14.18566 22.37231 
1 1 1    4   13   77 f   39.026   10.826   10.422   8.2719   10.025   10.842   10.976   12.796   38.090   14.745   39.962   15.854 -1.872349 21.65101 
1 1 1    4   13   78 o   29.405   9.3231  -1.3217   7.7917   2.2506   10.124  -6.5119   12.203   30.747   13.283   28.063   13.086 2.684559 18.64618 
1 1 1    4   13   79 o   38.705   10.959   9.9989   8.6703   6.8257   11.399   14.354   13.355   35.151   14.581   42.260   16.363 -7.109188 21.91728 
1 1 1    4   13   80 o   46.928   11.701   20.132   9.3869   22.899   12.610   16.694   14.058   50.021   16.250   43.835   16.839 6.185406 23.40131 
1 1 1    4   13   81 o   40.801   10.793   9.3732   9.2052  -4.4802   12.236   27.440   13.973   28.377   13.189   53.226   17.088 -24.84917 21.58612 
1 1 1    4   13   82 o   57.314   11.701   30.841   10.055   19.668   13.355   45.461   15.278   45.204   16.610   69.424   16.485 -24.22069 23.40207 
1 1 1    4   13   83 o   39.336   15.716   13.677   12.658   13.677   12.658   0.0000   0.0000   39.336   15.716  ?   ?       ?      ? 
1 1 1    4   13   84 o   47.374   11.023   20.935   9.5486   5.7248   13.141   37.946   13.898   33.321   14.743   61.428   16.391 -28.10725 22.04581 
1 1 1    4   14    0 o  158.032   4.8644  169.326   10.370  167.632   13.982  171.397   15.461  157.167   6.5649  158.897   7.1800 -1.730820 9.728835 
1 1 1    4   14    1 o   71.517   8.0270   31.134   7.1573   23.332   8.5268   49.743   13.168   57.555   11.336   85.480   11.368 -27.92490 16.05390 
1 1 1    4   14    2 o  272.731   6.0275  501.563   20.725  495.173   24.996  515.615   37.069  270.103   6.8291  275.358   9.9340 -5.255371 12.05490 
1 1 1    4   14    3 o  548.410   8.5888  2058.42   60.118  2077.57   73.754  2020.50  103.779  552.741   9.8465  544.080   14.075 8.660767 17.17765 
1 1 1    4   14    4 o  278.159   6.0712  521.311   21.319  513.803   25.733  537.739   38.067  275.128   6.9021  281.191   9.9899 -6.062164 12.14238 
1 1 1    4   14    5 o  108.927   5.6573   79.646   8.2875   73.328   10.930   88.193   12.712  103.912   7.7618  113.942   8.2325 -10.03049 11.31457 
1 1 1    4   14    6 o  363.608   5.5051  898.069   27.114  904.652   37.874  891.149   38.834  364.988   7.6574  362.227   7.9114 2.761383 11.01027 
1 1 1    4   14    7 o  449.724   6.1603  1374.08   37.533  1421.10   53.495  1328.50   52.673  457.312   8.6321  442.137   8.7912 15.17468 12.32064 
1 1 1    4   14    8 o  277.682   4.9880  521.961   18.737  498.717   25.590  548.824   27.510  271.043   6.9670  284.320   7.1400 -13.27664 9.975904 
1 1 1    4   14    9 o  465.808   6.2859  1472.23   39.636  1422.18   54.523  1528.32   57.720  457.442   8.7956  474.174   8.9827 -16.73227 12.57183 
1 1 1    4   14   10 o  300.475   5.1205  613.262   20.836  620.159   29.046  605.951   29.906  302.229   7.0921  298.721   7.3878 3.507904 10.24097 
1 1 1    4   14   11 o  229.601   5.7997  353.743   17.388  374.493   29.105  342.227   21.683  234.695   9.1514  224.507   7.1271 10.18762 11.59934 
1 1 1    4   14   12 o  161.397   6.6588  176.825   14.564  176.825   14.564   0.0000   0.0000  161.397   6.6588  ?   ?       ?      ? 
1 1 1    4   14   13 o  365.010   6.5541  939.190   27.856  973.674   32.367  840.693   54.702  378.760   6.3059  351.260   11.492 27.49979 13.10826 
1 1 1    4   14   14 o  276.290   5.8070  514.076   18.315  510.134   20.844  527.429   38.363  274.202   5.6097  278.379   10.169 -4.177032 11.61405 
1 1 1    4   14   15 o   77.245   9.2389   53.169   7.0895   61.599   8.0646   24.498   14.873   95.266   6.2469   59.225   17.390 36.04041 18.47775 
1 1 1    4   14   16 o  203.285   5.5341  278.327   12.814  276.280   14.570  285.314   26.921  201.800   5.3278  204.770   9.7016 -2.969788 11.06825 
1 1 1    4   14   17 o  232.193   5.5767  360.240   14.786  355.132   16.804  377.760   31.123  228.783   5.4201  235.604   9.7479 -6.820175 11.15346 
1 1 1    4   14   18 o  262.592   5.7127  467.798   17.225  467.043   19.683  470.269   35.597  262.354   5.5364  262.830   9.9944 -0.4760437 11.42535 
1 1 1    4   14   19 o  215.639   5.6157  328.163   13.964  340.103   16.151  292.803   27.794  223.888   5.3233  207.389   9.8898 16.49893 11.23141 
1 1 1    4   14   20 o  234.356   5.6045  380.957   15.159  388.235   17.455  358.625   30.576  239.199   5.3849  229.512   9.8309 9.686508 11.20909 
1 1 1    4   14   21 o   83.612   7.0624   48.040   6.7267   48.413   7.6793   46.810   13.944   84.432   6.7117   82.793   12.428 1.638649 14.12481 
1 1 1    4   14   22 o  102.234   6.2805   72.893   7.4250   74.627   8.5690   67.667   14.875  104.848   6.0309   99.619   11.019 5.229408 12.56107 
1 1 1    4   14   23 o  115.319   6.2014   94.748   8.1717   98.822   9.4320   82.483   16.364  120.660   5.7684  109.978   10.980 10.68193 12.40286 
1 1 1    4   14   24 o  115.363   6.2890   85.145   9.2661   75.603   11.114  106.900   16.782  105.456   7.7771  125.271   9.8856 -19.81450 12.57803 
1 1 1    4   14   25 o  192.618   5.7832  249.075   14.137  243.247   17.112  261.610   25.094  189.235   6.6728  196.001   9.4477 -6.765671 11.56649 
1 1 1    4   14   26 o  117.935   5.9549   91.930   8.1967   89.436   9.3810   99.980   16.853  114.768   6.0318  121.103   10.269 -6.334824 11.90984 
1 1 1    4   14   27 o  151.355   5.5432  154.292   9.8016  152.855   11.269  158.758   19.863  150.060   5.5418  152.650   9.6019 -2.590134 11.08636 
1 1 1    4   14   28 o   98.214   6.5408   65.762   7.3878   65.817   8.4541   65.586   15.197   98.437   6.3376   97.991   11.444 0.4457092 13.08167 
1 1 1    4   14   29 o  115.199   6.0680   88.337   8.1131   86.525   9.2747   94.240   16.743  112.873   6.0636  117.524   10.513 -4.651169 12.13601 
1 1 1    4   14   30 o  135.613   5.8188  124.287   9.1381  123.484   10.471  126.852   18.719  134.855   5.7295  136.372   10.129 -1.517654 11.63750 
1 1 1    4   14   31 o  263.283   5.7359  468.367   17.506  465.249   20.066  478.300   35.814  261.759   5.6570  264.807   9.9801 -3.048279 11.47190 
1 1 1    4   14   32 o  169.654   5.6109  195.445   12.900  195.445   12.900   0.0000   0.0000  169.654   5.6109  ?   ?       ?      ? 
1 1 1    4   14   33 o  240.570   5.5813  393.001   18.195  393.001   18.195   0.0000   0.0000  240.570   5.5813  ?   ?       ?      ? 
1 1 1    4   14   34 o  131.562   6.0239  112.148   9.1298  107.344   10.351  128.979   19.374  125.698   6.0769  137.427   10.403 -11.72935 12.04789 
1 1 1    4   14   35 o  179.996   5.5689  221.172   11.763  221.809   13.596  219.277   23.457  180.722   5.5514  179.269   9.6556 1.452850 11.13770 
1 1 1    4   14   36 f  179.222   5.5096  210.794   11.639  203.191   13.360  234.730   23.704  172.954   5.7004  185.490   9.4301 -12.53618 11.01911 
1 1 1    4   14   37 f  225.575   6.8088  346.652   20.779  336.505   28.423  358.301   30.454  222.067   9.4449  229.083   9.8100 -7.015442 13.61769 
1 1 1    4   14   38 f   85.267   8.8765   50.084   10.215   54.164   14.272   45.798   14.627   88.901   11.847   81.633   13.222 7.267311 17.75295 
1 1 1    4   14   39 o  121.157   6.2646   99.108   9.0283   98.026   10.475  102.234   17.806  120.071   6.4375  122.242   10.749 -2.171112 12.52915 
1 1 1    4   14   40 o  115.829   6.0854   84.255   8.5075   76.601   9.7965  107.735   17.158  106.113   6.8127  125.545   10.085 -19.43142 12.17078 
1 1 1    4   14   41 o  132.349   6.2544  118.263   10.441  116.142   12.585  122.944   18.699  130.629   7.1096  134.069   10.292 -3.439987 12.50886 
1 1 1    4   14   42 o  132.247   6.2552  119.228   10.495  118.978   12.765  119.751   18.435  132.201   7.1255  132.294   10.283 -0.9326172E-01 12.51047 
1 1 1    4   14   43 o   63.258   9.5023   31.273   7.7107   38.248   9.5605   18.292   13.042   74.810   9.4305   51.705   16.500 23.10521 19.00459 
1 1 1    4   14   44 o  141.758   4.9418  137.071   9.4745  132.074   13.676  141.682   13.138  139.243   7.2477  144.273   6.7200 -5.029648 9.883681 
1 1 1    4   14   45 o  132.157   6.4689  121.729   10.505  113.770   19.163  125.148   12.561  128.749   10.983  135.565   6.8374 -6.816315 12.93772 
1 1 1    4   14   46 o  139.017   6.2295  127.112   10.833  145.089   20.102  119.756   12.859  145.475   10.197  132.559   7.1585 12.91550 12.45896 
1 1 1    4   14   47 o  201.171   4.8085  275.663   13.103  278.489   18.849  273.020   18.227  202.155   6.8806  200.187   6.7190 1.968323 9.617050 
1 1 1    4   14   48 o  106.177   5.5968   76.607   8.0319   83.585   11.862   70.699   10.915  110.619   7.9130  101.735   7.9170 8.884026 11.19353 
1 1 1    4   14   49 o   67.357   8.1399   34.283   6.8347   18.147   9.9461   48.719   9.4079   50.318   14.049   84.396   8.2259 -34.07837 16.27989 
1 1 1    4   14   50 o   58.813   8.6312   24.524   6.6316   28.288   9.9664   21.534   8.8836   62.913   12.130   54.713   12.283 8.199726 17.26249 
1 1 1    4   14   51 o  242.553   5.8789  380.768   18.072  466.763   33.131  344.346   21.562  260.593   9.3820  224.513   7.0869 36.07985 11.75781 
1 1 1    4   14   52 o  143.128   7.0099  141.949   13.507  124.756   19.236  158.672   18.971  134.368   10.564  151.888   9.2171 -17.52031 14.01975 
1 1 1    4   14   53 f  198.344   5.8808  274.297   15.075  285.107   18.910  255.450   24.969  204.213   6.8333  192.476   9.5730 11.73688 11.76161 
1 1 1    4   14   54 o   54.199   8.6179   21.489   6.3995   13.989   9.3082   28.212   8.8127   44.561   13.903   63.837   10.187 -19.27541 17.23583 
1 1 1    4   14   55 o  144.639   7.1048  143.381   13.926  143.381   13.926   0.0000   0.0000  144.639   7.1048  ?   ?       ?      ? 
1 1 1    4   14   56 o   80.348   6.3798   44.697   6.9294   43.425   10.069   45.842   9.5505   79.195   9.3824   81.500   8.6474 -2.304710 12.75963 
1 1 1    4   14   57 o  125.646   5.1797  108.843   8.7915  102.637   12.694  114.564   12.188  122.107   7.6714  129.186   6.9618 -7.078850 10.35945 
1 1 1    4   14   58 o   44.130   9.3335   14.087   6.0066   14.501   8.7621   13.719   8.2503   44.717   13.402   43.543   12.994 1.173950 18.66703 
1 1 1    4   14   59 o   83.657   6.2247   48.634   7.0471   47.974   10.192   49.239   9.7550   83.053   9.0554   84.260   8.5432 -1.207031 12.44936 
1 1 1    4   14   60 o  107.435   5.4751   79.406   7.9464   88.356   11.716   71.782   10.814  113.036   7.6486  101.834   7.8362 11.20228 10.95025 
1 1 1    4   14   61 o   75.562   9.4264   49.810   8.1030   25.288   14.432   61.099   9.7922   57.222   17.211   93.901   7.6953 -36.67870 18.85288 
1 1 1    4   14   62 o   46.791   9.1160   8.1626   6.6249   35.013   12.749  -1.7698   7.7540   67.995   14.290   25.587   11.323 42.40744 18.23200 
1 1 1    4   14   63 o   39.398   10.201   9.1924   6.6083   13.326   12.217   7.4825   7.8570   44.074   15.933   34.722   12.743 9.352264 20.40220 
1 1 1    4   14   64 o   82.978   7.6614   48.743   8.2298   51.432   13.982   47.318   10.180   84.066   12.273   81.889   9.1738 2.176430 15.32275 
1 1 1    4   14   65 o   91.053   8.4738   60.332   10.444   56.976   14.394   64.063   15.177   88.365   12.020   93.741   11.947 -5.375511 16.94767 
1 1 1    4   14   66 o   60.533   9.6566   28.229   7.4881   28.539   12.545   28.057   9.3330   59.880   15.379   61.186   11.682 -1.305840 19.31311 
1 1 1    4   14   67 o   84.145   9.4426   53.768   10.258   68.618   14.889   40.349   14.154   96.908   11.338   71.383   15.103 25.52530 18.88524 
1 1 1    4   14   68 o  129.516   7.4844  121.129   13.019  100.951   17.759  144.577   19.144  117.435   11.159  141.598   9.9769 -24.16278 14.96875 
1 1 1    4   14   69 o   28.490   9.1403  -4.2364   7.6938  -7.6957   10.592  -0.3718   11.195   25.996   12.145   30.983   13.663 -4.986618 18.28065 
1 1 1    4   14   70 o   69.188   10.750   38.572   9.8601   30.092   13.495   48.282   14.441   60.106   16.201   78.269   14.136 -18.16389 21.50092 
1 1 1    4   14   71 o   72.822   14.949   42.860   14.258   0.0000   0.0000   42.860   14.258  ?   ?    72.822   14.949      ?      ? 
1 1 1    4   14   72 o   58.829   16.440   29.442   13.614   0.0000   0.0000   29.442   13.614  ?   ?    58.829   16.440      ?      ? 
1 1 1    4   14   73 o   44.845   11.153   16.168   8.6364   19.997   11.491   11.197   13.093   49.014   15.471   40.677   16.069 8.336792 22.30592 
1 1 1    4   14   74 o   42.749   10.834   14.259   8.3684   19.444   11.115   7.4740   12.715   48.216   15.216   37.282   15.427 10.93411 21.66813 
1 1 1    4   14   75 o   44.319   9.8289   14.104   8.3590   28.875   11.212  -4.3797   12.542   59.059   14.187   29.579   13.607 29.48047 19.65773 
1 1 1    4   14   76 o   36.157   10.421   7.5584   8.2700   11.498   10.949   2.3248   12.620   39.133   14.901   33.180   14.573 5.952637 20.84276 
1 1 1    4   14   77 o   46.857   11.484   19.441   8.8501   18.383   11.827   20.787   13.342   45.802   15.752   47.912   16.716 -2.110527 22.96874 
1 1 1    4   14   78 o   44.682   11.435   17.091   9.0365   11.550   12.100   24.076   13.588   38.876   15.419   50.489   16.889 -11.61320 22.86907 
1 1 1    4   14   79 o   30.500   9.6823   0.3018   8.4437   3.9322   11.306  -4.2764   12.697   32.158   13.965   28.842   13.415 3.315811 19.36451 
1 1 1    4   14   80 o   38.383   10.764   11.596   8.7765   17.772   11.948   4.3558   12.935   43.512   15.753   33.253   14.674 10.25882 21.52831 
1 1 1    4   14   81 o   43.664   11.487   17.736   9.4618   9.5588   12.749   27.762   14.117   36.020   15.212   51.309   17.215 -15.28902 22.97320 
1 1 1    4   14   82 o   27.019   12.758  -5.0526   12.237  -5.0526   12.237   0.0000   0.0000   27.019   12.758  ?   ?       ?      ? 
1 1 1    4   15    0 o  331.566   6.5804  757.614   28.183  715.143   46.970  781.507   35.229  323.991   10.698  339.141   7.6655 -15.14963 13.16083 
1 1 1    4   15    1 o  341.220   6.6298  795.830   29.210  780.231   49.228  804.306   36.288  338.405   10.735  344.035   7.7835 -5.630676 13.25965 
1 1 1    4   15    2 o  333.176   5.3341  754.220   24.064  754.576   33.371  753.833   34.732  333.276   7.3889  333.075   7.6950 0.2011108 10.66812 
1 1 1    4   15    3 o  144.065   4.9818  141.334   9.6791  145.186   13.167  136.806   14.277  146.225   6.6448  141.905   7.4243 4.320328 9.963646 
1 1 1    4   15    4 o  109.849   5.5253   83.259   8.0967   92.755   10.973   71.909   11.996  116.865   6.9288  102.833   8.6087 14.03230 11.05067 
1 1 1    4   15    5 o  337.707   5.3469  773.256   24.431  746.926   33.436  803.415   35.785  331.568   7.4415  343.847   7.6799 -12.27927 10.69379 
1 1 1    4   15    6 o  228.903   4.8502  356.420   15.017  368.091   20.842  343.818   21.658  232.826   6.6056  224.981   7.1037 7.845398 9.700359 
1 1 1    4   15    7 f  157.034   4.9326  166.585   10.459  157.249   14.085  178.062   15.617  152.163   6.8307  161.905   7.1178 -9.741302 9.865167 
1 1 1    4   15    8 o  225.834   4.8212  346.721   14.737  355.348   20.516  337.524   21.184  228.755   6.6181  222.913   7.0127 5.841019 9.642488 
1 1 1    4   15    9 o  240.431   4.8758  391.181   15.850  371.724   21.549  414.118   23.396  233.949   6.7971  246.913   6.9923 -12.96379 9.751530 
1 1 1    4   15   10 o  331.509   5.3013  746.909   23.802  750.142   33.155  743.471   34.192  332.266   7.3635  330.751   7.6285 1.514618 10.60257 
1 1 1    4   15   11 o   99.162   5.8929   65.586   7.8279   53.823   10.348   81.326   11.969   88.954   8.5840  109.369   8.0760 -20.41473 11.78589 
1 1 1    4   15   12 o  236.258   4.8942  377.639   15.616  361.853   21.066  396.891   23.264  230.816   6.7350  241.699   7.1028 -10.88391 9.788305 
1 1 1    4   15   13 o  171.688   5.8653  211.358   11.224  220.560   12.827  181.295   23.184  180.286   5.2503  163.090   10.490 17.19669 11.73070 
1 1 1    4   15   14 o  171.765   5.8458  210.863   11.246  219.645   12.869  182.486   23.132  179.908   5.2784  163.622   10.432 16.28645 11.69163 
1 1 1    4   15   15 o  217.779   5.6680  324.197   14.052  325.640   16.022  319.386   29.247  219.048   5.3976  216.509   9.9684 2.538437 11.33595 
1 1 1    4   15   16 o  139.615   6.2095  131.739   10.718  130.437   12.739  134.894   19.828  138.565   6.7844  140.664   10.402 -2.098984 12.41900 
1 1 1    4   15   17 o   74.418   9.0626   37.703   9.1393   37.703   9.1393   0.0000   0.0000   74.418   9.0626  ?   ?       ?      ? 
1 1 1    4   15   18 o  130.592   6.9205  115.882   12.247  115.882   12.247   0.0000   0.0000  130.592   6.9205  ?   ?       ?      ? 
1 1 1    4   15   19 o  185.082   6.0283  236.270   13.985  241.676   16.942  224.707   24.778  188.610   6.6285  181.554   10.071 7.055862 12.05659 
1 1 1    4   15   20 o   55.851   9.2658   23.735   6.2349   25.937   7.1179   16.476   12.925   61.733   8.5085   49.969   16.463 11.76381 18.53156 
1 1 1    4   15   21 o  129.467   5.9129  111.565   8.7824  109.433   9.9904  118.816   18.425  126.951   5.8071  131.982   10.302 -5.030991 11.82578 
1 1 1    4   15   22 o  145.936   5.6863  144.580   9.5924  144.284   10.994  145.525   19.635  145.781   5.5649  146.091   9.9181 -0.3098297 11.37263 
1 1 1    4   15   23 o  102.709   6.4413   68.473   7.6486   65.577   8.6869   78.463   16.133   98.241   6.5251  107.177   11.108 -8.936577 12.88258 
1 1 1    4   15   24 o  181.989   5.6927  232.024   11.939  238.410   13.772  212.702   23.955  187.395   5.4232  176.584   10.011 10.81088 11.38539 
1 1 1    4   15   25 o  260.374   5.7503  451.496   17.220  442.917   19.610  480.391   35.988  255.391   5.6662  265.357   10.008 -9.966003 11.50065 
1 1 1    4   15   26 o  253.546   5.9100  455.537   17.332  473.551   20.095  403.201   34.252  264.074   5.6154  243.018   10.401 21.05630 11.81992 
1 1 1    4   15   27 o  283.245   5.7887  544.910   22.219  544.910   22.219   0.0000   0.0000  283.245   5.7887  ?   ?       ?      ? 
1 1 1    4   15   28 o  171.928   5.6290  200.752   13.115  200.752   13.115   0.0000   0.0000  171.928   5.6290  ?   ?       ?      ? 
1 1 1    4   15   29 o  151.287   5.8364  147.843   10.171  141.162   11.525  171.361   21.624  144.150   5.8999  158.425   10.072 -14.27521 11.67289 
1 1 1    4   15   30 o   98.043   6.7927   64.849   7.8162   64.114   9.0045   67.098   15.743   97.099   6.8432   98.988   11.736 -1.888512 13.58530 
1 1 1    4   15   31 o  174.019   5.6235  200.538   11.453  195.196   13.128  217.558   23.435  169.511   5.7151  178.527   9.6867 -9.016113 11.24695 
1 1 1    4   15   32 o  274.053   6.2561  512.599   21.758  513.503   26.497  510.727   38.124  274.729   7.1171  273.377   10.291 1.352570 12.51219 
1 1 1    4   15   33 o  190.023   6.8965  247.642   17.670  272.593   24.790  221.872   25.194  199.883   9.1521  180.162   10.319 19.72087 13.79296 
1 1 1    4   15   34 o   93.106   7.1798   56.428   7.9640   53.559   9.1675   65.255   16.079   88.688   7.6279   97.524   12.166 -8.836067 14.35965 
1 1 1    4   15   35 o  239.850   5.9914  379.961   17.965  361.763   21.356  424.012   33.226  230.595   6.8342  249.104   9.8427 -18.50879 11.98272 
1 1 1    4   15   36 o   51.816   10.118   20.116   7.2695   23.301   8.7245   12.884   13.147   57.286   11.635   46.345   16.555 10.94078 20.23530 
1 1 1    4   15   37 o   82.068   7.8517   45.232   8.1954   43.559   9.9131   48.846   14.567   79.867   9.1592   84.270   12.756 -4.402100 15.70350 
1 1 1    4   15   38 o  155.744   6.0051  162.666   11.860  157.688   14.324  173.520   21.151  152.199   6.9448  159.290   9.7986 -7.091095 12.01010 
1 1 1    4   15   39 o   73.708   8.1765   35.932   7.1393   33.644   8.3137   42.358   13.932   70.196   8.7398   77.220   13.822 -7.024239 16.35301 
1 1 1    4   15   40 o   92.691   6.9577   58.156   7.7904   57.379   9.1149   60.265   15.006   91.763   7.3299   93.619   11.828 -1.855843 13.91541 
1 1 1    4   15   41 o   87.880   7.8979   53.010   9.1594   52.860   11.691   53.248   14.738   87.855   9.8202   87.904   12.372 -0.4829407E-01 15.79580 
1 1 1    4   15   42 o   37.785   10.148   4.4781   7.5952  -2.5535   10.036   13.903   11.619   29.445   12.963   46.125   15.617 -16.68033 20.29623 
1 1 1    4   15   43 o  100.975   7.0753   74.120   8.4696   79.452   10.043   60.992   15.759  107.969   6.8643   93.981   12.374 13.98785 14.15052 
1 1 1    4   15   44 o   71.254   8.9425   37.747   7.4363   40.315   8.8154   31.409   13.847   76.769   8.4737   65.738   15.750 11.03075 17.88501 
1 1 1    4   15   45 o   97.406   6.9961   64.257   8.2539   63.132   9.6654   67.285   15.862   96.149   7.4181   98.662   11.864 -2.512886 13.99229 
1 1 1    4   15   46 o  104.112   7.0830   76.163   9.4828   80.116   11.875   69.204   15.755  108.195   8.0990  100.029   11.623 8.165405 14.16608 
1 1 1    4   15   47 o  183.176   5.8258  230.741   13.657  227.286   23.455  232.514   16.798  181.793   9.5209  184.558   6.7166 -2.765060 11.65162 
1 1 1    4   15   48 o   77.810   9.1961   42.522   9.3291   54.372   13.862   32.713   12.613   88.533   11.554   67.088   14.310 21.44576 18.39228 
1 1 1    4   15   49 o  144.204   9.4795  143.331   18.525   0.0000   0.0000  143.331   18.525  ?   ?   144.204   9.4795      ?      ? 
1 1 1    4   15   50 o  137.037   5.1181  128.520   9.4947  130.871   13.794  126.402   13.089  138.202   7.3651  135.873   7.1087 2.328461 10.23617 
1 1 1    4   15   51 o  100.532   5.7344   69.222   7.7900   76.983   11.380   62.379   10.686  105.846   7.9340   95.219   8.2815 10.62655 11.46878 
1 1 1    4   15   52 o   41.171   9.1694   11.257   5.8423   16.332   8.7898   7.2396   7.8195   47.374   13.200   34.967   12.731 12.40665 18.33879 
1 1 1    4   15   53 o   45.159   13.429   14.733   8.8233   14.733   8.8233   0.0000   0.0000   45.159   13.429  ?   ?       ?      ? 
1 1 1    4   15   54 o  114.762   5.4750   91.818   8.3787   73.900   11.922  109.305   11.778  103.368   8.5111  126.157   6.8892 -22.78877 10.94992 
1 1 1    4   15   55 o  109.447   5.4411   83.268   8.0072   75.050   11.657   90.610   11.018  104.145   8.2596  114.749   7.0854 -10.60342 10.88228 
1 1 1    4   15   56 o   74.397   6.6383   38.961   6.6116   35.866   9.8959   41.456   8.8858   71.508   10.212   77.287   8.4841 -5.779396 13.27663 
1 1 1    4   15   57 o   64.026   7.6273   30.031   6.3067   24.645   9.3768   34.481   8.5223   57.737   12.358   70.315   8.9439 -12.57811 15.25458 
1 1 1    4   15   58 o   32.685   9.5851   0.5802   6.3406   9.7424   12.357  -2.6944   7.3873   41.104   15.788   24.266   10.874 16.83833 19.17025 
1 1 1    4   15   59 o   70.263   9.4390   41.922   7.7687   24.747   14.094   49.418   9.3109   56.319   17.024   84.206   8.1595 -27.88758 18.87800 
1 1 1    4   15   60 o   33.362   9.6082   3.3654   6.2890   8.4448   11.744   1.3230   7.4468   39.122   15.290   27.602   11.640 11.52024 19.21647 
1 1 1    4   15   61 o   65.003   9.2226   32.717   7.5317   27.913   12.797   35.263   9.3160   59.528   15.655   70.478   9.7542 -10.94977 18.44525 
1 1 1    4   15   62 o   47.469   9.2080   17.865   7.4188   0.0744   11.996   28.885   9.4408   32.693   14.287   62.245   11.620 -29.55194 18.41594 
1 1 1    4   15   63 o   56.245   9.6135   21.856   9.0061   1.6682   12.249   45.609   13.287   33.905   14.629   78.586   12.476 -44.68046 19.22694 
1 1 1    4   15   64 o   47.289   15.836   17.412   11.946   17.412   11.946   0.0000   0.0000   47.289   15.836  ?   ?       ?      ? 
1 1 1    4   15   65 o   37.298   10.578   7.4579   8.1520   8.3405   11.444   6.5487   11.616   37.987   15.017   36.610   14.901 1.377178 21.15585 
1 1 1    4   15   66 o   61.567   10.921   30.865   9.0981   30.033   13.004   31.663   12.733   60.569   15.710   62.565   15.174 -1.996025 21.84196 
1 1 1    4   15   67 o   42.809   11.038   13.067   8.5091   18.416   12.287   8.1383   11.795   47.813   16.061   37.804   15.148 10.00872 22.07688 
1 1 1    4   15   68 o   54.860   10.900   25.030   8.6809   31.149   12.057   18.444   12.508   62.061   14.584   47.659   16.204 14.40218 21.79998 
1 1 1    4   15   69 o   52.868   16.336   23.605   12.886   0.0000   0.0000   23.605   12.886  ?   ?    52.868   16.336      ?      ? 
1 1 1    4   15   70 o   43.707   16.162   14.808   12.676   0.0000   0.0000   14.808   12.676  ?   ?    43.707   16.162      ?      ? 
1 1 1    4   15   71 o   34.679   9.8079   3.5646   8.0575   14.555   10.834 -10.0391   12.053   42.809   15.056   26.548   12.573 16.26139 19.61577 
1 1 1    4   15   72 o   33.089   9.8067   3.5086   7.8280   9.5394   10.418  -4.3124   11.864   37.320   14.452   28.857   13.260 8.462721 19.61348 
1 1 1    4   15   73 o   48.524   11.336   20.163   8.6459   16.969   11.528   24.270   13.071   44.855   15.545   52.194   16.503 -7.338886 22.67165 
1 1 1    4   15   74 o   37.009   10.636   8.5727   8.2480   6.5231   10.764   11.488   12.837   34.382   14.208   39.637   15.830 -5.254257 21.27115 
1 1 1    4   15   75 o   30.500   9.6058  -0.0131   8.0349  -3.8119   10.806   4.6852   12.017   27.303   12.586   33.697   14.515 -6.394354 19.21156 
1 1 1    4   15   76 o   35.897   10.704   7.8007   8.8697   8.0808   11.832   7.4413   13.401   35.671   14.831   36.123   15.438 -0.4524269 21.40780 
1 1 1    4   15   77 o   38.553   10.318   6.3640   8.7499  -8.7809   11.634   26.087   13.277   25.537   12.168   51.569   16.667 -26.03201 20.63653 
1 1 1    4   15   78 o   42.004   11.189   15.736   8.9549   8.9779   12.154   23.761   13.244   35.589   14.932   48.419   16.669 -12.83022 22.37864 
1 1 1    4   15   79 o   52.877   11.921   29.404   9.6335   30.046   13.539   28.746   13.711   53.646   16.772   52.107   16.946 1.539532 23.84260 
1 1 1    4   16    0 o  287.618   5.1457  562.995   20.030  590.621   28.159  534.703   28.497  294.797   7.0488  280.439   7.4985 14.35791 10.29143 
1 1 1    4   16    1 o  230.067   4.9260  359.724   15.324  360.013   20.992  359.394   22.423  230.189   6.7294  229.946   7.1958 0.2434387 9.852094 
1 1 1    4   16    2 o  202.658   4.9188  280.199   13.455  298.901   18.666  259.973   19.412  209.757   6.5669  195.559   7.3249 14.19807 9.837618 
1 1 1    4   16    3 o  250.749   4.9641  428.194   16.832  447.737   23.430  407.352   24.197  256.703   6.7354  244.794   7.2942 11.90921 9.928266 
1 1 1    4   16    4 o  137.696   5.1418  128.119   9.5449  121.817   12.749  136.158   14.399  133.880   7.0268  141.511   7.5085 -7.631027 10.28366 
1 1 1    4   16    5 o  193.009   4.8863  252.626   12.731  247.364   17.187  259.024   18.951  190.808   6.6470  195.210   7.1638 -4.402451 9.772580 
1 1 1    4   16    6 o  234.187   4.9462  372.406   15.664  367.815   21.410  377.694   22.978  232.656   6.7909  235.718   7.1933 -3.062347 9.892441 
1 1 1    4   16    7 o  326.367   5.3588  724.030   23.657  785.412   33.891  665.701   33.037  339.886   7.3582  312.849   7.7927 27.03726 10.71769 
1 1 1    4   16    8 o  110.413   5.7766   83.452   8.5859   88.869   11.746   77.236   12.582  114.316   7.5821  106.509   8.7172 7.806541 11.55326 
1 1 1    4   16    9 o  203.013   6.0526  284.526   15.961  266.087   26.201  295.409   20.128  197.563   9.7864  208.463   7.1249 -10.90039 12.10529 
1 1 1    4   16   10 o   60.817   13.061   26.291   10.443   0.0000   0.0000   26.291   10.443  ?   ?    60.817   13.061      ?      ? 
1 1 1    4   16   11 o  153.276   7.5015  159.772   15.581   0.0000   0.0000  159.772   15.581  ?   ?   153.276   7.5015      ?      ? 
1 1 1    4   16   12 o  249.460   7.3887  423.181   24.978   0.0000   0.0000  423.181   24.978  ?   ?   249.460   7.3887      ?      ? 
1 1 1    4   16   13 o  169.826   6.0628  188.066   12.760  176.859   15.032  216.960   24.137  161.305   6.8768  178.346   9.9870 -17.04095 12.12561 
1 1 1    4   16   14 o   68.984   9.8662   35.522   8.0076   38.145   9.3727   28.433   15.408   74.813   9.2449   63.154   17.433 11.65961 19.73235 
1 1 1    4   16   15 o  217.025   6.0679  320.697   16.373  320.611   19.589  320.897   29.821  217.195   6.6556  216.855   10.148 0.3403778 12.13572 
1 1 1    4   16   16 o  192.664   6.1803  260.362   14.754  272.640   17.838  233.773   26.250  200.292   6.5721  185.037   10.469 15.25403 12.36060 
1 1 1    4   16   17 f  198.714   6.0321  259.119   14.855  245.742   17.528  293.224   27.988  190.130   6.8031  207.299   9.9629 -17.16902 12.06410 
1 1 1    4   16   18 o  195.606   6.1563  263.547   14.900  267.895   17.841  253.523   27.088  198.526   6.6317  192.686   10.374 5.840027 12.31261 
1 1 1    4   16   19 o  153.687   6.3691  162.117   12.075  163.754   14.404  158.248   22.149  155.193   6.8491  152.181   10.740 3.012085 12.73824 
1 1 1    4   16   20 o  253.477   6.1831  426.910   19.521  411.039   23.189  465.514   36.166  245.856   6.9603  261.097   10.222 -15.24103 12.36629 
1 1 1    4   16   21 o  241.619   6.9516  397.016   22.762  397.016   22.762   0.0000   0.0000  241.619   6.9516  ?   ?       ?      ? 
1 1 1    4   16   22 o   94.780   11.905   61.535   15.290   61.535   15.290   0.0000   0.0000   94.780   11.905  ?   ?       ?      ? 
1 1 1    4   16   23 o  198.461   6.8982  267.871   18.552  267.871   18.552   0.0000   0.0000  198.461   6.8982  ?   ?       ?      ? 
1 1 1    4   16   24 o  254.341   6.2258  436.406   19.872  428.943   23.856  453.323   35.919  251.113   7.0104  257.568   10.291 -6.454651 12.45167 
1 1 1    4   16   25 o  293.065   6.4798  597.172   24.061  619.479   29.543  553.235   41.464  301.726   7.2254  284.404   10.758 17.32245 12.95960 
1 1 1    4   16   26 o  138.233   6.4993  123.425   11.384  112.122   13.587  150.060   20.856  128.312   7.8138  148.154   10.388 -19.84218 12.99868 
1 1 1    4   16   27 o   92.316   9.0054   59.358   11.103   66.853   15.189   50.756   16.272   98.792   11.345   85.839   13.988 12.95296 18.01083 
1 1 1    4   16   28 o  235.735   6.9863  379.901   22.282  383.090   30.728  376.366   32.359  236.839   9.5741  234.631   10.177 2.207764 13.97265 
1 1 1    4   16   29 o  129.988   6.3618  119.158   9.5827  123.034   11.099  107.806   18.992  134.531   6.0881  125.444   11.172 9.087189 12.72353 
1 1 1    4   16   30 o  210.828   5.7374  308.353   14.099  313.757   16.307  292.348   28.064  214.882   5.5999  206.774   10.015 8.108246 11.47471 
1 1 1    4   16   31 o  131.947   6.2662  120.704   9.5394  122.469   10.973  115.240   19.304  134.213   6.0331  129.681   10.985 4.532043 12.53240 
1 1 1    4   16   32 o  115.591   6.3731   90.385   8.7800   89.447   10.200   93.069   17.253  114.657   6.5644  116.526   10.926 -1.869324 12.74623 
1 1 1    4   16   33 o  123.214   6.1136   99.321   8.9541   94.956   10.309  112.733   18.071  118.135   6.4393  128.292   10.394 -10.15691 12.22721 
1 1 1    4   16   34 o  121.730   6.4688  104.876   9.1391  108.559   10.602   94.223   18.030  126.324   6.1932  117.135   11.359 9.189087 12.93754 
1 1 1    4   16   35 o  130.025   6.1567  111.927   9.6046  108.023   11.137  123.259   18.975  125.972   6.5238  134.079   10.443 -8.106926 12.31333 
1 1 1    4   16   36 o  194.103   6.2051  258.706   15.532  261.447   19.274  253.629   26.233  195.843   7.2623  192.362   10.063 3.480804 12.41014 
1 1 1    4   16   37 o  208.878   6.2210  301.228   16.756  308.035   20.857  288.842   28.136  212.548   7.2414  205.208   10.118 7.340332 12.44207 
1 1 1    4   16   38 o  100.006   7.1415   68.327   8.5346   67.972   9.9447   69.319   16.627   99.816   7.3521  100.196   12.246 -0.3793259 14.28307 
1 1 1    4   16   39 o  193.986   5.8303  257.751   13.300  258.208   15.388  256.403   26.439  194.767   5.8303  193.204   10.098 1.562317 11.66053 
1 1 1    4   16   40 o  172.697   5.8208  203.774   11.883  203.490   13.776  204.599   23.490  172.870   5.8805  172.523   10.047 0.3465576 11.64165 
1 1 1    4   16   41 o   97.174   7.3631   69.000   8.4091   73.805   9.9230   56.758   15.839  103.974   7.0427   90.374   12.933 13.59911 14.72622 
1 1 1    4   16   42 o   64.057   9.8343   33.154   8.3766   43.206   10.490   15.465   13.915   79.238   9.7692   48.876   17.071 30.36238 19.66855 
1 1 1    4   16   43 o  183.555   6.2443  229.723   14.650  226.396   17.898  236.473   25.499  181.957   7.2587  185.153   10.163 -3.196167 12.48864 
1 1 1    4   16   44 o   76.469   10.681   40.466   11.068   40.466   11.068   0.0000   0.0000   76.469   10.681  ?   ?       ?      ? 
1 1 1    4   16   45 o  113.288   6.9122   87.794   10.612   87.794   10.612   0.0000   0.0000  113.288   6.9122  ?   ?       ?      ? 
1 1 1    4   16   46 o  103.993   6.5239   70.958   8.3790   66.158   9.8371   83.647   15.993   98.236   7.3895  109.749   10.754 -11.51280 13.04781 
1 1 1    4   16   47 o   55.189   9.6724   22.958   6.8803   24.856   8.0801   17.952   13.122   59.884   9.9568   50.493   16.586 9.391212 19.34489 
1 1 1    4   16   48 o   35.735   9.7044   5.5862   6.1613   3.7079   7.3571   9.9969   11.274   30.305   12.022   41.165   15.238 -10.86061 19.40889 
1 1 1    4   16   49 o   45.113   9.9059   13.218   6.2653   10.789   7.4663   18.999   11.519   39.278   12.479   50.948   15.388 -11.66947 19.81184 
1 1 1    4   16   50 o  108.306   6.3339   81.038   8.3188   80.676   9.7851   81.983   15.799  108.422   6.6599  108.190   10.776 0.2314377 12.66788 
1 1 1    4   16   51 o   40.743   10.102   10.363   6.7422   8.1655   8.5175   14.051   11.034   36.540   13.289   44.946   15.219 -8.405891 20.20435 
1 1 1    4   16   52 o   47.586   8.8041   17.045   5.7964   13.450   8.8542   19.742   7.6679   43.204   13.573   51.967   11.217 -8.762436 17.60821 
1 1 1    4   16   53 o   45.520   8.9912   15.278   5.7123   15.486   8.8116   15.128   7.5024   45.776   13.369   45.265   12.026 0.5108032 17.98243 
1 1 1    4   16   54 o   35.851   9.9533   6.5425   6.3222   5.1179   13.128   6.9727   7.2139   38.058   15.706   33.644   12.231 4.413979 19.90661 
1 1 1    4   16   55 o   93.267   8.2727   67.919   8.6866   51.841   16.014   74.621   10.340   82.772   14.822  103.763   7.3535 -20.99138 16.54548 
1 1 1    4   16   56 o   97.697   6.8757   59.140   8.3840   91.135   16.218   47.472   9.7942  113.126   10.579   82.269   8.7851 30.85700 13.75146 
1 1 1    4   16   57 o   54.120   9.9547   22.388   6.9342   22.245   12.872   22.446   8.2306   53.297   16.304   54.942   11.427 -1.645618 19.90937 
1 1 1    4   16   58 o   39.478   9.4304   11.343   6.5715   0.0138   11.989   16.208   7.8570   32.693   14.285   46.262   12.315 -13.56907 18.86079 
1 1 1    4   16   59 o   73.016   9.1058   44.077   7.8237   29.724   13.609   51.163   9.5618   60.761   16.223   85.271   8.2748 -24.51017 18.21157 
1 1 1    4   16   60 o   33.182   14.197   2.1792   11.355   2.1792   11.355   0.0000   0.0000   33.182   14.197  ?   ?       ?      ? 
1 1 1    4   16   61 o   29.236   13.159  -2.8926   10.948  -2.8926   10.948   0.0000   0.0000   29.236   13.159  ?   ?       ?      ? 
1 1 1    4   16   62 o   31.811   9.5057  -2.2612   7.8267   10.599   11.444 -13.5625   10.728   39.977   15.232   23.644   11.377 16.33253 19.01137 
1 1 1    4   16   63 o   50.551   11.086   19.828   8.7677   29.546   13.023   11.773   11.857   59.934   15.808   41.168   15.548 18.76600 22.17241 
1 1 1    4   16   64 o   48.064   11.183   17.975   8.5722   24.795   12.896   12.575   11.474   54.522   16.240   41.606   15.378 12.91595 22.36559 
1 1 1    4   16   65 o   54.420   11.154   24.549   8.8735   30.466   12.700   18.905   12.403   60.754   15.404   48.085   16.136 12.66972 22.30855 
1 1 1    4   16   66 o   45.158   11.068   15.884   8.3507   11.837   11.348   20.663   12.333   40.541   15.232   49.775   16.062 -9.233925 22.13544 
1 1 1    4   16   67 o   45.439   16.187   16.680   12.561   0.0000   0.0000   16.680   12.561  ?   ?    45.439   16.187      ?      ? 
1 1 1    4   16   68 o   28.482   12.996  -3.5541   11.129   0.0000   0.0000  -3.5541   11.129  ?   ?    28.482   12.996      ?      ? 
1 1 1    4   16   69 o   34.537   10.175   5.2633   7.9896   1.6974   11.100   9.0964   11.509   31.526   13.761   37.548   14.991 -6.021652 20.34982 
1 1 1    4   16   70 o   37.199   10.543   8.9633   8.0731   7.8085   11.054   10.283   11.818   35.912   14.567   38.485   15.246 -2.573490 21.08651 
1 1 1    4   16   71 o   35.492   10.423   7.0557   8.2777   8.5397   11.311   5.3441   12.147   36.424   14.749   34.561   14.732 1.863056 20.84618 
1 1 1    4   16   72 o   24.139   8.1714 -10.9224   7.5753 -14.5579   10.326  -6.6856   11.147   21.983   10.714   26.295   12.341 -4.311983 16.34274 
1 1 1    4   16   73 o   37.612   10.752   10.289   8.5711   12.811   11.746   7.4183   12.535   39.602   15.343   35.621   15.066 3.981651 21.50323 
1 1 1    4   16   74 o   24.993   8.4211  -9.1306   7.9599  -5.1613   10.655 -14.1433   11.974   26.016   12.164   23.970   11.649 2.045362 16.84216 
1 1 1    4   16   75 f   31.637   9.9130   2.8204   8.4126  -0.2270   11.315   6.5867   12.579   29.064   13.200   34.211   14.793 -5.146572 19.82602 
1 1 1    4   16   76 o   30.981   9.8258   2.6647   8.4980   2.8359   11.290   2.4410   12.907   30.488   13.568   31.475   14.215 -0.9862823 19.65153 
1 1 1    4   17    0 o  169.250   6.0353  194.389   13.505  198.585   21.723  191.745   17.242  170.636   9.3942  167.863   7.5795 2.772736 12.07066 
1 1 1    4   17    1 o  225.521   7.1781  350.493   21.726  391.869   30.069  305.299   31.425  239.722   9.2561  211.319   10.974 28.40230 14.35624 
1 1 1    4   17    2 o  356.896   7.9628  869.911   38.404  854.037   52.192  888.654   56.713  353.458   10.896  360.333   11.614 -6.875763 15.92559 
1 1 1    4   17    3 o  173.442   6.6935  208.490   14.069  212.759   16.633  197.754   26.374  176.882   6.9393  170.003   11.448 6.878922 13.38710 
1 1 1    4   17    4 f  236.902   6.3871  386.362   18.708  391.975   22.379  373.335   34.091  240.092   6.8782  233.711   10.764 6.380798 12.77415 
1 1 1    4   17    5 o  217.517   6.2627  320.167   16.872  316.808   20.079  328.237   31.119  215.847   6.8645  219.187   10.477 -3.340134 12.52530 
1 1 1    4   17    6 o  279.152   5.2179  530.699   19.697  538.691   27.111  521.763   28.667  281.421   7.1088  276.882   7.6401 4.539276 10.43583 
1 1 1    4   17    7 o  242.404   5.0670  400.019   16.607  404.596   22.803  394.850   24.233  243.917   6.8986  240.892   7.4233 3.025116 10.13393 
1 1 1    4   17    8 f  206.394   5.0221  289.810   14.002  290.378   19.067  289.146   20.628  206.646   6.8088  206.143   7.3842 0.5037079 10.04422 
1 1 1    4   17    9 o  203.489   5.0284  281.078   13.828  274.058   18.779  289.394   20.439  200.742   6.9032  206.236   7.3133 -5.493439 10.05677 
1 1 1    4   17   10 o   65.966   8.4456   29.710   7.3285   24.482   9.6752   36.747   11.225   58.657   12.551   73.276   11.304 -14.61940 16.89119 
1 1 1    4   17   11 o  104.422   6.1816   75.164   8.6448   82.392   11.762   66.673   12.748  110.001   7.8908   98.842   9.5175 11.15809 12.36312 
1 1 1    4   17   12 o  215.610   6.3544  320.987   17.152  327.703   20.748  306.492   30.480  219.492   6.9756  211.728   10.623 7.763916 12.70880 
1 1 1    4   17   13 o   57.651   10.294   26.943   7.5087   30.881   8.3943   11.179   16.795   67.280   9.2070   48.022   18.415 19.25770 20.58847 
1 1 1    4   17   14 o  173.210   5.7852  203.840   13.579  203.840   13.579   0.0000   0.0000  173.210   5.7852  ?   ?       ?      ? 
1 1 1    4   17   15 o  174.166   5.7871  206.102   13.659  206.102   13.659   0.0000   0.0000  174.166   5.7871  ?   ?       ?      ? 
1 1 1    4   17   16 o  164.519   5.8285  183.916   12.994  183.916   12.994   0.0000   0.0000  164.519   5.8285  ?   ?       ?      ? 
1 1 1    4   17   17 o   56.804   10.206   22.924   6.9264   23.214   7.8388   21.890   14.793   57.395   10.464   56.213   17.525 1.181187 20.41126 
1 1 1    4   17   18 o   60.100   10.286   21.948   7.0349   18.971   7.8612   33.918   15.763   51.623   11.529   68.577   17.038 -16.95443 20.57155 
1 1 1    4   17   19 o  163.364   6.0361  184.212   11.172  186.107   12.734  177.882   23.277  165.498   5.6780  161.230   10.653 4.268616 12.07212 
1 1 1    4   17   20 o  115.649   6.8596   90.139   8.9147   89.171   10.076   93.624   19.127  114.505   6.4936  116.793   12.085 -2.287895 13.71912 
1 1 1    4   17   21 o  239.053   5.9546  392.550   16.318  395.108   18.674  384.294   33.554  241.124   5.7151  236.983   10.448 4.140137 11.90929 
1 1 1    4   17   22 f   76.307   10.896   41.554   10.843   40.122   14.647   43.290   16.129   74.920   14.950   77.694   15.856 -2.774338 21.79280 
1 1 1    4   17   23 o  129.694   6.7392  108.987   11.096   99.076   13.269  132.042   20.237  120.547   8.1224  138.840   10.756 -18.29327 13.47834 
1 1 1    4   17   24 o  104.357   7.0815   71.465   8.5506   68.821   9.7279   80.445   17.931  100.534   7.1404  108.179   12.231 -7.645279 14.16299 
1 1 1    4   17   25 o  202.823   5.9508  283.670   13.808  286.317   15.802  275.116   28.403  205.234   5.6815  200.413   10.458 4.821274 11.90167 
1 1 1    4   17   26 o  149.546   6.1722  152.975   10.602  153.208   12.130  152.221   21.823  150.097   5.9633  148.994   10.808 1.102905 12.34439 
1 1 1    4   17   27 o  123.304   7.0057  106.833   10.891  112.188   13.367   96.260   18.782  128.274   7.6900  118.333   11.713 9.940613 14.01145 
1 1 1    4   17   28 o   72.324   10.914   35.906   10.696   35.906   10.696   0.0000   0.0000   72.324   10.914  ?   ?       ?      ? 
1 1 1    4   17   29 o   72.822   8.5392   36.231   8.4268   36.231   8.4268   0.0000   0.0000   72.822   8.5392  ?   ?       ?      ? 
1 1 1    4   17   30 o   93.936   7.3078   59.433   8.1032   58.304   9.3484   62.845   16.250   92.457   7.4614   95.415   12.568 -2.958076 14.61563 
1 1 1    4   17   31 o  116.319   7.2603   94.587   10.785   98.358   13.359   87.526   18.278  119.981   8.2160  112.657   11.973 7.324760 14.52067 
1 1 1    4   17   32 o   59.683   9.9771   28.377   8.7373   40.142   10.965   7.9122   14.462   76.414   10.589   42.953   16.913 33.46075 19.95428 
1 1 1    4   17   33 o  134.717   6.8235  126.168   11.716  129.568   14.430  119.589   20.072  137.721   7.7318  131.714   11.245 6.006241 13.64696 
1 1 1    4   17   34 o  171.838   6.2587  198.929   13.634  192.921   16.467  212.027   24.314  168.103   7.2288  175.574   10.219 -7.470795 12.51731 
1 1 1    4   17   35 o   46.961   10.524   15.643   7.9086   20.750   9.8405   6.3269   13.290   53.573   13.546   40.350   16.110 13.22258 21.04848 
1 1 1    4   17   36 o   48.450   10.924   15.338   7.7770   12.775   9.5702   20.320   13.344   43.374   14.160   53.527   16.638 -10.15302 21.84796 
1 1 1    4   17   37 o   79.624   8.9548   46.397   8.7073   49.637   10.738   40.178   14.878   84.959   9.3270   74.288   15.289 10.67178 17.90957 
1 1 1    4   17   38 o   93.641   7.3374   60.491   8.1407   60.402   9.4543   60.746   16.009   93.947   7.4261   93.335   12.657 0.6123734 14.67480 
1 1 1    4   17   39 f  130.886   6.3431  116.978   11.251  116.978   11.251   0.0000   0.0000  130.886   6.3431  ?   ?       ?      ? 
1 1 1    4   17   40 o  121.752   6.5977  101.340   10.886  101.340   10.886   0.0000   0.0000  121.752   6.5977  ?   ?       ?      ? 
1 1 1    4   17   41 o   61.728   9.4549   22.327   7.0514   15.448   8.1233   43.354   14.202   46.190   12.620   77.266   14.083 -31.07584 18.90985 
1 1 1    4   17   42 o  156.168   5.9972  166.380   11.023  164.707   12.728  171.400   22.047  155.248   6.0497  157.088   10.357 -1.839767 11.99438 
1 1 1    4   17   43 o  133.315   6.2650  121.239   9.8731  119.631   11.419  126.001   19.652  132.206   6.3737  134.425   10.788 -2.218857 12.53009 
1 1 1    4   17   44 o   51.391   10.067   19.879   6.8881   21.168   8.0983   16.508   13.098   54.011   11.421   48.771   16.581 5.239937 20.13396 
1 1 1    4   17   45 o   31.510   9.2988   2.4689   6.3023   3.7017   7.5636  -0.3309   11.398   30.508   12.162   32.513   14.070 -2.004890 18.59762 
1 1 1    4   17   46 o  146.405   5.9641  149.075   10.372  149.834   12.085  146.949   20.212  147.882   6.0304  144.928   10.292 2.954407 11.92825 
1 1 1    4   17   47 o   62.590   8.6538   24.560   6.7730   18.352   7.9951   40.339   12.746   49.932   11.971   75.248   12.500 -25.31571 17.30756 
1 1 1    4   17   48 o  114.571   6.3050   92.204   8.6861   93.167   10.208   89.678   16.535  116.404   6.4714  112.739   10.823 3.665527 12.60992 
1 1 1    4   17   49 o  113.778   6.4530   95.387   8.8147  102.456   10.550   79.039   16.043  122.033   6.3794  105.523   11.219 16.50950 12.90606 
1 1 1    4   17   50 o  157.890   6.3256  171.346   13.207  161.176   16.725  188.193   21.526  152.218   8.1081  163.562   9.7115 -11.34425 12.65129 
1 1 1    4   17   51 o   66.743   9.3276   36.609   8.4957   57.065   11.535   12.354   12.560   90.043   9.4531   43.444   16.083 46.59858 18.65523 
1 1 1    4   17   52 o   47.685   10.233   16.434   7.4438   10.216   10.035   24.042   11.100   39.509   14.416   55.862   14.527 -16.35316 20.46593 
1 1 1    4   17   53 o   59.577   9.2083   24.481   7.7551   10.778   9.9878   45.284   12.306   39.951   14.412   79.204   11.466 -39.25286 18.41661 
1 1 1    4   17   54 o   73.027   9.2884   42.179   8.5050   49.548   10.981   31.131   13.445   83.451   9.7104   62.604   15.837 20.84622 18.57670 
1 1 1    4   17   55 o   75.341   9.1165   44.241   8.5943   49.560   11.004   35.923   13.761   83.321   9.7458   67.360   15.410 15.96145 18.23302 
1 1 1    4   17   56 o   65.350   12.229   32.277   10.431   32.277   10.431   0.0000   0.0000   65.350   12.229  ?   ?       ?      ? 
1 1 1    4   17   57 o   42.257   15.918   12.284   12.410   12.284   12.410   0.0000   0.0000   42.257   15.918  ?   ?       ?      ? 
1 1 1    4   17   58 o   31.917   14.014   0.0912   11.664   0.0912   11.664   0.0000   0.0000   31.917   14.014  ?   ?       ?      ? 
1 1 1    4   17   59 o   57.998   11.006   28.090   9.1119   20.116   13.511   34.742   12.341   49.745   16.841   66.250   14.174 -16.50503 22.01192 
1 1 1    4   17   60 o   50.152   10.375   20.653   8.5860   6.2227   13.218   31.186   11.293   37.444   15.631   62.861   13.648 -25.41698 20.75065 
1 1 1    4   17   61 o   43.977   11.124   14.619   8.3085   17.381   12.876   12.649   10.876   46.617   16.412   41.337   15.019 5.280300 22.24741 
1 1 1    4   17   62 o   54.283   10.911   23.690   8.7092   33.970   13.051   15.435   11.694   64.259   15.221   44.306   15.636 19.95285 21.82152 
1 1 1    4   17   63 o   63.834   10.649   33.496   9.1482   26.485   12.607   41.293   13.295   55.988   15.882   71.680   14.189 -15.69226 21.29761 
1 1 1    4   17   64 o   52.527   10.522   22.026   8.8504   8.2117   12.256   37.081   12.794   37.630   15.310   67.424   14.438 -29.79368 21.04459 
1 1 1    4   17   65 o   33.874   14.421   4.1954   11.611   0.0000   0.0000   4.1954   11.611  ?   ?    33.874   14.421      ?      ? 
1 1 1    4   17   66 o   86.629   12.572   58.419   14.759   0.0000   0.0000   58.419   14.759  ?   ?    86.629   12.572      ?      ? 
1 1 1    4   17   67 o   32.442   9.8378   2.4586   8.0594   8.4337   11.116  -4.1638   11.702   36.388   14.661   28.497   13.122 7.891216 19.67555 
1 1 1    4   17   68 o   27.434   8.7842  -6.0308   7.6292   5.0698   10.619 -17.8710   10.967   33.017   13.911   21.850   10.731 11.16747 17.56840 
1 1 1    4   17   69 f   39.686   10.918   12.496   8.4316   11.952   11.669   13.091   12.197   39.106   15.253   40.267   15.625 -1.161037 21.83548 
1 1 1    4   17   70 o   40.848   10.783   13.522   8.6078   21.163   11.874   5.0592   12.497   47.803   15.781   33.894   14.700 13.90915 21.56647 
1 1 1    4   17   71 o   34.581   10.320   6.5464   8.3747   2.0321   11.338   11.967   12.424   30.688   13.630   38.474   15.500 -7.785843 20.64041 
1 1 1    4   17   72 o   34.159   10.138   4.9174   8.4418  -4.3887   11.459   15.961   12.483   27.004   12.622   41.314   15.868 -14.31024 20.27586 
1 1 1    4   17   73 o   30.807   9.6656   0.6672   8.6468   10.558   11.905 -10.3773   12.580   36.163   14.943   25.450   12.264 10.71299 19.33116 
1 1 1    4   18    0 o   70.690   8.0591   33.920   7.4737   28.562   9.7672   41.489   11.609   63.551   11.775   77.828   11.007 -14.27669 16.11829 
1 1 1    4   18    1 o  148.988   5.3104  151.691   10.647  156.092   14.361  146.318   15.865  151.446   6.9975  146.530   7.9899 4.915680 10.62089 
1 1 1    4   18    2 o   69.324   8.7667   36.613   7.5958   47.849   10.029   21.496   11.633   83.740   8.8378   54.908   15.143 28.83221 17.53345 
1 1 1    4   18    3 o  132.882   5.6484  122.456   9.9907  138.844   13.581  103.129   14.749  142.830   7.0166  122.935   8.8534 19.89525 11.29674 
1 1 1    4   18    4 o   85.837   9.4632   54.101   9.3546   57.294   11.062   46.085   17.528   91.625   8.9088   80.050   16.699 11.57498 18.92643 
1 1 1    4   18    5 o  316.930   6.6499  690.978   26.616  699.868   32.369  672.419   46.770  320.574   7.4511  313.285   11.017 7.288910 13.29975 
1 1 1    4   18    6 o   91.614   8.8500   61.592   9.4379   65.989   11.284   51.354   17.218   98.362   8.4656   84.866   15.544 13.49559 17.70008 
1 1 1    4   18    7 o   79.786   9.9578   52.276   8.9694   61.782   10.697   29.767   16.460   95.186   8.2931   64.387   18.107 30.79835 19.91559 
1 1 1    4   18    8 o  131.088   5.6664  117.081   9.9486  116.784   13.102  117.487   15.289  130.950   7.3832  131.225   8.5976 -0.2748566 11.33273 
1 1 1    4   18    9 o  279.756   5.2466  534.322   19.840  557.919   27.510  508.749   28.639  286.270   7.0914  273.242   7.7343 13.02841 10.49323 
1 1 1    4   18   10 o   72.876   8.4499   38.179   7.8632   43.066   10.347   31.500   12.098   79.373   9.6195   66.379   13.895 12.99388 16.89978 
1 1 1    4   18   11 o   68.180   8.6283   31.523   7.6699   23.252   10.025   43.197   11.911   56.986   13.235   79.375   11.073 -22.38900 17.25664 
1 1 1    4   18   12 o  235.224   6.4222  382.636   18.723  389.891   22.465  366.137   33.878  239.316   6.9272  231.132   10.816 8.184540 12.84444 
1 1 1    4   18   13 f   48.499   10.701   16.407   6.8418   17.499   7.5622   11.483   16.062   49.522   11.491   47.476   18.055 2.046062 21.40159 
1 1 1    4   18   14 o   95.178   9.2412   76.926   8.4546   86.659   9.6069   43.498   17.804  112.865   6.2811   77.490   17.382 35.37500 18.48248 
1 1 1    4   18   15 o   55.977   9.9427   25.625   7.0851   29.548   7.9408   10.310   15.690   65.768   8.9099   46.187   17.778 19.58007 19.88534 
1 1 1    4   18   16 o  230.066   6.3018  359.042   18.214  354.756   21.914  368.619   32.758  228.213   7.0859  231.919   10.423 -3.705826 12.60368 
1 1 1    4   18   17 o   46.991   12.098   11.681   10.145   6.0155   13.546   18.921   15.312   40.621   16.248   53.361   17.928 -12.73991 24.19562 
1 1 1    4   18   18 o   52.285   10.561   14.134   6.8496   9.6242   7.6708   31.877   15.216   38.268   12.686   66.302   16.888 -28.03420 21.12243 
1 1 1    4   18   19 o  118.116   6.9975   99.363   9.1597  102.412   10.413   88.933   19.260  122.669   6.2639  113.563   12.515 9.106194 13.99504 
1 1 1    4   18   20 o  106.676   7.1850   77.919   8.6471   77.827   9.8142   78.235   18.283  106.889   6.7755  106.464   12.672 0.4251633 14.37000 
1 1 1    4   18   21 o  164.674   6.0396  185.853   11.428  186.311   13.081  184.377   23.488  165.485   5.8331  163.863   10.577 1.621643 12.07912 
1 1 1    4   18   22 o  158.670   6.1485  170.474   11.173  168.998   12.736  175.406   23.281  157.583   5.9638  159.756   10.754 -2.172958 12.29691 
1 1 1    4   18   23 o  189.447   6.0386  248.169   13.055  250.571   14.927  240.355   26.927  191.900   5.7399  186.995   10.626 4.904556 12.07714 
1 1 1    4   18   24 o  158.848   6.0773  165.115   11.137  158.698   12.648  187.253   23.494  152.662   6.1139  165.033   10.505 -12.37106 12.15467 
1 1 1    4   18   25 o  156.286   6.6024  172.037   12.923  180.319   15.766  155.079   22.559  162.559   7.1567  150.013   11.097 12.54567 13.20484 
1 1 1    4   18   26 o   56.217   10.484   18.264   8.1278   9.3849   9.7547   38.427   14.699   39.636   14.249   72.797   15.382 -33.16129 20.96792 
1 1 1    4   18   27 o   47.089   10.343   15.898   6.9213   17.534   7.9991   11.026   13.806   49.370   12.060   44.807   16.807 4.562687 20.68596 
1 1 1    4   18   28 o   63.226   9.6173   33.161   7.1539   37.973   8.2333   18.334   14.453   74.473   8.1582   51.979   17.419 22.49326 19.23453 
1 1 1    4   18   29 o   69.865   8.8676   31.787   7.2513   28.918   8.3412   40.664   14.672   64.849   9.4917   74.882   14.981 -10.03298 17.73522 
1 1 1    4   18   30 o  164.636   6.1100  190.301   11.592  194.414   13.357  177.748   23.334  168.894   5.8358  160.378   10.736 8.516113 12.21993 
1 1 1    4   18   31 o  141.306   6.1681  135.612   10.136  134.155   11.631  140.211   20.665  140.234   6.1206  142.377   10.711 -2.142548 12.33612 
1 1 1    4   18   32 o   72.935   8.9697   37.628   7.5739   37.461   8.8113   38.102   14.821   73.811   8.8092   72.060   15.628 1.751122 17.93941 
1 1 1    4   18   33 o   41.158   10.785   3.6785   8.3039  -4.5247   10.085   20.944   14.632   28.031   12.622   54.284   17.493 -26.25295 21.57079 
1 1 1    4   18   34 o  102.639   7.3224   72.191   10.185   72.191   10.185   0.0000   0.0000  102.639   7.3224  ?   ?       ?      ? 
1 1 1    4   18   35 o   39.182   12.518   10.612   7.5058   10.612   7.5058   0.0000   0.0000   39.182   12.518  ?   ?       ?      ? 
1 1 1    4   18   36 o   91.088   8.2028   63.583   8.0842   68.451   9.3751   49.465   15.964   99.946   6.9219   82.231   14.874 17.71480 16.40551 
1 1 1    4   18   37 o   58.479   9.4441   27.563   6.9564   31.690   8.1836   16.815   13.207   67.717   8.9179   49.240   16.650 18.47667 18.88825 
1 1 1    4   18   38 o  100.647   6.6443   63.542   8.1070   56.262   9.3337   85.907   16.359   90.429   7.6167  110.865   10.889 -20.43618 13.28856 
1 1 1    4   18   39 o  137.519   6.2978  135.043   10.039  139.198   11.636  122.946   19.855  142.603   6.0214  132.435   11.063 10.16786 12.59560 
1 1 1    4   18   40 o   73.155   7.8394   33.696   6.9936   29.272   8.0681   47.070   14.026   64.913   9.1718   81.397   12.716 -16.48338 15.67881 
1 1 1    4   18   41 o   45.397   10.153   12.009   6.4674   8.1149   7.5314   22.946   12.621   35.580   12.549   55.214   15.964 -19.63367 20.30614 
1 1 1    4   18   42 o  124.297   6.3487  109.477   9.3142  111.654   10.863  103.430   18.101  127.517   6.2862  121.076   11.032 6.441063 12.69749 
1 1 1    4   18   43 o   44.620   10.132   14.044   6.5192   13.802   7.7186   14.647   12.176   43.354   12.470   45.887   15.972 -2.532616 20.26319 
1 1 1    4   18   44 o   70.895   8.2842   33.424   7.0436   29.775   8.2091   43.605   13.714   65.219   9.2884   76.571   13.720 -11.35240 16.56839 
1 1 1    4   18   45 o   63.702   10.083   30.305   8.3613   28.247   10.789   33.399   13.230   61.340   13.358   66.063   15.106 -4.722836 20.16543 
1 1 1    4   18   46 o   52.823   10.527   21.932   8.0001   25.762   10.330   16.191   12.646   58.415   13.342   47.232   16.286 11.18274 21.05350 
1 1 1    4   18   47 o   33.231   9.8500   2.7056   7.3116   1.4202   9.3701   4.7068   11.691   30.513   12.971   35.948   14.827 -5.435535 19.70009 
1 1 1    4   18   48 o   52.677   10.390   21.570   7.6443   22.366   9.9256   20.410   11.984   54.058   13.570   51.296   15.738 2.761864 20.78045 
1 1 1    4   18   49 o   36.753   10.105   7.0833   7.1471   4.7262   9.2649   10.547   11.232   33.084   13.365   40.421   15.160 -7.336571 20.21017 
1 1 1    4   18   50 o   45.593   10.354   13.485   7.5704   6.0382   9.6528   25.385   12.202   34.640   13.761   56.545   15.474 -21.90496 20.70796 
1 1 1    4   18   51 o   38.748   9.2190   7.7647   7.3158   20.318   9.6449  -9.2433   11.227   51.116   13.662   26.380   12.382 24.73600 18.43794 
1 1 1    4   18   52 o   53.083   16.841   22.894   13.603   22.894   13.603   0.0000   0.0000   53.083   16.841  ?   ?       ?      ? 
1 1 1    4   18   53 o   54.870   16.733   24.783   13.573   24.783   13.573   0.0000   0.0000   54.870   16.733  ?   ?       ?      ? 
1 1 1    4   18   54 o   45.831   16.552   16.024   13.179   16.024   13.179   0.0000   0.0000   45.831   16.552  ?   ?       ?      ? 
1 1 1    4   18   55 o   47.305   14.183   17.756   9.8115   17.756   9.8115   0.0000   0.0000   47.305   14.183  ?   ?       ?      ? 
1 1 1    4   18   56 o   88.245   9.6229   56.289   11.507   56.289   11.507   0.0000   0.0000   88.245   9.6229  ?   ?       ?      ? 
1 1 1    4   18   57 o   44.333   14.408   15.539   9.9121   15.539   9.9121   0.0000   0.0000   44.333   14.408  ?   ?       ?      ? 
1 1 1    4   18   58 o   59.665   12.515   27.781   9.7963   27.781   9.7963   0.0000   0.0000   59.665   12.515  ?   ?       ?      ? 
1 1 1    4   18   59 o   64.245   11.912   31.834   9.9888   31.834   9.9888   0.0000   0.0000   64.245   11.912  ?   ?       ?      ? 
1 1 1    4   18   60 o   39.669   13.755   12.059   9.0265   12.059   9.0265   0.0000   0.0000   39.669   13.755  ?   ?       ?      ? 
1 1 1    4   18   61 o   89.634   13.815   63.624   16.780   63.624   16.780   0.0000   0.0000   89.634   13.815  ?   ?       ?      ? 
1 1 1    4   18   62 o   27.133   12.809  -9.0619   12.327  -9.0619   12.327   0.0000   0.0000   27.133   12.809  ?   ?       ?      ? 
1 1 1    4   18   64 o   32.083   13.856   3.2562   11.008   3.2562   11.008   0.0000   0.0000   32.083   13.856  ?   ?       ?      ? 
1 1 1    4   18   65 o   38.523   10.679   10.947   8.1885   7.7945   11.311   14.418   11.870   35.505   14.607   41.540   15.584 -6.034786 21.35900 
1 1 1    4   18   66 o   31.326   9.7580   2.1197   8.1228   4.7211   11.157  -0.8142   11.849   32.763   14.046   29.890   13.549 2.872845 19.51599 
1 1 1    4   18   67 o   60.102   10.956   33.014   9.6219   19.226   13.092   49.211   14.189   45.064   16.463   75.140   14.460 -30.07635 21.91123 
1 1 1    4   18   68 o   60.570   10.918   34.175   9.5400   20.970   12.994   49.612   14.050   46.140   16.461   74.999   14.347 -28.85881 21.83626 
1 1 1    4   18   69 o   35.625   10.589   9.2144   8.6672   7.5334   11.940   11.086   12.601   34.199   14.593   37.050   15.346 -2.851124 21.17721 
1 1 1    4   18   70 o   44.532   11.390   19.931   9.2265   12.311   12.759   28.283   13.358   37.431   15.468   51.634   16.722 -14.20311 22.77904 
1 1 1    4   19    0 o  104.064   6.4476   74.884   8.9301   78.827   11.770   69.536   13.708  107.437   8.0844  100.692   10.046 6.745010 12.89528 
1 1 1    4   19    1 o  142.262   5.5601  137.808   10.644  135.294   14.177  141.055   16.113  140.836   7.4285  143.688   8.2751 -2.852020 11.12020 
1 1 1    4   19    2 o  105.210   6.4304   77.369   8.9473   85.768   11.876   66.343   13.606  112.092   7.8184   98.328   10.211 13.76394 12.86072 
1 1 1    4   19    3 o   60.299   9.5717   26.052   7.5490   25.647   9.8801   26.621   11.701   59.867   12.578   60.730   14.431 -0.8630562 19.14338 
1 1 1    4   19    4 o   74.097   8.4839   41.184   7.7807   51.843   10.295   26.989   11.881   87.063   8.7262   61.132   14.552 25.93143 16.96773 
1 1 1    4   19    5 o   51.305   10.189   18.311   7.2671   16.007   9.3468   21.832   11.555   47.517   13.738   55.093   15.051 -7.576641 20.37814 
1 1 1    4   19    6 o  119.453   6.0175   95.752   9.6453   84.463   12.619  111.613   14.958  111.159   8.3773  127.746   8.6407 -16.58668 12.03499 
1 1 1    4   19    7 o   88.626   6.9607   52.539   8.2551   44.226   10.751   64.481   12.886   80.293   9.8807   96.960   9.8071 -16.66736 13.92150 
1 1 1    4   19    8 o  173.025   5.2837  204.332   12.309  204.487   16.502  204.138   18.479  173.170   7.0322  172.880   7.8877 0.2895966 10.56733 
1 1 1    4   19    9 o  108.400   6.3664   82.077   9.1510   91.719   12.254   69.920   13.760  115.884   7.8031  100.915   10.062 14.96861 12.73276 
1 1 1    4   19   10 o   39.819   11.020   6.0634   7.7334   4.3821   8.9690   10.936   15.269   33.532   13.283   46.106   17.587 -12.57399 22.03945 
1 1 1    4   19   11 o   69.567   9.9679   32.871   9.2880   53.996   14.443   17.975   12.128   88.400   12.057   50.734   15.877 37.66610 19.93588 
1 1 1    4   19   12 o  139.374   6.7831  140.211   10.476  145.937   11.945  121.131   21.804  146.392   6.0214  132.355   12.157 14.03625 13.56614 
1 1 1    4   19   13 o   57.984   10.594   23.144   7.1515   22.564   7.9891   25.482   16.043   56.326   10.860   59.643   18.193 -3.316818 21.18815 
1 1 1    4   19   14 o  107.154   7.1603   74.916   8.4732   72.150   9.4611   86.121   19.046  102.848   6.7884  111.460   12.609 -8.612328 14.32057 
1 1 1    4   19   15 o   59.576   10.369   21.890   7.0767   18.902   7.9174   33.765   15.781   51.313   11.652   67.839   17.156 -16.52589 20.73832 
1 1 1    4   19   16 o  119.382   7.1260  103.193   9.3048  107.195   10.556   89.249   19.704  125.410   6.2113  113.353   12.827 12.05759 14.25208 
1 1 1    4   19   17 o  114.793   7.1962   92.662   9.1937   94.203   10.431   87.298   19.463  117.516   6.5499  112.070   12.816 5.445229 14.39233 
1 1 1    4   19   18 o   99.730   8.2198   73.937   9.7628   81.213   11.715   57.397   17.663  108.927   7.9364   90.533   14.397 18.39419 16.43970 
1 1 1    4   19   19 o   79.888   9.3501   46.308   8.8306   47.840   10.515   42.640   16.268   83.427   9.3005   76.350   16.223 7.077408 18.70019 
1 1 1    4   19   20 o   64.512   10.506   29.510   8.3380   28.477   9.8634   32.096   15.608   63.077   11.977   65.947   17.263 -2.870419 21.01110 
1 1 1    4   19   21 o  174.286   6.0657  204.589   12.031  201.343   13.655  215.850   25.433  171.856   5.8633  176.716   10.620 -4.860062 12.13146 
1 1 1    4   19   22 o  143.064   6.4880  142.268   10.465  143.468   11.907  138.191   21.942  145.022   6.0586  141.106   11.475 3.915894 12.97598 
1 1 1    4   19   23 o  124.488   6.9102  109.639   9.7094  112.001   11.093  101.901   20.077  128.068   6.3918  120.907   12.254 7.160759 13.82048 
1 1 1    4   19   24 o   99.319   7.9942   71.880   8.8502   74.779   10.121   62.461   18.241  104.524   7.1456   94.113   14.303 10.41078 15.98836 
1 1 1    4   19   25 o   94.631   9.0850   74.345   8.8054   84.484   10.226   45.258   17.319  111.134   6.7898   78.128   16.854 33.00600 18.16992 
1 1 1    4   19   26 o  109.875   7.6086   91.059   9.1953   97.440   10.561   71.056   18.698  119.372   6.5284  100.378   13.746 18.99415 15.21718 
1 1 1    4   19   27 o  114.106   6.8600   88.455   9.0197   86.999   10.296   93.256   18.700  112.738   6.7396  115.474   11.950 -2.736046 13.71994 
1 1 1    4   19   28 o   72.165   8.5180   35.889   8.3300   35.889   8.3300   0.0000   0.0000   72.165   8.5180  ?   ?       ?      ? 
1 1 1    4   19   29 o   33.948   12.480   6.6529   7.5406   6.6529   7.5406   0.0000   0.0000   33.948   12.480  ?   ?       ?      ? 
1 1 1    4   19   30 o  103.383   7.3994   79.577   8.5957   84.469   9.9266   64.916   17.186  111.031   6.5974   95.736   13.247 15.29491 14.79876 
1 1 1    4   19   31 o   62.099   9.7084   26.398   7.1040   24.313   8.1786   32.807   14.337   58.143   10.777   66.055   16.152 -7.912415 19.41684 
1 1 1    4   19   32 o  174.473   6.0458  214.894   12.165  219.126   14.022  202.018   24.460  178.984   5.7811  169.962   10.620 9.021545 12.09157 
1 1 1    4   19   33 o   57.398   9.6886   27.094   6.9658   30.706   7.9850   15.591   14.249   66.542   8.8551   48.254   17.236 18.28792 19.37720 
1 1 1    4   19   34 o   53.531   9.6331   22.966   6.7519   25.981   7.7608   13.578   13.694   61.082   9.3759   45.979   16.831 15.10272 19.26621 
1 1 1    4   19   35 f  135.953   6.2797  126.280   9.8265  124.293   11.217  132.836   20.376  134.597   6.1498  137.309   10.951 -2.712250 12.55932 
1 1 1    4   19   36 o   86.071   7.8648   52.906   7.8084   53.450   8.9915   51.237   15.748   87.945   7.5446   84.198   13.802 3.747696 15.72954 
1 1 1    4   19   37 o   38.471   10.004   8.9585   6.3445   8.8351   7.4495   9.2845   12.106   36.320   12.501   40.623   15.621 -4.302963 20.00717 
1 1 1    4   19   38 o   36.129   9.9149   7.0593   6.5580   8.2766   7.6788   3.7783   12.606   35.721   12.664   36.536   15.259 -0.8150597 19.82981 
1 1 1    4   19   39 f   56.865   13.804   24.473   10.530   24.473   10.530   0.0000   0.0000   56.865   13.804  ?   ?       ?      ? 
1 1 1    4   19   40 o   43.103   14.705   13.217   10.303   13.217   10.303   0.0000   0.0000   43.103   14.705  ?   ?       ?      ? 
1 1 1    4   19   41 o   44.928   10.332   10.853   7.7423   1.8734   9.6801   26.796   12.898   31.312   13.241   58.543   15.864 -27.23097 20.66362 
1 1 1    4   19   42 o   45.846   10.736   15.352   7.6516   13.928   9.8752   17.492   12.104   43.547   14.392   48.145   15.935 -4.598259 21.47205 
1 1 1    4   19   43 o   91.109   7.8405   59.836   9.2833   60.035   11.636   59.487   15.397   92.107   9.3225   90.111   12.609 1.995842 15.68094 
1 1 1    4   19   44 o   50.092   10.775   18.775   7.7631   16.069   9.7590   23.438   12.811   45.893   14.222   54.291   16.190 -8.398605 21.54970 
1 1 1    4   19   45 o   31.471   9.3122  -3.1599   7.0977 -11.7914   8.9647   11.339   11.619   21.705   10.433   41.237   15.428 -19.53151 18.62432 
1 1 1    4   19   46 o   44.094   10.811   12.795   8.9696  -0.1382   13.273   23.666   12.169   33.842   14.903   54.346   15.665 -20.50382 21.62110 
1 1 1    4   19   47 f   51.919   11.305   21.451   9.3376   11.682   13.511   30.383   12.919   42.398   16.447   61.440   15.514 -19.04197 22.60952 
1 1 1    4   19   48 o   67.905   16.065   37.537   14.552   37.537   14.552   0.0000   0.0000   67.905   16.065  ?   ?       ?      ? 
1 1 1    4   19   49 o   40.279   15.794   10.186   12.562   10.186   12.562   0.0000   0.0000   40.279   15.794  ?   ?       ?      ? 
1 1 1    4   19   50 o   48.766   13.832   18.850   9.5629   18.850   9.5629   0.0000   0.0000   48.766   13.832  ?   ?       ?      ? 
1 1 1    4   19   51 o   32.949   13.346   5.1994   9.2640   5.1994   9.2640   0.0000   0.0000   32.949   13.346  ?   ?       ?      ? 
1 1 1    4   19   52 o   26.739   11.951  -1.8002   8.8599  -1.8002   8.8599   0.0000   0.0000   26.739   11.951  ?   ?       ?      ? 
1 1 1    4   19   53 o   31.958   13.122   4.4503   9.1060   4.4503   9.1060   0.0000   0.0000   31.958   13.122  ?   ?       ?      ? 
1 1 1    4   19   54 o   25.940   11.653  -2.1127   8.5372  -2.1127   8.5372   0.0000   0.0000   25.940   11.653  ?   ?       ?      ? 
1 1 1    4   19   55 o   29.816   12.568   2.7502   8.6747   2.7502   8.6747   0.0000   0.0000   29.816   12.568  ?   ?       ?      ? 
1 1 1    4   19   56 o   48.020   13.487   18.694   9.1385   18.694   9.1385   0.0000   0.0000   48.020   13.487  ?   ?       ?      ? 
1 1 1    4   19   57 o   62.465   16.704   34.269   14.414   34.269   14.414   0.0000   0.0000   62.465   16.704  ?   ?       ?      ? 
1 1 1    4   19   58 o   51.165   17.056   23.420   13.857   23.420   13.857   0.0000   0.0000   51.165   17.056  ?   ?       ?      ? 
1 1 1    4   19   59 o   48.323   17.093   20.912   13.983   20.912   13.983   0.0000   0.0000   48.323   17.093  ?   ?       ?      ? 
1 1 1    4   19   60 o   64.982   11.723   33.389   9.9434   33.389   9.9434   0.0000   0.0000   64.982   11.723  ?   ?       ?      ? 
1 1 1    4   19   61 o   16.516   8.2378 -17.4334   7.4516 -17.4334   7.4516   0.0000   0.0000   16.516   8.2378  ?   ?       ?      ? 
1 1 1    4   19   62 o   37.719   13.429   11.556   8.6437   11.556   8.6437   0.0000   0.0000   37.719   13.429  ?   ?       ?      ? 
1 1 1    4   19   63 o   60.759   11.653   29.960   9.2456   29.960   9.2456   0.0000   0.0000   60.759   11.653  ?   ?       ?      ? 
1 1 1    4   19   64 o   25.061   11.322  -1.1306   8.1942  -1.1306   8.1942   0.0000   0.0000   25.061   11.322  ?   ?       ?      ? 
1 1 1    4   19   65 o   43.345   13.535   16.914   8.8200   16.914   8.8200   0.0000   0.0000   43.345   13.535  ?   ?       ?      ? 
1 1 1    4   19   66 o   46.544   15.583   21.757   11.566   21.757   11.566   0.0000   0.0000   46.544   15.583  ?   ?       ?      ? 
1 1 1    4   20    0 f   84.802   7.3700   49.885   8.3756   51.058   11.133   48.355   12.714   86.089   9.5427   83.515   11.234 2.574471 14.73994 
1 1 1    4   20    1 o   59.089   9.6494   24.741   7.5523   19.900   9.9338   31.373   11.626   52.339   13.807   65.838   13.484 -13.49872 19.29872 
1 1 1    4   20    2 o   77.428   7.9304   41.188   8.1901   39.508   10.589   43.689   12.921   75.615   10.334   79.242   12.032 -3.626724 15.86087 
1 1 1    4   20    3 o  239.152   5.2993  393.575   17.083  420.831   23.561  363.366   24.805  248.081   7.0084  230.222   7.9507 17.85930 10.59864 
1 1 1    4   20    4 o   55.075   12.048   19.735   9.0375   16.913   10.544   27.548   17.545   48.690   14.726   61.459   19.073 -12.76979 24.09675 
1 1 1    4   20    5 o   40.247   11.114   7.1892   8.9699   1.6749   13.647   11.383   11.902   37.151   15.717   43.343   15.718 -6.191845 22.22769 
1 1 1    4   20    6 o  127.124   7.6142  118.154   12.325   88.194   19.452  138.252   15.932  112.339   12.778  141.910   8.2845 -29.57053 15.22835 
1 1 1    4   20    7 o  139.849   7.0488  136.389   12.935  129.526   20.791  140.723   16.522  136.593   11.232  143.106   8.5196 -6.512772 14.09759 
1 1 1    4   20    8 o   41.959   10.930   8.7856   9.0393  -3.7843   14.244   17.262   11.696   34.501   15.303   49.417   15.610 -14.91579 21.85966 
1 1 1    4   20    9 o  101.681   10.103   71.489   13.921   0.0000   0.0000   71.489   13.921  ?   ?   101.681   10.103      ?      ? 
1 1 1    4   20   10 o  175.103   7.9854  210.456   18.948   0.0000   0.0000  210.456   18.948  ?   ?   175.103   7.9854      ?      ? 
1 1 1    4   20   11 o   93.117   9.0930   61.785   10.892   57.270   18.147   64.327   13.617   89.883   14.898   96.351   10.429 -6.468109 18.18596 
1 1 1    4   20   12 o   59.829   11.335   26.529   8.7926   27.222   10.348   24.728   16.674   61.250   12.876   58.408   18.658 2.841644 22.66969 
1 1 1    4   20   13 f  183.853   6.1676  216.362   12.625  204.950   14.094  262.689   28.397  173.243   6.0035  194.464   10.776 -21.22115 12.33523 
1 1 1    4   20   14 o  109.560   7.5337   83.751   9.0075   84.024   10.117   82.704   19.782  110.802   6.7380  108.317   13.477 2.484596 15.06741 
1 1 1    4   20   15 f   46.617   9.8677   17.395   6.8524   21.381   7.6308   0.7935   15.573   54.583   10.699   38.651   16.584 15.93184 19.73530 
1 1 1    4   20   16 o   74.064   9.9613   52.338   7.9239   62.141   9.0095   18.853   16.650   95.226   6.9817   52.902   18.659 42.32356 19.92262 
1 1 1    4   20   17 o  143.673   6.4591  139.732   10.416  137.460   11.760  148.003   22.439  141.797   6.1199  145.548   11.376 -3.751770 12.91813 
1 1 1    4   20   18 o   48.642   10.874   13.157   6.7303   10.189   7.4862   25.669   15.370   38.515   12.521   58.769   17.781 -20.25412 21.74723 
1 1 1    4   20   19 o   40.198   10.374   9.8418   6.4980   10.540   7.2847   7.1210   14.375   38.875   12.323   41.522   16.692 -2.646721 20.74827 
1 1 1    4   20   20 o   78.570   9.2702   46.520   7.6497   48.108   8.6357   40.735   16.486   83.625   7.6204   73.515   16.902 10.10956 18.54043 
1 1 1    4   20   21 o   65.189   9.4172   29.489   8.3191   29.489   8.3191   0.0000   0.0000   65.189   9.4172  ?   ?       ?      ? 
1 1 1    4   20   22 f   56.713   10.852   23.200   8.0364   23.200   8.0364   0.0000   0.0000   56.713   10.852  ?   ?       ?      ? 
1 1 1    4   20   23 o  101.846   8.2949   71.696   11.448   71.696   11.448   0.0000   0.0000  101.846   8.2949  ?   ?       ?      ? 
1 1 1    4   20   24 o   58.403   10.378   21.920   6.9823   19.129   7.8152   32.960   15.543   51.162   11.546   65.644   17.248 -14.48251 20.75629 
1 1 1    4   20   25 o   88.024   9.1353   64.614   8.1940   72.128   9.4269   41.393   16.573  102.433   6.7912   73.615   16.962 28.81822 18.27067 
1 1 1    4   20   26 o   63.915   9.3521   39.555   7.4118   49.353   8.5257   9.2332   14.998   84.583   7.4381   43.246   17.162 41.33640 18.70419 
1 1 1    4   20   27 o   51.414   10.428   17.235   6.6966   14.774   7.6065   25.714   14.119   44.815   12.198   58.013   16.918 -13.19777 20.85667 
1 1 1    4   20   28 o   41.076   9.9836   11.813   6.4164   13.485   7.3731   6.5962   13.025   42.880   12.140   39.271   15.853 3.609230 19.96725 
1 1 1    4   20   29 o   44.215   10.428   11.700   6.4791   9.1573   7.4094   19.962   13.355   36.719   12.471   51.712   16.717 -14.99375 20.85630 
1 1 1    4   20   30 o   63.070   9.4576   34.247   7.1938   40.071   8.4169   18.461   13.857   75.926   8.1804   50.213   17.055 25.71325 18.91524 
1 1 1    4   20   31 o   81.752   7.6740   43.552   7.3660   39.991   8.3797   55.657   15.450   75.814   8.1563   87.689   13.001 -11.87513 15.34808 
1 1 1    4   20   32 o   56.010   9.3352   16.923   6.5249   9.3255   7.4335   42.429   13.620   36.820   12.491   75.200   13.876 -38.37976 18.67050 
1 1 1    4   20   33 o   41.964   9.1156   13.965   6.3335   19.013   7.3396  -0.7560   12.533   50.758   10.989   33.170   14.547 17.58726 18.23113 
1 1 1    4   20   34 o   48.732   9.9791   18.202   6.4933   18.972   7.4922   15.877   13.016   50.572   11.225   46.892   16.502 3.680141 19.95811 
1 1 1    4   20   35 o   50.131   10.905   18.338   7.9101   15.124   9.8896   24.046   13.179   44.990   14.369   55.273   16.407 -10.28263 21.80935 
1 1 1    4   20   36 o   59.905   11.797   28.695   9.9520   26.572   14.086   30.810   14.062   57.645   16.923   62.165   16.440 -4.519997 23.59384 
1 1 1    4   20   37 o   55.081   11.561   24.222   9.4989   17.892   13.761   29.984   13.128   48.657   16.977   61.506   15.698 -12.84822 23.12255 
1 1 1    4   20   38 o   44.971   11.635   14.411   9.2489   14.224   13.370   14.582   12.808   44.928   16.601   45.015   16.308 -0.8704758E-01 23.27086 
1 1 1    4   20   39 o   35.380   10.479   2.9994   8.8198  -4.5200   13.037   9.3448   11.976   31.169   14.161   39.592   15.450 -8.423012 20.95779 
1 1 1    4   20   40 o   39.534   11.066   8.6430   8.9652   4.2316   13.039   12.599   12.347   36.399   15.379   42.669   15.916 -6.270107 22.13189 
1 1 1    4   20   41 o   84.843   10.447   57.117   11.321   36.790   15.866   78.201   16.159   66.452   17.410  103.233   11.551 -36.78189 20.89307 
1 1 1    4   20   42 o   32.502   9.8171   2.5423   7.3744   3.1027   9.0853   1.4601   12.625   31.073   12.964   33.931   14.746 -2.857885 19.63412 
1 1 1    4   20   43 o   43.066   14.040   14.246   9.4101   14.246   9.4101   0.0000   0.0000   43.066   14.040  ?   ?       ?      ? 
1 1 1    4   20   44 f   51.046   13.591   20.596   9.5685   20.596   9.5685   0.0000   0.0000   51.046   13.591  ?   ?       ?      ? 
1 1 1    4   20   45 o   38.601   13.792   10.715   9.1253   10.715   9.1253   0.0000   0.0000   38.601   13.792  ?   ?       ?      ? 
1 1 1    4   20   46 o   51.237   13.574   20.894   9.5752   20.894   9.5752   0.0000   0.0000   51.237   13.574  ?   ?       ?      ? 
1 1 1    4   20   47 o   37.200   13.857   9.4826   9.3529   9.4826   9.3529   0.0000   0.0000   37.200   13.857  ?   ?       ?      ? 
1 1 1    4   20   48 o   23.405   10.920  -6.2089   8.5176  -6.2089   8.5176   0.0000   0.0000   23.405   10.920  ?   ?       ?      ? 
1 1 1    4   20   49 o   53.742   13.389   23.133   9.7149   23.133   9.7149   0.0000   0.0000   53.742   13.389  ?   ?       ?      ? 
1 1 1    4   20   50 o   51.164   13.370   21.078   9.3724   21.078   9.3724   0.0000   0.0000   51.164   13.370  ?   ?       ?      ? 
1 1 1    4   20   51 o   26.833   11.805  -0.2249   8.3107  -0.2249   8.3107   0.0000   0.0000   26.833   11.805  ?   ?       ?      ? 
1 1 1    4   20   52 o   40.358   15.635   11.824   12.197   11.824   12.197   0.0000   0.0000   40.358   15.635  ?   ?       ?      ? 
1 1 1    4   20   53 o   28.526   13.089  -3.9420   11.504  -3.9420   11.504   0.0000   0.0000   28.526   13.089  ?   ?       ?      ? 
1 1 1    4   20   54 o   36.731   15.195   7.8465   12.331   7.8465   12.331   0.0000   0.0000   36.731   15.195  ?   ?       ?      ? 
1 1 1    4   20   55 o   28.610   12.199   2.4304   8.3332   2.4304   8.3332   0.0000   0.0000   28.610   12.199  ?   ?       ?      ? 
1 1 1    4   20   56 o   31.564   12.731   5.7519   8.3922   5.7519   8.3922   0.0000   0.0000   31.564   12.731  ?   ?       ?      ? 
1 1 1    4   20   57 o   39.047   13.346   12.573   8.4857   12.573   8.4857   0.0000   0.0000   39.047   13.346  ?   ?       ?      ? 
1 1 1    4   20   58 o   57.352   12.145   27.023   9.1451   27.023   9.1451   0.0000   0.0000   57.352   12.145  ?   ?       ?      ? 
1 1 1    4   20   59 o   22.173   10.406  -5.3109   7.9261  -5.3109   7.9261   0.0000   0.0000   22.173   10.406  ?   ?       ?      ? 
1 1 1    4   20   60 o   26.561   11.759   0.7734   8.3735   0.7734   8.3735   0.0000   0.0000   26.561   11.759  ?   ?       ?      ? 
1 1 1    4   20   61 o   21.154   10.038  -6.2679   7.7563  -6.2679   7.7563   0.0000   0.0000   21.154   10.038  ?   ?       ?      ? 
1 1 1    4   21    0 o   68.095   11.614   35.179   10.372   35.891   13.115   33.989   16.949   69.631   14.375   66.558   18.247 3.073326 23.22885 
1 1 1    4   21    1 o   34.258   10.362  -1.2051   9.1898   7.1744   11.573 -15.5075   15.119   38.621   15.155   29.895   14.136 8.726133 20.72384 
1 1 1    4   21    2 o   37.906   10.749   3.8347   7.4743   0.8781   8.6121   12.859   15.046   29.387   12.462   46.425   17.518 -17.03794 21.49864 
1 1 1    4   21    3 o   92.183   9.6612   68.869   9.7803   78.125   11.620   46.382   18.112  106.378   8.0607   77.988   17.561 28.38997 19.32248 
1 1 1    4   21    4 o   72.259   8.3465   38.018   7.7662   41.352   10.235   33.494   11.923   77.043   9.8034   67.474   13.511 9.568390 16.69310 
1 1 1    4   21    5 o  115.616   8.0395   92.304   12.596   92.304   12.596   0.0000   0.0000  115.616   8.0395  ?   ?       ?      ? 
1 1 1    4   21    6 o   68.058   8.8349   34.471   7.7291   39.398   10.182   27.770   11.873   75.137   9.9997   60.978   14.568 14.15983 17.66975 
1 1 1    4   21    7 o   41.978   9.6931   12.062   6.9194   18.152   8.9918   3.2200   10.835   49.585   13.162   34.371   14.233 15.21482 19.38620 
1 1 1    4   21    8 o   48.650   10.080   17.730   7.1489   20.451   9.2599   13.716   11.248   52.584   13.055   44.717   15.363 7.866714 20.16071 
1 1 1    4   21    9 o  150.989   5.4725  155.446   11.100  143.691   14.578  171.663   17.123  144.380   7.4507  157.597   8.0175 -13.21680 10.94504 
1 1 1    4   21   10 o   42.222   10.276   11.729   6.9989   9.9841   8.9828   14.425   11.165   39.043   13.711   45.401   15.309 -6.357937 20.55174 
1 1 1    4   21   11 o   40.738   10.676   10.343   7.4654   12.275   8.6359   4.6307   14.851   41.654   13.440   39.821   16.591 1.833668 21.35174 
1 1 1    4   21   12 o   38.486   10.562   7.2898   6.4100   6.8951   7.0584   9.1470   15.310   33.542   12.113   43.429   17.306 -9.887135 21.12420 
1 1 1    4   21   13 o   85.938   7.5672   51.003   8.8126   51.003   8.8126   0.0000   0.0000   85.938   7.5672  ?   ?       ?      ? 
1 1 1    4   21   14 o   63.641   9.1809   28.237   7.9178   28.237   7.9178   0.0000   0.0000   63.641   9.1809  ?   ?       ?      ? 
1 1 1    4   21   15 o   50.256   11.377   18.542   7.5682   18.542   7.5682   0.0000   0.0000   50.256   11.377  ?   ?       ?      ? 
1 1 1    4   21   16 f   32.778   9.9568   1.9729   6.5034   2.3723   7.2037   0.2128   15.121   28.443   11.674   37.112   16.133 -8.668945 19.91357 
1 1 1    4   21   17 f  115.556   7.2831   96.317   9.0947   98.005   10.229   89.951   19.867  119.389   6.3227  111.723   13.122 7.666023 14.56623 
1 1 1    4   21   18 o   47.372   9.8370   18.657   6.8180   22.395   7.6065   3.3809   15.377   55.529   10.493   39.215   16.642 16.31330 19.67392 
1 1 1    4   21   19 o   48.457   10.328   17.974   6.7088   19.238   7.5162   13.016   14.880   51.156   11.156   45.759   17.384 5.397152 20.65603 
1 1 1    4   21   20 o   39.532   10.094   10.387   6.4217   11.812   7.2521   5.2099   13.820   40.281   12.220   38.783   16.069 1.497669 20.18720 
1 1 1    4   21   21 o   70.587   9.3167   35.107   7.2647   33.791   8.2003   39.908   15.661   69.540   8.7018   71.634   16.477 -2.093956 18.63348 
1 1 1    4   21   22 o   64.794   9.8091   31.982   7.0767   32.571   7.9636   29.773   15.430   68.264   8.6087   61.323   17.629 6.940220 19.61826 
1 1 1    4   21   23 o   79.235   8.0109   39.390   7.4267   34.588   8.3847   56.876   16.000   70.260   8.8064   88.211   13.385 -17.95095 16.02182 
1 1 1    4   21   24 o   86.514   7.5467   46.477   7.5928   40.776   8.5456   67.852   16.547   76.402   8.2538   96.627   12.637 -20.22424 15.09343 
1 1 1    4   21   25 o   44.280   10.226   14.459   6.4703   15.252   7.3245   11.641   13.806   45.157   11.828   43.403   16.684 1.754295 20.45124 
1 1 1    4   21   26 o   58.038   9.3965   29.805   6.7869   34.620   7.7727   14.351   13.925   70.352   8.1528   45.724   16.932 24.62890 18.79292 
1 1 1    4   21   27 o   36.011   9.8410   7.1869   6.0821   7.1835   6.9490   7.1980   12.575   33.403   12.025   38.619   15.581 -5.215599 19.68200 
1 1 1    4   21   28 o   45.921   10.127   13.062   6.2951   9.4943   7.2392   24.126   12.749   36.666   12.328   55.176   16.071 -18.51046 20.25477 
1 1 1    4   21   29 o   39.825   10.276   7.9036   7.1928   2.3973   8.8255   18.796   12.413   30.394   12.737   49.256   16.129 -18.86250 20.55153 
1 1 1    4   21   30 o   39.943   10.498   10.459   7.3309   10.373   9.0403   10.623   12.528   38.693   13.738   41.193   15.877 -2.499844 20.99557 
1 1 1    4   21   31 f   61.899   9.6003   33.988   8.2232   45.611   10.236   12.835   13.809   80.015   9.4402   43.783   16.720 36.23258 19.20061 
1 1 1    4   21   32 o   96.543   7.7555   67.068   9.5037   65.937   11.562   69.425   16.687   96.425   8.8483   96.660   12.740 -0.2343445 15.51100 
1 1 1    4   21   33 o   33.091   9.8773   3.3195   7.3015   4.0012   8.9377   1.9516   12.660   31.777   13.018   34.405   14.858 -2.628027 19.75464 
1 1 1    4   21   34 o   31.003   9.3972   1.2982   7.1960   5.0810   9.0358  -5.2608   11.898   32.845   13.223   29.162   13.356 3.682442 18.79430 
1 1 1    4   21   35 o   80.582   8.9285   50.889   8.7971   55.500   10.997   42.693   14.661   88.105   9.2105   73.059   15.298 15.04623 17.85703 
1 1 1    4   21   36 o   37.640   10.149   6.4412   7.1768   1.0388   8.8670   16.702   12.220   29.007   12.481   46.273   16.007 -17.26614 20.29767 
1 1 1    4   21   37 o   33.884   13.380   6.2792   9.0749   6.2792   9.0749   0.0000   0.0000   33.884   13.380  ?   ?       ?      ? 
1 1 1    4   21   38 o   47.489   13.754   17.863   9.3609   17.863   9.3609   0.0000   0.0000   47.489   13.754  ?   ?       ?      ? 
1 1 1    4   21   39 o   39.687   13.786   11.710   9.0691   11.710   9.0691   0.0000   0.0000   39.687   13.786  ?   ?       ?      ? 
1 1 1    4   21   40 f   32.973   13.112   5.8216   8.7720   5.8216   8.7720   0.0000   0.0000   32.973   13.112  ?   ?       ?      ? 
1 1 1    4   21   41 o   25.416   11.380  -1.9097   8.0714  -1.9097   8.0714   0.0000   0.0000   25.416   11.380  ?   ?       ?      ? 
1 1 1    4   21   42 o   37.662   13.549   10.254   8.8206   10.254   8.8206   0.0000   0.0000   37.662   13.549  ?   ?       ?      ? 
1 1 1    4   21   43 o   58.795   16.603   29.696   13.810   29.696   13.810   0.0000   0.0000   58.795   16.603  ?   ?       ?      ? 
1 1 1    4   21   44 f   28.419   13.116  -5.3979   11.788  -5.3979   11.788   0.0000   0.0000   28.419   13.116  ?   ?       ?      ? 
1 1 1    4   21   45 o   31.876   13.994   1.1182   11.626   1.1182   11.626   0.0000   0.0000   31.876   13.994  ?   ?       ?      ? 
1 1 1    4   21   46 o   29.489   13.294  -1.8591   11.229  -1.8591   11.229   0.0000   0.0000   29.489   13.294  ?   ?       ?      ? 
1 1 1    4   21   47 o   32.679   14.090   3.0890   11.347   3.0890   11.347   0.0000   0.0000   32.679   14.090  ?   ?       ?      ? 
1 1 1    4   21   48 f   32.837   12.891   6.6723   8.3781   6.6723   8.3781   0.0000   0.0000   32.837   12.891  ?   ?       ?      ? 
1 1 1    4   21   49 o   35.995   13.154   9.6604   8.3588   9.6604   8.3588   0.0000   0.0000   35.995   13.154  ?   ?       ?      ? 
1 1 1    4   21   50 o   18.132   8.8862 -12.6127   7.3995 -12.6127   7.3995   0.0000   0.0000   18.132   8.8862  ?   ?       ?      ? 
1 1 1    4   21   51 o   19.617   9.4642  -9.5779   7.5429  -9.5779   7.5429   0.0000   0.0000   19.617   9.4642  ?   ?       ?      ? 
1 1 1    4   21   52 o   45.456   13.293   17.594   8.7064   17.594   8.7064   0.0000   0.0000   45.456   13.293  ?   ?       ?      ? 
1 1 1    4   21   53 o   36.505   13.044   10.760   8.1626   10.760   8.1626   0.0000   0.0000   36.505   13.044  ?   ?       ?      ? 
1 1 1    4   21   54 o   27.762   11.895   2.6318   7.9917   2.6318   7.9917   0.0000   0.0000   27.762   11.895  ?   ?       ?      ? 
1 1 1    4   21   55 o   38.694   13.198   12.941   8.2984   12.941   8.2984   0.0000   0.0000   38.694   13.198  ?   ?       ?      ? 
1 1 1    4   21   56 o   20.458   9.7546  -6.8628   7.5033  -6.8628   7.5033   0.0000   0.0000   20.458   9.7546  ?   ?       ?      ? 
1 1 1    4   22    0 o   64.692   8.7064   33.735   7.2324   46.971   9.6650   16.893   10.903   81.903   8.7080   47.481   15.079 34.42256 17.41278 
1 1 1    4   22    1 o   55.919   8.9693   24.474   6.9392   32.548   9.2307   13.981   10.523   67.813   10.045   44.025   14.862 23.78770 17.93850 
1 1 1    4   22    2 o   61.294   9.0568   29.079   7.2334   33.718   9.3275   22.079   11.457   69.037   9.9701   53.550   15.123 15.48678 18.11370 
1 1 1    4   22    3 o   50.964   10.887   16.816   7.5718   12.200   8.8785   29.129   14.500   41.220   13.648   60.708   16.967 -19.48766 21.77486 
1 1 1    4   22    4 f   77.054   9.5708   44.434   8.6825   44.857   10.251   43.360   16.331   79.768   9.4835   74.340   16.627 5.428307 19.14157 
1 1 1    4   22    5 o   86.303   9.2179   55.472   9.1556   56.169   10.728   53.605   17.564   89.474   8.8482   83.132   16.174 6.342560 18.43570 
1 1 1    4   22    6 o   75.976   9.9333   42.289   8.7336   41.254   10.111   45.329   17.334   76.379   9.7685   75.573   17.299 0.8067322 19.86655 
1 1 1    4   22    7 o   29.210   8.8972   0.2472   6.4454   3.2658   8.1348  -4.8440   10.565   30.452   12.441   27.967   12.722 2.485518 17.79431 
1 1 1    4   22    8 o   69.496   8.4005   35.533   7.5368   36.338   9.7600   34.344   11.862   71.555   10.065   67.437   13.452 4.118530 16.80091 
1 1 1    4   22    9 o   52.244   9.6156   21.260   6.8314   23.254   8.6902   18.036   11.053   55.835   11.852   48.653   15.145 7.182129 19.23110 
1 1 1    4   22   10 o   28.226   9.1526  -4.1332   6.8429  -3.8721   7.8701  -4.9421   13.853   24.176   10.991   32.276   14.638 -8.100212 18.30519 
1 1 1    4   22   11 o   46.732   9.9775   17.619   6.4012   19.598   7.0754   8.6922   15.026   51.595   10.477   41.868   16.983 9.726563 19.95492 
1 1 1    4   22   12 o   59.317   10.200   26.068   6.9090   25.745   7.6814   27.439   15.809   60.332   9.3954   58.303   18.107 2.028976 20.39945 
1 1 1    4   22   13 o  105.591   7.8270   87.245   8.6906   92.637   9.8380   68.085   18.543  115.782   6.2702   95.401   14.343 20.38110 15.65401 
1 1 1    4   22   14 o   67.127   9.9749   36.848   7.2895   38.809   8.1737   29.227   16.114   74.432   8.1035   59.822   18.230 14.61049 19.94983 
1 1 1    4   22   15 o   44.999   10.355   8.2806   6.3505   3.2820   7.0351   30.279   14.758   28.820   11.645   61.178   17.125 -32.35791 20.70904 
1 1 1    4   22   16 o   47.200   10.447   18.172   7.5109   21.493   8.6170   7.6728   15.324   53.301   12.194   41.100   16.965 12.20156 20.89313 
1 1 1    4   22   17 o  109.713   7.6151   83.729   9.9812   80.433   11.566   93.347   19.755  107.110   7.9685  112.315   12.979 -5.205948 15.23024 
1 1 1    4   22   18 o   73.259   10.026   41.712   8.4599   42.506   9.8118   39.411   16.701   77.335   9.3625   69.182   17.732 8.153236 20.05228 
1 1 1    4   22   19 o   59.734   10.589   25.200   7.7440   21.501   8.9700   36.026   15.345   53.009   12.661   66.459   16.977 -13.44968 21.17819 
1 1 1    4   22   20 o   34.379   9.8356   5.5361   7.0789   8.9913   8.1672  -4.8993   14.193   36.421   13.044   32.337   14.724 4.083561 19.67117 
1 1 1    4   22   21 o   32.632   9.7860   2.2221   6.7573   0.8267   7.9101   5.9902   12.999   27.621   11.834   37.643   15.589 -10.02255 19.57201 
1 1 1    4   22   22 o   35.294   10.528   3.7620   8.5503   2.3171   11.345   5.6615   13.008   33.235   14.204   37.353   15.542 -4.118347 21.05510 
1 1 1    4   22   23 o   36.973   10.835   5.3453   8.8057   2.8582   11.545   8.8045   13.616   33.801   14.384   40.145   16.208 -6.344307 21.67023 
1 1 1    4   22   24 o   71.228   11.068   40.842   10.369   41.681   14.130   39.863   15.264   72.585   14.865   69.870   16.402 2.715363 22.13606 
1 1 1    4   22   25 o   30.407   9.6262  -3.0796   8.3789   2.1523   11.328  -9.4002   12.451   32.961   14.143   27.852   13.062 5.109022 19.25232 
1 1 1    4   22   26 o   59.059   11.335   28.903   9.6972   37.863   13.507   19.371   13.931   68.899   14.900   49.218   17.087 19.68152 22.67053 
1 1 1    4   22   27 o   53.360   11.731   23.463   9.3503   22.937   12.631   24.101   13.907   52.884   16.146   53.835   17.023 -0.9517097 23.46208 
1 1 1    4   22   28 o   37.691   10.816   7.4590   8.6460   8.8369   11.827   5.8772   12.672   38.531   15.256   36.851   15.337 1.679974 21.63241 
1 1 1    4   22   29 o   34.144   10.309   3.1700   8.4171   2.7318   11.490   3.6775   12.365   33.363   14.278   34.925   14.875 -1.561722 20.61863 
1 1 1    4   22   30 o   45.747   11.352   16.338   8.8926   20.235   12.176   11.884   13.018   49.743   15.950   41.752   16.159 7.990952 22.70469 
1 1 1    4   22   31 o   45.626   16.276   16.325   12.703   16.325   12.703   0.0000   0.0000   45.626   16.276  ?   ?       ?      ? 
1 1 1    4   22   32 o   53.014   16.154   23.493   12.653   23.493   12.653   0.0000   0.0000   53.014   16.154  ?   ?       ?      ? 
1 1 1    4   22   33 o   35.649   14.881   5.5048   11.980   5.5048   11.980   0.0000   0.0000   35.649   14.881  ?   ?       ?      ? 
1 1 1    4   22   34 o   28.346   12.950  -4.1083   11.097  -4.1083   11.097   0.0000   0.0000   28.346   12.950  ?   ?       ?      ? 
1 1 1    4   22   35 o   34.153   13.279   7.0929   8.8236   7.0929   8.8236   0.0000   0.0000   34.153   13.279  ?   ?       ?      ? 
1 1 1    4   22   36 o   25.394   11.462  -2.4871   8.3742  -2.4871   8.3742   0.0000   0.0000   25.394   11.462  ?   ?       ?      ? 
1 1 1    4   22   37 o   36.821   13.465   9.7097   8.7614   9.7097   8.7614   0.0000   0.0000   36.821   13.465  ?   ?       ?      ? 
1 1 1    4   22   38 o   33.326   12.941   6.8545   8.3708   6.8545   8.3708   0.0000   0.0000   33.326   12.941  ?   ?       ?      ? 
1 1 1    4   22   39 o   32.350   12.816   6.0110   8.3518   6.0110   8.3518   0.0000   0.0000   32.350   12.816  ?   ?       ?      ? 
1 1 1    4   22   40 o   31.731   12.648   5.6474   8.1788   5.6474   8.1788   0.0000   0.0000   31.731   12.648  ?   ?       ?      ? 
1 1 1    4   22   41 o   55.022   12.442   24.257   9.0591   24.257   9.0591   0.0000   0.0000   55.022   12.442  ?   ?       ?      ? 
1 1 1    4   22   42 o   43.673   13.485   15.725   8.7825   15.725   8.7825   0.0000   0.0000   43.673   13.485  ?   ?       ?      ? 
1 1 1    4   22   43 o   42.481   13.458   14.918   8.6889   14.918   8.6889   0.0000   0.0000   42.481   13.458  ?   ?       ?      ? 
1 1 1    4   22   44 o   30.840   12.526   5.1668   8.1857   5.1668   8.1857   0.0000   0.0000   30.840   12.526  ?   ?       ?      ? 
1 1 1    4   22   45 o   33.462   12.726   7.9326   7.9797   7.9326   7.9797   0.0000   0.0000   33.462   12.726  ?   ?       ?      ? 
1 1 1    4   22   46 o   52.273   12.400   22.600   8.6508   22.600   8.6508   0.0000   0.0000   52.273   12.400  ?   ?       ?      ? 
1 1 1    4   22   47 f   23.479   10.768  -2.8970   7.7711  -2.8970   7.7711   0.0000   0.0000   23.479   10.768  ?   ?       ?      ? 
1 1 1    4   22   48 o   35.626   13.150   10.157   8.3851   10.157   8.3851   0.0000   0.0000   35.626   13.150  ?   ?       ?      ? 
1 1 1    4   22   49 o   29.514   12.255   4.6769   8.0628   4.6769   8.0628   0.0000   0.0000   29.514   12.255  ?   ?       ?      ? 
1 1 1    4   22   50 o   41.335   13.181   15.151   8.3244   15.151   8.3244   0.0000   0.0000   41.335   13.181  ?   ?       ?      ? 
1 1 1    4   22   51 o   26.430   11.584   1.6517   7.9376   1.6517   7.9376   0.0000   0.0000   26.430   11.584  ?   ?       ?      ? 
1 1 1    4   23    0 o   43.924   9.7110   13.255   6.5861   7.4550   8.4251   22.370   10.561   34.696   13.105   53.152   14.334 -18.45601 19.42204 
1 1 1    4   23    1 o   37.802   9.7389   8.2419   6.5296   3.7511   8.3136   15.473   10.549   30.749   12.571   44.855   14.878 -14.10622 19.47788 
1 1 1    4   23    2 o   40.821   9.5034   12.599   6.3924   16.443   8.2082   6.6736   10.190   46.156   12.717   35.487   14.126 10.66853 19.00682 
1 1 1    4   23    3 o   33.519   9.4761   5.4337   6.3738   4.4603   8.1385   6.9778   10.250   31.222   12.557   35.815   14.196 -4.593138 18.95230 
1 1 1    4   23    4 o   54.828   9.4108   23.911   6.9121   26.515   9.0304   20.228   10.741   59.222   11.667   50.434   14.769 8.787968 18.82170 
1 1 1    4   23    5 o   28.255   8.6721   0.4098   6.0834   1.5568   7.7758  -1.4001   9.7672   27.970   11.850   28.541   12.665 -0.5711422 17.34412 
1 1 1    4   23    6 o   29.253   8.5434   1.4032   6.0591   7.3278   7.6751  -8.3976   9.8715   33.870   12.565   24.637   11.579 9.232708 17.08670 
1 1 1    4   23    7 o   32.748   9.0272   1.1088   6.2654  -6.4639   7.8847   14.083   10.320   22.358   10.457   43.137   14.718 -20.77963 18.05434 
1 1 1    4   23    8 o   31.966   9.0454   4.5222   6.2037   8.3079   7.8702  -1.6895   10.081   35.180   12.778   28.752   12.807 6.427418 18.09087 
1 1 1    4   23    9 o   34.039   9.4342   5.3359   6.3641   1.6510   8.2188   10.854   10.057   28.644   12.162   39.434   14.426 -10.79000 18.86835 
1 1 1    4   23   10 o   37.112   9.1787   10.241   6.1008   14.091   6.7942  -5.7805   13.861   42.992   11.455   31.232   14.345 11.75947 18.35744 
1 1 1    4   23   11 o   31.934   8.4723   5.4238   5.8523   11.064   6.4667 -20.0975   13.756   38.333   11.519   25.534   12.427 12.79940 16.94456 
1 1 1    4   23   12 o   29.976   9.3239   1.5348   5.8146   2.4295   6.3306  -3.2915   14.703   26.610   10.935   33.341   15.105 -6.731640 18.64788 
1 1 1    4   23   13 o   53.499   10.001   25.606   7.8428   30.973   9.0496   9.4118   15.720   65.319   10.224   41.679   17.192 23.64048 20.00188 
1 1 1    4   23   14 o   32.875   8.9649   4.3931   6.8088   12.070   7.9103 -17.5571   13.376   39.930   12.861   25.821   12.493 14.10907 17.92979 
1 1 1    4   23   15 o   43.369   10.624   9.8392   7.2161   4.0522   8.3960   26.198   14.116   30.968   12.644   55.771   17.076 -24.80290 21.24735 
1 1 1    4   23   16 o   38.820   10.602   9.6337   7.3555   9.7700   8.6120   9.2662   14.142   37.241   13.389   40.400   16.443 -3.158871 21.20440 
1 1 1    4   23   17 o   60.199   10.786   28.376   8.1100   26.862   9.4966   32.453   15.588   59.016   12.274   61.382   17.740 -2.366108 21.57230 
1 1 1    4   23   18 o   28.130   9.0526  -2.7929   6.6805  -3.1434   7.7824  -1.8112   13.023   24.145   10.959   32.116   14.412 -7.970936 18.10512 
1 1 1    4   23   19 o   40.773   10.768   9.0670   7.0422   5.7170   8.0464   20.031   14.557   32.168   12.632   49.378   17.443 -17.21043 21.53691 
1 1 1    4   23   20 o   33.512   9.8944   3.5225   6.5737   1.7475   7.5704   8.9638   13.255   27.644   11.701   39.379   15.959 -11.73480 19.78874 
1 1 1    4   23   21 o   47.040   10.616   17.712   7.3130   17.898   8.7357   17.278   13.370   47.544   13.127   46.536   16.687 1.007896 21.23159 
1 1 1    4   23   22 o   62.366   10.014   32.906   7.8290   35.796   9.2595   25.660   14.662   70.188   9.7352   54.544   17.504 15.64401 20.02885 
1 1 1    4   23   23 o   32.318   9.5866   4.1227   6.7455   5.8404   7.9146  -0.4374   12.896   32.063   12.546   32.574   14.498 -0.5112801 19.17325 
1 1 1    4   23   24 o   31.799   12.428   5.7668   7.7583   5.7668   7.7583   0.0000   0.0000   31.799   12.428  ?   ?       ?      ? 
1 1 1    4   23   25 o   33.408   12.797   6.9707   8.1058   6.9707   8.1058   0.0000   0.0000   33.408   12.797  ?   ?       ?      ? 
1 1 1    4   23   26 o   46.158   13.445   17.091   8.9221   17.091   8.9221   0.0000   0.0000   46.158   13.445  ?   ?       ?      ? 
1 1 1    4   23   27 o   30.929   12.583   4.4969   8.2782   4.4969   8.2782   0.0000   0.0000   30.929   12.583  ?   ?       ?      ? 
1 1 1    4   23   28 o   57.545   12.160   25.943   9.1860   25.943   9.1860   0.0000   0.0000   57.545   12.160  ?   ?       ?      ? 
1 1 1    4   23   29 o   28.329   12.039   2.0484   8.0658   2.0484   8.0658   0.0000   0.0000   28.329   12.039  ?   ?       ?      ? 
1 1 1    4   23   30 o   25.346   11.356  -1.6527   8.0536  -1.6527   8.0536   0.0000   0.0000   25.346   11.356  ?   ?       ?      ? 
1 1 1    4   23   31 o   72.455   10.042   38.871   9.8600   38.871   9.8600   0.0000   0.0000   72.455   10.042  ?   ?       ?      ? 
1 1 1    4   23   32 o   54.994   12.572   24.253   9.1647   24.253   9.1647   0.0000   0.0000   54.994   12.572  ?   ?       ?      ? 
1 1 1    4   23   33 o   29.821   12.397   3.7035   8.2651   3.7035   8.2651   0.0000   0.0000   29.821   12.397  ?   ?       ?      ? 
1 1 1    4   23   34 o   28.030   12.165   1.2547   8.5695   1.2547   8.5695   0.0000   0.0000   28.030   12.165  ?   ?       ?      ? 
1 1 1    4   23   35 o   24.289   11.066  -2.7834   8.0321  -2.7834   8.0321   0.0000   0.0000   24.289   11.066  ?   ?       ?      ? 
1 1 1    4   23   36 o   55.323   12.257   24.769   8.9471   24.769   8.9471   0.0000   0.0000   55.323   12.257  ?   ?       ?      ? 
1 1 1    4   23   37 o   18.386   8.9719 -11.4616   7.3053 -11.4616   7.3053   0.0000   0.0000   18.386   8.9719  ?   ?       ?      ? 
1 1 1    4   23   38 o   20.110   9.6273  -8.1731   7.4658  -8.1731   7.4658   0.0000   0.0000   20.110   9.6273  ?   ?       ?      ? 
1 1 1    4   23   39 o   55.951   12.184   25.690   8.9763   25.690   8.9763   0.0000   0.0000   55.951   12.184  ?   ?       ?      ? 
1 1 1    4   23   40 o   45.203   13.294   17.625   8.6857   17.625   8.6857   0.0000   0.0000   45.203   13.294  ?   ?       ?      ? 
1 1 1    4   23   41 o   58.915   12.208   28.801   9.4264   28.801   9.4264   0.0000   0.0000   58.915   12.208  ?   ?       ?      ? 
1 1 1    4   23   42 o   30.823   12.397   6.1079   7.9335   6.1079   7.9335   0.0000   0.0000   30.823   12.397  ?   ?       ?      ? 
1 1 1    4   23   43 o   21.393   10.127  -6.0798   7.8009  -6.0798   7.8009   0.0000   0.0000   21.393   10.127  ?   ?       ?      ? 
1 1 1    4   23   44 o   21.982   10.293  -4.4945   7.6786  -4.4945   7.6786   0.0000   0.0000   21.982   10.293  ?   ?       ?      ? 
1 1 1    4   23   45 o   29.646   12.294   5.3266   8.1010   5.3266   8.1010   0.0000   0.0000   29.646   12.294  ?   ?       ?      ? 
1 1 1    4   24    0 f   30.059   8.5627   3.0260   5.8518   8.5697   7.7007  -4.5500   9.0023   35.010   12.651   25.109   11.543 9.900900 17.12537 
1 1 1    4   24    1 o   23.776   7.7098  -9.2880   5.7497 -17.0385   7.3301   3.1070   9.2698   16.643   8.2797   30.909   13.008 -14.26622 15.41961 
1 1 1    4   24    2 o   23.000   7.6067  -6.1964   5.7143  -7.0549   7.3040  -4.8421   9.1744   20.806   9.8338   25.194   11.608 -4.388306 15.21334 
1 1 1    4   24    3 o   37.296   10.273   8.9414   7.4658   8.5753   11.049   9.2490   10.128   37.293   14.752   37.299   14.301 -0.5828857E-02 20.54579 
1 1 1    4   24    4 o   28.347   8.9788  -1.8334   7.1370  -3.5231   10.221  -0.2254   9.9707   27.467   12.502   29.226   12.891 -1.758926 17.95761 
1 1 1    4   24    5 o   55.735   10.513   25.383   8.2029   31.970   12.033   19.663   11.212   62.676   14.461   48.795   15.265 13.88154 21.02693 
1 1 1    4   24    6 f   63.544   9.8099   31.095   8.4649   45.152   13.028   20.826   11.135   76.939   12.496   50.149   15.126 26.78957 19.61988 
1 1 1    4   24    7 o   31.726   13.378   3.3861   9.8367   0.0000   0.0000   3.3861   9.8367  ?   ?    31.726   13.378      ?      ? 
1 1 1    4   24    8 o   33.153   13.591   5.2085   9.7501   0.0000   0.0000   5.2085   9.7501  ?   ?    33.153   13.591      ?      ? 
1 1 1    4   24    9 o   35.952   15.386   4.5923   13.342   0.0000   0.0000   4.5923   13.342  ?   ?    35.952   15.386      ?      ? 
1 1 1    4   24   10 o   21.612   7.4810 -18.4821   7.5336 -10.7597   9.6722 -30.3934   12.012   22.935   10.974   20.290   10.170 2.645554 14.96198 
1 1 1    4   24   11 o   44.672   11.563   15.765   9.0002   15.225   11.544   16.602   14.373   43.747   15.525   45.597   17.140 -1.850723 23.12571 
1 1 1    4   24   12 o   36.947   10.798   7.0903   8.5942   6.4465   10.918   8.1390   13.935   35.170   14.396   38.725   16.097 -3.555275 21.59548 
1 1 1    4   24   13 o   31.060   9.3538   2.8730   6.8787   6.1642   8.0939  -5.6860   13.052   32.382   12.683   29.737   13.752 2.645504 18.70753 
1 1 1    4   24   14 o   51.928   9.7283   24.594   7.6315   30.380   8.9488   9.1660   14.613   64.086   10.304   39.770   16.504 24.31587 19.45665 
1 1 1    4   24   15 o   39.874   10.582   10.936   7.0476   9.6759   8.2126   14.457   13.727   36.397   13.076   43.350   16.642 -6.953289 21.16464 
1 1 1    4   24   16 o   38.027   13.136   11.027   8.2284   11.027   8.2284   0.0000   0.0000   38.027   13.136  ?   ?       ?      ? 
1 1 1    4   24   17 o   35.244   12.997   8.7832   8.1879   8.7832   8.1879   0.0000   0.0000   35.244   12.997  ?   ?       ?      ? 
1 1 1    4   24   18 o   25.087   11.089  -0.6375   7.4173  -0.6375   7.4173   0.0000   0.0000   25.087   11.089  ?   ?       ?      ? 
1 1 1    4   24   19 o   62.037   11.215   29.726   9.0811   29.726   9.0811   0.0000   0.0000   62.037   11.215  ?   ?       ?      ? 
1 1 1    4   24   20 o   51.527   12.626   21.396   8.7468   21.396   8.7468   0.0000   0.0000   51.527   12.626  ?   ?       ?      ? 
1 1 1    4   24   21 o   28.202   11.961   2.3282   7.9361   2.3282   7.9361   0.0000   0.0000   28.202   11.961  ?   ?       ?      ? 
1 1 1    4   24   22 o   43.981   13.417   15.912   8.7248   15.912   8.7248   0.0000   0.0000   43.981   13.417  ?   ?       ?      ? 
1 1 1    4   24   23 o   53.475   12.758   23.275   9.1158   23.275   9.1158   0.0000   0.0000   53.475   12.758  ?   ?       ?      ? 
1 1 1    4   24   24 o   29.919   12.444   3.8893   8.3350   3.8893   8.3350   0.0000   0.0000   29.919   12.444  ?   ?       ?      ? 
1 1 1    4   24   25 o   25.415   11.396  -1.2878   8.1262  -1.2878   8.1262   0.0000   0.0000   25.415   11.396  ?   ?       ?      ? 
1 1 1    4   24   26 o   69.482   10.745   36.860   10.117   36.860   10.117   0.0000   0.0000   69.482   10.745  ?   ?       ?      ? 
1 1 1    4   24   27 o   34.240   13.179   8.2502   8.6231   8.2502   8.6231   0.0000   0.0000   34.240   13.179  ?   ?       ?      ? 
1 1 1    4   24   28 o   31.927   12.733   6.3330   8.2940   6.3330   8.2940   0.0000   0.0000   31.927   12.733  ?   ?       ?      ? 
1 1 1    4   24   29 o   36.045   13.145   10.164   8.3422   10.164   8.3422   0.0000   0.0000   36.045   13.145  ?   ?       ?      ? 
1 1 1    4   24   30 o   45.966   13.315   18.126   8.7722   18.126   8.7722   0.0000   0.0000   45.966   13.315  ?   ?       ?      ? 
1 1 1    4   24   31 o   24.637   11.621  -6.7311   10.109  -6.7311   10.109   0.0000   0.0000   24.637   11.621  ?   ?       ?      ? 
1 1 1    4   24   32 o   25.016   11.315  -1.3851   8.2127  -1.3851   8.2127   0.0000   0.0000   25.016   11.315  ?   ?       ?      ? 
1 1 1    4   24   33 o   35.173   13.254   9.8204   8.6050   9.8204   8.6050   0.0000   0.0000   35.173   13.254  ?   ?       ?      ? 
1 1 1    4   24   34 o   29.361   12.281   4.4509   8.1838   4.4509   8.1838   0.0000   0.0000   29.361   12.281  ?   ?       ?      ? 
1 1 1    4   24   35 o   24.106   10.990  -1.7825   7.9380  -1.7825   7.9380   0.0000   0.0000   24.106   10.990  ?   ?       ?      ? 
1 1 1    4   24   36 o   36.610   13.238   11.583   8.4334   11.583   8.4334   0.0000   0.0000   36.610   13.238  ?   ?       ?      ? 
1 1 1    4   24   37 o   27.251   11.886   2.3489   8.2655   2.3489   8.2655   0.0000   0.0000   27.251   11.886  ?   ?       ?      ? 
1 1 1    4   25    0 o   41.424   10.768   9.1375   9.1139  -4.5393   12.071   27.275   13.900   28.583   13.220   54.265   16.999 -25.68122 21.53512 
1 1 1    4   25    1 o   30.640   9.4321   1.7233   7.1832   5.2104   11.442  -0.5450   9.2282   33.839   14.358   27.441   12.235 6.398348 18.86410 
1 1 1    4   25    2 o   40.882   11.078   9.6048   9.1783  -0.6155   11.897   24.633   14.426   30.465   13.714   51.299   17.401 -20.83430 22.15583 
1 1 1    4   25    3 o   33.348   10.227   2.9702   8.4313  -0.5808   10.901   8.2566   13.301   29.398   13.189   37.299   15.633 -7.901356 20.45384 
1 1 1    4   25    4 o   40.643   11.251   11.951   8.9925   7.3112   11.732   18.560   14.002   35.588   14.780   45.698   16.968 -10.10940 22.50229 
1 1 1    4   25    5 o   28.283   8.9565  -6.1191   8.1400   6.8988   10.570 -25.0906   12.760   34.416   14.135   22.150   11.004 12.26652 17.91298 
1 1 1    4   25    6 o   24.632   11.657  -8.0885   10.320  -8.0885   10.320   0.0000   0.0000   24.632   11.657  ?   ?       ?      ? 
1 1 1    4   25    7 o   28.915   9.1177  -3.9541   8.0916   6.8747   10.608 -19.0192   12.513   34.363   14.142   23.467   11.512 10.89624 18.23537 
1 1 1    4   25    8 o   28.482   12.993  -2.3961   11.117  -2.3961   11.117   0.0000   0.0000   28.482   12.993  ?   ?       ?      ? 
1 1 1    4   25    9 f   38.959   13.260   12.352   8.3764   12.352   8.3764   0.0000   0.0000   38.959   13.260  ?   ?       ?      ? 
1 1 1    4   25   10 o   35.173   13.010   9.2950   8.2161   9.2950   8.2161   0.0000   0.0000   35.173   13.010  ?   ?       ?      ? 
1 1 1    4   25   11 o   42.264   13.415   15.026   8.6303   15.026   8.6303   0.0000   0.0000   42.264   13.415  ?   ?       ?      ? 
1 1 1    4   25   12 o   34.797   13.005   9.0298   8.2523   9.0298   8.2523   0.0000   0.0000   34.797   13.005  ?   ?       ?      ? 
1 1 1    4   25   13 o   26.691   11.556   1.4148   7.6950   1.4148   7.6950   0.0000   0.0000   26.691   11.556  ?   ?       ?      ? 
1 1 1    4   25   14 f   28.324   11.986   3.0051   7.9398   3.0051   7.9398   0.0000   0.0000   28.324   11.986  ?   ?       ?      ? 
1 1 1    4   25   15 o   36.808   13.146   10.880   8.2895   10.880   8.2895   0.0000   0.0000   36.808   13.146  ?   ?       ?      ? 
1 1 1    4   25   16 o   24.951   11.268  -1.4724   8.1059  -1.4724   8.1059   0.0000   0.0000   24.951   11.268  ?   ?       ?      ? 
1 1 1    4   25   17 o   50.616   12.679   21.587   8.6785   21.587   8.6785   0.0000   0.0000   50.616   12.679  ?   ?       ?      ? 
1 1 1    4   25   18 o   34.925   13.105   9.4341   8.3946   9.4341   8.3946   0.0000   0.0000   34.925   13.105  ?   ?       ?      ? 
1 1 1    4   25   19 o   28.429   12.032   3.3399   8.0038   3.3399   8.0038   0.0000   0.0000   28.429   12.032  ?   ?       ?      ? 
1 1 1    4   25   20 o   32.667   12.834   7.5472   8.3103   7.5472   8.3103   0.0000   0.0000   32.667   12.834  ?   ?       ?      ? 
1 1 1    4   25   21 o   47.341   13.424   19.748   9.0078   19.748   9.0078   0.0000   0.0000   47.341   13.424  ?   ?       ?      ? 
1 1 1    4   25   22 o   21.789   10.273  -5.6791   7.8819  -5.6791   7.8819   0.0000   0.0000   21.789   10.273  ?   ?       ?      ? 
1 1 1    4   25   23 o   28.362   12.141   3.2407   8.3135   3.2407   8.3135   0.0000   0.0000   28.362   12.141  ?   ?       ?      ? 
1 1 1    4   25   24 o   50.913   13.093   22.852   9.0844   22.852   9.0844   0.0000   0.0000   50.913   13.093  ?   ?       ?      ? 
1 1 1    4   25   25 o   27.715   11.992   2.7241   8.2788   2.7241   8.2788   0.0000   0.0000   27.715   11.992  ?   ?       ?      ? 
1 1 1    4   25   26 o   33.016   12.964   8.4552   8.4736   8.4552   8.4736   0.0000   0.0000   33.016   12.964  ?   ?       ?      ? 
1 1 1    4   25   27 o   66.531   10.940   35.976   9.8633   35.976   9.8633   0.0000   0.0000   66.531   10.940  ?   ?       ?      ? 
1 1 1    4   26    0 o   38.054   10.454   10.896   8.7644   22.196   12.091  -1.6136   12.722   46.875   15.931   29.233   13.539 17.64162 20.90718 
1 1 1    4   26    1 o   38.807   10.779   12.567   8.9462   21.490   12.479   3.1301   12.833   45.864   16.156   31.749   14.272 14.11465 21.55709 
1 1 1    4   26    2 o   29.841   9.5399  -0.5110   8.4711  -7.9281   11.662   7.7734   12.325   25.394   12.123   34.288   14.734 -8.893839 19.07972 
1 1 1    4   26    3 o   29.519   9.5155  -1.8209   8.5848  -9.6065   11.583   7.6671   12.787   24.633   11.845   34.405   14.896 -9.772396 19.03098 
1 1 1    4   26    4 o   47.893   11.547   22.958   9.5555   13.142   12.996   34.510   14.099   38.278   15.692   57.507   16.944 -19.22837 23.09376 
1 1 1    4   26    5 o   47.665   11.905   24.012   9.6070   20.273   13.010   28.496   14.247   44.206   16.367   51.125   17.294 -6.918674 23.81090 
1 1 1    4   26    6 f   45.493   11.683   21.060   9.6820   13.033   13.212   30.372   14.230   38.098   15.742   52.888   17.267 -14.78949 23.36553 
1 1 1    4   26    7 o   24.498   11.775  -9.2395   11.424  -9.2395   11.424   0.0000   0.0000   24.498   11.775  ?   ?       ?      ? 
1 1 1    4   26    8 o   42.036   13.574   16.356   8.8066   16.356   8.8066   0.0000   0.0000   42.036   13.574  ?   ?       ?      ? 
1 1 1    4   26    9 o   22.087   10.359  -4.4317   7.8331  -4.4317   7.8331   0.0000   0.0000   22.087   10.359  ?   ?       ?      ? 
1 1 1    4   26   10 o   50.077   12.962   22.582   8.8640   22.582   8.8640   0.0000   0.0000   50.077   12.962  ?   ?       ?      ? 
1 1 1    5    0    1 o  1219.77   19.204 10112.22  317.029  9969.73  444.067 10260.33  452.753  1211.00   27.090  1228.53   27.225 -0.000000 0.000000 
1 1 1    5    0    2 o  1188.57   18.742  9589.53  301.303  9260.63  416.158  9951.86  436.804  1167.17   26.342  1209.96   26.669 -0.000000 0.000000 
1 1 1    5    0    3 o  387.923   7.3713  1022.07   38.685  1013.23   54.474  1031.06   54.948  386.228   10.425  389.618   10.424 -0.000000 0.000000 
1 1 1    5    0    4 o  451.806   8.1765  1385.76   49.977  1356.61   69.856  1416.33   71.530  446.933   11.551  456.680   11.575 -0.000000 0.000000 
1 1 1    5    0    5 o  688.412   11.406  3217.11  106.246  3289.40  152.261  3148.52  148.325  695.954   16.164  680.870   16.096 -0.000000 0.000000 
1 1 1    5    0    6 o  339.199   6.7862  781.651   31.137  784.924   44.064  778.387   44.005  339.911   9.5833  338.487   9.6110 -0.000000 0.000000 
1 1 1    5    0    7 o  417.777   7.7417  1185.41   43.760  1178.82   61.669  1192.09   62.107  416.606   10.940  418.947   10.956 -0.000000 0.000000 
1 1 1    5    0    8 o  791.607   12.888  4251.68  137.997  4406.76  199.552  4109.55  191.040  805.438   18.304  777.777   18.148 -0.000000 0.000000 
1 1 1    5    0    9 o  666.309   11.096  3014.33  100.048  3076.42  143.213  2955.14  139.826  673.016   15.722  659.602   15.663 -0.000000 0.000000 
1 1 1    5    0   10 o  548.955   9.4686  2046.41   70.338  2074.44  100.162  2019.14   98.798  552.670   13.392  545.240   13.390 -0.000000 0.000000 
1 1 1    5    0   11 o  481.361   8.5661  1573.59   55.795  1594.43   79.387  1553.24   78.433  484.517   12.108  478.205   12.121 -0.000000 0.000000 
1 1 1    5    0   12 o  406.461   7.6133  1121.41   41.852  1160.64   60.121  1084.52   58.296  413.370   10.749  399.552   10.785 -0.000000 0.000000 
1 1 1    5    0   13 o  168.505   5.1857  193.449   11.781  204.171   16.835  183.160   16.491  173.122   7.2043  163.888   7.4607 -0.000000 0.000000 
1 1 1    5    0   14 o  236.708   8.1112  381.094   25.949   0.0000   0.0000  381.094   25.949  236.708   8.1112  236.708   8.1112 -0.000000 0.000000 
1 1 1    5    0   15 o  298.593   9.0017  606.003   36.349   0.0000   0.0000  606.003   36.349  298.593   9.0017  298.593   9.0017 -0.000000 0.000000 
1 1 1    5    0   16 o  273.768   6.1190  509.057   22.636  533.726   32.559  485.978   31.492  280.207   8.5928  267.329   8.7140 -0.000000 0.000000 
1 1 1    5    0   17 o  462.040   8.3428  1450.47   52.157  1434.72   73.353  1466.57   74.176  459.498   11.798  464.581   11.799 -0.000000 0.000000 
1 1 1    5    0   18 o  502.276   8.8786  1714.29   60.344  1694.29   84.805  1734.80   85.883  499.304   12.552  505.248   12.561 -0.000000 0.000000 
1 1 1    5    0   19 o  540.271   9.3973  1982.65   68.683  2039.83   98.701  1928.96   95.638  547.830   13.313  532.713   13.267 -0.000000 0.000000 
1 1 1    5    0   20 o  449.073   8.2059  1369.73   49.846  1331.14   69.485  1410.65   71.546  442.547   11.604  455.599   11.605 -0.000000 0.000000 
1 1 1    5    0   21 o  337.935   9.7092  776.273   44.380  776.273   44.380   0.0000   0.0000  337.935   9.7092  337.935   9.7092 -0.000000 0.000000 
1 1 1    5    0   22 o  375.661   10.345  959.148   52.572  959.148   52.572   0.0000   0.0000  375.661   10.345  375.661   10.345 -0.000000 0.000000 
1 1 1    5    0   23 o  371.847   7.2743  939.664   36.591  948.783   52.021  930.735   51.477  373.636   10.292  370.058   10.283 -0.000000 0.000000 
1 1 1    5    0   24 o  1087.22   24.459  8052.82  359.955   0.0000   0.0000  8052.82  359.955  1087.22   24.459  1087.22   24.459 -0.000000 0.000000 
1 1 1    5    0   26 o  370.295   10.320  931.758   51.697  931.758   51.697   0.0000   0.0000  370.295   10.320  370.295   10.320 -0.000000 0.000000 
1 1 1    5    0   27 o  482.466   8.6984  1574.71   56.666  1467.76   77.245  1699.32   83.381  464.772   12.284  500.160   12.319 -0.000000 0.000000 
1 1 1    5    0   28 o  214.078   5.8161  311.869   16.795  291.481   23.486  333.208   24.028  206.866   8.4096  221.290   8.0365 -0.000000 0.000000 
1 1 1    5    0   29 o  588.741   10.126  2340.90   80.438  2165.71  108.834  2551.81  119.414  564.574   14.246  612.909   14.395 -0.000000 0.000000 
1 1 1    5    0   30 o  758.681   12.493  3902.09  128.120  3719.90  175.900  4107.98  186.986  739.846   17.567  777.516   17.768 -0.000000 0.000000 
1 1 1    5    0   32 o  318.838   6.7986  690.895   29.312  695.516   41.720  686.389   41.193  319.891   9.6439  317.785   9.5853 -0.000000 0.000000 
1 1 1    5    0   33 o  716.889   16.835  3492.25  163.341   0.0000   0.0000  3492.25  163.341  716.889   16.835  716.889   16.835 -0.000000 0.000000 
1 1 1    5    0   34 o  640.667   10.853  2781.66   93.980  2936.18  137.263  2645.31  128.943  657.392   15.427  623.943   15.271 -0.000000 0.000000 
1 1 1    5    0   35 o  494.874   8.9213  1653.62   59.555  1521.05   80.595  1813.09   88.391  473.119   12.591  516.629   12.643 -0.000000 0.000000 
1 1 1    5    0   36 o  311.256   6.7757  657.312   28.489  695.472   41.323  622.743   39.331  319.877   9.5521  302.636   9.6122 -0.000000 0.000000 
1 1 1    5    0   37 o  727.337   12.105  3575.62  118.801  3874.95  176.538  3327.88  160.610  755.023   17.275  699.652   16.962 -0.000000 0.000000 
1 1 1    5    0   38 o  723.801   12.055  3549.86  117.888  3354.96  161.077  3774.69  172.999  702.456   16.944  745.145   17.153 -0.000000 0.000000 
1 1 1    5    0   39 o  1012.88   22.970  6985.74  314.919  6985.74  314.919   0.0000   0.0000  1012.88   22.970  1012.88   22.970 -0.000000 0.000000 
1 1 1    5    0   42 o  977.823   15.751  6499.33  208.207  6212.74  285.942  6822.77  303.766  954.931   22.123  1000.72   22.425 -0.000000 0.000000 
1 1 1    5    0   44 o  403.252   7.8719  1103.96   42.910  1153.59   62.138  1058.73   59.326  411.918   11.150  394.585   11.115 -0.000000 0.000000 
1 1 1    5    0   45 o  547.476   9.6864  2030.30   71.611  1895.00   97.630  2187.86  105.357  527.783   13.671  567.169   13.726 -0.000000 0.000000 
1 1 1    5    0   46 o  514.234   9.2545  1794.28   64.313  1694.10   88.421  1906.82   93.715  499.001   13.096  529.467   13.079 -0.000000 0.000000 
1 1 1    5    0   47 f  540.201   9.5910  1984.29   70.083  1919.89   97.601  2052.85  100.696  531.138   13.580  549.263   13.547 -0.000000 0.000000 
1 1 1    5    0   48 o  389.598   7.7461  1026.95   40.709  1122.12   60.244  946.980   55.224  406.154   10.964  373.041   10.946 -0.000000 0.000000 
1 1 1    5    0   49 o  295.251   6.7992  592.886   27.123  608.457   39.171  578.543   37.594  298.973   9.6912  291.529   9.5391 -0.000000 0.000000 
1 1 1    5    0   50 o  231.845   8.8298  366.283   27.650   0.0000   0.0000  366.283   27.650  231.845   8.8298  231.845   8.8298 -0.000000 0.000000 
1 1 1    5    0   51 o  334.072   7.1934  759.555   32.485  731.664   45.559  788.404   46.334  327.801   10.279  340.342   10.066 -0.000000 0.000000 
1 1 1    5    0   52 o  342.880   7.3024  797.880   33.796  735.375   46.423  868.356   49.295  328.581   10.450  357.179   10.203 -0.000000 0.000000 
1 1 1    5    0   53 o   77.508   8.7406   43.631   8.3255   52.061   12.232   36.355   11.364   85.474   11.073   69.543   13.527 -0.000000 0.000000 
1 1 1    5    0   55 o  339.013   10.349  782.974   47.442  782.974   47.442   0.0000   0.0000  339.013   10.349  339.013   10.349 -0.000000 0.000000 
1 1 1    5    0   56 o  146.472   9.2487  147.423   18.190  147.423   18.190   0.0000   0.0000  146.472   9.2487  146.472   9.2487 -0.000000 0.000000 
1 1 1    5    0   57 f  390.001   7.8683  1033.40   41.432  954.959   56.921  1121.80   60.423  374.247   11.246  405.755   11.007 -0.000000 0.000000 
1 1 1    5    0   58 o  436.884   8.4072  1301.24   49.681  1319.62   71.102  1283.71   69.446  439.890   11.948  433.877   11.831 -0.000000 0.000000 
1 1 1    5    0   59 o  252.719   6.6113  435.643   22.567  439.010   32.288  432.428   31.553  253.664   9.4223  251.775   9.2766 -0.000000 0.000000 
1 1 1    5    0   60 o  268.229   6.7287  490.877   24.384  482.481   34.562  499.197   34.408  265.917   9.6196  270.542   9.4109 -0.000000 0.000000 
1 1 1    5    0   61 o  380.830   7.8130  987.847   40.205  931.165   55.721  1049.41   58.068  369.399   11.154  392.261   10.943 -0.000000 0.000000 
1 1 1    5    0   62 o  257.091   6.7579  447.484   23.370  503.809   34.864  401.527   31.492  271.733   9.4941  242.449   9.6196 -0.000000 0.000000 
1 1 1    5    0   63 o  461.044   8.7831  1444.90   54.645  1325.16   74.448  1584.75   80.461  440.371   12.498  481.717   12.344 -0.000000 0.000000 
1 1 1    5    0   64 o  145.792   6.8190  145.986   13.275  150.959   19.881  141.986   17.833  147.957   10.021  143.626   9.2505 -0.000000 0.000000 
1 1 1    5    0   65 o  240.153   9.2538  393.944   30.014   0.0000   0.0000  393.944   30.014  240.153   9.2538  240.153   9.2538 -0.000000 0.000000 
1 1 1    5    0   66 o  250.615   9.3944  429.051   31.803   0.0000   0.0000  429.051   31.803  250.615   9.3944  250.615   9.3944 -0.000000 0.000000 
1 1 1    5    0   67 o  121.061   7.5819  104.319   11.719   76.416   16.628  131.857   16.519  103.730   12.283  138.391   8.8927 -0.000000 0.000000 
1 1 1    5    0   68 o   94.508   8.2002   63.068   10.018   71.210   14.948   56.430   13.498  100.318   11.373   88.698   11.816 -0.000000 0.000000 
1 1 1    5    0   69 o  172.378   6.7064  204.476   15.523  190.039   21.988  218.819   21.917  166.156   9.8446  178.600   9.1098 -0.000000 0.000000 
1 1 1    5    0   70 o  192.783   9.5276  255.075   24.752  255.075   24.752   0.0000   0.0000  192.783   9.5276  192.783   9.5276 -0.000000 0.000000 
1 1 1    5    0   71 o   91.710   12.374   60.572   14.591   60.572   14.591   0.0000   0.0000   91.710   12.374   91.710   12.374 -0.000000 0.000000 
1 1 1    5    0   72 o  163.487   6.7758  184.722   14.826  165.676   20.960  203.793   20.974  154.794   10.090  172.180   9.0460 -0.000000 0.000000 
1 1 1    5    0   73 o  230.600   6.8221  364.573   21.165  326.539   29.346  405.799   30.553  217.913   9.9855  243.288   9.2981 -0.000000 0.000000 
1 1 1    5    0   74 o   71.771   11.057   40.053   9.4026   41.084   13.811   39.161   12.837   72.444   16.097   71.098   15.163 -0.000000 0.000000 
1 1 1    5    0   75 o   51.100   13.232   23.854   8.6002   29.790   12.894   19.096   11.543   58.388   18.519   43.812   18.905 -0.000000 0.000000 
1 1 1    5    0   76 o   27.059   11.498   4.9306   7.6279   8.2565   11.415   2.2472   10.253   30.182   17.382   23.937   15.055 -0.000000 0.000000 
1 1 1    5    0   77 o  109.786   7.6413   85.426   11.090   81.574   15.907   89.069   15.469  107.116   11.242  112.456   10.352 -0.000000 0.000000 
1 1 1    5    0   78 f   86.275   9.2978   54.648   9.8478   67.436   14.575   43.905   13.358   96.851   11.537   75.699   14.584 -0.000000 0.000000 
1 1 1    5    0   79 o   97.716   11.086   68.455   14.193   0.0000   0.0000   68.455   14.193   97.716   11.086   97.716   11.086 -0.000000 0.000000 
1 1 1    5    0   80 o   70.595   14.708   38.954   12.405   0.0000   0.0000   38.954   12.405   70.595   14.708   70.595   14.708 -0.000000 0.000000 
1 1 1    5    0   81 o   35.556   12.382   12.610   7.7195   19.168   11.114   6.4968   10.731   43.457   18.532   27.654   16.426 -0.000000 0.000000 
1 1 1    5    0   82 o  100.307   8.0920   72.697   10.604   78.307   15.308   67.523   14.701  104.306   11.152   96.308   11.729 -0.000000 0.000000 
1 1 1    5    0   83 o   32.840   11.254   7.7927   7.8579  -6.7184   11.373   21.047   10.869   19.448   13.350   46.232   18.121 -0.000000 0.000000 
1 1 1    5    0   84 o  129.055   10.410  118.511   17.933  118.511   17.933   0.0000   0.0000  129.055   10.410  129.055   10.410 -0.000000 0.000000 
1 1 1    5    0   85 o   88.221   9.7848   59.024   10.167   79.326   15.052   41.994   13.787  104.723   10.875   71.720   16.270 -0.000000 0.000000 
1 1 1    5    0   86 o   68.536   11.341   38.613   9.1469   42.170   13.260   35.384   12.634   72.425   15.365   64.648   16.686 -0.000000 0.000000 
1 1 1    5    0   87 o   21.296   9.9246  -1.2883   7.3405   2.0959   10.796  -4.1976   10.010   23.599   15.088   18.993   12.897 -0.000000 0.000000 
1 1 1    5    0   88 o   70.408   11.849   42.618   9.7091   33.279   14.112   51.011   13.378   59.182   19.744   81.634   13.107 -0.000000 0.000000 
1 1 1    5    0   89 o   86.767   13.284   57.597   14.532   0.0000   0.0000   57.597   14.532   86.767   13.284   86.767   13.284 -0.000000 0.000000 
1 1 1    5    0   90 f   87.166   13.970   58.958   15.231   58.958   15.231   0.0000   0.0000   87.166   13.970   87.166   13.970 -0.000000 0.000000 
1 1 1    5    0   91 o   62.643   12.893   35.631   9.5666   41.213   13.900   30.606   13.187   69.306   17.095   55.981   19.305 -0.000000 0.000000 
1 1 1    5    0   92 o   22.698   14.825   0.8961   11.190   0.0000   0.0000   0.8961   11.190   22.698   14.825   22.698   14.825 -0.000000 0.000000 
1 1 1    5    0   93 o   38.590   19.208   17.865   12.183   0.0000   0.0000   17.865   12.183   38.590   19.208   38.590   19.208 -0.000000 0.000000 
1 1 1    5    0   94 o   22.436   14.722   0.9152   11.227   0.0000   0.0000   0.9152   11.227   22.436   14.722   22.436   14.722 -0.000000 0.000000 
1 1 1    5    1    0 o  628.860   10.570  2682.57   90.073  2683.10  127.406  2682.03  127.360  628.923   14.949  628.798   14.946 0.1254272 21.13921 
1 1 1    5    1    1 o  687.373   11.395  3205.59  106.138  3196.79  149.845  3214.46  150.360  686.426   16.109  688.320   16.120 -1.894348 22.78911 
1 1 1    5    1    2 o  779.417   11.008  4145.69  110.076  4044.86  187.826  4198.44  135.850  771.995   17.954  786.839   12.741 -14.84326 22.01513 
1 1 1    5    1    3 o  840.968   11.761  4775.59  125.861  4866.43  220.721  4731.82  153.212  846.661   19.238  835.276   13.536 11.38495 23.52229 
1 1 1    5    1    4 o  1040.84   14.300  7342.61  189.809  7397.30  330.494  7315.69  231.861  1043.35   23.375  1038.33   16.478 5.012451 28.59933 
1 1 1    5    1    5 o  1270.03   14.094 10952.35  242.560 11021.53  344.569 10884.40  341.514  1274.00   19.958  1266.06   19.906 7.943359 28.18803 
1 1 1    5    1    6 o  852.389   9.7097  4928.13  112.156  4906.68  158.181  4949.82  159.047  850.523   13.724  854.254   13.739 -3.730347 19.41940 
1 1 1    5    1    7 o  539.793   6.5965  1975.09   48.250  1953.59   67.851  1997.09   68.628  536.821   9.3270  542.765   9.3306 -5.943542 13.19291 
1 1 1    5    1    8 o  1113.52   12.455  8417.11  187.946  8404.37  265.314  8429.94  266.280  1112.67   17.596  1114.36   17.633 -1.687012 24.91070 
1 1 1    5    1    9 o  576.436   9.8229  2252.79   76.731  2252.79   76.731   0.0000   0.0000  576.436   9.8229  ?   ?       ?      ? 
1 1 1    5    1   10 f  1017.81   11.455  7031.62  157.989  7031.10  223.301  7032.15  223.560  1017.77   16.190  1017.84   16.208 -0.7452393E-01 22.90918 
1 1 1    5    1   11 o  1821.92   24.583 22308.14  563.687 23716.45  1018.68 21686.61  676.736  1859.87   40.418  1783.96   27.993 75.91309 49.16520 
1 1 1    5    1   12 o  1391.46   18.873 12899.51  329.324 13963.40  601.720 12444.55  393.489  1430.13   31.048  1352.78   21.465 77.35510 37.74539 
1 1 1    5    1   13 o  790.511   9.0931  4238.50   97.390  4326.02  139.451  4155.17  136.070  798.472   12.888  782.551   12.831 15.92065 18.18615 
1 1 1    5    1   14 o  924.938   14.834  5808.92  185.928  5808.92  185.928   0.0000   0.0000  924.938   14.834  ?   ?       ?      ? 
1 1 1    5    1   15 o  801.721   9.2327  4363.06  100.307  4341.31  141.413  4385.08  142.301  799.711   13.049  803.731   13.065 -4.019592 18.46546 
1 1 1    5    1   16 o  590.257   8.7310  2379.60   66.065  2410.80   81.474  2319.70  112.888  596.123   10.086  584.391   14.255 11.73248 17.46192 
1 1 1    5    1   17 o  472.326   7.3658  1527.59   44.627  1557.80   55.168  1470.41   75.908  479.257   8.4945  465.394   12.036 13.86340 14.73164 
1 1 1    5    1   18 o  576.214   8.5859  2293.54   63.931  2393.57   80.224  2119.48  105.827  593.927   9.9676  558.500   13.983 35.42749 17.17176 
1 1 1    5    1   20 o  222.572   5.6802  335.971   17.130  343.912   24.342  328.180   24.111  225.179   7.9770  219.966   8.0886 5.213882 11.36037 
1 1 1    5    1   21 o  504.425   7.7091  1713.10   49.465  1768.16   87.072  1686.86   60.106  510.203   12.594  498.647   8.8949 11.55658 15.41814 
1 1 1    5    1   22 o  366.579   5.0925  911.227   25.298  909.747   35.728  912.714   35.825  366.281   7.1981  366.878   7.2058 -0.5967102 10.18509 
1 1 1    5    1   23 o  570.556   13.874  2211.70  107.269  2211.70  107.269   0.0000   0.0000  570.556   13.874  ?   ?       ?      ? 
1 1 1    5    1   24 o  371.040   7.2563  933.443   36.485  933.443   36.485   0.0000   0.0000  371.040   7.2563  ?   ?       ?      ? 
1 1 1    5    1   25 o  406.558   7.6860  1120.71   42.345  1120.71   42.345   0.0000   0.0000  406.558   7.6860  ?   ?       ?      ? 
1 1 1    5    1   26 o  457.613   8.3380  1419.92   51.706  1419.92   51.706   0.0000   0.0000  457.613   8.3380  ?   ?       ?      ? 
1 1 1    5    1   27 o  434.023   5.6875  1277.11   33.451  1285.82   47.471  1268.52   47.144  435.493   8.0439  432.553   8.0428 2.940094 11.37501 
1 1 1    5    1   28 o  577.881   7.0408  2262.57   55.111  2340.26   79.410  2190.39   76.545  587.440   9.9753  568.321   9.9390 19.11902 14.08156 
1 1 1    5    1   29 o  591.822   14.312  2377.36  114.782  2377.36  114.782   0.0000   0.0000  591.822   14.312  ?   ?       ?      ? 
1 1 1    5    1   30 o  645.578   9.4732  2864.90   78.896  2953.91   98.449  2705.12  131.901  659.934   11.009  631.223   15.420 28.71124 18.94631 
1 1 1    5    1   31 o  689.186   9.9641  3236.75   88.058  3182.85  150.723  3264.68  108.501  684.624   16.246  693.748   11.541 -9.123596 19.92813 
1 1 1    5    1   32 o  570.851   9.8614  2209.82   76.286  2209.82   76.286   0.0000   0.0000  570.851   9.8614  ?   ?       ?      ? 
1 1 1    5    1   33 o  543.730   6.7246  2003.74   49.536  1957.00   69.119  2053.09   71.028  537.216   9.4944  550.244   9.5256 -13.02863 13.44919 
1 1 1    5    1   34 o  569.609   8.5254  2184.14   61.706  2152.66   74.918  2250.54  108.808  563.405   9.8126  575.813   13.944 -12.40839 17.05085 
1 1 1    5    1   35 o  638.155   9.3312  2720.74   75.287  2647.16   90.729  2883.43  134.910  624.701   10.717  651.609   15.278 -26.90826 18.66245 
1 1 1    5    1   36 o  615.091   7.4225  2566.02   61.864  2532.23   86.829  2600.86   88.164  610.980   10.487  619.203   10.507 -8.222412 14.84501 
1 1 1    5    1   37 o  596.478   8.9150  2446.15   68.467  2519.55   85.225  2312.56  114.977  609.434   10.319  583.521   14.540 25.91315 17.83002 
1 1 1    5    1   38 o  546.459   6.7868  2024.94   50.249  1991.21   70.266  2060.25   71.888  541.804   9.5702  551.114   9.6257 -9.310059 13.57362 
1 1 1    5    1   39 o  535.722   6.6820  1946.88   48.510  1945.28   68.584  1948.49   68.622  535.502   9.4510  535.943   9.4485 -0.4415894 13.36398 
1 1 1    5    1   40 o  596.211   8.8944  2409.73   67.679  2425.98  117.644  2401.70   82.743  597.493   14.530  594.930   10.263 2.563354 17.78884 
1 1 1    5    1   41 o  691.225   10.024  3213.82   87.886  3340.94  155.816  3154.51  106.433  700.798   16.407  681.651   11.522 19.14655 20.04883 
1 1 1    5    1   42 f  535.039   9.4671  1942.47   68.641  1942.47   68.641   0.0000   0.0000  535.039   9.4671  ?   ?       ?      ? 
1 1 1    5    1   43 o  312.557   6.8599  662.488   29.056  662.488   29.056   0.0000   0.0000  312.557   6.8599  ?   ?       ?      ? 
1 1 1    5    1   44 o  469.325   6.1113  1494.65   38.867  1491.31   54.892  1498.01   55.042  468.799   8.6405  469.850   8.6448 -1.051178 12.22252 
1 1 1    5    1   45 o  389.238   5.4407  1027.81   28.697  1039.83   40.780  1016.03   40.390  391.491   7.6868  386.984   7.7018 4.507568 10.88139 
1 1 1    5    1   46 o  528.490   6.6534  1896.51   47.649  1906.09   67.538  1887.01   67.236  529.820   9.4067  527.160   9.4119 2.659607 13.30676 
1 1 1    5    1   47 o  458.944   8.5297  1429.95   53.049  1429.95   53.049   0.0000   0.0000  458.944   8.5297  ?   ?       ?      ? 
1 1 1    5    1   48 f  109.589   5.4060   80.908   7.6814   83.585   12.999   79.472   9.5217  110.945   8.6460  108.233   6.4919 2.712173 10.81194 
1 1 1    5    1   49 o  223.761   6.2075  339.676   18.823   0.0000   0.0000  339.676   18.823  ?   ?   223.761   6.2075      ?      ? 
1 1 1    5    1   50 o  317.041   6.9671  682.225   29.933  682.225   29.933   0.0000   0.0000  317.041   6.9671  ?   ?       ?      ? 
1 1 1    5    1   51 o  337.256   6.1565  749.956   26.302  711.404   31.593  837.021   47.477  323.707   7.2020  350.805   9.9870 -27.09814 12.31295 
1 1 1    5    1   52 o  235.310   5.5083  381.306   16.629  393.005   20.624  359.570   28.112  240.639   6.3246  229.980   9.0203 10.65865 11.01663 
1 1 1    5    1   53 o  319.996   4.9882  695.317   21.631  692.382   30.496  698.287   30.685  319.317   7.0477  320.674   7.0612 -1.357361 9.976490 
1 1 1    5    1   54 o  247.111   5.6263  413.822   17.709  411.593   21.598  418.394   30.934  246.223   6.4729  248.000   9.2044 -1.776276 11.25256 
1 1 1    5    1   55 o  273.987   4.7161  509.696   17.508  519.983   24.930  499.684   24.595  276.717   6.6481  271.258   6.6908 5.458954 9.432110 
1 1 1    5    1   56 o  446.725   6.0248  1357.43   36.472  1347.79   51.494  1367.12   51.665  445.132   8.5366  448.318   8.5041 -3.186798 12.04958 
1 1 1    5    1   57 o  503.014   13.080  1731.13   89.160  1731.13   89.160   0.0000   0.0000  503.014   13.080  ?   ?       ?      ? 
1 1 1    5    1   58 o  106.316   4.9213   76.895   7.0696   69.668   9.9377   84.300   10.059  101.240   7.2435  111.392   6.6640 -10.15224 9.842594 
1 1 1    5    1   59 o  287.610   4.8518  562.087   18.908  572.761   26.908  551.675   26.575  290.309   6.8398  284.910   6.8831 5.399536 9.703653 
1 1 1    5    1   60 o  281.355   4.8109  538.039   18.342  529.826   25.877  546.332   26.001  279.193   6.8395  283.518   6.7675 -4.324829 9.621764 
1 1 1    5    1   61 o  235.424   4.6186  376.587   14.731  365.120   20.670  388.423   21.000  231.778   6.5810  239.071   6.4820 -7.292908 9.237182 
1 1 1    5    1   62 o  272.296   6.8099  504.131   25.129  504.131   25.129   0.0000   0.0000  272.296   6.8099  ?   ?       ?      ? 
1 1 1    5    1   63 o  292.691   4.9307  582.675   19.557  583.948   27.753  581.419   27.563  293.007   6.9895  292.376   6.9567 0.6300964 9.861498 
1 1 1    5    1   64 o  188.269   5.6622  245.995   13.620  227.268   23.077  256.004   16.872  182.490   9.3315  194.049   6.4160 -11.55913 11.32436 
1 1 1    5    1   65 o  254.218   4.7787  439.632   16.462  436.655   23.307  442.596   23.255  253.355   6.7885  255.081   6.7277 -1.726669 9.557491 
1 1 1    5    1   66 o  189.232   6.5337  243.573   16.755  243.573   16.755   0.0000   0.0000  189.232   6.5337  ?   ?       ?      ? 
1 1 1    5    1   67 o   39.586   9.7291   8.9380   6.2906   6.2460   7.9592   13.418   10.268   34.339   12.785   44.833   14.669 -10.49371 19.45811 
1 1 1    5    1   68 o  167.198   4.7229  190.302   10.701  190.541   15.199  190.068   15.067  167.299   6.7042  167.097   6.6541 0.2018890 9.445791 
1 1 1    5    1   69 o  218.428   5.9163  332.061   16.434  344.934   20.259  307.283   28.105  225.059   6.6425  211.796   9.7923 13.26247 11.83262 
1 1 1    5    1   70 o  220.850   6.7221  332.367   20.118  332.367   20.118   0.0000   0.0000  220.850   6.7221  ?   ?       ?      ? 
1 1 1    5    1   71 o   55.742   8.2905   21.682   6.1945   28.183   9.1404   16.161   8.4240   63.995   10.540   47.489   12.800 16.50651 16.58096 
1 1 1    5    1   72 o   77.032   7.7987   39.246   7.6242   45.936   13.823   36.321   9.1403   81.338   12.540   72.725   9.2745 8.612625 15.59745 
1 1 1    5    1   73 o  271.967   4.9422  505.369   18.211  492.268   25.566  518.864   25.948  268.376   7.0297  275.558   6.9487 -7.181732 9.884429 
1 1 1    5    1   74 o  110.798   5.3251   84.070   7.9886   88.988   11.427   79.368   11.173  113.988   7.3974  107.608   7.6620 6.379845 10.65023 
1 1 1    5    1   75 o   60.218   7.7018   25.840   6.0716   31.888   8.6702   20.020   8.5054   67.938   9.4175   52.498   12.189 15.43943 15.40361 
1 1 1    5    1   76 o   76.370   6.2865   40.587   6.4181   32.915   9.0383   48.390   9.1153   68.899   9.6804   83.840   8.0230 -14.94109 12.57292 
1 1 1    5    1   77 o   98.533   5.4842   67.033   7.2912   59.721   10.274   74.452   10.349   93.023   8.1505  104.043   7.3399 -11.02074 10.96836 
1 1 1    5    1   78 o   64.472   8.8523   35.173   7.0756   16.334   11.887   45.510   8.8054   47.803   15.790   81.141   8.0080 -33.33844 17.70454 
1 1 1    5    1   79 o   66.029   6.9593   30.479   6.2185   32.734   9.0235   28.438   8.5818   68.373   9.7388   63.685   9.9439 4.688198 13.91854 
1 1 1    5    1   80 o  142.949   4.8414  141.013   9.3771  140.863   13.142  141.168   13.384  142.895   6.7866  143.004   6.9064 -0.1089630 9.682817 
1 1 1    5    1   81 o   82.934   7.3218   50.013   7.7056   52.751   9.5527   44.913   13.038   86.989   8.1036   78.879   12.197 8.109291 14.64356 
1 1 1    5    1   82 o   47.309   8.7965   16.929   5.7367   18.700   8.0099   15.065   8.2201   49.887   11.996   44.730   12.869 5.157314 17.59303 
1 1 1    5    1   83 f   76.839   8.2256   43.338   7.6939   43.290   9.3005   43.442   13.694   78.325   8.7625   75.354   13.923 2.970589 16.45122 
1 1 1    5    1   84 o   69.866   6.5968   34.780   6.2405   33.122   8.8038   36.454   8.8473   68.114   9.5378   71.617   9.1162 -3.502319 13.19369 
1 1 1    5    1   85 o   81.959   8.1938   51.842   8.1070   43.631   13.801   56.169   10.018   74.797   14.133   89.120   8.2949 -14.32312 16.38757 
1 1 1    5    1   86 o   66.361   8.5474   33.261   7.3104   33.445   9.3705   32.973   11.685   67.908   10.183   64.815   13.731 3.092255 17.09471 
1 1 1    5    1   87 o   41.151   9.2760   13.468   6.7353  -0.6088   12.188   19.657   8.0814   31.882   14.147   50.420   12.001 -18.53724 18.55194 
1 1 1    5    1   88 o   55.660   8.4872   23.974   6.2153   25.492   8.8460   22.494   8.7346   57.586   11.734   53.733   12.266 3.853363 16.97438 
1 1 1    5    1   89 o   57.557   8.3097   25.677   6.2604   28.172   8.7980   23.117   8.9100   60.845   11.078   54.268   12.389 6.577492 16.61944 
1 1 1    5    1   90 o   49.717   8.8012   21.071   7.2454   2.9379   11.645   32.524   9.2547   33.114   14.276   66.319   10.298 -33.20449 17.60250 
1 1 1    5    1   91 f   31.634   9.2579   4.6048   6.4242   1.2285   10.908   6.3978   7.9490   30.960   13.575   32.307   12.592 -1.346905 18.51582 
1 1 1    5    1   92 o   44.575   9.5269   12.441   6.8615   30.355   11.619   2.8484   8.5022   59.905   14.475   29.245   12.391 30.66007 19.05379 
1 1 1    5    1   93 o   25.707   12.131  -7.7166   11.037  -7.7166   11.037   0.0000   0.0000   25.707   12.131  ?   ?       ?      ? 
1 1 1    5    1   94 o   40.540   15.807   13.770   12.530   13.770   12.530   0.0000   0.0000   40.540   15.807  ?   ?       ?      ? 
1 1 1    5    1   95 o   50.577   16.817   25.507   13.476   25.507   13.476   0.0000   0.0000   50.577   16.817  ?   ?       ?      ? 
1 1 1    5    2    0 o  665.081   11.106  2998.87  100.057  2917.81  139.162  3085.61  143.964  655.786   15.659  674.375   15.753 -18.58813 22.21218 
1 1 1    5    2    1 o  806.516   11.345  4388.25  116.331  4486.64  204.512  4341.19  141.443  812.968   18.564  800.064   13.046 12.90332 22.68929 
1 1 1    5    2    2 o  676.360   9.7433  3059.35   83.389  3223.80  149.003  2984.36  100.622  689.286   15.952  663.434   11.192 25.85205 19.48658 
1 1 1    5    2    3 o  817.248   13.272  4531.36  146.932  4416.60  204.460  4653.91  211.294  806.562   18.706  827.935   18.833 -21.37360 26.54414 
1 1 1    5    2    4 o  1280.69   28.479 11165.64  494.259   0.0000   0.0000 11165.64  494.259  ?   ?   1280.69   28.479      ?      ? 
1 1 1    5    2    5 o  1122.09   17.762  8547.24  270.092   0.0000   0.0000  8547.24  270.092  ?   ?   1122.09   17.762      ?      ? 
1 1 1    5    2    7 o  704.499   11.635  3365.81  111.076   0.0000   0.0000  3365.81  111.076  ?   ?   704.499   11.635      ?      ? 
1 1 1    5    2    8 o  1131.49   12.628  8692.85  193.626  8758.45  275.141  8628.49  272.536  1135.72   17.877  1127.26   17.841 8.452148 25.25656 
1 1 1    5    2    9 o  968.580   10.954  6367.36  143.772  6339.15  202.705  6395.92  203.950  966.423   15.478  970.738   15.504 -4.314636 21.90746 
1 1 1    5    2   10 o  972.871   10.988  6424.60  144.864  6395.78  204.102  6453.87  205.643  970.675   15.516  975.067   15.563 -4.392273 21.97656 
1 1 1    5    2   11 o  897.245   10.194  5463.82  123.949  5428.80  174.493  5499.48  176.099  894.346   14.398  900.145   14.436 -5.798767 20.38878 
1 1 1    5    2   12 o  665.151   7.8428  2997.26   70.647  3113.13  102.142  2891.00   97.817  677.457   11.126  652.845   11.057 24.61182 15.68555 
1 1 1    5    2   13 f  394.911   5.2870  1057.21   28.293  1070.94   40.202  1043.73   39.824  397.452   7.4641  392.370   7.4898 5.082672 10.57404 
1 1 1    5    2   14 o  292.224   4.4648  578.851   17.680  577.239   24.889  580.492   25.120  291.814   6.2939  292.634   6.3345 -0.8203430 8.929641 
1 1 1    5    2   16 f  405.710   7.6342  1116.94   41.970  1104.16   59.047  1129.99   59.667  403.364   10.802  408.055   10.790 -4.690857 15.26833 
1 1 1    5    2   18 f  159.434   4.6483  175.909   9.3552  182.662   11.448  162.331   16.232  164.157   5.1461  154.712   7.7423 9.444626 9.296574 
1 1 1    5    2   19 o  648.133   9.4273  2841.55   77.744  2817.55   94.650  2891.32  136.300  644.253   10.841  652.013   15.426 -7.760010 18.85469 
1 1 1    5    2   20 o  644.396   7.6488  2818.31   66.787  2859.15   95.152  2778.65   93.766  648.996   10.819  639.795   10.815 9.201721 15.29759 
1 1 1    5    2   21 o  373.572   7.3154  946.357   37.034   0.0000   0.0000  946.357   37.034  ?   ?   373.572   7.3154      ?      ? 
1 1 1    5    2   24 o  799.462   18.456  4348.09  199.952  4348.09  199.952   0.0000   0.0000  799.462   18.456  ?   ?       ?      ? 
1 1 1    5    2   25 o  773.178   10.977  4064.20  108.522  4050.91  187.462  4070.90  133.092  771.898   17.921  774.458   12.681 -2.560730 21.95435 
1 1 1    5    2   26 f  700.818   8.2180  3332.18   78.046  3333.62  110.353  3330.75  110.396  700.970   11.617  700.667   11.627 0.3031006 16.43593 
1 1 1    5    2   27 o  579.049   9.9420  2273.89   78.014  2273.89   78.014   0.0000   0.0000  579.049   9.9420  ?   ?       ?      ? 
1 1 1    5    2   28 o  741.277   17.268  3732.79  173.467  3732.79  173.467   0.0000   0.0000  741.277   17.268  ?   ?       ?      ? 
1 1 1    5    2   29 o  489.857   12.398  1628.00   82.298  1628.00   82.298   0.0000   0.0000  489.857   12.398  ?   ?       ?      ? 
1 1 1    5    2   30 o  118.940   3.9833   95.914   6.4174   98.877   9.0577   92.929   9.0937  120.785   5.5338  117.095   5.7308 3.690498 7.966502 
1 1 1    5    2   31 o  449.676   8.2760  1370.89   50.432  1370.89   50.432   0.0000   0.0000  449.676   8.2760  ?   ?       ?      ? 
1 1 1    5    2   32 o  663.869   7.8791  2987.70   70.862  2917.72   98.772  3061.93  101.721  655.864   11.113  671.874   11.172 -16.00983 15.75823 
1 1 1    5    2   33 o  590.701   8.7843  2350.67   66.092  2416.57  115.935  2318.93   80.443  596.657   14.339  584.746   10.152 11.91028 17.56856 
1 1 1    5    2   34 o  693.835   11.572  3269.91  108.802  3248.84  153.062  3291.44  154.689  691.579   16.332  696.091   16.399 -4.511780 23.14428 
1 1 1    5    2   35 o  713.428   10.317  3483.55   94.410  3543.35  116.623  3369.84  160.811  722.637   11.909  704.218   16.851 18.41876 20.63457 
1 1 1    5    2   36 o  665.271   9.7769  3069.99   84.365  3253.77  106.868  2766.03  137.439  692.488   11.388  638.055   15.895 54.43286 19.55384 
1 1 1    5    2   37 o  527.597   6.5989  1887.93   47.179  1900.40   66.925  1875.61   66.521  529.329   9.3299  525.865   9.3347 3.464722 13.19788 
1 1 1    5    2   38 o  798.775   9.2586  4332.37  100.217  4310.05  141.227  4355.01  142.237  796.705   13.081  800.845   13.106 -4.140808 18.51713 
1 1 1    5    2   39 o  570.838   9.9214  2210.84   76.748  2210.84   76.748   0.0000   0.0000  570.838   9.9214  ?   ?       ?      ? 
1 1 1    5    2   40 o  508.865   6.4652  1756.49   44.581  1776.20   63.327  1737.12   62.772  511.696   9.1326  506.034   9.1539 5.661469 12.93048 
1 1 1    5    2   41 o  597.623   8.9179  2418.66   67.957  2447.38  118.485  2404.59   82.958  600.012   14.572  595.234   10.285 4.777954 17.83581 
1 1 1    5    2   42 o  376.930   6.5281  958.025   31.354  981.713   54.914  946.568   38.192  380.275   10.656  373.585   7.5439 6.689606 13.05624 
1 1 1    5    2   43 o  338.764   5.0328  778.244   23.103  788.490   32.851  768.219   32.496  340.970   7.1097  336.558   7.1251 4.412048 10.06554 
1 1 1    5    2   44 o  341.385   7.1473  790.503   33.065  790.503   33.065   0.0000   0.0000  341.385   7.1473  ?   ?       ?      ? 
1 1 1    5    2   45 o  363.186   7.3859  894.865   36.351  894.865   36.351   0.0000   0.0000  363.186   7.3859  ?   ?       ?      ? 
1 1 1    5    2   46 o  175.021   8.4171  207.930   19.963  207.930   19.963   0.0000   0.0000  175.021   8.4171  ?   ?       ?      ? 
1 1 1    5    2   47 o  105.637   5.6598   76.425   7.6740   73.602   13.038   77.922   9.4925  104.099   9.2421  107.175   6.5359 -3.075745 11.31970 
1 1 1    5    2   48 o  509.563   9.1746  1763.90   63.353  1763.90   63.353   0.0000   0.0000  509.563   9.1746  ?   ?       ?      ? 
1 1 1    5    2   49 o  363.663   7.4474  897.763   36.702  897.763   36.702   0.0000   0.0000  363.663   7.4474  ?   ?       ?      ? 
1 1 1    5    2   50 o  248.822   4.5316  420.128   15.280  419.047   21.623  421.206   21.595  248.501   6.4210  249.142   6.3962 -0.6405640 9.063123 
1 1 1    5    2   51 o  305.797   4.8822  634.788   20.231  641.237   28.664  628.386   28.559  307.347   6.8821  304.247   6.9268 3.099182 9.764371 
1 1 1    5    2   52 o  510.948   9.2549  1775.31   64.082  1775.31   64.082   0.0000   0.0000  510.948   9.2549  ?   ?       ?      ? 
1 1 1    5    2   53 o  367.742   6.6772  951.920   31.728  1048.46   40.563  799.767   50.924  392.853   7.6193  342.632   10.968 50.22113 13.35445 
1 1 1    5    2   54 o  194.021   4.3846  255.515   11.528  259.025   16.389  252.079   16.217  195.340   6.1913  192.702   6.2102 2.638062 8.769203 
1 1 1    5    2   55 o  388.345   5.5082  1024.87   28.985  1007.66   40.690  1042.59   41.297  385.035   7.7984  391.656   7.7810 -6.620300 11.01632 
1 1 1    5    2   56 o  458.542   6.0985  1430.23   37.892  1452.36   53.985  1408.75   53.199  462.037   8.6222  455.046   8.6271 6.990662 12.19708 
1 1 1    5    2   57 o  491.077   6.4131  1641.83   42.677  1645.05   60.451  1638.63   60.259  491.556   9.0751  490.599   9.0639 0.9577637 12.82617 
1 1 1    5    2   58 o  304.921   9.9975  633.871   41.311  633.871   41.311   0.0000   0.0000  304.921   9.9975  ?   ?       ?      ? 
1 1 1    5    2   59 o  214.942   4.5251  313.884   13.180  312.668   18.717  315.081   18.562  214.525   6.4383  215.358   6.3603 -0.8332062 9.050152 
1 1 1    5    2   60 o  186.071   4.4644  235.329   11.251  226.703   15.925  243.924   15.897  182.656   6.4338  189.486   6.1910 -6.830521 8.928719 
1 1 1    5    2   61 o   58.318   7.1260   23.547   5.5087   23.867   8.0281   23.263   7.5728   58.235   10.562   58.400   9.5688 -0.1655846 14.25191 
1 1 1    5    2   62 o  184.234   5.5672  234.008   13.042  222.384   22.487  239.899   16.010  180.585   9.1888  187.882   6.2880 -7.296570 11.13434 
1 1 1    5    2   63 o  220.492   5.6047  329.778   15.792  334.935   27.432  327.221   19.314  221.595   9.1350  219.388   6.4964 2.207016 11.20943 
1 1 1    5    2   64 o  148.411   4.7220  149.781   9.4961  151.322   13.515  148.278   13.346  149.164   6.6860  147.657   6.6697 1.506866 9.443900 
1 1 1    5    2   65 o  229.177   4.6644  357.112   14.482  369.728   20.672  344.954   20.294  233.157   6.5426  225.196   6.6499 7.960770 9.328835 
1 1 1    5    2   66 o  166.628   6.6247  188.896   14.959   0.0000   0.0000  188.896   14.959  ?   ?   166.628   6.6247      ?      ? 
1 1 1    5    2   67 o  161.584   5.8896  180.223   12.114  184.458   14.882  171.902   20.858  164.631   6.6705  158.537   9.7085 6.093246 11.77922 
1 1 1    5    2   68 o   97.683   7.9852   65.098   10.570   65.098   10.570   0.0000   0.0000   97.683   7.9852  ?   ?       ?      ? 
1 1 1    5    2   69 o  150.966   4.7794  155.088   9.7709  163.246   14.058  147.464   13.590  154.809   6.7010  147.123   6.8166 7.686813 9.558732 
1 1 1    5    2   70 o  199.155   4.7039  270.267   12.694  272.019   18.101  268.571   17.806  199.784   6.6857  198.525   6.6187 1.258881 9.407788 
1 1 1    5    2   71 o  196.648   4.6941  263.590   12.505  272.837   17.870  254.717   17.506  200.036   6.5923  193.262   6.6843 6.773987 9.388231 
1 1 1    5    2   72 o  175.455   4.7129  210.118   11.201  209.051   16.047  211.133   15.642  175.001   6.7666  175.909   6.5619 -0.9079742 9.425762 
1 1 1    5    2   73 o  213.010   5.9654  319.543   16.055  287.756   27.560  335.872   19.753  204.246   9.9572  221.774   6.5726 -17.52776 11.93083 
1 1 1    5    2   74 o  200.469   4.7486  274.249   12.883  294.362   18.657  255.918   17.812  207.502   6.6350  193.436   6.7950 14.06590 9.497121 
1 1 1    5    2   75 o  140.191   4.8858  134.418   9.2746  141.619   13.400  127.796   12.849  143.796   6.8768  136.585   6.9423 7.211838 9.771661 
1 1 1    5    2   76 o   77.392   6.3101   41.641   6.5780   37.404   9.4555   45.615   9.1570   73.452   9.4995   81.332   8.3083 -7.879921 12.62018 
1 1 1    5    2   77 o   59.018   9.1239   27.925   6.9084   17.043   12.041   33.264   8.4346   48.772   15.882   69.263   8.9863 -20.49023 18.24780 
1 1 1    5    2   78 o  145.048   4.8345  144.457   9.4735  160.853   13.696  129.415   13.118  152.999   6.6056  137.098   7.0609 15.90013 9.669006 
1 1 1    5    2   79 o   89.719   5.7448   55.839   6.9573   62.483   9.9865   49.572   9.6981   94.997   7.7575   84.440   8.4753 10.55684 11.48952 
1 1 1    5    2   80 o  104.068   5.3983   75.142   7.6091   72.453   10.766   77.825   10.755  102.162   7.7768  105.974   7.4893 -3.811165 10.79665 
1 1 1    5    2   81 o   36.829   9.9140   7.5367   6.4217   6.7037   7.6954   9.4474   11.654   33.644   12.562   40.014   15.341 -6.369583 19.82800 
1 1 1    5    2   82 o   92.401   6.8098   55.856   8.1201   46.036   9.8169   77.132   14.449   80.814   8.9641  103.987   10.254 -23.17223 13.61970 
1 1 1    5    2   83 o   49.047   9.8204   16.972   6.4297   24.094   11.688   13.881   7.6996   55.228   15.157   42.865   12.491 12.36287 19.64072 
1 1 1    5    2   84 o   40.421   9.1286   12.250   5.6637   10.931   8.4041   13.348   7.6661   38.889   13.281   41.954   12.527 -3.065174 18.25717 
1 1 1    5    2   85 o  136.812   5.0254  130.965   9.3170  130.603   13.175  131.327   13.177  136.617   7.1164  137.007   7.0975 -0.3895416 10.05075 
1 1 1    5    2   86 f  127.091   6.4597  113.177   10.399  123.137   18.581  108.635   12.548  129.916   10.554  124.267   7.4514 5.648674 12.91932 
1 1 1    5    2   87 o   61.348   7.9285   28.341   6.3947   33.503   9.1026   23.312   8.9855   67.933   9.8879   54.764   12.397 13.16911 15.85703 
1 1 1    5    2   88 o   64.392   7.3910   30.825   6.2887   28.302   8.9007   33.340   8.8863   61.044   11.171   67.740   9.6804 -6.695660 14.78202 
1 1 1    5    2   89 o   36.863   8.9664   9.0558   6.5091  -4.4111   10.748   16.855   8.1795   27.631   12.669   46.096   12.692 -18.46582 17.93274 
1 1 1    5    2   90 o   52.219   9.9546   21.239   7.0169   28.193   11.728   17.363   8.7571   58.093   14.843   46.344   13.268 11.74884 19.90916 
1 1 1    5    2   91 o   48.923   10.206   19.791   7.0519   21.365   11.687   18.889   8.8433   49.769   15.587   48.077   13.180 1.691792 20.41222 
1 1 1    5    2   92 o   54.619   10.076   24.801   7.2983   27.230   12.325   23.489   9.0567   55.513   15.689   53.725   12.649 1.788021 20.15282 
1 1 1    5    2   93 f   38.961   10.918   11.368   8.6253   14.152   12.324   8.6956   12.076   41.299   15.789   36.622   15.083 4.677368 21.83540 
1 1 1    5    2   94 o   30.516   13.721   0.5296   11.867   0.5296   11.867   0.0000   0.0000   30.516   13.721  ?   ?       ?      ? 
1 1 1    5    2   95 o   36.042   15.067   9.2114   12.306   9.2114   12.306   0.0000   0.0000   36.042   15.067  ?   ?       ?      ? 
1 1 1    5    2   96 o   41.120   16.103   16.439   13.046   16.439   13.046   0.0000   0.0000   41.120   16.103  ?   ?       ?      ? 
1 1 1    5    3    0 o  717.903   8.3670  3493.97   81.384  3559.85  116.418  3431.00  113.816  724.518   11.857  711.288   11.808 13.23029 16.73396 
1 1 1    5    3    1 o  1260.43   17.198 10901.03  278.986 10490.74  471.079 11122.67  346.235  1241.24   28.006  1279.62   19.967 -38.38684 34.39509 
1 1 1    5    3    2 o  1243.84   16.982 10617.29  271.949 10210.00  458.806 10837.89  337.658  1224.53   27.649  1263.14   19.726 -38.61145 33.96434 
1 1 1    5    3    3 o  536.909   9.3687  1954.54   68.148  1909.96   95.101  2001.59   97.703  530.621   13.226  543.198   13.273 -12.57654 18.73737 
1 1 1    5    3    4 o  563.090   9.7178  2150.80   74.147  2181.61  105.627  2120.88  104.109  567.064   13.746  559.116   13.741 7.948608 19.43563 
1 1 1    5    3    5 o  987.788   15.788  6630.51  211.273  6798.25  303.572  6472.95  294.217  999.885   22.404  975.692   22.252 24.19299 31.57696 
1 1 1    5    3    6 o  550.900   9.5566  2058.64   71.336  2096.54  101.803  2022.07   99.988  555.881   13.514  545.919   13.516 9.962830 19.11320 
1 1 1    5    3    7 o  395.867   5.3127  1062.29   28.500  1064.06   40.308  1060.52   40.304  396.197   7.5075  395.538   7.5192 0.6588135 10.62548 
1 1 1    5    3    8 o  546.076   6.6803  2021.58   49.430  1992.46   69.305  2051.73   70.520  542.075   9.4345  550.077   9.4603 -8.002197 13.36069 
1 1 1    5    3    9 o  482.714   8.6434  1579.86   56.540   0.0000   0.0000  1579.86   56.540  ?   ?   482.714   8.6434      ?      ? 
1 1 1    5    3   10 o  749.617   12.301  3812.96  124.962  3812.96  124.962   0.0000   0.0000  749.617   12.301  ?   ?       ?      ? 
1 1 1    5    3   11 o  764.807   17.739  3976.48  183.849  3976.48  183.849   0.0000   0.0000  764.807   17.739  ?   ?       ?      ? 
1 1 1    5    3   12 o  680.612   9.8125  3154.59   85.540  3173.15  105.201  3118.38  146.949  683.825   11.353  677.399   16.008 6.425537 19.62490 
1 1 1    5    3   13 o  444.564   5.7473  1340.24   34.624  1339.86   48.862  1340.61   49.070  444.502   8.1118  444.626   8.1441 -0.1233215 11.49466 
1 1 1    5    3   14 o  324.209   4.7377  712.460   20.811  732.038   29.670  693.498   29.199  328.594   6.6630  319.825   6.7371 8.768890 9.475437 
1 1 1    5    3   15 o  441.827   8.1338  1323.96   48.700   0.0000   0.0000  1323.96   48.700  ?   ?   441.827   8.1338      ?      ? 
1 1 1    5    3   16 o  347.312   4.9183  817.889   23.147  830.145   32.848  805.800   32.623  349.897   6.9277  344.726   6.9834 5.170746 9.836672 
1 1 1    5    3   18 o  462.030   8.4206  1448.04   52.723   0.0000   0.0000  1448.04   52.723  ?   ?   462.030   8.4206      ?      ? 
1 1 1    5    3   19 o  219.463   4.9419  321.654   13.738  313.087   16.585  340.385   24.523  214.905   5.6951  224.021   8.0780 -9.116165 9.883718 
1 1 1    5    3   20 o  473.586   6.0302  1521.31   38.700  1525.53   54.694  1517.08   54.767  474.244   8.5105  472.927   8.5456 1.317047 12.06048 
1 1 1    5    3   23 o  759.964   12.513  3920.20  128.866  3920.20  128.866   0.0000   0.0000  759.964   12.513  ?   ?       ?      ? 
1 1 1    5    3   24 o  612.027   7.3622  2540.83   61.061  2543.47   86.297  2538.19   86.409  612.346   10.400  611.708   10.424 0.6381836 14.72442 
1 1 1    5    3   26 o  698.091   11.663  3306.00  110.330   0.0000   0.0000  3306.00  110.330  ?   ?   698.091   11.663      ?      ? 
1 1 1    5    3   29 o  721.514   8.4521  3531.48   82.640  3522.78  116.563  3540.26  117.180  720.622   11.936  722.406   11.970 -1.784058 16.90428 
1 1 1    5    3   30 o  527.216   6.5728  1883.91   46.949  1931.27   67.197  1838.74   65.623  533.687   9.2914  520.745   9.2992 12.94153 13.14554 
1 1 1    5    3   31 o  429.449   8.0445  1250.32   46.816  1250.32   46.816   0.0000   0.0000  429.449   8.0445  ?   ?       ?      ? 
1 1 1    5    3   32 o  681.084   9.8686  3148.96   85.814  3149.76  105.044  3147.36  148.795  681.414   11.376  680.755   16.129 0.6586304 19.73720 
1 1 1    5    3   33 o  860.430   12.104  5058.20  133.565  5118.50  164.743  4942.55  228.159  868.348   14.000  852.513   19.749 15.83484 24.20831 
1 1 1    5    3   34 o  577.228   7.0496  2259.45   55.138  2297.23   78.574  2222.80   77.394  581.981   9.9630  572.474   9.9763 9.506775 14.09920 
1 1 1    5    3   35 o  331.822   4.9297  746.436   22.167  746.870   31.250  745.997   31.448  331.920   6.9475  331.724   6.9957 0.1954956 9.859387 
1 1 1    5    3   36 f  567.085   8.5509  2199.31   62.239  2235.84   76.927  2130.09  105.900  574.114   9.8878  560.057   13.953 14.05615 17.10171 
1 1 1    5    3   37 o  575.216   8.7160  2291.09   64.910  2412.32   81.863  2085.81  106.527  596.298   10.131  554.134   14.186 42.16339 17.43203 
1 1 1    5    3   38 o  551.253   9.6659  2063.24   72.190  2118.81  103.334  2010.26  100.895  558.502   13.653  544.005   13.686 14.49768 19.33190 
1 1 1    5    3   39 o  479.328   7.5671  1538.74   45.972  1502.70   55.570  1616.91   81.833  470.681   8.7123  487.974   12.375 -17.29279 15.13430 
1 1 1    5    3   40 o  457.594   6.0041  1420.02   37.227  1448.77   53.084  1392.20   52.221  462.152   8.4761  453.037   8.5060 9.114929 12.00816 
1 1 1    5    3   41 o  454.089   5.9738  1398.73   36.759  1391.25   51.761  1406.35   52.212  452.864   8.4343  455.314   8.4621 -2.450195 11.94754 
1 1 1    5    3   42 o  355.619   6.3383  850.751   28.677  879.548   50.484  837.033   34.844  359.936   10.350  351.302   7.3192 8.634155 12.67652 
1 1 1    5    3   43 o  461.039   12.132  1444.53   75.799  1444.53   75.799   0.0000   0.0000  461.039   12.132  ?   ?       ?      ? 
1 1 1    5    3   44 o  604.045   9.0292  2485.98   69.870  2466.92  120.083  2495.74   85.909  601.927   14.722  606.163   10.458 -4.235596 18.05832 
1 1 1    5    3   45 o  382.813   5.4293  994.393   28.164  986.003   39.765  1002.84   39.897  381.191   7.6979  384.435   7.6583 -3.243469 10.85852 
1 1 1    5    3   46 o  114.873   4.5284   89.520   7.0485   88.477   9.9988   90.551   9.9376  114.206   6.4607  115.539   6.3470 -1.333344 9.056755 
1 1 1    5    3   47 o  247.024   4.5119  413.715   15.097  396.855   21.090  431.434   21.621  241.863   6.4346  252.185   6.3265 -10.32234 9.023775 
1 1 1    5    3   48 o  249.884   4.5323  423.620   15.346  431.790   21.804  415.599   21.603  252.273   6.3779  247.494   6.4412 4.778381 9.064544 
1 1 1    5    3   49 o  248.292   4.5245  418.321   15.223  416.983   21.513  419.663   21.545  247.894   6.4040  248.690   6.3931 -0.7958679 9.048983 
1 1 1    5    3   50 f  403.969   6.8741  1103.60   35.297  1092.17   42.914  1127.49   62.059  401.003   7.8972  406.934   11.254 -5.931030 13.74812 
1 1 1    5    3   51 o  402.072   7.8889  1098.19   42.984  1098.19   42.984   0.0000   0.0000  402.072   7.8889  ?   ?       ?      ? 
1 1 1    5    3   52 o  136.665   4.4425  126.657   8.2066  139.539   11.807  114.619   11.414  143.389   6.0765  129.942   6.4821 13.44769 8.884950 
1 1 1    5    3   53 o  208.280   5.3281  293.031   14.266  289.450   17.535  300.044   24.536  206.494   6.2663  210.066   8.6191 -3.571777 10.65617 
1 1 1    5    3   54 o  353.180   6.3564  832.263   28.493  803.534   34.405  894.984   50.835  343.898   7.3825  362.462   10.350 -18.56369 12.71277 
1 1 1    5    3   55 o  191.246   6.2578  248.341   16.218  248.341   16.218   0.0000   0.0000  191.246   6.2578  ?   ?       ?      ? 
1 1 1    5    3   56 o  112.428   4.7222   85.688   7.1751   94.947   10.386   77.234   9.9241  118.235   6.4822  106.622   6.8685 11.61328 9.444302 
1 1 1    5    3   57 o  189.068   4.4506  242.814   11.401  238.317   16.136  247.297   16.111  187.315   6.3570  190.820   6.2305 -3.505569 8.901208 
1 1 1    5    3   58 o  173.994   6.4551  205.673   15.220  205.673   15.220   0.0000   0.0000  173.994   6.4551  ?   ?       ?      ? 
1 1 1    5    3   59 o  125.180   5.7691   99.984   9.0583  124.393   16.992   90.294   10.706  135.103   9.2811  115.257   6.8548 19.84653 11.53811 
1 1 1    5    3   60 o  160.755   5.5378  178.528   11.292  168.111   19.514  183.773   13.846  157.047   9.1691  164.464   6.2125 -7.416840 11.07556 
1 1 1    5    3   61 o  126.812   5.6646  106.023   9.1888  119.872   16.307   99.580   11.123  132.603   9.0748  121.022   6.7822 11.58025 11.32917 
1 1 1    5    3   62 o  157.987   4.6100  169.692   9.8673  169.298   14.105  170.070   13.808  157.801   6.5961  158.173   6.4421 -0.3720703 9.220079 
1 1 1    5    3   63 o  217.031   4.6593  320.242   13.687  299.494   19.179  341.773   19.538  209.850   6.7444  224.211   6.4305 -14.36122 9.318694 
1 1 1    5    3   64 o  152.399   4.6889  157.750   9.6760  166.448   13.956  149.699   13.427  156.443   6.5830  148.355   6.6788 8.088043 9.377741 
1 1 1    5    3   65 o  296.348   5.0058  597.618   20.101  586.438   28.189  609.184   28.671  293.528   7.0866  299.169   7.0720 -5.641022 10.01168 
1 1 1    5    3   66 o  221.470   5.8427  332.795   16.410  329.645   19.916  339.456   28.959  220.097   6.6774  222.842   9.5896 -2.744843 11.68532 
1 1 1    5    3   67 o  142.111   4.8919  137.051   9.3707  158.060   13.664  118.398   12.875  152.388   6.6168  131.834   7.2069 20.55348 9.783751 
1 1 1    5    3   68 o  200.385   4.7125  273.443   12.796  268.941   18.076  277.965   18.116  198.724   6.7122  202.045   6.6166 -3.321213 9.425070 
1 1 1    5    3   69 o  172.438   5.7985  207.182   12.863  217.056   16.085  189.668   21.422  178.494   6.6500  166.382   9.5010 12.11214 11.59706 
1 1 1    5    3   70 o   41.681   8.7514   11.773   5.7888   4.3378   8.4418   18.372   7.9534   32.761   12.915   50.602   11.813 -17.84054 17.50289 
1 1 1    5    3   71 o  166.766   4.7603  189.802   10.755  186.100   15.284  193.433   15.136  165.138   6.8299  168.394   6.6329 -3.256470 9.520658 
1 1 1    5    3   72 o  142.421   4.8608  138.481   9.3783  141.205   13.477  135.923   13.059  143.771   6.9173  141.071   6.8309 2.700150 9.721664 
1 1 1    5    3   73 o  167.137   4.8620  191.326   10.990  184.339   15.868  197.766   15.235  164.142   7.1338  170.132   6.6080 -5.989944 9.723982 
1 1 1    5    3   74 o  196.885   5.7733  255.223   14.355  297.416   26.263  237.247   17.142  207.571   9.3366  186.199   6.7937 21.37245 11.54665 
1 1 1    5    3   75 o  133.157   5.8952  116.253   10.081  140.728   17.940  104.960   12.186  142.640   9.2812  123.674   7.2713 18.96561 11.79031 
1 1 1    5    3   76 o   77.643   6.2303   41.528   6.5407   44.572   9.6459   38.938   8.8991   80.254   8.8693   75.031   8.7523 5.222916 12.46063 
1 1 1    5    3   77 o   85.723   5.8154   50.770   6.7500   51.928   9.7856   49.719   9.3231   86.631   8.3354   84.815   8.1116 1.816078 11.63087 
1 1 1    5    3   78 o  131.364   4.9744  118.923   8.8320  107.998   12.363  130.311   12.622  125.120   7.2913  137.608   6.7687 -12.48816 9.948752 
1 1 1    5    3   79 o   86.418   7.1322   49.924   8.0314   43.594   9.8557   62.437   13.856   78.943   9.2128   93.893   10.890 -14.94996 14.26441 
1 1 1    5    3   80 o   38.473   10.392   7.3034   7.8937   1.0395   10.986   13.988   11.349   32.481   13.932   44.466   15.423 -11.98512 20.78419 
1 1 1    5    3   81 o   73.070   6.5605   37.528   6.4679   42.618   9.4125   32.975   8.9028   77.856   8.9213   68.283   9.6213 9.573479 13.12092 
1 1 1    5    3   82 o   88.646   5.8252   55.187   6.9745   60.735   9.9335   49.792   9.7948   93.179   7.8669   84.113   8.5931 9.065773 11.65032 
1 1 1    5    3   83 o   28.915   8.6704   1.5910   5.8791   3.3180   7.5155  -1.1325   9.4375   29.419   11.982   28.410   12.536 1.009087 17.34081 
1 1 1    5    3   84 o   63.251   7.2522   29.058   6.0226   34.628   8.8404   24.234   8.2272   69.617   9.3708   56.886   11.071 12.73098 14.50439 
1 1 1    5    3   85 o  106.377   5.5126   80.096   7.8786   68.176   11.100   92.198   11.184   98.061   8.3531  114.693   7.1960 -16.63175 11.02528 
1 1 1    5    3   86 o  117.118   5.3254   96.658   8.4475  100.825   12.013   92.582   11.881  119.689   7.4067  114.547   7.6539 5.141983 10.65086 
1 1 1    5    3   87 o   96.910   8.4061   66.994   11.039   0.0000   0.0000   66.994   11.039  ?   ?    96.910   8.4061      ?      ? 
1 1 1    5    3   88 o   76.677   8.6023   46.561   8.0824   38.979   13.399   50.898   10.134   69.266   14.728   84.088   8.8931 -14.82170 17.20462 
1 1 1    5    3   89 o   51.891   9.9816   23.109   7.3585   16.329   12.256   26.931   9.2015   44.949   15.992   58.833   11.949 -13.88308 19.96327 
1 1 1    5    3   90 o   49.720   10.199   21.600   7.5375   14.279   12.711   25.571   9.3611   42.732   16.107   56.707   12.517 -13.97472 20.39891 
1 1 1    5    3   91 o   67.087   9.7222   36.110   8.2387   39.948   13.892   34.027   10.232   68.390   15.365   65.784   11.917 2.606224 19.44445 
1 1 1    5    3   92 o   45.412   11.419   17.632   9.1941   10.831   12.969   24.505   13.036   39.034   15.797   51.790   16.493 -12.75513 22.83783 
1 1 1    5    3   93 o   46.718   11.432   18.762   9.5715   8.0509   13.217   30.574   13.880   36.608   15.476   56.828   16.830 -20.22032 22.86420 
1 1 1    5    3   94 o   33.337   10.138   4.3387   8.5804  -2.4334   12.312   10.734   11.964   29.205   13.453   37.469   15.170 -8.264067 20.27573 
1 1 1    5    3   95 o   56.026   16.678   31.460   13.603   31.460   13.603   0.0000   0.0000   56.026   16.678  ?   ?       ?      ? 
1 1 1    5    3   96 o   29.482   13.484   0.2766   12.074   0.2766   12.074   0.0000   0.0000   29.482   13.484  ?   ?       ?      ? 
1 1 1    5    4    0 o  685.852   8.0588  3190.60   74.900  3198.39  106.065  3182.85  105.784  686.687   11.398  685.016   11.396 1.670654 16.11753 
1 1 1    5    4    1 o  587.084   7.0935  2336.76   56.426  2303.00   79.014  2371.90   80.609  582.759   10.005  591.410   10.058 -8.651123 14.18690 
1 1 1    5    4    2 o  580.713   8.5772  2280.54   63.573  2266.32   77.669  2309.40  110.663  578.100   9.9142  583.327   13.999 -5.227112 17.15441 
1 1 1    5    4    3 f  388.667   6.4180  1027.44   31.973  1034.07   39.353  1014.55   54.841  390.566   7.4353  386.769   10.463 3.796875 12.83606 
1 1 1    5    4    4 o  476.450   7.3744  1541.03   44.978  1543.90   55.224  1535.37   77.518  477.188   8.5399  475.712   12.025 1.475983 14.74874 
1 1 1    5    4    5 o  584.848   9.9831  2319.84   79.121  2319.84   79.121   0.0000   0.0000  584.848   9.9831  ?   ?       ?      ? 
1 1 1    5    4    6 o  340.252   9.8096  785.203   45.231  785.203   45.231   0.0000   0.0000  340.252   9.8096  ?   ?       ?      ? 
1 1 1    5    4    7 o  347.805   7.0364  820.529   33.163  820.619   46.758  820.437   47.044  347.826   9.9200  347.785   9.9818 0.4098511E-01 14.07274 
1 1 1    5    4    8 o  305.452   5.3426  626.045   18.911  620.066   21.654  645.260   38.821  302.463   5.2831  308.442   9.2877 -5.978882 10.68515 
1 1 1    5    4    9 o  234.188   4.1032  371.726   13.021  367.716   18.312  375.828   18.519  232.911   5.8018  235.466   5.8039 -2.555023 8.206470 
1 1 1    5    4   10 o  467.024   5.9754  1479.19   37.816  1470.54   53.282  1487.98   53.680  465.647   8.4439  468.401   8.4570 -2.753387 11.95076 
1 1 1    5    4   11 o  292.517   6.3663  580.099   25.236  580.099   25.236   0.0000   0.0000  292.517   6.3663  ?   ?       ?      ? 
1 1 1    5    4   12 o  362.451   5.0640  890.661   24.871  880.153   34.898  901.505   35.453  360.280   7.1480  364.622   7.1751 -4.342957 10.12796 
1 1 1    5    4   13 o  465.950   5.9659  1472.67   37.670  1471.97   53.179  1473.37   53.369  465.840   8.4240  466.059   8.4501 -0.2189636 11.93181 
1 1 1    5    4   14 o  240.325   4.1683  391.492   13.574  386.827   19.047  396.306   19.349  238.871   5.8840  241.780   5.9056 -2.908768 8.336509 
1 1 1    5    4   15 o  369.104   5.1201  923.840   25.609  920.247   36.057  927.499   36.379  368.380   7.2229  369.827   7.2589 -1.447113 10.24019 
1 1 1    5    4   16 o  179.326   3.8632  217.992   9.3865  217.929   13.157  218.058   13.396  179.301   5.4148  179.352   5.5115 -0.5157471E-01 7.726380 
1 1 1    5    4   17 o  164.523   3.8213  183.487   8.5172  183.582   11.907  183.387   12.188  164.568   5.3391  164.479   5.4683 0.8900452E-01 7.642558 
1 1 1    5    4   18 o  263.589   8.7780  471.290   31.355   0.0000   0.0000  471.290   31.355  ?   ?   263.589   8.7780      ?      ? 
1 1 1    5    4   19 o  561.283   8.4313  2143.01   60.424  2151.75   74.041  2125.59  104.551  563.180   9.7015  559.387   13.792 3.793152 16.86254 
1 1 1    5    4   20 o  583.411   7.0758  2309.07   55.941  2315.40   79.101  2302.74   79.124  584.211   9.9915  582.610   10.022 1.601196 14.15156 
1 1 1    5    4   21 o  699.763   11.661  3322.90  110.577   0.0000   0.0000  3322.90  110.577  ?   ?   699.763   11.661      ?      ? 
1 1 1    5    4   22 o  997.534   22.549  6777.38  304.815  6777.38  304.815   0.0000   0.0000  997.534   22.549  ?   ?       ?      ? 
1 1 1    5    4   23 o  926.058   12.882  5763.04  151.188  6014.76  268.685  5646.40  182.890  940.194   21.088  911.923   14.800 28.27051 25.76328 
1 1 1    5    4   24 o  453.551   5.9068  1394.67   36.304  1405.91   51.418  1383.51   51.265  455.373   8.3323  451.728   8.3745 3.644623 11.81351 
1 1 1    5    4   25 o  838.944   11.802  4769.96  126.313  4811.34  219.836  4749.58  154.332  841.316   19.282  836.572   13.613 4.744202 23.60363 
1 1 1    5    4   26 o  1279.30   28.541 11165.56  494.795 11165.56  494.795   0.0000   0.0000  1279.30   28.541  ?   ?       ?      ? 
1 1 1    5    4   28 o  467.628   6.0328  1482.31   38.226  1513.56   54.447  1451.93   53.680  472.489   8.5035  462.767   8.5598 9.721405 12.06567 
1 1 1    5    4   29 o  327.320   9.7530  726.525   43.261   0.0000   0.0000  726.525   43.261  ?   ?   327.320   9.7530      ?      ? 
1 1 1    5    4   30 o  427.581   11.393  1240.18   66.013   0.0000   0.0000  1240.18   66.013  ?   ?   427.581   11.393      ?      ? 
1 1 1    5    4   31 o  201.433   5.7964  275.009   15.822  275.009   15.822   0.0000   0.0000  201.433   5.7964  ?   ?       ?      ? 
1 1 1    5    4   32 o  482.481   8.7891  1578.48   57.466   0.0000   0.0000  1578.48   57.466  ?   ?   482.481   8.7891      ?      ? 
1 1 1    5    4   33 o  599.485   7.2782  2437.73   59.127  2453.09   83.703  2422.42   83.533  601.372   10.271  597.598   10.315 3.774292 14.55647 
1 1 1    5    4   34 o  497.755   9.0200  1680.26   60.842   0.0000   0.0000  1680.26   60.842  ?   ?   497.755   9.0200      ?      ? 
1 1 1    5    4   35 o  555.523   6.8845  2093.16   51.824  2075.47   72.775  2111.35   73.815  553.145   9.7087  557.902   9.7635 -4.756958 13.76897 
1 1 1    5    4   36 o  631.266   7.5949  2703.86   64.967  2684.13   91.310  2724.09   92.455  628.936   10.713  633.596   10.768 -4.659851 15.18974 
1 1 1    5    4   37 o  287.041   5.6720  545.323   20.641  522.325   24.856  596.424   37.051  277.565   6.6081  296.517   9.2207 -18.95193 11.34407 
1 1 1    5    4   38 o  332.728   6.0862  745.116   25.761  734.357   31.309  767.666   45.326  329.097   7.0203  336.359   9.9441 -7.261627 12.17247 
1 1 1    5    4   39 o  311.053   4.8410  655.798   20.402  641.612   28.525  670.655   29.191  307.611   6.8429  314.496   6.8495 -6.884827 9.681975 
1 1 1    5    4   40 o  505.031   9.0860  1730.60   62.184  1730.60   62.184   0.0000   0.0000  505.031   9.0860  ?   ?       ?      ? 
1 1 1    5    4   41 o  397.653   6.7262  1073.51   34.284  1072.40   58.968  1074.07   42.138  397.389   10.950  397.917   7.8145 -0.5277100 13.45249 
1 1 1    5    4   42 o  449.576   11.838  1373.44   72.120  1373.44   72.120   0.0000   0.0000  449.576   11.838  ?   ?       ?      ? 
1 1 1    5    4   43 o  646.098   15.614  2844.15  136.706   0.0000   0.0000  2844.15  136.706  ?   ?   646.098   15.614      ?      ? 
1 1 1    5    4   44 o  716.163   17.006  3500.36  165.043  3500.36  165.043   0.0000   0.0000  716.163   17.006  ?   ?       ?      ? 
1 1 1    5    4   45 o  719.855   12.039  3525.12  117.436  3525.12  117.436   0.0000   0.0000  719.855   12.039  ?   ?       ?      ? 
1 1 1    5    4   46 o  477.656   6.2173  1549.49   40.243  1560.26   57.039  1538.81   56.788  479.311   8.7815  476.002   8.8036 3.308472 12.43458 
1 1 1    5    4   47 o  459.550   8.5674  1434.38   53.354  1434.38   53.354   0.0000   0.0000  459.550   8.5674  ?   ?       ?      ? 
1 1 1    5    4   48 o  400.203   6.8562  1096.57   35.098  1112.79   43.211  1065.14   60.171  404.809   7.8771  395.598   11.224 9.210480 13.71233 
1 1 1    5    4   49 o   71.479   8.1716   34.708   7.9154   0.0000   0.0000   34.708   7.9154  ?   ?    71.479   8.1716      ?      ? 
1 1 1    5    4   50 o  354.779   5.2320  854.084   25.144  828.581   34.977  881.358   36.171  349.304   7.3892  360.255   7.4092 -10.95059 10.46404 
1 1 1    5    4   51 o  233.514   4.5199  369.655   14.280  400.303   20.569  341.142   19.840  242.854   6.2501  224.173   6.5309 18.68044 9.039758 
1 1 1    5    4   52 o  286.627   6.7385  557.842   26.173  557.842   26.173   0.0000   0.0000  286.627   6.7385  ?   ?       ?      ? 
1 1 1    5    4   53 o  301.902   6.8811  619.034   28.152  619.034   28.152   0.0000   0.0000  301.902   6.8811  ?   ?       ?      ? 
1 1 1    5    4   54 o  142.356   5.3353  138.301   9.8177  139.671   12.209  135.794   16.515  143.424   6.2819  141.288   8.6255 2.135696 10.67061 
1 1 1    5    4   55 o  186.110   4.4661  235.155   11.252  250.281   16.074  220.624   15.755  191.986   6.1784  180.235   6.4506 11.75069 8.932188 
1 1 1    5    4   56 o  339.057   7.2944  781.411   33.516  781.411   33.516   0.0000   0.0000  339.057   7.2944  ?   ?       ?      ? 
1 1 1    5    4   57 o  192.579   4.4743  251.757   11.673  260.064   16.750  243.914   16.275  195.666   6.3172  189.492   6.3379 6.174271 8.948523 
1 1 1    5    4   58 o  184.469   5.4738  230.064   12.903  235.775   22.466  227.253   15.762  186.047   8.9108  182.891   6.3598 3.156128 10.94753 
1 1 1    5    4   59 o  327.422   7.2582  729.078   32.205   0.0000   0.0000  729.078   32.205  ?   ?   327.422   7.2582      ?      ? 
1 1 1    5    4   60 o  170.635   5.5750  193.430   12.065  211.615   21.636  185.223   14.534  176.190   9.0616  165.080   6.4971 11.11067 11.15010 
1 1 1    5    4   61 o  371.216   5.4633  937.127   27.470  975.526   39.522  901.242   38.207  378.570   7.7040  363.861   7.7486 14.70874 10.92666 
1 1 1    5    4   62 o  210.889   4.6627  301.555   13.300  328.639   19.343  277.265   18.318  219.857   6.4923  201.921   6.6944 17.93607 9.325467 
1 1 1    5    4   63 o  207.906   4.6512  293.923   13.103  296.361   18.674  291.560   18.391  208.752   6.6012  207.060   6.5542 1.692261 9.302329 
1 1 1    5    4   64 o  391.360   6.9596  1043.77   34.680  1038.04   42.293  1055.54   60.588  390.296   7.9964  392.424   11.393 -2.128357 13.91926 
1 1 1    5    4   65 o  345.597   7.5330  813.625   35.279  813.625   35.279   0.0000   0.0000  345.597   7.5330  ?   ?       ?      ? 
1 1 1    5    4   66 o   70.745   6.7636   34.421   6.4459   30.971   9.2766   37.641   8.9633   67.255   10.178   74.235   8.9099 -6.980293 13.52730 
1 1 1    5    4   67 o  211.950   4.7111  305.900   13.530  302.913   19.202  308.844   19.067  210.914   6.7184  212.986   6.6060 -2.072540 9.422151 
1 1 1    5    4   68 o  204.400   6.7123  284.620   18.592  284.620   18.592   0.0000   0.0000  204.400   6.7123  ?   ?       ?      ? 
1 1 1    5    4   69 f  117.601   6.0661   92.167   9.3399   85.704   11.612  104.010   15.719  112.031   7.6486  123.171   9.4175 -11.14002 12.13224 
1 1 1    5    4   70 o  147.736   5.9836  154.627   11.312  167.743   14.236  132.158   18.632  156.821   6.6990  138.651   9.9166 18.17021 11.96728 
1 1 1    5    4   71 o  173.199   4.7649  204.693   11.181  210.962   15.994  198.701   15.637  175.796   6.7136  170.602   6.7636 5.194397 9.529883 
1 1 1    5    4   72 o  249.382   4.8711  425.169   16.458  414.527   23.286  435.790   23.263  246.235   6.9785  252.529   6.7980 -6.293915 9.742245 
1 1 1    5    4   73 o  117.730   6.5691   97.650   9.6114   90.221   17.115  101.072   11.616  113.950   11.084  121.509   7.0544 -7.559265 13.13822 
1 1 1    5    4   74 o  145.789   6.8085  145.564   13.451   0.0000   0.0000  145.564   13.451  ?   ?   145.789   6.8085      ?      ? 
1 1 1    5    4   75 f  139.792   6.8391  135.600   12.931  136.214   18.900  135.060   17.729  139.988   9.9630  139.596   9.3720 0.3916626 13.67825 
1 1 1    5    4   76 o  117.704   6.7263  101.942   9.8263   80.545   16.662  113.351   12.167  106.982   11.493  128.427   6.9912 -21.44421 13.45258 
1 1 1    5    4   77 o  119.835   5.2407   98.612   8.4900  108.294   12.460   90.220   11.600  125.323   7.3365  114.347   7.4858 10.97607 10.48149 
1 1 1    5    4   78 o   98.314   6.9894   68.729   8.7345   70.614   10.747   65.060   14.991  100.952   7.8559   95.676   11.563 5.276642 13.97888 
1 1 1    5    4   79 f   82.970   6.1551   48.058   6.9180   49.883   9.9093   46.322   9.6624   84.521   8.6515   81.418   8.7575 3.103134 12.31027 
1 1 1    5    4   80 o   96.514   5.7056   65.298   7.4195   58.514   10.622   71.760   10.368   91.416   8.5745  101.612   7.5295 -10.19591 11.41117 
1 1 1    5    4   81 o   84.553   6.0492   50.566   6.8681   43.517   9.7996   57.372   9.6285   78.480   9.2144   90.627   7.8401 -12.14627 12.09843 
1 1 1    5    4   82 o   65.895   6.9654   30.999   6.2191   31.250   8.8810   30.756   8.7117   66.138   9.9090   65.653   9.7919 0.4851074 13.93085 
1 1 1    5    4   83 o   55.817   8.3238   23.717   6.0992   26.688   8.4922   20.552   8.7654   59.923   10.858   51.710   12.620 8.212128 16.64770 
1 1 1    5    4   84 o   72.899   7.8668   36.392   7.4877   29.856   9.2036   49.185   12.877   64.096   10.596   81.703   11.631 -17.60690 15.73362 
1 1 1    5    4   85 o  117.030   5.4468   96.557   8.6183   88.219   12.041  105.316   12.341  111.698   7.9547  122.361   7.4426 -10.66321 10.89356 
1 1 1    5    4   86 o   98.379   7.1327   70.370   8.9425   70.559   15.449   70.275   10.966   97.289   11.718   99.468   8.1358 -2.178329 14.26543 
1 1 1    5    4   87 o   47.715   9.8269   19.278   7.0538   11.209   12.034   23.502   8.7062   40.367   15.560   55.063   12.006 -14.69558 19.65388 
1 1 1    5    4   88 o   61.204   11.188   28.585   8.9375   0.0000   0.0000   28.585   8.9375  ?   ?    61.204   11.188      ?      ? 
1 1 1    5    4   89 o   50.675   7.8206   22.013   7.5098 -11.6890   12.549   40.815   9.3733   26.476   12.621   74.873   9.2381 -48.39749 15.64111 
1 1 1    5    4   90 o   28.752   9.3015  -3.6602   8.1475  -1.7551   11.622  -5.5013   11.425   29.874   13.491   27.630   12.809 2.243917 18.60307 
1 1 1    5    4   91 f   45.217   11.550   16.837   9.4949   25.059   13.665   9.1627   13.202   52.339   16.909   38.094   15.738 14.24449 23.09974 
1 1 1    5    4   92 o   39.894   11.175   12.175   9.0854   8.7211   12.993   15.478   12.709   37.193   15.509   42.595   16.094 -5.401558 22.35067 
1 1 1    5    4   93 f   38.432   10.772   9.5171   9.0832  -0.8939   12.809   20.048   12.883   30.654   13.969   46.210   16.400 -15.55514 21.54349 
1 1 1    5    4   94 o   37.571   10.981   10.872   9.1071   9.8632   13.029   11.836   12.735   36.884   15.467   38.257   15.591 -1.372635 21.96135 
1 1 1    5    4   95 o   50.070   16.870   26.257   13.557   26.257   13.557   0.0000   0.0000   50.070   16.870  ?   ?       ?      ? 
1 1 1    5    5    0 o  305.087   5.7076  621.846   21.991  606.125   26.484  656.750   39.463  299.012   6.5361  311.162   9.3588 -12.14941 11.41524 
1 1 1    5    5    1 o  288.546   6.4857  564.388   25.352  548.222   35.353  581.503   36.376  284.295   9.1763  292.798   9.1679 -8.502747 12.97132 
1 1 1    5    5    2 o  443.001   7.0955  1326.85   40.022  1344.95   70.018  1318.06   48.776  445.139   11.607  440.862   8.1643 4.276520 14.19098 
1 1 1    5    5    3 o  320.985   4.7487  698.531   20.656  699.351   29.147  697.705   29.276  321.175   6.6968  320.795   6.7345 0.3793640 9.497447 
1 1 1    5    5    4 o  547.138   6.7276  2030.87   49.881  2033.01   70.510  2028.73   70.575  547.426   9.5048  546.849   9.5236 0.5772095 13.45513 
1 1 1    5    5    5 o  548.238   6.7367  2038.87   50.046  2016.66   70.257  2061.74   71.306  545.210   9.5091  551.266   9.5452 -6.056213 13.47346 
1 1 1    5    5    6 o  309.054   4.6596  647.583   19.514  647.455   27.496  647.712   27.700  309.024   6.5659  309.084   6.6134 -0.5999756E-01 9.319180 
1 1 1    5    5    7 o  731.794   9.8935  3634.77   84.635  3630.49   97.527  3647.83  170.322  731.462   9.8390  732.125   17.167 -0.6635132 19.78697 
1 1 1    5    5    8 o  684.640   9.3394  3153.99   74.282  3125.67   85.177  3243.93  151.796  678.749   9.2604  690.531   16.222 -11.78229 18.67874 
1 1 1    5    5    9 o  380.440   6.0858  979.263   26.915  976.858   30.918  986.785   54.688  379.592   6.0106  381.289   10.584 -1.697540 12.17168 
1 1 1    5    5   10 o  417.507   6.5157  1208.69   32.054  1236.72   37.317  1129.79   62.601  427.087   6.4478  407.927   11.324 19.16052 13.03142 
1 1 1    5    5   11 o  501.986   6.3116  1709.56   42.935  1712.06   60.717  1707.07   60.722  502.353   8.9191  501.620   8.9328 0.7333069 12.62321 
1 1 1    5    5   12 o  432.260   5.6790  1266.84   33.260  1241.67   46.501  1293.20   47.591  427.866   8.0200  436.653   8.0428 -8.786346 11.35807 
1 1 1    5    5   13 o  349.212   4.9823  826.527   23.572  807.302   32.916  846.765   33.772  345.046   7.0395  353.378   7.0524 -8.332245 9.964502 
1 1 1    5    5   14 o  137.931   3.8199  128.906   7.1384  125.374   9.9832  132.602   10.211  135.998   5.4170  139.864   5.3874 -3.865982 7.639886 
1 1 1    5    5   15 o  268.781   4.4044  489.669   16.041  482.758   22.495  496.819   22.880  266.852   6.2206  270.710   6.2368 -3.858093 8.808723 
1 1 1    5    5   16 o  494.839   8.8850  1660.85   59.580   0.0000   0.0000  1660.85   59.580  ?   ?   494.839   8.8850      ?      ? 
1 1 1    5    5   17 o  498.876   12.667  1689.62   85.633   0.0000   0.0000  1689.62   85.633  ?   ?   498.876   12.667      ?      ? 
1 1 1    5    5   18 o  659.893   11.111  2939.24   99.005  2725.75  133.372  3201.28  147.761  633.398   15.538  686.387   15.886 -52.98956 22.22155 
1 1 1    5    5   19 o  826.990   11.637  4625.35  122.616  4710.59  214.455  4583.94  149.454  832.235   19.015  821.744   13.421 10.49072 23.27474 
1 1 1    5    5   20 o  692.730   8.1683  3254.60   76.665  3200.73  107.160  3311.09  109.727  686.863   11.513  698.598   11.590 -11.73535 16.33660 
1 1 1    5    5   22 o  808.187   13.247  4432.46  145.083   0.0000   0.0000  4432.46  145.083  ?   ?   808.187   13.247      ?      ? 
1 1 1    5    5   23 o  573.792   7.0109  2232.22   54.508  2203.82   76.359  2261.73   77.834  570.073   9.8843  577.511   9.9455 -7.437439 14.02187 
1 1 1    5    5   24 o  676.374   8.0076  3099.30   73.347  2998.27  101.497  3209.73  106.114  664.855   11.265  687.893   11.383 -23.03796 16.01522 
1 1 1    5    5   25 o  463.271   7.3242  1423.86   42.938  1543.20   77.198  1370.40   51.668  476.953   11.944  449.589   8.4805 27.36407 14.64841 
1 1 1    5    5   26 o  591.581   10.166  2374.23   81.479  2323.53  113.655  2427.85  116.870  585.089   14.335  598.073   14.420 -12.98370 20.33261 
1 1 1    5    5   27 o  616.348   9.0767  2529.56   70.541  2450.60   84.730  2707.89  127.336  601.116   10.402  631.579   14.878 -30.46265 18.15333 
1 1 1    5    5   28 o  601.356   10.326  2452.59   84.145   0.0000   0.0000  2452.59   84.145  ?   ?   601.356   10.326      ?      ? 
1 1 1    5    5   29 o  687.522   11.564  3206.70  107.740   0.0000   0.0000  3206.70  107.740  ?   ?   687.522   11.564      ?      ? 
1 1 1    5    5   30 o  574.321   7.0522  2236.70   54.881  2277.51   78.149  2197.00   77.089  579.490   9.9517  569.152   9.9950 10.33746 14.10441 
1 1 1    5    5   31 o  969.734   11.015  6387.65  144.753  6403.36  204.848  6371.99  204.574  970.927   15.569  968.542   15.587 2.384094 22.03035 
1 1 1    5    5   34 o  288.856   6.6020  565.656   25.843  565.656   25.843   0.0000   0.0000  288.856   6.6020  ?   ?       ?      ? 
1 1 1    5    5   35 o  585.792   7.1703  2327.72   56.911  2295.28   79.641  2361.56   81.356  581.626   10.104  589.957   10.176 -8.331177 14.34060 
1 1 1    5    5   36 o  200.954   4.2703  273.541   11.624  265.885   16.161  281.746   16.731  198.043   6.0219  203.864   6.0562 -5.820908 8.540543 
1 1 1    5    5   37 o  313.574   5.8927  643.136   23.279  605.749   27.789  731.099   42.625  298.893   6.8609  328.255   9.5824 -29.36188 11.78534 
1 1 1    5    5   38 o  211.897   8.6678  304.604   24.889   0.0000   0.0000  304.604   24.889  ?   ?   211.897   8.6678      ?      ? 
1 1 1    5    5   39 o  244.474   5.4492  406.469   17.189  401.868   29.087  408.939   21.307  243.368   8.8196  245.580   6.4025 -2.212280 10.89847 
1 1 1    5    5   40 o  347.389   7.2393  818.524   34.080  818.524   34.080   0.0000   0.0000  347.389   7.2393  ?   ?       ?      ? 
1 1 1    5    5   41 o  532.832   6.7061  1925.91   48.401  1875.12   67.269  1980.44   69.695  525.557   9.4452  540.107   9.5223 -14.55011 13.41213 
1 1 1    5    5   42 f  311.725   4.9165  659.132   20.767  656.905   29.155  661.426   29.587  311.192   6.9136  312.257   6.9921 -1.065125 9.832968 
1 1 1    5    5   43 o  276.847   9.3797  520.508   35.189  520.508   35.189   0.0000   0.0000  276.847   9.3797  ?   ?       ?      ? 
1 1 1    5    5   44 o  190.803   5.4423  249.790   13.276  238.816   22.691  255.501   16.370  187.526   8.9293  194.079   6.2243 -6.553741 10.88459 
1 1 1    5    5   45 o  452.796   7.3727  1379.65   42.303  1354.45   51.189  1433.92   75.126  446.603   8.4581  458.989   12.078 -12.38608 14.74539 
1 1 1    5    5   46 o  355.984   7.4058  861.933   35.721  876.744   50.446  847.038   50.589  359.065   10.367  352.903   10.578 6.161621 14.81169 
1 1 1    5    5   47 o  433.248   8.2775  1278.22   48.596  1282.55   68.453  1273.82   69.000  434.000   11.639  432.496   11.773 1.504272 16.55503 
1 1 1    5    5   48 o  295.484   5.9627  597.635   22.519  606.774   27.704  579.839   38.660  298.978   6.8379  291.989   9.7703 6.989441 11.92545 
1 1 1    5    5   49 o  168.236   4.4284  192.138   10.092  198.100   14.270  186.171   14.275  170.852   6.1634  165.620   6.3606 5.232925 8.856872 
1 1 1    5    5   50 o  360.656   5.2988  883.561   25.896  893.742   36.642  873.401   36.604  362.736   7.4542  358.575   7.5329 4.160919 10.59760 
1 1 1    5    5   51 o  318.099   5.0112  687.207   21.600  683.745   30.334  690.769   30.765  317.290   7.0549  318.909   7.1188 -1.618713 10.02244 
1 1 1    5    5   52 o  343.381   5.1988  799.685   24.170  762.220   33.380  840.974   35.043  334.942   7.3542  351.821   7.3501 -16.87863 10.39757 
1 1 1    5    5   53 o  169.962   4.4293  196.148   10.198  203.529   14.482  188.890   14.361  173.138   6.1725  166.785   6.3542 6.352600 8.858640 
1 1 1    5    5   54 o  373.574   6.5805  927.769   31.134  889.482   37.469  1013.16   55.958  361.718   7.6440  385.431   10.714 -23.71304 13.16093 
1 1 1    5    5   55 o  249.285   5.6593  423.515   18.085  425.259   22.253  420.123   31.037  250.200   6.5632  248.371   9.2214 1.828705 11.31859 
1 1 1    5    5   56 o  246.333   9.1632  413.345   30.588  413.345   30.588   0.0000   0.0000  246.333   9.1632  ?   ?       ?      ? 
1 1 1    5    5   57 o  133.980   5.6453  121.313   9.7049  124.739   16.771  119.588   11.900  135.304   9.1467  132.657   6.6195 2.646698 11.29068 
1 1 1    5    5   58 o  190.358   4.5210  246.146   11.656  257.815   16.645  234.917   16.328  194.791   6.3057  185.925   6.4804 8.865570 9.042007 
1 1 1    5    5   59 o  150.632   4.6118  154.201   9.4125  158.080   13.395  150.418   13.229  152.506   6.4814  148.758   6.5625 3.747330 9.223657 
1 1 1    5    5   60 o  206.997   5.5677  278.990   14.634  328.005   26.551  257.605   17.538  219.342   8.9326  194.651   6.6487 24.69109 11.13534 
1 1 1    5    5   61 o  151.798   4.7847  156.724   9.8415  155.457   13.981  157.968   13.856  151.185   6.8241  152.411   6.7086 -1.225967 9.569427 
1 1 1    5    5   62 f  141.398   6.0504  140.552   10.798  149.090   13.305  124.076   18.482  148.060   6.6310  134.736   10.122 13.32379 12.10083 
1 1 1    5    5   63 o   66.826   6.7477   30.391   6.0881   34.298   8.8830   26.931   8.3606   70.877   9.2485   62.775   9.8281 8.101753 13.49544 
1 1 1    5    5   64 o  121.220   5.0619  100.276   8.2959   94.726   11.907  105.513   11.565  117.929   7.4505  124.512   6.8542 -6.583717 10.12376 
1 1 1    5    5   65 o  148.469   4.7691  150.297   9.5722  138.502   13.550  162.047   13.524  142.617   7.0110  154.321   6.4671 -11.70340 9.538209 
1 1 1    5    5   66 o  138.576   4.8550  130.605   9.1098  137.938   13.145  123.829   12.636  142.319   6.8160  134.834   6.9157 7.484726 9.710002 
1 1 1    5    5   67 o  125.205   5.0426  107.022   8.5422  101.134   12.164  112.751   11.999  121.776   7.3708  128.634   6.8835 -6.857430 10.08522 
1 1 1    5    5   68 o  172.693   4.7368  203.141   11.082  209.732   15.893  196.904   15.460  175.419   6.6856  169.966   6.7120 5.453354 9.473565 
1 1 1    5    5   69 o  168.747   4.7910  193.773   10.941  208.040   15.892  180.918   15.085  174.647   6.7148  162.846   6.8358 11.80098 9.582101 
1 1 1    5    5   70 o  126.968   5.9572  109.175   9.9222  105.402   12.453  115.733   16.419  124.167   7.4011  129.770   9.3368 -5.602341 11.91433 
1 1 1    5    5   71 o  299.034   6.3232  616.364   24.257  609.584   41.484  619.888   29.903  297.075   10.305  300.994   7.3311 -3.918732 12.64631 
1 1 1    5    5   72 o  163.130   6.8745  180.951   15.079  210.657   23.062  158.766   19.929  174.637   9.7448  151.624   9.6992 23.01382 13.74904 
1 1 1    5    5   73 o  185.289   5.7951  232.154   13.693  248.162   24.147  224.566   16.625  189.473   9.4045  181.105   6.7740 8.367584 11.59019 
1 1 1    5    5   74 o  114.777   5.3010   91.101   8.1717   77.589   11.588  104.467   11.525  106.132   8.0572  123.421   6.8908 -17.28978 10.60199 
1 1 1    5    5   75 o  155.570   5.8777  163.921   11.627  176.878   20.655  157.912   14.067  159.493   9.5567  151.646   6.8453 7.847656 11.75538 
1 1 1    5    5   76 o  156.462   5.9951  165.776   12.011  158.134   14.604  181.746   21.112  151.543   7.1114  161.380   9.6537 -9.836914 11.99023 
1 1 1    5    5   77 o  110.279   5.3621   84.105   8.0124   82.600   11.318   85.617   11.344  109.272   7.6435  111.286   7.5222 -2.013878 10.72415 
1 1 1    5    5   78 f   68.854   7.1096   33.906   6.4042   40.092   9.1648   28.004   8.9528   75.724   8.9312   61.984   11.064 13.73984 14.21927 
1 1 1    5    5   79 o   27.647   8.1508   1.3265   5.1492   4.0769   7.4436  -1.1975   7.1305   30.396   12.081   24.897   10.944 5.498960 16.30153 
1 1 1    5    5   80 o   57.791   7.8887   24.927   5.9817   17.978   8.5499   31.589   8.3718   48.694   12.791   66.888   9.2360 -18.19453 15.77737 
1 1 1    5    5   81 o  109.031   5.3961   83.177   7.9617   78.504   11.286   87.806   11.233  105.875   7.8664  112.187   7.3886 -6.312332 10.79225 
1 1 1    5    5   82 o   87.578   5.9719   54.101   7.0793   57.801   10.176   50.631   9.8553   90.539   8.2937   84.616   8.5948 5.923599 11.94382 
1 1 1    5    5   83 o   87.835   5.9833   54.708   7.1071   58.714   10.068   50.728   10.034   91.183   8.1478   84.487   8.7642 6.696457 11.96652 
1 1 1    5    5   84 o   56.938   10.568   26.257   8.2788   24.077   11.951   28.268   11.479   54.360   15.479   59.517   14.391 -5.157806 21.13503 
1 1 1    5    5   85 o   53.751   9.8951   21.741   7.0383   28.949   11.993   17.955   8.6927   59.734   14.873   47.769   13.056 11.96521 19.79029 
1 1 1    5    5   86 o   57.183   9.8093   24.588   7.2087   32.429   12.565   20.741   8.8014   63.026   14.939   51.341   12.717 11.68496 19.61865 
1 1 1    5    5   87 o   75.167   8.7136   44.112   8.1273   40.501   13.591   46.122   10.140   70.597   14.685   79.737   9.3843 -9.139519 17.42717 
1 1 1    5    5   88 o   46.352   16.703   17.755   13.411   0.0000   0.0000   17.755   13.411  ?   ?    46.352   16.703      ?      ? 
1 1 1    5    5   89 f   96.783   12.555   72.699   16.467   0.0000   0.0000   72.699   16.467  ?   ?    96.783   12.555      ?      ? 
1 1 1    5    5   90 o   49.625   10.264   16.337   9.3631  -3.6423   12.559   41.338   14.049   29.739   13.657   69.512   15.327 -39.77343 20.52840 
1 1 1    5    5   91 o   40.483   11.045   12.430   8.8676   18.343   12.546   6.5281   12.535   45.487   16.181   35.478   15.039 10.00951 22.09050 
1 1 1    5    5   92 o   30.863   9.7616  -0.4583   8.5976  -6.9367   12.061   6.2350   12.259   27.081   12.750   34.645   14.785 -7.563618 19.52318 
1 1 1    5    5   93 o   34.808   10.162   2.3245   8.9229 -12.6003   12.248   19.206   13.026   24.789   11.984   44.826   16.414 -20.03625 20.32358 
1 1 1    5    5   94 o   41.783   11.134   14.635   9.5477   2.4580   13.343   27.411   13.667   32.058   14.469   51.508   16.927 -19.45045 22.26821 
1 1 1    5    5   95 o   39.808   11.384   15.240   9.6500   10.997   13.631   19.504   13.663   36.609   15.606   43.006   16.579 -6.396824 22.76897 
1 1 1    5    6    0 o  269.201   4.4237  491.323   16.137  499.715   22.883  483.022   22.759  271.489   6.2198  266.914   6.2922 4.574921 8.847472 
1 1 1    5    6    1 o  220.317   5.1651  331.361   14.452  322.835   25.158  335.560   17.655  218.155   8.5100  222.480   5.8559 -4.325089 10.33014 
1 1 1    5    6    2 o  286.888   5.6487  562.799   20.665  544.606   35.622  572.027   25.371  283.315   9.2784  290.462   6.4456 -7.147278 11.29750 
1 1 1    5    6    3 o  194.443   5.0081  257.177   12.362  254.094   21.615  258.675   15.070  193.548   8.2409  195.339   5.6932 -1.791519 10.01623 
1 1 1    5    6    4 o  251.939   5.3790  434.679   17.276  417.888   29.746  443.227   21.223  248.191   8.8442  255.687   6.1251 -7.495605 10.75807 
1 1 1    5    6    5 o  345.862   4.9871  811.039   23.372  802.042   32.830  820.285   33.282  343.917   7.0443  347.806   7.0613 -3.888702 9.974161 
1 1 1    5    6    6 o  442.339   5.7905  1326.94   34.707  1312.57   48.695  1341.77   49.481  439.907   8.1684  444.771   8.2096 -4.864288 11.58099 
1 1 1    5    6    7 o  563.843   6.9146  2157.12   52.832  2178.45   75.013  2136.11   74.423  566.610   9.7694  561.076   9.7882 5.534485 13.82930 
1 1 1    5    6    8 o  439.656   6.7131  1312.95   34.431  1314.39   39.655  1308.56   69.404  440.295   6.6461  439.017   11.666 1.278076 13.42628 
1 1 1    5    6    9 o  607.370   8.5132  2507.65   60.545  2510.54   69.862  2498.92  121.346  608.392   8.4737  606.348   14.768 2.044006 17.02639 
1 1 1    5    6   10 o  659.747   9.0593  2876.71   68.684  2809.47   78.104  3106.15  144.270  643.571   8.9556  675.923   15.751 -32.35168 18.11852 
1 1 1    5    6   11 o  442.280   7.2059  1356.36   40.988  1427.71   51.294  1230.33   68.176  458.827   8.2496  425.732   11.817 33.09506 14.41183 
1 1 1    5    6   12 o  553.054   9.6498  2073.03   72.239  1989.34   99.304  2167.10  105.280  541.233   13.539  564.875   13.753 -23.64252 19.29956 
1 1 1    5    6   13 o  506.524   9.0518  1735.42   62.018  1873.19   90.838  1615.14   84.877  525.288   12.761  487.760   12.841 37.52808 18.10358 
1 1 1    5    6   14 o  471.799   8.5890  1510.63   54.908  1541.36   77.924  1480.32   77.382  476.570   12.066  467.028   12.227 9.542480 17.17797 
1 1 1    5    6   15 o  288.420   5.6799  566.892   20.825  572.423   25.445  555.672   36.242  290.595   6.4614  286.245   9.3431 4.350708 11.35971 
1 1 1    5    6   16 o  553.751   6.8398  2079.38   51.324  2059.74   72.110  2099.54   73.064  551.102   9.6557  556.400   9.6902 -5.297852 13.67965 
1 1 1    5    6   17 o  682.607   8.1043  3160.22   74.958  3214.02  106.995  3108.36  105.045  688.311   11.471  676.904   11.452 11.40723 16.20860 
1 1 1    5    6   18 o  785.653   9.1101  4188.46   96.992  4198.17  137.240  4178.78  137.096  786.562   12.876  784.743   12.892 1.819458 18.22026 
1 1 1    5    6   19 f  743.403   8.6778  3749.43   87.421  3762.07  123.819  3736.86  123.447  744.652   12.270  742.153   12.275 2.499451 17.35570 
1 1 1    5    6   20 o  692.363   8.1738  3251.62   76.689  3236.06  108.025  3267.42  108.889  690.695   11.541  694.031   11.578 -3.335693 16.34762 
1 1 1    5    6   21 o  582.778   7.1210  2301.29   56.211  2241.02   78.060  2366.21   81.012  574.862   10.020  590.694   10.121 -15.83264 14.24193 
1 1 1    5    6   22 o  259.717   8.8927  457.340   31.298   0.0000   0.0000  457.340   31.298  ?   ?   259.717   8.8927      ?      ? 
1 1 1    5    6   23 o  382.865   7.5705  982.583   39.046  867.390   52.145  1129.61   58.912  357.618   10.760  408.113   10.652 -50.49500 15.14092 
1 1 1    5    6   24 o  696.169   10.046  3211.19   87.954  3498.38  160.156  3087.17  105.246  717.720   16.467  674.619   11.512 43.10114 20.09192 
1 1 1    5    6   25 o  621.982   7.4978  2621.93   63.173  2699.52   90.827  2549.21   87.925  630.889   10.624  613.075   10.583 17.81390 14.99560 
1 1 1    5    6   26 o  616.202   7.4492  2571.68   62.155  2481.97   85.862  2670.44   90.091  604.932   10.474  627.472   10.595 -22.53967 14.89837 
1 1 1    5    6   27 o  931.069   10.619  5883.72  133.953  5770.60  186.930  6003.12  192.050  921.881   14.963  940.256   15.072 -18.37482 21.23850 
1 1 1    5    6   28 o  744.044   8.7312  3756.68   88.034  3747.48  124.128  3765.99  124.872  743.129   12.326  744.958   12.369 -1.828552 17.46239 
1 1 1    5    6   29 o  618.945   7.4750  2598.79   62.697  2608.38   88.659  2589.21   88.673  620.088   10.551  617.802   10.592 2.286194 14.95000 
1 1 1    5    6   32 o  417.642   5.6739  1182.09   32.101  1155.92   44.674  1210.02   46.157  412.867   7.9847  422.416   8.0633 -9.548065 11.34783 
1 1 1    5    6   33 o  196.715   4.3028  262.019   11.462  254.034   15.857  270.756   16.588  193.581   6.0449  199.849   6.1250 -6.268555 8.605573 
1 1 1    5    6   34 o  623.990   7.5459  2642.35   63.806  2666.36   90.532  2618.64   89.941  626.808   10.658  621.172   10.685 5.636475 15.09177 
1 1 1    5    6   35 o  649.764   7.7977  2865.70   68.657  2844.32   96.506  2887.60   97.696  647.314   11.002  652.214   11.054 -4.900269 15.59548 
1 1 1    5    6   36 o  680.704   9.9179  3151.32   86.431  3144.66  148.959  3154.71  106.122  679.801   16.170  681.607   11.489 -1.805603 19.83580 
1 1 1    5    6   37 o  436.567   7.1774  1290.15   39.870  1283.34   48.578  1304.22   69.791  434.941   8.2418  438.192   11.753 -3.250183 14.35487 
1 1 1    5    6   38 o  373.953   6.5386  939.255   30.990  921.840   37.500  976.763   55.034  368.649   7.5064  379.257   10.708 -10.60788 13.07715 
1 1 1    5    6   39 o  263.776   6.5403  471.867   23.378   0.0000   0.0000  471.867   23.378  ?   ?   263.776   6.5403      ?      ? 
1 1 1    5    6   40 o  304.350   6.9099  628.325   28.499   0.0000   0.0000  628.325   28.499  ?   ?   304.350   6.9099      ?      ? 
1 1 1    5    6   41 o  385.241   5.4406  1007.14   28.402  1017.65   40.160  996.621   40.173  387.255   7.6526  383.227   7.7356 4.028046 10.88129 
1 1 1    5    6   42 o  400.872   11.205  1092.66   60.872   0.0000   0.0000  1092.66   60.872  ?   ?   400.872   11.205      ?      ? 
1 1 1    5    6   43 o  215.472   6.2949  315.306   18.351  340.023   26.222  291.583   25.690  223.761   8.6476  207.182   9.1501 16.57875 12.58987 
1 1 1    5    6   44 o  168.878   5.2916  192.184   11.500  198.075   19.768  189.171   14.139  170.772   8.5420  166.983   6.2482 3.789337 10.58328 
1 1 1    5    6   45 o  236.658   6.3065  380.022   20.225  380.022   20.225   0.0000   0.0000  236.658   6.3065  ?   ?       ?      ? 
1 1 1    5    6   46 o  336.539   5.1095  768.868   23.300  764.273   32.699  773.607   33.209  335.521   7.1918  337.557   7.2598 -2.036133 10.21894 
1 1 1    5    6   47 o  141.759   4.4578  136.379   8.5615  136.238   11.975  136.527   12.245  141.686   6.2370  141.832   6.3708 -0.1457520 8.915541 
1 1 1    5    6   48 o  305.693   6.9089  634.486   28.620  634.486   28.620   0.0000   0.0000  305.693   6.9089  ?   ?       ?      ? 
1 1 1    5    6   49 o  419.625   8.1545  1196.76   46.371  1196.76   46.371   0.0000   0.0000  419.625   8.1545  ?   ?       ?      ? 
1 1 1    5    6   50 o  176.250   6.3593  210.899   15.189   0.0000   0.0000  210.899   15.189  ?   ?   176.250   6.3593      ?      ? 
1 1 1    5    6   51 o  114.615   6.6824   88.874   10.334   78.141   14.065  101.464   15.233  107.128   9.6882  122.102   9.2062 -14.97372 13.36473 
1 1 1    5    6   52 o  286.488   5.9475  556.766   21.721  553.812   26.516  562.792   37.873  285.524   6.8530  287.453   9.7224 -1.929260 11.89494 
1 1 1    5    6   53 o  255.611   4.7359  443.437   16.391  469.953   23.548  418.518   22.828  263.026   6.6066  248.197   6.7872 14.82825 9.471742 
1 1 1    5    6   54 o  431.256   7.2677  1286.96   40.477  1204.58   67.306  1333.64   50.663  419.832   11.830  442.680   8.4453 -22.84799 14.53543 
1 1 1    5    6   55 o  331.934   6.3290  750.380   26.797  750.288   32.776  750.565   46.540  332.194   7.2808  331.674   10.355 0.5200195 12.65805 
1 1 1    5    6   56 o  282.545   4.8849  542.706   18.703  546.526   26.379  538.846   26.521  283.551   6.8650  281.540   6.9514 2.010742 9.769842 
1 1 1    5    6   57 o  396.539   5.6551  1069.92   30.382  1100.87   43.405  1040.19   42.541  402.166   7.9643  390.911   8.0306 11.25439 11.31021 
1 1 1    5    6   58 o  323.787   5.1513  712.993   22.598  733.839   32.224  692.820   31.699  328.450   7.2398  319.123   7.3299 9.327271 10.30251 
1 1 1    5    6   59 o   97.524   6.6399   62.240   8.2823   57.387   9.9957   72.868   14.793   91.797   8.0353  103.250   10.573 -11.45251 13.27971 
1 1 1    5    6   60 o  196.688   6.6954  264.029   17.833  277.770   25.409  250.690   25.034  201.757   9.2936  191.619   9.6407 10.13820 13.39082 
1 1 1    5    6   61 o  197.415   5.7178  264.192   14.403  269.591   25.120  261.547   17.580  198.728   9.3278  196.103   6.6155 2.625000 11.43555 
1 1 1    5    6   62 o  159.133   6.6100  172.260   14.254  172.260   14.254   0.0000   0.0000  159.133   6.6100  ?   ?       ?      ? 
1 1 1    5    6   63 o  132.873   4.8896  120.178   8.8038  119.823   12.499  120.527   12.403  132.675   6.9519  133.071   6.8778 -0.3955231 9.779181 
1 1 1    5    6   64 o  133.313   4.9720  120.827   8.9639  132.198   12.946  110.356   12.424  139.344   6.8560  127.282   7.2028 12.06251 9.944051 
1 1 1    5    6   65 o  221.609   6.7159  334.429   20.169  334.429   20.169   0.0000   0.0000  221.609   6.7159  ?   ?       ?      ? 
1 1 1    5    6   66 o  203.471   4.7837  282.043   13.188  275.585   18.551  288.643   18.753  201.109   6.8070  205.833   6.7232 -4.723343 9.567442 
1 1 1    5    6   67 o  272.455   4.9718  506.066   18.350  526.421   26.237  486.576   25.673  277.831   6.9686  267.078   7.0934 10.75272 9.943673 
1 1 1    5    6   68 o  129.983   6.2831  118.171   10.606  125.010   13.457  106.958   17.233  135.288   7.3403  124.678   10.200 10.61027 12.56629 
1 1 1    5    6   69 o  127.639   7.3395  111.373   12.695   0.0000   0.0000  111.373   12.695  ?   ?   127.639   7.3395      ?      ? 
1 1 1    5    6   70 o   54.676   10.161   21.871   7.5005   22.556   9.5190   20.749   12.181   55.789   12.855   53.563   15.741 2.226212 20.32295 
1 1 1    5    6   71 f  122.376   6.4686  106.737   10.074  114.981   12.583   92.021   16.811  129.584   7.1655  115.168   10.772 14.41540 12.93720 
1 1 1    5    6   72 o   38.413   9.3058   9.5421   5.8819   11.666   8.4183   7.5161   8.2218   41.080   13.272   35.746   13.048 5.334366 18.61151 
1 1 1    5    6   73 o   49.165   9.0400   17.683   6.0889   19.080   8.6403   16.304   8.5820   51.060   12.571   47.269   12.995 3.791607 18.08009 
1 1 1    5    6   74 o   89.578   7.3106   55.347   8.3548   53.999   10.174   58.139   14.641   88.358   8.4970   90.797   11.899 -2.439423 14.62125 
1 1 1    5    6   75 o   47.902   9.8883   14.873   6.7468   25.010   11.554   9.6277   8.3110   57.698   14.727   38.106   13.199 19.59224 19.77658 
1 1 1    5    6   76 o   86.637   8.1224   57.841   8.4268   41.121   13.734   67.935   10.672   74.261   14.165   99.013   7.9534 -24.75204 16.24475 
1 1 1    5    6   77 o  126.067   5.1966  109.970   8.8745  108.633   12.353  111.396   12.757  125.302   7.2751  126.832   7.4225 -1.530113 10.39329 
1 1 1    5    6   78 o  127.931   5.2328  113.940   9.0108  129.712   12.809   98.488   12.679  136.921   6.9032  118.941   7.8661 17.97964 10.46565 
1 1 1    5    6   79 o   70.817   6.9150   35.777   6.5854   40.066   9.2273   31.325   9.4013   75.401   9.0305   66.232   10.475 9.169220 13.82995 
1 1 1    5    6   80 o   95.547   5.7915   63.768   7.4503   54.410   10.182   74.553   10.931   87.890   8.5487  103.203   7.8158 -15.31298 11.58304 
1 1 1    5    6   81 o   64.429   7.5019   30.430   6.3755   31.715   8.7581   28.980   9.2988   66.595   9.7048   62.263   11.442 4.331318 15.00376 
1 1 1    5    6   82 o   33.915   9.4367   6.1676   6.4642   0.7627   11.042   8.9859   7.9733   31.696   13.782   36.135   12.894 -4.439339 18.87347 
1 1 1    5    6   83 o   62.805   9.2700   32.204   7.3621   24.381   12.541   36.318   9.0942   54.505   15.958   71.104   9.4381 -16.59863 18.54002 
1 1 1    5    6   84 o   38.074   9.9210   10.077   6.6446   9.0143   10.945   10.698   8.3618   37.939   14.779   38.210   13.239 -0.2714577 19.84193 
1 1 1    5    6   85 o   71.194   10.118   40.685   9.6462   23.195   13.267   60.303   14.051   52.460   16.631   89.929   11.530 -37.46827 20.23638 
1 1 1    5    6   86 o   67.137   11.088   37.299   9.8317   35.587   13.008   39.581   15.015   65.905   14.913   68.369   16.414 -2.463905 22.17697 
1 1 1    5    6   87 o   57.071   11.300   28.191   9.1779   31.394   12.280   24.139   13.813   61.513   14.892   52.630   17.000 8.882351 22.60011 
1 1 1    5    6   88 o   27.994   9.0431  -4.9607   7.7692 -10.5618   10.621   1.4848   11.394   24.282   11.586   31.706   13.888 -7.424391 18.08624 
1 1 1    5    6   89 o   46.024   16.574   18.304   13.201   0.0000   0.0000   18.304   13.201  ?   ?    46.024   16.574      ?      ? 
1 1 1    5    6   90 o   52.127   10.983   23.113   9.3847   9.3479   12.896   38.608   13.683   37.814   15.581   66.440   15.484 -28.62580 21.96638 
1 1 1    5    6   91 o   53.588   11.585   26.867   9.6507   18.081   13.587   35.814   13.710   44.590   16.683   62.586   16.079 -17.99584 23.17076 
1 1 1    5    6   92 o   42.941   11.109   14.814   9.1858   27.492   13.591   4.1532   12.463   52.870   16.841   33.013   14.491 19.85730 22.21725 
1 1 1    5    6   93 o   39.995   10.947   12.504   9.1799   23.998   13.297   2.0365   12.689   48.556   16.702   31.435   14.156 17.12110 21.89404 
1 1 1    5    6   94 o   38.696   11.128   13.572   9.3321   8.9357   13.383   17.961   13.020   35.331   15.268   42.061   16.193 -6.729683 22.25560 
1 1 1    5    7    0 o  437.863   5.7850  1300.00   34.323  1286.69   48.165  1313.74   48.924  435.586   8.1598  440.140   8.2026 -4.553558 11.56994 
1 1 1    5    7    1 o  547.057   6.7746  2028.83   50.205  1979.80   69.894  2081.09   72.162  540.235   9.5472  553.878   9.6142 -13.64313 13.54924 
1 1 1    5    7    2 o  380.250   5.2947  980.327   27.282  975.433   38.350  985.341   38.818  379.290   7.4613  381.210   7.5142 -1.919556 10.58935 
1 1 1    5    7    3 o  397.021   5.4332  1068.77   29.230  1065.85   41.140  1071.74   41.538  396.474   7.6572  397.567   7.7101 -1.092682 10.86634 
1 1 1    5    7    4 o  476.555   7.4827  1554.08   45.957  1497.46   77.430  1584.87   57.102  469.694   12.165  483.417   8.7166 -13.72299 14.96546 
1 1 1    5    7    5 o  367.023   6.3297  919.615   29.930  893.886   50.583  933.476   37.127  362.992   10.283  371.054   7.3837 -8.062134 12.65945 
1 1 1    5    7    6 o  451.861   7.2438  1403.99   42.262  1321.07   70.460  1450.58   52.817  441.211   11.785  462.510   8.4270 -21.29843 14.48758 
1 1 1    5    7    7 o  653.087   9.5452  2918.77   80.238  2820.92  135.650  2971.44   99.515  644.390   15.534  661.783   11.097 -17.39294 19.09039 
1 1 1    5    7    8 o  714.592   8.4100  3463.39   81.419  3545.54  116.721  3385.53  113.629  722.839   11.916  706.344   11.871 16.49487 16.81996 
1 1 1    5    7    9 o  660.895   9.1621  3004.89   71.476  3048.06   83.093  2882.08  140.157  670.427   9.1460  651.363   15.878 19.06427 18.32418 
1 1 1    5    7   10 o  716.211   9.7559  3482.36   81.720  3482.66   94.214  3481.44  164.214  716.607   9.7018  715.815   16.929 0.7922363 19.51181 
1 1 1    5    7   11 o  367.127   6.0572  908.766   25.805  904.036   29.597  923.755   52.687  365.211   5.9803  369.043   10.535 -3.832001 12.11432 
1 1 1    5    7   12 o  362.693   6.0192  888.758   25.358  885.818   29.112  898.006   51.625  361.515   5.9424  363.871   10.470 -2.356049 12.03845 
1 1 1    5    7   13 o  457.892   6.9279  1412.77   36.880  1404.30   42.330  1439.48   75.134  455.158   6.8628  460.625   12.037 -5.466522 13.85571 
1 1 1    5    7   14 o  364.840   6.1156  925.776   26.172  950.365   30.427  855.827   51.317  374.456   5.9961  355.224   10.661 19.23215 12.23110 
1 1 1    5    7   15 o  154.491   5.1941  166.123   10.019  173.610   12.171  150.390   17.644  160.049   5.6117  148.933   8.7420 11.11555 10.38815 
1 1 1    5    7   16 o  536.947   13.481  1956.51   98.094   0.0000   0.0000  1956.51   98.094  ?   ?   536.947   13.481      ?      ? 
1 1 1    5    7   17 o  732.423   10.544  3674.20   99.405  3749.14  123.364  3535.45  167.855  743.389   12.246  721.456   17.169 21.93317 21.08860 
1 1 1    5    7   18 o  689.057   9.9461  3111.19   85.492  2951.06  101.361  3505.87  159.134  659.598   11.340  718.516   16.343 -58.91846 19.89227 
1 1 1    5    7   19 o  692.765   8.2271  3247.49   77.130  3101.54  105.775  3413.22  112.713  676.190   11.543  709.340   11.726 -33.14978 16.45416 
1 1 1    5    7   20 o  957.881   13.323  6117.67  160.723  6553.92  290.790  5925.78  192.859  981.504   21.863  934.259   15.233 47.24432 26.64634 
1 1 1    5    7   21 o  819.731   11.664  4635.58  123.782  4311.21  204.460  4823.25  155.522  796.430   18.944  843.033   13.613 -46.60278 23.32826 
1 1 1    5    7   22 o  465.182   7.3838  1447.29   43.647  1525.79   77.371  1410.64   52.861  474.232   12.039  456.132   8.5519 18.09952 14.76761 
1 1 1    5    7   23 o  502.687   6.3941  1711.95   43.537  1662.47   60.463  1765.23   62.742  495.152   9.0108  510.223   9.0743 -15.07092 12.78821 
1 1 1    5    7   24 o  828.028   9.5683  4653.78  107.365  4646.99  151.616  4660.62  152.058  827.423   13.522  828.633   13.541 -1.209839 19.13659 
1 1 1    5    7   25 o  791.523   13.053  4252.34  140.005   0.0000   0.0000  4252.34  140.005  ?   ?   791.523   13.053      ?      ? 
1 1 1    5    7   26 o  497.318   6.3495  1677.24   42.791  1687.70   60.560  1666.80   60.472  498.868   8.9582  495.767   9.0010 3.100677 12.69910 
1 1 1    5    7   27 o  347.485   5.1063  818.653   24.044  822.924   33.871  814.315   34.136  348.400   7.1741  346.570   7.2684 1.829895 10.21260 
1 1 1    5    7   28 o  364.775   7.4512  902.174   36.833   0.0000   0.0000  902.174   36.833  ?   ?   364.775   7.4512      ?      ? 
1 1 1    5    7   29 o  411.171   5.6292  1146.37   31.364  1141.26   44.101  1151.60   44.614  410.244   7.9327  412.097   7.9888 -1.853577 11.25830 
1 1 1    5    7   30 f  258.319   4.5469  452.336   15.914  450.052   22.265  454.720   22.753  257.654   6.3769  258.984   6.4832 -1.330353 9.093767 
1 1 1    5    7   31 o  633.752   7.6473  2725.81   65.676  2745.97   93.032  2705.77   92.728  636.090   10.793  631.413   10.837 4.676880 15.29465 
1 1 1    5    7   32 o  415.783   6.9388  1177.73   37.066  1158.08   63.197  1188.03   45.763  413.034   11.291  418.532   8.0688 -5.498444 13.87763 
1 1 1    5    7   33 o  701.289   10.179  3341.10   91.291  3349.78  157.846  3336.73  111.906  701.595   16.602  700.984   11.780 0.6115112 20.35706 
1 1 1    5    7   35 o  445.003   8.4397  1343.54   50.895   0.0000   0.0000  1343.54   50.895  ?   ?   445.003   8.4397      ?      ? 
1 1 1    5    7   36 o  328.358   6.1316  720.644   25.438  702.022   30.645  761.911   45.618  321.724   7.0289  334.992   10.049 -13.26846 12.26318 
1 1 1    5    7   37 o  300.599   5.9154  606.399   22.506  594.576   27.193  632.104   40.095  296.079   6.7775  305.119   9.6971 -9.039551 11.83081 
1 1 1    5    7   39 o  426.727   11.646  1238.19   67.347   0.0000   0.0000  1238.19   67.347  ?   ?   426.727   11.646      ?      ? 
1 1 1    5    7   40 o  598.912   14.746  2445.39  119.683   0.0000   0.0000  2445.39  119.683  ?   ?   598.912   14.746      ?      ? 
1 1 1    5    7   41 o  158.061   4.4544  169.622   9.5331  174.277   13.337  164.760   13.631  160.285   6.1404  155.837   6.4547 4.447647 8.908842 
1 1 1    5    7   42 o  529.929   6.7217  1908.43   48.269  1903.50   67.959  1913.45   68.569  529.244   9.4757  530.615   9.5360 -1.370728 13.44335 
1 1 1    5    7   43 o  389.226   6.7165  1012.18   33.286  1080.87   58.931  979.996   40.337  398.558   10.911  379.893   7.8354 18.66489 13.43303 
1 1 1    5    7   44 o  309.435   6.0985  663.484   24.321  607.033   40.368  695.652   30.473  298.750   9.9711  320.119   7.0245 -21.36874 12.19700 
1 1 1    5    7   45 o  264.216   4.6693  473.823   16.717  472.043   23.462  475.659   23.824  263.715   6.5653  264.718   6.6414 -1.002777 9.338644 
1 1 1    5    7   46 o  230.724   6.3737  361.326   19.928  361.326   19.928   0.0000   0.0000  230.724   6.3737  ?   ?       ?      ? 
1 1 1    5    7   48 o  273.737   4.7721  508.745   17.697  505.052   24.703  512.638   25.366  272.722   6.6841  274.751   6.8129 -2.028961 9.544282 
1 1 1    5    7   49 f  408.597   8.1196  1135.05   44.959   0.0000   0.0000  1135.05   44.959  ?   ?   408.597   8.1196      ?      ? 
1 1 1    5    7   50 o  183.148   4.4936  227.844   11.148  235.549   15.765  220.138   15.766  186.253   6.2461  180.044   6.4619 6.209305 8.987202 
1 1 1    5    7   51 o  134.111   5.5542  122.740   9.6408  120.795   16.182  123.810   12.004  133.213   8.9638  135.010   6.5611 -1.796417 11.10842 
1 1 1    5    7   52 f  158.005   4.5636  169.529   9.7681  175.884   13.942  163.402   13.690  160.916   6.3937  155.094   6.5135 5.822311 9.127164 
1 1 1    5    7   53 o  293.819   4.9095  586.197   19.532  620.469   28.053  553.951   27.211  302.158   6.8511  285.479   7.0338 16.67853 9.818940 
1 1 1    5    7   54 f  243.518   4.7144  403.013   15.557  405.587   21.977  400.429   22.026  244.300   6.6382  242.736   6.6961 1.564758 9.428884 
1 1 1    5    7   55 o  292.124   7.1006  579.845   27.951  672.276   40.889  498.770   38.295  313.971   9.6102  270.277   10.456 43.69449 14.20127 
1 1 1    5    7   56 o  187.686   5.6813  239.868   13.654  239.974   16.767  239.660   23.525  187.893   6.5852  187.479   9.2597 0.4148254 11.36250 
1 1 1    5    7   57 o  250.257   5.8108  422.876   18.527  415.910   22.544  437.366   32.517  247.324   6.7265  253.190   9.4771 -5.865738 11.62156 
1 1 1    5    7   58 o  214.196   4.7002  311.923   13.639  322.400   19.419  301.722   19.161  217.753   6.5809  210.640   6.7127 7.113419 9.400425 
1 1 1    5    7   59 o  167.202   4.7616  189.854   10.726  163.191   14.825  219.150   15.540  154.868   7.0638  179.536   6.3871 -24.66742 9.523246 
1 1 1    5    7   60 o  203.766   5.8327  286.586   15.132  272.349   26.021  293.861   18.600  199.676   9.6164  207.856   6.6035 -8.179871 11.66542 
1 1 1    5    7   61 o  204.885   5.7134  282.782   14.960  296.254   26.173  276.246   18.231  208.271   9.2733  201.500   6.6766 6.771378 11.42681 
1 1 1    5    7   62 f   71.778   6.7245   35.197   6.4824   41.782   9.3946   29.214   8.9561   78.224   8.8625   65.333   10.116 12.89082 13.44899 
1 1 1    5    7   63 o  206.339   6.6793  289.847   18.676  289.847   18.676   0.0000   0.0000  206.339   6.6793  ?   ?       ?      ? 
1 1 1    5    7   64 o  197.240   5.7710  265.158   14.637  264.158   18.037  267.085   25.047  196.932   6.7586  197.547   9.3562 -0.6151581 11.54196 
1 1 1    5    7   65 o  127.339   6.3390  110.720   10.350  111.796   17.822  110.172   12.713  127.600   10.307  127.079   7.3823 0.5204926 12.67793 
1 1 1    5    7   66 o  123.955   5.1990  104.919   8.7277  104.013   12.534  105.771   12.160  123.417   7.4940  124.492   7.2082 -1.074654 10.39800 
1 1 1    5    7   67 o  208.130   5.8616  299.176   15.607  288.691   26.680  304.629   19.242  204.959   9.6058  211.300   6.7201 -6.341202 11.72317 
1 1 1    5    7   68 o   61.836   8.1032   28.413   6.4524   15.849   9.2652   40.245   8.9912   47.095   13.696   76.577   8.6643 -29.48220 16.20644 
1 1 1    5    7   69 o  109.020   5.4626   81.451   8.0697   81.161   11.470   81.735   11.355  108.819   7.7781  109.220   7.6722 -0.4010544 10.92525 
1 1 1    5    7   70 o  172.241   4.8794  203.029   11.386  209.488   16.194  196.713   16.013  174.968   6.8298  169.514   6.9706 5.453903 9.758884 
1 1 1    5    7   71 o  120.243   6.4076   98.818   9.8375   96.762   11.992  103.048   17.201  118.722   7.4541  121.763   10.424 -3.040192 12.81526 
1 1 1    5    7   72 o   47.170   10.152   13.285   6.9304   7.8467   8.3596   25.238   12.393   36.168   13.164   58.173   15.458 -22.00484 20.30333 
1 1 1    5    7   73 o  101.028   5.6291   70.459   7.7021   70.595   10.718   70.313   11.076  101.162   7.8180  100.894   8.1010 0.2680817 11.25823 
1 1 1    5    7   74 o   71.990   6.7428   36.144   6.5752   34.738   9.1751   37.627   9.4275   70.538   9.5985   73.441   9.4727 -2.903053 13.48566 
1 1 1    5    7   75 o   99.765   5.7344   69.228   7.6407   54.948   10.591   84.729   11.034   88.799   8.8012  110.731   7.3533 -21.93231 11.46875 
1 1 1    5    7   76 o   70.928   8.7872   38.530   7.6885   31.092   12.780   42.750   9.6251   63.730   15.040   78.125   9.0915 -14.39483 17.57436 
1 1 1    5    7   77 o   44.254   9.1881   14.590   5.8860   13.174   8.2294   16.074   8.4221   42.263   13.054   46.245   12.933 -3.982044 18.37614 
1 1 1    5    7   78 o   47.365   9.0354   16.981   5.9385   15.793   8.2893   18.234   8.5118   45.699   12.849   49.031   12.707 -3.332829 18.07072 
1 1 1    5    7   79 o   74.567   6.6526   39.455   6.6996   35.296   9.3066   43.929   9.6521   70.360   9.7607   78.773   9.0420 -8.412552 13.30518 
1 1 1    5    7   80 f   61.306   9.2919   29.700   7.3409   24.396   12.223   32.692   9.1812   55.144   15.637   67.468   10.042 -12.32328 18.58373 
1 1 1    5    7   81 o   37.262   9.7269   9.2817   6.6606   3.7975   11.198   12.284   8.2855   34.062   14.314   40.462   13.174 -6.399662 19.45377 
1 1 1    5    7   82 o   69.153   8.6405   34.878   7.5499   40.454   13.033   32.062   9.2621   71.866   13.886   66.440   10.287 5.425888 17.28108 
1 1 1    5    7   83 o   28.902   8.8028   1.1392   6.2332  -3.3857   10.529   3.5803   7.7339   28.149   12.765   29.655   12.125 -1.505064 17.60559 
1 1 1    5    7   84 f   63.719   10.846   32.824   9.2661   26.669   12.341   40.779   14.030   56.642   15.587   70.797   15.085 -14.15510 21.69148 
1 1 1    5    7   85 o   66.139   14.784   35.746   12.917   35.746   12.917   0.0000   0.0000   66.139   14.784  ?   ?       ?      ? 
1 1 1    5    7   86 o   90.257   8.9918   62.831   10.906   63.152   14.591   62.425   16.415   91.280   11.796   89.233   13.574 2.047752 17.98366 
1 1 1    5    7   87 o   30.978   9.4942  -0.5170   7.9675   8.0679   10.765 -10.9163   11.848   36.166   14.478   25.790   12.286 10.37658 18.98841 
1 1 1    5    7   88 o   57.421   11.475   28.625   9.4000   22.274   12.492   36.915   14.273   50.181   16.162   64.662   16.295 -14.48074 22.95052 
1 1 1    5    7   89 o   60.889   17.793   35.309   15.604   0.0000   0.0000   35.309   15.604  ?   ?    60.889   17.793      ?      ? 
1 1 1    5    7   90 o   35.494   10.727   5.9937   9.3452   11.436   13.204   0.5317   13.228   39.018   15.885   31.970   14.420 7.048498 21.45381 
1 1 1    5    7   91 o   45.931   11.809   20.259   9.6075   24.007   13.662   16.593   13.514   49.296   16.931   42.566   16.466 6.730347 23.61816 
1 1 1    5    7   92 o   52.694   11.156   26.299   10.113   8.8250   14.040   45.144   14.581   36.266   15.655   69.122   15.898 -32.85553 22.31152 
1 1 1    5    7   93 o   40.769   11.425   16.134   9.4916   20.743   13.703   11.883   13.160   44.265   16.715   37.273   15.581 6.992863 22.85060 
1 1 1    5    8    0 o  498.649   6.3554  1685.68   42.941  1665.74   60.168  1706.38   61.304  495.646   8.9580  501.653   9.0178 -6.006927 12.71089 
1 1 1    5    8    1 o  547.518   6.8045  2031.37   50.466  1979.95   70.171  2086.47   72.633  540.348   9.5830  554.688   9.6628 -14.34015 13.60897 
1 1 1    5    8    2 o  395.572   5.4808  1056.48   29.320  988.227   39.976  1135.95   43.133  381.801   7.7264  409.342   7.7757 -27.54160 10.96165 
1 1 1    5    8    3 o  418.051   6.9568  1177.28   36.840  1163.25   44.624  1207.31   65.282  414.227   7.9496  421.875   11.419 -7.647430 13.91366 
1 1 1    5    8    4 o  631.405   9.3538  2705.86   75.238  2706.74   91.900  2704.07  131.025  631.726   10.735  631.085   15.321 0.6406250 18.70754 
1 1 1    5    8    5 o  619.474   9.1959  2574.52   72.003  2523.99   86.895  2685.23  128.624  610.042   10.511  628.906   15.092 -18.86340 18.39185 
1 1 1    5    8    6 o  471.171   7.5252  1498.94   44.985  1486.67   54.619  1524.82   79.317  468.266   8.6074  474.077   12.346 -5.810730 15.05045 
1 1 1    5    8    7 f  516.487   8.0382  1814.37   52.946  1824.09   64.819  1794.89   91.776  518.668   9.2222  514.306   13.168 4.361694 16.07633 
1 1 1    5    8    8 o  719.151   10.403  3510.71   95.373  3510.79  116.562  3510.53  165.892  719.388   11.957  718.914   17.028 0.4736938 20.80667 
1 1 1    5    8    9 o  601.875   9.0284  2475.98   69.548  2514.15   85.677  2402.25  119.088  608.866   10.384  594.885   14.772 13.98090 18.05687 
1 1 1    5    8   10 f  501.913   7.8956  1718.11   50.568  1737.11   62.035  1680.49   87.300  506.161   9.0440  497.664   12.945 8.496216 15.79126 
1 1 1    5    8   11 o  488.085   8.8426  1615.21   58.487  1615.21   58.487   0.0000   0.0000  488.085   8.8426  ?   ?       ?      ? 
1 1 1    5    8   12 o  516.925   9.2148  1811.82   64.550  1811.82   64.550   0.0000   0.0000  516.925   9.2148  ?   ?       ?      ? 
1 1 1    5    8   13 o  528.972   9.3775  1897.31   67.220  1897.31   67.220   0.0000   0.0000  528.972   9.3775  ?   ?       ?      ? 
1 1 1    5    8   14 o  564.070   8.5887  2171.39   61.943  2197.99   76.167  2119.43  106.448  569.321   9.8725  558.818   14.057 10.50366 17.17732 
1 1 1    5    8   15 o   89.599   6.4626   57.643   6.9590   62.100   8.3208   47.271   12.694   95.718   6.4149   83.481   11.221 12.23705 12.92526 
1 1 1    5    8   16 o  544.004   8.3482  2002.42   57.756  1992.60   70.337  2022.73  101.192  542.076   9.5751  545.933   13.678 -3.856873 16.69647 
1 1 1    5    8   17 o  526.913   8.1673  1892.77   54.957  1911.76   67.454  1855.27   94.779  530.971   9.3746  522.856   13.377 8.114685 16.33453 
1 1 1    5    8   18 o  552.526   7.9977  2095.33   52.002  2120.82   60.322  2021.60  102.613  559.306   7.9587  545.745   13.875 13.56061 15.99539 
1 1 1    5    8   19 o  794.620   11.317  4274.91  114.440  4248.91  139.424  4328.60  200.348  791.255   13.003  797.985   18.527 -6.730469 22.63469 
1 1 1    5    8   21 f  370.413   5.2945  929.437   26.565  901.841   36.942  958.989   38.229  364.724   7.4744  376.102   7.5008 -11.37769 10.58907 
1 1 1    5    8   22 o  804.513   9.3655  4391.43  102.075  4297.53  142.284  4491.01  146.521  795.661   13.196  813.364   13.293 -17.70245 18.73096 
1 1 1    5    8   23 o  747.319   8.7736  3790.24   88.847  3832.54  126.471  3749.02  124.842  751.434   12.420  743.205   12.396 8.229675 17.54722 
1 1 1    5    8   24 o  299.938   4.8091  609.849   19.546  606.399   27.456  613.394   27.832  299.079   6.7743  300.797   6.8278 -1.718628 9.618203 
1 1 1    5    8   25 o  692.478   11.651  3254.59  109.330   0.0000   0.0000  3254.59  109.330  ?   ?   692.478   11.651      ?      ? 
1 1 1    5    8   26 o  577.115   10.106  2259.75   79.033   0.0000   0.0000  2259.75   79.033  ?   ?   577.115   10.106      ?      ? 
1 1 1    5    8   27 o  662.601   7.9344  2979.90   71.243  2973.78  100.479  2986.08  101.030  661.920   11.202  663.283   11.240 -1.363647 15.86877 
1 1 1    5    8   28 o  344.114   6.2722  803.620   27.668  802.032   47.571  804.432   34.012  343.794   10.211  344.433   7.2869 -0.6387329 12.54441 
1 1 1    5    8   29 o  575.683   8.6914  2250.97   64.041  2249.62  110.479  2251.66   78.591  575.338   14.170  576.028   10.068 -0.6900635 17.38274 
1 1 1    5    8   30 o  695.308   8.2526  3282.87   77.759  3298.21  110.098  3267.59  109.838  696.931   11.657  693.686   11.684 3.245789 16.50524 
1 1 1    5    8   31 o  286.772   6.6803  557.649   25.960  557.649   25.960   0.0000   0.0000  286.772   6.6803  ?   ?       ?      ? 
1 1 1    5    8   32 o  661.803   11.244  2974.59  100.842   0.0000   0.0000  2974.59  100.842  ?   ?   661.803   11.244      ?      ? 
1 1 1    5    8   33 o  497.928   6.4093  1681.91   43.236  1649.57   60.307  1716.10   62.019  493.009   9.0267  502.846   9.1014 -9.837128 12.81859 
1 1 1    5    8   34 o  334.067   5.0687  757.016   22.942  777.728   32.556  736.584   32.334  338.610   7.0949  329.524   7.2408 9.085785 10.13741 
1 1 1    5    8   35 o  231.578   9.1258  364.080   28.639   0.0000   0.0000  364.080   28.639  ?   ?   231.578   9.1258      ?      ? 
1 1 1    5    8   36 o  184.542   6.0865  230.970   15.221  230.970   15.221   0.0000   0.0000  184.542   6.0865  ?   ?       ?      ? 
1 1 1    5    8   37 o  291.787   5.8611  572.945   21.715  563.831   26.337  592.293   38.373  288.288   6.7416  295.286   9.5896 -6.997833 11.72218 
1 1 1    5    8   38 o  286.823   6.8399  558.193   26.586   0.0000   0.0000  558.193   26.586  ?   ?   286.823   6.8399      ?      ? 
1 1 1    5    8   39 o  297.934   4.8626  602.344   19.628  602.072   27.489  602.627   28.037  297.869   6.8100  297.998   6.9428 -0.1284180 9.725151 
1 1 1    5    8   40 o  483.791   6.3210  1590.22   41.439  1589.94   58.374  1590.52   58.836  483.753   8.9046  483.830   8.9736 -0.7769775E-01 12.64194 
1 1 1    5    8   42 o  482.690   7.7104  1563.67   47.319  1650.25   83.781  1523.11   57.341  491.997   12.566  473.383   8.9386 18.61432 15.42088 
1 1 1    5    8   43 f  240.785   5.7876  409.183   17.869  341.324   29.104  450.239   22.638  224.017   9.5872  257.553   6.4863 -33.53606 11.57527 
1 1 1    5    8   44 o  172.949   4.4381  202.944   10.399  199.686   14.514  206.381   14.907  171.524   6.2443  174.373   6.3084 -2.848938 8.876205 
1 1 1    5    8   45 o  388.684   7.8144  1026.54   41.160  1026.54   41.160   0.0000   0.0000  388.684   7.8144  ?   ?       ?      ? 
1 1 1    5    8   46 o  235.024   4.6046  373.660   14.634  343.256   20.062  408.235   21.395  224.838   6.5845  245.209   6.4385 -20.37085 9.209235 
1 1 1    5    8   47 o  277.844   4.7949  522.746   18.026  489.588   24.747  560.228   26.311  268.483   6.8018  287.204   6.7602 -18.72079 9.589844 
1 1 1    5    8   48 o  250.205   5.6780  426.618   18.297  422.610   31.089  428.742   22.631  249.165   9.2075  251.244   6.6470 -2.079422 11.35606 
1 1 1    5    8   49 o  171.770   5.4893  202.091   12.189  195.598   20.421  205.684   15.192  169.518   8.8896  174.022   6.4423 -4.503693 10.97856 
1 1 1    5    8   50 o  270.189   4.7817  495.638   17.501  480.405   24.366  511.874   25.154  265.904   6.7619  274.475   6.7629 -8.570923 9.563482 
1 1 1    5    8   51 o  137.368   4.6893  127.945   8.7139  117.717   12.048  139.163   12.618  131.617   6.7551  143.120   6.5059 -11.50308 9.378609 
1 1 1    5    8   52 o  286.759   4.9030  558.290   19.041  538.187   26.386  580.135   27.505  281.381   6.9200  292.137   6.9477 -10.75635 9.805938 
1 1 1    5    8   53 o  268.504   4.8244  489.491   17.543  468.003   24.352  512.672   25.293  262.382   6.8489  274.625   6.7964 -12.24319 9.648794 
1 1 1    5    8   54 o   99.959   7.4259   67.975   10.059   67.975   10.059   0.0000   0.0000   99.959   7.4259  ?   ?       ?      ? 
1 1 1    5    8   55 o  215.285   6.5013  315.054   18.967  315.054   18.967   0.0000   0.0000  215.285   6.5013  ?   ?       ?      ? 
1 1 1    5    8   56 o  188.577   4.6612  241.741   11.905  231.058   16.705  252.766   16.971  184.335   6.6876  192.820   6.4948 -8.484238 9.322367 
1 1 1    5    8   57 o  144.286   4.9120  141.624   9.6041  140.299   13.558  142.960   13.606  143.606   6.9671  144.965   6.9261 -1.358765 9.824019 
1 1 1    5    8   58 o  184.505   4.7080  231.475   11.768  223.314   16.495  239.934   16.793  181.188   6.7181  187.823   6.5976 -6.634689 9.415975 
1 1 1    5    8   59 o  142.961   5.7888  132.136   10.765  165.274   18.666  115.621   13.178  155.623   8.8510  130.298   7.4631 25.32518 11.57751 
1 1 1    5    8   60 o  196.506   10.104  264.231   26.906  264.231   26.906   0.0000   0.0000  196.506   10.104  ?   ?       ?      ? 
1 1 1    5    8   61 o  160.897   6.9541  176.423   15.093  201.884   22.068  154.048   20.687  171.814   9.4781  149.979   10.179 21.83574 13.90817 
1 1 1    5    8   62 o  183.962   6.8397  230.504   17.051  230.504   17.051   0.0000   0.0000  183.962   6.8397  ?   ?       ?      ? 
1 1 1    5    8   63 o  105.199   5.5977   75.548   7.9140   89.000   11.441   63.205   10.959  114.229   7.3908   96.169   8.4092 18.05993 11.19546 
1 1 1    5    8   64 o  136.734   6.0265  124.622   10.592  138.224   18.534  118.025   12.907  141.949   9.6349  131.520   7.2417 10.42896 12.05301 
1 1 1    5    8   65 o  166.410   5.9101  191.705   12.541  183.109   21.519  196.126   15.433  163.251   9.7269  169.568   6.7160 -6.316971 11.82019 
1 1 1    5    8   66 o  108.624   5.4664   80.624   8.0061   92.101   11.576   70.101   11.084  116.074   7.3595  101.174   8.0846 14.89944 10.93270 
1 1 1    5    8   67 o  104.676   5.5114   75.065   7.8168   73.424   11.034   76.717   11.075  103.517   7.8658  105.835   7.7222 -2.317314 11.02285 
1 1 1    5    8   68 o  111.360   5.4311   85.006   8.1913   81.149   11.488   88.995   11.683  108.771   7.7940  113.948   7.5657 -5.176987 10.86214 
1 1 1    5    8   69 o   48.688   8.8957   16.863   6.1495   10.225   8.4360   24.389   8.9830   39.260   13.307   58.115   11.809 -18.85515 17.79142 
1 1 1    5    8   70 o   55.157   10.133   21.056   7.2222   18.413   8.6891   26.962   12.990   50.173   12.753   60.141   15.751 -9.968552 20.26635 
1 1 1    5    8   71 o  102.599   6.6931   71.924   8.8125   69.510   10.770   76.814   15.329  100.412   7.9150  104.785   10.795 -4.373360 13.38617 
1 1 1    5    8   72 o   97.348   5.8312   65.868   7.6165   76.980   10.841   55.037   10.703  105.652   7.5717   89.044   8.8702 16.60806 11.66237 
1 1 1    5    8   73 o   97.994   5.7492   66.545   7.6342   65.896   10.733   67.210   10.861   97.512   8.1222   98.475   8.1390 -0.9626465 11.49837 
1 1 1    5    8   74 o   35.774   8.6451   6.6180   5.7528  -1.5661   8.0466   15.175   8.2279   26.301   11.592   45.247   12.829 -18.94602 17.29020 
1 1 1    5    8   75 o   53.217   8.7121   21.215   6.1841   24.310   8.7260   18.093   8.7655   57.375   11.621   49.060   12.983 8.315788 17.42426 
1 1 1    5    8   76 o   78.440   8.7044   48.292   8.1506   36.217   13.748   54.837   10.121   68.384   15.226   88.495   8.4398 -20.11100 17.40890 
1 1 1    5    8   77 o   85.883   6.2741   52.054   7.2712   46.267   10.186   58.065   10.383   80.847   9.2977   90.919   8.4269 -10.07130 12.54827 
1 1 1    5    8   78 o   76.293   8.7374   44.385   8.1113   40.109   14.027   46.533   9.9421   71.569   14.945   81.018   9.0555 -9.449005 17.47484 
1 1 1    5    8   79 o   56.917   9.6186   26.814   7.4836   17.125   12.594   32.102   9.3044   47.122   16.252   66.712   10.292 -19.58975 19.23717 
1 1 1    5    8   80 o   76.036   8.3501   40.293   8.1500   56.298   13.803   31.727   10.098   87.367   11.659   64.704   11.957 22.66255 16.70011 
1 1 1    5    8   81 o   49.762   8.6386   20.654   7.2480   0.0765   11.817   33.066   9.1770   31.974   14.071   67.550   10.025 -35.57626 17.27717 
1 1 1    5    8   82 o   39.019   10.217   8.4198   8.1445   18.691   11.170  -3.2388   11.901   48.058   15.263   29.981   13.585 18.07757 20.43313 
1 1 1    5    8   83 o   75.091   10.216   44.978   9.9969   41.678   13.587   48.873   14.761   72.055   14.418   78.127   14.476 -6.072685 20.43105 
1 1 1    5    8   84 o   70.543   10.848   40.494   10.057   33.652   13.414   49.275   15.197   63.336   15.706   77.751   14.966 -14.41491 21.69504 
1 1 1    5    8   85 o   32.969   14.183   3.0430   11.444   3.0430   11.444   0.0000   0.0000   32.969   14.183  ?   ?       ?      ? 
1 1 1    5    8   86 o   70.314   11.001   41.830   10.218   36.433   14.040   47.908   14.898   64.870   16.057   75.759   15.042 -10.88921 22.00214 
1 1 1    5    8   87 o   52.845   11.098   22.848   9.6464   8.2771   13.025   40.547   14.355   37.427   15.561   68.263   15.827 -30.83582 22.19510 
1 1 1    5    8   88 o   38.298   11.089   10.072   9.1384   10.234   12.286   9.8704   13.673   38.102   15.391   38.494   15.969 -0.3921204 22.17837 
1 1 1    5    8   89 o   52.502   17.412   27.013   14.449   0.0000   0.0000   27.013   14.449  ?   ?    52.502   17.412      ?      ? 
1 1 1    5    8   90 o   29.599   13.693  -2.7281   12.959   0.0000   0.0000  -2.7281   12.959  ?   ?    29.599   13.693      ?      ? 
1 1 1    5    8   91 o   30.836   9.8398   0.8918   8.8667  -4.2441   12.624   5.8922   12.456   28.177   13.195   33.495   14.601 -5.317982 19.67956 
1 1 1    5    8   92 o   50.208   12.028   27.312   9.7584   29.480   14.029   25.280   13.583   52.062   17.151   48.355   16.867 3.706570 24.05549 
1 1 1    5    9    0 o  556.632   6.9280  2098.56   52.224  2032.19   72.270  2171.10   75.552  547.434   9.7418  565.830   9.8532 -18.39630 13.85602 
1 1 1    5    9    1 o  945.919   13.217  6130.18  160.757  6242.35  199.187  5920.62  272.256  958.887   15.329  932.951   21.535 25.93634 26.43315 
1 1 1    5    9    2 o  769.672   11.006  4041.02  108.566  4081.18  133.745  3963.42  185.894  775.567   12.725  763.777   17.960 11.78992 22.01171 
1 1 1    5    9    3 o  494.464   7.7377  1645.27   48.638  1621.28   59.073  1695.75   85.699  488.998   8.9146  499.930   12.650 -10.93262 15.47541 
1 1 1    5    9    4 o  913.688   12.771  5576.66  147.051  5419.58  176.673  5930.89  265.305  893.538   14.591  933.839   20.965 -40.30115 25.54232 
1 1 1    5    9    5 o  962.046   13.386  6230.24  163.227  6123.41  197.604  6459.71  289.599  949.691   15.354  974.401   21.932 -24.70935 26.77246 
1 1 1    5    9    6 o  488.086   6.3048  1615.31   41.700  1620.52   58.760  1610.01   59.188  488.882   8.8694  487.290   8.9632 1.591370 12.60969 
1 1 1    5    9    7 o  455.249   6.0126  1405.08   37.090  1429.39   52.649  1381.12   52.260  459.160   8.4614  451.337   8.5445 7.822784 12.02513 
1 1 1    5    9    8 o  530.831   6.6858  1910.79   48.093  1916.03   67.862  1905.50   68.167  531.564   9.4208  530.098   9.4893 1.466553 13.37154 
1 1 1    5    9    9 o  450.820   5.9843  1375.33   36.521  1320.42   50.266  1436.71   53.152  441.310   8.4053  460.329   8.5206 -19.01981 11.96865 
1 1 1    5    9   10 o  224.435   5.5742  343.257   15.659  346.148   18.871  336.864   28.062  225.985   6.1620  222.885   9.2908 3.099869 11.14847 
1 1 1    5    9   11 o  518.524   7.6415  1817.05   46.069  1810.78   52.913  1836.70   93.657  516.823   7.5551  520.225   13.285 -3.401733 15.28307 
1 1 1    5    9   12 o  459.739   7.0690  1441.24   37.910  1448.83   43.705  1418.15   76.184  462.310   6.9761  457.168   12.297 5.142609 14.13807 
1 1 1    5    9   13 o  348.139   6.0232  824.086   24.359  826.261   28.008  817.331   49.353  349.147   5.9197  347.130   10.491 2.017426 12.04631 
1 1 1    5    9   14 o  526.798   7.7440  1886.47   47.668  1890.28   54.956  1874.93   95.789  528.031   7.6802  525.565   13.450 2.465759 15.48794 
1 1 1    5    9   15 o  721.214   9.8674  3535.66   83.280  3539.88   96.068  3522.92  167.057  722.443   9.8128  719.984   17.122 2.458252 19.73471 
1 1 1    5    9   16 o  679.512   9.3788  3128.67   74.434  3123.09   85.717  3145.76  150.090  678.604   9.3211  680.420   16.278 -1.816040 18.75756 
1 1 1    5    9   17 o  306.464   5.7433  650.506   20.563  664.443   23.824  609.802   40.715  313.096   5.6151  299.832   10.021 13.26358 11.48656 
1 1 1    5    9   18 o  407.690   6.5470  1130.07   31.151  1132.77   35.896  1121.83   62.693  408.781   6.4800  406.599   11.378 2.182770 13.09402 
1 1 1    5    9   19 o  452.255   6.9609  1383.22   36.675  1379.19   42.168  1395.75   74.309  451.037   6.8991  453.472   12.092 -2.435059 13.92189 
1 1 1    5    9   20 o  394.627   6.4479  1056.51   29.688  1056.74   34.187  1055.79   59.873  394.818   6.3898  394.435   11.201 0.3836670 12.89579 
1 1 1    5    9   21 o  546.958   7.9449  2034.74   50.872  2039.08   58.707  2021.63  101.925  548.359   7.9002  545.557   13.787 2.802612 15.88981 
1 1 1    5    9   22 o  282.700   5.9033  548.341   21.232  560.960   26.055  523.395   36.632  287.646   6.6841  277.754   9.7323 9.891876 11.80658 
1 1 1    5    9   23 o  352.343   5.2026  841.687   24.839  831.521   34.877  852.151   35.384  350.185   7.3496  354.502   7.3657 -4.316742 10.40523 
1 1 1    5    9   24 o  154.920   5.5175  165.664   10.878  154.102   18.623  171.651   13.402  150.719   9.1182  159.121   6.2155 -8.401535 11.03508 
1 1 1    5    9   25 o  387.632   6.7103  1021.22   33.353  1014.16   57.239  1024.85   41.041  386.530   10.928  388.735   7.7908 -2.204529 13.42054 
1 1 1    5    9   26 o  375.573   7.6343  956.642   38.855   0.0000   0.0000  956.642   38.855  ?   ?   375.573   7.6343      ?      ? 
1 1 1    5    9   27 o  285.136   6.6775  551.301   25.802  551.301   25.802   0.0000   0.0000  285.136   6.6775  ?   ?       ?      ? 
1 1 1    5    9   28 o  282.702   6.7797  541.969   25.973   0.0000   0.0000  541.969   25.973  ?   ?   282.702   6.7797      ?      ? 
1 1 1    5    9   29 o  203.846   6.1801  281.762   17.072  281.762   17.072   0.0000   0.0000  203.846   6.1801  ?   ?       ?      ? 
1 1 1    5    9   30 o  158.915   4.4647  171.182   9.6124  167.911   13.413  174.635   13.782  157.356   6.2902  160.475   6.3377 -3.118881 8.929355 
1 1 1    5    9   31 o  471.462   6.1837  1508.68   39.506  1524.68   55.936  1492.76   55.804  473.958   8.7090  468.965   8.7809 4.993500 12.36734 
1 1 1    5    9   32 o  716.474   10.440  3503.26   95.493  3516.63  117.012  3476.59  165.235  719.164   12.007  713.783   17.083 5.380615 20.87997 
1 1 1    5    9   33 f  442.107   8.3688  1326.79   50.139  1326.79   50.139   0.0000   0.0000  442.107   8.3688  ?   ?       ?      ? 
1 1 1    5    9   34 o  110.343   5.8899   80.626   8.2023   77.301   9.8393   88.199   14.850  106.742   6.8021  113.944   9.6175 -7.202347 11.77990 
1 1 1    5    9   35 o  293.137   4.8426  583.105   19.235  587.628   27.070  578.492   27.336  294.289   6.7878  291.985   6.9085 2.304047 9.685184 
1 1 1    5    9   36 o  223.796   4.5387  339.135   13.751  323.490   18.951  356.530   19.983  218.357   6.4046  229.236   6.4328 -10.87875 9.077378 
1 1 1    5    9   37 o  374.128   5.3997  950.267   27.373  970.482   38.847  930.333   38.577  378.085   7.5821  370.171   7.6903 7.913971 10.79949 
1 1 1    5    9   38 o  172.411   4.4371  201.717   10.363  202.308   14.461  201.093   14.857  172.674   6.1800  172.148   6.3687 0.5268097 8.874267 
1 1 1    5    9   39 o  200.885   4.4422  273.931   12.089  278.108   16.967  269.625   17.228  202.446   6.1846  199.325   6.3782 3.120941 8.884315 
1 1 1    5    9   40 o  175.661   4.4243  209.248   10.527  203.834   14.628  215.065   15.162  173.307   6.2285  178.015   6.2852 -4.708130 8.848599 
1 1 1    5    9   41 o  257.579   5.6430  445.677   18.665  466.659   32.343  435.200   22.855  261.966   9.1106  253.193   6.6610 8.772888 11.28594 
1 1 1    5    9   42 o   94.899   6.1804   61.245   7.6247   61.195   12.722   61.273   9.5251   94.822   9.9004   94.977   7.4007 -0.1545868 12.36073 
1 1 1    5    9   43 o  307.577   4.9464  642.411   20.614  636.721   28.863  648.335   29.452  306.191   6.9560  308.963   7.0343 -2.771820 9.892820 
1 1 1    5    9   44 o  100.050   5.0810   67.954   6.8793   63.093   9.5948   73.096   9.8687   96.365   7.3474  103.735   7.0202 -7.370117 10.16204 
1 1 1    5    9   45 o  138.600   5.6933  134.277   10.066  119.152   16.909  142.580   12.527  132.295   9.4317  144.904   6.3796 -12.60902 11.38664 
1 1 1    5    9   46 o  205.682   4.5182  287.304   12.593  287.621   17.777  286.983   17.843  205.797   6.3743  205.566   6.4052 0.2306061 9.036483 
1 1 1    5    9   47 o  105.331   5.0364   75.495   7.1785   77.750   9.9866   73.084   10.326  106.971   6.8892  103.691   7.3485 3.279259 10.07282 
1 1 1    5    9   48 o  200.214   4.5353  272.375   12.300  275.288   17.198  269.325   17.598  201.318   6.3038  199.109   6.5223 2.209625 9.070699 
1 1 1    5    9   49 o   48.784   8.3665   16.701   5.4806   14.007   7.3953   19.983   8.1630   44.513   11.991   53.054   11.671 -8.541473 16.73308 
1 1 1    5    9   50 o  203.887   4.5933  282.019   12.680  271.322   17.499  293.845   18.399  199.826   6.4623  207.948   6.5292 -8.122620 9.186506 
1 1 1    5    9   51 o  126.994   5.9196  104.062   9.5583   94.366   11.441  126.466   17.391  117.799   7.1672  136.190   9.4232 -18.39156 11.83914 
1 1 1    5    9   52 o  328.652   6.3650  740.584   26.699  749.409   32.777  723.182   46.025  331.918   7.2872  325.387   10.438 6.530121 12.72996 
1 1 1    5    9   53 o  239.968   4.7496  391.491   15.443  388.831   21.648  394.248   22.038  239.142   6.6799  240.793   6.7539 -1.650757 9.499270 
1 1 1    5    9   54 o  263.723   5.9545  468.943   19.945  459.869   24.183  488.244   35.270  260.027   6.8630  267.419   9.7325 -7.392151 11.90895 
1 1 1    5    9   55 o  110.957   5.3828   83.810   8.0680   75.146   11.254   92.972   11.573  105.037   7.9064  116.878   7.3067 -11.84071 10.76560 
1 1 1    5    9   56 o  228.226   5.7768  345.546   16.795  328.576   20.292  382.458   29.927  219.767   6.8137  236.685   9.3306 -16.91768 11.55369 
1 1 1    5    9   57 o  220.469   6.7252  332.065   20.092  329.533   28.330  334.628   28.500  219.622   9.5189  221.317   9.5027 -1.694351 13.45030 
1 1 1    5    9   58 o  273.976   4.9412  510.844   18.342  497.255   25.698  524.954   26.187  270.258   7.0168  277.694   6.9587 -7.436096 9.882311 
1 1 1    5    9   59 o  107.960   5.4241   79.436   7.9342   81.377   11.308   77.553   11.136  109.262   7.6371  106.658   7.7043 2.603935 10.84817 
1 1 1    5    9   60 o   84.031   7.7314   48.148   8.2430   49.436   14.546   47.539   10.005   84.662   12.678   83.399   8.8524 1.263489 15.46285 
1 1 1    5    9   61 o  178.769   4.8006  217.857   11.623  213.573   16.621  221.957   16.259  177.027   6.9284  180.510   6.6469 -3.482803 9.601221 
1 1 1    5    9   62 o   70.645   8.6620   34.513   7.6648   36.786   13.277   33.377   9.3871   71.559   14.193   69.731   9.9339 1.827477 17.32392 
1 1 1    5    9   63 o  102.420   6.6745   68.880   8.9382   83.935   15.251   61.003   11.031  110.466   10.188   94.374   8.6256 16.09187 13.34896 
1 1 1    5    9   64 f   98.327   8.1433   66.683   10.770   56.202   14.788   78.520   15.716   90.015   12.123  106.639   10.875 -16.62360 16.28657 
1 1 1    5    9   65 o  125.313   5.2123  107.484   8.8459  111.330   12.479  103.599   12.542  127.592   7.2171  123.033   7.5222 4.558548 10.42454 
1 1 1    5    9   66 o   68.620   7.1666   32.573   6.6518   30.156   9.3635   35.035   9.4511   66.003   10.469   71.237   9.7903 -5.233765 14.33329 
1 1 1    5    9   67 o   93.384   6.9867   55.676   8.3963   46.414   10.117   76.168   15.049   82.024   9.1022  104.744   10.602 -22.72006 13.97340 
1 1 1    5    9   68 o   46.893   9.0284   15.976   6.1123   21.432   8.5492   10.271   8.7423   54.315   11.941   39.471   13.545 14.84330 18.05670 
1 1 1    5    9   69 o   85.690   6.1097   50.783   7.0871   48.042   10.007   53.541   10.038   83.325   8.8626   88.055   8.4123 -4.729874 12.21932 
1 1 1    5    9   70 o   75.226   6.7605   39.345   6.8795   38.584   9.4157   40.217   10.076   74.495   9.3270   75.957   9.7889 -1.462456 13.52095 
1 1 1    5    9   71 o   55.336   9.8339   22.135   7.0887   20.314   8.7362   25.645   12.128   52.425   12.477   58.248   15.203 -5.823128 19.66773 
1 1 1    5    9   72 o  121.000   5.2650  101.241   8.5882   88.204   11.958  115.131   12.342  112.828   7.8208  129.172   7.0510 -16.34428 10.53007 
1 1 1    5    9   73 o   93.641   5.8432   61.060   7.4140   62.252   10.557   59.899   10.415   94.550   8.2393   92.731   8.2878 1.818863 11.68644 
1 1 1    5    9   74 o   98.131   5.7553   67.249   7.6452   70.501   10.785   63.965   10.839  100.596   7.9115   95.666   8.3609 4.929817 11.51067 
1 1 1    5    9   75 o  106.916   7.0374   83.592   9.4721   74.171   16.200   88.486   11.676  101.179   11.815  112.654   7.6481 -11.47504 14.07474 
1 1 1    5    9   76 o   87.745   8.6138   54.271   10.242   0.0000   0.0000   54.271   10.242  ?   ?    87.745   8.6138      ?      ? 
1 1 1    5    9   77 o   66.977   9.1537   34.697   7.7038   31.103   12.957   36.663   9.5814   62.424   15.410   71.530   9.8845 -9.106106 18.30735 
1 1 1    5    9   78 o   34.647   9.7338   6.0365   6.6051   8.1802   11.001   4.8280   8.2597   37.558   14.763   31.736   12.690 5.822552 19.46750 
1 1 1    5    9   79 o   35.897   9.9096   6.0457   6.9432   13.031   11.324   1.8373   8.7891   42.246   15.329   29.549   12.562 12.69702 19.81924 
1 1 1    5    9   80 o   61.678   10.961   30.922   9.6225   18.506   13.212   44.948   14.043   47.977   16.641   75.379   14.270 -27.40189 21.92126 
1 1 1    5    9   81 o   94.762   8.8324   68.240   11.272   73.469   15.616   62.552   16.287   99.242   11.612   90.281   13.312 8.961174 17.66484 
1 1 1    5    9   82 o   77.065   10.484   47.841   10.516   45.232   14.182   51.026   15.673   74.973   14.483   79.157   15.163 -4.184250 20.96817 
1 1 1    5    9   83 o   70.071   11.103   41.674   10.353   49.293   14.345   33.391   14.958   78.448   14.008   61.693   17.230 16.75510 22.20555 
1 1 1    5    9   84 o   66.791   11.648   38.480   10.489   34.195   14.372   43.364   15.344   62.503   16.664   71.079   16.280 -8.575283 23.29613 
1 1 1    5    9   85 o   87.537   12.956   60.312   15.369   60.312   15.369   0.0000   0.0000   87.537   12.956  ?   ?       ?      ? 
1 1 1    5    9   86 o   34.515   10.496   3.6862   8.9499  -1.5072   12.007   10.180   13.426   30.139   13.653   38.891   15.947 -8.751850 20.99257 
1 1 1    5    9   87 o   36.014   10.860   6.5573   9.3583   3.3674   12.751   10.281   13.778   33.380   14.655   38.649   16.031 -5.268085 21.72021 
1 1 1    5    9   88 o   42.693   11.411   15.274   9.6487   6.0515   13.682   24.398   13.609   35.255   15.336   50.130   16.902 -14.87537 22.82242 
1 1 1    5    9   89 o   46.304   11.968   19.891   10.176   31.690   15.438   10.827   13.531   54.863   17.989   37.744   15.791 17.11867 23.93595 
1 1 1    5    9   90 o   32.943   14.748   4.1497   13.553   0.0000   0.0000   4.1497   13.553  ?   ?    32.943   14.748      ?      ? 
1 1 1    5    9   91 o   54.739   11.216   31.189   10.709   10.309   15.138   52.103   15.150   36.369   15.968   73.108   15.757 -36.73911 22.43289 
1 1 1    5   10    0 o  353.697   5.2223  847.293   25.016  825.439   34.647  871.093   36.157  348.939   7.3271  358.456   7.4434 -9.516663 10.44459 
1 1 1    5   10    1 o  206.118   4.4204  287.986   12.339  288.271   17.153  287.680   17.763  206.225   6.1380  206.011   6.3628 0.2146606 8.840817 
1 1 1    5   10    2 o  538.689   6.7905  1965.18   49.530  1896.80   68.391  2040.60   71.828  528.851   9.5430  548.526   9.6631 -19.67462 13.58102 
1 1 1    5   10    3 o  636.230   7.7056  2745.21   66.425  2807.66   94.863  2685.14   93.043  643.328   10.881  629.132   10.913 14.19568 15.41116 
1 1 1    5   10    4 o  518.971   6.6183  1825.31   46.525  1786.05   64.642  1867.52   67.014  513.187   9.2952  524.754   9.4237 -11.56738 13.23659 
1 1 1    5   10    5 o  768.039   8.9910  4003.47   93.575  4041.51  132.806  3965.97  131.870  771.663   12.700  764.414   12.730 7.248718 17.98194 
1 1 1    5   10    6 o  692.798   8.2502  3255.90   77.442  3208.65  108.280  3305.37  110.803  687.658   11.620  697.937   11.715 -10.27893 16.50047 
1 1 1    5   10    7 o  301.328   4.8933  614.984   19.970  599.611   27.676  631.681   28.843  297.404   6.8672  305.252   6.9728 -7.847351 9.786625 
1 1 1    5   10    8 o  437.096   5.8898  1295.55   34.885  1301.58   49.167  1289.44   49.504  438.122   8.2812  436.070   8.3773 2.051666 11.77953 
1 1 1    5   10    9 o  405.901   5.6477  1115.19   31.036  1071.75   42.779  1163.47   45.096  397.572   7.9403  414.231   8.0336 -16.65964 11.29544 
1 1 1    5   10   10 o  415.629   5.7257  1171.44   32.247  1184.64   45.536  1158.17   45.672  417.979   8.0394  413.279   8.1550 4.699249 11.45142 
1 1 1    5   10   11 o  231.168   5.7089  371.529   16.586  388.431   20.261  337.190   28.878  239.376   6.2458  222.960   9.5579 16.41617 11.41773 
1 1 1    5   10   12 o  285.868   5.6396  563.136   18.741  571.936   21.628  536.619   37.544  290.481   5.4944  281.255   9.8506 9.225830 11.27926 
1 1 1    5   10   13 f  333.950   5.9072  742.977   22.766  731.242   25.980  781.796   47.251  328.444   5.8372  339.457   10.272 -11.01245 11.81447 
1 1 1    5   10   14 o  267.759   5.4540  476.280   16.830  467.688   19.184  504.982   35.064  262.676   5.3894  272.841   9.4836 -10.16479 10.90800 
1 1 1    5   10   15 o  492.044   7.4163  1645.51   42.587  1648.10   49.064  1637.60   85.760  493.014   7.3438  491.074   12.887 1.940033 14.83263 
1 1 1    5   10   16 o  513.727   7.6323  1791.19   45.805  1791.34   52.778  1790.76   92.204  513.975   7.5776  513.479   13.251 0.4956665 15.26451 
1 1 1    5   10   17 o  367.713   6.2287  913.323   26.639  909.718   30.599  924.615   54.148  366.321   6.1639  369.105   10.826 -2.783478 12.45737 
1 1 1    5   10   18 o  451.280   7.3966  1374.61   42.351  1361.09   51.404  1403.17   74.725  447.966   8.4677  454.593   12.130 -6.626587 14.79322 
1 1 1    5   10   19 f  470.809   7.5986  1483.78   45.175  1448.80   54.425  1561.26   81.005  462.151   8.6902  479.466   12.467 -17.31522 15.19716 
1 1 1    5   10   20 o  418.624   7.1178  1196.96   37.993  1212.34   46.596  1166.44   65.623  422.778   8.1331  414.470   11.684 8.307556 14.23570 
1 1 1    5   10   21 o  471.230   7.1978  1495.48   39.394  1484.65   45.184  1529.82   80.439  467.902   7.1259  474.558   12.508 -6.655884 14.39557 
1 1 1    5   10   22 o  382.871   6.3663  982.150   28.231  970.829   32.304  1018.75   58.080  378.396   6.2998  387.346   11.065 -8.949707 12.73252 
1 1 1    5   10   23 o  358.951   6.1512  855.550   25.516  839.075   29.115  910.108   52.984  351.784   6.1074  366.117   10.679 -14.33237 12.30234 
1 1 1    5   10   24 o  529.895   7.7969  1896.57   48.126  1886.68   55.305  1927.43   97.676  527.378   7.7386  532.411   13.538 -5.032715 15.59374 
1 1 1    5   10   25 o  271.619   5.5884  508.561   17.737  516.669   20.523  484.628   35.258  276.055   5.4860  267.182   9.7379 8.873474 11.17688 
1 1 1    5   10   26 o  192.417   4.4163  251.047   11.508  263.177   16.394  239.261   16.160  197.001   6.1408  187.832   6.3487 9.169586 8.832611 
1 1 1    5   10   27 o  301.434   7.0140  616.356   28.651   0.0000   0.0000  616.356   28.651  ?   ?   301.434   7.0140      ?      ? 
1 1 1    5   10   28 o  251.217   9.1428  428.494   31.125   0.0000   0.0000  428.494   31.125  ?   ?   251.217   9.1428      ?      ? 
1 1 1    5   10   29 o  122.583   6.6029  101.933   10.969  101.933   10.969   0.0000   0.0000  122.583   6.6029  ?   ?       ?      ? 
1 1 1    5   10   30 o  324.547   6.2716  725.282   25.924  745.807   31.896  685.330   44.500  331.536   7.0993  317.558   10.341 13.97763 12.54326 
1 1 1    5   10   31 o  262.543   5.7891  465.496   19.249  461.075   23.327  474.932   34.077  260.692   6.6030  264.395   9.5109 -3.703705 11.57828 
1 1 1    5   10   32 o  312.280   4.9819  661.743   21.081  657.954   29.578  665.654   30.052  311.375   7.0098  313.186   7.0810 -1.811798 9.963821 
1 1 1    5   10   33 o  207.374   4.4779  291.537   12.578  281.489   17.512  302.246   18.079  203.686   6.3444  211.063   6.3209 -7.377289 8.955711 
1 1 1    5   10   34 f  140.562   4.5278  133.876   8.6127  124.281   11.957  144.225   12.417  135.331   6.5197  145.794   6.2848 -10.46246 9.055675 
1 1 1    5   10   35 o   77.519   5.8433   41.425   5.9862   52.289   8.5062   30.765   8.4261   87.763   7.1522   67.275   9.2425 20.48784 11.68665 
1 1 1    5   10   36 o  321.846   7.1874  703.299   31.347   0.0000   0.0000  703.299   31.347  ?   ?   321.846   7.1874      ?      ? 
1 1 1    5   10   37 o  236.945   4.6068  381.093   14.791  381.978   20.780  380.184   21.056  237.227   6.4641  236.663   6.5655 0.5645142 9.213593 
1 1 1    5   10   38 o  308.221   4.9817  644.791   20.803  630.188   29.044  660.175   29.810  304.640   7.0353  311.802   7.0552 -7.161804 9.963445 
1 1 1    5   10   39 o  347.303   6.3679  811.834   28.267  845.812   49.388  795.281   34.471  352.445   10.341  342.161   7.4344 10.28394 12.73570 
1 1 1    5   10   40 o  183.333   5.5315  233.706   13.069  210.308   21.586  247.246   16.421  175.828   9.0594  190.838   6.3496 -15.00945 11.06303 
1 1 1    5   10   41 o  163.788   5.5616  183.803   11.654  177.846   19.953  186.887   14.357  161.670   9.1075  165.906   6.3859 -4.235870 11.12327 
1 1 1    5   10   42 o  155.327   5.5388  163.508   11.015  165.539   19.050  162.488   13.500  155.967   9.0131  154.687   6.4403 1.280350 11.07760 
1 1 1    5   10   43 o  171.730   6.4099  200.282   14.917   0.0000   0.0000  200.282   14.917  ?   ?   171.730   6.4099      ?      ? 
1 1 1    5   10   44 o  277.721   4.8294  523.980   18.175  519.404   25.534  528.680   25.875  276.493   6.8147  278.948   6.8450 -2.454651 9.658896 
1 1 1    5   10   45 o  134.817   4.7196  123.499   8.6212  124.211   12.109  122.768   12.277  135.214   6.6087  134.419   6.7397 0.7944031 9.439221 
1 1 1    5   10   46 o  199.720   6.4948  271.000   17.578   0.0000   0.0000  271.000   17.578  ?   ?   199.720   6.4948      ?      ? 
1 1 1    5   10   47 o  231.614   4.6521  364.348   14.597  357.613   20.320  371.529   20.981  229.408   6.5364  233.820   6.6215 -4.412170 9.304236 
1 1 1    5   10   48 o   88.865   6.9723   54.480   7.7989   55.567   9.4745   52.196   13.734   90.370   7.7366   87.359   11.602 3.010582 13.94462 
1 1 1    5   10   49 o  103.137   6.3289   70.363   8.3439   66.401   10.102   78.870   14.803   98.789   7.5457  107.485   10.163 -8.695747 12.65771 
1 1 1    5   10   50 o  133.849   4.8458  121.603   8.7765  112.696   12.156  131.302   12.685  128.730   6.9682  138.967   6.7357 -10.23740 9.691550 
1 1 1    5   10   51 o  242.266   4.7597  398.545   15.613  377.255   21.661  421.568   22.525  235.534   6.7864  248.997   6.6757 -13.46379 9.519428 
1 1 1    5   10   52 o  184.382   6.0123  241.865   14.053  265.562   17.594  200.104   23.357  197.624   6.5698  171.140   10.071 26.48372 12.02464 
1 1 1    5   10   53 o   54.998   10.725   21.591   8.2913   18.955   11.962   24.029   11.503   52.080   15.670   57.917   14.647 -5.836861 21.44962 
1 1 1    5   10   54 o  117.270   5.1410   93.557   8.1138   79.461   11.235  108.926   11.731  108.011   7.6755  126.528   6.8416 -18.51774 10.28203 
1 1 1    5   10   55 o  136.375   6.9491  126.583   12.842  126.583   12.842   0.0000   0.0000  136.375   6.9491  ?   ?       ?      ? 
1 1 1    5   10   56 o   91.015   5.8285   56.586   7.1603   62.942   10.200   50.411   10.054   96.090   7.8334   85.939   8.6328 10.15085 11.65709 
1 1 1    5   10   57 o  100.479   5.7274   69.518   7.6114   51.386   10.589   88.900   10.948   86.715   9.0114  114.243   7.0717 -27.52846 11.45487 
1 1 1    5   10   58 o   71.202   7.4109   35.401   6.7481   47.627   9.8881   24.743   9.2322   83.479   8.7409   58.925   11.970 24.55336 14.82176 
1 1 1    5   10   59 o  223.482   6.7436  340.300   20.423   0.0000   0.0000  340.300   20.423  ?   ?   223.482   6.7436      ?      ? 
1 1 1    5   10   60 o  194.176   5.9713  262.947   14.712  243.071   25.257  273.154   18.099  188.167   9.9052  200.185   6.6719 -12.01767 11.94268 
1 1 1    5   10   61 o  130.051   5.0701  115.484   8.9106  104.429   12.459  127.059   12.749  123.642   7.4359  136.460   6.8943 -12.81821 10.14023 
1 1 1    5   10   62 o  102.257   5.5861   71.544   7.7329   76.069   11.053   67.205   10.823  105.444   7.7350   99.070   8.0616 6.374695 11.17228 
1 1 1    5   10   63 o  180.656   4.8036  222.947   11.751  211.320   16.496  234.924   16.742  175.847   6.9227  185.466   6.6614 -9.619431 9.607188 
1 1 1    5   10   64 o  111.463   6.5219   80.852   9.4432   70.143   11.532  102.644   16.451  101.038   8.4226  121.888   9.9601 -20.85005 13.04387 
1 1 1    5   10   65 o   87.524   7.3299   51.123   8.3599   46.319   10.292   60.435   14.331   81.913   9.2722   93.136   11.355 -11.22308 14.65979 
1 1 1    5   10   66 o   66.068   7.5802   31.032   6.5677   26.675   9.3573   35.263   9.2204   60.778   11.786   71.358   9.5351 -10.57999 15.16040 
1 1 1    5   10   67 o  124.386   6.2621  101.628   10.050  124.924   17.735   90.609   12.197  134.077   9.7608  114.695   7.8476 19.38277 12.52425 
1 1 1    5   10   68 o  115.256   7.5329   93.069   11.762   90.690   16.644   95.442   16.624  113.733   10.799  116.780   10.505 -3.046967 15.06584 
1 1 1    5   10   69 o   59.662   8.0007   25.827   6.2804   20.376   8.9005   31.233   8.8633   52.478   12.661   66.846   9.7845 -14.36859 16.00148 
1 1 1    5   10   70 o   54.018   8.6658   16.347   6.8689   4.4050   8.3697   40.985   12.022   32.129   12.798   75.907   11.687 -43.77783 17.33154 
1 1 1    5   10   71 o   73.574   9.0648   43.539   7.9914   51.623   9.9565   28.900   13.398   86.033   8.5400   61.115   15.992 24.91761 18.12962 
1 1 1    5   10   72 o   64.393   7.7815   29.973   6.5805   24.878   9.0919   35.578   9.5366   57.854   11.991   70.932   9.9212 -13.07771 15.56293 
1 1 1    5   10   73 o   42.570   10.255   12.763   6.8810   14.405   11.451   11.834   8.6086   44.637   15.492   40.502   13.440 4.135433 20.50920 
1 1 1    5   10   74 o   32.361   9.4714   2.8700   6.5296   6.8335   11.026   0.7290   8.1035   36.769   14.676   27.953   11.977 8.816303 18.94272 
1 1 1    5   10   75 o   82.333   9.1554   48.157   10.215   0.0000   0.0000   48.157   10.215  ?   ?    82.333   9.1554      ?      ? 
1 1 1    5   10   76 o  101.610   8.1731   72.857   11.254   0.0000   0.0000   72.857   11.254  ?   ?   101.610   8.1731      ?      ? 
1 1 1    5   10   77 o   43.110   9.5354   14.532   7.1174   1.6061   11.870   21.788   8.8934   33.144   14.350   53.076   12.560 -19.93291 19.07088 
1 1 1    5   10   78 o   58.727   10.616   27.043   9.2454   12.661   12.503   44.394   13.733   42.279   15.966   75.176   13.996 -32.89705 21.23183 
1 1 1    5   10   79 o   52.063   11.388   22.368   8.8118   20.862   11.812   24.258   13.232   50.391   15.652   53.736   16.546 -3.345497 22.77582 
1 1 1    5   10   80 o   30.494   9.4798  -1.0572   7.9453   5.0848   10.284 -10.1512   12.514   33.696   13.903   27.292   12.891 6.404112 18.95957 
1 1 1    5   10   81 o   42.834   11.152   14.113   8.6445   16.827   11.299   10.283   13.425   45.524   15.401   40.145   16.134 5.378456 22.30400 
1 1 1    5   10   82 o   59.761   10.849   31.228   9.4019   42.024   12.784   18.509   13.876   72.516   13.506   47.006   16.982 25.51070 21.69827 
1 1 1    5   10   83 o   34.987   10.510   5.1063   8.6224   4.3063   11.454   6.1525   13.098   33.654   14.325   36.321   15.384 -2.667519 21.02043 
1 1 1    5   10   84 o   44.558   11.594   16.677   9.1569   14.961   12.229   18.866   13.815   42.698   15.857   46.418   16.918 -3.719975 23.18776 
1 1 1    5   10   85 f   35.459   15.076   6.3833   12.661   6.3833   12.661   0.0000   0.0000   35.459   15.076  ?   ?       ?      ? 
1 1 1    5   10   86 o   35.854   10.662   7.2695   8.9359   2.9185   12.646   11.609   12.629   32.805   14.491   38.903   15.643 -6.097935 21.32348 
1 1 1    5   10   87 o   37.911   11.094   10.719   9.3581   8.2254   13.440   13.066   13.038   36.224   15.470   39.599   15.905 -3.374928 22.18756 
1 1 1    5   10   88 o   31.518   10.010   1.3271   9.0775   7.3480   12.928  -4.5275   12.748   34.800   15.022   28.236   13.235 6.563557 20.02042 
1 1 1    5   10   89 o   44.184   17.016   20.907   14.381   0.0000   0.0000   20.907   14.381  ?   ?    44.184   17.016      ?      ? 
1 1 1    5   11    0 o  350.052   5.2743  828.671   24.985  787.516   34.260  875.421   36.515  340.795   7.4185  359.309   7.4993 -18.51422 10.54864 
1 1 1    5   11    1 o  267.423   5.9151  483.301   20.156  490.055   35.214  480.009   24.582  268.765   9.6684  266.080   6.8173 2.685181 11.83021 
1 1 1    5   11    2 o  281.706   6.0754  548.238   21.896  507.000   37.031  570.405   27.150  273.360   9.9965  290.052   6.9075 -16.69202 12.15085 
1 1 1    5   11    3 o  546.637   8.5033  2054.25   59.895  1943.83  100.440  2115.19   74.613  534.918   13.856  558.356   9.8609 -23.43805 17.00669 
1 1 1    5   11    4 o  724.760   10.547  3583.65   98.012  3527.23  167.815  3612.85  120.745  720.052   17.198  729.467   12.215 -9.415344 21.09452 
1 1 1    5   11    5 o  515.683   8.1277  1807.76   53.672  1797.07   92.380  1813.21   65.944  514.376   13.253  516.990   9.4126 -2.614197 16.25550 
1 1 1    5   11    6 o  351.648   7.5430  838.518   35.945   0.0000   0.0000  838.518   35.945  ?   ?   351.648   7.5430      ?      ? 
1 1 1    5   11    7 o  781.141   9.1542  4143.83   96.899  4192.05  137.673  4096.50  136.406  785.646   12.931  776.636   12.961 9.009888 18.30848 
1 1 1    5   11    8 o  580.424   7.2127  2285.73   56.726  2265.68   79.515  2306.52   80.949  577.835   10.155  583.012   10.246 -5.177124 14.42548 
1 1 1    5   11    9 o  387.808   5.5555  1019.47   29.186  1002.77   40.644  1037.26   41.938  384.531   7.7997  391.085   7.9132 -6.552948 11.11101 
1 1 1    5   11   10 o  340.618   5.2113  785.839   24.038  762.133   33.260  811.764   34.782  335.248   7.3210  345.988   7.4183 -10.74005 10.42251 
1 1 1    5   11   11 o  326.474   7.2320  722.960   31.968  714.530   44.200  732.208   46.293  324.488   10.052  328.460   10.400 -3.971588 14.46394 
1 1 1    5   11   12 o  228.554   5.7326  356.064   16.392  358.928   19.745  349.711   29.403  230.086   6.3327  227.021   9.5575 3.065125 11.46515 
1 1 1    5   11   13 o  309.698   6.2000  655.843   24.233  665.114   29.451  636.408   42.642  313.186   6.9394  306.210   10.276 6.975616 12.39990 
1 1 1    5   11   14 o  447.804   7.3872  1325.39   41.374  1271.75   49.267  1453.76   76.212  432.980   8.3966  462.628   12.156 -29.64795 14.77437 
1 1 1    5   11   15 o  247.134   5.4707  415.201   15.599  416.059   17.877  412.461   31.932  247.739   5.3250  246.530   9.5582 1.208878 10.94147 
1 1 1    5   11   16 o  327.350   5.9817  733.810   22.781  740.404   26.257  713.729   45.820  330.463   5.8632  324.237   10.428 6.225983 11.96343 
1 1 1    5   11   17 o  358.100   6.2157  875.249   25.883  880.142   29.799  860.216   52.235  360.286   6.1033  355.915   10.830 4.370880 12.43144 
1 1 1    5   11   18 o  366.289   6.2739  907.641   26.663  904.989   30.599  916.009   54.346  365.327   6.1808  367.250   10.920 -1.923889 12.54789 
1 1 1    5   11   19 o  250.744   5.5098  426.753   15.943  426.947   18.266  426.133   32.668  250.946   5.3714  250.542   9.6219 0.4047546 11.01967 
1 1 1    5   11   20 o  286.170   5.6689  552.582   18.772  549.772   21.505  561.580   38.479  284.753   5.5730  287.587   9.8736 -2.834198 11.33781 
1 1 1    5   11   21 o  222.008   5.3357  329.999   13.738  325.991   15.727  342.903   28.222  219.274   5.2926  224.742   9.2666 -5.467377 10.67150 
1 1 1    5   11   22 o  316.923   7.0511  681.366   30.283  681.366   30.283   0.0000   0.0000  316.923   7.0511  ?   ?       ?      ? 
1 1 1    5   11   23 o  185.519   6.3043  233.436   15.849  233.436   15.849   0.0000   0.0000  185.519   6.3043  ?   ?       ?      ? 
1 1 1    5   11   24 o  281.253   6.7550  536.632   25.746  536.632   25.746   0.0000   0.0000  281.253   6.7550  ?   ?       ?      ? 
1 1 1    5   11   25 o  202.191   5.6774  282.270   14.422  290.747   17.535  264.553   25.352  207.034   6.2501  197.347   9.4798 9.687180 11.35476 
1 1 1    5   11   26 o  271.408   9.7522  500.522   35.868   0.0000   0.0000  500.522   35.868  ?   ?   271.408   9.7522      ?      ? 
1 1 1    5   11   27 o  314.309   6.1859  653.980   24.625  625.232   29.616  718.364   44.322  303.523   7.2004  325.094   10.061 -21.57050 12.37185 
1 1 1    5   11   28 o  246.313   5.4193  407.700   15.508  403.828   17.780  420.014   31.706  244.014   5.3768  248.612   9.4110 -4.598282 10.83865 
1 1 1    5   11   29 o  105.397   6.0016   70.866   8.0827   62.754   9.6966   89.337   14.631   96.145   7.4424  114.650   9.4174 -18.50505 12.00315 
1 1 1    5   11   30 o  198.868   4.4865  267.885   12.076  250.540   16.722  286.791   17.458  192.148   6.4222  205.587   6.2665 -13.43884 8.972909 
1 1 1    5   11   31 o  116.585   4.7868   92.236   7.5601   88.937   10.610   95.638   10.775  114.466   6.8398  118.704   6.6986 -4.237831 9.573652 
1 1 1    5   11   32 o  241.672   6.5352  396.411   21.403   0.0000   0.0000  396.411   21.403  ?   ?   241.672   6.5352      ?      ? 
1 1 1    5   11   33 o  206.591   4.5080  289.349   12.613  277.328   17.517  302.294   18.177  202.139   6.3946  211.043   6.3559 -8.904800 9.016029 
1 1 1    5   11   34 o  319.260   5.0517  691.777   21.846  721.528   31.273  663.422   30.531  325.967   7.0797  312.554   7.2082 13.41324 10.10349 
1 1 1    5   11   35 o  309.594   5.0065  650.763   21.000  670.445   29.942  631.708   29.460  314.205   7.0320  304.983   7.1281 9.221802 10.01295 
1 1 1    5   11   36 o  258.046   5.6620  438.376   18.685  495.003   33.172  412.059   22.613  269.756   9.0743  246.335   6.7741 23.42128 11.32391 
1 1 1    5   11   37 o  313.149   7.1663  666.150   30.411   0.0000   0.0000  666.150   30.411  ?   ?   313.149   7.1663      ?      ? 
1 1 1    5   11   38 o  244.450   5.7798  403.195   17.939  415.183   31.667  397.530   21.769  246.960   9.4625  241.940   6.6399 5.020233 11.55966 
1 1 1    5   11   39 o  207.530   4.5668  292.236   12.835  278.237   17.888  307.091   18.427  202.407   6.5217  212.653   6.3945 -10.24590 9.133565 
1 1 1    5   11   40 o  163.304   4.5295  181.126   10.023  181.809   14.119  180.432   14.232  163.617   6.3679  162.992   6.4433 0.6254883 9.058999 
1 1 1    5   11   41 o  190.807   4.5232  247.291   11.687  259.895   16.629  234.988   16.429  195.620   6.2730  185.993   6.5182 9.627045 9.046402 
1 1 1    5   11   42 o  220.750   4.5944  331.009   13.743  327.247   19.305  334.874   19.569  219.479   6.4908  222.020   6.5041 -2.541672 9.188789 
1 1 1    5   11   43 o  205.642   4.5924  287.299   12.796  286.086   17.946  288.554   18.251  205.204   6.4536  206.081   6.5354 -0.8761749 9.184746 
1 1 1    5   11   44 o  255.882   5.7592  433.078   18.738  411.054   22.590  481.652   33.549  245.924   6.7785  265.841   9.3126 -19.91772 11.51840 
1 1 1    5   11   45 o  304.518   6.1926  640.017   24.155  658.350   29.898  605.558   40.991  311.162   7.0905  297.875   10.155 13.28693 12.38525 
1 1 1    5   11   46 o  240.267   4.7597  392.492   15.494  401.725   21.920  383.271   21.905  243.101   6.6538  237.434   6.8079 5.667404 9.519460 
1 1 1    5   11   48 o  240.640   6.7823  395.309   22.108  408.323   31.268  382.300   31.263  244.630   9.4320  236.650   9.7486 7.979858 13.56458 
1 1 1    5   11   49 o  202.819   4.7588  279.535   13.067  297.053   18.742  262.966   18.228  209.009   6.6173  196.628   6.8409 12.38100 9.517661 
1 1 1    5   11   50 o  147.174   4.8329  147.363   9.6375  149.128   13.574  145.569   13.686  148.069   6.7649  146.280   6.9041 1.788986 9.665896 
1 1 1    5   11   51 o  159.324   9.5701  173.381   20.662   0.0000   0.0000  173.381   20.662  ?   ?   159.324   9.5701      ?      ? 
1 1 1    5   11   52 o  164.063   5.8706  185.469   12.265  189.379   15.060  177.771   21.132  166.842   6.6612  161.285   9.6688 5.557159 11.74129 
1 1 1    5   11   53 o  198.959   4.7043  269.361   12.684  268.391   17.883  270.342   17.992  198.600   6.6448  199.318   6.6610 -0.7185669 9.408661 
1 1 1    5   11   54 o  167.321   4.7515  190.594   10.770  184.723   15.198  196.519   15.266  164.721   6.8084  169.920   6.6298 -5.199203 9.503075 
1 1 1    5   11   55 o  146.294   4.9385  145.858   9.7854  142.891   13.968  148.718   13.713  144.817   7.1176  147.770   6.8479 -2.953751 9.876939 
1 1 1    5   11   56 o  166.633   5.9858  192.884   12.637  180.592   21.839  199.072   15.495  162.312   9.9289  170.955   6.6884 -8.642761 11.97158 
1 1 1    5   11   57 o  100.822   5.7325   69.851   7.7859   62.880   11.208   76.354   10.824   95.876   8.6263  105.767   7.5520 -9.891006 11.46498 
1 1 1    5   11   58 o  120.376   6.6405  103.098   9.9336   89.624   17.392  109.621   12.102  113.999   11.258  126.754   7.0454 -12.75502 13.28091 
1 1 1    5   11   59 o  101.704   6.9371   72.149   8.9104   68.199   15.519   74.091   10.883   99.314   11.531  104.094   7.7151 -4.780190 13.87424 
1 1 1    5   11   60 o   82.819   6.1769   47.021   6.9240   50.371   9.9593   43.887   9.6329   85.689   8.5767   79.948   8.8913 5.741585 12.35374 
1 1 1    5   11   61 o  131.623   5.9721  115.782   10.195  108.640   12.534  129.744   17.525  125.996   7.3407  137.250   9.4223 -11.25446 11.94423 
1 1 1    5   11   62 o   97.876   7.0025   67.089   8.8134   69.180   10.972   63.286   14.797  100.378   8.0659   95.373   11.449 5.005264 14.00508 
1 1 1    5   11   63 o  115.367   5.2536   91.514   8.1910   84.571   11.656   98.287   11.513  110.972   7.7512  119.762   7.0936 -8.790901 10.50717 
1 1 1    5   11   64 f   73.753   6.6322   37.580   6.6064   42.053   9.5714   33.510   9.1299   77.989   9.0565   69.517   9.6915 8.471771 13.26441 
1 1 1    5   11   65 o  126.228   5.1787  109.641   8.8353   99.902   12.415  119.634   12.576  120.472   7.6047  131.983   7.0316 -11.51176 10.35734 
1 1 1    5   11   66 o   46.752   8.9924   16.070   6.0142   11.157   8.6086   20.755   8.4057   40.278   13.444   53.227   11.947 -12.94970 17.98484 
1 1 1    5   11   67 o  100.590   5.6818   69.995   7.7398   73.709   11.092   66.470   10.805  103.217   7.9301   97.964   8.1392 5.253448 11.36363 
1 1 1    5   11   68 o   55.119   8.5602   22.580   6.2310   19.350   8.9262   25.651   8.7021   50.939   12.914   59.298   11.241 -8.359631 17.12046 
1 1 1    5   11   69 o   45.444   9.4357   15.361   6.1998   14.465   8.8048   16.242   8.7314   44.261   13.473   46.627   13.214 -2.365913 18.87141 
1 1 1    5   11   70 o   91.354   8.5949   60.276   10.640   60.216   15.129   60.335   14.965   91.273   12.232   91.435   12.078 -0.1617126 17.18981 
1 1 1    5   11   71 o  100.542   7.3022   75.174   9.2466   62.054   15.416   82.547   11.556   92.332   12.321  108.752   7.8413 -16.42022 14.60448 
1 1 1    5   11   72 o   43.388   11.108   12.126   8.6890   5.8706   11.818   19.484   12.819   36.717   14.998   50.059   16.390 -13.34266 22.21657 
1 1 1    5   11   73 o   30.718   9.2043   2.1723   6.5275   0.1429   10.715   3.3699   8.2311   31.030   13.533   30.406   12.479 0.6234951 18.40865 
1 1 1    5   11   74 o   77.150   7.8637   42.732   7.9502   46.176   13.197   40.770   9.9606   78.917   12.340   75.383   9.7506 3.533401 15.72730 
1 1 1    5   11   75 o   77.477   14.373   47.116   14.535   0.0000   0.0000   47.116   14.535  ?   ?    77.477   14.373      ?      ? 
1 1 1    5   11   76 o   43.605   11.255   14.054   8.6433   12.401   11.807   15.963   12.687   41.726   15.564   45.484   16.261 -3.757469 22.50943 
1 1 1    5   11   77 o   34.980   10.323   3.7775   8.1656  -0.6701   10.659   10.096   12.704   29.976   13.269   39.984   15.818 -10.00752 20.64660 
1 1 1    5   11   78 o   82.418   9.9942   50.761   10.510   32.204   13.472   79.621   16.800   62.026   15.941  102.811   12.059 -40.78475 19.98839 
1 1 1    5   11   79 o   40.752   10.384   10.234   8.7062   21.811   11.489  -5.3830   13.343   51.155   15.349   30.349   13.989 20.80626 20.76736 
1 1 1    5   11   80 o   71.711   10.646   41.058   10.239   28.533   13.500   58.019   15.710   57.345   16.491   86.077   13.468 -28.73167 21.29150 
1 1 1    5   11   81 o   46.438   11.536   18.336   9.0667   20.403   12.086   15.676   13.711   48.748   15.913   44.129   16.706 4.618633 23.07216 
1 1 1    5   11   82 o   39.022   11.092   10.495   8.9358   11.445   11.625   9.1228   13.970   39.356   15.259   38.689   16.103 0.6669579 22.18420 
1 1 1    5   11   83 o   64.521   11.430   37.198   9.9635   36.709   13.735   37.742   14.476   64.387   15.848   64.655   16.474 -0.2671509 22.85970 
1 1 1    5   11   84 o   50.502   11.897   24.130   9.6239   27.478   13.578   20.750   13.643   53.880   16.789   47.125   16.861 6.754707 23.79406 
1 1 1    5   11   85 o   54.461   16.938   29.019   13.829   29.019   13.829   0.0000   0.0000   54.461   16.938  ?   ?       ?      ? 
1 1 1    5   11   86 f   36.131   10.810   9.0518   9.1306   9.7808   13.048   8.3524   12.781   36.689   15.436   35.574   15.137 1.114666 21.61963 
1 1 1    5   11   87 o   29.502   9.5619  -0.2950   8.6518   0.4500   12.249  -1.0367   12.222   29.898   13.639   29.105   13.405 0.7924328 19.12375 
1 1 1    5   12    0 o  213.358   4.6411  307.987   13.403  294.211   18.416  323.500   19.542  208.298   6.5243  218.419   6.6024 -10.12042 9.282170 
1 1 1    5   12    1 o  284.008   5.8568  544.131   21.611  557.977   36.343  536.556   26.880  286.739   9.3530  281.277   7.0519 5.461395 11.71362 
1 1 1    5   12    2 o  165.471   5.6184  191.098   12.140  162.475   19.086  210.549   15.734  154.734   9.1023  176.208   6.5889 -21.47424 11.23685 
1 1 1    5   12    3 o  343.560   6.3957  808.770   28.571  772.607   47.094  829.832   35.941  337.346   10.302  349.774   7.5826 -12.42780 12.79142 
1 1 1    5   12    4 o  202.573   5.5595  282.360   14.736  262.244   23.739  294.971   18.796  196.586   8.9109  208.561   6.6503 -11.97482 11.11890 
1 1 1    5   12    5 o  248.630   5.7107  422.605   18.511  407.282   30.400  431.634   23.336  244.976   9.1573  252.283   6.8259 -7.307373 11.42149 
1 1 1    5   12    6 o  299.465   4.9895  607.353   20.230  588.008   27.906  628.782   29.370  294.448   6.9937  304.481   7.1182 -10.03262 9.978971 
1 1 1    5   12    7 o  324.725   5.1491  715.216   22.651  714.972   31.629  715.473   32.454  324.672   7.1887  324.778   7.3740 -0.1051025 10.29823 
1 1 1    5   12    8 o  403.978   5.7075  1106.62   31.233  1086.30   43.433  1128.38   44.946  400.144   8.0097  407.812   8.1330 -7.667877 11.41494 
1 1 1    5   12    9 o  388.765   5.5883  1024.81   29.428  1006.73   40.894  1044.23   42.381  385.215   7.8338  392.314   7.9717 -7.099091 11.17662 
1 1 1    5   12   10 o  304.247   5.0120  627.016   20.645  609.067   28.455  646.966   29.999  299.659   7.0072  308.835   7.1680 -9.175140 10.02403 
1 1 1    5   12   11 o  305.536   5.0221  633.360   20.787  639.107   29.104  627.376   29.699  306.957   6.9968  304.116   7.2065 2.840240 10.04429 
1 1 1    5   12   12 o  170.517   5.4606  196.314   10.558  195.524   11.992  199.036   22.268  169.820   5.2109  171.213   9.5978 -1.392654 10.92114 
1 1 1    5   12   13 o  177.090   5.5313  219.018   11.097  224.436   12.694  201.457   22.854  181.943   5.1487  172.238   9.7915 9.705093 11.06267 
1 1 1    5   12   14 o  177.434   5.4317  210.648   11.004  208.157   12.511  219.160   23.128  175.216   5.2691  179.651   9.5001 -4.435379 10.86344 
1 1 1    5   12   15 o  530.245   7.9184  1928.12   49.148  1945.33   56.820  1877.00   97.946  535.410   7.8312  525.081   13.765 10.32843 15.83683 
1 1 1    5   12   16 o  550.952   8.0309  2060.20   59.960  2060.20   59.960   0.0000   0.0000  550.952   8.0309  ?   ?       ?      ? 
1 1 1    5   12   17 o  421.198   6.7142  1203.53   38.323  1203.53   38.323   0.0000   0.0000  421.198   6.7142  ?   ?       ?      ? 
1 1 1    5   12   18 o  477.195   7.2566  1545.21   46.926  1545.21   46.926   0.0000   0.0000  477.195   7.2566  ?   ?       ?      ? 
1 1 1    5   12   19 o  482.337   7.4197  1581.02   41.575  1580.62   47.777  1582.23   84.380  482.613   7.3052  482.061   12.917 0.5524597 14.83946 
1 1 1    5   12   20 o  387.116   6.5154  1020.74   29.311  1023.32   33.712  1012.73   59.336  388.382   6.4054  385.851   11.348 2.530273 13.03083 
1 1 1    5   12   21 o  292.934   5.7607  577.584   19.511  573.003   22.328  592.380   40.127  290.657   5.6687  295.210   10.030 -4.553406 11.52140 
1 1 1    5   12   22 o  312.018   5.9147  667.380   21.477  673.416   24.759  649.030   43.168  315.082   5.7986  308.954   10.311 6.127899 11.82934 
1 1 1    5   12   23 o  286.361   5.6727  541.454   18.686  528.321   21.253  586.172   39.218  279.085   5.6196  293.637   9.8558 -14.55194 11.34532 
1 1 1    5   12   24 o  172.396   5.5216  206.545   10.893  210.850   12.501  192.968   22.203  176.318   5.2321  168.473   9.7250 7.844925 11.04318 
1 1 1    5   12   25 o  154.583   5.5175  164.060   9.8449  165.718   11.309  158.870   20.005  156.307   5.3392  152.858   9.6573 3.448364 11.03496 
1 1 1    5   12   26 o  219.403   5.4068  325.450   13.748  324.105   15.764  329.722   28.092  218.589   5.3219  220.217   9.4135 -1.628494 10.81369 
1 1 1    5   12   27 o  150.711   5.4986  155.655   9.5590  156.928   10.972  151.645   19.472  152.099   5.3232  149.323   9.6230 2.775406 10.99722 
1 1 1    5   12   28 o  160.449   5.5398  179.732   10.291  184.496   11.890  165.510   20.543  164.915   5.3203  155.982   9.7186 8.932236 11.07962 
1 1 1    5   12   29 o  363.573   6.3834  919.933   27.226  942.200   31.639  856.401   53.444  372.583   6.2664  354.562   11.123 18.02087 12.76671 
1 1 1    5   12   30 f  173.607   5.4760  209.230   11.063  213.687   12.796  196.032   22.020  177.473   5.3204  169.741   9.5729 7.732773 10.95201 
1 1 1    5   12   31 o  124.869   6.0616  107.163   9.6149  109.415   11.777  102.664   16.649  126.935   6.8467  122.803   10.005 4.132065 12.12316 
1 1 1    5   12   32 o  233.455   5.7154  359.721   16.978  340.775   20.474  401.430   30.378  224.013   6.7445  242.897   9.2291 -18.88397 11.43083 
1 1 1    5   12   33 o  282.821   9.9765  544.727   38.236   0.0000   0.0000  544.727   38.236  ?   ?   282.821   9.9765      ?      ? 
1 1 1    5   12   34 f  146.717   5.9405  149.229   10.907  138.877   19.268  154.110   13.230  142.790   9.9577  150.645   6.4807 -7.855408 11.88093 
1 1 1    5   12   35 o  128.091   4.7911  111.435   8.3117  106.378   11.667  116.645   11.844  125.136   6.8802  131.046   6.6694 -5.909805 9.582174 
1 1 1    5   12   36 o  217.008   4.5824  319.865   13.473  328.437   19.104  311.383   19.003  219.906   6.4106  214.110   6.5496 5.796249 9.164728 
1 1 1    5   12   37 o  129.107   4.7437  113.210   8.2969  117.278   11.837  109.282   11.633  131.389   6.6482  126.825   6.7685 4.563797 9.487437 
1 1 1    5   12   38 o  176.005   4.5478  210.429   10.845  216.574   15.400  204.385   15.274  178.559   6.3643  173.452   6.4983 5.106781 9.095685 
1 1 1    5   12   39 o  155.288   4.6070  163.827   9.6943  161.530   13.650  166.164   13.771  154.189   6.5326  156.388   6.4979 -2.198532 9.213950 
1 1 1    5   12   40 o   90.190   8.0169   64.606   8.1683   82.514   10.352   35.067   13.296  110.177   6.9337   70.203   14.457 39.97359 16.03371 
1 1 1    5   12   41 o  183.461   5.5835  229.435   13.165  230.295   16.242  227.788   22.478  184.089   6.5108  182.832   9.0725 1.256973 11.16696 
1 1 1    5   12   42 o   91.005   5.8051   56.341   7.0126   72.631   10.284   42.185   9.5871  103.334   7.3442   78.676   8.9922 24.65845 11.61022 
1 1 1    5   12   43 o  126.931   6.2692  109.082   10.143  107.698   12.359  111.938   17.752  125.828   7.2478  128.034   10.231 -2.205284 12.53847 
1 1 1    5   12   44 o  176.774   6.6864  210.846   15.877  175.437   21.356  254.606   23.741  160.314   9.8304  193.235   9.0663 -32.92099 13.37286 
1 1 1    5   12   45 o  183.306   4.7122  228.473   11.701  219.969   16.466  237.146   16.630  179.852   6.7560  186.760   6.5708 -6.908463 9.424393 
1 1 1    5   12   46 o  145.632   4.8921  144.286   9.6523  140.482   13.631  148.113   13.670  143.700   7.0000  147.565   6.8359 -3.864838 9.784118 
1 1 1    5   12   47 o   99.379   5.5488   67.353   7.4097   56.398   10.303   79.090   10.664   90.962   8.3582  107.795   7.3004 -16.83261 11.09753 
1 1 1    5   12   48 o  107.886   5.2983   79.261   7.7455   78.976   11.015   79.541   10.893  107.690   7.5481  108.082   7.4374 -0.3926773 10.59662 
1 1 1    5   12   49 o  145.961   6.1004  149.562   11.262  158.178   13.890  133.028   19.241  152.471   6.7225  139.450   10.182 13.02173 12.20079 
1 1 1    5   12   50 o  129.954   6.1924  114.720   10.340  113.523   12.710  117.062   17.780  129.107   7.2645  130.801   10.031 -1.693604 12.38489 
1 1 1    5   12   51 o  246.076   4.8916  412.161   16.307  398.891   22.839  425.962   23.292  242.029   6.9636  250.123   6.8718 -8.094055 9.783279 
1 1 1    5   12   52 o  252.586   6.0620  438.389   19.537  427.896   33.686  443.708   23.983  249.945   9.9454  255.228   6.9341 -5.282578 12.12404 
1 1 1    5   12   53 o  173.248   6.0413  208.822   13.259  194.356   22.881  216.135   16.268  168.370   10.028  178.126   6.7394 -9.755859 12.08263 
1 1 1    5   12   54 o  164.640   4.8782  184.745   10.883  187.399   15.510  182.170   15.274  165.804   6.9028  163.475   6.8949 2.328659 9.756458 
1 1 1    5   12   55 o  220.110   4.8245  330.391   14.390  329.811   20.427  330.962   20.275  219.912   6.8543  220.309   6.7912 -0.3966064 9.648952 
1 1 1    5   12   56 o  143.203   5.0821  140.531   9.8069  123.451   13.863  157.643   13.876  134.394   7.6117  152.012   6.7358 -17.61812 10.16411 
1 1 1    5   12   57 o   55.670   8.7759   26.587   7.3449   1.2348   12.790   39.063   8.9719   35.889   15.201   75.451   8.7748 -39.56131 17.55189 
1 1 1    5   12   58 o  135.234   7.1487  126.949   12.916  101.768   18.084  153.166   18.452  121.235   11.007  149.233   9.1243 -27.99721 14.29741 
1 1 1    5   12   59 o   78.919   8.2720   45.024   8.1025   47.651   10.112   40.311   13.544   83.201   8.9683   74.637   13.902 8.563118 16.54401 
1 1 1    5   12   60 o   64.146   7.6417   28.860   6.4739   32.834   9.4789   25.386   8.8632   68.845   10.160   59.446   11.417 9.398777 15.28348 
1 1 1    5   12   61 o  118.846   5.2659   97.220   8.4572   90.446   12.091  103.710   11.834  114.711   7.7780  122.980   7.1008 -8.269211 10.53179 
1 1 1    5   12   62 o  109.977   5.3852   83.298   8.0153   80.442   11.496   85.999   11.182  108.089   7.8482  111.864   7.3761 -3.774582 10.77036 
1 1 1    5   12   63 f   63.898   7.8412   30.063   6.4056   19.682   9.1288   40.132   8.9906   51.667   13.038   76.129   8.7147 -24.46255 15.68237 
1 1 1    5   12   64 o   46.274   9.0272   15.619   5.8853   18.615   8.5473   12.918   8.1156   50.216   12.585   42.332   12.945 7.883633 18.05435 
1 1 1    5   12   65 o   90.223   5.8194   56.610   7.0939   53.655   10.247   59.331   9.8307   87.858   8.6064   92.588   7.8352 -4.730095 11.63872 
1 1 1    5   12   66 o   58.647   8.0093   25.197   6.1875   20.708   8.9466   29.312   8.5665   52.696   12.682   64.597   9.7861 -11.90084 16.01860 
1 1 1    5   12   67 o   82.577   8.5226   52.435   8.2509   42.306   14.599   57.188   10.001   74.538   14.973   90.616   8.1445 -16.07871 17.04513 
1 1 1    5   12   68 o   36.130   9.6178   3.8050   6.4373   16.221   11.545  -1.7973   7.7547   46.766   15.566   25.494   11.300 21.27170 19.23552 
1 1 1    5   12   69 o   40.712   10.520   9.0985   7.9777   18.436   12.056   1.8245   10.641   49.047   15.886   32.378   13.795 16.66970 21.03946 
1 1 1    5   12   70 o   50.122   10.126   17.845   6.9660   26.140   12.106   13.739   8.5171   57.497   15.278   42.746   13.293 14.75108 20.25108 
1 1 1    5   12   71 o   58.779   9.6767   26.153   7.2695   29.187   12.466   24.589   8.9487   60.552   15.211   57.006   11.965 3.545689 19.35346 
1 1 1    5   12   72 o   73.908   10.041   41.407   9.9283   18.727   13.111   71.896   15.201   48.714   16.589   99.102   11.319 -50.38868 20.08285 
1 1 1    5   12   73 o   76.905   10.017   44.986   10.096   34.105   13.386   59.344   15.377   64.915   15.442   88.894   12.765 -23.97931 20.03461 
1 1 1    5   12   74 o   40.075   15.894   9.8990   12.858   0.0000   0.0000   9.8990   12.858  ?   ?    40.075   15.894      ?      ? 
1 1 1    5   12   75 o   30.957   13.914  -2.0980   12.192   0.0000   0.0000  -2.0980   12.192  ?   ?    30.957   13.914      ?      ? 
1 1 1    5   12   76 o   77.505   9.9231   45.107   9.9270   28.467   12.781   70.412   15.761   58.329   15.785   96.682   12.030 -38.35255 19.84628 
1 1 1    5   12   77 o   33.225   10.090   3.1322   8.0217   4.0039   10.165   1.6936   13.059   32.567   13.660   33.883   14.855 -1.315357 20.18023 
1 1 1    5   12   78 o   46.358   11.217   16.105   8.7308   8.7562   11.350   26.755   13.663   37.387   14.900   55.328   16.770 -17.94094 22.43330 
1 1 1    5   12   79 o   33.236   10.070   3.7061   8.0272   3.8349   10.551   3.5291   12.369   32.484   13.785   33.988   14.683 -1.503979 20.13996 
1 1 1    5   12   80 o   38.429   10.762   8.8767   8.4235   3.3248   11.011   16.709   13.079   32.331   13.910   44.528   16.426 -12.19701 21.52445 
1 1 1    5   12   81 o   40.894   10.580   9.2875   8.7077  -3.2905   11.529   25.994   13.287   28.568   13.107   53.220   16.612 -24.65249 21.15958 
1 1 1    5   12   82 o   33.867   9.9488   1.9440   8.5737   15.595   12.069 -11.9651   12.182   42.458   15.755   25.277   12.152 17.18050 19.89770 
1 1 1    5   12   83 o   34.079   10.300   3.9206   8.8940  -4.8831   12.373   13.334   12.794   28.175   13.151   39.983   15.856 -11.80789 20.59984 
1 1 1    5   12   84 o   36.776   15.405   9.9103   12.903   9.9103   12.903   0.0000   0.0000   36.776   15.405  ?   ?       ?      ? 
1 1 1    5   12   85 o   51.524   17.140   28.159   13.998   28.159   13.998   0.0000   0.0000   51.524   17.140  ?   ?       ?      ? 
1 1 1    5   13    0 o  202.464   4.6650  277.807   12.777  273.848   17.502  282.325   18.695  200.927   6.4278  204.001   6.7625 -3.074387 9.329965 
1 1 1    5   13    1 o  174.881   4.7171  207.492   11.159  207.816   15.334  207.128   16.269  175.033   6.4649  174.730   6.8710 0.3028870 9.434261 
1 1 1    5   13    2 o  287.360   5.9776  563.557   22.386  549.623   36.911  571.665   28.156  284.457   9.5754  290.264   7.1580 -5.806549 11.95515 
1 1 1    5   13    3 o  188.959   5.7141  243.732   13.716  246.357   16.753  238.398   23.887  190.570   6.4871  187.348   9.4086 3.222595 11.42820 
1 1 1    5   13    4 o  155.251   6.2177  164.708   11.685  166.011   13.754  161.329   22.149  156.437   6.4881  154.065   10.609 2.371658 12.43550 
1 1 1    5   13    5 o  232.717   6.0147  374.797   17.461  386.635   21.119  349.222   31.041  238.734   6.5279  226.701   10.104 12.03360 12.02940 
1 1 1    5   13    6 o  389.779   6.9798  1023.93   34.208  1010.18   41.160  1054.63   61.513  385.780   7.8733  393.779   11.527 -7.999695 13.95952 
1 1 1    5   13    7 o  268.732   6.1399  499.020   20.718  514.305   25.184  467.019   36.441  275.326   6.7499  262.137   10.258 13.18869 12.27988 
1 1 1    5   13    8 o  142.622   6.6606  138.005   12.873  138.005   12.873   0.0000   0.0000  142.622   6.6606  ?   ?       ?      ? 
1 1 1    5   13    9 o  229.637   6.5294  357.761   20.319  357.761   20.319   0.0000   0.0000  229.637   6.5294  ?   ?       ?      ? 
1 1 1    5   13   10 o  313.076   6.2906  647.376   24.551  620.703   29.153  712.413   45.523  302.431   7.1134  323.720   10.377 -21.28864 12.58127 
1 1 1    5   13   11 o  204.294   5.7359  281.647   14.731  278.789   17.733  288.007   26.457  202.711   6.4556  205.878   9.4830 -3.167542 11.47176 
1 1 1    5   13   12 o  188.388   5.8876  241.591   13.756  242.465   16.442  239.551   25.116  189.042   6.4182  187.733   9.8724 1.309479 11.77528 
1 1 1    5   13   13 o  245.891   5.6099  406.721   15.717  403.539   17.871  417.587   33.021  243.925   5.4063  247.858   9.8312 -3.933289 11.21970 
1 1 1    5   13   14 o  165.346   5.5803  184.322   10.417  183.272   11.806  188.013   22.136  164.386   5.2996  166.305   9.8222 -1.919525 11.16065 
1 1 1    5   13   15 o  232.928   5.6072  369.068   14.881  369.616   16.959  367.233   31.023  233.443   5.3608  232.412   9.8500 1.030609 11.21436 
1 1 1    5   13   16 o  316.730   6.1391  706.183   22.581  731.304   26.194  633.505   44.554  328.324   5.8873  305.137   10.775 23.18716 12.27823 
1 1 1    5   13   17 o  308.416   5.9853  652.518   21.314  658.388   24.482  634.133   43.326  311.526   5.7991  305.305   10.472 6.220703 11.97062 
1 1 1    5   13   18 o  230.344   5.5627  359.579   14.655  358.911   16.715  361.798   30.470  230.027   5.3621  230.660   9.7479 -0.6328430 11.12539 
1 1 1    5   13   19 o  162.177   5.5590  179.598   10.303  180.431   11.768  176.858   21.329  163.094   5.3243  161.260   9.7602 1.833969 11.11796 
1 1 1    5   13   20 o  155.350   5.8323  162.717   11.417  160.606   13.763  167.373   20.443  153.824   6.6025  156.876   9.6160 -3.052597 11.66452 
1 1 1    5   13   21 o  235.186   5.8205  370.585   17.234  361.976   20.710  389.969   31.075  230.924   6.6181  239.449   9.5768 -8.524857 11.64108 
1 1 1    5   13   22 o  184.824   5.7399  228.756   13.401  223.077   16.146  241.331   24.025  181.280   6.5726  188.368   9.4119 -7.088196 11.47973 
1 1 1    5   13   23 o  220.142   5.7971  327.859   16.156  325.214   19.579  333.502   28.598  218.872   6.6012  221.413   9.5314 -2.540634 11.59411 
1 1 1    5   13   24 o  162.439   5.8159  174.837   11.961  167.242   14.383  191.867   21.537  156.944   6.7627  167.934   9.4640 -10.99039 11.63189 
1 1 1    5   13   25 o  163.357   5.9071  184.627   12.149  190.505   14.808  172.522   21.250  167.510   6.5235  159.204   9.8497 8.306274 11.81412 
1 1 1    5   13   26 f  176.655   5.7183  208.385   12.833  201.732   15.517  222.784   22.827  172.363   6.6433  180.947   9.3094 -8.583740 11.43670 
1 1 1    5   13   27 o  213.635   5.8029  306.664   15.701  300.312   18.979  320.439   27.947  210.294   6.6597  216.975   9.5049 -6.682053 11.60579 
1 1 1    5   13   28 o  219.033   5.8931  328.948   16.395  334.189   20.053  318.379   28.473  221.829   6.6707  216.238   9.7168 5.590912 11.78620 
1 1 1    5   13   29 o  131.958   6.1376  116.547   10.372  112.797   12.640  124.275   18.146  128.843   7.2394  135.074   9.9133 -6.230759 12.27523 
1 1 1    5   13   30 o  157.856   5.5348  167.144   10.154  165.044   11.636  173.850   20.792  155.940   5.5064  159.771   9.6029 -3.831665 11.06965 
1 1 1    5   13   31 o  185.471   5.3667  224.538   11.556  216.337   13.164  252.076   24.124  178.533   5.4412  192.408   9.2521 -13.87434 10.73349 
1 1 1    5   13   32 o  194.185   5.4416  254.151   12.259  252.076   14.052  260.764   25.082  192.715   5.3808  195.656   9.4600 -2.941238 10.88323 
1 1 1    5   13   33 o  190.460   5.5524  251.401   12.272  255.980   14.164  237.614   24.578  194.196   5.3824  186.725   9.7131 7.470825 11.10471 
1 1 1    5   13   34 o  233.233   5.4589  352.639   14.747  337.712   16.761  403.776   31.024  223.035   5.5457  243.430   9.4045 -20.39587 10.91788 
1 1 1    5   13   35 o   90.835   7.0806   60.199   7.3886   64.322   8.6156   48.737   14.365   97.296   6.5344   84.374   12.563 12.92127 14.16118 
1 1 1    5   13   36 o  123.002   5.9354  102.758   9.8934  102.758   9.8934   0.0000   0.0000  123.002   5.9354  ?   ?       ?      ? 
1 1 1    5   13   38 o  174.257   4.7378  206.506   11.161  225.231   15.923  188.420   15.649  182.046   6.4545  166.468   6.9372 15.57838 9.475562 
1 1 1    5   13   39 o  138.541   6.8966  130.107   12.895  121.767   17.302  140.526   19.339  133.600   9.5565  143.482   9.9462 -9.881744 13.79322 
1 1 1    5   13   40 o  219.264   4.7533  326.692   14.119  337.425   20.242  316.522   19.704  222.771   6.7051  215.757   6.7391 7.014145 9.506516 
1 1 1    5   13   41 o  136.441   5.0243  126.518   9.2844  132.514   13.354  120.909   12.917  139.570   7.0607  133.312   7.1500 6.258621 10.04869 
1 1 1    5   13   42 o  172.500   4.8031  202.466   11.222  195.982   15.909  208.889   15.833  169.737   6.9164  175.262   6.6664 -5.524582 9.606111 
1 1 1    5   13   43 o   94.298   5.8606   60.550   7.3674   76.058   10.765   46.885   10.105  105.696   7.5155   82.900   8.9948 22.79593 11.72129 
1 1 1    5   13   44 o   52.445   8.3993   19.529   6.0729   12.359   8.6436   26.519   8.5341   42.609   13.414   62.281   10.112 -19.67193 16.79858 
1 1 1    5   13   45 o   80.184   6.2951   44.029   6.8043   38.860   9.6220   49.200   9.6236   75.427   9.4136   84.942   8.3605 -9.515434 12.59024 
1 1 1    5   13   46 o  187.563   4.7082  239.351   11.966  235.284   16.831  243.507   17.015  185.950   6.6795  189.177   6.6371 -3.226685 9.416317 
1 1 1    5   13   47 o   98.166   7.3135   69.262   8.9146   75.347   10.938   57.221   15.386  105.142   7.6765   91.190   12.451 13.95178 14.62706 
1 1 1    5   13   48 o  221.584   9.7401  336.035   29.247   0.0000   0.0000  336.035   29.247  ?   ?   221.584   9.7401      ?      ? 
1 1 1    5   13   49 o  160.100   6.0901  174.242   12.363  177.654   21.817  172.629   15.004  161.017   9.9987  159.183   6.9557 1.833908 12.18018 
1 1 1    5   13   50 o   95.454   6.1963   64.175   7.7097   44.971   11.048   82.405   10.764   80.974   10.068  109.934   7.2253 -28.96062 12.39256 
1 1 1    5   13   51 o  103.743   5.6327   73.222   7.8809   83.996   11.522   63.749   10.803  110.917   7.6655   96.570   8.2553 14.34735 11.26544 
1 1 1    5   13   52 f  181.469   4.8171  224.563   11.844  226.091   16.925  223.096   16.580  182.065   6.8599  180.872   6.7644 1.193436 9.634135 
1 1 1    5   13   53 o  121.724   5.3335  101.498   8.7636   91.093   12.372  111.975   12.415  115.396   7.9119  128.052   7.1544 -12.65563 10.66695 
1 1 1    5   13   54 o   39.562   9.3613   9.7840   6.0474   14.302   8.9301   5.9566   8.2188   44.994   13.540   34.130   12.931 10.86441 18.72268 
1 1 1    5   13   55 o   83.542   8.7357   48.630   9.8706   48.098   14.364   49.106   13.587   83.033   12.765   84.052   11.929 -1.019058 17.47137 
1 1 1    5   13   56 o   83.275   7.7279   48.282   8.1734   47.556   14.227   48.640   9.9858   82.462   12.731   84.089   8.7632 -1.626915 15.45586 
1 1 1    5   13   57 o   82.095   6.5512   47.431   7.0521   33.875   9.9580   61.069   9.9883   69.874   10.517   94.315   7.8151 -24.44025 13.10238 
1 1 1    5   13   58 o   54.433   8.3372   21.452   5.9658   22.123   8.6768   20.850   8.2158   55.220   11.943   53.646   11.636 1.574093 16.67431 
1 1 1    5   13   59 f  100.374   5.5408   69.354   7.5302   69.330   10.873   69.375   10.438  100.325   7.9979  100.423   7.6704 -0.9838867E-01 11.08161 
1 1 1    5   13   60 o   65.584   7.4345   30.855   6.3547   25.968   9.1957   35.323   8.7916   59.800   11.767   71.368   9.0904 -11.56866 14.86904 
1 1 1    5   13   61 o   96.783   5.6659   64.628   7.4230   68.905   10.728   60.700   10.282   99.870   7.9268   93.696   8.0978 6.173958 11.33174 
1 1 1    5   13   62 o   69.251   6.9407   33.476   6.4659   39.227   9.4053   28.322   8.9038   74.999   9.2541   63.502   10.347 11.49702 13.88138 
1 1 1    5   13   63 o   54.676   8.4224   22.052   6.0599   22.298   8.7515   21.826   8.3993   54.920   12.087   54.431   11.733 0.4889183 16.84477 
1 1 1    5   13   64 o  107.352   6.9288   82.063   9.2500   78.647   16.568   83.610   11.149  104.869   11.658  109.835   7.4908 -4.965416 13.85753 
1 1 1    5   13   65 o   58.811   9.8005   26.041   7.2474   26.689   13.090   25.754   8.7032   58.460   16.039   59.161   11.267 -0.7009697 19.60099 
1 1 1    5   13   66 o   65.522   9.2400   32.685   7.4951   30.016   13.207   33.952   9.1030   61.820   15.727   69.225   9.7038 -7.404503 18.48009 
1 1 1    5   13   67 o   75.552   9.4469   42.926   9.4138   47.897   13.333   37.985   13.293   80.987   12.149   70.118   14.470 10.86885 18.89377 
1 1 1    5   13   68 o   61.513   10.554   29.950   8.8200   23.368   12.420   36.647   12.528   54.098   15.893   68.929   13.892 -14.83131 21.10836 
1 1 1    5   13   69 o   74.226   10.102   42.854   9.7857   41.696   13.534   44.123   14.166   73.241   14.148   75.211   14.424 -1.970505 20.20413 
1 1 1    5   13   70 o   96.038   8.2147   67.950   10.682   68.474   14.846   67.388   15.380   96.603   11.341   95.474   11.888 1.129128 16.42948 
1 1 1    5   13   71 o   55.193   11.080   24.560   8.8200   18.612   12.039   31.452   12.958   48.206   15.889   62.180   15.447 -13.97415 22.16045 
1 1 1    5   13   72 o   53.130   11.397   23.118   8.9127   20.128   11.994   26.806   13.319   49.661   15.820   56.600   16.410 -6.938538 22.79371 
1 1 1    5   13   73 o   51.271   16.875   22.062   13.582   0.0000   0.0000   22.062   13.582  ?   ?    51.271   16.875      ?      ? 
1 1 1    5   13   74 o   35.058   14.918   4.2641   12.416   0.0000   0.0000   4.2641   12.416  ?   ?    35.058   14.918      ?      ? 
1 1 1    5   13   75 o   43.837   10.401   14.757   8.4019   24.044   10.926   1.3219   13.143   53.992   14.588   33.682   14.831 20.30993 20.80295 
1 1 1    5   13   76 o   45.510   11.227   17.086   8.4677   17.298   11.145   16.796   13.024   45.733   15.296   45.286   16.439 0.4470978 22.45448 
1 1 1    5   13   77 f   68.549   10.423   38.033   9.7130   24.662   12.903   55.519   14.755   52.940   16.345   84.157   12.938 -31.21644 20.84576 
1 1 1    5   13   78 o   61.436   11.120   31.693   9.6455   19.897   12.644   48.112   14.918   47.552   16.291   75.320   15.141 -27.76827 22.24008 
1 1 1    5   13   79 o   44.206   10.483   11.356   8.9469  -4.4917   11.777   32.987   13.759   28.191   13.046   60.220   16.412 -32.02892 20.96513 
1 1 1    5   13   80 o   44.430   11.605   17.365   9.2966   13.135   12.554   22.503   13.834   40.218   15.783   48.643   17.019 -8.425220 23.21092 
1 1 1    5   13   81 o   36.327   10.803   8.6953   9.0326   9.3958   12.323   7.8819   13.279   36.626   15.174   36.028   15.382 0.5980072 21.60652 
1 1 1    5   13   82 o   44.385   11.693   19.342   9.4157   19.638   12.813   18.995   13.883   44.819   16.300   43.950   16.769 0.8688202 23.38551 
1 1 1    5   13   83 o   29.373   9.5691  -1.3624   8.8205  -4.7577   12.080   2.5148   12.909   27.221   12.798   31.524   14.229 -4.303114 19.13823 
1 1 1    5   14    0 o  331.341   6.3790  734.855   26.744  715.437   32.259  777.536   47.827  324.618   7.3333  338.064   10.440 -13.44626 12.75798 
1 1 1    5   14    1 o  271.871   6.0890  514.138   21.047  539.265   26.007  466.440   35.831  281.868   6.8085  261.873   10.097 19.99573 12.17792 
1 1 1    5   14    2 o  201.708   4.7874  275.740   13.052  270.678   17.759  281.686   19.248  199.708   6.5619  203.708   6.9727 -3.999222 9.574786 
1 1 1    5   14    3 o  272.999   4.9576  505.941   18.324  506.259   25.390  505.595   26.473  273.099   6.8605  272.899   7.1586 0.2008362 9.915198 
1 1 1    5   14    4 o  236.009   4.7969  378.365   15.322  384.568   21.242  371.637   22.122  238.039   6.5852  233.979   6.9768 4.059967 9.593775 
1 1 1    5   14    5 o  225.246   4.7943  344.429   14.615  345.294   20.170  343.474   21.206  225.554   6.5988  224.938   6.9568 0.6163330 9.588564 
1 1 1    5   14    6 o  303.445   5.1321  624.196   21.076  607.023   28.930  643.618   30.766  299.015   7.1396  307.875   7.3743 -8.860565 10.26419 
1 1 1    5   14    7 o  281.865   6.0930  548.454   22.396  506.768   36.309  574.054   28.454  272.960   9.8159  290.771   7.2212 -17.81094 12.18602 
1 1 1    5   14    8 o  335.201   7.4443  764.112   33.756  828.763   48.469  703.217   47.039  348.998   10.248  321.404   10.800 27.59402 14.88867 
1 1 1    5   14    9 o  242.832   4.9260  396.398   16.113  365.783   21.403  436.450   24.480  232.127   6.8040  253.537   7.1251 -21.41031 9.852012 
1 1 1    5   14   10 o  245.544   4.8496  408.663   16.106  399.421   22.002  419.333   23.640  242.569   6.6934  248.519   7.0195 -5.949875 9.699251 
1 1 1    5   14   11 o  154.055   4.8840  160.604   10.160  155.277   13.711  167.091   15.130  151.240   6.6901  156.869   7.1175 -5.628571 9.768099 
1 1 1    5   14   12 o  169.327   6.0075  192.058   12.558  188.178   14.875  201.687   23.434  166.496   6.5927  172.157   10.045 -5.661118 12.01510 
1 1 1    5   14   13 o  294.623   5.9586  588.925   20.052  588.026   22.860  591.926   41.752  294.381   5.7305  294.865   10.449 -0.4837036 11.91720 
1 1 1    5   14   14 o  259.158   5.8020  462.164   17.140  467.160   19.586  445.824   35.420  262.399   5.5080  255.916   10.213 6.483200 11.60398 
1 1 1    5   14   15 o  187.778   5.5780  238.326   11.832  237.305   13.419  241.891   25.087  187.025   5.2945  188.531   9.8195 -1.505310 11.15592 
1 1 1    5   14   16 o  210.270   5.5200  291.684   13.152  284.799   14.865  316.490   28.215  204.882   5.3541  215.657   9.6547 -10.77568 11.03994 
1 1 1    5   14   17 o  225.820   5.6368  347.341   14.474  347.994   16.484  345.144   30.244  226.471   5.3713  225.171   9.9117 1.300049 11.27357 
1 1 1    5   14   18 o  157.383   5.8052  174.332   10.281  179.409   11.745  157.682   21.268  162.609   5.3298  152.157   10.315 10.45192 11.61034 
1 1 1    5   14   19 o  229.698   5.6473  361.509   14.827  364.037   16.946  353.254   30.621  231.623   5.3990  227.774   9.9206 3.848953 11.29458 
1 1 1    5   14   20 o  234.445   5.7926  391.700   15.596  409.415   18.051  339.544   30.973  245.629   5.4230  223.260   10.238 22.36884 11.58518 
1 1 1    5   14   21 o  303.649   5.9286  620.083   20.786  613.850   23.763  640.389   42.893  300.724   5.8311  306.574   10.324 -5.850128 11.85726 
1 1 1    5   14   22 o  281.431   6.1401  533.593   21.827  524.595   26.346  553.284   38.975  277.885   6.9963  284.978   10.092 -7.093018 12.28013 
1 1 1    5   14   23 o  269.651   6.1454  495.948   20.933  498.135   25.401  491.321   36.956  270.784   6.9221  268.517   10.156 2.266663 12.29075 
1 1 1    5   14   24 o  234.138   5.9358  369.547   17.567  363.686   21.222  382.303   31.310  231.379   6.7684  236.896   9.7531 -5.517731 11.87159 
1 1 1    5   14   25 o  220.761   5.6499  335.836   14.315  339.822   16.412  323.155   29.272  223.758   5.4126  217.764   9.9192 5.993515 11.29982 
1 1 1    5   14   26 o  208.200   5.6489  298.931   13.477  302.626   15.442  287.119   27.607  211.153   5.3966  205.247   9.9256 5.906845 11.29777 
1 1 1    5   14   27 o  126.710   6.1255  111.134   8.7785  112.695   10.008  105.926   18.279  128.836   5.7324  124.584   10.827 4.252121 12.25092 
1 1 1    5   14   28 o  167.931   5.7383  197.395   11.104  202.695   12.805  181.330   22.296  172.796   5.4686  163.066   10.090 9.730148 11.47656 
1 1 1    5   14   29 o  240.018   5.7386  400.734   15.919  409.131   18.352  375.221   31.990  245.485   5.5168  234.552   10.064 10.93269 11.47723 
1 1 1    5   14   30 o  194.736   5.5524  252.781   12.457  248.222   14.200  268.005   25.949  191.209   5.4804  198.263   9.6581 -7.054321 11.10470 
1 1 1    5   14   31 o   95.753   6.6954   62.315   8.6878   62.315   8.6878   0.0000   0.0000   95.753   6.6954  ?   ?       ?      ? 
1 1 1    5   14   32 o  110.708   6.2133   83.271   9.3214   83.271   9.3214   0.0000   0.0000  110.708   6.2133  ?   ?       ?      ? 
1 1 1    5   14   33 o  168.933   5.7299  193.164   11.166  192.145   12.776  196.458   22.981  168.206   5.6049  169.661   9.9956 -1.454681 11.45976 
1 1 1    5   14   34 o   60.412   11.025   25.535   9.0219   21.950   11.808   30.563   13.984   55.556   15.230   65.268   15.947 -9.712086 22.05096 
1 1 1    5   14   35 o  260.643   6.2025  461.993   20.604  459.975   25.154  466.108   35.918  260.039   7.1381  261.247   10.146 -1.207153 12.40502 
1 1 1    5   14   36 o  130.539   6.1447  113.910   9.4295  111.711   10.851  120.693   19.058  128.204   6.2457  132.875   10.584 -4.671249 12.28935 
1 1 1    5   14   37 o  164.537   6.0795  195.921   11.618  208.445   13.595  162.014   22.370  175.162   5.7275  153.912   10.726 21.24950 12.15896 
1 1 1    5   14   38 o  134.255   5.8944  118.648   9.4970  114.102   11.004  131.920   18.801  129.556   6.2677  138.954   9.9846 -9.398376 11.78885 
1 1 1    5   14   39 o  137.026   5.9626  126.926   9.6029  125.851   11.078  130.174   19.261  136.075   6.0076  137.977   10.301 -1.902390 11.92519 
1 1 1    5   14   40 o  194.372   5.6397  255.791   12.781  254.212   14.694  260.697   25.906  193.426   5.6060  195.319   9.7876 -1.893280 11.27941 
1 1 1    5   14   41 o  179.352   5.9474  218.254   13.489  216.264   16.330  222.527   23.931  178.279   6.7594  180.426   9.7876 -2.146881 11.89480 
1 1 1    5   14   42 o  181.555   4.7707  224.314   11.737  227.027   16.651  221.635   16.547  182.649   6.7273  180.462   6.7663 2.186752 9.541462 
1 1 1    5   14   43 o  154.620   5.9634  154.042   11.800  137.546   14.191  190.993   21.240  142.088   7.3702  167.152   9.3769 -25.06313 11.92672 
1 1 1    5   14   44 o   98.612   8.3785   66.675   11.173   69.899   16.456   63.916   15.220  100.793   12.048   96.431   11.647 4.361710 16.75699 
1 1 1    5   14   45 o  128.811   7.5534  113.608   13.158  124.220   19.070  103.964   18.180  134.574   10.457  123.048   10.903 11.52549 15.10672 
1 1 1    5   14   46 o  132.236   5.1542  119.710   9.1990  110.846   13.262  127.929   12.771  127.454   7.6783  137.019   6.8778 -9.564606 10.30831 
1 1 1    5   14   47 o  116.622   5.3479   93.521   8.3841   81.933   12.050  104.392   11.673  109.503   8.1208  123.741   6.9610 -14.23802 10.69588 
1 1 1    5   14   48 o  110.012   5.5129   82.327   8.1893   92.793   11.988   73.169   11.214  116.562   7.5891  103.461   7.9983 13.10192 11.02575 
1 1 1    5   14   49 o  120.055   5.3331   98.989   8.6215   87.045   12.273  110.624   12.113  112.802   8.0291  127.308   7.0215 -14.50650 10.66620 
1 1 1    5   14   50 o  119.151   5.4403   98.060   8.6310   76.837   12.145  119.713   12.268  105.880   8.4646  132.423   6.8364 -26.54318 10.88053 
1 1 1    5   14   51 o  122.130   6.3398  105.009   10.019  112.201   12.701   93.162   16.302  128.085   7.3173  116.175   10.355 11.91033 12.67950 
1 1 1    5   14   52 o   74.937   9.4120   40.036   9.3128   38.253   13.599   41.612   12.780   72.589   14.333   77.284   12.203 -4.694855 18.82400 
1 1 1    5   14   53 o  100.818   6.7299   66.665   8.6574   80.591   15.613   60.483   10.403  107.800   10.688   93.836   8.1811 13.96381 13.45972 
1 1 1    5   14   54 o   77.144   7.5685   37.185   7.4739   55.926   13.559   29.007   8.9574   89.610   11.166   64.678   10.220 24.93191 15.13701 
1 1 1    5   14   55 o   49.479   8.2762   17.824   6.0046   7.4534   8.6634   27.412   8.3300   36.080   13.357   62.877   9.7763 -26.79655 16.55240 
1 1 1    5   14   56 o   98.141   5.7173   66.106   7.5662   75.935   11.068   57.483   10.367  105.023   7.7769   91.259   8.3827 13.76370 11.43464 
1 1 1    5   14   57 o  108.501   5.4969   81.286   8.0695   77.371   11.531   85.044   11.297  105.873   8.0368  111.130   7.5015 -5.257416 10.99376 
1 1 1    5   14   58 f  103.622   5.5671   74.580   7.7687   66.291   11.117   82.491   10.860   97.830   8.3857  109.414   7.3247 -11.58344 11.13426 
1 1 1    5   14   59 o   37.226   9.0582   8.6559   5.6728   13.057   8.4146   4.9891   7.6808   42.523   13.211   31.929   12.397 10.59319 18.11648 
1 1 1    5   14   60 o   60.232   7.9043   26.593   6.1829   38.829   8.9864   15.595   8.5200   74.602   8.8890   45.862   13.073 28.74002 15.80856 
1 1 1    5   14   61 o   52.955   10.060   19.220   6.9354   28.000   12.725   15.510   8.2719   60.284   15.493   45.627   12.838 14.65741 20.12065 
1 1 1    5   14   62 o   45.370   9.3797   16.342   6.7745   4.3830   11.702   22.369   8.3082   35.782   14.803   54.957   11.524 -19.17503 18.75949 
1 1 1    5   14   63 o   51.078   10.119   19.219   6.9943   23.160   12.041   17.212   8.5927   54.480   15.545   47.676   12.960 6.804840 20.23852 
1 1 1    5   14   64 o   67.608   8.8619   35.189   7.4636   30.087   12.507   38.010   9.3014   61.977   15.043   73.239   9.3718 -11.26179 17.72386 
1 1 1    5   14   65 o   28.587   8.8563  -0.3944   6.2598   0.1816   10.659  -0.6977   7.7340   31.030   13.517   26.143   11.447 4.887583 17.71267 
1 1 1    5   14   66 o   57.939   15.332   26.863   12.225   26.863   12.225   0.0000   0.0000   57.939   15.332  ?   ?       ?      ? 
1 1 1    5   14   67 o   63.381   15.224   32.231   12.912   32.231   12.912   0.0000   0.0000   63.381   15.224  ?   ?       ?      ? 
1 1 1    5   14   68 o   38.201   10.624   8.5852   8.1457   11.183   11.221   5.6907   11.844   40.364   15.150   36.039   14.899 4.324810 21.24839 
1 1 1    5   14   69 o   87.043   8.6562   56.723   10.207   58.792   14.609   54.750   14.266   88.647   12.161   85.438   12.322 3.208183 17.31247 
1 1 1    5   14   70 o   35.746   10.368   5.9861   8.0719   3.5462   11.256   8.5690   11.581   33.586   14.245   37.907   15.069 -4.320847 20.73617 
1 1 1    5   14   71 o   48.324   10.483   15.433   8.6234   2.2400   11.271   34.061   13.393   32.548   14.038   64.100   15.572 -31.55257 20.96540 
1 1 1    5   14   72 o   33.950   14.652   2.9426   12.293   0.0000   0.0000   2.9426   12.293  ?   ?    33.950   14.652      ?      ? 
1 1 1    5   14   73 o   63.351   16.328   34.480   14.106   0.0000   0.0000   34.480   14.106  ?   ?    63.351   16.328      ?      ? 
1 1 1    5   14   74 o   36.161   10.387   7.4776   7.9165   6.2184   10.571   9.0856   11.946   34.464   14.143   37.858   15.218 -3.394680 20.77481 
1 1 1    5   14   75 o   29.600   8.9995  -2.8228   7.5580   9.3596   10.130 -18.1225   11.352   36.758   14.246   22.443   11.000 14.31541 17.99892 
1 1 1    5   14   76 f   32.888   9.8553   0.7362   8.0627  -8.3080   10.632   12.975   12.368   25.043   11.845   40.733   15.754 -15.69074 19.71050 
1 1 1    5   14   77 o   55.917   10.495   25.861   9.3456   8.7206   12.501   47.578   14.071   36.919   15.288   74.915   14.383 -37.99680 20.99067 
1 1 1    5   14   78 o   51.088   11.714   24.837   9.2566   24.661   12.602   25.043   13.641   51.227   16.206   50.949   16.919 0.2786903 23.42802 
1 1 1    5   14   79 o   46.815   11.565   21.263   9.2480   25.310   12.638   16.598   13.568   51.190   16.232   42.439   16.477 8.751125 23.12951 
1 1 1    5   14   80 o   32.210   10.090   3.3245   8.8755   7.6807   12.352  -1.3260   12.762   34.700   14.825   29.720   13.692 4.980221 20.18084 
1 1 1    5   14   81 o   48.066   11.538   23.074   9.8051   11.308   13.452   36.409   14.321   37.006   15.627   59.125   16.980 -22.11877 23.07648 
1 1 1    5   15    0 o  337.429   5.3379  773.620   24.389  773.721   33.827  773.510   35.196  337.471   7.3969  337.387   7.6980 0.8343506E-01 10.67583 
1 1 1    5   15    1 o  247.736   4.8937  414.508   16.374  389.295   22.084  445.292   24.403  239.425   6.8066  256.047   7.0329 -16.62152 9.787337 
1 1 1    5   15    2 o  107.329   5.6475   80.229   8.0085   95.134   10.950   63.088   11.743  118.357   6.8272   96.301   8.9982 22.05578 11.29503 
1 1 1    5   15    3 f   93.425   6.0594   61.243   7.4187   74.787   10.147   45.689   10.874  104.927   7.1363   81.922   9.7949 23.00551 12.11887 
1 1 1    5   15    4 o  115.213   5.3261   91.018   8.2355   98.609   11.220   82.153   12.126  120.495   6.8715  109.931   8.1396 10.56449 10.65230 
1 1 1    5   15    5 o  188.085   4.7899  240.439   12.185  243.585   16.788  236.936   17.715  189.401   6.5407  186.769   6.9994 2.631607 9.579738 
1 1 1    5   15    6 o  192.713   4.8310  250.301   12.566  230.087   16.884  275.398   18.813  184.063   6.7691  201.363   6.8945 -17.30075 9.662054 
1 1 1    5   15    7 o  296.921   5.1271  599.479   20.609  627.480   29.051  571.111   29.241  303.928   7.0536  289.913   7.4429 14.01453 10.25429 
1 1 1    5   15    8 o  261.679   4.9616  464.807   17.572  458.594   24.179  471.762   25.581  259.841   6.8667  263.517   7.1636 -3.675812 9.923132 
1 1 1    5   15    9 o  196.145   4.8206  261.195   12.776  259.762   17.398  262.872   18.824  195.579   6.5642  196.711   7.0614 -1.132233 9.641195 
1 1 1    5   15   10 f  238.147   4.8843  383.606   15.721  363.395   21.309  407.747   23.289  231.303   6.7984  244.992   7.0147 -13.68951 9.768576 
1 1 1    5   15   11 o  346.434   5.4369  815.123   25.485  880.627   36.590  753.413   35.515  359.967   7.5010  332.902   7.8725 27.06479 10.87387 
1 1 1    5   15   12 o  188.251   6.9128  241.986   17.514  246.981   23.570  235.829   26.169  190.488   9.1308  186.014   10.382 4.473740 13.82567 
1 1 1    5   15   13 o  102.751   7.3457   71.750   10.228   71.750   10.228   0.0000   0.0000  102.751   7.3457  ?   ?       ?      ? 
1 1 1    5   15   14 o  155.896   5.4529  164.950   11.520  164.950   11.520   0.0000   0.0000  155.896   5.4529  ?   ?       ?      ? 
1 1 1    5   15   15 f  258.111   6.1685  454.943   19.857  457.421   23.849  449.343   35.854  259.483   6.7824  256.739   10.305 2.743835 12.33699 
1 1 1    5   15   16 o  240.517   6.0723  394.655   18.247  396.261   21.937  391.048   32.872  241.515   6.7026  239.519   10.127 1.996460 12.14456 
1 1 1    5   15   17 o  155.080   6.1409  163.329   11.791  162.809   14.054  164.566   21.671  154.804   6.6991  155.355   10.294 -0.5511932 12.28176 
1 1 1    5   15   18 o  143.789   5.8919  139.634   9.5776  138.790   10.861  142.586   20.310  142.984   5.6053  144.594   10.365 -1.609467 11.78374 
1 1 1    5   15   19 o  186.298   5.8081  244.154   12.222  251.113   13.981  221.604   25.169  192.341   5.3638  180.255   10.304 12.08531 11.61620 
1 1 1    5   15   20 o  208.875   5.6410  292.199   13.451  288.343   15.290  305.405   28.294  206.095   5.4746  211.656   9.8648 -5.560684 11.28206 
1 1 1    5   15   21 o  114.273   6.4660   91.844   8.2785   94.245   9.4343   83.804   17.262  117.805   5.9097  110.741   11.503 7.063637 12.93198 
1 1 1    5   15   22 o  163.640   5.7409  182.899   10.713  183.478   12.220  180.978   22.265  164.394   5.4853  162.886   10.087 1.507645 11.48185 
1 1 1    5   15   23 o  149.322   5.6741  145.376   9.7147  140.147   11.007  163.805   20.665  143.664   5.6537  154.979   9.8396 -11.31526 11.34821 
1 1 1    5   15   24 o   91.659   6.9340   56.737   7.3012   56.243   8.3319   58.373   15.155   90.965   6.7591   92.352   12.109 -1.386604 13.86796 
1 1 1    5   15   25 o   69.577   8.7192   34.469   6.6556   35.040   7.5699   32.525   13.970   71.760   7.7845   67.394   15.605 4.365242 17.43845 
1 1 1    5   15   26 o  142.437   5.7001  137.788   11.002  137.788   11.002   0.0000   0.0000  142.437   5.7001  ?   ?       ?      ? 
1 1 1    5   15   27 o  123.537   6.0276  103.684   10.091  103.684   10.091   0.0000   0.0000  123.537   6.0276  ?   ?       ?      ? 
1 1 1    5   15   28 o   78.768   7.4250   37.174   7.0081   32.083   7.9895   54.161   14.594   68.620   8.5918   88.915   12.112 -20.29482 14.84995 
1 1 1    5   15   29 o   71.822   10.370   37.652   9.8801   50.122   13.619   23.795   14.356   85.553   11.747   58.092   17.092 27.46082 20.73965 
1 1 1    5   15   30 o  169.045   6.2197  195.325   13.407  196.355   16.416  193.263   23.233  169.892   7.1303  168.198   10.193 1.694046 12.43944 
1 1 1    5   15   31 o   67.794   9.2414   32.683   7.2884   33.238   8.4687   31.099   14.312   69.813   8.9516   65.776   16.170 4.037086 18.48280 
1 1 1    5   15   32 o   55.889   9.6336   24.060   7.0654   27.910   8.3392   14.265   13.301   63.935   9.6250   47.842   16.691 16.09327 19.26730 
1 1 1    5   15   33 o  175.655   5.7781  210.112   11.801  209.984   13.569  210.509   23.915  175.800   5.6955  175.510   10.055 0.2901611 11.55612 
1 1 1    5   15   34 o  137.913   6.0504  127.290   9.6724  125.108   11.061  134.380   19.941  135.669   6.0161  140.156   10.499 -4.486450 12.10073 
1 1 1    5   15   35 o  180.694   6.2973  229.001   14.452  242.277   17.894  204.097   24.507  188.680   6.9984  172.708   10.471 15.97226 12.59465 
1 1 1    5   15   36 o  130.233   6.1767  114.818   9.3735  113.946   10.770  117.543   19.032  129.454   6.1395  131.013   10.720 -1.559494 12.35340 
1 1 1    5   15   37 o   58.375   9.6663   20.373   6.7224   16.023   7.6841   34.560   13.878   47.394   11.963   69.357   15.186 -21.96294 19.33252 
1 1 1    5   15   38 o   65.551   9.2056   26.001   7.6590   17.743   9.1414   45.450   14.029   49.862   13.288   81.240   12.743 -31.37855 18.41111 
1 1 1    5   15   39 o  151.256   10.182  156.708   20.870   0.0000   0.0000  156.708   20.870  ?   ?   151.256   10.182      ?      ? 
1 1 1    5   15   40 o  147.504   7.2066  149.190   14.391  157.197   20.391  141.244   20.312  151.491   9.9329  143.517   10.444 7.974380 14.41321 
1 1 1    5   15   41 o   45.015   11.519   11.451   9.0678   15.728   13.595   8.0236   12.170   49.247   16.892   40.784   15.667 8.462887 23.03897 
1 1 1    5   15   42 o   67.841   9.2485   38.568   7.3393   46.518   8.7467   19.652   13.492   82.546   7.8193   53.137   16.763 29.40891 18.49708 
1 1 1    5   15   43 o   81.739   7.3321   39.793   7.4145   31.977   8.6006   62.413   14.632   68.309   9.2911   95.169   11.345 -26.85998 14.66420 
1 1 1    5   15   44 o   77.898   7.5249   37.744   7.3192   32.206   8.5733   52.630   14.056   68.531   9.2316   87.265   11.886 -18.73367 15.04978 
1 1 1    5   15   45 o   99.894   7.1721   72.505   8.4385   77.146   9.9504   60.619   15.924  106.319   6.9063   93.470   12.572 12.84898 14.34423 
1 1 1    5   15   46 f   44.872   10.562   13.368   7.1976   13.392   8.7276   13.315   12.726   43.732   13.433   46.012   16.304 -2.279449 21.12474 
1 1 1    5   15   47 o   87.686   6.9057   52.486   8.0498   50.572   10.339   55.432   12.828   85.799   8.8923   89.574   10.568 -3.775002 13.81133 
1 1 1    5   15   48 o   97.554   6.7781   66.437   8.7070   69.533   11.232   61.775   13.784  100.658   8.2341   94.451   10.769 6.206451 13.55617 
1 1 1    5   15   49 f   46.621   10.148   13.840   6.6856   20.923   12.014   10.663   8.0466   53.612   15.597   39.630   12.986 13.98275 20.29593 
1 1 1    5   15   50 o   49.463   10.065   17.409   6.7736   18.292   12.072   17.003   8.1833   50.555   15.843   48.371   12.420 2.184647 20.13075 
1 1 1    5   15   51 o  116.906   6.4665   95.936   9.5764   90.100   16.542   98.878   11.745  113.756   10.731  120.055   7.2190 -6.298241 12.93307 
1 1 1    5   15   52 o  109.343   5.4814   82.916   8.0458   71.132   11.506   94.192   11.255  101.543   8.3613  117.143   7.0902 -15.59942 10.96283 
1 1 1    5   15   53 o   92.045   5.8899   59.147   7.2648   51.704   10.597   65.747   9.9786   86.363   9.0549   97.728   7.5347 -11.36450 11.77981 
1 1 1    5   15   54 o  116.319   7.6683   93.323   12.087   93.323   12.087   0.0000   0.0000  116.319   7.6683  ?   ?       ?      ? 
1 1 1    5   15   55 o   76.251   6.5357   40.291   6.6918   48.365   9.8346   33.330   9.1318   83.447   8.6969   69.055   9.7584 14.39251 13.07142 
1 1 1    5   15   56 o   58.031   8.1915   24.706   6.2006   23.939   9.0940   25.373   8.4765   56.978   12.149   59.084   10.991 -2.105690 16.38295 
1 1 1    5   15   57 o   40.322   9.6963   11.636   6.4893   3.4868   12.249   14.815   7.6513   35.923   15.026   44.721   12.260 -8.798424 19.39251 
1 1 1    5   15   58 o   53.876   10.209   20.650   7.0564   26.283   13.235   18.413   8.3407   58.144   16.196   49.608   12.432 8.535168 20.41735 
1 1 1    5   15   59 o   60.779   9.2797   25.497   7.0489   36.031   12.662   20.766   8.4853   68.887   14.040   52.670   12.138 16.21734 18.55940 
1 1 1    5   15   60 o   50.413   9.8753   19.877   6.8124   16.989   11.967   21.262   8.2863   47.520   15.850   53.305   11.784 -5.784374 19.75065 
1 1 1    5   15   61 o   45.660   15.849   15.418   11.986   15.418   11.986   0.0000   0.0000   45.660   15.849  ?   ?       ?      ? 
1 1 1    5   15   62 o   28.437   8.8593  -0.6373   6.1481  -0.0505   11.185  -0.8913   7.3598   31.522   13.785   25.351   11.132 6.171564 17.71866 
1 1 1    5   15   63 o   42.339   10.632   11.578   8.2456   3.1141   11.540   20.407   11.786   34.037   14.429   50.642   15.619 -16.60489 21.26396 
1 1 1    5   15   64 f   70.619   14.529   39.300   13.440   39.300   13.440   0.0000   0.0000   70.619   14.529  ?   ?       ?      ? 
1 1 1    5   15   65 o   75.421   14.007   44.502   13.788   44.502   13.788   0.0000   0.0000   75.421   14.007  ?   ?       ?      ? 
1 1 1    5   15   66 o   52.926   11.300   23.071   8.7935   24.582   12.567   21.621   12.309   54.532   15.977   51.320   15.984 3.212387 22.59968 
1 1 1    5   15   67 o   59.076   11.062   29.062   9.0837   24.597   13.098   33.200   12.609   54.143   16.421   64.009   14.827 -9.865677 22.12480 
1 1 1    5   15   68 o   41.819   10.987   12.875   8.3381   11.151   12.032   14.467   11.566   40.325   15.555   43.314   15.522 -2.988201 21.97448 
1 1 1    5   15   69 o   33.847   10.091   4.2954   7.9028   5.0253   10.681   3.4128   11.747   33.938   14.099   33.757   14.441 0.1814346 20.18255 
1 1 1    5   15   70 o   40.225   10.602   11.331   8.1891   17.353   11.120   4.1939   12.105   45.958   15.276   34.492   14.705 11.46549 21.20388 
1 1 1    5   15   71 o   33.635   14.497   3.3690   12.003   0.0000   0.0000   3.3690   12.003  ?   ?    33.635   14.497      ?      ? 
1 1 1    5   15   72 o   41.581   11.004   13.539   8.4988   16.456   11.375   9.8518   12.787   44.412   15.438   38.749   15.685 5.663639 22.00797 
1 1 1    5   15   73 o   89.425   8.8546   62.234   10.672   54.952   14.316   71.341   16.010   83.464   12.658   95.386   12.386 -11.92190 17.70930 
1 1 1    5   15   74 o   45.046   11.109   16.744   8.6672   9.5046   11.664   25.668   12.951   37.203   15.008   52.889   16.383 -15.68677 22.21761 
1 1 1    5   15   75 o   33.003   10.092   3.9160   8.4427   7.9378   11.526  -0.7403   12.402   35.491   14.687   30.515   13.844 4.976122 20.18312 
1 1 1    5   15   76 o   45.162   11.478   18.373   9.0241   12.970   11.935   25.587   13.789   39.410   15.411   50.915   17.014 -11.50425 22.95604 
1 1 1    5   15   77 o   39.698   10.690   10.967   8.7704  -0.1171   11.768   24.817   13.154   29.607   13.453   49.788   16.618 -20.18054 21.38060 
1 1 1    5   15   78 o   29.763   9.6094  -0.0849   8.6965   2.9960   11.970  -3.5290   12.656   31.165   13.913   28.361   13.259 2.804577 19.21884 
1 1 1    5   15   79 o   43.901   9.8977   9.1957   9.3149 -15.9343   12.389   41.878   14.128   23.227   11.406   64.576   16.179 -41.34877 19.79534 
1 1 1    5   16    0 o  193.224   4.8917  254.024   12.763  257.507   17.395  249.964   18.783  194.686   6.5933  191.762   7.2279 2.924545 9.783373 
1 1 1    5   16    1 o  288.238   5.1426  564.118   20.055  553.783   27.491  575.876   29.322  285.440   7.1070  291.035   7.4348 -5.595245 10.28524 
1 1 1    5   16    2 o  213.487   4.9271  308.330   14.209  293.001   19.185  326.956   21.147  207.650   6.8177  219.324   7.1150 -11.67400 9.854159 
1 1 1    5   16    3 o  236.755   4.9774  381.343   15.936  387.238   21.940  374.758   23.185  238.720   6.7820  234.790   7.2871 3.930222 9.954729 
1 1 1    5   16    4 o  186.569   4.9657  234.156   12.490  208.545   16.733  266.379   18.768  175.165   7.0491  197.973   6.9958 -22.80853 9.931334 
1 1 1    5   16    5 o  213.657   6.1388  316.195   16.964  291.779   28.005  330.348   21.322  206.864   9.9899  220.451   7.1372 -13.58644 12.27756 
1 1 1    5   16    6 o  225.491   7.1809  345.648   21.943   0.0000   0.0000  345.648   21.943  ?   ?   225.491   7.1809      ?      ? 
1 1 1    5   16    7 o  165.316   7.3584  185.820   16.485   0.0000   0.0000  185.820   16.485  ?   ?   165.316   7.3584      ?      ? 
1 1 1    5   16    8 o  165.587   7.3162  186.427   16.417   0.0000   0.0000  186.427   16.417  ?   ?   165.587   7.3162      ?      ? 
1 1 1    5   16    9 o  145.165   7.5970  143.322   14.945   0.0000   0.0000  143.322   14.945  ?   ?   145.165   7.5970      ?      ? 
1 1 1    5   16   10 o  127.792   6.6330  111.796   11.022  109.494   18.282  113.110   13.815  126.647   10.652  128.937   7.9066 -2.290131 13.26607 
1 1 1    5   16   11 o  144.274   5.1798  141.385   10.111  138.885   13.868  144.223   14.775  142.925   7.1602  145.622   7.4869 -2.697723 10.35963 
1 1 1    5   16   12 o  136.984   6.4594  123.161   10.987  116.658   12.979  139.601   20.637  130.978   7.3125  142.991   10.650 -12.01306 12.91881 
1 1 1    5   16   13 o  201.320   5.7036  263.068   12.850  253.809   14.417  298.841   28.340  193.342   5.5028  209.297   9.9921 -15.95430 11.40712 
1 1 1    5   16   14 o  159.356   6.2295  183.176   10.793  190.866   12.222  155.936   23.002  167.669   5.3791  151.043   11.238 16.62607 12.45910 
1 1 1    5   16   15 o  100.654   8.7170   85.415   8.2765   95.565   9.3533   48.793   17.767  118.619   5.8187   82.689   16.434 35.93037 17.43396 
1 1 1    5   16   16 o  160.400   6.1283  182.117   10.844  187.461   12.298  163.434   22.994  166.156   5.4618  154.644   10.972 11.51242 12.25659 
1 1 1    5   16   17 o  125.254   6.6293  111.185   9.1912  114.524   10.439   99.665   19.389  129.842   5.9326  120.666   11.857 9.176010 13.25860 
1 1 1    5   16   18 o  198.689   6.4101  275.760   15.540  285.104   18.520  253.526   28.568  204.792   6.6735  192.585   10.946 12.20656 12.82017 
1 1 1    5   16   19 o  194.791   5.6387  257.706   14.884  257.706   14.884   0.0000   0.0000  194.791   5.6387  ?   ?       ?      ? 
1 1 1    5   16   20 o  152.799   5.7323  158.592   11.869  158.592   11.869   0.0000   0.0000  152.799   5.7323  ?   ?       ?      ? 
1 1 1    5   16   21 o  144.518   5.8486  141.888   11.454  141.888   11.454   0.0000   0.0000  144.518   5.8486  ?   ?       ?      ? 
1 1 1    5   16   22 o  263.279   6.1357  491.698   18.529  510.241   21.392  435.998   37.076  274.058   5.7601  252.500   10.835 21.55797 12.27135 
1 1 1    5   16   23 o  195.687   5.8544  248.844   13.175  238.829   14.935  283.993   27.979  187.484   5.8784  203.890   10.126 -16.40547 11.70885 
1 1 1    5   16   24 o  209.724   7.2157  301.804   20.336  349.054   28.930  255.645   28.594  226.147   9.4399  193.301   10.916 32.84621 14.43138 
1 1 1    5   16   25 o  290.926   6.2120  588.556   21.040  599.973   24.333  554.731   41.884  297.118   6.0436  284.735   10.855 12.38309 12.42394 
1 1 1    5   16   26 o  130.983   6.2821  112.626   9.5190  108.799   10.834  125.582   19.934  126.503   6.3199  135.463   10.859 -8.960030 12.56410 
1 1 1    5   16   27 o   93.202   7.2511   60.343   7.8375   61.269   9.0393   57.540   15.731   94.889   7.0298   91.515   12.684 3.373123 14.50218 
1 1 1    5   16   28 o  169.451   6.1506  196.444   13.035  197.388   15.690  194.340   23.420  170.331   6.7976  168.572   10.252 1.759415 12.30119 
1 1 1    5   16   29 o  111.024   7.2080   90.787   9.7314  102.041   11.911   68.197   16.876  122.431   7.1793   99.617   12.501 22.81470 14.41594 
1 1 1    5   16   30 o  161.013   6.0447  170.316   12.257  160.042   14.624  194.573   22.471  153.332   7.0380  168.695   9.8295 -15.36327 12.08935 
1 1 1    5   16   31 f  192.682   6.0243  247.017   14.543  237.344   17.350  269.871   26.668  186.734   6.8563  198.629   9.9077 -11.89458 12.04870 
1 1 1    5   16   32 o  157.400   6.2741  165.038   12.376  158.640   14.769  180.119   22.677  152.623   7.1408  162.178   10.318 -9.554657 12.54826 
1 1 1    5   16   33 o  162.021   6.3340  182.274   12.821  187.198   15.512  171.659   22.776  165.804   6.9040  158.238   10.621 7.565628 12.66794 
1 1 1    5   16   34 o  110.447   7.2011   84.649   10.000   86.545   12.150   80.667   17.609  112.629   7.9606  108.265   12.002 4.363907 14.40220 
1 1 1    5   16   35 o  155.971   6.5725  171.713   13.026  183.389   16.191  150.283   21.934  164.021   7.2843  147.922   10.942 16.09929 13.14504 
1 1 1    5   16   36 o  111.305   7.3022   86.229   10.484   89.237   13.103   80.880   17.476  114.272   8.4618  108.339   11.903 5.932243 14.60442 
1 1 1    5   16   37 o  107.261   6.7289   74.963   8.6240   70.944   9.9394   87.207   17.347  101.991   7.1914  112.531   11.375 -10.53996 13.45778 
1 1 1    5   16   38 o   85.575   8.4173   47.654   9.4752   37.791   11.843   65.193   15.793   73.993   11.811   97.156   11.995 -23.16297 16.83453 
1 1 1    5   16   39 f  132.281   6.3942  123.812   9.8575  127.863   11.452  112.230   19.365  137.000   6.1686  127.563   11.202 9.436783 12.78845 
1 1 1    5   16   40 o   55.118   9.7706   22.669   6.9120   24.619   8.0475   17.183   13.497   59.832   9.9253   50.404   16.833 9.427780 19.54125 
1 1 1    5   16   41 o  129.581   6.5050  119.945   9.7611  124.699   11.330  106.259   19.223  135.243   6.1823  123.920   11.447 11.32238 13.01009 
1 1 1    5   16   42 o  139.074   6.2532  130.772   10.093  128.873   11.560  136.859   20.702  137.455   6.2060  140.693   10.858 -3.237549 12.50636 
1 1 1    5   16   43 o   40.190   12.745   11.145   7.7914   11.145   7.7914   0.0000   0.0000   40.190   12.745  ?   ?       ?      ? 
1 1 1    5   16   44 o  176.792   6.2395  218.378   12.668  221.480   14.547  208.646   25.768  180.163   5.9584  173.421   10.965 6.741302 12.47906 
1 1 1    5   16   45 o  144.846   6.6633  146.760   12.433  151.436   15.510  138.355   20.797  148.562   7.7039  141.129   10.874 7.433197 13.32660 
1 1 1    5   16   46 o   91.177   8.1564   59.839   9.4340   63.885   11.725   52.408   15.888   96.215   8.9925   86.140   13.610 10.07454 16.31283 
1 1 1    5   16   47 o   35.486   9.6565   5.4035   7.0404   10.963   8.9667  -3.5340   11.369   40.465   13.719   30.507   13.593 9.958395 19.31301 
1 1 1    5   16   48 o   65.898   9.0481   34.741   6.9896   39.259   8.2891   23.626   13.002   75.464   8.1057   56.331   16.179 19.13219 18.09615 
1 1 1    5   16   49 o   41.753   9.9088   10.770   6.2244   8.4531   7.4603   16.079   11.292   36.050   12.504   47.455   15.375 -11.40464 19.81767 
1 1 1    5   16   50 o   75.950   8.9506   47.761   7.5442   55.403   8.9781   29.401   13.915   89.673   7.3882   62.228   16.305 27.44577 17.90114 
1 1 1    5   16   51 o   70.574   8.8058   38.761   7.2725   42.697   8.7204   29.771   13.179   78.509   8.1967   62.639   15.588 15.86990 17.61170 
1 1 1    5   16   52 o   54.563   9.8464   21.523   7.1270   18.702   8.9666   26.363   11.745   50.104   13.069   59.022   14.731 -8.918091 19.69284 
1 1 1    5   16   53 o   52.556   9.0901   24.214   6.8830   5.2525   13.385   31.031   8.0254   38.447   15.862   66.664   8.8837 -28.21672 18.18020 
1 1 1    5   16   54 o   88.806   7.9050   56.923   8.3755   54.554   16.003   57.816   9.8292   86.433   13.663   91.180   7.9549 -4.747101 15.80991 
1 1 1    5   16   55 o   67.099   9.3091   32.752   7.4292   34.924   14.300   31.949   8.6946   66.888   15.993   67.310   9.5321 -0.4216614 18.61812 
1 1 1    5   16   56 o   54.245   9.9173   21.558   6.7415   24.895   13.017   20.335   7.8808   56.235   16.199   52.255   11.446 3.979660 19.83462 
1 1 1    5   16   57 o   51.353   9.1707   13.078   6.5848   40.072   13.009   3.7792   7.6352   72.535   13.738   30.172   12.152 42.36269 18.34139 
1 1 1    5   16   58 o   50.015   9.8017   20.761   6.8957   12.494   12.929   24.047   8.1519   43.126   16.247   56.904   10.969 -13.77779 19.60346 
1 1 1    5   16   59 o   72.941   9.5966   40.765   9.1767   37.946   13.771   43.016   12.307   69.312   15.090   76.570   11.861 -7.257195 19.19325 
1 1 1    5   16   60 o   60.528   9.4417   28.359   9.0563   4.3197   12.769   52.694   12.847   36.099   15.234   84.956   11.159 -48.85708 18.88332 
1 1 1    5   16   61 o   53.602   11.021   23.255   8.6660   17.735   12.260   28.767   12.251   47.439   16.042   59.766   15.116 -12.32681 22.04210 
1 1 1    5   16   62 o   43.977   15.623   14.668   11.694   14.668   11.694   0.0000   0.0000   43.977   15.623  ?   ?       ?      ? 
1 1 1    5   16   63 o   30.392   13.424  -0.4698   10.850  -0.4698   10.850   0.0000   0.0000   30.392   13.424  ?   ?       ?      ? 
1 1 1    5   16   64 o   40.025   10.529   10.542   7.9686   16.850   11.348   4.4051   11.193   45.910   15.434   34.140   14.327 11.76997 21.05886 
1 1 1    5   16   65 o   45.261   10.752   15.718   8.2843   23.551   11.709   7.8670   11.723   53.269   15.369   37.252   15.039 16.01702 21.50313 
1 1 1    5   16   66 o   31.538   9.6657   1.0857   7.7677   5.2982   10.959  -3.1671   11.011   34.389   14.284   28.688   13.026 5.701628 19.33145 
1 1 1    5   16   67 o   30.800   9.5870   0.5247   7.7616   1.5455   10.541  -0.6841   11.471   31.000   13.473   30.600   13.643 0.3992519 19.17409 
1 1 1    5   16   68 o   28.305   8.7599  -7.0839   7.4075 -22.3764   10.388   8.7356   10.566   19.920   9.9015   36.691   14.454 -16.77032 17.51985 
1 1 1    5   16   69 o   51.677   16.291   23.564   12.745   0.0000   0.0000   23.564   12.745  ?   ?    51.677   16.291      ?      ? 
1 1 1    5   16   70 f   39.666   15.506   11.775   12.080   0.0000   0.0000   11.775   12.080  ?   ?    39.666   15.506      ?      ? 
1 1 1    5   16   71 o   34.648   10.252   6.3242   8.1844   9.2625   10.940   2.5898   12.334   36.609   14.617   32.686   14.380 3.923462 20.50449 
1 1 1    5   16   72 o   28.455   9.2430  -3.5394   8.1625  -7.3535   11.133   0.8948   12.003   25.836   12.190   31.073   13.898 -5.237215 18.48598 
1 1 1    5   16   73 o   35.263   10.515   7.4630   8.5967   5.2707   11.806   9.9377   12.543   33.363   14.379   37.162   15.345 -3.799591 21.02909 
1 1 1    5   16   74 o   44.540   11.417   18.955   8.8685   16.619   12.030   21.736   13.125   42.254   15.720   46.826   16.561 -4.571983 22.83422 
1 1 1    5   16   75 o   45.413   11.295   19.495   9.0156   11.303   12.098   29.725   13.520   37.040   15.157   53.786   16.751 -16.74576 22.59085 
1 1 1    5   16   76 o   32.374   10.143   4.9888   8.8907   7.3837   12.078   2.1559   13.136   33.605   14.513   31.143   14.174 2.462181 20.28647 
1 1 1    5   17    0 o  124.443   7.3341  109.573   10.731  113.788   12.539   98.035   20.745  129.340   7.1538  119.546   12.806 9.793457 14.66828 
1 1 1    5   17    1 o  138.116   6.8657  131.887   11.345  133.899   13.292  126.491   21.768  140.317   6.9905  135.915   11.819 4.402222 13.73130 
1 1 1    5   17    2 o   87.148   6.8685   52.915   7.8732   57.267   10.250   46.653   12.295   91.697   8.2490   82.600   10.985 9.097298 13.73705 
1 1 1    5   17    3 o   54.554   9.4056   21.618   6.8683   24.002   8.9848   18.266   10.654   58.184   11.799   50.923   14.651 7.260689 18.81129 
1 1 1    5   17    4 o   66.283   8.2331   29.712   7.1534   24.721   9.2869   36.994   11.217   59.032   12.018   73.534   11.257 -14.50199 16.46623 
1 1 1    5   17    5 o   54.267   9.4995   21.046   6.8886   21.377   9.0323   20.585   10.650   54.774   12.451   53.761   14.351 1.012859 18.99896 
1 1 1    5   17    6 f   25.280   8.1211  -5.9935   5.9989  -8.8762   7.8083  -1.8412   9.3715   21.598   10.196   28.963   12.643 -7.365324 16.24216 
1 1 1    5   17    7 o  111.427   5.7918   85.155   8.6699   90.200   11.744   79.113   12.853  115.125   7.5276  107.730   8.8042 7.394592 11.58360 
1 1 1    5   17    8 o  148.411   5.2882  148.817   10.596  136.677   14.272  163.728   15.818  141.720   7.4314  155.103   7.5255 -13.38297 10.57640 
1 1 1    5   17    9 f  151.498   5.3033  154.882   10.841  140.774   14.558  172.442   16.242  143.822   7.4697  159.174   7.5300 -15.35123 10.60652 
1 1 1    5   17   10 o  130.299   5.6219  114.551   9.8803  103.825   13.237  128.044   14.846  123.478   7.9109  137.119   7.9899 -13.64083 11.24370 
1 1 1    5   17   11 o  166.719   6.3826  183.936   13.376  175.131   15.972  204.613   24.476  160.421   7.3469  173.017   10.439 -12.59633 12.76527 
1 1 1    5   17   12 o  217.249   7.0591  321.090   20.782  321.090   20.782   0.0000   0.0000  217.249   7.0591  ?   ?       ?      ? 
1 1 1    5   17   13 o  177.893   5.7399  215.005   13.837  215.005   13.837   0.0000   0.0000  177.893   5.7399  ?   ?       ?      ? 
1 1 1    5   17   14 o  131.147   6.2204  116.913   11.055  116.913   11.055   0.0000   0.0000  131.147   6.2204  ?   ?       ?      ? 
1 1 1    5   17   15 o  130.040   6.9637  122.063   9.9123  127.174   11.252  104.359   20.943  136.788   6.0704  123.291   12.535 13.49713 13.92737 
1 1 1    5   17   16 o  246.982   6.1335  427.025   17.136  436.595   19.584  395.766   35.396  253.491   5.7012  240.475   10.862 13.01610 12.26708 
1 1 1    5   17   17 o  232.451   6.0949  373.887   15.925  378.324   18.102  358.699   33.492  235.969   5.6611  228.934   10.795 7.034622 12.18976 
1 1 1    5   17   18 o  106.644   7.3039   76.356   8.6006   75.341   9.6512   80.270   18.955  105.237   6.7676  108.050   12.946 -2.813324 14.60777 
1 1 1    5   17   19 o  110.574   8.3116   83.273   12.389   78.417   16.528   89.501   18.716  106.960   11.403  114.188   12.095 -7.228012 16.62312 
1 1 1    5   17   20 o  114.810   6.9431   92.592   8.9359   94.666   10.177   85.615   18.670  117.983   6.3654  111.637   12.341 6.345985 13.88613 
1 1 1    5   17   21 o  104.597   7.9427   84.538   8.6693   91.485   9.8215   60.028   18.447  115.988   6.2486   93.205   14.605 22.78278 15.88545 
1 1 1    5   17   22 o   87.585   7.6870   47.547   7.6418   43.858   8.5557   62.100   16.993   80.218   7.8704   94.951   13.207 -14.73302 15.37398 
1 1 1    5   17   23 o  103.927   8.0492   77.504   9.9734   81.825   11.804   66.721   18.646  109.555   7.9507   98.299   13.998 11.25634 16.09831 
1 1 1    5   17   24 o   56.612   12.916   22.936   9.6897   22.936   9.6897   0.0000   0.0000   56.612   12.916  ?   ?       ?      ? 
1 1 1    5   17   25 o  110.632   6.5528   83.297   9.8241   83.297   9.8241   0.0000   0.0000  110.632   6.5528  ?   ?       ?      ? 
1 1 1    5   17   26 o  145.882   6.3920  152.091   10.493  157.933   12.023  133.419   21.495  152.398   5.8216  139.367   11.381 13.03059 12.78397 
1 1 1    5   17   27 o   62.191   9.5095   26.864   6.9899   26.531   8.0549   27.878   14.066   62.264   9.5465   62.118   16.450 0.1451721 19.01909 
1 1 1    5   17   28 o   71.023   8.9826   35.283   7.2058   35.127   8.2637   35.778   14.719   71.706   8.5043   70.340   15.825 1.365829 17.96510 
1 1 1    5   17   29 o   71.218   9.4938   37.973   7.4324   39.855   8.4757   31.709   15.463   76.390   8.1875   66.045   17.132 10.34557 18.98756 
1 1 1    5   17   30 o  106.060   7.2396   73.352   9.9192   65.386   12.055   90.053   17.455   97.733   9.1019  114.387   11.261 -16.65407 14.47924 
1 1 1    5   17   31 o   91.307   7.8422   55.105   9.3324   49.637   11.483   65.741   16.015   85.042   9.9645   97.573   12.112 -12.53074 15.68445 
1 1 1    5   17   32 o   60.397   9.8185   23.798   7.0642   21.026   8.1412   32.247   14.212   54.238   11.437   66.556   15.963 -12.31774 19.63702 
1 1 1    5   17   33 o   42.092   9.8330   12.458   6.6455   16.008   7.6330   1.3421   13.509   47.220   11.926   36.965   15.638 10.25514 19.66601 
1 1 1    5   17   34 o  112.631   6.7531   89.177   8.7930   91.166   10.149   83.188   17.608  115.626   6.4772  109.636   11.852 5.990440 13.50620 
1 1 1    5   17   35 o  141.530   6.3201  142.669   10.304  147.831   11.920  127.408   20.497  147.286   5.9721  135.775   11.140 11.51091 12.64011 
1 1 1    5   17   36 o   73.621   9.3419   41.891   7.6785   45.355   8.9189   31.969   15.093   81.363   8.0891   65.879   16.842 15.48373 18.68371 
1 1 1    5   17   37 o   71.170   8.5477   28.907   7.2793   20.753   8.3493   54.746   14.862   53.671   11.801   88.668   12.369 -34.99714 17.09535 
1 1 1    5   17   38 o   45.020   14.240   14.157   9.7312   14.157   9.7312   0.0000   0.0000   45.020   14.240  ?   ?       ?      ? 
1 1 1    5   17   39 o   81.634   10.133   46.102   11.210   46.102   11.210   0.0000   0.0000   81.634   10.133  ?   ?       ?      ? 
1 1 1    5   17   40 o   45.085   10.927   13.334   7.7619   12.908   9.5694   14.155   13.271   43.305   14.161   46.865   16.645 -3.559387 21.85328 
1 1 1    5   17   41 o   49.007   9.9412   18.311   7.5651   25.162   9.4675   6.2110   12.582   58.907   12.259   39.106   15.653 19.80066 19.88232 
1 1 1    5   17   42 o   79.186   8.0536   44.685   7.4471   45.039   8.7597   43.764   14.144   80.892   7.9910   77.480   13.985 3.411804 16.10729 
1 1 1    5   17   43 o  126.338   6.2420  108.372   9.3531  106.261   10.821  114.609   18.599  124.554   6.4109  128.123   10.712 -3.568657 12.48403 
1 1 1    5   17   44 o   92.657   7.1698   59.452   8.0100   58.957   9.3835   60.782   15.378   92.548   7.4819   92.765   12.233 -0.2163467 14.33958 
1 1 1    5   17   45 o   46.035   9.8444   15.461   6.4116   16.102   7.7157   14.031   11.525   46.851   12.076   45.220   15.550 1.630680 19.68890 
1 1 1    5   17   46 o   54.716   9.3379   23.634   6.7164   27.006   8.0131   15.671   12.315   62.224   9.5029   47.209   16.077 15.01550 18.67589 
1 1 1    5   17   47 o   38.469   9.6682   7.1757   5.9998   3.5173   7.0945   16.364   11.243   29.508   11.774   47.430   15.339 -17.92190 19.33647 
1 1 1    5   17   48 o   41.557   9.8956   10.693   6.1516   8.2298   7.3057   16.694   11.404   35.399   12.369   47.715   15.450 -12.31603 19.79119 
1 1 1    5   17   49 o   55.563   10.238   22.362   7.8220   16.227   10.126   31.442   12.318   46.750   14.487   64.376   14.471 -17.62672 20.47657 
1 1 1    5   17   50 o   38.164   10.319   8.2796   7.3731   7.4806   9.6995   9.3733   11.348   36.520   13.997   39.809   15.168 -3.289192 20.63890 
1 1 1    5   17   51 o   60.593   9.7035   29.633   8.2123   40.260   10.810   15.129   12.629   75.167   10.612   46.019   16.248 29.14848 19.40698 
1 1 1    5   17   52 o   45.816   10.763   15.193   7.7353   12.701   10.088   18.748   12.050   42.173   14.546   49.460   15.868 -7.287216 21.52603 
1 1 1    5   17   53 o   54.963   10.422   24.081   7.9805   27.212   10.395   19.587   12.454   59.722   13.196   50.204   16.134 9.518162 20.84336 
1 1 1    5   17   54 o   69.035   9.5007   37.893   8.4125   44.875   10.956   27.861   13.132   79.113   10.219   58.957   16.020 20.15559 19.00139 
1 1 1    5   17   55 o   41.473   14.084   12.669   9.4503   12.669   9.4503   0.0000   0.0000   41.473   14.084  ?   ?       ?      ? 
1 1 1    5   17   56 o   53.955   13.527   22.733   9.8715   22.733   9.8715   0.0000   0.0000   53.955   13.527  ?   ?       ?      ? 
1 1 1    5   17   57 o   86.037   12.773   55.480   14.892   55.480   14.892   0.0000   0.0000   86.037   12.773  ?   ?       ?      ? 
1 1 1    5   17   58 o   64.216   15.359   33.433   13.185   33.433   13.185   0.0000   0.0000   64.216   15.359  ?   ?       ?      ? 
1 1 1    5   17   59 o   39.566   15.339   10.180   11.746   10.180   11.746   0.0000   0.0000   39.566   15.339  ?   ?       ?      ? 
1 1 1    5   17   60 o   83.165   12.409   52.182   13.985   52.182   13.985   0.0000   0.0000   83.165   12.409  ?   ?       ?      ? 
1 1 1    5   17   61 o   58.729   10.869   28.610   8.8131   32.554   12.443   24.640   12.484   63.223   14.787   54.235   15.934 8.988285 21.73852 
1 1 1    5   17   62 o   52.871   10.333   22.642   8.6615   8.5418   12.311   36.461   12.188   38.144   15.408   67.597   13.773 -29.45333 20.66595 
1 1 1    5   17   63 o   39.672   10.161   8.9650   8.0314  -2.5133   11.231   20.979   11.490   29.283   13.240   50.061   15.419 -20.77801 20.32299 
1 1 1    5   17   64 o   84.408   8.8343   54.851   10.102   53.561   14.098   56.212   14.484   83.405   12.473   85.411   12.514 -2.005379 17.66865 
1 1 1    5   17   65 o   42.486   11.084   14.331   8.4542   15.910   11.846   12.692   12.069   44.009   15.715   40.964   15.634 3.044849 22.16738 
1 1 1    5   17   66 o   21.722   10.645 -17.0871   10.612   0.0000   0.0000 -17.0871   10.612  ?   ?    21.722   10.645      ?      ? 
1 1 1    5   17   67 o   49.841   16.504   22.493   12.984   0.0000   0.0000   22.493   12.984  ?   ?    49.841   16.504      ?      ? 
1 1 1    5   17   68 f   31.317   9.7780   1.0807   8.2740  -3.5708   11.728   5.6904   11.675   28.501   13.129   34.133   14.494 -5.632517 19.55604 
1 1 1    5   17   69 o   43.064   10.526   14.749   8.5370   26.650   11.996   2.5366   12.152   54.017   15.548   32.112   14.194 21.90553 21.05267 
1 1 1    5   17   70 o   49.020   11.592   23.271   9.0936   24.828   12.460   21.497   13.302   50.978   16.112   47.061   16.670 3.916996 23.18350 
1 1 1    5   17   71 o   34.038   10.128   6.3800   8.3217   12.618   11.419  -0.6840   12.152   38.446   15.063   29.630   13.543 8.815805 20.25607 
1 1 1    5   17   72 o   40.586   10.043   10.010   8.6318  -7.9915   11.840   30.431   12.611   25.645   12.235   55.526   15.930 -29.88116 20.08607 
1 1 1    5   18    0 o  220.680   6.1888  331.284   17.153  329.633   20.665  334.941   30.755  220.085   6.9288  221.275   10.257 -1.190598 12.37767 
1 1 1    5   18    1 o  148.215   6.7202  155.662   12.290  164.764   14.867  136.022   21.839  155.586   7.0515  140.845   11.442 14.74062 13.44047 
1 1 1    5   18    2 o  129.623   6.7862  115.752   10.940  117.235   13.138  112.399   19.753  131.210   7.3891  128.037   11.385 3.172852 13.57249 
1 1 1    5   18    3 o  186.249   6.1605  234.886   14.384  231.988   17.274  241.441   25.981  184.630   6.9039  187.868   10.205 -3.237503 12.32098 
1 1 1    5   18    4 o  130.652   6.9634  120.919   11.153  127.373   13.413  106.451   20.080  136.776   7.2364  124.527   11.899 12.24884 13.92674 
1 1 1    5   18    5 o   93.166   6.8389   60.117   8.4392   63.644   11.035   55.150   13.097   96.598   8.4303   89.734   10.771 6.863609 13.67771 
1 1 1    5   18    6 o  197.339   5.1035  265.298   13.575  266.552   18.301  263.765   20.240  197.909   6.8240  196.770   7.5904 1.139267 10.20691 
1 1 1    5   18    7 o  222.332   5.1143  336.842   15.359  339.814   20.947  333.387   22.587  223.440   6.9179  221.223   7.5345 2.216354 10.22865 
1 1 1    5   18    8 o  112.087   6.2717   87.713   9.2942   98.289   12.384   74.076   14.063  120.109   7.6088  104.064   9.9722 16.04430 12.54348 
1 1 1    5   18    9 f  159.996   6.3345  174.679   13.470  175.409   21.248  174.188   17.416  160.156   9.7903  159.837   8.0407 0.3184967 12.66892 
1 1 1    5   18   10 o  191.285   6.5616  254.420   15.356  260.625   18.286  239.582   28.278  195.669   6.8964  186.902   11.165 8.767181 13.12313 
1 1 1    5   18   11 o   83.614   9.0690   44.800   9.2493   40.922   10.732   56.000   18.239   77.313   10.243   89.916   14.969 -12.60322 18.13802 
1 1 1    5   18   12 o  132.891   7.3751  128.475   11.743  138.980   14.049  104.116   21.393  142.840   7.2581  122.941   12.841 19.89832 14.75015 
1 1 1    5   18   13 o  134.050   7.9424  123.210   14.356  122.138   19.327  124.530   21.443  133.481   10.685  134.619   11.754 -1.137238 15.88477 
1 1 1    5   18   14 o   75.263   10.073   44.599   9.1005   52.383   11.089   28.542   15.926   87.528   9.3491   62.998   17.844 24.53040 20.14504 
1 1 1    5   18   15 o   58.586   10.580   19.635   8.1379   11.638   9.5758   40.427   15.441   42.232   14.178   74.940   15.707 -32.70723 21.15972 
1 1 1    5   18   16 o   64.732   10.396   28.155   8.2254   25.385   9.6828   35.337   15.590   59.647   12.384   69.816   16.702 -10.16902 20.79237 
1 1 1    5   18   17 o   96.070   7.9994   62.372   9.5262   60.860   11.313   66.059   17.663   94.364   8.8465   97.777   13.330 -3.413139 15.99871 
1 1 1    5   18   18 o   84.989   8.3690   44.773   8.9670   37.228   10.576   64.072   16.913   73.653   10.596   96.324   12.957 -22.67086 16.73796 
1 1 1    5   18   19 o   55.270   16.949   21.510   13.901   21.510   13.901   0.0000   0.0000   55.270   16.949  ?   ?       ?      ? 
1 1 1    5   18   20 o  103.584   7.3819   69.653   9.5981   63.702   11.374   84.378   17.890   96.522   8.6953  110.646   11.932 -14.12405 14.76388 
1 1 1    5   18   21 o   39.549   10.606   8.1416   7.7536   10.993   9.3442   1.8373   13.893   41.223   14.005   37.874   15.931 3.348530 21.21196 
1 1 1    5   18   22 o  101.844   7.4825   66.440   9.6749   58.461   11.528   85.447   17.793   92.384   9.2083  111.303   11.796 -18.91941 14.96495 
1 1 1    5   18   23 o  156.150   7.6603  167.601   16.198  159.234   22.502  176.599   23.335  152.092   10.918  160.209   10.748 -8.117172 15.32055 
1 1 1    5   18   24 o  138.521   7.9721  132.620   14.889  148.747   21.160  116.807   20.954  147.017   10.621  130.025   11.892 16.99161 15.94416 
1 1 1    5   18   25 o   88.708   9.9631   55.392   11.672   48.923   16.082   62.591   16.965   82.491   14.937   94.924   13.189 -12.43265 19.92614 
1 1 1    5   18   26 o   85.515   9.0255   51.629   9.3832   51.923   11.320   50.984   16.773   86.935   9.6091   84.095   15.281 2.839783 18.05098 
1 1 1    5   18   27 o  131.247   6.9751  119.438   11.481  121.039   13.888  115.984   20.404  133.034   7.7036  129.460   11.630 3.573868 13.95029 
1 1 1    5   18   28 o  101.318   7.8118   68.862   10.103   64.993   12.221   77.214   17.957   97.251   9.2734  105.384   12.574 -8.133133 15.62355 
1 1 1    5   18   29 o   89.324   10.585   57.890   12.156   75.802   17.369   40.692   17.019  104.419   12.275   74.230   17.248 30.18864 21.16993 
1 1 1    5   18   30 o  144.522   11.219  144.755   21.973  144.755   21.973   0.0000   0.0000  144.522   11.219  ?   ?       ?      ? 
1 1 1    5   18   31 o  122.525   7.4712  106.925   11.332  111.988   13.709   96.001   20.137  127.800   7.9155  117.250   12.674 10.55029 14.94244 
1 1 1    5   18   32 o  159.241   6.0662  173.084   13.090  173.084   13.090   0.0000   0.0000  159.241   6.0662  ?   ?       ?      ? 
1 1 1    5   18   33 o  122.766   6.6025  103.062   10.984  103.062   10.984   0.0000   0.0000  122.766   6.6025  ?   ?       ?      ? 
1 1 1    5   18   34 o  133.317   6.2405  121.473   11.274  121.473   11.274   0.0000   0.0000  133.317   6.2405  ?   ?       ?      ? 
1 1 1    5   18   35 o   70.603   8.7759   33.580   7.2847   31.334   8.4414   40.132   14.418   67.327   9.2521   73.878   14.915 -6.550644 17.55183 
1 1 1    5   18   36 o   50.339   10.145   14.538   6.5725   10.053   7.5218   29.019   13.515   38.345   12.555   62.334   15.938 -23.98862 20.28929 
1 1 1    5   18   37 o   95.001   7.3460   64.831   8.0478   66.783   9.3082   59.051   16.016   98.648   6.9630   91.353   12.937 7.294792 14.69207 
1 1 1    5   18   38 o  100.141   7.1009   70.444   8.2953   71.040   9.5886   68.672   16.539  101.706   6.9571   98.575   12.381 3.130478 14.20176 
1 1 1    5   18   39 o   95.321   6.8214   54.561   7.7637   46.222   8.8229   83.168   16.342   81.826   7.9568  108.816   11.082 -26.99014 13.64286 
1 1 1    5   18   40 f   55.637   9.8847   19.035   6.7644   14.154   7.7849   34.079   13.666   44.003   12.480   67.271   15.332 -23.26781 19.76945 
1 1 1    5   18   41 o   47.325   10.160   15.779   6.5088   15.125   7.5816   17.611   12.692   45.340   12.110   49.311   16.317 -3.971039 20.32041 
1 1 1    5   18   42 o   41.657   10.051   11.716   6.3330   11.682   7.4263   11.805   12.126   40.269   12.395   43.046   15.826 -2.777573 20.10190 
1 1 1    5   18   43 o   72.552   8.7228   40.293   7.1057   42.454   8.2721   34.211   13.879   78.255   7.8005   66.850   15.605 11.40454 17.44568 
1 1 1    5   18   44 o   82.005   8.1009   46.756   8.7414   43.112   10.949   53.163   14.517   78.093   10.346   85.917   12.468 -7.823730 16.20186 
1 1 1    5   18   45 o   35.079   9.9957   5.0037   7.1940   3.4500   9.2984   7.3205   11.355   32.229   13.250   37.929   14.970 -5.699986 19.99137 
1 1 1    5   18   46 o   60.433   9.8232   28.975   7.9993   34.490   10.221   20.255   12.851   69.498   10.853   51.369   16.377 18.12827 19.64648 
1 1 1    5   18   47 o   55.807   10.465   23.496   7.8558   21.121   9.9287   27.473   12.846   52.495   13.782   59.120   15.751 -6.625084 20.92906 
1 1 1    5   18   48 o   39.463   10.405   9.9764   7.3687   9.7130   9.5645   10.361   11.558   38.435   14.067   40.492   15.336 -2.056259 20.81029 
1 1 1    5   18   49 o   38.717   10.245   9.5662   7.3720   12.365   9.6101   5.5648   11.491   41.339   14.201   36.095   14.771 5.243942 20.49017 
1 1 1    5   18   50 o   49.411   10.676   18.750   7.7525   16.142   10.178   22.352   11.964   45.837   14.571   52.986   15.608 -7.149155 21.35206 
1 1 1    5   18   51 o   36.702   13.857   8.4971   9.4174   8.4971   9.4174   0.0000   0.0000   36.702   13.857  ?   ?       ?      ? 
1 1 1    5   18   52 o   34.351   13.551   6.3706   9.3006   6.3706   9.3006   0.0000   0.0000   34.351   13.551  ?   ?       ?      ? 
1 1 1    5   18   53 o   37.697   13.721   9.7983   9.0820   9.7983   9.0820   0.0000   0.0000   37.697   13.721  ?   ?       ?      ? 
1 1 1    5   18   54 o   38.726   13.927   10.677   9.3189   10.677   9.3189   0.0000   0.0000   38.726   13.927  ?   ?       ?      ? 
1 1 1    5   18   55 o   77.155   13.993   46.837   14.091   46.837   14.091   0.0000   0.0000   77.155   13.993  ?   ?       ?      ? 
1 1 1    5   18   56 o   95.794   11.580   68.368   15.032   68.368   15.032   0.0000   0.0000   95.794   11.580  ?   ?       ?      ? 
1 1 1    5   18   57 o   51.252   16.030   21.936   12.365   21.936   12.365   0.0000   0.0000   51.252   16.030  ?   ?       ?      ? 
1 1 1    5   18   58 o   56.995   12.815   25.637   9.6576   25.637   9.6576   0.0000   0.0000   56.995   12.815  ?   ?       ?      ? 
1 1 1    5   18   59 o   32.471   12.896   5.8493   8.4749   5.8493   8.4749   0.0000   0.0000   32.471   12.896  ?   ?       ?      ? 
1 1 1    5   18   60 o   60.021   11.995   28.140   9.4155   28.140   9.4155   0.0000   0.0000   60.021   11.995  ?   ?       ?      ? 
1 1 1    5   18   61 o   50.825   13.033   20.935   9.0191   20.935   9.0191   0.0000   0.0000   50.825   13.033  ?   ?       ?      ? 
1 1 1    5   18   62 o   29.783   12.416   3.5818   8.3255   3.5818   8.3255   0.0000   0.0000   29.783   12.416  ?   ?       ?      ? 
1 1 1    5   18   63 o   36.748   13.334   10.268   8.5674   10.268   8.5674   0.0000   0.0000   36.748   13.334  ?   ?       ?      ? 
1 1 1    5   18   65 o   34.555   14.600   6.4700   11.751   0.0000   0.0000   6.4700   11.751  ?   ?    34.555   14.600      ?      ? 
1 1 1    5   18   66 f   37.341   10.010   7.3771   8.3446   21.528   11.617  -7.7062   11.994   48.161   15.594   26.522   12.555 21.63932 20.02005 
1 1 1    5   18   67 o   47.423   11.545   22.044   9.0875   24.602   12.427   19.103   13.324   50.390   16.108   44.456   16.543 5.934067 23.09004 
1 1 1    5   18   68 o   31.108   13.449   4.4505   10.393   4.4505   10.393   0.0000   0.0000   31.108   13.449  ?   ?       ?      ? 
1 1 1    5   19    0 o  204.252   5.1927  284.129   14.311  280.049   19.301  289.110   21.329  202.683   7.0270  205.821   7.6472 -3.137695 10.38550 
1 1 1    5   19    1 o   54.878   10.137   21.114   7.5209   18.367   9.6975   25.260   11.914   50.637   13.769   59.119   14.881 -8.482250 20.27421 
1 1 1    5   19    2 o  109.163   6.3663   82.754   9.2531   89.936   12.354   73.576   13.965  114.758   7.9440  103.567   9.9505 11.19147 12.73261 
1 1 1    5   19    3 o  238.833   5.2083  388.124   16.797  377.828   22.689  400.609   24.985  235.392   7.1128  242.274   7.6102 -6.881653 10.41663 
1 1 1    5   19    4 o  130.785   5.8404  117.821   10.233  124.253   13.721  109.758   15.362  134.937   7.5035  126.632   8.9519 8.304688 11.68073 
1 1 1    5   19    5 o  109.092   6.2171   82.330   9.0255   86.930   11.904   76.112   13.841  112.831   7.7857  105.354   9.6951 7.477036 12.43429 
1 1 1    5   19    6 o   77.594   10.053   42.445   8.9970   42.259   10.415   42.993   17.859   78.487   9.7923   76.701   17.561 1.786461 20.10664 
1 1 1    5   19    7 o  170.674   7.7746  202.407   17.799  220.398   24.280  181.510   26.168  179.181   9.9995  162.167   11.908 17.01343 15.54928 
1 1 1    5   19    8 o  161.922   6.6514  182.396   14.170  167.673   22.414  192.198   18.288  156.145   10.593  167.699   8.0474 -11.55385 13.30279 
1 1 1    5   19    9 o  157.446   5.4854  167.557   11.629  154.223   15.417  185.158   17.713  150.285   7.5701  164.606   7.9406 -14.32091 10.97083 
1 1 1    5   19   10 f  154.020   5.5492  163.535   11.463  175.328   15.518  149.375   17.005  160.297   7.1439  147.744   8.4934 12.55232 11.09837 
1 1 1    5   19   11 o  131.101   5.8633  117.689   10.352  118.554   13.919  116.617   15.487  131.714   7.7980  130.488   8.7581 1.225327 11.72661 
1 1 1    5   19   12 o   65.135   10.291   32.689   7.3840   34.556   8.2168   24.851   16.833   71.043   8.5349   59.228   18.729 11.81549 20.58156 
1 1 1    5   19   13 o   69.273   9.4344   27.255   7.1673   22.225   7.9422   49.321   16.635   55.870   10.881   82.675   15.415 -26.80540 18.86888 
1 1 1    5   19   14 o   76.020   9.3406   40.673   7.4935   40.521   8.3800   41.278   16.740   76.959   8.0353   75.080   16.865 1.878746 18.68111 
1 1 1    5   19   15 o  105.892   7.2447   74.839   8.5146   73.130   9.5551   81.429   18.763  103.519   6.8113  108.266   12.789 -4.746376 14.48937 
1 1 1    5   19   16 o  109.051   7.7468   85.268   10.062   89.202   11.874   75.245   18.952  114.206   7.6724  103.896   13.461 10.31013 15.49366 
1 1 1    5   19   17 o   66.872   10.342   30.312   8.3158   27.619   9.7109   37.714   16.103   62.136   11.967   71.608   16.871 -9.472172 20.68467 
1 1 1    5   19   18 o   75.682   9.6909   40.390   8.6110   39.980   10.066   41.511   16.626   76.207   9.7474   75.157   16.752 1.050209 19.38190 
1 1 1    5   19   19 o   80.007   9.0356   43.645   7.7023   42.490   8.6171   48.234   17.178   78.745   8.0753   81.269   16.167 -2.524712 18.07128 
1 1 1    5   19   20 o  113.019   7.3378   91.574   8.9706   94.005   10.106   82.538   19.482  117.363   6.3541  108.675   13.229 8.688126 14.67554 
1 1 1    5   19   21 o   58.037   9.7745   29.209   7.2027   34.454   8.1258   9.9803   15.559   70.838   8.4648   45.236   17.621 25.60214 19.54902 
1 1 1    5   19   22 o   82.390   8.0096   39.522   7.6708   33.421   8.5975   63.334   16.986   69.677   9.1054   95.102   13.180 -25.42464 16.01921 
1 1 1    5   19   23 f  135.250   6.4622  120.595   9.9522  116.246   11.249  136.258   21.349  130.454   6.3633  140.046   11.249 -9.591553 12.92435 
1 1 1    5   19   24 o   91.388   8.5928   61.659   8.4085   63.877   9.5886   54.275   17.494   96.557   7.3281   86.220   15.545 10.33665 17.18551 
1 1 1    5   19   25 o   75.301   8.8354   38.163   7.5655   36.133   8.6424   44.821   15.651   72.420   8.8063   78.182   15.320 -5.762413 17.67074 
1 1 1    5   19   26 f   92.677   9.3045   59.336   11.686   59.336   11.686   0.0000   0.0000   92.677   9.3045  ?   ?       ?      ? 
1 1 1    5   19   27 o  110.265   6.7075   83.256   10.023   83.256   10.023   0.0000   0.0000  110.265   6.7075  ?   ?       ?      ? 
1 1 1    5   19   28 o   75.537   8.2365   39.309   8.4311   39.309   8.4311   0.0000   0.0000   75.537   8.2365  ?   ?       ?      ? 
1 1 1    5   19   29 o   59.267   9.5027   31.312   7.0973   37.570   8.1109   10.863   14.662   73.839   8.1058   44.695   17.190 29.14443 19.00543 
1 1 1    5   19   30 o   89.748   7.6882   54.899   7.8196   53.740   8.8584   58.991   16.642   88.405   7.3942   91.090   13.482 -2.684929 15.37644 
1 1 1    5   19   31 o   69.576   9.2355   33.342   7.1225   32.027   8.0396   38.140   15.356   68.019   8.7221   71.132   16.282 -3.113426 18.47100 
1 1 1    5   19   32 o   32.566   9.2291   4.2296   6.2255   7.9815   7.0574  -8.9292   13.217   35.051   12.162   30.080   13.885 4.971272 18.45816 
1 1 1    5   19   33 o   51.541   9.9676   20.270   6.6062   21.457   7.5628   16.448   13.571   54.459   10.629   48.623   16.865 5.836288 19.93526 
1 1 1    5   19   34 o   43.347   10.268   11.779   6.3668   10.071   7.3474   16.927   12.756   38.037   12.407   48.657   16.364 -10.62000 20.53580 
1 1 1    5   19   35 o   48.908   13.789   17.799   9.5330   17.799   9.5330   0.0000   0.0000   48.908   13.789  ?   ?       ?      ? 
1 1 1    5   19   36 o   33.314   12.179   6.7008   7.1664   6.7008   7.1664   0.0000   0.0000   33.314   12.179  ?   ?       ?      ? 
1 1 1    5   19   37 f   29.912   8.7916   1.8291   6.1074   6.4542   6.9597 -13.6614   12.737   32.740   11.997   27.083   12.855 5.657812 17.58321 
1 1 1    5   19   38 o   33.194   9.6153   3.0798   6.1397   1.5015   7.1195   7.6595   12.128   27.351   11.449   39.037   15.451 -11.68552 19.23058 
1 1 1    5   19   39 o   84.371   8.1795   50.259   9.0171   48.217   11.257   53.916   15.064   82.576   10.059   86.166   12.901 -3.590019 16.35901 
1 1 1    5   19   40 o   83.577   8.1237   46.856   8.8837   37.254   10.981   65.048   15.114   72.107   11.238   95.048   11.734 -22.94157 16.24735 
1 1 1    5   19   41 o   63.364   9.9582   32.021   8.2737   36.720   10.390   23.878   13.678   71.672   10.698   55.056   16.799 16.61633 19.91639 
1 1 1    5   19   42 o   52.073   10.846   20.715   7.9404   19.564   9.9180   22.768   13.252   50.422   14.012   53.724   16.560 -3.302155 21.69282 
1 1 1    5   19   43 o   46.957   10.446   17.291   7.9015   22.755   10.022   8.3166   12.844   54.316   13.637   39.598   15.828 14.71856 20.89185 
1 1 1    5   19   44 o   76.448   9.0697   40.689   8.8724   29.312   11.087   60.954   14.797   61.645   13.633   91.251   11.966 -29.60606 18.13945 
1 1 1    5   19   45 o   61.617   10.256   29.525   8.2644   28.366   10.563   31.354   13.270   60.704   13.216   62.530   15.687 -1.826065 20.51157 
1 1 1    5   19   46 o   35.610   10.179   6.2208   7.5075   7.1787   9.5603   4.6798   12.126   35.455   13.812   35.765   14.954 -0.3100090 20.35700 
1 1 1    5   19   47 o   47.479   14.117   17.691   9.7508   17.691   9.7508   0.0000   0.0000   47.479   14.117  ?   ?       ?      ? 
1 1 1    5   19   48 o   30.647   12.841   2.8389   8.9698   2.8389   8.9698   0.0000   0.0000   30.647   12.841  ?   ?       ?      ? 
1 1 1    5   19   49 o   41.209   14.017   12.795   9.3608   12.795   9.3608   0.0000   0.0000   41.209   14.017  ?   ?       ?      ? 
1 1 1    5   19   50 o   36.711   15.163   6.3202   12.250   6.3202   12.250   0.0000   0.0000   36.711   15.163  ?   ?       ?      ? 
1 1 1    5   19   51 o   51.367   16.628   22.019   13.209   22.019   13.209   0.0000   0.0000   51.367   16.628  ?   ?       ?      ? 
1 1 1    5   19   52 o   67.318   15.483   37.320   13.830   37.320   13.830   0.0000   0.0000   67.318   15.483  ?   ?       ?      ? 
1 1 1    5   19   53 o   69.630   10.523   35.716   9.9296   35.716   9.9296   0.0000   0.0000   69.630   10.523  ?   ?       ?      ? 
1 1 1    5   19   54 o   49.912   13.358   20.019   9.2134   20.019   9.2134   0.0000   0.0000   49.912   13.358  ?   ?       ?      ? 
1 1 1    5   19   55 o   36.999   13.354   9.9774   8.5767   9.9774   8.5767   0.0000   0.0000   36.999   13.354  ?   ?       ?      ? 
1 1 1    5   19   56 o   40.566   13.645   12.974   8.8693   12.974   8.8693   0.0000   0.0000   40.566   13.645  ?   ?       ?      ? 
1 1 1    5   19   57 o   54.543   12.681   23.902   9.1950   23.902   9.1950   0.0000   0.0000   54.543   12.681  ?   ?       ?      ? 
1 1 1    5   19   58 o   39.674   13.582   12.544   8.7895   12.544   8.7895   0.0000   0.0000   39.674   13.582  ?   ?       ?      ? 
1 1 1    5   19   59 o   30.624   12.673   4.4092   8.5812   4.4092   8.5812   0.0000   0.0000   30.624   12.673  ?   ?       ?      ? 
1 1 1    5   19   60 o   37.044   15.285   8.8721   12.432   8.8721   12.432   0.0000   0.0000   37.044   15.285  ?   ?       ?      ? 
1 1 1    5   19   61 f   42.646   16.185   15.900   12.890   15.900   12.890   0.0000   0.0000   42.646   16.185  ?   ?       ?      ? 
1 1 1    5   19   62 o   20.160   9.7326  -9.7995   8.0088  -9.7995   8.0088   0.0000   0.0000   20.160   9.7326  ?   ?       ?      ? 
1 1 1    5   19   63 o   45.817   13.594   18.541   9.0492   18.541   9.0492   0.0000   0.0000   45.817   13.594  ?   ?       ?      ? 
1 1 1    5   20    0 o   91.176   8.8472   53.727   9.6773   49.291   11.128   67.497   19.604   84.543   9.7128   97.809   14.790 -13.26682 17.69440 
1 1 1    5   20    1 f   49.461   12.219   11.456   10.889  -0.3439   14.125   28.741   17.096   36.425   15.713   62.498   18.717 -26.07292 24.43839 
1 1 1    5   20    2 o   56.737   9.5937   23.454   9.2942  -3.5363   14.344   42.984   12.202   34.802   15.400   78.672   11.445 -43.86995 19.18748 
1 1 1    5   20    3 o  102.902   7.7549   70.062   10.553   90.502   17.374   58.112   13.285  114.197   11.227   91.607   10.701 22.59017 15.50978 
1 1 1    5   20    4 o   53.196   11.690   19.419   9.1330   24.717   14.843   16.191   11.586   58.195   17.443   48.197   15.569 9.998264 23.38095 
1 1 1    5   20    5 o   87.395   9.3885   54.682   10.364   52.524   17.107   55.934   13.027   84.935   15.431   89.855   10.698 -4.919716 18.77706 
1 1 1    5   20    6 o  134.593   7.1959  129.672   12.576  106.024   19.694  145.954   16.342  123.404   11.777  145.782   8.2720 -22.37772 14.39176 
1 1 1    5   20    7 o  101.856   8.0046   72.438   10.828   70.328   16.943   73.896   14.079  100.325   12.463  103.387   10.049 -3.062698 16.00916 
1 1 1    5   20    8 o   84.452   9.6068   53.251   10.169   40.576   15.812   62.192   13.280   74.127   16.194   94.776   10.340 -20.64890 19.21361 
1 1 1    5   20    9 o   93.107   8.2529   57.695   10.177   75.785   16.579   46.758   12.891  104.280   11.732   81.933   11.610 22.34635 16.50583 
1 1 1    5   20   10 o  109.252   6.5029   82.500   9.5902   84.680   13.108   79.988   14.068  110.905   8.7217  107.599   9.6481 3.305969 13.00589 
1 1 1    5   20   11 o   35.053   10.442   2.3174   8.1922   5.3544   9.7451  -5.0001   15.127   35.208   13.877   34.898   15.605 0.3096962 20.88312 
1 1 1    5   20   12 o   52.182   10.926   18.732   7.0519   18.409   7.8284   20.123   16.241   50.407   11.688   53.956   18.463 -3.549255 21.85137 
1 1 1    5   20   13 o   65.427   10.194   32.652   7.3558   33.994   8.2120   27.204   16.545   70.245   8.6267   60.609   18.473 9.635853 20.38797 
1 1 1    5   20   14 o   62.369   9.9943   33.954   7.3110   38.707   8.1921   15.356   16.205   75.024   8.0578   49.714   18.292 25.30959 19.98851 
1 1 1    5   20   15 o   53.033   10.688   18.261   6.7671   16.691   7.5236   24.910   15.484   47.939   11.687   58.126   17.898 -10.18740 21.37612 
1 1 1    5   20   16 o   66.286   10.028   30.573   7.2903   29.775   8.1274   33.858   16.494   65.628   9.1385   66.943   17.853 -1.314339 20.05634 
1 1 1    5   20   17 o   70.248   9.1272   29.402   7.1188   25.027   7.9227   47.739   16.220   60.069   9.7327   80.427   15.443 -20.35783 18.25444 
1 1 1    5   20   18 o   36.312   9.0619   7.8426   6.4469   13.864   7.2936 -13.6673   13.785   43.721   11.963   28.903   13.615 14.81783 18.12387 
1 1 1    5   20   19 o   73.797   8.1258   37.547   8.1261   37.547   8.1261   0.0000   0.0000   73.797   8.1258  ?   ?       ?      ? 
1 1 1    5   20   20 o   60.308   9.5249   25.256   7.7843   25.256   7.7843   0.0000   0.0000   60.308   9.5249  ?   ?       ?      ? 
1 1 1    5   20   21 o   52.974   11.121   20.360   7.7288   20.360   7.7288   0.0000   0.0000   52.974   11.121  ?   ?       ?      ? 
1 1 1    5   20   22 o   65.822   9.9122   33.411   7.3203   34.953   8.2800   27.891   15.664   71.056   8.5991   60.588   17.862 10.46767 19.82435 
1 1 1    5   20   23 o  105.574   7.2380   72.986   8.6033   69.291   9.6572   87.201   18.939  100.357   7.1010  110.790   12.615 -10.43253 14.47609 
1 1 1    5   20   24 o   82.905   8.8401   51.070   7.7908   52.329   8.8380   46.681   16.501   87.111   7.4868   78.699   16.017 8.412224 17.68028 
1 1 1    5   20   25 o   57.303   10.141   21.795   6.8961   19.137   7.8393   30.890   14.501   51.084   11.590   63.522   16.645 -12.43800 20.28286 
1 1 1    5   20   26 o   82.614   8.4123   48.303   7.6156   47.681   8.6513   50.441   16.052   83.053   7.6868   82.175   14.966 0.8775864 16.82455 
1 1 1    5   20   27 o   39.406   9.5854   10.914   6.3483   14.194   7.3418   1.1927   12.638   43.923   11.996   34.890   14.954 9.033165 19.17071 
1 1 1    5   20   28 o   49.893   9.1035   21.093   6.6954   26.850   7.7759   4.5858   13.167   61.972   9.2591   37.813   15.677 24.15960 18.20692 
1 1 1    5   20   29 o   62.515   9.4243   26.677   6.8829   24.611   7.8614   33.460   14.246   59.178   9.8029   65.853   16.099 -6.674580 18.84854 
1 1 1    5   20   30 o   68.452   8.8118   31.167   6.9000   28.314   7.8465   40.898   14.492   63.588   9.1059   73.317   15.089 -9.728661 17.62363 
1 1 1    5   20   31 o   65.239   9.1188   28.266   6.8629   25.351   7.8055   38.198   14.407   60.013   9.5977   70.464   15.508 -10.45101 18.23753 
1 1 1    5   20   32 o   49.147   9.9505   13.328   6.3093   8.2633   7.1572   30.985   13.363   35.156   12.245   63.138   15.688 -27.98222 19.90093 
1 1 1    5   20   33 o   50.940   9.5410   21.135   6.6188   24.120   7.6212   11.974   13.352   58.430   9.6251   43.450   16.477 14.98065 19.08208 
1 1 1    5   20   34 o   69.759   9.6535   39.116   8.4531   45.720   10.642   27.826   13.915   80.314   9.7778   59.204   16.648 21.10967 19.30697 
1 1 1    5   20   35 o   65.997   9.9440   32.130   8.2980   28.961   10.227   38.235   14.195   62.020   12.599   69.975   15.388 -7.955036 19.88798 
1 1 1    5   20   36 o   37.061   10.396   6.7959   7.4382   5.4373   9.1495   9.4437   12.773   33.615   13.384   40.507   15.913 -6.892307 20.79284 
1 1 1    5   20   37 o   59.033   10.294   26.020   7.9603   22.087   9.9416   33.046   13.288   53.424   13.674   64.642   15.390 -11.21758 20.58772 
1 1 1    5   20   38 o   59.837   10.163   25.885   8.0516   18.332   10.058   39.360   13.435   48.538   14.314   71.137   14.430 -22.59919 20.32533 
1 1 1    5   20   39 o   46.290   10.733   14.869   7.6963   9.8308   9.6317   23.767   12.800   38.313   14.102   54.267   16.184 -15.95335 21.46550 
1 1 1    5   20   40 o   49.726   11.032   19.103   8.0237   17.450   10.003   22.086   13.436   47.239   14.356   52.213   16.756 -4.974369 22.06494 
1 1 1    5   20   42 o   58.186   17.077   28.336   14.346   28.336   14.346   0.0000   0.0000   58.186   17.077  ?   ?       ?      ? 
1 1 1    5   20   43 f   53.808   17.135   24.180   14.071   24.180   14.071   0.0000   0.0000   53.808   17.135  ?   ?       ?      ? 
1 1 1    5   20   44 o   32.405   14.381  -0.5852   12.596  -0.5852   12.596   0.0000   0.0000   32.405   14.381  ?   ?       ?      ? 
1 1 1    5   20   45 o   61.766   16.397   31.992   13.954   31.992   13.954   0.0000   0.0000   61.766   16.397  ?   ?       ?      ? 
1 1 1    5   20   46 o   26.049   11.730  -2.4639   8.7112  -2.4639   8.7112   0.0000   0.0000   26.049   11.730  ?   ?       ?      ? 
1 1 1    5   20   47 o   45.899   13.726   16.819   9.1988   16.819   9.1988   0.0000   0.0000   45.899   13.726  ?   ?       ?      ? 
1 1 1    5   20   48 o   37.146   13.775   9.6407   9.2226   9.6407   9.2226   0.0000   0.0000   37.146   13.775  ?   ?       ?      ? 
1 1 1    5   20   49 f   30.475   12.610   3.7358   8.4946   3.7358   8.4946   0.0000   0.0000   30.475   12.610  ?   ?       ?      ? 
1 1 1    5   20   50 o   30.158   12.483   3.6838   8.3300   3.6838   8.3300   0.0000   0.0000   30.158   12.483  ?   ?       ?      ? 
1 1 1    5   20   51 o   31.809   12.775   5.4141   8.4115   5.4141   8.4115   0.0000   0.0000   31.809   12.775  ?   ?       ?      ? 
1 1 1    5   20   52 o   38.256   13.284   11.295   8.4206   11.295   8.4206   0.0000   0.0000   38.256   13.284  ?   ?       ?      ? 
1 1 1    5   20   53 o   22.660   10.560  -5.2821   7.9249  -5.2821   7.9249   0.0000   0.0000   22.660   10.560  ?   ?       ?      ? 
1 1 1    5   20   54 o   26.981   11.767   0.7783   8.1002   0.7783   8.1002   0.0000   0.0000   26.981   11.767  ?   ?       ?      ? 
1 1 1    5   20   55 o   52.583   16.221   25.213   12.711   25.213   12.711   0.0000   0.0000   52.583   16.221  ?   ?       ?      ? 
1 1 1    5   20   56 o   29.396   13.219  -0.3808   11.021  -0.3808   11.021   0.0000   0.0000   29.396   13.219  ?   ?       ?      ? 
1 1 1    5   20   57 o   37.734   15.412   10.431   12.479   10.431   12.479   0.0000   0.0000   37.734   15.412  ?   ?       ?      ? 
1 1 1    5   20   58 o   29.865   12.441   4.5388   8.3498   4.5388   8.3498   0.0000   0.0000   29.865   12.441  ?   ?       ?      ? 
1 1 1    5   21    0 o   61.140   9.3701   27.212   7.3996   25.955   9.4703   29.182   11.857   59.639   12.131   62.642   14.284 -3.002872 18.74013 
1 1 1    5   21    1 o   47.972   9.6219   17.569   6.9267   23.060   8.8572   8.9225   11.114   56.176   11.999   39.769   15.045 16.40707 19.24385 
1 1 1    5   21    2 o   34.293   9.6236   5.0777   6.5386   4.9792   8.3539   5.2333   10.506   32.878   12.883   35.707   14.300 -2.829166 19.24715 
1 1 1    5   21    3 o   54.178   9.6962   21.988   7.0565   23.212   9.1027   20.143   11.171   56.273   12.282   52.083   15.007 4.189987 19.39231 
1 1 1    5   21    4 o   87.229   7.1355   54.835   8.1346   62.781   10.755   44.216   12.434   95.265   8.3312   79.193   11.587 16.07256 14.27094 
1 1 1    5   21    5 f  104.655   9.4065   76.214   13.340   0.0000   0.0000   76.214   13.340  ?   ?   104.655   9.4065      ?      ? 
1 1 1    5   21    6 o   46.257   10.138   14.962   6.9373   12.248   8.9585   19.027   10.964   41.825   13.702   50.689   14.944 -8.864334 20.27531 
1 1 1    5   21    7 o   78.090   7.9775   41.310   7.9044   27.991   10.113   62.217   12.671   61.791   12.507   94.388   9.9064 -32.59649 15.95505 
1 1 1    5   21    8 o   87.746   7.0472   51.622   8.2074   41.896   10.458   67.216   13.242   77.423   9.9681   98.068   9.9645 -20.64477 14.09444 
1 1 1    5   21    9 o   43.499   10.221   12.180   6.9930   8.3315   8.8891   18.429   11.328   37.040   13.560   49.959   15.296 -12.91867 20.44161 
1 1 1    5   21   10 o   39.359   10.661   8.8466   7.6655   11.417   8.8504   1.1296   15.336   40.659   13.631   38.059   16.395 2.600464 21.32135 
1 1 1    5   21   11 o   85.939   7.5280   50.988   8.7670   50.988   8.7670   0.0000   0.0000   85.939   7.5280  ?   ?       ?      ? 
1 1 1    5   21   12 o   91.724   7.1897   58.009   8.9367   58.009   8.9367   0.0000   0.0000   91.724   7.1897  ?   ?       ?      ? 
1 1 1    5   21   13 o   40.745   12.104   12.040   7.1709   12.040   7.1709   0.0000   0.0000   40.745   12.104  ?   ?       ?      ? 
1 1 1    5   21   14 o   70.270   9.6284   34.535   7.1412   33.453   7.9171   39.258   16.540   69.398   8.4185   71.143   17.319 -1.745163 19.25681 
1 1 1    5   21   15 o   77.748   9.2714   43.269   7.3887   42.737   8.1928   45.589   17.102   78.578   7.6940   76.918   16.871 1.659805 18.54282 
1 1 1    5   21   16 o   47.788   10.839   14.133   6.5677   12.260   7.2684   22.466   15.331   41.018   12.187   54.558   17.928 -13.54023 21.67776 
1 1 1    5   21   17 o   58.369   10.025   26.965   7.0425   28.724   7.9534   20.578   15.155   64.090   9.1576   52.648   17.836 11.44231 20.04958 
1 1 1    5   21   18 o   86.467   9.3487   57.232   9.2348   60.400   10.907   49.211   17.355   93.058   8.6491   79.876   16.577 13.18246 18.69732 
1 1 1    5   21   19 o   89.024   9.5801   66.461   9.4428   78.413   11.415   40.556   16.806  106.236   7.9292   71.811   17.443 34.42499 19.16022 
1 1 1    5   21   20 o   51.130   10.825   20.395   7.8834   22.335   9.3516   15.630   14.656   54.569   12.857   47.690   17.419 6.878597 21.65002 
1 1 1    5   21   21 o   38.857   10.588   6.3300   7.3297   2.7465   8.6594   15.385   13.765   30.760   12.730   46.954   16.922 -16.19338 21.17564 
1 1 1    5   21   22 o   38.905   10.610   5.9310   7.3459   2.0093   8.6286   16.259   14.003   30.025   12.589   47.784   17.084 -17.75938 21.22093 
1 1 1    5   21   23 o   67.480   9.9845   39.085   8.3312   46.459   9.9942   22.289   15.083   81.293   9.0722   53.667   17.789 27.62647 19.96895 
1 1 1    5   21   24 o   54.177   10.740   21.127   7.6032   18.626   8.9804   27.459   14.287   49.550   13.154   58.804   16.981 -9.254143 21.47976 
1 1 1    5   21   25 o   57.167   10.377   22.406   7.6252   17.141   9.0737   35.061   14.068   47.492   13.475   66.843   15.784 -19.35188 20.75311 
1 1 1    5   21   26 o   53.792   10.564   21.926   7.5591   20.989   9.0865   24.029   13.622   52.538   12.865   55.046   16.758 -2.507805 21.12725 
1 1 1    5   21   27 o   55.642   11.384   22.791   9.7553   38.075   14.753   10.916   13.004   69.328   16.024   41.955   16.174 27.37298 22.76817 
1 1 1    5   21   28 o   55.036   11.188   23.166   9.7328   9.5081   13.646   37.308   13.885   41.146   16.357   68.926   15.268 -27.77984 22.37555 
1 1 1    5   21   29 o   46.443   11.768   15.637   9.4702   19.455   13.739   12.181   13.072   49.977   16.982   42.908   16.296 7.069469 23.53569 
1 1 1    5   21   30 o   49.612   10.318   14.208   9.4233   37.575   13.897  -5.6791   12.821   68.926   15.280   30.297   13.871 38.62848 20.63692 
1 1 1    5   21   31 o   61.934   11.659   31.230   9.9819   34.089   14.250   28.474   13.987   64.864   16.246   59.004   16.726 5.859844 23.31739 
1 1 1    5   21   32 o   35.362   10.550   2.4914   8.8401   9.4723   13.137  -3.2853   11.951   40.359   16.047   30.364   13.700 9.995134 21.09970 
1 1 1    5   21   33 o   68.023   9.6417   35.793   8.3715   36.499   10.476   34.546   13.924   70.775   10.923   65.270   15.891 5.504929 19.28347 
1 1 1    5   21   34 o   80.816   9.1778   50.719   9.0834   53.326   11.222   45.765   15.467   86.166   9.6109   75.467   15.638 10.69978 18.35567 
1 1 1    5   21   35 o   38.475   10.321   6.5628   7.4188   0.6174   9.1138   18.240   12.773   29.021   12.570   47.928   16.373 -18.90756 20.64199 
1 1 1    5   21   36 o   58.675   13.030   26.829   10.091   26.829   10.091   0.0000   0.0000   58.675   13.030  ?   ?       ?      ? 
1 1 1    5   21   37 o   52.264   13.643   21.670   9.7665   21.670   9.7665   0.0000   0.0000   52.264   13.643  ?   ?       ?      ? 
1 1 1    5   21   38 o   33.287   13.278   5.8343   9.0199   5.8343   9.0199   0.0000   0.0000   33.287   13.278  ?   ?       ?      ? 
1 1 1    5   21   39 o   35.656   13.516   8.2425   8.9813   8.2425   8.9813   0.0000   0.0000   35.656   13.516  ?   ?       ?      ? 
1 1 1    5   21   40 o   25.474   11.501  -2.6634   8.4380  -2.6634   8.4380   0.0000   0.0000   25.474   11.501  ?   ?       ?      ? 
1 1 1    5   21   41 o   27.907   12.104   0.6473   8.4726   0.6473   8.4726   0.0000   0.0000   27.907   12.104  ?   ?       ?      ? 
1 1 1    5   21   42 o   50.983   13.150   20.754   9.1444   20.754   9.1444   0.0000   0.0000   50.983   13.150  ?   ?       ?      ? 
1 1 1    5   21   43 o   36.665   13.596   9.4240   8.9839   9.4240   8.9839   0.0000   0.0000   36.665   13.596  ?   ?       ?      ? 
1 1 1    5   21   44 o   51.621   13.050   21.398   9.1336   21.398   9.1336   0.0000   0.0000   51.621   13.050  ?   ?       ?      ? 
1 1 1    5   21   45 o   33.607   12.938   7.2251   8.3111   7.2251   8.3111   0.0000   0.0000   33.607   12.938  ?   ?       ?      ? 
1 1 1    5   21   46 o   33.948   12.911   7.6944   8.2122   7.6944   8.2122   0.0000   0.0000   33.948   12.911  ?   ?       ?      ? 
1 1 1    5   21   47 o   32.488   12.708   6.5250   8.1183   6.5250   8.1183   0.0000   0.0000   32.488   12.708  ?   ?       ?      ? 
1 1 1    5   21   48 o   28.140   12.779  -2.3420   10.601  -2.3420   10.601   0.0000   0.0000   28.140   12.779  ?   ?       ?      ? 
1 1 1    5   21   49 o   31.851   13.770   3.1373   10.896   3.1373   10.896   0.0000   0.0000   31.851   13.770  ?   ?       ?      ? 
1 1 1    5   21   50 o   26.519   12.264  -4.3179   10.381  -4.3179   10.381   0.0000   0.0000   26.519   12.264  ?   ?       ?      ? 
1 1 1    5   21   51 o   48.333   15.761   21.360   11.857   21.360   11.857   0.0000   0.0000   48.333   15.761  ?   ?       ?      ? 
1 1 1    5   21   52 o   22.750   10.581  -4.4207   7.8953  -4.4207   7.8953   0.0000   0.0000   22.750   10.581  ?   ?       ?      ? 
1 1 1    5   21   53 o   34.135   13.054   8.7914   8.4258   8.7914   8.4258   0.0000   0.0000   34.135   13.054  ?   ?       ?      ? 
1 1 1    5   21   54 o   30.056   12.323   5.2903   8.0172   5.2903   8.0172   0.0000   0.0000   30.056   12.323  ?   ?       ?      ? 
1 1 1    5   22    0 o   39.393   10.572   8.7370   6.9815   7.7967   8.0728   11.527   13.905   35.298   12.923   43.488   16.736 -8.189915 21.14481 
1 1 1    5   22    1 o   46.945   10.396   9.6354   7.2616   2.1553   8.3670   32.467   14.618   29.761   12.431   64.129   16.668 -34.36784 20.79268 
1 1 1    5   22    2 o   41.886   10.429   12.442   7.1635   14.519   8.3373   6.5845   14.002   44.099   13.040   39.673   16.278 4.425716 20.85730 
1 1 1    5   22    3 o   30.563   9.1608   1.0035   6.3969  -1.0906   8.0606   4.5662   10.514   26.557   11.656   34.569   14.136 -8.011734 18.32155 
1 1 1    5   22    4 o   29.919   9.0122   1.2882   6.3046   1.5625   8.0861   0.8628   10.069   28.804   12.137   31.035   13.326 -2.231438 18.02448 
1 1 1    5   22    5 o   51.622   9.8986   19.818   7.0052   17.119   9.0300   23.898   11.101   47.558   13.424   55.686   14.550 -8.128456 19.79715 
1 1 1    5   22    6 o   55.304   9.4437   21.889   7.0421   14.915   9.0285   32.723   11.253   44.639   13.654   65.970   13.050 -21.33042 18.88739 
1 1 1    5   22    7 o   78.490   7.4463   43.214   7.7874   40.162   10.001   47.915   12.412   75.291   9.8017   81.689   11.212 -6.398170 14.89257 
1 1 1    5   22    8 o   65.606   10.474   32.508   8.1101   32.319   9.2830   33.117   16.668   67.410   10.162   63.802   18.317 3.608181 20.94704 
1 1 1    5   22    9 o   50.029   11.036   19.339   7.7715   20.277   8.9448   16.450   15.696   51.710   12.827   48.347   17.963 3.363674 22.07225 
1 1 1    5   22   10 o   48.075   11.053   16.784   7.3847   16.429   8.3876   18.007   15.574   46.584   12.863   49.566   17.979 -2.981968 22.10628 
1 1 1    5   22   11 o   80.024   8.9331   39.030   8.4777   30.364   9.6513   68.308   17.739   64.029   11.548   96.020   13.633 -31.99186 17.86629 
1 1 1    5   22   12 o   42.094   10.453   4.7931   7.0315  -1.6820   7.9737   27.437   14.911   25.863   11.461   58.325   17.484 -32.46117 20.90563 
1 1 1    5   22   13 o   47.497   10.937   15.681   7.2216   13.982   8.2991   20.979   14.656   43.136   13.069   51.858   17.540 -8.722393 21.87344 
1 1 1    5   22   14 o   37.277   10.464   7.5128   7.0647   8.2887   8.0058   4.7821   15.018   35.604   12.894   38.950   16.483 -3.346443 20.92743 
1 1 1    5   22   15 o   57.317   10.269   18.111   7.5286   9.6177   8.5772   46.614   15.713   37.578   13.377   77.055   15.583 -39.47781 20.53760 
1 1 1    5   22   16 o   49.549   10.951   14.091   7.3790   8.6763   8.4045   32.306   15.415   36.310   13.202   62.788   17.475 -26.47824 21.90144 
1 1 1    5   22   17 o   47.254   10.400   18.181   7.3701   21.073   8.5091   9.4959   14.746   52.694   12.163   41.814   16.872 10.87992 20.79908 
1 1 1    5   22   18 o   39.204   10.394   6.7768   6.1526   4.0652   6.8235   18.567   14.229   29.302   11.592   49.106   17.256 -19.80374 20.78806 
1 1 1    5   22   19 o   84.274   7.8070   46.196   7.3412   42.435   8.1771   61.822   16.667   77.780   7.7580   90.768   13.550 -12.98772 15.61403 
1 1 1    5   22   20 o   67.631   9.9922   33.306   8.1322   30.155   9.5465   41.640   15.526   63.469   11.524   71.794   16.327 -8.325607 19.98439 
1 1 1    5   22   21 f   44.850   10.851   13.059   7.2319   9.8389   8.4332   22.009   14.059   37.530   13.275   52.169   17.169 -14.63921 21.70247 
1 1 1    5   22   22 o   33.248   9.9185   1.3856   6.9422  -1.7143   8.1382   9.6691   13.303   25.909   11.526   40.588   16.145 -14.67991 19.83709 
1 1 1    5   22   23 o   32.636   9.8076   2.7303   6.9452   2.1860   8.2146   4.0946   13.005   29.161   12.257   36.111   15.314 -6.950481 19.61514 
1 1 1    5   22   24 o   41.948   10.738   12.317   7.3979   11.647   8.8474   13.874   13.488   39.798   13.627   44.097   16.598 -4.299004 21.47559 
1 1 1    5   22   25 o   37.692   8.6228   7.2901   7.2501   20.473   8.7167 -22.3012   13.060   51.399   12.610   23.984   11.765 27.41559 17.24550 
1 1 1    5   22   26 o   62.422   10.141   27.492   7.9161   21.214   9.4117   42.674   14.635   51.978   13.305   72.865   15.309 -20.88652 20.28262 
1 1 1    5   22   27 o   33.190   9.7246   0.0015   6.9648  -5.6925   8.3379   13.147   12.668   23.529   10.920   42.850   16.095 -19.32099 19.44929 
1 1 1    5   22   28 o   32.015   9.7059   0.9391   6.9495  -1.8204   8.2794   7.5192   12.785   25.914   11.569   38.117   15.587 -12.20278 19.41186 
1 1 1    5   22   29 o   38.013   10.077   9.9433   7.0681   12.721   8.3671   3.0229   13.207   40.785   13.237   35.242   15.198 5.543293 20.15417 
1 1 1    5   22   30 o   41.687   13.498   13.421   8.7048   13.421   8.7048   0.0000   0.0000   41.687   13.498  ?   ?       ?      ? 
1 1 1    5   22   31 o   35.666   13.172   8.6307   8.4145   8.6307   8.4145   0.0000   0.0000   35.666   13.172  ?   ?       ?      ? 
1 1 1    5   22   32 o   35.351   13.311   8.2294   8.6766   8.2294   8.6766   0.0000   0.0000   35.351   13.311  ?   ?       ?      ? 
1 1 1    5   22   33 o   41.940   13.645   13.740   8.8897   13.740   8.8897   0.0000   0.0000   41.940   13.645  ?   ?       ?      ? 
1 1 1    5   22   34 o   42.921   14.119   14.548   9.5084   14.548   9.5084   0.0000   0.0000   42.921   14.119  ?   ?       ?      ? 
1 1 1    5   22   35 o   55.794   16.908   26.989   13.890   26.989   13.890   0.0000   0.0000   55.794   16.908  ?   ?       ?      ? 
1 1 1    5   22   36 o   30.498   13.632  -1.0316   11.529  -1.0316   11.529   0.0000   0.0000   30.498   13.632  ?   ?       ?      ? 
1 1 1    5   22   37 o   37.818   15.152   8.9305   11.801   8.9305   11.801   0.0000   0.0000   37.818   15.152  ?   ?       ?      ? 
1 1 1    5   22   38 o   34.002   14.417   4.5055   11.525   4.5055   11.525   0.0000   0.0000   34.002   14.417  ?   ?       ?      ? 
1 1 1    5   22   39 o   44.974   15.860   16.842   12.029   16.842   12.029   0.0000   0.0000   44.974   15.860  ?   ?       ?      ? 
1 1 1    5   22   40 o   42.453   15.523   14.550   11.644   14.550   11.644   0.0000   0.0000   42.453   15.523  ?   ?       ?      ? 
1 1 1    5   22   41 o   40.977   15.220   13.325   11.268   13.325   11.268   0.0000   0.0000   40.977   15.220  ?   ?       ?      ? 
1 1 1    5   22   42 o   33.381   14.078   5.1068   10.895   5.1068   10.895   0.0000   0.0000   33.381   14.078  ?   ?       ?      ? 
1 1 1    5   22   43 o   35.706   13.159   9.5707   8.3901   9.5707   8.3901   0.0000   0.0000   35.706   13.159  ?   ?       ?      ? 
1 1 1    5   22   44 o   39.212   13.321   12.595   8.4538   12.595   8.4538   0.0000   0.0000   39.212   13.321  ?   ?       ?      ? 
1 1 1    5   22   45 o   29.660   12.275   4.3179   8.0512   4.3179   8.0512   0.0000   0.0000   29.660   12.275  ?   ?       ?      ? 
1 1 1    5   22   46 o   38.499   13.274   12.339   8.4002   12.339   8.4002   0.0000   0.0000   38.499   13.274  ?   ?       ?      ? 
1 1 1    5   22   47 o   30.125   12.326   5.1647   8.0000   5.1647   8.0000   0.0000   0.0000   30.125   12.326  ?   ?       ?      ? 
1 1 1    5   22   48 o   33.754   12.822   8.7500   8.0939   8.7500   8.0939   0.0000   0.0000   33.754   12.822  ?   ?       ?      ? 
1 1 1    5   22   49 o   27.786   11.752   3.4123   7.6266   3.4123   7.6266   0.0000   0.0000   27.786   11.752  ?   ?       ?      ? 
1 1 1    5   23    0 f   49.755   9.8326   18.894   6.8294   15.719   8.8646   23.529   10.712   45.041   13.476   54.470   14.322 -9.428879 19.66517 
1 1 1    5   23    1 o   45.128   9.6051   16.218   6.5421   19.535   8.3495   10.945   10.529   50.386   12.329   39.870   14.732 10.51516 19.21027 
1 1 1    5   23    2 o   36.055   9.6430   7.9018   6.3347   6.4238   8.1129   10.210   10.139   33.236   12.786   38.874   14.438 -5.637894 19.28591 
1 1 1    5   23    3 o   55.800   9.4266   25.026   6.9994   28.082   8.9907   20.324   11.152   61.173   11.260   50.427   15.121 10.74599 18.85328 
1 1 1    5   23    4 o   43.155   9.1040   14.593   6.6162   22.141   8.4170   2.3890   10.703   53.887   11.849   32.423   13.825 21.46455 18.20806 
1 1 1    5   23    5 o   56.887   9.0915   26.384   7.0449   33.224   9.1486   16.418   11.043   67.877   9.9460   45.897   15.222 21.98016 18.18295 
1 1 1    5   23    6 o   42.178   9.4950   13.610   6.7627   19.816   8.7072   4.1741   10.736   50.543   12.722   33.814   14.099 16.72919 18.99008 
1 1 1    5   23    7 o   50.233   9.6649   20.404   6.8252   23.328   8.7695   15.912   10.870   55.204   12.060   45.262   15.106 9.942223 19.32986 
1 1 1    5   23    8 o   44.427   9.8970   14.987   6.5343   13.455   8.3719   17.376   10.452   41.938   13.202   46.915   14.748 -4.977158 19.79400 
1 1 1    5   23    9 o   36.538   9.0109   4.0018   6.3177  -5.3283   7.9596   19.888   10.386   23.129   10.711   49.948   14.494 -26.81901 18.02182 
1 1 1    5   23   10 o   40.084   10.312   11.134   6.2952   11.508   6.9603   9.4561   14.758   39.037   11.997   41.131   16.775 -2.094685 20.62344 
1 1 1    5   23   11 o   42.944   9.6958   15.178   7.2169   20.819   8.3460  -1.5458   14.369   52.011   12.074   33.877   15.175 18.13469 19.39163 
1 1 1    5   23   12 f   40.301   10.804   9.3345   7.0855   7.1251   8.0833   16.663   14.722   33.868   12.826   46.733   17.390 -12.86475 21.60795 
1 1 1    5   23   13 o   38.923   9.7333   10.939   7.2056   16.531   8.3858  -4.8399   14.086   46.010   12.919   31.835   14.562 14.17581 19.46662 
1 1 1    5   23   14 o   57.587   9.6226   30.739   7.8148   38.642   9.2277   10.695   14.695   73.333   9.2857   41.840   16.857 31.49213 19.24529 
1 1 1    5   23   15 o   33.790   9.9188   4.9762   6.9340   5.9779   8.0734   2.1599   13.537   32.536   12.688   35.044   15.249 -2.508327 19.83752 
1 1 1    5   23   16 o   40.708   10.554   11.933   7.1840   12.682   8.3632   9.8259   14.032   40.732   13.234   40.685   16.444 0.4726791E-01 21.10781 
1 1 1    5   23   17 f   37.952   10.194   9.7673   7.0086   11.680   8.1309   4.2374   13.825   39.346   13.062   36.557   15.653 2.788403 20.38751 
1 1 1    5   23   18 f   29.095   9.2185  -3.8487   6.6601  -7.2704   7.7803   5.5341   12.884   21.615   10.196   36.576   15.361 -14.96058 18.43690 
1 1 1    5   23   19 o   47.135   10.594   18.025   7.2842   18.934   8.5185   15.554   14.050   49.085   12.707   45.184   16.953 3.900742 21.18705 
1 1 1    5   23   20 o   43.016   10.447   10.278   6.9451   4.8539   8.0912   25.458   13.536   31.265   12.539   54.767   16.713 -23.50213 20.89364 
1 1 1    5   23   21 o   31.666   9.5609  -1.6500   6.4233  -5.9106   7.3521   12.089   13.202   21.575   10.093   41.757   16.242 -20.18248 19.12189 
1 1 1    5   23   22 o   30.924   12.208   5.1349   7.5521   5.1349   7.5521   0.0000   0.0000   30.924   12.208  ?   ?       ?      ? 
1 1 1    5   23   23 o   43.154   12.891   14.659   8.1162   14.659   8.1162   0.0000   0.0000   43.154   12.891  ?   ?       ?      ? 
1 1 1    5   23   24 o   55.704   11.781   24.024   8.6150   24.024   8.6150   0.0000   0.0000   55.704   11.781  ?   ?       ?      ? 
1 1 1    5   23   25 o   30.525   12.333   4.4858   7.8895   4.4858   7.8895   0.0000   0.0000   30.525   12.333  ?   ?       ?      ? 
1 1 1    5   23   26 o   31.361   12.540   5.1621   8.0663   5.1621   8.0663   0.0000   0.0000   31.361   12.540  ?   ?       ?      ? 
1 1 1    5   23   27 o   55.754   12.001   24.312   8.7984   24.312   8.7984   0.0000   0.0000   55.754   12.001  ?   ?       ?      ? 
1 1 1    5   23   28 o   52.520   12.721   22.026   8.9581   22.026   8.9581   0.0000   0.0000   52.520   12.721  ?   ?       ?      ? 
1 1 1    5   23   29 f   35.532   13.065   8.9746   8.2640   8.9746   8.2640   0.0000   0.0000   35.532   13.065  ?   ?       ?      ? 
1 1 1    5   23   30 o   36.271   13.347   9.5116   8.6270   9.5116   8.6270   0.0000   0.0000   36.271   13.347  ?   ?       ?      ? 
1 1 1    5   23   31 o   46.932   13.167   17.982   8.7144   17.982   8.7144   0.0000   0.0000   46.932   13.167  ?   ?       ?      ? 
1 1 1    5   23   32 o   37.953   13.457   11.095   8.6707   11.095   8.6707   0.0000   0.0000   37.953   13.457  ?   ?       ?      ? 
1 1 1    5   23   33 o   45.406   13.277   17.015   8.6863   17.015   8.6863   0.0000   0.0000   45.406   13.277  ?   ?       ?      ? 
1 1 1    5   23   34 o   29.967   12.359   4.1987   8.1218   4.1987   8.1218   0.0000   0.0000   29.967   12.359  ?   ?       ?      ? 
1 1 1    5   23   35 o   30.235   12.461   4.4363   8.2507   4.4363   8.2507   0.0000   0.0000   30.235   12.461  ?   ?       ?      ? 
1 1 1    5   23   36 o   35.738   12.940   9.7932   8.0627   9.7932   8.0627   0.0000   0.0000   35.738   12.940  ?   ?       ?      ? 
1 1 1    5   23   37 o   38.851   13.120   12.386   8.2004   12.386   8.2004   0.0000   0.0000   38.851   13.120  ?   ?       ?      ? 
1 1 1    5   23   38 f   43.005   13.197   15.714   8.4265   15.714   8.4265   0.0000   0.0000   43.005   13.197  ?   ?       ?      ? 
1 1 1    5   23   39 o   38.384   13.186   12.285   8.2864   12.285   8.2864   0.0000   0.0000   38.384   13.186  ?   ?       ?      ? 
1 1 1    5   23   40 o   26.511   11.568   1.3077   7.8379   1.3077   7.8379   0.0000   0.0000   26.511   11.568  ?   ?       ?      ? 
1 1 1    5   23   41 o   16.528   8.2272 -15.9074   7.2778 -15.9074   7.2778   0.0000   0.0000   16.528   8.2272  ?   ?       ?      ? 
1 1 1    5   23   42 o   20.590   9.8101  -6.9156   7.5599  -6.9156   7.5599   0.0000   0.0000   20.590   9.8101  ?   ?       ?      ? 
1 1 1    5   23   43 o   33.166   12.818   8.5338   8.1837   8.5338   8.1837   0.0000   0.0000   33.166   12.818  ?   ?       ?      ? 
1 1 1    5   24    0 o   45.646   10.490   16.344   7.5012   21.473   11.277   12.275   10.046   50.895   15.193   40.398   14.467 10.49717 20.97918 
1 1 1    5   24    1 o   41.254   9.9833   11.816   7.6327   0.9746   11.169   21.314   10.455   31.476   13.770   51.031   14.459 -19.55507 19.96669 
1 1 1    5   24    2 o   46.949   10.763   17.806   7.7757   20.212   11.838   15.981   10.312   49.276   15.719   44.623   14.705 4.652340 21.52534 
1 1 1    5   24    3 o   45.738   14.857   16.957   10.540   0.0000   0.0000   16.957   10.540  ?   ?    45.738   14.857      ?      ? 
1 1 1    5   24    4 o   43.518   14.714   15.046   10.314   0.0000   0.0000   15.046   10.314  ?   ?    43.518   14.714      ?      ? 
1 1 1    5   24    5 o   29.674   12.922   0.8811   9.7360   0.0000   0.0000   0.8811   9.7360  ?   ?    29.674   12.922      ?      ? 
1 1 1    5   24    6 o   38.927   14.564   10.825   10.353   0.0000   0.0000   10.825   10.353  ?   ?    38.927   14.564      ?      ? 
1 1 1    5   24    7 o   35.606   14.000   7.7745   9.8955   0.0000   0.0000   7.7745   9.8955  ?   ?    35.606   14.000      ?      ? 
1 1 1    5   24    8 o   31.132   8.9414  -1.2462   7.2692 -18.2707   10.906   12.363   9.7511   21.980   10.776   40.284   14.272 -18.30360 17.88279 
1 1 1    5   24    9 o   46.581   11.452   15.523   8.9865   8.1015   11.370   27.877   14.669   36.952   14.848   56.209   17.440 -19.25750 22.90463 
1 1 1    5   24   10 o   48.281   10.873   16.994   7.1253   14.159   8.1741   25.963   14.540   42.285   13.002   54.278   17.432 -11.99292 21.74671 
1 1 1    5   24   11 o   29.586   9.1757   1.2860   6.5431   3.2878   7.5173  -4.9706   13.290   28.814   11.887   30.357   13.981 -1.542519 18.35131 
1 1 1    5   24   12 o   45.299   10.836   13.869   6.9920   10.416   7.9944   25.107   14.422   37.269   12.943   53.328   17.382 -16.05866 21.67148 
1 1 1    5   24   13 o   36.002   10.111   7.8757   6.7470   7.9214   7.8201   7.7426   13.345   34.092   12.676   37.913   15.756 -3.820911 20.22200 
1 1 1    5   24   14 o   37.035   12.822   10.324   7.8425   10.324   7.8425   0.0000   0.0000   37.035   12.822  ?   ?       ?      ? 
1 1 1    5   24   15 o   27.656   11.592   2.4524   7.3132   2.4524   7.3132   0.0000   0.0000   27.656   11.592  ?   ?       ?      ? 
1 1 1    5   24   16 o   30.815   12.300   5.1245   7.7459   5.1245   7.7459   0.0000   0.0000   30.815   12.300  ?   ?       ?      ? 
1 1 1    5   24   17 o   45.443   12.722   16.635   8.1447   16.635   8.1447   0.0000   0.0000   45.443   12.722  ?   ?       ?      ? 
1 1 1    5   24   18 o   33.507   12.708   7.4997   7.9424   7.4997   7.9424   0.0000   0.0000   33.507   12.708  ?   ?       ?      ? 
1 1 1    5   24   19 o   36.662   13.082   10.098   8.2071   10.098   8.2071   0.0000   0.0000   36.662   13.082  ?   ?       ?      ? 
1 1 1    5   24   20 o   42.711   13.327   14.869   8.5525   14.869   8.5525   0.0000   0.0000   42.711   13.327  ?   ?       ?      ? 
1 1 1    5   24   21 o   44.395   13.410   16.242   8.7471   16.242   8.7471   0.0000   0.0000   44.395   13.410  ?   ?       ?      ? 
1 1 1    5   24   22 o   54.227   12.698   23.894   9.1667   23.894   9.1667   0.0000   0.0000   54.227   12.698  ?   ?       ?      ? 
1 1 1    5   24   23 o   28.167   12.105   1.9040   8.3207   1.9040   8.3207   0.0000   0.0000   28.167   12.105  ?   ?       ?      ? 
1 1 1    5   24   24 o   33.795   13.037   7.7750   8.4519   7.7750   8.4519   0.0000   0.0000   33.795   13.037  ?   ?       ?      ? 
1 1 1    5   24   25 o   65.548   10.591   32.708   9.4079   32.708   9.4079   0.0000   0.0000   65.548   10.591  ?   ?       ?      ? 
1 1 1    5   24   26 o   32.405   12.772   6.7454   8.2539   6.7454   8.2539   0.0000   0.0000   32.405   12.772  ?   ?       ?      ? 
1 1 1    5   24   27 o   29.826   12.322   4.3748   8.0928   4.3748   8.0928   0.0000   0.0000   29.826   12.322  ?   ?       ?      ? 
1 1 1    5   24   28 o   18.043   8.8479 -12.4474   7.3685 -12.4474   7.3685   0.0000   0.0000   18.043   8.8479  ?   ?       ?      ? 
1 1 1    5   24   29 o   46.721   13.151   18.638   8.6788   18.638   8.6788   0.0000   0.0000   46.721   13.151  ?   ?       ?      ? 
1 1 1    5   24   30 o   27.864   11.955   2.4649   8.0938   2.4649   8.0938   0.0000   0.0000   27.864   11.955  ?   ?       ?      ? 
1 1 1    5   24   31 o   27.198   11.827   1.7151   8.1326   1.7151   8.1326   0.0000   0.0000   27.198   11.827  ?   ?       ?      ? 
1 1 1    5   24   32 o   39.137   13.483   13.207   8.6665   13.207   8.6665   0.0000   0.0000   39.137   13.483  ?   ?       ?      ? 
1 1 1    5   24   33 o   41.221   13.441   15.007   8.6233   15.007   8.6233   0.0000   0.0000   41.221   13.441  ?   ?       ?      ? 
1 1 1    5   24   34 o   31.912   12.743   7.1543   8.3166   7.1543   8.3166   0.0000   0.0000   31.912   12.743  ?   ?       ?      ? 
1 1 1    5   24   35 o   35.140   13.045   10.317   8.2749   10.317   8.2749   0.0000   0.0000   35.140   13.045  ?   ?       ?      ? 
1 1 1    5   24   36 o   22.048   10.329  -4.4086   7.7512  -4.4086   7.7512   0.0000   0.0000   22.048   10.329  ?   ?       ?      ? 
1 1 1    5   24   37 o   26.646   11.670   2.0449   8.0410   2.0449   8.0410   0.0000   0.0000   26.646   11.670  ?   ?       ?      ? 
1 1 1    5   25    0 o   52.101   11.891   24.748   9.4367   22.903   12.246   27.444   14.807   50.456   15.976   53.746   17.616 -3.290035 23.78191 
1 1 1    5   25    1 o   38.894   11.046   10.932   8.8756   11.783   11.731   9.7917   13.574   39.289   15.302   38.499   15.936 0.7902107 22.09286 
1 1 1    5   25    2 o   33.687   9.8595   1.1478   8.7395   15.091   11.626 -16.9664   13.252   42.359   15.508   25.015   12.180 17.34361 19.71894 
1 1 1    5   25    3 o   37.269   10.974   8.5775   9.1216   8.1904   12.137   9.0799   13.827   36.464   15.079   38.074   15.948 -1.610058 21.94815 
1 1 1    5   25    4 o   39.249   11.180   11.209   9.1049   10.240   12.293   12.388   13.552   38.138   15.399   40.360   16.213 -2.221436 22.36077 
1 1 1    5   25    5 o   38.087   10.787   9.6018   8.9173   15.923   12.018   1.8577   13.302   43.097   15.769   33.077   14.724 10.01976 21.57393 
1 1 1    5   25    6 o   43.247   11.106   15.496   9.0020   23.170   12.378   6.8794   13.116   50.458   16.071   36.037   15.334 14.42097 22.21279 
1 1 1    5   25    7 o   44.248   11.525   16.208   9.1864   10.556   12.092   23.924   14.128   38.184   15.324   50.312   17.220 -12.12814 23.05071 
1 1 1    5   25    8 o   45.910   16.141   18.982   12.451   18.982   12.451   0.0000   0.0000   45.910   16.141  ?   ?       ?      ? 
1 1 1    5   25    9 o   34.806   13.085   8.9401   8.3781   8.9401   8.3781   0.0000   0.0000   34.806   13.085  ?   ?       ?      ? 
1 1 1    5   25   10 o   23.205   10.659  -3.2798   7.6549  -3.2798   7.6549   0.0000   0.0000   23.205   10.659  ?   ?       ?      ? 
1 1 1    5   25   11 o   29.336   12.264   3.8113   8.1542   3.8113   8.1542   0.0000   0.0000   29.336   12.264  ?   ?       ?      ? 
1 1 1    5   25   12 o   39.542   13.323   13.006   8.4560   13.006   8.4560   0.0000   0.0000   39.542   13.323  ?   ?       ?      ? 
1 1 1    5   25   13 o   29.282   12.282   3.7673   8.2180   3.7673   8.2180   0.0000   0.0000   29.282   12.282  ?   ?       ?      ? 
1 1 1    5   25   14 o   36.766   13.165   10.867   8.3179   10.867   8.3179   0.0000   0.0000   36.766   13.165  ?   ?       ?      ? 
1 1 1    5   25   15 o   27.262   11.770   1.8987   7.9389   1.8987   7.9389   0.0000   0.0000   27.262   11.770  ?   ?       ?      ? 
1 1 1    5   25   16 o   51.518   12.939   22.548   9.0207   22.548   9.0207   0.0000   0.0000   51.518   12.939  ?   ?       ?      ? 
1 1 1    5   25   17 o   67.163   10.455   34.948   9.5159   34.948   9.5159   0.0000   0.0000   67.163   10.455  ?   ?       ?      ? 
1 1 1    5   25   18 o   49.485   13.033   21.074   8.8605   21.074   8.8605   0.0000   0.0000   49.485   13.033  ?   ?       ?      ? 
1 1 1    5   25   19 o   31.770   12.862   6.4866   8.5999   6.4866   8.5999   0.0000   0.0000   31.770   12.862  ?   ?       ?      ? 
1 1 1    5   25   20 o   39.416   13.813   13.555   9.1153   13.555   9.1153   0.0000   0.0000   39.416   13.813  ?   ?       ?      ? 
1 1 1    5   25   21 o   41.047   15.959   15.580   12.744   15.580   12.744   0.0000   0.0000   41.047   15.959  ?   ?       ?      ? 
1 1 1    5   25   22 o   32.375   14.316   4.1519   12.376   4.1519   12.376   0.0000   0.0000   32.375   14.316  ?   ?       ?      ? 
1 1 1    5   25   23 o   50.020   16.599   25.710   13.131   25.710   13.131   0.0000   0.0000   50.020   16.599  ?   ?       ?      ? 
1 1 1    5   25   24 o   28.693   13.198  -1.0877   11.793  -1.0877   11.793   0.0000   0.0000   28.693   13.198  ?   ?       ?      ? 
1 1 1    5   25   25 o   34.730   15.055   8.0938   13.096   8.0938   13.096   0.0000   0.0000   34.730   15.055  ?   ?       ?      ? 
1 1 1    5   25   26 o   41.682   16.095   17.730   12.893   17.730   12.893   0.0000   0.0000   41.682   16.095  ?   ?       ?      ? 
1 1 1    5   26    0 o   33.141   10.297   5.7537   8.9284   3.6881   12.385   7.9887   12.883   31.675   14.145   34.607   14.967 -2.932428 20.59387 
1 1 1    5   26    1 o   33.211   10.004   4.5520   8.8347   14.949   11.769  -8.8708   13.372   39.707   15.365   26.715   12.814 12.99194 20.00718 
1 1 1    5   26    2 o   29.154   9.4364  -0.4941   8.4974   3.4582   11.691  -4.9211   12.373   31.010   13.803   27.299   12.871 3.710743 18.87289 
1 1 1    5   26    3 o   29.168   9.4658  -0.7891   8.6689   3.6058   11.623  -6.2997   13.015   31.024   13.789   27.311   12.972 3.712173 18.93170 
1 1 1    5   26    4 o   36.545   10.851   10.779   9.2877   14.850   12.635   5.9952   13.698   39.435   15.720   33.655   14.963 5.779530 21.70267 
1 1 1    5   26    5 o   30.713   9.7174   1.2829   8.8094   9.3121   11.826  -8.7260   13.204   34.916   14.693   26.510   12.721 8.405487 19.43476 
1 1 1    5   26    6 o   33.710   10.061  -0.2099   8.9421 -16.1710   11.736   21.877   13.806   22.470   11.048   44.951   16.818 -22.48139 20.12209 
1 1 1    5   26    7 o   31.743   14.094   4.5390   12.115   4.5390   12.115   0.0000   0.0000   31.743   14.094  ?   ?       ?      ? 
1 1 1    5   26    8 o   26.324   11.626   1.4951   8.1366   1.4951   8.1366   0.0000   0.0000   26.324   11.626  ?   ?       ?      ? 
1 1 1    6    0    0 o  1486.90   23.178 15012.13  466.774 15012.13  466.774   0.0000   0.0000  1486.90   23.178  1486.90   23.178 -0.000000 0.000000 
1 1 1    6    0    1 o  860.901   13.898  5033.65  161.930  4961.49  226.832  5108.63  231.238  854.606   19.610  867.195   19.700 -0.000000 0.000000 
1 1 1    6    0    2 o  1337.84   20.986 12173.92  380.043 12220.63  538.888 12127.70  536.046  1340.39   29.701  1335.29   29.657 -0.000000 0.000000 
1 1 1    6    0    3 o  508.112   8.9296  1752.76   61.389  1719.64   85.869  1787.38   87.799  503.198   12.610  513.027   12.646 -0.000000 0.000000 
1 1 1    6    0    4 o  154.335   5.0896  162.416   10.579  173.163   15.123  152.115   14.805  159.389   7.0326  149.281   7.3593 -0.000000 0.000000 
1 1 1    6    0    5 o  1265.39   19.895 10889.05  340.753 10768.72  478.281 11013.08  485.598  1258.29   28.081  1272.49   28.192 -0.000000 0.000000 
1 1 1    6    0    6 o  114.395   4.9177   89.683   7.5552   92.788   10.692   86.586   10.677  116.417   6.8315  112.372   7.0757 -0.000000 0.000000 
1 1 1    6    0    7 o  814.569   13.222  4507.83  145.776  4518.01  206.382  4497.68  205.935  815.489   18.698  813.649   18.699 -0.000000 0.000000 
1 1 1    6    0    8 o  575.454   9.8382  2249.06   76.618  2239.72  108.002  2258.53  108.710  574.250   13.897  576.658   13.930 -0.000000 0.000000 
1 1 1    6    0    9 o  536.086   9.3054  1950.64   67.486  2008.33   96.938  1896.39   94.007  543.785   13.172  528.388   13.147 -0.000000 0.000000 
1 1 1    6    0   10 o  854.440   13.805  4961.50  159.661  4952.67  225.485  4970.37  226.104  853.678   19.514  855.203   19.533 -0.000000 0.000000 
1 1 1    6    0   11 o  1320.69   20.749 11876.77  370.928 11831.92  523.091 11922.12  526.066  1318.19   29.316  1323.19   29.371 -0.000000 0.000000 
1 1 1    6    0   12 o  1279.88   20.140 11149.86  348.826 10918.88  486.336 11394.58  500.602  1266.24   28.375  1293.52   28.590 -0.000000 0.000000 
1 1 1    6    0   14 o  641.884   15.244  2800.00  132.430   0.0000   0.0000  2800.00  132.430  641.884   15.244  641.884   15.244 -0.000000 0.000000 
1 1 1    6    0   15 o  136.037   5.1211  126.422   9.3666  135.473   13.421  117.828   13.078  140.849   7.0724  131.225   7.4084 -0.000000 0.000000 
1 1 1    6    0   16 o  860.024   13.913  5031.04  161.931  4947.51  226.518  5118.34  231.576  852.723   19.626  867.324   19.726 -0.000000 0.000000 
1 1 1    6    0   17 o  148.017   5.1763  149.526   10.317  157.481   14.753  141.911   14.434  151.915   7.2031  144.120   7.4359 -0.000000 0.000000 
1 1 1    6    0   18 o  166.669   5.2708  189.346   11.841  199.804   16.929  179.329   16.568  171.218   7.3268  162.120   7.5793 -0.000000 0.000000 
1 1 1    6    0   19 o  563.405   9.7104  2155.89   74.005  2226.83  106.587  2089.87  102.833  572.357   13.760  554.453   13.705 -0.000000 0.000000 
1 1 1    6    0   20 o  727.119   12.029  3580.63  118.109  3838.68  174.367  3361.85  160.550  751.237   17.148  703.000   16.875 -0.000000 0.000000 
1 1 1    6    0   22 o  368.619   10.227  923.479   50.997  923.479   50.997   0.0000   0.0000  368.619   10.227  368.619   10.227 -0.000000 0.000000 
1 1 1    6    0   23 o  234.218   5.8583  372.246   18.502  340.364   25.501  407.680   26.885  223.600   8.4434  244.837   8.1233 -0.000000 0.000000 
1 1 1    6    0   24 o  145.330   5.3477  144.186   10.456  153.238   15.016  135.663   14.569  149.811   7.4382  140.850   7.6853 -0.000000 0.000000 
1 1 1    6    0   25 o  725.987   12.002  3580.04  117.890  3490.60  164.140  3675.33  169.428  716.619   16.924  735.355   17.023 -0.000000 0.000000 
1 1 1    6    0   26 o  1099.47   17.475  8207.25  259.722  7844.92  356.380  8617.68  379.294  1073.65   24.524  1125.29   24.901 -0.000000 0.000000 
1 1 1    6    0   27 o  807.902   13.184  4435.64  144.155  4376.24  202.211  4497.03  205.562  802.398   18.619  813.406   18.671 -0.000000 0.000000 
1 1 1    6    0   28 o  1835.08   28.653 22958.70  710.842 21988.35  975.542 24057.11  1037.92  1793.91   40.175  1876.26   40.865 -0.000000 0.000000 
1 1 1    6    0   29 o  243.953   6.0340  404.504   19.882  423.426   28.547  386.682   27.705  249.517   8.4648  238.390   8.6015 -0.000000 0.000000 
1 1 1    6    0   30 o  949.029   15.246  6117.89  195.737  6311.54  282.468  5939.01  271.486  963.470   21.659  934.589   21.462 -0.000000 0.000000 
1 1 1    6    0   31 o  761.422   12.531  3933.23  129.024  3778.09  177.975  4105.07  187.318  745.610   17.637  777.235   17.806 -0.000000 0.000000 
1 1 1    6    0   32 o  1372.53   30.515 12834.80  566.928   0.0000   0.0000 12834.80  566.928  1372.53   30.515  1372.53   30.515 -0.000000 0.000000 
1 1 1    6    0   33 o  380.545   10.540  983.963   54.259   0.0000   0.0000  983.963   54.259  380.545   10.540  380.545   10.540 -0.000000 0.000000 
1 1 1    6    0   34 o  276.593   6.3820  519.873   23.850  496.808   33.299  544.172   34.178  270.267   9.1153  282.918   8.9347 -0.000000 0.000000 
1 1 1    6    0   35 o  1208.16   19.117  9941.98  312.629  9915.30  441.391  9968.83  442.862  1206.53   27.027  1209.79   27.044 -0.000000 0.000000 
1 1 1    6    0   36 o  385.554   7.5814  1007.64   39.489  945.112   54.373  1077.44   57.447  372.892   10.780  398.216   10.663 -0.000000 0.000000 
1 1 1    6    0   38 o  130.415   6.0425  116.848   10.566  113.405   15.053  120.192   14.835  128.456   8.7401  132.374   8.3460 -0.000000 0.000000 
1 1 1    6    0   39 o  838.711   19.362  4786.11  219.793  4786.11  219.793   0.0000   0.0000  838.711   19.362  838.711   19.362 -0.000000 0.000000 
1 1 1    6    0   40 o  133.834   6.0897  123.193   10.913  116.687   15.658  129.339   15.219  130.275   8.9669  137.392   8.2420 -0.000000 0.000000 
1 1 1    6    0   41 o  1142.72   18.190  8903.72  281.295  8727.62  392.639  9089.42  403.192  1131.12   25.645  1154.31   25.805 -0.000000 0.000000 
1 1 1    6    0   42 o  245.301   6.2769  409.339   20.797  420.010   29.868  399.296   28.974  248.411   8.8986  242.190   8.8551 -0.000000 0.000000 
1 1 1    6    0   43 o  332.070   7.0540  748.381   31.646  790.425   45.947  710.435   43.649  340.951   9.9637  323.190   9.9880 -0.000000 0.000000 
1 1 1    6    0   44 o  502.349   9.0624  1716.16   61.600  1724.70   87.500  1707.76   86.737  503.588   12.841  501.111   12.792 -0.000000 0.000000 
1 1 1    6    0   45 o  109.206   6.5529   81.473   9.4178  100.283   14.206   66.726   12.579  120.650   8.7965   97.762   9.7153 -0.000000 0.000000 
1 1 1    6    0   46 o  397.027   7.7810  1072.21   41.790  1071.87   59.314  1072.55   58.888  396.959   11.046  397.096   10.962 -0.000000 0.000000 
1 1 1    6    0   47 o  253.741   6.3783  438.516   21.860  424.031   30.898  453.033   30.933  249.508   9.1662  257.973   8.8721 -0.000000 0.000000 
1 1 1    6    0   48 o  436.230   8.2599  1294.42   48.737  1257.39   68.210  1333.06   69.663  429.836   11.730  442.624   11.632 -0.000000 0.000000 
1 1 1    6    0   49 o  244.654   6.3860  407.416   21.038  364.923   29.237  453.045   30.297  231.333   9.3611  257.974   8.6887 -0.000000 0.000000 
1 1 1    6    0   50 o  165.384   8.4150  187.005   18.748   0.0000   0.0000  187.005   18.748  165.384   8.4150  165.384   8.4150 -0.000000 0.000000 
1 1 1    6    0   51 o   93.459   7.1243   61.154   8.7396   64.027   12.872   58.698   11.904   95.501   10.244   91.417   9.9034 -0.000000 0.000000 
1 1 1    6    0   53 o  106.273   6.8099   78.466   9.6023   79.841   14.084   77.272   13.126  107.085   9.9002  105.462   9.3535 -0.000000 0.000000 
1 1 1    6    0   54 o  402.200   7.9594  1097.03   43.201  1007.15   58.956  1201.25   63.485  384.433   11.339  419.966   11.173 -0.000000 0.000000 
1 1 1    6    0   55 o  175.899   8.9712  211.713   21.257  211.713   21.257   0.0000   0.0000  175.899   8.9712  175.899   8.9712 -0.000000 0.000000 
1 1 1    6    0   56 o  306.940   9.9549  642.130   41.308  642.130   41.308   0.0000   0.0000  306.940   9.9549  306.940   9.9549 -0.000000 0.000000 
1 1 1    6    0   57 o  151.119   6.3239  156.186   12.821  165.248   18.871  148.416   17.474  155.198   9.0429  147.041   8.8428 -0.000000 0.000000 
1 1 1    6    0   58 o  349.138   7.4302  827.317   34.988  751.194   47.830  914.931   51.313  331.863   10.661  366.413   10.353 -0.000000 0.000000 
1 1 1    6    0   59 o  198.573   6.3148  269.641   16.899  256.670   23.889  282.633   23.908  193.719   9.1464  203.426   8.7091 -0.000000 0.000000 
1 1 1    6    0   62 o  136.238   6.7825  127.092   12.325  143.487   18.317  113.527   16.661  144.357   9.4567  128.119   9.7253 -0.000000 0.000000 
1 1 1    6    0   63 o  282.797   6.9515  546.221   26.550  524.692   37.590  567.653   37.505  277.169   10.038  288.426   9.6198 -0.000000 0.000000 
1 1 1    6    0   64 o  430.993   8.4175  1264.52   48.982  1168.43   67.140  1373.86   71.620  413.482   12.005  448.505   11.802 -0.000000 0.000000 
1 1 1    6    0   65 o  215.986   9.1063  318.934   26.546   0.0000   0.0000  318.934   26.546  215.986   9.1063  215.986   9.1063 -0.000000 0.000000 
1 1 1    6    0   66 o  137.665   9.4164  130.736   17.378   0.0000   0.0000  130.736   17.378  137.665   9.4164  137.665   9.4164 -0.000000 0.000000 
1 1 1    6    0   67 o   74.872   10.123   41.961   9.0978   49.158   13.452   35.894   12.351   81.900   13.133   67.844   15.409 -0.000000 0.000000 
1 1 1    6    0   68 o  100.015   8.9656   73.928   10.528   48.302   14.851   99.824   14.929   80.002   15.327  120.029   9.3069 -0.000000 0.000000 
1 1 1    6    0   69 o   46.995   12.560   20.955   8.2185   13.238   11.945   27.892   11.326   36.196   18.790   57.795   16.671 -0.000000 0.000000 
1 1 1    6    0   70 o  257.288   9.7628  453.346   33.928  453.346   33.928   0.0000   0.0000  257.288   9.7628  257.288   9.7628 -0.000000 0.000000 
1 1 1    6    0   71 o  225.519   9.5678  348.833   29.121  348.833   29.121   0.0000   0.0000  225.519   9.5678  225.519   9.5678 -0.000000 0.000000 
1 1 1    6    0   72 o  117.919   7.3274   97.440   11.467   92.167   16.479  102.390   15.967  114.579   10.836  121.259   9.8669 -0.000000 0.000000 
1 1 1    6    0   73 f  354.401   7.7191  859.252   36.895  781.047   50.458  949.102   54.084  337.028   11.075  371.773   10.756 -0.000000 0.000000 
1 1 1    6    0   74 o  357.886   7.7465  881.286   37.484  884.146   53.501  878.528   52.534  358.416   11.039  357.356   10.871 -0.000000 0.000000 
1 1 1    6    0   75 o  125.723   7.1328  110.338   11.965  112.677   17.278  108.182   16.587  126.987   10.191  124.459   9.9822 -0.000000 0.000000 
1 1 1    6    0   77 o  183.053   6.6601  231.609   16.413  240.499   23.656  223.358   22.790  186.464   9.4166  179.643   9.4209 -0.000000 0.000000 
1 1 1    6    0   78 o   46.672   13.227   21.223   8.1225   22.512   11.822   20.070   11.179   48.240   18.895   45.105   18.514 -0.000000 0.000000 
1 1 1    6    0   79 o  134.987   7.4936  131.223   13.097  101.748   19.003  157.889   18.075  119.219   12.044  150.755   8.9191 -0.000000 0.000000 
1 1 1    6    0   80 f   62.854   15.611   32.272   11.507   0.0000   0.0000   32.272   11.507   62.854   15.611   62.854   15.611 -0.000000 0.000000 
1 1 1    6    0   81 o  111.223   7.6401   88.344   11.244   88.852   16.423   87.896   15.426  111.352   11.139  111.095   10.460 -0.000000 0.000000 
1 1 1    6    0   82 o  229.441   6.9496  367.299   21.467  335.095   29.909  401.514   30.829  218.807   10.136  240.076   9.5101 -0.000000 0.000000 
1 1 1    6    0   83 o  103.420   7.9529   77.695   10.750   70.935   15.295   84.295   15.114   98.411   11.936  108.428   10.513 -0.000000 0.000000 
1 1 1    6    0   84 o   46.184   19.578   22.245   12.416   22.245   12.416   0.0000   0.0000   46.184   19.578   46.184   19.578 -0.000000 0.000000 
1 1 1    6    0   85 o   66.619   11.813   37.061   9.2559   48.783   13.909   27.743   12.400   79.145   14.373   54.094   18.750 -0.000000 0.000000 
1 1 1    6    0   86 o   79.300   13.622   48.519   13.342   0.0000   0.0000   48.519   13.342   79.300   13.622   79.300   13.622 -0.000000 0.000000 
1 1 1    6    0   87 o   38.714   19.676   17.182   12.928   17.182   12.928   0.0000   0.0000   38.714   19.676   38.714   19.676 -0.000000 0.000000 
1 1 1    6    0   88 o   35.149   13.021   13.466   8.5866   19.104   12.275   8.0619   12.016   41.284   19.456   29.014   17.312 -0.000000 0.000000 
1 1 1    6    0   89 o   24.014   10.942   1.9749   8.2225   1.5488   12.027   2.3489   11.267   24.056   15.586   23.972   15.361 -0.000000 0.000000 
1 1 1    6    0   90 o   57.510   13.172   31.392   9.2371   37.124   13.308   26.062   12.832   65.010   17.479   50.010   19.710 -0.000000 0.000000 
1 1 1    6    0   91 o   40.383   13.745   18.998   8.7364   20.056   12.226   17.894   12.488   41.873   19.443   38.892   19.432 -0.000000 0.000000 
1 1 1    6    0   92 o  148.257   10.404  159.603   20.666   0.0000   0.0000  159.603   20.666  148.257   10.404  148.257   10.404 -0.000000 0.000000 
1 1 1    6    0   93 o   17.493   12.321 -10.5288   11.501   0.0000   0.0000 -10.5288   11.501   17.493   12.321   17.493   12.321 -0.000000 0.000000 
1 1 1    6    0   94 o   71.465   17.765   45.771   14.889   0.0000   0.0000   45.771   14.889   71.465   17.765   71.465   17.765 -0.000000 0.000000 
1 1 1    6    1    0 o  363.124   6.1580  895.268   28.532  889.441   49.464  898.173   34.928  362.212   10.077  364.036   7.0802 -1.824402 12.31592 
1 1 1    6    1    1 o  648.790   9.4017  2858.60   77.941  2843.55  134.774  2866.17   95.537  647.399   15.362  650.181   10.843 -2.781372 18.80340 
1 1 1    6    1    2 o  1591.41   20.279 17278.27  379.357 17159.00  754.883 17318.57  438.789  1585.91   35.125  1596.92   20.276 -11.00281 40.55745 
1 1 1    6    1    3 o  375.111   5.0951  953.664   25.899  949.893   36.563  957.463   36.691  374.366   7.2072  375.855   7.2038 -1.488739 10.19012 
1 1 1    6    1    4 o  655.169   7.7241  2910.47   68.578  2911.73   97.004  2909.21   96.963  655.311   10.923  655.027   10.924 0.2834473 15.44814 
1 1 1    6    1    5 o  820.095   9.3880  4561.62  104.329  4595.68  148.230  4528.17  146.867  823.128   13.289  817.062   13.264 6.066223 18.77595 
1 1 1    6    1    6 o  935.658   10.580  5939.23  134.137  6011.20  191.146  5869.39  188.283  941.240   14.986  930.076   14.939 11.16461 21.15979 
1 1 1    6    1    7 o  719.505   8.3836  3506.84   81.693  3634.65  118.028  3389.29  113.187  732.074   11.897  706.937   11.815 25.13751 16.76722 
1 1 1    6    1    8 o  1100.44   12.298  8222.04  183.390  8259.13  260.168  8185.42  258.544  1102.91   17.407  1097.98   17.376 4.928589 24.59574 
1 1 1    6    1    9 o  1242.80   16.932 10522.01  269.087 10470.67  464.462 10547.95  330.136  1239.65   27.648  1245.95   19.553 -6.297974 33.86349 
1 1 1    6    1   10 o  346.933   5.9199  809.183   26.204  836.055   45.870  796.166   31.926  351.142   9.6398  342.724   6.8741 8.417603 11.83974 
1 1 1    6    1   11 o  945.674   13.099  6095.40  158.669  6020.54  272.465  6133.82  195.179  940.814   21.371  950.534   15.152 -9.720581 26.19766 
1 1 1    6    1   12 o  514.477   6.3633  1794.71   44.363  1782.58   62.481  1807.03   63.001  512.726   8.9924  516.229   9.0058 -3.503418 12.72666 
1 1 1    6    1   13 o  313.389   4.6165  664.745   19.589  703.603   28.290  628.955   27.150  322.175   6.4797  304.604   6.5774 17.57141 9.233070 
1 1 1    6    1   14 o  275.796   4.3204  515.521   16.146  507.755   22.667  523.518   23.004  273.688   6.1116  277.904   6.1083 -4.215668 8.640732 
1 1 1    6    1   15 o  431.911   5.6117  1264.95   32.845  1256.41   46.244  1273.64   46.657  430.440   7.9279  433.382   7.9445 -2.942047 11.22347 
1 1 1    6    1   16 o  625.424   9.1560  2669.73   73.364  2697.61   90.356  2615.79  125.678  630.484   10.575  620.364   14.950 10.11963 18.31205 
1 1 1    6    1   17 o  518.510   9.0936  1825.88   63.891  1854.41   91.018  1798.17   89.708  522.503   12.855  514.518   12.866 7.984253 18.18724 
1 1 1    6    1   18 f  184.929   4.7008  236.693   11.092  247.106   13.731  217.136   18.818  190.928   5.3069  178.931   7.7607 11.99734 9.401645 
1 1 1    6    1   19 o  734.320   10.471  3670.76   98.328  3679.83  120.639  3652.80  169.715  736.097   12.094  732.543   17.096 3.554016 20.94160 
1 1 1    6    1   20 o  745.883   8.6599  3773.14   87.467  3921.49  126.669  3637.93  120.926  759.870   12.301  731.896   12.192 27.97314 17.31974 
1 1 1    6    1   21 o  288.094   4.4644  562.622   17.428  555.710   24.469  569.740   24.829  286.299   6.3068  289.890   6.3204 -3.591064 8.928741 
1 1 1    6    1   22 o  1025.40   11.549  7146.63  160.429  7307.62  230.179  6994.55  223.719  1036.61   16.386  1014.18   16.278 22.42358 23.09701 
1 1 1    6    1   23 o  636.873   9.2926  2760.02   75.720  2736.43  130.464  2772.01   92.983  634.588   15.171  639.158   10.735 -4.569885 18.58515 
1 1 1    6    1   24 o  1211.37   19.101  9983.53  313.564   0.0000   0.0000  9983.53  313.564  ?   ?   1211.37   19.101      ?      ? 
1 1 1    6    1   25 o  637.824   9.2790  2737.16   75.195  2830.44  132.730  2693.07   91.251  645.569   15.172  630.079   10.687 15.48999 18.55807 
1 1 1    6    1   26 o  799.257   13.033  4341.45  141.150  4394.66  201.138  4289.82  198.127  804.078   18.459  794.436   18.404 9.641479 26.06595 
1 1 1    6    1   27 o  385.058   5.2795  1004.97   27.547  992.079   38.664  1018.25   39.256  382.552   7.4583  387.565   7.4744 -5.013031 10.55903 
1 1 1    6    1   28 o  1157.87   12.943  9103.87  203.003  9333.77  291.957  8888.69  282.458  1172.00   18.383  1143.74   18.224 28.25659 25.88510 
1 1 1    6    1   29 o  651.751   10.943  2881.07   96.645  2881.07   96.645   0.0000   0.0000  651.751   10.943  ?   ?       ?      ? 
1 1 1    6    1   30 o  376.977   6.4071  967.970   30.941  949.967   53.047  977.253   38.092  374.265   10.459  379.689   7.4033 -5.423798 12.81427 
1 1 1    6    1   31 o  388.607   6.5092  1017.37   32.262  1043.40   56.415  1004.72   39.327  392.230   10.614  384.983   7.5383 7.246796 13.01832 
1 1 1    6    1   32 o  703.266   8.2719  3354.03   78.819  3296.19  110.187  3414.63  112.791  697.062   11.665  709.470   11.732 -12.40875 16.54383 
1 1 1    6    1   33 o  727.249   12.074  3588.38  118.996   0.0000   0.0000  3588.38  118.996  ?   ?   727.249   12.074      ?      ? 
1 1 1    6    1   34 o  824.068   11.715  4704.30  125.324  4960.91  158.657  4278.52  204.368  854.887   13.695  793.248   19.012 61.63873 23.43078 
1 1 1    6    1   35 o  979.310   13.596  6532.23  170.256  6550.60  208.895  6495.87  293.841  981.990   15.698  976.629   22.202 5.361023 27.19127 
1 1 1    6    1   36 o  416.507   5.5961  1176.13   31.584  1162.80   44.388  1189.80   44.950  414.117   7.9096  418.897   7.9185 -4.779724 11.19218 
1 1 1    6    1   37 o  798.025   11.332  4353.33  116.003  4407.15  143.132  4250.32  198.026  805.661   13.110  790.388   18.488 15.27307 22.66479 
1 1 1    6    1   38 o  447.775   8.3104  1359.77   50.427  1359.77   50.427   0.0000   0.0000  447.775   8.3104  ?   ?       ?      ? 
1 1 1    6    1   39 o  202.336   4.1956  277.533   11.504  278.821   16.263  276.243   16.275  202.806   5.9174  201.866   5.9496 0.9403534 8.391235 
1 1 1    6    1   40 o  949.452   13.252  6134.13  160.581  6156.29  278.828  6123.13  196.426  949.910   21.661  948.993   15.274 0.9171143 26.50434 
1 1 1    6    1   41 o  693.392   10.061  3256.78   88.857  3302.24  155.306  3234.66  108.342  696.596   16.452  690.188   11.584 6.407410 20.12111 
1 1 1    6    1   42 o  258.293   4.4868  452.326   15.704  446.607   22.098  458.161   22.322  256.644   6.3538  259.943   6.3368 -3.299011 8.973599 
1 1 1    6    1   43 o  472.785   8.6808  1516.79   55.617  1516.79   55.617   0.0000   0.0000  472.785   8.6808  ?   ?       ?      ? 
1 1 1    6    1   44 o  478.818   6.1870  1554.68   40.127  1506.21   55.782  1606.66   57.767  471.092   8.7379  486.544   8.7615 -15.45236 12.37396 
1 1 1    6    1   45 o  193.238   4.2414  253.126   11.103  263.090   15.862  243.555   15.545  196.966   5.9428  189.509   6.0533 7.456650 8.482867 
1 1 1    6    1   46 o  607.592   7.4051  2508.45   60.968  2484.08   85.694  2533.42   86.760  604.607   10.459  610.576   10.486 -5.969604 14.81021 
1 1 1    6    1   47 o  572.120   9.9840  2224.32   77.406  2224.32   77.406   0.0000   0.0000  572.120   9.9840  ?   ?       ?      ? 
1 1 1    6    1   48 o  423.914   11.408  1222.70   65.533  1222.70   65.533   0.0000   0.0000  423.914   11.408  ?   ?       ?      ? 
1 1 1    6    1   49 f  366.634   7.4797  912.572   37.162  912.572   37.162   0.0000   0.0000  366.634   7.4797  ?   ?       ?      ? 
1 1 1    6    1   50 o  113.706   4.5462   87.819   6.9839   96.635   9.9546   79.272   9.8006  119.339   6.1555  108.073   6.6920 11.26572 9.092414 
1 1 1    6    1   51 o  138.386   8.4779  130.138   15.899   0.0000   0.0000  130.138   15.899  ?   ?   138.386   8.4779      ?      ? 
1 1 1    6    1   52 o  237.102   5.4565  383.902   16.581  388.172   20.434  375.670   28.373  239.144   6.3052  235.059   8.9071 4.085297 10.91299 
1 1 1    6    1   53 o  363.293   5.2853  896.482   26.018  887.413   36.517  905.832   37.079  361.430   7.4557  365.157   7.4933 -3.726929 10.57058 
1 1 1    6    1   54 o  498.481   7.9404  1719.93   50.947  1781.41   63.518  1609.04   85.310  511.681   9.1605  485.280   12.973 26.40088 15.88085 
1 1 1    6    1   55 o  349.769   5.2011  830.919   24.646  855.733   35.267  807.232   34.457  354.873   7.3335  344.664   7.3773 10.20929 10.40219 
1 1 1    6    1   56 o  361.055   5.3021  885.825   25.938  903.769   37.049  868.574   36.326  364.640   7.4977  357.469   7.4989 7.170654 10.60419 
1 1 1    6    1   57 o  215.633   5.5978  322.315   15.334  298.271   26.296  334.702   18.875  209.273   9.2724  221.994   6.2741 -12.72073 11.19567 
1 1 1    6    1   58 o  296.852   4.8837  598.842   19.645  591.172   27.662  606.646   27.904  294.932   6.9212  298.771   6.8919 -3.838898 9.767365 
1 1 1    6    1   59 o  184.164   4.4259  230.409   11.046  230.466   15.655  230.353   15.587  184.186   6.2721  184.143   6.2463 0.4298401E-01 8.851871 
1 1 1    6    1   60 o  388.526   5.5326  1027.20   29.129  1019.45   41.081  1035.04   41.308  387.050   7.8324  390.002   7.8160 -2.951904 11.06513 
1 1 1    6    1   61 o  401.108   5.6492  1094.69   30.698  1064.11   42.851  1126.92   43.999  395.355   7.9982  406.861   7.9801 -11.50586 11.29840 
1 1 1    6    1   62 o  184.985   4.5477  232.593   11.399  233.876   16.228  231.342   16.017  185.486   6.4560  184.483   6.4068 1.003006 9.095406 
1 1 1    6    1   63 o  178.233   4.6330  216.130   11.167  198.715   15.692  233.997   15.895  170.933   6.7744  185.533   6.3220 -14.59972 9.266026 
1 1 1    6    1   64 o  349.569   6.4891  839.990   29.095  814.870   49.566  853.196   35.939  345.136   10.598  354.003   7.4915 -8.867462 12.97825 
1 1 1    6    1   65 o  207.074   4.5790  291.607   12.848  285.159   18.077  298.188   18.263  204.756   6.5149  209.391   6.4362 -4.635117 9.157981 
1 1 1    6    1   66 o   59.292   7.6151   24.999   5.8691   32.314   8.3066   17.707   8.2938   68.796   8.9099   49.788   12.352 19.00822 15.23012 
1 1 1    6    1   67 o  174.056   5.5782  205.553   12.472  203.354   15.326  209.863   21.461  172.859   6.5427  175.253   9.0365 -2.394424 11.15637 
1 1 1    6    1   68 o  310.739   5.0802  658.049   21.392  657.775   30.224  658.324   30.282  310.676   7.1790  310.803   7.1899 -0.1269531 10.16031 
1 1 1    6    1   69 o  109.385   6.4219   79.740   8.9831   75.672   10.893   88.388   15.883  105.302   7.6333  113.469   10.329 -8.167091 12.84389 
1 1 1    6    1   70 o  215.371   4.6674  316.171   13.622  316.958   19.228  315.378   19.301  215.645   6.5798  215.098   6.6216 0.5461121 9.334868 
1 1 1    6    1   71 o  193.524   4.6517  255.465   12.192  244.158   17.163  266.980   17.321  189.179   6.6950  197.869   6.4598 -8.690613 9.303350 
1 1 1    6    1   72 o  168.214   5.7828  193.803   12.323  194.258   21.685  193.586   14.975  168.020   9.5239  168.408   6.5619 -0.3876953 11.56564 
1 1 1    6    1   73 o  129.889   4.9382  115.372   8.6911  113.012   12.230  117.780   12.353  128.541   7.0212  131.237   6.9459 -2.696213 9.876348 
1 1 1    6    1   74 o  152.421   6.7475  158.958   13.937  158.958   13.937   0.0000   0.0000  152.421   6.7475  ?   ?       ?      ? 
1 1 1    6    1   75 o  143.001   4.8032  140.119   9.3047  135.424   13.123  144.865   13.195  140.570   6.8891  145.433   6.6952 -4.862869 9.606486 
1 1 1    6    1   76 o   68.439   6.9686   33.542   6.1055   24.471   8.6094   42.718   8.6598   58.179   11.328   78.700   8.1199 -20.52090 13.93724 
1 1 1    6    1   77 o  141.080   4.7994  136.937   9.1594  128.033   12.982  145.762   12.925  136.439   7.0214  145.721   6.5451 -9.281708 9.598860 
1 1 1    6    1   78 o  136.848   9.4440  130.767   17.514  130.767   17.514   0.0000   0.0000  136.848   9.4440  ?   ?       ?      ? 
1 1 1    6    1   79 o   49.552   8.4796   18.383   5.6979   14.286   8.2167   22.178   7.9083   44.016   12.926   55.087   10.979 -11.07086 16.95922 
1 1 1    6    1   80 f  146.250   4.8264  147.892   9.5437  160.562   13.591  135.568   13.404  152.536   6.5752  139.965   7.0672 12.57106 9.652878 
1 1 1    6    1   81 o   98.354   6.6954   70.170   8.3342   74.172   10.311   62.628   14.156  103.304   7.3653   93.405   11.183 9.898705 13.39087 
1 1 1    6    1   82 o   63.973   7.3581   29.776   6.1651   34.904   8.8014   24.836   8.6384   70.209   9.2507   57.737   11.445 12.47240 14.71623 
1 1 1    6    1   83 o   75.018   9.0599   39.936   9.2102   39.936   9.2102   0.0000   0.0000   75.018   9.0599  ?   ?       ?      ? 
1 1 1    6    1   84 f   72.983   7.7367   36.258   7.2454   47.048   13.012   31.409   8.7227   79.804   12.032   66.161   9.7290 13.64344 15.47342 
1 1 1    6    1   85 o   56.504   9.6613   23.518   6.9178   30.479   12.433   20.396   8.3256   61.520   15.039   51.487   12.132 10.03304 19.32255 
1 1 1    6    1   86 o  131.705   5.0885  121.834   9.0807  122.616   12.965  121.082   12.723  132.089   7.2429  131.320   7.1494 0.7683258 10.17709 
1 1 1    6    1   87 o   79.570   6.5252   45.869   6.9043   35.745   9.6289   56.583   9.9053   69.976   10.154   89.163   8.1979 -19.18697 13.05035 
1 1 1    6    1   88 o   72.652   7.0096   38.672   6.8620   42.844   9.6691   34.439   9.7401   76.941   9.2735   68.363   10.514 8.578033 14.01922 
1 1 1    6    1   89 o   49.120   8.7688   20.650   6.9601   4.3221   11.355   30.477   8.8088   33.887   14.336   64.352   10.101 -30.46488 17.53759 
1 1 1    6    1   90 o   36.126   10.404   7.3501   7.9786   5.7556   10.704   9.3439   11.969   34.181   14.150   38.071   15.257 -3.889515 20.80864 
1 1 1    6    1   91 o  102.518   7.1232   78.224   9.4841   78.718   15.752   77.943   11.878  101.390   11.465  103.647   8.4571 -2.256607 14.24635 
1 1 1    6    1   92 o   52.694   9.8570   25.461   7.4782   15.561   12.726   30.683   9.2421   42.921   16.129   62.467   11.335 -19.54612 19.71398 
1 1 1    6    1   93 o   29.019   9.4228  -2.8191   8.4492  -4.5443   11.705  -0.9419   12.209   27.821   12.921   30.217   13.719 -2.395327 18.84552 
1 1 1    6    1   94 o   22.955   11.225 -15.8583   11.612 -15.8583   11.612   0.0000   0.0000   22.955   11.225  ?   ?       ?      ? 
1 1 1    6    1   95 o  158.592   10.732  199.396   23.065  199.396   23.065   0.0000   0.0000  158.592   10.732  ?   ?       ?      ? 
1 1 1    6    1   96 o   35.726   15.270   9.8120   13.113   9.8120   13.113   0.0000   0.0000   35.726   15.270  ?   ?       ?      ? 
1 1 1    6    2    0 f  261.213   8.5813  462.519   30.376   0.0000   0.0000  462.519   30.376  ?   ?   261.213   8.5813      ?      ? 
1 1 1    6    2    1 o  2183.12   48.216 32742.67  1426.43   0.0000   0.0000 32742.67  1426.43  ?   ?   2183.12   48.216      ?      ? 
1 1 1    6    2    2 o  1091.45   17.311  8086.31  256.047   0.0000   0.0000  8086.31  256.047  ?   ?   1091.45   17.311      ?      ? 
1 1 1    6    2    3 o  1136.15   25.427  8781.42  391.490   0.0000   0.0000  8781.42  391.490  ?   ?   1136.15   25.427      ?      ? 
1 1 1    6    2    4 o   91.892   7.4167   57.235   9.2357   0.0000   0.0000   57.235   9.2357  ?   ?    91.892   7.4167      ?      ? 
1 1 1    6    2    5 o  1040.45   16.585  7348.32  233.839   0.0000   0.0000  7348.32  233.839  ?   ?   1040.45   16.585      ?      ? 
1 1 1    6    2    6 o  559.727   8.3404  2121.62   59.534  2134.33  103.640  2115.35   72.730  560.886   13.636  558.568   9.6085 2.318237 16.68084 
1 1 1    6    2    7 o  500.809   7.6649  1700.02   48.958  1703.35   85.126  1698.38   59.847  501.103   12.536  500.515   8.8235 0.5875549 15.32971 
1 1 1    6    2    8 o  463.993   5.8936  1459.50   37.057  1454.80   52.315  1464.23   52.499  463.244   8.3336  464.742   8.3359 -1.498352 11.78712 
1 1 1    6    2    9 o  653.293   7.7116  2894.27   68.266  2929.45   97.232  2860.06   95.869  657.208   10.917  649.379   10.894 7.829041 15.42321 
1 1 1    6    2   10 o  259.111   4.2078  455.049   14.775  454.442   20.837  455.663   20.953  258.937   5.9381  259.284   5.9632 -0.3472900 8.415568 
1 1 1    6    2   11 o  362.361   6.1809  893.047   28.530  898.312   34.892  882.425   49.555  364.024   7.0732  360.697   10.138 3.327148 12.36187 
1 1 1    6    2   12 o  1213.68   19.201 10056.97  315.733  9866.23  440.709 10258.09  452.552  1201.90   27.058  1225.46   27.251 -23.56592 38.40289 
1 1 1    6    2   13 f  261.883   5.2361  467.940   17.509  456.164   30.163  473.924   21.503  259.353   8.5822  264.413   6.0012 -5.060699 10.47229 
1 1 1    6    2   14 o  184.318   4.5325  227.173   10.713  220.896   13.086  239.932   18.656  180.524   5.3492  188.111   7.3184 -7.586792 9.064925 
1 1 1    6    2   15 o  734.998   10.487  3696.83   99.023  3752.33  122.473  3592.06  168.277  743.394   12.157  726.603   17.090 16.79053 20.97311 
1 1 1    6    2   16 o  620.463   7.4016  2612.78   62.233  2615.26   88.004  2610.30   88.018  620.759   10.462  620.168   10.473 0.5908813 14.80313 
1 1 1    6    2   17 f  243.276   4.1355  400.868   13.627  385.478   18.970  417.280   19.589  238.455   5.8705  248.097   5.8264 -9.642670 8.271002 
1 1 1    6    2   18 o  538.960   8.1239  1966.30   55.744  1954.87   67.946  1989.81   97.492  536.763   9.3411  541.156   13.294 -4.392517 16.24787 
1 1 1    6    2   19 f  948.593   13.200  6131.86  159.903  6135.62  195.836  6124.34  276.972  949.888   15.214  947.298   21.576 2.590271 26.40023 
1 1 1    6    2   20 o  578.763   7.0048  2272.86   54.938  2259.85   77.347  2286.10   78.044  577.093   9.8905  580.432   9.9222 -3.339172 14.00968 
1 1 1    6    2   21 o  898.468   10.226  5484.48  124.493  5560.28  177.512  5411.11  174.643  904.572   14.481  892.363   14.442 12.20892 20.45178 
1 1 1    6    2   22 o  457.122   5.8902  1417.04   36.487  1409.30   51.368  1424.92   51.835  455.864   8.3152  458.381   8.3448 -2.517212 11.78046 
1 1 1    6    2   23 f  367.960   7.2106  917.940   35.955  917.940   35.955   0.0000   0.0000  367.960   7.2106  ?   ?       ?      ? 
1 1 1    6    2   24 o  242.055   5.1239  390.806   15.806  415.861   27.919  378.986   19.176  247.652   8.3191  236.458   5.9843 11.19370 10.24786 
1 1 1    6    2   25 o  257.725   8.6398  450.376   30.175  450.376   30.175   0.0000   0.0000  257.725   8.6398  ?   ?       ?      ? 
1 1 1    6    2   26 f  620.424   10.527  2610.71   88.507   0.0000   0.0000  2610.71   88.507  ?   ?   620.424   10.527      ?      ? 
1 1 1    6    2   27 o  239.687   5.9593  389.381   19.356  389.381   19.356   0.0000   0.0000  239.687   5.9593  ?   ?       ?      ? 
1 1 1    6    2   28 o  583.738   8.6631  2297.33   64.405  2353.78  112.910  2270.10   78.412  588.897   14.148  578.580   10.001 10.31775 17.32617 
1 1 1    6    2   29 o  355.244   10.061  855.804   48.435  855.804   48.435   0.0000   0.0000  355.244   10.061  ?   ?       ?      ? 
1 1 1    6    2   30 o  740.232   12.204  3721.76  122.414  3756.17  174.018  3688.04  172.234  743.619   17.269  736.846   17.249 6.772522 24.40760 
1 1 1    6    2   31 f  244.501   8.5839  405.313   28.441   0.0000   0.0000  405.313   28.441  ?   ?   244.501   8.5839      ?      ? 
1 1 1    6    2   32 o  574.865   9.9120  2241.13   77.217  2241.13   77.217   0.0000   0.0000  574.865   9.9120  ?   ?       ?      ? 
1 1 1    6    2   33 o  836.968   9.6307  4754.74  109.231  4772.87  154.790  4736.77  154.165  838.556   13.622  835.379   13.618 3.176819 19.26142 
1 1 1    6    2   34 o  487.467   12.434  1612.58   82.135   0.0000   0.0000  1612.58   82.135  ?   ?   487.467   12.434      ?      ? 
1 1 1    6    2   35 o  489.253   7.6393  1619.27   47.619  1610.31   58.086  1637.63   83.157  487.300   8.7961  491.206   12.493 -3.905823 15.27866 
1 1 1    6    2   36 o  544.693   8.2645  2014.48   57.523  2016.49   70.485  2010.47   99.535  545.245   9.5395  544.140   13.498 1.104187 16.52896 
1 1 1    6    2   37 o  362.742   5.1747  892.114   25.436  886.402   35.807  897.934   36.140  361.570   7.3079  363.914   7.3284 -2.343719 10.34944 
1 1 1    6    2   38 o  923.814   10.536  5793.57  131.817  5614.38  182.605  5988.55  190.478  908.928   14.825  938.699   14.974 -29.77075 21.07142 
1 1 1    6    2   39 o  1090.79   12.274  8096.01  181.428  8051.22  255.565  8141.52  257.603  1087.75   17.338  1093.82   17.379 -6.071655 24.54825 
1 1 1    6    2   40 o  301.360   4.7584  615.258   19.423  590.149   27.054  641.964   27.902  295.020   6.7671  307.701   6.6914 -12.68121 9.516806 
1 1 1    6    2   41 o  477.061   6.1716  1543.66   39.893  1517.32   55.893  1571.01   56.957  472.915   8.7215  481.208   8.7344 -8.293610 12.34319 
1 1 1    6    2   42 o  722.773   10.445  3566.93   96.665  3514.25  165.998  3593.96  118.906  718.232   17.055  727.313   12.064 -9.081116 20.89076 
1 1 1    6    2   43 o  431.259   5.7649  1261.86   33.690  1253.37   47.495  1270.46   47.798  429.799   8.1545  432.719   8.1511 -2.920074 11.52982 
1 1 1    6    2   44 o  527.738   6.6268  1890.85   47.392  1885.34   66.887  1896.41   67.159  526.966   9.3664  528.510   9.3771 -1.543579 13.25368 
1 1 1    6    2   45 o  574.935   7.0802  2245.22   55.160  2226.23   77.602  2264.60   78.422  572.480   10.003  577.389   10.023 -4.909119 14.16031 
1 1 1    6    2   46 o  700.121   10.158  3271.37   89.606  3526.98  162.178  3159.05  107.506  718.713   16.651  681.528   11.640 37.18445 20.31673 
1 1 1    6    2   47 o  349.404   5.1464  828.369   24.365  841.558   34.753  815.619   34.170  352.139   7.2827  346.670   7.2735 5.468689 10.29282 
1 1 1    6    2   48 o  575.876   7.1055  2254.59   55.450  2248.71   78.267  2260.51   78.570  575.123   10.042  576.629   10.055 -1.505859 14.21095 
1 1 1    6    2   49 o  260.057   4.5643  458.773   16.082  446.857   22.527  471.159   22.967  256.613   6.4779  263.501   6.4319 -6.888031 9.128676 
1 1 1    6    2   50 o  360.630   5.2501  882.831   25.652  907.151   36.611  859.376   35.954  365.511   7.3914  355.750   7.4580 9.761841 10.50021 
1 1 1    6    2   51 o  422.189   5.7428  1210.36   32.846  1178.96   45.812  1243.58   47.119  416.558   8.1156  427.819   8.1275 -11.26154 11.48561 
1 1 1    6    2   52 o  243.062   6.3959  401.035   21.067  401.035   21.067   0.0000   0.0000  243.062   6.3959  ?   ?       ?      ? 
1 1 1    6    2   53 o  269.278   5.7146  500.122   19.734  516.510   24.479  469.708   33.349  275.815   6.5493  262.741   9.3665 13.07388 11.42910 
1 1 1    6    2   54 o  317.832   4.9581  685.926   21.351  669.247   29.883  703.317   30.515  313.885   7.0255  321.778   6.9980 -7.893585 9.916113 
1 1 1    6    2   55 o  366.936   5.3358  915.110   26.532  914.063   37.456  916.165   37.589  366.727   7.5370  367.145   7.5551 -0.4187317 10.67169 
1 1 1    6    2   56 o   89.317   5.1258   54.275   6.1973   52.003   8.8338   56.477   8.6965   87.467   7.4528   91.167   7.0392 -3.700897 10.25158 
1 1 1    6    2   57 o  265.608   4.6889  479.282   16.875  470.474   23.794  488.196   23.938  263.148   6.6723  268.068   6.5896 -4.919250 9.377738 
1 1 1    6    2   58 o  294.672   6.0115  596.633   22.615  574.285   38.821  608.113   27.824  290.217   9.8710  299.127   6.8641 -8.909332 12.02301 
1 1 1    6    2   59 o  140.560   4.5322  134.233   8.6321  134.974   12.296  133.512   12.121  140.941   6.4380  140.179   6.3808 0.7619019 9.064353 
1 1 1    6    2   60 o  266.061   6.6441  481.163   23.955   0.0000   0.0000  481.163   23.955  ?   ?   266.061   6.6441      ?      ? 
1 1 1    6    2   61 o  360.456   5.3360  884.057   26.063  893.594   37.079  874.743   36.642  362.377   7.5507  358.536   7.5417 3.840759 10.67193 
1 1 1    6    2   62 o  208.718   5.4813  293.434   14.654  306.163   25.499  287.156   17.907  211.908   8.8794  205.529   6.4294 6.379456 10.96270 
1 1 1    6    2   63 o  182.276   4.6192  225.668   11.400  231.502   16.547  220.397   15.728  184.507   6.6179  180.044   6.4461 4.463058 9.238447 
1 1 1    6    2   64 o  141.057   4.6966  135.434   8.9680  128.316   12.690  142.536   12.676  137.337   6.8185  144.777   6.4608 -7.439804 9.393281 
1 1 1    6    2   65 o  187.441   4.5818  238.990   11.635  232.093   16.411  245.961   16.499  184.713   6.5562  190.169   6.4023 -5.455750 9.163689 
1 1 1    6    2   66 o  180.416   4.6317  221.465   11.324  223.865   16.076  219.102   15.952  181.387   6.5403  179.445   6.5601 1.942184 9.263391 
1 1 1    6    2   67 o  164.945   5.7475  184.529   12.087  182.399   14.737  188.906   21.127  163.690   6.6437  166.199   9.3807 -2.509827 11.49508 
1 1 1    6    2   68 o  262.852   6.8070  470.647   24.246  470.647   24.246   0.0000   0.0000  262.852   6.8070  ?   ?       ?      ? 
1 1 1    6    2   69 o  297.678   5.0177  604.233   20.241  608.720   28.735  599.815   28.515  298.775   7.0972  296.582   7.0949 2.192780 10.03532 
1 1 1    6    2   70 o  152.805   4.7806  159.348   9.8822  147.905   13.920  170.976   14.032  147.238   6.9765  158.372   6.5380 -11.13374 9.561219 
1 1 1    6    2   71 o  283.471   4.9276  548.442   18.925  561.998   27.064  535.469   26.475  286.900   6.9610  280.042   6.9763 6.858276 9.855207 
1 1 1    6    2   72 o  117.138   5.0385   93.714   7.9927   96.284   11.564   91.363   11.060  118.665   7.1911  115.611   7.0593 3.053551 10.07698 
1 1 1    6    2   73 o  102.037   6.8856   75.152   8.6011   63.741   15.317   80.407   10.395   95.675   11.814  108.398   7.0763 -12.72311 13.77119 
1 1 1    6    2   74 o  210.553   4.6916  303.338   13.377  288.481   18.811  318.536   19.026  205.298   6.7616  215.808   6.5058 -10.51006 9.383229 
1 1 1    6    2   75 o  142.090   4.8173  138.432   9.2723  135.077   13.170  141.730   13.056  140.355   6.9245  143.824   6.6989 -3.469604 9.634543 
1 1 1    6    2   76 o   87.856   5.7864   53.402   6.8727   50.423   9.8620   56.216   9.5831   85.400   8.5217   90.313   7.8302 -4.912903 11.57287 
1 1 1    6    2   77 o   84.723   7.0483   50.030   7.5329   50.510   13.354   49.806   9.1230   84.548   11.655   84.899   7.9296 -0.3503647 14.09667 
1 1 1    6    2   78 o  146.399   4.7975  147.618   9.5149  143.993   13.486  151.211   13.426  144.575   6.8835  148.224   6.6843 -3.648911 9.594948 
1 1 1    6    2   79 o   78.666   6.1154   43.148   6.5161   45.057   9.3123   41.317   9.1210   80.397   8.5475   76.936   8.7484 3.460640 12.23087 
1 1 1    6    2   80 o   87.147   6.9151   53.747   7.9407   54.206   10.154   53.025   12.742   88.053   8.5093   86.240   10.903 1.812958 13.83020 
1 1 1    6    2   81 o   52.102   10.840   20.821   8.4449   27.714   12.022   14.106   11.865   59.709   14.904   44.495   15.745 15.21354 21.68073 
1 1 1    6    2   82 o   71.104   8.0981   36.725   7.2019   35.889   8.8579   38.357   12.370   71.177   9.1835   71.032   13.341 0.1453476 16.19626 
1 1 1    6    2   83 o  105.540   5.3089   77.995   7.5908   76.407   10.775   79.560   10.695  104.425   7.6144  106.655   7.4000 -2.230423 10.61787 
1 1 1    6    2   84 o   30.586   8.5189   4.4265   5.2556   6.9887   7.6201   2.1019   7.2582   33.442   12.498   27.731   11.580 5.710812 17.03782 
1 1 1    6    2   85 o   67.073   7.0958   32.727   6.2179   40.040   9.1280   26.396   8.4932   74.846   8.9997   59.301   10.973 15.54494 14.19163 
1 1 1    6    2   86 o  141.247   6.4253  145.721   11.388  135.685   19.853  150.642   13.902  135.948   10.776  146.547   7.0004 -10.59850 12.85061 
1 1 1    6    2   87 o   48.541   9.0603   18.654   6.1442   14.630   8.7407   22.585   8.6387   43.155   13.474   53.928   12.117 -10.77287 18.12062 
1 1 1    6    2   88 o   46.072   8.5340   16.017   5.9440   6.7403   8.1433   26.596   8.6960   33.179   12.797   58.965   11.294 -25.78653 17.06808 
1 1 1    6    2   89 o   71.656   8.5231   38.936   7.7927   41.740   12.911   37.330   9.7737   72.159   13.705   71.153   10.136 1.005959 17.04621 
1 1 1    6    2   90 o   49.901   10.127   21.118   7.1650   18.619   11.886   22.545   8.9799   46.824   15.796   52.978   12.678 -6.153378 20.25420 
1 1 1    6    2   91 o   72.830   8.8457   42.269   8.1442   40.541   13.323   43.301   10.291   69.451   14.618   76.209   9.9647 -6.758347 17.69139 
1 1 1    6    2   92 o   38.869   10.060   8.6020   7.0531   22.041   12.158   1.7856   8.6590   49.388   15.949   28.350   12.266 21.03866 20.12004 
1 1 1    6    2   93 o   67.160   11.173   40.743   10.094   49.848   14.705   32.630   13.881   75.604   14.882   58.716   16.668 16.88761 22.34554 
1 1 1    6    2   94 o   34.682   14.776   7.1536   12.205   7.1536   12.205   0.0000   0.0000   34.682   14.776  ?   ?       ?      ? 
1 1 1    6    2   95 o   47.428   16.809   23.320   13.527   23.320   13.527   0.0000   0.0000   47.428   16.809  ?   ?       ?      ? 
1 1 1    6    2   96 o   40.550   16.014   16.550   13.002   16.550   13.002   0.0000   0.0000   40.550   16.014  ?   ?       ?      ? 
1 1 1    6    3    0 o  514.961   7.8443  1778.29   51.178  1854.54   91.018  1743.04   61.888  522.869   12.846  507.054   9.0068 15.81436 15.68852 
1 1 1    6    3    1 o  352.556   6.0758  831.675   27.138  873.280   48.343  812.531   32.793  358.879   9.9403  346.233   6.9892 12.64624 12.15152 
1 1 1    6    3    2 o  829.108   13.473  4669.94  151.376  4656.15  213.561  4683.86  214.600  827.880   19.036  830.336   19.072 -2.455811 26.94619 
1 1 1    6    3    3 o  786.889   12.866  4205.39  137.191  4250.93  195.261  4160.99  192.798  791.094   18.214  782.684   18.177 8.409790 25.73269 
1 1 1    6    3    4 o  701.120   11.642  3337.52  110.608  3314.22  155.696  3361.26  157.162  698.651   16.445  703.588   16.483 -4.937317 23.28387 
1 1 1    6    3    5 o  534.581   9.3511  1939.05   67.742  1947.60   95.958  1930.55   95.645  535.757   13.217  533.405   13.232 2.352112 18.70216 
1 1 1    6    3    6 o  490.207   8.7661  1630.34   58.233  1635.83   82.396  1624.86   82.312  491.033   12.383  489.382   12.412 1.650696 17.53227 
1 1 1    6    3    7 o  402.425   7.6598  1098.31   41.769  1115.45   59.439  1081.58   58.708  405.528   10.816  399.321   10.849 6.207031 15.31962 
1 1 1    6    3    8 o  812.658   18.724  4490.10  206.196  4490.10  206.196   0.0000   0.0000  812.658   18.724  ?   ?       ?      ? 
1 1 1    6    3    9 o  381.806   6.3046  984.443   30.762  976.288   37.610  1000.92   53.468  379.480   7.3137  384.132   10.271 -4.651947 12.60919 
1 1 1    6    3   10 o  746.019   10.603  3783.00  101.152  3787.57  124.056  3773.92  174.723  747.013   12.255  745.026   17.306 1.987610 21.20559 
1 1 1    6    3   11 o  886.658   10.104  5330.88  121.284  5127.95  167.078  5556.94  176.340  868.867   14.190  904.449   14.387 -35.58160 20.20785 
1 1 1    6    3   12 o  306.672   4.5811  637.520   19.037  631.531   26.723  643.692   27.126  305.210   6.4610  308.134   6.4962 -2.923798 9.162210 
1 1 1    6    3   13 o  183.199   3.7917  227.558   9.4108  232.342   13.262  222.705   13.356  185.140   5.2860  181.258   5.4376 3.882477 7.583454 
1 1 1    6    3   14 f  193.359   3.8482  253.344   10.081  248.074   14.094  258.868   14.427  191.301   5.4365  195.418   5.4478 -4.117493 7.696394 
1 1 1    6    3   15 o   83.232   3.7323   46.882   4.2057   44.245   5.8245   49.754   6.0792   80.791   5.3200   85.673   5.2363 -4.882027 7.464674 
1 1 1    6    3   16 o  532.102   6.5607  1920.40   47.299  1887.39   66.132  1954.98   67.675  527.424   9.2527  536.781   9.3036 -9.357483 13.12132 
1 1 1    6    3   17 o  252.093   6.0156  430.844   20.551   0.0000   0.0000  430.844   20.551  ?   ?   252.093   6.0156      ?      ? 
1 1 1    6    3   18 o  283.305   4.4496  544.162   17.082  545.352   24.067  542.954   24.250  283.618   6.2619  282.992   6.3234 0.6259155 8.899257 
1 1 1    6    3   19 o  315.520   5.7686  673.012   23.103  669.023   28.079  681.372   40.651  314.129   6.5960  316.911   9.4657 -2.781250 11.53724 
1 1 1    6    3   20 o  801.941   11.325  4329.18  115.027  4253.20  139.146  4493.17  204.422  791.404   12.974  812.479   18.567 -21.07458 22.65078 
1 1 1    6    3   21 o  493.010   6.2151  1648.44   41.522  1650.65   58.620  1646.22   58.822  493.342   8.7683  492.677   8.8104 0.6645203 12.43011 
1 1 1    6    3   22 o  1112.48   12.463  8414.21  187.885  8459.23  266.534  8369.74  264.892  1115.44   17.633  1109.53   17.618 5.912354 24.92591 
1 1 1    6    3   23 f  642.224   7.6579  2797.94   66.647  2795.95   94.094  2799.94   94.412  641.996   10.815  642.452   10.844 -0.4555054 15.31584 
1 1 1    6    3   24 o  178.260   3.9109  215.418   9.4451  219.180   13.300  211.590   13.415  179.831   5.4577  176.688   5.6029 3.142654 7.821720 
1 1 1    6    3   26 o  572.315   9.8787  2221.19   76.615   0.0000   0.0000  2221.19   76.615  ?   ?   572.315   9.8787      ?      ? 
1 1 1    6    3   27 o  210.891   4.0906  301.435   11.690  301.725   16.461  301.140   16.603  210.993   5.7572  210.788   5.8126 0.2050781 8.181143 
1 1 1    6    3   28 o  931.773   10.585  5891.12  133.624  6015.62  191.506  5773.00  186.538  941.357   15.012  922.188   14.927 19.16895 21.17012 
1 1 1    6    3   29 o  525.469   6.5576  1870.81   46.677  1819.27   64.919  1925.98   67.161  517.982   9.2485  532.956   9.2991 -14.97327 13.11519 
1 1 1    6    3   30 o  377.590   7.4559  966.504   38.151   0.0000   0.0000  966.504   38.151  ?   ?   377.590   7.4559      ?      ? 
1 1 1    6    3   31 o  404.906   5.4825  1110.51   30.069  1078.52   41.771  1144.91   43.319  398.861   7.7281  410.952   7.7787 -12.09088 10.96506 
1 1 1    6    3   32 o  991.405   13.778  6707.71  175.028  6758.52  215.465  6609.15  300.115  997.532   15.939  985.278   22.477 12.25452 27.55527 
1 1 1    6    3   33 o  568.592   8.5880  2219.67   62.838  2279.65   78.105  2109.60  105.805  579.750   9.9416  557.433   14.007 22.31647 17.17609 
1 1 1    6    3   34 o  294.870   9.2317  589.677   36.889  589.677   36.889   0.0000   0.0000  294.870   9.2317  ?   ?       ?      ? 
1 1 1    6    3   35 o  1446.48   22.823 14347.43  447.357 14465.47  635.933 14231.80  629.433  1452.35   32.311  1440.61   32.242 11.74133 45.64616 
1 1 1    6    3   36 o  563.646   6.9537  2154.41   53.101  2118.94   74.123  2191.80   76.109  558.885   9.7869  568.407   9.8808 -9.521851 13.90733 
1 1 1    6    3   37 o  707.315   10.204  3379.50   91.748  3342.67  111.538  3456.55  161.337  701.727   11.729  712.904   16.700 -11.17676 20.40761 
1 1 1    6    3   38 o  200.411   4.2333  272.266   11.488  287.025   16.363  257.920   16.132  205.768   5.8681  195.053   6.1033 10.71536 8.466700 
1 1 1    6    3   39 o  695.262   8.2402  3282.04   77.636  3270.67  109.553  3293.51  110.037  694.054   11.648  696.471   11.659 -2.417419 16.48038 
1 1 1    6    3   40 o  253.194   6.3120  434.657   21.657  434.657   21.657   0.0000   0.0000  253.194   6.3120  ?   ?       ?      ? 
1 1 1    6    3   41 o  538.221   6.7193  1965.87   49.006  1989.12   69.662  1943.09   68.952  541.372   9.4955  535.070   9.5095 6.302612 13.43854 
1 1 1    6    3   42 o  293.301   4.7174  583.403   18.750  582.157   26.480  584.655   26.553  292.987   6.6695  293.615   6.6734 -0.6277466 9.434832 
1 1 1    6    3   43 o  373.558   6.5234  944.054   31.040  956.867   54.257  937.820   37.845  375.316   10.668  371.800   7.5112 3.516144 13.04687 
1 1 1    6    3   44 o  222.889   5.3277  340.027   15.231  327.838   25.922  346.455   18.824  219.760   8.7043  226.019   6.1459 -6.259338 10.65534 
1 1 1    6    3   45 o  373.516   7.5090  946.754   38.008  946.754   38.008   0.0000   0.0000  373.516   7.5090  ?   ?       ?      ? 
1 1 1    6    3   47 o  446.943   8.3958  1356.60   50.851  1356.60   50.851   0.0000   0.0000  446.943   8.3958  ?   ?       ?      ? 
1 1 1    6    3   48 o   73.122   5.4040   36.321   5.3014   43.404   7.6679   29.834   7.3375   79.966   7.0760   66.278   8.1696 13.68822 10.80792 
1 1 1    6    3   49 o  241.860   6.3543  396.964   20.826  396.964   20.826   0.0000   0.0000  241.860   6.3543  ?   ?       ?      ? 
1 1 1    6    3   50 o  470.657   7.5832  1504.93   45.426  1499.08   55.388  1516.95   79.392  469.638   8.7031  471.675   12.421 -2.036438 15.16642 
1 1 1    6    3   51 o  395.027   5.5272  1060.08   29.586  1074.45   42.017  1045.94   41.668  397.686   7.7966  392.368   7.8366 5.318054 11.05433 
1 1 1    6    3   52 o  582.864   7.2021  2313.01   56.885  2301.10   80.153  2325.10   80.747  581.355   10.174  584.373   10.196 -3.018127 14.40418 
1 1 1    6    3   53 o  305.971   5.9284  631.486   23.157  621.684   28.239  651.610   40.464  302.548   6.8878  309.393   9.6510 -6.844513 11.85674 
1 1 1    6    3   54 o  135.469   5.4553  127.428   9.4495  133.469   11.737  116.293   15.933  140.209   6.1771  130.728   8.9937 9.480408 10.91068 
1 1 1    6    3   55 o  436.012   5.8900  1293.12   34.801  1300.06   49.320  1286.24   49.114  437.177   8.3249  434.846   8.3346 2.330994 11.78006 
1 1 1    6    3   56 o  283.280   4.7824  545.020   18.355  559.888   26.227  530.748   25.696  287.068   6.7419  279.493   6.7845 7.574890 9.564720 
1 1 1    6    3   57 o  365.032   5.3507  906.056   26.468  897.068   37.258  915.212   37.606  363.204   7.5699  366.859   7.5643 -3.655640 10.70150 
1 1 1    6    3   58 o   94.997   5.1723   61.269   6.6503   65.740   9.5977   57.139   9.2232   98.330   7.2027   91.663   7.4252 6.667809 10.34469 
1 1 1    6    3   59 o  355.950   6.4790  849.976   29.218  901.693   52.141  826.304   35.276  363.368   10.589  348.532   7.4689 14.83588 12.95795 
1 1 1    6    3   60 o  158.014   5.4932  167.440   11.049  177.166   19.529  162.861   13.400  161.226   8.9386  154.803   6.3875 6.423111 10.98633 
1 1 1    6    3   61 o   96.493   6.1305   59.345   7.6349   77.291   13.549   50.995   9.2421  106.440   9.3932   86.545   7.8803 19.89529 12.26096 
1 1 1    6    3   62 o  346.452   5.2692  816.210   24.727  847.159   35.578  787.292   34.391  352.802   7.4416  340.103   7.4619 12.69830 10.53841 
1 1 1    6    3   63 o  312.323   5.0335  663.731   21.303  670.188   30.300  657.420   29.957  313.824   7.1247  310.823   7.1121 3.001404 10.06699 
1 1 1    6    3   64 o  153.968   4.6259  161.178   9.6499  164.721   13.808  157.796   13.492  155.620   6.5474  152.315   6.5365 3.305206 9.251733 
1 1 1    6    3   65 o  140.188   6.0804  138.950   10.747  148.907   13.276  120.020   18.305  147.937   6.6224  132.438   10.199 15.49936 12.16073 
1 1 1    6    3   66 o  172.984   5.7874  203.329   12.741  201.789   15.523  206.508   22.306  172.184   6.6527  173.785   9.4719 -1.600433 11.57477 
1 1 1    6    3   67 o  235.498   4.7357  377.572   15.111  369.718   21.226  385.644   21.519  233.010   6.7221  237.985   6.6724 -4.974503 9.471431 
1 1 1    6    3   68 o  290.847   7.0789  576.650   27.901   0.0000   0.0000  576.650   27.901  ?   ?   290.847   7.0789      ?      ? 
1 1 1    6    3   69 o   99.326   6.4460   66.002   8.3487   62.075   10.340   73.358   14.152   95.306   8.0057  103.345   10.105 -8.038696 12.89194 
1 1 1    6    3   70 o  148.139   4.8036  149.724   9.6378  143.258   13.559  156.327   13.702  144.890   6.9058  151.389   6.6789 -6.499054 9.607137 
1 1 1    6    3   71 o  183.533   4.6678  229.912   11.608  226.835   16.425  232.982   16.409  182.297   6.6488  184.770   6.5533 -2.472748 9.335525 
1 1 1    6    3   72 o  153.653   4.7575  161.055   9.8944  172.494   14.292  150.525   13.712  158.902   6.6371  148.405   6.8180 10.49680 9.515059 
1 1 1    6    3   73 o  175.919   4.7113  211.540   11.229  216.041   16.111  207.288   15.658  177.732   6.6893  174.107   6.6363 3.625076 9.422681 
1 1 1    6    3   74 o  144.544   5.8767  137.897   10.741  160.518   19.597  128.186   12.841  152.312   9.4947  136.775   6.9279 15.53656 11.75350 
1 1 1    6    3   75 o  140.263   5.8826  133.128   10.546  143.606   18.547  128.123   12.820  143.876   9.5129  136.650   6.9229 7.226410 11.76527 
1 1 1    6    3   76 o  118.917   5.8710   93.768   9.1207   83.789   11.252  112.888   15.575  110.282   7.5290  127.553   9.0106 -17.27099 11.74204 
1 1 1    6    3   77 f  105.923   6.5789   80.110   8.7267   72.874   15.235   83.644   10.646  101.666   11.058  110.181   7.1303 -8.515602 13.15773 
1 1 1    6    3   78 o  139.914   4.8769  135.103   9.2369  128.861   13.120  141.238   13.007  136.640   7.0853  143.189   6.7033 -6.548782 9.753771 
1 1 1    6    3   79 o   47.655   8.6074   16.842   5.7695   23.030   8.2579   10.940   8.0640   55.964   11.278   39.345   13.006 16.61875 17.21486 
1 1 1    6    3   80 o   43.754   9.9549   13.132   6.4945   10.339   8.0448   18.359   11.005   38.406   12.995   49.101   15.084 -10.69543 19.90984 
1 1 1    6    3   81 o   34.876   8.3843   6.9781   5.2488   14.074   7.6031   0.5177   7.2549   43.275   12.354   26.477   11.338 16.79838 16.76861 
1 1 1    6    3   82 o   74.829   6.3551   39.871   6.3623   32.626   8.9392   47.309   9.0572   67.610   9.7566   82.047   8.1461 -14.43668 12.71025 
1 1 1    6    3   83 o   77.384   7.2577   41.540   7.3307   37.434   9.0465   49.391   12.510   72.482   9.2102   82.286   11.219 -9.804100 14.51535 
1 1 1    6    3   84 o   78.022   6.4741   43.685   6.7839   37.173   9.5659   50.273   9.6221   71.840   9.8260   84.205   8.4324 -12.36531 12.94819 
1 1 1    6    3   85 o  116.298   5.2771   95.298   8.2985   88.170   11.724  102.453   11.747  111.771   7.7407  120.826   7.1746 -9.054428 10.55430 
1 1 1    6    3   86 o  206.128   4.9262  297.947   13.750  282.078   19.189  314.692   19.712  200.389   7.0663  211.867   6.8657 -11.47787 9.852426 
1 1 1    6    3   87 o   77.838   9.2650   43.790   9.7729   0.0000   0.0000   43.790   9.7729  ?   ?    77.838   9.2650      ?      ? 
1 1 1    6    3   88 o   40.944   10.045   13.118   6.8823   9.3860   11.406   15.255   8.6306   38.133   15.019   43.755   13.343 -5.622192 20.08981 
1 1 1    6    3   89 o   73.111   8.7231   41.988   7.9872   39.361   13.226   43.497   10.021   69.176   14.569   77.046   9.5979 -7.870392 17.44624 
1 1 1    6    3   90 o   24.904   8.1711  -4.9138   6.4715  -7.1164   10.500  -3.5645   8.2180   25.593   12.001   24.214   11.093 1.379637 16.34225 
1 1 1    6    3   91 o   40.652   11.060   12.585   8.6240   9.2469   11.695   16.562   12.767   37.246   15.027   44.058   16.233 -6.812466 22.12039 
1 1 1    6    3   92 o   79.236   10.121   52.869   10.600   58.474   15.147   47.488   14.840   84.814   13.178   73.658   15.365 11.15607 20.24208 
1 1 1    6    3   93 o   65.085   11.381   39.203   10.048   33.543   13.983   45.247   14.449   59.211   16.702   70.959   15.464 -11.74778 22.76122 
1 1 1    6    3   94 o   33.509   10.268   5.7646   8.6091   5.7468   12.104   5.7828   12.248   33.451   14.487   33.567   14.555 -0.1155167 20.53630 
1 1 1    6    3   95 f   44.711   16.357   20.518   12.932   20.518   12.932   0.0000   0.0000   44.711   16.357  ?   ?       ?      ? 
1 1 1    6    4    0 o  959.818   13.318  6325.04  164.705  6470.91  204.810  6058.02  277.101  976.154   15.483  943.482   21.673 32.67163 26.63539 
1 1 1    6    4    1 o  662.438   9.5354  2923.23   79.743  2831.21   95.879  3129.71  143.624  646.039   10.952  678.837   15.613 -32.79810 19.07084 
1 1 1    6    4    2 o  896.360   20.473  5466.75  248.689  5466.75  248.689   0.0000   0.0000  896.360   20.473  ?   ?       ?      ? 
1 1 1    6    4    3 o  190.146   4.8273  243.744   11.656  248.955   20.538  241.268   14.157  191.621   7.9090  188.671   5.5371 2.950607 9.654677 
1 1 1    6    4    4 o  231.845   5.0844  365.337   14.973  361.742   26.166  367.087   18.258  230.972   8.3597  232.718   5.7896 -1.746063 10.16881 
1 1 1    6    4    5 o  511.943   7.8325  1772.84   51.065  1794.19   89.267  1762.46   62.257  514.106   12.813  509.779   9.0120 4.327179 15.66504 
1 1 1    6    4    6 o  399.421   6.6108  1077.46   33.506  1068.97   40.690  1095.35   59.050  397.060   7.5623  401.783   10.845 -4.723175 13.22159 
1 1 1    6    4    7 o  588.016   8.7349  2335.70   65.263  2314.27   79.336  2380.56  114.780  584.058   10.024  591.974   14.308 -7.915894 17.46989 
1 1 1    6    4    8 o  272.090   5.4445  507.710   18.794  518.678   22.994  485.632   32.622  276.607   6.1342  267.573   8.9968 9.034149 10.88905 
1 1 1    6    4    9 f  376.401   5.1734  960.681   26.388  965.202   37.353  956.177   37.283  377.286   7.3058  375.517   7.3266 1.768707 10.34670 
1 1 1    6    4   10 o  396.143   5.3423  1064.12   28.678  1055.93   40.324  1072.49   40.793  394.603   7.5409  397.684   7.5694 -3.080078 10.68465 
1 1 1    6    4   11 o  613.035   7.3473  2550.34   61.034  2526.64   85.776  2574.65   86.866  610.153   10.374  615.918   10.407 -5.765930 14.69464 
1 1 1    6    4   12 o  152.432   3.7484  157.440   7.7410  152.909   10.831  162.173   11.068  150.191   5.3214  154.674   5.2805 -4.483093 7.496712 
1 1 1    6    4   13 o  206.403   3.9655  288.808   11.091  289.438   15.614  288.165   15.758  206.631   5.5761  206.175   5.6400 0.4560699 7.931098 
1 1 1    6    4   14 o  393.434   5.3239  1049.74   28.384  1059.07   40.203  1040.46   40.079  395.178   7.5073  391.690   7.5509 3.488098 10.64776 
1 1 1    6    4   15 o  263.075   6.1552  469.209   21.943   0.0000   0.0000  469.209   21.943  ?   ?   263.075   6.1552      ?      ? 
1 1 1    6    4   16 o  511.406   6.3834  1773.73   44.232  1746.13   61.892  1802.55   63.236  507.342   9.0023  515.470   9.0527 -8.127502 12.76688 
1 1 1    6    4   17 o  268.878   4.3746  490.095   15.938  488.692   22.397  491.533   22.686  268.489   6.1558  269.267   6.2172 -0.7778015 8.749147 
1 1 1    6    4   18 o  517.805   6.4511  1818.50   45.264  1803.48   63.602  1833.91   64.432  515.640   9.1021  519.969   9.1441 -4.328918 12.90211 
1 1 1    6    4   19 o  413.156   6.7832  1156.33   35.633  1153.43   43.411  1162.32   62.383  412.442   7.7671  413.871   11.123 -1.429047 13.56646 
1 1 1    6    4   20 o  1209.64   16.573  9969.26  255.827  9960.67  312.993  9986.54  444.040  1210.06   19.087  1209.21   27.098 0.8551025 33.14562 
1 1 1    6    4   21 o  546.097   8.2239  2034.86   57.715  1986.95   98.167  2060.17   71.349  541.036   13.389  551.159   9.5528 -10.12231 16.44771 
1 1 1    6    4   22 o  342.926   6.0377  805.095   26.671  771.972   44.925  823.123   33.144  337.388   9.8260  348.463   7.0187 -11.07501 12.07533 
1 1 1    6    4   23 o  748.290   8.7038  3799.01   88.259  3789.43  124.480  3808.70  125.157  747.343   12.291  749.237   12.327 -1.894592 17.40764 
1 1 1    6    4   24 o  517.045   6.4652  1812.69   45.299  1816.14   63.970  1809.22   64.156  517.539   9.1211  516.550   9.1652 0.9891357 12.93041 
1 1 1    6    4   25 o  244.979   4.2938  406.463   14.249  395.442   19.820  418.253   20.499  241.545   6.0550  248.413   6.0895 -6.868652 8.587505 
1 1 1    6    4   26 o  420.282   6.9118  1212.88   37.387  1148.52   62.874  1248.09   46.502  411.491   11.275  429.073   7.9975 -17.58136 13.82361 
1 1 1    6    4   27 o  133.770   5.0304  126.497   8.5386  105.183   14.203  138.559   10.685  124.557   8.4148  142.983   5.5145 -18.42625 10.06072 
1 1 1    6    4   28 o  428.467   5.6943  1243.38   33.046  1205.43   45.853  1284.39   47.667  421.672   8.0244  435.262   8.0814 -13.59036 11.38858 
1 1 1    6    4   29 o  749.452   10.691  3804.59  102.134  3787.46  124.685  3839.52  178.060  747.148   12.315  751.756   17.479 -4.607910 21.38113 
1 1 1    6    4   30 o  732.644   10.519  3655.46   98.629  3678.41  121.208  3610.49  169.682  736.306   12.148  728.982   17.177 7.323730 21.03802 
1 1 1    6    4   31 o  662.009   7.8755  2973.03   70.651  2993.39  100.123  2952.83   99.711  664.268   11.123  659.750   11.153 4.518494 15.75102 
1 1 1    6    4   32 o  1745.31   19.263 20797.00  455.567 20619.83  640.281 20978.65  648.332  1737.81   27.189  1752.81   27.295 -15.00256 38.52558 
1 1 1    6    4   33 o  1194.01   13.363  9697.73  216.210  9640.11  304.397  9756.40  307.155  1190.44   18.869  1197.58   18.926 -7.144409 26.72554 
1 1 1    6    4   34 o  842.001   9.6854  4813.28  110.499  4894.82  157.774  4734.78  154.808  848.996   13.713  835.006   13.681 13.98993 19.37089 
1 1 1    6    4   35 o  413.032   7.8899  1156.82   44.161  1156.82   44.161   0.0000   0.0000  413.032   7.8899  ?   ?       ?      ? 
1 1 1    6    4   36 o  514.777   6.5010  1797.26   45.345  1776.04   63.550  1819.28   64.722  511.683   9.1650  517.870   9.2225 -6.186981 13.00201 
1 1 1    6    4   37 f  598.609   10.282  2431.62   83.405  2431.62   83.405   0.0000   0.0000  598.609   10.282  ?   ?       ?      ? 
1 1 1    6    4   38 o  367.087   6.4562  919.237   30.344  929.765   37.357  898.818   52.026  370.274   7.4449  363.901   10.550 6.372406 12.91249 
1 1 1    6    4   39 o  383.649   7.5889  997.441   39.417  957.797   54.316  1041.55   57.290  375.614   10.671  391.683   10.794 -16.06906 15.17790 
1 1 1    6    4   40 o  542.442   8.3014  1992.44   57.308  1980.35   69.826  2017.38  100.309  540.166   9.5391  544.719   13.589 -4.553101 16.60273 
1 1 1    6    4   41 o  334.339   6.0889  755.586   26.106  767.710   45.048  749.455   32.034  336.270   9.8856  332.408   7.1115 3.861633 12.17780 
1 1 1    6    4   42 f  473.215   7.5122  1519.35   45.494  1526.69   78.609  1515.66   55.785  473.875   12.241  472.555   8.7114 1.320160 15.02447 
1 1 1    6    4   43 o  178.131   5.2880  216.779   12.017  210.862   20.724  219.775   14.749  176.245   8.6773  180.018   6.0460 -3.773270 10.57593 
1 1 1    6    4   44 o  498.684   7.8349  1687.98   49.888  1698.73   86.620  1682.65   61.025  499.592   12.794  497.776   9.0468 1.815826 15.66980 
1 1 1    6    4   45 o  290.504   4.7368  572.591   18.647  574.369   26.353  570.808   26.390  290.957   6.6837  290.052   6.7140 0.9051208 9.473658 
1 1 1    6    4   46 o  246.779   4.5001  413.158   15.046  425.821   21.379  400.733   21.177  250.528   6.2973  243.029   6.4303 7.498657 9.000267 
1 1 1    6    4   47 o  378.054   6.6123  971.537   31.849  971.795   38.908  971.014   55.445  378.329   7.5891  377.779   10.830 0.5499268 13.22461 
1 1 1    6    4   48 o  318.933   6.1023  696.120   24.836  706.204   30.500  676.274   42.786  322.542   6.9780  315.324   10.013 7.218109 12.20455 
1 1 1    6    4   49 o  585.040   7.2122  2328.85   57.177  2314.20   80.449  2343.80   81.279  583.186   10.180  586.894   10.220 -3.707764 14.42443 
1 1 1    6    4   50 o  286.596   4.7634  557.575   18.497  570.420   26.298  544.999   26.022  289.865   6.6949  283.326   6.7776 6.539459 9.526740 
1 1 1    6    4   51 o  331.793   5.0539  747.682   22.723  746.401   32.048  748.977   32.225  331.509   7.1338  332.078   7.1609 -0.5684814 10.10787 
1 1 1    6    4   52 o  282.361   4.7413  541.406   18.141  547.196   25.712  535.666   25.600  283.866   6.6840  280.856   6.7264 3.010590 9.482599 
1 1 1    6    4   53 o  219.662   4.4455  327.602   13.233  323.624   18.646  331.638   18.783  218.318   6.3024  221.007   6.2714 -2.688980 8.891084 
1 1 1    6    4   54 o  631.771   9.4280  2709.73   75.678  2669.82   91.907  2793.76  133.367  625.661   10.840  637.881   15.429 -12.22046 18.85594 
1 1 1    6    4   55 o  146.413   5.4848  147.506   10.326  151.510   12.826  140.129   17.409  149.358   6.3370  143.469   8.9541 5.889175 10.96967 
1 1 1    6    4   56 o  270.129   4.7196  495.770   17.276  501.097   24.539  490.535   24.327  271.569   6.6679  268.690   6.6811 2.878845 9.439212 
1 1 1    6    4   57 o  273.160   6.7455  507.099   24.970  507.099   24.970   0.0000   0.0000  273.160   6.7455  ?   ?       ?      ? 
1 1 1    6    4   58 o  466.476   7.5417  1450.72   44.413  1583.16   80.276  1392.31   53.316  480.840   12.320  452.113   8.7022 28.72647 15.08331 
1 1 1    6    4   59 o  286.151   4.8852  556.190   18.933  573.518   27.346  540.237   26.239  290.422   6.9483  281.881   6.8690 8.541168 9.770461 
1 1 1    6    4   60 o  231.255   5.6376  358.022   16.544  381.446   29.463  347.234   19.994  236.502   9.1931  226.008   6.5282 10.49319 11.27518 
1 1 1    6    4   62 o  325.981   7.2733  723.215   32.130  723.215   32.130   0.0000   0.0000  325.981   7.2733  ?   ?       ?      ? 
1 1 1    6    4   63 o  198.352   5.6213  266.391   14.246  263.086   17.401  273.108   24.809  196.678   6.5289  200.027   9.1526 -3.348740 11.24265 
1 1 1    6    4   64 o  199.798   5.7132  275.870   14.549  283.621   17.915  260.859   24.931  204.194   6.4744  195.403   9.4152 8.790192 11.42648 
1 1 1    6    4   65 o  323.583   5.1413  712.866   22.539  733.303   32.270  693.401   31.494  328.112   7.2576  319.054   7.2841 9.058014 10.28254 
1 1 1    6    4   66 f  130.024   4.9808  115.360   8.7260  100.101   12.212  131.278   12.473  121.184   7.4364  138.864   6.6282 -17.67940 9.961568 
1 1 1    6    4   67 o  307.950   7.1853  646.476   29.985   0.0000   0.0000  646.476   29.985  ?   ?   307.950   7.1853      ?      ? 
1 1 1    6    4   68 o  146.917   4.7949  147.236   9.5382  141.010   13.538  153.371   13.440  143.809   6.9470  150.025   6.6108 -6.215088 9.589792 
1 1 1    6    4   69 o  160.957   4.7130  176.497   10.274  184.309   14.780  169.191   14.293  164.405   6.6340  157.509   6.6963 6.895996 9.426028 
1 1 1    6    4   70 o  131.223   5.9716  121.515   10.080  130.822   12.723  105.823   16.521  138.438   6.7818  124.008   9.8310 14.43034 11.94325 
1 1 1    6    4   71 o  223.917   4.7187  342.123   14.310  358.160   20.576  327.100   19.915  229.005   6.6304  218.828   6.7159 10.17715 9.437419 
1 1 1    6    4   72 o  235.002   4.7999  377.602   15.284  385.304   21.775  370.122   21.458  237.370   6.7695  232.634   6.8068 4.735321 9.599891 
1 1 1    6    4   73 o   54.076   10.983   21.667   8.4137   19.056   13.553   23.303   10.732   51.827   16.848   56.325   14.095 -4.497986 21.96604 
1 1 1    6    4   74 o  109.959   6.7902   87.110   9.1641   75.621   16.351   92.372   11.065  103.884   11.615  116.034   7.0371 -12.15043 13.58041 
1 1 1    6    4   75 o  182.094   5.8203  230.251   13.396  225.389   23.505  232.591   16.303  180.025   9.6348  184.163   6.5326 -4.137146 11.64060 
1 1 1    6    4   76 o  178.480   4.7701  219.055   11.488  193.406   16.038  246.078   16.462  167.624   7.0603  189.335   6.4162 -21.71039 9.540218 
1 1 1    6    4   77 o  166.948   4.7699  191.910   10.791  191.964   15.341  191.858   15.181  166.958   6.7805  166.939   6.7106 0.1863098E-01 9.539761 
1 1 1    6    4   78 o   75.894   7.6784   38.243   7.5356   32.695   9.1433   49.994   13.306   68.150   9.9004   83.639   11.739 -15.48839 15.35676 
1 1 1    6    4   79 f   54.160   8.1881   21.823   5.8275   19.950   8.3752   23.580   8.1137   51.649   12.166   56.671   10.962 -5.021858 16.37618 
1 1 1    6    4   80 f   88.646   5.8564   55.035   7.0351   54.769   9.9428   55.303   9.9555   88.426   8.2974   88.867   8.2669 -0.4406891 11.71275 
1 1 1    6    4   81 o   49.812   8.5046   18.903   5.7650   14.137   8.1911   23.582   8.1153   43.269   12.955   56.355   11.021 -13.08532 17.00926 
1 1 1    6    4   82 o   90.298   5.7837   57.494   7.0432   50.722   9.8721   64.514   10.052   84.695   8.6014   95.901   7.7344 -11.20686 11.56741 
1 1 1    6    4   83 o   53.363   8.4492   21.735   5.9763   25.094   8.5423   18.514   8.3640   57.747   11.321   48.978   12.546 8.769028 16.89835 
1 1 1    6    4   84 o   63.263   8.7701   30.322   7.0695   30.194   8.8242   30.551   11.813   64.567   10.085   61.960   14.351 2.606995 17.54021 
1 1 1    6    4   85 o   34.053   8.8365   7.0571   5.5991   11.580   7.9409   2.5853   7.8959   39.194   12.904   28.912   12.076 10.28163 17.67301 
1 1 1    6    4   86 o   89.753   7.3758   59.710   8.4090   56.944   14.394   61.144   10.361   86.876   12.226   92.629   8.2542 -5.752457 14.75152 
1 1 1    6    4   87 o   86.568   8.0018   59.047   8.3683   47.279   13.928   65.695   10.469   77.129   13.834   96.007   8.0465 -18.87747 16.00350 
1 1 1    6    4   88 o   60.701   11.461   28.397   9.0821   0.0000   0.0000   28.397   9.0821  ?   ?    60.701   11.461      ?      ? 
1 1 1    6    4   89 o   36.252   10.118   8.2306   7.0346   9.9891   12.066   7.3250   8.6583   38.610   15.371   33.893   13.161 4.716290 20.23533 
1 1 1    6    4   90 o   76.074   10.536   48.505   10.614   40.012   14.837   57.409   15.191   67.231   16.425   84.916   13.201 -17.68540 21.07249 
1 1 1    6    4   91 o   27.316   9.0185  -6.8941   8.3481  -1.4034   11.828 -12.3451   11.785   29.850   13.533   24.783   11.924 5.066839 18.03708 
1 1 1    6    4   92 o   38.530   10.572   8.6044   8.8282  -3.2525   12.181   21.724   12.813   28.935   13.347   48.125   16.399 -19.19040 21.14433 
1 1 1    6    4   93 o   57.081   12.016   32.186   10.042   35.989   14.369   28.554   14.041   60.772   16.857   53.390   17.129 7.381847 24.03236 
1 1 1    6    4   94 o   47.281   11.716   22.650   9.4411   27.732   13.480   17.757   13.227   51.974   16.794   42.587   16.340 9.387634 23.43135 
1 1 1    6    4   95 o   29.545   9.3894  -2.6357   8.5152 -15.5613   11.871   11.062   12.221   22.809   11.194   36.281   15.078 -13.47221 18.77879 
1 1 1    6    5    0 o  228.897   4.1183  355.184   12.774  358.032   18.046  352.323   18.084  229.818   5.7944  227.977   5.8536 1.840958 8.236531 
1 1 1    6    5    1 o  810.071   9.3332  4451.56  102.385  4303.80  141.626  4613.32  148.186  796.018   13.129  824.124   13.269 -28.10535 18.66642 
1 1 1    6    5    2 o  423.779   5.5980  1217.94   32.148  1220.51   45.433  1215.36   45.495  424.228   7.9030  423.331   7.9305 0.8969727 11.19599 
1 1 1    6    5    3 o  511.842   6.4002  1776.32   44.382  1824.20   63.596  1730.88   61.966  518.561   9.0500  505.123   9.0526 13.43799 12.80048 
1 1 1    6    5    4 o  310.447   4.6708  653.271   19.647  642.656   27.503  664.333   28.076  307.873   6.5921  313.022   6.6189 -5.148407 9.341617 
1 1 1    6    5    5 o  696.393   8.1847  3292.55   77.238  3315.91  109.601  3269.51  108.866  698.846   11.573  693.939   11.577 4.906738 16.36939 
1 1 1    6    5    6 o   98.418   3.8445   65.444   5.1147   59.345   7.0325   72.292   7.4524   93.565   5.5465  103.270   5.3252 -9.704865 7.689022 
1 1 1    6    5    7 o  429.587   6.5588  1234.68   32.555  1219.12   37.201  1285.56   67.274  424.037   6.4739  435.137   11.409 -11.09927 13.11760 
1 1 1    6    5    8 o  395.564   6.2656  1069.44   28.900  1077.21   33.329  1045.92   58.015  398.605   6.1702  392.523   10.907 6.081848 12.53110 
1 1 1    6    5    9 o  385.335   6.1195  995.289   27.277  984.497   31.198  1030.30   56.196  381.071   6.0415  389.598   10.644 -8.527618 12.23907 
1 1 1    6    5   10 f  172.564   4.5378  198.162   8.9407  195.057   10.155  208.861   18.853  169.644   4.4174  175.484   7.9280 -5.840302 9.075636 
1 1 1    6    5   11 o  175.519   4.8557  209.225   10.736  209.802   12.988  207.980   19.078  175.926   5.4480  175.113   8.0394 0.8127747 9.711412 
1 1 1    6    5   12 o  371.030   5.1664  933.157   25.971  960.065   37.106  907.317   36.361  376.272   7.2771  365.787   7.3355 10.48492 10.33275 
1 1 1    6    5   13 o  184.438   3.9353  230.645   9.8327  237.172   13.899  224.105   13.912  187.052   5.4832  181.824   5.6463 5.227966 7.870613 
1 1 1    6    5   14 o  405.592   5.4501  1115.49   29.955  1127.03   42.471  1104.06   42.255  407.681   7.6875  403.502   7.7277 4.178192 10.90024 
1 1 1    6    5   15 f  141.456   3.8351  135.541   7.3491  131.487   10.246  139.838   10.547  139.278   5.4284  143.634   5.4187 -4.355225 7.670105 
1 1 1    6    5   16 o  201.038   4.8762  275.562   12.659  268.795   21.309  279.253   15.737  199.102   7.8976  202.973   5.7215 -3.871628 9.752321 
1 1 1    6    5   17 o  126.615   4.6323  108.834   7.6477  108.083   12.656  109.265   9.5983  126.262   7.3967  126.967   5.5785 -0.7048798 9.264521 
1 1 1    6    5   18 o  1111.99   17.685  8428.28  266.442  8289.33  372.053  8574.56  381.745  1102.62   24.900  1121.36   25.121 -18.74756 35.37077 
1 1 1    6    5   19 o  772.395   10.984  4012.04  107.413  3942.71  129.901  4161.92  190.999  762.249   12.576  782.540   18.011 -20.29102 21.96702 
1 1 1    6    5   20 o  644.160   10.891  2814.51   95.073   0.0000   0.0000  2814.51   95.073  ?   ?   644.160   10.891      ?      ? 
1 1 1    6    5   21 o  647.303   7.7189  2841.69   67.705  2816.41   95.136  2867.63   96.375  644.387   10.895  650.218   10.938 -5.830688 15.43775 
1 1 1    6    5   22 o  1321.87   14.691 11882.07  263.145 11795.94  370.188 11970.05  374.128  1317.04   20.742  1326.70   20.810 -9.668701 29.38116 
1 1 1    6    5   23 o  524.325   6.5626  1864.06   46.629  1878.28   66.075  1849.95   65.811  526.317   9.2642  522.332   9.2976 3.985352 13.12520 
1 1 1    6    5   25 o  289.811   5.6087  567.123   20.694  562.821   25.210  576.008   36.232  288.159   6.4559  291.463   9.1734 -3.304016 11.21740 
1 1 1    6    5   26 o  555.932   9.6775  2097.07   72.899  2128.40  103.947  2066.75  102.264  560.016   13.697  551.847   13.675 8.168823 19.35491 
1 1 1    6    5   27 o  1217.02   19.231 10068.60  317.164   0.0000   0.0000 10068.60  317.164  ?   ?   1217.02   19.231      ?      ? 
1 1 1    6    5   28 o  314.348   4.8130  669.894   20.500  678.880   28.927  660.828   29.057  316.467   6.7452  312.229   6.8674 4.238190 9.625946 
1 1 1    6    5   29 o  912.260   10.400  5650.64  128.563  5633.70  181.275  5667.79  182.362  910.887   14.686  913.633   14.729 -2.746399 20.79941 
1 1 1    6    5   30 o  388.630   5.3812  1024.04   28.338  1035.94   40.004  1012.05   40.148  390.898   7.5519  386.361   7.6681 4.537323 10.76247 
1 1 1    6    5   31 o  419.720   5.6515  1193.50   32.130  1161.21   44.636  1228.22   46.287  413.835   7.9593  425.606   8.0254 -11.77036 11.30298 
1 1 1    6    5   32 o  687.140   8.1433  3201.05   75.786  3109.79  105.066  3300.03  109.422  676.946   11.453  697.333   11.579 -20.38672 16.28658 
1 1 1    6    5   33 o  662.967   7.9137  2982.43   71.091  2956.08   99.772  3009.60  101.323  659.997   11.155  665.938   11.228 -5.940979 15.82732 
1 1 1    6    5   34 o  614.385   7.4380  2561.37   61.926  2555.29   87.231  2567.56   87.926  613.651   10.490  615.118   10.548 -1.466492 14.87609 
1 1 1    6    5   35 o  262.114   4.5303  465.719   16.089  462.516   22.513  469.062   23.000  261.194   6.3605  263.034   6.4527 -1.839539 9.060521 
1 1 1    6    5   36 o  729.107   8.5600  3609.55   84.571  3579.73  118.805  3640.18  120.415  726.058   12.075  732.155   12.137 -6.096252 17.12005 
1 1 1    6    5   37 o  158.360   6.1220  170.023   13.138   0.0000   0.0000  170.023   13.138  ?   ?   158.360   6.1220      ?      ? 
1 1 1    6    5   38 o  894.471   14.536  5460.08  176.154  5369.70  246.066  5555.09  252.288  886.908   20.473  902.034   20.639 -15.12585 29.07119 
1 1 1    6    5   39 o  576.470   8.6973  2271.82   64.505  2214.91  109.394  2302.16   79.868  570.627   14.147  582.313   10.121 -11.68549 17.39457 
1 1 1    6    5   40 o  263.576   4.5642  471.198   16.301  476.900   22.979  465.423   23.127  265.183   6.3943  261.969   6.5147 3.214905 9.128439 
1 1 1    6    5   41 o  429.308   5.7863  1250.74   33.661  1267.56   47.723  1234.09   47.487  432.183   8.1484  426.433   8.2175 5.750092 11.57259 
1 1 1    6    5   42 o  409.303   5.6248  1136.47   31.191  1171.67   44.616  1102.82   43.621  415.501   7.9239  403.104   7.9854 12.39767 11.24963 
1 1 1    6    5   43 o  492.676   7.8208  1679.11   49.886  1548.52   82.170  1755.35   62.779  476.966   12.713  508.386   9.1125 -31.42029 15.64151 
1 1 1    6    5   44 o  334.276   7.2430  758.161   32.779  796.174   47.587  723.839   45.218  342.233   10.261  326.320   10.225 15.91284 14.48600 
1 1 1    6    5   45 o  304.358   9.7899  629.673   40.378   0.0000   0.0000  629.673   40.378  ?   ?   304.358   9.7899      ?      ? 
1 1 1    6    5   46 o  390.184   5.4860  1033.69   29.003  1057.19   41.235  1010.67   40.802  394.578   7.7117  385.790   7.8046 8.787842 10.97193 
1 1 1    6    5   47 o  167.287   6.1625  189.898   13.970   0.0000   0.0000  189.898   13.970  ?   ?   167.287   6.1625      ?      ? 
1 1 1    6    5   48 o  691.983   8.2653  3262.56   77.501  3234.76  108.824  3291.17  110.400  689.004   11.655  694.963   11.723 -5.959595 16.53067 
1 1 1    6    5   49 o  505.102   6.4909  1734.97   44.426  1760.30   63.141  1710.14   62.521  508.757   9.1584  501.447   9.2006 7.309235 12.98177 
1 1 1    6    5   50 o  192.730   4.4116  252.143   11.521  252.096   16.205  252.192   16.383  192.713   6.2054  192.746   6.2723 -0.3279114E-01 8.823132 
1 1 1    6    5   51 f  229.441   4.4995  357.367   13.989  352.957   19.642  361.907   19.928  228.005   6.3570  230.876   6.3696 -2.871689 8.999036 
1 1 1    6    5   52 o  169.155   4.4012  194.089   10.076  180.820   14.033  208.212   14.477  163.185   6.3456  175.124   6.1004 -11.93889 8.802389 
1 1 1    6    5   53 f  171.883   4.3961  200.557   10.236  207.803   14.601  193.554   14.354  174.938   6.1592  168.827   6.2742 6.111343 8.792158 
1 1 1    6    5   54 o  152.122   4.4737  157.181   9.2138  166.216   13.116  148.380   12.946  156.445   6.1868  147.798   6.4637 8.646942 8.947374 
1 1 1    6    5   55 o  470.553   7.6694  1536.63   46.510  1598.76   58.151  1426.31   77.486  484.554   8.8559  456.552   12.524 28.00226 15.33890 
1 1 1    6    5   56 o  218.816   5.5116  324.708   15.523  329.019   26.559  322.472   19.130  219.780   8.9176  217.853   6.4799 1.926804 11.02325 
1 1 1    6    5   57 o  149.529   4.5508  151.925   9.2209  153.146   13.112  150.730   12.970  150.122   6.4454  148.935   6.4261 1.187363 9.101530 
1 1 1    6    5   58 o  141.889   6.6327  136.853   12.753   0.0000   0.0000  136.853   12.753  ?   ?   141.889   6.6327      ?      ? 
1 1 1    6    5   59 o  294.219   4.9439  588.366   19.703  613.735   28.231  564.274   27.511  300.408   6.9347  288.031   7.0483 12.37674 9.887835 
1 1 1    6    5   60 o  343.027   6.5202  813.539   28.658  768.604   48.572  837.536   35.495  335.261   10.691  350.793   7.4668 -15.53259 13.04043 
1 1 1    6    5   61 o  167.827   6.6685  192.283   15.162  186.288   21.374  198.355   21.511  165.178   9.5488  170.477   9.3112 -5.298141 13.33707 
1 1 1    6    5   62 o  161.363   5.7887  180.749   11.873  187.480   14.620  167.713   20.347  166.032   6.4980  156.694   9.5820 9.338379 11.57749 
1 1 1    6    5   63 o  168.180   4.5977  192.457   10.475  189.854   14.948  194.969   14.684  167.051   6.6029  169.308   6.3999 -2.256348 9.195494 
1 1 1    6    5   64 o  198.897   4.6152  269.071   12.437  274.974   17.819  263.464   17.365  201.022   6.5414  196.773   6.5124 4.248779 9.230395 
1 1 1    6    5   65 o  151.616   4.7161  156.377   9.6858  161.587   13.928  151.498   13.479  154.059   6.6713  149.172   6.6677 4.886658 9.432120 
1 1 1    6    5   66 o  223.956   4.7164  341.619   14.313  336.910   20.209  346.359   20.275  222.401   6.7054  225.511   6.6345 -3.109787 9.432817 
1 1 1    6    5   67 o  241.060   4.7731  395.567   15.581  416.866   22.449  375.769   21.643  247.324   6.6979  234.795   6.8020 12.52875 9.546181 
1 1 1    6    5   68 o  111.085   5.2540   84.163   7.9032   88.657   11.399   80.002   10.967  113.943   7.3823  108.227   7.4779 5.715508 10.50798 
1 1 1    6    5   69 o   59.861   8.8533   24.845   6.8880   19.630   8.9049   32.612   10.868   52.143   12.716   67.578   12.322 -15.43501 17.70670 
1 1 1    6    5   70 o  121.865   7.1514  103.567   11.676   90.548   17.050  115.065   16.023  114.374   11.001  129.356   9.1408 -14.98141 14.30272 
1 1 1    6    5   71 o  105.104   7.5483   76.488   10.704   77.200   15.927   75.901   14.455  105.444   11.146  104.763   10.182 0.6808090 15.09653 
1 1 1    6    5   72 o  117.124   5.2299   94.155   8.2890   92.525   11.985   95.649   11.476  116.109   7.6172  118.139   7.1685 -2.030563 10.45985 
1 1 1    6    5   73 o  137.273   4.9226  129.097   9.1523  134.724   13.166  123.835   12.732  140.172   6.9310  134.374   6.9919 5.798080 9.845126 
1 1 1    6    5   74 o   84.329   6.1754   49.750   6.9448   40.020   9.8672   59.302   9.7764   75.884   9.5953   92.773   7.7763 -16.88924 12.35071 
1 1 1    6    5   75 o  218.518   5.9736  338.482   16.627  306.488   28.104  355.711   20.624  209.496   9.8995  227.539   6.6886 -18.04250 11.94724 
1 1 1    6    5   76 o   98.423   8.1372   68.830   10.726   56.338   14.941   82.117   15.408   88.827   12.412  108.019   10.526 -19.19115 16.27444 
1 1 1    6    5   77 f   61.284   7.7294   27.559   6.1563   21.098   8.8438   33.634   8.5749   53.228   12.478   69.340   9.1257 -16.11164 15.45875 
1 1 1    6    5   78 o   91.974   5.7053   58.901   7.1082   60.029   10.227   57.846   9.8869   92.806   8.1315   91.142   8.0049 1.663918 11.41057 
1 1 1    6    5   79 o  174.343   4.7794  210.303   11.280  197.486   15.736  223.850   16.178  168.817   6.8786  179.870   6.6373 -11.05298 9.558708 
1 1 1    6    5   80 o   90.101   5.7516   57.076   6.9730   49.068   9.7828   65.346   9.9416   83.460   8.6497   96.742   7.5834 -13.28162 11.50323 
1 1 1    6    5   81 o   56.848   7.9875   24.252   6.0056   16.958   8.4499   31.698   8.5371   46.999   12.883   66.697   9.4454 -19.69812 15.97492 
1 1 1    6    5   82 o   88.352   6.0144   55.697   7.0825   44.305   9.9597   67.352   10.074   78.749   9.3329   97.955   7.5888 -19.20596 12.02886 
1 1 1    6    5   83 o   60.109   7.9208   27.278   6.2234   34.557   8.8253   20.079   8.7773   69.405   9.3834   50.814   12.764 18.59080 15.84159 
1 1 1    6    5   84 o  105.978   7.6067   82.337   10.924   82.376   15.433   82.298   15.466  106.015   10.742  105.942   10.773 0.7292175E-01 15.21341 
1 1 1    6    5   85 o   28.937   8.9658  -1.5181   7.0334  -8.1747   10.124   4.6916   9.7784   24.941   11.723   32.934   13.569 -7.992691 17.93161 
1 1 1    6    5   86 o   37.526   9.8592   9.3927   6.4401   12.161   10.902   7.9087   7.9818   40.643   14.996   34.408   12.804 6.234459 19.71850 
1 1 1    6    5   87 o   69.140   8.8175   36.259   7.7483   39.851   13.059   34.308   9.6257   70.163   14.222   68.117   10.428 2.045280 17.63504 
1 1 1    6    5   88 o   41.153   11.179   12.599   8.7875   13.993   12.297   11.144   12.562   42.364   15.867   39.941   15.752 2.422974 22.35836 
1 1 1    6    5   89 o   33.838   14.437   4.5029   11.683   0.0000   0.0000   4.5029   11.683  ?   ?    33.838   14.437      ?      ? 
1 1 1    6    5   90 o   30.169   9.4811  -2.0581   8.1755   6.9438   11.663 -10.7533   11.463   35.291   14.703   25.047   11.974 10.24373 18.96216 
1 1 1    6    5   91 o   68.053   11.221   41.602   10.167   38.800   14.272   44.490   14.488   65.220   16.217   70.886   15.513 -5.666183 22.44202 
1 1 1    6    5   92 o   85.584   9.9228   62.537   11.195   56.463   15.753   68.734   15.912   79.779   15.125   91.390   12.848 -11.61118 19.84553 
1 1 1    6    5   93 o   31.462   9.9552   2.4579   8.7225   1.9883   12.450   2.9104   12.224   31.282   14.061   31.641   14.097 -0.3590069 19.91048 
1 1 1    6    5   94 o   34.658   10.544   8.2214   8.9503   7.9604   12.908   8.4631   12.422   34.595   14.972   34.720   14.852 -0.1243858 21.08844 
1 1 1    6    6    0 o  335.987   6.0627  760.430   25.852  780.939   45.658  750.753   31.363  339.232   9.9320  332.742   6.9556 6.489838 12.12540 
1 1 1    6    6    1 o  629.199   9.2672  2675.94   74.146  2729.14  130.219  2650.41   90.194  633.518   15.168  624.880   10.651 8.638367 18.53432 
1 1 1    6    6    2 o  888.668   10.174  5360.25  122.426  5167.50  169.091  5572.62  177.488  871.917   14.311  905.419   14.466 -33.50183 20.34822 
1 1 1    6    6    3 o  647.811   7.7216  2848.63   67.784  2837.88   95.534  2859.53   96.192  646.582   10.903  649.041   10.937 -2.458740 15.44311 
1 1 1    6    6    4 o  353.917   5.0444  849.370   24.193  852.368   34.151  846.350   34.276  354.545   7.1081  353.289   7.1595 1.255890 10.08875 
1 1 1    6    6    5 o  410.413   5.5278  1141.92   30.737  1173.40   43.909  1111.68   43.042  415.958   7.7898  404.867   7.8451 11.09079 11.05561 
1 1 1    6    6    6 o  381.581   5.2686  987.207   27.241  1006.34   38.777  968.563   38.276  385.232   7.4280  377.930   7.4737 7.301941 10.53715 
1 1 1    6    6    7 o  573.694   7.0062  2233.15   54.469  2237.19   76.992  2229.10   77.069  574.214   9.8944  573.174   9.9222 1.040771 14.01250 
1 1 1    6    6    8 o  247.381   4.9850  404.309   14.140  395.387   16.067  434.957   29.779  241.526   4.9090  253.236   8.6776 -11.70978 9.969909 
1 1 1    6    6    9 o  303.209   5.4529  623.980   19.168  624.510   22.010  622.313   39.004  303.537   5.3508  302.881   9.5030 0.6565857 10.90585 
1 1 1    6    6   10 o  777.129   11.045  4053.66  108.391  3967.40  130.657  4244.06  194.115  764.444   12.613  789.814   18.136 -25.37012 22.09090 
1 1 1    6    6   11 o  395.000   6.6384  1054.93   33.176  1048.98   40.204  1067.63   58.731  393.332   7.5428  396.667   10.926 -3.334686 13.27672 
1 1 1    6    6   12 o  385.133   6.5045  988.660   31.499  960.888   37.770  1052.10   57.084  376.467   7.4035  393.798   10.697 -17.33121 13.00902 
1 1 1    6    6   13 o  688.147   9.9875  3234.10   87.926  3273.24  108.179  3157.92  150.929  694.561   11.493  681.733   16.337 12.82831 19.97499 
1 1 1    6    6   14 o  638.928   10.787  2769.25   93.400  2769.25   93.400   0.0000   0.0000  638.928   10.787  ?   ?       ?      ? 
1 1 1    6    6   15 o  618.381   9.1479  2601.05   72.198  2612.95   88.441  2577.27  125.003  620.672   10.515  616.090   14.972 4.581970 18.29584 
1 1 1    6    6   16 o  189.282   5.0083  238.060   11.942  230.260   14.327  255.815   21.615  184.318   5.7360  194.247   8.2116 -9.928879 10.01662 
1 1 1    6    6   17 o  703.076   10.176  3371.86   91.554  3406.14  112.618  3305.04  157.220  708.586   11.728  697.565   16.632 11.02063 20.35117 
1 1 1    6    6   18 o  397.984   5.4318  1073.23   29.287  1050.74   40.850  1097.01   42.010  393.696   7.6569  402.271   7.7064 -8.574463 10.86358 
1 1 1    6    6   19 o  1239.77   13.814 10447.73  232.080 10511.43  329.369 10384.91  327.065  1243.52   19.545  1236.02   19.527 7.502930 27.62812 
1 1 1    6    6   20 o  295.129   6.5758  590.382   26.299  590.382   26.299   0.0000   0.0000  295.129   6.5758  ?   ?       ?      ? 
1 1 1    6    6   21 o  1184.95   16.250  9594.97  246.854  9678.41  304.140  9433.89  422.589  1193.39   18.806  1176.51   26.506 16.88525 32.49986 
1 1 1    6    6   22 o  509.605   7.8781  1775.71   51.525  1806.95   63.692  1716.55   87.651  516.232   9.1045  502.978   12.860 13.25446 15.75624 
1 1 1    6    6   23 o  559.765   6.8956  2124.68   52.305  2112.86   73.542  2136.77   74.406  558.191   9.7223  561.338   9.7814 -3.146729 13.79122 
1 1 1    6    6   24 o  606.325   7.3341  2492.94   60.255  2467.40   84.506  2519.35   85.939  603.168   10.339  609.482   10.405 -6.313660 14.66810 
1 1 1    6    6   25 o  910.974   12.735  5646.59  148.432  5618.27  255.965  5660.93  182.193  908.805   20.784  913.143   14.723 -4.337402 25.47057 
1 1 1    6    6   26 o  759.638   10.872  3956.13  106.356  3796.44  179.271  4042.86  132.119  747.418   17.700  771.858   12.631 -24.44000 21.74454 
1 1 1    6    6   27 o  526.867   6.5955  1882.48   47.090  1897.49   66.687  1867.56   66.502  528.962   9.3033  524.771   9.3515 4.191345 13.19101 
1 1 1    6    6   28 o  471.270   6.0945  1505.73   38.916  1488.31   54.498  1523.86   55.590  468.490   8.5842  474.049   8.6535 -5.559204 12.18895 
1 1 1    6    6   29 o  522.469   6.5627  1850.38   46.450  1812.05   64.704  1891.14   66.724  516.892   9.2373  528.046   9.3245 -11.15466 13.12533 
1 1 1    6    6   30 o  292.164   4.7028  577.685   18.603  553.871   25.670  604.027   26.997  285.833   6.6271  298.494   6.6743 -12.66046 9.405556 
1 1 1    6    6   31 o  595.607   7.2555  2406.75   58.558  2392.18   82.312  2421.69   83.324  593.785   10.229  597.430   10.292 -3.645630 14.51092 
1 1 1    6    6   32 o  347.444   5.1096  818.566   24.056  828.474   33.994  808.627   34.048  349.552   7.1763  345.336   7.2755 4.215881 10.21926 
1 1 1    6    6   33 o  747.117   8.7447  3790.24   88.535  3808.45  125.381  3772.13  125.035  748.908   12.354  745.325   12.380 3.583191 17.48948 
1 1 1    6    6   34 o  272.152   4.6083  501.319   16.981  480.269   23.438  524.575   24.636  266.150   6.4984  278.155   6.5358 -12.00467 9.216666 
1 1 1    6    6   35 o  315.230   5.9043  665.679   23.854  699.664   41.541  648.960   29.136  321.102   9.5466  309.357   6.9501 11.74503 11.80854 
1 1 1    6    6   36 f  428.609   7.0439  1257.20   38.899  1213.31   65.599  1281.00   48.309  422.670   11.453  434.548   8.2036 -11.87802 14.08779 
1 1 1    6    6   37 o  530.052   6.6609  1906.12   47.832  1872.03   66.712  1942.19   68.618  525.180   9.3737  534.923   9.4659 -9.742859 13.32179 
1 1 1    6    6   38 o  375.811   6.5248  943.248   30.988  917.126   37.323  1001.21   55.595  367.687   7.4906  383.935   10.686 -16.24786 13.04951 
1 1 1    6    6   39 o  171.890   4.3009  200.217   10.012  196.413   13.865  204.362   14.472  170.187   6.0120  173.593   6.1519 -3.406143 8.601748 
1 1 1    6    6   40 f  512.216   6.5191  1781.54   45.249  1779.28   63.756  1783.84   64.231  511.892   9.1909  512.541   9.2477 -0.6481018 13.03812 
1 1 1    6    6   41 o  251.488   6.4797  429.037   22.083   0.0000   0.0000  429.037   22.083  ?   ?   251.488   6.4797      ?      ? 
1 1 1    6    6   42 o  506.371   7.9659  1758.13   51.667  1788.37   63.742  1700.19   88.224  513.099   9.1673  499.643   13.030 13.45547 15.93170 
1 1 1    6    6   43 o  227.796   5.5155  353.529   15.922  355.805   19.383  348.808   27.918  229.009   6.2459  226.584   9.0923 2.424606 11.03096 
1 1 1    6    6   44 o  100.530   5.9138   67.458   7.7134   72.698   13.155   64.712   9.5220  103.421   9.3862   97.638   7.1966 5.783302 11.82762 
1 1 1    6    6   45 o  320.197   6.1041  693.326   24.981  706.632   43.425  686.744   30.541  322.335   9.9414  318.059   7.0859 4.275940 12.20820 
1 1 1    6    6   46 o  285.971   4.7638  555.074   18.456  573.510   26.249  537.049   25.955  290.672   6.6639  281.270   6.8094 9.402771 9.527610 
1 1 1    6    6   47 o  372.229   6.5496  941.826   31.280  943.665   53.722  940.883   38.475  372.283   10.649  372.175   7.6286 0.1078491 13.09924 
1 1 1    6    6   48 o  329.861   7.1445  740.799   31.933  749.988   45.005  731.482   45.316  331.937   10.005  327.786   10.202 4.150726 14.28908 
1 1 1    6    6   49 o  148.060   4.5059  148.610   9.0313  144.252   12.432  153.478   13.142  145.769   6.2937  150.351   6.4499 -4.581955 9.011754 
1 1 1    6    6   50 o  312.938   4.9709  665.265   21.079  667.776   29.686  662.711   29.936  313.539   6.9868  312.338   7.0727 1.200989 9.941806 
1 1 1    6    6   51 o  301.762   4.9093  618.603   20.075  616.125   28.240  621.134   28.543  301.154   6.9197  302.371   6.9658 -1.216431 9.818579 
1 1 1    6    6   52 o  323.311   5.0583  710.376   22.161  713.723   31.292  707.007   31.390  324.079   7.1253  322.543   7.1815 1.535858 10.11652 
1 1 1    6    6   53 o  312.456   6.0972  670.528   24.561  644.580   41.310  684.715   30.546  307.511   9.9131  317.402   7.1017 -9.890930 12.19442 
1 1 1    6    6   54 o  298.528   5.9729  607.119   22.945  605.005   39.109  608.228   28.335  297.916   9.6873  299.140   6.9897 -1.223877 11.94572 
1 1 1    6    6   55 o  105.396   6.2478   77.317   8.3327   80.582   10.233   70.892   14.355  108.877   6.9357  101.915   10.394 6.961792 12.49559 
1 1 1    6    6   56 o  196.608   5.5410  262.544   13.890  261.549   16.965  264.568   24.191  196.188   6.3813  197.028   9.0603 -0.8399658 11.08194 
1 1 1    6    6   57 o  272.936   6.8574  506.518   25.363   0.0000   0.0000  506.518   25.363  ?   ?   272.936   6.8574      ?      ? 
1 1 1    6    6   58 o  111.762   5.0654   85.064   7.6569   91.388   10.849   78.790   10.808  115.921   6.9066  107.604   7.4117 8.316368 10.13085 
1 1 1    6    6   59 o  427.921   7.3039  1263.58   39.967  1289.22   49.280  1214.29   68.319  434.963   8.3606  420.879   11.979 14.08475 14.60771 
1 1 1    6    6   60 o  184.720   4.6742  231.895   11.696  225.215   16.290  239.003   16.804  181.977   6.6058  187.464   6.6149 -5.486572 9.348448 
1 1 1    6    6   61 o  150.941   6.0065  161.470   11.401  137.922   19.449  173.799   14.072  142.025   10.105  159.856   6.4962 -17.83090 12.01299 
1 1 1    6    6   62 o  125.138   5.0020  106.608   8.4822  106.226   12.012  106.988   11.980  124.912   7.0961  125.363   7.0516 -0.4509888 10.00399 
1 1 1    6    6   63 o  200.544   4.6579  273.734   12.654  264.237   17.846  283.336   17.944  197.033   6.6839  204.056   6.4891 -7.023087 9.315723 
1 1 1    6    6   64 o  259.183   4.8679  457.492   17.096  449.579   24.081  465.534   24.275  256.917   6.9168  261.449   6.8517 -4.531647 9.735863 
1 1 1    6    6   65 o  114.668   6.2738   85.969   9.4012   76.097   11.593  104.935   16.068  105.563   8.1038  123.772   9.5798 -18.20840 12.54761 
1 1 1    6    6   66 o  108.244   6.7068   81.184   9.2452   77.748   15.912   82.934   11.359  106.272   11.049  110.217   7.6053 -3.945221 13.41358 
1 1 1    6    6   67 o  199.081   4.7644  269.902   12.840  287.788   18.533  253.393   17.805  205.430   6.6574  192.733   6.8173 12.69662 9.528708 
1 1 1    6    6   68 o  217.237   4.7809  322.103   14.071  312.230   19.803  332.170   19.996  213.858   6.8332  220.616   6.6884 -6.757980 9.561753 
1 1 1    6    6   69 o   85.265   7.4825   49.494   8.0923   52.429   14.384   48.135   9.7882   86.803   12.228   83.726   8.6270 3.077293 14.96502 
1 1 1    6    6   70 o  192.840   4.7643  254.187   12.442  241.948   17.434  266.890   17.762  188.084   6.8403  197.595   6.6335 -9.511520 9.528529 
1 1 1    6    6   71 o   98.553   6.7271   67.933   8.5659   69.927   10.715   64.400   14.258  100.896   7.8367   96.209   10.936 4.687279 13.45423 
1 1 1    6    6   72 o  167.740   4.7516  192.796   10.801  194.510   15.331  191.107   15.219  168.482   6.7147  166.999   6.7249 1.483139 9.503243 
1 1 1    6    6   73 o  181.397   4.7629  225.618   11.701  214.669   16.324  237.188   16.780  176.848   6.8113  185.946   6.6593 -9.097229 9.525760 
1 1 1    6    6   74 o  116.362   6.5733   96.728   9.6136  101.584   11.784   87.063   16.624  121.471   7.1586  111.253   11.027 10.21821 13.14659 
1 1 1    6    6   75 o   29.267   8.4773   2.6119   5.3572   2.2468   7.7300   2.9494   7.4312   29.140   12.041   29.393   11.936 -0.2528915 16.95450 
1 1 1    6    6   76 o  145.541   5.9878  150.563   11.151  137.580   18.715  157.709   13.885  139.865   9.8743  151.218   6.7759 -11.35341 11.97562 
1 1 1    6    6   77 o   54.840   8.3368   22.334   6.0127   21.145   8.5236   23.511   8.4830   53.252   12.088   56.427   11.484 -3.174648 16.67357 
1 1 1    6    6   78 o   98.245   5.5835   67.436   7.3856   58.083   10.316   77.272   10.579   91.075   8.3585  105.416   7.4053 -14.34044 11.16703 
1 1 1    6    6   79 o   63.965   7.3514   29.708   6.2054   26.752   8.7563   32.691   8.7954   60.090   11.164   67.839   9.5674 -7.749104 14.70275 
1 1 1    6    6   80 o  118.069   5.2232   97.132   8.3336   87.519   11.478  107.849   12.119  111.816   7.5751  124.322   7.1933 -12.50545 10.44631 
1 1 1    6    6   81 o   41.863   13.145   13.297   8.3057   0.0000   0.0000   13.297   8.3057  ?   ?    41.863   13.145      ?      ? 
1 1 1    6    6   82 o  113.829   6.6256   94.037   9.6513   89.065   16.305   96.718   11.975  110.375   10.901  117.283   7.5342 -6.908066 13.25110 
1 1 1    6    6   83 o   84.592   8.7095   59.397   8.5181   38.696   14.181   71.082   10.654   68.911   15.554  100.274   7.8408 -31.36327 17.41895 
1 1 1    6    6   84 f   38.643   9.6365   8.1915   6.4292   19.157   10.898   2.3384   7.9624   48.567   15.026   28.719   12.070 19.84773 19.27300 
1 1 1    6    6   85 o   22.022   7.4871 -13.2821   6.6142 -20.1416   9.1635  -5.8211   9.5568   18.807   9.3400   25.236   11.704 -6.428501 14.97422 
1 1 1    6    6   86 o   93.197   8.5667   65.596   10.782   60.118   14.554   72.260   16.052   88.949   12.074   97.446   12.156 -8.497810 17.13342 
1 1 1    6    6   87 o   47.845   11.406   19.438   8.7504   18.786   11.995   20.180   12.794   47.172   15.868   48.518   16.388 -1.346107 22.81147 
1 1 1    6    6   88 o   49.418   11.664   21.559   9.1727   22.309   12.707   20.743   13.254   50.299   16.311   48.536   16.677 1.762070 23.32767 
1 1 1    6    6   89 o   81.286   14.702   55.643   15.599   0.0000   0.0000   55.643   15.599  ?   ?    81.286   14.702      ?      ? 
1 1 1    6    6   90 o   47.093   11.993   20.623   9.7667   21.547   14.186   19.790   13.466   47.825   17.185   46.361   16.733 1.463741 23.98583 
1 1 1    6    6   91 o   62.934   11.762   37.617   10.204   40.039   14.430   35.195   14.431   65.491   16.318   60.376   16.945 5.115696 23.52493 
1 1 1    6    6   92 o   70.286   10.932   46.314   10.693   65.078   15.400   28.848   14.858   88.162   12.890   52.410   17.661 35.75153 21.86437 
1 1 1    6    6   93 o   33.699   10.121   2.7138   9.0521 -11.6449   12.615   17.957   12.997   25.053   12.124   42.346   16.209 -17.29259 20.24133 
1 1 1    6    7    0 f  858.475   12.032  4926.44  130.490  5242.45  234.338  4784.42  157.100  877.592   19.705  839.358   13.812 38.23419 24.06308 
1 1 1    6    7    1 o  503.264   7.7538  1719.88   50.101  1714.26   85.834  1722.78   61.703  502.527   12.604  504.001   9.0342 -1.474304 15.50760 
1 1 1    6    7    2 o  783.808   11.124  4191.07  111.934  4122.19  191.143  4227.02  138.087  778.526   18.118  789.091   12.913 -10.56500 22.24883 
1 1 1    6    7    3 o  684.600   9.8688  3132.43   85.578  3322.59  152.830  3045.57  103.290  699.248   16.129  669.953   11.377 29.29584 19.73750 
1 1 1    6    7    4 o  457.038   7.2362  1414.61   42.426  1424.20   72.996  1409.72   52.137  458.121   11.758  455.954   8.4380 2.167908 14.47246 
1 1 1    6    7    5 o  206.123   4.9785  288.076   13.323  287.855   22.301  288.199   16.614  206.046   7.9868  206.200   5.9458 -0.1539307 9.956974 
1 1 1    6    7    6 o  575.037   7.0402  2242.62   54.859  2267.47   77.927  2218.21   77.242  578.195   9.9457  571.879   9.9671 6.315796 14.08042 
1 1 1    6    7    7 o  1307.17   14.545 11626.48  257.643 11625.51  364.185 11627.45  364.539  1307.11   20.560  1307.22   20.578 -0.1043701 29.08941 
1 1 1    6    7    8 o  698.310   8.2420  3308.03   77.989  3278.90  109.498  3338.02  111.105  695.193   11.623  701.428   11.689 -6.234863 16.48396 
1 1 1    6    7    9 o  586.684   8.3101  2330.76   56.836  2326.52   65.390  2343.85  114.940  585.787   8.2373  587.580   14.435 -1.793152 16.62012 
1 1 1    6    7   10 o  983.646   12.912  6587.40  148.962  6599.10  172.065  6552.36  297.627  986.141   12.876  981.151   22.385 4.990356 25.82368 
1 1 1    6    7   11 o  1349.24   17.354 12328.83  273.028 12259.90  313.939 12542.81  553.128  1343.36   17.245  1355.12   30.121 -11.75549 34.70813 
1 1 1    6    7   12 o  690.541   9.4581  3227.24   76.219  3218.79   87.718  3253.26  153.985  688.974   9.3951  692.107   16.418 -3.132324 18.91616 
1 1 1    6    7   13 o  696.713   9.5496  3306.29   78.035  3318.54   90.173  3269.75  155.729  699.567   9.5118  693.859   16.562 5.707458 19.09919 
1 1 1    6    7   14 o  1082.16   14.068  7833.31  176.052  7718.60  201.182  8208.36  363.770  1066.44   13.921  1097.88   24.451 -31.43921 28.13585 
1 1 1    6    7   15 o  225.649   5.1143  339.208   13.084  334.437   14.823  356.037   27.840  222.145   4.9239  229.152   8.9654 -7.007416 10.22855 
1 1 1    6    7   16 o  343.383   5.8017  799.159   26.997  799.159   26.997   0.0000   0.0000  343.383   5.8017  ?   ?       ?      ? 
1 1 1    6    7   17 o  803.097   11.376  4401.82  117.248  4450.00  144.681  4309.64  200.120  809.818   13.184  796.377   18.543 13.44049 22.75234 
1 1 1    6    7   18 o  590.779   7.1956  2366.51   57.601  2338.96   80.749  2395.05   82.191  587.281   10.146  594.278   10.206 -6.997131 14.39123 
1 1 1    6    7   19 o  668.844   7.9566  3032.00   72.088  3129.06  103.695  2941.22  100.286  679.195   11.266  658.494   11.238 20.70020 15.91329 
1 1 1    6    7   20 o  364.760   5.2002  901.966   25.703  911.351   36.328  892.557   36.372  366.661   7.3112  362.859   7.3968 3.802460 10.40032 
1 1 1    6    7   21 o  1017.75   11.500  7029.48  158.538  6849.55  220.243  7222.95  228.390  1004.25   16.184  1031.24   16.343 -26.98602 23.00019 
1 1 1    6    7   22 o  674.356   8.0267  3084.95   73.350  3078.35  103.413  3091.63  104.056  673.632   11.328  675.080   11.374 -1.448364 16.05332 
1 1 1    6    7   23 o  788.972   11.279  4287.75  115.010  4023.58  191.145  4437.65  143.991  769.342   18.334  808.602   13.141 -39.26038 22.55704 
1 1 1    6    7   24 o  669.480   9.7643  3032.65   83.390  3072.94  145.324  3012.87  101.821  672.567   15.945  666.394   11.275 6.173340 19.52862 
1 1 1    6    7   25 o  568.792   7.0238  2194.24   54.137  2222.24   76.939  2166.78   76.188  572.386   9.9191  565.197   9.9473 7.189392 14.04770 
1 1 1    6    7   26 o  838.975   9.6923  4779.45  110.194  4779.70  155.750  4779.21  155.926  838.998   13.699  838.953   13.715 0.4504395E-01 19.38454 
1 1 1    6    7   27 o  858.955   9.8773  5010.86  114.972  5017.01  162.560  5004.71  162.630  859.484   13.957  858.426   13.980 1.057922 19.75464 
1 1 1    6    7   28 o  210.358   4.3342  300.031   12.351  302.423   17.277  297.530   17.663  211.218   6.0363  209.499   6.2214 1.718658 8.668471 
1 1 1    6    7   29 o  220.357   4.3478  329.012   12.977  324.300   18.017  334.090   18.705  218.720   6.0788  221.994   6.2178 -3.274353 8.695565 
1 1 1    6    7   30 o  588.784   7.2060  2351.40   57.483  2308.99   80.261  2396.05   82.366  583.340   10.153  594.229   10.229 -10.88885 14.41209 
1 1 1    6    7   31 o  441.701   7.1999  1333.48   40.912  1293.32   69.311  1354.96   50.682  436.451   11.719  446.952   8.3679 -10.50119 14.39979 
1 1 1    6    7   32 o  748.960   10.751  3823.54  103.195  3787.38  177.114  3842.13  126.974  745.822   17.524  752.098   12.458 -6.275513 21.50116 
1 1 1    6    7   33 o  479.305   6.2198  1558.69   40.398  1570.99   57.134  1546.38   57.129  481.199   8.7617  477.410   8.8305 3.789063 12.43962 
1 1 1    6    7   34 o  354.003   5.1788  849.242   24.832  826.407   34.480  873.848   35.792  349.065   7.2893  358.941   7.3584 -9.876068 10.35755 
1 1 1    6    7   35 o  245.209   6.4174  407.743   21.325   0.0000   0.0000  407.743   21.325  ?   ?   245.209   6.4174      ?      ? 
1 1 1    6    7   36 o  374.810   7.6043  953.078   38.624   0.0000   0.0000  953.078   38.624  ?   ?   374.810   7.6043      ?      ? 
1 1 1    6    7   37 o  429.856   7.1213  1247.82   38.865  1234.64   47.195  1275.59   68.504  426.529   8.1652  433.184   11.670 -6.655365 14.24264 
1 1 1    6    7   38 o  274.776   9.4481  512.766   35.181   0.0000   0.0000  512.766   35.181  ?   ?   274.776   9.4481      ?      ? 
1 1 1    6    7   39 f  613.192   9.1767  2566.15   71.925  2579.06   88.263  2540.61  124.089  615.984   10.574  610.401   15.002 5.583008 18.35347 
1 1 1    6    7   40 o  276.253   4.7065  515.924   17.587  484.509   24.027  552.177   25.812  267.228   6.6350  285.277   6.6768 -18.04886 9.412923 
1 1 1    6    7   41 o  315.621   4.9445  676.134   21.145  681.784   29.743  670.360   30.068  316.960   6.9247  314.283   7.0598 2.676483 9.889042 
1 1 1    6    7   42 o  339.980   5.1159  784.579   23.567  781.616   33.038  787.648   33.627  339.331   7.1846  340.629   7.2849 -1.298035 10.23171 
1 1 1    6    7   43 o  253.448   4.5824  435.588   15.732  424.333   21.853  447.696   22.665  250.055   6.4489  256.842   6.5119 -6.787476 9.164830 
1 1 1    6    7   44 o  366.230   6.5055  904.489   30.423  933.935   53.146  890.138   37.103  370.425   10.587  362.035   7.5626 8.389832 13.01100 
1 1 1    6    7   45 o  189.861   4.4139  244.708   11.354  250.041   16.019  239.324   16.094  191.945   6.1586  187.778   6.3248 4.166946 8.827848 
1 1 1    6    7   46 o  244.065   4.5772  404.057   15.132  392.747   21.035  416.187   21.785  240.529   6.4535  247.600   6.4926 -7.070633 9.154308 
1 1 1    6    7   47 o  232.507   4.5286  367.112   14.265  372.784   20.045  361.293   20.304  234.334   6.3124  230.680   6.4951 3.653214 9.057184 
1 1 1    6    7   48 o  364.724   5.3315  903.926   26.349  902.397   37.011  905.497   37.520  364.417   7.4946  365.030   7.5849 -0.6127625 10.66305 
1 1 1    6    7   49 o  292.593   4.8495  581.590   19.227  585.422   27.066  577.688   27.316  293.572   6.8035  291.615   6.9124 1.957428 9.698936 
1 1 1    6    7   50 o  125.543   8.8939  107.275   15.131  107.275   15.131   0.0000   0.0000  125.543   8.8939  ?   ?       ?      ? 
1 1 1    6    7   51 o  262.026   5.6585  459.062   19.024  491.445   33.180  443.202   23.220  268.644   9.1141  255.409   6.7089 13.23457 11.31708 
1 1 1    6    7   52 o  223.191   6.3822  338.754   19.286  327.525   26.590  351.218   28.014  219.304   8.9472  227.077   9.1036 -7.773514 12.76436 
1 1 1    6    7   53 o  293.651   9.8481  588.051   39.189   0.0000   0.0000  588.051   39.189  ?   ?   293.651   9.8481      ?      ? 
1 1 1    6    7   54 o   82.510   5.6855   46.361   6.3533   48.021   8.9614   44.683   9.0087   84.004   7.8721   81.016   8.2055 2.987633 11.37103 
1 1 1    6    7   55 o  169.359   5.6831  199.292   12.181  207.206   14.948  183.655   21.013  174.619   6.3171  164.100   9.4491 10.51868 11.36623 
1 1 1    6    7   56 o  302.353   7.0302  621.762   28.805  621.762   28.805   0.0000   0.0000  302.353   7.0302  ?   ?       ?      ? 
1 1 1    6    7   57 o   91.549   6.8314   57.240   8.0492   57.301   9.9407   57.123   13.716   91.727   7.9972   91.370   11.078 0.3563309 13.66284 
1 1 1    6    7   58 o  153.034   4.7355  159.163   9.8149  166.932   14.071  151.801   13.697  156.675   6.6274  149.394   6.7659 7.280838 9.470959 
1 1 1    6    7   59 o  110.747   5.1498   83.456   7.7270   81.954   10.790   85.037   11.071  109.727   7.2565  111.768   7.3092 -2.040848 10.29956 
1 1 1    6    7   60 o  259.074   4.7940  456.715   16.830  463.760   23.822  449.694   23.780  261.076   6.7332  257.072   6.8260 4.004364 9.588008 
1 1 1    6    7   61 o  220.874   6.6605  333.502   19.930  325.159   28.241  341.779   28.130  218.094   9.5555  223.655   9.2813 -5.560532 13.32104 
1 1 1    6    7   62 f   47.277   10.782   13.783   8.2975   22.783   12.236   6.1225   11.290   56.392   15.522   38.162   14.970 18.22968 21.56480 
1 1 1    6    7   63 o  135.790   4.9458  125.550   9.0972  128.340   13.095  122.947   12.648  137.243   7.0410  134.338   6.9474 2.904770 9.891507 
1 1 1    6    7   64 o  113.514   5.2693   88.152   8.0767   80.069   11.469   96.105   11.376  108.299   7.8148  118.730   7.0705 -10.43102 10.53865 
1 1 1    6    7   65 o  182.011   4.7180  225.842   11.636  222.527   16.468  229.148   16.443  180.668   6.7262  183.353   6.6178 -2.685730 9.435941 
1 1 1    6    7   66 o  101.066   6.7576   69.892   8.6856   70.954   15.215   69.379   10.579  101.397   11.073  100.734   7.7496 0.6631546 13.51518 
1 1 1    6    7   67 o  107.531   6.6177   78.416   9.0632   82.677   15.974   76.394   11.006  109.402   10.774  105.660   7.6869 3.742577 13.23541 
1 1 1    6    7   68 o  119.806   5.1931   98.241   8.4304   96.829   11.934   99.648   11.911  118.937   7.4044  120.676   7.2833 -1.738953 10.38618 
1 1 1    6    7   69 o  187.923   4.7804  241.522   12.173  238.341   17.100  244.790   17.333  186.669   6.7599  189.177   6.7611 -2.508163 9.560822 
1 1 1    6    7   70 o   99.453   5.6156   68.037   7.5536   73.364   10.742   62.827   10.624  103.354   7.6698   95.552   8.2044 7.802116 11.23112 
1 1 1    6    7   71 o  101.091   7.6402   77.146   9.1587   85.674   11.018   58.076   16.476  111.686   7.2798   90.496   13.435 21.18976 15.28044 
1 1 1    6    7   72 o   87.223   8.4753   52.617   10.018   52.617   10.018   0.0000   0.0000   87.223   8.4753  ?   ?       ?      ? 
1 1 1    6    7   73 o  128.096   5.1713  113.193   8.9593  121.724   12.711  104.770   12.630  132.973   7.0538  123.220   7.5640 9.753098 10.34262 
1 1 1    6    7   74 o  126.849   5.1549  111.121   8.8593  112.477   12.452  109.731   12.608  127.663   7.1975  126.036   7.3817 1.627396 10.30984 
1 1 1    6    7   75 o   41.021   8.8554   11.284   5.7657   4.9478   7.8446   18.727   8.5028   31.956   12.495   50.086   12.552 -18.13011 17.71088 
1 1 1    6    7   76 f  140.634   6.0613  138.899   11.031  136.364   18.455  140.308   13.760  138.954   9.8006  142.314   7.1347 -3.359970 12.12253 
1 1 1    6    7   77 o   80.497   6.4243   45.664   7.0022   43.261   9.8268   48.142   9.9801   78.285   9.2630   82.709   8.9042 -4.423859 12.84867 
1 1 1    6    7   78 o  100.368   5.6757   70.420   7.6710   60.274   10.565   81.732   11.156   92.574   8.4216  108.163   7.6111 -15.58931 11.35130 
1 1 1    6    7   79 o   63.601   7.6007   29.444   6.3816   25.783   8.7108   33.684   9.3759   58.703   11.361   68.499   10.101 -9.796524 15.20149 
1 1 1    6    7   80 o   60.425   9.3038   30.551   7.4772   17.834   12.119   38.368   9.5010   47.678   15.951   73.171   9.5818 -25.49240 18.60751 
1 1 1    6    7   81 o   57.763   9.6070   25.606   7.2351   29.276   11.751   23.365   9.1820   60.575   14.506   54.950   12.599 5.625164 19.21405 
1 1 1    6    7   82 o   34.401   9.5309   6.6636   6.6182   1.8585   10.719   9.6244   8.4136   31.852   13.714   36.949   13.239 -5.096277 19.06172 
1 1 1    6    7   83 o   73.641   8.6125   40.691   8.0283   43.174   13.493   39.330   9.9890   73.812   14.001   73.471   10.033 0.3411331 17.22494 
1 1 1    6    7   84 o   47.608   11.179   16.725   8.9353   7.5911   11.819   28.908   13.651   37.044   15.049   58.172   16.535 -21.12849 22.35840 
1 1 1    6    7   85 o  111.485   10.920   92.616   16.497   92.616   16.497   0.0000   0.0000  111.485   10.920  ?   ?       ?      ? 
1 1 1    6    7   86 o   86.976   12.329   58.253   14.532   58.253   14.532   0.0000   0.0000   86.976   12.329  ?   ?       ?      ? 
1 1 1    6    7   87 o   42.793   11.324   14.653   8.8197   13.043   11.892   16.622   13.149   41.012   15.551   44.573   16.464 -3.560368 22.64706 
1 1 1    6    7   88 o   66.766   11.370   39.341   10.133   37.483   13.704   41.582   15.049   65.390   15.670   68.141   16.478 -2.751007 22.73949 
1 1 1    6    7   89 o   41.145   11.462   13.848   9.4032   12.693   13.200   15.037   13.398   40.160   16.048   42.130   16.369 -1.970020 22.92307 
1 1 1    6    7   90 o   40.071   16.181   13.235   13.575   0.0000   0.0000   13.235   13.575  ?   ?    40.071   16.181      ?      ? 
1 1 1    6    7   91 o   45.342   11.198   17.673   9.7493   3.1107   13.514   33.480   14.079   32.789   14.700   57.896   16.896 -25.10713 22.39537 
1 1 1    6    7   92 o   52.201   12.063   28.965   9.9301   24.967   14.035   32.974   14.052   48.223   17.118   56.179   17.002 -7.955963 24.12667 
1 1 1    6    8    0 o  623.849   9.2672  2634.76   73.481  2623.19   89.452  2658.78  128.852  621.907   10.614  625.790   15.194 -3.882507 18.53438 
1 1 1    6    8    1 o  987.786   13.756  6633.19  173.341  6633.81  212.021  6631.93  301.025  988.402   15.829  987.170   22.502 1.232544 27.51223 
1 1 1    6    8    2 o  997.280   13.864  6711.85  175.321  6623.06  212.536  6900.94  310.152  987.600   15.881  1006.96   22.729 -19.36023 27.72724 
1 1 1    6    8    3 o  556.632   8.4712  2080.00   59.620  2042.12   71.994  2162.68  106.362  548.769   9.6810  564.495   13.904 -15.72565 16.94242 
1 1 1    6    8    4 o  148.842   4.1870  149.869   8.4372  142.857   11.640  157.632   12.247  145.181   5.9164  152.504   5.9262 -7.322617 8.374002 
1 1 1    6    8    5 o  907.986   10.368  5596.27  127.574  5619.99  180.726  5572.71  180.108  909.905   14.657  906.068   14.669 3.836548 20.73627 
1 1 1    6    8    6 o  601.060   7.3141  2446.92   59.533  2364.19   82.344  2537.51   86.172  590.433   10.292  611.686   10.396 -21.25323 14.62822 
1 1 1    6    8    7 o  283.043   6.6079  543.024   25.345   0.0000   0.0000  543.024   25.345  ?   ?   283.043   6.6079      ?      ? 
1 1 1    6    8    8 o  351.850   6.2640  846.375   28.262  861.578   34.907  817.447   48.152  356.513   7.2253  347.186   10.235 9.326965 12.52799 
1 1 1    6    8    9 f  951.438   15.283  6145.59  197.052  6145.59  197.052   0.0000   0.0000  951.438   15.283  ?   ?       ?      ? 
1 1 1    6    8   10 o  273.338   5.2489  506.352   19.442  506.352   19.442   0.0000   0.0000  273.338   5.2489  ?   ?       ?      ? 
1 1 1    6    8   11 o  982.165   12.833  6545.19  170.805  6545.19  170.805   0.0000   0.0000  982.165   12.833  ?   ?       ?      ? 
1 1 1    6    8   12 o  210.645   5.1145  302.169   12.273  303.358   13.993  298.208   25.548  211.572   4.8805  209.717   8.9896 1.854111 10.22897 
1 1 1    6    8   13 o  482.217   7.2287  1568.42   40.440  1560.49   46.380  1593.56   82.586  479.800   7.1333  484.635   12.575 -4.834961 14.45741 
1 1 1    6    8   14 o  685.742   9.4265  3169.15   75.180  3148.55   86.300  3234.00  153.115  681.419   9.3457  690.065   16.374 -8.645630 18.85304 
1 1 1    6    8   15 o  522.872   7.6372  1845.26   46.428  1836.72   53.310  1872.05   94.475  520.518   7.5577  525.225   13.274 -4.706726 15.27442 
1 1 1    6    8   16 o  410.406   6.4973  1126.78   30.776  1113.17   35.153  1171.45   63.684  405.251   6.4011  415.562   11.309 -10.31174 12.99458 
1 1 1    6    8   17 o  262.291   5.7620  480.222   19.096  507.862   23.519  426.752   32.713  273.726   6.3405  250.856   9.6230 22.86948 11.52404 
1 1 1    6    8   18 o  699.761   10.167  3294.21   90.131  3240.80  109.083  3409.12  160.010  691.141   11.647  708.381   16.669 -17.23944 20.33440 
1 1 1    6    8   19 o  322.122   6.1511  707.533   25.275  715.441   30.996  691.843   43.662  324.865   7.0408  319.379   10.088 5.485840 12.30224 
1 1 1    6    8   20 o  260.032   5.5473  452.474   18.390  475.902   32.374  441.312   22.345  264.910   9.0181  255.154   6.4625 9.756256 11.09464 
1 1 1    6    8   21 o  614.293   7.4606  2556.84   62.067  2655.03   89.684  2466.58   85.985  625.596   10.579  602.990   10.523 22.60638 14.92110 
1 1 1    6    8   22 o  877.290   10.072  5226.81  119.743  5248.75  169.637  5205.03  169.049  879.125   14.239  875.455   14.249 3.670288 20.14451 
1 1 1    6    8   23 o  368.922   5.2845  921.817   26.405  889.457   36.643  956.770   38.083  362.194   7.4657  375.649   7.4811 -13.45474 10.56896 
1 1 1    6    8   24 o  463.638   6.0839  1457.17   38.215  1426.76   53.323  1489.29   54.796  458.667   8.5789  468.609   8.6289 -9.941406 12.16780 
1 1 1    6    8   25 o  634.034   7.6647  2726.79   65.838  2672.74   91.823  2783.97   94.451  627.574   10.797  640.493   10.882 -12.91870 15.32947 
1 1 1    6    8   26 o  133.734   4.4580  121.124   8.0749  117.044   11.210  125.524   11.641  131.395   6.2959  136.072   6.3131 -4.676849 8.915942 
1 1 1    6    8   27 o  467.622   7.4831  1495.29   45.017  1447.62   76.225  1520.82   55.784  461.733   12.182  473.510   8.6936 -11.77667 14.96610 
1 1 1    6    8   28 f  317.232   6.0125  683.160   24.498  680.953   41.940  684.303   30.182  316.788   9.7696  317.677   7.0111 -0.8895264 12.02498 
1 1 1    6    8   29 o  667.086   7.9771  3021.43   72.112  3029.72  101.911  3013.10  102.051  668.006   11.258  666.166   11.305 1.840027 15.95411 
1 1 1    6    8   30 o  833.045   9.6480  4717.28  108.915  4731.20  154.137  4703.39  153.922  834.275   13.634  831.815   13.655 2.459961 19.29607 
1 1 1    6    8   31 o  831.239   9.6189  4697.32  108.344  4755.93  154.231  4640.21  152.233  836.356   13.608  826.121   13.598 10.23529 19.23777 
1 1 1    6    8   32 o  738.975   8.6933  3711.36   87.055  3711.13  122.883  3711.59  123.347  738.956   12.271  738.994   12.317 -0.3704834E-01 17.38658 
1 1 1    6    8   33 f  719.628   8.5097  3519.35   82.979  3576.64  118.236  3463.75  116.483  725.398   12.028  713.857   12.041 11.54175 17.01942 
1 1 1    6    8   34 o  356.534   5.2208  862.401   25.221  861.919   35.371  862.899   35.972  356.436   7.3228  356.632   7.4433 -0.1952209 10.44155 
1 1 1    6    8   35 o  267.742   5.6446  478.185   19.145  463.796   23.096  509.780   34.225  261.488   6.5178  273.996   9.2175 -12.50818 11.28918 
1 1 1    6    8   36 o  446.493   8.3742  1353.39   50.669  1353.39   50.669   0.0000   0.0000  446.493   8.3742  ?   ?       ?      ? 
1 1 1    6    8   37 o  222.629   5.4530  334.930   15.347  332.315   18.576  340.554   27.240  221.335   6.1932  223.922   8.9769 -2.586472 10.90599 
1 1 1    6    8   38 o  270.242   4.6613  494.961   17.060  478.737   23.641  512.591   24.644  265.627   6.5677  274.856   6.6163 -9.228668 9.322521 
1 1 1    6    8   39 o  311.970   4.9248  660.028   20.810  644.418   28.890  676.863   30.002  308.142   6.9186  315.797   7.0106 -7.655090 9.849695 
1 1 1    6    8   40 o  462.164   6.1075  1448.70   38.215  1392.99   52.674  1510.62   55.527  452.806   8.5843  471.521   8.6900 -18.71542 12.21496 
1 1 1    6    8   41 o  340.442   5.1316  786.518   23.667  771.629   32.963  802.360   34.001  337.123   7.2152  343.762   7.2988 -6.639648 10.26317 
1 1 1    6    8   42 o  233.226   4.5162  368.985   14.268  362.440   19.850  375.981   20.523  231.090   6.3388  235.362   6.4345 -4.271454 9.032354 
1 1 1    6    8   43 o  239.541   5.5353  387.644   17.018  396.623   29.361  383.101   20.883  241.518   8.9710  237.564   6.4868 3.953842 11.07058 
1 1 1    6    8   44 o  171.541   5.5183  206.317   12.090  179.574   20.138  221.389   15.118  162.482   9.1459  180.600   6.1773 -18.11812 11.03658 
1 1 1    6    8   45 o  110.856   4.7693   83.200   7.1534   78.841   9.7882   88.195   10.480  107.752   6.7034  113.961   6.7860 -6.209862 9.538691 
1 1 1    6    8   46 o  333.922   7.2791  757.582   32.938   0.0000   0.0000  757.582   32.938  ?   ?   333.922   7.2791      ?      ? 
1 1 1    6    8   47 o  296.925   5.9172  591.696   22.496  623.794   39.273  576.021   27.444  302.664   9.5752  291.186   6.9549 11.47809 11.83448 
1 1 1    6    8   48 o  168.188   5.5455  198.238   11.985  172.254   19.698  213.510   15.101  159.063   9.1384  177.313   6.2847 -18.24989 11.09092 
1 1 1    6    8   49 o  152.667   4.5697  158.385   9.4493  160.853   13.223  155.809   13.508  153.891   6.3407  151.444   6.5821 2.446747 9.139390 
1 1 1    6    8   50 o  218.335   4.5490  323.886   13.453  336.331   19.085  311.594   18.967  222.513   6.3293  214.156   6.5355 8.357300 9.097951 
1 1 1    6    8   51 o  120.513   4.8242   98.812   7.8702  102.624   11.041   94.874   11.222  122.889   6.6298  118.137   7.0097 4.751640 9.648299 
1 1 1    6    8   52 o  420.826   5.8346  1205.01   33.263  1180.13   46.360  1231.41   47.754  416.360   8.2166  425.292   8.2859 -8.932373 11.66916 
1 1 1    6    8   53 o  205.102   4.6171  285.582   12.824  277.102   17.735  294.873   18.564  201.919   6.4816  208.284   6.5771 -6.364639 9.234155 
1 1 1    6    8   54 o  330.949   6.3783  754.423   26.975  770.673   33.244  723.099   46.155  336.575   7.2886  325.324   10.469 11.25052 12.75667 
1 1 1    6    8   55 o  150.842   5.9428  156.079   11.400  158.124   13.950  151.969   19.778  152.488   6.7509  149.195   9.7824 3.293091 11.88566 
1 1 1    6    8   56 o  126.946   9.6323  110.032   16.570  110.032   16.570   0.0000   0.0000  126.946   9.6323  ?   ?       ?      ? 
1 1 1    6    8   57 o  194.322   6.5955  256.818   17.368  256.818   17.368   0.0000   0.0000  194.322   6.5955  ?   ?       ?      ? 
1 1 1    6    8   58 o  106.997   7.6703   78.278   11.088   70.207   15.371   87.035   16.011  101.218   11.206  112.777   10.476 -11.55919 15.34052 
1 1 1    6    8   59 o  109.365   5.4010   81.809   7.9187   97.088   11.337   67.255   11.065  119.423   7.0055   99.307   8.2224 20.11562 10.80206 
1 1 1    6    8   60 o  191.895   4.6839  250.584   12.178  244.544   17.113  256.782   17.335  189.547   6.6624  194.242   6.5855 -4.695129 9.367827 
1 1 1    6    8   61 o  146.911   6.1644  151.779   11.317  135.863   19.805  159.497   13.791  140.769   10.382  153.053   6.6491 -12.28452 12.32886 
1 1 1    6    8   62 o  194.824   4.7199  258.582   12.460  254.977   17.664  262.151   17.578  193.462   6.7376  196.185   6.6117 -2.722702 9.439797 
1 1 1    6    8   63 o   81.553   6.3483   45.597   7.0069   43.907   10.035   47.205   9.7877   80.050   9.2510   83.057   8.6961 -3.006210 12.69656 
1 1 1    6    8   64 o  148.544   6.0204  154.135   11.431  141.442   19.299  160.995   14.187  143.460   9.9269  153.628   6.8146 -10.16864 12.04085 
1 1 1    6    8   65 o  203.181   4.7462  281.752   13.067  278.181   18.480  285.322   18.479  201.884   6.7550  204.478   6.6689 -2.593430 9.492364 
1 1 1    6    8   66 o  150.384   4.9027  154.680   9.9724  166.307   14.151  143.210   14.056  156.047   6.6919  144.722   7.1670 11.32500 9.805469 
1 1 1    6    8   67 o  110.860   5.3907   84.242   8.0958   81.571   11.431   86.930   11.467  109.079   7.7334  112.642   7.5123 -3.563354 10.78148 
1 1 1    6    8   68 o   76.575   6.5753   40.517   6.8155   42.593   9.6254   38.429   9.6519   78.583   9.0387   74.566   9.5519 4.016640 13.15054 
1 1 1    6    8   69 o  217.844   5.8259  324.343   16.258  319.165   19.904  334.720   28.179  215.818   6.8058  219.871   9.4576 -4.053680 11.65179 
1 1 1    6    8   70 f   75.234   8.2839   40.470   7.6895   40.774   9.4017   39.854   13.364   76.725   9.0425   73.742   13.883 2.983017 16.56786 
1 1 1    6    8   71 o  145.340   6.0806  146.007   11.150  145.435   13.501  147.235   19.774  145.476   6.8487  145.205   10.049 0.2715454 12.16111 
1 1 1    6    8   72 o  145.181   6.1417  146.596   11.322  146.899   13.810  145.977   19.769  146.048   6.9780  144.314   10.109 1.733826 12.28339 
1 1 1    6    8   73 o  101.569   5.6289   71.585   7.7377   76.073   10.991   67.173   10.896  104.791   7.7394   98.346   8.1754 6.445488 11.25772 
1 1 1    6    8   74 o  148.610   4.9889  152.765   10.040  159.767   14.239  145.841   14.159  152.059   6.9099  145.161   7.1979 6.897812 9.977815 
1 1 1    6    8   75 o  155.111   4.9642  166.640   10.432  162.188   14.610  171.271   14.901  152.985   7.0475  157.237   6.9933 -4.252426 9.928432 
1 1 1    6    8   76 o   68.082   8.7787   33.477   7.5961   37.422   12.891   31.379   9.4017   69.923   14.091   66.242   10.473 3.680656 17.55730 
1 1 1    6    8   77 o   72.584   9.6155   37.521   9.4579   0.0000   0.0000   37.521   9.4579  ?   ?    72.584   9.6155      ?      ? 
1 1 1    6    8   78 o   81.002   7.7259   46.777   8.0803   50.534   13.866   44.844   9.9429   82.655   12.380   79.350   9.2467 3.305168 15.45177 
1 1 1    6    8   79 o   73.918   8.5680   40.475   7.9668   42.507   13.532   39.398   9.8558   73.838   14.037   73.997   9.8287 -0.1587448 17.13603 
1 1 1    6    8   80 o   32.761   8.8857   4.1709   6.6032 -11.3461   11.316   12.182   8.1311   25.370   12.064   40.152   13.049 -14.78159 17.77143 
1 1 1    6    8   81 o   78.385   9.0367   50.332   8.3521   37.537   14.357   56.877   10.268   67.434   15.960   89.335   8.4820 -21.90096 18.07347 
1 1 1    6    8   82 o   46.000   10.887   16.356   8.5682   24.513   11.938   7.6887   12.305   54.378   15.465   37.622   15.328 16.75632 21.77432 
1 1 1    6    8   83 o  124.589   8.0110  114.543   13.226   86.067   17.801  149.631   19.760  106.407   12.345  142.770   10.213 -36.36290 16.02206 
1 1 1    6    8   84 o   65.102   11.217   36.446   10.082   46.761   14.163   25.847   14.356   76.043   14.268   54.162   17.314 21.88134 22.43501 
1 1 1    6    8   85 o   63.282   10.559   32.657   9.8349   16.038   13.258   52.991   14.665   44.400   16.506   82.164   13.171 -37.76371 21.11735 
1 1 1    6    8   86 o   30.236   13.544  -0.5829   11.449  -0.5829   11.449   0.0000   0.0000   30.236   13.544  ?   ?       ?      ? 
1 1 1    6    8   87 o   76.231   10.518   48.843   10.619   39.674   14.457   59.583   15.648   66.698   16.164   85.764   13.464 -19.06640 21.03690 
1 1 1    6    8   88 o   38.190   10.621   8.3090   8.9853  -3.6143   12.646   20.465   12.769   29.326   13.553   47.054   16.357 -17.72737 21.24222 
1 1 1    6    8   89 o   66.914   10.937   40.961   10.663   22.104   14.595   62.554   15.617   47.217   17.362   86.611   13.306 -39.39420 21.87435 
1 1 1    6    8   90 o   35.430   15.014   8.4882   12.486   0.0000   0.0000   8.4882   12.486  ?   ?    35.430   15.014      ?      ? 
1 1 1    6    8   91 o   29.984   9.6498   0.0259   8.8034  -6.0579   12.691   5.6682   12.222   27.171   12.878   32.796   14.375 -5.625042 19.29951 
1 1 1    6    9    0 o  644.781   9.4637  2801.81   77.609  2765.74   94.344  2877.33  136.492  638.570   10.902  650.991   15.472 -12.42041 18.92747 
1 1 1    6    9    1 o  132.460   5.2564  118.507   8.8470  117.702   10.760  120.186   15.543  131.779   6.0254  133.141   8.6148 -1.361969 10.51285 
1 1 1    6    9    2 o  563.039   6.9909  2149.84   53.338  2158.66   75.224  2140.92   75.640  564.203   9.8388  561.875   9.9341 2.327881 13.98172 
1 1 1    6    9    3 o  672.698   8.0253  3068.72   73.146  3026.20  102.282  3113.22  104.646  667.934   11.300  677.462   11.399 -9.527893 16.05065 
1 1 1    6    9    4 o  307.345   4.8547  640.340   20.209  666.946   28.705  614.192   28.457  313.677   6.7530  301.012   6.9763 12.66513 9.709326 
1 1 1    6    9    5 o  790.398   9.1887  4239.08   98.418  4221.79  138.551  4256.69  139.824  788.775   12.962  792.022   13.028 -3.247681 18.37749 
1 1 1    6    9    6 o  317.902   4.9324  684.808   21.240  676.971   29.550  693.185   30.551  316.022   6.9001  319.781   7.0501 -3.759125 9.864845 
1 1 1    6    9    7 o  875.598   10.057  5204.11  119.336  5202.11  168.423  5206.12  169.112  875.433   14.197  875.764   14.250 -0.3310547 20.11482 
1 1 1    6    9    8 o  326.669   4.9970  723.352   22.117  722.057   30.983  724.697   31.582  326.372   7.0054  326.966   7.1277 -0.5934143 9.993989 
1 1 1    6    9    9 o  791.434   9.2054  4248.86   98.703  4170.92  137.711  4331.20  141.544  783.979   12.962  798.889   13.074 -14.91058 18.41085 
1 1 1    6    9   10 o  835.655   11.197  4731.03  109.198  4719.75  125.687  4765.79  220.536  834.125   11.119  837.186   19.439 -3.061157 22.39451 
1 1 1    6    9   11 o   92.562   5.6614   49.164   6.0234   42.517   6.7260   76.087   13.537   79.200   6.2668  105.924   9.4305 -26.72382 11.32288 
1 1 1    6    9   12 o  235.296   5.1994  365.844   14.008  357.935   15.908  393.144   29.555  229.810   5.1081  240.782   9.0577 -10.97144 10.39881 
1 1 1    6    9   13 o  1037.61   13.597  7356.15  165.794  7390.81  191.848  7253.92  329.506  1043.43   13.568  1031.78   23.566 11.64807 27.19300 
1 1 1    6    9   14 o  807.752   10.874  4450.33  103.026  4469.00  119.075  4394.75  205.481  811.638   10.826  803.865   18.863 7.772644 21.74879 
1 1 1    6    9   15 o  1097.42   14.322  8147.98  183.258  8101.70  210.696  8291.76  371.382  1092.29   14.234  1102.55   24.856 -10.26917 28.64363 
1 1 1    6    9   16 o  420.748   6.6565  1182.00   32.301  1165.55   36.867  1236.35   67.006  414.652   6.5610  426.843   11.584 -12.19141 13.31309 
1 1 1    6    9   17 o  836.929   11.191  4717.64  108.826  4678.37  124.819  4842.13  222.215  830.349   11.093  843.510   19.440 -13.16138 22.38233 
1 1 1    6    9   18 o  648.182   9.0375  2843.93   68.305  2835.85   78.577  2868.91  138.180  646.628   8.9672  649.735   15.694 -3.106812 18.07501 
1 1 1    6    9   19 o  532.164   7.8008  1926.54   48.514  1931.20   55.942  1912.42   97.432  533.671   7.7354  530.656   13.549 3.014099 15.60159 
1 1 1    6    9   20 o  389.296   6.4196  1041.51   29.215  1055.11   33.785  1001.18   58.170  394.510   6.3195  384.081   11.176 10.42932 12.83919 
1 1 1    6    9   21 o  216.723   5.2399  319.717   13.121  320.853   15.052  316.123   26.774  217.570   5.1052  215.876   9.1522 1.694458 10.47977 
1 1 1    6    9   22 o  467.300   7.5539  1482.62   44.943  1483.86   54.874  1480.08   78.332  467.727   8.6575  466.874   12.381 0.8529358 15.10770 
1 1 1    6    9   23 o  336.675   6.2478  782.646   27.111  722.703   45.127  816.502   33.914  326.343   10.204  347.007   7.2121 -20.66370 12.49555 
1 1 1    6    9   24 o  257.513   5.6029  450.380   18.508  447.782   31.747  451.718   22.780  256.909   9.1188  258.116   6.5127 -1.207550 11.20574 
1 1 1    6    9   25 o  298.399   6.8793  603.784   27.818   0.0000   0.0000  603.784   27.818  ?   ?   298.399   6.8793      ?      ? 
1 1 1    6    9   26 o  683.366   8.1601  3170.70   75.558  3232.23  107.807  3111.30  105.927  689.881   11.532  676.851   11.549 13.02997 16.32020 
1 1 1    6    9   27 o  209.831   4.4064  298.322   12.524  290.990   17.409  306.188   18.031  207.161   6.2013  212.501   6.2616 -5.339813 8.812746 
1 1 1    6    9   28 o  230.238   4.4790  359.449   13.973  358.791   19.584  360.131   19.942  230.025   6.2825  230.451   6.3856 -0.4261932 8.958008 
1 1 1    6    9   29 o  321.324   5.0126  700.180   21.819  726.604   31.090  674.534   30.629  327.300   7.0095  315.347   7.1673 11.95288 10.02513 
1 1 1    6    9   30 o  1048.18   11.888  7492.23  168.854  7476.15  238.242  7508.45  239.352  1047.06   16.791  1049.30   16.833 -2.242432 23.77521 
1 1 1    6    9   31 o  193.049   5.3085  244.158   13.071  228.596   15.767  278.363   23.376  183.588   6.3375  202.509   8.5180 -18.92119 10.61699 
1 1 1    6    9   32 o  393.244   6.7708  1055.93   34.036  1067.49   41.831  1033.27   58.547  396.608   7.7831  389.879   11.081 6.728363 13.54153 
1 1 1    6    9   33 o  300.971   6.9533  614.602   28.359   0.0000   0.0000  614.602   28.359  ?   ?   300.971   6.9533      ?      ? 
1 1 1    6    9   34 o  220.863   9.0918  331.344   27.212   0.0000   0.0000  331.344   27.212  ?   ?   220.863   9.0918      ?      ? 
1 1 1    6    9   35 o   57.525   8.4887   23.688   6.0528   24.913   7.2891   20.967   10.863   60.560   8.8820   54.489   14.469 6.070263 16.97739 
1 1 1    6    9   36 o  445.649   5.9747  1348.06   36.067  1318.02   50.135  1380.28   51.926  440.514   8.3985  450.784   8.5003 -10.26978 11.94946 
1 1 1    6    9   37 o  389.965   5.5168  1032.62   29.151  1028.54   40.908  1036.84   41.552  389.186   7.7565  390.743   7.8473 -1.557281 11.03368 
1 1 1    6    9   38 o  237.677   4.5556  383.534   14.667  393.537   20.650  373.349   20.836  240.813   6.3277  234.542   6.5554 6.271149 9.111203 
1 1 1    6    9   39 o  202.378   4.4320  277.045   12.134  257.286   16.650  299.424   17.719  194.706   6.3103  210.050   6.2250 -15.34438 8.864023 
1 1 1    6    9   40 o  252.196   4.6015  431.693   15.723  429.398   21.990  434.092   22.490  251.515   6.4518  252.878   6.5628 -1.363007 9.203046 
1 1 1    6    9   41 o  372.953   5.3911  944.913   27.245  941.756   38.273  948.157   38.792  372.327   7.5855  373.580   7.6625 -1.253174 10.78216 
1 1 1    6    9   42 o  184.644   5.4262  233.846   12.892  224.564   21.770  238.858   15.998  181.710   8.8411  187.578   6.2936 -5.867142 10.85240 
1 1 1    6    9   43 o  402.659   6.9199  1111.74   35.790  1078.87   60.815  1129.15   44.267  397.754   11.283  407.564   8.0150 -9.809967 13.83982 
1 1 1    6    9   44 o  204.081   5.4177  281.066   14.204  289.390   24.493  276.849   17.436  206.243   8.7637  201.918   6.3720 4.324585 10.83538 
1 1 1    6    9   45 o  263.867   5.7700  475.556   19.557  467.070   33.339  480.007   24.148  261.905   9.3936  265.829   6.7033 -3.923370 11.54008 
1 1 1    6    9   46 o  169.387   4.4723  194.740   10.262  189.886   14.291  199.908   14.745  167.210   6.3071  171.564   6.3423 -4.353699 8.944503 
1 1 1    6    9   47 o  174.704   4.4527  207.350   10.539  209.584   14.792  205.046   15.020  175.666   6.2138  173.742   6.3793 1.923676 8.905374 
1 1 1    6    9   48 o  145.482   4.5395  143.506   8.9214  128.279   12.340  160.182   12.913  137.400   6.6273  153.564   6.2054 -16.16464 9.078994 
1 1 1    6    9   49 o  136.969   4.6384  127.266   8.6009  119.926   11.907  135.274   12.438  132.843   6.6141  141.095   6.5049 -8.251526 9.276870 
1 1 1    6    9   50 o  172.521   4.5892  201.495   10.708  188.191   14.629  216.850   15.717  166.410   6.4873  178.631   6.4928 -12.22125 9.178325 
1 1 1    6    9   51 o  242.240   5.7844  407.657   17.868  425.112   22.105  374.754   30.349  250.089   6.5225  234.390   9.5548 15.69904 11.56878 
1 1 1    6    9   52 o  219.701   4.6380  327.992   13.805  321.319   19.276  335.019   19.781  217.410   6.5426  221.992   6.5756 -4.582581 9.275967 
1 1 1    6    9   53 o   75.732   7.6952   35.515   7.4689   28.326   8.9572   51.919   13.531   64.386   10.266   87.079   11.466 -22.69258 15.39041 
1 1 1    6    9   54 f   63.394   10.762   28.957   9.1887   33.887   12.896   23.875   13.095   68.910   14.280   57.878   16.106 11.03149 21.52493 
1 1 1    6    9   55 o  127.261   5.9512  106.334   9.6758   98.923   11.680  122.547   17.275  120.562   7.1488  133.960   9.5164 -13.39751 11.90243 
1 1 1    6    9   56 o  178.798   4.6695  217.501   11.311  223.464   16.008  211.556   15.984  181.255   6.5174  176.342   6.6889 4.913803 9.339068 
1 1 1    6    9   57 o  168.035   4.7146  192.171   10.730  200.126   15.217  184.304   15.132  171.508   6.5472  164.563   6.7855 6.944458 9.429168 
1 1 1    6    9   58 o  138.909   4.9229  131.504   9.2568  138.140   13.062  124.808   13.120  142.452   6.7665  135.367   7.1523 7.085327 9.845850 
1 1 1    6    9   59 o  207.527   6.6709  293.238   18.760   0.0000   0.0000  293.238   18.760  ?   ?   207.527   6.6709      ?      ? 
1 1 1    6    9   60 o  128.123   7.2421  112.942   12.536  105.138   17.970  120.340   17.496  123.724   10.718  132.522   9.7422 -8.798309 14.48411 
1 1 1    6    9   61 o  233.369   9.5788  373.414   30.293   0.0000   0.0000  373.414   30.293  ?   ?   233.369   9.5788      ?      ? 
1 1 1    6    9   62 o  191.998   5.9186  259.069   14.532  230.378   24.279  275.087   18.141  183.142   9.7825  200.854   6.6649 -17.71231 11.83719 
1 1 1    6    9   63 o  199.019   4.7437  270.148   12.790  261.959   17.875  278.740   18.309  195.925   6.7326  202.113   6.6846 -6.188034 9.487436 
1 1 1    6    9   64 o   74.246   6.8382   38.416   6.7545   30.203   9.5692   46.572   9.5354   66.110   10.681   82.383   8.5411 -16.27354 13.67637 
1 1 1    6    9   65 o  146.690   6.9268  147.151   13.769   0.0000   0.0000  147.151   13.769  ?   ?   146.690   6.9268      ?      ? 
1 1 1    6    9   66 o   78.999   6.5686   43.086   7.0184   39.759   9.8598   46.503   9.9927   75.858   9.5913   82.139   8.9774 -6.280495 13.13727 
1 1 1    6    9   67 o   70.022   8.4095   32.619   7.5598   26.907   9.3068   43.699   12.961   61.102   11.665   78.943   12.116 -17.84093 16.81898 
1 1 1    6    9   68 o  124.133   5.1439  105.923   8.6400  113.162   12.272   98.806   12.167  128.393   7.0530  119.874   7.4897 8.519661 10.28786 
1 1 1    6    9   69 o  107.749   5.4571   80.032   7.9679   79.144   11.204   80.940   11.333  107.145   7.7167  108.354   7.7185 -1.208534 10.91429 
1 1 1    6    9   70 o  125.928   5.1433  109.300   8.7768  109.406   12.372  109.193   12.453  125.998   7.2457  125.859   7.3016 0.1392746 10.28655 
1 1 1    6    9   71 o   73.575   8.4815   39.532   7.6580   40.362   9.3568   37.847   13.328   76.058   9.0782   71.091   14.329 4.967514 16.96293 
1 1 1    6    9   72 o   98.700   6.7999   65.763   8.6530   60.237   10.532   77.242   15.180   93.001   8.3564  104.399   10.730 -11.39803 13.59985 
1 1 1    6    9   73 o  103.386   5.5194   74.377   7.7310   76.196   10.934   72.559   10.933  104.684   7.7072  102.089   7.9027 2.595589 11.03878 
1 1 1    6    9   74 o   93.646   5.8160   61.277   7.3748   58.256   10.216   64.565   10.658   91.226   8.2636   96.067   8.1865 -4.841812 11.63205 
1 1 1    6    9   75 o  104.260   6.6252   75.575   8.9843   82.578   15.237   71.843   11.124  107.306   10.479  101.215   8.1099 6.090523 13.25040 
1 1 1    6    9   76 o   67.309   10.466   32.641   9.5467   0.0000   0.0000   32.641   9.5467  ?   ?    67.309   10.466      ?      ? 
1 1 1    6    9   77 o  120.439   7.6755  101.882   12.527   0.0000   0.0000  101.882   12.527  ?   ?   120.439   7.6755      ?      ? 
1 1 1    6    9   78 o   33.975   9.6909   5.7197   6.7856   2.8241   11.470   7.2786   8.4163   33.550   14.309   34.400   13.073 -0.8502884 19.38181 
1 1 1    6    9   79 o   56.534   9.9177   26.730   7.5456   19.966   12.632   30.482   9.4084   49.517   16.274   63.550   11.341 -14.03333 19.83548 
1 1 1    6    9   80 o   85.511   8.9048   55.173   10.302   52.046   14.103   58.751   15.086   82.955   12.545   88.066   12.641 -5.110878 17.80963 
1 1 1    6    9   81 o   44.977   11.329   15.435   8.7561   11.284   11.730   20.660   13.159   40.245   15.400   49.708   16.621 -9.462959 22.65868 
1 1 1    6    9   82 o   49.429   11.618   19.640   9.2086   13.671   12.139   27.730   14.132   42.437   15.791   56.420   17.045 -13.98301 23.23581 
1 1 1    6    9   83 o   60.612   11.262   31.832   9.5235   37.382   13.135   25.681   13.828   67.204   14.822   54.020   16.960 13.18392 22.52417 
1 1 1    6    9   84 o   60.224   11.689   31.937   9.8121   30.052   13.384   34.126   14.427   58.469   16.287   61.980   16.770 -3.510910 23.37758 
1 1 1    6    9   85 o   74.835   10.743   47.828   10.634   52.068   14.427   42.784   15.737   80.780   13.179   68.889   16.969 11.89076 21.48553 
1 1 1    6    9   86 o   57.114   16.732   30.279   13.783   30.279   13.783   0.0000   0.0000   57.114   16.732  ?   ?       ?      ? 
1 1 1    6    9   87 o   37.789   10.766   8.5581   9.1472  -1.4666   12.888   18.734   12.985   30.508   13.945   45.071   16.406 -14.56317 21.53178 
1 1 1    6    9   88 o   59.695   11.862   34.797   10.188   42.211   14.629   27.815   14.196   66.916   16.286   52.474   17.252 14.44169 23.72473 
1 1 1    6    9   89 o   40.483   11.411   14.756   9.5924   9.5798   13.372   20.243   13.768   36.345   15.474   44.622   16.775 -8.277710 22.82211 
1 1 1    6    9   90 o   39.269   16.195   14.744   13.946   0.0000   0.0000   14.744   13.946  ?   ?    39.269   16.195      ?      ? 
1 1 1    6   10    0 o  280.446   4.7812  533.347   18.163  541.059   25.432  525.319   25.948  282.518   6.6427  278.374   6.8785 4.144226 9.562374 
1 1 1    6   10    1 o  182.224   4.4047  224.912   10.868  221.073   15.023  229.128   15.743  180.595   6.1384  183.854   6.3186 -3.258698 8.809371 
1 1 1    6   10    2 o  838.542   9.6986  4773.45  110.203  4740.27  154.865  4807.49  156.855  835.594   13.676  841.489   13.755 -5.894104 19.39720 
1 1 1    6   10    3 o  249.012   4.5820  420.268   15.454  418.388   21.507  422.274   22.223  248.438   6.3881  249.586   6.5704 -1.147903 9.163976 
1 1 1    6   10    4 o  520.796   6.6177  1837.48   46.675  1784.11   64.608  1895.74   67.503  512.898   9.2955  528.693   9.4218 -15.79535 13.23549 
1 1 1    6   10    5 o  171.661   4.4291  199.229   10.290  188.156   14.142  211.687   15.000  166.606   6.2636  176.716   6.2638 -10.11072 8.858205 
1 1 1    6   10    6 o  454.408   6.0299  1399.70   37.122  1443.27   53.029  1357.83   51.984  461.342   8.4822  447.474   8.5727 13.86746 12.05983 
1 1 1    6   10    7 o  434.652   5.8628  1281.10   34.531  1283.71   48.604  1278.45   49.068  435.100   8.2433  434.205   8.3391 0.8946533 11.72569 
1 1 1    6   10    8 o  214.679   4.4762  312.384   13.015  311.448   18.101  313.386   18.728  214.348   6.2316  215.010   6.4276 -0.6629333 8.952450 
1 1 1    6   10    9 o  512.619   6.5510  1781.99   45.502  1763.32   63.728  1801.41   64.990  509.883   9.2231  515.356   9.3058 -5.473236 13.10203 
1 1 1    6   10   10 o  751.705   8.8358  3835.67   90.003  3811.49  126.526  3860.43  128.053  749.312   12.460  754.099   12.531 -4.787048 17.67160 
1 1 1    6   10   11 o  508.126   7.5585  1741.63   44.581  1732.07   51.139  1771.88   90.991  505.424   7.4665  510.827   13.144 -5.402802 15.11709 
1 1 1    6   10   12 f  371.924   6.2628  935.654   26.995  933.293   30.965  943.131   55.102  371.045   6.1584  372.802   10.907 -1.756989 12.52554 
1 1 1    6   10   13 o  598.140   8.5035  2413.02   59.084  2398.32   67.792  2459.46  120.502  594.667   8.4124  601.612   14.781 -6.945374 17.00702 
1 1 1    6   10   14 o  674.653   9.3839  3119.00   74.420  3147.55   86.217  3035.58  147.389  681.167   9.3403  668.139   16.279 13.02808 18.76789 
1 1 1    6   10   15 f  299.706   5.6567  600.238   19.539  592.403   22.299  626.144   40.547  295.624   5.5662  303.787   9.8493 -8.163696 11.31333 
1 1 1    6   10   16 o  267.555   5.4968  485.811   17.065  486.146   19.601  484.761   34.685  267.804   5.4012  267.305   9.5753 0.4994812 10.99356 
1 1 1    6   10   17 f  335.033   6.2765  742.995   26.420  714.120   31.586  810.261   48.208  324.523   7.1822  345.542   10.295 -21.01865 12.55297 
1 1 1    6   10   18 o  109.891   6.0646   79.659   8.4332   75.898   10.127   88.164   15.230  105.797   7.0638  113.985   9.8600 -8.188011 12.12919 
1 1 1    6   10   19 o  207.599   5.2712  292.175   12.660  292.086   14.518  292.456   25.864  207.581   5.1609  207.617   9.1928 -0.3622437E-01 10.54239 
1 1 1    6   10   20 o  280.262   5.6012  534.052   18.222  535.268   20.944  530.260   36.967  280.996   5.5001  279.527   9.7592 1.468750 11.20234 
1 1 1    6   10   21 o  241.161   5.5065  407.583   15.377  420.596   17.794  369.193   30.562  249.087   5.2715  233.236   9.6694 15.85118 11.01296 
1 1 1    6   10   22 o  401.710   6.5625  1097.41   30.673  1099.59   35.291  1090.70   62.021  402.690   6.4671  400.730   11.421 1.959778 13.12493 
1 1 1    6   10   23 o  531.205   7.8128  1892.90   48.061  1871.46   54.997  1962.17   98.864  525.244   7.7268  537.167   13.581 -11.92358 15.62552 
1 1 1    6   10   24 o  256.232   5.4621  442.277   16.181  439.439   18.523  451.418   33.246  254.591   5.3690  257.872   9.5138 -3.281570 10.92425 
1 1 1    6   10   25 o  368.404   6.2612  919.464   26.806  917.833   30.796  924.564   54.456  367.894   6.1771  368.913   10.893 -1.019165 12.52243 
1 1 1    6   10   26 o  117.052   5.5235   90.440   8.3847   84.788   10.303  101.526   14.429  111.803   6.8001  122.300   8.7061 -10.49667 11.04703 
1 1 1    6   10   27 o  357.048   6.3556  858.963   28.966  846.287   35.321  884.994   50.618  353.173   7.3801  360.923   10.349 -7.749634 12.71122 
1 1 1    6   10   28 o  115.930   5.6722   91.513   8.4100   92.118   10.329   90.324   14.486  116.533   6.5406  115.327   9.2691 1.206596 11.34444 
1 1 1    6   10   29 o  105.175   4.9239   74.993   7.0138   71.535   9.7790   78.657   10.065  102.678   7.0280  107.672   6.8982 -4.993164 9.847726 
1 1 1    6   10   30 o  523.303   6.6551  1859.76   47.184  1829.45   65.886  1891.68   67.603  518.933   9.3691  527.673   9.4541 -8.739380 13.31014 
1 1 1    6   10   31 o  184.391   5.6095  236.854   12.971  247.743   15.819  214.513   22.658  191.102   6.1084  177.680   9.4102 13.42291 11.21892 
1 1 1    6   10   32 o  223.070   5.6294  338.100   15.839  338.485   19.176  337.274   28.098  223.357   6.3356  222.782   9.3071 0.5745392 11.25880 
1 1 1    6   10   33 o  379.350   6.7092  969.982   32.148  955.831   38.822  1000.86   57.344  375.199   7.6355  383.501   11.034 -8.301880 13.41845 
1 1 1    6   10   34 o  143.842   4.5196  140.631   8.7941  149.176   12.372  131.906   12.502  148.273   6.1574  139.411   6.6177 8.862061 9.039271 
1 1 1    6   10   35 o  395.616   7.9274  1063.13   42.500   0.0000   0.0000  1063.13   42.500  ?   ?   395.616   7.9274      ?      ? 
1 1 1    6   10   36 o  334.997   5.1217  761.946   23.248  755.774   32.562  768.363   33.202  333.618   7.2023  336.377   7.2837 -2.758606 10.24336 
1 1 1    6   10   37 o   88.069   5.3644   52.495   6.3869   47.784   8.7657   57.826   9.3251   83.869   7.7127   92.269   7.4579 -8.400658 10.72871 
1 1 1    6   10   38 o  315.278   4.9986  675.072   21.355  676.835   30.073  673.279   30.330  315.697   7.0294  314.859   7.1084 0.8384399 9.997115 
1 1 1    6   10   39 o  199.654   4.4598  270.655   12.064  274.551   16.999  266.700   17.125  201.107   6.2376  198.202   6.3759 2.904419 8.919611 
1 1 1    6   10   40 o  141.922   6.4654  136.766   12.434   0.0000   0.0000  136.766   12.434  ?   ?   141.922   6.4654      ?      ? 
1 1 1    6   10   41 o  348.570   7.4535  825.691   35.207   0.0000   0.0000  825.691   35.207  ?   ?   348.570   7.4535      ?      ? 
1 1 1    6   10   42 o  143.201   5.5143  136.142   10.194  150.041   17.657  129.193   12.485  148.490   8.7751  137.912   6.6806 10.57788 11.02869 
1 1 1    6   10   43 o  138.777   4.6037  130.651   8.6518  126.426   11.964  135.282   12.526  136.430   6.4714  141.123   6.5497 -4.693100 9.207483 
1 1 1    6   10   44 o  128.296   4.6919  111.719   8.1533  107.568   11.333  116.171   11.738  125.828   6.6466  130.764   6.6241 -4.935936 9.383856 
1 1 1    6   10   45 o  324.333   5.1105  715.106   22.458  733.645   31.881  696.848   31.640  328.515   7.1614  320.151   7.2928 8.363892 10.22106 
1 1 1    6   10   46 o  249.274   4.6905  422.023   15.839  412.673   22.068  431.959   22.748  246.430   6.6082  252.117   6.6584 -5.687103 9.380916 
1 1 1    6   10   47 o  173.032   5.4467  195.393   11.996  181.004   14.417  227.770   21.627  163.202   6.5189  182.862   8.7276 -19.65974 10.89343 
1 1 1    6   10   48 o  173.571   5.5635  205.447   12.309  206.231   15.060  203.868   21.366  174.204   6.3793  172.938   9.1167 1.266174 11.12700 
1 1 1    6   10   49 o  144.661   5.7974  141.451   10.719  139.360   13.089  145.709   18.677  143.169   6.7465  146.154   9.4299 -2.985931 11.59478 
1 1 1    6   10   50 o  208.525   5.6936  297.483   15.220  291.879   26.041  300.390   18.757  206.851   9.2901  210.198   6.5849 -3.346542 11.38716 
1 1 1    6   10   51 o  223.088   4.7129  338.319   14.240  354.603   20.334  322.647   19.948  228.366   6.5706  217.811   6.7582 10.55484 9.425845 
1 1 1    6   10   52 o  405.192   5.7525  1118.49   31.582  1144.84   44.950  1092.81   44.382  409.915   8.0920  400.469   8.1781 9.446106 11.50491 
1 1 1    6   10   53 o   53.818   8.2417   20.444   6.0320   12.858   8.4276   28.411   8.6373   43.159   13.190   64.477   9.8853 -21.31822 16.48346 
1 1 1    6   10   54 o  300.860   6.1908  605.125   23.501  584.355   28.232  651.985   42.407  292.986   7.1107  308.734   10.136 -15.74789 12.38157 
1 1 1    6   10   55 o  135.961   6.0943  127.226   10.486  129.211   12.784  123.143   18.330  137.777   6.8473  134.145   10.083 3.632141 12.18851 
1 1 1    6   10   56 o  292.275   4.9979  581.820   19.795  579.774   27.916  583.889   28.073  291.760   7.0607  292.790   7.0753 -1.030396 9.995702 
1 1 1    6   10   57 o  172.805   4.7272  203.357   11.069  200.370   15.653  206.345   15.655  171.530   6.7339  174.081   6.6363 -2.551239 9.454397 
1 1 1    6   10   58 o   98.111   6.7635   63.090   8.5534   75.171   15.065   57.343   10.391  104.615   10.627   91.607   8.3700 13.00831 13.52710 
1 1 1    6   10   59 f  306.274   6.2523  639.876   24.459  649.024   42.490  635.342   29.911  307.386   10.200  305.161   7.2331 2.225037 12.50462 
1 1 1    6   10   60 o   62.988   9.5336   29.512   7.6005   23.799   13.186   32.354   9.3012   57.371   16.232   68.604   10.005 -11.23319 19.06721 
1 1 1    6   10   61 o   40.158   10.067   6.3945   6.7779   18.425   12.327   1.1806   8.1148   51.159   16.005   29.157   12.215 22.00189 20.13427 
1 1 1    6   10   62 o  131.227   5.0265  117.763   8.9265  110.060   12.557  125.633   12.692  126.855   7.3045  135.600   6.9071 -8.744789 10.05302 
1 1 1    6   10   63 o   66.523   7.8213   32.322   6.6063   21.395   9.4723   42.672   9.2184   54.256   13.044   78.790   8.6339 -24.53346 15.64252 
1 1 1    6   10   64 o  140.712   6.9110  136.843   13.175  140.283   18.883  133.579   18.391  142.432   9.7831  138.992   9.7641 3.439728 13.82198 
1 1 1    6   10   65 o  129.317   6.0803  111.222   10.178  102.393   12.448  129.025   17.677  122.112   7.5224  136.522   9.5548 -14.40927 12.16064 
1 1 1    6   10   66 o   59.856   8.0303   26.473   6.2893   40.480   9.0227   13.236   8.7715   76.536   8.6994   43.176   13.500 33.36028 16.06055 
1 1 1    6   10   67 o   43.772   9.1046   13.679   5.9165   18.050   8.4497   9.4742   8.2869   49.552   12.565   37.993   13.179 11.55836 18.20918 
1 1 1    6   10   68 o   84.077   6.2034   49.355   6.9963   41.337   9.8663   57.466   9.9225   77.004   9.4549   91.149   8.0332 -14.14455 12.40673 
1 1 1    6   10   69 o  101.471   5.5288   71.281   7.6021   71.734   10.813   70.839   10.690  101.783   7.8397  101.158   7.7980 0.6249237 11.05753 
1 1 1    6   10   70 o   88.818   5.9814   55.008   7.1885   51.679   10.172   58.329   10.160   86.055   8.7228   91.582   8.1865 -5.527573 11.96272 
1 1 1    6   10   71 o  118.217   6.4503   96.467   9.7162   93.360   11.799  103.012   17.126  115.974   7.5076  120.461   10.491 -4.486526 12.90058 
1 1 1    6   10   72 o   66.039   9.2728   31.943   7.7134   36.210   13.093   29.674   9.5459   68.698   14.518   63.380   11.539 5.317734 18.54561 
1 1 1    6   10   73 o   59.218   9.2992   29.694   7.4593   14.411   12.393   38.376   9.3407   44.845   16.068   73.591   9.3664 -28.74559 18.59845 
1 1 1    6   10   74 o   65.166   9.3067   36.150   7.7033   19.758   12.766   45.537   9.6603   50.131   16.354   80.201   8.8884 -30.06996 18.61342 
1 1 1    6   10   75 o   43.385   10.090   14.106   6.7072   14.799   11.065   13.704   8.4330   44.308   15.237   42.461   13.231 1.846542 20.17961 
1 1 1    6   10   76 o   40.569   13.501   12.318   8.6845   0.0000   0.0000   12.318   8.6845  ?   ?    40.569   13.501      ?      ? 
1 1 1    6   10   77 o   43.654   15.824   14.249   12.061   0.0000   0.0000   14.249   12.061  ?   ?    43.654   15.824      ?      ? 
1 1 1    6   10   78 o   57.432   10.959   26.517   8.9562   18.359   12.037   36.637   13.405   47.665   15.896   67.198   15.090 -19.53305 21.91803 
1 1 1    6   10   79 o   31.837   9.6775  -1.3012   7.8050  -8.8867   10.175   9.5431   12.166   24.649   11.637   39.024   15.466 -14.37500 19.35502 
1 1 1    6   10   80 f   67.154   10.436   34.796   9.6930   19.859   12.607   56.392   15.159   48.767   16.269   85.541   13.077 -36.77398 20.87276 
1 1 1    6   10   81 o   50.062   11.447   21.496   9.0736   25.710   12.270   16.411   13.478   54.990   15.693   45.133   16.670 9.856720 22.89442 
1 1 1    6   10   82 o   57.044   11.229   27.366   9.3586   17.770   12.559   39.346   14.033   45.975   16.207   68.113   15.546 -22.13837 22.45742 
1 1 1    6   10   83 o   34.224   10.233   4.1067   8.5575   10.358   11.602  -3.3522   12.673   38.394   15.139   30.054   13.771 8.340584 20.46554 
1 1 1    6   10   84 o   65.264   11.564   38.046   10.227   33.380   13.978   43.421   15.001   60.564   16.557   69.964   16.149 -9.400528 23.12887 
1 1 1    6   10   85 o   83.536   10.465   59.708   11.519   52.362   16.123   67.368   16.464   76.457   16.071   90.615   13.408 -14.15792 20.92960 
1 1 1    6   10   86 o   67.018   16.296   41.868   14.656   41.868   14.656   0.0000   0.0000   67.018   16.296  ?   ?       ?      ? 
1 1 1    6   10   87 o   90.946   10.148   72.453   12.096   62.637   16.934   82.677   17.283   82.442   15.732   99.451   12.824 -17.00925 20.29651 
1 1 1    6   10   88 o   28.088   9.3221  -4.7243   9.0835  -9.5415   12.950  -0.0580   12.745   26.152   12.562   30.025   13.777 -3.873110 18.64423 
1 1 1    6   11    0 o  173.934   5.6764  203.819   12.525  208.988   22.131  201.383   15.193  175.520   9.3043  172.349   6.5050 3.170898 11.35274 
1 1 1    6   11    1 o  382.811   6.8332  1008.26   33.594  949.106   56.652  1040.35   41.722  373.944   11.180  391.677   7.8605 -17.73224 13.66641 
1 1 1    6   11    2 o  434.476   5.9155  1280.32   34.827  1284.27   49.029  1276.30   49.480  435.155   8.3143  433.797   8.4170 1.358124 11.83106 
1 1 1    6   11    3 o  551.572   6.9334  2063.15   51.810  2127.94   74.144  2001.31   72.429  560.034   9.7696  543.110   9.8410 16.92365 13.86688 
1 1 1    6   11    4 o  260.688   4.7335  460.960   16.714  470.088   23.436  451.510   23.844  263.319   6.5677  258.057   6.8184 5.261780 9.467086 
1 1 1    6   11    5 o  406.711   5.6876  1121.90   31.344  1129.19   44.123  1114.46   44.534  408.049   7.9795  405.373   8.1068 2.675934 11.37511 
1 1 1    6   11    6 o  475.050   6.2542  1528.97   40.235  1481.32   55.669  1581.09   58.218  467.312   8.7907  482.787   8.8985 -15.47516 12.50838 
1 1 1    6   11    7 o  275.322   4.7913  514.008   17.871  516.253   25.012  511.666   25.545  275.939   6.6887  274.705   6.8620 1.233551 9.582623 
1 1 1    6   11    8 o  397.336   5.6166  1069.32   30.221  1032.64   41.798  1109.51   43.746  390.206   7.9046  404.466   7.9813 -14.25934 11.23321 
1 1 1    6   11    9 o  270.149   5.7506  495.031   20.142  494.861   33.820  495.124   25.074  270.073   9.2409  270.224   6.8472 -0.1514893 11.50119 
1 1 1    6   11   10 o  383.058   6.7404  1010.32   33.449  943.822   55.243  1048.81   42.030  372.873   10.933  393.243   7.8870 -20.36981 13.48081 
1 1 1    6   11   11 o  519.005   9.4227  1830.63   66.262  1849.92   93.222  1810.93   94.202  521.784   13.184  516.225   13.466 5.558655 18.84539 
1 1 1    6   11   12 o  228.921   5.7016  347.430   16.206  336.048   19.220  375.432   30.146  222.627   6.3707  235.215   9.4577 -12.58862 11.40319 
1 1 1    6   11   13 o  282.284   5.6902  541.211   18.402  541.819   21.019  539.214   38.083  282.708   5.4863  281.859   9.9705 0.8488159 11.38031 
1 1 1    6   11   14 o  224.064   5.3397  331.802   13.664  324.634   15.500  356.787   28.937  218.834   5.2269  229.293   9.3127 -10.45970 10.67932 
1 1 1    6   11   15 o  255.287   5.5207  441.861   16.175  441.667   18.482  442.495   33.432  255.244   5.3433  255.330   9.6623 -0.8569336E-01 11.04133 
1 1 1    6   11   16 o  613.206   8.7170  2524.41   61.825  2496.56   70.714  2614.77  127.369  606.575   8.6027  619.836   15.164 -13.26172 17.43403 
1 1 1    6   11   17 o  250.198   5.5045  421.845   15.779  419.406   17.992  429.971   32.838  248.723   5.3379  251.673   9.6283 -2.949997 11.00902 
1 1 1    6   11   18 o  227.189   5.3692  347.345   14.025  344.882   16.012  355.465   29.068  225.545   5.2387  228.833   9.3739 -3.288300 10.73840 
1 1 1    6   11   19 o  290.698   5.6634  559.276   18.871  547.411   21.444  600.005   39.731  284.139   5.5692  297.258   9.8632 -13.11850 11.32690 
1 1 1    6   11   20 o  386.194   6.4505  1010.29   28.919  1008.19   33.204  1016.87   58.853  385.559   6.3550  386.830   11.227 -1.270538 12.90092 
1 1 1    6   11   21 o  371.221   6.2134  934.602   31.257  934.602   31.257   0.0000   0.0000  371.221   6.2134  ?   ?       ?      ? 
1 1 1    6   11   22 o  114.753   5.6584   89.298   8.7991   89.298   8.7991   0.0000   0.0000  114.753   5.6584  ?   ?       ?      ? 
1 1 1    6   11   23 o  255.993   5.6417  451.094   16.539  456.741   18.944  432.993   33.919  259.530   5.3863  252.456   9.9147 7.073898 11.28333 
1 1 1    6   11   24 o  414.100   6.6815  1152.01   31.984  1140.44   36.581  1189.53   65.900  410.008   6.5839  418.191   11.629 -8.183807 13.36306 
1 1 1    6   11   25 o  242.415   5.4256  395.699   15.198  392.828   17.391  404.980   31.269  240.680   5.3320  244.151   9.4508 -3.471436 10.85121 
1 1 1    6   11   26 o  253.488   5.4543  430.493   16.019  425.314   18.331  447.229   32.949  250.425   5.4016  256.550   9.4775 -6.125198 10.90870 
1 1 1    6   11   27 o  195.840   5.5146  257.526   13.628  252.676   16.426  268.235   24.411  192.984   6.2810  198.696   9.0659 -5.712097 11.02917 
1 1 1    6   11   28 o  239.017   5.7040  386.826   17.201  384.849   20.799  391.104   30.600  238.152   6.4447  239.883   9.4131 -1.730881 11.40793 
1 1 1    6   11   29 o  375.540   6.7188  951.797   31.892  939.726   38.553  977.963   56.759  372.014   7.6474  379.066   11.049 -7.052246 13.43760 
1 1 1    6   11   30 o  328.579   5.0949  732.935   22.682  751.738   32.226  714.474   31.931  332.760   7.1465  324.397   7.2637 8.363007 10.18989 
1 1 1    6   11   31 o  231.413   4.5636  363.408   14.304  379.794   20.374  347.481   20.086  236.562   6.3554  226.264   6.5509 10.29861 9.127158 
1 1 1    6   11   32 o  273.278   4.7517  507.027   17.594  517.239   24.881  496.812   24.883  276.036   6.6514  270.520   6.7877 5.516113 9.503389 
1 1 1    6   11   33 o  289.616   4.8567  569.478   19.054  590.252   27.086  549.125   26.810  294.852   6.7789  284.379   6.9569 10.47278 9.713476 
1 1 1    6   11   34 f  215.004   4.5157  313.452   13.149  301.251   18.254  326.614   18.958  210.659   6.3942  219.349   6.3780 -8.689651 9.031341 
1 1 1    6   11   35 f  175.312   4.4787  208.574   10.638  202.804   14.899  214.573   15.193  172.839   6.3611  177.786   6.3063 -4.947159 8.957323 
1 1 1    6   11   36 o  224.599   5.6522  345.931   16.222  333.633   27.815  352.271   19.971  221.423   9.2698  227.775   6.4700 -6.351532 11.30443 
1 1 1    6   11   37 o  218.481   5.6277  323.316   15.672  328.002   27.359  321.028   19.120  219.534   9.1965  217.428   6.4893 2.105194 11.25549 
1 1 1    6   11   38 o  275.821   5.8514  518.821   20.758  512.875   35.351  521.950   25.645  274.447   9.5051  277.194   6.8271 -2.747742 11.70286 
1 1 1    6   11   39 o  174.747   5.4399  209.041   12.278  202.786   20.622  212.476   15.282  172.615   8.8161  176.879   6.3755 -4.263062 10.87978 
1 1 1    6   11   40 o   98.252   5.1622   65.628   6.8712   63.703   9.7104   67.559   9.7242   96.804   7.4022   99.700   7.1974 -2.896179 10.32448 
1 1 1    6   11   41 o  117.088   4.8795   93.009   7.7083   81.483   10.662  105.630   11.157  109.487   7.1860  124.689   6.6031 -15.20262 9.759085 
1 1 1    6   11   42 o  232.972   4.6405  368.404   14.643  353.728   20.353  384.150   21.082  228.166   6.5825  237.779   6.5428 -9.613083 9.281031 
1 1 1    6   11   43 o  209.964   4.6359  299.321   13.182  293.026   18.251  306.186   19.059  207.665   6.4855  212.263   6.6260 -4.598846 9.271716 
1 1 1    6   11   44 o  173.489   5.5855  203.540   12.373  201.024   15.101  208.676   21.579  171.992   6.4793  174.986   9.1000 -2.993820 11.17097 
1 1 1    6   11   45 o  155.378   6.5894  165.007   13.840  173.055   19.244  156.385   19.920  159.354   8.9116  151.403   9.7089 7.950745 13.17876 
1 1 1    6   11   46 o  113.209   5.2115   87.479   7.8547   67.313   10.857  109.630   11.378   99.428   8.0575  126.990   6.6119 -27.56219 10.42306 
1 1 1    6   11   47 o  150.125   4.6755  153.091   9.5021  143.563   13.240  163.213   13.645  145.303   6.7238  154.947   6.4986 -9.643433 9.351044 
1 1 1    6   11   48 o  188.470   4.6565  241.496   11.873  260.387   16.969  223.375   16.620  195.709   6.3982  181.232   6.7672 14.47791 9.313037 
1 1 1    6   11   49 o  188.384   4.6484  241.151   11.861  231.752   16.536  251.111   17.023  184.602   6.6103  192.165   6.5370 -7.563202 9.296723 
1 1 1    6   11   50 o   87.969   5.7425   52.772   6.8405   53.907   9.5585   51.580   9.7937   88.952   7.9296   86.987   8.3083 1.964905 11.48508 
1 1 1    6   11   51 o   68.098   6.7014   31.685   6.1823   32.621   8.7500   30.752   8.7361   69.110   9.3429   67.086   9.6096 2.024345 13.40276 
1 1 1    6   11   52 o   42.605   9.0377   12.563   5.7049   15.176   8.0169   9.8832   8.1200   46.211   12.500   39.000   13.056 7.210434 18.07532 
1 1 1    6   11   53 o  100.840   7.0150   73.070   8.8408   80.093   10.931   59.787   15.033  108.417   7.4400   93.264   11.895 15.15322 14.03002 
1 1 1    6   11   54 o  273.290   4.9567  508.091   18.344  483.441   25.450  534.740   26.462  266.393   7.0500  280.188   6.9694 -13.79459 9.913428 
1 1 1    6   11   55 o   52.054   9.1990   21.248   7.1054   5.9315   12.262   28.992   8.7185   39.066   15.513   65.042   9.8916 -25.97584 18.39804 
1 1 1    6   11   56 o  123.912   6.2400  104.805   9.8366  105.811   17.204  104.316   11.990  124.145   10.226  123.679   7.1537 0.4661636 12.47996 
1 1 1    6   11   57 o  125.616   5.0644  107.613   8.6184  110.504   12.366  104.883   12.018  127.254   7.1707  123.978   7.1535 3.276611 10.12873 
1 1 1    6   11   58 o  128.781   5.0172  113.224   8.7534  113.427   12.532  113.030   12.232  128.883   7.1752  128.678   7.0148 0.2041931 10.03444 
1 1 1    6   11   59 o  135.809   6.1235  128.123   10.546  121.873   18.265  131.248   12.916  132.984   10.135  138.634   6.8751 -5.649826 12.24710 
1 1 1    6   11   60 o   68.015   8.6171   32.097   7.3402   34.750   12.781   30.792   8.9663   69.214   14.105   66.817   9.9025 2.396957 17.23423 
1 1 1    6   11   61 o  139.451   5.9155  131.216   10.658  125.943   13.100  141.545   18.333  135.645   7.1265  143.256   9.4439 -7.610550 11.83102 
1 1 1    6   11   62 o   82.794   6.1280   47.209   6.8502   42.031   9.5489   52.699   9.8326   78.059   9.0271   87.528   8.2897 -9.468994 12.25590 
1 1 1    6   11   63 f  127.711   5.0324  111.913   8.6722   98.780   12.102  125.776   12.434  119.933   7.4461  135.489   6.7719 -15.55631 10.06490 
1 1 1    6   11   64 o  101.658   5.5076   71.283   7.5742   67.739   10.831   74.674   10.596   99.123   8.0634  104.193   7.5043 -5.070107 11.01514 
1 1 1    6   11   65 o  205.921   4.7768  291.201   13.329  287.275   18.787  295.180   18.914  204.514   6.7787  207.327   6.7321 -2.813675 9.553624 
1 1 1    6   11   66 o   86.138   6.0366   51.463   7.0455   52.386   10.062   50.575   9.8687   86.894   8.5449   85.382   8.5293 1.512077 12.07327 
1 1 1    6   11   67 o  101.276   5.6573   71.316   7.7376   65.530   11.043   76.895   10.845   97.114   8.3912  105.437   7.5901 -8.323296 11.31463 
1 1 1    6   11   68 o   54.996   10.064   21.323   7.2442   29.041   12.664   17.570   8.8319   61.546   15.260   48.445   13.127 13.10115 20.12867 
1 1 1    6   11   69 o   93.402   7.1639   59.329   8.6411   54.179   10.535   69.919   15.107   87.932   8.8408   98.873   11.275 -10.94131 14.32771 
1 1 1    6   11   70 o   83.554   8.8850   50.876   10.057   50.651   14.037   51.113   14.416   83.434   12.415   83.674   12.713 -0.2392197 17.77004 
1 1 1    6   11   71 o   49.441   10.588   18.207   8.5054   28.807   11.876   7.0461   12.187   60.825   14.595   38.056   15.344 22.76920 21.17681 
1 1 1    6   11   72 o  117.183   6.6147   98.859   9.9879   93.375   16.645  101.944   12.486  113.686   10.804  120.680   7.6347 -6.994102 13.22932 
1 1 1    6   11   73 o   61.211   9.6044   29.123   7.5285   28.777   12.517   29.319   9.4236   59.915   15.348   62.508   11.551 -2.592587 19.20880 
1 1 1    6   11   74 o  112.348   6.9679   95.167   9.9217   75.355   16.056  107.405   12.619  101.048   11.726  123.648   7.5312 -22.60102 13.93588 
1 1 1    6   11   75 o   39.673   10.994   9.0299   8.6291   4.9405   11.380   14.563   13.237   34.957   14.540   44.389   16.495 -9.432816 21.98844 
1 1 1    6   11   76 o  102.410   12.527   79.123   17.385   0.0000   0.0000   79.123   17.385  ?   ?   102.410   12.527      ?      ? 
1 1 1    6   11   77 o   56.658   10.889   22.731   9.5140   7.8750   12.084   46.953   15.430   37.602   15.238   75.715   15.559 -38.11390 21.77794 
1 1 1    6   11   78 o   41.850   10.670   7.9431   8.3712  -2.2210   10.434   26.308   14.025   28.533   12.844   55.166   17.042 -26.63260 21.33985 
1 1 1    6   11   79 o   28.378   9.2143  -4.3728   8.0060  -3.3971   10.489  -5.7343   12.391   27.795   12.657   28.960   13.395 -1.164951 18.42861 
1 1 1    6   11   80 o   34.093   10.196   4.4181   8.2695   7.9552   10.941  -0.2954   12.630   36.249   14.566   31.938   14.272 4.310287 20.39245 
1 1 1    6   11   81 o   35.365   10.469   6.2613   8.4573   8.2362   11.198   3.6395   12.903   36.397   14.697   34.333   14.913 2.064228 20.93847 
1 1 1    6   11   82 o  100.027   8.6730   78.533   11.707   78.627   15.903   78.422   17.296  100.765   11.647   99.289   12.855 1.476265 17.34598 
1 1 1    6   11   83 o   41.519   11.228   13.598   9.1548   6.8618   12.802   20.648   13.097   35.687   15.166   47.350   16.560 -11.66279 22.45532 
1 1 1    6   11   84 o   43.495   11.494   17.110   9.1878   14.092   12.955   20.165   13.032   40.759   16.021   46.232   16.486 -5.472599 22.98847 
1 1 1    6   11   85 o   44.860   16.789   19.726   13.761   19.726   13.761   0.0000   0.0000   44.860   16.789  ?   ?       ?      ? 
1 1 1    6   11   86 o   64.220   17.089   41.806   15.133   41.806   15.133   0.0000   0.0000   64.220   17.089  ?   ?       ?      ? 
1 1 1    6   11   87 o   28.223   9.2656  -4.9929   8.9133 -16.2630   12.616   6.2372   12.594   23.394   11.493   33.053   14.537 -9.659338 18.53110 
1 1 1    6   12    0 o  498.572   7.8789  1691.62   50.681  1677.05   85.820  1699.43   62.802  496.738   12.749  500.406   9.2612 -3.667145 15.75784 
1 1 1    6   12    1 o  330.509   6.2388  746.312   26.814  722.959   44.356  759.761   33.661  326.335   10.030  334.683   7.4219 -8.348389 12.47759 
1 1 1    6   12    2 o  429.317   5.9265  1250.55   34.478  1251.37   48.546  1249.71   48.974  429.463   8.3416  429.172   8.4208 0.2913208 11.85294 
1 1 1    6   12    3 o  157.765   4.7095  168.444   10.056  161.958   13.810  175.765   14.672  154.540   6.5944  160.990   6.7254 -6.449753 9.418936 
1 1 1    6   12    4 o  540.147   6.8615  1980.25   50.216  1964.80   70.280  1996.37   71.776  538.001   9.6398  542.293   9.7670 -4.291870 13.72294 
1 1 1    6   12    5 o  384.584   5.5648  1003.36   28.994  1001.44   40.517  1005.37   41.508  384.212   7.7819  384.955   7.9568 -0.7422485 11.12963 
1 1 1    6   12    6 o  578.985   7.2191  2274.43   56.613  2220.76   78.565  2332.39   81.650  571.895   10.138  586.075   10.281 -14.18011 14.43813 
1 1 1    6   12    7 o  665.594   8.0366  3009.75   72.485  3047.97  102.839  2972.01  102.182  669.799   11.330  661.390   11.401 8.409119 16.07315 
1 1 1    6   12    8 o  322.995   5.1296  706.146   22.425  677.332   30.792  738.688   32.723  315.997   7.1907  329.993   7.3176 -13.99561 10.25927 
1 1 1    6   12    9 o  354.028   5.3634  850.145   25.726  842.458   35.960  858.203   36.819  352.392   7.5303  355.664   7.6393 -3.271240 10.72682 
1 1 1    6   12   10 o  211.411   5.8001  311.214   15.756  276.885   26.101  330.898   19.764  201.942   9.5376  220.880   6.6029 -18.93803 11.60022 
1 1 1    6   12   11 o  242.898   5.8018  404.997   18.188  384.925   30.435  416.147   22.684  238.102   9.4324  247.694   6.7580 -9.592697 11.60351 
1 1 1    6   12   12 o  271.501   6.0352  509.302   20.687  526.171   25.282  475.121   35.988  278.518   6.6985  264.485   10.041 14.03317 12.07030 
1 1 1    6   12   13 o  292.915   6.1208  579.195   22.542  573.843   27.148  591.080   40.453  290.847   6.8879  294.982   10.120 -4.135193 12.24153 
1 1 1    6   12   14 o  557.266   9.8701  2109.42   74.536  2109.42   74.536   0.0000   0.0000  557.266   9.8701  ?   ?       ?      ? 
1 1 1    6   12   15 o  102.036   7.3256   70.644   10.129   70.644   10.129   0.0000   0.0000  102.036   7.3256  ?   ?       ?      ? 
1 1 1    6   12   16 o   90.185   7.6143   55.197   9.3056   55.197   9.3056   0.0000   0.0000   90.185   7.6143  ?   ?       ?      ? 
1 1 1    6   12   17 o  309.298   6.2376  650.135   24.321  650.988   29.433  648.299   43.184  309.745   7.0121  308.851   10.318 0.8935547 12.47516 
1 1 1    6   12   18 o  183.593   5.6168  225.657   12.963  220.558   15.560  237.225   23.436  180.311   6.3682  186.875   9.2543 -6.563660 11.23370 
1 1 1    6   12   19 o   74.721   8.2554   40.528   7.3691   43.696   8.9513   33.866   12.981   80.222   8.2340   69.221   14.311 11.00087 16.51076 
1 1 1    6   12   20 o  274.194   9.9499  511.035   36.971   0.0000   0.0000  511.035   36.971  ?   ?   274.194   9.9499      ?      ? 
1 1 1    6   12   21 o  536.124   8.4072  1939.81   56.942  1910.59   68.773  2003.53  101.544  530.202   9.5718  542.046   13.824 -11.84375 16.81433 
1 1 1    6   12   22 o  391.581   6.5251  1032.26   29.568  1023.38   33.847  1060.89   60.754  388.355   6.4314  394.808   11.355 -6.452972 13.05022 
1 1 1    6   12   23 o  244.982   5.4552  394.154   15.342  382.958   17.419  432.892   32.401  237.612   5.4095  252.352   9.4748 -14.74016 10.91030 
1 1 1    6   12   24 o  383.415   6.4604  991.482   28.679  984.416   32.849  1014.13   58.813  380.874   6.3643  385.956   11.245 -5.082062 12.92089 
1 1 1    6   12   25 o  298.186   5.8703  616.193   20.379  628.277   23.565  580.337   40.592  304.314   5.7142  292.059   10.256 12.25452 11.74056 
1 1 1    6   12   26 o  428.177   6.9297  1270.74   34.791  1295.39   40.368  1199.58   68.594  436.831   6.8194  419.524   12.066 17.30609 13.85937 
1 1 1    6   12   27 o  223.043   5.4652  339.483   14.129  340.947   16.238  334.920   28.671  224.184   5.3450  221.902   9.5345 2.282043 10.93048 
1 1 1    6   12   28 o  181.552   5.4322  225.847   11.387  227.642   13.075  220.209   23.168  183.183   5.2673  179.921   9.5022 3.262024 10.86445 
1 1 1    6   12   29 o  207.969   5.4255  293.442   13.047  293.077   14.956  294.607   26.685  207.843   5.3100  208.094   9.4630 -0.2514496 10.85101 
1 1 1    6   12   30 o  256.745   5.5860  451.874   16.678  455.663   19.217  440.310   33.571  259.142   5.4722  254.348   9.7400 4.793991 11.17198 
1 1 1    6   12   31 o  321.086   6.3392  706.138   25.839  715.375   31.565  687.375   44.988  324.519   7.1776  317.654   10.451 6.864502 12.67845 
1 1 1    6   12   32 o  107.619   6.4638   79.741   8.9942   82.069   11.248   75.614   14.977  109.896   7.5531  105.342   10.492 4.553322 12.92755 
1 1 1    6   12   33 o  143.107   6.7485  139.435   13.070  130.153   18.330  149.036   18.643  138.244   9.7843  147.969   9.2972 -9.725586 13.49703 
1 1 1    6   12   34 o  215.523   5.4799  307.610   15.118  340.391   26.682  292.112   18.347  223.657   8.8035  207.389   6.5281 16.26793 10.95980 
1 1 1    6   12   35 o  206.434   5.5374  292.573   14.690  280.743   24.865  298.916   18.207  203.077   9.0352  209.791   6.4043 -6.714066 11.07476 
1 1 1    6   12   36 o  232.783   5.6243  372.455   16.869  355.661   28.359  381.651   20.985  228.537   9.1569  237.030   6.5330 -8.493469 11.24856 
1 1 1    6   12   37 o   98.902   5.1971   66.807   6.9127   57.261   9.7585   76.423   9.7937   91.754   7.8484  106.050   6.8148 -14.29605 10.39414 
1 1 1    6   12   38 o  163.179   6.4279  180.898   14.214  180.898   14.214   0.0000   0.0000  163.179   6.4279  ?   ?       ?      ? 
1 1 1    6   12   39 o  277.011   5.8867  520.850   20.910  517.752   25.673  526.954   36.039  275.995   6.8642  278.026   9.5655 -2.031006 11.77348 
1 1 1    6   12   40 o  179.007   6.6800  217.788   16.204  217.788   16.204   0.0000   0.0000  179.007   6.6800  ?   ?       ?      ? 
1 1 1    6   12   41 o  195.238   5.6245  259.427   14.185  259.520   24.008  259.377   17.581  195.132   9.0791  195.345   6.6415 -0.2136383 11.24898 
1 1 1    6   12   42 o  172.158   4.7198  201.486   11.011  201.144   15.582  201.827   15.562  172.011   6.6848  172.305   6.6649 -0.2933655 9.439661 
1 1 1    6   12   43 o  473.425   6.3246  1527.95   40.574  1523.48   57.109  1532.51   57.656  472.736   8.9147  474.115   8.9738 -1.379120 12.64913 
1 1 1    6   12   44 o  127.421   7.1343  110.457   12.319  110.457   12.319   0.0000   0.0000  127.421   7.1343  ?   ?       ?      ? 
1 1 1    6   12   45 o  150.512   4.8166  153.996   9.8209  148.658   13.722  159.602   14.061  147.836   6.8497  153.188   6.7736 -5.351898 9.633294 
1 1 1    6   12   46 f  160.889   4.6828  176.020   10.208  171.123   14.350  181.035   14.523  158.619   6.6760  163.158   6.5684 -4.539429 9.365510 
1 1 1    6   12   47 o   66.187   7.3837   30.799   6.3362   37.635   8.9637   23.972   8.9576   74.268   8.9065   58.106   11.779 16.16183 14.76737 
1 1 1    6   12   48 o  135.214   4.8784  124.389   8.9372  127.786   12.747  121.105   12.534  137.032   6.8646  133.396   6.9334 3.636032 9.756765 
1 1 1    6   12   49 o  180.911   4.6929  222.631   11.498  211.667   16.106  234.023   16.418  176.358   6.7394  185.463   6.5325 -9.104477 9.385807 
1 1 1    6   12   50 o  123.503   5.1036  103.906   8.5401  106.294   12.099  101.536   12.056  124.924   7.1470  122.083   7.2874 2.840706 10.20712 
1 1 1    6   12   51 o  180.354   6.7435  222.395   16.474  214.140   22.941  231.184   23.672  176.895   9.5701  183.813   9.5032 -6.917419 13.48694 
1 1 1    6   12   52 o  160.603   6.9276  176.541   15.057  164.287   20.961  189.608   21.645  154.814   9.9910  166.391   9.5992 -11.57669 13.85515 
1 1 1    6   12   53 o  173.962   4.7860  206.152   11.280  211.850   16.126  200.692   15.785  176.318   6.7491  171.607   6.7879 4.711670 9.572078 
1 1 1    6   12   54 o  102.336   5.6142   72.032   7.7307   63.543   11.087   80.064   10.785   96.368   8.4902  108.305   7.3481 -11.93706 11.22848 
1 1 1    6   12   55 o  121.425   5.2206  100.707   8.5900  101.251   12.210  100.174   12.087  121.747   7.4006  121.102   7.3654 0.6448593 10.44120 
1 1 1    6   12   56 o  145.624   4.9085  144.832   9.6836  140.543   13.675  149.146   13.714  143.445   7.0350  147.802   6.8471 -4.356567 9.817006 
1 1 1    6   12   57 o   73.137   6.6499   36.827   6.5740   40.261   9.3832   33.516   9.2131   76.530   9.0478   69.745   9.7479 6.784576 13.29975 
1 1 1    6   12   58 o  129.667   7.0979  116.268   12.455  113.616   17.956  118.728   17.292  128.164   10.338  131.170   9.7282 -3.005402 14.19586 
1 1 1    6   12   59 o   58.696   9.5608   26.058   7.2981   19.935   12.681   29.091   8.9242   52.579   16.199   64.813   10.161 -12.23399 19.12150 
1 1 1    6   12   60 o  150.743   4.8664  155.847   9.9162  142.591   13.965  169.328   14.083  144.206   7.1460  157.281   6.6076 -13.07440 9.732773 
1 1 1    6   12   61 o   76.580   6.3749   40.909   6.5564   36.055   9.4957   45.332   9.0637   72.074   9.7223   81.087   8.2485 -9.013161 12.74988 
1 1 1    6   12   62 o  162.779   4.7776  181.896   10.537  178.551   14.950  185.197   14.852  161.265   6.8411  164.292   6.6710 -3.026764 9.555287 
1 1 1    6   12   63 o  127.738   5.0649  112.394   8.7622  109.201   12.478  115.499   12.307  125.905   7.3136  129.571   7.0089 -3.666374 10.12983 
1 1 1    6   12   64 o   95.577   5.7023   63.431   7.3663   59.736   10.578   66.910   10.264   92.775   8.4136   98.378   7.6991 -5.602646 11.40464 
1 1 1    6   12   65 o  113.288   5.3442   89.129   8.1401   75.952   11.433  102.673   11.592  104.602   8.0660  121.975   7.0129 -17.37271 10.68831 
1 1 1    6   12   66 o  116.052   5.4271   93.824   8.4098   74.541   11.699  114.441   12.097  103.412   8.3484  128.691   6.9368 -25.27913 10.85421 
1 1 1    6   12   67 f  167.473   6.1107  201.276   12.892  182.222   22.216  210.949   15.830  160.253   10.230  174.693   6.6867 -14.44035 12.22143 
1 1 1    6   12   68 o  109.562   6.6540   86.705   9.2472   79.166   15.748   90.673   11.424  104.967   11.071  114.157   7.3848 -9.189514 13.30794 
1 1 1    6   12   69 o   89.871   7.2292   57.165   8.4698   60.139   14.161   55.509   10.569   91.050   11.477   88.691   8.7934 2.359024 14.45834 
1 1 1    6   12   70 o   67.561   10.131   35.660   9.2207   47.001   13.091   24.493   12.990   79.981   12.078   55.140   16.269 24.84108 20.26230 
1 1 1    6   12   71 o   71.718   9.0845   41.461   7.9439   31.046   13.308   47.227   9.9014   61.950   15.802   81.485   8.9668 -19.53471 18.16894 
1 1 1    6   12   72 o   80.691   9.4305   50.360   9.8692   59.492   13.759   40.682   14.164   90.020   11.279   71.362   15.117 18.65819 18.86092 
1 1 1    6   12   73 o   35.939   10.279   6.2953   7.9184   9.8404   10.774   2.1310   11.677   38.701   14.771   33.177   14.299 5.523708 20.55848 
1 1 1    6   12   74 o   26.841   8.8497  -7.9701   7.7227 -11.2487   10.033  -3.2032   12.098   23.432   11.202   30.250   13.703 -6.817450 17.69936 
1 1 1    6   12   75 f   29.941   13.710  -4.5675   12.530   0.0000   0.0000  -4.5675   12.530  ?   ?    29.941   13.710      ?      ? 
1 1 1    6   12   76 o   72.196   15.793   43.372   15.021   0.0000   0.0000   43.372   15.021  ?   ?    72.196   15.793      ?      ? 
1 1 1    6   12   77 o   90.601   8.7716   61.652   10.663   52.673   14.025   73.956   16.417   82.861   12.490   98.341   12.319 -15.47964 17.54316 
1 1 1    6   12   78 o   34.275   10.241   4.4749   8.1172   1.9585   10.710   7.8721   12.443   31.325   13.597   37.225   15.318 -5.899498 20.48223 
1 1 1    6   12   79 o  107.929   8.3115   87.164   11.882   65.793   15.636  116.380   18.282   91.736   12.577  124.122   10.869 -32.38539 16.62291 
1 1 1    6   12   80 o   53.601   11.495   25.456   9.3489   17.980   12.733   34.200   13.771   45.380   16.284   61.823   16.231 -16.44304 22.99100 
1 1 1    6   12   81 o   34.939   10.084   3.1428   8.4872  -9.3066   11.651   17.217   12.388   25.727   12.236   44.150   16.032 -18.42302 20.16744 
1 1 1    6   12   82 o   47.591   11.151   20.070   9.3501   7.9277   13.160   32.448   13.287   36.198   15.380   58.984   16.150 -22.78547 22.30161 
1 1 1    6   12   83 o   59.806   11.510   34.649   10.164   22.460   14.153   47.630   14.605   47.244   17.139   72.369   15.367 -25.12496 23.01946 
1 1 1    6   12   84 o   38.990   11.205   13.152   9.3469   9.4846   12.981   17.101   13.469   36.059   15.296   41.920   16.377 -5.860535 22.40934 
1 1 1    6   12   85 o   30.715   13.933   2.1027   12.556   2.1027   12.556   0.0000   0.0000   30.715   13.933  ?   ?       ?      ? 
1 1 1    6   13    0 o  159.942   5.6953  176.118   11.529  180.818   14.094  166.614   20.041  163.267   6.3701  156.617   9.4428 6.649643 11.39061 
1 1 1    6   13    1 o  383.486   6.9638  1004.54   33.693  1014.11   40.889  984.284   59.465  386.541   7.8061  380.430   11.535 6.111603 13.92770 
1 1 1    6   13    2 o  247.203   6.0883  423.218   18.721  436.701   22.594  393.689   33.436  253.717   6.5715  240.688   10.251 13.02927 12.17667 
1 1 1    6   13    3 o  171.445   5.9295  195.546   12.467  190.357   14.676  208.992   23.627  167.513   6.4653  175.378   9.9415 -7.864594 11.85895 
1 1 1    6   13    4 o  533.776   8.4619  1931.18   57.079  1918.30   69.094  1958.86  101.292  531.377   9.5952  536.174   13.941 -4.797485 16.92372 
1 1 1    6   13    5 o  300.103   6.1843  616.304   23.559  625.316   28.787  598.026   40.996  303.572   6.9978  296.634   10.199 6.937378 12.36854 
1 1 1    6   13    6 o  416.202   7.1274  1174.39   37.699  1169.02   45.889  1185.56   66.117  414.957   8.1607  417.447   11.688 -2.490631 14.25480 
1 1 1    6   13    7 o  518.971   8.2113  1846.18   54.532  1875.36   67.184  1789.83   93.358  525.387   9.4364  512.556   13.441 12.83099 16.42265 
1 1 1    6   13    8 o  335.117   6.4157  766.758   27.369  774.373   33.491  751.446   47.489  337.784   7.3165  332.450   10.541 5.333740 12.83131 
1 1 1    6   13    9 o  554.263   7.0330  2088.21   52.819  2101.40   74.295  2074.72   75.107  556.048   9.8598  552.477   10.032 3.570740 14.06609 
1 1 1    6   13   10 o  127.598   5.0327  110.624   8.6511  111.713   11.652  109.288   12.913  128.310   6.7015  126.886   7.5101 1.423515 10.06540 
1 1 1    6   13   11 o  193.859   4.6481  254.400   12.188  245.834   16.631  264.336   17.912  190.347   6.4475  197.370   6.6969 -7.022690 9.296177 
1 1 1    6   13   12 o  129.502   5.9466  113.993   8.4676  114.056   9.5160  113.753   18.557  129.678   5.4150  129.325   10.589 0.3529510 11.89316 
1 1 1    6   13   13 o  197.629   5.4468  261.217   12.161  258.072   13.766  272.399   25.957  195.070   5.2074  200.188   9.5683 -5.118240 10.89359 
1 1 1    6   13   14 o  151.787   5.6943  159.857   9.6237  162.522   10.911  150.517   20.426  154.800   5.2011  148.773   10.131 6.026855 11.38852 
1 1 1    6   13   15 o  228.841   5.5836  358.241   14.494  360.431   16.507  350.874   30.284  230.522   5.2842  227.160   9.8380 3.361969 11.16729 
1 1 1    6   13   16 o  175.155   5.6879  216.059   11.113  222.329   12.650  194.860   23.259  181.053   5.1557  169.258   10.140 11.79500 11.37586 
1 1 1    6   13   17 o  263.997   5.7497  479.279   17.379  484.500   19.897  462.475   35.695  267.250   5.4940  260.744   10.102 6.506287 11.49937 
1 1 1    6   13   18 o  557.715   8.2696  2153.12   54.093  2188.58   62.732  2050.31  106.820  567.586   8.1559  547.843   14.388 19.74347 16.53925 
1 1 1    6   13   19 o  173.477   5.7036  210.247   11.104  215.050   12.648  194.106   23.189  178.053   5.2420  168.902   10.131 9.151123 11.40720 
1 1 1    6   13   20 o  102.340   6.7355   77.693   7.5630   83.157   8.6647   60.210   15.498  110.705   5.7757   93.974   12.170 16.73100 13.47107 
1 1 1    6   13   21 o  267.697   5.7112  492.666   17.638  498.007   20.261  475.953   35.842  270.929   5.5185  264.465   10.001 6.464050 11.42250 
1 1 1    6   13   22 o  231.387   5.5304  363.875   14.704  363.979   16.815  363.538   30.312  231.624   5.3570  231.149   9.6769 0.4747772 11.06072 
1 1 1    6   13   23 o  246.378   5.5914  413.327   15.855  414.089   18.151  410.875   32.567  247.045   5.4217  245.711   9.7806 1.334305 11.18280 
1 1 1    6   13   24 o  149.166   5.4662  141.212   9.3477  133.285   10.547  170.248   20.186  140.151   5.5531  158.180   9.4170 -18.02890 10.93240 
1 1 1    6   13   25 o  284.811   5.7438  539.248   18.771  528.914   21.353  574.395   39.380  279.176   5.6442  290.446   10.005 -11.27054 11.48751 
1 1 1    6   13   26 o  120.758   6.3094   96.507   9.6855   91.779   11.678  106.928   17.337  116.223   7.4146  125.293   10.211 -9.069794 12.61887 
1 1 1    6   13   27 f  234.532   6.7951  374.507   21.596  376.184   30.472  372.814   30.610  235.064   9.5661  233.999   9.6531 1.065491 13.59017 
1 1 1    6   13   28 o  208.776   6.7441  296.619   19.074  286.519   26.644  307.236   27.318  205.128   9.5850  212.424   9.4899 -7.296600 13.48819 
1 1 1    6   13   29 o  242.046   5.9198  401.074   18.194  405.976   22.225  391.115   31.679  244.472   6.7085  239.620   9.7557 4.851181 11.83966 
1 1 1    6   13   30 o  197.441   5.8294  265.802   14.558  266.943   17.684  263.405   25.642  198.239   6.5826  196.643   9.6227 1.596924 11.65875 
1 1 1    6   13   31 o  198.440   5.8419  268.330   14.647  269.091   17.770  266.717   25.871  199.027   6.5885  197.854   9.6489 1.172287 11.68372 
1 1 1    6   13   32 o  214.812   5.5669  317.148   13.825  320.245   15.893  307.514   28.028  217.207   5.3993  212.417   9.7369 4.790207 11.13374 
1 1 1    6   13   33 o  275.168   5.7447  511.994   18.299  509.059   20.966  521.377   37.486  273.821   5.6503  276.515   10.004 -2.694122 11.48934 
1 1 1    6   13   34 o   97.158   6.4002   60.625   7.3866   57.012   8.4738   72.054   15.073   91.589   6.8274  102.726   10.828 -11.13773 12.80033 
1 1 1    6   13   35 o  292.467   7.2500  581.642   28.734  581.642   28.734   0.0000   0.0000  292.467   7.2500  ?   ?       ?      ? 
1 1 1    6   13   36 o   91.512   10.830   57.210   13.430   57.210   13.430   0.0000   0.0000   91.512   10.830  ?   ?       ?      ? 
1 1 1    6   13   37 o  175.960   5.8853  211.099   13.073  211.550   15.846  210.137   23.134  176.416   6.6283  175.504   9.7268 0.9119873 11.77056 
1 1 1    6   13   38 o  279.064   4.9103  529.579   18.568  536.438   26.289  522.752   26.230  280.872   6.9069  277.255   6.9812 3.616608 9.820530 
1 1 1    6   13   39 o  143.419   4.8067  139.824   9.3397  144.070   13.329  135.727   13.091  145.561   6.7572  141.278   6.8379 4.283096 9.613311 
1 1 1    6   13   40 o  196.273   4.7070  261.944   12.519  265.197   17.731  258.710   17.678  197.492   6.6253  195.055   6.6879 2.436859 9.413900 
1 1 1    6   13   41 o  264.352   4.9082  474.861   17.568  503.224   25.266  448.311   24.444  271.999   6.8545  256.705   7.0267 15.29425 9.816306 
1 1 1    6   13   42 o  283.946   4.9683  548.568   19.115  558.464   27.107  538.780   26.960  286.500   6.9820  281.391   7.0701 5.109070 9.936511 
1 1 1    6   13   43 o   85.407   6.0472   49.689   6.9842   54.314   10.049   45.367   9.7138   89.262   8.3075   81.551   8.7898 7.711403 12.09447 
1 1 1    6   13   44 o  157.766   4.7228  169.365   10.095  165.648   14.302  173.057   14.251  156.032   6.7640  159.500   6.5931 -3.467743 9.445684 
1 1 1    6   13   45 o  155.478   4.7876  164.518   10.084  169.569   14.296  159.517   14.226  157.861   6.6830  153.094   6.8572 4.767868 9.575143 
1 1 1    6   13   46 o  151.611   4.8314  156.451   9.9087  169.164   14.165  144.269   13.866  157.661   6.6298  145.559   7.0296 12.10213 9.662756 
1 1 1    6   13   47 o  105.295   5.7716   77.357   7.9515   54.416   11.243  100.319   11.248   89.210   9.2997  121.379   6.8381 -32.16935 11.54316 
1 1 1    6   13   48 o  164.820   6.0649  190.513   12.575  171.786   21.788  199.868   15.399  158.314   10.156  171.327   6.6326 -13.01324 12.12989 
1 1 1    6   13   49 o   73.575   9.3821   41.747   8.3238   48.622   10.276   28.631   14.194   84.303   8.9953   62.847   16.468 21.45641 18.76428 
1 1 1    6   13   50 o  142.635   6.0829  133.310   11.038  123.211   13.257  156.136   19.931  134.391   7.2791  150.879   9.7478 -16.48860 12.16573 
1 1 1    6   13   51 o  162.788   4.8730  180.660   10.747  186.430   15.378  175.152   15.025  165.332   6.8635  160.245   6.9192 5.087723 9.745959 
1 1 1    6   13   52 o  270.896   7.0172  500.942   25.760   0.0000   0.0000  500.942   25.760  ?   ?   270.896   7.0172      ?      ? 
1 1 1    6   13   53 o   93.687   5.9524   60.620   7.4728   50.460   10.588   70.705   10.548   85.712   9.1157  101.662   7.6568 -15.95018 11.90476 
1 1 1    6   13   54 o  162.826   5.8495  183.928   12.298  189.085   15.358  174.712   20.531  166.361   6.8122  159.290   9.5110 7.070526 11.69897 
1 1 1    6   13   55 o  211.753   5.7613  304.450   15.731  297.204   19.357  318.543   26.995  208.481   6.8516  215.026   9.2641 -6.545731 11.52251 
1 1 1    6   13   56 f  137.631   6.1667  132.239   10.759  125.125   18.609  135.811   13.187  134.402   10.217  140.861   6.9082 -6.458298 12.33347 
1 1 1    6   13   57 o   82.677   7.3831   47.983   7.8476   45.857   13.222   49.140   9.7506   80.905   12.060   84.448   8.5204 -3.542763 14.76618 
1 1 1    6   13   58 o   83.900   6.1936   48.956   6.9834   42.400   9.9716   55.267   9.7833   78.226   9.4065   89.574   8.0597 -11.34785 12.38711 
1 1 1    6   13   59 o  118.781   5.1259   96.771   8.2380  104.613   11.954   89.677   11.369  123.377   7.1498  114.185   7.3473 9.191452 10.25188 
1 1 1    6   13   60 o   77.006   6.4145   41.358   6.6648   38.323   9.6217   44.158   9.2409   74.171   9.5727   79.840   8.5410 -5.669289 12.82907 
1 1 1    6   13   61 f   74.535   6.4482   38.837   6.4861   36.348   9.3945   41.104   8.9658   72.133   9.6108   76.938   8.5994 -4.804939 12.89635 
1 1 1    6   13   62 o   50.604   8.5282   18.777   5.8003   23.105   8.5168   15.034   7.9211   56.107   11.585   45.101   12.518 11.00549 17.05635 
1 1 1    6   13   63 o   61.627   9.2722   29.532   7.1484   23.579   12.650   32.325   8.6645   55.381   15.974   67.873   9.4202 -12.49258 18.54443 
1 1 1    6   13   64 f   90.967   7.4509   61.214   8.4761   51.559   14.427   66.303   10.475   84.342   12.623   97.591   7.9203 -13.24890 14.90175 
1 1 1    6   13   65 o   46.351   10.003   15.039   6.6455   21.243   11.319   11.775   8.2094   52.398   15.109   40.303   13.113 12.09489 20.00552 
1 1 1    6   13   66 f   35.472   9.5133   5.0343   6.3052   14.039   10.742   0.3011   7.7879   43.814   15.015   27.130   11.685 16.68399 19.02656 
1 1 1    6   13   67 o   50.900   10.090   19.585   6.9328   22.158   12.074   18.320   8.4679   52.856   15.707   48.944   12.669 3.911720 20.17965 
1 1 1    6   13   68 o   87.673   8.0197   59.697   8.4560   46.574   14.113   67.047   10.562   77.716   13.912   97.629   7.9830 -19.91238 16.03944 
1 1 1    6   13   69 o   80.066   12.491   47.750   13.553   47.750   13.553   0.0000   0.0000   80.066   12.491  ?   ?       ?      ? 
1 1 1    6   13   70 o   70.450   10.075   38.581   9.4661   24.968   12.841   54.781   14.009   55.072   16.155   85.828   12.044 -30.75605 20.15065 
1 1 1    6   13   71 o   70.898   10.450   40.250   9.7136   39.056   13.631   41.482   13.846   69.727   14.879   72.069   14.676 -2.341995 20.89901 
1 1 1    6   13   72 o   54.840   11.212   24.907   9.1794   16.600   12.936   33.333   13.028   45.885   16.418   63.795   15.273 -17.90963 22.42358 
1 1 1    6   13   73 o   51.159   11.415   21.620   8.7555   19.716   11.462   24.287   13.566   48.938   15.452   53.380   16.806 -4.441990 22.82996 
1 1 1    6   13   74 o   45.264   16.463   16.379   13.071   0.0000   0.0000   16.379   13.071  ?   ?    45.264   16.463      ?      ? 
1 1 1    6   13   75 o   67.741   15.943   38.947   14.391   0.0000   0.0000   38.947   14.391  ?   ?    67.741   15.943      ?      ? 
1 1 1    6   13   76 o   52.880   11.454   24.122   8.9052   22.048   11.732   26.942   13.678   50.684   15.575   55.076   16.798 -4.391735 22.90802 
1 1 1    6   13   77 o   73.889   9.9905   43.941   9.7466   36.011   12.948   54.311   14.806   65.114   14.985   82.664   13.217 -17.55038 19.98094 
1 1 1    6   13   78 o   48.868   11.472   20.726   8.9854   14.973   11.947   28.218   13.634   42.361   15.685   55.375   16.745 -13.01484 22.94331 
1 1 1    6   13   79 o   44.234   11.584   17.255   9.1866   15.089   12.368   19.922   13.721   42.045   15.879   46.424   16.870 -4.379051 23.16737 
1 1 1    6   13   80 o   77.257   10.683   52.293   10.901   38.733   14.889   67.963   16.005   63.611   16.961   90.902   12.993 -27.29087 21.36575 
1 1 1    6   13   81 o   56.718   11.610   30.999   9.8043   21.522   13.318   42.210   14.486   46.620   16.662   66.816   16.173 -20.19575 23.22002 
1 1 1    6   13   82 o   54.227   12.100   30.845   10.041   34.247   14.026   27.269   14.381   57.955   16.850   50.498   17.370 7.456974 24.19996 
1 1 1    6   13   83 o   50.056   12.063   27.411   9.9102   23.094   13.822   31.977   14.216   45.960   16.897   54.152   17.221 -8.191845 24.12576 
1 1 1    6   14    0 o  272.960   4.9281  505.946   18.214  510.128   25.311  501.454   26.230  274.141   6.8132  271.778   7.1220 2.363312 9.856102 
1 1 1    6   14    1 o  186.522   4.7203  235.846   11.905  231.907   16.252  240.406   17.489  184.853   6.4879  188.192   6.8579 -3.338745 9.440547 
1 1 1    6   14    2 o  174.541   4.7635  206.792   11.229  206.888   15.265  206.678   16.575  174.598   6.4518  174.483   7.0099 0.1143951 9.527066 
1 1 1    6   14    3 o  141.849   5.7666  137.897   10.811  130.970   17.077  142.530   13.966  138.805   9.0787  144.892   7.1127 -6.086807 11.53313 
1 1 1    6   14    4 o  214.749   6.4764  313.192   18.805  308.900   25.666  318.167   27.630  213.184   8.8842  216.315   9.4257 -3.131561 12.95274 
1 1 1    6   14    5 o  265.602   5.9877  483.169   20.152  490.334   24.585  468.500   35.178  268.766   6.7502  262.439   9.8915 6.326111 11.97532 
1 1 1    6   14    6 o  186.159   4.7636  235.866   11.976  244.444   16.461  226.218   17.457  189.781   6.4005  182.536   7.0571 7.244675 9.527282 
1 1 1    6   14    7 o  222.826   4.7340  337.303   14.269  341.741   19.669  332.371   20.731  224.388   6.4683  221.264   6.9141 3.124573 9.468014 
1 1 1    6   14    8 o  124.468   5.1066  104.929   8.5797  102.321   11.569  108.115   12.789  122.764   6.9543  126.172   7.4800 -3.408020 10.21330 
1 1 1    6   14    9 o  300.187   5.0692  611.938   20.603  612.927   28.566  610.866   29.745  300.453   7.0160  299.921   7.3186 0.5328979 10.13831 
1 1 1    6   14   10 o  137.235   4.9728  128.295   9.1835  131.740   12.377  124.075   13.698  139.310   6.5563  135.159   7.4785 4.151184 9.945521 
1 1 1    6   14   11 o  213.411   4.7383  308.472   13.672  299.117   18.609  319.443   20.153  209.913   6.5420  216.908   6.8563 -6.995117 9.476599 
1 1 1    6   14   12 o  205.711   5.6847  292.508   13.164  296.596   14.978  278.628   27.599  209.092   5.2860  202.331   10.066 6.761307 11.36939 
1 1 1    6   14   13 o  214.781   5.6908  320.496   13.712  326.229   15.596  300.973   28.778  219.288   5.2482  210.275   10.099 9.012680 11.38167 
1 1 1    6   14   14 o  106.647   6.1364   70.718   7.3652   66.030   8.2313   89.547   16.495   98.631   6.1585  114.662   10.616 -16.03152 12.27283 
1 1 1    6   14   15 o  285.281   5.9109  563.852   19.383  573.663   22.268  533.182   39.372  290.754   5.6516  279.809   10.383 10.94528 11.82180 
1 1 1    6   14   16 o  182.075   5.7029  230.846   11.637  235.357   13.237  215.495   24.417  186.251   5.2447  177.898   10.128 8.353043 11.40584 
1 1 1    6   14   17 o  226.059   5.6156  346.239   14.414  345.333   16.388  349.335   30.295  225.598   5.3604  226.520   9.8694 -0.9214630 11.23115 
1 1 1    6   14   18 o  137.295   5.9022  128.397   9.1001  128.578   10.311  127.761   19.356  137.649   5.5275  136.941   10.430 0.7072296 11.80438 
1 1 1    6   14   19 o  280.758   5.8626  539.333   18.914  542.348   21.660  529.651   38.813  282.686   5.6542  278.830   10.272 3.856689 11.72530 
1 1 1    6   14   20 o  315.070   6.5230  697.000   26.058  742.582   32.281  611.752   44.146  330.598   7.2056  299.541   10.876 31.05676 13.04605 
1 1 1    6   14   21 o  106.836   6.6885   76.019   8.9716   73.359   10.730   82.199   16.355  103.888   7.6217  109.783   10.993 -5.895172 13.37703 
1 1 1    6   14   22 f  129.959   6.1836  112.852   10.024  109.758   11.945  120.217   18.430  127.105   6.9348  132.814   10.240 -5.709198 12.36723 
1 1 1    6   14   23 o  140.588   5.9253  141.673   9.3873  148.134   10.781  121.415   19.089  147.738   5.3850  133.439   10.556 14.29924 11.85051 
1 1 1    6   14   24 o  111.911   6.4352   89.529   8.0029   93.045   9.1253   77.815   16.656  117.071   5.7519  106.751   11.514 10.31984 12.87048 
1 1 1    6   14   25 o  138.050   5.8095  131.726   9.1122  133.516   10.406  125.842   18.866  140.249   5.4755  135.852   10.248 4.396423 11.61893 
1 1 1    6   14   26 f  147.075   5.5885  142.067   9.4334  137.836   10.707  156.748   19.945  142.492   5.5448  151.657   9.7047 -9.164352 11.17702 
1 1 1    6   14   27 o  102.932   6.7769   77.166   7.7576   81.461   8.8919   63.482   15.873  109.522   5.9911   96.342   12.158 13.18036 13.55385 
1 1 1    6   14   28 o   94.756   6.9398   62.130   7.3776   62.868   8.3800   59.588   15.556   96.195   6.4285   93.318   12.301 2.876877 13.87955 
1 1 1    6   14   29 o  137.615   5.8822  130.504   9.2871  131.944   10.644  125.910   19.010  139.398   5.6346  135.832   10.327 3.565430 11.76442 
1 1 1    6   14   30 o  194.482   5.4754  256.809   14.430  256.809   14.430   0.0000   0.0000  194.482   5.4754  ?   ?       ?      ? 
1 1 1    6   14   31 f  279.337   9.7509  532.273   36.911  532.273   36.911   0.0000   0.0000  279.337   9.7509  ?   ?       ?      ? 
1 1 1    6   14   32 o  311.579   6.2049  679.566   22.611  698.505   26.267  625.379   44.429  320.648   6.0450  302.509   10.838 18.13940 12.40979 
1 1 1    6   14   33 o  253.886   5.7988  437.977   16.984  437.095   19.448  440.814   34.860  253.682   5.6572  254.089   10.124 -0.4070282 11.59753 
1 1 1    6   14   34 o  168.045   5.7000  187.359   11.073  183.007   12.627  201.844   23.036  164.141   5.6769  171.949   9.8859 -7.807999 11.39994 
1 1 1    6   14   35 o   71.519   8.5370   33.755   7.0352   31.866   8.0762   39.698   14.325   68.373   8.7164   74.664   14.681 -6.291512 17.07400 
1 1 1    6   14   36 o  123.728   6.4297  108.601   9.2901  113.085   10.826   96.078   18.092  128.988   6.1938  118.468   11.269 10.52016 12.85935 
1 1 1    6   14   37 o  263.093   5.7724  460.385   17.580  450.376   20.068  493.405   36.452  257.460   5.7520  268.725   10.010 -11.26523 11.54485 
1 1 1    6   14   38 o   96.422   6.7338   56.640   7.7049   50.304   8.7619   78.247   16.181   85.955   7.5223  106.889   11.171 -20.93456 13.46770 
1 1 1    6   14   39 o  274.149   5.7826  498.663   18.348  486.594   20.932  538.693   38.122  267.586   5.7726  280.711   10.021 -13.12558 11.56510 
1 1 1    6   14   40 o  137.203   6.0172  127.202   9.6273  126.057   11.062  130.778   19.548  136.172   5.9945  138.235   10.435 -2.063370 12.03447 
1 1 1    6   14   41 o  219.238   5.7059  332.800   14.576  337.877   16.845  317.671   29.079  222.974   5.5750  215.501   9.9573 7.472748 11.41181 
1 1 1    6   14   42 o  115.510   6.5355   87.409   9.5778   81.082   11.480  101.903   17.375  109.061   7.7674  121.958   10.513 -12.89732 13.07102 
1 1 1    6   14   43 o  133.015   5.0769  119.795   9.1223  132.857   13.499  108.817   12.376  139.652   7.1330  126.378   7.2263 13.27364 10.15382 
1 1 1    6   14   44 o   77.287   9.2354   47.014   8.0269   31.943   14.972   53.093   9.5089   66.367   16.670   88.207   7.9551 -21.84026 18.47076 
1 1 1    6   14   45 o   43.619   9.3855   12.894   6.0603   16.292   9.1535   10.242   8.0864   47.866   13.518   39.372   13.024 8.494335 18.77109 
1 1 1    6   14   46 o   91.499   7.5323   57.856   8.7920   58.488   10.791   56.608   15.164   92.473   8.6113   90.526   12.361 1.946823 15.06463 
1 1 1    6   14   47 o  193.313   6.1610  266.240   14.986  287.772   18.540  225.657   25.453  205.462   6.6588  181.164   10.368 24.29832 12.32190 
1 1 1    6   14   48 o  189.089   4.7753  243.899   12.236  243.421   17.349  244.372   17.259  188.900   6.7775  189.278   6.7288 -0.3778381 9.550510 
1 1 1    6   14   49 o   95.663   5.7467   62.848   7.4216   60.004   10.822   65.373   10.197   93.562   8.5352   97.763   7.6972 -4.201347 11.49333 
1 1 1    6   14   50 o   95.711   7.2558   67.050   8.7659   77.662   11.182   50.127   14.120  106.509   7.7470   84.914   12.271 21.59531 14.51165 
1 1 1    6   14   51 o  126.361   6.0517  108.671   10.004  105.919   12.533  113.504   16.609  124.386   7.4351  128.336   9.5505 -3.949783 12.10342 
1 1 1    6   14   52 o  143.674   5.0287  141.260   9.7891  143.889   14.000  138.746   13.693  144.978   7.1259  142.370   7.0972 2.608414 10.05733 
1 1 1    6   14   53 o   82.883   6.2724   47.416   7.0162   46.651   10.352   48.067   9.5421   82.194   9.2941   83.573   8.4256 -1.378036 12.54474 
1 1 1    6   14   54 o   38.142   9.7463   7.3611   6.2040   13.868   10.982   4.3112   7.5187   45.075   15.183   31.209   12.224 13.86554 19.49268 
1 1 1    6   14   55 o   44.587   9.1978   15.229   6.5017   3.3563   11.332   21.055   7.9380   35.245   14.572   53.929   11.227 -18.68465 18.39562 
1 1 1    6   14   56 o   58.313   7.9940   24.520   6.1598   20.648   8.8340   28.184   8.5934   53.028   12.498   63.597   9.9711 -10.56903 15.98805 
1 1 1    6   14   57 o   57.846   7.8627   23.676   6.0209   28.517   8.9837   19.728   8.1125   63.810   10.389   51.881   11.805 11.92827 15.72535 
1 1 1    6   14   58 o   79.075   6.3382   44.020   6.6988   36.713   9.6301   50.870   9.3245   72.435   9.8107   85.714   8.0276 -13.27982 12.67649 
1 1 1    6   14   59 o   76.426   6.4559   40.697   6.6711   44.706   9.6717   37.059   9.2137   80.060   8.9146   72.791   9.3406 7.269791 12.91190 
1 1 1    6   14   60 o   89.860   8.2042   62.184   8.6124   48.138   15.104   68.951   10.484   80.042   14.457   99.678   7.7614 -19.63596 16.40834 
1 1 1    6   14   61 o   82.747   8.3042   52.436   8.1047   42.590   14.223   57.171   9.8627   74.907   14.536   90.588   8.0342 -15.68137 16.60830 
1 1 1    6   14   62 o  121.394   6.3337  100.900   9.7982  111.865   17.408   95.816   11.854  125.408   10.243  117.380   7.4524 8.027260 12.66750 
1 1 1    6   14   63 o   47.066   10.115   15.580   6.6412   21.629   11.923   12.858   7.9968   52.550   15.607   41.581   12.872 10.96960 20.23031 
1 1 1    6   14   64 o   73.880   8.4137   40.606   7.6200   39.506   13.295   41.144   9.2988   71.526   14.218   76.234   9.0011 -4.708427 16.82731 
1 1 1    6   14   65 o   95.263   7.0965   64.638   8.6884   66.816   14.906   63.517   10.692   95.628   11.503   94.898   8.3145 0.7300034 14.19310 
1 1 1    6   14   66 o  120.321   7.5908  104.345   12.283   88.155   16.658  123.632   18.182  109.820   11.194  130.823   10.256 -21.00245 15.18170 
1 1 1    6   14   67 o   81.055   12.096   48.837   13.286   48.837   13.286   0.0000   0.0000   81.055   12.096  ?   ?       ?      ? 
1 1 1    6   14   68 o   70.784   14.005   39.464   12.958   39.464   12.958   0.0000   0.0000   70.784   14.005  ?   ?       ?      ? 
1 1 1    6   14   69 o   62.061   10.748   31.433   9.1875   22.207   12.715   41.514   13.291   51.708   16.268   72.415   14.051 -20.70681 21.49587 
1 1 1    6   14   70 o   72.447   10.259   41.336   9.8661   30.273   13.305   54.851   14.705   60.061   16.043   84.832   12.792 -24.77193 20.51873 
1 1 1    6   14   71 o   83.175   9.7857   53.110   10.329   32.961   13.614   80.443   15.856   62.525   16.001  103.825   11.270 -41.29943 19.57142 
1 1 1    6   14   72 o   73.770   9.8245   43.401   9.5371   44.339   12.806   42.233   14.291   76.111   12.416   71.429   15.229 4.682396 19.64893 
1 1 1    6   14   73 o   60.140   16.424   31.527   13.762   0.0000   0.0000   31.527   13.762  ?   ?    60.140   16.424      ?      ? 
1 1 1    6   14   74 o   56.036   16.558   27.933   13.447   0.0000   0.0000   27.933   13.447  ?   ?    56.036   16.558      ?      ? 
1 1 1    6   14   75 o   72.843   10.384   43.445   10.044   31.545   13.322   59.123   15.290   59.552   16.115   86.133   13.100 -26.58051 20.76802 
1 1 1    6   14   76 o   32.710   10.058   3.1378   8.2671   0.8728   11.017   6.0569   12.507   30.330   13.455   35.090   14.953 -4.759583 20.11575 
1 1 1    6   14   77 o   31.572   9.8285   2.1559   8.2515   5.3098   11.425  -1.2834   11.930   33.413   14.267   29.731   13.523 3.682791 19.65701 
1 1 1    6   14   78 o   43.387   11.298   16.553   9.0191   10.005   12.291   24.193   13.276   37.016   15.227   49.758   16.695 -12.74163 22.59583 
1 1 1    6   14   79 o   38.378   10.415   10.023   8.7111   22.631   12.219  -3.0060   12.422   48.065   16.016   28.691   13.320 19.37323 20.83077 
1 1 1    6   14   80 o   32.296   10.048   3.2967   8.9584   11.158   12.335  -5.4776   13.032   36.788   15.206   27.805   13.140 8.983089 20.09693 
1 1 1    6   15    0 o  188.440   4.7647  241.075   12.142  240.001   16.630  242.302   17.770  188.004   6.5274  188.877   6.9428 -0.8729095 9.529381 
1 1 1    6   15    1 o   84.867   6.2564   48.754   7.1579   46.797   9.5696   51.240   10.784   82.955   8.5127   86.779   9.1707 -3.823616 12.51275 
1 1 1    6   15    2 o  302.901   5.1454  623.675   21.105  634.897   29.468  611.856   30.242  305.718   7.1129  300.084   7.4368 5.634155 10.29074 
1 1 1    6   15    3 f  220.025   4.8167  328.352   14.338  321.650   19.633  336.011   20.988  217.634   6.6568  222.416   6.9635 -4.781693 9.633483 
1 1 1    6   15    4 o  134.301   5.0339  121.663   9.1226  113.484   12.230  131.919   13.696  129.255   6.9824  139.346   7.2531 -10.09023 10.06788 
1 1 1    6   15    5 o   92.222   5.8729   57.022   7.2877   50.477   9.6555   65.688   11.109   86.160   8.2697   98.285   8.3411 -12.12550 11.74574 
1 1 1    6   15    6 o  211.100   4.7954  303.010   13.687  308.238   18.826  297.148   19.933  213.052   6.5207  209.147   7.0330 3.905746 9.590732 
1 1 1    6   15    7 o  106.509   5.5192   77.104   7.9223   77.040   10.658   77.183   11.843  106.477   7.3863  106.541   8.2031 -0.6351471E-01 11.03847 
1 1 1    6   15    8 o  124.522   5.2118  105.504   8.7612  107.059   11.933  103.684   12.904  125.536   7.0145  123.508   7.7102 2.028084 10.42353 
1 1 1    6   15    9 o  119.565   6.2376   96.568   9.9817  101.609   15.542   93.029   13.023  122.169   9.3876  116.962   8.2162 5.206665 12.47527 
1 1 1    6   15   10 o  113.582   6.8484   91.882   9.4945   97.991   11.427   78.258   17.063  120.097   7.0213  107.067   11.760 13.03075 13.69683 
1 1 1    6   15   11 o  141.617   5.0334  135.764   9.6141  131.369   12.896  141.264   14.425  139.061   6.8434  144.173   7.3830 -5.111618 10.06684 
1 1 1    6   15   12 o  146.161   6.3293  144.224   11.344  142.659   13.405  148.174   21.295  144.912   6.8261  147.410   10.660 -2.497849 12.65856 
1 1 1    6   15   13 o  159.068   6.1793  174.954   11.922  178.552   14.101  165.932   22.327  162.142   6.4176  155.994   10.562 6.147888 12.35861 
1 1 1    6   15   14 o   89.399   7.7815   56.560   8.1642   58.791   9.5327   50.420   15.815   92.995   7.5644   85.803   13.601 7.191628 15.56309 
1 1 1    6   15   15 o  211.459   5.9619  299.035   15.530  292.003   18.354  316.763   29.142  207.334   6.5323  215.584   9.9753 -8.250458 11.92381 
1 1 1    6   15   16 o  171.222   5.7684  199.330   11.079  199.245   12.542  199.632   23.638  171.331   5.4019  171.113   10.194 0.2178192 11.53689 
1 1 1    6   15   17 o  131.105   6.1512  117.166   8.9486  117.289   10.093  116.716   19.351  131.439   5.6663  130.770   10.920 0.6692963 12.30235 
1 1 1    6   15   18 o  199.629   5.7427  275.573   12.894  279.216   14.664  263.154   27.075  202.818   5.3353  196.440   10.171 6.378876 11.48535 
1 1 1    6   15   19 o  119.285   6.4709  100.560   8.4443  103.272   9.5414   90.759   18.138  123.329   5.7091  115.241   11.615 8.087479 12.94183 
1 1 1    6   15   20 o  226.058   5.6878  343.773   14.558  340.593   16.506  354.911   30.888  223.988   5.4380  228.128   9.9916 -4.139771 11.37557 
1 1 1    6   15   21 o  201.345   5.7326  275.829   13.072  275.784   14.857  275.983   27.510  201.549   5.4396  201.141   10.093 0.4084930 11.46520 
1 1 1    6   15   22 o  109.777   7.0998   91.166   8.3464   98.190   9.5086   67.586   17.422  120.242   5.8355   99.311   12.945 20.93053 14.19967 
1 1 1    6   15   23 o   63.286   9.2253   31.973   6.5342   35.401   7.4436   20.462   13.642   72.137   7.6145   54.435   16.806 17.70185 18.45063 
1 1 1    6   15   24 o   86.430   6.9476   50.788   8.1373   50.788   8.1373   0.0000   0.0000   86.430   6.9476  ?   ?       ?      ? 
1 1 1    6   15   25 o  140.496   5.8007  134.073   11.044  134.073   11.044   0.0000   0.0000  140.496   5.8007  ?   ?       ?      ? 
1 1 1    6   15   26 o  186.605   9.2953  237.451   23.506  237.451   23.506   0.0000   0.0000  186.605   9.2953  ?   ?       ?      ? 
1 1 1    6   15   27 o  282.175   5.9234  536.130   19.361  530.436   22.165  554.461   39.768  279.432   5.8533  284.918   10.300 -5.485199 11.84687 
1 1 1    6   15   28 o  238.856   5.7716  383.534   15.806  379.201   18.009  398.066   32.980  236.280   5.6246  241.433   10.080 -5.153641 11.54325 
1 1 1    6   15   29 o  223.245   5.7723  340.299   14.864  341.056   17.038  337.889   30.409  224.076   5.6109  222.415   10.089 1.660950 11.54452 
1 1 1    6   15   30 o  107.866   7.2298   83.172   8.9375   86.748   10.332   72.543   17.812  112.941   6.7510  102.791   12.787 10.14973 14.45960 
1 1 1    6   15   31 o  287.830   6.0042  562.200   19.999  559.896   22.923  569.542   40.922  287.046   5.8930  288.615   10.463 -1.568939 12.00841 
1 1 1    6   15   32 o  206.758   5.6325  277.117   13.456  265.142   15.276  318.582   28.426  197.543   5.7064  215.972   9.7127 -18.42860 11.26497 
1 1 1    6   15   33 o  163.629   5.9044  184.622   11.089  186.529   12.710  178.543   22.692  165.687   5.6605  161.572   10.364 4.115723 11.80886 
1 1 1    6   15   34 o  215.064   5.6922  312.148   14.130  309.391   16.157  321.115   29.133  213.387   5.5874  216.740   9.9190 -3.353302 11.38447 
1 1 1    6   15   35 o  215.918   5.8789  329.254   14.650  340.457   16.944  296.066   29.163  223.834   5.5860  208.001   10.346 15.83232 11.75782 
1 1 1    6   15   36 o  229.896   5.7495  358.794   15.327  357.305   17.585  363.501   31.267  229.283   5.6597  230.508   10.010 -1.224609 11.49896 
1 1 1    6   15   37 o  165.426   5.9631  190.069   11.325  193.133   13.003  180.444   23.049  168.556   5.6926  162.297   10.480 6.259537 11.92616 
1 1 1    6   15   38 o   69.456   8.6466   30.868   7.0403   27.814   8.0946   40.353   14.267   63.777   9.3659   75.136   14.537 -11.35952 17.29323 
1 1 1    6   15   39 o  137.235   6.3530  120.176   11.260  102.537   13.636  157.983   19.963  122.561   8.2100  151.909   9.6974 -29.34814 12.70606 
1 1 1    6   15   40 o   90.808   8.4859   60.744   9.4423   69.187   11.972   46.848   15.359  100.598   8.7818   81.018   14.523 19.58092 16.97172 
1 1 1    6   15   41 o  184.278   6.0067  232.273   14.007  232.514   17.012  231.766   24.679  184.719   6.7961  183.836   9.9064 0.8833008 12.01345 
1 1 1    6   15   42 o  150.258   6.1775  154.393   11.729  154.178   14.219  154.850   20.746  150.365   6.9781  150.150   10.196 0.2149353 12.35500 
1 1 1    6   15   43 o   45.119   10.238   14.265   7.1276   16.958   8.7509   8.9560   12.286   48.611   13.022   41.626   15.801 6.984646 20.47520 
1 1 1    6   15   44 f  142.049   5.9830  138.367   10.209  138.570   11.950  137.819   19.643  142.596   6.1843  141.502   10.244 1.094162 11.96596 
1 1 1    6   15   45 o   97.883   6.8902   62.201   8.1045   58.242   9.3544   74.120   16.229   92.295   7.4792  103.471   11.574 -11.17621 13.78042 
1 1 1    6   15   46 o  155.996   5.9143  165.893   12.503  165.893   12.503   0.0000   0.0000  155.996   5.9143  ?   ?       ?      ? 
1 1 1    6   15   47 o   66.501   10.592   30.597   9.5453   30.597   9.5453   0.0000   0.0000   66.501   10.592  ?   ?       ?      ? 
1 1 1    6   15   48 o   67.381   7.4812   31.672   6.5457   40.823   9.7144   24.062   8.8586   76.945   9.3165   57.817   11.708 19.12879 14.96241 
1 1 1    6   15   49 o   81.302   6.2809   45.474   6.9039   46.812   10.171   44.331   9.4016   82.373   9.1116   80.231   8.6472 2.141609 12.56172 
1 1 1    6   15   50 o  128.047   5.1192  112.912   8.8465  103.546   12.692  121.762   12.337  122.776   7.6285  133.319   6.8287 -10.54235 10.23845 
1 1 1    6   15   51 o  122.740   6.1697  104.046   9.6484  104.135   16.770  104.001   11.796  122.376   10.112  123.104   7.0712 -0.7285309 12.33934 
1 1 1    6   15   52 f   77.105   7.3646   39.422   7.2754   47.968   13.015   35.538   8.7743   82.599   11.628   71.612   9.0416 10.98717 14.72930 
1 1 1    6   15   53 o   61.826   8.9280   31.484   6.8952   17.278   11.909   38.647   8.4568   48.911   15.784   74.741   8.3495 -25.83036 17.85599 
1 1 1    6   15   54 o   65.616   7.1797   29.986   6.3655   33.099   9.4008   27.351   8.6503   68.755   10.090   62.476   10.217 6.279331 14.35942 
1 1 1    6   15   55 o   71.044   6.8938   35.381   6.3263   46.671   9.4508   26.214   8.5155   81.947   8.5104   60.142   10.848 21.80547 13.78758 
1 1 1    6   15   56 o   46.781   9.9798   16.572   6.5954   13.062   12.492   17.928   7.7661   44.350   16.099   49.212   11.798 -4.862148 19.95968 
1 1 1    6   15   57 o   61.996   9.3679   26.936   7.1081   34.181   13.205   23.981   8.4345   66.870   14.947   57.122   11.296 9.748550 18.73582 
1 1 1    6   15   58 o   55.459   9.5025   25.088   7.1568   14.997   12.627   29.864   8.6867   45.937   16.244   64.982   9.8646 -19.04476 19.00494 
1 1 1    6   15   59 o   38.054   9.8698   6.3031   6.3966   17.253   11.912   1.8658   7.5828   47.833   15.807   28.274   11.824 19.55910 19.73961 
1 1 1    6   15   60 o   35.187   9.5093   7.2989   6.2731   2.9171   11.134   9.3366   7.5929   33.723   14.228   36.650   12.621 -2.927795 19.01857 
1 1 1    6   15   61 o   48.630   10.055   17.887   6.7006   19.398   12.008   17.204   8.0747   49.755   15.827   47.504   12.408 2.250900 20.11095 
1 1 1    6   15   62 o   42.844   10.923   13.175   8.1186   14.224   11.611   12.171   11.356   43.941   15.573   41.746   15.320 2.195240 21.84529 
1 1 1    6   15   63 o   34.812   10.050   4.4328   7.7542  -0.9954   10.897  10.0000   11.036   30.346   13.426   39.278   14.960 -8.931978 20.10081 
1 1 1    6   15   64 o   44.918   10.722   14.955   8.2253   22.339   11.535   7.3165   11.732   52.566   15.280   37.269   15.045 15.29760 21.44411 
1 1 1    6   15   65 o   79.798   9.3654   49.043   9.8450   52.675   13.684   45.146   14.174   84.040   12.016   75.556   14.369 8.483681 18.73084 
1 1 1    6   15   66 o   53.421   15.287   23.417   11.627   23.417   11.627   0.0000   0.0000   53.421   15.287  ?   ?       ?      ? 
1 1 1    6   15   67 o   49.802   15.525   20.430   11.609   20.430   11.609   0.0000   0.0000   49.802   15.525  ?   ?       ?      ? 
1 1 1    6   15   68 o   40.846   10.161   9.7362   7.9472  -1.4095   10.850   22.635   11.673   29.576   13.222   52.117   15.434 -22.54098 20.32297 
1 1 1    6   15   69 o   28.817   9.1467  -1.7801   7.3618  -2.6643   9.8052  -0.6376   11.145   27.332   12.363   30.301   13.483 -2.968464 18.29341 
1 1 1    6   15   70 o   31.711   9.4760   1.8927   7.5391   8.7700   9.9539  -7.3606   11.546   36.396   14.117   27.026   12.644 9.369305 18.95200 
1 1 1    6   15   71 o   30.770   9.6070   0.4192   7.7203  -1.4156   10.028   3.0895   12.097   28.166   12.642   33.375   14.469 -5.208740 19.21402 
1 1 1    6   15   72 o   34.783   14.885   5.0519   12.487   0.0000   0.0000   5.0519   12.487  ?   ?    34.783   14.885      ?      ? 
1 1 1    6   15   73 o   49.165   16.755   22.166   13.375   0.0000   0.0000   22.166   13.375  ?   ?    49.165   16.755      ?      ? 
1 1 1    6   15   74 o   53.326   10.522   23.697   9.1323   7.8373   12.304   43.148   13.627   35.970   15.054   70.681   14.705 -34.71142 21.04436 
1 1 1    6   15   75 o   58.102   11.609   31.606   9.5861   26.249   12.895   38.224   14.332   52.442   16.364   63.763   16.470 -11.32103 23.21777 
1 1 1    6   15   76 o   28.898   9.3945  -1.9069   8.3577  -2.9606   11.130  -0.5442   12.656   27.526   12.718   30.271   13.830 -2.744343 18.78898 
1 1 1    6   15   77 o   48.165   11.574   22.317   9.4730   12.971   12.604   34.454   14.362   38.524   15.579   57.807   17.120 -19.28270 23.14772 
1 1 1    6   15   78 o   35.857   14.709   10.703   11.429   10.703   11.429   0.0000   0.0000   35.857   14.709  ?   ?       ?      ? 
1 1 1    6   16    0 o  121.158   5.4086   99.027   8.8416   91.211   11.852  108.837   13.277  115.816   7.5515  126.501   7.7451 -10.68489 10.81721 
1 1 1    6   16    1 o  279.240   6.3250  529.419   22.720  536.062   38.908  525.982   27.988  280.347   10.241  278.134   7.4256 2.213348 12.65009 
1 1 1    6   16    2 o  229.579   6.2604  348.358   18.211  388.441   32.845  330.565   21.883  238.654   10.156  220.503   7.3233 18.15150 12.52083 
1 1 1    6   16    3 o  110.633   8.3810   83.304   12.565   0.0000   0.0000   83.304   12.565  ?   ?   110.633   8.3810      ?      ? 
1 1 1    6   16    4 o  177.325   7.1932  213.763   17.285   0.0000   0.0000  213.763   17.285  ?   ?   177.325   7.1932      ?      ? 
1 1 1    6   16    5 o  119.600   8.1113   97.332   13.146   0.0000   0.0000   97.332   13.146  ?   ?   119.600   8.1113      ?      ? 
1 1 1    6   16    6 f  102.211   7.0057   72.756   9.4225   63.897   14.679   78.965   12.288   96.716   11.200  107.706   8.4192 -10.99066 14.01149 
1 1 1    6   16    7 o   80.434   6.7559   43.443   7.2885   35.762   9.7208   53.305   11.015   72.417   9.9055   88.452   9.1896 -16.03445 13.51177 
1 1 1    6   16    8 o  124.575   5.3506  104.843   8.9957   98.031   12.072  113.349   13.489  120.064   7.4198  129.086   7.7111 -9.021561 10.70116 
1 1 1    6   16    9 o  329.905   5.3843  739.798   24.019  808.971   34.492  674.677   33.466  344.905   7.3797  314.905   7.8424 30.00040 10.76858 
1 1 1    6   16   10 o  267.457   5.0691  486.924   18.347  499.550   25.497  473.366   26.421  271.086   6.9406  263.828   7.3899 7.257263 10.13814 
1 1 1    6   16   11 o  149.557   5.1968  153.118   10.448  162.253   14.189  142.296   15.443  154.504   6.7768  144.610   7.8805 9.893326 10.39356 
1 1 1    6   16   12 o  222.362   6.1222  333.161   16.900  327.902   20.121  345.758   31.140  219.639   6.7603  225.085   10.209 -5.446320 12.24445 
1 1 1    6   16   13 o  193.068   5.9260  254.452   12.711  254.938   14.346  252.679   27.418  193.770   5.4635  192.366   10.518 1.403748 11.85204 
1 1 1    6   16   14 o  248.875   6.2991  428.973   19.410  439.689   23.307  404.718   35.063  254.326   6.7625  243.423   10.629 10.90335 12.59826 
1 1 1    6   16   15 o  238.920   6.7727  388.056   21.928  388.056   21.928   0.0000   0.0000  238.920   6.7727  ?   ?       ?      ? 
1 1 1    6   16   16 o  144.177   6.5166  132.691   10.017  127.505   11.044  156.745   23.785  137.001   5.9486  151.353   11.597 -14.35126 13.03323 
1 1 1    6   16   17 o  193.705   5.5155  254.811   14.478  254.811   14.478   0.0000   0.0000  193.705   5.5155  ?   ?       ?      ? 
1 1 1    6   16   18 o  220.571   5.5653  330.418   16.635  330.418   16.635   0.0000   0.0000  220.571   5.5653  ?   ?       ?      ? 
1 1 1    6   16   19 o  309.487   6.0128  650.792   25.218  650.792   25.218   0.0000   0.0000  309.487   6.0128  ?   ?       ?      ? 
1 1 1    6   16   20 o  197.345   6.0071  263.500   13.361  262.014   15.135  268.743   28.438  196.399   5.6868  198.291   10.583 -1.891998 12.01415 
1 1 1    6   16   21 o  241.776   7.2557  400.381   23.557  470.334   33.782  334.166   32.867  262.529   9.4956  221.023   10.973 41.50563 14.51139 
1 1 1    6   16   22 o  310.190   6.2362  643.528   22.100  633.045   25.113  679.512   46.531  305.207   6.0719  315.173   10.895 -9.965668 12.47241 
1 1 1    6   16   23 o  192.343   6.0018  252.771   13.163  253.301   15.013  251.009   27.375  193.088   5.7376  191.598   10.544 1.489944 12.00357 
1 1 1    6   16   24 o  115.462   6.5459   82.081   8.7895   74.696   9.9251  108.922   18.922  104.782   6.9899  126.143   11.070 -21.36143 13.09178 
1 1 1    6   16   25 o  164.447   5.8923  180.000   11.045  176.449   12.528  192.387   23.400  161.148   5.7368  167.747   10.294 -6.599625 11.78454 
1 1 1    6   16   26 o  224.615   5.6828  334.978   14.661  327.486   16.675  360.499   30.775  219.546   5.6046  229.684   9.8876 -10.13811 11.36555 
1 1 1    6   16   27 o   52.023   9.9459   18.378   6.4282   17.707   7.3703   20.512   13.140   49.877   11.181   54.168   16.452 -4.291283 19.89178 
1 1 1    6   16   28 o  110.160   6.2592   74.034   8.1165   66.286   9.2001  101.236   17.238   98.695   6.8788  121.626   10.459 -22.93049 12.51835 
1 1 1    6   16   29 o  189.635   5.7041  237.609   12.445  231.173   14.150  259.594   26.151  184.432   5.6614  194.837   9.9044 -10.40482 11.40824 
1 1 1    6   16   30 o  104.593   6.9865   76.331   8.3902   77.729   9.6410   71.966   17.033  106.876   6.6567  102.310   12.285 4.565498 13.97295 
1 1 1    6   16   31 o   92.746   8.2831   66.491   8.0512   72.249   9.2521   48.532   16.341  103.034   6.6264   82.458   15.183 20.57543 16.56612 
1 1 1    6   16   32 o  102.365   6.9332   71.288   8.1832   70.904   9.3635   72.531   16.838  102.051   6.7707  102.678   12.101 -0.6274109 13.86635 
1 1 1    6   16   33 o   79.745   9.1248   50.887   7.8276   57.071   9.1147   33.509   15.279   91.507   7.3503   67.983   16.704 23.52372 18.24969 
1 1 1    6   16   34 o  141.420   7.5816  137.822   14.471  146.796   20.064  128.094   20.891  146.337   10.118  136.504   11.294 9.832794 15.16316 
1 1 1    6   16   35 f  127.347   7.7592  111.282   13.378  105.172   18.518  117.951   19.347  123.684   11.048  131.009   10.898 -7.324516 15.51849 
1 1 1    6   16   36 o  110.487   6.8802   80.661   9.6611   75.407   11.614   92.466   17.408  105.053   8.1580  115.922   11.081 -10.86912 13.76046 
1 1 1    6   16   37 o   85.488   7.9102   50.448   8.5634   50.634   10.420   50.059   15.030   85.986   8.9425   84.989   13.050 0.9974060 15.82033 
1 1 1    6   16   38 o   65.567   9.7029   27.844   7.8875   22.117   9.4221   41.259   14.419   55.420   12.803   75.714   14.583 -20.29436 19.40571 
1 1 1    6   16   39 o  109.288   6.6654   79.647   8.6086   77.270   9.9132   86.935   17.361  106.409   6.8747  112.167   11.422 -5.757950 13.33086 
1 1 1    6   16   40 o   55.242   10.050   20.096   6.8067   17.821   7.8542   26.958   13.642   49.756   11.823   60.729   16.255 -10.97262 20.10033 
1 1 1    6   16   41 o  116.871   6.7685   94.067   9.0002   94.119   10.257   93.893   18.762  117.439   6.4453  116.303   11.904 1.135429 13.53704 
1 1 1    6   16   42 o   72.130   8.6583   35.740   8.4632   35.740   8.4632   0.0000   0.0000   72.130   8.6583  ?   ?       ?      ? 
1 1 1    6   16   43 o  114.253   6.9231   87.911   9.0564   86.031   10.296   94.339   19.038  112.174   6.7731  116.331   12.077 -4.157700 13.84628 
1 1 1    6   16   44 o   88.184   8.3615   60.691   8.1519   67.722   9.6612   43.312   15.189   99.434   7.1699   76.935   15.108 22.49969 16.72302 
1 1 1    6   16   45 o   62.545   9.3114   24.938   7.0048   20.243   8.1516   38.191   13.696   52.866   11.689   72.224   14.498 -19.35853 18.62288 
1 1 1    6   16   46 o   55.562   9.1204   26.330   7.0634   34.380   8.4534   7.7101   12.857   70.560   8.8407   40.564   15.955 29.99602 18.24089 
1 1 1    6   16   47 o  125.339   6.2910  108.439   9.4074  108.193   10.965  109.125   18.311  125.680   6.4382  124.999   10.810 0.6811600 12.58203 
1 1 1    6   16   48 o   70.923   9.5098   40.591   8.3546   50.666   10.564   23.766   13.651   85.470   9.1207   56.376   16.690 29.09430 19.01967 
1 1 1    6   16   49 o   56.433   10.058   24.137   7.5922   25.883   9.6418   21.289   12.317   59.435   12.373   53.431   15.861 6.003475 20.11686 
1 1 1    6   16   50 o   44.154   8.9976   15.431   6.3873   21.474   7.6394   1.3953   11.643   54.407   10.743   33.901   14.437 20.50566 17.99520 
1 1 1    6   16   51 f   60.329   9.0784   27.259   6.7015   28.294   7.9522   24.722   12.449   63.667   9.2171   56.992   15.643 6.674511 18.15684 
1 1 1    6   16   52 o   81.053   10.214   51.232   10.519   28.907   15.065   72.469   14.694   60.887   17.393  101.219   10.713 -40.33262 20.42749 
1 1 1    6   16   53 o   88.421   7.2479   50.113   7.8966   68.328   15.490   43.718   9.1788   97.703   11.700   79.140   8.5587 18.56335 14.49589 
1 1 1    6   16   54 o   81.875   7.9049   47.879   7.8720   48.016   14.772   47.825   9.3030   80.991   13.459   82.760   8.2951 -1.769302 15.80990 
1 1 1    6   16   55 o   53.330   9.3619   15.824   6.6296   39.329   13.000   7.5628   7.7071   72.040   13.819   34.621   12.634 37.41897 18.72377 
1 1 1    6   16   56 o   75.470   9.1052   46.767   7.8543   32.594   14.240   52.965   9.4163   63.938   16.365   87.002   7.9867 -23.06399 18.21032 
1 1 1    6   16   57 o   63.045   9.1859   29.532   7.1772   30.898   12.970   28.929   8.6168   62.468   15.415   63.623   9.9943 -1.154198 18.37175 
1 1 1    6   16   58 o   40.229   10.000   11.493   6.5041   10.499   11.658   11.943   7.8372   40.383   15.376   40.075   12.791 0.3073082 20.00072 
1 1 1    6   16   59 o   30.943   9.3829   0.2653   7.3667  -6.4399   10.885   5.9322   10.007   27.197   12.571   34.688   13.933 -7.491074 18.76574 
1 1 1    6   16   60 o   63.602   10.526   32.307   8.9338   36.159   12.772   28.617   12.501   67.715   14.363   59.489   15.390 8.226410 21.05146 
1 1 1    6   16   61 o   92.313   9.0611   65.094   10.710   48.167   14.945   82.964   15.356   77.986   14.680  106.640   10.626 -28.65336 18.12223 
1 1 1    6   16   62 o   56.779   10.741   26.337   8.7351   17.986   12.291   34.861   12.417   47.381   16.062   66.177   14.266 -18.79599 21.48280 
1 1 1    6   16   63 o   34.423   9.8698   3.6758   7.8784   12.287   10.739  -6.3580   11.593   40.928   14.917   27.919   12.928 13.00917 19.73950 
1 1 1    6   16   64 o   41.026   15.135   12.371   11.105   12.371   11.105   0.0000   0.0000   41.026   15.135  ?   ?       ?      ? 
1 1 1    6   16   65 o   68.814   14.242   38.167   12.843   38.167   12.843   0.0000   0.0000   68.814   14.242  ?   ?       ?      ? 
1 1 1    6   16   66 o   44.106   10.177   13.852   8.0855   26.291   11.453   1.4930   11.416   56.252   14.818   31.960   13.953 24.29150 20.35358 
1 1 1    6   16   67 o   43.852   10.940   15.591   8.0915   14.935   11.230   16.299   11.669   43.120   15.312   44.583   15.629 -1.463367 21.87933 
1 1 1    6   16   68 o   33.374   9.8206   3.4228   7.6611  -3.1812   10.432   11.155   11.288   27.606   12.591   39.142   15.075 -11.53555 19.64125 
1 1 1    6   16   69 o   43.002   10.602   14.861   8.3355   22.694   11.186   5.0798   12.499   51.208   15.094   34.796   14.891 16.41145 21.20327 
1 1 1    6   16   70 o   37.423   15.277   9.2956   12.253   0.0000   0.0000   9.2956   12.253  ?   ?    37.423   15.277      ?      ? 
1 1 1    6   16   71 o   36.473   15.162   8.4515   12.363   0.0000   0.0000   8.4515   12.363  ?   ?    36.473   15.162      ?      ? 
1 1 1    6   16   72 o   61.795   9.5492   30.591   9.6236   5.0398   12.744   64.489   14.679   33.964   14.788   89.627   12.086 -55.66272 19.09841 
1 1 1    6   16   73 o   59.089   11.513   34.056   9.6791   38.698   13.195   28.648   14.242   65.096   15.228   53.081   17.271 12.01505 23.02618 
1 1 1    6   16   74 o   24.024   11.381  -6.6657   9.8902  -6.6657   9.8902   0.0000   0.0000   24.024   11.381  ?   ?       ?      ? 
1 1 1    6   17    0 o  101.606   6.1016   69.710   8.3473   65.021   11.068   75.894   12.711   97.698   8.3601  105.515   8.8898 -7.816177 12.20329 
1 1 1    6   17    1 o   55.192   9.3707   21.400   6.8327   19.689   8.8634   23.906   10.727   52.549   12.608   57.835   13.866 -5.285530 18.74144 
1 1 1    6   17    2 o  142.552   5.2619  139.185   10.086  147.639   13.712  129.219   14.887  147.344   6.8672  137.760   7.9746 9.584869 10.52389 
1 1 1    6   17    3 o   71.338   7.9246   36.408   7.2377   42.519   9.7323   28.848   10.826   78.963   9.0952   63.712   12.980 15.25063 15.84927 
1 1 1    6   17    4 o   88.475   6.5734   53.217   7.8398   51.736   10.498   55.084   11.788   87.114   8.8928   89.837   9.6829 -2.723114 13.14686 
1 1 1    6   17    5 f   91.510   6.6494   58.711   8.0172   69.099   10.863   46.285   11.881  100.736   7.9578   82.284   10.655 18.45145 13.29884 
1 1 1    6   17    6 o  152.976   5.2000  158.347   10.747  147.929   14.520  170.967   15.981  147.451   7.2666  158.501   7.4403 -11.05069 10.40005 
1 1 1    6   17    7 o  110.360   5.9281   83.464   8.8080   88.640   12.043   77.510   12.915  114.102   7.7887  106.617   8.9391 7.485191 11.85629 
1 1 1    6   17    8 o  106.659   6.2406   76.135   8.9351   66.677   11.719   89.270   13.809   98.897   8.7441  114.420   8.9061 -15.52253 12.48112 
1 1 1    6   17    9 o  210.857   6.1437  295.224   16.347  282.372   19.602  324.577   29.624  203.729   7.1002  217.985   10.028 -14.25624 12.28748 
1 1 1    6   17   10 o  105.968   7.7219   76.593   10.324   76.193   12.487   77.459   18.351  105.716   8.7164  106.219   12.749 -0.5031662 15.44385 
1 1 1    6   17   11 o  112.655   8.1267   98.355   10.712  117.646   13.172   60.688   18.406  131.473   7.3933   93.835   14.474 37.63816 16.25336 
1 1 1    6   17   12 o  224.283   6.5957  358.724   18.289  385.254   22.262  303.635   32.079  237.979   6.9030  210.587   11.241 27.39218 13.19142 
1 1 1    6   17   13 o  135.239   6.5583  120.788   9.9052  117.828   11.132  132.040   21.705  131.656   6.2395  138.823   11.538 -7.167389 13.11661 
1 1 1    6   17   14 o  256.204   6.0238  436.413   17.436  427.719   19.704  467.786   37.431  250.891   5.7954  261.517   10.562 -10.62640 12.04766 
1 1 1    6   17   15 o  335.169   7.8956  770.110   35.819  790.325   49.889  748.603   51.459  339.817   10.834  330.521   11.489 9.296906 15.79130 
1 1 1    6   17   16 o  355.005   8.0560  863.541   38.708  862.490   53.428  864.701   56.158  354.875   11.110  355.134   11.669 -0.2593689 16.11199 
1 1 1    6   17   17 o  165.194   6.5825  185.918   13.285  185.389   15.694  187.255   24.958  165.052   7.0164  165.336   11.139 -0.2839203 13.16493 
1 1 1    6   17   18 o  256.591   6.3200  439.139   20.099  424.856   23.813  474.519   37.478  249.850   7.0332  263.333   10.502 -13.48247 12.63991 
1 1 1    6   17   19 o  190.441   7.1684  247.000   18.356  239.956   24.337  256.297   27.959  187.400   9.5832  193.483   10.663 -6.083405 14.33672 
1 1 1    6   17   20 o   85.810   12.089   50.574   14.058   50.574   14.058   0.0000   0.0000   85.810   12.089  ?   ?       ?      ? 
1 1 1    6   17   21 o  114.057   7.8306   88.662   12.103   88.662   12.103   0.0000   0.0000  114.057   7.8306  ?   ?       ?      ? 
1 1 1    6   17   22 o  161.462   6.6233  185.481   13.004  196.108   15.574  161.007   23.634  169.745   6.7704  153.180   11.386 16.56523 13.24656 
1 1 1    6   17   23 o   70.649   9.9808   36.816   8.5218   39.241   10.165   31.081   15.632   75.728   9.9053   65.570   17.331 10.15873 19.96161 
1 1 1    6   17   24 o   99.274   7.4922   63.853   9.2582   58.753   10.907   77.004   17.514   92.757   8.6769  105.790   12.217 -13.03230 14.98441 
1 1 1    6   17   25 o   95.558   8.6490   69.015   9.4156   76.328   11.261   52.026   17.165  105.787   7.8552   85.329   15.411 20.45811 17.29792 
1 1 1    6   17   26 o   76.102   9.3389   45.052   7.6387   48.784   8.7586   33.195   15.613   84.578   7.6418   67.625   17.043 16.95335 18.67785 
1 1 1    6   17   27 o  166.167   5.9959  191.234   11.464  193.648   13.164  183.658   23.321  168.734   5.7573  163.600   10.519 5.134796 11.99180 
1 1 1    6   17   28 o   59.357   10.930   22.961   8.5523   17.357   10.388   34.754   15.068   49.523   14.531   69.191   16.332 -19.66815 21.86055 
1 1 1    6   17   29 f   97.351   8.2234   69.659   9.7945   77.414   11.992   54.123   16.974  106.430   8.3149   88.271   14.190 18.15961 16.44671 
1 1 1    6   17   30 o   74.502   8.7772   36.425   7.5928   33.804   8.7288   44.577   15.392   70.247   9.1694   78.757   14.969 -8.509590 17.55432 
1 1 1    6   17   31 o  328.264   6.4055  744.338   24.319  750.007   27.959  726.721   49.286  331.821   6.2178  324.706   11.201 7.114838 12.81099 
1 1 1    6   17   32 o   63.447   9.5960   36.145   7.4357   44.057   8.5656   11.950   14.979   80.276   7.8739   46.618   17.502 33.65857 19.19197 
1 1 1    6   17   33 o   53.620   10.334   18.415   6.7955   16.137   7.7411   26.071   14.189   47.379   12.034   59.862   16.803 -12.48317 20.66786 
1 1 1    6   17   34 o  165.143   5.9277  185.713   11.323  184.637   12.974  189.149   23.192  164.627   5.8155  165.659   10.331 -1.031815 11.85546 
1 1 1    6   17   35 o  151.196   6.0913  155.744   10.671  154.713   12.236  159.021   21.810  150.646   5.9938  151.745   10.606 -1.099350 12.18265 
1 1 1    6   17   36 f  114.996   6.7221   87.867   9.0408   84.870   10.348   97.529   18.582  111.446   6.8521  118.547   11.567 -7.101563 13.44412 
1 1 1    6   17   37 o  164.623   6.0559  184.919   13.510  184.919   13.510   0.0000   0.0000  164.623   6.0559  ?   ?       ?      ? 
1 1 1    6   17   38 o  161.171   6.0660  177.328   13.249  177.328   13.249   0.0000   0.0000  161.171   6.0660  ?   ?       ?      ? 
1 1 1    6   17   39 o   68.093   9.5641   38.339   7.5934   44.351   8.9344   22.699   14.411   80.319   8.2085   55.867   17.277 24.45139 19.12827 
1 1 1    6   17   40 o   53.410   10.090   18.797   6.7756   16.051   7.8808   26.579   13.267   47.000   12.249   59.821   16.038 -12.82088 20.18067 
1 1 1    6   17   41 o   53.146   9.9198   21.218   6.8109   22.374   7.9847   18.130   13.050   55.744   10.961   50.548   16.537 5.195576 19.83960 
1 1 1    6   17   42 o  120.288   6.6670   97.068   10.316   90.480   12.554  110.767   18.104  114.574   8.0858  126.002   10.602 -11.42870 13.33392 
1 1 1    6   17   43 f   83.826   7.9516   47.810   8.5794   44.727   10.457   54.160   15.006   80.205   9.6212   87.447   12.663 -7.241806 15.90319 
1 1 1    6   17   44 o   47.185   9.6165   10.743   7.2775   0.1259   8.9369   31.641   12.538   29.238   12.554   65.131   14.571 -35.89286 19.23310 
1 1 1    6   17   45 o   77.956   8.8744   50.722   7.5698   59.071   8.9999   30.531   13.995   92.603   7.1718   63.308   16.235 29.29488 17.74889 
1 1 1    6   17   46 o   35.124   9.6629   6.2283   6.2257   6.4523   7.4348   5.7026   11.389   33.338   12.367   36.910   14.851 -3.571606 19.32588 
1 1 1    6   17   47 o  159.031   5.8379  171.646   10.995  167.454   12.699  184.198   21.974  156.167   6.0005  161.894   10.016 -5.726654 11.67590 
1 1 1    6   17   48 o   30.974   9.3187   0.0191   7.1986   5.5772   9.5377  -7.3383   10.973   34.585   13.698   27.363   12.638 7.221853 18.63743 
1 1 1    6   17   49 o   53.978   10.540   21.614   7.8267   18.641   9.9931   26.332   12.588   49.624   14.162   58.332   15.615 -8.708668 21.08076 
1 1 1    6   17   50 o   55.260   10.226   23.920   7.7461   26.476   10.001   20.088   12.247   59.355   12.809   51.166   15.945 8.189014 20.45257 
1 1 1    6   17   51 o   57.656   9.8532   23.927   7.6728   16.041   9.8147   36.321   12.305   46.090   14.259   69.222   13.602 -23.13247 19.70649 
1 1 1    6   17   52 o   31.056   9.4965   0.7008   7.2021   0.9318   9.2608   0.3473   11.457   29.828   12.793   32.284   14.038 -2.455559 18.99292 
1 1 1    6   17   53 f   80.672   8.0804   46.520   8.6380   43.781   10.992   50.943   13.968   78.089   10.387   83.255   12.381 -5.165710 16.16088 
1 1 1    6   17   54 o   57.892   12.943   25.727   9.8990   25.727   9.8990   0.0000   0.0000   57.892   12.943  ?   ?       ?      ? 
1 1 1    6   17   55 o   81.099   9.9177   47.265   10.900   47.265   10.900   0.0000   0.0000   81.099   9.9177  ?   ?       ?      ? 
1 1 1    6   17   56 o   62.228   12.300   29.548   10.005   29.548   10.005   0.0000   0.0000   62.228   12.300  ?   ?       ?      ? 
1 1 1    6   17   57 f   61.283   12.637   28.955   10.146   28.955   10.146   0.0000   0.0000   61.283   12.637  ?   ?       ?      ? 
1 1 1    6   17   58 o   71.920   15.206   41.735   14.356   41.735   14.356   0.0000   0.0000   71.920   15.206  ?   ?       ?      ? 
1 1 1    6   17   59 o   61.924   10.528   31.261   8.7573   27.740   12.523   34.631   12.251   57.931   15.603   65.916   14.139 -7.984596 21.05613 
1 1 1    6   17   60 o   35.641   10.168   6.5555   7.6329   9.5204   10.994   3.7963   10.606   38.256   14.837   33.025   13.907 5.231430 20.33599 
1 1 1    6   17   61 o   35.215   14.400   6.2746   10.909   6.2746   10.909   0.0000   0.0000   35.215   14.400  ?   ?       ?      ? 
1 1 1    6   17   62 o   72.945   13.806   42.514   13.148   42.514   13.148   0.0000   0.0000   72.945   13.806  ?   ?       ?      ? 
1 1 1    6   17   63 o   34.720   9.9844   5.0426   7.7903   12.041   10.952  -2.1240   11.083   40.203   14.991   29.236   13.192 10.96684 19.96888 
1 1 1    6   17   64 f   36.845   10.290   8.0819   7.8620   2.6123   11.149   13.492   11.088   32.208   13.927   41.483   15.151 -9.274532 20.57945 
1 1 1    6   17   65 o   37.251   10.150   7.6215   7.8441  -1.0193   10.783   17.333   11.432   29.256   13.122   45.247   15.490 -15.99115 20.30094 
1 1 1    6   17   66 o   28.851   9.1154  -2.0446   7.5528   4.4971   10.633  -8.7062   10.730   32.695   13.855   25.008   11.849 7.686863 18.23088 
1 1 1    6   17   67 o   39.942   10.663   11.200   8.3545   3.3039   11.368   20.473   12.319   32.261   14.006   47.622   16.081 -15.36079 21.32544 
1 1 1    6   17   68 o   53.659   16.657   27.270   13.380   0.0000   0.0000   27.270   13.380  ?   ?    53.659   16.657      ?      ? 
1 1 1    6   17   69 o   54.780   16.576   28.928   13.357   0.0000   0.0000   28.928   13.357  ?   ?    54.780   16.576      ?      ? 
1 1 1    6   18    0 o   88.934   7.9990   53.785   8.8917   53.087   10.653   55.387   16.144   88.190   8.9141   89.679   13.284 -1.488991 15.99801 
1 1 1    6   18    1 o  100.226   6.4297   70.319   8.5000   79.468   11.319   58.488   12.872  107.997   7.7342   92.455   10.274 15.54205 12.85945 
1 1 1    6   18    2 o  111.584   6.0173   84.340   9.0027   81.054   11.802   88.912   13.922  109.048   7.9866  114.119   9.0026 -5.071571 12.03461 
1 1 1    6   18    3 o  233.321   5.1022  372.137   16.067  397.277   22.295  344.971   23.176  241.615   6.8094  225.028   7.6001 16.58698 10.20435 
1 1 1    6   18    4 o  184.170   5.1991  230.100   12.902  223.035   17.233  239.109   19.460  181.007   7.0258  187.333   7.6657 -6.325897 10.39827 
1 1 1    6   18    5 f  211.720   6.6630  316.978   17.165  332.213   20.508  281.333   31.369  220.933   6.8500  202.507   11.431 18.42625 13.32609 
1 1 1    6   18    6 o  116.208   8.1713   99.056   10.884  105.723   12.680   80.399   21.211  124.575   7.5111  107.841   14.514 16.73393 16.34262 
1 1 1    6   18    7 o   83.221   10.470   56.950   9.5780   65.377   11.196   33.954   18.495   97.890   8.4402   68.552   19.164 29.33761 20.94036 
1 1 1    6   18    8 o  189.089   6.4233  237.798   14.939  229.363   17.592  259.605   28.287  183.535   7.0733  194.643   10.724 -11.10791 12.84661 
1 1 1    6   18    9 o  238.180   7.3650  388.627   23.719  390.007   32.514  387.056   34.678  238.720   10.051  237.640   10.768 1.079453 14.73006 
1 1 1    6   18   10 o   95.235   9.7818   62.475   12.522   61.368   16.621   63.927   19.043   94.369   12.997   96.102   14.622 -1.733849 19.56369 
1 1 1    6   18   11 o  212.719   5.1568  307.392   14.816  298.150   20.033  318.552   22.014  209.235   7.0653  216.204   7.5136 -6.968353 10.31368 
1 1 1    6   18   12 o  139.886   7.1344  140.453   12.008  149.318   14.317  119.415   22.055  148.058   7.1355  131.714   12.357 16.34416 14.26889 
1 1 1    6   18   13 o   84.617   9.0540   50.899   7.9763   51.419   8.9335   48.855   17.711   86.849   7.5906   82.385   16.440 4.464325 18.10799 
1 1 1    6   18   14 o  186.027   6.1019  232.098   12.681  228.893   14.290  243.982   27.513  183.471   5.7473  188.583   10.766 -5.112442 12.20384 
1 1 1    6   18   15 o  272.460   6.1634  505.050   19.011  503.289   21.589  511.127   40.112  272.028   5.8566  272.892   10.847 -0.8639832 12.32690 
1 1 1    6   18   16 o   86.283   8.1860   50.199   7.8232   49.470   8.7891   52.981   17.165   85.169   7.6152   87.398   14.493 -2.229263 16.37206 
1 1 1    6   18   17 o   56.134   9.8780   25.107   6.8817   28.227   7.7349   13.256   15.073   64.252   8.8835   48.016   17.646 16.23643 19.75595 
1 1 1    6   18   18 o   74.346   8.5780   28.576   7.1398   21.386   7.8939   60.906   16.739   54.843   11.004   93.849   13.162 -39.00595 17.15609 
1 1 1    6   18   19 o   81.789   8.0727   40.560   7.4990   36.586   8.3728   56.672   16.860   73.164   8.4448   90.415   13.761 -17.25073 16.14531 
1 1 1    6   18   20 o  174.191   6.1349  208.493   11.977  209.253   13.573  205.819   25.460  175.375   5.7113  173.006   10.860 2.369644 12.26985 
1 1 1    6   18   21 o   46.050   10.017   15.365   7.7741   22.617   9.2672  -1.8605   14.282   56.141   12.502   35.960   15.656 20.18072 20.03490 
1 1 1    6   18   22 o  115.052   7.9457  101.981   10.683  118.352   12.967   67.393   18.848  131.694   7.2659   98.411   14.133 33.28357 15.89140 
1 1 1    6   18   23 o   47.040   10.692   15.782   7.8615   19.578   9.3463   6.5972   14.537   52.127   13.213   41.953   16.814 10.17353 21.38449 
1 1 1    6   18   24 o  128.891   6.6763  116.990   9.7277  119.566   11.118  108.580   20.088  132.469   6.1936  125.314   11.829 7.155045 13.35257 
1 1 1    6   18   25 o   62.901   10.703   26.668   8.3430   23.577   9.8384   34.581   15.742   57.167   12.994   68.635   17.010 -11.46788 21.40578 
1 1 1    6   18   26 o   24.199   11.206  -7.0848   8.7091  -7.0848   8.7091   0.0000   0.0000   24.199   11.206  ?   ?       ?      ? 
1 1 1    6   18   27 o  142.339   6.6580  134.584   10.398  131.376   11.616  147.516   23.321  138.806   6.1755  145.873   11.797 -7.066727 13.31595 
1 1 1    6   18   28 o  108.018   6.8930   74.409   8.6383   69.363   9.7832   92.263   18.402  100.729   7.1671  115.307   11.777 -14.57831 13.78609 
1 1 1    6   18   29 o  158.629   5.9494  159.429   10.948  148.263   12.391  199.150   23.371  147.408   6.2033  169.850   10.154 -22.44226 11.89885 
1 1 1    6   18   30 o  174.985   6.1048  212.268   12.290  213.972   14.101  206.881   25.071  177.121   5.8747  172.850   10.703 4.271469 12.20955 
1 1 1    6   18   31 o   81.041   10.481   45.486   11.511   45.486   11.511   0.0000   0.0000   81.041   10.481  ?   ?       ?      ? 
1 1 1    6   18   32 o  136.211   7.7247  127.305   14.259  127.305   14.259   0.0000   0.0000  136.211   7.7247  ?   ?       ?      ? 
1 1 1    6   18   33 o   83.339   8.9850   49.302   9.1855   49.138   11.141   49.650   16.232   84.266   9.7564   82.412   15.091 1.854202 17.96990 
1 1 1    6   18   34 o  137.244   6.6351  130.965   11.586  132.336   14.188  128.222   20.074  138.823   7.5420  135.665   10.919 3.158127 13.27029 
1 1 1    6   18   35 o   57.493   10.024   26.459   8.0369   32.803   9.7728   13.205   14.126   68.639   10.507   46.347   17.075 22.29218 20.04843 
1 1 1    6   18   36 o   89.804   13.052   57.108   15.884   0.0000   0.0000   57.108   15.884  ?   ?    89.804   13.052      ?      ? 
1 1 1    6   18   37 o   85.277   7.8761   48.177   8.6285   42.756   10.419   60.014   15.395   78.386   9.8082   92.169   12.326 -13.78279 15.75222 
1 1 1    6   18   38 o   66.938   9.0864   31.867   7.1448   31.256   8.3135   33.593   13.975   67.089   9.1444   66.787   15.704 0.3013382 18.17276 
1 1 1    6   18   39 o   86.391   7.1999   48.632   7.4806   44.797   8.6206   60.323   15.052   80.519   7.9005   92.263   12.039 -11.74386 14.39972 
1 1 1    6   18   40 o   48.760   10.042   14.493   6.4600   10.395   7.4889   26.410   12.770   38.547   12.523   58.973   15.701 -20.42513 20.08349 
1 1 1    6   18   41 o  149.678   5.9259  143.878   10.363  133.500   11.771  179.643   21.853  139.404   6.2312  159.952   10.082 -20.54813 11.85186 
1 1 1    6   18   42 o   49.222   9.8867   14.828   6.3906   10.335   7.4265   27.645   12.544   38.311   12.472   60.133   15.344 -21.82234 19.77340 
1 1 1    6   18   43 o   52.709   10.459   21.771   7.8755   25.279   9.9920   16.016   12.797   58.113   13.012   47.304   16.379 10.80930 20.91821 
1 1 1    6   18   44 o   76.573   8.8849   43.594   8.5808   45.487   10.847   40.427   14.027   80.242   9.9753   72.904   14.706 7.338646 17.76975 
1 1 1    6   18   45 o   33.454   9.4779   3.6846   7.0428   9.7049   9.1652  -4.9962   11.006   38.364   13.810   28.544   12.985 9.820076 18.95586 
1 1 1    6   18   46 o   38.232   10.124   7.9003   7.0571   4.0318   9.0125   14.032   11.346   32.249   13.126   44.214   15.416 -11.96500 20.24727 
1 1 1    6   18   47 o   39.313   10.305   9.3492   7.1844   6.6497   9.1710   13.638   11.559   34.883   13.545   43.744   15.534 -8.861507 20.61026 
1 1 1    6   18   48 o   68.685   9.3903   36.887   8.2421   41.418   10.591   29.930   13.124   76.027   10.280   61.342   15.717 14.68499 18.78060 
1 1 1    6   18   49 o   53.301   9.3371   22.853   7.8547   35.172   10.335   6.0067   12.086   69.691   10.943   36.911   15.132 32.78038 18.67424 
1 1 1    6   18   50 o   30.782   12.846   2.8772   8.9246   2.8772   8.9246   0.0000   0.0000   30.782   12.846  ?   ?       ?      ? 
1 1 1    6   18   51 o   39.209   13.983   10.889   9.3758   10.889   9.3758   0.0000   0.0000   39.209   13.983  ?   ?       ?      ? 
1 1 1    6   18   52 o   67.690   11.206   33.615   10.279   33.615   10.279   0.0000   0.0000   67.690   11.206  ?   ?       ?      ? 
1 1 1    6   18   53 o   90.256   9.4811   58.597   11.596   58.597   11.596   0.0000   0.0000   90.256   9.4811  ?   ?       ?      ? 
1 1 1    6   18   54 o  106.712   8.6056   81.225   12.444   81.225   12.444   0.0000   0.0000  106.712   8.6056  ?   ?       ?      ? 
1 1 1    6   18   55 o   53.228   13.435   22.504   9.6920   22.504   9.6920   0.0000   0.0000   53.228   13.435  ?   ?       ?      ? 
1 1 1    6   18   56 o   52.677   12.936   21.926   9.1672   21.926   9.1672   0.0000   0.0000   52.677   12.936  ?   ?       ?      ? 
1 1 1    6   18   57 o   41.490   13.673   13.419   8.9151   13.419   8.9151   0.0000   0.0000   41.490   13.673  ?   ?       ?      ? 
1 1 1    6   18   58 f   47.334   15.860   18.575   11.982   18.575   11.982   0.0000   0.0000   47.334   15.860  ?   ?       ?      ? 
1 1 1    6   18   59 o   27.735   12.653  -3.5382   10.544  -3.5382   10.544   0.0000   0.0000   27.735   12.653  ?   ?       ?      ? 
1 1 1    6   18   60 o   37.772   13.430   10.769   8.6428   10.769   8.6428   0.0000   0.0000   37.772   13.430  ?   ?       ?      ? 
1 1 1    6   18   61 o   24.235   10.984  -2.4736   7.7827  -2.4736   7.7827   0.0000   0.0000   24.235   10.984  ?   ?       ?      ? 
1 1 1    6   18   62 o   22.734   10.563  -4.8240   7.8390  -4.8240   7.8390   0.0000   0.0000   22.734   10.563  ?   ?       ?      ? 
1 1 1    6   18   63 o   24.520   11.103  -2.1013   7.9312  -2.1013   7.9312   0.0000   0.0000   24.520   11.103  ?   ?       ?      ? 
1 1 1    6   18   64 o   36.886   13.064   10.817   8.1700   10.817   8.1700   0.0000   0.0000   36.886   13.064  ?   ?       ?      ? 
1 1 1    6   18   65 o   30.554   13.669   0.9569   11.622   0.9569   11.622   0.0000   0.0000   30.554   13.669  ?   ?       ?      ? 
1 1 1    6   19    0 o  101.359   6.7884   72.729   9.0157   85.491   12.096   56.778   13.523  111.873   7.9789   90.844   10.985 21.02953 13.57681 
1 1 1    6   19    1 o   96.764   6.6312   63.719   8.6181   61.049   11.354   67.347   13.237   94.446   8.8714   99.082   9.8584 -4.635727 13.26233 
1 1 1    6   19    2 o   80.266   7.5384   43.558   8.0928   40.020   10.477   48.789   12.742   76.350   10.127   84.181   11.170 -7.831306 15.07681 
1 1 1    6   19    3 o  100.334   10.136   72.462   13.089   81.765   17.521   60.715   19.689  108.857   11.877   91.811   16.428 17.04642 20.27210 
1 1 1    6   19    4 o   80.144   9.7719   42.940   10.067   64.773   16.201   29.207   12.849   96.808   12.349   63.479   15.148 33.32951 19.54371 
1 1 1    6   19    5 o  169.384   5.3916  196.231   12.312  199.381   16.669  192.450   18.265  170.953   7.1952  167.814   8.0315 3.138641 10.78318 
1 1 1    6   19    6 o  231.398   5.2106  365.599   16.287  367.297   22.190  363.615   23.979  232.051   7.0566  230.746   7.6686 1.304947 10.42128 
1 1 1    6   19    7 o   73.441   8.4194   36.922   8.1278   32.279   10.579   43.612   12.698   67.404   12.023   79.478   11.790 -12.07450 16.83872 
1 1 1    6   19    8 o  149.762   5.5225  152.044   11.130  143.633   14.742  163.193   16.973  145.032   7.5010  154.492   8.1073 -9.459991 11.04506 
1 1 1    6   19    9 o  181.861   5.2587  227.349   12.872  246.964   17.759  205.641   18.683  190.280   6.8873  173.441   7.9488 16.83867 10.51750 
1 1 1    6   19   10 f   75.941   7.8729   39.483   8.0465   37.451   10.667   42.165   12.257   73.744   10.674   78.137   11.576 -4.392738 15.74579 
1 1 1    6   19   11 o  130.639   5.7883  117.280   10.157  121.030   13.625  112.589   15.238  133.094   7.5540  128.184   8.7723 4.909973 11.57656 
1 1 1    6   19   12 o  109.634   7.2226   75.395   8.6328   70.869   9.5520   95.575   20.169  101.906   6.9169  117.361   12.681 -15.45513 14.44514 
1 1 1    6   19   13 o   93.384   9.1483   65.678   9.3610   69.975   10.865   53.299   18.441  101.138   7.9274   85.629   16.490 15.50819 18.29661 
1 1 1    6   19   14 o  182.449   6.5645  232.102   14.485  236.618   17.107  220.665   27.226  186.201   6.7796  178.696   11.243 7.505295 13.12905 
1 1 1    6   19   15 o  117.678   7.4300   96.104   10.366   96.773   12.068   94.220   20.246  118.972   7.4853  116.384   12.837 2.587814 14.86001 
1 1 1    6   19   16 o   64.260   10.428   27.227   7.9236   24.299   9.0942   36.457   16.145   58.193   11.933   70.327   17.105 -12.13391 20.85593 
1 1 1    6   19   17 f   61.128   10.107   26.961   7.0840   27.381   7.9442   25.332   15.652   63.106   9.2896   59.150   17.954 3.956226 20.21469 
1 1 1    6   19   18 o  147.049   6.5599  153.091   10.629  156.457   12.031  141.124   22.683  151.499   5.8603  142.598   11.738 8.901489 13.11980 
1 1 1    6   19   19 f  147.656   6.8857  165.628   10.914  177.876   12.440  124.705   22.739  161.551   5.6824  133.761   12.544 27.78952 13.77146 
1 1 1    6   19   20 o   73.831   9.7628   42.055   7.5951   44.283   8.5440   33.662   16.582   80.379   7.8440   67.282   17.881 13.09691 19.52560 
1 1 1    6   19   21 o   67.582   9.3384   27.481   7.1462   22.765   8.0408   45.205   15.589   56.410   10.913   78.755   15.157 -22.34563 18.67683 
1 1 1    6   19   22 o  124.693   6.9496  110.362   9.5581  112.664   10.823  102.206   20.373  128.446   6.2180  120.940   12.431 7.506279 13.89922 
1 1 1    6   19   23 o   87.789   7.6376   45.160   7.8291   38.280   8.7952   71.417   17.182   74.572   8.7034  101.006   12.553 -26.43350 15.27512 
1 1 1    6   19   24 o  189.944   6.1381  241.041   13.059  235.427   14.705  261.997   28.410  185.710   5.8430  194.178   10.796 -8.468338 12.27613 
1 1 1    6   19   25 o   81.680   8.0130   45.867   8.8694   45.867   8.8694   0.0000   0.0000   81.680   8.0130  ?   ?       ?      ? 
1 1 1    6   19   26 o  158.079   5.8744  170.708   12.584  170.708   12.584   0.0000   0.0000  158.079   5.8744  ?   ?       ?      ? 
1 1 1    6   19   27 o  152.317   6.3552  159.902   10.782  159.562   12.179  161.133   23.184  152.802   5.8819  151.833   11.268 0.9688568 12.71042 
1 1 1    6   19   28 o   55.333   9.9161   23.960   6.8007   26.060   7.6592   16.135   14.783   61.344   9.2137   49.322   17.562 12.02179 19.83222 
1 1 1    6   19   29 o   67.223   9.3015   46.622   7.4531   58.118   8.4573   6.6529   15.770   92.039   6.7807   42.407   17.323 49.63275 18.60302 
1 1 1    6   19   30 o   93.404   7.7080   61.159   7.8799   61.198   8.8582   61.011   17.249   94.391   6.9252   92.417   13.773 1.974464 15.41609 
1 1 1    6   19   31 o   63.454   10.673   32.985   8.7900   38.080   10.348   19.782   16.658   73.790   10.348   53.118   18.670 20.67204 21.34644 
1 1 1    6   19   32 o  118.783   6.4388   96.853   10.364   96.853   10.364   0.0000   0.0000  118.783   6.4388  ?   ?       ?      ? 
1 1 1    6   19   33 o   60.092   9.7391   27.434   6.8518   28.448   7.7828   23.940   14.447   63.945   8.9814   56.239   17.284 7.706184 19.47817 
1 1 1    6   19   34 o   52.621   9.3921   23.322   6.6822   27.648   7.6580   9.5179   13.679   62.999   8.9701   42.242   16.504 20.75712 18.78419 
1 1 1    6   19   35 o  106.300   7.0693   84.411   8.4500   89.264   9.7553   69.830   16.910  113.945   6.3178   98.656   12.649 15.28905 14.13860 
1 1 1    6   19   36 f   61.806   8.8722   21.824   6.6144   15.110   7.5328   44.432   13.823   45.164   12.075   78.448   13.002 -33.28479 17.74443 
1 1 1    6   19   37 o   49.070   9.9421   18.258   6.4867   18.990   7.5143   16.118   12.851   50.746   11.225   47.395   16.413 3.351624 19.88425 
1 1 1    6   19   38 o   48.731   9.5228   18.735   7.8335   29.636   9.8398  -0.1311   12.944   63.363   11.896   34.099   14.873 29.26414 19.04560 
1 1 1    6   19   39 o   32.417   9.7177   2.0883   7.1934   2.1215   9.0528   2.0314   11.848   30.681   12.881   34.153   14.554 -3.472221 19.43535 
1 1 1    6   19   40 f   54.488   10.451   23.586   7.8604   25.971   9.8038   19.292   13.153   58.720   12.691   50.256   16.610 8.464088 20.90299 
1 1 1    6   19   41 o   80.123   9.4871   52.163   9.1132   61.897   11.462   35.430   15.027   93.666   9.0298   66.579   16.688 27.08736 18.97418 
1 1 1    6   19   42 o   34.767   9.8474   5.5096   7.2342   9.1490   9.1073  -0.7132   11.909   37.429   13.722   32.106   14.127 5.323826 19.69475 
1 1 1    6   19   43 f   39.863   10.570   10.249   7.5185   9.9506   9.4235   10.773   12.471   38.447   13.979   41.280   15.859 -2.833050 21.14075 
1 1 1    6   19   44 o   37.561   10.152   8.5301   7.4241   12.165   9.3314   2.2601   12.255   40.841   13.995   34.282   14.710 6.558952 20.30370 
1 1 1    6   19   45 o   84.908   9.9396   51.802   11.437   51.802   11.437   0.0000   0.0000   84.908   9.9396  ?   ?       ?      ? 
1 1 1    6   19   46 o   95.285   9.0502   64.728   11.686   64.728   11.686   0.0000   0.0000   95.285   9.0502  ?   ?       ?      ? 
1 1 1    6   19   47 o   78.009   10.310   44.133   10.899   44.133   10.899   0.0000   0.0000   78.009   10.310  ?   ?       ?      ? 
1 1 1    6   19   48 o   53.223   13.900   22.499   10.135   22.499   10.135   0.0000   0.0000   53.223   13.900  ?   ?       ?      ? 
1 1 1    6   19   49 o   70.551   10.995   36.620   10.512   36.620   10.512   0.0000   0.0000   70.551   10.995  ?   ?       ?      ? 
1 1 1    6   19   50 o   59.928   12.684   27.961   9.9796   27.961   9.9796   0.0000   0.0000   59.928   12.684  ?   ?       ?      ? 
1 1 1    6   19   51 o   67.048   10.884   33.198   9.8889   33.198   9.8889   0.0000   0.0000   67.048   10.884  ?   ?       ?      ? 
1 1 1    6   19   52 o   51.888   13.272   21.481   9.3698   21.481   9.3698   0.0000   0.0000   51.888   13.272  ?   ?       ?      ? 
1 1 1    6   19   53 o   33.445   14.282   3.4338   11.453   3.4338   11.453   0.0000   0.0000   33.445   14.282  ?   ?       ?      ? 
1 1 1    6   19   54 o   39.752   15.406   11.030   11.845   11.030   11.845   0.0000   0.0000   39.752   15.406  ?   ?       ?      ? 
1 1 1    6   19   55 o   36.249   14.764   7.4757   11.412   7.4757   11.412   0.0000   0.0000   36.249   14.764  ?   ?       ?      ? 
1 1 1    6   19   56 f   40.013   13.824   12.604   9.1129   12.604   9.1129   0.0000   0.0000   40.013   13.824  ?   ?       ?      ? 
1 1 1    6   19   57 o   39.669   13.491   12.523   8.6707   12.523   8.6707   0.0000   0.0000   39.669   13.491  ?   ?       ?      ? 
1 1 1    6   19   58 o   43.772   13.648   15.950   8.9711   15.950   8.9711   0.0000   0.0000   43.772   13.648  ?   ?       ?      ? 
1 1 1    6   19   59 o   37.231   13.253   10.896   8.4189   10.896   8.4189   0.0000   0.0000   37.231   13.253  ?   ?       ?      ? 
1 1 1    6   19   60 o   63.265   11.649   32.010   9.6192   32.010   9.6192   0.0000   0.0000   63.265   11.649  ?   ?       ?      ? 
1 1 1    6   20    0 o  116.510   7.5169   88.004   11.449  119.155   19.599   71.864   14.107  131.064   11.035  101.955   10.210 29.10899 15.03384 
1 1 1    6   20    1 o  128.965   7.2260  111.004   12.202  130.451   20.650  100.571   15.125  137.105   11.114  120.825   9.2378 16.27988 14.45204 
1 1 1    6   20    2 o  115.096   7.8649   83.060   11.591  122.332   21.045   65.958   13.888  132.585   11.713   97.608   10.499 34.97687 15.72988 
1 1 1    6   20    3 o   95.243   8.3273   65.090   10.341   54.263   16.134   72.641   13.472   87.900   13.545  102.587   9.6911 -14.68748 16.65451 
1 1 1    6   20    4 o  104.150   7.5736   73.588   10.530   84.529   16.735   66.417   13.549  110.313   11.195   97.986   10.203 12.32646 15.14722 
1 1 1    6   20    5 o  122.593   6.9925  101.571   11.384  115.169   18.412   93.155   14.485  128.927   10.538  116.260   9.1938 12.66751 13.98495 
1 1 1    6   20    6 o  109.943   7.2722   82.238   10.624   90.913   17.089   76.774   13.564  114.412   11.022  105.473   9.4897 8.939186 14.54440 
1 1 1    6   20    7 o   60.369   10.022   26.492   8.0417   24.019   10.867   29.485   11.956   57.269   14.098   63.469   14.250 -6.200123 20.04495 
1 1 1    6   20    8 o   51.646   10.446   19.190   7.6175   17.716   10.042   21.188   11.691   49.453   14.223   53.840   15.302 -4.386841 20.89103 
1 1 1    6   20    9 o   95.160   6.9156   63.431   8.7957   70.432   11.980   55.242   12.955  101.125   8.7420   89.195   10.718 11.92970 13.83129 
1 1 1    6   20   10 o   54.671   10.064   21.400   7.5773   16.558   10.114   27.594   11.439   47.989   14.403   61.354   14.060 -13.36418 20.12743 
1 1 1    6   20   11 o   38.696   10.878   6.7564   8.1244   8.9168   9.5239   0.9827   15.569   38.610   14.051   38.783   16.609 -0.1726952 21.75538 
1 1 1    6   20   12 o   33.754   9.2934   4.9317   6.4971   9.9537   7.2299 -16.1443   14.811   38.084   12.299   29.424   13.936 8.659836 18.58683 
1 1 1    6   20   13 o   63.115   10.255   26.413   7.1236   24.926   7.8783   33.078   16.678   59.995   9.6902   66.235   18.077 -6.239548 20.51027 
1 1 1    6   20   14 o  156.045   6.5425  166.239   11.183  164.742   12.534  172.077   24.759  155.268   5.9571  156.823   11.650 -1.555710 13.08495 
1 1 1    6   20   15 o   89.702   9.3307   65.182   8.2859   70.479   9.3483   45.768   17.896  101.412   6.8024   77.992   17.377 23.41930 18.66136 
1 1 1    6   20   16 o   98.720   7.5075   64.274   8.1892   61.751   9.1474   74.461   18.380   94.858   7.1161  102.581   13.222 -7.723488 15.01492 
1 1 1    6   20   17 o   91.220   7.2903   57.163   9.0120   57.163   9.0120   0.0000   0.0000   91.220   7.2903  ?   ?       ?      ? 
1 1 1    6   20   18 o   89.802   7.2194   55.408   8.7856   55.408   8.7856   0.0000   0.0000   89.802   7.2194  ?   ?       ?      ? 
1 1 1    6   20   19 o  100.798   6.7472   69.714   9.2163   69.714   9.2163   0.0000   0.0000  100.798   6.7472  ?   ?       ?      ? 
1 1 1    6   20   20 o   40.713   10.483   9.5801   6.4644   9.0128   7.2757   11.707   14.087   36.653   12.358   44.773   16.938 -8.119537 20.96691 
1 1 1    6   20   21 o   93.111   7.2761   51.685   7.7340   45.145   8.6248   78.531   17.474   80.885   7.8687  105.337   12.241 -24.45181 14.55220 
1 1 1    6   20   22 o   52.734   10.164   21.183   6.6739   22.209   7.5003   17.280   14.625   55.527   10.348   49.941   17.498 5.586395 20.32865 
1 1 1    6   20   23 o   65.222   9.8546   33.303   7.0872   34.971   7.9572   26.901   15.588   71.071   8.2620   59.373   17.894 11.69746 19.70917 
1 1 1    6   20   24 o   47.379   9.9524   17.741   6.5389   20.150   7.3188   8.2114   14.558   52.694   10.616   42.064   16.837 10.62968 19.90480 
1 1 1    6   20   25 o   62.314   9.6882   28.670   6.8715   28.884   7.7658   27.896   14.750   64.418   8.8960   60.209   17.214 4.208809 19.37640 
1 1 1    6   20   26 o   46.697   10.231   13.788   6.2205   11.606   7.0501   21.459   13.217   40.044   12.026   53.349   16.554 -13.30538 20.46152 
1 1 1    6   20   27 o   60.070   9.3403   33.407   6.9055   39.934   7.8609   11.342   14.453   75.947   7.6379   44.194   17.048 31.75366 18.68054 
1 1 1    6   20   28 o   70.822   9.4127   42.709   7.2654   47.991   8.3634   26.462   14.668   83.275   7.4112   58.369   17.305 24.90556 18.82545 
1 1 1    6   20   29 o   59.214   9.6174   23.414   6.6129   20.638   7.5089   33.009   13.959   53.086   10.805   65.341   15.913 -12.25515 19.23482 
1 1 1    6   20   30 o   35.888   9.7361   4.8031   5.9497   1.9536   6.8433   13.627   12.042   27.333   11.314   44.442   15.848 -17.10918 19.47226 
1 1 1    6   20   31 o  100.346   7.2401   73.167   8.1849   74.789   9.3635   67.915   16.852  104.051   6.6406   96.641   12.868 7.410545 14.48021 
1 1 1    6   20   32 o   45.572   10.456   11.560   7.3271   5.0891   8.7684   26.537   13.339   33.036   13.118   58.108   16.286 -25.07166 20.91204 
1 1 1    6   20   33 o   76.281   8.8576   41.636   8.5266   38.771   10.467   47.286   14.700   73.714   10.479   78.847   14.284 -5.133293 17.71519 
1 1 1    6   20   34 o   54.312   10.445   21.281   7.5812   17.219   9.2661   29.505   13.185   47.503   13.663   61.121   15.802 -13.61821 20.88984 
1 1 1    6   20   35 o   87.223   8.9043   58.812   9.3399   63.872   11.516   49.088   15.965   95.106   8.9355   79.339   15.405 15.76681 17.80863 
1 1 1    6   20   36 o   82.141   9.2248   52.006   9.2774   55.397   11.502   45.692   15.694   88.198   9.6237   76.084   15.741 12.11343 18.44970 
1 1 1    6   20   37 o  115.896   8.3636   94.663   13.135   94.663   13.135   0.0000   0.0000  115.896   8.3636  ?   ?       ?      ? 
1 1 1    6   20   38 o   39.045   14.041   10.584   9.4721   10.584   9.4721   0.0000   0.0000   39.045   14.041  ?   ?       ?      ? 
1 1 1    6   20   39 o   47.749   10.658   18.258   7.7448   20.528   9.6106   14.053   13.080   51.243   13.610   44.255   16.407 6.988342 21.31685 
1 1 1    6   20   40 o   53.548   13.359   22.402   9.6620   22.402   9.6620   0.0000   0.0000   53.548   13.359  ?   ?       ?      ? 
1 1 1    6   20   41 o   88.882   9.2753   56.577   11.172   56.577   11.172   0.0000   0.0000   88.882   9.2753  ?   ?       ?      ? 
1 1 1    6   20   42 o   33.492   13.345   5.8385   9.1039   5.8385   9.1039   0.0000   0.0000   33.492   13.345  ?   ?       ?      ? 
1 1 1    6   20   43 o   73.547   10.422   39.457   10.388   39.457   10.388   0.0000   0.0000   73.547   10.422  ?   ?       ?      ? 
1 1 1    6   20   44 o   39.469   13.554   11.628   8.7542   11.628   8.7542   0.0000   0.0000   39.469   13.554  ?   ?       ?      ? 
1 1 1    6   20   45 o   39.733   13.622   11.884   8.8414   11.884   8.8414   0.0000   0.0000   39.733   13.622  ?   ?       ?      ? 
1 1 1    6   20   46 o   39.776   14.019   11.829   9.3970   11.829   9.3970   0.0000   0.0000   39.776   14.019  ?   ?       ?      ? 
1 1 1    6   20   47 o   41.674   15.925   12.524   12.532   12.524   12.532   0.0000   0.0000   41.674   15.925  ?   ?       ?      ? 
1 1 1    6   20   48 o   31.925   14.110   0.3377   12.005   0.3377   12.005   0.0000   0.0000   31.925   14.110  ?   ?       ?      ? 
1 1 1    6   20   49 o   21.559   10.560 -17.2275   10.407 -17.2275   10.407   0.0000   0.0000   21.559   10.560  ?   ?       ?      ? 
1 1 1    6   20   50 o   65.122   10.753   31.692   9.4898   31.692   9.4898   0.0000   0.0000   65.122   10.753  ?   ?       ?      ? 
1 1 1    6   20   51 o   49.226   12.996   19.667   8.7967   19.667   8.7967   0.0000   0.0000   49.226   12.996  ?   ?       ?      ? 
1 1 1    6   20   52 o   24.180   10.980  -2.6184   7.8234  -2.6184   7.8234   0.0000   0.0000   24.180   10.980  ?   ?       ?      ? 
1 1 1    6   20   53 o   26.183   11.417   0.5859   7.6230   0.5859   7.6230   0.0000   0.0000   26.183   11.417  ?   ?       ?      ? 
1 1 1    6   20   54 o   39.765   13.109   12.889   8.1944   12.889   8.1944   0.0000   0.0000   39.765   13.109  ?   ?       ?      ? 
1 1 1    6   20   55 o   40.979   13.085   13.971   8.2019   13.971   8.2019   0.0000   0.0000   40.979   13.085  ?   ?       ?      ? 
1 1 1    6   20   56 o   25.275   11.215  -0.1985   7.6565  -0.1985   7.6565   0.0000   0.0000   25.275   11.215  ?   ?       ?      ? 
1 1 1    6   21    0 o   44.541   10.045   13.310   6.7345   10.152   8.5367   18.515   10.959   38.975   13.384   50.107   14.981 -11.13177 20.08907 
1 1 1    6   21    1 o   36.778   9.8798   7.2403   6.6607   6.4047   8.5194   8.5542   10.683   34.579   13.150   38.978   14.749 -4.398640 19.75963 
1 1 1    6   21    2 o   28.292   8.8361  -2.1331   6.4703  -3.0906   8.2446  -0.5979   10.440   25.662   11.495   30.921   13.423 -5.258783 17.67228 
1 1 1    6   21    3 o   50.907   9.7802   19.617   6.9135   21.830   8.8242   16.098   11.125   54.516   12.244   47.298   15.254 7.217651 19.56030 
1 1 1    6   21    4 o   37.315   9.8006   5.9133   6.7835   0.5216   8.6300   14.631   10.974   29.064   12.404   45.566   15.177 -16.50131 19.60118 
1 1 1    6   21    5 f  121.298   5.8038  100.588   9.4647   92.535   12.467  111.544   14.541  115.714   7.9505  126.881   8.4572 -11.16709 11.60752 
1 1 1    6   21    6 o   32.979   9.5222   3.6774   6.6302   4.0784   8.5161   3.0604   10.565   32.112   12.869   33.846   14.038 -1.734486 19.04445 
1 1 1    6   21    7 o   30.031   9.6639  -4.2750   7.2127  -4.7182   8.2062  -2.7699   15.122   24.465   11.162   35.597   15.779 -11.13190 19.32775 
1 1 1    6   21    8 o   30.072   9.4129  -1.1556   7.0573   1.8889   8.0960 -10.7892   14.401   29.404   12.250   30.740   14.295 -1.336346 18.82572 
1 1 1    6   21    9 o   52.959   11.313   18.363   7.9274   15.081   9.1571   28.179   15.838   45.414   13.721   60.505   17.992 -15.09106 22.62679 
1 1 1    6   21   10 o   64.987   11.979   31.727   10.626   26.129   13.974   39.399   16.360   58.470   16.767   71.503   17.112 -13.03318 23.95775 
1 1 1    6   21   11 o   31.565   9.5646   1.1844   7.0586   5.0478   8.0332 -11.9031   14.785   32.426   12.653   30.704   14.346 1.722052 19.12923 
1 1 1    6   21   12 o   58.907   10.367   28.585   7.9417   32.443   9.1446   16.749   16.019   68.023   9.9203   49.791   18.207 18.23232 20.73429 
1 1 1    6   21   13 o   43.774   10.173   14.220   7.6199   19.705   8.9094  -0.7210   14.705   51.453   12.823   36.095   15.795 15.35802 20.34529 
1 1 1    6   21   14 o  103.621   7.9639   77.615   9.8045   79.402   11.500   72.857   18.761  107.017   7.9296  100.224   13.814 6.793495 15.92775 
1 1 1    6   21   15 o   56.795   10.782   25.469   7.9812   27.264   9.2630   20.297   15.725   61.009   11.628   52.581   18.159 8.428650 21.56319 
1 1 1    6   21   16 o   74.500   9.5650   39.567   8.4559   37.923   9.9035   43.991   16.244   73.415   9.9545   75.584   16.336 -2.168915 19.12996 
1 1 1    6   21   17 f   83.810   9.2733   52.351   9.0315   53.534   10.658   49.336   17.011   87.491   8.9890   80.129   16.223 7.362526 18.54663 
1 1 1    6   21   18 o  116.430   6.7763   87.608   8.9488   81.753   10.046  110.108   19.694  108.816   6.8125  124.044   11.716 -15.22717 13.55267 
1 1 1    6   21   19 o   55.380   10.133   18.399   6.6132   14.102   7.4144   35.119   14.626   43.594   12.115   67.166   16.246 -23.57237 20.26603 
1 1 1    6   21   20 o   48.977   10.448   13.704   6.3796   10.090   7.1108   28.616   14.444   37.664   12.201   60.291   16.964 -22.62726 20.89567 
1 1 1    6   21   21 o   44.279   10.152   14.249   6.2627   14.781   7.0405   12.232   13.707   44.572   11.559   43.987   16.691 0.5853157 20.30301 
1 1 1    6   21   22 o   44.894   10.053   15.451   6.3100   16.894   7.0162   9.3462   14.431   47.727   11.064   42.062   16.789 5.665646 20.10690 
1 1 1    6   21   23 o   30.782   9.0135   3.2543   5.9220   6.2453   6.6630  -7.9939   12.921   31.970   11.735   29.595   13.685 2.375059 18.02698 
1 1 1    6   21   24 o   77.857   7.8927   38.353   7.1012   34.095   7.9839   54.480   15.537   69.724   8.4499   85.990   13.333 -16.26684 15.78539 
1 1 1    6   21   25 o   95.341   7.9539   66.908   9.3400   69.187   11.249   61.848   16.760   99.302   8.3590   91.381   13.535 7.921440 15.90789 
1 1 1    6   21   26 o   48.460   11.008   16.108   7.5248   13.127   8.8249   24.048   14.404   42.084   13.587   54.835   17.323 -12.75136 22.01576 
1 1 1    6   21   27 o   38.648   10.382   9.1645   7.0616   9.1696   8.4034   9.1524   13.027   36.916   13.231   40.381   16.004 -3.464806 20.76459 
1 1 1    6   21   28 o   44.308   10.206   9.7421   7.1768   2.2298   8.5413   27.783   13.236   29.814   12.514   58.802   16.127 -28.98795 20.41250 
1 1 1    6   21   29 o   53.717   10.526   19.529   7.5978   13.371   9.0630   34.093   13.937   42.254   13.779   65.181   15.917 -22.92716 21.05244 
1 1 1    6   21   30 o   47.656   10.828   17.425   7.5858   17.206   9.1391   17.909   13.602   47.127   13.573   48.185   16.875 -1.058125 21.65595 
1 1 1    6   21   31 o   37.020   10.025   8.3694   7.2200   11.818   8.8289   1.4066   12.545   40.121   13.613   33.919   14.719 6.202106 20.04958 
1 1 1    6   21   32 o   56.152   10.521   26.038   8.0411   28.532   9.8870   21.166   13.820   61.141   12.358   51.162   17.032 9.979328 21.04274 
1 1 1    6   21   33 o   39.944   10.971   8.3066   9.1146   17.202   12.816  -0.7955   12.965   46.996   16.385   32.892   14.594 14.10420 21.94161 
1 1 1    6   21   34 o   48.264   17.397   18.310   14.549   18.310   14.549   0.0000   0.0000   48.264   17.397  ?   ?       ?      ? 
1 1 1    6   21   35 o   40.579   16.139   10.086   13.291   10.086   13.291   0.0000   0.0000   40.579   16.139  ?   ?       ?      ? 
1 1 1    6   21   36 o   37.313   15.565   6.1160   13.095   6.1160   13.095   0.0000   0.0000   37.313   15.565  ?   ?       ?      ? 
1 1 1    6   21   37 o   56.831   16.753   27.263   13.779   27.263   13.779   0.0000   0.0000   56.831   16.753  ?   ?       ?      ? 
1 1 1    6   21   38 f   33.337   14.549   1.4662   12.404   1.4662   12.404   0.0000   0.0000   33.337   14.549  ?   ?       ?      ? 
1 1 1    6   21   39 o   47.969   16.439   18.836   12.876   18.836   12.876   0.0000   0.0000   47.969   16.439  ?   ?       ?      ? 
1 1 1    6   21   40 o   52.813   16.538   23.658   13.157   23.658   13.157   0.0000   0.0000   52.813   16.538  ?   ?       ?      ? 
1 1 1    6   21   41 o   49.118   13.568   19.412   9.3301   19.412   9.3301   0.0000   0.0000   49.118   13.568  ?   ?       ?      ? 
1 1 1    6   21   42 o   39.500   13.548   11.938   8.7452   11.938   8.7452   0.0000   0.0000   39.500   13.548  ?   ?       ?      ? 
1 1 1    6   21   43 o   48.432   13.079   18.857   8.7850   18.857   8.7850   0.0000   0.0000   48.432   13.079  ?   ?       ?      ? 
1 1 1    6   21   44 o   30.194   12.257   4.3843   7.8326   4.3843   7.8326   0.0000   0.0000   30.194   12.257  ?   ?       ?      ? 
1 1 1    6   21   45 o   30.631   12.369   4.7954   7.9309   4.7954   7.9309   0.0000   0.0000   30.631   12.369  ?   ?       ?      ? 
1 1 1    6   21   46 f   32.247   12.675   6.2953   8.1084   6.2953   8.1084   0.0000   0.0000   32.247   12.675  ?   ?       ?      ? 
1 1 1    6   21   47 o   37.176   13.132   10.645   8.2506   10.645   8.2506   0.0000   0.0000   37.176   13.132  ?   ?       ?      ? 
1 1 1    6   21   48 o   22.150   10.327  -5.0481   7.5950  -5.0481   7.5950   0.0000   0.0000   22.150   10.327  ?   ?       ?      ? 
1 1 1    6   21   49 o   23.052   10.587  -3.3592   7.5507  -3.3592   7.5507   0.0000   0.0000   23.052   10.587  ?   ?       ?      ? 
1 1 1    6   21   50 o   28.754   12.002   3.5976   7.7920   3.5976   7.7920   0.0000   0.0000   28.754   12.002  ?   ?       ?      ? 
1 1 1    6   21   51 o   26.118   11.474   0.6337   7.8265   0.6337   7.8265   0.0000   0.0000   26.118   11.474  ?   ?       ?      ? 
1 1 1    6   22    0 o   30.297   8.9678   0.9834   6.0446  -2.0286   7.5621   6.3129   10.059   24.976   11.110   35.619   14.080 -10.64305 17.93570 
1 1 1    6   22    1 o   53.872   9.4437   22.316   6.7611   23.502   8.6019   20.398   10.936   56.241   11.669   51.503   14.852 4.738232 18.88743 
1 1 1    6   22    2 o   88.765   6.7561   56.777   7.8912   61.677   10.322   49.888   12.241   93.975   8.1056   83.554   10.811 10.42173 13.51220 
1 1 1    6   22    3 o   52.143   9.5004   18.740   6.8863   11.233   8.6906   31.405   11.288   39.842   13.506   64.445   13.364 -24.60307 19.00079 
1 1 1    6   22    4 o   43.138   11.077   9.8842   7.2506   6.8329   8.2150   20.639   15.423   34.247   12.939   52.028   17.983 -17.78124 22.15450 
1 1 1    6   22    5 o   56.268   10.995   22.719   7.6852   20.792   8.7750   29.061   15.923   52.500   12.511   60.035   18.083 -7.534306 21.98927 
1 1 1    6   22    6 o   61.818   10.699   27.598   7.8699   25.571   8.9925   34.230   16.266   58.632   11.727   65.004   17.898 -6.371872 21.39829 
1 1 1    6   22    7 o   78.470   10.104   52.156   8.8018   58.240   10.274   35.368   17.066   91.181   8.3146   65.759   18.417 25.42123 20.20729 
1 1 1    6   22    8 o   35.297   9.4223   2.2598   6.5805  -5.1811   8.1163   16.536   11.242   23.743   10.931   46.851   15.350 -23.10741 18.84453 
1 1 1    6   22    9 o   40.038   9.8851   11.332   6.6426   13.421   8.3392   7.7041   10.987   42.443   13.146   37.632   14.766 4.810123 19.77028 
1 1 1    6   22   10 o   72.630   10.273   41.179   8.5720   42.232   9.8944   38.010   17.164   77.204   9.4573   68.056   18.240 9.148384 20.54597 
1 1 1    6   22   11 o   47.038   10.457   16.433   6.4237   16.719   7.0810   15.103   15.267   47.278   11.221   46.798   17.650 0.4800720 20.91465 
1 1 1    6   22   12 o   39.167   10.495   9.1053   6.1910   9.0431   6.7451   9.4381   15.597   35.748   11.898   42.587   17.293 -6.839180 20.99097 
1 1 1    6   22   13 o   45.568   9.0503   18.069   6.2910   22.262   6.9164  -2.0218   15.139   56.086   9.1000   35.050   15.647 21.03660 18.10056 
1 1 1    6   22   14 o   48.354   9.4298   19.723   6.1912   22.384   6.8450   7.7613   14.515   56.249   8.9800   40.460   16.585 15.78910 18.85970 
1 1 1    6   22   15 o   54.894   9.8303   24.636   6.5168   26.208   7.2509   18.030   14.863   60.897   8.7865   48.891   17.588 12.00640 19.66052 
1 1 1    6   22   16 o   78.462   9.8883   60.009   7.8469   69.617   8.9042   26.605   16.603  100.147   6.5611   56.776   18.656 43.37061 19.77656 
1 1 1    6   22   17 o   57.298   10.034   27.092   6.8845   28.773   7.6866   20.274   15.479   63.720   8.9017   50.876   17.986 12.84446 20.06826 
1 1 1    6   22   18 f   53.204   9.8148   24.726   7.9680   31.929   9.4408   6.8884   14.856   66.526   10.472   39.881   16.603 26.64503 19.62967 
1 1 1    6   22   19 o   61.759   10.217   31.948   8.0270   35.352   9.4576   23.180   15.179   70.173   9.9456   53.345   17.851 16.82749 20.43467 
1 1 1    6   22   20 o   46.971   10.493   17.888   7.4741   20.490   8.7976   11.140   14.169   51.564   12.679   42.377   16.724 9.186134 20.98663 
1 1 1    6   22   21 o   88.219   8.0995   51.678   8.8914   44.295   10.400   71.733   17.140   78.538   9.7718   97.900   12.920 -19.36153 16.19902 
1 1 1    6   22   22 o   56.844   10.623   21.551   7.7261   15.216   9.0065   39.202   15.034   44.371   13.648   69.317   16.282 -24.94556 21.24546 
1 1 1    6   22   23 o   41.341   10.697   11.076   7.1008   9.3649   8.2806   15.830   13.802   36.736   13.137   45.945   16.886 -9.208553 21.39398 
1 1 1    6   22   24 o   53.525   10.613   18.802   7.2682   13.569   8.3603   34.997   14.708   42.085   13.184   64.965   16.635 -22.87948 21.22566 
1 1 1    6   22   25 o   51.564   10.839   19.823   7.4787   17.356   8.7759   26.367   14.293   47.087   13.214   56.042   17.186 -8.954376 21.67885 
1 1 1    6   22   26 o   32.410   9.5494   3.9795   6.8456   6.7080   8.0934  -2.8794   12.832   33.400   12.789   31.421   14.184 1.978495 19.09871 
1 1 1    6   22   27 o   52.213   10.720   20.572   7.5528   17.551   9.0468   27.519   13.721   47.165   13.480   57.261   16.671 -10.09562 21.43919 
1 1 1    6   22   28 o   32.470   12.829   5.6765   8.3471   5.6765   8.3471   0.0000   0.0000   32.470   12.829  ?   ?       ?      ? 
1 1 1    6   22   29 o   56.606   12.244   24.808   9.1188   24.808   9.1188   0.0000   0.0000   56.606   12.244  ?   ?       ?      ? 
1 1 1    6   22   30 o   52.794   12.928   21.968   9.1755   21.968   9.1755   0.0000   0.0000   52.794   12.928  ?   ?       ?      ? 
1 1 1    6   22   31 o   61.258   11.758   28.781   9.4055   28.781   9.4055   0.0000   0.0000   61.258   11.758  ?   ?       ?      ? 
1 1 1    6   22   32 o   52.217   13.149   21.688   9.2990   21.688   9.2990   0.0000   0.0000   52.217   13.149  ?   ?       ?      ? 
1 1 1    6   22   33 o   56.770   12.701   25.377   9.5264   25.377   9.5264   0.0000   0.0000   56.770   12.701  ?   ?       ?      ? 
1 1 1    6   22   34 o   41.768   13.662   13.712   8.9070   13.712   8.9070   0.0000   0.0000   41.768   13.662  ?   ?       ?      ? 
1 1 1    6   22   35 o   24.102   11.029  -3.7107   8.0906  -3.7107   8.0906   0.0000   0.0000   24.102   11.029  ?   ?       ?      ? 
1 1 1    6   22   36 o   44.004   13.345   15.557   8.6501   15.557   8.6501   0.0000   0.0000   44.004   13.345  ?   ?       ?      ? 
1 1 1    6   22   37 o   43.093   13.344   14.940   8.5933   14.940   8.5933   0.0000   0.0000   43.093   13.344  ?   ?       ?      ? 
1 1 1    6   22   38 o   53.041   12.594   22.548   8.9173   22.548   8.9173   0.0000   0.0000   53.041   12.594  ?   ?       ?      ? 
1 1 1    6   22   39 o   32.255   12.766   6.1437   8.2783   6.1437   8.2783   0.0000   0.0000   32.255   12.766  ?   ?       ?      ? 
1 1 1    6   22   40 o   55.220   12.371   24.486   9.0277   24.486   9.0277   0.0000   0.0000   55.220   12.371  ?   ?       ?      ? 
1 1 1    6   22   41 o   38.998   13.585   12.122   8.8104   12.122   8.8104   0.0000   0.0000   38.998   13.585  ?   ?       ?      ? 
1 1 1    6   22   42 o   45.825   13.525   17.661   8.9768   17.661   8.9768   0.0000   0.0000   45.825   13.525  ?   ?       ?      ? 
1 1 1    6   22   43 o   35.901   14.797   8.0978   11.634   8.0978   11.634   0.0000   0.0000   35.901   14.797  ?   ?       ?      ? 
1 1 1    6   22   44 o   44.531   16.093   17.908   12.461   17.908   12.461   0.0000   0.0000   44.531   16.093  ?   ?       ?      ? 
1 1 1    6   22   45 o   38.038   15.176   11.210   11.785   11.210   11.785   0.0000   0.0000   38.038   15.176  ?   ?       ?      ? 
1 1 1    6   22   46 o   20.638   10.160 -16.5796   10.028 -16.5796   10.028   0.0000   0.0000   20.638   10.160  ?   ?       ?      ? 
1 1 1    6   23    0 o   45.522   9.8947   15.034   6.6417   10.897   8.4141   21.873   10.818   38.697   13.288   52.347   14.665 -13.65024 19.78933 
1 1 1    6   23    1 o   26.453   8.3456  -3.6280   5.9188  -7.3495   7.3919   3.0206   9.8802   20.963   9.9035   31.943   13.436 -10.98015 16.69124 
1 1 1    6   23    2 o   48.544   9.2755   19.259   6.5831   24.696   8.4904   11.064   10.424   57.208   11.353   39.879   14.672 17.32873 18.55091 
1 1 1    6   23    3 o   47.239   9.0515   18.169   6.6853   26.443   8.6810   6.1120   10.480   59.305   11.213   35.174   14.213 24.13153 18.10308 
1 1 1    6   23    4 o   46.036   9.3305   17.077   6.8523   24.556   8.8573   5.9269   10.814   56.754   11.897   35.317   14.377 21.43744 18.66102 
1 1 1    6   23    5 o   43.521   9.7389   14.918   6.6091   17.923   8.4185   10.091   10.670   48.041   12.728   39.002   14.744 9.039124 19.47782 
1 1 1    6   23    6 o   42.648   9.6185   14.303   6.5686   18.104   8.2881   7.8813   10.771   48.329   12.545   36.967   14.584 11.36219 19.23706 
1 1 1    6   23    7 o  115.013   6.1024   96.071   9.2616  106.600   12.287   82.218   14.094  123.214   7.3588  106.813   9.7369 16.40051 12.20486 
1 1 1    6   23    8 o   36.751   10.182   6.8710   7.6388   13.031   11.128   1.3825   10.504   42.144   15.211   31.358   13.538 10.78652 20.36350 
1 1 1    6   23    9 o   38.097   10.386   9.1935   7.5915   8.3450   10.949   9.9790   10.535   37.467   14.728   38.727   14.648 -1.259628 20.77207 
1 1 1    6   23   10 o   43.118   10.868   13.525   7.3517   13.392   8.4866   13.924   14.716   41.788   13.307   44.448   17.186 -2.659893 21.73590 
1 1 1    6   23   11 o   61.172   10.523   30.445   8.0101   31.378   9.2527   27.653   16.003   65.635   10.403   56.708   18.296 8.926334 21.04650 
1 1 1    6   23   12 o   39.770   10.600   8.2476   6.8822   5.0495   7.8813   18.517   14.123   31.373   12.444   48.167   17.164 -16.79395 21.19988 
1 1 1    6   23   13 o   31.792   9.7163   1.8910   6.5413   1.2711   7.4255   4.0384   13.821   27.068   11.528   36.515   15.644 -9.446815 19.43267 
1 1 1    6   23   14 o   40.144   10.200   4.3052   6.8299  -2.3393   7.8018   26.103   14.131   24.751   11.127   55.538   17.098 -30.78652 20.39961 
1 1 1    6   23   15 o   34.245   10.018   5.2254   6.8609   5.3881   7.9351   4.7433   13.656   31.732   12.518   36.758   15.644 -5.026194 20.03530 
1 1 1    6   23   16 o   32.625   9.5959   4.4522   6.7279   6.7264   7.8026  -2.1403   13.284   33.052   12.581   32.197   14.493 0.8548203 19.19174 
1 1 1    6   23   17 o   35.054   10.045   6.1995   6.6812   5.8640   7.7212   7.1994   13.330   31.985   12.426   38.122   15.787 -6.137379 20.09057 
1 1 1    6   23   18 o   32.773   9.3034   5.3031   6.5287   9.2093   7.5935  -5.7691   12.784   35.861   12.606   29.685   13.686 6.176283 18.60672 
1 1 1    6   23   19 o   34.819   10.114   3.3442   6.5216   0.4752   7.3743   13.643   13.972   26.197   11.327   43.442   16.760 -17.24417 20.22894 
1 1 1    6   23   20 o   30.408   12.312   4.2714   7.8820   4.2714   7.8820   0.0000   0.0000   30.408   12.312  ?   ?       ?      ? 
1 1 1    6   23   21 o   44.239   12.934   15.443   8.2435   15.443   8.2435   0.0000   0.0000   44.239   12.934  ?   ?       ?      ? 
1 1 1    6   23   22 o   38.643   12.920   11.336   7.9507   11.336   7.9507   0.0000   0.0000   38.643   12.920  ?   ?       ?      ? 
1 1 1    6   23   23 o   58.544   11.255   26.214   8.6048   26.214   8.6048   0.0000   0.0000   58.544   11.255  ?   ?       ?      ? 
1 1 1    6   23   24 o   46.827   12.777   17.434   8.3335   17.434   8.3335   0.0000   0.0000   46.827   12.777  ?   ?       ?      ? 
1 1 1    6   23   25 o   40.432   13.323   12.749   8.4644   12.749   8.4644   0.0000   0.0000   40.432   13.323  ?   ?       ?      ? 
1 1 1    6   23   26 o   30.753   12.521   4.4575   8.2048   4.4575   8.2048   0.0000   0.0000   30.753   12.521  ?   ?       ?      ? 
1 1 1    6   23   27 o   38.069   13.324   10.967   8.4793   10.967   8.4793   0.0000   0.0000   38.069   13.324  ?   ?       ?      ? 
1 1 1    6   23   28 o   44.291   13.475   15.897   8.8093   15.897   8.8093   0.0000   0.0000   44.291   13.475  ?   ?       ?      ? 
1 1 1    6   23   29 o   22.966   10.641  -4.7641   7.8726  -4.7641   7.8726   0.0000   0.0000   22.966   10.641  ?   ?       ?      ? 
1 1 1    6   23   30 o   36.968   13.215   10.280   8.3789   10.280   8.3789   0.0000   0.0000   36.968   13.215  ?   ?       ?      ? 
1 1 1    6   23   31 o   37.245   13.212   10.592   8.3594   10.592   8.3594   0.0000   0.0000   37.245   13.212  ?   ?       ?      ? 
1 1 1    6   23   32 o   33.384   12.810   7.4467   8.1296   7.4467   8.1296   0.0000   0.0000   33.384   12.810  ?   ?       ?      ? 
1 1 1    6   23   33 o   32.170   12.651   6.4405   8.0820   6.4405   8.0820   0.0000   0.0000   32.170   12.651  ?   ?       ?      ? 
1 1 1    6   23   34 o   27.901   11.844   2.4530   7.7920   2.4530   7.7920   0.0000   0.0000   27.901   11.844  ?   ?       ?      ? 
1 1 1    6   23   35 o   25.546   11.318  -0.2777   7.7703  -0.2777   7.7703   0.0000   0.0000   25.546   11.318  ?   ?       ?      ? 
1 1 1    6   23   36 o   21.598   10.118  -5.2956   7.4333  -5.2956   7.4333   0.0000   0.0000   21.598   10.118  ?   ?       ?      ? 
1 1 1    6   23   37 o   42.677   13.108   15.431   8.3110   15.431   8.3110   0.0000   0.0000   42.677   13.108  ?   ?       ?      ? 
1 1 1    6   23   38 o   26.255   11.407   1.3059   7.5528   1.3059   7.5528   0.0000   0.0000   26.255   11.407  ?   ?       ?      ? 
1 1 1    6   23   39 o   31.519   12.578   6.4983   8.0971   6.4983   8.0971   0.0000   0.0000   31.519   12.578  ?   ?       ?      ? 
1 1 1    6   23   40 o   33.086   12.712   8.1692   8.0132   8.1692   8.0132   0.0000   0.0000   33.086   12.712  ?   ?       ?      ? 
1 1 1    6   24    0 o   39.913   14.412   11.893   9.9915   0.0000   0.0000   11.893   9.9915  ?   ?    39.913   14.412      ?      ? 
1 1 1    6   24    1 o   43.532   14.520   15.093   10.043   0.0000   0.0000   15.093   10.043  ?   ?    43.532   14.520      ?      ? 
1 1 1    6   24    2 f   26.049   11.882  -3.6412   9.2954   0.0000   0.0000  -3.6412   9.2954  ?   ?    26.049   11.882      ?      ? 
1 1 1    6   24    3 o   37.022   14.213   9.1296   10.011   0.0000   0.0000   9.1296   10.011  ?   ?    37.022   14.213      ?      ? 
1 1 1    6   24    4 o   27.639   8.9046  -3.5789   7.3016  -2.4840   10.981  -4.4465   9.7756   29.019   13.109   26.258   12.055 2.760801 17.80912 
1 1 1    6   24    5 o   36.157   9.6781   4.7904   7.3844   17.761   11.065  -5.6266   9.9158   46.519   15.228   25.795   11.949 20.72367 19.35613 
1 1 1    6   24    6 o   35.660   9.8926   4.6711   7.6108   15.815   11.396  -4.3012   10.226   44.366   15.451   26.954   12.358 17.41206 19.78515 
1 1 1    6   24    7 o   30.832   9.3359   1.5927   7.0695   5.9448   10.265  -2.3346   9.7508   34.205   13.975   27.459   12.383 6.746288 18.67184 
1 1 1    6   24    8 o   36.570   10.029   8.5130   7.1256   11.060   10.454   6.3031   9.7383   39.106   14.634   34.034   13.719 5.071976 20.05854 
1 1 1    6   24    9 o   33.057   9.3484   5.5303   6.7999   10.336   7.9025  -8.1780   13.346   37.160   12.871   28.954   13.561 8.206423 18.69673 
1 1 1    6   24   10 o   37.968   9.9717   10.636   6.7486   12.967   7.7136   3.0304   13.934   40.625   12.653   35.310   15.415 5.315823 19.94340 
1 1 1    6   24   11 f   22.368   10.188  -2.9596   6.8001  -2.9596   6.8001   0.0000   0.0000   22.368   10.188  ?   ?       ?      ? 
1 1 1    6   24   12 o   28.284   11.671   3.1535   7.2480   3.1535   7.2480   0.0000   0.0000   28.284   11.671  ?   ?       ?      ? 
1 1 1    6   24   13 f   48.262   12.216   18.495   7.9963   18.495   7.9963   0.0000   0.0000   48.262   12.216  ?   ?       ?      ? 
1 1 1    6   24   14 o   36.335   12.645   9.8868   7.6323   9.8868   7.6323   0.0000   0.0000   36.335   12.645  ?   ?       ?      ? 
1 1 1    6   24   15 o   33.734   12.591   7.7739   7.7291   7.7739   7.7291   0.0000   0.0000   33.734   12.591  ?   ?       ?      ? 
1 1 1    6   24   16 o   40.125   13.124   12.767   8.2191   12.767   8.2191   0.0000   0.0000   40.125   13.124  ?   ?       ?      ? 
1 1 1    6   24   17 o   46.665   12.882   17.671   8.4137   17.671   8.4137   0.0000   0.0000   46.665   12.882  ?   ?       ?      ? 
1 1 1    6   24   18 o   29.452   12.071   3.9683   7.6883   3.9683   7.6883   0.0000   0.0000   29.452   12.071  ?   ?       ?      ? 
1 1 1    6   24   19 o   35.019   12.783   8.9235   7.8907   8.9235   7.8907   0.0000   0.0000   35.019   12.783  ?   ?       ?      ? 
1 1 1    6   24   20 o   27.812   11.847   2.0941   7.8442   2.0941   7.8442   0.0000   0.0000   27.812   11.847  ?   ?       ?      ? 
1 1 1    6   24   21 o   34.258   12.915   8.2446   8.1729   8.2446   8.1729   0.0000   0.0000   34.258   12.915  ?   ?       ?      ? 
1 1 1    6   24   22 o   30.634   12.453   4.9338   8.0982   4.9338   8.0982   0.0000   0.0000   30.634   12.453  ?   ?       ?      ? 
1 1 1    6   24   23 o   18.018   8.8585 -13.5613   7.5406 -13.5613   7.5406   0.0000   0.0000   18.018   8.8585  ?   ?       ?      ? 
1 1 1    6   24   24 o   60.102   11.483   28.619   9.0114   28.619   9.0114   0.0000   0.0000   60.102   11.483  ?   ?       ?      ? 
1 1 1    6   24   25 o   33.929   12.776   8.3154   7.9922   8.3154   7.9922   0.0000   0.0000   33.929   12.776  ?   ?       ?      ? 
1 1 1    6   24   26 o   43.335   13.049   15.786   8.2928   15.786   8.2928   0.0000   0.0000   43.335   13.049  ?   ?       ?      ? 
1 1 1    6   24   27 o   45.036   13.106   17.205   8.4815   17.205   8.4815   0.0000   0.0000   45.036   13.106  ?   ?       ?      ? 
1 1 1    6   24   28 o   53.583   12.742   24.074   9.1167   24.074   9.1167   0.0000   0.0000   53.583   12.742  ?   ?       ?      ? 
1 1 1    6   24   29 o   25.901   11.428   0.4280   7.8436   0.4280   7.8436   0.0000   0.0000   25.901   11.428  ?   ?       ?      ? 
1 1 1    6   24   30 o   45.795   13.451   18.342   8.8973   18.342   8.8973   0.0000   0.0000   45.795   13.451  ?   ?       ?      ? 
1 1 1    6   24   31 o   50.630   13.007   22.156   8.9714   22.156   8.9714   0.0000   0.0000   50.630   13.007  ?   ?       ?      ? 
1 1 1    6   24   32 o   21.897   10.259  -4.8095   7.6471  -4.8095   7.6471   0.0000   0.0000   21.897   10.259  ?   ?       ?      ? 
1 1 1    6   24   33 o   23.924   10.903  -1.7764   7.8033  -1.7764   7.8033   0.0000   0.0000   23.924   10.903  ?   ?       ?      ? 
1 1 1    6   24   34 o   33.966   12.873   9.3137   8.1464   9.3137   8.1464   0.0000   0.0000   33.966   12.873  ?   ?       ?      ? 
1 1 1    6   25    0 f   38.015   11.000   9.6585   8.9499   7.9853   11.922   11.819   13.547   36.132   14.944   39.898   16.146 -3.765633 22.00018 
1 1 1    6   25    1 o   33.387   10.260   3.8195   8.6621   5.4765   11.663   1.7812   12.936   34.055   14.474   32.718   14.544 1.337318 20.51919 
1 1 1    6   25    2 o   36.683   10.633   5.6975   8.7811  -2.6871   11.463   17.603   13.660   28.717   13.136   44.648   16.724 -15.93160 21.26588 
1 1 1    6   25    3 o   37.200   10.831   8.4102   8.7401   4.9510   11.446   13.249   13.537   33.466   14.284   40.933   16.285 -7.466282 21.66199 
1 1 1    6   25    4 o   41.384   11.310   13.985   8.9858   12.681   12.202   15.531   13.283   40.036   15.602   42.732   16.379 -2.695835 22.62090 
1 1 1    6   25    5 o   37.164   10.543   8.0970   8.8526   16.742   11.903  -2.6057   13.243   43.764   15.740   30.564   14.032 13.19965 21.08614 
1 1 1    6   25    6 o   32.333   9.6890  -1.2712   8.2143 -13.9885   11.053   14.415   12.276   23.157   11.240   41.510   15.785 -18.35335 19.37804 
1 1 1    6   25    7 o   42.805   11.118   15.366   8.8794   21.984   12.368   8.3267   12.755   48.947   16.103   36.663   15.334 12.28417 22.23631 
1 1 1    6   25    8 o   30.538   13.604   0.8917   11.381   0.8917   11.381   0.0000   0.0000   30.538   13.604  ?   ?       ?      ? 
1 1 1    6   25    9 o   29.837   12.276   4.5273   7.9911   4.5273   7.9911   0.0000   0.0000   29.837   12.276  ?   ?       ?      ? 
1 1 1    6   25   10 o   39.543   13.130   12.986   8.2154   12.986   8.2154   0.0000   0.0000   39.543   13.130  ?   ?       ?      ? 
1 1 1    6   25   11 o   34.743   13.011   9.0916   8.2674   9.0916   8.2674   0.0000   0.0000   34.743   13.011  ?   ?       ?      ? 
1 1 1    6   25   12 o   83.081   9.2644   51.719   10.430   51.719   10.430   0.0000   0.0000   83.081   9.2644  ?   ?       ?      ? 
1 1 1    6   25   13 o   47.936   16.272   21.699   12.615   21.699   12.615   0.0000   0.0000   47.936   16.272  ?   ?       ?      ? 
1 1 1    6   25   14 o   44.525   16.091   18.371   12.458   18.371   12.458   0.0000   0.0000   44.525   16.091  ?   ?       ?      ? 
1 1 1    6   25   15 o   26.399   12.387  -5.8564   11.222  -5.8564   11.222   0.0000   0.0000   26.399   12.387  ?   ?       ?      ? 
1 1 1    6   25   16 o   25.343   12.008  -7.5255   11.017  -7.5255   11.017   0.0000   0.0000   25.343   12.008  ?   ?       ?      ? 
1 1 1    6   25   17 o   28.311   12.942  -1.5677   11.102  -1.5677   11.102   0.0000   0.0000   28.311   12.942  ?   ?       ?      ? 
1 1 1    6   25   18 o   35.910   14.865   9.2457   11.812   9.2457   11.812   0.0000   0.0000   35.910   14.865  ?   ?       ?      ? 
1 1 1    6   25   19 o   42.244   15.965   16.783   12.507   16.783   12.507   0.0000   0.0000   42.244   15.965  ?   ?       ?      ? 
1 1 1    6   25   20 o   26.221   12.379  -6.2449   11.517  -6.2449   11.517   0.0000   0.0000   26.221   12.379  ?   ?       ?      ? 
1 1 1    6   25   21 f   30.737   12.656   5.7997   8.5016   5.7997   8.5016   0.0000   0.0000   30.737   12.656  ?   ?       ?      ? 
1 1 1    6   25   22 o   31.774   12.631   7.2098   8.1381   7.2098   8.1381   0.0000   0.0000   31.774   12.631  ?   ?       ?      ? 
1 1 1    6   25   23 o   39.245   13.460   13.831   8.6317   13.831   8.6317   0.0000   0.0000   39.245   13.460  ?   ?       ?      ? 
1 1 1    6   25   24 o   24.929   11.274  -0.6655   8.1505  -0.6655   8.1505   0.0000   0.0000   24.929   11.274  ?   ?       ?      ? 
1 1 1    6   25   25 f   42.858   13.753   17.187   9.0514   17.187   9.0514   0.0000   0.0000   42.858   13.753  ?   ?       ?      ? 
1 1 1    6   26    0 o   28.178   9.2589  -2.8405   8.5158  -7.0834   11.557   2.1995   12.596   25.501   12.145   30.854   13.979 -5.353054 18.51789 
1 1 1    6   26    1 o   24.202   8.2394 -12.2452   8.0276 -21.6779   10.952  -1.2943   11.801   20.034   9.9913   28.371   13.104 -8.337372 16.47886 
1 1 1    6   26    2 o   27.621   8.8189  -7.4435   8.1551   10.228   11.209 -27.3159   11.887   35.395   14.549   19.846   9.9711 15.54937 17.63776 
1 1 1    6   26    3 o   26.931   8.9371  -3.9349   8.2446  -3.2283   11.127  -4.7949   12.277   26.727   12.474   27.135   12.802 -0.4083309 17.87422 
1 1 1    6   26    4 o   29.500   9.3949  -0.5729   8.4592   8.7339   11.529 -11.4279   12.451   34.258   14.467   24.741   11.990 9.517414 18.78972 
1 1 1    6   26    5 o   35.552   10.386   9.2535   8.8070   17.268   11.850  -0.6352   13.163   41.415   15.564   29.689   13.758 11.72627 20.77279 
1 1 1    7    0    0 o  1186.17   18.705  9550.13  300.506  9550.13  300.506   0.0000   0.0000  1186.17   18.705  1186.17   18.705 -0.000000 0.000000 
1 1 1    7    0    1 o  1266.24   19.922 10905.46  341.471 10924.10  483.500 10886.92  482.328  1267.32   28.185  1265.17   28.164 -0.000000 0.000000 
1 1 1    7    0    2 o  1062.22   16.870  7669.25  242.546  7611.48  341.322  7728.17  344.726  1058.18   23.830  1066.26   23.885 -0.000000 0.000000 
1 1 1    7    0    3 o  691.169   11.468  3242.64  107.237  3161.09  149.274  3329.61  154.155  682.186   16.168  700.153   16.267 -0.000000 0.000000 
1 1 1    7    0    4 o  556.730   9.6005  2103.89   72.312  2053.13  100.822  2157.67  103.772  549.808   13.551  563.652   13.604 -0.000000 0.000000 
1 1 1    7    0    5 o  931.937   14.942  5902.42  188.484  5894.16  266.261  5910.71  266.854  931.284   21.123  932.590   21.140 -0.000000 0.000000 
1 1 1    7    0    6 o  1123.58   17.792  8569.20  270.313  8231.32  372.039  8947.02  393.417  1100.16   24.984  1147.01   25.339 -0.000000 0.000000 
1 1 1    7    0    7 f  917.817   14.735  5725.45  183.057  5699.90  258.103  5751.32  259.669  915.755   20.823  919.878   20.855 -0.000000 0.000000 
1 1 1    7    0    8 f  1215.41   19.168 10045.17  315.228 10313.91  453.747  9794.46  438.257  1231.11   27.228  1199.71   26.988 -0.000000 0.000000 
1 1 1    7    0    9 o  855.271   13.825  4971.92  160.041  4959.47  225.877  4984.48  226.789  854.196   19.536  856.346   19.566 -0.000000 0.000000 
1 1 1    7    0   10 o  634.971   10.691  2727.86   91.680  2926.80  135.098  2558.04  124.821  656.366   15.207  613.575   15.032 -0.000000 0.000000 
1 1 1    7    0   11 o  429.546   7.9262  1252.10   46.041  1305.08   66.385  1202.99   63.908  438.312   11.193  420.781   11.226 -0.000000 0.000000 
1 1 1    7    0   12 o  400.718   7.5674  1090.27   41.012  1127.89   58.860  1054.76   57.177  407.450   10.677  393.987   10.727 -0.000000 0.000000 
1 1 1    7    0   13 o  537.418   13.228  1962.58   96.202   0.0000   0.0000  1962.58   96.202  537.418   13.228  537.418   13.228 -0.000000 0.000000 
1 1 1    7    0   14 o  787.016   18.184  4212.80  193.705   0.0000   0.0000  4212.80  193.705  787.016   18.184  787.016   18.184 -0.000000 0.000000 
1 1 1    7    0   15 o  540.740   9.3901  1987.00   68.710  2016.07   97.851  1958.74   96.503  544.648   13.276  536.833   13.284 -0.000000 0.000000 
1 1 1    7    0   16 o  303.407   6.4653  623.702   26.474  680.243   38.645  573.700   36.341  316.367   9.0307  290.446   9.2545 -0.000000 0.000000 
1 1 1    7    0   17 o  198.388   7.7980  268.036   20.891   0.0000   0.0000  268.036   20.891  198.388   7.7980  198.388   7.7980 -0.000000 0.000000 
1 1 1    7    0   19 o  417.629   7.8188  1184.92   44.172  1160.43   61.756  1210.57   63.205  413.205   11.047  422.054   11.068 -0.000000 0.000000 
1 1 1    7    0   20 o  359.346   10.040  877.631   48.805  877.631   48.805   0.0000   0.0000  359.346   10.040  359.346   10.040 -0.000000 0.000000 
1 1 1    7    0   21 o  342.169   9.7748  795.743   45.241  795.743   45.241   0.0000   0.0000  342.169   9.7748  342.169   9.7748 -0.000000 0.000000 
1 1 1    7    0   22 o  430.798   7.9821  1260.71   46.520  1238.45   65.166  1283.85   66.431  426.913   11.282  434.683   11.295 -0.000000 0.000000 
1 1 1    7    0   23 o  1143.00   18.118  8891.04  280.194  9133.69  403.371  8664.79  389.502  1158.06   25.732  1127.94   25.512 -0.000000 0.000000 
1 1 1    7    0   24 o  775.776   12.719  4077.67  133.314  3860.74  182.140  4328.00  195.653  753.606   17.858  797.945   18.115 -0.000000 0.000000 
1 1 1    7    0   25 o  535.500   9.3811  1938.43   67.809  2099.55  100.227  1802.43   92.083  555.950   13.321  515.050   13.213 -0.000000 0.000000 
1 1 1    7    0   26 o  1236.34   19.534 10356.07  326.011  9719.48  441.602 11118.62  483.315  1194.80   27.306  1277.89   27.940 -0.000000 0.000000 
1 1 1    7    0   27 o  774.148   12.713  4051.34  132.832  4375.12  197.003  3781.43  179.869  802.385   18.139  745.912   17.817 -0.000000 0.000000 
1 1 1    7    0   28 o  266.003   6.2046  480.786   22.299  460.491   31.099  502.263   31.992  260.203   8.8429  271.803   8.7059 -0.000000 0.000000 
1 1 1    7    0   29 o  229.777   5.9163  359.241   18.365  353.289   25.867  365.291   26.079  227.846   8.4036  231.708   8.3301 -0.000000 0.000000 
1 1 1    7    0   30 o  734.428   12.140  3665.25  120.673  3663.25  170.606  3667.25  170.708  734.228   17.168  734.628   17.169 -0.000000 0.000000 
1 1 1    7    0   31 o  591.423   10.151  2376.02   81.245  2347.81  114.134  2405.00  115.677  587.859   14.346  594.986   14.366 -0.000000 0.000000 
1 1 1    7    0   32 o  192.767   8.0391  253.163   20.917   0.0000   0.0000  253.163   20.917  192.767   8.0391  192.767   8.0391 -0.000000 0.000000 
1 1 1    7    0   33 o  231.406   8.4428  364.400   26.396   0.0000   0.0000  364.400   26.396  231.406   8.4428  231.406   8.4428 -0.000000 0.000000 
1 1 1    7    0   34 o  219.078   5.9400  326.774   17.574  323.974   24.936  329.537   24.773  218.133   8.4646  220.022   8.3358 -0.000000 0.000000 
1 1 1    7    0   35 o  349.405   7.1469  829.722   33.775  833.168   47.962  826.333   47.571  350.125   10.128  348.686   10.087 -0.000000 0.000000 
1 1 1    7    0   36 o  358.956   7.2788  872.898   35.279  810.428   48.417  943.609   51.511  345.267   10.369  372.645   10.218 -0.000000 0.000000 
1 1 1    7    0   38 o  957.034   15.431  6217.67  199.579  6573.11  292.403  5907.64  273.082  982.572   21.985  931.497   21.660 -0.000000 0.000000 
1 1 1    7    0   39 o  418.598   11.332  1190.98   64.176  1190.98   64.176   0.0000   0.0000  418.598   11.332  418.598   11.332 -0.000000 0.000000 
1 1 1    7    0   40 o  431.602   8.1706  1260.96   47.610  1168.76   65.010  1367.61   69.919  414.616   11.591  448.588   11.519 -0.000000 0.000000 
1 1 1    7    0   41 o  231.180   6.1662  363.784   19.231  339.963   26.905  388.665   27.498  223.385   8.9202  238.974   8.5157 -0.000000 0.000000 
1 1 1    7    0   46 o  158.740   5.9925  171.683   12.779  187.193   18.723  158.157   17.484  165.495   8.3977  151.984   8.5509 -0.000000 0.000000 
1 1 1    7    0   48 o  135.553   6.1505  126.779   11.126  113.545   15.882  139.533   15.591  128.372   9.2395  142.735   8.1207 -0.000000 0.000000 
1 1 1    7    0   49 o  108.353   6.6128   80.731   9.4941   91.898   14.167   71.628   12.791  115.283   9.2035  101.423   9.4981 -0.000000 0.000000 
1 1 1    7    0   50 o  319.927   9.8558  696.829   42.637   0.0000   0.0000  696.829   42.637  319.927   9.8558  319.927   9.8558 -0.000000 0.000000 
1 1 1    7    0   51 o  124.061   6.4478  106.693   10.636   95.406   15.210  117.493   14.878  117.355   9.7174  130.766   8.4775 -0.000000 0.000000 
1 1 1    7    0   52 o  161.330   6.1539  178.426   13.323  162.121   18.753  195.039   18.930  153.742   9.0736  168.918   8.3157 -0.000000 0.000000 
1 1 1    7    0   53 o  404.227   7.9573  1109.06   43.432  1191.57   63.705  1037.41   59.367  418.254   11.258  390.201   11.248 -0.000000 0.000000 
1 1 1    7    0   55 o  154.366   9.1184  163.508   18.922  163.508   18.922   0.0000   0.0000  154.366   9.1184  154.366   9.1184 -0.000000 0.000000 
1 1 1    7    0   56 o  503.146   13.059  1727.39   88.907  1727.39   88.907   0.0000   0.0000  503.146   13.059  503.146   13.059 -0.000000 0.000000 
1 1 1    7    0   57 o  233.917   6.4607  373.517   20.402  364.202   28.940  382.720   28.766  230.978   9.2798  236.857   8.9916 -0.000000 0.000000 
1 1 1    7    0   58 o   48.442   12.046   21.050   7.1771   20.259   10.674   21.702   9.6962   46.764   17.864   50.120   16.164 -0.000000 0.000000 
1 1 1    7    0   59 o  374.777   7.7280  952.605   39.054  865.176   53.090  1055.71   57.654  356.074   11.026  393.479   10.831 -0.000000 0.000000 
1 1 1    7    0   60 o  191.301   6.4114  248.286   16.441  287.869   24.429  215.512   22.228  205.264   8.8193  177.338   9.3082 -0.000000 0.000000 
1 1 1    7    0   61 o  301.607   7.0509  617.517   28.671  675.579   42.310  568.213   38.988  314.698   9.9437  288.517   9.9992 -0.000000 0.000000 
1 1 1    7    0   62 o  287.406   6.9633  563.443   27.035  576.294   38.969  551.518   37.539  290.558   9.9233  284.254   9.7713 -0.000000 0.000000 
1 1 1    7    0   63 o   27.544   11.082   1.2660   7.3042   14.520   11.514  -7.6590   9.4487   37.900   18.705   17.187   11.890 -0.000000 0.000000 
1 1 1    7    0   64 o  144.994   6.7227  143.285   12.975  170.017   19.415  121.710   17.441  157.319   9.1784  132.669   9.8252 -0.000000 0.000000 
1 1 1    7    0   65 o  257.529   9.4685  453.082   32.942   0.0000   0.0000  453.082   32.942  257.529   9.4685  257.529   9.4685 -0.000000 0.000000 
1 1 1    7    0   66 o  146.201   9.2959  147.200   18.247   0.0000   0.0000  147.200   18.247  146.201   9.2959  146.201   9.2959 -0.000000 0.000000 
1 1 1    7    0   68 o  205.930   6.6950  290.040   18.561  314.543   26.903  267.783   25.641  214.304   9.3038  197.556   9.6298 -0.000000 0.000000 
1 1 1    7    0   69 o  139.216   6.9947  132.979   12.915  159.999   19.187  110.596   17.463  152.374   9.3734  126.058   10.385 -0.000000 0.000000 
1 1 1    7    0   70 o   26.163   16.176   3.6159   11.322   3.6159   11.322   0.0000   0.0000   26.163   16.176   26.163   16.176 -0.000000 0.000000 
1 1 1    7    0   71 o  179.213   9.6130  221.139   23.193  221.139   23.193   0.0000   0.0000  179.213   9.6130  179.213   9.6130 -0.000000 0.000000 
1 1 1    7    0   72 o  158.220   6.8161  171.741   14.414  197.293   21.315  150.211   19.566  169.191   9.3623  147.249   9.9087 -0.000000 0.000000 
1 1 1    7    0   73 o  163.921   6.7890  186.068   14.921  173.100   21.264  198.646   20.943  158.085   10.018  169.757   9.1649 -0.000000 0.000000 
1 1 1    7    0   74 o   42.293   13.366   17.979   8.1865   20.244   11.888   15.937   11.290   45.224   19.156   39.361   18.646 -0.000000 0.000000 
1 1 1    7    0   75 o  169.793   6.7337  199.384   15.379  203.615   22.042  195.371   21.467  171.554   9.5489  168.033   9.4969 -0.000000 0.000000 
1 1 1    7    0   76 o   63.650   11.457   32.954   8.5342   34.955   12.468   31.190   11.707   65.772   16.153   61.528   16.251 -0.000000 0.000000 
1 1 1    7    0   77 o  106.013   7.6038   80.339   10.528   70.263   15.014   90.086   14.767   98.830   11.633  113.196   9.7953 -0.000000 0.000000 
1 1 1    7    0   78 o   34.442   12.211   11.262   7.2947   18.141   11.275   6.3092   9.5666   42.046   18.698   26.839   15.711 -0.000000 0.000000 
1 1 1    7    0   79 o   34.482   11.259   11.191   7.5659  -2.1019   11.886   20.246   9.8098   22.431   14.863   46.532   16.916 -0.000000 0.000000 
1 1 1    7    0   80 o   99.478   10.740   71.041   14.050   0.0000   0.0000   71.041   14.050   99.478   10.740   99.478   10.740 -0.000000 0.000000 
1 1 1    7    0   82 o  115.708   7.5364   95.895   11.563   93.447   16.708   98.147   16.020  114.027   11.051  117.390   10.250 -0.000000 0.000000 
1 1 1    7    0   83 o   24.005   10.354   1.3474   7.3791 -10.9051   11.677   9.4923   9.5209   18.040   12.645   29.970   16.399 -0.000000 0.000000 
1 1 1    7    0   85 o   39.822   19.517   17.807   12.500   17.807   12.500   0.0000   0.0000   39.822   19.517   39.822   19.517 -0.000000 0.000000 
1 1 1    7    0   86 o  104.920   8.2118   80.481   11.287   85.406   16.623   76.270   15.373  107.906   11.718  101.934   11.507 -0.000000 0.000000 
1 1 1    7    0   87 o   94.317   9.5847   67.245   10.962   87.291   16.221   50.394   14.872  109.323   11.220   79.312   15.543 -0.000000 0.000000 
1 1 1    7    0   88 o   94.042   9.6489   66.620   10.922   89.368   16.457   48.712   14.602  110.473   11.261   77.611   15.671 -0.000000 0.000000 
1 1 1    7    0   89 o   48.855   13.096   24.196   9.0880   35.116   13.274   14.562   12.468   62.403   18.089   35.307   18.944 -0.000000 0.000000 
1 1 1    7    0   90 o   56.109   12.913   31.138   9.3550   21.388   13.400   40.408   13.066   42.803   20.310   69.415   15.953 -0.000000 0.000000 
1 1 1    7    0   91 o   85.314   10.237   57.930   10.799   56.017   15.274   59.841   15.271   83.461   14.927   87.168   14.014 -0.000000 0.000000 
1 1 1    7    0   92 o   30.207   17.590   10.382   11.890   0.0000   0.0000   10.382   11.890   30.207   17.590   30.207   17.590 -0.000000 0.000000 
1 1 1    7    0   93 o   55.319   20.491   32.594   14.256   0.0000   0.0000   32.594   14.256   55.319   20.491   55.319   20.491 -0.000000 0.000000 
1 1 1    7    0   94 o   30.085   17.669   10.914   12.170   0.0000   0.0000   10.914   12.170   30.085   17.669   30.085   17.669 -0.000000 0.000000 
1 1 1    7    1    0 o  883.008   10.063  5288.41  120.405  5220.70  168.759  5358.61  171.840  877.255   14.196  888.761   14.268 -11.50568 20.12684 
1 1 1    7    1    1 o  829.268   13.424  4664.63  150.850   0.0000   0.0000  4664.63  150.850  ?   ?   829.268   13.424      ?      ? 
1 1 1    7    1    2 o  793.459   10.548  4276.63   98.201  4261.77  196.234  4281.59  113.426  792.265   18.278  794.653   10.533 -2.388062 21.09547 
1 1 1    7    1    3 o  828.768   9.4800  4658.79  106.464  4702.99  151.450  4615.62  149.690  832.652   13.422  824.884   13.391 7.768311 18.95991 
1 1 1    7    1    4 o  938.678   10.615  5978.82  135.020  5947.15  190.284  6010.92  191.616  936.176   14.999  941.180   15.024 -5.003357 21.22924 
1 1 1    7    1    5 o  977.873   11.022  6488.44  146.046  6394.65  204.586  6585.90  208.552  970.673   15.553  985.074   15.623 -14.40082 22.04490 
1 1 1    7    1    6 o  1183.28   13.180  9508.43  211.314  9372.92  295.983  9649.31  301.788  1174.69   18.594  1191.87   18.685 -17.17920 26.35992 
1 1 1    7    1    7 o  1116.45   12.479  8464.25  188.788  8563.14  269.111  8368.43  264.913  1122.86   17.686  1110.04   17.611 12.82764 24.95851 
1 1 1    7    1    8 o  1292.43   17.618 11413.61  291.785 11253.29  500.288 11496.27  359.207  1284.46   28.742  1300.40   20.384 -15.93323 35.23636 
1 1 1    7    1    9 o  700.171   10.030  3351.63   90.219  3250.68  153.292  3405.13  111.593  691.846   16.350  708.495   11.623 -16.64905 20.06059 
1 1 1    7    1   10 o  544.695   8.1637  2022.05   57.024  1984.14   97.544  2041.73   70.286  540.685   13.313  548.705   9.4525 -8.019470 16.32736 
1 1 1    7    1   11 o  587.320   7.0650  2339.69   56.230  2338.15   79.490  2341.24   79.553  587.126   9.9907  587.514   9.9921 -0.3874512 14.13001 
1 1 1    7    1   12 o  490.021   7.5470  1628.70   47.162  1627.84   57.653  1630.43   81.997  489.936   8.6837  490.106   12.346 -0.1705322 15.09395 
1 1 1    7    1   13 o  344.044   6.9120  802.262   32.209  837.542   46.291  769.154   44.844  351.371   9.7219  336.716   9.8279 14.65518 13.82396 
1 1 1    7    1   14 o  328.692   5.7801  722.217   24.133  762.579   42.826  703.438   29.213  335.275   9.4260  322.109   6.6925 13.16571 11.56024 
1 1 1    7    1   15 o  363.082   5.0221  893.476   24.704  871.040   34.516  917.042   35.374  358.411   7.1064  367.754   7.0982 -9.342926 10.04420 
1 1 1    7    1   16 o  410.246   6.7059  1155.03   35.253  1183.60   43.594  1101.02   59.929  417.760   7.7005  402.732   10.981 15.02823 13.41180 
1 1 1    7    1   17 f  260.648   5.9846  460.583   21.139  460.583   21.139   0.0000   0.0000  260.648   5.9846  ?   ?       ?      ? 
1 1 1    7    1   18 f  582.905   8.6433  2331.58   64.812  2386.51   80.455  2230.04  109.387  593.011   10.012  572.798   14.092 20.21344 17.28661 
1 1 1    7    1   19 o  411.238   7.6893  1146.91   42.851  1146.91   42.851   0.0000   0.0000  411.238   7.6893  ?   ?       ?      ? 
1 1 1    7    1   20 o  546.580   6.7142  2022.16   49.672  1927.03   68.263  2129.20   72.414  532.953   9.4518  560.207   9.5387 -27.25378 13.42848 
1 1 1    7    1   21 o  482.704   6.1221  1577.39   40.009  1656.35   58.073  1506.06   55.199  494.179   8.6718  471.228   8.6440 22.95142 12.24410 
1 1 1    7    1   22 f  654.131   11.006  2864.19   96.803  3288.65  148.456  2550.22  127.682  695.638   15.748  612.623   15.380 83.01501 22.01241 
1 1 1    7    1   23 o  533.480   9.3285  1919.59   67.218  2099.94  100.022  1771.06   90.770  556.177   13.271  510.783   13.114 45.39410 18.65703 
1 1 1    7    1   24 o  767.294   8.8852  3994.55   92.378  4052.91  131.769  3938.14  129.544  772.802   12.582  761.784   12.549 11.01801 17.77047 
1 1 1    7    1   25 o  473.332   8.5366  1519.06   54.756  1519.06   54.756   0.0000   0.0000  473.332   8.5366  ?   ?       ?      ? 
1 1 1    7    1   26 o  605.440   7.2811  2485.46   59.732  2524.64   85.217  2447.61   83.749  610.130   10.307  600.750   10.287 9.379272 14.56218 
1 1 1    7    1   27 o  557.248   6.8157  2105.55   51.467  2123.19   73.125  2088.24   72.451  559.560   9.6436  554.936   9.6342 4.624146 13.63148 
1 1 1    7    1   28 o  577.747   9.9217  2263.53   77.680  2263.53   77.680   0.0000   0.0000  577.747   9.9217  ?   ?       ?      ? 
1 1 1    7    1   29 o  624.260   7.4773  2642.50   63.249  2681.69   90.162  2604.52   88.749  628.817   10.581  619.703   10.568 9.113159 14.95452 
1 1 1    7    1   30 o  829.114   11.688  4684.76  124.175  4618.88  213.003  4718.67  152.833  824.364   19.067  833.863   13.525 -9.499084 23.37692 
1 1 1    7    1   31 o  1111.28   15.280  8221.61  213.348  8881.45  388.357  7936.40  255.327  1141.73   25.101  1080.82   17.432 60.90637 30.56037 
1 1 1    7    1   32 o  619.645   7.4415  2603.76   62.481  2642.85   89.088  2565.93   87.651  624.220   10.532  615.070   10.516 9.150330 14.88300 
1 1 1    7    1   33 o  828.635   13.462  4660.71  151.163  4660.71  151.163   0.0000   0.0000  828.635   13.462  ?   ?       ?      ? 
1 1 1    7    1   34 o  518.888   7.9194  1792.11   51.890  1734.46   62.393  1921.42   93.447  505.728   9.1041  532.049   12.961 -26.32153 15.83874 
1 1 1    7    1   35 o  273.082   5.5893  517.196   19.550  543.898   24.351  468.776   32.792  283.259   6.3438  262.905   9.2041 20.35416 11.17854 
1 1 1    7    1   36 o  535.837   6.6795  1942.91   48.444  2056.08   70.555  1841.97   66.633  550.564   9.4566  521.110   9.4358 29.45337 13.35900 
1 1 1    7    1   37 o  541.346   8.2500  1998.95   57.205  2019.50   70.433  1959.14   98.054  545.614   9.5259  537.078   13.472 8.536011 16.49996 
1 1 1    7    1   38 o  289.850   4.6545  569.482   18.280  560.095   25.657  579.160   26.052  287.424   6.5873  292.276   6.5775 -4.851166 9.308941 
1 1 1    7    1   39 o  593.408   10.205  2389.63   82.066  2389.63   82.066   0.0000   0.0000  593.408   10.205  ?   ?       ?      ? 
1 1 1    7    1   40 o  843.042   19.472  4845.21  222.451  4845.21  222.451   0.0000   0.0000  843.042   19.472  ?   ?       ?      ? 
1 1 1    7    1   41 o  904.735   12.710  5610.66  147.547  5475.57  251.602  5681.46  182.157  895.530   20.732  913.940   14.708 -18.41003 25.41951 
1 1 1    7    1   42 o  837.709   9.6915  4771.98  110.013  4723.19  154.618  4822.01  156.563  833.376   13.691  842.042   13.721 -8.666443 19.38296 
1 1 1    7    1   43 f  403.739   5.5434  1105.93   30.329  1110.45   42.995  1101.45   42.787  404.560   7.8426  402.917   7.8364 1.642517 11.08671 
1 1 1    7    1   44 o  372.737   5.2841  942.493   26.688  956.085   38.010  929.276   37.482  375.387   7.4719  370.087   7.4736 5.300446 10.56812 
1 1 1    7    1   45 o  322.828   4.9170  707.050   21.511  709.697   30.477  704.422   30.364  323.430   6.9536  322.226   6.9538 1.204132 9.833984 
1 1 1    7    1   46 o  269.895   6.5079  494.176   23.802  494.176   23.802   0.0000   0.0000  269.895   6.5079  ?   ?       ?      ? 
1 1 1    7    1   47 o  404.271   7.8718  1109.58   43.125  1109.58   43.125   0.0000   0.0000  404.271   7.8718  ?   ?       ?      ? 
1 1 1    7    1   48 o  234.817   5.5038  386.274   16.568  334.919   27.353  416.035   20.823  222.008   9.0918  247.627   6.2053 -25.61879 11.00757 
1 1 1    7    1   49 o  124.120   6.2035  104.536   10.434   0.0000   0.0000  104.536   10.434  ?   ?   124.120   6.2035      ?      ? 
1 1 1    7    1   50 o  304.280   4.8391  628.360   19.951  615.625   27.966  641.559   28.471  301.140   6.8529  307.419   6.8341 -6.279327 9.678167 
1 1 1    7    1   51 o  166.884   5.2530  191.763   11.209  197.370   13.848  181.111   19.088  170.540   5.9921  163.228   8.6296 7.311737 10.50595 
1 1 1    7    1   52 o  257.883   5.6003  454.922   18.496  461.300   22.794  442.628   31.648  260.673   6.4528  255.094   9.1551 5.579422 11.20067 
1 1 1    7    1   53 f  235.966   5.4660  370.519   16.379  356.686   19.775  400.747   29.231  229.208   6.3664  242.723   8.8870 -13.51433 10.93207 
1 1 1    7    1   54 o  161.909   5.4166  180.546   11.127  185.186   13.632  171.283   19.262  165.159   6.0907  158.658   8.9588 6.501434 10.83311 
1 1 1    7    1   56 o  152.352   4.4233  157.617   9.1317  159.577   13.005  155.710   12.825  153.286   6.2607  151.418   6.2504 1.867889 8.846694 
1 1 1    7    1   57 o  124.073   5.6765  104.197   8.9223  106.230   15.780  103.242   10.817  124.870   9.3254  123.276   6.4753 1.594078 11.35309 
1 1 1    7    1   58 o  134.122   4.5247  122.218   8.2238  122.425   11.655  122.012   11.605  134.235   6.4073  134.010   6.3905 0.2253113 9.049414 
1 1 1    7    1   59 o  377.287   7.7046  968.503   39.392   0.0000   0.0000  968.503   39.392  ?   ?   377.287   7.7046      ?      ? 
1 1 1    7    1   61 o  204.619   4.5351  284.474   12.572  292.631   17.981  276.673   17.586  207.490   6.3949  201.749   6.4323 5.740494 9.070254 
1 1 1    7    1   62 o  185.643   4.5712  234.173   11.497  241.170   16.480  227.540   16.046  188.344   6.4569  182.943   6.4725 5.401001 9.142468 
1 1 1    7    1   63 o  245.966   4.7090  411.033   15.687  429.913   22.583  393.429   21.806  251.423   6.6282  240.510   6.6906 10.91322 9.417900 
1 1 1    7    1   64 f  205.475   5.4615  277.185   14.358  318.945   25.551  257.912   17.359  216.227   8.7201  194.724   6.5782 21.50223 10.92307 
1 1 1    7    1   65 o  191.798   6.5222  250.261   16.952  250.261   16.952   0.0000   0.0000  191.798   6.5222  ?   ?       ?      ? 
1 1 1    7    1   66 o  265.048   4.8285  477.990   17.336  497.667   24.817  459.238   24.226  270.382   6.7731  259.713   6.8836 10.66885 9.657037 
1 1 1    7    1   67 o  203.818   5.6667  285.676   14.807  290.463   18.286  276.560   25.235  206.559   6.5328  201.078   9.2611 5.481400 11.33334 
1 1 1    7    1   68 o  126.777   4.9430  109.542   8.4918  110.829   12.051  108.274   11.968  127.518   6.9738  126.036   7.0071 1.481911 9.886024 
1 1 1    7    1   69 o   68.558   8.4113   29.860   7.3008   23.163   8.8222   44.414   13.005   56.922   11.823   80.193   11.967 -23.27061 16.82263 
1 1 1    7    1   70 o  162.761   4.7257  180.732   10.416  189.341   14.789  172.258   14.672  166.629   6.5496  158.893   6.8142 7.736206 9.451433 
1 1 1    7    1   71 o  205.986   4.6713  289.410   13.032  303.012   18.671  276.488   18.199  210.717   6.5387  201.254   6.6729 9.463470 9.342503 
1 1 1    7    1   72 o   96.891   11.284   65.131   14.816   65.131   14.816   0.0000   0.0000   96.891   11.284  ?   ?       ?      ? 
1 1 1    7    1   73 o  120.530   5.0791   99.526   8.2925   96.199   11.720  102.861   11.735  118.491   7.2987  122.568   7.0653 -4.077446 10.15821 
1 1 1    7    1   74 f   70.969   6.6784   34.889   6.3796   40.149   9.1470   29.906   8.9024   76.274   8.8494   65.663   10.005 10.61147 13.35686 
1 1 1    7    1   75 o  138.903   6.8522  132.360   12.898  132.360   12.898   0.0000   0.0000  138.903   6.8522  ?   ?       ?      ? 
1 1 1    7    1   76 o  121.834   5.0129  102.219   8.2365   89.887   11.538  115.032   11.761  114.236   7.4534  129.431   6.7055 -15.19524 10.02581 
1 1 1    7    1   77 o   64.934   7.2858   30.622   6.0630   22.292   8.6222   38.769   8.5274   55.106   11.895   74.761   8.4169 -19.65552 14.57154 
1 1 1    7    1   78 o   64.603   8.3660   28.742   6.7451   36.924   11.833   24.805   8.2094   70.771   12.810   58.435   10.764 12.33556 16.73207 
1 1 1    7    1   79 o   86.282   5.8328   51.765   6.7758   60.115   9.8349   44.220   9.3485   93.018   7.8022   79.546   8.6724 13.47198 11.66557 
1 1 1    7    1   80 o   33.935   8.8899   3.7102   5.7694  -2.3019   7.2573   14.035   9.5105   24.223   10.822   43.646   14.107 -19.42227 17.77974 
1 1 1    7    1   81 o  113.492   7.4233   93.009   11.211   73.503   15.797  112.802   15.913  100.738   11.572  126.245   9.3013 -25.50724 14.84657 
1 1 1    7    1   82 o   56.710   8.0056   23.743   6.0276   29.628   8.7419   18.409   8.3222   64.323   10.029   49.097   12.481 15.22620 16.01126 
1 1 1    7    1   83 o   66.958   8.5526   33.223   7.2278   32.470   8.9534   34.633   12.246   67.264   9.8225   66.651   14.004 0.6136780 17.10529 
1 1 1    7    1   84 o   53.581   8.1429   21.795   5.7367   22.533   8.1833   21.082   8.0442   54.527   11.440   52.635   11.591 1.892017 16.28571 
1 1 1    7    1   85 o   54.019   10.079   22.150   7.1089   27.514   12.608   19.649   8.6075   57.845   15.688   50.194   12.657 7.650928 20.15735 
1 1 1    7    1   86 o   55.529   8.5856   23.837   6.2751   24.592   9.1070   23.155   8.6586   56.310   12.280   54.747   12.002 1.562859 17.17129 
1 1 1    7    1   87 o   61.774   9.4047   31.424   7.4030   25.081   12.708   34.682   9.1080   54.518   16.093   69.031   9.7364 -14.51300 18.80947 
1 1 1    7    1   88 o   83.291   7.9239   51.941   8.4218   52.119   10.372   51.597   14.428   84.887   9.0166   81.695   13.033 3.192070 15.84773 
1 1 1    7    1   89 o   45.508   9.2509   16.698   6.0081   16.083   8.3570   17.356   8.6438   44.696   13.010   46.320   13.155 -1.623859 18.50172 
1 1 1    7    1   90 o   43.106   10.194   13.647   6.8257   22.057   11.699   9.3068   8.4045   50.438   15.562   35.773   13.172 14.66495 20.38811 
1 1 1    7    1   91 o   53.989   9.1967   26.922   7.5612   9.4722   12.565   36.829   9.4674   37.847   15.462   70.130   9.9619 -32.28336 18.39331 
1 1 1    7    1   92 o   58.111   9.6109   32.082   7.9613   15.758   13.503   40.781   9.8569   42.723   16.478   73.498   9.8965 -30.77540 19.22186 
1 1 1    7    1   93 o   40.918   11.191   13.816   9.1073   20.517   13.115   7.5758   12.657   46.336   16.537   35.500   15.083 10.83624 22.38225 
1 1 1    7    1   94 o   70.286   15.951   46.485   14.844   46.485   14.844   0.0000   0.0000   70.286   15.951  ?   ?       ?      ? 
1 1 1    7    1   95 o   55.788   17.097   32.908   14.148   32.908   14.148   0.0000   0.0000   55.788   17.097  ?   ?       ?      ? 
1 1 1    7    2    0 f  460.540   7.2381  1436.26   42.443  1443.43   74.102  1432.77   51.777  461.340   11.853  459.741   8.3108 1.599182 14.47617 
1 1 1    7    2    1 o  479.269   8.6165  1557.40   55.952  1527.79   78.277  1588.33   80.008  474.614   12.171  483.924   12.200 -9.310303 17.23291 
1 1 1    7    2    2 f  464.957   8.4235  1466.09   53.072  1452.26   74.602  1480.26   75.517  462.737   11.897  467.176   11.928 -4.438721 16.84698 
1 1 1    7    2    3 o  342.062   5.6697  804.662   22.736  770.199   45.034  816.452   26.340  337.035   9.8601  347.089   5.6000 -10.05377 11.33939 
1 1 1    7    2    4 o  543.579   7.7113  2005.09   49.099  2001.31   98.416  2006.34   56.654  543.118   13.372  544.040   7.6845 -0.9218750 15.42258 
1 1 1    7    2    5 o  754.472   10.715  3856.21  103.061  3885.82  179.587  3841.67  125.847  756.403   17.520  752.540   12.340 3.863098 21.42994 
1 1 1    7    2    6 o  535.477   8.0862  1956.99   55.459  1907.49   94.942  1982.63   68.328  530.210   13.214  540.743   9.3245 -10.53357 16.17248 
1 1 1    7    2    7 o  570.261   13.863  2207.06  107.132  2207.06  107.132   0.0000   0.0000  570.261   13.863  ?   ?       ?      ? 
1 1 1    7    2    8 o  871.225   14.085  5161.80  166.295  5175.37  235.461  5148.31  234.893  872.367   19.918  870.083   19.922 2.284119 28.17067 
1 1 1    7    2    9 o  597.465   10.185  2423.61   82.459  2446.96  117.141  2400.67  116.096  600.319   14.399  594.612   14.408 5.706787 20.36984 
1 1 1    7    2   10 o  474.267   6.0048  1521.72   38.547  1609.17   56.120  1443.62   53.039  487.136   8.5013  461.399   8.4828 25.73718 12.00954 
1 1 1    7    2   11 o  540.061   6.6244  1975.71   48.449  2057.36   70.058  1900.87   67.073  550.741   9.3871  529.382   9.3496 21.35864 13.24886 
1 1 1    7    2   12 o  440.545   5.7042  1314.21   34.029  1261.17   47.069  1372.29   49.253  431.247   8.0543  449.843   8.0796 -18.59604 11.40834 
1 1 1    7    2   13 o  431.496   6.9139  1287.55   38.536  1350.14   48.405  1179.21   63.682  446.188   8.0054  416.803   11.275 29.38477 13.82771 
1 1 1    7    2   14 o  583.732   8.6355  2334.48   64.832  2381.17   80.383  2247.56  109.666  592.371   10.013  575.093   14.072 17.27838 17.27096 
1 1 1    7    2   15 o  418.089   5.5133  1184.39   31.222  1146.43   43.371  1225.23   44.981  411.142   7.7845  425.036   7.8094 -13.89423 11.02652 
1 1 1    7    2   16 o  183.968   3.7904  229.441   9.4489  231.500   13.319  227.355   13.406  184.800   5.3187  183.137   5.4020 1.663376 7.580899 
1 1 1    7    2   17 o  307.325   4.5982  640.028   19.143  664.364   27.405  616.838   26.752  313.029   6.4605  301.622   6.5450 11.40677 9.196471 
1 1 1    7    2   18 o  377.620   6.3832  977.198   30.815  997.849   37.976  937.388   52.727  383.601   7.3055  371.639   10.470 11.96188 12.76640 
1 1 1    7    2   19 o  538.226   8.1644  1989.81   56.425  2042.09   69.957  1892.48   95.452  548.636   9.4094  527.817   13.345 20.81885 16.32875 
1 1 1    7    2   20 o  798.380   9.1972  4325.34   99.467  4450.83  143.106  4208.05  138.351  809.569   13.044  787.190   12.969 22.37897 18.39450 
1 1 1    7    2   21 o  725.185   8.4577  3566.37   83.078  3679.84  119.677  3460.83  115.419  736.306   11.994  714.065   11.928 22.24072 16.91533 
1 1 1    7    2   22 o  861.087   9.8558  5031.95  114.970  4923.85  160.171  5146.83  165.127  851.560   13.880  870.614   13.996 -19.05298 19.71153 
1 1 1    7    2   23 o  887.636   10.122  5344.50  121.689  5516.96  175.475  5184.72  168.901  901.412   14.365  873.861   14.263 27.55103 20.24316 
1 1 1    7    2   24 o  495.110   7.6427  1662.81   48.346  1662.53   83.722  1662.95   59.217  494.989   12.481  495.231   8.8238 -0.2415161 15.28536 
1 1 1    7    2   25 o  670.563   9.6958  3013.78   82.359  3158.09  146.665  2947.32   99.534  681.952   15.870  659.173   11.143 22.77850 19.39154 
1 1 1    7    2   26 o  577.239   13.994  2261.47  109.469  2261.47  109.469   0.0000   0.0000  577.239   13.994  ?   ?       ?      ? 
1 1 1    7    2   27 o  739.857   12.179  3715.70  122.068  3816.91  175.451  3620.76  169.941  749.609   17.272  730.104   17.176 19.50543 24.35863 
1 1 1    7    2   28 o  513.018   7.8443  1779.81   51.451  1801.06   89.243  1769.23   62.970  515.218   12.782  510.818   9.0968 4.400604 15.68858 
1 1 1    7    2   29 o  138.968   5.5001  130.887   10.358  130.887   10.358   0.0000   0.0000  138.968   5.5001  ?   ?       ?      ? 
1 1 1    7    2   30 o  400.007   7.6518  1084.70   41.478  1084.70   41.478   0.0000   0.0000  400.007   7.6518  ?   ?       ?      ? 
1 1 1    7    2   31 o  332.273   4.8877  748.205   22.003  770.608   31.370  726.507   30.872  337.169   6.8656  327.377   6.9587 9.791809 9.775486 
1 1 1    7    2   33 o  490.732   8.8246  1633.01   58.684  1633.01   58.684   0.0000   0.0000  490.732   8.8246  ?   ?       ?      ? 
1 1 1    7    2   34 o  726.149   10.413  3568.81   96.304  3545.07  117.407  3617.63  168.364  722.761   11.987  729.537   17.030 -6.775574 20.82595 
1 1 1    7    2   35 o  619.852   9.1609  2626.74   72.845  2666.44   89.949  2551.09  124.171  626.907   10.588  612.797   14.953 14.11005 18.32181 
1 1 1    7    2   36 o  534.004   8.1822  1960.80   56.229  2020.14   69.957  1852.51   94.511  545.717   9.4597  522.292   13.353 23.42529 16.36447 
1 1 1    7    2   37 o  959.806   15.404  6262.07  200.349  6262.07  200.349   0.0000   0.0000  959.806   15.404  ?   ?       ?      ? 
1 1 1    7    2   38 f  372.734   7.4452  942.094   37.606  942.094   37.606   0.0000   0.0000  372.734   7.4452  ?   ?       ?      ? 
1 1 1    7    2   39 o  530.451   6.6322  1909.02   47.673  1927.18   67.712  1891.18   67.132  532.952   9.3755  527.950   9.3832 5.002136 13.26439 
1 1 1    7    2   40 o  563.951   6.9538  2158.27   53.140  2137.84   74.694  2179.22   75.618  561.249   9.8209  566.653   9.8475 -5.403809 13.90760 
1 1 1    7    2   41 o  478.344   6.1695  1552.56   39.992  1558.20   56.634  1546.96   56.482  479.210   8.7210  477.479   8.7291 1.731506 12.33907 
1 1 1    7    2   42 o  461.736   12.099  1448.95   75.704  1448.95   75.704   0.0000   0.0000  461.736   12.099  ?   ?       ?      ? 
1 1 1    7    2   43 o  411.359   5.6035  1148.10   31.235  1135.98   43.936  1160.49   44.415  409.163   7.9239  413.555   7.9253 -4.391510 11.20708 
1 1 1    7    2   44 o  314.177   4.8600  669.432   20.689  656.210   28.998  683.139   29.527  311.018   6.8801  317.336   6.8661 -6.318207 9.720063 
1 1 1    7    2   45 o  189.659   4.2444  243.966   10.908  248.466   15.469  239.515   15.383  191.400   5.9639  187.919   6.0409 3.481689 8.488825 
1 1 1    7    2   46 o  274.168   9.1681  510.621   34.063  510.621   34.063   0.0000   0.0000  274.168   9.1681  ?   ?       ?      ? 
1 1 1    7    2   47 o  541.187   9.5803  1990.54   70.260  1990.54   70.260   0.0000   0.0000  541.187   9.5803  ?   ?       ?      ? 
1 1 1    7    2   48 o  151.801   4.3087  156.358   8.8625  158.935   12.526  153.775   12.541  153.055   6.0393  150.546   6.1471 2.508575 8.617394 
1 1 1    7    2   49 o  539.978   9.5861  1982.68   70.145  1982.68   70.145   0.0000   0.0000  539.978   9.5861  ?   ?       ?      ? 
1 1 1    7    2   50 o  335.168   7.1647  762.790   32.542  762.790   32.542   0.0000   0.0000  335.168   7.1647  ?   ?       ?      ? 
1 1 1    7    2   52 o  233.510   5.5763  373.345   16.494  378.576   20.113  362.602   28.824  236.152   6.2848  230.867   9.2132 5.285156 11.15268 
1 1 1    7    2   53 o  319.390   6.0342  680.348   24.475  656.680   29.566  731.871   43.623  310.927   7.0171  327.854   9.8188 -16.92697 12.06845 
1 1 1    7    2   54 o  210.579   4.4233  301.090   12.623  299.754   17.819  302.435   17.883  210.110   6.2583  211.048   6.2528 -0.9380798 8.846675 
1 1 1    7    2   55 o  218.997   4.4629  325.668   13.244  330.126   18.832  321.306   18.629  220.480   6.3030  217.513   6.3200 2.966721 8.925795 
1 1 1    7    2   56 o  327.783   7.1621  730.260   31.813  730.260   31.813   0.0000   0.0000  327.783   7.1621  ?   ?       ?      ? 
1 1 1    7    2   58 o  163.405   5.4581  178.316   11.317  191.090   20.184  172.459   13.668  167.487   8.8930  159.322   6.3306 8.164413 10.91615 
1 1 1    7    2   59 o  302.427   4.9453  621.755   20.263  603.996   28.453  640.030   28.864  298.039   7.0449  306.816   6.9422 -8.777222 9.890619 
1 1 1    7    2   60 o  213.667   6.4475  310.300   18.669  310.300   18.669   0.0000   0.0000  213.667   6.4475  ?   ?       ?      ? 
1 1 1    7    2   61 o  245.214   6.6426  408.835   22.073  408.835   22.073   0.0000   0.0000  245.214   6.6426  ?   ?       ?      ? 
1 1 1    7    2   62 o  313.266   6.1188  651.544   24.350  718.995   43.600  620.969   29.355  324.439   9.9167  302.092   7.1706 22.34616 12.23760 
1 1 1    7    2   63 o  247.355   4.7337  415.640   15.856  436.784   22.866  396.057   22.006  253.412   6.6587  241.298   6.7299 12.11336 9.467320 
1 1 1    7    2   64 o  237.235   6.6539  382.878   21.391   0.0000   0.0000  382.878   21.391  ?   ?   237.235   6.6539      ?      ? 
1 1 1    7    2   65 o  108.587   5.2100   80.350   7.6617   77.142   10.842   83.549   10.828  106.410   7.5190  110.764   7.2139 -4.354591 10.41996 
1 1 1    7    2   66 o  162.253   4.6877  179.191   10.306  182.085   14.622  176.334   14.529  163.559   6.5973  160.948   6.6613 2.610626 9.375338 
1 1 1    7    2   67 o  161.630   5.8834  179.757   12.070  182.364   14.751  174.475   20.995  163.645   6.6519  159.615   9.7063 4.029785 11.76688 
1 1 1    7    2   68 o  233.000   5.8925  358.971   17.259  340.174   20.593  403.338   31.637  223.419   6.8015  242.580   9.6241 -19.16086 11.78490 
1 1 1    7    2   69 o  153.998   6.8156  161.726   14.223  161.726   14.223   0.0000   0.0000  153.998   6.8156  ?   ?       ?      ? 
1 1 1    7    2   70 o  131.554   4.8997  118.427   8.6960  105.266   12.262  131.741   12.334  124.132   7.2897  138.977   6.5490 -14.84549 9.799441 
1 1 1    7    2   71 o  143.685   4.7677  141.022   9.2725  132.386   13.038  149.861   13.190  139.204   6.9113  148.166   6.5695 -8.961868 9.535414 
1 1 1    7    2   72 o   84.061   5.8463   48.639   6.6420   45.803   9.5454   51.301   9.2481   81.630   8.6290   86.492   7.8903 -4.862022 11.69258 
1 1 1    7    2   73 o  169.017   5.6856  185.794   12.166  225.924   22.318  168.827   14.512  180.977   9.1001  157.057   6.8186 23.92033 11.37123 
1 1 1    7    2   74 o  129.176   4.9230  114.608   8.5912  104.179   12.134  125.091   12.165  123.205   7.2678  135.148   6.6425 -11.94281 9.846017 
1 1 1    7    2   75 f  116.912   7.1502   93.911   11.328   93.911   11.328   0.0000   0.0000  116.912   7.1502  ?   ?       ?      ? 
1 1 1    7    2   76 o  176.000   5.6741  208.743   12.827  230.689   22.446  198.101   15.631  182.214   9.0901  169.786   6.7936 12.42735 11.34820 
1 1 1    7    2   77 o   76.757   8.8359   42.846   8.9108   39.364   13.017   45.915   12.224   72.917   13.676   80.597   11.192 -7.679703 17.67186 
1 1 1    7    2   78 o  113.045   6.6330   93.709   9.4114   76.803   15.809  102.991   11.713  103.974   11.220  122.115   7.0782 -18.14127 13.26600 
1 1 1    7    2   79 o  108.419   5.2535   81.467   7.7150   84.766   11.080   78.362   10.749  110.559   7.3957  106.278   7.4631 4.280609 10.50691 
1 1 1    7    2   80 o   39.435   8.6858   11.187   5.3687   6.7024   7.7396   15.347   7.4533   33.620   12.589   45.251   11.970 -11.63030 17.37157 
1 1 1    7    2   81 o   48.148   9.7332   18.387   6.6448   20.626   8.1274   13.872   11.540   52.390   11.739   43.905   15.529 8.484676 19.46649 
1 1 1    7    2   82 o   71.580   8.2202   38.299   7.2786   39.273   8.9813   36.436   12.424   74.447   8.9025   68.713   13.821 5.734169 16.44031 
1 1 1    7    2   83 o   46.913   8.7239   16.893   5.6287   15.545   7.8963   18.286   8.0255   44.986   12.503   48.840   12.170 -3.854050 17.44789 
1 1 1    7    2   84 o   65.859   7.0540   31.333   6.2834   33.868   8.9840   28.905   8.7914   68.592   9.6653   63.126   10.277 5.466122 14.10798 
1 1 1    7    2   85 o   79.560   6.3959   45.439   6.8792   42.041   9.7360   48.827   9.7212   76.410   9.4026   82.711   8.6731 -6.301262 12.79186 
1 1 1    7    2   86 o   89.840   7.5866   58.064   8.7270   63.684   15.267   55.337   10.636   91.904   12.259   87.776   8.9415 4.127434 15.17330 
1 1 1    7    2   87 o   54.738   10.108   21.528   7.3459   35.637   13.079   15.027   8.8785   65.932   14.980   43.544   13.577 22.38774 20.21698 
1 1 1    7    2   88 f   85.031   6.3321   52.144   7.2768   47.183   10.023   57.674   10.581   80.634   9.1730   89.428   8.7314 -8.793457 12.66419 
1 1 1    7    2   89 o   48.285   10.171   19.520   7.1000   18.149   11.480   20.369   9.0354   46.465   15.524   50.104   13.144 -3.638790 20.34123 
1 1 1    7    2   90 o   85.207   7.6493   51.196   8.5305   72.878   14.386   39.437   10.594   98.192   10.811   72.223   10.825 25.96914 15.29867 
1 1 1    7    2   91 o   43.643   10.767   13.719   8.9641   0.7214   12.374   28.073   13.004   31.671   14.141   55.615   16.240 -23.94457 21.53433 
1 1 1    7    2   92 o   80.733   9.2075   54.307   8.9867   49.504   15.507   56.736   11.027   74.379   15.868   87.086   9.3442 -12.70609 18.41497 
1 1 1    7    2   93 o   74.766   10.924   50.458   10.694   50.229   15.430   50.670   14.835   74.087   15.849   75.446   15.038 -1.359322 21.84733 
1 1 1    7    2   94 o   30.862   13.889   1.7586   12.192   1.7586   12.192   0.0000   0.0000   30.862   13.889  ?   ?       ?      ? 
1 1 1    7    2   95 o   36.843   15.423   11.456   12.919   11.456   12.919   0.0000   0.0000   36.843   15.423  ?   ?       ?      ? 
1 1 1    7    3    0 o  674.347   9.8093  3126.31   85.226  2952.41  142.884  3222.35  106.183  659.430   15.989  689.265   11.368 -29.83447 19.61869 
1 1 1    7    3    1 o  655.248   11.019  2914.91   97.845  2912.82  138.244  2917.00  138.506  655.014   15.574  655.482   15.593 -0.4680786 22.03855 
1 1 1    7    3    2 o  760.819   12.506  3931.56  128.928  3992.48  183.990  3872.78  180.719  766.606   17.711  755.033   17.663 11.57336 25.01279 
1 1 1    7    3    3 o  675.725   11.301  3100.63  103.485  3089.59  145.936  3111.80  146.768  674.516   15.966  676.934   15.999 -2.417236 22.60273 
1 1 1    7    3    4 o  373.313   7.3393  945.155   37.128  954.285   52.714  936.167   52.302  375.103   10.370  371.524   10.388 3.578400 14.67863 
1 1 1    7    3    5 o  639.687   10.801  2778.65   93.626  2806.61  133.159  2751.32  131.667  642.868   15.285  636.506   15.265 6.362061 21.60204 
1 1 1    7    3    6 o  767.301   17.809  4002.31  185.174  4002.31  185.174   0.0000   0.0000  767.301   17.809  ?   ?       ?      ? 
1 1 1    7    3    7 o  353.096   7.0012  845.843   33.494  830.554   47.503  860.958   47.233  349.918   10.018  356.274   9.7831 -6.356476 14.00236 
1 1 1    7    3    8 o  150.274   5.1374  152.695   10.433  158.383   15.443  147.918   14.151  152.839   7.4559  147.708   7.0695 5.130722 10.27470 
1 1 1    7    3    9 o  246.656   5.8685  412.737   19.603  407.994   28.149  417.202   27.315  245.275   8.4688  248.036   8.1264 -2.761276 11.73706 
1 1 1    7    3   10 o  498.804   6.2400  1686.38   42.164  1741.35   60.570  1634.70   58.729  506.685   8.8214  490.924   8.8279 15.76105 12.47992 
1 1 1    7    3   11 o  640.654   7.6312  2785.33   66.248  2758.31   93.032  2813.12   94.359  637.506   10.769  643.803   10.816 -6.297119 15.26243 
1 1 1    7    3   12 o  540.371   6.6516  1978.17   48.671  2067.93   70.454  1896.22   67.316  552.079   9.4172  528.663   9.3962 23.41589 13.30315 
1 1 1    7    3   13 o  413.091   5.4807  1157.05   30.677  1182.35   43.738  1132.55   43.037  417.536   7.7300  408.646   7.7717 8.890015 10.96140 
1 1 1    7    3   14 o  453.670   5.8324  1396.00   35.856  1409.94   50.849  1382.23   50.567  455.922   8.2302  451.418   8.2662 4.504028 11.66477 
1 1 1    7    3   15 o  400.066   5.3621  1085.41   29.069  1099.44   41.237  1071.55   40.984  402.638   7.5577  397.495   7.6086 5.142670 10.72420 
1 1 1    7    3   16 o  336.836   4.8418  769.309   22.100  779.128   31.309  759.559   31.199  338.979   6.8157  334.693   6.8787 4.286438 9.683501 
1 1 1    7    3   17 o  525.987   9.2596  1876.94   66.001   0.0000   0.0000  1876.94   66.001  ?   ?   525.987   9.2596      ?      ? 
1 1 1    7    3   18 o  821.249   13.365  4581.02  148.743  4581.02  148.743   0.0000   0.0000  821.249   13.365  ?   ?       ?      ? 
1 1 1    7    3   19 o  499.571   6.2810  1692.67   42.520  1708.01   60.278  1677.48   59.989  501.825   8.8639  497.317   8.9013 4.507416 12.56191 
1 1 1    7    3   20 o  592.791   8.7907  2386.57   66.453  2389.16   81.268  2381.33  115.443  593.458   10.105  592.125   14.387 1.332336 17.58137 
1 1 1    7    3   21 o  997.667   11.259  6761.49  152.209  6700.50  213.889  6824.06  216.649  993.115   15.893  1002.22   15.952 -9.105652 22.51778 
1 1 1    7    3   22 o  649.019   7.7073  2855.95   67.768  2796.03   94.505  2919.37   97.230  642.017   10.862  656.020   10.937 -14.00287 15.41456 
1 1 1    7    3   23 o  802.644   9.2459  4371.64  100.563  4340.08  141.441  4403.90  143.006  799.718   13.051  805.571   13.100 -5.853699 18.49175 
1 1 1    7    3   24 o  431.193   6.8977  1248.21   37.931  1297.91   66.552  1224.30   46.163  437.428   11.227  424.957   8.0162 12.47116 13.79532 
1 1 1    7    3   25 o  256.362   5.3107  451.598   17.544  425.390   29.384  466.116   21.871  250.483   8.6567  262.241   6.1542 -11.75775 10.62135 
1 1 1    7    3   26 o  610.904   14.698  2533.29  121.675  2533.29  121.675   0.0000   0.0000  610.904   14.698  ?   ?       ?      ? 
1 1 1    7    3   27 o  798.376   9.2363  4324.07   99.916  4262.25  140.000  4388.25  142.643  792.564   13.035  804.188   13.089 -11.62415 18.47256 
1 1 1    7    3   28 o  759.491   8.8296  3913.45   90.874  3937.72  128.961  3889.50  128.075  761.830   12.492  757.152   12.482 4.678223 17.65926 
1 1 1    7    3   29 o  426.557   5.6630  1233.39   32.732  1222.15   45.946  1244.97   46.643  424.585   7.9855  428.529   8.0319 -3.943787 11.32606 
1 1 1    7    3   30 o  650.623   7.7604  2869.82   68.403  2940.91   98.132  2802.63   95.399  658.455   10.998  642.791   10.952 15.66400 15.52082 
1 1 1    7    3   31 o  881.319   14.253  5283.16  170.225  5316.79  241.525  5249.97  239.952  884.105   20.159  878.533   20.155 5.572266 28.50656 
1 1 1    7    3   32 o  595.881   8.8291  2355.09   66.218  2267.72   79.315  2556.09  120.300  578.216   10.122  613.547   14.469 -35.33014 17.65822 
1 1 1    7    3   33 o  674.724   8.0015  3088.93   73.161  3082.16  103.172  3095.77  103.760  673.982   11.296  675.466   11.336 -1.483826 16.00309 
1 1 1    7    3   34 o  726.701   8.5147  3584.10   83.849  3614.92  119.066  3553.78  118.100  729.801   12.039  723.602   12.044 6.198181 17.02939 
1 1 1    7    3   35 o  722.305   8.4753  3541.46   82.958  3547.41  117.274  3535.50  117.366  722.914   11.971  721.696   12.001 1.218262 16.95052 
1 1 1    7    3   36 o  426.112   5.6999  1231.23   32.911  1253.98   46.776  1208.93   46.313  430.012   8.0271  422.212   8.0946 7.799469 11.39985 
1 1 1    7    3   37 o  391.197   6.6578  1040.18   33.191  1044.02   40.589  1032.43   57.664  392.374   7.6335  390.021   10.910 2.352844 13.31551 
1 1 1    7    3   38 f  556.141   8.4607  2117.89   60.345  2156.27   74.554  2044.97  102.760  563.714   9.7595  548.569   13.823 15.14410 16.92130 
1 1 1    7    3   39 o  397.083   5.4859  1069.35   29.518  1062.51   41.465  1076.38   42.030  395.797   7.7308  398.370   7.7856 -2.572540 10.97177 
1 1 1    7    3   40 o  447.782   8.3450  1360.32   50.638  1360.32   50.638   0.0000   0.0000  447.782   8.3450  ?   ?       ?      ? 
1 1 1    7    3   41 o  406.333   7.8382  1120.10   43.160  1120.10   43.160   0.0000   0.0000  406.333   7.8382  ?   ?       ?      ? 
1 1 1    7    3   42 o  212.708   4.3077  306.698   12.414  298.117   17.376  315.643   17.742  209.670   6.1157  215.746   6.0684 -6.076477 8.615486 
1 1 1    7    3   43 o  295.186   6.7107  591.052   26.844   0.0000   0.0000  591.052   26.844  ?   ?   295.186   6.7107      ?      ? 
1 1 1    7    3   44 o  266.299   9.2508  481.618   33.383  481.618   33.383   0.0000   0.0000  266.299   9.2508  ?   ?       ?      ? 
1 1 1    7    3   45 o  202.663   4.2945  278.574   11.794  275.443   16.594  281.771   16.764  201.512   6.0769  203.814   6.0697 -2.301773 8.588956 
1 1 1    7    3   46 o  326.618   4.9790  723.991   22.038  724.127   31.109  723.854   31.223  326.650   7.0279  326.586   7.0549 0.6375122E-01 9.958012 
1 1 1    7    3   47 o  498.325   6.3880  1687.43   43.138  1686.58   60.949  1688.28   61.063  498.201   9.0278  498.449   9.0401 -0.2482910 12.77592 
1 1 1    7    3   48 o  529.637   6.6896  1906.92   48.010  1885.83   67.431  1928.59   68.372  526.670   9.4480  532.603   9.4731 -5.932861 13.37924 
1 1 1    7    3   49 o  444.463   7.2606  1322.67   40.815  1285.74   49.199  1404.19   73.097  434.995   8.3462  453.931   11.883 -18.93597 14.52126 
1 1 1    7    3   50 o  344.551   6.3292  807.517   27.787  808.155   33.955  806.222   48.347  344.962   7.2636  344.140   10.367 0.8223877 12.65830 
1 1 1    7    3   51 o  164.745   4.3228  184.164   9.6466  176.628   13.524  191.969   13.763  161.312   6.1868  168.178   6.0392 -6.866623 8.645673 
1 1 1    7    3   52 o  288.632   4.7703  565.754   18.658  567.731   26.367  563.770   26.407  289.139   6.7292  288.125   6.7633 1.013733 9.540649 
1 1 1    7    3   53 f  352.667   5.2160  844.895   24.923  867.873   35.560  822.711   34.941  357.383   7.3426  347.951   7.4102 9.431854 10.43192 
1 1 1    7    3   54 o  355.594   6.4693  873.552   29.552  903.077   36.741  819.448   49.736  364.513   7.4380  346.675   10.587 17.83777 12.93850 
1 1 1    7    3   55 o  350.961   5.2374  837.152   24.906  854.912   35.478  819.893   34.973  354.635   7.3823  347.288   7.4313 7.346619 10.47483 
1 1 1    7    3   56 o  187.247   4.4310  238.164   11.243  236.873   15.957  239.437   15.843  186.741   6.3057  187.755   6.2269 -1.013885 8.862032 
1 1 1    7    3   57 o  248.153   4.6253  418.431   15.554  417.918   21.990  418.945   22.003  248.000   6.5432  248.305   6.5391 -0.3050232 9.250614 
1 1 1    7    3   58 o  235.825   4.5762  377.926   14.624  374.260   20.664  381.603   20.698  234.677   6.4978  236.973   6.4455 -2.296661 9.152333 
1 1 1    7    3   59 o  249.265   5.7297  422.247   18.135  425.264   31.833  420.797   22.066  249.715   9.4069  248.815   6.5442 0.8994446 11.45933 
1 1 1    7    3   61 o  119.815   4.9775   97.164   8.0330  113.359   11.788   83.123   10.976  129.109   6.7374  110.520   7.3288 18.58839 9.955081 
1 1 1    7    3   62 o  284.926   4.8859  551.777   18.856  575.683   27.112  529.382   26.241  290.903   6.8776  278.949   6.9418 11.95410 9.771889 
1 1 1    7    3   63 o  147.595   4.6505  148.175   9.3010  147.791   13.212  148.552   13.097  147.402   6.6140  147.788   6.5394 -0.3855896 9.300992 
1 1 1    7    3   64 o   64.234   7.1826   28.555   6.0249   35.280   8.8291   22.695   8.2420   71.881   9.0640   56.588   11.145 15.29362 14.36520 
1 1 1    7    3   65 o   97.473   7.1250   70.344   8.4830   80.481   10.488   51.166   14.426  108.708   7.1195   86.238   12.344 22.46969 14.24991 
1 1 1    7    3   66 o  143.543   6.0843  145.314   11.020  154.600   13.591  127.487   18.830  150.689   6.6554  136.398   10.187 14.29050 12.16868 
1 1 1    7    3   67 o  253.907   4.8071  439.160   16.539  446.961   23.545  431.563   23.236  256.135   6.7835  251.678   6.8129 4.456696 9.614173 
1 1 1    7    3   68 o  218.622   4.7116  325.741   13.958  326.141   19.812  325.347   19.669  218.751   6.6833  218.492   6.6430 0.2586060 9.423182 
1 1 1    7    3   69 o  159.353   5.8145  180.605   11.870  199.145   15.044  150.031   19.319  170.910   6.4955  147.797   9.6457 23.11244 11.62890 
1 1 1    7    3   70 o   71.845   8.4819   40.466   7.3628   52.331   9.5441   23.025   11.572   87.418   8.0566   56.273   14.929 31.14571 16.96387 
1 1 1    7    3   71 o  123.667   4.9820  104.783   8.3287   97.200   11.846  112.197   11.713  119.186   7.3341  128.148   6.7447 -8.961617 9.963938 
1 1 1    7    3   72 o   81.302   6.1703   45.445   6.7951   47.056   9.7826   43.944   9.4456   82.692   8.7299   79.911   8.7225 2.780495 12.34065 
1 1 1    7    3   73 o  116.889   6.2435   95.092   9.4211   97.197   11.747   91.297   15.771  119.048   7.2818  114.730   10.144 4.317238 12.48693 
1 1 1    7    3   74 o  190.358   5.8431  244.165   14.224  267.046   25.064  233.294   17.276  196.292   9.4225  184.424   6.9126 11.86845 11.68620 
1 1 1    7    3   75 o  159.965   5.9648  171.037   11.973  192.757   22.010  161.909   14.269  166.388   9.7615  153.541   6.8577 12.84708 11.92955 
1 1 1    7    3   76 o   46.465   8.5633   15.685   5.5847   21.020   8.0929   10.835   7.7165   53.627   11.483   39.304   12.707 14.32273 17.12667 
1 1 1    7    3   77 o   93.617   5.5742   60.677   7.0446   68.018   10.139   53.826   9.7951   99.174   7.5441   88.060   8.2082 11.11449 11.14846 
1 1 1    7    3   78 o  145.074   4.8988  145.405   9.6231  138.209   13.557  152.711   13.661  141.397   7.0755  148.752   6.7772 -7.354950 9.797593 
1 1 1    7    3   79 o   72.764   7.8704   36.664   7.3831   34.105   9.0119   41.887   12.875   69.530   9.5645   75.998   12.502 -6.468483 15.74074 
1 1 1    7    3   80 f   28.234   8.7200  -0.3202   6.0497  -0.2663   7.4864  -0.4218   10.270   26.198   11.370   30.270   13.224 -4.072561 17.44004 
1 1 1    7    3   81 o   35.965   8.8275   8.7235   5.4018   5.4817   7.7601   11.771   7.5240   32.069   12.458   39.860   12.510 -7.791229 17.65504 
1 1 1    7    3   82 o   71.811   6.5920   36.873   6.3396   30.285   8.8582   43.791   9.0768   64.917   10.069   78.706   8.5102 -13.78930 13.18402 
1 1 1    7    3   83 o   89.290   7.1358   55.140   8.1595   50.500   9.8663   65.179   14.514   84.335   8.6330   94.245   11.364 -9.909698 14.27151 
1 1 1    7    3   84 o   49.228   8.9178   18.843   5.9737   18.465   8.3179   19.245   8.5846   48.751   12.524   49.704   12.699 -0.9533234 17.83555 
1 1 1    7    3   85 o   80.790   6.2563   46.729   6.8487   47.625   9.7650   45.863   9.6079   81.557   8.8354   80.022   8.8600 1.535202 12.51259 
1 1 1    7    3   86 o   84.093   6.1788   50.668   7.0350   53.701   10.109   47.819   9.7965   86.597   8.6142   81.589   8.8605 5.007652 12.35768 
1 1 1    7    3   87 o   44.578   13.020   15.787   8.3570   0.0000   0.0000   15.787   8.3570  ?   ?    44.578   13.020      ?      ? 
1 1 1    7    3   88 o   59.019   12.178   27.318   9.4165   0.0000   0.0000   27.318   9.4165  ?   ?    59.019   12.178      ?      ? 
1 1 1    7    3   89 o   48.655   9.9839   20.690   7.3614   12.469   12.080   25.547   9.2845   40.710   15.616   56.600   12.444 -15.89024 19.96774 
1 1 1    7    3   90 o   41.183   10.330   13.594   7.0612   14.752   11.608   12.914   8.8965   42.337   15.497   40.028   13.665 2.309460 20.66096 
1 1 1    7    3   91 o   34.955   10.456   6.3748   8.5392   6.3279   11.992   6.4230   12.162   34.861   14.740   35.049   14.833 -0.1875534 20.91129 
1 1 1    7    3   92 o   50.829   11.313   23.699   9.3741   13.219   13.044   34.894   13.481   40.147   15.982   61.511   16.016 -21.36410 22.62550 
1 1 1    7    3   93 o   52.923   11.796   27.721   9.6014   22.691   13.472   32.914   13.687   47.744   16.790   58.102   16.572 -10.35750 23.59107 
1 1 1    7    3   94 o   48.234   11.793   24.200   9.7520   17.475   14.107   30.354   13.496   42.021   16.654   54.447   16.700 -12.42534 23.58530 
1 1 1    7    4    0 o  444.773   8.1579  1341.39   49.170   0.0000   0.0000  1341.39   49.170  ?   ?   444.773   8.1579      ?      ? 
1 1 1    7    4    1 o  238.596   4.1243  385.882   13.335  386.448   18.798  385.308   18.919  238.773   5.8096  238.419   5.8557 0.3532104 8.248684 
1 1 1    7    4    2 o  377.219   6.3900  967.675   30.731  957.388   53.303  972.796   37.611  375.650   10.471  378.787   7.3271 -3.137207 12.78000 
1 1 1    7    4    3 o  482.264   7.5126  1575.83   46.157  1584.62   80.501  1571.52   56.337  483.152   12.295  481.377   8.6363 1.774963 15.02516 
1 1 1    7    4    4 f  428.561   6.9264  1245.63   37.826  1246.99   65.867  1244.96   46.205  428.647   11.339  428.475   7.9575 0.1714172 13.85281 
1 1 1    7    4    5 o  251.575   6.1205  429.286   20.863  438.308   29.538  420.305   29.471  254.215   8.5743  248.935   8.7363 5.280014 12.24101 
1 1 1    7    4    6 o  304.364   5.7352  635.691   22.184  650.365   27.196  606.510   38.351  309.725   6.4796  299.002   9.4650 10.72327 11.47047 
1 1 1    7    4    7 o  430.034   6.9581  1255.35   38.047  1256.46   46.395  1253.07   66.483  430.428   7.9541  429.640   11.419 0.7875366 13.91613 
1 1 1    7    4    8 o  488.773   7.6172  1630.29   47.529  1648.10   58.332  1595.11   81.982  492.911   8.7329  484.635   12.483 8.276520 15.23446 
1 1 1    7    4    9 o  420.339   6.8538  1196.06   36.559  1190.85   44.440  1206.96   64.303  419.033   7.8260  421.645   11.254 -2.611755 13.70755 
1 1 1    7    4   10 o  272.091   4.3762  501.934   16.136  503.161   22.765  500.696   22.874  272.425   6.1665  271.756   6.2113 0.6694336 8.752419 
1 1 1    7    4   11 o  179.490   3.8165  218.385   9.2823  217.905   13.039  218.877   13.218  179.291   5.3665  179.690   5.4281 -0.3986206 7.633062 
1 1 1    7    4   12 o  369.561   5.1328  926.127   25.704  938.963   36.458  913.440   36.246  372.108   7.2300  367.013   7.2878 5.094574 10.26570 
1 1 1    7    4   13 o  419.942   5.5624  1195.89   31.652  1184.19   44.426  1207.96   45.108  417.857   7.8456  422.027   7.8874 -4.170685 11.12490 
1 1 1    7    4   14 o  366.250   5.1058  909.597   25.340  910.682   35.733  908.500   35.941  366.470   7.1953  366.029   7.2460 0.4412842 10.21155 
1 1 1    7    4   15 o  397.138   5.3624  1069.52   28.859  1078.57   40.845  1060.51   40.779  398.816   7.5576  395.460   7.6095 3.356171 10.72482 
1 1 1    7    4   16 o  189.584   3.9233  243.647   10.077  244.473   14.128  242.792   14.379  189.912   5.4896  189.256   5.6064 0.6556549 7.846528 
1 1 1    7    4   17 o  662.911   7.8759  2979.40   70.717  2895.53   98.136  3069.99  101.993  653.220   11.086  672.602   11.190 -19.38196 15.75189 
1 1 1    7    4   18 o  1000.75   16.056  6805.58  217.738   0.0000   0.0000  6805.58  217.738  ?   ?   1000.75   16.056      ?      ? 
1 1 1    7    4   19 o  1013.57   11.432  6979.71  157.027  6964.21  221.654  6995.32  222.487  1012.45   16.156  1014.70   16.180 -2.254272 22.86481 
1 1 1    7    4   20 o  614.008   10.438  2558.60   86.823  2515.72  120.862  2604.32  124.806  608.705   14.652  619.312   14.871 -10.60748 20.87661 
1 1 1    7    4   21 o  1014.25   16.212  6988.08  222.548  6701.25  305.498  7312.40  324.854  992.167   22.722  1036.33   23.132 -44.16766 32.42446 
1 1 1    7    4   22 o  966.625   10.946  6343.19  143.366  6426.85  204.355  6262.12  201.181  972.897   15.500  960.353   15.459 12.54407 21.89126 
1 1 1    7    4   24 o  408.939   5.5112  1133.33   30.535  1116.16   42.678  1151.33   43.707  405.768   7.7614  412.109   7.8263 -6.341583 11.02230 
1 1 1    7    4   25 o  331.798   6.9573  746.238   31.282   0.0000   0.0000  746.238   31.282  ?   ?   331.798   6.9573      ?      ? 
1 1 1    7    4   26 o  463.765   7.3164  1428.98   42.938  1540.77   77.111  1378.74   51.694  476.576   11.940  450.955   8.4592 25.62079 14.63276 
1 1 1    7    4   27 o  637.693   15.250  2760.87  131.783  2760.87  131.783   0.0000   0.0000  637.693   15.250  ?   ?       ?      ? 
1 1 1    7    4   28 o  832.170   19.148  4707.55  215.937   0.0000   0.0000  4707.55  215.937  ?   ?   832.170   19.148      ?      ? 
1 1 1    7    4   29 o  825.142   11.723  4711.94  125.454  4951.42  158.456  4309.66  205.368  854.101   13.690  796.182   19.034 57.91876 23.44640 
1 1 1    7    4   30 o  576.546   7.0496  2254.22   55.075  2287.66   78.353  2221.56   77.432  580.773   9.9555  572.320   9.9839 8.453064 14.09930 
1 1 1    7    4   31 o  498.284   6.3132  1683.66   42.628  1676.82   59.958  1690.65   60.617  497.262   8.8977  499.306   8.9587 -2.043274 12.62646 
1 1 1    7    4   32 o  404.539   7.7639  1109.60   42.562  1109.60   42.562   0.0000   0.0000  404.539   7.7639  ?   ?       ?      ? 
1 1 1    7    4   33 o  266.204   6.3153  480.387   22.782  480.387   22.782   0.0000   0.0000  266.204   6.3153  ?   ?       ?      ? 
1 1 1    7    4   34 o  645.534   10.912  2827.88   95.454  2827.88   95.454   0.0000   0.0000  645.534   10.912  ?   ?       ?      ? 
1 1 1    7    4   35 f  766.021   10.917  3890.80  105.123  4250.15  191.663  3736.18  125.720  790.268   17.897  741.775   12.507 48.49249 21.83405 
1 1 1    7    4   36 o  168.882   5.8125  193.689   13.283  203.944   18.686  183.212   18.887  173.413   7.9515  164.352   8.4802 9.060471 11.62499 
1 1 1    7    4   37 o  255.114   4.4810  441.343   15.488  445.744   21.730  436.798   22.080  256.409   6.2537  253.819   6.4194 2.590347 8.962044 
1 1 1    7    4   38 o  385.091   6.5962  997.608   32.243  981.915   39.097  1030.98   57.010  380.494   7.5825  389.688   10.796 -9.193878 13.19246 
1 1 1    7    4   39 o  479.805   7.6484  1588.83   47.187  1649.11   58.786  1479.65   79.121  492.985   8.7996  466.624   12.512 26.36063 15.29687 
1 1 1    7    4   40 o  619.258   7.4990  2603.89   62.923  2572.57   88.200  2636.34   89.795  615.471   10.575  623.044   10.635 -7.573242 14.99796 
1 1 1    7    4   41 o  496.356   12.651  1675.38   85.097  1675.38   85.097   0.0000   0.0000  496.356   12.651  ?   ?       ?      ? 
1 1 1    7    4   42 o  333.901   5.0162  756.085   22.691  782.123   32.407  731.043   31.781  339.541   7.0430  328.261   7.1445 11.28055 10.03235 
1 1 1    7    4   43 o  133.818   4.3372  121.523   7.8466  132.455   11.187  110.938   11.008  139.750   5.9074  127.886   6.3521 11.86331 8.674471 
1 1 1    7    4   44 o  297.829   5.9062  606.877   22.535  587.979   38.494  616.731   27.796  294.171   9.6563  301.488   6.8036 -7.317902 11.81237 
1 1 1    7    4   45 o  468.722   8.6538  1492.25   54.967  1492.25   54.967   0.0000   0.0000  468.722   8.6538  ?   ?       ?      ? 
1 1 1    7    4   46 o  280.668   4.6994  534.520   17.872  529.501   25.086  539.693   25.469  279.332   6.6271  282.005   6.6647 -2.673096 9.398767 
1 1 1    7    4   47 o  313.637   6.0439  673.889   24.217  685.355   29.794  651.564   41.573  317.751   6.9193  309.523   9.9114 8.227844 12.08771 
1 1 1    7    4   48 o  335.053   6.1815  748.453   26.229  723.466   31.613  803.641   46.983  326.423   7.1467  343.682   10.088 -17.25836 12.36292 
1 1 1    7    4   49 o  305.719   6.8788  634.588   28.498  634.588   28.498   0.0000   0.0000  305.719   6.8788  ?   ?       ?      ? 
1 1 1    7    4   50 o  327.395   5.0453  727.993   22.384  733.303   31.653  722.681   31.658  328.592   7.1085  326.197   7.1618 2.394318 10.09066 
1 1 1    7    4   51 o  409.819   7.9936  1141.58   44.393  1141.58   44.393   0.0000   0.0000  409.819   7.9936  ?   ?       ?      ? 
1 1 1    7    4   52 o  263.387   4.6654  470.889   16.645  490.103   23.808  452.516   23.281  268.646   6.5398  258.128   6.6555 10.51740 9.330873 
1 1 1    7    4   53 o  263.795   4.6564  472.644   16.645  472.569   23.513  472.719   23.568  263.774   6.5780  263.815   6.5923 -0.4061890E-01 9.312757 
1 1 1    7    4   54 f  119.274   4.6700   96.670   7.5449   93.312   10.670  100.029   10.670  117.197   6.7184  121.352   6.4885 -4.155121 9.340085 
1 1 1    7    4   55 o  327.186   6.2373  735.006   26.138  748.213   32.253  709.737   44.615  331.772   7.1738  322.600   10.205 9.171509 12.47453 
1 1 1    7    4   56 o  341.204   5.1909  790.617   23.985  829.961   34.593  754.192   33.285  349.374   7.3066  333.033   7.3754 16.34033 10.38184 
1 1 1    7    4   57 o  303.297   4.9583  625.109   20.372  602.254   28.494  649.008   29.137  297.621   7.0649  308.973   6.9589 -11.35236 9.916578 
1 1 1    7    4   58 o  195.799   5.4557  260.556   13.686  261.913   23.592  259.867   16.802  196.045   8.8803  195.553   6.3403 0.4925690 10.91140 
1 1 1    7    4   59 f  288.056   4.8800  564.260   19.049  566.623   27.004  561.918   26.875  288.656   6.9035  287.456   6.8991 1.200287 9.759954 
1 1 1    7    4   60 o  183.062   5.6389  229.367   13.081  224.946   22.894  231.510   15.939  181.578   9.3043  184.546   6.3735 -2.967667 11.27789 
1 1 1    7    4   61 o  188.775   4.6194  242.258   11.813  244.701   16.961  239.956   16.463  189.693   6.5980  187.858   6.4670 1.834976 9.238791 
1 1 1    7    4   62 o  131.140   4.8024  116.761   8.5230  125.577   12.341  108.722   11.785  135.870   6.7027  126.410   6.8794 9.460358 9.604827 
1 1 1    7    4   63 o  222.068   5.6994  338.062   16.182  342.036   19.900  330.304   27.802  224.232   6.5490  219.904   9.3296 4.327530 11.39874 
1 1 1    7    4   64 o   87.680   6.9326   52.136   7.8852   51.061   9.7774   54.137   13.336   86.512   8.3400   88.848   11.077 -2.335732 13.86522 
1 1 1    7    4   65 o  101.928   5.2652   70.721   7.2677   73.397   10.515   68.272   10.057  103.770   7.4773  100.086   7.4147 3.683273 10.53035 
1 1 1    7    4   66 o  121.149   5.0271   99.818   8.2325  110.248   11.922   90.312   11.382  127.205   6.9162  115.094   7.2974 12.11060 10.05415 
1 1 1    7    4   67 o  225.777   6.7003  347.378   20.500  347.378   20.500   0.0000   0.0000  225.777   6.7003  ?   ?       ?      ? 
1 1 1    7    4   68 o  180.834   4.7094  223.057   11.526  208.814   16.220  237.583   16.380  174.969   6.8408  186.698   6.4745 -11.72847 9.418850 
1 1 1    7    4   69 o  112.502   5.2228   86.315   7.9476   94.100   11.508   79.216   10.989  117.361   7.2358  107.643   7.5337 9.717819 10.44569 
1 1 1    7    4   70 o  206.572   5.6107  276.418   14.892  245.995   17.982  342.833   26.568  189.721   6.9941  223.422   8.7751 -33.70128 11.22136 
1 1 1    7    4   71 o  112.199   6.7247   88.268   9.5629   82.550   16.487   91.167   11.739  109.043   11.158  115.354   7.5098 -6.310738 13.44944 
1 1 1    7    4   72 o   98.442   5.5384   66.215   7.3583   75.217   10.799   58.413   10.053  104.693   7.6119   92.191   8.0469 12.50187 11.07678 
1 1 1    7    4   73 o  109.058   6.5621   84.168   8.9521   77.219   15.717   87.505   10.891  105.180   11.027  112.935   7.1165 -7.755089 13.12413 
1 1 1    7    4   74 o   79.572   6.1099   43.530   6.5683   48.072   9.7181   39.710   8.9122   83.378   8.6010   75.766   8.6802 7.611687 12.21976 
1 1 1    7    4   75 o   74.605   7.6742   37.682   7.1932   42.948   13.206   35.461   8.5773   77.735   12.536   71.475   8.8555 6.259277 15.34846 
1 1 1    7    4   76 o   89.642   5.6943   55.475   6.8921   62.521   10.051   49.221   9.4689   95.056   7.8027   84.228   8.2958 10.82804 11.38868 
1 1 1    7    4   77 o  102.211   5.4787   72.446   7.5843   75.521   10.764   69.414   10.688  104.407   7.6076  100.015   7.8861 4.392113 10.95748 
1 1 1    7    4   78 o  118.651   6.2172   95.765   9.4836   90.060   11.554  107.543   16.602  113.919   7.4844  123.382   9.9295 -9.463333 12.43433 
1 1 1    7    4   79 o   45.442   8.7069   15.465   5.5640   18.745   7.9406   12.300   7.7986   50.006   11.892   40.878   12.721 9.128555 17.41375 
1 1 1    7    4   80 f   57.106   7.7603   23.926   5.8721   20.879   8.2661   27.030   8.3434   52.663   11.867   61.550   10.003 -8.887196 15.52068 
1 1 1    7    4   81 o   90.418   5.7695   57.434   7.0416   64.576   10.175   50.868   9.7552   95.938   7.8262   84.897   8.4794 11.04182 11.53901 
1 1 1    7    4   82 o   37.195   8.9963   9.8510   5.5132   7.7892   7.8903   11.818   7.7067   34.645   12.762   39.745   12.683 -5.099785 17.99250 
1 1 1    7    4   83 o  110.994   5.5297   86.786   8.1262   64.420   11.116  112.462   11.910   95.173   8.6186  126.814   6.9302 -31.64071 11.05930 
1 1 1    7    4   84 o  117.718   7.1501  109.939   10.153  131.902   12.797   72.616   16.682  137.240   6.8809   98.197   12.536 39.04301 14.30027 
1 1 1    7    4   85 o  113.623   6.6685   93.942   9.6962   91.053   16.475   95.474   11.993  111.042   10.949  116.205   7.6161 -5.162521 13.33706 
1 1 1    7    4   86 o   33.923   8.9909   6.0596   6.4832  -6.0189   10.630   13.214   8.1811   26.669   12.360   41.177   13.060 -14.50743 17.98182 
1 1 1    7    4   87 o   45.573   10.092   17.278   6.9919   13.165   11.841   19.480   8.6636   41.749   15.584   49.398   12.828 -7.649342 20.18434 
1 1 1    7    4   88 o   46.818   13.407   17.858   8.9398   0.0000   0.0000   17.858   8.9398  ?   ?    46.818   13.407      ?      ? 
1 1 1    7    4   89 o   37.790   9.1152   9.4506   7.2213 -10.0243   12.291   19.716   8.9239   26.571   12.617   49.009   13.159 -22.43775 18.23039 
1 1 1    7    4   90 o   42.771   11.069   15.323   8.5032   18.645   11.820   11.760   12.242   46.048   15.751   39.493   15.558 6.555195 22.13892 
1 1 1    7    4   91 o   58.353   11.424   31.306   9.6553   22.541   13.343   40.938   13.989   48.907   16.735   67.799   15.556 -18.89262 22.84829 
1 1 1    7    4   92 o   57.532   11.549   31.757   9.6389   25.199   13.651   38.279   13.612   50.550   16.929   64.514   15.716 -13.96357 23.09878 
1 1 1    7    4   93 o   49.734   11.609   24.707   9.5865   33.191   13.549   16.202   13.566   57.988   16.470   41.480   16.366 16.50753 23.21870 
1 1 1    7    4   94 f   31.537   9.9611   3.4742   8.7393   0.8432   12.504   5.9866   12.219   30.146   13.763   32.929   14.404 -2.783184 19.92210 
1 1 1    7    5    0 o  288.513   4.5198  563.674   17.661  540.602   24.502  588.621   25.478  282.376   6.4032  294.651   6.3808 -12.27487 9.039657 
1 1 1    7    5    1 o  412.081   5.5033  1151.27   30.727  1129.74   42.978  1173.77   43.946  408.143   7.7706  416.018   7.7952 -7.874847 11.00667 
1 1 1    7    5    2 o  233.574   4.1515  369.877   13.140  371.735   18.501  367.986   18.665  234.167   5.8302  232.982   5.9117 1.185379 8.302976 
1 1 1    7    5    3 f  297.530   4.5774  600.213   18.455  602.123   26.032  598.284   26.167  298.006   6.4462  297.053   6.5004 0.9532776 9.154714 
1 1 1    7    5    4 f  146.475   3.7882  145.268   7.5144  138.541   10.439  152.503   10.826  142.960   5.3885  149.991   5.3260 -7.031219 7.576394 
1 1 1    7    5    5 o  487.490   6.1754  1611.77   40.791  1643.83   58.189  1580.79   57.198  492.255   8.7230  482.724   8.7437 9.531433 12.35087 
1 1 1    7    5    6 o  429.472   5.6541  1250.90   32.905  1241.12   46.222  1260.94   46.853  427.772   7.9736  431.172   8.0186 -3.399200 11.30825 
1 1 1    7    5    7 o  381.689   6.1098  982.651   26.977  977.513   30.899  999.128   55.331  379.718   6.0047  383.660   10.642 -3.941681 12.21953 
1 1 1    7    5    8 o  197.715   4.6100  253.324   10.360  244.169   11.692  286.786   22.353  189.801   4.5456  205.630   8.0216 -15.82831 9.220047 
1 1 1    7    5    9 o  552.616   7.9040  2091.39   51.227  2109.95   59.273  2036.59  101.829  557.771   7.8418  547.460   13.726 10.31165 15.80797 
1 1 1    7    5   10 o  560.045   8.0009  2151.00   52.610  2173.35   60.931  2085.54  104.289  566.089   7.9428  554.001   13.891 12.08813 16.00186 
1 1 1    7    5   11 o  384.920   6.1311  992.595   27.248  981.556   31.137  1028.69   56.306  380.512   6.0384  389.328   10.672 -8.815674 12.26215 
1 1 1    7    5   12 o  562.065   9.7666  2143.30   74.390   0.0000   0.0000  2143.30   74.390  ?   ?   562.065   9.7666      ?      ? 
1 1 1    7    5   13 o  393.133   5.3477  1047.88   28.488  1039.51   40.039  1056.46   40.542  391.544   7.5461  394.723   7.5794 -3.178894 10.69537 
1 1 1    7    5   14 o  529.822   6.5771  1903.79   47.219  1887.04   66.324  1920.99   67.241  527.462   9.2790  532.183   9.3238 -4.720947 13.15417 
1 1 1    7    5   15 o  607.659   8.9160  2458.67   68.534  2638.25  123.029  2377.86   82.525  623.263   14.566  592.056   10.286 31.20673 17.83192 
1 1 1    7    5   16 o  498.507   7.6589  1678.60   48.846  1707.78   84.724  1664.07   59.782  501.642   12.463  495.373   8.9054 6.268799 15.31789 
1 1 1    7    5   17 o  645.154   9.4363  2863.73   78.721  2691.76  130.772  2961.46   98.585  629.579   15.328  660.728   11.010 -31.14905 18.87252 
1 1 1    7    5   18 o  796.317   9.1995  4303.25   99.273  4312.75  140.465  4293.77  140.320  797.196   13.002  795.438   13.018 1.758179 18.39891 
1 1 1    7    5   19 o  885.842   10.117  5325.71  121.433  5398.87  173.097  5254.81  170.398  891.830   14.323  879.854   14.291 11.97540 20.23316 
1 1 1    7    5   20 o  670.541   9.7755  3062.67   83.793  3085.50  102.884  3017.69  144.406  674.452   11.257  666.631   15.985 7.821045 19.55103 
1 1 1    7    5   21 o  632.709   7.5891  2714.97   65.067  2700.75   91.583  2729.46   92.462  631.038   10.710  634.380   10.755 -3.342041 15.17815 
1 1 1    7    5   22 o  633.890   7.6119  2723.46   65.363  2658.21   90.977  2793.08   93.972  626.050   10.724  641.731   10.806 -15.68024 15.22375 
1 1 1    7    5   23 o  949.200   10.795  6116.17  138.850  6176.74  197.466  6056.94  195.279  953.847   15.277  944.554   15.256 9.293335 21.59007 
1 1 1    7    5   24 o  890.467   12.475  5408.35  142.397  5454.03  175.393  5320.01  243.903  896.393   14.439  884.541   20.348 11.85236 24.95016 
1 1 1    7    5   25 o  565.828   13.850  2172.92  106.197   0.0000   0.0000  2172.92  106.197  ?   ?   565.828   13.850      ?      ? 
1 1 1    7    5   26 o  616.632   7.4327  2574.62   62.054  2476.35   85.589  2683.53   90.099  604.251   10.452  629.013   10.570 -24.76190 14.86541 
1 1 1    7    5   27 o  537.810   8.2066  1977.06   56.710  1915.14   96.290  2009.95   70.170  531.203   13.376  544.418   9.5113 -13.21515 16.41317 
1 1 1    7    5   28 o  183.366   5.9519  227.898   14.789   0.0000   0.0000  227.898   14.789  ?   ?   183.366   5.9519      ?      ? 
1 1 1    7    5   29 o  440.802   5.8110  1317.18   34.706  1301.74   48.528  1333.34   49.654  438.161   8.1729  443.444   8.2629 -5.282562 11.62204 
1 1 1    7    5   30 o  684.329   8.1034  3177.75   75.148  3190.10  106.308  3165.42  106.241  685.660   11.441  682.999   11.479 2.660950 16.20687 
1 1 1    7    5   31 o  404.976   5.5232  1112.10   30.309  1125.41   42.861  1098.79   42.867  407.402   7.7635  402.551   7.8581 4.851379 11.04638 
1 1 1    7    5   32 o  580.458   7.1028  2285.65   55.867  2267.59   78.436  2304.24   79.591  578.134   10.012  582.783   10.078 -4.649048 14.20562 
1 1 1    7    5   33 o  742.888   8.6995  3746.36   87.570  3701.25  122.734  3793.15  124.981  738.338   12.267  747.439   12.339 -9.100830 17.39906 
1 1 1    7    5   34 o  575.267   7.0679  2244.79   55.089  2209.39   77.047  2281.82   78.799  570.630   9.9637  579.903   10.027 -9.273254 14.13578 
1 1 1    7    5   35 o  460.747   6.0295  1439.59   37.640  1418.64   52.652  1461.50   53.830  457.321   8.4959  464.174   8.5578 -6.853729 12.05893 
1 1 1    7    5   36 o  618.785   7.4885  2599.18   62.794  2602.61   88.650  2595.74   88.958  619.196   10.565  618.373   10.616 0.8233032 14.97709 
1 1 1    7    5   38 o  395.387   7.7495  1060.45   41.484  1126.21   59.735  999.195   57.655  407.223   10.825  383.551   11.092 23.67230 15.49890 
1 1 1    7    5   39 o  354.313   7.3264  852.139   35.150  899.784   50.292  806.637   49.148  364.003   10.196  344.622   10.524 19.38098 14.65270 
1 1 1    7    5   40 o  375.104   7.5198  955.683   38.218  943.862   53.452  968.047   54.665  372.737   10.582  377.472   10.687 -4.735321 15.03961 
1 1 1    7    5   41 o  558.647   13.917  2125.25  105.361   0.0000   0.0000  2125.25  105.361  ?   ?   558.647   13.917      ?      ? 
1 1 1    7    5   42 o  453.360   6.0009  1395.22   36.863  1427.16   52.505  1364.18   51.766  458.479   8.4508  448.241   8.5221 10.23767 12.00179 
1 1 1    7    5   43 o  277.406   4.6833  522.149   17.602  535.612   24.949  508.806   24.837  280.970   6.5525  273.841   6.6930 7.128845 9.366566 
1 1 1    7    5   44 o  411.759   8.0239  1152.50   44.748  1112.21   62.091  1196.04   64.547  404.280   11.333  419.237   11.361 -14.95599 16.04771 
1 1 1    7    5   45 o  319.658   7.0436  693.874   30.486  734.411   43.971  656.352   42.304  328.646   9.8731  310.670   10.048 17.97556 14.08724 
1 1 1    7    5   46 o  262.890   4.6056  469.078   16.406  471.860   23.091  466.243   23.314  263.681   6.4622  262.100   6.5639 1.580811 9.211127 
1 1 1    7    5   47 o  293.727   6.7500  585.681   26.868  585.681   26.868   0.0000   0.0000  293.727   6.7500  ?   ?       ?      ? 
1 1 1    7    5   48 o  453.030   6.0239  1394.80   36.977  1377.30   51.800  1412.98   52.802  450.138   8.4919  455.922   8.5462 -5.783875 12.04783 
1 1 1    7    5   49 f  238.100   4.5360  384.646   14.631  374.078   20.413  395.811   20.982  234.738   6.4173  241.461   6.4124 -6.723022 9.071974 
1 1 1    7    5   50 o  206.556   4.4332  289.682   12.405  298.722   17.586  280.728   17.502  209.769   6.1864  203.343   6.3514 6.426208 8.866359 
1 1 1    7    5   51 o  418.487   5.7738  1190.36   32.736  1167.61   45.717  1214.29   46.898  414.390   8.1411  422.583   8.1896 -8.193146 11.54757 
1 1 1    7    5   52 o  400.620   5.6277  1091.34   30.552  1089.83   43.048  1092.88   43.366  400.344   7.9349  400.896   7.9825 -0.5512085 11.25533 
1 1 1    7    5   53 o  208.540   4.4828  295.378   12.668  296.181   17.863  294.566   17.968  208.827   6.3122  208.253   6.3668 0.5742188 8.965527 
1 1 1    7    5   54 o  368.778   7.5976  924.816   37.969  924.816   37.969   0.0000   0.0000  368.778   7.5976  ?   ?       ?      ? 
1 1 1    7    5   55 o  329.023   7.2278  736.568   32.168  801.415   46.761  678.311   44.322  342.767   10.067  315.279   10.374 27.48804 14.45566 
1 1 1    7    5   56 o  218.127   6.3998  324.107   18.913  318.527   26.425  329.968   27.082  216.207   9.0191  220.047   9.0821 -3.839813 12.79950 
1 1 1    7    5   57 o  162.864   4.5213  180.246   9.9758  174.397   14.033  186.221   14.184  160.188   6.4646  165.540   6.3227 -5.352478 9.042580 
1 1 1    7    5   58 o  225.022   4.6063  344.089   14.040  358.715   20.040  329.988   19.676  229.726   6.4372  220.319   6.5904 9.407104 9.212522 
1 1 1    7    5   59 o  259.673   6.7424  458.548   23.726  458.548   23.726   0.0000   0.0000  259.673   6.7424  ?   ?       ?      ? 
1 1 1    7    5   60 o  208.584   6.6009  295.867   18.658  295.867   18.658   0.0000   0.0000  208.584   6.6009  ?   ?       ?      ? 
1 1 1    7    5   61 o  240.500   6.7445  394.647   21.967  414.781   31.579  375.771   30.577  246.454   9.4555  234.546   9.6201 11.90742 13.48897 
1 1 1    7    5   62 o  150.638   4.7567  154.420   9.7003  163.525   13.801  145.531   13.637  155.042   6.5687  146.234   6.8815 8.807663 9.513327 
1 1 1    7    5   63 o   51.307   8.3368   18.889   5.6775   17.029   8.2724   20.546   7.8062   48.834   12.460   53.780   11.080 -4.946350 16.67364 
1 1 1    7    5   64 o  117.979   5.0512   94.822   8.0744   94.898   11.528   94.748   11.313  118.020   7.2077  117.938   7.0787 0.8209229E-01 10.10242 
1 1 1    7    5   65 o  143.091   4.8504  139.392   9.4021  143.973   13.499  135.075   13.103  145.374   6.8523  140.808   6.8668 4.565765 9.700846 
1 1 1    7    5   66 o  165.200   5.8310  187.615   12.381  190.077   15.316  182.975   21.030  167.004   6.7677  163.396   9.4975 3.607498 11.66207 
1 1 1    7    5   67 o  153.081   5.9004  158.044   11.502  167.049   20.299  153.786   13.960  156.005   9.6018  150.156   6.8604 5.848785 11.80087 
1 1 1    7    5   68 o  119.472   5.1565   97.642   8.3369   94.386   11.974  100.706   11.615  117.505   7.5197  121.439   7.0577 -3.933800 10.31293 
1 1 1    7    5   69 o  122.044   5.0512  101.666   8.3475  106.169   12.092   97.567   11.538  124.619   7.1604  119.469   7.1266 5.150200 10.10249 
1 1 1    7    5   70 o   26.395   11.645  -2.1145   8.1409  -2.1145   8.1409   0.0000   0.0000   26.395   11.645  ?   ?       ?      ? 
1 1 1    7    5   71 o   96.449   7.9521   65.112   10.317   61.248   15.251   68.373   14.009   93.611   12.022   99.286   10.412 -5.675163 15.90414 
1 1 1    7    5   72 o   73.257   6.5096   37.226   6.4399   34.225   9.1970   40.114   9.0203   70.276   9.6573   76.237   8.7312 -5.961487 13.01912 
1 1 1    7    5   73 o   86.582   5.8658   51.675   6.8734   55.499   9.9061   48.125   9.5450   89.694   8.1500   83.470   8.4385 6.224007 11.73157 
1 1 1    7    5   74 o  116.002   5.2069   92.578   8.1770   98.566   11.768   86.989   11.370  119.651   7.2579  112.353   7.4680 7.298256 10.41381 
1 1 1    7    5   75 o  133.576   5.1203  122.911   9.2585  131.202   13.327  115.176   12.872  137.961   7.1284  129.191   7.3524 8.770233 10.24069 
1 1 1    7    5   76 o   90.828   9.0132   60.513   10.431   42.840   14.472   79.623   15.049   75.441   14.685  106.215   10.455 -30.77431 18.02636 
1 1 1    7    5   77 f  107.037   5.4064   79.591   7.8371   76.900   11.126   82.241   11.041  105.185   7.8057  108.888   7.4824 -3.702698 10.81276 
1 1 1    7    5   78 o   79.712   6.3527   44.727   6.8452   41.018   9.6407   48.498   9.7209   76.263   9.3285   83.162   8.6258 -6.899078 12.70535 
1 1 1    7    5   79 o  153.284   6.8706  163.104   14.272  163.104   14.272   0.0000   0.0000  153.284   6.8706  ?   ?       ?      ? 
1 1 1    7    5   80 o   65.073   7.1717   30.368   6.3200   30.334   8.7810   30.404   9.1034   65.102   9.9533   65.044   10.328 0.5811310E-01 14.34344 
1 1 1    7    5   81 o   79.229   6.3131   44.600   6.7317   38.162   9.3483   51.533   9.7015   73.074   9.4404   85.384   8.3845 -12.31076 12.62620 
1 1 1    7    5   82 o   29.353   8.4336   3.4394   5.2774   2.0442   7.4432   4.8497   7.4836   27.899   11.694   30.808   12.155 -2.909283 16.86724 
1 1 1    7    5   83 o   86.674   6.1765   53.665   7.2113   61.018   10.320   46.650   10.080   92.737   8.2122   80.611   9.2279 12.12546 12.35295 
1 1 1    7    5   84 f   57.049   9.3367   26.167   6.9963   22.161   11.842   28.315   8.6714   51.838   15.590   62.260   10.278 -10.42168 18.67335 
1 1 1    7    5   85 o   47.962   10.864   18.861   8.0505   21.208   11.195   16.348   11.585   50.715   15.137   45.210   15.588 5.504349 21.72848 
1 1 1    7    5   86 o   73.741   8.8744   45.008   7.8651   32.825   13.140   51.810   9.8182   62.553   15.564   84.928   8.5310 -22.37543 17.74882 
1 1 1    7    5   87 o   38.372   10.116   9.1801   6.8615   16.654   11.731   5.2937   8.4594   44.983   15.676   31.761   12.792 13.22153 20.23285 
1 1 1    7    5   88 o   33.021   10.103   1.9480   8.4827  -3.6058   11.656   8.2009   12.368   28.852   13.216   37.190   15.284 -8.337841 20.20530 
1 1 1    7    5   89 o   61.345   16.364   33.795   13.855   0.0000   0.0000   33.795   13.855  ?   ?    61.345   16.364      ?      ? 
1 1 1    7    5   90 o   42.173   10.433   10.843   9.1535  -7.2507   12.923   29.061   12.967   28.059   13.206   56.286   16.155 -28.22714 20.86601 
1 1 1    7    5   91 o   68.219   11.283   43.261   10.402   33.841   14.869   52.291   14.558   58.578   17.436   77.860   14.326 -19.28204 22.56631 
1 1 1    7    5   92 o   41.349   11.311   15.029   9.3836   8.0461   13.236   22.084   13.305   35.646   15.291   47.051   16.671 -11.40532 22.62163 
1 1 1    7    5   93 o   33.976   9.9744   2.7748   8.5920   19.335   12.668 -11.3320   11.692   43.774   16.162   24.178   11.693 19.59596 19.94879 
1 1 1    7    6    0 o  354.621   5.0555  852.730   24.294  851.646   34.245  853.827   34.472  354.395   7.1305  354.847   7.1686 -0.4519653 10.11109 
1 1 1    7    6    1 o  601.772   7.2880  2454.91   59.400  2544.76   85.713  2371.89   82.394  612.353   10.329  591.192   10.285 21.16101 14.57606 
1 1 1    7    6    2 o  529.083   6.5912  1896.34   47.222  1823.49   65.281  1976.29   68.391  518.443   9.2919  539.722   9.3507 -21.27954 13.18237 
1 1 1    7    6    3 o  354.482   5.0533  851.987   24.274  846.432   34.139  857.667   34.520  353.314   7.1304  355.650   7.1626 -2.335999 10.10666 
1 1 1    7    6    4 o  537.790   6.6638  1962.07   48.564  1973.95   68.816  1950.28   68.544  539.413   9.4143  536.167   9.4338 3.245789 13.32762 
1 1 1    7    6    5 o  310.952   4.7221  655.555   19.897  662.764   28.159  648.367   28.119  312.660   6.6460  309.244   6.7098 3.416199 9.444133 
1 1 1    7    6    6 o  578.315   7.0474  2269.01   55.229  2287.13   78.373  2251.13   77.840  580.610   9.9609  576.021   9.9720 4.588562 14.09471 
1 1 1    7    6    7 o  447.920   5.8488  1360.62   35.501  1364.02   50.132  1357.20   50.281  448.481   8.2488  447.358   8.2940 1.123474 11.69762 
1 1 1    7    6    8 o  476.226   7.4867  1514.60   44.787  1476.00   53.692  1602.89   81.204  466.525   8.4929  485.927   12.332 -19.40125 14.97337 
1 1 1    7    6    9 o  605.149   8.9955  2490.83   69.273  2500.17   84.603  2471.83  120.671  607.071   10.284  603.226   14.762 3.845276 17.99092 
1 1 1    7    6   10 o  768.105   10.976  4040.29  108.041  4109.34  133.340  3908.30  184.352  778.081   12.646  758.129   17.944 19.95172 21.95254 
1 1 1    7    6   11 o  436.295   7.0423  1256.82   38.396  1205.89   45.687  1379.29   70.850  421.728   7.9942  450.863   11.596 -29.13513 14.08456 
1 1 1    7    6   12 o  424.097   6.5812  1221.13   32.453  1222.47   37.316  1216.97   65.740  424.669   6.4844  423.524   11.454 1.145386 13.16234 
1 1 1    7    6   13 f  904.799   11.942  5533.46  125.969  5506.17  144.831  5618.23  255.279  900.862   11.864  908.737   20.730 -7.875977 23.88446 
1 1 1    7    6   14 o  614.570   10.514  2561.73   87.563   0.0000   0.0000  2561.73   87.563  ?   ?   614.570   10.514      ?      ? 
1 1 1    7    6   15 o  403.965   5.4720  1105.97   29.951  1087.68   41.908  1125.06   42.820  400.552   7.7206  407.377   7.7566 -6.824646 10.94407 
1 1 1    7    6   16 o  679.984   8.0619  3133.86   74.256  3046.98  103.183  3227.20  106.945  670.218   11.361  689.749   11.442 -19.53040 16.12381 
1 1 1    7    6   17 o  774.706   8.9922  4072.14   94.403  4071.32  133.371  4072.96  133.641  774.629   12.705  774.783   12.728 -0.1541748 17.98436 
1 1 1    7    6   18 o  446.281   7.2419  1362.25   41.272  1386.10   50.755  1315.71   70.908  452.163   8.2833  440.399   11.881 11.76422 14.48375 
1 1 1    7    6   19 o  987.952   13.749  6664.88  173.900  6728.89  213.983  6540.39  298.436  995.492   15.862  980.412   22.463 15.07953 27.49860 
1 1 1    7    6   20 o  860.573   19.727  5034.38  230.058   0.0000   0.0000  5034.38  230.058  ?   ?   860.573   19.727      ?      ? 
1 1 1    7    6   21 o  601.312   8.8823  2401.21   67.342  2316.34   80.811  2594.07  121.823  584.430   10.204  618.194   14.542 -33.76349 17.76463 
1 1 1    7    6   22 o  644.279   7.7078  2813.64   67.271  2748.47   93.614  2883.24   96.734  636.572   10.852  651.986   10.949 -15.41418 15.41554 
1 1 1    7    6   23 o  575.269   7.0419  2243.33   54.883  2201.76   76.576  2287.23   78.700  569.795   9.9172  580.744   10.000 -10.94904 14.08388 
1 1 1    7    6   24 o  290.010   4.6445  570.175   18.249  574.162   25.604  566.058   26.018  291.042   6.4918  288.978   6.6439 2.063751 9.289003 
1 1 1    7    6   25 o  329.047   7.0479  733.967   31.427   0.0000   0.0000  733.967   31.427  ?   ?   329.047   7.0479      ?      ? 
1 1 1    7    6   26 o  955.972   13.311  6040.52  159.180  6665.77  293.472  5779.89  189.474  989.431   21.888  922.514   15.156 66.91681 26.62295 
1 1 1    7    6   27 o  1143.56   15.792  9050.75  233.947  8402.34  385.512  9428.74  294.341  1109.64   25.637  1177.47   18.447 -67.83203 31.58393 
1 1 1    7    6   28 o  829.929   9.5851  4671.92  107.736  4535.77  149.253  4820.02  155.674  817.329   13.475  842.529   13.635 -25.20044 19.17017 
1 1 1    7    6   29 o  444.569   8.3786  1340.30   50.477   0.0000   0.0000  1340.30   50.477  ?   ?   444.569   8.3786      ?      ? 
1 1 1    7    6   30 o  643.742   7.7175  2811.85   67.318  2785.90   94.435  2838.67   95.989  640.725   10.876  646.758   10.952 -6.032837 15.43505 
1 1 1    7    6   31 o  903.671   10.340  5548.89  126.615  5505.91  177.908  5593.00  180.235  900.132   14.585  907.210   14.660 -7.077881 20.67975 
1 1 1    7    6   32 o  533.137   6.6767  1928.04   48.233  1963.66   68.659  1893.34   67.772  537.999   9.4174  528.275   9.4669 9.723999 13.35331 
1 1 1    7    6   33 o  437.436   5.8494  1297.23   34.664  1272.26   48.292  1323.78   49.786  433.098   8.2283  441.774   8.3162 -8.675690 11.69888 
1 1 1    7    6   34 o  536.073   8.2222  1971.29   56.833  1885.98   95.459  2018.13   70.736  526.805   13.372  545.341   9.5717 -18.53638 16.44432 
1 1 1    7    6   35 f  324.763   6.0704  724.302   25.456  686.171   42.515  745.614   31.784  317.950   9.8673  331.577   7.0736 -13.62717 12.14079 
1 1 1    7    6   36 o  582.652   10.124  2304.86   79.936  2304.86   79.936   0.0000   0.0000  582.652   10.124  ?   ?       ?      ? 
1 1 1    7    6   37 o  610.973   10.539  2535.32   87.261   0.0000   0.0000  2535.32   87.261  ?   ?   610.973   10.539      ?      ? 
1 1 1    7    6   38 o  511.654   6.5179  1776.56   45.179  1746.57   62.974  1808.38   64.853  507.211   9.1620  516.096   9.2730 -8.884430 13.03578 
1 1 1    7    6   39 o  215.242   5.4999  317.809   14.912  323.888   18.118  305.042   26.256  218.531   6.1180  211.953   9.1414 6.578308 10.99973 
1 1 1    7    6   41 o  442.642   7.2464  1321.28   40.697  1302.26   49.347  1361.70   71.958  437.943   8.3150  447.341   11.870 -9.397247 14.49280 
1 1 1    7    6   42 o  351.102   6.3878  839.538   28.551  843.512   34.891  831.484   49.670  352.525   7.3037  349.679   10.482 2.845764 12.77556 
1 1 1    7    6   43 o  587.665   7.2527  2348.61   57.757  2370.49   81.909  2326.97   81.453  590.391   10.238  584.938   10.276 5.452820 14.50537 
1 1 1    7    6   44 o  455.534   8.5387  1413.69   52.706  1439.17   74.878  1388.67   74.202  459.614   12.022  451.455   12.129 8.159332 17.07732 
1 1 1    7    6   45 o  327.874   7.1850  729.571   31.883  776.066   46.442  688.126   43.848  337.730   10.148  318.017   10.175 19.71362 14.36992 
1 1 1    7    6   46 o  114.017   4.7229   88.324   7.2873   89.789   10.095   86.729   10.530  115.012   6.4772  113.022   6.8753 1.989525 9.445817 
1 1 1    7    6   48 o  359.122   5.2945  876.286   25.764  882.668   36.321  869.821   36.553  360.445   7.4358  357.799   7.5388 2.646118 10.58892 
1 1 1    7    6   49 f  228.951   6.3380  355.908   19.664  355.908   19.664   0.0000   0.0000  228.951   6.3380  ?   ?       ?      ? 
1 1 1    7    6   50 o  179.554   4.4319  218.431   10.771  206.035   14.853  232.183   15.644  174.191   6.2921  184.917   6.2430 -10.72632 8.863773 
1 1 1    7    6   51 o  119.693   4.7046   97.311   7.6252   97.102   10.576   97.537   11.004  119.565   6.5275  119.821   6.7769 -0.2563400 9.409234 
1 1 1    7    6   52 o  247.027   6.5194  414.540   21.824  414.540   21.824   0.0000   0.0000  247.027   6.5194  ?   ?       ?      ? 
1 1 1    7    6   53 o  250.402   5.6457  427.590   18.236  423.258   30.875  429.911   22.599  249.267   9.1402  251.537   6.6298 -2.269608 11.29144 
1 1 1    7    6   54 o  106.624   4.9787   77.290   7.1931   77.483   10.114   77.092   10.232  106.761   6.9906  106.486   7.0909 0.2744522 9.957376 
1 1 1    7    6   55 o   60.726   7.1310   25.735   5.6756   29.851   8.0215   21.609   8.0316   66.187   8.9434   55.265   11.110 10.92218 14.26207 
1 1 1    7    6   56 o   94.797   6.6381   62.534   7.9414   64.910   9.7183   57.760   13.778   97.681   7.3417   91.912   11.061 5.769096 13.27619 
1 1 1    7    6   57 o  306.541   5.0226  639.212   20.862  651.881   29.547  626.619   29.459  309.580   7.0430  303.502   7.1627 6.077881 10.04527 
1 1 1    7    6   58 o  165.368   4.7286  186.076   10.590  190.808   14.853  181.183   15.103  167.520   6.5430  163.215   6.8284 4.305008 9.457184 
1 1 1    7    6   59 o  120.400   6.3977  103.715   9.6361  113.394   11.909   85.362   16.399  129.112   6.8066  111.688   10.835 17.42445 12.79536 
1 1 1    7    6   60 o  188.072   4.6318  240.611   11.802  247.475   16.707  233.776   16.673  190.759   6.4630  185.385   6.6367 5.373810 9.263695 
1 1 1    7    6   61 o  129.684   6.0569  111.069   9.9044  124.731   18.053  105.185   11.847  135.062   9.8633  124.307   7.0326 10.75547 12.11374 
1 1 1    7    6   62 o  110.639   7.2740   84.023   10.875   80.379   15.764   87.332   15.021  108.292   10.742  112.985   9.8108 -4.693695 14.54799 
1 1 1    7    6   63 f  175.693   5.8454  213.989   13.137  200.393   22.285  221.230   16.263  171.122   9.6100  180.263   6.6574 -9.140945 11.69074 
1 1 1    7    6   64 o  181.070   6.8666  223.382   16.849  223.382   16.849   0.0000   0.0000  181.070   6.8666  ?   ?       ?      ? 
1 1 1    7    6   65 o  213.181   4.7552  309.251   13.722  330.113   19.805  289.986   19.031  220.101   6.6399  206.260   6.8088 13.84062 9.510413 
1 1 1    7    6   66 o  381.117   7.9482  993.074   41.050  993.074   41.050   0.0000   0.0000  381.117   7.9482  ?   ?       ?      ? 
1 1 1    7    6   67 f  220.834   6.7643  332.838   20.243  332.838   20.243   0.0000   0.0000  220.834   6.7643  ?   ?       ?      ? 
1 1 1    7    6   68 o  117.416   6.8330  101.847   9.7936   77.306   16.903  114.248   12.016  105.518   11.821  129.315   6.8569 -23.79713 13.66604 
1 1 1    7    6   69 o  112.216   6.5959   87.602   9.2546   84.606   16.508   88.976   11.176  110.427   11.032  114.006   7.2339 -3.579773 13.19180 
1 1 1    7    6   70 o  120.968   5.1452  100.354   8.4299   97.143   11.965  103.518   11.878  119.019   7.4188  122.918   7.1311 -3.899162 10.29035 
1 1 1    7    6   71 o   53.591   9.1415   22.153   6.7993   27.648   8.5833   12.896   11.141   63.102   10.038   44.081   15.281 19.02171 18.28293 
1 1 1    7    6   72 o   75.706   7.7282   40.035   7.5875   39.857   9.4522   40.356   12.723   75.821   9.1995   75.591   12.420 0.2300262 15.45632 
1 1 1    7    6   73 o  123.575   5.1921  105.110   8.6902  103.004   12.059  107.385   12.535  122.306   7.2758  124.844   7.4090 -2.537552 10.38411 
1 1 1    7    6   74 f  118.566   6.4434   96.131   9.7732   92.551   11.897  103.560   17.138  115.738   7.5856  121.393   10.418 -5.655121 12.88690 
1 1 1    7    6   75 f  134.428   5.0312  124.720   9.1605  119.266   12.787  130.470   13.129  131.387   7.1820  137.469   7.0479 -6.081879 10.06244 
1 1 1    7    6   76 o   75.965   7.6553   38.109   7.5633   52.600   13.155   30.953   9.2437   85.815   11.312   66.116   10.317 19.69853 15.31055 
1 1 1    7    6   77 o   84.946   7.3884   51.924   8.0132   49.645   13.648   53.123   9.8990   82.772   12.168   87.120   8.3847 -4.348396 14.77683 
1 1 1    7    6   78 o   41.255   9.0467   12.467   5.7938   7.9832   8.2881   16.751   8.1024   35.504   13.079   47.006   12.502 -11.50240 18.09348 
1 1 1    7    6   79 o  120.103   5.2243  100.766   8.5015   98.743   12.019  102.793   12.027  118.859   7.4619  121.346   7.3140 -2.486176 10.44865 
1 1 1    7    6   80 o   78.741   6.3323   44.124   6.7476   45.523   9.4112   42.644   9.6796   80.145   8.6654   77.338   9.2360 2.807144 12.66461 
1 1 1    7    6   81 o   72.644   6.7148   37.923   6.5974   40.151   9.2783   35.644   9.3828   74.957   9.1342   70.331   9.8447 4.626274 13.42956 
1 1 1    7    6   82 o   76.889   7.8132   42.765   7.8033   45.976   13.194   41.037   9.6772   78.268   12.440   75.510   9.4572 2.758148 15.62646 
1 1 1    7    6   83 o   41.444   9.7907   10.073   6.5760   22.731   11.436   3.8202   8.0378   52.661   15.188   30.227   12.360 22.43387 19.58144 
1 1 1    7    6   84 o   36.257   9.8421   8.4006   6.6199   9.0003   10.901   8.0502   8.3321   37.651   14.727   34.864   13.061 2.786366 19.68411 
1 1 1    7    6   85 o   43.336   11.023   14.730   8.2866   16.135   11.388   13.149   12.080   44.752   15.454   41.921   15.722 2.831345 22.04541 
1 1 1    7    6   86 o   61.927   15.556   32.513   13.038   32.513   13.038   0.0000   0.0000   61.927   15.556  ?   ?       ?      ? 
1 1 1    7    6   87 o   72.248   10.650   43.925   10.437   26.477   14.347   63.538   15.211   54.045   17.312   90.451   12.410 -36.40677 21.30000 
1 1 1    7    6   88 o   37.980   10.794   9.0971   8.7382   3.5315   12.270   14.825   12.447   33.482   14.544   42.478   15.954 -8.995609 21.58790 
1 1 1    7    6   89 o   43.392   11.642   16.262   9.5081   13.405   13.664   18.944   13.239   41.013   16.348   45.772   16.580 -4.758858 23.28392 
1 1 1    7    6   90 o   48.038   16.822   22.163   13.517   0.0000   0.0000   22.163   13.517  ?   ?    48.038   16.822      ?      ? 
1 1 1    7    6   91 o   49.830   11.936   24.971   9.6355   23.143   13.904   26.660   13.365   47.912   17.035   51.748   16.723 -3.836288 23.87121 
1 1 1    7    6   92 o   38.929   10.993   13.041   9.0712   6.7383   12.919   19.171   12.740   34.105   14.868   43.754   16.197 -9.648766 21.98648 
1 1 1    7    7    0 o  544.782   8.2847  2050.48   58.559  1880.74   95.863  2151.53   73.963  526.343   13.440  563.221   9.6907 -36.87781 16.56933 
1 1 1    7    7    1 o  899.194   10.299  5465.54  125.180  5861.93  185.135  5131.68  169.907  929.072   14.705  869.316   14.423 59.75598 20.59723 
1 1 1    7    7    2 o  1042.66   11.759  7382.75  166.097  7219.09  231.276  7557.08  238.693  1030.74   16.558  1054.57   16.702 -23.82690 23.51867 
1 1 1    7    7    3 o  1103.49   12.401  8267.39  185.322  8018.12  256.665  8538.89  267.862  1086.15   17.438  1120.83   17.635 -34.67859 24.80102 
1 1 1    7    7    4 o  760.799   10.877  3902.59  105.083  4012.50  185.400  3850.57  127.550  768.330   17.806  753.267   12.495 15.06207 21.75327 
1 1 1    7    7    5 o  483.680   7.6491  1596.07   47.359  1558.85   81.211  1615.26   58.299  479.291   12.504  488.069   8.8144 -8.778717 15.29814 
1 1 1    7    7    6 o  511.825   7.9795  1802.55   52.566  1693.67   88.197  1862.54   65.464  499.564   13.028  524.086   9.2175 -24.52298 15.95908 
1 1 1    7    7    7 o  869.260   12.222  5127.04  135.557  5154.00  235.660  5113.71  165.717  870.567   19.976  867.954   14.089 2.613281 24.44453 
1 1 1    7    7    8 o  937.252   15.140  5973.01  192.224  5840.10  267.632  6114.63  276.266  926.506   21.316  947.998   21.505 -21.49200 30.27929 
1 1 1    7    7    9 o  1004.91   13.963  6874.92  179.224  6892.98  219.628  6838.91  310.074  1007.47   16.087  1002.35   22.828 5.119873 27.92676 
1 1 1    7    7   10 o  785.957   11.218  4201.84  112.565  4216.17  137.900  4173.24  194.866  788.257   12.910  783.656   18.350 4.600891 22.43583 
1 1 1    7    7   11 o  467.146   7.5088  1494.98   44.794  1525.95   55.137  1434.83   76.826  474.414   8.5763  459.877   12.328 14.53668 15.01753 
1 1 1    7    7   12 o  845.266   11.946  4851.86  128.733  4850.12  157.338  4855.39  223.905  845.382   13.734  845.149   19.550 0.2325439 23.89198 
1 1 1    7    7   13 o  551.297   8.4366  2076.60   59.394  2106.94   72.985  2017.12  102.196  557.415   9.6621  545.179   13.833 12.23566 16.87319 
1 1 1    7    7   14 o  455.625   8.3878  1407.42   51.789  1407.42   51.789   0.0000   0.0000  455.625   8.3878  ?   ?       ?      ? 
1 1 1    7    7   15 o  482.868   8.7300  1580.84   57.125  1580.84   57.125   0.0000   0.0000  482.868   8.7300  ?   ?       ?      ? 
1 1 1    7    7   16 o  253.903   5.0833  436.900   17.490  436.900   17.490   0.0000   0.0000  253.903   5.0833  ?   ?       ?      ? 
1 1 1    7    7   17 o  196.938   4.1703  262.910   11.128  265.960   15.659  259.799   15.817  198.093   5.8331  195.784   5.9615 2.309113 8.340524 
1 1 1    7    7   18 o  495.081   6.3094  1661.88   42.329  1676.06   59.974  1647.80   59.752  497.186   8.9014  492.975   8.9442 4.210938 12.61878 
1 1 1    7    7   19 o  783.760   12.944  4168.35  137.483   0.0000   0.0000  4168.35  137.483  ?   ?   783.760   12.944      ?      ? 
1 1 1    7    7   20 f  571.983   7.0518  2217.21   54.638  2162.28   75.988  2276.00   78.619  564.656   9.9307  579.310   10.015 -14.65442 14.10363 
1 1 1    7    7   21 o  330.116   7.0540  738.740   31.556   0.0000   0.0000  738.740   31.556  ?   ?   330.116   7.0540      ?      ? 
1 1 1    7    7   22 o  231.049   4.3411  361.401   13.584  347.795   18.827  376.173   19.618  226.519   6.1334  235.579   6.1452 -9.059875 8.682250 
1 1 1    7    7   23 o  333.543   7.1066  754.196   32.122   0.0000   0.0000  754.196   32.122  ?   ?   333.543   7.1066      ?      ? 
1 1 1    7    7   24 o  551.047   8.3758  2046.75   58.753  2100.94  103.142  2020.72   71.485  556.268   13.683  545.826   9.6645 10.44257 16.75159 
1 1 1    7    7   25 o  233.987   5.3946  370.708   16.190  372.793   27.858  369.645   19.895  234.458   8.7682  233.516   6.2871 0.9414978 10.78928 
1 1 1    7    7   26 o  389.401   6.6114  1004.18   32.599  1096.20   58.630  963.006   39.221  401.940   10.764  376.861   7.6798 25.07864 13.22281 
1 1 1    7    7   28 o  874.633   14.250  5197.61  168.896   0.0000   0.0000  5197.61  168.896  ?   ?   874.633   14.250      ?      ? 
1 1 1    7    7   29 o  625.634   7.5862  2656.30   64.315  2683.85   91.292  2629.16   90.623  628.856   10.713  622.412   10.744 6.443970 15.17240 
1 1 1    7    7   30 o  301.168   5.7920  605.957   22.388  643.636   38.966  587.388   27.354  308.006   9.3356  294.329   6.8582 13.67740 11.58393 
1 1 1    7    7   31 o  155.291   5.1828  164.867   10.466  158.736   17.288  168.414   13.149  152.974   8.3395  157.609   6.1563 -4.634598 10.36565 
1 1 1    7    7   32 o  299.685   6.8580  609.030   27.851   0.0000   0.0000  609.030   27.851  ?   ?   299.685   6.8580      ?      ? 
1 1 1    7    7   33 o  303.235   6.7473  623.568   27.726  623.568   27.726   0.0000   0.0000  303.235   6.7473  ?   ?       ?      ? 
1 1 1    7    7   34 o  366.504   5.2786  910.901   26.211  898.898   36.598  923.541   37.556  364.028   7.4189  368.979   7.5109 -4.950928 10.55714 
1 1 1    7    7   35 o  367.024   5.2887  913.922   26.302  919.815   37.044  907.930   37.353  368.221   7.4237  365.827   7.5346 2.393311 10.57743 
1 1 1    7    7   36 o  518.705   9.3609  1826.88   65.799   0.0000   0.0000  1826.88   65.799  ?   ?   518.705   9.3609      ?      ? 
1 1 1    7    7   37 f  338.673   7.2506  778.239   33.277   0.0000   0.0000  778.239   33.277  ?   ?   338.673   7.2506      ?      ? 
1 1 1    7    7   38 o  260.118   6.4039  458.985   22.573  458.985   22.573   0.0000   0.0000  260.118   6.4039  ?   ?       ?      ? 
1 1 1    7    7   40 o  282.025   4.7256  538.571   18.041  512.929   24.840  567.197   26.245  274.937   6.6670  289.113   6.6989 -14.17661 9.451162 
1 1 1    7    7   41 o  237.530   6.4645  382.855   20.808   0.0000   0.0000  382.855   20.808  ?   ?   237.530   6.4645      ?      ? 
1 1 1    7    7   42 o  191.888   4.3842  249.656   11.393  244.699   15.774  255.061   16.473  189.902   6.1297  193.875   6.2698 -3.972809 8.768366 
1 1 1    7    7   43 o  285.649   4.7758  553.641   18.481  544.355   25.755  563.497   26.535  283.185   6.7114  288.114   6.7963 -4.929413 9.551619 
1 1 1    7    7   44 o  164.959   4.4097  184.190   9.8435  172.267   13.546  197.531   14.329  159.316   6.2742  170.602   6.1980 -11.28603 8.819362 
1 1 1    7    7   45 o  441.266   7.2764  1318.41   41.016  1347.52   71.410  1304.08   50.106  444.534   11.854  437.998   8.4417 6.535309 14.55282 
1 1 1    7    7   46 o  335.102   7.3045  762.823   33.170   0.0000   0.0000  762.823   33.170  ?   ?   335.102   7.3045      ?      ? 
1 1 1    7    7   47 o  376.056   5.4349  960.591   27.689  940.190   38.591  982.234   39.750  371.948   7.6564  380.165   7.7158 -8.216736 10.86986 
1 1 1    7    7   48 o  302.343   5.9981  621.420   23.361  622.948   39.794  620.616   28.856  302.445   9.7094  302.241   7.0453 0.2037354 11.99620 
1 1 1    7    7   49 o  360.017   7.4883  883.857   36.532  887.824   51.497  879.838   51.832  360.843   10.531  359.191   10.649 1.651886 14.97660 
1 1 1    7    7   50 o   87.083   6.6746   53.497   7.4678   45.229   12.162   58.501   9.4615   81.405   11.025   92.761   7.5268 -11.35661 13.34920 
1 1 1    7    7   51 o  200.539   4.5040  273.198   12.239  274.523   17.262  271.858   17.357  201.031   6.3363  200.048   6.4027 0.9832611 9.007966 
1 1 1    7    7   52 o  116.995   4.8035   93.287   7.5941   99.054   10.593   87.190   10.893  120.741   6.4741  113.248   7.0978 7.492874 9.606915 
1 1 1    7    7   53 o  205.433   4.5271  286.831   12.600  290.101   17.680  283.456   17.960  206.632   6.3139  204.235   6.4894 2.396454 9.054144 
1 1 1    7    7   54 o  162.922   4.5674  180.423   10.081  181.492   14.107  179.307   14.411  163.422   6.3699  162.422   6.5473 1.000107 9.134734 
1 1 1    7    7   55 o   29.704   8.0966   1.9579   5.0655  -4.0385   7.0495   8.3594   7.2837   23.076   10.456   36.332   12.365 -13.25623 16.19325 
1 1 1    7    7   56 o  194.088   6.4711  256.092   17.020  256.092   17.020   0.0000   0.0000  194.088   6.4711  ?   ?       ?      ? 
1 1 1    7    7   57 o  225.800   6.0081  359.913   17.065  384.454   21.015  312.396   29.243  237.782   6.5218  213.818   10.092 23.96364 12.01611 
1 1 1    7    7   58 o   92.776   5.7788   58.554   7.2570   56.537   9.9751   60.821   10.577   91.088   8.0811   94.464   8.2627 -3.375893 11.55753 
1 1 1    7    7   59 o  255.207   6.8699  444.905   23.746  466.143   33.942  424.546   33.232  261.198   9.5894  249.216   9.8401 11.98138 13.73985 
1 1 1    7    7   60 o  250.096   6.8017  425.705   23.052  425.705   23.052   0.0000   0.0000  250.096   6.8017  ?   ?       ?      ? 
1 1 1    7    7   61 o  115.023   5.3333   89.521   8.2637  104.515   12.220   76.884   11.218  123.858   7.2803  106.189   7.7956 17.66937 10.66651 
1 1 1    7    7   62 o  207.363   5.7958  290.487   15.272  302.333   26.974  284.897   18.528  210.183   9.4702  204.543   6.6843 5.640015 11.59160 
1 1 1    7    7   63 o  176.606   4.7593  212.478   11.389  208.008   16.027  217.038   16.187  174.724   6.7689  178.488   6.6922 -3.763672 9.518582 
1 1 1    7    7   64 o  107.173   5.4357   78.439   7.8941   78.085   11.104   78.802   11.225  106.931   7.6626  107.415   7.7118 -0.4841690 10.87143 
1 1 1    7    7   65 o   52.033   8.4341   19.274   6.1771   10.414   8.7005   28.279   8.7715   39.947   13.514   64.120   10.095 -24.17286 16.86830 
1 1 1    7    7   66 o  127.199   6.1496  108.722   10.100  118.437   17.436  103.817   12.391  131.174   9.8088  123.223   7.4202 7.950172 12.29927 
1 1 1    7    7   67 o  122.735   5.2457  102.929   8.7147  110.114   12.586   96.311   12.079  126.860   7.3209  118.611   7.5148 8.248291 10.49136 
1 1 1    7    7   68 o   66.725   7.2095   30.807   6.5188   30.825   9.2430   30.788   9.1952   66.742   10.220   66.709   10.172 0.3348541E-01 14.41890 
1 1 1    7    7   69 o   79.881   6.3585   44.042   6.8811   43.185   9.7785   44.882   9.6850   79.091   9.1236   80.672   8.8592 -1.581512 12.71709 
1 1 1    7    7   70 o  211.527   4.8177  306.267   13.776  337.537   19.879  277.381   19.107  221.971   6.6088  201.083   7.0118 20.88795 9.635440 
1 1 1    7    7   71 o   86.597   7.6453   53.154   8.3209   54.380   10.122   50.596   14.613   88.703   8.4206   84.491   12.763 4.211502 15.29069 
1 1 1    7    7   72 o  103.800   7.9206   74.449   11.141   74.449   11.141   0.0000   0.0000  103.800   7.9206  ?   ?       ?      ? 
1 1 1    7    7   73 o   90.900   6.0726   57.628   7.4253   65.955   10.557   49.476   10.446   97.577   7.9837   84.223   9.1523 13.35374 12.14514 
1 1 1    7    7   74 o   84.527   6.1514   49.911   7.0291   53.779   9.9383   46.039   9.9430   87.906   8.3427   81.148   9.0419 6.758324 12.30272 
1 1 1    7    7   75 o   63.252   7.7533   28.888   6.4496   24.206   8.9236   34.008   9.3322   57.119   11.914   69.386   9.9250 -12.26701 15.50666 
1 1 1    7    7   76 o   39.674   9.2161   11.093   5.8853   14.752   8.3101   7.4113   8.3362   44.338   12.993   35.011   13.074 9.327412 18.43224 
1 1 1    7    7   77 o   35.830   9.6075   7.5933   6.5692   2.7200   10.702   10.540   8.3216   33.060   13.948   38.601   13.216 -5.540909 19.21496 
1 1 1    7    7   78 o   52.615   8.3226   21.398   6.0548   29.259   8.3212   12.552   8.8268   64.047   9.5875   41.182   13.607 22.86480 16.64513 
1 1 1    7    7   79 o   67.404   8.7070   31.285   7.5117   46.395   12.990   23.694   9.2074   79.240   12.097   55.569   12.527 23.67123 17.41400 
1 1 1    7    7   80 o   40.508   10.101   11.701   6.7397   13.495   10.985   10.618   8.5351   42.647   15.143   38.369   13.371 4.278648 20.20178 
1 1 1    7    7   81 o   59.246   9.5068   29.899   7.5210   18.253   12.715   36.168   9.3279   47.739   16.336   70.753   9.7286 -23.01400 19.01351 
1 1 1    7    7   82 o   75.154   8.6868   43.505   8.0553   41.055   13.733   44.790   9.9459   71.491   14.667   78.817   9.3120 -7.325851 17.37362 
1 1 1    7    7   83 o   32.007   9.4152   3.4049   6.5496   7.2367   10.826   1.1928   8.2257   36.004   14.482   28.009   12.036 7.995071 18.83038 
1 1 1    7    7   84 o   63.722   11.248   34.657   9.7870   40.088   13.533   28.703   14.171   70.058   14.722   57.386   17.008 12.67212 22.49513 
1 1 1    7    7   85 o   37.239   10.543   4.8859   8.5562  -4.1521   11.129   17.949   13.380   28.111   12.890   46.366   16.687 -18.25519 21.08527 
1 1 1    7    7   86 o   33.239   14.250   3.7877   11.483   3.7877   11.483   0.0000   0.0000   33.239   14.250  ?   ?       ?      ? 
1 1 1    7    7   87 o   46.510   11.648   19.140   9.3185   22.052   12.550   15.561   13.911   49.657   16.216   43.363   16.726 6.293499 23.29610 
1 1 1    7    7   88 f   57.404   12.063   31.449   10.234   35.444   13.872   26.677   15.160   62.426   16.242   52.381   17.839 10.04476 24.12512 
1 1 1    7    7   89 o   48.777   12.108   23.156   9.9028   22.914   13.714   23.419   14.315   48.669   16.950   48.884   17.295 -0.2151260 24.21572 
1 1 1    7    7   90 o   32.128   14.469   2.0018   13.259   0.0000   0.0000   2.0018   13.259  ?   ?    32.128   14.469      ?      ? 
1 1 1    7    7   91 o   42.511   11.277   16.209   9.7343   4.1899   13.769   28.219   13.764   33.107   14.840   51.916   16.983 -18.80939 22.55353 
1 1 1    7    7   92 o   45.917   11.726   22.501   9.6690   29.890   13.919   15.611   13.442   52.180   17.079   39.654   16.070 12.52650 23.45118 
1 1 1    7    8    0 o  668.949   9.8183  2992.11   82.811  2917.60   99.603  3158.93  149.035  655.851   11.207  682.047   16.125 -26.19678 19.63669 
1 1 1    7    8    1 o  920.935   10.520  5743.92  131.122  6037.13  191.334  5484.28  180.049  943.032   14.972  898.838   14.782 44.19403 21.03960 
1 1 1    7    8    2 o  603.896   7.3500  2471.67   60.129  2411.82   83.691  2535.52   86.445  596.346   10.356  611.445   10.433 -15.09821 14.70009 
1 1 1    7    8    3 o  320.696   4.8985  696.716   21.281  681.249   29.630  713.196   30.585  317.022   6.8969  324.369   6.9580 -7.347076 9.797002 
1 1 1    7    8    4 o  161.677   4.1652  176.997   9.1196  172.807   12.619  181.577   13.194  159.677   5.8318  163.678   5.9486 -4.000916 8.330432 
1 1 1    7    8    5 o  542.728   8.2362  1983.55   56.883  1956.47   69.169  2040.13   99.977  537.151   9.5024  548.305   13.455 -11.15491 16.47249 
1 1 1    7    8    6 o  590.654   8.7872  2340.98   65.854  2294.67   79.745  2440.30  116.771  581.697   10.116  599.611   14.371 -17.91364 17.57445 
1 1 1    7    8    7 o  550.191   8.3390  2056.80   58.717  2063.70   72.100  2043.24  101.176  551.668   9.6445  548.715   13.606 2.952759 16.67790 
1 1 1    7    8    8 o  684.302   9.8988  3121.13   85.479  3026.66  102.767  3333.24  153.988  667.992   11.353  700.613   16.219 -32.62177 19.79752 
1 1 1    7    8    9 o  309.702   6.1525  652.075   23.759  654.849   28.514  645.775   42.969  310.821   6.7697  308.582   10.275 2.238647 12.30494 
1 1 1    7    8   10 o  324.108   5.8117  716.225   21.693  719.913   24.859  704.452   44.417  325.916   5.6286  322.299   10.170 3.616455 11.62343 
1 1 1    7    8   11 o  539.654   7.8479  1982.43   49.410  1989.33   56.941  1961.37   99.408  541.709   7.7567  537.599   13.645 4.110107 15.69585 
1 1 1    7    8   12 o  527.105   7.6982  1861.73   46.902  1841.33   53.625  1928.15   96.750  521.172   7.5928  533.037   13.394 -11.86523 15.39643 
1 1 1    7    8   13 o  541.203   7.8644  1990.33   49.586  1993.77   57.081  1979.75  100.104  542.308   7.7672  540.097   13.677 2.210876 15.72883 
1 1 1    7    8   14 f  612.738   9.1659  2556.72   71.632  2574.58   87.744  2521.05  124.034  616.115   10.509  609.361   15.020 6.753113 18.33188 
1 1 1    7    8   15 o  473.958   7.2021  1538.78   39.841  1553.87   45.998  1493.45   79.715  478.774   7.0897  469.143   12.539 9.631348 14.40423 
1 1 1    7    8   16 o  504.718   7.4709  1714.18   43.682  1701.66   50.039  1754.29   89.552  501.012   7.3701  508.424   12.998 -7.412048 14.94186 
1 1 1    7    8   17 o  533.154   7.7667  1921.31   48.140  1914.75   55.291  1941.89   97.876  531.440   7.6774  534.868   13.504 -3.428162 15.53344 
1 1 1    7    8   18 o  250.643   5.3419  433.188   15.418  439.941   17.716  412.100   31.304  254.778   5.1312  246.508   9.3710 8.270798 10.68388 
1 1 1    7    8   19 o  315.125   9.9753  673.565   42.598   0.0000   0.0000  673.565   42.598  ?   ?   315.125   9.9753      ?      ? 
1 1 1    7    8   20 o  377.453   7.5261  965.943   38.496  965.943   38.496   0.0000   0.0000  377.453   7.5261  ?   ?       ?      ? 
1 1 1    7    8   21 o  535.751   8.2483  1956.30   56.624  1921.89   97.045  1974.06   69.723  532.023   13.460  539.478   9.5371 -7.454834 16.49665 
1 1 1    7    8   22 o  610.322   9.0733  2500.87   70.242  2608.41  124.626  2450.80   85.036  619.624   14.842  601.020   10.441 18.60394 18.14664 
1 1 1    7    8   23 o  382.431   6.6743  1005.80   32.811  947.769   55.242  1037.43   40.784  373.717   10.908  391.145   7.6943 -17.42783 13.34866 
1 1 1    7    8   24 o  436.100   5.8339  1289.78   34.476  1302.54   48.849  1277.13   48.664  438.249   8.2254  433.951   8.2753 4.298004 11.66776 
1 1 1    7    8   25 o  293.284   6.6963  583.175   26.614  583.175   26.614   0.0000   0.0000  293.284   6.6963  ?   ?       ?      ? 
1 1 1    7    8   26 o  485.536   7.6569  1594.82   47.587  1615.94   82.369  1584.25   58.301  487.806   12.460  483.265   8.9024 4.541046 15.31388 
1 1 1    7    8   27 o  358.004   6.4013  880.284   29.606  832.932   49.376  906.866   36.994  350.321   10.401  365.686   7.4653 -15.36530 12.80260 
1 1 1    7    8   28 o  239.234   4.5056  388.109   14.603  391.046   20.471  385.065   20.838  240.158   6.2901  238.310   6.4526 1.847595 9.011147 
1 1 1    7    8   29 o  434.742   8.3168  1282.17   48.997   0.0000   0.0000  1282.17   48.997  ?   ?   434.742   8.3168      ?      ? 
1 1 1    7    8   30 o  546.435   9.7294  2026.79   72.046   0.0000   0.0000  2026.79   72.046  ?   ?   546.435   9.7294      ?      ? 
1 1 1    7    8   31 o  306.229   6.9444  636.025   28.818   0.0000   0.0000  636.025   28.818  ?   ?   306.229   6.9444      ?      ? 
1 1 1    7    8   32 o  242.503   4.5028  398.745   14.790  396.454   20.576  401.194   21.275  241.786   6.2799  243.221   6.4548 -1.435196 9.005652 
1 1 1    7    8   33 o  438.756   8.3787  1306.55   49.817   0.0000   0.0000  1306.55   49.817  ?   ?   438.756   8.3787      ?      ? 
1 1 1    7    8   34 o  506.146   7.9117  1724.17   50.788  1693.33   61.511  1790.23   90.027  499.381   9.0894  512.910   12.952 -13.52869 15.82342 
1 1 1    7    8   35 o  121.170   5.6821  101.653   8.6241  105.126   10.473   94.336   15.202  124.493   6.2076  117.846   9.5191 6.646889 11.36427 
1 1 1    7    8   36 o  279.690   6.7512  530.761   25.588   0.0000   0.0000  530.761   25.588  ?   ?   279.690   6.7512      ?      ? 
1 1 1    7    8   37 o  179.188   5.4104  220.510   12.146  224.814   14.693  211.219   21.587  182.049   5.9558  176.328   9.0344 5.720886 10.82085 
1 1 1    7    8   38 o  147.728   5.3969  146.975   9.9906  145.078   11.988  151.290   18.077  146.235   6.0493  149.222   8.9394 -2.987228 10.79381 
1 1 1    7    8   39 o  244.037   6.5553  404.156   21.679   0.0000   0.0000  404.156   21.679  ?   ?   244.037   6.5553      ?      ? 
1 1 1    7    8   40 o  388.465   5.4943  1024.78   28.919  1018.74   40.491  1031.07   41.316  387.303   7.7148  389.627   7.8251 -2.323547 10.98861 
1 1 1    7    8   41 o  377.554   7.7223  968.236   39.510   0.0000   0.0000  968.236   39.510  ?   ?   377.554   7.7223      ?      ? 
1 1 1    7    8   42 o  261.777   4.6661  464.997   16.548  457.066   23.063  473.412   23.757  259.480   6.5588  264.073   6.6386 -4.592957 9.332133 
1 1 1    7    8   43 f  225.195   4.5058  344.402   13.744  355.487   19.391  333.211   19.483  228.846   6.2528  221.544   6.4894 7.301468 9.011676 
1 1 1    7    8   44 o  225.505   5.5901  352.873   16.191  321.835   27.044  370.213   20.214  217.494   9.1757  233.516   6.3878 -16.02187 11.18023 
1 1 1    7    8   45 o  360.106   6.4772  863.438   29.654  937.004   52.835  829.606   35.830  370.815   10.514  349.396   7.5673 21.41919 12.95442 
1 1 1    7    8   46 o  273.069   4.7519  506.502   17.583  508.488   24.758  504.479   24.976  273.614   6.6771  272.524   6.7630 1.089294 9.503810 
1 1 1    7    8   47 o  188.613   5.4270  242.199   13.218  240.729   22.352  242.990   16.392  188.076   8.7701  189.151   6.3949 -1.075958 10.85396 
1 1 1    7    8   48 o   86.557   5.4832   50.791   6.4156   46.013   8.8301   56.133   9.3371   82.252   7.9220   90.862   7.5831 -8.609993 10.96640 
1 1 1    7    8   49 o  252.619   4.6712  433.344   15.985  424.491   22.246  442.794   22.985  249.957   6.5677  255.281   6.6443 -5.323837 9.342414 
1 1 1    7    8   50 o  130.317   4.7215  115.119   8.3145  103.485   11.474  127.982   12.065  123.391   6.8619  137.244   6.4872 -13.85269 9.442988 
1 1 1    7    8   51 o  207.704   4.5571  293.015   12.824  285.463   17.919  300.945   18.361  204.961   6.4513  210.447   6.4381 -5.485870 9.114230 
1 1 1    7    8   52 o  173.726   8.8891  205.670   20.927  205.670   20.927   0.0000   0.0000  173.726   8.8891  ?   ?       ?      ? 
1 1 1    7    8   53 o  254.755   6.6854  442.448   23.073  430.015   32.168  455.621   33.112  251.071   9.4547  258.438   9.4546 -7.367203 13.37089 
1 1 1    7    8   54 o  189.209   5.7330  234.891   13.627  221.200   16.229  267.608   25.088  180.368   6.6398  198.050   9.3479 -17.68234 11.46606 
1 1 1    7    8   55 o   90.325   8.3779   55.772   10.154   67.054   14.817   45.782   13.943   98.983   11.046   81.666   12.599 17.31684 16.75572 
1 1 1    7    8   56 o  163.954   5.7491  181.390   11.985  178.105   14.551  188.319   21.135  161.823   6.6355  166.085   9.3904 -4.261673 11.49826 
1 1 1    7    8   57 f  224.087   4.7233  341.344   14.334  334.495   19.854  348.801   20.717  221.751   6.6068  226.424   6.7519 -4.672531 9.446585 
1 1 1    7    8   58 o  191.578   4.7039  249.596   12.209  243.057   17.039  256.496   17.502  189.001   6.6526  194.156   6.6520 -5.154739 9.407828 
1 1 1    7    8   59 o  288.666   7.0291  567.436   27.497  567.436   27.497   0.0000   0.0000  288.666   7.0291  ?   ?       ?      ? 
1 1 1    7    8   60 o   92.349   5.8045   58.240   7.2592   55.930   10.282   60.537   10.251   90.508   8.3828   94.191   8.0309 -3.683571 11.60891 
1 1 1    7    8   61 o  165.454   4.8048  186.520   10.768  179.603   15.182  193.521   15.275  162.353   6.9008  168.555   6.6875 -6.201981 9.609512 
1 1 1    7    8   62 o  180.611   6.0560  230.119   13.800  202.885   23.615  244.241   17.005  171.900   10.137  189.322   6.6281 -17.42180 12.11199 
1 1 1    7    8   63 o  161.655   5.8469  177.317   12.113  183.355   21.000  174.307   14.829  163.454   9.4809  159.857   6.8452 3.597778 11.69379 
1 1 1    7    8   64 o  205.141   5.7678  286.438   15.177  293.432   26.205  282.908   18.617  206.677   9.3564  203.605   6.7473 3.071960 11.53552 
1 1 1    7    8   65 o  143.024   4.9633  139.812   9.6123  132.740   13.521  147.037   13.668  139.343   7.1606  146.706   6.8749 -7.363113 9.926657 
1 1 1    7    8   66 o  247.412   4.9335  416.888   16.489  373.802   22.584  466.083   24.132  233.728   7.1302  261.097   6.8203 -27.36926 9.866968 
1 1 1    7    8   67 o  167.884   4.8800  192.838   11.096  202.277   15.871  183.813   15.519  171.923   6.8122  163.846   6.9893 8.077240 9.759942 
1 1 1    7    8   68 o  104.858   5.5512   75.595   7.8758   81.308   11.248   70.099   11.031  108.787   7.6298  100.929   8.0655 7.858398 11.10250 
1 1 1    7    8   69 o   83.770   7.4608   49.147   8.0560   49.595   9.9993   48.319   13.599   84.701   8.7116   82.839   12.114 1.861931 14.92157 
1 1 1    7    8   70 o  111.457   5.3932   85.767   8.1123   95.354   11.542   76.409   11.404  117.716   7.2355  105.197   7.9997 12.51973 10.78644 
1 1 1    7    8   71 o  147.596   6.9771  149.982   13.955  149.982   13.955   0.0000   0.0000  147.596   6.9771  ?   ?       ?      ? 
1 1 1    7    8   72 o  155.152   6.1872  169.775   12.118  173.772   14.794  161.623   21.126  158.773   6.8760  151.530   10.288 7.243546 12.37440 
1 1 1    7    8   73 o   46.409   9.1450   16.024   5.9867   18.021   8.5948   14.142   8.3438   49.064   12.794   43.754   13.070 5.309246 18.28997 
1 1 1    7    8   74 o   72.354   6.8205   37.144   6.6254   42.763   9.3735   31.535   9.3659   78.079   8.8590   66.629   10.373 11.44936 13.64107 
1 1 1    7    8   75 o   51.069   8.4151   19.333   6.1080   10.621   8.5347   28.481   8.7451   38.916   13.382   63.222   10.207 -24.30587 16.83027 
1 1 1    7    8   76 o   27.692   8.2801   0.8377   5.4791   4.0085   7.6673  -2.4714   7.8326   30.395   12.201   24.988   11.198 5.406908 16.56022 
1 1 1    7    8   77 o  109.990   7.9824   85.048   11.898   0.0000   0.0000   85.048   11.898  ?   ?   109.990   7.9824      ?      ? 
1 1 1    7    8   78 o   92.724   7.6457   64.444   8.8965   56.636   15.194   68.517   10.975   86.971   12.892   98.476   8.2238 -11.50485 15.29136 
1 1 1    7    8   79 o   68.481   9.3625   37.220   7.8303   32.595   13.849   39.394   9.4936   62.908   16.159   74.053   9.4603 -11.14454 18.72501 
1 1 1    7    8   80 o   80.981   8.4689   50.874   8.2940   44.732   14.262   54.014   10.196   74.964   14.564   86.999   8.6480 -12.03516 16.93784 
1 1 1    7    8   81 o   37.531   9.9799   9.6054   6.8286   7.5106   11.336   10.799   8.5551   36.761   14.807   38.301   13.385 -1.540466 19.95981 
1 1 1    7    8   82 o   45.421   10.982   14.854   8.7393   5.5798   11.825   26.016   12.973   35.465   14.793   55.377   16.236 -19.91205 21.96393 
1 1 1    7    8   83 o   83.655   9.7871   54.974   10.600   41.104   14.376   71.500   15.692   70.205   15.523   97.104   11.925 -26.89925 19.57430 
1 1 1    7    8   84 f   62.296   10.428   31.216   9.5735   15.175   12.846   51.253   14.358   43.620   16.242   80.971   13.085 -37.35023 20.85677 
1 1 1    7    8   85 o   30.434   9.5364  -0.4797   8.0234   4.5514   10.941  -6.3328   11.801   33.241   14.068   27.628   12.878 5.613867 19.07275 
1 1 1    7    8   86 o   20.336   10.054 -19.2751   10.183 -19.2751   10.183   0.0000   0.0000   20.336   10.054  ?   ?       ?      ? 
1 1 1    7    8   87 f   62.497   11.846   35.967   10.313   29.550   13.975   43.642   15.284   55.874   16.966   69.120   16.538 -13.24656 23.69283 
1 1 1    7    8   88 o   41.467   11.357   14.737   9.3105   19.469   13.008   9.7671   13.332   45.473   16.441   37.460   15.673 8.013653 22.71422 
1 1 1    7    8   89 o   34.789   10.300   5.6012   8.7440  -4.1493   12.175   15.990   12.566   27.984   13.056   41.593   15.934 -13.60937 20.60003 
1 1 1    7    8   90 o   56.074   17.257   33.182   14.397   0.0000   0.0000   33.182   14.397  ?   ?    56.074   17.257      ?      ? 
1 1 1    7    9    0 f  604.024   7.3689  2471.80   60.285  2568.85   86.897  2381.76   83.703  615.442   10.419  592.607   10.423 22.83490 14.73770 
1 1 1    7    9    1 o  304.721   4.8434  628.456   19.984  605.338   27.593  653.957   28.981  298.837   6.8136  310.605   6.8853 -11.76776 9.686740 
1 1 1    7    9    2 o  219.951   4.3822  326.561   13.035  305.416   17.769  351.198   19.180  212.274   6.1770  227.628   6.2177 -15.35428 8.764407 
1 1 1    7    9    3 o  552.681   6.8843  2070.78   51.552  2121.18   73.599  2022.24   72.231  559.282   9.7109  546.080   9.7607 13.20209 13.76858 
1 1 1    7    9    4 o  475.411   6.1822  1532.46   39.826  1553.46   56.413  1511.59   56.233  478.660   8.6970  472.161   8.7885 6.499176 12.36430 
1 1 1    7    9    5 o  520.748   6.5901  1838.50   46.498  1820.12   65.042  1857.70   66.498  518.090   9.2641  523.407   9.3753 -5.316467 13.18027 
1 1 1    7    9    6 o  439.149   7.2962  1316.55   40.680  1332.90   49.682  1283.28   70.862  443.391   8.2686  434.908   12.024 8.482758 14.59237 
1 1 1    7    9    7 o  608.671   9.1686  2536.22   71.330  2582.22   87.817  2447.01  122.285  617.018   10.503  600.323   15.032 16.69470 18.33728 
1 1 1    7    9    8 o  636.989   9.4718  2759.44   76.851  2770.17   93.943  2737.74  133.624  639.050   10.848  634.928   15.530 4.121765 18.94368 
1 1 1    7    9    9 o  542.019   8.3651  1986.88   57.489  1975.23   69.803  2011.44  101.360  539.686   9.5444  544.353   13.741 -4.667114 16.73016 
1 1 1    7    9   10 o  383.018   6.6759  976.708   32.102  948.033   38.433  1042.89   58.386  373.948   7.5843  392.087   10.989 -18.13834 13.35182 
1 1 1    7    9   11 o  393.682   6.7972  1042.11   33.751  1026.86   40.702  1075.67   60.388  389.177   7.7176  398.187   11.191 -9.009796 13.59444 
1 1 1    7    9   12 o  438.471   7.2722  1308.46   40.488  1316.69   49.373  1291.59   70.744  440.666   8.2680  436.275   11.966 4.390442 14.54447 
1 1 1    7    9   13 o  211.312   5.4540  297.175   14.456  288.462   17.295  317.380   26.337  206.290   6.1865  216.334   8.9839 -10.04388 10.90799 
1 1 1    7    9   14 o  393.014   6.8258  1044.94   33.951  1040.10   41.164  1055.25   60.039  391.666   7.7557  394.363   11.235 -2.696411 13.65163 
1 1 1    7    9   15 o  607.100   9.1148  2490.99   70.224  2470.70   85.290  2533.70  123.740  603.479   10.429  610.721   14.951 -7.242493 18.22951 
1 1 1    7    9   16 o  285.785   5.9597  562.048   21.592  577.940   26.448  530.285   37.391  291.977   6.6844  279.593   9.8688 12.38449 11.91944 
1 1 1    7    9   17 f  387.805   6.8175  1034.02   33.754  1063.10   41.621  978.146   57.692  395.957   7.7568  379.653   11.214 16.30411 13.63494 
1 1 1    7    9   18 o  480.474   7.3205  1598.85   41.416  1633.60   48.180  1500.50   81.056  490.851   7.2433  470.096   12.724 20.75446 14.64096 
1 1 1    7    9   19 o  726.744   9.9378  3588.53   84.450  3588.94   97.357  3587.30  169.725  727.314   9.8778  726.173   17.247 1.140259 19.87567 
1 1 1    7    9   20 o  527.969   7.7816  1902.01   48.065  1912.07   55.494  1871.78   96.162  531.004   7.7120  524.933   13.518 6.070557 15.56329 
1 1 1    7    9   21 o  380.339   6.7257  988.997   32.518  1003.75   39.786  959.311   56.434  384.731   7.6312  375.946   11.077 8.785187 13.45145 
1 1 1    7    9   22 o  671.967   9.9124  3096.65   85.377  3157.96  105.474  2980.13  145.405  682.034   11.412  661.900   16.211 20.13403 19.82474 
1 1 1    7    9   23 o  641.587   10.985  2794.39   95.509   0.0000   0.0000  2794.39   95.509  ?   ?   641.587   10.985      ?      ? 
1 1 1    7    9   25 o  256.370   4.5885  445.603   15.939  442.454   22.300  448.892   22.789  255.446   6.4420  257.294   6.5360 -1.848755 9.177097 
1 1 1    7    9   26 o  437.666   8.3693  1299.61   49.638   0.0000   0.0000  1299.61   49.638  ?   ?   437.666   8.3693      ?      ? 
1 1 1    7    9   27 o  417.604   5.7152  1182.90   32.337  1168.26   45.222  1198.20   46.259  414.965   8.0419  420.243   8.1229 -5.278442 11.43032 
1 1 1    7    9   28 o  267.362   4.6616  484.843   16.887  488.232   23.736  481.370   24.030  268.310   6.5282  266.413   6.6561 1.896881 9.323153 
1 1 1    7    9   29 o  504.193   6.4846  1725.25   44.298  1770.73   63.243  1681.45   62.067  510.717   9.1380  497.669   9.2031 13.04828 12.96920 
1 1 1    7    9   30 o  442.367   7.2413  1336.18   41.019  1350.53   50.500  1308.36   70.325  446.067   8.3542  438.668   11.830 7.399445 14.48257 
1 1 1    7    9   31 o  389.651   6.6772  1020.67   33.077  1001.44   40.140  1061.37   58.386  384.143   7.7109  395.158   10.903 -11.01584 13.35439 
1 1 1    7    9   32 o  229.037   4.5095  354.483   13.969  327.938   19.115  384.904   20.463  219.870   6.4154  238.205   6.3392 -18.33562 9.019075 
1 1 1    7    9   33 o  317.165   4.9634  682.363   21.326  673.164   29.721  692.127   30.619  314.966   6.9632  319.364   7.0750 -4.397797 9.926819 
1 1 1    7    9   34 f  173.420   4.3665  204.093   10.254  205.833   14.262  202.231   14.753  174.190   6.0419  172.650   6.3056 1.540207 8.733037 
1 1 1    7    9   35 o  229.594   4.4790  357.397   13.927  350.317   19.302  365.086   20.116  227.227   6.2684  231.960   6.3995 -4.733994 8.958014 
1 1 1    7    9   36 o  326.963   10.268  727.159   45.497   0.0000   0.0000  727.159   45.497  ?   ?   326.963   10.268      ?      ? 
1 1 1    7    9   37 o  262.801   9.5368  469.612   33.963   0.0000   0.0000  469.612   33.963  ?   ?   262.801   9.5368      ?      ? 
1 1 1    7    9   38 o  285.204   4.8025  551.961   18.543  586.945   26.517  518.488   25.939  294.054   6.6546  276.354   6.9263 17.70038 9.605096 
1 1 1    7    9   39 o  237.848   4.5483  384.148   14.654  391.679   20.574  376.394   20.877  240.222   6.3201  235.474   6.5425 4.748535 9.096608 
1 1 1    7    9   40 o  249.328   4.6087  422.158   15.565  435.428   21.986  408.825   22.039  253.265   6.4061  245.390   6.6274 7.874649 9.217415 
1 1 1    7    9   41 o  167.828   4.4419  190.525   10.084  177.160   13.810  205.790   14.759  161.544   6.3083  174.111   6.2553 -12.56732 8.883880 
1 1 1    7    9   42 o  145.336   4.4748  143.178   8.8060  137.219   12.165  149.738   12.763  142.165   6.3145  148.507   6.3422 -6.342041 8.949675 
1 1 1    7    9   43 o  205.658   6.3947  287.202   17.822   0.0000   0.0000  287.202   17.822  ?   ?   205.658   6.3947      ?      ? 
1 1 1    7    9   44 o  177.609   6.3971  214.229   15.397   0.0000   0.0000  214.229   15.397  ?   ?   177.609   6.3971      ?      ? 
1 1 1    7    9   45 o  154.538   4.5014  161.911   9.4168  152.128   13.033  172.599   13.622  149.659   6.4261  159.417   6.3054 -9.758667 9.002874 
1 1 1    7    9   46 o  305.297   4.9574  633.483   20.508  644.407   29.016  622.579   28.989  307.934   6.9533  302.659   7.0679 5.275177 9.914825 
1 1 1    7    9   47 o  272.485   4.7823  504.591   17.657  513.507   24.988  495.700   24.953  274.896   6.7078  270.074   6.8180 4.821442 9.564524 
1 1 1    7    9   48 o  174.147   4.5331  205.678   10.686  193.443   14.783  219.068   15.465  168.729   6.4656  179.565   6.3555 -10.83647 9.066166 
1 1 1    7    9   49 o  224.569   6.6167  342.759   20.136   0.0000   0.0000  342.759   20.136  ?   ?   224.569   6.6167      ?      ? 
1 1 1    7    9   50 o  110.523   7.1606   83.079   10.725   83.079   10.725   0.0000   0.0000  110.523   7.1606  ?   ?       ?      ? 
1 1 1    7    9   51 o  192.674   6.7730  252.999   17.595  250.334   23.667  256.292   26.309  191.604   9.1150  193.743   10.021 -2.138901 13.54607 
1 1 1    7    9   52 o  255.056   4.8030  442.411   16.599  451.784   23.527  433.122   23.422  257.753   6.7355  252.358   6.8489 5.395157 9.605973 
1 1 1    7    9   53 o   91.987   5.8026   57.683   7.1920   49.868   10.017   65.998   10.332   85.525   8.6433   98.449   7.7444 -12.92393 11.60526 
1 1 1    7    9   54 o  141.585   4.7873  135.985   9.1466  119.394   12.602  154.457   13.297  132.462   7.0202  150.707   6.5108 -18.24496 9.574652 
1 1 1    7    9   55 o   88.557   5.8554   53.805   6.9657   61.623   9.8188   45.883   9.8835   95.117   7.6176   81.998   8.8946 13.11916 11.71070 
1 1 1    7    9   56 o  154.416   6.9161  164.332   14.352  182.731   19.912  144.441   20.704  163.592   8.9820  145.240   10.519 18.35268 13.83214 
1 1 1    7    9   57 o  265.481   6.8358  481.944   24.583  501.475   35.069  463.077   34.469  270.796   9.5566  260.167   9.7766 10.62952 13.67152 
1 1 1    7    9   58 o  218.273   4.8148  324.494   14.237  326.511   19.914  322.384   20.361  218.982   6.7107  217.563   6.9062 1.419586 9.629586 
1 1 1    7    9   59 o  233.531   4.8083  371.440   15.215  364.050   21.326  379.100   21.713  231.165   6.8078  235.898   6.7922 -4.732895 9.616667 
1 1 1    7    9   60 o  136.498   5.0307  127.157   9.2985  122.954   13.247  131.239   13.056  134.252   7.2812  138.744   6.9438 -4.492004 10.06146 
1 1 1    7    9   61 o  116.222   7.5480   92.259   11.888   0.0000   0.0000   92.259   11.888  ?   ?   116.222   7.5480      ?      ? 
1 1 1    7    9   62 o  123.796   6.4756  104.231   10.186  107.989   17.964  102.450   12.366  125.156   10.592  122.435   7.4533 2.720215 12.95117 
1 1 1    7    9   63 o   58.155   8.1362   24.027   6.2724   28.619   8.8896   19.475   8.8514   64.419   10.183   51.892   12.692 12.52646 16.27237 
1 1 1    7    9   64 o  105.747   5.4461   76.624   7.8035   78.121   11.062   75.142   11.010  106.784   7.6441  104.711   7.7593 2.072929 10.89217 
1 1 1    7    9   65 o   93.534   5.8819   60.176   7.4506   58.088   10.582   62.230   10.492   91.894   8.4976   95.174   8.1351 -3.279648 11.76385 
1 1 1    7    9   66 o  136.648   6.0253  125.809   10.635  119.617   13.045  138.084   18.366  132.051   7.2898  141.245   9.5955 -9.194702 12.05056 
1 1 1    7    9   67 o  106.623   6.6313   78.808   9.1015   78.863   11.251   78.703   15.483  107.053   7.7553  106.193   10.759 0.8596420 13.26257 
1 1 1    7    9   68 o   76.660   6.5822   40.809   6.8375   40.158   9.6200   41.474   9.7202   76.037   9.3361   77.284   9.2812 -1.246674 13.16448 
1 1 1    7    9   69 o  126.395   5.2181  110.102   8.9162  100.184   12.452  120.539   12.773  120.481   7.6267  132.310   7.1238 -11.82835 10.43626 
1 1 1    7    9   70 o  121.986   5.2814  102.943   8.6487  121.634   12.455   85.537   12.019  132.862   6.9175  111.110   7.9824 21.75224 10.56273 
1 1 1    7    9   71 o   77.014   9.2130   41.525   9.6151   41.525   9.6151   0.0000   0.0000   77.014   9.2130  ?   ?       ?      ? 
1 1 1    7    9   72 o   73.116   8.4958   37.353   7.7448   34.313   9.3612   43.947   13.788   69.698   9.9112   76.535   13.801 -6.836494 16.99156 
1 1 1    7    9   73 o   50.416   8.8870   19.222   6.0545   20.162   8.4071   18.209   8.7266   51.804   12.180   49.028   12.944 2.776695 17.77394 
1 1 1    7    9   74 o   57.657   8.2023   25.059   6.2674   33.125   8.8277   16.862   8.8997   68.315   9.5356   46.999   13.348 21.31571 16.40454 
1 1 1    7    9   75 o   36.938   9.9272   7.9927   6.6338   10.528   11.103   6.5852   8.2729   40.108   15.067   33.768   12.930 6.340786 19.85433 
1 1 1    7    9   76 o   37.339   9.8099   7.1938   6.6643   15.529   11.009   2.3725   8.3727   45.088   15.202   29.591   12.403 15.49693 19.61982 
1 1 1    7    9   77 o   45.171   13.545   15.870   8.9487   0.0000   0.0000   15.870   8.9487  ?   ?    45.171   13.545      ?      ? 
1 1 1    7    9   78 o   47.221   10.205   18.246   7.2087   13.199   12.405   20.820   8.8578   42.767   15.953   51.676   12.732 -8.909050 20.41082 
1 1 1    7    9   79 o   63.103   11.067   32.560   9.6100   23.643   13.133   42.838   14.100   53.146   16.503   73.061   14.749 -19.91482 22.13358 
1 1 1    7    9   80 o  106.280   8.1041   83.828   11.636   75.755   15.883   93.182   17.097  100.624   11.648  111.937   11.271 -11.31212 16.20823 
1 1 1    7    9   81 o   63.745   11.137   34.380   9.6022   37.690   13.104   30.541   14.112   68.013   14.650   59.476   16.780 8.537491 22.27487 
1 1 1    7    9   82 o   43.219   11.514   14.480   9.1917   15.284   12.706   13.598   13.314   43.886   16.190   42.553   16.377 1.332726 23.02833 
1 1 1    7    9   83 o   69.234   10.746   39.516   10.236   24.905   13.753   57.659   15.326   52.883   16.951   85.585   13.214 -32.70220 21.49276 
1 1 1    7    9   84 o   39.698   11.206   11.195   9.0345   10.195   12.045   12.481   13.660   38.410   15.336   40.986   16.343 -2.576488 22.41164 
1 1 1    7    9   85 o   40.477   11.344   12.679   9.2510   12.453   12.828   12.923   13.354   40.200   15.897   40.754   16.187 -0.5534286 22.68792 
1 1 1    7    9   86 o   26.009   12.415 -10.0365   12.223 -10.0365   12.223   0.0000   0.0000   26.009   12.415  ?   ?       ?      ? 
1 1 1    7    9   87 o   23.011   11.279 -16.9999   11.938 -16.9999   11.938   0.0000   0.0000   23.011   11.279  ?   ?       ?      ? 
1 1 1    7    9   88 o   30.779   9.8367   1.2391   8.7626   2.2005   12.063   0.1650   12.750   31.058   13.908   30.501   13.914 0.5571690 19.67340 
1 1 1    7    9   89 o   30.383   9.7911   1.1285   8.9032   1.8263   12.374   0.3793   12.820   30.590   13.858   30.175   13.836 0.4147644 19.58229 
1 1 1    7   10    0 o  649.907   7.8392  2864.94   69.031  2924.75   98.564  2807.35   96.712  656.564   11.078  643.251   11.095 13.31348 15.67846 
1 1 1    7   10    1 o  419.025   5.7476  1190.60   32.634  1194.51   45.906  1186.60   46.402  419.723   8.0709  418.328   8.1853 1.394958 11.49513 
1 1 1    7   10    2 o  527.925   6.6893  1888.90   47.837  1958.06   68.678  1823.72   66.671  537.307   9.4322  518.544   9.4878 18.76288 13.37850 
1 1 1    7   10    3 o  563.955   7.0233  2152.07   53.604  2053.11   73.547  2264.19   78.289  550.165   9.8649  577.745   9.9996 -27.58069 14.04663 
1 1 1    7   10    4 o  570.317   7.0782  2206.07   54.698  2186.87   76.650  2225.99   78.077  567.792   9.9619  572.842   10.058 -5.049255 14.15632 
1 1 1    7   10    5 o  604.161   7.3941  2476.35   60.536  2480.66   85.357  2471.99   85.866  604.693   10.416  603.629   10.497 1.063721 14.78823 
1 1 1    7   10    6 o  467.651   6.1486  1483.06   38.962  1477.39   54.709  1488.90   55.502  466.746   8.6495  468.555   8.7411 -1.809662 12.29722 
1 1 1    7   10    7 o  200.725   4.4223  273.214   12.022  276.090   16.773  270.175   17.241  201.814   6.1329  199.637   6.3729 2.177353 8.844581 
1 1 1    7   10    8 o  479.312   6.2423  1557.62   40.537  1535.06   56.597  1581.38   58.087  475.753   8.7787  482.872   8.8770 -7.119629 12.48467 
1 1 1    7   10    9 o  392.395   5.5262  1043.79   29.379  1031.49   41.027  1056.73   42.088  390.026   7.7624  394.764   7.8676 -4.738434 11.05230 
1 1 1    7   10   10 o  425.538   5.8195  1227.21   33.541  1285.03   48.059  1172.31   46.832  435.306   8.1470  415.769   8.3121 19.53668 11.63894 
1 1 1    7   10   11 o  660.057   9.2150  2965.56   71.053  2972.36   81.916  2944.93  142.778  661.964   9.1317  658.150   16.009 3.814331 18.43000 
1 1 1    7   10   12 o  456.479   7.0410  1390.95   37.025  1370.99   42.234  1457.23   76.960  449.675   6.9308  463.283   12.258 -13.60745 14.08205 
1 1 1    7   10   13 o  357.817   6.1494  861.380   25.375  855.104   29.008  881.834   52.369  355.160   6.0271  360.474   10.721 -5.313263 12.29870 
1 1 1    7   10   14 o  337.096   5.9850  761.844   23.237  754.026   26.530  787.608   48.161  333.512   5.8700  340.680   10.432 -7.168121 11.97001 
1 1 1    7   10   15 o  216.656   5.6141  322.266   15.206  328.778   18.364  308.063   27.121  220.220   6.1535  213.092   9.3918 7.127853 11.22816 
1 1 1    7   10   16 o  356.330   6.5063  851.042   29.104  834.436   34.920  888.823   52.672  350.788   7.3458  361.873   10.741 -11.08496 13.01261 
1 1 1    7   10   17 o  421.507   7.1556  1207.83   38.151  1211.57   46.325  1199.94   67.255  422.645   8.0883  420.369   11.806 2.275635 14.31115 
1 1 1    7   10   18 o  492.852   7.4836  1665.79   43.131  1682.78   49.852  1615.20   86.015  498.132   7.3850  487.571   13.018 10.56100 14.96715 
1 1 1    7   10   19 f  556.827   8.1359  2128.43   53.078  2151.62   61.418  2060.02  105.494  563.205   8.0472  550.450   14.143 12.75452 16.27171 
1 1 1    7   10   20 o  485.146   7.3754  1593.69   41.581  1589.73   47.761  1606.08   84.518  484.148   7.2797  486.144   12.829 -1.995789 14.75078 
1 1 1    7   10   21 o  378.328   6.3605  974.256   27.968  977.065   32.170  965.561   56.603  379.598   6.2537  377.058   11.078 2.540039 12.72092 
1 1 1    7   10   22 o  384.664   6.4098  995.995   28.462  988.610   32.551  1019.97   58.656  381.825   6.2909  387.503   11.170 -5.678558 12.81965 
1 1 1    7   10   23 o  419.005   6.7698  1204.45   33.066  1216.81   38.160  1167.20   66.243  423.576   6.6481  414.434   11.795 9.141846 13.53956 
1 1 1    7   10   24 o  327.515   5.9953  733.514   22.729  738.712   26.122  717.315   46.118  330.061   5.8401  324.969   10.472 5.091644 11.99065 
1 1 1    7   10   25 o  285.817   5.5469  553.921   21.484  553.921   21.484   0.0000   0.0000  285.817   5.5469  ?   ?       ?      ? 
1 1 1    7   10   27 o  275.942   4.7611  516.515   17.796  537.105   25.321  496.415   25.017  281.381   6.6404  270.503   6.8247 10.87744 9.522168 
1 1 1    7   10   28 o  350.288   5.2163  832.545   24.758  824.886   34.666  840.519   35.370  348.647   7.3373  351.929   7.4164 -3.282288 10.43263 
1 1 1    7   10   29 o  254.680   4.6269  439.973   15.965  436.548   22.293  443.578   22.873  253.666   6.4853  255.694   6.6011 -2.028275 9.253851 
1 1 1    7   10   30 o  157.970   4.4103  169.268   9.4373  168.326   13.141  170.271   13.561  157.519   6.1563  158.422   6.3169 -0.9022217 8.820653 
1 1 1    7   10   31 o  197.599   4.4433  264.417   11.887  252.258   16.398  277.883   17.256  192.821   6.2754  202.377   6.2921 -9.555878 8.886628 
1 1 1    7   10   32 o  424.685   8.2954  1225.08   47.740   0.0000   0.0000  1225.08   47.740  ?   ?   424.685   8.2954      ?      ? 
1 1 1    7   10   33 o  328.801   5.1298  733.981   22.848  733.776   31.871  734.197   32.772  328.763   7.1536  328.839   7.3543 -0.7598877E-01 10.25964 
1 1 1    7   10   34 o  292.045   6.0308  573.543   22.146  563.662   26.623  595.737   39.901  288.157   6.8179  295.933   9.9498 -7.775299 12.06156 
1 1 1    7   10   35 o  370.116   6.6411  917.485   30.927  894.493   37.135  969.535   55.873  362.905   7.5510  377.328   10.927 -14.42297 13.28226 
1 1 1    7   10   36 o  375.913   7.6575  959.951   39.008  959.951   39.008   0.0000   0.0000  375.913   7.6575  ?   ?       ?      ? 
1 1 1    7   10   37 o  263.824   4.7184  472.359   16.864  464.362   23.483  480.873   24.232  261.524   6.6262  266.125   6.7192 -4.600922 9.436831 
1 1 1    7   10   38 o  345.253   7.4204  809.821   34.718   0.0000   0.0000  809.821   34.718  ?   ?   345.253   7.4204      ?      ? 
1 1 1    7   10   39 f  154.282   5.6467  168.025   11.123  141.460   18.338  183.488   13.991  144.167   9.3862  164.396   6.2801 -20.22890 11.29338 
1 1 1    7   10   40 o  234.436   5.6551  380.327   17.068  351.479   28.477  396.502   21.323  227.239   9.2475  241.632   6.5119 -14.39282 11.31019 
1 1 1    7   10   41 o   84.233   5.5700   48.286   6.2951   39.745   8.7263   57.554   9.0900   76.437   8.4245   92.028   7.2889 -15.59013 11.14002 
1 1 1    7   10   42 o  159.104   5.6097  176.873   11.450  156.551   18.995  188.472   14.351  151.624   9.2446  166.584   6.3570 -14.96034 11.21935 
1 1 1    7   10   43 o  228.136   5.6644  359.854   16.674  334.244   27.727  374.362   20.868  221.526   9.2361  234.746   6.5601 -13.22005 11.32875 
1 1 1    7   10   44 o  234.090   4.6370  372.442   14.701  387.123   20.802  357.794   20.779  238.712   6.4305  229.467   6.6823 9.244720 9.273902 
1 1 1    7   10   45 o  157.776   4.5989  168.947   9.8268  163.362   13.611  175.029   14.202  155.057   6.4776  160.495   6.5301 -5.437775 9.197859 
1 1 1    7   10   46 o  270.233   9.5235  497.922   34.875  497.922   34.875   0.0000   0.0000  270.233   9.5235  ?   ?       ?      ? 
1 1 1    7   10   47 o  187.865   6.4595  240.518   16.431  254.195   23.457  227.342   23.024  193.128   8.9628  182.601   9.3044 10.52687 12.91907 
1 1 1    7   10   48 o  251.465   6.7737  429.940   23.083   0.0000   0.0000  429.940   23.083  ?   ?   251.465   6.7737      ?      ? 
1 1 1    7   10   49 o  153.637   4.7156  160.389   9.8146  156.148   13.674  164.896   14.095  151.544   6.6586  155.729   6.6790 -4.185211 9.431141 
1 1 1    7   10   50 o  196.328   4.6697  261.562   12.411  246.866   17.136  277.776   17.999  190.536   6.6365  202.120   6.5713 -11.58354 9.339469 
1 1 1    7   10   51 o  184.551   4.6455  231.039   11.595  211.628   16.001  252.504   16.826  176.396   6.6938  192.707   6.4432 -16.31050 9.290920 
1 1 1    7   10   52 o  184.125   4.6405  230.410   11.574  222.151   16.133  239.168   16.613  180.725   6.5875  187.525   6.5376 -6.799820 9.280905 
1 1 1    7   10   53 f  269.584   4.8929  494.637   17.873  497.832   25.158  491.382   25.396  270.472   6.8640  268.696   6.9747 1.776642 9.785770 
1 1 1    7   10   54 o  192.034   4.6994  250.771   12.225  241.944   17.051  260.108   17.536  188.556   6.6730  195.513   6.6187 -6.956787 9.398727 
1 1 1    7   10   55 o  142.988   6.0726  141.014   10.983  143.679   13.398  135.553   19.180  145.271   6.8056  140.705   10.059 4.566254 12.14512 
1 1 1    7   10   56 o  235.822   5.8944  371.872   17.557  358.746   21.108  401.344   31.629  229.513   6.7867  242.130   9.6394 -12.61705 11.78881 
1 1 1    7   10   57 o  147.840   4.9310  149.072   9.8703  145.343   14.139  152.617   13.785  146.014   7.1458  149.666   6.7967 -3.652634 9.861951 
1 1 1    7   10   58 o  136.275   6.1943  129.628   10.693  119.691   18.409  134.686   13.135  131.997   10.292  140.552   6.8964 -8.554855 12.38866 
1 1 1    7   10   59 o  206.524   4.7997  290.591   13.414  269.810   18.663  312.800   19.294  198.867   6.9253  214.182   6.6476 -15.31544 9.599465 
1 1 1    7   10   60 o  127.375   6.2429  110.695   10.177  113.090   17.636  109.499   12.462  128.153   10.155  126.598   7.2638 1.554642 12.48578 
1 1 1    7   10   61 o  106.787   10.705   78.805   15.492   0.0000   0.0000   78.805   15.492  ?   ?   106.787   10.705      ?      ? 
1 1 1    7   10   62 f  141.247   7.1796  139.136   13.518  110.468   19.063  168.132   19.171  126.192   11.147  156.303   9.0512 -30.11048 14.35919 
1 1 1    7   10   63 o  121.245   6.2208  101.291   9.6774  101.414   11.918  101.053   16.579  121.671   7.2286  120.819   10.126 0.8513412 12.44156 
1 1 1    7   10   64 o   56.349   9.6457   22.448   6.9915   20.521   8.5796   26.255   12.062   53.116   12.179   59.583   14.961 -6.467022 19.29140 
1 1 1    7   10   65 o   23.718   7.5175  -3.9173   5.1737  -8.5194   7.5181   0.2227   7.1306   21.004   9.9425   26.433   11.278 -5.428888 15.03494 
1 1 1    7   10   66 o  130.403   5.0004  116.872   8.8364  117.303   12.506  116.443   12.487  130.645   7.0637  130.161   7.0795 0.4839172 10.00079 
1 1 1    7   10   67 o   31.915   8.5558   3.7914   5.5394  -2.3477   7.7712   10.133   7.8982   25.344   11.269   38.486   12.877 -13.14150 17.11151 
1 1 1    7   10   68 o   51.768   8.6387   19.814   5.9745   17.743   8.4028   21.932   8.4964   48.920   12.599   54.616   11.823 -5.695862 17.27731 
1 1 1    7   10   69 o   25.830   8.0142  -1.2389   5.3909  -0.5675   7.5273  -1.9459   7.7242   26.209   11.388   25.450   11.280 0.7583179 16.02836 
1 1 1    7   10   70 o   81.810   6.3547   46.887   7.0399   46.340   9.7498   47.483   10.176   81.355   8.8436   82.265   9.1279 -0.9105301 12.70938 
1 1 1    7   10   71 o   78.417   6.5950   43.406   6.9971   44.317   9.6971   42.416   10.106   79.377   9.0150   77.456   9.6283 1.920250 13.18993 
1 1 1    7   10   72 f   62.496   10.597   30.822   9.0330   39.099   12.693   22.329   12.857   71.757   13.550   53.234   16.296 18.52346 21.19359 
1 1 1    7   10   73 o   23.141   7.7048  -7.9184   6.1537 -12.2621   10.071  -5.3308   7.7735   23.330   11.172   22.951   10.613 0.3788376 15.40963 
1 1 1    7   10   74 o   50.260   10.099   18.146   7.1318   27.809   11.912   12.747   8.9039   59.174   14.872   41.346   13.666 17.82844 20.19767 
1 1 1    7   10   75 o   32.969   9.4251   4.9220   6.6098   0.8502   10.573   7.5343   8.4688   31.157   13.517   34.781   13.139 -3.623844 18.85018 
1 1 1    7   10   76 o   62.431   9.4576   31.908   7.7246   22.911   12.431   37.567   9.8593   52.863   15.990   71.998   10.105 -19.13446 18.91516 
1 1 1    7   10   77 o   23.330   11.329 -16.2635   11.261   0.0000   0.0000 -16.2635   11.261  ?   ?    23.330   11.329      ?      ? 
1 1 1    7   10   78 o   47.199   11.514   17.944   8.9217   16.365   12.131   19.803   13.167   45.424   15.935   48.974   16.625 -3.550373 23.02812 
1 1 1    7   10   79 o   46.186   11.268   16.715   8.5571   12.863   11.290   21.913   13.117   41.479   15.268   50.893   16.576 -9.413960 22.53603 
1 1 1    7   10   80 o   60.820   11.340   31.556   9.4514   31.749   12.704   31.317   14.144   61.607   15.289   60.032   16.750 1.574818 22.67916 
1 1 1    7   10   81 o   89.674   9.8338   63.849   11.183   43.246   15.148   88.525   16.578   71.099   16.097  108.249   11.301 -37.15030 19.66753 
1 1 1    7   10   82 o   45.383   10.881   15.868   9.2150   28.504   12.720   1.9104   13.369   57.078   15.870   33.688   14.889 23.38976 21.76115 
1 1 1    7   10   83 o   67.659   11.352   40.088   10.527   27.414   14.224   55.434   15.652   54.266   17.222   81.052   14.795 -26.78648 22.70471 
1 1 1    7   10   84 o   61.930   11.964   36.000   10.468   42.088   14.821   29.939   14.787   68.187   16.267   55.672   17.548 12.51441 23.92761 
1 1 1    7   10   85 o   51.454   11.817   25.290   9.8823   34.263   14.159   16.767   13.799   59.863   16.779   43.045   16.643 16.81810 23.63325 
1 1 1    7   10   86 o   36.261   15.418   8.8505   13.244   8.8505   13.244   0.0000   0.0000   36.261   15.418  ?   ?       ?      ? 
1 1 1    7   10   87 o   48.419   17.191   24.958   14.155   24.958   14.155   0.0000   0.0000   48.419   17.191  ?   ?       ?      ? 
1 1 1    7   10   88 o   44.242   11.230   17.821   10.154   0.7317   14.178   35.819   14.550   31.040   14.346   57.445   17.282 -26.40566 22.46089 
1 1 1    7   11    0 o  447.226   6.0344  1354.89   36.545  1427.16   52.678  1287.84   50.741  458.711   8.4744  435.741   8.5930 22.96982 12.06880 
1 1 1    7   11    1 o  561.675   7.0403  2140.28   53.581  2184.52   76.248  2097.11   75.312  567.412   9.9163  555.938   9.9966 11.47430 14.08064 
1 1 1    7   11    2 o  448.241   6.0369  1361.36   36.647  1322.92   50.748  1403.25   52.978  441.638   8.4795  454.844   8.5951 -13.20538 12.07379 
1 1 1    7   11    3 o  606.429   7.4475  2493.12   61.166  2419.60   84.715  2573.18   88.407  597.105   10.470  615.752   10.595 -18.64734 14.89505 
1 1 1    7   11    4 o  445.573   6.0125  1346.67   36.301  1348.30   50.996  1344.99   51.684  445.850   8.4405  445.296   8.5650 0.5542908 12.02499 
1 1 1    7   11    5 o  422.969   5.8191  1211.65   33.328  1168.44   46.035  1259.24   48.313  415.059   8.1845  430.879   8.2743 -15.81958 11.63827 
1 1 1    7   11    6 o  295.479   5.9020  595.133   22.636  581.865   37.697  602.615   28.308  292.844   9.4991  298.113   7.0073 -5.269104 11.80402 
1 1 1    7   11    7 o  498.262   7.8516  1689.84   50.394  1670.97   85.568  1699.87   62.355  495.977   12.731  500.548   9.1927 -4.571533 15.70312 
1 1 1    7   11    8 o  404.165   6.9017  1120.94   36.159  1064.62   59.919  1153.20   45.346  395.996   11.166  412.334   8.1154 -16.33810 13.80347 
1 1 1    7   11    9 o  483.357   7.6930  1583.73   47.803  1593.51   81.869  1578.67   58.883  484.341   12.473  482.372   9.0080 1.968994 15.38598 
1 1 1    7   11   10 o  499.580   6.4863  1690.76   43.874  1628.00   60.534  1760.21   63.681  489.834   9.1194  509.327   9.2264 -19.49249 12.97265 
1 1 1    7   11   11 o  512.883   7.7212  1809.94   46.306  1834.08   53.564  1738.53   92.127  520.015   7.6010  505.752   13.442 14.26382 15.44236 
1 1 1    7   11   12 o  439.451   6.9694  1311.27   35.459  1311.72   40.686  1309.81   72.312  439.810   6.8266  439.093   12.153 0.7162781 13.93880 
1 1 1    7   11   13 o  292.497   5.8351  591.406   19.553  601.357   22.424  559.840   39.937  297.828   5.5560  287.166   10.263 10.66214 11.67011 
1 1 1    7   11   14 o  318.505   5.9197  678.292   21.504  669.977   24.434  706.852   45.286  314.352   5.7359  322.657   10.357 -8.304932 11.83931 
1 1 1    7   11   15 o  399.395   6.6180  1088.65   30.580  1094.18   35.119  1071.30   62.192  401.687   6.4516  397.102   11.557 4.585449 13.23596 
1 1 1    7   11   16 o  401.362   6.5857  1079.59   30.400  1067.46   34.679  1119.82   63.179  396.746   6.4502  405.977   11.484 -9.231781 13.17137 
1 1 1    7   11   17 o  231.579   5.4723  368.451   14.486  372.522   16.573  355.265   29.824  234.407   5.2172  228.751   9.6211 5.656357 10.94463 
1 1 1    7   11   18 o  192.081   5.6496  266.553   12.184  281.083   14.007  221.380   24.698  203.617   5.0764  180.546   10.095 23.07028 11.29911 
1 1 1    7   11   19 o  477.670   7.2223  1547.92   46.751  1547.92   46.751   0.0000   0.0000  477.670   7.2223  ?   ?       ?      ? 
1 1 1    7   11   20 o  322.069   5.8349  703.429   25.466  703.429   25.466   0.0000   0.0000  322.069   5.8349  ?   ?       ?      ? 
1 1 1    7   11   21 o  214.765   5.2032  312.744   15.143  312.744   15.143   0.0000   0.0000  214.765   5.2032  ?   ?       ?      ? 
1 1 1    7   11   22 o  263.337   5.5833  471.863   16.925  472.930   19.379  468.434   34.750  264.086   5.4151  262.589   9.7656 1.497650 11.16650 
1 1 1    7   11   23 o  192.973   5.3672  255.841   11.874  258.627   13.601  246.914   24.348  195.296   5.1392  190.650   9.4243 4.646332 10.73448 
1 1 1    7   11   24 o  220.093   5.3371  324.983   13.560  321.584   15.497  336.086   28.010  217.765   5.2513  222.421   9.2931 -4.656204 10.67411 
1 1 1    7   11   25 o  367.112   6.3333  920.392   27.004  925.043   31.069  906.027   54.602  369.263   6.2089  364.960   11.040 4.302704 12.66651 
1 1 1    7   11   26 o  336.681   6.1304  784.186   24.008  798.219   27.736  742.249   47.948  343.024   5.9667  330.339   10.711 12.68439 12.26082 
1 1 1    7   11   27 f  134.145   5.7440  128.897   8.7790  135.266   10.138  109.802   17.553  141.222   5.2975  127.067   10.194 14.15546 11.48802 
1 1 1    7   11   28 o  177.308   5.2825  208.064   10.782  203.431   12.273  223.732   22.570  173.186   5.2294  181.431   9.1801 -8.244751 10.56508 
1 1 1    7   11   29 o  167.651   5.3298  189.203   10.302  187.724   11.775  194.029   21.274  166.362   5.2230  168.939   9.2924 -2.577591 10.65968 
1 1 1    7   11   30 o  257.504   5.8738  452.280   19.025  455.262   23.011  445.841   33.820  258.986   6.5565  256.023   9.7478 2.963074 11.74769 
1 1 1    7   11   31 o  106.303   6.3158   77.002   8.3117   77.261   9.9212   76.392   15.223  106.677   6.8629  105.929   10.604 0.7474823 12.63150 
1 1 1    7   11   32 o  116.238   6.0164   91.879   8.7731   91.942   10.572   91.740   15.721  116.372   6.7041  116.104   9.9922 0.2681427 12.03283 
1 1 1    7   11   33 o  229.664   4.5769  358.068   14.243  357.326   19.998  358.832   20.291  229.425   6.4323  229.902   6.5129 -0.4772644 9.153859 
1 1 1    7   11   34 o  385.092   5.5302  1007.39   28.853  990.325   40.274  1025.38   41.356  381.749   7.7850  388.435   7.8566 -6.686401 11.06042 
1 1 1    7   11   35 o  324.509   6.2078  707.291   25.751  743.262   45.070  689.858   31.376  330.360   10.067  318.659   7.2660 11.70123 12.41560 
1 1 1    7   11   36 o  149.908   5.5613  149.573   10.705  162.632   18.704  143.211   13.055  154.603   8.9276  145.214   6.6340 9.388107 11.12264 
1 1 1    7   11   37 o  205.736   4.5316  287.280   12.630  280.418   17.608  294.554   18.128  203.207   6.3941  208.264   6.4232 -5.056793 9.063229 
1 1 1    7   11   38 o  318.814   7.2375  690.762   31.268   0.0000   0.0000  690.762   31.268  ?   ?   318.814   7.2375      ?      ? 
1 1 1    7   11   39 o  214.213   4.5817  310.591   13.274  286.067   18.205  338.425   19.395  205.212   6.5466  223.214   6.4118 -18.00275 9.163480 
1 1 1    7   11   40 o  161.018   5.5094  176.042   11.426  177.284   19.491  175.392   14.104  161.357   8.9137  160.680   6.4775 0.6768188 11.01875 
1 1 1    7   11   41 o  135.605   5.8746  127.756   10.196  116.907   17.168  133.668   12.673  130.958   9.6738  140.253   6.6680 -9.295502 11.74924 
1 1 1    7   11   42 o  270.926   6.9449  501.258   25.458  528.602   35.805  473.298   36.206  278.468   9.4881  263.384   10.144 15.08304 13.88973 
1 1 1    7   11   43 o  206.807   9.1365  291.483   25.605   0.0000   0.0000  291.483   25.605  ?   ?   206.807   9.1365      ?      ? 
1 1 1    7   11   44 o   86.124   5.8431   50.677   6.6600   37.283   9.1572   65.718   9.7040   73.954   9.1374   98.294   7.2852 -24.34065 11.68612 
1 1 1    7   11   45 o  223.343   4.6484  338.995   14.066  334.462   19.662  343.748   20.131  221.818   6.5412  224.868   6.6062 -3.050995 9.296762 
1 1 1    7   11   46 o  227.481   4.6792  351.892   14.421  360.567   20.381  343.194   20.408  230.299   6.5306  224.662   6.7032 5.636948 9.358480 
1 1 1    7   11   47 o  144.322   4.7843  141.731   9.3381  153.383   13.297  130.390   13.117  150.197   6.5327  138.448   6.9916 11.74928 9.568669 
1 1 1    7   11   48 o  111.830   5.0981   85.047   7.7212   81.002   10.777   89.313   11.068  109.095   7.2896  114.566   7.1290 -5.470993 10.19610 
1 1 1    7   11   49 o   73.490   6.4517   36.942   6.3272   28.978   8.7485   45.677   9.1618   65.118   9.9140   81.862   8.2588 -16.74375 12.90331 
1 1 1    7   11   50 o  184.206   4.6395  230.699   11.578  226.320   16.132  235.351   16.626  182.408   6.5261  186.004   6.5961 -3.596008 9.278937 
1 1 1    7   11   51 o  189.183   6.6732  243.539   17.108   0.0000   0.0000  243.539   17.108  ?   ?   189.183   6.6732      ?      ? 
1 1 1    7   11   52 o  165.721   4.7105  187.000   10.571  195.519   14.967  178.520   14.932  169.505   6.5158  161.938   6.8044 7.567947 9.420986 
1 1 1    7   11   53 o  143.117   4.8742  139.380   9.4407  129.657   13.158  149.696   13.553  137.962   7.0381  148.273   6.7451 -10.31068 9.748366 
1 1 1    7   11   54 o   67.126   10.544   32.354   9.3413   29.217   12.828   35.895   13.630   63.594   15.109   70.659   14.713 -7.064583 21.08881 
1 1 1    7   11   55 o  200.908   6.7766  276.681   18.445  277.972   25.816  275.335   26.361  201.416   9.4584  200.399   9.7071 1.016922 13.55319 
1 1 1    7   11   56 o   99.177   5.5666   67.138   7.4643   73.643   10.745   61.071   10.377  103.839   7.6358   94.514   8.1020 9.324699 11.13321 
1 1 1    7   11   57 o  102.409   5.5813   72.104   7.6064   55.582   10.565   89.885   10.960   90.067   8.6560  114.750   7.0482 -24.68354 11.16260 
1 1 1    7   11   58 o   52.272   8.4672   19.873   5.9229   15.141   8.4808   24.379   8.2754   46.006   13.018   58.538   10.831 -12.53236 16.93444 
1 1 1    7   11   59 f  125.294   5.1232  107.546   8.6361   91.544   12.049  124.450   12.384  115.620   7.6904  134.968   6.7711 -19.34818 10.24643 
1 1 1    7   11   60 f  101.345   7.9206   71.473   10.852   68.288   15.653   74.422   15.059   99.063   11.660  103.626   10.724 -4.563110 15.84128 
1 1 1    7   11   61 o   84.824   9.3967   53.780   9.8505   30.421   13.926   77.171   13.935   64.016   16.076  105.633   9.7350 -41.61712 18.79347 
1 1 1    7   11   62 o   96.647   5.6066   64.418   7.3224   60.317   10.503   68.295   10.214   93.580   8.2825   99.713   7.5587 -6.132477 11.21312 
1 1 1    7   11   63 o   39.405   8.3313   9.8665   5.5648   0.6318   7.9735   18.636   7.7702   28.212   11.979   50.597   11.582 -22.38514 16.66266 
1 1 1    7   11   64 o   50.134   9.5163   14.091   6.7011   32.658   12.309   6.2702   7.9888   66.400   14.114   33.867   12.769 32.53364 19.03260 
1 1 1    7   11   65 o  128.899   7.1334  116.278   12.447  116.421   18.018  116.147   17.216  128.881   10.316  128.917   9.8546 -0.3611755E-01 14.26679 
1 1 1    7   11   66 o   91.615   6.9878   56.059   8.3239   49.628   10.195   68.917   14.416   84.396   8.9144   98.834   10.763 -14.43725 13.97562 
1 1 1    7   11   67 o   36.061   9.2152   8.1453   5.7879   9.4552   8.3808   6.9510   8.0028   37.719   13.244   34.403   12.817 3.316788 18.43048 
1 1 1    7   11   68 o   89.502   5.9713   55.934   7.2417   55.399   10.150   56.488   10.335   89.078   8.4085   89.926   8.4808 -0.8481064 11.94265 
1 1 1    7   11   69 o   38.423   9.9313   9.0098   6.5528   12.445   10.849   7.0368   8.2219   42.354   15.049   34.492   12.964 7.861813 19.86263 
1 1 1    7   11   70 o   46.033   10.087   16.003   6.7886   15.991   11.281   16.010   8.4998   46.149   15.389   45.918   13.046 0.2318497 20.17495 
1 1 1    7   11   71 o   72.122   9.6581   39.076   9.1922   31.218   12.443   48.517   13.639   63.045   14.815   81.200   12.395 -18.15533 19.31619 
1 1 1    7   11   72 f   60.465   10.520   28.808   8.7578   20.292   12.031   38.408   12.773   50.507   15.814   70.423   13.878 -19.91618 21.04002 
1 1 1    7   11   73 o   64.121   9.3300   32.769   7.5732   27.087   12.782   35.843   9.4008   57.664   15.861   70.578   9.8291 -12.91364 18.65996 
1 1 1    7   11   74 o   85.297   8.8595   54.238   10.201   48.246   13.906   61.217   15.008   80.032   12.822   90.562   12.229 -10.53035 17.71907 
1 1 1    7   11   75 o   41.173   11.063   11.517   8.4894   9.2605   11.337   14.398   12.810   38.435   15.022   43.911   16.244 -5.476402 22.12576 
1 1 1    7   11   76 o   42.359   10.626   8.1215   8.7066  -4.3378   11.225   26.936   13.794   28.457   13.010   56.261   16.805 -27.80343 21.25270 
1 1 1    7   11   77 o   56.340   17.419   27.643   14.649   0.0000   0.0000   27.643   14.649  ?   ?    56.340   17.419      ?      ? 
1 1 1    7   11   78 o   45.585   11.365   16.980   8.7411   18.258   11.432   15.179   13.564   46.998   15.483   44.173   16.641 2.825920 22.72983 
1 1 1    7   11   79 o   52.013   11.220   23.634   8.9499   28.840   11.943   16.965   13.516   58.601   14.982   45.425   16.707 13.17596 22.44072 
1 1 1    7   11   80 o   47.975   11.520   20.107   9.0864   23.169   12.179   16.264   13.645   51.540   15.874   44.411   16.699 7.128696 23.04040 
1 1 1    7   11   81 o   43.864   11.401   16.315   8.9477   17.976   12.085   14.300   13.312   45.533   15.908   42.195   16.337 3.338371 22.80295 
1 1 1    7   11   82 o   54.357   11.824   27.641   9.6468   24.225   13.861   30.850   13.434   50.738   17.058   57.976   16.377 -7.238529 23.64728 
1 1 1    7   11   83 o   31.059   9.7869   0.0676   8.5166   6.8041   12.357  -6.0281   11.754   35.025   14.893   27.094   12.702 7.931211 19.57382 
1 1 1    7   11   84 o   47.368   11.163   20.205   9.6020   6.2864   13.551   34.238   13.607   34.924   15.226   59.811   16.330 -24.88694 22.32679 
1 1 1    7   11   85 o   49.116   12.057   25.155   9.8090   25.356   14.010   24.962   13.738   49.209   17.132   49.022   16.971 0.1869621 24.11454 
1 1 1    7   11   86 o   56.924   17.491   35.219   14.797   35.219   14.797   0.0000   0.0000   56.924   17.491  ?   ?       ?      ? 
1 1 1    7   12    0 o  387.645   5.5978  1016.97   29.367  970.923   40.291  1069.16   42.894  378.310   7.8592  396.980   7.9735 -18.67096 11.19568 
1 1 1    7   12    1 o  323.543   5.1286  709.702   22.475  700.180   31.215  719.952   32.386  321.294   7.1693  325.791   7.3357 -4.496887 10.25721 
1 1 1    7   12    2 o  147.271   4.6847  147.444   9.3253  154.124   12.934  140.214   13.457  150.758   6.3312  143.783   6.9065 6.975632 9.369324 
1 1 1    7   12    3 o  109.143   5.1354   80.866   7.5718   81.654   10.337   79.953   11.123  109.723   6.9519  108.563   7.5605 1.159439 10.27083 
1 1 1    7   12    4 o  434.250   5.9518  1279.42   35.016  1270.71   48.928  1288.56   50.135  432.741   8.3434  435.759   8.4901 -3.017761 11.90355 
1 1 1    7   12    5 o  382.226   6.8478  996.899   33.606  976.112   57.307  1007.79   41.489  379.048   11.156  385.404   7.9439 -6.355499 13.69569 
1 1 1    7   12    6 o  182.797   5.7708  225.990   13.517  229.026   23.347  224.459   16.578  183.674   9.3800  181.919   6.7248 1.755447 11.54156 
1 1 1    7   12    7 o  216.721   5.7086  315.880   15.862  327.362   27.513  310.163   19.413  219.596   9.2454  213.846   6.6989 5.749710 11.41724 
1 1 1    7   12    8 o  344.221   6.4828  805.651   28.596  800.465   49.141  808.307   35.163  343.274   10.564  345.168   7.5176 -1.894592 12.96560 
1 1 1    7   12    9 o  233.766   5.8683  380.147   17.624  340.065   29.255  402.981   22.081  223.785   9.6468  243.746   6.6848 -19.96152 11.73656 
1 1 1    7   12   10 o  140.611   5.8903  133.455   10.683  136.574   18.243  131.827   13.179  141.819   9.4926  139.403   6.9765 2.416504 11.78050 
1 1 1    7   12   11 o  275.503   6.0562  507.997   20.864  496.878   24.941  533.918   38.081  270.645   6.8003  280.362   10.023 -9.717773 12.11242 
1 1 1    7   12   12 o  244.906   5.3096  406.690   17.621  406.690   17.621   0.0000   0.0000  244.906   5.3096  ?   ?       ?      ? 
1 1 1    7   12   13 o  208.397   5.1873  294.473   14.649  294.473   14.649   0.0000   0.0000  208.397   5.1873  ?   ?       ?      ? 
1 1 1    7   12   14 f  322.004   5.8198  703.201   25.395  703.201   25.395   0.0000   0.0000  322.004   5.8198  ?   ?       ?      ? 
1 1 1    7   12   15 o  412.497   6.7744  1152.73   32.127  1149.91   36.723  1161.94   66.325  411.707   6.5821  413.288   11.842 -1.580902 13.54873 
1 1 1    7   12   16 o  290.213   5.8990  588.420   19.707  604.200   22.711  540.337   39.645  298.478   5.6150  281.948   10.376 16.52988 11.79799 
1 1 1    7   12   17 o  168.317   5.5958  198.267   10.537  203.132   11.993  181.802   22.065  173.077   5.1134  163.556   9.9552 9.520828 11.19165 
1 1 1    7   12   18 o  304.382   5.8843  624.279   20.512  620.102   23.381  638.234   42.736  302.365   5.7061  306.398   10.293 -4.033112 11.76857 
1 1 1    7   12   19 o  336.605   6.0711  755.495   23.386  743.644   26.591  795.955   49.132  331.097   5.9265  342.112   10.598 -11.01443 12.14230 
1 1 1    7   12   20 o  289.539   5.7615  564.509   19.158  560.316   21.860  578.389   39.776  287.413   5.6126  291.665   10.064 -4.251587 11.52301 
1 1 1    7   12   21 o  119.882   5.9261   91.901   8.9628   83.090   10.647  113.333   16.605  110.639   7.1014  129.125   9.4893 -18.48536 11.85227 
1 1 1    7   12   22 o  226.643   5.7218  343.301   16.251  334.578   19.446  363.505   29.594  222.044   6.4626  231.242   9.4440 -9.198090 11.44352 
1 1 1    7   12   23 o  303.695   6.1833  622.042   23.616  614.258   28.426  639.385   42.431  300.812   6.9733  306.577   10.213 -5.765137 12.36667 
1 1 1    7   12   24 o  190.601   5.7532  246.702   13.653  246.554   16.350  247.043   24.818  190.605   6.3300  190.597   9.6088 0.8514404E-02 11.50641 
1 1 1    7   12   25 o  289.211   6.0334  554.199   21.873  532.360   26.099  605.734   40.092  280.030   6.8776  298.392   9.9150 -18.36264 12.06684 
1 1 1    7   12   26 o  212.345   5.6961  302.003   15.202  294.970   18.243  317.985   27.500  208.462   6.4577  216.228   9.3851 -7.766220 11.39223 
1 1 1    7   12   27 o  182.173   5.4320  225.455   11.456  225.458   13.143  225.445   23.367  182.299   5.3203  182.046   9.4721 0.2526703 10.86400 
1 1 1    7   12   28 o  335.565   6.0685  751.573   23.450  739.380   26.736  792.229   48.821  330.066   5.9775  341.064   10.563 -10.99826 12.13701 
1 1 1    7   12   29 f  234.499   5.5576  377.767   15.041  381.560   17.278  365.895   30.566  237.140   5.3766  231.858   9.7284 5.282608 11.11528 
1 1 1    7   12   30 o  133.788   5.9984  120.079   10.222  117.047   12.411  126.475   18.027  131.274   6.9764  136.302   9.7597 -5.027344 11.99674 
1 1 1    7   12   31 o  265.408   6.0302  484.867   20.326  496.246   24.909  462.191   35.163  270.305   6.8003  260.511   9.9605 9.794525 12.06049 
1 1 1    7   12   32 o  255.116   5.9706  446.945   19.363  455.350   23.719  430.158   33.523  258.920   6.7601  251.312   9.8434 7.607941 11.94117 
1 1 1    7   12   33 o   82.886   7.7270   51.164   6.8741   54.399   7.8994   41.072   13.952   89.497   6.5133   76.275   14.014 13.22247 15.45410 
1 1 1    7   12   34 o  229.839   4.6182  358.575   14.379  349.658   20.014  368.089   20.672  226.889   6.5092  232.789   6.5528 -5.899292 9.236301 
1 1 1    7   12   35 o  209.715   6.4463  298.741   18.320   0.0000   0.0000  298.741   18.320  ?   ?   209.715   6.4463      ?      ? 
1 1 1    7   12   36 o  206.753   4.5887  290.399   12.856  287.394   18.155  293.421   18.208  205.679   6.5136  207.828   6.4651 -2.149323 9.177411 
1 1 1    7   12   37 o   80.846   8.7804   44.357   9.2879   35.978   12.235   55.750   14.268   71.380   13.133   90.313   11.658 -18.93304 17.56078 
1 1 1    7   12   38 o  193.944   6.3940  255.943   16.793  243.564   23.320  269.276   24.202  189.072   9.1018  198.816   8.9827 -9.743912 12.78795 
1 1 1    7   12   39 o  241.743   5.6563  388.319   17.562  369.610   21.400  426.914   30.736  233.187   6.7721  250.299   9.0617 -17.11179 11.31263 
1 1 1    7   12   40 o  202.742   4.6421  279.399   12.750  288.315   18.076  270.571   17.986  205.970   6.4760  199.514   6.6525 6.455383 9.284149 
1 1 1    7   12   41 o   60.233   7.6429   26.092   5.9090   15.217   8.2813   37.372   8.4340   46.392   12.770   74.073   8.4022 -27.68047 15.28584 
1 1 1    7   12   42 o   75.328   6.3991   38.939   6.4036   48.946   9.2234   29.627   8.8975   84.783   8.0279   65.873   9.9673 18.90934 12.79819 
1 1 1    7   12   43 o  136.692   4.8596  127.010   8.9979  121.869   12.579  132.397   12.876  133.856   6.9348  139.528   6.8097 -5.671982 9.719199 
1 1 1    7   12   44 o  116.103   5.1855   91.934   8.1228  102.482   11.543   81.587   11.432  122.741   6.9400  109.465   7.7068 13.27580 10.37104 
1 1 1    7   12   45 o  108.400   5.2306   79.956   7.6813   77.258   10.752   82.768   10.978  106.530   7.4477  110.270   7.3463 -3.740005 10.46119 
1 1 1    7   12   46 o   79.463   6.1411   43.166   6.5932   39.500   9.3508   46.791   9.2979   76.076   9.0702   82.850   8.2815 -6.773285 12.28218 
1 1 1    7   12   47 f  119.679   5.0952   97.513   8.2635   97.006   11.672   98.022   11.701  119.367   7.2157  119.992   7.1958 -0.6254349 10.19047 
1 1 1    7   12   48 o  135.448   4.8785  124.892   8.9536  126.642   12.640  123.128   12.685  136.406   6.8380  134.489   6.9600 1.916550 9.757063 
1 1 1    7   12   49 o  169.420   4.7230  195.372   10.840  202.044   15.391  188.806   15.269  172.300   6.5919  166.540   6.7658 5.759964 9.446096 
1 1 1    7   12   50 o  175.118   4.7601  208.795   11.294  203.794   15.908  213.879   16.038  172.996   6.7856  177.239   6.6776 -4.242386 9.520226 
1 1 1    7   12   51 o  186.265   5.7968  236.571   13.795  237.950   23.908  235.883   16.891  186.432   9.4631  186.099   6.6978 0.3331451 11.59355 
1 1 1    7   12   52 o  215.577   6.0238  320.629   16.448  326.100   20.078  309.470   28.677  218.755   6.7731  212.400   9.9633 6.354660 12.04754 
1 1 1    7   12   53 o  181.406   6.0725  229.244   13.826  236.458   16.814  214.180   24.297  186.250   6.6617  176.562   10.155 9.688629 12.14504 
1 1 1    7   12   54 o  154.783   4.8856  163.481   10.246  167.536   14.527  159.466   14.453  156.704   6.8407  152.862   6.9772 3.841751 9.771249 
1 1 1    7   12   55 o  162.495   4.7791  180.134   10.517  171.298   14.708  189.380   15.045  158.402   6.8517  166.587   6.6644 -8.184631 9.558268 
1 1 1    7   12   56 o  136.154   4.9816  126.636   9.1874  121.410   12.842  132.114   13.149  133.268   7.1109  139.041   6.9787 -5.773102 9.963285 
1 1 1    7   12   57 o   70.952   8.8031   39.702   7.5419   48.735   9.5081   24.376   12.385   84.248   8.3282   57.656   15.512 26.59159 17.60612 
1 1 1    7   12   58 o   88.237   5.9682   53.613   7.1232   49.974   10.081   57.241   10.066   85.197   8.7318   91.276   8.1383 -6.079109 11.93633 
1 1 1    7   12   59 o   49.125   9.8722   16.110   6.5802   22.858   11.603   12.911   7.9891   55.679   15.028   42.570   12.806 13.10857 19.74433 
1 1 1    7   12   60 o   34.873   9.4721   6.2322   6.2592   2.2250   10.723   8.3031   7.7087   33.595   14.056   36.152   12.701 -2.557270 18.94428 
1 1 1    7   12   61 o   76.350   6.3791   40.437   6.5932   38.978   9.4162   41.842   9.2348   74.949   9.2709   77.751   8.7648 -2.801811 12.75819 
1 1 1    7   12   62 o   41.537   8.5561   11.929   5.6855   3.7765   8.1872   19.522   7.9015   31.401   12.606   51.673   11.572 -20.27171 17.11225 
1 1 1    7   12   63 o   52.858   8.4303   20.735   5.9228   16.874   8.5080   24.365   8.2503   47.753   12.860   57.964   10.904 -10.21150 16.86053 
1 1 1    7   12   64 o   96.393   5.7180   64.552   7.4595   61.214   10.594   67.836   10.506   93.848   8.3297   98.937   7.8357 -5.088951 11.43602 
1 1 1    7   12   65 o   80.273   6.2900   45.130   6.8307   42.631   9.7272   47.561   9.5943   77.989   9.2039   82.557   8.5759 -4.568008 12.58004 
1 1 1    7   12   66 o   85.323   8.3267   56.647   8.3380   42.912   14.379   63.605   10.234   75.077   14.659   95.570   7.9024 -20.49214 16.65347 
1 1 1    7   12   67 o   56.381   9.5733   24.138   6.9862   24.474   11.826   23.958   8.6585   56.030   15.193   56.732   11.652 -0.7025642 19.14661 
1 1 1    7   12   68 o   79.812   12.462   46.707   13.478   46.707   13.478   0.0000   0.0000   79.812   12.462  ?   ?       ?      ? 
1 1 1    7   12   69 o   97.890   8.0827   69.774   10.722   70.086   15.139   69.459   15.187   98.138   11.384   97.642   11.478 0.4957886 16.16533 
1 1 1    7   12   70 o   80.249   9.4858   49.442   9.9098   57.725   13.837   40.721   14.199   88.780   11.502   71.718   15.088 17.06240 18.97158 
1 1 1    7   12   71 o   44.014   15.448   14.613   11.401   14.613   11.401   0.0000   0.0000   44.014   15.448  ?   ?       ?      ? 
1 1 1    7   12   72 o   63.403   10.772   31.878   9.4026   20.761   12.607   45.811   14.114   50.456   16.235   76.350   14.163 -25.89390 21.54485 
1 1 1    7   12   73 o   96.448   8.4690   69.314   10.984   58.872   15.124   80.973   15.980   88.264   12.644  104.632   11.270 -16.36742 16.93803 
1 1 1    7   12   74 o   54.961   11.379   25.336   9.0101   25.175   12.442   25.514   13.065   54.911   15.843   55.010   16.337 -0.9868622E-01 22.75783 
1 1 1    7   12   75 o   64.375   11.000   33.304   9.3950   27.214   12.096   42.565   14.916   57.202   15.304   71.548   15.805 -14.34655 22.00075 
1 1 1    7   12   76 o   54.223   17.496   25.908   14.634   0.0000   0.0000   25.908   14.634  ?   ?    54.223   17.496      ?      ? 
1 1 1    7   12   77 o   29.371   13.513  -4.5878   12.373   0.0000   0.0000  -4.5878   12.373  ?   ?    29.371   13.513      ?      ? 
1 1 1    7   12   78 o   54.941   11.077   26.860   9.2751   35.947   12.587   16.063   13.720   65.642   14.533   44.239   16.720 21.40371 22.15386 
1 1 1    7   12   79 o   30.892   9.6494   0.1985   8.1593   5.3861   11.168  -5.7397   11.949   33.854   14.264   27.930   12.999 5.924282 19.29882 
1 1 1    7   12   80 f   37.041   10.686   8.6186   8.6794   13.576   12.213   3.5593   12.337   40.844   15.693   33.238   14.508 7.605949 21.37234 
1 1 1    7   12   81 o   44.275   11.475   17.854   9.0246   16.550   12.907   19.101   12.623   43.055   16.231   45.495   16.225 -2.439526 22.94975 
1 1 1    7   12   82 o   51.640   11.191   24.869   9.6079   11.378   13.397   39.155   13.786   38.316   15.844   64.965   15.810 -26.64836 22.38229 
1 1 1    7   12   83 o   33.141   10.225   4.8529   8.8160  -0.0705   12.481   9.7558   12.455   30.091   13.742   36.190   15.146 -6.099968 20.45088 
1 1 1    7   12   84 o   49.148   11.811   25.387   9.7191   18.076   13.426   33.435   14.087   42.076   16.375   56.221   17.025 -14.14592 23.62216 
1 1 1    7   13    0 o  141.231   6.3388  135.703   10.726  135.973   12.530  134.961   20.745  141.573   6.5314  140.890   10.866 0.6829376 12.67763 
1 1 1    7   13    1 o  190.826   6.3689  247.027   16.470  247.027   16.470   0.0000   0.0000  190.826   6.3689  ?   ?       ?      ? 
1 1 1    7   13    2 f  158.311   5.6610  171.934   11.371  175.392   13.908  164.963   19.748  160.792   6.3828  155.831   9.3514 4.961670 11.32207 
1 1 1    7   13    3 o  269.172   5.9006  492.380   20.170  493.189   24.573  490.710   35.314  269.609   6.7257  268.734   9.6972 0.8752747 11.80125 
1 1 1    7   13    4 o  202.884   5.6138  279.297   14.476  279.033   17.638  279.841   25.338  202.805   6.4179  202.964   9.2125 -0.1583710 11.22763 
1 1 1    7   13    5 o  263.825   5.8872  476.126   19.745  482.944   24.158  462.406   34.270  266.792   6.6820  260.859   9.6946 5.933258 11.77431 
1 1 1    7   13    6 o  243.401   4.7864  399.321   15.724  373.115   21.113  431.959   23.562  234.501   6.6440  252.302   6.8916 -17.80144 9.572703 
1 1 1    7   13    7 o  250.219   4.7848  423.759   16.193  408.558   22.081  441.443   23.817  245.383   6.6403  255.054   6.8909 -9.670502 9.569634 
1 1 1    7   13    8 o  319.075   5.1309  690.538   22.169  679.704   30.662  702.403   32.089  316.463   7.1498  321.687   7.3611 -5.224579 10.26184 
1 1 1    7   13    9 o  263.323   4.8364  469.833   17.234  457.920   23.639  483.350   25.179  259.772   6.7150  266.873   6.9622 -7.100677 9.672863 
1 1 1    7   13   10 o  289.164   4.9692  567.868   19.457  579.509   27.174  555.620   27.874  292.218   6.8622  286.109   7.1892 6.108856 9.938478 
1 1 1    7   13   11 o  251.303   4.7950  426.264   16.281  398.259   22.021  460.033   24.181  242.252   6.7079  260.354   6.8538 -18.10185 9.590070 
1 1 1    7   13   12 o  215.135   5.4781  296.530   13.143  284.076   14.704  346.021   29.314  204.656   5.3020  225.614   9.5878 -20.95850 10.95615 
1 1 1    7   13   13 o  113.190   6.3677   90.690   7.7847   93.246   8.7597   81.088   16.978  117.246   5.5133  109.134   11.480 8.112152 12.73538 
1 1 1    7   13   14 o  235.199   5.7208  390.457   15.243  403.563   17.481  348.870   31.139  243.923   5.2884  226.476   10.146 17.44714 11.44152 
1 1 1    7   13   15 o  301.488   5.9486  622.065   20.533  626.062   23.481  609.073   42.331  303.782   5.7039  299.194   10.441 4.587555 11.89711 
1 1 1    7   13   16 o  191.632   5.4821  240.181   11.758  233.415   13.212  265.959   25.787  185.503   5.2556  197.761   9.6224 -12.25781 10.96413 
1 1 1    7   13   17 o  106.033   6.6568   79.905   7.6191   82.354   8.5780   70.754   16.583  110.173   5.7455  101.892   12.010 8.281464 13.31366 
1 1 1    7   13   18 o  206.199   5.5817  290.631   12.999  292.108   14.775  285.571   27.347  207.514   5.2543  204.884   9.8496 2.629944 11.16342 
1 1 1    7   13   19 o  240.850   5.8012  417.037   15.946  439.231   18.449  351.492   31.704  254.451   5.3503  227.249   10.295 27.20265 11.60243 
1 1 1    7   13   20 o  374.320   6.4756  958.632   28.054  964.034   32.231  941.752   56.977  376.869   6.3111  371.771   11.310 5.098114 12.95124 
1 1 1    7   13   21 o  373.126   6.4895  953.355   28.009  959.375   32.178  934.530   56.898  375.947   6.3162  370.306   11.338 5.640625 12.97900 
1 1 1    7   13   22 o  301.459   5.9005  605.209   20.307  594.795   23.059  641.187   42.859  296.056   5.7477  306.862   10.307 -10.80664 11.80099 
1 1 1    7   13   23 o  216.395   5.5682  321.428   13.735  324.208   15.686  312.293   28.437  218.596   5.2953  214.193   9.7969 4.403595 11.13644 
1 1 1    7   13   24 o  130.720   5.7592  112.346   8.5951  109.239   9.7372  123.309   18.290  126.872   5.6635  134.568   10.030 -7.695313 11.51840 
1 1 1    7   13   25 o  261.050   6.0666  469.284   20.006  480.049   24.397  447.181   34.959  265.863   6.7716  256.237   10.068 9.625702 12.13311 
1 1 1    7   13   26 o  275.295   6.1293  522.631   21.334  535.962   26.053  495.498   37.168  280.902   6.8440  269.688   10.170 11.21381 12.25853 
1 1 1    7   13   27 o   93.575   6.5568   56.408   7.1786   53.521   8.1844   66.036   14.946   88.765   6.8040   98.385   11.210 -9.620712 13.11351 
1 1 1    7   13   28 o  227.230   5.5306  344.894   14.404  339.646   16.393  362.673   30.174  223.707   5.4074  230.752   9.6494 -7.045029 11.06126 
1 1 1    7   13   29 o  216.276   5.6540  328.369   14.056  338.144   16.204  298.654   28.251  223.209   5.3570  209.343   9.9586 13.86609 11.30803 
1 1 1    7   13   30 o  162.005   5.6301  179.952   10.472  181.252   11.993  175.780   21.485  163.411   5.4158  160.598   9.8722 2.813583 11.26011 
1 1 1    7   13   31 o  170.550   5.8339  190.956   12.619  179.234   15.146  217.556   22.816  162.404   6.8820  178.697   9.4220 -16.29271 11.66773 
1 1 1    7   13   32 o  304.442   6.3582  634.034   24.645  639.490   30.156  623.060   42.765  306.697   7.2558  302.187   10.443 4.509491 12.71632 
1 1 1    7   13   33 o  269.688   6.9963  494.415   25.510  473.902   34.679  518.605   37.659  263.644   9.7065  275.732   10.079 -12.08762 13.99262 
1 1 1    7   13   34 o  216.817   6.7331  319.510   19.783  319.510   19.783   0.0000   0.0000  216.817   6.7331  ?   ?       ?      ? 
1 1 1    7   13   35 o  241.537   5.5578  396.154   18.192  396.154   18.192   0.0000   0.0000  241.537   5.5578  ?   ?       ?      ? 
1 1 1    7   13   36 o  154.542   5.6442  159.642   10.159  156.915   11.642  168.349   20.801  152.002   5.6517  157.081   9.7717 -5.078491 11.28837 
1 1 1    7   13   37 o  235.982   5.5500  359.639   15.120  343.293   17.150  416.692   32.040  224.822   5.6291  247.141   9.5667 -22.31799 11.09992 
1 1 1    7   13   38 o  187.678   5.8714  233.324   13.891  222.667   16.635  257.879   25.251  180.958   6.7836  194.398   9.5851 -13.43964 11.74271 
1 1 1    7   13   39 o  244.040   4.7973  404.923   15.863  395.934   22.263  414.194   22.608  241.286   6.8087  246.794   6.7601 -5.507721 9.594623 
1 1 1    7   13   40 o  133.723   4.9868  121.237   9.0092  135.381   13.133  108.666   12.382  141.078   6.8697  126.368   7.2304 14.70982 9.973502 
1 1 1    7   13   41 o   77.058   6.2752   40.436   6.5455   41.867   9.5337   39.160   9.0026   78.339   8.9806   75.777   8.7670 2.562096 12.55031 
1 1 1    7   13   42 o   61.752   7.5454   26.682   6.1274   24.722   9.0022   28.374   8.3639   59.051   11.663   64.454   9.5758 -5.402233 15.09076 
1 1 1    7   13   43 o  244.464   4.7974  406.608   15.892  402.109   22.387  411.178   22.564  243.100   6.7957  245.829   6.7734 -2.729492 9.594791 
1 1 1    7   13   44 o  185.773   4.7560  234.786   11.966  223.732   16.779  246.226   17.070  181.312   6.8290  190.233   6.6215 -8.921494 9.512094 
1 1 1    7   13   45 o  207.116   4.7330  291.961   13.284  291.380   18.858  292.533   18.714  206.907   6.7258  207.324   6.6610 -0.4179382 9.466004 
1 1 1    7   13   46 o  134.771   5.0284  123.588   9.1747  131.520   13.196  116.166   12.765  138.963   7.0075  130.579   7.2135 8.383560 10.05687 
1 1 1    7   13   47 o   85.943   7.7495   52.294   8.2650   46.623   14.614   54.961   10.022   82.163   13.126   89.723   8.2424 -7.559998 15.49891 
1 1 1    7   13   48 o  101.627   6.9055   71.197   8.8357   69.617   15.628   71.940   10.712  100.576   11.466  102.677   7.6989 -2.101395 13.81099 
1 1 1    7   13   49 o  181.279   4.7695  223.951   11.716  226.904   16.630  221.042   16.508  182.468   6.7256  180.089   6.7645 2.378159 9.538932 
1 1 1    7   13   50 o  150.463   4.9915  153.973   10.143  137.077   13.960  172.868   14.763  141.715   7.2692  159.211   6.8425 -17.49536 9.983014 
1 1 1    7   13   51 o  177.013   6.0866  218.590   13.578  225.913   16.580  203.676   23.660  181.978   6.7231  172.047   10.148 9.931015 12.17326 
1 1 1    7   13   52 o  117.595   6.7599   97.047   9.9702  100.564   12.138   89.754   17.480  121.287   7.3852  113.903   11.324 7.384102 13.51974 
1 1 1    7   13   53 o   60.394   9.2420   27.814   7.2517   32.791   9.1079   19.195   11.985   68.986   9.7426   51.802   15.708 17.18402 18.48401 
1 1 1    7   13   54 o   95.021   7.0230   64.517   8.5136   69.860   10.682   55.211   14.097  100.945   7.8085   89.098   11.676 11.84695 14.04603 
1 1 1    7   13   55 o   67.905   7.3585   32.659   6.5038   26.221   9.1653   39.189   9.2306   60.407   11.618   75.403   9.0336 -14.99583 14.71699 
1 1 1    7   13   56 o   71.357   6.7321   35.184   6.4846   39.524   9.3506   31.164   9.0007   75.651   9.1210   67.062   9.9041 8.588890 13.46418 
1 1 1    7   13   57 o  128.329   5.0705  113.087   8.8060  105.937   12.402  120.356   12.505  124.190   7.3695  132.467   6.9664 -8.277725 10.14101 
1 1 1    7   13   58 o   73.343   7.7049   35.580   7.3910   45.930   12.646   30.212   9.1086   80.855   11.542   65.831   10.210 15.02332 15.40985 
1 1 1    7   13   59 o   49.282   9.1305   19.235   6.5545   8.6598   10.832   25.344   8.2326   39.225   14.849   59.339   10.628 -20.11346 18.26099 
1 1 1    7   13   60 o   49.667   8.5540   18.238   5.7128   16.642   8.2386   19.716   7.9285   47.475   12.597   51.859   11.575 -4.383228 17.10797 
1 1 1    7   13   61 o   88.522   5.8378   54.695   6.9614   49.078   9.9918   59.992   9.7044   83.941   8.7839   93.102   7.6917 -9.161201 11.67557 
1 1 1    7   13   62 o   95.938   5.6322   64.076   7.3008   58.920   10.374   69.135   10.277   91.999   8.3208   99.878   7.5928 -7.879753 11.26438 
1 1 1    7   13   63 o   60.501   9.2895   24.137   7.0262   39.356   12.894   17.709   8.3798   72.418   13.639   48.585   12.616 23.83298 18.57902 
1 1 1    7   13   64 o   42.795   9.1915   14.155   6.6638   0.4674   11.670   20.777   8.1173   32.795   14.214   52.796   11.657 -20.00096 18.38300 
1 1 1    7   13   65 o   89.052   7.2397   55.373   8.2837   60.608   14.420   52.794   10.120   91.464   11.634   86.640   8.6195 4.824081 14.47940 
1 1 1    7   13   66 o   82.979   7.4710   46.616   7.9684   59.103   14.221   40.902   9.6203   90.077   11.651   75.881   9.3556 14.19566 14.94194 
1 1 1    7   13   67 o   60.290   9.5054   29.302   7.4238   22.479   12.672   32.867   9.1602   52.903   16.176   67.676   9.9882 -14.77270 19.01089 
1 1 1    7   13   68 o   52.866   10.431   22.399   8.6371   33.850   11.811   9.2358   12.663   65.990   13.658   39.743   15.770 26.24731 20.86199 
1 1 1    7   13   69 o   80.789   9.0344   48.751   9.8562   45.690   13.276   52.509   14.711   78.125   12.540   83.452   13.009 -5.326706 18.06877 
1 1 1    7   13   70 o   46.112   15.561   16.804   11.535   16.804   11.535   0.0000   0.0000   46.112   15.561  ?   ?       ?      ? 
1 1 1    7   13   71 o   56.746   15.445   26.555   12.195   26.555   12.195   0.0000   0.0000   56.746   15.445  ?   ?       ?      ? 
1 1 1    7   13   72 o   35.868   10.410   6.4242   8.0546   6.8434   10.653   5.8649   12.307   35.557   14.343   36.180   15.091 -0.6229630 20.81963 
1 1 1    7   13   73 o   49.715   11.190   20.791   8.5336   22.617   11.344   18.410   12.952   52.167   15.150   47.264   16.471 4.903324 22.37926 
1 1 1    7   13   74 o   60.456   11.254   31.022   9.2842   30.108   12.304   32.231   14.148   59.999   15.134   60.913   16.659 -0.9142342 22.50744 
1 1 1    7   13   75 o   80.087   14.572   52.603   15.233   0.0000   0.0000   52.603   15.233  ?   ?    80.087   14.572      ?      ? 
1 1 1    7   13   76 o   26.432   12.488  -8.8128   11.757   0.0000   0.0000  -8.8128   11.757  ?   ?    26.432   12.488      ?      ? 
1 1 1    7   13   77 o   39.392   10.292   6.9922   8.3761  -5.7905   11.009   24.565   12.908   26.715   12.448   52.069   16.393 -25.35459 20.58329 
1 1 1    7   13   78 f   38.704   10.888   11.193   8.6492   13.628   11.620   8.1685   12.951   40.684   15.385   36.723   15.411 3.960415 21.77626 
1 1 1    7   13   79 o   48.355   10.925   18.750   9.3710   3.9093   12.543   37.497   14.098   33.189   14.554   63.520   16.297 -30.33134 21.85011 
1 1 1    7   13   80 o   46.600   11.341   19.525   9.5643   7.7535   13.205   32.516   13.872   35.631   15.279   57.568   16.763 -21.93745 22.68140 
1 1 1    7   13   81 o   44.163   10.921   17.161   9.3440   31.293   13.185   2.9044   13.244   56.110   16.344   32.215   14.489 23.89462 21.84177 
1 1 1    7   13   82 o   33.805   10.427   7.0700   8.9974   7.0487   12.558   7.0925   12.897   33.707   14.677   33.903   14.815 -0.1961174 20.85475 
1 1 1    7   14    0 f  317.484   6.2324  689.513   25.888  667.703   42.207  702.667   32.778  313.299   9.9413  321.668   7.5196 -8.368896 12.46485 
1 1 1    7   14    1 o  319.669   6.3307  699.871   25.829  710.593   31.733  678.822   44.462  323.502   7.2385  315.837   10.388 7.665771 12.66147 
1 1 1    7   14    2 o  218.801   4.7955  326.309   14.161  350.437   19.694  300.481   20.376  227.232   6.3955  210.370   7.1474 16.86224 9.591001 
1 1 1    7   14    3 o  176.284   4.7701  209.300   11.348  192.369   15.237  230.392   17.006  168.344   6.6791  184.224   6.8121 -15.88080 9.540129 
1 1 1    7   14    4 o  323.737   5.2192  712.218   22.881  735.522   32.153  688.308   32.568  329.123   7.2090  318.351   7.5492 10.77148 10.43843 
1 1 1    7   14    5 o  226.918   4.7828  347.824   14.664  327.633   19.830  372.190   21.784  219.694   6.6607  234.143   6.8654 -14.44933 9.565539 
1 1 1    7   14    6 o  303.795   5.1166  624.659   21.020  596.175   28.622  658.013   30.972  296.311   7.1280  311.279   7.3424 -14.96783 10.23321 
1 1 1    7   14    7 o  222.684   4.7918  334.751   14.409  314.949   19.408  359.073   21.509  215.395   6.6491  229.972   6.9017 -14.57719 9.583523 
1 1 1    7   14    8 o  156.550   6.3347  172.113   12.012  179.531   14.284  154.196   22.198  162.630   6.4812  150.471   10.886 12.15900 12.66936 
1 1 1    7   14    9 o  281.107   6.2192  537.513   21.882  537.961   26.323  536.510   39.370  281.479   6.9008  280.735   10.349 0.7446899 12.43844 
1 1 1    7   14   10 o  298.022   6.2952  598.700   23.476  590.497   28.135  617.507   42.598  294.886   7.0405  301.158   10.438 -6.271881 12.59046 
1 1 1    7   14   11 o  153.906   6.0753  162.136   11.520  163.718   13.727  158.366   21.188  155.294   6.5227  152.519   10.251 2.774887 12.15054 
1 1 1    7   14   12 o  184.701   5.8943  229.039   13.465  225.026   15.980  238.865   25.006  182.063   6.4769  187.340   9.8498 -5.277573 11.78851 
1 1 1    7   14   13 o  141.680   6.1574  132.549   10.700  127.528   12.568  145.779   20.400  137.044   6.7672  146.316   10.289 -9.272858 12.31477 
1 1 1    7   14   14 o  238.868   6.0386  392.475   17.981  399.768   21.660  376.308   32.249  242.648   6.5871  235.089   10.123 7.559464 12.07727 
1 1 1    7   14   15 o  192.426   5.8653  243.855   13.998  232.968   16.547  271.250   26.249  185.230   6.5920  199.623   9.7033 -14.39313 11.73066 
1 1 1    7   14   16 o  247.165   6.1118  425.012   18.960  442.247   23.108  389.502   33.169  255.195   6.6820  239.135   10.236 16.05966 12.22354 
1 1 1    7   14   17 o  247.926   6.0318  412.289   18.678  403.524   22.312  432.818   34.146  243.754   6.7547  252.098   9.9952 -8.343796 12.06356 
1 1 1    7   14   18 o  301.801   7.2645  619.747   29.663  606.877   40.646  634.411   43.388  298.490   10.049  305.113   10.494 -6.623474 14.52903 
1 1 1    7   14   19 o  291.868   7.2383  581.029   28.583  592.339   39.550  568.663   41.355  294.898   9.8968  288.839   10.565 6.058868 14.47670 
1 1 1    7   14   20 o  294.098   7.2744  590.101   28.951  623.639   40.841  556.228   41.045  302.559   9.9611  285.636   10.604 16.92267 14.54871 
1 1 1    7   14   21 o  279.382   6.3111  542.628   22.244  564.263   27.222  499.163   38.584  288.185   6.9706  270.579   10.523 17.60541 12.62220 
1 1 1    7   14   22 o  189.493   5.9057  241.985   14.021  238.344   16.816  250.292   25.399  187.316   6.6246  191.669   9.7788 -4.352203 11.81140 
1 1 1    7   14   23 o  130.027   6.3948  118.423   10.326  123.934   12.503  106.596   18.315  135.058   6.8314  124.996   10.812 10.06184 12.78965 
1 1 1    7   14   24 o  158.363   5.9332  167.928   11.870  163.321   14.295  178.157   21.302  155.036   6.8041  161.689   9.7220 -6.652435 11.86650 
1 1 1    7   14   25 f  159.742   6.0676  176.677   12.163  181.939   14.777  165.623   21.419  163.638   6.6639  155.845   10.142 7.793091 12.13518 
1 1 1    7   14   26 o  260.044   6.0864  454.513   19.938  444.800   23.985  476.231   35.867  255.824   6.9186  264.265   10.015 -8.441681 12.17274 
1 1 1    7   14   27 o  270.694   5.8052  486.672   18.118  476.208   20.644  521.746   37.798  264.819   5.7527  276.569   10.085 -11.74957 11.61040 
1 1 1    7   14   28 o  218.051   9.3689  324.070   27.684  324.070   27.684   0.0000   0.0000  218.051   9.3689  ?   ?       ?      ? 
1 1 1    7   14   29 o  178.655   5.5693  216.730   13.483  216.730   13.483   0.0000   0.0000  178.655   5.5693  ?   ?       ?      ? 
1 1 1    7   14   30 o  229.716   5.5540  358.338   17.290  358.338   17.290   0.0000   0.0000  229.716   5.5540  ?   ?       ?      ? 
1 1 1    7   14   31 o  211.843   5.8204  318.271   14.176  330.659   16.387  281.440   28.255  220.666   5.4801  203.021   10.270 17.64545 11.64071 
1 1 1    7   14   32 o  135.503   6.2109  131.365   9.5602  137.170   11.012  113.608   19.262  142.108   5.7185  128.898   11.027 13.21022 12.42174 
1 1 1    7   14   33 o  204.275   5.7299  290.625   13.500  296.778   15.552  271.810   27.196  209.042   5.4898  199.508   10.059 9.533524 11.45986 
1 1 1    7   14   34 o  181.653   5.5308  207.481   11.633  193.253   13.154  258.534   24.917  168.661   5.7553  194.645   9.4465 -25.98470 11.06168 
1 1 1    7   14   35 f  158.971   6.0119  178.492   11.041  184.704   12.777  160.182   21.938  164.885   5.7184  153.057   10.577 11.82838 12.02383 
1 1 1    7   14   36 o  195.118   5.6396  250.568   12.808  242.646   14.626  276.628   26.527  188.980   5.7111  201.257   9.7265 -12.27740 11.27923 
1 1 1    7   14   37 o  161.389   6.0106  166.049   12.112  149.986   14.264  207.568   22.932  148.460   7.0900  174.318   9.7078 -25.85828 12.02126 
1 1 1    7   14   38 o   82.848   8.1266   49.781   7.5099   51.872   8.7092   43.718   14.829   87.285   7.3630   78.411   14.490 8.874100 16.25327 
1 1 1    7   14   39 o  243.469   5.7276  396.506   16.154  389.669   18.467  418.794   33.342  239.454   5.6909  247.484   9.9417 -8.029922 11.45528 
1 1 1    7   14   40 o  162.710   5.9879  186.372   11.270  192.083   13.036  169.472   22.427  168.106   5.7224  157.314   10.520 10.79214 11.97571 
1 1 1    7   14   41 o  203.938   5.6336  277.183   13.340  271.344   15.253  296.185   27.514  199.797   5.6334  208.079   9.7577 -8.281677 11.26711 
1 1 1    7   14   42 o  105.184   8.2059   76.024   11.695   74.571   16.438   77.513   16.643  104.161   11.646  106.206   11.564 -2.044807 16.41179 
1 1 1    7   14   43 o  104.856   6.8325   72.587   9.0042   82.484   16.547   68.424   10.732  109.573   11.144  100.140   7.9086 9.432579 13.66502 
1 1 1    7   14   44 o   50.334   8.7930   18.447   6.0316   14.132   8.9124   22.093   8.1929   44.948   13.526   55.719   11.238 -10.77151 17.58593 
1 1 1    7   14   45 o  108.182   5.3652   79.807   7.8553   81.224   11.444   78.546   10.802  109.072   7.7427  107.291   7.4292 1.781158 10.73048 
1 1 1    7   14   46 f   95.799   5.7018   62.695   7.3994   64.319   10.644   61.176   10.294   96.996   8.0976   94.603   8.0294 2.392372 11.40363 
1 1 1    7   14   47 o  117.017   5.3026   93.268   8.3690  106.639   12.180   81.308   11.519  124.977   7.1916  109.057   7.7944 15.92057 10.60529 
1 1 1    7   14   48 o   85.186   7.6833   48.074   8.3646   44.377   10.092   56.187   14.950   80.381   9.2649   89.991   12.259 -9.610580 15.36658 
1 1 1    7   14   49 o  133.509   7.2531  121.868   13.123  121.868   13.123   0.0000   0.0000  133.509   7.2531  ?   ?       ?      ? 
1 1 1    7   14   50 o  110.141   6.5897   84.592   9.3676   87.247   11.707   79.866   15.618  112.860   7.6549  107.422   10.728 5.438148 13.17948 
1 1 1    7   14   51 o  151.238   4.9891  156.427   10.181  176.725   14.669  137.563   14.141  160.764   6.7335  141.711   7.3638 19.05292 9.978256 
1 1 1    7   14   52 o  155.861   6.8741  166.308   14.519   0.0000   0.0000  166.308   14.519  ?   ?   155.861   6.8741      ?      ? 
1 1 1    7   14   53 o   95.529   5.6847   62.831   7.3513   61.696   10.585   63.890   10.218   94.656   8.2517   96.402   7.8214 -1.746536 11.36948 
1 1 1    7   14   54 o   45.467   12.431   15.045   7.8789   0.0000   0.0000   15.045   7.8789  ?   ?    45.467   12.431      ?      ? 
1 1 1    7   14   55 o   70.022   6.7550   34.082   6.4042   34.065   9.2476   34.097   8.8776   69.968   9.7531   70.076   9.3485 -0.1073227 13.50994 
1 1 1    7   14   56 o   80.226   7.2366   44.277   7.5587   47.718   12.765   42.419   9.3800   82.271   11.449   78.182   8.8535 4.088852 14.47319 
1 1 1    7   14   57 o   37.921   9.6364   7.3019   6.0926   14.819   10.816   3.8083   7.3737   45.595   15.062   30.247   12.024 15.34722 19.27281 
1 1 1    7   14   58 o   36.625   7.4006   5.5980   5.4230  -9.7126   7.7682   20.152   7.5739   20.755   9.9043   52.494   10.999 -31.73877 14.80113 
1 1 1    7   14   59 o   64.188   8.8491   29.919   7.0027   30.783   12.579   29.531   8.4298   63.536   14.872   64.841   9.5937 -1.304443 17.69822 
1 1 1    7   14   60 o  113.355   6.5432   88.863   9.4689   94.599   16.614   86.104   11.524  115.376   10.626  111.333   7.6381 4.042564 13.08636 
1 1 1    7   14   61 o   58.753   9.4836   27.131   7.2023   21.455   12.587   29.895   8.7823   52.584   16.128   64.923   9.9822 -12.33868 18.96722 
1 1 1    7   14   62 o   35.209   9.2314   7.2970   6.3362  -2.2078   11.042   11.963   7.7366   30.114   13.409   40.304   12.692 -10.18995 18.46283 
1 1 1    7   14   63 o   64.868   8.8246   31.329   7.1623   31.644   12.403   31.171   8.7730   63.624   14.684   66.112   9.7923 -2.488289 17.64927 
1 1 1    7   14   64 o   72.004   8.1766   37.635   7.4347   40.642   12.642   36.045   9.1924   72.946   13.278   71.063   9.5456 1.883026 16.35319 
1 1 1    7   14   65 f   61.315   10.510   29.718   8.7376   23.047   11.972   37.321   12.781   53.506   15.571   69.124   14.122 -15.61826 21.02088 
1 1 1    7   14   66 o   59.425   10.774   28.024   8.8719   20.450   11.970   37.255   13.215   50.356   15.775   68.495   14.679 -18.13901 21.54851 
1 1 1    7   14   67 o   66.972   10.190   34.825   9.3250   21.255   12.539   51.619   13.949   50.962   16.169   82.982   12.404 -32.01988 20.37911 
1 1 1    7   14   68 o   45.219   11.058   16.139   8.3483   18.644   11.053   12.813   12.738   48.049   15.174   42.390   16.089 5.659706 22.11607 
1 1 1    7   14   69 o   54.604   14.822   24.398   11.249   24.398   11.249   0.0000   0.0000   54.604   14.822  ?   ?       ?      ? 
1 1 1    7   14   70 f   34.072   13.994   5.5103   10.360   5.5103   10.360   0.0000   0.0000   34.072   13.994  ?   ?       ?      ? 
1 1 1    7   14   71 o   59.223   10.652   28.294   8.7919   19.012   11.652   40.562   13.396   47.811   15.626   70.635   14.482 -22.82319 21.30457 
1 1 1    7   14   72 o   96.770   8.3649   71.351   10.926   72.285   14.909   70.268   16.060   97.981   11.229   95.558   12.402 2.422737 16.72970 
1 1 1    7   14   73 o   60.703   11.152   32.166   9.2772   34.516   12.371   29.145   14.024   64.369   14.527   57.036   16.923 7.333218 22.30317 
1 1 1    7   14   74 o   57.198   11.539   29.141   9.3516   27.793   12.630   30.777   13.913   56.078   15.893   58.318   16.733 -2.239559 23.07732 
1 1 1    7   14   75 o   54.887   16.861   27.985   13.751   0.0000   0.0000   27.985   13.751  ?   ?    54.887   16.861      ?      ? 
1 1 1    7   14   76 o   75.477   10.350   48.724   10.351   41.602   14.392   56.353   14.897   67.962   15.908   82.992   13.246 -15.02947 20.70058 
1 1 1    7   14   77 o   52.152   11.089   24.772   9.2710   12.805   12.723   38.317   13.537   39.490   15.764   64.813   15.600 -25.32314 22.17815 
1 1 1    7   14   78 o   39.703   10.998   12.541   9.0292   4.6893   12.417   21.351   13.153   32.996   14.475   46.410   16.561 -13.41338 21.99521 
1 1 1    7   14   79 o   34.794   10.556   7.9796   8.9544   6.0649   12.788   9.8217   12.543   33.593   14.714   35.996   15.139 -2.403080 21.11150 
1 1 1    7   15    0 f  146.575   4.9102  146.061   9.7234  147.666   13.284  144.208   14.271  147.459   6.6477  145.691   7.2284 1.767105 9.820490 
1 1 1    7   15    1 o  105.591   5.4865   75.687   7.7964   74.994   10.408   76.573   11.768  105.060   7.3109  106.123   8.1827 -1.063309 10.97295 
1 1 1    7   15    2 o  192.721   4.7715  251.920   12.429  247.833   16.914  256.717   18.325  191.039   6.5333  194.404   6.9559 -3.365082 9.542990 
1 1 1    7   15    3 o  169.267   4.8166  194.612   11.013  194.702   14.986  194.506   16.237  169.326   6.5311  169.208   7.0813 0.1182251 9.633230 
1 1 1    7   15    4 o   82.825   6.3176   47.280   6.9849   51.271   9.3723   42.294   10.476   86.843   7.9640   78.807   9.8093 8.036186 12.63517 
1 1 1    7   15    5 o  139.561   5.9378  133.495   11.022  126.760   17.084  138.296   14.426  136.468   9.2381  142.655   7.4622 -6.186981 11.87552 
1 1 1    7   15    6 o  274.631   6.9212  514.459   25.704  551.086   36.282  477.551   36.421  284.513   9.4105  264.749   10.152 19.76419 13.84245 
1 1 1    7   15    7 o  192.310   4.8915  249.317   12.673  234.633   16.855  268.411   19.221  185.862   6.6922  198.758   7.1361 -12.89583 9.783085 
1 1 1    7   15    8 o  201.822   4.8259  277.050   13.166  282.334   18.098  271.109   19.189  203.889   6.5500  199.755   7.0889 4.134415 9.651731 
1 1 1    7   15    9 o  251.060   4.9312  427.862   16.756  421.176   23.049  435.354   24.401  248.996   6.8310  253.125   7.1138 -4.128448 9.862432 
1 1 1    7   15   10 o  309.392   6.3277  662.307   25.535  609.372   41.319  695.015   32.479  299.017   10.197  319.767   7.4954 -20.75052 12.65548 
1 1 1    7   15   11 o  229.319   5.9199  364.129   17.724  332.260   28.541  384.133   22.612  220.870   9.5357  237.768   7.0179 -16.89842 11.83974 
1 1 1    7   15   12 o  219.763   6.1212  328.818   16.516  329.034   19.587  328.285   30.723  220.090   6.5672  219.436   10.332 0.6547089 12.24233 
1 1 1    7   15   13 o  260.085   6.1644  459.073   19.825  457.176   23.601  463.621   36.540  259.411   6.7136  260.759   10.341 -1.347931 12.32888 
1 1 1    7   15   14 f  178.780   5.8205  220.987   11.501  223.650   12.988  211.315   24.749  181.529   5.2799  176.032   10.375 5.496841 11.64106 
1 1 1    7   15   15 o  126.611   6.0964   98.520   8.4695   91.912   9.3760  127.825   19.744  116.343   5.9470  136.878   10.644 -20.53508 12.19280 
1 1 1    7   15   16 o  154.861   5.8508  161.485   9.9884  160.276   11.214  166.126   21.970  153.662   5.3855  156.060   10.389 -2.397476 11.70167 
1 1 1    7   15   17 o  131.996   6.3804  124.787   9.1116  129.240   10.282  108.498   19.664  137.977   5.4990  126.015   11.515 11.96251 12.76073 
1 1 1    7   15   18 o  201.979   5.8439  283.267   13.199  287.792   14.988  267.630   27.860  205.902   5.3714  198.055   10.380 7.846085 11.68786 
1 1 1    7   15   19 o  257.806   5.9826  464.378   17.417  474.571   19.887  430.814   36.087  264.384   5.5508  251.229   10.600 13.15482 11.96529 
1 1 1    7   15   20 o  148.240   6.2157  158.586   10.100  165.600   11.477  134.494   21.268  156.180   5.4225  140.300   11.186 15.87993 12.43135 
1 1 1    7   15   21 o  165.727   5.8595  186.519   10.910  186.161   12.354  187.787   23.254  165.584   5.5055  165.871   10.345 -0.2869568 11.71893 
1 1 1    7   15   22 o  228.917   5.6256  355.852   17.451  355.852   17.451   0.0000   0.0000  228.917   5.6256  ?   ?       ?      ? 
1 1 1    7   15   23 o  122.920   10.138  103.128   16.888  103.128   16.888   0.0000   0.0000  122.920   10.138  ?   ?       ?      ? 
1 1 1    7   15   24 o  127.967   5.9204  111.239   10.267  111.239   10.267   0.0000   0.0000  127.967   5.9204  ?   ?       ?      ? 
1 1 1    7   15   25 o  107.763   6.8831   83.083   8.1982   86.171   9.3253   72.572   17.203  112.616   6.1105  102.910   12.336 9.706566 13.76611 
1 1 1    7   15   26 o  153.129   6.0701  168.051   10.493  175.530   12.058  144.705   21.304  160.765   5.5346  145.492   10.805 15.27306 12.14023 
1 1 1    7   15   27 o  160.028   5.8256  173.943   10.661  173.515   12.160  175.363   22.167  159.830   5.6143  160.226   10.209 -0.3961487 11.65114 
1 1 1    7   15   28 o  187.438   5.8831  242.825   12.551  245.844   14.341  232.949   25.941  190.247   5.5627  184.629   10.368 5.618271 11.76621 
1 1 1    7   15   29 o  151.542   6.0603  153.426   10.564  150.730   12.036  162.469   22.042  148.934   5.9636  154.150   10.552 -5.215958 12.12051 
1 1 1    7   15   30 o  178.514   5.7522  205.054   11.929  194.613   13.555  240.908   25.118  169.230   5.9105  187.797   9.8699 -18.56770 11.50431 
1 1 1    7   15   31 f  187.464   6.3609  247.428   15.081  263.356   18.637  217.218   25.666  196.739   6.9904  178.190   10.629 18.54851 12.72173 
1 1 1    7   15   32 o  313.703   6.2542  679.668   22.684  687.540   26.096  655.328   45.886  318.035   6.0551  309.372   10.945 8.663116 12.50830 
1 1 1    7   15   33 o  187.684   5.9351  243.621   12.677  246.608   14.485  233.843   26.205  190.507   5.6108  184.862   10.460 5.644608 11.87026 
1 1 1    7   15   34 o  163.441   5.8682  180.156   10.978  178.437   12.505  185.936   22.924  162.035   5.6948  164.846   10.262 -2.811172 11.73635 
1 1 1    7   15   35 o  117.492   6.3766   93.126   8.7394   92.036   10.037   96.542   17.769  116.319   6.3678  118.666   11.050 -2.346947 12.75327 
1 1 1    7   15   36 o  189.495   5.9576  258.405   13.001  272.082   15.106  219.320   25.536  200.075   5.5714  178.914   10.532 21.16174 11.91513 
1 1 1    7   15   37 o  154.867   5.8903  163.072   10.681  162.456   12.314  164.944   21.467  154.561   5.8792  155.173   10.209 -0.6116638 11.78061 
1 1 1    7   15   38 o  183.015   6.2277  230.873   14.597  235.144   18.018  222.717   24.900  185.764   7.1577  180.266   10.193 5.497849 12.45530 
1 1 1    7   15   39 o  141.195   6.4198  133.352   11.716  126.769   14.376  146.371   20.216  136.301   7.7830  146.089   10.212 -9.789017 12.83955 
1 1 1    7   15   40 o  111.085   7.2123   92.878   8.9090  100.609   10.306   70.022   17.721  121.560   6.2564  100.610   12.997 20.94968 14.42463 
1 1 1    7   15   41 o   63.580   9.1422   26.056   6.8389   22.856   7.8852   35.770   13.739   56.771   10.641   70.389   14.869 -13.61885 18.28433 
1 1 1    7   15   42 o  102.503   6.9151   74.332   8.2394   76.577   9.5552   67.822   16.271  105.979   6.6533   99.026   12.125 6.953354 13.83025 
1 1 1    7   15   43 o   63.049   9.3835   29.383   7.0018   30.806   8.1463   25.359   13.698   67.022   8.9693   59.076   16.485 7.946560 18.76704 
1 1 1    7   15   44 o  119.336   6.7376   98.832   10.087  100.423   12.214   95.419   17.889  121.199   7.4365  117.472   11.237 3.726852 13.47515 
1 1 1    7   15   45 o  116.254   7.6876   92.516   12.111   92.516   12.111   0.0000   0.0000  116.254   7.6876  ?   ?       ?      ? 
1 1 1    7   15   46 o  155.565   7.0658  165.512   14.896  165.512   14.896   0.0000   0.0000  155.565   7.0658  ?   ?       ?      ? 
1 1 1    7   15   47 o  141.684   6.3373  131.166   11.348  119.884   13.527  157.971   20.851  132.255   7.5477  151.112   10.182 -18.85670 12.67458 
1 1 1    7   15   48 o  116.550   5.2919   93.081   8.3525   95.425   12.085   90.938   11.557  117.939   7.5615  115.162   7.4055 2.776604 10.58383 
1 1 1    7   15   49 o  103.990   5.5438   73.978   7.7933   80.087   11.505   68.799   10.594  107.933   7.8663  100.048   7.8138 7.885307 11.08754 
1 1 1    7   15   50 o   99.232   5.6313   67.599   7.5603   71.526   11.081   64.178   10.341  101.909   8.0237   96.556   7.9035 5.353600 11.26252 
1 1 1    7   15   51 o   74.998   6.5014   38.660   6.5583   45.931   9.7409   32.631   8.8698   81.460   8.8241   68.537   9.5502 12.92378 13.00270 
1 1 1    7   15   52 o  124.646   5.0826  106.933   8.5786  106.061   12.343  107.748   11.932  124.114   7.3386  125.178   7.0338 -1.064034 10.16513 
1 1 1    7   15   53 o   49.098   8.6697   17.326   5.8943   24.435   8.7848   11.504   7.9493   57.872   11.605   40.323   12.883 17.54915 17.33950 
1 1 1    7   15   54 o   56.359   9.2340   23.402   6.6072   24.048   11.518   23.086   8.0662   56.392   14.863   56.325   10.962 0.6667709E-01 18.46808 
1 1 1    7   15   55 f   53.079   11.414   20.722   7.9660   0.0000   0.0000   20.722   7.9660  ?   ?    53.079   11.414      ?      ? 
1 1 1    7   15   56 o   66.962   9.0794   34.524   7.3225   29.046   13.212   36.952   8.7970   61.261   15.809   72.662   8.9340 -11.40091 18.15887 
1 1 1    7   15   57 o   40.142   8.8272   11.657   6.4796  -5.1270   11.570   19.327   7.8211   29.301   13.323   50.984   11.583 -21.68376 17.65450 
1 1 1    7   15   58 o   33.627   9.5403   5.0436   6.2465   5.5103   11.207   4.8332   7.5236   36.017   14.646   31.237   12.230 4.780611 19.08066 
1 1 1    7   15   59 o   57.671   9.7885   24.732   7.1722   28.374   12.714   23.032   8.6862   59.963   15.525   55.380   11.927 4.582790 19.57702 
1 1 1    7   15   60 o   68.968   8.5665   34.733   7.3795   37.188   12.817   33.515   9.0257   69.384   14.112   68.552   9.7159 0.8322830 17.13300 
1 1 1    7   15   61 o   63.783   10.227   32.077   8.6435   29.187   12.498   34.725   11.967   60.498   15.249   67.068   13.631 -6.569313 20.45380 
1 1 1    7   15   62 o   80.449   9.1743   49.033   9.7161   43.267   13.681   54.902   13.801   74.577   14.053   86.321   11.798 -11.74440 18.34858 
1 1 1    7   15   63 o   64.000   9.9936   32.129   8.9630   48.769   13.032   17.192   12.347   81.156   11.850   46.843   16.096 34.31307 19.98717 
1 1 1    7   15   64 f   92.539   8.4911   63.843   10.638   60.889   15.038   66.802   15.051   90.185   12.304   94.892   11.704 -4.707359 16.98218 
1 1 1    7   15   65 o   46.630   11.077   17.007   8.4781   22.565   12.162   11.752   11.825   52.284   15.816   40.977   15.514 11.30722 22.15484 
1 1 1    7   15   66 o   38.367   10.473   8.9637   7.8934   4.3127   10.870   14.152   11.481   33.710   14.131   43.025   15.460 -9.314911 20.94508 
1 1 1    7   15   67 o   53.735   15.012   23.862   11.353   23.862   11.353   0.0000   0.0000   53.735   15.012  ?   ?       ?      ? 
1 1 1    7   15   68 o   63.978   14.580   33.509   12.359   33.509   12.359   0.0000   0.0000   63.978   14.580  ?   ?       ?      ? 
1 1 1    7   15   69 o   52.252   11.052   22.351   8.6553   15.121   11.503   31.788   13.141   43.438   15.489   61.066   15.770 -17.62810 22.10428 
1 1 1    7   15   70 o   60.431   10.747   30.574   8.8339   24.775   11.864   37.790   13.234   53.693   15.465   67.169   14.927 -13.47586 21.49320 
1 1 1    7   15   71 o   32.621   9.6830   0.9322   7.7339  -7.9719   10.270   12.595   11.754   24.798   11.702   40.445   15.430 -15.64619 19.36596 
1 1 1    7   15   72 o   44.499   11.299   16.857   8.6484   14.201   11.572   20.218   13.017   41.568   15.427   47.430   16.514 -5.862160 22.59860 
1 1 1    7   15   73 o   48.562   16.594   21.921   13.120   0.0000   0.0000   21.921   13.120  ?   ?    48.562   16.594      ?      ? 
1 1 1    7   15   74 o   40.228   15.866   13.471   12.745   0.0000   0.0000   13.471   12.745  ?   ?    40.228   15.866      ?      ? 
1 1 1    7   15   75 o   52.420   10.145   22.576   9.4248   1.3480   12.837   47.398   13.881   31.510   14.209   73.330   14.483 -41.82001 20.28928 
1 1 1    7   16    0 o  183.286   7.2558  228.394   18.022   0.0000   0.0000  228.394   18.022  ?   ?   183.286   7.2558      ?      ? 
1 1 1    7   16    1 o  189.370   7.1829  243.793   18.433   0.0000   0.0000  243.793   18.433  ?   ?   189.370   7.1829      ?      ? 
1 1 1    7   16    2 o  191.192   5.9959  254.165   14.943  227.674   24.011  270.912   19.091  182.750   9.6956  199.635   7.0570 -16.88448 11.99186 
1 1 1    7   16    3 o  100.746   6.0627   69.814   8.1901   78.253   11.311   60.513   11.875  107.255   7.7823   94.238   9.2984 13.01723 12.12540 
1 1 1    7   16    4 o   80.797   6.6166   44.884   7.1544   47.524   9.5757   41.548   10.764   83.552   8.4573   78.041   10.178 5.511490 13.23325 
1 1 1    7   16    5 o  118.146   5.4023   94.827   8.6045   93.830   11.566   96.063   12.877  117.473   7.2653  118.818   7.9973 -1.345680 10.80468 
1 1 1    7   16    6 o  140.410   5.1281  134.055   9.7085  134.098   13.093  134.004   14.470  140.459   6.8786  140.360   7.6076 0.9854126E-01 10.25626 
1 1 1    7   16    7 o  134.233   5.1900  122.163   9.4018  118.719   12.657  126.404   14.044  132.146   7.0677  136.320   7.6022 -4.173615 10.38006 
1 1 1    7   16    8 o  201.158   4.8912  274.558   13.304  267.846   18.132  282.385   19.580  198.516   6.7402  203.800   7.0897 -5.283279 9.782311 
1 1 1    7   16    9 o  199.770   4.9239  271.194   13.297  269.767   18.154  272.845   19.530  199.226   6.7242  200.314   7.1947 -1.088318 9.847704 
1 1 1    7   16   10 o   74.604   8.7439   39.245   8.4375   35.803   13.005   41.747   11.088   71.011   14.012   78.197   10.463 -7.186592 17.48787 
1 1 1    7   16   11 o  160.779   6.9520  176.527   15.095  178.764   20.594  173.929   22.192  161.929   9.3849  159.629   10.259 2.300400 13.90396 
1 1 1    7   16   12 o  193.089   5.4777  253.158   14.333  253.158   14.333   0.0000   0.0000  193.089   5.4777  ?   ?       ?      ? 
1 1 1    7   16   13 o  178.865   5.9933  219.660   11.789  220.942   13.269  214.857   25.684  180.386   5.4283  177.345   10.687 3.040909 11.98659 
1 1 1    7   16   14 o  150.367   6.2956  157.477   10.251  159.827   11.506  148.430   22.579  153.413   5.5343  147.321   11.310 6.092484 12.59118 
1 1 1    7   16   15 o  140.913   5.8194  134.879   11.113  134.879   11.113   0.0000   0.0000  140.913   5.8194  ?   ?       ?      ? 
1 1 1    7   16   16 o  367.064   6.4176  915.753   31.923  915.753   31.923   0.0000   0.0000  367.064   6.4176  ?   ?       ?      ? 
1 1 1    7   16   17 o  295.734   10.300  597.386   41.279  597.386   41.279   0.0000   0.0000  295.734   10.300  ?   ?       ?      ? 
1 1 1    7   16   18 o  261.858   7.3265  470.270   25.896  502.720   35.982  435.403   37.299  271.383   9.7842  252.335   10.908 19.04790 14.65297 
1 1 1    7   16   19 o  172.931   6.1471  206.717   11.817  208.947   13.372  198.763   25.253  175.388   5.6261  170.474   10.931 4.914749 12.29426 
1 1 1    7   16   20 o  263.894   6.1169  486.679   18.403  497.475   21.099  452.347   37.627  270.604   5.7537  257.183   10.796 13.42102 12.23372 
1 1 1    7   16   21 o  235.104   5.8765  367.397   15.729  359.877   17.829  393.799   33.406  230.157   5.7162  240.051   10.269 -9.894608 11.75307 
1 1 1    7   16   22 o  218.983   6.0143  330.981   14.923  334.476   17.012  319.314   31.082  221.886   5.6579  216.080   10.615 5.806686 12.02863 
1 1 1    7   16   23 o  163.431   5.9972  180.376   11.055  179.022   12.522  185.160   23.540  162.324   5.6924  164.537   10.558 -2.213013 11.99436 
1 1 1    7   16   24 o  185.114   5.8675  231.042   12.241  229.048   13.857  238.126   26.121  183.615   5.5691  186.613   10.329 -2.998138 11.73491 
1 1 1    7   16   25 o  194.109   5.9467  264.124   13.039  270.364   14.898  243.695   26.955  199.489   5.5108  188.729   10.540 10.76077 11.89331 
1 1 1    7   16   26 o  152.224   6.1258  156.336   10.447  155.006   11.799  161.165   22.476  151.025   5.7651  153.422   10.811 -2.397034 12.25166 
1 1 1    7   16   27 o   93.034   7.6967   62.530   7.9071   65.178   9.0071   53.635   16.511   97.870   6.7913   88.197   13.814 9.673416 15.39344 
1 1 1    7   16   28 o   34.052   9.7648   0.6005   6.1970  -2.3268   7.0670   10.342   12.892   24.390   10.800   43.713   16.271 -19.32266 19.52961 
1 1 1    7   16   29 o  156.129   6.0899  173.686   10.855  180.620   12.516  152.642   21.805  163.014   5.6659  149.245   10.782 13.76889 12.17971 
1 1 1    7   16   30 o  238.901   5.8791  391.349   16.166  393.103   18.526  385.749   33.102  240.472   5.6850  237.329   10.292 3.143234 11.75816 
1 1 1    7   16   31 o  212.337   5.8695  308.452   14.317  309.116   16.383  306.307   29.452  213.230   5.6698  211.443   10.279 1.787277 11.73890 
1 1 1    7   16   32 o  132.730   6.3019  118.892   9.7944  117.414   11.269  123.456   19.807  131.349   6.3308  134.110   10.899 -2.760345 12.60389 
1 1 1    7   16   33 o  126.995   6.9103  111.093   11.010  112.140   13.305  108.817   19.610  128.217   7.6573  125.774   11.505 2.442818 13.82065 
1 1 1    7   16   34 o  202.216   6.1480  273.951   15.804  263.844   19.106  295.850   28.123  196.722   7.1668  207.709   9.9914 -10.98659 12.29596 
1 1 1    7   16   35 o  109.922   6.8415   82.186   8.6764   81.590   9.9270   84.114   17.857  109.423   6.6946  110.422   11.934 -0.9993439 13.68308 
1 1 1    7   16   36 o   69.729   8.9099   33.219   7.1336   32.183   8.2019   36.434   14.455   68.560   8.8280   70.898   15.479 -2.338295 17.81982 
1 1 1    7   16   37 o   61.934   9.4512   23.447   6.8510   19.144   7.8174   37.693   14.225   51.691   11.461   72.177   15.032 -20.48611 18.90241 
1 1 1    7   16   38 o  101.100   7.3078   74.258   8.3804   77.952   9.6710   63.124   16.791  106.897   6.6761   95.301   13.002 11.59601 14.61570 
1 1 1    7   16   39 o   82.777   8.1498   46.838   8.5076   45.835   10.253   49.056   15.244   81.681   9.2628   83.873   13.412 -2.192726 16.29965 
1 1 1    7   16   40 o   72.736   9.8520   36.449   9.7109   36.449   9.7109   0.0000   0.0000   72.736   9.8520  ?   ?       ?      ? 
1 1 1    7   16   41 o   62.522   11.714   27.977   9.5600   27.977   9.5600   0.0000   0.0000   62.522   11.714  ?   ?       ?      ? 
1 1 1    7   16   42 o  138.472   6.2269  127.007   10.071  122.468   11.515  141.775   20.771  133.909   6.3457  143.035   10.716 -9.125916 12.45371 
1 1 1    7   16   43 o   60.153   9.9228   26.635   7.3208   27.587   8.5057   23.915   14.380   63.150   9.9392   57.155   17.177 5.994957 19.84561 
1 1 1    7   16   44 o   86.392   8.2405   55.453   7.9770   58.413   9.3147   47.310   15.449   92.268   7.4496   80.515   14.701 11.75346 16.48095 
1 1 1    7   16   45 o   55.449   9.5789   25.040   7.0723   29.710   8.2877   12.526   13.565   65.524   9.3336   45.374   16.730 20.15023 19.15774 
1 1 1    7   16   46 o   84.573   7.3791   46.294   7.5551   42.357   8.7302   58.036   15.078   78.373   8.2201   90.774   12.257 -12.40147 14.75821 
1 1 1    7   16   47 o   88.708   7.2201   53.452   7.7616   51.726   9.0685   58.179   15.008   86.645   7.7234   90.770   12.201 -4.125031 14.44023 
1 1 1    7   16   48 o   75.653   8.7498   43.779   7.4924   46.828   8.8068   35.790   14.256   82.356   7.8912   68.949   15.619 13.40623 17.49958 
1 1 1    7   16   49 o   66.636   8.8675   32.774   6.9973   33.565   8.2586   30.761   13.174   69.510   8.7674   63.762   15.416 5.748199 17.73504 
1 1 1    7   16   50 o   78.461   8.0806   41.400   8.3125   35.266   10.285   52.953   14.115   70.717   10.732   86.205   12.083 -15.48772 16.16126 
1 1 1    7   16   51 o   50.405   11.468   14.348   9.7001   33.524   15.697   2.5011   12.338   65.466   17.397   35.344   14.948 30.12115 22.93674 
1 1 1    7   16   52 o  100.604   8.9361   74.265   11.933   63.974   17.846   82.588   16.049   93.439   14.094  107.769   10.990 -14.32932 17.87216 
1 1 1    7   16   53 o   72.688   10.257   40.422   9.8626   28.463   13.964   52.327   13.932   60.189   16.587   85.186   12.069 -24.99709 20.51334 
1 1 1    7   16   54 o   58.487   9.5194   25.974   6.9649   24.363   13.018   26.620   8.2440   55.708   16.244   61.265   9.9298 -5.556526 19.03887 
1 1 1    7   16   55 o   53.110   9.9605   18.709   6.8636   31.639   12.884   13.586   8.1101   63.606   15.162   42.614   12.921 20.99262 19.92103 
1 1 1    7   16   56 o   79.932   7.7448   44.094   7.8386   52.004   14.250   40.663   9.3861   84.100   12.504   75.763   9.1421 8.336784 15.48951 
1 1 1    7   16   57 o   31.408   8.9598  -2.3810   5.9872   13.543   11.125  -8.8733   7.1036   43.137   15.248   19.679   9.4130 23.45722 17.91961 
1 1 1    7   16   58 o   34.360   9.8292   4.3026   7.4997  -2.6228   10.972   10.377   10.275   29.476   13.228   39.243   14.543 -9.766964 19.65850 
1 1 1    7   16   59 o   38.031   10.402   8.8439   7.6695   6.8819   10.996   10.703   10.703   36.355   14.605   39.706   14.817 -3.350769 20.80457 
1 1 1    7   16   60 o   48.538   10.807   18.932   7.9774   16.784   11.841   20.718   10.795   46.263   15.765   50.812   14.785 -4.549107 21.61347 
1 1 1    7   16   61 o   48.097   11.109   18.109   8.4512   23.972   12.554   13.251   11.429   53.849   16.020   42.345   15.395 11.50363 22.21799 
1 1 1    7   16   62 o   42.691   10.052   11.998   8.0267  -1.2685   11.571   24.305   11.144   30.711   13.697   54.671   14.717 -23.96017 20.10407 
1 1 1    7   16   63 o   45.882   10.793   16.754   8.0185   12.387   11.386   21.052   11.295   41.185   15.299   50.579   15.229 -9.393898 21.58665 
1 1 1    7   16   64 o   46.467   10.678   16.193   8.3327   6.8409   11.367   27.056   12.251   36.041   14.714   56.893   15.478 -20.85229 21.35566 
1 1 1    7   16   65 o   33.659   14.017   4.9224   10.594   4.9224   10.594   0.0000   0.0000   33.659   14.017  ?   ?       ?      ? 
1 1 1    7   16   66 o   34.749   14.191   6.4483   10.579   6.4483   10.579   0.0000   0.0000   34.749   14.191  ?   ?       ?      ? 
1 1 1    7   16   67 o   36.578   10.275   8.5384   7.6679   10.535   10.522   6.2772   11.197   38.238   14.597   34.918   14.465 3.320015 20.55010 
1 1 1    7   16   68 o   33.021   9.2683   1.9072   7.5124   14.812   10.146 -13.7573   11.178   42.398   14.589   23.644   11.435 18.75341 18.53651 
1 1 1    7   16   69 o   35.513   10.140   6.2354   7.8433  -0.4373   10.515   14.604   11.776   29.052   12.999   41.974   15.566 -12.92204 20.27997 
1 1 1    7   16   70 o   38.744   10.668   11.159   8.4204   16.481   11.428   4.8389   12.454   43.438   15.444   34.050   14.721 9.387760 21.33602 
1 1 1    7   16   71 o   54.311   10.938   27.269   9.0029   37.417   12.707   17.040   12.757   65.234   14.723   43.388   16.179 21.84631 21.87582 
1 1 1    7   17    0 o   52.549   9.4882   20.151   6.9032   24.691   9.2121   14.337   10.425   59.004   11.931   46.095   14.756 12.90891 18.97641 
1 1 1    7   17    1 o   82.799   6.8954   46.178   7.6788   39.463   10.253   54.756   11.588   76.021   9.9522   89.576   9.5466 -13.55493 13.79073 
1 1 1    7   17    2 o  140.563   5.3431  134.012   10.140  129.441   13.667  139.608   15.122  137.926   7.3123  143.200   7.7927 -5.273865 10.68625 
1 1 1    7   17    3 o   96.596   6.3931   62.568   8.2272   48.203   10.951   81.185   12.466   84.038   9.6156  109.155   8.4277 -25.11678 12.78618 
1 1 1    7   17    4 o  139.658   5.4072  132.277   10.191  127.680   13.705  137.962   15.241  136.976   7.3834  142.340   7.9016 -5.363632 10.81432 
1 1 1    7   17    5 o   45.349   10.630   9.5034   7.4601   3.6892   8.8571   23.699   13.840   32.849   13.139   57.848   16.715 -24.99941 21.26034 
1 1 1    7   17    6 o   52.897   16.498 -19.5128   6.9323 -34.5769   8.1681   19.283   13.108  ?   ?    52.897   16.498      ?      ? 
1 1 1    7   17    7 o   49.544   10.632   11.684   8.0279   3.1453   9.6424   30.974   14.493   33.450   13.592   65.637   16.353 -32.18626 21.26430 
1 1 1    7   17    8 o  175.564   6.3199  212.160   14.062  215.876   17.175  204.604   24.492  178.127   7.1151  173.002   10.447 5.124130 12.63974 
1 1 1    7   17    9 o  144.578   6.7286  131.558   12.603  184.549   22.162  106.227   15.322  164.367   9.9497  124.789   9.0609 39.57758 13.45720 
1 1 1    7   17   10 o  167.857   6.6069  192.357   14.319  192.102   24.242  192.493   17.744  167.587   10.675  168.127   7.7883 -0.5404663 13.21383 
1 1 1    7   17   11 o  202.484   7.3998  278.642   20.237  259.360   27.295  302.179   30.157  194.775   10.341  210.194   10.587 -15.41908 14.79960 
1 1 1    7   17   12 o  130.851   8.3386  117.121   14.705  114.966   19.710  119.828   22.085  129.568   11.225  132.135   12.334 -2.566803 16.67727 
1 1 1    7   17   13 o  226.434   6.4001  349.521   17.812  349.070   21.133  350.626   33.100  226.516   6.8848  226.352   10.791 0.1630402 12.80015 
1 1 1    7   17   14 o  140.833   6.8148  136.839   11.541  138.492   13.552  132.473   22.018  142.663   7.0097  139.002   11.689 3.660446 13.62958 
1 1 1    7   17   15 o   68.820   10.325   34.696   8.4770   36.393   9.8937   30.011   16.440   72.967   10.006   64.673   18.064 8.293716 20.64979 
1 1 1    7   17   16 o  177.863   7.4011  219.305   17.498  234.091   23.117  199.464   26.778  185.171   9.2124  170.554   11.586 14.61662 14.80210 
1 1 1    7   17   17 o  119.352   7.7570   97.047   12.546   97.047   12.546   0.0000   0.0000  119.352   7.7570  ?   ?       ?      ? 
1 1 1    7   17   18 o   96.438   8.9241   69.678   9.4546   74.682   10.999   55.515   18.503  104.695   7.7525   88.181   16.077 16.51331 17.84827 
1 1 1    7   17   19 f   63.315   10.038   30.270   7.1064   31.939   7.9475   23.615   15.873   68.419   8.5717   58.212   18.154 10.20752 20.07610 
1 1 1    7   17   20 o  137.855   6.3237  123.395   9.6713  118.965   10.815  141.072   21.605  132.272   6.0338  143.437   11.115 -11.16464 12.64732 
1 1 1    7   17   21 o   56.188   10.284   18.436   6.8003   14.865   7.6355   32.132   14.953   45.701   12.128   66.675   16.611 -20.97430 20.56707 
1 1 1    7   17   22 o   80.103   7.8247   37.213   7.2802   31.802   8.1616   58.285   16.106   68.239   8.8259   91.968   12.923 -23.72903 15.64941 
1 1 1    7   17   23 f   95.428   7.8184   67.075   8.1889   70.865   9.3490   54.586   16.973  102.023   6.7621   88.834   14.099 13.18929 15.63683 
1 1 1    7   17   24 o  141.252   6.3970  138.839   10.162  140.870   11.564  131.951   21.291  143.916   5.9294  138.588   11.337 5.327652 12.79392 
1 1 1    7   17   25 o   64.801   10.225   30.579   8.1206   31.918   9.5404   27.060   15.472   68.228   10.319   61.374   17.655 6.854210 20.44960 
1 1 1    7   17   26 o   94.062   9.0198   60.126   11.406   52.187   15.099   70.680   17.408   86.935   12.817  101.190   12.695 -14.25527 18.03960 
1 1 1    7   17   27 o  154.398   7.3820  163.951   15.389  167.556   21.030  159.795   22.579  156.325   9.9274  152.471   10.928 3.853363 14.76399 
1 1 1    7   17   28 o  177.855   7.2422  216.399   17.389  208.822   23.429  225.693   25.946  174.475   9.9090  181.235   10.565 -6.759796 14.48444 
1 1 1    7   17   29 o   43.537   10.961   11.374   7.6508   11.217   9.1181   11.747   14.064   41.298   13.835   45.776   17.004 -4.477501 21.92150 
1 1 1    7   17   30 o  105.286   7.7466   81.805   9.8239   90.247   11.878   63.527   17.477  114.946   7.6255   95.627   13.487 19.31889 15.49323 
1 1 1    7   17   31 o   65.190   9.9575   31.539   8.0526   33.743   9.6354   26.433   14.664   70.043   10.151   60.337   17.134 9.706535 19.91504 
1 1 1    7   17   32 o   83.771   8.1682   45.747   8.6335   41.405   10.263   56.260   15.968   77.603   9.7591   89.939   13.101 -12.33560 16.33645 
1 1 1    7   17   33 o  121.578   6.8445  102.923   10.418  105.057   12.610   98.333   18.491  123.952   7.5074  119.204   11.447 4.747917 13.68903 
1 1 1    7   17   34 o  162.146   6.0255  177.407   11.344  174.673   12.993  186.180   23.272  160.066   5.9900  164.226   10.457 -4.159866 12.05095 
1 1 1    7   17   35 o  125.267   6.2815  107.087   10.663  107.087   10.663   0.0000   0.0000  125.267   6.2815  ?   ?       ?      ? 
1 1 1    7   17   36 o   44.245   12.523   14.038   7.8471   14.038   7.8471   0.0000   0.0000   44.245   12.523  ?   ?       ?      ? 
1 1 1    7   17   37 o   92.727   8.8647   70.505   8.3761   78.906   9.6560   44.964   16.836  107.430   6.6327   78.024   16.442 29.40629 17.72931 
1 1 1    7   17   38 o  103.301   6.8432   72.434   8.3473   71.057   9.6358   76.575   16.709  101.866   6.9803  104.736   11.773 -2.869423 13.68640 
1 1 1    7   17   39 o   44.881   9.4913   15.650   6.8145   21.068   7.9396   0.4953   13.279   54.041   11.209   35.721   15.320 18.32023 18.98253 
1 1 1    7   17   40 o  115.270   6.6653   91.867   8.8477   91.743   10.136   92.265   18.136  115.764   6.4610  114.775   11.660 0.9895401 13.33062 
1 1 1    7   17   41 o   47.777   10.231   15.736   6.5507   14.981   7.5910   17.935   12.964   45.353   12.120   50.202   16.485 -4.848179 20.46105 
1 1 1    7   17   42 o   84.122   8.4907   53.654   7.8097   56.761   9.0429   44.537   15.491   90.837   7.3463   77.408   15.310 13.42825 16.98135 
1 1 1    7   17   43 o   98.830   7.1127   68.634   8.2078   69.084   9.4882   67.295   16.360  100.238   6.9851   97.422   12.392 2.816322 14.22541 
1 1 1    7   17   44 o   89.531   7.6326   58.770   8.0141   61.608   9.4003   51.218   15.333   94.535   7.3378   84.527   13.386 10.00719 15.26520 
1 1 1    7   17   45 o  110.129   7.1627   88.629   10.052   98.171   12.722   72.776   16.398  119.095   7.8827  101.162   11.962 17.93284 14.32539 
1 1 1    7   17   46 o   60.566   10.074   25.886   7.8663   21.091   9.6958   35.121   13.455   53.048   13.464   68.083   14.990 -15.03550 20.14892 
1 1 1    7   17   47 o   44.406   11.724   12.561   9.4036   12.584   14.487   12.545   12.361   45.103   17.149   43.709   15.993 1.394588 23.44890 
1 1 1    7   17   48 o   75.132   10.260   41.003   10.145   55.252   15.742   30.881   13.268   87.079   13.340   63.185   15.591 23.89362 20.51938 
1 1 1    7   17   49 o   37.115   9.7583   7.4791   7.2205   13.923   9.2554  -2.5418   11.542   43.484   13.902   30.745   13.698 12.73911 19.51666 
1 1 1    7   17   50 o   43.704   10.265   11.932   7.3068   5.6056   9.2987   22.144   11.814   34.073   13.516   53.335   15.452 -19.26136 20.52914 
1 1 1    7   17   51 o   31.101   9.3777   0.2900   6.9471  -3.4691   8.9828   5.8845   10.959   26.254   11.858   35.948   14.531 -9.693583 18.75541 
1 1 1    7   17   52 o   54.484   9.6751   24.175   7.8715   33.060   10.159   10.827   12.452   67.602   11.089   41.365   15.857 26.23725 19.35028 
1 1 1    7   17   53 o   32.781   9.2733   2.8157   7.0372   10.848   9.2272  -8.3516   10.880   39.262   13.886   26.300   12.295 12.96258 18.54662 
1 1 1    7   17   54 o   52.166   13.404   21.193   9.5267   21.193   9.5267   0.0000   0.0000   52.166   13.404  ?   ?       ?      ? 
1 1 1    7   17   55 o   42.052   13.626   13.434   8.8690   13.434   8.8690   0.0000   0.0000   42.052   13.626  ?   ?       ?      ? 
1 1 1    7   17   56 o   89.472   8.9900   57.187   10.900   57.187   10.900   0.0000   0.0000   89.472   8.9900  ?   ?       ?      ? 
1 1 1    7   17   57 o   35.205   13.346   7.8623   8.7578   7.8623   8.7578   0.0000   0.0000   35.205   13.346  ?   ?       ?      ? 
1 1 1    7   17   58 o   45.804   13.666   16.600   9.1263   16.600   9.1263   0.0000   0.0000   45.804   13.666  ?   ?       ?      ? 
1 1 1    7   17   59 o   30.882   13.528   0.5152   10.813   0.5152   10.813   0.0000   0.0000   30.882   13.528  ?   ?       ?      ? 
1 1 1    7   17   60 o   56.295   10.547   26.318   8.2926   21.328   11.957   30.942   11.510   50.583   15.754   62.008   14.026 -11.42535 21.09306 
1 1 1    7   17   61 o   30.116   9.3240   0.0754   7.3638  -3.6762   10.436   3.7962   10.393   27.618   12.595   32.613   13.752 -4.995071 18.64793 
1 1 1    7   17   62 o   64.560   10.302   34.437   8.8824   42.428   12.697   26.778   12.431   73.064   13.314   56.057   15.725 17.00689 20.60444 
1 1 1    7   17   63 o   44.668   15.689   16.469   11.761   16.469   11.761   0.0000   0.0000   44.668   15.689  ?   ?       ?      ? 
1 1 1    7   17   64 o   29.188   13.109  -1.2010   10.801  -1.2010   10.801   0.0000   0.0000   29.188   13.109  ?   ?       ?      ? 
1 1 1    7   17   65 o   37.298   9.6198   5.3937   7.9442   21.629   11.162 -11.2701   11.309   49.877   15.167   24.719   11.838 25.15754 19.23952 
1 1 1    7   17   66 o   35.924   10.245   6.6643   8.0594  -0.5705   10.937   15.262   11.922   29.367   13.191   42.480   15.680 -13.11329 20.49062 
1 1 1    7   17   67 o   31.118   9.5915   0.4242   7.9481  -7.3148   10.879   9.2830   11.640   25.554   12.055   36.682   14.922 -11.12787 19.18303 
1 1 1    7   18    0 o  105.257   6.1786   74.583   8.7411   67.838   11.499   83.814   13.453   99.716   8.5099  110.797   8.9600 -11.08010 12.35714 
1 1 1    7   18    1 o  103.856   6.4067   75.130   8.8219   83.665   11.790   64.270   13.298  110.795   7.8523   96.918   10.125 13.87630 12.81333 
1 1 1    7   18    2 o  193.494   6.5752  257.456   15.554  259.716   18.437  251.876   28.971  195.327   6.9654  191.661   11.154 3.666153 13.15045 
1 1 1    7   18    3 o  204.092   6.6282  290.468   16.512  298.613   19.655  270.927   30.443  209.447   6.9249  198.738   11.304 10.70827 13.25634 
1 1 1    7   18    4 o  166.779   6.9029  192.196   13.822  194.571   16.217  185.889   26.424  169.046   7.0792  164.512   11.853 4.533539 13.80587 
1 1 1    7   18    5 o  170.202   6.4741  184.815   13.567  168.582   15.834  229.653   26.315  157.310   7.4277  183.094   10.606 -25.78410 12.94827 
1 1 1    7   18    6 o  127.204   8.3706  111.591   14.366  117.598   19.786  104.892   20.893  130.937   11.151  123.471   12.487 7.466576 16.74121 
1 1 1    7   18    7 o  159.114   5.3808  173.945   11.505  192.928   15.933  153.268   16.630  168.330   6.9850  149.898   8.1866 18.43211 10.76153 
1 1 1    7   18    8 o  170.208   5.1984  196.901   11.939  192.525   16.078  202.280   17.826  168.141   7.0561  172.274   7.6358 -4.133194 10.39685 
1 1 1    7   18    9 o  110.905   6.0293   83.146   9.0173   74.938   12.073   93.502   13.561  104.778   8.5030  117.033   8.5505 -12.25521 12.05866 
1 1 1    7   18   10 o   54.405   9.1023   21.990   7.0794   30.772   9.3797   10.364   10.792   67.020   10.328   41.790   14.992 25.22982 18.20468 
1 1 1    7   18   11 o  116.162   5.8675   93.362   9.1066  104.023   12.399   80.877   13.419  123.546   7.4058  108.777   9.1031 14.76919 11.73510 
1 1 1    7   18   12 o   93.904   9.6857   75.522   8.4087   83.542   9.3946   43.217   18.856  110.805   6.2566   77.004   18.333 33.80162 19.37131 
1 1 1    7   18   13 o  136.324   6.5960  122.971   9.8491  120.177   10.997  134.304   22.145  132.906   6.1056  139.742   11.694 -6.835983 13.19204 
1 1 1    7   18   14 o  244.105   6.3178  436.674   17.422  464.788   20.150  353.430   34.674  261.435   5.6877  226.775   11.283 34.66072 12.63550 
1 1 1    7   18   15 o  214.024   6.2278  325.420   14.912  335.763   17.015  291.167   30.963  222.201   5.6509  205.847   11.100 16.35373 12.45554 
1 1 1    7   18   16 o  155.838   6.5052  168.686   11.115  170.510   12.518  161.889   24.167  158.318   5.8347  153.357   11.629 4.960709 13.01034 
1 1 1    7   18   17 o  104.336   8.1924   82.384   8.7231   87.032   9.7454   63.651   19.565  113.058   6.3608   95.614   15.100 17.44387 16.38470 
1 1 1    7   18   18 o  119.550   6.9827   99.583   9.1232  100.718   10.266   95.321   19.898  121.627   6.2284  117.473   12.500 4.154251 13.96539 
1 1 1    7   18   19 o   85.613   8.5656   49.195   8.9286   47.477   10.451   53.837   17.180   83.251   9.2636   87.974   14.411 -4.723488 17.13124 
1 1 1    7   18   20 o   55.417   10.542   23.654   7.9657   27.371   9.4455   14.501   14.823   62.035   11.664   48.800   17.563 13.23504 21.08355 
1 1 1    7   18   21 o   50.862   11.224   17.513   7.8787   17.176   9.1613   18.470   15.440   48.961   13.412   52.764   18.002 -3.803181 22.44900 
1 1 1    7   18   22 o   66.234   10.711   30.212   9.6137   30.212   9.6137   0.0000   0.0000   66.234   10.711  ?   ?       ?      ? 
1 1 1    7   18   23 o   90.452   7.3865   55.886   9.0540   55.886   9.0540   0.0000   0.0000   90.452   7.3865  ?   ?       ?      ? 
1 1 1    7   18   24 o  189.725   6.2183  255.836   13.265  263.628   15.162  230.426   27.382  196.759   5.6865  182.691   11.060 14.06790 12.43658 
1 1 1    7   18   25 o  115.071   7.6868  102.555   9.3876  111.390   10.708   73.200   19.517  127.824   6.1815  102.317   14.076 25.50722 15.37362 
1 1 1    7   18   26 o  116.751   7.0537   97.652   9.1936  100.816   10.489   87.165   19.096  121.566   6.3672  111.936   12.589 9.629326 14.10749 
1 1 1    7   18   27 o  164.896   6.5549  202.180   12.005  215.861   13.816  159.995   24.260  177.975   5.7284  151.816   11.792 26.15831 13.10971 
1 1 1    7   18   28 o  148.715   6.3892  153.507   10.830  154.743   12.375  149.468   22.379  150.612   6.0634  146.819   11.248 3.792801 12.77831 
1 1 1    7   18   29 o  136.547   6.2881  127.301   11.635  127.301   11.635   0.0000   0.0000  136.547   6.2881  ?   ?       ?      ? 
1 1 1    7   18   30 o  142.515   6.2119  138.699   11.997  138.699   11.997   0.0000   0.0000  142.515   6.2119  ?   ?       ?      ? 
1 1 1    7   18   31 o  162.865   6.0049  181.115   13.253  181.115   13.253   0.0000   0.0000  162.865   6.0049  ?   ?       ?      ? 
1 1 1    7   18   32 o   88.060   7.8175   52.011   8.0434   50.154   9.2043   58.011   16.545   85.428   7.9507   90.692   13.462 -5.264359 15.63495 
1 1 1    7   18   33 o   84.387   7.5286   43.260   7.5432   37.426   8.5611   63.510   15.950   73.678   8.5744   95.095   12.377 -21.41644 15.05722 
1 1 1    7   18   34 o  129.831   6.3471  112.749   9.5768  109.308   10.939  124.038   19.815  126.366   6.3882  133.297   10.970 -6.931259 12.69419 
1 1 1    7   18   35 o   99.943   7.7929   75.877   8.6255   81.481   9.9485   58.909   17.310  109.004   6.7349   90.881   14.056 18.12294 15.58586 
1 1 1    7   18   36 o   53.325   10.118   19.036   6.7127   16.713   7.7459   26.043   13.453   47.798   11.982   58.851   16.306 -11.05325 20.23505 
1 1 1    7   18   37 o   79.606   7.8767   42.137   7.4918   39.626   8.6338   49.791   15.073   75.675   8.4191   83.536   13.315 -7.860680 15.75333 
1 1 1    7   18   38 o   97.471   7.8424   70.810   9.4482   78.723   11.676   55.804   16.080  106.689   8.0761   88.253   13.446 18.43591 15.68470 
1 1 1    7   18   39 o   36.074   9.6112   6.1585   7.1709   12.835   8.8333  -6.7462   12.281   42.408   13.584   29.739   13.601 12.66981 19.22235 
1 1 1    7   18   40 o   93.082   7.8973   64.241   9.1607   70.323   11.330   52.757   15.569  100.641   8.3072   85.522   13.434 15.11899 15.79465 
1 1 1    7   18   41 f   73.388   9.0587   40.940   8.1842   44.548   10.175   34.324   13.775   79.753   9.4144   67.022   15.479 12.73075 18.11736 
1 1 1    7   18   42 o   60.843   10.283   28.483   8.2707   30.045   10.678   26.141   13.076   63.538   12.843   58.148   16.062 5.390316 20.56572 
1 1 1    7   18   43 o   73.714   8.6503   37.378   8.3368   32.748   10.285   46.251   14.237   67.723   11.206   79.706   13.181 -11.98300 17.30066 
1 1 1    7   18   44 o   27.062   8.6909  -5.0652   6.7389  -7.6362   8.5689  -0.8974   10.910   23.184   10.861   30.939   13.570 -7.755089 17.38174 
1 1 1    7   18   45 o   34.032   9.6518   2.4502   7.0160  -3.6058   9.0113   11.772   11.180   26.277   11.872   41.787   15.221 -15.51039 19.30359 
1 1 1    7   18   46 o   38.165   10.318   8.4977   7.3013   7.2396   9.3660   10.447   11.657   35.670   13.734   40.659   15.401 -4.989933 20.63526 
1 1 1    7   18   47 o   84.275   7.9931   49.356   8.8532   43.310   11.013   60.400   14.885   77.673   10.463   90.877   12.087 -13.20414 15.98617 
1 1 1    7   18   48 o   44.318   10.794   13.765   7.7694   10.200   9.9499   19.334   12.437   39.007   14.336   49.629   16.139 -10.62202 21.58723 
1 1 1    7   18   49 o   38.880   13.868   10.578   9.2227   10.578   9.2227   0.0000   0.0000   38.880   13.868  ?   ?       ?      ? 
1 1 1    7   18   50 o   36.101   13.434   8.4572   8.7868   8.4572   8.7868   0.0000   0.0000   36.101   13.434  ?   ?       ?      ? 
1 1 1    7   18   51 o   46.522   13.609   16.929   9.1245   16.929   9.1245   0.0000   0.0000   46.522   13.609  ?   ?       ?      ? 
1 1 1    7   18   52 o   37.057   13.529   9.4275   8.8402   9.4275   8.8402   0.0000   0.0000   37.057   13.529  ?   ?       ?      ? 
1 1 1    7   18   53 o   62.627   11.963   29.975   9.7822   29.975   9.7822   0.0000   0.0000   62.627   11.963  ?   ?       ?      ? 
1 1 1    7   18   54 o   51.317   13.173   20.825   9.2071   20.825   9.2071   0.0000   0.0000   51.317   13.173  ?   ?       ?      ? 
1 1 1    7   18   55 o   30.879   12.635   4.1131   8.4067   4.1131   8.4067   0.0000   0.0000   30.879   12.635  ?   ?       ?      ? 
1 1 1    7   18   56 o   38.931   13.507   11.377   8.7055   11.377   8.7055   0.0000   0.0000   38.931   13.507  ?   ?       ?      ? 
1 1 1    7   18   57 o   37.875   13.448   10.603   8.6627   10.603   8.6627   0.0000   0.0000   37.875   13.448  ?   ?       ?      ? 
1 1 1    7   18   58 o   65.750   10.515   32.080   9.3685   32.080   9.3685   0.0000   0.0000   65.750   10.515  ?   ?       ?      ? 
1 1 1    7   18   59 o   30.913   12.586   4.6551   8.2885   4.6551   8.2885   0.0000   0.0000   30.913   12.586  ?   ?       ?      ? 
1 1 1    7   18   60 o   33.922   14.234   5.2644   11.045   5.2644   11.045   0.0000   0.0000   33.922   14.234  ?   ?       ?      ? 
1 1 1    7   18   61 o   41.724   15.296   14.147   11.316   14.147   11.316   0.0000   0.0000   41.724   15.296  ?   ?       ?      ? 
1 1 1    7   18   62 o   25.960   11.440   0.0428   7.8359   0.0428   7.8359   0.0000   0.0000   25.960   11.440  ?   ?       ?      ? 
1 1 1    7   19    0 o  191.519   7.7044  250.537   19.844  237.952   26.234  267.369   30.338  186.071   10.404  196.968   11.366 -10.89735 15.40877 
1 1 1    7   19    1 f  168.748   5.3419  194.137   12.159  191.643   16.380  197.199   18.148  167.599   7.2120  169.897   7.8822 -2.298584 10.68375 
1 1 1    7   19    2 o  111.550   6.2018   84.187   9.3107   76.948   12.317   93.841   14.223  106.045   8.5707  117.055   8.9662 -11.00962 12.40363 
1 1 1    7   19    3 o   90.772   6.9304   55.213   8.4223   46.382   10.999   67.731   13.095   82.196   9.8745   99.347   9.7270 -17.15055 13.86073 
1 1 1    7   19    4 o   74.975   8.8790   43.530   8.1476   59.218   10.872   23.431   12.306   93.015   8.6252   56.936   15.523 36.07940 17.75798 
1 1 1    7   19    5 o  179.765   5.2960  221.995   12.820  238.376   17.629  203.610   18.676  186.941   6.9590  172.590   7.9852 14.35141 10.59198 
1 1 1    7   19    6 o   79.728   7.7878   44.346   8.2568   47.199   10.910   40.522   12.632   82.915   9.7096   76.541   12.179 6.374100 15.57560 
1 1 1    7   19    7 o   84.644   7.2138   48.938   8.2041   46.896   10.824   51.696   12.577   82.646   9.6645   86.642   10.712 -3.996574 14.42752 
1 1 1    7   19    8 o  115.622   6.0808   90.176   9.4442   81.476   12.395  102.217   14.582  109.104   8.3834  122.140   8.8103 -13.03625 12.16158 
1 1 1    7   19    9 o   96.294   6.5548   63.360   8.4858   61.613   11.246   65.670   12.931   94.824   8.7520   97.763   9.7604 -2.939125 13.10966 
1 1 1    7   19   10 o   71.814   8.5902   35.399   7.9130   22.980   10.405   52.438   12.187   56.350   13.748   87.278   10.304 -30.92816 17.18036 
1 1 1    7   19   11 o  108.696   8.7351   82.820   12.484   85.984   16.031   77.946   19.900  111.692   10.592  105.700   13.893 5.992027 17.47021 
1 1 1    7   19   12 o   49.010   10.976   17.007   7.5516   18.394   8.5829   12.251   15.890   50.506   12.586   47.515   17.985 2.990108 21.95162 
1 1 1    7   19   13 o   68.075   10.303   33.664   8.1058   34.294   9.2671   31.613   16.723   70.612   9.6846   65.539   18.188 5.073624 20.60582 
1 1 1    7   19   14 o  118.025   7.1011   93.915   9.0656   92.587   10.103   99.405   20.540  116.503   6.3993  119.547   12.679 -3.044586 14.20224 
1 1 1    7   19   15 o  118.552   7.2928  103.021   9.1356  107.158   10.255   87.120   20.105  125.371   6.0364  111.733   13.278 13.63806 14.58565 
1 1 1    7   19   16 o   73.330   9.5544   39.871   7.3237   40.946   8.1892   35.574   16.368   77.326   7.8150   69.334   17.438 7.992081 19.10880 
1 1 1    7   19   17 o   78.852   8.0000   36.315   7.1825   31.456   7.9929   56.696   16.370   67.675   8.7155   90.029   13.418 -22.35319 16.00002 
1 1 1    7   19   18 o   75.081   9.4774   42.428   7.4593   44.034   8.3854   36.337   16.329   80.174   7.7181   69.989   17.312 10.18454 18.95484 
1 1 1    7   19   19 o   68.971   10.012   31.282   8.3460   26.641   9.7927   43.602   15.955   60.805   12.307   77.136   15.795 -16.33100 20.02327 
1 1 1    7   19   20 o   63.862   9.9377   21.832   8.3798   10.498   9.7741   53.277   16.280   40.682   14.301   87.041   13.802 -46.35897 19.87545 
1 1 1    7   19   21 o   46.995   11.216   15.085   8.1181   16.352   9.6250   11.964   15.111   47.679   13.986   46.312   17.537 1.367603 22.43105 
1 1 1    7   19   22 o  104.959   8.1083   76.238   10.338   75.606   12.165   77.882   19.613  104.815   8.5646  105.103   13.770 -0.2877579 16.21650 
1 1 1    7   19   23 o   90.745   9.1959   56.844   11.308   56.844   11.308   0.0000   0.0000   90.745   9.1959  ?   ?       ?      ? 
1 1 1    7   19   24 o   86.379   9.1481   51.535   10.708   51.535   10.708   0.0000   0.0000   86.379   9.1481  ?   ?       ?      ? 
1 1 1    7   19   25 o   73.806   9.5450   32.505   8.4598   25.042   9.6962   56.296   17.313   58.648   12.578   88.964   14.361 -30.31593 19.09009 
1 1 1    7   19   26 o   51.548   11.015   19.293   7.9030   19.771   9.3590   18.105   14.753   51.908   13.258   51.188   17.594 0.7193909 22.03012 
1 1 1    7   19   27 o   59.932   11.065   27.244   10.257   42.936   13.882   8.3743   15.223   76.667   13.872   43.197   17.243 33.47006 22.13036 
1 1 1    7   19   28 o   99.035   12.039   69.112   16.157   69.112   16.157   0.0000   0.0000   99.035   12.039  ?   ?       ?      ? 
1 1 1    7   19   29 f   88.930   9.1263   63.799   8.2791   69.370   9.4445   45.311   17.205  100.487   6.9356   77.373   16.884 23.11433 18.25256 
1 1 1    7   19   30 o  152.027   6.1677  156.452   10.621  153.409   12.028  167.219   22.628  149.673   5.9303  154.381   10.816 -4.707458 12.33535 
1 1 1    7   19   31 o   66.345   9.7437   35.459   7.1339   38.079   8.0618   26.002   15.316   74.211   8.0164   58.480   17.762 15.73072 19.48735 
1 1 1    7   19   32 o   74.227   8.5392   37.797   7.1039   36.107   8.0821   43.538   14.897   72.179   8.2629   76.275   14.946 -4.096443 17.07841 
1 1 1    7   19   33 o   39.569   10.195   8.8050   6.2017   7.5483   7.0636   13.033   12.955   34.347   12.149   44.790   16.375 -10.44294 20.38943 
1 1 1    7   19   34 o   57.089   9.9187   23.546   6.7730   22.760   7.7485   26.091   13.944   55.979   10.602   58.199   16.766 -2.220169 19.83745 
1 1 1    7   19   35 o   48.849   8.8248   20.610   6.6216   27.347   7.6744   0.9863   13.099   62.538   9.0556   35.160   15.149 27.37740 17.64952 
1 1 1    7   19   36 o   83.321   7.7189   49.115   7.5570   48.896   8.7478   49.757   15.003   83.936   7.6907   82.706   13.386 1.230400 15.43788 
1 1 1    7   19   37 o   88.077   8.5819   58.917   9.1478   64.223   11.331   48.987   15.501   95.791   8.7292   80.363   14.778 15.42811 17.16381 
1 1 1    7   19   38 o   70.790   9.4938   36.137   8.4404   32.381   10.390   43.426   14.474   66.135   12.037   75.445   14.685 -9.309914 18.98761 
1 1 1    7   19   39 o   70.479   9.4213   35.708   8.3418   31.456   10.259   44.003   14.330   65.039   12.085   75.918   14.457 -10.87879 18.84265 
1 1 1    7   19   40 o   65.411   9.7761   30.027   8.1203   22.869   9.9498   44.305   14.052   54.619   13.516   76.202   14.128 -21.58281 19.55223 
1 1 1    7   19   41 o   50.011   10.725   16.892   7.7329   11.000   9.4179   29.082   13.547   39.722   14.031   60.300   16.223 -20.57839 21.44907 
1 1 1    7   19   42 o   38.008   10.166   5.5170   7.2675  -0.6978   8.9294   17.711   12.508   28.010   12.281   48.006   16.204 -19.99638 20.33214 
1 1 1    7   19   43 o   96.759   7.9621   69.890   9.6299   73.403   11.793   62.857   16.684  101.929   8.5376   91.589   13.442 10.34016 15.92412 
1 1 1    7   19   44 o   54.608   13.215   23.132   9.6738   23.132   9.6738   0.0000   0.0000   54.608   13.215  ?   ?       ?      ? 
1 1 1    7   19   45 o   39.132   13.447   11.147   8.6170   11.147   8.6170   0.0000   0.0000   39.132   13.447  ?   ?       ?      ? 
1 1 1    7   19   46 o   36.880   13.496   9.2281   8.8045   9.2281   8.8045   0.0000   0.0000   36.880   13.496  ?   ?       ?      ? 
1 1 1    7   19   47 o   43.727   13.760   14.856   9.0957   14.856   9.0957   0.0000   0.0000   43.727   13.760  ?   ?       ?      ? 
1 1 1    7   19   48 o   46.616   13.539   17.148   9.0594   17.148   9.0594   0.0000   0.0000   46.616   13.539  ?   ?       ?      ? 
1 1 1    7   19   49 o   32.922   13.161   5.6282   8.8821   5.6282   8.8821   0.0000   0.0000   32.922   13.161  ?   ?       ?      ? 
1 1 1    7   19   50 o   49.885   13.345   19.807   9.1979   19.807   9.1979   0.0000   0.0000   49.885   13.345  ?   ?       ?      ? 
1 1 1    7   19   51 o   53.356   13.083   22.606   9.3866   22.606   9.3866   0.0000   0.0000   53.356   13.083  ?   ?       ?      ? 
1 1 1    7   19   52 o   39.043   13.442   11.550   8.6139   11.550   8.6139   0.0000   0.0000   39.043   13.442  ?   ?       ?      ? 
1 1 1    7   19   53 o   23.738   10.870  -3.7241   7.8770  -3.7241   7.8770   0.0000   0.0000   23.738   10.870  ?   ?       ?      ? 
1 1 1    7   19   54 o   38.530   13.389   11.340   8.5549   11.340   8.5549   0.0000   0.0000   38.530   13.389  ?   ?       ?      ? 
1 1 1    7   19   55 f   27.058   11.785   0.6016   8.1007   0.6016   8.1007   0.0000   0.0000   27.058   11.785  ?   ?       ?      ? 
1 1 1    7   19   56 o   28.998   13.069  -1.5506   10.844  -1.5506   10.844   0.0000   0.0000   28.998   13.069  ?   ?       ?      ? 
1 1 1    7   19   57 o   54.655   15.945   26.600   12.540   26.600   12.540   0.0000   0.0000   54.655   15.945  ?   ?       ?      ? 
1 1 1    7   19   58 o   25.968   12.226  -7.3714   11.093  -7.3714   11.093   0.0000   0.0000   25.968   12.226  ?   ?       ?      ? 
1 1 1    7   20    0 o   67.129   10.267   32.010   9.0169   41.005   14.011   25.650   11.781   75.143   14.281   59.115   14.753 16.02826 20.53311 
1 1 1    7   20    1 o  100.035   7.7223   70.282   10.271   64.437   15.731   74.624   13.560   96.102   12.079  103.969   9.6243 -7.867241 15.44452 
1 1 1    7   20    2 o  143.123   6.6119  138.757   12.578  154.002   20.229  129.148   16.059  149.235   10.003  137.012   8.6494 12.22365 13.22371 
1 1 1    7   20    3 o  105.883   6.6606   77.052   9.5147   67.491   13.054   87.888   13.898   98.836   9.7462  112.931   9.0812 -14.09462 13.32128 
1 1 1    7   20    4 o   48.334   10.458   16.130   7.5295   12.290   9.9958   21.167   11.448   42.854   14.485   53.813   15.089 -10.95951 20.91660 
1 1 1    7   20    5 o   85.780   7.2587   51.102   8.3847   52.297   11.327   49.654   12.471   87.008   9.6063   84.551   10.885 2.457062 14.51737 
1 1 1    7   20    6 o  101.169   6.7206   71.010   9.1654   74.898   12.574   66.604   13.387  104.255   8.9004   98.083   10.072 6.171890 13.44114 
1 1 1    7   20    7 o  101.211   6.6653   70.353   9.0955   67.017   12.157   74.593   13.708   98.567   9.1018  103.855   9.7398 -5.288521 13.33070 
1 1 1    7   20    8 o  117.428   6.2381   95.428   9.8554   98.774   13.315   91.374   14.657  119.849   8.1983  115.006   9.4045 4.843102 12.47623 
1 1 1    7   20    9 o  163.739   5.4681  184.408   12.058  186.988   16.247  181.245   17.992  165.145   7.2600  162.333   8.1787 2.812302 10.93618 
1 1 1    7   20   10 o  141.391   5.6055  137.592   10.688  139.351   14.475  135.482   15.848  142.492   7.4963  140.289   8.3363 2.203384 11.21108 
1 1 1    7   20   11 o   45.762   11.413   13.036   8.0443   12.307   9.3681   15.081   15.697   42.396   14.018   49.128   18.014 -6.732742 22.82596 
1 1 1    7   20   12 o   52.858   10.191   21.754   6.9556   24.023   7.7342   12.154   15.907   58.883   9.6925   46.833   17.930 12.05075 20.38235 
1 1 1    7   20   13 o   82.721   9.3060   53.079   7.7770   55.796   8.7264   42.591   17.145   90.181   7.1407   75.261   17.188 14.92006 18.61207 
1 1 1    7   20   14 o   72.029   9.0934   27.470   7.1787   21.518   7.8674   57.071   17.545   54.615   11.010   89.444   14.475 -34.82872 18.18680 
1 1 1    7   20   15 o  100.372   6.7447   69.066   9.1739   69.066   9.1739   0.0000   0.0000  100.372   6.7447  ?   ?       ?      ? 
1 1 1    7   20   16 o   75.965   7.9823   39.764   8.2172   39.764   8.2172   0.0000   0.0000   75.965   7.9823  ?   ?       ?      ? 
1 1 1    7   20   17 o   40.449   11.946   11.735   7.0011   11.735   7.0011   0.0000   0.0000   40.449   11.946  ?   ?       ?      ? 
1 1 1    7   20   18 o   50.478   10.420   18.753   6.6110   19.429   7.3286   15.797   15.319   51.806   10.789   49.150   17.830 2.656635 20.84067 
1 1 1    7   20   19 o   62.589   9.7633   34.090   6.9844   38.422   7.8388   17.402   15.384   74.651   7.7488   50.528   17.923 24.12295 19.52655 
1 1 1    7   20   20 o   63.071   9.9090   32.411   6.9335   34.869   7.7332   22.337   15.656   71.047   8.0321   55.096   18.117 15.95133 19.81804 
1 1 1    7   20   21 o   37.132   10.081   7.2456   6.0354   7.3299   6.7151   6.8913   13.767   33.828   11.856   40.436   16.307 -6.607853 20.16148 
1 1 1    7   20   22 o   44.394   9.9850   14.720   6.3177   16.474   7.0717   7.7866   14.060   47.453   11.181   41.336   16.547 6.117573 19.97002 
1 1 1    7   20   23 f   86.085   7.7880   51.697   7.3962   51.290   8.3233   53.225   16.126   86.272   7.1194   85.898   13.854 0.3730927 15.57599 
1 1 1    7   20   24 o   42.344   10.219   8.5364   6.1141   5.0943   6.8684   21.675   13.419   31.025   11.805   53.664   16.685 -22.63944 20.43890 
1 1 1    7   20   25 o   45.891   9.8444   16.155   6.3079   17.920   7.1654   10.075   13.298   49.460   10.977   42.321   16.345 7.139137 19.68881 
1 1 1    7   20   26 o   42.867   10.186   13.098   6.3984   14.202   7.1960   8.9283   13.982   43.876   11.832   41.858   16.583 2.017563 20.37153 
1 1 1    7   20   27 o   46.574   10.036   16.041   6.2923   16.615   7.1426   14.048   13.297   47.453   11.274   45.696   16.607 1.757084 20.07232 
1 1 1    7   20   28 o   65.813   9.4052   34.038   6.8784   35.793   7.8227   28.057   14.442   71.735   8.0471   59.892   17.002 11.84293 18.81040 
1 1 1    7   20   29 o   34.947   9.0591   7.4471   6.0551   11.770   6.9107  -6.8429   12.564   40.072   11.878   29.821   13.682 10.25127 18.11829 
1 1 1    7   20   30 o   41.766   10.190   10.965   6.1203   9.6198   6.9550   15.584   12.885   36.886   12.073   46.646   16.418 -9.759899 20.37924 
1 1 1    7   20   31 o   54.733   10.387   23.479   7.6037   24.700   9.1920   20.830   13.533   57.488   12.178   51.978   16.830 5.510170 20.77410 
1 1 1    7   20   32 o   46.744   9.4418   17.421   7.5243   26.776   9.2746  -0.5918   12.870   59.977   11.831   33.511   14.718 26.46626 18.88354 
1 1 1    7   20   33 o   40.125   13.554   11.543   8.7520   11.543   8.7520   0.0000   0.0000   40.125   13.554  ?   ?       ?      ? 
1 1 1    7   20   34 o   54.637   12.810   22.747   9.3201   22.747   9.3201   0.0000   0.0000   54.637   12.810  ?   ?       ?      ? 
1 1 1    7   20   35 o   49.237   9.1472   19.797   7.7982   30.826   9.5662  -2.0495   13.463   65.373   10.798   33.101   14.768 32.27240 18.29442 
1 1 1    7   20   36 o   71.014   9.7721   40.035   8.5943   43.265   10.567   33.724   14.770   77.686   10.038   64.342   16.770 13.34406 19.54425 
1 1 1    7   20   37 o   49.461   10.652   20.179   8.0619   24.299   9.8126   11.623   14.142   56.083   13.141   42.839   16.769 13.24415 21.30433 
1 1 1    7   20   38 o   30.603   9.4620  -0.3849   7.0754  -2.3401   8.7078   3.4141   12.138   26.375   11.814   34.830   14.784 -8.455393 18.92405 
1 1 1    7   20   39 o   44.152   14.035   15.039   9.4435   15.039   9.4435   0.0000   0.0000   44.152   14.035  ?   ?       ?      ? 
1 1 1    7   20   40 o   60.244   12.639   27.963   9.9894   27.963   9.9894   0.0000   0.0000   60.244   12.639  ?   ?       ?      ? 
1 1 1    7   20   41 o   42.201   14.167   13.569   9.5609   13.569   9.5609   0.0000   0.0000   42.201   14.167  ?   ?       ?      ? 
1 1 1    7   20   42 f   33.872   13.383   6.3120   9.0843   6.3120   9.0843   0.0000   0.0000   33.872   13.383  ?   ?       ?      ? 
1 1 1    7   20   43 o   57.346   12.932   25.754   9.8102   25.754   9.8102   0.0000   0.0000   57.346   12.932  ?   ?       ?      ? 
1 1 1    7   20   44 o   50.958   13.396   20.656   9.3729   20.656   9.3729   0.0000   0.0000   50.958   13.396  ?   ?       ?      ? 
1 1 1    7   20   45 o   60.627   12.270   28.502   9.7350   28.502   9.7350   0.0000   0.0000   60.627   12.270  ?   ?       ?      ? 
1 1 1    7   20   46 o   35.591   13.381   8.4783   8.7602   8.4783   8.7602   0.0000   0.0000   35.591   13.381  ?   ?       ?      ? 
1 1 1    7   20   47 o   28.531   12.159   1.8434   8.2690   1.8434   8.2690   0.0000   0.0000   28.531   12.159  ?   ?       ?      ? 
1 1 1    7   20   48 o   32.683   12.805   6.3079   8.2526   6.3079   8.2526   0.0000   0.0000   32.683   12.805  ?   ?       ?      ? 
1 1 1    7   20   49 o   40.899   13.345   13.245   8.4998   13.245   8.4998   0.0000   0.0000   40.899   13.345  ?   ?       ?      ? 
1 1 1    7   20   50 o   47.503   16.113   19.337   12.369   19.337   12.369   0.0000   0.0000   47.503   16.113  ?   ?       ?      ? 
1 1 1    7   20   51 o   31.668   13.742   2.4204   10.932   2.4204   10.932   0.0000   0.0000   31.668   13.742  ?   ?       ?      ? 
1 1 1    7   20   52 o   33.115   14.154   4.2463   11.265   4.2463   11.265   0.0000   0.0000   33.115   14.154  ?   ?       ?      ? 
1 1 1    7   20   53 o   52.200   15.902   24.518   12.262   24.518   12.262   0.0000   0.0000   52.200   15.902  ?   ?       ?      ? 
1 1 1    7   21    0 o   70.638   8.5226   38.105   7.5101   46.082   9.8076   26.799   11.677   81.463   8.8843   59.812   14.547 21.65033 17.04517 
1 1 1    7   21    1 o   75.948   7.6525   40.171   7.7187   38.770   9.9026   42.341   12.321   74.518   9.8063   77.378   11.751 -2.860031 15.30491 
1 1 1    7   21    2 o  101.528   6.4119   71.166   8.6800   68.916   11.235   74.497   13.671   99.760   8.3106  103.297   9.7665 -3.537445 12.82383 
1 1 1    7   21    3 o  101.787   6.5590   73.423   8.8273   79.605   11.622   64.993   13.571  107.295   7.9930   96.280   10.402 11.01533 13.11791 
1 1 1    7   21    4 o   78.578   9.0924   41.586   8.5206   37.797   9.9267   52.191   16.607   73.513   9.9647   83.644   15.212 -10.13120 18.18486 
1 1 1    7   21    5 o   42.196   11.004   9.1990   7.5860   6.2708   8.8780   17.121   14.603   34.758   13.374   49.635   17.478 -14.87700 22.00770 
1 1 1    7   21    6 f   42.324   11.777   9.0920   9.8637   8.2777   13.254   10.103   14.768   40.952   16.170   43.696   17.127 -2.744194 23.55436 
1 1 1    7   21    7 o   40.281   11.363   5.2099   9.5013  -1.2826   12.315   14.758   14.935   32.935   14.432   47.627   17.555 -14.69220 22.72612 
1 1 1    7   21    8 o   70.163   10.120   36.528   9.2071   38.376   14.190   35.184   12.100   71.368   15.141   68.957   13.431 2.410988 20.24006 
1 1 1    7   21    9 o   52.181   10.278   20.498   8.5681   5.6458   12.912   32.184   11.453   38.452   15.688   65.910   13.282 -27.45767 20.55525 
1 1 1    7   21   10 f   82.997   8.4169   48.244   9.3124   53.301   14.811   44.938   11.976   86.272   12.669   79.721   11.085 6.551758 16.83376 
1 1 1    7   21   11 o   68.791   10.063   36.705   7.1414   37.740   7.8739   31.908   16.956   73.809   7.8721   63.772   18.523 10.03751 20.12597 
1 1 1    7   21   12 o   31.631   9.4574   2.8963   6.0507   4.7557   6.6686  -5.7654   14.393   30.317   11.609   32.944   14.933 -2.627077 18.91477 
1 1 1    7   21   13 o   66.666   9.8593   34.747   6.9293   35.969   7.6827   29.413   16.045   72.024   7.8715   61.308   18.079 10.71601 19.71856 
1 1 1    7   21   14 o   69.309   9.4269   32.568   6.9352   30.798   7.6811   40.378   16.134   66.494   8.5243   72.124   16.817 -5.630409 18.85384 
1 1 1    7   21   15 o   55.130   10.296   21.262   6.5609   20.197   7.2845   25.838   15.100   52.599   10.586   57.660   17.661 -5.060757 20.59112 
1 1 1    7   21   16 o   42.628   9.8239   13.861   6.2854   16.234   6.9909   3.8519   14.358   46.894   11.162   38.361   16.169 8.532906 19.64775 
1 1 1    7   21   17 o   33.032   8.9850   5.4967   6.0764   10.080   6.7780 -13.2681   13.715   37.545   11.886   28.519   13.478 9.026100 17.97005 
1 1 1    7   21   18 o   45.158   10.558   13.132   6.2488   11.990   6.9160   18.208   14.583   40.404   11.857   49.912   17.473 -9.507790 21.11591 
1 1 1    7   21   19 o   31.945   9.4097   3.6576   5.9530   5.1596   6.6379  -2.5152   13.457   30.634   11.618   33.256   14.806 -2.621967 18.81948 
1 1 1    7   21   20 o   72.972   9.3840   42.035   7.1570   43.857   8.0503   35.166   15.633   79.453   7.4768   66.492   17.214 12.96117 18.76793 
1 1 1    7   21   21 o   56.846   9.9796   22.927   6.5849   21.568   7.4062   28.055   14.387   54.252   10.453   59.439   17.003 -5.187386 19.95919 
1 1 1    7   21   22 o   37.614   10.088   6.0070   6.0026   3.5439   6.7384   15.474   13.211   28.770   11.476   46.459   16.595 -17.68837 20.17676 
1 1 1    7   21   23 o   47.715   9.9019   8.8196   6.1685   2.9203   6.8097   35.797   14.562   28.158   11.429   67.273   16.173 -39.11496 19.80374 
1 1 1    7   21   24 f   60.814   9.9544   31.361   7.9496   37.026   9.5346   18.442   14.398   72.181   9.7477   49.448   17.359 22.73206 19.90883 
1 1 1    7   21   25 f   50.648   9.3573   21.926   7.6243   30.351   9.0953   2.0130   13.983   65.116   10.307   36.180   15.620 28.93537 18.71467 
1 1 1    7   21   26 o   43.389   10.809   13.338   7.4426   13.211   8.8291   13.650   13.834   42.109   13.590   44.669   16.811 -2.559914 21.61704 
1 1 1    7   21   27 o   34.938   10.231   3.9883   7.2177   2.3081   8.5097   8.2957   13.625   29.828   12.504   40.048   16.197 -10.21939 20.46205 
1 1 1    7   21   28 o   66.521   9.9091   37.838   8.2735   44.645   10.052   23.546   14.566   79.170   9.3696   53.871   17.463 25.29898 19.81810 
1 1 1    7   21   29 o   47.157   10.582   17.820   7.6454   20.441   9.2674   12.236   13.528   51.343   13.236   42.971   16.515 8.371918 21.16458 
1 1 1    7   21   30 o   55.028   10.800   21.930   7.8288   17.674   9.3297   32.059   14.393   47.616   13.714   62.441   16.689 -14.82485 21.60076 
1 1 1    7   21   31 o   40.116   10.299   11.479   7.2763   13.990   8.8376   6.1942   12.821   42.786   13.575   37.446   15.493 5.339897 20.59831 
1 1 1    7   21   32 f   68.140   9.5926   35.597   8.1799   35.322   9.9831   36.158   14.269   69.701   10.569   66.578   16.011 3.122993 19.18528 
1 1 1    7   21   33 o   47.938   14.054   18.162   9.7213   18.162   9.7213   0.0000   0.0000   47.938   14.054  ?   ?       ?      ? 
1 1 1    7   21   34 o   79.803   9.8070   46.010   10.606   46.010   10.606   0.0000   0.0000   79.803   9.8070  ?   ?       ?      ? 
1 1 1    7   21   35 o   27.146   11.991  -0.9070   8.6596  -0.9070   8.6596   0.0000   0.0000   27.146   11.991  ?   ?       ?      ? 
1 1 1    7   21   36 o   35.167   13.619   7.5169   9.2525   7.5169   9.2525   0.0000   0.0000   35.167   13.619  ?   ?       ?      ? 
1 1 1    7   21   37 o   53.134   13.301   22.386   9.5549   22.386   9.5549   0.0000   0.0000   53.134   13.301  ?   ?       ?      ? 
1 1 1    7   21   38 o   44.261   13.740   15.506   9.1044   15.506   9.1044   0.0000   0.0000   44.261   13.740  ?   ?       ?      ? 
1 1 1    7   21   39 o   23.716   10.948  -4.8021   8.2161  -4.8021   8.2161   0.0000   0.0000   23.716   10.948  ?   ?       ?      ? 
1 1 1    7   21   40 o   43.576   13.655   15.088   8.9685   15.088   8.9685   0.0000   0.0000   43.576   13.655  ?   ?       ?      ? 
1 1 1    7   21   41 o   40.338   15.765   11.222   12.484   11.222   12.484   0.0000   0.0000   40.338   15.765  ?   ?       ?      ? 
1 1 1    7   21   42 o   41.335   15.891   12.509   12.527   12.509   12.527   0.0000   0.0000   41.335   15.891  ?   ?       ?      ? 
1 1 1    7   21   43 o   48.541   16.349   20.154   12.732   20.154   12.732   0.0000   0.0000   48.541   16.349  ?   ?       ?      ? 
1 1 1    7   21   44 o   23.542   11.327 -12.3620   10.632 -12.3620   10.632   0.0000   0.0000   23.542   11.327  ?   ?       ?      ? 
1 1 1    7   21   45 o   52.556   16.389   24.490   12.936   24.490   12.936   0.0000   0.0000   52.556   16.389  ?   ?       ?      ? 
1 1 1    7   21   46 f   45.790   16.157   18.134   12.486   18.134   12.486   0.0000   0.0000   45.790   16.157  ?   ?       ?      ? 
1 1 1    7   21   47 o   24.935   11.175  -1.3164   7.8042  -1.3164   7.8042   0.0000   0.0000   24.935   11.175  ?   ?       ?      ? 
1 1 1    7   21   48 o   39.797   13.057   12.971   8.1336   12.971   8.1336   0.0000   0.0000   39.797   13.057  ?   ?       ?      ? 
1 1 1    7   22    0 o   31.045   9.0136   3.0187   6.2336   6.4617   7.7402  -3.3358   10.515   33.336   12.568   28.755   12.923 4.580992 18.02714 
1 1 1    7   22    1 o   38.274   10.725   6.2986   6.9617   4.5963   7.8225   12.782   15.266   31.354   12.409   45.194   17.496 -13.84019 21.45022 
1 1 1    7   22    2 o   54.048   9.7449   26.242   7.7137   32.745   8.8017   4.7088   16.017   68.036   9.5466   40.060   16.992 27.97610 19.48985 
1 1 1    7   22    3 o   36.892   10.532   0.1831   6.8577  -4.1112   7.6141   18.633   15.782   23.547   10.746   50.238   18.118 -26.69047 21.06470 
1 1 1    7   22    4 o   46.386   9.8859   16.670   6.7752   18.995   8.5147   12.658   11.186   50.108   12.563   42.664   15.267 7.443405 19.77179 
1 1 1    7   22    5 o   69.083   8.2084   33.491   7.3800   27.923   9.3554   42.665   12.008   61.307   11.687   76.860   11.529 -15.55321 16.41676 
1 1 1    7   22    6 o   37.555   9.4491   9.2958   6.4351   13.592   8.1466   2.1677   10.494   42.651   12.954   32.459   13.760 10.19219 18.89822 
1 1 1    7   22    7 o   41.472   10.044   11.976   6.6175   10.664   8.3291   14.221   10.897   38.823   13.222   44.122   15.123 -5.299690 20.08839 
1 1 1    7   22    8 o   42.126   10.035   12.841   6.6664   12.738   8.4813   13.006   10.783   41.531   13.311   42.721   15.021 -1.190712 20.07059 
1 1 1    7   22    9 o   41.065   9.3326   12.289   6.6008   18.660   8.4336   2.2140   10.605   49.563   12.545   32.566   13.821 16.99701 18.66519 
1 1 1    7   22   10 f   34.183   10.246   3.1791   7.1346   2.8813   8.1282   4.1786   14.891   29.918   12.353   38.448   16.349 -8.530054 20.49118 
1 1 1    7   22   11 o   41.288   9.9884   12.697   6.1889   14.302   6.8161   5.1573   14.771   43.643   11.400   38.934   16.405 4.709843 19.97679 
1 1 1    7   22   12 o   53.535   9.9108   24.066   6.6134   26.187   7.3032   14.405   15.589   60.877   8.8527   46.193   17.735 14.68412 19.82152 
1 1 1    7   22   13 o   50.299   9.6248   21.117   6.4399   23.576   7.1957   11.221   14.434   57.644   9.2117   42.955   16.902 14.68898 19.24966 
1 1 1    7   22   14 o   56.335   10.006   24.287   6.5246   24.471   7.2281   23.478   15.163   58.742   9.0801   53.928   17.834 4.814251 20.01276 
1 1 1    7   22   15 o   62.276   10.215   30.743   7.9028   31.916   9.2683   27.617   15.127   66.641   10.263   57.912   17.666 8.728329 20.43073 
1 1 1    7   22   16 o   45.239   10.911   14.936   7.3172   14.720   8.4101   15.610   14.843   43.910   13.123   46.568   17.435 -2.657177 21.82178 
1 1 1    7   22   17 o   73.528   9.9824   49.320   8.5524   59.238   10.167   25.311   15.818   91.687   8.1825   55.369   18.211 36.31722 19.96472 
1 1 1    7   22   18 o   60.915   10.561   28.313   7.8790   27.002   9.1614   32.035   15.441   59.849   11.715   61.981   17.575 -2.131584 21.12194 
1 1 1    7   22   19 o   39.435   9.4035   11.274   7.0865   18.136   8.2629  -7.8092   13.780   48.543   12.489   30.327   14.062 18.21599 18.80699 
1 1 1    7   22   20 o   61.443   10.462   25.392   7.7407   19.950   8.8871   42.498   15.757   50.724   12.899   72.163   16.475 -21.43880 20.92452 
1 1 1    7   22   21 f   90.745   8.0499   56.036   9.0029   50.310   10.514   71.773   17.430   83.888   9.2488   97.603   13.178 -13.71542 16.09978 
1 1 1    7   22   22 o   94.823   7.9552   62.682   9.2369   58.451   10.808   74.142   17.788   90.601   8.8033   99.045   13.253 -8.444252 15.91049 
1 1 1    7   22   23 o   44.340   10.457   15.701   7.4138   18.375   8.7213   8.7363   14.077   48.516   13.002   40.164   16.383 8.352516 20.91486 
1 1 1    7   22   24 o   22.873   7.8443 -11.2670   6.4669 -10.0107   7.4994 -14.9108   12.771   19.777   9.5150   25.968   12.474 -6.191103 15.68866 
1 1 1    7   22   25 o   67.372   9.7130   32.292   7.9661   27.032   9.4048   45.646   14.986   59.375   12.099   75.369   15.198 -15.99404 19.42591 
1 1 1    7   22   26 o   70.120   10.286   35.815   9.7743   35.815   9.7743   0.0000   0.0000   70.120   10.286  ?   ?       ?      ? 
1 1 1    7   22   27 o   33.008   12.919   6.1636   8.3933   6.1636   8.3933   0.0000   0.0000   33.008   12.919  ?   ?       ?      ? 
1 1 1    7   22   28 o   46.777   13.354   17.319   8.8838   17.319   8.8838   0.0000   0.0000   46.777   13.354  ?   ?       ?      ? 
1 1 1    7   22   29 o   27.886   11.934   1.3064   8.0274   1.3064   8.0274   0.0000   0.0000   27.886   11.934  ?   ?       ?      ? 
1 1 1    7   22   30 f   62.779   11.421   30.018   9.3581   30.018   9.3581   0.0000   0.0000   62.779   11.421  ?   ?       ?      ? 
1 1 1    7   22   31 o   44.725   13.350   15.881   8.7077   15.881   8.7077   0.0000   0.0000   44.725   13.350  ?   ?       ?      ? 
1 1 1    7   22   32 o   19.196   9.3018 -11.0003   7.4883 -11.0003   7.4883   0.0000   0.0000   19.196   9.3018  ?   ?       ?      ? 
1 1 1    7   22   33 o   39.010   13.232   11.610   8.3413   11.610   8.3413   0.0000   0.0000   39.010   13.232  ?   ?       ?      ? 
1 1 1    7   22   34 o   29.911   12.226   3.9602   7.8611   3.9602   7.8611   0.0000   0.0000   29.911   12.226  ?   ?       ?      ? 
1 1 1    7   22   35 f   42.536   13.513   14.459   8.7553   14.459   8.7553   0.0000   0.0000   42.536   13.513  ?   ?       ?      ? 
1 1 1    7   22   36 o   48.858   12.960   19.261   8.7217   19.261   8.7217   0.0000   0.0000   48.858   12.960  ?   ?       ?      ? 
1 1 1    7   22   37 o   27.102   11.744   0.8931   7.9612   0.8931   7.9612   0.0000   0.0000   27.102   11.744  ?   ?       ?      ? 
1 1 1    7   22   38 o   46.646   13.219   17.821   8.7376   17.821   8.7376   0.0000   0.0000   46.646   13.219  ?   ?       ?      ? 
1 1 1    7   22   39 o   31.431   12.527   5.6707   8.0224   5.6707   8.0224   0.0000   0.0000   31.431   12.527  ?   ?       ?      ? 
1 1 1    7   22   40 o   52.553   12.308   22.324   8.6114   22.324   8.6114   0.0000   0.0000   52.553   12.308  ?   ?       ?      ? 
1 1 1    7   22   41 f   20.482   9.7389  -7.2973   7.3725  -7.2973   7.3725   0.0000   0.0000   20.482   9.7389  ?   ?       ?      ? 
1 1 1    7   22   42 o   35.946   12.866   10.026   7.9443   10.026   7.9443   0.0000   0.0000   35.946   12.866  ?   ?       ?      ? 
1 1 1    7   23    0 o   65.410   8.4988   30.225   7.1928   16.156   9.1798   52.598   11.576   45.494   13.736   85.326   10.012 -39.83173 16.99761 
1 1 1    7   23    1 f   70.826   8.2728   38.727   7.3849   43.326   9.5650   31.940   11.620   77.873   9.0639   63.780   13.842 14.09337 16.54554 
1 1 1    7   23    2 o   42.654   9.5415   14.318   6.5989   18.886   8.3410   6.6740   10.789   49.397   12.461   35.912   14.452 13.48497 19.08298 
1 1 1    7   23    3 o   31.929   8.9594   4.2248   6.2874   9.4963   7.9357  -4.6641   10.305   36.644   12.886   27.215   12.451 9.428205 17.91882 
1 1 1    7   23    4 o   50.244   9.6129   20.724   6.8124   24.179   8.5807   14.833   11.204   56.405   11.613   44.084   15.322 12.32054 19.22585 
1 1 1    7   23    5 o   41.222   10.514   11.995   7.6953   7.7350   10.897   16.232   10.869   36.902   14.633   45.543   15.101 -8.641422 21.02802 
1 1 1    7   23    6 o   34.585   9.8723   4.8563   7.4032   10.605   10.635  -0.5474   10.312   39.418   14.758   29.752   13.117 9.666437 19.74460 
1 1 1    7   23    7 o   30.562   9.3671   0.3702   7.2470   4.0755   10.479  -3.0263   10.033   33.361   13.921   27.763   12.537 5.597471 18.73411 
1 1 1    7   23    8 o   44.059   10.490   14.648   7.6540   9.4437   10.780   19.938   10.869   38.332   14.741   49.786   14.928 -11.45410 20.97908 
1 1 1    7   23    9 o   50.290   10.895   13.973   9.0434   0.9868   11.096   39.657   15.606   31.723   13.805   68.857   16.860 -37.13421 21.79052 
1 1 1    7   23   10 o   62.052   10.177   30.411   7.7483   30.529   9.0228   30.081   15.122   64.768   10.280   59.336   17.566 5.431774 20.35304 
1 1 1    7   23   11 o   38.792   10.285   10.398   6.9159   11.708   7.9652   6.3851   13.940   39.403   12.921   38.182   16.004 1.221115 20.56912 
1 1 1    7   23   12 o   39.678   10.418   10.428   6.7633   9.6093   7.8348   12.824   13.398   36.599   12.808   42.756   16.435 -6.157597 20.83651 
1 1 1    7   23   13 o   42.625   9.9309   14.807   6.9733   18.462   8.0900   4.2403   13.755   48.729   12.261   36.521   15.625 12.20781 19.86183 
1 1 1    7   23   14 o   37.602   9.6489   9.9034   7.0120   14.986   8.0930  -5.4002   14.043   43.810   12.817   31.394   14.426 12.41611 19.29771 
1 1 1    7   23   15 o   46.728   11.243   14.656   8.6330   7.1534   10.758   28.225   14.468   36.031   14.456   57.425   17.223 -21.39376 22.48593 
1 1 1    7   23   16 f   52.742   11.505   23.551   9.0736   25.575   11.650   20.430   14.467   55.840   15.053   49.645   17.402 6.194775 23.00930 
1 1 1    7   23   17 o   39.293   10.919   9.9562   8.5098   12.014   10.787   6.5657   13.847   40.592   14.926   37.994   15.939 2.598183 21.83708 
1 1 1    7   23   18 o   22.399   10.754 -11.4569   9.4630 -11.4569   9.4630   0.0000   0.0000   22.399   10.754  ?   ?       ?      ? 
1 1 1    7   23   19 o   44.629   14.944   15.871   10.637   15.871   10.637   0.0000   0.0000   44.629   14.944  ?   ?       ?      ? 
1 1 1    7   23   20 o   29.338   12.963  -0.3964   10.126  -0.3964   10.126   0.0000   0.0000   29.338   12.963  ?   ?       ?      ? 
1 1 1    7   23   21 o   44.437   15.381   15.742   11.284   15.742   11.284   0.0000   0.0000   44.437   15.381  ?   ?       ?      ? 
1 1 1    7   23   22 o   27.782   12.623  -3.2561   10.361  -3.2561   10.361   0.0000   0.0000   27.782   12.623  ?   ?       ?      ? 
1 1 1    7   23   23 o   57.690   15.096   27.723   11.938   27.723   11.938   0.0000   0.0000   57.690   15.096  ?   ?       ?      ? 
1 1 1    7   23   24 o   39.842   15.233   11.318   11.471   11.318   11.471   0.0000   0.0000   39.842   15.233  ?   ?       ?      ? 
1 1 1    7   23   25 o   34.836   14.284   6.2714   10.773   6.2714   10.773   0.0000   0.0000   34.836   14.284  ?   ?       ?      ? 
1 1 1    7   23   26 o   35.869   14.608   7.2182   11.171   7.2182   11.171   0.0000   0.0000   35.869   14.608  ?   ?       ?      ? 
1 1 1    7   23   27 o   46.729   15.546   18.371   11.514   18.371   11.514   0.0000   0.0000   46.729   15.546  ?   ?       ?      ? 
1 1 1    7   23   28 o   34.051   14.182   5.5228   10.845   5.5228   10.845   0.0000   0.0000   34.051   14.182  ?   ?       ?      ? 
1 1 1    7   23   29 o   29.399   13.099  -0.4368   10.556  -0.4368   10.556   0.0000   0.0000   29.399   13.099  ?   ?       ?      ? 
1 1 1    7   23   30 o   24.760   11.645  -7.3208   10.012  -7.3208   10.012   0.0000   0.0000   24.760   11.645  ?   ?       ?      ? 
1 1 1    7   23   31 f   26.473   12.121  -3.4159   9.7918  -3.4159   9.7918   0.0000   0.0000   26.473   12.121  ?   ?       ?      ? 
1 1 1    7   23   32 o   22.568   10.841 -10.7587   9.6484 -10.7587   9.6484   0.0000   0.0000   22.568   10.841  ?   ?       ?      ? 
1 1 1    7   23   33 o   18.267   9.1179 -21.3194   9.2036 -21.3194   9.2036   0.0000   0.0000   18.267   9.1179  ?   ?       ?      ? 
1 1 1    7   23   34 o   37.734   14.726   10.663   10.881   10.663   10.881   0.0000   0.0000   37.734   14.726  ?   ?       ?      ? 
1 1 1    7   23   35 o   30.531   13.328   2.3876   10.413   2.3876   10.413   0.0000   0.0000   30.531   13.328  ?   ?       ?      ? 
1 1 1    7   23   36 o   43.133   15.372   16.524   11.329   16.524   11.329   0.0000   0.0000   43.133   15.372  ?   ?       ?      ? 
1 1 1    7   23   37 o   21.974   10.638 -11.7569   9.7357 -11.7569   9.7357   0.0000   0.0000   21.974   10.638  ?   ?       ?      ? 
1 1 1    7   24    0 o   33.370   13.584   5.5916   9.6538   0.0000   0.0000   5.5916   9.6538  ?   ?    33.370   13.584      ?      ? 
1 1 1    7   24    1 o   29.008   9.1123  -0.9929   7.1109   1.3585   10.817  -2.7823   9.4363   31.256   13.616   26.759   12.114 4.497423 18.22465 
1 1 1    7   24    2 o   36.746   9.8948   6.9308   7.2364   16.178   11.011  -0.0990   9.6009   44.734   15.203   28.759   12.669 15.97499 19.78958 
1 1 1    7   24    3 o   43.497   10.425   15.023   7.6256   9.3824   11.309   19.724   10.326   38.029   14.962   48.966   14.520 -10.93672 20.84955 
1 1 1    7   24    4 o   44.552   10.785   16.008   7.8120   16.425   11.667   15.669   10.518   44.997   15.636   44.106   14.859 0.8909073 21.57016 
1 1 1    7   24    5 o   38.169   10.377   9.9907   7.5518   9.3177   11.173   10.557   10.247   37.844   14.877   38.495   14.472 -0.6510658 20.75484 
1 1 1    7   24    6 f   38.356   10.051   9.5139   7.4635   1.9800   10.687   16.687   10.428   31.484   13.624   45.227   14.782 -13.74306 20.10279 
1 1 1    7   24    7 o   44.516   9.9279   15.585   7.5374   4.9257   11.158   24.530   10.222   34.121   14.311   54.911   13.764 -20.79035 19.85575 
1 1 1    7   24    8 o   37.010   10.443   7.9120   8.4018   13.371   10.318  -2.8281   14.473   41.408   14.680   32.611   14.856 8.796619 20.88573 
1 1 1    7   24    9 f   24.013   10.748  -1.6532   7.1952  -1.6532   7.1952   0.0000   0.0000   24.013   10.748  ?   ?       ?      ? 
1 1 1    7   24   10 o   25.049   11.023  -0.4298   7.2513  -0.4298   7.2513   0.0000   0.0000   25.049   11.023  ?   ?       ?      ? 
1 1 1    7   24   11 o   37.930   12.742   11.056   7.7340   11.056   7.7340   0.0000   0.0000   37.930   12.742  ?   ?       ?      ? 
1 1 1    7   24   12 o   36.393   12.801   9.8730   7.8312   9.8730   7.8312   0.0000   0.0000   36.393   12.801  ?   ?       ?      ? 
1 1 1    7   24   13 o   37.264   12.716   10.609   7.7031   10.609   7.7031   0.0000   0.0000   37.264   12.716  ?   ?       ?      ? 
1 1 1    7   24   14 o   41.241   12.802   13.577   7.9039   13.577   7.9039   0.0000   0.0000   41.241   12.802  ?   ?       ?      ? 
1 1 1    7   24   15 o   45.106   12.757   16.443   8.1462   16.443   8.1462   0.0000   0.0000   45.106   12.757  ?   ?       ?      ? 
1 1 1    7   24   16 o   29.559   12.099   4.0379   7.7109   4.0379   7.7109   0.0000   0.0000   29.559   12.099  ?   ?       ?      ? 
1 1 1    7   24   17 o   28.339   11.943   2.6366   7.8323   2.6366   7.8323   0.0000   0.0000   28.339   11.943  ?   ?       ?      ? 
1 1 1    7   24   18 o   38.237   13.114   11.470   8.1947   11.470   8.1947   0.0000   0.0000   38.237   13.114  ?   ?       ?      ? 
1 1 1    7   24   19 o   75.302   9.4709   41.925   9.6645   41.925   9.6645   0.0000   0.0000   75.302   9.4709  ?   ?       ?      ? 
1 1 1    7   24   20 o   36.659   12.958   10.348   8.0338   10.348   8.0338   0.0000   0.0000   36.659   12.958  ?   ?       ?      ? 
1 1 1    7   24   21 o   45.902   12.834   17.374   8.2942   17.374   8.2942   0.0000   0.0000   45.902   12.834  ?   ?       ?      ? 
1 1 1    7   24   22 o   29.107   12.047   3.8139   7.7570   3.8139   7.7570   0.0000   0.0000   29.107   12.047  ?   ?       ?      ? 
1 1 1    7   24   23 o   42.644   13.108   15.145   8.3094   15.145   8.3094   0.0000   0.0000   42.644   13.108  ?   ?       ?      ? 
1 1 1    7   24   24 o   49.303   12.953   20.331   8.7662   20.331   8.7662   0.0000   0.0000   49.303   12.953  ?   ?       ?      ? 
1 1 1    7   24   25 o   26.255   11.543   0.4798   7.9355   0.4798   7.9355   0.0000   0.0000   26.255   11.543  ?   ?       ?      ? 
1 1 1    7   24   26 o   33.465   12.760   8.0770   8.0342   8.0770   8.0342   0.0000   0.0000   33.465   12.760  ?   ?       ?      ? 
1 1 1    7   24   27 o   34.677   13.045   9.1301   8.3287   9.1301   8.3287   0.0000   0.0000   34.677   13.045  ?   ?       ?      ? 
1 1 1    7   24   28 f   29.373   12.279   4.1334   8.1725   4.1334   8.1725   0.0000   0.0000   29.373   12.279  ?   ?       ?      ? 
1 1 1    7   24   29 o   32.500   12.644   7.5218   8.0029   7.5218   8.0029   0.0000   0.0000   32.500   12.644  ?   ?       ?      ? 
1 1 1    7   24   30 o   20.128   9.6458  -7.9236   7.5382  -7.9236   7.5382   0.0000   0.0000   20.128   9.6458  ?   ?       ?      ? 
1 1 1    7   24   31 o   19.180   9.2821  -9.3375   7.3962  -9.3375   7.3962   0.0000   0.0000   19.180   9.2821  ?   ?       ?      ? 
1 1 1    7   24   32 o   39.702   15.063   14.401   11.161   14.401   11.161   0.0000   0.0000   39.702   15.063  ?   ?       ?      ? 
1 1 1    7   25    0 o   40.736   11.105   12.539   8.9405   6.2466   12.259   19.690   13.068   34.952   14.847   46.520   16.517 -11.56766 22.20933 
1 1 1    7   25    1 o   30.778   9.6128  -1.7454   8.2733 -10.8587   11.246   9.0054   12.215   24.600   11.787   36.957   15.189 -12.35619 19.22567 
1 1 1    7   25    2 o   37.861   10.872   9.6622   8.7019   6.5284   11.602   13.693   13.157   34.658   14.568   41.064   16.144 -6.406086 21.74490 
1 1 1    7   25    3 o   49.738   10.032   20.051   9.1510   39.573   12.676  -1.1994   13.225   68.271   14.165   31.205   14.210 37.06538 20.06453 
1 1 1    7   25    4 o   54.202   11.970   27.816   9.7394   27.801   13.184   27.833   14.450   54.658   16.452   53.746   17.391 0.9116211 23.93970 
1 1 1    7   25    5 o   39.833   11.198   12.044   9.0236   8.8267   12.038   16.170   13.633   36.590   15.063   43.075   16.574 -6.484909 22.39591 
1 1 1    7   25    6 o   33.692   9.9199   0.5136   8.2709 -11.2935   10.866   16.774   12.752   23.858   11.472   43.525   16.187 -19.66706 19.83983 
1 1 1    7   25    7 o   41.939   11.004   12.865   8.9648   3.0306   12.020   25.194   13.458   32.396   14.226   51.481   16.792 -19.08484 22.00739 
1 1 1    7   25    8 o   32.970   14.281   4.2979   11.764   4.2979   11.764   0.0000   0.0000   32.970   14.281  ?   ?       ?      ? 
1 1 1    7   25    9 o   30.523   13.502   1.6716   11.015   1.6716   11.015   0.0000   0.0000   30.523   13.502  ?   ?       ?      ? 
1 1 1    7   25   10 o   29.363   13.338  -1.0894   11.558  -1.0894   11.558   0.0000   0.0000   29.363   13.338  ?   ?       ?      ? 
1 1 1    7   25   11 o   33.107   14.187   5.1886   11.370   5.1886   11.370   0.0000   0.0000   33.107   14.187  ?   ?       ?      ? 
1 1 1    7   25   12 o   27.001   12.568  -4.6011   11.173  -4.6011   11.173   0.0000   0.0000   27.001   12.568  ?   ?       ?      ? 
1 1 1    7   25   13 o   24.292   11.102  -2.4684   8.1623  -2.4684   8.1623   0.0000   0.0000   24.292   11.102  ?   ?       ?      ? 
1 1 1    7   25   14 o   33.729   12.881   8.4823   8.1968   8.4823   8.1968   0.0000   0.0000   33.729   12.881  ?   ?       ?      ? 
1 1 1    7   25   15 o   22.257   10.343  -4.0589   7.5188  -4.0589   7.5188   0.0000   0.0000   22.257   10.343  ?   ?       ?      ? 
1 1 1    7   25   16 o   23.516   10.779  -2.6125   7.7729  -2.6125   7.7729   0.0000   0.0000   23.516   10.779  ?   ?       ?      ? 
1 1 1    7   25   17 o   33.751   13.013   8.6299   8.4185   8.6299   8.4185   0.0000   0.0000   33.751   13.013  ?   ?       ?      ? 
1 1 1    7   25   18 o   19.206   9.3080  -9.7209   7.5057  -9.7209   7.5057   0.0000   0.0000   19.206   9.3080  ?   ?       ?      ? 
1 1 1    7   25   19 f   31.800   12.615   7.1077   8.1011   7.1077   8.1011   0.0000   0.0000   31.800   12.615  ?   ?       ?      ? 
1 1 1    7   25   20 o   27.934   12.006   2.9836   8.1883   2.9836   8.1883   0.0000   0.0000   27.934   12.006  ?   ?       ?      ? 
1 1 1    7   25   21 o   38.690   13.217   13.243   8.3223   13.243   8.3223   0.0000   0.0000   38.690   13.217  ?   ?       ?      ? 
1 1 1    7   25   22 o   27.481   11.909   2.6400   8.1900   2.6400   8.1900   0.0000   0.0000   27.481   11.909  ?   ?       ?      ? 
1 1 1    7   25   23 o   33.288   12.938   8.8406   8.3732   8.8406   8.3732   0.0000   0.0000   33.288   12.938  ?   ?       ?      ? 
1 1 1    7   25   24 o   23.453   10.825  -2.5403   8.0312  -2.5403   8.0312   0.0000   0.0000   23.453   10.825  ?   ?       ?      ? 
1 1 1    7   26    0 o   39.997   11.105   15.735   8.9562   19.215   12.318   11.831   13.046   43.094   15.932   36.899   15.475 6.194489 22.21056 
1 1 1    7   26    1 o   28.319   9.2513  -1.1792   8.3527   0.7702   11.418  -3.4234   12.251   28.999   13.205   27.639   12.961 1.359806 18.50264 
1 1 1    8    0    0 o   68.812   5.3870   32.673   4.9526   32.673   4.9526   0.0000   0.0000   68.812   5.3870   68.812   5.3870 -0.000000 0.000000 
1 1 1    8    0    2 o   99.293   5.1294   67.882   6.8167   68.559   9.6220   67.201   9.6587   99.809   7.2000   98.777   7.3076 -0.000000 0.000000 
1 1 1    8    0    3 o  488.318   8.6943  1619.22   57.443  1591.81   80.472  1647.70   82.025  484.098   12.285  492.537   12.307 -0.000000 0.000000 
1 1 1    8    0    4 o  784.590   12.809  4182.69  136.019  4170.23  191.938  4195.27  192.784  783.415   18.101  785.765   18.127 -0.000000 0.000000 
1 1 1    8    0    5 o  126.249   5.0825  109.096   8.6212  115.399   12.251  102.912   12.134  129.928   7.0045  122.569   7.3665 -0.000000 0.000000 
1 1 1    8    0    6 o  1202.43   18.975  9838.22  308.811  9706.17  432.763  9975.21  440.798  1194.21   26.772  1210.65   26.898 -0.000000 0.000000 
1 1 1    8    0    7 o  181.107   5.3318  223.422   13.027  233.510   18.554  213.614   18.294  185.175   7.4208  177.040   7.6580 -0.000000 0.000000 
1 1 1    8    0    8 o  152.418   5.1620  158.525   10.606  157.966   14.944  159.092   15.055  152.148   7.2861  152.689   7.3143 -0.000000 0.000000 
1 1 1    8    0    9 o  729.258   12.018  3612.47  118.584  3708.14  170.356  3522.54  165.170  738.629   17.040  719.888   16.952 -0.000000 0.000000 
1 1 1    8    0   10 o  1288.95   20.306 11326.87  354.289 11326.05  501.001 11327.69  501.078  1288.90   28.716  1289.00   28.718 -0.000000 0.000000 
1 1 1    8    0   11 o  548.824   9.5057  2045.02   70.568  1984.52   98.017  2110.13  101.681  540.393   13.403  557.254   13.483 -0.000000 0.000000 
1 1 1    8    0   12 f  289.361   8.9352  569.250   34.961   0.0000   0.0000  569.250   34.961  289.361   8.9352  289.361   8.9352 -0.000000 0.000000 
1 1 1    8    0   13 o  1009.79   22.817  6945.52  311.873   0.0000   0.0000  6945.52  311.873  1009.79   22.817  1009.79   22.817 -0.000000 0.000000 
1 1 1    8    0   15 o  180.083   7.5074  220.974   18.248  220.974   18.248   0.0000   0.0000  180.083   7.5074  180.083   7.5074 -0.000000 0.000000 
1 1 1    8    0   16 o  287.690   6.2971  562.215   24.479  593.042   35.175  533.265   34.087  295.363   8.8058  280.017   9.0041 -0.000000 0.000000 
1 1 1    8    0   17 o  239.487   5.8295  390.058   18.865  381.909   26.391  398.573   26.976  236.921   8.2426  242.053   8.2458 -0.000000 0.000000 
1 1 1    8    0   18 o  865.078   14.005  5090.86  163.938  5209.31  235.193  4978.93  228.634  874.864   19.861  855.291   19.750 -0.000000 0.000000 
1 1 1    8    0   19 o  412.146   7.7449  1153.83   43.178  1127.15   60.323  1181.86   61.831  407.253   10.948  417.040   10.958 -0.000000 0.000000 
1 1 1    8    0   20 o  113.429   7.3865   88.311   11.243   88.311   11.243   0.0000   0.0000  113.429   7.3865  113.429   7.3865 -0.000000 0.000000 
1 1 1    8    0   21 o  1481.89   32.873 14995.04  659.417 14995.04  659.417   0.0000   0.0000  1481.89   32.873  1481.89   32.873 -0.000000 0.000000 
1 1 1    8    0   22 o  1067.77   16.999  7740.71  245.348  8144.60  358.673  7385.54  336.349  1093.88   24.223  1041.66   23.856 -0.000000 0.000000 
1 1 1    8    0   23 o  227.434   5.8070  351.964   17.843  357.538   25.282  346.432   25.186  229.241   8.1618  225.627   8.2626 -0.000000 0.000000 
1 1 1    8    0   24 o  388.638   7.5056  1021.80   39.375  1111.51   57.839  944.309   53.756  404.508   10.568  372.768   10.661 -0.000000 0.000000 
1 1 1    8    0   25 o  272.676   6.2513  504.658   23.020  475.246   31.861  536.782   33.298  264.344   8.9173  281.008   8.7634 -0.000000 0.000000 
1 1 1    8    0   26 o  516.630   9.1174  1812.40   63.728  1776.02   89.044  1850.61   91.247  511.309   12.869  521.951   12.918 -0.000000 0.000000 
1 1 1    8    0   27 o  1003.51   16.038  6843.05  217.754  6664.66  302.608  7034.63  313.587  989.947   22.584  1017.06   22.778 -0.000000 0.000000 
1 1 1    8    0   28 o  754.672   12.429  3859.55  126.770  3669.67  173.666  4076.14  185.477  734.839   17.462  774.505   17.693 -0.000000 0.000000 
1 1 1    8    0   29 o  181.664   5.6425  224.904   13.828  220.698   19.380  229.266   19.737  179.923   7.9841  183.404   7.9754 -0.000000 0.000000 
1 1 1    8    0   30 o  944.520   15.181  6059.48  193.968  6267.75  280.362  5868.27  268.638  960.077   21.574  928.963   21.365 -0.000000 0.000000 
1 1 1    8    0   31 f  361.751   7.2259  889.023   35.355  905.361   50.453  873.261   49.557  365.023   10.218  358.478   10.220 -0.000000 0.000000 
1 1 1    8    0   32 o  1282.24   28.585 11201.43  496.139   0.0000   0.0000 11201.43  496.139  1282.24   28.585  1282.24   28.585 -0.000000 0.000000 
1 1 1    8    0   33 o  688.656   16.269  3223.20  151.633   0.0000   0.0000  3223.20  151.633  688.656   16.269  688.656   16.269 -0.000000 0.000000 
1 1 1    8    0   34 o  524.865   9.2810  1869.62   65.879  1798.96   91.323  1946.30   95.127  514.519   13.117  535.212   13.134 -0.000000 0.000000 
1 1 1    8    0   35 o  778.888   12.802  4121.25  134.887  4255.88  194.708  3997.01  187.041  791.115   18.184  766.662   18.026 -0.000000 0.000000 
1 1 1    8    0   37 o  357.955   7.2683  870.765   35.187  885.554   50.204  856.485   49.332  360.948   10.283  354.961   10.275 -0.000000 0.000000 
1 1 1    8    0   38 o  529.225   13.272  1903.78   95.049  1903.78   95.049   0.0000   0.0000  529.225   13.272  529.225   13.272 -0.000000 0.000000 
1 1 1    8    0   39 o  649.789   15.578  2871.39  136.993  2871.39  136.993   0.0000   0.0000  649.789   15.578  649.789   15.578 -0.000000 0.000000 
1 1 1    8    0   41 o  606.695   10.435  2492.35   85.479  2328.52  116.240  2685.28  126.137  585.057   14.682  628.334   14.833 -0.000000 0.000000 
1 1 1    8    0   42 o  661.819   11.196  2975.85  100.192  2853.82  138.266  3110.77  145.389  647.543   15.778  676.094   15.888 -0.000000 0.000000 
1 1 1    8    0   43 o  203.040   6.0105  281.177   16.457  267.448   23.251  294.960   23.296  198.015   8.7031  208.064   8.2921 -0.000000 0.000000 
1 1 1    8    0   44 o  763.951   12.656  3972.74  130.772  3834.87  181.078  4123.03  189.060  750.107   17.837  777.794   17.959 -0.000000 0.000000 
1 1 1    8    0   45 o  674.808   11.398  3102.29  104.095  3090.83  147.049  3113.80  147.377  673.554   16.131  676.063   16.107 -0.000000 0.000000 
1 1 1    8    0   46 o  394.945   7.7679  1057.81   41.432  1131.09   60.686  993.840   56.704  407.740   11.001  382.150   10.970 -0.000000 0.000000 
1 1 1    8    0   47 o  327.344   7.0295  729.315   31.115  726.648   44.241  731.927   43.769  326.740   10.013  327.949   9.8689 -0.000000 0.000000 
1 1 1    8    0   50 o  421.862   11.425  1211.88   65.205   0.0000   0.0000  1211.88   65.205  421.862   11.425  421.862   11.425 -0.000000 0.000000 
1 1 1    8    0   51 o  505.288   9.1724  1731.76   62.563  1604.70   85.146  1880.85   92.232  485.201   12.971  525.375   12.973 -0.000000 0.000000 
1 1 1    8    0   52 o   44.569   11.823   18.048   6.6521   20.173   9.9865   16.354   8.9187   47.313   17.016   41.826   16.419 -0.000000 0.000000 
1 1 1    8    0   53 o  337.366   7.1959  775.105   32.824  788.206   46.994  762.626   45.866  340.149   10.216  334.583   10.137 -0.000000 0.000000 
1 1 1    8    0   54 o  225.994   6.3037  348.522   19.231  343.794   27.424  353.097   26.975  224.455   9.0495  227.533   8.7782 -0.000000 0.000000 
1 1 1    8    0   55 o  302.201   9.8293  622.510   40.157  622.510   40.157   0.0000   0.0000  302.201   9.8293  302.201   9.8293 -0.000000 0.000000 
1 1 1    8    0   56 o  492.717   12.845  1656.73   85.631  1656.73   85.631   0.0000   0.0000  492.717   12.845  492.717   12.845 -0.000000 0.000000 
1 1 1    8    0   57 o  263.521   6.6108  471.882   23.492  513.874   34.371  435.069   32.181  274.539   9.2625  252.503   9.4348 -0.000000 0.000000 
1 1 1    8    0   58 o   62.681   10.519   30.769   7.7282   44.852   11.738   19.992   10.268   78.680   11.789   46.683   17.424 -0.000000 0.000000 
1 1 1    8    0   59 o  185.784   6.3356  236.410   15.814  213.476   22.199  260.038   22.533  176.485   9.3419  195.083   8.5609 -0.000000 0.000000 
1 1 1    8    0   60 o  124.432   6.8825  107.757   11.367   96.872   16.298  118.068   15.862  117.987   10.378  130.876   9.0426 -0.000000 0.000000 
1 1 1    8    0   61 o  125.860   7.1281  108.007   11.766  138.205   17.843   84.771   15.651  141.648   9.3901  110.071   10.727 -0.000000 0.000000 
1 1 1    8    0   63 o  366.222   7.6586  915.090   37.910  872.356   52.860  960.350   54.399  357.374   10.938  375.069   10.723 -0.000000 0.000000 
1 1 1    8    0   64 o   45.042   12.845   19.533   7.8596   16.039   11.660   22.444   10.640   39.882   18.943   50.201   17.354 -0.000000 0.000000 
1 1 1    8    0   65 o   63.317   15.635   31.903   11.614   0.0000   0.0000   31.903   11.614   63.317   15.635   63.317   15.635 -0.000000 0.000000 
1 1 1    8    0   66 o   84.320   11.944   51.325   12.858   0.0000   0.0000   51.325   12.858   84.320   11.944   84.320   11.944 -0.000000 0.000000 
1 1 1    8    0   67 o   44.244   12.913   19.090   8.1784   13.330   11.986   24.108   11.187   36.322   18.831   52.166   17.675 -0.000000 0.000000 
1 1 1    8    0   68 o  176.659   6.6046  213.807   15.681  232.256   22.823  197.311   21.581  183.950   9.2082  169.368   9.4707 -0.000000 0.000000 
1 1 1    8    0   69 o  383.314   7.9279  1005.78   41.064  950.070   56.960  1066.07   59.254  372.208   11.316  394.420   11.106 -0.000000 0.000000 
1 1 1    8    0   70 o   86.353   12.792   54.338   14.004   54.338   14.004   0.0000   0.0000   86.353   12.792   86.353   12.792 -0.000000 0.000000 
1 1 1    8    0   71 o  305.667   10.227  641.220   42.257  641.220   42.257   0.0000   0.0000  305.667   10.227  305.667   10.227 -0.000000 0.000000 
1 1 1    8    0   72 o  181.485   6.6651  227.019   16.275  226.005   23.499  227.954   22.563  181.021   9.6420  181.948   9.2047 -0.000000 0.000000 
1 1 1    8    0   73 f  137.046   7.1857  129.217   12.935  165.152   19.417  100.547   17.344  154.521   9.3514  119.570   10.913 -0.000000 0.000000 
1 1 1    8    0   74 o   32.352   11.130   6.7587   7.2860   19.909   10.762  -4.3689   9.8998   45.489   18.081   19.216   12.985 -0.000000 0.000000 
1 1 1    8    0   75 o   65.474   10.973   34.217   8.4239   42.846   12.432   26.893   11.454   75.421   13.434   55.528   17.354 -0.000000 0.000000 
1 1 1    8    0   76 o  153.755   6.7653  164.769   13.902  146.905   19.607  182.830   19.714  145.042   10.088  162.469   9.0178 -0.000000 0.000000 
1 1 1    8    0   77 o  149.139   6.8598  155.927   13.618  135.620   19.322  175.971   19.197  139.011   10.390  159.267   8.9593 -0.000000 0.000000 
1 1 1    8    0   78 o   37.299   11.378   13.388   7.5006   1.9612   11.191   22.708   10.107   24.340   15.482   50.257   16.677 -0.000000 0.000000 
1 1 1    8    0   79 o   49.354   13.010   23.615   8.1880   21.270   12.703   25.282   10.710   45.271   19.841   53.437   16.833 -0.000000 0.000000 
1 1 1    8    0   80 o   24.388   14.914   4.1478   9.3874   0.0000   0.0000   4.1478   9.3874   24.388   14.914   24.388   14.914 -0.000000 0.000000 
1 1 1    8    0   81 o   23.057   14.725   1.6847   10.248   0.0000   0.0000   1.6847   10.248   23.057   14.725   23.057   14.725 -0.000000 0.000000 
1 1 1    8    0   82 o   39.797   18.936   17.246   11.657   17.246   11.657   0.0000   0.0000   39.797   18.936   39.797   18.936 -0.000000 0.000000 
1 1 1    8    0   83 o   22.048   10.099   0.5794   7.0857   1.8098   10.606  -0.4124   9.5224   23.338   14.934   20.757   13.599 -0.000000 0.000000 
1 1 1    8    0   84 o  111.705   11.078   90.426   16.391   90.426   16.391   0.0000   0.0000  111.705   11.078  111.705   11.078 -0.000000 0.000000 
1 1 1    8    0   85 o   89.109   9.9471   61.396   10.551   46.394   14.693   77.366   15.160   75.311   16.436  102.908   11.208 -0.000000 0.000000 
1 1 1    8    0   86 o   39.415   11.634   14.642   8.3613   0.0693   12.032   28.252   11.628   23.272   15.260   55.558   17.564 -0.000000 0.000000 
1 1 1    8    0   87 o   55.751   13.407   29.703   9.0719   30.694   13.166   28.807   12.517   56.644   19.165   54.859   18.753 -0.000000 0.000000 
1 1 1    8    0   88 o   92.811   9.7490   66.775   10.862   50.546   15.174   83.833   15.556   78.673   16.099  106.948   11.000 -0.000000 0.000000 
1 1 1    8    0   89 o   68.433   12.114   40.504   9.7139   38.247   13.904   42.657   13.577   65.363   18.147   71.503   16.052 -0.000000 0.000000 
1 1 1    8    0   90 o   47.538   12.767   23.061   9.0654   36.252   13.302   11.621   12.388   63.272   17.912   31.803   18.198 -0.000000 0.000000 
1 1 1    8    0   91 o   27.972   12.000   7.6925   8.4941   5.8737   12.156   9.4277   11.873   26.567   16.573   29.377   17.358 -0.000000 0.000000 
1 1 1    8    0   92 o   45.095   20.165   23.876   13.112   0.0000   0.0000   23.876   13.112   45.095   20.165   45.095   20.165 -0.000000 0.000000 
1 1 1    8    0   93 o  113.717   12.285   99.306   18.372   0.0000   0.0000   99.306   18.372  113.717   12.285  113.717   12.285 -0.000000 0.000000 
1 1 1    8    0   94 o   28.823   17.356   9.8003   12.303   0.0000   0.0000   9.8003   12.303   28.823   17.356   28.823   17.356 -0.000000 0.000000 
1 1 1    8    1    0 o  1447.20   15.996 14238.15  313.676 14075.33  440.073 14406.29  447.222  1438.80   22.571  1455.59   22.673 -16.79443 31.99176 
1 1 1    8    1    1 o  839.740   11.105  4773.05  109.147  4812.36  219.546  4760.14  125.794  841.667   19.249  837.813   11.080 3.854065 22.20982 
1 1 1    8    1    2 o  171.762   4.5404  195.402   9.9314  213.127   17.662  187.206   12.010  177.320   7.3503  166.203   5.3323 11.11703 9.080760 
1 1 1    8    1    3 o  497.829   6.2290  1679.79   42.017  1650.01   58.882  1710.69   59.976  493.335   8.8076  502.323   8.8106 -8.988678 12.45797 
1 1 1    8    1    4 o  1274.52   14.163 11040.18  244.608 11104.76  347.466 10976.73  344.412  1278.21   20.060  1270.83   19.999 7.377930 28.32590 
1 1 1    8    1    5 o  471.141   7.3150  1514.42   44.213  1476.90   75.453  1534.04   54.561  466.602   11.933  475.680   8.4642 -9.078217 14.63002 
1 1 1    8    1    6 o  1327.16   18.046 11954.09  304.904 12139.05  533.556 11864.40  371.548  1333.51   29.526  1320.82   20.758 12.68494 36.09262 
1 1 1    8    1    7 o  977.175   13.516  6512.60  169.196  6427.24  290.414  6556.46  208.176  971.769   22.053  982.582   15.634 -10.81317 27.03287 
1 1 1    8    1    8 o  132.289   6.9824  118.635   12.517  118.635   12.517   0.0000   0.0000  132.289   6.9824  ?   ?       ?      ? 
1 1 1    8    1    9 o  1098.90   17.465  8236.75  260.082  8185.51  366.239  8288.88  369.403  1095.46   24.671  1102.34   24.729 -6.877930 34.93095 
1 1 1    8    1   10 o  648.791   9.4352  2884.23   78.673  2774.78  133.256  2942.79   97.474  639.028   15.388  658.554   10.922 -19.52661 18.87033 
1 1 1    8    1   11 o  421.557   5.5232  1205.04   31.552  1211.28   44.740  1198.86   44.503  422.643   7.8115  420.471   7.8104 2.172058 11.04634 
1 1 1    8    1   12 o  394.737   5.2897  1056.38   28.293  1038.74   39.697  1074.59   40.335  391.388   7.4845  398.086   7.4769 -6.697937 10.57932 
1 1 1    8    1   13 o  276.917   4.3518  519.696   16.327  506.419   22.870  533.496   23.317  273.310   6.1750  280.523   6.1336 -7.212494 8.703530 
1 1 1    8    1   14 o  411.223   5.4402  1146.84   30.316  1148.05   42.878  1145.65   42.868  411.438   7.6904  411.007   7.6967 0.4307556 10.88033 
1 1 1    8    1   15 o  369.687   5.0850  926.721   25.474  919.279   35.851  934.310   36.202  368.188   7.1854  371.186   7.1972 -2.997498 10.17002 
1 1 1    8    1   16 o  555.188   9.5750  2091.52   72.038  2091.52   72.038   0.0000   0.0000  555.188   9.5750  ?   ?       ?      ? 
1 1 1    8    1   17 o  296.343   6.3752  595.406   25.602  595.406   25.602   0.0000   0.0000  296.343   6.3752  ?   ?       ?      ? 
1 1 1    8    1   18 o  267.134   5.3067  491.807   18.211  458.393   30.607  510.120   22.659  259.958   8.6883  274.310   6.0956 -14.35223 10.61337 
1 1 1    8    1   19 f  984.157   15.753  6606.60  210.083  6567.89  295.968  6645.90  298.248  981.258   22.258  987.057   22.297 -5.798767 31.50513 
1 1 1    8    1   20 o  904.228   10.305  5542.86  126.126  5314.02  173.300  5800.58  183.911  884.445   14.459  924.011   14.687 -39.56622 20.61048 
1 1 1    8    1   21 o  763.162   8.8380  3952.90   91.397  3919.51  128.476  3987.10  130.048  759.903   12.476  766.421   12.521 -6.518616 17.67599 
1 1 1    8    1   22 o  556.237   6.8101  2092.22   51.256  2221.45   74.971  1978.81   70.234  572.315   9.6667  540.159   9.5950 32.15576 13.62017 
1 1 1    8    1   23 o  650.795   9.4874  2890.61   79.219  2824.46  135.214  2925.19   97.753  644.911   15.472  656.679   10.985 -11.76703 18.97482 
1 1 1    8    1   24 o  484.313   6.1314  1590.35   40.241  1597.70   56.980  1583.04   56.838  485.429   8.6619  483.196   8.6802 2.232941 12.26275 
1 1 1    8    1   25 o  262.846   6.1202  468.268   21.800  468.268   21.800   0.0000   0.0000  262.846   6.1202  ?   ?       ?      ? 
1 1 1    8    1   26 o  861.002   9.8447  5029.49  114.844  4940.50  160.561  5122.71  164.334  853.209   13.887  868.794   13.958 -15.58423 19.68936 
1 1 1    8    1   27 o  751.345   8.7199  3829.75   88.783  3853.11  126.004  3806.72  125.116  753.621   12.338  749.070   12.326 4.550415 17.43985 
1 1 1    8    1   28 o  885.118   10.096  5316.66  121.092  5254.77  169.984  5380.43  172.546  879.891   14.256  890.345   14.301 -10.45361 20.19277 
1 1 1    8    1   29 o  574.688   6.9992  2239.49   54.506  2262.15   77.487  2217.30   76.687  577.565   9.9002  571.811   9.8966 5.753540 13.99846 
1 1 1    8    1   30 o  210.132   4.9712  299.230   13.373  299.572   23.075  299.057   16.410  210.207   8.1003  210.057   5.7649 0.1503601 9.942310 
1 1 1    8    1   31 o  618.635   7.4402  2591.37   62.318  2708.85   90.438  2485.16   85.993  631.960   10.560  605.309   10.483 26.65106 14.88031 
1 1 1    8    1   32 o  557.907   6.8442  2110.71   51.742  2137.54   73.663  2084.58   72.695  561.406   9.6825  554.409   9.6759 6.997559 13.68848 
1 1 1    8    1   33 o  342.531   4.9699  795.365   23.069  801.828   32.723  788.980   32.526  343.914   7.0214  341.147   7.0356 2.766937 9.939844 
1 1 1    8    1   34 o  509.332   7.8529  1757.32   51.047  1751.61   62.407  1768.86   88.736  508.204   9.0618  510.460   12.828 -2.255798 15.70580 
1 1 1    8    1   35 o  776.338   11.083  4149.70  110.995  4279.88  138.518  3916.15  185.533  793.954   12.874  758.721   18.045 35.23297 22.16689 
1 1 1    8    1   36 o  1057.86   14.628  7652.07  198.195  7707.42  243.876  7544.40  340.133  1064.51   16.906  1051.21   23.877 13.30359 29.25592 
1 1 1    8    1   37 o  285.095   5.6261  548.044   20.437  542.032   24.897  560.463   35.784  282.753   6.4975  287.436   9.1867 -4.682404 11.25227 
1 1 1    8    1   38 o  408.905   5.5479  1133.96   30.742  1139.03   43.527  1128.92   43.425  409.817   7.8376  407.994   7.8542 1.823181 11.09576 
1 1 1    8    1   39 o  264.978   4.4983  476.061   16.152  476.252   22.829  475.870   22.856  265.032   6.3564  264.925   6.3665 0.1066284 8.996507 
1 1 1    8    1   40 o  334.815   6.1874  778.582   26.626  700.992   44.247  822.628   33.338  321.348   10.161  348.281   7.0636 -26.93280 12.37486 
1 1 1    8    1   41 o  192.209   8.4514  250.678   22.013  250.678   22.013   0.0000   0.0000  192.209   8.4514  ?   ?       ?      ? 
1 1 1    8    1   42 o  452.940   5.9436  1392.16   36.481  1380.99   51.392  1403.51   51.793  451.108   8.4068  454.772   8.4041 -3.664337 11.88714 
1 1 1    8    1   43 o  395.376   7.7146  1060.72   41.334  1060.72   41.334   0.0000   0.0000  395.376   7.7146  ?   ?       ?      ? 
1 1 1    8    1   44 o  338.063   7.0975  775.414   32.515  775.414   32.515   0.0000   0.0000  338.063   7.0975  ?   ?       ?      ? 
1 1 1    8    1   45 f  341.031   5.0383  789.107   23.282  777.422   32.732  801.073   33.124  338.475   7.1361  343.587   7.1143 -5.111694 10.07651 
1 1 1    8    1   46 o  511.103   6.4772  1774.10   44.853  1812.54   64.175  1737.38   62.715  516.513   9.1686  505.692   9.1517 10.82062 12.95437 
1 1 1    8    1   47 o  127.589   4.2890  110.436   7.4136  114.142   10.538  106.805   10.432  129.710   5.9950  125.468   6.1354 4.241730 8.578074 
1 1 1    8    1   48 o  289.419   5.7277  567.806   21.239  572.509   36.645  565.428   26.062  290.204   9.3182  288.634   6.6632 1.569733 11.45544 
1 1 1    8    1   49 o  152.210   4.2491  157.223   8.7635  159.212   12.365  155.216   12.422  153.179   5.9570  151.241   6.0608 1.938461 8.498166 
1 1 1    8    1   50 o  375.056   5.3401  955.455   27.141  951.341   38.270  959.618   38.497  374.245   7.5461  375.867   7.5580 -1.622955 10.68022 
1 1 1    8    1   51 o  289.243   5.7692  566.015   21.309  560.914   26.032  576.376   37.099  287.423   6.6834  291.063   9.4058 -3.639587 11.53846 
1 1 1    8    1   52 o  661.286   9.7711  2996.76   82.626  3008.64  101.439  2973.36  142.431  664.274   11.269  658.299   15.966 5.975403 19.54223 
1 1 1    8    1   53 o  161.842   5.3739  179.952   11.049  183.749   13.534  172.366   19.130  164.518   6.0705  159.166   8.8693 5.352081 10.74785 
1 1 1    8    1   54 o  214.798   5.4474  313.590   14.907  313.457   18.207  313.859   25.962  214.851   6.2535  214.746   8.9213 0.1051331 10.89474 
1 1 1    8    1   55 o  130.359   4.4484  115.507   7.8463  107.845   11.072  123.236   11.121  126.004   6.4843  134.714   6.0916 -8.710899 8.896873 
1 1 1    8    1   56 o  183.792   4.3649  229.429   10.871  228.362   15.372  230.496   15.376  183.364   6.1865  184.221   6.1593 -0.8567047 8.729818 
1 1 1    8    1   57 o  267.574   5.7397  486.598   19.586  489.109   34.075  485.359   23.934  267.892   9.3863  267.255   6.6086 0.6366882 11.47940 
1 1 1    8    1   58 o  125.679   4.5176  107.300   7.6923  110.505   10.968  104.198   10.792  127.527   6.3463  123.830   6.4310 3.697441 9.035116 
1 1 1    8    1   59 o  350.248   7.4189  834.565   35.213  834.565   35.213   0.0000   0.0000  350.248   7.4189  ?   ?       ?      ? 
1 1 1    8    1   60 o  279.975   4.8094  532.604   18.238  556.932   26.167  509.622   25.433  286.196   6.7469  273.755   6.8557 12.44101 9.618769 
1 1 1    8    1   61 o  507.619   6.5794  1757.34   45.248  1799.13   64.849  1717.69   63.165  513.492   9.3194  501.746   9.2899 11.74612 13.15875 
1 1 1    8    1   62 o  144.766   4.6835  142.275   9.1659  156.768   13.246  128.961   12.696  151.842   6.4376  137.690   6.8043 14.15155 9.367053 
1 1 1    8    1   63 o  119.968   4.8862   98.250   7.9164   90.338   11.317  105.832   11.078  115.198   7.2491  124.739   6.5536 -9.541313 9.772407 
1 1 1    8    1   64 o  228.056   5.7015  363.119   16.680  326.501   27.800  383.718   20.851  218.608   9.3840  237.504   6.4784 -18.89560 11.40305 
1 1 1    8    1   65 o  153.027   4.6332  159.350   9.6077  157.939   13.531  160.785   13.645  152.344   6.5540  153.711   6.5506 -1.366806 9.266398 
1 1 1    8    1   66 o  107.706   5.1568   79.065   7.5213   83.057   10.698   75.163   10.576  110.407   7.1504  105.006   7.4326 5.401505 10.31364 
1 1 1    8    1   67 o  246.880   5.7806  417.349   18.285  419.590   22.501  412.991   31.378  248.183   6.6902  245.577   9.4289 2.606140 11.56126 
1 1 1    8    1   68 o  338.947   5.2719  784.151   24.214  792.677   34.341  775.721   34.149  340.786   7.4361  337.108   7.4752 3.677490 10.54389 
1 1 1    8    1   69 o  319.740   6.3125  694.635   25.658  683.054   31.165  719.001   45.204  316.269   7.2715  323.212   10.321 -6.943268 12.62509 
1 1 1    8    1   70 o  165.331   4.6542  186.278   10.402  168.736   14.435  205.223   15.001  157.211   6.7758  173.451   6.3822 -16.23990 9.308299 
1 1 1    8    1   71 o   85.650   5.8994   50.943   6.7209   39.884   9.5069   61.992   9.5027   76.126   9.2156   95.174   7.3679 -19.04819 11.79885 
1 1 1    8    1   72 o  200.093   5.7140  268.181   14.491  294.114   26.011  256.509   17.450  206.503   9.2949  193.684   6.6486 12.81891 11.42803 
1 1 1    8    1   73 o  130.984   4.8952  117.518   8.6862  121.753   12.378  113.409   12.192  133.324   6.8512  128.645   6.9937 4.678665 9.790378 
1 1 1    8    1   74 o  221.842   4.7031  337.275   14.137  344.019   20.089  330.659   19.898  224.052   6.6166  219.632   6.6855 4.419495 9.406150 
1 1 1    8    1   75 o  101.702   5.3513   71.273   7.2889   57.692   10.070   86.216   10.563   91.393   8.1310  112.010   6.9593 -20.61703 10.70256 
1 1 1    8    1   76 o  136.876   4.8044  128.846   8.9078  133.985   12.685  123.846   12.512  139.595   6.7057  134.157   6.8822 5.437744 9.608889 
1 1 1    8    1   77 o   63.340   7.4042   29.218   6.0250   37.598   8.5388   20.908   8.5026   73.506   8.5722   53.175   12.075 20.33102 14.80835 
1 1 1    8    1   78 o   77.604   11.454   43.000   12.045   0.0000   0.0000   43.000   12.045  ?   ?    77.604   11.454      ?      ? 
1 1 1    8    1   79 o   46.587   8.7319   16.364   5.6470   13.790   8.1689   18.720   7.8151   43.079   12.947   50.096   11.720 -7.017067 17.46383 
1 1 1    8    1   80 o   45.974   8.6504   15.868   5.4858   17.559   8.0164   14.378   7.5232   48.212   12.246   43.736   12.221 4.476833 17.30090 
1 1 1    8    1   81 o   69.830   7.8753   32.566   6.9099   21.095   8.5592   54.034   11.709   52.716   12.220   86.943   9.9380 -34.22685 15.75070 
1 1 1    8    1   82 f   80.030   7.2514   41.301   7.4226   31.585   8.8964   63.557   13.465   66.340   9.8959   93.719   10.602 -27.37929 14.50280 
1 1 1    8    1   83 o  106.672   6.4670   77.770   8.8762   70.686   10.772   92.753   15.666  100.110   7.9402  113.233   10.210 -13.12215 12.93392 
1 1 1    8    1   84 o   37.414   9.5976   9.7681   6.1238   8.3833   10.584   10.465   7.5082   37.184   14.520   37.644   12.555 -0.4597244 19.19516 
1 1 1    8    1   85 o   86.706   9.6431   58.868   10.732   43.874   15.065   74.318   15.292   73.235   15.655  100.177   11.265 -26.94181 19.28626 
1 1 1    8    1   86 o   85.747   6.4300   53.532   7.3446   43.149   10.438   63.715   10.337   76.872   10.020   94.622   8.0613 -17.75050 12.85993 
1 1 1    8    1   87 o  101.329   5.7511   73.390   7.8782   79.505   11.202   67.406   11.082  105.706   7.8205   96.953   8.4344 8.752251 11.50212 
1 1 1    8    1   88 o   48.581   9.1523   18.923   6.1403   17.210   8.4703   20.821   8.9140   46.250   12.983   50.912   12.904 -4.662273 18.30465 
1 1 1    8    1   89 o   49.260   9.2177   19.827   6.2618   21.123   8.6478   18.399   9.0788   51.232   12.554   47.287   13.500 3.945068 18.43539 
1 1 1    8    1   90 o   99.881   7.2149   74.036   9.3142   77.880   15.802   71.989   11.530  100.402   11.614   99.359   8.5633 1.043694 14.42979 
1 1 1    8    1   91 o   36.897   9.2404   9.4828   7.1384  -7.1070   12.108   18.322   8.8379   27.220   12.803   46.574   13.328 -19.35343 18.48083 
1 1 1    8    1   92 o   39.285   9.8516   13.185   7.2620   2.8847   12.655   18.243   8.8672   32.584   14.440   45.985   13.406 -13.40094 19.70329 
1 1 1    8    1   93 o   65.045   10.425   38.760   10.351   65.192   15.169   15.725   14.161   88.686   12.622   41.404   16.595 47.28194 20.84900 
1 1 1    8    1   94 o   80.997   14.868   60.115   15.718   60.115   15.718   0.0000   0.0000   80.997   14.868  ?   ?       ?      ? 
1 1 1    8    2    0 o  534.686   8.0928  1943.71   55.258  1924.99   95.555  1953.12   67.733  532.656   13.238  536.716   9.3126 -4.059875 16.18553 
1 1 1    8    2    1 o  958.444   13.296  6234.17  162.561  6263.58  282.703  6219.64  198.697  959.683   21.738  957.205   15.318 2.478210 26.59295 
1 1 1    8    2    2 o  278.753   6.2974  526.659   23.784  515.202   33.300  538.591   33.983  275.659   8.9143  281.847   8.8973 -6.188080 12.59478 
1 1 1    8    2    3 o  543.320   8.1739  1998.86   56.600  2012.88   98.677  1991.98   69.097  544.634   13.370  542.006   9.4075 2.627747 16.34789 
1 1 1    8    2    4 o  523.347   9.1996  1858.38   65.241  1839.96   91.670  1877.29   92.870  520.720   12.991  525.973   13.029 -5.252808 18.39924 
1 1 1    8    2    5 o  852.424   19.537  4941.01  225.680  4941.01  225.680   0.0000   0.0000  852.424   19.537  ?   ?       ?      ? 
1 1 1    8    2    6 o  977.231   13.540  6507.99  169.264  6453.50  291.718  6535.64  207.826  973.542   22.112  980.920   15.634 -7.378235 27.08083 
1 1 1    8    2    7 f  112.804   3.5213   86.240   5.3687   78.124   7.5016   94.762   7.6869  107.363   5.1561  118.246   4.7971 -10.88329 7.042549 
1 1 1    8    2    8 o  233.780   4.0474  370.455   12.822  371.809   18.137  369.103   18.129  234.207   5.7147  233.353   5.7330 0.8542023 8.094791 
1 1 1    8    2    9 o  186.698   3.7782  236.261   9.5589  237.404   13.514  235.117   13.522  187.150   5.3287  186.247   5.3578 0.9036407 7.556499 
1 1 1    8    2   10 o  670.841   7.9076  3054.07   71.883  3088.30  102.259  3020.62  101.067  674.557   11.187  667.125   11.179 7.431580 15.81522 
1 1 1    8    2   11 o  603.261   8.8395  2476.55   68.317  2487.46   84.009  2455.25  117.391  605.448   10.239  601.075   14.412 4.373901 17.67900 
1 1 1    8    2   12 o  603.825   8.8309  2455.10   67.827  2415.96   82.406  2537.30  119.432  596.664   10.192  610.986   14.425 -14.32214 17.66188 
1 1 1    8    2   13 o   90.434   4.2456   55.658   4.9621   56.165   6.1675   54.728   8.3554   91.027   4.9998   89.840   6.8630 1.187546 8.491111 
1 1 1    8    2   14 o  411.312   5.4408  1147.31   30.325  1159.78   43.053  1135.03   42.722  413.531   7.6828  409.094   7.7062 4.437469 10.88168 
1 1 1    8    2   15 o  405.033   7.6082  1112.58   41.760  1112.58   41.760   0.0000   0.0000  405.033   7.6082  ?   ?       ?      ? 
1 1 1    8    2   16 o  322.375   4.7132  703.508   20.573  670.689   28.458  739.439   29.777  314.511   6.6770  330.238   6.6538 -15.72736 9.426323 
1 1 1    8    2   17 o  155.938   3.7143  164.920   7.8408  174.036   11.108  155.869   11.069  160.236   5.1157  151.639   5.3865 8.596725 7.428666 
1 1 1    8    2   18 o  758.854   10.829  3947.25  105.530  4020.47  130.581  3809.39  179.178  769.484   12.523  748.224   17.671 21.25995 21.65866 
1 1 1    8    2   19 o  1215.91   16.675 10137.39  259.933 10245.11  320.467  9930.22  444.407  1226.79   19.277  1205.02   27.215 21.77588 33.35012 
1 1 1    8    2   20 o  466.482   5.9600  1474.98   37.668  1514.49   53.902  1437.27   52.660  472.585   8.4166  460.378   8.4408 12.20691 11.92001 
1 1 1    8    2   21 o  349.741   4.9541  829.215   23.479  836.007   33.241  822.453   33.168  351.171   6.9851  348.311   7.0270 2.859406 9.908107 
1 1 1    8    2   22 o  685.930   11.411  3191.92  106.070   0.0000   0.0000  3191.92  106.070  ?   ?   685.930   11.411      ?      ? 
1 1 1    8    2   23 o  566.717   9.7386  2179.80   74.789  2193.64  106.067  2166.11  105.471  568.507   13.768  564.928   13.777 3.579224 19.47712 
1 1 1    8    2   24 o  1030.86   14.290  7356.49  191.175  7719.85  241.577  6747.63  312.712  1066.11   16.721  995.611   23.178 70.49915 28.57996 
1 1 1    8    2   25 o  474.815   7.4834  1558.62   45.905  1426.46   75.821  1635.10   57.678  458.543   12.202  491.086   8.6669 -32.54282 14.96674 
1 1 1    8    2   26 o  823.344   9.4543  4599.93  105.483  4576.45  148.614  4623.77  149.744  821.228   13.354  825.459   13.387 -4.231689 18.90853 
1 1 1    8    2   27 o  589.753   8.7173  2340.99   65.413  2413.60  115.064  2306.32   79.510  596.330   14.239  583.175   10.061 13.15503 17.43457 
1 1 1    8    2   28 o  619.741   9.1357  2630.35   72.900  2527.05  122.965  2686.34   90.525  610.128   14.872  629.355   10.614 -19.22687 18.27150 
1 1 1    8    2   29 o  869.195   9.9415  5124.99  117.062  5008.90  163.094  5248.35  168.121  859.053   14.010  879.336   14.109 -20.28302 19.88290 
1 1 1    8    2   30 o  783.444   9.0682  4158.74   96.195  4006.78  132.806  4326.46  139.524  768.418   12.754  798.470   12.895 -30.05194 18.13641 
1 1 1    8    2   31 f  392.244   5.3593  1043.06   28.487  1042.56   40.206  1043.56   40.367  392.151   7.5658  392.338   7.5925 -0.1875000 10.71852 
1 1 1    8    2   32 o  919.294   10.462  5737.53  130.307  5649.27  182.284  5829.77  186.347  912.072   14.748  926.516   14.842 -14.44336 20.92333 
1 1 1    8    2   33 o  508.467   9.0672  1753.38   62.477   0.0000   0.0000  1753.38   62.477  ?   ?   508.467   9.0672      ?      ? 
1 1 1    8    2   34 o  438.015   7.1574  1331.81   40.446  1410.44   50.891  1197.00   66.639  456.063   8.2345  419.968   11.709 36.09525 14.31478 
1 1 1    8    2   35 o  443.813   8.2819  1335.79   49.810   0.0000   0.0000  1335.79   49.810  ?   ?   443.813   8.2819      ?      ? 
1 1 1    8    2   36 o  439.782   11.641  1312.90   69.377   0.0000   0.0000  1312.90   69.377  ?   ?   439.782   11.641      ?      ? 
1 1 1    8    2   37 o  474.687   7.5371  1550.16   45.976  1598.20   57.123  1461.79   77.471  485.404   8.6841  463.971   12.322 21.43338 15.07428 
1 1 1    8    2   38 f  226.843   6.1123  348.866   18.789   0.0000   0.0000  348.866   18.789  ?   ?   226.843   6.1123      ?      ? 
1 1 1    8    2   39 o  627.265   7.5579  2671.13   64.243  2659.61   90.514  2682.83   91.196  625.904   10.672  628.626   10.705 -2.722046 15.11575 
1 1 1    8    2   40 o  893.517   10.232  5430.91  123.894  5416.02  174.820  5445.94  175.607  892.290   14.458  894.745   14.483 -2.454712 20.46429 
1 1 1    8    2   41 o  872.746   10.029  5181.58  118.596  5259.94  169.211  5105.91  166.268  879.226   14.202  866.266   14.164 12.95947 20.05744 
1 1 1    8    2   42 o  321.519   6.1034  719.564   25.185  642.706   41.876  763.118   31.523  307.627   10.045  335.412   6.9354 -27.78485 12.20674 
1 1 1    8    2   43 o  363.674   5.2325  896.472   25.774  931.871   37.134  863.568   35.802  370.595   7.3943  356.754   7.4055 13.84079 10.46504 
1 1 1    8    2   44 o  473.004   6.1357  1518.71   39.324  1549.72   56.144  1488.85   55.094  477.743   8.6722  468.265   8.6822 9.477600 12.27144 
1 1 1    8    2   45 o  140.708   5.0220  132.803   9.1369  139.491   15.615  129.320   11.267  143.340   8.0389  138.075   6.0216 5.264633 10.04409 
1 1 1    8    2   46 o  298.040   5.8188  598.894   22.093  615.900   38.741  590.698   26.895  301.041   9.4964  295.038   6.7268 6.003021 11.63754 
1 1 1    8    2   47 o  776.396   9.0865  4108.33   95.597  4149.37  135.988  4068.24  134.413  780.224   12.862  772.568   12.839 7.656738 18.17300 
1 1 1    8    2   48 o  545.885   6.8357  2025.98   50.561  2060.64   72.136  1992.52   70.889  550.471   9.6702  541.298   9.6640 9.173645 13.67135 
1 1 1    8    2   49 o  147.883   4.2957  148.428   8.6071  151.285   12.156  145.557   12.188  149.312   6.0080  146.453   6.1412 2.858795 8.591336 
1 1 1    8    2   50 o  173.005   4.2742  203.088   10.020  199.960   14.047  206.327   14.296  171.649   6.0390  174.360   6.0502 -2.710892 8.548376 
1 1 1    8    2   51 o  375.685   6.6157  966.769   31.752  980.122   39.034  940.652   54.592  379.813   7.5839  371.557   10.842 8.255646 13.23135 
1 1 1    8    2   52 o  336.455   6.2312  765.052   26.635  755.866   32.354  784.368   46.915  333.566   7.1575  339.343   10.202 -5.777100 12.46247 
1 1 1    8    2   53 o  362.495   10.531  895.672   51.732   0.0000   0.0000  895.672   51.732  ?   ?   362.495   10.531      ?      ? 
1 1 1    8    2   55 o  488.086   6.3423  1621.78   41.946  1599.54   58.878  1644.69   59.773  484.691   8.9641  491.482   8.9745 -6.790497 12.68453 
1 1 1    8    2   56 o  101.165   4.8746   69.580   6.6801   67.673   9.4745   71.465   9.4200   99.781   7.0069  102.549   6.7785 -2.768227 9.749116 
1 1 1    8    2   57 o  354.428   5.2593  854.322   25.260  859.490   35.814  849.207   35.633  355.495   7.4342  353.361   7.4412 2.134338 10.51851 
1 1 1    8    2   58 o  179.994   5.5238  222.209   12.589  215.533   22.006  225.456   15.349  177.826   9.1319  182.162   6.2177 -4.335892 11.04766 
1 1 1    8    2   59 o  465.290   7.5958  1471.07   44.958  1504.28   78.900  1455.10   54.709  468.483   12.428  462.097   8.7365 6.385681 15.19150 
1 1 1    8    2   60 o  276.480   4.7908  519.814   17.949  515.871   25.384  523.757   25.384  275.428   6.8010  277.533   6.7493 -2.104675 9.581554 
1 1 1    8    2   61 o  515.824   6.6467  1815.91   46.461  1820.32   65.850  1811.54   65.562  516.444   9.4091  515.205   9.3905 1.239441 13.29332 
1 1 1    8    2   62 o  279.637   5.8719  529.060   20.983  544.754   36.566  521.355   25.621  282.440   9.5536  276.835   6.8296 5.604736 11.74373 
1 1 1    8    2   63 o  410.027   5.7501  1145.90   31.949  1157.32   45.382  1134.69   44.986  412.053   8.1273  408.002   8.1364 4.051514 11.50022 
1 1 1    8    2   64 o  198.444   4.5757  267.937   12.299  278.215   17.449  257.787   17.340  202.239   6.3668  194.648   6.5736 7.590988 9.151434 
1 1 1    8    2   65 o  181.181   4.5662  223.338   11.208  216.109   15.737  230.780   15.966  178.199   6.5169  184.163   6.3976 -5.964325 9.132303 
1 1 1    8    2   66 o  333.912   5.2112  759.525   23.570  791.357   33.820  729.465   32.866  340.722   7.3247  327.103   7.4144 13.61935 10.42234 
1 1 1    8    2   67 o  256.796   5.8591  436.850   19.016  414.193   22.798  488.661   34.475  246.535   6.8239  267.056   9.5262 -20.52194 11.71810 
1 1 1    8    2   68 f  175.052   5.8556  219.592   12.950  242.714   16.207  178.764   21.536  188.746   6.3364  161.359   9.8491 27.38747 11.71130 
1 1 1    8    2   69 o  271.656   5.9126  502.179   20.536  495.808   25.107  515.061   35.699  269.535   6.8737  273.777   9.6223 -4.241699 11.82526 
1 1 1    8    2   70 o  148.839   4.7039  151.237   9.4876  150.438   13.403  152.039   13.432  148.443   6.6629  149.235   6.6417 -0.7915649 9.407819 
1 1 1    8    2   71 o   82.767   6.1746   47.445   6.7288   62.295   9.7554   33.969   9.2933   95.367   7.5486   70.167   9.7735 25.19938 12.34920 
1 1 1    8    2   72 o  132.924   4.8559  120.906   8.7461  122.562   12.472  119.303   12.269  133.817   6.8775  132.030   6.8570 1.787292 9.711790 
1 1 1    8    2   73 o  165.044   5.7439  182.740   12.055  201.266   21.517  174.265   14.553  170.583   9.3082  159.506   6.7327 11.07680 11.48790 
1 1 1    8    2   74 o  226.589   5.7406  351.203   16.726  345.098   20.555  363.171   28.777  224.303   6.7624  228.876   9.2783 -4.572525 11.48113 
1 1 1    8    2   75 o  174.765   5.7307  207.235   12.721  222.108   22.613  200.349   15.386  178.712   9.3373  170.818   6.6468 7.893875 11.46147 
1 1 1    8    2   76 o   83.707   7.3181   50.294   7.7256   45.947   13.316   52.500   9.4852   80.337   12.231   87.077   8.0383 -6.739464 14.63612 
1 1 1    8    2   77 o  124.142   6.2666  111.284   9.7908   96.367   16.679  119.126   12.094  116.829   10.535  131.454   6.7889 -14.62422 12.53319 
1 1 1    8    2   78 o  138.339   4.8567  132.370   9.0859  122.218   12.805  142.663   12.894  132.896   7.1101  143.783   6.6178 -10.88672 9.713358 
1 1 1    8    2   79 o  107.993   7.3067   80.998   10.693   0.0000   0.0000   80.998   10.693  ?   ?   107.993   7.3067      ?      ? 
1 1 1    8    2   80 o   84.199   5.8768   49.812   6.6933   48.686   9.6905   50.840   9.2559   83.186   8.5964   85.211   8.0157 -2.025795 11.75368 
1 1 1    8    2   81 o  103.300   6.4871   73.564   8.5612   69.378   10.373   82.504   15.161   99.528   7.6913  107.071   10.449 -7.543221 12.97424 
1 1 1    8    2   82 o   35.471   9.4225   8.0194   6.1306   10.039   7.4493   3.7807   10.792   37.255   12.505   33.687   14.098 3.568195 18.84510 
1 1 1    8    2   83 o   44.312   8.9305   15.097   5.6917   12.184   7.9812   18.111   8.1191   40.193   12.916   48.431   12.337 -8.238148 17.86094 
1 1 1    8    2   84 o  141.952   5.0207  141.319   9.6504  133.882   13.524  149.034   13.775  138.060   7.2286  145.844   6.9698 -7.784378 10.04145 
1 1 1    8    2   85 o   50.427   8.7339   19.858   6.1226   27.217   8.7826   12.900   8.5399   59.894   11.233   40.961   13.377 18.93311 17.46775 
1 1 1    8    2   86 o   62.516   9.1851   37.064   7.7515   12.062   13.404   49.625   9.5013   41.733   16.328   83.298   8.4171 -41.56517 18.37013 
1 1 1    8    2   87 o   60.517   11.438   28.146   9.0367   0.0000   0.0000   28.146   9.0367  ?   ?    60.517   11.438      ?      ? 
1 1 1    8    2   88 o   76.890   8.6132   44.406   8.2237   41.827   9.9800   49.861   14.515   75.416   9.7652   78.363   14.191 -2.946922 17.22640 
1 1 1    8    2   89 o   29.265   9.0999   0.6923   6.6863   2.0508   11.273  -0.0449   8.3047   31.776   13.869   26.754   11.784 5.021824 18.19982 
1 1 1    8    2   90 o   65.205   9.5794   32.056   7.8753   47.852   13.828   24.474   9.5808   75.986   13.943   54.424   13.140 21.56269 19.15871 
1 1 1    8    2   91 o   75.600   9.6896   51.690   8.7922   34.782   14.788   60.935   10.935   60.463   17.218   90.736   8.8931 -30.27271 19.37924 
1 1 1    8    2   92 o   51.806   10.891   23.893   7.8611   28.217   13.718   21.779   9.5925   53.699   16.898   49.912   13.745 3.786568 21.78254 
1 1 1    8    2   93 o   50.550   10.832   23.712   9.4063   8.1568   13.189   39.818   13.420   35.566   15.261   65.534   15.376 -29.96727 21.66352 
1 1 1    8    2   94 o   57.008   16.774   33.654   13.826   33.654   13.826   0.0000   0.0000   57.008   16.774  ?   ?       ?      ? 
1 1 1    8    3    0 o  661.385   15.727  2970.98  140.957  2970.98  140.957   0.0000   0.0000  661.385   15.727  ?   ?       ?      ? 
1 1 1    8    3    1 o  760.898   17.711  3935.18  182.617  3935.18  182.617   0.0000   0.0000  760.898   17.711  ?   ?       ?      ? 
1 1 1    8    3    2 o  740.836   17.300  3730.31  173.682  3730.31  173.682   0.0000   0.0000  740.836   17.300  ?   ?       ?      ? 
1 1 1    8    3    3 o  1037.00   16.612  7329.87  233.430  7306.67  328.496  7353.54  331.768  1035.36   23.413  1038.64   23.572 -3.273438 33.22322 
1 1 1    8    3    4 o  1039.59   23.486  7368.81  330.861  7368.81  330.861   0.0000   0.0000  1039.59   23.486  ?   ?       ?      ? 
1 1 1    8    3    5 o  435.295   11.434  1285.90   67.444  1285.90   67.444   0.0000   0.0000  435.295   11.434  ?   ?       ?      ? 
1 1 1    8    3    6 o  733.758   17.148  3661.59  170.506  3661.59  170.506   0.0000   0.0000  733.758   17.148  ?   ?       ?      ? 
1 1 1    8    3    7 o  328.799   6.8468  732.959   30.497  714.438   42.474  752.670   43.816  324.515   9.6584  333.083   9.7073 -8.567596 13.69369 
1 1 1    8    3    8 o  432.234   6.9620  1275.20   38.510  1244.25   66.055  1291.14   47.398  428.137   11.385  436.330   8.0161 -8.192810 13.92407 
1 1 1    8    3    9 o  424.060   6.8684  1225.97   37.217  1202.52   64.120  1237.88   45.704  420.888   11.242  427.233   7.8941 -6.344849 13.73688 
1 1 1    8    3   10 o  791.512   9.1300  4255.72   97.929  4253.80  138.374  4257.65  138.612  791.334   12.904  791.690   12.920 -0.3552856 18.26008 
1 1 1    8    3   11 o  200.022   3.8779  270.991   10.506  260.171   14.637  282.490   15.090  195.907   5.5134  204.138   5.4547 -8.231445 7.755787 
1 1 1    8    3   12 o  457.711   5.8726  1420.99   36.424  1413.21   51.280  1428.92   51.746  456.447   8.2905  458.976   8.3196 -2.528503 11.74512 
1 1 1    8    3   13 o  113.784   3.6500   88.060   5.6002   98.051   7.9140   78.039   7.9258  120.273   4.8556  107.295   5.4510 12.97806 7.300063 
1 1 1    8    3   14 o  543.182   6.6689  2000.69   49.074  2058.42   70.400  1946.13   68.443  550.799   9.4318  535.565   9.4305 15.23462 13.33770 
1 1 1    8    3   15 o  181.907   3.8261  223.756   9.4169  207.428   12.990  241.843   13.671  174.929   5.4797  188.885   5.3411 -13.95680 7.652121 
1 1 1    8    3   16 f  555.472   6.7927  2091.40   51.106  2030.02   70.952  2157.57   73.676  547.014   9.5715  563.932   9.6409 -16.91785 13.58531 
1 1 1    8    3   17 o  519.873   6.4524  1833.10   45.455  1820.77   63.926  1845.72   64.648  518.105   9.1049  521.642   9.1453 -3.536438 12.90483 
1 1 1    8    3   18 o  405.344   5.4209  1114.07   29.776  1118.55   42.059  1109.56   42.161  406.162   7.6415  404.526   7.6910 1.636322 10.84176 
1 1 1    8    3   19 o  706.898   8.2793  3390.88   79.311  3385.23  111.931  3396.56  112.396  706.309   11.694  707.487   11.723 -1.178284 16.55869 
1 1 1    8    3   20 o  1006.45   13.932  6873.53  178.629  6841.69  217.944  6938.68  311.785  1003.57   16.026  1009.33   22.795 -5.760803 27.86462 
1 1 1    8    3   21 o  859.713   12.063  5015.13  132.208  5002.79  161.493  5040.22  230.215  858.502   13.881  860.923   19.733 -2.420410 24.12615 
1 1 1    8    3   22 o  614.298   7.3748  2553.04   61.315  2697.17   89.424  2425.15   84.234  630.619   10.464  597.977   10.395 32.64154 14.74968 
1 1 1    8    3   23 o  489.930   7.5679  1631.91   47.573  1615.69   81.479  1640.30   58.598  488.001   12.321  491.859   8.7914 -3.858307 15.13577 
1 1 1    8    3   24 o  576.569   8.6194  2283.26   64.168  2160.78  107.147  2351.75   80.126  564.247   14.013  588.890   10.041 -24.64307 17.23871 
1 1 1    8    3   25 o  462.896   5.9581  1450.73   37.348  1398.70   51.652  1507.73   54.066  454.212   8.3917  471.580   8.4604 -17.36841 11.91628 
1 1 1    8    3   26 o  667.733   9.6957  3032.22   82.894  3006.27  142.622  3045.45  101.866  665.396   15.817  670.069   11.218 -4.672668 19.39146 
1 1 1    8    3   27 o  309.877   6.7034  650.878   28.149   0.0000   0.0000  650.878   28.149  ?   ?   309.877   6.7034      ?      ? 
1 1 1    8    3   28 f  501.207   8.9308  1692.86   60.448  1554.37   81.570  1861.56   90.029  478.627   12.576  523.786   12.684 -45.15939 17.86156 
1 1 1    8    3   29 o  530.295   6.5966  1905.41   47.383  1855.83   65.822  1958.73   68.265  523.143   9.2847  537.447   9.3730 -14.30396 13.19316 
1 1 1    8    3   30 o  890.634   10.191  5384.57  122.981  5320.73  172.351  5450.80  175.537  885.262   14.367  896.006   14.457 -10.74408 20.38149 
1 1 1    8    3   31 o  635.631   15.210  2744.15  131.012   0.0000   0.0000  2744.15  131.012  ?   ?   635.631   15.210      ?      ? 
1 1 1    8    3   32 o  434.968   7.0318  1281.24   39.025  1277.13   47.697  1289.58   67.876  433.992   8.1101  435.943   11.490 -1.951080 14.06357 
1 1 1    8    3   33 o  565.156   9.8011  2166.64   75.063  2166.64   75.063   0.0000   0.0000  565.156   9.8011  ?   ?       ?      ? 
1 1 1    8    3   34 o  575.253   7.0345  2245.04   54.837  2255.01   77.559  2235.07   77.542  576.532   9.9272  573.974   9.9693 2.558228 14.06896 
1 1 1    8    3   35 o  360.289   5.1481  879.947   25.129  907.869   35.828  852.914   35.254  365.915   7.2254  354.664   7.3352 11.25162 10.29619 
1 1 1    8    3   36 o  580.128   7.0952  2282.83   55.768  2243.15   77.929  2324.48   79.841  574.965   10.002  585.291   10.066 -10.32605 14.19036 
1 1 1    8    3   37 o  165.298   5.0828  186.232   10.638  187.977   12.950  182.611   18.657  166.519   5.7387  164.077   8.3909 2.441711 10.16563 
1 1 1    8    3   38 o  424.552   7.0059  1234.64   38.076  1258.83   46.971  1188.28   65.028  430.794   8.0459  418.310   11.471 12.48318 14.01183 
1 1 1    8    3   39 o  338.580   5.0129  777.476   22.999  779.090   32.429  775.842   32.624  338.935   7.0606  338.225   7.1178 0.7097778 10.02572 
1 1 1    8    3   40 o  219.179   4.3009  325.793   12.772  332.740   18.050  318.827   18.075  221.521   6.0128  216.837   6.1512 4.684311 8.601830 
1 1 1    8    3   41 o  383.171   5.3608  995.741   27.830  1024.56   39.751  968.039   38.975  388.608   7.5484  377.733   7.6140 10.87445 10.72157 
1 1 1    8    3   42 o  535.353   6.7002  1946.13   48.606  1968.49   69.058  1924.18   68.426  538.401   9.4651  532.305   9.4859 6.096191 13.40039 
1 1 1    8    3   43 o  487.244   8.8834  1612.07   58.656   0.0000   0.0000  1612.07   58.656  ?   ?   487.244   8.8834      ?      ? 
1 1 1    8    3   44 o  141.127   6.0938  135.101   11.654   0.0000   0.0000  135.101   11.654  ?   ?   141.127   6.0938      ?      ? 
1 1 1    8    3   45 o  784.339   9.1511  4190.08   97.253  4260.06  138.865  4122.71  136.246  790.760   12.959  777.919   12.924 12.84064 18.30214 
1 1 1    8    3   46 o  227.816   4.3935  352.147   13.563  353.880   19.152  350.403   19.211  228.380   6.1884  227.253   6.2381 1.127335 8.786946 
1 1 1    8    3   47 o  197.485   4.3010  264.535   11.508  257.959   16.116  271.378   16.439  194.980   6.0994  199.989   6.0657 -5.008636 8.602008 
1 1 1    8    3   48 o  351.946   5.1728  840.905   24.668  826.625   34.567  855.724   35.213  348.903   7.3110  354.990   7.3198 -6.087036 10.34550 
1 1 1    8    3   49 o  250.982   5.5802  428.583   17.835  429.763   21.792  426.190   31.039  251.624   6.3909  250.341   9.1493 1.282104 11.16033 
1 1 1    8    3   50 o  157.031   5.2695  166.566   10.512  164.824   12.772  170.224   18.507  155.835   6.0480  158.227   8.6310 -2.392761 10.53910 
1 1 1    8    3   51 o  184.407   4.2953  230.803   10.733  226.813   15.086  234.893   15.274  182.792   6.0900  186.021   6.0589 -3.229126 8.590625 
1 1 1    8    3   52 o  279.990   4.7149  532.256   17.887  521.479   25.042  543.480   25.557  277.098   6.6688  282.883   6.6668 -5.785034 9.429758 
1 1 1    8    3   53 o  433.523   5.8633  1278.24   34.444  1293.42   48.956  1263.35   48.470  436.074   8.2844  430.973   8.2994 5.101440 11.72651 
1 1 1    8    3   54 o  330.027   6.1777  734.732   26.001  722.130   31.663  760.827   45.562  325.964   7.1679  334.091   10.064 -8.126648 12.35547 
1 1 1    8    3   55 f  432.517   7.1591  1257.03   39.278  1223.97   47.494  1328.58   69.865  424.111   8.2638  440.922   11.693 -16.81058 14.31815 
1 1 1    8    3   56 o  207.585   6.2611  292.733   17.613  292.733   17.613   0.0000   0.0000  207.585   6.2611  ?   ?       ?      ? 
1 1 1    8    3   57 o  181.108   4.3829  222.428   10.733  244.093   15.517  202.551   14.862  189.561   6.0404  172.656   6.3522 16.90546 8.765699 
1 1 1    8    3   58 o  182.890   4.3925  227.132   10.882  236.370   15.595  218.368   15.191  186.515   6.1701  179.265   6.2533 7.249847 8.784904 
1 1 1    8    3   59 o  129.507   9.6618  114.457   16.956  114.457   16.956   0.0000   0.0000  129.507   9.6618  ?   ?       ?      ? 
1 1 1    8    3   60 o  311.889   7.0788  661.762   29.919   0.0000   0.0000  661.762   29.919  ?   ?   311.889   7.0788      ?      ? 
1 1 1    8    3   61 o  127.613   4.7508  111.133   8.1840  101.025   11.662  120.942   11.488  121.850   7.0625  133.375   6.3561 -11.52472 9.501503 
1 1 1    8    3   62 o  325.810   5.1155  721.559   22.569  759.994   32.583  686.114   31.290  334.147   7.1956  317.474   7.2730 16.67218 10.23104 
1 1 1    8    3   63 o  120.996   7.0076   99.652   11.490   99.652   11.490   0.0000   0.0000  120.996   7.0076  ?   ?       ?      ? 
1 1 1    8    3   64 o  271.648   4.8231  501.987   17.747  523.190   25.438  481.882   24.771  277.241   6.7708  266.054   6.8705 11.18753 9.646135 
1 1 1    8    3   65 o  350.231   6.6294  856.435   29.763  897.216   37.082  782.592   49.899  362.776   7.5429  337.687   10.904 25.08945 13.25887 
1 1 1    8    3   66 o  134.213   4.8898  122.547   8.8805  113.591   12.317  132.242   12.815  129.101   7.0405  139.325   6.7877 -10.22447 9.779624 
1 1 1    8    3   67 o  176.326   4.6421  211.846   11.092  211.325   15.722  212.363   15.650  176.106   6.5882  176.545   6.5416 -0.4392395 9.284170 
1 1 1    8    3   68 o  137.542   4.8076  129.002   8.9586  133.011   12.780  125.128   12.562  139.648   6.7532  135.435   6.8444 4.213562 9.615132 
1 1 1    8    3   69 o  148.075   5.5454  143.523   10.671  128.765   13.073  172.988   18.472  137.308   7.0256  158.841   8.5817 -21.53235 11.09075 
1 1 1    8    3   70 o  181.170   5.6792  228.874   13.251  238.463   16.568  211.846   22.078  186.880   6.5421  175.461   9.2853 11.41913 11.35845 
1 1 1    8    3   71 o  171.996   6.6575  204.384   15.442  180.132   21.678  229.368   22.003  161.456   9.9078  182.535   8.8952 -21.07880 13.31502 
1 1 1    8    3   72 o  140.075   6.1307  140.519   10.740  120.367   18.489  150.781   13.194  131.695   10.360  148.455   6.5582 -16.75998 12.26145 
1 1 1    8    3   73 o   46.777   8.6626   15.790   5.5847   18.890   8.1854   13.091   7.6389   50.897   12.054   42.657   12.445 8.239719 17.32517 
1 1 1    8    3   74 o  134.817   6.1851  124.694   10.338  128.678   19.026  123.025   12.314  135.760   10.342  133.873   6.7879 1.886795 12.37026 
1 1 1    8    3   75 f  134.340   5.9719  123.857   10.136  128.433   18.054  121.751   12.248  135.607   9.8245  133.073   6.7922 2.534531 11.94380 
1 1 1    8    3   76 o  120.454   5.0095  100.065   8.1716   95.297   11.486  104.951   11.628  117.510   7.2132  123.398   6.9535 -5.888153 10.01904 
1 1 1    8    3   77 o  165.725   4.7154  189.252   10.577  176.773   14.763  202.415   15.162  160.055   6.8065  171.395   6.5277 -11.34019 9.430808 
1 1 1    8    3   78 o   45.628   8.6342   15.524   5.4577   17.215   7.8257   13.923   7.6153   47.988   12.051   43.268   12.368 4.720692 17.26831 
1 1 1    8    3   79 o   90.855   6.8534   57.467   7.9546   55.433   9.6815   61.692   13.955   89.055   8.0223   92.655   11.114 -3.599350 13.70687 
1 1 1    8    3   80 o  117.386   5.1705   96.211   8.2098  101.885   11.546   90.407   11.676  121.013   7.0406  113.759   7.5741 7.253868 10.34104 
1 1 1    8    3   81 o   59.849   7.7432   26.732   6.0182   36.052   8.6528   17.998   8.3762   71.278   8.9582   48.420   12.633 22.85766 15.48647 
1 1 1    8    3   82 o   64.091   6.8966   29.513   5.9897   29.364   8.4734   29.663   8.4682   63.918   9.7826   64.264   9.7239 -0.3461342 13.79323 
1 1 1    8    3   83 f   32.587   9.0583   5.6147   6.0005   8.4561   7.5119   0.6048   9.9745   35.047   12.515   30.127   13.099 4.920776 18.11658 
1 1 1    8    3   84 f   72.692   7.9298   38.151   7.5119   35.873   9.3172   42.381   12.698   70.390   9.7676   74.993   12.495 -4.602722 15.85968 
1 1 1    8    3   85 o   56.021   8.0599   23.906   6.0076   18.433   8.4479   29.506   8.5451   48.380   12.718   63.662   9.9050 -15.28205 16.11988 
1 1 1    8    3   86 o  116.342   5.3148   95.802   8.3738   91.109   11.694  100.740   11.996  113.355   7.6129  119.329   7.4184 -5.974426 10.62965 
1 1 1    8    3   87 o   56.026   12.339   24.731   9.1151   0.0000   0.0000   24.731   9.1151  ?   ?    56.026   12.339      ?      ? 
1 1 1    8    3   88 o   41.063   13.361   13.467   8.5226   0.0000   0.0000   13.467   8.5226  ?   ?    41.063   13.361      ?      ? 
1 1 1    8    3   89 o   78.733   8.4013   48.153   8.3477   48.484   13.866   47.965   10.455   76.960   13.802   80.506   9.5829 -3.545738 16.80268 
1 1 1    8    3   90 o   40.204   10.411   11.923   7.1715   18.598   12.187   8.3866   8.8698   45.789   15.976   34.619   13.355 11.16932 20.82299 
1 1 1    8    3   91 o   57.684   11.000   30.827   9.5977   17.147   13.630   44.283   13.517   43.648   16.624   71.720   14.408 -28.07231 21.99936 
1 1 1    8    3   92 o   43.237   11.262   16.935   8.9039   22.786   12.846   11.525   12.352   48.379   16.421   38.094   15.417 10.28547 22.52422 
1 1 1    8    3   93 o   95.113   9.2572   77.031   11.910   72.975   16.871   81.061   16.817   91.937   13.542   98.289   12.626 -6.352142 18.51449 
1 1 1    8    3   94 o   37.396   10.300   8.0941   9.0418  -8.9242   12.782   25.138   12.792   25.994   12.484   48.798   16.387 -22.80428 20.60091 
1 1 1    8    4    0 o  338.727   4.8639  777.901   22.326  783.833   31.612  771.998   31.535  340.016   6.8608  337.439   6.8963 2.577759 9.727765 
1 1 1    8    4    1 o  308.589   5.7772  653.035   22.710  624.336   39.102  667.644   27.898  303.366   9.5115  313.812   6.5602 -10.44589 11.55442 
1 1 1    8    4    2 o  276.724   5.4939  523.347   19.301  507.579   33.580  531.126   23.586  273.545   9.0589  279.902   6.2183 -6.357056 10.98770 
1 1 1    8    4    3 o  326.399   5.9206  726.280   24.604  711.693   42.684  733.538   30.109  323.875   9.7254  328.923   6.7550 -5.047302 11.84118 
1 1 1    8    4    4 o  437.298   8.1679  1298.17   48.401  1311.77   68.690  1284.77   68.212  439.573   11.531  435.022   11.571 4.550873 16.33577 
1 1 1    8    4    5 o  155.310   5.6006  163.629   11.785  166.725   16.606  160.488   16.727  156.793   7.8156  153.828   8.0239 2.964645 11.20123 
1 1 1    8    4    6 o  206.043   5.8156  287.845   16.235  282.371   22.689  293.588   23.240  204.037   8.2060  208.049   8.2429 -4.012100 11.63119 
1 1 1    8    4    7 f  177.852   5.6471  214.581   13.597  227.219   19.335  202.219   19.123  183.037   7.7952  172.666   8.1729 10.37088 11.29429 
1 1 1    8    4    8 f  261.938   6.2337  465.493   22.126  470.262   31.226  460.685   31.355  263.288   8.7520  260.589   8.8792 2.699158 12.46745 
1 1 1    8    4    9 o  454.863   8.3803  1404.84   51.652  1391.05   72.513  1419.04   73.595  452.601   11.823  457.126   11.880 -4.525452 16.76059 
1 1 1    8    4   10 o  124.440   3.6296  104.935   6.1190  103.702   8.5324  106.241   8.7801  123.688   5.0905  125.192   5.1754 -1.504059 7.259297 
1 1 1    8    4   11 o  474.239   6.0341  1525.23   38.774  1503.74   54.316  1547.56   55.368  470.835   8.5129  477.643   8.5540 -6.807800 12.06817 
1 1 1    8    4   12 o  484.043   6.1319  1589.28   40.221  1603.58   57.001  1575.09   56.761  486.214   8.6511  481.872   8.6924 4.341522 12.26373 
1 1 1    8    4   13 o  661.013   7.8221  2965.49   70.065  2994.20   99.535  2937.29   98.646  664.185   11.059  657.842   11.066 6.342529 15.64421 
1 1 1    8    4   14 o  234.738   4.1488  373.056   13.189  357.825   18.289  389.561   19.038  229.752   5.8742  239.724   5.8605 -9.972336 8.297652 
1 1 1    8    4   15 o  169.120   3.8390  193.945   8.7942  197.243   12.319  190.517   12.558  170.588   5.3291  167.652   5.5275 2.935989 7.678027 
1 1 1    8    4   16 o  228.850   4.1171  355.029   12.766  356.947   17.924  353.054   18.187  229.479   5.7638  228.222   5.8805 1.256653 8.234177 
1 1 1    8    4   17 o  855.122   9.7882  4964.61  113.425  4990.92  160.744  4938.52  160.073  857.379   13.835  852.865   13.850 4.514709 19.57637 
1 1 1    8    4   18 o  558.948   6.8395  2116.47   51.775  2049.60   71.725  2189.21   74.813  549.744   9.6279  568.152   9.7169 -18.40881 13.67896 
1 1 1    8    4   19 o  243.196   5.0794  399.169   15.971  406.793   27.113  395.118   19.763  244.950   8.1681  241.443   6.0403 3.506958 10.15888 
1 1 1    8    4   20 o  502.679   7.7364  1731.64   50.190  1654.76   84.120  1774.14   62.542  493.841   12.570  511.517   9.0225 -17.67615 15.47275 
1 1 1    8    4   21 o  792.142   11.260  4260.85  113.799  4260.70  139.200  4261.16  197.603  792.411   12.963  791.873   18.414 0.5378418 22.51949 
1 1 1    8    4   22 o  436.439   5.7438  1289.93   33.951  1248.18   47.060  1335.24   49.029  429.083   8.0933  443.794   8.1524 -14.71103 11.48751 
1 1 1    8    4   23 o  1151.69   12.874  9011.58  200.912  8945.08  282.570  9079.58  285.722  1147.40   18.173  1155.98   18.239 -8.582397 25.74748 
1 1 1    8    4   24 o  389.371   5.3313  1027.65   28.128  1020.83   39.466  1034.69   40.099  388.060   7.5049  390.683   7.5741 -2.623505 10.66258 
1 1 1    8    4   25 o  1566.64   17.310 16714.50  367.493 16789.80  521.109 16640.01  518.330  1570.15   24.491  1563.13   24.470 7.012451 34.62036 
1 1 1    8    4   26 f  679.061   8.0280  3126.02   73.852  3214.45  106.005  3042.62  102.947  688.386   11.364  669.736   11.343 18.65045 16.05596 
1 1 1    8    4   27 o  870.640   14.098  5154.50  166.327  5139.57  234.923  5169.52  235.522  869.375   19.940  871.905   19.933 -2.530151 28.19503 
1 1 1    8    4   28 o  691.531   11.532  3248.27  108.062  3224.07  152.238  3272.85  153.415  688.935   16.307  694.126   16.310 -5.191528 23.06320 
1 1 1    8    4   29 o  367.556   7.2860  915.865   36.291  915.865   36.291   0.0000   0.0000  367.556   7.2860  ?   ?       ?      ? 
1 1 1    8    4   30 o  1037.67   11.695  7315.02  164.418  7201.47  229.911  7433.89  235.224  1029.44   16.481  1045.90   16.596 -16.45923 23.38901 
1 1 1    8    4   31 o  338.576   6.0712  782.763   26.475  759.864   44.756  795.089   32.836  334.695   9.8677  342.458   7.0756 -7.762543 12.14232 
1 1 1    8    4   32 o  633.644   10.733  2728.06   92.160  2716.37  129.762  2739.96  130.912  632.279   15.145  635.009   15.213 -2.730347 21.46616 
1 1 1    8    4   33 o  389.234   6.6535  1045.86   33.296  1088.76   41.508  968.455   55.761  400.702   7.6441  377.767   10.892 22.93518 13.30693 
1 1 1    8    4   34 o  1119.24   12.576  8522.97  190.723  8399.96  266.956  8651.22  272.578  1111.01   17.731  1127.48   17.840 -16.46350 25.15292 
1 1 1    8    4   35 o  569.046   6.9947  2197.21   53.938  2200.11   76.143  2194.30   76.419  569.424   9.8675  568.669   9.9165 0.7558594 13.98949 
1 1 1    8    4   36 o  462.129   6.0253  1447.62   37.718  1408.84   52.460  1489.13   54.269  455.728   8.4946  468.530   8.5474 -12.80280 12.05051 
1 1 1    8    4   37 o  293.151   4.6834  582.707   18.604  581.184   26.117  584.277   26.507  292.764   6.5829  293.539   6.6637 -0.7751770 9.366896 
1 1 1    8    4   38 o  574.829   8.6576  2232.16   63.203  2208.12   76.769  2282.71  111.345  570.334   9.9328  579.325   14.183 -8.990601 17.31526 
1 1 1    8    4   39 o  741.325   10.666  3726.04  100.575  3697.24  122.448  3785.74  176.325  737.537   12.251  745.113   17.463 -7.576355 21.33167 
1 1 1    8    4   40 o  310.253   5.9307  661.728   23.682  625.546   39.801  681.560   29.467  303.520   9.6765  316.987   6.8597 -13.46689 11.86131 
1 1 1    8    4   41 o  252.403   5.4713  435.443   17.746  422.327   30.133  442.408   21.958  249.410   8.9155  255.397   6.3446 -5.986725 10.94257 
1 1 1    8    4   42 o  379.345   5.3562  975.575   27.518  1022.05   39.593  932.149   38.273  388.079   7.5287  370.611   7.6206 17.46750 10.71237 
1 1 1    8    4   43 o  129.040   4.3222  112.865   7.5549  108.772   10.530  117.207   10.846  126.630   6.1363  131.449   6.0885 -4.819489 8.644339 
1 1 1    8    4   44 f  423.181   7.0673  1235.49   38.517  1157.28   64.468  1278.91   48.031  412.382   11.536  433.980   8.1672 -21.59805 14.13459 
1 1 1    8    4   45 o  303.589   5.8519  608.409   22.557  675.907   40.497  578.047   27.161  315.339   9.4768  291.838   6.8679 23.50037 11.70377 
1 1 1    8    4   46 o  326.609   4.9988  724.063   22.122  718.155   31.000  730.193   31.578  325.254   7.0333  327.963   7.1052 -2.708282 9.997570 
1 1 1    8    4   47 o  429.281   7.1270  1265.39   39.223  1290.66   48.470  1217.44   66.761  435.846   8.2065  422.715   11.654 13.13162 14.25391 
1 1 1    8    4   48 o  335.984   5.0719  766.539   23.091  779.517   32.785  753.765   32.527  338.809   7.1407  333.159   7.2046 5.649994 10.14381 
1 1 1    8    4   49 o  163.068   4.3130  180.342   9.5226  170.006   13.282  191.274   13.660  158.259   6.1933  167.876   6.0044 -9.616714 8.626062 
1 1 1    8    4   50 o  189.096   4.3298  242.717   11.089  253.724   15.779  231.975   15.587  193.337   6.0226  184.854   6.2222 8.483093 8.659553 
1 1 1    8    4   51 o  164.537   6.1631  183.801   13.742   0.0000   0.0000  183.801   13.742  ?   ?   164.537   6.1631      ?      ? 
1 1 1    8    4   52 o  340.617   5.1297  788.406   23.677  796.731   33.551  780.148   33.419  342.411   7.2306  338.822   7.2784 3.588684 10.25943 
1 1 1    8    4   53 o  483.060   6.3064  1588.43   41.281  1579.77   58.100  1597.27   58.664  481.734   8.8999  484.386   8.9371 -2.651672 12.61274 
1 1 1    8    4   54 o  143.195   4.4641  139.250   8.6615  136.724   12.154  141.857   12.347  141.875   6.3215  144.515   6.3048 -2.639847 8.928149 
1 1 1    8    4   55 o  366.029   6.5308  903.480   30.407  886.120   36.921  940.079   53.608  360.959   7.5480  371.099   10.660 -10.13995 13.06167 
1 1 1    8    4   56 o  215.057   5.4920  314.944   15.101  315.482   18.522  313.876   26.083  215.480   6.3429  214.634   8.9675 0.8465271 10.98403 
1 1 1    8    4   57 o  120.671   5.7405  100.360   8.8214   95.482   15.170  102.853   10.843  118.324   9.4607  123.017   6.5045 -4.692413 11.48099 
1 1 1    8    4   58 o  173.837   5.4481  209.510   12.094  193.859   20.524  217.836   14.969  168.630   8.9814  179.044   6.1695 -10.41342 10.89624 
1 1 1    8    4   59 f  316.833   5.0397  682.590   21.632  704.971   30.953  661.225   30.243  321.913   7.0956  311.754   7.1587 10.15912 10.07938 
1 1 1    8    4   60 o  124.154   5.9740  102.861   9.3682  111.121   16.883   99.186   11.261  127.556   9.7671  120.752   6.8818 6.804207 11.94797 
1 1 1    8    4   61 o  307.463   6.1576  645.657   24.165  642.110   41.847  647.432   29.600  306.485   10.076  308.440   7.0816 -1.954590 12.31527 
1 1 1    8    4   62 o  168.608   6.4477  193.363   14.732   0.0000   0.0000  193.363   14.732  ?   ?   168.608   6.4477      ?      ? 
1 1 1    8    4   63 o  144.691   5.7178  141.477   10.629  138.790   13.037  146.803   18.355  142.802   6.7369  146.580   9.2406 -3.777496 11.43563 
1 1 1    8    4   64 o  206.247   4.6191  289.337   12.904  302.519   18.488  276.817   18.018  210.833   6.4709  201.661   6.5934 9.172165 9.238264 
1 1 1    8    4   65 o  293.264   4.9782  585.151   19.764  623.117   28.535  550.144   27.400  302.411   6.9631  284.117   7.1166 18.29391 9.956446 
1 1 1    8    4   66 o  212.121   4.6669  306.514   13.413  314.845   19.080  298.375   18.859  214.979   6.5494  209.263   6.6502 5.715698 9.333844 
1 1 1    8    4   67 o  182.919   5.6512  227.186   13.374  223.579   16.547  233.979   22.711  181.074   6.7433  184.764   9.0704 -3.689545 11.30244 
1 1 1    8    4   68 o  130.198   6.1472  117.795   10.079  111.821   17.677  120.672   12.269  127.425   10.237  132.971   6.8088 -5.546623 12.29449 
1 1 1    8    4   69 o  121.529   5.0625  100.914   8.3342  102.797   11.989   99.154   11.594  122.617   7.2152  120.441   7.1032 2.175385 10.12500 
1 1 1    8    4   70 o  154.117   5.8868  167.333   11.635  177.733   14.572  149.042   19.325  161.263   6.6683  146.970   9.7032 14.29272 11.77366 
1 1 1    8    4   71 o  138.600   6.0381  136.129   10.682  145.343   13.339  119.659   17.834  145.738   6.7543  131.463   10.011 14.27480 12.07624 
1 1 1    8    4   72 o  153.138   4.8268  160.891   10.005  154.079   14.276  167.466   14.024  149.898   7.0280  156.379   6.6180 -6.481522 9.653521 
1 1 1    8    4   73 o  167.167   5.7947  193.514   12.333  190.717   21.384  194.908   15.096  165.731   9.5216  168.602   6.6071 -2.871063 11.58938 
1 1 1    8    4   74 o  115.505   5.1027   91.889   7.9815   90.042   11.424   93.650   11.155  114.330   7.3738  116.679   7.0552 -2.348503 10.20532 
1 1 1    8    4   75 o   59.097   8.9496   23.875   6.6464   32.787   11.731   19.661   8.0659   66.493   13.480   51.701   11.776 14.79147 17.89917 
1 1 1    8    4   76 o  102.054   5.4527   72.526   7.5002   65.610   10.776   79.025   10.446   97.168   8.1835  106.940   7.2080 -9.771362 10.90530 
1 1 1    8    4   77 o  133.850   5.9381  121.765   10.244  114.902   12.523  135.653   17.813  128.823   7.1734  138.876   9.4652 -10.05356 11.87629 
1 1 1    8    4   78 o   33.686   9.4026   5.2702   6.0589   4.2158   7.4543   7.3228   10.401   30.501   12.101   36.871   14.395 -6.369600 18.80525 
1 1 1    8    4   79 o   97.909   5.5008   67.025   7.2862   71.930   10.368   62.239   10.241  101.542   7.5349   94.275   8.0163 7.266342 11.00164 
1 1 1    8    4   80 o   87.773   5.7816   54.198   6.8667   50.508   9.6405   57.997   9.7831   84.650   8.4041   90.897   7.9423 -6.247086 11.56326 
1 1 1    8    4   81 o  125.160   5.0952  109.515   8.6305  102.213   12.086  117.112   12.328  120.808   7.3825  129.512   7.0245 -8.704636 10.19042 
1 1 1    8    4   82 o   33.489   8.6597   6.3014   5.4948   0.8621   7.7255   11.870   7.8170   27.245   11.685   39.733   12.784 -12.48797 17.31939 
1 1 1    8    4   83 o   81.242   6.1777   47.114   6.7986   48.787   9.6586   45.470   9.5715   82.729   8.6154   79.755   8.8560 2.973991 12.35532 
1 1 1    8    4   84 o   66.351   8.8785   35.133   7.2511   37.972   8.9184   29.596   12.455   72.683   9.0546   60.019   15.275 12.66361 17.75700 
1 1 1    8    4   85 o   42.348   10.370   12.644   7.7423   5.0312   10.619   21.283   11.313   33.949   14.077   50.747   15.232 -16.79798 20.74091 
1 1 1    8    4   86 o   45.296   9.6891   17.045   6.9548   8.6269   11.069   22.536   8.9401   37.212   14.751   53.380   12.567 -16.16809 19.37828 
1 1 1    8    4   87 o   33.627   9.4162   6.4784   6.5651   1.5405   10.472   9.6755   8.4266   30.804   13.408   36.450   13.224 -5.646694 18.83231 
1 1 1    8    4   88 o   56.198   12.839   25.520   9.5638   0.0000   0.0000   25.520   9.5638  ?   ?    56.198   12.839      ?      ? 
1 1 1    8    4   89 o   67.085   15.899   39.612   14.233   0.0000   0.0000   39.612   14.233  ?   ?    67.085   15.899      ?      ? 
1 1 1    8    4   90 o   81.698   9.9548   55.992   10.508   41.352   14.556   71.925   15.185   67.684   16.104   95.711   11.708 -28.02688 19.90969 
1 1 1    8    4   91 o   44.193   11.382   18.013   8.9406   14.822   12.848   21.009   12.449   41.242   16.027   47.144   16.164 -5.902508 22.76325 
1 1 1    8    4   92 o   38.319   11.007   12.052   8.9958   9.6077   12.793   14.444   12.653   36.453   15.308   40.185   15.821 -3.732147 22.01447 
1 1 1    8    4   93 o   52.433   11.246   27.312   9.7321   13.400   13.471   42.501   14.075   38.633   15.923   66.234   15.886 -27.60075 22.49228 
1 1 1    8    5    0 o  596.521   7.2116  2415.01   58.296  2420.75   82.469  2409.28   82.418  597.231   10.190  595.812   10.208 1.418823 14.42323 
1 1 1    8    5    1 o  389.477   5.3135  1028.73   28.044  1038.21   39.710  1019.31   39.609  391.267   7.4894  387.687   7.5394 3.579987 10.62703 
1 1 1    8    5    2 o  1099.04   12.363  8220.58  184.089  8381.98  263.777  8067.32  257.036  1109.54   17.543  1088.55   17.425 20.98975 24.72631 
1 1 1    8    5    3 o  330.012   4.8261  738.371   21.580  754.138   30.698  722.967   30.344  333.496   6.7927  326.529   6.8575 6.967377 9.652219 
1 1 1    8    5    4 o  293.737   4.5486  585.006   18.105  587.458   25.553  582.534   25.657  294.355   6.4061  293.118   6.4592 1.237701 9.097207 
1 1 1    8    5    5 o  704.041   8.2662  3362.61   78.829  3471.86  113.585  3261.10  109.489  715.059   11.722  693.023   11.658 22.03564 16.53238 
1 1 1    8    5    6 o  188.968   4.9761  241.371   11.737  240.185   14.065  244.092   21.299  188.233   5.5138  189.702   8.2852 -1.469467 9.952167 
1 1 1    8    5    7 o  211.975   4.9287  317.904   11.872  329.961   13.647  280.387   24.072  220.642   4.5642  203.308   8.7372 17.33368 9.857479 
1 1 1    8    5    8 o  734.062   9.9731  3693.77   86.178  3727.32   99.912  3596.28  170.316  741.159   9.9477  726.965   17.289 14.19421 19.94621 
1 1 1    8    5    9 o  775.583   10.450  4129.67   95.494  4173.38  110.812  4003.53  188.241  784.226   10.427  766.940   18.112 17.28632 20.89916 
1 1 1    8    5   10 o  454.953   6.8387  1389.37   35.944  1376.08   41.101  1432.57   74.118  450.522   6.7321  459.384   11.906 -8.861542 13.67745 
1 1 1    8    5   11 o  328.888   5.6701  734.935   21.515  736.246   24.655  730.751   44.057  329.573   5.5203  328.202   9.9059 1.371155 11.34023 
1 1 1    8    5   12 f  704.893   8.2751  3372.01   79.045  3395.85  112.144  3348.47  111.432  707.370   11.699  702.416   11.707 4.953491 16.55024 
1 1 1    8    5   13 o  520.809   7.8902  1820.82   52.373  1897.60   92.053  1784.06   63.686  528.725   12.848  512.894   9.1629 15.83118 15.78037 
1 1 1    8    5   14 o  709.981   10.173  3427.70   92.570  3407.39  159.051  3438.10  113.836  708.141   16.574  711.821   11.801 -3.680664 20.34636 
1 1 1    8    5   15 o  172.717   4.6256  200.720   10.416  207.613   17.413  196.880   12.997  174.999   7.3427  170.435   5.6274 4.564804 9.251103 
1 1 1    8    5   16 o  525.698   6.5371  1873.99   46.569  1873.51   65.702  1874.48   66.017  525.631   9.2240  525.766   9.2657 -0.1346436 13.07422 
1 1 1    8    5   17 o  301.677   4.6419  616.857   18.975  614.540   26.667  619.234   27.007  301.104   6.5354  302.250   6.5936 -1.146729 9.283718 
1 1 1    8    5   18 o  769.136   8.9382  4012.94   93.150  3959.52  130.459  4068.51  133.047  763.918   12.602  774.354   12.679 -10.43646 17.87648 
1 1 1    8    5   19 o  159.085   3.9478  171.603   8.5062  174.685   11.909  168.393   12.154  160.545   5.4737  157.625   5.6902 2.919327 7.895506 
1 1 1    8    5   20 o  362.228   5.1251  889.389   25.156  886.748   35.351  892.099   35.805  361.684   7.2125  362.772   7.2832 -1.088165 10.25013 
1 1 1    8    5   21 o  764.834   10.932  4001.01  107.167  4064.54  132.241  3879.48  182.913  773.999   12.608  755.668   17.862 18.33051 21.86344 
1 1 1    8    5   22 o  293.914   4.6340  585.057   18.447  571.765   25.579  599.461   26.628  290.439   6.4990  297.389   6.6075 -6.949432 9.267985 
1 1 1    8    5   23 o  669.223   9.7028  3048.63   83.147  3067.76  102.238  3011.24  142.893  672.513   11.218  665.933   15.834 6.580322 19.40557 
1 1 1    8    5   24 o  800.239   11.356  4391.09  117.029  4489.10  145.395  4210.76  197.217  813.338   13.191  787.140   18.489 26.19818 22.71237 
1 1 1    8    5   25 f  472.930   6.0863  1516.45   39.004  1513.01   54.840  1519.98   55.485  472.388   8.5667  473.473   8.6477 -1.084778 12.17252 
1 1 1    8    5   26 o  1208.49   13.490  9920.20  220.793  9641.75  306.083 10222.28  318.802  1190.85   18.967  1226.13   19.187 -35.27759 26.97932 
1 1 1    8    5   27 o  362.644   10.307  892.029   50.653  892.029   50.653   0.0000   0.0000  362.644   10.307  ?   ?       ?      ? 
1 1 1    8    5   28 o  854.325   12.030  4974.54  131.650  4918.03  226.116  5003.52  161.926  850.208   19.626  858.442   13.919 -8.234497 24.06071 
1 1 1    8    5   29 o  423.280   5.6608  1214.86   32.469  1215.49   45.691  1214.21   46.148  423.393   7.9635  423.166   8.0474 0.2266235 11.32157 
1 1 1    8    5   30 o  702.638   8.2844  3350.58   78.880  3379.29  111.949  3322.28  111.160  705.627   11.707  699.648   11.724 5.978821 16.56876 
1 1 1    8    5   31 o  761.325   8.8701  3935.28   91.511  3927.18  129.032  3943.47  129.804  760.540   12.520  762.109   12.569 -1.569519 17.74016 
1 1 1    8    5   32 o  499.355   6.3561  1690.72   43.001  1659.53   60.014  1723.62   61.644  494.627   8.9535  504.084   9.0241 -9.456787 12.71220 
1 1 1    8    5   33 o  438.612   5.8271  1304.80   34.634  1308.10   48.844  1301.46   49.117  439.171   8.2072  438.052   8.2742 1.119293 11.65422 
1 1 1    8    5   34 o  783.006   9.1110  4164.83   96.675  4163.51  136.510  4166.16  136.929  782.884   12.867  783.128   12.903 -0.2437134 18.22205 
1 1 1    8    5   35 o  377.653   5.3423  965.555   27.316  924.393   37.679  1011.15   39.657  369.186   7.5314  386.121   7.5789 -16.93411 10.68468 
1 1 1    8    5   36 o  283.201   5.7368  555.115   21.047  504.403   34.477  585.244   26.574  272.626   9.3320  293.775   6.6751 -21.14938 11.47359 
1 1 1    8    5   37 o  283.524   6.5204  545.551   25.045  543.764   34.981  547.430   35.874  283.053   9.1198  283.996   9.3216 -0.9421692 13.04079 
1 1 1    8    5   38 f  520.320   8.0511  1857.15   54.044  1781.20   90.727  1898.92   67.283  511.760   13.082  528.881   9.3878 -17.12051 16.10217 
1 1 1    8    5   39 o  539.369   8.3022  1987.38   57.201  2007.17   70.235  1948.40   98.575  543.679   9.5330  535.058   13.595 8.620056 16.60434 
1 1 1    8    5   40 o  416.595   6.9677  1177.84   36.922  1175.77   45.011  1182.10   64.552  416.219   7.9803  416.971   11.424 -0.7524414 13.93543 
1 1 1    8    5   41 o  385.358   5.4339  1007.91   28.375  1022.00   40.184  993.899   40.073  388.047   7.6416  382.669   7.7275 5.378662 10.86778 
1 1 1    8    5   42 o  373.701   7.5930  947.940   38.452   0.0000   0.0000  947.940   38.452  ?   ?   373.701   7.5930      ?      ? 
1 1 1    8    5   43 o  244.192   6.4440  404.598   21.324   0.0000   0.0000  404.598   21.324  ?   ?   244.192   6.4440      ?      ? 
1 1 1    8    5   44 o  371.843   6.5622  947.562   31.179  963.730   38.367  916.120   53.504  376.752   7.5147  366.934   10.760 9.818634 13.12436 
1 1 1    8    5   45 o  319.981   6.0464  689.859   24.757  713.459   43.084  678.224   30.251  323.887   9.8161  316.074   7.0626 7.813629 12.09278 
1 1 1    8    5   46 o  286.691   4.7384  557.870   18.405  573.941   26.185  542.176   25.876  290.776   6.6452  282.606   6.7566 8.169739 9.476796 
1 1 1    8    5   47 o  258.585   4.5862  453.983   16.067  466.159   22.728  441.819   22.716  262.057   6.3999  255.112   6.5707 6.945633 9.172437 
1 1 1    8    5   48 o  157.845   4.3333  169.188   9.2644  174.680   13.069  163.641   13.135  160.426   6.0113  155.264   6.2429 5.162170 8.666591 
1 1 1    8    5   49 o  450.768   6.0000  1381.73   36.650  1392.59   51.877  1370.92   51.786  452.541   8.4594  448.996   8.5111 3.545776 11.99996 
1 1 1    8    5   50 o  195.831   4.3776  260.371   11.617  259.894   16.338  260.858   16.520  195.652   6.1623  196.011   6.2193 -0.3589478 8.755172 
1 1 1    8    5   51 o   65.551   6.0591   29.252   5.3774   27.795   7.6019   30.711   7.6076   63.910   8.7774   67.192   8.3550 -3.281479 12.11817 
1 1 1    8    5   52 o  381.526   5.4591  988.797   28.209  1034.39   40.576  946.146   39.244  390.037   7.6768  373.014   7.7637 17.02322 10.91825 
1 1 1    8    5   53 o  231.110   4.5354  362.533   14.193  383.858   20.367  342.404   19.788  237.719   6.3224  224.500   6.5044 13.21907 9.070827 
1 1 1    8    5   54 o  183.199   4.4349  228.012   11.009  224.795   15.580  231.221   15.559  181.905   6.3202  184.494   6.2233 -2.589096 8.869873 
1 1 1    8    5   55 o  228.983   5.5310  356.073   16.243  358.976   27.962  354.595   19.954  229.530   8.9899  228.436   6.4459 1.094528 11.06197 
1 1 1    8    5   56 o  285.954   5.9469  556.518   21.791  555.713   26.768  558.101   37.524  285.886   6.9093  286.022   9.6812 -0.1353455 11.89388 
1 1 1    8    5   57 o  224.909   4.5711  343.190   13.905  374.346   20.105  314.619   19.253  234.692   6.3216  215.126   6.6042 19.56558 9.142141 
1 1 1    8    5   58 o  104.001   5.1128   73.610   7.2037   72.734   10.272   74.456   10.105  103.386   7.3320  104.615   7.1278 -1.229126 10.22567 
1 1 1    8    5   59 o  134.473   4.7626  122.747   8.6530  136.650   12.523  110.045   11.970  141.762   6.5189  127.185   6.9451 14.57675 9.525230 
1 1 1    8    5   60 o  106.441   5.1260   77.154   7.3876   80.976   10.463   73.356   10.432  109.081   7.0785  103.801   7.4161 5.280907 10.25203 
1 1 1    8    5   61 o  167.190   6.5599  190.863   14.861  193.596   21.201  188.224   20.836  168.364   9.2926  166.016   9.2615 2.347809 13.11972 
1 1 1    8    5   62 o  172.260   5.5330  191.607   12.153  233.794   21.995  173.068   14.581  185.056   8.7709  159.464   6.7475 25.59242 11.06603 
1 1 1    8    5   63 o  194.001   5.6508  254.471   14.066  249.820   17.232  263.755   24.348  191.570   6.6378  196.431   9.1468 -4.861130 11.30157 
1 1 1    8    5   64 o  155.436   5.9656  171.102   11.738  146.786   19.792  184.297   14.579  146.352   9.9795  164.520   6.5394 -18.16881 11.93124 
1 1 1    8    5   65 o  120.547   5.0760   99.426   8.2642   92.468   11.877  105.957   11.507  116.406   7.5291  124.688   6.8099 -8.282120 10.15198 
1 1 1    8    5   66 o  138.094   4.8384  130.085   9.0522  128.021   12.873  132.103   12.731  136.998   6.9341  139.189   6.7497 -2.191330 9.676817 
1 1 1    8    5   67 f  127.954   4.9957  111.863   8.6549  106.850   12.262  116.841   12.218  125.071   7.2345  130.837   6.8913 -5.765808 9.991364 
1 1 1    8    5   68 o  159.784   4.6945  173.809   10.140  191.993   14.738  157.467   13.972  167.725   6.4843  151.844   6.7901 15.88072 9.388946 
1 1 1    8    5   69 o   66.066   7.1760   30.598   6.2029   36.634   8.9562   25.035   8.5992   72.956   9.0590   59.177   11.132 13.77943 14.35202 
1 1 1    8    5   70 o  150.241   5.9906  159.387   11.355  143.492   19.536  167.496   13.954  143.982   10.013  156.500   6.5798 -12.51834 11.98121 
1 1 1    8    5   71 o  170.213   6.7073  200.657   15.463  195.164   22.012  206.009   21.726  167.838   9.6780  172.588   9.2892 -4.750092 13.41463 
1 1 1    8    5   72 o   64.730   8.6596   31.196   7.1069   34.551   9.0351   25.751   11.510   70.568   9.4481   58.891   14.515 11.67678 17.31911 
1 1 1    8    5   73 o  222.559   4.7560  340.108   14.339  352.140   20.432  328.428   20.130  226.467   6.6576  218.650   6.7937 7.816925 9.511962 
1 1 1    8    5   74 o   38.750   9.0601   10.375   5.5867   8.3862   8.0888   12.188   7.7252   36.354   12.986   41.145   12.638 -4.790779 18.12016 
1 1 1    8    5   75 o  113.611   6.2700   86.856   9.1801   80.322   11.182  100.366   16.079  107.701   7.6613  119.522   9.9274 -11.82090 12.53992 
1 1 1    8    5   76 o   43.342   10.819   12.895   7.9606   10.865   11.346   14.863   11.172   41.300   15.286   45.384   15.314 -4.083454 21.63775 
1 1 1    8    5   77 o   49.495   8.6045   18.382   5.7376   19.713   8.1376   17.066   8.0909   51.345   11.924   47.644   12.409 3.700932 17.20898 
1 1 1    8    5   78 f   60.599   7.6475   26.767   6.1341   28.744   8.6612   24.777   8.6888   63.511   10.064   57.688   11.518 5.822735 15.29495 
1 1 1    8    5   79 o  144.260   4.9665  144.640   9.6919  133.070   13.426  157.229   14.005  138.165   7.1709  150.355   6.8734 -12.19043 9.933076 
1 1 1    8    5   80 o   82.409   6.2771   47.953   6.9509   40.048   9.4921   57.093   10.207   74.919   9.3495   89.900   8.3782 -14.98144 12.55423 
1 1 1    8    5   81 o  121.508   5.2325  103.846   8.5902  111.543   12.061   95.923   12.237  126.283   7.0479  116.734   7.7359 9.548592 10.46506 
1 1 1    8    5   82 o  111.763   5.3631   87.864   8.1132   82.248   11.255   93.940   11.706  107.990   7.6909  115.536   7.4767 -7.545654 10.72618 
1 1 1    8    5   83 o  114.268   6.9640  101.502   9.7607   74.022   16.231  117.069   12.216   99.373   12.053  129.163   6.9795 -29.79081 13.92809 
1 1 1    8    5   84 o   55.002   9.7510   23.888   7.0550   25.925   11.718   22.730   8.8359   56.065   15.090   53.940   12.354 2.124802 19.50208 
1 1 1    8    5   85 o   56.092   11.026   26.449   8.6798   25.602   12.048   27.363   12.516   55.228   15.477   56.956   15.707 -1.728298 22.05113 
1 1 1    8    5   86 o   37.241   10.027   8.3723   6.8298   14.730   11.495   4.9038   8.4910   43.037   15.469   31.444   12.762 11.59334 20.05421 
1 1 1    8    5   87 o   50.483   10.447   21.272   7.3874   22.533   12.491   20.594   9.1616   50.782   16.141   50.184   13.269 0.5982285 20.89495 
1 1 1    8    5   88 o   34.046   10.127   4.7892   8.1700   9.8398   11.376  -0.5903   11.741   37.658   14.946   30.434   13.669 7.224184 20.25348 
1 1 1    8    5   89 o   45.898   16.701   19.062   13.455   0.0000   0.0000   19.062   13.455  ?   ?    45.898   16.701      ?      ? 
1 1 1    8    5   90 o   39.879   11.266   12.891   9.2323   11.205   13.489   14.376   12.663   38.717   15.942   41.040   15.922 -2.322845 22.53150 
1 1 1    8    5   91 o   62.783   11.675   38.108   10.166   43.592   14.401   32.662   14.352   68.502   15.831   57.063   17.163 11.43883 23.34933 
1 1 1    8    5   92 o   34.233   10.234   6.2536   8.6691  -2.4180   12.371   14.621   12.152   28.669   13.304   39.797   15.554 -11.12779 20.46703 
1 1 1    8    5   93 o   33.660   10.165   5.2817   8.8287  -5.2843   12.323   16.424   12.655   26.892   12.730   40.428   15.852 -13.53602 20.33060 
1 1 1    8    6    0 o  419.668   5.5978  1194.32   31.835  1188.99   44.840  1199.75   45.204  418.724   7.9023  420.612   7.9307 -1.888092 11.19567 
1 1 1    8    6    1 o  575.991   7.0314  2249.93   54.870  2203.86   76.594  2298.49   78.643  569.939   9.9171  582.042   9.9707 -12.10333 14.06280 
1 1 1    8    6    2 o  788.070   9.1245  4216.71   97.436  4169.15  136.725  4265.79  138.891  783.559   12.876  792.581   12.932 -9.022156 18.24897 
1 1 1    8    6    3 o  145.097   3.8954  142.820   7.6525  148.965   10.781  136.581   10.864  148.247   5.3665  141.948   5.6478 6.299149 7.790812 
1 1 1    8    6    4 o  514.379   6.4532  1793.45   44.968  1846.95   64.564  1743.06   62.666  521.823   9.1302  506.935   9.1222 14.88843 12.90639 
1 1 1    8    6    5 o  480.307   7.5048  1591.10   46.712  1473.23   76.897  1660.03   58.805  465.873   12.180  494.741   8.7711 -28.86838 15.00968 
1 1 1    8    6    6 o  417.354   6.8141  1202.13   36.862  1107.62   60.564  1257.74   46.459  404.025   11.062  430.683   7.9603 -26.65817 13.62816 
1 1 1    8    6    7 o  595.196   10.207  2403.79   82.266  2351.42  113.807  2461.11  119.054  588.428   14.272  601.965   14.595 -13.53766 20.41323 
1 1 1    8    6    8 o  693.669   10.081  3288.90   89.429  3333.67  110.034  3201.79  153.491  700.925   11.584  686.413   16.501 14.51245 20.16153 
1 1 1    8    6    9 o  1255.53   16.184 10538.15  234.212 10362.67  267.147 11121.10  486.917  1235.08   15.961  1275.98   28.160 -40.90491 32.36869 
1 1 1    8    6   10 o  217.555   4.9217  316.155   12.113  312.415   13.717  329.392   25.809  214.705   4.7146  220.405   8.6410 -5.699509 9.843498 
1 1 1    8    6   11 o  802.422   10.774  4427.17  102.030  4485.72  118.570  4260.13  200.279  813.211   10.759  791.633   18.669 21.57782 21.54783 
1 1 1    8    6   12 o  898.992   11.875  5468.17  124.519  5447.18  143.235  5533.13  251.951  896.056   11.796  901.929   20.614 -5.873169 23.75030 
1 1 1    8    6   13 o  445.314   6.7548  1313.99   34.509  1287.99   39.242  1402.73   72.487  435.908   6.6431  454.720   11.763 -18.81195 13.50963 
1 1 1    8    6   14 o  116.024   5.0125   93.396   6.3954   94.984   7.2174   87.592   13.799  118.389   4.4987  113.659   8.9590 4.729431 10.02505 
1 1 1    8    6   15 f  587.158   7.1338  2337.95   56.762  2349.25   80.378  2326.71   80.168  588.574   10.078  585.743   10.100 2.831299 14.26758 
1 1 1    8    6   16 o  679.066   8.0535  3126.65   74.095  3193.70  106.080  3062.78  103.539  686.170   11.408  671.961   11.370 14.20874 16.10700 
1 1 1    8    6   17 o  789.695   9.1430  4229.84   97.825  4317.18  139.951  4146.40  136.794  797.661   12.947  781.728   12.913 15.93317 18.28593 
1 1 1    8    6   18 o  835.557   11.780  4790.99  126.830  4907.37  157.765  4578.33  213.254  850.369   13.691  820.746   19.174 29.62244 23.55973 
1 1 1    8    6   19 o  567.831   9.8163  2186.47   75.535  2186.47   75.535   0.0000   0.0000  567.831   9.8163  ?   ?       ?      ? 
1 1 1    8    6   20 o  1058.69   16.854  7612.86  241.797  7612.86  241.797   0.0000   0.0000  1058.69   16.854  ?   ?       ?      ? 
1 1 1    8    6   21 o  693.930   10.065  3257.34   88.744  3236.47  107.951  3300.84  155.860  690.725   11.533  697.135   16.498 -6.409241 20.12953 
1 1 1    8    6   22 o  820.771   9.4600  4571.93  105.219  4591.39  148.975  4552.56  148.630  822.515   13.366  819.027   13.391 3.488342 18.91997 
1 1 1    8    6   23 o  551.697   6.8155  2064.14   50.954  2067.44   71.884  2060.82   72.236  552.141   9.6072  551.253   9.6699 0.8880615 13.63106 
1 1 1    8    6   24 o  359.781   5.1555  877.292   25.129  867.799   35.077  887.302   36.019  357.784   7.2347  361.779   7.3469 -3.995056 10.31101 
1 1 1    8    6   25 o  334.006   7.0503  756.288   31.911   0.0000   0.0000  756.288   31.911  ?   ?   334.006   7.0503      ?      ? 
1 1 1    8    6   26 o  472.306   6.0977  1512.76   39.026  1522.71   55.116  1502.76   55.267  473.865   8.5830  470.747   8.6635 3.118469 12.19531 
1 1 1    8    6   27 o  619.654   9.1564  2572.05   71.922  2704.48  128.008  2510.95   86.943  630.950   14.971  608.359   10.546 22.59192 18.31289 
1 1 1    8    6   28 o  764.159   10.947  3983.56  107.252  3921.22  183.656  4015.82  132.122  759.230   17.850  769.088   12.677 -9.858643 21.89394 
1 1 1    8    6   29 o  1027.72   11.614  7181.75  161.740  7135.15  227.526  7229.37  229.962  1024.35   16.391  1031.08   16.458 -6.725830 23.22777 
1 1 1    8    6   30 o  501.543   8.9794  1706.30   61.030  1706.30   61.030   0.0000   0.0000  501.543   8.9794  ?   ?       ?      ? 
1 1 1    8    6   31 o  445.839   5.8903  1347.94   35.583  1334.94   49.817  1361.48   50.841  443.648   8.2863  448.030   8.3739 -4.382172 11.78065 
1 1 1    8    6   32 o  413.194   5.6145  1157.72   31.432  1146.55   43.957  1169.41   44.963  411.158   7.8893  415.231   7.9907 -4.073212 11.22906 
1 1 1    8    6   33 o  609.090   7.3949  2518.34   61.037  2515.77   86.087  2520.94   86.554  608.780   10.435  609.400   10.481 -0.6204224 14.78990 
1 1 1    8    6   34 o  455.067   7.3009  1413.45   42.763  1381.51   72.515  1430.47   52.950  450.962   11.866  459.172   8.5096 -8.209747 14.60184 
1 1 1    8    6   35 o  724.775   12.096  3569.66  118.805   0.0000   0.0000  3569.66  118.805  ?   ?   724.775   12.096      ?      ? 
1 1 1    8    6   36 o  261.154   4.5393  461.209   16.042  435.157   22.009  490.732   23.430  253.310   6.4116  268.999   6.4274 -15.68903 9.078605 
1 1 1    8    6   37 o  325.008   4.9544  716.586   21.818  718.858   30.629  714.247   31.086  325.534   6.9430  324.482   7.0695 1.052460 9.908780 
1 1 1    8    6   38 o  339.042   7.2235  779.916   33.188   0.0000   0.0000  779.916   33.188  ?   ?   339.042   7.2235      ?      ? 
1 1 1    8    6   39 o  193.974   5.2970  246.113   12.884  232.235   15.326  279.566   23.794  185.037   6.1119  202.912   8.6531 -17.87485 10.59396 
1 1 1    8    6   40 f  698.818   11.796  3331.50  111.610  3494.80  161.727  3183.00  154.220  715.139   16.688  682.496   16.675 32.64282 23.59117 
1 1 1    8    6   41 o  389.585   7.7050  1032.46   40.674  1048.86   57.581  1016.12   57.464  392.684   10.821  386.486   10.972 6.198273 15.40993 
1 1 1    8    6   42 o  147.228   5.3690  148.959   9.9708  152.208   12.138  142.214   17.486  149.785   5.9797  144.671   8.9190 5.113373 10.73807 
1 1 1    8    6   43 o  199.421   4.3397  269.162   11.713  254.579   16.099  285.563   17.072  193.697   6.1333  205.146   6.1412 -11.44844 8.679394 
1 1 1    8    6   44 o  162.632   4.3020  179.574   9.4734  182.133   13.188  176.846   13.616  163.835   5.9402  161.428   6.2245 2.406448 8.604098 
1 1 1    8    6   45 o  187.001   5.3012  238.102   12.741  235.658   21.740  239.381   15.724  186.196   8.6160  187.806   6.1785 -1.610840 10.60234 
1 1 1    8    6   46 o  154.744   5.3112  159.735   10.616  172.238   18.286  153.379   13.038  159.174   8.4773  150.314   6.4007 8.860504 10.62234 
1 1 1    8    6   47 o  285.357   4.7562  552.724   18.387  544.043   25.629  561.930   26.394  283.053   6.6815  287.660   6.7708 -4.607056 9.512418 
1 1 1    8    6   48 o  166.833   4.3702  188.994   9.8769  190.421   13.822  187.505   14.119  167.481   6.0902  166.184   6.2693 1.296829 8.740416 
1 1 1    8    6   49 o  379.617   5.4299  979.073   27.925  958.883   38.915  1000.51   40.096  375.590   7.6457  383.645   7.7123 -8.054932 10.85986 
1 1 1    8    6   50 o  176.374   4.4103  211.309   10.530  223.491   14.963  199.354   14.823  181.422   6.0862  171.327   6.3843 10.09474 8.820507 
1 1 1    8    6   51 o  189.059   4.4175  242.787   11.316  244.681   15.907  240.846   16.102  189.810   6.1841  188.307   6.3100 1.502411 8.835054 
1 1 1    8    6   52 o   61.646   7.7463   25.065   6.1801   32.074   10.342   21.173   7.7075   68.530   11.137   54.762   10.770 13.76766 15.49256 
1 1 1    8    6   53 o  294.317   5.9397  593.556   22.539  577.049   38.017  602.503   27.988  290.919   9.6433  297.714   6.9373 -6.794922 11.87936 
1 1 1    8    6   54 f  102.651   5.0774   71.697   7.0067   60.231   9.7257   84.070   10.103   94.089   7.6278  111.213   6.7037 -17.12329 10.15490 
1 1 1    8    6   55 o  372.252   5.4439  942.942   27.458  965.744   39.032  920.603   38.633  376.717   7.6458  367.786   7.7515 8.931732 10.88779 
1 1 1    8    6   56 o  308.081   6.2413  660.135   24.565  689.239   30.460  605.990   41.545  318.325   7.0611  297.838   10.293 20.48727 12.48256 
1 1 1    8    6   57 o  163.500   5.8280  185.084   12.062  190.803   14.769  173.631   20.901  167.522   6.5059  159.477   9.6713 8.045471 11.65591 
1 1 1    8    6   58 o  119.148   6.2052   99.356   9.3646  104.561   11.546   89.350   16.009  123.978   6.8724  114.319   10.334 9.658440 12.41044 
1 1 1    8    6   59 o  244.514   6.6885  406.704   22.162  406.704   22.162   0.0000   0.0000  244.514   6.6885  ?   ?       ?      ? 
1 1 1    8    6   60 o  205.714   6.5698  289.094   18.312  285.160   25.996  292.969   25.800  204.307   9.3894  207.121   9.1919 -2.813843 13.13969 
1 1 1    8    6   61 o  181.582   4.6743  224.563   11.493  217.363   16.399  231.512   16.110  178.700   6.7720  184.464   6.4448 -5.764343 9.348568 
1 1 1    8    6   62 o  219.399   5.7339  326.158   16.021  335.190   28.093  321.805   19.503  221.378   9.3644  217.420   6.6194 3.957077 11.46774 
1 1 1    8    6   63 o  214.498   4.6830  313.303   13.611  316.270   19.395  310.424   19.106  215.496   6.6416  213.501   6.6039 1.994720 9.365997 
1 1 1    8    6   64 o  169.804   4.7094  196.460   10.836  199.680   15.388  193.294   15.261  171.188   6.6334  168.421   6.6866 2.767075 9.418754 
1 1 1    8    6   65 o  154.386   4.7923  162.102   9.9956  180.939   14.521  145.137   13.780  162.916   6.5771  145.856   6.9719 17.06035 9.584658 
1 1 1    8    6   66 o  152.390   4.7615  158.433   9.8315  162.166   14.019  154.820   13.791  154.160   6.7108  150.621   6.7568 3.539200 9.523022 
1 1 1    8    6   67 o  140.331   4.8480  134.547   9.2169  130.982   13.029  138.119   13.041  138.455   6.9440  142.206   6.7671 -3.751511 9.695981 
1 1 1    8    6   68 o  116.677   6.5362   97.812   9.5239   82.527   16.360  105.646   11.713  109.070   11.069  124.284   6.9546 -15.21396 13.07241 
1 1 1    8    6   69 o  124.768   5.1203  106.793   8.6310  105.077   12.651  108.288   11.805  123.769   7.5427  125.767   6.9266 -1.997368 10.24064 
1 1 1    8    6   70 o   89.027   5.7570   54.518   6.9378   58.197   9.9577   51.048   9.6716   91.969   7.9898   86.085   8.2907 5.883430 11.51398 
1 1 1    8    6   71 o  118.381   5.1373   96.328   8.2389   99.062   11.655   93.597   11.648  120.084   7.1624  116.678   7.3667 3.405220 10.27465 
1 1 1    8    6   72 o  144.017   5.8692  140.517   10.909  134.162   13.381  153.115   18.840  139.664   7.0700  148.370   9.3703 -8.706253 11.73830 
1 1 1    8    6   73 o  100.964   6.7791   69.769   8.8132   66.726   10.789   75.871   15.278   98.154   8.1115  103.774   10.864 -5.619606 13.55830 
1 1 1    8    6   74 o   77.887   6.6435   43.000   6.8571   53.109   9.7086   32.939   9.6862   87.439   8.1935   68.335   10.460 19.10420 13.28701 
1 1 1    8    6   75 o  103.872   5.4384   75.055   7.6336   68.985   10.826   81.058   10.766   99.577   8.0226  108.167   7.3445 -8.590569 10.87671 
1 1 1    8    6   76 o   58.445   8.1184   25.210   6.1959   26.779   8.9926   23.791   8.5489   60.232   11.436   56.658   11.527 3.573929 16.23684 
1 1 1    8    6   77 o   44.758   9.5696   15.778   6.5752   8.3512   11.229   19.654   8.1113   38.406   14.967   51.110   11.929 -12.70395 19.13924 
1 1 1    8    6   78 o  115.141   5.2802   92.680   8.2172   84.494   11.537  101.107   11.706  109.843   7.7508  120.438   7.1726 -10.59511 10.56034 
1 1 1    8    6   79 o   68.653   6.8848   33.769   6.3965   31.611   8.9871   35.985   9.1061   66.329   9.9985   70.978   9.4673 -4.649467 13.76953 
1 1 1    8    6   80 o   55.139   8.0160   23.013   6.0838   10.316   8.3576   37.326   8.8732   37.952   13.231   72.326   9.0533 -34.37370 16.03194 
1 1 1    8    6   81 o   49.811   10.015   19.891   6.9368   18.498   11.779   20.631   8.5831   48.035   15.711   51.587   12.426 -3.552170 20.03074 
1 1 1    8    6   82 o  107.789   6.7753   84.911   9.3043   80.870   15.863   87.031   11.488  104.579   11.193  110.999   7.6373 -6.420166 13.55054 
1 1 1    8    6   83 o   49.501   9.8808   20.066   6.8513   17.511   11.468   21.484   8.5434   46.520   15.516   52.481   12.238 -5.960327 19.76164 
1 1 1    8    6   84 o   67.055   9.0927   37.813   7.6041   25.585   12.423   45.139   9.6159   55.031   15.817   79.078   8.9733 -24.04626 18.18537 
1 1 1    8    6   85 o   61.409   9.7783   29.748   7.6663   33.926   12.970   27.504   9.5041   63.637   15.241   59.182   12.254 4.455730 19.55663 
1 1 1    8    6   86 o   60.277   16.154   31.710   13.463   31.710   13.463   0.0000   0.0000   60.277   16.154  ?   ?       ?      ? 
1 1 1    8    6   87 o   65.056   11.376   37.243   9.9790   35.046   13.929   39.560   14.304   62.853   16.238   67.260   15.937 -4.406559 22.75226 
1 1 1    8    6   88 o   65.949   11.344   39.051   10.277   28.625   14.230   50.418   14.858   55.060   17.192   76.839   14.806 -21.77967 22.68882 
1 1 1    8    6   89 o   27.664   9.1545  -5.9020   8.5889  -8.2579   12.091  -3.5022   12.203   26.519   12.569   28.808   13.313 -2.288929 18.30909 
1 1 1    8    6   90 o   77.318   14.971   53.300   15.120   0.0000   0.0000   53.300   15.120  ?   ?    77.318   14.971      ?      ? 
1 1 1    8    6   91 o   33.247   10.257   5.6948   8.7219   4.5635   12.468   6.7789   12.205   32.617   14.399   33.877   14.610 -1.260578 20.51315 
1 1 1    8    6   92 o   68.334   11.575   46.810   10.593   44.223   15.044   49.353   14.918   65.575   16.841   71.093   15.885 -5.517288 23.15035 
1 1 1    8    7    0 o  283.220   4.5840  543.765   17.592  548.752   24.797  538.712   24.962  284.528   6.4313  281.911   6.5340 2.616730 9.168092 
1 1 1    8    7    1 o  329.526   4.9113  735.980   21.928  755.610   31.205  716.830   30.821  333.867   6.8970  325.185   6.9940 8.682281 9.822701 
1 1 1    8    7    2 o  606.948   9.0354  2491.03   69.796  2525.69  122.212  2474.25   85.027  609.912   14.786  603.984   10.388 5.928833 18.07088 
1 1 1    8    7    3 o  281.194   5.6796  532.697   20.259  545.627   35.792  526.601   24.575  283.660   9.3112  278.727   6.5063 4.932281 11.35912 
1 1 1    8    7    4 o  347.582   6.2419  815.950   27.574  828.437   48.434  809.963   33.539  349.499   10.226  345.664   7.1600 3.834991 12.48384 
1 1 1    8    7    5 o  549.641   6.7979  2047.87   50.623  2097.43   72.404  2000.47   70.807  556.144   9.6071  543.137   9.6202 13.00763 13.59576 
1 1 1    8    7    6 o  234.329   4.3071  372.180   13.666  392.542   19.456  352.350   19.199  240.657   5.9657  228.001   6.2139 12.65578 8.614117 
1 1 1    8    7    7 o  271.791   4.5168  500.301   16.629  487.235   23.103  514.345   23.953  268.112   6.3588  275.469   6.4165 -7.357117 9.033644 
1 1 1    8    7    8 o  1018.20   13.322  7052.87  158.913  7059.69  183.421  7032.33  318.223  1019.97   13.270  1016.43   23.103 3.539551 26.64309 
1 1 1    8    7    9 o  595.222   8.4049  2391.13   58.083  2379.66   66.646  2427.35  118.451  592.453   8.3011  597.992   14.617 -5.539490 16.80971 
1 1 1    8    7   10 o  935.035   12.331  5957.04  135.189  5975.02  156.175  5903.32  270.008  938.462   12.280  931.609   21.388 6.853027 24.66239 
1 1 1    8    7   11 o  394.837   6.3687  1044.93   28.853  1034.50   32.888  1079.80   60.125  390.678   6.2120  398.997   11.120 -8.318878 12.73743 
1 1 1    8    7   12 o  733.237   9.8885  3645.84   98.256  3645.84   98.256   0.0000   0.0000  733.237   9.8885  ?   ?       ?      ? 
1 1 1    8    7   13 o  314.096   6.7752  668.720   28.838  668.720   28.838   0.0000   0.0000  314.096   6.7752  ?   ?       ?      ? 
1 1 1    8    7   14 o  241.110   4.9686  393.979   16.234  393.979   16.234   0.0000   0.0000  241.110   4.9686  ?   ?       ?      ? 
1 1 1    8    7   15 o  384.094   6.2837  1003.27   27.923  1006.05   32.047  994.511   56.906  385.268   6.1382  382.918   10.966 2.349915 12.56742 
1 1 1    8    7   16 o  796.302   11.363  4345.46  116.134  4432.60  143.671  4181.19  197.266  808.222   13.118  784.383   18.558 23.83893 22.72635 
1 1 1    8    7   17 o  492.081   7.7424  1634.28   48.270  1619.69   58.523  1665.32   85.371  488.754   8.8359  495.407   12.716 -6.652863 15.48488 
1 1 1    8    7   18 f  464.471   7.4564  1463.85   43.983  1465.06   53.570  1461.36   77.044  464.846   8.5042  464.095   12.250 0.7507019 14.91289 
1 1 1    8    7   19 o  256.746   4.4501  446.747   15.480  443.953   21.646  449.672   22.147  255.925   6.2413  257.567   6.3452 -1.641586 8.900268 
1 1 1    8    7   20 o  403.667   5.5073  1104.73   30.125  1118.17   42.667  1091.37   42.539  406.117   7.7528  401.218   7.8239 4.899231 11.01454 
1 1 1    8    7   21 o  396.574   5.4568  1066.29   29.324  1069.80   41.356  1062.74   41.587  397.231   7.6827  395.917   7.7512 1.313629 10.91352 
1 1 1    8    7   22 o  408.158   5.5598  1129.51   30.750  1127.56   43.269  1131.50   43.709  407.803   7.8297  408.513   7.8955 -0.7104797 11.11955 
1 1 1    8    7   23 o  948.052   10.801  6104.77  138.752  6198.23  197.930  6014.47  194.562  955.182   15.291  940.922   15.259 14.26013 21.60222 
1 1 1    8    7   24 o  123.383   4.3342  103.296   7.2362  105.362   10.027  101.050   10.453  124.674   5.9351  122.093   6.3178 2.581116 8.668333 
1 1 1    8    7   25 o  686.021   8.1295  3193.45   75.566  3154.62  105.862  3233.78  107.901  681.774   11.458  690.268   11.535 -8.493652 16.25893 
1 1 1    8    7   26 o  300.247   5.8802  615.679   22.650  597.879   38.608  625.020   27.969  296.869   9.5969  303.625   6.7976 -6.755981 11.76047 
1 1 1    8    7   27 o  206.326   5.3344  292.104   14.110  277.884   23.954  299.661   17.461  202.408   8.7329  210.245   6.1287 -7.837555 10.66889 
1 1 1    8    7   28 o  506.872   9.1356  1742.89   62.750   0.0000   0.0000  1742.89   62.750  ?   ?   506.872   9.1356      ?      ? 
1 1 1    8    7   29 o  521.339   6.5791  1843.81   46.477  1824.18   65.261  1864.01   66.207  518.525   9.2876  524.153   9.3210 -5.627991 13.15827 
1 1 1    8    7   30 o  149.160   5.0668  150.331   9.9007  152.999   16.301  148.772   12.463  150.189   8.0090  148.131   6.2086 2.058182 10.13366 
1 1 1    8    7   31 o  269.409   5.5769  494.783   19.455  483.929   32.576  500.800   24.256  267.056   9.0015  271.762   6.5863 -4.705902 11.15375 
1 1 1    8    7   32 o  380.043   5.3659  979.765   27.633  984.641   38.900  974.797   39.261  381.001   7.5342  379.086   7.6426 1.915375 10.73189 
1 1 1    8    7   33 o  324.420   7.0822  713.872   31.136   0.0000   0.0000  713.872   31.136  ?   ?   324.420   7.0822      ?      ? 
1 1 1    8    7   34 o  376.401   5.3473  961.129   27.272  956.797   38.230  965.617   38.915  375.540   7.5122  377.261   7.6119 -1.720551 10.69457 
1 1 1    8    7   35 o  478.906   6.2097  1557.00   40.299  1566.69   56.863  1547.23   57.119  480.407   8.7345  477.405   8.8290 3.002136 12.41950 
1 1 1    8    7   36 o  251.375   4.5202  428.794   15.391  436.243   21.563  421.057   21.975  253.607   6.2743  249.143   6.5087 4.463257 9.040472 
1 1 1    8    7   37 f  312.708   5.9747  663.038   23.747  661.361   28.924  666.507   41.597  312.213   6.8364  313.203   9.8007 -0.9902649 11.94949 
1 1 1    8    7   38 o  304.021   9.7115  628.103   40.010   0.0000   0.0000  628.103   40.010  ?   ?   304.021   9.7115      ?      ? 
1 1 1    8    7   39 o  450.877   7.3879  1384.01   42.338  1386.98   51.632  1377.92   73.972  451.902   8.4312  449.852   12.134 2.049469 14.77589 
1 1 1    8    7   40 o  435.565   7.1940  1268.71   39.447  1233.65   47.358  1348.14   71.286  426.184   8.2001  444.945   11.823 -18.76102 14.38809 
1 1 1    8    7   41 o  279.592   4.7124  529.922   17.842  513.381   24.681  548.031   25.824  275.030   6.6221  284.154   6.7065 -9.123779 9.424881 
1 1 1    8    7   42 o  402.643   7.9827  1101.33   43.556   0.0000   0.0000  1101.33   43.556  ?   ?   402.643   7.9827      ?      ? 
1 1 1    8    7   43 o  427.448   5.8116  1241.65   33.662  1252.88   47.559  1230.38   47.653  429.392   8.1732  425.504   8.2643 3.887665 11.62326 
1 1 1    8    7   44 o  494.729   6.4178  1664.64   43.026  1663.58   60.743  1665.70   60.955  494.574   9.0632  494.885   9.0891 -0.3101196 12.83564 
1 1 1    8    7   45 o  119.715   9.1607   97.501   14.861   0.0000   0.0000   97.501   14.861  ?   ?   119.715   9.1607      ?      ? 
1 1 1    8    7   46 o  237.365   6.4267  382.476   20.625  347.811   28.490  420.656   29.899  226.066   9.2997  248.664   8.8728 -22.59825 12.85344 
1 1 1    8    7   47 o  229.790   4.5217  358.537   14.078  356.923   19.695  360.224   20.129  229.266   6.3393  230.315   6.4494 -1.048920 9.043316 
1 1 1    8    7   48 o  281.507   4.7780  538.160   18.223  529.412   25.458  547.354   26.098  279.164   6.7294  283.849   6.7847 -4.684937 9.555989 
1 1 1    8    7   49 o  459.107   7.4724  1438.54   44.002  1435.32   75.519  1440.19   54.141  458.222   12.162  459.992   8.6855 -1.770294 14.94485 
1 1 1    8    7   50 o  208.872   5.6106  306.656   15.057  262.744   24.636  332.841   19.024  196.389   9.2570  221.356   6.3421 -24.96657 11.22119 
1 1 1    8    7   51 o  174.058   4.4784  205.641   10.559  199.190   14.675  212.565   15.204  171.231   6.3242  176.885   6.3427 -5.653687 8.956861 
1 1 1    8    7   52 o  373.551   5.4366  949.331   27.519  946.120   38.675  952.624   39.166  372.918   7.6530  374.183   7.7240 -1.265411 10.87327 
1 1 1    8    7   53 o   93.560   5.3139   59.678   6.7227   63.275   9.4209   55.946   9.5960   96.453   7.2077   90.666   7.8102 5.787407 10.62780 
1 1 1    8    7   54 o  103.411   5.1054   72.590   7.1368   65.705   9.8671   80.143   10.335   98.269   7.4095  108.553   7.0257 -10.28336 10.21079 
1 1 1    8    7   55 o  277.189   5.9117  504.382   20.586  475.084   24.521  574.349   37.893  264.302   6.8462  290.076   9.6397 -25.77405 11.82349 
1 1 1    8    7   56 o   92.402   11.438   58.480   14.322   58.480   14.322   0.0000   0.0000   92.402   11.438  ?   ?       ?      ? 
1 1 1    8    7   57 o  226.972   5.7388  346.614   16.526  338.700   20.001  363.639   29.337  223.157   6.6139  230.787   9.3804 -7.629791 11.47765 
1 1 1    8    7   58 o  133.581   4.8501  121.455   8.7750  126.277   12.427  116.660   12.392  136.236   6.7314  130.925   6.9845 5.310898 9.700272 
1 1 1    8    7   59 o  146.014   4.7937  145.118   9.4794  151.707   13.460  138.636   13.352  149.314   6.6523  142.714   6.9040 6.600693 9.587413 
1 1 1    8    7   60 o  331.067   5.2123  746.465   23.379  726.169   32.680  767.742   33.460  326.456   7.3870  335.678   7.3556 -9.222534 10.42467 
1 1 1    8    7   61 o  151.345   4.7700  156.007   9.7815  153.571   13.873  158.415   13.793  150.161   6.8178  152.528   6.6731 -2.366455 9.540055 
1 1 1    8    7   62 o  187.004   5.7512  237.019   13.725  244.278   23.983  233.484   16.736  188.873   9.3704  185.134   6.6709 3.739136 11.50238 
1 1 1    8    7   63 o  138.247   6.0236  131.133   10.617  129.596   18.391  131.901   13.002  137.410   9.8767  139.084   6.8983 -1.673904 12.04728 
1 1 1    8    7   64 o  130.103   4.9848  115.430   8.7606  128.412   12.611  103.322   12.179  137.202   6.7826  123.004   7.3067 14.19783 9.969537 
1 1 1    8    7   65 o  168.156   4.7375  192.847   10.791  201.018   15.486  185.137   15.044  171.623   6.6587  164.689   6.7407 6.933853 9.475034 
1 1 1    8    7   66 o  226.485   5.7952  349.189   16.794  359.713   29.176  343.974   20.538  228.581   9.4190  224.388   6.7542 4.193100 11.59039 
1 1 1    8    7   67 o  218.293   4.7756  325.840   14.127  326.032   20.013  325.649   19.945  218.355   6.7633  218.232   6.7442 0.1227722 9.551229 
1 1 1    8    7   68 o  104.913   5.4594   75.485   7.6979   89.098   11.163   63.143   10.629  114.007   7.2258   95.819   8.1859 18.18800 10.91886 
1 1 1    8    7   69 o   50.235   8.7476   18.504   5.9752   14.757   8.5127   22.144   8.3892   45.179   13.125   55.291   11.568 -10.11155 17.49523 
1 1 1    8    7   70 o  176.844   4.7493  214.475   11.374  225.492   16.254  203.903   15.922  181.326   6.6147  172.363   6.8167 8.962646 9.498513 
1 1 1    8    7   71 o   83.200   7.2500   47.286   7.8558   44.466   9.7189   52.600   13.343   80.018   8.9628   86.383   11.398 -6.365189 14.49997 
1 1 1    8    7   72 o  214.703   5.9791  326.337   16.292  339.472   20.077  301.009   27.879  222.133   6.6695  207.273   9.9254 14.85939 11.95814 
1 1 1    8    7   73 f  114.932   6.5970   94.941   9.5806  100.073   11.817   85.097   16.366  120.323   7.2472  109.542   11.025 10.78118 13.19395 
1 1 1    8    7   74 o   63.701   7.4521   29.146   6.2976   27.831   8.8702   30.481   8.9425   61.725   11.008   65.677   10.048 -3.951569 14.90411 
1 1 1    8    7   75 o  136.774   5.0125  129.677   9.2842  123.102   12.979  136.566   13.286  133.180   7.1917  140.369   6.9844 -7.188995 10.02506 
1 1 1    8    7   76 o   64.773   7.3915   30.486   6.2789   25.723   8.7931   35.442   8.9688   58.810   11.445   70.737   9.3564 -11.92706 14.78299 
1 1 1    8    7   77 o  121.735   6.2221  100.099   9.8427  121.715   17.044   89.283   12.056  130.647   9.6269  112.824   7.8856 17.82280 12.44422 
1 1 1    8    7   78 o   94.155   5.8643   62.353   7.4634   56.617   10.238   68.859   10.903   89.482   8.4429   98.828   8.1412 -9.345818 11.72867 
1 1 1    8    7   79 o   59.787   9.7148   27.645   7.3784   29.241   12.778   26.847   9.0371   60.003   15.578   59.571   11.612 0.4321556 19.42952 
1 1 1    8    7   80 o   52.917   10.144   22.163   7.1703   22.955   12.516   21.776   8.7480   52.814   16.060   53.021   12.397 -0.2070503 20.28860 
1 1 1    8    7   81 o   35.618   9.1626   7.6746   6.5964  -4.2798   10.971   14.444   8.2554   28.203   12.882   43.034   13.034 -14.83123 18.32519 
1 1 1    8    7   82 o   86.181   7.6026   55.172   8.4381   53.368   14.113   56.176   10.527   83.901   12.413   88.460   8.7814 -4.559189 15.20522 
1 1 1    8    7   83 o   47.538   10.410   17.213   7.1406   24.036   12.214   13.671   8.8012   53.360   15.785   41.715   13.577 11.64494 20.82100 
1 1 1    8    7   84 f   85.164   9.1718   56.302   10.577   53.443   14.781   59.301   15.141   82.775   13.177   87.552   12.761 -4.776497 18.34357 
1 1 1    8    7   85 o   43.877   9.6621   10.173   8.6344   32.138   12.267 -11.3966   12.156   61.807   14.834   25.948   12.384 35.85844 19.32423 
1 1 1    8    7   86 o   61.244   16.242   33.374   13.700   33.374   13.700   0.0000   0.0000   61.244   16.242  ?   ?       ?      ? 
1 1 1    8    7   87 o   55.880   16.598   28.881   13.484   28.881   13.484   0.0000   0.0000   55.880   16.598  ?   ?       ?      ? 
1 1 1    8    7   88 o   71.166   11.086   45.491   10.476   36.078   14.488   55.807   15.167   61.679   16.854   80.652   14.406 -18.97308 22.17182 
1 1 1    8    7   89 o   45.643   11.692   19.891   9.4933   14.661   13.200   25.494   13.663   40.758   16.123   50.529   16.936 -9.771015 23.38378 
1 1 1    8    7   90 o   33.891   14.880   5.9674   13.147   0.0000   0.0000   5.9674   13.147  ?   ?    33.891   14.880      ?      ? 
1 1 1    8    7   91 o   72.764   16.469   52.828   15.861   0.0000   0.0000   52.828   15.861  ?   ?    72.764   16.469      ?      ? 
1 1 1    8    8    0 o  693.328   8.2128  3260.71   77.161  3251.77  108.653  3269.81  109.598  692.372   11.580  694.284   11.649 -1.912842 16.42554 
1 1 1    8    8    1 o  549.369   8.3191  2056.84   58.648  2077.38   72.343  2017.46  100.174  553.493   9.6449  545.245   13.558 8.247986 16.63825 
1 1 1    8    8    2 o  1290.09   17.592 11184.78  286.727 10927.84  345.691 11751.25  513.284  1267.81   20.121  1312.36   28.862 -44.55115 35.18314 
1 1 1    8    8    3 o  782.341   11.110  4126.36  110.538  4071.95  134.361  4240.31  194.442  774.689   12.799  789.992   18.163 -15.30383 22.21921 
1 1 1    8    8    4 o  315.203   5.8501  668.266   23.572  657.870   28.778  689.461   41.091  311.536   6.8167  318.870   9.5092 -7.333679 11.70011 
1 1 1    8    8    5 o  330.316   6.0463  748.356   25.658  767.853   31.824  712.142   43.373  336.569   6.9775  324.063   9.8765 12.50595 12.09261 
1 1 1    8    8    6 o  307.822   5.8253  645.009   22.960  650.480   28.243  634.349   39.424  309.783   6.7279  305.860   9.5117 3.923462 11.65064 
1 1 1    8    8    7 f  481.777   6.2074  1573.70   40.524  1571.79   56.992  1575.65   57.633  481.483   8.7347  482.071   8.8222 -0.5877686 12.41476 
1 1 1    8    8    8 o  920.998   10.503  5755.91  131.051  5654.20  182.954  5863.09  187.810  912.652   14.793  929.344   14.913 -16.69153 21.00531 
1 1 1    8    8    9 o  188.073   5.0634  231.602   10.601  225.753   11.893  254.216   23.386  182.514   4.8085  193.632   8.9123 -11.11754 10.12676 
1 1 1    8    8   10 o  996.814   13.068  6688.96  151.223  6630.09  173.359  6876.33  309.284  988.479   12.942  1005.15   22.706 -16.67114 26.13547 
1 1 1    8    8   11 o  627.740   8.7851  2644.44   63.766  2618.12   72.937  2729.80  131.354  621.404   8.6615  634.076   15.287 -12.67200 17.57018 
1 1 1    8    8   12 o  592.596   8.4283  2368.83   57.938  2356.22   66.444  2408.86  118.354  589.516   8.3173  595.676   14.662 -6.159729 16.85665 
1 1 1    8    8   13 o  274.679   5.4115  484.446   16.686  464.808   18.719  560.421   36.818  261.881   5.2746  287.477   9.4508 -25.59512 10.82308 
1 1 1    8    8   14 o  817.435   10.951  4497.92  103.922  4461.02  119.144  4615.29  212.484  810.959   10.842  823.910   19.031 -12.95032 21.90255 
1 1 1    8    8   15 o  923.818   12.212  5755.69  131.153  5714.67  150.510  5885.10  267.338  917.716   12.102  929.921   21.214 -12.20502 24.42384 
1 1 1    8    8   16 o  656.970   9.1465  2958.12   70.583  2987.65   81.755  2871.70  139.874  663.752   9.0892  650.187   15.875 13.56525 18.29296 
1 1 1    8    8   17 o  259.138   5.3384  455.787   15.886  456.237   18.162  454.321   32.773  259.453   5.1656  258.824   9.3440 0.6282654 10.67680 
1 1 1    8    8   18 o  287.266   5.4963  556.061   18.164  553.014   20.751  566.049   37.571  285.643   5.3607  288.889   9.5969 -3.246429 10.99268 
1 1 1    8    8   19 o  114.400   5.2232   84.991   6.8030   82.037   7.6850   95.689   14.626  110.018   5.1547  118.782   9.0862 -8.764412 10.44649 
1 1 1    8    8   20 o  106.518   5.9376   80.314   7.7236   85.379   9.2854   68.941   13.914  112.229   6.1054  100.807   10.186 11.42120 11.87528 
1 1 1    8    8   21 o  218.139   6.0969  322.568   18.023  322.568   18.023   0.0000   0.0000  218.139   6.0969  ?   ?       ?      ? 
1 1 1    8    8   22 o  308.547   4.8365  645.503   20.221  654.547   28.566  636.422   28.626  310.715   6.7844  306.379   6.8948 4.335266 9.672954 
1 1 1    8    8   24 o  402.924   6.8452  1108.68   35.347  1079.09   60.413  1124.08   43.585  398.721   11.181  407.128   7.9000 -8.406738 13.69035 
1 1 1    8    8   25 o  513.235   9.2338  1787.05   64.222   0.0000   0.0000  1787.05   64.222  ?   ?   513.235   9.2338      ?      ? 
1 1 1    8    8   26 o  468.343   7.4458  1482.79   44.660  1507.24   77.279  1470.53   54.724  471.099   12.105  465.588   8.6734 5.510712 14.89164 
1 1 1    8    8   27 o  685.396   8.1563  3190.06   75.755  3215.76  107.385  3164.59  106.883  688.146   11.515  682.645   11.554 5.501221 16.31254 
1 1 1    8    8   28 o  372.172   5.3233  939.549   26.846  948.962   37.863  930.034   38.069  374.049   7.4697  370.294   7.5866 3.755096 10.64670 
1 1 1    8    8   29 o  940.833   10.743  6024.28  136.966  6066.94  194.301  5982.15  193.101  944.145   15.186  937.521   15.199 6.624023 21.48589 
1 1 1    8    8   30 o  769.464   8.9999  4024.67   93.837  4086.09  133.668  3964.98  131.763  775.253   12.723  763.675   12.732 11.57788 17.99977 
1 1 1    8    8   31 o  653.998   7.8581  2904.62   69.625  2984.85   99.770  2828.45   97.209  662.798   11.108  645.198   11.118 17.60010 15.71622 
1 1 1    8    8   32 o  465.967   6.1123  1472.83   38.582  1527.94   55.340  1420.72   53.817  474.445   8.6074  457.489   8.6807 16.95581 12.22467 
1 1 1    8    8   33 o  413.503   6.9141  1161.78   36.481  1162.44   44.637  1160.45   63.310  413.854   7.9592  413.151   11.308 0.7026062 13.82812 
1 1 1    8    8   34 o  561.501   8.5271  2122.71   60.717  2082.87   73.515  2208.20  107.692  553.690   9.7978  569.312   13.959 -15.62219 17.05429 
1 1 1    8    8   35 o  308.639   6.9737  646.393   29.167   0.0000   0.0000  646.393   29.167  ?   ?   308.639   6.9737      ?      ? 
1 1 1    8    8   36 o  277.897   4.6755  524.146   17.601  530.247   24.658  517.808   25.132  279.553   6.5090  276.242   6.7137 3.310699 9.350967 
1 1 1    8    8   37 o  219.479   4.3953  326.679   13.065  322.567   18.131  331.121   18.844  218.046   6.1361  220.911   6.2945 -2.864685 8.790504 
1 1 1    8    8   38 o  439.814   5.9002  1313.71   35.157  1299.93   49.075  1328.24   50.390  437.454   8.2783  442.175   8.4094 -4.720306 11.80035 
1 1 1    8    8   39 o  326.927   6.1871  717.482   25.455  702.883   30.600  750.281   45.866  321.770   7.0177  332.085   10.192 -10.31583 12.37429 
1 1 1    8    8   40 o  156.980   4.3546  167.089   9.2542  164.180   12.761  170.316   13.440  155.544   6.0542  158.415   6.2606 -2.871216 8.709109 
1 1 1    8    8   41 o  458.466   6.0800  1428.87   37.772  1443.94   53.407  1413.79   53.430  460.894   8.5509  456.039   8.6457 4.854889 12.16000 
1 1 1    8    8   42 o  278.072   4.7180  525.081   17.774  528.475   24.901  521.557   25.378  278.996   6.5863  277.149   6.7571 1.846771 9.435972 
1 1 1    8    8   43 o  290.051   4.8049  570.116   18.866  542.848   25.979  600.539   27.441  282.730   6.7807  297.372   6.8095 -14.64154 9.609735 
1 1 1    8    8   44 o  305.450   4.9047  633.716   20.300  631.943   28.476  635.549   28.946  305.020   6.8892  305.879   6.9831 -0.8587341 9.809474 
1 1 1    8    8   45 o  234.545   5.5429  369.509   16.677  387.798   28.973  360.447   20.395  238.714   8.9563  230.377   6.5329 8.336929 11.08573 
1 1 1    8    8   46 o  104.149   7.1375   73.711   10.074   0.0000   0.0000   73.711   10.074  ?   ?   104.149   7.1375      ?      ? 
1 1 1    8    8   47 o  366.833   6.5104  904.055   30.541  953.702   53.450  879.989   37.214  373.917   10.549  359.749   7.6334 14.16840 13.02082 
1 1 1    8    8   48 o  143.542   4.5622  139.708   8.8627  130.209   12.262  150.098   12.824  138.438   6.5362  148.646   6.3665 -10.20790 9.124378 
1 1 1    8    8   49 o  194.464   6.2472  257.277   16.453  248.801   22.811  266.468   23.755  191.132   8.8071  197.796   8.8624 -6.663300 12.49430 
1 1 1    8    8   50 o  374.655   6.6668  950.822   31.806  939.205   38.724  974.906   55.758  371.546   7.6911  377.764   10.892 -6.218475 13.33360 
1 1 1    8    8   51 o  177.282   5.5935  210.001   12.548  203.303   15.118  224.828   22.494  172.958   6.4504  181.607   9.1401 -8.649445 11.18700 
1 1 1    8    8   52 o  313.952   10.150  673.074   43.182  673.074   43.182   0.0000   0.0000  313.952   10.150  ?   ?       ?      ? 
1 1 1    8    8   53 o  157.260   5.6538  166.963   11.406  163.990   13.972  172.905   19.749  155.301   6.6391  159.218   9.1533 -3.916504 11.30757 
1 1 1    8    8   54 o  122.070   5.0497  101.779   8.2969  115.848   11.771   87.887   11.696  130.520   6.6552  113.620   7.5964 16.89931 10.09936 
1 1 1    8    8   55 o  227.377   4.6589  351.734   14.350  360.838   20.222  342.499   20.366  230.355   6.4779  224.398   6.6975 5.957581 9.317740 
1 1 1    8    8   56 o  161.739   4.6644  177.593   10.212  166.724   14.117  189.523   14.790  156.553   6.6541  166.925   6.5384 -10.37236 9.328839 
1 1 1    8    8   57 o  120.779   6.0272   95.372   9.2488   88.323   11.096  111.415   16.739  113.893   7.1895  127.665   9.6758 -13.77234 12.05443 
1 1 1    8    8   58 o   87.749   5.7849   52.582   6.8714   54.479   9.6206   50.607   9.8175   89.383   7.9426   86.115   8.4128 3.267715 11.56979 
1 1 1    8    8   59 o   89.681   5.8256   54.878   7.0638   50.040   9.8616   59.975   10.123   85.602   8.5012   93.760   7.9673 -8.157814 11.65112 
1 1 1    8    8   60 o  192.959   4.6960  253.594   12.274  263.670   17.438  243.701   17.279  196.773   6.5397  189.145   6.7411 7.627716 9.392045 
1 1 1    8    8   61 o  177.392   4.7239  214.481   11.351  221.647   16.073  207.349   16.034  180.365   6.5759  174.419   6.7835 5.945419 9.447719 
1 1 1    8    8   62 o   89.903   7.6973   58.802   8.4651   47.886   14.907   63.997   10.284   83.041   13.247   96.765   7.8426 -13.72373 15.39466 
1 1 1    8    8   63 o  138.751   6.9377  131.427   13.045   0.0000   0.0000  131.427   13.045  ?   ?   138.751   6.9377      ?      ? 
1 1 1    8    8   64 o  208.706   4.7555  296.966   13.437  314.946   19.419  280.448   18.613  214.770   6.6722  202.641   6.7779 12.12830 9.510978 
1 1 1    8    8   65 o   83.021   6.1957   47.446   6.9601   46.086   10.026   48.711   9.6696   81.832   9.0413   84.210   8.4735 -2.377335 12.39133 
1 1 1    8    8   66 o   45.980   9.2385   15.293   6.0829   12.705   8.8265   17.633   8.3948   42.696   13.568   49.264   12.542 -6.568047 18.47694 
1 1 1    8    8   67 o  135.768   4.9862  126.376   9.1601  117.465   12.848  135.589   13.063  130.856   7.2454  140.680   6.8523 -9.824127 9.972457 
1 1 1    8    8   68 o  102.231   6.7150   73.772   8.8092   76.822   10.978   68.256   14.763  105.664   7.6666   98.797   11.027 6.867386 13.42993 
1 1 1    8    8   69 f   85.146   7.3051   50.442   8.0502   49.922   9.9891   51.405   13.597   84.902   8.6821   85.389   11.751 -0.4866562 14.61023 
1 1 1    8    8   70 o  188.936   4.7988  245.462   12.283  237.626   17.260  253.504   17.485  185.853   6.8530  192.018   6.7194 -6.164963 9.597561 
1 1 1    8    8   71 o   75.232   6.7371   39.686   6.8410   43.816   9.7015   35.602   9.6481   79.254   9.0330   71.211   9.9980 8.043755 13.47424 
1 1 1    8    8   72 o  172.540   4.8490  205.036   11.312  186.659   15.629  225.254   16.394  164.364   7.0171  180.715   6.6942 -16.35185 9.697984 
1 1 1    8    8   73 o   65.839   9.4141   34.148   7.6465   37.653   9.2986   26.831   13.438   73.134   9.3825   58.545   16.324 14.58871 18.82827 
1 1 1    8    8   74 o  110.283   5.4168   84.884   8.0802   90.331   11.394   79.373   11.460  113.958   7.3781  106.608   7.9328 7.350395 10.83361 
1 1 1    8    8   75 o   56.077   8.4003   23.644   6.1829   24.022   8.6204   23.244   8.8729   56.657   11.618   55.497   12.136 1.159946 16.80057 
1 1 1    8    8   76 o   62.234   7.5842   28.193   6.2510   25.755   8.5153   31.042   9.2056   58.795   11.094   65.672   10.344 -6.877338 15.16838 
1 1 1    8    8   77 o  113.779   7.5745   90.863   11.679   0.0000   0.0000   90.863   11.679  ?   ?   113.779   7.5745      ?      ? 
1 1 1    8    8   78 o  127.070   7.3420  113.334   12.643   0.0000   0.0000  113.334   12.643  ?   ?   127.070   7.3420      ?      ? 
1 1 1    8    8   79 o   53.851   10.157   22.730   7.3048   25.456   12.330   21.255   9.0676   55.611   15.683   52.090   12.911 3.521267 20.31324 
1 1 1    8    8   80 f   92.860   7.5486   65.479   8.8076   56.472   14.886   70.331   10.925   86.239   12.738   99.481   8.1040 -13.24252 15.09723 
1 1 1    8    8   81 o   60.349   11.114   30.584   9.2114   33.130   12.739   27.793   13.335   63.517   15.033   57.181   16.374 6.335823 22.22873 
1 1 1    8    8   82 o   66.777   10.679   36.438   9.4751   29.043   12.785   45.447   14.112   58.596   15.759   74.958   14.417 -16.36134 21.35823 
1 1 1    8    8   83 o   43.044   10.603   11.929   8.5137   0.6191   11.437   25.982   12.750   31.277   13.800   54.811   16.102 -23.53457 21.20697 
1 1 1    8    8   84 o   38.595   10.778   10.235   8.4237   12.772   11.337   7.1075   12.586   40.660   15.235   36.530   15.251 4.130241 21.55662 
1 1 1    8    8   85 o   67.177   10.495   37.557   9.8451   21.593   13.160   57.848   14.837   48.959   16.620   85.395   12.821 -36.43639 20.99078 
1 1 1    8    8   86 o   25.468   8.5504  -9.5432   8.0569  -4.9489   11.298 -14.2975   11.493   27.297   12.683   23.640   11.471 3.657236 17.10082 
1 1 1    8    8   87 o   37.304   15.355   9.8970   12.507   9.8970   12.507   0.0000   0.0000   37.304   15.355  ?   ?       ?      ? 
1 1 1    8    8   88 o   59.404   11.755   34.406   9.8873   30.612   13.830   38.372   14.140   55.466   16.886   63.342   16.359 -7.875374 23.51058 
1 1 1    8    8   89 o   72.462   10.951   50.832   10.856   32.783   15.494   68.240   15.216   54.672   18.025   90.252   12.441 -35.58023 21.90207 
1 1 1    8    8   90 o   47.360   11.533   24.127   9.4641   16.580   13.935   30.588   12.894   40.412   16.368   54.307   16.254 -13.89568 23.06700 
1 1 1    8    9    0 o  791.763   9.2052  4253.18   98.753  4200.42  138.264  4308.12  141.095  786.757   12.968  796.770   13.068 -10.01337 18.41033 
1 1 1    8    9    1 o  718.711   8.4804  3500.91   82.547  3400.78  114.356  3609.83  119.276  707.999   11.919  729.424   12.067 -21.42517 16.96090 
1 1 1    8    9    2 o  484.398   6.2624  1590.73   41.103  1625.85   58.516  1556.51   57.748  489.677   8.8182  479.118   8.8943 10.55899 12.52476 
1 1 1    8    9    3 f  391.004   6.8364  1042.69   33.802  1053.43   41.109  1020.27   59.393  394.192   7.6957  387.816   11.301 6.376434 13.67271 
1 1 1    8    9    4 o  931.796   13.074  5872.00  154.644  5817.43  187.831  5986.82  272.458  925.622   14.974  937.971   21.435 -12.34906 26.14767 
1 1 1    8    9    5 o  690.309   16.573  3237.21  155.036   0.0000   0.0000  3237.21  155.036  ?   ?   690.309   16.573      ?      ? 
1 1 1    8    9    6 o  354.699   6.4320  846.023   28.683  834.346   34.503  872.151   51.611  350.822   7.2574  358.578   10.621 -7.755951 12.86404 
1 1 1    8    9    7 o  279.001   4.6909  527.925   17.726  546.106   24.994  509.528   25.142  283.839   6.4980  274.164   6.7672 9.675171 9.381861 
1 1 1    8    9    8 o  114.626   4.4953   88.732   6.9689   83.727   9.4994   94.564   10.255  111.140   6.3073  118.113   6.4069 -6.973572 8.990581 
1 1 1    8    9    9 o  513.220   6.5215  1785.76   45.347  1762.78   63.382  1809.86   64.907  509.841   9.1739  516.599   9.2716 -6.757843 13.04306 
1 1 1    8    9   10 o  436.771   6.8307  1279.66   34.348  1267.18   39.212  1320.83   71.204  432.354   6.6926  441.187   11.910 -8.832733 13.66130 
1 1 1    8    9   11 o  281.472   5.6438  552.712   18.259  567.332   21.024  507.850   36.830  289.317   5.3625  273.627   9.9325 15.69040 11.28760 
1 1 1    8    9   12 o  391.055   6.3827  1014.86   28.534  996.340   32.409  1078.71   60.179  383.383   6.2381  398.728   11.137 -15.34433 12.76547 
1 1 1    8    9   13 o  150.912   5.2290  153.571   8.7798  152.946   9.8971  155.879   19.022  150.222   4.8617  151.601   9.2593 -1.379196 10.45806 
1 1 1    8    9   14 o  206.418   5.2773  296.741   12.344  303.547   14.113  274.595   25.459  211.628   4.9212  201.208   9.3372 10.42056 10.55465 
1 1 1    8    9   15 o  638.818   8.9465  2770.62   66.648  2770.70   76.729  2770.38  134.509  639.158   8.8587  638.478   15.546 0.6793213 17.89302 
1 1 1    8    9   16 o  140.418   5.3903  136.984   8.4283  139.576   9.5604  127.943   17.856  143.503   4.9162  137.333   9.5944 6.169739 10.78063 
1 1 1    8    9   17 o  406.864   6.9393  1114.29   35.683  1099.07   43.118  1147.35   63.562  402.583   7.9036  411.145   11.408 -8.561310 13.87855 
1 1 1    8    9   18 o  367.733   10.826  917.728   53.951   0.0000   0.0000  917.728   53.951  ?   ?   367.733   10.826      ?      ? 
1 1 1    8    9   19 o  448.245   8.4826  1364.07   51.515  1403.72   73.188  1325.14   72.521  454.709   11.878  441.781   12.114 12.92819 16.96516 
1 1 1    8    9   20 o  379.519   7.6938  976.835   39.543  957.305   54.741  998.148   57.184  375.562   10.756  383.475   11.004 -7.912720 15.38757 
1 1 1    8    9   21 o  197.997   6.3376  266.366   16.977  280.781   23.836  251.525   24.185  203.450   8.6455  192.543   9.2691 10.90733 12.67519 
1 1 1    8    9   22 o  458.357   7.0726  1423.12   37.649  1420.59   43.238  1431.06   76.560  457.707   6.9710  459.008   12.308 -1.301453 14.14529 
1 1 1    8    9   23 o  378.650   6.6661  964.539   31.788  950.519   38.286  995.652   57.033  374.362   7.5468  382.938   10.991 -8.575684 13.33214 
1 1 1    8    9   24 o  340.105   5.1029  784.062   23.507  819.627   33.643  750.136   32.859  347.640   7.1414  332.570   7.2910 15.06998 10.20574 
1 1 1    8    9   25 o  160.748   4.3559  175.577   9.4546  193.294   13.400  158.015   13.342  168.845   5.8565  152.650   6.4495 16.19489 8.711752 
1 1 1    8    9   26 o  108.690   4.7855   80.474   6.9935   92.547   9.9294   68.590   9.8515  116.823   6.2721  100.559   7.2294 16.26411 9.570970 
1 1 1    8    9   27 o  148.946   4.3576  150.322   8.7916  146.208   12.216  154.742   12.663  146.834   6.1393  151.058   6.1858 -4.223541 8.715184 
1 1 1    8    9   28 f  396.927   5.5396  1068.87   29.792  1097.89   42.420  1040.63   41.850  402.245   7.7821  391.608   7.8860 10.63745 11.07929 
1 1 1    8    9   29 o  245.756   5.4157  398.802   16.932  379.333   20.428  441.529   30.264  236.489   6.3744  255.024   8.7571 -18.53528 10.83145 
1 1 1    8    9   30 o  337.727   10.097  774.971   46.211   0.0000   0.0000  774.971   46.211  ?   ?   337.727   10.097      ?      ? 
1 1 1    8    9   31 o  150.692   4.3857  154.358   8.9348  165.108   12.560  143.346   12.713  156.022   5.9406  145.363   6.4535 10.65855 8.771449 
1 1 1    8    9   32 o  155.099   4.3810  162.996   9.1969  159.542   12.646  166.874   13.399  153.360   6.0851  156.838   6.3044 -3.477524 8.762074 
1 1 1    8    9   33 o  409.407   5.6610  1138.11   31.405  1139.31   44.138  1136.89   44.693  409.630   7.9514  409.184   8.0601 0.4465027 11.32208 
1 1 1    8    9   34 o  387.340   5.4726  1018.70   28.722  1018.17   40.305  1019.23   40.941  387.245   7.6806  387.435   7.7978 -0.1893921 10.94521 
1 1 1    8    9   35 o  196.412   4.3771  260.979   11.633  246.631   15.936  277.344   17.019  190.652   6.1681  202.172   6.2121 -11.52063 8.754162 
1 1 1    8    9   36 o  363.939   5.2992  899.142   26.124  936.583   37.283  863.026   36.616  371.389   7.4079  356.489   7.5796 14.90018 10.59842 
1 1 1    8    9   37 o  325.237   6.2039  707.008   25.314  688.091   30.309  750.640   46.030  318.349   7.0256  332.124   10.227 -13.77573 12.40776 
1 1 1    8    9   38 f  343.409   6.3707  794.862   27.611  782.876   33.316  821.150   49.340  339.527   7.2409  347.293   10.484 -7.765900 12.74132 
1 1 1    8    9   39 f   89.036   5.2403   53.277   6.2444   42.558   8.4078   66.463   9.3252   79.141   7.8396   98.931   6.9557 -19.78928 10.48056 
1 1 1    8    9   40 o  231.704   6.4576  364.499   20.276   0.0000   0.0000  364.499   20.276  ?   ?   231.704   6.4576      ?      ? 
1 1 1    8    9   41 o  321.728   5.0168  702.678   21.863  688.077   30.379  718.365   31.488  318.269   7.0437  325.186   7.1456 -6.917542 10.03356 
1 1 1    8    9   42 o  211.479   5.3682  300.023   14.647  316.732   25.175  291.472   18.010  215.779   8.6094  207.178   6.4147 8.600967 10.73636 
1 1 1    8    9   43 o  185.123   5.3353  232.518   12.795  234.417   21.565  231.487   15.895  185.620   8.5733  184.627   6.3529 0.9925995 10.67058 
1 1 1    8    9   44 o  161.219   4.4892  176.268   9.8004  168.545   13.567  184.696   14.172  157.531   6.3553  164.907   6.3419 -7.375977 8.978307 
1 1 1    8    9   45 o  303.882   6.0676  630.938   23.639  621.062   40.476  636.050   29.122  301.844   9.8954  305.921   7.0247 -4.076813 12.13524 
1 1 1    8    9   46 o  147.086   4.5652  146.934   9.0978  144.198   12.728  149.791   13.009  145.687   6.4471  148.485   6.4651 -2.797546 9.130347 
1 1 1    8    9   47 o  168.493   5.5992  192.288   11.933  190.719   14.451  195.652   21.157  167.543   6.3647  169.443   9.2138 -1.899673 11.19836 
1 1 1    8    9   48 o  205.321   6.5072  287.606   18.081  304.794   25.565  270.405   25.575  211.501   8.9196  199.141   9.4769 12.36011 13.01432 
1 1 1    8    9   49 f  247.445   5.7122  415.708   18.085  413.379   22.156  420.359   31.304  246.602   6.6300  248.287   9.3038 -1.685577 11.42450 
1 1 1    8    9   50 o  165.307   5.5408  185.964   11.704  185.838   14.338  186.216   20.262  165.352   6.3986  165.262   9.0476 0.9001160E-01 11.08156 
1 1 1    8    9   51 o  197.150   4.5790  264.260   12.232  265.594   17.172  262.886   17.427  197.661   6.4108  196.638   6.5399 1.023178 9.157974 
1 1 1    8    9   52 o  142.150   4.8091  137.297   9.2569  130.125   12.884  144.951   13.309  138.310   6.8739  145.989   6.7274 -7.678925 9.618142 
1 1 1    8    9   53 o  140.516   5.6599  132.419   10.368  142.123   17.471  127.144   12.881  144.333   8.9324  136.700   6.9533 7.633438 11.31970 
1 1 1    8    9   54 o  172.354   5.6144  199.953   12.435  194.835   15.234  210.172   21.528  169.236   6.6425  175.473   9.0532 -6.236206 11.22870 
1 1 1    8    9   55 o   93.349   5.6732   59.958   7.0950   69.313   9.9427   50.252   10.128  100.888   7.2724   85.810   8.7094 15.07822 11.34643 
1 1 1    8    9   56 o  145.175   5.9351  144.262   10.856  145.032   13.149  142.613   19.241  145.977   6.6469  144.373   9.8347 1.604507 11.87022 
1 1 1    8    9   57 o   71.433   8.5065   36.256   7.5370   37.418   9.2950   34.027   12.879   73.968   9.2730   68.898   14.264 5.070488 17.01290 
1 1 1    8    9   58 o   69.271   6.8364   33.065   6.3433   39.095   9.0229   27.173   8.9194   75.617   8.8053   62.925   10.460 12.69202 13.67275 
1 1 1    8    9   59 o   89.747   5.8835   55.080   7.1410   59.648   10.176   50.649   10.024   93.441   8.0362   86.054   8.5955 7.387459 11.76704 
1 1 1    8    9   60 o  147.224   5.9178  147.906   11.184  149.558   19.219  147.060   13.753  147.617   9.6077  146.832   6.9118 0.7845764 11.83559 
1 1 1    8    9   61 o   56.440   9.8393   22.966   7.1906   22.940   12.414   22.979   8.8211   56.270   15.690   56.609   11.878 -0.3384857 19.67866 
1 1 1    8    9   62 o  205.879   5.9626  302.350   15.616  253.080   25.847  330.675   19.598  191.653   9.9520  220.106   6.5704 -28.45268 11.92529 
1 1 1    8    9   63 o  192.011   5.9453  257.145   14.548  240.872   24.846  265.634   17.945  186.858   9.8121  197.164   6.7165 -10.30545 11.89066 
1 1 1    8    9   64 o  293.356   5.0744  589.339   20.171  600.719   28.627  578.117   28.426  296.188   7.1321  290.525   7.2202 5.663330 10.14881 
1 1 1    8    9   65 f   54.653   8.3964   21.630   6.2941   31.206   8.9755   12.364   8.8286   67.114   9.8688   42.193   13.587 24.92067 16.79285 
1 1 1    8    9   66 o  212.963   5.7575  309.398   15.730  302.963   19.267  322.263   27.242  210.227   6.7630  215.699   9.3198 -5.472504 11.51507 
1 1 1    8    9   67 o   67.843   6.9242   32.041   6.3637   33.051   9.0166   31.039   8.9829   68.934   9.6522   66.752   9.9304 2.181953 13.84834 
1 1 1    8    9   68 o   96.994   5.5883   65.017   7.3434   66.069   10.330   63.942   10.441   97.813   7.7934   96.174   8.0111 1.638962 11.17658 
1 1 1    8    9   69 o   66.372   7.3084   31.547   6.3492   36.513   8.9734   26.568   8.9849   72.357   9.1515   60.387   11.397 11.96965 14.61676 
1 1 1    8    9   70 o   53.474   8.4084   20.906   6.1316   14.646   8.5630   27.493   8.7840   44.537   13.226   62.411   10.386 -17.87333 16.81672 
1 1 1    8    9   71 o   41.811   9.0465   12.557   5.8089   17.172   8.2593   8.0388   8.1716   47.881   12.569   35.741   13.014 12.13980 18.09297 
1 1 1    8    9   72 o   54.842   8.5250   22.428   6.1827   18.397   8.5394   26.869   8.9634   49.357   12.695   60.328   11.381 -10.97075 17.05001 
1 1 1    8    9   73 o   72.755   8.9197   40.070   7.9391   41.546   9.7036   37.080   13.807   76.596   9.3485   68.914   15.194 7.682335 17.83948 
1 1 1    8    9   74 o   71.105   8.6339   36.455   7.8373   41.905   13.218   33.501   9.7325   73.988   13.688   68.223   10.527 5.764801 17.26778 
1 1 1    8    9   75 o  123.962   6.3560  106.372   10.184  118.835   17.590  100.089   12.490  128.520   10.100  119.403   7.7193 9.117470 12.71197 
1 1 1    8    9   76 o   46.439   10.280   16.953   7.0844   15.753   11.777   17.633   8.8683   45.322   15.712   47.555   13.262 -2.233231 20.56027 
1 1 1    8    9   77 o   56.321   9.9633   26.116   7.4941   21.320   12.587   28.749   9.3277   51.057   16.200   61.584   11.603 -10.52684 19.92650 
1 1 1    8    9   78 o   63.957   11.560   31.063   9.6501   0.0000   0.0000   31.063   9.6501  ?   ?    63.957   11.560      ?      ? 
1 1 1    8    9   79 o   62.463   10.776   32.364   9.0625   35.282   12.308   28.910   13.393   66.406   14.112   58.520   16.290 7.886120 21.55267 
1 1 1    8    9   80 o   59.394   10.034   26.393   9.0066   10.427   11.831   48.401   13.890   39.410   15.362   79.378   12.913 -39.96830 20.06824 
1 1 1    8    9   81 o   57.626   11.443   28.736   9.3598   31.328   12.736   25.691   13.802   61.038   15.398   54.214   16.932 6.824551 22.88665 
1 1 1    8    9   82 o   51.966   11.545   23.488   9.0298   22.478   12.191   24.716   13.440   51.023   15.910   52.909   16.735 -1.885723 23.09097 
1 1 1    8    9   83 o   42.530   10.941   14.349   8.6680   20.677   11.692   6.6268   12.916   48.779   15.628   36.282   15.316 12.49755 21.88232 
1 1 1    8    9   84 o   33.861   10.288   2.8944   8.6387  -3.2664   11.474   10.958   13.126   28.517   13.080   39.204   15.883 -10.68633 20.57627 
1 1 1    8    9   85 o   80.678   10.650   56.242   11.242   41.844   15.528   72.102   16.298   66.797   17.086   94.560   12.719 -27.76344 21.30038 
1 1 1    8    9   86 o   42.090   11.050   14.345   9.1805   25.068   13.051   3.8420   12.916   50.933   16.532   33.248   14.668 17.68577 22.10063 
1 1 1    8    9   87 o   20.980   10.394 -19.7973   11.093 -19.7973   11.093   0.0000   0.0000   20.980   10.394  ?   ?       ?      ? 
1 1 1    8    9   88 o   35.741   10.688   8.9836   9.1066   3.5887   12.755   14.594   13.006   31.957   14.307   39.525   15.882 -7.567989 21.37560 
1 1 1    8   10    0 o  1016.36   11.526  7017.43  158.708  6882.68  221.318  7160.08  227.711  1006.34   16.229  1026.39   16.372 -20.05243 23.05230 
1 1 1    8   10    1 o  223.659   4.5277  338.992   13.717  335.443   19.082  342.786   19.732  222.450   6.3301  224.869   6.4752 -2.419174 9.055317 
1 1 1    8   10    2 o  536.491   6.7689  1952.18   49.208  1980.34   69.867  1924.45   69.318  540.333   9.5418  532.649   9.6034 7.683228 13.53775 
1 1 1    8   10    3 o  738.774   8.7013  3704.64   87.109  3691.42  122.610  3718.12  123.781  737.447   12.269  740.102   12.342 -2.655090 17.40259 
1 1 1    8   10    4 o  408.372   5.6544  1130.90   31.289  1135.63   44.020  1126.06   44.482  409.239   7.9377  407.506   8.0550 1.732819 11.30884 
1 1 1    8   10    5 o  766.852   8.9834  3989.98   93.325  4101.10  133.971  3885.21  130.078  777.217   12.720  756.487   12.689 20.73016 17.96674 
1 1 1    8   10    6 o  202.092   4.4144  276.750   12.080  274.219   16.718  279.515   17.473  201.127   6.1339  203.057   6.3500 -1.929657 8.828763 
1 1 1    8   10    7 o  587.531   7.2298  2341.50   57.556  2390.23   82.069  2294.35   80.740  593.545   10.203  581.516   10.246 12.02905 14.45968 
1 1 1    8   10    8 o  257.875   4.6136  450.701   16.117  446.269   22.448  455.416   23.153  256.569   6.4564  259.182   6.5921 -2.612976 9.227179 
1 1 1    8   10    9 o  310.729   4.9305  654.755   20.757  669.036   29.310  640.388   29.399  314.131   6.8853  307.327   7.0591 6.804077 9.860936 
1 1 1    8   10   10 o  343.979   7.7615  802.365   36.179  802.365   36.179   0.0000   0.0000  343.979   7.7615  ?   ?       ?      ? 
1 1 1    8   10   11 o  292.868   5.6921  581.806   19.105  581.914   21.820  581.452   39.551  292.996   5.4954  292.740   9.9701 0.2563782 11.38429 
1 1 1    8   10   12 o  169.065   9.4307  193.912   21.606   0.0000   0.0000  193.912   21.606  ?   ?   169.065   9.4307      ?      ? 
1 1 1    8   10   13 o  427.517   7.2183  1249.31   39.055  1266.03   47.572  1214.74   68.399  432.055   8.1252  422.980   11.933 9.074707 14.43650 
1 1 1    8   10   14 o  443.596   7.3376  1319.91   40.843  1295.08   48.993  1376.47   73.949  436.967   8.2737  450.225   12.121 -13.25726 14.67520 
1 1 1    8   10   15 o  239.019   5.7279  385.736   16.935  383.221   20.149  391.787   31.254  237.748   6.2541  240.291   9.5981 -2.543442 11.45586 
1 1 1    8   10   16 f  314.174   5.8256  658.773   20.901  649.790   23.753  689.579   43.986  309.598   5.6617  318.751   10.183 -9.153534 11.65119 
1 1 1    8   10   17 o  502.940   7.5492  1720.89   44.134  1724.40   50.757  1710.00   89.357  504.243   7.4280  501.636   13.145 2.607300 15.09843 
1 1 1    8   10   18 o  304.107   5.7585  620.794   20.093  615.119   22.908  639.727   41.840  301.219   5.6120  306.996   10.057 -5.776825 11.51709 
1 1 1    8   10   19 o  327.067   5.9071  711.548   22.103  699.633   25.122  752.378   46.505  321.236   5.7709  332.899   10.309 -11.66290 11.81414 
1 1 1    8   10   20 o  407.727   6.5830  1101.31   30.689  1078.88   34.844  1178.89   64.807  398.872   6.4463  416.582   11.480 -17.70932 13.16599 
1 1 1    8   10   21 o  200.496   5.4205  276.382   12.314  279.490   14.036  265.997   25.659  203.044   5.1013  197.948   9.5657 5.095840 10.84090 
1 1 1    8   10   22 o  742.371   10.144  3676.39   86.704  3611.45   98.821  3893.55  180.717  729.271   9.9995  755.471   17.652 -26.20020 20.28769 
1 1 1    8   10   23 o  567.616   8.2419  2152.21   53.714  2119.77   61.178  2261.34  112.222  558.907   8.0774  576.325   14.369 -17.41809 16.48373 
1 1 1    8   10   24 o  321.682   5.7759  701.716   25.178  701.716   25.178   0.0000   0.0000  321.682   5.7759  ?   ?       ?      ? 
1 1 1    8   10   25 o  261.510   5.3624  463.720   19.003  463.720   19.003   0.0000   0.0000  261.510   5.3624  ?   ?       ?      ? 
1 1 1    8   10   26 o  300.003   6.1515  622.593   23.421  645.642   28.789  577.481   40.275  308.486   6.8866  291.521   10.195 16.96509 12.30300 
1 1 1    8   10   27 o  318.205   4.9795  687.124   21.470  698.881   30.352  675.350   30.374  320.934   6.9789  315.476   7.1048 5.457245 9.959074 
1 1 1    8   10   28 o   91.547   5.1347   56.804   6.3645   53.640   8.8377   60.213   9.1733   88.900   7.3359   94.193   7.1866 -5.292892 10.26948 
1 1 1    8   10   29 o  317.679   4.9830  683.794   21.434  655.492   29.601  714.991   31.077  310.782   7.0285  324.577   7.0655 -13.79568 9.965962 
1 1 1    8   10   30 f  233.146   4.5132  368.665   14.253  363.599   19.818  374.094   20.515  231.491   6.3173  234.802   6.4473 -3.310486 9.026428 
1 1 1    8   10   31 o  114.033   4.7098   88.139   7.2716   83.117   10.103   93.538   10.474  110.664   6.7369  117.401   6.5836 -6.737366 9.419668 
1 1 1    8   10   32 o  194.917   4.4038  257.799   11.628  257.415   16.213  258.205   16.685  194.771   6.1425  195.062   6.3121 -0.2905426 8.807553 
1 1 1    8   10   33 o  385.042   5.4845  1006.81   28.612  998.291   40.021  1015.72   40.921  383.382   7.7033  386.702   7.8089 -3.320557 10.96906 
1 1 1    8   10   34 o  418.878   5.7674  1191.65   32.728  1234.32   46.804  1150.83   45.780  426.219   8.1034  411.536   8.2090 14.68304 11.53485 
1 1 1    8   10   35 o  342.116   6.4273  796.678   27.753  797.933   33.627  793.996   49.152  342.768   7.2393  341.463   10.622 1.304901 12.85458 
1 1 1    8   10   36 o  268.228   9.7360  489.645   35.389   0.0000   0.0000  489.645   35.389  ?   ?   268.228   9.7360      ?      ? 
1 1 1    8   10   37 o  235.302   5.7157  378.672   16.855  382.548   20.345  370.192   30.096  237.379   6.3245  233.225   9.5225 4.153839 11.43145 
1 1 1    8   10   38 o  267.084   6.7458  484.462   24.416   0.0000   0.0000  484.462   24.416  ?   ?   267.084   6.7458      ?      ? 
1 1 1    8   10   39 o  373.248   6.6028  942.019   31.554  967.737   54.753  929.230   38.610  376.759   10.724  369.737   7.7059 7.021942 13.20569 
1 1 1    8   10   40 o  259.536   4.6971  457.370   16.506  484.244   23.587  431.582   23.106  267.016   6.5186  252.056   6.7646 14.95999 9.394293 
1 1 1    8   10   41 f  267.122   4.7282  484.805   17.110  487.378   23.943  482.119   24.460  267.856   6.5963  266.388   6.7757 1.467804 9.456341 
1 1 1    8   10   42 o  208.373   4.5053  294.504   12.712  283.778   17.566  306.296   18.419  204.398   6.3419  212.348   6.4009 -7.949768 9.010636 
1 1 1    8   10   43 o  171.709   6.4238  201.235   14.917  210.533   20.783  191.356   21.422  175.844   8.7217  167.575   9.4336 8.268784 12.84760 
1 1 1    8   10   44 o  307.402   6.0742  637.627   23.919  661.190   41.552  625.951   29.251  311.374   9.8476  303.431   7.1138 7.942841 12.14834 
1 1 1    8   10   45 o  147.053   4.6403  146.503   9.2270  133.772   12.693  160.771   13.437  140.292   6.6765  153.815   6.4463 -13.52339 9.280625 
1 1 1    8   10   46 f  114.679   5.8592   88.979   8.5840   87.851   10.483   91.273   14.955  113.676   6.8049  115.682   9.5401 -2.005898 11.71834 
1 1 1    8   10   47 o  156.600   4.6265  167.163   9.7839  182.096   13.780  151.983   13.894  163.697   6.2119  149.503   6.8578 14.19400 9.253006 
1 1 1    8   10   48 o  196.270   4.5640  261.924   12.135  264.778   17.014  258.969   17.314  197.368   6.3615  195.172   6.5462 2.195496 9.128060 
1 1 1    8   10   49 o  248.149   4.7413  418.903   15.938  429.131   22.453  408.515   22.628  251.218   6.5954  245.080   6.8132 6.137665 9.482574 
1 1 1    8   10   50 o  108.436   5.1515   79.914   7.5415   70.762   10.450   89.861   10.894  101.947   7.5643  114.924   6.9952 -12.97694 10.30298 
1 1 1    8   10   51 f  206.014   4.5989  288.711   12.836  293.307   18.054  284.012   18.253  207.682   6.4148  204.345   6.5917 3.337784 9.197794 
1 1 1    8   10   52 f  102.412   5.2717   71.472   7.3114   73.054   10.233   69.821   10.450  103.582   7.2902  101.242   7.6170 2.340500 10.54348 
1 1 1    8   10   53 o  220.628   4.6685  331.226   13.957  332.343   19.669  330.093   19.810  221.008   6.5673  220.248   6.6371 0.7590942 9.337061 
1 1 1    8   10   54 o  207.686   4.6494  293.618   13.080  303.890   18.531  283.419   18.465  211.321   6.4711  204.051   6.6777 7.270126 9.298784 
1 1 1    8   10   55 o  118.429   5.0662   95.575   8.1304   96.020   11.474   95.126   11.522  118.709   7.1327  118.149   7.1965 0.5600510 10.13237 
1 1 1    8   10   56 o   94.689   11.599   61.729   14.884   0.0000   0.0000   61.729   14.884  ?   ?    94.689   11.599      ?      ? 
1 1 1    8   10   57 o   89.131   9.2923   57.343   10.470   75.391   14.760   39.062   14.854  104.748   10.398   73.513   15.404 31.23489 18.58464 
1 1 1    8   10   58 o  211.067   6.5750  305.207   18.794  319.788   27.099  291.694   26.088  215.929   9.2609  206.206   9.3359 9.723419 13.15005 
1 1 1    8   10   59 o  169.989   4.7569  196.898   10.945  184.014   15.193  210.801   15.782  164.198   6.8278  175.780   6.6252 -11.58258 9.513763 
1 1 1    8   10   60 o  176.906   4.7198  213.627   11.313  210.217   15.848  217.171   16.156  175.469   6.6647  178.343   6.6849 -2.874527 9.439635 
1 1 1    8   10   61 o  102.383   5.5251   71.844   7.6635   69.570   10.786   74.164   10.891  100.733   7.9012  104.033   7.7252 -3.299500 11.05018 
1 1 1    8   10   62 o  179.635   5.9056  222.673   13.567  219.254   23.323  224.421   16.679  178.151   9.6606  181.118   6.7954 -2.967438 11.81123 
1 1 1    8   10   63 o  180.239   6.6467  224.789   16.201  207.492   22.809  242.402   23.017  173.109   9.7232  187.368   9.0650 -14.25954 13.29339 
1 1 1    8   10   64 o  108.557   5.3291   81.006   7.8392   80.555   11.019   81.468   11.154  108.256   7.5115  108.858   7.5614 -0.6019440 10.65817 
1 1 1    8   10   65 o  150.963   4.8401  156.381   9.8938  147.852   13.828  165.327   14.161  146.716   6.9552  155.210   6.7329 -8.494385 9.680213 
1 1 1    8   10   66 o  162.897   4.7924  182.334   10.574  174.808   14.825  190.128   15.087  159.448   6.8611  166.347   6.6927 -6.898972 9.584739 
1 1 1    8   10   67 o   66.788   6.9875   31.267   6.3188   29.924   8.9572   32.597   8.9152   65.306   10.121   68.270   9.6365 -2.964409 13.97510 
1 1 1    8   10   68 o  111.046   5.4029   85.520   8.0677   72.428   11.239   99.437   11.588  102.109   8.1222  119.983   7.1270 -17.87373 10.80572 
1 1 1    8   10   69 o   50.430   8.9170   19.063   6.0794   18.536   8.6342   19.581   8.5614   49.706   12.755   51.155   12.465 -1.448692 17.83409 
1 1 1    8   10   70 o   32.999   8.7982   5.7887   5.5363   9.3223   7.8098   2.2194   7.8492   36.945   12.795   29.053   12.079 7.892656 17.59631 
1 1 1    8   10   71 o   90.574   6.8974   57.456   8.1771   61.453   13.602   55.194   10.232   92.512   10.850   88.637   8.5188 3.874870 13.79475 
1 1 1    8   10   72 o   70.723   8.2818   35.969   7.4973   40.531   12.523   33.421   9.3598   73.116   13.122   68.329   10.108 4.787888 16.56368 
1 1 1    8   10   73 o   70.190   10.100   37.979   9.2613   31.978   12.485   45.321   13.810   63.640   14.763   76.741   13.786 -13.10070 20.19912 
1 1 1    8   10   74 o   53.780   9.5296   23.888   7.3653   13.537   12.034   30.087   9.3132   43.221   15.785   64.340   10.682 -21.11902 19.05926 
1 1 1    8   10   75 o   70.901   9.1899   40.625   8.0053   31.489   13.417   45.675   9.9757   61.958   15.900   79.843   9.2198 -17.88475 18.37972 
1 1 1    8   10   76 o   65.231   10.713   34.361   9.3695   26.951   12.855   42.759   13.685   56.993   15.992   73.469   14.260 -16.47546 21.42652 
1 1 1    8   10   77 f  108.464   8.1882   87.764   12.011   88.433   16.534   87.016   17.477  109.248   11.168  107.680   11.977 1.568054 16.37640 
1 1 1    8   10   78 o   95.553   12.105   69.006   15.675   0.0000   0.0000   69.006   15.675  ?   ?    95.553   12.105      ?      ? 
1 1 1    8   10   79 o   64.961   11.147   35.794   9.7034   37.887   13.011   33.170   14.566   68.161   14.530   61.760   16.909 6.401550 22.29422 
1 1 1    8   10   80 o   73.116   10.767   44.146   10.307   37.750   13.911   51.929   15.346   66.739   15.652   79.492   14.790 -12.75338 21.53493 
1 1 1    8   10   81 o   31.817   9.9469   0.9276   8.4391  -0.2010   11.668   2.1655   12.220   30.802   13.744   32.832   14.382 -2.030354 19.89372 
1 1 1    8   10   82 o   39.753   11.201   11.508   9.0382   10.508   12.228   12.712   13.419   38.606   15.439   40.899   16.232 -2.293049 22.40198 
1 1 1    8   10   83 f   79.016   10.678   53.799   11.069   38.047   15.290   71.147   16.046   63.606   17.287   94.426   12.540 -30.82050 21.35592 
1 1 1    8   10   84 o   60.892   11.977   35.374   10.317   30.520   14.321   40.612   14.875   55.952   17.210   65.833   16.660 -9.881283 23.95314 
1 1 1    8   10   85 o   41.981   11.570   16.110   9.5475   13.499   13.556   18.680   13.449   39.843   16.142   44.120   16.581 -4.276287 23.14036 
1 1 1    8   10   86 o   35.839   10.763   9.1826   9.1166   9.9377   12.737   8.3893   13.055   36.308   15.262   35.370   15.180 0.9387016 21.52598 
1 1 1    8   10   87 o   25.702   12.283  -7.7425   12.040  -7.7425   12.040   0.0000   0.0000   25.702   12.283  ?   ?       ?      ? 
1 1 1    8   11    0 o  370.917   5.4231  932.813   27.254  923.212   38.104  942.868   38.996  368.966   7.6208  372.869   7.7177 -3.903015 10.84615 
1 1 1    8   11    1 o  300.355   4.9637  611.749   20.201  623.490   28.587  600.038   28.549  303.236   6.9568  297.474   7.0821 5.761597 9.927361 
1 1 1    8   11    2 o  358.214   6.3698  867.178   29.512  881.632   50.025  859.462   36.550  360.430   10.242  355.998   7.5762 4.432037 12.73951 
1 1 1    8   11    3 o  362.151   6.4048  885.278   29.971  904.640   50.974  875.047   37.052  365.095   10.303  359.207   7.6117 5.887604 12.80962 
1 1 1    8   11    4 o  344.790   6.3202  816.847   28.377  767.790   46.402  846.154   35.866  336.351   10.180  353.230   7.4927 -16.87924 12.64038 
1 1 1    8   11    5 o  263.105   5.6427  471.904   19.377  460.536   31.848  478.585   24.415  260.540   9.0205  265.671   6.7816 -5.131256 11.28535 
1 1 1    8   11    6 o  421.896   7.0206  1209.45   38.259  1203.09   64.686  1212.87   47.447  420.940   11.340  422.853   8.2801 -1.913025 14.04117 
1 1 1    8   11    7 o  375.738   5.4475  956.723   27.723  933.324   38.456  982.040   40.002  370.961   7.6499  380.514   7.7577 -9.553040 10.89509 
1 1 1    8   11    8 o  232.195   4.6151  365.902   14.499  390.264   20.536  341.690   20.473  239.914   6.3167  224.477   6.7303 15.43668 9.230261 
1 1 1    8   11    9 f  415.901   5.7634  1172.57   32.467  1149.17   45.060  1197.84   46.820  411.593   8.0787  420.210   8.2221 -8.617645 11.52688 
1 1 1    8   11   10 o  509.549   6.5822  1757.92   45.395  1874.68   65.951  1652.79   62.579  525.595   9.2595  493.503   9.3574 32.09186 13.16437 
1 1 1    8   11   11 o  388.568   6.5523  1042.73   29.513  1060.18   34.027  989.720   59.297  395.413   6.3503  381.723   11.463 13.68936 13.10454 
1 1 1    8   11   12 o  422.049   6.7805  1196.44   32.865  1185.48   37.484  1232.89   68.336  418.107   6.6158  425.991   11.838 -7.884735 13.56095 
1 1 1    8   11   13 o  362.609   6.2282  870.418   25.736  852.586   29.177  932.920   54.626  354.595   6.0720  370.624   10.876 -16.02841 12.45645 
1 1 1    8   11   14 o  309.471   5.8317  635.449   20.518  623.815   23.249  676.416   43.627  303.324   5.6561  315.617   10.200 -12.29321 11.66341 
1 1 1    8   11   15 o  186.355   5.3944  238.121   11.306  240.157   12.839  231.089   23.857  188.214   5.0339  184.495   9.5423 3.718750 10.78870 
1 1 1    8   11   16 o  345.038   6.1745  819.844   24.581  830.880   28.257  785.500   49.845  350.041   5.9569  340.034   10.817 10.00623 12.34896 
1 1 1    8   11   17 o  272.593   6.6065  503.998   24.404  503.998   24.404   0.0000   0.0000  272.593   6.6065  ?   ?       ?      ? 
1 1 1    8   11   18 o  339.939   5.9325  783.669   27.329  783.669   27.329   0.0000   0.0000  339.939   5.9325  ?   ?       ?      ? 
1 1 1    8   11   19 o  655.252   9.1012  2915.42   80.815  2915.42   80.815   0.0000   0.0000  655.252   9.1012  ?   ?       ?      ? 
1 1 1    8   11   20 o  149.633   5.6227  156.438   9.4008  160.062   10.691  144.077   19.743  153.643   5.1346  145.624   10.005 8.019196 11.24533 
1 1 1    8   11   21 o  200.417   5.3380  271.563   12.221  270.678   13.926  274.528   25.487  199.796   5.1434  201.037   9.3554 -1.241394 10.67606 
1 1 1    8   11   22 o  113.865   5.9684   92.133   7.5963   95.582   8.6747   80.788   15.732  118.720   5.3919  109.009   10.650 9.710823 11.93674 
1 1 1    8   11   23 o   77.058   7.6932   42.891   6.2593   44.314   7.0850   37.830   13.360   80.818   6.4691   73.299   13.960 7.519516 15.38646 
1 1 1    8   11   24 o  286.022   5.7675  565.487   19.079  575.011   21.976  536.336   38.448  291.166   5.5696  280.877   10.101 10.28894 11.53505 
1 1 1    8   11   25 o  264.692   5.5950  476.848   17.041  477.845   19.508  473.636   35.011  265.428   5.4236  263.956   9.7878 1.472504 11.19001 
1 1 1    8   11   26 o  301.044   5.7773  610.387   20.060  605.780   22.934  625.393   41.389  298.834   5.6632  303.255   10.072 -4.420471 11.55455 
1 1 1    8   11   27 o   91.818   6.4287   56.881   6.7389   56.525   7.6723   58.084   14.097   91.270   6.2032   92.367   11.262 -1.097267 12.85742 
1 1 1    8   11   28 o  113.609   5.9344   88.405   7.6253   88.993   8.6755   86.408   15.988  114.534   5.5896  112.685   10.470 1.849174 11.86882 
1 1 1    8   11   29 o  152.769   5.3984  155.997   9.4320  153.877   10.727  163.220   19.800  150.614   5.2559  154.924   9.4312 -4.309860 10.79684 
1 1 1    8   11   30 o  109.003   6.2766   81.901   8.4319   83.549   10.076   78.051   15.400  110.937   6.7027  107.070   10.614 3.867607 12.55324 
1 1 1    8   11   31 o  268.040   4.7272  487.851   17.165  502.400   24.302  473.366   24.248  272.036   6.5924  264.044   6.7768 7.992218 9.454336 
1 1 1    8   11   32 o  448.059   7.4489  1366.20   42.315  1364.15   51.440  1370.48   74.415  447.948   8.4741  448.169   12.253 -0.2213440 14.89773 
1 1 1    8   11   33 f  146.796   5.6778  140.658   10.415  132.234   12.347  161.446   19.395  139.555   6.5287  154.037   9.2912 -14.48238 11.35561 
1 1 1    8   11   34 o  250.528   6.6828  427.732   22.653  453.228   31.944  401.939   32.129  258.085   9.1335  242.971   9.7579 15.11363 13.36555 
1 1 1    8   11   35 o  153.217   5.7339  164.841   11.201  143.151   18.709  176.958   13.984  145.003   9.5211  161.431   6.3922 -16.42807 11.46783 
1 1 1    8   11   36 o  469.163   6.2319  1497.88   39.620  1505.73   55.920  1489.95   56.144  470.408   8.7721  467.918   8.8542 2.490417 12.46385 
1 1 1    8   11   37 o  154.040   4.5925  160.875   9.5759  150.859   13.253  171.814   13.851  149.029   6.5626  159.051   6.4263 -10.02184 9.185025 
1 1 1    8   11   38 o   87.611   6.6537   48.213   7.3923   41.654   8.7838   64.137   13.686   78.245   8.2840   96.976   10.414 -18.73088 13.30731 
1 1 1    8   11   39 o  134.467   6.6980  123.088   12.163  121.882   16.493  124.526   18.009  133.774   9.0982  135.159   9.8325 -1.384903 13.39609 
1 1 1    8   11   40 o  187.035   4.5130  237.346   11.431  228.810   15.822  246.668   16.533  183.523   6.3618  190.547   6.4028 -7.023819 9.025987 
1 1 1    8   11   41 o  308.153   5.0196  645.391   20.947  679.431   29.911  612.631   29.343  316.141   6.9818  300.165   7.2138 15.97641 10.03918 
1 1 1    8   11   42 o  192.684   6.3712  252.144   16.581  282.798   24.159  224.846   22.798  203.749   8.7500  181.619   9.2632 22.13039 12.74238 
1 1 1    8   11   43 o  259.149   6.6599  457.862   23.385  448.023   32.768  468.073   33.383  256.310   9.4342  261.989   9.4029 -5.678253 13.31988 
1 1 1    8   11   44 o  208.331   4.5719  295.042   12.906  297.873   18.161  292.154   18.343  209.347   6.4016  207.314   6.5292 2.032532 9.143854 
1 1 1    8   11   45 o  214.872   4.6123  313.871   13.427  313.636   18.777  314.117   19.207  214.797   6.4509  214.946   6.5939 -0.1488495 9.224646 
1 1 1    8   11   46 o  105.176   5.2673   75.424   7.4772   83.813   10.635   67.223   10.515  110.994   7.0706   99.359   7.8093 11.63488 10.53460 
1 1 1    8   11   47 o  210.913   4.6264  302.222   13.217  290.399   18.393  314.841   19.003  206.649   6.5682  215.176   6.5171 -8.526749 9.252784 
1 1 1    8   11   48 o  244.800   4.7104  407.671   15.623  416.170   22.088  399.161   22.102  247.363   6.5891  242.236   6.7331 5.127777 9.420808 
1 1 1    8   11   49 o   39.292   9.0018   10.252   5.5134   11.939   7.7439   8.5168   7.8514   41.561   12.631   37.023   12.829 4.537743 18.00367 
1 1 1    8   11   50 f  217.375   4.6499  321.543   13.695  327.425   19.330  315.613   19.406  219.382   6.5019  215.368   6.6492 4.013397 9.299807 
1 1 1    8   11   51 o  123.012   4.9414  103.034   8.2322   98.331   11.571  107.854   11.715  120.159   7.1061  125.865   6.8681 -5.705574 9.882707 
1 1 1    8   11   52 o  166.788   4.6564  189.395   10.521  195.613   14.911  183.231   14.847  169.525   6.4905  164.051   6.6784 5.474625 9.312806 
1 1 1    8   11   53 o  134.145   5.8536  119.805   10.153  133.107   17.549  113.114   12.447  139.464   9.2856  128.826   7.1298 10.63754 11.70712 
1 1 1    8   11   54 o  117.131   6.1707   91.520   9.2941  101.170   16.238   86.819   11.334  121.454   9.8662  112.808   7.4142 8.646706 12.34148 
1 1 1    8   11   55 o  147.195   5.9752  147.929   11.135  147.375   13.515  149.102   19.648  147.019   6.7834  147.371   9.8385 -0.3518219 11.95038 
1 1 1    8   11   56 o   64.235   8.8311   24.681   7.1791   15.720   8.5509   46.082   13.215   46.867   13.005   81.603   11.951 -34.73568 17.66219 
1 1 1    8   11   57 o  134.287   4.9258  123.234   8.9549  129.524   12.665  116.946   12.663  137.743   6.7852  130.831   7.1424 6.911926 9.851516 
1 1 1    8   11   58 o  107.513   5.3433   79.071   7.7775   74.346   10.859   84.047   11.144  104.198   7.6907  110.828   7.4201 -6.629684 10.68670 
1 1 1    8   11   59 o   76.271   6.5979   40.275   6.7619   46.422   9.5962   34.213   9.5297   82.173   8.6176   70.370   9.9934 11.80347 13.19590 
1 1 1    8   11   60 o  147.148   5.8266  149.414   11.134  150.822   13.932  146.924   18.525  148.425   6.9267  145.872   9.3712 2.553101 11.65323 
1 1 1    8   11   61 o  119.537   7.1466   98.000   11.577   0.0000   0.0000   98.000   11.577  ?   ?   119.537   7.1466      ?      ? 
1 1 1    8   11   62 o   83.212   11.579   48.572   13.057   0.0000   0.0000   48.572   13.057  ?   ?    83.212   11.579      ?      ? 
1 1 1    8   11   63 o   37.434   9.0143   9.3375   5.4922   8.2552   7.8852   10.357   7.6544   36.148   12.831   38.721   12.665 -2.573204 18.02863 
1 1 1    8   11   64 o   85.168   5.9215   50.199   6.8273   53.460   9.8149   47.143   9.5033   87.874   8.2422   82.463   8.5042 5.411537 11.84292 
1 1 1    8   11   65 o  168.564   4.7976  195.465   10.926  175.581   15.191  216.777   15.727  159.594   7.0240  177.535   6.5370 -17.94054 9.595212 
1 1 1    8   11   66 f   86.333   6.1345   52.292   7.0575   41.115   9.8604   64.034   10.106   76.568   9.5031   96.098   7.7603 -19.53005 12.26906 
1 1 1    8   11   67 o  170.389   4.8248  200.649   11.138  203.888   15.692  197.359   15.813  171.816   6.7394  168.962   6.9062 2.853973 9.649657 
1 1 1    8   11   68 o   55.553   9.4489   24.316   7.0819   17.735   11.906   27.920   8.8098   48.468   15.793   62.637   10.379 -14.16976 18.89777 
1 1 1    8   11   69 o   99.049   6.6593   69.105   8.4807   70.684   14.518   68.287   10.449   99.230   10.797   98.868   7.7987 0.3617172 13.31869 
1 1 1    8   11   70 o   44.863   15.409   14.984   11.316   14.984   11.316   0.0000   0.0000   44.863   15.409  ?   ?       ?      ? 
1 1 1    8   11   71 f   58.252   9.3400   27.821   7.2517   18.334   12.016   33.256   9.0947   48.390   15.870   68.114   9.8530 -19.72454 18.67995 
1 1 1    8   11   72 o   55.327   11.103   24.760   8.6948   23.911   11.881   25.739   12.758   54.452   15.408   56.203   15.989 -1.750881 22.20525 
1 1 1    8   11   73 o   94.139   8.4810   66.772   10.586   79.075   14.714   53.573   15.241  104.288   10.412   83.991   13.390 20.29729 16.96202 
1 1 1    8   11   74 o   56.157   11.244   25.782   9.0692   20.072   12.400   32.349   13.299   49.583   16.115   62.731   15.686 -13.14781 22.48835 
1 1 1    8   11   75 o   72.559   10.610   42.455   10.082   38.491   13.857   46.913   14.695   68.652   15.287   76.466   14.716 -7.813354 21.21927 
1 1 1    8   11   76 o   38.572   10.688   9.4404   8.3329   13.024   10.809   4.1918   13.082   41.523   14.991   35.620   15.239 5.902805 21.37664 
1 1 1    8   11   77 o   44.686   16.870   15.589   13.958   0.0000   0.0000   15.589   13.958  ?   ?    44.686   16.870      ?      ? 
1 1 1    8   11   78 o   59.613   16.881   31.274   14.256   0.0000   0.0000   31.274   14.256  ?   ?    59.613   16.881      ?      ? 
1 1 1    8   11   79 o   34.209   10.294   4.4991   8.4340   7.1088   11.552   1.5203   12.342   35.829   14.753   32.590   14.360 3.239666 20.58805 
1 1 1    8   11   80 o   87.379   9.6087   61.292   10.846   46.572   14.764   78.545   15.984   73.895   15.250  100.864   11.694 -26.96935 19.21747 
1 1 1    8   11   81 o   65.608   11.267   38.575   9.9950   32.783   14.173   44.306   14.097   59.476   16.829   71.740   14.984 -12.26399 22.53310 
1 1 1    8   11   82 o   52.468   11.890   26.358   9.5804   25.471   13.891   27.162   13.230   51.363   17.074   53.573   16.552 -2.210121 23.78055 
1 1 1    8   11   83 o   36.981   9.5650   0.2905   8.5055   26.697   12.477 -22.6374   11.626   52.937   16.021   21.024   10.454 31.91302 19.13001 
1 1 1    8   11   84 o   66.066   11.443   42.423   10.329   34.270   14.718   50.336   14.499   57.583   17.395   74.548   14.873 -16.96484 22.88630 
1 1 1    8   11   85 o   43.860   11.712   19.856   9.8309   13.598   14.041   25.875   13.769   38.688   16.127   49.032   16.989 -10.34410 23.42415 
1 1 1    8   12    0 o  136.332   4.7327  125.880   8.7230  123.622   11.888  128.514   12.839  135.013   6.4975  137.651   6.8830 -2.638199 9.465384 
1 1 1    8   12    1 o  437.902   5.9796  1301.42   35.480  1315.26   50.026  1287.42   50.329  440.250   8.3852  435.555   8.5270 4.694946 11.95912 
1 1 1    8   12    2 o  111.674   6.7945   88.583   9.4908   73.842   16.239   96.230   11.696  104.243   11.496  119.105   7.2466 -14.86141 13.58904 
1 1 1    8   12    3 o  168.425   5.8948  196.697   12.550  180.555   21.685  204.825   15.388  163.066   9.8132  173.784   6.5343 -10.71764 11.78963 
1 1 1    8   12    4 o  375.642   6.7511  951.987   32.359  976.028   56.522  940.267   39.466  379.020   11.005  372.263   7.8234 6.757538 13.50213 
1 1 1    8   12    5 o  375.385   6.7455  942.903   32.199  996.666   57.029  917.745   39.012  382.998   10.988  367.772   7.8277 15.22577 13.49097 
1 1 1    8   12    6 o  530.599   6.7699  1911.45   48.670  1898.85   68.131  1924.58   69.551  528.822   9.5072  532.377   9.6406 -3.554871 13.53987 
1 1 1    8   12    7 o  209.341   4.6302  296.615   13.114  286.853   17.942  307.814   19.216  205.654   6.4379  213.028   6.6566 -7.373734 9.260484 
1 1 1    8   12    8 o  438.959   5.9851  1305.92   35.570  1385.46   51.341  1232.50   49.326  451.801   8.3855  426.116   8.5421 25.68475 11.97018 
1 1 1    8   12    9 o  410.803   7.0034  1143.03   36.616  1136.86   44.624  1155.75   64.064  409.283   8.0456  412.323   11.465 -3.040344 14.00672 
1 1 1    8   12   10 o  463.344   7.5737  1475.26   44.975  1510.94   55.621  1407.87   76.441  471.761   8.7003  454.927   12.399 16.83417 15.14734 
1 1 1    8   12   11 o  163.336   6.2967  180.956   13.937  180.956   13.937   0.0000   0.0000  163.336   6.2967  ?   ?       ?      ? 
1 1 1    8   12   12 o  300.508   5.6248  612.410   22.906  612.410   22.906   0.0000   0.0000  300.508   5.6248  ?   ?       ?      ? 
1 1 1    8   12   13 o  353.941   6.2833  856.336   25.560  861.396   29.274  840.100   52.436  356.368   6.0618  351.514   11.008 4.853638 12.56659 
1 1 1    8   12   14 o  179.402   5.4397  212.328   10.889  207.850   12.239  229.333   23.848  175.077   5.1587  183.727   9.5785 -8.650009 10.87932 
1 1 1    8   12   15 o  195.960   5.4577  260.632   11.987  260.611   13.565  260.707   25.608  196.042   5.1061  195.879   9.6475 0.1630096 10.91541 
1 1 1    8   12   16 o   68.016   7.9353   28.612   5.7458   26.485   6.3570   38.106   13.429   62.465   7.5099   73.567   13.981 -11.10144 15.87059 
1 1 1    8   12   17 o  169.164   5.4704  193.504   10.318  192.921   11.644  195.633   22.261  168.667   5.0945  169.661   9.6822 -0.9940643 10.94072 
1 1 1    8   12   18 o  149.025   5.3951  144.166   9.0975  139.111   10.251  162.918   19.742  143.219   5.2817  154.832   9.4091 -11.61328 10.79015 
1 1 1    8   12   19 o  209.406   5.3401  289.444   12.655  282.965   14.299  312.849   27.178  204.262   5.1659  214.549   9.3477 -10.28777 10.68021 
1 1 1    8   12   20 o  166.132   5.3831  189.548   10.183  191.404   11.628  183.436   21.098  167.994   5.1076  164.270   9.4776 3.723862 10.76625 
1 1 1    8   12   21 o   89.498   7.0767   60.286   6.7617   64.721   7.6855   45.093   14.225   97.672   5.8065   81.324   12.908 16.34849 14.15341 
1 1 1    8   12   22 o  167.893   5.3196  187.656   10.167  184.579   11.533  198.385   21.539  164.964   5.1591  170.823   9.3045 -5.858444 10.63912 
1 1 1    8   12   23 o  225.886   5.5004  347.173   14.135  347.682   16.099  345.460   29.529  226.398   5.2474  225.374   9.6686 1.024384 11.00078 
1 1 1    8   12   24 o  196.625   5.3790  264.664   12.101  266.489   13.834  258.720   24.964  198.208   5.1506  195.043   9.4450 3.165726 10.75809 
1 1 1    8   12   25 o  140.931   5.5855  138.621   8.9545  141.893   10.258  128.151   18.353  144.626   5.2342  137.236   9.8687 7.389542 11.17090 
1 1 1    8   12   26 o  168.167   5.4664  193.898   10.473  195.423   11.956  188.866   21.715  169.726   5.1983  166.609   9.6179 3.116867 10.93279 
1 1 1    8   12   27 o  124.551   5.9118  103.003   9.2282   99.234   11.016  111.872   16.897  120.891   6.7244  128.212   9.7252 -7.320084 11.82363 
1 1 1    8   12   28 o  124.442   6.0726  107.293   9.4452  110.679   11.443  100.052   16.732  127.672   6.6138  121.212   10.187 6.459991 12.14525 
1 1 1    8   12   29 o  249.447   6.6835  423.841   22.571  433.359   31.470  413.758   32.390  252.363   9.2021  246.532   9.6953 5.830734 13.36698 
1 1 1    8   12   30 o  138.587   6.7606  131.070   12.661  136.081   17.478  125.539   18.365  141.410   9.1205  135.765   9.9819 5.645630 13.52121 
1 1 1    8   12   31 o  338.018   6.1459  778.872   24.104  780.329   27.700  774.331   48.919  339.028   6.0292  337.009   10.712 2.018524 12.29184 
1 1 1    8   12   32 o  151.476   5.4711  153.196   9.5934  150.689   10.963  161.392   19.819  149.006   5.4295  153.945   9.5001 -4.938721 10.94217 
1 1 1    8   12   33 o  264.676   5.6048  468.402   17.161  461.233   19.611  491.835   35.457  260.672   5.5518  268.680   9.7382 -8.008423 11.20962 
1 1 1    8   12   34 o   81.324   8.6152   44.766   9.0733   33.551   11.951   60.026   13.941   68.866   13.288   93.781   10.969 -24.91496 17.23045 
1 1 1    8   12   35 o  108.104   5.1178   79.454   7.4938   79.077   10.750   79.811   10.452  107.848   7.3558  108.359   7.1175 -0.5108871 10.23559 
1 1 1    8   12   36 o  181.352   6.3882  223.434   15.699  223.434   15.699   0.0000   0.0000  181.352   6.3882  ?   ?       ?      ? 
1 1 1    8   12   37 o  211.271   5.5748  310.485   15.152  327.283   18.980  280.969   25.159  219.478   6.3815  203.064   9.1428 16.41336 11.14962 
1 1 1    8   12   38 o  200.748   5.5980  280.903   14.446  297.407   18.107  252.000   23.962  209.210   6.3867  192.286   9.1957 16.92427 11.19607 
1 1 1    8   12   39 f  275.565   5.9200  517.192   20.987  516.899   35.818  517.345   25.898  275.286   9.6013  275.843   6.9283 -0.5568237 11.84008 
1 1 1    8   12   40 o  288.877   6.0406  573.086   22.463  553.598   37.947  583.598   27.870  284.811   9.8319  292.942   7.0206 -8.130829 12.08122 
1 1 1    8   12   41 o   57.115   7.8484   22.842   5.9377   19.319   8.3909   26.376   8.4036   52.076   12.118   62.153   9.9774 -10.07734 15.69685 
1 1 1    8   12   42 o  128.902   4.9060  112.964   8.5526  103.493   11.937  122.954   12.260  123.337   7.1419  134.465   6.7280 -11.12810 9.811925 
1 1 1    8   12   43 o  294.485   5.0131  590.062   20.001  606.657   28.361  573.642   28.210  298.618   7.0084  290.352   7.1697 8.266632 10.02611 
1 1 1    8   12   44 o   83.247   6.0733   47.309   6.7924   39.542   9.4419   55.640   9.7789   76.121   9.1531   90.373   7.9849 -14.25192 12.14653 
1 1 1    8   12   45 o  239.263   4.7253  389.472   15.315  402.887   21.709  376.180   21.609  243.380   6.5824  235.147   6.7814 8.232590 9.450637 
1 1 1    8   12   46 o  147.374   4.7632  147.836   9.5087  151.683   13.389  143.922   13.506  149.320   6.6170  145.428   6.8533 3.891754 9.526391 
1 1 1    8   12   47 f  167.495   4.6635  190.609   10.573  178.327   14.672  203.877   15.250  161.880   6.6884  173.109   6.5006 -11.22935 9.327001 
1 1 1    8   12   48 o  163.981   4.6674  182.918   10.369  176.804   14.498  189.318   14.834  161.173   6.6381  166.788   6.5631 -5.615005 9.334808 
1 1 1    8   12   49 o  110.184   5.2256   82.760   7.8011   81.224   11.053   84.285   11.012  109.157   7.4719  111.210   7.3073 -2.052261 10.45113 
1 1 1    8   12   50 o   92.823   6.6691   53.977   7.9682   76.404   14.277   43.830   9.6030  105.581   9.9786   80.065   8.8507 25.51528 13.33821 
1 1 1    8   12   51 f   59.819   9.3330   25.849   7.1291   23.159   12.382   27.183   8.7193   56.707   15.617   62.930   10.224 -6.222977 18.66599 
1 1 1    8   12   52 o  119.125   7.1758   96.823   11.584   0.0000   0.0000   96.823   11.584  ?   ?   119.125   7.1758      ?      ? 
1 1 1    8   12   53 o  177.011   4.7418  213.657   11.366  225.043   16.219  202.669   15.933  181.665   6.5882  172.358   6.8217 9.306824 9.483638 
1 1 1    8   12   54 o   92.333   7.1662   55.848   8.4294   50.849   10.117   67.192   15.242   86.111   8.6701   98.556   11.413 -12.44492 14.33241 
1 1 1    8   12   55 o  220.589   5.9614  332.925   16.544  331.419   19.969  336.220   29.542  220.300   6.6891  220.879   9.8697 -0.5791473 11.92282 
1 1 1    8   12   56 o   84.770   7.0906   49.523   7.8127   49.255   9.7513   50.004   13.056   84.676   8.4981   84.863   11.353 -0.1873245 14.18112 
1 1 1    8   12   57 o   93.418   6.6214   54.959   8.0076   41.020   9.7923   83.095   13.912   77.099   9.3725  109.737   9.3556 -32.63828 13.24274 
1 1 1    8   12   58 o  110.798   7.4729   84.250   11.220   0.0000   0.0000   84.250   11.220  ?   ?   110.798   7.4729      ?      ? 
1 1 1    8   12   59 o   44.097   8.4037   13.601   5.5924   5.7517   7.8123   21.852   8.0091   33.178   12.598   55.015   11.125 -21.83702 16.80733 
1 1 1    8   12   60 o   86.972   5.8990   52.314   6.9405   49.076   9.8506   55.507   9.7806   84.238   8.6292   89.706   8.0456 -5.468185 11.79806 
1 1 1    8   12   61 o  126.081   6.2338  113.981   9.9541   98.819   16.780  122.214   12.365  118.810   10.422  133.352   6.8423 -14.54216 12.46757 
1 1 1    8   12   62 o   73.483   6.9157   38.876   6.4710   27.640   9.1124   50.307   9.1908   61.700   11.315   85.266   7.9542 -23.56568 13.83148 
1 1 1    8   12   63 o  127.224   5.0747  111.903   8.7137   99.732   12.237  124.424   12.411  120.079   7.5199  134.368   6.8161 -14.28844 10.14933 
1 1 1    8   12   64 o   60.708   7.8656   26.651   6.3254   25.316   9.0733   27.914   8.8230   58.576   11.838   62.841   10.361 -4.264713 15.73129 
1 1 1    8   12   65 o  104.771   6.8017   77.910   9.0765   75.811   15.629   78.978   11.149  102.969   11.201  106.573   7.7201 -3.603844 13.60342 
1 1 1    8   12   66 o  152.800   6.9207  165.649   14.281  149.383   20.066  182.344   20.329  144.886   10.220  160.714   9.3345 -15.82736 13.84138 
1 1 1    8   12   67 o   39.354   9.9518   8.9158   6.6398   16.632   11.203   4.7379   8.2436   46.807   15.323   31.901   12.703 14.90601 19.90366 
1 1 1    8   12   68 o   38.487   9.8996   9.8377   6.4873   10.619   10.852   9.4033   8.0923   40.051   14.925   36.924   13.010 3.127224 19.79919 
1 1 1    8   12   69 o   54.876   9.8590   23.014   7.0955   25.796   12.025   21.528   8.7883   56.757   15.291   52.995   12.449 3.762722 19.71796 
1 1 1    8   12   70 o   86.042   7.5309   54.522   8.4205   50.932   13.698   56.703   10.676   82.817   12.205   89.267   8.8254 -6.450874 15.06175 
1 1 1    8   12   71 o   44.807   10.924   14.227   8.2295   8.2256   10.806   22.514   12.698   37.248   14.635   52.365   16.222 -15.11720 21.84823 
1 1 1    8   12   72 o   42.773   15.190   13.843   11.052   13.843   11.052   0.0000   0.0000   42.773   15.190  ?   ?       ?      ? 
1 1 1    8   12   73 o   76.021   9.8887   45.568   9.7843   46.616   12.830   44.113   15.125   78.780   12.018   73.262   15.707 5.517899 19.77732 
1 1 1    8   12   74 o   36.166   10.439   6.7806   8.0534   5.6501   10.836   8.1758   12.037   34.640   14.279   37.692   15.232 -3.051941 20.87808 
1 1 1    8   12   75 o   47.714   11.416   18.027   8.8325   12.771   11.569   25.371   13.676   41.331   15.408   54.097   16.848 -12.76559 22.83139 
1 1 1    8   12   76 o   36.233   10.312   6.9575   8.1863   12.737   10.935  -0.4115   12.347   40.826   15.026   31.641   14.127 9.184589 20.62422 
1 1 1    8   12   77 o   80.961   14.449   53.896   15.271   0.0000   0.0000   53.896   15.271  ?   ?    80.961   14.449      ?      ? 
1 1 1    8   12   78 o   40.662   16.017   12.507   12.974   0.0000   0.0000   12.507   12.974  ?   ?    40.662   16.017      ?      ? 
1 1 1    8   12   79 o   31.802   9.8017   0.6256   8.2804  -7.0694   11.417   9.1651   12.027   26.495   12.452   37.110   15.141 -10.61411 19.60344 
1 1 1    8   12   80 o   41.328   11.033   13.950   8.8422   7.0194   12.623   20.627   12.390   35.442   15.061   47.213   16.126 -11.77174 22.06540 
1 1 1    8   12   81 o   49.847   11.638   24.022   9.4093   17.771   13.281   30.323   13.333   43.586   16.456   56.108   16.462 -12.52207 23.27641 
1 1 1    8   12   82 o   25.403   8.5154  -9.6233   8.1373  -0.2021   11.350 -19.5873   11.672   29.075   13.211   21.732   10.748 7.343374 17.03082 
1 1 1    8   12   83 f   34.318   10.478   6.8076   9.1300   13.033   12.963   0.6789   12.861   38.227   15.671   30.410   13.912 7.816866 20.95539 
1 1 1    8   13    0 o   91.439   6.7130   57.205   7.8241   57.998   9.5961   55.631   13.513   92.435   7.6608   90.442   11.026 1.993675 13.42601 
1 1 1    8   13    1 o  187.506   5.4499  232.396   13.022  221.118   15.737  256.888   23.190  180.533   6.4324  194.479   8.7994 -13.94609 10.89979 
1 1 1    8   13    2 o  161.645   4.7515  177.674   10.363  181.794   14.109  172.849   15.270  163.696   6.3605  159.594   7.0605 4.101334 9.502995 
1 1 1    8   13    3 o  276.011   4.8933  517.180   18.281  521.520   25.303  512.442   26.440  277.234   6.7350  274.788   7.1004 2.445526 9.786565 
1 1 1    8   13    4 o  335.246   5.2283  763.202   23.741  777.955   33.275  747.905   33.883  338.558   7.2526  331.933   7.5326 6.625061 10.45660 
1 1 1    8   13    5 o  341.008   5.2632  788.475   24.300  770.189   33.516  808.738   35.281  336.853   7.3423  345.163   7.5428 -8.310272 10.52634 
1 1 1    8   13    6 o  231.200   4.7122  363.233   14.738  373.694   20.440  351.903   21.271  234.684   6.4270  227.716   6.8930 6.968735 9.424410 
1 1 1    8   13    7 o  190.564   4.6435  246.200   11.960  243.550   16.292  249.297   17.612  189.462   6.3457  191.666   6.7808 -2.204010 9.286964 
1 1 1    8   13    8 o  267.354   4.8432  484.272   17.521  470.868   24.013  499.532   25.623  263.412   6.7272  271.296   6.9695 -7.883881 9.686485 
1 1 1    8   13    9 o  354.266   5.3542  852.185   25.693  855.469   35.846  848.716   36.846  354.979   7.4517  353.553   7.6905 1.426331 10.70849 
1 1 1    8   13   10 o  285.160   4.9218  552.360   19.004  567.413   26.595  536.656   27.165  289.145   6.7874  281.175   7.1294 7.969849 9.843632 
1 1 1    8   13   11 o  215.568   5.9540  317.646   15.858  320.527   18.929  310.863   29.045  217.334   6.4271  213.801   10.025 3.532578 11.90804 
1 1 1    8   13   12 o  533.466   7.9929  1923.42   49.112  1910.89   56.134  1964.32  101.407  530.452   7.8091  536.479   13.949 -6.027222 15.98582 
1 1 1    8   13   13 o  362.837   6.3306  849.915   25.740  817.414   28.874  975.742   56.812  347.081   6.1389  378.593   11.073 -31.51163 12.66124 
1 1 1    8   13   14 o  131.894   6.1216  121.925   8.7075  124.475   9.7737  112.109   19.172  135.464   5.3242  128.325   11.025 7.139252 12.24329 
1 1 1    8   13   15 o  271.557   5.7366  495.744   17.683  491.455   20.071  510.616   37.376  269.154   5.5028  273.960   10.068 -4.805573 11.47328 
1 1 1    8   13   16 o  168.803   5.6067  193.063   10.587  192.672   11.966  194.474   22.715  168.534   5.2394  169.073   9.9140 -0.5396729 11.21332 
1 1 1    8   13   17 o  316.561   6.0303  679.307   21.869  677.752   24.960  684.443   45.370  316.043   5.8280  317.080   10.559 -1.036377 12.06056 
1 1 1    8   13   18 o  194.457   5.5518  255.241   12.131  253.942   13.725  259.877   25.934  193.478   5.2347  195.435   9.7922 -1.956863 11.10362 
1 1 1    8   13   19 o  173.221   5.5673  204.598   10.887  205.192   12.366  202.553   22.961  173.915   5.2469  172.527   9.8210 1.387665 11.13468 
1 1 1    8   13   20 o  130.657   5.6777  113.225   8.4185  110.994   9.5300  121.149   17.962  127.900   5.4984  133.413   9.9353 -5.512497 11.35531 
1 1 1    8   13   21 o  207.845   5.3695  283.561   12.701  275.611   14.367  311.993   27.169  201.552   5.2602  214.139   9.3625 -12.58684 10.73902 
1 1 1    8   13   22 o  159.768   5.4888  173.223   9.9701  173.021   11.345  173.905   20.891  159.692   5.2427  159.843   9.6447 -0.1518250 10.97753 
1 1 1    8   13   23 f  223.654   5.7644  337.962   16.156  334.597   19.401  345.573   29.178  221.988   6.4494  225.319   9.5560 -3.330551 11.52870 
1 1 1    8   13   24 o  119.556   6.1825   96.462   9.2360   95.261   11.060   99.230   16.790  118.426   6.8915  120.687   10.266 -2.261116 12.36491 
1 1 1    8   13   25 o  218.040   5.7954  317.829   15.785  309.560   18.837  337.323   28.923  213.503   6.5108  222.577   9.5893 -9.073853 11.59074 
1 1 1    8   13   26 o  160.249   5.5287  172.669   10.135  171.036   11.541  178.175   21.193  158.753   5.3645  161.744   9.6689 -2.991318 11.05738 
1 1 1    8   13   27 o  208.731   5.4850  293.877   13.144  291.831   14.999  300.647   27.287  207.366   5.3374  210.096   9.5840 -2.730209 10.97004 
1 1 1    8   13   28 o  162.745   5.5838  177.302   10.306  175.025   11.682  185.294   21.883  160.585   5.3683  164.904   9.7927 -4.319153 11.16760 
1 1 1    8   13   29 o  209.408   6.6204  298.826   18.758  300.972   25.869  296.446   27.239  210.234   9.0801  208.581   9.6368 1.652252 13.24071 
1 1 1    8   13   30 o  140.330   6.7882  134.605   12.855  139.548   17.602  128.954   18.819  143.142   9.0742  137.518   10.098 5.624619 13.57638 
1 1 1    8   13   31 o  122.485   5.9166  101.909   8.4080  101.719   9.6533  102.506   17.114  122.391   5.8203  122.578   10.303 -0.1873322 11.83330 
1 1 1    8   13   32 o  232.391   5.4276  366.642   17.093  366.642   17.093   0.0000   0.0000  232.391   5.4276  ?   ?       ?      ? 
1 1 1    8   13   33 o  300.317   5.7989  612.513   23.600  612.513   23.600   0.0000   0.0000  300.317   5.7989  ?   ?       ?      ? 
1 1 1    8   13   34 o  254.480   5.5695  439.759   19.207  439.759   19.207   0.0000   0.0000  254.480   5.5695  ?   ?       ?      ? 
1 1 1    8   13   35 o  109.844   6.8978   82.839   9.5146   83.721   11.508   80.933   16.916  110.920   7.6558  108.768   11.476 2.152695 13.79566 
1 1 1    8   13   36 o  267.173   6.1617  490.243   20.866  497.465   25.467  475.493   36.395  270.467   6.9482  263.878   10.178 6.589172 12.32333 
1 1 1    8   13   37 o  229.271   6.0187  359.220   17.522  361.202   21.369  355.152   30.610  230.467   6.8421  228.076   9.9038 2.391342 12.03745 
1 1 1    8   13   38 o  236.801   5.9371  369.559   17.609  350.737   20.950  414.853   32.500  227.096   6.8076  246.507   9.7289 -19.41121 11.87417 
1 1 1    8   13   39 o  133.382   4.9538  121.084   8.9491  116.654   12.672  125.492   12.640  130.936   7.1415  135.827   6.8674 -4.890854 9.907690 
1 1 1    8   13   40 o  153.734   4.7077  160.719   9.8021  153.534   13.763  168.114   13.963  150.239   6.7601  157.229   6.5535 -6.990341 9.415331 
1 1 1    8   13   41 o  226.001   6.6836  347.438   20.469   0.0000   0.0000  347.438   20.469  ?   ?   226.001   6.6836      ?      ? 
1 1 1    8   13   42 o  136.218   4.8391  126.204   8.9306  129.437   12.793  123.130   12.473  137.919   6.8447  134.518   6.8423 3.401550 9.678185 
1 1 1    8   13   43 o  177.297   6.5784  213.868   15.805   0.0000   0.0000  213.868   15.805  ?   ?   177.297   6.5784      ?      ? 
1 1 1    8   13   44 o  106.726   5.4725   78.387   7.7578   59.980   10.862   97.551   11.083   93.743   8.5507  119.709   6.8323 -25.96543 10.94507 
1 1 1    8   13   45 o  183.229   4.7498  228.520   11.781  214.453   16.508  243.122   16.819  177.464   6.8643  188.994   6.5670 -11.52997 9.499696 
1 1 1    8   13   46 o  169.654   5.7921  191.199   12.555  212.253   22.250  181.365   15.207  176.134   9.3221  163.174   6.8771 12.96005 11.58429 
1 1 1    8   13   47 o  314.587   6.3809  684.021   25.734  655.155   43.721  699.322   31.832  308.941   10.443  320.233   7.3352 -11.29202 12.76188 
1 1 1    8   13   48 o  111.347   5.3066   84.488   7.9997   89.717   11.547   79.663   11.093  114.663   7.4314  108.032   7.5773 6.630714 10.61326 
1 1 1    8   13   49 o   85.113   6.0252   49.670   6.9349   46.385   9.8644   52.880   9.7515   82.293   8.8456   87.934   8.1834 -5.640427 12.05041 
1 1 1    8   13   50 o  146.371   4.8803  146.252   9.6696  155.066   13.742  137.607   13.609  150.767   6.7259  141.975   7.0734 8.791519 9.760693 
1 1 1    8   13   51 o   63.275   7.5871   28.089   6.3465   25.641   8.9562   30.559   8.9946   59.933   11.445   66.618   9.9635 -6.684849 15.17419 
1 1 1    8   13   52 o  198.635   6.6970  269.474   18.027  269.474   18.027   0.0000   0.0000  198.635   6.6970  ?   ?       ?      ? 
1 1 1    8   13   53 o  241.979   6.8318  400.328   22.402  400.328   22.402   0.0000   0.0000  241.979   6.8318  ?   ?       ?      ? 
1 1 1    8   13   54 o   93.756   5.8280   60.435   7.4005   58.182   10.468   62.687   10.464   91.983   8.3982   95.529   8.0828 -3.546371 11.65597 
1 1 1    8   13   55 o   93.553   5.7344   60.609   7.1891   50.325   10.158   70.930   10.176   85.427   8.7745  101.678   7.3852 -16.25068 11.46884 
1 1 1    8   13   56 o  102.182   5.4379   71.747   7.5260   75.017   10.793   68.653   10.500  104.459   7.6247   99.905   7.7554 4.554062 10.87576 
1 1 1    8   13   57 o   94.238   5.6412   61.185   7.1976   64.896   10.317   57.666   10.046   97.047   7.8452   91.430   8.1083 5.617050 11.28233 
1 1 1    8   13   58 o  150.512   4.8493  155.465   9.8572  138.599   13.673  173.719   14.224  141.945   7.1081  159.080   6.5982 -17.13490 9.698527 
1 1 1    8   13   59 o   48.872   9.6253   15.712   6.5340   25.899   11.186   10.436   8.0499   58.807   14.198   38.938   13.000 19.86920 19.25059 
1 1 1    8   13   60 o   53.430   8.3544   24.500   6.9134   0.8628   11.568   37.633   8.6226   33.318   14.294   73.541   8.6522 -40.22316 16.70870 
1 1 1    8   13   61 o  131.863   4.9958  120.120   8.9267  120.883   12.702  119.374   12.548  132.270   7.0863  131.457   7.0439 0.8133087 9.991617 
1 1 1    8   13   62 o   78.021   7.7851   43.012   7.7782   44.561   13.458   42.234   9.5314   78.447   12.660   77.596   9.0642 0.8504257 15.57011 
1 1 1    8   13   63 o   32.748   9.1702   0.8186   6.1114   12.788   10.851  -4.7425   7.3961   42.741   15.064   22.755   10.461 19.98582 18.34040 
1 1 1    8   13   64 o   50.645   9.9823   19.556   6.8443   19.927   11.921   19.374   8.3593   50.663   15.722   50.627   12.305 0.3588104E-01 19.96462 
1 1 1    8   13   65 o   35.327   9.7097   6.8914   6.4437   7.2865   10.903   6.6794   7.9879   37.003   14.649   33.650   12.748 3.353237 19.41945 
1 1 1    8   13   66 o   67.883   8.3503   32.153   7.2736   42.104   12.529   27.095   8.9329   75.572   12.234   60.193   11.368 15.37912 16.70064 
1 1 1    8   13   67 o   33.575   9.2189   5.9312   6.3188  -0.5811   10.244   9.9306   8.0279   29.781   13.104   37.369   12.971 -7.587296 18.43787 
1 1 1    8   13   68 f   76.296   9.4899   44.525   9.5435   38.272   13.200   51.373   13.814   69.561   14.474   83.030   12.277 -13.46913 18.97977 
1 1 1    8   13   69 o   63.889   10.323   32.126   9.1971   20.172   12.565   45.921   13.498   49.764   16.224   78.015   12.768 -28.25188 20.64566 
1 1 1    8   13   70 o   26.704   8.6868  -5.3382   7.2849  -1.7926   9.4200 -10.6141   11.491   27.581   12.325   25.827   12.245 1.753275 17.37366 
1 1 1    8   13   71 o   67.007   13.671   35.596   11.993   35.596   11.993   0.0000   0.0000   67.007   13.671  ?   ?       ?      ? 
1 1 1    8   13   72 o   76.340   12.390   44.341   12.817   44.341   12.817   0.0000   0.0000   76.340   12.390  ?   ?       ?      ? 
1 1 1    8   13   73 o   63.715   10.599   32.625   9.2146   21.220   12.153   48.049   14.133   50.060   15.922   77.370   13.994 -27.31028 21.19828 
1 1 1    8   13   74 o   24.116   8.1113  -9.9079   7.2767  -6.3155   9.4707 -15.0849   11.369   24.638   11.502   23.595   11.440 1.043100 16.22263 
1 1 1    8   13   75 o   73.609   10.345   44.325   9.8942   38.333   13.069   52.371   15.144   67.691   14.671   79.527   14.590 -11.83644 20.69060 
1 1 1    8   13   76 o   48.604   11.662   21.253   9.2175   23.113   12.539   19.067   13.596   50.784   16.175   46.423   16.804 4.360821 23.32453 
1 1 1    8   13   77 o   53.738   17.030   27.230   13.913   0.0000   0.0000   27.230   13.913  ?   ?    53.738   17.030      ?      ? 
1 1 1    8   13   78 o   67.608   10.162   39.597   10.411   12.860   14.065   71.996   15.483   40.207   16.385   95.009   12.026 -54.80149 20.32470 
1 1 1    8   13   79 o   42.512   10.975   14.173   9.2817   1.4694   12.875   27.918   13.393   31.683   14.264   53.340   16.682 -21.65686 21.94921 
1 1 1    8   13   80 o   32.186   9.8975   1.4173   8.6811   13.257   12.500  -9.6131   12.065   38.953   15.599   25.419   12.187 13.53432 19.79504 
1 1 1    8   14    0 o  209.370   4.7094  297.559   13.335  297.496   18.286  297.629   19.488  209.358   6.4453  209.381   6.8682 -0.2226257E-01 9.418781 
1 1 1    8   14    1 o  109.095   5.3426   80.324   7.8640   75.663   10.539   86.178   11.812  105.554   7.3682  112.637   7.7384 -7.082710 10.68517 
1 1 1    8   14    2 o  268.687   4.9034  489.812   17.831  483.882   24.538  496.447   25.955  266.977   6.7825  270.397   7.0832 -3.420471 9.806860 
1 1 1    8   14    3 o   88.319   6.1313   54.294   7.1471   60.723   9.4812   45.834   10.877   94.558   7.3992   82.080   9.7787 12.47770 12.26260 
1 1 1    8   14    4 o  348.481   6.7361  833.561   29.468  846.478   35.669  805.792   52.298  353.033   7.4557  343.929   11.221 9.104462 13.47216 
1 1 1    8   14    5 o  157.357   6.1148  165.589   11.704  162.239   13.726  174.516   22.407  154.596   6.5516  160.119   10.327 -5.522751 12.22965 
1 1 1    8   14    6 o  233.698   6.0555  376.868   17.525  385.521   21.030  357.208   31.700  238.311   6.5121  229.084   10.211 9.227097 12.11097 
1 1 1    8   14    7 f  195.535   5.8768  246.596   14.065  230.601   16.410  290.888   27.307  184.306   6.5702  206.764   9.7458 -22.45766 11.75363 
1 1 1    8   14    8 o  321.408   6.4687  696.495   25.924  687.229   30.983  718.121   47.334  318.105   7.1874  324.710   10.757 -6.604767 12.93742 
1 1 1    8   14    9 f  237.342   4.7764  380.652   15.317  359.735   20.708  405.919   22.760  230.186   6.6386  244.498   6.8692 -14.31252 9.552813 
1 1 1    8   14   10 o   46.966   8.9891   15.667   5.8228   16.619   7.5706   14.288   9.1108   48.412   11.675   45.519   13.671 2.893066 17.97818 
1 1 1    8   14   11 o  315.888   5.1610  678.034   22.081  685.573   30.830  670.095   31.640  317.706   7.1610  314.070   7.4341 3.636261 10.32206 
1 1 1    8   14   12 o  333.287   6.2088  746.348   23.521  738.872   26.705  772.204   49.664  329.941   5.9728  336.632   10.887 -6.691650 12.41764 
1 1 1    8   14   13 o  366.551   6.4614  900.628   26.949  889.525   30.595  939.057   56.920  361.984   6.2371  371.117   11.318 -9.133453 12.92281 
1 1 1    8   14   14 o  192.712   5.7558  258.672   12.343  263.565   13.999  241.587   26.157  197.092   5.2415  188.332   10.249 8.760605 11.51167 
1 1 1    8   14   15 o  301.051   5.9841  609.373   20.443  603.684   23.200  629.136   43.243  298.238   5.7403  303.863   10.502 -5.624298 11.96810 
1 1 1    8   14   16 o  350.723   6.6704  826.566   29.184  810.284   34.843  864.843   53.423  345.315   7.4459  356.131   11.070 -10.81577 13.34088 
1 1 1    8   14   17 o  324.756   6.4980  710.803   26.329  700.079   31.471  735.814   48.062  320.991   7.2351  328.521   10.796 -7.530182 12.99596 
1 1 1    8   14   18 o  225.991   5.9273  339.245   16.489  328.494   19.441  366.805   31.127  219.930   6.5232  232.051   9.8985 -12.12149 11.85459 
1 1 1    8   14   19 o  101.200   6.7988   70.887   7.4583   71.669   8.3647   67.852   16.474  102.743   6.0078   99.657   12.198 3.085884 13.59760 
1 1 1    8   14   20 o  143.205   5.7590  135.666   9.2050  132.865   10.350  146.268   20.134  139.913   5.4588  146.496   10.142 -6.582626 11.51790 
1 1 1    8   14   21 o  196.125   5.5336  256.623   12.260  252.726   13.868  270.564   26.232  192.971   5.3034  199.279   9.7137 -6.308167 11.06719 
1 1 1    8   14   22 o   90.146   6.9489   54.554   7.0409   53.912   7.9557   56.874   15.124   89.084   6.5902   91.208   12.236 -2.124359 13.89774 
1 1 1    8   14   23 o  211.942   5.7293  317.488   13.800  328.289   15.851  283.656   28.053  219.925   5.3185  203.960   10.150 15.96448 11.45865 
1 1 1    8   14   24 o  240.435   6.8903  394.703   22.410  409.347   31.169  379.030   32.243  245.112   9.3836  235.758   10.092 9.353668 13.78069 
1 1 1    8   14   25 o  228.956   6.8081  357.721   21.096  367.435   29.355  347.347   30.337  232.216   9.3284  225.696   9.9188 6.519653 13.61627 
1 1 1    8   14   26 o  212.229   5.6082  304.888   13.630  303.523   15.546  309.421   28.337  211.443   5.4257  213.015   9.8168 -1.571106 11.21637 
1 1 1    8   14   27 o   98.788   7.9260   66.409   10.611   66.409   10.611   0.0000   0.0000   98.788   7.9260  ?   ?       ?      ? 
1 1 1    8   14   28 o  297.534   7.1346  601.971   28.767  601.971   28.767   0.0000   0.0000  297.534   7.1346  ?   ?       ?      ? 
1 1 1    8   14   29 o  203.874   6.1340  289.334   15.691  300.439   19.109  266.346   27.494  210.232   6.7075  197.515   10.272 12.71651 12.26798 
1 1 1    8   14   30 o   49.866   10.535   16.831   7.3137   15.934   8.8922   18.708   12.858   47.511   13.290   52.220   16.349 -4.708374 21.06909 
1 1 1    8   14   31 o  256.148   6.1688  452.116   19.946  461.253   24.292  433.207   34.946  260.443   6.8828  251.854   10.239 8.589615 12.33754 
1 1 1    8   14   32 o  124.656   6.3021  106.909   8.9536  107.752   10.225  104.138   18.541  125.930   5.9917  123.383   11.089 2.546745 12.60417 
1 1 1    8   14   33 f  297.648   6.1253  620.725   21.106  637.338   24.394  571.242   42.099  306.273   5.8774  289.024   10.749 17.24927 12.25068 
1 1 1    8   14   34 o  209.778   5.7774  301.385   13.999  302.845   16.067  296.786   28.521  211.140   5.6155  208.416   10.098 2.724060 11.55476 
1 1 1    8   14   35 o  247.764   5.7784  413.295   16.477  408.900   18.809  427.799   34.168  245.327   5.6575  250.201   10.077 -4.873474 11.55679 
1 1 1    8   14   36 o  225.493   5.7397  350.190   14.958  353.668   17.195  339.374   30.324  228.159   5.5614  222.827   10.042 5.332565 11.47937 
1 1 1    8   14   37 o  103.062   7.3188   80.367   8.3661   87.679   9.6909   58.974   16.576  113.553   6.2977   92.572   13.213 20.98145 14.63751 
1 1 1    8   14   38 o  173.239   5.7127  201.692   11.476  199.044   13.138  210.219   23.575  171.140   5.6651  175.339   9.9219 -4.199448 11.42532 
1 1 1    8   14   39 o  221.924   5.6817  329.823   14.591  324.456   16.676  347.357   30.140  218.492   5.6320  225.357   9.8695 -6.864944 11.36338 
1 1 1    8   14   40 o  325.485   6.2545  734.136   23.662  744.594   27.310  702.639   47.394  330.878   6.0907  320.092   10.926 10.78586 12.50900 
1 1 1    8   14   41 o  102.042   7.5425   71.472   9.8043   71.596   11.987   71.220   17.042  102.387   8.6390  101.697   12.366 0.6902084 15.08493 
1 1 1    8   14   42 o  128.967   6.6864  113.714   11.084  113.457   13.660  114.207   18.964  128.958   7.8166  128.975   10.850 -0.1718140E-01 13.37281 
1 1 1    8   14   43 o   91.885   7.7637   59.451   8.8280   61.732   10.643   54.422   15.804   95.063   8.2620   88.708   13.147 6.355354 15.52749 
1 1 1    8   14   44 o  167.122   4.7415  190.272   10.721  176.148   14.991  205.057   15.339  160.750   6.8819  173.493   6.5243 -12.74277 9.482993 
1 1 1    8   14   45 o  147.880   4.8315  148.997   9.6779  154.805   13.910  143.548   13.474  150.673   6.8124  145.086   6.8530 5.586914 9.662940 
1 1 1    8   14   46 o   77.187   6.4636   40.915   6.7384   40.261   9.8970   41.480   9.2002   76.570   9.5381   77.805   8.7258 -1.234550 12.92728 
1 1 1    8   14   47 o   87.553   5.9538   52.628   7.0458   50.829   10.228   54.253   9.7198   86.085   8.7678   89.021   8.0572 -2.935768 11.90763 
1 1 1    8   14   48 o  197.463   5.6821  269.117   14.527  274.096   18.150  260.241   24.232  200.358   6.6846  194.567   9.1904 5.790756 11.36428 
1 1 1    8   14   49 o   49.582   9.9711   17.976   6.9244   19.377   8.6640   15.497   11.521   51.726   12.499   47.437   15.539 4.289295 19.94216 
1 1 1    8   14   50 o  125.776   6.5051  107.106   10.248  104.092   12.259  114.098   18.675  123.276   7.3383  128.276   10.743 -5.000412 13.01027 
1 1 1    8   14   51 o  117.646   6.5405   89.450   9.7330   79.769   11.575  112.821   17.984  107.762   7.9261  127.530   10.406 -19.76837 13.08095 
1 1 1    8   14   52 o  127.857   5.0929  112.101   8.7989  123.737   12.620  101.095   12.274  134.369   6.9309  121.344   7.4641 13.02441 10.18578 
1 1 1    8   14   53 o  143.580   4.8787  141.440   9.4888  136.922   13.415  145.964   13.423  141.257   7.0080  145.903   6.7892 -4.646011 9.757319 
1 1 1    8   14   54 o   76.927   6.2785   41.163   6.5115   36.923   9.2904   45.258   9.1290   72.914   9.4024   80.939   8.3230 -8.024773 12.55694 
1 1 1    8   14   55 o  132.298   4.9686  120.355   8.9036  125.625   12.709  115.275   12.477  135.166   6.9385  129.430   7.1139 5.735947 9.937284 
1 1 1    8   14   56 o  111.474   5.2752   85.946   7.9513   81.179   11.392   90.474   11.103  108.370   7.7572  114.576   7.1511 -6.206078 10.55049 
1 1 1    8   14   57 f   71.385   6.6745   35.595   6.4396   39.275   9.2891   32.191   8.9352   75.001   9.1395   67.768   9.7296 7.232803 13.34897 
1 1 1    8   14   58 o  110.292   7.4365   84.227   11.115   0.0000   0.0000   84.227   11.115  ?   ?   110.292   7.4365      ?      ? 
1 1 1    8   14   59 o   46.338   12.766   16.076   8.2724   0.0000   0.0000   16.076   8.2724  ?   ?    46.338   12.766      ?      ? 
1 1 1    8   14   60 o   78.999   7.6600   44.325   7.6518   45.362   13.515   43.836   9.2830   78.936   12.634   79.062   8.6644 -0.1256714 15.31991 
1 1 1    8   14   61 o   42.697   10.188   12.901   6.6739   14.435   11.742   12.169   8.1115   44.690   15.677   40.703   13.015 3.987129 20.37526 
1 1 1    8   14   62 o   48.098   9.7204   18.679   6.7688   12.082   11.759   21.947   8.2776   42.134   15.569   54.061   11.643 -11.92647 19.44085 
1 1 1    8   14   63 o   72.552   8.7682   42.245   7.6582   30.793   12.852   48.549   9.5360   62.179   15.346   82.925   8.4859 -20.74604 17.53633 
1 1 1    8   14   64 o   29.699   9.3097  -1.2767   7.4282  -1.0438   10.120  -1.5488   10.938   29.319   12.956   30.079   13.372 -0.7593174 18.61943 
1 1 1    8   14   65 o  107.714   7.8885   84.306   11.237   62.399   15.207  110.656   16.678   91.572   12.255  123.856   9.9367 -32.28441 15.77707 
1 1 1    8   14   66 o   59.669   8.9911   25.652   8.6754   1.4488   11.719   54.994   12.904   32.776   14.225   86.562   11.000 -53.78606 17.98219 
1 1 1    8   14   67 o   38.523   10.349   8.9345   7.8123   2.6734   11.006   15.292   11.091   32.737   13.991   44.310   15.253 -11.57312 20.69807 
1 1 1    8   14   68 o   96.062   9.2590   70.580   10.743   38.820   14.370  110.818   16.174   68.504   15.802  123.619   9.6552 -55.11538 18.51795 
1 1 1    8   14   69 o   46.252   11.104   16.965   8.3203   13.632   11.150   21.153   12.499   42.244   15.229   50.260   16.164 -8.016575 22.20841 
1 1 1    8   14   70 f   30.032   13.141   0.6723   10.175   0.6723   10.175   0.0000   0.0000   30.032   13.141  ?   ?       ?      ? 
1 1 1    8   14   71 o   65.449   14.092   34.897   12.129   34.897   12.129   0.0000   0.0000   65.449   14.092  ?   ?       ?      ? 
1 1 1    8   14   72 o   57.720   11.104   28.694   8.8933   27.638   12.079   29.945   13.143   56.831   15.331   58.608   16.068 -1.776718 22.20855 
1 1 1    8   14   73 o   35.902   10.462   7.3928   8.1428   7.1629   10.667   7.7140   12.606   35.006   14.268   36.797   15.304 -1.791065 20.92354 
1 1 1    8   14   74 o   81.021   9.8325   53.153   10.270   37.212   13.725   73.440   15.482   64.929   15.758   97.112   11.765 -32.18281 19.66493 
1 1 1    8   14   75 o   32.486   10.014   3.2467   8.3022   1.0763   11.454   5.6495   12.051   30.722   13.670   34.249   14.639 -3.526703 20.02880 
1 1 1    8   14   76 o   45.477   16.337   19.408   12.820   0.0000   0.0000   19.408   12.820  ?   ?    45.477   16.337      ?      ? 
1 1 1    8   14   77 o   47.342   15.932   21.610   12.092   21.610   12.092   0.0000   0.0000   47.342   15.932  ?   ?       ?      ? 
1 1 1    8   15    0 o  148.083   4.9192  148.547   9.8363  144.328   13.282  153.671   14.638  145.773   6.7237  150.392   7.1824 -4.619019 9.838424 
1 1 1    8   15    1 o  293.159   6.0505  581.821   23.157  594.898   38.477  574.395   28.996  295.581   9.6059  290.738   7.3596 4.843689 12.10107 
1 1 1    8   15    2 o  182.479   6.4680  225.861   15.920  219.066   21.370  234.336   23.864  179.437   8.7883  185.521   9.4923 -6.084839 12.93594 
1 1 1    8   15    3 o  315.182   6.3570  683.387   25.557  698.545   31.440  653.863   43.879  320.632   7.2360  309.732   10.454 10.89932 12.71404 
1 1 1    8   15    4 o  124.412   5.2361  104.447   8.7805   98.457   11.708  112.147   13.274  120.376   7.1771  128.449   7.6261 -8.073494 10.47226 
1 1 1    8   15    5 o  169.723   4.8168  194.947   11.042  187.317   14.907  204.222   16.435  166.069   6.6239  173.377   6.9950 -7.307877 9.633659 
1 1 1    8   15    6 o  191.600   4.7929  248.125   12.408  233.590   16.776  265.677   18.435  185.444   6.6758  197.756   6.8790 -12.31190 9.585773 
1 1 1    8   15    7 o  241.536   5.7447  393.073   18.197  411.178   30.062  382.604   22.860  245.780   9.0259  237.292   7.1090 8.488281 11.48935 
1 1 1    8   15    8 o  240.719   5.8123  396.977   18.377  382.223   29.623  406.208   23.431  236.937   9.2260  244.501   7.0718 -7.563873 11.62450 
1 1 1    8   15    9 o  198.679   5.6926  270.416   14.937  259.387   23.708  277.676   19.235  195.207   8.9622  202.152   7.0216 -6.944473 11.38526 
1 1 1    8   15   10 o   59.692   9.4303   25.759   7.4515   20.697   10.996   30.057   10.133   54.041   14.648   65.344   11.881 -11.30270 18.86061 
1 1 1    8   15   11 o  170.458   4.8345  197.701   11.140  202.026   15.331  192.862   16.216  172.454   6.5601  168.461   7.1032 3.993622 9.669013 
1 1 1    8   15   12 o  215.909   5.6902  304.540   13.588  295.855   15.200  339.105   30.323  208.779   5.3724  223.039   10.032 -14.26015 11.38037 
1 1 1    8   15   13 o  166.005   5.8565  187.612   10.581  187.686   11.850  187.320   23.504  166.293   5.2583  165.717   10.466 0.5754395 11.71291 
1 1 1    8   15   14 o  224.706   5.8217  350.957   14.552  356.756   16.494  330.586   30.915  229.261   5.3091  220.152   10.363 9.108658 11.64336 
1 1 1    8   15   15 f  140.171   6.1425  130.592   9.1942  128.666   10.196  138.972   21.272  137.673   5.4650  142.670   11.003 -4.997833 12.28505 
1 1 1    8   15   16 f  130.964   5.9674  106.461   8.5623  100.024   9.4849  134.801   19.903  121.370   5.7668  140.557   10.449 -19.18633 11.93488 
1 1 1    8   15   17 o  171.362   5.7304  195.423   10.854  192.309   12.174  207.497   23.971  168.314   5.3373  174.411   10.142 -6.097046 11.46076 
1 1 1    8   15   18 o   48.022   9.9925   15.607   6.0046   15.714   6.7000   15.168   13.535   47.052   10.744   48.993   16.851 -1.941330 19.98495 
1 1 1    8   15   19 o  152.485   7.1334  155.729   14.605  135.124   19.198  184.034   22.501  140.734   10.066  164.236   10.110 -23.50209 14.26687 
1 1 1    8   15   20 o  104.948   10.725   75.223   15.253   75.223   15.253   0.0000   0.0000  104.948   10.725  ?   ?       ?      ? 
1 1 1    8   15   21 o  215.426   5.4249  315.102   15.837  315.102   15.837   0.0000   0.0000  215.426   5.4249  ?   ?       ?      ? 
1 1 1    8   15   22 o   80.746   7.1384   44.339   7.8109   44.339   7.8109   0.0000   0.0000   80.746   7.1384  ?   ?       ?      ? 
1 1 1    8   15   23 o   99.152   6.9774   64.377   7.6634   62.480   8.5767   71.884   17.066   95.873   6.6015  102.431   12.295 -6.557457 13.95487 
1 1 1    8   15   24 o  172.357   5.8274  197.483   11.235  193.872   12.650  210.962   24.441  168.959   5.5250  175.755   10.262 -6.795990 11.65474 
1 1 1    8   15   25 o  186.218   5.8120  237.338   12.174  238.268   13.813  234.100   25.768  187.310   5.4420  185.126   10.271 2.184509 11.62399 
1 1 1    8   15   26 o   74.984   7.8904   34.396   6.8889   31.012   7.7743   46.766   14.863   67.462   8.5040   82.507   13.294 -15.04531 15.78088 
1 1 1    8   15   27 o  228.213   5.8520  359.526   15.319  363.786   17.560  345.955   31.338  231.419   5.5994  225.007   10.278 6.412384 11.70404 
1 1 1    8   15   28 o  166.775   6.0814  194.917   11.521  199.630   13.196  179.804   23.630  171.420   5.6805  162.131   10.755 9.288681 12.16287 
1 1 1    8   15   29 o  153.752   5.7481  145.313   10.218  132.663   11.511  192.298   22.185  139.709   6.0803  167.795   9.7567 -28.08586 11.49616 
1 1 1    8   15   30 o  129.061   6.3097  115.617   9.2693  117.361   10.600  109.951   19.107  131.409   5.9526  126.713   11.127 4.696259 12.61937 
1 1 1    8   15   31 o  121.616   6.4440  102.058   8.8670  102.991   10.099   98.921   18.523  123.089   6.0547  120.142   11.377 2.947090 12.88796 
1 1 1    8   15   32 o  118.247   6.4086   94.465   8.7510   93.579   10.009   97.342   18.032  117.308   6.2960  119.185   11.164 -1.876434 12.81728 
1 1 1    8   15   33 o  150.312   6.1179  163.298   10.444  172.004   12.062  137.235   20.870  159.094   5.5950  141.530   10.882 17.56444 12.23581 
1 1 1    8   15   34 o  123.811   6.0428   97.757   8.7368   91.725   9.9328  118.378   18.365  116.124   6.3120  131.497   10.306 -15.37304 12.08557 
1 1 1    8   15   35 o   68.781   9.2457   36.645   7.0588   39.787   8.1189   26.916   14.287   76.390   7.8429   61.171   16.746 15.21870 18.49137 
1 1 1    8   15   36 o  139.085   6.1065  132.566   9.9178  133.015   11.439  131.207   19.902  139.841   6.0365  138.329   10.617 1.511993 12.21302 
1 1 1    8   15   37 f   75.458   9.3979   41.772   8.8444   46.213   11.148   34.226   14.530   82.127   10.016   68.789   15.905 13.33770 18.79587 
1 1 1    8   15   38 o  172.841   6.1291  200.186   13.560  192.402   16.497  216.397   23.807  167.992   7.2467  177.689   9.8868 -9.697433 12.25818 
1 1 1    8   15   39 o  134.975   6.1845  125.713   9.7096  126.785   11.194  122.459   19.510  136.479   6.0527  133.471   10.787 3.008224 12.36898 
1 1 1    8   15   40 f  149.446   6.0738  157.311   10.530  161.852   12.193  143.983   20.890  154.206   5.8346  144.686   10.655 9.520401 12.14761 
1 1 1    8   15   41 o  105.312   6.5209   66.848   8.2537   57.646   9.4260   97.095   17.089   91.864   7.5718  118.760   10.619 -26.89535 13.04184 
1 1 1    8   15   42 o  219.531   5.7320  325.288   14.557  321.187   16.652  338.580   29.978  217.194   5.6576  221.867   9.9707 -4.673737 11.46405 
1 1 1    8   15   43 o  161.883   5.9869  182.114   11.308  184.615   13.077  174.695   22.519  164.605   5.8623  159.160   10.441 5.444931 11.97386 
1 1 1    8   15   44 o  233.026   5.7145  370.032   18.045  370.032   18.045   0.0000   0.0000  233.026   5.7145  ?   ?       ?      ? 
1 1 1    8   15   45 o  119.684   6.4729   97.824   10.498   97.824   10.498   0.0000   0.0000  119.684   6.4729  ?   ?       ?      ? 
1 1 1    8   15   46 o  160.152   6.0003  180.632   11.198  185.073   12.981  167.720   22.134  164.705   5.8161  155.600   10.497 9.105652 12.00062 
1 1 1    8   15   47 o  103.505   7.1526   73.235   9.3532   71.535   11.286   76.962   16.715  102.008   8.1640  105.001   11.747 -2.992500 14.30517 
1 1 1    8   15   48 o   80.721   7.7381   41.912   8.0451   34.895   9.7039   57.338   14.388   70.913   10.098   90.529   11.728 -19.61579 15.47627 
1 1 1    8   15   49 o   50.617   8.5909   18.891   5.8619   15.265   8.5190   22.151   8.0784   45.849   13.073   55.385   11.149 -9.535892 17.18173 
1 1 1    8   15   50 o  108.952   5.2824   81.616   7.7948   83.354   11.253   80.012   10.807  110.050   7.5459  107.854   7.3941 2.195740 10.56476 
1 1 1    8   15   51 o  118.254   5.0772   96.163   8.1332   98.085   11.701   94.368   11.313  119.383   7.2328  117.125   7.1274 2.257736 10.15449 
1 1 1    8   15   52 o   66.235   7.6247   33.226   6.2284   16.980   8.8254   49.348   8.7914   47.933   13.178   84.536   7.6742 -36.60343 15.24941 
1 1 1    8   15   53 o   81.787   5.9458   46.387   6.5827   47.748   9.5822   45.171   9.0586   82.892   8.5304   80.682   8.2852 2.210396 11.89169 
1 1 1    8   15   54 o   42.598   8.8659   13.313   5.4512   13.225   8.0476   13.387   7.4102   42.531   12.866   42.664   12.202 -0.1332016 17.73189 
1 1 1    8   15   55 o   80.660   7.7380   45.131   7.7869   49.215   14.318   43.415   9.2793   82.488   12.808   78.833   8.6861 3.654755 15.47592 
1 1 1    8   15   56 o   51.268   11.708   19.564   7.9560   0.0000   0.0000   19.564   7.9560  ?   ?    51.268   11.708      ?      ? 
1 1 1    8   15   57 o   33.714   12.567   6.8242   7.6948   0.0000   0.0000   6.8242   7.6948  ?   ?    33.714   12.567      ?      ? 
1 1 1    8   15   58 o   32.261   9.2492   0.7248   6.1637   11.534   11.142  -4.0422   7.3991   41.366   15.176   23.157   10.578 18.20852 18.49834 
1 1 1    8   15   59 o   50.493   10.101   20.046   6.9810   18.043   12.513   20.951   8.4119   48.384   16.208   52.603   12.058 -4.218853 20.20115 
1 1 1    8   15   60 o   83.461   7.6592   50.784   8.0972   49.403   14.037   51.473   9.9128   81.594   12.695   85.328   8.5728 -3.733391 15.31831 
1 1 1    8   15   61 o   56.455   10.778   25.512   8.5140   21.140   11.852   30.174   12.239   51.344   15.632   61.567   14.842 -10.22244 21.55575 
1 1 1    8   15   62 o   46.244   10.535   15.583   7.9645   7.6785   10.793   25.035   11.802   36.832   14.577   55.657   15.213 -18.82537 21.06914 
1 1 1    8   15   63 o   30.162   9.2873   0.1984   7.2015   3.1781   9.9749  -3.0456   10.408   32.063   13.494   28.261   12.764 3.802708 18.57457 
1 1 1    8   15   64 o   62.923   10.482   31.969   8.8315   27.060   12.259   37.266   12.734   57.377   15.431   68.469   14.190 -11.09178 20.96366 
1 1 1    8   15   65 o   40.787   10.518   11.692   7.7316   7.1329   10.703   16.668   11.181   35.911   14.415   45.664   15.321 -9.752415 21.03602 
1 1 1    8   15   66 o   43.780   10.745   15.104   7.7895   15.048   10.890   15.162   11.146   43.698   15.111   43.863   15.280 -0.1648827 21.49019 
1 1 1    8   15   67 o   36.244   10.277   7.6201   7.6524   6.9886   10.320   8.3913   11.406   35.217   14.148   37.270   14.909 -2.052738 20.55333 
1 1 1    8   15   68 o   41.120   10.577   11.792   7.8977   5.6833   10.582   19.474   11.866   34.158   14.099   48.083   15.771 -13.92528 21.15425 
1 1 1    8   15   69 o   47.546   15.348   19.145   11.260   19.145   11.260   0.0000   0.0000   47.546   15.348  ?   ?       ?      ? 
1 1 1    8   15   70 o   40.757   14.995   13.136   10.889   13.136   10.889   0.0000   0.0000   40.757   14.995  ?   ?       ?      ? 
1 1 1    8   15   71 o   37.044   10.554   8.4755   8.1466   4.7338   10.760   13.501   12.470   32.928   13.944   41.160   15.847 -8.231964 21.10875 
1 1 1    8   15   72 o   40.438   10.879   11.644   8.5075   4.6959   11.194   21.144   13.090   32.997   14.106   47.879   16.566 -14.88251 21.75813 
1 1 1    8   15   73 o   37.895   14.623   11.371   10.637   11.371   10.637   0.0000   0.0000   37.895   14.623  ?   ?       ?      ? 
1 1 1    8   16    0 o  235.396   4.9220  377.118   15.675  386.631   21.732  366.801   22.632  238.519   6.7234  232.272   7.1902 6.247025 9.843939 
1 1 1    8   16    1 o  143.949   5.1481  140.273   9.9949  134.898   13.395  147.024   15.013  140.870   7.0169  147.028   7.5348 -6.158432 10.29611 
1 1 1    8   16    2 o  132.265   5.2228  118.980   9.3220  119.120   12.623  118.811   13.825  132.373   7.0370  132.157   7.7196 0.2162628 10.44569 
1 1 1    8   16    3 o  122.696   5.4012  102.733   8.9140  105.359   11.990   99.487   13.328  124.487   7.1075  120.905   8.1348 3.582367 10.80238 
1 1 1    8   16    4 o  264.932   5.0168  477.252   17.988  478.327   24.831  476.066   26.094  265.269   6.9074  264.595   7.2775 0.6746216 10.03366 
1 1 1    8   16    5 o   93.236   6.1525   58.865   7.7202   56.482   10.248   61.992   11.740   91.088   8.3018   95.384   9.0826 -4.295357 12.30504 
1 1 1    8   16    6 o   52.627   9.1246   19.900   6.4685   22.037   8.7636   17.342   9.5874   55.710   11.965   49.543   13.779 6.166862 18.24921 
1 1 1    8   16    7 o  101.325   6.7234   69.680   9.1723   72.715   13.898   67.338   12.209  103.242   9.9335   99.408   9.0631 3.833977 13.44674 
1 1 1    8   16    8 o  116.989   6.9336   99.521   9.9439  110.391   12.171   77.703   17.245  127.420   7.0488  106.559   11.942 20.86131 13.86722 
1 1 1    8   16    9 o  174.647   5.0090  208.134   11.804  217.498   16.202  197.541   17.233  178.882   6.6838  170.412   7.4624 8.470230 10.01800 
1 1 1    8   16   10 o  203.124   4.9443  281.580   13.554  306.658   18.995  255.566   19.345  212.411   6.5989  193.837   7.3648 18.57430 9.888612 
1 1 1    8   16   11 o  134.267   5.3120  123.019   9.6154  126.813   13.076  118.551   14.189  136.560   7.0657  131.975   7.9337 4.585281 10.62394 
1 1 1    8   16   12 o  329.899   6.0531  739.396   27.061  739.396   27.061   0.0000   0.0000  329.899   6.0531  ?   ?       ?      ? 
1 1 1    8   16   13 o  177.590   5.5081  214.173   13.256  214.173   13.256   0.0000   0.0000  177.590   5.5081  ?   ?       ?      ? 
1 1 1    8   16   14 o  140.473   10.025  134.711   19.084  134.711   19.084   0.0000   0.0000  140.473   10.025  ?   ?       ?      ? 
1 1 1    8   16   15 o  144.486   5.6415  141.794   11.046  141.794   11.046   0.0000   0.0000  144.486   5.6415  ?   ?       ?      ? 
1 1 1    8   16   16 o  101.688   7.4459   72.745   8.0330   74.085   8.9674   67.304   18.074  104.404   6.3382   98.973   13.476 5.430183 14.89176 
1 1 1    8   16   17 f  108.173   6.8962   78.082   8.0989   76.907   9.0301   82.913   18.312  106.375   6.2643  109.971   12.288 -3.596016 13.79241 
1 1 1    8   16   18 o  149.688   6.1687  150.832   10.189  149.469   11.441  156.055   22.405  148.334   5.6917  151.042   10.946 -2.708603 12.33741 
1 1 1    8   16   19 o   71.777   9.0076   29.561   7.2658   24.672   8.1102   49.439   16.354   60.102   9.9578   83.453   15.013 -23.35066 18.01527 
1 1 1    8   16   20 o   90.838   9.9257   81.564   8.5354   99.800   9.8240   25.407   17.239  121.186   5.9821   60.490   18.929 60.69595 19.85136 
1 1 1    8   16   21 o   75.357   8.5850   37.014   7.2026   34.922   8.1375   44.582   15.477   71.581   8.3890   79.134   14.981 -7.553017 17.17008 
1 1 1    8   16   22 o   96.025   7.3104   63.858   7.7900   64.482   8.8084   61.618   16.690   97.369   6.6756   94.682   13.008 2.686569 14.62090 
1 1 1    8   16   23 o   73.388   9.2684   39.948   7.1909   41.553   8.1033   34.002   15.599   78.113   7.6552   68.663   16.882 9.449722 18.53689 
1 1 1    8   16   24 o  194.030   5.8490  250.432   12.706  245.771   14.313  267.774   27.607  190.193   5.5531  197.867   10.296 -7.673752 11.69800 
1 1 1    8   16   25 o  120.932   6.5768   96.857   8.8519   94.672   9.9401  105.229   19.458  117.997   6.2163  123.867   11.592 -5.869385 13.15369 
1 1 1    8   16   26 o  151.411   6.1633  158.311   10.440  159.805   11.839  153.083   22.142  153.343   5.6972  149.479   10.931 3.863953 12.32651 
1 1 1    8   16   27 o  120.261   6.4564   94.720   8.8086   91.542   9.9422  106.321   18.995  116.011   6.3241  124.510   11.258 -8.498093 12.91273 
1 1 1    8   16   28 o   23.159   7.8431  -9.2793   5.8848  -7.1017   6.6770 -16.8571   12.456   20.250   9.5190   26.068   12.468 -5.817558 15.68612 
1 1 1    8   16   29 o  179.456   6.0343  229.082   12.203  237.196   13.977  203.066   25.028  186.809   5.5213  172.102   10.732 14.70724 12.06863 
1 1 1    8   16   30 o   84.413   8.7592   53.982   7.7376   57.271   8.8074   42.855   16.198   91.692   7.0882   77.133   16.020 14.55815 17.51849 
1 1 1    8   16   31 o  125.341   6.8423  104.418   10.833   99.255   12.987  116.224   19.639  120.609   7.9461  130.074   11.141 -9.464935 13.68469 
1 1 1    8   16   32 o  201.981   6.2077  278.569   15.786  278.000   19.073  279.807   28.125  201.986   6.9683  201.976   10.276 0.1068115E-01 12.41543 
1 1 1    8   16   33 o   53.312   10.042   21.460   6.9446   23.528   8.0348   15.354   13.808   57.641   10.679   48.983   17.010 8.658318 20.08498 
1 1 1    8   16   34 o   90.927   7.3578   56.194   7.7323   55.642   8.8494   57.978   15.899   90.316   7.2304   91.539   12.817 -1.222763 14.71553 
1 1 1    8   16   35 o  137.579   6.4798  133.386   10.055  136.549   11.486  123.013   20.802  141.615   5.9854  133.543   11.495 8.072113 12.95967 
1 1 1    8   16   36 o   79.140   8.4647   43.959   7.3807   43.952   8.4173   43.983   15.352   80.193   7.7456   78.086   15.054 2.106323 16.92949 
1 1 1    8   16   37 o  128.991   6.4372  117.358   9.3687  120.110   10.704  108.343   19.372  132.781   5.9487  125.202   11.418 7.578400 12.87436 
1 1 1    8   16   38 o  168.523   5.9691  197.406   11.492  199.856   13.157  189.521   23.600  171.294   5.6679  165.753   10.507 5.541534 11.93812 
1 1 1    8   16   39 o  128.819   6.1560  113.182   10.746  113.182   10.746   0.0000   0.0000  128.819   6.1560  ?   ?       ?      ? 
1 1 1    8   16   40 o   48.008   11.863   16.643   7.6729   16.643   7.6729   0.0000   0.0000   48.008   11.863  ?   ?       ?      ? 
1 1 1    8   16   41 o  135.364   6.5481  124.949   11.066  122.891   13.238  129.722   20.161  133.965   7.2917  136.762   10.879 -2.796860 13.09627 
1 1 1    8   16   42 o   63.546   9.7304   26.692   7.7701   20.841   9.3753   39.527   13.886   53.469   13.053   73.623   14.434 -20.15374 19.46074 
1 1 1    8   16   43 o  113.318   7.0500   88.723   9.9800   88.311   11.984   89.656   18.028  113.379   7.7997  113.258   11.746 0.1207962 14.10000 
1 1 1    8   16   44 o  153.347   6.2890  159.766   12.056  155.645   14.408  169.391   22.016  150.643   7.0578  156.050   10.411 -5.406662 12.57794 
1 1 1    8   16   45 o  113.380   7.2104   94.004   10.028  101.695   12.191   77.908   17.636  121.636   7.3960  105.125   12.380 16.51143 14.42083 
1 1 1    8   16   46 o   35.628   9.8641   4.8652   6.1560   3.0917   7.1067   10.196   12.321   29.198   11.737   42.059   15.857 -12.86075 19.72815 
1 1 1    8   16   47 o  145.684   5.9009  139.512   10.067  132.709   11.497  161.870   20.843  139.162   6.0964  152.206   10.105 -13.04359 11.80184 
1 1 1    8   16   48 o   80.130   7.5436   39.978   7.2286   34.905   8.2457   56.820   15.024   70.920   8.5798   89.339   12.410 -18.41891 15.08714 
1 1 1    8   16   49 o   52.885   9.5800   19.524   6.3332   17.706   7.4197   24.403   12.156   49.088   11.376   56.682   15.417 -7.594063 19.15993 
1 1 1    8   16   50 o   74.803   8.8475   39.901   8.5372   37.362   10.792   44.145   13.955   72.612   10.968   76.994   13.886 -4.382027 17.69492 
1 1 1    8   16   51 o   48.160   10.744   17.244   7.7355   17.212   9.9382   17.293   12.321   47.900   14.254   48.420   16.080 -0.5197678 21.48807 
1 1 1    8   16   52 o   58.538   10.336   26.679   8.0054   28.094   10.011   24.169   13.332   61.387   12.460   55.688   16.495 5.699585 20.67233 
1 1 1    8   16   53 o  106.152   8.9448   82.079   12.634   82.351   19.780   81.891   16.420  105.573   13.826  106.730   11.353 -1.156799 17.88952 
1 1 1    8   16   54 o   40.027   15.281   9.8381   11.533   0.0000   0.0000   9.8381   11.533  ?   ?    40.027   15.281      ?      ? 
1 1 1    8   16   55 o   55.470   9.4612   26.740   7.2212   11.941   13.445   32.740   8.5608   43.004   16.480   67.936   9.2990 -24.93116 18.92234 
1 1 1    8   16   56 o  114.905   6.5751   92.250   9.5335   98.645   17.097   89.364   11.485  116.788   10.803  113.023   7.4985 3.764969 13.15021 
1 1 1    8   16   57 o   91.792   8.4594   63.358   10.235   50.441   15.012   74.576   13.991   81.822   13.539  101.761   10.146 -19.93921 16.91878 
1 1 1    8   16   58 o   93.849   8.1200   65.043   10.243   61.434   15.170   68.067   13.886   90.894   12.316   96.805   10.585 -5.911804 16.24008 
1 1 1    8   16   59 f   45.242   10.743   15.871   7.7626   17.158   11.399   14.758   10.600   46.633   15.465   43.851   14.917 2.781837 21.48677 
1 1 1    8   16   60 o   50.163   10.789   20.280   7.9769   22.378   11.755   18.490   10.860   52.323   15.487   48.003   15.024 4.319347 21.57705 
1 1 1    8   16   61 o   47.993   10.544   18.507   7.9298   11.822   11.475   24.617   10.971   40.828   15.321   55.157   14.490 -14.32894 21.08771 
1 1 1    8   16   62 o   85.914   8.6310   55.871   9.9594   48.019   14.053   63.795   14.117   79.161   13.100   92.668   11.242 -13.50620 17.26199 
1 1 1    8   16   63 o   32.309   9.6574   3.0526   7.3189   0.3019   10.034   6.1801   10.699   29.682   13.017   34.937   14.270 -5.254944 19.31487 
1 1 1    8   16   64 o   30.566   9.4097   1.1324   7.3239   2.7017   10.093  -0.6125   10.644   31.409   13.410   29.723   13.204 1.685804 18.81938 
1 1 1    8   16   65 o   43.049   10.654   14.874   7.7346   16.877   10.499   12.496   11.438   45.309   14.833   40.790   15.298 4.519020 21.30887 
1 1 1    8   16   66 o   52.549   10.864   23.620   8.2031   22.978   11.133   24.382   12.133   52.018   14.981   53.080   15.739 -1.062023 21.72860 
1 1 1    8   16   67 o   47.154   15.278   19.098   11.150   19.098   11.150   0.0000   0.0000   47.154   15.278  ?   ?       ?      ? 
1 1 1    8   16   68 o   41.116   15.182   13.780   11.179   13.780   11.179   0.0000   0.0000   41.116   15.182  ?   ?       ?      ? 
1 1 1    8   17    0 o   40.542   8.5960   4.6056   6.6147  -9.1475   8.6437   24.043   10.276   23.060   10.837   58.023   13.347 -34.96333 17.19209 
1 1 1    8   17    1 o  153.164   10.459  160.346   21.709   0.0000   0.0000  160.346   21.709  ?   ?   153.164   10.459      ?      ? 
1 1 1    8   17    2 o  224.811   6.2129  350.777   17.693  362.981   21.704  326.598   30.549  231.008   6.9330  218.614   10.312 12.39340 12.42583 
1 1 1    8   17    3 o  228.665   6.1586  349.101   17.850  336.366   21.521  377.176   31.954  222.349   7.1425  234.981   10.035 -12.63200 12.31712 
1 1 1    8   17    4 o  348.043   6.7948  816.849   29.925  799.294   36.145  855.099   53.354  342.617   7.7850  353.469   11.139 -10.85178 13.58952 
1 1 1    8   17    5 o  171.428   7.5137  200.102   17.417  218.084   25.569  184.536   23.789  178.591   10.565  164.265   10.687 14.32669 15.02748 
1 1 1    8   17    6 o  163.749   6.5756  176.238   13.924  205.297   24.265  161.971   17.002  173.306   10.332  154.192   8.1368 19.11415 13.15118 
1 1 1    8   17    7 o  111.404   7.8717   80.716   11.522  103.094   19.436   68.590   14.307  122.656   11.693  100.152   10.542 22.50411 15.74340 
1 1 1    8   17    8 o  164.618   7.8161  185.869   17.385  191.386   23.915  179.686   25.317  167.288   10.549  161.948   11.536 5.340195 15.63225 
1 1 1    8   17    9 f   84.379   9.5833   52.780   9.8623   40.828   16.378   59.579   12.353   75.361   16.495   93.397   9.7600 -18.03555 19.16660 
1 1 1    8   17   10 o  165.270   5.2206  185.923   11.647  185.856   15.794  186.004   17.245  165.270   7.0519  165.269   7.7000 0.1037598E-02 10.44122 
1 1 1    8   17   11 o  236.116   5.0960  378.876   16.272  371.159   22.214  387.810   23.903  233.553   7.0188  238.679   7.3901 -5.126572 10.19202 
1 1 1    8   17   12 o   71.300   10.523   40.189   8.2773   43.664   9.3440   27.522   17.839   80.018   8.6172   62.582   19.201 17.43584 21.04629 
1 1 1    8   17   13 o   43.206   12.959   12.970   8.1906   12.970   8.1906   0.0000   0.0000   43.206   12.959  ?   ?       ?      ? 
1 1 1    8   17   14 o  183.000   6.4959  229.275   12.380  229.649   13.684  227.587   29.061  183.853   5.4924  182.147   11.774 1.706390 12.99177 
1 1 1    8   17   15 o  165.468   6.1583  184.570   11.141  183.046   12.472  190.591   24.788  164.129   5.6074  166.807   10.966 -2.678528 12.31652 
1 1 1    8   17   16 o  103.730   7.2897   69.391   8.1436   66.830   9.0130   80.780   19.004   99.108   6.7109  108.353   12.943 -9.245071 14.57931 
1 1 1    8   17   17 o   83.876   8.0878   46.037   7.3665   44.622   8.1870   52.053   16.882   80.940   7.4641   86.811   14.351 -5.870979 16.17560 
1 1 1    8   17   18 o  173.874   6.1301  208.263   11.684  209.659   13.141  202.996   25.530  175.648   5.5208  172.099   10.947 3.549698 12.26024 
1 1 1    8   17   19 o   55.484   9.5579   25.975   6.6736   30.290   7.4694   8.9044   14.858   66.637   8.2716   44.332   17.234 22.30511 19.11580 
1 1 1    8   17   20 o   50.325   10.032   10.310   6.3986   4.7320   7.0954   34.597   14.806   31.426   11.989   69.224   16.089 -37.79804 20.06433 
1 1 1    8   17   21 o  172.529   6.0102  204.787   11.564  206.025   13.086  200.372   24.706  174.097   5.5466  170.961   10.664 3.136337 12.02046 
1 1 1    8   17   22 o  200.512   5.9956  282.037   13.547  288.447   15.461  260.848   28.109  205.990   5.5386  195.035   10.635 10.95573 11.99111 
1 1 1    8   17   23 o   60.340   9.8823   21.406   6.8009   17.530   7.6192   36.599   15.085   49.530   11.562   71.151   16.030 -21.62133 19.76455 
1 1 1    8   17   24 o   87.529   7.7846   49.954   7.6730   47.952   8.6250   57.551   16.801   83.851   7.5905   91.206   13.593 -7.355515 15.56911 
1 1 1    8   17   25 o   99.261   7.4096   64.445   9.1180   60.151   10.734   75.572   17.280   93.826   8.4423  104.696   12.179 -10.87004 14.81916 
1 1 1    8   17   26 o   68.546   9.9898   40.659   8.5175   51.385   10.182   15.666   15.543   86.685   8.6682   50.407   18.001 36.27766 19.97967 
1 1 1    8   17   27 o  139.202   6.1924  127.988   9.8028  124.302   11.088  141.179   20.976  135.127   6.0553  143.277   10.803 -8.150131 12.38473 
1 1 1    8   17   28 o   87.000   8.7957   57.128   7.9609   60.207   9.0314   46.399   16.858   93.947   7.0940   80.053   16.098 13.89331 17.59136 
1 1 1    8   17   29 o  157.235   6.1244  170.678   10.899  171.850   12.410  166.727   22.787  158.885   5.7640  155.586   10.808 3.298431 12.24873 
1 1 1    8   17   30 o   67.193   9.2654   30.672   7.0394   29.558   7.9949   34.513   14.849   65.655   8.9859   68.731   16.206 -3.075386 18.53089 
1 1 1    8   17   31 o   73.743   9.0669   39.307   7.2256   39.975   8.1844   36.948   15.384   76.437   7.9013   71.049   16.322 5.388321 18.13385 
1 1 1    8   17   32 o   94.770   7.8012   67.880   8.1240   73.035   9.3410   51.876   16.460  103.443   6.6636   86.096   14.108 17.34673 15.60236 
1 1 1    8   17   33 o   35.436   8.7427   6.5252   6.4012   14.031   7.3315 -17.5464   13.130   44.214   11.951   26.659   12.764 17.55503 17.48538 
1 1 1    8   17   34 o  100.938   8.1543   69.880   11.154   69.880   11.154   0.0000   0.0000  100.938   8.1543  ?   ?       ?      ? 
1 1 1    8   17   35 f   49.046   13.420   17.419   9.1786   17.419   9.1786   0.0000   0.0000   49.046   13.420  ?   ?       ?      ? 
1 1 1    8   17   36 o   97.746   7.5724   66.610   9.2236   67.156   11.092   65.386   16.607   98.855   8.2797   96.636   12.681 2.219109 15.14481 
1 1 1    8   17   37 o   56.633   10.017   25.121   7.7279   29.656   9.2683   14.776   13.998   65.374   10.462   47.892   17.085 17.48158 20.03393 
1 1 1    8   17   38 o   75.229   9.1680   42.371   8.2379   45.400   9.9549   35.792   14.673   81.079   9.0603   69.380   15.941 11.69928 18.33603 
1 1 1    8   17   39 f   59.828   9.6416   25.297   6.9252   24.804   7.9864   26.792   13.904   59.782   9.8582   59.874   16.573 -0.9172058E-01 19.28311 
1 1 1    8   17   40 o   75.502   7.7196   33.580   7.0339   27.063   8.0231   55.231   14.623   62.455   9.4796   88.549   12.186 -26.09320 15.43917 
1 1 1    8   17   41 o   96.322   7.3115   66.706   7.9720   68.465   9.1387   61.104   16.306   99.875   6.7522   92.768   12.971 7.107002 14.62293 
1 1 1    8   17   42 o  134.497   6.1472  120.663   9.5391  116.554   10.853  134.622   20.002  130.410   6.1411  138.584   10.651 -8.174179 12.29442 
1 1 1    8   17   43 o   47.993   9.9405   13.566   6.3689   9.0974   7.3838   26.554   12.587   36.743   12.450   59.243   15.500 -22.50006 19.88099 
1 1 1    8   17   44 o   50.913   9.8373   16.224   6.4000   12.084   7.4236   28.206   12.630   40.874   12.355   60.952   15.311 -20.07771 19.67462 
1 1 1    8   17   45 o   87.447   7.0839   50.100   7.4945   46.040   8.6654   62.153   14.930   81.504   7.8456   93.390   11.797 -11.88615 14.16783 
1 1 1    8   17   46 o   97.019   7.5532   66.803   9.4947   67.169   11.854   66.147   15.859   98.027   8.9233   96.012   12.189 2.015160 15.10631 
1 1 1    8   17   47 o  111.374   7.0654   88.039   10.246   89.278   12.899   85.919   16.866  113.100   8.4162  109.649   11.351 3.451019 14.13073 
1 1 1    8   17   48 o   46.129   10.525   15.978   7.7894   20.429   10.155   9.6181   12.140   51.718   14.102   40.540   15.628 11.17781 21.05003 
1 1 1    8   17   49 o   46.563   11.512   15.665   9.1615   10.673   13.487   19.942   12.484   42.291   16.425   50.834   16.134 -8.542522 23.02379 
1 1 1    8   17   50 f   46.926   11.385   15.102   8.9914   23.966   13.684   8.3681   11.927   54.880   16.814   38.972   15.355 15.90814 22.77042 
1 1 1    8   17   51 o   51.218   11.775   20.632   9.3247   20.863   14.026   20.449   12.483   51.459   17.159   50.977   16.129 0.4821472 23.54943 
1 1 1    8   17   52 o   57.576   10.404   24.413   7.9037   19.474   9.7611   33.817   13.469   50.002   13.902   65.150   15.484 -15.14750 20.80898 
1 1 1    8   17   53 o   49.153   13.852   18.891   9.6227   18.891   9.6227   0.0000   0.0000   49.153   13.852  ?   ?       ?      ? 
1 1 1    8   17   54 o   63.150   12.331   30.412   10.174   30.412   10.174   0.0000   0.0000   63.150   12.331  ?   ?       ?      ? 
1 1 1    8   17   55 o   44.768   13.770   15.624   9.1683   15.624   9.1683   0.0000   0.0000   44.768   13.770  ?   ?       ?      ? 
1 1 1    8   17   56 o   59.473   12.163   27.162   9.4723   27.162   9.4723   0.0000   0.0000   59.473   12.163  ?   ?       ?      ? 
1 1 1    8   17   57 o   52.558   13.158   21.800   9.3498   21.800   9.3498   0.0000   0.0000   52.558   13.158  ?   ?       ?      ? 
1 1 1    8   17   58 o   31.173   12.631   4.5280   8.3009   4.5280   8.3009   0.0000   0.0000   31.173   12.631  ?   ?       ?      ? 
1 1 1    8   17   59 o   40.613   13.384   12.742   8.5429   12.742   8.5429   0.0000   0.0000   40.613   13.384  ?   ?       ?      ? 
1 1 1    8   17   60 o   30.010   13.207   0.1958   10.411   0.1958   10.411   0.0000   0.0000   30.010   13.207  ?   ?       ?      ? 
1 1 1    8   17   61 o   44.623   10.818   16.182   7.8850   15.605   10.960   16.802   11.353   43.966   15.161   45.281   15.437 -1.314980 21.63694 
1 1 1    8   17   62 o   50.588   10.991   21.829   8.2584   20.966   11.430   22.771   11.945   49.666   15.392   51.510   15.695 -1.843239 21.98300 
1 1 1    8   17   63 o   60.015   10.721   30.789   8.7267   31.957   12.100   29.524   12.598   61.629   14.695   58.402   15.616 3.227005 21.44299 
1 1 1    8   17   64 o   38.569   10.640   10.844   8.0281   10.657   11.165   11.045   11.551   38.308   14.926   38.830   15.167 -0.5218163 21.28002 
1 1 1    8   18    0 o  169.773   6.7412  185.986   13.692  174.598   15.767  220.917   27.614  160.111   7.2669  179.435   11.356 -19.32417 13.48244 
1 1 1    8   18    1 o  206.844   6.4714  291.852   16.428  291.261   19.469  293.313   30.612  206.840   6.9460  206.848   10.921 -0.7919312E-02 12.94280 
1 1 1    8   18    2 o   50.182   12.472   13.831   11.013   4.8453   15.013   24.299   16.204   41.425   16.910   58.940   18.336 -17.51488 24.94326 
1 1 1    8   18    3 o  200.408   6.3738  274.547   16.519  273.640   27.853  275.039   20.518  199.910   10.281  200.906   7.5362 -0.9962921 12.74767 
1 1 1    8   18    4 o  153.833   5.3304  160.397   11.064  152.581   14.838  170.182   16.603  149.660   7.3164  158.005   7.7540 -8.344604 10.66087 
1 1 1    8   18    5 o  101.745   6.2617   70.794   8.5711   71.498   11.486   69.909   12.875  102.368   8.2801  101.123   9.3954 1.244186 12.52331 
1 1 1    8   18    6 o  134.240   5.5265  123.139   9.9861  125.393   13.440  120.361   14.921  135.667   7.3104  132.813   8.2902 2.853561 11.05304 
1 1 1    8   18    7 o  114.039   6.2178   92.325   9.2205  113.710   12.517   66.953   13.634  129.203   7.1491   98.875   10.175 30.32825 12.43565 
1 1 1    8   18    8 o  149.007   5.3462  151.589   10.729  153.648   14.453  149.061   16.013  150.189   7.1014  147.826   7.9935 2.362701 10.69238 
1 1 1    8   18    9 f  145.660   5.4715  146.395   10.667  161.137   14.516  129.086   15.729  153.815   6.9641  137.505   8.4411 16.31059 10.94310 
1 1 1    8   18   10 o  145.842   7.2400  144.938   14.309  144.938   14.309   0.0000   0.0000  145.842   7.2400  ?   ?       ?      ? 
1 1 1    8   18   11 o  105.731   6.2712   76.430   8.8716   76.574   11.665   76.232   13.663  105.922   8.1269  105.540   9.5532 0.3819656 12.54230 
1 1 1    8   18   12 o  160.483   6.8920  194.567   11.627  207.533   13.132  147.536   25.010  174.710   5.5466  146.257   12.619 28.45297 13.78390 
1 1 1    8   18   13 o  237.935   6.2315  395.649   16.399  402.292   18.555  371.940   35.055  243.223   5.6296  232.647   11.119 10.57643 12.46291 
1 1 1    8   18   14 o  130.098   6.7172  103.627   9.3228   96.850   10.231  136.777   22.629  119.276   6.3299  140.921   11.850 -21.64451 13.43435 
1 1 1    8   18   15 o  104.820   7.9670   81.709   8.6084   85.568   9.6148   66.114   19.327  112.107   6.3288   97.532   14.623 14.57578 15.93397 
1 1 1    8   18   16 o   85.987   7.8670   43.082   7.5250   38.119   8.3147   65.548   17.690   74.695   8.2144   97.279   13.419 -22.58442 15.73395 
1 1 1    8   18   17 o  123.397   7.2208  105.972   10.650  107.663   12.480  101.441   20.431  125.625   7.3310  121.169   12.442 4.456116 14.44159 
1 1 1    8   18   18 o   62.753   11.244   27.908   9.2105   27.908   9.2105   0.0000   0.0000   62.753   11.244  ?   ?       ?      ? 
1 1 1    8   18   19 o   31.600   12.677   3.4250   8.2725   3.4250   8.2725   0.0000   0.0000   31.600   12.677  ?   ?       ?      ? 
1 1 1    8   18   20 o  101.686   7.5002   70.542   8.2862   70.119   9.2658   72.230   18.516  101.404   6.7429  101.968   13.400 -0.5634995 15.00049 
1 1 1    8   18   21 o   69.267   10.099   40.075   7.3898   43.965   8.2312   23.914   16.778   80.217   7.5720   58.318   18.725 21.89904 20.19846 
1 1 1    8   18   22 o   74.333   9.3541   40.490   7.3116   41.444   8.2033   36.805   16.125   77.852   7.7756   70.814   17.016 7.038132 18.70816 
1 1 1    8   18   23 o   70.109   9.7361   46.413   7.4695   55.095   8.4591   15.683   15.915   89.831   6.9488   50.387   18.190 39.44396 19.47217 
1 1 1    8   18   24 o   71.918   9.7128   46.918   7.4732   54.829   8.5079   20.198   15.636   89.594   7.0074   54.242   18.118 35.35188 19.42569 
1 1 1    8   18   25 o   78.198   9.1415   45.892   7.5583   47.870   8.5666   38.940   16.058   83.644   7.5578   72.752   16.648 10.89190 18.28297 
1 1 1    8   18   26 o  114.309   7.0895   84.991   10.097   77.837   11.898  103.404   19.088  106.533   8.2418  122.086   11.538 -15.55271 14.17899 
1 1 1    8   18   27 o   99.668   7.3432   65.457   8.1659   63.126   9.1578   74.503   18.041   96.077   7.0338  103.260   12.893 -7.183044 14.68646 
1 1 1    8   18   28 o   80.904   7.9984   44.910   8.7691   44.910   8.7691   0.0000   0.0000   80.904   7.9984  ?   ?       ?      ? 
1 1 1    8   18   29 o  135.707   6.1207  125.751   11.256  125.751   11.256   0.0000   0.0000  135.707   6.1207  ?   ?       ?      ? 
1 1 1    8   18   30 o  113.389   7.0820   87.932   8.9911   87.093   10.159   90.966   19.315  112.834   6.6439  113.944   12.509 -1.110466 14.16393 
1 1 1    8   18   31 o  152.398   6.4421  166.784   11.042  172.453   12.643  148.550   22.673  158.910   5.8709  145.886   11.469 13.02365 12.88416 
1 1 1    8   18   32 o  175.879   6.2959  223.914   12.520  233.443   14.401  194.420   25.336  184.879   5.7480  166.880   11.203 17.99866 12.59186 
1 1 1    8   18   33 o  101.519   7.8966   78.128   8.6525   83.049   9.8564   61.596   18.067  110.100   6.6062   92.938   14.345 17.16188 15.79323 
1 1 1    8   18   34 o   78.429   8.4271   42.666   7.4456   41.553   8.5258   46.242   15.283   77.627   8.1048   79.231   14.778 -1.604042 16.85416 
1 1 1    8   18   35 f  138.248   6.3352  136.389   9.9642  140.012   11.441  125.008   20.277  143.040   5.9023  133.455   11.212 9.584457 12.67050 
1 1 1    8   18   36 o  131.805   6.0612  111.042   9.3671  102.699   10.651  139.519   19.679  122.353   6.4239  141.256   10.280 -18.90344 12.12232 
1 1 1    8   18   37 o   47.531   9.4860   9.5733   6.3057   2.4974   7.1905   33.135   13.121   28.628   11.696   66.434   14.938 -37.80578 18.97202 
1 1 1    8   18   38 o   46.852   9.8970   15.851   6.2709   15.848   7.3078   15.856   12.213   46.426   11.638   47.277   16.011 -0.8503304 19.79393 
1 1 1    8   18   39 o   70.332   8.7145   38.145   6.8764   40.524   7.9989   31.410   13.461   76.519   7.7140   64.145   15.629 12.37391 17.42896 
1 1 1    8   18   40 o   37.082   9.7378   5.5414   5.9457   2.2522   6.8669   15.394   11.884   27.752   11.395   46.413   15.794 -18.66155 19.47556 
1 1 1    8   18   41 o   53.670   10.391   21.069   7.6273   17.747   9.6666   26.550   12.415   48.588   13.949   58.752   15.405 -10.16349 20.78168 
1 1 1    8   18   42 o   76.789   10.020   42.851   10.215   79.912   15.825   16.383   13.374  105.860   11.031   47.719   16.731 58.14148 20.04073 
1 1 1    8   18   43 f   71.492   10.988   40.166   10.327   34.167   15.335   45.143   13.969   65.559   17.087   77.426   13.821 -11.86629 21.97656 
1 1 1    8   18   44 o   42.864   10.710   11.630   8.6894  -0.3767   13.279   20.621   11.491   34.128   14.970   51.600   15.321 -17.47236 21.42063 
1 1 1    8   18   45 o   48.586   11.507   17.096   9.5861   7.2489   13.768   26.361   13.355   39.640   16.189   57.532   16.356 -17.89206 23.01314 
1 1 1    8   18   46 o   43.431   10.838   13.036   7.7238   10.958   9.6954   16.646   12.778   39.789   14.216   47.072   16.363 -7.283688 21.67622 
1 1 1    8   18   47 o   50.907   10.664   19.310   7.6846   15.706   9.6177   25.672   12.779   45.277   14.133   56.537   15.974 -11.26003 21.32870 
1 1 1    8   18   48 o   47.185   13.717   17.286   9.2952   17.286   9.2952   0.0000   0.0000   47.185   13.717  ?   ?       ?      ? 
1 1 1    8   18   49 o   23.615   11.022  -6.7360   8.6868  -6.7360   8.6868   0.0000   0.0000   23.615   11.022  ?   ?       ?      ? 
1 1 1    8   18   50 f   41.138   13.858   12.687   9.1481   12.687   9.1481   0.0000   0.0000   41.138   13.858  ?   ?       ?      ? 
1 1 1    8   18   51 o   38.166   13.639   10.348   8.9248   10.348   8.9248   0.0000   0.0000   38.166   13.639  ?   ?       ?      ? 
1 1 1    8   18   52 o   56.680   12.383   24.859   9.2455   24.859   9.2455   0.0000   0.0000   56.680   12.383  ?   ?       ?      ? 
1 1 1    8   18   53 o   51.029   12.999   20.529   9.0139   20.529   9.0139   0.0000   0.0000   51.029   12.999  ?   ?       ?      ? 
1 1 1    8   18   54 o   39.310   13.194   11.706   8.2924   11.706   8.2924   0.0000   0.0000   39.310   13.194  ?   ?       ?      ? 
1 1 1    8   18   55 o   35.609   12.994   8.8295   8.1532   8.8295   8.1532   0.0000   0.0000   35.609   12.994  ?   ?       ?      ? 
1 1 1    8   18   56 o   44.851   13.380   16.087   8.7483   16.087   8.7483   0.0000   0.0000   44.851   13.380  ?   ?       ?      ? 
1 1 1    8   18   57 o   66.045   10.509   32.358   9.4055   32.358   9.4055   0.0000   0.0000   66.045   10.509  ?   ?       ?      ? 
1 1 1    8   18   58 o   88.103   8.7773   56.252   10.479   56.252   10.479   0.0000   0.0000   88.103   8.7773  ?   ?       ?      ? 
1 1 1    8   18   59 o   27.637   11.853   1.6122   7.9505   1.6122   7.9505   0.0000   0.0000   27.637   11.853  ?   ?       ?      ? 
1 1 1    8   18   60 o   46.404   13.292   17.801   8.7863   17.801   8.7863   0.0000   0.0000   46.404   13.292  ?   ?       ?      ? 
1 1 1    8   19    0 f   96.515   6.6478   63.087   8.6277   57.706   11.371   70.388   13.245   91.756   9.1449  101.273   9.6511 -9.516930 13.29561 
1 1 1    8   19    1 o   66.575   8.9744   30.980   7.7217   27.021   10.055   36.671   12.055   61.426   12.505   71.725   12.876 -10.29896 17.94888 
1 1 1    8   19    2 o  217.997   5.1781  325.485   15.243  342.487   21.076  306.836   22.073  224.069   6.9410  211.926   7.6860 12.14330 10.35620 
1 1 1    8   19    3 o  152.990   5.4852  160.703   11.286  167.151   15.247  152.888   16.786  156.492   7.1896  149.488   8.2860 7.003799 10.97033 
1 1 1    8   19    4 o   61.897   9.2739   29.382   7.6614   39.210   10.072   15.889   11.802   75.549   9.8383   48.245   15.723 27.30341 18.54778 
1 1 1    8   19    5 o   95.187   6.7453   61.286   8.6282   55.259   11.343   69.562   13.292   89.742   9.3270  100.632   9.7471 -10.88901 13.49065 
1 1 1    8   19    6 f  249.590   5.2352  426.889   17.648  455.121   24.581  396.858   25.353  258.234   7.0243  240.947   7.7646 17.28777 10.47045 
1 1 1    8   19    7 o  176.848   5.3278  213.871   12.727  215.789   17.361  211.642   18.712  177.769   7.2067  175.927   7.8488 1.842575 10.65555 
1 1 1    8   19    8 o  121.882   6.7521  100.168   11.035  115.548   17.196   89.399   14.388  129.647   9.7876  114.116   9.3040 15.53036 13.50416 
1 1 1    8   19    9 o  153.919   7.6875  163.342   15.694  162.857   20.219  164.076   24.892  153.916   9.6940  153.922   11.934 -0.5798340E-02 15.37500 
1 1 1    8   19   10 o  147.038   7.8131  152.744   15.143  169.121   19.984  130.659   23.207  156.894   9.3993  137.183   12.483 19.71086 15.62623 
1 1 1    8   19   11 o   97.240   8.3463   62.798   9.8960   59.513   11.554   71.849   19.175   93.090   9.1587  101.390   13.956 -8.300629 16.69253 
1 1 1    8   19   12 o  140.711   6.9790  137.719   11.919  139.554   14.086  133.091   22.363  142.889   7.2744  138.533   11.913 4.356750 13.95798 
1 1 1    8   19   13 o  111.618   7.8482   89.078   10.344   92.446   12.122   80.059   19.838  116.224   7.6967  107.013   13.680 9.210312 15.69641 
1 1 1    8   19   14 o   59.754   10.765   26.711   8.1907   28.148   9.6225   22.931   15.606   62.750   11.748   56.758   18.042 5.992424 21.52985 
1 1 1    8   19   15 o   43.052   11.251   9.4650   7.7930   7.5928   9.0250   14.953   15.452   36.818   13.632   49.287   17.903 -12.46878 22.50252 
1 1 1    8   19   16 o  135.221   7.1775  132.184   11.725  140.698   14.027  112.440   21.360  143.414   7.2175  127.028   12.409 16.38531 14.35506 
1 1 1    8   19   17 o   72.206   10.287   35.648   8.9022   33.478   10.384   41.666   17.292   69.493   11.027   74.919   17.370 -5.426506 20.57433 
1 1 1    8   19   18 o   84.488   8.8564   47.777   9.2397   44.993   10.871   55.022   17.537   80.708   9.9395   88.268   14.661 -7.560097 17.71288 
1 1 1    8   19   19 o   77.238   9.8365   45.100   8.9874   48.546   10.756   37.128   16.359   83.884   9.4621   70.592   17.248 13.29231 19.67291 
1 1 1    8   19   20 o  116.543   7.3359   89.354   10.537   83.210   12.352  105.778   20.194  110.026   8.2842  123.060   12.109 -13.03423 14.67189 
1 1 1    8   19   21 o   81.294   8.1118   45.422   8.9363   45.422   8.9363   0.0000   0.0000   81.294   8.1118  ?   ?       ?      ? 
1 1 1    8   19   22 o   50.734   11.769   18.672   7.9347   18.672   7.9347   0.0000   0.0000   50.734   11.769  ?   ?       ?      ? 
1 1 1    8   19   23 o   94.205   9.5674   66.239   10.140   69.308   11.846   57.827   19.614  100.242   8.7204   88.169   17.032 12.07278 19.13479 
1 1 1    8   19   24 o  108.920   8.2508   81.731   12.178   81.731   12.178   0.0000   0.0000  108.920   8.2508  ?   ?       ?      ? 
1 1 1    8   19   25 o  122.598   7.5334  112.231   9.5875  117.087   10.726   92.933   21.384  130.842   6.0493  114.353   13.799 16.48940 15.06682 
1 1 1    8   19   26 o   92.352   7.6595   60.781   7.8955   61.761   8.9755   57.427   16.602   94.855   6.9825   89.849   13.635 5.006027 15.31905 
1 1 1    8   19   27 o   81.880   8.8732   52.145   7.6157   55.481   8.6869   41.065   15.831   89.850   7.1345   73.909   16.249 15.94073 17.74645 
1 1 1    8   19   28 o   97.402   7.4829   63.918   9.0719   60.347   10.742   72.798   16.939   93.390   8.4882  101.413   12.326 -8.023178 14.96571 
1 1 1    8   19   29 o  111.993   6.9749   81.797   9.7945   73.388   11.571  103.048   18.395  102.987   8.2911  120.999   11.219 -18.01190 13.94983 
1 1 1    8   19   30 o   75.329   8.9837   38.637   8.2660   35.071   9.7927   47.476   15.416   70.762   10.212   79.897   14.783 -9.135170 17.96745 
1 1 1    8   19   31 o   61.879   9.9629   24.307   7.7616   16.664   9.1840   43.411   14.519   47.460   13.588   76.298   14.574 -28.83839 19.92577 
1 1 1    8   19   32 o   86.286   8.0678   52.197   8.7313   51.227   10.495   54.378   15.735   85.712   9.0358   86.860   13.368 -1.148140 16.13552 
1 1 1    8   19   33 o   49.215   10.364   14.981   7.2457   9.0638   8.6940   28.437   13.111   37.544   13.457   60.887   15.766 -23.34240 20.72811 
1 1 1    8   19   34 o   67.933   9.1495   29.021   7.8260   19.422   9.3189   51.990   14.415   50.853   13.352   85.012   12.513 -34.15893 18.29908 
1 1 1    8   19   35 o   45.513   11.573   14.219   9.1119   13.088   12.964   15.323   12.809   44.482   16.362   46.544   16.371 -2.062511 23.14633 
1 1 1    8   19   36 o   58.508   11.374   26.381   9.4285   33.158   13.769   20.400   12.937   65.348   15.737   51.668   16.427 13.67966 22.74883 
1 1 1    8   19   37 o   40.145   11.105   8.6969   8.8440   5.6462   12.424   11.831   12.592   37.450   15.346   42.839   16.055 -5.388866 22.20950 
1 1 1    8   19   38 o   31.187   9.2419   0.8672   7.1162   7.2976   8.9985  -9.8687   11.627   35.482   13.510   26.891   12.615 8.591394 18.48378 
1 1 1    8   19   39 o   81.794   8.1627   45.861   8.7361   39.135   10.775   58.763   14.923   73.846   10.768   89.743   12.271 -15.89714 16.32550 
1 1 1    8   19   40 o   51.948   10.566   19.125   7.7578   13.161   9.6466   30.042   13.052   42.339   14.231   61.557   15.621 -19.21836 21.13103 
1 1 1    8   19   41 o   90.652   7.8380   56.101   9.2058   48.552   11.208   71.758   16.140   82.346   10.043   98.957   12.036 -16.61063 15.67596 
1 1 1    8   19   42 f   43.278   10.542   11.356   7.4715   5.6025   9.2040   22.474   12.794   33.649   13.415   52.907   16.266 -19.25806 21.08441 
1 1 1    8   19   43 o   56.356   12.893   24.487   9.6326   24.487   9.6326   0.0000   0.0000   56.356   12.893  ?   ?       ?      ? 
1 1 1    8   19   44 f   42.753   13.949   13.918   9.2878   13.918   9.2878   0.0000   0.0000   42.753   13.949  ?   ?       ?      ? 
1 1 1    8   19   45 o   47.612   13.404   17.751   9.0150   17.751   9.0150   0.0000   0.0000   47.612   13.404  ?   ?       ?      ? 
1 1 1    8   19   46 o   67.845   10.399   33.502   9.5610   33.502   9.5610   0.0000   0.0000   67.845   10.399  ?   ?       ?      ? 
1 1 1    8   19   47 o   44.181   13.960   15.289   9.3539   15.289   9.3539   0.0000   0.0000   44.181   13.960  ?   ?       ?      ? 
1 1 1    8   19   48 o   40.717   13.675   12.625   8.9081   12.625   8.9081   0.0000   0.0000   40.717   13.675  ?   ?       ?      ? 
1 1 1    8   19   49 f   74.903   9.7939   40.778   9.9411   40.778   9.9411   0.0000   0.0000   74.903   9.7939  ?   ?       ?      ? 
1 1 1    8   19   50 o   24.702   11.155  -2.5863   7.9427  -2.5863   7.9427   0.0000   0.0000   24.702   11.155  ?   ?       ?      ? 
1 1 1    8   19   51 o   39.602   13.464   11.996   8.6366   11.996   8.6366   0.0000   0.0000   39.602   13.464  ?   ?       ?      ? 
1 1 1    8   19   52 o   30.012   12.381   3.7132   8.1539   3.7132   8.1539   0.0000   0.0000   30.012   12.381  ?   ?       ?      ? 
1 1 1    8   19   53 o   50.432   12.794   20.394   8.7573   20.394   8.7573   0.0000   0.0000   50.432   12.794  ?   ?       ?      ? 
1 1 1    8   19   54 o   37.615   13.140   10.786   8.2450   10.786   8.2450   0.0000   0.0000   37.615   13.140  ?   ?       ?      ? 
1 1 1    8   19   55 o   55.693   12.637   24.984   9.3186   24.984   9.3186   0.0000   0.0000   55.693   12.637  ?   ?       ?      ? 
1 1 1    8   20    0 o  110.758   6.2882   84.856   9.3861   88.647   12.811   80.462   13.791  113.552   8.3255  107.963   9.4262 5.589180 12.57641 
1 1 1    8   20    1 o  124.621   5.9804  107.499   10.020  113.717   13.612  100.146   14.804  128.717   7.8040  120.524   9.0640 8.193680 11.96071 
1 1 1    8   20    2 o   80.850   7.7620   46.183   8.3363   50.613   11.124   40.508   12.590   85.587   9.5913   76.112   12.207 9.474525 15.52392 
1 1 1    8   20    3 o  188.335   5.3718  245.377   13.581  277.049   18.927  211.758   19.500  201.161   6.9431  175.510   8.1987 25.65134 10.74364 
1 1 1    8   20    4 f   31.805   9.5757   0.6844   7.1887   0.7855   9.5476   0.5519   10.923   30.902   13.114   32.708   13.957 -1.805817 19.15146 
1 1 1    8   20    5 o   39.679   10.036   8.6119   7.0307   3.7291   9.3688   14.907   10.637   33.181   13.427   46.177   14.919 -12.99641 20.07133 
1 1 1    8   20    6 o   32.827   9.3039   0.6375   6.7175  -6.2823   8.7857   10.376   10.423   24.697   11.372   40.956   14.729 -16.25928 18.60776 
1 1 1    8   20    7 o  143.062   5.6115  143.060   10.684  165.726   14.689  117.598   15.568  155.532   6.9691  130.591   8.7970 24.94058 11.22301 
1 1 1    8   20    8 o   68.871   8.4513   32.860   7.6131   26.014   9.9879   42.351   11.761   59.798   12.717   77.944   11.135 -18.14522 16.90270 
1 1 1    8   20    9 f   60.491   9.4431   27.206   7.4831   29.895   9.8788   23.586   11.462   64.465   11.741   56.518   14.793 7.946808 18.88624 
1 1 1    8   20   10 o   73.492   8.6918   42.272   7.8176   57.697   10.460   22.753   11.766   91.494   8.4365   55.491   15.199 36.00333 17.38368 
1 1 1    8   20   11 o   80.714   9.7896   52.578   7.7907   56.005   8.6800   38.376   17.669   90.356   7.0890   71.071   18.251 19.28437 19.57920 
1 1 1    8   20   12 o   79.353   7.6398   43.295   8.2154   43.295   8.2154   0.0000   0.0000   79.353   7.6398  ?   ?       ?      ? 
1 1 1    8   20   13 o   38.032   11.917   10.126   6.8302   10.126   6.8302   0.0000   0.0000   38.032   11.917  ?   ?       ?      ? 
1 1 1    8   20   14 o   46.680   11.172   15.839   6.9729   15.839   6.9729   0.0000   0.0000   46.680   11.172  ?   ?       ?      ? 
1 1 1    8   20   15 o   64.307   10.087   33.388   6.9302   35.459   7.6388   23.754   16.476   71.738   7.8577   56.876   18.580 14.86204 20.17323 
1 1 1    8   20   16 o   41.607   9.7599   12.820   6.3053   15.779   6.9399  -1.1729   15.093   46.554   11.148   36.659   16.023 9.895023 19.51973 
1 1 1    8   20   17 o   64.148   9.8012   38.705   7.0677   44.447   7.8329   13.549   16.395   80.392   7.1900   47.904   18.236 32.48752 19.60245 
1 1 1    8   20   18 o   76.868   8.9805   43.779   7.1171   44.574   7.9604   40.612   15.889   80.468   7.3000   73.268   16.411 7.200508 17.96102 
1 1 1    8   20   19 o   47.020   10.516   11.278   6.2563   7.8519   6.9148   26.741   14.690   34.729   12.039   59.312   17.245 -24.58298 21.03131 
1 1 1    8   20   20 o   81.401   9.5852   56.532   7.6290   61.972   8.5637   35.616   16.793   94.965   6.6545   67.837   17.978 27.12802 19.17040 
1 1 1    8   20   21 o   98.912   6.9269   60.064   7.7869   53.959   8.6963   84.760   17.491   88.472   7.2535  109.351   11.803 -20.87926 13.85376 
1 1 1    8   20   22 o  104.291   7.4808   81.096   8.3735   84.550   9.4657   68.665   17.956  110.954   6.2954   97.628   13.573 13.32654 14.96156 
1 1 1    8   20   23 o   44.407   10.508   12.623   6.2705   11.758   6.9708   16.292   14.353   40.255   11.929   48.559   17.303 -8.304153 21.01645 
1 1 1    8   20   24 o   46.908   10.392   15.634   6.4684   15.649   7.2569   15.576   14.269   46.052   11.627   47.764   17.227 -1.712399 20.78309 
1 1 1    8   20   25 o   71.423   9.1333   34.802   7.0346   33.000   7.8556   42.096   15.805   68.856   8.4189   73.990   16.211 -5.133476 18.26657 
1 1 1    8   20   26 o   26.325   8.5487  -3.7738   5.6762  -3.6667   6.3921  -4.1731   12.344   21.616   9.8575   31.034   13.970 -9.417404 17.09736 
1 1 1    8   20   27 o   47.395   9.6224   18.331   6.3016   20.967   7.0980   8.5244   13.692   53.711   10.123   41.079   16.367 12.63224 19.24487 
1 1 1    8   20   28 o   56.435   10.040   22.170   6.5286   20.679   7.3045   28.090   14.556   53.162   10.512   59.709   17.110 -6.547382 20.08093 
1 1 1    8   20   29 o   84.465   8.3357   47.227   8.5571   42.465   9.8976   61.322   17.028   77.627   9.4088   91.303   13.763 -13.67525 16.67138 
1 1 1    8   20   30 o   29.834   12.393   2.4644   8.2506   2.4644   8.2506   0.0000   0.0000   29.834   12.393  ?   ?       ?      ? 
1 1 1    8   20   31 o   44.805   9.7464   7.6640   7.0063  -1.4916   8.2551   31.248   13.249   26.504   11.708   63.105   15.585 -36.60146 19.49277 
1 1 1    8   20   32 o   37.954   10.244   7.9882   6.8980   6.3074   8.3219   11.678   12.331   33.663   12.950   42.245   15.876 -8.582729 20.48801 
1 1 1    8   20   33 o   54.527   10.545   21.191   7.7023   16.295   9.3584   31.471   13.560   46.175   13.853   62.880   15.903 -16.70514 21.09081 
1 1 1    8   20   34 o   41.211   10.535   11.734   7.3295   11.863   9.0435   11.487   12.512   40.466   13.778   41.956   15.941 -1.489670 21.06975 
1 1 1    8   20   35 o   49.857   10.676   19.929   7.7243   21.676   9.3672   16.217   13.654   53.010   13.112   46.705   16.851 6.305012 21.35128 
1 1 1    8   20   36 o   69.390   9.9157   39.077   8.5136   42.940   10.388   31.177   14.857   77.353   9.9103   61.426   17.178 15.92709 19.83134 
1 1 1    8   20   37 o   57.789   12.527   25.599   9.5271   25.599   9.5271   0.0000   0.0000   57.789   12.527  ?   ?       ?      ? 
1 1 1    8   20   38 o   53.212   12.637   21.878   8.9771   21.878   8.9771   0.0000   0.0000   53.212   12.637  ?   ?       ?      ? 
1 1 1    8   20   39 f   32.940   12.882   5.9999   8.3404   5.9999   8.3404   0.0000   0.0000   32.940   12.882  ?   ?       ?      ? 
1 1 1    8   20   40 o   36.092   13.330   8.7181   8.6185   8.7181   8.6185   0.0000   0.0000   36.092   13.330  ?   ?       ?      ? 
1 1 1    8   20   41 o   46.719   13.381   17.192   8.9048   17.192   8.9048   0.0000   0.0000   46.719   13.381  ?   ?       ?      ? 
1 1 1    8   20   42 o   59.162   12.224   27.011   9.4763   27.011   9.4763   0.0000   0.0000   59.162   12.224  ?   ?       ?      ? 
1 1 1    8   20   43 o   42.432   13.599   14.041   8.8519   14.041   8.8519   0.0000   0.0000   42.432   13.599  ?   ?       ?      ? 
1 1 1    8   20   44 o   44.477   13.436   15.670   8.7818   15.670   8.7818   0.0000   0.0000   44.477   13.436  ?   ?       ?      ? 
1 1 1    8   20   45 o   31.982   12.717   5.4886   8.2506   5.4886   8.2506   0.0000   0.0000   31.982   12.717  ?   ?       ?      ? 
1 1 1    8   20   46 o   36.424   13.113   9.5441   8.2629   9.5441   8.2629   0.0000   0.0000   36.424   13.113  ?   ?       ?      ? 
1 1 1    8   20   48 o   34.053   12.890   7.7240   8.1619   7.7240   8.1619   0.0000   0.0000   34.053   12.890  ?   ?       ?      ? 
1 1 1    8   20   49 o   24.133   10.880  -2.1023   7.5219  -2.1023   7.5219   0.0000   0.0000   24.133   10.880  ?   ?       ?      ? 
1 1 1    8   20   50 o   55.867   11.847   24.675   8.6911   24.675   8.6911   0.0000   0.0000   55.867   11.847  ?   ?       ?      ? 
1 1 1    8   21    0 o   49.803   10.298   19.892   7.7356   24.808   9.1096   7.1802   14.648   58.207   11.949   41.398   16.777 16.80905 20.59691 
1 1 1    8   21    1 o  105.621   7.6191   76.247   9.8588   73.341   11.589   83.856   18.754  102.873   8.3133  108.370   12.771 -5.496803 15.23815 
1 1 1    8   21    2 o  149.693   6.8819  159.886   12.721  165.136   15.307  148.164   22.872  154.750   7.2991  144.636   11.669 10.11389 13.76389 
1 1 1    8   21    3 o   55.726   12.084   22.120   10.391   12.997   13.923   33.593   15.613   45.477   16.913   65.976   17.263 -20.49881 24.16771 
1 1 1    8   21    4 o   53.446   12.091   21.381   9.9174   23.036   13.312   19.317   14.868   55.182   16.514   51.710   17.665 3.472073 24.18234 
1 1 1    8   21    5 o   94.683   8.0867   62.141   10.210   70.953   16.286   56.434   13.106   99.880   12.032   89.486   10.808 10.39367 16.17341 
1 1 1    8   21    6 o  116.790   7.3568   96.847   11.289   91.626   18.034  100.211   14.476  113.608   11.714  119.971   8.9039 -6.362122 14.71350 
1 1 1    8   21    7 o   66.278   8.5434   30.616   7.4008   23.907   9.5530   40.687   11.704   56.783   12.729   75.773   11.398 -18.98972 17.08676 
1 1 1    8   21    8 o   44.729   9.8843   14.662   6.5988   15.632   8.4247   13.122   10.615   45.972   12.963   43.486   14.925 2.486187 19.76869 
1 1 1    8   21    9 o   93.612   6.4838   61.880   8.0628   65.293   10.606   57.206   12.411   97.020   8.0666   90.204   10.153 6.815697 12.96756 
1 1 1    8   21   10 o   44.506   11.022   13.109   7.3815   12.836   8.4497   13.989   15.167   42.144   13.262   46.868   17.609 -4.723991 22.04475 
1 1 1    8   21   11 o   33.493   9.7244   4.6361   5.9547   5.7985   6.5344  -1.0569   14.461   31.449   11.609   35.537   15.604 -4.087982 19.44884 
1 1 1    8   21   12 o   39.440   10.455   8.1683   6.0767   7.2165   6.6782   12.750   14.652   33.472   11.816   45.408   17.251 -11.93600 20.90938 
1 1 1    8   21   13 o   46.589   9.7573   17.633   6.3108   20.169   6.9821   6.3117   14.751   52.699   10.145   40.479   16.670 12.21918 19.51454 
1 1 1    8   21   14 o   46.902   10.624   13.676   6.2579   11.962   6.9013   21.606   14.843   40.419   11.839   53.385   17.645 -12.96545 21.24853 
1 1 1    8   21   15 o  114.343   7.4584   99.944   9.0216  105.378   10.195   80.334   19.368  123.764   6.0787  104.923   13.622 18.84143 14.91680 
1 1 1    8   21   16 o   37.650   8.9079   10.148   6.2708   15.724   6.9627 -13.7999   14.429   46.077   11.249   29.224   13.815 16.85344 17.81573 
1 1 1    8   21   17 o   78.423   9.3858   48.786   7.3576   50.909   8.2056   40.076   16.619   85.751   7.0613   71.096   17.393 14.65501 18.77169 
1 1 1    8   21   18 o   52.902   10.153   21.826   6.5647   22.674   7.3104   18.296   14.920   55.857   10.026   49.947   17.658 5.910290 20.30592 
1 1 1    8   21   19 o   87.097   9.5160   67.261   8.0748   75.516   9.1794   39.020   16.978  104.561   6.4783   69.633   17.895 34.92808 19.03196 
1 1 1    8   21   20 o   81.502   9.2467   52.299   7.6196   54.418   8.5427   44.055   16.852   88.556   7.1186   74.447   17.068 14.10841 18.49332 
1 1 1    8   21   21 o   37.899   10.222   6.6219   6.0246   4.7479   6.7062   14.461   13.716   30.111   11.613   45.687   16.826 -15.57565 20.44469 
1 1 1    8   21   22 o   69.436   9.8183   33.601   8.0708   29.731   9.3661   44.762   15.906   63.437   11.310   75.435   16.053 -11.99821 19.63665 
1 1 1    8   21   23 o   44.998   10.749   14.560   7.1912   14.257   8.3745   15.411   14.032   43.508   13.116   46.488   17.034 -2.979313 21.49888 
1 1 1    8   21   24 o   56.818   10.575   26.307   7.8101   28.085   9.1096   21.375   15.173   61.486   11.351   52.150   17.846 9.335995 21.14983 
1 1 1    8   21   25 o   77.698   9.3927   46.303   8.5824   47.546   10.193   43.275   15.909   81.870   9.1874   73.526   16.385 8.344055 18.78531 
1 1 1    8   21   26 o   37.171   10.270   8.0819   7.2396   9.9704   8.5180   3.1683   13.740   37.857   13.347   36.486   15.614 1.370583 20.54068 
1 1 1    8   21   27 o   43.243   9.1744   14.643   7.3479   23.890   8.7495  -7.4856   13.535   56.212   11.859   30.275   14.002 25.93682 18.34885 
1 1 1    8   21   28 o   25.579   8.5008  -7.4299   6.6853  -7.8730   7.9119  -6.3236   12.500   21.685   10.245   29.473   13.568 -7.788544 17.00162 
1 1 1    8   21   29 o   49.047   10.973   18.574   7.6486   18.199   8.9893   19.556   14.558   48.368   13.300   49.726   17.455 -1.357883 21.94512 
1 1 1    8   21   30 o   46.048   9.5844   17.521   7.5451   25.783   9.1863   0.3901   13.227   58.175   12.049   33.921   14.909 24.25358 19.16887 
1 1 1    8   21   31 o   19.438   9.4571 -12.7143   7.9496 -12.7143   7.9496   0.0000   0.0000   19.438   9.4571  ?   ?       ?      ? 
1 1 1    8   21   32 o   59.470   12.205   27.102   9.5066   27.102   9.5066   0.0000   0.0000   59.470   12.205  ?   ?       ?      ? 
1 1 1    8   21   33 o   42.834   14.019   14.147   9.3777   14.147   9.3777   0.0000   0.0000   42.834   14.019  ?   ?       ?      ? 
1 1 1    8   21   34 o   47.482   13.717   17.864   9.3211   17.864   9.3211   0.0000   0.0000   47.482   13.717  ?   ?       ?      ? 
1 1 1    8   21   35 o   36.410   13.443   9.0301   8.7632   9.0301   8.7632   0.0000   0.0000   36.410   13.443  ?   ?       ?      ? 
1 1 1    8   21   36 o   38.655   13.562   11.002   8.7880   11.002   8.7880   0.0000   0.0000   38.655   13.562  ?   ?       ?      ? 
1 1 1    8   21   37 o   72.742   10.169   38.688   10.024   38.688   10.024   0.0000   0.0000   72.742   10.169  ?   ?       ?      ? 
1 1 1    8   21   38 o   62.079   11.788   29.626   9.5543   29.626   9.5543   0.0000   0.0000   62.079   11.788  ?   ?       ?      ? 
1 1 1    8   21   39 o   41.287   13.556   13.307   8.7665   13.307   8.7665   0.0000   0.0000   41.287   13.556  ?   ?       ?      ? 
1 1 1    8   21   40 o   36.941   13.206   9.9515   8.3671   9.9515   8.3671   0.0000   0.0000   36.941   13.206  ?   ?       ?      ? 
1 1 1    8   21   41 o   43.481   13.276   15.133   8.5400   15.133   8.5400   0.0000   0.0000   43.481   13.276  ?   ?       ?      ? 
1 1 1    8   21   42 o   48.369   12.702   18.766   8.4321   18.766   8.4321   0.0000   0.0000   48.369   12.702  ?   ?       ?      ? 
1 1 1    8   21   43 o   28.869   11.939   3.3884   7.6099   3.3884   7.6099   0.0000   0.0000   28.869   11.939  ?   ?       ?      ? 
1 1 1    8   21   44 o   47.236   12.694   18.090   8.2994   18.090   8.2994   0.0000   0.0000   47.236   12.694  ?   ?       ?      ? 
1 1 1    8   21   45 o   29.156   12.078   3.6322   7.8057   3.6322   7.8057   0.0000   0.0000   29.156   12.078  ?   ?       ?      ? 
1 1 1    8   22    0 o   53.690   11.226   21.172   7.6531   20.261   8.6178   24.571   16.647   51.785   12.437   55.594   18.694 -3.808926 22.45286 
1 1 1    8   22    1 f   30.580   9.1010   1.8855   6.1678   0.7033   7.6727   4.0448   10.369   27.335   11.682   33.824   13.959 -6.488548 18.20190 
1 1 1    8   22    2 o   39.539   9.2638   11.155   6.3549   16.472   8.0290   2.2381   10.398   46.684   12.459   32.395   13.713 14.28914 18.52757 
1 1 1    8   22    3 o   43.338   9.7044   11.952   6.5703   5.9351   8.2874   22.133   10.780   33.253   12.886   53.423   14.514 -20.17055 19.40881 
1 1 1    8   22    4 f   91.555   6.7421   60.167   8.1553   63.378   10.621   55.555   12.730   95.082   8.2432   88.029   10.671 7.052544 13.48420 
1 1 1    8   22    5 o   20.910   7.0807 -11.2331   5.8769  -5.5350   7.3708 -21.1772   9.7371   22.139   10.272   19.681   9.7485 2.458109 14.16142 
1 1 1    8   22    6 o   44.880   10.006   14.115   6.7061   10.377   8.4525   20.464   11.017   38.487   13.312   51.273   14.941 -12.78609 20.01156 
1 1 1    8   22    7 f   47.218   9.9780   17.314   6.8581   18.894   8.7043   14.729   11.137   49.772   12.825   44.664   15.289 5.107075 19.95596 
1 1 1    8   22    8 o   48.570   9.8543   17.903   6.6761   17.056   8.4477   19.312   10.895   47.297   12.847   49.843   14.946 -2.546188 19.70869 
1 1 1    8   22    9 o   72.674   7.8176   39.186   7.2535   41.590   9.3778   35.607   11.444   76.673   9.0256   68.675   12.767 7.998337 15.63527 
1 1 1    8   22   10 f   33.990   9.8311   5.2616   5.9280   5.8159   6.4990   2.5156   14.464   31.088   11.557   36.892   15.907 -5.803959 19.66215 
1 1 1    8   22   11 o   30.271   9.2400   2.0829   5.8007   3.2519   6.3981  -3.3146   13.748   27.819   11.153   32.723   14.735 -4.903772 18.48004 
1 1 1    8   22   12 o   56.640   9.8077   27.576   6.6302   30.035   7.3526   16.872   15.338   65.314   8.3072   47.967   17.769 17.34710 19.61539 
1 1 1    8   22   13 o   66.993   9.6022   26.000   7.7048   17.468   8.7239   56.255   16.427   47.640   13.104   86.345   14.039 -38.70506 19.20437 
1 1 1    8   22   14 f   34.538   9.7836   5.8970   6.9989   9.4276   8.1181  -4.3254   13.813   36.910   13.028   32.166   14.600 4.743443 19.56720 
1 1 1    8   22   15 o   69.200   9.9211   33.857   8.1196   30.574   9.3649   43.796   16.295   65.019   10.629   73.381   16.755 -8.361542 19.84211 
1 1 1    8   22   16 o   56.072   12.112   25.910   10.054   27.072   13.523   24.475   15.034   57.584   16.489   54.560   17.745 3.024376 24.22341 
1 1 1    8   22   17 o   39.564   11.122   7.3660   9.1043   1.2667   12.057   15.459   13.888   33.275   14.435   45.854   16.924 -12.57884 22.24380 
1 1 1    8   22   18 o   39.918   10.907   8.5680   9.0961   16.894   12.208  -1.8220   13.638   46.694   16.007   33.141   14.819 13.55238 21.81342 
1 1 1    8   22   19 o   43.550   11.554   12.920   9.5885   18.690   13.045   6.1411   14.141   48.587   16.548   38.514   16.130 10.07290 23.10842 
1 1 1    8   22   20 o   41.800   11.245   9.5380   9.1717   1.7015   12.066   20.264   14.116   33.453   14.476   50.148   17.211 -16.69465 22.48990 
1 1 1    8   22   21 o   40.166   10.709   8.3826   9.1396   19.495   12.142  -6.1463   13.883   49.252   15.941   31.079   14.305 18.17263 21.41847 
1 1 1    8   22   22 o   44.787   11.620   14.904   9.4051   18.488   12.710   10.566   13.983   48.126   16.334   41.449   16.532 6.677063 23.23996 
1 1 1    8   22   23 o   50.593   11.494   20.905   9.4457   27.975   12.769   12.360   14.038   58.346   15.773   42.841   16.724 15.50489 22.98836 
1 1 1    8   22   24 o   64.053   15.824   33.736   13.655   33.736   13.655   0.0000   0.0000   64.053   15.824  ?   ?       ?      ? 
1 1 1    8   22   25 o   34.078   14.518   3.3705   11.783   3.3705   11.783   0.0000   0.0000   34.078   14.518  ?   ?       ?      ? 
1 1 1    8   22   26 o   41.493   15.659   12.227   12.022   12.227   12.022   0.0000   0.0000   41.493   15.659  ?   ?       ?      ? 
1 1 1    8   22   27 o   27.454   12.692  -5.9723   11.105  -5.9723   11.105   0.0000   0.0000   27.454   12.692  ?   ?       ?      ? 
1 1 1    8   22   28 o   40.277   15.535   11.061   12.000   11.061   12.000   0.0000   0.0000   40.277   15.535  ?   ?       ?      ? 
1 1 1    8   22   29 o   36.763   15.111   6.8789   12.092   6.8789   12.092   0.0000   0.0000   36.763   15.111  ?   ?       ?      ? 
1 1 1    8   22   30 o   59.601   16.330   30.183   13.580   30.183   13.580   0.0000   0.0000   59.601   16.330  ?   ?       ?      ? 
1 1 1    8   22   31 o   39.488   15.492   10.369   12.092   10.369   12.092   0.0000   0.0000   39.488   15.492  ?   ?       ?      ? 
1 1 1    8   22   32 o   53.830   16.500   24.903   13.177   24.903   13.177   0.0000   0.0000   53.830   16.500  ?   ?       ?      ? 
1 1 1    8   22   33 o   69.084   15.844   40.235   14.517   40.235   14.517   0.0000   0.0000   69.084   15.844  ?   ?       ?      ? 
1 1 1    8   22   34 o   29.840   13.516  -2.4610   11.765  -2.4610   11.765   0.0000   0.0000   29.840   13.516  ?   ?       ?      ? 
1 1 1    8   22   35 o   44.248   16.060   15.945   12.429   15.945   12.429   0.0000   0.0000   44.248   16.060  ?   ?       ?      ? 
1 1 1    8   22   36 o   39.255   15.474   10.768   12.119   10.768   12.119   0.0000   0.0000   39.255   15.474  ?   ?       ?      ? 
1 1 1    8   22   37 o   63.669   16.463   35.812   14.310   35.812   14.310   0.0000   0.0000   63.669   16.463  ?   ?       ?      ? 
1 1 1    8   22   38 o   25.236   12.022 -10.2249   11.346 -10.2249   11.346   0.0000   0.0000   25.236   12.022  ?   ?       ?      ? 
1 1 1    8   22   39 o   38.200   15.485   9.9135   12.484   9.9135   12.484   0.0000   0.0000   38.200   15.485  ?   ?       ?      ? 
1 1 1    8   22   40 o   37.429   15.077   9.6709   11.755   9.6709   11.755   0.0000   0.0000   37.429   15.077  ?   ?       ?      ? 
1 1 1    8   23    0 o   59.886   10.088   28.240   8.1314   35.276   12.004   22.274   11.054   67.170   13.653   52.603   14.854 14.56724 20.17560 
1 1 1    8   23    1 o   41.736   10.165   11.856   7.6043   3.2669   10.778   20.369   10.730   33.072   13.978   50.400   14.763 -17.32726 20.33046 
1 1 1    8   23    2 o   57.832   10.276   26.645   8.0745   31.020   11.779   22.767   11.090   62.511   14.225   53.154   14.833 9.357071 20.55151 
1 1 1    8   23    3 o   35.716   10.067   6.9129   7.3433   5.7847   10.414   8.0289   10.356   34.726   14.119   36.705   14.355 -1.979794 20.13481 
1 1 1    8   23    4 o   54.876   10.274   23.842   7.9716   32.094   11.688   16.664   10.900   63.771   13.916   45.982   15.117 17.78873 20.54710 
1 1 1    8   23    5 o   52.942   10.447   22.592   8.0344   15.861   11.370   29.305   11.355   45.125   15.448   60.758   14.068 -15.63297 20.89390 
1 1 1    8   23    6 o   39.181   10.128   9.8709   7.4140   16.395   10.480   3.3342   10.490   45.609   14.815   32.752   13.814 12.85705 20.25563 
1 1 1    8   23    7 o   39.395   9.8585   8.9619   7.3926   19.572   10.687  -0.7723   10.237   49.337   14.805   29.453   13.022 19.88389 19.71698 
1 1 1    8   23    8 o   39.354   10.983   9.6175   8.5754   10.999   10.893   7.3670   13.906   39.849   14.933   38.859   16.111 0.9899979 21.96679 
1 1 1    8   23    9 o   35.614   10.431   5.5810   8.2544   8.3325   10.366   0.8136   13.645   36.896   14.380   34.332   15.114 2.564880 20.86241 
1 1 1    8   23   10 o   43.289   11.100   14.178   8.4927   16.774   10.828   10.029   13.690   45.950   15.065   40.628   16.305 5.322201 22.19917 
1 1 1    8   23   11 o   69.970   10.785   39.696   9.7585   39.583   12.526   39.869   15.566   71.098   13.494   68.842   16.827 2.256058 21.56937 
1 1 1    8   23   12 o   73.490   10.656   42.358   10.052   37.488   12.770   50.293   16.300   68.616   14.201   78.365   15.893 -9.749115 21.31298 
1 1 1    8   23   13 o   76.728   10.572   50.166   10.436   63.615   13.779   32.072   15.983   92.873   10.948   60.582   18.088 32.29172 21.14305 
1 1 1    8   23   14 o   39.101   10.883   9.5463   8.6824   13.397   10.915   2.9133   14.326   42.118   15.081   36.083   15.694 6.035255 21.76544 
1 1 1    8   23   15 o   38.152   10.156   8.1415   8.3630   17.308   10.424  -8.4174   14.010   46.398   14.745   29.906   13.971 16.49252 20.31251 
1 1 1    8   23   16 f   52.218   12.201   21.248   8.4785   21.248   8.4785   0.0000   0.0000   52.218   12.201  ?   ?       ?      ? 
1 1 1    8   23   17 o   42.825   12.698   14.361   7.8974   14.361   7.8974   0.0000   0.0000   42.825   12.698  ?   ?       ?      ? 
1 1 1    8   23   18 o   23.183   10.528  -2.9544   7.1962  -2.9544   7.1962   0.0000   0.0000   23.183   10.528  ?   ?       ?      ? 
1 1 1    8   23   19 o   64.265   10.144   30.270   8.8341   30.270   8.8341   0.0000   0.0000   64.265   10.144  ?   ?       ?      ? 
1 1 1    8   23   20 o   49.771   12.850   19.683   8.7263   19.683   8.7263   0.0000   0.0000   49.771   12.850  ?   ?       ?      ? 
1 1 1    8   23   21 o   29.241   12.042   3.4310   7.6964   3.4310   7.6964   0.0000   0.0000   29.241   12.042  ?   ?       ?      ? 
1 1 1    8   23   22 o   67.158   10.004   33.114   9.1046   33.114   9.1046   0.0000   0.0000   67.158   10.004  ?   ?       ?      ? 
1 1 1    8   23   23 o   38.823   13.006   11.595   8.0579   11.595   8.0579   0.0000   0.0000   38.823   13.006  ?   ?       ?      ? 
1 1 1    8   23   24 o   50.663   12.255   20.318   8.3218   20.318   8.3218   0.0000   0.0000   50.663   12.255  ?   ?       ?      ? 
1 1 1    8   23   25 o   56.176   11.857   24.711   8.7430   24.711   8.7430   0.0000   0.0000   56.176   11.857  ?   ?       ?      ? 
1 1 1    8   23   26 o   40.374   13.146   12.916   8.2503   12.916   8.2503   0.0000   0.0000   40.374   13.146  ?   ?       ?      ? 
1 1 1    8   23   27 o   31.744   12.473   5.9769   7.8491   5.9769   7.8491   0.0000   0.0000   31.744   12.473  ?   ?       ?      ? 
1 1 1    8   23   28 o   33.414   12.660   7.5227   7.8780   7.5227   7.8780   0.0000   0.0000   33.414   12.660  ?   ?       ?      ? 
1 1 1    8   23   29 o   34.749   12.874   8.6521   8.0513   8.6521   8.0513   0.0000   0.0000   34.749   12.874  ?   ?       ?      ? 
1 1 1    8   23   30 o   48.927   12.779   19.600   8.5650   19.600   8.5650   0.0000   0.0000   48.927   12.779  ?   ?       ?      ? 
1 1 1    8   23   31 o   36.503   12.989   10.264   8.0853   10.264   8.0853   0.0000   0.0000   36.503   12.989  ?   ?       ?      ? 
1 1 1    8   23   32 f   29.649   12.051   4.5750   7.5834   4.5750   7.5834   0.0000   0.0000   29.649   12.051  ?   ?       ?      ? 
1 1 1    8   23   33 o   39.909   12.883   13.102   7.9341   13.102   7.9341   0.0000   0.0000   39.909   12.883  ?   ?       ?      ? 
1 1 1    8   23   34 o   27.740   11.661   2.9647   7.4361   2.9647   7.4361   0.0000   0.0000   27.740   11.661  ?   ?       ?      ? 
1 1 1    8   23   35 o   23.067   10.864  -6.3073   8.7706  -6.3073   8.7706   0.0000   0.0000   23.067   10.864  ?   ?       ?      ? 
1 1 1    8   24    0 o   57.234   10.242   26.809   7.9045   28.676   11.958   25.359   10.534   58.688   14.984   55.779   13.968 2.908749 20.48420 
1 1 1    8   24    1 o   44.658   10.404   16.277   7.5665   10.942   11.475   20.381   10.065   39.484   15.201   49.833   14.210 -10.34885 20.80878 
1 1 1    8   24    2 o   28.607   8.9550  -0.8993   6.9839  -4.9173   10.311   2.5068   9.4932   26.688   12.300   30.527   13.019 -3.839182 17.90995 
1 1 1    8   24    3 o   51.808   10.348   22.477   7.7107   18.189   11.284   26.232   10.561   46.835   15.380   56.780   13.849 -9.945305 20.69657 
1 1 1    8   24    4 o   52.889   10.402   22.918   7.7460   27.789   11.618   19.020   10.393   57.814   14.774   47.963   14.646 9.851139 20.80331 
1 1 1    8   24    5 o   39.895   11.034   8.8798   8.6307   2.9732   10.876   18.927   14.184   32.354   13.870   47.437   17.165 -15.08294 22.06834 
1 1 1    8   24    6 o   43.435   10.727   14.370   8.8120   23.456   11.524   1.5777   13.674   52.704   15.259   34.167   15.082 18.53727 21.45471 
1 1 1    8   24    7 o   48.260   11.502   18.148   8.9069   11.991   11.319   28.159   14.433   40.254   15.194   56.267   17.273 -16.01361 23.00415 
1 1 1    8   24    8 f   45.969   15.426   17.568   11.335   17.568   11.335   0.0000   0.0000   45.969   15.426  ?   ?       ?      ? 
1 1 1    8   24    9 o   26.270   11.438   0.3973   7.6252   0.3973   7.6252   0.0000   0.0000   26.270   11.438  ?   ?       ?      ? 
1 1 1    8   24   10 o   34.435   12.702   8.2933   7.8208   8.2933   7.8208   0.0000   0.0000   34.435   12.702  ?   ?       ?      ? 
1 1 1    8   24   11 f   25.898   11.274   0.3882   7.4045   0.3882   7.4045   0.0000   0.0000   25.898   11.274  ?   ?       ?      ? 
1 1 1    8   24   12 o   72.934   9.4057   39.006   9.2962   39.006   9.2962   0.0000   0.0000   72.934   9.4057  ?   ?       ?      ? 
1 1 1    8   24   13 o   40.742   12.842   13.252   7.9198   13.252   7.9198   0.0000   0.0000   40.742   12.842  ?   ?       ?      ? 
1 1 1    8   24   14 o   23.806   10.722  -1.9576   7.2831  -1.9576   7.2831   0.0000   0.0000   23.806   10.722  ?   ?       ?      ? 
1 1 1    8   24   15 o   30.773   12.215   5.3671   7.5994   5.3671   7.5994   0.0000   0.0000   30.773   12.215  ?   ?       ?      ? 
1 1 1    8   24   16 o   55.210   11.538   23.987   8.3540   23.987   8.3540   0.0000   0.0000   55.210   11.538  ?   ?       ?      ? 
1 1 1    8   24   17 o   30.438   12.263   4.9580   7.7776   4.9580   7.7776   0.0000   0.0000   30.438   12.263  ?   ?       ?      ? 
1 1 1    8   24   18 o   31.629   12.360   6.2227   7.6732   6.2227   7.6732   0.0000   0.0000   31.629   12.360  ?   ?       ?      ? 
1 1 1    8   24   19 o   28.723   11.856   3.6635   7.4827   3.6635   7.4827   0.0000   0.0000   28.723   11.856  ?   ?       ?      ? 
1 1 1    8   24   20 o   37.768   13.080   11.309   8.1620   11.309   8.1620   0.0000   0.0000   37.768   13.080  ?   ?       ?      ? 
1 1 1    8   24   21 o   25.088   11.155  -0.6236   7.6143  -0.6236   7.6143   0.0000   0.0000   25.088   11.155  ?   ?       ?      ? 
1 1 1    8   24   22 o   36.244   12.994   10.223   8.1067   10.223   8.1067   0.0000   0.0000   36.244   12.994  ?   ?       ?      ? 
1 1 1    8   24   23 o   53.167   12.400   23.240   8.7696   23.240   8.7696   0.0000   0.0000   53.167   12.400  ?   ?       ?      ? 
1 1 1    8   24   24 o   48.640   12.874   19.892   8.6179   19.892   8.6179   0.0000   0.0000   48.640   12.874  ?   ?       ?      ? 
1 1 1    8   24   25 o   37.937   13.121   11.830   8.2118   11.830   8.2118   0.0000   0.0000   37.937   13.121  ?   ?       ?      ? 
1 1 1    8   24   26 o   20.206   9.6860  -8.2824   7.6136  -8.2824   7.6136   0.0000   0.0000   20.206   9.6860  ?   ?       ?      ? 
1 1 1    8   24   27 o   42.244   13.339   15.442   8.5416   15.442   8.5416   0.0000   0.0000   42.244   13.339  ?   ?       ?      ? 
1 1 1    8   24   28 o   41.768   13.316   15.187   8.4963   15.187   8.4963   0.0000   0.0000   41.768   13.316  ?   ?       ?      ? 
1 1 1    8   24   29 o   34.340   14.237   7.9879   10.860   7.9879   10.860   0.0000   0.0000   34.340   14.237  ?   ?       ?      ? 
1 1 1    8   25    0 o   57.709   11.525   30.529   9.6293   22.969   13.191   39.153   14.089   49.516   16.641   65.902   15.949 -16.38656 23.04919 
1 1 1    8   25    1 o   31.232   9.8431   0.5312   8.5176  -3.6350   11.800   5.0638   12.308   28.442   13.126   34.022   14.672 -5.580219 19.68616 
1 1 1    8   25    2 o   34.879   10.490   6.3619   8.6945   7.7615   11.839   4.7233   12.810   35.610   14.823   34.147   14.846 1.463287 20.97938 
1 1 1    8   25    3 o   29.615   9.4988  -1.5341   8.3708   2.2911   11.366  -6.0682   12.374   31.352   13.799   27.879   13.058 3.473026 18.99768 
1 1 1    8   25    4 o   34.709   14.983   5.6379   12.861   0.0000   0.0000   5.6379   12.861  ?   ?    34.709   14.983      ?      ? 
1 1 1    8   25    5 o   46.431   16.663   20.141   13.333   0.0000   0.0000   20.141   13.333  ?   ?    46.431   16.663      ?      ? 
1 1 1    8   25    6 o   29.005   13.413  -3.5798   12.417   0.0000   0.0000  -3.5798   12.417  ?   ?    29.005   13.413      ?      ? 
1 1 1    8   25    8 o   25.672   12.103  -6.9286   10.937  -6.9286   10.937   0.0000   0.0000   25.672   12.103  ?   ?       ?      ? 
1 1 1    8   25    9 o   41.771   13.484   14.968   8.6909   14.968   8.6909   0.0000   0.0000   41.771   13.484  ?   ?       ?      ? 
1 1 1    8   25   10 f   39.313   13.359   13.050   8.5024   13.050   8.5024   0.0000   0.0000   39.313   13.359  ?   ?       ?      ? 
1 1 1    8   25   11 o   30.229   12.439   5.0198   8.2046   5.0198   8.2046   0.0000   0.0000   30.229   12.439  ?   ?       ?      ? 
1 1 1    8   25   12 o   22.851   10.587  -3.8278   7.7902  -3.8278   7.7902   0.0000   0.0000   22.851   10.587  ?   ?       ?      ? 
1 1 1    8   25   13 o   43.246   13.230   16.247   8.4764   16.247   8.4764   0.0000   0.0000   43.246   13.230  ?   ?       ?      ? 
1 1 1    8   25   14 f   23.718   10.820  -2.1667   7.7096  -2.1667   7.7096   0.0000   0.0000   23.718   10.820  ?   ?       ?      ? 
1 1 1    8   25   15 o   39.033   13.184   13.115   8.2809   13.115   8.2809   0.0000   0.0000   39.033   13.184  ?   ?       ?      ? 
1 1 1    8   25   16 o   24.757   11.114  -0.6238   7.7523  -0.6238   7.7523   0.0000   0.0000   24.757   11.114  ?   ?       ?      ? 
1 1 1    8   25   17 o   31.844   12.630   7.1190   8.1192   7.1190   8.1192   0.0000   0.0000   31.844   12.630  ?   ?       ?      ? 
1 1 1    8   25   18 o   26.325   11.595   1.1494   8.0401   1.1494   8.0401   0.0000   0.0000   26.325   11.595  ?   ?       ?      ? 
1 1 1    8   25   19 o   54.858   12.586   25.982   9.1576   25.982   9.1576   0.0000   0.0000   54.858   12.586  ?   ?       ?      ? 
1 1 1    8   25   20 o   31.449   12.610   6.9813   8.1813   6.9813   8.1813   0.0000   0.0000   31.449   12.610  ?   ?       ?      ? 
1 1 1    8   25   21 o   36.186   13.177   11.377   8.3782   11.377   8.3782   0.0000   0.0000   36.186   13.177  ?   ?       ?      ? 
1 1 1    8   25   22 o   25.783   11.464   0.8394   8.0426   0.8394   8.0426   0.0000   0.0000   25.783   11.464  ?   ?       ?      ? 
1 1 1    9    0    0 o  683.942   11.369  3173.74  105.303  3173.74  105.303   0.0000   0.0000  683.942   11.369  683.942   11.369 -0.000000 0.000000 
1 1 1    9    0    1 o  302.673   6.4723  621.682   26.520  621.682   26.520   0.0000   0.0000  302.673   6.4723  302.673   6.4723 -0.000000 0.000000 
1 1 1    9    0    2 o  300.082   6.4496  612.033   26.172  608.564   36.913  615.541   37.114  299.225   9.1226  300.940   9.1197 -0.000000 0.000000 
1 1 1    9    0    3 o  208.162   5.5841  294.916   15.699  300.634   22.314  289.312   22.091  210.173   7.8597  206.152   7.9344 -0.000000 0.000000 
1 1 1    9    0    4 o  140.433   5.2003  134.775   9.8307  139.268   13.930  130.317   13.875  142.802   7.2410  138.063   7.4660 -0.000000 0.000000 
1 1 1    9    0    5 o  499.607   8.8615  1695.57   59.907  1677.56   84.185  1714.04   85.268  496.916   12.520  502.297   12.544 -0.000000 0.000000 
1 1 1    9    0    6 o  805.597   13.125  4412.34  143.110  4410.27  202.277  4414.42  202.500  805.408   18.555  805.786   18.567 -0.000000 0.000000 
1 1 1    9    0    7 o  858.568   13.904  5003.00  161.399  5242.49  235.095  4789.49  221.974  877.973   19.782  839.163   19.544 -0.000000 0.000000 
1 1 1    9    0    8 o  380.769   7.3553  984.930   37.883  1008.33   54.075  962.374   53.088  385.222   10.376  376.316   10.428 -0.000000 0.000000 
1 1 1    9    0    9 o  429.748   7.9598  1254.96   46.283  1262.02   65.565  1247.94   65.344  430.958   11.244  428.539   11.270 -0.000000 0.000000 
1 1 1    9    0   10 o  435.200   11.399  1287.11   67.125   0.0000   0.0000  1287.11   67.125  435.200   11.399  435.200   11.399 -0.000000 0.000000 
1 1 1    9    0   12 o  359.794   10.077  879.870   49.043   0.0000   0.0000  879.870   49.043  359.794   10.077  359.794   10.077 -0.000000 0.000000 
1 1 1    9    0   13 o  145.096   5.2079  143.872   10.175  147.287   14.300  140.372   14.481  146.876   7.2245  143.316   7.5030 -0.000000 0.000000 
1 1 1    9    0   14 f  460.464   8.3482  1440.84   52.010  1425.45   72.997  1456.71   74.124  457.965   11.780  462.963   11.832 -0.000000 0.000000 
1 1 1    9    0   15 o  752.914   12.376  3856.22  126.114  3881.70  178.917  3831.05  177.793  755.391   17.499  750.438   17.505 -0.000000 0.000000 
1 1 1    9    0   16 o  656.305   11.008  2927.22   97.751  3000.93  140.177  2857.44  136.382  664.354   15.590  648.256   15.545 -0.000000 0.000000 
1 1 1    9    0   17 f  403.371   7.6434  1104.36   41.686  1156.70   60.126  1055.91   57.846  412.587   10.770  394.154   10.848 -0.000000 0.000000 
1 1 1    9    0   18 o  590.720   10.094  2370.87   80.682  2420.58  115.316  2323.19  112.925  596.795   14.277  584.645   14.272 -0.000000 0.000000 
1 1 1    9    0   19 o  490.843   12.358  1637.04   82.083  1637.04   82.083   0.0000   0.0000  490.843   12.358  490.843   12.358 -0.000000 0.000000 
1 1 1    9    0   20 o  747.683   17.383  3800.12  175.907  3800.12  175.907   0.0000   0.0000  747.683   17.383  747.683   17.383 -0.000000 0.000000 
1 1 1    9    0   21 o  725.078   11.979  3573.09  117.561  3590.60  166.586  3555.72  165.930  726.852   16.933  723.305   16.950 -0.000000 0.000000 
1 1 1    9    0   22 o  481.921   8.6515  1577.74   56.417  1575.33   79.594  1580.18   79.979  481.552   12.215  482.289   12.255 -0.000000 0.000000 
1 1 1    9    0   23 o  925.606   14.889  5822.23  186.478  5697.67  259.873  5954.45  267.741  915.403   20.974  935.809   21.137 -0.000000 0.000000 
1 1 1    9    0   24 o  659.271   11.057  2952.83   98.651  2980.96  140.104  2925.18  138.932  662.390   15.628  656.152   15.645 -0.000000 0.000000 
1 1 1    9    0   25 o  412.927   7.8022  1156.94   43.560  1212.85   62.819  1105.17   60.455  422.549   10.987  403.306   11.080 -0.000000 0.000000 
1 1 1    9    0   26 o  576.354   9.9303  2256.37   77.450  2288.19  110.177  2225.29  108.897  580.378   14.027  572.329   14.060 -0.000000 0.000000 
1 1 1    9    0   27 o  459.671   8.4128  1431.30   52.249  1528.88   76.246  1344.90   71.743  474.432   11.876  444.910   11.919 -0.000000 0.000000 
1 1 1    9    0   28 o  595.735   10.203  2409.40   82.231  2348.02  114.413  2474.99  118.267  587.885   14.381  603.586   14.478 -0.000000 0.000000 
1 1 1    9    0   29 o  825.103   13.449  4613.11  149.946  4374.75  204.935  4887.75  219.974  802.220   18.875  847.986   19.165 -0.000000 0.000000 
1 1 1    9    0   30 o  774.348   12.713  4071.69  133.170  4202.30  192.069  3950.78  184.803  786.305   18.047  762.391   17.910 -0.000000 0.000000 
1 1 1    9    0   31 o  218.170   5.8759  324.035   17.314  321.259   24.511  326.800   24.460  217.228   8.3547  219.112   8.2645 -0.000000 0.000000 
1 1 1    9    0   32 o  675.334   16.003  3099.69  146.265   0.0000   0.0000  3099.69  146.265  675.334   16.003  675.334   16.003 -0.000000 0.000000 
1 1 1    9    0   33 o  660.348   15.718  2963.83  140.474   0.0000   0.0000  2963.83  140.474  660.348   15.718  660.348   15.718 -0.000000 0.000000 
1 1 1    9    0   34 o  956.875   15.418  6185.14  198.881  5714.14  267.013  6772.06  298.062  916.256   21.532  997.495   22.075 -0.000000 0.000000 
1 1 1    9    0   35 o  353.230   7.2123  845.372   34.402  907.796   50.288  790.462   47.165  365.481   10.171  340.979   10.228 -0.000000 0.000000 
1 1 1    9    0   36 o  739.013   12.268  3692.11  122.319  4010.24  181.975  3429.90  165.209  767.901   17.508  710.125   17.191 -0.000000 0.000000 
1 1 1    9    0   38 o  513.097   12.964  1789.70   90.013  1789.70   90.013   0.0000   0.0000  513.097   12.964  513.097   12.964 -0.000000 0.000000 
1 1 1    9    0   39 o  188.127   8.4023  241.387   21.323  241.387   21.323   0.0000   0.0000  188.127   8.4023  188.127   8.4023 -0.000000 0.000000 
1 1 1    9    0   40 o  500.595   9.0147  1702.51   61.037  1648.03   84.861  1760.91   87.857  492.290   12.740  508.900   12.758 -0.000000 0.000000 
1 1 1    9    0   41 o  275.050   6.4805  514.734   24.093  520.398   34.243  509.181   33.904  276.554   9.1600  273.546   9.1696 -0.000000 0.000000 
1 1 1    9    0   44 o  305.887   6.8236  636.738   28.220  635.961   40.053  637.504   39.767  305.695   9.6908  306.078   9.6091 -0.000000 0.000000 
1 1 1    9    0   45 o  701.385   11.802  3333.89  111.685  3092.91  150.972  3625.20  165.987  673.541   16.563  729.229   16.817 -0.000000 0.000000 
1 1 1    9    0   47 o  444.893   8.3811  1343.64   50.374  1260.04   69.197  1437.91   73.474  430.174   11.891  459.613   11.814 -0.000000 0.000000 
1 1 1    9    0   48 o   96.801   6.8536   65.508   8.7629   65.315   12.811   65.677   12.013   96.554   10.039   97.049   9.3325 -0.000000 0.000000 
1 1 1    9    0   49 o  264.650   9.1184  477.103   32.614   0.0000   0.0000  477.103   32.614  264.650   9.1184  264.650   9.1184 -0.000000 0.000000 
1 1 1    9    0   50 o  184.383   8.4518  232.178   21.017   0.0000   0.0000  232.178   21.017  184.383   8.4518  184.383   8.4518 -0.000000 0.000000 
1 1 1    9    0   52 o  108.392   6.6264   81.493   9.5551   82.795   13.888   80.322   13.167  109.180   9.5549  107.604   9.1837 -0.000000 0.000000 
1 1 1    9    0   55 o  236.752   9.1479  382.471   29.250  382.471   29.250   0.0000   0.0000  236.752   9.1479  236.752   9.1479 -0.000000 0.000000 
1 1 1    9    0   56 o  132.359   9.2322  120.754   16.374  120.754   16.374   0.0000   0.0000  132.359   9.2322  132.359   9.2322 -0.000000 0.000000 
1 1 1    9    0   58 o  169.375   6.2926  195.837   14.320  214.197   20.922  179.652   19.643  176.904   8.7765  161.846   9.0201 -0.000000 0.000000 
1 1 1    9    0   59 o  317.692   7.1302  688.624   30.624  679.678   43.350  697.535   43.268  315.610   10.160  319.774   10.007 -0.000000 0.000000 
1 1 1    9    0   61 o  460.946   8.7565  1450.17   54.572  1505.98   78.917  1399.03   75.546  469.439   12.425  452.453   12.342 -0.000000 0.000000 
1 1 1    9    0   63 o   56.918   11.949   27.043   8.1256   33.945   12.130   21.425   10.944   65.555   15.744   48.281   17.977 -0.000000 0.000000 
1 1 1    9    0   64 o  119.744   6.9814   99.685   11.134   97.237   16.051  101.955   15.458  118.200   10.195  121.288   9.5406 -0.000000 0.000000 
1 1 1    9    0   65 o  111.432   10.062   86.618   14.909   0.0000   0.0000   86.618   14.909  111.432   10.062  111.432   10.062 -0.000000 0.000000 
1 1 1    9    0   66 o  111.903   10.228   87.460   15.212   0.0000   0.0000   87.460   15.212  111.903   10.228  111.903   10.228 -0.000000 0.000000 
1 1 1    9    0   68 o  187.520   6.6255  241.622   16.734  237.133   23.826  245.992   23.509  185.746   9.5228  189.294   9.2143 -0.000000 0.000000 
1 1 1    9    0   69 o  153.766   6.6445  163.189   13.704  151.992   19.269  174.648   19.493  148.283   9.6840  159.249   9.1005 -0.000000 0.000000 
1 1 1    9    0   70 o   41.841   18.712   17.563   11.290   17.563   11.290   0.0000   0.0000   41.841   18.712   41.841   18.712 -0.000000 0.000000 
1 1 1    9    0   71 o   80.538   13.529   48.186   13.514   48.186   13.514   0.0000   0.0000   80.538   13.529   80.538   13.529 -0.000000 0.000000 
1 1 1    9    0   72 o  130.234   7.1195  117.698   12.309  136.546   18.050  101.311   16.829  140.270   9.5988  120.198   10.517 -0.000000 0.000000 
1 1 1    9    0   73 o  166.546   6.6817  191.953   14.959  188.447   21.408  195.298   20.911  164.971   9.6517  168.120   9.2426 -0.000000 0.000000 
1 1 1    9    0   74 o   26.778   10.389  -1.6337   6.9110   15.969   10.651 -14.4345   9.0826   39.464   18.156   14.092   10.104 -0.000000 0.000000 
1 1 1    9    0   75 o  151.850   6.8118  160.523   13.875  156.578   19.880  164.269   19.373  149.905   9.8847  153.796   9.3754 -0.000000 0.000000 
1 1 1    9    0   76 o  113.988   7.7339   93.454   11.388   75.105   16.245  111.187   15.970  101.910   12.229  126.067   9.4708 -0.000000 0.000000 
1 1 1    9    0   77 o  122.231   7.3839  104.394   11.915  124.515   17.847   88.210   16.006  133.153   10.021  111.309   10.848 -0.000000 0.000000 
1 1 1    9    0   78 o   38.893   18.176   15.927   10.691   0.0000   0.0000   15.927   10.691   38.893   18.176   38.893   18.176 -0.000000 0.000000 
1 1 1    9    0   79 o   89.968   14.650   61.491   16.440   61.491   16.440   0.0000   0.0000   89.968   14.650   89.968   14.650 -0.000000 0.000000 
1 1 1    9    0   80 o  113.150   10.707   91.660   16.079   0.0000   0.0000   91.660   16.079  113.150   10.707  113.150   10.707 -0.000000 0.000000 
1 1 1    9    0   81 o   49.163   12.616   23.257   8.1833   30.473   11.812   16.596   11.348   59.251   16.969   39.075   18.674 -0.000000 0.000000 
1 1 1    9    0   82 o   42.402   11.869   17.472   7.8959   28.472   11.350   7.1564   10.991   56.793   16.940   28.011   16.631 -0.000000 0.000000 
1 1 1    9    0   83 o  103.991   7.9769   78.778   10.903   80.702   15.637   76.958   15.209  105.256   11.291  102.725   11.271 -0.000000 0.000000 
1 1 1    9    0   84 o  104.785   11.850   80.741   16.272   80.741   16.272   0.0000   0.0000  104.785   11.850  104.785   11.850 -0.000000 0.000000 
1 1 1    9    0   85 o   26.761   11.483   6.0168   7.7261   7.0426   11.282   5.1111   10.602   27.808   16.683   25.715   15.784 -0.000000 0.000000 
1 1 1    9    0   86 o   52.595   13.379   27.073   8.7228   27.480   12.685   26.707   12.014   52.697   19.263   52.492   18.572 -0.000000 0.000000 
1 1 1    9    0   87 o   26.164   11.362   5.1841   7.8468   8.1826   11.337   2.4263   10.872   28.657   16.948   23.672   15.137 -0.000000 0.000000 
1 1 1    9    0   88 o   39.022   13.505   17.531   8.6651   21.219   12.288   13.884   12.221   43.608   19.522   34.436   18.666 -0.000000 0.000000 
1 1 1    9    0   89 o   57.983   13.335   32.508   9.4422   27.282   13.273   37.863   13.435   50.667   20.065   65.298   17.569 -0.000000 0.000000 
1 1 1    9    0   90 f   25.179   11.302   3.7053   8.4454   0.5723   11.681   7.1363   12.224   22.747   14.958   27.610   16.948 -0.000000 0.000000 
1 1 1    9    0   91 o   41.442   14.298   21.176   9.4685   20.861   13.260   21.504   13.525   41.150   20.113   41.735   20.328 -0.000000 0.000000 
1 1 1    9    0   92 o   27.942   17.291   7.8892   12.969   0.0000   0.0000   7.8892   12.969   27.942   17.291   27.942   17.291 -0.000000 0.000000 
1 1 1    9    0   93 o   58.637   21.354   37.845   15.619   0.0000   0.0000   37.845   15.619   58.637   21.354   58.637   21.354 -0.000000 0.000000 
1 1 1    9    0   94 o   54.482   20.658   33.650   14.319   0.0000   0.0000   33.650   14.319   54.482   20.658   54.482   20.658 -0.000000 0.000000 
1 1 1    9    1    0 o  912.862   12.714  5708.16  149.351  5509.16  252.516  5815.23  185.221  900.132   20.701  925.593   14.767 -25.46051 25.42853 
1 1 1    9    1    1 o  776.414   10.358  4088.19  108.983   0.0000   0.0000  4088.19  108.983  ?   ?   776.414   10.358      ?      ? 
1 1 1    9    1    2 o  453.215   6.7253  1392.30   41.305   0.0000   0.0000  1392.30   41.305  ?   ?   453.215   6.7253      ?      ? 
1 1 1    9    1    3 o  681.129   9.2382  3145.93   85.271   0.0000   0.0000  3145.93   85.271  ?   ?   681.129   9.2382      ?      ? 
1 1 1    9    1    4 o  897.855   12.499  5462.68  143.082  5526.39  249.500  5431.46  174.656  901.287   20.428  894.423   14.410 6.864136 24.99885 
1 1 1    9    1    5 o  798.589   13.021  4335.08  140.884  4267.77  196.999  4405.54  201.560  792.256   18.349  804.922   18.479 -12.66644 26.04127 
1 1 1    9    1    6 o  250.703   5.9901  426.031   20.344  442.076   29.066  410.623   28.483  255.330   8.4004  246.076   8.5415 9.253922 11.98015 
1 1 1    9    1    7 o  301.944   4.5445  617.963   18.594  628.224   26.456  607.946   26.138  304.421   6.4130  299.467   6.4408 4.953979 9.089083 
1 1 1    9    1    8 o  461.184   5.9013  1442.04   36.876  1418.38   51.665  1466.62   52.651  457.329   8.3365  465.039   8.3548 -7.710632 11.80251 
1 1 1    9    1    9 o  402.417   5.3698  1098.01   29.282  1111.35   41.638  1084.95   41.187  404.836   7.5898  399.999   7.5983 4.837585 10.73960 
1 1 1    9    1   10 o  318.553   4.6759  687.905   20.183  677.292   28.362  698.795   28.729  316.064   6.6218  321.043   6.6036 -4.978729 9.351750 
1 1 1    9    1   11 o  179.944   3.7738  219.485   9.2022  221.635   13.047  217.356   12.981  180.822   5.3244  179.067   5.3496 1.754532 7.547670 
1 1 1    9    1   12 o  436.364   8.0237  1291.48   47.447  1291.48   47.447   0.0000   0.0000  436.364   8.0237  ?   ?       ?      ? 
1 1 1    9    1   13 o  420.674   5.5277  1200.13   31.511  1188.05   44.335  1212.47   44.794  418.534   7.8169  422.814   7.8178 -4.280884 11.05542 
1 1 1    9    1   14 o  206.172   4.7862  290.365   12.651  281.529   21.585  294.988   15.614  203.740   7.8181  208.603   5.5233 -4.863419 9.572332 
1 1 1    9    1   15 o  543.130   13.312  2004.20   97.979  2004.20   97.979   0.0000   0.0000  543.130   13.312  ?   ?       ?      ? 
1 1 1    9    1   16 o  516.495   9.0621  1809.71   63.427  1809.71   63.427   0.0000   0.0000  516.495   9.0621  ?   ?       ?      ? 
1 1 1    9    1   17 o  321.859   5.7639  708.180   23.804  720.476   29.416  684.852   40.517  325.988   6.6589  317.731   9.4100 8.257294 11.52778 
1 1 1    9    1   18 o  323.457   4.7251  709.294   20.711  715.170   29.347  703.461   29.234  324.792   6.6676  322.122   6.6971 2.670563 9.450282 
1 1 1    9    1   19 f  452.703   5.8263  1389.47   35.740  1371.33   50.156  1408.19   50.940  449.702   8.2303  455.704   8.2489 -6.002228 11.65254 
1 1 1    9    1   20 o  314.045   4.6633  668.420   19.844  657.487   27.841  679.709   28.292  311.435   6.5968  316.655   6.5931 -5.219513 9.326611 
1 1 1    9    1   21 f  777.940   8.9889  4106.44   94.755  4062.54  133.020  4151.67  135.011  773.721   12.687  782.158   12.738 -8.437134 17.97782 
1 1 1    9    1   22 o  777.975   11.010  4099.26  109.233  4141.62  190.346  4078.46  133.382  780.677   17.992  775.272   12.696 5.405151 22.02069 
1 1 1    9    1   23 o  296.291   5.5867  594.869   21.164  596.002   36.620  594.301   25.933  296.477   9.1147  296.106   6.4628 0.3701782 11.17342 
1 1 1    9    1   24 o  1204.76   13.434  9856.79  219.230 10136.83  315.784  9596.26  304.594  1221.25   19.081  1188.27   18.916 32.97742 26.86804 
1 1 1    9    1   25 o  1072.46   12.039  7802.31  174.848  7550.12  241.841  8078.51  253.088  1054.34   16.927  1090.57   17.125 -36.23840 24.07853 
1 1 1    9    1   26 o  552.613   6.7765  2070.56   50.744  2094.55   72.169  2047.10   71.365  555.779   9.5822  549.447   9.5847 6.331726 13.55300 
1 1 1    9    1   27 o  878.826   10.051  5231.57  119.574  5483.54  173.996  5006.07  164.602  898.830   14.285  858.822   14.143 40.00781 20.10201 
1 1 1    9    1   28 o  920.216   14.785  5748.58  184.367  5748.58  184.367   0.0000   0.0000  920.216   14.785  ?   ?       ?      ? 
1 1 1    9    1   29 o  313.782   5.7426  660.397   22.993  688.544   40.325  646.838   27.989  318.652   9.3384  308.911   6.6860 9.741638 11.48514 
1 1 1    9    1   30 o  806.906   11.411  4445.43  118.146  4351.06  201.683  4494.74  145.777  800.021   18.603  813.790   13.219 -13.76843 22.82135 
1 1 1    9    1   31 f  996.486   11.280  6745.38  152.318  6788.13  216.286  6703.32  214.546  999.615   15.967  993.356   15.938 6.259155 22.55994 
1 1 1    9    1   32 o  476.091   6.1026  1536.60   39.366  1511.65   55.081  1562.64   56.281  472.143   8.6089  480.038   8.6517 -7.895538 12.20512 
1 1 1    9    1   34 o  726.114   10.423  3563.15   96.266  3527.46  117.125  3637.46  168.999  720.876   11.990  731.352   17.052 -10.47577 20.84514 
1 1 1    9    1   35 o  563.691   13.876  2158.57  105.995   0.0000   0.0000  2158.57  105.995  ?   ?   563.691   13.876      ?      ? 
1 1 1    9    1   36 o  380.206   6.4543  962.444   31.103  930.968   37.520  1031.60   55.613  370.526   7.4724  389.886   10.526 -19.35980 12.90856 
1 1 1    9    1   37 o  388.425   6.5589  1014.84   32.415  998.547   39.389  1049.02   57.055  383.722   7.5748  393.128   10.710 -9.406097 13.11773 
1 1 1    9    1   38 o  274.275   4.5482  509.699   16.898  492.470   23.556  527.969   24.256  269.502   6.4499  279.048   6.4144 -9.545380 9.096434 
1 1 1    9    1   39 o  283.590   4.6085  545.343   17.710  544.439   24.971  546.257   25.122  283.354   6.5031  283.826   6.5317 -0.4716797 9.216981 
1 1 1    9    1   40 o  415.041   11.240  1170.16   63.220  1170.16   63.220   0.0000   0.0000  415.041   11.240  ?   ?       ?      ? 
1 1 1    9    1   41 o  391.144   10.847  1039.37   57.497  1039.37   57.497   0.0000   0.0000  391.144   10.847  ?   ?       ?      ? 
1 1 1    9    1   42 o  631.031   10.776  2705.81   92.145  2705.81   92.145   0.0000   0.0000  631.031   10.776  ?   ?       ?      ? 
1 1 1    9    1   43 o  214.438   4.2907  311.822   12.467  305.119   17.505  318.721   17.760  212.099   6.0903  216.777   6.0456 -4.677567 8.581453 
1 1 1    9    1   44 o  191.466   4.2024  248.424   10.892  265.369   15.643  232.479   15.174  197.801   5.8358  185.131   6.0483 12.67021 8.404718 
1 1 1    9    1   45 o  191.042   4.2135  247.548   10.907  253.890   15.508  241.343   15.341  193.464   5.9154  188.620   6.0019 4.843994 8.427049 
1 1 1    9    1   47 o  382.176   6.5682  987.093   32.042  1010.14   55.896  975.810   39.105  385.274   10.706  379.078   7.6123 6.196930 13.13637 
1 1 1    9    1   48 o  157.339   5.0322  164.327   10.252  180.607   17.633  156.012   12.601  163.053   7.9801  151.625   6.1327 11.42796 10.06439 
1 1 1    9    1   49 o  379.494   5.3790  978.120   27.660  966.678   38.812  989.930   39.430  377.241   7.5921  381.747   7.6220 -4.506378 10.75800 
1 1 1    9    1   50 o  429.734   8.2329  1255.23   47.944   0.0000   0.0000  1255.23   47.944  ?   ?   429.734   8.2329      ?      ? 
1 1 1    9    1   51 o  479.901   7.6691  1581.90   47.212  1608.87   58.339  1530.72   80.368  486.341   8.8519  473.461   12.526 12.87949 15.33812 
1 1 1    9    1   52 o  261.283   5.5935  460.854   18.672  454.502   22.795  473.806   32.551  258.706   6.5022  263.861   9.1034 -5.154510 11.18708 
1 1 1    9    1   53 o  226.074   5.5423  355.122   15.993  371.895   19.828  323.892   27.055  234.023   6.2522  218.124   9.1530 15.89807 11.08453 
1 1 1    9    1   54 o  162.516   5.3093  175.568   11.014  168.172   13.351  191.326   19.488  157.360   6.2607  167.673   8.5767 -10.31262 10.61870 
1 1 1    9    1   55 o  433.219   5.8867  1276.58   34.550  1244.92   48.252  1309.89   49.495  427.710   8.3250  438.729   8.3250 -11.01874 11.77331 
1 1 1    9    1   56 o  290.908   4.8238  575.180   19.016  576.965   26.906  573.398   26.880  291.360   6.8145  290.456   6.8292 0.9041443 9.647559 
1 1 1    9    1   57 o  179.540   5.4046  218.041   12.366  223.013   21.636  215.629   15.071  180.930   8.8242  178.150   6.2426 2.779434 10.80911 
1 1 1    9    1   58 o  187.621   4.4496  239.053   11.304  253.397   16.197  225.432   15.783  193.114   6.1891  182.129   6.3947 10.98505 8.899267 
1 1 1    9    1   59 f  228.669   4.5554  355.388   14.115  362.050   20.076  348.875   19.849  230.791   6.4192  226.548   6.4653 4.243210 9.110731 
1 1 1    9    1   60 f  229.447   4.6068  357.904   14.323  362.401   20.363  353.500   20.151  230.875   6.5087  228.020   6.5214 2.854401 9.213673 
1 1 1    9    1   62 o  334.740   5.1948  762.854   23.564  759.813   33.280  765.911   33.370  334.069   7.3513  335.409   7.3418 -1.340057 10.38960 
1 1 1    9    1   63 o  359.388   6.5171  852.049   29.573  964.847   53.850  803.342   35.386  375.381   10.586  343.395   7.6042 31.98566 13.03414 
1 1 1    9    1   64 o  255.319   5.7189  429.047   18.624  490.376   33.312  401.163   22.462  267.886   9.1762  242.753   6.8281 25.13324 11.43788 
1 1 1    9    1   65 o  128.025   6.9145  111.636   11.996  111.636   11.996   0.0000   0.0000  128.025   6.9145  ?   ?       ?      ? 
1 1 1    9    1   66 o  187.753   6.5044  240.057   16.549  240.057   16.549   0.0000   0.0000  187.753   6.5044  ?   ?       ?      ? 
1 1 1    9    1   67 o  260.797   5.9133  468.880   19.736  476.961   24.333  453.347   33.738  264.514   6.7884  257.080   9.6842 7.433990 11.82651 
1 1 1    9    1   68 o  118.665   5.0908   96.179   8.1681  104.568   11.645   88.056   11.460  123.791   6.9419  113.538   7.4482 10.25368 10.18166 
1 1 1    9    1   69 o  116.691   6.2251   93.211   9.2588   92.771   11.308   94.105   16.128  116.523   7.1611  116.860   10.185 -0.3375320 12.45015 
1 1 1    9    1   70 o  229.118   6.6907  358.608   20.774  358.608   20.774   0.0000   0.0000  229.118   6.6907  ?   ?       ?      ? 
1 1 1    9    1   71 o  136.035   4.9177  126.721   9.0583  121.470   12.854  131.900   12.767  133.202   7.1212  138.869   6.7842 -5.667282 9.835470 
1 1 1    9    1   72 o   80.771   7.8846   47.811   7.6476   41.253   13.388   50.988   9.3174   75.422   13.599   86.119   7.9839 -10.69649 15.76928 
1 1 1    9    1   73 o   90.751   5.6363   56.696   6.9289   54.536   9.7067   58.940   9.8939   88.975   8.0505   92.528   7.8906 -3.553246 11.27264 
1 1 1    9    1   74 o   88.237   5.6215   53.768   6.7142   56.402   9.4650   51.100   9.5260   90.460   7.7212   86.015   8.1724 4.444397 11.24299 
1 1 1    9    1   75 o   74.062   7.6792   35.293   7.1536   24.827   8.7489   56.405   12.426   58.392   11.466   89.732   10.219 -31.34057 15.35846 
1 1 1    9    1   76 o  135.434   6.0138  125.281   10.347  134.111   18.369  121.177   12.523  138.299   9.8015  132.568   6.9708 5.730530 12.02755 
1 1 1    9    1   77 o   78.126   6.0722   42.617   6.4241   41.549   9.1779   43.642   8.9951   77.114   8.7826   79.138   8.3876 -2.023537 12.14440 
1 1 1    9    1   78 o   99.632   6.7484   72.409   8.4834   62.621   14.350   77.668   10.518   93.474   11.328  105.790   7.3370 -12.31649 13.49687 
1 1 1    9    1   79 o   41.231   8.7466   12.611   5.3830   9.4668   7.7440   15.551   7.4879   36.984   12.745   45.478   11.982 -8.494144 17.49313 
1 1 1    9    1   80 o   76.702   6.1346   41.524   6.3728   41.922   8.8944   41.105   9.1355   77.138   8.5087   76.267   8.8393 0.8709030 12.26912 
1 1 1    9    1   81 o   77.658   8.5151   44.343   8.9537   42.067   12.419   46.806   12.921   75.539   12.132   79.777   11.951 -4.237579 17.03015 
1 1 1    9    1   82 o   88.909   7.2810   56.130   8.3205   53.839   10.188   60.721   14.420   87.078   8.6334   90.740   11.727 -3.662270 14.56205 
1 1 1    9    1   83 o   54.439   9.6567   21.461   6.8463   16.731   8.3443   31.204   11.976   46.330   12.844   62.548   14.423 -16.21860 19.31332 
1 1 1    9    1   84 o   56.751   8.1859   24.557   6.0818   27.951   8.7879   21.437   8.4254   60.859   11.063   52.644   12.068 8.215218 16.37177 
1 1 1    9    1   85 o   73.738   8.9497   42.621   8.0333   39.204   13.983   44.305   9.8147   69.140   15.327   78.336   9.2455 -9.196205 17.89931 
1 1 1    9    1   86 o   87.976   6.1298   55.617   7.3030   56.262   10.546   55.024   10.122   88.385   8.8053   87.567   8.5303 0.8181381 12.25970 
1 1 1    9    1   87 o   52.977   8.7825   22.217   6.2105   19.595   8.6518   25.004   8.9202   49.460   12.807   56.494   12.021 -7.034184 17.56504 
1 1 1    9    1   88 o   66.759   7.7217   33.845   6.7575   28.210   9.3437   40.025   9.7845   59.912   11.928   73.606   9.8095 -13.69402 15.44349 
1 1 1    9    1   89 o   41.153   9.4271   13.811   6.0066   14.248   8.3115   13.334   8.6905   41.766   13.155   40.541   13.506 1.224533 18.85411 
1 1 1    9    1   90 f   43.954   9.3618   17.017   7.3474   0.7100   12.431   25.772   9.1087   31.586   14.134   56.322   12.280 -24.73553 18.72366 
1 1 1    9    1   91 o   35.832   9.3517   8.6286   7.2559  -7.1762   12.273   17.121   8.9966   27.147   12.805   44.517   13.632 -17.36924 18.70339 
1 1 1    9    1   92 o   30.939   9.4622   2.8173   6.8824   9.0315   12.011  -0.2204   8.3977   35.883   14.933   25.994   11.625 9.889132 18.92447 
1 1 1    9    1   93 o   40.605   11.285   15.237   9.3810   20.775   13.069   9.3512   13.474   45.148   16.455   36.061   15.448 9.086834 22.56990 
1 1 1    9    2    0 o  637.402   9.3083  2748.05   75.505  2730.51   91.982  2784.30  132.206  634.470   10.698  640.334   15.236 -5.864136 18.61657 
1 1 1    9    2    1 o  887.444   14.349  5353.25  172.484  5207.36  239.552  5510.31  248.557  874.914   20.205  899.973   20.380 -25.05878 28.69826 
1 1 1    9    2    2 o  1024.40   14.148  7123.43  184.742  7186.52  322.010  7092.48  225.554  1027.07   23.136  1021.73   16.290 5.340881 28.29577 
1 1 1    9    2    3 o  655.519   8.9872  2931.49   69.246  2886.62  137.589  2946.71   80.134  651.857   15.576  659.181   8.9707 -7.323120 17.97431 
1 1 1    9    2    4 o  387.503   6.0695  1001.22   27.258  1051.26   56.196  985.819   31.170  393.647   10.535  381.358   6.0314 12.28870 12.13902 
1 1 1    9    2    5 o  279.709   5.1458  535.434   16.752  520.698   33.677  540.279   19.311  277.081   8.9691  282.336   5.0472 -5.255005 10.29168 
1 1 1    9    2    6 o  337.231   4.8240  770.876   22.043  784.748   31.404  757.404   30.949  340.221   6.8115  334.241   6.8328 5.980621 9.648003 
1 1 1    9    2    7 o  361.936   5.0306  887.553   24.664  919.241   35.410  857.693   34.374  368.207   7.0967  355.665   7.1319 12.54144 10.06115 
1 1 1    9    2    8 o  231.172   4.0581  361.922   12.704  381.730   18.251  343.305   17.693  237.303   5.6754  225.041   5.8018 12.26230 8.116115 
1 1 1    9    2    9 o  149.570   4.2768  149.647   8.3117  144.834   10.297  158.646   14.080  146.175   5.1983  152.964   6.7927 -6.789520 8.553587 
1 1 1    9    2   10 o  246.170   4.9809  408.163   15.775  402.300   19.395  419.625   27.116  243.603   5.8752  248.736   8.0447 -5.132629 9.961730 
1 1 1    9    2   11 f  316.181   5.6168  669.497   22.705  652.970   27.667  703.592   39.737  310.329   6.5789  322.034   9.1056 -11.70441 11.23360 
1 1 1    9    2   12 o  147.982   3.6806  148.105   7.3616  133.642   10.171  164.020   10.669  140.410   5.3453  155.555   5.0612 -15.14510 7.361273 
1 1 1    9    2   13 o  620.996   7.4188  2614.81   62.400  2706.35   89.997  2530.06   86.594  631.450   10.517  610.542   10.466 20.90747 14.83767 
1 1 1    9    2   14 o  696.485   8.1638  3292.42   77.039  3234.55  107.710  3353.03  110.233  690.225   11.515  702.745   11.575 -12.52032 16.32769 
1 1 1    9    2   15 o  374.147   5.1402  949.237   26.062  950.237   36.800  948.231   36.913  374.346   7.2542  373.949   7.2843 0.3965454 10.28033 
1 1 1    9    2   16 o  448.802   5.7917  1365.92   35.223  1383.33   50.051  1348.83   49.578  451.637   8.1778  445.968   8.2036 5.668579 11.58344 
1 1 1    9    2   17 o  503.943   6.3041  1721.80   43.043  1762.78   61.578  1682.64   60.190  509.804   8.9134  498.082   8.9174 11.72293 12.60829 
1 1 1    9    2   18 o  531.504   8.1047  1933.53   55.141  1968.61   67.989  1866.12   94.257  538.746   9.3126  524.263   13.267 14.48370 16.20948 
1 1 1    9    2   19 o  554.185   9.6132  2079.60   72.087  1986.74   98.710  2185.73  105.524  540.973   13.465  567.398   13.724 -26.42432 19.22632 
1 1 1    9    2   20 o  575.222   9.8469  2239.86   76.646  2122.02  105.067  2373.90  112.059  559.101   13.867  591.344   13.984 -32.24219 19.69387 
1 1 1    9    2   21 o  707.863   8.3138  3375.65   79.453  3121.32  106.918  3689.32  118.737  678.303   11.632  737.422   11.882 -59.11890 16.62763 
1 1 1    9    2   22 o  564.240   9.7112  2158.94   74.254  2158.94   74.254   0.0000   0.0000  564.240   9.7112  ?   ?       ?      ? 
1 1 1    9    2   23 o  401.473   5.4126  1090.15   29.412  1161.75   42.728  1025.67   40.548  413.974   7.6165  388.972   7.6925 25.00122 10.82520 
1 1 1    9    2   24 o  319.481   6.7013  691.841   29.013  691.841   29.013   0.0000   0.0000  319.481   6.7013  ?   ?       ?      ? 
1 1 1    9    2   25 o  372.492   6.3973  958.702   30.698  880.706   51.077  1002.81   38.409  360.363   10.459  384.621   7.3691 -24.25821 12.79453 
1 1 1    9    2   26 o  358.964   6.2543  889.790   28.956  819.015   48.084  930.058   36.270  347.519   10.210  370.410   7.2257 -22.89130 12.50853 
1 1 1    9    2   27 o  465.884   11.923  1472.45   75.273  1472.45   75.273   0.0000   0.0000  465.884   11.923  ?   ?       ?      ? 
1 1 1    9    2   28 o  622.647   7.4608  2629.30   62.950  2654.57   89.438  2604.49   88.618  625.612   10.550  619.682   10.553 5.929321 14.92169 
1 1 1    9    2   29 o  234.537   4.2203  372.838   13.407  388.020   19.057  357.959   18.866  239.266   5.8775  229.808   6.0580 9.457489 8.440625 
1 1 1    9    2   30 o  197.528   4.0481  264.519   10.833  269.802   15.266  259.160   15.376  199.516   5.6462  195.540   5.8025 3.976135 8.096215 
1 1 1    9    2   31 o  513.287   6.4433  1785.85   44.807  1835.38   64.170  1738.72   62.591  520.230   9.1024  506.344   9.1219 13.88580 12.88654 
1 1 1    9    2   32 o  979.782   15.672  6522.67  208.087  6522.67  208.087   0.0000   0.0000  979.782   15.672  ?   ?       ?      ? 
1 1 1    9    2   33 o  709.006   10.216  3432.12   92.853  3469.17  114.439  3360.73  158.852  714.934   11.812  703.077   16.673 11.85718 20.43295 
1 1 1    9    2   34 o  382.796   6.4431  958.839   30.989  905.038   36.923  1087.05   56.999  365.341   7.4578  400.251   10.509 -34.91064 12.88617 
1 1 1    9    2   35 o  392.697   5.3975  1045.37   28.717  1075.73   41.005  1016.15   40.229  398.293   7.5972  387.102   7.6689 11.19104 10.79491 
1 1 1    9    2   36 o  235.799   5.3985  383.947   16.183  397.998   19.921  356.680   27.752  242.296   6.0672  229.302   8.9310 12.99416 10.79696 
1 1 1    9    2   37 o  656.049   9.5905  2896.81   79.736  2847.06   96.517  3003.76  141.509  647.592   10.998  664.505   15.715 -16.91351 19.18090 
1 1 1    9    2   38 o  362.344   5.1810  890.411   25.438  904.609   36.083  876.382   35.868  365.217   7.2908  359.471   7.3631 5.746490 10.36196 
1 1 1    9    2   39 o  322.412   4.8908  704.759   21.365  693.335   29.875  716.716   30.565  319.739   6.8950  325.084   6.9383 -5.344757 9.781664 
1 1 1    9    2   40 o  530.027   6.6436  1907.01   47.717  1923.52   67.672  1890.68   67.294  532.311   9.3812  527.743   9.4096 4.567383 13.28710 
1 1 1    9    2   41 o  425.675   5.7182  1229.29   32.980  1256.50   47.070  1203.05   46.223  430.301   8.0722  421.048   8.1012 9.253296 11.43630 
1 1 1    9    2   42 o  349.949   6.3068  838.089   28.268  811.006   48.296  852.201   34.863  345.493   10.316  354.405   7.2591 -8.911438 12.61367 
1 1 1    9    2   43 o  200.465   5.2772  275.254   13.476  265.201   23.250  280.340   16.537  197.628   8.6815  203.303   6.0023 -5.675766 10.55442 
1 1 1    9    2   44 o  306.600   4.8094  637.825   19.982  634.498   28.130  641.213   28.388  305.794   6.7883  307.406   6.8146 -1.612030 9.618708 
1 1 1    9    2   45 o  415.091   6.9577  1190.42   37.236  1106.78   62.043  1237.51   46.552  403.285   11.353  426.898   8.0469 -23.61285 13.91530 
1 1 1    9    2   46 o  381.906   6.5429  979.319   31.828  1026.34   56.072  956.966   38.659  388.395   10.653  375.418   7.5989 12.97647 13.08586 
1 1 1    9    2   47 o  293.307   6.6995  583.933   26.629  583.933   26.629   0.0000   0.0000  293.307   6.6995  ?   ?       ?      ? 
1 1 1    9    2   48 o  136.279   4.3215  126.115   7.9697  134.337   11.307  117.997   11.235  140.702   5.9300  131.856   6.2879 8.846802 8.643019 
1 1 1    9    2   50 o  303.807   6.8102  626.774   28.037  626.774   28.037   0.0000   0.0000  303.807   6.8102  ?   ?       ?      ? 
1 1 1    9    2   51 o  218.005   5.5223  333.210   15.279  355.179   18.947  292.352   25.838  228.736   6.1125  207.273   9.1989 21.46294 11.04453 
1 1 1    9    2   52 o  241.479   5.5772  400.341   17.151  408.201   21.051  384.822   29.580  245.182   6.3358  237.775   9.1802 7.407867 11.15433 
1 1 1    9    2   53 o  290.496   5.8211  566.280   21.545  551.900   26.163  596.579   37.977  285.025   6.7736  295.967   9.4688 -10.94199 11.64215 
1 1 1    9    2   54 o  231.733   6.3777  364.754   20.028  364.754   20.028   0.0000   0.0000  231.733   6.3777  ?   ?       ?      ? 
1 1 1    9    2   55 o  230.811   4.4939  361.921   14.055  367.010   19.871  356.826   19.883  232.439   6.3084  229.182   6.4020 3.256561 8.987895 
1 1 1    9    2   56 o  141.151   4.4332  135.372   8.4784  138.146   11.985  132.594   11.995  142.603   6.2020  139.700   6.3363 2.902969 8.866453 
1 1 1    9    2   57 o  238.186   4.5557  385.536   14.705  384.443   20.760  386.636   20.831  237.848   6.4408  238.525   6.4446 -0.6768799 9.111346 
1 1 1    9    2   58 o  358.952   6.5096  865.110   29.623  916.517   52.779  841.469   35.792  366.239   10.634  351.664   7.5105 14.57486 13.01920 
1 1 1    9    2   59 o  229.289   5.6777  359.535   16.554  353.591   28.801  362.468   20.230  227.665   9.3355  230.913   6.4650 -3.248398 11.35547 
1 1 1    9    2   60 o  267.039   4.7583  484.968   17.219  484.899   24.375  485.037   24.328  267.019   6.7363  267.059   6.7223 -0.4000854E-01 9.516685 
1 1 1    9    2   61 o  184.073   6.5115  230.415   16.242  230.415   16.242   0.0000   0.0000  184.073   6.5115  ?   ?       ?      ? 
1 1 1    9    2   62 o  261.165   5.7907  465.060   19.357  464.626   33.376  465.280   23.761  260.814   9.4432  261.517   6.7047 -0.7028503 11.58130 
1 1 1    9    2   63 o  151.003   4.6473  155.109   9.5078  159.527   13.542  150.814   13.353  153.127   6.5258  148.878   6.6184 4.249176 9.294563 
1 1 1    9    2   64 o  273.191   4.8474  506.680   17.910  553.597   26.053  464.641   24.662  285.169   6.7418  261.213   6.9670 23.95581 9.694899 
1 1 1    9    2   65 o  272.263   4.8692  504.889   17.963  515.466   25.526  494.512   25.283  275.096   6.8472  269.431   6.9247 5.665405 9.738333 
1 1 1    9    2   66 o  156.121   4.7139  166.047   9.9727  165.598   14.038  166.505   14.170  155.911   6.6442  156.331   6.6888 -0.4208679 9.427888 
1 1 1    9    2   67 o  174.368   9.5292  208.559   22.517   0.0000   0.0000  208.559   22.517  ?   ?   174.368   9.5292      ?      ? 
1 1 1    9    2   68 o  198.437   9.2694  270.287   24.926   0.0000   0.0000  270.287   24.926  ?   ?   198.437   9.2694      ?      ? 
1 1 1    9    2   69 o  157.227   5.6759  165.661   11.429  158.545   13.903  180.496   20.073  152.384   6.7326  162.071   9.1397 -9.687103 11.35173 
1 1 1    9    2   70 o   33.844   8.3236   4.7002   5.4102  -3.3437   7.5000   13.427   7.8119   24.308   10.921   43.380   12.565 -19.07213 16.64711 
1 1 1    9    2   71 o  286.079   10.027  566.348   38.873   0.0000   0.0000  566.348   38.873  ?   ?   286.079   10.027      ?      ? 
1 1 1    9    2   72 o   86.072   8.1671   56.280   8.2922   42.230   14.224   63.512   10.206   76.025   14.332   96.119   7.8353 -20.09385 16.33416 
1 1 1    9    2   73 o  119.666   6.1470   96.664   9.3626  105.763   16.651   92.457   11.322  123.317   9.9641  116.015   7.2015 7.301620 12.29405 
1 1 1    9    2   74 o  110.088   5.3051   84.067   7.8098   68.208   10.985  100.277   11.106   99.349   8.1591  120.826   6.7827 -21.47639 10.61020 
1 1 1    9    2   75 f   86.406   5.8224   51.732   6.8172   52.577   9.6781   50.900   9.6041   87.115   8.1981   85.698   8.2700 1.417198 11.64485 
1 1 1    9    2   76 o   42.716   8.6286   14.092   6.0838   0.7944   10.366   21.078   7.5138   31.641   13.552   53.790   10.685 -22.14899 17.25729 
1 1 1    9    2   77 o  104.745   6.4194   76.612   8.5961   77.727   14.870   76.052   10.535  104.739   10.476  104.751   7.4214 -0.1129150E-01 12.83872 
1 1 1    9    2   78 o  130.818   4.9222  118.509   8.7197  112.479   12.211  124.784   12.456  127.377   7.0743  134.259   6.8461 -6.882568 9.844501 
1 1 1    9    2   79 o   85.650   5.8183   51.469   6.7405   47.748   9.4997   55.243   9.5656   82.432   8.5041   88.869   7.9430 -6.436523 11.63661 
1 1 1    9    2   80 o   47.746   8.6071   17.353   5.5916   16.342   7.9779   18.329   7.8395   46.306   12.446   49.186   11.892 -2.880344 17.21426 
1 1 1    9    2   81 o  103.297   6.5582   73.461   8.7206   68.049   10.619   84.675   15.284   98.329   7.9689  108.264   10.418 -9.934395 13.11636 
1 1 1    9    2   82 o   28.487   8.5136   1.3526   5.8650   5.2135   7.1731  -6.4340   10.187   30.872   11.982   26.102   12.098 4.769562 17.02727 
1 1 1    9    2   83 o   78.162   7.4866   41.166   7.5972   32.743   9.2688   58.410   13.262   67.135   10.188   89.189   10.973 -22.05322 14.97319 
1 1 1    9    2   84 o   58.712   8.1998   26.335   6.3519   23.158   9.3664   29.041   8.6429   54.284   12.919   63.139   10.101 -8.855049 16.39954 
1 1 1    9    2   85 o   50.407   10.824   20.946   8.5096   28.484   11.774   12.700   12.313   58.992   14.763   41.821   15.832 17.17107 21.64704 
1 1 1    9    2   86 o   73.939   10.074   40.139   10.094   0.0000   0.0000   40.139   10.094  ?   ?    73.939   10.074      ?      ? 
1 1 1    9    2   87 o   73.674   9.3126   44.414   8.3684   37.745   14.310   47.880   10.316   66.390   16.077   80.958   9.4033 -14.56856 18.62521 
1 1 1    9    2   88 o   41.732   9.4810   13.889   6.0998   11.633   8.2831   16.563   9.0162   38.583   13.185   44.880   13.627 -6.297779 18.96206 
1 1 1    9    2   89 o   26.261   8.3319  -2.6228   6.5181 -12.3295   10.709   3.0891   8.2150   23.465   11.310   29.058   12.238 -5.592848 16.66372 
1 1 1    9    2   90 o   89.329   8.2047   62.315   9.2101   62.213   16.145   62.365   11.214   86.907   13.709   91.751   9.0191 -4.844177 16.40936 
1 1 1    9    2   91 o   55.965   9.7105   30.228   8.1385   14.111   13.689   39.039   10.122   40.837   16.334   71.092   10.506 -30.25570 19.42102 
1 1 1    9    2   92 o   42.932   10.682   15.599   7.4567   23.570   12.734   11.439   9.1988   48.852   16.350   37.011   13.751 11.84158 21.36400 
1 1 1    9    2   93 o   28.510   9.3173  -1.7551   8.4552  -2.5331   11.905  -0.9631   12.011   28.069   13.034   28.951   13.318 -0.8817482 18.63453 
1 1 1    9    3    0 o  458.109   8.3095  1423.76   51.561  1442.64   74.256  1406.18   71.650  461.032   11.886  455.186   11.616 5.846069 16.61896 
1 1 1    9    3    1 o  606.195   10.294  2495.16   84.527  2538.57  121.585  2454.55  117.594  611.282   14.678  601.107   14.436 10.17548 20.58727 
1 1 1    9    3    2 o  553.502   13.632  2080.77  102.247  2080.77  102.247   0.0000   0.0000  553.502   13.632  ?   ?       ?      ? 
1 1 1    9    3    3 o  535.602   8.1213  1941.88   55.405  1962.55   96.781  1931.81   67.573  537.558   13.286  533.646   9.3441 3.911377 16.24260 
1 1 1    9    3    4 o  448.628   8.2897  1365.84   50.388  1342.34   70.456  1390.45   72.091  444.680   11.692  452.575   11.755 -7.895203 16.57936 
1 1 1    9    3    5 o  273.079   6.3169  505.445   23.359  533.846   33.513  478.612   32.576  280.538   8.8154  265.621   9.0501 14.91699 12.63389 
1 1 1    9    3    6 o  377.295   7.4188  966.039   37.929  979.995   53.850  952.297   53.433  380.001   10.457  374.589   10.526 5.412537 14.83762 
1 1 1    9    3    7 o  393.815   7.6117  1052.62   40.619  1045.09   57.097  1060.33   57.798  392.391   10.738  395.238   10.791 -2.846924 15.22336 
1 1 1    9    3    8 o  230.034   5.0459  355.446   14.685  368.212   26.146  349.563   17.749  232.992   8.2810  227.077   5.7679 5.914322 10.09179 
1 1 1    9    3    9 o  229.710   5.0432  354.945   14.669  365.849   26.044  349.878   17.753  232.241   8.2754  227.179   5.7666 5.062378 10.08642 
1 1 1    9    3   10 o  148.205   3.6572  148.939   7.3422  153.160   10.359  144.678   10.408  150.316   5.0854  146.093   5.2572 4.223160 7.314379 
1 1 1    9    3   11 o  388.524   5.2627  1022.73   27.696  989.125   38.483  1058.83   39.890  381.911   7.4357  395.138   7.4495 -13.22702 10.52548 
1 1 1    9    3   12 f  534.891   6.6037  1937.45   47.821  2035.51   69.449  1849.03   65.945  547.735   9.3564  522.046   9.3217 25.68988 13.20743 
1 1 1    9    3   13 o  331.566   4.7990  744.799   21.554  722.182   29.989  768.969   31.001  326.363   6.7807  336.768   6.7930 -10.40549 9.598079 
1 1 1    9    3   14 o  238.286   4.1333  384.911   13.343  396.893   18.940  373.103   18.801  241.969   5.7760  234.603   5.9139 7.366531 8.266580 
1 1 1    9    3   15 o  474.784   6.0379  1527.81   38.835  1489.77   54.068  1568.36   55.815  468.683   8.5129  480.884   8.5650 -12.20126 12.07589 
1 1 1    9    3   16 o  630.749   7.5236  2698.21   64.294  2760.38   92.045  2638.97   89.847  637.841   10.649  623.658   10.631 14.18280 15.04717 
1 1 1    9    3   17 o  280.733   4.4370  534.208   16.877  546.606   23.959  521.997   23.778  283.967   6.2262  277.500   6.3231 6.467651 8.873955 
1 1 1    9    3   18 o  689.767   8.1263  3227.96   75.958  3247.72  107.721  3208.42  107.124  691.867   11.489  687.667   11.495 4.200256 16.25266 
1 1 1    9    3   19 o  855.201   9.7848  4960.76  113.352  5103.47  163.097  4827.41  157.651  867.085   13.880  843.317   13.795 23.76801 19.56955 
1 1 1    9    3   20 o  438.249   7.0550  1294.59   39.201  1280.35   47.535  1324.88   69.308  434.571   8.0718  441.927   11.573 -7.356293 14.11001 
1 1 1    9    3   21 o  584.542   8.7076  2310.31   64.702  2295.54   78.735  2341.02  113.546  581.806   9.9864  587.277   14.267 -5.471313 17.41520 
1 1 1    9    3   22 o  639.742   9.2977  2751.65   75.659  2850.68  133.313  2704.59   91.891  647.999   15.182  631.484   10.738 16.51465 18.59530 
1 1 1    9    3   23 o  309.011   5.6322  625.833   22.159  709.464   39.730  588.069   26.698  323.474   9.0636  294.548   6.6886 28.92566 11.26436 
1 1 1    9    3   24 o  507.757   8.9626  1745.62   61.605  1665.27   84.831  1835.28   89.610  495.422   12.636  520.092   12.714 -24.67020 17.92515 
1 1 1    9    3   25 o  468.000   7.3436  1495.70   44.090  1518.07   54.440  1453.07   75.164  473.191   8.4899  462.809   11.985 10.38193 14.68711 
1 1 1    9    3   26 o  324.912   5.9007  713.101   24.534  723.674   42.510  707.820   30.042  326.679   9.6025  323.144   6.8605 3.534821 11.80146 
1 1 1    9    3   27 o  445.260   11.621  1344.95   70.119  1344.95   70.119   0.0000   0.0000  445.260   11.621  ?   ?       ?      ? 
1 1 1    9    3   28 o  453.863   5.8989  1395.56   36.266  1448.48   52.088  1345.77   50.524  462.208   8.3161  445.518   8.3685 16.69064 11.79785 
1 1 1    9    3   29 o  569.686   6.9646  2200.45   53.758  2248.94   76.787  2153.83   75.286  575.840   9.8402  563.531   9.8585 12.30896 13.92910 
1 1 1    9    3   30 o  475.694   7.4623  1543.09   45.476  1560.10   56.011  1510.21   77.898  479.653   8.6171  471.735   12.185 7.918243 14.92450 
1 1 1    9    3   31 o  334.683   6.0410  768.270   25.905  787.181   32.027  732.490   44.054  340.755   6.9358  328.611   9.8929 12.14340 12.08203 
1 1 1    9    3   32 o  666.005   11.191  3010.04  101.006  3010.04  101.006   0.0000   0.0000  666.005   11.191  ?   ?       ?      ? 
1 1 1    9    3   33 o  822.831   13.405  4598.32  149.475  4598.32  149.475   0.0000   0.0000  822.831   13.405  ?   ?       ?      ? 
1 1 1    9    3   34 o  793.610   9.1950  4275.58   98.864  4194.66  137.964  4360.99  141.741  785.902   12.954  801.318   13.053 -15.41583 18.39006 
1 1 1    9    3   35 o  589.207   7.1936  2352.37   57.395  2460.68   83.036  2253.28   79.423  602.175   10.176  576.239   10.171 25.93542 14.38721 
1 1 1    9    3   36 o  368.165   7.3569  919.203   36.705  919.203   36.705   0.0000   0.0000  368.165   7.3569  ?   ?       ?      ? 
1 1 1    9    3   37 f  244.190   4.3900  404.291   14.524  404.083   20.330  404.508   20.756  244.128   6.1453  244.253   6.2708 -0.1249847 8.779942 
1 1 1    9    3   38 o  308.886   5.9056  649.968   23.199  655.058   28.345  639.639   40.377  310.797   6.7301  306.974   9.7061 3.822266 11.81112 
1 1 1    9    3   39 o  530.989   6.6595  1913.83   47.917  1938.66   68.035  1889.39   67.498  534.409   9.3945  527.569   9.4412 6.840271 13.31892 
1 1 1    9    3   40 o  475.540   8.6710  1534.90   55.878  1534.90   55.878   0.0000   0.0000  475.540   8.6710  ?   ?       ?      ? 
1 1 1    9    3   41 o  575.964   7.0828  2252.52   55.271  2306.71   79.090  2200.79   77.270  582.732   10.015  569.195   10.018 13.53711 14.16563 
1 1 1    9    3   42 o  336.742   6.0950  759.493   26.217  800.887   45.997  739.576   31.907  343.337   9.8861  330.148   7.1317 13.18921 12.18999 
1 1 1    9    3   43 o  194.003   6.0583  255.300   15.927   0.0000   0.0000  255.300   15.927  ?   ?   194.003   6.0583      ?      ? 
1 1 1    9    3   44 o  240.859   5.5096  397.833   16.969  381.689   29.021  406.221   20.917  237.025   9.0350  244.692   6.3082 -7.666901 11.01930 
1 1 1    9    3   45 o  551.690   9.7051  2069.19   72.557  2069.19   72.557   0.0000   0.0000  551.690   9.7051  ?   ?       ?      ? 
1 1 1    9    3   46 o  572.033   7.0733  2225.20   54.825  2264.23   78.182  2187.45   76.902  576.967   9.9994  567.099   10.007 9.867920 14.14655 
1 1 1    9    3   47 f  371.858   5.3262  938.911   26.837  924.908   37.612  953.435   38.304  369.036   7.5209  374.681   7.5439 -5.645264 10.65243 
1 1 1    9    3   48 o  194.844   4.3213  257.720   11.405  266.173   16.133  249.275   16.127  198.044   6.0113  191.644   6.2096 6.399887 8.642636 
1 1 1    9    3   49 f  116.796   5.4835   90.858   8.1488   87.563   9.8585   97.965   14.478  113.571   6.4056  120.021   8.9018 -6.449471 10.96692 
1 1 1    9    3   50 o  367.199   5.3209  916.119   26.475  932.792   37.593  899.714   37.291  370.518   7.4872  363.879   7.5624 6.638855 10.64179 
1 1 1    9    3   51 o  341.309   7.2561  791.514   33.561  791.514   33.561   0.0000   0.0000  341.309   7.2561  ?   ?       ?      ? 
1 1 1    9    3   52 o  406.997   5.6457  1126.36   31.137  1138.03   44.153  1114.82   43.918  409.098   7.9644  404.897   8.0041 4.200073 11.29146 
1 1 1    9    3   53 o  316.731   7.0136  681.717   30.104  681.717   30.104   0.0000   0.0000  316.731   7.0136  ?   ?       ?      ? 
1 1 1    9    3   54 o  247.984   5.5739  408.706   17.581  391.610   21.239  445.914   31.334  240.088   6.5281  255.881   9.0365 -15.79303 11.14786 
1 1 1    9    3   55 o  272.026   5.7423  494.593   19.852  478.516   24.012  529.317   35.288  265.357   6.6776  278.694   9.3437 -13.33740 11.48457 
1 1 1    9    3   56 o  281.159   4.7846  536.640   18.211  571.707   26.233  504.018   25.302  290.026   6.6746  272.292   6.8570 17.73334 9.569213 
1 1 1    9    3   57 o  147.923   4.4854  148.681   8.9907  146.686   12.638  150.724   12.793  146.919   6.3477  148.928   6.3388 -2.009140 8.970747 
1 1 1    9    3   58 o  179.778   4.4384  219.658   10.813  218.090   15.301  221.223   15.282  179.135   6.3032  180.421   6.2504 -1.286743 8.876812 
1 1 1    9    3   60 o  129.945   6.6584  114.839   11.725   0.0000   0.0000  114.839   11.725  ?   ?   129.945   6.6584      ?      ? 
1 1 1    9    3   61 o  301.303   7.0080  617.788   28.614  617.788   28.614   0.0000   0.0000  301.303   7.0080  ?   ?       ?      ? 
1 1 1    9    3   62 o  190.450   4.5543  246.491   11.748  256.419   16.896  237.198   16.347  194.162   6.4215  186.739   6.4599 7.423111 9.108541 
1 1 1    9    3   63 o   66.340   6.6500   30.001   5.9445   34.675   8.6479   25.814   8.1847   71.253   8.9562   61.428   9.8323 9.824978 13.29994 
1 1 1    9    3   64 o  141.585   4.7317  136.484   9.0785  136.553   12.854  136.415   12.824  141.621   6.6976  141.550   6.6856 0.7060242E-01 9.463354 
1 1 1    9    3   65 o  190.543   9.3102  248.509   24.040   0.0000   0.0000  248.509   24.040  ?   ?   190.543   9.3102      ?      ? 
1 1 1    9    3   66 o  218.539   6.6545  325.457   19.707   0.0000   0.0000  325.457   19.707  ?   ?   218.539   6.6545      ?      ? 
1 1 1    9    3   67 o  267.050   6.9138  486.538   25.020   0.0000   0.0000  486.538   25.020  ?   ?   267.050   6.9138      ?      ? 
1 1 1    9    3   68 o  150.229   9.4101  155.090   19.157   0.0000   0.0000  155.090   19.157  ?   ?   150.229   9.4101      ?      ? 
1 1 1    9    3   69 o  162.557   5.8254  182.962   12.088  175.886   20.729  186.608   14.881  159.812   9.5715  165.303   6.6430 -5.491013 11.65088 
1 1 1    9    3   70 o  111.801   6.1841   85.109   8.9231   83.157   10.995   88.877   15.273  110.187   7.3633  113.415   9.9374 -3.228065 12.36811 
1 1 1    9    3   71 o  150.714   4.7495  155.540   9.6890  146.465   13.664  164.719   13.741  146.249   6.8943  155.178   6.5346 -8.929214 9.499063 
1 1 1    9    3   72 o   90.803   5.5724   56.745   6.8558   56.034   9.7390   57.443   9.6526   90.224   7.9654   91.382   7.7947 -1.157745 11.14475 
1 1 1    9    3   73 o   92.722   5.5280   59.129   6.9268   65.542   10.027   53.275   9.5804   97.567   7.5836   87.876   8.0450 9.690369 11.05593 
1 1 1    9    3   74 o   45.490   12.251   15.185   7.7212   0.0000   0.0000   15.185   7.7212  ?   ?    45.490   12.251      ?      ? 
1 1 1    9    3   75 o   67.697   9.0982   31.956   8.3466   0.0000   0.0000   31.956   8.3466  ?   ?    67.697   9.0982      ?      ? 
1 1 1    9    3   76 o   64.898   6.7413   29.568   5.9256   28.742   8.4230   30.377   8.3377   63.956   9.7185   65.839   9.3451 -1.882217 13.48258 
1 1 1    9    3   77 o   70.410   6.4811   34.858   6.1412   29.869   8.5675   40.130   8.8073   65.068   9.7164   75.752   8.5796 -10.68356 12.96218 
1 1 1    9    3   78 o   35.552   8.7047   8.2001   5.2890   4.5494   7.4350   11.940   7.5255   30.811   12.129   40.294   12.489 -9.483076 17.40947 
1 1 1    9    3   79 o   61.285   8.9021   31.398   6.9394   38.836   8.6516   17.981   11.620   74.255   8.5978   48.316   15.591 25.93903 17.80417 
1 1 1    9    3   80 o   56.363   8.0964   23.934   5.9699   26.413   8.3706   21.367   8.5168   59.717   10.739   53.010   12.120 6.706924 16.19286 
1 1 1    9    3   81 o   66.463   6.8706   31.701   6.1873   32.145   8.8378   31.274   8.6651   66.908   9.7474   66.019   9.6855 0.8887100 13.74122 
1 1 1    9    3   82 o   51.725   8.2503   20.584   5.7046   15.450   8.0560   25.747   8.0792   44.663   12.705   58.786   10.528 -14.12226 16.50060 
1 1 1    9    3   83 o  141.923   6.2225  143.017   11.226  141.148   13.676  146.876   19.652  141.795   7.1176  142.052   10.209 -0.2567291 12.44504 
1 1 1    9    3   84 o  100.922   7.1367   75.139   9.1056   76.941   11.167   71.563   15.729  104.135   7.9135   97.710   11.879 6.424652 14.27339 
1 1 1    9    3   85 o   63.578   7.6540   30.354   6.4233   32.543   8.9747   28.055   9.1972   66.741   9.9230   60.414   11.656 6.326618 15.30804 
1 1 1    9    3   86 o   58.405   8.4496   26.556   6.4551   26.258   8.8950   26.887   9.3821   58.214   11.682   58.596   12.211 -0.3824158 16.89922 
1 1 1    9    3   87 o   54.549   9.3905   26.554   7.5195   12.001   12.528   34.749   9.4012   40.614   15.815   68.483   10.130 -27.86911 18.78096 
1 1 1    9    3   88 o   65.426   15.542   36.910   13.576   0.0000   0.0000   36.910   13.576  ?   ?    65.426   15.542      ?      ? 
1 1 1    9    3   89 o   91.340   8.0959   66.519   9.3657   56.503   15.369   72.436   11.812   83.344   13.608   99.336   8.7751 -15.99274 16.19177 
1 1 1    9    3   90 o   25.065   8.2817  -4.9074   6.4938  -3.5880   11.341  -5.5511   7.9209   27.901   12.873   22.229   10.423 5.672285 16.56349 
1 1 1    9    3   91 o   42.504   11.036   15.787   8.9162   7.3189   12.881   23.577   12.354   35.337   15.120   49.670   16.081 -14.33290 22.07265 
1 1 1    9    3   92 f   68.800   10.916   44.915   10.424   30.304   14.713   59.639   14.771   53.578   17.561   84.023   12.973 -30.44529 21.83279 
1 1 1    9    3   93 o   34.426   10.089   5.5289   8.7397  -8.0907   12.530   18.431   12.196   26.130   12.499   42.722   15.841 -16.59216 20.17890 
1 1 1    9    4    0 o  480.845   8.6463  1568.38   56.340   0.0000   0.0000  1568.38   56.340  ?   ?   480.845   8.6463      ?      ? 
1 1 1    9    4    1 o  443.431   7.1125  1315.25   39.847  1386.90   71.419  1282.87   48.015  451.956   11.661  434.906   8.1470 17.04959 14.22500 
1 1 1    9    4    2 o  345.930   6.1102  807.343   26.780  824.190   47.384  799.436   32.461  348.498   10.033  343.362   6.9763 5.135620 12.22040 
1 1 1    9    4    3 o  222.600   5.9828  335.883   18.041  325.060   25.150  347.355   25.894  218.908   8.4780  226.292   8.4439 -7.383850 11.96559 
1 1 1    9    4    4 o  426.527   6.9361  1230.53   37.612  1246.12   65.976  1223.02   45.781  428.412   11.364  424.642   7.9557 3.770172 13.87220 
1 1 1    9    4    5 o  488.582   8.8322  1621.44   58.477  1625.30   82.660  1617.57   82.739  489.166   12.470  487.997   12.512 1.168701 17.66439 
1 1 1    9    4    6 o  410.416   7.8591  1143.22   43.704  1124.44   61.184  1162.79   62.448  406.976   11.094  413.855   11.135 -6.878418 15.71824 
1 1 1    9    4    7 o  464.582   8.5245  1465.73   53.666  1459.55   75.570  1472.02   76.225  463.597   12.029  465.567   12.082 -1.970551 17.04897 
1 1 1    9    4    8 o  736.181   12.215  3688.39  121.845  3746.11  173.748  3632.54  170.917  741.846   17.283  730.517   17.265 11.32898 24.42936 
1 1 1    9    4    9 o  583.574   10.089  2314.06   79.779  2282.31  111.718  2347.10  113.964  579.495   14.226  587.653   14.311 -8.157715 20.17882 
1 1 1    9    4   10 o  485.185   7.5958  1614.37   47.268  1545.17   80.293  1651.07   58.474  477.008   12.421  493.362   8.7460 -16.35391 15.19155 
1 1 1    9    4   11 o  421.312   5.5694  1203.59   31.796  1222.95   45.228  1184.68   44.708  424.662   7.8593  417.962   7.8935 6.700226 11.13889 
1 1 1    9    4   12 o  220.677   4.0520  329.968   12.115  323.113   16.924  337.174   17.350  218.327   5.7201  223.027   5.7407 -4.699615 8.104055 
1 1 1    9    4   13 o  515.160   6.4234  1799.18   44.832  1847.62   64.183  1753.03   62.650  521.928   9.0745  508.392   9.0937 13.53674 12.84687 
1 1 1    9    4   14 o  799.912   9.2313  4342.48  100.048  4271.45  139.853  4416.94  143.184  793.219   13.011  806.604   13.099 -13.38562 18.46264 
1 1 1    9    4   15 o  517.211   6.4467  1812.49   45.164  1880.07   64.991  1749.38   62.806  526.526   9.1086  507.896   9.1253 18.63068 12.89335 
1 1 1    9    4   16 o  599.596   7.2245  2438.25   58.698  2418.51   82.448  2458.54   83.586  597.138   10.189  602.055   10.245 -4.917725 14.44896 
1 1 1    9    4   17 o  517.581   6.4600  1815.55   45.298  1867.25   64.931  1766.54   63.224  524.755   9.1309  510.407   9.1407 14.34763 12.91998 
1 1 1    9    4   18 o  597.899   8.7974  2405.40   67.054  2484.58  117.558  2367.22   81.636  604.997   14.339  590.802   10.197 14.19501 17.59477 
1 1 1    9    4   19 o  735.905   10.464  3631.52   97.710  3803.34  173.426  3551.61  118.268  748.268   17.103  723.541   12.062 24.72656 20.92867 
1 1 1    9    4   20 o  468.127   6.0067  1485.76   38.105  1496.79   53.915  1474.75   53.861  469.864   8.4675  466.389   8.5220 3.474121 12.01346 
1 1 1    9    4   21 o  648.635   9.4954  2849.33   78.358  2838.55   95.491  2871.56  137.100  646.927   10.892  650.342   15.557 -3.414551 18.99077 
1 1 1    9    4   22 o  586.268   8.7821  2346.37   65.822  2376.36   80.937  2287.81  113.113  591.963   10.090  580.574   14.377 11.38831 17.56422 
1 1 1    9    4   23 o  368.743   5.1695  920.989   25.821  896.534   35.883  947.249   37.184  363.672   7.2811  373.815   7.3403 -10.14322 10.33896 
1 1 1    9    4   24 o  737.584   8.6173  3687.04   86.083  3576.14  119.308  3807.46  124.326  726.032   12.126  749.136   12.247 -23.10461 17.23458 
1 1 1    9    4   25 o  286.450   4.5726  555.899   17.744  545.245   24.725  567.215   25.481  283.622   6.4329  289.278   6.5002 -5.656525 9.145203 
1 1 1    9    4   26 o  445.889   11.610  1348.80   70.153   0.0000   0.0000  1348.80   70.153  ?   ?   445.889   11.610      ?      ? 
1 1 1    9    4   27 o  689.728   11.523  3221.68  107.532  3046.70  147.155  3422.19  157.521  669.702   16.215  709.754   16.378 -40.05176 23.04651 
1 1 1    9    4   28 o  505.342   9.0957  1731.79   62.288   0.0000   0.0000  1731.79   62.288  ?   ?   505.342   9.0957      ?      ? 
1 1 1    9    4   29 o  541.221   13.392  1988.65   98.221   0.0000   0.0000  1988.65   98.221  ?   ?   541.221   13.392      ?      ? 
1 1 1    9    4   30 f  436.317   5.7704  1290.90   34.117  1290.20   47.977  1291.62   48.524  436.199   8.1164  436.435   8.2045 -0.2357483 11.54084 
1 1 1    9    4   31 o  341.418   5.0095  788.277   23.147  746.842   31.793  835.017   33.766  331.896   7.0687  350.941   7.1001 -19.04501 10.01892 
1 1 1    9    4   32 o  392.597   5.4080  1044.51   28.761  1020.68   40.025  1069.96   41.357  387.970   7.6129  397.224   7.6831 -9.253448 10.81599 
1 1 1    9    4   33 o  842.446   9.7297  4819.76  111.056  4924.72  158.903  4719.54  155.273  851.407   13.772  833.485   13.747 17.92139 19.45940 
1 1 1    9    4   34 o  395.338   7.6882  1059.92   41.188  1059.92   41.188   0.0000   0.0000  395.338   7.6882  ?   ?       ?      ? 
1 1 1    9    4   35 o  153.656   4.1288  160.100   8.5906  161.083   11.940  159.046   12.370  154.146   5.7157  153.165   5.9597 0.9816589 8.257565 
1 1 1    9    4   36 o  235.662   4.3511  375.723   13.880  354.641   19.138  399.114   20.159  228.703   6.1752  242.620   6.1314 -13.91782 8.702124 
1 1 1    9    4   37 o  331.258   6.9780  744.211   31.324  744.211   31.324   0.0000   0.0000  331.258   6.9780  ?   ?       ?      ? 
1 1 1    9    4   38 o  164.120   4.1571  182.130   9.2326  171.232   12.683  194.413   13.466  158.912   5.8897  169.327   5.8684 -10.41568 8.314223 
1 1 1    9    4   39 o  263.743   5.5888  472.346   18.727  472.985   22.822  471.030   32.768  264.083   6.3771  263.403   9.1800 0.6802979 11.17769 
1 1 1    9    4   40 o  279.781   9.1574  531.522   34.720  531.522   34.720   0.0000   0.0000  279.781   9.1574  ?   ?       ?      ? 
1 1 1    9    4   41 o  427.002   5.7511  1237.67   33.277  1252.75   47.186  1222.76   46.937  429.591   8.1055  424.413   8.1611 5.178711 11.50225 
1 1 1    9    4   42 o  339.617   5.0573  782.742   23.272  797.348   32.973  768.243   32.852  342.778   7.0985  336.456   7.2052 6.321991 10.11452 
1 1 1    9    4   43 o  282.379   6.6834  541.080   25.575   0.0000   0.0000  541.080   25.575  ?   ?   282.379   6.6834      ?      ? 
1 1 1    9    4   44 o  427.126   5.7980  1238.42   33.550  1208.04   46.789  1270.57   48.134  421.739   8.1869  432.513   8.2124 -10.77332 11.59609 
1 1 1    9    4   45 o  273.082   5.6437  490.704   19.588  551.725   35.183  463.292   23.581  284.900   9.1130  261.265   6.6604 23.63522 11.28748 
1 1 1    9    4   46 o  162.977   5.1266  174.595   10.686  163.906   12.931  197.615   18.977  155.412   6.1400  170.542   8.2114 -15.13028 10.25317 
1 1 1    9    4   47 o  320.115   6.1712  717.470   25.371  770.564   31.920  626.370   41.811  336.870   6.9922  303.359   10.171 33.51175 12.34248 
1 1 1    9    4   48 o  253.714   4.5595  436.958   15.671  452.656   22.295  421.628   22.032  258.224   6.3712  249.205   6.5240 9.018860 9.118938 
1 1 1    9    4   49 o  229.182   4.4527  356.639   13.826  365.410   19.558  347.878   19.547  232.005   6.2208  226.360   6.3724 5.644653 8.905439 
1 1 1    9    4   50 o  277.052   4.7070  521.097   17.668  510.909   24.687  531.795   25.298  274.278   6.6419  279.825   6.6715 -5.547180 9.414003 
1 1 1    9    4   51 o  258.624   4.6129  454.168   16.165  446.105   22.660  462.524   23.067  256.287   6.5246  260.961   6.5228 -4.673950 9.225842 
1 1 1    9    4   52 o  301.787   6.8688  618.820   28.091  618.820   28.091   0.0000   0.0000  301.787   6.8688  ?   ?       ?      ? 
1 1 1    9    4   53 o  175.103   6.2224  208.252   14.765  208.252   14.765   0.0000   0.0000  175.103   6.2224  ?   ?       ?      ? 
1 1 1    9    4   54 o  220.382   4.4890  329.903   13.405  326.517   18.794  333.409   19.125  219.233   6.3260  221.530   6.3707 -2.297577 8.977948 
1 1 1    9    4   55 o  186.758   5.5806  246.953   13.204  268.508   16.461  208.053   22.113  198.811   6.1097  174.704   9.3405 24.10736 11.16124 
1 1 1    9    4   56 o  202.793   5.4375  276.999   14.073  271.540   17.139  288.296   24.655  199.898   6.3268  205.688   8.8452 -5.789993 10.87501 
1 1 1    9    4   57 o   91.031   6.2220   56.716   7.3029   55.700   12.349   57.263   9.0564   90.317   10.089   91.745   7.2843 -1.428192 12.44409 
1 1 1    9    4   58 o  244.911   9.2102  409.166   30.567  409.166   30.567   0.0000   0.0000  244.911   9.2102  ?   ?       ?      ? 
1 1 1    9    4   59 o  325.444   5.1279  720.714   22.613  735.427   32.137  706.287   31.823  328.740   7.2139  322.147   7.2897 6.593384 10.25575 
1 1 1    9    4   60 o  274.331   4.8537  511.992   18.043  518.604   25.609  505.475   25.426  276.093   6.8447  272.569   6.8836 3.523407 9.707414 
1 1 1    9    4   61 o  300.828   6.0688  592.018   23.065  687.214   42.158  551.347   27.555  317.068   9.8116  284.588   7.1451 32.47946 12.13755 
1 1 1    9    4   62 o  147.305   6.6789  147.668   13.332  147.668   13.332   0.0000   0.0000  147.305   6.6789  ?   ?       ?      ? 
1 1 1    9    4   63 o  221.699   5.7486  340.415   16.273  351.254   20.098  319.781   27.730  227.174   6.5284  216.224   9.4639 10.94952 11.49716 
1 1 1    9    4   64 o  112.266   6.2505   84.281   9.0388   80.367   11.054   92.177   15.701  108.557   7.5143  115.974   9.9904 -7.417030 12.50091 
1 1 1    9    4   65 o  179.967   5.6763  212.862   13.029  245.889   23.350  197.930   15.701  189.516   9.0919  170.419   6.7985 19.09636 11.35265 
1 1 1    9    4   66 o  125.226   4.9590  107.118   8.4018  100.481   11.913  113.686   11.851  121.334   7.2453  129.119   6.7730 -7.785736 9.918091 
1 1 1    9    4   67 o   78.728   6.1650   43.089   6.4527   33.883   9.1878   52.048   9.0644   70.209   9.6569   87.248   7.6666 -17.03851 12.33008 
1 1 1    9    4   68 o   74.798   6.2049   38.270   6.2777   41.091   9.2126   35.825   8.5773   77.360   8.7878   72.235   8.7623 5.124741 12.40983 
1 1 1    9    4   69 o  128.664   4.9500  113.137   8.6241  119.501   12.374  107.126   12.026  132.196   6.9074  125.133   7.0920 7.062782 9.899917 
1 1 1    9    4   70 o   77.642   6.2369   41.442   6.5535   44.496   9.5008   38.669   9.0517   80.380   8.7222   74.904   8.9175 5.475861 12.47390 
1 1 1    9    4   71 o   39.104   9.5054   10.166   6.1857   12.735   7.6988   5.4878   10.390   42.201   12.543   36.007   14.286 6.193951 19.01073 
1 1 1    9    4   72 o   70.606   8.0655   34.539   7.1654   38.426   12.400   32.590   8.7795   72.681   13.071   68.530   9.4537 4.150558 16.13106 
1 1 1    9    4   73 o   52.141   9.6616   20.386   6.6552   18.501   11.753   21.276   8.0745   50.231   15.614   54.051   11.383 -3.820236 19.32319 
1 1 1    9    4   74 o  106.831   5.2698   78.838   7.6236   76.539   10.877   81.058   10.688  105.253   7.6260  108.410   7.2753 -3.156578 10.53969 
1 1 1    9    4   75 f  113.344   6.5634   93.985   9.2590   78.282   15.886  102.064   11.395  105.047   11.159  121.641   6.9126 -16.59403 13.12677 
1 1 1    9    4   76 o   26.838   8.3162  -2.8257   5.5196   3.7299   9.6748  -5.9890   6.7206   32.981   13.532   20.696   9.6710 12.28501 16.63236 
1 1 1    9    4   77 o   62.032   8.8934   30.312   6.9321   34.383   8.5966   22.742   11.722   69.908   9.0743   54.155   15.298 15.75351 17.78678 
1 1 1    9    4   78 o  140.305   4.9850  136.925   9.4685  141.474   13.260  132.193   13.524  142.781   6.8533  137.829   7.2409 4.951920 9.969904 
1 1 1    9    4   79 o   47.379   8.4707   16.858   5.6512   10.570   7.8094   23.769   8.1882   38.275   12.804   56.484   11.093 -18.20883 16.94135 
1 1 1    9    4   80 o   90.642   5.8165   57.816   7.1351   54.604   9.8019   61.436   10.406   87.973   8.2221   93.310   8.2296 -5.337631 11.63308 
1 1 1    9    4   81 o  110.662   5.4012   86.125   8.0986   84.231   11.367   88.076   11.541  109.412   7.6668  111.912   7.6099 -2.500145 10.80235 
1 1 1    9    4   82 o   91.309   5.8745   59.218   7.2644   56.848   10.260   61.599   10.287   89.395   8.4696   93.223   8.1427 -3.828293 11.74898 
1 1 1    9    4   83 o   44.489   8.5746   14.994   5.7640   23.309   8.2762   7.1619   8.0323   55.244   11.432   33.735   12.783 21.50896 17.14925 
1 1 1    9    4   84 o  101.322   5.7825   73.025   7.9304   70.199   10.898   76.206   11.562   99.290   8.0996  103.354   8.2549 -4.064346 11.56495 
1 1 1    9    4   85 o   86.384   9.0634   57.420   10.255   47.482   14.012   68.880   15.047   77.102   13.923   95.666   11.607 -18.56461 18.12677 
1 1 1    9    4   86 o   56.323   10.004   25.401   7.4315   29.454   12.235   23.031   9.3550   59.128   15.189   53.518   13.023 5.609489 20.00751 
1 1 1    9    4   87 o   56.116   9.3613   27.323   7.3147   16.713   11.787   33.968   9.3281   44.690   15.706   67.541   10.192 -22.85070 18.72259 
1 1 1    9    4   88 o   41.103   9.8491   13.941   7.3338   3.0014   12.218   20.102   9.1692   33.074   14.437   49.133   13.401 -16.05880 19.69816 
1 1 1    9    4   89 o   49.241   16.684   22.558   13.261   0.0000   0.0000   22.558   13.261  ?   ?    49.241   16.684      ?      ? 
1 1 1    9    4   90 o   40.588   11.045   13.154   8.9682   5.9272   12.610   20.551   12.757   34.483   14.861   46.692   16.343 -12.20840 22.08927 
1 1 1    9    4   91 o   37.239   10.560   8.9066   8.8631  -1.6354   12.530   19.465   12.539   29.576   13.604   44.902   16.154 -15.32663 21.11935 
1 1 1    9    4   92 o   51.344   11.930   27.579   9.5959   28.168   13.831   27.032   13.324   51.676   17.031   51.012   16.711 0.6645241 23.85991 
1 1 1    9    5    0 o  311.185   4.6938  656.197   19.787  680.301   28.343  633.282   27.636  316.758   6.6030  305.613   6.6729 11.14456 9.387611 
1 1 1    9    5    1 o  364.070   5.1077  898.770   25.199  909.260   35.766  888.431   35.509  366.180   7.2077  361.960   7.2392 4.219727 10.21550 
1 1 1    9    5    2 o  328.925   4.8295  732.951   21.517  708.460   29.927  759.162   30.960  323.242   6.8320  334.609   6.8278 -11.36691 9.658939 
1 1 1    9    5    3 o  284.278   4.4866  547.856   17.280  563.096   24.559  532.912   24.319  288.195   6.2884  280.361   6.4010 7.833557 8.973120 
1 1 1    9    5    4 o  347.013   6.1818  821.875   27.321  801.944   47.314  831.845   33.464  343.769   10.156  350.257   7.0503 -6.487701 12.36361 
1 1 1    9    5    5 o  490.986   7.6732  1641.65   48.072  1619.69   83.177  1652.67   58.906  488.371   12.568  493.601   8.8065 -5.229736 15.34641 
1 1 1    9    5    6 o  259.771   5.3967  446.670   17.542  430.167   20.910  485.882   32.232  251.901   6.1254  267.641   8.8869 -15.74016 10.79337 
1 1 1    9    5    7 o  462.992   7.3611  1444.99   43.125  1428.20   52.191  1481.11   76.561  458.898   8.3927  467.086   12.096 -8.187775 14.72218 
1 1 1    9    5    8 f  484.014   7.5933  1583.34   46.584  1571.91   56.524  1607.52   82.246  481.427   8.6641  486.600   12.473 -5.173187 15.18665 
1 1 1    9    5    9 o  378.049   6.4736  961.393   30.898  947.750   37.295  991.244   55.169  373.876   7.3611  382.222   10.651 -8.345428 12.94727 
1 1 1    9    5   10 f  502.574   7.8178  1717.70   49.994  1725.23   61.058  1702.39   87.082  504.370   8.9333  500.777   12.832 3.592743 15.63554 
1 1 1    9    5   11 o  423.814   7.9570  1219.27   45.678  1248.89   64.182  1188.87   65.022  429.043   11.039  418.586   11.463 10.45749 15.91407 
1 1 1    9    5   12 o  655.823   11.033  2921.66   98.043  2943.45  138.147  2899.55  139.165  658.299   15.486  653.347   15.718 4.951477 22.06523 
1 1 1    9    5   13 o  436.571   6.9902  1304.19   39.430  1253.58   66.032  1332.23   49.156  429.866   11.335  443.276   8.1831 -13.40997 13.98046 
1 1 1    9    5   14 o  491.574   6.2313  1638.29   41.508  1660.61   59.048  1616.49   58.360  494.884   8.8048  488.264   8.8201 6.619354 12.46270 
1 1 1    9    5   15 o  474.431   6.0691  1525.96   39.017  1548.18   55.461  1504.18   54.901  477.851   8.5646  471.011   8.6013 6.840240 12.13818 
1 1 1    9    5   16 o  344.592   4.9707  804.694   23.208  792.823   32.466  817.098   33.187  341.995   7.0054  347.190   7.0537 -5.195313 9.941311 
1 1 1    9    5   17 o  712.226   11.863  3441.18  114.494   0.0000   0.0000  3441.18  114.494  ?   ?   712.226   11.863      ?      ? 
1 1 1    9    5   18 o  734.521   8.5739  3660.04   85.340  3644.57  120.193  3675.76  121.192  732.958   12.101  736.084   12.150 -3.125793 17.14779 
1 1 1    9    5   19 o  501.984   6.3372  1707.82   43.099  1675.55   60.158  1741.84   61.776  497.115   8.9300  506.852   8.9940 -9.736877 12.67431 
1 1 1    9    5   20 o  658.096   7.8183  2937.12   69.720  2979.55   99.219  2895.74   97.989  662.791   11.047  653.401   11.067 9.389160 15.63654 
1 1 1    9    5   21 o  758.818   12.562  3906.71  129.180   0.0000   0.0000  3906.71  129.180  ?   ?   758.818   12.562      ?      ? 
1 1 1    9    5   22 o  393.774   7.5841  1051.15   40.470  1051.15   40.470   0.0000   0.0000  393.774   7.5841  ?   ?       ?      ? 
1 1 1    9    5   23 o  891.705   12.540  5483.40  144.699  5691.27  181.569  5121.59  239.541  915.612   14.633  867.798   20.369 47.81360 25.08093 
1 1 1    9    5   24 o  776.523   12.808  4091.91  134.775   0.0000   0.0000  4091.91  134.775  ?   ?   776.523   12.808      ?      ? 
1 1 1    9    5   25 o  549.684   6.8056  2049.04   50.692  2038.76   71.270  2059.57   72.117  548.289   9.5921  551.078   9.6570 -2.788452 13.61127 
1 1 1    9    5   26 o  457.825   5.9531  1420.73   36.925  1398.31   51.539  1444.39   52.929  454.116   8.3751  461.534   8.4627 -7.418457 11.90625 
1 1 1    9    5   27 o  295.413   4.6779  591.651   18.722  607.680   26.515  575.713   26.440  299.405   6.5351  291.420   6.6950 7.984863 9.355774 
1 1 1    9    5   28 o  413.792   6.9344  1181.79   36.995  1093.04   61.566  1231.94   46.283  401.343   11.320  426.241   8.0127 -24.89716 13.86886 
1 1 1    9    5   29 o  987.453   13.735  6456.97  169.743  7107.99  312.465  6184.42  202.177  1020.99   22.584  953.919   15.640 67.06726 27.47076 
1 1 1    9    5   32 o  704.658   10.179  3363.12   91.658  3409.34  159.188  3340.20  112.105  707.916   16.594  701.401   11.794 6.515015 20.35837 
1 1 1    9    5   33 o  314.122   6.7773  669.608   28.847  676.015   40.652  663.110   40.941  315.639   9.5040  312.604   9.6645 3.034821 13.55460 
1 1 1    9    5   34 o  471.905   7.4820  1510.39   45.059  1507.59   55.103  1516.04   78.280  471.398   8.6259  472.412   12.228 -1.014587 14.96410 
1 1 1    9    5   35 o  595.977   7.2645  2409.34   58.642  2345.29   81.409  2478.43   84.546  587.757   10.221  604.196   10.326 -16.43988 14.52905 
1 1 1    9    5   36 o  418.155   6.9079  1193.42   37.211  1166.38   62.984  1207.92   46.122  414.367   11.217  421.943   8.0662 -7.576294 13.81579 
1 1 1    9    5   37 o  458.885   7.3221  1422.21   43.026  1454.65   74.577  1406.02   52.677  462.610   11.896  455.161   8.5402 7.449402 14.64422 
1 1 1    9    5   38 o  275.775   4.6279  515.747   17.291  511.713   24.146  519.992   24.771  274.671   6.4870  276.879   6.6020 -2.208130 9.255712 
1 1 1    9    5   40 o  456.595   7.3847  1411.84   42.820  1402.17   52.058  1432.08   75.291  454.435   8.4535  458.756   12.111 -4.320251 14.76944 
1 1 1    9    5   41 o  436.599   5.8474  1294.17   34.592  1322.98   49.222  1266.06   48.625  441.403   8.2288  431.795   8.3100 9.608124 11.69487 
1 1 1    9    5   42 o  235.648   4.4519  376.893   14.210  389.202   20.071  364.522   20.121  239.512   6.1840  231.783   6.4061 7.729385 8.903892 
1 1 1    9    5   43 o  308.053   5.8884  620.727   22.838  583.461   27.240  708.902   41.901  293.194   6.8559  322.913   9.5754 -29.71970 11.77674 
1 1 1    9    5   44 o  285.771   5.8331  564.535   21.298  585.642   26.354  524.798   36.161  293.742   6.6207  277.800   9.6055 15.94131 11.66619 
1 1 1    9    5   45 o  216.096   5.3114  304.840   14.658  353.648   26.228  282.671   17.677  228.115   8.4846  204.076   6.3918 24.03929 10.62278 
1 1 1    9    5   46 o  210.486   5.4078  302.922   14.589  294.910   24.928  307.095   17.991  208.264   8.8328  212.708   6.2416 -4.443710 10.81555 
1 1 1    9    5   47 o  359.397   5.2555  877.516   25.595  885.884   36.174  869.126   36.220  361.118   7.3920  357.677   7.4726 3.441925 10.51099 
1 1 1    9    5   48 o  296.812   4.8418  598.318   19.469  617.947   27.653  579.028   27.414  301.647   6.7649  291.977   6.9286 9.669952 9.683504 
1 1 1    9    5   49 o  241.835   4.5433  397.198   14.887  401.575   20.950  392.734   21.158  243.186   6.3570  240.483   6.4925 2.702835 9.086524 
1 1 1    9    5   50 o  198.960   6.1883  268.796   16.685  268.796   16.685   0.0000   0.0000  198.960   6.1883  ?   ?       ?      ? 
1 1 1    9    5   51 o  332.001   5.1069  749.178   22.976  755.498   32.509  742.870   32.476  333.404   7.1953  330.598   7.2490 2.805634 10.21375 
1 1 1    9    5   52 o  258.367   6.5627  453.527   22.978  453.527   22.978   0.0000   0.0000  258.367   6.5627  ?   ?       ?      ? 
1 1 1    9    5   53 o  234.765   4.5844  374.516   14.582  383.259   20.637  365.800   20.607  237.508   6.4120  232.021   6.5539 5.486923 9.168794 
1 1 1    9    5   54 o  285.919   4.8767  555.729   18.894  557.054   26.872  554.433   26.571  286.252   6.9275  285.586   6.8658 0.6658325 9.753385 
1 1 1    9    5   55 o  142.731   5.4828  138.276   10.059  139.797   17.248  137.492   12.383  143.226   8.8864  142.236   6.4246 0.9905243 10.96562 
1 1 1    9    5   56 o  153.778   5.5585  158.518   10.895  153.926   13.226  168.216   19.219  150.481   6.4856  157.075   9.0291 -6.594147 11.11700 
1 1 1    9    5   57 o  145.440   5.5649  139.457   10.406  130.402   12.655  158.362   18.286  138.477   6.7438  152.402   8.8540 -13.92525 11.12974 
1 1 1    9    5   58 o  110.635   5.0548   83.381   7.5680   78.651   10.733   88.059   10.673  107.496   7.3679  113.774   6.9223 -6.277710 10.10964 
1 1 1    9    5   59 o   73.443   6.1954   36.884   6.1478   33.908   8.7443   39.793   8.6452   70.484   9.1549   76.403   8.3500 -5.918999 12.39089 
1 1 1    9    5   60 o  179.872   6.5086  220.076   15.865  220.076   15.865   0.0000   0.0000  179.872   6.5086  ?   ?       ?      ? 
1 1 1    9    5   61 o  164.498   6.7162  184.991   14.967  185.962   20.952  183.979   21.389  164.958   9.3728  164.038   9.6218 0.9197540 13.43242 
1 1 1    9    5   62 o  191.712   5.6963  251.180   13.893  249.419   24.204  252.045   16.967  190.983   9.3522  192.440   6.5061 -1.457275 11.39269 
1 1 1    9    5   63 o  138.380   4.7942  130.234   8.9836  136.317   12.999  124.673   12.429  141.469   6.7807  135.292   6.7794 6.177032 9.588466 
1 1 1    9    5   64 o  113.882   5.1579   88.438   7.9587   89.737   11.379   87.193   11.136  114.699   7.3208  113.066   7.2678 1.632301 10.31579 
1 1 1    9    5   65 o  177.153   6.5288  213.899   15.674   0.0000   0.0000  213.899   15.674  ?   ?   177.153   6.5288      ?      ? 
1 1 1    9    5   66 o  154.127   4.7104  162.038   9.8377  163.695   14.016  160.428   13.812  154.902   6.6769  153.353   6.6462 1.548630 9.420885 
1 1 1    9    5   67 o  109.155   5.1908   81.595   7.6570   74.458   10.802   88.804   10.856  104.308   7.6419  114.001   7.0268 -9.693268 10.38151 
1 1 1    9    5   68 o  110.144   5.1871   83.017   7.7408   85.208   11.053   80.909   10.845  111.573   7.3103  108.715   7.3611 2.858780 10.37424 
1 1 1    9    5   69 o   66.543   7.3369   31.819   6.2762   24.231   9.0469   38.859   8.7143   57.939   11.920   75.146   8.5574 -17.20766 14.67384 
1 1 1    9    5   70 o   38.651   9.3010   5.3653   6.1358   19.410   10.889  -1.1685   7.4272   51.514   14.810   25.789   11.257 25.72563 18.60208 
1 1 1    9    5   71 o  103.152   6.7445   75.661   8.8253   68.285   15.018   79.551   10.907   98.748   11.223  107.556   7.4833 -8.807587 13.48903 
1 1 1    9    5   72 o  111.425   6.3504   85.593   9.0810   84.436   11.150   87.872   15.650  110.726   7.4309  112.124   10.300 -1.398186 12.70082 
1 1 1    9    5   73 o   83.246   5.9845   47.895   6.6888   57.354   9.7812   39.586   9.1674   91.058   7.9266   75.435   8.9680 15.62355 11.96898 
1 1 1    9    5   74 o  146.570   4.8568  148.051   9.6422  154.522   13.766  141.820   13.510  149.744   6.7840  143.397   6.9522 6.346909 9.713691 
1 1 1    9    5   75 o   43.773   9.9180   13.817   6.4382   13.683   7.9183   14.078   11.059   43.046   12.702   44.499   15.235 -1.453632 19.83609 
1 1 1    9    5   76 f   38.571   9.7348   9.9940   6.3655   8.1416   10.462   11.083   8.0209   37.764   14.522   39.378   12.969 -1.614391 19.46966 
1 1 1    9    5   77 o   58.359   9.4253   25.503   6.9699   27.371   12.110   24.578   8.5228   59.173   15.064   57.545   11.333 1.628155 18.85056 
1 1 1    9    5   78 o   86.163   6.0369   52.402   7.0232   47.145   9.8791   57.774   9.9864   81.630   8.9306   90.696   8.1253 -9.065582 12.07382 
1 1 1    9    5   79 o   53.492   8.3245   21.582   6.0906   14.016   8.5192   29.493   8.7108   42.919   13.286   64.066   10.033 -21.14748 16.64894 
1 1 1    9    5   80 f  110.956   5.3703   86.500   8.0706   85.977   11.220   87.061   11.618  110.668   7.4812  111.245   7.7067 -0.5769348 10.74070 
1 1 1    9    5   81 o   88.628   5.9873   55.883   7.1098   45.782   9.8641   66.805   10.257   79.959   9.1035   97.296   7.7793 -17.33707 11.97460 
1 1 1    9    5   82 o   63.776   7.3930   30.096   6.2448   28.685   8.9042   31.462   8.7605   61.674   11.060   65.878   9.8131 -4.203499 14.78596 
1 1 1    9    5   83 o   48.218   9.8272   19.053   6.7029   16.070   11.509   20.584   8.2456   44.982   15.535   51.453   12.039 -6.471180 19.65441 
1 1 1    9    5   84 o   37.780   9.3970   10.302   6.5837   1.0527   10.911   15.597   8.2560   31.208   13.632   44.352   12.937 -13.14405 18.79400 
1 1 1    9    5   85 o   33.829   10.130   4.3386   8.0180   4.3082   10.993   4.3733   11.720   33.466   14.129   34.192   14.521 -0.7264366 20.26052 
1 1 1    9    5   86 o   42.946   10.951   12.914   8.6858   4.1820   11.617   23.986   13.080   33.719   14.391   52.173   16.511 -18.45370 21.90224 
1 1 1    9    5   87 o   37.969   10.667   9.3439   8.2784   5.2705   11.167   14.313   12.334   33.842   14.262   42.096   15.867 -8.253807 21.33460 
1 1 1    9    5   88 o   50.753   11.659   23.498   9.2221   19.978   12.631   27.516   13.496   47.049   16.273   54.458   16.700 -7.409035 23.31769 
1 1 1    9    5   89 o   48.685   16.994   22.755   13.790   0.0000   0.0000   22.755   13.790  ?   ?    48.685   16.994      ?      ? 
1 1 1    9    5   90 o   47.690   16.616   22.315   13.180   0.0000   0.0000   22.315   13.180  ?   ?    47.690   16.616      ?      ? 
1 1 1    9    5   91 f   46.932   11.403   21.630   9.4007   12.166   13.265   31.179   13.325   38.099   15.760   55.765   16.484 -17.66608 22.80591 
1 1 1    9    5   92 o   35.057   10.546   9.1180   8.8235   6.2639   12.381   12.064   12.578   33.017   14.469   37.097   15.347 -4.080070 21.09216 
1 1 1    9    6    0 o  490.324   7.5600  1631.01   47.626  1632.07   81.558  1630.46   58.667  490.337   12.274  490.312   8.8296 0.2526855E-01 15.12005 
1 1 1    9    6    1 o  412.764   6.6504  1117.83   34.783  1261.26   62.897  1054.64   41.748  431.146   10.765  394.381   7.8116 36.76511 13.30083 
1 1 1    9    6    2 o  396.344   6.4980  1050.40   32.973  1110.85   57.625  1020.97   40.206  404.644   10.509  388.045   7.6459 16.59842 12.99602 
1 1 1    9    6    3 o  708.417   10.143  3394.40   91.802  3449.95  159.607  3366.93  112.223  712.462   16.531  704.373   11.757 8.089172 20.28580 
1 1 1    9    6    4 o  503.285   7.7780  1753.55   50.875  1587.02   82.630  1855.21   64.562  483.545   12.610  523.025   9.1091 -39.47995 15.55604 
1 1 1    9    6    5 o  284.165   5.4905  557.106   20.274  511.882   33.094  584.275   25.651  274.743   8.8888  293.587   6.4474 -18.84375 10.98090 
1 1 1    9    6    6 o  234.928   4.2235  374.135   13.444  377.524   18.923  370.681   19.104  236.004   5.9169  233.853   6.0284 2.150406 8.446987 
1 1 1    9    6    7 o  268.740   5.5672  487.795   18.750  484.810   22.536  494.511   33.799  267.440   6.2181  270.040   9.2363 -2.600433 11.13436 
1 1 1    9    6    8 o  306.655   5.5069  624.962   19.201  614.763   21.768  660.723   40.760  301.175   5.3335  312.135   9.6363 -10.95956 11.01385 
1 1 1    9    6    9 o  472.531   7.0776  1510.13   38.741  1506.27   44.430  1522.35   79.136  471.388   6.9552  473.673   12.329 -2.284241 14.15512 
1 1 1    9    6   10 o  349.304   5.9192  829.563   23.805  831.656   27.258  822.838   48.865  350.293   5.7422  348.315   10.352 1.977692 11.83835 
1 1 1    9    6   11 f  322.167   5.7346  716.658   21.308  728.859   24.510  678.901   43.116  327.935   5.5152  316.398   10.056 11.53644 11.46914 
1 1 1    9    6   12 o  434.362   6.7257  1287.01   33.932  1294.30   39.043  1264.51   68.598  436.978   6.5933  431.746   11.725 5.231201 13.45133 
1 1 1    9    6   13 o  516.818   7.5831  1824.19   45.768  1836.66   52.815  1786.62   91.709  520.516   7.4875  513.121   13.189 7.395508 15.16611 
1 1 1    9    6   14 o  898.235   11.878  5384.12  123.190  5299.46  140.629  5663.38  255.412  883.868   11.741  912.603   20.653 -28.73492 23.75674 
1 1 1    9    6   15 o  626.738   7.5262  2664.03   63.921  2670.81   90.380  2657.24   90.415  627.537   10.628  625.940   10.659 1.597351 15.05230 
1 1 1    9    6   16 o  503.483   6.3756  1718.67   43.498  1745.31   61.750  1692.44   61.282  507.356   8.9814  499.610   9.0515 7.746643 12.75126 
1 1 1    9    6   17 f  301.333   5.6543  616.782   21.844  619.325   26.876  611.834   37.493  302.276   6.5612  300.390   9.2106 1.886475 11.30857 
1 1 1    9    6   18 o  163.853   4.7279  181.471   9.9638  180.370   12.270  183.603   17.073  163.135   5.5503  164.571   7.6555 -1.435974 9.455802 
1 1 1    9    6   19 o  412.315   5.5653  1151.30   31.077  1208.15   44.715  1098.19   43.221  422.151   7.8164  402.478   7.9244 19.67337 11.13065 
1 1 1    9    6   20 o  433.790   5.7467  1275.72   33.779  1272.30   47.457  1279.23   48.092  433.203   8.0840  434.378   8.1700 -1.175110 11.49346 
1 1 1    9    6   21 o  432.983   7.1117  1266.38   38.927  1257.46   47.122  1285.56   69.074  430.664   8.0743  435.303   11.710 -4.639771 14.22347 
1 1 1    9    6   22 o  494.347   12.783  1658.47   85.632   0.0000   0.0000  1658.47   85.632  ?   ?   494.347   12.783      ?      ? 
1 1 1    9    6   23 o  596.081   7.2433  2410.11   58.509  2423.01   82.724  2397.19   82.764  597.680   10.214  594.483   10.274 3.196960 14.48665 
1 1 1    9    6   24 o  481.043   6.1778  1569.07   40.268  1559.40   56.525  1579.04   57.381  479.540   8.6983  482.547   8.7749 -3.006409 12.35556 
1 1 1    9    6   25 o  291.056   6.6614  574.284   26.274   0.0000   0.0000  574.284   26.274  ?   ?   291.056   6.6614      ?      ? 
1 1 1    9    6   26 o  424.773   5.7062  1223.53   32.844  1241.63   46.516  1205.53   46.382  427.909   8.0218  421.638   8.1176 6.271240 11.41245 
1 1 1    9    6   27 o  716.379   8.4352  3482.98   81.877  3444.68  114.675  3522.80  116.942  712.368   11.879  720.389   11.979 -8.021118 16.87037 
1 1 1    9    6   28 o  648.715   9.5451  2872.51   79.403  2814.61  135.767  2902.61   97.891  643.458   15.570  653.972   11.046 -10.51392 19.09024 
1 1 1    9    6   29 o  1013.00   23.015  7004.83  315.938  7004.83  315.938   0.0000   0.0000  1013.00   23.015  ?   ?       ?      ? 
1 1 1    9    6   30 o  677.869   8.0534  3119.14   73.974  3164.97  105.242  3074.39  103.999  682.792   11.374  672.946   11.404 9.845093 16.10680 
1 1 1    9    6   31 o  354.935   5.1420  853.572   24.719  832.192   34.280  876.731   35.677  350.311   7.2212  359.559   7.3222 -9.247986 10.28400 
1 1 1    9    6   32 o  385.340   5.3959  1005.78   28.156  971.562   38.932  1043.31   40.770  378.479   7.5907  392.202   7.6709 -13.72302 10.79179 
1 1 1    9    6   33 o  170.590   5.0473  198.164   11.243  194.369   18.484  200.392   14.164  169.267   8.0582  171.914   6.0799 -2.647781 10.09455 
1 1 1    9    6   34 o  191.089   5.0935  248.618   12.664  244.282   21.003  251.094   15.874  189.746   8.1683  192.432   6.0872 -2.686188 10.18697 
1 1 1    9    6   35 o  148.837   4.2258  149.838   8.5115  142.901   11.672  157.716   12.439  145.168   5.9332  152.505   6.0188 -7.337341 8.451608 
1 1 1    9    6   36 o  174.189   4.2478  205.751   10.021  205.283   13.935  206.253   14.422  173.986   5.9102  174.393   6.1028 -0.4059296 8.495576 
1 1 1    9    6   37 o  283.418   5.7059  545.695   21.000  543.458   35.101  546.941   26.208  282.895   9.1562  283.940   6.8112 -1.045746 11.41177 
1 1 1    9    6   38 o  171.313   5.2175  199.760   11.333  200.861   13.799  197.476   19.863  172.089   5.9171  170.538   8.5951 1.551620 10.43492 
1 1 1    9    6   39 o  314.217   4.9265  669.103   20.946  722.709   30.176  619.261   29.097  326.355   6.8232  302.078   7.1080 24.27722 9.852916 
1 1 1    9    6   40 o  154.099   5.9496  161.090   12.424  161.090   12.424   0.0000   0.0000  154.099   5.9496  ?   ?       ?      ? 
1 1 1    9    6   41 o  201.969   6.0195  276.749   16.475  276.749   16.475   0.0000   0.0000  201.969   6.0195  ?   ?       ?      ? 
1 1 1    9    6   42 f  291.899   4.7698  577.326   18.851  553.701   26.001  603.503   27.369  285.617   6.7177  298.181   6.7733 -12.56390 9.539684 
1 1 1    9    6   43 o  448.677   5.9713  1367.63   36.299  1407.40   51.770  1329.17   50.911  455.100   8.3943  442.255   8.4949 12.84479 11.94266 
1 1 1    9    6   44 o  202.376   4.3822  278.287   11.999  296.140   16.955  260.375   16.983  208.897   5.9893  195.856   6.3986 13.04163 8.764347 
1 1 1    9    6   45 o  165.194   4.3248  185.257   9.6782  186.749   13.543  183.700   13.836  165.878   6.0249  164.510   6.2062 1.368225 8.649626 
1 1 1    9    6   46 o  296.199   5.9617  602.300   22.656  578.281   38.482  615.043   28.029  291.463   9.7431  300.936   6.8731 -9.472229 11.92338 
1 1 1    9    6   47 f  418.593   5.7582  1190.65   32.654  1161.54   45.531  1221.49   46.857  413.329   8.1288  423.857   8.1578 -10.52777 11.51643 
1 1 1    9    6   48 o  255.451   4.6252  443.038   16.008  435.817   22.367  450.621   22.920  253.320   6.5155  257.582   6.5663 -4.261642 9.250360 
1 1 1    9    6   49 o  335.004   7.1983  762.705   32.678  762.705   32.678   0.0000   0.0000  335.004   7.1983  ?   ?       ?      ? 
1 1 1    9    6   50 o  396.914   7.8776  1071.50   42.371  1071.50   42.371   0.0000   0.0000  396.914   7.8776  ?   ?       ?      ? 
1 1 1    9    6   51 o  415.611   8.1123  1175.33   45.689  1175.33   45.689   0.0000   0.0000  415.611   8.1123  ?   ?       ?      ? 
1 1 1    9    6   52 o  197.760   5.4606  267.446   13.922  261.491   23.523  270.656   17.272  195.931   8.8595  199.588   6.3861 -3.656967 10.92120 
1 1 1    9    6   53 o   93.154   5.3362   59.033   6.7345   58.963   9.4174   59.107   9.6344   93.102   7.4643   93.207   7.6277 -0.1051636 10.67230 
1 1 1    9    6   54 o  211.932   4.5537  304.828   13.068  291.113   18.101  319.760   18.887  206.959   6.4542  216.906   6.4256 -9.946976 9.107376 
1 1 1    9    6   55 f  282.475   4.8606  542.669   18.605  548.967   26.262  536.325   26.359  284.128   6.8208  280.822   6.9267 3.306427 9.721218 
1 1 1    9    6   56 o  224.344   9.4643  343.499   28.773   0.0000   0.0000  343.499   28.773  ?   ?   224.344   9.4643      ?      ? 
1 1 1    9    6   57 o  235.253   6.7444  377.820   21.500  372.482   30.187  383.315   30.628  233.567   9.5373  236.939   9.5388 -3.372055 13.48884 
1 1 1    9    6   58 o  233.340   5.7896  369.138   17.242  365.290   21.049  376.985   30.062  231.729   6.7029  234.952   9.4418 -3.222321 11.57913 
1 1 1    9    6   59 o  287.818   4.9517  563.720   19.307  583.976   27.527  544.106   27.088  292.919   6.9347  282.718   7.0703 10.20102 9.903496 
1 1 1    9    6   60 o  228.539   4.6923  355.393   14.530  364.279   20.675  346.723   20.424  231.367   6.5943  225.711   6.6773 5.656342 9.384645 
1 1 1    9    6   61 o  100.363   5.4219   68.884   7.3325   60.232   10.329   77.673   10.411   93.953   8.1129  106.772   7.1950 -12.81957 10.84379 
1 1 1    9    6   62 o   91.419   6.8980   54.864   8.0840   64.606   14.381   50.364   9.7744   96.975   10.944   85.864   8.4003 11.11109 13.79591 
1 1 1    9    6   63 o  144.241   5.8673  138.516   10.824  153.309   19.129  131.549   13.128  149.575   9.4374  138.908   6.9739 10.66731 11.73454 
1 1 1    9    6   64 o   86.705   5.9109   51.530   6.8884   60.185   9.8883   43.370   9.6013   93.848   7.7752   79.562   8.9051 14.28645 11.82178 
1 1 1    9    6   65 o   87.038   5.8228   51.871   6.8669   52.077   9.8010   51.672   9.6241   87.201   8.2940   86.875   8.1748 0.3260345 11.64554 
1 1 1    9    6   66 o  192.055   6.6127  251.817   17.210  251.817   17.210   0.0000   0.0000  192.055   6.6127  ?   ?       ?      ? 
1 1 1    9    6   67 o  111.960   5.3439   86.145   8.0681   76.493   11.416   95.775   11.404  105.605   7.9774  118.315   7.1125 -12.70993 10.68771 
1 1 1    9    6   68 o  100.151   6.8790   70.167   8.6829   67.021   15.214   71.687   10.574   98.082   11.446  102.220   7.6336 -4.138275 13.75807 
1 1 1    9    6   69 o   52.534   8.4106   20.289   5.8895   15.753   8.4824   24.512   8.1837   46.572   12.964   58.495   10.719 -11.92375 16.82127 
1 1 1    9    6   70 o  116.506   5.1118   93.251   8.0698   93.737   11.502   92.779   11.325  116.796   7.2670  116.215   7.1911 0.5817795 10.22353 
1 1 1    9    6   71 o  113.263   5.1973   88.281   7.9646   95.196   11.410   81.709   11.123  117.633   7.1575  108.893   7.5378 8.740402 10.39464 
1 1 1    9    6   72 o   52.811   10.019   20.708   7.0398   20.687   8.5936   20.750   12.275   52.970   12.221   52.652   15.881 0.3181076 20.03858 
1 1 1    9    6   73 o  112.726   7.4840   87.889   11.432   87.889   11.432   0.0000   0.0000  112.726   7.4840  ?   ?       ?      ? 
1 1 1    9    6   74 o   70.662   6.8513   35.160   6.5551   33.639   9.2856   36.670   9.2551   69.075   9.9199   72.249   9.4530 -3.173820 13.70267 
1 1 1    9    6   75 o   96.409   5.6699   64.859   7.4033   66.749   10.413   62.926   10.527   97.887   7.8503   94.930   8.1833 2.956726 11.33987 
1 1 1    9    6   76 o  108.980   5.3194   82.797   7.8451   88.218   11.150   77.484   11.040  112.599   7.3075  105.362   7.7322 7.237160 10.63887 
1 1 1    9    6   77 o   85.517   7.3958   52.717   8.1169   51.916   13.785   53.143   10.042   84.203   12.081   86.831   8.5343 -2.628525 14.79156 
1 1 1    9    6   78 o   37.382   9.1814   9.7899   5.6991   8.4490   7.8720   11.267   8.2618   35.500   12.797   39.264   13.170 -3.763454 18.36281 
1 1 1    9    6   79 o   46.512   9.0714   16.703   5.9273   14.657   8.2589   18.876   8.5119   43.635   12.996   49.389   12.659 -5.754692 18.14274 
1 1 1    9    6   80 o   54.145   8.2185   22.380   6.0668   13.549   8.4714   31.677   8.6925   42.004   13.287   66.287   9.6769 -24.28271 16.43701 
1 1 1    9    6   81 o   86.611   7.6047   56.271   8.2733   51.263   14.248   58.819   10.162   82.259   12.781   90.964   8.2439 -8.704720 15.20942 
1 1 1    9    6   82 o   64.038   9.0403   31.824   7.3247   31.170   12.430   32.172   9.0660   61.690   15.011   66.385   10.078 -4.694508 18.08051 
1 1 1    9    6   83 o   35.024   9.0157   7.2147   6.5769  -6.6898   11.169   14.595   8.1373   27.035   12.577   43.012   12.921 -15.97733 18.03146 
1 1 1    9    6   84 o   62.925   9.7090   32.556   7.7044   28.908   13.654   34.260   9.3319   57.660   16.585   68.190   10.099 -10.52911 19.41805 
1 1 1    9    6   85 o   36.796   10.362   6.6681   8.3877  -2.5164   11.943   15.607   11.783   29.873   13.565   43.719   15.667 -13.84569 20.72343 
1 1 1    9    6   86 o   41.279   15.787   13.356   12.323   13.356   12.323   0.0000   0.0000   41.279   15.787  ?   ?       ?      ? 
1 1 1    9    6   87 o   76.894   10.509   50.415   10.551   53.797   15.067   47.161   14.780   79.929   14.442   73.859   15.271 6.069420 21.01844 
1 1 1    9    6   88 o   45.985   11.246   18.817   8.9984   26.748   12.766   10.984   12.686   53.547   16.205   38.424   15.598 15.12307 22.49257 
1 1 1    9    6   89 o   38.021   10.879   10.802   8.8703   16.020   12.728   5.8740   12.369   42.024   16.051   34.017   14.689 8.007278 21.75773 
1 1 1    9    6   90 o   39.507   15.917   13.886   13.103   0.0000   0.0000   13.886   13.103  ?   ?    39.507   15.917      ?      ? 
1 1 1    9    6   91 o   34.119   10.596   6.9721   9.4967   4.2270   13.897   9.3772   13.008   32.801   14.788   35.437   15.179 -2.636074 21.19205 
1 1 1    9    7    0 o  402.288   6.7822  1085.44   34.549  1130.97   61.493  1064.44   41.764  408.328   11.113  396.247   7.7777 12.08069 13.56436 
1 1 1    9    7    1 o  384.773   6.6266  1003.52   32.435  1005.09   56.680  1002.76   39.551  384.945   10.865  384.601   7.5887 0.3440857 13.25320 
1 1 1    9    7    2 o  539.869   8.2824  1977.88   56.998  1975.28   99.126  1979.16   69.666  539.493   13.559  540.244   9.5159 -0.7509766 16.56480 
1 1 1    9    7    3 o  808.891   9.3716  4421.42  102.494  4159.18  139.364  4730.35  151.262  782.889   13.136  834.894   13.370 -52.00500 18.74311 
1 1 1    9    7    4 o  715.197   8.4052  3470.00   81.461  3460.99  114.859  3479.11  115.550  714.265   11.866  716.129   11.907 -1.864014 16.81030 
1 1 1    9    7    5 o  476.309   6.1299  1538.20   39.565  1550.52   55.992  1525.91   55.916  478.215   8.6402  474.403   8.6976 3.811401 12.25976 
1 1 1    9    7    6 o  596.770   7.2597  2411.41   58.660  2320.46   80.974  2511.86   85.096  584.950   10.215  608.590   10.318 -23.64063 14.51937 
1 1 1    9    7    7 o  384.266   5.3376  1000.96   27.791  1021.52   39.427  980.656   39.180  388.189   7.4949  380.343   7.6017 7.845337 10.67517 
1 1 1    9    7    8 o  240.848   5.2277  396.826   14.193  399.763   16.126  386.733   29.892  242.874   4.8998  238.821   9.2363 4.052734 10.45545 
1 1 1    9    7    9 o  365.212   5.9302  904.003   29.349  904.003   29.349   0.0000   0.0000  365.212   5.9302  ?   ?       ?      ? 
1 1 1    9    7   10 o  580.845   8.1549  2287.26   64.189  2287.26   64.189   0.0000   0.0000  580.845   8.1549  ?   ?       ?      ? 
1 1 1    9    7   11 o  373.058   6.0204  943.273   30.436  943.273   30.436   0.0000   0.0000  373.058   6.0204  ?   ?       ?      ? 
1 1 1    9    7   12 o  241.523   4.9335  395.331   16.147  395.331   16.147   0.0000   0.0000  241.523   4.9335  ?   ?       ?      ? 
1 1 1    9    7   13 o  563.034   8.0820  2151.61   52.937  2152.83   60.879  2147.83  107.194  563.521   7.9721  562.546   14.061 0.9753418 16.16408 
1 1 1    9    7   14 o  550.627   7.9547  2055.06   50.923  2053.63   58.527  2059.51  103.312  550.388   7.8470  550.866   13.840 -0.4783325 15.90935 
1 1 1    9    7   15 o  341.676   6.0124  818.000   23.828  844.576   27.597  740.157   47.231  353.004   5.7690  330.349   10.550 22.65500 12.02473 
1 1 1    9    7   16 o  354.466   6.0623  862.172   24.806  871.736   28.501  832.293   50.375  358.632   5.8644  350.300   10.612 8.331177 12.12451 
1 1 1    9    7   17 o  408.605   6.5545  1147.10   31.089  1161.50   35.826  1103.18   62.560  413.953   6.3866  403.256   11.448 10.69711 13.10904 
1 1 1    9    7   18 o  188.268   4.1461  240.112   10.572  236.635   14.660  243.880   15.260  186.850   5.7898  189.687   5.9364 -2.837021 8.292288 
1 1 1    9    7   19 o  216.861   5.3741  319.901   14.566  321.608   17.518  316.079   26.218  217.826   5.9346  215.896   8.9613 1.929901 10.74824 
1 1 1    9    7   20 o  689.945   10.072  3245.33   88.738  3271.71  108.867  3193.11  153.180  694.390   11.569  685.499   16.490 8.891052 20.14349 
1 1 1    9    7   21 o  841.555   9.7149  4808.60  110.790  4832.36  157.032  4785.05  156.331  843.625   13.736  839.485   13.742 4.140747 19.42980 
1 1 1    9    7   22 o  568.958   9.9543  2195.91   76.749   0.0000   0.0000  2195.91   76.749  ?   ?   568.958   9.9543      ?      ? 
1 1 1    9    7   23 o  384.839   5.3836  1003.64   28.066  1042.35   40.180  966.752   39.220  392.083   7.5622  377.594   7.6647 14.48987 10.76729 
1 1 1    9    7   24 o  754.640   12.492  3866.43  127.746   0.0000   0.0000  3866.43  127.746  ?   ?   754.640   12.492      ?      ? 
1 1 1    9    7   25 o  944.641   15.272  6065.41  195.501   0.0000   0.0000  6065.41  195.501  ?   ?   944.641   15.272      ?      ? 
1 1 1    9    7   26 o  364.491   7.4463  900.874   36.780   0.0000   0.0000  900.874   36.780  ?   ?   364.491   7.4463      ?      ? 
1 1 1    9    7   27 o  350.279   6.3372  839.985   28.489  808.154   48.400  856.860   35.240  345.085   10.350  355.473   7.3156 -10.38776 12.67431 
1 1 1    9    7   28 o  361.511   7.4227  886.285   36.364   0.0000   0.0000  886.285   36.364  ?   ?   361.511   7.4227      ?      ? 
1 1 1    9    7   29 o  358.449   6.3039  870.586   29.082  875.473   49.686  868.040   35.867  359.138   10.209  357.760   7.3982 1.377960 12.60784 
1 1 1    9    7   30 o  514.355   7.9638  1810.89   52.814  1750.05   88.960  1844.00   65.632  507.441   12.937  521.269   9.2912 -13.82816 15.92760 
1 1 1    9    7   32 o  391.011   7.7710  1037.27   41.176   0.0000   0.0000  1037.27   41.176  ?   ?   391.011   7.7710      ?      ? 
1 1 1    9    7   33 o  499.070   9.0911  1690.86   61.484   0.0000   0.0000  1690.86   61.484  ?   ?   499.070   9.0911      ?      ? 
1 1 1    9    7   34 o  398.694   5.5258  1078.72   29.852  1080.65   41.922  1076.74   42.517  399.059   7.7521  398.328   7.8766 0.7310181 11.05157 
1 1 1    9    7   35 o  201.818   4.3457  275.575   11.867  264.077   16.250  288.717   17.372  197.320   6.0770  206.316   6.2136 -8.995804 8.691316 
1 1 1    9    7   36 o  362.776   6.3734  872.123   29.183  836.513   35.015  953.136   52.813  351.087   7.3596  374.465   10.407 -23.37814 12.74673 
1 1 1    9    7   37 o  283.820   5.7330  543.979   20.696  538.448   25.177  555.505   36.343  281.707   6.5951  285.933   9.3793 -4.226349 11.46591 
1 1 1    9    7   38 o  145.773   4.3347  143.816   8.5455  139.014   11.649  149.412   12.575  143.148   6.0050  148.398   6.2529 -5.249588 8.669374 
1 1 1    9    7   39 f  230.639   4.4381  360.376   13.858  347.950   19.105  374.175   20.133  226.452   6.2256  234.826   6.3269 -8.373566 8.876239 
1 1 1    9    7   40 o  274.637   5.8091  510.631   20.117  507.608   24.306  517.203   35.841  273.481   6.5586  275.793   9.5899 -2.311920 11.61817 
1 1 1    9    7   41 o  169.738   6.2548  198.057   14.219  224.724   19.680  168.932   20.567  181.878   7.9846  157.599   9.6301 24.27908 12.50966 
1 1 1    9    7   42 o  234.507   6.2665  373.750   19.905  369.548   27.657  378.264   28.669  233.150   8.7537  235.864   8.9694 -2.714096 12.53302 
1 1 1    9    7   43 o  217.981   4.4498  322.461   13.133  320.722   18.177  324.359   18.996  217.374   6.1708  218.587   6.4128 -1.213593 8.899588 
1 1 1    9    7   44 o  197.229   4.3925  263.601   11.729  252.269   16.187  276.129   17.020  192.774   6.1964  201.683   6.2273 -8.908554 8.784968 
1 1 1    9    7   45 o  358.279   5.2971  872.136   25.713  897.658   36.590  847.238   36.141  363.464   7.4289  353.093   7.5531 10.37189 10.59422 
1 1 1    9    7   46 o  354.218   6.4547  851.695   29.244  861.006   50.650  847.039   35.817  355.405   10.517  353.032   7.4868 2.373199 12.90934 
1 1 1    9    7   47 o  201.774   5.5369  280.618   14.321  264.837   24.255  289.065   17.745  197.238   9.0745  206.310   6.3470 -9.072617 11.07384 
1 1 1    9    7   48 o  342.859   7.4050  799.132   34.405   0.0000   0.0000  799.132   34.405  ?   ?   342.859   7.4050      ?      ? 
1 1 1    9    7   49 o  283.412   5.8121  538.449   21.145  571.719   36.776  522.018   25.844  289.674   9.3685  277.150   6.8813 12.52359 11.62414 
1 1 1    9    7   50 o   95.288   5.2034   61.875   6.7040   65.586   9.3886   58.015   9.5761   98.223   7.0535   92.352   7.6517 5.870117 10.40672 
1 1 1    9    7   51 o  171.046   4.5040  198.969   10.430  206.686   14.661  191.059   14.843  174.420   6.2026  167.673   6.5324 6.747665 9.008021 
1 1 1    9    7   52 o  159.675   4.6459  172.573   10.032  160.443   13.688  186.649   14.745  153.638   6.5744  165.712   6.5662 -12.07372 9.291825 
1 1 1    9    7   53 o  251.860   6.7132  432.856   22.907  438.571   32.181  426.986   32.614  253.569   9.3652  250.151   9.6210 3.417725 13.42647 
1 1 1    9    7   54 o   94.604   5.4906   61.005   7.0134   54.563   9.8421   67.651   9.9966   89.503   8.1146   99.705   7.3987 -10.20152 10.98120 
1 1 1    9    7   55 o  136.096   5.7581  121.647   10.036  113.142   12.144  139.970   17.825  128.964   6.9488  143.227   9.1835 -14.26395 11.51619 
1 1 1    9    7   56 o  235.550   4.7270  377.632   15.079  387.121   21.134  367.793   21.520  238.586   6.5367  232.514   6.8300 6.071686 9.453901 
1 1 1    9    7   57 o  201.803   5.8161  282.581   14.833  292.039   18.150  263.560   25.739  207.215   6.4636  196.392   9.6712 10.82231 11.63229 
1 1 1    9    7   58 o  190.043   5.7717  247.574   13.905  249.999   16.951  242.587   24.310  191.692   6.5255  188.395   9.5221 3.297302 11.54346 
1 1 1    9    7   59 o   82.523   6.0557   46.547   6.7461   51.754   9.6195   41.507   9.4633   87.099   8.1500   77.947   8.9590 9.152573 12.11139 
1 1 1    9    7   60 o  195.999   4.6686  261.551   12.400  261.467   17.485  261.636   17.587  195.970   6.5842  196.028   6.6207 -0.5818176E-01 9.337281 
1 1 1    9    7   61 o  219.636   4.7151  328.589   14.030  318.719   19.745  338.656   19.940  216.292   6.7365  222.979   6.5991 -6.686981 9.430151 
1 1 1    9    7   62 o   50.578   8.7960   18.646   6.0705   13.959   8.8951   22.732   8.3052   44.662   13.530   56.494   11.244 -11.83196 17.59192 
1 1 1    9    7   63 o   82.676   8.0950   49.904   7.9358   42.683   14.165   53.207   9.5805   77.151   14.067   88.201   8.0155 -11.04966 16.19000 
1 1 1    9    7   64 o  140.512   4.9031  134.738   9.3332  138.400   13.400  131.287   13.007  142.363   6.9457  138.661   6.9222 3.702805 9.806134 
1 1 1    9    7   65 o  100.152   6.9618   71.919   8.6374   61.873   15.143   76.764   10.516   94.376   11.841  105.929   7.3256 -11.55289 13.92351 
1 1 1    9    7   66 o   95.498   7.0488   63.783   8.3935   61.002   14.999   65.052   10.128   93.584   11.827   97.411   7.6724 -3.827431 14.09753 
1 1 1    9    7   67 o   46.372   8.9559   15.669   5.8397   12.963   8.5234   18.063   8.0171   42.868   13.292   49.876   12.006 -7.008564 17.91188 
1 1 1    9    7   68 o   96.894   5.5559   64.438   7.2854   69.160   10.571   60.167   10.054  100.281   7.7791   93.507   7.9345 6.774689 11.11178 
1 1 1    9    7   69 o  102.498   5.5001   72.827   7.5645   61.313   10.704   84.317   10.692   94.217   8.3834  110.780   7.1222 -16.56318 11.00028 
1 1 1    9    7   70 o   63.964   8.9670   29.713   7.2951   30.001   9.0749   29.188   12.265   65.496   10.224   62.433   14.734 3.063324 17.93399 
1 1 1    9    7   71 o  132.231   6.2793  124.745   10.565  131.650   13.114  111.974   17.835  138.236   7.0004  126.226   10.427 12.01005 12.55868 
1 1 1    9    7   72 o  108.625   5.4263   81.719   7.9784   87.040   11.392   76.597   11.177  112.149   7.4961  105.101   7.8476 7.048317 10.85252 
1 1 1    9    7   73 o  121.625   6.3878  101.440   9.9592   96.982   12.135  110.640   17.431  118.219   7.5747  125.031   10.288 -6.811974 12.77553 
1 1 1    9    7   74 o   98.434   5.6646   67.626   7.5383   73.669   10.761   61.802   10.564  102.856   7.7202   94.013   8.2916 8.842293 11.32925 
1 1 1    9    7   75 o   42.413   8.8304   13.038   5.7578   19.431   8.2356   6.9251   8.0532   50.738   12.140   34.088   12.827 16.65028 17.66084 
1 1 1    9    7   76 o   70.367   6.7079   35.321   6.3731   38.491   8.9908   32.119   9.0353   73.717   9.0001   67.016   9.9490 6.700432 13.41587 
1 1 1    9    7   77 o   84.701   6.1001   50.783   6.9922   47.354   9.7843   54.362   9.9962   81.689   8.8386   87.713   8.4098 -6.023949 12.20025 
1 1 1    9    7   78 o   50.961   9.9267   20.146   6.8312   21.672   11.673   19.352   8.4244   51.856   15.452   50.065   12.465 1.791630 19.85331 
1 1 1    9    7   79 o   82.387   8.3429   53.608   8.1877   42.438   13.920   59.518   10.124   73.123   14.559   91.651   8.1517 -18.52852 16.68571 
1 1 1    9    7   80 o   54.114   9.9351   22.718   7.0232   25.976   12.284   21.136   8.5604   56.085   15.596   52.144   12.312 3.940704 19.87016 
1 1 1    9    7   81 o   52.539   10.037   21.012   7.0714   28.048   12.054   17.319   8.7320   58.361   15.119   46.717   13.206 11.64399 20.07449 
1 1 1    9    7   82 o   27.048   8.5608  -2.1779   6.2037   1.5125   10.315  -4.2691   7.7649   30.844   13.366   23.251   10.700 7.592552 17.12165 
1 1 1    9    7   83 o   35.590   9.9861   4.8554   8.0512   15.190   11.163  -6.3502   11.624   43.518   15.284   27.661   12.856 15.85720 19.97220 
1 1 1    9    7   84 o   43.232   11.154   14.775   8.6914   19.541   12.280   9.9914   12.303   47.740   16.056   38.723   15.486 9.016941 22.30724 
1 1 1    9    7   85 o   40.410   10.347   9.5215   8.5833   23.964   12.234  -4.4788   12.045   52.088   15.887   28.731   13.260 23.35661 20.69337 
1 1 1    9    7   86 o   43.639   10.317   12.408   9.0298   30.722   12.761  -5.9578   12.779   58.674   15.729   28.604   13.356 30.07013 20.63421 
1 1 1    9    7   87 o   34.266   14.733   5.5884   12.336   5.5884   12.336   0.0000   0.0000   34.266   14.733  ?   ?       ?      ? 
1 1 1    9    7   88 o   27.453   9.0503  -4.5225   8.2440  -5.0261   11.893  -4.0567   11.438   27.468   12.845   27.438   12.753 0.3025818E-01 18.10054 
1 1 1    9    7   89 o   38.059   11.015   12.051   9.0581   10.444   12.798   13.663   12.822   36.824   15.377   39.294   15.776 -2.470303 22.03024 
1 1 1    9    7   90 o   53.998   12.213   31.624   10.106   31.091   14.535   32.124   14.062   53.191   17.455   54.805   17.087 -1.614799 24.42600 
1 1 1    9    8    0 o  182.823   4.9837  228.557   11.739  233.176   14.583  220.051   19.788  185.483   5.8017  180.163   8.1050 5.320145 9.967445 
1 1 1    9    8    1 o  514.036   7.9573  1818.82   52.821  1884.88   66.084  1701.95   87.898  527.241   9.2491  500.831   12.951 26.40991 15.91470 
1 1 1    9    8    2 o  439.534   5.8657  1306.33   34.889  1244.32   47.826  1376.87   51.008  428.416   8.2380  450.653   8.3525 -22.23703 11.73148 
1 1 1    9    8    3 o  237.951   6.3084  383.771   20.342   0.0000   0.0000  383.771   20.342  ?   ?   237.951   6.3084      ?      ? 
1 1 1    9    8    4 o  378.587   5.3294  971.241   27.333  1006.57   39.039  937.269   38.281  385.339   7.4761  371.834   7.5971 13.50513 10.65870 
1 1 1    9    8    5 o  508.744   6.4495  1754.54   44.457  1733.93   62.212  1776.05   63.553  505.692   9.0783  511.795   9.1634 -6.102631 12.89895 
1 1 1    9    8    6 o  570.120   7.0221  2204.21   54.251  2224.78   76.823  2183.75   76.622  572.775   9.8975  567.465   9.9640 5.309814 14.04423 
1 1 1    9    8    7 o  533.653   8.2400  1942.25   56.338  1899.83   96.476  1964.21   69.399  529.102   13.455  538.203   9.5154 -9.101013 16.48005 
1 1 1    9    8    8 o  428.140   7.1162  1255.73   39.087  1203.31   66.388  1283.55   48.357  421.167   11.632  435.112   8.2011 -13.94507 14.23235 
1 1 1    9    8    9 o  622.383   9.3006  2631.30   73.672  2636.31   89.941  2621.07  128.432  623.451   10.646  621.316   15.254 2.135254 18.60130 
1 1 1    9    8   10 o  645.226   9.5951  2862.21   79.463  2944.76   98.545  2708.75  134.360  658.883   11.037  631.570   15.699 27.31293 19.19019 
1 1 1    9    8   11 o  363.160   6.5473  896.473   29.969  900.209   36.286  888.456   53.157  364.407   7.3480  361.913   10.839 2.493530 13.09465 
1 1 1    9    8   12 o  435.949   7.2055  1286.02   39.733  1280.70   48.158  1297.34   70.319  434.620   8.1767  437.279   11.867 -2.659119 14.41106 
1 1 1    9    8   13 o  293.116   9.7790  582.695   38.843   0.0000   0.0000  582.695   38.843  ?   ?   293.116   9.7790      ?      ? 
1 1 1    9    8   14 o  385.316   6.6728  995.973   32.374  977.930   38.952  1036.28   58.218  379.796   7.5683  390.836   10.992 -11.03958 13.34561 
1 1 1    9    8   15 o  420.034   7.0398  1193.99   37.441  1189.16   45.422  1204.22   66.129  418.791   8.0036  421.278   11.583 -2.487732 14.07959 
1 1 1    9    8   16 o  491.882   7.8009  1625.44   48.468  1597.87   58.493  1685.83   86.576  485.408   8.8923  498.357   12.820 -12.94885 15.60175 
1 1 1    9    8   17 o  564.182   8.1618  2176.45   53.859  2192.87   62.212  2127.31  107.607  568.681   8.0728  559.682   14.188 8.999512 16.32370 
1 1 1    9    8   18 o  494.276   7.3839  1654.32   42.384  1651.34   48.674  1663.68   86.202  493.521   7.2779  495.032   12.850 -1.511108 14.76789 
1 1 1    9    8   19 o  455.183   6.9808  1387.09   36.618  1370.82   41.803  1440.76   75.916  449.663   6.8601  460.702   12.160 -11.03870 13.96156 
1 1 1    9    8   20 o  377.454   6.2749  965.480   27.429  964.689   31.466  967.980   55.974  377.233   6.1553  377.675   10.937 -0.4417419 12.54981 
1 1 1    9    8   21 o  548.255   6.8483  2036.65   50.848  2123.94   73.439  1956.28   70.472  559.523   9.6855  536.986   9.6844 22.53723 13.69661 
1 1 1    9    8   22 o  333.871   5.0123  755.107   22.666  733.542   31.449  778.418   32.697  328.916   7.0557  338.826   7.1212 -9.909393 10.02469 
1 1 1    9    8   23 o  436.327   5.8522  1291.09   34.601  1277.79   48.597  1304.77   49.276  434.048   8.2621  438.605   8.2905 -4.557037 11.70448 
1 1 1    9    8   24 o  554.307   8.4099  2096.53   59.977  2053.87  101.848  2119.18   74.209  549.776   13.670  558.839   9.7991 -9.062927 16.81971 
1 1 1    9    8   25 o  535.221   8.1963  1945.20   56.275  1945.32   96.653  1945.15   69.218  535.043   13.330  535.398   9.5402 -0.3549805 16.39257 
1 1 1    9    8   26 o  560.466   8.6335  2184.25   62.746  1947.61  101.939  2328.59   79.614  535.214   14.055  585.719   10.030 -50.50549 17.26709 
1 1 1    9    8   27 o  637.545   9.4256  2738.79   76.374  2833.38  134.717  2694.00   92.713  645.231   15.407  629.860   10.862 15.37115 18.85121 
1 1 1    9    8   28 o  148.286   4.3402  149.182   8.7118  150.968   12.080  147.246   12.576  149.214   5.9741  147.358   6.2977 1.856537 8.680438 
1 1 1    9    8   29 o  219.187   4.3921  326.004   13.038  335.315   18.302  316.413   18.576  222.370   6.0736  216.004   6.3463 6.366577 8.784295 
1 1 1    9    8   30 o  326.408   4.9967  722.827   22.098  735.507   31.206  710.072   31.298  329.284   6.9932  323.532   7.1387 5.751465 9.993333 
1 1 1    9    8   31 o  259.083   4.5887  455.399   16.099  477.664   22.849  433.451   22.686  265.379   6.3535  252.787   6.6224 12.59109 9.177378 
1 1 1    9    8   32 o  590.353   14.477  2374.77  115.819   0.0000   0.0000  2374.77  115.819  ?   ?   590.353   14.477      ?      ? 
1 1 1    9    8   33 o  391.861   6.7318  1050.54   33.774  1066.17   41.619  1020.39   57.800  396.334   7.7490  387.389   11.010 8.944550 13.46367 
1 1 1    9    8   34 o  452.640   8.5698  1391.38   52.566   0.0000   0.0000  1391.38   52.566  ?   ?   452.640   8.5698      ?      ? 
1 1 1    9    8   35 o  707.214   8.4006  3401.65   80.468  3310.73  111.622  3500.03  116.107  697.402   11.811  717.025   11.949 -19.62268 16.80128 
1 1 1    9    8   36 o  407.965   5.6316  1129.84   31.125  1114.35   43.395  1146.24   44.668  405.094   7.9049  410.836   8.0231 -5.741913 11.26313 
1 1 1    9    8   37 o  190.457   4.3466  246.356   11.207  252.678   15.630  239.668   16.077  192.982   5.9769  187.933   6.3127 5.048523 8.693266 
1 1 1    9    8   38 o  358.233   5.2553  871.073   25.502  858.895   35.485  884.083   36.676  355.652   7.3627  360.814   7.5010 -5.162506 10.51067 
1 1 1    9    8   39 o  177.110   4.3358  212.970   10.394  214.972   14.394  210.788   15.025  177.987   5.9677  176.232   6.2914 1.755493 8.671559 
1 1 1    9    8   40 o  136.748   5.5724  128.329   9.4398  130.259   11.307  123.888   17.150  138.541   6.0225  134.955   9.3775 3.585342 11.14485 
1 1 1    9    8   41 o  185.229   6.3584  232.913   15.960   0.0000   0.0000  232.913   15.960  ?   ?   185.229   6.3584      ?      ? 
1 1 1    9    8   42 o  261.937   4.6543  465.638   16.512  458.923   22.906  472.900   23.822  259.979   6.5018  263.895   6.6615 -3.915436 9.308573 
1 1 1    9    8   43 o  167.943   4.3986  191.316   9.9991  187.991   13.765  195.029   14.549  166.406   6.1042  169.480   6.3348 -3.073502 8.797239 
1 1 1    9    8   44 f  248.467   4.6195  419.446   15.542  439.174   22.017  399.851   21.943  254.305   6.3890  242.628   6.6738 11.67668 9.238962 
1 1 1    9    8   45 o  118.160   5.5444   90.762   8.6249  112.997   14.449   78.454   10.750  128.884   8.2730  107.436   7.3839 21.44843 11.08889 
1 1 1    9    8   46 o  165.694   8.8908  186.916   19.963   0.0000   0.0000  186.916   19.963  ?   ?   165.694   8.8908      ?      ? 
1 1 1    9    8   47 o  265.744   5.9546  490.217   20.423  447.685   33.768  514.748   25.645  256.275   9.7235  275.212   6.8762 -18.93729 11.90916 
1 1 1    9    8   48 o  278.923   5.9220  511.797   20.739  484.532   24.711  576.747   38.139  266.999   6.8297  290.847   9.6767 -23.84747 11.84409 
1 1 1    9    8   49 o  137.298   6.7343  129.172   12.439  146.621   17.568  111.625   17.616  146.704   8.8367  127.893   10.164 18.81154 13.46861 
1 1 1    9    8   50 o  141.532   6.6511  136.164   12.757   0.0000   0.0000  136.164   12.757  ?   ?   141.532   6.6511      ?      ? 
1 1 1    9    8   51 o  148.898   4.6336  150.787   9.3438  153.448   13.063  148.000   13.370  150.254   6.4157  147.542   6.6872 2.711288 9.267138 
1 1 1    9    8   52 o  166.861   5.5827  190.297   11.866  191.699   14.522  187.479   20.584  167.932   6.3814  165.790   9.1620 2.141739 11.16531 
1 1 1    9    8   53 o  125.909   4.9510  108.209   8.4174  116.768   11.781   99.282   12.031  131.038   6.6343  120.780   7.3508 10.25858 9.901914 
1 1 1    9    8   54 o  158.455   4.6136  170.723   9.9027  169.969   13.797  171.524   14.221  158.102   6.4398  158.808   6.6082 -0.7064056 9.227136 
1 1 1    9    8   55 f  158.183   6.6990  170.225   14.360   0.0000   0.0000  170.225   14.360  ?   ?   158.183   6.6990      ?      ? 
1 1 1    9    8   56 o  160.930   4.6417  176.182   10.119  175.637   14.113  176.758   14.516  160.682   6.4816  161.177   6.6459 -0.4952087 9.283316 
1 1 1    9    8   57 o   66.946   8.7206   32.606   7.1691   34.856   8.7734   28.085   12.437   71.427   9.0641   62.465   14.901 8.961769 17.44118 
1 1 1    9    8   58 o  145.180   6.0408  146.089   11.045  150.000   13.450  137.993   19.354  148.428   6.6867  141.931   10.062 6.497437 12.08154 
1 1 1    9    8   59 o  212.951   4.7356  308.750   13.663  302.760   19.070  315.068   19.584  210.833   6.6747  215.068   6.7196 -4.234894 9.471267 
1 1 1    9    8   60 o  259.151   4.8889  457.829   17.169  456.484   24.170  459.200   24.392  258.772   6.8926  259.531   6.9354 -0.7589417 9.777894 
1 1 1    9    8   61 o  235.388   4.8021  377.875   15.318  378.808   21.602  376.932   21.723  235.686   6.7635  235.089   6.8188 0.5967712 9.604242 
1 1 1    9    8   62 o  147.719   6.0294  151.075   11.315  144.966   19.578  154.138   13.864  145.153   9.9533  150.284   6.8076 -5.131226 12.05871 
1 1 1    9    8   63 o  153.903   6.8128  161.774   14.209   0.0000   0.0000  161.774   14.209  ?   ?   153.903   6.8128      ?      ? 
1 1 1    9    8   64 o  143.686   4.9567  141.079   9.6471  145.758   13.889  136.717   13.410  145.984   7.0209  141.388   6.9987 4.595993 9.913366 
1 1 1    9    8   65 o  148.683   4.8901  151.313   9.8524  150.140   13.960  152.478   13.907  148.100   6.9556  149.266   6.8754 -1.165787 9.780128 
1 1 1    9    8   66 o  127.634   5.0409  111.691   8.7072  104.159   12.205  119.497   12.425  123.213   7.3098  132.054   6.9434 -8.840706 10.08187 
1 1 1    9    8   67 o  159.714   4.8343  174.938   10.463  177.197   14.861  172.719   14.732  160.740   6.8226  158.688   6.8508 2.051926 9.668593 
1 1 1    9    8   68 o   80.334   7.7031   46.357   7.9105   49.073   9.8789   41.503   13.206   84.190   8.6590   76.477   12.743 7.712173 15.40621 
1 1 1    9    8   69 o  154.766   4.9020  164.827   10.280  165.879   14.476  163.756   14.601  155.282   6.8795  154.249   6.9851 1.033157 9.804033 
1 1 1    9    8   70 o   96.967   5.7500   65.176   7.5529   62.903   10.535   67.580   10.834   95.220   8.1646   98.715   8.0986 -3.494919 11.49993 
1 1 1    9    8   71 o   78.687   6.4771   43.504   6.8423   36.544   9.5972   50.699   9.7577   72.071   9.8265   85.303   8.4411 -13.23167 12.95427 
1 1 1    9    8   72 o   46.714   8.4463   15.993   5.9383   26.097   8.4410   6.0923   8.3557   59.753   10.823   33.676   12.970 26.07660 16.89259 
1 1 1    9    8   73 o  108.929   6.8635   85.575   9.3584   88.389   11.388   79.723   16.423  112.710   7.4562  105.148   11.525 7.562332 13.72700 
1 1 1    9    8   74 o   68.722   8.5810   29.477   7.2829   19.860   8.5834   54.200   13.762   51.119   12.496   86.324   11.764 -35.20409 17.16196 
1 1 1    9    8   75 o   63.317   7.5808   29.244   6.3721   27.845   8.7978   30.787   9.2416   61.248   11.004   65.387   10.430 -4.139534 15.16163 
1 1 1    9    8   76 o  150.174   6.1052  158.199   11.864  165.625   20.154  154.261   14.677  151.893   9.7913  148.455   7.2956 3.438049 12.21047 
1 1 1    9    8   77 o   49.781   9.9931   18.032   6.9507   27.098   11.658   13.031   8.6579   58.130   14.769   41.432   13.466 16.69739 19.98626 
1 1 1    9    8   78 o   57.698   12.036   25.547   9.1062   0.0000   0.0000   25.547   9.1062  ?   ?    57.698   12.036      ?      ? 
1 1 1    9    8   79 o   53.460   8.8996   25.075   7.4859   4.4200   12.296   37.238   9.4359   35.242   14.915   71.679   9.7143 -36.43709 17.79929 
1 1 1    9    8   80 o   45.837   10.171   16.917   6.9554   16.000   11.321   17.473   8.8154   44.823   15.412   46.851   13.278 -2.028297 20.34263 
1 1 1    9    8   81 o   66.443   10.262   34.701   9.7114   16.213   12.900   58.884   14.754   45.039   16.359   87.847   12.394 -42.80802 20.52330 
1 1 1    9    8   82 o   42.621   10.979   14.038   8.5013   18.785   11.632   8.5955   12.455   47.321   15.619   37.920   15.432 9.400368 21.95715 
1 1 1    9    8   83 o   63.192   11.139   34.002   9.5970   26.675   12.957   42.907   14.284   55.056   16.250   71.327   15.241 -16.27126 22.27840 
1 1 1    9    8   84 o   30.790   9.6571   0.3738   8.1077   3.4825   11.149  -3.1152   11.812   32.468   13.983   29.113   13.323 3.354776 19.31418 
1 1 1    9    8   85 o   37.433   10.753   9.3521   8.5567   6.6993   11.713   12.388   12.530   34.950   14.661   39.916   15.735 -4.966915 21.50654 
1 1 1    9    8   86 o   44.977   11.786   18.751   9.5516   19.560   13.442   17.925   13.575   45.726   16.685   44.229   16.651 1.496269 23.57211 
1 1 1    9    8   87 o   30.901   13.882   1.3050   12.120   1.3050   12.120   0.0000   0.0000   30.901   13.882  ?   ?       ?      ? 
1 1 1    9    8   88 o   41.272   11.322   15.447   9.2972   9.1559   12.759   22.570   13.576   35.777   15.170   46.766   16.810 -10.98919 22.64311 
1 1 1    9    8   89 o   35.188   10.563   9.4265   8.8142   7.3265   12.822   11.308   12.136   33.921   14.799   36.456   15.077 -2.534866 21.12669 
1 1 1    9    9    1 o  733.078   10.712  3721.86  101.449  3910.33  127.532  3397.08  167.415  759.120   12.397  707.036   17.473 52.08472 21.42430 
1 1 1    9    9    2 o  781.605   11.201  4094.05  110.353  4002.07  132.780  4299.47  198.431  767.933   12.759  795.277   18.412 -27.34369 22.40114 
1 1 1    9    9    3 o  567.838   8.6848  2191.15   62.648  2197.12   76.363  2178.86  109.562  569.170   9.9006  566.506   14.272 2.663879 17.36955 
1 1 1    9    9    4 o  376.438   5.3599  960.489   27.337  950.690   38.205  970.769   39.131  374.473   7.5286  378.404   7.6311 -3.931030 10.71977 
1 1 1    9    9    5 o  175.607   4.2736  209.047   10.162  209.576   14.104  208.476   14.654  175.840   5.9190  175.375   6.1660 0.4646606 8.547200 
1 1 1    9    9    6 o  442.505   5.9079  1324.41   35.380  1417.87   51.438  1240.50   48.741  457.285   8.3007  427.724   8.4091 29.56073 11.81581 
1 1 1    9    9    7 o  441.072   5.8827  1319.16   35.159  1337.55   49.766  1300.84   49.679  444.142   8.2686  438.002   8.3699 6.140015 11.76535 
1 1 1    9    9    8 o  370.911   5.3151  932.607   26.710  926.656   37.364  938.828   38.198  369.703   7.4579  372.119   7.5750 -2.416626 10.63015 
1 1 1    9    9    9 o  271.312   4.6640  499.303   17.137  511.754   24.026  486.407   24.451  274.761   6.4527  267.864   6.7359 6.896393 9.327915 
1 1 1    9    9   10 o  523.853   7.7256  1861.47   46.939  1861.06   53.894  1862.76   95.526  523.917   7.5910  523.790   13.458 0.1274414 15.45122 
1 1 1    9    9   11 o  435.562   6.8395  1289.95   34.508  1292.85   39.622  1280.85   70.223  436.701   6.6953  434.423   11.928 2.278198 13.67898 
1 1 1    9    9   12 o  876.853   11.693  5222.45  119.755  5218.25  137.959  5235.27  241.206  876.868   11.610  876.838   20.300 0.3039551E-01 23.38515 
1 1 1    9    9   13 o  713.055   9.7719  3406.06   80.454  3364.03   91.918  3543.74  166.359  704.212   9.6320  721.898   17.005 -17.68585 19.54375 
1 1 1    9    9   14 o  387.418   6.4221  1020.08   28.708  1021.91   32.899  1014.22   58.775  388.259   6.2529  386.578   11.219 1.680115 12.84422 
1 1 1    9    9   15 o  397.060   6.5027  1076.97   29.886  1084.02   34.341  1054.95   60.675  399.877   6.3373  394.244   11.357 5.633240 13.00550 
1 1 1    9    9   16 o  347.735   6.0612  820.311   24.268  820.468   27.774  819.802   49.902  347.897   5.8912  347.572   10.595 0.3255615 12.12242 
1 1 1    9    9   17 o  233.222   5.3011  362.303   14.064  356.971   15.953  380.904   29.795  229.488   5.1298  236.957   9.2787 -7.468857 10.60228 
1 1 1    9    9   18 o  138.423   5.5328  126.301   9.2956  122.011   10.851  138.128   18.017  134.156   5.9688  142.689   9.3177 -8.532654 11.06551 
1 1 1    9    9   19 o  144.629   5.4960  138.980   9.6946  135.414   11.373  148.461   18.543  141.332   5.9380  147.927   9.2502 -6.595383 10.99207 
1 1 1    9    9   20 o  292.592   5.6341  574.878   18.853  569.966   21.466  591.450   39.428  289.965   5.4629  295.220   9.8554 -5.255798 11.26820 
1 1 1    9    9   21 o  399.347   6.5332  1089.86   30.251  1097.19   34.790  1067.15   61.251  402.268   6.3821  396.427   11.402 5.840668 13.06634 
1 1 1    9    9   22 o  174.349   5.6482  211.261   12.296  219.948   14.922  192.885   21.702  180.111   6.1136  168.587   9.4991 11.52368 11.29644 
1 1 1    9    9   23 o  391.515   6.8313  1037.01   33.874  1030.86   41.089  1050.06   59.851  389.830   7.7779  393.199   11.233 -3.369232 13.66258 
1 1 1    9    9   24 o  316.272   6.1095  685.623   24.761  657.378   42.158  700.498   30.594  311.168   9.9977  321.375   7.0250 -10.20657 12.21908 
1 1 1    9    9   25 o  323.841   5.0075  711.118   21.967  740.171   31.351  683.102   30.787  330.340   7.0035  317.342   7.1591 12.99802 10.01505 
1 1 1    9    9   26 o  389.581   5.4840  1026.99   28.911  974.989   39.642  1086.08   42.255  379.077   7.7170  400.085   7.7938 -21.00772 10.96790 
1 1 1    9    9   27 o  117.225   4.5961   93.418   7.2795   96.576   10.023   89.893   10.589  119.332   6.1984  115.118   6.7880 4.213852 9.192212 
1 1 1    9    9   28 o  158.221   5.1255  168.133   10.401  164.647   12.726  175.144   18.049  155.810   6.0273  160.632   8.2918 -4.821930 10.25092 
1 1 1    9    9   29 o  169.710   5.1413  194.096   11.154  191.455   13.624  199.464   19.424  168.012   5.9839  171.408   8.3621 -3.396698 10.28255 
1 1 1    9    9   30 o  248.110   4.5484  417.770   15.285  432.707   21.600  402.789   21.632  252.559   6.3111  243.661   6.5513 8.898926 9.096708 
1 1 1    9    9   31 o  444.422   5.9536  1340.67   35.845  1316.90   49.963  1365.88   51.456  440.371   8.3724  448.473   8.4667 -8.102417 11.90724 
1 1 1    9    9   32 o  461.468   6.1083  1446.47   38.195  1472.85   54.196  1420.43   53.837  465.656   8.5885  457.280   8.6880 8.375610 12.21653 
1 1 1    9    9   33 o  343.703   5.1694  802.034   24.072  823.419   34.089  780.765   33.996  348.281   7.2227  339.125   7.3975 9.155975 10.33877 
1 1 1    9    9   34 o  315.754   4.9519  676.824   21.184  678.391   29.666  675.194   30.260  316.133   6.9248  315.375   7.0805 0.7587585 9.903850 
1 1 1    9    9   35 o  149.835   4.4129  152.648   8.9405  158.142   12.386  146.674   12.918  152.664   5.9872  147.006   6.4845 5.657700 8.825857 
1 1 1    9    9   36 o  167.028   4.3773  188.895   9.8931  181.588   13.547  197.244   14.481  163.579   6.1115  170.478   6.2684 -6.898895 8.754593 
1 1 1    9    9   37 o  222.400   4.4534  335.430   13.412  328.420   18.551  343.109   19.414  219.972   6.2231  224.828   6.3722 -4.856094 8.906816 
1 1 1    9    9   38 o  204.322   4.4085  283.586   12.195  289.473   17.003  277.350   17.501  206.517   6.0757  202.128   6.3893 4.389252 8.816933 
1 1 1    9    9   39 o  301.257   6.0754  617.677   23.066  618.589   27.910  615.709   40.968  301.808   6.8241  300.705   10.054 1.103119 12.15078 
1 1 1    9    9   40 o  196.012   5.6130  265.736   13.731  273.348   16.601  249.250   24.430  200.663   6.1050  191.361   9.4208 9.301666 11.22600 
1 1 1    9    9   41 o  226.144   4.5317  346.483   13.872  328.780   19.089  366.291   20.192  220.038   6.4018  232.250   6.4158 -12.21207 9.063408 
1 1 1    9    9   42 o  202.394   5.4555  282.544   14.286  264.367   23.665  292.966   17.920  197.090   8.8607  207.699   6.3669 -10.60934 10.91095 
1 1 1    9    9   43 o  119.971   4.7382   98.049   7.6792  105.920   10.789   89.968   10.932  124.879   6.3756  115.063   7.0110 9.816261 9.476460 
1 1 1    9    9   44 o  170.688   9.3915  198.486   21.723   0.0000   0.0000  198.486   21.723  ?   ?   170.688   9.3915      ?      ? 
1 1 1    9    9   45 o  214.508   5.7190  322.570   15.757  280.992   25.939  346.889   19.838  203.059   9.4263  225.958   6.4785 -22.89944 11.43796 
1 1 1    9    9   46 o  262.836   5.7482  459.090   19.317  503.341   34.107  438.194   23.438  271.766   9.2611  253.907   6.8118 17.85892 11.49646 
1 1 1    9    9   47 o  299.143   4.9641  607.681   20.110  585.355   27.856  631.985   29.063  293.413   7.0057  304.872   7.0347 -11.45871 9.928102 
1 1 1    9    9   48 o  215.491   5.6238  321.742   15.478  333.981   19.153  298.695   26.281  221.684   6.3755  209.298   9.2661 12.38564 11.24754 
1 1 1    9    9   49 o  229.181   6.4661  358.183   20.081  355.710   28.435  360.644   28.364  228.385   9.1875  229.977   9.1011 -1.592392 12.93215 
1 1 1    9    9   50 o  232.605   6.5175  369.118   20.542  373.705   29.005  364.503   29.097  234.067   9.1444  231.143   9.2893 2.924240 13.03499 
1 1 1    9    9   51 o   52.762   9.6117   17.704   6.7979   12.093   8.3484   28.744   11.711   42.111   13.171   63.413   14.002 -21.30167 19.22332 
1 1 1    9    9   52 o  211.464   4.6165  304.109   13.227  304.365   18.543  303.845   18.872  211.561   6.4680  211.366   6.5888 0.1952209 9.232924 
1 1 1    9    9   53 o  189.277   6.5220  243.677   16.729   0.0000   0.0000  243.677   16.729  ?   ?   189.277   6.5220      ?      ? 
1 1 1    9    9   54 o   97.681   5.4169   65.260   7.1423   70.265   9.9602   59.962   10.247  101.581   7.2356   93.782   8.0632 7.798904 10.83371 
1 1 1    9    9   55 o  137.057   4.8028  127.831   8.9181  126.005   12.448  129.757   12.783  136.056   6.7516  138.058   6.8325 -2.002762 9.605588 
1 1 1    9    9   56 o   43.773   8.9949   13.422   5.7576   16.693   8.0675   10.028   8.2196   48.321   12.291   39.226   13.136 9.095379 17.98978 
1 1 1    9    9   57 o  154.583   5.8217  157.810   11.405  148.747   13.691  178.354   20.613  147.761   6.8376  161.405   9.4241 -13.64333 11.64330 
1 1 1    9    9   58 o  102.611   6.7510   73.109   8.7421   74.852   10.659   69.526   15.280  104.729   7.5102  100.493   11.221 4.236069 13.50205 
1 1 1    9    9   59 o  143.912   5.7690  136.211   10.708  159.202   18.779  125.134   13.035  152.405   9.0925  135.420   7.1029 16.98479 11.53796 
1 1 1    9    9   60 o   71.782   8.2591   32.705   7.4809   52.862   12.944   22.596   9.1667   87.527   10.913   56.037   12.400 31.49043 16.51820 
1 1 1    9    9   61 o  115.729   5.1739   91.486   8.1007   84.385   11.278   99.056   11.644  111.069   7.4927  120.390   7.1370 -9.321091 10.34781 
1 1 1    9    9   62 o  197.268   4.7298  265.634   12.634  251.701   17.597  280.459   18.152  191.914   6.7663  202.621   6.6107 -10.70659 9.459599 
1 1 1    9    9   63 o   53.249   9.4926   22.334   7.1649   10.354   12.643   28.001   8.6961   42.881   16.084   63.617   10.087 -20.73577 18.98522 
1 1 1    9    9   64 o   91.551   7.2306   59.023   8.3761   55.608   14.505   60.732   10.260   89.127   12.009   93.976   8.0563 -4.848473 14.46124 
1 1 1    9    9   65 o   97.387   6.7025   65.620   8.4356   65.358   10.462   66.106   14.262   97.438   7.9229   97.335   10.813 0.1032333 13.40493 
1 1 1    9    9   66 o   73.090   6.6556   37.201   6.5704   40.215   9.2334   34.108   9.3516   76.184   8.9436   69.995   9.8591 6.188744 13.31125 
1 1 1    9    9   67 o   48.068   8.9113   17.017   5.9247   14.093   8.3605   19.966   8.3973   44.016   13.068   52.120   12.119 -8.104298 17.82253 
1 1 1    9    9   68 o  140.306   4.9725  135.679   9.4533  138.280   13.386  133.090   13.353  141.668   6.9725  138.944   7.0915 2.723495 9.945095 
1 1 1    9    9   69 o  138.076   5.0340  131.698   9.4185  130.066   13.333  133.324   13.307  137.203   7.1710  138.949   7.0669 -1.746582 10.06798 
1 1 1    9    9   70 o   73.091   6.7710   37.585   6.7036   39.163   9.5797   36.071   9.3840   74.622   9.4733   71.560   9.6769 3.062378 13.54197 
1 1 1    9    9   71 o   87.088   6.0680   53.172   7.1562   55.446   10.127   50.903   10.114   89.011   8.3954   85.166   8.7634 3.845665 12.13595 
1 1 1    9    9   72 o   82.532   6.3038   47.914   6.9926   40.191   9.6315   56.522   10.168   75.320   9.4362   89.743   8.3612 -14.42259 12.60757 
1 1 1    9    9   73 o   38.881   9.3608   10.621   6.7329   16.676   8.1261  -2.6384   12.025   46.759   12.558   31.002   13.885 15.75639 18.72153 
1 1 1    9    9   74 o  155.500   7.2316  174.610   15.188  183.394   21.049  165.071   21.936  160.049   9.7050  150.952   10.724 9.096863 14.46314 
1 1 1    9    9   75 o   91.866   7.5751   61.928   8.8937   59.520   15.100   63.206   11.005   89.368   12.469   94.365   8.6058 -4.996696 15.15027 
1 1 1    9    9   76 o   69.386   8.9193   35.950   7.8924   39.112   13.198   34.190   9.8471   70.317   14.336   68.455   10.615 1.862297 17.83851 
1 1 1    9    9   77 o   59.809   9.7416   29.626   7.7907   21.674   12.820   34.283   9.8098   51.187   16.361   68.430   10.579 -17.24291 19.48326 
1 1 1    9    9   78 f   40.323   15.811   10.737   12.589   0.0000   0.0000   10.737   12.589  ?   ?    40.323   15.811      ?      ? 
1 1 1    9    9   79 o   85.371   13.268   56.304   15.349   0.0000   0.0000   56.304   15.349  ?   ?    85.371   13.268      ?      ? 
1 1 1    9    9   80 o   49.499   10.598   20.275   8.5363   30.132   11.682   8.9816   12.504   60.590   14.434   38.409   15.523 22.18102 21.19659 
1 1 1    9    9   81 o   36.701   10.345   7.3789   8.2700   14.036   11.071  -1.0252   12.439   42.091   15.175   31.311   14.065 10.77995 20.69098 
1 1 1    9    9   82 o   29.775   9.3821  -0.9074   7.8464   3.5023   10.464  -6.5722   11.860   31.979   13.654   27.571   12.871 4.407951 18.76413 
1 1 1    9    9   83 o   32.511   9.7315  -1.8543   8.2230 -14.2943   10.915   14.475   12.505   22.992   11.162   42.030   15.944 -19.03793 19.46294 
1 1 1    9    9   84 o   65.363   11.452   38.692   10.091   35.793   13.876   41.945   14.702   62.616   16.222   68.109   16.170 -5.493008 22.90441 
1 1 1    9    9   85 o   42.535   11.508   16.133   9.3631   19.424   13.154   12.753   13.331   45.393   16.514   39.677   16.031 5.715836 23.01516 
1 1 1    9    9   86 o   39.993   10.992   12.854   9.1390   3.7970   12.870   22.067   12.980   32.779   14.542   47.208   16.487 -14.42889 21.98394 
1 1 1    9    9   87 f   52.211   12.499   29.877   10.560   30.983   14.298   28.550   15.664   54.005   17.280   50.418   18.064 3.587181 24.99835 
1 1 1    9   10    0 o  552.702   6.9162  2069.45   51.763  1998.46   71.550  2147.41   74.978  542.773   9.7277  562.630   9.8339 -19.85693 13.83234 
1 1 1    9   10    1 o  685.803   8.1939  3188.89   76.112  3303.87  109.719  3082.24  105.671  697.705   11.605  673.901   11.571 23.80426 16.38772 
1 1 1    9   10    2 o  562.662   6.9986  2146.82   53.348  2109.90   74.387  2185.93   76.551  557.687   9.8429  567.638   9.9517 -9.950317 13.99713 
1 1 1    9   10    3 o  518.558   6.5943  1824.07   46.338  1833.76   65.419  1814.30   65.646  519.944   9.2846  517.173   9.3667 2.771240 13.18861 
1 1 1    9   10    4 o  392.828   5.5280  1046.11   29.419  1081.74   41.962  1011.67   41.258  399.408   7.7527  386.249   7.8823 13.15854 11.05603 
1 1 1    9   10    5 o  465.404   6.1273  1468.56   38.635  1512.27   55.173  1426.49   54.119  472.200   8.6222  458.608   8.7081 13.59183 12.25453 
1 1 1    9   10    6 o  452.825   6.0121  1390.35   36.886  1373.53   51.554  1407.99   52.797  450.023   8.4536  455.628   8.5510 -5.604767 12.02427 
1 1 1    9   10    7 o  240.595   4.5458  391.494   14.803  372.457   20.338  412.940   21.586  234.391   6.4030  246.800   6.4543 -12.40874 9.091584 
1 1 1    9   10    8 o  218.664   4.4704  322.996   13.223  302.661   18.080  346.379   19.388  211.292   6.3146  226.037   6.3295 -14.74525 8.940717 
1 1 1    9   10    9 o  271.421   4.7405  499.190   17.428  490.696   24.211  508.326   25.108  269.027   6.6411  273.814   6.7665 -4.787170 9.481076 
1 1 1    9   10   10 o  478.556   12.770  1555.34   82.813   0.0000   0.0000  1555.34   82.813  ?   ?   478.556   12.770      ?      ? 
1 1 1    9   10   11 o  428.119   7.2391  1249.06   39.053  1258.25   47.314  1229.41   69.175  430.724   8.1060  425.515   11.996 5.209076 14.47827 
1 1 1    9   10   12 f  519.553   9.3893  1833.11   66.057  1815.09   91.464  1852.76   95.503  516.907   13.057  522.198   13.496 -5.290894 18.77852 
1 1 1    9   10   13 o  514.863   8.1464  1797.18   53.196  1792.25   64.659  1807.49   93.581  513.961   9.2836  515.766   13.389 -1.805603 16.29273 
1 1 1    9   10   14 o  609.014   9.1874  2501.56   70.769  2469.32   85.595  2571.21  125.809  603.150   10.472  614.879   15.099 -11.72870 18.37489 
1 1 1    9   10   15 o  375.613   6.7566  956.918   32.019  956.040   38.751  958.807   56.842  375.447   7.6165  375.779   11.162 -0.3316956 13.51322 
1 1 1    9   10   16 o  403.765   7.0107  1109.01   35.809  1113.49   43.497  1099.59   63.081  405.160   7.9223  402.371   11.569 2.788422 14.02138 
1 1 1    9   10   17 o  348.896   6.1602  832.857   24.750  839.163   28.381  812.830   50.574  351.807   5.9531  345.984   10.787 5.822754 12.32033 
1 1 1    9   10   18 o  202.216   5.2853  275.794   12.052  274.541   13.655  280.210   25.634  201.243   5.0070  203.189   9.3095 -1.945709 10.57059 
1 1 1    9   10   19 o  227.399   5.4137  355.230   13.937  358.954   15.876  342.722   29.096  230.106   5.0914  224.693   9.5557 5.413223 10.82742 
1 1 1    9   10   20 o  155.876   5.3033  159.283   9.2513  155.204   10.400  174.753   20.254  151.305   5.0720  160.446   9.3152 -9.140808 10.60650 
1 1 1    9   10   21 o  312.115   5.8333  651.029   20.750  642.703   23.568  679.738   43.762  307.872   5.6489  316.358   10.208 -8.485687 11.66656 
1 1 1    9   10   22 o  428.649   6.6975  1246.31   38.904  1246.31   38.904   0.0000   0.0000  428.649   6.6975  ?   ?       ?      ? 
1 1 1    9   10   23 o  281.724   5.4554  538.182   20.827  538.182   20.827   0.0000   0.0000  281.724   5.4554  ?   ?       ?      ? 
1 1 1    9   10   24 o  351.272   6.2354  819.950   24.712  806.018   27.924  870.271   53.070  344.736   5.9774  357.808   10.945 -13.07172 12.47078 
1 1 1    9   10   25 o  234.498   5.7924  383.771   16.996  402.441   20.708  345.240   29.750  243.574   6.2738  225.422   9.7389 18.15172 11.58477 
1 1 1    9   10   26 o  128.434   5.5293  111.932   8.0142  111.897   9.0932  112.050   16.962  128.456   5.2237  128.413   9.7471 0.4348755E-01 11.05866 
1 1 1    9   10   27 o  283.040   5.9700  541.604   21.202  537.628   25.502  550.505   38.153  281.485   6.6855  284.595   9.8927 -3.110168 11.93992 
1 1 1    9   10   28 o  321.737   5.0126  702.008   21.845  683.200   30.359  722.203   31.458  317.273   7.0611  326.200   7.1165 -8.926239 10.02517 
1 1 1    9   10   29 o  267.907   4.6824  487.113   16.993  504.517   24.111  469.938   23.953  272.668   6.5254  263.146   6.7170 9.522003 9.364718 
1 1 1    9   10   30 o  121.592   4.5893  100.314   7.5573   99.786   10.491  100.883   10.895  121.263   6.3844  121.922   6.5945 -0.6589127 9.178699 
1 1 1    9   10   31 o  117.545   4.5921   93.928   7.3026   98.167   10.205   89.480   10.455  120.274   6.2611  114.816   6.7194 5.457901 9.184287 
1 1 1    9   10   32 o   64.833   6.2436   29.023   5.3985   33.155   7.4019   24.327   7.8907   69.864   7.8183   59.803   9.7367 10.06073 12.48714 
1 1 1    9   10   33 o  157.057   4.3881  167.418   9.3350  167.627   13.009  167.197   13.403  157.162   6.1083  156.952   6.3017 0.2097931 8.776200 
1 1 1    9   10   34 o  166.452   4.3868  188.058   9.8862  188.128   13.696  187.982   14.284  166.490   6.0707  166.413   6.3342 0.7673645E-01 8.773553 
1 1 1    9   10   35 o  141.694   4.5131  135.719   8.6470  125.392   11.808  147.661   12.698  135.905   6.4113  147.483   6.3535 -11.57782 9.026210 
1 1 1    9   10   36 o  303.963   4.9310  627.657   20.300  654.021   28.793  601.601   28.625  310.324   6.8469  297.602   7.0977 12.72174 9.861923 
1 1 1    9   10   37 o  329.814   7.2854  739.865   32.509  720.746   44.501  761.742   47.604  325.289   10.095  334.339   10.507 -9.050110 14.57080 
1 1 1    9   10   38 o  204.333   6.4125  285.087   17.698  303.218   24.623  265.712   25.454  211.120   8.6066  197.545   9.5082 13.57507 12.82500 
1 1 1    9   10   39 o  191.972   4.5113  250.396   11.730  254.966   16.430  245.644   16.753  193.768   6.2570  190.176   6.5005 3.591934 9.022581 
1 1 1    9   10   40 o  178.445   6.4579  217.766   15.541  229.841   21.358  204.178   22.656  183.777   8.5760  173.113   9.6577 10.66464 12.91580 
1 1 1    9   10   41 o  222.839   4.5687  337.207   13.792  332.737   19.214  341.957   19.809  221.321   6.4063  224.357   6.5154 -3.035629 9.137397 
1 1 1    9   10   42 o  190.729   4.4866  247.327   11.587  255.366   16.251  239.016   16.524  193.896   6.1848  187.562   6.5012 6.333801 8.973163 
1 1 1    9   10   43 o  152.630   4.5181  158.044   9.3354  153.366   12.851  163.271   13.584  150.247   6.3119  155.013   6.4664 -4.765839 9.036267 
1 1 1    9   10   44 o  183.381   4.5079  228.188   11.193  220.986   15.445  236.153   16.243  180.343   6.3198  186.420   6.4298 -6.076767 9.015707 
1 1 1    9   10   45 o  158.344   6.3153  170.898   13.549  167.574   19.185  174.206   19.137  156.797   9.0288  159.890   8.8324 -3.093109 12.63057 
1 1 1    9   10   46 o  226.325   6.4419  348.605   19.732  374.237   28.540  325.133   27.311  234.299   8.9887  218.351   9.2300 15.94780 12.88374 
1 1 1    9   10   47 o  257.901   4.7568  451.799   16.616  437.242   23.042  467.567   23.982  253.581   6.7053  262.221   6.7491 -8.640121 9.513694 
1 1 1    9   10   48 o  161.947   6.7243  178.361   14.757   0.0000   0.0000  178.361   14.757  ?   ?   161.947   6.7243      ?      ? 
1 1 1    9   10   49 f  160.302   4.6498  174.706   10.099  172.490   14.117  177.029   14.453  159.265   6.5409  161.340   6.6106 -2.075775 9.299645 
1 1 1    9   10   50 o  142.876   4.7243  138.842   9.1461  137.594   12.823  140.134   13.049  142.225   6.6533  143.527   6.7090 -1.302399 9.448664 
1 1 1    9   10   51 o  111.091   5.1921   84.343   7.7433   98.933   11.066   70.347   10.839  120.580   6.7723  101.603   7.8720 18.97688 10.38426 
1 1 1    9   10   52 o  181.251   4.6289  223.521   11.368  223.174   15.947  223.879   16.210  181.114   6.4975  181.389   6.5946 -0.2744904 9.257717 
1 1 1    9   10   53 o  122.287   5.0475  101.869   8.3544   95.409   11.730  108.520   11.902  118.336   7.3145  126.238   6.9574 -7.902161 10.09490 
1 1 1    9   10   54 o  141.560   6.6537  137.013   12.758  143.153   18.300  131.208   17.795  144.654   9.3354  138.466   9.4836 6.188080 13.30748 
1 1 1    9   10   55 o  204.399   5.7465  291.790   15.101  307.798   18.913  263.636   25.082  212.587   6.5652  196.210   9.4333 16.37682 11.49299 
1 1 1    9   10   56 o  147.933   5.8963  150.613   11.212  146.431   19.024  152.839   13.878  146.132   9.6066  149.734   6.8395 -3.602280 11.79262 
1 1 1    9   10   57 o  119.577   7.4718   99.269   11.998  110.192   16.593   87.299   17.370  126.684   9.6655  112.470   11.397 14.21348 14.94359 
1 1 1    9   10   58 o  179.398   6.0115  226.058   13.508  236.036   16.461  205.488   23.636  186.023   6.5300  172.773   10.095 13.25005 12.02307 
1 1 1    9   10   59 o   75.137   6.5216   38.799   6.6375   38.359   9.2297   39.271   9.5523   74.709   9.1166   75.566   9.3282 -0.8571014 13.04326 
1 1 1    9   10   60 o  111.096   5.3131   84.457   7.9524   72.746   11.023   97.170   11.484  103.009   7.8965  119.184   7.1105 -16.17509 10.62610 
1 1 1    9   10   61 o   58.248   8.0434   24.164   6.2064   20.293   8.7785   28.033   8.7757   52.859   12.459   63.636   10.176 -10.77726 16.08677 
1 1 1    9   10   62 o  115.326   6.1554   89.337   9.3116   82.893   11.608  100.968   15.595  109.839   7.7986  120.813   9.5257 -10.97482 12.31084 
1 1 1    9   10   63 o   88.193   8.7047   55.431   9.7188   77.097   14.353   37.086   13.207  105.320   10.057   71.065   14.211 34.25523 17.40934 
1 1 1    9   10   64 o   71.083   6.6908   35.182   6.4243   32.151   9.1159   38.173   9.0549   67.951   9.8997   74.215   9.0035 -6.263794 13.38154 
1 1 1    9   10   65 o  108.590   5.3448   81.302   7.8295   71.430   10.897   91.835   11.257  101.687   7.9082  115.492   7.1923 -13.80424 10.68966 
1 1 1    9   10   66 o   75.068   6.5518   39.346   6.6201   33.722   9.2281   45.309   9.5023   69.406   9.8114   80.731   8.6857 -11.32534 13.10366 
1 1 1    9   10   67 o   49.628   8.7771   18.379   5.9544   14.591   8.4600   22.098   8.3822   44.475   13.131   54.781   11.650 -10.30671 17.55415 
1 1 1    9   10   68 o   71.003   6.7808   35.442   6.5210   33.938   9.0872   37.038   9.3632   69.432   9.6579   72.573   9.5207 -3.140511 13.56167 
1 1 1    9   10   69 o   68.060   7.3073   33.632   6.4160   25.435   8.9787   42.184   9.1716   58.560   11.723   77.559   8.7263 -18.99920 14.61456 
1 1 1    9   10   70 o   38.240   8.2131   8.3813   5.5466  -1.3274   7.5813   19.563   8.1361   25.486   11.241   50.995   11.977 -25.50872 16.42612 
1 1 1    9   10   71 o   58.415   15.642   27.143   12.629   27.143   12.629   0.0000   0.0000   58.415   15.642  ?   ?       ?      ? 
1 1 1    9   10   72 o  123.247   6.4337  108.803   10.168  105.092   17.225  110.787   12.596  120.639   10.537  125.854   7.3857 -5.215179 12.86735 
1 1 1    9   10   73 f  119.598   7.8321  103.308   12.607   88.635   16.950  121.472   18.860  109.960   11.375  129.236   10.769 -19.27536 15.66425 
1 1 1    9   10   74 o   38.067   10.708   8.1386   8.2808   6.1718   11.321   10.402   12.144   35.944   14.680   40.189   15.592 -4.245049 21.41519 
1 1 1    9   10   75 o   44.064   10.170   12.895   6.8845   23.438   11.948   7.6546   8.4234   53.444   15.556   34.684   13.103 18.75959 20.33908 
1 1 1    9   10   76 o   39.191   10.821   9.6464   8.4092   6.2710   11.823   13.102   11.963   36.170   14.913   42.213   15.682 -6.042751 21.64103 
1 1 1    9   10   77 o   41.851   10.923   12.994   8.3370   16.168   11.207   9.0615   12.475   44.964   15.337   38.738   15.558 6.226341 21.84682 
1 1 1    9   10   78 f   34.634   14.970   3.2491   12.874   0.0000   0.0000   3.2491   12.874  ?   ?    34.634   14.970      ?      ? 
1 1 1    9   10   79 o   35.820   15.193   5.4385   12.806   0.0000   0.0000   5.4385   12.806  ?   ?    35.820   15.193      ?      ? 
1 1 1    9   10   80 o   72.756   10.519   43.484   10.200   34.804   13.822   53.859   15.113   63.224   16.092   82.288   13.553 -19.06433 21.03883 
1 1 1    9   10   81 o   41.844   10.908   11.868   8.9698   1.1174   12.289   24.127   13.123   32.014   14.206   51.675   16.557 -19.66150 21.81599 
1 1 1    9   10   82 o   57.533   11.418   29.806   9.7637   19.044   13.383   42.051   14.276   45.951   16.667   69.115   15.611 -23.16417 22.83570 
1 1 1    9   10   83 o   36.500   10.822   8.2198   9.0857   5.0033   12.728   11.562   12.974   34.103   14.813   38.897   15.780 -4.794132 21.64316 
1 1 1    9   10   84 o   30.651   9.7286   0.8724   8.4806   4.0237   11.724  -2.5866   12.283   32.288   14.117   29.014   13.390 3.273775 19.45727 
1 1 1    9   10   85 o   33.004   10.275   4.6031   8.9364   1.6007   12.259   8.0074   13.054   30.796   13.887   35.212   15.148 -4.415579 20.54977 
1 1 1    9   10   86 o   42.044   11.138   16.735   9.4491   27.111   13.121   5.5581   13.619   50.713   16.582   33.376   14.874 17.33672 22.27541 
1 1 1    9   11    0 o  463.212   7.4045  1429.53   43.839  1536.33   77.140  1378.58   53.280  475.631   11.968  450.793   8.7217 24.83835 14.80896 
1 1 1    9   11    1 o  412.066   6.9028  1150.97   36.766  1156.57   62.227  1147.97   45.570  412.741   11.125  411.392   8.1741 1.348724 13.80555 
1 1 1    9   11    2 o  305.628   5.9647  641.216   23.795  604.426   38.726  663.533   30.161  298.449   9.5751  312.806   7.1152 -14.35715 11.92936 
1 1 1    9   11    3 o  303.467   4.9568  623.980   20.373  609.441   28.250  639.736   29.409  299.789   6.9537  307.146   7.0657 -7.356750 9.913512 
1 1 1    9   11    4 o  468.467   6.2033  1487.02   39.350  1442.10   54.352  1536.50   57.044  461.046   8.6993  475.887   8.8455 -14.84103 12.40652 
1 1 1    9   11    5 o  434.520   5.9158  1280.45   34.824  1265.83   48.547  1295.94   49.981  431.972   8.2932  437.069   8.4386 -5.097443 11.83162 
1 1 1    9   11    6 o  170.180   4.5135  196.242   10.393  194.125   14.268  198.635   15.168  169.206   6.2225  171.155   6.5397 -1.948364 9.027027 
1 1 1    9   11    7 o  376.871   5.4542  963.389   27.847  994.308   39.541  932.963   39.225  382.875   7.6209  370.866   7.8047 12.00845 10.90836 
1 1 1    9   11    8 o  314.788   5.0084  671.866   21.356  666.634   29.716  677.454   30.711  313.524   6.9942  316.051   7.1706 -2.526825 10.01680 
1 1 1    9   11    9 o  235.432   4.6121  375.035   14.693  361.389   20.119  390.631   21.508  230.855   6.4310  240.008   6.6128 -9.152756 9.224276 
1 1 1    9   11   10 o  390.424   5.5696  1033.91   29.456  1028.32   41.030  1039.86   42.312  389.341   7.7767  391.507   7.9752 -2.166473 11.13912 
1 1 1    9   11   11 o  314.301   5.9477  671.794   21.264  673.060   24.219  667.535   44.425  315.071   5.6724  313.530   10.456 1.540833 11.89547 
1 1 1    9   11   12 o  287.141   5.7871  565.670   18.899  571.015   21.565  547.977   39.238  290.208   5.4835  284.073   10.193 6.135193 11.57410 
1 1 1    9   11   13 o  176.441   5.5048  213.743   10.731  215.621   12.105  206.852   23.190  178.341   5.0089  174.541   9.8042 3.799194 11.00963 
1 1 1    9   11   14 o  318.336   6.0596  706.194   22.149  723.376   25.479  653.051   44.809  326.620   5.7564  310.053   10.665 16.56604 12.11913 
1 1 1    9   11   15 o  354.846   6.0228  853.896   28.962  853.896   28.962   0.0000   0.0000  354.846   6.0228  ?   ?       ?      ? 
1 1 1    9   11   16 o  353.793   6.0244  848.864   28.883  848.864   28.883   0.0000   0.0000  353.793   6.0244  ?   ?       ?      ? 
1 1 1    9   11   17 o  256.883   5.3069  447.443   18.474  447.443   18.474   0.0000   0.0000  256.883   5.3069  ?   ?       ?      ? 
1 1 1    9   11   18 o  167.965   5.5499  198.164   10.308  203.368   11.687  179.929   21.878  173.189   4.9797  162.742   9.9201 10.44745 11.09985 
1 1 1    9   11   19 o  136.919   5.6058  130.266   8.5320  132.627   9.6704  121.973   18.126  139.856   5.1025  133.982   9.9832 5.873856 11.21155 
1 1 1    9   11   20 o  195.161   5.3865  262.746   11.871  266.282   13.521  250.849   24.800  198.167   5.0349  192.154   9.5240 6.013351 10.77301 
1 1 1    9   11   21 o  192.216   5.3643  251.229   11.630  251.587   13.199  249.985   24.595  192.618   5.0568  191.814   9.4621 0.8035889 10.72862 
1 1 1    9   11   22 o  235.982   5.4041  360.222   14.382  346.877   16.176  410.558   31.417  226.160   5.2782  245.803   9.4317 -19.64301 10.80818 
1 1 1    9   11   23 o  274.557   5.6422  505.019   17.674  499.302   20.090  524.585   37.167  271.323   5.4640  277.791   9.8733 -6.467621 11.28441 
1 1 1    9   11   24 o   66.232   8.3136   29.995   5.9803   29.656   6.7350   31.258   13.002   66.091   7.5198   66.373   14.829 -0.2819901 16.62714 
1 1 1    9   11   25 o  295.251   5.8265  593.427   19.734  594.566   22.559  589.713   40.726  296.053   5.6229  294.449   10.207 1.604645 11.65299 
1 1 1    9   11   26 o  231.585   5.4969  366.532   14.568  368.551   16.652  359.945   30.079  233.099   5.2716  230.072   9.6475 3.026703 10.99376 
1 1 1    9   11   27 o  295.138   6.1920  604.446   23.080  628.255   28.267  556.825   39.977  304.216   6.8567  286.060   10.313 18.15570 12.38398 
1 1 1    9   11   28 o  142.114   5.5045  135.689   8.9065  134.441   10.121  139.973   18.752  140.777   5.3052  143.450   9.6464 -2.672714 11.00903 
1 1 1    9   11   29 o  255.852   5.5708  444.544   16.355  444.375   18.689  445.100   33.800  255.931   5.3886  255.772   9.7519 0.1592560 11.14161 
1 1 1    9   11   30 o  275.870   5.6713  512.966   17.966  509.296   20.501  525.109   37.294  273.973   5.5219  277.767   9.9078 -3.793854 11.34268 
1 1 1    9   11   31 o  270.053   4.7598  493.042   17.381  458.383   23.690  533.450   25.579  259.819   6.7284  280.287   6.7344 -20.46777 9.519635 
1 1 1    9   11   32 o   42.477   8.4440   12.648   5.0855   14.135   7.1278   11.106   7.2579   44.704   11.648   40.249   12.228 4.455296 16.88797 
1 1 1    9   11   33 o  190.708   5.4167  247.253   13.330  246.917   22.604  247.432   16.505  190.521   8.7552  190.896   6.3803 -0.3751678 10.83331 
1 1 1    9   11   34 o  166.501   5.4187  185.078   11.706  199.884   19.970  177.327   14.449  171.416   8.5969  161.586   6.5988 9.830505 10.83744 
1 1 1    9   11   35 o  185.871   9.5832  235.291   24.138   0.0000   0.0000  235.291   24.138  ?   ?   185.871   9.5832      ?      ? 
1 1 1    9   11   36 o  342.760   7.5046  801.257   34.836  801.009   48.419  801.523   50.158  342.745   10.425  342.776   10.798 -0.3125000E-01 15.00913 
1 1 1    9   11   37 o  121.750   4.8521  100.576   7.9994   95.991   11.079  105.570   11.563  118.855   6.8784  124.646   6.8453 -5.790924 9.704194 
1 1 1    9   11   38 o  134.589   4.6111  123.231   8.3975  127.134   11.685  119.064   12.076  136.808   6.3029  132.371   6.7322 4.436584 9.222181 
1 1 1    9   11   39 o  164.133   4.5276  183.189   10.055  186.399   13.914  179.681   14.547  165.653   6.1983  162.613   6.6014 3.039948 9.055216 
1 1 1    9   11   40 o  239.979   4.6751  391.779   15.180  416.486   21.460  367.036   21.476  247.582   6.3964  232.376   6.8200 15.20627 9.350251 
1 1 1    9   11   41 f  207.210   5.4518  289.325   14.442  283.809   17.623  300.608   25.204  204.369   6.3632  210.050   8.8544 -5.680679 10.90369 
1 1 1    9   11   42 o  167.371   5.5057  193.578   11.755  199.745   14.500  181.759   20.075  171.451   6.2410  163.291   9.0719 8.160034 11.01137 
1 1 1    9   11   43 o  141.973   5.6838  135.569   10.435  142.797   17.837  131.809   12.866  144.717   9.0951  139.229   6.8193 5.488586 11.36766 
1 1 1    9   11   44 f  154.715   5.7351  165.024   11.444  156.342   19.152  169.846   14.272  151.382   9.3361  158.049   6.6637 -6.667236 11.47025 
1 1 1    9   11   45 o  257.461   4.8089  450.954   16.772  463.392   23.685  438.442   23.754  261.038   6.6957  253.884   6.9044 7.154037 9.617802 
1 1 1    9   11   46 f  163.340   4.6449  181.261   10.276  175.041   14.279  187.944   14.801  160.436   6.5676  166.244   6.5700 -5.807663 9.289709 
1 1 1    9   11   47 f  121.997   4.8877  101.343   8.0741  105.134   11.360   97.472   11.478  124.317   6.7429  119.677   7.0777 4.640511 9.775466 
1 1 1    9   11   48 o   44.718   8.6283   13.986   5.5369   9.3070   7.7397   18.890   7.9241   37.954   12.747   51.483   11.632 -13.52876 17.25657 
1 1 1    9   11   49 o   65.591   6.8776   29.386   6.1095   28.067   8.4971   30.797   8.7906   64.066   9.7873   67.117   9.6650 -3.051399 13.75515 
1 1 1    9   11   50 o  234.865   4.7209  374.768   15.012  356.446   20.732  394.963   21.765  228.841   6.6853  240.891   6.6676 -12.04985 9.441892 
1 1 1    9   11   51 o  161.191   4.7035  176.877   10.273  175.769   14.403  178.025   14.657  160.681   6.6146  161.700   6.6887 -1.019211 9.407007 
1 1 1    9   11   52 o  156.611   4.7598  167.001   10.086  180.028   14.437  154.583   14.096  162.596   6.5522  150.626   6.9059 11.96985 9.519607 
1 1 1    9   11   53 o  145.909   5.8307  146.059   10.909  143.677   18.660  147.296   13.447  144.797   9.5098  147.020   6.7493 -2.223083 11.66146 
1 1 1    9   11   54 o   82.953   6.1785   47.128   6.9012   54.336   9.9310   40.396   9.5971   89.139   8.2213   76.767   9.2253 12.37200 12.35702 
1 1 1    9   11   55 f  134.911   4.9968  124.209   9.1323  122.895   12.725  125.605   13.113  134.185   6.9982  135.637   7.1343 -1.451965 9.993635 
1 1 1    9   11   56 o  198.071   6.0311  272.651   14.986  279.061   18.178  259.054   26.475  202.215   6.6336  193.927   10.074 8.288086 12.06219 
1 1 1    9   11   57 o  107.532   6.9407   79.244   9.3619   78.492   11.262   80.925   16.844  107.053   7.7628  108.009   11.508 -0.9559555 13.88136 
1 1 1    9   11   58 o  124.304   7.1372  106.920   12.003  100.306   17.009  113.482   16.941  120.388   10.426  128.220   9.7501 -7.831879 14.27448 
1 1 1    9   11   59 o  103.270   10.370   73.943   14.512   0.0000   0.0000   73.943   14.512  ?   ?   103.270   10.370      ?      ? 
1 1 1    9   11   60 o   84.071   5.9702   48.696   6.7923   45.343   9.5145   52.182   9.6997   81.083   8.6591   87.059   8.2217 -5.975960 11.94047 
1 1 1    9   11   61 o   85.586   5.8942   50.538   6.8360   50.690   9.6440   50.385   9.6912   85.722   8.3020   85.451   8.3691 0.2709503 11.78835 
1 1 1    9   11   62 o   27.944   8.5872  -0.7330   6.0315  -5.2445   10.067   1.7935   7.5333   27.361   12.436   28.526   11.845 -1.164957 17.17431 
1 1 1    9   11   63 f  129.993   6.3948  124.067   10.404   97.581   17.344  138.954   13.003  117.810   10.864  142.176   6.7491 -24.36640 12.78966 
1 1 1    9   11   64 o   69.733   7.1849   35.056   6.4080   25.299   8.9805   45.177   9.1464   58.796   11.683   80.670   8.3667 -21.87424 14.36979 
1 1 1    9   11   65 o   97.228   5.5579   65.603   7.3124   61.245   10.286   70.055   10.397   93.897   8.0839  100.559   7.6297 -6.661850 11.11582 
1 1 1    9   11   66 o   56.436   8.2035   23.554   6.0661   20.531   8.5167   26.667   8.6422   52.457   12.210   60.414   10.960 -7.956993 16.40690 
1 1 1    9   11   67 o   54.750   8.3333   22.314   6.0010   20.910   8.3930   23.782   8.5836   52.878   11.989   56.622   11.577 -3.744579 16.66658 
1 1 1    9   11   68 o   61.154   9.1201   28.588   7.0351   25.877   12.223   29.931   8.6029   57.397   15.396   64.910   9.7804 -7.512138 18.24013 
1 1 1    9   11   69 o   59.768   9.1675   30.126   7.2570   15.943   12.046   38.206   9.0921   46.113   15.895   73.422   9.1380 -27.30872 18.33491 
1 1 1    9   11   70 o   38.697   9.0324   10.118   6.5882  -3.5251   10.845   18.096   8.2939   28.819   13.022   48.576   12.521 -19.75702 18.06471 
1 1 1    9   11   71 o   89.070   7.1014   56.537   8.2776   59.729   13.724   54.712   10.378   90.369   11.207   87.771   8.7250 2.597404 14.20270 
1 1 1    9   11   72 o   84.793   8.4368   57.861   8.5236   39.621   13.690   69.408   10.893   70.536   14.794   99.049   8.1151 -28.51294 16.87356 
1 1 1    9   11   73 o   51.338   15.376   21.483   11.536   21.483   11.536   0.0000   0.0000   51.338   15.376  ?   ?       ?      ? 
1 1 1    9   11   74 o   64.356   14.169   33.129   12.022   33.129   12.022   0.0000   0.0000   64.356   14.169  ?   ?       ?      ? 
1 1 1    9   11   75 o   35.282   10.304   2.8278   8.2438  -4.4155   10.646   13.679   13.029   27.579   12.631   42.985   16.283 -15.40625 20.60757 
1 1 1    9   11   76 o   52.219   11.603   22.656   9.1707   17.938   12.141   28.924   13.994   46.687   15.963   57.751   16.843 -11.06392 23.20568 
1 1 1    9   11   77 o   43.649   11.388   15.082   8.8324   15.126   11.583   15.022   13.652   43.465   15.538   43.834   16.652 -0.3689194 22.77532 
1 1 1    9   11   78 f   86.760   13.468   59.651   15.835   0.0000   0.0000   59.651   15.835  ?   ?    86.760   13.468      ?      ? 
1 1 1    9   11   79 o   92.312   12.812   67.302   16.027   0.0000   0.0000   67.302   16.027  ?   ?    92.312   12.812      ?      ? 
1 1 1    9   11   80 o   42.783   10.802   12.900   9.0392  -0.0576   12.544   26.899   13.037   31.344   14.098   54.221   16.370 -22.87653 21.60396 
1 1 1    9   11   81 o   47.424   11.751   21.057   9.3307   20.836   13.402   21.265   12.999   47.148   16.728   47.701   16.508 -0.5523376 23.50213 
1 1 1    9   11   82 o   39.443   11.022   12.757   8.9131   8.1917   13.053   16.745   12.200   36.061   15.320   42.826   15.851 -6.764324 22.04424 
1 1 1    9   11   83 o   36.221   10.744   9.2676   9.0046   5.6581   12.882   12.717   12.592   33.779   14.783   38.663   15.595 -4.884064 21.48755 
1 1 1    9   11   84 o   36.975   10.659   9.3148   9.2338  -2.1372   13.102   20.618   13.016   29.271   13.619   44.679   16.401 -15.40846 21.31828 
1 1 1    9   12    0 o  500.267   8.0628  1714.97   51.740  1656.21   88.066  1745.94   63.939  493.420   13.171  507.115   9.3041 -13.69522 16.12553 
1 1 1    9   12    1 o  385.346   6.9395  1022.05   34.294  965.087   58.045  1052.59   42.506  376.839   11.366  393.853   7.9641 -17.01437 13.87891 
1 1 1    9   12    2 o  273.463   6.1077  516.313   21.330  480.808   36.273  535.080   26.371  266.068   10.060  280.859   6.9288 -14.79034 12.21542 
1 1 1    9   12    3 o  365.380   5.4195  905.029   26.809  962.085   38.493  851.284   37.360  376.561   7.5433  354.199   7.7835 22.36255 10.83899 
1 1 1    9   12    4 o  466.770   6.2168  1478.36   39.310  1535.49   56.188  1423.60   55.015  475.606   8.7179  457.934   8.8653 17.67126 12.43369 
1 1 1    9   12    5 o  275.965   4.8594  513.997   18.122  481.914   24.533  552.527   26.884  266.539   6.7920  285.391   6.9514 -18.85254 9.718744 
1 1 1    9   12    6 o  312.526   6.0665  652.580   24.061  634.100   29.088  692.622   42.820  305.726   7.0211  319.326   9.8952 -13.60062 12.13304 
1 1 1    9   12    7 o  388.494   6.7493  1008.94   33.236  980.802   40.140  1070.30   59.275  380.166   7.7915  396.822   11.023 -16.65506 13.49855 
1 1 1    9   12    8 f  368.206   6.5886  918.356   30.924  913.759   37.746  927.739   53.928  366.951   7.5908  369.462   10.771 -2.510864 13.17721 
1 1 1    9   12    9 o  342.729   6.2987  762.175   27.070  709.634   32.127  890.798   50.266  323.388   7.3310  362.071   10.245 -38.68365 12.59747 
1 1 1    9   12   10 o  280.797   4.8927  535.288   18.603  544.813   25.933  525.191   26.699  283.381   6.7531  278.214   7.0817 5.167572 9.785473 
1 1 1    9   12   11 o  268.106   5.7184  481.186   17.214  475.972   19.442  500.103   37.033  264.930   5.4153  271.281   10.074 -6.351349 11.43685 
1 1 1    9   12   12 o  338.481   6.1570  773.977   23.705  770.595   26.958  785.509   49.780  337.064   5.9018  339.898   10.807 -2.834076 12.31396 
1 1 1    9   12   13 o  164.603   5.7680  192.286   10.352  198.463   11.698  169.982   22.230  171.078   5.0458  158.129   10.374 12.94926 11.53592 
1 1 1    9   12   14 o  287.470   5.7939  561.622   18.944  562.043   21.570  560.200   39.615  287.872   5.5293  287.068   10.183 0.8032837 11.58774 
1 1 1    9   12   15 o  244.072   5.6907  415.946   15.664  425.679   17.879  383.808   32.488  250.535   5.2661  237.608   10.090 12.92720 11.38136 
1 1 1    9   12   16 o  256.264   5.6476  448.648   16.372  450.900   18.620  440.972   34.372  257.843   5.3289  254.685   9.9590 3.158020 11.29510 
1 1 1    9   12   17 o  141.302   5.4952  131.077   8.6880  127.771   9.7669  143.608   19.017  137.256   5.2510  145.348   9.6548 -8.091751 10.99041 
1 1 1    9   12   18 o  194.808   5.4493  259.976   11.964  261.842   13.594  253.565   25.200  196.489   5.1054  193.127   9.6289 3.362427 10.89866 
1 1 1    9   12   19 o  155.932   5.4669  160.318   9.5570  156.731   10.759  173.734   20.808  152.013   5.2229  159.852   9.6056 -7.839508 10.93374 
1 1 1    9   12   20 f  152.068   5.6167  159.143   9.4653  160.714   10.693  153.456   20.346  153.932   5.1260  150.203   9.9956 3.729309 11.23337 
1 1 1    9   12   21 o  127.523   5.6374  108.534   8.0875  107.040   9.1353  113.951   17.392  125.616   5.3665  129.429   9.9158 -3.812347 11.27487 
1 1 1    9   12   22 o  133.589   5.6200  122.853   8.4712  124.192   9.6393  118.309   17.754  135.308   5.2570  131.871   9.9349 3.436890 11.24006 
1 1 1    9   12   23 o  106.672   6.3005   82.067   7.4018   85.856   8.4285   69.292   15.475  112.493   5.5289  100.850   11.323 11.64311 12.60108 
1 1 1    9   12   24 o  208.760   5.5610  304.499   13.147  311.804   15.035  280.772   27.099  214.391   5.1751  203.128   9.8446 11.26305 11.12192 
1 1 1    9   12   25 o  160.923   5.4270  175.060   9.9283  174.329   11.289  177.556   20.861  160.302   5.1967  161.543   9.5292 -1.241043 10.85409 
1 1 1    9   12   26 o  103.245   6.1435   71.589   7.1662   70.874   8.1163   74.117   15.263  102.191   5.8609  104.300   10.799 -2.108894 12.28697 
1 1 1    9   12   27 o  118.708   5.9228   95.870   7.9533   95.918   9.0357   95.702   16.759  118.888   5.6084  118.528   10.434 0.3599396 11.84553 
1 1 1    9   12   28 o  227.117   5.7710  345.840   16.478  337.976   19.782  363.663   29.782  223.096   6.5433  231.138   9.5081 -8.042267 11.54201 
1 1 1    9   12   29 o  222.879   5.7847  334.531   16.245  329.099   19.568  346.574   29.138  220.137   6.5595  225.621   9.5301 -5.484146 11.56932 
1 1 1    9   12   30 f  151.498   5.6566  159.074   9.8453  161.859   11.309  150.356   20.010  154.434   5.4037  148.562   9.9393 5.871719 11.31324 
1 1 1    9   12   31 o  168.306   6.5947  193.262   15.004  199.589   20.723  186.292   21.752  171.241   8.9301  165.370   9.7065 5.870422 13.18948 
1 1 1    9   12   32 o  241.374   5.8605  392.581   17.755  386.475   21.323  406.389   32.065  238.521   6.5968  244.227   9.6884 -5.705902 11.72109 
1 1 1    9   12   33 o  127.101   6.1407  109.261   9.7005  108.214   11.576  111.731   17.776  126.199   6.7690  128.003   10.248 -1.803307 12.28141 
1 1 1    9   12   34 o  220.740   5.5114  326.899   13.944  323.019   15.881  339.953   29.130  218.143   5.3722  223.338   9.6250 -5.194733 11.02278 
1 1 1    9   12   35 o  169.276   4.5836  194.577   10.510  191.193   14.602  198.214   15.138  167.754   6.4232  170.797   6.5406 -3.043686 9.167134 
1 1 1    9   12   36 o  103.429   5.9444   73.502   7.9959   75.324   10.059   70.377   13.178  105.258   7.0523  101.600   9.5713 3.658684 11.88883 
1 1 1    9   12   37 o  173.080   5.3527  201.617   12.000  196.587   14.833  211.143   20.413  170.086   6.4356  176.075   8.5552 -5.988464 10.70547 
1 1 1    9   12   38 o  117.350   4.9319   93.654   7.8412   94.536   11.007   92.744   11.173  117.916   6.8884  116.783   7.0601 1.132797 9.863810 
1 1 1    9   12   39 o  260.514   4.7955  461.362   16.919  484.220   24.116  439.207   23.743  266.882   6.6680  254.146   6.8939 12.73619 9.591064 
1 1 1    9   12   40 o  249.506   4.7757  423.004   16.142  411.414   22.468  435.366   23.205  245.979   6.7405  253.034   6.7673 -7.055511 9.551444 
1 1 1    9   12   41 o  316.550   6.2410  674.649   25.279  709.074   44.146  657.853   30.836  322.176   10.111  310.925   7.3184 11.25073 12.48199 
1 1 1    9   12   42 o  157.851   5.6961  162.275   11.599  193.980   20.407  147.142   14.099  168.644   8.9294  147.059   7.0746 21.58447 11.39222 
1 1 1    9   12   43 o  219.340   6.6669  327.220   19.816   0.0000   0.0000  327.220   19.816  ?   ?   219.340   6.6669      ?      ? 
1 1 1    9   12   44 o   99.188   5.4330   66.896   7.2941   62.602   10.104   71.569   10.541   95.863   7.7779  102.512   7.5876 -6.649178 10.86592 
1 1 1    9   12   45 o  122.660   4.9813  102.351   8.2590   92.714   11.507  112.590   11.861  116.690   7.2770  128.630   6.8045 -11.94057 9.962692 
1 1 1    9   12   46 f  257.384   6.8587  450.921   23.923   0.0000   0.0000  450.921   23.923  ?   ?   257.384   6.8587      ?      ? 
1 1 1    9   12   47 f  231.395   4.7596  364.402   14.918  379.842   21.266  349.443   20.933  236.234   6.6430  226.556   6.8181 9.677567 9.519229 
1 1 1    9   12   48 o   68.852   7.2299   33.503   6.4116   25.393   9.1092   41.466   9.0261   59.785   11.662   77.919   8.5483 -18.13388 14.45981 
1 1 1    9   12   49 o   35.480   9.7289   5.6092   6.3840   6.1997   11.070   5.3150   7.8143   37.928   14.839   33.033   12.586 4.894825 19.45783 
1 1 1    9   12   50 o  169.510   5.8418  197.812   12.708  191.738   21.617  201.021   15.710  167.267   9.5366  171.753   6.7498 -4.486084 11.68363 
1 1 1    9   12   51 o  154.547   6.7504  162.840   14.138   0.0000   0.0000  162.840   14.138  ?   ?   154.547   6.7504      ?      ? 
1 1 1    9   12   52 o  100.350   5.5266   69.159   7.3985   54.356   10.287   85.023   10.649   89.089   8.5206  111.610   7.0408 -22.52081 11.05317 
1 1 1    9   12   53 o   99.974   5.4786   68.419   7.4031   62.260   10.388   74.776   10.553   95.362   8.0384  104.586   7.4461 -9.223404 10.95720 
1 1 1    9   12   54 o  131.953   4.9840  119.016   8.9112  119.824   12.539  118.191   12.667  132.415   6.9877  131.490   7.1088 0.9249878 9.968082 
1 1 1    9   12   55 o  106.332   7.6075   77.461   10.962   77.461   10.962   0.0000   0.0000  106.332   7.6075  ?   ?       ?      ? 
1 1 1    9   12   56 o  104.216   7.7220   74.513   10.906   74.513   10.906   0.0000   0.0000  104.216   7.7220  ?   ?       ?      ? 
1 1 1    9   12   57 o  107.893   5.3502   79.918   7.8221   80.858   11.064   78.979   11.060  108.535   7.5224  107.251   7.6100 1.284615 10.70040 
1 1 1    9   12   58 o  110.260   5.2924   83.543   7.9075   84.485   11.187   82.603   11.179  110.890   7.4445  109.631   7.5245 1.258202 10.58483 
1 1 1    9   12   59 o  118.618   5.1645   96.689   8.2307   80.682   11.382  114.237   11.917  108.221   7.7609  129.016   6.8160 -20.79548 10.32908 
1 1 1    9   12   60 o   82.400   5.9005   46.980   6.5881   47.131   9.3871   46.834   9.2484   82.520   8.3944   82.280   8.2944 0.2403717 11.80097 
1 1 1    9   12   61 o   60.479   7.7207   26.512   6.1111   21.471   8.7520   31.308   8.5367   53.966   12.248   66.992   9.4034 -13.02549 15.44144 
1 1 1    9   12   62 o  120.244   9.7217  101.362   15.841   0.0000   0.0000  101.362   15.841  ?   ?   120.244   9.7217      ?      ? 
1 1 1    9   12   63 f  106.215   6.5088   78.313   9.0815   76.132   11.448   82.017   14.916  104.641   8.0730  107.789   10.212 -3.147865 13.01756 
1 1 1    9   12   64 o   64.964   7.2095   29.902   6.3462   30.281   8.9590   29.520   8.9909   65.401   10.109   64.526   10.282 0.8747864 14.41893 
1 1 1    9   12   65 o   79.151   7.5379   41.622   7.7938   58.913   13.291   32.560   9.6217   90.743   10.809   67.559   10.510 23.18399 15.07574 
1 1 1    9   12   66 o   93.283   7.3518   64.936   8.6490   53.545   14.366   71.413   10.832   85.538   12.393  101.027   7.9121 -15.48933 14.70370 
1 1 1    9   12   67 o   90.290   11.483   59.338   14.049   59.338   14.049   0.0000   0.0000   90.290   11.483  ?   ?       ?      ? 
1 1 1    9   12   68 o   83.886   7.6206   52.016   8.1640   47.533   13.675   54.499   10.177   80.005   12.613   87.767   8.5563 -7.762054 15.24128 
1 1 1    9   12   69 o   83.125   7.5970   51.153   8.1022   47.095   13.473   53.452   10.141   79.477   12.509   86.773   8.6240 -7.296051 15.19396 
1 1 1    9   12   70 o   96.164   8.2210   68.372   10.709   67.422   14.909   69.385   15.392   95.551   11.514   96.776   11.737 -1.225189 16.44197 
1 1 1    9   12   71 o   62.511   10.824   31.558   9.2227   23.773   12.545   40.714   13.606   53.585   16.030   71.437   14.549 -17.85203 21.64790 
1 1 1    9   12   72 o   59.193   11.118   28.226   8.9978   23.259   11.659   35.540   14.149   53.118   15.340   65.268   16.098 -12.15071 22.23590 
1 1 1    9   12   73 o   79.508   11.916   47.599   12.839   47.599   12.839   0.0000   0.0000   79.508   11.916  ?   ?       ?      ? 
1 1 1    9   12   74 o   97.539   8.6170   70.986   11.273   59.589   14.889   86.293   17.255   88.313   12.441  106.766   11.926 -18.45285 17.23405 
1 1 1    9   12   75 o   36.674   10.266   7.6097   7.9853   13.560   10.855   0.5916   11.789   41.677   15.026   31.672   13.991 10.00509 20.53101 
1 1 1    9   12   76 f   34.164   10.087   4.4772   8.1755   10.416   11.010  -2.8209   12.206   38.362   14.857   29.965   13.648 8.397272 20.17396 
1 1 1    9   12   77 o   27.391   8.9797  -5.9598   7.8638  -9.7746   10.385  -0.8320   12.040   24.117   11.493   30.664   13.801 -6.546745 17.95935 
1 1 1    9   12   78 o   43.906   16.282   16.684   12.884   0.0000   0.0000   16.684   12.884  ?   ?    43.906   16.282      ?      ? 
1 1 1    9   12   79 o   67.702   15.668   41.037   14.089   0.0000   0.0000   41.037   14.089  ?   ?    67.702   15.668      ?      ? 
1 1 1    9   12   80 o   52.651   10.951   25.822   9.4268   11.654   13.398   39.711   13.266   38.710   15.908   66.592   15.054 -27.88156 21.90174 
1 1 1    9   12   81 f   44.197   11.161   17.616   9.4290   5.6381   13.438   29.232   13.234   34.139   15.015   54.255   16.518 -20.11647 22.32239 
1 1 1    9   12   82 o   32.133   14.195   4.5450   12.138   4.5450   12.138   0.0000   0.0000   32.133   14.195  ?   ?       ?      ? 
1 1 1    9   13    0 f  415.627   5.8388  1173.01   32.873  1217.56   46.747  1129.42   46.237  423.447   8.1466  407.806   8.3666 15.64063 11.67761 
1 1 1    9   13    1 o  392.384   5.6609  1042.68   30.054  997.552   41.123  1094.41   44.032  383.304   7.9170  401.464   8.0936 -18.15958 11.32189 
1 1 1    9   13    2 o  184.563   4.6850  229.470   11.673  211.388   15.708  251.774   17.446  176.503   6.5672  192.622   6.6834 -16.11903 9.369956 
1 1 1    9   13    3 o  423.593   5.9074  1216.35   33.868  1175.25   46.498  1262.79   49.428  415.998   8.2482  431.188   8.4591 -15.19019 11.81479 
1 1 1    9   13    4 o  546.311   6.9574  2028.94   51.502  2030.23   72.310  2027.60   73.371  546.501   9.7639  546.120   9.9141 0.3812866 13.91481 
1 1 1    9   13    5 o  431.051   5.9566  1261.88   34.780  1256.29   48.436  1267.83   49.972  430.080   8.3106  432.023   8.5357 -1.942688 11.91320 
1 1 1    9   13    6 o  311.692   5.0874  657.254   21.445  625.974   29.207  693.841   31.587  303.681   7.0972  319.704   7.2909 -16.02319 10.17481 
1 1 1    9   13    7 f  258.748   4.8134  454.751   16.860  464.120   23.469  444.759   24.237  261.516   6.6224  255.981   6.9871 5.535385 9.626829 
1 1 1    9   13    8 f  295.450   6.2193  597.654   23.613  578.631   40.069  607.776   29.228  291.684   10.137  299.216   7.2082 -7.531830 12.43855 
1 1 1    9   13    9 o  309.392   6.3255  660.725   25.250  615.980   42.044  685.967   31.579  300.920   10.310  317.865   7.3311 -16.94455 12.65107 
1 1 1    9   13   10 o  397.025   6.9843  1054.94   35.327  1121.70   62.413  1023.47   42.851  405.886   11.347  388.164   8.1464 17.72156 13.96868 
1 1 1    9   13   11 o  383.713   8.0733  1002.87   41.954  1047.80   59.520  958.503   59.145  392.294   11.196  375.133   11.635 17.16043 16.14670 
1 1 1    9   13   12 f  251.401   6.0387  423.086   18.797  414.070   22.305  445.179   34.918  246.990   6.6640  255.812   10.073 -8.822067 12.07750 
1 1 1    9   13   13 o  235.898   5.9756  375.551   17.445  371.839   20.750  384.501   32.222  234.059   6.5419  237.736   10.002 -3.677170 11.95111 
1 1 1    9   13   14 o  244.570   6.0710  407.808   18.367  409.701   21.919  403.345   33.659  245.679   6.5836  243.460   10.202 2.218369 12.14193 
1 1 1    9   13   15 o  210.188   5.9036  302.275   15.335  305.286   18.311  295.206   28.059  212.082   6.3713  208.294   9.9406 3.787323 11.80716 
1 1 1    9   13   16 o  303.085   6.2483  613.083   23.627  595.981   28.157  653.786   43.438  296.262   7.0133  309.908   10.343 -13.64658 12.49661 
1 1 1    9   13   17 o  334.883   6.5727  772.022   27.730  788.599   33.720  737.396   48.735  340.750   7.3025  329.017   10.930 11.73224 13.14539 
1 1 1    9   13   18 f  182.004   5.9023  228.716   13.267  234.058   15.891  216.430   24.100  185.690   6.3151  178.317   9.9734 7.372711 11.80460 
1 1 1    9   13   19 o  122.842   6.4568  105.817   9.6183  110.122   11.438   95.423   17.772  127.354   6.6277  118.330   11.083 9.023705 12.91362 
1 1 1    9   13   20 o  187.478   5.8757  242.728   13.586  248.343   16.256  229.723   24.738  191.265   6.2720  183.691   9.9378 7.573868 11.75147 
1 1 1    9   13   21 o  137.236   6.2008  132.371   10.562  139.565   12.811  117.109   18.661  143.364   6.5942  131.107   10.503 12.25685 12.40155 
1 1 1    9   13   22 o  132.166   6.9529  120.727   12.261  134.362   16.622  104.450   18.160  140.545   8.7273  123.787   10.826 16.75780 13.90572 
1 1 1    9   13   23 o  186.477   6.6459  239.215   16.594  275.459   23.145  200.880   23.803  201.246   8.4869  171.709   10.230 29.53668 13.29189 
1 1 1    9   13   24 o  113.533   6.1830   82.907   8.8264   75.717   10.469  100.579   16.413  105.557   7.3189  121.508   9.9677 -15.95112 12.36608 
1 1 1    9   13   25 o   88.906   7.0320   52.069   7.7886   49.512   9.2310   58.387   14.511   85.330   7.9829   92.481   11.579 -7.150330 14.06401 
1 1 1    9   13   26 o  161.514   6.7116  177.565   14.644  176.300   19.903  179.059   21.623  160.918   9.1270  162.109   9.8429 -1.190826 13.42330 
1 1 1    9   13   27 o   94.912   7.0210   60.459   8.3457   58.995   9.9856   63.850   15.200   93.137   7.9117   96.687   11.601 -3.550285 14.04196 
1 1 1    9   13   28 o  111.444   6.0164   82.675   7.7403   81.047   8.8282   88.089   16.095  109.249   5.9631  113.639   10.451 -4.390663 12.03280 
1 1 1    9   13   29 o   85.563   6.9828   51.014   6.8343   52.017   7.8413   47.843   13.940   87.497   6.6132   83.629   12.300 3.867584 13.96557 
1 1 1    9   13   30 f  106.359   6.6510   81.186   7.7990   84.462   8.8705   70.031   16.369  111.523   5.8694  101.194   11.937 10.32968 13.30197 
1 1 1    9   13   31 o   89.113   6.6348   53.966   8.0121   53.966   8.0121   0.0000   0.0000   89.113   6.6348  ?   ?       ?      ? 
1 1 1    9   13   32 o   97.423   6.4994   64.499   8.5807   64.499   8.5807   0.0000   0.0000   97.423   6.4994  ?   ?       ?      ? 
1 1 1    9   13   33 o  163.059   5.6944  178.967   10.536  177.311   11.957  184.716   22.283  161.595   5.4600  164.523   9.9946 -2.927856 11.38880 
1 1 1    9   13   34 o  189.406   5.6538  243.769   12.201  243.384   13.897  245.066   25.488  189.321   5.4166  189.492   9.9258 -0.1704102 11.30754 
1 1 1    9   13   35 o  149.003   5.8280  148.943   9.9466  147.008   11.323  155.482   20.813  147.116   5.6798  150.889   10.179 -3.772766 11.65600 
1 1 1    9   13   36 o  114.159   6.4425   90.594   8.3522   92.090   9.5456   85.708   17.251  116.415   6.0508  111.903   11.376 4.511787 12.88497 
1 1 1    9   13   37 o  192.249   5.7166  252.837   12.680  253.840   14.543  249.657   25.895  193.314   5.5515  191.183   9.9950 2.131058 11.43320 
1 1 1    9   13   38 o   66.973   9.5722   31.097   8.1187   30.335   9.9651   32.600   14.001   66.574   11.046   67.373   15.636 -0.7997589 19.14430 
1 1 1    9   13   39 o  125.982   7.3392  109.652   12.397  121.107   16.996   96.629   18.123  133.187   9.4169  118.776   11.260 14.41107 14.67835 
1 1 1    9   13   40 o  102.626   6.6862   75.644   8.5994   61.194   14.498   83.487   10.681   94.498   11.322  110.754   7.1166 -16.25567 13.37245 
1 1 1    9   13   41 o  158.473   4.7452  170.575   10.163  188.916   14.687  153.723   14.078  166.653   6.5032  150.293   6.9120 16.35985 9.490392 
1 1 1    9   13   42 o  173.836   6.5451  205.598   15.418   0.0000   0.0000  205.598   15.418  ?   ?   173.836   6.5451      ?      ? 
1 1 1    9   13   43 o  205.179   4.7125  286.405   13.100  294.913   18.728  278.255   18.330  208.164   6.6391  202.193   6.6899 5.971634 9.425065 
1 1 1    9   13   44 o  240.167   4.8409  392.711   15.753  401.734   22.424  383.919   22.135  242.897   6.8125  237.438   6.8793 5.458344 9.681707 
1 1 1    9   13   45 o  120.119   6.3739   95.838   9.6907  106.553   17.497   91.096   11.639  124.648   10.358  115.591   7.4302 9.057724 12.74773 
1 1 1    9   13   46 o  127.816   6.1688  107.316   10.066  124.765   18.023   99.407   12.135  134.908   9.8587  120.724   7.4176 14.18340 12.33752 
1 1 1    9   13   47 o  114.101   5.2164   88.934   8.0496   82.318   11.364   95.596   11.403  109.809   7.6372  118.393   7.1077 -8.584328 10.43289 
1 1 1    9   13   48 o   82.433   6.1414   46.527   6.8545   49.120   9.7626   44.006   9.6263   84.715   8.5040   80.150   8.8628 4.565125 12.28277 
1 1 1    9   13   49 o   86.259   5.9928   50.985   6.9861   55.918   9.9756   46.236   9.7868   90.391   8.1439   82.126   8.7938 8.265427 11.98560 
1 1 1    9   13   50 f   76.599   6.3701   40.258   6.6037   43.182   9.4707   37.490   9.2128   79.327   8.8101   73.871   9.2030 5.455223 12.74021 
1 1 1    9   13   51 o   65.517   7.3810   30.259   6.3105   24.470   8.8496   36.248   9.0010   58.433   11.585   72.601   9.1488 -14.16815 14.76201 
1 1 1    9   13   52 o  114.826   6.2244   90.044   9.2540   88.543   11.462   92.855   15.684  113.704   7.4386  115.947   9.9819 -2.242722 12.44871 
1 1 1    9   13   53 o  107.359   5.5148   79.372   7.9943   85.269   11.162   73.160   11.455  111.539   7.3845  103.180   8.1928 8.358986 11.02960 
1 1 1    9   13   54 o  109.924   6.7171   66.047   8.8920   42.649   10.234  138.115   17.961   78.503   9.6201  141.345   9.3772 -62.84130 13.43418 
1 1 1    9   13   55 o   50.607   10.261   17.980   6.9392   16.837   8.2670   20.707   12.767   48.026   12.560   53.188   16.231 -5.161942 20.52288 
1 1 1    9   13   56 o  116.029   5.1690   92.516   8.1252   89.760   11.353   95.409   11.634  114.254   7.3325  117.804   7.2875 -3.550591 10.33790 
1 1 1    9   13   57 o   92.046   5.7342   58.398   7.0664   46.980   9.6945   71.341   10.322   82.337   8.6885  101.755   7.4855 -19.41807 11.46839 
1 1 1    9   13   58 o   46.572   8.7957   15.976   5.6556   15.638   7.9020   16.330   8.0982   46.087   12.386   47.056   12.491 -0.9697113 17.59131 
1 1 1    9   13   59 o   90.809   5.7732   57.320   7.0575   49.344   9.8769   65.641   10.088   84.210   8.6551   97.408   7.6425 -13.19765 11.54638 
1 1 1    9   13   60 o   72.481   6.9331   37.569   6.4668   48.184   9.3394   27.792   8.9632   83.216   8.2820   61.746   11.121 21.47013 13.86611 
1 1 1    9   13   61 o   84.668   8.5331   50.085   9.7906   0.0000   0.0000   50.085   9.7906  ?   ?    84.668   8.5331      ?      ? 
1 1 1    9   13   62 o   59.158   11.330   25.828   8.7525   0.0000   0.0000   25.828   8.7525  ?   ?    59.158   11.330      ?      ? 
1 1 1    9   13   63 o   83.294   7.7322   49.919   8.2004   49.574   14.176   50.093   10.053   82.240   12.720   84.349   8.7951 -2.109795 15.46445 
1 1 1    9   13   64 o   77.221   7.8780   41.114   7.8550   50.049   13.796   36.827   9.5551   82.584   12.327   71.857   9.8125 10.72681 15.75596 
1 1 1    9   13   65 o   73.411   13.521   41.308   12.955   41.308   12.955   0.0000   0.0000   73.411   13.521  ?   ?       ?      ? 
1 1 1    9   13   66 o   54.378   10.953   23.938   8.5362   26.926   11.718   20.560   12.460   58.117   14.830   50.638   16.124 7.478333 21.90684 
1 1 1    9   13   67 f   73.378   9.5205   40.848   9.1520   30.681   12.319   53.369   13.672   61.874   14.876   84.882   11.886 -23.00893 19.04108 
1 1 1    9   13   68 o   39.706   10.431   9.7091   7.8844   2.9199   10.901   17.157   11.418   32.888   13.986   46.524   15.480 -13.63578 20.86280 
1 1 1    9   13   69 o   55.387   11.102   25.197   8.7735   21.097   12.060   29.805   12.787   50.648   15.829   60.126   15.570 -9.478329 22.20338 
1 1 1    9   13   70 o   42.768   10.371   11.751   8.0066   1.8948   10.750   24.029   11.998   31.756   13.703   53.779   15.570 -22.02337 20.74127 
1 1 1    9   13   71 o   54.885   10.292   22.438   8.6694   8.4425   11.347   42.063   13.437   37.376   14.897   72.394   14.204 -35.01814 20.58355 
1 1 1    9   13   72 o   37.589   14.640   9.3273   10.738   9.3273   10.738   0.0000   0.0000   37.589   14.640  ?   ?       ?      ? 
1 1 1    9   13   73 o   44.743   15.338   16.480   11.209   16.480   11.209   0.0000   0.0000   44.743   15.338  ?   ?       ?      ? 
1 1 1    9   13   74 o   59.754   9.8171   27.181   9.1062   8.2999   11.979   53.034   14.016   37.024   15.108   82.484   12.540 -45.46006 19.63415 
1 1 1    9   13   75 o   35.092   10.324   6.6782   8.1062   7.4575   10.895   5.7120   12.132   35.311   14.409   34.874   14.790 0.4372597 20.64841 
1 1 1    9   13   76 o   45.487   11.198   18.148   8.8030   23.916   12.209   11.902   12.704   51.383   15.905   39.591   15.768 11.79226 22.39668 
1 1 1    9   13   77 o   34.165   10.078   1.5032   8.7881 -12.4118   12.148   16.779   12.729   24.989   12.044   43.341   16.161 -18.35264 20.15576 
1 1 1    9   14    0 o  149.809   4.8656  152.836   9.8360  158.356   13.459  146.508   14.410  152.737   6.5026  146.880   7.2397 5.857117 9.731203 
1 1 1    9   14    1 o  146.646   6.5608  156.878   11.371  170.555   13.518  123.780   21.029  158.519   6.2930  134.772   11.514 23.74724 13.12163 
1 1 1    9   14    2 o  151.651   6.1979  155.520   11.386  154.505   13.362  158.213   21.758  150.865   6.5357  152.437   10.533 -1.572266 12.39582 
1 1 1    9   14    3 o  242.704   6.1339  406.540   18.388  415.694   22.024  385.472   33.413  247.455   6.5676  237.953   10.362 9.502380 12.26789 
1 1 1    9   14    4 o  250.798   6.2428  437.268   19.285  451.692   23.118  404.271   34.966  257.941   6.6138  243.654   10.590 14.28685 12.48558 
1 1 1    9   14    5 o  135.628   4.9220  124.547   9.0027  121.396   12.085  128.475   13.495  133.718   6.6691  137.537   7.2406 -3.818604 9.843950 
1 1 1    9   14    6 o  141.246   4.8495  135.366   9.2398  134.421   12.463  136.518   13.768  140.713   6.5361  141.778   7.1660 -1.065567 9.699042 
1 1 1    9   14    7 o  214.171   4.7224  308.812   13.646  282.765   18.292  341.495   20.490  204.078   6.6142  224.264   6.7422 -20.18529 9.444845 
1 1 1    9   14    8 o  203.221   4.6861  279.847   12.880  272.079   17.576  288.855   18.929  200.191   6.4788  206.251   6.7724 -6.060455 9.372266 
1 1 1    9   14    9 o  219.933   4.7330  327.685   14.071  318.364   19.127  338.681   20.773  216.544   6.5182  223.322   6.8642 -6.778046 9.465940 
1 1 1    9   14   10 o  264.766   4.8956  473.125   17.504  440.906   23.587  512.622   26.115  254.804   6.8309  274.729   7.0147 -19.92506 9.791203 
1 1 1    9   14   11 o  127.119   6.4801  110.195   9.9780  110.508   11.737  109.380   18.950  127.563   6.7895  126.675   11.039 0.8887100 12.96018 
1 1 1    9   14   12 o  180.797   5.6798  222.918   11.357  223.451   12.797  220.945   24.647  181.476   5.2035  180.117   10.098 1.358597 11.35968 
1 1 1    9   14   13 o  248.785   5.7692  413.007   15.987  407.263   17.989  434.592   34.869  244.982   5.4186  252.588   10.187 -7.606110 11.53848 
1 1 1    9   14   14 o  285.859   6.2599  556.133   22.119  556.410   26.355  555.474   40.683  286.219   6.7948  285.499   10.515 0.7197266 12.51975 
1 1 1    9   14   15 o  217.281   6.0216  323.522   15.927  326.654   18.826  315.633   29.875  219.333   6.3338  215.230   10.243 4.102554 12.04315 
1 1 1    9   14   16 o  282.614   6.2860  548.834   22.019  556.957   26.385  530.197   39.964  286.344   6.7996  278.884   10.575 7.460266 12.57208 
1 1 1    9   14   17 o  264.266   5.7977  465.873   17.243  458.838   19.476  491.393   37.092  260.006   5.5275  268.526   10.193 -8.519104 11.59538 
1 1 1    9   14   18 o  205.916   5.6368  288.125   13.052  287.955   14.789  288.722   27.758  205.987   5.2980  205.846   9.9511 0.1408844 11.27355 
1 1 1    9   14   19 o  182.098   5.6854  225.774   11.588  225.968   13.110  225.081   24.772  182.470   5.3020  181.726   10.059 0.7445221 11.37082 
1 1 1    9   14   20 o  166.997   5.7136  189.703   10.685  189.708   12.090  189.686   22.842  167.185   5.3362  166.810   10.105 0.3751373 11.42721 
1 1 1    9   14   21 o   72.562   9.9492   37.191   9.4026   35.922   12.735   38.711   13.941   71.242   13.689   73.882   14.442 -2.640358 19.89836 
1 1 1    9   14   22 o   90.770   6.9760   52.335   7.2166   49.380   8.1223   63.411   15.726   85.237   7.0319   96.303   12.050 -11.06635 13.95207 
1 1 1    9   14   23 o  204.132   5.6868  287.474   13.125  290.801   14.952  276.297   27.405  206.979   5.3306  201.284   10.047 5.694885 11.37356 
1 1 1    9   14   24 o  192.444   5.7313  261.001   12.458  268.834   14.256  235.707   25.620  199.006   5.2864  185.882   10.171 13.12453 11.46253 
1 1 1    9   14   25 o  244.091   5.4872  404.518   18.150  404.518   18.150   0.0000   0.0000  244.091   5.4872  ?   ?       ?      ? 
1 1 1    9   14   26 o  161.712   5.4484  177.553   11.940  177.553   11.940   0.0000   0.0000  161.712   5.4484  ?   ?       ?      ? 
1 1 1    9   14   27 o  104.540   6.1783   74.250   8.7526   74.250   8.7526   0.0000   0.0000  104.540   6.1783  ?   ?       ?      ? 
1 1 1    9   14   28 o  192.515   5.7481  254.403   12.439  256.075   14.119  248.604   26.293  194.201   5.3651  190.829   10.167 3.371582 11.49618 
1 1 1    9   14   29 o  241.658   5.7846  397.741   15.883  397.802   18.077  397.535   33.260  242.027   5.5116  241.289   10.172 0.7385864 11.56915 
1 1 1    9   14   30 o  249.410   6.2493  431.472   19.568  444.736   23.791  403.730   34.406  255.735   6.8649  243.085   10.445 12.65007 12.49860 
1 1 1    9   14   31 o  253.385   5.8708  440.268   17.014  442.807   19.447  431.983   35.127  255.324   5.6207  251.447   10.309 3.876465 11.74151 
1 1 1    9   14   32 f  108.248   7.1920   78.371   9.9779   75.067   12.147   85.225   17.495  104.947   8.5413  111.550   11.574 -6.602715 14.38405 
1 1 1    9   14   33 f  130.873   6.6053  116.058   11.025  114.453   13.438  119.363   19.281  129.654   7.6484  132.092   10.771 -2.438217 13.21063 
1 1 1    9   14   34 o  173.157   6.1304  200.749   13.435  194.386   16.192  214.806   24.068  169.018   7.0693  177.296   10.018 -8.277878 12.26078 
1 1 1    9   14   35 o  197.301   6.1267  269.599   15.212  277.016   18.515  254.193   26.684  201.792   6.7709  192.810   10.213 8.982758 12.25331 
1 1 1    9   14   36 o  180.639   5.7083  219.724   11.868  217.368   13.547  227.499   24.608  178.858   5.5893  182.420   9.9547 -3.562256 11.41650 
1 1 1    9   14   37 o  132.225   6.1855  120.749   9.3696  122.042   10.732  116.604   19.213  133.988   5.9108  130.462   10.867 3.526184 12.37091 
1 1 1    9   14   38 o   71.650   7.9346   31.567   6.8666   27.758   7.8795   43.590   14.000   63.747   9.1214   79.554   12.986 -15.80749 15.86920 
1 1 1    9   14   39 o   38.957   10.191   8.4013   6.5504   9.0230   7.5836   6.5746   12.999   37.416   12.617   40.499   16.007 -3.083588 20.38176 
1 1 1    9   14   40 o  243.520   6.2462  403.419   19.286  400.191   23.412  410.233   34.015  242.365   7.1283  244.674   10.259 -2.309082 12.49238 
1 1 1    9   14   41 o  318.717   6.6198  690.751   26.798  682.622   32.558  707.824   47.186  316.367   7.5942  321.067   10.845 -4.699524 13.23969 
1 1 1    9   14   42 o   78.882   9.4317   50.408   7.9492   56.481   9.1955   32.451   15.813   90.995   7.4572   66.770   17.327 24.22514 18.86339 
1 1 1    9   14   43 o  185.760   5.8661  239.973   12.573  243.857   14.470  228.003   25.400  189.322   5.6401  182.198   10.288 7.123993 11.73225 
1 1 1    9   14   44 o  148.523   6.4846  157.956   11.797  168.620   14.243  134.655   21.054  157.266   6.6830  139.779   11.115 17.48682 12.96917 
1 1 1    9   14   45 o  133.516   5.0577  121.839   9.0846  103.443   12.648  141.444   13.057  123.031   7.5862  144.002   6.6910 -20.97099 10.11536 
1 1 1    9   14   46 o  119.199   5.1546   97.018   8.3225  101.009   11.949   93.258   11.598  121.583   7.2525  116.815   7.3266 4.767799 10.30913 
1 1 1    9   14   47 o   33.219   9.2939   4.2849   6.1558   3.1133   8.1330   5.8563   9.4192   30.991   12.521   35.448   13.738 -4.456703 18.58783 
1 1 1    9   14   48 o   92.126   6.5701   57.963   8.0192   56.240   10.245   60.688   12.886   90.514   8.3522   93.737   10.144 -3.222870 13.14014 
1 1 1    9   14   49 o  109.625   5.3553   82.411   7.9516   79.600   11.264   85.203   11.227  107.737   7.7149  111.512   7.4294 -3.775856 10.71056 
1 1 1    9   14   50 o  122.808   5.0939  103.349   8.4692   97.378   11.880  109.519   12.077  119.172   7.3562  126.444   7.0482 -7.272087 10.18777 
1 1 1    9   14   51 o   96.009   5.6159   63.377   7.2958   68.147   10.440   58.823   10.200   99.576   7.7365   92.443   8.1424 7.132935 11.23176 
1 1 1    9   14   52 o  122.394   6.4353  101.507   9.8625   98.103   11.783  109.471   18.024  119.506   7.2758  125.281   10.617 -5.775169 12.87064 
1 1 1    9   14   53 o   91.065   7.2178   55.686   8.3554   51.903   10.047   64.166   15.045   86.628   8.5587   95.502   11.625 -8.874031 14.43560 
1 1 1    9   14   54 o   52.650   8.3106   20.267   5.7843   22.252   8.2931   18.387   8.0718   55.268   11.449   50.032   12.049 5.236115 16.62122 
1 1 1    9   14   55 o   81.456   6.0058   46.227   6.5842   40.097   9.3008   52.385   9.3222   75.892   9.0436   87.020   7.9052 -11.12806 12.01159 
1 1 1    9   14   56 o   99.504   5.4932   68.555   7.4062   70.123   10.529   67.019   10.420  100.643   7.7198   98.364   7.8171 2.279274 10.98647 
1 1 1    9   14   57 o   63.919   7.4759   29.932   6.1023   20.255   8.5651   39.908   8.6964   52.163   12.314   75.676   8.4801 -23.51287 14.95175 
1 1 1    9   14   58 o   74.740   8.4800   41.361   7.6767   38.842   13.563   42.549   9.3119   71.526   14.489   77.954   8.8149 -6.427467 16.95997 
1 1 1    9   14   59 o  112.175   7.5151   87.503   11.424   0.0000   0.0000   87.503   11.424  ?   ?   112.175   7.5151      ?      ? 
1 1 1    9   14   60 f  103.856   7.7627   75.304   10.925   0.0000   0.0000   75.304   10.925  ?   ?   103.856   7.7627      ?      ? 
1 1 1    9   14   61 o   49.941   9.9834   20.028   6.9887   15.115   12.426   22.301   8.4523   45.437   16.109   54.446   11.797 -9.008598 19.96674 
1 1 1    9   14   62 o   28.905   8.8946  -0.1097   6.1091   2.3739   10.775  -1.2864   7.4164   32.700   13.906   25.111   11.094 7.589424 17.78918 
1 1 1    9   14   63 o   71.138   9.8404   38.948   9.2625   48.206   13.393   30.461   12.824   80.690   12.248   61.585   15.405 19.10506 19.68074 
1 1 1    9   14   64 o   60.501   10.670   29.519   8.7300   31.294   12.092   27.587   12.618   62.771   14.506   58.231   15.652 4.539436 21.34062 
1 1 1    9   14   65 o   41.165   10.510   11.356   7.8055   5.4628   10.679   18.117   11.437   34.700   14.224   47.630   15.477 -12.93017 21.02054 
1 1 1    9   14   66 o   66.254   10.276   35.374   8.9784   38.831   12.447   31.624   12.963   70.401   13.539   62.106   15.462 8.295650 20.55197 
1 1 1    9   14   67 o   36.487   10.337   7.5155   7.7765   8.5236   10.630   6.3550   11.406   37.115   14.536   35.859   14.700 1.256264 20.67322 
1 1 1    9   14   68 o   35.256   10.131   5.7269   7.6733   1.7027   10.369   10.599   11.409   31.112   13.442   39.401   15.161 -8.288601 20.26172 
1 1 1    9   14   69 o   30.647   9.4819   0.8646   7.4299   0.7557   9.8479   1.0084   11.320   29.697   12.963   31.597   13.842 -1.900005 18.96378 
1 1 1    9   14   70 o   55.954   11.185   26.481   8.8325   23.375   11.820   30.409   13.291   52.458   15.530   59.450   16.101 -6.991802 22.37006 
1 1 1    9   14   71 o   35.247   14.290   7.1681   10.633   7.1681   10.633   0.0000   0.0000   35.247   14.290  ?   ?       ?      ? 
1 1 1    9   14   72 o   25.426   11.836  -5.7090   9.9150  -5.7090   9.9150   0.0000   0.0000   25.426   11.836  ?   ?       ?      ? 
1 1 1    9   14   73 o   39.559   9.9779   9.9518   8.2115   22.599   11.049  -5.6528   12.273   50.865   15.004   28.254   13.158 22.61027 19.95583 
1 1 1    9   14   74 o   49.000   11.169   21.212   8.8346   13.271   12.092   30.304   12.939   40.374   15.588   57.625   16.001 -17.25069 22.33839 
1 1 1    9   15    0 o  127.695   5.1512  111.118   8.8578  113.828   11.961  107.827   13.181  129.447   6.8188  125.943   7.7230 3.503792 10.30245 
1 1 1    9   15    1 o  171.603   4.8435  198.789   11.222  185.673   15.103  214.957   16.769  165.330   6.7411  177.876   6.9566 -12.54633 9.686963 
1 1 1    9   15    2 o  271.408   5.0042  500.218   18.382  495.037   25.306  506.004   26.745  269.938   6.9181  272.878   7.2325 -2.940002 10.00843 
1 1 1    9   15    3 o  209.740   5.7304  303.435   15.853  278.970   24.928  320.048   20.542  202.441   9.0867  217.039   6.9842 -14.59764 11.46070 
1 1 1    9   15    4 o  269.820   5.8750  489.515   20.760  517.064   34.487  473.860   25.998  275.582   9.2347  264.059   7.2653 11.52298 11.75002 
1 1 1    9   15    5 o   67.703   8.3878   32.079   7.4662   28.494   10.811   35.348   10.323   63.407   13.018   71.998   10.581 -8.591282 16.77557 
1 1 1    9   15    6 f  170.437   5.6712  198.893   12.828  190.627   20.073  204.600   16.679  167.354   8.8510  173.519   7.0930 -6.164932 11.34244 
1 1 1    9   15    7 o  291.815   6.1083  584.794   23.373  557.778   37.736  601.608   29.770  286.126   9.7323  297.503   7.3843 -11.37640 12.21663 
1 1 1    9   15    8 o  320.769   5.2721  699.383   22.901  697.586   31.770  701.327   33.040  320.359   7.3181  321.179   7.5912 -0.8195801 10.54426 
1 1 1    9   15    9 o  196.346   4.8368  260.993   12.827  250.937   17.326  273.191   19.082  192.191   6.6525  200.502   7.0231 -8.310928 9.673630 
1 1 1    9   15   10 o  148.570   4.9968  150.041   9.9987  150.278   13.426  149.745   14.983  148.727   6.6615  148.413   7.4496 0.3140106 9.993597 
1 1 1    9   15   11 o  183.516   4.9192  230.632   12.132  247.810   16.549  210.677   17.837  191.002   6.3938  176.030   7.4774 14.97205 9.838307 
1 1 1    9   15   12 o  131.783   6.6350  127.923   9.0781  134.057   10.155  103.505   20.260  140.535   5.3321  123.031   12.152 17.50420 13.26999 
1 1 1    9   15   13 o  186.733   5.7262  231.248   11.778  227.091   13.187  247.642   26.189  182.909   5.3204  190.557   10.142 -7.648300 11.45237 
1 1 1    9   15   14 o  112.998   6.6806   76.304   9.1451   65.018   10.483  112.253   18.709   97.761   7.9127  128.235   10.766 -30.47385 13.36125 
1 1 1    9   15   15 o  205.614   6.2285  293.241   15.678  300.768   18.680  275.305   28.835  210.392   6.5520  200.835   10.595 9.557083 12.45700 
1 1 1    9   15   16 o  205.068   7.0529  282.802   19.458  252.107   25.732  323.793   29.736  192.269   9.8760  217.868   10.072 -25.59938 14.10576 
1 1 1    9   15   17 o   96.050   7.6895   60.583   8.8024   58.075   10.154   68.165   17.657   92.375   8.1115   99.725   13.066 -7.350235 15.37902 
1 1 1    9   15   18 o  108.748   7.4554   80.439   10.987   80.439   10.987   0.0000   0.0000  108.748   7.4554  ?   ?       ?      ? 
1 1 1    9   15   19 o  224.322   6.6726  342.026   20.284  342.026   20.284   0.0000   0.0000  224.322   6.6726  ?   ?       ?      ? 
1 1 1    9   15   20 o  176.441   6.6921  211.615   16.001  211.615   16.001   0.0000   0.0000  176.441   6.6921  ?   ?       ?      ? 
1 1 1    9   15   21 o  131.399   6.7325  117.776   10.662  117.790   12.497  117.738   20.441  131.613   7.0070  131.186   11.498 0.4270020 13.46509 
1 1 1    9   15   22 o  121.705   6.9881  105.200   10.263  110.774   12.217   91.827   18.922  127.624   7.0637  115.786   12.060 11.83784 13.97616 
1 1 1    9   15   23 o  189.944   6.2673  249.300   14.707  254.382   17.611  237.585   26.738  193.428   6.7187  186.459   10.582 6.969055 12.53451 
1 1 1    9   15   24 o  256.286   6.2910  441.118   20.054  431.306   23.876  464.618   36.951  251.819   6.9968  260.752   10.457 -8.932999 12.58191 
1 1 1    9   15   25 o  243.890   6.3091  407.876   19.233  411.606   23.164  399.596   34.510  245.997   6.9487  241.782   10.533 4.215790 12.61824 
1 1 1    9   15   26 o  183.341   10.454  229.782   25.973   0.0000   0.0000  229.782   25.973  ?   ?   183.341   10.454      ?      ? 
1 1 1    9   15   27 o  145.573   5.9616  133.812   9.9894  125.251   11.276  165.045   21.536  135.749   6.1295  155.398   10.227 -19.64864 11.92317 
1 1 1    9   15   28 o   97.179   7.2336   64.847   7.8517   65.074   8.8853   64.036   16.773   97.814   6.7033   96.544   12.821 1.269882 14.46719 
1 1 1    9   15   29 o  141.300   5.8735  125.211   9.5566  116.488   10.778  157.284   20.667  130.908   6.0756  151.692   10.054 -20.78369 11.74708 
1 1 1    9   15   30 o  207.897   5.8534  302.212   13.865  309.003   15.893  280.583   28.365  213.264   5.4992  202.530   10.335 10.73425 11.70682 
1 1 1    9   15   31 o  161.755   5.8389  170.630   10.813  164.294   12.241  193.129   23.067  155.475   5.8098  168.036   10.130 -12.56154 11.67788 
1 1 1    9   15   32 o  245.141   5.8057  404.646   16.314  400.208   18.589  419.522   34.034  242.664   5.6529  247.618   10.142 -4.953384 11.61140 
1 1 1    9   15   33 o  131.256   6.4681  123.289   9.6295  128.445   11.080  107.370   19.469  137.443   5.9486  125.069   11.487 12.37439 12.93629 
1 1 1    9   15   34 f  187.197   5.7269  232.980   12.370  227.677   14.098  250.725   25.789  183.004   5.6849  191.390   9.9435 -8.386002 11.45384 
1 1 1    9   15   35 o  125.827   6.8357  106.823   10.943  104.002   13.271  112.815   19.343  123.474   7.9310  128.181   11.136 -4.706291 13.67144 
1 1 1    9   15   36 o  114.421   6.9662   85.899   10.250   78.496   12.428  101.648   18.127  107.190   8.5560  121.652   10.996 -14.46199 13.93232 
1 1 1    9   15   37 o  129.748   6.2814  114.664   9.4027  114.233   10.766  116.052   19.308  129.553   6.1321  129.943   10.965 -0.3910522 12.56285 
1 1 1    9   15   38 o  126.246   6.1896  102.308   9.1492   96.250   10.421  122.682   19.111  118.871   6.4692  133.621   10.554 -14.74921 12.37929 
1 1 1    9   15   39 o  161.495   5.8895  176.173   11.007  174.177   12.596  182.618   22.635  159.968   5.8106  163.022   10.246 -3.053574 11.77907 
1 1 1    9   15   40 o   61.857   9.4124   33.210   7.2429   40.759   8.4754   12.768   13.947   77.195   8.1019   46.519   16.992 30.67644 18.82482 
1 1 1    9   15   41 o  144.722   6.0089  140.575   10.129  137.856   11.606  149.264   20.747  142.242   6.0210  147.201   10.401 -4.959763 12.01784 
1 1 1    9   15   42 o  105.818   6.9348   76.512   8.4133   76.019   9.6032   78.138   17.449  105.530   6.7152  106.105   12.135 -0.5756607 13.86954 
1 1 1    9   15   43 o   94.234   7.1752   60.717   9.1627   60.717   9.1627   0.0000   0.0000   94.234   7.1752  ?   ?       ?      ? 
1 1 1    9   15   44 o   51.343   11.367   18.984   7.7002   18.984   7.7002   0.0000   0.0000   51.343   11.367  ?   ?       ?      ? 
1 1 1    9   15   45 o  110.842   6.7945   82.881   9.4825   79.720   11.368   90.111   17.192  107.802   7.7817  113.882   11.140 -6.080269 13.58897 
1 1 1    9   15   46 f  109.809   6.3856   77.148   8.3376   71.257   9.5459   96.100   17.122  102.014   6.9052  117.603   10.743 -15.58879 12.77114 
1 1 1    9   15   47 o   78.684   8.6670   47.579   7.4764   51.119   8.6880   37.474   14.677   86.293   7.4295   71.075   15.661 15.21883 17.33390 
1 1 1    9   15   48 o   44.541   10.150   13.172   6.3231   12.369   7.3233   15.525   12.534   41.521   12.205   47.561   16.220 -6.040318 20.29917 
1 1 1    9   15   49 o   60.040   9.5105   23.031   7.1692   16.526   8.5271   38.717   13.241   47.494   12.910   72.587   13.968 -25.09330 19.02093 
1 1 1    9   15   50 o   74.625   8.5438   38.628   7.8019   36.538   9.3270   43.497   14.237   72.455   9.4993   76.795   14.204 -4.340782 17.08768 
1 1 1    9   15   51 o   48.386   10.278   16.293   6.8838   14.400   8.2976   20.473   12.329   44.381   12.977   52.392   15.942 -8.010967 20.55558 
1 1 1    9   15   52 o  123.796   5.0503  105.654   8.4597   97.938   11.814  113.773   12.119  119.105   7.3196  128.488   6.9604 -9.382324 10.10066 
1 1 1    9   15   53 o  129.291   5.0088  115.413   8.7744  112.659   12.331  118.238   12.488  127.714   7.1250  130.867   7.0417 -3.152885 10.01755 
1 1 1    9   15   54 o  114.504   6.5877   93.640   9.5011   87.272   16.513   96.791   11.616  110.762   11.002  118.246   7.2494 -7.484245 13.17543 
1 1 1    9   15   55 o   66.643   8.8389   31.902   7.1869   34.782   13.185   30.684   8.5722   67.328   14.850   65.958   9.5905 1.369202 17.67783 
1 1 1    9   15   56 o   57.749   9.7002   23.691   7.0263   31.074   12.829   20.528   8.3977   63.202   15.172   52.297   12.091 10.90507 19.40037 
1 1 1    9   15   57 o   24.702   10.896  -1.2883   7.1246   0.0000   0.0000  -1.2883   7.1246  ?   ?    24.702   10.896      ?      ? 
1 1 1    9   15   58 o   43.499   12.976   14.336   8.2281   0.0000   0.0000   14.336   8.2281  ?   ?    43.499   12.976      ?      ? 
1 1 1    9   15   59 f   41.969   10.338   11.376   6.7114   17.915   12.463   8.7048   7.9649   48.031   16.175   35.908   12.880 12.12290 20.67632 
1 1 1    9   15   60 o   45.876   11.028   16.147   8.1868   17.362   11.926   15.064   11.258   47.173   15.823   44.579   15.367 2.594017 22.05697 
1 1 1    9   15   61 o   67.079   10.072   35.574   8.8837   40.274   12.574   30.889   12.553   72.188   13.345   61.971   15.089 10.21716 20.14374 
1 1 1    9   15   62 o   51.870   10.288   20.956   8.1434   10.469   11.252   32.488   11.800   39.618   15.101   64.122   13.975 -24.50400 20.57543 
1 1 1    9   15   63 o   59.461   10.680   28.834   8.6224   28.772   12.258   28.894   12.130   59.349   15.181   59.573   15.027 -0.2240906 21.36082 
1 1 1    9   15   64 o   38.082   10.212   8.3493   7.7136   1.1362   10.759   15.979   11.065   31.259   13.598   44.904   15.240 -13.64533 20.42481 
1 1 1    9   15   65 o   53.580   10.902   23.616   8.3788   19.766   11.372   28.187   12.392   48.973   15.382   58.187   15.455 -9.213760 21.80483 
1 1 1    9   15   66 o   61.949   10.156   29.957   8.9329   16.895   11.853   47.132   13.591   45.595   15.764   78.303   12.808 -32.70818 20.31168 
1 1 1    9   15   67 o   43.658   10.818   14.281   8.0758   8.6629   10.694   21.737   12.319   36.854   14.534   50.462   16.029 -13.60841 21.63687 
1 1 1    9   15   68 o   58.367   10.650   27.961   8.7198   18.750   11.566   40.088   13.272   47.067   15.577   69.668   14.529 -22.60083 21.30071 
1 1 1    9   15   69 o   30.811   9.4946   0.7291   7.4251  -3.2621   9.7005   6.3758   11.538   26.518   12.112   35.105   14.625 -8.586809 18.98925 
1 1 1    9   15   70 o   29.824   13.064   1.3857   10.081   1.3857   10.081   0.0000   0.0000   29.824   13.064  ?   ?       ?      ? 
1 1 1    9   16    0 o  217.141   4.9428  318.878   14.500  299.950   19.590  341.812   21.564  210.063   6.8817  224.220   7.0970 -14.15707 9.885551 
1 1 1    9   16    1 o  192.648   4.9666  253.583   12.900  272.154   17.838  233.221   18.678  200.120   6.5776  185.177   7.4434 14.94299 9.933203 
1 1 1    9   16    2 o  138.376   5.2056  128.939   9.7131  115.733   13.010  145.567   14.599  130.450   7.3598  146.301   7.3638 -15.85059 10.41114 
1 1 1    9   16    3 o  208.893   5.7577  289.916   15.857  327.060   26.202  268.450   19.919  219.115   8.8242  198.671   7.3986 20.44362 11.51547 
1 1 1    9   16    4 o  298.884   7.1339  608.067   28.842  585.880   39.379  633.742   42.361  293.053   9.9161  304.716   10.259 -11.66238 14.26772 
1 1 1    9   16    5 o  201.707   5.0014  277.171   13.611  282.803   18.512  270.544   20.080  203.978   6.6970  199.436   7.4300 4.542328 10.00270 
1 1 1    9   16    6 o  197.088   4.9409  264.493   13.163  270.465   18.113  257.809   19.163  199.476   6.7006  194.699   7.2630 4.776932 9.881740 
1 1 1    9   16    7 o  242.189   4.9666  398.968   16.273  401.307   22.406  396.357   23.672  242.966   6.8052  241.411   7.2358 1.555084 9.933191 
1 1 1    9   16    8 o  202.401   4.9339  278.168   13.495  273.672   18.350  283.466   19.917  200.644   6.7488  204.157   7.1990 -3.512909 9.867728 
1 1 1    9   16    9 o  136.005   5.5237  126.617   10.028  130.453   13.211  121.402   15.405  138.506   7.0384  133.503   8.5152 5.002426 11.04747 
1 1 1    9   16   10 o  243.423   9.8879  404.380   32.617  404.380   32.617   0.0000   0.0000  243.423   9.8879  ?   ?       ?      ? 
1 1 1    9   16   11 f  172.102   7.2222  203.114   16.765  221.741   23.449  183.638   23.978  180.286   9.5981  163.919   10.794 16.36722 14.44437 
1 1 1    9   16   12 o  130.952   5.6893  116.477   10.096  116.477   10.096   0.0000   0.0000  130.952   5.6893  ?   ?       ?      ? 
1 1 1    9   16   13 o   73.173   10.066   48.749   7.1514   54.389   7.8533   21.361   17.306   89.451   6.4787   56.894   19.060 32.55658 20.13143 
1 1 1    9   16   14 o  127.357   6.5625  113.686   8.9726  115.742   10.051  105.616   19.910  130.535   5.6820  124.179   11.831 6.355827 13.12495 
1 1 1    9   16   15 o  148.453   5.8938  134.064   9.6129  124.067   10.633  178.775   22.488  135.138   5.8064  161.768   10.258 -26.62968 11.78758 
1 1 1    9   16   16 o  156.910   6.0903  161.463   10.405  157.351   11.584  178.635   23.672  152.200   5.6162  161.620   10.808 -9.420288 12.18051 
1 1 1    9   16   17 o   63.905   9.9350   30.152   7.0168   31.347   7.8412   25.348   15.721   67.818   8.5320   59.992   17.945 7.826183 19.87006 
1 1 1    9   16   18 o  190.793   6.1188  258.275   12.950  266.414   14.726  230.495   27.207  198.046   5.4869  183.540   10.939 14.50562 12.23769 
1 1 1    9   16   19 o  185.071   6.2435  244.204   12.742  252.585   14.470  215.253   26.893  192.829   5.5374  177.313   11.192 15.51633 12.48707 
1 1 1    9   16   20 o  173.194   6.0067  201.460   11.472  199.312   12.873  209.747   25.287  171.287   5.5458  175.101   10.657 -3.814133 12.01333 
1 1 1    9   16   21 o  139.368   6.1777  123.786   9.5100  117.990   10.594  147.849   21.586  131.761   5.9330  146.974   10.838 -15.21297 12.35543 
1 1 1    9   16   22 o  157.341   6.1136  169.434   10.665  169.878   12.031  167.806   23.045  158.121   5.6147  156.560   10.862 1.561020 12.22726 
1 1 1    9   16   23 o   60.806   10.234   24.311   6.9130   23.026   7.6735   29.844   15.926   57.176   10.282   64.437   17.697 -7.260773 20.46710 
1 1 1    9   16   24 o  226.829   5.8984  346.210   15.081  342.540   17.066  359.295   32.226  224.518   5.6091  229.141   10.378 -4.623260 11.79688 
1 1 1    9   16   25 o  294.502   6.2468  605.584   20.947  617.683   23.991  566.765   42.972  301.438   5.8730  287.565   11.027 13.87250 12.49357 
1 1 1    9   16   26 o  183.533   6.0014  230.505   12.219  231.007   13.786  228.664   26.390  184.371   5.5177  182.695   10.659 1.675598 12.00283 
1 1 1    9   16   27 o  129.963   6.6368  119.333   9.4922  122.301   10.744  108.776   20.262  134.114   5.9117  125.811   11.885 8.303200 13.27369 
1 1 1    9   16   28 o  192.451   5.9600  254.137   12.908  255.208   14.651  250.422   27.284  193.760   5.5798  191.142   10.533 2.618500 11.91991 
1 1 1    9   16   29 o  214.496   6.2265  314.692   16.656  315.213   19.988  313.509   30.127  215.139   6.8560  213.852   10.396 1.286942 12.45304 
1 1 1    9   16   30 o  197.115   6.2224  266.812   15.404  268.928   18.622  262.224   27.416  198.687   6.9163  195.544   10.346 3.143127 12.44487 
1 1 1    9   16   31 o  142.246   6.7780  144.072   11.981  153.818   14.613  124.087   20.925  150.212   7.1787  134.280   11.499 15.93265 13.55596 
1 1 1    9   16   32 o   90.389   7.9010   57.907   8.0185   59.345   9.1485   53.142   16.655   93.283   7.2371   87.494   14.047 5.789459 15.80203 
1 1 1    9   16   33 o  196.968   5.8452  260.534   13.118  256.638   14.896  273.991   27.685  194.211   5.6601  199.725   10.229 -5.513641 11.69043 
1 1 1    9   16   34 o  187.934   5.8433  239.610   12.595  237.892   14.371  245.303   26.157  186.959   5.6722  188.908   10.218 -1.949219 11.68663 
1 1 1    9   16   35 f  142.080   6.2197  139.170   10.077  139.902   11.507  136.762   20.875  143.323   5.9247  140.836   10.938 2.487198 12.43939 
1 1 1    9   16   36 o  160.287   6.1120  177.062   11.089  177.863   12.621  174.352   23.224  161.600   5.7634  158.974   10.780 2.625641 12.22398 
1 1 1    9   16   37 o  106.002   7.1322   77.108   8.4181   76.870   9.5037   77.973   18.138  106.129   6.6081  105.876   12.641 0.2522202 14.26444 
1 1 1    9   16   38 o   80.347   7.7831   44.211   8.4743   44.211   8.4743   0.0000   0.0000   80.347   7.7831  ?   ?       ?      ? 
1 1 1    9   16   39 o   94.488   7.1248   61.073   9.1229   61.073   9.1229   0.0000   0.0000   94.488   7.1248  ?   ?       ?      ? 
1 1 1    9   16   40 o   89.632   8.2289   61.886   8.0814   67.676   9.4693   46.362   15.505   99.446   7.0267   79.818   14.882 19.62782 16.45775 
1 1 1    9   16   41 o   97.634   7.1007   64.379   8.1294   62.808   9.3402   69.285   16.510   95.745   7.1987   99.524   12.242 -3.779106 14.20137 
1 1 1    9   16   42 o   85.490   7.3768   45.780   7.5338   40.877   8.6083   61.825   15.572   77.069   8.2424   93.911   12.236 -16.84150 14.75355 
1 1 1    9   16   43 o   47.292   9.3586   18.094   6.6318   23.170   7.7460   4.1583   12.834   56.886   10.433   37.698   15.540 19.18727 18.71727 
1 1 1    9   16   44 o  131.221   6.1598  113.013   9.4911  107.370   10.851  131.392   19.583  125.202   6.3953  137.241   10.530 -12.03906 12.31968 
1 1 1    9   16   45 o  145.075   6.4704  146.953   11.749  148.534   14.187  143.500   20.960  146.995   7.1220  143.155   10.805 3.840668 12.94075 
1 1 1    9   16   46 o  108.234   7.0279   80.718   9.5131   79.022   11.392   84.625   17.291  106.980   7.8582  109.488   11.654 -2.508072 14.05579 
1 1 1    9   16   47 o   74.174   8.7111   39.011   7.8354   37.936   9.3608   41.526   14.321   73.761   9.3649   74.587   14.691 -0.8254929 17.42214 
1 1 1    9   16   48 o  113.869   6.5374   89.169   8.6696   87.873   9.9559   93.236   17.634  113.033   6.4996  114.704   11.345 -1.670547 13.07487 
1 1 1    9   16   49 o   69.904   9.7062   40.285   8.5548   51.041   10.850   22.609   13.909   85.366   9.3790   54.442   16.996 30.92417 19.41248 
1 1 1    9   16   50 o   62.888   10.076   30.387   8.1337   31.617   10.136   28.164   13.631   65.597   11.838   60.178   16.308 5.418266 20.15186 
1 1 1    9   16   51 o   40.853   10.400   11.175   7.5147   14.350   9.5442   5.9976   12.189   44.136   14.118   37.570   15.276 6.566414 20.80036 
1 1 1    9   16   52 o   80.867   8.9689   50.829   8.7974   56.941   11.008   40.025   14.636   89.947   9.0312   71.787   15.498 18.16047 17.93783 
1 1 1    9   16   53 o   79.307   8.8466   47.996   8.7020   51.995   10.971   41.214   14.289   85.674   9.4499   72.940   14.958 12.73435 17.69321 
1 1 1    9   16   54 o   45.675   11.166   14.667   8.7465   7.9923   12.092   21.991   12.666   38.665   15.389   52.685   16.182 -14.01957 22.33134 
1 1 1    9   16   55 o   76.153   14.709   45.204   14.630   0.0000   0.0000   45.204   14.630  ?   ?    76.153   14.709      ?      ? 
1 1 1    9   16   56 o   38.603   14.425   9.8275   10.151   0.0000   0.0000   9.8275   10.151  ?   ?    38.603   14.425      ?      ? 
1 1 1    9   16   57 o   60.951   10.385   29.759   8.5033   26.433   12.311   32.793   11.759   57.135   15.504   64.768   13.819 -7.632446 20.76919 
1 1 1    9   16   58 o   61.768   10.041   30.497   8.6389   19.635   12.342   40.929   12.096   49.345   16.079   74.191   12.031 -24.84661 20.08218 
1 1 1    9   16   59 o   56.685   9.8068   25.558   8.3377   11.742   11.888   38.932   11.697   41.105   15.557   72.265   11.944 -31.15960 19.61353 
1 1 1    9   16   60 o   65.103   9.7552   33.558   8.5324   24.801   12.019   42.456   12.115   54.837   15.490   75.370   11.862 -20.53319 19.51039 
1 1 1    9   16   61 o   45.363   10.592   16.375   7.5982   18.666   10.884   14.196   10.612   47.904   15.048   42.822   14.910 5.082500 21.18412 
1 1 1    9   16   62 o   32.058   9.5833   3.2195   7.1870   1.6234   10.076   4.8726   10.254   30.686   13.254   33.430   13.845 -2.743898 19.16656 
1 1 1    9   16   63 o   49.217   10.870   20.174   8.0302   19.753   10.987   20.657   11.766   48.806   15.085   49.629   15.654 -0.8224182 21.73938 
1 1 1    9   16   64 o   45.276   10.442   16.585   7.8269   23.242   10.779   9.1594   11.384   52.845   14.578   37.706   14.955 15.13926 20.88467 
1 1 1    9   16   65 o   37.919   9.9425   6.6778   7.5880  -3.3523   9.9713   20.478   11.696   26.943   12.296   48.896   15.627 -21.95351 19.88493 
1 1 1    9   16   66 o   29.732   9.2984   0.4308   7.3499   0.4247   9.8761   0.4385   11.004   29.080   12.828   30.383   13.464 -1.302141 18.59674 
1 1 1    9   17    0 o  210.867   6.1918  307.888   16.515  316.911   20.201  289.704   28.679  215.847   6.9063  205.887   10.279 9.959427 12.38360 
1 1 1    9   17    1 o  146.341   6.5511  149.738   12.174  157.318   15.039  135.325   20.737  152.042   7.2991  140.641   10.881 11.40166 13.10220 
1 1 1    9   17    2 o  103.040   8.5829   62.299   10.635  121.160   19.598   37.732   12.661  133.075   10.868   73.005   13.288 60.07024 17.16587 
1 1 1    9   17    3 o  181.425   6.4469  214.598   14.995  255.177   26.721  195.945   18.116  193.231   10.204  169.619   7.8815 23.61191 12.89372 
1 1 1    9   17    4 o  113.053   9.3926   87.981   14.344   89.326   19.613   86.434   21.032  114.055   12.690  112.052   13.851 2.003380 18.78524 
1 1 1    9   17    5 o   96.476   8.7953   66.708   10.606   55.997   18.173   72.241   13.061   90.075   14.888  102.878   9.3689 -12.80256 17.59067 
1 1 1    9   17    6 o   97.597   6.6036   64.157   8.5843   49.217   11.496   82.988   12.906   84.870   9.9954  110.324   8.6327 -25.45344 13.20729 
1 1 1    9   17    7 o  204.496   5.0638  285.763   13.972  309.489   19.498  260.717   20.033  213.308   6.7452  195.685   7.5544 17.62341 10.12756 
1 1 1    9   17    8 o  183.010   5.8778  221.372   14.246  260.741   23.341  197.999   17.985  195.518   8.8094  170.501   7.7838 25.01595 11.75555 
1 1 1    9   17    9 o  128.192   7.3873  110.176   12.696   97.201   16.555  128.707   19.784  119.231   10.246  137.152   10.645 -17.92041 14.77459 
1 1 1    9   17   10 o  119.050   6.7661   93.328   10.090   88.126   11.996  105.909   18.656  113.743   7.7825  124.357   11.070 -10.61375 13.53212 
1 1 1    9   17   11 o  139.699   6.8814  130.017   11.485  126.446   13.307  140.448   22.740  136.295   7.2046  143.103   11.726 -6.808685 13.76281 
1 1 1    9   17   12 o  210.160   6.0284  295.048   13.750  291.008   15.333  311.635   31.069  206.964   5.4671  213.357   10.746 -6.393219 12.05674 
1 1 1    9   17   13 o  101.612   7.8785   73.436   8.0883   74.880   8.9127   66.700   19.255  104.937   6.2675   98.286   14.457 6.651466 15.75705 
1 1 1    9   17   14 o   82.197   9.2518   47.642   7.4347   47.814   8.1598   46.797   18.041   83.804   7.1850   80.589   17.052 3.215004 18.50362 
1 1 1    9   17   15 o  170.683   6.2200  204.854   11.558  209.201   13.019  188.680   25.113  175.466   5.4753  165.900   11.170 9.565613 12.44000 
1 1 1    9   17   16 o  155.117   6.0945  157.516   10.392  153.011   11.600  175.818   23.383  150.040   5.7054  160.194   10.771 -10.15416 12.18910 
1 1 1    9   17   17 o   98.565   8.4137   76.252   8.1848   82.118   9.2140   54.304   17.822  109.882   6.1878   87.246   15.648 22.63605 16.82743 
1 1 1    9   17   18 o  114.569   6.9398   89.814   8.6711   89.827   9.7201   89.766   19.189  114.915   6.2418  114.223   12.397 0.6928711 13.87950 
1 1 1    9   17   19 o  175.674   6.1267  214.441   11.867  217.230   13.397  204.282   25.572  178.772   5.5301  172.576   10.935 6.196274 12.25346 
1 1 1    9   17   20 o  158.348   6.2694  175.387   10.876  178.389   12.265  164.331   23.534  161.991   5.5871  154.705   11.225 7.285782 12.53889 
1 1 1    9   17   21 o  129.927   6.3825  106.046   9.2240   99.709   10.277  132.304   20.920  121.050   6.2649  138.803   11.122 -17.75378 12.76502 
1 1 1    9   17   22 o  144.869   6.5205  149.890   10.355  154.754   11.731  132.721   22.041  150.848   5.7386  138.889   11.711 11.95961 13.04098 
1 1 1    9   17   23 o  150.587   6.6463  158.647   12.113  163.141   14.344  147.474   22.616  154.748   6.8403  146.426   11.398 8.321625 13.29262 
1 1 1    9   17   24 o  111.878   7.4444   89.706   10.111   95.194   12.116   77.112   18.354  118.121   7.5692  105.635   12.821 12.48624 14.88881 
1 1 1    9   17   25 o  121.186   6.6394   97.574   9.0635   95.233   10.224  106.168   19.588  118.252   6.3800  124.121   11.646 -5.869179 13.27875 
1 1 1    9   17   26 o  103.729   7.2356   73.408   8.3128   73.040   9.3600   74.780   18.086  103.523   6.6720  103.934   12.841 -0.4110947 14.47114 
1 1 1    9   17   27 o   74.680   9.2146   40.609   7.3495   41.545   8.2971   37.200   15.837   77.974   7.8523   71.387   16.673 6.587173 18.42924 
1 1 1    9   17   28 o  120.680   6.8503  102.285   9.0972  104.002   10.277   96.070   19.554  123.557   6.1379  117.804   12.249 5.752617 13.70057 
1 1 1    9   17   29 o  118.864   7.2429  106.376   9.1800  113.261   10.411   82.306   19.465  128.943   5.9579  108.785   13.204 20.15849 14.48581 
1 1 1    9   17   30 o  115.925   6.8625   91.551   8.8329   90.902   9.9504   93.965   19.184  115.455   6.3599  116.395   12.162 -0.9403915 13.72491 
1 1 1    9   17   31 o  110.686   6.9768   85.496   8.6198   86.397   9.7746   82.343   18.281  112.532   6.4097  108.840   12.394 3.691795 13.95365 
1 1 1    9   17   32 o   54.778   10.647   21.414   7.6185   21.414   7.6185   0.0000   0.0000   54.778   10.647  ?   ?       ?      ? 
1 1 1    9   17   33 o   65.560   9.1528   29.581   8.1316   29.581   8.1316   0.0000   0.0000   65.560   9.1528  ?   ?       ?      ? 
1 1 1    9   17   34 o   44.438   9.7156   15.317   6.9215   20.183   7.7470  -3.9368   15.410   52.983   11.143   35.893   15.919 17.08936 19.43117 
1 1 1    9   17   35 o   75.345   9.1144   41.392   7.6002   42.228   8.7085   38.719   15.568   78.392   8.1977   72.299   16.282 6.092949 18.22890 
1 1 1    9   17   36 o  102.233   7.0682   73.127   8.2849   73.802   9.4989   70.983   16.937  103.837   6.7505  100.630   12.420 3.207497 14.13633 
1 1 1    9   17   37 o   68.102   9.2605   31.556   7.1787   29.989   8.1737   36.844   15.013   65.874   9.1564   70.330   16.099 -4.456909 18.52101 
1 1 1    9   17   38 f   56.026   9.6906   18.126   6.5915   12.698   7.5151   36.227   13.723   42.062   12.364   69.989   14.925 -27.92773 19.38113 
1 1 1    9   17   39 o   59.905   10.265   26.538   7.7292   26.678   9.1963   26.200   14.264   60.736   11.596   59.074   16.940 1.662285 20.52932 
1 1 1    9   17   40 o   52.808   9.2123   23.280   7.5843   33.062   9.1555   1.8856   13.539   68.905   9.8050   36.710   15.599 32.19543 18.42453 
1 1 1    9   17   41 o   66.006   9.6197   34.981   7.9319   41.121   9.7217   22.755   13.718   76.880   9.3315   55.132   16.825 21.74799 19.23932 
1 1 1    9   17   42 o   54.060   10.163   22.612   7.4410   24.938   9.0931   17.900   12.946   58.374   11.899   49.745   16.480 8.628952 20.32682 
1 1 1    9   17   43 o   40.371   10.041   10.897   6.3758   11.790   7.3779   8.2622   12.671   40.426   12.339   40.315   15.845 0.1109161 20.08261 
1 1 1    9   17   44 o   85.896   7.1264   46.258   7.3425   40.576   8.3942   64.769   15.150   76.449   8.1026   95.343   11.726 -18.89399 14.25276 
1 1 1    9   17   45 o   72.295   8.9660   35.602   8.3269   28.255   10.281   49.610   14.197   61.631   12.731   82.959   12.628 -21.32877 17.93200 
1 1 1    9   17   46 o   69.165   9.3249   34.298   8.1698   30.149   10.170   41.849   13.718   63.808   12.206   74.522   14.100 -10.71425 18.64989 
1 1 1    9   17   47 o   31.937   9.4205  -0.7461   6.9947  -7.1261   8.8986   9.5694   11.315   24.032   11.196   39.841   15.154 -15.80957 18.84097 
1 1 1    9   17   48 o   50.741   10.497   20.208   7.6797   22.357   9.7238   16.645   12.520   54.145   13.339   47.337   16.211 6.807690 20.99337 
1 1 1    9   17   49 o   33.471   9.6382   4.5062   6.9273   6.9567   8.8734   0.6820   11.085   34.891   13.384   32.051   13.873 2.839592 19.27639 
1 1 1    9   17   50 o   44.456   9.4062   7.5432   7.2326  -4.4822   8.8515   31.702   12.546   25.333   11.571   63.578   14.833 -38.24514 18.81234 
1 1 1    9   17   51 o   68.831   16.474   38.347   15.161   38.347   15.161   0.0000   0.0000   68.831   16.474  ?   ?       ?      ? 
1 1 1    9   17   52 o   82.825   14.805   53.698   16.007   53.698   16.007   0.0000   0.0000   82.825   14.805  ?   ?       ?      ? 
1 1 1    9   17   53 o   22.629   11.152 -23.0253   12.189 -23.0253   12.189   0.0000   0.0000   22.629   11.152  ?   ?       ?      ? 
1 1 1    9   17   54 o   36.611   13.434   9.0641   8.7317   9.0641   8.7317   0.0000   0.0000   36.611   13.434  ?   ?       ?      ? 
1 1 1    9   17   55 o   19.626   9.4843 -10.9210   7.6522 -10.9210   7.6522   0.0000   0.0000   19.626   9.4843  ?   ?       ?      ? 
1 1 1    9   17   56 o   21.157   9.9996  -7.3770   7.5526  -7.3770   7.5526   0.0000   0.0000   21.157   9.9996  ?   ?       ?      ? 
1 1 1    9   17   57 o   43.762   13.054   15.043   8.3280   15.043   8.3280   0.0000   0.0000   43.762   13.054  ?   ?       ?      ? 
1 1 1    9   17   58 o   40.086   13.272   12.350   8.3965   12.350   8.3965   0.0000   0.0000   40.086   13.272  ?   ?       ?      ? 
1 1 1    9   17   59 o   27.074   11.653   0.9951   7.7338   0.9951   7.7338   0.0000   0.0000   27.074   11.653  ?   ?       ?      ? 
1 1 1    9   17   60 o   29.286   12.246   2.9877   8.1338   2.9877   8.1338   0.0000   0.0000   29.286   12.246  ?   ?       ?      ? 
1 1 1    9   17   61 o   32.654   13.751   4.2075   10.369   4.2075   10.369   0.0000   0.0000   32.654   13.751  ?   ?       ?      ? 
1 1 1    9   17   62 o   37.132   14.338   9.6338   10.231   9.6338   10.231   0.0000   0.0000   37.132   14.338  ?   ?       ?      ? 
1 1 1    9   18    0 o  148.462   5.5082  151.875   10.960  170.414   15.123  131.361   15.908  158.191   7.0545  138.734   8.4614 19.45667 11.01645 
1 1 1    9   18    1 o  195.198   5.1332  260.155   13.537  268.904   18.632  250.374   19.701  198.730   6.9187  191.666   7.5849 7.063690 10.26641 
1 1 1    9   18    2 o  134.653   5.5575  122.779   10.091  115.503   13.484  132.042   15.214  130.172   7.6440  139.133   8.0692 -8.960541 11.11499 
1 1 1    9   18    3 o  108.979   6.1247   80.918   8.9783   79.663   11.950   82.545   13.605  108.058   8.1606  109.900   9.1351 -1.842194 12.24932 
1 1 1    9   18    4 o  161.215   5.3035  176.510   11.543  170.352   15.554  184.060   17.221  158.126   7.2584  164.304   7.7345 -6.177689 10.60695 
1 1 1    9   18    5 o  185.512   5.1183  233.893   12.810  228.595   17.237  240.430   19.146  183.212   6.9426  187.811   7.5227 -4.599625 10.23669 
1 1 1    9   18    6 o  181.957   5.1622  227.192   12.638  249.150   17.494  203.223   18.278  191.293   6.7485  172.622   7.8135 18.67087 10.32439 
1 1 1    9   18    7 o  110.138   6.0656   83.509   8.9551   88.365   12.041   77.500   13.396  113.824   7.8064  106.452   9.2859 7.372513 12.13129 
1 1 1    9   18    8 o   98.856   6.5985   68.980   8.5553   80.665   11.465   54.296   12.852  108.749   7.7797   88.964   10.660 19.78559 13.19707 
1 1 1    9   18    9 o  150.464   5.3702  153.340   10.865  146.484   14.367  162.500   16.607  146.606   7.2316  154.321   7.9411 -7.714752 10.74046 
1 1 1    9   18   10 o  145.447   5.4284  144.298   10.610  144.299   14.122  144.297   16.076  145.510   7.1616  145.383   8.1598 0.1265717 10.85687 
1 1 1    9   18   11 o   75.157   10.312   35.132   8.9317   30.007   10.164   52.512   18.716   65.028   11.975   85.286   16.792 -20.25749 20.62438 
1 1 1    9   18   12 o   94.885   7.8426   58.265   7.9176   56.171   8.7333   67.934   18.763   90.779   7.0992   98.991   13.987 -8.211922 15.68529 
1 1 1    9   18   13 o   46.073   8.5155   17.873   6.8565   26.111   7.5813 -19.1346   16.069   61.772   9.0567   30.374   14.423 31.39799 17.03096 
1 1 1    9   18   14 o  122.549   8.4210  106.761   13.350  116.608   17.057   91.192   21.449  130.435   9.6498  114.664   13.803 15.77047 16.84204 
1 1 1    9   18   15 o   66.044   14.603   31.484   12.722   31.484   12.722   0.0000   0.0000   66.044   14.603  ?   ?       ?      ? 
1 1 1    9   18   16 o   35.014   10.235  -0.3092   8.8877   9.4849   10.923 -19.4962   15.289   40.878   15.022   29.150   13.906 11.72812 20.47003 
1 1 1    9   18   17 o   57.591   11.525   24.793   9.6933   30.773   12.317   15.062   15.712   65.286   14.316   49.897   18.064 15.38890 23.04917 
1 1 1    9   18   18 o   46.877   11.062   11.665   7.6000   7.5969   8.8501   23.090   14.832   36.768   13.520   56.986   17.513 -20.21819 22.12407 
1 1 1    9   18   19 o   81.675   9.1143   45.514   8.6779   43.874   10.078   50.215   17.064   79.969   9.3001   83.380   15.678 -3.411407 18.22851 
1 1 1    9   18   20 o   74.674   9.8443   43.090   8.5152   47.413   10.059   32.156   15.997   83.156   8.9263   66.192   17.549 16.96362 19.68857 
1 1 1    9   18   21 o   31.904   9.3042   0.6763   7.1928   7.8201   8.3285 -20.2910   14.268   36.434   13.158   27.374   13.158 9.060335 18.60843 
1 1 1    9   18   22 o  145.138   6.7714  143.340   12.068  141.300   14.270  148.462   22.614  143.786   7.3236  146.491   11.392 -2.705276 13.54273 
1 1 1    9   18   23 o  157.687   6.7564  174.831   12.918  179.882   15.322  162.417   24.021  162.272   6.9678  153.102   11.578 9.170929 13.51277 
1 1 1    9   18   24 o   78.432   9.3560   41.282   8.7358   38.386   10.199   49.261   16.929   74.603   10.088   82.262   15.760 -7.659615 18.71200 
1 1 1    9   18   25 o   76.384   10.239   48.388   8.9620   56.231   10.582   28.490   16.855   90.481   8.6301   62.287   18.570 28.19456 20.47707 
1 1 1    9   18   26 o   87.963   8.9691   53.238   10.691   53.238   10.691   0.0000   0.0000   87.963   8.9691  ?   ?       ?      ? 
1 1 1    9   18   27 o   63.555   11.869   28.982   9.8461   28.982   9.8461   0.0000   0.0000   63.555   11.869  ?   ?       ?      ? 
1 1 1    9   18   28 o   61.536   10.869   27.545   8.2774   27.430   9.6380   27.868   16.158   61.729   11.954   61.344   18.157 0.3850784 21.73880 
1 1 1    9   18   29 o   35.125   9.9664   4.5011   7.3849   8.9803   8.6570  -7.4696   14.152   37.917   13.446   32.334   14.715 5.582771 19.93282 
1 1 1    9   18   30 o   48.818   10.816   17.134   7.5711   18.137   8.9228   14.556   14.307   49.846   13.055   47.791   17.248 2.054817 21.63119 
1 1 1    9   18   31 o   82.241   9.4398   53.156   8.8253   59.296   10.530   38.656   16.180   92.750   8.3775   71.732   16.919 21.01801 18.87958 
1 1 1    9   18   32 o   59.385   10.075   27.719   7.9051   31.947   9.5071   18.247   14.230   67.728   10.359   51.041   17.283 16.68675 20.14949 
1 1 1    9   18   33 o   92.994   8.0252   63.526   9.2245   68.802   11.286   52.907   16.011   99.819   8.3432   86.170   13.712 13.64955 16.05036 
1 1 1    9   18   34 o   78.883   7.9473   41.393   7.4151   39.106   8.5062   48.631   15.133   75.213   8.3456   82.553   13.527 -7.339897 15.89459 
1 1 1    9   18   35 o   34.334   9.6245   5.6567   6.1658   7.5103   6.9818  -0.9116   13.143   34.329   12.085   34.339   14.982 -0.1002884E-01 19.24894 
1 1 1    9   18   36 o   64.343   8.7639   26.133   6.5811   21.682   7.5338   40.468   13.521   54.749   10.537   73.936   14.007 -19.18707 17.52789 
1 1 1    9   18   37 f   52.455   8.7753   24.489   6.4564   31.282   7.4968   4.9838   12.703   67.167   8.2365   37.743   15.498 29.42390 17.55064 
1 1 1    9   18   38 o   57.138   9.3868   24.755   6.5699   25.845   7.6296   21.628   12.922   60.816   9.2577   53.460   16.332 7.355240 18.77354 
1 1 1    9   18   39 o   49.552   10.545   18.372   7.4816   18.635   9.3159   17.895   12.556   49.848   13.471   49.257   16.226 0.5911522 21.08928 
1 1 1    9   18   40 o   72.530   9.2159   40.506   8.2753   44.871   10.358   32.804   13.759   79.891   9.5675   65.169   15.754 14.72243 18.43188 
1 1 1    9   18   41 o   44.093   8.9235   13.101   7.4385   26.704   9.5256  -8.1572   11.908   59.960   12.140   28.227   13.082 31.73263 17.84702 
1 1 1    9   18   42 o   32.667   9.2141   2.6292   6.9875   10.366   8.8339 -10.3011   11.420   38.895   13.600   26.439   12.435 12.45593 18.42810 
1 1 1    9   18   43 o   23.711   7.9453  -9.6570   6.7079  -7.0521   8.4673 -14.0467   10.992   23.274   10.869   24.147   11.592 -0.8726521 15.89051 
1 1 1    9   18   44 o   58.092   10.464   26.355   8.0690   26.589   10.119   25.945   13.371   59.137   12.983   57.047   16.414 2.089874 20.92779 
1 1 1    9   18   45 o   53.777   10.327   18.922   7.9209   9.6044   9.6988   37.583   13.726   38.295   14.141   69.259   15.054 -30.96388 20.65436 
1 1 1    9   18   46 f   51.708   10.747   19.825   7.7571   16.211   9.5770   26.718   13.227   45.895   14.067   57.521   16.251 -11.62608 21.49364 
1 1 1    9   18   47 o   46.335   16.740   16.049   13.483   16.049   13.483   0.0000   0.0000   46.335   16.740  ?   ?       ?      ? 
1 1 1    9   18   48 o   47.114   16.666   17.105   13.292   17.105   13.292   0.0000   0.0000   47.114   16.666  ?   ?       ?      ? 
1 1 1    9   18   49 o   69.673   16.205   39.702   15.012   39.702   15.012   0.0000   0.0000   69.673   16.205  ?   ?       ?      ? 
1 1 1    9   18   50 o   57.998   12.389   25.921   9.4415   25.921   9.4415   0.0000   0.0000   57.998   12.389  ?   ?       ?      ? 
1 1 1    9   18   51 o   52.735   12.591   21.670   8.8740   21.670   8.8740   0.0000   0.0000   52.735   12.591  ?   ?       ?      ? 
1 1 1    9   18   52 o   47.327   13.039   17.662   8.6302   17.662   8.6302   0.0000   0.0000   47.327   13.039  ?   ?       ?      ? 
1 1 1    9   18   53 o   28.224   11.933   1.9845   7.8590   1.9845   7.8590   0.0000   0.0000   28.224   11.933  ?   ?       ?      ? 
1 1 1    9   18   54 o   33.121   12.689   6.7915   7.9697   6.7915   7.9697   0.0000   0.0000   33.121   12.689  ?   ?       ?      ? 
1 1 1    9   18   55 o   26.378   11.488   0.2413   7.6955   0.2413   7.6955   0.0000   0.0000   26.378   11.488  ?   ?       ?      ? 
1 1 1    9   18   56 o   59.830   11.230   27.489   8.7706   27.489   8.7706   0.0000   0.0000   59.830   11.230  ?   ?       ?      ? 
1 1 1    9   18   57 o   34.781   12.864   8.4672   8.0330   8.4672   8.0330   0.0000   0.0000   34.781   12.864  ?   ?       ?      ? 
1 1 1    9   19    0 o  126.859   5.7929  109.938   9.8773  108.813   13.126  111.408   14.997  126.186   7.6761  127.531   8.6779 -1.345345 11.58573 
1 1 1    9   19    1 o  135.853   5.6205  125.974   10.271  124.314   13.678  128.121   15.553  134.900   7.4821  136.807   8.3891 -1.907104 11.24091 
1 1 1    9   19    2 o  136.743   5.5297  126.664   10.185  117.679   13.526  138.429   15.478  131.227   7.6060  142.259   8.0286 -11.03142 11.05941 
1 1 1    9   19    3 f  117.295   6.0296   95.485   9.4424  104.340   12.721   84.620   14.091  123.562   7.5974  111.029   9.3650 12.53325 12.05920 
1 1 1    9   19    4 o   77.666   8.8430   42.629   9.0286   40.090   13.322   44.785   12.278   74.798   13.646   80.534   11.251 -5.735352 17.68596 
1 1 1    9   19    5 o   48.365   11.636   15.439   9.7887   22.401   12.024   1.7573   16.856   55.628   15.417   41.101   17.432 14.52733 23.27133 
1 1 1    9   19    6 o  119.935   8.4673   98.009   13.319   93.434   16.677  106.067   22.133  116.422   10.570  123.448   13.230 -7.025810 16.93450 
1 1 1    9   19    7 o  177.720   7.5486  219.239   17.803  225.182   23.147  210.632   27.855  181.032   9.4354  174.409   11.785 6.623398 15.09715 
1 1 1    9   19    8 o  161.940   6.8272  173.132   13.511  164.276   15.796  197.276   26.082  155.004   7.5200  168.876   11.397 -13.87161 13.65437 
1 1 1    9   19    9 o  155.118   7.1064  169.612   13.103  174.156   15.356  157.446   25.126  159.663   7.0973  150.574   12.314 9.088806 14.21273 
1 1 1    9   19   10 o  147.047   5.6083  150.264   11.003  167.686   14.938  129.604   16.268  156.667   7.0363  137.427   8.7351 19.23985 11.21658 
1 1 1    9   19   11 o   89.928   9.3199   59.845   9.4262   62.750   11.006   51.848   18.262   95.645   8.4912   84.211   16.593 11.43419 18.63972 
1 1 1    9   19   12 o   42.152   9.4990   13.402   6.5063   17.822   7.1925  -6.5010   15.263   49.829   10.950   34.474   15.525 15.35590 18.99796 
1 1 1    9   19   13 o  120.165   6.9028   96.043   8.9483   93.847   9.9434  105.399   20.522  117.275   6.2567  123.054   12.306 -5.778976 13.80554 
1 1 1    9   19   14 o  113.222   7.4909   92.197   8.9232   94.477   9.9614   82.937   20.074  117.658   6.2476  108.785   13.617 8.873161 14.98178 
1 1 1    9   19   15 o   59.972   9.9392   31.006   7.1673   35.478   8.0113   13.077   16.042   71.899   8.2224   48.044   18.098 23.85493 19.87844 
1 1 1    9   19   16 o   26.049   8.4226  -4.1612   6.1155   0.1335   6.7750 -23.0553   14.210   25.813   11.003   26.286   12.755 -0.4731236 16.84526 
1 1 1    9   19   17 o   93.144   8.7379   62.948   8.3290   64.024   9.3061   58.617   18.672   96.714   7.1007   89.574   15.968 7.139397 17.47573 
1 1 1    9   19   18 o   91.170   7.2268   56.935   8.9286   56.935   8.9286   0.0000   0.0000   91.170   7.2268  ?   ?       ?      ? 
1 1 1    9   19   19 o   97.581   8.3106   65.484   10.990   65.484   10.990   0.0000   0.0000   97.581   8.3106  ?   ?       ?      ? 
1 1 1    9   19   20 o   85.556   8.9032   50.480   10.322   50.480   10.322   0.0000   0.0000   85.556   8.9032  ?   ?       ?      ? 
1 1 1    9   19   21 o   48.460   11.313   17.013   7.2939   17.013   7.2939   0.0000   0.0000   48.460   11.313  ?   ?       ?      ? 
1 1 1    9   19   22 o   87.388   8.9134   58.594   7.8966   61.498   8.8854   47.683   17.225   94.721   6.9223   80.055   16.428 14.66541 17.82679 
1 1 1    9   19   23 o   83.545   8.9764   53.966   7.6487   56.876   8.6247   43.249   16.552   91.060   6.9893   76.029   16.536 15.03070 17.95272 
1 1 1    9   19   24 o   64.541   9.6661   28.823   6.9402   27.862   7.7822   32.557   15.341   63.446   9.0514   65.636   17.082 -2.189716 19.33211 
1 1 1    9   19   25 o   93.140   7.8578   63.770   7.9376   66.080   8.9838   55.546   16.948   98.142   6.7549   88.138   14.190 10.00417 15.71563 
1 1 1    9   19   26 o   71.200   9.3572   39.003   7.1346   40.800   8.0709   32.578   15.261   76.940   7.7409   65.460   17.038 11.47971 18.71432 
1 1 1    9   19   27 o  102.020   6.9604   70.648   7.9602   69.168   8.9773   76.092   17.218  100.381   6.5995  103.659   12.257 -3.277596 13.92078 
1 1 1    9   19   28 o   74.270   8.7112   37.991   7.0910   36.602   8.0033   43.062   15.294   72.747   8.1184   75.792   15.415 -3.045189 17.42238 
1 1 1    9   19   29 o   85.297   8.4647   55.679   7.7087   58.765   8.8441   45.921   15.727   92.372   7.0653   78.222   15.385 14.14945 16.92937 
1 1 1    9   19   30 o   90.594   7.7570   61.397   7.8374   64.601   9.0076   51.413   15.901   96.858   6.8626   84.331   13.914 12.52708 15.51408 
1 1 1    9   19   31 o   40.152   9.7307   11.459   6.2445   13.805   7.1219   3.6571   12.987   43.325   11.808   36.980   15.470 6.344803 19.46136 
1 1 1    9   19   32 o   46.246   10.192   13.893   6.2274   11.969   7.0977   20.329   12.980   40.530   12.043   51.963   16.447 -11.43367 20.38490 
1 1 1    9   19   33 o   57.843   9.4175   28.607   6.7877   33.018   7.8190   15.116   13.674   68.845   8.3810   46.840   16.868 22.00486 18.83496 
1 1 1    9   19   34 o   64.596   9.8679   30.174   8.0686   26.779   9.9294   36.774   13.844   59.914   12.628   69.277   15.167 -9.362133 19.73573 
1 1 1    9   19   35 o   36.504   10.223   6.6984   7.4087   8.5109   9.1537   3.2562   12.615   37.065   13.728   35.943   15.153 1.122665 20.44683 
1 1 1    9   19   36 o   42.766   9.8930   13.167   7.5557   20.564   9.3789  -0.5103   12.753   52.032   13.262   33.500   14.683 18.53242 19.78592 
1 1 1    9   19   37 o   61.391   10.434   29.274   8.3071   29.626   10.300   28.620   14.050   62.834   12.536   59.948   16.683 2.885639 20.86856 
1 1 1    9   19   38 o   97.883   8.9019   69.881   11.610   54.576   15.853   87.587   17.051   85.722   13.647  110.043   11.434 -24.32145 17.80389 
1 1 1    9   19   39 o   55.739   11.715   24.835   9.5572   21.448   13.409   28.333   13.626   52.085   16.741   59.392   16.393 -7.307522 23.43073 
1 1 1    9   19   40 o   39.997   10.952   9.0770   8.7710   2.9900   12.747   14.550   12.087   35.381   15.087   44.613   15.881 -9.231712 21.90471 
1 1 1    9   19   41 o   34.511   10.056  -0.0582   8.4465   13.176   12.347 -11.7004   11.580   43.242   15.958   25.780   12.243 17.46199 20.11297 
1 1 1    9   19   42 o   30.411   13.720  -3.2520   11.983  -3.2520   11.983   0.0000   0.0000   30.411   13.720  ?   ?       ?      ? 
1 1 1    9   19   43 o   35.110   13.289   7.6729   8.6749   7.6729   8.6749   0.0000   0.0000   35.110   13.289  ?   ?       ?      ? 
1 1 1    9   19   44 o   31.103   12.748   3.8847   8.5746   3.8847   8.5746   0.0000   0.0000   31.103   12.748  ?   ?       ?      ? 
1 1 1    9   19   45 o   37.625   13.414   10.039   8.6267   10.039   8.6267   0.0000   0.0000   37.625   13.414  ?   ?       ?      ? 
1 1 1    9   19   46 o   60.147   11.782   27.621   9.2595   27.621   9.2595   0.0000   0.0000   60.147   11.782  ?   ?       ?      ? 
1 1 1    9   19   47 o   31.588   12.585   5.1186   8.0954   5.1186   8.0954   0.0000   0.0000   31.588   12.585  ?   ?       ?      ? 
1 1 1    9   19   48 o   36.263   13.276   9.1210   8.5197   9.1210   8.5197   0.0000   0.0000   36.263   13.276  ?   ?       ?      ? 
1 1 1    9   19   49 o   43.162   13.256   14.689   8.5000   14.689   8.5000   0.0000   0.0000   43.162   13.256  ?   ?       ?      ? 
1 1 1    9   19   50 o   43.798   13.190   15.233   8.4725   15.233   8.4725   0.0000   0.0000   43.798   13.190  ?   ?       ?      ? 
1 1 1    9   19   51 o   19.044   9.2461 -11.2800   7.4932 -11.2800   7.4932   0.0000   0.0000   19.044   9.2461  ?   ?       ?      ? 
1 1 1    9   19   52 f   31.275   12.378   5.4683   7.7825   5.4683   7.7825   0.0000   0.0000   31.275   12.378  ?   ?       ?      ? 
1 1 1    9   20    0 o  114.879   6.0826   90.110   9.4126   84.136   12.507   97.913   14.293  110.580   8.3466  119.178   8.8503 -8.597763 12.16527 
1 1 1    9   20    1 o  114.845   6.3475   93.965   9.4634  121.284   13.178   64.876   13.598  132.997   7.3119   96.692   10.378 36.30446 12.69505 
1 1 1    9   20    2 o  102.646   6.4758   73.511   8.8658   78.014   11.783   67.635   13.460  106.504   8.1643   98.788   10.054 7.715401 12.95155 
1 1 1    9   20    3 o   55.011   9.6109   22.803   7.1626   26.564   9.3580   17.482   11.130   60.700   11.802   49.323   15.172 11.37674 19.22173 
1 1 1    9   20    4 o   81.704   7.6972   48.871   7.9303   58.768   10.633   36.465   11.905   92.364   8.4952   71.043   12.838 21.32092 15.39434 
1 1 1    9   20    5 o  134.956   5.6060  125.104   10.198  124.077   13.712  126.375   15.256  134.433   7.5269  135.479   8.3099 -1.045349 11.21203 
1 1 1    9   20    6 o  105.039   6.2919   75.753   8.9174   71.981   11.963   80.470   13.378  102.168   8.6404  107.910   9.1484 -5.742485 12.58373 
1 1 1    9   20    7 o   91.813   6.7888   58.787   8.3432   61.358   11.126   55.482   12.612   94.301   8.7062   89.325   10.419 4.975746 13.57753 
1 1 1    9   20    8 f   78.938   8.0114   45.280   8.0693   50.851   10.642   37.745   12.377   85.751   9.1582   72.125   13.147 13.62547 16.02271 
1 1 1    9   20    9 o  120.405   7.0561   90.886   10.517   78.395   12.249  125.928   20.516  106.608   8.4788  134.203   11.281 -27.59520 14.11229 
1 1 1    9   20   10 o  103.746   7.7995   73.408   9.7372   71.348   11.341   79.187   18.995  101.738   8.2257  105.754   13.254 -4.016060 15.59909 
1 1 1    9   20   11 o  102.276   6.5059   71.662   9.0171   71.662   9.0171   0.0000   0.0000  102.276   6.5059  ?   ?       ?      ? 
1 1 1    9   20   12 o   75.384   10.643   50.127   7.5431   53.889   8.1860   28.959   19.418   88.631   6.8156   62.138   20.164 26.49302 21.28517 
1 1 1    9   20   13 o   56.874   10.426   21.867   6.4962   20.904   7.0955   26.855   16.151   53.991   10.068   59.758   18.259 -5.766777 20.85129 
1 1 1    9   20   14 f   46.524   10.451   9.9651   6.0297   6.5152   6.5943   27.563   14.893   32.671   11.719   60.377   17.309 -27.70654 20.90269 
1 1 1    9   20   15 o  100.915   8.1487   78.278   8.2572   82.272   9.1856   61.465   18.848  109.584   6.1855   92.247   15.078 17.33781 16.29732 
1 1 1    9   20   16 f   73.876   10.162   50.066   7.5719   56.034   8.4066   24.412   17.429   90.304   6.8696   57.449   19.127 32.85489 20.32305 
1 1 1    9   20   17 o   56.019   10.145   22.085   6.4255   21.494   7.0989   24.764   15.114   54.718   9.9397   57.319   17.689 -2.600590 20.29021 
1 1 1    9   20   18 o   45.755   9.9281   16.095   6.1957   17.935   6.8250   7.4722   14.772   49.724   10.460   41.786   16.878 7.937843 19.85629 
1 1 1    9   20   19 o   49.939   10.030   19.002   6.2540   20.041   6.9225   14.392   14.587   52.712   10.058   47.165   17.355 5.547272 20.05903 
1 1 1    9   20   20 o   64.744   9.7597   37.779   7.0101   42.732   7.8379   17.973   15.673   78.696   7.3496   50.793   18.083 27.90226 19.51945 
1 1 1    9   20   21 o   55.251   9.9712   14.218   6.3365   8.6240   6.9346   42.518   15.597   35.706   12.065   74.797   15.879 -39.09185 19.94246 
1 1 1    9   20   22 o   29.000   9.0248   0.2724   5.8128   1.9094   6.4316  -7.0273   13.582   26.713   11.005   31.286   14.307 -4.573021 18.04959 
1 1 1    9   20   23 o   34.394   9.7892   5.1616   5.8957   5.3644   6.5606   4.3105   13.441   30.923   11.588   37.865   15.780 -6.942184 19.57834 
1 1 1    9   20   24 o   30.415   9.0211   2.5728   5.8958   5.2769   6.6284  -7.6717   12.902   30.862   11.632   29.969   13.792 0.8927879 18.04228 
1 1 1    9   20   25 o   56.548   10.824   22.455   7.6964   19.937   8.9236   29.770   15.208   51.575   12.823   61.522   17.441 -9.947525 21.64718 
1 1 1    9   20   26 o   58.558   11.877   25.380   9.1027   25.380   9.1027   0.0000   0.0000   58.558   11.877  ?   ?       ?      ? 
1 1 1    9   20   27 o   99.643   8.3506   73.773   9.5963   76.332   11.141   66.414   18.890  104.722   7.8506   94.564   14.741 10.15758 16.70117 
1 1 1    9   20   28 o   39.738   10.667   9.3835   7.2635   9.2639   8.4622   9.7183   14.157   37.330   13.288   42.145   16.690 -4.814209 21.33331 
1 1 1    9   20   29 o   47.715   9.6224   18.991   7.4277   26.102   8.8356   1.8571   13.715   59.404   11.390   36.026   15.512 23.37787 19.24485 
1 1 1    9   20   30 o   56.248   10.350   25.430   7.6866   27.432   9.1875   20.761   14.033   60.782   11.577   51.715   17.160 9.067932 20.69982 
1 1 1    9   20   31 o   71.009   9.1317   31.798   8.0596   20.982   9.5308   58.948   15.100   52.287   13.392   89.731   12.418 -37.44437 18.26346 
1 1 1    9   20   32 o   35.234   9.3363   5.8349   7.1254   13.833   8.6696 -10.8152   12.508   42.900   13.423   27.568   12.980 15.33216 18.67269 
1 1 1    9   20   33 o   49.871   10.068   20.804   7.6841   26.698   9.3758   8.7454   13.411   59.507   12.040   40.234   16.141 19.27359 20.13664 
1 1 1    9   20   34 o   49.839   9.6417   21.335   7.6418   29.403   9.2676   4.1977   13.507   62.798   11.306   36.880   15.621 25.91822 19.28332 
1 1 1    9   20   35 o   41.363   9.1707   11.914   7.4009   22.585   9.0940  -9.0155   12.736   54.227   12.613   28.499   13.316 25.72839 18.34135 
1 1 1    9   20   36 o   52.844   13.300   21.764   9.5169   21.764   9.5169   0.0000   0.0000   52.844   13.300  ?   ?       ?      ? 
1 1 1    9   20   37 o   71.295   10.484   36.900   10.129   36.900   10.129   0.0000   0.0000   71.295   10.484  ?   ?       ?      ? 
1 1 1    9   20   38 o   26.159   11.671  -1.8449   8.4090  -1.8449   8.4090   0.0000   0.0000   26.159   11.671  ?   ?       ?      ? 
1 1 1    9   20   39 o   37.400   13.417   9.8459   8.6436   9.8459   8.6436   0.0000   0.0000   37.400   13.417  ?   ?       ?      ? 
1 1 1    9   20   40 o   40.304   13.562   12.258   8.7611   12.258   8.7611   0.0000   0.0000   40.304   13.562  ?   ?       ?      ? 
1 1 1    9   20   41 o   34.865   13.043   7.9583   8.3031   7.9583   8.3031   0.0000   0.0000   34.865   13.043  ?   ?       ?      ? 
1 1 1    9   20   42 o   55.628   12.204   24.017   8.9472   24.017   8.9472   0.0000   0.0000   55.628   12.204  ?   ?       ?      ? 
1 1 1    9   20   43 o   41.143   13.430   13.123   8.6084   13.123   8.6084   0.0000   0.0000   41.143   13.430  ?   ?       ?      ? 
1 1 1    9   20   44 o   55.112   11.966   23.601   8.6807   23.601   8.6807   0.0000   0.0000   55.112   11.966  ?   ?       ?      ? 
1 1 1    9   20   45 f   34.614   12.868   8.1229   8.0569   8.1229   8.0569   0.0000   0.0000   34.614   12.868  ?   ?       ?      ? 
1 1 1    9   20   46 o   26.141   11.444  -0.0348   7.7259  -0.0348   7.7259   0.0000   0.0000   26.141   11.444  ?   ?       ?      ? 
1 1 1    9   20   47 f   29.233   12.080   3.4756   7.7810   3.4756   7.7810   0.0000   0.0000   29.233   12.080  ?   ?       ?      ? 
1 1 1    9   20   48 o   26.199   11.273   1.0653   7.2329   1.0653   7.2329   0.0000   0.0000   26.199   11.273  ?   ?       ?      ? 
1 1 1    9   21    0 o   55.746   11.269   23.671   8.8924   22.145   13.869   24.737   11.588   54.249   16.978   57.244   14.821 -2.995010 22.53725 
1 1 1    9   21    1 o   60.739   10.974   28.707   9.0984   23.211   14.241   32.498   11.827   55.369   17.184   66.109   13.654 -10.73966 21.94787 
1 1 1    9   21    2 o   42.560   11.038   11.000   8.2769   14.814   12.835   8.2838   10.830   46.452   16.382   38.668   14.797 7.783363 22.07573 
1 1 1    9   21    3 o   53.346   9.6470   20.651   6.8840   17.937   8.7979   24.937   11.055   49.124   13.010   57.568   14.248 -8.444504 19.29398 
1 1 1    9   21    4 o   53.632   9.3239   21.533   6.6354   22.054   8.5291   20.733   10.561   54.747   11.841   52.516   14.406 2.230511 18.64784 
1 1 1    9   21    5 o   44.785   9.9296   14.477   6.5836   14.110   8.3850   15.067   10.631   43.879   13.101   45.691   14.925 -1.811771 19.85920 
1 1 1    9   21    6 o   48.582   9.8236   17.159   6.6756   15.260   8.5461   20.132   10.692   45.444   13.136   51.720   14.610 -6.276043 19.64719 
1 1 1    9   21    7 o   29.810   9.0136   0.7844   6.3034   0.8542   7.9919   0.6695   10.254   28.219   11.988   31.400   13.464 -3.180676 18.02729 
1 1 1    9   21    8 o   66.931   8.1022   31.537   7.1230   27.804   9.2276   37.041   11.205   61.690   11.460   72.172   11.457 -10.48279 16.20437 
1 1 1    9   21    9 o   58.130   9.1495   24.839   6.9372   22.985   9.0154   27.531   10.862   55.677   12.279   60.583   13.568 -4.906399 18.29902 
1 1 1    9   21   10 o   27.653   8.8551  -3.0734   6.6395   0.2921   7.5897 -14.0469   13.705   27.042   11.589   28.264   13.392 -1.221518 17.71017 
1 1 1    9   21   11 o   30.874   9.4610   1.3183   5.8690   1.6742   6.4707  -0.3327   13.936   26.477   10.985   35.271   15.407 -8.793787 18.92203 
1 1 1    9   21   12 o   37.420   10.419   6.9984   6.1913   6.9839   6.7488   7.0759   15.556   33.179   11.860   41.660   17.134 -8.481838 20.83806 
1 1 1    9   21   13 o   38.791   10.087   9.3862   5.9920   9.8291   6.6318   7.4177   13.982   37.109   11.758   40.473   16.395 -3.364338 20.17492 
1 1 1    9   21   14 o   42.487   10.073   12.856   6.0516   13.626   6.7043   9.4654   14.060   42.908   11.354   42.067   16.641 0.8407211 20.14519 
1 1 1    9   21   15 o   41.976   10.512   9.7328   6.0846   7.9335   6.7147   17.993   14.387   34.376   11.867   49.575   17.355 -15.19890 21.02414 
1 1 1    9   21   16 f   56.027   10.056   22.925   6.5088   22.373   7.2604   25.183   14.690   55.478   10.026   56.577   17.435 -1.099602 20.11238 
1 1 1    9   21   17 o   46.210   10.351   15.017   6.1704   14.729   6.8185   16.323   14.501   44.501   11.289   47.920   17.354 -3.419861 20.70238 
1 1 1    9   21   18 o   62.527   9.5497   37.273   6.9842   43.372   7.8357   13.692   15.406   79.011   7.3183   46.044   17.642 32.96749 19.09936 
1 1 1    9   21   19 o   69.512   9.9756   37.616   8.0173   38.838   9.2683   33.982   15.979   74.188   9.2190   64.835   17.693 9.353218 19.95112 
1 1 1    9   21   20 o   42.662   10.261   13.660   7.1025   16.463   8.2352   5.5202   14.033   46.629   12.693   38.695   16.125 7.934189 20.52117 
1 1 1    9   21   21 o   71.272   9.6662   37.022   8.1131   35.532   9.4381   41.237   15.879   70.662   9.8564   71.882   16.631 -1.219788 19.33232 
1 1 1    9   21   22 o   98.457   8.9529   78.451   9.7124   87.089   11.526   57.296   18.038  111.658   7.6174   85.256   16.205 26.40218 17.90581 
1 1 1    9   21   23 o   71.294   9.9696   39.872   8.3817   41.295   9.8437   36.121   15.983   76.190   9.5341   66.398   17.512 9.792030 19.93929 
1 1 1    9   21   24 o   25.409   8.5363 -10.9514   6.5932 -13.8323   7.6384  -2.5329   13.057   18.508   9.0616   32.309   14.469 -13.80123 17.07264 
1 1 1    9   21   25 o   45.758   9.2558   17.688   7.3941   26.127   8.6723  -4.7765   14.150   59.168   11.227   32.349   14.719 26.81925 18.51150 
1 1 1    9   21   26 o   60.357   10.477   27.649   7.8003   26.200   9.1205   31.595   15.052   58.913   11.835   61.801   17.293 -2.887997 20.95493 
1 1 1    9   21   27 o   81.695   9.4779   53.103   8.7849   56.121   10.341   45.276   16.653   89.020   8.5719   74.371   16.907 14.64883 18.95574 
1 1 1    9   21   28 o   58.475   10.625   26.009   7.6580   24.585   8.8473   30.265   15.292   56.899   11.859   60.050   17.633 -3.151344 21.24980 
1 1 1    9   21   29 o   51.616   10.432   22.159   7.4793   24.292   8.7788   16.511   14.285   56.502   11.844   46.730   17.177 9.771786 20.86491 
1 1 1    9   21   30 o   22.982   10.559  -4.3299   7.5182  -4.3299   7.5182   0.0000   0.0000   22.982   10.559  ?   ?       ?      ? 
1 1 1    9   21   31 o   27.335   11.733   0.8850   7.8002   0.8850   7.8002   0.0000   0.0000   27.335   11.733  ?   ?       ?      ? 
1 1 1    9   21   32 o   35.335   13.137   8.2225   8.3987   8.2225   8.3987   0.0000   0.0000   35.335   13.137  ?   ?       ?      ? 
1 1 1    9   21   33 o   53.384   12.476   22.166   8.8633   22.166   8.8633   0.0000   0.0000   53.384   12.476  ?   ?       ?      ? 
1 1 1    9   21   34 o   22.932   10.632  -5.2563   7.8736  -5.2563   7.8736   0.0000   0.0000   22.932   10.632  ?   ?       ?      ? 
1 1 1    9   21   35 o   42.220   13.771   13.868   9.0526   13.868   9.0526   0.0000   0.0000   42.220   13.771  ?   ?       ?      ? 
1 1 1    9   21   36 o   43.775   13.441   15.129   8.7394   15.129   8.7394   0.0000   0.0000   43.775   13.441  ?   ?       ?      ? 
1 1 1    9   21   37 o   57.114   12.172   25.379   9.1324   25.379   9.1324   0.0000   0.0000   57.114   12.172  ?   ?       ?      ? 
1 1 1    9   21   38 o   71.218   10.235   37.285   9.8781   37.285   9.8781   0.0000   0.0000   71.218   10.235  ?   ?       ?      ? 
1 1 1    9   21   39 o   37.692   13.371   10.521   8.5617   10.521   8.5617   0.0000   0.0000   37.692   13.371  ?   ?       ?      ? 
1 1 1    9   21   40 f   56.396   12.000   24.898   8.8895   24.898   8.8895   0.0000   0.0000   56.396   12.000  ?   ?       ?      ? 
1 1 1    9   21   41 o   58.427   11.406   26.444   8.7070   26.444   8.7070   0.0000   0.0000   58.427   11.406  ?   ?       ?      ? 
1 1 1    9   21   42 o   45.479   13.022   16.783   8.4349   16.783   8.4349   0.0000   0.0000   45.479   13.022  ?   ?       ?      ? 
1 1 1    9   21   43 o   33.500   14.021   5.2104   10.675   5.2104   10.675   0.0000   0.0000   33.500   14.021  ?   ?       ?      ? 
1 1 1    9   22    0 o   47.711   9.0159   18.580   6.7999   27.105   8.5776   4.1587   11.156   60.682   10.828   34.740   14.419 25.94183 18.03184 
1 1 1    9   22    1 o  114.647   5.9890   91.856   9.1594   89.494   11.887   95.307   14.370  113.178   7.7503  116.116   9.1327 -2.938087 11.97802 
1 1 1    9   22    2 o  107.350   6.1249   78.391   8.7492   66.604   11.166   97.142   14.082   97.341   8.4646  117.358   8.8548 -20.01672 12.24981 
1 1 1    9   22    3 o   25.247   8.1929  -4.6070   6.0987  -4.2796   7.5752  -5.2102   10.282   23.307   10.668   27.186   12.438 -3.878788 16.38577 
1 1 1    9   22    4 o   51.163   9.6225   19.140   6.6604   15.432   8.3967   25.432   10.938   45.080   13.018   57.245   14.174 -12.16544 19.24498 
1 1 1    9   22    5 o   57.630   9.0486   25.608   6.8316   27.773   8.6300   21.974   11.181   62.300   10.222   52.960   14.934 9.339287 18.09711 
1 1 1    9   22    6 o   48.000   9.4379   18.547   6.6844   23.489   8.4823   10.448   10.858   56.014   11.558   39.986   14.923 16.02835 18.87575 
1 1 1    9   22    7 o   53.632   9.3182   20.639   6.7962   13.565   8.6845   31.818   10.917   42.531   13.453   64.733   12.898 -22.20156 18.63641 
1 1 1    9   22    8 o   61.652   8.9932   28.876   7.1482   28.959   9.2495   28.754   11.264   62.393   11.358   60.911   13.946 1.481487 17.98640 
1 1 1    9   22    9 o   36.416   9.6118   6.1744   6.5285   0.8533   8.2755   14.943   10.624   28.252   12.104   44.579   14.934 -16.32699 19.22352 
1 1 1    9   22   10 o   42.165   10.286   8.9876   8.9865   24.404   12.022 -10.5328   13.528   55.366   15.441   28.964   13.594 26.40157 20.57264 
1 1 1    9   22   11 o   48.387   11.816   18.081   9.3229   18.886   11.872   16.786   15.059   49.079   15.750   47.696   17.619 1.383022 23.63278 
1 1 1    9   22   12 o   52.002   11.315   21.992   9.3917   29.478   12.285   11.463   14.569   60.974   14.976   43.030   16.966 17.94454 22.62994 
1 1 1    9   22   13 o   94.887   9.9788   71.106   11.899   86.621   16.104   52.446   17.661  109.266   10.876   80.507   16.734 28.75954 19.95753 
1 1 1    9   22   14 o   60.070   12.174   29.761   10.328   29.331   13.484   30.372   16.065   60.052   16.197   60.089   18.178 -0.3725433E-01 24.34716 
1 1 1    9   22   15 o   44.696   11.647   14.418   9.4933   18.167   12.567   9.4359   14.487   48.136   16.242   41.256   16.696 6.880188 23.29351 
1 1 1    9   22   16 o   73.489   9.8817   42.818   8.3608   44.216   9.7409   38.905   16.294   78.745   9.1283   68.234   17.529 10.51192 19.76335 
1 1 1    9   22   17 o   69.051   10.030   42.209   8.2096   48.410   9.6387   25.823   15.668   82.591   8.6120   55.512   18.118 27.07986 20.06044 
1 1 1    9   22   18 o   33.728   9.8801   4.5392   6.5942   4.3023   7.6050   5.2571   13.237   30.383   12.167   37.073   15.570 -6.690378 19.76020 
1 1 1    9   22   19 o   45.003   10.264   16.569   7.2663   19.725   8.4371   7.5085   14.298   50.522   12.413   39.483   16.350 11.03891 20.52792 
1 1 1    9   22   20 o   82.314   8.3636   47.582   8.4052   44.259   9.8159   56.716   16.273   78.606   9.2149   86.022   13.960 -7.415672 16.72719 
1 1 1    9   22   21 o   47.283   10.542   18.012   7.3028   19.229   8.6086   14.888   13.792   49.672   12.731   44.893   16.807 4.778244 21.08383 
1 1 1    9   22   22 o   51.858   12.334   20.835   8.5410   20.835   8.5410   0.0000   0.0000   51.858   12.334  ?   ?       ?      ? 
1 1 1    9   22   23 o   30.096   12.316   3.6861   7.9887   3.6861   7.9887   0.0000   0.0000   30.096   12.316  ?   ?       ?      ? 
1 1 1    9   22   24 o   30.976   12.416   4.6707   7.9280   4.6707   7.9280   0.0000   0.0000   30.976   12.416  ?   ?       ?      ? 
1 1 1    9   22   25 o   43.771   13.072   15.001   8.3468   15.001   8.3468   0.0000   0.0000   43.771   13.072  ?   ?       ?      ? 
1 1 1    9   22   26 o   36.683   12.930   9.6934   7.9945   9.6934   7.9945   0.0000   0.0000   36.683   12.930  ?   ?       ?      ? 
1 1 1    9   22   27 o   25.757   11.210   0.0749   7.3169   0.0749   7.3169   0.0000   0.0000   25.757   11.210  ?   ?       ?      ? 
1 1 1    9   22   28 o   30.498   12.260   4.5246   7.7540   4.5246   7.7540   0.0000   0.0000   30.498   12.260  ?   ?       ?      ? 
1 1 1    9   22   29 o   43.236   13.033   14.750   8.2690   14.750   8.2690   0.0000   0.0000   43.236   13.033  ?   ?       ?      ? 
1 1 1    9   22   30 f   36.370   12.939   9.5769   8.0231   9.5769   8.0231   0.0000   0.0000   36.370   12.939  ?   ?       ?      ? 
1 1 1    9   22   31 o   45.948   12.643   16.769   8.1200   16.769   8.1200   0.0000   0.0000   45.948   12.643  ?   ?       ?      ? 
1 1 1    9   22   32 o   21.683   10.124  -5.5136   7.3405  -5.5136   7.3405   0.0000   0.0000   21.683   10.124  ?   ?       ?      ? 
1 1 1    9   22   33 o   23.226   10.573  -2.9929   7.3131  -2.9929   7.3131   0.0000   0.0000   23.226   10.573  ?   ?       ?      ? 
1 1 1    9   22   34 o   19.405   9.3006  -8.4693   7.0134  -8.4693   7.0134   0.0000   0.0000   19.405   9.3006  ?   ?       ?      ? 
1 1 1    9   22   35 o   31.871   12.612   5.9046   8.0783   5.9046   8.0783   0.0000   0.0000   31.871   12.612  ?   ?       ?      ? 
1 1 1    9   22   36 o   43.783   13.191   15.660   8.4721   15.660   8.4721   0.0000   0.0000   43.783   13.191  ?   ?       ?      ? 
1 1 1    9   22   37 o   29.379   12.011   4.1190   7.5878   4.1190   7.5878   0.0000   0.0000   29.379   12.011  ?   ?       ?      ? 
1 1 1    9   23    0 o   40.115   10.362   11.237   7.4319   14.466   10.560   8.0682   10.461   43.434   14.888   36.795   14.417 6.639183 20.72426 
1 1 1    9   23    1 o   43.921   9.9979   13.361   7.5696   24.443   10.962   3.2608   10.465   55.168   14.480   32.674   13.790 22.49470 19.99574 
1 1 1    9   23    2 o   36.888   9.5969   6.0177   7.3049   17.546   10.418  -5.1313   10.245   46.966   14.718   26.810   12.321 20.15687 19.19388 
1 1 1    9   23    3 o   37.896   9.9212   8.9707   7.1272   2.9180   10.142   14.877   10.018   32.020   13.548   43.772   14.498 -11.75173 19.84243 
1 1 1    9   23    4 o   40.101   10.883   10.702   8.4921   14.285   10.578   4.2077   14.242   43.182   14.895   37.019   15.871 6.163509 21.76545 
1 1 1    9   23    5 o   38.209   10.806   8.2256   8.1756   7.3232   10.160   9.8833   13.771   35.797   14.150   40.622   16.335 -4.825378 21.61170 
1 1 1    9   23    6 o   30.516   9.6588  -2.0310   7.8668  -3.9392   9.8120   1.4030   13.163   26.834   12.228   34.198   14.955 -7.364590 19.31755 
1 1 1    9   23    7 o   40.440   10.842   8.7759   8.1910   2.7337   10.241   19.506   13.647   31.934   13.568   48.946   16.916 -17.01278 21.68496 
1 1 1    9   23    8 o   35.003   9.8246   6.3367   7.1181   2.3278   10.120   10.262   10.014   31.469   13.431   38.537   14.342 -7.068251 19.64912 
1 1 1    9   23    9 o   35.312   10.440   5.0108   8.0912   4.3066   10.135   6.2487   13.437   33.045   13.731   37.579   15.730 -4.534447 20.87990 
1 1 1    9   23   10 o   30.098   9.5312  -1.6244   7.9379   0.8341   10.029  -5.7488   12.989   30.209   13.135   29.987   13.815 0.2218609 19.06238 
1 1 1    9   23   11 o   44.215   10.634   14.251   6.8394   13.095   7.8532   17.881   13.917   41.166   12.758   47.265   17.017 -6.098553 21.26883 
1 1 1    9   23   12 o   42.633   10.014   14.721   6.7828   17.233   7.8295   7.1636   13.579   47.019   12.187   38.248   15.894 8.770702 20.02873 
1 1 1    9   23   13 o   35.134   12.624   8.6206   7.6555   8.6206   7.6555   0.0000   0.0000   35.134   12.624  ?   ?       ?      ? 
1 1 1    9   23   14 o   33.168   12.628   6.8563   7.8631   6.8563   7.8631   0.0000   0.0000   33.168   12.628  ?   ?       ?      ? 
1 1 1    9   23   15 o   82.395   8.6354   48.653   9.6419   48.653   9.6419   0.0000   0.0000   82.395   8.6354  ?   ?       ?      ? 
1 1 1    9   23   16 o   60.664   11.153   27.982   8.8309   27.982   8.8309   0.0000   0.0000   60.664   11.153  ?   ?       ?      ? 
1 1 1    9   23   17 o   34.671   12.890   8.0787   8.0858   8.0787   8.0858   0.0000   0.0000   34.671   12.890  ?   ?       ?      ? 
1 1 1    9   23   18 o   56.666   11.503   24.711   8.5312   24.711   8.5312   0.0000   0.0000   56.666   11.503  ?   ?       ?      ? 
1 1 1    9   23   19 o   32.786   12.370   6.9084   7.5008   6.9084   7.5008   0.0000   0.0000   32.786   12.370  ?   ?       ?      ? 
1 1 1    9   23   20 o   37.185   12.615   10.396   7.5812   10.396   7.5812   0.0000   0.0000   37.185   12.615  ?   ?       ?      ? 
1 1 1    9   23   21 o   31.195   12.133   5.6938   7.3676   5.6938   7.3676   0.0000   0.0000   31.195   12.133  ?   ?       ?      ? 
1 1 1    9   23   22 o   41.587   12.565   13.660   7.6793   13.660   7.6793   0.0000   0.0000   41.587   12.565  ?   ?       ?      ? 
1 1 1    9   23   23 o   59.498   11.239   27.264   8.7295   27.264   8.7295   0.0000   0.0000   59.498   11.239  ?   ?       ?      ? 
1 1 1    9   23   24 o   25.944   11.310   0.2896   7.4752   0.2896   7.4752   0.0000   0.0000   25.944   11.310  ?   ?       ?      ? 
1 1 1    9   23   25 o   30.771   12.206   5.2796   7.5834   5.2796   7.5834   0.0000   0.0000   30.771   12.206  ?   ?       ?      ? 
1 1 1    9   23   26 o   22.287   10.277  -3.9908   7.2112  -3.9908   7.2112   0.0000   0.0000   22.287   10.277  ?   ?       ?      ? 
1 1 1    9   23   27 o   42.297   13.022   14.512   8.1964   14.512   8.1964   0.0000   0.0000   42.297   13.022  ?   ?       ?      ? 
1 1 1    9   23   28 o   27.847   11.736   2.5422   7.5628   2.5422   7.5628   0.0000   0.0000   27.847   11.736  ?   ?       ?      ? 
1 1 1    9   23   29 f   44.778   12.760   16.443   8.1184   16.443   8.1184   0.0000   0.0000   44.778   12.760  ?   ?       ?      ? 
1 1 1    9   23   30 o   46.060   12.847   17.533   8.3214   17.533   8.3214   0.0000   0.0000   46.060   12.847  ?   ?       ?      ? 
1 1 1    9   23   31 o   32.150   12.293   6.9996   7.4704   6.9996   7.4704   0.0000   0.0000   32.150   12.293  ?   ?       ?      ? 
1 1 1    9   23   32 o   29.289   12.672   2.2799   9.2426   2.2799   9.2426   0.0000   0.0000   29.289   12.672  ?   ?       ?      ? 
1 1 1    9   24    0 o   45.272   11.125   14.761   8.4906   7.8936   10.810   25.820   13.718   36.246   14.509   54.297   16.868 -18.05165 22.24914 
1 1 1    9   24    1 o   49.109   11.390   19.922   8.5689   17.471   10.903   23.882   13.857   45.995   15.119   52.222   17.039 -6.227631 22.77964 
1 1 1    9   24    2 o   40.743   11.008   12.188   8.3982   12.639   10.874   11.522   13.220   40.754   14.986   40.732   16.129 0.2274323E-01 22.01639 
1 1 1    9   24    3 o   32.110   9.9769   0.6641   8.1656  -1.9841   10.412   4.8954   13.161   28.457   12.818   35.763   15.292 -7.306192 19.95381 
1 1 1    9   24    4 o   33.317   10.211   2.4811   8.2884   0.5815   10.540   5.5586   13.416   30.249   13.301   36.386   15.496 -6.137785 20.42185 
1 1 1    9   24    5 o   35.012   10.378   2.6108   8.3992  -4.2719   10.700   13.662   13.558   27.476   12.613   42.547   16.484 -15.07061 20.75611 
1 1 1    9   24    6 o   39.647   10.555   10.572   8.5756   18.377   11.076  -1.1061   13.549   46.849   15.231   32.444   14.617 14.40506 21.11028 
1 1 1    9   24    7 o   44.980   11.047   16.439   8.9832   23.996   11.855   6.2464   13.767   52.952   15.519   37.008   15.728 15.94344 22.09500 
1 1 1    9   24    8 o   40.095   15.198   11.980   11.357   11.980   11.357   0.0000   0.0000   40.095   15.198  ?   ?       ?      ? 
1 1 1    9   24    9 o   30.772   12.199   5.2864   7.5708   5.2864   7.5708   0.0000   0.0000   30.772   12.199  ?   ?       ?      ? 
1 1 1    9   24   10 o   29.959   12.173   4.3660   7.7342   4.3660   7.7342   0.0000   0.0000   29.959   12.173  ?   ?       ?      ? 
1 1 1    9   24   11 o   19.244   9.2566  -9.0081   7.0884  -9.0081   7.0884   0.0000   0.0000   19.244   9.2566  ?   ?       ?      ? 
1 1 1    9   24   12 f   23.292   10.617  -2.9551   7.4028  -2.9551   7.4028   0.0000   0.0000   23.292   10.617  ?   ?       ?      ? 
1 1 1    9   24   13 o   38.420   12.645   11.622   7.6257   11.622   7.6257   0.0000   0.0000   38.420   12.645  ?   ?       ?      ? 
1 1 1    9   24   14 o   24.091   10.775  -1.3589   7.2155  -1.3589   7.2155   0.0000   0.0000   24.091   10.775  ?   ?       ?      ? 
1 1 1    9   24   15 o   36.616   12.755   10.311   7.7656   10.311   7.7656   0.0000   0.0000   36.616   12.755  ?   ?       ?      ? 
1 1 1    9   24   16 o   28.143   11.772   2.9680   7.5190   2.9680   7.5190   0.0000   0.0000   28.143   11.772  ?   ?       ?      ? 
1 1 1    9   24   17 o   31.604   12.439   6.1294   7.8185   6.1294   7.8185   0.0000   0.0000   31.604   12.439  ?   ?       ?      ? 
1 1 1    9   24   18 o   35.413   12.727   9.4966   7.7806   9.4966   7.7806   0.0000   0.0000   35.413   12.727  ?   ?       ?      ? 
1 1 1    9   24   19 o   26.483   11.428   1.3304   7.4758   1.3304   7.4758   0.0000   0.0000   26.483   11.428  ?   ?       ?      ? 
1 1 1    9   24   20 o   21.498   10.116  -5.9760   7.5736  -5.9760   7.5736   0.0000   0.0000   21.498   10.116  ?   ?       ?      ? 
1 1 1    9   24   21 o   54.481   15.385   26.632   11.858   26.632   11.858   0.0000   0.0000   54.481   15.385  ?   ?       ?      ? 
1 1 1    9   24   22 o   47.393   15.521   20.353   11.494   20.353   11.494   0.0000   0.0000   47.393   15.521  ?   ?       ?      ? 
1 1 1    9   24   23 o   43.541   15.286   16.873   11.164   16.873   11.164   0.0000   0.0000   43.541   15.286  ?   ?       ?      ? 
1 1 1    9   24   24 o   39.075   14.935   12.609   11.024   12.609   11.024   0.0000   0.0000   39.075   14.935  ?   ?       ?      ? 
1 1 1    9   24   25 o   35.208   14.407   8.4913   10.929   8.4913   10.929   0.0000   0.0000   35.208   14.407  ?   ?       ?      ? 
1 1 1    9   25    0 o   41.381   11.201   13.245   9.0942   5.9914   12.246   22.164   13.580   34.478   14.747   48.285   16.864 -13.80670 22.40213 
1 1 1    9   25    1 o   35.521   15.011   7.3445   12.428   0.0000   0.0000   7.3445   12.428  ?   ?    35.521   15.011      ?      ? 
1 1 1    9   25    2 o   49.095   16.446   22.757   12.884   0.0000   0.0000   22.757   12.884  ?   ?    49.095   16.446      ?      ? 
1 1 1    9   25    3 o   25.080   11.989  -9.9732   11.489   0.0000   0.0000  -9.9732   11.489  ?   ?    25.080   11.989      ?      ? 
1 1 1    9   25    4 o   27.983   13.001  -4.3642   11.872   0.0000   0.0000  -4.3642   11.872  ?   ?    27.983   13.001      ?      ? 
1 1 1    9   25    5 o   28.932   9.3120  -2.5474   8.2407   3.4607   11.431  -9.0487   11.891   31.971   13.960   25.893   12.328 6.078394 18.62391 
1 1 1    9   25    6 o   33.204   9.2557  -1.2146   8.1236   18.704   11.076 -24.3992   11.950   45.342   15.249   21.066   10.495 24.27674 18.51134 
1 1 1    9   25    7 o   30.750   13.583   2.1607   11.112   2.1607   11.112   0.0000   0.0000   30.750   13.583  ?   ?       ?      ? 
1 1 1    9   25    8 o   34.758   14.572   7.4701   11.560   7.4701   11.560   0.0000   0.0000   34.758   14.572  ?   ?       ?      ? 
1 1 1    9   25    9 o   26.613   11.622   1.2532   7.9250   1.2532   7.9250   0.0000   0.0000   26.613   11.622  ?   ?       ?      ? 
1 1 1    9   25   10 o   21.550   10.099  -4.9958   7.4159  -4.9958   7.4159   0.0000   0.0000   21.550   10.099  ?   ?       ?      ? 
1 1 1    9   25   11 o   23.066   10.618  -3.0719   7.6534  -3.0719   7.6534   0.0000   0.0000   23.066   10.618  ?   ?       ?      ? 
1 1 1    9   25   12 o   26.863   11.674   1.7349   7.9141   1.7349   7.9141   0.0000   0.0000   26.863   11.674  ?   ?       ?      ? 
1 1 1    9   25   13 o   26.443   11.650   0.9486   8.1213   0.9486   8.1213   0.0000   0.0000   26.443   11.650  ?   ?       ?      ? 
1 1 1    9   25   14 o   33.496   12.949   8.4965   8.3527   8.4965   8.3527   0.0000   0.0000   33.496   12.949  ?   ?       ?      ? 
1 1 1    9   25   15 o   42.317   13.369   15.911   8.5794   15.911   8.5794   0.0000   0.0000   42.317   13.369  ?   ?       ?      ? 
1 1 1    9   25   16 o   44.512   13.341   17.714   8.6821   17.714   8.6821   0.0000   0.0000   44.512   13.341  ?   ?       ?      ? 
1 1 1    9   25   17 o   47.609   13.122   20.155   8.7385   20.155   8.7385   0.0000   0.0000   47.609   13.122  ?   ?       ?      ? 
1 1 1    9   25   18 o   32.521   12.766   7.9903   8.2149   7.9903   8.2149   0.0000   0.0000   32.521   12.766  ?   ?       ?      ? 
1 1 1    9   25   19 o   22.589   10.548  -4.0574   7.9728  -4.0574   7.9728   0.0000   0.0000   22.589   10.548  ?   ?       ?      ? 
1 1 1   10    0    0 f  798.133   13.040  4323.34  140.954  4323.34  140.954   0.0000   0.0000  798.133   13.040  798.133   13.040 -0.000000 0.000000 
1 1 1   10    0    1 o  575.005   9.9055  2243.38   77.133  2243.38   77.133   0.0000   0.0000  575.005   9.9055  575.005   9.9055 -0.000000 0.000000 
1 1 1   10    0    2 o  602.935   10.280  2470.05   83.876  2496.46  119.303  2444.24  117.947  606.126   14.544  599.743   14.532 -0.000000 0.000000 
1 1 1   10    0    3 o  853.907   13.844  4956.37  159.956  5074.99  229.630  4844.57  222.942  863.832   19.639  843.982   19.516 -0.000000 0.000000 
1 1 1   10    0    4 o  442.841   8.1432  1332.50   48.793  1327.52   68.794  1337.54   69.215  442.009   11.503  443.674   11.530 -0.000000 0.000000 
1 1 1   10    0    5 o  122.888   5.2704  103.469   8.7018  102.626   12.201  104.342   12.414  122.379   7.4196  123.397   7.4871 -0.000000 0.000000 
1 1 1   10    0    6 o   62.774   8.9652   28.300   7.1760   0.0000   0.0000   28.300   7.1760   62.774   8.9652   62.774   8.9652 -0.000000 0.000000 
1 1 1   10    0    8 o  254.841   6.0280  441.587   20.761  431.363   29.048  452.261   29.682  251.816   8.5347  257.866   8.5150 -0.000000 0.000000 
1 1 1   10    0    9 o  211.478   7.9937  304.472   22.834   0.0000   0.0000  304.472   22.834  211.478   7.9937  211.478   7.9937 -0.000000 0.000000 
1 1 1   10    0   10 o  225.903   8.1563  347.307   24.895   0.0000   0.0000  347.307   24.895  225.903   8.1563  225.903   8.1563 -0.000000 0.000000 
1 1 1   10    0   11 o  297.778   9.1190  602.892   36.720   0.0000   0.0000  602.892   36.720  297.778   9.1190  297.778   9.1190 -0.000000 0.000000 
1 1 1   10    0   12 o  453.358   8.2642  1396.88   50.695  1393.94   71.474  1399.86   71.916  452.879   11.664  453.837   11.711 -0.000000 0.000000 
1 1 1   10    0   13 o  587.083   10.046  2342.96   79.819  2329.53  112.365  2356.65  113.405  585.385   14.184  588.781   14.232 -0.000000 0.000000 
1 1 1   10    0   14 o  173.727   5.3913  205.810   12.614  221.885   17.987  190.257   17.693  180.474   7.3828  166.979   7.8588 -0.000000 0.000000 
1 1 1   10    0   15 o  1052.13   16.770  7540.76  238.820  7591.79  339.110  7490.56  336.392  1055.66   23.732  1048.59   23.700 -0.000000 0.000000 
1 1 1   10    0   16 o  134.365   5.2779  123.589   9.5341  128.386   13.426  118.711   13.541  137.052   7.2759  131.677   7.6476 -0.000000 0.000000 
1 1 1   10    0   17 o  298.878   6.4640  606.283   26.093  649.322   37.675  566.605   36.174  309.098   9.0117  288.658   9.2693 -0.000000 0.000000 
1 1 1   10    0   18 o  297.158   6.4500  600.341   25.915  606.844   36.508  593.737   36.792  298.794   9.0352  295.522   9.2073 -0.000000 0.000000 
1 1 1   10    0   19 f  1059.88   23.839  7644.60  342.008  7644.60  342.008   0.0000   0.0000  1059.88   23.839  1059.88   23.839 -0.000000 0.000000 
1 1 1   10    0   20 f  540.618   13.295  1985.52   97.264  1985.52   97.264   0.0000   0.0000  540.618   13.295  540.618   13.295 -0.000000 0.000000 
1 1 1   10    0   21 o  457.032   8.3371  1417.35   51.527  1479.27   74.297  1359.96   71.522  466.660   11.766  447.404   11.815 -0.000000 0.000000 
1 1 1   10    0   22 o  1248.15   19.680 10605.93  332.489 10540.07  468.055 10673.01  472.395  1244.24   27.791  1252.06   27.873 -0.000000 0.000000 
1 1 1   10    0   23 o  1025.05   16.352  7144.56  226.854  7044.86  317.636  7248.37  324.102  1017.75   23.057  1032.34   23.194 -0.000000 0.000000 
1 1 1   10    0   24 o  1121.36   17.792  8538.53  269.758  8196.69  370.976  8922.09  392.965  1097.59   24.971  1145.13   25.351 -0.000000 0.000000 
1 1 1   10    0   25 o  227.517   5.8840  352.358   18.080  358.653   25.397  345.889   25.744  229.602   8.1862  225.432   8.4542 -0.000000 0.000000 
1 1 1   10    0   26 o  261.653   6.1729  465.624   21.830  469.358   30.717  461.812   31.029  262.726   8.6489  260.581   8.8100 -0.000000 0.000000 
1 1 1   10    0   27 o  514.906   9.1181  1800.06   63.514  1853.70   91.087  1749.30   88.608  522.383   12.885  507.430   12.905 -0.000000 0.000000 
1 1 1   10    0   28 o  1219.51   19.272 10116.32  317.953  9827.36  440.712 10429.98  459.161  1201.38   27.101  1237.65   27.407 -0.000000 0.000000 
1 1 1   10    0   29 o  932.244   15.011  5901.48  189.255  6143.75  274.552  5682.13  261.239  950.456   21.341  914.032   21.116 -0.000000 0.000000 
1 1 1   10    0   30 o  727.518   12.058  3590.48  118.612  3762.80  172.540  3436.07  163.325  744.053   17.133  710.984   16.973 -0.000000 0.000000 
1 1 1   10    0   32 o  120.011   8.1501   98.969   13.114   0.0000   0.0000   98.969   13.114  120.011   8.1501  120.011   8.1501 -0.000000 0.000000 
1 1 1   10    0   33 o  203.784   5.8855  282.409   16.175  299.621   23.408  266.680   22.377  209.753   8.2643  197.814   8.3819 -0.000000 0.000000 
1 1 1   10    0   34 o  488.341   8.8192  1618.42   58.235  1553.13   80.594  1689.74   84.241  478.032   12.460  498.650   12.484 -0.000000 0.000000 
1 1 1   10    0   35 o  1543.92   24.266 16296.90  506.883 15863.62  703.674 16764.20  730.776  1522.65   34.141  1565.18   34.492 -0.000000 0.000000 
1 1 1   10    0   36 o  164.546   5.8408  184.987   12.944  182.357   18.466  187.527   18.150  163.366   8.3916  165.725   8.1265 -0.000000 0.000000 
1 1 1   10    0   37 o  177.282   5.8484  213.673   13.941  236.941   20.356  193.116   19.133  186.424   8.0922  168.140   8.4459 -0.000000 0.000000 
1 1 1   10    0   38 o  169.444   8.3168  196.066   18.992  196.066   18.992   0.0000   0.0000  169.444   8.3168  169.444   8.3168 -0.000000 0.000000 
1 1 1   10    0   39 o  361.102   10.343  886.651   50.517  886.651   50.517   0.0000   0.0000  361.102   10.343  361.102   10.343 -0.000000 0.000000 
1 1 1   10    0   41 o  297.510   6.7093  599.174   26.914  660.608   39.624  546.556   36.671  311.650   9.4017  283.370   9.5744 -0.000000 0.000000 
1 1 1   10    0   42 o  433.934   8.1925  1280.28   48.085  1312.24   68.926  1249.97   67.115  439.218   11.599  428.651   11.573 -0.000000 0.000000 
1 1 1   10    0   43 o  276.328   6.4919  519.694   24.246  508.617   34.135  530.972   34.445  273.339   9.2394  279.317   9.1220 -0.000000 0.000000 
1 1 1   10    0   44 o  368.917   7.4359  925.318   37.090  890.820   51.663  962.007   53.279  361.803   10.558  376.030   10.474 -0.000000 0.000000 
1 1 1   10    0   45 o  483.084   8.8258  1585.88   57.637  1662.59   83.668  1516.59   79.513  494.199   12.511  471.969   12.452 -0.000000 0.000000 
1 1 1   10    0   46 f  213.418   6.0873  310.004   17.524  327.079   25.383  294.454   24.223  219.055   8.5807  207.782   8.6367 -0.000000 0.000000 
1 1 1   10    0   47 o  209.184   6.1269  298.007   17.287  312.728   25.009  284.538   23.921  214.152   8.6498  204.217   8.6796 -0.000000 0.000000 
1 1 1   10    0   48 o  581.013   10.139  2301.73   79.719  2297.07  112.824  2306.38  112.656  580.417   14.364  581.608   14.313 -0.000000 0.000000 
1 1 1   10    0   49 o  124.473   8.5844  106.647   14.322   0.0000   0.0000  106.647   14.322  124.473   8.5844  124.473   8.5844 -0.000000 0.000000 
1 1 1   10    0   50 o  264.500   9.1122  476.687   32.573   0.0000   0.0000  476.687   32.573  264.500   9.1122  264.500   9.1122 -0.000000 0.000000 
1 1 1   10    0   51 o   87.090   7.2696   53.532   8.2348   54.833   12.226   52.452   11.141   87.950   10.677   86.231   9.8683 -0.000000 0.000000 
1 1 1   10    0   52 o   33.337   11.068   9.9879   6.0783   16.567   9.2303   4.9509   8.0767   41.918   16.759   24.756   14.462 -0.000000 0.000000 
1 1 1   10    0   53 o  118.575   6.5706   98.341   10.234   80.533   14.582  115.627   14.366  107.426   10.230  129.724   8.2488 -0.000000 0.000000 
1 1 1   10    0   54 o  635.996   10.949  2765.75   94.228  2729.85  132.329  2802.67  134.208  631.805   15.477  640.186   15.490 -0.000000 0.000000 
1 1 1   10    0   55 o   57.061   16.309   26.972   10.931   26.972   10.931   0.0000   0.0000   57.061   16.309   57.061   16.309 -0.000000 0.000000 
1 1 1   10    0   56 o   83.771   8.0239   50.307   8.6327   50.996   12.118   49.598   12.301   84.474   11.121   83.068   11.570 -0.000000 0.000000 
1 1 1   10    0   57 o   88.571   7.9507   57.033   8.6929   43.847   12.445   69.599   12.148   77.174   13.010   99.969   9.1431 -0.000000 0.000000 
1 1 1   10    0   58 o  123.700   6.7152  105.231   11.026  122.810   16.237   90.189   15.020  133.507   9.0709  113.892   9.9044 -0.000000 0.000000 
1 1 1   10    0   59 o  154.919   6.4786  164.535   13.470  177.857   19.490  152.356   18.636  161.009   8.9971  148.828   9.3242 -0.000000 0.000000 
1 1 1   10    0   60 o   30.437   11.525   8.3423   7.1182   2.1273   10.730   13.227   9.5128   24.560   15.429   36.313   17.126 -0.000000 0.000000 
1 1 1   10    0   61 o  200.483   6.4012  274.995   17.304  274.314   24.775  275.644   24.180  200.213   9.1753  200.753   8.9283 -0.000000 0.000000 
1 1 1   10    0   62 o  185.790   6.5042  237.126   16.183  206.497   22.732  268.598   23.043  173.380   9.7457  198.201   8.6162 -0.000000 0.000000 
1 1 1   10    0   63 o  119.798   7.0456   98.729   11.188  113.770   16.748   86.607   15.035  128.178   9.7725  111.417   10.152 -0.000000 0.000000 
1 1 1   10    0   64 o   75.041   10.047   42.279   9.0610   48.908   13.186   36.350   12.472   81.798   12.841   68.285   15.455 -0.000000 0.000000 
1 1 1   10    0   65 o  381.932   11.088  998.029   57.278   0.0000   0.0000  998.029   57.278  381.932   11.088  381.932   11.088 -0.000000 0.000000 
1 1 1   10    0   66 o   83.701   12.413   50.918   13.169   0.0000   0.0000   50.918   13.169   83.701   12.413   83.701   12.413 -0.000000 0.000000 
1 1 1   10    0   67 o  244.069   6.6879  407.784   22.037  418.679   31.658  397.543   30.695  247.237   9.4807  240.901   9.4356 -0.000000 0.000000 
1 1 1   10    0   68 o   32.784   12.333   10.290   7.6159   14.222   11.025   6.7011   10.533   37.295   18.321   28.273   16.516 -0.000000 0.000000 
1 1 1   10    0   70 o   81.461   13.041   48.941   13.290   48.941   13.290   0.0000   0.0000   81.461   13.041   81.461   13.041 -0.000000 0.000000 
1 1 1   10    0   71 o  249.734   9.6206  428.851   32.449  428.851   32.449   0.0000   0.0000  249.734   9.6206  249.734   9.6206 -0.000000 0.000000 
1 1 1   10    0   72 o  157.689   6.7439  172.267   14.278  171.407   20.580  173.066   19.826  157.230   9.7448  158.148   9.3253 -0.000000 0.000000 
1 1 1   10    0   73 o  118.810   7.3031  100.012   11.387   83.425   16.158  116.373   16.048  108.316   11.289  129.303   9.2681 -0.000000 0.000000 
1 1 1   10    0   74 o   99.514   7.8535   70.486   10.225   76.511   15.058   65.331   13.928  103.606   11.041   95.422   11.172 -0.000000 0.000000 
1 1 1   10    0   75 o  193.463   9.3268  259.253   24.322   0.0000   0.0000  259.253   24.322  193.463   9.3268  193.463   9.3268 -0.000000 0.000000 
1 1 1   10    0   76 o  198.808   9.9866  275.074   26.750  275.074   26.750   0.0000   0.0000  198.808   9.9866  198.808   9.9866 -0.000000 0.000000 
1 1 1   10    0   77 o   21.653   9.9314  -1.6720   7.2767  -8.3963   10.466   4.6195   10.124   17.813   12.368   25.493   15.542 -0.000000 0.000000 
1 1 1   10    0   78 f   71.108   10.939   40.301   9.0770   52.509   13.424   30.019   12.320   83.934   12.652   58.281   17.848 -0.000000 0.000000 
1 1 1   10    0   79 o   73.750   11.078   42.277   9.5474   56.821   14.846   32.021   12.467   86.743   13.637   60.757   17.462 -0.000000 0.000000 
1 1 1   10    0   80 f  191.938   9.3807  257.808   24.266   0.0000   0.0000  257.808   24.266  191.938   9.3807  191.938   9.3807 -0.000000 0.000000 
1 1 1   10    0   81 o   60.425   11.991   31.719   8.5396   35.687   12.175   27.875   11.981   65.858   15.722   54.992   18.110 -0.000000 0.000000 
1 1 1   10    0   82 o  100.590   8.2916   74.451   10.630   60.265   14.778   89.661   15.302   89.445   12.991  111.735   10.307 -0.000000 0.000000 
1 1 1   10    0   83 o   55.265   12.961   28.248   8.7049   33.868   13.030   23.717   11.698   61.797   17.929   48.733   18.723 -0.000000 0.000000 
1 1 1   10    0   84 o   26.017   16.250   4.5143   11.726   4.5143   11.726   0.0000   0.0000   26.017   16.250   26.017   16.250 -0.000000 0.000000 
1 1 1   10    0   85 o   39.846   12.138   14.321   8.1983   29.096   12.583   3.4239   10.807   55.245   18.759   24.447   15.410 -0.000000 0.000000 
1 1 1   10    0   86 o   23.079   10.348  -2.3182   7.7315   9.7823   11.207 -13.3083   10.680   30.178   17.292   15.980   11.370 -0.000000 0.000000 
1 1 1   10    0   87 o   23.997   10.906   2.3633   8.0963   2.4652   11.115   2.2480   11.818   23.798   15.252   24.196   15.592 -0.000000 0.000000 
1 1 1   10    0   88 o   24.757   10.884   1.0143   8.0076   11.359   11.629  -8.3144   11.043   31.521   17.792   17.992   12.541 -0.000000 0.000000 
1 1 1   10    0   89 o   18.305   8.9944  -8.8055   7.9830 -15.8357   11.507  -2.2815   11.085   15.946   11.423   20.664   13.897 -0.000000 0.000000 
1 1 1   10    0   90 o   63.009   13.541   38.664   10.318   31.563   14.672   45.614   14.514   53.596   21.064   72.423   17.022 -0.000000 0.000000 
1 1 1   10    0   91 o   32.646   12.923   12.454   8.9501   6.7648   12.314   18.825   13.031   26.877   16.728   38.416   19.703 -0.000000 0.000000 
1 1 1   10    0   92 o   18.390   12.796  -6.9418   11.357   0.0000   0.0000  -6.9418   11.357   18.390   12.796   18.390   12.796 -0.000000 0.000000 
1 1 1   10    0   93 o   50.950   20.586   30.394   13.884   0.0000   0.0000   30.394   13.884   50.950   20.586   50.950   20.586 -0.000000 0.000000 
1 1 1   10    1    0 o  1328.41   18.125 12117.58  309.266 12290.41  382.436 11790.96  525.734  1343.69   21.003  1313.13   29.545 30.56006 36.24907 
1 1 1   10    1    1 o  422.904   7.9186  1213.46   45.381  1209.25   64.018  1217.72   64.340  422.167   11.190  423.642   11.207 -1.475433 15.83727 
1 1 1   10    1    2 o  322.801   6.7461  706.503   29.504  726.210   42.150  687.572   41.312  327.214   9.5058  318.388   9.5749 8.826050 13.49219 
1 1 1   10    1    3 o  810.420   10.776  4449.28  102.176  4488.88  205.631  4436.30  117.739  812.241   18.682  808.599   10.745 3.641907 21.55148 
1 1 1   10    1    4 o  995.289   11.241  6732.85  151.603  6781.09  215.304  6685.41  213.506  998.822   15.907  991.755   15.886 7.067749 22.48107 
1 1 1   10    1    5 o  226.190   4.0514  346.806   12.418  348.301   17.581  345.317   17.543  226.677   5.7235  225.704   5.7356 0.9731750 8.102843 
1 1 1   10    1    6 o  383.388   5.2230  996.652   27.135  990.419   38.259  1002.96   38.492  382.182   7.3872  384.594   7.3857 -2.412384 10.44600 
1 1 1   10    1    7 o  443.022   5.7380  1331.11   34.449  1334.47   48.774  1327.77   48.661  443.581   8.1140  442.464   8.1156 1.116486 11.47608 
1 1 1   10    1    8 o  243.774   4.1586  402.175   13.722  430.393   19.826  376.233   19.010  251.968   5.8065  235.579   5.9547 16.38950 8.317109 
1 1 1   10    1    9 o  261.311   4.2664  462.888   15.107  455.877   21.265  470.033   21.465  259.313   6.0514  263.309   6.0157 -3.996185 8.532804 
1 1 1   10    1   10 o  137.380   3.6495  127.934   6.7941  127.149   9.6014  128.722   9.6152  136.958   5.1733  137.803   5.1489 -0.8449402 7.298928 
1 1 1   10    1   11 o   94.188   4.5415   61.199   5.4919   56.765   9.2290   63.630   6.8335   91.490   7.4439   96.886   5.2047 -5.396423 9.082941 
1 1 1   10    1   12 o  234.702   4.9867  376.885   15.052  384.486   18.660  362.728   25.467  238.150   5.7819  231.255   8.1264 6.895508 9.973424 
1 1 1   10    1   13 o  571.286   6.9368  2212.98   53.683  2278.89   77.176  2151.20   74.721  579.519   9.8273  563.052   9.7928 16.46667 13.87353 
1 1 1   10    1   14 o  570.400   9.7894  2207.57   75.669  2207.57   75.669   0.0000   0.0000  570.400   9.7894  ?   ?       ?      ? 
1 1 1   10    1   15 o  523.927   9.1653  1862.03   65.073  1862.03   65.073   0.0000   0.0000  523.927   9.1653  ?   ?       ?      ? 
1 1 1   10    1   16 o  380.906   7.3502  983.747   37.940  983.747   37.940   0.0000   0.0000  380.906   7.3502  ?   ?       ?      ? 
1 1 1   10    1   17 o  843.279   9.6695  4825.65  110.462  4954.25  158.715  4704.83  153.834  854.164   13.712  832.395   13.638 21.76880 19.33903 
1 1 1   10    1   18 o  203.060   3.9314  279.465   10.818  277.576   15.244  281.382   15.355  202.369   5.5586  203.751   5.5610 -1.382690 7.862761 
1 1 1   10    1   19 o  650.224   7.7082  2867.85   67.918  2847.62   95.583  2888.49   96.526  647.908   10.886  652.540   10.916 -4.631836 15.41647 
1 1 1   10    1   20 o  1119.83   12.528  8521.28  190.109  8508.46  268.531  8534.17  269.181  1118.99   17.709  1120.68   17.725 -1.686646 25.05519 
1 1 1   10    1   21 o  481.000   6.0949  1568.64   39.728  1574.43   56.241  1562.88   56.126  481.885   8.6124  480.114   8.6265 1.771210 12.18976 
1 1 1   10    1   22 o  756.248   10.722  3823.38  102.470  4046.06  183.702  3722.79  123.462  771.735   17.566  740.760   12.299 30.97559 21.44334 
1 1 1   10    1   23 o  929.524   12.917  5862.92  153.246  5894.06  266.233  5847.49  187.405  930.931   21.104  928.117   14.900 2.814148 25.83392 
1 1 1   10    1   24 o  259.036   5.2528  452.108   17.402  463.127   30.255  446.660   21.273  261.361   8.5424  256.711   6.1151 4.650177 10.50558 
1 1 1   10    1   25 o  374.540   5.1845  950.926   26.314  951.646   37.183  950.204   37.243  374.682   7.3232  374.398   7.3406 0.2843323 10.36892 
1 1 1   10    1   26 o  562.273   6.8701  2143.82   52.346  2157.60   74.246  2130.20   73.813  564.069   9.7131  560.476   9.7184 3.593140 13.74016 
1 1 1   10    1   27 o  1237.44   13.779 10408.44  231.029 10275.92  323.820 10545.82  329.707  1229.43   19.436  1245.45   19.535 -16.01953 27.55726 
1 1 1   10    1   28 o  270.574   6.2816  496.234   23.033   0.0000   0.0000  496.234   23.033  ?   ?   270.574   6.2816      ?      ? 
1 1 1   10    1   29 o  1394.79   18.965 13055.74  333.186 13870.67  601.255 12694.58  400.263  1423.95   31.159  1365.62   21.629 58.33301 37.92991 
1 1 1   10    1   30 o  729.858   17.045  3620.43  168.586  3620.43  168.586   0.0000   0.0000  729.858   17.045  ?   ?       ?      ? 
1 1 1   10    1   31 o  592.631   7.1817  2381.97   57.669  2348.24   80.827  2416.95   82.306  588.359   10.138  596.904   10.175 -8.544067 14.36332 
1 1 1   10    1   32 o  721.146   8.4688  3529.80   82.761  3526.97  116.862  3532.65  117.223  720.857   11.963  721.434   11.990 -0.5769653 16.93763 
1 1 1   10    1   34 o  350.246   6.1840  827.721   27.529  819.680   33.468  844.541   48.406  347.692   7.1031  352.799   10.125 -5.107086 12.36792 
1 1 1   10    1   35 f  630.568   9.2867  2669.79   74.115  2615.71   89.541  2787.47  132.079  620.814   10.643  640.323   15.221 -19.50861 18.57334 
1 1 1   10    1   36 o  585.983   8.7782  2350.45   66.072  2390.80   81.744  2274.41  112.215  593.528   10.163  578.438   14.316 15.09052 17.55648 
1 1 1   10    1   37 o  307.400   6.6966  640.763   27.896  640.763   27.896   0.0000   0.0000  307.400   6.6966  ?   ?       ?      ? 
1 1 1   10    1   38 o  197.636   5.9217  264.835   15.860   0.0000   0.0000  264.835   15.860  ?   ?   197.636   5.9217      ?      ? 
1 1 1   10    1   39 o  447.743   8.3017  1360.30   50.371  1360.30   50.371   0.0000   0.0000  447.743   8.3017  ?   ?       ?      ? 
1 1 1   10    1   40 o  451.929   7.2684  1383.57   41.935  1398.12   72.915  1376.39   51.261  453.517   11.864  450.341   8.3997 3.176758 14.53673 
1 1 1   10    1   41 o  353.750   6.2491  837.084   28.076  885.155   49.848  814.750   33.978  360.963   10.191  346.536   7.2355 14.42743 12.49811 
1 1 1   10    1   42 o  567.161   6.9929  2185.29   53.744  2167.19   75.574  2203.82   76.445  564.787   9.8742  569.536   9.9047 -4.748840 13.98587 
1 1 1   10    1   43 o  580.790   7.1232  2292.55   56.063  2283.29   79.036  2301.93   79.535  579.612   10.063  581.968   10.085 -2.356445 14.24649 
1 1 1   10    1   44 o  315.487   6.8466  675.440   29.271  675.440   29.271   0.0000   0.0000  315.487   6.8466  ?   ?       ?      ? 
1 1 1   10    1   45 o  202.569   5.9610  278.388   16.363  278.388   16.363   0.0000   0.0000  202.569   5.9610  ?   ?       ?      ? 
1 1 1   10    1   46 o  233.766   4.3695  370.324   13.831  351.546   19.197  390.593   19.945  227.610   6.2239  239.923   6.1345 -12.31313 8.738952 
1 1 1   10    1   47 o  197.860   5.2870  274.272   13.399  238.217   22.172  295.016   16.818  187.209   8.7397  208.511   5.9520 -21.30225 10.57398 
1 1 1   10    1   48 o  208.191   5.1805  292.695   13.876  299.707   23.827  289.096   17.069  209.992   8.3729  206.390   6.1028 3.601913 10.36098 
1 1 1   10    1   49 f  517.918   6.5662  1824.05   46.074  1783.87   64.342  1866.34   66.008  512.069   9.2722  523.767   9.2998 -11.69763 13.13241 
1 1 1   10    1   50 o  158.888   4.2333  171.375   9.1140  172.531   12.830  170.197   12.950  159.431   5.9382  158.345   6.0350 1.086533 8.466557 
1 1 1   10    1   51 o  163.070   5.1617  182.538   10.758  186.430   13.257  175.032   18.410  165.721   5.9033  160.419   8.4689 5.302780 10.32336 
1 1 1   10    1   52 o  342.191   6.2292  789.575   27.142  775.907   33.002  818.148   47.714  337.903   7.2071  346.478   10.162 -8.575470 12.45837 
1 1 1   10    1   53 o  367.476   6.5441  923.776   30.738  932.241   37.762  907.153   52.917  370.300   7.5252  364.652   10.709 5.647095 13.08825 
1 1 1   10    1   54 o  228.101   5.5383  357.944   16.076  366.049   19.734  341.950   27.719  232.142   6.2731  224.060   9.1292 8.082199 11.07670 
1 1 1   10    1   55 o  216.492   4.4139  318.348   12.948  314.265   18.188  322.544   18.439  215.084   6.2400  217.899   6.2444 -2.814285 8.827814 
1 1 1   10    1   56 o  294.545   6.8119  589.749   27.189   0.0000   0.0000  589.749   27.189  ?   ?   294.545   6.8119      ?      ? 
1 1 1   10    1   57 o  115.594   5.6964   89.224   8.3766   96.006   14.879   86.077   10.135  118.661   9.2529  112.528   6.6466 6.132843 11.39272 
1 1 1   10    1   58 o  130.882   4.5506  116.450   8.0700  114.464   11.421  118.430   11.405  129.763   6.4946  132.000   6.3757 -2.236908 9.101105 
1 1 1   10    1   59 o  240.396   4.6127  392.864   15.026  399.347   21.383  386.541   21.119  242.356   6.5108  238.436   6.5360 3.920547 9.225464 
1 1 1   10    1   60 o  293.900   4.8795  587.537   19.431  574.491   27.315  600.902   27.647  290.591   6.9365  297.208   6.8645 -6.617096 9.758903 
1 1 1   10    1   62 o  118.921   4.8122   96.234   7.7458   90.061   10.859  102.627   11.052  115.027   6.9667  122.816   6.6403 -7.788414 9.624369 
1 1 1   10    1   63 o  148.023   9.1003  149.703   18.254  149.703   18.254   0.0000   0.0000  148.023   9.1003  ?   ?       ?      ? 
1 1 1   10    1   64 o  315.235   6.1820  679.836   24.975  676.138   42.892  681.732   30.719  314.157   10.075  316.312   7.1666 -2.155060 12.36395 
1 1 1   10    1   65 o   58.237   7.7361   24.545   5.8826   11.714   8.1444   38.540   8.5059   41.367   13.021   75.107   8.3571 -33.73966 15.47216 
1 1 1   10    1   66 o  201.369   4.5802  276.272   12.496  283.709   17.727  268.927   17.617  204.074   6.4102  198.664   6.5437 5.410172 9.160329 
1 1 1   10    1   67 o  209.473   5.6446  305.773   15.159  318.975   18.865  281.710   25.469  216.315   6.4355  202.630   9.2751 13.68579 11.28910 
1 1 1   10    1   68 o  127.590   5.9084  106.974   9.5856   99.082   11.511  124.823   17.312  120.437   7.0531  134.742   9.4811 -14.30451 11.81685 
1 1 1   10    1   69 o   62.580   8.5278   24.360   6.7728   17.171   8.1368   40.575   12.220   48.742   12.314   76.419   11.800 -27.67670 17.05551 
1 1 1   10    1   70 o  111.790   5.1099   85.598   7.7371   82.341   10.924   88.877   10.960  109.634   7.3528  113.945   7.0980 -4.310265 10.21979 
1 1 1   10    1   71 o  101.155   5.3094   70.237   7.2757   72.328   10.296   68.151   10.283  102.678   7.3997   99.632   7.6159 3.045692 10.61876 
1 1 1   10    1   72 o  166.343   6.5643  191.524   14.792  195.311   21.259  187.970   20.595  167.913   9.3427  164.773   9.2234 3.140472 13.12851 
1 1 1   10    1   73 f  117.061   6.2685   97.043   9.2687   88.807   15.971  101.225   11.381  112.727   10.455  121.395   6.9184 -8.667267 12.53694 
1 1 1   10    1   75 o  190.012   4.6652  248.200   12.000  264.366   17.254  233.052   16.702  196.045   6.4945  183.980   6.6990 12.06458 9.330325 
1 1 1   10    1   76 o  101.491   7.5985   71.409   10.450   71.409   10.450   0.0000   0.0000  101.491   7.5985  ?   ?       ?      ? 
1 1 1   10    1   77 o   78.534   6.0381   43.151   6.4257   42.945   9.1153   43.355   9.0595   78.333   8.5870   78.734   8.4910 -0.4009705 12.07614 
1 1 1   10    1   78 o   48.295   9.3661   18.168   6.2724   14.910   10.445   20.006   7.8445   44.817   14.801   51.774   11.482 -6.957195 18.73214 
1 1 1   10    1   79 o  109.929   7.3630   87.089   10.880   99.122   15.385   75.053   15.388  118.008   9.6208  101.850   11.149 16.15816 14.72606 
1 1 1   10    1   80 f   33.673   8.7541   7.2536   5.2505   8.0855   7.0058   6.1875   7.9306   34.426   12.108   32.919   12.647 1.506954 17.50822 
1 1 1   10    1   81 o   44.765   8.8960   16.558   6.3888   23.348   7.9045   3.7650   10.850   55.868   10.832   33.662   14.115 22.20622 17.79202 
1 1 1   10    1   82 f   65.576   8.7880   31.681   7.1115   30.022   8.5445   35.423   12.829   64.498   9.7759   66.655   14.606 -2.156548 17.57591 
1 1 1   10    1   83 o   58.680   9.7103   27.518   7.2414   28.049   8.7959   26.403   12.756   60.990   11.049   56.371   15.971 4.619419 19.42064 
1 1 1   10    1   84 o  105.864   5.4396   79.369   7.8028   78.744   11.085   79.983   10.986  105.411   7.7598  106.317   7.6250 -0.9066467 10.87912 
1 1 1   10    1   85 o   39.191   9.4275   11.581   6.7764   0.0983   11.601   17.527   8.3486   31.378   13.869   47.003   12.773 -15.62517 18.85505 
1 1 1   10    1   86 o   50.229   9.0032   20.264   6.2085   16.431   8.8651   23.954   8.6975   45.125   13.470   55.333   11.949 -10.20823 18.00631 
1 1 1   10    1   87 o   62.845   7.7636   30.054   6.4780   29.962   9.0507   30.150   9.2761   63.306   10.550   62.384   11.392 0.9217262 15.52719 
1 1 1   10    1   88 o   62.031   8.1679   30.008   6.6664   24.202   9.2961   36.156   9.5651   54.547   12.797   69.514   10.154 -14.96689 16.33589 
1 1 1   10    1   89 o   38.791   9.5149   12.157   6.1091   12.582   8.6421   11.732   8.6369   39.309   13.468   38.272   13.444 1.037334 19.02988 
1 1 1   10    1   90 o   58.978   9.7840   32.565   7.9417   20.180   13.503   39.115   9.8194   46.324   16.750   71.632   10.116 -25.30799 19.56792 
1 1 1   10    1   91 o   82.376   8.3396   52.481   8.8426   62.069   15.471   47.830   10.776   85.995   13.276   78.756   10.097 7.239365 16.67917 
1 1 1   10    1   92 o   56.038   10.832   30.078   8.2825   29.632   14.255   30.305   10.176   53.047   17.281   59.029   13.067 -5.981743 21.66467 
1 1 1   10    1   93 o   69.105   11.760   48.372   10.883   46.519   15.272   50.284   15.512   67.423   16.781   70.788   16.479 -3.365250 23.51913 
1 1 1   10    2    0 o  465.103   5.9672  1466.90   37.609  1481.06   53.428  1452.99   52.949  467.329   8.4365  462.878   8.4413 4.450806 11.93445 
1 1 1   10    2    1 o  417.917   5.5315  1184.01   31.323  1163.33   43.894  1205.47   44.712  414.200   7.8200  421.635   7.8254 -7.434509 11.06299 
1 1 1   10    2    2 o  364.733   5.8877  895.374   24.963  915.436   50.908  889.024   28.643  367.320   10.227  362.147   5.8365 5.172943 11.77546 
1 1 1   10    2    3 o  612.736   8.5330  2565.68   61.523  2514.89  121.894  2583.04   71.267  608.341   14.786  617.131   8.5217 -8.790466 17.06598 
1 1 1   10    2    4 o  129.661   4.3055  111.905   6.3689  117.812   13.442  110.195   7.2322  131.810   7.5254  127.512   4.1854 4.297340 8.610988 
1 1 1   10    2    5 o  157.631   4.6503  166.586   9.2558  173.607   16.564  163.398   11.161  160.002   7.6394  155.260   5.3046 4.742020 9.300507 
1 1 1   10    2    6 o  401.974   6.5461  1099.84   33.792  1107.62   41.684  1084.91   57.715  404.140   7.6112  399.809   10.652 4.330811 13.09219 
1 1 1   10    2    7 o  249.179   5.0165  416.021   16.079  405.568   19.715  436.784   27.785  244.589   5.9481  253.769   8.0796 -9.180115 10.03296 
1 1 1   10    2    8 o  178.031   4.6358  221.239   10.622  237.857   13.397  193.102   17.431  187.321   5.2774  168.741   7.6230 18.58049 9.271576 
1 1 1   10    2    9 o  662.429   9.5805  3001.31   81.578  3044.61  100.937  2919.76  138.528  669.675   11.122  655.182   15.602 14.49371 19.16109 
1 1 1   10    2   10 o  308.743   6.5167  646.308   27.265  646.308   27.265   0.0000   0.0000  308.743   6.5167  ?   ?       ?      ? 
1 1 1   10    2   11 o  624.996   7.4580  2651.18   63.164  2669.07   89.678  2633.56   88.982  627.088   10.553  622.904   10.541 4.183899 14.91596 
1 1 1   10    2   12 o  654.614   7.7498  2908.34   68.742  2873.79   96.509  2943.93   97.939  650.669   10.945  658.558   10.974 -7.889526 15.49954 
1 1 1   10    2   13 o  255.255   4.2345  441.678   14.647  438.964   20.632  444.435   20.797  254.464   5.9832  256.045   5.9938 -1.580795 8.468984 
1 1 1   10    2   14 o  1103.96   12.388  8290.40  185.312  8195.31  259.934  8388.67  264.262  1097.54   17.477  1110.39   17.562 -12.84985 24.77634 
1 1 1   10    2   15 o  663.979   9.5795  2962.46   80.755  3083.89  142.956  2905.55   97.866  673.610   15.661  654.347   11.037 19.26385 19.15897 
1 1 1   10    2   16 o  599.248   10.158  2438.17   82.480  2482.82  117.943  2395.43  115.387  604.612   14.395  593.883   14.338 10.72943 20.31699 
1 1 1   10    2   17 o  747.330   10.650  3843.66  102.787  3968.07  128.477  3622.42  171.328  764.643   12.399  730.016   17.319 34.62738 21.29945 
1 1 1   10    2   18 o  287.245   5.5358  549.019   20.026  532.182   24.031  587.290   36.229  280.200   6.3287  294.289   9.0846 -14.08875 11.07165 
1 1 1   10    2   19 o  688.485   9.9269  3186.28   86.564  3131.19  104.717  3305.17  153.829  679.393   11.374  697.578   16.273 -18.18573 19.85375 
1 1 1   10    2   20 o  259.221   6.0783  455.444   21.352  455.444   21.352   0.0000   0.0000  259.221   6.0783  ?   ?       ?      ? 
1 1 1   10    2   21 o  571.062   6.9496  2211.45   53.780  2217.81   76.140  2205.11   75.974  571.882   9.8248  570.242   9.8315 1.640137 13.89911 
1 1 1   10    2   22 o  404.178   5.4236  1107.17   29.702  1130.80   42.347  1084.29   41.672  408.421   7.6513  399.934   7.6890 8.487396 10.84726 
1 1 1   10    2   23 o  237.146   4.1697  381.042   13.398  374.995   18.728  387.381   19.174  235.220   5.8752  239.072   5.9184 -3.852661 8.339431 
1 1 1   10    2   24 o  274.068   5.3474  492.432   18.591  556.342   33.556  464.128   22.331  286.456   8.6443  261.680   6.2973 24.77628 10.69487 
1 1 1   10    2   25 o  301.043   6.5518  614.286   26.728   0.0000   0.0000  614.286   26.728  ?   ?   301.043   6.5518      ?      ? 
1 1 1   10    2   26 o  492.673   7.6565  1671.29   48.687  1561.86   81.078  1733.01   60.887  479.786   12.470  505.560   8.8872 -25.77359 15.31301 
1 1 1   10    2   27 o  711.987   8.3558  3434.01   80.557  3577.35  116.736  3303.70  111.308  726.146   11.863  697.828   11.770 28.31885 16.71160 
1 1 1   10    2   28 o  814.102   9.3777  4491.10  103.366  4324.98  142.592  4675.07  150.058  798.271   13.181  829.934   13.342 -31.66290 18.75550 
1 1 1   10    2   29 o  574.557   7.0092  2237.40   54.554  2308.31   78.386  2170.80   75.972  583.379   9.9153  565.735   9.9096 17.64343 14.01833 
1 1 1   10    2   30 o  917.883   10.453  5716.16  129.950  5541.69  180.066  5905.79  187.728  903.294   14.710  932.473   14.856 -29.17950 20.90697 
1 1 1   10    2   31 o  1348.57   14.987 12387.67  273.878 12381.64  387.075 12393.71  387.570  1348.25   21.186  1348.90   21.203 -0.6513672 29.97302 
1 1 1   10    2   32 o  299.991   4.6823  609.621   19.027  593.287   26.436  627.175   27.405  295.826   6.5945  304.156   6.6490 -8.329956 9.364636 
1 1 1   10    2   33 o  781.818   11.092  4099.69  109.663  4004.12  132.304  4309.49  196.024  767.899   12.714  795.737   18.178 -27.83887 22.18344 
1 1 1   10    2   34 o  590.226   8.7757  2356.93   66.000  2340.38   80.490  2390.88  115.304  587.292   10.114  593.161   14.345 -5.869019 17.55148 
1 1 1   10    2   35 o  555.501   6.8470  2092.99   51.532  2142.99   73.732  2045.24   72.052  561.984   9.6817  549.017   9.6845 12.96710 13.69394 
1 1 1   10    2   36 o  302.359   5.8117  623.784   22.371  630.958   27.385  609.394   38.785  305.047   6.6247  299.672   9.5507 5.375061 11.62339 
1 1 1   10    2   37 o  478.117   7.5733  1565.31   46.346  1593.37   57.140  1511.36   79.239  484.601   8.7010  471.633   12.398 12.96765 15.14656 
1 1 1   10    2   38 o  481.513   6.1794  1572.53   40.311  1619.70   57.746  1527.69   56.298  488.555   8.7221  474.472   8.7559 14.08325 12.35888 
1 1 1   10    2   39 o  324.673   6.9617  714.999   30.630   0.0000   0.0000  714.999   30.630  ?   ?   324.673   6.9617      ?      ? 
1 1 1   10    2   40 o  908.515   10.400  5620.91  128.027  5556.94  179.647  5686.94  182.502  903.273   14.676  913.757   14.739 -10.48492 20.79952 
1 1 1   10    2   41 o  237.665   4.3749  382.662   14.081  365.808   19.556  400.810   20.293  232.235   6.2140  243.094   6.1600 -10.85889 8.749814 
1 1 1   10    2   42 o  517.221   7.9992  1807.34   52.650  1854.17   92.453  1784.87   64.050  521.826   13.074  512.617   9.2203 9.209717 15.99832 
1 1 1   10    2   43 o  550.597   8.4096  2072.27   59.310  2035.40  101.681  2091.28   73.019  546.461   13.731  554.733   9.7133 -8.271790 16.81915 
1 1 1   10    2   44 o  624.189   7.5497  2648.91   63.844  2713.55   91.496  2587.58   89.128  631.603   10.690  616.774   10.664 14.82855 15.09931 
1 1 1   10    2   45 o   88.239   5.6214   52.760   6.4623   53.312   10.760   52.448   8.0823   88.571   8.9648   87.906   6.7847 0.6648865 11.24279 
1 1 1   10    2   46 o  169.165   4.1986  194.172   9.6247  195.258   13.602  193.084   13.621  169.639   5.9168  168.691   5.9585 0.9485626 8.397144 
1 1 1   10    2   47 o  183.035   4.2257  227.360   10.474  238.746   14.893  216.217   14.733  187.575   5.8590  178.496   6.0907 9.079651 8.451338 
1 1 1   10    2   48 f  165.167   4.2215  185.193   9.4413  194.479   13.396  176.027   13.309  169.288   5.8393  161.045   6.0982 8.242386 8.443059 
1 1 1   10    2   49 f  277.339   4.6631  522.145   17.521  538.412   24.963  506.350   24.598  281.600   6.5416  273.078   6.6472 8.522400 9.326145 
1 1 1   10    2   50 f  315.873   4.9298  677.607   21.100  668.089   29.592  687.452   30.095  313.618   6.9628  318.128   6.9808 -4.510132 9.859653 
1 1 1   10    2   51 o  434.970   7.2172  1307.13   40.344  1348.61   50.154  1231.06   67.910  445.299   8.3114  424.641   11.801 20.65775 14.43432 
1 1 1   10    2   52 o  221.321   4.4225  332.655   13.263  335.039   18.723  330.253   18.791  222.120   6.2203  220.522   6.2881 1.597473 8.844954 
1 1 1   10    2   53 o  228.503   5.5224  361.718   16.114  376.092   19.943  334.688   27.349  235.316   6.2540  221.691   9.1035 13.62593 11.04479 
1 1 1   10    2   54 o  317.475   4.9665  685.148   21.365  693.433   30.168  676.810   30.263  319.409   6.9697  315.542   7.0773 3.866821 9.933033 
1 1 1   10    2   55 o  212.383   4.4104  306.463   12.692  311.587   17.940  301.328   17.958  214.166   6.1816  210.601   6.2924 3.565247 8.820777 
1 1 1   10    2   56 o  256.095   6.5307  445.736   22.664   0.0000   0.0000  445.736   22.664  ?   ?   256.095   6.5307      ?      ? 
1 1 1   10    2   57 o  233.341   4.5240  370.051   14.305  369.333   20.170  370.776   20.292  233.115   6.3849  233.567   6.4109 -0.4520569 9.048007 
1 1 1   10    2   58 f  210.483   5.5443  302.108   14.866  300.235   25.845  303.034   18.173  209.821   9.0896  211.146   6.3512 -1.324585 11.08862 
1 1 1   10    2   59 o  368.806   6.6038  908.460   30.785  982.895   55.414  875.232   37.024  379.061   10.788  358.551   7.6200 20.51016 13.20757 
1 1 1   10    2   60 o  123.729   6.7414  104.134   11.303  104.134   11.303   0.0000   0.0000  123.729   6.7414  ?   ?       ?      ? 
1 1 1   10    2   61 o  478.344   7.7227  1562.06   47.134  1582.18   82.019  1552.14   57.595  479.783   12.615  476.906   8.9119 2.876129 15.44535 
1 1 1   10    2   62 o  141.293   5.7715  141.401   10.353  119.802   17.292  153.469   12.925  132.379   9.6395  150.207   6.3499 -17.82823 11.54298 
1 1 1   10    2   63 o   92.251   5.4046   58.027   6.7531   55.903   9.5431   60.157   9.5577   90.550   7.7771   93.951   7.5070 -3.401352 10.80919 
1 1 1   10    2   64 o  207.845   4.5624  294.087   12.849  298.907   18.182  289.278   18.161  209.554   6.4027  206.136   6.5013 3.417587 9.124810 
1 1 1   10    2   65 o  388.655   5.6181  1031.11   29.585  1056.19   42.235  1006.95   41.454  393.302   7.9244  384.008   7.9660 9.294128 11.23623 
1 1 1   10    2   66 o  225.952   4.6709  348.004   14.301  350.441   20.142  345.527   20.309  226.760   6.5546  225.144   6.6564 1.615936 9.341858 
1 1 1   10    2   67 o  173.964   5.6172  198.631   12.432  184.132   14.938  231.302   22.424  164.291   6.7095  183.637   9.0108 -19.34613 11.23436 
1 1 1   10    2   68 o  207.910   5.6385  291.304   14.981  282.212   18.227  310.232   26.298  203.335   6.6148  212.485   9.1331 -9.149963 11.27696 
1 1 1   10    2   69 o  269.823   6.9095  502.168   25.263  503.689   35.915  500.678   35.542  270.209   9.8084  269.436   9.7343 0.7727051 13.81890 
1 1 1   10    2   70 o  103.723   5.4506   73.574   7.6028   86.870   11.093   61.797   10.440  112.604   7.2698   94.843   8.1232 17.76041 10.90122 
1 1 1   10    2   71 o  137.997   4.7893  130.395   8.9550  132.560   12.788  128.313   12.544  139.118   6.7835  136.876   6.7626 2.241989 9.578567 
1 1 1   10    2   72 o   52.698   8.1617   20.345   5.6922   16.138   8.1086   24.433   7.9926   47.006   12.509   58.390   10.486 -11.38405 16.32338 
1 1 1   10    2   73 o  178.931   5.7232  219.800   13.037  225.125   22.828  217.223   15.882  179.954   9.3608  177.909   6.5874 2.044998 11.44637 
1 1 1   10    2   74 o  142.295   4.8491  139.161   9.3445  145.206   13.492  133.587   12.955  145.263   6.8538  139.328   6.8614 5.934860 9.698127 
1 1 1   10    2   75 o  127.349   4.9095  111.940   8.4634  106.264   11.990  117.575   11.948  124.068   7.1316  130.630   6.7494 -6.562256 9.819061 
1 1 1   10    2   76 o   35.838   8.8452   8.1457   5.8658  -1.3465   9.9588   13.188   7.2586   29.409   12.931   42.267   12.073 -12.85746 17.69041 
1 1 1   10    2   77 o  132.987   4.9169  122.647   8.8484  116.508   12.604  128.614   12.426  129.608   7.1759  136.367   6.7239 -6.759445 9.833882 
1 1 1   10    2   78 o  157.850   4.7506  172.395   10.134  190.743   14.643  155.527   14.040  166.005   6.5091  149.694   6.9211 16.31174 9.501104 
1 1 1   10    2   79 o   74.371   6.1769   39.119   6.1970   43.716   8.8372   34.671   8.6924   78.832   8.2723   69.910   9.1754 8.922783 12.35388 
1 1 1   10    2   80 o   86.333   5.7828   52.544   6.7653   52.013   9.5315   53.083   9.6040   85.889   8.1891   86.777   8.1670 -0.8880539 11.56556 
1 1 1   10    2   81 o   78.169   7.4787   43.411   7.5627   41.126   9.3040   47.862   12.984   75.917   9.0437   80.421   11.914 -4.503632 14.95745 
1 1 1   10    2   82 o   78.776   9.2265   46.998   9.5178   38.194   12.884   57.574   14.122   69.536   14.154   88.015   11.840 -18.47945 18.45309 
1 1 1   10    2   83 o   45.451   12.697   16.169   8.1215   16.169   8.1215   0.0000   0.0000   45.451   12.697  ?   ?       ?      ? 
1 1 1   10    2   84 o   75.884   6.6339   41.749   6.7348   50.042   9.6833   33.978   9.3733   83.613   8.5461   68.155   10.149 15.45779 13.26772 
1 1 1   10    2   85 o   69.537   6.8731   35.278   6.4603   38.550   9.2539   32.167   9.0229   72.857   9.3729   66.218   10.055 6.638710 13.74611 
1 1 1   10    2   86 o   89.833   6.4114   59.130   7.5512   42.265   10.496   77.225   10.872   75.581   10.248  104.085   7.7079 -28.50441 12.82290 
1 1 1   10    2   87 o   53.901   10.299   22.337   7.4418   33.327   12.963   16.933   9.0889   62.424   15.415   45.379   13.661 17.04454 20.59706 
1 1 1   10    2   88 o   74.133   9.2021   46.267   8.3364   36.529   13.844   51.807   10.442   64.405   15.946   83.861   9.1882 -19.45585 18.40411 
1 1 1   10    2   89 o   64.935   9.5232   34.239   7.7632   38.284   13.339   32.167   9.5465   66.152   15.199   63.718   11.478 2.434109 19.04634 
1 1 1   10    2   90 o   54.314   10.508   24.764   7.6490   33.442   13.218   20.396   9.3788   60.149   15.955   48.479   13.680 11.66916 21.01672 
1 1 1   10    2   91 o   59.127   10.672   30.779   8.2425   37.467   14.177   27.364   10.131   62.248   16.529   56.006   13.505 6.242188 21.34459 
1 1 1   10    2   92 o   31.143   9.7232   0.5818   8.5055  -9.2271   11.685   11.634   12.404   24.991   11.985   37.295   15.314 -12.30427 19.44643 
1 1 1   10    3    0 o  307.270   5.7645  645.461   22.537  625.299   39.030  655.545   27.604  303.590   9.4871  310.950   6.5509 -7.360779 11.52906 
1 1 1   10    3    1 o  195.566   4.8558  253.514   11.952  274.880   21.712  244.223   14.317  201.323   7.9582  189.810   5.5661 11.51363 9.711512 
1 1 1   10    3    2 o  542.676   8.2594  2025.60   57.621  1914.95   97.075  2085.79   71.599  530.898   13.493  554.453   9.5293 -23.55444 16.51888 
1 1 1   10    3    3 o  540.231   9.4937  1982.05   69.487  2032.09   99.469  1934.36   97.112  546.888   13.422  533.574   13.431 13.31384 18.98747 
1 1 1   10    3    4 o  257.929   5.3157  452.566   17.385  447.168   30.466  455.173   21.171  256.744   8.7565  259.113   6.0292 -2.368744 10.63144 
1 1 1   10    3    5 o  400.812   6.2673  1090.53   29.292  1088.55   59.106  1091.17   33.724  400.445   10.892  401.179   6.2033 -0.7337952 12.53459 
1 1 1   10    3    6 o  568.141   8.0621  2214.62   54.097  2144.44  106.248  2239.18   62.854  561.710   13.958  574.572   8.0724 -12.86157 16.12429 
1 1 1   10    3    7 o  489.789   7.1684  1622.35   40.973  1639.37   82.827  1616.84   47.145  491.282   12.441  488.295   7.1248 2.987244 14.33685 
1 1 1   10    3    8 o  263.725   5.3404  472.248   17.866  470.045   31.342  473.308   21.745  263.227   8.7864  264.223   6.0729 -0.9953613 10.68086 
1 1 1   10    3    9 o  716.896   10.297  3492.96   94.200  3495.63  163.523  3491.64  115.243  716.709   16.837  717.084   11.859 -0.3744507 20.59403 
1 1 1   10    3   10 o  991.663   11.221  6683.00  150.724  6875.17  216.991  6503.84  209.516  1005.41   15.926  977.912   15.810 27.50165 22.44119 
1 1 1   10    3   11 o  435.995   5.6841  1288.74   33.578  1263.46   46.968  1315.17   48.022  431.624   8.0300  440.366   8.0472 -8.741760 11.36826 
1 1 1   10    3   12 o  614.964   7.3675  2564.91   61.382  2509.43   85.640  2623.51   88.023  608.131   10.392  621.795   10.446 -13.66400 14.73490 
1 1 1   10    3   13 o  187.643   3.8833  238.692   9.8734  241.943   13.922  235.402   14.005  188.929   5.4377  186.357   5.5456 2.572556 7.766701 
1 1 1   10    3   14 o  626.847   7.4898  2665.93   63.623  2669.69   89.972  2662.16   89.983  627.290   10.584  626.404   10.600 0.8859253 14.97969 
1 1 1   10    3   15 o  981.571   11.098  6533.56  147.466  6275.57  203.058  6821.48  214.511  961.123   15.590  1002.02   15.798 -40.89655 22.19517 
1 1 1   10    3   16 o  474.774   6.0421  1528.36   38.873  1542.93   55.187  1514.01   54.764  477.020   8.5373  472.529   8.5523 4.491089 12.08415 
1 1 1   10    3   17 o  606.875   7.3187  2482.81   59.997  2303.29   81.038  2700.58   89.254  582.750   10.262  631.000   10.438 -48.25049 14.63741 
1 1 1   10    3   18 o  757.994   8.8063  3897.66   90.447  3847.00  126.774  3950.17  129.079  752.981   12.424  763.006   12.484 -10.02545 17.61254 
1 1 1   10    3   19 o  272.996   4.4053  504.987   16.295  496.516   22.793  513.841   23.304  270.656   6.2145  275.337   6.2456 -4.680878 8.810672 
1 1 1   10    3   20 o  986.294   15.803  6589.65  210.675  6211.04  285.780  7040.33  311.797  955.453   22.072  1017.13   22.621 -61.68140 31.60501 
1 1 1   10    3   21 o  763.816   17.666  3963.40  182.856  3963.40  182.856   0.0000   0.0000  763.816   17.666  ?   ?       ?      ? 
1 1 1   10    3   22 o  905.696   12.597  5420.73  142.899  5969.09  262.749  5190.40  170.285  936.915   20.695  874.478   14.370 62.43658 25.19433 
1 1 1   10    3   23 o  826.785   11.628  4657.21  123.284  4595.67  211.180  4689.02  151.844  822.319   18.951  831.251   13.480 -8.931396 23.25603 
1 1 1   10    3   24 o  1350.11   14.989 12398.26  274.225 12444.21  388.803 12352.79  386.831  1352.59   21.212  1347.62   21.182 4.970459 29.97711 
1 1 1   10    3   25 o  578.616   7.0454  2270.48   55.243  2279.75   78.136  2261.21   78.114  579.799   9.9448  577.434   9.9826 2.364746 14.09082 
1 1 1   10    3   26 o  576.713   8.6005  2249.19   63.277  2278.76  110.263  2234.66   77.267  579.399   14.043  574.026   9.9329 5.372742 17.20109 
1 1 1   10    3   27 o  286.823   5.5314  543.869   20.175  597.482   36.035  519.389   24.349  296.836   8.9582  276.809   6.4912 20.02646 11.06281 
1 1 1   10    3   28 o  374.082   7.3326  948.699   37.171  948.699   37.171   0.0000   0.0000  374.082   7.3326  ?   ?       ?      ? 
1 1 1   10    3   29 o  564.800   13.803  2165.98  105.645   0.0000   0.0000  2165.98  105.645  ?   ?   564.800   13.803      ?      ? 
1 1 1   10    3   30 o  522.357   7.9821  1860.46   53.434  1879.34   65.825  1823.98   91.501  526.391   9.2278  518.323   13.027 8.067993 15.96414 
1 1 1   10    3   31 o  406.544   5.4981  1120.75   30.289  1125.66   42.739  1115.80   42.933  407.439   7.7407  405.649   7.8101 1.789795 10.99621 
1 1 1   10    3   32 o  466.872   6.0340  1477.90   38.169  1515.91   54.477  1441.24   53.494  472.769   8.5032  460.975   8.5634 11.79379 12.06794 
1 1 1   10    3   33 f  880.162   10.079  5261.76  120.184  5160.64  167.731  5368.45  172.291  871.484   14.203  888.840   14.304 -17.35522 20.15740 
1 1 1   10    3   34 o  433.359   5.7710  1272.04   33.867  1335.69   48.883  1213.29   46.965  443.772   8.1287  422.947   8.1941 20.82416 11.54203 
1 1 1   10    3   35 o  525.302   6.5786  1871.59   46.820  1836.56   65.376  1908.48   67.084  520.260   9.2728  530.344   9.3342 -10.08435 13.15721 
1 1 1   10    3   36 o  464.058   6.0281  1460.71   37.904  1440.95   53.086  1481.26   54.137  460.859   8.5001  467.257   8.5499 -6.398468 12.05621 
1 1 1   10    3   37 o  164.294   5.9011  183.018   13.138   0.0000   0.0000  183.018   13.138  ?   ?   164.294   5.9011      ?      ? 
1 1 1   10    3   38 o  428.156   7.0367  1246.47   38.400  1249.84   46.956  1239.67   66.722  429.186   8.0735  427.125   11.527 2.060669 14.07342 
1 1 1   10    3   39 o  537.293   6.7071  1959.97   48.831  1942.03   68.570  1978.43   69.557  534.802   9.4615  539.784   9.5090 -4.982422 13.41421 
1 1 1   10    3   40 f  468.346   8.6115  1489.09   54.655   0.0000   0.0000  1489.09   54.655  ?   ?   468.346   8.6115      ?      ? 
1 1 1   10    3   41 o  210.653   6.0115  300.977   17.161  300.977   17.161   0.0000   0.0000  210.653   6.0115  ?   ?       ?      ? 
1 1 1   10    3   42 o  735.886   10.610  3683.03   99.585  3729.78  173.477  3660.05  121.620  738.506   17.334  733.267   12.239 5.238281 21.21975 
1 1 1   10    3   43 o  241.627   8.8979  396.639   29.135  396.639   29.135   0.0000   0.0000  241.627   8.8979  ?   ?       ?      ? 
1 1 1   10    3   44 o  444.319   7.2278  1338.43   40.978  1355.46   71.351  1330.05   50.057  446.142   11.802  442.497   8.3478 3.645447 14.45563 
1 1 1   10    3   45 o  372.419   7.5167  941.828   37.935  941.828   37.935   0.0000   0.0000  372.419   7.5167  ?   ?       ?      ? 
1 1 1   10    3   46 o  635.766   7.6864  2751.50   66.214  2800.79   94.518  2704.00   92.787  641.354   10.875  630.178   10.865 11.17639 15.37281 
1 1 1   10    3   47 o  354.952   5.1941  855.581   24.981  873.341   35.559  838.274   35.103  358.592   7.3176  351.312   7.3733 7.279266 10.38813 
1 1 1   10    3   48 o  394.469   6.7462  1060.98   33.977  1065.21   41.638  1052.54   58.781  395.936   7.7604  393.002   11.037 2.933380 13.49240 
1 1 1   10    3   49 o  362.202   6.4937  905.974   30.136  935.630   37.352  850.664   51.010  371.086   7.4276  353.319   10.654 17.76678 12.98747 
1 1 1   10    3   50 o  247.437   6.4243  415.757   21.541   0.0000   0.0000  415.757   21.541  ?   ?   247.437   6.4243      ?      ? 
1 1 1   10    3   51 o  429.888   5.8144  1256.94   33.871  1268.83   48.008  1245.15   47.795  431.917   8.2022  427.859   8.2433 4.057373 11.62876 
1 1 1   10    3   52 o  385.401   5.4625  1009.99   28.529  1018.90   40.436  1001.16   40.256  387.096   7.7085  383.706   7.7419 3.390137 10.92506 
1 1 1   10    3   53 o  325.444   5.0134  719.923   22.109  730.129   31.314  709.778   31.220  327.750   7.0504  323.139   7.1295 4.611298 10.02684 
1 1 1   10    3   54 o  150.506   5.4074  155.040   10.284  156.781   12.505  151.401   18.078  151.928   6.0737  149.085   8.9481 2.843140 10.81473 
1 1 1   10    3   55 o  157.027   5.4353  169.122   10.833  171.735   13.241  163.832   18.842  158.994   6.1456  155.061   8.9667 3.932312 10.87056 
1 1 1   10    3   56 o  150.315   4.4182  153.512   8.9990  151.906   12.631  155.168   12.824  149.517   6.2340  151.112   6.2625 -1.594604 8.836372 
1 1 1   10    3   57 o   93.717   5.0996   59.831   6.4468   67.207   9.2034   52.726   9.0333   99.415   6.8315   88.019   7.5733 11.39520 10.19925 
1 1 1   10    3   58 o  211.275   4.5118  303.240   12.906  321.454   18.492  285.942   18.021  217.467   6.2751  205.082   6.4845 12.38541 9.023579 
1 1 1   10    3   59 o  195.558   5.3878  251.740   13.498  286.673   23.913  235.403   16.352  205.053   8.6055  186.064   6.4854 18.98921 10.77565 
1 1 1   10    3   61 o  272.036   4.7799  503.230   17.612  526.210   25.239  481.419   24.588  278.095   6.6971  265.976   6.8218 12.11975 9.559725 
1 1 1   10    3   62 o  225.509   4.5901  346.026   14.027  347.123   19.826  344.927   19.849  225.869   6.4773  225.149   6.5056 0.7198181 9.180287 
1 1 1   10    3   63 o  130.637   4.7646  116.180   8.4223  124.852   12.035  107.858   11.790  135.430   6.5579  125.844   6.9137 9.586281 9.529174 
1 1 1   10    3   64 o  160.331   4.6902  175.112   10.186  176.421   14.234  173.738   14.583  160.959   6.5258  159.704   6.7382 1.254700 9.380320 
1 1 1   10    3   65 o  146.281   6.7731  145.846   13.426  145.846   13.426   0.0000   0.0000  146.281   6.7731  ?   ?       ?      ? 
1 1 1   10    3   66 o  273.567   6.0028  514.144   20.971  506.832   36.182  517.843   25.733  271.619   9.8300  275.515   6.8923 -3.895721 12.00556 
1 1 1   10    3   67 o  113.939   5.0524   88.704   7.7988   87.372   11.107   89.999   10.953  113.082   7.2483  114.796   7.0406 -1.714249 10.10485 
1 1 1   10    3   68 o  130.471   4.8144  116.220   8.4958  126.391   12.190  106.614   11.847  136.049   6.6119  124.894   6.9998 11.15491 9.628864 
1 1 1   10    3   69 o  100.293   5.4330   68.982   7.3592   61.808   10.291   76.489   10.528   94.906   8.0018  105.681   7.3513 -10.77528 10.86603 
1 1 1   10    3   70 o   63.058   8.6623   28.928   6.8458   30.182   8.4426   26.521   11.698   66.091   9.4265   60.024   14.535 6.066589 17.32455 
1 1 1   10    3   71 o  117.168   4.9510   94.177   7.8589   91.806   11.130   96.534   11.099  115.677   7.0998  118.659   6.9024 -2.981285 9.902047 
1 1 1   10    3   72 o  159.375   4.6668  174.025   10.055  191.170   14.467  158.004   13.985  167.021   6.3919  151.730   6.8014 15.29106 9.333528 
1 1 1   10    3   73 o  109.189   5.1545   82.074   7.6134   88.923   10.917   75.589   10.623  113.670   7.0873  104.708   7.4864 8.961884 10.30905 
1 1 1   10    3   74 o   48.082   12.063   17.074   7.8472   0.0000   0.0000   17.074   7.8472  ?   ?    48.082   12.063      ?      ? 
1 1 1   10    3   75 o   84.481   7.3402   44.106   7.8011   69.733   14.802   34.251   9.1794   99.131   11.019   69.830   9.7004 29.30058 14.68038 
1 1 1   10    3   76 o   60.126   7.2394   25.976   5.7484   23.272   8.0636   28.770   8.1970   56.318   10.960   63.934   9.4610 -7.616508 14.47878 
1 1 1   10    3   77 o   34.616   8.7132   7.7601   5.1711   6.2880   7.1998   9.3286   7.4317   32.569   12.153   36.663   12.490 -4.094681 17.42642 
1 1 1   10    3   78 o  154.135   4.7873  164.772   9.9916  155.938   13.951  174.075   14.317  149.841   6.8705  158.428   6.6686 -8.586472 9.574629 
1 1 1   10    3   79 o   36.635   9.6579   7.8572   6.0846   6.0724   7.3731   11.668   10.773   32.256   12.241   41.014   14.942 -8.757607 19.31578 
1 1 1   10    3   80 o   48.129   8.5055   17.797   5.6603   22.906   8.0105   12.702   7.9992   55.250   11.085   41.009   12.904 14.24112 17.01099 
1 1 1   10    3   81 o  130.275   4.9720  118.766   8.7768  116.746   12.315  120.852   12.512  129.147   7.0368  131.404   7.0263 -2.257507 9.944098 
1 1 1   10    3   82 o  137.071   5.0515  131.922   9.3718  140.212   13.339  123.841   13.170  141.447   6.9591  132.696   7.3239 8.750244 10.10292 
1 1 1   10    3   83 o   83.612   6.2499   50.207   7.0421   56.624   10.046   44.007   9.8746   89.138   8.3164   78.086   9.3318 11.05199 12.49979 
1 1 1   10    3   84 o   40.678   10.021   12.715   6.7347   13.976   8.3993   10.445   11.270   42.198   13.214   39.158   15.068 3.040257 20.04128 
1 1 1   10    3   85 o   38.785   9.9953   10.977   6.6757   11.515   10.897   10.654   8.4462   39.779   14.930   37.791   13.294 1.987694 19.99063 
1 1 1   10    3   86 o   98.457   7.0698   69.546   8.9448   65.249   10.909   78.363   15.626   95.105   8.4643  101.809   11.326 -6.704262 14.13955 
1 1 1   10    3   87 o   77.182   9.3662   52.333   8.5740   33.243   14.195   63.300   10.758   60.956   16.693   93.408   8.4992 -32.45261 18.73248 
1 1 1   10    3   88 o   40.694   13.713   13.593   8.9575   0.0000   0.0000   13.593   8.9575  ?   ?    40.694   13.713      ?      ? 
1 1 1   10    3   89 o   29.092   8.8738   1.6529   6.7209  -8.4108   11.793   6.4945   8.1794   26.207   12.419   31.977   12.679 -5.770144 17.74758 
1 1 1   10    3   90 o   78.349   9.4002   52.721   8.8599   46.353   15.312   55.926   10.863   70.569   16.335   86.130   9.3071 -15.56087 18.80032 
1 1 1   10    3   91 o   39.592   11.077   13.873   8.8420   12.213   12.708   15.430   12.311   38.270   15.583   40.914   15.747 -2.644421 22.15396 
1 1 1   10    3   92 o   56.074   11.918   32.823   9.7961   34.721   14.032   31.018   13.683   57.791   16.868   54.357   16.839 3.433300 23.83506 
1 1 1   10    4    0 o  318.777   4.7255  688.709   20.409  670.158   28.530  708.149   29.205  314.382   6.6968  323.171   6.6688 -8.789154 9.450942 
1 1 1   10    4    1 o  334.665   6.0337  761.213   25.609  755.614   44.912  763.910   31.174  333.684   9.9322  335.647   6.8536 -1.963928 12.06735 
1 1 1   10    4    2 o  300.609   5.7916  626.217   22.167  572.890   37.733  654.321   27.393  290.566   9.5828  310.652   6.5069 -20.08621 11.58320 
1 1 1   10    4    3 o  156.047   5.7623  165.223   12.177  172.398   17.245  158.086   17.198  159.431   7.9818  152.663   8.3131 6.768021 11.52462 
1 1 1   10    4    4 o  362.506   7.3312  891.833   36.012  887.236   50.637  896.538   51.227  361.563   10.335  363.449   10.401 -1.886566 14.66238 
1 1 1   10    4    5 o  534.265   9.4484  1937.83   68.379  1885.50   95.075  1993.90   98.416  526.804   13.318  541.726   13.406 -14.92230 18.89678 
1 1 1   10    4    6 o  391.414   7.6521  1039.88   40.587  1039.13   57.211  1040.65   57.590  391.273   10.790  391.555   10.854 -0.2821350 15.30420 
1 1 1   10    4    7 o  727.693   12.100  3602.97  119.320  3633.88  169.482  3572.59  168.015  730.787   17.114  724.600   17.111 6.187805 24.20050 
1 1 1   10    4    8 o  329.215   6.9528  735.198   31.015  726.047   43.450  744.704   44.285  327.128   9.8015  331.302   9.8639 -4.173462 13.90562 
1 1 1   10    4    9 o  805.400   13.210  4414.68  144.170  4478.20  205.487  4353.10  202.324  811.103   18.695  799.698   18.670 11.40442 26.42092 
1 1 1   10    4   10 o  146.853   5.7398  146.091   11.416  141.755   15.821  150.802   16.490  144.582   8.0746  149.123   8.1598 -4.541046 11.47964 
1 1 1   10    4   11 o  867.497   12.198  5139.11  135.668  5048.04  232.167  5186.33  167.181  861.133   19.895  873.861   14.118 -12.72791 24.39523 
1 1 1   10    4   12 o  745.481   8.6760  3770.21   87.627  3698.40  122.314  3845.92  125.596  738.196   12.227  752.766   12.312 -14.56927 17.35195 
1 1 1   10    4   13 o  864.829   14.001  5077.97  164.085   0.0000   0.0000  5077.97  164.085  ?   ?   864.829   14.001      ?      ? 
1 1 1   10    4   14 o  663.048   7.8486  2981.40   70.509  2931.31   98.576  3033.87  100.894  657.350   11.066  668.745   11.133 -11.39575 15.69730 
1 1 1   10    4   15 o  714.161   8.3556  3460.05   80.862  3488.74  114.802  3431.79  113.915  717.100   11.814  711.222   11.819 5.877747 16.71113 
1 1 1   10    4   16 o  998.001   13.807  6823.60  177.341  6602.34  299.914  6942.55  219.905  984.919   22.471  1011.08   16.050 -26.16394 27.61369 
1 1 1   10    4   17 o  592.332   8.7488  2396.84   66.727  2327.22  112.867  2434.25   82.734  585.549   14.224  599.116   10.190 -13.56732 17.49766 
1 1 1   10    4   18 o  551.067   8.2599  2071.13   58.567  2024.14   99.389  2096.13   72.489  546.150   13.429  555.984   9.6212 -9.834106 16.51980 
1 1 1   10    4   19 o  487.279   6.1776  1609.45   40.787  1645.18   58.175  1574.91   57.200  492.597   8.7148  481.961   8.7580 10.63611 12.35518 
1 1 1   10    4   20 o  789.516   9.1249  4229.40   97.626  4227.50  137.777  4231.31  138.354  789.340   12.880  789.691   12.929 -0.3510132 18.24974 
1 1 1   10    4   21 o  874.002   9.9906  5184.49  118.327  5179.67  166.979  5189.35  167.704  873.596   14.105  874.407   14.153 -0.8115845 19.98125 
1 1 1   10    4   22 o  249.557   5.4171  420.493   16.921  417.790   20.315  426.616   30.578  248.276   6.0382  250.837   8.9957 -2.560974 10.83427 
1 1 1   10    4   23 o  934.419   10.615  5914.30  134.249  5660.29  184.279  6201.58  195.973  913.103   14.893  955.735   15.131 -42.63287 21.23085 
1 1 1   10    4   24 o  692.682   10.017  3304.81   89.800  3090.20  148.685  3428.04  112.670  674.518   16.266  710.847   11.696 -36.32849 20.03493 
1 1 1   10    4   25 o  1111.58   17.645  8420.87  265.782  8331.23  373.085  8513.23  378.723  1105.59   24.902  1117.57   25.007 -11.98364 35.29092 
1 1 1   10    4   26 o  824.937   11.590  4500.92  119.744  4315.04  142.717  4942.93  220.083  797.322   13.209  852.552   19.049 -55.23004 23.18084 
1 1 1   10    4   27 o  350.037   6.0706  804.021   26.839  760.558   32.134  904.273   48.804  334.945   7.0797  365.130   9.8634 -30.18488 12.14122 
1 1 1   10    4   28 o  685.053   9.9283  3187.06   86.914  3186.65  150.439  3187.26  106.483  684.764   16.212  685.343   11.465 -0.5781860 19.85656 
1 1 1   10    4   29 o  465.473   6.0263  1469.14   38.009  1454.67   53.308  1484.11   54.208  463.143   8.4937  467.804   8.5511 -4.660736 12.05251 
1 1 1   10    4   30 o  320.737   4.8255  697.288   20.970  689.703   29.313  705.238   30.010  318.952   6.7820  322.521   6.8663 -3.569763 9.651011 
1 1 1   10    4   31 o  495.978   6.2960  1668.20   42.310  1647.74   59.202  1689.57   60.490  492.873   8.8638  499.084   8.9439 -6.211029 12.59209 
1 1 1   10    4   32 o  199.738   4.1522  270.410   11.233  269.191   15.623  271.714   16.163  199.274   5.7854  200.202   5.9576 -0.9286194 8.304400 
1 1 1   10    4   33 o  310.461   4.7813  653.525   20.109  675.817   28.572  631.641   28.308  315.710   6.6783  305.212   6.8443 10.49814 9.562649 
1 1 1   10    4   34 o  364.207   5.1847  899.420   25.584  924.741   36.425  874.764   35.943  369.267   7.2790  359.146   7.3852 10.12180 10.36939 
1 1 1   10    4   35 o  447.587   8.3407  1359.13   50.590   0.0000   0.0000  1359.13   50.590  ?   ?   447.587   8.3407      ?      ? 
1 1 1   10    4   36 o  518.065   6.5258  1820.77   45.802  1785.78   63.863  1857.83   65.724  512.946   9.1875  523.183   9.2702 -10.23755 13.05167 
1 1 1   10    4   37 o  334.147   4.9755  756.732   22.520  735.262   31.299  779.779   32.428  329.238   7.0152  339.056   7.0577 -9.818329 9.951098 
1 1 1   10    4   38 o  690.942   8.1947  3242.38   76.693  3153.92  106.493  3337.69  110.541  681.170   11.537  700.714   11.641 -19.54358 16.38950 
1 1 1   10    4   39 o  419.757   8.0253  1197.01   45.627  1171.49   63.302  1224.60   65.824  415.117   11.253  424.398   11.445 -9.281525 16.05064 
1 1 1   10    4   40 o  409.260   7.9182  1138.53   43.897  1124.68   61.063  1153.35   63.148  406.700   11.080  411.820   11.315 -5.120270 15.83649 
1 1 1   10    4   41 o  245.034   6.1972  407.311   20.578  407.311   20.578   0.0000   0.0000  245.034   6.1972  ?   ?       ?      ? 
1 1 1   10    4   42 o  288.051   4.6926  563.086   18.314  576.029   25.925  550.193   25.876  291.360   6.5660  284.742   6.7059 6.617706 9.385172 
1 1 1   10    4   43 o  490.155   8.8825  1632.54   59.000  1632.54   59.000   0.0000   0.0000  490.155   8.8825  ?   ?       ?      ? 
1 1 1   10    4   44 o  641.862   7.7405  2804.55   67.327  2814.23   95.196  2794.86   95.234  642.976   10.925  640.749   10.968 2.227722 15.48092 
1 1 1   10    4   45 o  305.492   5.9731  641.623   23.445  610.420   39.609  658.453   29.088  299.557   9.7573  311.427   6.8925 -11.87064 11.94626 
1 1 1   10    4   46 o  437.263   7.1817  1308.84   40.203  1324.48   49.504  1278.55   68.899  441.456   8.2751  433.070   11.740 8.385590 14.36339 
1 1 1   10    4   47 o  189.763   4.2742  244.360   10.989  241.858   15.360  246.983   15.729  188.771   6.0043  190.756   6.0847 -1.985367 8.548415 
1 1 1   10    4   48 o   96.739   4.7015   63.630   6.1553   65.859   8.5934   61.281   8.8210   98.488   6.4388   94.990   6.8526 3.498085 9.402991 
1 1 1   10    4   49 f  220.200   4.4042  329.306   13.138  338.438   18.552  320.121   18.607  223.270   6.1317  217.130   6.3238 6.139725 8.808399 
1 1 1   10    4   50 o  129.552   4.4140  113.911   7.7467  111.763   10.787  116.198   11.132  128.293   6.2044  130.810   6.2801 -2.517319 8.828060 
1 1 1   10    4   51 o   83.863   5.1883   47.821   5.8942   48.621   8.2751   46.998   8.3976   84.579   7.2198   83.147   7.4529 1.431786 10.37652 
1 1 1   10    4   52 o  400.337   5.5915  1090.16   30.333  1105.37   43.035  1075.13   42.761  403.119   7.8778  397.555   7.9373 5.564178 11.18304 
1 1 1   10    4   53 o  181.669   6.1356  224.178   15.105  224.178   15.105   0.0000   0.0000  181.669   6.1356  ?   ?       ?      ? 
1 1 1   10    4   54 o  153.362   4.3980  159.865   9.1343  166.188   12.906  153.520   12.930  156.410   6.0891  150.314   6.3475 6.096085 8.795905 
1 1 1   10    4   55 o  270.627   4.7253  497.890   17.329  502.826   24.469  492.925   24.543  271.978   6.6390  269.276   6.7259 2.702301 9.450646 
1 1 1   10    4   56 f  303.610   6.0318  623.527   23.349  614.868   28.449  641.394   40.866  300.682   6.9821  306.539   9.8377 -5.857056 12.06358 
1 1 1   10    4   57 o  381.203   6.7516  1007.41   33.168  939.238   55.335  1045.64   41.438  370.521   11.020  391.886   7.8029 -21.36493 13.50319 
1 1 1   10    4   58 o  281.219   4.8478  537.267   18.461  511.009   25.629  565.586   26.615  274.079   6.9004  288.358   6.8111 -14.27979 9.695684 
1 1 1   10    4   59 o  171.786   4.5213  200.676   10.525  203.666   14.894  197.694   14.874  173.069   6.3505  170.504   6.4376 2.564743 9.042699 
1 1 1   10    4   60 o  101.078   5.2505   69.568   7.1912   70.888   10.229   68.279   10.111  102.027   7.3987  100.128   7.4519 1.898735 10.50102 
1 1 1   10    4   61 o  213.169   6.5938  310.295   19.033  293.871   26.558  327.638   27.291  207.349   9.4518  218.989   9.1965 -11.63957 13.18756 
1 1 1   10    4   62 f  372.476   7.7906  949.927   39.277  1011.51   57.070  894.508   54.137  383.940   10.969  361.011   11.066 22.92841 15.58121 
1 1 1   10    4   63 o  282.572   6.0042  545.620   21.699  545.879   26.619  545.108   37.463  283.057   6.9395  282.087   9.8003 0.9702759 12.00844 
1 1 1   10    4   64 o  188.462   4.6254  241.726   11.796  224.403   16.429  260.161   16.948  181.477   6.6806  195.447   6.3990 -13.96980 9.250843 
1 1 1   10    4   65 o  306.653   5.0470  641.674   20.973  640.450   29.554  642.916   29.767  306.364   7.1186  306.941   7.1565 -0.5775757 10.09408 
1 1 1   10    4   66 o   94.637   5.4542   61.295   6.9889   59.124   9.9593   63.402   9.8098   92.963   7.9057   96.312   7.5162 -3.349083 10.90837 
1 1 1   10    4   67 o  249.719   4.7560  425.292   16.081  450.280   23.166  402.053   22.340  256.809   6.6566  242.628   6.7946 14.18071 9.511992 
1 1 1   10    4   68 o  131.138   4.8177  117.545   8.5598  118.444   12.247  116.686   11.969  131.619   6.8661  130.657   6.7599 0.9621582 9.635345 
1 1 1   10    4   69 o   81.381   8.1972   45.522   9.0400   0.0000   0.0000   45.522   9.0400  ?   ?    81.381   8.1972      ?      ? 
1 1 1   10    4   70 o  176.609   6.5577  213.522   15.694   0.0000   0.0000  213.522   15.694  ?   ?   176.609   6.5577      ?      ? 
1 1 1   10    4   71 o   85.800   6.7880   46.049   7.4910   34.003   9.0808   71.707   13.253   69.983   9.5752  101.616   9.6241 -31.63310 13.57603 
1 1 1   10    4   72 o   66.072   8.1071   29.326   6.8655   38.061   11.872   24.937   8.4155   73.392   11.937   58.752   10.973 14.63974 16.21425 
1 1 1   10    4   73 o   80.738   6.1017   45.287   6.6725   44.783   9.5567   45.767   9.3205   80.263   8.7864   81.213   8.4690 -0.9501190 12.20344 
1 1 1   10    4   74 o   46.752   8.5894   16.191   5.4926   15.640   7.7312   16.753   7.8047   45.956   12.208   47.549   12.087 -1.592937 17.17877 
1 1 1   10    4   75 o   97.692   5.4164   66.290   7.1644   64.832   10.270   67.671   9.9989   96.587   7.8467   98.796   7.4684 -2.208870 10.83272 
1 1 1   10    4   76 o  153.132   5.9160  164.686   11.554  161.927   19.921  166.085   14.183  151.327   9.7143  154.938   6.7550 -3.611359 11.83205 
1 1 1   10    4   77 f   42.722   9.6445   13.911   6.5141   17.213   8.1259   7.9728   10.897   47.674   12.445   37.771   14.738 9.903732 19.28893 
1 1 1   10    4   78 o   70.143   6.7245   35.034   6.3897   34.243   9.0695   35.814   9.0037   69.303   9.6572   70.982   9.3602 -1.679352 13.44897 
1 1 1   10    4   79 o  109.802   5.3208   84.373   7.8823   74.176   10.921   95.459   11.388  102.729   7.8450  116.876   7.1901 -14.14672 10.64151 
1 1 1   10    4   80 f  151.894   4.8774  161.265   10.032  165.251   14.050  157.120   14.329  153.915   6.7364  149.873   7.0552 4.042572 9.754707 
1 1 1   10    4   81 o   95.968   5.6381   65.154   7.3310   64.442   10.422   65.851   10.314   95.404   8.0615   96.531   7.8844 -1.127357 11.27612 
1 1 1   10    4   82 o   50.808   8.6484   20.117   5.9020   17.837   8.3988   22.341   8.2956   47.677   12.751   53.940   11.687 -6.263412 17.29678 
1 1 1   10    4   83 o   49.184   8.0847   18.042   5.9719   6.5426   8.2007   31.025   8.7137   33.102   12.821   65.267   9.8521 -32.16478 16.16935 
1 1 1   10    4   84 o  101.387   5.6998   72.993   7.7744   61.822   10.642   85.781   11.386   92.848   8.4577  109.927   7.6431 -17.07896 11.39952 
1 1 1   10    4   85 o   56.699   10.844   27.831   8.9880   36.426   12.284   17.928   13.186   67.003   13.981   46.395   16.579 20.60886 21.68702 
1 1 1   10    4   86 o   53.691   9.8493   24.710   7.2817   19.571   11.745   27.919   9.2808   47.791   15.691   59.591   11.909 -11.79927 19.69855 
1 1 1   10    4   87 o   38.921   10.097   11.052   6.8403   15.811   11.122   8.1567   8.6751   43.367   15.255   34.475   13.231 8.891922 20.19371 
1 1 1   10    4   88 o   82.748   9.2081   57.653   9.1847   47.492   15.399   63.264   11.443   73.114   15.988   92.381   9.1406 -19.26656 18.41614 
1 1 1   10    4   89 o   38.990   15.680   11.915   12.690   0.0000   0.0000   11.915   12.690  ?   ?    38.990   15.680      ?      ? 
1 1 1   10    4   90 o   44.333   10.544   15.870   8.9526   0.5130   12.575   31.656   12.749   30.791   13.958   57.875   15.808 -27.08389 21.08836 
1 1 1   10    4   91 o   34.770   10.425   8.2933   8.5132   9.1416   12.345   7.5240   11.756   35.486   14.977   34.054   14.504 1.432301 20.84902 
1 1 1   10    4   92 o   46.736   11.848   23.889   9.5579   22.503   13.741   25.188   13.303   45.316   16.813   48.157   16.698 -2.840870 23.69604 
1 1 1   10    5    0 o  456.047   5.9052  1408.97   36.473  1358.34   50.577  1463.83   52.647  447.522   8.3398  464.573   8.3626 -17.05115 11.81040 
1 1 1   10    5    1 o  401.450   5.4226  1092.39   29.493  1122.55   42.204  1063.60   41.233  406.865   7.6545  396.036   7.6829 10.82816 10.84516 
1 1 1   10    5    2 o  454.889   5.8940  1403.03   36.328  1430.25   51.840  1376.76   50.925  459.224   8.3302  450.554   8.3406 8.669800 11.78806 
1 1 1   10    5    3 o  747.691   10.721  3810.74  102.474  3765.01  176.668  3833.92  125.799  743.919   17.525  751.463   12.353 -7.542969 21.44105 
1 1 1   10    5    4 o  259.079   5.4335  452.985   17.768  461.053   31.642  449.269   21.473  260.720   8.9560  257.437   6.1550 3.283295 10.86709 
1 1 1   10    5    5 o  199.322   5.9878  269.473   16.171  274.519   22.831  264.393   22.907  201.197   8.3738  197.448   8.5611 3.749588 11.97557 
1 1 1   10    5    6 f  316.721   6.9043  679.601   29.607  720.685   42.649  641.384   41.134  325.953   9.6555  307.489   9.8716 18.46347 13.80865 
1 1 1   10    5    7 o  866.130   14.100  5105.86  165.497  5092.01  233.435  5119.86  234.667  864.954   19.915  867.306   19.966 -2.351990 28.20063 
1 1 1   10    5    8 o  434.154   8.2270  1278.98   48.402  1272.68   68.219  1285.37   68.683  433.078   11.624  435.230   11.645 -2.152283 16.45391 
1 1 1   10    5    9 o  387.696   10.880  1019.67   57.163   0.0000   0.0000  1019.67   57.163  ?   ?   387.696   10.880      ?      ? 
1 1 1   10    5   10 o  797.873   18.563  4327.99  200.703   0.0000   0.0000  4327.99  200.703  ?   ?   797.873   18.563      ?      ? 
1 1 1   10    5   11 o  219.100   8.6946  325.495   25.815   0.0000   0.0000  325.495   25.815  ?   ?   219.100   8.6946      ?      ? 
1 1 1   10    5   12 o  736.518   10.599  3698.28   99.801  3729.71  122.593  3636.53  171.848  741.428   12.202  731.607   17.333 9.820557 21.19731 
1 1 1   10    5   13 o  483.580   6.1497  1584.89   40.291  1553.96   56.261  1617.45   57.728  478.740   8.6721  488.420   8.7218 -9.680573 12.29941 
1 1 1   10    5   14 o  288.095   4.5368  562.564   17.711  562.066   24.879  563.076   25.217  287.966   6.3755  288.224   6.4563 -0.2575378 9.073635 
1 1 1   10    5   15 o  797.604   9.2096  4316.32   99.538  4281.13  139.883  4352.41  141.669  794.314   12.995  800.894   13.053 -6.579651 18.41920 
1 1 1   10    5   16 o  525.585   6.5419  1872.44   46.585  1841.09   65.119  1905.30   66.672  521.082   9.2218  530.088   9.2814 -9.005981 13.08383 
1 1 1   10    5   17 o  683.870   8.0877  3169.11   74.910  3075.85  103.854  3270.25  108.154  673.396   11.381  694.343   11.494 -20.94684 16.17530 
1 1 1   10    5   18 o  1309.54   14.559 11659.97  258.349 11771.16  367.603 11551.45  363.159  1315.71   20.618  1303.38   20.561 12.32434 29.11762 
1 1 1   10    5   19 f  273.860   4.4822  508.107   16.629  499.504   23.159  517.262   23.891  271.469   6.2954  276.251   6.3819 -4.782074 8.964416 
1 1 1   10    5   20 o  420.425   5.6116  1198.03   31.965  1230.08   45.552  1166.94   44.868  425.964   7.8913  414.886   7.9804 11.07758 11.22316 
1 1 1   10    5   21 o  550.870   8.2874  2070.39   58.590  2095.85   72.322  2021.78   99.938  555.937   9.5998  545.804   13.512 10.13220 16.57481 
1 1 1   10    5   22 o  785.699   12.843  4189.16  136.738  4189.16  136.738   0.0000   0.0000  785.699   12.843  ?   ?       ?      ? 
1 1 1   10    5   23 o  417.794   6.9168  1172.65   36.412  1154.02   43.859  1213.97   65.317  412.573   7.8446  423.015   11.394 -10.44171 13.83354 
1 1 1   10    5   24 o  530.936   6.6098  1911.09   47.546  1882.39   66.399  1941.29   68.115  526.849   9.3003  535.023   9.3948 -8.173950 13.21956 
1 1 1   10    5   25 o  637.794   7.6379  2759.55   66.012  2788.09   93.697  2731.43   93.017  641.069   10.785  634.519   10.818 6.550110 15.27573 
1 1 1   10    5   26 o  541.103   6.7191  1985.22   49.258  1954.25   68.779  2017.83   70.579  536.774   9.4554  545.431   9.5490 -8.656189 13.43825 
1 1 1   10    5   27 o  668.493   7.9436  3030.65   71.935  2961.71  100.098  3104.27  103.448  660.641   11.181  676.345   11.287 -15.70343 15.88722 
1 1 1   10    5   28 o  440.288   5.8109  1314.64   34.669  1314.51   48.815  1314.76   49.248  440.268   8.1819  440.307   8.2536 -0.3915405E-01 11.62177 
1 1 1   10    5   29 o  421.541   8.0701  1205.08   46.100   0.0000   0.0000  1205.08   46.100  ?   ?   421.541   8.0701      ?      ? 
1 1 1   10    5   30 o  251.613   8.7217  429.425   29.738   0.0000   0.0000  429.425   29.738  ?   ?   251.613   8.7217      ?      ? 
1 1 1   10    5   31 o  585.034   7.1651  2321.57   56.788  2276.93   79.148  2368.93   81.526  579.246   10.083  590.823   10.182 -11.57733 14.33015 
1 1 1   10    5   32 o  630.120   10.804  2695.44   92.253   0.0000   0.0000  2695.44   92.253  ?   ?   630.120   10.804      ?      ? 
1 1 1   10    5   33 o  484.539   6.2259  1592.89   40.878  1616.92   58.026  1569.20   57.596  488.171   8.7714  480.908   8.8379 7.262695 12.45175 
1 1 1   10    5   34 o  289.919   4.6729  568.601   18.336  540.015   25.194  600.793   26.736  282.192   6.5884  297.647   6.6285 -15.45551 9.345810 
1 1 1   10    5   35 o  123.420   4.2711  103.292   7.1368  103.334   9.8838  103.247   10.316  123.448   5.9082  123.392   6.1694 0.5639648E-01 8.542126 
1 1 1   10    5   36 o  527.927   8.0686  1873.22   54.271  1955.12   95.469  1834.12   65.966  536.100   13.141  519.754   9.3657 16.34595 16.13715 
1 1 1   10    5   37 o  233.430   6.2840  369.573   19.878   0.0000   0.0000  369.573   19.878  ?   ?   233.430   6.2840      ?      ? 
1 1 1   10    5   38 o  399.773   7.8470  1084.71   42.511   0.0000   0.0000  1084.71   42.511  ?   ?   399.773   7.8470      ?      ? 
1 1 1   10    5   39 o  547.358   6.8212  2035.66   50.595  2048.29   71.535  2023.02   71.570  549.062   9.6143  545.654   9.6789 3.408142 13.64245 
1 1 1   10    5   40 o  824.731   11.770  4631.12  123.356  4596.01  150.081  4704.25  216.567  821.188   13.487  828.274   19.295 -7.086304 23.54079 
1 1 1   10    5   41 o  441.729   7.2429  1312.30   40.435  1287.15   48.803  1367.35   72.213  435.334   8.2726  448.123   11.891 -12.78946 14.48589 
1 1 1   10    5   42 f  113.891   4.4719   87.754   6.8911   82.052   9.4612   94.198   10.057  109.961   6.3493  117.821   6.2989 -7.859833 8.943702 
1 1 1   10    5   43 o  368.795   6.4743  926.703   30.471  930.831   37.326  918.455   52.758  370.237   7.4395  367.352   10.598 2.885681 12.94854 
1 1 1   10    5   44 o  206.644   4.3551  288.942   12.177  270.600   16.721  309.655   17.769  199.680   6.1794  213.607   6.1386 -13.92642 8.710231 
1 1 1   10    5   45 o  591.761   7.2848  2383.75   58.414  2420.20   83.151  2348.24   82.078  596.230   10.291  587.293   10.313 8.936890 14.56958 
1 1 1   10    5   46 o  223.387   5.4615  343.018   15.633  326.748   26.568  351.636   19.335  219.179   8.9449  227.594   6.2690 -8.415482 10.92295 
1 1 1   10    5   47 o  109.285   4.5738   81.192   6.7553   88.609   9.5996   73.915   9.5080  114.246   6.2005  104.325   6.7254 9.920250 9.147542 
1 1 1   10    5   48 o  113.415   4.5270   87.314   6.9562   85.051   9.7340   89.676   9.9444  111.913   6.4184  114.917   6.3857 -3.003716 9.053915 
1 1 1   10    5   49 o  338.082   5.0979  776.739   23.355  786.758   33.093  766.798   32.965  340.258   7.1770  335.905   7.2419 4.352875 10.19577 
1 1 1   10    5   50 o  102.170   4.7948   70.908   6.6204   64.036   9.2375   78.164   9.4930   97.072   7.0222  107.269   6.5305 -10.19635 9.589561 
1 1 1   10    5   51 o  411.668   5.7026  1152.45   31.804  1189.82   45.505  1116.77   44.469  418.196   8.0297  405.140   8.0997 13.05618 11.40530 
1 1 1   10    5   52 o  368.478   5.3587  923.481   26.757  922.268   37.664  924.717   38.018  368.239   7.5477  368.716   7.6088 -0.4771423 10.71737 
1 1 1   10    5   53 f  228.069   4.5220  353.462   13.975  355.065   19.687  351.833   19.841  228.594   6.3554  227.544   6.4346 1.050797 9.044043 
1 1 1   10    5   54 o   90.099   6.3277   55.801   7.3219   53.811   12.423   56.860   9.0633   88.771   10.327   91.428   7.3152 -2.657188 12.65549 
1 1 1   10    5   55 o  228.978   5.4846  354.736   16.132  363.657   27.791  350.202   19.812  230.973   8.8789  226.983   6.4411 3.989868 10.96915 
1 1 1   10    5   56 o  132.031   4.7125  118.574   8.4255  124.170   11.944  113.031   11.887  135.143   6.5219  128.919   6.8042 6.223343 9.425078 
1 1 1   10    5   57 o  317.060   6.2423  689.993   25.277  699.073   31.063  672.195   43.488  320.521   7.1515  313.599   10.233 6.921906 12.48453 
1 1 1   10    5   58 o   83.899   8.3140   48.208   9.3648   57.482   13.602   39.852   12.912   91.626   10.955   76.172   12.509 15.45407 16.62805 
1 1 1   10    5   59 o  111.948   5.1314   85.475   7.6989  102.543   11.106   69.683   10.682  122.768   6.6755  101.129   7.7949 21.63917 10.26272 
1 1 1   10    5   60 o  267.641   5.8681  491.430   20.098  497.312   24.741  480.017   34.464  270.313   6.7540  264.968   9.5980 5.344269 11.73623 
1 1 1   10    5   61 o  240.649   4.7065  394.217   15.346  402.915   21.778  385.637   21.629  243.294   6.6054  238.004   6.7062 5.290375 9.413006 
1 1 1   10    5   62 o   59.234   9.0987   22.347   6.7558   34.883   12.247   16.864   8.0996   69.923   13.413   48.544   12.298 21.37916 18.19743 
1 1 1   10    5   63 o  266.620   4.8264  484.347   17.435  472.638   24.459  496.445   24.861  263.338   6.8539  269.902   6.7972 -6.563873 9.652866 
1 1 1   10    5   64 o  140.113   4.7605  133.764   9.0357  138.634   12.959  129.156   12.605  142.597   6.7063  137.629   6.7585 4.967484 9.521096 
1 1 1   10    5   65 o  121.000   4.9381   99.839   8.0838  108.144   11.628   92.071   11.246  125.886   6.8164  116.115   7.1468 9.771660 9.876273 
1 1 1   10    5   66 o   87.337   5.7216   52.488   6.7314   46.163   9.5513   58.731   9.4883   82.025   8.5928   92.650   7.5572 -10.62530 11.44324 
1 1 1   10    5   67 o  156.048   4.6742  166.360   9.8828  170.414   14.031  162.369   13.922  157.945   6.5554  154.151   6.6648 3.794327 9.348394 
1 1 1   10    5   68 o   91.239   5.6082   57.131   6.9302   59.833   9.9096   54.543   9.6956   93.365   7.8323   89.113   8.0288 4.252014 11.21630 
1 1 1   10    5   69 o   46.215   8.7401   15.400   5.5754   17.221   8.2434   13.865   7.5692   48.617   12.456   43.812   12.264 4.804535 17.48025 
1 1 1   10    5   70 o  146.205   5.9541  152.956   10.988  131.402   18.605  164.501   13.616  137.456   9.9880  154.954   6.4843 -17.49854 11.90818 
1 1 1   10    5   71 o  117.926   5.0435   95.651   8.0590   95.186   11.465   96.105   11.331  117.628   7.1922  118.224   7.0726 -0.5957870 10.08708 
1 1 1   10    5   72 o  125.761   5.9694  107.442   9.6381  102.900   11.762  116.728   16.816  122.220   7.1013  129.301   9.5972 -7.080917 11.93881 
1 1 1   10    5   73 o   25.111   7.5263  -2.3980   4.9647  -9.9693   7.0706   4.9649   6.9726   19.264   9.2607   30.959   11.867 -11.69489 15.05267 
1 1 1   10    5   74 o  112.368   5.2300   87.583   7.9365   96.463   11.285   78.893   11.164  118.123   7.0499  106.612   7.7273 11.51120 10.46000 
1 1 1   10    5   75 o  103.702   6.4415   74.450   8.6464   71.778   10.669   79.563   14.759  101.550   7.7527  105.853   10.289 -4.302727 12.88301 
1 1 1   10    5   76 o   50.251   9.8095   18.720   6.6143   21.668   11.458   17.247   8.1002   52.739   15.200   47.763   12.404 4.975956 19.61903 
1 1 1   10    5   77 o  103.853   6.4677   74.154   8.6926   84.258   15.027   69.072   10.656  108.438   10.226   99.267   7.9218 9.171478 12.93549 
1 1 1   10    5   78 o   68.485   6.8430   33.557   6.3505   33.859   8.9795   33.255   8.9824   68.811   9.6297   68.159   9.7249 0.6518478 13.68593 
1 1 1   10    5   79 o   37.861   9.0043   10.217   5.5621   7.2751   7.7433   13.352   7.9946   33.874   12.610   41.848   12.857 -7.974667 18.00866 
1 1 1   10    5   80 f   54.597   8.3664   22.767   6.0156   20.387   8.3632   25.318   8.6592   51.402   12.191   57.792   11.462 -6.390053 16.73282 
1 1 1   10    5   81 o   97.036   5.6898   66.952   7.4471   59.835   10.532   74.070   10.532   91.624   8.4820  102.449   7.5863 -10.82498 11.37963 
1 1 1   10    5   82 o   59.351   7.7929   26.490   6.1076   22.802   8.5851   30.268   8.6906   54.252   11.996   64.451   9.9504 -10.19895 15.58574 
1 1 1   10    5   83 o   55.863   9.5137   26.328   7.2510   18.181   12.215   30.761   9.0101   47.038   16.012   64.689   10.278 -17.65082 19.02739 
1 1 1   10    5   84 o   96.946   7.1053   67.093   8.9178   76.534   15.382   62.313   10.945  100.953   11.244   92.940   8.6903 8.013641 14.21052 
1 1 1   10    5   85 o   25.319   8.1223  -4.3642   6.4072 -13.4824   10.080   1.8177   8.2997   22.308   10.805   28.331   12.130 -6.023066 16.24456 
1 1 1   10    5   86 o   46.203   11.213   16.763   8.8324   8.7064   11.611   27.827   13.607   36.932   14.947   55.474   16.718 -18.54182 22.42537 
1 1 1   10    5   87 o   48.222   11.108   19.484   8.9790   9.4301   12.177   31.465   13.293   37.446   15.251   58.998   16.153 -21.55207 22.21543 
1 1 1   10    5   88 o   81.187   9.9356   55.545   10.713   55.570   15.036   55.519   15.267   81.970   13.536   80.404   14.548 1.565536 19.87123 
1 1 1   10    5   89 o   33.191   10.216   4.6786   8.6518   2.0240   12.355   7.2325   12.119   31.597   14.118   34.786   14.769 -3.189356 20.43132 
1 1 1   10    5   90 o   38.500   15.567   12.733   12.581   0.0000   0.0000   12.733   12.581  ?   ?    38.500   15.567      ?      ? 
1 1 1   10    5   91 o   47.219   11.680   23.402   9.4003   17.927   13.021   29.362   13.586   41.948   16.181   52.490   16.849 -10.54198 23.36085 
1 1 1   10    6    0 o  618.940   9.0822  2620.91   72.482  2531.75  122.068  2669.46   90.081  610.574   14.753  627.306   10.597 -16.73132 18.16431 
1 1 1   10    6    1 o  572.235   7.0140  2216.60   54.336  2327.02   78.977  2117.36   74.872  585.738   9.9498  558.732   9.8886 27.00580 14.02792 
1 1 1   10    6    2 o  797.286   9.2310  4312.73   99.713  4403.82  142.808  4226.08  139.290  805.495   13.083  789.078   13.026 16.41718 18.46202 
1 1 1   10    6    3 f  801.648   9.2715  4357.98  100.675  4490.57  145.032  4234.67  139.862  813.401   13.158  789.894   13.066 23.50696 18.54305 
1 1 1   10    6    4 o  470.758   6.0524  1502.49   38.608  1491.39   54.219  1513.91   54.990  468.994   8.5310  472.521   8.5878 -3.526794 12.10489 
1 1 1   10    6    5 o  245.275   4.2830  407.753   14.234  407.252   19.948  408.273   20.315  245.122   6.0054  245.428   6.1083 -0.3054657 8.565928 
1 1 1   10    6    6 o  369.313   5.1793  924.470   25.917  946.627   36.874  902.837   36.435  373.687   7.2815  364.939   7.3675 8.747742 10.35861 
1 1 1   10    6    7 o  647.636   9.0341  2909.59   69.191  2979.71   80.724  2715.42  134.326  662.910   8.9860  632.362   15.675 30.54706 18.06815 
1 1 1   10    6    8 o  491.634   7.2903  1635.90   41.475  1632.84   47.548  1645.65   84.808  490.793   7.1492  492.477   12.708 -1.683929 14.58070 
1 1 1   10    6    9 o  302.423   5.4853  599.580   18.705  583.990   21.086  657.149   40.519  293.544   5.3007  311.302   9.6050 -17.75812 10.97057 
1 1 1   10    6   10 o  625.307   8.7288  2654.79   63.624  2656.71   73.242  2648.86  128.434  625.977   8.6341  624.636   15.173 1.340210 17.45760 
1 1 1   10    6   11 o  514.422   7.5727  1821.44   45.617  1848.61   52.823  1741.73   90.477  522.209   7.4644  506.635   13.178 15.57407 15.14545 
1 1 1   10    6   12 o  673.349   9.2740  3077.21   72.817  3077.87   83.829  3075.18  146.970  673.744   9.1816  672.954   16.116 0.7901001 18.54807 
1 1 1   10    6   13 f  1174.08   15.195  9291.27  207.313  9212.19  237.794  9541.78  423.233  1164.91   15.063  1183.24   26.395 -18.33362 30.39090 
1 1 1   10    6   14 o  648.371   9.0021  2831.93   67.557  2813.39   77.372  2891.44  138.587  644.162   8.8636  652.580   15.671 -8.417786 18.00421 
1 1 1   10    6   15 o  150.190   5.5033  152.879   11.201  152.879   11.201   0.0000   0.0000  150.190   5.5033  ?   ?       ?      ? 
1 1 1   10    6   16 f  641.085   9.3118  2739.58   75.449  2656.47   90.829  2924.58  135.512  625.839   10.710  656.331   15.236 -30.49213 18.62351 
1 1 1   10    6   17 o  970.200   13.456  6419.86  167.301  6465.88  205.941  6330.56  286.899  975.836   15.573  964.564   21.949 11.27209 26.91260 
1 1 1   10    6   18 o  388.635   5.3656  1023.96   28.257  1030.54   39.852  1017.30   40.071  389.893   7.5426  387.377   7.6333 2.516022 10.73115 
1 1 1   10    6   19 o  593.520   7.2214  2389.03   58.079  2416.94   82.443  2361.53   81.834  596.963   10.191  590.078   10.234 6.884460 14.44273 
1 1 1   10    6   20 o  590.264   7.1799  2363.10   57.431  2366.91   81.022  2359.26   81.418  590.743   10.121  589.785   10.187 0.9586182 14.35989 
1 1 1   10    6   21 o  871.145   9.9777  5150.73  117.766  5069.35  164.557  5236.17  168.609  864.101   14.053  878.189   14.168 -14.08807 19.95549 
1 1 1   10    6   22 o  604.171   9.0387  2494.38   69.734  2528.76   85.674  2426.91  120.036  610.561   10.355  597.781   14.818 12.77979 18.07739 
1 1 1   10    6   23 o  598.388   8.9502  2412.22   67.780  2380.04   82.012  2481.57  120.393  592.326   10.217  604.450   14.698 -12.12366 17.90035 
1 1 1   10    6   24 o  466.033   6.0503  1472.32   38.202  1514.70   54.578  1431.61   53.490  472.608   8.5218  459.459   8.5910 13.14902 12.10067 
1 1 1   10    6   25 o  1232.93   13.795 10349.06  230.481 10355.25  325.865 10342.85  326.035  1233.30   19.498  1232.56   19.520 0.7451172 27.58953 
1 1 1   10    6   26 o  686.055   8.1246  3194.06   75.524  3154.85  105.756  3234.88  107.889  681.763   11.447  690.347   11.533 -8.583801 16.24910 
1 1 1   10    6   27 o  886.558   10.149  5340.41  121.922  5304.05  171.434  5377.63  173.429  883.510   14.319  889.606   14.386 -6.095337 20.29740 
1 1 1   10    6   28 o  402.186   5.5107  1096.59   30.026  1132.74   42.858  1061.75   42.079  408.695   7.7384  395.677   7.8478 13.01874 11.02137 
1 1 1   10    6   29 o  496.565   12.713  1674.92   85.545  1674.92   85.545   0.0000   0.0000  496.565   12.713  ?   ?       ?      ? 
1 1 1   10    6   30 o  295.235   5.9331  607.698   22.495  536.597   37.224  648.605   28.235  281.192   9.7686  309.278   6.7367 -28.08643 11.86630 
1 1 1   10    6   31 o  440.590   5.8435  1315.82   34.873  1281.43   48.421  1352.88   50.266  434.617   8.2213  446.563   8.3063 -11.94565 11.68695 
1 1 1   10    6   32 o  468.661   7.4624  1511.68   45.240  1421.51   75.098  1563.04   56.679  457.381   12.116  479.940   8.7147 -22.55969 14.92479 
1 1 1   10    6   33 o  227.862   5.3017  357.413   15.695  333.253   25.742  371.708   19.801  221.601   8.5720  234.124   6.2411 -12.52237 10.60330 
1 1 1   10    6   34 o  595.381   10.249  2413.48   82.689  2429.09  117.086  2397.95  116.794  597.308   14.465  593.455   14.523 3.852783 20.49759 
1 1 1   10    6   35 o  404.673   5.5851  1109.55   30.597  1073.26   42.132  1150.05   44.507  397.688   7.8178  411.657   7.9784 -13.96902 11.17014 
1 1 1   10    6   36 o  341.447   5.0667  791.100   23.437  816.613   33.249  765.906   33.041  346.925   7.0723  335.970   7.2573 10.95575 10.13341 
1 1 1   10    6   37 o  255.731   4.5144  443.770   15.639  449.109   21.911  438.225   22.329  257.304   6.2840  254.158   6.4831 3.146591 9.028778 
1 1 1   10    6   38 o  207.815   4.3013  293.140   12.106  301.151   16.998  284.894   17.246  210.703   5.9530  204.927   6.2101 5.776215 8.602534 
1 1 1   10    6   39 o  161.190   5.1260  174.612   10.522  171.341   12.790  181.464   18.511  158.925   5.9387  163.456   8.3568 -4.530960 10.25202 
1 1 1   10    6   40 o  675.105   9.8943  3115.49   85.334  3126.02  104.634  3094.57  147.460  677.622   11.395  672.587   16.179 5.034973 19.78860 
1 1 1   10    6   41 o  256.833   5.6672  450.215   18.339  453.971   22.224  442.200   32.468  258.640   6.3408  255.026   9.3949 3.614334 11.33445 
1 1 1   10    6   42 o  175.957   4.2702  209.772   10.170  203.700   13.981  216.596   14.822  173.260   5.9547  178.653   6.1221 -5.392563 8.540448 
1 1 1   10    6   43 o  340.670   5.0943  788.278   23.514  800.002   33.153  776.410   33.357  343.228   7.1278  338.113   7.2801 5.115082 10.18852 
1 1 1   10    6   44 o  336.026   5.0664  766.889   23.068  765.831   32.366  767.981   32.886  335.797   7.1126  336.256   7.2171 -0.4593201 10.13290 
1 1 1   10    6   45 o  169.639   4.3045  195.443   9.8903  199.872   13.877  190.871   14.100  171.600   5.9676  167.679   6.2050 3.920303 8.608979 
1 1 1   10    6   46 o  361.455   6.4442  877.601   29.665  922.590   52.305  856.268   36.018  367.941   10.490  354.969   7.4877 12.97156 12.88831 
1 1 1   10    6   47 o  121.777   5.5810  100.704   8.7514  101.227   14.931  100.430   10.801  121.953   9.0346  121.602   6.5547 0.3511124 11.16192 
1 1 1   10    6   48 o  341.162   5.1468  790.989   23.789  814.202   33.828  768.276   33.462  346.123   7.2120  336.201   7.3446 9.922272 10.29353 
1 1 1   10    6   49 o  188.313   4.4015  241.004   11.216  256.790   15.914  225.419   15.811  194.458   6.0390  182.168   6.4050 12.29008 8.803017 
1 1 1   10    6   50 o  300.637   4.8881  614.185   19.912  607.190   27.901  621.445   28.426  298.896   6.8885  302.378   6.9371 -3.481720 9.776206 
1 1 1   10    6   51 o  327.709   6.1579  723.333   25.820  755.822   45.042  707.432   31.510  332.865   9.9855  322.553   7.2089 10.31195 12.31580 
1 1 1   10    6   52 f  122.779   5.5645  100.300   8.8490  110.272   15.208   95.196   10.880  127.220   8.8214  118.338   6.7849 8.882713 11.12891 
1 1 1   10    6   53 o  241.676   5.7760  405.993   17.734  423.055   21.857  373.115   30.341  249.486   6.4649  233.866   9.5736 15.62068 11.55196 
1 1 1   10    6   54 o  138.501   6.6255  130.945   12.401  143.671   17.689  118.646   17.389  145.160   8.9922  131.842   9.7329 13.31773 13.25101 
1 1 1   10    6   55 o  217.085   4.6388  320.344   13.644  327.911   19.460  313.027   19.136  219.608   6.5391  214.561   6.5815 5.046982 9.277676 
1 1 1   10    6   56 o   84.062   5.7602   48.358   6.5012   40.502   9.1264   56.451   9.2632   77.065   8.7390   91.059   7.5068 -13.99409 11.52049 
1 1 1   10    6   57 o  299.991   6.9730  612.408   28.347  612.408   28.347   0.0000   0.0000  299.991   6.9730  ?   ?       ?      ? 
1 1 1   10    6   58 o   68.118   9.1790   31.687   8.4730   31.687   8.4730   0.0000   0.0000   68.118   9.1790  ?   ?       ?      ? 
1 1 1   10    6   59 o  250.627   4.7315  427.170   16.063  411.453   22.379  443.873   23.070  245.871   6.7166  255.383   6.6660 -9.511658 9.463012 
1 1 1   10    6   60 f  194.507   4.6102  257.313   12.143  244.028   16.938  271.362   17.419  189.335   6.6015  199.680   6.4372 -10.34512 9.220447 
1 1 1   10    6   61 o  153.283   4.6912  159.988   9.7400  153.421   13.675  166.749   13.876  150.081   6.7239  156.486   6.5435 -6.405029 9.382328 
1 1 1   10    6   62 o  150.033   4.7691  153.118   9.6768  167.436   13.990  139.984   13.399  156.765   6.5854  143.301   6.9001 13.46460 9.538280 
1 1 1   10    6   63 o  195.467   5.6545  257.840   14.115  271.285   24.747  251.358   17.183  198.917   9.1806  192.017   6.6037 6.900375 11.30894 
1 1 1   10    6   64 o   89.586   5.6788   54.958   6.8900   53.597   9.8310   56.273   9.6591   88.476   8.1996   90.696   7.8590 -2.220383 11.35767 
1 1 1   10    6   65 o  188.909   4.6494  243.600   11.902  245.633   16.906  241.602   16.759  189.690   6.5767  188.128   6.5737 1.562302 9.298717 
1 1 1   10    6   66 o   56.778   8.0516   23.485   6.0485   15.075   8.6381   31.575   8.4721   45.845   13.193   67.710   9.2332 -21.86531 16.10320 
1 1 1   10    6   67 o   52.845   9.8723   18.273   6.8663   28.022   12.283   13.843   8.2809   61.690   14.868   44.000   12.992 17.68970 19.74456 
1 1 1   10    6   68 o  117.915   6.5716  102.177   9.6059   79.217   16.237  114.541   11.915  106.526   11.248  129.305   6.7996 -22.77908 13.14322 
1 1 1   10    6   69 o  223.065   4.7321  341.163   14.304  336.483   20.171  345.897   20.286  221.515   6.7196  224.615   6.6647 -3.099304 9.464149 
1 1 1   10    6   70 o  125.935   5.0227  108.998   8.5685  112.928   12.295  105.287   11.948  128.147   7.0800  123.723   7.1263 4.423363 10.04539 
1 1 1   10    6   71 o  227.418   4.7804  355.698   14.731  361.728   20.966  349.818   20.703  229.329   6.7464  225.508   6.7746 3.821198 9.560857 
1 1 1   10    6   72 o   43.529   9.3505   9.9044   6.4464   2.0364   7.9277   25.259   11.075   29.199   12.140   57.858   14.225 -28.65948 18.70104 
1 1 1   10    6   73 o  132.515   7.0543  121.406   12.668  121.406   12.668   0.0000   0.0000  132.515   7.0543  ?   ?       ?      ? 
1 1 1   10    6   74 o  130.336   4.9942  117.711   8.7925  130.319   12.591  105.711   12.284  137.266   6.7686  123.406   7.3454 13.86034 9.988482 
1 1 1   10    6   75 o   72.945   6.6472   37.780   6.4717   30.052   9.0073   46.026   9.3048   64.916   10.239   80.974   8.4796 -16.05865 13.29446 
1 1 1   10    6   76 o   63.339   7.1847   28.956   6.0123   25.722   8.2729   32.575   8.7527   59.012   10.741   67.665   9.5453 -8.653702 14.36943 
1 1 1   10    6   77 o   68.785   8.7761   38.302   7.3996   26.438   12.130   45.334   9.3386   57.521   15.296   80.049   8.6088 -22.52779 17.55221 
1 1 1   10    6   78 o   39.200   9.9124   10.588   6.4395   12.216   10.881   9.7108   7.9889   41.368   15.024   37.032   12.935 4.335743 19.82480 
1 1 1   10    6   79 o  104.137   5.4892   76.538   7.7132   67.915   10.794   85.536   11.026   97.938   8.1329  110.335   7.3743 -12.39665 10.97837 
1 1 1   10    6   80 o  133.922   7.1249  125.959   12.930   0.0000   0.0000  125.959   12.930  ?   ?   133.922   7.1249      ?      ? 
1 1 1   10    6   81 o   35.628   9.4810   8.2549   6.4889   1.9188   10.884   11.749   8.0825   31.933   13.784   39.324   13.022 -7.391243 18.96200 
1 1 1   10    6   82 o   46.739   10.170   17.135   6.9027   20.674   11.293   15.024   8.7218   49.951   15.269   43.528   13.438 6.422123 20.34026 
1 1 1   10    6   83 o   46.432   9.7345   18.483   7.0961   8.7354   11.957   23.782   8.8166   37.819   15.216   55.046   12.145 -17.22715 19.46906 
1 1 1   10    6   84 o   96.686   7.2171   68.570   8.9401   71.896   15.439   66.892   10.966   97.074   11.736   96.298   8.4031 0.7764282 14.43422 
1 1 1   10    6   85 o   36.514   10.593   7.9398   8.3910   8.8060   11.545   6.9700   12.216   37.017   14.932   36.011   15.029 1.006069 21.18561 
1 1 1   10    6   86 o   28.887   13.217  -2.8326   11.616  -2.8326   11.616   0.0000   0.0000   28.887   13.217  ?   ?       ?      ? 
1 1 1   10    6   87 o   96.433   12.282   74.301   16.050   74.301   16.050   0.0000   0.0000   96.433   12.282  ?   ?       ?      ? 
1 1 1   10    6   88 o   50.696   11.373   24.414   9.2605   15.839   13.055   33.098   13.138   41.958   16.197   59.434   15.971 -17.47623 22.74693 
1 1 1   10    6   89 o   26.206   8.6630  -8.2937   8.0478   3.1280   11.371 -19.7565   11.392   31.077   13.734   21.334   10.563 9.742895 17.32610 
1 1 1   10    6   90 o   58.666   17.009   35.990   14.310   0.0000   0.0000   35.990   14.310  ?   ?    58.666   17.009      ?      ? 
1 1 1   10    7    0 o  286.385   5.7735  552.806   20.901  564.968   37.154  547.175   25.281  288.648   9.4985  284.123   6.5661 4.524445 11.54704 
1 1 1   10    7    1 o  431.983   5.7509  1264.71   33.659  1298.98   48.058  1231.71   47.158  437.727   8.1018  426.240   8.1642 11.48676 11.50189 
1 1 1   10    7    2 o  485.587   6.2173  1598.74   40.911  1604.81   57.776  1592.64   57.939  486.512   8.7634  484.662   8.8216 1.850403 12.43454 
1 1 1   10    7    3 o  1021.63   11.547  7087.63  159.858  7142.00  226.939  7034.09  225.217  1025.52   16.330  1017.74   16.330 7.776794 23.09386 
1 1 1   10    7    4 o  688.647   8.1487  3214.64   76.018  3308.54  109.241  3126.48  105.851  698.390   11.543  678.905   11.505 19.48444 16.29749 
1 1 1   10    7    5 o  985.360   11.164  6589.13  149.023  6456.44  207.669  6730.00  213.973  975.147   15.715  995.572   15.860 -20.42566 22.32722 
1 1 1   10    7    6 o  332.819   9.6350  751.117   43.455   0.0000   0.0000  751.117   43.455  ?   ?   332.819   9.6350      ?      ? 
1 1 1   10    7    7 o  274.560   5.4738  519.035   19.362  538.315   24.163  484.451   32.362  281.818   6.3270  267.303   8.9341 14.51553 10.94759 
1 1 1   10    7    8 o  617.348   8.5629  2583.92   71.637  2583.92   71.637   0.0000   0.0000  617.348   8.5629  ?   ?       ?      ? 
1 1 1   10    7    9 f  359.320   5.8638  875.069   28.552  875.069   28.552   0.0000   0.0000  359.320   5.8638  ?   ?       ?      ? 
1 1 1   10    7   10 f  253.969   5.3672  443.967   15.321  449.425   17.411  425.233   32.254  257.517   4.9892  250.421   9.5046 7.096497 10.73444 
1 1 1   10    7   11 o  913.041   12.077  5673.79  129.079  5684.84  148.955  5640.48  258.644  915.406   12.008  910.676   20.958 4.730469 24.15441 
1 1 1   10    7   12 o  780.150   10.504  4091.25   94.926  4054.21  108.696  4210.29  194.860  773.166   10.374  787.134   18.268 -13.96741 21.00825 
1 1 1   10    7   13 o  390.287   6.3883  1048.96   28.853  1064.29   33.220  1001.86   58.220  396.260   6.1864  384.314   11.179 11.94598 12.77653 
1 1 1   10    7   14 o  498.191   7.3693  1649.79   42.040  1621.54   47.795  1746.35   88.366  489.085   7.2113  507.298   12.854 -18.21286 14.73868 
1 1 1   10    7   15 o  430.946   6.7114  1250.65   33.280  1242.93   38.016  1276.00   68.851  428.212   6.5513  433.681   11.715 -5.468994 13.42280 
1 1 1   10    7   16 o  448.394   6.9003  1357.09   35.666  1351.31   40.794  1375.87   73.480  446.483   6.7423  450.305   12.041 -3.822662 13.80057 
1 1 1   10    7   17 o  929.408   12.280  5880.64  133.594  5890.51  154.156  5850.87  267.733  931.692   12.210  927.124   21.310 4.568054 24.55990 
1 1 1   10    7   18 o  746.359   8.7185  3780.25   88.177  3757.30  124.018  3803.71  125.395  744.072   12.299  748.647   12.360 -4.574890 17.43697 
1 1 1   10    7   19 o  387.831   5.3831  1019.48   28.285  1005.55   39.492  1034.16   40.530  385.113   7.5673  390.550   7.6581 -5.436462 10.76615 
1 1 1   10    7   20 o  751.245   8.7760  3829.99   89.334  3893.50  127.413  3768.58  125.287  757.369   12.414  745.120   12.408 12.24841 17.55195 
1 1 1   10    7   21 o  729.743   10.535  3585.71   97.262  3529.41  117.592  3707.63  173.052  721.096   12.034  738.389   17.295 -17.29266 21.06925 
1 1 1   10    7   22 o  345.661   6.3083  808.458   27.498  805.133   33.239  815.670   48.945  344.601   7.1179  346.721   10.417 -2.119598 12.61657 
1 1 1   10    7   23 o  410.986   5.5987  1145.48   31.180  1154.96   44.056  1135.96   44.136  412.693   7.8776  409.279   7.9577 3.413574 11.19739 
1 1 1   10    7   24 o  538.384   6.7173  1966.09   49.003  2002.93   69.799  1930.29   68.813  543.357   9.4795  533.410   9.5198 9.947083 13.43455 
1 1 1   10    7   25 o  722.757   8.4977  3546.46   83.225  3593.19  118.405  3500.82  117.004  727.463   12.011  718.050   12.024 9.412659 16.99550 
1 1 1   10    7   26 f  272.229   4.5883  502.433   16.922  501.212   23.658  503.713   24.215  271.892   6.4209  272.566   6.5560 -0.6738892 9.176534 
1 1 1   10    7   27 o  302.145   5.7435  615.732   22.404  630.688   38.196  607.888   27.661  304.878   9.2451  299.412   6.8174 5.465515 11.48692 
1 1 1   10    7   28 o  1016.64   14.106  6967.74  181.636  7289.50  323.249  6819.28  219.579  1032.38   23.106  1000.90   16.189 31.47412 28.21251 
1 1 1   10    7   29 o  144.992   5.4539  135.876   10.021  161.502   18.292  124.888   11.978  154.275   8.7496  135.709   6.5134 18.56628 10.90780 
1 1 1   10    7   30 o  630.520   7.6177  2700.14   65.088  2708.48   91.977  2691.77   92.119  631.499   10.748  629.541   10.798 1.957520 15.23531 
1 1 1   10    7   31 o  302.552   4.7960  620.241   19.652  602.815   27.232  639.179   28.389  298.124   6.7406  306.980   6.8243 -8.856384 9.592012 
1 1 1   10    7   32 o  580.615   7.1414  2289.23   56.182  2338.45   80.104  2241.58   78.819  586.759   10.074  574.471   10.125 12.28790 14.28276 
1 1 1   10    7   33 o  286.789   6.7432  557.943   26.207   0.0000   0.0000  557.943   26.207  ?   ?   286.789   6.7432      ?      ? 
1 1 1   10    7   34 o  175.613   6.2439  209.190   14.859   0.0000   0.0000  209.190   14.859  ?   ?   175.613   6.2439      ?      ? 
1 1 1   10    7   35 o  522.302   8.0509  1823.88   53.142  1770.21   63.991  1943.17   95.395  510.477   9.2503  534.127   13.180 -23.65045 16.10180 
1 1 1   10    7   36 o  223.842   8.7721  340.344   26.609   0.0000   0.0000  340.344   26.609  ?   ?   223.842   8.7721      ?      ? 
1 1 1   10    7   37 f  609.158   7.4653  2523.76   61.623  2558.89   87.598  2489.34   86.703  613.358   10.539  604.958   10.576 8.400391 14.93069 
1 1 1   10    7   38 o  122.590   6.0746  101.917   10.075   98.986   13.791  105.272   14.755  120.709   8.4308  124.470   8.7477 -3.761238 12.14913 
1 1 1   10    7   39 o  233.708   5.4271  375.642   16.164  385.279   19.883  356.864   27.755  238.280   6.1577  229.136   8.9384 9.143768 10.85415 
1 1 1   10    7   40 o  232.200   4.4461  365.897   13.979  365.231   19.381  366.618   20.182  231.987   6.1651  232.412   6.4081 -0.4253082 8.892253 
1 1 1   10    7   41 o  395.452   6.8192  1049.18   33.891  1025.32   40.675  1103.35   61.288  388.492   7.7262  402.412   11.239 -13.92059 13.63840 
1 1 1   10    7   42 f  144.664   5.4233  135.715   9.7295  127.001   11.457  158.250   18.425  136.786   6.1809  152.543   8.9131 -15.75711 10.84654 
1 1 1   10    7   43 o  422.131   5.7675  1211.21   32.988  1240.03   46.909  1183.02   46.400  427.107   8.1047  417.156   8.2081 9.950867 11.53507 
1 1 1   10    7   44 o  303.313   4.8719  624.813   20.022  620.558   28.020  629.253   28.620  302.263   6.8407  304.363   6.9389 -2.099579 9.743879 
1 1 1   10    7   45 o  262.880   4.6438  469.398   16.538  471.598   23.155  467.107   23.630  263.517   6.4841  262.243   6.6494 1.273346 9.287522 
1 1 1   10    7   46 o  568.705   7.0891  2203.28   54.622  2263.48   78.106  2145.65   76.416  576.314   10.001  561.096   10.050 15.21765 14.17825 
1 1 1   10    7   47 o  504.354   8.0038  1740.45   51.704  1726.24   88.843  1747.73   63.580  502.149   13.056  506.559   9.2621 -4.409973 16.00761 
1 1 1   10    7   48 o  182.876   5.5733  233.847   13.017  207.451   21.811  248.449   16.222  174.503   9.2233  191.249   6.2594 -16.74568 11.14668 
1 1 1   10    7   49 o  299.899   6.9928  613.021   28.401  603.335   39.364  623.540   41.018  297.453   9.7656  302.344   10.011 -4.890747 13.98550 
1 1 1   10    7   50 o  148.193   6.5648  149.775   13.173  151.758   18.332  147.657   18.940  149.228   9.0653  147.157   9.4978 2.071213 13.12967 
1 1 1   10    7   51 o  236.544   4.6419  380.303   14.878  388.797   21.119  371.934   20.962  239.171   6.5159  233.916   6.6129 5.255173 9.283748 
1 1 1   10    7   52 o  194.879   6.4105  258.135   16.929   0.0000   0.0000  258.135   16.929  ?   ?   194.879   6.4105      ?      ? 
1 1 1   10    7   53 o  157.001   4.5988  167.546   9.7808  166.391   13.631  168.772   14.043  156.449   6.4294  157.552   6.5772 -1.103577 9.197664 
1 1 1   10    7   54 o  175.802   5.5799  208.931   12.489  205.981   15.196  215.071   21.924  174.055   6.4427  177.549   9.1123 -3.493164 11.15982 
1 1 1   10    7   55 o  174.920   5.5664  209.040   12.396  210.226   15.156  206.643   21.545  175.835   6.3606  174.006   9.1370 1.828842 11.13289 
1 1 1   10    7   56 o   64.150   7.2904   28.843   6.0226   20.667   8.3316   37.791   8.7160   53.870   11.744   74.429   8.6415 -20.55926 14.58083 
1 1 1   10    7   57 o  277.752   4.8658  525.035   18.308  544.345   26.062  506.220   25.725  282.808   6.8003  272.696   6.9613 10.11240 9.731617 
1 1 1   10    7   58 o  183.446   5.7903  232.313   13.405  237.301   16.328  222.002   23.477  186.742   6.4521  180.151   9.6166 6.590591 11.58055 
1 1 1   10    7   59 o  108.977   5.3147   81.202   7.7919   93.496   11.120   69.343   10.922  117.149   7.0045  100.805   7.9950 16.34352 10.62939 
1 1 1   10    7   60 f  159.756   4.6811  173.855   10.127  165.355   14.242  182.548   14.403  155.790   6.7461  163.722   6.4916 -7.931931 9.362216 
1 1 1   10    7   61 o  135.088   4.8359  124.503   8.8413  117.013   12.483  132.043   12.524  130.984   7.0324  139.192   6.6399 -8.207108 9.671744 
1 1 1   10    7   62 o  189.070   4.6465  243.568   11.895  257.875   17.055  230.018   16.599  194.490   6.4711  183.650   6.6695 10.83992 9.292907 
1 1 1   10    7   63 o   52.493   9.9974   19.147   6.8579   22.042   12.396   17.870   8.2324   55.201   15.780   49.785   12.279 5.415558 19.99484 
1 1 1   10    7   64 o  131.181   6.0961  114.908   10.083  127.050   18.310  109.624   12.079  135.728   9.9551  126.634   7.0390 9.094872 12.19229 
1 1 1   10    7   65 o   91.975   8.1213   66.855   8.4742   41.901   14.459   79.911   10.459   75.900   14.588  108.049   7.1429 -32.14951 16.24265 
1 1 1   10    7   66 o  302.417   5.0771  626.643   20.805  637.640   29.663  615.996   29.187  305.030   7.1762  299.804   7.1840 5.225464 10.15424 
1 1 1   10    7   67 o  133.896   4.9314  123.039   8.9196  110.922   12.514  135.553   12.717  127.121   7.2642  140.670   6.6713 -13.54884 9.862772 
1 1 1   10    7   68 o   52.904   8.0375   20.870   5.9256   9.2093   8.4861   31.966   8.2778   37.873   13.325   67.934   8.9917 -30.06157 16.07498 
1 1 1   10    7   69 o  125.755   5.0172  108.845   8.5463  105.556   12.113  112.105   12.060  123.830   7.2183  127.681   6.9701 -3.851219 10.03430 
1 1 1   10    7   70 o  114.881   6.1933   88.641   9.2051   81.881   11.260  102.261   15.983  108.854   7.6333  120.907   9.7549 -12.05198 12.38651 
1 1 1   10    7   71 o   91.122   5.7939   57.713   7.1434   61.715   10.153   53.791   10.053   94.319   7.9432   87.924   8.4370 6.394272 11.58781 
1 1 1   10    7   72 o   39.746   8.4437   10.283   5.5462   19.006   8.0133   2.2630   7.6840   50.549   11.896   28.943   11.986 21.60502 16.88733 
1 1 1   10    7   73 o   37.235   9.2596   4.8566   6.1842  -2.0682   7.5734   18.714   10.713   24.966   11.112   49.505   14.815 -24.53900 18.51911 
1 1 1   10    7   74 o  115.963   6.3629   93.134   9.4073   89.821   11.424  100.111   16.580  113.553   7.4243  118.373   10.336 -4.820450 12.72580 
1 1 1   10    7   75 o   64.294   7.0207   29.546   6.1167   29.650   8.6969   29.445   8.6046   64.393   9.9665   64.196   9.8910 0.1968765 14.04147 
1 1 1   10    7   76 o   47.399   8.7954   17.203   5.7397   15.248   8.0284   19.247   8.2091   44.616   12.680   50.182   12.192 -5.566235 17.59079 
1 1 1   10    7   77 o  109.646   5.2886   84.478   7.8494   87.072   10.971   81.757   11.235  111.482   7.2618  107.810   7.6904 3.671326 10.57713 
1 1 1   10    7   78 o   35.268   12.766   8.4680   7.8461   0.0000   0.0000   8.4680   7.8461  ?   ?    35.268   12.766      ?      ? 
1 1 1   10    7   79 o   29.434   8.5554   0.8218   6.3125 -11.9642   10.293   8.5289   7.9917   23.535   11.277   35.333   12.869 -11.79813 17.11085 
1 1 1   10    7   80 o   44.857   9.5596   16.419   6.7017   8.9113   10.639   21.357   8.6287   37.443   14.575   52.271   12.373 -14.82891 19.11922 
1 1 1   10    7   81 o   90.556   7.3021   61.440   8.4740   56.143   14.068   64.457   10.616   86.139   12.052   94.972   8.2487 -8.833107 14.60413 
1 1 1   10    7   82 o   48.062   10.417   18.640   7.1779   20.889   12.214   17.453   8.8717   49.622   15.981   46.502   13.367 3.120754 20.83435 
1 1 1   10    7   83 o   60.417   11.216   31.545   9.3970   26.293   13.204   36.934   13.376   54.664   16.468   66.170   15.233 -11.50604 22.43240 
1 1 1   10    7   84 o   43.092   11.094   14.643   8.7923   21.667   12.454   7.6617   12.415   49.535   16.152   36.649   15.211 12.88521 22.18712 
1 1 1   10    7   85 o   33.261   10.155   4.0481   8.3627   4.6455   11.765   3.4381   11.889   33.620   14.419   32.901   14.304 0.7192650 20.31039 
1 1 1   10    7   86 o   49.494   11.623   22.790   9.2061   27.322   13.280   18.597   12.774   53.828   16.575   45.161   16.298 8.667625 23.24550 
1 1 1   10    7   87 o   45.956   16.440   20.219   12.970   20.219   12.970   0.0000   0.0000   45.956   16.440  ?   ?       ?      ? 
1 1 1   10    7   88 o   44.187   11.280   17.910   9.2548   8.5971   12.779   28.185   13.422   35.591   15.140   52.783   16.727 -17.19164 22.56096 
1 1 1   10    7   89 o   55.818   11.270   31.919   9.7782   19.006   13.856   44.731   13.801   42.807   16.642   68.828   15.203 -26.02053 22.54047 
1 1 1   10    8    0 o  477.276   6.1781  1544.03   39.952  1582.76   56.998  1506.62   56.016  483.160   8.7053  471.393   8.7689 11.76740 12.35617 
1 1 1   10    8    1 o  969.081   11.005  6375.76  144.518  6445.27  205.611  6307.90  203.170  974.300   15.573  963.863   15.555 10.43634 22.01060 
1 1 1   10    8    2 o  448.588   5.9221  1364.32   35.998  1366.23   50.662  1362.38   51.161  448.906   8.3280  448.270   8.4220 0.6357422 11.84425 
1 1 1   10    8    3 o  431.627   5.7710  1263.03   33.753  1283.68   47.860  1242.59   47.609  435.138   8.1164  428.116   8.2062 7.022278 11.54198 
1 1 1   10    8    4 o  475.889   7.6232  1547.07   46.430  1502.19   79.526  1570.28   57.188  470.533   12.472  481.244   8.7692 -10.71115 15.24634 
1 1 1   10    8    5 o  518.235   8.0631  1815.16   53.182  1841.19   93.132  1802.56   64.784  520.881   13.194  515.589   9.2722 5.292114 16.12630 
1 1 1   10    8    6 o  381.240   6.6473  984.459   32.280  988.889   56.307  982.290   39.397  381.827   10.882  380.654   7.6374 1.173523 13.29469 
1 1 1   10    8    7 o  619.322   9.2247  2604.38   72.938  2598.50  126.424  2607.31   89.298  618.636   15.080  620.008   10.628 -1.371216 18.44932 
1 1 1   10    8    8 o  701.326   8.3051  3332.46   78.878  3473.75  114.047  3202.89  109.211  715.557   11.761  687.096   11.729 28.46155 16.61028 
1 1 1   10    8    9 f  354.513   5.9912  807.631   23.796  775.578   26.679  932.340   52.624  338.272   5.8200  370.753   10.474 -32.48062 11.98241 
1 1 1   10    8   10 o  638.132   8.9070  2724.53   65.504  2690.31   74.767  2837.53  135.871  629.887   8.7592  646.377   15.512 -16.48975 17.81393 
1 1 1   10    8   11 o  561.180   8.0816  2137.67   52.710  2138.67   60.590  2134.55  106.886  561.640   7.9609  560.721   14.067 0.9191284 16.16313 
1 1 1   10    8   12 o  319.547   5.7462  681.483   20.874  672.625   23.681  712.345   44.202  315.022   5.5472  324.072   10.065 -9.049835 11.49247 
1 1 1   10    8   13 o  329.212   5.8963  745.143   22.299  754.466   25.573  715.574   45.543  333.633   5.6564  324.790   10.348 8.843109 11.79270 
1 1 1   10    8   14 o  457.567   6.9983  1404.98   36.820  1391.73   42.013  1448.86   76.450  453.094   6.8425  462.039   12.210 -8.945557 13.99662 
1 1 1   10    8   15 o  411.678   6.5643  1134.56   30.955  1121.85   35.247  1177.44   64.726  406.807   6.3938  416.549   11.467 -9.741821 13.12867 
1 1 1   10    8   16 o  342.063   6.3507  804.639   27.511  825.795   33.647  761.969   47.784  349.003   7.1143  335.124   10.522 13.87869 12.70140 
1 1 1   10    8   17 o  296.619   5.9982  603.692   22.403  616.172   27.221  577.489   39.443  301.477   6.6629  291.761   9.9760 9.716614 11.99641 
1 1 1   10    8   18 o  508.069   8.0034  1760.47   51.713  1776.93   63.207  1727.13   89.933  511.829   9.1129  504.310   13.160 7.518677 16.00681 
1 1 1   10    8   19 o  847.478   12.017  4881.66  129.634  4874.46  158.173  4896.40  226.248  847.091   13.779  847.865   19.691 -0.7738037 24.03353 
1 1 1   10    8   20 o  320.065   5.8238  692.532   21.386  690.576   24.418  698.975   44.311  319.178   5.6454  320.953   10.188 -1.774719 11.64760 
1 1 1   10    8   21 o  490.468   6.2991  1630.68   41.851  1592.15   58.193  1671.95   60.231  484.474   8.8637  496.461   8.9527 -11.98712 12.59827 
1 1 1   10    8   22 o  304.100   5.7585  624.408   22.590  636.373   38.532  618.141   27.885  306.264   9.2842  301.936   6.8152 4.328033 11.51708 
1 1 1   10    8   23 o  475.057   7.4922  1534.97   45.774  1522.06   78.043  1541.74   56.516  473.396   12.165  476.719   8.7484 -3.323425 14.98440 
1 1 1   10    8   24 o  394.022   6.6509  1056.63   33.787  1043.41   57.244  1063.70   41.855  392.031   10.775  396.012   7.7993 -3.981140 13.30173 
1 1 1   10    8   25 o  138.233   4.3698  129.736   8.1708  132.991   11.308  126.180   11.819  140.053   5.9582  136.413   6.3938 3.640198 8.739565 
1 1 1   10    8   26 o  130.714   4.3607  115.811   7.7159  114.923   10.647  116.794   11.198  130.189   6.0347  131.240   6.2965 -1.051071 8.721457 
1 1 1   10    8   27 o  517.695   8.0625  1820.19   53.360  1822.92   92.316  1818.82   65.390  517.753   13.157  517.636   9.3219 0.1176147 16.12500 
1 1 1   10    8   28 o  407.490   6.8909  1129.10   35.943  1122.55   61.917  1132.43   44.141  406.454   11.241  408.526   7.9734 -2.071930 13.78187 
1 1 1   10    8   29 o  252.708   5.5286  424.750   17.835  458.682   31.495  408.732   21.639  259.933   8.9414  245.483   6.5049 14.45023 11.05722 
1 1 1   10    8   30 o  175.695   4.2673  209.333   10.150  208.880   14.040  209.828   14.691  175.500   5.9033  175.890   6.1636 -0.3907471 8.534580 
1 1 1   10    8   31 o  428.755   7.0253  1248.11   38.487  1246.33   47.131  1251.67   66.678  428.492   8.1168  429.018   11.469 -0.5264282 14.05058 
1 1 1   10    8   32 o  440.306   7.1874  1331.39   40.631  1362.15   50.328  1273.81   68.854  447.912   8.2916  432.700   11.742 15.21152 14.37486 
1 1 1   10    8   33 o   62.063   6.1083   26.155   5.1100   26.102   6.8780   26.220   7.6344   62.001   8.1862   62.126   9.0681 -0.1256104 12.21658 
1 1 1   10    8   34 o  265.020   4.5939  476.740   16.492  484.964   23.149  468.262   23.503  267.348   6.3895  262.692   6.6023 4.656342 9.187827 
1 1 1   10    8   35 o  420.803   5.7336  1202.66   32.692  1227.47   46.351  1178.09   46.116  425.130   8.0455  416.475   8.1711 8.655487 11.46726 
1 1 1   10    8   36 o  218.977   4.3867  324.349   12.996  306.432   17.782  344.893   19.041  212.507   6.1748  225.446   6.2324 -12.93890 8.773364 
1 1 1   10    8   37 o  208.463   4.3497  294.293   12.273  282.612   16.862  307.453   17.898  204.076   6.0973  212.850   6.2052 -8.774582 8.699488 
1 1 1   10    8   38 o  233.935   4.4733  371.386   14.172  369.999   19.677  372.880   20.428  233.488   6.2188  234.382   6.4316 -0.8939056 8.946514 
1 1 1   10    8   39 o  432.666   5.8550  1272.00   34.319  1314.60   48.935  1230.76   48.145  439.805   8.2107  425.527   8.3490 14.27780 11.70991 
1 1 1   10    8   40 o  477.462   6.2442  1550.06   40.394  1592.72   57.546  1508.63   56.714  483.948   8.7747  470.976   8.8861 12.97162 12.48831 
1 1 1   10    8   41 o  477.882   7.7553  1557.91   46.988  1560.14   57.168  1553.28   82.497  478.918   8.8086  476.846   12.767 2.071716 15.51066 
1 1 1   10    8   42 o  510.228   8.0173  1775.85   52.626  1776.11   89.814  1775.71   64.941  509.714   13.003  510.742   9.3829 -1.027924 16.03464 
1 1 1   10    8   43 o  222.476   8.8815  336.835   26.776   0.0000   0.0000  336.835   26.776  ?   ?   222.476   8.8815      ?      ? 
1 1 1   10    8   44 o  371.773   5.4165  939.757   27.287  947.888   38.517  931.564   38.662  373.395   7.6121  370.150   7.7078 3.244934 10.83298 
1 1 1   10    8   45 o  395.641   7.9740  1069.01   42.730  1112.82   60.634  1025.80   60.228  403.746   11.082  387.535   11.468 16.21011 15.94797 
1 1 1   10    8   46 o  351.779   7.5465  840.516   35.884  785.338   48.702  906.043   53.073  339.229   10.594  364.329   10.750 -25.09970 15.09296 
1 1 1   10    8   47 o  125.341   5.7562  105.982   9.3159  110.004   15.922  103.889   11.487  127.053   9.2479  123.630   6.8567 3.422913 11.51246 
1 1 1   10    8   48 o  405.677   6.9356  1083.07   35.434  1229.52   64.877  1020.81   42.301  424.090   11.289  387.264   8.0605 36.82562 13.87116 
1 1 1   10    8   49 f  215.823   4.5524  316.612   13.312  319.419   18.703  313.729   18.952  216.800   6.3660  214.846   6.5095 1.953995 9.104895 
1 1 1   10    8   50 o  260.505   4.7313  461.369   16.692  483.965   23.761  439.355   23.453  266.818   6.5716  254.193   6.8085 12.62488 9.462691 
1 1 1   10    8   51 o  204.034   5.5227  283.636   14.361  284.017   17.557  282.865   24.966  204.410   6.3380  203.658   9.0461 0.7515259 11.04544 
1 1 1   10    8   52 o  107.123   6.1249   76.581   8.4348   73.224   10.297   83.425   14.704  103.726   7.3259  110.521   9.8178 -6.794861 12.24981 
1 1 1   10    8   53 o  124.119   4.7711  104.819   8.0193  105.538   11.156  104.049   11.536  124.570   6.6086  123.668   6.8833 0.9014282 9.542256 
1 1 1   10    8   54 f  126.823   4.8035  109.777   8.2223  120.406   11.584   98.985   11.672  133.057   6.4246  120.589   7.1429 12.46803 9.607059 
1 1 1   10    8   55 o  171.883   4.5976  200.780   10.703  192.212   14.883  209.957   15.403  168.086   6.5339  175.680   6.4699 -7.594437 9.195221 
1 1 1   10    8   56 o  111.853   5.1261   85.139   7.7646   80.928   10.808   89.631   11.162  108.992   7.3176  114.714   7.1805 -5.722336 10.25214 
1 1 1   10    8   57 o  146.942   4.7379  147.075   9.4306  150.869   13.277  143.213   13.397  148.868   6.5816  145.016   6.8173 3.851089 9.475894 
1 1 1   10    8   58 o  134.279   6.0801  121.555   10.342  118.604   12.496  127.970   18.424  131.924   6.9898  136.633   9.9504 -4.708878 12.16012 
1 1 1   10    8   59 o  147.247   5.9453  147.989   11.118  147.510   13.535  148.983   19.496  147.112   6.7892  147.382   9.7618 -0.2695770 11.89052 
1 1 1   10    8   60 o  120.737   5.0221   99.420   8.2145  102.391   11.778   96.606   11.463  122.493   7.0952  118.980   7.1094 3.512169 10.04423 
1 1 1   10    8   61 o  182.903   4.6558  228.202   11.540  229.532   16.368  226.887   16.272  183.433   6.5845  182.373   6.5841 1.060242 9.311620 
1 1 1   10    8   62 o   96.566   6.7780   64.150   8.3486   64.290   14.490   64.080   10.214   96.389   11.093   96.743   7.7912 -0.3538513 13.55603 
1 1 1   10    8   63 o  103.137   5.5464   72.938   7.7308   72.708   11.347   73.137   10.561  102.940   8.1343  103.334   7.5420 -0.3939743 11.09272 
1 1 1   10    8   64 o  195.839   5.7213  257.692   14.287  280.553   25.305  246.994   17.310  201.660   9.2598  190.019   6.7224 11.64130 11.44263 
1 1 1   10    8   65 o  107.258   5.2929   78.861   7.6785   85.956   11.072   72.288   10.658  111.933   7.2995  102.583   7.6667 9.349747 10.58587 
1 1 1   10    8   66 o   50.261   8.1511   18.172   5.8273   27.605   8.3108   9.0492   8.1731   63.055   9.7261   37.468   13.083 25.58695 16.30220 
1 1 1   10    8   67 o   85.853   7.1359   51.573   7.9043   51.947   9.8165   50.883   13.330   86.685   8.3566   85.022   11.569 1.663101 14.27171 
1 1 1   10    8   68 o   40.833   9.5224   11.745   6.4521   15.857   8.0956   4.5858   10.682   46.414   12.564   35.253   14.313 11.16137 19.04472 
1 1 1   10    8   69 o   41.138   9.0611   12.188   5.5984   11.594   7.9837   12.762   7.8527   40.358   12.913   41.918   12.715 -1.560188 18.12228 
1 1 1   10    8   70 o   58.541   7.9182   25.052   6.0908   18.141   8.5270   32.251   8.7030   49.284   12.691   67.799   9.4724 -18.51569 15.83633 
1 1 1   10    8   71 o  110.658   5.2460   85.026   7.8596   81.413   11.159   88.583   11.071  108.256   7.6069  113.059   7.2262 -4.802849 10.49207 
1 1 1   10    8   72 o   34.620   8.6285   6.7049   5.5174   0.3578   7.7884   13.099   7.8171   27.250   11.711   41.991   12.675 -14.74071 17.25697 
1 1 1   10    8   73 o   66.354   7.3249   32.076   6.2563   23.485   8.6492   41.504   9.0607   55.965   11.777   76.743   8.7125 -20.77806 14.64971 
1 1 1   10    8   74 o   53.964   9.9501   20.762   6.9083   17.183   8.2456   29.190   12.653   47.382   12.617   60.547   15.389 -13.16511 19.90010 
1 1 1   10    8   75 o   73.377   6.7715   38.024   6.5816   28.245   8.8188   50.319   9.8884   62.506   10.411   84.247   8.6614 -21.74058 13.54302 
1 1 1   10    8   76 o   76.750   8.5853   46.816   7.9176   36.281   13.294   52.606   9.8562   67.386   14.950   86.114   8.4460 -18.72818 17.17055 
1 1 1   10    8   77 o   78.364   7.6156   44.063   7.7504   48.257   13.169   41.840   9.5865   80.397   12.087   76.330   9.2679 4.067612 15.23129 
1 1 1   10    8   78 o   94.258   8.5767   63.455   10.955   0.0000   0.0000   63.455   10.955  ?   ?    94.258   8.5767      ?      ? 
1 1 1   10    8   79 o   53.235   12.602   22.267   8.9506   0.0000   0.0000   22.267   8.9506  ?   ?    53.235   12.602      ?      ? 
1 1 1   10    8   80 o   58.166   10.998   27.538   9.0642   18.836   12.038   38.930   13.774   47.663   15.897   68.670   15.203 -21.00727 21.99648 
1 1 1   10    8   81 o   31.809   9.5690  -3.4498   8.0934 -16.2616   10.869   12.493   12.125   22.532   10.983   41.085   15.672 -18.55339 19.13797 
1 1 1   10    8   82 o   49.251   11.418   21.042   8.8789   24.080   12.443   17.890   12.673   52.536   16.022   45.966   16.272 6.570564 22.83559 
1 1 1   10    8   83 o   35.927   10.550   7.1962   8.4494   6.2734   11.723   8.1939   12.189   35.029   14.679   36.824   15.158 -1.795734 21.10080 
1 1 1   10    8   84 o   21.980   7.5851 -17.1747   7.5113  -8.1495   10.492 -26.6632   10.758   24.811   11.745   19.149   9.6020 5.662006 15.17021 
1 1 1   10    8   85 o   27.971   9.0842  -4.8540   8.1787   2.9881   11.363 -13.2848   11.781   31.719   13.882   24.223   11.721 7.496441 18.16833 
1 1 1   10    8   86 o   32.035   9.9774   3.1949   8.4377   0.8904   11.699   5.6932   12.181   30.335   13.633   33.735   14.572 -3.399538 19.95476 
1 1 1   10    8   87 o   46.670   11.578   21.495   9.3913   14.457   13.031   29.103   13.547   39.913   15.946   53.427   16.790 -13.51417 23.15536 
1 1 1   10    8   88 o   23.505   11.464 -13.5354   11.887 -13.5354   11.887   0.0000   0.0000   23.505   11.464  ?   ?       ?      ? 
1 1 1   10    9    0 f  264.411   5.8066  471.578   19.114  467.867   22.842  480.242   34.906  262.720   6.4160  266.101   9.6800 -3.380585 11.61320 
1 1 1   10    9    1 o  128.749   9.8733  112.429   17.226   0.0000   0.0000  112.429   17.226  ?   ?   128.749   9.8733      ?      ? 
1 1 1   10    9    2 o  123.553   4.3728  103.502   7.3092  103.970   10.063  102.978   10.634  123.850   5.9958  123.255   6.3668 0.5951691 8.745627 
1 1 1   10    9    3 o  185.982   4.2789  233.859   10.770  222.717   14.772  246.500   15.734  181.266   6.0137  190.698   6.0887 -9.431992 8.557787 
1 1 1   10    9    4 o  714.251   8.4398  3460.51   81.670  3399.70  113.969  3524.71  117.090  707.808   11.882  720.694   11.989 -12.88599 16.87962 
1 1 1   10    9    5 o  499.283   6.4032  1690.38   43.319  1678.39   60.722  1702.81   61.817  497.483   9.0071  501.083   9.1036 -3.600677 12.80641 
1 1 1   10    9    6 o  894.256   10.257  5428.97  124.271  5548.01  177.900  5315.53  173.667  903.822   14.525  884.689   14.486 19.13312 20.51365 
1 1 1   10    9    7 o  546.170   6.8215  2023.29   50.486  2045.92   71.571  2000.88   71.227  549.211   9.6165  543.128   9.6774 6.083069 13.64293 
1 1 1   10    9    8 o  352.612   5.1816  842.927   24.754  868.628   35.179  817.723   34.838  357.938   7.2526  347.287   7.4025 10.65115 10.36327 
1 1 1   10    9    9 o  576.703   8.7788  2257.13   64.306  2256.15   78.314  2259.15  112.671  576.696   10.021  576.709   14.417 -0.1300049E-01 17.55755 
1 1 1   10    9   10 o  241.063   5.3507  390.485   14.506  387.722   16.407  400.372   31.041  239.175   5.0622  242.951   9.4284 -3.775772 10.70141 
1 1 1   10    9   11 o  339.216   5.9623  770.324   23.055  761.973   26.199  798.984   48.537  335.276   5.7664  343.157   10.438 -7.881500 11.92455 
1 1 1   10    9   12 f  241.289   5.3645  395.660   14.601  396.371   16.572  393.190   30.871  241.825   5.0570  240.752   9.4624 1.073074 10.72896 
1 1 1   10    9   13 o  459.599   7.0694  1427.59   37.506  1422.54   42.935  1443.83   77.061  458.053   6.9169  461.145   12.331 -3.091675 14.13887 
1 1 1   10    9   14 o  594.330   8.4816  2400.64   58.612  2403.05   67.399  2393.15  118.714  595.246   8.3556  593.414   14.763 1.832581 16.96321 
1 1 1   10    9   15 o  284.646   5.9075  555.774   20.928  565.667   25.170  533.616   37.668  288.854   6.4303  280.439   9.9118 8.414978 11.81492 
1 1 1   10    9   16 o  344.387   6.4173  818.560   27.780  843.540   33.796  766.515   48.781  352.711   7.0707  336.064   10.711 16.64694 12.83459 
1 1 1   10    9   17 o  634.175   9.4203  2701.97   75.205  2651.75   90.466  2814.30  135.305  625.048   10.680  643.301   15.521 -18.25250 18.84060 
1 1 1   10    9   18 o  493.661   7.8368  1641.15   48.675  1619.10   58.595  1690.24   87.434  488.529   8.8509  498.793   12.935 -10.26425 15.67362 
1 1 1   10    9   19 o  270.377   5.6077  509.915   17.343  522.796   19.922  469.600   35.245  277.708   5.2937  263.047   9.8875 14.66083 11.21541 
1 1 1   10    9   20 o  434.933   6.8666  1289.16   34.581  1294.10   39.716  1273.65   70.315  436.854   6.7089  433.011   11.983 3.842224 13.73318 
1 1 1   10    9   21 o  490.502   7.3872  1615.61   41.762  1599.77   47.702  1667.61   86.419  485.668   7.2479  495.337   12.874 -9.669006 14.77435 
1 1 1   10    9   22 f  194.758   5.2688  253.840   11.484  251.227   12.955  263.427   24.812  192.509   4.9659  197.008   9.2940 -4.498734 10.53752 
1 1 1   10    9   23 o  328.683   5.9123  725.362   22.223  718.810   25.301  747.484   46.493  325.597   5.7341  331.769   10.341 -6.172180 11.82460 
1 1 1   10    9   24 o  219.526   5.5594  323.592   15.174  318.591   18.084  335.487   27.891  216.748   6.1569  222.303   9.2584 -5.554321 11.11875 
1 1 1   10    9   25 o  362.111   10.554  890.817   51.791  890.817   51.791   0.0000   0.0000  362.111   10.554  ?   ?       ?      ? 
1 1 1   10    9   26 o  581.806   10.131  2304.86   79.861  2337.09  114.372  2274.20  111.561  585.756   14.409  577.856   14.247 7.900208 20.26249 
1 1 1   10    9   27 o  331.391   6.1607  760.683   26.354  799.299   33.099  693.806   43.558  343.226   7.1163  319.556   10.059 23.66965 12.32145 
1 1 1   10    9   28 o  344.532   5.1449  805.442   24.014  802.545   33.527  808.494   34.411  343.901   7.1941  345.162   7.3570 -1.260345 10.28982 
1 1 1   10    9   29 o  101.390   4.7839   69.625   6.5661   67.031   9.0357   72.527   9.5579   99.394   6.7083  103.386   6.8221 -3.991829 9.567815 
1 1 1   10    9   30 o  559.212   6.9690  2123.01   52.779  2217.23   76.146  2035.89   73.222  571.142   9.8382  547.282   9.8729 23.86017 13.93792 
1 1 1   10    9   31 o  437.023   5.8783  1297.14   34.809  1322.48   49.377  1272.11   49.080  441.272   8.2573  432.773   8.3688 8.499084 11.75667 
1 1 1   10    9   32 o  320.474   4.9737  697.310   21.595  711.488   30.440  682.945   30.640  323.762   6.9381  317.185   7.1283 6.576233 9.947381 
1 1 1   10    9   33 f  275.187   4.6784  514.092   17.441  519.468   24.441  508.514   24.897  276.660   6.5190  273.715   6.7121 2.945770 9.356826 
1 1 1   10    9   34 o  290.382   6.8491  572.426   26.952   0.0000   0.0000  572.426   26.952  ?   ?   290.382   6.8491      ?      ? 
1 1 1   10    9   35 o  343.455   5.1434  801.189   23.934  819.579   33.841  782.785   33.854  347.408   7.1883  339.502   7.3584 7.905762 10.28676 
1 1 1   10    9   36 o  271.358   4.6742  499.976   17.181  502.389   23.984  497.433   24.624  272.039   6.5058  270.677   6.7132 1.361786 9.348434 
1 1 1   10    9   37 o  414.956   5.7079  1169.75   32.087  1150.19   44.693  1190.56   46.094  411.385   8.0170  418.526   8.1271 -7.140656 11.41588 
1 1 1   10    9   38 o  218.825   4.4352  325.218   13.142  329.037   18.304  321.155   18.882  220.161   6.1351  217.490   6.4066 2.671524 8.870419 
1 1 1   10    9   39 o  103.487   4.7857   72.532   6.6930   70.133   9.0768   75.390   9.9086  101.624   6.5911  105.350   6.9405 -3.726563 9.571468 
1 1 1   10    9   40 f  488.466   7.8617  1618.91   48.582  1603.52   58.833  1651.88   86.136  485.416   8.9438  491.516   12.932 -6.099731 15.72343 
1 1 1   10    9   41 o   98.865   10.813   66.671   14.487   0.0000   0.0000   66.671   14.487  ?   ?    98.865   10.813      ?      ? 
1 1 1   10    9   42 o  232.183   6.5550  366.210   20.625   0.0000   0.0000  366.210   20.625  ?   ?   232.183   6.5550      ?      ? 
1 1 1   10    9   43 o  191.227   4.4272  248.566   11.464  255.772   16.070  241.098   16.359  194.063   6.1107  188.392   6.4078 5.670731 8.854424 
1 1 1   10    9   44 o  210.133   4.4747  299.914   12.735  298.274   17.705  301.673   18.332  209.546   6.2351  210.720   6.4199 -1.174515 8.949349 
1 1 1   10    9   45 o  157.450   4.4703  168.281   9.5318  164.499   13.192  172.413   13.788  155.605   6.2560  159.296   6.3872 -3.690323 8.940592 
1 1 1   10    9   46 o  181.039   5.4895  225.556   12.888  214.055   21.325  232.174   16.177  177.243   8.8784  184.835   6.4584 -7.592819 10.97895 
1 1 1   10    9   47 o  293.763   9.7280  588.831   38.726   0.0000   0.0000  588.831   38.726  ?   ?   293.763   9.7280      ?      ? 
1 1 1   10    9   48 o  196.637   5.4967  265.701   13.857  271.144   17.128  255.389   23.577  199.734   6.3280  193.540   8.9896 6.193573 10.99345 
1 1 1   10    9   49 o  301.800   4.9912  619.741   20.409  630.813   28.771  608.527   28.955  304.528   6.9718  299.071   7.1443 5.456848 9.982359 
1 1 1   10    9   50 o  219.952   4.6129  328.921   13.747  326.743   19.232  331.197   19.658  219.214   6.4739  220.691   6.5730 -1.477066 9.225828 
1 1 1   10    9   51 o  131.186   4.7792  117.258   8.4822  122.027   11.831  112.214   12.167  133.953   6.5177  128.418   6.9916 5.534500 9.558365 
1 1 1   10    9   52 o  209.418   4.5752  298.158   12.981  292.737   18.113  303.882   18.612  207.465   6.4428  211.370   6.4978 -3.905670 9.150439 
1 1 1   10    9   53 o  103.872   5.2041   73.429   7.3225   71.266   10.190   75.738   10.530  102.292   7.3508  105.451   7.3686 -3.159340 10.40820 
1 1 1   10    9   54 o  114.276   5.0169   89.260   7.7305   99.099   10.905   79.320   10.960  120.663   6.6689  107.888   7.4968 12.77489 10.03375 
1 1 1   10    9   55 o  117.319   4.9776   93.652   7.9002   86.303   10.983  101.531   11.372  112.541   7.2019  122.097   6.8730 -9.556702 9.955150 
1 1 1   10    9   56 o   70.628   6.5388   34.139   6.2568   34.099   8.7508   34.181   8.9495   70.594   9.1474   70.663   9.3461 -0.6898499E-01 13.07762 
1 1 1   10    9   57 o  122.159   4.9836  101.800   8.2459  103.637   11.554   99.892   11.772  123.297   6.9150  121.021   7.1782 2.276505 9.967108 
1 1 1   10    9   58 o  183.286   5.9430  234.598   13.660  243.036   16.621  217.042   23.976  188.831   6.4955  177.742   9.9543 11.08943 11.88609 
1 1 1   10    9   59 o  134.728   7.0176  123.857   12.741  107.289   17.248  143.758   18.903  124.835   10.196  144.622   9.6453 -19.78767 14.03510 
1 1 1   10    9   60 o  131.395   4.9154  117.993   8.7353  127.516   12.443  108.739   12.266  136.660   6.7189  126.130   7.1765 10.52958 9.830841 
1 1 1   10    9   61 o  221.261   4.7273  334.487   14.174  332.877   19.934  336.134   20.157  220.729   6.6644  221.794   6.7064 -1.065430 9.454654 
1 1 1   10    9   62 o   77.739   6.5038   41.793   6.8254   37.929   9.7040   45.576   9.6018   74.102   9.6636   81.375   8.7072 -7.273262 13.00766 
1 1 1   10    9   63 o  214.787   4.7397  315.737   13.791  305.144   19.353  326.668   19.659  211.107   6.7650  218.467   6.6402 -7.360184 9.479354 
1 1 1   10    9   64 o   90.362   7.9222   57.085   9.7001   58.038   13.823   56.160   13.615   91.108   11.196   89.617   11.211 1.490509 15.84439 
1 1 1   10    9   65 o   45.146   10.081   14.272   6.7002   13.467   8.3695   15.708   11.180   43.278   13.127   47.015   15.303 -3.737419 20.16191 
1 1 1   10    9   66 o  138.989   4.9509  132.871   9.3169  125.563   13.061  140.442   13.294  135.058   7.1364  142.919   6.8642 -7.861633 9.901776 
1 1 1   10    9   67 o   59.184   7.8553   25.150   6.1609   27.864   8.7991   22.539   8.6292   62.979   10.310   55.388   11.855 7.591118 15.71067 
1 1 1   10    9   68 o   97.158   5.6258   65.518   7.4034   68.052   10.498   63.011   10.442   99.066   7.8197   95.250   8.0901 3.816406 11.25152 
1 1 1   10    9   69 o   98.280   5.6181   67.199   7.4808   66.437   10.644   67.943   10.516   97.699   8.0395   98.862   7.8496 -1.162849 11.23612 
1 1 1   10    9   70 o   62.892   7.4633   28.584   6.2105   30.407   8.7424   26.728   8.8240   65.533   9.8444   60.251   11.220 5.281689 14.92669 
1 1 1   10    9   71 o   35.783   7.4056   4.8298   5.3459   19.709   7.6133  -9.6414   7.5081   51.422   11.239   20.143   9.6462 31.27891 14.81111 
1 1 1   10    9   72 o   43.150   12.666   14.090   7.8914   14.090   7.8914   0.0000   0.0000   43.150   12.666  ?   ?       ?      ? 
1 1 1   10    9   73 o   77.148   8.1976   44.274   7.9110   42.974   13.286   44.988   9.8469   74.777   13.613   79.520   9.1378 -4.743431 16.39517 
1 1 1   10    9   74 o   43.984   10.365   13.365   8.1168   23.689   11.355   2.5773   11.607   54.370   14.948   33.599   14.364 20.77135 20.73027 
1 1 1   10    9   75 f  105.023   7.9259   81.193   11.250   82.506   15.460   79.716   16.403  106.268   10.735  103.779   11.663 2.489220 15.85177 
1 1 1   10    9   76 o   72.152   9.2556   43.408   8.0251   30.726   13.711   50.017   9.8979   60.640   16.323   83.663   8.7302 -23.02291 18.51117 
1 1 1   10    9   77 o  123.421   6.4215  106.923   10.195  118.477   17.742  101.227   12.458  127.251   10.288  119.592   7.6871 7.658707 12.84300 
1 1 1   10    9   78 o   97.440   8.4584   71.213   11.131   66.654   15.002   76.796   16.602   94.159   11.757  100.721   12.163 -6.561577 16.91676 
1 1 1   10    9   79 o  150.699   10.570  168.309   21.585   0.0000   0.0000  168.309   21.585  ?   ?   150.699   10.570      ?      ? 
1 1 1   10    9   80 o   51.941   10.961   21.261   9.0796   9.3617   12.087   36.674   13.756   38.210   15.325   65.671   15.674 -27.46083 21.92145 
1 1 1   10    9   81 o   45.687   11.088   16.261   8.7125   8.1120   11.629   26.688   13.154   36.592   14.904   54.782   16.421 -18.19005 22.17619 
1 1 1   10    9   82 o   35.389   10.395   6.7657   8.2241   4.2736   11.241   9.6364   12.064   33.033   14.129   37.746   15.250 -4.713203 20.78916 
1 1 1   10    9   83 o   46.088   11.251   18.027   9.1340   8.7418   12.580   28.380   13.284   36.907   15.314   55.269   16.487 -18.36198 22.50220 
1 1 1   10    9   84 o   40.281   10.947   12.649   8.7778   5.5026   12.099   20.591   12.754   33.840   14.570   46.722   16.342 -12.88239 21.89380 
1 1 1   10    9   85 o   46.296   11.697   21.097   9.2817   20.858   13.041   21.342   13.213   46.100   16.486   46.491   16.598 -0.3917274 23.39413 
1 1 1   10    9   86 o   62.399   11.499   39.029   10.415   25.639   14.534   53.159   14.931   48.787   17.409   76.011   15.027 -27.22483 22.99772 
1 1 1   10    9   87 o   37.112   10.869   11.656   9.1789   5.8590   12.971   17.470   12.991   32.966   14.613   41.258   16.093 -8.291805 21.73795 
1 1 1   10   10    0 o  311.565   4.9258  658.035   20.786  688.660   29.626  628.345   29.170  318.706   6.8597  304.424   7.0709 14.28241 9.851541 
1 1 1   10   10    1 o  198.462   4.3762  267.280   11.758  277.676   16.501  256.558   16.758  202.389   6.0163  194.536   6.3568 7.853806 8.752423 
1 1 1   10   10    2 o  148.947   4.4444  150.874   8.9169  170.935   12.668  131.176   12.553  158.795   5.8871  139.098   6.6597 19.69740 8.888726 
1 1 1   10   10    3 o  431.813   5.8430  1264.52   34.188  1260.46   47.992  1268.71   48.714  431.111   8.2148  432.514   8.3114 -1.403168 11.68601 
1 1 1   10   10    4 o  734.816   8.6624  3666.08   86.257  3663.51  121.620  3668.69  122.355  734.560   12.218  735.071   12.283 -0.5111084 17.32486 
1 1 1   10   10    5 o  227.003   4.5325  348.880   13.929  339.267   19.188  359.589   20.252  223.704   6.3296  230.303   6.4892 -6.598999 9.065019 
1 1 1   10   10    6 o  147.342   6.4910  149.137   12.538  155.182   16.016  139.568   20.149  151.272   7.8128  143.413   10.368 7.859161 12.98206 
1 1 1   10   10    7 o  141.991   6.3827  131.620   11.951  116.028   14.952  159.210   19.889  130.793   8.4359  153.188   9.5809 -22.39497 12.76548 
1 1 1   10   10    8 o  393.360   7.8572  1049.32   41.782  1036.73   56.977  1063.97   61.453  390.831   10.758  395.889   11.455 -5.058380 15.71441 
1 1 1   10   10    9 o  427.639   8.2357  1241.26   47.656  1234.98   65.556  1248.29   69.400  426.515   11.342  428.763   11.944 -2.247620 16.47148 
1 1 1   10   10   10 o  387.082   7.7799  1016.17   40.718  1003.52   55.598  1030.81   59.800  384.506   10.670  389.657   11.325 -5.151062 15.55980 
1 1 1   10   10   11 o  705.807   10.350  3402.72   93.198  3434.45  114.276  3339.69  161.051  711.157   11.858  700.457   16.967 10.70068 20.69974 
1 1 1   10   10   12 o  413.503   7.1061  1163.40   37.139  1168.64   45.082  1152.32   65.516  415.082   8.0147  411.924   11.737 3.157532 14.21215 
1 1 1   10   10   13 o  250.889   5.4330  412.029   15.281  401.006   17.185  453.678   33.404  243.219   5.2140  258.559   9.5335 -15.33963 10.86610 
1 1 1   10   10   14 o  285.922   5.6705  549.185   18.404  544.788   20.892  564.422   38.890  283.480   5.4384  288.364   9.9520 -4.884125 11.34104 
1 1 1   10   10   15 o  444.347   7.0220  1357.39   36.241  1373.95   41.773  1307.00   72.872  450.111   6.8485  438.584   12.261 11.52725 14.04391 
1 1 1   10   10   16 o  701.789   10.306  3357.05   92.087  3369.00  112.532  3332.84  160.217  704.183   11.793  699.396   16.905 4.787048 20.61138 
1 1 1   10   10   17 o  487.061   7.8482  1598.43   48.157  1576.62   58.033  1646.67   86.295  481.988   8.8850  492.134   12.940 -10.14578 15.69642 
1 1 1   10   10   18 o  215.883   5.7325  321.034   15.392  328.703   18.534  303.991   27.631  220.163   6.2123  211.602   9.6360 8.561340 11.46491 
1 1 1   10   10   19 o  215.667   5.6604  315.874   15.258  316.293   18.333  314.931   27.521  215.961   6.2644  215.374   9.4296 0.5865936 11.32077 
1 1 1   10   10   20 o  336.014   7.2074  765.960   32.819  765.960   32.819   0.0000   0.0000  336.014   7.2074  ?   ?       ?      ? 
1 1 1   10   10   21 o  638.144   10.927  2767.55   94.492  2767.55   94.492   0.0000   0.0000  638.144   10.927  ?   ?       ?      ? 
1 1 1   10   10   22 o  262.160   6.5678  466.212   23.333  466.212   23.333   0.0000   0.0000  262.160   6.5678  ?   ?       ?      ? 
1 1 1   10   10   23 o  398.045   6.5518  1074.33   30.049  1072.72   34.390  1079.53   61.792  397.666   6.3815  398.423   11.445 -0.7565613 13.10359 
1 1 1   10   10   24 o  180.233   5.3796  226.830   10.867  232.055   12.372  209.184   22.734  184.996   4.9349  175.469   9.5607 9.526840 10.75922 
1 1 1   10   10   25 o  263.709   5.5027  468.777   16.567  465.971   18.862  478.252   34.655  262.127   5.3100  265.290   9.6397 -3.163696 11.00546 
1 1 1   10   10   26 o  267.895   5.5812  487.632   17.063  487.941   19.455  486.603   35.517  268.227   5.3525  267.563   9.7954 0.6641235 11.16241 
1 1 1   10   10   27 o  379.096   6.3840  963.920   27.777  953.044   31.659  1000.29   57.894  374.790   6.2334  383.402   11.143 -8.612000 12.76790 
1 1 1   10   10   28 o  202.947   4.3681  279.135   12.006  269.227   16.643  289.884   17.336  199.197   6.1656  206.697   6.1891 -7.499893 8.736157 
1 1 1   10   10   29 o  107.195   4.7243   78.084   6.8537   81.993   9.6401   74.089   9.7460  109.917   6.4719  104.474   6.8840 5.443207 9.448523 
1 1 1   10   10   30 o  255.837   4.5993  444.155   15.931  470.176   22.732  419.037   22.334  263.209   6.3731  248.466   6.6331 14.74278 9.198586 
1 1 1   10   10   31 o  316.416   7.0755  679.799   30.339   0.0000   0.0000  679.799   30.339  ?   ?   316.416   7.0755      ?      ? 
1 1 1   10   10   32 o  183.147   4.3669  227.107   10.825  215.086   14.890  240.584   15.766  178.019   6.1721  188.275   6.1793 -10.25600 8.733746 
1 1 1   10   10   33 o  234.830   4.5202  374.214   14.378  370.254   19.985  378.462   20.700  233.548   6.3146  236.111   6.4695 -2.563736 9.040343 
1 1 1   10   10   34 o  180.468   4.3984  220.894   10.748  216.464   14.857  225.759   15.569  178.576   6.1395  182.361   6.3000 -3.785004 8.796786 
1 1 1   10   10   35 o  456.900   6.0869  1418.95   37.674  1472.26   53.948  1368.20   52.635  465.282   8.5561  448.518   8.6598 16.76431 12.17373 
1 1 1   10   10   36 o  418.836   7.0615  1202.72   38.196  1168.45   64.182  1221.52   47.530  413.843   11.444  423.830   8.2754 -9.986725 14.12290 
1 1 1   10   10   37 o  114.903   10.703   90.021   16.665   0.0000   0.0000   90.021   16.665  ?   ?   114.903   10.703      ?      ? 
1 1 1   10   10   38 o  293.573   4.8877  585.602   19.441  587.371   27.245  583.767   27.749  294.033   6.8377  293.113   6.9859 0.9207458 9.775311 
1 1 1   10   10   39 o  193.200   5.5578  250.882   13.379  246.429   15.964  261.388   24.521  190.490   6.1843  195.910   9.2365 -5.420456 11.11565 
1 1 1   10   10   40 o  183.784   5.7590  241.131   13.076  260.767   15.942  200.754   22.860  195.957   6.0033  171.611   9.8298 24.34584 11.51801 
1 1 1   10   10   41 o  111.510   4.8465   85.114   7.2646   95.817   10.158   73.909   10.393  118.763   6.3118  104.258   7.3563 14.50533 9.693018 
1 1 1   10   10   42 o  269.262   4.7395  492.828   17.278  520.919   24.572  465.358   24.299  276.871   6.5491  261.653   6.8529 15.21762 9.479084 
1 1 1   10   10   43 o  119.117   4.7479   96.116   7.6503   90.786   10.449  102.275   11.232  115.572   6.6716  122.662   6.7572 -7.089806 9.495772 
1 1 1   10   10   44 o   50.271   8.6640   18.752   5.8490   21.747   7.1604   12.745   10.140   56.472   9.3567   44.070   14.585 12.40208 17.32804 
1 1 1   10   10   45 o   80.807   6.5981   43.699   6.8727   41.928   8.4212   47.230   11.893   78.476   7.9187   83.137   10.556 -4.660927 13.19625 
1 1 1   10   10   46 o  196.000   5.6010  263.925   14.114  254.055   23.884  269.221   17.496  193.000   9.1320  199.001   6.4877 -6.001083 11.20194 
1 1 1   10   10   47 o  176.911   5.5700  206.641   12.657  233.329   22.264  193.896   15.386  184.971   8.8819  168.850   6.7241 16.12065 11.14010 
1 1 1   10   10   48 o   75.207   6.2878   38.875   6.2188   27.530   8.5736   51.472   9.0338   63.474   9.9674   86.940   7.6677 -23.46628 12.57551 
1 1 1   10   10   49 o  213.758   4.6095  310.637   13.349  305.012   18.628  316.575   19.139  211.773   6.4910  215.743   6.5464 -3.970032 9.218930 
1 1 1   10   10   50 o  330.600   6.2881  733.191   26.569  784.363   46.690  708.686   32.310  338.610   10.175  322.589   7.3910 16.02136 12.57614 
1 1 1   10   10   51 o  187.294   6.3570  238.660   16.091  264.756   23.504  215.639   22.076  196.924   8.8075  177.665   9.1692 19.25906 12.71401 
1 1 1   10   10   52 f  121.905   4.9973  101.145   8.2516   98.920   11.459  103.541   11.892  120.518   7.0162  123.292   7.1178 -2.773834 9.994537 
1 1 1   10   10   53 o   67.074   6.8043   30.841   6.1758   29.550   8.8404   32.072   8.6311   65.678   9.9328   68.469   9.3022 -2.791313 13.60851 
1 1 1   10   10   54 o  224.210   4.6716  342.408   14.190  353.392   20.148  331.596   19.988  227.792   6.5269  220.628   6.6855 7.164383 9.343242 
1 1 1   10   10   55 o  162.434   5.6114  176.148   11.792  193.896   20.318  167.131   14.481  168.290   8.9091  156.578   6.8248 11.71260 11.22279 
1 1 1   10   10   56 o  214.525   5.7007  315.779   15.719  311.379   26.771  318.095   19.419  213.060   9.2722  215.990   6.6347 -2.929626 11.40142 
1 1 1   10   10   57 o  173.371   4.7310  205.246   11.105  214.373   15.664  196.023   15.747  177.280   6.5202  169.463   6.8569 7.816788 9.462057 
1 1 1   10   10   58 o  117.029   6.8355   96.344   9.7672   99.253   11.641   89.428   17.950  120.502   7.1290  113.555   11.665 6.946404 13.67095 
1 1 1   10   10   59 o  106.371   6.9501   78.664   9.1035   79.528   10.857   76.617   16.707  107.774   7.4336  104.968   11.745 2.805412 13.90011 
1 1 1   10   10   60 o   94.694   5.7245   61.469   7.3092   53.447   10.096   70.305   10.596   88.157   8.4512  101.231   7.7237 -13.07482 11.44894 
1 1 1   10   10   61 o  131.868   5.8660  117.684   10.078  112.664   12.508  126.972   17.014  128.182   7.2007  135.554   9.2624 -7.371719 11.73207 
1 1 1   10   10   62 o   95.256   6.7548   64.083   8.2420   66.822   10.256   59.088   13.850   98.568   7.6779   91.944   11.116 6.624077 13.50955 
1 1 1   10   10   63 o  134.878   4.9420  124.882   9.0278  119.167   12.607  130.897   12.934  131.693   7.0640  138.063   6.9133 -6.369949 9.883981 
1 1 1   10   10   64 o   58.895   9.2025   25.616   6.9198   25.280   11.582   25.803   8.6290   58.068   14.704   59.723   11.070 -1.654705 18.40499 
1 1 1   10   10   65 o  124.466   5.0508  106.841   8.5106  112.826   12.087  100.956   11.985  127.975   6.9697  120.957   7.3120 7.018784 10.10155 
1 1 1   10   10   66 o  119.545   5.1202   98.740   8.2913   94.898   11.644  102.691   11.809  117.157   7.3342  121.933   7.1468 -4.776741 10.24049 
1 1 1   10   10   67 o   46.864   8.6427   16.396   5.7441   10.688   8.1543   22.017   8.0929   39.051   13.084   54.677   11.296 -15.62619 17.28549 
1 1 1   10   10   68 o   60.159   7.7153   26.320   6.1129   22.104   8.5637   30.700   8.7287   54.432   11.938   65.885   9.7764 -11.45373 15.43051 
1 1 1   10   10   69 o  114.389   5.3281   91.060   8.2089   78.234   11.358  105.085   11.877  105.800   7.9223  122.978   7.1270 -17.17778 10.65627 
1 1 1   10   10   70 o   61.851   9.3002   30.008   7.2930   25.155   12.548   32.485   8.9623   56.211   15.810   67.491   9.7991 -11.28014 18.60039 
1 1 1   10   10   71 o   37.125   8.6357   7.8870   6.5796 -10.4800   10.946   18.278   8.2331   25.389   12.012   48.861   12.410 -23.47202 17.27138 
1 1 1   10   10   72 o  135.068   6.2575  130.172   10.881  128.070   18.380  131.306   13.502  133.195   10.183  136.941   7.2756 -3.745880 12.51498 
1 1 1   10   10   73 o   78.999   8.7725   50.492   8.3083   35.981   13.602   59.128   10.493   66.756   15.356   91.242   8.4865 -24.48627 17.54499 
1 1 1   10   10   74 o   69.729   10.430   38.582   9.5171   34.493   12.774   43.682   14.268   65.509   14.745   73.950   14.755 -8.440758 20.85968 
1 1 1   10   10   75 o   76.679   12.760   44.659   13.259   44.659   13.259   0.0000   0.0000   76.679   12.760  ?   ?       ?      ? 
1 1 1   10   10   76 o   70.459   10.513   40.090   9.6981   36.595   13.110   44.316   14.413   67.028   14.826   73.890   14.909 -6.861771 21.02551 
1 1 1   10   10   77 o   69.415   10.631   39.190   9.7042   32.938   13.055   46.911   14.508   62.773   15.451   76.057   14.607 -13.28350 21.26235 
1 1 1   10   10   78 o   51.714   10.607   19.701   9.0820   4.7907   12.033   39.440   13.845   34.729   14.729   68.699   15.267 -33.96957 21.21405 
1 1 1   10   10   79 o   64.573   16.366   36.484   14.340   0.0000   0.0000   36.484   14.340  ?   ?    64.573   16.366      ?      ? 
1 1 1   10   10   80 f   45.309   10.469   12.849   8.9406  -2.9755   11.914   33.250   13.527   29.324   13.405   61.294   16.084 -31.96985 20.93801 
1 1 1   10   10   81 o   36.083   10.494   7.7191   8.4916   12.016   11.394   2.3512   12.736   39.280   15.141   32.886   14.534 6.393970 20.98761 
1 1 1   10   10   82 o   46.002   11.511   19.177   9.1801   13.653   12.762   25.102   13.216   40.594   15.918   51.410   16.631 -10.81689 23.02112 
1 1 1   10   10   83 o   31.575   9.8926   1.7367   8.6025   7.2874   12.042  -4.0475   12.293   34.794   14.744   28.356   13.193 6.437786 19.78526 
1 1 1   10   10   84 o   31.994   10.030   3.3890   8.7118   6.2322   12.117   0.3462   12.535   33.597   14.523   30.392   13.838 3.205194 20.05981 
1 1 1   10   10   85 o   70.272   11.471   48.427   10.771   40.234   14.794   57.667   15.711   62.322   17.032   78.223   15.369 -15.90076 22.94143 
1 1 1   10   11    0 o  100.784   5.1515   68.686   7.0130   66.547   9.4850   71.266   10.416   99.060   7.0657  102.507   7.4984 -3.446648 10.30292 
1 1 1   10   11    1 o  444.272   5.9940  1339.04   36.083  1365.94   51.163  1312.43   50.895  448.716   8.4140  439.829   8.5391 8.886230 11.98797 
1 1 1   10   11    2 o  485.206   6.3405  1597.53   41.687  1606.83   58.708  1588.08   59.204  486.635   8.9025  483.778   9.0307 2.857452 12.68102 
1 1 1   10   11    3 o  242.701   6.6491  399.430   21.868   0.0000   0.0000  399.430   21.868  ?   ?   242.701   6.6491      ?      ? 
1 1 1   10   11    4 o  241.957   4.6215  397.243   15.141  405.029   21.124  389.016   21.713  244.402   6.3780  239.513   6.6897 4.889114 9.242902 
1 1 1   10   11    5 o  227.667   4.5843  351.524   14.132  352.700   19.611  350.253   20.382  228.067   6.3454  227.267   6.6182 0.8003387 9.168660 
1 1 1   10   11    6 o  652.137   7.8848  2887.74   69.671  2951.74   99.368  2825.85   97.712  659.246   11.123  645.028   11.179 14.21838 15.76954 
1 1 1   10   11    7 o  409.244   5.7083  1131.04   31.580  1059.87   42.893  1215.29   46.667  395.254   8.0082  423.233   8.1367 -27.97971 11.41652 
1 1 1   10   11    8 o  541.836   6.8464  1993.10   50.268  2007.49   70.953  1978.60   71.228  543.805   9.6282  539.867   9.7360 3.938477 13.69280 
1 1 1   10   11    9 o  255.150   4.6771  441.755   16.158  448.376   22.496  434.699   23.223  257.132   6.4561  253.169   6.7691 3.963074 9.354200 
1 1 1   10   11   10 o  223.639   5.8576  345.732   16.260  355.797   19.576  323.343   29.196  229.055   6.3068  218.222   9.8728 10.83209 11.71527 
1 1 1   10   11   11 o  683.015   9.5482  3170.58   75.776  3167.58   87.077  3179.95  153.807  683.061   9.4073  682.969   16.619 0.9234619E-01 19.09637 
1 1 1   10   11   12 o  258.354   5.7493  460.038   16.541  465.549   18.730  440.505   35.261  262.039   5.2746  254.669   10.217 7.370819 11.49851 
1 1 1   10   11   13 o   88.280   5.7176   52.846   6.8400   52.846   6.8400   0.0000   0.0000   88.280   5.7176  ?   ?       ?      ? 
1 1 1   10   11   14 o  115.173   5.1656   89.938   8.0623   89.938   8.0623   0.0000   0.0000  115.173   5.1656  ?   ?       ?      ? 
1 1 1   10   11   15 o  164.592   4.9446  183.674   11.029  183.674   11.029   0.0000   0.0000  164.592   4.9446  ?   ?       ?      ? 
1 1 1   10   11   16 o  104.759   6.5056   79.386   7.0082   82.265   7.7901   67.165   16.050  110.147   5.2190   99.372   11.919 10.77480 13.01125 
1 1 1   10   11   17 o  251.934   5.5559  434.319   15.785  437.188   17.936  424.465   33.240  253.917   5.2125  249.951   9.8134 3.965363 11.11181 
1 1 1   10   11   18 o  282.516   5.6479  529.659   18.022  520.148   20.369  563.950   38.675  276.948   5.4273  288.083   9.9066 -11.13489 11.29586 
1 1 1   10   11   19 o  236.581   5.5336  383.452   14.732  386.286   16.729  373.663   31.091  238.671   5.1722  234.491   9.7843 4.180359 11.06726 
1 1 1   10   11   20 o  284.943   5.7029  540.770   18.376  532.450   20.792  570.466   39.279  280.191   5.4759  289.696   10.005 -9.504822 11.40582 
1 1 1   10   11   21 o  485.503   7.4262  1598.51   41.647  1594.40   47.707  1611.66   85.382  484.663   7.2638  486.344   12.955 -1.681396 14.85245 
1 1 1   10   11   22 o  135.025   5.4293  112.846   8.1622  105.505   9.0859  143.549   18.580  124.721   5.3758  145.328   9.4345 -20.60685 10.85857 
1 1 1   10   11   23 o  373.786   6.4205  958.971   27.701  967.765   31.815  931.409   56.324  377.662   6.2165  369.911   11.236 7.750977 12.84103 
1 1 1   10   11   24 o  273.044   5.6134  491.788   17.345  480.384   19.596  533.047   37.273  266.118   5.4338  279.970   9.8242 -13.85156 11.22677 
1 1 1   10   11   25 o  294.969   5.8167  595.496   19.640  599.372   22.457  582.889   40.500  297.238   5.5753  292.700   10.210 4.538422 11.63347 
1 1 1   10   11   26 o   61.427   8.5597   26.894   5.6851   27.387   6.3801   24.992   12.526   63.504   7.4137   59.349   15.431 4.155319 17.11941 
1 1 1   10   11   27 o  217.658   5.3229  311.010   13.136  302.559   14.839  341.615   28.239  211.193   5.1849  224.124   9.2977 -12.93184 10.64571 
1 1 1   10   11   28 o  146.185   5.3751  140.863   8.9063  137.469   10.067  153.092   19.107  142.351   5.2185  150.019   9.3986 -7.667404 10.75022 
1 1 1   10   11   29 o  220.970   5.4113  332.748   13.660  333.623   15.591  329.860   28.340  221.758   5.1882  220.181   9.4980 1.577225 10.82259 
1 1 1   10   11   30 o  225.122   5.5169  353.014   14.213  360.887   16.319  328.274   28.928  230.634   5.2213  219.609   9.7203 11.02448 11.03386 
1 1 1   10   11   31 o  141.378   5.7598  130.902   10.046  124.372   11.817  147.919   19.076  135.342   6.4430  147.414   9.5492 -12.07262 11.51951 
1 1 1   10   11   32 o  191.908   9.4788  250.716   24.651   0.0000   0.0000  250.716   24.651  ?   ?   191.908   9.4788      ?      ? 
1 1 1   10   11   33 o  304.950   7.0695  631.822   29.215   0.0000   0.0000  631.822   29.215  ?   ?   304.950   7.0695      ?      ? 
1 1 1   10   11   34 o  319.400   5.0406  692.310   21.802  668.225   30.154  718.690   31.558  313.592   7.0958  325.209   7.1609 -11.61716 10.08112 
1 1 1   10   11   35 o  161.128   4.4772  175.971   9.7658  168.003   13.449  184.859   14.204  157.279   6.3102  164.978   6.3532 -7.698761 8.954391 
1 1 1   10   11   36 o   95.995   6.9908   62.626   9.0941   62.626   9.0941   0.0000   0.0000   95.995   6.9908  ?   ?       ?      ? 
1 1 1   10   11   37 o  110.893   6.1742   78.790   8.4146   72.708   9.8236   95.548   16.306  103.427   7.0090  118.360   10.167 -14.93279 12.34845 
1 1 1   10   11   38 o  215.283   5.7122  307.882   15.250  297.349   18.066  333.991   28.443  209.205   6.3725  221.360   9.4820 -12.15456 11.42441 
1 1 1   10   11   39 o  439.973   5.9952  1318.23   35.740  1326.81   50.222  1309.43   50.872  441.445   8.3953  438.502   8.5610 2.943054 11.99048 
1 1 1   10   11   40 o   88.976   6.4065   53.405   7.3754   52.150   9.1094   55.795   12.567   87.546   7.6784   90.406   10.257 -2.859810 12.81296 
1 1 1   10   11   41 o  161.727   5.3255  171.947   11.076  160.060   13.463  196.846   19.484  153.459   6.4738  169.996   8.4578 -16.53737 10.65102 
1 1 1   10   11   42 o  155.098   4.6466  163.811   9.7493  171.365   13.622  155.880   13.959  158.788   6.3307  151.408   6.8033 7.380310 9.293177 
1 1 1   10   11   43 o  385.728   5.5696  1013.06   29.107  1041.02   41.333  985.553   40.997  391.026   7.8002  380.430   7.9523 10.59665 11.13923 
1 1 1   10   11   44 o   66.240   7.4097   31.126   6.3229   37.912   8.7824   23.823   9.1104   74.570   8.6909   57.910   12.003 16.66002 14.81936 
1 1 1   10   11   45 o  178.727   5.6470  222.009   12.973  203.067   21.644  232.630   16.208  172.490   9.2596  184.963   6.4662 -12.47250 11.29392 
1 1 1   10   11   46 o   96.095   6.4733   62.573   8.0434   64.564   13.683   61.522   9.9426   97.152   10.393   95.038   7.7201 2.114433 12.94661 
1 1 1   10   11   47 o  157.754   4.6135  169.348   9.8564  171.234   13.740  167.348   14.147  158.672   6.3901  156.836   6.6562 1.835754 9.227042 
1 1 1   10   11   48 o  155.371   4.6639  164.362   9.8134  168.822   13.765  159.752   13.994  157.530   6.4482  153.211   6.7401 4.318893 9.327830 
1 1 1   10   11   49 o  120.575   4.9834   98.985   8.1196   89.281   11.328  109.240   11.644  114.476   7.3022  126.674   6.7834 -12.19792 9.966751 
1 1 1   10   11   50 o  181.117   4.6197  223.252   11.336  221.088   15.829  225.531   16.241  180.223   6.4812  182.011   6.5848 -1.788727 9.239311 
1 1 1   10   11   51 f  109.674   5.2886   82.381   7.7410   64.892   10.757  101.162   11.148   97.484   8.1431  121.863   6.7504 -24.37904 10.57726 
1 1 1   10   11   52 o  162.189   5.7241  179.161   11.925  181.467   20.479  177.978   14.668  162.765   9.2847  161.612   6.6975 1.152573 11.44827 
1 1 1   10   11   53 o  205.737   5.8097  295.629   15.312  269.622   25.692  309.954   19.068  198.233   9.5639  213.241   6.5986 -15.00766 11.61937 
1 1 1   10   11   54 o  313.880   6.2524  667.157   25.134  700.680   43.784  650.682   30.694  319.119   10.125  308.640   7.3388 10.47955 12.50470 
1 1 1   10   11   55 o  116.287   7.1338   93.579   11.188   85.358   16.080  101.296   15.578  111.200   10.671  121.375   9.4710 -10.17526 14.26761 
1 1 1   10   11   56 o   86.664   6.0170   51.460   7.0599   49.153   9.7381   54.015   10.250   84.623   8.4919   88.705   8.5268 -4.081841 12.03404 
1 1 1   10   11   57 o  109.402   5.3230   81.797   7.8811   76.736   10.849   87.453   11.468  105.821   7.5654  112.982   7.4902 -7.160820 10.64604 
1 1 1   10   11   58 o  211.430   6.6068  305.767   18.929  305.767   18.929   0.0000   0.0000  211.430   6.6068  ?   ?       ?      ? 
1 1 1   10   11   59 o  134.827   5.9477  127.006   10.301  131.108   12.810  119.499   17.327  138.333   6.8334  131.322   9.7367 7.011612 11.89531 
1 1 1   10   11   60 o  114.733   5.1425   90.453   7.9864   95.985   11.359   85.046   11.231  118.242   7.0890  111.224   7.4516 7.017822 10.28491 
1 1 1   10   11   61 o   72.459   6.4124   36.438   6.2857   33.805   8.8359   39.135   8.9438   69.756   9.3474   75.163   8.7808 -5.407097 12.82486 
1 1 1   10   11   62 o  111.710   5.1587   85.974   7.8008   80.696   10.931   91.452   11.136  108.175   7.4567  115.245   7.1306 -7.069870 10.31731 
1 1 1   10   11   63 o   64.078   8.7563   31.323   7.0194   25.008   11.741   34.835   8.7568   57.483   14.936   70.673   9.1434 -13.18991 17.51267 
1 1 1   10   11   64 o   34.832   9.4750   6.5230   6.1478   5.6784   10.268   6.9950   7.6754   35.523   14.168   34.141   12.585 1.381748 18.95004 
1 1 1   10   11   65 o   37.660   8.3530   8.3482   5.4546   0.1848   7.4756   17.643   7.9766   26.700   11.474   48.621   12.143 -21.92155 16.70597 
1 1 1   10   11   66 o   29.963   8.5251   3.4302   5.3212   1.8730   7.2558   5.2422   7.8272   27.830   11.596   32.096   12.500 -4.266724 17.05013 
1 1 1   10   11   67 o   67.161   8.5074   32.564   7.2838   35.859   12.230   30.752   9.0673   68.654   13.626   65.667   10.189 2.986572 17.01476 
1 1 1   10   11   68 o   92.095   6.9601   60.887   8.3089   59.137   13.779   61.888   10.415   90.332   11.257   93.858   8.1889 -3.526169 13.92016 
1 1 1   10   11   69 o   95.306   7.4641   70.395   8.7782   49.796   14.278   82.912   11.130   81.810   12.879  108.802   7.5489 -26.99203 14.92829 
1 1 1   10   11   70 o   59.347   9.3048   25.563   7.2235   37.842   11.814   18.231   9.1290   70.351   12.866   48.343   13.446 22.00793 18.60955 
1 1 1   10   11   71 o   82.967   8.3457   54.398   8.3201   41.680   13.775   61.702   10.439   72.609   14.507   93.326   8.2546 -20.71645 16.69133 
1 1 1   10   11   72 o   34.110   10.104   4.2077   7.8866   5.9944   10.896   2.2418   11.430   35.282   14.405   32.939   14.172 2.342949 20.20740 
1 1 1   10   11   73 o   40.587   10.235   6.4932   8.1649  -5.5678   10.526   24.715   12.938   26.872   12.399   54.303   16.287 -27.43102 20.47001 
1 1 1   10   11   74 o   59.056   14.554   28.411   11.573   28.411   11.573   0.0000   0.0000   59.056   14.554  ?   ?       ?      ? 
1 1 1   10   11   75 o   28.770   12.879  -1.5609   10.335  -1.5609   10.335   0.0000   0.0000   28.770   12.879  ?   ?       ?      ? 
1 1 1   10   11   76 o   37.210   10.622   8.1878   8.3514   10.681   11.325   5.2155   12.365   39.068   15.085   35.353   14.958 3.715183 21.24416 
1 1 1   10   11   77 o   28.607   9.2147  -4.1555   7.9497  -9.0484   10.842   1.5343   11.691   25.217   11.937   31.997   14.041 -6.779873 18.42943 
1 1 1   10   11   78 o   31.298   9.6795   0.0935   8.2757   7.4394   11.080  -9.1747   12.446   35.532   14.519   27.064   12.806 8.468136 19.35896 
1 1 1   10   11   79 o   86.805   13.094   60.569   15.403   0.0000   0.0000   60.569   15.403  ?   ?    86.805   13.094      ?      ? 
1 1 1   10   11   80 o   64.733   15.767   37.739   13.703   0.0000   0.0000   37.739   13.703  ?   ?    64.733   15.767      ?      ? 
1 1 1   10   11   81 o   53.472   11.197   26.996   9.6245   13.931   13.655   39.895   13.568   40.538   16.278   66.406   15.380 -25.86814 22.39457 
1 1 1   10   11   82 o   35.130   10.569   7.9316   8.7950   9.0624   12.881   6.9440   12.038   36.082   15.267   34.178   14.620 1.903591 21.13857 
1 1 1   10   11   83 o   38.025   15.643   12.612   12.974   12.612   12.974   0.0000   0.0000   38.025   15.643  ?   ?       ?      ? 
1 1 1   10   12    0 o  517.205   6.6619  1816.58   46.690  1831.07   65.895  1801.98   66.165  519.282   9.3641  515.127   9.4783 4.155579 13.32385 
1 1 1   10   12    1 o  349.081   6.3846  826.666   28.506  825.266   34.940  829.455   49.297  348.757   7.3929  349.405   10.411 -0.6482849 12.76917 
1 1 1   10   12    2 o  513.910   8.0455  1784.54   52.649  1764.05   64.101  1827.03   92.296  509.686   9.2807  518.134   13.145 -8.448303 16.09102 
1 1 1   10   12    3 o  125.771   5.6845  107.757   9.1307  108.559   11.200  106.166   15.765  126.508   6.5334  125.035   9.3041 1.472832 11.36890 
1 1 1   10   12    4 o  387.761   6.7796  1025.37   33.623  1033.89   41.317  1008.68   57.854  390.311   7.8115  385.212   11.083 5.099579 13.55911 
1 1 1   10   12    5 o  522.541   8.1878  1878.26   55.027  1927.85   68.352  1786.92   92.762  532.768   9.4675  512.314   13.361 20.45367 16.37556 
1 1 1   10   12    6 o  302.714   6.0054  622.665   23.214  623.752   28.432  620.490   40.206  303.211   6.9196  302.216   9.8173 0.9944458 12.01084 
1 1 1   10   12    7 o  342.879   5.2445  798.106   24.357  809.867   34.100  785.855   34.804  345.468   7.2839  340.289   7.5474 5.178680 10.48898 
1 1 1   10   12    8 o  365.241   5.4079  904.534   26.736  967.129   38.412  845.708   37.237  377.498   7.5088  352.985   7.7846 24.51297 10.81583 
1 1 1   10   12    9 o  486.407   6.3835  1604.35   42.034  1551.84   57.884  1662.94   61.142  478.011   8.9358  494.802   9.1185 -16.79111 12.76697 
1 1 1   10   12   10 o  357.965   5.3589  869.865   25.981  907.224   36.875  833.036   36.612  365.609   7.4427  350.320   7.7121 15.28909 10.71775 
1 1 1   10   12   11 o  345.611   6.2488  819.683   24.686  827.071   28.228  795.659   50.902  349.184   5.9655  342.038   10.982 7.146820 12.49767 
1 1 1   10   12   12 o  321.095   6.0716  706.141   22.177  711.193   25.294  689.350   46.113  323.807   5.7643  318.384   10.688 5.423492 12.14321 
1 1 1   10   12   13 o  165.800   5.5884  186.362   10.088  186.170   11.294  187.121   22.440  165.691   5.0300  165.910   9.9810 -0.2194672 11.17684 
1 1 1   10   12   14 o  223.080   5.5420  336.852   13.762  336.069   15.525  339.722   29.739  222.609   5.1463  223.550   9.8167 -0.9412079 11.08390 
1 1 1   10   12   15 o  248.005   5.5372  410.223   15.422  404.534   17.408  430.977   33.252  244.225   5.2598  251.784   9.7455 -7.558838 11.07435 
1 1 1   10   12   16 o  243.313   5.5548  397.149   15.180  393.376   17.153  410.778   32.602  240.830   5.2559  245.796   9.7878 -4.966309 11.10967 
1 1 1   10   12   17 o  155.236   5.5845  160.654   9.5548  158.547   10.711  168.866   21.142  152.892   5.1697  157.580   9.9007 -4.687653 11.16909 
1 1 1   10   12   18 o  600.865   8.6433  2406.69   59.392  2361.70   67.478  2561.35  125.120  589.575   8.4458  612.154   15.083 -22.57880 17.28656 
1 1 1   10   12   19 o  223.838   5.5922  347.280   14.052  352.959   15.980  327.914   29.509  228.115   5.1695  219.561   9.9180 8.554718 11.18437 
1 1 1   10   12   20 o   53.078   9.0028   18.863   5.3962   18.548   5.9936   20.212   12.399   52.243   8.4660   53.913   15.891 -1.670521 18.00569 
1 1 1   10   12   21 o   81.293   7.1311   44.024   6.2102   43.439   6.8958   46.533   14.286   80.000   6.3608   82.586   12.765 -2.585579 14.26213 
1 1 1   10   12   22 o  226.871   5.3772  335.058   13.731  324.155   15.447  376.108   29.972  218.595   5.2145  235.146   9.4056 -16.55098 10.75441 
1 1 1   10   12   23 o  290.817   5.7712  568.266   19.098  562.868   21.696  586.845   40.249  288.020   5.5588  293.615   10.116 -5.595337 11.54232 
1 1 1   10   12   24 o   75.923   7.8331   42.343   6.1250   44.022   6.8898   36.015   13.376   80.529   6.3135   71.318   14.338 9.211037 15.66617 
1 1 1   10   12   25 o  232.714   5.4826  368.559   14.572  369.027   16.624  367.005   30.276  233.217   5.2600  232.212   9.6212 1.005798 10.96514 
1 1 1   10   12   26 o  142.495   5.9602  141.731   10.407  147.067   12.449  129.346   18.966  147.182   6.2414  137.808   10.156 9.374069 11.92037 
1 1 1   10   12   27 o   73.129   8.1426   36.431   7.2059   35.495   8.5844   38.663   13.259   72.233   8.7698   74.025   13.722 -1.792175 16.28527 
1 1 1   10   12   28 o   75.506   13.666   40.191   13.469   0.0000   0.0000   40.191   13.469  ?   ?    75.506   13.666      ?      ? 
1 1 1   10   12   29 o   80.376   7.0505   42.895   6.3480   42.053   7.1499   46.029   13.796   78.682   6.7056   82.069   12.404 -3.387177 14.10093 
1 1 1   10   12   30 o  289.164   5.7833  563.996   19.157  559.897   21.838  577.684   39.903  287.198   5.6111  291.129   10.114 -3.930725 11.56656 
1 1 1   10   12   31 o  205.917   5.5363  292.141   13.001  295.459   14.862  281.325   26.834  208.647   5.2564  203.186   9.7455 5.461258 11.07267 
1 1 1   10   12   32 o  142.679   5.4847  130.410   9.0077  123.816   10.192  153.930   19.250  135.050   5.5693  150.309   9.4505 -15.25923 10.96946 
1 1 1   10   12   33 f  264.522   5.6976  474.566   17.263  473.243   19.700  478.942   35.830  264.024   5.5061  265.021   9.9766 -0.9974060 11.39520 
1 1 1   10   12   34 o  135.849   6.0178  118.110   10.070  108.677   11.770  143.878   19.453  126.448   6.8688  145.249   9.8832 -18.80111 12.03565 
1 1 1   10   12   35 o  301.220   6.9650  616.832   28.431  616.832   28.431   0.0000   0.0000  301.220   6.9650  ?   ?       ?      ? 
1 1 1   10   12   36 o  362.388   6.5240  890.121   30.178  880.203   36.838  910.359   52.622  359.695   7.5575  365.081   10.636 -5.385834 13.04800 
1 1 1   10   12   37 o  120.093   4.9474   98.360   7.9969  112.651   11.397   84.500   11.224  128.739   6.5328  111.448   7.4315 17.29120 9.894717 
1 1 1   10   12   38 o  402.070   5.7219  1098.25   31.136  1175.87   45.211  1028.22   42.944  415.568   8.0282  388.572   8.1554 26.99588 11.44388 
1 1 1   10   12   39 o  208.096   4.6505  294.507   13.109  303.553   18.509  285.403   18.569  211.315   6.4636  204.876   6.6882 6.438583 9.301080 
1 1 1   10   12   40 o  375.787   5.5187  961.582   28.101  963.379   39.471  959.735   40.015  376.157   7.7433  375.416   7.8655 0.7409668 11.03747 
1 1 1   10   12   41 o  130.816   4.9595  116.106   8.7114   95.828   11.960  139.019   12.714  118.650   7.4386  142.982   6.5616 -24.33180 9.919036 
1 1 1   10   12   42 o  116.235   5.0157   91.638   7.8653   80.171   10.815  104.513   11.460  108.522   7.3539  123.947   6.8226 -15.42495 10.03134 
1 1 1   10   12   43 o  175.649   5.6599  214.528   12.776  196.122   21.322  224.839   15.958  169.478   9.2840  181.821   6.4767 -12.34259 11.31987 
1 1 1   10   12   44 o   99.826   6.8650   73.195   8.4993   53.385   14.074   84.569   10.664   88.192   11.776  111.460   7.0600 -23.26755 13.73002 
1 1 1   10   12   45 o  194.818   4.6357  258.267   12.237  263.877   17.329  252.687   17.282  196.936   6.4932  192.700   6.6180 4.236359 9.271469 
1 1 1   10   12   46 o  121.061   5.0406   99.853   8.2476   90.570   11.544  109.532   11.787  115.289   7.3892  126.834   6.8580 -11.54529 10.08126 
1 1 1   10   12   47 o  144.971   4.8121  143.133   9.4534  142.393   13.393  143.869   13.345  144.594   6.8350  145.348   6.7755 -0.7537537 9.624155 
1 1 1   10   12   48 o  196.361   5.7557  267.471   14.477  250.046   24.476  276.847   17.954  191.098   9.4517  201.623   6.5710 -10.52499 11.51140 
1 1 1   10   12   49 o   72.493   8.1571   36.604   7.4123   37.217   12.649   36.283   9.1474   72.205   13.421   72.781   9.2746 -0.5765228 16.31420 
1 1 1   10   12   50 o  179.697   4.6812  219.987   11.394  216.088   15.835  224.174   16.409  178.056   6.5627  181.338   6.6773 -3.282242 9.362384 
1 1 1   10   12   51 o  107.746   5.3072   79.229   7.7399   73.973   10.762   84.859   11.139  104.034   7.6338  111.459   7.3750 -7.424393 10.61437 
1 1 1   10   12   52 o  191.549   4.6736  249.846   12.115  232.932   16.741  268.444   17.555  184.741   6.6871  198.357   6.5310 -13.61629 9.347240 
1 1 1   10   12   53 o   91.308   8.1964   57.164   10.142   0.0000   0.0000   57.164   10.142  ?   ?    91.308   8.1964      ?      ? 
1 1 1   10   12   54 o  167.384   4.8207  191.196   10.922  184.704   15.004  198.513   15.928  164.385   6.7355  170.382   6.8985 -5.997696 9.641331 
1 1 1   10   12   55 o   40.195   9.8659   10.428   6.4298   10.766   8.0723   9.8403   10.635   39.759   13.006   40.630   14.839 -0.8713417 19.73176 
1 1 1   10   12   56 o   94.463   5.6023   61.305   7.1506   55.194   9.9597   67.805   10.273   89.558   8.2065   99.368   7.6287 -9.809258 11.20464 
1 1 1   10   12   57 o  102.145   6.7754   66.863   8.7008   58.726   10.276   87.473   16.354   92.310   8.2147  111.981   10.777 -19.67090 13.55072 
1 1 1   10   12   58 o   99.369   8.0454   69.336   10.817   69.624   14.907   69.014   15.720   99.691   11.034   99.048   11.712 0.6432495 16.09083 
1 1 1   10   12   59 o   60.671   10.354   27.666   8.4312   24.960   12.217   30.127   11.651   57.616   15.365   63.727   13.884 -6.111408 20.70835 
1 1 1   10   12   60 o  128.622   5.0271  113.844   8.7535  110.783   12.057  117.256   12.729  126.824   7.0154  130.420   7.2022 -3.595680 10.05424 
1 1 1   10   12   61 o   71.528   6.4979   35.689   6.2812   32.215   8.7152   39.444   9.0610   67.843   9.4796   75.214   8.8898 -7.371712 12.99582 
1 1 1   10   12   62 o   42.011   9.0509   12.856   5.6477   11.044   7.9051   14.745   8.0717   39.443   12.869   44.580   12.730 -5.136742 18.10170 
1 1 1   10   12   63 o   55.396   9.6751   23.338   7.0022   22.741   11.849   23.657   8.6798   54.292   15.396   56.499   11.721 -2.207474 19.35013 
1 1 1   10   12   64 o  110.348   7.7443   84.874   11.581   0.0000   0.0000   84.874   11.581  ?   ?   110.348   7.7443      ?      ? 
1 1 1   10   12   65 o   77.823   8.2804   46.287   7.7713   39.036   13.318   50.030   9.5692   71.243   14.292   84.404   8.3663 -13.16051 16.56084 
1 1 1   10   12   66 o   77.227   8.1517   43.657   7.7389   44.435   13.610   43.285   9.4078   76.242   13.675   78.213   8.8762 -1.971283 16.30335 
1 1 1   10   12   67 o   76.698   8.8441   48.894   7.9921   30.033   13.114   60.038   10.080   61.053   15.748   92.344   8.0553 -31.29076 17.68819 
1 1 1   10   12   68 o   51.869   9.5980   20.039   6.7509   27.243   10.924   15.588   8.5869   58.858   13.915   44.880   13.223 13.97876 19.19599 
1 1 1   10   12   69 o   77.131   9.1719   44.893   9.3558   40.635   12.530   50.257   14.065   72.479   13.245   81.782   12.691 -9.303688 18.34386 
1 1 1   10   12   70 o   83.322   8.9967   52.589   9.8284   43.767   13.443   62.720   14.406   74.706   13.786   91.938   11.563 -17.23235 17.99348 
1 1 1   10   12   71 o   30.280   9.4323  -0.0955   7.5071   0.3384   10.147  -0.6201   11.158   29.976   13.119   30.585   13.556 -0.6087322 18.86452 
1 1 1   10   12   72 o   73.714   9.8354   42.775   9.4230   38.583   12.599   48.096   14.195   69.615   13.843   77.813   13.975 -8.197342 19.67076 
1 1 1   10   12   73 o   69.378   10.254   37.667   9.4993   27.637   12.473   51.520   14.659   57.258   15.635   81.497   13.273 -24.23973 20.50884 
1 1 1   10   12   74 o   37.629   14.792   9.3042   11.045   9.3042   11.045   0.0000   0.0000   37.629   14.792  ?   ?       ?      ? 
1 1 1   10   12   75 o   40.423   10.767   11.988   8.3563   17.130   11.406   6.0299   12.278   45.241   15.473   35.604   14.977 9.636730 21.53358 
1 1 1   10   12   76 o   31.905   9.9006   1.8615   8.2056   1.3881   11.248   2.4000   11.997   31.205   13.731   32.604   14.267 -1.399086 19.80118 
1 1 1   10   12   77 o   50.101   11.488   22.859   8.9980   25.484   12.410   19.950   13.066   53.164   15.953   47.038   16.535 6.125324 22.97620 
1 1 1   10   12   78 o   38.782   10.961   11.476   8.7179   10.791   12.509   12.122   12.157   38.295   15.509   39.269   15.493 -0.9740028 21.92131 
1 1 1   10   12   79 f   47.520   16.119   21.409   12.377   0.0000   0.0000   21.409   12.377  ?   ?    47.520   16.119      ?      ? 
1 1 1   10   13    0 o  136.064   4.7860  125.595   8.7947  125.097   11.944  126.186   12.998  135.778   6.4911  136.350   7.0348 -0.5722961 9.571992 
1 1 1   10   13    1 o  408.406   8.2650  1132.86   45.742   0.0000   0.0000  1132.86   45.742  ?   ?   408.406   8.2650      ?      ? 
1 1 1   10   13    2 o  135.576   4.8190  125.190   8.8094  130.043   12.020  119.559   12.949  138.437   6.4071  132.714   7.1998 5.722443 9.637902 
1 1 1   10   13    3 o  273.163   4.8423  505.939   17.901  497.436   24.596  515.516   26.102  270.734   6.7040  275.591   6.9892 -4.856995 9.684653 
1 1 1   10   13    4 o  197.680   4.6124  262.415   12.290  236.703   16.407  295.286   18.551  186.765   6.4827  208.596   6.5628 -21.83148 9.224756 
1 1 1   10   13    5 o  213.260   5.8232  311.295   15.915  301.546   27.163  316.391   19.639  210.609   9.5175  215.912   6.7123 -5.302414 11.64637 
1 1 1   10   13    6 o  243.698   5.9870  412.104   18.734  375.289   31.298  432.658   23.386  234.922   9.8313  252.475   6.8354 -17.55241 11.97404 
1 1 1   10   13    7 o  258.374   5.9971  456.336   19.872  444.870   33.924  462.325   24.519  255.771   9.7875  260.976   6.9329 -5.205139 11.99413 
1 1 1   10   13    8 o  320.378   6.3311  687.559   25.895  727.426   45.511  668.473   31.489  326.990   10.271  313.766   7.4058 13.22400 12.66225 
1 1 1   10   13    9 o  284.070   6.8535  547.781   26.383  547.781   26.383   0.0000   0.0000  284.070   6.8535  ?   ?       ?      ? 
1 1 1   10   13   10 o  307.325   5.0650  641.350   21.075  643.232   29.220  639.310   30.427  307.808   7.0052  306.841   7.3175 0.9674377 10.13005 
1 1 1   10   13   11 o  179.979   5.7251  225.125   11.229  228.719   12.631  211.574   24.525  183.631   5.0759  176.327   10.264 7.303482 11.45014 
1 1 1   10   13   12 o   61.244   9.1336   30.855   5.8724   33.773   6.4975   17.842   13.721   70.532   6.7979   51.955   16.955 18.57674 18.26713 
1 1 1   10   13   13 f  281.591   5.8766  549.574   18.781  558.843   21.456  519.197   38.841  287.003   5.5167  276.180   10.378 10.82303 11.75324 
1 1 1   10   13   14 o  345.446   6.2589  806.172   24.548  801.907   27.891  820.832   51.714  343.752   5.9873  347.141   10.993 -3.388428 12.51785 
1 1 1   10   13   15 o  133.358   5.9897  120.094   8.5239  119.602   9.4738  122.185   19.531  132.777   5.2652  133.940   10.760 -1.162384 11.97943 
1 1 1   10   13   16 f  233.968   5.6631  372.719   14.766  373.268   16.681  370.731   31.743  234.563   5.2478  233.373   10.037 1.190445 11.32623 
1 1 1   10   13   17 o  307.335   5.9588  633.943   20.762  627.296   23.545  657.178   44.023  304.037   5.7147  310.633   10.458 -6.596710 11.91760 
1 1 1   10   13   18 o  257.789   5.7135  448.048   16.645  445.110   18.869  458.351   35.339  256.122   5.4366  259.456   10.051 -3.333862 11.42706 
1 1 1   10   13   19 o  349.195   6.6243  826.800   28.903  822.055   34.667  837.618   52.349  347.849   7.3542  350.541   11.020 -2.692139 13.24866 
1 1 1   10   13   20 o  168.867   5.9727  197.911   12.228  203.152   14.481  184.889   22.826  172.986   6.1776  164.749   10.224 8.237381 11.94545 
1 1 1   10   13   21 o  220.693   5.8519  325.563   15.914  317.942   18.811  344.752   29.848  216.385   6.4149  225.002   9.7891 -8.616196 11.70380 
1 1 1   10   13   22 o  312.438   6.1219  682.603   22.078  700.502   25.476  628.596   44.252  321.238   5.8521  303.638   10.755 17.60028 12.24370 
1 1 1   10   13   23 o  140.237   7.0858  135.571   13.296  155.387   18.452  114.172   19.175  151.095   9.0119  129.379   10.937 21.71669 14.17160 
1 1 1   10   13   24 o  193.275   5.4779  252.326   12.027  250.960   13.668  257.014   25.320  192.302   5.2448  194.247   9.6189 -1.944702 10.95588 
1 1 1   10   13   25 o  175.910   5.4313  205.828   10.875  202.098   12.332  218.880   23.069  172.563   5.2733  179.256   9.4967 -6.692764 10.86254 
1 1 1   10   13   26 o  186.206   5.5121  235.248   11.603  234.801   13.170  236.798   24.521  186.000   5.2252  186.411   9.7072 -0.4109955 11.02413 
1 1 1   10   13   27 o  102.557   6.2098   70.426   7.2866   69.424   8.2887   73.835   15.287  101.107   6.0495  104.007   10.847 -2.899162 12.41952 
1 1 1   10   13   28 o  133.360   6.0197  118.255   9.9563  114.300   11.798  128.041   18.558  129.693   6.7128  137.026   9.9943 -7.333023 12.03942 
1 1 1   10   13   29 o  226.896   6.0355  355.983   16.940  364.348   20.319  336.914   30.678  231.567   6.4751  222.224   10.187 9.343460 12.07091 
1 1 1   10   13   30 o  256.680   6.6802  447.777   23.236  447.777   23.236   0.0000   0.0000  256.680   6.6802  ?   ?       ?      ? 
1 1 1   10   13   31 o  224.440   6.5370  342.342   19.882  342.342   19.882   0.0000   0.0000  224.440   6.5370  ?   ?       ?      ? 
1 1 1   10   13   32 o  124.959   6.0885  103.063   8.6844  100.360   9.8417  112.573   18.458  121.546   5.9751  128.372   10.610 -6.826035 12.17706 
1 1 1   10   13   33 o  363.767   6.4727  907.264   27.124  911.893   31.099  892.547   55.452  366.319   6.2647  361.214   11.329 5.104340 12.94532 
1 1 1   10   13   34 o   93.046   7.1228   60.696   7.3896   61.965   8.3948   56.326   15.573   95.476   6.4883   90.617   12.682 4.859627 14.24555 
1 1 1   10   13   35 o   95.704   6.5902   58.072   7.2868   54.428   8.2412   71.130   15.600   89.463   6.7977  101.945   11.292 -12.48267 13.18030 
1 1 1   10   13   36 o  120.913   6.2321   97.107   8.7098   94.831   9.9322  104.682   18.122  118.119   6.2050  123.708   10.810 -5.589470 12.46412 
1 1 1   10   13   37 o  211.501   5.6415  295.893   13.629  288.635   15.456  321.271   28.899  206.130   5.5330  216.872   9.8332 -10.74197 11.28304 
1 1 1   10   13   38 o   68.805   8.3761   28.409   6.6038   24.418   7.4572   42.916   14.217   59.813   9.2002   77.797   14.000 -17.98442 16.75224 
1 1 1   10   13   39 o  145.035   5.8987  144.207   9.7991  144.910   11.206  141.923   20.201  146.033   5.6625  144.038   10.350 1.994705 11.79730 
1 1 1   10   13   40 o  165.150   5.9826  195.866   12.490  154.992   20.550  219.812   15.729  150.535   10.074  179.766   6.4566 -29.23167 11.96521 
1 1 1   10   13   41 f  165.351   5.7289  187.367   12.114  183.581   20.819  189.305   14.894  163.904   9.3732  166.797   6.5895 -2.893204 11.45771 
1 1 1   10   13   42 o  154.627   5.6981  162.898   11.340  163.656   19.357  162.503   13.994  154.741   9.2308  154.513   6.6832 0.2283630 11.39617 
1 1 1   10   13   43 o  105.058   5.3307   75.227   7.5830   75.634   10.961   74.853   10.501  105.318   7.6804  104.798   7.3945 0.5206451 10.66143 
1 1 1   10   13   44 o  237.416   5.8449  381.103   17.771  396.534   30.906  373.481   21.721  240.681   9.4759  234.151   6.8453 6.530197 11.68977 
1 1 1   10   13   45 o  181.023   5.6951  219.921   13.201  235.566   23.116  212.350   16.081  185.501   9.1956  176.544   6.7215 8.956329 11.39020 
1 1 1   10   13   46 o  138.987   4.9083  131.628   9.2184  118.561   12.833  145.558   13.250  131.834   7.1834  146.139   6.6907 -14.30566 9.816670 
1 1 1   10   13   47 o   75.726   6.4517   39.559   6.5377   47.113   9.3082   32.205   9.1844   82.983   8.2774   68.468   9.8987 14.51543 12.90349 
1 1 1   10   13   48 o  112.034   5.1497   85.726   7.8176   84.871   10.963   86.610   11.151  111.469   7.2579  112.599   7.3077 -1.130180 10.29947 
1 1 1   10   13   49 o   84.099   5.9699   48.514   6.7985   50.667   9.6144   46.360   9.6145   85.989   8.2509   82.210   8.6303 3.778923 11.93977 
1 1 1   10   13   50 o  166.626   4.7555  189.458   10.730  184.681   14.831  194.704   15.543  164.439   6.6556  168.814   6.7943 -4.375092 9.510971 
1 1 1   10   13   51 o   37.502   9.4821   8.4090   6.3751   12.208   8.0734   2.1171   10.390   41.750   12.935   33.254   13.868 8.496620 18.96420 
1 1 1   10   13   52 f  165.053   4.7711  186.558   10.660  194.795   15.000  178.152   15.153  168.782   6.5582  161.325   6.9314 7.457138 9.542207 
1 1 1   10   13   53 o   59.846   7.7732   25.674   6.0713   25.882   8.5499   25.462   8.6228   60.122   10.895   59.570   11.090 0.5519676 15.54646 
1 1 1   10   13   54 o   92.491   5.5531   58.938   6.9516   61.549   9.7614   56.250   9.9023   94.615   7.6132   90.367   8.0862 4.248451 11.10622 
1 1 1   10   13   55 o   41.870   8.1810   11.649   5.6909   22.039   7.9394   0.6691   8.1614   55.217   10.997   28.524   12.115 26.69307 16.36198 
1 1 1   10   13   56 o  113.548   6.4306   86.366   9.1801   81.367   10.950   98.187   16.840  108.677   7.4354  118.418   10.494 -9.740616 12.86115 
1 1 1   10   13   57 o   37.679   8.8769   9.5865   5.4272   12.412   7.5698   6.5978   7.7851   41.432   12.466   33.927   12.641 7.504990 17.75379 
1 1 1   10   13   58 o  100.570   5.4882   69.690   7.3997   56.701   10.106   84.705   10.865   90.374   8.2516  110.766   7.2384 -20.39244 10.97647 
1 1 1   10   13   59 o  103.829   5.4175   74.619   7.6141   69.903   10.562   79.723   10.987  100.387   7.7639  107.272   7.5579 -6.884651 10.83510 
1 1 1   10   13   60 o   70.289   8.7093   35.940   7.6674   36.840   13.126   35.474   9.4465   69.675   14.379   70.903   9.8316 -1.227875 17.41868 
1 1 1   10   13   61 o  153.677   6.3315  172.292   12.230  147.082   20.760  185.690   15.134  143.573   10.670  163.780   6.8190 -20.20702 12.66302 
1 1 1   10   13   62 o   44.556   13.310   14.980   8.6528   0.0000   0.0000   14.980   8.6528  ?   ?    44.556   13.310      ?      ? 
1 1 1   10   13   63 o   88.085   11.522   56.389   13.754   0.0000   0.0000   56.389   13.754  ?   ?    88.085   11.522      ?      ? 
1 1 1   10   13   64 o  101.909   6.7591   71.820   8.9653   82.581   15.327   66.223   11.054  106.950   10.575   96.869   8.4204 10.08017 13.51821 
1 1 1   10   13   65 o  107.804   6.8508   84.288   9.4242   80.220   16.032   86.435   11.649  104.722   11.297  110.887   7.7524 -6.165077 13.70150 
1 1 1   10   13   66 o   98.642   7.9938   71.393   10.669   66.259   14.841   76.884   15.349   94.807   11.551  102.476   11.053 -7.669327 15.98765 
1 1 1   10   13   67 o   64.577   9.8078   32.231   8.7099   18.302   11.762   49.143   12.960   47.797   15.703   81.357   11.755 -33.56030 19.61552 
1 1 1   10   13   68 o  105.578   7.8756   81.649   11.049   62.474   14.976  104.552   16.368   91.281   12.107  119.874   10.076 -28.59303 15.75114 
1 1 1   10   13   69 o   56.516   10.917   26.446   8.5756   26.152   11.619   26.798   12.710   56.456   14.951   56.577   15.911 -0.1206017 21.83318 
1 1 1   10   13   70 o   34.812   10.014   4.3683   7.6077  -1.4530   9.9966   12.380   11.727   28.447   12.706   41.178   15.481 -12.73027 20.02772 
1 1 1   10   13   71 o   37.216   9.6034   6.7164   7.7139   18.803   10.279  -8.8645   11.671   47.829   14.557   26.603   12.530 21.22573 19.20683 
1 1 1   10   13   72 o   31.796   9.7428   2.2300   7.7144   2.8464   10.261   1.4285   11.700   31.529   13.493   32.063   14.058 -0.5337677 19.48560 
1 1 1   10   13   73 o   43.398   15.478   15.468   11.488   15.468   11.488   0.0000   0.0000   43.398   15.478  ?   ?       ?      ? 
1 1 1   10   13   74 o   62.807   15.263   34.065   12.864   34.065   12.864   0.0000   0.0000   62.807   15.263  ?   ?       ?      ? 
1 1 1   10   13   75 o   34.139   10.297   5.3630   8.3816   5.1816   11.428   5.5741   12.330   33.651   14.316   34.628   14.804 -0.9769669 20.59366 
1 1 1   10   14    0 o  351.306   6.8495  861.425   30.308  902.666   37.129  779.059   52.471  364.529   7.5161  338.082   11.453 26.44669 13.69901 
1 1 1   10   14    1 o  167.746   6.4713  202.938   12.936  218.093   15.386  166.374   23.898  179.245   6.3341  156.246   11.287 22.99942 12.94267 
1 1 1   10   14    2 o  548.557   7.0041  2047.38   52.047  2023.20   72.465  2073.14   74.803  545.237   9.8075  551.877   10.002 -6.639221 14.00825 
1 1 1   10   14    3 o  354.816   5.4311  855.295   26.097  853.783   36.245  856.923   37.606  354.507   7.5447  355.124   7.8144 -0.6172180 10.86214 
1 1 1   10   14    4 o  324.675   5.2121  714.704   22.899  692.047   31.384  740.498   33.486  319.195   7.2556  330.154   7.4846 -10.95874 10.42413 
1 1 1   10   14    5 o  374.023   5.5467  950.424   28.099  944.383   39.049  956.911   40.464  372.807   7.7294  375.240   7.9575 -2.433075 11.09349 
1 1 1   10   14    6 o   70.563   6.7834   33.616   6.4134   32.186   8.3847   35.631   9.9561   68.789   8.9947   72.338   10.156 -3.549179 13.56675 
1 1 1   10   14    7 f  234.262   4.7560  372.844   15.072  375.923   20.756  369.410   21.921  235.302   6.5092  233.223   6.9361 2.079666 9.512039 
1 1 1   10   14    8 o  131.857   4.9624  117.043   8.8155  108.875   11.721  127.682   13.376  126.616   6.8311  137.099   7.1999 -10.48269 9.924817 
1 1 1   10   14    9 o  230.430   4.7549  360.565   14.819  360.211   20.334  360.965   21.643  230.325   6.5147  230.534   6.9277 -0.2091217 9.509710 
1 1 1   10   14   10 o  211.419   4.7247  303.877   13.503  308.719   18.549  298.417   19.697  213.231   6.4192  209.606   6.9343 3.624649 9.449360 
1 1 1   10   14   11 o  181.306   6.8097  226.411   16.382  238.379   21.451  209.661   25.377  187.221   8.4549  175.390   10.677 11.83131 13.61937 
1 1 1   10   14   12 o  296.289   6.3204  590.846   22.980  582.248   27.141  612.614   43.186  292.781   6.8407  299.797   10.630 -7.016296 12.64077 
1 1 1   10   14   13 o  220.617   6.0886  342.196   16.312  357.582   19.440  305.586   29.987  229.486   6.2510  211.749   10.450 17.73730 12.17722 
1 1 1   10   14   14 o  192.295   5.9441  249.495   13.782  247.121   16.116  255.955   26.587  190.773   6.2340  193.816   10.123 -3.043106 11.88820 
1 1 1   10   14   15 o  128.217   5.9250  102.232   8.2733   96.372   9.1509  128.467   19.361  119.154   5.6672  137.281   10.407 -18.12647 11.85001 
1 1 1   10   14   16 o  147.090   5.9949  151.324   9.5263  154.174   10.694  140.363   20.969  150.727   5.2354  143.454   10.786 7.272858 11.98987 
1 1 1   10   14   17 o  152.858   6.0825  168.005   10.201  175.069   11.587  143.665   21.509  160.609   5.3239  145.107   10.938 15.50197 12.16494 
1 1 1   10   14   18 o  281.886   7.1738  542.028   27.377  550.450   38.080  533.016   39.388  284.197   9.8876  279.575   10.397 4.622162 14.34752 
1 1 1   10   14   19 f  108.359   6.8063   85.458   7.8944   89.353   8.9039   71.146   17.069  114.721   5.7274  101.997   12.349 12.72369 13.61269 
1 1 1   10   14   20 f  257.341   5.9155  468.981   17.256  485.436   19.805  417.118   35.160  267.415   5.4652  247.267   10.493 20.14769 11.83096 
1 1 1   10   14   21 o  167.720   5.6903  185.437   10.586  181.214   11.869  201.863   23.406  163.388   5.3607  172.052   10.039 -8.663559 11.38063 
1 1 1   10   14   22 o  142.331   5.8846  133.212   9.2508  129.972   10.353  146.048   20.606  138.362   5.5215  146.300   10.394 -7.937775 11.76922 
1 1 1   10   14   23 o  298.129   6.1536  593.534   20.325  585.088   22.825  625.877   44.665  293.532   5.7382  302.726   10.888 -9.193909 12.30730 
1 1 1   10   14   24 o  156.338   5.4218  165.943   11.487  165.943   11.487   0.0000   0.0000  156.338   5.4218  ?   ?       ?      ? 
1 1 1   10   14   25 o  289.966   5.6734  570.992   22.293  570.992   22.293   0.0000   0.0000  289.966   5.6734  ?   ?       ?      ? 
1 1 1   10   14   26 o   57.079   9.5733   26.123   6.3558   28.892   7.0734   14.517   14.482   65.149   8.0119   49.008   17.390 16.14100 19.14652 
1 1 1   10   14   27 o  188.905   5.6745  243.867   12.069  244.614   13.695  241.272   25.535  189.806   5.3243  188.005   10.023 1.800644 11.34902 
1 1 1   10   14   28 o  140.024   6.0128  136.814   9.3686  139.374   10.627  127.885   19.848  143.259   5.4740  136.790   10.708 6.468826 12.02565 
1 1 1   10   14   29 o  109.813   6.7479   84.059   8.0931   85.338   9.1111   79.274   17.620  112.070   5.9993  107.556   12.089 4.513268 13.49577 
1 1 1   10   14   30 o  102.037   7.0819   74.798   7.9438   77.710   9.0235   64.769   16.747  106.928   6.2273   97.145   12.721 9.782745 14.16378 
1 1 1   10   14   31 o  157.142   6.0159  173.389   10.819  178.111   12.442  158.747   21.911  161.919   5.6702  152.365   10.612 9.553940 12.03173 
1 1 1   10   14   32 o  183.192   5.7840  230.179   12.100  231.505   13.821  225.826   25.036  184.607   5.5247  181.776   10.163 2.831009 11.56794 
1 1 1   10   14   33 o   91.148   7.4599   61.429   7.5492   65.523   8.6796   48.709   15.298   98.158   6.5252   84.137   13.417 14.02154 14.91975 
1 1 1   10   14   34 o  108.486   6.1698   72.320   7.7870   65.707   8.7928   96.366   16.767   98.286   6.6017  118.687   10.425 -20.40079 12.33950 
1 1 1   10   14   35 o  112.648   6.5940   88.270   8.3845   89.624   9.5566   83.743   17.473  114.812   6.1423  110.485   11.670 4.327065 13.18805 
1 1 1   10   14   36 o   79.549   8.5639   43.943   8.3052   43.668   10.003   44.552   14.902   79.956   9.2316   79.142   14.427 0.8141251 17.12775 
1 1 1   10   14   37 o  177.824   6.0939  214.321   13.709  211.650   16.590  220.073   24.342  176.318   6.9434  179.331   10.017 -3.012970 12.18776 
1 1 1   10   14   38 o  150.507   6.4028  160.008   12.144  170.510   14.970  139.787   20.771  158.234   6.9811  142.781   10.735 15.45383 12.80552 
1 1 1   10   14   39 o   66.354   10.105   32.234   8.5831   34.931   10.617   27.146   14.581   71.332   10.984   61.377   16.965 9.954506 20.21009 
1 1 1   10   14   40 o  229.381   6.1584  360.666   17.866  362.551   21.712  356.714   31.439  230.674   6.9459  228.087   10.171 2.587753 12.31675 
1 1 1   10   14   41 o   74.763   9.0942   40.868   7.3464   42.108   8.3476   36.609   15.471   78.536   7.8435   70.989   16.410 7.547195 18.18838 
1 1 1   10   14   42 o   91.985   8.6690   69.871   8.0339   78.933   9.2581   42.240   16.166  107.649   6.3464   76.322   16.135 31.32622 17.33796 
1 1 1   10   14   43 o  126.355   6.4340  111.666   9.1536  113.540   10.430  105.382   19.099  129.126   5.9603  123.583   11.404 5.542679 12.86793 
1 1 1   10   14   44 o   87.268   7.3985   49.129   8.2494   43.216   9.8917   62.634   14.950   79.356   9.1984   95.181   11.591 -15.82527 14.79706 
1 1 1   10   14   45 o  166.411   4.7496  188.781   10.695  174.826   14.863  203.765   15.401  160.017   6.8543  172.806   6.5769 -12.78935 9.499280 
1 1 1   10   14   46 o  215.193   5.5946  316.508   15.604  314.762   19.398  319.710   26.265  214.694   6.6674  215.692   8.9859 -0.9974823 11.18927 
1 1 1   10   14   47 o  102.022   6.1476   69.100   8.3034   60.834   10.467   83.132   13.638   94.152   8.2037  109.893   9.1580 -15.74048 12.29512 
1 1 1   10   14   48 o   96.804   5.5789   64.262   7.2992   70.821   10.491   58.108   10.162  101.630   7.6173   91.978   8.1532 9.651817 11.15787 
1 1 1   10   14   49 o   51.288   8.3817   19.156   5.7179   17.149   8.2314   21.028   7.9486   48.564   12.449   54.012   11.226 -5.447773 16.76344 
1 1 1   10   14   50 o  115.126   5.1953   90.860   8.0410   76.239   11.101  106.996   11.663  105.305   7.7794  124.947   6.8879 -19.64151 10.39051 
1 1 1   10   14   51 o   91.840   5.5617   58.174   6.9094   54.764   9.8395   61.491   9.7046   89.128   8.1466   94.553   7.5739 -5.425278 11.12344 
1 1 1   10   14   52 o   41.054   8.2265   11.173   5.3787   19.983   7.7675   3.0563   7.4554   52.430   11.268   29.677   11.989 22.75342 16.45300 
1 1 1   10   14   53 o   23.605   7.4341  -3.0101   4.9173  -6.3742   6.9488   0.3643   6.9593   21.036   9.8312   26.173   11.154 -5.137459 14.86825 
1 1 1   10   14   54 o   46.723   9.7776   16.393   6.4956   17.882   7.8825   13.244   11.466   49.265   11.933   44.181   15.492 5.084297 19.55525 
1 1 1   10   14   55 o   47.086   9.7789   15.378   6.3596   12.876   7.7567   20.508   11.108   42.025   12.613   52.148   14.947 -10.12268 19.55776 
1 1 1   10   14   56 o   77.751   6.0406   42.215   6.3460   45.932   8.9902   38.523   8.9592   81.263   8.1638   74.239   8.9054 7.024513 12.08112 
1 1 1   10   14   57 o   56.145   9.4543   22.109   6.8101   30.412   11.880   18.045   8.3113   63.222   14.212   49.068   12.473 14.15359 18.90859 
1 1 1   10   14   58 o   75.536   8.4600   43.739   7.7382   35.814   13.109   47.977   9.5864   68.326   14.601   82.745   8.5493 -14.41922 16.91997 
1 1 1   10   14   59 o   44.830   10.148   14.652   6.6400   16.178   11.809   13.946   8.0297   46.545   15.744   43.115   12.809 3.430180 20.29639 
1 1 1   10   14   60 o   59.415   9.3005   28.677   7.0893   20.386   12.370   32.731   8.6510   50.941   16.049   67.888   9.4035 -16.94676 18.60097 
1 1 1   10   14   61 o   70.630   9.5457   35.594   9.1365   0.0000   0.0000   35.594   9.1365  ?   ?    70.630   9.5457      ?      ? 
1 1 1   10   14   62 o   37.518   12.908   10.066   7.9417   0.0000   0.0000   10.066   7.9417  ?   ?    37.518   12.908      ?      ? 
1 1 1   10   14   63 o   76.547   9.1181   44.300   9.2627   41.890   12.702   47.038   13.536   73.779   13.189   79.315   12.594 -5.535873 18.23616 
1 1 1   10   14   64 o   37.643   10.134   7.4117   7.5995   0.2908   10.374   15.659   11.164   30.392   13.284   44.894   15.308 -14.50210 20.26819 
1 1 1   10   14   65 o   33.540   9.7962   3.2614   7.4882  -2.4672   10.221   9.8996   11.002   28.288   12.725   38.792   14.898 -10.50355 19.59247 
1 1 1   10   14   66 o   56.827   10.105   25.266   8.3839   12.505   11.300   40.893   12.505   41.331   15.264   72.323   13.247 -30.99166 20.21057 
1 1 1   10   14   67 o   70.976   9.5271   39.663   8.9164   42.224   12.172   36.697   13.098   74.828   12.004   67.125   14.798 7.703201 19.05426 
1 1 1   10   14   68 o   52.479   11.004   22.885   8.3204   20.955   10.977   25.491   12.756   50.269   14.986   54.689   16.118 -4.419926 22.00801 
1 1 1   10   14   69 o   42.197   10.626   13.933   7.9740   18.347   10.542   8.0302   12.191   47.064   14.814   37.331   15.238 9.733387 21.25230 
1 1 1   10   14   70 o   28.782   9.1632  -1.6340   7.3766  -2.2227   9.5530  -0.7644   11.609   27.068   12.227   30.495   13.651 -3.426424 18.32635 
1 1 1   10   14   71 o   40.948   10.714   12.343   8.0170   7.2556   10.666   18.948   12.154   35.120   14.286   46.775   15.972 -11.65517 21.42856 
1 1 1   10   14   72 o   47.441   15.059   19.591   10.874   19.591   10.874   0.0000   0.0000   47.441   15.059  ?   ?       ?      ? 
1 1 1   10   15    0 o  205.764   5.5539  287.596   15.118  289.220   24.188  286.556   19.366  206.162   8.6579  205.365   6.9588 0.7965088 11.10780 
1 1 1   10   15    1 o  145.353   5.6356  140.842   10.957  161.368   17.271  127.015   14.175  154.020   8.2749  136.685   7.6529 17.33521 11.27126 
1 1 1   10   15    2 o  129.839   6.0008  116.605   10.374  100.975   15.499  129.289   13.962  121.765   9.3930  137.913   7.4707 -16.14721 12.00163 
1 1 1   10   15    3 o  370.927   6.6879  940.022   32.346  926.269   53.401  947.992   40.652  368.509   10.693  373.344   8.0351 -4.835327 13.37583 
1 1 1   10   15    4 o  268.855   7.2296  491.274   26.340   0.0000   0.0000  491.274   26.340  ?   ?   268.855   7.2296      ?      ? 
1 1 1   10   15    5 o  229.996   4.8330  357.914   15.021  340.493   20.331  378.852   22.289  223.872   6.7015  236.120   6.9658 -12.24873 9.666055 
1 1 1   10   15    6 o  175.625   4.9088  209.406   11.630  207.663   15.687  211.534   17.330  174.837   6.6210  176.413   7.2489 -1.575974 9.817575 
1 1 1   10   15    7 o  365.217   6.9619  910.461   31.729  912.657   38.098  905.490   57.322  366.356   7.6739  364.078   11.618 2.277618 13.92385 
1 1 1   10   15    8 o  146.421   6.9284  155.920   11.707  166.426   13.674  127.071   22.659  156.524   6.4466  136.317   12.266 20.20708 13.85677 
1 1 1   10   15    9 o  150.124   6.6395  158.536   11.693  163.940   13.627  143.452   22.767  155.347   6.4733  144.900   11.594 10.44626 13.27907 
1 1 1   10   15   10 o  230.874   6.1946  361.409   17.526  359.405   20.727  366.438   32.828  229.991   6.6504  231.758   10.453 -1.766312 12.38911 
1 1 1   10   15   11 o  439.990   7.6401  1320.63   42.175  1319.21   50.818  1323.78   75.596  440.226   8.5185  439.755   12.686 0.4714355 15.28028 
1 1 1   10   15   12 o   72.317   11.555   37.456   10.968   37.765   14.483   37.042   16.795   72.803   15.172   71.830   17.431 0.9732666 23.10931 
1 1 1   10   15   13 o   87.500   9.7799   52.205   11.135   40.201   14.731   68.200   17.005   75.192   14.984   99.808   12.573 -24.61637 19.55981 
1 1 1   10   15   14 o  176.786   6.2633  216.033   13.364  219.990   15.749  205.858   25.255  179.937   6.4589  173.636   10.733 6.301102 12.52651 
1 1 1   10   15   15 o  209.920   5.8559  300.610   13.500  301.065   15.170  298.877   29.592  210.589   5.3158  209.250   10.436 1.339340 11.71177 
1 1 1   10   15   16 o   90.462   6.2787   55.599   7.6969   55.599   7.6969   0.0000   0.0000   90.462   6.2787  ?   ?       ?      ? 
1 1 1   10   15   17 o  192.666   5.2658  252.007   13.748  252.007   13.748   0.0000   0.0000  192.666   5.2658  ?   ?       ?      ? 
1 1 1   10   15   18 o  154.849   5.3431  162.802   11.212  162.802   11.212   0.0000   0.0000  154.849   5.3431  ?   ?       ?      ? 
1 1 1   10   15   19 o  196.963   6.0778  279.240   12.971  290.303   14.662  239.394   27.825  206.783   5.2323  187.143   10.972 19.63977 12.15552 
1 1 1   10   15   20 o   78.099   9.6170   53.630   7.2313   60.116   8.0741   27.340   16.256   94.052   6.3350   62.145   18.161 31.90734 19.23403 
1 1 1   10   15   21 o  188.436   5.8212  237.186   12.053  233.969   13.498  249.845   26.777  185.621   5.3662  191.251   10.332 -5.629410 11.64231 
1 1 1   10   15   22 o  201.642   5.8312  276.049   13.054  275.379   14.714  278.526   28.295  201.372   5.3918  201.912   10.341 -0.5396881 11.66240 
1 1 1   10   15   23 o  173.885   5.9095  203.472   11.368  201.645   12.776  210.418   24.910  172.307   5.4715  175.463   10.476 -3.156158 11.81902 
1 1 1   10   15   24 o  198.016   5.8525  263.998   12.999  261.567   14.684  272.802   27.943  196.237   5.5219  199.796   10.321 -3.558838 11.70504 
1 1 1   10   15   25 o  252.077   6.0347  445.845   17.300  457.230   19.832  409.601   35.385  259.431   5.6411  244.723   10.670 14.70796 12.06941 
1 1 1   10   15   26 o  227.898   6.2560  357.589   17.804  363.087   21.464  345.458   31.879  231.031   6.8557  224.764   10.466 6.267487 12.51192 
1 1 1   10   15   27 o  103.564   7.4230   71.210   9.4824   68.337   11.178   78.583   17.907  100.135   8.2376  106.992   12.351 -6.857452 14.84593 
1 1 1   10   15   28 o  222.102   6.1347  331.862   16.978  324.966   20.250  348.181   31.153  218.549   6.8374  225.655   10.188 -7.106201 12.26938 
1 1 1   10   15   29 f  325.523   6.6812  736.011   27.467  759.148   33.574  689.191   47.761  333.891   7.4203  317.156   11.113 16.73471 13.36238 
1 1 1   10   15   30 o   91.759   7.6822   57.448   8.8812   57.051   10.726   58.314   15.839   91.440   8.6559   92.078   12.694 -0.6381912 15.36434 
1 1 1   10   15   31 o  167.393   6.2601  195.962   13.101  204.149   15.927  178.828   23.041  173.193   6.7859  161.594   10.522 11.59940 12.52027 
1 1 1   10   15   32 o  237.152   6.1762  386.925   18.446  392.107   22.380  375.948   32.572  239.990   6.8816  234.315   10.258 5.675385 12.35241 
1 1 1   10   15   33 o   79.695   7.9211   41.134   7.3573   38.948   8.3725   48.544   15.415   75.552   8.1776   83.837   13.568 -8.285110 15.84215 
1 1 1   10   15   34 o  131.671   7.1469  127.904   11.478  144.400   14.104   95.551   19.753  145.576   7.1496  117.765   12.377 27.81104 14.29376 
1 1 1   10   15   35 o  204.546   6.0787  279.269   15.647  268.621   18.740  303.774   28.430  198.555   6.9647  210.536   9.9647 -11.98033 12.15742 
1 1 1   10   15   36 o  148.387   6.5051  162.472   10.594  172.247   12.106  130.512   21.891  159.136   5.6138  137.638   11.737 21.49799 13.01021 
1 1 1   10   15   37 o   90.578   8.9280   69.327   8.0952   79.533   9.3550   38.903   16.151  108.058   6.3886   73.098   16.674 34.95992 17.85597 
1 1 1   10   15   38 o  217.324   5.7774  314.638   14.278  307.895   16.176  338.420   30.378  212.710   5.6119  221.937   10.101 -9.227325 11.55486 
1 1 1   10   15   39 o  110.435   6.6197   79.881   8.4922   76.506   9.6702   91.255   17.755  105.909   6.7378  114.962   11.397 -9.053284 13.23931 
1 1 1   10   15   40 o   47.885   9.5153   18.312   6.6478   22.796   7.6538   4.5378   13.415   56.685   10.345   39.086   15.973 17.59939 19.03057 
1 1 1   10   15   41 o   98.014   7.1950   66.179   8.0749   66.144   9.2265   66.295   16.692   98.408   6.9187   97.619   12.618 0.7886658 14.39005 
1 1 1   10   15   42 o   89.784   7.2745   55.140   8.8508   55.140   8.8508   0.0000   0.0000   89.784   7.2745  ?   ?       ?      ? 
1 1 1   10   15   43 o   85.753   7.4283   50.357   8.6323   50.357   8.6323   0.0000   0.0000   85.753   7.4283  ?   ?       ?      ? 
1 1 1   10   15   44 o  116.490   6.3317   88.690   8.7350   83.990   10.022  103.542   17.815  110.824   6.6736  122.155   10.762 -11.33057 12.66330 
1 1 1   10   15   45 o  126.547   6.3618  111.744   9.2398  112.924   10.599  108.011   18.858  128.565   6.0837  124.528   11.175 4.037628 12.72352 
1 1 1   10   15   46 o   78.004   7.8565   38.439   7.1782   34.901   8.1373   50.850   15.240   71.160   8.4384   84.848   13.255 -13.68730 15.71295 
1 1 1   10   15   47 o   87.516   7.3770   51.940   7.5267   50.597   8.6233   56.239   15.423   85.801   7.4166   89.231   12.754 -3.430458 14.75397 
1 1 1   10   15   48 o  112.406   6.6908   91.050   8.6421   94.325   9.9943   81.344   17.206  117.336   6.2855  107.475   11.814 9.861099 13.38161 
1 1 1   10   15   49 o   81.769   7.8336   44.656   8.0906   40.881   9.6469   53.607   14.855   76.674   9.2845   86.864   12.620 -10.18994 15.66711 
1 1 1   10   15   50 o   49.848   9.6746   19.806   6.9070   24.084   8.3484   10.525   12.296   57.587   11.100   42.109   15.849 15.47826 19.34924 
1 1 1   10   15   51 o  125.886   6.9139  119.390   10.485  133.309   12.757   90.413   18.407  139.137   6.7661  112.635   12.059 26.50169 13.82786 
1 1 1   10   15   52 o   77.722   8.4975   44.485   7.9970   45.827   9.7059   41.647   14.112   81.031   8.8390   74.413   14.516 6.618736 16.99496 
1 1 1   10   15   53 o   50.309   11.429   19.094   8.9014   21.483   12.152   16.328   13.075   52.968   15.762   47.650   16.553 5.317234 22.85712 
1 1 1   10   15   54 o   98.818   6.6751   66.997   8.4376   74.372   14.881   63.503   10.243  102.158   10.749   95.479   7.9168 6.678658 13.35019 
1 1 1   10   15   55 o   67.965   9.2450   40.081   7.5459   20.960   13.252   49.256   9.1794   51.977   16.637   83.952   8.0686 -31.97540 18.48999 
1 1 1   10   15   56 o   36.309   9.7213   4.1438   6.2935   16.493   11.990  -0.5529   7.3941   46.850   15.864   25.767   11.240 21.08233 19.44263 
1 1 1   10   15   57 f   81.111   7.5605   47.751   7.7598   46.308   13.475   48.467   9.4915   79.275   12.544   82.947   8.4440 -3.672142 15.12104 
1 1 1   10   15   58 o   52.587   9.3629   22.602   6.7223   15.617   11.179   26.560   8.4137   45.327   15.318   59.846   10.771 -14.51935 18.72589 
1 1 1   10   15   59 o   64.078   14.538   32.450   12.334   0.0000   0.0000   32.450   12.334  ?   ?    64.078   14.538      ?      ? 
1 1 1   10   15   60 o   29.813   13.128  -0.5195   10.301   0.0000   0.0000  -0.5195   10.301  ?   ?    29.813   13.128      ?      ? 
1 1 1   10   15   61 o   34.939   9.9972   6.0760   7.3532   7.2072   9.9349   4.7057   10.935   35.557   14.013   34.321   14.263 1.235489 19.99444 
1 1 1   10   15   62 o   32.025   9.5510   3.0872   7.1168   4.6277   9.9537   1.4760   10.180   33.146   13.677   30.904   13.335 2.242125 19.10200 
1 1 1   10   15   63 o   46.531   10.425   16.876   7.7381   10.029   10.779   24.159   11.116   38.640   14.768   54.423   14.718 -15.78283 20.84970 
1 1 1   10   15   64 o   69.218   9.6783   37.968   8.7478   36.410   12.038   39.712   12.734   67.754   13.584   70.681   13.789 -2.927872 19.35662 
1 1 1   10   15   65 o   26.867   8.6793  -3.9004   7.0235  -4.7729   9.5644  -2.8793   10.347   25.768   11.865   27.967   12.671 -2.199488 17.35860 
1 1 1   10   15   66 o   39.977   10.575   10.836   7.8313   6.0569   10.373   17.172   11.943   34.305   14.036   45.649   15.822 -11.34388 21.15044 
1 1 1   10   15   67 o   52.875   10.064   21.466   8.3203   7.6911   11.051   39.496   12.643   36.046   14.584   69.704   13.872 -33.65802 20.12815 
1 1 1   10   15   68 o   26.993   12.166  -1.8294   9.3950  -1.8294   9.3950   0.0000   0.0000   26.993   12.166  ?   ?       ?      ? 
1 1 1   10   16    0 o   82.906   8.2099   47.467   9.1005   50.401   12.165   43.738   13.714   85.918   10.448   79.895   12.667 6.023438 16.41987 
1 1 1   10   16    1 o  101.495   6.7644   64.737   8.7254   55.620   10.386   86.605   16.086   90.373   8.4807  112.616   10.541 -22.24285 13.52873 
1 1 1   10   16    2 o  123.811   5.4057  104.825   8.9895  108.826   12.080   99.859   13.458  126.510   7.0460  121.111   8.2001 5.399361 10.81144 
1 1 1   10   16    3 o  190.684   4.8949  247.387   12.609  249.580   17.212  244.847   18.525  191.624   6.6283  189.744   7.2044 1.879410 9.789706 
1 1 1   10   16    4 o  289.154   5.1441  569.222   20.132  582.536   28.000  554.972   28.968  292.690   7.0593  285.619   7.4842 7.071564 10.28819 
1 1 1   10   16    5 o  222.400   4.9606  336.463   14.896  337.903   20.246  334.764   21.995  222.954   6.7009  221.846   7.3164 1.107391 9.921245 
1 1 1   10   16    6 o   79.487   9.3656   43.084   10.088   43.084   10.088   0.0000   0.0000   79.487   9.3656  ?   ?       ?      ? 
1 1 1   10   16    7 o  339.880   7.7969  789.794   35.899  816.117   50.913  763.768   50.625  345.554   10.873  334.205   11.178 11.34851 15.59373 
1 1 1   10   16    8 o  114.748   6.9060   91.740   9.7754   94.620   11.729   85.188   17.689  117.936   7.3389  111.561   11.701 6.375549 13.81194 
1 1 1   10   16    9 o  201.277   5.8538  269.262   14.770  259.010   17.632  293.385   27.046  195.190   6.6660  207.365   9.6246 -12.17503 11.70763 
1 1 1   10   16   10 o  192.185   4.9242  250.254   12.757  242.637   17.073  259.881   19.195  188.916   6.6688  195.455   7.2468 -6.538361 9.848354 
1 1 1   10   16   11 o  184.927   6.4040  239.444   14.298  247.603   16.929  219.138   26.706  190.848   6.5457  179.006   11.009 11.84152 12.80801 
1 1 1   10   16   12 o  123.326   6.7003  102.396   8.6717  101.605   9.5833  105.970   20.372  122.298   5.7825  124.354   12.089 -2.055962 13.40061 
1 1 1   10   16   13 o  173.610   6.0813  208.656   11.415  210.864   12.790  200.012   25.306  176.212   5.3559  171.009   10.920 5.202301 12.16254 
1 1 1   10   16   14 o  248.667   5.9757  414.580   16.480  409.650   18.525  433.283   36.081  245.580   5.5665  251.754   10.576 -6.174286 11.95133 
1 1 1   10   16   15 o  184.845   6.0902  235.604   12.396  237.592   13.969  228.238   26.888  187.027   5.5115  182.663   10.862 4.364639 12.18047 
1 1 1   10   16   16 o  116.490   7.6551  106.991   9.1417  117.006   10.345   71.308   19.527  131.227   5.8176  101.752   14.162 29.47537 15.31018 
1 1 1   10   16   17 o  110.324   6.9440   79.874   8.3608   77.739   9.3140   88.732   18.972  106.929   6.4277  113.719   12.311 -6.790260 13.88807 
1 1 1   10   16   18 o   72.146   9.5257   38.377   6.9525   39.466   7.6883   33.494   16.286   76.140   7.4513   68.151   17.534 7.989189 19.05133 
1 1 1   10   16   19 o  148.935   6.6135  162.627   10.454  170.436   11.771  133.454   22.750  158.395   5.4838  139.475   12.037 18.92084 13.22704 
1 1 1   10   16   20 o  291.248   6.1876  574.985   20.169  572.186   22.790  585.094   43.315  290.170   5.7958  292.327   10.934 -2.156769 12.37521 
1 1 1   10   16   21 o  207.219   6.0063  294.630   13.710  295.949   15.436  289.703   29.833  208.715   5.4576  205.723   10.701 2.991821 12.01257 
1 1 1   10   16   22 o  104.299   7.5163   78.980   8.2617   81.964   9.2559   67.286   18.324  109.791   6.2211   98.807   13.685 10.98335 15.03255 
1 1 1   10   16   23 o  211.620   6.0363  316.848   14.201  326.016   16.150  285.592   29.821  219.048   5.4407  204.192   10.777 14.85606 12.07254 
1 1 1   10   16   24 o   79.898   8.8150   44.603   7.3476   44.585   8.2088   44.679   16.479   80.899   7.4878   78.897   15.961 2.001442 17.62994 
1 1 1   10   16   25 o   95.709   7.8837   68.956   7.9715   73.380   9.0108   53.025   17.098  103.855   6.4025   87.563   14.409 16.29247 15.76738 
1 1 1   10   16   26 o  122.993   6.8270  105.520   9.1111  106.949   10.231  100.047   20.025  125.401   6.0207  120.585   12.255 4.816536 13.65392 
1 1 1   10   16   27 f  105.012   7.7447   85.125   8.5132   92.089   9.6527   60.742   18.061  116.349   6.1222   93.675   14.228 22.67342 15.48931 
1 1 1   10   16   28 o   47.550   10.915   11.564   7.7466   6.0018   9.1651   25.478   14.495   35.493   13.605   59.608   17.072 -24.11438 21.83033 
1 1 1   10   16   29 o  178.789   6.4415  227.764   14.192  242.739   17.194  195.751   25.140  188.782   6.7211  168.795   10.991 19.98676 12.88292 
1 1 1   10   16   30 o   96.188   7.0392   58.588   7.8422   54.540   8.8710   73.068   16.777   89.428   7.3201  102.947   12.026 -13.51860 14.07834 
1 1 1   10   16   31 o  143.229   5.9947  136.153   9.8040  132.758   11.118  148.023   20.791  139.670   5.8740  146.788   10.452 -7.117599 11.98950 
1 1 1   10   16   32 o   90.283   7.1151   50.067   7.5268   44.964   8.5169   68.270   16.085   81.136   7.7461   99.431   11.937 -18.29534 14.23025 
1 1 1   10   16   33 o   86.731   7.5454   50.187   7.5830   48.750   8.6516   54.949   15.751   84.481   7.5572   88.982   13.062 -4.501587 15.09082 
1 1 1   10   16   34 f  152.566   6.1054  159.618   10.518  159.733   11.947  159.223   22.178  153.158   5.7562  151.974   10.769 1.184204 12.21070 
1 1 1   10   16   35 o  169.875   5.8890  195.067   11.394  192.869   12.950  202.602   23.977  168.282   5.6786  171.468   10.319 -3.185257 11.77805 
1 1 1   10   16   36 o   39.726   10.516   7.8489   6.4119   7.0561   7.1617   11.052   14.394   34.244   12.220   45.208   17.116 -10.96405 21.03105 
1 1 1   10   16   37 o  140.697   5.9549  134.988   11.354  134.988   11.354   0.0000   0.0000  140.697   5.9549  ?   ?       ?      ? 
1 1 1   10   16   38 o   87.355   7.3907   52.248   8.7489   52.248   8.7489   0.0000   0.0000   87.355   7.3907  ?   ?       ?      ? 
1 1 1   10   16   39 o   74.669   8.9313   42.779   7.3386   45.821   8.4942   33.824   14.573   81.742   7.6682   67.596   16.133 14.14597 17.86261 
1 1 1   10   16   40 o   35.389   9.1826   7.1047   6.1615   11.482   7.0948  -6.3267   12.428   40.253   12.058   30.524   13.852 9.729061 18.36529 
1 1 1   10   16   41 o   38.260   9.9241   8.7729   6.1658   9.6706   7.0439   5.8307   12.752   37.552   12.141   38.968   15.702 -1.416702 19.84811 
1 1 1   10   16   42 o   45.515   9.2167   16.638   6.3149   21.133   7.3004   3.2804   12.586   54.290   10.300   36.740   15.287 17.55020 18.43334 
1 1 1   10   16   43 o   57.672   8.6602   15.559   6.5859   5.5474   7.5259   48.293   13.608   32.553   12.364   82.792   12.129 -50.23935 17.32031 
1 1 1   10   16   44 o  117.149   6.3711   91.803   8.7502   88.579   10.029  102.085   17.908  113.639   6.5124  120.659   10.952 -7.020050 12.74230 
1 1 1   10   16   45 o   58.184   9.6994   23.919   6.6802   22.828   7.6545   27.407   13.683   56.282   10.420   60.086   16.363 -3.804478 19.39883 
1 1 1   10   16   46 f   74.267   8.3950   38.330   7.0017   37.092   7.9960   42.399   14.498   73.194   8.0615   75.339   14.728 -2.144783 16.79008 
1 1 1   10   16   47 o  102.181   7.1181   77.588   8.2410   81.814   9.5340   65.101   16.389  109.070   6.4504   95.293   12.691 13.77708 14.23629 
1 1 1   10   16   48 o   96.984   8.6568   67.500   11.304   77.050   16.178   58.390   15.801  104.017   11.477   89.950   12.963 14.06698 17.31369 
1 1 1   10   16   49 o  102.795   8.3540   75.867   11.615   79.814   16.278   71.774   16.578  105.734   11.361   99.855   12.251 5.879639 16.70802 
1 1 1   10   16   50 o   93.348   8.7133   63.239   10.978   67.880   15.325   58.346   15.735   97.199   11.635   89.497   12.974 7.701782 17.42665 
1 1 1   10   16   51 o   70.813   9.0632   34.045   8.1997   26.134   10.023   50.056   14.259   58.814   12.928   82.812   12.706 -23.99866 18.12644 
1 1 1   10   16   52 o   89.835   7.6721   56.463   8.9237   53.005   10.966   63.243   15.355   86.528   9.3518   93.143   12.165 -6.615044 15.34415 
1 1 1   10   16   53 o   79.389   8.3343   44.991   8.5185   42.916   10.439   49.126   14.736   77.518   9.9378   81.260   13.382 -3.741920 16.66860 
1 1 1   10   16   54 o   72.785   8.9042   38.864   8.0066   37.361   9.6938   42.092   14.203   72.227   9.9041   73.343   14.800 -1.116005 17.80845 
1 1 1   10   16   55 o   34.369   13.801   5.7806   9.8149   5.7806   9.8149   0.0000   0.0000   34.369   13.801  ?   ?       ?      ? 
1 1 1   10   16   56 o   88.177   8.5823   57.293   9.6420   39.945   12.899   79.257   14.515   71.673   13.781  104.681   10.232 -33.00771 17.16458 
1 1 1   10   16   57 o   39.373   14.732   10.562   10.594   0.0000   0.0000   10.562   10.594  ?   ?    39.373   14.732      ?      ? 
1 1 1   10   16   58 o   47.694   15.301   18.252   11.204   0.0000   0.0000   18.252   11.204  ?   ?    47.694   15.301      ?      ? 
1 1 1   10   16   59 o   69.549   9.1985   37.140   8.4298   29.753   11.553   45.552   12.328   60.894   14.252   78.203   11.633 -17.30935 18.39698 
1 1 1   10   16   60 o   38.074   10.238   9.7248   7.3234   8.2722   10.334   11.191   10.380   36.618   14.334   39.530   14.623 -2.912647 20.47683 
1 1 1   10   16   61 o   53.504   9.8381   22.802   7.8821   36.032   11.398   10.675   10.912   67.844   12.868   39.164   14.885 28.68044 19.67629 
1 1 1   10   16   62 o   45.148   9.5442   14.244   7.4774   1.1372   10.304   28.822   10.868   30.499   13.287   59.798   13.704 -29.29928 19.08830 
1 1 1   10   16   63 o   40.343   10.223   11.510   7.3769   5.7102   10.004   18.423   10.922   33.642   13.776   47.043   15.108 -13.40129 20.44610 
1 1 1   10   17    0 o   56.891   12.013   16.260   12.029  -5.0897   16.160   42.791   18.015   36.788   16.309   76.995   17.644 -40.20683 24.02664 
1 1 1   10   17    1 o  186.436   7.6864  236.005   19.344  214.027   26.066  262.946   28.859  176.849   10.877  196.023   10.864 -19.17363 15.37286 
1 1 1   10   17    2 o  127.319   7.1345  110.988   11.563  110.173   20.115  111.391   14.131  126.781   11.708  127.858   8.1560 -1.077461 14.26898 
1 1 1   10   17    3 o  113.998   5.8529   88.285   9.0066   85.556   12.136   91.632   13.438  112.065   7.9912  115.930   8.5538 -3.865425 11.70586 
1 1 1   10   17    4 o  131.948   5.4726  117.588   9.7386  108.759   13.017  128.811   14.677  126.382   7.6006  137.515   7.8758 -11.13345 10.94521 
1 1 1   10   17    5 o  117.834   6.5456   93.698   10.392  106.386   15.714   83.834   13.855  124.841   9.2883  110.827   9.2254 14.01382 13.09126 
1 1 1   10   17    6 o  173.905   6.1215  209.080   13.429  214.289   16.366  198.348   23.492  177.480   6.8048  170.329   10.178 7.150970 12.24296 
1 1 1   10   17    7 o  174.230   5.1223  208.629   11.976  229.640   16.431  184.816   17.492  183.747   6.5986  164.713   7.8365 19.03386 10.24466 
1 1 1   10   17    8 o  161.377   5.0890  177.411   11.068  178.708   14.925  175.828   16.498  162.072   6.7957  160.682   7.5769 1.390610 10.17797 
1 1 1   10   17    9 o   62.425   8.7797   28.628   7.0833   33.754   9.2245   21.263   11.057   70.286   9.6848   54.563   14.647 15.72263 17.55938 
1 1 1   10   17   10 o  160.070   5.1711  176.030   11.113  192.257   15.220  157.499   16.265  168.108   6.6810  152.033   7.8946 16.07460 10.34220 
1 1 1   10   17   11 o  124.948   7.3394  107.282   10.842  107.769   12.589  105.886   21.334  125.801   7.3844  124.095   12.686 1.706047 14.67887 
1 1 1   10   17   12 o  214.545   6.2242  330.213   14.619  342.612   16.574  286.765   31.025  224.556   5.4464  204.533   11.194 20.02304 12.44834 
1 1 1   10   17   13 o  268.276   6.1368  487.400   18.220  484.669   20.498  497.678   39.767  267.046   5.6641  269.507   10.888 -2.460419 12.27362 
1 1 1   10   17   14 o  168.474   6.1457  188.879   11.162  185.816   12.413  201.820   25.514  165.357   5.5393  171.591   10.972 -6.234039 12.29132 
1 1 1   10   17   15 o  108.656   7.7308   86.641   8.7032   90.222   9.7145   72.080   19.590  115.173   6.2242  102.138   14.154 13.03513 15.46167 
1 1 1   10   17   16 o  304.741   6.3063  639.562   21.736  643.989   24.740  624.579   45.512  307.748   5.9323  301.735   11.130 6.012817 12.61270 
1 1 1   10   17   17 o  229.164   6.1950  373.469   15.779  385.564   17.961  332.575   33.027  238.166   5.5651  220.162   11.070 18.00389 12.39007 
1 1 1   10   17   18 o  204.380   6.0076  282.366   13.577  280.321   15.264  290.113   29.708  203.070   5.5468  205.691   10.658 -2.620300 12.01513 
1 1 1   10   17   19 o  209.492   5.9368  290.767   13.787  284.448   15.461  315.293   30.460  204.547   5.5778  214.438   10.482 -9.891769 11.87360 
1 1 1   10   17   20 o   45.263   9.6669   15.963   6.6881   20.318   7.4426  -2.3075   15.245   53.508   10.639   37.018   16.144 16.49073 19.33388 
1 1 1   10   17   21 f  108.389   7.2380   70.723   9.4904   60.423   10.872  103.691   19.452   94.038   8.5316  122.740   11.695 -28.70143 14.47596 
1 1 1   10   17   22 o  145.866   6.8460  152.648   11.851  161.102   13.988  131.144   22.310  153.782   6.7120  137.951   11.934 15.83095 13.69208 
1 1 1   10   17   23 o   48.157   10.069   17.856   7.4512   23.123   8.6400   2.5687   14.719   56.951   11.589   39.362   16.468 17.58899 20.13753 
1 1 1   10   17   24 f   54.833   10.136   21.496   6.5727   21.826   7.3449   20.168   14.726   55.553   10.130   54.112   17.560 1.441341 20.27246 
1 1 1   10   17   25 o  138.305   6.5453  137.731   9.8086  142.621   11.078  119.995   21.100  144.771   5.6469  131.840   11.810 12.93088 13.09059 
1 1 1   10   17   26 o  128.925   6.3403  107.834   9.1078  103.534   10.195  124.832   20.270  123.289   6.1021  134.561   11.116 -11.27217 12.68061 
1 1 1   10   17   27 o  123.463   6.6926  107.216   9.0728  109.138   10.245  100.226   19.536  126.580   5.9724  120.346   11.979 6.233177 13.38520 
1 1 1   10   17   28 o   62.888   9.9873   27.062   6.9253   26.433   7.6929   29.748   15.905   62.056   9.1480   63.721   17.757 -1.664837 19.97455 
1 1 1   10   17   29 o   74.289   8.8148   36.076   7.1536   33.935   8.0174   44.435   15.843   70.363   8.4083   78.215   15.495 -7.851852 17.62967 
1 1 1   10   17   30 o  127.645   6.4069  104.400   9.1356   99.064   10.214  125.743   20.427  120.509   6.2546  134.780   11.184 -14.27111 12.81386 
1 1 1   10   17   31 o  131.730   6.0725  118.368   10.840  118.368   10.840   0.0000   0.0000  131.730   6.0725  ?   ?       ?      ? 
1 1 1   10   17   32 o  103.816   6.7924   73.675   9.5559   73.675   9.5559   0.0000   0.0000  103.816   6.7924  ?   ?       ?      ? 
1 1 1   10   17   33 o  100.992   7.8610   78.230   8.5388   84.312   9.7573   58.337   17.646  111.075   6.4823   90.909   14.324 20.16622 15.72209 
1 1 1   10   17   34 o  145.266   6.3661  149.973   10.519  154.087   12.075  137.024   21.420  150.233   5.9311  140.299   11.266 9.933990 12.73223 
1 1 1   10   17   35 o   91.152   8.1780   63.769   7.9771   68.534   9.2071   49.425   15.976  100.045   6.7911   82.259   14.879 17.78628 16.35597 
1 1 1   10   17   36 o  141.466   6.0456  131.114   9.8340  125.354   11.145  151.374   20.901  135.411   6.0734  147.520   10.455 -12.10947 12.09117 
1 1 1   10   17   37 o   66.194   8.9960   28.284   6.8870   25.255   7.8425   38.492   14.397   60.338   9.5914   72.051   15.222 -11.71239 17.99209 
1 1 1   10   17   38 f  123.125   6.2644   95.992   8.9289   88.571   10.087  122.852   19.191  113.663   6.5489  132.586   10.681 -18.92264 12.52889 
1 1 1   10   17   39 o  112.161   6.8871   91.371   8.7106   94.808   10.000   80.564   17.732  117.612   6.2746  106.712   12.262 10.90002 13.77418 
1 1 1   10   17   40 o   38.919   10.087   7.2571   6.1926   4.7576   7.1113   15.099   12.596   31.010   11.959   46.828   16.248 -15.81886 20.17466 
1 1 1   10   17   41 f   95.847   7.0486   62.900   7.8393   61.593   8.9747   67.109   16.103   94.571   7.0029   97.122   12.235 -2.550194 14.09720 
1 1 1   10   17   42 o  131.935   6.0361  110.112   9.3586  100.316   10.630  143.867   19.733  120.773   6.4951  143.098   10.176 -22.32500 12.07223 
1 1 1   10   17   43 o   90.493   7.9540   59.089   9.1670   61.182   11.336   55.134   15.583   93.613   8.9359   87.373   13.161 6.240349 15.90799 
1 1 1   10   17   44 o   40.695   10.828   7.6663   9.0186  -3.9193   13.145   17.970   12.396   32.205   14.464   49.184   16.119 -16.97876 21.65678 
1 1 1   10   17   45 o   88.919   9.2974   57.581   11.194   57.556   15.522   57.608   16.158   89.031   12.865   88.807   13.426 0.2243423 18.59489 
1 1 1   10   17   46 o   43.782   9.6682   7.0518   8.5014   29.607   12.424 -12.8094   11.658   61.864   14.979   25.700   12.228 36.16360 19.33631 
1 1 1   10   17   47 o   63.152   9.8239   31.527   7.9878   34.794   9.8631   25.300   13.617   69.816   10.425   56.488   16.654 13.32785 19.64784 
1 1 1   10   17   48 o   43.172   10.346   13.866   7.5305   17.934   9.3695   6.4438   12.656   48.343   13.684   38.000   15.521 10.34348 20.69194 
1 1 1   10   17   49 o   47.650   10.699   15.432   7.4310   11.017   8.9703   25.090   13.266   39.421   13.710   55.879   16.428 -16.45805 21.39717 
1 1 1   10   17   50 o   96.927   8.4635   66.334   11.117   66.334   11.117   0.0000   0.0000   96.927   8.4635  ?   ?       ?      ? 
1 1 1   10   17   51 o   35.623   13.150   8.2744   8.3848   8.2744   8.3848   0.0000   0.0000   35.623   13.150  ?   ?       ?      ? 
1 1 1   10   17   52 o   46.153   13.148   16.549   8.6206   16.549   8.6206   0.0000   0.0000   46.153   13.148  ?   ?       ?      ? 
1 1 1   10   17   53 o   38.305   13.009   10.767   8.0629   10.767   8.0629   0.0000   0.0000   38.305   13.009  ?   ?       ?      ? 
1 1 1   10   17   54 o   42.495   16.237   12.640   13.028   12.640   13.028   0.0000   0.0000   42.495   16.237  ?   ?       ?      ? 
1 1 1   10   17   55 o   28.304   13.159  -7.2282   12.195  -7.2282   12.195   0.0000   0.0000   28.304   13.159  ?   ?       ?      ? 
1 1 1   10   17   56 o   51.943   17.340   22.904   14.322   22.904   14.322   0.0000   0.0000   51.943   17.340  ?   ?       ?      ? 
1 1 1   10   17   57 o   36.798   13.074   9.7930   8.1881   9.7930   8.1881   0.0000   0.0000   36.798   13.074  ?   ?       ?      ? 
1 1 1   10   17   58 o   39.489   13.131   12.002   8.2161   12.002   8.2161   0.0000   0.0000   39.489   13.131  ?   ?       ?      ? 
1 1 1   10   17   59 o   35.437   12.876   8.9315   7.9925   8.9315   7.9925   0.0000   0.0000   35.437   12.876  ?   ?       ?      ? 
1 1 1   10   18    0 o   50.041   9.6584   18.334   7.1186   24.848   9.3886   9.5245   10.918   59.054   12.138   41.028   15.027 18.02629 19.31672 
1 1 1   10   18    1 o  162.577   5.2553  180.528   11.527  184.674   15.693  175.671   16.988  164.658   7.0332  160.496   7.8108 4.161835 10.51062 
1 1 1   10   18    2 o  189.933   5.0926  247.145   13.025  274.879   18.243  218.311   18.602  200.932   6.6999  178.934   7.6714 21.99835 10.18525 
1 1 1   10   18    3 o   46.399   8.9650   14.974   6.8431   25.823   9.0861   0.7536   10.402   60.331   11.534   32.466   13.728 27.86483 17.92995 
1 1 1   10   18    4 o   52.896   9.4852   20.905   7.0243   26.769   9.1899   12.666   10.894   61.462   11.455   44.330   15.121 17.13235 18.97032 
1 1 1   10   18    5 o  141.160   5.4475  137.246   10.298  147.279   13.882  124.968   15.356  147.038   6.9667  135.282   8.3765 11.75572 10.89497 
1 1 1   10   18    6 o  121.802   5.7040  101.743   9.3266  105.237   12.497   97.349   14.013  124.242   7.4225  119.362   8.6631 4.880180 11.40796 
1 1 1   10   18    7 o   78.294   7.3755   40.768   7.6600   30.903   9.9833   54.889   11.944   67.075   10.983   89.512   9.8467 -22.43732 14.75095 
1 1 1   10   18    8 o   79.921   7.4061   44.414   7.8909   48.077   10.552   39.766   11.886   83.817   9.2897   76.025   11.537 7.791878 14.81227 
1 1 1   10   18    9 o   69.780   10.216   39.819   9.6272   13.595   15.343   56.847   12.364   48.500   17.806   91.059   10.019 -42.55957 20.43178 
1 1 1   10   18   10 o  124.901   8.6179  106.645   14.587   0.0000   0.0000  106.645   14.587  ?   ?   124.901   8.6179      ?      ? 
1 1 1   10   18   12 o  213.759   9.4277  313.053   27.309  313.053   27.309   0.0000   0.0000  213.759   9.4277  ?   ?       ?      ? 
1 1 1   10   18   13 o   37.055   10.967  -1.2457   8.7803  -6.2491   10.513   10.294   15.965   27.865   12.682   46.244   17.895 -18.37902 21.93339 
1 1 1   10   18   14 o   85.962   9.9451   57.557   9.0873   62.118   10.417   43.034   18.589   95.340   8.0628   76.584   18.183 18.75520 19.89016 
1 1 1   10   18   15 o   86.263   9.4277   55.516   8.1208   57.385   9.0395   47.695   18.489   91.699   7.2743   80.826   17.396 10.87336 18.85535 
1 1 1   10   18   16 o  236.865   6.2624  396.992   16.407  406.959   18.609  362.192   34.772  244.535   5.6156  229.196   11.195 15.33836 12.52484 
1 1 1   10   18   17 o   66.168   10.279   34.648   7.2322   36.860   7.9765   24.424   17.146   73.416   8.0175   58.920   18.931 14.49596 20.55848 
1 1 1   10   18   18 o   79.641   8.1824   39.857   7.2371   37.182   8.0515   51.111   16.514   73.720   8.0595   85.561   14.243 -11.84162 16.36473 
1 1 1   10   18   19 o   86.900   7.7410   44.647   7.4251   40.005   8.1940   65.955   17.556   76.468   7.9074   97.332   13.310 -20.86319 15.48199 
1 1 1   10   18   20 o   94.135   7.8457   60.480   7.7089   60.053   8.5136   62.425   18.165   93.806   6.6973   94.464   14.190 -0.6587143 15.69138 
1 1 1   10   18   21 o   80.549   8.0666   40.711   7.1028   38.079   7.8616   52.404   16.570   74.590   7.7776   86.509   14.135 -11.91882 16.13323 
1 1 1   10   18   22 o   57.205   10.354   20.216   6.6456   17.911   7.3422   30.667   15.631   49.932   11.135   64.478   17.460 -14.54595 20.70816 
1 1 1   10   18   23 f  128.896   6.9593  119.562   9.4718  122.849   10.591  106.436   21.167  134.238   5.8223  123.554   12.642 10.68468 13.91852 
1 1 1   10   18   24 o   41.232   12.143   12.055   7.2425   12.055   7.2425   0.0000   0.0000   41.232   12.143  ?   ?       ?      ? 
1 1 1   10   18   25 o  105.396   6.5383   75.904   9.3384   75.904   9.3384   0.0000   0.0000  105.396   6.5383  ?   ?       ?      ? 
1 1 1   10   18   26 o  126.190   6.1371  108.738   10.495  108.738   10.495   0.0000   0.0000  126.190   6.1371  ?   ?       ?      ? 
1 1 1   10   18   27 o  157.578   6.0410  158.193   10.598  149.413   11.825  194.042   23.894  147.938   5.8985  167.218   10.544 -19.28021 12.08202 
1 1 1   10   18   28 o   84.162   8.7841   54.513   7.6305   57.656   8.6481   43.463   16.214   91.741   6.9563   76.584   16.132 15.15704 17.56826 
1 1 1   10   18   29 o   49.368   10.437   16.466   6.5174   15.745   7.3202   19.222   14.314   46.563   11.634   52.172   17.332 -5.609215 20.87437 
1 1 1   10   18   30 o   70.711   8.9001   34.304   6.9271   33.095   7.8173   38.724   14.947   69.284   8.3260   72.138   15.733 -2.853806 17.80024 
1 1 1   10   18   31 o   51.216   10.140   18.470   6.4811   18.012   7.3560   20.060   13.702   49.808   11.173   52.623   16.924 -2.814579 20.27999 
1 1 1   10   18   32 o   78.715   8.8287   46.326   7.4143   47.850   8.4284   41.112   15.591   83.387   7.4587   74.043   16.005 9.343643 17.65741 
1 1 1   10   18   33 o   81.438   7.3893   41.656   7.0883   37.373   8.0454   56.512   14.984   73.560   8.0709   89.316   12.380 -15.75572 14.77850 
1 1 1   10   18   34 o   59.220   9.6348   26.306   6.6674   27.085   7.5624   23.589   14.129   62.447   8.9365   55.993   17.072 6.453594 19.26952 
1 1 1   10   18   35 o   53.593   10.385   20.930   7.3334   20.061   8.7873   22.925   13.311   52.074   12.591   55.112   16.518 -3.037949 20.76981 
1 1 1   10   18   36 o   60.749   9.7398   26.424   7.4288   24.188   8.9879   31.245   13.198   57.373   11.948   64.125   15.385 -6.751671 19.47962 
1 1 1   10   18   37 o  103.977   7.2540   78.048   9.3740   81.438   11.375   70.874   16.548  108.430   7.7413   99.525   12.270 8.905022 14.50796 
1 1 1   10   18   38 o   31.788   9.9116  -3.4050   8.6493 -10.8445   12.422   3.5953   12.050   27.812   13.045   35.763   14.926 -7.950998 19.82316 
1 1 1   10   18   39 o  141.925   7.4840  142.869   14.372  152.986   20.480  133.054   20.173  147.056   10.277  136.793   10.882 10.26306 14.96799 
1 1 1   10   18   40 o  108.540   8.2123   84.580   12.079   84.048   16.992   85.124   17.174  108.209   11.587  108.872   11.640 -0.6626892 16.42454 
1 1 1   10   18   41 o   44.030   10.486   14.318   7.5391   17.266   9.4546   9.1698   12.493   47.706   13.824   40.354   15.771 7.352333 20.97194 
1 1 1   10   18   42 o   30.457   9.4072  -1.0275   6.9563  -3.2576   8.5194   3.4335   12.050   25.678   11.578   35.237   14.830 -9.558636 18.81430 
1 1 1   10   18   43 o  108.548   7.1355   81.969   9.9788   77.423   12.204   91.140   17.333  104.884   8.5864  112.213   11.399 -7.328987 14.27092 
1 1 1   10   18   44 o   88.533   7.9102   54.359   8.9278   49.921   10.752   64.212   16.020   83.778   9.4709   93.287   12.672 -9.508789 15.82036 
1 1 1   10   18   45 o   40.427   10.110   11.781   7.1831   15.422   8.6968   3.9638   12.742   44.863   13.331   35.990   15.204 8.873211 20.22054 
1 1 1   10   18   46 f   26.818   11.624   0.1019   7.8040   0.1019   7.8040   0.0000   0.0000   26.818   11.624  ?   ?       ?      ? 
1 1 1   10   18   47 o   34.849   12.983   7.7675   8.2105   7.7675   8.2105   0.0000   0.0000   34.849   12.983  ?   ?       ?      ? 
1 1 1   10   18   48 o   52.813   12.494   21.559   8.8020   21.559   8.8020   0.0000   0.0000   52.813   12.494  ?   ?       ?      ? 
1 1 1   10   18   49 o   40.952   13.213   12.775   8.3463   12.775   8.3463   0.0000   0.0000   40.952   13.213  ?   ?       ?      ? 
1 1 1   10   18   50 o   60.710   16.263   30.737   13.649   30.737   13.649   0.0000   0.0000   60.710   16.263  ?   ?       ?      ? 
1 1 1   10   18   51 o   38.068   15.248   8.4556   11.948   8.4556   11.948   0.0000   0.0000   38.068   15.248  ?   ?       ?      ? 
1 1 1   10   18   52 o   50.210   16.651   21.079   13.213   21.079   13.213   0.0000   0.0000   50.210   16.651  ?   ?       ?      ? 
1 1 1   10   18   53 o   29.466   11.929   3.9593   7.3972   3.9593   7.3972   0.0000   0.0000   29.466   11.929  ?   ?       ?      ? 
1 1 1   10   18   54 o   42.629   12.972   14.368   8.1635   14.368   8.1635   0.0000   0.0000   42.629   12.972  ?   ?       ?      ? 
1 1 1   10   19    0 o   83.125   8.0657   47.210   8.9782   58.576   13.427   38.017   12.075   92.164   10.751   74.087   12.027 18.07685 16.13137 
1 1 1   10   19    1 o  162.702   6.0371  179.368   13.136  193.520   20.599  169.669   17.053  167.938   9.0512  157.466   7.9914 10.47162 12.07426 
1 1 1   10   19    2 o   93.217   9.6582   55.770   11.572   46.342   13.923   76.830   20.810   81.696   12.576  104.738   14.662 -23.04195 19.31645 
1 1 1   10   19    3 f  192.942   7.5645  265.006   19.126  311.561   25.685  207.066   28.655  213.105   8.8943  172.779   12.238 40.32590 15.12891 
1 1 1   10   19    4 o  121.131   8.5938  104.714   13.342  112.228   16.765   91.732   22.036  127.742   9.6847  114.519   14.199 13.22264 17.18763 
1 1 1   10   19    5 o   66.908   10.376   39.780   8.7388   48.787   10.122   13.416   17.317   84.319   8.8586   49.498   18.766 34.82114 20.75205 
1 1 1   10   19    6 o  121.359   5.7924  100.332   9.4310   97.071   12.401  104.805   14.523  119.114   7.6830  123.604   8.6706 -4.490875 11.58483 
1 1 1   10   19    7 o  121.848   5.7739  102.379   9.4255  106.709   12.586   96.852   14.222  124.915   7.4354  118.781   8.8356 6.134102 11.54788 
1 1 1   10   19    8 o   75.528   7.5744   39.808   7.6319   42.134   10.139   36.768   11.593   78.247   9.5616   72.809   11.750 5.437714 15.14890 
1 1 1   10   19    9 o   87.480   6.7741   51.505   7.9401   44.084   10.364   62.049   12.354   80.025   9.5572   94.934   9.6028 -14.90899 13.54826 
1 1 1   10   19   10 o  154.044   5.4062  163.093   11.195  168.006   15.048  157.004   16.752  156.765   7.0834  151.324   8.1691 5.441269 10.81240 
1 1 1   10   19   11 f   59.997   10.272   26.014   6.8567   26.426   7.5527   24.085   16.352   61.994   8.9902   58.000   18.472 3.994320 20.54322 
1 1 1   10   19   12 o   63.914   10.303   30.762   7.0006   31.751   7.6767   25.876   17.059   68.014   8.3290   59.814   18.848 8.200100 20.60587 
1 1 1   10   19   13 o  126.831   7.0871  111.656   9.4068  111.994   10.423  110.175   21.844  128.121   6.0031  125.542   12.840 2.579430 14.17421 
1 1 1   10   19   14 o   78.277   9.5006   41.217   7.6100   39.790   8.3825   47.907   18.150   76.137   8.1245   80.417   17.177 -4.279686 19.00118 
1 1 1   10   19   15 o   75.382   9.8698   39.365   7.7132   38.544   8.5302   43.043   18.060   74.885   8.4058   75.879   17.860 -0.9936295 19.73969 
1 1 1   10   19   16 o  156.842   6.8666  168.327   14.594  168.327   14.594   0.0000   0.0000  156.842   6.8666  ?   ?       ?      ? 
1 1 1   10   19   17 o  102.847   6.7611   72.380   9.4231   72.380   9.4231   0.0000   0.0000  102.847   6.7611  ?   ?       ?      ? 
1 1 1   10   19   18 o   97.532   6.7274   65.108   8.8916   65.108   8.8916   0.0000   0.0000   97.532   6.7274  ?   ?       ?      ? 
1 1 1   10   19   19 o   37.366   9.1666   9.3029   6.2102   14.013   6.8225 -13.4615   14.999   44.003   11.363   30.728   14.387 13.27502 18.33311 
1 1 1   10   19   20 o  114.250   7.1609   92.979   8.7504   94.583   9.7998   86.671   19.436  117.614   6.1485  110.885   12.935 6.729149 14.32171 
1 1 1   10   19   21 o   69.810   9.8071   40.884   7.1999   44.752   8.0680   25.756   15.956   80.722   7.3755   58.899   18.175 21.82335 19.61416 
1 1 1   10   19   22 o  101.303   7.7428   76.849   8.2202   80.376   9.2299   63.324   18.075  108.359   6.2857   94.247   14.153 14.11151 15.48564 
1 1 1   10   19   23 o   47.254   10.056   16.742   6.3798   18.181   7.1453   11.082   14.167   50.102   10.839   44.406   16.941 5.696190 20.11134 
1 1 1   10   19   24 o  138.417   6.5428  136.015   9.9325  138.338   11.216  127.575   21.382  142.208   5.8201  134.626   11.720 7.581467 13.08560 
1 1 1   10   19   25 o   74.224   8.1746   29.249   6.7795   22.197   7.4892   61.248   15.954   55.551   10.329   92.898   12.673 -37.34618 16.34927 
1 1 1   10   19   26 o   65.136   9.4074   29.469   6.6510   28.532   7.4145   33.329   15.048   64.175   8.5258   66.097   16.772 -1.921593 18.81476 
1 1 1   10   19   27 o   40.197   10.295   7.8552   6.0891   5.6480   6.8158   16.583   13.553   31.702   11.825   48.692   16.856 -16.98985 20.59041 
1 1 1   10   19   28 o  133.090   6.7412  134.126   9.7551  142.862   11.146  105.533   20.164  144.415   5.6955  121.764   12.220 22.65108 13.48234 
1 1 1   10   19   29 o   96.378   7.4236   68.085   7.9649   70.428   9.0972   60.391   16.485  101.166   6.6358   91.590   13.282 9.576210 14.84721 
1 1 1   10   19   30 o   79.834   7.8129   40.739   7.2107   37.101   8.1317   54.125   15.599   73.088   8.2102   86.579   13.295 -13.49113 15.62589 
1 1 1   10   19   31 o   69.752   9.4527   47.230   7.3231   56.938   8.3954   16.340   14.976   90.850   6.8192   48.655   17.633 42.19446 18.90544 
1 1 1   10   19   32 o   47.556   10.615   17.069   7.4461   18.505   8.9084   13.739   13.564   49.651   13.064   45.461   16.734 4.189152 21.22969 
1 1 1   10   19   33 o   57.071   10.249   24.332   7.6126   23.150   9.3166   26.707   13.205   55.582   12.653   58.560   16.127 -2.977425 20.49842 
1 1 1   10   19   34 o   45.235   10.646   14.650   7.2763   14.163   8.7877   15.711   12.977   43.693   13.489   46.777   16.475 -3.083885 21.29275 
1 1 1   10   19   35 o   46.449   10.651   16.093   7.4259   16.498   9.0549   15.261   12.977   46.696   13.528   46.202   16.454 0.4933548 21.30126 
1 1 1   10   19   36 o   58.723   10.093   26.749   7.6494   27.260   9.3580   25.720   13.279   60.479   11.842   56.967   16.347 3.511742 20.18587 
1 1 1   10   19   37 o   30.432   9.0660  -0.0083   7.0703   7.3173   8.8021 -13.3308   11.870   35.196   13.371   25.669   12.247 9.527586 18.13205 
1 1 1   10   19   38 o   77.335   8.8590   43.550   8.4958   41.721   10.320   47.396   14.964   76.412   9.9667   78.259   14.649 -1.847275 17.71803 
1 1 1   10   19   39 o   35.653   10.138   4.3962   7.1149   0.8777   8.5750   12.171   12.747   28.684   12.306   42.622   16.115 -13.93825 20.27634 
1 1 1   10   19   40 o   29.069   12.240   1.9943   8.2133   1.9943   8.2133   0.0000   0.0000   29.069   12.240  ?   ?       ?      ? 
1 1 1   10   19   41 o   43.255   13.570   14.316   8.8534   14.316   8.8534   0.0000   0.0000   43.255   13.570  ?   ?       ?      ? 
1 1 1   10   19   42 o   28.705   12.133   1.8475   8.1203   1.8475   8.1203   0.0000   0.0000   28.705   12.133  ?   ?       ?      ? 
1 1 1   10   19   43 o   42.642   13.600   13.975   8.8619   13.975   8.8619   0.0000   0.0000   42.642   13.600  ?   ?       ?      ? 
1 1 1   10   19   44 o   39.580   15.609   9.6769   12.335   9.6769   12.335   0.0000   0.0000   39.580   15.609  ?   ?       ?      ? 
1 1 1   10   19   45 o  114.544   11.253   96.967   17.468   96.967   17.468   0.0000   0.0000  114.544   11.253  ?   ?       ?      ? 
1 1 1   10   19   46 o   40.958   15.720   11.577   12.245   11.577   12.245   0.0000   0.0000   40.958   15.720  ?   ?       ?      ? 
1 1 1   10   19   47 o   72.326   14.669   42.167   13.886   42.167   13.886   0.0000   0.0000   72.326   14.669  ?   ?       ?      ? 
1 1 1   10   19   48 o   57.448   11.896   25.528   8.9564   25.528   8.9564   0.0000   0.0000   57.448   11.896  ?   ?       ?      ? 
1 1 1   10   19   49 o   58.807   11.530   26.614   8.8599   26.614   8.8599   0.0000   0.0000   58.807   11.530  ?   ?       ?      ? 
1 1 1   10   19   50 o   31.326   12.323   5.5482   7.6700   5.5482   7.6700   0.0000   0.0000   31.326   12.323  ?   ?       ?      ? 
1 1 1   10   20    0 o   56.993   9.6567   23.672   7.3018   22.640   9.6334   25.066   11.194   55.653   13.007   58.333   14.277 -2.679855 19.31334 
1 1 1   10   20    1 o   27.486   8.6169  -4.0341   6.4034  -7.9750   8.3740   1.5147   9.9366   22.963   10.751   32.009   13.469 -9.046139 17.23384 
1 1 1   10   20    2 o   36.713   9.8729   6.6707   6.7407   4.5008   8.7942   9.7611   10.495   33.114   13.141   40.311   14.738 -7.196697 19.74588 
1 1 1   10   20    3 o   76.183   7.4721   39.340   7.6132   33.052   9.8962   48.457   11.916   68.913   10.597   83.454   10.537 -14.54075 14.94412 
1 1 1   10   20    4 o   85.315   6.9521   51.125   7.8728   54.286   10.358   46.802   12.115   88.706   8.6168   81.925   10.912 6.781387 13.90423 
1 1 1   10   20    5 o   65.294   10.330   30.176   8.1429   28.636   9.5290   34.345   15.678   63.066   11.577   67.523   17.112 -4.457355 20.66024 
1 1 1   10   20    6 o  108.920   7.5223   81.784   9.9309   80.681   11.655   84.706   18.971  108.263   7.9445  109.577   12.776 -1.313896 15.04451 
1 1 1   10   20    7 o  126.350   7.1613  112.936   10.943  115.486   12.946  106.557   20.479  129.653   7.3684  123.046   12.282 6.607201 14.32259 
1 1 1   10   20    8 o  151.721   6.6083  155.479   12.283  150.242   14.442  169.173   23.353  147.908   7.2052  155.535   11.080 -7.626892 13.21668 
1 1 1   10   20    9 o   68.550   8.5523   33.444   7.5033   32.997   9.4725   34.198   12.293   68.844   10.153   68.256   13.765 0.5882034 17.10468 
1 1 1   10   20   10 o   90.089   9.0958   58.193   9.1429   58.249   10.502   58.018   18.583   91.832   8.4391   88.345   16.116 3.486458 18.19160 
1 1 1   10   20   11 o  144.621   6.6474  143.613   10.117  142.676   11.204  147.748   23.545  144.452   5.7236  144.790   12.000 -0.3370361 13.29490 
1 1 1   10   20   12 o   78.174   9.3317   45.355   7.1851   46.032   7.9213   42.215   17.066   81.830   7.1434   74.518   17.242 7.311264 18.66333 
1 1 1   10   20   13 o   44.964   10.242   14.467   6.1547   15.420   6.7348   9.6394   15.158   46.018   10.957   43.911   17.308 2.107044 20.48448 
1 1 1   10   20   14 o   57.754   10.041   25.851   6.6254   27.122   7.3108   20.008   15.673   62.572   8.6219   52.936   18.137 9.636082 20.08192 
1 1 1   10   20   15 o   22.805   7.7801 -10.5821   6.2667  -6.3927   7.0271 -26.8595   13.851   21.185   9.8959   24.425   12.008 -3.240173 15.56028 
1 1 1   10   20   16 o   91.936   8.5192   59.420   8.9788   58.984   10.265   60.838   18.527   92.316   8.2053   91.555   14.932 0.7604904 17.03833 
1 1 1   10   20   17 o  125.656   7.1973  108.943   10.773  107.099   12.511  114.232   21.191  124.604   7.4091  126.708   12.341 -2.104523 14.39460 
1 1 1   10   20   18 o   89.423   9.8875   67.359   9.3102   76.238   10.846   42.501   18.148  105.044   7.6195   73.802   18.248 31.24171 19.77496 
1 1 1   10   20   19 o   38.687   10.148   9.1755   7.2390   13.044   8.3745  -2.2582   14.398   42.472   13.177   34.901   15.437 7.570744 20.29620 
1 1 1   10   20   20 o   40.078   10.791   8.1752   7.1984   6.5615   8.2852   13.145   14.539   34.330   12.989   45.826   17.236 -11.49554 21.58219 
1 1 1   10   20   21 o  108.429   8.7126   86.572   12.354   97.706   16.284   71.469   18.964  117.803   10.200   99.055   14.128 18.74796 17.42529 
1 1 1   10   20   22 o  110.216   10.626   85.928   15.871   85.928   15.871   0.0000   0.0000  110.216   10.626  ?   ?       ?      ? 
1 1 1   10   20   23 o   86.861   8.5759   52.640   10.094   52.640   10.094   0.0000   0.0000   86.861   8.5759  ?   ?       ?      ? 
1 1 1   10   20   24 o   84.621   9.4687   56.837   8.8699   61.422   10.387   44.491   17.044   93.908   8.1624   75.334   17.088 18.57376 18.93738 
1 1 1   10   20   25 o   57.600   11.516   26.276   9.3932   28.763   12.067   22.453   14.962   61.223   14.725   53.978   17.710 7.244995 23.03190 
1 1 1   10   20   26 o   52.220   10.927   21.593   8.9224   29.192   11.543   10.312   14.064   61.854   14.086   42.586   16.707 19.26728 21.85308 
1 1 1   10   20   27 o   80.842   9.8241   47.113   10.351   37.344   13.339   61.898   16.409   69.793   14.574   91.891   13.178 -22.09763 19.64811 
1 1 1   10   20   28 o  116.593   8.1421   94.162   12.594   74.344   16.133  125.082   20.151  101.372   11.744  131.814   11.281 -30.44176 16.28411 
1 1 1   10   20   29 o   43.096   11.413   11.810   8.8616   9.2477   11.420   15.688   14.050   39.374   15.163   46.819   17.062 -7.445343 22.82615 
1 1 1   10   20   30 o   96.424   8.9877   69.810   11.437   79.996   15.452   57.468   17.009  105.424   10.816   87.424   14.357 18.00048 17.97533 
1 1 1   10   20   31 o  120.999   7.9544  105.461   12.982   99.335   17.372  113.209   19.536  117.266   10.932  124.732   11.558 -7.466263 15.90873 
1 1 1   10   20   32 o   59.410   11.762   28.791   9.8364   30.051   13.141   27.185   14.834   61.258   15.744   57.562   17.480 3.696232 23.52485 
1 1 1   10   20   33 o   53.861   11.335   23.376   9.5186   32.581   13.030   12.844   13.938   63.974   15.247   43.747   16.776 20.22692 22.66911 
1 1 1   10   20   34 o   41.306   15.512   11.579   11.766   11.579   11.766   0.0000   0.0000   41.306   15.512  ?   ?       ?      ? 
1 1 1   10   20   35 o   76.605   14.278   45.839   14.276   45.839   14.276   0.0000   0.0000   76.605   14.278  ?   ?       ?      ? 
1 1 1   10   20   36 o   23.893   11.453 -12.6454   10.643 -12.6454   10.643   0.0000   0.0000   23.893   11.453  ?   ?       ?      ? 
1 1 1   10   20   37 o   76.755   14.409   46.434   14.437   46.434   14.437   0.0000   0.0000   76.755   14.409  ?   ?       ?      ? 
1 1 1   10   20   38 o   56.868   15.997   26.735   12.846   26.735   12.846   0.0000   0.0000   56.868   15.997  ?   ?       ?      ? 
1 1 1   10   20   39 o   58.278   11.854   26.017   9.0425   26.017   9.0425   0.0000   0.0000   58.278   11.854  ?   ?       ?      ? 
1 1 1   10   20   40 o   58.623   11.922   26.414   9.1482   26.414   9.1482   0.0000   0.0000   58.623   11.922  ?   ?       ?      ? 
1 1 1   10   20   41 o   44.781   13.078   15.812   8.4317   15.812   8.4317   0.0000   0.0000   44.781   13.078  ?   ?       ?      ? 
1 1 1   10   20   42 o   48.581   12.625   18.612   8.3875   18.612   8.3875   0.0000   0.0000   48.581   12.625  ?   ?       ?      ? 
1 1 1   10   20   43 o   45.834   12.973   16.695   8.4211   16.695   8.4211   0.0000   0.0000   45.834   12.973  ?   ?       ?      ? 
1 1 1   10   20   44 o   48.153   12.712   18.445   8.4172   18.445   8.4172   0.0000   0.0000   48.153   12.712  ?   ?       ?      ? 
1 1 1   10   20   45 f   23.657   10.684  -2.3668   7.2903  -2.3668   7.2903   0.0000   0.0000   23.657   10.684  ?   ?       ?      ? 
1 1 1   10   21    0 o   43.925   9.5625   11.925   6.7478   4.0685   8.7961   23.161   10.519   32.353   13.039   55.498   13.991 -23.14454 19.12503 
1 1 1   10   21    1 o  115.910   5.7992   91.890   9.0002   84.919   11.695  102.016   14.095  110.732   7.7935  121.087   8.5899 -10.35463 11.59846 
1 1 1   10   21    2 o   59.083   8.9041   27.134   6.9257   33.196   8.9626   18.148   10.911   68.837   9.6079   49.328   14.994 19.50901 17.80827 
1 1 1   10   21    3 o   27.320   8.4826  -1.2980   6.0243   0.8901   7.6751  -4.8095   9.7229   27.747   11.765   26.893   12.223 0.8537884 16.96520 
1 1 1   10   21    4 o   72.955   8.0547   40.023   7.3628   46.793   9.6475   30.579   11.394   81.949   8.6873   63.961   13.566 17.98782 16.10944 
1 1 1   10   21    5 o   67.504   8.2326   33.671   7.0995   36.457   9.1963   29.561   11.169   72.148   9.4060   62.860   13.514 9.288303 16.46511 
1 1 1   10   21    6 o   40.645   9.1871   11.673   6.4042   17.908   8.1548   1.6393   10.345   49.075   12.289   32.216   13.660 16.85897 18.37418 
1 1 1   10   21    7 o   61.905   8.6504   26.063   7.0132   17.428   8.8585   40.566   11.480   48.274   13.174   75.536   11.215 -27.26172 17.30087 
1 1 1   10   21    8 o   47.020   10.026   15.711   6.7914   12.801   8.6071   20.511   11.055   42.058   13.402   51.983   14.915 -9.925522 20.05181 
1 1 1   10   21    9 o   38.900   9.4007   9.7201   6.6371   16.194   8.6251   0.3206   10.393   46.568   13.111   31.232   13.475 15.33560 18.80140 
1 1 1   10   21   10 o   39.782   8.6952   12.471   6.2960   18.603   6.9525 -15.4798   14.842   50.410   10.518   29.154   13.849 21.25586 17.39045 
1 1 1   10   21   11 o  102.746   7.5773   76.271   8.1868   77.124   9.1194   72.731   18.584  105.789   6.3612   99.703   13.755 6.086372 15.15455 
1 1 1   10   21   12 o   44.143   10.457   9.4245   6.0536   6.1813   6.6627   24.769   14.493   31.981   11.735   56.306   17.312 -24.32491 20.91464 
1 1 1   10   21   13 o   47.241   10.617   13.286   6.1754   11.051   6.7835   24.105   14.923   38.929   11.820   55.553   17.641 -16.62393 21.23491 
1 1 1   10   21   14 o   62.052   9.6521   34.772   6.8401   39.237   7.6544   17.074   15.239   75.145   7.5168   48.959   17.781 26.18565 19.30420 
1 1 1   10   21   15 f   34.531   10.002   2.7374   5.8604   0.9300   6.4406   11.435   14.129   25.569   10.806   43.492   16.833 -17.92253 20.00345 
1 1 1   10   21   16 o   50.706   10.136   20.051   6.3679   20.903   7.0356   16.193   14.976   53.502   10.074   47.909   17.592 5.593636 20.27180 
1 1 1   10   21   17 o   81.961   8.3419   40.290   8.1498   32.301   9.2294   68.571   17.365   67.386   10.107   96.536   13.274 -29.14970 16.68390 
1 1 1   10   21   18 o   74.478   9.6230   40.805   8.0964   40.016   9.2775   43.324   16.581   75.305   9.0913   73.651   16.963 1.653435 19.24591 
1 1 1   10   21   19 o   29.745   8.8860   0.9621   6.5314   6.5655   7.3513 -20.0381   14.231   32.975   12.285   26.515   12.842 6.460514 17.77191 
1 1 1   10   21   20 o   47.684   10.267   18.455   7.1811   21.202   8.2959   10.244   14.342   53.088   11.834   42.280   16.781 10.80753 20.53384 
1 1 1   10   21   21 o   66.582   9.7741   30.815   7.6349   27.835   8.7491   40.332   15.634   62.294   10.364   70.870   16.575 -8.576046 19.54820 
1 1 1   10   21   22 o   51.437   10.666   16.095   7.3374   10.174   8.4657   33.976   14.711   38.113   13.315   64.761   16.665 -26.64829 21.33101 
1 1 1   10   21   23 o   46.591   10.292   17.792   7.5273   21.840   8.8308   7.0334   14.395   53.504   12.419   39.678   16.416 13.82549 20.58441 
1 1 1   10   21   24 o   57.759   17.446   27.522   14.805   0.0000   0.0000   27.522   14.805  ?   ?    57.759   17.446      ?      ? 
1 1 1   10   21   25 o   61.994   10.145   29.395   7.6699   28.432   8.9964   31.957   14.676   61.721   11.167   62.267   16.941 -0.5456276 20.29076 
1 1 1   10   21   26 o   44.614   10.781   11.462   7.0569   7.1522   8.0938   25.123   14.410   34.076   12.851   55.152   17.314 -21.07592 21.56182 
1 1 1   10   21   27 o   36.420   8.4363   7.5981   6.8562   18.163   7.8150 -27.7036   14.286   48.706   11.934   24.134   11.927 24.57227 16.87255 
1 1 1   10   21   28 o   95.165   8.3571   64.180   10.777   64.180   10.777   0.0000   0.0000   95.165   8.3571  ?   ?       ?      ? 
1 1 1   10   21   29 f   73.647   9.8168   39.136   9.7973   39.136   9.7973   0.0000   0.0000   73.647   9.8168  ?   ?       ?      ? 
1 1 1   10   21   30 f   45.678   13.139   16.309   8.5690   16.309   8.5690   0.0000   0.0000   45.678   13.139  ?   ?       ?      ? 
1 1 1   10   21   31 o   32.256   12.636   5.7469   8.0357   5.7469   8.0357   0.0000   0.0000   32.256   12.636  ?   ?       ?      ? 
1 1 1   10   21   32 o   37.861   13.043   10.523   8.1102   10.523   8.1102   0.0000   0.0000   37.861   13.043  ?   ?       ?      ? 
1 1 1   10   21   33 o   46.682   12.699   17.100   8.2467   17.100   8.2467   0.0000   0.0000   46.682   12.699  ?   ?       ?      ? 
1 1 1   10   21   34 o   53.733   11.818   22.296   8.3711   22.296   8.3711   0.0000   0.0000   53.733   11.818  ?   ?       ?      ? 
1 1 1   10   21   35 o   24.587   10.990  -1.7382   7.4941  -1.7382   7.4941   0.0000   0.0000   24.587   10.990  ?   ?       ?      ? 
1 1 1   10   21   36 o   43.732   13.067   15.125   8.3386   15.125   8.3386   0.0000   0.0000   43.732   13.067  ?   ?       ?      ? 
1 1 1   10   21   37 o   50.633   12.744   20.356   8.7378   20.356   8.7378   0.0000   0.0000   50.633   12.744  ?   ?       ?      ? 
1 1 1   10   21   38 o   24.651   11.060  -1.8843   7.6647  -1.8843   7.6647   0.0000   0.0000   24.651   11.060  ?   ?       ?      ? 
1 1 1   10   21   39 o   33.396   12.711   7.2353   7.9641   7.2353   7.9641   0.0000   0.0000   33.396   12.711  ?   ?       ?      ? 
1 1 1   10   21   40 o   23.345   10.634  -3.0149   7.4123  -3.0149   7.4123   0.0000   0.0000   23.345   10.634  ?   ?       ?      ? 
1 1 1   10   22    0 o   39.704   9.8929   10.067   6.4160   7.3444   7.9515   15.148   10.862   34.413   12.785   44.995   15.100 -10.58243 19.78578 
1 1 1   10   22    1 o   37.080   9.5232   6.4726   6.2451   1.3606   7.6961   16.328   10.686   27.872   11.798   46.289   14.953 -18.41676 19.04636 
1 1 1   10   22    2 o   48.831   9.1473   19.304   6.5786   25.705   8.4622   9.5258   10.459   58.889   11.009   38.772   14.612 20.11736 18.29458 
1 1 1   10   22    3 o   51.157   9.4917   20.644   6.6329   22.738   8.4145   17.209   10.779   55.031   11.647   47.284   14.991 7.746552 18.98334 
1 1 1   10   22    4 o   81.759   7.0228   48.570   7.5556   51.970   9.8353   43.674   11.802   85.896   8.4495   77.622   11.220 8.274094 14.04570 
1 1 1   10   22    5 o   42.971   9.6277   11.323   6.6392   4.1886   8.3901   23.273   10.859   31.439   12.712   54.503   14.463 -23.06388 19.25546 
1 1 1   10   22    6 o   70.272   12.980   37.488   11.905   0.0000   0.0000   37.488   11.905  ?   ?    70.272   12.980      ?      ? 
1 1 1   10   22    7 o   54.803   14.580   23.627   11.017   0.0000   0.0000   23.627   11.017  ?   ?    54.803   14.580      ?      ? 
1 1 1   10   22    8 o   67.902   12.938   35.102   11.471   0.0000   0.0000   35.102   11.471  ?   ?    67.902   12.938      ?      ? 
1 1 1   10   22    9 o   68.544   17.400   38.745   16.190   0.0000   0.0000   38.745   16.190  ?   ?    68.544   17.400      ?      ? 
1 1 1   10   22   10 o   31.494   9.5702  -2.3834   8.3166   8.1907   10.722 -18.3538   13.177   37.490   14.621   25.499   12.352 11.99057 19.14039 
1 1 1   10   22   11 o   23.463   8.1104 -15.3312   6.1926 -18.4257   7.0247  -4.5415   13.117   15.760   7.8816   31.167   14.177 -15.40670 16.22072 
1 1 1   10   22   12 o   51.234   10.510   21.329   7.2055   22.578   8.1974   17.085   15.111   54.730   11.422   47.738   17.647 6.992104 21.02065 
1 1 1   10   22   13 o   42.559   9.8006   14.609   7.0195   19.110   8.0428   0.2235   14.380   50.004   12.018   35.113   15.484 14.89067 19.60110 
1 1 1   10   22   14 o   80.561   9.3688   50.574   8.4356   51.952   9.7812   46.575   16.666   85.666   8.4256   75.457   16.736 10.20857 18.73755 
1 1 1   10   22   15 o   42.438   10.165   14.077   7.1382   17.317   8.3317   5.1346   13.841   47.305   12.721   37.571   15.858 9.734512 20.32947 
1 1 1   10   22   16 f   60.029   10.114   24.380   7.3523   19.201   8.4854   39.980   14.727   49.816   12.570   70.242   15.849 -20.42536 20.22827 
1 1 1   10   22   17 o   37.858   10.339   8.3436   6.7624   7.3691   7.8264   11.214   13.433   33.999   12.674   41.717   16.339 -7.718292 20.67833 
1 1 1   10   22   18 o   32.219   8.1473   2.1769   6.5122   14.472   7.6817 -29.2347   12.278   43.337   12.433   21.102   10.533 22.23522 16.29458 
1 1 1   10   22   19 o   35.906   9.2939   7.8919   6.8179   14.300   8.1276  -7.3257   12.525   43.011   12.911   28.800   13.372 14.21173 18.58782 
1 1 1   10   22   20 o   49.664   12.581   19.204   8.4766   19.204   8.4766   0.0000   0.0000   49.664   12.581  ?   ?       ?      ? 
1 1 1   10   22   21 o   27.973   11.801   1.8907   7.6599   1.8907   7.6599   0.0000   0.0000   27.973   11.801  ?   ?       ?      ? 
1 1 1   10   22   22 o   43.259   12.996   14.574   8.2319   14.574   8.2319   0.0000   0.0000   43.259   12.996  ?   ?       ?      ? 
1 1 1   10   22   23 o   50.367   12.292   19.748   8.3159   19.748   8.3159   0.0000   0.0000   50.367   12.292  ?   ?       ?      ? 
1 1 1   10   22   24 o   44.014   12.898   15.183   8.1893   15.183   8.1893   0.0000   0.0000   44.014   12.898  ?   ?       ?      ? 
1 1 1   10   22   25 o   24.474   10.941  -1.7820   7.4296  -1.7820   7.4296   0.0000   0.0000   24.474   10.941  ?   ?       ?      ? 
1 1 1   10   22   26 o   43.224   13.026   14.685   8.2605   14.685   8.2605   0.0000   0.0000   43.224   13.026  ?   ?       ?      ? 
1 1 1   10   22   27 o   65.177   10.438   31.254   9.2196   31.254   9.2196   0.0000   0.0000   65.177   10.438  ?   ?       ?      ? 
1 1 1   10   22   28 o   32.370   12.444   6.3860   7.6804   6.3860   7.6804   0.0000   0.0000   32.370   12.444  ?   ?       ?      ? 
1 1 1   10   22   29 o   28.724   11.888   3.0913   7.5516   3.0913   7.5516   0.0000   0.0000   28.724   11.888  ?   ?       ?      ? 
1 1 1   10   22   30 o   27.031   11.521   1.5036   7.4276   1.5036   7.4276   0.0000   0.0000   27.031   11.521  ?   ?       ?      ? 
1 1 1   10   22   31 o   53.609   12.092   22.606   8.5755   22.606   8.5755   0.0000   0.0000   53.609   12.092  ?   ?       ?      ? 
1 1 1   10   22   32 o   31.115   12.292   5.4557   7.6619   5.4557   7.6619   0.0000   0.0000   31.115   12.292  ?   ?       ?      ? 
1 1 1   10   22   33 o   22.515   10.364  -3.9102   7.2914  -3.9102   7.2914   0.0000   0.0000   22.515   10.364  ?   ?       ?      ? 
1 1 1   10   22   34 o   33.223   12.635   7.3372   7.8660   7.3372   7.8660   0.0000   0.0000   33.223   12.635  ?   ?       ?      ? 
1 1 1   10   23    0 o   37.618   9.9428   8.6085   7.1445   2.8847   9.9900   14.601   10.222   31.793   13.449   43.443   14.648 -11.64975 19.88560 
1 1 1   10   23    1 o   34.360   10.242   4.2780   7.8566   4.7978   9.6671   3.2666   13.484   33.029   13.536   35.691   15.374 -2.662403 20.48403 
1 1 1   10   23    2 o   30.284   9.6154  -3.2540   7.7041  -6.5572   9.3894   3.5517   13.477   24.712   11.508   35.856   15.407 -11.14383 19.23078 
1 1 1   10   23    3 o   39.607   10.886   7.5660   8.3146   1.7084   10.314   18.440   14.052   31.244   13.453   47.970   17.118 -16.72569 21.77124 
1 1 1   10   23    4 o   50.652   11.386   18.996   8.7000   12.667   10.832   30.503   14.605   41.443   15.000   59.861   17.134 -18.41784 22.77179 
1 1 1   10   23    5 o   35.704   9.7569   7.1949   6.8989   11.829   9.9017   2.8234   9.6175   40.148   14.365   31.260   13.208 8.887688 19.51376 
1 1 1   10   23    6 o   44.928   10.434   15.858   7.3647   18.052   10.653   13.850   10.193   47.376   14.888   42.481   14.623 4.894867 20.86858 
1 1 1   10   23    7 o   40.326   9.1234   7.9132   7.3645  -8.7238   10.394   24.688   10.436   25.101   11.823   55.551   13.898 -30.44940 18.24677 
1 1 1   10   23    8 o   36.269   9.9190   8.1202   6.9960   5.7948   10.067   10.292   9.7292   34.206   13.892   38.333   14.162 -4.126411 19.83798 
1 1 1   10   23    9 o   53.201   10.411   22.983   7.1898   23.263   8.3049   22.145   14.365   55.123   11.490   51.279   17.365 3.843857 20.82221 
1 1 1   10   23   10 o   30.019   12.068   4.2754   7.5144   4.2754   7.5144   0.0000   0.0000   30.019   12.068  ?   ?       ?      ? 
1 1 1   10   23   11 o   49.898   12.342   19.475   8.2989   19.475   8.2989   0.0000   0.0000   49.898   12.342  ?   ?       ?      ? 
1 1 1   10   23   12 o   31.085   12.234   5.2535   7.5638   5.2535   7.5638   0.0000   0.0000   31.085   12.234  ?   ?       ?      ? 
1 1 1   10   23   13 o   24.097   10.746  -1.5579   7.1206  -1.5579   7.1206   0.0000   0.0000   24.097   10.746  ?   ?       ?      ? 
1 1 1   10   23   14 o   55.895   11.341   23.936   8.2964   23.936   8.2964   0.0000   0.0000   55.895   11.341  ?   ?       ?      ? 
1 1 1   10   23   15 o   34.819   12.671   8.4005   7.7452   8.4005   7.7452   0.0000   0.0000   34.819   12.671  ?   ?       ?      ? 
1 1 1   10   23   16 f   46.480   12.408   17.029   7.9618   17.029   7.9618   0.0000   0.0000   46.480   12.408  ?   ?       ?      ? 
1 1 1   10   23   17 o   21.918   10.080  -3.8906   6.8754  -3.8906   6.8754   0.0000   0.0000   21.918   10.080  ?   ?       ?      ? 
1 1 1   10   23   18 o   33.515   12.406   7.5611   7.4735   7.5611   7.4735   0.0000   0.0000   33.515   12.406  ?   ?       ?      ? 
1 1 1   10   23   19 o   23.796   10.687  -1.9471   7.1767  -1.9471   7.1767   0.0000   0.0000   23.796   10.687  ?   ?       ?      ? 
1 1 1   10   23   20 o   60.173   15.676   30.739   12.911   30.739   12.911   0.0000   0.0000   60.173   15.676  ?   ?       ?      ? 
1 1 1   10   23   21 o   47.176   15.864   18.707   11.989   18.707   11.989   0.0000   0.0000   47.176   15.864  ?   ?       ?      ? 
1 1 1   10   23   22 o   34.015   14.375   4.7018   11.396   4.7018   11.396   0.0000   0.0000   34.015   14.375  ?   ?       ?      ? 
1 1 1   10   23   23 o   47.329   16.070   19.112   12.303   19.112   12.303   0.0000   0.0000   47.329   16.070  ?   ?       ?      ? 
1 1 1   10   23   24 o   49.795   16.096   21.585   12.381   21.585   12.381   0.0000   0.0000   49.795   16.096  ?   ?       ?      ? 
1 1 1   10   23   25 o   41.285   15.702   13.238   12.149   13.238   12.149   0.0000   0.0000   41.285   15.702  ?   ?       ?      ? 
1 1 1   10   23   26 o   41.132   15.709   13.209   12.191   13.209   12.191   0.0000   0.0000   41.132   15.709  ?   ?       ?      ? 
1 1 1   10   23   27 o   21.410   10.518 -17.7063   10.570 -17.7063   10.570   0.0000   0.0000   21.410   10.518  ?   ?       ?      ? 
1 1 1   10   23   28 o   30.344   13.581  -0.1189   11.482  -0.1189   11.482   0.0000   0.0000   30.344   13.581  ?   ?       ?      ? 
1 1 1   10   24    0 o   29.877   9.5215  -1.5510   7.9486  -1.3042   10.122  -1.9481   12.839   28.478   12.747   31.276   14.147 -2.797703 19.04294 
1 1 1   10   24    1 o   33.817   10.121   4.2610   8.1390   7.5794   10.654  -0.3896   12.613   35.742   14.370   31.893   14.256 3.848919 20.24167 
1 1 1   10   24    2 o   27.938   8.9601  -4.2507   7.7430   2.5545   9.7920 -15.6063   12.649   30.769   13.174   25.107   12.148 5.661259 17.92013 
1 1 1   10   24    3 o   42.413   11.231   12.770   8.6051   8.1608   10.929   20.286   13.957   36.408   14.584   48.417   17.083 -12.00911 22.46117 
1 1 1   10   24    4 o   49.914   11.610   21.987   9.3123   25.529   12.053   16.741   14.669   54.553   15.548   45.275   17.246 9.278385 23.21986 
1 1 1   10   24    5 o   31.869   9.8664   1.5224   8.1668   4.2133   10.630  -2.3549   12.759   32.860   13.885   30.878   14.021 1.982027 19.73280 
1 1 1   10   24    6 o   52.815   10.769   20.103   9.1357   6.0115   11.671   42.397   14.680   35.128   14.678   70.503   15.761 -35.37482 21.53699 
1 1 1   10   24    7 o   55.718   11.655   27.422   9.3540   27.437   12.201   27.400   14.569   56.482   15.480   54.955   17.428 1.526733 23.31076 
1 1 1   10   24    8 o   32.397   13.812   3.6580   10.680   3.6580   10.680   0.0000   0.0000   32.397   13.812  ?   ?       ?      ? 
1 1 1   10   24    9 o   37.582   12.892   10.914   7.9199   10.914   7.9199   0.0000   0.0000   37.582   12.892  ?   ?       ?      ? 
1 1 1   10   24   10 o   28.647   11.824   3.4637   7.4420   3.4637   7.4420   0.0000   0.0000   28.647   11.824  ?   ?       ?      ? 
1 1 1   10   24   11 o   39.059   12.814   12.106   7.8331   12.106   7.8331   0.0000   0.0000   39.059   12.814  ?   ?       ?      ? 
1 1 1   10   24   12 o   22.171   10.239  -4.0511   7.2017  -4.0511   7.2017   0.0000   0.0000   22.171   10.239  ?   ?       ?      ? 
1 1 1   10   24   13 o   29.179   12.122   3.5612   7.8947   3.5612   7.8947   0.0000   0.0000   29.179   12.122  ?   ?       ?      ? 
1 1 1   10   24   14 o   69.612   14.188   40.435   12.930   40.435   12.930   0.0000   0.0000   69.612   14.188  ?   ?       ?      ? 
1 1 1   10   24   15 o   39.771   14.962   12.443   10.956   12.443   10.956   0.0000   0.0000   39.771   14.962  ?   ?       ?      ? 
1 1 1   10   24   16 o   29.821   12.973   1.9256   9.7935   1.9256   9.7935   0.0000   0.0000   29.821   12.973  ?   ?       ?      ? 
1 1 1   10   24   17 o   38.589   14.718   11.506   10.692   11.506   10.692   0.0000   0.0000   38.589   14.718  ?   ?       ?      ? 
1 1 1   10   24   18 o   32.412   13.699   4.8041   10.353   4.8041   10.353   0.0000   0.0000   32.412   13.699  ?   ?       ?      ? 
1 1 1   10   24   19 o   27.591   12.529  -1.8736   10.189  -1.8736   10.189   0.0000   0.0000   27.591   12.529  ?   ?       ?      ? 
1 1 1   10   24   20 o   32.633   13.794   5.1595   10.498   5.1595   10.498   0.0000   0.0000   32.633   13.794  ?   ?       ?      ? 
1 1 1   10   24   21 o   61.572   15.006   33.625   12.407   33.625   12.407   0.0000   0.0000   61.572   15.006  ?   ?       ?      ? 
1 1 1   10   24   22 o   25.094   11.184  -0.4713   7.7002  -0.4713   7.7002   0.0000   0.0000   25.094   11.184  ?   ?       ?      ? 
1 1 1   10   25    0 o   28.516   13.134  -2.9172   11.732   0.0000   0.0000  -2.9172   11.732  ?   ?    28.516   13.134      ?      ? 
1 1 1   10   25    1 o   36.428   15.227   8.7770   12.568   0.0000   0.0000   8.7770   12.568  ?   ?    36.428   15.227      ?      ? 
1 1 1   10   25    2 o   38.132   10.898   11.167   8.7076   10.864   12.027   11.501   12.623   37.772   15.239   38.492   15.583 -0.7200584 21.79537 
1 1 1   10   25    3 o   35.166   10.411   7.2419   8.5748   11.863   11.655   1.7885   12.661   38.451   15.170   31.880   14.265 6.571558 20.82297 
1 1 1   10   25    4 f   42.330   10.976   15.165   9.0449   24.383   12.433   4.8024   13.183   50.645   16.104   34.015   14.918 16.62918 21.95240 
1 1 1   10   25    5 o   40.374   11.051   13.189   8.8108   7.3923   11.953   20.086   13.038   34.902   14.734   45.847   16.475 -10.94541 22.10255 
1 1 1   10   25    6 o   34.957   10.436   5.9889   8.7910  -1.1425   12.107   13.941   12.785   29.640   13.536   40.274   15.889 -10.63447 20.87262 
1 1 1   10   25    7 o   30.080   13.450   1.1727   11.236   1.1727   11.236   0.0000   0.0000   30.080   13.450  ?   ?       ?      ? 
1 1 1   10   25    8 o   29.010   12.063   4.2275   7.8288   4.2275   7.8288   0.0000   0.0000   29.010   12.063  ?   ?       ?      ? 
1 1 1   10   25    9 o   28.351   11.999   3.4102   7.9591   3.4102   7.9591   0.0000   0.0000   28.351   11.999  ?   ?       ?      ? 
1 1 1   10   25   10 o   43.505   13.229   16.581   8.4918   16.581   8.4918   0.0000   0.0000   43.505   13.229  ?   ?       ?      ? 
1 1 1   10   25   11 o   55.950   12.107   26.209   8.9127   26.209   8.9127   0.0000   0.0000   55.950   12.107  ?   ?       ?      ? 
1 1 1   10   25   12 o   29.374   12.239   4.5812   8.0828   4.5812   8.0828   0.0000   0.0000   29.374   12.239  ?   ?       ?      ? 
1 1 1   10   25   13 f   30.691   12.461   6.0227   8.0974   6.0227   8.0974   0.0000   0.0000   30.691   12.461  ?   ?       ?      ? 
1 1 1   10   25   14 o   32.216   12.711   7.5458   8.1836   7.5458   8.1836   0.0000   0.0000   32.216   12.711  ?   ?       ?      ? 
1 1 1   10   25   15 o   53.175   12.823   24.681   9.1331   24.681   9.1331   0.0000   0.0000   53.175   12.823  ?   ?       ?      ? 
1 1 1   10   25   16 f   55.775   14.694   29.228   11.261   29.228   11.261   0.0000   0.0000   55.775   14.694  ?   ?       ?      ? 
1 1 1   11    0    0 o  372.815   10.330  944.573   52.097  944.573   52.097   0.0000   0.0000  372.815   10.330  372.815   10.330 -0.000000 0.000000 
1 1 1   11    0    1 o  597.909   14.432  2429.85  116.779  2429.85  116.779   0.0000   0.0000  597.909   14.432  597.909   14.432 -0.000000 0.000000 
1 1 1   11    0    5 o  380.158   10.475  982.259   53.872   0.0000   0.0000  982.259   53.872  380.158   10.475  380.158   10.475 -0.000000 0.000000 
1 1 1   11    0    6 o  497.864   12.556  1684.73   84.591   0.0000   0.0000  1684.73   84.591  497.864   12.556  497.864   12.556 -0.000000 0.000000 
1 1 1   11    0    7 o  671.046   15.896  3062.30  144.365   0.0000   0.0000  3062.30  144.365  671.046   15.896  671.046   15.896 -0.000000 0.000000 
1 1 1   11    0    8 o  397.258   10.746  1072.61   57.755   0.0000   0.0000  1072.61   57.755  397.258   10.746  397.258   10.746 -0.000000 0.000000 
1 1 1   11    0    9 o  146.946   7.6040  147.546   15.049   0.0000   0.0000  147.546   15.049  146.946   7.6040  146.946   7.6040 -0.000000 0.000000 
1 1 1   11    0   10 o  312.264   6.6113  662.830   27.917  656.754   39.184  669.094   39.785  310.810   9.3222  313.718   9.3772 -0.000000 0.000000 
1 1 1   11    0   12 o  459.270   8.3611  1431.85   51.930  1383.51   71.990  1484.28   74.980  451.187   11.793  467.353   11.856 -0.000000 0.000000 
1 1 1   11    0   13 o  484.910   8.6978  1593.31   56.990  1698.26   83.212  1500.61   78.211  499.934   12.299  469.885   12.302 -0.000000 0.000000 
1 1 1   11    0   14 o  128.661   5.3384  113.691   9.1916  125.400   12.987  101.940   13.011  135.462   7.1196  121.861   7.9565 -0.000000 0.000000 
1 1 1   11    0   15 o  313.258   6.6182  667.036   28.036  676.258   39.674  657.837   39.624  315.433   9.2997  311.083   9.4190 -0.000000 0.000000 
1 1 1   11    0   16 f  460.310   8.3881  1433.86   52.140  1550.23   76.532  1333.07   71.226  477.705   11.839  442.914   11.886 -0.000000 0.000000 
1 1 1   11    0   17 o  321.234   6.7301  699.903   29.197  753.724   42.285  650.861   40.364  333.057   9.3858  309.411   9.6479 -0.000000 0.000000 
1 1 1   11    0   18 o  750.940   17.445  3832.42  177.312  3832.42  177.312   0.0000   0.0000  750.940   17.445  750.940   17.445 -0.000000 0.000000 
1 1 1   11    0   19 o  644.872   15.322  2825.43  133.727  2825.43  133.727   0.0000   0.0000  644.872   15.322  644.872   15.322 -0.000000 0.000000 
1 1 1   11    0   20 o  262.620   6.1453  468.757   21.795  497.347   31.194  441.486   30.466  270.483   8.5295  254.757   8.8490 -0.000000 0.000000 
1 1 1   11    0   21 o  937.077   15.053  5970.30  190.929  5998.81  270.561  5942.02  269.472  939.310   21.280  934.843   21.296 -0.000000 0.000000 
1 1 1   11    0   22 o  1062.06   16.905  7661.46  242.829  7397.22  335.200  7953.28  352.259  1042.82   23.748  1081.31   24.067 -0.000000 0.000000 
1 1 1   11    0   23 o  538.200   9.4095  1966.50   68.508  1922.20   95.382  2013.71   98.463  531.937   13.251  544.462   13.363 -0.000000 0.000000 
1 1 1   11    0   24 o  420.957   7.9272  1199.14   45.056  1301.46   66.053  1110.10   61.617  437.726   11.152  404.187   11.269 -0.000000 0.000000 
1 1 1   11    0   25 o  861.237   13.966  5037.82  162.726  5195.44  234.433  4891.26  226.055  874.237   19.811  848.237   19.690 -0.000000 0.000000 
1 1 1   11    0   26 o  1425.62   22.382 13853.70  431.917 13885.42  611.594 13822.14  610.054  1427.25   31.656  1423.99   31.649 -0.000000 0.000000 
1 1 1   11    0   27 o  632.343   10.711  2713.37   91.604  2620.84  126.688  2814.76  132.609  621.049   15.073  643.637   15.223 -0.000000 0.000000 
1 1 1   11    0   28 o  255.659   6.1778  443.613   21.304  484.637   30.864  406.280   29.443  266.984   8.5505  244.334   8.9192 -0.000000 0.000000 
1 1 1   11    0   29 o  535.604   9.4217  1942.59   68.171  2077.70   99.899  1824.85   93.261  553.002   13.348  518.205   13.300 -0.000000 0.000000 
1 1 1   11    0   30 o  816.582   13.337  4526.33  147.257  4348.08  202.842  4724.97  214.122  799.606   18.743  833.558   18.978 -0.000000 0.000000 
1 1 1   11    0   31 o  660.255   15.745  2963.32  140.694   0.0000   0.0000  2963.32  140.694  660.255   15.745  660.255   15.745 -0.000000 0.000000 
1 1 1   11    0   32 o  780.342   18.148  4141.67  191.674   0.0000   0.0000  4141.67  191.674  780.342   18.148  780.342   18.148 -0.000000 0.000000 
1 1 1   11    0   33 o  144.360   5.8198  142.506   11.293  135.923   15.719  149.527   16.235  140.873   8.3003  147.848   8.1601 -0.000000 0.000000 
1 1 1   11    0   34 o  513.842   9.1650  1790.27   63.648  1895.79   92.736  1696.29   87.516  528.147   12.975  499.537   12.948 -0.000000 0.000000 
1 1 1   11    0   35 o  251.629   6.2529  430.313   21.241  457.702   30.606  404.862   29.503  259.386   8.7296  243.873   8.9547 -0.000000 0.000000 
1 1 1   11    0   37 o  699.394   11.721  3312.08  110.654  3093.27  150.071  3572.78  163.807  674.187   16.448  724.601   16.702 -0.000000 0.000000 
1 1 1   11    0   38 o  658.599   15.745  2951.74  140.342  2951.74  140.342   0.0000   0.0000  658.599   15.745  658.599   15.745 -0.000000 0.000000 
1 1 1   11    0   39 o  270.707   6.5019  496.601   23.734  455.635   32.436  543.810   34.819  258.690   9.2797  282.724   9.1096 -0.000000 0.000000 
1 1 1   11    0   42 o  158.852   5.8862  172.279   12.569  186.815   18.149  158.882   17.424  165.364   8.1442  152.339   8.5008 -0.000000 0.000000 
1 1 1   11    0   43 o  149.990   5.8699  153.885   11.842  160.437   16.993  147.700   16.510  153.130   8.2436  146.850   8.3586 -0.000000 0.000000 
1 1 1   11    0   45 o  331.366   7.0854  743.576   31.657  673.613   43.141  825.197   46.597  314.501   10.146  348.232   9.8925 -0.000000 0.000000 
1 1 1   11    0   47 o  310.982   6.9167  656.359   29.016  598.420   39.859  721.674   42.320  296.362   9.9502  325.602   9.6102 -0.000000 0.000000 
1 1 1   11    0   48 o  209.308   6.1384  297.525   17.294  329.714   25.373  269.599   23.633  219.909   8.5437  198.708   8.8162 -0.000000 0.000000 
1 1 1   11    0   49 o  286.700   9.3886  559.956   36.388   0.0000   0.0000  559.956   36.388  286.700   9.3886  286.700   9.3886 -0.000000 0.000000 
1 1 1   11    0   50 o  173.596   8.4270  206.011   19.718   0.0000   0.0000  206.011   19.718  173.596   8.4270  173.596   8.4270 -0.000000 0.000000 
1 1 1   11    0   52 o  102.236   6.7610   72.835   9.1723   73.224   13.230   72.474   12.727  102.455   9.7309  102.018   9.3891 -0.000000 0.000000 
1 1 1   11    0   54 o  239.608   6.4851  390.232   20.907  345.709   28.672  440.783   30.551  224.957   9.4431  254.258   8.8914 -0.000000 0.000000 
1 1 1   11    0   55 o  359.224   10.596  880.058   51.479  880.058   51.479   0.0000   0.0000  359.224   10.596  359.224   10.596 -0.000000 0.000000 
1 1 1   11    0   56 o  114.588   6.8094   91.190   10.394   88.000   14.765   94.323   14.633  112.493   9.8599  116.683   9.3945 -0.000000 0.000000 
1 1 1   11    0   57 o  170.825   6.2533  199.493   14.366  214.803   20.803  185.535   19.863  177.155   8.7135  164.495   8.9716 -0.000000 0.000000 
1 1 1   11    0   58 o  209.681   6.3909  299.176   18.033  330.721   26.456  271.799   24.646  220.042   8.9054  199.320   9.1688 -0.000000 0.000000 
1 1 1   11    0   59 o   34.921   11.924   11.919   7.1826   5.9785   10.619   16.929   9.7518   27.788   16.418   42.053   17.297 -0.000000 0.000000 
1 1 1   11    0   62 o  182.704   6.5481  227.248   16.037  260.610   23.737  199.230   21.753  195.101   9.0219  170.307   9.4929 -0.000000 0.000000 
1 1 1   11    0   63 o  320.100   7.2606  698.054   31.355  640.132   43.078  763.316   45.726  305.941   10.418  334.259   10.116 -0.000000 0.000000 
1 1 1   11    0   64 o  166.872   6.6345  191.625   14.873  187.021   21.436  195.899   20.654  164.844   9.6722  168.901   9.0836 -0.000000 0.000000 
1 1 1   11    0   65 o   97.020   10.651   66.498   13.573   0.0000   0.0000   66.498   13.573   97.020   10.651   97.020   10.651 -0.000000 0.000000 
1 1 1   11    0   66 o   21.922   14.070   0.4458   9.4994   0.0000   0.0000   0.4458   9.4994   21.922   14.070   21.922   14.070 -0.000000 0.000000 
1 1 1   11    0   67 o  114.581   7.2572   91.478   10.991  105.069   16.051   79.480   15.082  122.915   9.7790  106.246   10.726 -0.000000 0.000000 
1 1 1   11    0   68 o   24.979   10.821   3.3416   7.0377   6.1357   10.444   1.0180   9.5247   27.621   16.299   22.337   14.238 -0.000000 0.000000 
1 1 1   11    0   69 o  100.001   7.7281   70.826   10.157   74.624   14.667   67.327   14.078  102.705   10.812   97.297   11.045 -0.000000 0.000000 
1 1 1   11    0   70 o  111.824   10.376   87.887   15.412   87.887   15.412   0.0000   0.0000  111.824   10.376  111.824   10.376 -0.000000 0.000000 
1 1 1   11    0   71 o   74.110   10.634   42.493   9.4057   44.844   13.004   39.913   13.621   77.246   13.711   70.975   16.260 -0.000000 0.000000 
1 1 1   11    0   72 o  119.085   7.4981   99.391   11.778  103.143   17.986   96.574   15.583  120.826   11.206  117.343   9.9653 -0.000000 0.000000 
1 1 1   11    0   74 o   38.069   12.976   14.953   7.9258   18.703   11.524   11.588   10.918   42.766   18.901   33.373   17.784 -0.000000 0.000000 
1 1 1   11    0   75 o  104.511   7.6784   77.825   10.590   81.613   15.506   74.513   14.498  106.905   10.968  102.117   10.749 -0.000000 0.000000 
1 1 1   11    0   76 o  137.773   7.2181  132.834   13.050  168.142   19.287  103.023   17.722  155.287   9.2402  120.259   11.091 -0.000000 0.000000 
1 1 1   11    0   77 o   92.653   8.3587   62.876   9.9757   58.452   14.178   67.213   14.039   88.914   12.470   96.391   11.134 -0.000000 0.000000 
1 1 1   11    0   78 o   61.721   12.002   32.474   8.6923   35.667   12.566   29.545   12.036   65.661   16.320   57.782   17.601 -0.000000 0.000000 
1 1 1   11    0   79 o   43.143   18.912   19.540   11.541   0.0000   0.0000   19.540   11.541   43.143   18.912   43.143   18.912 -0.000000 0.000000 
1 1 1   11    0   80 f   86.301   12.405   55.671   13.637   0.0000   0.0000   55.671   13.637   86.301   12.405   86.301   12.405 -0.000000 0.000000 
1 1 1   11    0   81 o   22.478   10.187   1.1165   7.1167  -2.0151   10.166   4.1258   9.9658   20.398   13.590   24.559   15.180 -0.000000 0.000000 
1 1 1   11    0   82 o   58.075   12.522   30.766   8.7433   25.711   12.475   35.647   12.257   50.762   19.292   65.388   15.968 -0.000000 0.000000 
1 1 1   11    0   83 o   77.303   11.313   48.274   9.8561   76.610   15.124   27.358   12.994  102.274   11.261   52.332   19.624 -0.000000 0.000000 
1 1 1   11    0   84 o   38.020   19.311   16.634   12.447   16.634   12.447   0.0000   0.0000   38.020   19.311   38.020   19.311 -0.000000 0.000000 
1 1 1   11    0   85 o   21.494   9.9136  -4.9095   7.6695   7.5675   11.013 -16.6574   10.687   27.963   16.626   15.025   10.802 -0.000000 0.000000 
1 1 1   11    0   86 o   38.321   13.092   15.807   8.4599   9.2382   11.387   23.901   12.639   29.552   17.211   47.089   19.734 -0.000000 0.000000 
1 1 1   11    0   87 o   20.511   9.8057  -3.2570   8.0083  -2.2214   11.001  -4.4243   11.680   20.739   13.916   20.284   13.818 -0.000000 0.000000 
1 1 1   11    0   88 o   21.976   10.251  -2.7343   8.1753   6.2291   11.766 -11.1007   11.368   26.710   16.503   17.242   12.165 -0.000000 0.000000 
1 1 1   11    0   89 o   26.408   11.511   4.2270   8.4754   12.447   12.401  -2.9778   11.610   32.151   18.283   20.666   13.993 -0.000000 0.000000 
1 1 1   11    0   90 o   27.111   11.805   6.4280   8.6614   11.458   12.409   1.6497   12.095   30.854   17.968   23.368   15.315 -0.000000 0.000000 
1 1 1   11    0   91 o   49.599   20.300   28.230   13.450   0.0000   0.0000   28.230   13.450   49.599   20.300   49.599   20.300 -0.000000 0.000000 
1 1 1   11    0   92 o   31.774   18.386   13.390   12.865   0.0000   0.0000   13.390   12.865   31.774   18.386   31.774   18.386 -0.000000 0.000000 
1 1 1   11    1    0 o  276.933   5.3459  513.055   18.906  499.762   23.005  540.718   33.185  271.513   6.2523  282.352   8.6731 -10.83801 10.69180 
1 1 1   11    1    1 o  493.797   7.2106  1658.44   41.756  1646.63   83.430  1662.39   48.232  492.444   12.502  495.149   7.1882 -2.704987 14.42118 
1 1 1   11    1    2 o  462.068   6.9657  1492.57   38.298  1356.08   73.115  1544.18   44.959  446.909   12.073  477.226   6.9521 -30.31680 13.93133 
1 1 1   11    1    3 o  310.534   5.7110  647.656   22.547  672.256   39.786  636.018   27.366  314.787   9.3268  306.282   6.5933 8.505005 11.42192 
1 1 1   11    1    4 o  210.165   4.0067  299.345   11.409  308.034   16.266  290.930   16.006  213.167   5.6309  207.163   5.7015 6.003983 8.013367 
1 1 1   11    1    5 o  369.262   5.1206  924.631   25.623  921.351   36.170  927.935   36.304  368.605   7.2411  369.920   7.2422 -1.314697 10.24121 
1 1 1   11    1    6 o  512.232   6.3865  1780.08   44.331  1780.90   62.704  1779.27   62.684  512.349   9.0312  512.115   9.0325 0.2341919 12.77297 
1 1 1   11    1    7 o  239.927   5.0656  389.904   15.565  391.746   26.860  388.973   19.099  240.322   8.2476  239.533   5.8837 0.7890320 10.13117 
1 1 1   11    1    8 o  249.457   5.8882  422.106   19.904  421.974   28.276  422.235   28.023  249.417   8.3659  249.497   8.2884 -0.7980347E-01 11.77649 
1 1 1   11    1    9 o  645.553   7.6683  2828.52   67.079  2798.24   94.193  2859.67   95.550  642.050   10.826  649.055   10.863 -7.005676 15.33667 
1 1 1   11    1   10 o  752.456   8.7373  3845.18   89.091  3864.83  126.368  3825.76  125.623  754.366   12.361  750.545   12.351 3.821228 17.47456 
1 1 1   11    1   11 o  630.200   7.5221  2694.91   64.232  2655.14   90.045  2736.11   91.652  625.469   10.624  634.931   10.652 -9.462036 15.04414 
1 1 1   11    1   12 o  725.831   10.337  3530.90   94.978  3445.31  114.668  3717.95  169.510  712.379   11.878  739.283   16.920 -26.90411 20.67316 
1 1 1   11    1   13 o  567.392   9.7593  2184.04   75.039  2184.04   75.039   0.0000   0.0000  567.392   9.7593  ?   ?       ?      ? 
1 1 1   11    1   14 o  943.289   15.116  6045.78  193.228  6045.78  193.228   0.0000   0.0000  943.289   15.116  ?   ?       ?      ? 
1 1 1   11    1   15 o  736.104   10.529  3697.37   99.243  3732.74  122.143  3628.66  170.245  741.613   12.154  730.595   17.196 11.01813 21.05703 
1 1 1   11    1   16 o  1044.82   11.746  7417.83  166.304  7395.56  234.748  7440.27  235.634  1043.25   16.605  1046.40   16.617 -3.146362 23.49142 
1 1 1   11    1   17 o  964.889   10.907  6322.69  142.610  6334.62  201.919  6310.81  201.444  965.797   15.428  963.981   15.421 1.815369 21.81329 
1 1 1   11    1   18 o  674.015   7.9488  3080.88   72.592  3031.74  101.608  3132.10  103.747  668.530   11.216  679.501   11.267 -10.97137 15.89754 
1 1 1   11    1   19 o  385.375   5.2556  1006.60   27.444  993.026   38.514  1020.60   39.117  382.736   7.4258  388.014   7.4394 -5.278107 10.51129 
1 1 1   11    1   20 f  601.625   7.2369  2454.53   59.000  2436.95   83.022  2472.46   83.860  599.451   10.220  603.800   10.249 -4.349609 14.47388 
1 1 1   11    1   21 o  572.049   8.5259  2229.55   62.542  2190.26  107.026  2249.92   77.070  568.090   13.902  576.008   9.8736 -7.918274 17.05184 
1 1 1   11    1   22 o  952.997   13.213  6152.70  160.506  6227.67  280.025  6116.02  195.876  956.841   21.596  949.154   15.229 7.687012 26.42543 
1 1 1   11    1   23 o  756.340   8.7805  3876.17   89.935  3745.25  124.447  4019.29  130.117  742.994   12.360  769.687   12.475 -26.69312 17.56104 
1 1 1   11    1   24 o  457.121   5.9059  1416.26   36.579  1449.07   52.227  1384.67   51.248  462.317   8.3363  451.925   8.3682 10.39188 11.81188 
1 1 1   11    1   25 o  670.139   7.9215  3044.02   71.909  2964.73  100.022  3128.85  103.455  661.115   11.164  679.164   11.241 -18.04840 15.84295 
1 1 1   11    1   26 f  743.384   8.6588  3744.00   87.158  3607.89  120.393  3893.90  126.344  729.213   12.183  757.554   12.307 -28.34149 17.31752 
1 1 1   11    1   27 o  724.411   8.4661  3556.33   83.058  3688.32  120.058  3435.16  115.026  737.284   12.016  711.538   11.929 25.74567 16.93230 
1 1 1   11    1   28 o  693.667   9.9698  3195.41   87.015  3458.42  158.076  3081.07  104.227  713.452   16.350  673.881   11.413 39.57074 19.93960 
1 1 1   11    1   29 f  835.384   11.759  4737.71  125.426  4758.30  217.694  4727.48  153.457  836.319   19.208  834.449   13.571 1.869934 23.51867 
1 1 1   11    1   30 o  610.719   7.3537  2530.38   60.860  2537.00   86.121  2523.78   86.018  611.517   10.392  609.921   10.407 1.596069 14.70749 
1 1 1   11    1   31 o  658.071   7.8202  2937.87   69.728  2994.92   99.651  2883.15   97.601  664.327   11.069  651.815   11.050 12.51172 15.64039 
1 1 1   11    1   32 o  553.080   6.8202  2073.65   51.097  2016.89   71.052  2134.45   73.535  545.249   9.6161  560.910   9.6743 -15.66125 13.64045 
1 1 1   11    1   33 o  431.006   5.7154  1258.49   33.363  1313.10   48.063  1207.70   46.350  440.022   8.0603  421.991   8.1051 18.03162 11.43071 
1 1 1   11    1   34 o  612.161   9.0806  2557.19   71.121  2581.60   87.454  2509.51  122.214  616.751   10.464  607.572   14.844 9.178894 18.16112 
1 1 1   11    1   35 o  478.753   8.6701  1554.93   56.250  1554.93   56.250   0.0000   0.0000  478.753   8.6701  ?   ?       ?      ? 
1 1 1   11    1   36 o  196.346   5.1602  267.205   12.860  278.901   15.840  244.583   22.028  202.824   5.7629  189.868   8.5615 12.95604 10.32037 
1 1 1   11    1   37 o  323.250   4.8656  708.669   21.313  712.503   30.100  704.814   30.182  324.128   6.8529  322.372   6.9090 1.756073 9.731179 
1 1 1   11    1   38 o  655.067   7.8338  2914.03   69.524  2859.04   97.051  2972.00   99.644  648.727   11.040  661.406   11.117 -12.67828 15.66751 
1 1 1   11    1   39 o  668.367   7.9704  3035.93   72.190  3041.32  102.079  3030.54  102.105  668.963   11.260  667.771   11.283 1.191284 15.94083 
1 1 1   11    1   40 o  453.038   7.2659  1383.76   41.901  1425.69   73.620  1363.67   50.960  457.867   11.865  448.208   8.3901 9.659332 14.53189 
1 1 1   11    1   41 o  349.859   10.218  831.827   48.445  831.827   48.445   0.0000   0.0000  349.859   10.218  ?   ?       ?      ? 
1 1 1   11    1   42 o  394.720   5.4553  1057.64   29.180  1058.36   41.197  1056.92   41.337  394.856   7.6992  394.584   7.7307 0.2718811 10.91066 
1 1 1   11    1   43 o  201.236   4.2314  274.735   11.536  282.770   16.360  266.788   16.270  204.166   5.9131  198.307   6.0543 5.859009 8.462842 
1 1 1   11    1   44 o  247.443   6.2598  415.455   20.990  415.455   20.990   0.0000   0.0000  247.443   6.2598  ?   ?       ?      ? 
1 1 1   11    1   45 o  282.746   4.6448  542.565   17.796  549.767   25.268  535.477   25.068  284.608   6.5515  280.883   6.5860 3.725616 9.289607 
1 1 1   11    1   46 o  517.049   6.5513  1817.81   45.901  1835.68   65.211  1800.25   64.621  519.569   9.2619  514.528   9.2680 5.040527 13.10255 
1 1 1   11    1   47 o  380.364   6.5803  988.689   32.110  969.625   54.858  998.625   39.602  377.320   10.729  383.408   7.6222 -6.087616 13.16067 
1 1 1   11    1   48 o  248.197   6.3800  418.203   21.458  418.203   21.458   0.0000   0.0000  248.197   6.3800  ?   ?       ?      ? 
1 1 1   11    1   49 o   76.819   5.0914   40.087   5.2842   36.051   7.3764   44.341   7.5734   72.839   7.4730   80.798   6.9169 -7.958481 10.18278 
1 1 1   11    1   50 o  115.661   4.4478   90.767   6.9588   83.441   9.6983   98.541   9.9905  110.848   6.4563  120.475   6.1194 -9.626541 8.895608 
1 1 1   11    1   51 o  328.566   6.1339  729.920   25.681  720.978   31.285  748.395   44.969  325.734   7.0875  331.398   10.013 -5.664307 12.26784 
1 1 1   11    1   52 o  194.472   8.6603  257.411   22.823   0.0000   0.0000  257.411   22.823  ?   ?   194.472   8.6603      ?      ? 
1 1 1   11    1   53 o  195.331   5.3017  253.854   13.172  243.860   15.921  275.532   23.450  189.480   6.2007  201.182   8.6014 -11.70221 10.60339 
1 1 1   11    1   54 o  230.094   4.4852  359.606   13.978  376.087   19.935  343.667   19.605  235.287   6.2523  224.900   6.4326 10.38719 8.970475 
1 1 1   11    1   55 o  357.394   5.2561  868.831   25.456  874.602   36.045  863.088   35.955  358.581   7.4178  356.207   7.4487 2.373932 10.51225 
1 1 1   11    1   56 o  255.543   6.5513  443.875   22.687   0.0000   0.0000  443.875   22.687  ?   ?   255.543   6.5513      ?      ? 
1 1 1   11    1   57 o  144.367   5.5085  141.905   10.114  141.821   17.665  141.946   12.336  144.218   9.0387  144.516   6.2989 -0.2980804 11.01695 
1 1 1   11    1   59 o  268.948   4.7510  491.771   17.311  477.272   24.215  506.927   24.757  264.892   6.7459  273.005   6.6919 -8.113708 9.502018 
1 1 1   11    1   60 o  264.348   4.7322  474.901   16.941  452.052   23.577  499.288   24.358  257.772   6.7495  270.924   6.6346 -13.15155 9.464383 
1 1 1   11    1   61 o  185.297   6.4207  233.551   16.123  233.551   16.123   0.0000   0.0000  185.297   6.4207  ?   ?       ?      ? 
1 1 1   11    1   62 o  300.846   4.9728  616.161   20.270  602.859   28.411  629.952   28.930  297.537   7.0463  304.155   7.0189 -6.618195 9.945599 
1 1 1   11    1   63 o  249.171   5.8770  436.796   18.782  380.448   30.995  469.491   23.610  235.743   9.7023  262.598   6.6348 -26.85437 11.75395 
1 1 1   11    1   64 o  125.806   5.9914  111.089   9.6096   99.015   16.170  117.681   11.948  120.178   9.9291  131.434   6.7084 -11.25651 11.98285 
1 1 1   11    1   65 o  116.831   4.9532   93.084   7.8416   94.331   11.114   91.848   11.065  117.614   6.9732  116.049   7.0363 1.565155 9.906336 
1 1 1   11    1   66 o   84.472   5.7732   48.824   6.6008   45.751   9.2654   51.992   9.4061   81.752   8.3634   87.192   7.9607 -5.439789 11.54640 
1 1 1   11    1   67 o  127.950   5.8984  114.115   9.6636  118.468   11.994  106.059   16.315  131.742   6.7182  124.158   9.6969 7.583427 11.79676 
1 1 1   11    1   68 o   96.040   6.9833   66.150   8.2241   70.171   9.9210   57.318   14.704  101.283   7.2283   90.796   11.951 10.48650 13.96652 
1 1 1   11    1   69 o  225.820   6.6573  348.656   20.372  348.656   20.372   0.0000   0.0000  225.820   6.6573  ?   ?       ?      ? 
1 1 1   11    1   70 o  151.843   5.7215  153.013   11.140  175.679   19.714  142.379   13.503  159.511   9.1200  144.174   6.9112 15.33714 11.44292 
1 1 1   11    1   71 o   74.226   6.2984   38.348   6.2826   33.238   8.9770   43.254   8.7957   69.233   9.5684   79.220   8.1931 -9.987434 12.59689 
1 1 1   11    1   72 f  100.107   6.6072   68.966   8.3204   71.344   14.927   67.894   10.022  100.901   10.916   99.313   7.4466 1.587593 13.21443 
1 1 1   11    1   73 o  137.075   4.8483  129.326   8.9985  124.005   12.771  134.572   12.681  134.223   7.0215  139.927   6.6874 -5.703278 9.696558 
1 1 1   11    1   74 o  131.070   4.8847  118.406   8.6740  115.173   12.244  121.663   12.290  129.247   6.9906  132.893   6.8245 -3.645844 9.769466 
1 1 1   11    1   75 o   60.663   10.069   25.946   8.2772   0.0000   0.0000   25.946   8.2772  ?   ?    60.663   10.069      ?      ? 
1 1 1   11    1   76 o  122.942   5.9958  103.383   9.6186  114.235   16.242   97.522   11.937  127.360   9.4110  118.524   7.4319 8.836319 11.99166 
1 1 1   11    1   77 o   69.688   8.4084   35.978   7.2538   36.637   8.9180   34.689   12.470   72.066   9.1317   67.311   14.121 4.755562 16.81671 
1 1 1   11    1   78 o   39.654   8.8617   11.626   6.2040  -0.9156   10.629   18.106   7.6404   30.294   13.338   49.014   11.671 -18.71979 17.72337 
1 1 1   11    1   79 o   41.844   8.6841   13.054   5.4662   17.899   7.7519   8.2627   7.7091   48.516   11.885   35.173   12.665 13.34309 17.36817 
1 1 1   11    1   80 o  103.615   5.4104   75.690   7.5669   82.119   10.614   69.044   10.791  108.302   7.2317   98.927   8.0495 9.375862 10.82087 
1 1 1   11    1   81 o   92.073   7.2075   62.932   8.3136   65.855   10.184   57.093   14.395   96.623   7.7776   87.523   12.137 9.100197 14.41493 
1 1 1   11    1   82 o   34.699   9.7404   5.6433   6.4275   3.2850   7.7421   10.874   11.530   29.374   12.085   40.024   15.279 -10.65017 19.48070 
1 1 1   11    1   83 o   32.741   8.9266   6.4145   5.6036   6.1987   7.9353   6.6291   7.9140   32.513   12.607   32.968   12.641 -0.4548492 17.85312 
1 1 1   11    1   84 o   64.634   7.6752   31.708   6.4100   23.798   9.0318   39.735   9.0987   55.087   12.398   74.181   9.0512 -19.09367 15.35046 
1 1 1   11    1   85 o   39.569   9.2988   11.863   6.9534  -2.9560   12.004   19.347   8.5303   29.898   13.585   49.240   12.701 -19.34188 18.59764 
1 1 1   11    1   86 f   32.943   9.0886   6.6168   5.9018   4.8924   8.4453   8.2628   8.2509   31.260   12.713   34.625   12.992 -3.365421 18.17719 
1 1 1   11    1   87 o   31.314   7.8887   0.1418   5.7496 -15.0601   8.0501   15.972   8.2147   18.417   9.0735   44.211   12.907 -25.79407 15.77744 
1 1 1   11    1   88 o   34.777   8.3093   4.9003   6.0285  -8.3229   8.3753   19.117   8.6844   21.639   10.314   47.916   13.030 -26.27695 16.61854 
1 1 1   11    1   89 o   68.739   7.9421   37.055   7.1338   44.814   10.390   30.136   9.8119   76.828   9.9799   60.650   12.358 16.17788 15.88427 
1 1 1   11    1   90 o   39.565   10.534   11.950   7.3144   19.744   12.877   8.2371   8.8875   45.371   16.365   33.759   13.270 11.61191 21.06864 
1 1 1   11    1   91 o   51.571   9.8942   27.041   7.9974   12.517   13.718   34.520   9.8433   38.497   15.984   64.645   11.665 -26.14807 19.78847 
1 1 1   11    1   92 o   39.715   10.694   15.107   7.8718   14.095   13.522   15.625   9.6813   38.751   15.960   40.679   14.237 -1.927441 21.38722 
1 1 1   11    2    0 o  292.656   5.5069  582.662   20.711  586.649   25.565  575.049   35.328  294.159   6.4133  291.154   8.9539 3.005707 11.01373 
1 1 1   11    2    1 o  222.120   4.9263  337.510   14.087  344.349   17.485  324.859   23.782  225.381   5.7247  218.858   8.0187 6.522339 9.852516 
1 1 1   11    2    2 o  211.982   4.9321  301.310   13.105  313.580   23.765  295.948   15.710  215.020   8.1560  208.944   5.5482 6.076035 9.864240 
1 1 1   11    2    3 o  131.657   4.6001  115.390   7.4902  122.727   13.980  112.435   8.8709  134.523   7.6688  128.792   5.0827 5.730972 9.200255 
1 1 1   11    2    4 f  479.804   7.4679  1560.63   45.540  1568.17   79.775  1556.98   55.466  480.518   12.251  479.090   8.5433 1.427917 14.93573 
1 1 1   11    2    5 o  599.288   8.8864  2459.68   68.219  2376.93  116.466  2502.90   84.170  591.299   14.535  607.277   10.228 -15.97766 17.77271 
1 1 1   11    2    6 o  365.047   6.1632  903.899   28.892  903.670   35.574  904.343   49.524  365.049   7.1911  365.044   10.011 0.4333496E-02 12.32632 
1 1 1   11    2    7 o  293.981   5.4215  574.477   20.389  552.245   24.783  621.036   35.864  285.397   6.4081  302.566   8.7469 -17.16940 10.84306 
1 1 1   11    2    8 o  430.364   5.6399  1256.01   32.889  1239.83   46.188  1272.64   46.844  427.554   7.9719  433.174   7.9800 -5.620209 11.27970 
1 1 1   11    2    9 o  458.284   5.8822  1424.52   36.531  1430.23   51.760  1418.86   51.564  459.199   8.3179  457.369   8.3196 1.829712 11.76447 
1 1 1   11    2   10 o  443.933   5.7580  1336.59   34.639  1343.24   49.086  1329.99   48.889  445.034   8.1392  442.832   8.1469 2.201660 11.51602 
1 1 1   11    2   11 o  175.913   3.8202  209.743   9.1057  205.183   12.820  214.386   12.935  173.983   5.4377  177.843   5.3672 -3.859909 7.640387 
1 1 1   11    2   12 f  660.279   9.6036  3005.10   82.009  2808.30  135.948  3117.68  102.825  642.780   15.607  677.779   11.195 -34.99884 19.20719 
1 1 1   11    2   13 o  557.565   8.3042  2109.19   59.291  2107.64   72.777  2112.23  102.244  557.414   9.6346  557.717   13.528 -0.3027954 16.60837 
1 1 1   11    2   14 o  472.726   6.0214  1515.35   38.573  1525.06   54.683  1505.74   54.420  474.232   8.5089  471.219   8.5222 3.013214 12.04285 
1 1 1   11    2   15 o  562.034   6.8612  2141.86   52.250  2179.85   74.601  2105.27   73.204  566.925   9.7104  557.143   9.6959 9.782288 13.72231 
1 1 1   11    2   16 o  983.418   11.105  6566.04  147.966  6692.71  211.825  6445.34  206.777  992.671   15.747  974.165   15.663 18.50519 22.21040 
1 1 1   11    2   17 o  812.097   11.458  4429.35  117.718  4342.74  142.186  4618.09  209.894  799.952   13.116  824.242   18.792 -24.28931 22.91633 
1 1 1   11    2   18 o  329.274   5.9641  733.526   24.888  730.695   30.220  739.495   43.880  328.325   6.7921  330.223   9.8056 -1.898438 11.92819 
1 1 1   11    2   19 o  322.029   4.7544  701.344   20.724  661.971   28.562  745.117   30.116  312.506   6.7445  331.553   6.7029 -19.04639 9.508774 
1 1 1   11    2   20 f  447.850   5.8075  1359.14   35.237  1395.82   50.447  1324.19   49.241  453.749   8.2042  441.952   8.2218 11.79712 11.61492 
1 1 1   11    2   21 o  399.343   5.3894  1080.81   29.162  1064.56   40.842  1097.72   41.652  396.281   7.6053  402.405   7.6382 -6.124054 10.77886 
1 1 1   11    2   22 o  223.845   4.1248  337.888   12.473  303.719   17.024  377.488   18.327  211.688   5.9344  236.002   5.7305 -24.31430 8.249537 
1 1 1   11    2   23 o  248.674   5.9874  419.129   20.177  419.129   20.177   0.0000   0.0000  248.674   5.9874  ?   ?       ?      ? 
1 1 1   11    2   24 o  144.338   4.7707  139.144   8.7992  147.383   15.444  135.184   10.707  147.447   7.7291  141.230   5.5946 6.216629 9.541399 
1 1 1   11    2   25 o  546.158   9.5225  2022.77   70.478   0.0000   0.0000  2022.77   70.478  ?   ?   546.158   9.5225      ?      ? 
1 1 1   11    2   26 o  677.736   9.7762  3080.40   84.031  3223.79  149.252  3013.85  101.678  688.938   15.987  666.535   11.257 22.40308 19.55230 
1 1 1   11    2   27 o  246.546   4.2796  411.982   14.291  429.824   20.337  394.575   20.087  251.821   5.9595  241.271   6.1438 10.54906 8.559297 
1 1 1   11    2   28 o  509.527   6.3965  1760.26   44.161  1738.21   61.851  1783.19   63.073  506.274   9.0152  512.779   9.0768 -6.504761 12.79309 
1 1 1   11    2   29 f  221.218   4.1656  331.579   12.484  326.045   17.412  337.434   17.909  219.320   5.8586  223.116   5.9233 -3.796478 8.331223 
1 1 1   11    2   30 o  364.190   5.1456  897.677   25.370  953.136   36.708  846.966   35.102  374.941   7.2247  353.439   7.3288 21.50201 10.29111 
1 1 1   11    2   31 o  324.151   4.8425  711.658   21.260  688.393   29.503  736.788   30.664  318.646   6.8325  329.656   6.8640 -11.00934 9.684948 
1 1 1   11    2   32 o  250.030   5.2316  408.572   16.595  382.791   19.917  467.121   30.014  237.624   6.1851  262.437   8.4395 -24.81331 10.46324 
1 1 1   11    2   33 o  540.041   8.2010  1988.47   56.737  2006.41   69.847  1953.67   97.280  543.812   9.4780  536.270   13.386 7.542603 16.40193 
1 1 1   11    2   34 o  678.322   8.0380  3122.59   73.870  3196.96  105.800  3051.86  103.186  686.197   11.378  670.448   11.357 15.74945 16.07601 
1 1 1   11    2   35 o  419.711   5.6296  1194.72   32.016  1182.58   44.914  1207.25   45.651  417.547   7.9376  421.875   7.9852 -4.328827 11.25921 
1 1 1   11    2   36 o  412.833   6.8603  1155.38   35.990  1152.67   43.826  1160.99   63.067  412.216   7.8456  413.449   11.256 -1.232758 13.72067 
1 1 1   11    2   37 o  185.542   5.0857  230.057   11.896  224.346   14.306  242.856   21.415  181.900   5.8036  189.184   8.3531 -7.284698 10.17137 
1 1 1   11    2   38 o  201.906   4.1946  276.549   11.470  287.620   16.220  265.476   16.222  205.952   5.8118  197.859   6.0500 8.093445 8.389252 
1 1 1   11    2   39 o  535.260   6.6803  1945.56   48.455  1943.78   68.392  1947.35   68.661  535.016   9.4332  535.504   9.4616 -0.4875488 13.36062 
1 1 1   11    2   40 o  353.853   5.1231  849.623   24.566  851.862   34.660  847.364   34.823  354.323   7.2186  353.383   7.2717 0.9404297 10.24625 
1 1 1   11    2   41 o  281.645   4.6189  538.070   17.627  531.642   24.733  544.707   25.129  279.936   6.5197  283.353   6.5444 -3.417603 9.237723 
1 1 1   11    2   42 o  290.823   5.7666  577.909   21.478  563.180   36.769  585.538   26.462  287.888   9.4248  293.759   6.6473 -5.870483 11.53317 
1 1 1   11    2   43 o  326.614   9.8943  725.285   43.793  725.285   43.793   0.0000   0.0000  326.614   9.8943  ?   ?       ?      ? 
1 1 1   11    2   44 o  504.007   7.8374  1717.04   50.348  1764.77   88.162  1693.94   61.334  508.784   12.787  499.230   9.0660 9.553314 15.67474 
1 1 1   11    2   45 o  463.589   12.099  1464.79   76.011  1464.79   76.011   0.0000   0.0000  463.589   12.099  ?   ?       ?      ? 
1 1 1   11    2   46 o  293.274   4.7397  583.879   18.834  597.259   26.736  570.697   26.537  296.614   6.6516  289.935   6.7540 6.679108 9.479446 
1 1 1   11    2   47 o  251.133   6.3977  428.131   21.773   0.0000   0.0000  428.131   21.773  ?   ?   251.133   6.3977      ?      ? 
1 1 1   11    2   48 o  252.827   4.5237  433.916   15.497  429.957   21.722  438.019   22.116  251.655   6.3695  253.999   6.4253 -2.344025 9.047353 
1 1 1   11    2   49 f  333.612   7.1059  756.087   32.125  756.087   32.125   0.0000   0.0000  333.612   7.1059  ?   ?       ?      ? 
1 1 1   11    2   50 o  313.080   6.0938  683.054   24.494  722.435   30.649  613.435   40.751  326.098   6.9356  300.061   10.022 26.03720 12.18757 
1 1 1   11    2   51 o  326.146   6.0989  711.216   25.252  688.826   30.520  759.817   44.965  318.380   7.0737  333.911   9.9371 -15.53125 12.19771 
1 1 1   11    2   52 o  432.917   5.8491  1275.00   34.311  1300.29   48.870  1250.43   48.183  437.154   8.2494  428.681   8.2942 8.473114 11.69816 
1 1 1   11    2   53 o  274.023   5.8257  514.439   20.296  521.099   24.828  501.022   35.237  276.928   6.6160  271.118   9.5909 5.810272 11.65144 
1 1 1   11    2   54 o  224.122   4.5198  341.544   13.713  358.953   19.380  324.087   19.407  229.863   6.2216  218.382   6.5578 11.48093 9.039528 
1 1 1   11    2   55 o  114.462   4.6046   88.950   7.1372   84.447   9.9315   93.759   10.264  111.466   6.5749  117.458   6.4482 -5.992004 9.209154 
1 1 1   11    2   56 o  216.933   4.4727  319.790   13.148  317.033   18.460  322.629   18.730  215.986   6.3070  217.880   6.3436 -1.894287 8.945324 
1 1 1   11    2   58 o  221.294   5.6310  334.160   15.909  331.710   27.528  335.388   19.494  220.489   9.2132  222.099   6.4769 -1.610336 11.26202 
1 1 1   11    2   59 o  144.985   5.6093  141.614   10.334  147.765   18.267  138.719   12.532  147.143   9.1612  142.826   6.4751 4.317688 11.21851 
1 1 1   11    2   60 o  168.180   6.3628  192.354   14.501  192.354   14.501   0.0000   0.0000  168.180   6.3628  ?   ?       ?      ? 
1 1 1   11    2   61 o  172.611   5.4600  200.263   12.066  211.483   21.073  194.790   14.717  176.006   8.8351  169.217   6.4178 6.788956 10.92007 
1 1 1   11    2   62 f  112.648   6.1123   88.240   8.8053   81.642   14.892   91.787   10.918  109.196   10.064  116.099   6.9398 -6.902969 12.22456 
1 1 1   11    2   63 o   87.931   5.6284   52.939   6.6711   59.247   9.4418   46.650   9.4270   93.216   7.4745   82.646   8.4172 10.57011 11.25688 
1 1 1   11    2   64 f  147.090   4.6707  147.352   9.3076  142.705   13.066  152.138   13.262  144.730   6.6622  149.450   6.5481 -4.720703 9.341475 
1 1 1   11    2   65 o  249.404   6.7375  424.077   22.771  424.077   22.771   0.0000   0.0000  249.404   6.7375  ?   ?       ?      ? 
1 1 1   11    2   66 o  259.365   9.7186  462.345   34.159  462.345   34.159   0.0000   0.0000  259.365   9.7186  ?   ?       ?      ? 
1 1 1   11    2   67 o  131.306   6.9458  118.726   12.355  122.781   17.558  114.748   17.389  133.553   9.7013  129.060   9.9428 4.493439 13.89154 
1 1 1   11    2   68 o  161.195   5.6408  173.066   11.660  163.166   14.162  193.893   20.541  154.515   6.7636  167.875   9.0294 -13.36002 11.28163 
1 1 1   11    2   69 o  182.646   5.6314  222.535   13.137  210.436   15.901  248.551   23.316  175.404   6.6895  189.888   9.0610 -14.48367 11.26277 
1 1 1   11    2   70 o   37.604   8.8610   9.5022   5.2904   9.6608   7.3568   9.3323   7.6133   37.737   12.420   37.471   12.642 0.2656746 17.72204 
1 1 1   11    2   71 o   91.903   5.5434   58.132   6.9013   57.201   9.6021   59.126   9.9256   91.155   7.7733   92.651   7.9054 -1.495743 11.08690 
1 1 1   11    2   72 o   81.911   5.9405   46.463   6.4802   35.899   8.9284   58.224   9.4201   71.899   9.1636   91.923   7.5622 -20.02360 11.88100 
1 1 1   11    2   73 o   78.566   8.3135   48.132   7.6372   34.513   13.130   55.096   9.3889   67.845   14.705   89.287   7.7597 -21.44221 16.62706 
1 1 1   11    2   74 o  166.490   5.8885  194.399   12.434  187.372   21.570  197.895   15.216  163.451   9.7381  169.529   6.6232 -6.078079 11.77696 
1 1 1   11    2   75 o   63.477   7.0634   28.408   6.0714   29.961   8.6861   26.924   8.4897   65.213   9.8290   61.742   10.147 3.471287 14.12686 
1 1 1   11    2   76 o   46.139   9.4977   14.617   6.2296   22.409   10.398   10.254   7.7808   54.120   14.053   38.159   12.781 15.96032 18.99536 
1 1 1   11    2   77 o   51.218   8.1517   19.768   5.5732   14.957   7.8839   24.573   7.8796   44.537   12.534   57.899   10.426 -13.36177 16.30335 
1 1 1   11    2   78 o   77.938   6.0437   42.814   6.3728   39.676   8.9130   46.096   9.1155   74.934   8.7774   80.942   8.3104 -6.008202 12.08738 
1 1 1   11    2   79 o   60.410   8.5987   27.274   6.7005   27.666   10.965   27.040   8.4646   59.540   13.851   61.281   10.193 -1.741116 17.19748 
1 1 1   11    2   80 o   91.242   6.7724   56.332   8.0535   47.983   9.8742   72.924   13.919   82.085   8.8768  100.398   10.231 -18.31300 13.54480 
1 1 1   11    2   81 o   84.700   7.0652   48.784   7.7561   41.761   9.4404   63.371   13.605   76.349   9.1245   93.051   10.789 -16.70254 14.13030 
1 1 1   11    2   82 o   50.411   10.001   19.397   6.7765   17.193   8.2433   23.990   11.901   46.851   12.676   53.972   15.472 -7.121265 20.00196 
1 1 1   11    2   83 o   35.873   9.7306   7.6442   6.3898   5.6834   7.9193   11.302   10.817   31.913   12.532   39.834   14.889 -7.920492 19.46120 
1 1 1   11    2   84 o   54.734   8.5106   23.380   6.1431   24.718   8.6725   22.032   8.7027   56.528   11.707   52.939   12.356 3.588860 17.02112 
1 1 1   11    2   85 o   30.752   8.6910   4.3153   5.5890   1.0123   7.5996   8.2064   8.2484   26.795   11.542   34.710   12.997 -7.914055 17.38199 
1 1 1   11    2   86 f   77.105   6.9622   44.026   7.2461   39.847   10.236   48.224   10.259   73.104   10.333   81.106   9.3339 -8.001907 13.92433 
1 1 1   11    2   87 o   46.584   10.509   16.179   7.3496   28.073   12.778   10.300   8.9843   56.185   16.008   36.984   13.619 19.20062 21.01720 
1 1 1   11    2   88 o   50.699   10.064   23.674   7.5397   15.015   12.925   28.141   9.2830   42.250   16.166   59.149   11.992 -16.89962 20.12779 
1 1 1   11    2   89 o   38.898   9.9895   8.3556   6.9541   23.916   12.313   1.0667   8.4269   50.559   16.021   27.237   11.937 23.32216 19.97890 
1 1 1   11    2   90 o   44.240   10.697   18.560   7.8426   14.062   13.849   20.683   9.5152   40.265   16.314   48.215   13.839 -7.950413 21.39317 
1 1 1   11    2   91 o   40.040   10.039   14.877   7.6123   4.5526   12.868   20.436   9.4415   32.778   14.541   47.302   13.846 -14.52344 20.07868 
1 1 1   11    2   92 o   46.866   11.815   23.646   9.7002   30.385   14.019   17.457   13.436   52.594   17.137   41.138   16.269 11.45578 23.62964 
1 1 1   11    3    0 o  401.604   5.4143  1093.82   29.466  1090.47   41.589  1097.19   41.754  400.987   7.6536  402.221   7.6604 -1.234039 10.82866 
1 1 1   11    3    1 o  452.919   7.2302  1393.66   41.713  1388.03   72.593  1396.44   50.967  452.107   11.849  453.731   8.2891 -1.624359 14.46033 
1 1 1   11    3    2 o  422.302   6.8995  1209.58   37.087  1211.97   64.735  1208.41   45.248  422.504   11.306  422.100   7.9105 0.4040222 13.79894 
1 1 1   11    3    3 f  472.042   7.4480  1522.33   44.969  1482.14   77.166  1543.00   55.336  467.153   12.189  476.930   8.5619 -9.777496 14.89599 
1 1 1   11    3    4 o  456.954   7.2745  1427.06   42.516  1386.87   72.929  1447.75   52.328  451.918   11.908  461.990   8.3583 -10.07135 14.54897 
1 1 1   11    3    5 o  371.322   6.3404  927.272   29.829  958.192   52.931  912.882   36.109  375.740   10.395  366.905   7.2624 8.834625 12.68089 
1 1 1   11    3    6 o  673.591   9.8139  3103.00   84.778  3021.42  144.680  3145.65  104.622  666.480   16.019  680.701   11.342 -14.22113 19.62780 
1 1 1   11    3    7 o  638.122   9.3356  2743.31   75.567  2830.92  133.723  2702.21   91.595  645.265   15.293  630.979   10.712 14.28595 18.67127 
1 1 1   11    3    8 o  636.893   9.3363  2762.18   75.996  2734.15  131.166  2776.35   93.242  634.190   15.262  639.595   10.758 -5.405090 18.67257 
1 1 1   11    3    9 o  1065.71   12.015  7714.35  173.383  7455.28  239.414  8000.08  251.427  1046.95   16.875  1084.47   17.108 -37.52100 24.03045 
1 1 1   11    3   10 o  840.117   9.6330  4793.30  109.665  4758.17  154.295  4829.16  155.896  837.009   13.603  843.224   13.643 -6.214539 19.26593 
1 1 1   11    3   11 o  562.572   6.8660  2146.85   52.344  2148.45   74.001  2145.26   74.049  562.781   9.7033  562.362   9.7167 0.4187622 13.73200 
1 1 1   11    3   12 o  670.227   7.9152  3047.49   71.884  3011.75  100.885  3084.34  102.452  666.238   11.174  674.216   11.213 -7.978455 15.83041 
1 1 1   11    3   13 o  1190.95   13.300  9642.88  214.611  9487.15  300.079  9805.92  307.052  1181.12   18.748  1200.77   18.870 -19.65039 26.60006 
1 1 1   11    3   14 f  1032.74   11.622  7245.42  162.651  7200.90  229.045  7290.71  231.015  1029.54   16.417  1035.93   16.456 -6.393921 23.24482 
1 1 1   11    3   15 o  590.171   7.1327  2362.08   57.043  2346.23   80.281  2378.23   81.067  588.174   10.072  592.169   10.102 -3.995605 14.26546 
1 1 1   11    3   16 o  390.233   6.4551  1036.61   32.399  1019.69   55.121  1045.55   40.047  387.745   10.490  392.722   7.5250 -4.977905 12.91018 
1 1 1   11    3   17 o  603.515   10.224  2465.70   83.497  2338.89  114.529  2609.57  121.989  587.001   14.398  620.029   14.519 -33.02747 20.44711 
1 1 1   11    3   18 o  989.578   13.724  6760.72  175.907  7035.73  221.164  6287.19  290.213  1017.90   16.033  961.256   22.279 56.64386 27.44858 
1 1 1   11    3   19 o  1229.86   13.700 10280.45  228.327 10216.21  321.542 10345.79  324.281  1225.99   19.354  1233.73   19.396 -7.741455 27.40057 
1 1 1   11    3   20 o  762.182   12.530  3942.62  129.337  3841.03  179.087  4053.37  186.990  751.946   17.575  772.418   17.864 -20.47205 25.06011 
1 1 1   11    3   21 o  478.172   8.6711  1544.92   56.063  1690.56   82.132  1417.86   76.714  499.194   12.141  457.152   12.383 42.04187 17.34216 
1 1 1   11    3   22 o  971.138   10.998  6393.93  144.618  6169.65  199.626  6641.63  209.795  953.256   15.453  989.020   15.653 -35.76453 21.99628 
1 1 1   11    3   23 f  956.635   10.849  6213.18  140.632  6265.87  199.951  6161.60  197.835  960.646   15.359  952.623   15.325 8.022705 21.69716 
1 1 1   11    3   24 o  1023.72   11.563  7082.32  159.967  7621.93  237.157  6631.87  216.682  1059.29   16.521  988.148   16.181 71.14178 23.12544 
1 1 1   11    3   25 o  1227.52   13.708 10232.32  227.845 10615.20  330.172  9884.21  314.818  1249.39   19.501  1205.65   19.269 43.73315 27.41503 
1 1 1   11    3   26 o  807.884   11.511  4523.33  120.754  4103.58  196.642  4777.43  152.999  776.847   18.679  838.921   13.458 -62.07440 23.02243 
1 1 1   11    3   27 o  599.246   8.9339  2471.47   69.079  2322.24  115.275  2555.08   86.290  584.766   14.547  613.725   10.375 -28.95941 17.86779 
1 1 1   11    3   28 o  638.644   7.6452  2763.70   66.123  2881.10   95.538  2655.76   91.609  651.645   10.819  625.644   10.805 26.00092 15.29050 
1 1 1   11    3   29 o  444.643   7.0376  1247.05   38.505  1131.87   44.877  1568.44   74.962  408.551   8.1058  480.734   11.507 -72.18246 14.07516 
1 1 1   11    3   30 o  345.283   9.9382  808.847   46.501   0.0000   0.0000  808.847   46.501  ?   ?   345.283   9.9382      ?      ? 
1 1 1   11    3   31 o  485.428   6.2022  1597.69   40.791  1642.48   58.307  1554.76   57.086  492.090   8.7437  478.766   8.7988 13.32440 12.40446 
1 1 1   11    3   32 o  652.061   7.7868  2877.45   68.697  2733.27   93.986  3042.84  100.661  634.583   10.929  669.539   11.094 -34.95587 15.57353 
1 1 1   11    3   33 o  728.014   8.5394  3598.60   84.235  3552.39  117.981  3646.64  120.306  723.254   12.038  732.775   12.115 -9.521301 17.07873 
1 1 1   11    3   34 o  361.620   7.3324  886.859   35.932   0.0000   0.0000  886.859   35.932  ?   ?   361.620   7.3324      ?      ? 
1 1 1   11    3   35 o  175.868   4.1126  209.649   9.7959  208.220   13.604  211.189   14.117  175.248   5.7283  176.489   5.9027 -1.241730 8.225296 
1 1 1   11    3   36 o  350.526   5.0774  833.431   24.117  838.201   33.983  828.591   34.230  351.539   7.1336  349.513   7.2271 2.025879 10.15477 
1 1 1   11    3   37 o  404.083   5.5179  1107.55   30.209  1139.02   43.086  1077.13   42.367  409.729   7.7599  398.436   7.8467 11.29376 11.03572 
1 1 1   11    3   38 o  215.430   5.2706  312.973   14.348  309.649   17.348  320.169   25.525  213.682   5.9911  217.177   8.6731 -3.495255 10.54119 
1 1 1   11    3   39 o  386.140   5.4001  1011.61   28.252  999.143   39.502  1024.66   40.423  383.708   7.5969  388.571   7.6768 -4.862885 10.80027 
1 1 1   11    3   40 o  487.487   8.8335  1613.87   58.355  1613.87   58.355   0.0000   0.0000  487.487   8.8335  ?   ?       ?      ? 
1 1 1   11    3   41 o  392.379   5.4656  1045.17   29.062  1043.13   41.022  1047.23   41.178  391.995   7.7225  392.764   7.7367 -0.7683411 10.93125 
1 1 1   11    3   42 o  343.035   6.2384  810.821   27.605  761.191   46.078  838.604   34.476  334.581   10.163  351.489   7.2381 -16.90802 12.47679 
1 1 1   11    3   43 o  168.339   4.2155  192.274   9.6150  193.116   13.501  191.408   13.696  168.714   5.9053  167.963   6.0173 0.7517700 8.430904 
1 1 1   11    3   44 o  219.457   5.3008  322.119   14.870  341.783   26.087  312.655   18.098  224.267   8.5836  214.646   6.2221 9.620987 10.60152 
1 1 1   11    3   45 o  218.696   4.3518  324.101   12.887  309.579   17.840  339.948   18.637  213.580   6.1640  223.812   6.1447 -10.23177 8.703579 
1 1 1   11    3   46 o  214.895   4.3448  313.516   12.646  325.973   17.913  301.138   17.855  219.159   6.0315  210.632   6.2555 8.527023 8.689635 
1 1 1   11    3   47 o   69.204   5.5060   32.512   5.1553   32.000   7.0690   33.093   7.5345   68.628   7.6011   69.780   7.9678 -1.152405 11.01195 
1 1 1   11    3   48 o  180.530   5.1307  213.329   11.787  199.270   14.180  244.754   21.201  171.330   6.1075  189.731   8.2458 -18.40108 10.26137 
1 1 1   11    3   49 o  386.726   6.7324  1034.87   33.447  1073.50   41.626  964.489   56.185  397.397   7.7297  376.055   11.025 21.34232 13.46486 
1 1 1   11    3   50 f  284.698   4.7403  550.565   18.287  547.445   25.705  553.763   26.023  283.884   6.6817  285.512   6.7259 -1.628571 9.480687 
1 1 1   11    3   51 o  228.421   4.4595  354.387   13.803  355.031   19.389  353.724   19.653  228.635   6.2579  228.206   6.3551 0.4296722 8.919026 
1 1 1   11    3   52 o  357.239   7.3997  867.727   35.823  867.727   35.823   0.0000   0.0000  357.239   7.3997  ?   ?       ?      ? 
1 1 1   11    3   53 o  233.096   4.5255  369.234   14.292  377.881   20.182  360.536   20.241  235.842   6.3148  230.349   6.4842 5.492996 9.051074 
1 1 1   11    3   54 o  219.498   4.5017  327.534   13.377  345.435   18.965  309.809   18.871  225.485   6.2065  213.511   6.5222 11.97395 9.003380 
1 1 1   11    3   55 o  100.372   6.1610   70.494   7.8033   74.123   9.5858   63.366   13.436  104.415   6.7746   96.329   10.292 8.086357 12.32194 
1 1 1   11    3   56 f  253.493   4.6417  436.283   15.933  414.669   22.117  459.604   22.974  246.968   6.6084  260.017   6.5201 -13.04872 9.283476 
1 1 1   11    3   57 o  237.625   6.5064  383.905   20.951  383.905   20.951   0.0000   0.0000  237.625   6.5064  ?   ?       ?      ? 
1 1 1   11    3   59 o  475.410   7.6672  1483.66   45.646  1714.67   84.730  1389.20   54.180  499.590   12.515  451.230   8.8605 48.36032 15.33430 
1 1 1   11    3   60 o  259.582   5.8695  461.505   19.448  453.534   33.573  465.531   23.859  257.602   9.6173  261.562   6.7313 -3.960541 11.73897 
1 1 1   11    3   61 o  141.772   4.6869  136.800   9.0035  138.004   12.680  135.576   12.786  142.406   6.5708  141.137   6.6853 1.269165 9.373779 
1 1 1   11    3   62 o  131.020   5.9735  117.417   9.9698  117.819   12.191  116.604   17.324  131.533   6.8394  130.507   9.7956 1.025925 11.94704 
1 1 1   11    3   63 o  161.772   5.6933  176.895   11.798  184.134   20.509  173.314   14.423  164.028   9.2268  159.515   6.6725 4.513290 11.38661 
1 1 1   11    3   64 o  172.690   5.6693  205.975   12.528  210.781   15.470  196.818   21.353  175.895   6.4903  169.485   9.2972 6.410324 11.33852 
1 1 1   11    3   65 o  187.377   5.7620  248.419   13.726  267.208   17.110  214.489   22.992  198.006   6.3764  176.749   9.5992 21.25650 11.52405 
1 1 1   11    3   66 o  141.283   4.7431  136.143   9.0618  124.362   12.634  148.625   13.005  134.962   6.9078  147.605   6.5016 -12.64302 9.486255 
1 1 1   11    3   67 o   70.468   6.5002   34.299   6.1470   28.627   8.6248   40.155   8.7631   64.440   9.8767   76.495   8.4536 -12.05537 13.00046 
1 1 1   11    3   68 o  197.054   4.6757  265.400   12.485  265.602   17.605  265.194   17.709  197.135   6.5901  196.972   6.6346 0.1630554 9.351307 
1 1 1   11    3   69 o   52.920   7.9788   20.316   5.8312   9.7542   8.1622   31.327   8.3336   38.468   13.089   67.372   9.1278 -28.90428 15.95756 
1 1 1   11    3   70 o   96.863   6.6578   63.344   8.2502   60.212   10.016   69.953   14.551   93.543   7.9011  100.183   10.718 -6.639671 13.31555 
1 1 1   11    3   71 o   95.371   5.4460   62.677   7.0347   64.725   9.9224   60.606   9.9750   96.969   7.5510   93.773   7.8497 3.195717 10.89194 
1 1 1   11    3   72 o  128.096   4.9344  112.982   8.5533  119.597   12.081  106.333   12.112  131.919   6.7577  124.273   7.1920 7.645889 9.868719 
1 1 1   11    3   73 o   76.316   6.2230   40.512   6.4039   45.986   9.2167   35.402   8.9043   81.398   8.3557   71.234   9.2243 10.16442 12.44607 
1 1 1   11    3   74 o  125.832   5.9851  106.668   9.6209  121.156   17.108   99.966   11.635  131.384   9.6090  120.280   7.1382 11.10395 11.97026 
1 1 1   11    3   75 o  108.454   6.6802   87.840   8.9659   68.166   15.144   98.457   11.125   97.577   11.453  119.331   6.8796 -21.75495 13.36047 
1 1 1   11    3   76 o   67.117   6.6614   31.954   6.0186   35.828   8.4817   28.025   8.5420   71.416   8.7640   62.817   10.034 8.598557 13.32286 
1 1 1   11    3   77 o   73.013   6.3528   37.711   6.2761   36.228   8.9946   39.117   8.7615   71.513   9.2814   74.514   8.6768 -3.001152 12.70560 
1 1 1   11    3   78 o   91.628   5.7406   59.164   7.1102   63.223   9.9942   55.004   10.118   94.959   7.7666   88.296   8.4557 6.662285 11.48122 
1 1 1   11    3   79 o   66.009   8.3420   28.775   6.9368   20.664   8.3415   46.962   12.490   52.006   12.069   80.013   11.519 -28.00786 16.68397 
1 1 1   11    3   80 o   61.534   7.6251   28.489   6.0889   34.490   8.4818   22.107   8.7463   69.496   9.0063   53.572   12.307 15.92400 15.25013 
1 1 1   11    3   81 o   99.838   5.6457   70.570   7.6357   68.124   10.739   73.071   10.859   98.035   8.0834  101.642   7.8840 -3.606453 11.29149 
1 1 1   11    3   82 o   73.296   8.4048   39.666   7.7240   43.832   13.367   37.578   9.4638   74.605   13.728   71.987   9.7012 2.617828 16.80957 
1 1 1   11    3   83 o   90.861   7.8052   63.877   8.8350   69.807   10.965   52.903   14.917   98.932   8.1788   82.791   13.296 16.14052 15.61037 
1 1 1   11    3   84 o   47.076   10.129   18.685   7.0720   20.951   8.5769   13.873   12.499   51.484   12.434   42.668   15.994 8.816921 20.25851 
1 1 1   11    3   85 o  130.989   5.3561  122.198   9.5057  119.692   13.292  124.822   13.599  129.621   7.5671  132.357   7.5821 -2.735641 10.71213 
1 1 1   11    3   86 o   86.693   8.4501   60.424   8.9807   49.742   14.629   66.886   11.377   77.542   14.453   95.844   8.7594 -18.30204 16.90022 
1 1 1   11    3   87 o   45.905   7.7915   15.463   7.3933 -14.7081   11.879   34.538   9.4456   24.122   11.696   67.688   10.298 -43.56539 15.58291 
1 1 1   11    3   88 o   32.979   13.094   7.0503   8.7359   0.0000   0.0000   7.0503   8.7359  ?   ?    32.979   13.094      ?      ? 
1 1 1   11    3   89 o   45.372   10.607   19.107   7.6794   15.206   13.216   21.096   9.4360   41.558   16.226   49.186   13.666 -7.628448 21.21449 
1 1 1   11    3   90 o   34.361   10.020   7.5724   7.1296   11.609   12.561   5.6538   8.6597   37.836   15.459   30.886   12.752 6.950041 20.03969 
1 1 1   11    3   91 o   43.465   11.088   17.763   9.0065   8.2049   12.457   28.233   13.037   34.628   14.844   52.302   16.476 -17.67376 22.17677 
1 1 1   11    4    0 o  218.051   4.0739  322.183   12.034  310.246   16.845  334.626   17.197  213.927   5.8105  222.175   5.7119 -8.248306 8.147867 
1 1 1   11    4    1 o  191.676   5.1484  259.339   12.300  221.952   21.364  277.876   15.043  180.886   8.7156  202.465   5.4828 -21.57919 10.29671 
1 1 1   11    4    2 o  379.971   6.4714  970.422   31.095  1004.52   55.400  954.741   37.571  384.717   10.626  375.225   7.3890 9.491730 12.94278 
1 1 1   11    4    3 o  434.869   8.2009  1283.62   48.323  1308.27   68.807  1259.62   67.881  438.991   11.566  430.747   11.629 8.244598 16.40172 
1 1 1   11    4    4 o  412.926   7.9317  1157.30   44.383  1169.27   62.919  1145.44   62.615  415.054   11.186  410.798   11.248 4.255951 15.86349 
1 1 1   11    4    5 o  675.230   11.382  3099.20  104.136  3053.81  145.734  3146.55  148.856  670.187   16.047  680.272   16.147 -10.08551 22.76462 
1 1 1   11    4    6 o  340.632   7.1206  787.190   32.867  785.284   46.214  789.140   46.753  340.216   10.024  341.046   10.116 -0.8299866 14.24126 
1 1 1   11    4    7 o  614.013   10.526  2560.48   87.570  2621.72  125.276  2501.96  122.457  621.191   14.882  606.835   14.891 14.35565 21.05279 
1 1 1   11    4    8 o  993.601   15.969  6723.10  214.912  6936.33  309.887  6525.50  298.306  1008.74   22.669  978.459   22.498 30.28412 31.93818 
1 1 1   11    4    9 o  882.682   14.328  5300.96  171.342  5202.30  239.140  5405.03  245.619  874.262   20.185  891.103   20.340 -16.84076 28.65568 
1 1 1   11    4   10 o  896.506   14.528  5468.05  176.466  5573.00  252.367  5367.65  246.845  904.914   20.580  888.098   20.511 16.81537 29.05549 
1 1 1   11    4   11 o  728.865   10.514  3651.64   98.893  3459.08  165.363  3758.85  123.390  713.464   17.103  744.265   12.234 -30.80109 21.02855 
1 1 1   11    4   12 f  274.347   5.5101  511.634   19.177  506.382   33.592  514.173   23.357  273.272   9.0710  275.422   6.2580 -2.150116 11.02024 
1 1 1   11    4   13 o  415.586   5.5395  1170.13   31.186  1209.81   44.733  1132.61   43.501  422.437   7.8141  408.736   7.8538 13.70111 11.07891 
1 1 1   11    4   14 o  746.446   10.655  3836.89  102.946  3594.11  170.480  3976.22  129.152  727.360   17.296  765.531   12.450 -38.17157 21.31051 
1 1 1   11    4   15 o  618.755   9.0114  2480.82   69.334  2891.33  130.673  2319.97   81.797  652.629   14.775  584.880   10.320 67.74933 18.02270 
1 1 1   11    4   16 o  346.292   6.0935  833.106   27.400  737.084   44.276  892.700   34.881  329.687   9.9103  362.897   7.0929 -33.21048 12.18700 
1 1 1   11    4   17 o  564.253   6.8947  2158.44   52.712  2128.40   73.769  2189.76   75.347  560.246   9.7165  568.261   9.7845 -8.015381 13.78936 
1 1 1   11    4   18 o  438.271   5.7407  1301.76   34.088  1339.07   48.673  1265.84   47.754  444.434   8.0817  432.108   8.1552 12.32553 11.48133 
1 1 1   11    4   19 o  487.573   8.7939  1611.81   58.104   0.0000   0.0000  1611.81   58.104  ?   ?   487.573   8.7939      ?      ? 
1 1 1   11    4   20 o  280.038   4.5280  526.101   17.091  463.194   22.939  604.593   25.623  261.413   6.4754  298.663   6.3310 -37.24966 9.056027 
1 1 1   11    4   21 o  491.948   7.5886  1633.33   47.834  1666.33   82.768  1616.78   58.615  495.581   12.324  488.314   8.8578 7.266632 15.17724 
1 1 1   11    4   22 o  613.325   10.427  2551.30   86.660  2551.30   86.660   0.0000   0.0000  613.325   10.427  ?   ?       ?      ? 
1 1 1   11    4   23 o  1148.81   15.834  9091.04  234.418  9344.33  291.963  8631.55  393.246  1172.48   18.376  1125.14   25.791 47.34155 31.66798 
1 1 1   11    4   24 o  611.730   8.9648  2493.61   69.296  2416.30   83.394  2666.07  124.556  596.855   10.311  626.605   14.669 -29.75012 17.92969 
1 1 1   11    4   25 o  540.254   8.1703  1976.64   56.427  1969.06   69.088  1991.84   97.795  538.826   9.4617  541.682   13.323 -2.856384 16.34068 
1 1 1   11    4   26 o  1218.76   16.731 10266.21  263.634 10618.54  330.207  9646.80  437.827  1249.21   19.506  1188.31   27.189 60.90063 33.46220 
1 1 1   11    4   27 o  424.196   8.0260  1220.16   46.137   0.0000   0.0000  1220.16   46.137  ?   ?   424.196   8.0260      ?      ? 
1 1 1   11    4   28 o  703.380   10.167  3365.57   91.487  3347.10  157.769  3374.93  112.294  701.620   16.593  705.141   11.752 -3.521606 20.33332 
1 1 1   11    4   29 o  406.730   6.7910  1131.85   35.487  1091.81   60.197  1153.17   43.933  401.087   11.075  412.373   7.8617 -11.28586 13.58193 
1 1 1   11    4   30 o  362.181   5.1542  889.523   25.295  895.348   35.613  883.593   35.933  363.379   7.2321  360.982   7.3456 2.397552 10.30835 
1 1 1   11    4   31 o  257.585   4.4309  449.728   15.462  445.997   21.564  453.676   22.182  256.487   6.2041  258.682   6.3279 -2.195526 8.861890 
1 1 1   11    4   32 o  227.104   4.2821  349.871   13.166  367.415   18.629  332.362   18.611  232.798   5.9052  221.409   6.2028 11.38979 8.564223 
1 1 1   11    4   33 o  334.074   4.9671  754.419   22.441  825.504   32.706  691.183   30.847  348.901   6.9173  319.247   7.1303 29.65326 9.934288 
1 1 1   11    4   34 o  508.416   6.4321  1752.19   44.290  1827.21   63.855  1682.64   61.484  518.892   9.0810  497.939   9.1117 20.95279 12.86426 
1 1 1   11    4   35 o  384.699   5.3594  1002.75   27.922  968.897   38.667  1039.64   40.363  377.924   7.5501  391.474   7.6085 -13.54974 10.71882 
1 1 1   11    4   36 o  216.824   4.2590  317.928   12.497  300.182   17.155  337.991   18.241  210.396   6.0170  223.253   6.0293 -12.85692 8.518021 
1 1 1   11    4   37 o  527.945   9.3530  1892.67   66.915  1892.67   66.915   0.0000   0.0000  527.945   9.3530  ?   ?       ?      ? 
1 1 1   11    4   38 o  349.463   10.068  829.757   47.681  829.757   47.681   0.0000   0.0000  349.463   10.068  ?   ?       ?      ? 
1 1 1   11    4   39 o  161.958   5.9403  176.310   12.968  160.577   17.292  196.532   19.604  153.788   8.2971  170.128   8.5032 -16.34007 11.88054 
1 1 1   11    4   40 o  253.505   5.6157  441.094   17.952  449.712   21.835  423.114   31.538  257.465   6.2583  249.544   9.3262 7.920609 11.23142 
1 1 1   11    4   41 o  629.682   10.737  2697.25   91.616  2697.25   91.616   0.0000   0.0000  629.682   10.737  ?   ?       ?      ? 
1 1 1   11    4   42 o  526.883   9.4475  1887.21   67.455   0.0000   0.0000  1887.21   67.455  ?   ?   526.883   9.4475      ?      ? 
1 1 1   11    4   43 o  207.337   4.3207  291.820   12.135  300.398   17.115  283.151   17.207  210.408   6.0026  204.268   6.2163 6.140060 8.641379 
1 1 1   11    4   44 o  312.260   4.8892  661.716   20.678  692.365   29.557  632.335   28.939  319.347   6.8299  305.174   6.9977 14.17291 9.778337 
1 1 1   11    4   45 o  222.374   6.2219  334.016   18.672  379.464   27.588  295.599   25.364  236.257   8.6170  208.492   8.9775 27.76501 12.44377 
1 1 1   11    4   46 f  194.297   6.0414  256.461   15.898  268.927   22.830  244.726   22.151  198.882   8.4709  189.711   8.6161 9.170731 12.08281 
1 1 1   11    4   47 o   71.059   5.4624   34.186   5.2312   29.465   7.1769   39.537   7.6411   65.836   8.0444   76.283   7.3918 -10.44695 10.92474 
1 1 1   11    4   48 o  306.720   6.8390  639.042   28.426  639.042   28.426   0.0000   0.0000  306.720   6.8390  ?   ?       ?      ? 
1 1 1   11    4   49 o  144.724   4.3824  142.388   8.5709  155.695   12.187  129.366   12.056  151.435   5.9388  138.013   6.4461 13.42146 8.764811 
1 1 1   11    4   50 o  386.642   5.4894  1016.03   28.754  992.292   40.102  1041.16   41.252  381.998   7.7467  391.285   7.7798 -9.286713 10.97890 
1 1 1   11    4   51 o  315.293   4.9693  675.658   21.229  690.110   30.121  661.393   29.926  318.650   6.9754  311.936   7.0794 6.714722 9.938544 
1 1 1   11    4   52 o  383.648   5.4844  1001.33   28.512  1006.70   40.192  995.886   40.453  384.693   7.7099  382.603   7.8022 2.089386 10.96888 
1 1 1   11    4   53 o  373.334   7.6223  948.225   38.563  948.225   38.563   0.0000   0.0000  373.334   7.6223  ?   ?       ?      ? 
1 1 1   11    4   54 o  170.019   4.4336  196.424   10.215  196.032   14.386  196.824   14.506  169.850   6.2501  170.189   6.2900 -0.3396912 8.867185 
1 1 1   11    4   55 o  146.129   6.3918  145.140   12.657  145.140   12.657   0.0000   0.0000  146.129   6.3918  ?   ?       ?      ? 
1 1 1   11    4   56 o  178.295   6.3742  216.761   15.395  215.481   21.437  218.123   22.122  177.767   8.8986  178.824   9.1290 -1.056808 12.74846 
1 1 1   11    4   57 o  385.187   6.8299  1024.84   33.887  974.508   56.908  1052.49   42.180  377.284   11.131  393.091   7.9183 -15.80637 13.65984 
1 1 1   11    4   58 o   57.255   9.1418   24.247   6.7536   27.061   8.2662   18.597   11.712   62.938   9.6919   51.571   15.503 11.36685 18.28361 
1 1 1   11    4   59 o  159.030   5.6361  170.788   11.447  177.093   20.005  167.719   13.959  161.042   9.1666  157.018   6.5601 4.023651 11.27215 
1 1 1   11    4   60 o   52.303   7.7744   19.716   5.7681   6.4322   8.1075   33.330   8.2081   34.729   12.908   69.877   8.6681 -35.14820 15.54872 
1 1 1   11    4   61 o  335.824   6.3977  761.824   27.354  797.011   48.186  745.093   33.227  341.003   10.428  330.645   7.4156 10.35794 12.79547 
1 1 1   11    4   62 o  160.540   5.6802  175.983   11.779  176.104   14.604  175.758   19.923  160.800   6.7021  160.281   9.1728 0.5190125 11.36034 
1 1 1   11    4   63 o   87.271   5.7100   52.023   6.7523   51.448   9.4707   52.617   9.6296   86.782   8.0532   87.759   8.0972 -0.9770966 11.42006 
1 1 1   11    4   64 o  154.724   4.6618  163.202   9.7483  179.383   13.951  147.766   13.627  162.253   6.3452  147.196   6.8314 15.05714 9.323609 
1 1 1   11    4   65 o  140.752   4.7245  135.128   9.0072  129.406   12.630  141.051   12.849  137.707   6.7681  143.796   6.5937 -6.088837 9.449088 
1 1 1   11    4   66 o   95.603   5.3357   62.545   6.9119   62.982   9.7276   62.099   9.8229   95.948   7.4815   95.257   7.6096 0.6911316 10.67136 
1 1 1   11    4   67 o  159.833   4.6588  174.536   10.090  173.348   14.203  175.746   14.338  159.285   6.5801  160.380   6.5970 -1.094559 9.317597 
1 1 1   11    4   68 o  117.736   5.0196   94.933   8.0043   90.772   11.246   99.204   11.395  115.102   7.2101  120.369   6.9857 -5.267876 10.03919 
1 1 1   11    4   69 o  135.777   4.7718  126.286   8.7790  126.725   12.342  125.837   12.490  136.027   6.6953  135.526   6.8008 0.5006409 9.543509 
1 1 1   11    4   70 o   62.961   7.3171   28.370   5.9392   20.538   8.2822   36.660   8.5213   53.092   11.816   72.830   8.6341 -19.73767 14.63423 
1 1 1   11    4   71 o   94.946   6.9236   64.071   8.3526   66.699   10.310   59.052   14.249   98.335   7.7366   91.557   11.484 6.777863 13.84728 
1 1 1   11    4   72 o  116.585   7.2977   95.352   11.473  108.042   16.505   83.485   15.960  124.288   9.7994  108.883   10.817 15.40477 14.59542 
1 1 1   11    4   73 o  152.668   6.8060  160.659   14.081  160.659   14.081   0.0000   0.0000  152.668   6.8060  ?   ?       ?      ? 
1 1 1   11    4   74 o   64.604   6.7760   29.328   5.9198   31.989   8.5112   26.835   8.2390   67.507   9.3038   61.700   9.8539 5.807255 13.55209 
1 1 1   11    4   75 o  101.819   5.4467   72.199   7.4881   64.572   10.478   80.160   10.705   96.200   8.0375  107.438   7.3527 -11.23816 10.89334 
1 1 1   11    4   76 o   65.067   8.8989   31.868   7.2872   30.158   12.349   32.781   9.0265   62.221   14.851   67.912   9.8081 -5.691498 17.79782 
1 1 1   11    4   77 o   87.928   6.8050   52.684   7.8177   46.590   9.6407   64.385   13.359   81.201   8.7612   94.656   10.415 -13.45515 13.60996 
1 1 1   11    4   78 f  101.387   5.4541   72.186   7.4802   77.542   10.639   66.951   10.519  105.221   7.4615   97.553   7.9570 7.667305 10.90815 
1 1 1   11    4   79 o   60.208   7.8173   27.546   6.0874   38.163   8.6814   17.277   8.5383   73.256   8.7451   47.160   12.960 26.09560 15.63457 
1 1 1   11    4   80 o   81.950   6.2573   48.299   6.7922   36.590   9.4721   60.692   9.7450   71.158   9.8229   92.741   7.7540 -21.58302 12.51453 
1 1 1   11    4   81 o   81.757   6.4002   48.082   6.9215   61.787   10.066   35.791   9.5325   93.362   7.9564   70.153   10.027 23.20955 12.80040 
1 1 1   11    4   82 o   79.495   6.4831   45.610   6.9757   48.099   9.8769   43.132   9.8534   81.795   8.9107   77.196   9.4191 4.599098 12.96612 
1 1 1   11    4   83 o  102.645   5.7852   75.228   8.0064   65.838   11.134   85.284   11.522   95.749   8.5809  109.541   7.7616 -13.79135 11.57041 
1 1 1   11    4   84 o   74.772   9.2840   46.498   8.4363   35.728   14.108   52.493   10.526   64.555   16.163   84.989   9.1391 -20.43367 18.56792 
1 1 1   11    4   85 o   73.250   10.621   45.908   10.300   56.526   14.054   33.586   15.140   85.639   12.110   60.862   17.452 24.77770 21.24246 
1 1 1   11    4   86 o   42.883   11.187   15.187   8.6285   17.186   12.058   13.089   12.352   44.811   15.871   40.955   15.771 3.856113 22.37431 
1 1 1   11    4   87 o   50.166   9.6889   23.669   7.9901   6.1283   13.473   33.185   9.9235   35.771   15.389   64.560   11.777 -28.78861 19.37787 
1 1 1   11    4   88 o   71.377   9.7812   43.938   8.6681   39.650   14.819   46.169   10.687   64.977   16.729   77.778   10.140 -12.80099 19.56236 
1 1 1   11    4   89 o   46.046   16.412   20.579   12.914   0.0000   0.0000   20.579   12.914  ?   ?    46.046   16.412      ?      ? 
1 1 1   11    4   90 o   25.584   8.5535  -8.2322   8.0964 -17.2484   11.796  -0.2000   11.133   22.460   11.050   28.708   13.060 -6.247599 17.10691 
1 1 1   11    4   91 o   28.687   9.3454  -0.7765   8.4144   1.1405   12.076  -2.5855   11.731   29.781   13.568   27.593   12.855 2.187555 18.69090 
1 1 1   11    5    0 o  561.556   6.8932  2133.53   52.385  2026.18   71.870  2255.21   76.515  546.528   9.7040  576.584   9.7926 -30.05518 13.78633 
1 1 1   11    5    1 o  636.292   7.6133  2744.69   65.618  2834.80   94.481  2660.72   91.200  646.370   10.786  626.213   10.747 20.15784 15.22659 
1 1 1   11    5    2 f  904.303   12.673  5558.33  146.178  5571.36  254.064  5551.88  178.723  904.526   20.727  904.079   14.588 0.4473877 25.34598 
1 1 1   11    5    3 o  727.768   10.479  3598.69   97.304  3594.20  168.880  3600.91  119.051  727.126   17.139  728.409   12.061 -1.282959 20.95727 
1 1 1   11    5    4 o  770.144   12.753  4031.38  133.070  4115.31  190.600  3951.56  185.867  777.955   18.079  762.334   17.992 15.62079 25.50631 
1 1 1   11    5    5 o  707.925   16.800  3405.71  161.166   0.0000   0.0000  3405.71  161.166  ?   ?   707.925   16.800      ?      ? 
1 1 1   11    5    6 o  385.594   10.908  1008.64   56.997   0.0000   0.0000  1008.64   56.997  ?   ?   385.594   10.908      ?      ? 
1 1 1   11    5    7 o  502.886   12.881  1716.28   87.780   0.0000   0.0000  1716.28   87.780  ?   ?   502.886   12.881      ?      ? 
1 1 1   11    5    8 o  484.342   12.551  1591.82   82.380   0.0000   0.0000  1591.82   82.380  ?   ?   484.342   12.551      ?      ? 
1 1 1   11    5    9 o  446.788   11.896  1354.29   72.025   0.0000   0.0000  1354.29   72.025  ?   ?   446.788   11.896      ?      ? 
1 1 1   11    5   10 o  1051.32   16.820  7523.14  239.576  7686.96  343.379  7367.75  334.421  1062.45   23.850  1040.19   23.725 22.26636 33.64020 
1 1 1   11    5   11 o  887.693   14.416  5353.53  173.331  5204.99  240.447  5514.21  250.090  874.904   20.280  900.483   20.494 -25.57935 28.83261 
1 1 1   11    5   12 o  434.273   8.2237  1279.24   48.393  1273.36   67.967  1285.29   68.918  433.262   11.576  435.283   11.684 -2.020447 16.44735 
1 1 1   11    5   13 o  442.751   7.1402  1320.40   40.119  1354.86   70.850  1304.13   48.675  446.910   11.699  438.592   8.1895 8.317108 14.28034 
1 1 1   11    5   14 o  865.371   9.9219  5080.40  116.329  5187.45  166.598  4978.54  162.506  874.260   14.062  856.482   14.001 17.77850 19.84379 
1 1 1   11    5   15 o  844.682   9.6986  4839.20  110.983  4961.56  159.327  4723.87  154.682  855.045   13.750  834.320   13.681 20.72540 19.39724 
1 1 1   11    5   16 o  694.501   8.1790  3271.63   76.973  3252.17  108.287  3291.50  109.436  692.416   11.541  696.586   11.593 -4.170593 16.35806 
1 1 1   11    5   17 o  651.388   7.7723  2876.96   68.596  2940.09   98.042  2816.42   96.010  658.386   10.989  644.390   10.995 13.99677 15.54468 
1 1 1   11    5   18 f  413.992   5.5501  1161.21   31.126  1136.56   43.320  1187.53   44.753  409.453   7.8073  418.531   7.8906 -9.077759 11.10025 
1 1 1   11    5   19 o  928.019   13.005  5981.03  157.136  6374.03  200.395  5353.62  253.201  968.903   15.262  887.135   21.062 81.76746 26.01031 
1 1 1   11    5   20 o  996.318   13.789  6482.95  170.330  6121.04  200.861  7409.44  321.379  949.398   15.612  1043.24   22.733 -93.83984 27.57747 
1 1 1   11    5   21 o  220.445   4.9693  325.335   14.063  317.014   17.206  342.085   24.410  216.267   5.8708  224.624   8.0193 -8.356812 9.938558 
1 1 1   11    5   22 o  299.262   4.6780  606.718   18.950  647.574   27.149  567.896   26.464  309.083   6.4817  289.440   6.7471 19.64398 9.356078 
1 1 1   11    5   23 o  556.724   8.4350  2082.27   59.315  2046.38   71.578  2160.93  105.968  549.291   9.6161  564.156   13.861 -14.86505 16.86995 
1 1 1   11    5   24 o  342.351   6.2213  797.717   26.931  802.923   32.717  786.777   47.425  344.144   7.0154  340.558   10.276 3.586060 12.44261 
1 1 1   11    5   25 o  798.670   11.290  4257.61  113.939  4548.64  204.737  4127.03  137.137  817.677   18.477  779.662   12.980 38.01410 22.58037 
1 1 1   11    5   26 f  768.999   12.625  4017.91  131.472  3884.04  181.842  4164.53  190.307  755.612   17.759  782.386   17.949 -26.77478 25.24986 
1 1 1   11    5   27 o  250.057   5.3190  424.865   17.054  426.702   20.987  421.293   29.261  250.885   6.1730  249.228   8.6637 1.657242 10.63795 
1 1 1   11    5   28 o  464.166   6.0415  1458.02   37.956  1392.65   52.153  1531.62   55.344  453.133   8.4933  475.199   8.5944 -22.06540 12.08300 
1 1 1   11    5   29 o  380.704   6.6153  1002.85   32.456  917.347   53.888  1051.52   40.656  367.634   10.817  393.773   7.6190 -26.13913 13.23065 
1 1 1   11    5   30 o  582.896   8.7900  2335.76   66.027  2215.19  110.764  2402.22   82.235  570.853   14.318  594.938   10.200 -24.08533 17.57991 
1 1 1   11    5   31 o  601.783   7.3117  2457.49   59.615  2420.16   83.325  2496.64   85.328  597.107   10.298  606.459   10.383 -9.351501 14.62332 
1 1 1   11    5   32 f  208.280   4.2495  294.362   11.985  304.358   16.828  284.074   17.072  211.874   5.8611  204.685   6.1548 7.188721 8.499030 
1 1 1   11    5   33 o  398.733   5.4820  1075.83   29.583  1023.37   40.604  1135.19   43.188  388.401   7.7144  409.065   7.7910 -20.66415 10.96409 
1 1 1   11    5   34 o  495.147   6.3294  1659.27   42.404  1575.72   58.036  1754.95   62.107  481.821   8.8885  508.474   9.0134 -26.65228 12.65886 
1 1 1   11    5   35 o  431.124   7.0248  1262.06   38.896  1263.29   66.660  1261.42   47.895  431.121   11.410  431.126   8.1978 -0.5828857E-02 14.04960 
1 1 1   11    5   36 o  254.308   8.7394  439.076   30.118  439.076   30.118   0.0000   0.0000  254.308   8.7394  ?   ?       ?      ? 
1 1 1   11    5   37 o  338.819   5.0457  777.572   23.135  837.604   33.437  722.437   32.044  351.349   7.0227  326.287   7.2470 25.06210 10.09145 
1 1 1   11    5   38 o  271.244   4.5846  498.504   16.839  482.813   23.265  515.766   24.403  266.770   6.4357  275.718   6.5311 -8.948303 9.169148 
1 1 1   11    5   39 o   93.887   4.6608   60.435   5.8632   69.028   8.1581   51.254   8.4324  100.874   5.9679   86.899   7.1606 13.97472 9.321520 
1 1 1   11    5   40 o  306.218   4.8415  636.432   20.079  666.188   28.552  607.321   28.241  313.309   6.7248  299.128   6.9669 14.18030 9.683055 
1 1 1   11    5   41 o  527.961   8.2223  1900.16   55.195  1903.49   67.332  1893.32   96.372  529.139   9.3900  526.783   13.500 2.356506 16.44464 
1 1 1   11    5   42 o  404.962   6.7841  1085.86   34.632  1038.31   41.483  1195.20   62.912  390.974   7.8296  418.951   11.081 -27.97675 13.56826 
1 1 1   11    5   43 o  284.204   5.8572  566.177   21.319  608.719   26.751  492.124   35.294  299.450   6.5922  268.957   9.6836 30.49307 11.71443 
1 1 1   11    5   44 o  233.568   4.4359  370.372   14.038  374.603   19.731  366.037   19.976  234.924   6.1978  232.212   6.3480 2.711609 8.871838 
1 1 1   11    5   45 o  182.337   6.1486  225.683   15.193   0.0000   0.0000  225.683   15.193  ?   ?   182.337   6.1486      ?      ? 
1 1 1   11    5   46 o  411.600   6.9354  1138.16   36.315  1198.20   64.187  1109.90   44.041  419.144   11.301  404.057   8.0433 15.08679 13.87079 
1 1 1   11    5   47 o  297.445   5.9445  606.511   22.698  586.767   38.588  616.956   28.068  293.525   9.7013  301.365   6.8728 -7.839630 11.88907 
1 1 1   11    5   48 o  295.506   6.7596  593.233   27.069  593.233   27.069   0.0000   0.0000  295.506   6.7596  ?   ?       ?      ? 
1 1 1   11    5   49 o  245.852   4.5469  410.595   15.148  413.627   21.359  407.528   21.486  246.769   6.3871  244.935   6.4731 1.834473 9.093785 
1 1 1   11    5   50 o  180.654   6.2307  221.679   15.253   0.0000   0.0000  221.679   15.253  ?   ?   180.654   6.2307      ?      ? 
1 1 1   11    5   51 o  172.933   4.3717  203.208   10.236  214.058   14.534  192.529   14.419  177.524   6.0414  168.341   6.3205 9.183319 8.743368 
1 1 1   11    5   52 o  172.329   4.4311  201.491   10.337  188.873   14.349  215.105   14.904  166.722   6.3510  177.936   6.1811 -11.21449 8.862296 
1 1 1   11    5   53 o  284.135   4.8430  548.732   18.642  530.798   26.128  567.332   26.608  279.400   6.9007  288.870   6.7970 -9.470398 9.686004 
1 1 1   11    5   54 o  172.063   6.3935  201.646   14.899  194.986   20.660  208.863   21.507  169.109   9.0152  175.017   9.0682 -5.907654 12.78698 
1 1 1   11    5   55 o  346.026   7.4965  818.597   35.151  813.961   49.490  823.318   49.936  345.042   10.584  347.010   10.619 -1.967407 14.99304 
1 1 1   11    5   56 o  234.870   4.6668  374.595   14.837  400.441   21.399  350.670   20.589  242.672   6.5073  227.068   6.6912 15.60423 9.333655 
1 1 1   11    5   57 o  267.530   6.0029  499.895   20.421  525.179   25.257  452.153   34.706  277.855   6.7077  257.205   9.9572 20.65073 12.00580 
1 1 1   11    5   58 o  185.647   5.8287  241.276   13.602  253.064   16.641  217.550   23.609  192.896   6.3661  178.397   9.7656 14.49867 11.65738 
1 1 1   11    5   59 o  174.275   5.6803  215.296   12.626  235.659   15.881  180.325   20.813  186.130   6.2964  162.420   9.4561 23.70976 11.36056 
1 1 1   11    5   60 f  167.454   5.6715  195.783   12.169  206.361   15.180  176.766   20.355  174.134   6.4328  160.775   9.3425 13.35947 11.34297 
1 1 1   11    5   61 o  265.172   6.8603  479.024   24.652   0.0000   0.0000  479.024   24.652  ?   ?   265.172   6.8603      ?      ? 
1 1 1   11    5   62 o  181.867   5.6200  217.566   13.015  250.133   23.380  202.942   15.667  191.157   9.0255  172.578   6.6991 18.57956 11.24001 
1 1 1   11    5   63 o  136.596   5.9795  129.188   10.334  123.380   18.001  132.043   12.620  134.027   9.9113  139.165   6.6920 -5.137772 11.95900 
1 1 1   11    5   64 o  245.601   4.7478  411.547   15.801  413.725   22.409  409.394   22.284  246.247   6.7155  244.955   6.7132 1.291626 9.495549 
1 1 1   11    5   65 o  117.418   5.0293   93.898   7.9725  106.050   11.622   83.098   10.957  124.600   6.8830  110.235   7.3348 14.36516 10.05856 
1 1 1   11    5   66 o   35.069   8.8054   7.2659   5.3130   9.8108   7.7236   4.9799   7.3201   38.320   12.731   31.818   12.168 6.502104 17.61083 
1 1 1   11    5   67 o  158.520   4.7360  171.849   10.158  159.431   14.214  184.811   14.523  152.629   6.8724  164.411   6.5182 -11.78232 9.471913 
1 1 1   11    5   68 o   73.644   6.2839   37.425   6.2696   38.611   8.9442   36.280   8.7909   74.800   8.8238   72.488   8.9492 2.312126 12.56778 
1 1 1   11    5   69 o  159.632   5.7941  173.720   11.814  181.804   20.662  169.793   14.400  161.912   9.4169  157.352   6.7532 4.559235 11.58812 
1 1 1   11    5   70 o  150.467   5.9556  156.721   11.381  156.325   19.884  156.913   13.879  149.779   9.7965  151.155   6.7755 -1.375214 11.91127 
1 1 1   11    5   71 o   98.775   5.3823   67.353   7.2022   69.723   10.271   65.060   10.102  100.501   7.5417   97.049   7.6811 3.452057 10.76463 
1 1 1   11    5   72 o   98.880   7.0514   72.922   8.5747   81.127   10.559   57.036   14.693  108.398   7.1885   89.362   12.133 19.03564 14.10277 
1 1 1   11    5   73 o  145.924   6.0616  146.155   11.145  142.036   13.406  155.372   20.055  143.399   6.8986  148.449   9.9691 -5.049942 12.12328 
1 1 1   11    5   74 o  159.564   5.7745  174.168   11.824  166.981   14.429  188.861   20.631  155.343   6.8541  163.784   9.2952 -8.441101 11.54903 
1 1 1   11    5   75 o   79.442   7.4565   45.149   7.5541   45.195   9.2660   45.058   13.044   80.228   8.5229   78.657   12.238 1.570824 14.91306 
1 1 1   11    5   76 o   22.025   6.9729  -7.2587   4.8672 -17.2264   6.8478   2.9183   6.9193   15.828   7.8948   28.223   11.496 -12.39548 13.94572 
1 1 1   11    5   77 o   81.389   8.2216   51.822   8.0529   39.728   13.337   58.762   10.102   71.445   14.274   91.333   8.1624 -19.88791 16.44327 
1 1 1   11    5   78 o   36.859   8.8782   9.0618   5.5456   4.5649   7.5875   14.219   8.1256   30.666   12.195   43.052   12.907 -12.38601 17.75644 
1 1 1   11    5   79 o   54.863   8.3111   23.015   6.0053   19.426   8.4137   26.741   8.5740   50.056   12.454   59.671   11.009 -9.614292 16.62228 
1 1 1   11    5   80 o   65.070   7.4092   31.428   6.3276   27.186   8.9633   35.642   8.9339   59.802   11.478   70.339   9.3727 -10.53633 14.81842 
1 1 1   11    5   81 o   51.941   8.5876   21.046   6.0099   16.010   8.4104   26.301   8.5911   45.054   13.034   58.827   11.185 -13.77368 17.17519 
1 1 1   11    5   82 o   69.647   8.6786   35.976   7.6312   41.621   13.175   33.126   9.3615   72.160   13.978   67.133   10.290 5.026802 17.35722 
1 1 1   11    5   83 o   74.137   9.2101   46.992   8.1763   31.197   13.635   55.861   10.217   60.185   16.311   88.089   8.5591 -27.90389 18.42016 
1 1 1   11    5   84 o   41.461   10.054   13.808   6.7797   11.910   11.170   14.916   8.5309   39.937   15.088   42.985   13.293 -3.048031 20.10893 
1 1 1   11    5   85 o   47.563   9.9087   19.753   7.4825   9.5594   11.804   26.601   9.6747   37.785   15.148   57.342   12.777 -19.55690 19.81740 
1 1 1   11    5   86 o   69.946   11.141   42.413   10.340   33.762   13.861   53.271   15.528   60.992   16.410   78.901   15.073 -17.90857 22.28162 
1 1 1   11    5   87 o   31.654   9.6636  -0.6688   8.3164 -12.5624   11.583   11.987   11.948   24.271   11.714   39.037   15.373 -14.76565 19.32718 
1 1 1   11    5   88 o   41.625   10.768   13.392   8.7752   2.4206   12.075   25.672   12.775   31.637   14.058   51.613   16.315 -19.97516 21.53616 
1 1 1   11    5   89 o   48.762   11.789   24.083   9.4706   20.070   13.261   28.259   13.530   44.824   16.539   52.701   16.804 -7.877193 23.57781 
1 1 1   11    5   90 o   35.992   15.188   10.252   12.694   0.0000   0.0000   10.252   12.694  ?   ?    35.992   15.188      ?      ? 
1 1 1   11    6    0 o  496.734   6.3011  1672.44   42.407  1712.74   60.653  1633.90   59.315  502.587   8.9055  490.882   8.9167 11.70462 12.60222 
1 1 1   11    6    1 o  389.122   5.3514  1026.41   28.217  1042.74   40.077  1010.35   39.735  392.192   7.5408  386.052   7.5952 6.140381 10.70285 
1 1 1   11    6    2 o  432.297   5.7155  1266.74   33.479  1250.75   46.910  1283.33   47.794  429.519   8.0593  435.075   8.1065 -5.555542 11.43095 
1 1 1   11    6    3 o  525.169   6.5562  1869.55   46.651  1913.57   66.661  1827.29   65.308  531.227   9.2599  519.112   9.2837 12.11493 13.11233 
1 1 1   11    6    4 o  663.100   7.8968  2976.61   70.887  3122.80  103.092  2845.50   97.629  678.510   11.212  647.690   11.123 30.81964 15.79354 
1 1 1   11    6    5 o  883.585   10.121  5289.70  121.063  5080.29  166.767  5523.01  176.026  865.140   14.225  902.029   14.400 -36.88879 20.24135 
1 1 1   11    6    6 o  567.781   8.5968  2192.00   62.277  2172.40  107.902  2201.80   76.262  565.752   14.074  569.811   9.8763 -4.059692 17.19366 
1 1 1   11    6    7 o  484.901   7.6789  1599.55   47.318  1608.68   57.739  1580.89   82.572  487.099   8.7472  482.704   12.623 4.394562 15.35776 
1 1 1   11    6    8 o  844.507   11.954  4845.30  128.770  4847.80  157.493  4840.25  223.656  845.180   13.751  843.834   19.559 1.346375 23.90879 
1 1 1   11    6    9 o  470.594   7.5169  1498.47   44.767  1492.24   54.282  1511.70   79.152  469.149   8.5382  472.038   12.374 -2.889069 15.03371 
1 1 1   11    6   10 o  505.780   7.9132  1740.53   50.849  1750.76   62.034  1719.57   88.769  508.146   9.0087  503.415   13.012 4.731689 15.82640 
1 1 1   11    6   11 o  246.671   5.5258  417.599   16.976  425.774   20.438  399.408   30.488  250.638   6.0173  242.703   9.2698 7.934937 11.05153 
1 1 1   11    6   12 o  515.157   9.1103  1799.43   63.599  1799.43   63.599   0.0000   0.0000  515.157   9.1103  ?   ?       ?      ? 
1 1 1   11    6   13 o  939.541   15.089  5992.73  192.108  5992.73  192.108   0.0000   0.0000  939.541   15.089  ?   ?       ?      ? 
1 1 1   11    6   14 o  381.486   6.0440  986.388   31.245  986.388   31.245   0.0000   0.0000  381.486   6.0440  ?   ?       ?      ? 
1 1 1   11    6   15 o  356.344   5.8047  860.638   28.031  860.638   28.031   0.0000   0.0000  356.344   5.8047  ?   ?       ?      ? 
1 1 1   11    6   16 o  544.898   6.7509  2012.55   49.836  1975.16   69.508  2052.10   71.491  539.694   9.5039  550.101   9.5902 -10.40784 13.50173 
1 1 1   11    6   17 o  425.407   5.6661  1226.98   32.663  1234.40   46.099  1219.50   46.287  426.700   7.9724  424.114   8.0537 2.586426 11.33226 
1 1 1   11    6   18 o  271.082   4.4831  498.222   16.465  505.996   23.161  490.279   23.410  273.221   6.2556  268.942   6.4233 4.279510 8.966116 
1 1 1   11    6   19 o  535.149   6.6625  1940.84   48.297  1894.44   67.158  1990.55   69.508  528.531   9.3766  541.766   9.4676 -13.23511 13.32502 
1 1 1   11    6   20 o  528.492   6.5960  1893.48   47.229  1945.74   67.512  1843.40   66.094  535.631   9.3011  521.352   9.3550 14.27863 13.19191 
1 1 1   11    6   21 o  148.661   4.0628  149.807   8.1783  150.029   11.349  149.567   11.795  148.777   5.6293  148.545   5.8597 0.2315369 8.125532 
1 1 1   11    6   22 o  579.375   7.0878  2276.89   55.645  2258.97   78.125  2295.33   79.274  577.064   9.9905  581.685   10.057 -4.621643 14.17565 
1 1 1   11    6   23 o  653.010   9.6225  2895.29   79.980  2894.04   97.596  2897.84  139.559  653.052   11.028  652.968   15.772 0.8489990E-01 19.24507 
1 1 1   11    6   24 o  866.423   12.250  5118.44  135.551  5142.48  166.181  5070.65  234.314  870.047   14.095  862.800   20.040 7.246948 24.50055 
1 1 1   11    6   25 o  406.344   5.5366  1119.62   30.485  1113.67   42.769  1125.77   43.463  405.248   7.7880  407.440   7.8717 -2.192810 11.07325 
1 1 1   11    6   26 o  252.559   4.4501  432.456   15.221  452.463   21.640  412.864   21.414  258.343   6.1812  246.775   6.4035 11.56851 8.900140 
1 1 1   11    6   27 o  480.119   8.8155  1563.73   57.356   0.0000   0.0000  1563.73   57.356  ?   ?   480.119   8.8155      ?      ? 
1 1 1   11    6   28 o  871.597   14.237  5164.26  168.157   0.0000   0.0000  5164.26  168.157  ?   ?   871.597   14.237      ?      ? 
1 1 1   11    6   29 o  820.576   9.5021  4576.42  105.659  4619.24  150.177  4534.45  148.684  824.375   13.443  816.776   13.433 7.598999 19.00426 
1 1 1   11    6   30 o  457.722   8.5917  1421.54   53.292   0.0000   0.0000  1421.54   53.292  ?   ?   457.722   8.5917      ?      ? 
1 1 1   11    6   31 o  428.049   8.0465  1243.65   46.653  1206.34   64.806  1283.77   67.215  421.395   11.349  434.702   11.410 -13.30655 16.09302 
1 1 1   11    6   32 o  479.997   7.5546  1561.82   46.556  1575.11   79.990  1555.01   57.252  481.346   12.263  478.648   8.8266 2.697998 15.10923 
1 1 1   11    6   33 o  661.090   7.9176  2970.02   70.928  3004.78  100.659  2935.74   99.960  664.937   11.171  657.244   11.223 7.692749 15.83515 
1 1 1   11    6   34 o  315.439   4.8912  674.982   20.897  705.090   29.743  645.631   29.366  322.392   6.8081  308.487   7.0248 13.90475 9.782489 
1 1 1   11    6   35 o  206.310   4.2811  288.789   11.962  291.620   16.677  285.789   17.166  207.356   5.9351  205.264   6.1714 2.091705 8.562216 
1 1 1   11    6   36 o  367.546   5.2927  915.539   26.335  975.014   37.994  860.546   36.535  379.025   7.3972  356.067   7.5716 22.95746 10.58531 
1 1 1   11    6   37 o  410.578   5.6358  1144.10   31.347  1127.01   43.665  1162.29   45.028  407.421   7.9088  413.735   8.0311 -6.313995 11.27153 
1 1 1   11    6   38 o  305.025   5.8178  616.359   22.438  590.441   26.957  674.821   40.487  294.961   6.7440  315.089   9.4819 -20.12756 11.63564 
1 1 1   11    6   39 o  365.628   10.493  909.542   51.991   0.0000   0.0000  909.542   51.991  ?   ?   365.628   10.493      ?      ? 
1 1 1   11    6   40 o  431.719   8.1686  1266.22   47.790  1266.22   47.790   0.0000   0.0000  431.719   8.1686  ?   ?       ?      ? 
1 1 1   11    6   41 f  191.131   5.3584  242.519   12.734  234.468   15.118  262.184   23.628  185.880   6.0018  196.382   8.8785 -10.50179 10.71680 
1 1 1   11    6   42 o   86.550   6.4108   51.337   6.6954   51.819   7.8702   50.074   12.738   87.365   6.6477   85.736   10.964 1.628799 12.82168 
1 1 1   11    6   43 o  193.518   4.3320  254.241   11.355  255.688   15.832  252.708   16.293  194.091   6.0193  192.944   6.2316 1.146545 8.663976 
1 1 1   11    6   44 o  366.829   5.3266  913.411   26.459  964.602   38.047  865.467   36.820  376.783   7.4515  356.875   7.6135 19.90817 10.65318 
1 1 1   11    6   45 o  298.087   4.8359  603.513   19.531  601.487   27.329  605.627   27.922  297.582   6.7768  298.591   6.9006 -1.009064 9.671824 
1 1 1   11    6   46 f  222.064   4.4732  334.910   13.456  336.173   18.799  333.582   19.270  222.501   6.2346  221.628   6.4161 0.8733826 8.946315 
1 1 1   11    6   47 o  259.642   5.6945  461.237   19.006  449.865   32.291  467.264   23.509  257.018   9.2713  262.267   6.6145 -5.248962 11.38899 
1 1 1   11    6   48 o  174.495   5.3686  207.376   12.052  206.005   20.539  208.097   14.885  173.956   8.7126  175.035   6.2752 -1.079300 10.73722 
1 1 1   11    6   49 o  106.580   4.7915   77.152   6.9177   74.335   9.6626   80.115   9.9084  104.584   6.8178  108.577   6.7342 -3.993301 9.582902 
1 1 1   11    6   50 o   54.762   8.9668   20.352   6.2658   18.003   7.6885   24.997   10.812   50.328   11.522   59.195   13.743 -8.866356 17.93352 
1 1 1   11    6   51 o  211.257   9.2035  304.234   26.348   0.0000   0.0000  304.234   26.348  ?   ?   211.257   9.2035      ?      ? 
1 1 1   11    6   52 o  302.087   4.9629  619.828   20.301  653.533   29.260  588.541   28.191  310.005   6.9651  294.170   7.0717 15.83472 9.925806 
1 1 1   11    6   53 o  207.793   4.5571  293.415   12.830  288.171   17.942  298.902   18.353  205.895   6.4306  209.691   6.4587 -3.795670 9.114136 
1 1 1   11    6   54 o  188.390   4.5737  241.379   11.672  246.194   16.409  236.447   16.607  190.303   6.3627  186.477   6.5718 3.825668 9.147305 
1 1 1   11    6   55 o  293.330   4.9288  585.004   19.585  570.046   27.255  600.975   28.163  289.459   6.9482  297.200   6.9927 -7.741058 9.857694 
1 1 1   11    6   56 o  158.362   4.6112  170.471   9.8928  166.498   13.786  174.689   14.205  156.462   6.5019  160.261   6.5406 -3.798996 9.222470 
1 1 1   11    6   57 o   51.493   9.0347   19.970   6.4464   24.412   7.9652   11.537   10.975   59.752   9.8370   43.235   15.157 16.51685 18.06943 
1 1 1   11    6   58 o   46.793   10.130   14.410   6.6041   13.048   7.9071   17.550   12.009   43.161   12.681   50.425   15.802 -7.264393 20.26085 
1 1 1   11    6   59 o  167.430   4.6855  190.785   10.628  188.463   14.830  193.236   15.240  166.389   6.5770  168.471   6.6753 -2.082199 9.371058 
1 1 1   11    6   60 o  185.419   4.6397  234.103   11.657  231.158   16.401  237.110   16.573  184.239   6.5689  186.598   6.5541 -2.359268 9.279378 
1 1 1   11    6   61 o   80.381   6.0746   44.246   6.6081   41.965   9.3962   46.478   9.2951   78.305   8.8548   82.457   8.3185 -4.152100 12.14928 
1 1 1   11    6   62 o  118.992   5.1276   96.934   8.2089   82.893   11.513  111.454   11.708  110.143   7.7135  127.841   6.7581 -17.69803 10.25520 
1 1 1   11    6   63 o  199.984   5.7392  270.547   14.591  283.170   25.776  264.595   17.699  203.036   9.3685  196.933   6.6322 6.102936 11.47843 
1 1 1   11    6   64 o  234.108   4.7844  374.347   15.177  369.100   21.495  379.564   21.432  232.456   6.8235  235.760   6.7083 -3.303696 9.568780 
1 1 1   11    6   65 o   93.409   5.6547   59.798   7.1396   65.832   10.269   54.151   9.9335   98.004   7.7321   88.814   8.2534 9.189697 11.30947 
1 1 1   11    6   66 f  128.057   4.9785  112.472   8.6237  105.420   12.255  119.389   12.138  124.026   7.2913  132.089   6.7809 -8.062843 9.957066 
1 1 1   11    6   67 f   94.028   6.5937   57.671   7.9529   72.122   14.251   51.135   9.5840  101.877   10.323   86.179   8.2066 15.69801 13.18742 
1 1 1   11    6   68 o  128.465   4.9499  113.223   8.6135  118.021   12.330  108.648   12.038  131.137   6.9381  125.794   7.0619 5.343620 9.899878 
1 1 1   11    6   69 o   54.028   8.3137   21.381   5.9122   19.959   8.5332   22.693   8.1990   52.129   12.281   55.926   11.209 -3.797161 16.62743 
1 1 1   11    6   70 o   93.951   5.5967   61.003   7.1069   67.158   10.216   55.229   9.8935   98.605   7.6451   89.298   8.1757 9.306831 11.19332 
1 1 1   11    6   71 o   67.592   6.7236   32.017   6.1519   31.164   8.8265   32.823   8.5790   66.655   9.7719   68.530   9.2379 -1.875229 13.44725 
1 1 1   11    6   72 o   29.012   8.6053   1.1043   5.9496   5.1856   7.4136  -6.2798   9.9720   31.668   12.211   26.356   12.128 5.312176 17.21057 
1 1 1   11    6   73 o  144.434   6.3578  146.096   11.466  145.438   13.774  147.580   20.691  144.904   7.0146  143.964   10.606 0.9397583 12.71564 
1 1 1   11    6   74 o   70.659   9.1461   39.586   7.7005   43.478   9.3042   31.122   13.720   78.621   8.7329   62.698   16.073 15.92290 18.29220 
1 1 1   11    6   75 o   81.417   6.0954   46.837   6.7095   49.017   9.3404   44.514   9.6442   83.510   8.2536   79.323   8.9718 4.186554 12.19081 
1 1 1   11    6   76 o   45.034   8.3703   15.359   5.6990   23.895   7.9616   6.3901   8.1613   56.695   10.756   33.373   12.828 23.32183 16.74050 
1 1 1   11    6   77 f   45.196   8.6671   15.653   5.6529   21.021   7.9848   10.258   8.0041   52.654   11.512   37.738   12.960 14.91625 17.33429 
1 1 1   11    6   78 o   52.429   9.7732   20.576   6.7819   26.628   11.632   17.459   8.3478   57.493   14.831   47.364   12.732 10.12918 19.54643 
1 1 1   11    6   79 o   51.932   8.6988   20.977   6.0303   22.045   8.3769   19.829   8.6877   53.535   11.859   50.330   12.729 3.205627 17.39761 
1 1 1   11    6   80 o   69.252   8.5838   36.396   7.4773   36.930   12.616   36.107   9.2834   67.979   14.155   70.525   9.7137 -2.546028 17.16768 
1 1 1   11    6   81 o  102.354   6.9870   77.355   9.2382   73.174   15.272   79.769   11.602   98.931   11.391  105.777   8.0937 -6.845261 13.97390 
1 1 1   11    6   82 o   57.355   9.3852   29.139   7.5632   14.285   12.525   37.664   9.4884   42.994   16.032   71.717   9.7631 -28.72286 18.77043 
1 1 1   11    6   83 o   51.731   9.9736   22.649   7.1682   19.398   11.732   24.586   9.0549   47.789   15.682   55.673   12.327 -7.883690 19.94711 
1 1 1   11    6   84 o   36.756   9.7420   9.8059   6.7601   4.9756   10.890   12.834   8.6224   33.469   14.093   40.043   13.454 -6.574196 19.48393 
1 1 1   11    6   85 o   40.340   10.647   12.088   8.4059   19.825   11.634   3.6360   12.159   47.373   15.620   33.307   14.473 14.06604 21.29394 
1 1 1   11    6   86 f   45.899   11.577   19.252   9.1178   17.223   12.834   21.319   12.956   43.932   16.258   47.866   16.485 -3.933731 23.15398 
1 1 1   11    6   87 o   40.564   15.836   14.185   12.588   14.185   12.588   0.0000   0.0000   40.564   15.836  ?   ?       ?      ? 
1 1 1   11    6   88 o   26.809   8.8547  -5.5872   8.0743 -11.5205   11.290   0.6239   11.552   23.858   11.527   29.760   13.444 -5.901478 17.70934 
1 1 1   11    6   89 o   50.696   10.896   24.956   9.3953   10.034   13.086   40.831   13.497   36.079   15.333   65.313   15.485 -29.23360 21.79229 
1 1 1   11    7    0 o  349.979   6.1030  830.671   27.495  831.186   33.946  829.689   46.880  350.171   7.1537  349.787   9.8900 0.3837891 12.20607 
1 1 1   11    7    1 f  208.624   7.9364  295.061   22.437   0.0000   0.0000  295.061   22.437  ?   ?   208.624   7.9364      ?      ? 
1 1 1   11    7    2 o  239.408   5.1411  387.237   15.875  384.361   19.603  392.715   27.057  238.137   6.0746  240.678   8.2959 -2.541626 10.28221 
1 1 1   11    7    3 o  464.288   7.2752  1431.36   42.849  1378.40   51.680  1547.84   76.640  450.901   8.4579  477.674   11.840 -26.77316 14.55041 
1 1 1   11    7    4 o  316.203   5.7826  678.065   23.529  678.556   29.040  677.127   40.144  316.397   6.7730  316.009   9.3743 0.3889465 11.56511 
1 1 1   11    7    5 o  423.250   11.151  1215.07   63.955   0.0000   0.0000  1215.07   63.955  ?   ?   423.250   11.151      ?      ? 
1 1 1   11    7    6 o  871.268   12.221  5206.26  137.227  5323.22  170.648  4992.21  230.858  885.605   14.219  856.931   19.880 28.67438 24.44181 
1 1 1   11    7    7 o  569.326   14.226  2200.00  109.755   0.0000   0.0000  2200.00  109.755  ?   ?   569.326   14.226      ?      ? 
1 1 1   11    7    8 o  422.359   7.1014  1228.06   38.170  1265.34   46.950  1155.38   65.556  432.023   8.0194  412.694   11.722 19.32886 14.20272 
1 1 1   11    7    9 o  552.884   7.9891  2075.59   51.234  2077.54   58.844  2069.46  104.164  553.583   7.8439  552.186   13.920 1.396606 15.97817 
1 1 1   11    7   10 o  206.539   5.1639  288.969   11.638  288.828   13.039  289.523   25.808  206.444   4.6606  206.634   9.2164 -0.1903992 10.32784 
1 1 1   11    7   11 o  519.998   7.6362  1834.20   45.974  1834.33   52.747  1833.78   93.784  520.179   7.4828  519.817   13.314 0.3616333 15.27238 
1 1 1   11    7   12 o  638.063   8.9316  2786.47   66.646  2810.28   76.996  2715.32  133.083  643.787   8.8256  632.339   15.531 11.44794 17.86319 
1 1 1   11    7   13 f  743.456   10.132  3747.71   87.759  3743.19  100.957  3761.69  177.527  742.911   10.028  744.002   17.608 -1.090942 20.26327 
1 1 1   11    7   14 o  597.746   8.4978  2439.61   59.212  2454.43   68.258  2394.53  119.024  601.657   8.3719  593.834   14.791 7.822998 16.99566 
1 1 1   11    7   15 o  481.320   7.2359  1561.76   40.128  1553.18   45.873  1589.74   82.810  478.655   7.0722  483.986   12.626 -5.331024 14.47180 
1 1 1   11    7   16 o  664.638   9.2503  3047.60   72.408  3099.61   84.139  2899.11  142.164  676.056   9.1840  653.221   16.060 22.83411 18.50059 
1 1 1   11    7   17 o  588.620   8.3642  2320.52   56.718  2293.50   64.740  2409.74  117.629  581.581   8.2145  595.658   14.573 -14.07697 16.72830 
1 1 1   11    7   18 o  312.128   6.0169  651.038   23.558  635.836   28.221  685.979   42.785  306.253   6.8001  318.003   9.9283 -11.75040 12.03380 
1 1 1   11    7   19 o  287.847   4.6571  561.776   18.162  576.335   25.702  547.256   25.667  291.575   6.5049  284.120   6.6664 7.454620 9.314232 
1 1 1   11    7   20 o  466.533   6.0599  1475.64   38.304  1517.03   54.689  1435.79   53.665  472.954   8.5330  460.112   8.6069 12.84177 12.11984 
1 1 1   11    7   21 o  898.330   10.289  5482.55  125.239  5421.47  175.587  5545.80  178.683  893.245   14.506  903.414   14.595 -10.16852 20.57761 
1 1 1   11    7   22 o  623.808   7.5245  2640.19   63.601  2690.38   90.714  2591.67   89.195  629.639   10.632  617.978   10.651 11.66101 15.04903 
1 1 1   11    7   23 o  249.706   5.6616  430.011   17.703  442.246   21.457  403.927   31.330  255.409   6.1995  244.003   9.4752 11.40541 11.32311 
1 1 1   11    7   24 o  160.366   5.3767  174.387   10.580  174.365   12.537  174.443   19.721  160.378   5.7684  160.354   9.0754 0.2383423E-01 10.75350 
1 1 1   11    7   25 o  227.111   4.3279  349.521   13.314  343.813   18.516  355.632   19.160  225.194   6.0673  229.029   6.1733 -3.835495 8.655758 
1 1 1   11    7   26 f  530.344   8.1187  1921.81   55.511  1871.60   93.709  1948.96   68.902  524.783   13.177  535.905   9.4877 -11.12201 16.23732 
1 1 1   11    7   27 o  266.762   5.4610  481.239   18.868  487.667   31.861  477.767   23.415  268.087   8.7700  265.437   6.5097 2.650391 10.92192 
1 1 1   11    7   28 o  123.033   4.3519  102.207   7.2400   94.369   9.8893  111.260   10.628  117.971   6.1860  128.095   6.1229 -10.12419 8.703792 
1 1 1   11    7   29 o  279.917   4.6432  531.476   17.608  535.235   24.655  527.563   25.154  280.931   6.4762  278.904   6.6554 2.027863 9.286320 
1 1 1   11    7   30 o  451.196   7.4407  1419.34   43.477  1248.64   70.535  1523.94   55.213  428.549   12.146  473.844   8.5985 -45.29486 14.88132 
1 1 1   11    7   31 o  490.495   6.3354  1629.96   42.065  1728.38   61.069  1541.10   58.026  504.558   8.9315  476.432   8.9876 28.12579 12.67076 
1 1 1   11    7   33 o  307.277   4.8532  639.832   20.193  621.115   27.894  660.442   29.270  302.565   6.8031  311.989   6.9231 -9.424225 9.706314 
1 1 1   11    7   34 o  209.357   5.9981  296.413   16.976  270.632   23.233  325.945   24.866  199.625   8.5884  219.089   8.3754 -19.46458 11.99617 
1 1 1   11    7   35 o  395.247   7.7136  1061.63   41.294  1026.64   57.323  1099.38   59.537  388.486   10.889  402.007   10.929 -13.52069 15.42721 
1 1 1   11    7   36 o  284.460   6.5905  549.119   25.405  549.119   25.405   0.0000   0.0000  284.460   6.5905  ?   ?       ?      ? 
1 1 1   11    7   37 o  214.393   4.3580  312.174   12.650  322.309   17.719  301.641   18.065  217.953   5.9992  210.833   6.3227 7.119843 8.715959 
1 1 1   11    7   38 o  221.462   4.3900  332.882   13.166  334.297   18.318  331.370   18.938  221.956   6.0900  220.969   6.3245 0.9867706 8.779969 
1 1 1   11    7   39 o  351.116   7.4160  837.279   35.286   0.0000   0.0000  837.279   35.286  ?   ?   351.116   7.4160      ?      ? 
1 1 1   11    7   40 o  408.728   5.6434  1135.26   31.253  1140.68   43.890  1129.69   44.514  409.728   7.9047  407.727   8.0565 2.001282 11.28677 
1 1 1   11    7   41 o  385.588   5.4798  1009.04   28.608  1070.24   41.194  952.031   39.761  396.880   7.6593  374.296   7.8389 22.58350 10.95959 
1 1 1   11    7   42 o  454.922   7.4909  1416.43   43.283  1428.44   52.842  1391.94   75.454  458.318   8.5081  451.526   12.332 6.791809 14.98181 
1 1 1   11    7   43 o  217.105   6.4115  320.065   18.863   0.0000   0.0000  320.065   18.863  ?   ?   217.105   6.4115      ?      ? 
1 1 1   11    7   44 o  287.137   4.7942  560.219   18.649  575.189   26.331  545.152   26.416  290.998   6.6772  283.276   6.8813 7.721649 9.588369 
1 1 1   11    7   45 o  207.545   6.3371  292.549   17.823   0.0000   0.0000  292.549   17.823  ?   ?   207.545   6.3371      ?      ? 
1 1 1   11    7   46 o  121.780   9.7551  101.075   16.099   0.0000   0.0000  101.075   16.099  ?   ?   121.780   9.7551      ?      ? 
1 1 1   11    7   47 o  341.398   10.561  795.410   48.861   0.0000   0.0000  795.410   48.861  ?   ?   341.398   10.561      ?      ? 
1 1 1   11    7   48 o  268.125   6.7461  488.612   24.512   0.0000   0.0000  488.612   24.512  ?   ?   268.125   6.7461      ?      ? 
1 1 1   11    7   49 o  324.842   5.0921  717.576   22.414  715.312   31.459  719.909   31.942  324.329   7.1578  325.355   7.2446 -1.026001 10.18426 
1 1 1   11    7   50 o  216.299   4.5473  318.098   13.324  325.503   18.739  310.528   18.947  218.857   6.3185  213.741   6.5414 5.116074 9.094671 
1 1 1   11    7   51 o  232.467   4.6071  367.436   14.495  391.741   20.636  343.764   20.365  240.077   6.3430  224.857   6.6835 15.21976 9.214259 
1 1 1   11    7   52 o  125.077   6.8043  106.396   11.533  106.396   11.533   0.0000   0.0000  125.077   6.8043  ?   ?       ?      ? 
1 1 1   11    7   53 o  111.497   5.0816   84.507   7.6714   82.563   10.589   86.655   11.129  110.155   7.0935  112.839   7.2782 -2.684357 10.16318 
1 1 1   11    7   54 o  117.146   6.0775   97.489   8.9996  106.084   11.202   81.838   15.115  124.887   6.6188  109.405   10.195 15.48238 12.15508 
1 1 1   11    7   55 o  153.603   4.6314  160.259   9.6314  151.084   13.359  170.190   13.899  149.026   6.6149  158.181   6.4840 -9.154633 9.262774 
1 1 1   11    7   56 o  191.481   4.5831  249.425   11.892  247.632   16.707  251.266   16.930  190.786   6.4622  192.176   6.5008 -1.390213 9.166259 
1 1 1   11    7   57 o  182.835   6.5547  227.516   16.240   0.0000   0.0000  227.516   16.240  ?   ?   182.835   6.5547      ?      ? 
1 1 1   11    7   58 o  159.211   4.7118  172.619   10.165  173.966   14.321  171.251   14.431  159.843   6.6113  158.579   6.7154 1.264252 9.423696 
1 1 1   11    7   59 o  184.954   5.7862  234.101   13.564  234.895   16.508  232.452   23.798  185.705   6.5600  184.203   9.5336 1.501953 11.57247 
1 1 1   11    7   60 o  213.156   4.6695  309.653   13.488  309.474   19.070  309.831   19.080  213.094   6.6040  213.217   6.6034 -0.1228180 9.339005 
1 1 1   11    7   61 o   37.196   8.8729   8.5444   5.4918   12.590   7.8461   4.6587   7.6896   42.342   12.680   32.050   12.415 10.29166 17.74581 
1 1 1   11    7   62 o  170.448   4.6731  198.248   10.791  205.057   15.335  191.570   15.186  173.362   6.5275  167.535   6.6891 5.827148 9.346212 
1 1 1   11    7   63 o  175.855   5.6278  208.474   12.799  200.740   15.756  223.478   21.946  171.411   6.7832  180.299   8.9821 -8.887558 11.25567 
1 1 1   11    7   64 o  156.001   6.7416  166.400   14.252   0.0000   0.0000  166.400   14.252  ?   ?   156.001   6.7416      ?      ? 
1 1 1   11    7   65 o   99.223   7.1561   73.112   8.6671   55.592   14.945   81.989   10.639   89.069   12.382  109.376   7.1777 -20.30648 14.31216 
1 1 1   11    7   66 o  145.694   4.7880  145.167   9.4359  158.115   13.654  133.329   13.055  151.934   6.6315  139.454   6.9083 12.48026 9.576067 
1 1 1   11    7   67 o   44.380   8.8846   14.300   5.5772   14.608   8.1393   14.028   7.6575   44.820   12.778   43.939   12.348 0.8807907 17.76929 
1 1 1   11    7   68 o   53.669   8.2527   21.001   5.8488   25.233   8.4555   17.119   8.0990   59.093   10.963   48.245   12.339 10.84716 16.50532 
1 1 1   11    7   69 o  130.776   5.9307  115.737   10.080  108.839   12.434  128.961   17.216  125.603   7.3051  135.950   9.3450 -10.34734 11.86137 
1 1 1   11    7   70 o  123.716   5.9959   98.694   9.5919   81.895   11.626  134.495   16.973  108.665   7.8954  138.767   9.0259 -30.10172 11.99183 
1 1 1   11    7   71 o   50.125   8.0488   18.164   5.8346   29.693   8.4655   7.7322   8.0526   64.954   9.6175   35.295   12.909 29.65929 16.09753 
1 1 1   11    7   72 f   93.569   5.7136   61.091   7.2432   62.810   10.342   59.437   10.147   94.872   8.0445   92.266   8.1158 2.606850 11.42711 
1 1 1   11    7   73 f  114.596   5.2667   91.567   8.1709   93.879   11.408   89.132   11.708  116.166   7.2469  113.025   7.6442 3.141182 10.53340 
1 1 1   11    7   74 o  109.180   6.8394   86.780   9.2539   89.912   11.191   80.007   16.456  113.536   7.2736  104.823   11.585 8.713379 13.67884 
1 1 1   11    7   75 o   47.314   8.8309   17.178   5.7445   17.321   8.0657   17.030   8.1833   47.538   12.393   47.090   12.584 0.4482117 17.66177 
1 1 1   11    7   76 o   99.727   5.6269   70.248   7.5886   74.496   10.661   65.886   10.804  102.939   7.6426   96.514   8.2607 6.424683 11.25378 
1 1 1   11    7   77 o   68.366   7.2398   34.156   6.4638   27.556   8.8622   41.657   9.4482   60.470   11.228   76.262   9.1424 -15.79206 14.47956 
1 1 1   11    7   78 o   35.124   13.000   8.2217   8.2060   0.0000   0.0000   8.2217   8.2060  ?   ?    35.124   13.000      ?      ? 
1 1 1   11    7   79 o   44.042   13.192   15.280   8.4914   0.0000   0.0000   15.280   8.4914  ?   ?    44.042   13.192      ?      ? 
1 1 1   11    7   80 o   39.462   9.9111   10.708   6.6185   16.363   10.609   7.1042   8.4688   45.070   14.918   33.855   13.052 11.21449 19.82223 
1 1 1   11    7   81 o   43.924   9.1172   15.936   7.0595  -0.4134   11.798   25.055   8.8110   31.135   13.862   56.714   11.847 -25.57868 18.23448 
1 1 1   11    7   82 o   82.597   9.8515   55.483   10.434   39.828   14.673   71.494   14.839   67.960   16.167   97.234   11.262 -29.27387 19.70302 
1 1 1   11    7   83 o   77.997   10.233   50.365   10.475   40.215   14.659   60.958   14.975   67.752   16.187   88.242   12.523 -20.48990 20.46614 
1 1 1   11    7   84 o   40.700   10.641   11.748   8.5207   21.894   12.128   1.8605   11.973   49.412   15.926   31.987   14.116 17.42471 21.28204 
1 1 1   11    7   85 o   39.508   10.605   9.7691   8.6608   22.720   12.792  -1.1915   11.768   49.345   16.384   29.671   13.470 19.67336 21.21059 
1 1 1   11    7   86 o   48.290   10.202   18.229   8.9736   39.096   13.147   0.0297   12.278   66.093   15.020   30.488   13.809 35.60464 20.40310 
1 1 1   11    7   87 o   32.600   10.010   4.0937   8.5083   10.171   11.805  -2.4765   12.274   36.411   14.944   28.789   13.321 7.622450 20.01937 
1 1 1   11    7   88 o   40.683   15.895   16.100   12.689   16.100   12.689   0.0000   0.0000   40.683   15.895  ?   ?       ?      ? 
1 1 1   11    8    0 o  710.533   8.3866  3422.37   80.720  3531.41  116.085  3320.28  112.320  721.482   11.873  699.585   11.848 21.89709 16.77320 
1 1 1   11    8    1 o  699.691   11.742  3321.25  111.336   0.0000   0.0000  3321.25  111.336  ?   ?   699.691   11.742      ?      ? 
1 1 1   11    8    2 f  586.586   8.8533  2314.92   65.836  2390.46  116.670  2279.63   79.745  593.406   14.509  579.767   10.150 13.63885 17.70658 
1 1 1   11    8    3 o  600.890   9.0288  2448.79   69.151  2454.08  120.385  2446.18   84.478  601.222   14.776  600.557   10.380 0.6653442 18.05757 
1 1 1   11    8    4 o  674.896   9.8895  3083.50   85.013  3116.16  148.501  3067.59  103.685  677.340   16.179  672.453   11.378 4.887878 19.77899 
1 1 1   11    8    5 o  619.408   7.5096  2595.65   62.952  2749.69   91.833  2459.08   86.466  636.699   10.643  602.116   10.597 34.58276 15.01926 
1 1 1   11    8    6 o  649.740   7.7905  2859.26   68.535  2755.33   94.556  2974.29   99.476  637.325   10.948  662.155   11.086 -24.82983 15.58094 
1 1 1   11    8    7 o  542.898   6.7661  1997.28   49.756  1947.21   69.111  2051.17   71.691  535.842   9.5176  549.955   9.6195 -14.11304 13.53221 
1 1 1   11    8    8 o  385.558   6.7163  1006.08   32.605  1002.57   39.368  1013.74   58.183  384.554   7.5544  386.562   11.107 -2.008148 13.43260 
1 1 1   11    8    9 o  382.079   6.2987  974.883   27.434  962.401   31.161  1017.90   57.849  376.806   6.1025  387.351   11.021 -10.54437 12.59747 
1 1 1   11    8   10 o  584.281   8.3516  2306.06   56.515  2296.43   64.784  2336.73  115.610  581.963   8.2146  586.599   14.544 -4.636108 16.70317 
1 1 1   11    8   11 o  461.520   7.0454  1417.90   37.136  1395.53   42.185  1494.93   78.276  453.713   6.8611  469.326   12.308 -15.61285 14.09082 
1 1 1   11    8   12 o  701.208   9.6424  3314.54   78.367  3292.46   89.812  3385.00  160.426  696.726   9.5124  705.691   16.776 -8.965088 19.28486 
1 1 1   11    8   13 o  602.262   8.5463  2460.61   59.786  2459.45   68.690  2464.27  121.421  602.230   8.4169  602.293   14.877 -0.6243896E-01 17.09255 
1 1 1   11    8   14 o  672.480   9.3181  3059.84   72.766  3049.76   83.535  3091.54  148.155  670.555   9.1929  674.405   16.211 -3.849976 18.63623 
1 1 1   11    8   15 o  847.426   11.334  4846.15  111.485  4813.26  127.861  4950.44  227.690  842.171   11.204  852.680   19.705 -10.50909 22.66721 
1 1 1   11    8   16 o  635.653   8.9216  2730.80   65.736  2719.08   75.383  2767.99  134.302  633.162   8.7857  638.144   15.530 -4.981995 17.84324 
1 1 1   11    8   17 o  191.510   5.2563  254.988   11.175  259.886   12.663  237.738   23.763  195.816   4.7719  187.204   9.3671 8.612289 10.51258 
1 1 1   11    8   18 o  635.198   8.9008  2692.41   65.024  2651.29   74.105  2829.98  135.561  625.203   8.7467  645.192   15.505 -19.98877 17.80165 
1 1 1   11    8   19 o  665.034   9.2278  2965.89   70.776  2932.08   80.837  3076.92  146.490  657.437   9.0734  672.630   16.071 -15.19275 18.45565 
1 1 1   11    8   20 o  356.422   7.3600  861.724   35.469  855.658   48.477  868.712   52.033  355.091   10.074  357.753   10.733 -2.661346 14.72006 
1 1 1   11    8   21 o  555.637   9.7795  2096.56   73.571  2060.20  101.580  2136.68  106.699  550.600   13.614  560.674   14.043 -10.07379 19.55901 
1 1 1   11    8   22 f  489.590   8.9380  1625.12   59.192  1575.93   80.853  1681.94   86.894  481.648   12.387  497.532   12.888 -15.88364 17.87595 
1 1 1   11    8   23 o  149.802   4.2553  151.537   8.6140  136.627   11.806  168.508   12.596  141.953   6.1375  157.652   5.8959 -15.69861 8.510612 
1 1 1   11    8   24 o  366.941   5.2673  913.300   26.189  930.445   37.107  896.284   36.968  370.375   7.3932  363.507   7.5046 6.868347 10.53464 
1 1 1   11    8   25 o  279.710   4.6541  528.603   17.608  493.792   24.068  568.694   25.829  269.838   6.5819  289.581   6.5819 -19.74326 9.308258 
1 1 1   11    8   26 o  230.530   4.3957  360.553   13.723  375.463   19.404  345.631   19.411  235.305   6.0851  225.755   6.3451 9.549438 8.791376 
1 1 1   11    8   27 o  466.349   6.0975  1476.05   38.530  1469.51   54.025  1482.83   54.967  465.302   8.5679  467.396   8.6782 -2.093964 12.19509 
1 1 1   11    8   28 o  392.408   5.4862  1043.95   29.158  1015.59   40.429  1074.68   42.093  386.863   7.7117  397.952   7.8054 -11.08881 10.97248 
1 1 1   11    8   29 o  392.633   6.8210  1066.51   34.510  982.111   57.414  1114.25   43.182  380.081   11.147  405.185   7.8643 -25.10391 13.64196 
1 1 1   11    8   30 o  431.337   8.2072  1256.60   47.801  1383.50   71.267  1152.83   64.447  450.983   11.661  411.690   11.552 39.29376 16.41431 
1 1 1   11    8   31 o  358.450   10.294  873.433   50.002   0.0000   0.0000  873.433   50.002  ?   ?   358.450   10.294      ?      ? 
1 1 1   11    8   32 o  125.509   4.4034  106.894   7.4762  107.287   10.283  106.453   10.889  125.758   6.0341  125.259   6.4147 0.4992981 8.806753 
1 1 1   11    8   33 o  239.699   6.2451  389.831   20.285  389.831   20.285   0.0000   0.0000  239.699   6.2451  ?   ?       ?      ? 
1 1 1   11    8   34 o  277.781   4.6853  523.433   17.630  515.407   24.523  532.017   25.362  275.582   6.5667  279.979   6.6847 -4.397247 9.370509 
1 1 1   11    8   35 o  379.211   5.4114  975.540   27.787  1031.49   39.967  923.201   38.658  389.733   7.5676  368.690   7.7373 21.04291 10.82286 
1 1 1   11    8   36 o  210.859   6.2972  301.753   17.994   0.0000   0.0000  301.753   17.994  ?   ?   210.859   6.2972      ?      ? 
1 1 1   11    8   37 o  236.993   4.4892  380.693   14.403  369.805   19.837  392.831   20.945  233.419   6.2714  240.566   6.4250 -7.146835 8.978361 
1 1 1   11    8   38 o  186.351   5.2750  239.558   12.821  221.725   20.788  250.506   16.288  180.597   8.4944  192.106   6.2568 -11.50969 10.54995 
1 1 1   11    8   39 o  224.377   6.1404  342.475   18.665  348.331   26.222  336.461   26.574  226.334   8.5492  222.420   8.8165 3.914520 12.28088 
1 1 1   11    8   40 o  308.365   6.0216  657.973   23.810  683.774   29.589  610.572   40.105  317.289   6.8817  299.441   9.8834 17.84827 12.04324 
1 1 1   11    8   41 o  408.532   8.0886  1134.82   44.780   0.0000   0.0000  1134.82   44.780  ?   ?   408.532   8.0886      ?      ? 
1 1 1   11    8   42 o  274.937   9.8245  514.964   36.604   0.0000   0.0000  514.964   36.604  ?   ?   274.937   9.8245      ?      ? 
1 1 1   11    8   43 o  223.510   6.5364  340.415   19.779  345.838   27.510  334.613   28.457  225.382   9.0072  221.638   9.4746 3.744217 13.07278 
1 1 1   11    8   44 o  209.894   5.4201  300.322   14.761  297.046   24.671  302.150   18.423  208.888   8.7153  210.900   6.4461 -2.011185 10.84015 
1 1 1   11    8   45 o  160.366   4.5189  174.126   9.7971  158.364   13.464  191.864   14.283  152.671   6.5078  168.061   6.2713 -15.39041 9.037774 
1 1 1   11    8   46 o  300.425   4.9177  613.683   20.010  638.140   28.359  589.433   28.239  306.404   6.8298  294.445   7.0772 11.95972 9.835331 
1 1 1   11    8   47 o  102.595   5.0471   71.388   7.0077   67.214   9.6349   76.075   10.211   99.419   7.1515  105.771   7.1239 -6.351822 10.09424 
1 1 1   11    8   48 o  238.271   5.6473  381.805   17.261  400.941   29.988  372.323   21.109  242.510   9.1252  234.031   6.6559 8.479324 11.29469 
1 1 1   11    8   49 o  172.100   4.5406  200.990   10.581  192.500   14.614  210.342   15.339  168.288   6.4083  175.912   6.4344 -7.623825 9.081218 
1 1 1   11    8   50 o  234.077   5.5730  365.411   16.657  351.014   20.211  395.897   29.412  227.215   6.5641  240.938   9.0081 -13.72346 11.14594 
1 1 1   11    8   51 o  210.931   5.6113  306.497   15.156  314.005   18.732  292.264   25.792  214.903   6.4322  206.959   9.1964 7.944550 11.22256 
1 1 1   11    8   52 o  201.118   4.5543  275.102   12.410  277.832   17.421  272.290   17.682  202.140   6.3596  200.096   6.5208 2.044357 9.108524 
1 1 1   11    8   53 o   75.582   6.1253   38.957   6.2476   34.348   8.6915   43.884   8.9869   70.935   9.0417   80.229   8.2660 -9.293503 12.25068 
1 1 1   11    8   54 o  125.424   4.9119  107.600   8.2734  124.992   11.759   90.551   11.643  135.553   6.4015  115.296   7.4517 20.25759 9.823742 
1 1 1   11    8   55 o  173.083   4.6193  203.600   10.822  190.357   15.033  217.847   15.592  167.237   6.6332  178.929   6.4304 -11.69254 9.238522 
1 1 1   11    8   56 o  245.762   4.7413  411.090   15.787  401.973   22.056  420.667   22.607  242.970   6.6987  248.553   6.7117 -5.583206 9.482566 
1 1 1   11    8   57 o  137.484   4.8481  128.753   9.0040  115.436   12.552  142.867   12.923  130.134   7.1179  144.835   6.5843 -14.70103 9.696251 
1 1 1   11    8   58 o  128.296   4.9550  112.250   8.6134  114.385   12.174  110.110   12.189  129.526   6.9356  127.066   7.0786 2.460159 9.910035 
1 1 1   11    8   59 o  261.564   6.0981  478.209   20.225  497.946   24.886  439.813   34.710  270.200   6.7966  252.928   10.127 17.27205 12.19629 
1 1 1   11    8   60 o  157.281   4.7512  168.717   10.123  162.936   14.151  174.776   14.488  154.517   6.7582  160.045   6.6801 -5.528534 9.502500 
1 1 1   11    8   61 o   94.562   6.7348   61.621   8.1024   61.313   14.107   61.773   9.8977   94.130   11.059   94.995   7.6887 -0.8650970 13.46954 
1 1 1   11    8   62 o  117.416   6.0869   90.464   9.1333  107.637   16.381   82.717   11.002  124.919   9.6767  109.914   7.3866 15.00475 12.17377 
1 1 1   11    8   63 o  135.691   4.9363  126.055   9.0731  125.864   13.013  126.237   12.657  135.570   7.0832  135.812   6.8772 -0.2422333 9.872616 
1 1 1   11    8   64 o   73.275   8.3015   39.904   7.3247   33.339   12.696   43.180   8.9677   67.370   14.346   79.179   8.3578 -11.80904 16.60302 
1 1 1   11    8   65 o   95.774   6.6356   61.326   8.1708   70.757   14.385   56.834   9.9279  100.734   10.538   90.813   8.0672 9.920181 13.27119 
1 1 1   11    8   66 o   77.534   6.2168   41.600   6.5273   43.829   9.4008   39.526   9.0699   79.550   8.7205   75.518   8.8628 4.032227 12.43364 
1 1 1   11    8   67 o   70.983   7.7038   33.621   7.1992   27.927   8.9760   43.891   12.054   63.085   10.500   78.880   11.276 -15.79431 15.40770 
1 1 1   11    8   68 o   68.870   6.6366   33.143   6.1610   37.726   8.8630   28.858   8.5704   73.585   8.8881   64.155   9.8579 9.429489 13.27319 
1 1 1   11    8   69 o   45.481   8.8220   15.335   5.5934   15.990   8.1670   14.757   7.6763   46.345   12.650   44.616   12.300 1.729305 17.64391 
1 1 1   11    8   70 o   47.646   8.7607   16.977   5.7727   20.426   8.2243   13.628   8.1046   52.381   11.862   42.912   12.896 9.468487 17.52143 
1 1 1   11    8   71 o   33.864   7.4164   3.5453   5.1888 -10.0352   7.3174   17.281   7.3590   19.613   9.4267   48.114   11.452 -28.50045 14.83273 
1 1 1   11    8   72 o   83.777   8.3613   49.310   9.4925   49.310   9.4925   0.0000   0.0000   83.777   8.3613  ?   ?       ?      ? 
1 1 1   11    8   73 o   38.999   8.8831   10.942   5.5476   15.047   7.7852   6.7068   7.9071   44.461   12.435   33.537   12.689 10.92422 17.76616 
1 1 1   11    8   74 o   41.433   10.163   11.984   6.4869   11.012   7.6820   14.398   12.110   38.663   12.690   44.202   15.878 -5.539730 20.32615 
1 1 1   11    8   75 o   58.580   11.182   27.726   9.0676   24.422   12.184   31.827   13.575   54.797   15.638   62.363   15.989 -7.566162 22.36455 
1 1 1   11    8   76 o  106.981   7.0907   86.198   9.5040   72.783   16.072   93.412   11.785   98.809   12.003  115.152   7.5525 -16.34382 14.18138 
1 1 1   11    8   77 o   65.938   9.3832   38.109   7.8461   20.736   13.049   47.946   9.8193   50.078   16.544   81.798   8.8585 -31.71923 18.76634 
1 1 1   11    8   78 o   43.721   9.9345   13.815   6.7187   21.652   10.835   8.9184   8.5642   51.424   14.769   36.018   13.291 15.40570 19.86892 
1 1 1   11    8   79 o   75.648   9.9516   41.901   10.202   0.0000   0.0000   41.901   10.202  ?   ?    75.648   9.9516      ?      ? 
1 1 1   11    8   80 o   25.771   8.5796  -8.4331   7.7364  -6.8779   10.873 -10.0277   11.010   26.403   12.326   25.139   11.938 1.263910 17.15915 
1 1 1   11    8   81 o   36.550   10.538   7.6024   8.3073   10.722   11.818   4.5554   11.680   39.064   15.318   34.037   14.476 5.026451 21.07648 
1 1 1   11    8   82 o   40.600   11.052   12.620   8.6126   14.703   12.260   10.591   12.101   42.460   15.856   38.741   15.402 3.718872 22.10500 
1 1 1   11    8   83 o   37.527   9.5662   0.2579   8.4627 -22.0597   11.562   26.014   12.421   21.390   10.600   53.663   15.928 -32.27307 19.13232 
1 1 1   11    8   84 o   40.726   11.069   13.674   8.7026   10.066   12.233   17.370   12.383   37.496   15.281   43.957   16.018 -6.460548 22.13761 
1 1 1   11    8   85 o   34.747   10.374   7.1847   8.4478   9.9246   11.859   4.3621   12.037   36.703   15.011   32.791   14.321 3.911346 20.74710 
1 1 1   11    8   86 o   64.442   9.9465   37.320   9.9156   67.128   14.689   12.366   13.440   90.451   11.984   38.432   15.878 52.01913 19.89299 
1 1 1   11    8   87 o   45.407   10.492   18.232   9.0282   1.7629   12.639   35.390   12.901   30.710   13.949   60.104   15.676 -29.39363 20.98352 
1 1 1   11    9    0 o  490.005   6.3237  1627.81   41.982  1605.27   58.639  1651.50   60.132  486.530   8.8939  493.481   8.9919 -6.950836 12.64736 
1 1 1   11    9    1 o  393.079   5.5120  1044.02   29.310  982.670   40.063  1114.66   42.991  380.699   7.7657  405.459   7.8244 -24.75922 11.02397 
1 1 1   11    9    2 o  336.451   5.0729  765.514   23.100  726.715   31.726  809.287   33.699  327.402   7.1508  345.500   7.1975 -18.09854 10.14583 
1 1 1   11    9    3 o  496.955   6.3870  1673.61   42.994  1631.36   59.734  1719.03   61.931  490.454   8.9876  503.456   9.0774 -13.00217 12.77402 
1 1 1   11    9    4 o  494.086   6.3612  1653.35   42.561  1734.30   61.470  1578.81   58.988  505.688   8.9701  482.485   9.0219 23.20297 12.72235 
1 1 1   11    9    5 o  326.879   4.9957  722.487   22.099  684.726   30.332  765.211   32.263  317.800   7.0431  335.958   7.0867 -18.15762 9.991307 
1 1 1   11    9    6 o  456.177   6.0239  1408.48   37.200  1350.17   51.203  1473.66   54.135  446.201   8.4681  466.154   8.5698 -19.95316 12.04778 
1 1 1   11    9    7 o  692.959   8.2258  3258.69   77.238  3230.10  108.391  3288.19  110.091  689.875   11.594  696.043   11.672 -6.167725 16.45153 
1 1 1   11    9    8 o  893.125   10.250  5411.14  123.961  5634.88  179.635  5207.75  171.278  910.714   14.556  875.536   14.436 35.17755 20.50019 
1 1 1   11    9    9 o  673.459   9.3479  3012.50   72.130  2955.52   81.998  3207.42  151.658  660.089   9.1669  686.830   16.294 -26.74146 18.69580 
1 1 1   11    9   10 o  413.780   7.0982  1176.04   37.329  1204.49   45.781  1119.58   64.482  421.443   8.0160  406.117   11.717 15.32562 14.19639 
1 1 1   11    9   11 o  715.882   10.444  3489.56   95.271  3502.81  116.508  3462.84  165.511  718.302   11.969  713.463   17.119 4.839111 20.88820 
1 1 1   11    9   12 o  766.313   11.043  3993.75  107.743  3996.26  131.553  3988.62  187.776  767.126   12.655  765.500   18.101 1.625488 22.08627 
1 1 1   11    9   13 o  577.852   10.095  2263.59   78.907  2182.79  107.761  2357.00  115.863  566.789   14.030  588.915   14.518 -22.12640 20.18944 
1 1 1   11    9   14 o  291.582   6.7816  575.952   26.666  568.018   35.870  585.754   39.870  289.358   9.1478  293.805   10.014 -4.446747 13.56321 
1 1 1   11    9   15 o  624.909   10.742  2655.45   90.938  2658.01  127.007  2652.76  130.267  625.247   14.990  624.570   15.391 0.6767578 21.48435 
1 1 1   11    9   16 o  495.998   7.9509  1681.21   50.159  1702.47   61.370  1638.41   87.055  500.932   9.0405  491.065   13.082 9.866882 15.90183 
1 1 1   11    9   17 o  475.778   12.701  1537.94   81.888   0.0000   0.0000  1537.94   81.888  ?   ?   475.778   12.701      ?      ? 
1 1 1   11    9   18 o  523.957   7.7473  1847.33   46.748  1832.49   53.400  1895.98   96.713  519.785   7.5812  528.129   13.513 -8.343628 15.49464 
1 1 1   11    9   19 o  432.730   6.8516  1269.34   34.171  1267.85   39.113  1274.18   70.233  432.391   6.6752  433.070   11.967 -0.6797485 13.70318 
1 1 1   11    9   20 o  344.701   6.3672  792.123   27.253  771.699   32.372  841.818   50.496  337.313   7.0820  352.090   10.583 -14.77689 12.73431 
1 1 1   11    9   21 o  291.889   5.6792  572.577   18.772  568.142   21.289  588.073   39.794  289.480   5.4269  294.298   9.9781 -4.818024 11.35844 
1 1 1   11    9   22 o  251.949   5.3845  416.481   15.241  405.847   17.159  456.233   33.176  244.667   5.1753  259.231   9.4440 -14.56396 10.76908 
1 1 1   11    9   23 o  189.363   5.2286  240.924   11.100  239.114   12.539  247.478   23.864  187.803   4.9270  190.922   9.2237 -3.119522 10.45718 
1 1 1   11    9   24 o  184.336   5.2735  221.133   10.660  214.887   11.887  246.789   24.092  178.031   4.9271  190.640   9.3255 -12.60875 10.54707 
1 1 1   11    9   25 o  241.123   5.3025  391.785   16.469  385.848   20.271  403.312   28.246  238.509   6.2717  243.737   8.5517 -5.228149 10.60494 
1 1 1   11    9   26 o  170.015   5.0123  196.137   11.017  196.153   13.667  196.108   18.615  170.061   5.9306  169.969   8.0820 0.9225464E-01 10.02451 
1 1 1   11    9   27 f  175.356   5.4101  213.267   12.033  195.401   20.644  222.462   14.809  169.614   8.9813  181.098   6.0344 -11.48438 10.82027 
1 1 1   11    9   28 o  205.823   5.4593  293.297   14.360  269.830   24.299  305.892   17.802  199.301   8.9970  212.345   6.1864 -13.04462 10.91868 
1 1 1   11    9   29 o  187.804   5.3352  238.506   12.839  242.306   22.188  236.592   15.743  188.867   8.6692  186.741   6.2211 2.125244 10.67041 
1 1 1   11    9   30 o  293.617   4.7909  585.030   19.056  582.591   26.585  587.607   27.330  292.994   6.6957  294.241   6.8540 -1.247375 9.581765 
1 1 1   11    9   31 o  554.078   9.8578  2087.76   74.017   0.0000   0.0000  2087.76   74.017  ?   ?   554.078   9.8578      ?      ? 
1 1 1   11    9   32 o  372.904   7.6666  944.403   38.742   0.0000   0.0000  944.403   38.742  ?   ?   372.904   7.6666      ?      ? 
1 1 1   11    9   33 o  269.266   4.6751  492.332   17.049  512.129   24.128  472.589   24.095  274.684   6.4819  263.849   6.7388 10.83548 9.350204 
1 1 1   11    9   34 o  321.370   7.1330  701.339   31.064   0.0000   0.0000  701.339   31.064  ?   ?   321.370   7.1330      ?      ? 
1 1 1   11    9   35 o  336.275   7.3061  768.078   33.294   0.0000   0.0000  768.078   33.294  ?   ?   336.275   7.3061      ?      ? 
1 1 1   11    9   36 o  202.258   4.3996  277.125   12.045  265.452   16.565  290.222   17.546  197.750   6.1814  206.766   6.2622 -9.015625 8.799139 
1 1 1   11    9   37 o  150.072   4.3808  152.157   8.8877  140.915   12.092  165.366   13.107  144.073   6.1936  156.072   6.1973 -11.99953 8.761661 
1 1 1   11    9   38 o  169.327   6.3735  194.704   14.583  190.036   19.794  200.247   21.569  167.134   8.7393  171.521   9.2795 -4.387146 12.74692 
1 1 1   11    9   39 o  250.123   5.6161  412.654   17.934  462.974   31.909  389.419   21.682  260.808   9.0283  239.439   6.6824 21.36946 11.23227 
1 1 1   11    9   40 o  153.848   5.3828  163.687   10.803  150.056   17.459  172.144   13.751  148.491   8.6761  159.205   6.3738 -10.71399 10.76569 
1 1 1   11    9   41 o  159.177   6.3918  172.451   13.675  171.902   18.199  173.163   20.724  158.936   8.4496  159.419   9.5930 -0.4827576 12.78369 
1 1 1   11    9   42 o  129.249   5.8651  112.718   9.4082  111.303   11.207  116.096   17.314  127.998   6.4612  130.501   9.7903 -2.503319 11.73019 
1 1 1   11    9   43 o  169.487   6.0485  195.238   13.878  184.230   19.204  207.272   20.080  164.489   8.6152  174.485   8.4921 -9.995422 12.09706 
1 1 1   11    9   44 o  173.123   5.3704  204.712   11.922  206.473   14.692  201.316   20.401  174.331   6.2191  171.915   8.7571 2.416153 10.74077 
1 1 1   11    9   45 o  239.421   6.5920  389.616   21.388   0.0000   0.0000  389.616   21.388  ?   ?   239.421   6.5920      ?      ? 
1 1 1   11    9   46 o  238.040   4.6290  385.094   14.924  383.148   20.737  387.184   21.494  237.428   6.4450  238.651   6.6462 -1.223724 9.258028 
1 1 1   11    9   47 o  127.426   5.5796  105.884   9.1469   96.739   11.093  125.308   16.167  119.269   6.8635  135.583   8.7989 -16.31390 11.15923 
1 1 1   11    9   48 o  225.248   6.4708  345.188   19.723  370.998   28.697  322.082   27.152  233.218   9.0800  217.278   9.2215 15.94063 12.94153 
1 1 1   11    9   49 o   78.846   5.9922   42.372   6.3971   40.073   8.9763   44.744   9.1191   76.664   8.6402   81.028   8.3049 -4.364395 11.98436 
1 1 1   11    9   50 o  177.730   4.5554  214.909   10.965  218.316   15.319  211.330   15.702  179.189   6.3085  176.272   6.5732 2.916504 9.110703 
1 1 1   11    9   51 o  216.003   4.6060  317.596   13.467  335.069   19.050  300.140   19.041  221.970   6.3332  210.037   6.6896 11.93259 9.211966 
1 1 1   11    9   52 o   86.639   5.6658   51.185   6.6500   51.560   9.3118   50.794   9.5001   86.971   7.9010   86.307   8.1227 0.6632996 11.33152 
1 1 1   11    9   53 o  130.384   4.8014  115.902   8.4677  123.481   11.939  108.233   12.011  134.701   6.5409  126.067   7.0307 8.633698 9.602779 
1 1 1   11    9   54 o  104.732   5.3018   75.015   7.3867   57.387   10.201   94.450   10.711   91.690   8.2096  117.774   6.7110 -26.08318 10.60356 
1 1 1   11    9   55 o   87.705   5.7472   52.364   6.8197   49.424   9.3346   55.730   9.9874   85.076   8.0967   90.334   8.1586 -5.258789 11.49431 
1 1 1   11    9   56 o  114.982   5.1496   90.508   7.9907   98.965   11.228   81.827   11.375  120.486   6.8766  109.478   7.6673 11.00870 10.29925 
1 1 1   11    9   57 o  145.025   4.8822  143.506   9.5927  145.502   13.483  141.460   13.651  146.059   6.8119  143.991   6.9959 2.068893 9.764464 
1 1 1   11    9   58 o   92.376   7.0842   59.183   8.3801   57.281   14.300   60.178   10.342   90.994   11.597   93.757   8.1398 -2.763641 14.16846 
1 1 1   11    9   59 o   69.950   10.203   35.257   9.3410   30.829   12.722   40.436   13.760   65.028   14.773   74.872   14.078 -9.844223 20.40658 
1 1 1   11    9   60 o   80.411   7.5804   41.985   7.8215   36.757   9.4181   53.604   14.041   73.029   9.5167   87.794   11.802 -14.76471 15.16073 
1 1 1   11    9   61 o  144.636   6.8521  143.138   13.430   0.0000   0.0000  143.138   13.430  ?   ?   144.636   6.8521      ?      ? 
1 1 1   11    9   62 o  117.151   5.1168   94.131   8.1221   92.813   11.521   95.433   11.452  116.322   7.3089  117.980   7.1628 -1.658417 10.23358 
1 1 1   11    9   63 o   60.479   7.7204   26.385   6.0783   33.317   8.5942   19.448   8.5978   69.383   9.1405   51.574   12.445 17.80937 15.44087 
1 1 1   11    9   64 o   93.117   6.7344   57.723   8.2447   50.474   10.257   70.955   13.859   85.362   8.8671  100.872   10.138 -15.51015 13.46885 
1 1 1   11    9   65 o  135.188   6.0510  126.474   10.571  127.373   17.875  125.990   13.108  135.098   9.7639  135.279   7.1503 -0.1806183 12.10207 
1 1 1   11    9   66 o  101.942   5.5036   71.892   7.6027   72.370   10.810   71.425   10.694  102.273   7.8001  101.612   7.7664 0.6610794 11.00724 
1 1 1   11    9   67 o   71.372   6.6804   35.784   6.4282   31.636   9.0631   39.984   9.1189   67.064   9.9725   75.680   8.8916 -8.615913 13.36086 
1 1 1   11    9   68 o   52.650   8.4450   20.625   5.9224   24.897   8.4812   16.560   8.2739   58.262   11.148   47.038   12.688 11.22446 16.89001 
1 1 1   11    9   69 o   77.298   6.4130   42.091   6.6964   46.000   9.4996   38.229   9.4409   80.999   8.6546   73.598   9.4659 7.400383 12.82599 
1 1 1   11    9   70 o   33.284   8.6302   6.0596   5.4246   10.994   7.6161   0.9794   7.7281   38.926   12.628   27.642   11.766 11.28481 17.26032 
1 1 1   11    9   71 o   35.939   8.8884   8.7496   5.4351   11.187   7.5376   6.1098   7.8444   39.034   12.553   32.845   12.588 6.189785 17.77685 
1 1 1   11    9   72 o   51.209   9.0829   21.959   7.0666   7.3935   11.788   30.131   8.8291   37.666   15.125   64.752   10.062 -27.08656 18.16583 
1 1 1   11    9   73 o   34.277   9.5236   5.4869   6.3521   10.484   10.452   2.5605   7.9985   39.356   14.651   29.199   12.171 10.15676 19.04727 
1 1 1   11    9   74 o   37.261   9.7782   8.8249   6.4146   12.103   10.498   6.8716   8.1034   40.895   14.772   33.627   12.816 7.268864 19.55649 
1 1 1   11    9   75 f   70.929   10.192   39.403   9.6265   30.296   13.097   50.107   14.198   60.559   15.794   81.298   12.887 -20.73930 20.38489 
1 1 1   11    9   76 f   88.818   7.5287   57.785   8.6813   58.772   14.491   57.233   10.842   88.390   12.098   89.246   8.9650 -0.8552933 15.05742 
1 1 1   11    9   77 f   85.295   8.9229   55.326   10.282   49.858   14.171   61.406   14.942   80.583   12.977   90.007   12.250 -9.424187 17.84583 
1 1 1   11    9   78 o   48.835   11.833   18.983   9.3300   14.019   11.899   26.907   15.033   42.608   15.675   55.062   17.729 -12.45423 23.66526 
1 1 1   11    9   79 o   43.753   16.235   15.310   12.814   0.0000   0.0000   15.310   12.814  ?   ?    43.753   16.235      ?      ? 
1 1 1   11    9   80 f   63.905   16.038   35.600   13.867   0.0000   0.0000   35.600   13.867  ?   ?    63.905   16.038      ?      ? 
1 1 1   11    9   81 o   50.505   9.5677   16.675   9.0315  -6.5189   12.242   44.372   13.378   27.877   13.035   73.132   14.009 -45.25591 19.13540 
1 1 1   11    9   82 o   45.324   11.507   18.451   8.9931   18.441   12.624   18.462   12.814   45.329   16.220   45.319   16.328 0.1025009E-01 23.01455 
1 1 1   11    9   83 o   40.456   10.826   11.814   8.8617   1.6769   12.161   23.293   12.940   31.487   14.042   49.426   16.482 -17.93993 21.65253 
1 1 1   11    9   84 o   49.706   11.365   23.463   9.2411   14.431   12.749   33.462   13.414   40.397   15.889   59.015   16.255 -18.61784 22.73055 
1 1 1   11    9   85 o   43.756   11.485   18.639   9.3968   25.690   13.452   11.919   13.132   49.733   16.804   37.778   15.659 11.95504 22.96908 
1 1 1   11    9   86 o   31.484   9.9801   3.5294   8.8330   0.8890   12.319   6.3233   12.672   29.826   13.634   33.142   14.579 -3.316504 19.96021 
1 1 1   11   10    0 o  355.766   5.2581  858.329   25.347  871.446   35.813  845.163   35.880  358.492   7.3719  353.040   7.4998 5.452271 10.51626 
1 1 1   11   10    1 o  347.766   5.2280  819.794   24.633  804.755   34.429  835.568   35.259  344.500   7.3748  351.032   7.4122 -6.531860 10.45602 
1 1 1   11   10    2 o  443.539   7.1998  1343.48   41.389  1305.16   69.034  1364.99   51.714  438.471   11.618  448.607   8.5067 -10.13647 14.39954 
1 1 1   11   10    3 o  487.871   8.9869  1617.28   59.347  1635.21   82.252  1597.81   85.714  490.723   12.369  485.019   13.041 5.703461 17.97373 
1 1 1   11   10    4 o  290.605   6.8912  572.172   26.929  566.425   35.838  579.624   40.812  288.955   9.1523  292.254   10.305 -3.299591 13.78238 
1 1 1   11   10    5 o  531.476   9.5729  1910.14   68.746  2124.90  100.861  1723.81   93.949  559.270   13.308  503.682   13.764 55.58817 19.14580 
1 1 1   11   10    6 f  543.944   9.7096  1996.43   71.235  1872.85   95.279  2153.06  107.266  525.029   13.392  562.859   14.063 -37.82935 19.41918 
1 1 1   11   10    7 o  491.295   6.3853  1637.07   42.504  1678.10   60.646  1597.46   59.589  497.346   8.9983  485.244   9.0619 12.10236 12.77057 
1 1 1   11   10    8 o  484.713   6.3116  1590.40   41.407  1522.16   56.870  1667.40   60.407  473.675   8.8597  495.750   8.9917 -22.07516 12.62317 
1 1 1   11   10    9 o  588.059   7.2549  2347.09   57.809  2340.64   81.170  2353.74   82.351  587.244   10.200  588.874   10.320 -1.630005 14.50977 
1 1 1   11   10   10 o  381.059   6.4870  1006.50   28.479  1026.45   32.769  944.919   57.570  389.090   6.2149  373.029   11.389 16.06082 12.97404 
1 1 1   11   10   11 o  401.449   6.5815  1074.86   30.029  1059.57   34.055  1128.28   63.663  395.306   6.3572  407.591   11.526 -12.28448 13.16302 
1 1 1   11   10   12 o  508.323   7.6154  1730.53   44.300  1710.19   50.418  1799.43   92.780  502.143   7.4093  514.503   13.307 -12.36002 15.23077 
1 1 1   11   10   13 o  269.331   5.6750  493.378   17.080  494.362   19.315  489.850   36.576  270.042   5.2782  268.620   10.048 1.422028 11.34998 
1 1 1   11   10   14 o  397.227   6.5482  1061.78   29.675  1054.05   33.764  1088.00   62.208  394.260   6.3196  400.195   11.471 -5.935120 13.09639 
1 1 1   11   10   15 o  511.453   7.6804  1783.43   45.464  1789.66   52.203  1763.88   92.514  513.635   7.4999  509.270   13.405 4.365387 15.36071 
1 1 1   11   10   16 o  365.070   6.2538  881.685   25.797  863.824   29.146  946.296   55.434  356.915   6.0259  373.225   10.960 -16.30969 12.50763 
1 1 1   11   10   17 o  536.236   7.9561  1976.49   49.687  1998.60   57.334  1909.78   99.581  542.732   7.7955  529.739   13.872 12.99323 15.91213 
1 1 1   11   10   18 o  514.021   7.5220  1792.68   52.396  1792.68   52.396   0.0000   0.0000  514.021   7.5220  ?   ?       ?      ? 
1 1 1   11   10   19 o  474.829   7.1157  1529.61   45.787  1529.61   45.787   0.0000   0.0000  474.829   7.1157  ?   ?       ?      ? 
1 1 1   11   10   20 o  409.950   6.4830  1139.98   36.015  1139.98   36.015   0.0000   0.0000  409.950   6.4830  ?   ?       ?      ? 
1 1 1   11   10   21 o  454.386   7.1131  1402.55   37.290  1402.24   42.716  1403.57   76.452  454.614   6.9338  454.158   12.422 0.4559326 14.22629 
1 1 1   11   10   22 f  191.838   5.3157  244.506   11.390  240.598   12.823  259.126   24.799  188.369   5.0233  195.308   9.3698 -6.939072 10.63137 
1 1 1   11   10   23 f  268.536   5.9417  485.330   19.915  478.670   23.816  500.812   36.312  265.612   6.6166  271.461   9.8710 -5.848694 11.88343 
1 1 1   11   10   24 o  195.574   5.6813  257.992   13.808  255.442   16.473  264.016   25.321  194.041   6.2647  197.108   9.4796 -3.067429 11.36261 
1 1 1   11   10   25 o  176.419   5.7993  218.307   12.645  229.467   15.274  193.998   22.543  183.910   6.1285  168.929   9.8473 14.98120 11.59861 
1 1 1   11   10   26 o  257.644   5.8744  451.329   18.978  452.055   22.867  449.722   34.022  258.099   6.5378  257.190   9.7616 0.9089355 11.74870 
1 1 1   11   10   27 o  199.178   5.3195  267.439   11.914  265.920   13.480  272.859   25.461  198.012   5.0237  200.343   9.3781 -2.330719 10.63894 
1 1 1   11   10   28 o  130.081   5.8747  114.405   9.3009  113.700   10.948  116.234   17.634  129.441   6.2411  130.720   9.9546 -1.279617 11.74931 
1 1 1   11   10   29 o  311.067   4.9293  656.964   20.775  657.969   29.126  655.922   29.643  311.315   6.9039  310.819   7.0376 0.4965515 9.858588 
1 1 1   11   10   30 o  206.925   4.4389  290.847   12.435  304.612   17.542  276.942   17.630  211.860   6.1099  201.990   6.4408 9.869583 8.877758 
1 1 1   11   10   31 o  278.559   4.7537  526.860   17.940  528.344   25.113  525.314   25.637  278.966   6.6430  278.151   6.8016 0.8144226 9.507396 
1 1 1   11   10   32 o  250.191   4.6063  423.162   15.584  391.625   21.273  459.683   22.893  240.172   6.5363  260.209   6.4922 -20.03693 9.212625 
1 1 1   11   10   33 o  203.701   9.4691  282.392   26.139   0.0000   0.0000  282.392   26.139  ?   ?   203.701   9.4691      ?      ? 
1 1 1   11   10   34 o  321.685   7.2799  705.531   31.710  728.589   44.500  681.746   45.196  327.071   10.040  316.298   10.544 10.77274 14.55985 
1 1 1   11   10   35 f  213.657   5.5757  318.865   15.377  280.048   25.114  342.147   19.449  202.847   9.1362  224.467   6.3939 -21.62059 11.15133 
1 1 1   11   10   36 o  280.957   5.7697  533.260   20.943  548.680   35.679  525.154   25.869  283.882   9.2746  278.031   6.8660 5.851074 11.53950 
1 1 1   11   10   37 f  251.675   4.6518  429.676   15.854  413.906   21.932  446.933   22.944  246.848   6.5565  256.503   6.6008 -9.655075 9.303686 
1 1 1   11   10   38 f  338.826   5.1951  780.527   23.850  787.695   33.543  773.197   33.918  340.411   7.2713  337.241   7.4218 3.169861 10.39013 
1 1 1   11   10   39 o  178.832   4.4515  216.517   10.770  202.612   14.755  232.372   15.756  172.706   6.3045  184.957   6.2862 -12.25089 8.903041 
1 1 1   11   10   40 o  232.037   5.7182  354.741   16.447  338.721   19.433  395.188   30.878  223.282   6.4224  240.792   9.4629 -17.51085 11.43645 
1 1 1   11   10   41 o  159.994   5.7538  173.284   11.284  172.017   13.340  176.471   21.152  159.125   6.1866  160.864   9.7032 -1.738907 11.50766 
1 1 1   11   10   42 o  171.431   4.4922  199.039   10.416  189.106   14.206  210.590   15.319  166.826   6.2837  176.037   6.4214 -9.210861 8.984441 
1 1 1   11   10   43 o  146.602   5.4840  148.698   10.277  153.986   12.718  138.749   17.446  150.535   6.2346  142.669   9.0238 7.866287 10.96807 
1 1 1   11   10   44 o  188.968   5.4605  246.658   13.238  254.816   16.432  231.572   22.346  193.634   6.2622  184.302   8.9473 9.332016 10.92105 
1 1 1   11   10   45 o  209.693   4.6083  297.923   13.073  279.456   17.888  319.094   19.152  202.743   6.5107  216.643   6.5237 -13.90057 9.216671 
1 1 1   11   10   46 f  240.613   4.7223  393.767   15.394  395.844   21.579  391.614   21.969  241.270   6.5999  239.956   6.7559 1.313293 9.444653 
1 1 1   11   10   47 o  113.834   9.5169   88.485   14.681   0.0000   0.0000   88.485   14.681  ?   ?   113.834   9.5169      ?      ? 
1 1 1   11   10   48 o  133.833   6.6245  121.971   11.997  129.827   17.514  115.025   16.468  137.881   9.3733  129.784   9.3636 8.096985 13.24902 
1 1 1   11   10   49 o  182.111   4.5812  225.789   11.296  234.107   15.869  217.244   16.083  185.532   6.3115  178.689   6.6418 6.842926 9.162351 
1 1 1   11   10   50 o  143.165   4.7281  139.419   9.1699  134.651   12.816  144.420   13.126  140.655   6.7236  145.675   6.6493 -5.019821 9.456196 
1 1 1   11   10   51 o  118.531   5.0206   95.705   8.0635   93.962   11.385   97.459   11.422  117.443   7.1536  119.618   7.0464 -2.175056 10.04115 
1 1 1   11   10   52 o  221.688   4.6703  334.549   14.029  328.405   19.652  340.933   20.032  219.614   6.6035  223.763   6.6061 -4.149338 9.340619 
1 1 1   11   10   53 o  135.242   4.8336  124.636   8.8579  122.440   12.495  126.854   12.559  134.040   6.8792  136.445   6.7921 -2.404572 9.667265 
1 1 1   11   10   54 o  125.809   5.0085  107.962   8.5387  106.961   12.072  108.964   12.079  125.222   7.1140  126.397   7.0521 -1.174522 10.01705 
1 1 1   11   10   55 o  135.667   5.8986  124.478   10.323  130.837   17.721  121.212   12.701  138.062   9.4720  133.273   7.0323 4.789703 11.79712 
1 1 1   11   10   56 o  105.086   6.8935   76.525   8.9567   77.382   10.711   74.533   16.333  106.400   7.4284  103.772   11.615 2.628639 13.78694 
1 1 1   11   10   57 o  114.962   5.1493   90.423   8.0167   91.878   11.194   88.892   11.486  115.934   7.1254  113.990   7.4356 1.943909 10.29852 
1 1 1   11   10   58 o  178.613   4.7604  218.163   11.512  221.357   16.027  214.757   16.548  180.002   6.5703  177.225   6.8903 2.776459 9.520747 
1 1 1   11   10   59 o  115.685   11.305   93.130   17.723   0.0000   0.0000   93.130   17.723  ?   ?   115.685   11.305      ?      ? 
1 1 1   11   10   60 o   64.754   9.1576   29.713   7.3182   29.153   8.7786   30.990   13.251   64.844   9.9902   64.665   15.351 0.1787415 18.31524 
1 1 1   11   10   61 o   96.563   6.4822   63.047   8.1566   59.359   10.098   69.972   13.837   92.832   8.0267  100.293   10.181 -7.460976 12.96434 
1 1 1   11   10   62 o  137.012   4.9506  129.045   9.1859  132.981   12.913  125.011   13.070  139.170   6.8468  134.854   7.1522 4.315903 9.901162 
1 1 1   11   10   63 o   56.100   8.2139   23.006   6.0390   24.855   8.5018   21.122   8.5796   58.568   11.119   53.632   12.093 4.935589 16.42784 
1 1 1   11   10   64 o  148.621   4.8881  152.094   9.8413  146.639   13.805  157.732   14.033  145.887   6.9829  151.355   6.8419 -5.467484 9.776107 
1 1 1   11   10   65 o   80.324   7.3799   43.073   7.7290   54.883   13.333   37.095   9.4856   87.929   11.189   72.720   9.6256 15.20866 14.75976 
1 1 1   11   10   66 o   65.331   7.3552   30.563   6.3296   26.492   8.7740   34.981   9.1399   60.146   11.176   70.515   9.5648 -10.36974 14.71042 
1 1 1   11   10   67 o   61.350   7.8154   28.005   6.1990   36.512   8.7257   19.335   8.8084   72.100   8.9306   50.599   12.828 21.50075 15.63085 
1 1 1   11   10   68 o   81.110   6.2417   46.317   6.8315   40.991   9.5259   51.957   9.8023   76.166   9.2292   86.053   8.4058 -9.887352 12.48339 
1 1 1   11   10   69 o   54.454   8.3694   22.323   6.0041   20.297   8.4086   24.430   8.5759   51.734   12.193   57.174   11.468 -5.440014 16.73885 
1 1 1   11   10   70 f   34.294   9.5152   6.3955   6.4265   3.6846   10.538   8.0005   8.1087   33.419   13.954   35.168   12.940 -1.749626 19.03032 
1 1 1   11   10   71 o   38.488   9.6675   8.6271   6.3526   16.844   10.584   4.0003   7.9423   46.446   14.868   30.531   12.360 15.91502 19.33497 
1 1 1   11   10   72 o   66.082   8.9088   32.593   7.4475   35.203   12.726   31.233   9.1846   66.572   14.515   65.592   10.333 0.9804535 17.81766 
1 1 1   11   10   73 o   81.541   7.7224   49.197   8.0707   47.510   13.629   50.109   10.016   79.358   12.673   83.724   8.8277 -4.365921 15.44479 
1 1 1   11   10   74 o   50.117   9.6052   21.023   7.0518   12.343   11.187   26.747   9.0841   41.160   15.190   59.075   11.761 -17.91463 19.21046 
1 1 1   11   10   75 o   35.742   14.322   7.2005   10.544   7.2005   10.544   0.0000   0.0000   35.742   14.322  ?   ?       ?      ? 
1 1 1   11   10   76 o   60.028   11.037   29.568   9.1496   22.432   12.146   38.929   13.912   51.551   15.849   68.505   15.364 -16.95350 22.07355 
1 1 1   11   10   77 o   36.464   10.466   6.9316   8.1201   3.0837   10.833   11.867   12.268   32.359   13.856   40.568   15.690 -8.209507 20.93278 
1 1 1   11   10   78 o   29.072   9.1340  -2.5928   7.7440   5.2825   10.207 -13.2750   11.888   33.262   13.798   24.882   11.973 8.380463 18.26810 
1 1 1   11   10   79 o   31.432   9.8587  -0.6861   8.3955  -6.0520   11.071   6.5762   12.879   26.752   12.471   36.111   15.272 -9.359015 19.71740 
1 1 1   11   10   80 o   31.131   13.998  -0.0730   12.353   0.0000   0.0000  -0.0730   12.353  ?   ?    31.131   13.998      ?      ? 
1 1 1   11   10   81 o   24.254   8.2442 -13.8246   8.0331 -23.0782   11.131  -3.7646   11.605   20.425   10.168   28.083   12.980 -7.658083 16.48833 
1 1 1   11   10   82 o   37.968   10.257   5.6262   8.8823 -11.0444   12.111   25.032   13.067   25.231   12.127   50.705   16.546 -25.47417 20.51374 
1 1 1   11   10   83 o   62.161   11.338   38.171   10.276   52.093   14.506   24.144   14.560   76.330   14.555   47.992   17.388 28.33854 22.67530 
1 1 1   11   10   84 f   42.909   16.366   18.851   13.221   18.851   13.221   0.0000   0.0000   42.909   16.366  ?   ?       ?      ? 
1 1 1   11   11    0 o  303.809   4.9713  625.774   20.457  619.792   28.426  632.198   29.461  302.308   6.9389  305.311   7.1208 -3.003204 9.942527 
1 1 1   11   11    1 o  360.954   5.3340  882.221   26.065  850.072   35.894  918.084   37.911  354.013   7.4821  367.896   7.6043 -13.88293 10.66805 
1 1 1   11   11    2 o  143.417   4.5914  139.895   8.8903  145.490   12.216  133.596   12.963  146.480   6.1542  140.354   6.8153 6.126785 9.182766 
1 1 1   11   11    3 o  229.964   4.5622  357.910   14.198  345.927   19.465  371.532   20.754  225.861   6.3595  234.066   6.5430 -8.204269 9.124404 
1 1 1   11   11    4 o  342.922   5.2014  797.855   24.165  809.818   33.962  785.588   34.391  345.531   7.2531  340.312   7.4572 5.218689 10.40281 
1 1 1   11   11    5 f  139.837   4.5959  130.860   8.6473  112.855   11.536  153.954   13.065  129.000   6.5989  150.673   6.3986 -21.67363 9.191713 
1 1 1   11   11    6 o  206.132   4.5245  288.176   12.622  288.638   17.419  287.665   18.315  206.311   6.2305  205.954   6.5625 0.3572083 9.049004 
1 1 1   11   11    7 o  409.815   5.7155  1139.76   31.736  1156.49   44.727  1122.79   45.038  412.852   7.9946  406.779   8.1703 6.073242 11.43096 
1 1 1   11   11    8 o  420.889   5.7977  1202.19   33.061  1207.22   46.350  1196.98   47.172  421.792   8.1089  419.986   8.2884 1.806580 11.59535 
1 1 1   11   11    9 o  213.235   4.5331  307.436   13.069  295.410   17.764  321.622   19.294  208.708   6.2810  217.762   6.5381 -9.054352 9.066277 
1 1 1   11   11   10 o   88.591   5.5104   53.216   6.6153   53.216   6.6153   0.0000   0.0000   88.591   5.5104  ?   ?       ?      ? 
1 1 1   11   11   11 o  250.322   5.1761  424.851   17.558  424.851   17.558   0.0000   0.0000  250.322   5.1761  ?   ?       ?      ? 
1 1 1   11   11   12 o  293.591   5.4750  584.482   21.783  584.482   21.783   0.0000   0.0000  293.591   5.4750  ?   ?       ?      ? 
1 1 1   11   11   13 o  341.580   5.8570  791.281   27.111  791.281   27.111   0.0000   0.0000  341.580   5.8570  ?   ?       ?      ? 
1 1 1   11   11   14 o  272.212   5.8014  519.597   17.792  533.746   20.322  473.139   36.824  280.557   5.3452  263.868   10.298 16.68875 11.60274 
1 1 1   11   11   15 o  379.131   6.4612  980.604   28.088  984.456   32.119  968.086   57.910  380.962   6.2215  377.300   11.326 3.662445 12.92243 
1 1 1   11   11   16 o  363.625   6.3069  893.604   26.174  889.853   29.809  906.231   54.691  362.197   6.0733  365.054   11.055 -2.856598 12.61376 
1 1 1   11   11   17 o  371.955   6.4021  942.774   27.251  945.381   31.127  934.218   56.393  373.313   6.1529  370.598   11.229 2.715302 12.80418 
1 1 1   11   11   18 o  269.494   5.6933  494.108   17.234  494.890   19.527  491.355   36.651  270.134   5.3342  268.853   10.060 1.280701 11.38661 
1 1 1   11   11   19 f  200.515   5.3461  263.032   11.855  256.158   13.266  290.283   26.415  194.354   5.0369  206.675   9.4315 -12.32130 10.69222 
1 1 1   11   11   20 o  292.311   5.7141  558.610   18.734  542.580   21.064  619.275   40.978  282.831   5.4959  301.791   10.020 -18.95993 11.42822 
1 1 1   11   11   21 o  348.889   6.1884  813.415   24.464  802.460   27.716  852.050   52.049  343.919   5.9470  353.858   10.854 -9.938904 12.37674 
1 1 1   11   11   22 o  117.661   5.8580   94.202   7.4372   94.304   8.3056   93.789   16.706  117.914   5.1978  117.408   10.500 0.5065002 11.71596 
1 1 1   11   11   23 o  146.497   5.3456  133.087   8.6382  124.932   9.5895  168.180   19.893  135.715   5.2141  157.278   9.3335 -21.56273 10.69118 
1 1 1   11   11   24 o  211.729   5.4564  303.778   12.898  303.238   14.568  305.738   27.743  211.440   5.0844  212.019   9.6561 -0.5790558 10.91286 
1 1 1   11   11   25 o  138.690   5.4114  125.289   8.3902  121.400   9.4171  140.260   18.477  133.778   5.1946  143.602   9.4947 -9.824341 10.82276 
1 1 1   11   11   26 o  319.071   5.9974  694.607   21.913  696.906   25.041  687.091   45.279  320.474   5.7660  317.668   10.518 2.805328 11.99487 
1 1 1   11   11   27 o  329.190   6.1111  741.011   23.064  744.784   26.382  728.780   47.503  331.280   5.8767  327.101   10.717 4.179138 12.22215 
1 1 1   11   11   28 f  387.967   6.5989  1035.69   29.556  1046.54   33.962  1001.85   60.003  392.626   6.3830  383.308   11.552 9.317902 13.19783 
1 1 1   11   11   29 o  109.591   7.4118   81.901   10.957   82.695   14.842   80.950   16.243  110.206   9.9379  108.977   10.999 1.229156 14.82352 
1 1 1   11   11   30 o  300.399   6.2387  618.886   23.627  627.806   28.694  600.107   41.636  304.014   6.9649  296.784   10.353 7.229736 12.47739 
1 1 1   11   11   31 o  224.979   5.8366  349.483   16.347  358.006   19.703  330.656   29.282  229.616   6.3320  220.341   9.8066 9.275345 11.67320 
1 1 1   11   11   32 o  249.534   5.9270  424.344   18.510  425.629   22.278  421.479   33.264  250.333   6.5671  248.734   9.8687 1.598373 11.85404 
1 1 1   11   11   33 o  216.213   6.4905  317.522   19.017   0.0000   0.0000  317.522   19.017  ?   ?   216.213   6.4905      ?      ? 
1 1 1   11   11   34 o  283.107   6.8751  544.614   26.376   0.0000   0.0000  544.614   26.376  ?   ?   283.107   6.8751      ?      ? 
1 1 1   11   11   35 o  104.594   4.9431   73.945   6.9784   65.356   9.5189   83.925   10.261   98.055   7.1636  111.132   6.8132 -13.07670 9.886189 
1 1 1   11   11   36 o  207.693   6.4684  293.072   18.205   0.0000   0.0000  293.072   18.205  ?   ?   207.693   6.4684      ?      ? 
1 1 1   11   11   37 o  264.595   4.7409  476.009   16.991  491.173   23.962  460.676   24.095  268.850   6.5772  260.340   6.8299 8.509918 9.481882 
1 1 1   11   11   38 o  220.319   4.6510  330.730   13.849  352.954   19.392  307.595   19.785  227.922   6.2784  212.716   6.8637 15.20583 9.302084 
1 1 1   11   11   40 o  328.230   6.5545  722.417   26.568  705.492   31.458  764.528   49.620  322.052   7.2080  334.408   10.949 -12.35678 13.10905 
1 1 1   11   11   41 o  334.723   5.2161  762.541   23.654  774.391   33.252  750.402   33.655  337.376   7.2731  332.070   7.4789 5.305817 10.43227 
1 1 1   11   11   42 o  183.040   4.6234  227.115   11.451  214.352   15.697  241.632   16.741  177.561   6.5237  188.518   6.5532 -10.95758 9.246767 
1 1 1   11   11   43 o  207.346   4.6150  292.082   12.958  286.190   17.918  298.540   18.760  205.165   6.4448  209.527   6.6072 -4.361786 9.229902 
1 1 1   11   11   44 o  211.171   6.6530  303.298   19.039   0.0000   0.0000  303.298   19.039  ?   ?   211.171   6.6530      ?      ? 
1 1 1   11   11   45 o  109.330   5.0466   81.252   7.4720   77.894   10.355   84.901   10.792  106.976   7.1431  111.685   7.1309 -4.708855 10.09323 
1 1 1   11   11   46 o  128.177   6.0173  115.336   9.8657  101.505   16.429  123.137   12.338  121.834   9.9509  134.521   6.7682 -12.68765 12.03450 
1 1 1   11   11   47 o  141.929   5.6417  130.556   10.315  159.199   18.257  117.127   12.501  152.700   8.8230  131.159   7.0334 21.54062 11.28336 
1 1 1   11   11   48 o   83.350   6.1534   47.933   6.7438   34.051   9.3453   63.017   9.7414   70.540   9.7762   96.160   7.4755 -25.61958 12.30684 
1 1 1   11   11   49 o   91.381   5.6865   56.986   7.0388   56.953   9.8085   57.020   10.107   91.364   7.9222   91.399   8.1600 -0.3472137E-01 11.37309 
1 1 1   11   11   50 o  286.883   5.0000  561.007   19.437  566.988   27.444  554.987   27.533  288.430   7.0215  285.337   7.1205 3.092377 10.00010 
1 1 1   11   11   51 o  237.984   9.4105  388.122   30.349  388.122   30.349   0.0000   0.0000  237.984   9.4105  ?   ?       ?      ? 
1 1 1   11   11   52 o  110.979   7.0984   84.319   10.649   93.162   15.545   76.502   14.616  116.470   9.8492  105.488   10.225 10.98174 14.19688 
1 1 1   11   11   53 o   77.357   6.4774   41.932   6.5823   53.285   9.2726   30.400   9.3453   88.276   7.7513   66.437   10.380 21.83832 12.95482 
1 1 1   11   11   54 o  115.311   5.0860   90.995   7.9358   95.616   11.147   86.246   11.300  118.316   6.9524  112.306   7.4251 6.010010 10.17191 
1 1 1   11   11   55 o  127.109   5.0081  110.149   8.5880   96.394   11.824  125.506   12.494  118.690   7.3516  135.528   6.8027 -16.83766 10.01611 
1 1 1   11   11   56 o  127.528   4.9861  111.188   8.6126  107.672   11.960  114.975   12.413  125.439   7.0356  129.618   7.0671 -4.179024 9.972152 
1 1 1   11   11   57 o  123.477   5.8629  103.356   9.3823   99.849   11.589  110.028   15.984  120.729   7.0835  126.225   9.3444 -5.495636 11.72576 
1 1 1   11   11   58 o   54.096   9.3672   21.960   6.6423   23.642   8.2313   18.819   11.246   57.350   10.991   50.841   15.171 6.508648 18.73430 
1 1 1   11   11   59 o   55.616   9.5656   24.033   6.9597   27.094   8.2695   16.599   12.887   62.449   9.7717   48.783   16.447 13.66614 19.13127 
1 1 1   11   11   60 o   71.817   6.5553   35.746   6.3719   33.513   8.7936   38.214   9.2459   69.448   9.3439   74.187   9.1968 -4.739052 13.11068 
1 1 1   11   11   61 o   62.809   7.3230   28.043   5.9704   21.074   8.1831   35.974   8.7304   53.675   11.589   71.943   8.9549 -18.26797 14.64600 
1 1 1   11   11   62 o   95.242   5.6118   62.651   7.2264   57.054   9.9581   68.878   10.503   90.717   8.1003   99.766   7.7687 -9.048958 11.22358 
1 1 1   11   11   63 o   96.345   5.5372   64.360   7.1941   56.258   10.000   73.050   10.357   89.954   8.2038  102.736   7.4390 -12.78184 11.07436 
1 1 1   11   11   64 o   70.374   8.8006   37.623   7.6055   32.261   12.967   40.435   9.3902   64.829   15.050   75.920   9.1272 -11.09150 17.60124 
1 1 1   11   11   65 o   57.697   9.2502   26.806   7.0833   17.377   11.856   32.040   8.8328   48.079   15.764   67.315   9.6829 -19.23561 18.50046 
1 1 1   11   11   66 o   58.867   9.1844   29.456   7.2483   14.182   12.231   37.724   8.9986   44.633   15.966   73.102   9.0837 -28.46888 18.36875 
1 1 1   11   11   67 o   55.805   9.2652   26.270   7.1792   12.914   12.187   33.368   8.8842   43.139   15.865   68.470   9.5750 -25.33045 18.53038 
1 1 1   11   11   68 o   50.117   9.8351   17.615   6.9253   28.868   11.603   11.388   8.6312   60.643   14.344   39.591   13.460 21.05246 19.67027 
1 1 1   11   11   69 o   45.827   9.3822   16.773   6.7961   6.6763   10.669   23.667   8.8161   35.930   14.403   55.723   12.028 -19.79264 18.76447 
1 1 1   11   11   70 o   74.573   7.8315   40.541   7.6898   41.761   12.470   39.792   9.7680   74.814   12.300   74.333   9.6971 0.4807434 15.66308 
1 1 1   11   11   71 o   36.760   9.9517   8.3028   6.7312   10.477   11.103   7.0393   8.4642   39.465   15.011   34.056   13.070 5.408730 19.90341 
1 1 1   11   11   72 o   43.490   10.970   14.483   8.1530   13.853   11.255   15.178   11.826   42.732   15.312   44.247   15.713 -1.515373 21.93971 
1 1 1   11   11   73 o   34.216   9.5671   3.1148   7.6979   14.165   10.318 -10.7586   11.561   42.663   14.711   25.769   12.236 16.89441 19.13426 
1 1 1   11   11   74 o   66.995   10.373   34.682   9.4295   22.836   12.213   52.168   14.838   52.008   15.875   81.983   13.356 -29.97427 20.74615 
1 1 1   11   11   75 o   44.913   15.688   16.485   11.752   16.485   11.752   0.0000   0.0000   44.913   15.688  ?   ?       ?      ? 
1 1 1   11   11   76 o   61.472   15.726   32.503   13.153   32.503   13.153   0.0000   0.0000   61.472   15.726  ?   ?       ?      ? 
1 1 1   11   11   77 o   41.391   10.641   12.575   8.5738   21.727   11.678   1.8723   12.628   49.900   15.573   32.883   14.505 17.01730 21.28196 
1 1 1   11   11   78 o   31.672   9.1763  -3.2656   7.9022   15.181   10.979 -23.0973   11.383   42.442   15.132   20.901   10.385 21.54181 18.35262 
1 1 1   11   11   79 o   33.229   9.9619   2.9494   8.4525  -7.5476   12.318   12.291   11.620   27.182   12.824   39.276   15.248 -12.09419 19.92376 
1 1 1   11   11   80 o   38.845   15.178   12.379   11.570   0.0000   0.0000   12.379   11.570  ?   ?    38.845   15.178      ?      ? 
1 1 1   11   12    0 o  280.983   5.8835  545.534   21.257  568.318   26.512  504.517   35.572  289.435   6.7593  272.532   9.6319 16.90320 11.76703 
1 1 1   11   12    1 o  283.551   5.7885  535.791   20.939  517.245   25.404  575.081   36.976  276.120   6.7893  290.982   9.3772 -14.86212 11.57702 
1 1 1   11   12    2 o  252.025   4.7693  430.578   16.251  426.189   22.190  435.656   23.866  250.650   6.5329  253.399   6.9502 -2.749039 9.538548 
1 1 1   11   12    3 o  292.121   4.9224  579.339   19.474  593.126   27.283  565.020   27.804  295.674   6.8091  288.567   7.1102 7.107361 9.844748 
1 1 1   11   12    4 o  255.516   4.7512  441.706   16.419  424.405   22.377  461.880   24.164  250.117   6.6021  260.914   6.8342 -10.79739 9.502322 
1 1 1   11   12    5 o  401.547   5.6819  1092.67   30.885  1054.88   42.490  1134.99   44.971  394.207   7.9538  408.887   8.1161 -14.67941 11.36376 
1 1 1   11   12    6 o  353.287   5.3218  847.334   25.468  856.160   35.624  838.108   36.423  355.179   7.4013  351.395   7.6489 3.783905 10.64353 
1 1 1   11   12    7 o  230.375   4.6350  360.585   14.448  372.581   20.107  347.780   20.774  234.352   6.3312  226.398   6.7712 7.954330 9.270057 
1 1 1   11   12    8 o  209.518   4.5758  298.530   12.959  311.501   17.964  284.456   18.712  214.286   6.1863  204.750   6.7440 9.536423 9.151658 
1 1 1   11   12    9 o  177.441   4.5481  213.393   10.900  210.966   14.787  216.282   16.130  176.345   6.1880  178.536   6.6671 -2.190536 9.096193 
1 1 1   11   12   10 o  188.646   5.9526  246.848   13.631  253.692   16.160  229.963   25.381  193.378   6.1665  183.915   10.184 9.463440 11.90515 
1 1 1   11   12   11 o  410.101   6.7674  1141.60   31.759  1140.32   36.241  1145.81   65.930  409.946   6.5237  410.255   11.859 -0.3091125 13.53487 
1 1 1   11   12   12 o  253.579   5.6554  433.026   16.001  430.289   18.048  443.078   34.590  251.880   5.2874  255.278   9.9990 -3.398285 11.31090 
1 1 1   11   12   13 o  117.056   6.4575   99.626   7.7301  103.433   8.5853   83.323   17.767  123.495   5.1300  110.617   11.852 12.87794 12.91504 
1 1 1   11   12   14 o  289.488   5.8579  565.918   19.046  563.312   21.547  575.230   40.729  288.175   5.5175  290.801   10.335 -2.626678 11.71582 
1 1 1   11   12   15 o  289.460   5.7947  553.247   18.738  541.538   21.072  597.493   40.963  282.547   5.5035  296.374   10.199 -13.82700 11.58944 
1 1 1   11   12   16 o  119.982   5.9822   95.323   7.6448   93.836   8.4681  101.876   17.773  117.617   5.3129  122.347   10.720 -4.729797 11.96438 
1 1 1   11   12   17 o  268.413   5.7545  495.033   17.359  499.546   19.713  479.444   36.636  271.370   5.3604  265.457   10.184 5.913513 11.50898 
1 1 1   11   12   18 o  208.665   5.5487  298.580   12.838  300.699   14.495  290.870   27.646  210.552   5.0802  206.778   9.8663 3.774155 11.09739 
1 1 1   11   12   19 o  137.490   5.7145  125.504   8.5145  123.608   9.4851  133.372   19.322  134.989   5.1851  139.991   10.185 -5.002243 11.42890 
1 1 1   11   12   20 o  303.775   6.0290  642.914   20.834  656.775   23.855  598.345   42.774  311.120   5.6580  296.430   10.648 14.68936 12.05810 
1 1 1   11   12   21 o  314.615   6.0740  686.389   21.806  698.395   24.973  647.861   44.738  320.811   5.7444  308.419   10.704 12.39264 12.14807 
1 1 1   11   12   22 o  166.985   5.4658  180.672   10.067  174.727   11.239  204.814   22.647  160.484   5.1677  173.485   9.6330 -13.00113 10.93159 
1 1 1   11   12   23 o  211.251   5.5745  308.582   13.140  312.762   14.898  293.937   27.887  214.712   5.1202  207.790   9.9037 6.922058 11.14896 
1 1 1   11   12   24 o  161.337   9.6569  177.189   21.113   0.0000   0.0000  177.189   21.113  ?   ?   161.337   9.6569      ?      ? 
1 1 1   11   12   25 o  106.390   11.061   77.177   15.947   0.0000   0.0000   77.177   15.947  ?   ?   106.390   11.061      ?      ? 
1 1 1   11   12   26 o  115.050   6.4064   91.021   8.8996   92.191   10.475   87.986   16.873  116.509   6.6347  113.590   10.961 2.918312 12.81280 
1 1 1   11   12   27 o  145.510   5.7104  147.027   9.2248  149.390   10.446  138.655   19.660  148.375   5.1953  142.644   10.171 5.731400 11.42071 
1 1 1   11   12   28 o  155.275   5.6255  163.449   9.7299  163.068   10.980  164.844   21.000  155.014   5.2268  155.536   9.9633 -0.5224304 11.25104 
1 1 1   11   12   29 f  179.562   5.7253  226.513   11.446  232.303   13.009  206.667   24.084  185.014   5.1887  174.111   10.208 10.90376 11.45059 
1 1 1   11   12   30 o  352.382   6.2394  819.702   24.998  799.132   28.289  893.011   53.403  343.037   6.0854  361.727   10.894 -18.68979 12.47877 
1 1 1   11   12   31 o  276.636   5.8119  512.946   18.234  506.629   20.674  535.080   38.695  273.175   5.5846  280.098   10.194 -6.923340 11.62379 
1 1 1   11   12   32 o  132.243   6.1123  125.023   8.8535  129.594   10.035  108.968   18.808  138.168   5.3595  126.318   10.987 11.84983 12.22463 
1 1 1   11   12   33 o  129.497   5.7264  101.077   8.2269   92.663   9.1188  137.881   19.072  116.813   5.7606  142.181   9.8986 -25.36817 11.45280 
1 1 1   11   12   34 o   79.834   6.7636   43.323   7.3173   43.323   7.3173   0.0000   0.0000   79.834   6.7636  ?   ?       ?      ? 
1 1 1   11   12   35 o  164.610   5.2805  183.968   11.779  183.968   11.779   0.0000   0.0000  164.610   5.2805  ?   ?       ?      ? 
1 1 1   11   12   36 o  175.098   5.8448  207.273   12.613  205.163   14.958  212.465   23.463  173.748   6.3529  176.447   9.8126 -2.698792 11.68956 
1 1 1   11   12   37 o  130.994   6.2087  115.050   9.9426  112.616   11.697  121.390   18.876  128.698   6.7067  133.290   10.451 -4.591812 12.41747 
1 1 1   11   12   38 o   57.933   9.7677   22.149   6.9071   19.846   8.0609   28.512   13.398   52.830   11.579   63.035   15.734 -10.20482 19.53541 
1 1 1   11   12   39 o  206.091   4.6315  288.972   12.923  303.152   18.276  274.793   18.276  211.169   6.3867  201.014   6.7091 10.15443 9.262949 
1 1 1   11   12   40 f  265.655   4.8387  480.108   17.402  508.812   24.776  452.161   24.447  273.516   6.6844  257.794   6.9980 15.72250 9.677442 
1 1 1   11   12   41 o  192.713   4.5905  252.086   11.977  240.372   16.522  265.058   17.387  188.005   6.4849  197.421   6.4991 -9.416656 9.181071 
1 1 1   11   12   42 o  195.133   4.6020  258.865   12.165  254.712   16.923  263.305   17.498  193.521   6.4530  196.746   6.5630 -3.224503 9.204039 
1 1 1   11   12   43 o  168.727   4.6366  193.714   10.595  194.572   14.741  192.797   15.238  169.127   6.4318  168.328   6.6800 0.7987671 9.273154 
1 1 1   11   12   44 o  176.968   4.6194  212.799   11.070  203.089   15.338  223.355   15.993  172.758   6.5516  181.178   6.5140 -8.419464 9.238773 
1 1 1   11   12   45 o  145.423   5.7603  139.949   10.831  158.630   18.792  130.656   13.254  152.345   9.1025  138.500   7.0617 13.84473 11.52055 
1 1 1   11   12   46 o  129.415   6.2551  119.564   10.213   99.223   17.144  130.754   12.716  120.269   10.519  138.560   6.7720 -18.29069 12.51027 
1 1 1   11   12   47 o  141.754   5.9370  140.135   10.815  127.896   18.034  147.010   13.516  136.614   9.7414  146.893   6.7897 -10.27841 11.87409 
1 1 1   11   12   48 o  255.717   5.9387  452.406   19.574  429.341   32.802  465.163   24.394  250.218   9.6738  261.216   6.8913 -10.99779 11.87739 
1 1 1   11   12   49 o  227.445   4.7694  352.816   14.697  357.504   20.662  348.015   20.910  228.993   6.6583  225.897   6.8306 3.096115 9.538886 
1 1 1   11   12   50 o  234.241   4.7772  373.500   15.145  350.084   20.893  399.428   21.986  226.510   6.8068  241.972   6.7049 -15.46225 9.554477 
1 1 1   11   12   51 o  155.029   4.8235  164.195   10.126  170.787   14.288  157.544   14.353  158.184   6.6654  151.875   6.9739 6.309082 9.646921 
1 1 1   11   12   52 o  175.544   4.7234  210.593   11.230  216.421   15.776  204.606   15.989  178.037   6.5388  173.051   6.8181 4.985718 9.446812 
1 1 1   11   12   53 o   78.682   6.3534   42.780   6.7381   47.513   9.4910   37.970   9.5678   83.162   8.4218   74.203   9.5150 8.959427 12.70672 
1 1 1   11   12   54 o  120.589   5.9049   97.466   9.3211   90.786   11.590  109.698   15.684  115.074   7.4324  126.105   9.1778 -11.03159 11.80982 
1 1 1   11   12   55 o   97.444   6.6434   62.400   8.4612   78.346   14.487   54.144   10.424  106.276   10.059   88.612   8.6808 17.66431 13.28681 
1 1 1   11   12   56 o  145.986   5.9223  152.273   11.135  167.899   14.205  127.369   17.933  156.516   6.6972  135.455   9.7694 21.06120 11.84461 
1 1 1   11   12   57 o   37.179   8.9978   8.8432   5.6053   5.4091   7.9309   12.271   7.9233   32.859   12.642   41.499   12.807 -8.640644 17.99552 
1 1 1   11   12   58 o  139.572   6.2087  135.597   10.818  136.366   13.018  133.881   19.446  140.857   6.8199  138.286   10.377 2.571442 12.41733 
1 1 1   11   12   59 o   65.596   9.3386   33.080   7.3884   35.510   8.8053   27.299   13.582   71.400   9.1004   59.793   16.310 11.60781 18.67725 
1 1 1   11   12   60 o   64.825   7.3258   30.144   6.0698   20.461   8.2999   41.276   8.8995   52.629   11.915   77.021   8.5265 -24.39173 14.65154 
1 1 1   11   12   61 o   51.197   8.3619   19.313   5.7022   16.152   7.8133   22.915   8.3406   46.588   12.223   55.805   11.414 -9.217506 16.72380 
1 1 1   11   12   62 o   71.283   6.5837   35.694   6.3458   32.573   8.8096   39.060   9.1486   67.976   9.5635   74.589   9.0510 -6.613052 13.16743 
1 1 1   11   12   63 o   65.707   8.8184   30.961   7.2435   34.913   12.792   29.096   8.7883   67.446   14.432   63.968   10.138 3.477287 17.63678 
1 1 1   11   12   64 o   93.101   8.2190   60.805   10.369   0.0000   0.0000   60.805   10.369  ?   ?    93.101   8.2190      ?      ? 
1 1 1   11   12   65 o   31.907   12.530   5.2041   7.9174   0.0000   0.0000   5.2041   7.9174  ?   ?    31.907   12.530      ?      ? 
1 1 1   11   12   66 f   79.814   7.5506   42.847   7.8335   58.985   13.651   34.924   9.5650   89.960   11.198   69.668   10.131 20.29219 15.10111 
1 1 1   11   12   67 o   67.418   8.8944   34.472   7.5317   34.022   12.788   34.711   9.3196   65.412   14.775   69.424   9.9062 -4.011604 17.78873 
1 1 1   11   12   68 o   85.739   7.5115   54.774   8.3183   48.931   13.505   58.345   10.559   80.926   12.315   90.553   8.6049 -9.626999 15.02308 
1 1 1   11   12   69 f   47.315   9.8414   14.837   7.9358   1.2726   10.618   32.002   11.945   31.309   13.564   63.322   14.263 -32.01352 19.68280 
1 1 1   11   12   70 o   41.932   10.542   11.591   7.9306   4.2976   10.567   20.998   12.001   33.425   13.966   50.439   15.794 -17.01402 21.08356 
1 1 1   11   12   71 o   79.092   9.4766   50.140   9.5686   59.495   12.921   38.780   14.239   89.832   10.614   68.352   15.702 21.48005 18.95327 
1 1 1   11   12   72 o   33.993   10.150   4.3032   7.9381   3.4483   10.445   5.4721   12.214   32.391   13.729   35.595   14.953 -3.203873 20.30008 
1 1 1   11   12   73 o   54.755   11.344   25.899   8.9771   27.301   12.185   24.236   13.276   56.749   15.436   52.761   16.627 3.988014 22.68746 
1 1 1   11   12   74 f   62.908   9.7460   31.257   9.4776   8.1753   12.757   59.690   14.159   37.543   15.487   88.273   11.836 -50.73001 19.49194 
1 1 1   11   12   75 o   35.329   14.639   6.8406   11.471   6.8406   11.471   0.0000   0.0000   35.329   14.639  ?   ?       ?      ? 
1 1 1   11   12   76 o   36.007   10.551   7.7081   8.4438   8.8082   11.679   6.5031   12.223   36.714   14.942   35.299   14.901 1.415245 21.10223 
1 1 1   11   12   77 o   29.996   13.518  -0.3284   11.596  -0.3284   11.596   0.0000   0.0000   29.996   13.518  ?   ?       ?      ? 
1 1 1   11   13    0 o  276.833   4.8816  520.657   18.296  537.253   25.619  503.382   26.138  281.353   6.7194  272.314   7.0831 9.038696 9.763246 
1 1 1   11   13    1 o  216.731   4.6494  316.805   13.611  293.499   18.379  345.114   20.255  207.961   6.5216  225.501   6.6284 -17.53989 9.298732 
1 1 1   11   13    2 o  147.143   6.1279  149.394   11.392  140.698   19.841  153.671   13.915  143.821   10.180  150.466   6.8242 -6.645645 12.25580 
1 1 1   11   13    3 o  289.497   6.2239  574.329   23.081  554.635   39.397  584.621   28.480  285.543   10.181  293.452   7.1617 -7.908966 12.44789 
1 1 1   11   13    4 o  364.795   6.7735  905.884   31.610  901.767   54.526  907.968   38.795  363.956   11.055  365.633   7.8297 -1.677185 13.54705 
1 1 1   11   13    5 o  259.032   5.9939  453.049   19.835  464.466   34.560  447.441   24.222  261.332   9.7587  256.732   6.9622 4.600098 11.98771 
1 1 1   11   13    6 o  100.413   5.3257   68.492   7.1924   68.633   9.6066   68.312   10.850  100.545   7.0506  100.282   7.9839 0.2630081 10.65147 
1 1 1   11   13    7 o  132.502   4.8355  120.064   8.6098  128.184   11.709  110.507   12.704  137.434   6.2872  127.569   7.3485 9.864708 9.671033 
1 1 1   11   13    8 o  105.536   5.1313   74.649   7.2803   68.186   9.5857   83.460   11.192  100.214   7.0585  110.859   7.4498 -10.64489 10.26263 
1 1 1   11   13    9 o  127.556   4.8494  109.304   8.3342   99.778   11.086  121.686   12.639  121.235   6.7478  133.877   6.9666 -12.64146 9.698755 
1 1 1   11   13   10 o  193.288   4.5957  252.657   12.006  241.343   16.278  266.152   17.779  188.567   6.3704  198.008   6.6258 -9.441223 9.191441 
1 1 1   11   13   11 o  275.510   5.7712  495.418   17.655  481.066   19.775  551.805   39.197  266.283   5.4801  284.738   10.158 -18.45529 11.54240 
1 1 1   11   13   12 f  321.695   6.1689  711.747   22.485  718.654   25.622  688.606   46.897  325.431   5.8099  317.959   10.884 7.471863 12.33772 
1 1 1   11   13   13 o  185.927   5.6716  235.683   11.503  236.217   12.898  233.606   25.435  186.605   5.1004  185.250   10.132 1.355347 11.34323 
1 1 1   11   13   14 o  281.814   5.9241  548.509   18.831  555.693   21.438  524.243   39.401  286.176   5.5280  277.451   10.480 8.725128 11.84821 
1 1 1   11   13   15 o  233.833   5.8519  387.355   15.193  400.005   17.284  344.353   31.868  242.813   5.2529  224.854   10.459 17.95912 11.70372 
1 1 1   11   13   16 o  237.411   5.5979  367.465   14.731  356.583   16.487  410.550   32.806  229.248   5.3071  245.574   9.8579 -16.32530 11.19573 
1 1 1   11   13   17 o  249.740   5.9968  422.892   18.326  421.273   21.659  426.971   34.382  249.092   6.4165  250.387   10.133 -1.295670 11.99360 
1 1 1   11   13   18 o  241.827   5.9562  402.698   17.696  409.850   21.089  385.679   32.533  245.691   6.3341  237.962   10.089 7.729645 11.91232 
1 1 1   11   13   19 o  241.097   9.9801  395.918   32.607   0.0000   0.0000  395.918   32.607  ?   ?   241.097   9.9801      ?      ? 
1 1 1   11   13   20 o  157.588   7.0818  167.382   15.023  143.506   20.197  196.953   22.477  145.119   10.270  170.056   9.7536 -24.93658 14.16364 
1 1 1   11   13   21 o  182.593   5.6730  232.769   11.406  237.331   12.890  216.308   24.487  187.020   5.0860  178.165   10.142 8.855103 11.34595 
1 1 1   11   13   22 o  176.187   5.7266  217.474   11.082  222.232   12.520  200.260   23.814  180.969   5.1051  171.404   10.252 9.564575 11.45311 
1 1 1   11   13   23 o  173.923   5.7951  218.172   11.038  227.881   12.538  184.730   23.270  183.254   5.0488  164.592   10.433 18.66141 11.59015 
1 1 1   11   13   24 o   71.873   8.0802   36.172   6.1147   36.363   6.8572   35.431   13.511   73.152   6.9173   70.594   14.605 2.558182 16.16031 
1 1 1   11   13   25 o   75.812   8.5300   47.934   6.4056   53.546   7.2596   28.205   13.612   88.797   6.0330   62.827   15.958 25.97001 17.06003 
1 1 1   11   13   26 o  147.254   5.6190  143.362   9.2287  140.325   10.373  154.898   20.215  143.780   5.3236  150.727   9.8970 -6.947083 11.23800 
1 1 1   11   13   27 f  139.110   6.0753  139.856   9.2122  146.076   10.448  118.133   19.525  146.696   5.2558  131.523   10.955 15.17313 12.15056 
1 1 1   11   13   28 o  239.453   5.3732  389.262   17.436  389.262   17.436   0.0000   0.0000  239.453   5.3732  ?   ?       ?      ? 
1 1 1   11   13   29 o  136.832   5.4775  127.127   10.157  127.127   10.157   0.0000   0.0000  136.832   5.4775  ?   ?       ?      ? 
1 1 1   11   13   30 o   85.647   7.2185   46.988   6.7177   45.062   7.4496   55.370   15.542   81.418   6.7519   89.875   12.761 -8.457054 14.43707 
1 1 1   11   13   31 o   79.917   7.2898   41.972   6.5930   40.696   7.4390   46.644   14.235   77.356   7.0965   82.478   12.736 -5.122032 14.57950 
1 1 1   11   13   32 o   84.979   7.3401   45.481   7.7284   40.520   9.0331   59.030   14.928   77.114   8.6442   92.844   11.865 -15.72992 14.68010 
1 1 1   11   13   33 o   87.233   7.5967   50.365   8.0095   48.464   9.3221   55.724   15.654   84.354   8.1550   90.111   12.819 -5.756416 15.19332 
1 1 1   11   13   34 o  185.130   5.9785  228.272   13.601  221.351   16.023  246.117   25.728  180.433   6.5530  189.827   10.001 -9.393219 11.95706 
1 1 1   11   13   35 o  171.146   6.2428  208.190   13.030  220.777   15.646  179.700   23.538  180.204   6.4068  162.087   10.716 18.11757 12.48550 
1 1 1   11   13   36 o   76.881   8.2485   39.977   6.9505   39.048   7.8602   43.308   14.883   75.726   7.6597   78.037   14.611 -2.311729 16.49706 
1 1 1   11   13   37 o  140.583   5.7431  121.708   9.2203  111.915   10.342  159.632   20.353  128.320   5.9476  152.845   9.8263 -24.52522 11.48612 
1 1 1   11   13   38 o  188.843   6.0018  244.692   14.043  246.926   16.800  239.513   25.583  190.535   6.5064  187.151   10.087 3.383850 12.00362 
1 1 1   11   13   39 o  123.602   6.1677  102.406   8.6714  100.884   9.8392  107.701   18.351  121.817   5.9603  125.387   10.800 -3.570183 12.33533 
1 1 1   11   13   40 o   77.074   8.1674   38.254   7.8156   34.873   9.1773   47.178   14.911   71.425   9.4817   82.724   13.301 -11.29903 16.33474 
1 1 1   11   13   41 o  190.514   4.6427  247.090   11.983  252.350   16.892  241.761   17.002  192.567   6.4731  188.460   6.6571 4.107132 9.285385 
1 1 1   11   13   42 o  122.032   5.0899  101.553   8.4103   98.878   12.032  104.107   11.760  120.443   7.3719  123.621   7.0201 -3.178040 10.17975 
1 1 1   11   13   43 o  210.997   6.7018  303.232   19.162   0.0000   0.0000  303.232   19.162  ?   ?   210.997   6.7018      ?      ? 
1 1 1   11   13   44 o  176.625   6.6341  212.535   15.879   0.0000   0.0000  212.535   15.879  ?   ?   176.625   6.6341      ?      ? 
1 1 1   11   13   45 o  221.148   4.7340  333.284   14.185  329.163   19.846  337.588   20.282  219.757   6.6642  222.539   6.7255 -2.782394 9.467987 
1 1 1   11   13   46 o  179.544   4.7219  219.839   11.488  221.356   16.212  218.309   16.282  180.173   6.6398  178.915   6.7155 1.257339 9.443765 
1 1 1   11   13   47 o  113.744   5.1588   88.421   7.9448   83.894   11.201   93.003   11.270  110.792   7.4608  116.696   7.1267 -5.903824 10.31758 
1 1 1   11   13   48 o  161.798   4.7680  178.693   10.453  175.893   14.629  181.614   14.940  160.506   6.7259  163.089   6.7600 -2.583054 9.535990 
1 1 1   11   13   49 o   72.130   6.5872   35.868   6.4273   37.987   9.0401   33.703   9.1398   74.328   8.9751   69.933   9.6444 4.395599 13.17447 
1 1 1   11   13   50 o  117.140   6.0755   94.594   9.2448   95.245   11.564   93.441   15.390  117.948   7.2348  116.333   9.7623 1.615074 12.15092 
1 1 1   11   13   51 o  125.155   5.1145  106.743   8.5936   87.929   11.717  128.649   12.642  113.203   7.6376  137.106   6.8045 -23.90269 10.22905 
1 1 1   11   13   52 o   85.427   5.8269   50.290   6.7384   51.870   9.4209   48.635   9.6421   86.840   8.0055   84.014   8.4691 2.826202 11.65388 
1 1 1   11   13   53 o   62.654   7.2747   27.875   5.9332   21.779   8.2641   34.358   8.5234   54.818   11.492   70.491   8.9227 -15.67359 14.54937 
1 1 1   11   13   54 o   96.370   5.4596   63.972   7.1294   63.172   10.016   64.794   10.151   95.760   7.7183   96.980   7.7237 -1.220741 10.91914 
1 1 1   11   13   55 o   48.341   8.6195   17.176   5.6570   15.640   7.9901   18.720   8.0104   46.162   12.476   50.521   11.897 -4.359024 17.23908 
1 1 1   11   13   56 o   31.642   8.5501   5.2128   5.1091   5.3511   7.2280   5.0747   7.2227   31.809   12.109   31.475   12.075 0.3338470 17.10012 
1 1 1   11   13   57 o   50.308   9.9061   19.355   6.7663   20.717   8.1028   16.215   12.299   53.073   11.591   47.543   16.068 5.529732 19.81216 
1 1 1   11   13   58 o   90.041   7.1048   51.771   8.1470   42.430   9.7006   74.133   15.009   77.837   9.1966  102.245   10.832 -24.40753 14.20963 
1 1 1   11   13   59 o   39.758   9.9682   10.536   6.5483   10.846   10.924   10.362   8.1810   40.917   15.025   38.599   13.104 2.317356 19.93641 
1 1 1   11   13   60 o   81.136   8.7793   48.535   9.3558   42.397   13.291   54.562   13.172   75.041   13.570   87.231   11.143 -12.19063 17.55857 
1 1 1   11   13   61 o   42.056   9.1144   13.286   6.7050  -0.8318   11.326   20.903   8.3194   31.369   13.791   52.743   11.920 -21.37353 18.22876 
1 1 1   11   13   62 o   82.234   7.5800   49.492   8.0001   45.916   13.345   51.497   9.9953   79.018   12.463   85.449   8.6319 -6.430389 15.16006 
1 1 1   11   13   63 o   80.886   8.9561   46.421   9.8169   0.0000   0.0000   46.421   9.8169  ?   ?    80.886   8.9561      ?      ? 
1 1 1   11   13   64 o   79.256   9.1605   44.795   9.8386   0.0000   0.0000   44.795   9.8386  ?   ?    79.256   9.1605      ?      ? 
1 1 1   11   13   65 o   46.839   10.930   17.126   8.0819   14.621   11.114   19.937   11.774   43.887   15.260   49.791   15.653 -5.904091 21.86055 
1 1 1   11   13   66 o   42.329   10.512   12.026   7.9338   4.4837   10.799   20.872   11.695   33.990   14.153   50.668   15.547 -16.67825 21.02443 
1 1 1   11   13   67 f   67.628   9.9085   35.443   8.9779   24.173   12.060   49.454   13.447   54.125   15.592   81.130   12.231 -27.00426 19.81692 
1 1 1   11   13   68 o   52.998   10.161   21.127   8.2093   9.0592   10.873   37.130   12.521   37.745   14.723   68.250   14.007 -30.50500 20.32136 
1 1 1   11   13   69 o   38.386   10.347   9.9437   7.6420   13.167   10.118   5.6622   11.660   41.412   14.551   35.359   14.714 6.052689 20.69382 
1 1 1   11   13   70 o   41.627   10.494   10.583   8.0220   1.7969   10.452   23.177   12.513   31.120   13.470   52.134   16.096 -21.01340 20.98898 
1 1 1   11   13   71 o   47.793   10.245   15.379   8.4617   1.3126   11.131   34.636   13.024   31.382   13.737   64.204   15.204 -32.82187 20.49083 
1 1 1   11   13   72 o   42.953   11.046   15.019   8.3440   16.271   11.163   13.433   12.561   44.231   15.299   41.674   15.939 2.557003 22.09258 
1 1 1   11   13   73 o   20.914   10.201 -14.2006   9.4206 -14.2006   9.4206   0.0000   0.0000   20.914   10.201  ?   ?       ?      ? 
1 1 1   11   14    0 o  149.025   4.7770  150.044   9.6138  142.149   12.956  159.715   14.340  144.692   6.6078  153.357   6.9004 -8.665039 9.554011 
1 1 1   11   14    1 o  187.055   4.6904  238.440   11.846  254.971   16.486  220.792   17.033  193.803   6.2773  180.306   6.9711 13.49638 9.380891 
1 1 1   11   14    2 o  123.882   5.0348  102.596   8.3840   88.442   11.108  121.333   12.781  114.107   7.1836  133.657   7.0563 -19.55015 10.06953 
1 1 1   11   14    3 o  177.185   4.7340  214.570   11.291  236.081   15.688  191.447   16.264  186.486   6.2076  167.883   7.1490 18.60287 9.467998 
1 1 1   11   14    4 o  178.978   4.7177  217.612   11.407  218.700   15.553  216.346   16.780  179.478   6.3946  178.478   6.9379 1.000183 9.435367 
1 1 1   11   14    5 o  324.914   5.2108  715.991   22.912  694.920   31.423  739.908   33.478  319.833   7.2501  329.995   7.4863 -10.16193 10.42156 
1 1 1   11   14    6 o  285.613   5.0035  553.391   19.339  541.220   26.538  567.172   28.239  282.283   6.9375  288.943   7.2119 -6.660248 10.00706 
1 1 1   11   14    7 o  239.296   4.8068  388.346   15.564  379.304   21.333  398.634   22.756  236.334   6.6611  242.258   6.9317 -5.924454 9.613514 
1 1 1   11   14    8 o   90.776   6.5834   56.855   7.9839   49.605   11.812   62.955   10.834   85.332   10.214   96.219   8.3087 -10.88679 13.16689 
1 1 1   11   14    9 o  205.467   5.6159  293.030   15.203  257.066   23.600  318.545   19.878  194.371   8.9597  216.564   6.7733 -22.19293 11.23182 
1 1 1   11   14   10 f  205.452   5.7025  293.586   15.425  254.041   23.872  321.934   20.212  193.202   9.1178  217.702   6.8511 -24.49960 11.40494 
1 1 1   11   14   11 o  268.678   6.1821  480.646   20.257  467.627   23.759  515.300   38.764  262.389   6.6819  274.966   10.403 -12.57623 12.36424 
1 1 1   11   14   12 o  250.241   6.2002  423.234   19.120  419.258   22.677  433.013   35.561  248.439   6.7357  252.043   10.412 -3.603943 12.40045 
1 1 1   11   14   13 o  208.452   6.0260  293.022   15.443  289.499   18.274  301.824   28.885  206.455   6.5318  210.449   10.129 -3.994415 12.05205 
1 1 1   11   14   14 o  119.387   7.7100   96.789   12.439   91.489   16.836  103.159   18.458  115.818   10.727  122.956   11.077 -7.138237 15.42004 
1 1 1   11   14   15 o  218.125   6.0553  324.028   16.409  324.429   19.628  323.097   29.904  218.537   6.6278  217.713   10.136 0.8235931 12.11060 
1 1 1   11   14   16 o  290.098   6.3440  572.323   22.858  571.354   27.317  574.584   41.745  289.967   6.9520  290.228   10.614 -0.2611694 12.68808 
1 1 1   11   14   17 o  228.321   6.1933  363.975   17.355  377.408   20.780  332.994   31.559  235.704   6.5057  220.938   10.541 14.76601 12.38661 
1 1 1   11   14   18 o  103.310   7.1135   69.613   8.8229   66.225   10.204   79.651   17.564   98.684   7.6301  107.937   12.008 -9.253471 14.22692 
1 1 1   11   14   19 o  259.750   6.2450  466.141   20.135  476.681   24.206  442.467   36.277  264.854   6.7443  254.645   10.513 10.20912 12.49008 
1 1 1   11   14   20 o  259.159   6.2084  463.471   19.994  473.120   24.046  441.852   35.993  263.857   6.7249  254.461   10.438 9.395676 12.41674 
1 1 1   11   14   21 o  169.174   6.3934  192.995   12.806  190.930   14.821  199.080   25.442  167.627   6.5244  170.721   10.997 -3.094910 12.78682 
1 1 1   11   14   22 o  155.560   6.4949  164.437   13.692  164.437   13.692   0.0000   0.0000  155.560   6.4949  ?   ?       ?      ? 
1 1 1   11   14   23 o  194.465   6.4501  256.981   16.998  256.981   16.998   0.0000   0.0000  194.465   6.4501  ?   ?       ?      ? 
1 1 1   11   14   24 o  141.316   6.4097  136.428   10.953  136.821   12.871  135.397   20.853  141.874   6.6945  140.758   10.932 1.115707 12.81930 
1 1 1   11   14   25 o  262.914   10.419  472.097   37.120   0.0000   0.0000  472.097   37.120  ?   ?   262.914   10.419      ?      ? 
1 1 1   11   14   26 o  186.646   5.9935  224.735   13.728  209.277   16.034  267.181   26.569  175.445   6.7440  197.846   9.9099 -22.40065 11.98697 
1 1 1   11   14   27 o  118.957   6.7116   91.362   9.7867   85.044   11.422  108.812   18.981  111.788   7.5399  126.127   11.105 -14.33886 13.42310 
1 1 1   11   14   28 o  187.194   6.0077  234.074   13.938  227.430   16.527  250.441   25.938  182.888   6.6686  191.500   9.9951 -8.611893 12.01549 
1 1 1   11   14   29 o  114.678   6.6388   88.893   8.6728   88.181   9.8632   91.321   18.210  113.892   6.3906  115.463   11.638 -1.570328 13.27759 
1 1 1   11   14   30 o  210.995   5.6687  293.477   13.631  285.564   15.434  321.526   29.058  205.031   5.5549  216.960   9.8834 -11.92865 11.33746 
1 1 1   11   14   31 o  209.908   5.7174  296.556   13.573  293.623   15.382  306.878   28.853  207.907   5.4595  211.910   10.047 -4.002960 11.43486 
1 1 1   11   14   32 o   85.483   7.4149   47.314   7.2589   45.154   8.2055   55.091   15.567   81.437   7.4353   89.528   12.831 -8.090950 14.82977 
1 1 1   11   14   33 o   77.052   7.4986   34.648   6.8262   29.362   7.7117   53.780   14.672   65.607   8.6740   88.496   12.234 -22.88914 14.99712 
1 1 1   11   14   34 o   52.711   8.6445   24.751   6.5994   33.111   7.6263  -0.1762   13.168   69.694   8.0749   35.729   15.287 33.96538 17.28894 
1 1 1   11   14   35 o  105.423   7.4621   86.286   8.4218   94.853   9.6677   59.323   17.151  118.109   6.0403   92.736   13.647 25.37280 14.92428 
1 1 1   11   14   36 o  153.905   5.9101  159.529   10.427  157.718   11.881  165.598   21.755  152.313   5.7562  155.497   10.324 -3.184067 11.82021 
1 1 1   11   14   37 f  165.098   5.8136  176.872   11.027  169.339   12.488  203.523   23.488  157.804   5.8398  172.391   10.054 -14.58684 11.62729 
1 1 1   11   14   38 o  162.205   6.4345  182.652   13.085  187.420   15.874  172.543   23.114  165.854   7.0629  158.557   10.758 7.297409 12.86893 
1 1 1   11   14   39 o  237.826   7.2208  387.976   23.271  392.477   32.905  383.472   32.914  239.224   10.150  236.429   10.273 2.794647 14.44168 
1 1 1   11   14   40 f  172.652   6.3419  204.544   13.785  205.470   16.685  202.554   24.468  173.592   7.0929  171.712   10.515 1.880600 12.68372 
1 1 1   11   14   41 o  188.441   10.284  244.020   26.261   0.0000   0.0000  244.020   26.261  ?   ?   188.441   10.284      ?      ? 
1 1 1   11   14   42 o  161.846   5.8766  175.145   10.913  171.638   12.415  187.061   22.883  158.778   5.7700  164.914   10.239 -6.136276 11.75329 
1 1 1   11   14   43 f   79.117   9.3675   54.235   7.6065   62.554   8.7516   28.539   15.381   95.748   6.7449   62.486   17.479 33.26128 18.73506 
1 1 1   11   14   44 o   85.283   7.4543   47.871   7.3586   45.848   8.3677   54.773   15.457   81.872   7.5420   88.695   12.860 -6.823540 14.90864 
1 1 1   11   14   45 o   83.939   8.4955   48.359   9.6635   48.359   9.6635   0.0000   0.0000   83.939   8.4955  ?   ?       ?      ? 
1 1 1   11   14   46 o   94.684   6.4420   61.629   8.0582   61.304   10.300   62.143   12.939   94.528   8.0403   94.840   10.067 -0.3121796 12.88404 
1 1 1   11   14   47 o  143.401   4.9235  140.379   9.4752  115.365   13.012  168.620   13.825  129.742   7.4006  157.060   6.4958 -27.31773 9.846990 
1 1 1   11   14   48 o   80.793   6.0843   44.939   6.6584   46.833   9.5498   43.147   9.2884   82.457   8.5464   79.128   8.6621 3.328835 12.16857 
1 1 1   11   14   49 o  116.014   5.1287   92.372   8.0624   92.778   11.487   91.978   11.319  116.258   7.2913  115.771   7.2146 0.4868011 10.25733 
1 1 1   11   14   50 o   99.853   5.3879   68.715   7.2761   64.177   10.334   73.175   10.246   96.521   7.9009  103.184   7.3277 -6.662621 10.77590 
1 1 1   11   14   51 o   95.302   5.5200   62.657   7.1218   59.303   10.048   66.042   10.096   92.697   7.9989   97.907   7.6092 -5.209801 11.04002 
1 1 1   11   14   52 o   51.122   8.2724   19.185   5.6055   18.327   8.1016   19.972   7.7639   49.918   12.102   52.325   11.281 -2.407097 16.54473 
1 1 1   11   14   53 o   52.740   7.9677   20.267   5.6741   27.184   8.0878   13.562   7.9625   62.372   9.5688   43.108   12.743 19.26336 15.93541 
1 1 1   11   14   54 o   86.533   5.6945   52.011   6.6548   57.377   9.4789   46.796   9.3451   91.030   7.6841   82.036   8.4061 8.993752 11.38891 
1 1 1   11   14   55 o   73.410   6.4037   37.863   6.2354   28.583   8.6212   48.041   9.0293   63.684   9.9897   83.136   8.0146 -19.45224 12.80733 
1 1 1   11   14   56 o   82.383   8.7765   48.902   9.7804   46.111   13.357   52.129   14.361   79.888   12.338   84.878   12.486 -4.989571 17.55303 
1 1 1   11   14   57 o   44.771   10.638   13.732   8.1952   21.888   11.493   5.2954   11.689   53.160   15.194   36.382   14.894 16.77756 21.27650 
1 1 1   11   14   58 o   42.476   10.139   12.584   6.6017   15.252   11.556   11.291   8.0435   45.456   15.574   39.496   12.986 5.959770 20.27749 
1 1 1   11   14   59 o   48.716   8.4492   19.932   6.7677   0.0181   11.551   30.341   8.3514   32.089   14.022   65.344   9.4313 -33.25531 16.89831 
1 1 1   11   14   60 o   38.398   9.6711   9.3434   6.2569   14.407   10.191   6.2801   7.9265   43.755   14.627   33.042   12.656 10.71272 19.34224 
1 1 1   11   14   61 o   42.119   9.4667   13.572   6.3512   8.1145   9.7866   17.543   8.3479   36.553   14.048   47.685   12.694 -11.13129 18.93337 
1 1 1   11   14   62 o   45.229   15.674   15.718   11.720   0.0000   0.0000   15.718   11.720  ?   ?    45.229   15.674      ?      ? 
1 1 1   11   14   63 o   95.985   11.382   67.985   14.805   0.0000   0.0000   67.985   14.805  ?   ?    95.985   11.382      ?      ? 
1 1 1   11   14   64 o   88.651   8.6050   58.643   9.8394   43.717   13.253   76.974   14.687   74.760   13.582  102.542   10.569 -27.78268 17.21005 
1 1 1   11   14   65 o   63.121   9.7017   31.876   8.2565   39.044   11.446   24.099   11.922   72.290   11.684   53.952   15.491 18.33801 19.40340 
1 1 1   11   14   66 o   61.019   10.112   29.944   8.2936   23.219   11.332   37.702   12.171   53.006   15.065   69.032   13.494 -16.02595 20.22492 
1 1 1   11   14   67 o   51.817   10.794   22.641   8.1764   25.311   10.986   19.326   12.242   55.505   14.461   48.129   16.030 7.375244 21.58879 
1 1 1   11   14   68 o   50.400   10.926   20.731   8.2641   15.256   10.939   28.011   12.614   43.527   15.139   57.273   15.758 -13.74578 21.85193 
1 1 1   11   14   69 o   41.276   10.383   11.546   7.7642   3.7614   10.286   21.857   11.838   32.151   13.626   50.402   15.671 -18.25085 20.76634 
1 1 1   11   15    0 o   96.507   5.7592   63.473   7.4518   64.191   9.8771   62.524   11.353   97.171   7.5009   95.843   8.7414 1.327339 11.51850 
1 1 1   11   15    1 o  265.745   4.9473  479.783   17.793  477.572   24.519  482.242   25.861  265.117   6.8247  266.372   7.1642 -1.255463 9.894568 
1 1 1   11   15    2 o  179.919   4.8529  218.489   11.777  205.574   15.759  234.828   17.725  173.950   6.6851  185.888   7.0365 -11.93832 9.705820 
1 1 1   11   15    3 o  141.823   4.9933  137.057   9.5308  140.009   12.831  133.424   14.235  143.558   6.5955  140.088   7.4987 3.470505 9.986548 
1 1 1   11   15    4 f  116.897   7.1036   94.801   9.6355   96.404   11.118   89.965   19.311  119.108   6.8885  114.687   12.425 4.421005 14.20714 
1 1 1   11   15    5 o  155.353   6.5453  168.335   11.992  172.652   13.981  156.318   23.328  159.421   6.4716  151.285   11.379 8.136887 13.09050 
1 1 1   11   15    6 o  243.629   6.2874  401.708   18.664  398.586   21.978  409.781   35.346  242.202   6.6961  245.057   10.644 -2.855286 12.57476 
1 1 1   11   15    7 o  248.787   6.4582  438.882   19.674  465.398   23.683  379.847   35.338  261.713   6.6778  235.861   11.056 25.85161 12.91643 
1 1 1   11   15    8 o  207.763   6.2425  291.085   15.812  287.474   18.605  300.476   30.003  205.686   6.6747  209.839   10.551 -4.153290 12.48507 
1 1 1   11   15    9 o  203.458   6.1413  286.836   16.156  264.394   26.679  299.832   20.303  196.901   9.9984  210.014   7.1338 -13.11284 12.28253 
1 1 1   11   15   10 o  337.202   5.3788  773.848   24.552  816.219   34.756  731.641   34.688  346.455   7.4029  327.949   7.8054 18.50656 10.75769 
1 1 1   11   15   11 o  232.794   5.9377  370.183   15.214  371.096   17.115  366.741   33.219  233.801   5.4018  231.788   10.576 2.012085 11.87532 
1 1 1   11   15   12 o  134.612   6.6781  134.119   9.1834  140.499   10.227  107.563   20.866  143.865   5.2459  125.358   12.283 18.50697 13.35613 
1 1 1   11   15   13 o   56.954   8.1833   22.080   6.3160   22.080   6.3160   0.0000   0.0000   56.954   8.1833  ?   ?       ?      ? 
1 1 1   11   15   14 o  138.247   5.4046  129.761   10.125  129.761   10.125   0.0000   0.0000  138.247   5.4046  ?   ?       ?      ? 
1 1 1   11   15   15 o  242.335   5.4050  398.733   17.750  398.733   17.750   0.0000   0.0000  242.335   5.4050  ?   ?       ?      ? 
1 1 1   11   15   16 o  226.116   5.3482  347.144   16.388  347.144   16.388   0.0000   0.0000  226.116   5.3482  ?   ?       ?      ? 
1 1 1   11   15   17 o  178.994   5.9681  214.387   11.511  211.946   12.813  224.605   26.214  176.677   5.3516  181.312   10.669 -4.634705 11.93612 
1 1 1   11   15   18 o  256.366   6.1289  463.063   17.390  475.025   19.725  421.321   36.847  264.479   5.5036  248.252   10.953 16.22685 12.25772 
1 1 1   11   15   19 o  282.476   6.1284  544.664   19.275  545.372   21.770  542.094   41.467  283.361   5.6695  281.591   10.867 1.769684 12.25677 
1 1 1   11   15   20 o   96.250   7.3078   59.328   7.5018   57.041   8.2737   69.893   17.786   91.595   6.6657  100.905   13.007 -9.309677 14.61570 
1 1 1   11   15   21 o   46.322   9.9770   15.323   6.0179   16.620   6.6254   9.2068   14.386   48.407   10.409   44.236   17.024 4.171375 19.95401 
1 1 1   11   15   22 o  105.470   6.5662   62.507   7.7322   53.981   8.5335  101.615   18.276   89.078   7.0693  121.863   11.067 -32.78478 13.13235 
1 1 1   11   15   23 o  137.253   6.8804  148.293   9.9948  164.610   11.473   96.932   20.355  155.677   5.4384  118.830   12.641 36.84757 13.76085 
1 1 1   11   15   24 o  102.496   7.3416   75.809   8.0835   78.649   9.1079   65.272   17.544  107.562   6.2485   97.431   13.287 10.13127 14.68324 
1 1 1   11   15   25 o   67.933   9.6823   38.358   6.8980   42.272   7.7014   22.480   15.512   78.811   7.2111   57.056   17.972 21.75449 19.36465 
1 1 1   11   15   26 o  152.857   6.0974  156.027   10.210  153.763   11.420  165.046   22.793  150.437   5.6018  155.276   10.832 -4.839691 12.19478 
1 1 1   11   15   27 f  234.170   5.8514  360.137   15.323  350.092   17.215  398.435   33.615  226.989   5.5966  241.352   10.278 -14.36305 11.70284 
1 1 1   11   15   28 o  208.366   6.1375  317.226   14.215  335.499   16.301  259.236   29.040  222.219   5.4132  194.512   11.017 27.70692 12.27506 
1 1 1   11   15   29 f  147.874   6.1231  149.135   10.098  149.068   11.407  149.375   21.704  148.097   5.6840  147.650   10.847 0.4467010 12.24617 
1 1 1   11   15   30 o   90.292   7.3108   52.596   7.5091   50.086   8.4610   61.905   16.295   85.752   7.2811   94.833   12.680 -9.080795 14.62159 
1 1 1   11   15   31 o   55.316   9.9483   21.653   6.6148   21.766   7.5160   21.265   13.931   55.499   10.375   55.132   16.977 0.3662415 19.89654 
1 1 1   11   15   32 o  132.931   6.6559  119.788   11.016  118.153   13.154  123.625   20.156  131.669   7.3724  134.194   11.084 -2.524948 13.31180 
1 1 1   11   15   33 o  183.333   7.1919  230.527   17.845  233.534   24.722  227.257   25.785  184.641   9.8804  182.025   10.453 2.616287 14.38377 
1 1 1   11   15   34 o  136.502   6.4907  117.388   11.211  101.452   13.295  156.606   20.857  121.899   8.0483  151.106   10.185 -29.20757 12.98144 
1 1 1   11   15   35 o   58.981   10.593   25.629   8.1357   27.116   9.8237   22.382   14.516   61.663   12.188   56.300   17.329 5.362755 21.18579 
1 1 1   11   15   36 o  164.718   6.4195  188.000   13.133  191.405   15.782  180.334   23.682  167.539   6.9515  161.897   10.794 5.641815 12.83905 
1 1 1   11   15   37 f  168.551   6.5912  205.279   13.643  222.949   16.599  168.493   23.951  180.811   6.7746  156.292   11.309 24.51996 13.18248 
1 1 1   11   15   38 o  110.236   6.4621   71.952   8.3228   62.481   9.3693  107.384   18.122   95.653   7.2281  124.818   10.714 -29.16508 12.92425 
1 1 1   11   15   39 o   90.738   8.2582   62.787   7.8887   67.081   9.0296   48.944   16.213   99.141   6.7210   82.335   15.087 16.80598 16.51644 
1 1 1   11   15   40 o  134.480   6.0503  123.308   11.026  123.308   11.026   0.0000   0.0000  134.480   6.0503  ?   ?       ?      ? 
1 1 1   11   15   41 o  114.174   6.4517   89.003   9.9822   89.003   9.9822   0.0000   0.0000  114.174   6.4517  ?   ?       ?      ? 
1 1 1   11   15   42 f   48.555   10.175   18.120   6.9006   20.817   7.8029   8.4381   14.783   53.848   11.063   43.262   17.079 10.58629 20.34930 
1 1 1   11   15   43 o  102.264   7.2363   74.283   8.4160   75.971   9.6509   68.925   17.195  105.379   6.7582   99.149   12.798 6.229980 14.47265 
1 1 1   11   15   44 o  142.692   5.9598  130.762   9.8518  122.762   11.164  158.926   20.947  134.026   6.1465  151.359   10.212 -17.33243 11.91952 
1 1 1   11   15   45 o  154.325   5.9703  161.632   10.655  159.295   12.186  169.215   21.954  152.678   5.8898  155.972   10.387 -3.293961 11.94054 
1 1 1   11   15   46 o  109.644   6.8142   86.099   8.5077   88.563   9.7792   78.430   17.254  113.720   6.3457  105.568   12.061 8.152679 13.62832 
1 1 1   11   15   47 o  104.088   6.6609   73.819   8.1067   72.410   9.3143   78.221   16.462  102.719   6.6914  105.456   11.519 -2.737190 13.32182 
1 1 1   11   15   48 o   65.602   8.7469   30.409   6.6516   29.715   7.6877   32.475   13.267   65.466   8.6655   65.737   15.197 -0.2711868 17.49378 
1 1 1   11   15   49 o   92.761   7.3407   62.790   7.7249   65.064   8.8922   55.794   15.597   97.254   6.7471   88.267   13.039 8.987602 14.68137 
1 1 1   11   15   50 o  149.717   6.1873  152.886   11.620  147.803   13.907  164.642   21.148  146.401   7.0101  153.033   10.198 -6.632416 12.37464 
1 1 1   11   15   51 o  103.519   5.4493   74.305   7.6002   64.279   10.580   84.996   10.925   96.173   8.1177  110.864   7.2721 -14.69152 10.89866 
1 1 1   11   15   52 o   57.109   9.4094   24.677   6.8267   23.787   11.962   25.106   8.3135   55.596   15.366   58.622   10.865 -3.026466 18.81885 
1 1 1   11   15   53 o   84.978   7.1030   49.743   7.8534   56.305   13.404   46.312   9.6910   88.694   11.152   81.261   8.8004 7.432968 14.20600 
1 1 1   11   15   54 o   96.515   8.2751   67.909   10.696   72.777   14.460   62.030   15.893  100.923   10.573   92.108   12.733 8.815392 16.55029 
1 1 1   11   15   55 o  105.419   8.0188   79.695   11.405   72.902   15.286   88.226   17.129  100.460   11.228  110.378   11.452 -9.917747 16.03766 
1 1 1   11   15   56 o   39.032   9.6880   9.7545   6.1368   14.720   10.441   7.1340   7.5851   44.292   14.806   33.772   12.499 10.51989 19.37594 
1 1 1   11   15   57 o   52.142   9.3434   20.711   6.4701   22.661   10.497   19.516   8.2165   53.706   14.205   50.578   12.142 3.128414 18.68674 
1 1 1   11   15   58 o   79.843   8.5793   47.367   8.9522   38.414   12.229   57.706   13.141   70.663   13.257   89.023   10.893 -18.36040 17.15858 
1 1 1   11   15   59 o   54.565   9.9539   22.656   7.9101   11.808   10.607   36.246   11.873   40.714   14.827   68.416   13.285 -27.70173 19.90774 
1 1 1   11   15   60 o   41.309   10.464   11.896   7.5310   7.7912   10.109   17.015   11.289   36.248   14.181   46.369   15.391 -10.12139 20.92800 
1 1 1   11   15   61 o   60.423   14.831   29.602   12.054   0.0000   0.0000   29.602   12.054  ?   ?    60.423   14.831      ?      ? 
1 1 1   11   15   62 o   54.033   15.039   23.972   11.417   0.0000   0.0000   23.972   11.417  ?   ?    54.033   15.039      ?      ? 
1 1 1   11   15   63 o   56.476   10.518   26.123   8.1658   23.546   11.194   29.054   11.938   53.462   14.896   59.490   14.854 -6.028069 21.03645 
1 1 1   11   15   64 o   37.156   10.127   8.2032   7.3739   3.4779   9.9297   14.013   11.010   31.868   13.440   42.445   15.152 -10.57680 20.25357 
1 1 1   11   15   65 o   48.913   9.6152   17.206   7.9672   1.7889   10.835   35.353   11.756   31.459   13.666   66.368   13.530 -34.90827 19.23043 
1 1 1   11   16    0 o  109.612   5.7088   81.987   8.4072   83.356   11.234   80.245   12.675  110.690   7.4894  108.534   8.6180 2.156349 11.41757 
1 1 1   11   16    1 o  191.006   4.9910  248.757   12.845  254.882   17.390  241.403   19.055  193.641   6.6271  188.371   7.4648 5.270844 9.982070 
1 1 1   11   16    2 o  142.919   6.8916  138.881   13.347  138.881   13.347   0.0000   0.0000  142.919   6.8916  ?   ?       ?      ? 
1 1 1   11   16    3 o   64.490   16.396   29.830   14.361   29.830   14.361   0.0000   0.0000   64.490   16.396  ?   ?       ?      ? 
1 1 1   11   16    4 o  131.764   6.4145  122.726   10.564  130.816   12.930  106.491   18.317  138.705   6.8792  124.824   10.829 13.88127 12.82902 
1 1 1   11   16    5 o  157.777   5.9306  167.397   11.777  163.837   14.158  175.391   21.219  155.237   6.7303  160.318   9.7669 -5.080917 11.86127 
1 1 1   11   16    6 o   96.009   6.9519   60.980   8.3974   57.938   10.031   68.104   15.351   92.247   8.0246   99.771   11.354 -7.524620 13.90376 
1 1 1   11   16    7 o   99.547   5.9093   67.945   7.8553   70.362   10.374   64.698   12.026  101.685   7.5287   97.409   9.1103 4.275726 11.81858 
1 1 1   11   16    8 o   88.288   6.2612   52.496   7.4274   48.527   9.7621   57.952   11.445   84.392   8.5362   92.185   9.1620 -7.793251 12.52233 
1 1 1   11   16    9 o  131.480   5.2236  117.867   9.2376  119.677   12.386  115.597   13.867  132.657   6.8899  130.304   7.8531 2.352890 10.44713 
1 1 1   11   16   10 o   99.378   5.8900   67.052   7.8768   65.423   10.480   69.166   11.941   98.023   7.8897  100.732   8.7477 -2.708351 11.78006 
1 1 1   11   16   11 o  131.844   6.6164  113.585   9.1621  110.800   10.088  126.699   21.891  127.705   5.8294  135.983   11.880 -8.278320 13.23279 
1 1 1   11   16   12 o  200.245   6.0053  269.712   13.109  267.312   14.657  279.311   29.310  198.387   5.4520  202.104   10.702 -3.716370 12.01062 
1 1 1   11   16   13 o  162.674   6.5352  193.202   11.284  201.950   12.694  160.261   24.634  172.434   5.4326  152.915   11.888 19.51971 13.07041 
1 1 1   11   16   14 o   82.053   9.6668   53.463   7.6416   56.979   8.4689   38.062   17.726   91.526   6.8281   72.579   18.088 18.94676 19.33369 
1 1 1   11   16   15 o  137.674   6.3965  122.184   9.4750  117.889   10.486  141.299   22.120  131.714   5.8746  143.633   11.365 -11.91873 12.79309 
1 1 1   11   16   16 o  131.486   6.9806  129.244   9.4834  136.415   10.621  101.031   21.065  141.707   5.5306  121.265   12.819 20.44139 13.96111 
1 1 1   11   16   17 o  141.476   6.3162  130.901   9.6065  127.446   10.648  146.008   22.266  136.952   5.7377  145.999   11.254 -9.046356 12.63247 
1 1 1   11   16   18 o   87.650   9.1559   57.748   8.8690   62.052   10.343   45.793   17.237   95.430   7.9981   79.871   16.473 15.55865 18.31172 
1 1 1   11   16   19 o  104.189   7.6030   73.546   9.3216   72.773   10.757   75.876   18.677  103.363   7.6799  105.014   13.124 -1.651428 15.20599 
1 1 1   11   16   20 o  126.382   6.8849  104.268   10.494   98.864   12.163  120.011   20.759  120.488   7.4492  132.277   11.581 -11.78893 13.76986 
1 1 1   11   16   21 o  143.331   6.6574  140.693   11.508  141.104   13.505  139.602   21.992  143.986   6.9215  142.676   11.374 1.310089 13.31482 
1 1 1   11   16   22 o   92.208   7.9618   55.217   8.8168   51.925   10.180   65.102   17.640   87.230   8.6115   97.185   13.394 -9.955261 15.92361 
1 1 1   11   16   23 o  130.859   6.7225  114.062   10.667  110.502   12.458  123.842   20.651  127.377   7.2175  134.341   11.343 -6.964249 13.44490 
1 1 1   11   16   24 o  160.460   6.5071  181.736   12.703  189.901   15.161  162.505   23.269  167.030   6.6983  153.891   11.158 13.13914 13.01419 
1 1 1   11   16   25 o  141.535   6.7263  134.857   11.727  131.902   13.868  142.273   21.971  139.127   7.3554  143.944   11.264 -4.816895 13.45263 
1 1 1   11   16   26 o   49.140   11.458   15.805   9.3075   22.491   12.506   7.5044   13.935   56.065   15.789   42.215   16.609 13.84997 22.91596 
1 1 1   11   16   27 o   70.555   9.4665   32.070   7.9987   27.570   9.3421   44.427   15.482   62.377   11.475   78.734   15.059 -16.35618 18.93295 
1 1 1   11   16   28 o  132.973   6.3524  117.595   9.4786  115.047   10.680  127.044   20.567  130.021   6.0617  135.926   11.166 -5.904816 12.70487 
1 1 1   11   16   29 o   67.606   9.6551   34.376   7.0331   35.897   7.8901   28.491   15.517   72.496   8.0313   62.716   17.561 9.779762 19.31023 
1 1 1   11   16   30 o   53.594   10.182   19.198   6.4207   18.371   7.1639   22.572   14.477   50.758   10.750   56.431   17.295 -5.673393 20.36330 
1 1 1   11   16   31 o   89.259   7.3167   51.022   7.4334   48.120   8.3644   61.925   16.213   83.960   7.3515   94.559   12.653 -10.59894 14.63350 
1 1 1   11   16   32 o   80.358   8.8005   49.736   7.3598   53.071   8.3684   38.349   15.464   88.186   7.0026   72.529   16.148 15.65677 17.60102 
1 1 1   11   16   33 o   71.972   9.1707   40.804   7.0903   44.277   8.1049   29.477   14.636   80.494   7.4302   63.450   16.769 17.04454 18.34142 
1 1 1   11   16   34 o   70.258   9.6158   39.446   7.2136   42.715   8.1509   27.636   15.493   79.024   7.6114   61.493   17.661 17.53098 19.23163 
1 1 1   11   16   35 o   98.957   6.7830   66.884   9.0960   66.884   9.0960   0.0000   0.0000   98.957   6.7830  ?   ?       ?      ? 
1 1 1   11   16   36 o   75.062   8.0620   38.636   8.2006   38.636   8.2006   0.0000   0.0000   75.062   8.0620  ?   ?       ?      ? 
1 1 1   11   16   37 o  152.426   5.9911  151.339   10.449  144.603   11.813  175.561   22.402  145.572   5.9882  159.281   10.378 -13.70830 11.98210 
1 1 1   11   16   38 o  103.669   7.2384   78.430   8.4694   82.167   9.7519   66.962   17.085  109.625   6.5645   97.713   12.903 11.91220 14.47684 
1 1 1   11   16   39 o   82.657   8.3413   50.825   7.4877   53.067   8.6052   43.835   15.194   87.984   7.2173   77.329   15.041 10.65458 16.68256 
1 1 1   11   16   40 o   82.717   7.6076   45.510   7.3344   43.554   8.3698   51.981   15.224   79.600   7.7593   85.835   13.088 -6.235840 15.21523 
1 1 1   11   16   41 o   59.481   9.5105   22.030   6.6249   18.057   7.5411   35.469   13.868   49.850   11.410   69.112   15.219 -19.26133 19.02099 
1 1 1   11   16   42 f   96.131   7.2048   64.475   7.9281   64.541   9.0673   64.259   16.337   96.962   6.9007   95.300   12.650 1.662193 14.40968 
1 1 1   11   16   43 o   83.954   8.2861   50.996   7.5207   51.591   8.5518   48.964   15.798   86.580   7.2889   81.328   14.883 5.251122 16.57213 
1 1 1   11   16   44 o   91.506   7.1360   55.143   7.6358   52.005   8.7045   65.621   15.906   86.855   7.3954   96.157   12.206 -9.301331 14.27194 
1 1 1   11   16   45 o   46.935   10.035   12.953   6.2225   9.2729   7.1250   24.781   12.774   36.764   12.229   57.107   15.913 -20.34306 20.06909 
1 1 1   11   16   46 o  101.920   6.7210   69.333   8.0112   66.180   9.1546   79.639   16.554   97.980   6.8948  105.861   11.539 -7.881195 13.44210 
1 1 1   11   16   47 o  115.909   6.9082   87.706   10.340   73.618   12.516  117.999   18.353  102.614   9.0007  129.204   10.482 -26.59032 13.81637 
1 1 1   11   16   48 o  102.733   7.4068   74.319   9.6287   73.417   11.680   76.232   17.010  102.577   8.4026  102.889   12.200 -0.3125610 14.81363 
1 1 1   11   16   49 o   45.385   10.210   11.336   7.1924   4.2217   8.6871   26.841   12.825   32.117   12.953   58.654   15.786 -26.53743 20.42051 
1 1 1   11   16   50 o   31.072   9.4679   1.0475   6.8081   1.1669   8.2204   0.7867   12.148   28.602   12.154   33.542   14.520 -4.939243 18.93573 
1 1 1   11   16   51 o   68.551   10.358   36.310   9.2900   35.532   12.489   37.275   13.900   68.057   14.009   69.044   15.262 -0.9867172 20.71637 
1 1 1   11   16   52 o   40.158   10.193   9.7010   7.9223   18.312   10.586  -1.2593   11.944   48.570   14.770   31.745   14.050 16.82566 20.38530 
1 1 1   11   16   53 o   40.760   9.8087   9.7855   7.8288   21.405   10.467  -4.9659   11.794   52.208   14.351   29.311   13.376 22.89758 19.61746 
1 1 1   11   16   54 o   23.784   10.825  -3.5973   7.6592  -3.5973   7.6592   0.0000   0.0000   23.784   10.825  ?   ?       ?      ? 
1 1 1   11   16   55 o   49.658   12.603   19.082   8.4949   19.082   8.4949   0.0000   0.0000   49.658   12.603  ?   ?       ?      ? 
1 1 1   11   16   56 o   33.587   13.769   4.9164   10.007   4.9164   10.007   0.0000   0.0000   33.587   13.769  ?   ?       ?      ? 
1 1 1   11   16   57 o   45.210   10.537   15.967   7.5397   18.831   10.838   13.280   10.496   48.387   14.986   42.033   14.816 6.354134 21.07376 
1 1 1   11   16   58 o   75.767   8.7911   43.935   8.6885   35.842   12.198   52.269   12.378   67.273   13.843   84.261   10.841 -16.98795 17.58223 
1 1 1   11   16   59 o   64.502   13.239   32.764   11.184   0.0000   0.0000   32.764   11.184  ?   ?    64.502   13.239      ?      ? 
1 1 1   11   16   60 o   24.756   11.459  -5.3860   9.0951   0.0000   0.0000  -5.3860   9.0951  ?   ?    24.756   11.459      ?      ? 
1 1 1   11   16   61 o   23.853   11.132  -6.2427   8.8608  -6.2427   8.8608   0.0000   0.0000   23.853   11.132  ?   ?       ?      ? 
1 1 1   11   17    0 o  134.673   5.4264  122.520   9.8520  114.198   13.141  133.201   14.888  129.510   7.4876  139.837   7.8563 -10.32681 10.85289 
1 1 1   11   17    1 o  143.985   5.9877  140.172   11.577  149.761   17.828  133.181   15.223  148.163   8.8796  139.807   8.0352 8.355865 11.97544 
1 1 1   11   17    2 o   76.289   9.6507   39.182   9.4757   22.909   12.287   63.063   14.884   56.652   15.538   95.926   11.450 -39.27395 19.30137 
1 1 1   11   17    3 o  140.509   5.4619  133.427   10.291  127.668   13.485  141.456   15.924  136.949   7.2665  144.068   8.1564 -7.119110 10.92380 
1 1 1   11   17    4 o  199.478   5.0233  271.844   13.510  283.231   18.450  258.677   19.838  204.052   6.6722  194.904   7.5111 9.147644 10.04664 
1 1 1   11   17    5 o  173.054   5.0354  202.481   11.746  191.553   15.669  216.499   17.746  167.784   6.8913  178.324   7.3437 -10.53989 10.07071 
1 1 1   11   17    6 o   55.982   8.8136   24.131   6.9126   34.430   9.0296   9.5507   10.744   71.003   9.3845   40.962   14.921 30.04082 17.62724 
1 1 1   11   17    7 o  172.920   5.1256  205.798   11.873  233.650   16.453  175.537   17.150  185.336   6.5509  160.503   7.8849 24.83308 10.25119 
1 1 1   11   17    8 o  232.242   5.0261  365.352   15.755  348.250   21.175  386.560   23.580  226.213   6.9075  238.270   7.3030 -12.05667 10.05220 
1 1 1   11   17    9 o  174.092   5.0596  206.749   11.883  211.077   16.157  201.649   17.538  176.124   6.7694  172.060   7.5216 4.063919 10.11924 
1 1 1   11   17   10 o  189.131   5.0499  244.528   12.875  255.533   17.590  231.826   18.897  193.789   6.6981  184.474   7.5592 9.314743 10.09978 
1 1 1   11   17   11 o  212.487   6.0382  303.332   14.020  300.110   15.682  316.157   31.288  210.152   5.5068  214.823   10.748 -4.671158 12.07635 
1 1 1   11   17   12 o  120.847   7.1979  105.305   8.9998  108.539   10.010   91.659   20.562  126.355   5.8457  115.338   13.156 11.01704 14.39582 
1 1 1   11   17   13 o  249.436   6.1826  429.208   16.975  432.465   19.124  417.113   36.854  252.246   5.5946  246.626   11.027 5.619614 12.36523 
1 1 1   11   17   14 o  265.293   6.2988  490.248   18.440  497.456   20.834  464.172   39.623  270.514   5.6832  260.072   11.243 10.44199 12.59762 
1 1 1   11   17   15 o  105.396   8.1210   79.403   8.5879   81.040   9.4509   71.643   20.570  109.133   6.3905  101.658   14.932 7.474701 16.24204 
1 1 1   11   17   16 o  212.858   6.1479  312.871   14.358  315.341   16.159  303.604   31.293  215.381   5.5365  210.335   10.979 5.045822 12.29581 
1 1 1   11   17   17 o  226.475   6.2190  361.863   15.573  370.776   17.655  330.618   33.055  233.530   5.5788  219.421   11.117 14.10963 12.43797 
1 1 1   11   17   18 o  203.960   6.0845  280.661   13.823  278.010   15.575  290.496   29.997  202.194   5.6844  205.726   10.760 -3.532272 12.16899 
1 1 1   11   17   19 o  177.071   6.4034  210.253   13.678  205.382   15.953  223.773   26.577  173.641   6.7796  180.501   10.865 -6.860077 12.80689 
1 1 1   11   17   20 o  162.014   6.7574  185.002   13.020  191.168   15.285  168.701   24.853  167.516   6.7334  156.511   11.718 11.00476 13.51474 
1 1 1   11   17   21 f  192.150   6.1291  252.483   13.025  252.475   14.672  252.511   28.292  192.657   5.6198  191.643   10.894 1.013702 12.25822 
1 1 1   11   17   22 o   61.330   10.207   27.416   6.8521   28.113   7.5432   24.130   16.388   64.103   8.6835   58.558   18.475 5.544701 20.41393 
1 1 1   11   17   23 f  136.186   6.6079  129.450   9.6056  130.958   10.726  123.337   21.590  138.722   5.7055  133.650   11.921 5.071213 13.21586 
1 1 1   11   17   24 o  147.235   6.7297  163.463   10.516  174.380   11.914  124.949   22.377  160.087   5.4919  134.383   12.288 25.70410 13.45940 
1 1 1   11   17   25 o  102.903   7.2032   71.122   8.0206   70.007   8.9354   75.745   18.197  101.333   6.5070  104.474   12.853 -3.140778 14.40649 
1 1 1   11   17   26 o   62.553   9.8635   27.554   6.8392   27.481   7.6255   27.851   15.464   63.303   8.8892   61.804   17.611 1.498863 19.72692 
1 1 1   11   17   27 o   57.242   10.111   20.715   6.7079   18.253   7.5355   30.110   14.722   50.426   11.307   64.058   16.765 -13.63246 20.22133 
1 1 1   11   17   28 o   78.306   9.4317   48.855   7.5160   52.548   8.4654   35.103   16.334   87.689   7.1239   68.923   17.467 18.76614 18.86348 
1 1 1   11   17   29 o  108.307   6.4390   80.068   9.4505   80.068   9.4505   0.0000   0.0000  108.307   6.4390  ?   ?       ?      ? 
1 1 1   11   17   30 o   87.791   7.1678   52.726   8.5274   52.726   8.5274   0.0000   0.0000   87.791   7.1678  ?   ?       ?      ? 
1 1 1   11   17   31 o   96.832   7.2358   53.356   7.8520   45.844   8.6766   87.341   18.455   81.760   7.8312  111.904   12.170 -30.14398 14.47163 
1 1 1   11   17   32 o   68.353   9.7050   41.765   7.4387   48.914   8.5090   18.588   15.320   84.478   7.4328   52.229   17.930 32.24804 19.41002 
1 1 1   11   17   33 o   66.248   9.5026   32.599   6.9961   33.539   7.9273   29.291   14.877   69.814   8.3793   62.682   17.058 7.131962 19.00528 
1 1 1   11   17   34 o   63.518   9.6449   29.251   6.9198   29.479   7.8202   28.427   14.854   65.364   8.8288   61.672   17.151 3.691483 19.28980 
1 1 1   11   17   35 o   64.665   9.4298   27.221   6.9273   24.799   7.8113   36.143   14.992   59.808   9.6378   69.522   16.211 -9.713276 18.85955 
1 1 1   11   17   36 o   59.508   9.4949   28.953   6.8205   32.585   7.8466   17.727   13.795   68.703   8.4279   50.312   17.017 18.39134 18.98975 
1 1 1   11   17   37 o   72.611   8.6442   35.802   7.0246   34.074   7.9750   41.784   14.838   70.222   8.3805   74.999   15.121 -4.776733 17.28832 
1 1 1   11   17   38 f   86.890   8.6473   59.835   7.7145   64.445   8.7938   44.437   16.072   96.875   6.6986   76.906   15.945 19.96890 17.29462 
1 1 1   11   17   39 o   37.784   9.9326   4.9263   6.0104   1.5728   6.8131   16.696   12.764   27.078   11.256   48.490   16.369 -21.41144 19.86530 
1 1 1   11   17   40 o   72.807   8.3126   34.608   6.9002   31.431   7.8375   45.558   14.551   67.265   8.5981   78.349   14.229 -11.08359 16.62519 
1 1 1   11   17   41 o   61.457   9.2289   26.343   6.6019   25.090   7.5467   30.428   13.627   59.917   9.2944   62.997   15.947 -3.080128 18.45782 
1 1 1   11   17   42 o   64.522   9.9523   31.493   8.1979   32.040   10.259   30.526   13.636   66.123   11.886   62.921   15.966 3.201248 19.90458 
1 1 1   11   17   43 o   91.319   7.9978   59.425   9.2470   59.327   11.257   59.626   16.214   92.037   9.0259   90.601   13.206 1.435829 15.99568 
1 1 1   11   17   44 o  108.607   7.0553   79.893   9.7506   73.649   11.721   93.926   17.571  102.665   8.4247  114.550   11.320 -11.88467 14.11055 
1 1 1   11   17   45 o   53.356   10.352   22.778   7.5705   25.143   9.1071   17.489   13.619   58.083   11.969   48.629   16.894 9.453918 20.70360 
1 1 1   11   17   46 o   35.272   9.5149   6.5667   6.8577   11.805   8.3461  -4.3183   12.031   40.318   13.227   30.227   13.682 10.09095 19.02984 
1 1 1   11   17   47 o   49.859   11.435   18.440   8.8897   13.373   11.694   25.377   13.683   43.446   15.604   56.271   16.721 -12.82492 22.87072 
1 1 1   11   17   48 o   39.097   10.656   8.6207   8.3462   14.080   11.251   1.9398   12.446   43.833   15.347   34.361   14.786 9.472527 21.31123 
1 1 1   11   17   49 o   49.631   15.388   19.434   11.423   19.434   11.423   0.0000   0.0000   49.631   15.388  ?   ?       ?      ? 
1 1 1   11   17   50 o   55.858   12.027   23.754   8.8348   23.754   8.8348   0.0000   0.0000   55.858   12.027  ?   ?       ?      ? 
1 1 1   11   17   51 f   73.036   9.5665   38.297   9.4683   38.297   9.4683   0.0000   0.0000   73.036   9.5665  ?   ?       ?      ? 
1 1 1   11   17   52 o   49.818   12.578   19.279   8.4931   19.279   8.4931   0.0000   0.0000   49.818   12.578  ?   ?       ?      ? 
1 1 1   11   17   53 f   31.032   12.415   4.7071   7.9098   4.7071   7.9098   0.0000   0.0000   31.032   12.415  ?   ?       ?      ? 
1 1 1   11   17   54 o   27.402   11.676   1.3708   7.6243   1.3708   7.6243   0.0000   0.0000   27.402   11.676  ?   ?       ?      ? 
1 1 1   11   17   55 o   21.615   10.098  -5.7613   7.3223  -5.7613   7.3223   0.0000   0.0000   21.615   10.098  ?   ?       ?      ? 
1 1 1   11   17   56 o   31.641   12.397   5.6494   7.7340   5.6494   7.7340   0.0000   0.0000   31.641   12.397  ?   ?       ?      ? 
1 1 1   11   18    0 o  105.954   6.0066   76.816   8.5489   77.773   11.403   75.587   12.918  106.768   7.8813  105.140   9.0665 1.628044 12.01320 
1 1 1   11   18    1 o  115.544   5.8832   91.585   9.1083   94.268   12.116   88.099   13.812  117.572   7.6045  113.516   8.9788 4.056343 11.76641 
1 1 1   11   18    2 o  147.140   5.3660  146.001   10.632  133.213   14.104  162.833   16.181  139.778   7.4460  154.502   7.7286 -14.72342 10.73193 
1 1 1   11   18    3 o  157.927   5.2554  168.674   11.184  157.670   14.890  182.919   16.942  152.092   7.2247  163.762   7.6342 -11.66960 10.51085 
1 1 1   11   18    4 o   67.062   8.4226   30.736   7.4239   26.148   9.6950   37.240   11.543   60.555   12.235   73.569   11.578 -13.01375 16.84529 
1 1 1   11   18    5 o   71.976   10.518   39.959   9.5262   27.057   16.258   46.705   11.756   61.460   18.218   82.492   10.516 -21.03226 21.03546 
1 1 1   11   18    6 o   64.104   13.405   29.451   11.270   0.0000   0.0000   29.451   11.270  ?   ?    64.104   13.405      ?      ? 
1 1 1   11   18    7 o  101.609   12.477   71.269   17.181   0.0000   0.0000   71.269   17.181  ?   ?   101.609   12.477      ?      ? 
1 1 1   11   18    8 o  134.037   8.5471  126.708   14.948   87.938   21.096  165.799   21.183  112.609   13.824  155.465   10.055 -42.85646 17.09411 
1 1 1   11   18    9 o   69.391   9.8866   36.449   9.0199   20.507   13.486   49.353   12.133   54.026   16.715   84.755   10.564 -30.72898 19.77325 
1 1 1   11   18   10 o  171.779   6.2271  207.824   14.050  169.501   21.357  237.064   18.655  157.157   10.028  186.400   7.3853 -29.24348 12.45428 
1 1 1   11   18   11 f  153.402   7.3126  177.299   12.600  193.000   14.659  132.883   24.655  168.318   6.4266  138.486   13.138 29.83272 14.62514 
1 1 1   11   18   12 o  106.244   8.1341   82.147   9.4889   85.609   10.792   70.351   19.921  112.025   7.1088  100.462   14.633 11.56276 16.26824 
1 1 1   11   18   13 o   92.614   7.8265   51.075   7.5970   47.038   8.2771   72.659   19.138   83.010   7.3581  102.218   13.816 -19.20750 15.65308 
1 1 1   11   18   14 o  132.347   6.8635  120.519   9.4840  120.668   10.493  119.852   22.168  133.131   5.8160  131.562   12.434 1.568924 13.72698 
1 1 1   11   18   15 o  101.090   7.3508   61.819   7.8989   57.230   8.6479   84.916   19.402   91.579   6.9684  110.601   12.945 -19.02155 14.70160 
1 1 1   11   18   16 o  109.164   7.4039   82.664   8.3775   83.001   9.2581   81.143   19.681  110.360   6.1905  107.968   13.452 2.391678 14.80779 
1 1 1   11   18   17 o   85.921   9.3848   57.969   7.5788   60.974   8.3533   43.977   18.023   94.550   6.5195   77.293   17.601 17.25673 18.76956 
1 1 1   11   18   18 o   73.288   9.6902   39.652   7.0626   40.448   7.7666   35.845   16.977   76.919   7.4510   69.657   17.891 7.262535 19.38048 
1 1 1   11   18   19 o  137.474   6.3003  119.180   9.4288  112.642   10.437  148.208   21.992  128.550   5.9912  146.398   11.085 -17.84772 12.60055 
1 1 1   11   18   20 f  129.431   7.1299  124.491   9.6117  130.394   10.768  101.356   21.319  138.328   5.7445  120.534   13.052 17.79387 14.25988 
1 1 1   11   18   21 o  100.764   9.0270   84.595   8.5741   92.841   9.6258   52.922   18.865  116.666   6.0885   84.863   16.996 31.80305 18.05407 
1 1 1   11   18   22 o   69.651   8.4789   33.315   8.0029   33.315   8.0029   0.0000   0.0000   69.651   8.4789  ?   ?       ?      ? 
1 1 1   11   18   23 o  148.617   5.8504  150.661   11.782  150.661   11.782   0.0000   0.0000  148.617   5.8504  ?   ?       ?      ? 
1 1 1   11   18   24 o  112.425   6.4488   86.371   9.8248   86.371   9.8248   0.0000   0.0000  112.425   6.4488  ?   ?       ?      ? 
1 1 1   11   18   25 o   90.201   7.9199   53.999   7.8033   52.266   8.6937   61.183   17.700   87.323   7.3467   93.078   14.033 -5.754761 15.83971 
1 1 1   11   18   26 o  123.040   7.1088  113.192   9.3159  119.295   10.530   91.221   19.982  132.176   5.8791  113.905   12.945 18.27170 14.21756 
1 1 1   11   18   27 o   94.163   7.8242   65.174   7.8464   67.557   8.8266   56.195   17.132   99.350   6.5560   88.976   14.209 10.37408 15.64841 
1 1 1   11   18   28 o   73.846   9.0129   39.656   7.0556   40.083   7.9340   38.040   15.427   76.360   7.6673   71.333   16.314 5.027184 18.02571 
1 1 1   11   18   29 o   74.872   8.4985   36.211   6.9870   33.407   7.8251   47.238   15.518   69.596   8.2970   80.148   14.834 -10.55244 16.99694 
1 1 1   11   18   30 o   25.024   8.3158  -7.2521   5.7648  -7.7973   6.5308  -5.3279   12.268   19.373   9.1982   30.676   13.856 -11.30245 16.63154 
1 1 1   11   18   31 o  106.484   6.7210   75.594   8.2331   72.824   9.3508   85.150   17.366  103.005   6.6989  109.962   11.654 -6.957390 13.44201 
1 1 1   11   18   32 o  116.217   6.4193   85.579   8.5522   79.084   9.6232  109.983   18.654  107.321   6.6169  125.113   11.002 -17.79245 12.83869 
1 1 1   11   18   33 o   64.049   9.4164   35.462   6.9409   40.720   7.9743   19.027   14.098   76.799   7.6623   51.300   17.204 25.49884 18.83283 
1 1 1   11   18   34 o   42.326   9.4541   13.841   6.3253   17.571   7.1855   1.0002   13.332   49.002   11.081   35.650   15.321 13.35245 18.90830 
1 1 1   11   18   35 o   84.662   8.5266   56.078   7.5587   59.804   8.6444   43.975   15.578   93.165   6.8470   76.159   15.618 17.00664 17.05326 
1 1 1   11   18   36 o   76.556   8.7291   46.093   7.2143   49.416   8.3247   36.070   14.458   84.554   7.2653   68.557   15.875 15.99699 17.45830 
1 1 1   11   18   37 o   54.316   10.005   24.032   7.6128   29.181   9.3609   13.974   13.082   63.182   11.350   45.450   16.479 17.73193 20.00977 
1 1 1   11   18   38 o   50.600   9.7485   15.028   7.0938   6.3516   8.5550   34.124   12.692   34.204   13.137   66.997   14.407 -32.79322 19.49699 
1 1 1   11   18   39 o   64.614   9.5377   29.917   7.6395   26.915   9.2071   36.551   13.687   60.325   11.685   68.903   15.078 -8.578503 19.07543 
1 1 1   11   18   40 o   97.223   7.8378   72.161   9.2521   80.037   11.307   56.204   16.095  107.145   7.7876   87.301   13.604 19.84391 15.67562 
1 1 1   11   18   41 o   57.151   11.104   25.180   9.4652   13.667   13.113   37.701   13.676   44.572   16.446   69.729   14.924 -25.15649 22.20830 
1 1 1   11   18   42 o   56.204   11.572   25.254   9.3705   27.060   13.122   23.375   13.385   58.238   16.093   54.170   16.635 4.067688 23.14482 
1 1 1   11   18   43 o   46.313   11.259   15.861   8.6533   11.904   11.968   20.196   12.527   41.999   15.669   50.628   16.172 -8.629200 22.51751 
1 1 1   11   18   44 o   54.923   15.631   24.164   12.190   24.164   12.190   0.0000   0.0000   54.923   15.631  ?   ?       ?      ? 
1 1 1   11   18   45 o   55.914   12.360   23.913   9.1164   23.913   9.1164   0.0000   0.0000   55.914   12.360  ?   ?       ?      ? 
1 1 1   11   18   46 o   61.420   11.775   28.540   9.4438   28.540   9.4438   0.0000   0.0000   61.420   11.775  ?   ?       ?      ? 
1 1 1   11   18   47 o   32.455   12.819   5.5483   8.3313   5.5483   8.3313   0.0000   0.0000   32.455   12.819  ?   ?       ?      ? 
1 1 1   11   18   48 o   30.545   12.450   3.9407   8.1231   3.9407   8.1231   0.0000   0.0000   30.545   12.450  ?   ?       ?      ? 
1 1 1   11   18   49 o   44.413   13.135   15.441   8.4581   15.441   8.4581   0.0000   0.0000   44.413   13.135  ?   ?       ?      ? 
1 1 1   11   18   50 o   39.127   13.102   11.545   8.1763   11.545   8.1763   0.0000   0.0000   39.127   13.102  ?   ?       ?      ? 
1 1 1   11   18   51 o   32.688   12.454   6.6105   7.6509   6.6105   7.6509   0.0000   0.0000   32.688   12.454  ?   ?       ?      ? 
1 1 1   11   18   52 o   31.108   12.160   5.4631   7.4282   5.4631   7.4282   0.0000   0.0000   31.108   12.160  ?   ?       ?      ? 
1 1 1   11   19    0 o  166.701   7.0240  188.093   14.021  184.491   16.304  198.322   27.473  164.292   7.3230  169.110   11.988 -4.817780 14.04800 
1 1 1   11   19    1 o  185.488   6.6425  222.786   14.786  208.331   17.049  266.657   29.701  174.602   7.2054  196.374   11.161 -21.77206 13.28491 
1 1 1   11   19    2 o   93.092   9.9201   69.079   9.8489   76.465   11.444   47.981   19.341  105.671   7.9915   80.514   18.159 25.15686 19.84015 
1 1 1   11   19    3 o   59.112   9.3890   24.643   7.2453   21.448   9.3545   29.435   11.454   54.452   12.879   63.772   13.665 -9.320263 18.77791 
1 1 1   11   19    4 o  140.572   5.4471  135.375   10.305  136.359   13.819  134.142   15.467  141.234   7.2201  139.911   8.1580 1.323303 10.89413 
1 1 1   11   19    5 o  136.014   5.4830  126.135   10.046  122.132   13.403  131.268   15.175  133.624   7.4019  138.405   8.0910 -4.781219 10.96601 
1 1 1   11   19    6 o  102.992   6.5442   76.280   8.6686   98.058   11.876   51.449   12.682  119.735   7.3195   86.248   10.850 33.48738 13.08840 
1 1 1   11   19    7 o   56.537   9.5877   22.278   7.1683   17.957   9.1769   29.041   11.481   49.823   13.331   63.250   13.784 -13.42680 19.17535 
1 1 1   11   19    8 o   64.715   8.6697   30.165   7.2649   32.196   9.4472   27.225   11.365   68.285   10.209   61.145   14.015 7.139271 17.33934 
1 1 1   11   19    9 o   87.101   6.9050   52.006   8.0694   50.186   10.610   54.504   12.429   85.394   9.1684   88.807   10.328 -3.412659 13.81004 
1 1 1   11   19   10 o  104.663   8.2398   77.603   10.050   79.118   11.644   73.180   19.899  107.404   8.0003  101.922   14.407 5.481316 16.47966 
1 1 1   11   19   11 o  158.290   6.5017  169.654   11.057  167.795   12.304  177.459   25.204  156.853   5.7884  159.727   11.644 -2.874512 13.00346 
1 1 1   11   19   12 o  142.942   7.5015  146.890   11.989  151.440   13.686  131.887   24.854  148.813   6.7867  137.071   13.380 11.74217 15.00302 
1 1 1   11   19   13 o   92.233   6.9874   58.222   8.7335   58.222   8.7335   0.0000   0.0000   92.233   6.9874  ?   ?       ?      ? 
1 1 1   11   19   14 o   62.176   9.0960   26.654   7.6640   26.654   7.6640   0.0000   0.0000   62.176   9.0960  ?   ?       ?      ? 
1 1 1   11   19   15 o  132.126   6.0142  119.222   10.768  119.222   10.768   0.0000   0.0000  132.126   6.0142  ?   ?       ?      ? 
1 1 1   11   19   16 o  123.896   7.7467  110.521   9.5487  112.439   10.486  101.206   23.110  128.294   6.0313  119.498   14.271 8.796043 15.49330 
1 1 1   11   19   17 o   76.788   9.3204   38.806   7.4317   36.771   8.1962   48.213   17.622   73.086   8.2756   80.490   16.703 -7.404480 18.64078 
1 1 1   11   19   18 o  117.707   7.3579   93.467   10.538   89.966   12.326  102.973   20.311  114.358   7.9539  121.055   12.381 -6.697105 14.71585 
1 1 1   11   19   19 f   88.789   8.4348   53.553   9.0867   51.432   10.611   59.389   17.598   86.239   9.0792   91.338   14.218 -5.099411 16.86958 
1 1 1   11   19   20 o   73.248   9.5079   34.581   8.3165   29.763   9.6203   48.832   16.544   65.281   10.875   81.215   15.599 -15.93416 19.01580 
1 1 1   11   19   21 o   59.103   10.605   25.928   7.9052   26.193   9.2869   25.231   15.063   60.101   11.824   58.105   17.607 1.995510 21.20907 
1 1 1   11   19   22 o   80.783   8.9478   46.639   8.4936   46.402   9.9978   47.255   16.101   81.825   9.0165   79.742   15.458 2.083382 17.89568 
1 1 1   11   19   23 o   54.523   9.9054   24.520   7.8607   31.095   9.3005   8.0780   14.708   66.717   10.287   42.328   16.931 24.38915 19.81077 
1 1 1   11   19   24 f   48.308   10.888   15.082   7.4962   11.923   8.8988   22.801   13.911   41.398   13.661   55.218   16.958 -13.81999 21.77641 
1 1 1   11   19   25 o   35.481   9.6307   5.8695   7.0756   11.501   8.4060  -7.8188   13.106   40.557   13.273   30.405   13.959 10.15212 19.26150 
1 1 1   11   19   26 o   35.584   10.184   4.4957   6.9895   3.2891   8.2609   7.5356   13.113   30.955   12.579   40.212   16.019 -9.256720 20.36755 
1 1 1   11   19   27 o   45.740   10.816   13.584   7.3375   11.257   8.7190   19.231   13.583   40.313   13.529   51.168   16.878 -10.85498 21.63113 
1 1 1   11   19   28 o   47.289   8.8380   17.611   7.4781   28.303   8.9276  -7.5312   13.691   63.393   10.392   31.185   14.298 32.20801 17.67606 
1 1 1   11   19   29 o   44.027   10.759   13.290   7.3911   13.244   8.8266   13.398   13.521   42.764   13.566   45.290   16.702 -2.525829 21.51743 
1 1 1   11   19   30 o  110.868   8.3682   88.348   12.504   95.978   17.414   80.227   17.966  116.206   11.058  105.530   12.563 10.67570 16.73636 
1 1 1   11   19   31 o   66.718   10.277   33.611   10.277   60.047   14.820   9.1293   14.262   91.433   11.961   42.003   16.714 49.43029 20.55318 
1 1 1   11   19   32 o   60.440   10.411   25.745   9.9506   48.768   14.733   6.4357   13.493   81.712   13.306   39.169   16.015 42.54235 20.82122 
1 1 1   11   19   33 o   74.436   10.760   42.659   10.487   44.115   14.977   41.258   14.688   75.770   15.116   73.102   15.317 2.668282 21.52043 
1 1 1   11   19   34 o   43.944   11.463   13.065   9.0383   11.374   13.196   14.559   12.405   42.684   16.334   45.205   16.088 -2.520931 22.92649 
1 1 1   11   19   35 o   45.657   10.587   14.278   7.3362   10.572   9.0577   21.347   12.508   39.103   13.765   52.210   16.088 -13.10665 21.17362 
1 1 1   11   19   36 o   32.480   9.4491  -4.0054   6.8702 -11.8205   8.2198   14.107   12.514   20.427   9.8612   44.533   16.121 -24.10614 18.89826 
1 1 1   11   19   37 o   85.607   8.0049   48.161   8.6239   40.477   10.164   67.904   16.293   75.228   9.9707   95.986   12.526 -20.75799 16.00976 
1 1 1   11   19   38 o   55.158   10.487   20.046   7.5859   13.530   8.9276   36.972   14.388   42.406   13.664   67.909   15.913 -25.50333 20.97398 
1 1 1   11   19   39 o   32.745   12.775   5.8169   8.1871   5.8169   8.1871   0.0000   0.0000   32.745   12.775  ?   ?       ?      ? 
1 1 1   11   19   40 o   72.210   9.6670   37.415   9.4595   37.415   9.4595   0.0000   0.0000   72.210   9.6670  ?   ?       ?      ? 
1 1 1   11   19   41 o   39.989   13.539   11.852   8.7319   11.852   8.7319   0.0000   0.0000   39.989   13.539  ?   ?       ?      ? 
1 1 1   11   19   42 o   38.155   13.232   10.558   8.3529   10.558   8.3529   0.0000   0.0000   38.155   13.232  ?   ?       ?      ? 
1 1 1   11   19   43 o   60.377   11.521   27.661   9.0825   27.661   9.0825   0.0000   0.0000   60.377   11.521  ?   ?       ?      ? 
1 1 1   11   19   44 o   43.337   13.418   14.662   8.6883   14.662   8.6883   0.0000   0.0000   43.337   13.418  ?   ?       ?      ? 
1 1 1   11   19   45 o   31.996   12.579   5.6411   7.9874   5.6411   7.9874   0.0000   0.0000   31.996   12.579  ?   ?       ?      ? 
1 1 1   11   19   46 o   42.161   13.118   13.892   8.2926   13.892   8.2926   0.0000   0.0000   42.161   13.118  ?   ?       ?      ? 
1 1 1   11   19   47 o   27.893   11.889   1.6041   7.9086   1.6041   7.9086   0.0000   0.0000   27.893   11.889  ?   ?       ?      ? 
1 1 1   11   20    0 o   66.302   8.6982   32.480   7.4195   37.092   9.7558   26.153   11.427   73.109   9.8471   59.494   14.341 13.61496 17.39634 
1 1 1   11   20    1 o   99.420   7.5280   69.239   9.3215   69.823   11.209   67.929   16.785  100.661   8.2172   98.179   12.616 2.481865 15.05591 
1 1 1   11   20    2 o   79.812   8.9380   43.057   8.5457   39.881   10.014   51.571   16.395   75.808   9.7475   83.816   14.985 -8.007095 17.87593 
1 1 1   11   20    3 o   64.337   10.155   26.431   7.9415   20.743   9.2532   42.336   15.473   53.177   12.959   75.498   15.638 -22.32087 20.31011 
1 1 1   11   20    4 o  110.131   7.3009   85.112   9.7588   85.972   11.532   82.941   18.315  111.800   7.6118  108.463   12.461 3.337677 14.60188 
1 1 1   11   20    5 o  132.985   6.5731  117.602   10.764  111.120   12.643  134.676   20.519  127.158   7.3373  138.813   10.908 -11.65461 13.14618 
1 1 1   11   20    6 o   72.141   8.0868   37.440   7.3883   38.717   9.3480   35.315   12.060   74.740   9.2296   69.542   13.281 5.198410 16.17357 
1 1 1   11   20    7 o   53.461   9.4417   19.733   6.7259   14.927   8.4625   27.976   11.083   45.315   13.064   61.607   13.635 -16.29221 18.88346 
1 1 1   11   20    8 o   46.357   9.9387   15.153   6.6124   13.775   8.3279   17.505   10.877   43.695   13.059   49.018   14.986 -5.322575 19.87746 
1 1 1   11   20    9 o   54.817   10.846   23.827   7.8835   26.373   8.9381   14.908   16.730   60.401   11.336   49.232   18.494 11.16927 21.69224 
1 1 1   11   20   10 f   73.532   9.8467   34.802   8.2965   30.720   9.3983   49.212   17.659   66.284   10.463   80.779   16.684 -14.49457 19.69339 
1 1 1   11   20   11 o   61.789   10.871   28.011   7.9418   27.758   8.9868   28.913   16.969   62.034   11.098   61.544   18.697 0.4898453 21.74230 
1 1 1   11   20   12 o   92.776   8.2287   55.369   8.9835   50.444   10.217   72.157   18.863   85.270   8.8415  100.283   13.881 -15.01250 16.45733 
1 1 1   11   20   13 o   69.024   10.053   33.095   8.0453   31.326   9.2005   38.840   16.584   66.922   10.145   71.125   17.359 -4.203239 20.10617 
1 1 1   11   20   14 o   51.684   10.621   21.363   7.7164   24.544   8.8248   11.033   15.903   58.005   11.632   45.363   17.775 12.64175 21.24283 
1 1 1   11   20   15 o   54.714   10.855   23.122   7.8196   24.581   8.9936   18.602   15.829   57.949   11.852   51.479   18.189 6.469212 21.71016 
1 1 1   11   20   16 o   60.563   9.9923   32.163   6.9666   35.775   7.6926   15.692   16.427   71.901   7.8951   49.226   18.359 22.67524 19.98454 
1 1 1   11   20   17 o   58.213   10.757   22.450   7.5484   19.242   8.5904   33.318   15.813   50.937   12.531   65.490   17.488 -14.55275 21.51447 
1 1 1   11   20   18 o   61.003   10.943   27.006   8.7141   27.006   8.7141   0.0000   0.0000   61.003   10.943  ?   ?       ?      ? 
1 1 1   11   20   19 o   92.167   6.7690   58.549   8.4544   58.549   8.4544   0.0000   0.0000   92.167   6.7690  ?   ?       ?      ? 
1 1 1   11   20   20 o   45.090   10.239   14.480   6.1416   14.855   6.7851   12.778   14.449   44.892   11.192   45.288   17.148 -0.3953476 20.47762 
1 1 1   11   20   21 o   80.861   8.5065   43.528   7.1224   41.202   7.8585   54.229   16.855   77.107   7.5207   84.616   15.261 -7.508186 17.01309 
1 1 1   11   20   22 o   63.838   9.7036   26.779   6.7385   24.496   7.4547   36.979   15.756   59.068   9.3131   68.608   17.027 -9.540478 19.40725 
1 1 1   11   20   23 o   30.822   9.3823   1.2938   6.6683   3.7394   7.7015  -6.0316   13.329   30.411   12.220   31.233   14.240 -0.8214264 18.76451 
1 1 1   11   20   24 o   31.823   9.6465  -0.7121   6.6005  -3.5188   7.6444   7.5111   13.085   24.061   10.897   39.584   15.921 -15.52343 19.29305 
1 1 1   11   20   25 o   37.017   10.132   7.9186   6.9091   9.9919   7.9457   1.4916   13.990   37.881   12.914   36.154   15.616 1.727299 20.26460 
1 1 1   11   20   26 o   46.100   10.966   14.056   7.2168   12.022   8.2941   20.397   14.643   40.631   13.178   51.568   17.532 -10.93710 21.93215 
1 1 1   11   20   27 o   89.139   7.9575   53.218   8.6050   48.560   9.9639   66.889   17.068   83.031   8.8553   95.247   13.224 -12.21539 15.91507 
1 1 1   11   20   28 o   53.659   9.9185   24.497   7.4914   29.041   8.6977   11.441   14.744   63.797   10.061   43.521   17.096 20.27595 19.83690 
1 1 1   11   20   29 o   91.554   8.2109   60.411   9.0719   59.759   10.654   62.131   17.301   92.103   8.5361   91.005   14.029 1.097984 16.42178 
1 1 1   11   20   30 o   36.929   10.007   1.3648   7.0082  -5.5720   8.2195   19.836   13.413   23.585   10.909   50.273   16.780 -26.68789 20.01466 
1 1 1   11   20   31 o   95.119   7.7831   63.038   9.1357   59.456   10.765   72.260   17.272   91.681   8.6646   98.558   12.932 -6.876602 15.56622 
1 1 1   11   20   32 o   51.917   10.580   22.495   7.7149   25.063   9.0097   15.436   14.937   57.510   11.951   46.323   17.461 11.18660 21.15917 
1 1 1   11   20   33 o   81.240   9.1867   47.081   10.114   47.081   10.114   0.0000   0.0000   81.240   9.1867  ?   ?       ?      ? 
1 1 1   11   20   34 o   73.186   9.8705   38.574   9.7892   38.574   9.7892   0.0000   0.0000   73.186   9.8705  ?   ?       ?      ? 
1 1 1   11   20   35 o   60.864   11.719   28.085   9.3150   28.085   9.3150   0.0000   0.0000   60.864   11.719  ?   ?       ?      ? 
1 1 1   11   20   36 o   46.542   12.935   16.907   8.4521   16.907   8.4521   0.0000   0.0000   46.542   12.935  ?   ?       ?      ? 
1 1 1   11   20   37 o   59.657   11.480   27.015   8.9440   27.015   8.9440   0.0000   0.0000   59.657   11.480  ?   ?       ?      ? 
1 1 1   11   20   38 o   75.007   9.4415   40.583   9.5968   40.583   9.5968   0.0000   0.0000   75.007   9.4415  ?   ?       ?      ? 
1 1 1   11   20   39 o   49.944   15.977   20.576   12.224   20.576   12.224   0.0000   0.0000   49.944   15.977  ?   ?       ?      ? 
1 1 1   11   20   40 o   67.454   14.677   36.832   13.035   36.832   13.035   0.0000   0.0000   67.454   14.677  ?   ?       ?      ? 
1 1 1   11   20   41 o   57.751   15.814   28.019   12.740   28.019   12.740   0.0000   0.0000   57.751   15.814  ?   ?       ?      ? 
1 1 1   11   20   42 o   31.855   13.904   1.3236   11.331   1.3236   11.331   0.0000   0.0000   31.855   13.904  ?   ?       ?      ? 
1 1 1   11   21    0 o   52.387   9.1126   18.424   6.6652   9.7109   8.4533   32.744   10.837   38.117   13.306   66.657   12.455 -28.54058 18.22529 
1 1 1   11   21    1 o   53.279   8.3697   23.148   6.7306   36.245   8.7533   4.2034   10.527   72.032   8.9674   34.526   14.135 37.50509 16.73935 
1 1 1   11   21    2 o   35.693   9.5276   5.8818   6.2795   2.1371   7.9276   12.188   10.288   29.250   12.149   42.136   14.680 -12.88634 19.05512 
1 1 1   11   21    3 o   89.153   6.7007   56.726   7.8911   61.270   10.361   50.451   12.176   93.877   8.1448   84.430   10.642 9.446533 13.40138 
1 1 1   11   21    4 o   95.974   6.3615   63.174   8.1745   56.697   10.605   72.654   12.831   90.134   8.6827  101.814   9.2997 -11.68031 12.72297 
1 1 1   11   21    5 o   94.023   6.4441   61.020   8.1075   56.643   10.521   67.417   12.721   90.093   8.6179   97.952   9.5832 -7.859459 12.88816 
1 1 1   11   21    6 o   66.347   8.3985   31.498   7.1924   29.824   9.1169   34.257   11.704   64.935   10.361   67.760   13.221 -2.825417 16.79704 
1 1 1   11   21    7 o   51.021   9.7789   19.049   6.7561   16.909   8.5032   22.713   11.126   47.518   12.882   54.525   14.716 -7.006893 19.55789 
1 1 1   11   21    8 f   77.460   7.2532   42.501   7.4199   42.654   9.5117   42.264   11.859   78.018   8.9966   76.902   11.380 1.116600 14.50640 
1 1 1   11   21    9 o   44.497   9.0990   15.298   6.5048   22.141   8.2408   3.9869   10.595   54.729   11.478   34.266   14.122 20.46264 18.19796 
1 1 1   11   21   10 o   77.862   9.4523   46.760   7.2954   47.868   8.0762   41.844   17.007   83.119   7.1701   72.605   17.492 10.51396 18.90466 
1 1 1   11   21   11 f   81.470   8.1075   38.724   7.1069   33.808   7.7621   64.210   17.673   69.589   8.2311   93.352   13.971 -23.76241 16.21501 
1 1 1   11   21   12 o  113.364   7.4750   95.212   8.7030   97.503   9.6666   85.411   19.996  118.984   5.9952  107.743   13.695 11.24062 14.94998 
1 1 1   11   21   13 o   67.075   10.063   34.915   6.9012   35.503   7.5632   31.989   16.868   71.371   7.8198   62.779   18.544 8.591812 20.12534 
1 1 1   11   21   14 o   65.526   10.318   31.916   7.7959   31.381   8.8384   33.791   16.547   66.538   9.8021   64.514   18.159 2.024040 20.63537 
1 1 1   11   21   15 o   40.118   9.9716   11.560   6.9581   15.301   7.9523  -0.6554   14.372   45.068   12.555   35.167   15.496 9.900070 19.94326 
1 1 1   11   21   16 o   93.124   8.7518   66.275   9.0085   68.901   10.445   58.650   17.798   99.344   7.7589   86.904   15.690 12.44002 17.50352 
1 1 1   11   21   17 o   51.738   9.1597   24.283   7.3581   32.210   8.4869   0.2870   14.766   67.459   9.2839   36.017   15.793 31.44162 18.31931 
1 1 1   11   21   18 o   62.861   10.295   32.319   7.8335   34.549   9.0001   25.351   15.910   69.745   9.5225   55.977   18.257 13.76807 20.59081 
1 1 1   11   21   19 o   59.489   9.0556   35.007   7.7065   46.623   8.9819   2.5974   15.003   81.492   8.1334   37.486   16.182 44.00674 18.11115 
1 1 1   11   21   20 o   60.761   10.417   25.028   7.5730   20.663   8.6763   38.992   15.519   52.061   12.464   69.460   16.694 -17.39936 20.83320 
1 1 1   11   21   21 o   43.570   10.647   14.122   7.2378   15.278   8.3538   10.643   14.495   44.714   13.005   42.426   16.860 2.287407 21.29347 
1 1 1   11   21   22 o   44.775   10.336   15.803   7.0813   17.964   8.1930   9.4206   14.080   48.434   12.423   41.115   16.523 7.318623 20.67183 
1 1 1   11   21   23 o   47.607   11.151   15.321   7.3146   12.880   8.3061   23.754   15.438   41.363   13.164   53.851   18.003 -12.48810 22.30225 
1 1 1   11   21   24 o   46.384   13.064   16.641   8.5615   16.641   8.5615   0.0000   0.0000   46.384   13.064  ?   ?       ?      ? 
1 1 1   11   21   25 o   49.987   9.1457   23.326   7.5589   31.199   8.5060  -6.2391   16.483   65.983   9.5129   33.991   15.623 31.99255 18.29133 
1 1 1   11   21   26 o   63.472   10.217   29.155   8.7880   29.155   8.7880   0.0000   0.0000   63.472   10.217  ?   ?       ?      ? 
1 1 1   11   21   27 f   32.593   12.487   6.2516   7.7180   6.2516   7.7180   0.0000   0.0000   32.593   12.487  ?   ?       ?      ? 
1 1 1   11   21   28 o   31.102   12.310   4.9492   7.6987   4.9492   7.6987   0.0000   0.0000   31.102   12.310  ?   ?       ?      ? 
1 1 1   11   21   29 o   76.516   9.0767   41.956   9.4116   41.956   9.4116   0.0000   0.0000   76.516   9.0767  ?   ?       ?      ? 
1 1 1   11   21   30 o   52.138   12.319   21.103   8.5661   21.103   8.5661   0.0000   0.0000   52.138   12.319  ?   ?       ?      ? 
1 1 1   11   21   31 o   63.128   10.307   29.103   8.8175   29.103   8.8175   0.0000   0.0000   63.128   10.307  ?   ?       ?      ? 
1 1 1   11   21   32 o   31.384   12.302   5.4356   7.6193   5.4356   7.6193   0.0000   0.0000   31.384   12.302  ?   ?       ?      ? 
1 1 1   11   21   33 o   34.202   12.764   7.7026   7.9429   7.7026   7.9429   0.0000   0.0000   34.202   12.764  ?   ?       ?      ? 
1 1 1   11   21   34 o   27.799   11.803   1.7452   7.7417   1.7452   7.7417   0.0000   0.0000   27.799   11.803  ?   ?       ?      ? 
1 1 1   11   21   35 o   61.421   11.021   28.664   8.8363   28.664   8.8363   0.0000   0.0000   61.421   11.021  ?   ?       ?      ? 
1 1 1   11   21   36 o   47.161   12.647   17.664   8.2488   17.664   8.2488   0.0000   0.0000   47.161   12.647  ?   ?       ?      ? 
1 1 1   11   21   37 o   39.909   12.835   12.436   7.8802   12.436   7.8802   0.0000   0.0000   39.909   12.835  ?   ?       ?      ? 
1 1 1   11   22    0 o   25.498   8.0667  -8.0821   5.7414 -14.8295   7.0611   5.0816   9.8628   17.046   8.4171   33.951   13.764 -16.90479 16.13333 
1 1 1   11   22    1 o   39.384   9.5639   9.7536   6.2146   5.4305   7.9033   16.757   10.059   32.134   12.547   46.634   14.437 -14.50008 19.12773 
1 1 1   11   22    2 o   34.210   9.7991   5.0322   7.1341   2.4790   10.187   7.4896   9.9941   32.117   13.583   36.302   14.128 -4.184502 19.59829 
1 1 1   11   22    3 o   31.003   13.288   1.3910   9.9798   0.0000   0.0000   1.3910   9.9798  ?   ?    31.003   13.288      ?      ? 
1 1 1   11   22    4 o   59.380   14.025   27.493   11.106   0.0000   0.0000   27.493   11.106  ?   ?    59.380   14.025      ?      ? 
1 1 1   11   22    5 o   58.982   14.093   27.186   11.110   0.0000   0.0000   27.186   11.110  ?   ?    58.982   14.093      ?      ? 
1 1 1   11   22    6 o   49.456   14.925   19.227   10.840   0.0000   0.0000   19.227   10.840  ?   ?    49.456   14.925      ?      ? 
1 1 1   11   22    7 o   39.619   10.280   10.673   7.2337   11.609   10.392   9.7934   10.075   40.667   14.696   38.572   14.379 2.095119 20.56072 
1 1 1   11   22    8 o   37.013   9.5428   6.3914   7.0796   16.912   10.150  -3.5768   9.8798   46.644   14.512   27.383   12.396 19.26119 19.08569 
1 1 1   11   22    9 o   32.516   10.019   0.6456   7.9204  -0.4674   9.8052   2.7353   13.436   29.307   12.859   35.725   15.368 -6.418257 20.03842 
1 1 1   11   22   10 o   44.148   10.770   13.248   6.9960   11.443   8.0597   18.763   14.090   39.355   13.002   48.941   17.173 -9.585312 21.53949 
1 1 1   11   22   11 o   44.621   10.800   13.862   6.9662   12.525   7.9538   18.268   14.434   40.750   12.873   48.492   17.344 -7.742645 21.59911 
1 1 1   11   22   12 o   40.066   10.350   11.257   6.8582   12.221   7.9004   8.3080   13.815   40.301   12.840   39.831   16.236 0.4702263 20.69960 
1 1 1   11   22   13 o   58.824   10.091   29.646   7.6360   33.075   8.8548   19.697   15.082   67.867   9.6281   49.781   17.737 18.08545 20.18170 
1 1 1   11   22   14 o   41.579   9.9727   13.529   6.9568   17.033   8.0465   3.1550   13.844   46.955   12.445   36.203   15.587 10.75202 19.94549 
1 1 1   11   22   15 o   52.058   10.791   20.302   7.2974   18.630   8.3992   25.449   14.739   49.015   12.581   55.100   17.536 -6.084305 21.58215 
1 1 1   11   22   16 o   28.467   9.0424  -2.0193   6.3764  -2.9969   7.4109   0.7678   12.513   23.680   10.726   33.254   14.561 -9.573921 18.08487 
1 1 1   11   22   17 o   23.304   10.580  -3.1276   7.2586  -3.1276   7.2586   0.0000   0.0000   23.304   10.580  ?   ?       ?      ? 
1 1 1   11   22   18 f   38.946   12.803   11.368   7.8181   11.368   7.8181   0.0000   0.0000   38.946   12.803  ?   ?       ?      ? 
1 1 1   11   22   19 o   68.500   9.4590   33.806   8.7805   33.806   8.7805   0.0000   0.0000   68.500   9.4590  ?   ?       ?      ? 
1 1 1   11   22   20 o   43.637   12.757   14.827   8.0196   14.827   8.0196   0.0000   0.0000   43.637   12.757  ?   ?       ?      ? 
1 1 1   11   22   21 o   26.353   11.330   0.7400   7.2956   0.7400   7.2956   0.0000   0.0000   26.353   11.330  ?   ?       ?      ? 
1 1 1   11   22   22 o   36.818   12.949   9.7795   8.0136   9.7795   8.0136   0.0000   0.0000   36.818   12.949  ?   ?       ?      ? 
1 1 1   11   22   23 o   48.583   12.592   18.541   8.3586   18.541   8.3586   0.0000   0.0000   48.583   12.592  ?   ?       ?      ? 
1 1 1   11   22   24 o   36.934   12.777   10.011   7.7863   10.011   7.7863   0.0000   0.0000   36.934   12.777  ?   ?       ?      ? 
1 1 1   11   22   25 o   37.938   12.836   10.799   7.8485   10.799   7.8485   0.0000   0.0000   37.938   12.836  ?   ?       ?      ? 
1 1 1   11   22   26 o   42.830   12.930   14.449   8.1339   14.449   8.1339   0.0000   0.0000   42.830   12.930  ?   ?       ?      ? 
1 1 1   11   22   27 o   30.323   12.133   4.6523   7.5554   4.6523   7.5554   0.0000   0.0000   30.323   12.133  ?   ?       ?      ? 
1 1 1   11   22   28 o   37.468   12.785   10.571   7.7881   10.571   7.7881   0.0000   0.0000   37.468   12.785  ?   ?       ?      ? 
1 1 1   11   22   29 o   70.454   9.5200   36.247   9.0893   36.247   9.0893   0.0000   0.0000   70.454   9.5200  ?   ?       ?      ? 
1 1 1   11   22   30 o   20.162   9.6292  -8.3430   7.3744  -8.3430   7.3744   0.0000   0.0000   20.162   9.6292  ?   ?       ?      ? 
1 1 1   11   22   31 o   20.732   9.7552  -6.1128   7.0432  -6.1128   7.0432   0.0000   0.0000   20.732   9.7552  ?   ?       ?      ? 
1 1 1   11   23    0 o   46.121   10.793   17.442   8.3981   22.652   10.362   7.4690   14.336   53.101   14.146   39.142   16.304 13.95913 21.58523 
1 1 1   11   23    1 o   38.614   10.959   8.5304   8.2757   7.9952   9.9830   9.7062   14.797   36.210   14.112   41.019   16.771 -4.808762 21.91877 
1 1 1   11   23    2 o   41.926   10.166   13.126   7.0485   16.928   10.310   9.7891   9.6584   46.062   14.667   37.790   14.081 8.272209 20.33154 
1 1 1   11   23    3 o   34.940   9.7518   6.9645   6.8334   5.6827   9.8249   8.1656   9.5107   33.891   13.738   35.988   13.844 -2.096935 19.50352 
1 1 1   11   23    4 o   26.647   8.4889  -3.5240   6.5941  -7.9650   9.2450   1.0750   9.4079   23.707   11.162   29.587   12.793 -5.880274 16.97784 
1 1 1   11   23    5 f   36.792   10.109   8.4079   7.2104   9.5533   10.619   7.4281   9.8216   38.105   14.636   35.479   13.948 2.626125 20.21778 
1 1 1   11   23    6 o   42.871   9.9629   13.142   8.4892   24.648   10.515  -8.3925   14.386   55.378   14.003   30.364   14.176 25.01354 19.92585 
1 1 1   11   23    7 f   53.192   11.572   23.977   9.0928   25.228   11.453   21.845   14.954   55.489   14.912   50.895   17.701 4.594673 23.14478 
1 1 1   11   23    8 o   40.237   14.816   11.755   10.634   11.755   10.634   0.0000   0.0000   40.237   14.816  ?   ?       ?      ? 
1 1 1   11   23    9 o   48.596   12.166   18.440   7.9935   18.440   7.9935   0.0000   0.0000   48.596   12.166  ?   ?       ?      ? 
1 1 1   11   23   10 o   44.977   12.510   15.886   7.9020   15.886   7.9020   0.0000   0.0000   44.977   12.510  ?   ?       ?      ? 
1 1 1   11   23   11 o   58.845   10.896   26.239   8.3690   26.239   8.3690   0.0000   0.0000   58.845   10.896  ?   ?       ?      ? 
1 1 1   11   23   12 o   38.337   12.830   11.120   7.8412   11.120   7.8412   0.0000   0.0000   38.337   12.830  ?   ?       ?      ? 
1 1 1   11   23   13 o   49.681   12.663   19.525   8.5508   19.525   8.5508   0.0000   0.0000   49.681   12.663  ?   ?       ?      ? 
1 1 1   11   23   14 o   80.788   12.613   49.920   13.808   49.920   13.808   0.0000   0.0000   80.788   12.613  ?   ?       ?      ? 
1 1 1   11   23   15 o   45.481   15.774   16.791   11.871   16.791   11.871   0.0000   0.0000   45.481   15.774  ?   ?       ?      ? 
1 1 1   11   23   16 o   47.282   15.753   18.552   11.822   18.552   11.822   0.0000   0.0000   47.282   15.753  ?   ?       ?      ? 
1 1 1   11   23   17 o   48.686   15.699   19.903   11.783   19.903   11.783   0.0000   0.0000   48.686   15.699  ?   ?       ?      ? 
1 1 1   11   23   18 o   44.418   15.646   15.995   11.704   15.995   11.704   0.0000   0.0000   44.418   15.646  ?   ?       ?      ? 
1 1 1   11   23   19 o   43.112   15.454   14.836   11.466   14.836   11.466   0.0000   0.0000   43.112   15.454  ?   ?       ?      ? 
1 1 1   11   23   20 o   34.738   12.625   8.5916   7.6845   8.5916   7.6845   0.0000   0.0000   34.738   12.625  ?   ?       ?      ? 
1 1 1   11   23   21 o   42.630   12.727   14.557   7.9132   14.557   7.9132   0.0000   0.0000   42.630   12.727  ?   ?       ?      ? 
1 1 1   11   23   22 o   48.551   12.376   18.900   8.1668   18.900   8.1668   0.0000   0.0000   48.551   12.376  ?   ?       ?      ? 
1 1 1   11   23   23 o   58.221   11.087   26.264   8.4276   26.264   8.4276   0.0000   0.0000   58.221   11.087  ?   ?       ?      ? 
1 1 1   11   23   24 o   25.239   10.998   0.3624   7.0617   0.3624   7.0617   0.0000   0.0000   25.239   10.998  ?   ?       ?      ? 
1 1 1   11   23   25 o   28.717   11.893   3.4791   7.5664   3.4791   7.5664   0.0000   0.0000   28.717   11.893  ?   ?       ?      ? 
1 1 1   11   24    0 o   36.282   10.572   7.0797   8.2615   5.6989   10.688   9.1292   13.022   34.081   14.127   38.483   15.734 -4.401993 21.14494 
1 1 1   11   24    1 f   32.007   9.8998   1.2081   8.0878  -1.7909   10.619   5.3515   12.481   28.710   12.937   35.305   14.989 -6.595165 19.79961 
1 1 1   11   24    2 o   49.467   10.852   21.245   8.7582   29.238   11.630   10.772   13.312   59.071   14.610   39.863   16.050 19.20778 21.70332 
1 1 1   11   24    3 o   48.112   11.246   20.214   8.7397   23.612   11.318   15.197   13.754   52.614   15.091   43.610   16.679 9.004108 22.49236 
1 1 1   11   24    4 o   27.938   9.1255  -4.6395   7.9208  -4.3832   10.168  -5.0352   12.633   26.579   12.236   29.297   13.541 -2.717279 18.25104 
1 1 1   11   24    5 o   36.654   10.634   6.8249   8.3124   3.0097   10.601   12.915   13.394   31.812   13.667   41.496   16.297 -9.683636 21.26882 
1 1 1   11   24    6 o   27.299   8.9102  -5.2876   7.8457  -0.4135   10.039 -12.9355   12.575   28.769   12.799   25.829   12.399 2.940191 17.82031 
1 1 1   11   24    7 o   32.057   13.780   3.1767   10.787   3.1767   10.787   0.0000   0.0000   32.057   13.780  ?   ?       ?      ? 
1 1 1   11   24    8 o   39.639   13.129   12.538   8.2156   12.538   8.2156   0.0000   0.0000   39.639   13.129  ?   ?       ?      ? 
1 1 1   11   24    9 f   29.836   13.159   0.7086   10.387   0.7086   10.387   0.0000   0.0000   29.836   13.159  ?   ?       ?      ? 
1 1 1   11   24   10 o   49.853   15.600   21.778   11.709   21.778   11.709   0.0000   0.0000   49.853   15.600  ?   ?       ?      ? 
1 1 1   11   24   11 o   32.005   13.717   3.5402   10.634   3.5402   10.634   0.0000   0.0000   32.005   13.717  ?   ?       ?      ? 
1 1 1   11   24   12 o   30.343   13.316   1.4332   10.518   1.4332   10.518   0.0000   0.0000   30.343   13.316  ?   ?       ?      ? 
1 1 1   11   24   13 o   38.019   14.887   10.555   11.149   10.555   11.149   0.0000   0.0000   38.019   14.887  ?   ?       ?      ? 
1 1 1   11   24   14 o   34.704   14.221   7.1628   10.669   7.1628   10.669   0.0000   0.0000   34.704   14.221  ?   ?       ?      ? 
1 1 1   11   24   15 o   23.846   10.804  -2.1364   7.5243  -2.1364   7.5243   0.0000   0.0000   23.846   10.804  ?   ?       ?      ? 
1 1 1   11   24   16 o   60.229   11.318   28.696   8.8989   28.696   8.8989   0.0000   0.0000   60.229   11.318  ?   ?       ?      ? 
1 1 1   11   24   17 o   36.117   12.922   10.193   8.0125   10.193   8.0125   0.0000   0.0000   36.117   12.922  ?   ?       ?      ? 
1 1 1   11   24   18 o   34.994   12.859   9.3317   8.0040   9.3317   8.0040   0.0000   0.0000   34.994   12.859  ?   ?       ?      ? 
1 1 1   11   24   19 o   50.476   12.351   21.107   8.3795   21.107   8.3795   0.0000   0.0000   50.476   12.351  ?   ?       ?      ? 
1 1 1   11   25    0 o   49.328   11.364   22.104   9.3721   11.604   12.686   34.719   13.906   38.403   15.595   60.253   16.532 -21.84998 22.72714 
1 1 1   11   25    1 o   34.932   10.438   6.6204   8.6381   1.5870   11.853   12.322   12.615   30.944   13.827   38.919   15.640 -7.975557 20.87576 
1 1 1   11   25    2 o   29.028   9.3516  -2.0075   8.1794  -6.8054   11.189   3.4985   11.987   25.863   12.208   32.192   14.169 -6.328653 18.70313 
1 1 1   11   25    3 o   40.844   10.827   12.594   8.7346   2.9079   11.744   24.585   13.067   31.590   13.959   50.098   16.555 -18.50836 21.65475 
1 1 1   11   25    4 o   33.603   10.188   5.8168   8.4037   8.7423   11.394   2.3269   12.445   35.439   14.629   31.766   14.183 3.672470 20.37573 
1 1 1   11   25    5 f   28.902   9.2222  -1.7270   8.0309   5.5481   10.984 -10.0835   11.772   32.700   13.976   25.103   12.036 7.597439 18.44450 
1 1 1   11   25    6 o   39.550   10.070   10.028   8.6719   25.890   11.857  -8.2172   12.716   52.255   15.574   26.844   12.772 25.41128 20.14088 
1 1 1   11   25    7 o   17.920   8.7828 -11.7567   7.2317 -11.7567   7.2317   0.0000   0.0000   17.920   8.7828  ?   ?       ?      ? 
1 1 1   11   25    8 o   29.389   12.176   4.6820   7.9353   4.6820   7.9353   0.0000   0.0000   29.389   12.176  ?   ?       ?      ? 
1 1 1   11   25    9 o   46.821   12.969   19.162   8.5110   19.162   8.5110   0.0000   0.0000   46.821   12.969  ?   ?       ?      ? 
1 1 1   11   25   10 o   46.140   13.010   18.713   8.4857   18.713   8.4857   0.0000   0.0000   46.140   13.010  ?   ?       ?      ? 
1 1 1   11   25   11 o   28.775   12.023   4.2987   7.8307   4.2987   7.8307   0.0000   0.0000   28.775   12.023  ?   ?       ?      ? 
1 1 1   11   25   12 o   33.980   12.840   9.2504   8.0903   9.2504   8.0903   0.0000   0.0000   33.980   12.840  ?   ?       ?      ? 
1 1 1   12    0    0 o  495.497   12.522  1668.72   83.960  1668.72   83.960   0.0000   0.0000  495.497   12.522  495.497   12.522 -0.000000 0.000000 
1 1 1   12    0    1 o  227.211   8.2616  351.363   25.361  351.363   25.361   0.0000   0.0000  227.211   8.2616  227.211   8.2616 -0.000000 0.000000 
1 1 1   12    0    2 f  806.213   18.624  4423.04  203.229  4423.04  203.229   0.0000   0.0000  806.213   18.624  806.213   18.624 -0.000000 0.000000 
1 1 1   12    0    3 f  659.455   15.693  2957.33  140.058   0.0000   0.0000  2957.33  140.058  659.455   15.693  659.455   15.693 -0.000000 0.000000 
1 1 1   12    0    4 o  313.135   9.4339  666.653   39.950   0.0000   0.0000  666.653   39.950  313.135   9.4339  313.135   9.4339 -0.000000 0.000000 
1 1 1   12    0    5 o  229.384   8.3374  358.121   25.839   0.0000   0.0000  358.121   25.839  229.384   8.3374  229.384   8.3374 -0.000000 0.000000 
1 1 1   12    0    6 o  114.312   5.5849   90.144   8.4811  104.008   12.100   76.753   11.891  123.226   7.3046  105.399   8.4504 -0.000000 0.000000 
1 1 1   12    0    7 o  225.992   5.8319  347.472   17.793  366.485   25.430  329.237   24.903  232.087   8.1080  219.897   8.3848 -0.000000 0.000000 
1 1 1   12    0    8 o  337.724   6.9209  772.714   31.561  722.218   43.238  830.299   46.173  325.922   9.8098  349.526   9.7655 -0.000000 0.000000 
1 1 1   12    0    9 f  254.224   6.0538  439.441   20.790  460.602   29.713  419.145   29.100  260.251   8.4453  248.197   8.6759 -0.000000 0.000000 
1 1 1   12    0   10 o  115.900   5.4108   92.229   8.4073   92.051   11.672   92.421   12.120  115.810   7.5097  115.989   7.7917 -0.000000 0.000000 
1 1 1   12    0   11 o  127.952   5.3570  112.143   9.2091  112.495   12.831  111.769   13.225  128.185   7.4439  127.719   7.7056 -0.000000 0.000000 
1 1 1   12    0   12 o  177.702   5.4827  214.893   13.134  203.887   18.169  226.939   19.007  172.912   7.7898  182.491   7.7174 -0.000000 0.000000 
1 1 1   12    0   13 f  753.459   12.407  3848.12  126.323  3657.43  172.860  4066.68  185.059  733.471   17.413  773.447   17.677 -0.000000 0.000000 
1 1 1   12    0   14 o  199.725   5.6196  271.781   15.147  280.306   21.343  263.130   21.499  202.917   7.7879  196.533   8.1037 -0.000000 0.000000 
1 1 1   12    0   15 o  262.956   6.1312  468.892   21.763  439.458   29.913  501.995   31.721  254.180   8.7073  271.732   8.6342 -0.000000 0.000000 
1 1 1   12    0   16 o  247.541   5.9998  416.366   20.062  403.528   27.826  430.263   28.951  243.561   8.4539  251.521   8.5161 -0.000000 0.000000 
1 1 1   12    0   17 o  976.901   22.108  6490.06  292.338  6490.06  292.338   0.0000   0.0000  976.901   22.108  976.901   22.108 -0.000000 0.000000 
1 1 1   12    0   18 o  1125.83   25.228  8624.41  384.453  8624.41  384.453   0.0000   0.0000  1125.83   25.228  1125.83   25.228 -0.000000 0.000000 
1 1 1   12    0   19 o  935.210   15.035  5941.31  190.226  6128.28  274.135  5767.67  264.182  949.400   21.332  921.021   21.192 -0.000000 0.000000 
1 1 1   12    0   20 o  895.789   14.451  5455.01  175.219  5476.35  248.110  5433.78  247.486  897.541   20.423  894.036   20.452 -0.000000 0.000000 
1 1 1   12    0   21 o  378.711   7.3850  974.353   37.830  969.461   53.010  979.430   54.003  377.747   10.373  379.675   10.514 -0.000000 0.000000 
1 1 1   12    0   22 o  757.189   12.462  3882.76  127.479  3676.35  173.923  4122.38  187.395  735.503   17.472  778.875   17.775 -0.000000 0.000000 
1 1 1   12    0   23 o  542.368   9.4810  1994.76   69.524  2098.99  100.807  1900.22   96.012  555.880   13.400  528.856   13.416 -0.000000 0.000000 
1 1 1   12    0   24 o  188.827   5.6215  243.084   14.318  249.885   20.115  236.100   20.385  191.542   7.7786  186.112   8.1178 -0.000000 0.000000 
1 1 1   12    0   26 o  200.652   5.7279  274.332   15.510  279.467   21.751  269.019   22.123  202.592   7.9504  198.712   8.2479 -0.000000 0.000000 
1 1 1   12    0   27 f   74.394   6.6729   39.370   6.4023   40.487   8.8014   38.115   9.3303   75.761   8.8935   73.028   9.9508 -0.000000 0.000000 
1 1 1   12    0   28 o  281.700   6.4079  539.510   24.398  555.979   34.731  523.465   34.282  285.965   8.9825  277.434   9.1410 -0.000000 0.000000 
1 1 1   12    0   29 o  739.709   12.235  3717.56  122.440  3623.88  170.279  3817.85  176.185  730.061   17.233  749.357   17.371 -0.000000 0.000000 
1 1 1   12    0   30 o  1065.99   17.004  7735.44  245.274  7928.24  352.347  7554.19  341.640  1078.87   24.127  1053.11   23.967 -0.000000 0.000000 
1 1 1   12    0   31 o  495.035   12.606  1665.48   84.445   0.0000   0.0000  1665.48   84.445  495.035   12.606  495.035   12.606 -0.000000 0.000000 
1 1 1   12    0   32 o  762.700   17.808  3956.89  183.826   0.0000   0.0000  3956.89  183.826  762.700   17.808  762.700   17.808 -0.000000 0.000000 
1 1 1   12    0   33 o  1479.22   23.283 14964.97  466.067 14656.18  649.523 15292.71  669.152  1463.54   32.787  1494.90   33.068 -0.000000 0.000000 
1 1 1   12    0   34 o  128.570   5.9989  113.656   10.291  128.221   14.726   99.755   14.386  136.829   8.0045  120.311   8.9372 -0.000000 0.000000 
1 1 1   12    0   35 o  181.601   5.8928  224.765   14.398  246.330   20.728  204.657   20.015  190.100   8.0793  173.102   8.5804 -0.000000 0.000000 
1 1 1   12    0   36 o  1086.35   17.359  8053.66  255.189  7897.39  356.050  8218.73  365.936  1075.53   24.457  1097.17   24.640 -0.000000 0.000000 
1 1 1   12    0   37 o  280.748   9.2031  536.277   34.928  536.277   34.928   0.0000   0.0000  280.748   9.2031  280.748   9.2031 -0.000000 0.000000 
1 1 1   12    0   38 o  1199.91   27.011  9856.84  438.708  9856.84  438.708   0.0000   0.0000  1199.91   27.011  1199.91   27.011 -0.000000 0.000000 
1 1 1   12    0   39 o  294.521   6.6603  590.155   26.519  599.418   37.741  581.122   37.270  296.812   9.4046  292.229   9.4336 -0.000000 0.000000 
1 1 1   12    0   40 o  194.883   5.9588  258.574   15.619  231.555   21.617  288.089   22.594  184.148   8.7069  205.619   8.1374 -0.000000 0.000000 
1 1 1   12    0   41 o  444.849   8.3217  1346.40   50.083  1327.72   70.328  1365.61   71.338  441.714   11.768  447.984   11.769 -0.000000 0.000000 
1 1 1   12    0   42 o  120.287   6.0665   99.593   9.7192  113.085   14.013   87.088   13.492  128.351   8.1316  112.224   9.0048 -0.000000 0.000000 
1 1 1   12    0   44 o  225.339   6.1567  345.820   18.727  360.689   26.895  331.825   26.092  230.066   8.6543  220.612   8.7591 -0.000000 0.000000 
1 1 1   12    0   45 o  514.164   9.2348  1801.10   64.250  1812.30   91.231  1790.09   90.499  515.750   13.072  512.579   13.048 -0.000000 0.000000 
1 1 1   12    0   46 o  332.508   7.0937  752.821   31.895  739.637   44.924  766.222   45.292  329.557   10.081  335.460   9.9831 -0.000000 0.000000 
1 1 1   12    0   47 o  107.411   6.4460   80.327   9.1811   73.805   13.186   86.463   12.791  102.923   9.6493  111.899   8.5497 -0.000000 0.000000 
1 1 1   12    0   48 o  216.037   6.1675  318.152   17.943  288.562   24.979  349.696   25.790  205.568   9.0059  226.506   8.4287 -0.000000 0.000000 
1 1 1   12    0   49 o  443.273   11.818  1339.22   70.879   0.0000   0.0000  1339.22   70.879  443.273   11.818  443.273   11.818 -0.000000 0.000000 
1 1 1   12    0   50 o  514.622   13.119  1806.78   91.358   0.0000   0.0000  1806.78   91.358  514.622   13.119  514.622   13.119 -0.000000 0.000000 
1 1 1   12    0   51 o  486.370   8.9411  1612.11   58.809  1670.66   84.855  1557.99   81.577  494.869   12.672  477.872   12.617 -0.000000 0.000000 
1 1 1   12    0   52 o  314.251   6.9841  672.703   29.661  644.399   41.383  702.601   42.533  307.423   9.9573  321.079   9.7960 -0.000000 0.000000 
1 1 1   12    0   53 f   65.886   9.7777   33.223   7.5754   41.092   11.066   26.282   10.392   75.138   11.717   56.633   15.657 -0.000000 0.000000 
1 1 1   12    0   54 o  199.790   6.2511  272.104   16.794  243.444   23.172  303.816   24.374  188.618   9.1140  210.962   8.5580 -0.000000 0.000000 
1 1 1   12    0   55 o  412.106   11.402  1158.91   63.566  1158.91   63.566   0.0000   0.0000  412.106   11.402  412.106   11.402 -0.000000 0.000000 
1 1 1   12    0   57 o  311.362   7.0201  661.456   29.550  649.897   41.617  673.209   41.965  308.600   9.9752  314.123   9.8805 -0.000000 0.000000 
1 1 1   12    0   58 o  127.884   6.5870  112.446   11.204  130.228   16.422   96.961   15.325  137.554   8.8954  118.214   9.7172 -0.000000 0.000000 
1 1 1   12    0   59 o  129.212   6.7119  115.799   11.547  104.084   16.403  127.307   16.257  122.456   10.040  135.968   8.9109 -0.000000 0.000000 
1 1 1   12    0   60 o  227.023   6.4736  352.017   19.815  327.744   27.627  377.736   28.437  218.887   9.3525  235.159   8.9532 -0.000000 0.000000 
1 1 1   12    0   61 o   99.231   7.6618   69.636   9.9558   65.448   14.294   73.581   13.874   96.013   11.411  102.449   10.227 -0.000000 0.000000 
1 1 1   12    0   62 f  281.613   6.9001  539.897   26.203  589.597   38.394  496.563   35.850  293.762   9.6682  269.465   9.8474 -0.000000 0.000000 
1 1 1   12    0   63 o  439.781   8.5263  1320.52   50.644  1409.08   74.158  1243.11   69.329  453.575   12.084  425.986   12.032 -0.000000 0.000000 
1 1 1   12    0   64 o   85.160   8.5308   52.413   9.2616   52.832   13.457   52.036   12.766   85.353   12.396   84.967   11.723 -0.000000 0.000000 
1 1 1   12    0   65 o   48.146   17.277   21.065   10.308   0.0000   0.0000   21.065   10.308   48.146   17.277   48.146   17.277 -0.000000 0.000000 
1 1 1   12    0   66 o  227.935   6.6540  356.284   20.458  358.120   29.534  354.591   28.367  228.453   9.5781  227.418   9.2392 -0.000000 0.000000 
1 1 1   12    0   67 o  104.628   7.9154   77.271   10.444  102.212   15.461   56.335   14.165  121.221   9.5479   88.035   12.627 -0.000000 0.000000 
1 1 1   12    0   68 o  153.030   6.7467  161.711   13.846  174.038   19.982  150.327   19.203  158.752   9.3630  147.308   9.7164 -0.000000 0.000000 
1 1 1   12    0   69 o  313.732   7.3064  677.179   30.975  653.424   43.643  701.289   43.969  308.102   10.480  319.362   10.183 -0.000000 0.000000 
1 1 1   12    0   71 o   47.531   18.553   21.662   11.413   21.662   11.413   0.0000   0.0000   47.531   18.553   47.531   18.553 -0.000000 0.000000 
1 1 1   12    0   72 o  167.236   6.6877  193.782   14.985  172.246   20.802  217.010   21.604  157.338   9.8449  177.134   9.0542 -0.000000 0.000000 
1 1 1   12    0   73 o  270.552   7.0037  506.165   25.582  481.079   35.668  532.743   36.712  263.562   10.019  277.543   9.7887 -0.000000 0.000000 
1 1 1   12    0   74 o  103.658   7.8474   77.126   10.664   71.406   15.169   82.717   14.995   99.435   11.679  107.881   10.485 -0.000000 0.000000 
1 1 1   12    0   75 o  118.000   7.3689   98.804   11.548   92.304   16.307  105.342   16.354  113.829   10.795  122.171   10.034 -0.000000 0.000000 
1 1 1   12    0   76 o  152.113   6.9206  162.565   13.971  134.647   19.415  192.544   20.119  137.986   10.524  166.241   8.9907 -0.000000 0.000000 
1 1 1   12    0   77 o   45.442   13.095   20.750   7.9808   18.547   11.149   23.065   11.430   42.152   18.590   48.732   18.449 -0.000000 0.000000 
1 1 1   12    0   78 o   41.144   9.9612   12.716   7.4870   32.161   11.038  -3.8559   10.190   62.794   14.946   19.493   13.173 -0.000000 0.000000 
1 1 1   12    0   79 o   70.949   14.785   40.060   12.532   0.0000   0.0000   40.060   12.532   70.949   14.785   70.949   14.785 -0.000000 0.000000 
1 1 1   12    0   80 o  165.483   9.6909  193.237   21.561   0.0000   0.0000  193.237   21.561  165.483   9.6909  165.483   9.6909 -0.000000 0.000000 
1 1 1   12    0   81 o   44.759   12.569   19.779   8.1592   29.582   12.104   11.613   11.046   57.041   17.848   32.478   17.701 -0.000000 0.000000 
1 1 1   12    0   82 o   41.841   11.822   17.081   8.3275   4.1697   11.802   29.881   11.751   25.819   16.204   57.864   17.219 -0.000000 0.000000 
1 1 1   12    0   83 o   87.056   9.2807   57.644   10.196   60.533   14.963   55.140   13.930   89.095   13.257   85.018   12.991 -0.000000 0.000000 
1 1 1   12    0   84 o   19.174   13.102  -5.0091   10.675  -5.0091   10.675   0.0000   0.0000   19.174   13.102   19.174   13.102 -0.000000 0.000000 
1 1 1   12    0   85 o   58.154   13.151   31.936   9.1975   35.035   12.972   28.803   13.042   62.664   17.645   53.644   19.506 -0.000000 0.000000 
1 1 1   12    0   86 o   38.447   12.215   14.646   8.6596   27.719   12.263   1.6421   12.230   52.883   18.786   24.011   15.617 -0.000000 0.000000 
1 1 1   12    0   87 o   33.318   11.915   9.2677   8.4584   23.309   12.130  -4.0226   11.801   46.157   19.331   20.480   13.934 -0.000000 0.000000 
1 1 1   12    0   88 o   46.963   13.763   24.398   9.4132   33.246   13.687   16.458   12.967   57.643   19.560   36.283   19.366 -0.000000 0.000000 
1 1 1   12    0   89 o   22.347   10.465  -0.2237   8.3742   3.5643   11.982  -3.8412   11.709   24.491   15.751   20.203   13.782 -0.000000 0.000000 
1 1 1   12    0   90 o   17.535   8.7584 -11.4467   8.2922  -5.0772   12.025 -17.2218   11.450   19.772   13.612   15.299   11.025 -0.000000 0.000000 
1 1 1   12    0   91 o   66.681   19.434   43.890   15.246   0.0000   0.0000   43.890   15.246   66.681   19.434   66.681   19.434 -0.000000 0.000000 
1 1 1   12    1    0 f  613.152   7.3674  2551.48   61.213  2568.49   87.073  2534.85   86.073  615.170   10.445  611.133   10.393 4.036804 14.73480 
1 1 1   12    1    1 o  496.307   7.2298  1657.89   41.818  1698.90   84.996  1644.80   48.034  500.118   12.541  492.497   7.1971 7.620758 14.45966 
1 1 1   12    1    2 o  388.502   6.5194  1025.07   32.330  1021.01   56.036  1027.10   39.583  387.837   10.662  389.167   7.5056 -1.329987 13.03875 
1 1 1   12    1    3 o  291.417   5.2215  575.665   20.620   0.0000   0.0000  575.665   20.620  ?   ?   291.417   5.2215      ?      ? 
1 1 1   12    1    4 o  291.635   6.3578  576.647   25.126   0.0000   0.0000  576.647   25.126  ?   ?   291.635   6.3578      ?      ? 
1 1 1   12    1    5 f  655.535   9.5144  2924.96   79.850  2935.32   98.104  2904.62  137.448  657.565   11.009  653.505   15.521 4.060242 19.02877 
1 1 1   12    1    6 o  928.155   10.549  5856.99  132.685  5887.84  188.258  5826.54  187.037  930.582   14.929  925.729   14.909 4.853149 21.09861 
1 1 1   12    1    7 o  572.670   6.9689  2225.28   54.081  2238.17   76.729  2212.56   76.238  574.318   9.8588  571.023   9.8523 3.294922 13.93785 
1 1 1   12    1    8 o  132.130   3.7683  118.345   6.7468  116.626   9.5362  120.068   9.5465  131.169   5.3649  133.091   5.2931 -1.922562 7.536572 
1 1 1   12    1    9 o  1420.71   15.768 13770.45  303.569 13806.67  430.086 13734.50  428.540  1422.57   22.310  1418.86   22.288 3.713379 31.53546 
1 1 1   12    1   10 f  809.397   11.423  4485.17  118.846  4554.58  147.094  4354.67  201.697  818.930   13.255  799.863   18.608 19.06781 22.84609 
1 1 1   12    1   11 o  583.872   8.6613  2333.46   65.048  2377.20   80.629  2251.91  110.084  591.951   10.051  575.793   14.108 16.15845 17.32266 
1 1 1   12    1   12 o  685.133   11.398  3185.33  105.824  3185.33  105.824   0.0000   0.0000  685.133   11.398  ?   ?       ?      ? 
1 1 1   12    1   13 o  247.200   5.1937  392.579   16.007  362.390   18.883  469.669   30.174  231.221   6.0263  263.180   8.4606 -31.95883 10.38741 
1 1 1   12    1   14 o  750.165   10.695  3802.10  102.013  3765.43  124.082  3878.57  179.195  744.906   12.292  755.424   17.505 -10.51880 21.38934 
1 1 1   12    1   15 o  254.657   4.2646  439.553   14.717  441.651   20.840  437.466   20.786  255.264   6.0245  254.051   6.0376 1.212280 8.529209 
1 1 1   12    1   16 o  415.104   5.5156  1167.69   31.020  1141.96   43.366  1194.66   44.391  410.422   7.7971  419.785   7.8035 -9.362244 11.03126 
1 1 1   12    1   17 o  441.533   5.7478  1321.59   34.390  1335.39   48.871  1308.05   48.402  443.816   8.1258  439.249   8.1315 4.566956 11.49567 
1 1 1   12    1   18 o  583.867   7.0703  2311.16   55.933  2273.05   78.301  2350.87   79.928  578.954   9.9802  588.780   10.018 -9.825562 14.14056 
1 1 1   12    1   19 o  378.231   5.2041  969.647   26.672  958.311   37.475  981.284   37.970  375.991   7.3549  380.471   7.3644 -4.479767 10.40812 
1 1 1   12    1   20 o  543.867   6.6911  2004.95   49.305  1966.83   68.915  2044.92   70.570  538.573   9.4425  549.160   9.4829 -10.58636 13.38225 
1 1 1   12    1   21 o  446.525   7.1172  1360.94   40.795  1324.31   69.491  1380.20   50.392  441.848   11.606  451.202   8.2415 -9.354095 14.23435 
1 1 1   12    1   22 o  357.498   6.1139  840.556   27.633  937.969   50.079  797.914   33.133  371.907   9.9365  343.089   7.1264 28.81766 12.22788 
1 1 1   12    1   23 o  635.034   7.5780  2734.77   65.208  2702.61   91.509  2767.94   92.944  631.244   10.698  638.825   10.736 -7.581177 15.15610 
1 1 1   12    1   24 o  366.845   5.1205  912.263   25.455  910.068   35.913  914.480   36.085  366.401   7.2330  367.288   7.2499 -0.8865967 10.24095 
1 1 1   12    1   25 o  782.285   9.0421  4152.74   95.852  4121.19  134.854  4184.96  136.268  779.284   12.770  785.287   12.805 -6.002991 18.08427 
1 1 1   12    1   26 o  722.239   8.4408  3538.12   82.596  3469.86  115.391  3609.85  118.280  715.100   11.908  729.378   11.967 -14.27777 16.88169 
1 1 1   12    1   27 o  478.521   8.6428  1552.76   56.045   0.0000   0.0000  1552.76   56.045  ?   ?   478.521   8.6428      ?      ? 
1 1 1   12    1   28 o  718.761   10.325  3499.63   94.676  3536.89  164.850  3481.30  115.652  721.314   16.865  716.209   11.916 5.105591 20.64977 
1 1 1   12    1   29 f  493.182   6.2655  1647.05   41.841  1578.41   57.836  1722.42   60.605  482.419   8.8469  503.945   8.8745 -21.52542 12.53100 
1 1 1   12    1   30 o  557.570   6.8652  2108.16   51.861  2063.96   72.423  2154.67   74.297  551.576   9.6892  563.564   9.7285 -11.98816 13.73043 
1 1 1   12    1   31 o  832.399   9.5768  4704.24  107.998  4816.37  154.941  4598.28  150.617  842.036   13.579  822.761   13.509 19.27435 19.15368 
1 1 1   12    1   32 o  818.166   9.4339  4547.26  104.595  4573.44  148.406  4521.42  147.438  820.505   13.347  815.827   13.336 4.677673 18.86787 
1 1 1   12    1   33 o  285.947   4.5991  554.170   17.818  543.339   24.892  565.551   25.516  283.084   6.4887  288.811   6.5195 -5.727448 9.198251 
1 1 1   12    1   34 o  565.267   8.5349  2175.71   61.600  2186.33   75.499  2154.57  106.539  567.574   9.8160  562.961   13.965 4.613037 17.06986 
1 1 1   12    1   35 o  302.845   5.7740  624.562   22.323  629.300   27.373  615.153   38.572  304.631   6.6307  301.059   9.4546 3.571960 11.54798 
1 1 1   12    1   36 o  218.089   4.2393  322.379   12.524  318.094   17.427  326.956   18.010  216.593   5.9376  219.586   6.0525 -2.993179 8.478611 
1 1 1   12    1   37 o  508.842   6.4216  1757.41   44.277  1738.06   62.178  1777.32   63.066  506.002   9.0678  511.682   9.0953 -5.680115 12.84324 
1 1 1   12    1   38 o  603.118   7.3198  2470.98   59.822  2498.90   85.059  2443.66   84.152  606.488   10.349  599.747   10.354 6.740906 14.63956 
1 1 1   12    1   39 o  170.159   4.1408  196.410   9.5460  200.159   13.454  192.610   13.547  171.797   5.7789  168.521   5.9321 3.275101 8.281614 
1 1 1   12    1   40 o  543.226   8.2851  2000.00   57.393  2030.02  100.107  1985.31   70.048  545.883   13.533  540.569   9.5623 5.314331 16.57013 
1 1 1   12    1   41 o  284.728   5.6529  547.034   20.551  560.549   35.845  540.417   25.084  287.236   9.2089  282.220   6.5587 5.015991 11.30579 
1 1 1   12    1   42 f  268.129   4.5227  487.795   16.433  485.018   23.133  490.624   23.348  267.359   6.3848  268.898   6.4073 -1.539368 9.045424 
1 1 1   12    1   43 o  522.154   6.5855  1853.33   46.598  1864.22   66.018  1842.53   65.782  523.684   9.3027  520.624   9.3240 3.060120 13.17108 
1 1 1   12    1   44 o  497.990   6.3743  1683.49   42.987  1757.99   62.139  1615.12   59.530  508.540   9.0169  487.440   9.0123 21.10025 12.74857 
1 1 1   12    1   45 o  417.567   5.6633  1184.42   32.043  1206.09   45.674  1163.42   44.965  421.328   7.9996  413.805   8.0186 7.522919 11.32655 
1 1 1   12    1   46 o  152.725   4.2499  158.010   8.7749  174.010   12.686  143.335   12.150  160.130   5.8464  145.319   6.1698 14.81058 8.499773 
1 1 1   12    1   47 o  443.000   7.2189  1336.32   40.943  1336.81   70.588  1336.07   50.261  442.695   11.766  443.305   8.3666 -0.6101074 14.43777 
1 1 1   12    1   48 o  528.841   6.6671  1903.52   47.778  1888.40   67.206  1918.97   67.936  526.721   9.4156  530.961   9.4417 -4.239990 13.33414 
1 1 1   12    1   49 o  208.822   4.3274  295.886   12.228  318.284   17.530  274.659   17.066  216.525   5.9745  201.120   6.2618 15.40465 8.654785 
1 1 1   12    1   50 o  122.260   4.3694  101.565   7.2337  105.772   10.208   97.321   10.252  124.811   6.0355  119.709   6.3196 5.102417 8.738723 
1 1 1   12    1   51 o  288.430   5.8063  562.493   21.301  555.941   25.906  576.168   37.425  286.053   6.6830  290.807   9.4967 -4.753998 11.61254 
1 1 1   12    1   52 f  222.326   5.5333  334.853   15.476  332.538   18.658  339.959   27.704  221.260   6.2227  223.392   9.1514 -2.132095 11.06661 
1 1 1   12    1   53 o  340.337   6.2924  795.401   27.415  808.982   33.804  769.304   46.860  344.924   7.2320  335.750   10.299 9.174805 12.58476 
1 1 1   12    1   54 o  334.550   5.0731  761.135   22.999  759.855   32.413  762.434   32.639  334.270   7.1556  334.831   7.1932 -0.5603027 10.14618 
1 1 1   12    1   55 o  289.657   4.7849  570.425   18.782  568.438   26.489  572.434   26.634  289.151   6.7602  290.163   6.7734 -1.012787 9.569731 
1 1 1   12    1   56 o  302.221   4.8877  621.132   20.016  630.604   28.451  611.849   28.165  304.505   6.8949  299.937   6.9295 4.567871 9.775324 
1 1 1   12    1   57 o  183.470   5.4118  224.290   12.677  243.620   22.402  215.184   15.376  189.027   8.7453  177.913   6.3774 11.11453 10.82368 
1 1 1   12    1   58 o  192.205   4.4399  251.016   11.557  238.721   16.155  263.906   16.540  187.378   6.3621  197.032   6.1948 -9.654068 8.879858 
1 1 1   12    1   59 o  354.681   5.2808  856.568   25.380  867.686   36.090  845.689   35.700  356.960   7.4607  352.403   7.4755 4.557251 10.56151 
1 1 1   12    1   60 o  206.489   4.4838  290.007   12.547  291.051   17.769  288.970   17.718  206.860   6.3389  206.118   6.3432 0.7413025 8.967609 
1 1 1   12    1   62 f  154.298   6.5296  162.076   13.653   0.0000   0.0000  162.076   13.653  ?   ?   154.298   6.5296      ?      ? 
1 1 1   12    1   63 o  234.126   9.2111  375.221   29.224  375.221   29.224   0.0000   0.0000  234.126   9.2111  ?   ?       ?      ? 
1 1 1   12    1   64 o  207.901   4.6346  293.436   13.030  320.342   19.060  269.828   17.854  216.827   6.4867  198.975   6.6214 17.85184 9.269296 
1 1 1   12    1   65 o  201.321   6.4476  276.315   17.590   0.0000   0.0000  276.315   17.590  ?   ?   201.321   6.4476      ?      ? 
1 1 1   12    1   66 o  116.802   5.9702   91.526   8.9520   87.520   10.915   99.758   15.647  113.179   7.1166  120.426   9.5879 -7.247139 11.94039 
1 1 1   12    1   67 o  206.124   6.5217  292.120   18.199  274.443   25.355  310.905   26.137  199.647   9.3716  212.602   9.0720 -12.95558 13.04331 
1 1 1   12    1   68 o  101.793   6.4809   68.274   8.4403   62.478   10.181   81.008   15.092   95.419   7.8738  108.168   10.296 -12.74890 12.96188 
1 1 1   12    1   69 o  170.315   5.7882  206.202   12.451  220.074   15.392  179.950   21.175  179.396   6.3316  161.234   9.6914 18.16258 11.57631 
1 1 1   12    1   70 o  106.390   5.1458   77.695   7.4073   83.793   10.616   71.909   10.341  110.493   7.0898  102.288   7.4600 8.205292 10.29159 
1 1 1   12    1   71 o   62.673   7.0627   27.761   5.8410   30.969   8.3429   24.677   8.1803   66.792   9.2174   58.555   10.704 8.237640 14.12543 
1 1 1   12    1   72 o   66.779   8.9849   35.391   7.1721   24.917   12.777   40.209   8.6662   57.385   15.888   76.173   8.3954 -18.78809 17.96987 
1 1 1   12    1   73 o   68.677   8.8325   39.013   7.3029   21.574   12.159   48.855   9.1341   53.409   15.735   83.945   8.0295 -30.53598 17.66493 
1 1 1   12    1   74 o  165.258   5.7074  182.902   12.124  169.079   14.723  212.022   21.369  156.462   6.9439  174.053   9.0597 -17.59076 11.41472 
1 1 1   12    1   75 o  101.971   5.2519   72.162   7.2492   67.658   10.150   76.852   10.357   98.669   7.5909  105.272   7.2601 -6.602997 10.50384 
1 1 1   12    1   76 o   49.411   7.8111   17.904   5.3866   9.8688   7.4513   26.699   7.7960   37.365   12.507   61.458   9.3608 -24.09291 15.62222 
1 1 1   12    1   77 o   40.980   8.8614   12.548   5.3836   11.920   7.7408   13.136   7.4925   40.140   12.701   41.821   12.361 -1.681015 17.72288 
1 1 1   12    1   78 o   57.501   8.8805   24.645   6.4825   27.448   11.004   23.155   8.0222   59.318   13.928   55.684   11.021 3.634605 17.76106 
1 1 1   12    1   79 o  138.459   4.8782  133.791   9.1433  142.229   13.056  125.671   12.808  142.831   6.7456  134.087   7.0488 8.744568 9.756478 
1 1 1   12    1   80 o   37.405   8.8708   10.168   5.4030   12.714   7.5097   7.4371   7.7794   40.814   12.447   33.997   12.643 6.816837 17.74159 
1 1 1   12    1   81 o   52.886   9.3117   17.880   6.6849   9.2977   7.9989   37.760   12.174   36.289   12.919   69.484   13.414 -33.19524 18.62349 
1 1 1   12    1   82 f   45.254   10.408   14.405   6.8753   10.787   8.1986   22.980   12.621   38.118   13.115   52.391   16.164 -14.27231 20.81502 
1 1 1   12    1   83 o   75.374   6.6457   41.257   6.7734   44.224   9.5866   38.300   9.5716   78.270   9.0383   72.478   9.7453 5.791992 13.29137 
1 1 1   12    1   84 o   83.311   6.3523   50.140   7.1292   43.292   9.8383   57.711   10.345   77.068   9.4203   89.554   8.5244 -12.48618 12.70467 
1 1 1   12    1   85 o   50.922   10.423   19.728   7.3224   30.162   12.873   14.736   8.9032   59.156   15.770   42.687   13.634 16.46907 20.84649 
1 1 1   12    1   86 o   32.394   8.6731   3.9052   5.9788   14.026   8.7867  -4.8211   8.1589   41.499   13.569   23.289   10.806 18.21015 17.34628 
1 1 1   12    1   87 o   32.529   9.1171   6.3581   6.0419   8.9697   8.6887   3.9129   8.4073   35.163   13.302   29.895   12.472 5.267588 18.23410 
1 1 1   12    1   88 o   44.926   8.9627   16.500   6.3368   7.1633   8.8405   26.367   9.0879   33.056   13.158   56.795   12.174 -23.73898 17.92540 
1 1 1   12    1   89 o   55.125   9.3529   26.244   6.9437   22.423   9.8967   29.948   9.7450   50.272   14.006   59.978   12.399 -9.706074 18.70588 
1 1 1   12    1   90 o   41.010   10.752   15.053   7.5945   17.750   13.387   13.774   9.2220   42.636   16.418   39.384   13.887 3.252258 21.50379 
1 1 1   12    1   91 o   84.315   9.0894   60.927   9.3267   61.275   16.245   60.756   11.391   80.312   15.488   88.317   9.5178 -8.005585 18.17889 
1 1 1   12    2    0 o  227.499   4.1375  350.864   12.755  349.804   17.984  351.937   18.095  227.153   5.8422  227.844   5.8605 -0.6909180 8.275062 
1 1 1   12    2    1 o  673.980   7.9814  3082.98   72.883  3026.96  101.887  3141.70  104.301  667.715   11.260  680.246   11.315 -12.53101 15.96283 
1 1 1   12    2    2 o  532.452   7.6275  1910.70   47.281  1951.44   96.167  1897.72   54.296  535.920   13.242  528.984   7.5743 6.935547 15.25496 
1 1 1   12    2    3 o  641.603   8.8665  2809.84   66.821  2768.46  132.905  2823.84   77.302  638.030   15.372  645.176   8.8416 -7.146301 17.73293 
1 1 1   12    2    4 o  223.209   4.7755  335.362   12.325  342.530   25.327  333.138   14.108  224.719   8.3169  221.698   4.6960 3.021561 9.551079 
1 1 1   12    2    5 o  375.054   6.0289  959.905   26.448  942.747   52.908  965.622   30.538  372.701   10.476  377.407   5.9710 -4.705841 12.05785 
1 1 1   12    2    6 o  488.763   7.2109  1647.97   41.599  1566.30   81.389  1676.86   48.399  480.240   12.506  497.286   7.1820 -17.04581 14.42172 
1 1 1   12    2    7 o  422.983   5.5893  1213.08   32.034  1193.15   44.916  1233.71   45.701  419.448   7.9022  426.518   7.9068 -7.070313 11.17863 
1 1 1   12    2    8 o  755.979   10.735  3861.41  103.313  3951.34  181.190  3818.08  125.760  762.068   17.545  749.889   12.375 12.17957 21.47060 
1 1 1   12    2    9 o  814.684   13.252  4504.82  146.084  4753.34  213.888  4287.53  199.999  835.657   18.888  793.712   18.594 41.94513 26.50459 
1 1 1   12    2   10 o  739.789   12.192  3714.95  122.222  3714.95  122.222   0.0000   0.0000  739.789   12.192  ?   ?       ?      ? 
1 1 1   12    2   11 o  241.244   4.1822  394.327   13.668  409.151   19.531  380.101   19.133  245.686   5.8663  236.802   5.9624 8.884079 8.364463 
1 1 1   12    2   12 o  120.180   3.7650   97.912   6.1277   93.394   8.6341  102.497   8.6981  117.386   5.4277  122.975   5.2194 -5.589279 7.530100 
1 1 1   12    2   13 o  202.981   3.9680  279.129   10.911  268.323   15.268  290.406   15.597  198.968   5.6625  206.995   5.5604 -8.027100 7.936093 
1 1 1   12    2   14 o  683.983   8.0504  3173.72   74.618  3166.60  105.356  3180.88  105.698  683.214   11.379  684.751   11.391 -1.537292 16.10087 
1 1 1   12    2   15 o  907.405   10.339  5589.55  127.133  5622.81  180.307  5556.67  179.285  910.089   14.620  904.721   14.623 5.368652 20.67813 
1 1 1   12    2   16 f  748.212   8.6994  3798.17   88.206  3798.60  124.696  3797.74  124.787  748.254   12.298  748.169   12.308 0.8526611E-01 17.39877 
1 1 1   12    2   17 o  420.675   6.8829  1203.12   36.855  1209.08   45.030  1191.03   64.141  422.316   7.8684  419.034   11.295 3.281189 13.76579 
1 1 1   12    2   18 o  308.233   5.8025  648.688   22.684  657.347   27.683  630.996   39.573  311.417   6.5599  305.049   9.5730 6.368195 11.60492 
1 1 1   12    2   19 o  879.418   10.034  5248.93  119.582  5270.49  169.475  5227.55  168.757  881.217   14.192  877.620   14.190 3.597046 20.06878 
1 1 1   12    2   20 o  847.253   9.7123  4852.32  111.273  4575.80  151.461  5176.57  164.014  821.144   13.611  873.362   13.858 -52.21796 19.42460 
1 1 1   12    2   21 o  391.580   5.3349  1035.99   28.262  971.389   38.699  1109.82   41.372  378.543   7.5441  404.617   7.5454 -26.07471 10.66984 
1 1 1   12    2   22 f  1279.51   14.224 11127.80  246.587 10930.57  344.430 11335.20  353.189  1267.90   20.046  1291.12   20.186 -23.22290 28.44893 
1 1 1   12    2   23 o  785.471   9.0777  4185.31   96.609  4116.15  135.139  4257.59  138.163  778.839   12.804  792.101   12.871 -13.26196 18.15544 
1 1 1   12    2   24 o  972.105   15.555  6417.57  204.907   0.0000   0.0000  6417.57  204.907  ?   ?   972.105   15.555      ?      ? 
1 1 1   12    2   25 o  330.576   6.8984  740.799   30.903   0.0000   0.0000  740.799   30.903  ?   ?   330.576   6.8984      ?      ? 
1 1 1   12    2   26 o  971.963   11.006  6412.21  144.901  6241.54  201.263  6595.88  208.786  958.558   15.494  985.369   15.636 -26.81116 22.01232 
1 1 1   12    2   27 f  520.521   6.4950  1837.50   45.813  1828.96   64.519  1846.18   65.063  519.302   9.1683  521.739   9.2023 -2.436890 12.98996 
1 1 1   12    2   28 o  484.419   6.1655  1591.42   40.473  1604.55   57.357  1578.40   57.119  486.410   8.7017  482.428   8.7370 3.981689 12.33108 
1 1 1   12    2   29 f  1000.97   11.324  6810.56  153.591  6753.90  215.801  6868.73  218.648  996.761   15.976  1005.18   16.052 -8.422852 22.64727 
1 1 1   12    2   30 o  241.637   4.2953  395.882   14.058  411.055   19.935  380.871   19.828  246.246   5.9741  237.028   6.1731 9.217239 8.590508 
1 1 1   12    2   31 o  1254.59   17.226 10894.74  279.204 11245.67  349.241 10273.22  464.781  1284.64   20.061  1224.54   28.009 60.09314 34.45203 
1 1 1   12    2   32 o  591.933   8.8494  2424.33   67.771  2541.97   85.287  2222.79  111.629  612.011   10.283  571.856   14.405 40.15485 17.69886 
1 1 1   12    2   33 o  541.049   6.7100  1985.03   49.180  2048.59   70.628  1925.21   68.523  549.451   9.4856  532.646   9.4932 16.80438 13.42004 
1 1 1   12    2   34 o  261.132   6.2184  462.356   22.005  462.356   22.005   0.0000   0.0000  261.132   6.2184  ?   ?       ?      ? 
1 1 1   12    2   35 o  445.726   5.8499  1347.86   35.332  1339.69   49.647  1356.24   50.294  444.360   8.2447  447.092   8.3011 -2.732208 11.69971 
1 1 1   12    2   36 o  509.857   7.9227  1772.16   51.558  1784.23   63.201  1748.13   89.142  512.698   9.0967  507.017   12.974 5.680450 15.84543 
1 1 1   12    2   37 o  389.050   6.6374  1027.80   32.857  1027.99   40.087  1027.42   57.354  389.243   7.5998  388.857   10.884 0.3856812 13.27475 
1 1 1   12    2   38 o  744.130   8.7193  3766.33   87.921  3807.70  125.038  3725.88  123.651  748.170   12.333  740.089   12.329 8.081177 17.43859 
1 1 1   12    2   39 o  323.156   4.8942  708.521   21.432  706.302   30.147  710.789   30.474  322.646   6.8950  323.666   6.9479 -1.019836 9.788472 
1 1 1   12    2   40 o  495.961   6.3274  1669.71   42.513  1722.47   60.995  1619.87   59.285  503.576   8.9382  488.346   8.9585 15.23077 12.65484 
1 1 1   12    2   41 o  335.884   4.9893  765.532   22.706  786.578   32.344  745.083   31.882  340.439   7.0108  331.330   7.1008 9.108368 9.978619 
1 1 1   12    2   42 o  302.480   5.8126  615.936   22.436  637.729   39.273  605.378   27.336  306.297   9.4617  298.662   6.7543 7.634674 11.62511 
1 1 1   12    2   43 o  444.217   7.2414  1350.46   41.236  1317.45   70.460  1367.65   50.855  439.767   11.823  448.668   8.3643 -8.900970 14.48280 
1 1 1   12    2   44 o  339.367   10.012  783.582   46.044  783.582   46.044   0.0000   0.0000  339.367   10.012  ?   ?       ?      ? 
1 1 1   12    2   45 o  411.205   6.8464  1143.18   35.948  1172.01   62.689  1129.05   43.880  414.768   11.153  407.641   7.9433 7.127258 13.69276 
1 1 1   12    2   46 o  509.629   6.4844  1766.71   44.782  1766.12   63.164  1767.31   63.499  509.549   9.1475  509.709   9.1931 -0.1603088 12.96881 
1 1 1   12    2   47 o  159.604   4.1998  173.026   9.0768  179.221   12.767  166.695   12.907  162.501   5.7978  156.706   6.0778 5.794342 8.399688 
1 1 1   12    2   48 o  241.517   4.4446  395.797   14.542  384.712   20.268  407.559   20.876  238.034   6.2832  245.000   6.2879 -6.965836 8.889129 
1 1 1   12    2   49 o  488.211   6.3069  1622.17   41.726  1622.16   58.905  1622.17   59.115  488.214   8.9034  488.208   8.9353 0.5889893E-02 12.61389 
1 1 1   12    2   50 o  185.436   5.2413  234.878   12.418  237.189   15.250  230.329   21.393  186.899   6.0210  183.973   8.5809 2.925293 10.48253 
1 1 1   12    2   51 o  452.154   7.4227  1421.99   43.256  1490.39   54.207  1302.09   71.772  467.935   8.5485  436.372   12.137 31.56342 14.84537 
1 1 1   12    2   52 f  258.771   4.5941  455.019   16.108  462.527   22.762  447.486   22.800  260.917   6.4375  256.626   6.5561 4.290619 9.188262 
1 1 1   12    2   53 o   62.877   8.0778   29.520   6.0869   32.722   7.3793   22.703   10.767   69.346   7.8526   56.407   14.119 12.93873 16.15562 
1 1 1   12    2   54 o  303.395   6.0171  631.545   23.260  640.724   28.526  613.336   40.178  306.986   6.8572  299.803   9.8895 7.183289 12.03425 
1 1 1   12    2   55 o  138.147   4.4602  129.723   8.3482  132.588   11.797  126.848   11.815  139.680   6.2324  136.614   6.3821 3.066742 8.920409 
1 1 1   12    2   56 o   96.000   5.0758   62.662   6.5998   59.901   9.2190   65.565   9.4525   93.828   7.2505   98.172   7.1052 -4.344025 10.15150 
1 1 1   12    2   57 o  526.425   6.7212  1891.70   47.946  1910.95   68.094  1872.76   67.522  529.085   9.4973  523.765   9.5132 5.320740 13.44248 
1 1 1   12    2   58 o   86.136   6.8285   50.145   7.4431   52.175   13.250   49.209   8.9968   87.277   11.203   84.996   7.8110 2.280930 13.65705 
1 1 1   12    2   59 o  220.499   5.6092  329.509   15.792  336.783   27.517  325.936   19.284  222.096   9.1429  218.902   6.5009 3.193527 11.21845 
1 1 1   12    2   60 o  467.834   6.2194  1494.18   39.429  1499.94   55.828  1488.45   55.696  468.736   8.7890  466.932   8.8021 1.803802 12.43875 
1 1 1   12    2   61 o  120.402   5.8444  100.258   9.0070   94.759   15.299  103.175   11.143  117.692   9.5928  123.111   6.6789 -5.419266 11.68884 
1 1 1   12    2   62 o  234.738   4.6585  375.192   14.818  374.667   20.838  375.729   21.075  234.578   6.5553  234.898   6.6208 -0.3208618 9.317049 
1 1 1   12    2   63 o  125.747   6.8879  108.413   11.737  107.122   16.611  109.700   16.585  124.990   9.8072  126.505   9.6743 -1.515121 13.77585 
1 1 1   12    2   64 o  114.661   6.0506   86.281   8.8874  101.288   15.827   79.370   10.741  121.493   9.6131  107.830   7.3504 13.66358 12.10121 
1 1 1   12    2   65 o   93.273   5.4497   59.469   6.8507   68.031   9.8684   51.504   9.5177   99.795   7.2972   86.751   8.0961 13.04491 10.89933 
1 1 1   12    2   66 o  146.136   5.7010  147.288   10.667  149.391   13.150  143.240   18.242  147.943   6.5590  144.329   9.3267 3.615021 11.40210 
1 1 1   12    2   67 o  123.189   5.8314   99.692   9.2166   91.207   11.149  118.011   16.380  115.464   7.1253  130.914   9.2332 -15.45023 11.66283 
1 1 1   12    2   68 o   89.824   5.7818   55.336   7.0295   51.866   9.7186   59.144   10.180   86.864   8.2563   92.784   8.0964 -5.920036 11.56365 
1 1 1   12    2   69 o  207.835   5.6900  292.199   14.990  283.412   18.106  311.344   26.726  203.478   6.5665  212.192   9.2943 -8.713593 11.37994 
1 1 1   12    2   70 o  187.510   4.5960  240.891   11.678  238.983   16.417  242.846   16.615  186.762   6.4867  188.257   6.5127 -1.495117 9.191930 
1 1 1   12    2   71 o   46.007   7.8327   14.833   5.3765   5.8339   7.4825   24.440   7.7307   32.768   12.357   59.246   9.6289 -26.47807 15.66536 
1 1 1   12    2   72 f   96.659   5.3625   64.506   7.0226   62.707   9.8674   66.352   9.9969   95.280   7.6422   98.038   7.5247 -2.758301 10.72492 
1 1 1   12    2   73 o  104.540   6.4616   74.453   8.5759   81.822   15.328   71.095   10.347  107.709   10.501  101.372   7.5322 6.336441 12.92319 
1 1 1   12    2   74 o  175.460   5.7739  213.378   12.916  217.187   22.498  211.506   15.774  175.831   9.4420  175.089   6.6482 0.7417297 11.54775 
1 1 1   12    2   75 o   67.343   6.6305   32.137   6.0094   35.722   8.4103   28.398   8.5898   71.384   8.6941   63.303   10.013 8.081505 13.26100 
1 1 1   12    2   76 o   62.813   8.5985   30.443   6.8524   24.511   11.112   34.082   8.7043   56.193   14.497   69.434   9.2508 -13.24095 17.19699 
1 1 1   12    2   77 o   66.112   8.1787   30.887   6.8583   27.774   8.4153   37.046   11.835   62.326   9.9635   69.897   12.973 -7.570885 16.35732 
1 1 1   12    2   78 o  107.236   5.2386   80.498   7.6016   80.543   10.478   80.448   11.045  107.362   7.2018  107.110   7.6095 0.2518845 10.47718 
1 1 1   12    2   79 o   54.743   8.0044   22.590   5.7452   19.074   7.9531   26.427   8.3083   49.916   11.922   59.570   10.685 -9.654026 16.00889 
1 1 1   12    2   80 o   87.972   7.0005   56.835   7.9076   59.078   9.8839   52.846   13.181   91.395   7.9804   84.548   11.504 6.846718 14.00101 
1 1 1   12    2   81 o   47.752   9.9060   17.527   6.5651   15.854   8.0784   20.781   11.266   45.032   12.693   50.473   15.212 -5.440346 19.81202 
1 1 1   12    2   82 o  155.923   4.9725  171.148   10.495  175.928   14.652  166.109   15.041  158.324   6.8290  153.522   7.2297 4.802124 9.945041 
1 1 1   12    2   83 o   54.581   9.5333   21.458   6.9077   14.508   8.4779   35.184   11.915   42.823   13.253   66.339   13.707 -23.51654 19.06655 
1 1 1   12    2   84 o   92.538   8.5917   61.742   10.774   0.0000   0.0000   61.742   10.774  ?   ?    92.538   8.5917      ?      ? 
1 1 1   12    2   85 o   75.203   6.8197   41.676   6.9465   40.944   9.9130   42.383   9.7371   74.438   9.8271   75.968   9.4584 -1.529243 13.63940 
1 1 1   12    2   86 o   40.743   9.0012   12.467   6.2165   21.439   8.8488   3.7238   8.7354   51.237   12.785   30.249   12.674 20.98801 18.00241 
1 1 1   12    2   87 o   59.053   9.6603   32.479   7.9183   17.818   13.381   40.380   9.8229   44.809   16.598   73.296   9.8895 -28.48680 19.32051 
1 1 1   12    2   88 o   53.760   10.557   25.866   7.7541   25.925   13.365   25.836   9.5201   52.015   16.714   55.505   12.902 -3.489422 21.11432 
1 1 1   12    2   89 o   71.498   9.9461   45.028   8.6559   41.955   15.484   46.425   10.439   65.263   17.248   77.733   9.9102 -12.46976 19.89213 
1 1 1   12    2   90 o   55.427   9.8178   30.690   8.1104   16.844   13.729   38.112   10.052   41.642   16.453   69.212   10.717 -27.57007 19.63566 
1 1 1   12    2   91 o   70.781   10.048   49.237   8.9500   35.029   14.928   57.211   11.183   56.177   17.619   85.384   9.6648 -29.20708 20.09613 
1 1 1   12    3    0 o  139.230   5.4072  131.406   10.202  131.406   10.202   0.0000   0.0000  139.230   5.4072  ?   ?       ?      ? 
1 1 1   12    3    1 o  743.039   8.6564  3748.89   87.157  3793.04  124.133  3705.96  122.401  747.351   12.257  738.726   12.227 8.625061 17.31277 
1 1 1   12    3    2 o  597.088   7.2164  2419.21   58.389  2441.25   83.000  2397.62   82.154  599.779   10.212  594.398   10.199 5.381836 14.43286 
1 1 1   12    3    3 o  304.771   5.7318  619.870   22.063  657.617   39.626  602.910   26.561  311.338   9.3921  298.204   6.5728 13.13348 11.46356 
1 1 1   12    3    4 o  714.483   9.7229  3514.12   82.088  3373.76  160.719  3563.66   95.481  704.227   16.841  724.739   9.7220 -20.51263 19.44584 
1 1 1   12    3    5 o  1152.18   14.949  9057.53  202.049  9032.85  403.608  9065.79  233.400  1149.39   25.913  1154.97   14.912 -5.588013 29.89722 
1 1 1   12    3    6 o  407.646   6.3399  1115.98   29.923  1148.64   61.480  1105.84   34.254  411.406   11.028  403.886   6.2585 7.519989 12.67983 
1 1 1   12    3    7 o  509.629   7.4021  1753.90   43.897  1778.40   89.193  1746.07   50.427  511.790   12.860  507.469   7.3329 4.320984 14.80413 
1 1 1   12    3    8 o  631.185   8.7286  2688.84   64.178  2734.56  130.285  2674.19   73.746  634.419   15.154  627.952   8.6662 6.467163 17.45724 
1 1 1   12    3    9 o  689.557   8.1199  3225.19   75.860  3294.78  108.626  3158.94  105.986  696.813   11.504  682.301   11.463 14.51233 16.23973 
1 1 1   12    3   10 o  1266.77   14.115 10916.15  242.275 11076.38  345.974 10761.96  339.378  1275.88   20.010  1257.67   19.913 18.21362 28.23000 
1 1 1   12    3   11 o  426.418   7.9327  1232.81   45.839  1232.81   45.839   0.0000   0.0000  426.418   7.9327  ?   ?       ?      ? 
1 1 1   12    3   12 o  427.466   5.6375  1238.82   32.656  1231.35   46.066  1246.36   46.300  426.172   7.9766  428.760   7.9687 -2.588593 11.27498 
1 1 1   12    3   13 o  928.315   21.057  5862.49  264.900  5862.49  264.900   0.0000   0.0000  928.315   21.057  ?   ?       ?      ? 
1 1 1   12    3   14 o  556.608   8.3099  2108.76   59.403  2124.01   73.286  2079.56  101.434  559.660   9.6630  553.555   13.522 6.104309 16.61979 
1 1 1   12    3   15 o  253.520   4.2739  435.457   14.680  425.203   20.535  446.178   20.996  250.469   6.0500  256.572   6.0386 -6.103531 8.547890 
1 1 1   12    3   16 o  605.323   7.2834  2484.82   59.743  2469.15   84.077  2500.80   84.908  603.397   10.282  607.250   10.318 -3.853699 14.56673 
1 1 1   12    3   17 o  328.898   4.8257  731.001   21.475  685.330   29.464  782.760   31.366  317.972   6.8379  339.823   6.8113 -21.85187 9.651446 
1 1 1   12    3   18 o  725.165   8.4682  3566.86   83.210  3526.64  116.787  3608.32  118.587  721.015   11.953  729.314   11.999 -8.298706 16.93641 
1 1 1   12    3   19 o  295.014   5.5574  592.195   21.140  582.892   35.783  597.183   26.202  293.203   9.0058  296.824   6.5141 -3.621002 11.11475 
1 1 1   12    3   20 o  333.031   6.9332  752.140   31.257  752.802   43.232  751.415   45.243  333.191   9.5749  332.871   10.030 0.3198242 13.86640 
1 1 1   12    3   21 o  374.857   6.4165  931.620   30.169  898.823   36.044  1008.35   55.133  364.132   7.3045  385.583   10.551 -21.45084 12.83305 
1 1 1   12    3   22 o  509.324   6.3941  1758.63   44.128  1793.36   62.898  1724.97   61.925  514.276   9.0252  504.373   9.0601 9.903229 12.78828 
1 1 1   12    3   23 o  713.195   8.3759  3445.48   80.880  3317.66  111.567  3587.06  117.420  699.282   11.773  727.108   11.917 -27.82568 16.75179 
1 1 1   12    3   24 o  784.309   9.0797  4164.99   96.379  3978.82  132.264  4375.75  140.729  765.677   12.747  802.942   12.934 -37.26532 18.15946 
1 1 1   12    3   25 o  459.213   5.9547  1427.24   37.021  1506.01   53.682  1355.79   51.124  471.274   8.4056  447.152   8.4369 24.12222 11.90947 
1 1 1   12    3   26 o  1057.21   14.606  7632.73  197.759  7538.56  339.644  7681.04  243.245  1051.42   23.838  1063.00   16.886 -11.58411 29.21264 
1 1 1   12    3   27 o  763.208   10.909  3979.01  106.869  3892.03  182.278  4024.57  131.921  756.460   17.781  769.955   12.643 -13.49518 21.81822 
1 1 1   12    3   28 o  528.020   8.0484  1912.75   54.692  1960.16   67.944  1825.48   92.177  537.559   9.3270  518.480   13.119 19.07928 16.09683 
1 1 1   12    3   29 o  412.758   6.7067  1120.54   34.880  1064.56   41.707  1250.79   63.617  396.214   7.7678  429.302   10.935 -33.08783 13.41340 
1 1 1   12    3   30 o  1103.79   12.399  8290.38  185.454  8376.77  263.886  8206.08  260.686  1109.47   17.552  1098.12   17.518 11.35242 24.79802 
1 1 1   12    3   31 o  361.379   5.1378  885.034   25.151  865.525   35.003  905.861   36.165  357.265   7.2298  365.492   7.3018 -8.227081 10.27551 
1 1 1   12    3   32 o  690.749   8.1593  3238.76   76.359  3181.86  106.633  3298.65  109.396  684.531   11.495  696.968   11.583 -12.43781 16.31860 
1 1 1   12    3   33 o  455.660   5.9555  1404.81   36.724  1332.69   50.378  1486.60   53.646  443.215   8.3877  468.104   8.4569 -24.88919 11.91103 
1 1 1   12    3   34 o  301.470   6.5915  616.325   26.928  616.325   26.928   0.0000   0.0000  301.470   6.5915  ?   ?       ?      ? 
1 1 1   12    3   35 o  308.323   4.7596  644.612   19.883  638.714   27.792  650.796   28.456  306.881   6.6829  309.766   6.7790 -2.884674 9.519184 
1 1 1   12    3   36 o  827.265   9.5556  4655.46  107.105  4583.13  149.783  4731.14  153.215  820.704   13.468  833.826   13.559 -13.12219 19.11118 
1 1 1   12    3   37 o  267.210   6.3267  484.286   22.909  484.286   22.909   0.0000   0.0000  267.210   6.3267  ?   ?       ?      ? 
1 1 1   12    3   38 o  775.429   11.117  4090.15  109.671  4067.30  133.632  4137.29  191.946  773.027   12.757  777.831   18.210 -4.803528 22.23366 
1 1 1   12    3   39 f  431.107   7.1180  1274.59   39.191  1298.32   48.222  1228.42   67.261  437.300   8.1374  424.914   11.681 12.38602 14.23600 
1 1 1   12    3   40 o  406.971   5.5539  1124.17   30.624  1154.12   43.696  1095.25   42.933  412.301   7.8206  401.640   7.8882 10.66061 11.10789 
1 1 1   12    3   41 o  262.940   5.4627  464.913   18.470  483.681   31.869  455.421   22.664  266.813   8.8141  259.066   6.4556 7.747437 10.92538 
1 1 1   12    3   42 o  269.057   5.5267  487.941   19.125  503.319   32.917  480.105   23.498  272.138   8.9259  265.975   6.5195 6.162628 11.05332 
1 1 1   12    3   43 o  246.988   4.4432  414.034   14.869  416.253   20.869  411.747   21.190  247.664   6.2181  246.311   6.3484 1.352341 8.886330 
1 1 1   12    3   44 o  484.936   7.6549  1583.86   47.181  1652.05   83.362  1551.72   57.229  492.124   12.500  477.749   8.8396 14.37531 15.30973 
1 1 1   12    3   45 o  410.106   5.6098  1142.61   31.172  1128.54   43.622  1157.31   44.560  407.530   7.8988  412.682   7.9679 -5.151733 11.21959 
1 1 1   12    3   46 o  154.773   4.2166  162.762   8.8338  170.395   12.428  154.969   12.558  158.452   5.7881  151.094   6.1333 7.357697 8.433265 
1 1 1   12    3   47 o  210.651   5.3575  310.160   14.386  329.494   17.895  274.829   24.191  220.315   5.9938  200.988   8.8816 19.32680 10.71490 
1 1 1   12    3   48 o  105.056   9.0647   75.119   12.905   0.0000   0.0000   75.119   12.905  ?   ?   105.056   9.0647      ?      ? 
1 1 1   12    3   49 o  137.150   4.3565  127.883   8.0813  137.203   11.439  118.597   11.418  142.155   5.9381  132.145   6.3763 10.01007 8.713097 
1 1 1   12    3   50 o  727.769   8.6457  3619.93   85.246  3704.47  122.122  3539.59  119.049  736.043   12.244  719.494   12.210 16.54822 17.29136 
1 1 1   12    3   51 o  255.921   4.5962  445.062   15.937  453.824   22.496  436.234   22.581  258.458   6.4229  253.384   6.5762 5.074661 9.192331 
1 1 1   12    3   52 o  287.930   4.7763  563.399   18.629  585.912   26.515  541.455   26.178  293.621   6.6638  282.238   6.8444 11.38248 9.552566 
1 1 1   12    3   53 o  199.489   4.3850  270.464   11.850  276.978   16.704  263.863   16.815  201.916   6.1046  197.061   6.2967 4.855240 8.770058 
1 1 1   12    3   54 o  224.193   4.4866  341.594   13.616  362.980   19.401  320.837   19.114  231.124   6.1944  217.262   6.4921 13.86163 8.973170 
1 1 1   12    3   55 o  151.221   5.6476  158.046   10.724  162.146   13.022  149.404   18.905  154.462   6.2213  147.980   9.4275 6.482162 11.29518 
1 1 1   12    3   56 o  156.804   4.5460  167.237   9.6551  171.997   13.592  162.389   13.718  159.067   6.3056  154.541   6.5502 4.526398 9.092034 
1 1 1   12    3   57 o  324.256   5.0713  715.470   22.281  731.515   31.659  699.724   31.363  327.867   7.1256  320.645   7.2179 7.221649 10.14260 
1 1 1   12    3   58 o  189.077   5.3966  241.602   13.133  249.525   22.571  237.547   16.149  191.254   8.7087  186.900   6.3760 4.354065 10.79324 
1 1 1   12    3   59 o  225.174   6.4931  346.396   19.807  353.403   27.887  339.262   28.138  227.499   9.0455  222.849   9.3176 4.650558 12.98614 
1 1 1   12    3   60 o  107.740   6.1432   74.979   8.4732   92.333   15.225   67.192   10.199  116.185   9.6701   99.294   7.5794 16.89154 12.28645 
1 1 1   12    3   61 o  218.836   4.6045  325.987   13.654  329.609   19.344  322.389   19.277  220.052   6.4868  217.621   6.5367 2.431091 9.209023 
1 1 1   12    3   62 o  211.829   4.5912  305.482   13.174  317.722   18.789  293.645   18.477  216.014   6.4186  207.645   6.5665 8.369797 9.182465 
1 1 1   12    3   63 o  275.335   6.8703  516.844   25.634   0.0000   0.0000  516.844   25.634  ?   ?   275.335   6.8703      ?      ? 
1 1 1   12    3   64 o  109.343   6.1130   81.376   8.6539   80.168   10.720   83.638   14.663  108.353   7.3008  110.332   9.8069 -1.978630 12.22606 
1 1 1   12    3   65 o  230.962   6.5776  363.971   20.587  363.971   20.587   0.0000   0.0000  230.962   6.5776  ?   ?       ?      ? 
1 1 1   12    3   66 o   84.426   5.7832   48.891   6.6147   49.722   9.3033   48.041   9.4069   85.167   8.0609   83.686   8.2949 1.480797 11.56649 
1 1 1   12    3   67 f   74.357   6.2070   38.194   6.2211   42.406   8.7613   33.910   8.8351   78.578   8.2278   70.136   9.2958 8.441727 12.41404 
1 1 1   12    3   68 o  278.502   4.9013  531.210   18.497  539.415   26.219  523.081   26.099  280.659   6.8936  276.345   6.9693 4.314148 9.802693 
1 1 1   12    3   69 o   87.964   5.7670   53.422   6.8523   58.131   9.6723   48.678   9.7089   91.932   7.7639   83.996   8.5296 7.935928 11.53396 
1 1 1   12    3   70 o  191.151   5.8213  256.876   14.045  265.738   17.187  239.065   24.367  196.896   6.4416  185.406   9.6983 11.48994 11.64265 
1 1 1   12    3   71 o  123.962   4.9309  105.812   8.2726  108.279   11.501  103.168   11.908  125.517   6.7615  122.408   7.1790 3.108688 9.861799 
1 1 1   12    3   72 o   92.976   5.4750   59.832   6.8937   57.626   9.7752   62.015   9.7234   91.228   7.9070   94.723   7.5750 -3.494064 10.94993 
1 1 1   12    3   73 o   69.858   6.9995   35.364   6.2885   27.184   9.0182   43.106   8.7733   60.985   11.329   78.731   8.2231 -17.74570 13.99900 
1 1 1   12    3   74 o   90.737   6.8967   59.548   7.9181   53.549   13.489   62.702   9.7805   86.455   11.514   95.019   7.5957 -8.564003 13.79333 
1 1 1   12    3   75 f   96.882   6.6324   65.054   8.1839   69.937   14.451   62.749   9.9296   98.877   10.785   94.887   7.7222 3.990158 13.26471 
1 1 1   12    3   76 o   71.038   6.4394   35.712   6.1697   40.153   8.8302   31.476   8.6239   75.508   8.6297   66.568   9.5599 8.939606 12.87878 
1 1 1   12    3   77 o   74.626   6.2410   39.443   6.2915   43.435   8.9858   35.604   8.8118   78.465   8.4508   70.787   9.1861 7.678932 12.48201 
1 1 1   12    3   78 o   72.268   7.6887   34.641   7.0053   25.350   8.5178   54.060   12.314   58.138   11.218   86.398   10.518 -28.26040 15.37741 
1 1 1   12    3   79 o   50.678   10.094   20.227   7.8863   30.388   11.046   9.6607   11.264   62.386   13.460   38.970   15.045 23.41544 20.18746 
1 1 1   12    3   80 o  164.911   5.9107  187.126   12.606  173.467   15.432  214.524   21.856  157.120   7.2478  172.702   9.3388 -15.58200 11.82135 
1 1 1   12    3   81 o  118.999   5.3379   99.989   8.5358  117.290   12.325   84.045   11.833  129.206   7.0395  108.792   8.0260 20.41335 10.67572 
1 1 1   12    3   82 o   32.899   8.6982   6.4708   5.4665   2.1691   7.8640   10.493   7.6042   28.349   11.959   37.449   12.634 -9.099993 17.39645 
1 1 1   12    3   83 o   37.233   7.9783   6.8846   5.7328  -6.0458   7.9017   21.256   8.3302   22.383   10.468   52.084   12.043 -29.70086 15.95655 
1 1 1   12    3   84 o   51.644   10.507   20.331   7.2596   16.552   8.6477   29.350   13.360   45.225   13.255   58.063   16.307 -12.83794 21.01464 
1 1 1   12    3   85 o  106.870   5.7455   82.278   8.3161   80.643   11.531   84.050   12.005  105.832   8.0401  107.909   8.2096 -2.077324 11.49092 
1 1 1   12    3   86 o   63.138   9.6835   34.999   7.9789   25.300   13.166   40.629   10.031   52.676   16.551   73.601   10.057 -20.92509 19.36708 
1 1 1   12    3   87 o   35.832   9.8900   9.0628   7.2950   1.8409   12.208   13.073   9.0978   31.926   14.163   39.739   13.807 -7.812843 19.77998 
1 1 1   12    3   88 o   77.258   9.9626   45.580   10.430   0.0000   0.0000   45.580   10.430  ?   ?    77.258   9.9626      ?      ? 
1 1 1   12    3   89 o   46.921   10.253   21.627   7.8116   11.882   13.519   26.512   9.5712   38.343   15.890   55.499   12.961 -17.15566 20.50551 
1 1 1   12    3   90 f   44.465   11.323   19.676   9.2433   11.516   13.225   27.469   12.925   37.240   15.598   51.689   16.418 -14.44852 22.64585 
1 1 1   12    4    0 o  364.591   5.1142  900.753   25.260  928.451   36.224  874.534   35.243  370.044   7.2236  359.138   7.2414 10.90594 10.22832 
1 1 1   12    4    1 o  674.661   9.8199  3081.89   84.262  3120.32  147.667  3063.34  102.608  677.484   16.084  671.839   11.270 5.644592 19.63978 
1 1 1   12    4    2 o  671.077   9.7771  3059.15   83.667  3057.37  145.411  3060.04  102.297  670.658   16.000  671.495   11.242 -0.8368530 19.55429 
1 1 1   12    4    3 o  523.832   9.3493  1862.22   66.349  1916.26   95.059  1810.88   92.652  531.240   13.204  516.424   13.239 14.81659 18.69857 
1 1 1   12    4    4 o  339.287   5.7589  784.094   22.667  773.810   45.958  787.399   26.057  337.741   10.041  340.832   5.6415 -3.090393 11.51772 
1 1 1   12    4    5 o  764.734   12.639  3976.54  130.980  4009.25  185.935  3944.31  184.540  767.857   17.869  761.611   17.880 6.246399 25.27850 
1 1 1   12    4    6 o  735.804   12.230  3679.93  121.937  3654.15  171.483  3706.29  173.424  733.203   17.259  738.404   17.331 -5.201904 24.45911 
1 1 1   12    4    7 f  688.041   11.558  3216.35  107.767  3219.56  152.253  3213.14  152.560  688.388   16.321  687.695   16.370 0.6928101 23.11647 
1 1 1   12    4    8 o  462.341   8.5452  1450.35   53.536  1470.67   76.004  1430.35   75.422  465.556   12.047  459.127   12.122 6.428802 17.09042 
1 1 1   12    4    9 o  274.762   6.4969  511.762   24.184  505.372   33.719  518.530   34.704  272.998   9.1145  276.526   9.2610 -3.527618 12.99389 
1 1 1   12    4   10 o  786.597   12.937  4204.98  137.904  4188.01  194.271  4222.21  195.788  785.003   18.262  788.192   18.330 -3.189331 25.87496 
1 1 1   12    4   11 o  870.635   14.147  5154.09  166.905  5134.66  235.203  5173.79  236.885  868.988   19.973  872.283   20.040 -3.295105 28.29357 
1 1 1   12    4   12 o  548.107   9.5611  2037.17   71.016   0.0000   0.0000  2037.17   71.016  ?   ?   548.107   9.5611      ?      ? 
1 1 1   12    4   13 o  521.493   7.8983  1842.51   52.824  1851.23   90.892  1838.06   64.912  522.335   12.841  520.651   9.2002 1.684143 15.79653 
1 1 1   12    4   14 o  545.312   8.1841  2021.51   57.335  2003.33   97.962  2030.97   70.711  543.345   13.304  547.280   9.5344 -3.934326 16.36810 
1 1 1   12    4   15 o  590.458   7.1512  2363.13   57.206  2423.89   81.976  2305.46   79.869  597.852   10.118  583.065   10.108 14.78693 14.30240 
1 1 1   12    4   16 o  688.829   8.1174  3210.52   75.671  3062.25  103.804  3378.67  110.545  671.905   11.401  705.754   11.559 -33.84894 16.23488 
1 1 1   12    4   17 o  688.262   9.9091  3228.56   87.627  3172.00  149.344  3258.26  108.213  683.460   16.125  693.064   11.522 -9.604065 19.81814 
1 1 1   12    4   18 o  569.763   9.7573  2199.53   75.273  2300.55  109.153  2107.93  103.942  582.213   13.835  557.312   13.763 24.90106 19.51454 
1 1 1   12    4   19 o  963.107   13.327  6227.74  162.488  6093.84  196.300  6519.17  289.591  947.377   15.290  978.837   21.832 -31.46063 26.65379 
1 1 1   12    4   20 o  248.751   5.9987  419.395   20.221  419.395   20.221   0.0000   0.0000  248.751   5.9987  ?   ?       ?      ? 
1 1 1   12    4   21 o  371.555   5.1922  934.334   26.121  896.898   36.053  975.695   37.897  363.735   7.3144  379.375   7.3714 -15.64011 10.38448 
1 1 1   12    4   22 f  376.303   6.4817  952.152   30.738  938.538   37.043  982.248   55.077  372.077   7.3467  380.529   10.681 -8.451874 12.96342 
1 1 1   12    4   23 o  976.106   15.622  6472.29  206.641  6472.29  206.641   0.0000   0.0000  976.106   15.622  ?   ?       ?      ? 
1 1 1   12    4   24 o  1023.80   14.127  7056.12  183.197  6919.97  221.553  7350.44  325.748  1009.12   16.201  1038.47   23.148 -29.34576 28.25406 
1 1 1   12    4   25 o  925.800   10.550  5802.34  132.098  5497.22  180.120  6157.46  194.316  899.579   14.775  952.021   15.062 -52.44226 21.09912 
1 1 1   12    4   26 o  572.191   7.0008  2221.10   54.284  2227.55   76.705  2214.63   76.833  573.025   9.8780  571.357   9.9233 1.667603 14.00169 
1 1 1   12    4   27 o  506.781   6.3981  1742.04   43.938  1738.13   61.821  1746.03   62.459  506.209   9.0120  507.353   9.0845 -1.144073 12.79626 
1 1 1   12    4   28 o  390.488   6.6086  1037.55   33.050  1024.74   56.779  1044.12   40.646  388.581   10.783  392.394   7.6438 -3.813141 13.21720 
1 1 1   12    4   29 o  187.984   5.0813  241.576   12.233  233.560   20.902  245.753   15.087  185.569   8.3118  190.399   5.8474 -4.830460 10.16259 
1 1 1   12    4   30 o  561.026   6.9020  2135.51   52.468  2114.40   73.572  2157.37   74.847  558.207   9.7260  563.844   9.7956 -5.637268 13.80395 
1 1 1   12    4   31 o  565.627   6.9549  2171.07   53.305  2153.77   74.797  2188.92   75.986  563.341   9.7978  567.912   9.8734 -4.570313 13.90974 
1 1 1   12    4   32 o  218.597   5.8918  323.980   17.453  323.980   17.453   0.0000   0.0000  218.597   5.8918  ?   ?       ?      ? 
1 1 1   12    4   33 o  257.868   4.4348  451.062   15.492  461.212   21.809  440.724   22.010  260.801   6.1709  254.936   6.3710 5.864944 8.869602 
1 1 1   12    4   34 o  356.214   7.2934  860.756   35.207   0.0000   0.0000  860.756   35.207  ?   ?   356.214   7.2934      ?      ? 
1 1 1   12    4   35 o  244.625   6.0996  405.826   20.220  405.826   20.220   0.0000   0.0000  244.625   6.0996  ?   ?       ?      ? 
1 1 1   12    4   36 o  306.732   4.7712  636.730   19.808  604.293   27.242  673.117   28.854  298.464   6.7355  315.001   6.7594 -16.53687 9.542381 
1 1 1   12    4   37 o  351.038   7.1771  836.166   34.142  836.166   34.142   0.0000   0.0000  351.038   7.1771  ?   ?       ?      ? 
1 1 1   12    4   38 o  270.075   5.4475  483.170   18.901  532.178   33.081  459.420   23.029  279.928   8.7207  260.223   6.5307 19.70554 10.89494 
1 1 1   12    4   39 o  339.041   5.0581  777.354   23.197  725.537   31.737  836.792   33.991  326.953   7.1631  351.129   7.1435 -24.17560 10.11630 
1 1 1   12    4   40 o  344.246   6.2981  809.141   27.497  816.504   33.524  794.002   48.070  346.825   7.1328  341.667   10.382 5.157745 12.59630 
1 1 1   12    4   41 o  544.893   6.8047  2018.88   50.245  2021.71   70.866  2016.01   71.251  545.284   9.5902  544.501   9.6562 0.7837524 13.60938 
1 1 1   12    4   42 o  603.589   7.3660  2479.15   60.246  2513.88   85.668  2445.15   84.742  607.775   10.401  599.402   10.433 8.373596 14.73199 
1 1 1   12    4   43 o  260.035   4.5419  459.046   16.002  463.794   22.496  454.183   22.767  261.401   6.3506  258.668   6.4949 2.732880 9.083724 
1 1 1   12    4   44 o  438.189   5.8926  1303.51   34.965  1373.50   50.391  1238.53   48.556  449.527   8.2721  426.850   8.3942 22.67691 11.78517 
1 1 1   12    4   45 o  225.011   6.1727  344.036   18.814  356.634   27.054  332.238   26.182  228.998   8.7179  221.024   8.7412 7.973358 12.34548 
1 1 1   12    4   46 o  276.646   5.7051  517.633   20.206  528.449   35.020  512.236   24.739  278.652   9.2741  274.640   6.6472 4.012085 11.41028 
1 1 1   12    4   47 o  198.228   4.3178  266.220   11.586  251.862   15.977  282.145   16.826  192.602   6.1215  203.854   6.0910 -11.25211 8.635536 
1 1 1   12    4   48 o  441.502   5.9117  1326.10   35.369  1329.87   49.888  1322.29   50.152  442.141   8.3262  440.863   8.3946 1.277252 11.82349 
1 1 1   12    4   49 o  521.681   6.6357  1853.62   46.906  1833.99   65.775  1873.93   66.910  518.880   9.3543  524.482   9.4141 -5.601807 13.27134 
1 1 1   12    4   50 o  314.398   4.9495  671.795   21.083  691.847   29.972  652.157   29.661  319.051   6.9323  309.746   7.0664 9.305389 9.899033 
1 1 1   12    4   51 o  204.629   4.4025  284.492   12.206  286.505   17.139  282.421   17.387  205.369   6.1585  203.888   6.2930 1.480728 8.805051 
1 1 1   12    4   52 f  144.831   4.4510  142.792   8.7042  157.521   12.355  128.277   12.265  152.280   5.9872  137.383   6.5878 14.89702 8.901976 
1 1 1   12    4   53 o  100.357   4.8603   68.542   6.6038   70.598   9.2416   66.396   9.4400  101.906   6.6922   98.809   7.0500 3.096596 9.720525 
1 1 1   12    4   54 o  108.375   4.8479   79.882   7.1181   80.400   9.9778   79.345   10.158  108.738   6.7713  108.013   6.9397 0.7253265 9.695820 
1 1 1   12    4   55 o  271.944   5.8533  495.503   20.179  480.862   24.369  527.450   35.996  265.907   6.7627  277.980   9.5555 -12.07224 11.70652 
1 1 1   12    4   56 o  201.495   9.2031  277.065   25.129   0.0000   0.0000  277.065   25.129  ?   ?   201.495   9.2031      ?      ? 
1 1 1   12    4   57 o  458.192   7.5663  1438.85   44.239  1442.74   54.183  1431.06   76.619  459.906   8.6939  456.478   12.386 3.427490 15.13270 
1 1 1   12    4   58 o  137.538   4.5928  128.755   8.5434  139.067   12.157  118.693   12.009  143.000   6.2733  132.076   6.7097 10.92485 9.185542 
1 1 1   12    4   59 o   51.993   7.7936   18.978   5.4377   14.444   7.6002   23.733   7.7833   45.082   12.161   58.904   9.7507 -13.82244 15.58725 
1 1 1   12    4   60 o  289.057   4.8919  568.998   19.161  564.836   26.913  573.276   27.287  287.990   6.8960  290.124   6.9404 -2.134003 9.783855 
1 1 1   12    4   61 o  187.846   5.5775  232.168   13.441  267.491   23.789  215.604   16.290  197.784   8.8757  177.909   6.7569 19.87517 11.15499 
1 1 1   12    4   62 o  133.141   6.6857  121.343   12.051  124.515   17.512  118.490   16.609  134.771   9.5887  131.512   9.3194 3.259003 13.37144 
1 1 1   12    4   63 o  188.742   4.5567  242.823   11.651  250.217   16.506  235.479   16.449  191.621   6.3564  185.862   6.5308 5.758240 9.113469 
1 1 1   12    4   64 o  213.931   4.6086  311.846   13.337  338.366   19.182  287.024   18.557  222.763   6.3543  205.100   6.6768 17.66299 9.217229 
1 1 1   12    4   65 f  121.435   4.8570  100.743   7.9920  100.855   11.232  100.628   11.374  121.510   6.8212  121.359   6.9162 0.1510696 9.713995 
1 1 1   12    4   66 o  188.652   4.6266  243.161   11.811  260.568   16.847  226.337   16.563  195.334   6.3646  181.971   6.7166 13.36304 9.253191 
1 1 1   12    4   67 o  186.704   4.6292  238.445   11.707  246.750   16.570  230.168   16.543  189.980   6.4363  183.429   6.6552 6.551331 9.258408 
1 1 1   12    4   68 f  129.300   4.8363  114.474   8.4658  107.577   11.808  121.768   12.144  125.271   6.9559  133.329   6.7211 -8.057838 9.672530 
1 1 1   12    4   69 o  147.518   4.7299  149.199   9.4538  145.408   13.266  153.112   13.476  145.605   6.7230  149.431   6.6550 -3.825729 9.459829 
1 1 1   12    4   70 o   81.419   5.9682   45.898   6.4885   36.212   8.9445   56.658   9.4266   72.198   9.1421   90.640   7.6746 -18.44144 11.93637 
1 1 1   12    4   71 o  287.887   7.1882  581.186   28.028  605.536   39.792  557.212   39.484  294.042   9.9864  281.733   10.342 12.30893 14.37650 
1 1 1   12    4   72 o  138.292   6.9970  134.337   13.101  134.116   18.146  134.577   18.934  138.277   9.6838  138.307   10.102 -0.2952576E-01 13.99402 
1 1 1   12    4   73 o  115.537   5.0821   92.390   7.9558   92.134   11.151   92.655   11.354  115.393   7.1313  115.681   7.2426 -0.2878799 10.16418 
1 1 1   12    4   74 o   65.060   7.0121   30.411   5.9427   24.249   8.2468   37.068   8.5712   57.414   11.000   72.705   8.6995 -15.29081 14.02420 
1 1 1   12    4   75 o   79.638   6.0013   44.601   6.4649   47.523   9.1351   41.669   9.1505   82.353   8.1857   76.923   8.7781 5.429405 12.00254 
1 1 1   12    4   76 o   69.336   9.2571   35.738   8.4592   45.251   12.646   28.035   11.380   78.689   11.859   59.983   14.217 18.70602 18.51411 
1 1 1   12    4   77 o   59.044   8.8104   26.461   6.7245   27.058   8.4634   25.439   11.074   61.298   10.189   56.790   14.377 4.508518 17.62086 
1 1 1   12    4   78 o   85.786   5.8297   52.050   6.7744   50.070   9.5127   54.088   9.6497   84.085   8.3484   87.488   8.1393 -3.402565 11.65948 
1 1 1   12    4   79 o   36.288   9.0054   9.3313   5.4847   9.9046   7.7811   8.7651   7.7322   37.026   12.775   35.550   12.696 1.475727 18.01079 
1 1 1   12    4   80 o  116.360   5.4245   95.554   8.4467   77.017   11.635  116.211   12.282  104.065   8.2505  128.656   7.0447 -24.59155 10.84891 
1 1 1   12    4   81 o  122.759   5.3158  106.535   8.8313   99.562   12.390  113.738   12.591  118.541   7.7127  126.977   7.3176 -8.435585 10.63167 
1 1 1   12    4   82 o   40.128   10.181   12.069   6.8307   11.006   12.024   12.575   8.3001   39.985   15.514   40.272   13.189 -0.2865868 20.36294 
1 1 1   12    4   83 o  131.079   7.4803  127.868   13.255  118.980   18.791  136.673   18.702  126.068   10.999  136.089   10.141 -10.02048 14.96050 
1 1 1   12    4   84 o   48.803   10.352   20.091   7.2910   19.182   12.045   20.616   9.1596   47.357   15.902   50.249   13.259 -2.891754 20.70418 
1 1 1   12    4   85 o   87.624   9.8531   60.751   10.943   39.985   14.398   89.156   16.839   67.596   15.972  107.653   11.543 -40.05741 19.70620 
1 1 1   12    4   86 o   32.886   9.3594   5.7786   6.8958  -2.8590   11.245   10.985   8.7300   28.377   12.992   37.395   13.476 -9.017567 18.71889 
1 1 1   12    4   87 o   53.012   10.478   25.383   7.7044   23.689   13.109   26.277   9.5227   49.920   16.586   56.104   12.807 -6.183575 20.95525 
1 1 1   12    4   88 o   79.118   10.324   54.880   10.736   65.416   15.455   45.053   14.926   88.855   12.835   69.380   16.174 19.47459 20.64775 
1 1 1   12    4   89 o   22.377   10.937 -14.3946   10.984   0.0000   0.0000 -14.3946   10.984  ?   ?    22.377   10.937      ?      ? 
1 1 1   12    4   90 o   41.327   10.835   14.972   9.2815   1.1469   13.203   28.477   13.050   30.660   14.052   51.994   16.495 -21.33404 21.66917 
1 1 1   12    5    0 f  238.693   8.0759  386.297   26.122  386.297   26.122   0.0000   0.0000  238.693   8.0759  ?   ?       ?      ? 
1 1 1   12    5    1 o  453.843   7.1470  1397.83   41.724  1394.58   71.222  1399.53   51.484  453.367   11.593  454.319   8.3624 -0.9513245 14.29402 
1 1 1   12    5    2 o  679.881   11.373  3135.96  104.784   0.0000   0.0000  3135.96  104.784  ?   ?   679.881   11.373      ?      ? 
1 1 1   12    5    3 f  668.502   11.220  3031.66  101.644   0.0000   0.0000  3031.66  101.644  ?   ?   668.502   11.220      ?      ? 
1 1 1   12    5    4 o  347.141   10.329  817.327   48.592   0.0000   0.0000  817.327   48.592  ?   ?   347.141   10.329      ?      ? 
1 1 1   12    5    5 o  359.085   10.498  874.545   51.086   0.0000   0.0000  874.545   51.086  ?   ?   359.085   10.498      ?      ? 
1 1 1   12    5    6 o  855.540   13.970  4972.65  161.895  4841.00  224.874  5114.31  233.265  843.807   19.666  867.272   19.848 -23.46466 27.94071 
1 1 1   12    5    7 o  682.618   11.511  3164.26  106.477  3137.04  149.557  3192.24  151.627  679.645   16.238  685.591   16.320 -5.945496 23.02252 
1 1 1   12    5    8 o  375.929   7.5790  958.519   38.608  959.643   54.325  957.372   54.879  376.154   10.657  375.704   10.779 0.4497070 15.15800 
1 1 1   12    5    9 o  772.245   12.757  4051.23  133.486  4113.86  190.281  3990.54  187.310  778.120   18.045  766.370   18.036 11.75037 25.51337 
1 1 1   12    5   10 o  404.844   7.8977  1111.72   43.326  1114.79   61.029  1108.61   61.519  405.409   11.109  404.279   11.229 1.129944 15.79537 
1 1 1   12    5   11 o  737.058   12.255  3687.44  122.357  3596.04  170.035  3785.60  176.208  727.602   17.245  746.515   17.418 -18.91296 24.51083 
1 1 1   12    5   12 o  261.412   6.4643  463.477   22.893  473.297   32.251  453.502   32.503  264.206   9.0077  258.617   9.2743 5.589355 12.92868 
1 1 1   12    5   13 o  627.628   10.743  2674.23   91.371  2688.16  129.249  2660.32  129.188  629.264   15.157  625.991   15.229 3.273376 21.48611 
1 1 1   12    5   14 o  574.863   8.6601  2258.57   63.816  2190.28  108.915  2294.27   78.749  568.075   14.148  581.651   9.9908 -13.57556 17.32012 
1 1 1   12    5   15 o  1324.24   14.730 11925.65  264.326 12008.78  375.410 11843.91  372.237  1328.82   20.848  1319.67   20.815 9.145752 29.45985 
1 1 1   12    5   16 o  584.615   7.1087  2316.55   56.302  2381.96   80.701  2254.53   78.589  592.651   10.048  576.579   10.058 16.07129 14.21744 
1 1 1   12    5   17 o  290.028   8.8796  570.349   34.899   0.0000   0.0000  570.349   34.899  ?   ?   290.028   8.8796      ?      ? 
1 1 1   12    5   18 o  349.364   6.0822  836.587   27.361  857.566   34.012  798.108   46.063  355.678   7.0565  343.049   9.9085 12.62878 12.16439 
1 1 1   12    5   19 o  577.672   8.5433  2203.31   62.078  2107.29   74.217  2426.98  113.269  557.420   9.8252  597.924   13.979 -40.50385 17.08664 
1 1 1   12    5   20 o  657.716   7.8222  2932.09   69.687  3032.14  100.352  2838.92   96.845  668.540   11.077  646.891   11.048 21.64978 15.64432 
1 1 1   12    5   21 o  550.813   6.8077  2054.68   50.777  2149.32   73.473  1968.17   70.253  562.936   9.6313  538.691   9.6238 24.24475 13.61538 
1 1 1   12    5   22 o  290.619   6.3492  572.309   24.994  553.592   34.774  592.315   35.950  285.707   8.9814  295.531   8.9767 -9.823730 12.69830 
1 1 1   12    5   23 o  883.644   12.396  5366.63  141.212  5501.29  175.797  5121.73  237.083  899.955   14.415  867.333   20.171 32.62213 24.79242 
1 1 1   12    5   24 o  397.732   6.8152  1089.68   34.456  1123.00   42.337  1024.31   59.296  406.962   7.6769  388.502   11.263 18.45984 13.63035 
1 1 1   12    5   25 o  537.283   6.6825  1957.68   48.645  1929.01   67.969  1987.78   69.651  533.254   9.4058  541.311   9.4950 -8.056824 13.36506 
1 1 1   12    5   26 f  428.003   5.7040  1241.77   33.074  1219.94   46.099  1264.94   47.479  424.130   8.0207  431.877   8.1125 -7.746918 11.40808 
1 1 1   12    5   27 o   90.802   4.5499   56.538   5.5276   65.345   7.7028   47.188   7.9367   98.180   5.7895   83.423   7.0206 14.75721 9.099832 
1 1 1   12    5   28 o  584.003   7.1374  2313.01   56.466  2389.42   81.035  2240.90   78.726  593.373   10.078  574.632   10.110 18.74042 14.27475 
1 1 1   12    5   29 o  727.527   8.5534  3587.12   84.232  3773.49  122.696  3421.00  115.842  745.353   12.147  709.702   12.045 35.65094 17.10686 
1 1 1   12    5   30 f  210.202   5.1402  287.386   13.772  335.523   24.771  265.849   16.569  222.393   8.2195  198.012   6.1748 24.38057 10.28046 
1 1 1   12    5   31 o  566.487   6.9723  2176.60   53.501  2257.15   76.951  2101.23   74.434  576.625   9.8478  556.350   9.8728 20.27515 13.94457 
1 1 1   12    5   32 o  509.145   6.4484  1757.42   44.464  1837.04   64.133  1683.73   61.701  520.237   9.0970  498.052   9.1418 22.18506 12.89684 
1 1 1   12    5   33 o  429.685   5.7373  1252.42   33.400  1231.78   46.621  1274.19   47.873  426.053   8.0748  433.318   8.1526 -7.264740 11.47469 
1 1 1   12    5   34 o  197.691   4.9599  259.210   12.735  285.495   21.764  245.527   15.703  205.111   7.8303  190.270   6.0902 14.84090 9.919867 
1 1 1   12    5   35 o  265.923   5.4361  474.928   18.670  496.221   31.948  463.884   23.008  270.341   8.7207  261.504   6.4926 8.836334 10.87214 
1 1 1   12    5   36 o  310.411   4.8209  653.594   20.265  687.586   28.918  620.793   28.407  318.346   6.7034  302.475   6.9303 15.87109 9.641765 
1 1 1   12    5   37 o  589.589   7.2174  2361.42   57.641  2305.20   80.095  2421.81   83.015  582.326   10.150  596.852   10.264 -14.52582 14.43484 
1 1 1   12    5   38 o  199.676   4.2298  270.730   11.434  277.854   15.953  263.205   16.395  202.386   5.8168  196.966   6.1426 5.420532 8.459701 
1 1 1   12    5   39 o  608.069   7.4010  2515.05   60.979  2494.35   85.500  2536.47   86.995  605.535   10.419  610.604   10.514 -5.068787 14.80204 
1 1 1   12    5   40 o  181.872   4.2034  224.285   10.352  220.923   14.314  227.971   14.988  180.449   5.8538  183.296   6.0339 -2.847870 8.406794 
1 1 1   12    5   41 o  710.094   11.904  3436.67  114.545  3436.67  114.545   0.0000   0.0000  710.094   11.904  ?   ?       ?      ? 
1 1 1   12    5   42 o  365.981   7.3988  909.743   36.695  909.743   36.695   0.0000   0.0000  365.981   7.3988  ?   ?       ?      ? 
1 1 1   12    5   43 o  236.177   4.4437  377.588   14.202  356.686   19.489  401.257   20.739  229.227   6.2740  243.127   6.2946 -13.89902 8.887383 
1 1 1   12    5   44 o  245.918   4.4779  410.724   14.917  422.360   21.039  398.961   21.153  249.430   6.2243  242.406   6.4394 7.024231 8.955878 
1 1 1   12    5   45 o  202.480   4.3077  278.247   11.815  275.423   16.451  281.255   16.980  201.423   6.0272  203.537   6.1563 -2.113098 8.615462 
1 1 1   12    5   46 o  289.564   4.7688  569.582   18.712  572.636   26.366  566.482   26.560  290.351   6.7011  288.777   6.7870 1.573669 9.537665 
1 1 1   12    5   47 o  317.760   6.0366  667.603   24.326  741.896   43.772  634.405   29.260  329.976   9.7889  305.544   7.0668 24.43146 12.07318 
1 1 1   12    5   48 o  410.839   5.6667  1147.79   31.542  1129.42   44.058  1167.10   45.178  407.475   7.9789  414.203   8.0488 -6.727966 11.33342 
1 1 1   12    5   49 o  322.413   4.9982  706.430   21.831  731.650   31.125  682.007   30.629  328.086   7.0006  316.741   7.1359 11.34555 9.996441 
1 1 1   12    5   50 o  436.957   5.9103  1299.85   34.996  1309.22   49.481  1290.47   49.503  438.540   8.3261  435.374   8.3905 3.166687 11.82053 
1 1 1   12    5   51 o  259.513   5.7804  459.884   18.985  462.425   23.082  454.573   33.377  260.847   6.5299  258.180   9.5399 2.666992 11.56073 
1 1 1   12    5   52 o  177.597   5.6550  222.432   12.814  189.901   21.247  241.031   16.065  166.864   9.3963  188.330   6.2948 -21.46574 11.30996 
1 1 1   12    5   53 o  249.994   5.6750  424.183   18.149  429.839   31.440  421.357   22.227  251.036   9.2420  248.952   6.5884 2.084259 11.34999 
1 1 1   12    5   54 o  250.524   5.6334  418.693   18.094  454.255   31.697  401.503   22.037  258.064   9.0636  242.984   6.6927 15.07982 11.26681 
1 1 1   12    5   55 o   80.248   5.7879   43.881   6.2878   41.288   8.8254   46.554   8.9607   77.831   8.3676   82.666   7.9989 -4.834991 11.57582 
1 1 1   12    5   56 f  225.912   4.5790  347.115   14.015  357.285   19.869  337.046   19.770  229.215   6.3967  222.608   6.5537 6.607025 9.157985 
1 1 1   12    5   57 o   91.752   6.8439   58.710   7.7629   60.526   9.3287   54.620   13.999   94.278   7.3018   89.225   11.578 5.053291 13.68773 
1 1 1   12    5   58 o  122.095   6.0772   99.661   9.3069   96.389   11.129  107.274   16.975  118.989   6.9018  125.201   10.005 -6.212738 12.15443 
1 1 1   12    5   59 o  123.822   5.7943  104.612   9.2535  104.563   11.450  104.704   15.711  123.917   6.8188  123.727   9.3700 0.1894302 11.58853 
1 1 1   12    5   60 o  161.433   4.6625  177.398   10.197  174.696   14.202  180.272   14.648  160.171   6.5432  162.695   6.6441 -2.523804 9.325079 
1 1 1   12    5   61 o  183.849   4.5798  230.176   11.402  242.321   16.277  218.477   15.977  188.625   6.3680  179.072   6.5837 9.552277 9.159510 
1 1 1   12    5   62 o  183.803   5.6044  226.761   13.145  243.290   23.183  218.928   15.959  188.398   9.0803  179.208   6.5715 9.190216 11.20878 
1 1 1   12    5   63 o  169.111   5.6452  192.688   12.156  204.517   21.476  187.111   14.746  172.602   9.1817  165.620   6.5703 6.981827 11.29040 
1 1 1   12    5   64 o  195.330   4.5674  260.370   12.089  264.487   17.171  256.323   17.023  196.866   6.4363  193.794   6.4822 3.071808 9.134774 
1 1 1   12    5   65 o   41.935   8.6355   12.274   5.3751   16.696   7.6818   8.0320   7.5238   48.062   11.866   35.807   12.550 12.25496 17.27102 
1 1 1   12    5   66 o  116.428   4.9303   92.812   7.7753   89.228   10.951   96.455   11.041  114.143   7.0800  118.714   6.8634 -4.570892 9.860632 
1 1 1   12    5   67 o  100.029   5.2495   68.684   7.1132   71.196   10.116   66.227   10.004  101.854   7.3289   98.203   7.5177 3.651108 10.49895 
1 1 1   12    5   68 o   61.242   7.2842   26.525   5.8076   33.656   8.4768   20.218   7.9727   69.733   8.9704   52.750   11.479 16.98270 14.56849 
1 1 1   12    5   69 o   39.428   9.5886   9.0499   5.9559   15.110   10.467   6.1483   7.2427   45.983   14.793   32.873   12.204 13.10914 19.17720 
1 1 1   12    5   70 o   74.006   6.3630   38.111   6.3785   37.984   9.1464   38.230   8.8999   73.856   9.1387   74.156   8.8564 -0.2995453 12.72600 
1 1 1   12    5   71 o  105.768   5.1980   77.323   7.4465   80.373   10.560   74.305   10.502  107.879   7.2234  103.657   7.4765 4.222191 10.39597 
1 1 1   12    5   72 o  109.385   5.2324   82.995   7.7453   85.921   10.810   79.908   11.102  111.446   7.1581  107.324   7.6338 4.122192 10.46484 
1 1 1   12    5   73 o   78.135   7.5025   41.702   7.4690   38.500   8.9935   48.819   13.409   74.043   8.9631   82.226   12.034 -8.182434 15.00494 
1 1 1   12    5   74 o   51.895   9.5577   20.179   6.4989   19.361   7.9296   21.852   11.342   50.811   11.751   52.978   15.077 -2.167107 19.11534 
1 1 1   12    5   75 o   27.753   8.1526   2.0556   5.0565   1.0279   7.0017   3.1758   7.3103   26.463   11.230   29.044   11.822 -2.581022 16.30519 
1 1 1   12    5   76 o   84.403   5.8254   49.918   6.6361   44.225   9.0355   56.585   9.7782   79.135   8.4256   89.672   8.0467 -10.53744 11.65080 
1 1 1   12    5   77 o   80.443   8.2270   51.009   7.8511   39.559   13.372   57.032   9.6987   70.941   14.402   89.944   7.9571 -19.00340 16.45400 
1 1 1   12    5   78 o   44.477   8.8128   15.288   5.6252   11.779   7.9772   18.758   7.9333   39.586   12.928   49.368   11.980 -9.781849 17.62561 
1 1 1   12    5   79 o   95.807   5.5977   64.961   7.2651   67.308   10.402   62.726   10.151   97.519   7.8714   94.095   7.9609 3.423759 11.19536 
1 1 1   12    5   80 o   69.965   6.7311   35.474   6.3736   33.588   9.0263   37.351   9.0010   67.973   9.7991   71.956   9.2308 -3.982719 13.46222 
1 1 1   12    5   81 o   47.473   8.1897   17.119   5.9702   28.243   8.4850   6.2127   8.4018   62.087   10.085   32.860   12.907 29.22696 16.37932 
1 1 1   12    5   82 o  109.797   6.8517   89.546   9.5838   83.553   16.213   92.765   11.882  105.418   11.349  114.177   7.6793 -8.759697 13.70333 
1 1 1   12    5   83 o   62.407   9.2757   31.899   7.4374   27.561   12.310   34.393   9.3336   56.683   15.555   68.131   10.109 -11.44769 18.55131 
1 1 1   12    5   84 o   37.315   9.6135   10.369   6.7483   2.9349   11.082   14.750   8.5073   32.126   13.888   42.504   13.296 -10.37786 19.22692 
1 1 1   12    5   85 o   27.563   8.6067  -0.4563   6.5528  -8.0911   10.764   4.0388   8.2596   25.247   11.934   29.880   12.405 -4.633539 17.21346 
1 1 1   12    5   86 o   47.902   16.773   21.593   13.439   21.593   13.439   0.0000   0.0000   47.902   16.773  ?   ?       ?      ? 
1 1 1   12    5   87 o   54.486   11.655   28.909   10.008   39.529   14.077   18.056   14.231   65.183   16.044   43.789   16.909 21.39428 23.30977 
1 1 1   12    5   88 o   60.179   11.632   35.878   9.9071   30.302   14.236   41.114   13.796   54.150   17.234   66.208   15.628 -12.05838 23.26438 
1 1 1   12    5   89 o   67.735   11.543   45.923   10.583   38.862   15.147   52.656   14.792   60.364   17.500   75.107   15.058 -14.74246 23.08624 
1 1 1   12    6    0 o  509.520   6.4284  1759.98   44.382  1788.91   63.242  1731.91   62.299  513.645   9.0857  505.395   9.0964 8.250854 12.85671 
1 1 1   12    6    1 o  969.590   11.001  6381.96  144.528  6469.75  206.042  6296.93  202.784  976.150   15.576  963.030   15.539 13.12067 22.00135 
1 1 1   12    6    2 o  1461.44   16.185 14535.62  320.526 14462.76  451.579 14609.61  455.026  1457.75   22.860  1465.12   22.918 -7.365356 32.36980 
1 1 1   12    6    3 o  342.622   4.9914  795.216   23.165  827.374   33.201  764.708   32.338  349.369   7.0126  335.876   7.1049 13.49307 9.982770 
1 1 1   12    6    4 o  196.977   4.0911  262.929   10.904  282.613   15.582  244.036   15.265  204.203   5.6309  189.752   5.9365 14.45084 8.182277 
1 1 1   12    6    5 o  659.911   9.6773  2947.00   81.231  2979.49  142.293  2931.30   98.938  662.424   15.851  657.398   11.106 5.025513 19.35469 
1 1 1   12    6    6 o  215.011   6.2938  313.404   18.318  333.351   26.139  294.151   25.680  221.736   8.6990  208.285   9.0980 13.45111 12.58755 
1 1 1   12    6    7 o  193.451   6.2040  253.670   16.258  251.612   22.647  255.859   23.354  192.643   8.6752  194.259   8.8714 -1.616058 12.40808 
1 1 1   12    6    8 o  588.190   10.247  2348.00   81.671  2327.07  114.582  2369.61  116.442  585.530   14.441  590.850   14.543 -5.320679 20.49450 
1 1 1   12    6    9 o  494.538   9.0918  1654.08   60.814  1575.77   82.921  1745.24   89.457  481.919   12.697  507.156   13.016 -25.23624 18.18369 
1 1 1   12    6   10 o  556.161   13.828  2099.23  104.221  2099.23  104.221   0.0000   0.0000  556.161   13.828  ?   ?       ?      ? 
1 1 1   12    6   11 o  522.797   13.215  1854.69   93.626  1854.69   93.626   0.0000   0.0000  522.797   13.215  ?   ?       ?      ? 
1 1 1   12    6   12 o  786.096   18.316  4199.31  195.112  4199.31  195.112   0.0000   0.0000  786.096   18.316  ?   ?       ?      ? 
1 1 1   12    6   13 o  1268.36   20.109 10956.81  345.235 10522.18  474.449 11445.90  503.298  1241.76   28.195  1294.96   28.680 -53.20056 40.21828 
1 1 1   12    6   14 o  469.938   7.5550  1509.55   45.097  1531.97   55.137  1464.24   78.384  475.338   8.5597  464.539   12.452 10.79935 15.10992 
1 1 1   12    6   15 o  945.546   13.223  6089.19  159.653  6111.81  195.650  6044.10  276.202  948.707   15.218  942.385   21.628 6.322083 26.44551 
1 1 1   12    6   16 o  502.089   7.9010  1727.77   50.554  1763.35   62.098  1657.85   87.056  509.941   8.9861  494.236   12.998 15.70502 15.80199 
1 1 1   12    6   17 o  519.778   6.5226  1829.50   45.907  1763.28   63.418  1902.40   66.539  509.913   9.1778  529.643   9.2706 -19.73013 13.04515 
1 1 1   12    6   18 o  780.185   9.0582  4131.29   95.764  4104.45  134.675  4158.74  136.200  777.625   12.780  782.745   12.840 -5.119324 18.11637 
1 1 1   12    6   19 o  284.889   4.5825  550.148   17.689  547.742   24.803  552.639   25.235  284.256   6.4388  285.523   6.5221 -1.266144 9.164956 
1 1 1   12    6   20 o  310.219   4.7682  652.270   20.041  645.464   28.024  659.394   28.673  308.564   6.7019  311.873   6.7845 -3.309784 9.536491 
1 1 1   12    6   21 f  144.891   4.0384  142.447   7.9198  149.681   11.161  135.111   11.240  148.602   5.5424  141.181   5.8750 7.421082 8.076748 
1 1 1   12    6   22 o  760.046   8.8589  3921.87   91.239  3893.87  128.219  3950.59  129.859  757.303   12.494  762.790   12.563 -5.487122 17.71780 
1 1 1   12    6   23 o  172.687   4.0884  202.142   9.5650  201.882   13.377  202.415   13.683  172.574   5.7199  172.800   5.8431 -0.2262878 8.176712 
1 1 1   12    6   24 o  576.149   8.7443  2273.35   64.341  2313.28   79.140  2195.51  110.504  583.889   10.002  568.408   14.346 15.48151 17.48854 
1 1 1   12    6   25 o  349.513   6.3429  828.715   27.933  828.725   33.775  828.695   49.687  349.594   7.1294  349.433   10.493 0.1611023 12.68582 
1 1 1   12    6   26 o  388.734   6.5220  1022.76   32.647  1033.40   55.780  1017.22   40.264  390.187   10.549  387.281   7.6720 2.905975 13.04402 
1 1 1   12    6   27 o  717.042   11.897  3496.89  115.538  3620.42  166.722  3382.74  160.261  729.204   16.872  704.881   16.778 24.32343 23.79378 
1 1 1   12    6   28 o  246.281   4.4515  410.227   14.838  388.732   20.384  434.450   21.639  239.437   6.2823  253.125   6.3085 -13.68756 8.903025 
1 1 1   12    6   29 o  433.373   5.7848  1274.28   33.972  1283.46   48.006  1265.06   48.081  434.940   8.1449  431.805   8.2169 3.134827 11.56964 
1 1 1   12    6   30 o  381.929   7.6395  989.610   39.539   0.0000   0.0000  989.610   39.539  ?   ?   381.929   7.6395      ?      ? 
1 1 1   12    6   31 o  691.037   11.628  3245.79  108.894   0.0000   0.0000  3245.79  108.894  ?   ?   691.037   11.628      ?      ? 
1 1 1   12    6   32 o  416.080   5.6441  1174.79   31.819  1168.43   44.583  1181.40   45.428  414.937   7.9287  417.223   8.0348 -2.286194 11.28811 
1 1 1   12    6   33 o  272.597   4.5876  502.391   16.918  472.540   23.148  536.620   24.788  263.934   6.4720  281.259   6.5035 -17.32538 9.175142 
1 1 1   12    6   34 o  302.294   4.7772  617.500   19.530  575.529   26.657  666.132   28.695  291.250   6.7541  313.338   6.7578 -22.08725 9.554375 
1 1 1   12    6   35 o  438.340   5.8442  1303.67   34.699  1359.69   49.811  1250.86   48.364  447.487   8.2142  429.194   8.3155 18.29263 11.68848 
1 1 1   12    6   36 o  447.368   5.9215  1359.19   35.896  1352.51   50.371  1366.09   51.167  446.256   8.3294  448.479   8.4190 -2.223267 11.84307 
1 1 1   12    6   37 o  256.484   5.4922  452.608   18.015  465.292   22.254  428.487   30.687  261.865   6.2710  251.104   9.0183 10.76103 10.98434 
1 1 1   12    6   38 o  161.495   4.9562  170.521   10.206  158.945   12.297  196.139   18.293  153.057   5.9288  169.933   7.9438 -16.87578 9.912355 
1 1 1   12    6   39 o  346.731   5.1288  813.195   24.050  765.139   32.782  869.204   35.391  335.685   7.2064  357.776   7.2996 -22.09055 10.25753 
1 1 1   12    6   40 o  279.664   4.6635  531.053   17.669  536.450   24.759  525.453   25.222  281.119   6.4991  278.208   6.6900 2.911530 9.327076 
1 1 1   12    6   41 o  443.775   5.9162  1338.72   35.576  1343.21   50.060  1334.13   50.568  444.538   8.3099  443.013   8.4231 1.524170 11.83232 
1 1 1   12    6   42 o  468.629   7.5918  1492.71   45.049  1486.13   54.662  1506.64   79.535  467.485   8.6286  469.772   12.494 -2.287140 15.18365 
1 1 1   12    6   43 o  466.284   7.5858  1490.83   45.011  1508.47   55.099  1455.45   78.043  470.937   8.6337  461.630   12.476 9.306702 15.17165 
1 1 1   12    6   44 o  226.712   4.4254  348.998   13.591  349.009   18.962  348.986   19.489  226.723   6.1718  226.702   6.3439 0.2095032E-01 8.850762 
1 1 1   12    6   45 o  314.160   4.9264  670.665   20.968  688.487   29.686  652.920   29.621  318.336   6.8815  309.983   7.0514 8.352417 9.852812 
1 1 1   12    6   46 o  159.341   4.3157  172.315   9.3141  169.458   12.926  175.401   13.433  157.972   6.0381  160.711   6.1680 -2.738983 8.631475 
1 1 1   12    6   47 o  252.536   5.7066  430.858   18.284  425.365   22.178  442.510   32.302  250.218   6.5407  254.853   9.3531 -4.634918 11.41319 
1 1 1   12    6   48 o  356.877   6.5450  881.472   30.151  821.319   50.126  915.573   37.741  346.857   10.664  366.896   7.5909 -20.03897 13.08993 
1 1 1   12    6   49 o  184.854   4.4303  232.166   11.098  234.070   15.697  230.263   15.693  185.614   6.2404  184.094   6.2904 1.519409 8.860656 
1 1 1   12    6   50 o  217.784   5.5546  331.082   15.521  295.572   25.808  351.203   19.427  208.228   9.1461  227.340   6.3060 -19.11183 11.10927 
1 1 1   12    6   51 o  167.749   5.3381  190.134   11.563  195.938   19.728  187.096   14.271  169.579   8.5846  165.918   6.3473 3.660873 10.67628 
1 1 1   12    6   52 o  144.363   4.5512  141.860   8.8852  152.390   12.569  131.342   12.562  149.742   6.1942  138.983   6.6698 10.75876 9.102385 
1 1 1   12    6   53 o   96.822   5.2872   64.347   6.8407   76.926   9.7022   51.913   9.6464  106.353   6.7319   87.292   8.1547 19.06116 10.57439 
1 1 1   12    6   54 o  199.485   4.5040  270.689   12.167  283.061   17.223  258.365   17.189  204.052   6.2285  194.917   6.5077 9.134460 9.007994 
1 1 1   12    6   55 o  250.224   4.7003  425.788   15.925  449.824   22.746  402.681   22.303  257.165   6.5271  243.282   6.7651 13.88327 9.400513 
1 1 1   12    6   56 o  151.619   5.5488  155.392   10.787  152.771   13.210  160.637   18.688  149.854   6.5053  153.384   8.9910 -3.529358 11.09761 
1 1 1   12    6   57 o  149.023   5.6479  153.312   10.768  157.341   13.303  145.658   18.337  152.064   6.4558  145.983   9.2693 6.081100 11.29585 
1 1 1   12    6   58 o  256.853   5.9695  455.518   19.393  464.953   23.665  436.229   33.837  261.318   6.6828  252.387   9.8933 8.930740 11.93891 
1 1 1   12    6   59 o   46.647   10.280   14.076   6.6851   12.542   7.9148   17.896   12.487   42.396   12.744   50.898   16.135 -8.502605 20.56078 
1 1 1   12    6   60 o  159.305   4.6600  173.003   10.042  186.480   14.296  159.877   14.108  165.461   6.3759  153.150   6.7979 12.31125 9.320026 
1 1 1   12    6   61 o  230.392   4.7044  361.629   14.671  386.467   21.062  338.216   20.449  238.097   6.5276  222.686   6.7763 15.41138 9.408891 
1 1 1   12    6   62 o  187.930   4.6370  240.913   11.808  235.495   16.614  246.444   16.784  185.787   6.5991  190.073   6.5162 -4.286194 9.274083 
1 1 1   12    6   63 o  169.663   5.7251  195.966   12.394  201.254   21.638  193.384   15.120  171.036   9.3355  168.290   6.6298 2.745560 11.45015 
1 1 1   12    6   64 o  207.023   5.8319  299.560   15.348  278.311   26.278  310.561   18.908  200.847   9.6547  213.199   6.5445 -12.35257 11.66378 
1 1 1   12    6   65 o   92.375   5.6483   59.072   6.9920   49.276   9.9184   68.750   9.8583   84.593   8.6521  100.157   7.2633 -15.56361 11.29668 
1 1 1   12    6   66 o   75.048   7.9374   41.689   7.2260   34.592   12.277   45.451   8.9383   68.840   13.642   81.256   8.1173 -12.41609 15.87477 
1 1 1   12    6   67 o  144.268   5.7108  140.697   10.574  152.247   18.455  135.053   12.901  148.222   9.1880  140.313   6.7849 7.908890 11.42162 
1 1 1   12    6   68 o   73.447   6.3407   37.469   6.3023   36.605   9.0866   38.270   8.7485   72.577   9.2388   74.317   8.6869 -1.739685 12.68141 
1 1 1   12    6   69 o  238.587   4.7808  391.558   15.456  397.802   21.955  385.422   21.763  240.486   6.7369  236.689   6.7852 3.797058 9.561625 
1 1 1   12    6   70 o  142.271   4.8120  139.490   9.2689  131.673   13.008  147.553   13.211  138.172   6.9471  146.371   6.6604 -8.199203 9.624071 
1 1 1   12    6   71 o  139.234   4.9346  134.189   9.2918  143.085   13.093  125.163   13.188  143.993   6.7100  134.474   7.2372 9.518478 9.869187 
1 1 1   12    6   72 o   66.707   8.3592   31.583   7.0849   29.308   8.7540   35.902   12.062   64.311   10.045   69.103   13.364 -4.791786 16.71844 
1 1 1   12    6   73 o   42.464   8.9742   13.488   5.6852   16.622   7.8404   10.013   8.2560   46.943   12.210   37.985   13.156 8.958141 17.94838 
1 1 1   12    6   74 o   76.377   8.9971   48.540   7.7967   55.796   9.3799   32.322   14.024   89.285   7.7524   63.468   16.239 25.81681 17.99427 
1 1 1   12    6   75 o   84.279   5.8407   50.054   6.6685   48.406   9.3214   51.781   9.5440   82.842   8.3032   85.716   8.2165 -2.874405 11.68134 
1 1 1   12    6   76 o  113.698   5.2395   90.667   8.0706   91.198   11.303   90.114   11.527  114.088   7.3108  113.307   7.5075 0.7817154 10.47904 
1 1 1   12    6   77 o  102.234   5.5686   73.610   7.6530   61.861   10.539   86.717   11.131   93.379   8.3285  111.088   7.3942 -17.70934 11.13725 
1 1 1   12    6   78 o   61.688   9.2621   28.912   7.1738   32.562   12.424   27.086   8.7866   63.559   14.715   59.817   11.253 3.742199 18.52428 
1 1 1   12    6   79 o   25.549   7.8147  -0.6006   5.1694   3.4900   7.1889  -4.9807   7.4389   28.791   11.721   22.306   10.339 6.484552 15.62947 
1 1 1   12    6   80 o   49.376   9.7680   18.293   6.7274   26.863   11.100   13.317   8.4580   57.445   14.311   41.307   13.298 16.13798 19.53605 
1 1 1   12    6   81 o  109.902   6.6584   87.831   9.4996   88.405   15.829   87.508   11.876  109.056   10.711  110.749   7.9132 -1.693039 13.31688 
1 1 1   12    6   82 o   47.357   9.6510   19.252   7.0519   10.040   11.291   25.142   9.0294   38.289   14.985   56.426   12.167 -18.13681 19.30203 
1 1 1   12    6   83 o   36.919   9.7714   10.014   6.6644   6.7110   10.801   12.045   8.4686   34.791   14.289   39.047   13.332 -4.256233 19.54276 
1 1 1   12    6   84 o   80.410   9.9626   53.238   10.428   40.568   14.281   67.708   15.262   67.903   15.815   92.918   12.121 -25.01530 19.92521 
1 1 1   12    6   85 o  117.854   8.4143  109.057   13.022   79.408   17.771  143.439   19.137   98.491   13.315  137.217   10.292 -38.72555 16.82870 
1 1 1   12    6   86 o   60.421   11.382   34.266   9.7311   25.910   13.503   43.297   14.037   51.474   16.820   69.367   15.340 -17.89304 22.76468 
1 1 1   12    6   87 o   40.358   15.630   14.729   12.185   14.729   12.185   0.0000   0.0000   40.358   15.630  ?   ?       ?      ? 
1 1 1   12    6   88 o   46.679   11.723   22.806   9.3089   22.197   13.062   23.435   13.270   46.150   16.500   47.208   16.657 -1.058071 23.44575 
1 1 1   12    7    0 o  319.377   5.8502  700.662   24.212  724.432   30.394  659.384   40.052  326.916   6.8607  311.838   9.4780 15.07849 11.70048 
1 1 1   12    7    1 o  262.248   6.5156  466.158   23.155   0.0000   0.0000  466.158   23.155  ?   ?   262.248   6.5156      ?      ? 
1 1 1   12    7    2 o  317.939   4.8455  685.105   20.872  706.141   29.695  664.565   29.342  322.763   6.7892  313.115   6.9153 9.648224 9.690928 
1 1 1   12    7    3 o  383.124   5.3540  993.907   27.781  959.555   38.509  1031.19   40.117  376.229   7.5531  390.019   7.5904 -13.78928 10.70808 
1 1 1   12    7    4 o  522.438   6.5580  1850.22   46.422  1823.31   64.930  1878.36   66.394  518.555   9.2399  526.322   9.3089 -7.766663 13.11607 
1 1 1   12    7    5 o  491.724   6.2715  1638.97   41.783  1615.66   58.431  1663.37   59.773  488.148   8.8331  495.301   8.9054 -7.152313 12.54309 
1 1 1   12    7    6 o  491.963   6.2708  1640.99   41.804  1635.90   58.813  1646.18   59.431  491.194   8.8357  492.733   8.9006 -1.538727 12.54152 
1 1 1   12    7    7 o  432.667   6.7703  1266.89   33.668  1264.63   38.481  1274.28   69.524  431.938   6.5743  433.396   11.838 -1.458191 13.54069 
1 1 1   12    7    8 o  256.240   5.6764  446.633   17.999  448.820   21.482  441.479   32.972  257.327   6.1605  255.152   9.5360 2.174454 11.35281 
1 1 1   12    7    9 o  768.573   10.398  4020.74   93.334  4030.82  107.599  3990.09  187.583  770.916   10.300  766.230   18.066 4.686096 20.79535 
1 1 1   12    7   10 o  434.455   6.7868  1275.48   33.783  1271.52   38.547  1288.58   70.153  433.108   6.5677  435.801   11.879 -2.692566 13.57360 
1 1 1   12    7   11 o  424.413   6.6738  1209.15   32.319  1198.74   36.761  1244.57   67.822  420.531   6.4507  428.295   11.685 -7.763245 13.34764 
1 1 1   12    7   12 o  307.080   5.6880  641.882   19.766  643.968   22.471  634.749   41.554  308.242   5.3795  305.917   10.024 2.325073 11.37603 
1 1 1   12    7   13 o  757.831   10.261  3866.51   90.062  3835.99  103.149  3964.43  184.744  752.020   10.122  763.642   17.853 -11.62195 20.52218 
1 1 1   12    7   14 o  495.609   7.4247  1680.89   42.748  1694.91   49.226  1637.91   86.209  500.003   7.2650  491.216   12.951 8.786652 14.84946 
1 1 1   12    7   15 o  618.845   8.7051  2583.02   62.337  2568.14   71.401  2630.70  127.839  615.394   8.5618  622.295   15.160 -6.900818 17.41023 
1 1 1   12    7   16 o  487.518   7.3707  1637.67   41.882  1662.70   48.393  1562.96   83.600  495.219   7.2111  479.817   12.857 15.40213 14.74134 
1 1 1   12    7   17 o  312.192   5.7943  673.235   20.581  683.960   23.528  638.279   42.475  317.658   5.4656  306.726   10.219 10.93198 11.58860 
1 1 1   12    7   18 o  1151.75   14.989  9010.78  201.393  8982.54  231.769  9097.83  406.923  1149.76   14.875  1153.74   26.027 -3.981445 29.97794 
1 1 1   12    7   19 o  230.691   4.3283  360.719   13.517  383.240   19.288  338.983   18.949  237.768   5.9861  223.614   6.2531 14.15475 8.656541 
1 1 1   12    7   20 o  484.527   6.2123  1591.80   40.780  1565.25   56.929  1619.78   58.445  480.381   8.7452  488.672   8.8256 -8.291748 12.42453 
1 1 1   12    7   21 o  226.760   4.2822  348.426   13.155  342.330   18.327  354.904   18.893  224.716   6.0184  228.804   6.0932 -4.088257 8.564351 
1 1 1   12    7   22 o  227.942   4.3349  352.366   13.384  365.141   18.926  339.589   18.928  232.078   6.0179  223.806   6.2411 8.272095 8.669854 
1 1 1   12    7   23 o  649.433   7.7739  2863.03   68.412  2900.30   97.225  2826.49   96.282  653.620   10.977  645.247   11.011 8.373657 15.54778 
1 1 1   12    7   24 o  207.560   5.4354  292.746   14.023  293.578   16.783  290.823   25.521  208.091   5.9517  207.029   9.0967 1.062225 10.87074 
1 1 1   12    7   25 o  355.528   7.3037  857.413   35.110  847.939   47.954  868.360   51.546  353.434   10.012  357.623   10.636 -4.188507 14.60739 
1 1 1   12    7   26 o  203.603   4.9914  276.493   13.246  297.875   22.353  264.921   16.444  209.545   7.8720  197.661   6.1392 11.88370 9.982861 
1 1 1   12    7   27 o  263.377   4.5347  469.853   16.175  454.071   22.396  487.057   23.384  258.761   6.3870  267.993   6.4390 -9.232330 9.069373 
1 1 1   12    7   28 o  499.331   6.3849  1691.95   43.196  1738.60   61.676  1647.05   60.517  506.087   8.9930  492.575   9.0661 13.51181 12.76982 
1 1 1   12    7   29 f  176.618   4.2105  210.889   10.061  199.693   13.765  223.733   14.743  171.601   5.9192  181.635   5.9897 -10.03387 8.420966 
1 1 1   12    7   30 o  394.767   6.6259  1051.99   33.639  1078.51   57.826  1038.42   41.357  398.367   10.712  391.167   7.8019 7.199371 13.25176 
1 1 1   12    7   31 o  290.618   9.2637  573.651   36.483   0.0000   0.0000  573.651   36.483  ?   ?   290.618   9.2637      ?      ? 
1 1 1   12    7   32 o  426.896   7.0161  1249.75   38.522  1275.40   47.771  1202.06   65.139  433.424   8.1334  420.368   11.435 13.05606 14.03229 
1 1 1   12    7   33 o  449.237   7.2221  1363.40   41.369  1346.81   50.426  1397.55   72.350  445.334   8.3557  453.140   11.782 -7.805817 14.44421 
1 1 1   12    7   34 o  249.762   5.4293  426.877   17.400  434.188   21.503  413.009   29.615  252.969   6.2725  246.555   8.8637 6.413635 10.85866 
1 1 1   12    7   35 o  402.453   5.5664  1099.96   30.352  1128.14   43.051  1072.11   42.799  407.587   7.7943  397.318   7.9491 10.26941 11.13279 
1 1 1   12    7   36 o  177.556   4.2847  214.227   10.295  223.498   14.404  204.546   14.718  181.497   5.8565  173.615   6.2558 7.882019 8.569345 
1 1 1   12    7   37 o  421.472   5.7254  1206.98   32.698  1217.99   46.088  1195.82   46.398  423.417   8.0322  419.527   8.1612 3.889709 11.45083 
1 1 1   12    7   38 o  424.816   5.7545  1226.43   33.125  1242.26   46.770  1210.49   46.921  427.577   8.0718  422.054   8.2038 5.522461 11.50901 
1 1 1   12    7   39 o  360.036   5.2473  879.799   25.587  859.618   35.470  901.695   36.946  355.742   7.3577  364.329   7.4833 -8.586853 10.49457 
1 1 1   12    7   40 o  575.248   7.1399  2252.77   55.652  2298.94   79.325  2208.01   78.096  581.058   10.074  569.438   10.120 11.62012 14.27977 
1 1 1   12    7   41 o  241.291   4.5050  395.500   14.723  407.537   20.739  383.270   20.905  245.004   6.2465  237.579   6.4931 7.425644 9.009972 
1 1 1   12    7   42 o  382.476   6.7599  998.862   32.701  1003.90   39.732  988.288   57.574  384.315   7.6290  380.637   11.162 3.678314 13.51990 
1 1 1   12    7   43 o  399.569   6.9230  1085.60   34.951  1081.97   42.339  1093.36   61.926  398.911   7.8322  400.226   11.418 -1.315247 13.84603 
1 1 1   12    7   44 o  249.873   5.6905  433.935   18.365  392.318   30.228  458.283   23.121  240.009   9.2939  259.736   6.5688 -19.72746 11.38095 
1 1 1   12    7   45 o  228.472   4.4845  354.717   13.877  367.432   19.603  341.946   19.647  232.588   6.2196  224.355   6.4623 8.232895 8.969097 
1 1 1   12    7   46 o   87.578   6.3449   54.045   7.1458   45.905   11.633   58.978   9.0554   82.016   10.467   93.140   7.1745 -11.12390 12.68983 
1 1 1   12    7   47 o  306.738   5.9368  628.796   23.351  676.752   40.822  605.472   28.469  315.052   9.5616  298.424   7.0397 16.62726 11.87357 
1 1 1   12    7   48 o  143.864   5.6369  143.389   10.374  132.994   17.555  148.967   12.859  139.671   9.2749  148.058   6.4090 -8.387131 11.27387 
1 1 1   12    7   49 o  263.970   5.8268  482.796   19.781  447.262   33.093  502.549   24.674  256.054   9.5372  271.885   6.6968 -15.83096 11.65356 
1 1 1   12    7   50 o  210.383   4.4898  300.444   12.792  288.934   17.713  312.989   18.492  206.178   6.3398  214.587   6.3592 -8.409058 8.979540 
1 1 1   12    7   51 o  159.699   4.5428  173.509   9.8187  183.887   13.905  163.188   13.867  164.480   6.2384  154.917   6.6052 9.563171 9.085526 
1 1 1   12    7   52 o  204.969   4.5235  285.723   12.551  302.797   17.841  268.992   17.660  211.050   6.2380  198.887   6.5526 12.16331 9.047044 
1 1 1   12    7   53 o  114.399   5.8540   89.944   8.6425   91.694   10.757   86.757   14.516  116.091   6.8376  112.707   9.5039 3.384102 11.70802 
1 1 1   12    7   54 o  133.460   5.9046  128.006   9.9535  143.865   12.532  100.909   16.382  145.441   6.3585  121.479   9.9511 23.96244 11.80910 
1 1 1   12    7   55 o  212.719   4.5662  307.674   13.159  299.364   18.352  316.466   18.877  209.765   6.4562  215.673   6.4589 -5.907959 9.132326 
1 1 1   12    7   56 o  107.441   5.0854   78.641   7.4042   78.913   10.489   78.371   10.453  107.626   7.1917  107.256   7.1921 0.3702316 10.17088 
1 1 1   12    7   57 o  173.088   4.5972  203.967   10.782  203.645   15.154  204.298   15.344  172.954   6.4658  173.222   6.5368 -0.2681885 9.194364 
1 1 1   12    7   58 o  314.220   5.0972  672.031   21.677  721.091   31.356  627.121   30.000  325.210   7.1149  303.231   7.3008 21.97946 10.19431 
1 1 1   12    7   59 o   87.175   7.3256   52.484   8.0253   52.904   9.7101   51.577   14.256   87.968   8.1455   86.383   12.178 1.584763 14.65123 
1 1 1   12    7   60 o  199.554   5.7725  273.066   14.524  274.048   17.597  270.968   25.724  200.483   6.4769  198.625   9.5570 1.858353 11.54501 
1 1 1   12    7   61 o  209.609   4.6428  299.804   13.187  296.669   18.582  302.985   18.718  208.502   6.5766  210.715   6.5553 -2.212952 9.285665 
1 1 1   12    7   62 o   37.777   8.3663   8.5341   5.4845  -0.0262   7.8862   16.552   7.6324   27.664   11.833   47.890   11.830 -20.22602 16.73265 
1 1 1   12    7   63 o  125.419   4.9705  107.651   8.4399  107.616   12.200  107.684   11.689  125.371   7.1806  125.466   6.8747 -0.9428406E-01 9.940977 
1 1 1   12    7   64 o  143.969   6.6546  141.842   12.983   0.0000   0.0000  141.842   12.983  ?   ?   143.969   6.6546      ?      ? 
1 1 1   12    7   65 o  119.909   6.0817   97.075   9.2302  105.280   16.564   93.380   11.116  123.142   9.9257  116.675   7.0306 6.466919 12.16346 
1 1 1   12    7   66 o   70.192   6.4425   34.124   6.0936   39.139   8.7980   29.499   8.4481   75.227   8.6302   65.157   9.5678 10.06998 12.88502 
1 1 1   12    7   67 o  119.530   4.9774   98.324   8.0594   96.576   11.483  100.022   11.315  118.453   7.1533  120.607   6.9228 -2.154274 9.954707 
1 1 1   12    7   68 o   47.048   8.7489   16.298   5.6578   17.923   8.1833   14.811   7.8310   49.237   12.300   44.859   12.445 4.377964 17.49786 
1 1 1   12    7   69 o   87.935   6.7729   52.595   7.8171   48.085   9.7383   60.765   13.108   83.068   8.6510   92.802   10.423 -9.733772 13.54572 
1 1 1   12    7   70 o  118.460   5.1229   97.182   8.2233   96.997   11.685   97.364   11.575  118.334   7.2868  118.587   7.2027 -0.2533569 10.24582 
1 1 1   12    7   71 o  128.327   4.9478  114.143   8.6012  115.353   12.046  112.883   12.286  129.066   6.8871  127.588   7.1057 1.477951 9.895594 
1 1 1   12    7   72 o  152.194   4.8111  160.356   9.9120  150.975   13.710  170.630   14.348  147.510   6.8583  156.877   6.7490 -9.366745 9.622131 
1 1 1   12    7   73 o  110.914   5.2827   85.974   7.9298   86.523   10.963   85.372   11.483  111.377   7.2639  110.451   7.6722 0.9251556 10.56532 
1 1 1   12    7   74 o   89.856   7.5726   58.957   8.2176   59.648   9.7117   57.218   15.420   92.163   7.7760   87.550   12.997 4.612465 15.14526 
1 1 1   12    7   75 o   56.228   9.7881   22.733   6.8985   19.263   8.1694   31.357   12.879   50.081   12.159   62.376   15.342 -12.29565 19.57625 
1 1 1   12    7   76 o  122.357   5.1813  104.874   8.5752   96.549   11.816  114.139   12.464  117.173   7.4415  127.542   7.2116 -10.36910 10.36257 
1 1 1   12    7   77 o   41.765   8.9661   13.341   6.7123  -1.4164   10.974   22.164   8.4848   29.923   13.342   53.607   11.981 -23.68386 17.93225 
1 1 1   12    7   78 o   42.615   9.5263   14.545   6.6688   6.2184   10.825   19.639   8.4663   35.201   14.363   50.030   12.518 -14.82821 19.05260 
1 1 1   12    7   79 o   85.301   8.9724   52.480   10.372   0.0000   0.0000   52.480   10.372  ?   ?    85.301   8.9724      ?      ? 
1 1 1   12    7   80 o   73.607   9.0347   43.849   8.1604   36.663   13.662   47.835   10.175   66.097   15.519   81.116   9.2562 -15.01957 18.06940 
1 1 1   12    7   81 o  109.141   7.2011   92.470   9.8619   73.721   16.210  103.489   12.426   97.843   12.225  120.438   7.6137 -22.59545 14.40229 
1 1 1   12    7   82 o   54.087   11.084   25.372   8.6480   21.256   11.815   30.123   12.693   49.374   15.699   58.800   15.652 -9.426308 22.16849 
1 1 1   12    7   83 o   52.827   11.182   24.604   8.8874   32.766   13.032   17.506   12.152   60.834   15.701   44.821   15.926 16.01299 22.36479 
1 1 1   12    7   84 o   29.076   9.2077  -2.9782   7.8799 -11.9426   10.950   6.6493   11.348   23.717   11.432   34.435   14.437 -10.71833 18.41545 
1 1 1   12    7   85 o   91.202   9.8035   70.726   11.322   50.394   15.764   92.391   16.273   73.939   16.182  108.465   11.071 -34.52608 19.60692 
1 1 1   12    7   86 o   91.080   9.5702   71.014   11.217   55.327   15.643   87.617   16.093   77.719   15.397  104.441   11.371 -26.72202 19.14048 
1 1 1   12    7   87 o   35.582   10.419   8.8650   8.4660   2.5690   11.635   15.948   12.341   30.524   13.665   40.639   15.732 -10.11546 20.83800 
1 1 1   12    8    0 o  467.537   6.0948  1481.85   38.611  1512.77   55.015  1451.84   54.202  472.343   8.5950  462.731   8.6437 9.612213 12.18966 
1 1 1   12    8    1 o  375.676   6.6454  959.770   31.729  949.305   55.369  964.887   38.717  374.091   10.922  377.261   7.5732 -3.169800 13.29076 
1 1 1   12    8    2 o  667.533   9.8129  3025.22   83.560  3023.98  145.136  3025.83  102.197  667.220   16.052  667.846   11.292 -0.6265869 19.62585 
1 1 1   12    8    3 o  471.577   6.1218  1506.34   39.099  1460.27   54.196  1556.35   56.464  464.067   8.6180  479.088   8.6970 -15.02112 12.24368 
1 1 1   12    8    4 o  112.219   4.3161   84.818   6.5390   75.619   8.8846   95.689   9.6589  105.622   6.2072  118.816   5.9989 -13.19397 8.632264 
1 1 1   12    8    5 o  432.949   5.7881  1270.88   33.958  1289.55   48.191  1252.46   47.857  436.109   8.1543  429.789   8.2170 6.320068 11.57630 
1 1 1   12    8    6 o  796.786   9.2463  4304.32   99.777  4465.17  144.143  4156.34  138.253  811.056   13.115  782.515   13.038 28.54144 18.49262 
1 1 1   12    8    7 o  356.442   5.1620  861.248   24.927  888.554   35.458  834.564   35.051  362.029   7.2275  350.854   7.3721 11.17505 10.32398 
1 1 1   12    8    8 o  496.984   7.4331  1674.86   42.653  1674.21   48.869  1676.94   87.390  496.939   7.2569  497.028   12.975 -0.8898926E-01 14.86620 
1 1 1   12    8    9 o  334.837   5.9779  772.571   22.871  783.485   26.180  737.403   46.997  339.985   5.6824  329.689   10.519 10.29587 11.95580 
1 1 1   12    8   10 o  521.155   7.6799  1832.00   46.089  1822.38   52.680  1863.38   95.165  518.443   7.4982  523.866   13.405 -5.422546 15.35985 
1 1 1   12    8   11 o  353.180   6.0794  841.354   24.420  837.552   27.767  854.335   51.311  351.513   5.8291  354.847   10.671 -3.334076 12.15887 
1 1 1   12    8   12 o  704.442   9.6585  3310.32   78.189  3258.74   89.071  3483.57  163.236  693.115   9.4831  715.769   16.829 -22.65326 19.31699 
1 1 1   12    8   13 o  649.403   9.0452  2828.80   67.707  2798.10   77.321  2929.73  140.202  642.294   8.8834  656.511   15.759 -14.21692 18.09038 
1 1 1   12    8   14 o  719.014   9.8594  3525.15   82.772  3538.04   95.441  3486.04  166.258  722.152   9.7527  715.875   17.138 6.276794 19.71872 
1 1 1   12    8   15 o  399.523   6.5213  1090.69   29.957  1097.82   34.319  1067.84   61.402  402.413   6.2934  396.633   11.424 5.780212 13.04270 
1 1 1   12    8   16 o  264.998   5.4410  471.262   16.160  467.466   18.250  485.043   34.776  262.614   5.1283  267.382   9.5978 -4.768219 10.88192 
1 1 1   12    8   17 f  449.879   6.9690  1371.63   36.109  1370.15   41.318  1376.41   74.291  449.533   6.7825  450.224   12.177 -0.6911621 13.93809 
1 1 1   12    8   18 o  604.125   9.0608  2472.59   69.197  2461.08   83.821  2497.23  122.615  602.194   10.271  606.057   14.930 -3.862610 18.12167 
1 1 1   12    8   19 o  321.741   6.1459  702.646   24.580  703.241   29.407  701.265   44.780  322.046   6.7383  321.437   10.280 0.6084595 12.29173 
1 1 1   12    8   20 o  768.686   11.050  3998.04  107.432  3959.03  130.044  4081.89  190.652  763.373   12.571  773.999   18.177 -10.62640 22.10040 
1 1 1   12    8   21 o  563.041   8.1589  2146.19   53.144  2139.82   60.909  2166.51  108.772  561.645   8.0027  564.436   14.221 -2.791077 16.31777 
1 1 1   12    8   22 o  268.451   5.7996  486.054   19.334  481.818   23.058  496.083   35.481  266.561   6.3832  270.341   9.6849 -3.780182 11.59926 
1 1 1   12    8   23 o  565.257   8.6435  2167.92   61.907  2161.38   75.180  2181.68  109.109  564.238   9.8323  566.275   14.218 -2.037292 17.28693 
1 1 1   12    8   24 o  546.889   8.4408  2030.88   58.502  2027.38   71.081  2038.23  103.001  546.457   9.5987  547.320   13.887 -0.8628540 16.88167 
1 1 1   12    8   25 o  218.971   4.3477  325.399   12.888  341.688   18.212  309.056   18.242  224.470   5.9870  213.472   6.3060 10.99730 8.695434 
1 1 1   12    8   26 o  601.853   7.3393  2460.89   59.857  2479.53   84.738  2442.32   84.565  604.132   10.350  599.573   10.408 4.559448 14.67852 
1 1 1   12    8   27 o  276.439   4.6244  518.515   17.314  539.851   24.529  497.332   24.442  282.113   6.4162  270.764   6.6613 11.34894 9.248816 
1 1 1   12    8   28 o  437.776   8.2090  1301.02   48.699  1301.02   48.699   0.0000   0.0000  437.776   8.2090  ?   ?       ?      ? 
1 1 1   12    8   29 o  279.046   5.5968  532.476   20.083  541.187   24.870  516.150   34.048  282.436   6.4979  275.655   9.1146 6.780670 11.19369 
1 1 1   12    8   30 o  286.949   6.6184  558.273   25.702  582.799   37.545  536.645   35.259  292.859   9.4605  281.040   9.2579 11.81833 13.23673 
1 1 1   12    8   31 o  122.702   5.5085  100.260   8.6509  108.141   15.192   96.479   10.524  126.163   8.8860  119.241   6.5127 6.922348 11.01707 
1 1 1   12    8   32 o  526.618   6.6672  1885.20   47.578  1896.73   67.141  1873.57   67.430  528.244   9.3793  524.992   9.4781 3.252075 13.33435 
1 1 1   12    8   33 o  317.414   4.9389  683.854   21.237  680.808   29.621  687.075   30.464  316.694   6.9021  318.134   7.0663 -1.440308 9.877821 
1 1 1   12    8   34 o  554.696   6.9408  2092.52   52.167  2138.07   74.305  2048.24   73.257  560.656   9.7800  548.736   9.8515 11.91974 13.88170 
1 1 1   12    8   35 o  518.920   8.0418  1811.43   53.284  1903.49   93.452  1767.08   64.860  528.114   13.058  509.727   9.3899 18.38684 16.08358 
1 1 1   12    8   36 f  384.743   6.6269  1013.95   32.716  1029.26   40.413  984.827   55.728  389.237   7.6617  380.248   10.815 8.989105 13.25381 
1 1 1   12    8   37 o  120.857   4.5536   99.138   7.4441   98.759   10.214   99.567   10.872  120.618   6.2487  121.096   6.6252 -0.4780884 9.107150 
1 1 1   12    8   38 o  168.106   4.3298  191.872   9.8517  192.625   13.619  191.044   14.269  168.460   5.9656  167.751   6.2769 0.7083588 8.659535 
1 1 1   12    8   39 o  209.095   5.7136  305.660   14.861  319.830   18.013  275.460   26.297  217.049   6.1243  201.141   9.6476 15.90810 11.42729 
1 1 1   12    8   40 o  173.933   5.3202  203.348   11.954  213.064   20.457  198.310   14.731  176.976   8.5298  170.889   6.3610 6.086746 10.64045 
1 1 1   12    8   41 o  112.959   4.6209   86.027   7.0405   75.558   9.5419   98.539   10.431  105.465   6.6764  120.453   6.3903 -14.98839 9.241801 
1 1 1   12    8   42 o  158.396   4.3667  170.113   9.3595  165.600   12.832  175.243   13.682  156.162   6.0637  160.631   6.2853 -4.469070 8.733461 
1 1 1   12    8   43 o  174.864   6.2841  209.469   14.785  221.839   20.140  195.010   21.773  180.558   8.2311  169.169   9.4977 11.38907 12.56814 
1 1 1   12    8   44 o  168.978   5.2427  192.236   11.522  200.992   19.412  187.472   14.318  171.839   8.3361  166.117   6.3602 5.721771 10.48534 
1 1 1   12    8   45 o  286.086   4.8018  555.246   18.597  532.104   25.609  581.065   27.050  279.796   6.7541  292.375   6.8271 -12.57932 9.603518 
1 1 1   12    8   46 o  293.772   4.8520  586.488   19.308  578.683   26.858  594.836   27.777  291.760   6.7931  295.784   6.9299 -4.024078 9.704096 
1 1 1   12    8   47 o  272.567   4.7380  505.030   17.496  503.199   24.431  506.957   25.066  272.070   6.6265  273.064   6.7739 -0.9936829 9.476082 
1 1 1   12    8   48 f  242.609   4.6502  400.251   15.284  408.836   21.552  391.565   21.679  245.238   6.4851  239.980   6.6663 5.258072 9.300331 
1 1 1   12    8   49 o   85.343   6.9439   44.591   7.5746   74.014   13.234   30.255   9.2374  104.145   9.3769   66.540   10.244 37.60466 13.88784 
1 1 1   12    8   50 o  142.464   5.5493  138.857   10.159  140.231   12.551  136.246   17.298  143.611   6.4495  141.318   9.0324 2.292404 11.09863 
1 1 1   12    8   51 o  105.243   5.0889   75.275   7.2523   72.125   10.031   78.724   10.497  102.940   7.1909  107.545   7.2028 -4.605202 10.17789 
1 1 1   12    8   52 o  182.257   4.5294  225.981   11.183  232.558   15.800  219.380   15.830  184.925   6.3050  179.588   6.5044 5.336945 9.058710 
1 1 1   12    8   53 o  139.652   4.6792  132.632   8.8514  130.273   12.300  135.166   12.748  138.370   6.5596  140.934   6.6747 -2.564194 9.358402 
1 1 1   12    8   54 o  105.651   5.0748   76.012   7.2632   75.155   10.118   76.922   10.433  105.043   7.1080  106.260   7.2451 -1.217072 10.14958 
1 1 1   12    8   55 o  118.460   4.8765   95.580   7.7985   84.840   10.871  106.965   11.193  111.577   7.1898  125.341   6.5900 -13.76405 9.753006 
1 1 1   12    8   56 o  162.870   6.4980  180.652   14.342   0.0000   0.0000  180.652   14.342  ?   ?   162.870   6.4980      ?      ? 
1 1 1   12    8   57 o   81.238   5.9189   45.278   6.4566   53.020   9.2321   37.865   9.0332   88.113   7.7318   74.363   8.9640 13.75018 11.83783 
1 1 1   12    8   58 o  168.184   4.6356  192.768   10.557  182.673   14.773  203.303   15.092  163.669   6.6609  172.699   6.4487 -9.029510 9.271107 
1 1 1   12    8   59 o  209.820   4.6504  300.090   13.215  286.798   18.407  314.228   18.985  205.019   6.6255  214.621   6.5275 -9.602234 9.300842 
1 1 1   12    8   60 o   79.088   7.3668   40.914   7.6085   35.242   9.3580   51.976   13.068   71.534   9.6536   86.643   11.130 -15.10867 14.73353 
1 1 1   12    8   61 o  233.952   5.7094  367.148   17.036  400.457   30.174  351.562   20.640  241.113   9.2349  226.790   6.7160 14.32329 11.41879 
1 1 1   12    8   62 o  141.137   4.7858  136.485   9.1346  126.524   12.921  146.438   12.916  135.931   7.0144  146.343   6.5127 -10.41248 9.571678 
1 1 1   12    8   63 o   23.533   7.4764  -3.3439   5.0219  -5.5551   7.2294  -1.2821   6.9811   22.198   10.254   24.869   10.883 -2.671192 14.95282 
1 1 1   12    8   64 o  187.511   4.6814  240.984   11.895  244.874   16.895  237.161   16.750  189.019   6.5957  186.003   6.6453 3.016647 9.362868 
1 1 1   12    8   65 o  108.453   6.2524   80.031   8.6705   86.082   15.220   77.124   10.550  111.057   10.113  105.850   7.3546 5.206329 12.50484 
1 1 1   12    8   66 o   88.020   6.7086   52.674   7.7989   48.344   9.8202   60.069   12.834   83.450   8.6839   92.591   10.228 -9.141670 13.41728 
1 1 1   12    8   67 o  110.643   6.0358   78.844   8.6876   63.146   10.629  110.433   15.078   95.381   8.2235  125.905   8.8373 -30.52329 12.07159 
1 1 1   12    8   68 o  110.511   5.2249   84.614   7.8076   77.840   10.986   91.525   11.098  105.954   7.6516  115.069   7.1169 -9.114334 10.44973 
1 1 1   12    8   69 o   44.450   8.7747   14.584   5.5887   18.562   8.0556   10.893   7.7600   49.841   12.058   39.060   12.751 10.78164 17.54933 
1 1 1   12    8   70 o   67.011   6.7874   31.894   6.1363   29.038   8.7712   34.632   8.5879   63.900   10.129   70.123   9.0375 -6.222477 13.57482 
1 1 1   12    8   71 o   50.363   8.4405   19.233   5.8223   12.733   8.1714   25.937   8.2981   41.393   13.045   59.333   10.715 -17.94014 16.88095 
1 1 1   12    8   72 o   46.155   8.8321   16.270   5.6650   15.318   8.0170   17.219   8.0060   44.808   12.649   47.503   12.329 -2.695370 17.66413 
1 1 1   12    8   73 o   46.383   8.3260   15.936   5.7322   6.8448   7.8941   26.077   8.3372   33.565   12.684   59.201   10.790 -25.63632 16.65208 
1 1 1   12    8   74 o  126.101   5.1294  110.921   8.7348   99.016   11.935  124.652   12.818  118.755   7.4163  133.447   7.0882 -14.69176 10.25882 
1 1 1   12    8   75 f   53.573   10.932   23.751   8.5863   28.533   11.622   18.004   12.741   59.632   14.518   47.514   16.349 12.11758 21.86470 
1 1 1   12    8   76 o   71.015   8.8476   40.575   7.6596   32.175   12.903   45.147   9.5181   62.653   15.324   79.378   8.8485 -16.72442 17.69515 
1 1 1   12    8   77 o   38.226   9.8604   10.535   6.6574   7.6452   10.903   12.253   8.4066   36.448   14.578   40.004   13.282 -3.556095 19.72084 
1 1 1   12    8   78 o   75.427   8.1746   43.148   7.8639   42.792   12.763   43.365   9.9843   73.663   13.274   77.190   9.5449 -3.526970 16.34921 
1 1 1   12    8   79 o   40.684   13.378   13.020   8.5358   0.0000   0.0000   13.020   8.5358  ?   ?    40.684   13.378      ?      ? 
1 1 1   12    8   80 o   55.723   16.163   27.179   12.919   0.0000   0.0000   27.179   12.919  ?   ?    55.723   16.163      ?      ? 
1 1 1   12    8   81 o   43.393   11.388   15.595   8.9368   17.197   12.683   14.016   12.594   44.875   16.233   41.910   15.976 2.965237 22.77593 
1 1 1   12    8   82 o   53.082   11.137   24.493   9.3449   38.214   13.728   12.644   12.757   65.857   15.619   40.306   15.880 25.55051 22.27417 
1 1 1   12    8   83 o   39.490   10.788   11.652   8.6118   19.037   12.244   4.4220   12.115   45.648   16.009   33.333   14.465 12.31443 21.57606 
1 1 1   12    8   84 o   48.791   11.302   22.113   9.2704   12.162   12.892   32.767   13.340   38.846   15.740   58.737   16.223 -19.89079 22.60418 
1 1 1   12    8   85 o   29.950   9.4080  -1.0677   8.2370 -12.0393   11.750   9.5344   11.550   24.177   11.700   35.722   14.736 -11.54517 18.81591 
1 1 1   12    8   86 o   55.709   11.241   31.829   9.8843   17.668   13.996   45.918   13.961   41.670   16.565   69.748   15.200 -28.07832 22.48207 
1 1 1   12    9    0 o  357.301   7.4228  865.579   35.940   0.0000   0.0000  865.579   35.940  ?   ?   357.301   7.4228      ?      ? 
1 1 1   12    9    1 o  573.445   7.0836  2230.55   55.043  2264.70   78.299  2197.20   77.394  577.784   10.000  569.107   10.035 8.677917 14.16722 
1 1 1   12    9    2 o  370.930   5.3199  932.624   26.735  920.181   37.337  945.718   38.300  368.393   7.4790  373.466   7.5676 -5.073730 10.63975 
1 1 1   12    9    3 o  490.392   6.3359  1627.32   42.056  1726.89   61.159  1537.99   57.926  504.591   8.9441  476.192   8.9765 28.39908 12.67181 
1 1 1   12    9    4 o  506.671   6.4635  1740.30   44.364  1703.79   61.785  1779.16   63.741  501.191   9.0970  512.152   9.1842 -10.96072 12.92691 
1 1 1   12    9    5 o  687.080   8.1732  3204.10   76.097  3192.07  107.103  3216.37  108.140  685.781   11.525  688.379   11.593 -2.597473 16.34647 
1 1 1   12    9    6 o  223.823   5.6242  334.547   15.832  353.545   28.635  326.184   18.999  228.296   9.2558  219.350   6.3918 8.946762 11.24832 
1 1 1   12    9    7 f  349.438   6.4186  818.547   28.335  855.033   50.685  801.960   34.175  354.968   10.537  343.908   7.3330 11.06030 12.83723 
1 1 1   12    9    8 o  335.815   6.2922  754.498   26.709  793.716   47.804  736.699   32.204  342.010   10.314  329.620   7.2096 12.39014 12.58435 
1 1 1   12    9    9 o  424.027   7.1288  1197.01   37.833  1161.82   45.180  1279.61   69.213  413.901   8.0550  434.153   11.764 -20.25186 14.25758 
1 1 1   12    9   10 o  548.613   13.960  2044.97  103.788   0.0000   0.0000  2044.97  103.788  ?   ?   548.613   13.960      ?      ? 
1 1 1   12    9   11 o  590.526   8.9433  2380.19   66.949  2402.26   81.589  2334.68  117.137  594.987   10.119  586.065   14.749 8.922363 17.88667 
1 1 1   12    9   12 o  337.974   6.3088  766.647   26.294  755.286   31.154  794.778   49.022  333.751   6.8882  342.198   10.571 -8.446838 12.61760 
1 1 1   12    9   13 o  509.348   7.9943  1716.10   50.468  1653.21   59.727  1873.10   94.373  493.645   8.9283  525.052   13.264 -31.40686 15.98867 
1 1 1   12    9   14 o  493.541   7.5000  1688.41   43.206  1723.84   50.035  1584.54   85.667  504.175   7.3234  482.907   13.091 21.26770 15.00008 
1 1 1   12    9   15 o  531.328   7.8231  1903.52   47.869  1891.66   54.704  1942.26   98.891  528.113   7.6439  534.542   13.652 -6.428406 15.64620 
1 1 1   12    9   16 o  538.252   7.9015  1950.70   48.900  1935.99   55.826  1999.17  101.363  534.248   7.7110  542.256   13.794 -8.007996 15.80309 
1 1 1   12    9   17 o  594.382   8.5297  2421.45   59.145  2442.22   68.255  2358.84  118.496  599.966   8.3951  588.799   14.851 11.16632 17.05949 
1 1 1   12    9   18 o  369.186   6.7286  947.667   31.477  993.126   38.759  859.603   53.946  382.634   7.4749  355.739   11.190 26.89584 13.45730 
1 1 1   12    9   19 o  444.891   7.3851  1348.15   41.526  1355.27   50.419  1333.13   73.221  446.909   8.3251  442.873   12.200 4.036163 14.77017 
1 1 1   12    9   20 o  337.509   6.4024  781.953   27.179  797.256   32.984  749.584   47.970  342.830   7.0997  332.189   10.656 10.64133 12.80471 
1 1 1   12    9   21 o  175.468   5.6112  213.752   11.999  220.382   14.273  197.770   22.160  180.275   5.8423  170.661   9.5818 9.614609 11.22248 
1 1 1   12    9   22 o  257.492   5.4602  445.735   15.802  442.481   17.870  457.408   33.844  255.462   5.1620  259.522   9.6234 -4.059540 10.92042 
1 1 1   12    9   23 o  164.345   4.7792  183.117   10.644  183.117   10.644   0.0000   0.0000  164.345   4.7792  ?   ?       ?      ? 
1 1 1   12    9   24 o  322.622   5.6662  705.881   24.772  705.881   24.772   0.0000   0.0000  322.622   5.6662  ?   ?       ?      ? 
1 1 1   12    9   25 o  271.641   5.9392  493.469   19.827  483.447   23.407  518.920   37.302  266.949   6.4706  276.334   9.9614 -9.384888 11.87842 
1 1 1   12    9   26 o  129.675   4.3444  114.379   7.6135  121.798   10.642  106.599   10.897  134.001   5.8604  125.349   6.4150 8.652740 8.688869 
1 1 1   12    9   27 o  388.898   5.4646  1025.88   28.780  1079.15   41.336  975.751   40.096  398.696   7.6507  379.100   7.8048 19.59592 10.92928 
1 1 1   12    9   28 o  275.419   4.6489  514.883   17.347  523.096   24.393  506.481   24.673  277.648   6.4832  273.191   6.6646 4.456482 9.297801 
1 1 1   12    9   29 o  414.786   6.9569  1147.08   36.557  1233.84   65.461  1107.76   44.069  425.716   11.347  403.856   8.0524 21.86017 13.91381 
1 1 1   12    9   30 o  272.404   5.7350  502.446   19.974  508.971   34.646  499.198   24.446  273.611   9.3442  271.198   6.6517 2.412811 11.46994 
1 1 1   12    9   31 o  444.033   5.9464  1339.84   35.780  1349.84   50.514  1329.77   50.687  445.702   8.3634  442.363   8.4554 3.338867 11.89283 
1 1 1   12    9   32 o  353.540   5.2139  849.005   24.975  858.485   35.120  839.306   35.524  355.546   7.2892  351.533   7.4571 4.012665 10.42789 
1 1 1   12    9   33 o  179.652   4.3235  218.891   10.515  215.681   14.500  222.451   15.270  178.270   6.0022  181.035   6.2244 -2.765289 8.646915 
1 1 1   12    9   34 o  367.268   5.3251  916.140   26.494  907.361   36.921  925.460   38.041  365.465   7.4549  369.072   7.6060 -3.607117 10.65020 
1 1 1   12    9   35 o  188.360   6.4558  242.227   16.418  255.415   22.696  227.751   23.779  193.797   8.6423  182.923   9.5927 10.87402 12.91158 
1 1 1   12    9   36 o  418.458   5.7565  1190.63   32.641  1206.80   46.110  1174.38   46.212  421.318   8.0761  415.598   8.2053 5.720459 11.51309 
1 1 1   12    9   37 o  312.467   4.9466  662.517   20.930  643.407   28.931  683.502   30.317  307.752   6.9372  317.182   7.0535 -9.430328 9.893233 
1 1 1   12    9   38 o  237.469   4.5543  383.064   14.634  410.828   20.854  356.127   20.541  245.964   6.2565  228.975   6.6199 16.99001 9.108625 
1 1 1   12    9   39 o  201.605   5.3152  273.799   13.904  284.976   23.529  267.802   17.235  204.646   8.4842  198.565   6.4050 6.080566 10.63039 
1 1 1   12    9   40 o  324.680   7.0239  717.987   30.887  752.588   44.373  685.466   43.019  332.277   9.8546  317.083   10.012 15.19391 14.04788 
1 1 1   12    9   41 o  129.038   4.5462  112.385   7.9225  101.474   10.742  125.400   11.732  122.211   6.4861  135.864   6.3720 -13.65297 9.092441 
1 1 1   12    9   42 o  227.548   4.5251  351.934   13.934  354.491   19.251  349.120   20.196  228.434   6.2188  226.662   6.5750 1.771851 9.050114 
1 1 1   12    9   43 o  164.753   5.6428  183.034   11.458  180.685   13.580  188.840   21.348  163.084   6.1448  166.421   9.4661 -3.337616 11.28562 
1 1 1   12    9   44 o  242.568   4.6163  399.082   15.158  380.904   20.867  419.392   22.056  236.734   6.5045  248.401   6.5524 -11.66664 9.232698 
1 1 1   12    9   45 o   95.801   5.1508   62.053   6.6555   54.219   9.0606   71.233   9.8083   89.264   7.4903  102.339   7.0724 -13.07513 10.30163 
1 1 1   12    9   46 o  266.629   5.6932  477.412   19.341  464.863   23.484  503.872   34.100  261.478   6.6277  271.781   9.2588 -10.30362 11.38646 
1 1 1   12    9   47 o  118.838   5.8025   96.314   8.7965   96.506   10.766   95.929   15.258  119.127   6.6688  118.549   9.4976 0.5775986 11.60507 
1 1 1   12    9   48 o  217.267   4.5485  320.803   13.386  315.888   18.591  326.093   19.288  215.548   6.3648  218.986   6.4996 -3.438065 9.097016 
1 1 1   12    9   49 o  271.774   5.8586  502.698   20.476  506.052   35.032  500.958   25.236  272.203   9.4971  271.344   6.8629 0.8592834 11.71725 
1 1 1   12    9   50 o  244.082   4.6756  405.364   15.450  428.761   21.979  382.509   21.723  251.068   6.4601  237.096   6.7611 13.97182 9.351266 
1 1 1   12    9   51 o  227.828   4.6355  353.174   14.306  365.861   20.326  340.720   20.140  231.895   6.4682  223.761   6.6418 8.134232 9.270991 
1 1 1   12    9   52 o  240.181   4.6901  392.427   15.254  414.724   21.843  371.206   21.310  246.853   6.5297  233.510   6.7344 13.34341 9.380301 
1 1 1   12    9   53 o  187.805   4.6011  240.156   11.708  244.449   16.514  235.819   16.600  189.503   6.4307  186.107   6.5822 3.395706 9.202107 
1 1 1   12    9   54 o  173.881   6.5899  205.936   15.528   0.0000   0.0000  205.936   15.528  ?   ?   173.881   6.5899      ?      ? 
1 1 1   12    9   55 o  175.688   4.6182  210.324   10.993  210.835   15.406  209.795   15.690  175.915   6.4625  175.460   6.5990 0.4551544 9.236330 
1 1 1   12    9   56 o  182.365   4.6311  226.800   11.442  230.675   16.085  222.830   16.279  183.959   6.4521  180.771   6.6452 3.187988 9.262231 
1 1 1   12    9   57 o  121.504   6.0391   97.460   9.4742  113.393   16.561   89.709   11.551  128.445   9.5144  114.563   7.4404 13.88272 12.07825 
1 1 1   12    9   58 o  266.311   5.9321  483.602   20.259  495.277   34.987  477.714   24.849  268.203   9.6264  264.419   6.9347 3.784241 11.86414 
1 1 1   12    9   59 o   52.978   8.6425   20.379   6.1175   16.463   8.6499   24.297   8.6531   47.735   13.014   58.221   11.375 -10.48624 17.28504 
1 1 1   12    9   60 o  162.209   6.0638  184.752   12.223  190.837   14.760  171.471   21.805  167.073   6.5191  157.345   10.226 9.728073 12.12761 
1 1 1   12    9   61 o  115.929   6.5326   92.681   9.4062   92.379   11.247   93.385   17.157  116.071   7.1504  115.787   10.935 0.2835846 13.06514 
1 1 1   12    9   62 o  145.915   4.8243  145.667   9.5095  130.273   13.136  162.618   13.784  137.779   7.0355  154.052   6.6030 -16.27324 9.648686 
1 1 1   12    9   63 o   69.642   8.0822   34.314   7.0958   33.691   8.7965   35.473   12.006   69.652   9.3195   69.631   13.207 0.2168274E-01 16.16439 
1 1 1   12    9   64 o   81.145   7.0012   44.684   7.3879   41.563   9.1058   50.696   12.638   77.401   8.6814   84.888   10.986 -7.487602 14.00244 
1 1 1   12    9   65 o   40.328   9.6947   11.288   6.3069   8.4555   10.526   12.875   7.8775   38.553   14.627   42.104   12.727 -3.551613 19.38934 
1 1 1   12    9   66 o  131.181   5.8790  116.695   9.9670  129.775   17.228  110.115   12.220  136.119   9.3397  126.243   7.1428 9.876328 11.75793 
1 1 1   12    9   67 o  106.232   5.3725   78.355   7.6888   67.721   10.701   89.705   11.055   98.638   8.0057  113.825   7.1669 -15.18718 10.74505 
1 1 1   12    9   68 o   67.456   7.1589   32.901   6.3093   38.333   8.9085   27.433   8.9368   73.862   8.9003   61.051   11.215 12.81102 14.31787 
1 1 1   12    9   69 o  128.439   5.0146  114.744   8.7165  121.355   12.328  108.134   12.326  132.237   6.8793  124.641   7.2978 7.595650 10.02910 
1 1 1   12    9   70 o   78.780   6.1865   43.854   6.6025   44.353   9.2596   43.338   9.4170   79.283   8.6184   78.276   8.8777 1.007103 12.37300 
1 1 1   12    9   71 o  108.852   5.3714   82.762   7.9079   76.536   10.837   89.854   11.566  104.460   7.6553  113.243   7.5367 -8.783806 10.74273 
1 1 1   12    9   72 o   72.213   8.4244   39.282   7.6299   37.815   12.728   40.105   9.5325   69.579   13.984   74.846   9.3985 -5.266312 16.84875 
1 1 1   12    9   73 o   59.303   9.2961   28.404   7.2013   22.158   11.959   31.957   9.0199   52.156   15.663   66.449   10.017 -14.29272 18.59213 
1 1 1   12    9   74 o  100.010   7.1002   76.066   8.9615   60.579   14.630   85.367   11.337   90.031   11.991  109.989   7.6065 -19.95752 14.20036 
1 1 1   12    9   75 o   29.374   9.2490  -1.2091   7.3265  -1.9252   9.5845  -0.2023   11.364   27.675   12.395   31.074   13.731 -3.399652 18.49801 
1 1 1   12    9   76 o   75.043   9.8927   44.988   9.7260   49.026   13.172   40.146   14.422   80.549   12.067   69.536   15.680 11.01263 19.78548 
1 1 1   12    9   77 o   53.883   11.276   24.556   8.8117   21.999   11.988   27.561   12.997   51.024   15.755   56.741   16.136 -5.717117 22.55177 
1 1 1   12    9   78 o   52.516   10.673   22.380   8.9438   9.2175   12.334   36.974   12.988   38.259   15.433   66.773   14.747 -28.51350 21.34626 
1 1 1   12    9   79 o   34.753   10.362   5.3658   8.3209   3.4769   11.248   7.6493   12.367   32.760   14.076   36.746   15.210 -3.986877 20.72408 
1 1 1   12    9   80 o   36.346   15.217   7.3879   12.581   0.0000   0.0000   7.3879   12.581  ?   ?    36.346   15.217      ?      ? 
1 1 1   12    9   81 o   36.353   10.495   7.1476   8.6162   15.226   12.302  -0.6297   12.071   42.284   15.865   30.423   13.743 11.86115 20.98954 
1 1 1   12    9   82 o   27.358   8.8546  -6.7939   7.8810 -18.2514   10.990   5.3372   11.308   21.525   10.604   33.191   14.183 -11.66613 17.70918 
1 1 1   12    9   83 o   27.109   8.9506  -5.1747   8.2009  -9.5433   11.718  -0.9808   11.481   25.242   12.078   28.975   13.212 -3.732767 17.90113 
1 1 1   12    9   84 o   30.442   9.7069   1.3280   8.5287   4.2452   11.951  -1.6998   12.175   32.013   14.117   28.872   13.327 3.141834 19.41371 
1 1 1   12    9   85 o   31.922   14.037   5.1719   11.740   5.1719   11.740   0.0000   0.0000   31.922   14.037  ?   ?       ?      ? 
1 1 1   12   10    0 o  148.088   5.2053  152.137   10.176  129.925   15.553  168.761   13.456  138.403   8.2928  157.772   6.2936 -19.36905 10.41050 
1 1 1   12   10    1 o  297.408   6.8885  598.172   27.542  584.846   36.529  615.728   41.928  293.607   9.1809  301.210   10.272 -7.603363 13.77696 
1 1 1   12   10    2 f  268.289   6.7103  490.700   24.150  506.276   32.250  470.813   36.440  273.189   8.7112  263.389   10.209 9.799133 13.42064 
1 1 1   12   10    3 o  623.800   9.4036  2634.73   74.254  2618.30   90.020  2669.70  131.342  621.074   10.696  626.526   15.470 -5.451721 18.80724 
1 1 1   12   10    4 o  222.641   4.5078  334.601   13.570  311.960   18.479  361.102   19.992  214.503   6.3573  230.779   6.3927 -16.27637 9.015620 
1 1 1   12   10    5 o  462.083   6.1028  1448.28   38.208  1436.66   53.467  1460.41   54.622  460.192   8.5736  463.973   8.6874 -3.781342 12.20560 
1 1 1   12   10    6 o  459.106   6.0748  1427.73   37.761  1378.31   52.077  1482.52   54.834  450.746   8.5257  467.467   8.6560 -16.72058 12.14962 
1 1 1   12   10    7 o  207.760   4.4632  293.208   12.512  327.362   17.808  259.913   17.582  219.737   5.9803  195.782   6.6271 23.95546 8.926498 
1 1 1   12   10    8 o  358.668   5.2659  872.429   25.583  908.203   36.402  837.513   35.962  365.938   7.3406  351.398   7.5521 14.53952 10.53178 
1 1 1   12   10    9 o  474.557   7.7539  1540.44   46.602  1561.25   56.806  1497.62   81.497  479.684   8.7389  469.431   12.811 10.25314 15.50787 
1 1 1   12   10   10 o  344.880   6.1263  797.291   23.823  789.587   26.959  824.749   50.896  341.259   5.8296  348.502   10.777 -7.243866 12.25255 
1 1 1   12   10   11 o  366.391   6.3097  911.576   26.333  912.059   29.999  909.955   54.969  366.758   6.0360  366.023   11.082 0.7344360 12.61941 
1 1 1   12   10   12 o  347.485   6.1527  817.034   24.216  815.093   27.503  823.730   51.082  346.717   5.8536  348.253   10.824 -1.536621 12.30548 
1 1 1   12   10   13 o  275.679   5.7093  523.127   17.646  529.111   20.029  502.377   37.298  279.362   5.2907  271.997   10.119 7.365051 11.41858 
1 1 1   12   10   14 o  365.143   6.2243  866.484   25.427  838.574   28.539  973.934   55.996  351.658   5.9887  378.628   10.913 -26.96964 12.44861 
1 1 1   12   10   15 o  373.036   6.3789  954.078   27.237  962.428   31.160  927.040   56.073  376.721   6.1038  369.351   11.203 7.369995 12.75781 
1 1 1   12   10   16 o  187.212   4.8572  237.613   12.323  237.613   12.323   0.0000   0.0000  187.212   4.8572  ?   ?       ?      ? 
1 1 1   12   10   17 o  478.785   7.1274  1555.24   46.244  1555.24   46.244   0.0000   0.0000  478.785   7.1274  ?   ?       ?      ? 
1 1 1   12   10   18 o  153.806   4.8822  160.390   10.176  160.390   10.176   0.0000   0.0000  153.806   4.8822  ?   ?       ?      ? 
1 1 1   12   10   19 o  717.779   9.9378  3517.36   83.009  3524.22   95.537  3496.23  167.683  720.230   9.7885  715.328   17.298 4.902466 19.87569 
1 1 1   12   10   20 o  185.700   5.2425  222.593   10.724  214.932   11.962  253.970   24.208  178.040   4.9581  193.361   9.2387 -15.32159 10.48508 
1 1 1   12   10   21 f  407.806   6.6580  1124.85   31.080  1120.46   35.445  1139.44   64.646  406.390   6.4361  409.221   11.657 -2.831146 13.31607 
1 1 1   12   10   22 o  477.518   7.3408  1557.76   40.572  1564.62   46.600  1536.26   82.479  480.138   7.1620  474.898   12.816 5.240509 14.68166 
1 1 1   12   10   23 o  204.014   5.2811  274.185   12.027  268.068   13.517  297.432   26.351  198.820   5.0169  209.209   9.2947 -10.38870 10.56221 
1 1 1   12   10   24 o  218.276   5.3326  319.434   13.026  316.363   14.698  330.678   28.123  215.984   5.0219  220.568   9.4088 -4.583954 10.66510 
1 1 1   12   10   25 o  322.877   5.9886  714.164   22.070  719.318   25.210  697.253   45.667  325.626   5.7131  320.127   10.527 5.499573 11.97716 
1 1 1   12   10   26 o  176.695   5.6974  212.599   12.476  213.370   14.904  210.795   22.807  177.323   6.2023  176.068   9.5590 1.254517 11.39488 
1 1 1   12   10   27 o  323.159   6.3295  709.412   25.725  708.576   31.053  711.240   45.931  323.052   7.0933  323.267   10.485 -0.2151489 12.65891 
1 1 1   12   10   28 o  381.574   6.7965  969.078   32.423  936.845   38.658  1045.53   59.538  371.375   7.6814  391.772   11.215 -20.39688 13.59300 
1 1 1   12   10   29 f  215.740   6.2061  315.905   18.144  315.905   18.144   0.0000   0.0000  215.740   6.2061  ?   ?       ?      ? 
1 1 1   12   10   30 o  237.275   6.6478  383.084   21.354  384.235   29.566  381.830   30.874  237.671   9.1798  236.880   9.6180 0.7899170 13.29570 
1 1 1   12   10   31 o  171.419   5.3524  198.055   11.739  204.480   20.427  194.887   14.344  173.403   8.6929  169.436   6.2470 3.966644 10.70471 
1 1 1   12   10   32 o  115.522   4.5799   90.517   7.1640   88.281   9.8948   92.981   10.386  114.027   6.4035  117.017   6.5495 -2.989861 9.159734 
1 1 1   12   10   33 o  180.639   4.3514  221.640   10.642  224.368   14.800  218.719   15.315  181.799   6.0073  179.479   6.2968 2.320038 8.702716 
1 1 1   12   10   34 f  167.558   5.3863  197.106   11.669  167.366   18.775  215.822   14.894  156.830   8.8343  178.286   6.1649 -21.45677 10.77269 
1 1 1   12   10   35 o  100.058   5.7798   68.091   7.6272   68.113   12.288   68.077   9.7279  100.028   9.0654  100.089   7.1722 -0.6130219E-01 11.55953 
1 1 1   12   10   36 o  216.374   4.4743  318.200   13.110  327.724   18.402  308.384   18.682  219.676   6.1817  213.072   6.4703 6.603531 8.948586 
1 1 1   12   10   37 o   77.972   5.5556   41.687   5.8218   45.364   7.9890   37.524   8.5013   81.691   7.2167   74.254   8.4486 7.437660 11.11119 
1 1 1   12   10   38 o  158.901   4.4333  171.465   9.5384  170.258   13.200  172.784   13.799  158.324   6.1523  159.479   6.3849 -1.154892 8.866666 
1 1 1   12   10   39 f  282.696   4.8038  543.160   18.384  576.161   26.201  511.156   25.802  291.174   6.6403  274.219   6.9435 16.95499 9.607607 
1 1 1   12   10   40 o  200.957   4.4749  274.473   12.179  276.831   16.968  271.968   17.491  201.859   6.2029  200.056   6.4516 1.802719 8.949809 
1 1 1   12   10   41 o  230.408   4.5734  360.823   14.271  361.515   19.849  360.083   20.533  230.649   6.3505  230.166   6.5830 0.4822693 9.146836 
1 1 1   12   10   42 o  335.038   7.2254  763.564   32.805  763.564   32.805   0.0000   0.0000  335.038   7.2254  ?   ?       ?      ? 
1 1 1   12   10   43 o  114.530   9.2686   89.473   14.385   89.473   14.385   0.0000   0.0000  114.530   9.2686  ?   ?       ?      ? 
1 1 1   12   10   44 o  221.690   6.3177  335.010   18.963  354.987   27.115  315.887   26.529  228.182   8.7689  215.198   9.0971 12.98384 12.63531 
1 1 1   12   10   45 o  374.538   5.4921  955.513   27.869  972.680   39.249  938.056   39.578  377.956   7.6630  371.119   7.8697 6.837677 10.98423 
1 1 1   12   10   46 o  205.314   4.5431  286.628   12.636  285.904   17.628  287.393   18.121  205.057   6.3439  205.572   6.5050 -0.5148926 9.086233 
1 1 1   12   10   47 o   92.320   5.3584   58.073   6.6907   58.429   9.1961   57.673   9.7526   92.636   7.3255   92.004   7.8222 0.6322937 10.71684 
1 1 1   12   10   48 o  257.659   5.7988  447.330   19.188  469.484   33.250  436.268   23.495  262.137   9.3600  253.181   6.8479 8.955399 11.59757 
1 1 1   12   10   49 o  186.940   5.6346  238.841   13.571  236.547   23.033  240.061   16.795  186.064   9.1351  187.816   6.5988 -1.752106 11.26920 
1 1 1   12   10   50 o  334.171   5.2068  761.054   23.578  762.112   33.218  759.979   33.472  334.414   7.3301  333.928   7.3967 0.4856567 10.41356 
1 1 1   12   10   51 o  127.380   4.9076  110.489   8.4669  105.560   11.837  115.654   12.116  124.465   7.0181  130.296   6.8618 -5.831184 9.815208 
1 1 1   12   10   52 o  204.660   4.5962  285.236   12.746  280.882   17.872  289.743   18.183  203.072   6.4945  206.249   6.5056 -3.176208 9.192416 
1 1 1   12   10   53 o  236.932   6.6746  382.658   21.431   0.0000   0.0000  382.658   21.431  ?   ?   236.932   6.6746      ?      ? 
1 1 1   12   10   54 o  123.091   5.9229   99.925   9.4614  116.827   16.361   91.432   11.597  130.485   9.2525  115.697   7.3970 14.78841 11.84587 
1 1 1   12   10   55 o  247.974   5.8539  426.340   18.694  404.382   31.373  438.429   23.278  242.514   9.5463  253.433   6.7781 -10.91896 11.70789 
1 1 1   12   10   56 o   91.130   5.7096   56.984   6.9833   47.144   9.6930   67.603   10.070   82.867   8.6317   99.394   7.4760 -16.52744 11.41913 
1 1 1   12   10   57 o  102.179   5.4062   71.559   7.4824   71.919   10.443   71.179   10.726  102.462   7.5209  101.896   7.7680 0.5654526 10.81230 
1 1 1   12   10   58 o  142.353   4.8587  138.706   9.3690  139.013   13.073  138.381   13.434  142.536   6.7679  142.169   6.9731 0.3671722 9.717433 
1 1 1   12   10   59 o   74.620   6.3372   38.433   6.3550   32.201   8.8006   45.223   9.1866   68.211   9.5208   81.029   8.3662 -12.81786 12.67436 
1 1 1   12   10   61 o   71.824   9.2914   35.060   7.6889   32.855   8.8116   42.097   15.741   68.755   9.4572   74.893   15.996 -6.138252 18.58274 
1 1 1   12   10   62 o  100.458   5.3537   69.640   7.2838   70.139   10.147   69.108   10.462  100.865   7.4234  100.052   7.7164 0.8129959 10.70745 
1 1 1   12   10   63 o  123.244   5.0140  104.653   8.3700  102.545   11.622  106.925   12.065  121.973   7.0311  124.515   7.1500 -2.541710 10.02794 
1 1 1   12   10   64 o   58.180   7.6791   24.479   5.9006   27.490   8.2903   21.389   8.4003   62.557   9.7795   53.804   11.842 8.752811 15.35824 
1 1 1   12   10   65 o   77.499   7.9114   44.505   7.5829   39.353   12.659   47.388   9.4700   72.610   13.357   82.388   8.4821 -9.778778 15.82275 
1 1 1   12   10   66 o   48.326   9.7036   18.465   6.7957   12.126   11.386   21.972   8.4695   42.368   15.372   54.283   11.846 -11.91544 19.40711 
1 1 1   12   10   67 o   71.376   6.7371   36.144   6.4466   29.775   8.9562   42.992   9.2866   64.602   10.230   78.151   8.7688 -13.54865 13.47422 
1 1 1   12   10   68 f   82.068   6.1316   47.659   6.7967   50.906   9.4925   44.242   9.7360   85.107   8.2306   79.029   9.0909 6.077354 12.26329 
1 1 1   12   10   69 f   73.559   8.9666   45.162   7.8463   27.817   13.013   55.071   9.8354   58.712   15.944   88.406   8.2097 -29.69471 17.93323 
1 1 1   12   10   70 o   74.635   8.1467   41.909   7.7119   38.769   12.399   43.889   9.8488   70.891   13.398   78.380   9.2725 -7.488976 16.29331 
1 1 1   12   10   71 o   60.314   9.1055   26.795   7.0487   35.020   11.681   22.084   8.8395   67.163   13.304   53.465   12.435 13.69740 18.21095 
1 1 1   12   10   72 o   96.584   7.0640   67.740   8.8023   67.306   14.812   67.978   10.945   95.335   11.465   97.833   8.2552 -2.498596 14.12796 
1 1 1   12   10   73 o  106.946   7.0775   87.258   9.5128   69.551   15.652   97.631   11.979   96.298   11.994  117.593   7.5173 -21.29556 14.15510 
1 1 1   12   10   74 o   75.419   9.5489   44.021   9.4855   36.785   12.814   52.791   14.108   67.497   14.446   83.341   12.492 -15.84357 19.09786 
1 1 1   12   10   75 o   36.787   10.420   6.7190   8.0035   1.6656   10.549   13.574   12.286   31.185   13.515   42.389   15.864 -11.20487 20.84033 
1 1 1   12   10   76 o   43.108   15.254   14.861   11.136   14.861   11.136   0.0000   0.0000   43.108   15.254  ?   ?       ?      ? 
1 1 1   12   10   77 o   30.316   9.5209  -0.6873   7.7778  -4.0155   10.265   3.7987   11.918   26.935   12.361   33.697   14.484 -6.762280 19.04178 
1 1 1   12   10   78 o   47.209   11.470   18.993   8.8011   15.545   11.505   23.858   13.665   43.177   15.480   51.242   16.930 -8.065155 22.94043 
1 1 1   12   10   79 o   33.800   10.008   4.2935   8.2667   11.787   11.119  -4.9675   12.361   39.004   14.977   28.596   13.280 10.40754 20.01668 
1 1 1   12   10   80 o   52.347   16.767   26.103   13.459   0.0000   0.0000   26.103   13.459  ?   ?    52.347   16.767      ?      ? 
1 1 1   12   10   81 o   26.840   12.496  -4.4643   11.056   0.0000   0.0000  -4.4643   11.056  ?   ?    26.840   12.496      ?      ? 
1 1 1   12   11    0 o  208.599   4.5348  295.746   12.786  317.531   17.981  273.463   18.185  216.395   6.1316  200.803   6.6828 15.59119 9.069581 
1 1 1   12   11    1 o  456.163   6.0950  1411.77   37.668  1455.39   53.705  1369.53   52.848  463.102   8.5576  449.224   8.6813 13.87708 12.19006 
1 1 1   12   11    2 o  216.535   4.5226  318.037   13.256  319.376   18.344  316.574   19.178  217.016   6.2377  216.053   6.5503 0.9632416 9.045185 
1 1 1   12   11    3 o  137.322   4.5955  127.416   8.5251  122.285   11.524  133.619   12.670  134.282   6.3328  140.361   6.6612 -6.078552 9.191076 
1 1 1   12   11    4 o  466.005   6.1853  1472.54   39.035  1547.70   56.092  1401.96   54.357  477.531   8.6680  454.478   8.8259 23.05289 12.37051 
1 1 1   12   11    5 o  916.979   10.546  5725.46  131.033  5814.60  186.661  5638.86  183.985  924.017   14.907  909.942   14.921 14.07458 21.09128 
1 1 1   12   11    6 o  143.697   5.5322  139.774   10.141  139.119   12.387  141.106   17.658  143.222   6.3823  144.172   9.0382 -0.9501038 11.06444 
1 1 1   12   11    7 o  561.753   8.6050  2179.95   62.376  2264.82   78.045  2029.85  103.784  577.459   9.9733  546.046   14.026 31.41278 17.20999 
1 1 1   12   11    8 o  611.844   10.543  2543.48   87.415  2543.48   87.415   0.0000   0.0000  611.844   10.543  ?   ?       ?      ? 
1 1 1   12   11    9 o  425.403   8.1504  1228.26   46.985  1228.26   46.985   0.0000   0.0000  425.403   8.1504  ?   ?       ?      ? 
1 1 1   12   11   10 o  164.695   6.0580  183.963   13.520  183.963   13.520   0.0000   0.0000  164.695   6.0580  ?   ?       ?      ? 
1 1 1   12   11   11 o  323.163   6.3879  713.769   25.805  721.218   31.083  697.250   46.288  326.035   7.0351  320.292   10.664 5.743256 12.77589 
1 1 1   12   11   12 o  263.520   6.0303  483.069   19.776  502.329   23.932  441.597   35.118  272.120   6.4898  254.921   10.166 17.19914 12.06065 
1 1 1   12   11   13 o  191.329   5.6779  242.581   13.260  235.252   15.549  262.125   25.392  186.230   6.1612  196.427   9.5390 -10.19696 11.35579 
1 1 1   12   11   14 o  243.494   5.8711  399.777   17.588  395.974   20.833  409.214   32.817  241.596   6.3632  245.391   9.8687 -3.794754 11.74228 
1 1 1   12   11   15 o  418.591   7.1859  1174.11   37.560  1148.33   44.850  1234.65   68.728  411.259   8.0475  425.922   11.907 -14.66306 14.37184 
1 1 1   12   11   16 o  116.329   6.8742  102.679   9.0732  114.695   10.690   71.722   17.159  130.028   6.0668  102.630   12.337 27.39763 13.74843 
1 1 1   12   11   17 o  556.287   8.6420  2094.30   60.627  2071.98   73.189  2143.11  108.227  552.095   9.7825  560.479   14.249 -8.383545 17.28406 
1 1 1   12   11   18 o  462.429   7.6713  1464.96   44.915  1483.68   54.732  1426.37   78.599  467.331   8.6424  457.528   12.677 9.803131 15.34265 
1 1 1   12   11   19 o  158.992   5.9914  174.786   11.433  178.481   13.437  165.097   21.758  162.190   6.1137  155.795   10.306 6.395157 11.98278 
1 1 1   12   11   20 o  123.557   6.2776  104.693   9.3107  105.812   10.914  101.704   17.845  124.867   6.4500  122.247   10.772 2.619850 12.55523 
1 1 1   12   11   21 o  331.899   6.4310  744.839   26.690  738.575   32.007  759.134   48.354  329.825   7.1611  333.973   10.684 -4.147705 12.86196 
1 1 1   12   11   22 o   84.607   7.1655   47.245   7.3055   45.608   8.4911   51.911   14.334   81.946   7.6464   87.269   12.121 -5.322884 14.33102 
1 1 1   12   11   23 o  142.987   5.7375  137.867   10.131  136.394   12.029  141.462   18.792  141.763   6.2614  144.211   9.6161 -2.447998 11.47496 
1 1 1   12   11   24 o  139.785   5.9195  134.553   10.202  137.128   12.191  128.538   18.634  142.137   6.3293  137.432   10.005 4.704346 11.83904 
1 1 1   12   11   25 o  273.793   5.6689  505.955   17.604  503.122   19.990  515.741   37.154  272.314   5.4170  275.272   9.9601 -2.957214 11.33789 
1 1 1   12   11   26 o  218.742   6.6146  323.853   19.551  303.437   26.452  348.432   29.024  211.195   9.2427  226.290   9.4649 -15.09532 13.22921 
1 1 1   12   11   27 o  250.472   5.6089  432.114   15.940  436.993   18.182  415.906   33.138  253.783   5.2869  247.161   9.8938 6.622009 11.21780 
1 1 1   12   11   28 o  194.734   5.3527  249.624   11.654  243.687   13.102  272.113   25.502  189.519   5.1016  199.949   9.4116 -10.43071 10.70538 
1 1 1   12   11   29 o  145.316   6.0861  151.352   10.540  161.235   12.499  127.029   19.609  154.114   5.9848  136.517   10.599 17.59689 12.17224 
1 1 1   12   11   30 o  349.058   6.5695  825.748   28.702  819.798   34.460  839.224   51.863  347.327   7.3215  350.789   10.910 -3.462616 13.13896 
1 1 1   12   11   31 o  338.656   6.1483  775.145   23.772  770.644   27.070  790.314   49.693  336.911   5.9292  340.400   10.773 -3.489288 12.29659 
1 1 1   12   11   32 o  147.813   5.6236  148.688   9.2336  148.759   10.416  148.429   19.953  148.053   5.1916  147.572   9.9774 0.4809570 11.24724 
1 1 1   12   11   33 o  203.183   4.4124  280.328   12.143  278.507   16.878  282.283   17.482  202.506   6.1505  203.860   6.3283 -1.354431 8.824715 
1 1 1   12   11   34 o  126.821   4.5504  109.202   7.8165  107.362   10.853  111.185   11.267  125.715   6.3708  127.927   6.4991 -2.211937 9.100844 
1 1 1   12   11   35 o  233.324   4.5406  369.592   14.348  362.007   19.889  377.824   20.720  230.835   6.3581  235.812   6.4839 -4.976471 9.081100 
1 1 1   12   11   36 o  175.972   4.4350  210.197   10.569  205.715   14.619  215.104   15.297  174.014   6.1993  177.930   6.3440 -3.915863 8.870050 
1 1 1   12   11   37 o  284.506   5.8446  561.172   21.388  585.394   26.701  517.799   35.730  293.463   6.7140  275.548   9.5686 17.91541 11.68913 
1 1 1   12   11   38 o  162.053   5.4423  185.794   11.267  203.812   14.204  155.225   18.501  173.202   6.0517  150.904   9.0471 22.29823 10.88453 
1 1 1   12   11   39 o  320.720   5.0870  699.821   22.099  726.366   31.327  673.528   31.178  326.796   7.0739  314.644   7.3122 12.15137 10.17390 
1 1 1   12   11   40 o  130.125   4.7428  114.790   8.3507  108.282   11.445  122.199   12.212  126.193   6.6926  134.056   6.7220 -7.862793 9.485583 
1 1 1   12   11   41 o  196.561   6.0265  272.008   14.506  284.926   17.397  242.535   26.278  204.737   6.2703  188.385   10.294 16.35150 12.05295 
1 1 1   12   11   42 o  107.696   6.6808   76.229   8.7891   72.630   10.277   86.027   16.958  103.300   7.3416  112.092   11.164 -8.792534 13.36158 
1 1 1   12   11   43 o  240.985   4.6907  395.055   15.309  412.800   21.735  377.585   21.566  246.373   6.5101  235.597   6.7549 10.77614 9.381399 
1 1 1   12   11   44 o  161.908   4.5916  178.541   10.060  187.367   14.122  169.448   14.334  165.996   6.2779  157.819   6.7022 8.176193 9.183235 
1 1 1   12   11   45 o   61.656   7.1017   26.325   5.7806   23.191   7.9869   29.773   8.3772   57.298   10.679   66.014   9.3644 -8.716396 14.20340 
1 1 1   12   11   46 o   62.787   6.8191   26.959   5.8019   26.877   8.1773   27.041   8.2332   62.692   9.6252   62.881   9.6620 -0.1884651 13.63817 
1 1 1   12   11   47 o  164.554   5.5079  180.392   11.742  198.987   20.180  170.873   14.439  170.684   8.7245  158.424   6.7255 12.25931 11.01587 
1 1 1   12   11   48 o  125.309   9.1557  107.401   15.547   0.0000   0.0000  107.401   15.547  ?   ?   125.309   9.1557      ?      ? 
1 1 1   12   11   49 o   60.515   9.4948   27.349   8.1435   11.159   11.986   41.230   11.098   43.547   15.776   77.483   10.570 -33.93550 18.98962 
1 1 1   12   11   50 o  162.908   5.6293  181.905   11.851  179.327   19.957  183.310   14.729  161.807   9.1015  164.009   6.6271 -2.202057 11.25852 
1 1 1   12   11   51 o  136.621   5.8610  128.692   10.280  124.575   17.464  130.875   12.717  134.716   9.5661  138.526   6.7744 -3.810486 11.72192 
1 1 1   12   11   52 o  164.650   4.6455  184.811   10.361  178.277   14.470  191.686   14.843  161.660   6.6054  167.641   6.5337 -5.981308 9.290901 
1 1 1   12   11   53 o   78.654   6.0315   42.371   6.4212   39.604   8.9069   45.366   9.2657   75.971   8.6516   81.338   8.4062 -5.367538 12.06297 
1 1 1   12   11   54 o   86.014   5.7116   50.749   6.6539   51.087   9.2770   50.389   9.5489   86.329   7.9299   85.700   8.2222 0.6289902 11.42313 
1 1 1   12   11   55 o  125.026   4.9952  107.028   8.4561  108.004   11.752  105.981   12.176  125.645   6.9022  124.406   7.2227 1.239471 9.990384 
1 1 1   12   11   56 o   99.417   6.1734   65.029   8.0206   57.315   9.8881   79.867   13.714   91.323   7.9900  107.511   9.4129 -16.18780 12.34676 
1 1 1   12   11   57 o  115.125   5.8723   89.652   8.7859   85.661   10.866   97.187   14.931  111.735   7.1763  118.515   9.2971 -6.779457 11.74456 
1 1 1   12   11   58 o   37.561   8.8671   9.3503   5.3607   7.0243   7.4524   11.844   7.7168   34.256   12.435   40.867   12.644 -6.611107 17.73412 
1 1 1   12   11   59 f  159.987   4.6934  175.714   10.172  176.518   14.217  174.870   14.559  160.392   6.5410  159.583   6.7324 0.8097687 9.386733 
1 1 1   12   11   60 o  165.630   6.1494  193.988   12.547  199.424   15.045  181.568   22.740  170.385   6.5158  160.874   10.431 9.511520 12.29879 
1 1 1   12   11   61 o   81.797   7.5771   42.470   7.7094   36.144   9.0042   59.844   14.922   71.949   9.2350   91.646   12.015 -19.69740 15.15429 
1 1 1   12   11   62 o  123.416   4.9971  104.961   8.3470   99.326   11.477  111.288   12.162  119.910   7.0628  126.922   7.0710 -7.011993 9.994140 
1 1 1   12   11   63 o  170.093   4.7819  199.678   11.017  192.186   15.314  207.713   15.860  166.783   6.7759  173.403   6.7493 -6.619690 9.563781 
1 1 1   12   11   64 o   96.261   5.6328   64.560   7.3392   60.362   10.191   69.082   10.578   92.971   8.0891   99.550   7.8409 -6.578758 11.26559 
1 1 1   12   11   65 o   82.699   8.6865   56.773   8.2498   32.553   13.468   71.318   10.437   64.291   15.614  101.106   7.6176 -36.81584 17.37309 
1 1 1   12   11   66 o   81.604   8.9598   47.126   9.9081   0.0000   0.0000   47.126   9.9081  ?   ?    81.604   8.9598      ?      ? 
1 1 1   12   11   67 o   55.873   9.1046   27.241   7.3132   9.3909   12.361   36.854   9.0710   39.825   15.651   71.921   9.3072 -32.09588 18.20925 
1 1 1   12   11   68 f   62.766   9.1043   27.913   7.1857   39.640   12.592   22.249   8.7504   71.654   13.462   53.878   12.261 17.77626 18.20859 
1 1 1   12   11   69 o   29.162   8.8520   1.0222   6.1212   3.0116   9.8961  -0.2106   7.7903   31.895   13.433   26.429   11.533 5.465963 17.70407 
1 1 1   12   11   70 o   59.060   9.2839   27.125   7.0258   27.847   11.668   26.715   8.7999   58.738   14.695   59.381   11.349 -0.6432762 18.56784 
1 1 1   12   11   71 o   85.041   9.1420   55.031   10.031   41.105   13.591   71.691   14.866   71.653   14.495   98.430   11.145 -26.77654 18.28408 
1 1 1   12   11   72 o   37.729   10.522   8.1551   7.9862   4.3046   10.682   13.034   12.025   33.445   14.014   42.014   15.700 -8.568790 21.04457 
1 1 1   12   11   73 o   42.608   10.892   12.300   8.2782   5.8098   10.745   21.776   12.984   34.586   14.234   50.629   16.492 -16.04236 21.78499 
1 1 1   12   11   74 o   46.101   11.383   17.581   8.8962   21.055   12.228   13.676   12.966   49.728   15.988   42.474   16.206 7.253983 22.76509 
1 1 1   12   11   75 o   89.542   8.8364   62.533   10.625   66.657   14.514   57.769   15.598   93.665   11.435   85.419   13.475 8.246040 17.67278 
1 1 1   12   11   76 f   22.702   10.941 -11.9582   10.020 -11.9582   10.020   0.0000   0.0000   22.702   10.941  ?   ?       ?      ? 
1 1 1   12   11   77 f   80.597   10.226   53.208   10.628   27.448   14.004   88.188   16.319   54.214   17.076  106.980   11.257 -52.76619 20.45250 
1 1 1   12   11   78 o   44.875   16.192   18.198   12.608   18.198   12.608   0.0000   0.0000   44.875   16.192  ?   ?       ?      ? 
1 1 1   12   12    0 o  163.155   4.5523  179.767   10.039  169.184   13.620  192.358   14.856  157.923   6.3644  168.387   6.5105 -10.46426 9.104517 
1 1 1   12   12    1 o  352.735   5.3076  844.684   25.362  855.852   35.571  833.136   36.172  355.116   7.3917  350.353   7.6187 4.762329 10.61518 
1 1 1   12   12    2 o  457.211   6.1258  1419.75   37.949  1444.96   53.635  1394.48   53.703  461.285   8.5801  453.136   8.7455 8.148499 12.25160 
1 1 1   12   12    3 o  214.080   4.5651  310.277   13.218  301.051   18.042  320.968   19.422  210.658   6.3199  217.503   6.5893 -6.845123 9.130202 
1 1 1   12   12    4 o  247.518   4.6924  416.350   15.714  437.697   22.030  394.240   22.420  253.999   6.4003  241.038   6.8639 12.96194 9.384876 
1 1 1   12   12    5 o  226.439   4.6075  346.856   14.109  332.743   19.214  363.372   20.785  221.460   6.4022  231.417   6.6278 -9.957306 9.214987 
1 1 1   12   12    6 o  195.338   4.5322  259.120   11.971  262.753   16.463  255.044   17.439  196.802   6.1730  193.875   6.6377 2.927109 9.064491 
1 1 1   12   12    7 o  468.204   6.2118  1489.15   39.406  1490.83   55.234  1487.41   56.235  468.484   8.7002  467.923   8.8685 0.5614319 12.42352 
1 1 1   12   12    8 o  227.671   4.6051  351.615   14.186  349.953   19.505  353.483   20.670  227.108   6.3376  228.234   6.6829 -1.125275 9.210176 
1 1 1   12   12    9 o  112.010   5.0324   86.302   7.5291   94.567   10.161   76.241   11.211  118.057   6.3516  105.964   7.8076 12.09238 10.06488 
1 1 1   12   12   10 o  556.520   8.2216  2109.89   52.859  2111.10   60.606  2106.07  108.051  557.548   8.0215  555.492   14.354 2.055847 16.44316 
1 1 1   12   12   11 o  149.304   5.6866  141.867   8.9430  136.673   9.8273  166.896   21.571  141.957   5.1085  156.651   10.161 -14.69316 11.37326 
1 1 1   12   12   12 o  121.380   6.1212  101.458   7.6757  102.211   8.4753   98.020   18.102  122.762   5.0946  119.999   11.132 2.762527 12.24246 
1 1 1   12   12   13 o  362.175   6.4428  915.775   26.734  938.120   30.727  846.183   54.227  371.829   6.0981  352.521   11.351 19.30814 12.88560 
1 1 1   12   12   14 o  210.269   5.7555  318.349   13.212  332.175   14.986  270.090   27.997  221.306   4.9969  199.232   10.370 22.07410 11.51104 
1 1 1   12   12   15 o  169.275   5.5660  191.551   10.142  189.596   11.287  199.753   23.117  167.194   4.9816  171.357   9.9552 -4.162537 11.13204 
1 1 1   12   12   16 o  472.604   7.3490  1502.63   39.654  1487.82   45.112  1552.96   83.164  468.104   7.1116  477.104   12.863 -9.000000 14.69795 
1 1 1   12   12   17 o  156.223   5.7936  155.487   10.628  146.081   12.115  186.882   22.134  146.715   6.0937  165.732   9.8555 -19.01645 11.58724 
1 1 1   12   12   18 o  470.233   7.3678  1520.12   40.056  1533.96   46.043  1477.03   81.230  475.271   7.1489  465.194   12.885 10.07706 14.73569 
1 1 1   12   12   19 o  124.829   6.0181  105.761   7.9896  105.659   8.8776  106.199   18.327  124.797   5.2494  124.862   10.831 -0.6441498E-01 12.03622 
1 1 1   12   12   20 o  157.268   5.4930  163.356   9.4503  160.213   10.551  176.105   21.249  153.678   5.0665  160.859   9.7479 -7.180725 10.98599 
1 1 1   12   12   21 o  107.582   7.6423   77.521   11.015   63.229   14.631   96.216   16.734   96.309   11.211  118.855   10.390 -22.54563 15.28469 
1 1 1   12   12   22 o  294.884   5.8358  578.815   19.504  568.923   22.082  613.925   41.601  289.539   5.6278  300.228   10.225 -10.68872 11.67161 
1 1 1   12   12   23 o  155.147   5.7235  153.138   10.659  142.251   12.272  186.571   21.505  144.748   6.2564  165.546   9.5861 -20.79816 11.44705 
1 1 1   12   12   24 f  275.595   6.0356  514.454   20.568  511.342   24.472  521.943   37.957  274.397   6.5812  276.793   10.119 -2.396240 12.07119 
1 1 1   12   12   25 o  193.735   5.4546  251.748   11.776  249.220   13.264  261.147   25.581  191.648   5.1074  195.822   9.6398 -4.173553 10.90928 
1 1 1   12   12   26 o  257.765   5.6988  460.152   16.674  467.321   19.045  436.612   34.510  262.409   5.3557  253.121   10.061 9.287643 11.39764 
1 1 1   12   12   27 o  314.235   5.9758  663.925   21.361  657.362   24.264  686.539   45.041  311.175   5.7540  317.295   10.475 -6.120239 11.95151 
1 1 1   12   12   28 o  200.498   5.4471  267.664   12.259  263.324   13.828  283.599   26.497  196.977   5.1803  204.019   9.5838 -7.042191 10.89427 
1 1 1   12   12   29 o  156.969   5.6686  169.038   9.8041  170.076   11.043  165.174   21.304  158.302   5.1477  155.637   10.101 2.664734 11.33715 
1 1 1   12   12   30 o   82.653   7.8638   51.838   6.5194   54.836   7.3223   40.375   14.320   89.856   6.0133   75.450   14.533 14.40643 15.72761 
1 1 1   12   12   31 o  136.303   5.6318  115.630   8.4637  108.668   9.3969  145.548   19.481  126.514   5.4810  146.092   9.8400 -19.57805 11.26355 
1 1 1   12   12   32 o   65.267   7.5179   28.975   6.6493   28.975   6.6493   0.0000   0.0000   65.267   7.5179  ?   ?       ?      ? 
1 1 1   12   12   33 o   85.296   6.3994   49.440   7.3969   49.440   7.3969   0.0000   0.0000   85.296   6.3994  ?   ?       ?      ? 
1 1 1   12   12   34 o  315.062   6.1410  671.570   21.807  667.796   24.703  684.893   46.412  313.550   5.8139  316.574   10.819 -3.023834 12.28194 
1 1 1   12   12   35 o  194.686   5.5474  256.966   12.176  256.127   13.802  259.913   25.857  194.222   5.2438  195.151   9.7773 -0.9285126 11.09471 
1 1 1   12   12   36 o  163.729   5.7495  184.952   10.520  186.833   11.924  178.350   22.340  165.872   5.3050  161.585   10.202 4.286972 11.49894 
1 1 1   12   12   37 o  111.662   7.0945   84.824   10.735   84.824   10.735   0.0000   0.0000  111.662   7.0945  ?   ?       ?      ? 
1 1 1   12   12   38 o  244.832   6.7166  407.676   22.284   0.0000   0.0000  407.676   22.284  ?   ?   244.832   6.7166      ?      ? 
1 1 1   12   12   39 o  245.654   5.9805  406.932   18.152  400.670   21.541  422.274   33.716  242.728   6.5488  248.579   10.009 -5.850800 11.96093 
1 1 1   12   12   40 o  142.559   6.0613  134.473   10.537  129.435   12.332  148.103   20.283  137.947   6.5969  147.171   10.170 -9.223511 12.12253 
1 1 1   12   12   41 o   92.145   5.4441   57.906   6.7903   60.414   9.5403   55.330   9.6670   94.184   7.4748   90.105   7.9169 4.078590 10.88812 
1 1 1   12   12   42 o   79.967   5.9179   43.868   6.3331   35.603   8.8745   52.444   9.0404   72.202   9.0701   87.733   7.6040 -15.53100 11.83588 
1 1 1   12   12   43 o  167.103   4.5978  190.197   10.397  201.803   14.698  178.573   14.708  172.232   6.2972  161.973   6.7010 10.25903 9.195576 
1 1 1   12   12   44 o  252.289   4.7581  433.551   16.260  442.238   22.817  424.587   23.178  254.880   6.6060  249.698   6.8497 5.182037 9.516171 
1 1 1   12   12   45 o  203.984   4.6130  283.199   12.744  280.378   17.682  286.248   18.383  202.942   6.4297  205.027   6.6166 -2.085037 9.226019 
1 1 1   12   12   46 o  103.384   6.4594   74.441   8.5653   69.013   14.403   77.410   10.654  100.236   10.604  106.532   7.3797 -6.296272 12.91889 
1 1 1   12   12   47 o   82.498   8.4838   46.553   9.4846   0.0000   0.0000   46.553   9.4846  ?   ?    82.498   8.4838      ?      ? 
1 1 1   12   12   48 o  161.159   5.8067  179.990   11.936  170.616   20.429  184.849   14.707  157.657   9.5618  164.660   6.5910 -7.002869 11.61336 
1 1 1   12   12   49 o   98.730   5.4547   66.659   7.2972   66.889   10.256   66.423   10.385   98.910   7.6516   98.550   7.7761 0.3598328 10.90938 
1 1 1   12   12   50 o  209.589   4.7007  299.931   13.340  315.383   18.939  284.718   18.793  214.981   6.5011  204.197   6.7915 10.78467 9.401484 
1 1 1   12   12   51 o  197.452   5.7826  270.908   14.685  255.846   24.677  279.167   18.273  192.746   9.4478  202.158   6.6702 -9.411835 11.56518 
1 1 1   12   12   52 o  131.456   6.7726  119.287   12.052  118.061   17.389  120.420   16.720  130.746   9.8143  132.165   9.3356 -1.418625 13.54529 
1 1 1   12   12   53 o   73.729   7.7728   39.150   7.1799   41.393   9.0402   35.317   11.816   77.536   8.6039   69.922   12.948 7.613808 15.54559 
1 1 1   12   12   54 o  130.344   4.9281  115.973   8.6865  107.305   11.869  125.970   12.747  125.114   7.0005  135.574   6.9381 -10.45969 9.856192 
1 1 1   12   12   55 o  164.116   4.6899  184.614   10.429  185.907   14.649  183.286   14.849  164.718   6.5628  163.514   6.7014 1.203674 9.379726 
1 1 1   12   12   56 o  113.870   5.1002   89.144   7.8514   81.183   10.968   97.510   11.244  108.600   7.4530  119.139   6.9643 -10.53906 10.20039 
1 1 1   12   12   57 o  120.427   4.9953   99.779   8.1503   96.914   11.439  102.734   11.616  118.658   7.1140  122.196   7.0146 -3.537476 9.990624 
1 1 1   12   12   58 o  139.281   4.8383  133.208   9.1051  119.563   12.564  148.302   13.214  131.724   7.0384  146.838   6.6406 -15.11417 9.676602 
1 1 1   12   12   59 o   35.292   9.7543   5.8064   6.2167   4.8299   7.3426   8.2786   11.683   31.255   12.125   39.328   15.283 -8.072914 19.50862 
1 1 1   12   12   60 o   69.092   8.7866   33.658   7.2808   31.973   8.5736   38.013   13.788   67.492   9.3741   70.692   14.864 -3.199913 17.57327 
1 1 1   12   12   61 o   46.980   8.6815   16.722   5.7332   21.103   7.8945   11.832   8.3399   53.429   11.259   40.531   13.218 12.89854 17.36302 
1 1 1   12   12   62 o  121.237   6.3606  106.015   9.8378   95.234   16.496  111.966   12.256  115.480   10.541  126.994   7.1217 -11.51374 12.72116 
1 1 1   12   12   63 o   46.852   9.3585   18.028   6.6759   7.1227   11.655   23.354   8.1444   37.623   15.063   56.081   11.110 -18.45752 18.71703 
1 1 1   12   12   64 o   64.067   8.4971   27.974   7.0072   43.593   11.898   19.681   8.6703   77.433   11.339   50.702   12.658 26.73167 16.99411 
1 1 1   12   12   65 o   56.708   11.575   24.244   8.5937   0.0000   0.0000   24.244   8.5937  ?   ?    56.708   11.575      ?      ? 
1 1 1   12   12   66 o  129.037   7.3736  116.769   12.894   0.0000   0.0000  116.769   12.894  ?   ?   129.037   7.3736      ?      ? 
1 1 1   12   12   67 o   48.697   9.7497   19.262   6.8563   14.296   10.907   22.507   8.8157   43.387   15.116   54.007   12.318 -10.61975 19.49945 
1 1 1   12   12   68 o   63.752   10.047   31.613   8.7849   21.131   11.859   44.359   13.078   50.811   15.667   76.692   12.583 -25.88169 20.09433 
1 1 1   12   12   69 f   51.360   10.626   21.793   7.9711   24.892   10.760   18.024   11.867   55.535   14.232   47.184   15.784 8.350983 21.25286 
1 1 1   12   12   70 f   44.270   10.932   14.916   8.0339   11.556   10.520   19.617   12.445   39.887   14.728   48.653   16.160 -8.765591 21.86468 
1 1 1   12   12   71 o   50.880   11.043   20.908   8.5437   14.292   11.394   29.408   12.914   42.814   15.399   58.945   15.831 -16.13064 22.08550 
1 1 1   12   12   72 o   65.324   10.749   35.361   9.3138   31.465   12.516   40.197   13.943   61.235   15.162   69.412   15.241 -8.177334 21.49833 
1 1 1   12   12   73 o   70.308   10.222   41.585   9.6355   56.932   13.622   26.217   13.631   86.366   11.639   54.251   16.808 32.11480 20.44446 
1 1 1   12   12   74 o   49.202   11.517   21.384   8.9512   19.432   12.390   23.514   12.945   47.154   16.127   51.250   16.447 -4.096260 23.03429 
1 1 1   12   13    0 o  311.105   6.3717  662.802   25.341  642.894   43.481  673.042   31.185  307.372   10.439  314.839   7.3092 -7.467377 12.74334 
1 1 1   12   13    1 o  288.066   6.1564  555.581   22.556  588.062   39.942  540.373   27.331  294.015   10.025  282.117   7.1490 11.89786 12.31271 
1 1 1   12   13    2 o  100.147   7.1353   70.312   8.8665   62.910   15.724   73.762   10.736   96.077   12.077  104.217   7.6019 -8.140045 14.27064 
1 1 1   12   13    3 o  184.017   4.6166  229.171   11.480  221.588   15.558  238.235   17.009  180.693   6.3536  187.341   6.6996 -6.647430 9.233256 
1 1 1   12   13    4 o  356.335   5.3702  862.574   25.921  869.951   36.225  854.833   37.107  357.910   7.4687  354.759   7.7185 3.150940 10.74048 
1 1 1   12   13    5 o  193.214   4.6043  254.430   12.006  272.178   16.665  235.277   17.312  200.267   6.1406  186.161   6.8622 14.10661 9.208547 
1 1 1   12   13    6 o  166.191   4.5991  187.667   10.323  189.948   14.084  185.019   15.175  167.297   6.2124  165.086   6.7833 2.210510 9.198183 
1 1 1   12   13    7 f  168.713   4.6303  190.889   10.522  169.870   14.012  218.068   15.934  158.192   6.5364  179.234   6.5602 -21.04170 9.260675 
1 1 1   12   13    8 o  277.592   4.8704  523.479   18.306  531.118   25.482  515.333   26.314  279.699   6.7229  275.485   7.0488 4.214661 9.740805 
1 1 1   12   13    9 o  361.766   5.4117  889.448   26.516  920.264   37.435  858.418   37.565  368.076   7.5051  355.457   7.7985 12.61850 10.82332 
1 1 1   12   13   10 o  178.830   5.9978  213.008   12.874  208.136   14.968  226.865   25.241  175.108   6.3077  182.552   10.203 -7.443497 11.99556 
1 1 1   12   13   11 o  269.486   5.7898  485.326   17.313  479.331   19.461  508.081   37.914  265.796   5.4029  273.175   10.242 -7.378784 11.57952 
1 1 1   12   13   12 o  245.925   5.7695  414.026   15.696  416.222   17.700  405.943   33.959  247.686   5.2734  244.163   10.264 3.522888 11.53901 
1 1 1   12   13   13 o  288.632   5.9162  564.967   19.162  563.863   21.687  568.896   40.923  288.263   5.5517  289.002   10.449 -0.7391968 11.83243 
1 1 1   12   13   14 o  382.218   6.5897  989.719   28.613  986.076   32.531  1002.17   60.136  381.114   6.2989  383.322   11.577 -2.208679 13.17943 
1 1 1   12   13   15 o  188.331   5.8772  241.587   13.265  242.079   15.500  240.240   25.640  188.843   6.0570  187.818   10.074 1.024536 11.75447 
1 1 1   12   13   16 o  278.342   10.385  527.864   39.171   0.0000   0.0000  527.864   39.171  ?   ?   278.342   10.385      ?      ? 
1 1 1   12   13   17 o  132.221   6.1266  115.851   9.5260  112.871   10.946  125.150   19.338  128.933   6.2650  135.509   10.531 -6.576004 12.25326 
1 1 1   12   13   18 o  203.715   5.6306  283.733   12.606  284.866   14.178  279.455   27.547  204.898   5.1061  202.533   10.037 2.364899 11.26117 
1 1 1   12   13   19 o  306.080   5.9472  625.981   20.493  617.197   23.155  657.727   44.020  301.542   5.6666  310.619   10.458 -9.076843 11.89444 
1 1 1   12   13   20 o  294.809   5.9374  592.763   19.762  593.988   22.443  588.536   41.694  295.817   5.5986  293.801   10.472 2.016724 11.87484 
1 1 1   12   13   21 o  197.890   5.5770  263.752   12.234  261.885   13.764  270.775   26.698  196.444   5.1702  199.336   9.8834 -2.892303 11.15402 
1 1 1   12   13   22 o  272.416   5.8222  511.404   17.907  516.826   20.381  493.050   37.496  275.935   5.4505  268.898   10.290 7.037750 11.64450 
1 1 1   12   13   23 o  104.272   6.6309   75.882   7.3429   77.037   8.1908   71.154   16.572  106.522   5.6742  102.023   11.987 4.499153 13.26180 
1 1 1   12   13   24 o  162.560   5.6687  180.826   10.089  181.562   11.332  178.011   22.154  163.559   5.1128  161.561   10.119 1.998489 11.33741 
1 1 1   12   13   25 o   50.394   9.3336   13.853   5.3446   11.031   5.8985   26.794   12.632   39.555   10.732   61.233   15.274 -21.67849 18.66720 
1 1 1   12   13   26 o  210.056   5.1842  299.507   14.757  299.507   14.757   0.0000   0.0000  210.056   5.1842  ?   ?       ?      ? 
1 1 1   12   13   27 f  263.277   5.4557  470.622   19.465  470.622   19.465   0.0000   0.0000  263.277   5.4557  ?   ?       ?      ? 
1 1 1   12   13   28 o  226.390   5.2831  347.960   16.208  347.960   16.208   0.0000   0.0000  226.390   5.2831  ?   ?       ?      ? 
1 1 1   12   13   29 o  167.772   5.7274  195.434   10.619  198.314   12.002  185.046   22.791  170.913   5.1819  164.631   10.216 6.281372 11.45471 
1 1 1   12   13   30 o  129.259   5.9946  109.031   8.5486  105.760   9.5514  122.198   19.165  124.786   5.6483  133.733   10.575 -8.946938 11.98921 
1 1 1   12   13   31 o  132.208   6.1155  123.701   8.8439  127.129   9.9948  111.336   18.983  136.823   5.3905  127.594   10.979 9.229500 12.23092 
1 1 1   12   13   32 o   71.368   8.5766   36.620   6.4737   37.381   7.2845   33.764   14.119   74.121   7.2523   68.615   15.545 5.505760 17.15321 
1 1 1   12   13   33 o  175.790   5.8430  214.355   11.564  217.514   13.163  203.671   24.209  178.956   5.4279  172.623   10.349 6.332855 11.68595 
1 1 1   12   13   34 o  254.305   5.7826  432.893   16.683  426.616   18.909  454.947   35.442  250.598   5.5681  258.012   10.137 -7.413971 11.56517 
1 1 1   12   13   35 o  185.344   6.0669  237.638   14.078  243.445   17.048  225.187   24.963  189.189   6.6496  181.499   10.149 7.690750 12.13381 
1 1 1   12   13   36 o   93.458   7.6520   62.404   8.3286   65.196   9.7057   54.605   16.221   97.859   7.3189   89.058   13.440 8.801010 15.30397 
1 1 1   12   13   37 o  129.121   6.2707  111.165   9.9318  107.775   11.687  119.979   18.845  125.847   6.8527  132.396   10.504 -6.548889 12.54136 
1 1 1   12   13   38 o   92.384   7.2222   59.917   7.4120   61.110   8.4076   55.754   15.703   94.773   6.5464   89.995   12.876 4.777840 14.44445 
1 1 1   12   13   39 o  253.632   5.7895  441.407   16.772  443.674   19.158  433.968   34.703  255.497   5.5333  251.767   10.171 3.730560 11.57904 
1 1 1   12   13   40 o  146.405   5.9916  147.114   9.8488  147.736   11.169  144.940   20.883  147.417   5.5909  145.393   10.599 2.023834 11.98322 
1 1 1   12   13   41 o   89.566   8.5392   54.288   10.273   46.583   13.567   64.642   15.727   82.234   12.175   96.897   11.977 -14.66312 17.07846 
1 1 1   12   13   42 o  116.050   6.0490   89.608   9.0305   99.747   15.786   84.677   11.010  120.662   9.6543  111.438   7.2907 9.224495 12.09793 
1 1 1   12   13   43 o  159.978   4.7213  174.376   10.233  168.954   14.389  179.923   14.555  157.453   6.7435  162.503   6.6095 -5.049316 9.442514 
1 1 1   12   13   44 o  190.063   6.6582  246.253   17.149   0.0000   0.0000  246.253   17.149  ?   ?   190.063   6.6582      ?      ? 
1 1 1   12   13   45 o  144.461   5.8249  144.612   10.772  137.197   18.306  148.539   13.322  141.344   9.5573  147.578   6.6615 -6.234055 11.64980 
1 1 1   12   13   46 o  134.059   5.9151  126.403   10.160  112.377   16.905  134.334   12.711  127.813   9.7599  140.304   6.6857 -12.49031 11.83021 
1 1 1   12   13   47 o   56.267   7.6675   22.289   5.7216   25.312   8.1930   19.412   7.9938   60.600   9.9767   51.933   11.646 8.666557 15.33493 
1 1 1   12   13   48 o  107.394   5.2278   78.954   7.6077   79.975   10.749   77.929   10.769  108.098   7.3376  106.690   7.4485 1.407822 10.45566 
1 1 1   12   13   49 o   48.063   9.5215   16.972   6.4489   18.889   8.3001   14.052   10.244   51.048   12.170   45.079   14.647 5.969044 19.04309 
1 1 1   12   13   50 f  123.341   5.1013  103.715   8.4562   86.434   11.542  123.743   12.425  112.232   7.5887  134.450   6.8195 -22.21809 10.20268 
1 1 1   12   13   51 o  126.808   4.9448  110.356   8.4872  115.467   11.935  105.128   12.071  129.825   6.7842  123.791   7.1957 6.033699 9.889564 
1 1 1   12   13   52 o   77.646   6.0701   41.525   6.3697   37.452   8.7822   46.045   9.2525   73.602   8.8050   81.690   8.3580 -8.088341 12.14023 
1 1 1   12   13   53 o   56.637   7.6802   23.136   5.6789   22.049   7.9361   24.276   8.1299   55.205   10.995   58.069   10.727 -2.864212 15.36038 
1 1 1   12   13   54 o   32.659   8.3921   5.4855   5.1041   0.7940   7.1683   10.310   7.2695   26.934   11.392   38.384   12.326 -11.45018 16.78428 
1 1 1   12   13   55 f   79.913   6.1576   44.653   6.6112   38.339   9.3940   50.849   9.3059   74.128   9.3516   85.699   8.0131 -11.57130 12.31514 
1 1 1   12   13   56 o   75.934   8.8444   42.223   8.7878   38.007   12.929   45.843   11.981   71.391   13.864   80.477   10.986 -9.085732 17.68889 
1 1 1   12   13   57 o   73.856   7.4633   37.276   7.2262   33.652   8.9736   43.960   12.188   69.210   9.5679   78.501   11.457 -9.290565 14.92662 
1 1 1   12   13   58 o   94.081   5.6179   61.583   7.1513   60.832   9.8179   62.432   10.437   93.533   7.7459   94.629   8.1392 -1.096298 11.23589 
1 1 1   12   13   59 f   73.588   9.7582   39.126   9.3999   29.123   12.200   53.738   14.746   61.334   14.839   85.842   12.676 -24.50858 19.51636 
1 1 1   12   13   60 o   49.500   11.068   17.419   8.6476   9.6748   11.404   27.899   13.266   39.749   15.190   59.251   16.101 -19.50271 22.13591 
1 1 1   12   13   61 f  104.588   6.5460   77.369   8.9112   78.597   14.833   76.675   11.147  104.575   10.467  104.601   7.8638 -0.2571869E-01 13.09207 
1 1 1   12   13   62 o   80.888   7.3603   48.814   7.6572   40.495   12.235   54.169   9.8174   74.119   12.181   87.657   8.2647 -13.53741 14.72052 
1 1 1   12   13   63 o   48.978   8.3080   19.016   6.5927   2.4441   10.070   31.449   8.7218   31.768   13.474   66.188   9.7239 -34.42052 16.61600 
1 1 1   12   13   64 o   45.752   8.8785   16.836   6.4558   4.9619   10.074   25.111   8.4097   33.742   13.822   57.762   11.148 -24.01980 17.75702 
1 1 1   12   13   65 o   69.051   14.535   37.995   13.170   0.0000   0.0000   37.995   13.170  ?   ?    69.051   14.535      ?      ? 
1 1 1   12   13   66 o   70.339   9.4146   38.088   8.7706   32.957   11.973   44.029   12.883   64.273   14.132   76.406   12.443 -12.13309 18.82915 
1 1 1   12   13   67 o   40.436   10.502   11.881   7.4965   11.442   9.9305   12.463   11.430   39.585   14.357   41.287   15.331 -1.701668 21.00355 
1 1 1   12   13   68 o   46.748   10.546   16.102   7.9356   8.0694   10.400   27.298   12.278   36.349   14.333   57.147   15.473 -20.79895 21.09185 
1 1 1   12   13   69 o   55.928   9.6659   24.058   8.8578   4.9427   12.259   44.938   12.813   35.173   14.889   76.683   12.330 -41.50966 19.33174 
1 1 1   12   13   70 o   44.737   11.011   16.485   8.2957   19.174   11.235   13.262   12.301   47.738   15.323   41.735   15.818 6.002506 22.02253 
1 1 1   12   14    0 o  137.465   4.9153  130.122   9.0277  148.565   12.439  109.597   13.122  147.933   6.2051  126.997   7.6249 20.93594 9.830672 
1 1 1   12   14    1 o  215.919   4.6812  316.140   13.668  310.113   18.654  323.128   20.084  213.712   6.4411  218.125   6.7946 -4.412628 9.362347 
1 1 1   12   14    2 o  336.569   5.2767  770.034   24.055  782.538   33.665  756.990   34.383  339.379   7.3200  333.758   7.6021 5.621460 10.55344 
1 1 1   12   14    3 o  265.231   4.8837  477.728   17.532  475.997   24.184  479.645   25.452  264.740   6.7411  265.722   7.0683 -0.9816589 9.767419 
1 1 1   12   14    4 o  272.705   5.7572  497.461   20.569  536.945   34.292  475.275   25.706  280.916   9.0082  264.495   7.1718 16.42084 11.51448 
1 1 1   12   14    5 o  103.257   5.9743   71.737   8.3142   82.077   12.503   63.539   11.132  109.858   8.3983   96.655   8.4993 13.20375 11.94862 
1 1 1   12   14    6 o  266.621   5.7666  479.972   20.210  497.149   33.120  469.780   25.511  270.287   9.0422  262.954   7.1592 7.332916 11.53327 
1 1 1   12   14    7 o  360.268   7.8538  882.355   38.343   0.0000   0.0000  882.355   38.343  ?   ?   360.268   7.8538      ?      ? 
1 1 1   12   14    8 o  285.247   7.2696  552.901   28.101   0.0000   0.0000  552.901   28.101  ?   ?   285.247   7.2696      ?      ? 
1 1 1   12   14    9 f  163.368   6.2470  184.815   12.983  172.078   22.239  191.400   15.991  158.893   10.328  167.842   7.0307 -8.948685 12.49400 
1 1 1   12   14   10 o  379.899   8.1533  985.676   41.954  1006.19   58.838  964.457   59.837  383.977   11.308  375.822   11.749 8.154755 16.30659 
1 1 1   12   14   11 o  378.502   8.1429  978.533   41.742  994.018   58.327  962.277   59.762  381.631   11.278  375.373   11.748 6.258057 16.28575 
1 1 1   12   14   12 o  263.840   5.8772  466.649   17.211  461.603   19.355  485.709   37.617  260.783   5.4769  266.898   10.401 -6.115692 11.75448 
1 1 1   12   14   13 o  212.936   5.8343  314.113   13.527  318.093   15.199  298.953   29.665  216.499   5.1807  209.373   10.455 7.125900 11.66854 
1 1 1   12   14   14 o  104.249   7.0861   79.648   7.4255   82.726   8.2140   65.884   17.370  110.395   5.4906   98.103   13.065 12.29196 14.17225 
1 1 1   12   14   15 o  219.847   5.7364  329.999   13.867  330.850   15.593  326.781   30.320  220.788   5.2116  218.906   10.221 1.882477 11.47286 
1 1 1   12   14   16 o  142.110   6.1372  143.607   9.1541  147.442   10.207  127.844   20.693  147.393   5.1103  136.826   11.160 10.56746 12.27439 
1 1 1   12   14   17 o  163.520   5.7375  179.424   10.099  177.823   11.243  186.113   22.980  161.864   5.1257  165.176   10.267 -3.311386 11.47499 
1 1 1   12   14   18 o  186.492   5.6890  233.514   11.521  231.437   12.863  241.940   25.905  184.656   5.1405  188.328   10.151 -3.671600 11.37809 
1 1 1   12   14   19 o  201.875   5.1595  276.625   14.115  276.625   14.115   0.0000   0.0000  201.875   5.1595  ?   ?       ?      ? 
1 1 1   12   14   20 o  246.649   5.3201  413.004   17.782  413.004   17.782   0.0000   0.0000  246.649   5.3201  ?   ?       ?      ? 
1 1 1   12   14   21 o  209.742   5.1922  298.638   14.758  298.638   14.758   0.0000   0.0000  209.742   5.1922  ?   ?       ?      ? 
1 1 1   12   14   22 o  201.369   5.7221  272.389   12.603  269.894   14.105  282.267   28.064  199.387   5.2201  203.351   10.184 -3.963684 11.44415 
1 1 1   12   14   23 o  178.628   5.7452  213.733   11.161  211.402   12.461  223.184   25.090  176.460   5.2112  180.797   10.241 -4.336899 11.49040 
1 1 1   12   14   24 o  165.470   5.7177  178.316   10.323  173.055   11.489  200.340   23.508  159.645   5.3108  171.295   10.127 -11.64923 11.43541 
1 1 1   12   14   25 o  181.160   5.9284  232.005   11.731  238.256   13.248  209.301   25.247  187.324   5.2188  174.996   10.646 12.32764 11.85672 
1 1 1   12   14   26 o  159.626   5.9745  174.716   10.486  175.513   11.799  171.721   22.876  160.760   5.4160  158.492   10.651 2.267639 11.94891 
1 1 1   12   14   27 o  120.099   6.8582   99.466   10.046  100.802   11.903   96.157   18.729  121.717   7.2163  118.482   11.665 3.235359 13.71634 
1 1 1   12   14   28 o  212.250   6.0021  321.385   14.301  333.797   16.368  281.340   29.399  221.684   5.4484  202.816   10.696 18.86821 12.00414 
1 1 1   12   14   29 o  398.809   7.1821  1072.22   35.730  1049.74   42.652  1125.10   65.422  392.545   8.0181  405.074   11.918 -12.52844 14.36428 
1 1 1   12   14   30 f  169.264   6.2585  200.513   12.932  207.703   15.427  183.513   23.720  174.763   6.5140  163.765   10.688 10.99774 12.51696 
1 1 1   12   14   31 f  284.456   6.3163  553.777   22.391  556.343   26.874  547.952   40.489  285.935   6.9357  282.977   10.558 2.958130 12.63266 
1 1 1   12   14   32 o  294.423   6.4286  598.573   23.684  609.960   28.627  573.874   42.163  299.353   7.0568  289.494   10.748 9.858490 12.85718 
1 1 1   12   14   33 o  272.635   6.3078  513.903   21.522  524.828   26.033  490.312   38.255  277.680   6.9183  267.591   10.550 10.08963 12.61568 
1 1 1   12   14   34 o  115.230   6.4640   86.295   8.4573   82.858   9.5364   98.955   18.303  110.362   6.3765  120.099   11.246 -9.736908 12.92802 
1 1 1   12   14   35 o  263.074   5.9432  477.592   17.841  482.199   20.395  462.577   36.818  266.330   5.6510  259.819   10.457 6.511169 11.88637 
1 1 1   12   14   36 o  224.632   6.1049  338.389   17.050  329.246   20.273  360.483   31.515  219.885   6.8037  229.380   10.139 -9.494980 12.20986 
1 1 1   12   14   37 o  126.305   6.9395  112.970   10.828  118.986   13.092   99.947   19.262  132.113   7.3128  120.497   11.796 11.61620 13.87896 
1 1 1   12   14   38 o  187.942   5.9410  243.560   12.644  245.400   14.402  237.368   26.412  189.950   5.5950  185.935   10.482 4.014877 11.88194 
1 1 1   12   14   39 o  228.024   5.8890  358.154   15.174  360.407   17.263  350.498   31.823  230.178   5.5343  225.870   10.397 4.308304 11.77791 
1 1 1   12   14   40 o   91.001   8.2638   64.215   7.7595   69.285   8.8542   47.429   16.110  100.830   6.4800   81.173   15.204 19.65650 16.52769 
1 1 1   12   14   41 f  130.571   6.6796  129.321   9.5205  140.008   10.940   95.957   19.329  143.411   5.6290  117.731   12.115 25.67976 13.35914 
1 1 1   12   14   42 o  119.803   7.0980  103.838   10.487  112.695   12.798   85.736   18.296  128.415   7.3545  111.192   12.142 17.22334 14.19602 
1 1 1   12   14   43 o   54.699   10.449   22.731   7.7769   25.620   9.3540   16.262   13.995   59.763   11.967   49.636   17.132 10.12681 20.89795 
1 1 1   12   14   44 o   95.579   8.5011   62.723   11.011   62.723   11.011   0.0000   0.0000   95.579   8.5011  ?   ?       ?      ? 
1 1 1   12   14   45 f  125.498   6.0541  107.493   10.296  107.493   10.296   0.0000   0.0000  125.498   6.0541  ?   ?       ?      ? 
1 1 1   12   14   46 o   74.623   8.9609   38.756   7.9331   37.611   9.3203   41.765   15.114   73.820   9.3170   75.426   15.310 -1.606506 17.92171 
1 1 1   12   14   47 o  214.893   4.7161  315.902   13.728  303.402   19.151  329.112   19.688  210.510   6.7132  219.277   6.6255 -8.767044 9.432108 
1 1 1   12   14   48 o   58.779   7.6868   24.744   5.9449   21.509   8.6168   27.682   8.2124   54.368   12.015   63.191   9.5903 -8.822754 15.37353 
1 1 1   12   14   49 o  169.571   4.7004  197.071   10.779  214.642   15.458  180.442   15.038  176.984   6.4452  162.157   6.8435 14.82695 9.400748 
1 1 1   12   14   50 o   44.376   7.6107   13.522   5.4645   1.4335   7.8022   25.160   7.6558   28.596   11.979   60.157   9.3912 -31.56073 15.22143 
1 1 1   12   14   51 o  109.255   5.1147   82.204   7.5141   69.270   10.407   96.288   10.860  100.169   7.6669  118.341   6.7721 -18.17202 10.22950 
1 1 1   12   14   52 o   54.252   7.7824   21.508   5.5248   18.923   7.8147   24.092   7.8117   50.728   11.618   57.775   10.358 -7.047169 15.56479 
1 1 1   12   14   53 o   41.810   8.6238   12.648   5.2834   9.4199   7.3629   16.073   7.5856   37.024   12.433   46.596   11.954 -9.572449 17.24757 
1 1 1   12   14   54 o   70.520   6.5058   34.817   6.1981   31.258   8.6070   38.651   8.9329   66.697   9.5227   74.343   8.8669 -7.645523 13.01165 
1 1 1   12   14   55 o   49.057   9.5976   19.066   6.5572   13.356   11.706   21.677   7.9156   43.896   15.628   54.219   11.146 -10.32281 19.19528 
1 1 1   12   14   56 o   39.798   8.6795   10.909   6.3873  -4.4538   10.548   19.804   8.0261   28.131   12.764   51.465   11.765 -23.33401 17.35895 
1 1 1   12   14   57 o   85.810   8.9824   52.822   9.9935   40.540   13.011   70.492   15.606   73.032   13.649   98.588   11.681 -25.55678 17.96484 
1 1 1   12   14   58 o   29.929   9.3115  -0.9875   7.2434  -2.3002   9.5708   0.7724   11.082   27.854   12.437   32.003   13.861 -4.149397 18.62305 
1 1 1   12   14   59 o   45.103   10.330   13.501   7.6820   5.3601   10.052   24.931   11.911   34.306   13.899   55.901   15.285 -21.59465 20.65941 
1 1 1   12   14   60 o   71.261   9.2995   38.478   8.6416   26.265   11.735   52.948   12.773   57.323   14.951   85.198   11.064 -27.87469 18.59908 
1 1 1   12   14   61 o   76.230   9.0883   44.007   9.0387   34.672   12.413   54.542   13.187   66.289   14.243   86.172   11.293 -19.88313 18.17669 
1 1 1   12   14   62 o   35.310   9.2935   5.1754   7.0309   15.612   9.5655  -7.0893   10.370   44.663   14.118   25.956   12.090 18.70620 18.58693 
1 1 1   12   14   63 o   84.879   8.1872   53.048   9.2741   41.892   12.558   66.431   13.754   74.577   12.426   95.181   10.664 -20.60456 16.37449 
1 1 1   12   14   64 o   38.510   14.529   10.176   10.348   0.0000   0.0000   10.176   10.348  ?   ?    38.510   14.529      ?      ? 
1 1 1   12   14   65 o   37.012   14.516   8.5795   10.613   0.0000   0.0000   8.5795   10.613  ?   ?    37.012   14.516      ?      ? 
1 1 1   12   14   66 o   28.374   8.9087  -0.9845   6.7868  -2.4537   9.0102   0.9421   10.318   26.357   11.893   30.392   13.267 -4.034271 17.81738 
1 1 1   12   15    0 o  195.704   4.8521  261.290   12.807  273.503   17.543  247.357   18.738  200.652   6.4518  190.755   7.2489 9.896332 9.704199 
1 1 1   12   15    1 o  140.137   5.0018  131.872   9.4170  121.955   12.373  145.527   14.518  133.966   6.8156  146.308   7.3225 -12.34230 10.00352 
1 1 1   12   15    2 o  214.962   6.2216  314.463   16.183  314.269   19.008  314.975   30.854  215.077   6.5215  214.848   10.597 0.2287445 12.44326 
1 1 1   12   15    3 o  279.899   6.3954  527.778   21.941  520.131   25.896  547.236   41.308  276.645   6.9075  283.152   10.765 -6.506836 12.79088 
1 1 1   12   15    4 o  254.232   6.3697  442.361   19.761  445.207   23.375  435.234   36.993  255.961   6.7391  252.503   10.811 3.458252 12.73945 
1 1 1   12   15    5 o  186.772   7.3222  238.089   18.459  239.031   25.048  236.968   27.310  187.235   9.8718  186.309   10.817 0.9266205 14.64435 
1 1 1   12   15    6 o   93.705   5.9457   60.462   7.4480   65.300   10.016   54.478   11.140   97.988   7.5425   89.421   9.1933 8.567879 11.89142 
1 1 1   12   15    7 o   67.605   7.3901   32.018   6.4591   33.728   8.4570   29.625   10.007   70.371   8.8682   64.839   11.824 5.532501 14.78025 
1 1 1   12   15    8 o   74.269   6.6484   37.214   6.6243   35.082   8.6754   40.197   10.259   71.765   8.9207   76.774   9.8604 -5.008995 13.29687 
1 1 1   12   15    9 o  165.209   4.8414  187.113   10.743  203.186   14.693  168.652   15.747  172.939   6.2697  157.479   7.3789 15.46063 9.682813 
1 1 1   12   15   10 o  176.684   5.9082  222.874   13.049  243.390   16.108  183.701   22.258  189.273   6.2802  164.094   10.009 25.17880 11.81646 
1 1 1   12   15   11 o  116.963   5.4951   92.888   8.7098   92.888   8.7098   0.0000   0.0000  116.963   5.4951  ?   ?       ?      ? 
1 1 1   12   15   12 o   81.053   6.4024   44.642   7.0323   44.642   7.0323   0.0000   0.0000   81.053   6.4024  ?   ?       ?      ? 
1 1 1   12   15   13 o  248.678   5.3909  419.885   18.167  419.885   18.167   0.0000   0.0000  248.678   5.3909  ?   ?       ?      ? 
1 1 1   12   15   14 o   61.979   9.7398   34.042   6.2831   37.667   6.8182   13.625   16.180   74.437   6.7593   49.522   18.269 24.91423 19.47961 
1 1 1   12   15   15 o  192.323   5.8125  243.270   12.015  237.978   13.329  266.197   27.744  187.219   5.2538  197.427   10.370 -10.20804 11.62494 
1 1 1   12   15   16 f  135.576   6.3260  124.668   9.0138  124.305   9.9768  126.282   21.028  135.296   5.4416  135.855   11.422 -0.5591736 12.65193 
1 1 1   12   15   17 o  229.911   5.8307  356.083   14.711  353.342   16.491  366.768   32.560  228.113   5.3347  231.709   10.370 -3.595978 11.66131 
1 1 1   12   15   18 o  192.406   5.9364  258.581   12.423  263.107   13.973  241.505   27.140  196.846   5.2381  187.965   10.655 8.881104 11.87285 
1 1 1   12   15   19 o  174.158   6.0948  215.869   11.415  222.252   12.834  191.699   24.972  180.915   5.2347  167.402   11.008 13.51390 12.18951 
1 1 1   12   15   20 o  109.618   7.4150   88.904   8.3423   93.049   9.3010   71.847   18.867  117.025   5.8650  102.212   13.621 14.81255 14.83006 
1 1 1   12   15   21 o  224.120   5.9895  354.429   14.867  363.967   16.872  321.313   31.439  231.494   5.3783  216.747   10.704 14.74658 11.97898 
1 1 1   12   15   22 o  151.158   6.3355  161.320   10.235  164.975   11.463  146.956   22.726  155.847   5.4278  146.469   11.449 9.377487 12.67091 
1 1 1   12   15   23 o  145.734   6.6421  148.262   11.601  152.255   13.650  137.874   22.014  149.614   6.7323  141.855   11.452 7.758316 13.28411 
1 1 1   12   15   24 o  245.870   5.9654  418.815   16.353  424.065   18.533  400.355   34.750  249.846   5.4739  241.894   10.601 7.951782 11.93089 
1 1 1   12   15   25 o  269.341   6.0848  504.786   18.348  512.887   20.848  476.949   38.647  274.743   5.5994  263.939   10.805 10.80362 12.16968 
1 1 1   12   15   26 o  170.135   6.0400  199.835   11.256  201.556   12.661  193.350   24.577  172.241   5.4245  168.029   10.793 4.211929 12.07992 
1 1 1   12   15   27 o  115.789   6.7339   92.539   8.3912   93.148   9.3798   90.098   18.779  117.056   5.9131  114.522   12.100 2.533394 13.46771 
1 1 1   12   15   28 o   57.760   9.8825   18.662   6.4881   14.680   7.2164   35.455   14.820   45.393   11.668   70.128   15.954 -24.73570 19.76497 
1 1 1   12   15   29 o  232.929   5.8549  370.183   15.267  370.187   17.274  370.166   32.631  233.387   5.4619  232.471   10.358 0.9164886 11.70979 
1 1 1   12   15   30 o  132.154   6.4800  121.538   9.3603  123.092   10.535  115.711   20.399  134.547   5.7779  129.761   11.601 4.785721 12.95994 
1 1 1   12   15   31 f  162.755   6.2326  177.809   12.392  173.732   14.568  188.483   23.571  159.728   6.7302  165.782   10.492 -6.054184 12.46514 
1 1 1   12   15   32 o  134.299   6.6415  127.235   10.883  132.689   13.008  114.509   19.871  139.558   6.8782  129.040   11.363 10.51793 13.28294 
1 1 1   12   15   33 o   44.692   10.089   13.593   6.2178   14.272   7.0310   11.159   13.319   44.700   11.531   44.683   16.557 0.1661682E-01 20.17703 
1 1 1   12   15   34 o  137.714   6.5023  139.146   9.7860  146.566   11.143  114.129   20.460  146.779   5.6023  128.650   11.736 18.12990 13.00450 
1 1 1   12   15   35 o  140.436   6.3425  141.232   9.8579  146.196   11.215  124.366   20.673  146.571   5.6464  134.302   11.359 12.26884 12.68496 
1 1 1   12   15   36 f  151.683   6.0721  160.599   10.338  163.104   11.761  152.081   21.688  154.798   5.6064  148.568   10.773 6.229660 12.14411 
1 1 1   12   15   37 o  162.895   5.8761  177.405   10.804  174.018   12.211  189.618   23.187  159.865   5.6364  165.926   10.312 -6.060532 11.75212 
1 1 1   12   15   38 o  128.459   6.6688  108.407   10.716  101.014   12.700  126.683   19.967  121.503   7.7132  135.415   10.881 -13.91273 13.33762 
1 1 1   12   15   39 o  114.325   7.7849   89.509   12.061   89.509   12.061   0.0000   0.0000  114.325   7.7849  ?   ?       ?      ? 
1 1 1   12   15   40 o  244.171   6.9935  407.702   23.140  407.702   23.140   0.0000   0.0000  244.171   6.9935  ?   ?       ?      ? 
1 1 1   12   15   41 o  101.252   9.1041   81.331   10.530   98.475   13.124   50.352   17.642  119.762   8.0865   82.741   16.314 37.02089 18.20819 
1 1 1   12   15   42 o  189.439   5.9973  249.598   12.946  251.924   14.798  242.008   26.729  192.147   5.6830  186.731   10.563 5.416153 11.99458 
1 1 1   12   15   43 o  125.616   6.2907   99.517   9.1452   91.771   10.328  127.641   19.680  115.793   6.5820  135.439   10.722 -19.64608 12.58138 
1 1 1   12   15   44 o  171.093   5.7957  193.828   11.363  187.262   12.885  216.797   24.100  165.557   5.7432  176.630   10.069 -11.07222 11.59148 
1 1 1   12   15   45 o   77.035   8.4675   41.324   7.2729   40.399   8.2970   44.393   15.112   76.553   7.9978   77.516   14.927 -0.9629517 16.93498 
1 1 1   12   15   46 f  266.609   6.5563  511.450   22.154  551.772   27.600  438.408   37.147  283.225   7.1910  249.993   10.965 33.23129 13.11267 
1 1 1   12   15   47 o  140.293   6.0420  133.645   9.7952  131.121   11.191  141.910   20.254  138.332   5.9698  142.254   10.506 -3.922745 12.08408 
1 1 1   12   15   48 o   57.406   9.4229   24.736   6.5286   25.563   7.5170   22.195   13.171   60.561   9.1594   54.251   16.470 6.309605 18.84584 
1 1 1   12   15   49 o  144.957   5.9197  142.191   9.9362  138.700   11.349  153.649   20.561  142.169   5.8909  147.745   10.270 -5.575836 11.83935 
1 1 1   12   15   50 o  155.899   6.2733  166.070   12.458  159.113   15.088  180.970   22.082  151.628   7.3430  160.171   10.173 -8.543488 12.54663 
1 1 1   12   15   51 o  124.332   7.5747  109.323   12.728  102.103   17.250  117.950   18.857  119.901   10.617  128.763   10.807 -8.862366 15.14946 
1 1 1   12   15   52 o   59.446   9.1937   24.165   6.8239   35.110   12.366   19.373   8.1824   68.033   13.884   50.859   12.056 17.17421 18.38749 
1 1 1   12   15   53 o   46.929   9.5959   16.645   6.2292   16.404   10.838   16.764   7.6123   46.627   15.058   47.230   11.899 -0.6032295 19.19188 
1 1 1   12   15   54 o   65.427   8.7717   37.675   7.1655   15.450   11.750   50.832   9.0411   45.615   15.701   85.238   7.8272 -39.62374 17.54345 
1 1 1   12   15   55 o   26.726   8.3018  -0.8796   5.5767   0.4611   9.2723  -1.6395   6.9804   29.363   12.698   24.089   10.697 5.273451 16.60358 
1 1 1   12   15   56 o   52.523   10.742   21.098   8.0317   16.677   10.379   27.696   12.681   46.380   14.710   58.666   15.659 -12.28557 21.48456 
1 1 1   12   15   57 o   38.321   14.238   9.8254   9.8610   9.8254   9.8610   0.0000   0.0000   38.321   14.238  ?   ?       ?      ? 
1 1 1   12   15   58 o   30.124   9.1468   1.2985   6.7337   2.7624   9.4595  -0.2053   9.5875   31.184   13.133   29.063   12.735 2.121807 18.29362 
1 1 1   12   15   59 f   47.676   10.583   18.159   7.6412   19.848   10.782   16.454   10.831   49.663   14.863   45.689   15.071 3.973656 21.16686 
1 1 1   12   15   60 o   21.934   7.4222 -10.5708   6.2815  -8.5062   8.8251 -12.6909   8.9429   22.776   10.778   21.092   10.207 1.684067 14.84447 
1 1 1   12   15   61 o   39.440   10.272   11.111   7.2466   9.8100   10.205   12.435   10.293   38.050   14.411   40.830   14.641 -2.779835 20.54351 
1 1 1   12   15   62 f   31.191   9.3186   2.3112   6.8761  -1.3876   9.4512   6.4706   10.022   27.767   12.382   34.614   13.930 -6.846821 18.63713 
1 1 1   12   16    0 o  151.264   7.2283  156.452   14.786  152.643   21.452  159.900   20.409  149.464   10.591  153.064   9.8394 -3.599503 14.45657 
1 1 1   12   16    1 o  116.396   6.6755   95.868   9.5905  101.502   11.604   83.728   17.034  122.168   7.0095  110.624   11.363 11.54314 13.35095 
1 1 1   12   16    2 o  186.486   4.9451  235.731   12.403  230.386   16.475  242.722   18.844  184.091   6.6042  188.880   7.3622 -4.788605 9.890256 
1 1 1   12   16    3 o  126.846   5.5012  113.238   9.1190  139.812   12.489   82.894   13.346  143.420   6.4260  110.271   8.9309 33.14880 11.00246 
1 1 1   12   16    4 o   92.237   6.0436   57.638   7.4846   55.653   9.8620   60.334   11.494   90.404   8.0500   94.069   9.0166 -3.665550 12.08728 
1 1 1   12   16    5 o  137.313   5.1276  127.783   9.4803  124.143   12.632  132.478   14.345  135.109   6.8994  139.517   7.5874 -4.408051 10.25525 
1 1 1   12   16    6 o  126.676   5.4824  112.375   9.1301  136.134   12.507   85.270   13.359  141.509   6.5221  111.842   8.8140 29.66692 10.96474 
1 1 1   12   16    7 o  264.778   5.0367  476.841   18.053  475.036   24.933  478.830   26.172  264.275   6.9621  265.281   7.2803 -1.006042 10.07338 
1 1 1   12   16    8 o   98.435   9.2289   66.099   12.311   0.0000   0.0000   66.099   12.311  ?   ?    98.435   9.2289      ?      ? 
1 1 1   12   16    9 o   97.529   9.4657   64.915   12.510   0.0000   0.0000   64.915   12.510  ?   ?    97.529   9.4657      ?      ? 
1 1 1   12   16   10 o  222.078   6.3936  339.045   17.330  342.599   20.525  330.223   32.339  224.446   6.7483  219.710   10.862 4.735977 12.78720 
1 1 1   12   16   11 o  420.569   7.6061  1235.15   40.388  1283.85   49.476  1137.86   69.925  434.028   8.4118  407.109   12.675 26.91919 15.21213 
1 1 1   12   16   12 o  193.518   6.5163  255.831   15.254  256.189   17.924  254.890   29.048  194.072   6.8152  192.963   11.108 1.108963 13.03252 
1 1 1   12   16   13 o  119.796   7.3744   91.934   10.467   85.972   11.981  111.148   21.509  112.349   7.8696  127.244   12.474 -14.89576 14.74876 
1 1 1   12   16   14 o  201.673   6.4516  282.346   15.708  288.431   18.534  266.830   29.595  205.933   6.6413  197.413   11.063 8.519836 12.90321 
1 1 1   12   16   15 o  233.053   6.4835  382.658   18.364  399.359   21.894  343.018   33.729  242.308   6.6676  223.799   11.122 18.50900 12.96708 
1 1 1   12   16   16 o  193.031   6.4320  257.380   14.854  260.974   17.398  247.716   28.527  195.884   6.5543  190.178   11.069 5.706390 12.86402 
1 1 1   12   16   17 o  234.888   6.3220  378.175   18.164  380.410   21.520  372.639   33.872  236.466   6.7156  233.310   10.713 3.155930 12.64402 
1 1 1   12   16   18 o  232.392   6.3274  371.761   17.997  376.074   21.362  361.216   33.404  235.106   6.7051  229.678   10.733 5.428726 12.65485 
1 1 1   12   16   19 o  221.362   6.0162  337.447   14.658  339.770   16.510  328.798   31.854  223.620   5.4483  219.104   10.728 4.516098 12.03241 
1 1 1   12   16   20 o  141.406   6.3155  133.355   9.5845  131.380   10.647  141.792   22.010  139.034   5.6510  143.779   11.296 -4.744568 12.63102 
1 1 1   12   16   21 o  178.151   6.0452  216.333   11.662  216.156   13.036  217.042   26.093  178.354   5.3938  177.947   10.821 0.4064178 12.09038 
1 1 1   12   16   22 f   73.903   9.0479   36.297   6.8375   35.164   7.5276   41.642   16.347   71.821   7.7344   75.984   16.360 -4.163063 18.09579 
1 1 1   12   16   23 o   67.213   9.3446   30.362   6.6552   29.494   7.3735   34.180   15.458   65.739   8.2768   68.687   16.757 -2.947243 18.68926 
1 1 1   12   16   24 o   85.888   8.0706   48.454   8.3412   46.004   9.6595   55.637   16.540   82.062   8.6862   89.715   13.605 -7.653175 16.14125 
1 1 1   12   16   25 o  213.839   6.0970  306.906   16.020  299.565   18.901  325.630   30.186  209.741   6.6500  217.938   10.221 -8.196274 12.19400 
1 1 1   12   16   26 f  116.067   7.3399   96.547   10.042  101.347   11.792   83.878   19.157  121.935   7.1364  110.198   12.828 11.73668 14.67972 
1 1 1   12   16   27 o   48.069   10.276   17.363   7.5290   21.959   8.8008   4.8189   14.540   55.396   12.065   40.742   16.638 14.65437 20.55194 
1 1 1   12   16   28 o   87.911   8.6686   56.493   8.7938   59.566   10.412   48.846   16.425   93.354   8.2302   82.468   15.259 10.88603 17.33719 
1 1 1   12   16   29 o  173.498   6.2681  206.262   13.375  206.443   15.887  205.822   24.782  174.016   6.7371  172.980   10.572 1.035690 12.53620 
1 1 1   12   16   30 o   70.092   9.6134   34.596   8.1044   34.317   9.5731   35.302   15.227   70.663   9.9972   69.522   16.423 1.140549 19.22685 
1 1 1   12   16   31 o  106.870   7.3913   80.246   9.5524   82.320   11.303   75.064   17.869  109.745   7.6003  103.996   12.679 5.749130 14.78262 
1 1 1   12   16   32 o   71.350   9.8153   42.665   8.2534   51.297   9.8537   22.373   15.108   86.522   8.4041   56.179   17.741 30.34310 19.63058 
1 1 1   12   16   33 o   78.902   9.4125   44.853   8.5865   45.653   10.046   42.684   16.543   81.513   9.0944   76.291   16.483 5.222679 18.82500 
1 1 1   12   16   34 o  205.964   6.8053  289.832   18.994  289.832   18.994   0.0000   0.0000  205.964   6.8053  ?   ?       ?      ? 
1 1 1   12   16   35 o   41.510   12.365   12.195   7.4761   12.195   7.4761   0.0000   0.0000   41.510   12.365  ?   ?       ?      ? 
1 1 1   12   16   36 o  110.548   7.0511   87.853   8.6961   90.709   9.9218   78.392   18.061  115.230   6.3539  105.865   12.590 9.365265 14.10226 
1 1 1   12   16   37 o   63.446   9.4267   27.878   6.9426   26.970   7.9412   30.824   14.301   62.496   9.3768   64.396   16.356 -1.899662 18.85342 
1 1 1   12   16   38 o   66.524   9.0320   31.283   6.8628   30.909   7.8728   32.467   14.006   66.959   8.6763   66.088   15.844 0.8706970 18.06410 
1 1 1   12   16   39 o   53.132   9.9557   19.042   6.3344   17.687   7.1575   23.937   13.605   49.441   10.970   56.822   16.617 -7.381844 19.91136 
1 1 1   12   16   40 o   48.440   10.054   16.202   6.3146   15.463   7.2445   18.538   12.883   46.080   11.607   50.801   16.419 -4.720879 20.10736 
1 1 1   12   16   41 f  113.611   6.7418   92.663   8.5693   95.187   9.7769   84.298   17.800  117.900   6.1193  109.322   12.015 8.578049 13.48358 
1 1 1   12   16   42 o   62.259   9.4878   30.193   6.7262   31.989   7.6418   24.015   14.171   68.003   8.2925   56.516   17.068 11.48689 18.97554 
1 1 1   12   16   43 o   87.614   7.1710   47.458   7.3266   42.151   8.2646   66.939   15.834   78.099   7.8089   97.129   12.030 -19.02922 14.34194 
1 1 1   12   16   44 o   67.874   9.3063   39.523   6.9612   44.807   8.0010   23.065   14.121   80.567   7.3283   55.180   17.109 25.38663 18.61260 
1 1 1   12   16   45 o   58.979   9.7146   25.335   6.7249   25.152   7.6298   25.973   14.237   59.944   9.3925   58.013   17.008 1.930878 19.42913 
1 1 1   12   16   46 o  118.531   6.8999   98.326   10.371   97.388   12.608  100.288   18.239  118.429   7.8562  118.632   11.345 -0.2032242 13.79990 
1 1 1   12   16   47 o  125.594   7.1719  117.299   11.105  127.989   13.609   95.993   19.212  135.851   7.3923  115.336   12.292 20.51523 14.34373 
1 1 1   12   16   48 o  133.962   6.4745  118.268   10.980  105.266   13.071  149.450   20.241  122.911   7.8473  145.013   10.300 -22.10207 12.94900 
1 1 1   12   16   49 o   67.739   9.6692   38.316   8.0397   44.853   9.7736   24.635   14.139   79.770   9.0414   55.709   17.095 24.06079 19.33831 
1 1 1   12   16   50 o   52.934   10.377   18.955   7.4345   13.037   8.9382   32.239   13.392   41.996   13.683   63.872   15.605 -21.87639 20.75495 
1 1 1   12   16   51 o   39.914   9.3548   11.411   6.8735   18.277   8.3670  -2.8424   12.055   48.916   12.558   30.911   13.869 18.00456 18.70958 
1 1 1   12   16   52 o   41.603   10.297   12.095   6.7693   11.209   8.1416   14.080   12.184   39.161   13.074   44.044   15.913 -4.883442 20.59500 
1 1 1   12   16   53 o  115.096   7.6449   93.032   11.924   93.032   11.924   0.0000   0.0000  115.096   7.6449  ?   ?       ?      ? 
1 1 1   12   16   54 o   28.317   12.475  -0.7440   9.3108  -0.7440   9.3108   0.0000   0.0000   28.317   12.475  ?   ?       ?      ? 
1 1 1   12   16   55 o   61.919   14.431   30.591   11.885   30.591   11.885   0.0000   0.0000   61.919   14.431  ?   ?       ?      ? 
1 1 1   12   16   56 o   63.755   10.445   29.681   9.0242   29.681   9.0242   0.0000   0.0000   63.755   10.445  ?   ?       ?      ? 
1 1 1   12   16   57 o   38.318   14.692   9.7088   10.690   9.7088   10.690   0.0000   0.0000   38.318   14.692  ?   ?       ?      ? 
1 1 1   12   16   58 o   47.470   15.280   18.356   11.167   18.356   11.167   0.0000   0.0000   47.470   15.280  ?   ?       ?      ? 
1 1 1   12   17    0 o  143.448   5.3551  140.614   10.312  143.848   13.767  136.479   15.565  145.388   6.9875  141.508   8.1169 3.880264 10.71025 
1 1 1   12   17    1 o   81.268   6.8643   44.108   7.4590   39.093   9.6367   51.603   11.781   75.657   9.3993   86.878   10.006 -11.22084 13.72851 
1 1 1   12   17    2 o  246.624   5.0562  415.607   16.812  461.598   23.700  369.026   23.852  260.477   6.7143  232.771   7.5616 27.70587 10.11234 
1 1 1   12   17    3 f  211.969   4.9818  306.675   14.257  318.009   19.570  293.856   20.812  216.203   6.6796  207.735   7.3929 8.467316 9.963543 
1 1 1   12   17    4 o  186.404   5.0143  236.249   12.605  233.818   16.971  239.241   18.825  185.375   6.7558  187.433   7.4117 -2.057632 10.02867 
1 1 1   12   17    5 o   52.402   9.4500   18.646   6.7025   14.058   8.6015   25.738   10.694   44.830   13.242   59.975   13.486 -15.14546 18.90009 
1 1 1   12   17    6 o  101.440   5.9940   71.497   8.0632   78.563   10.718   62.282   12.239  107.407   7.3637   95.475   9.4598 11.93191 11.98796 
1 1 1   12   17    7 o   93.072   6.4898   61.638   7.8445   73.885   10.481   46.042   11.828  104.151   7.4262   81.992   10.645 22.15882 12.97957 
1 1 1   12   17    8 o  198.486   4.9473  266.871   13.248  255.054   17.764  281.676   19.884  193.590   6.7715  203.382   7.2146 -9.791962 9.894579 
1 1 1   12   17    9 o  155.701   5.1226  164.264   10.750  157.524   14.357  172.865   16.218  152.114   6.9649  159.288   7.5135 -7.173264 10.24512 
1 1 1   12   17   10 o  135.194   5.3193  125.555   9.6474  133.656   13.033  115.735   14.349  140.121   6.8636  130.267   8.1283 9.854141 10.63854 
1 1 1   12   17   11 o   65.115   10.283   29.841   6.6157   29.942   7.1379   29.227   17.620   66.264   7.9489   63.966   18.967 2.298000 20.56539 
1 1 1   12   17   12 o  101.990   8.1183   76.383   8.0523   78.804   8.8256   64.357   19.671  107.642   6.0504   96.338   15.067 11.30309 16.23665 
1 1 1   12   17   13 o  191.214   6.1859  245.246   12.599  242.520   13.975  257.080   29.117  188.893   5.4596  193.535   11.102 -4.640930 12.37184 
1 1 1   12   17   14 o   84.576   9.3303   54.490   7.6211   56.853   8.4277   43.887   17.852   91.374   6.8062   77.779   17.375 13.59478 18.66058 
1 1 1   12   17   15 f  133.344   6.5628  113.745   9.3377  109.198   10.298  134.781   22.148  126.698   5.9976  139.990   11.675 -13.29149 13.12559 
1 1 1   12   17   16 o  116.132   7.7615   96.788   10.152  100.490   11.640   85.021   20.752  121.439   7.0730  110.825   13.818 10.61395 15.52303 
1 1 1   12   17   17 o  305.708   6.7541  650.792   25.392  666.708   30.349  613.656   46.359  312.749   7.1609  298.667   11.454 14.08203 13.50826 
1 1 1   12   17   18 o  264.403   6.5680  492.401   21.170  512.041   25.266  446.122   38.785  274.139   6.8011  254.668   11.238 19.47063 13.13606 
1 1 1   12   17   19 o   92.731   8.7270   62.618   7.9154   63.986   8.7419   56.394   18.648   96.911   6.6566   88.551   16.135 8.360123 17.45396 
1 1 1   12   17   20 o   74.096   9.4090   38.047   7.0045   37.668   7.6970   39.870   16.897   74.281   7.6464   73.911   17.194 0.3706970 18.81792 
1 1 1   12   17   21 o  153.525   6.1102  153.699   10.147  148.945   11.261  174.221   23.399  147.952   5.6169  159.099   10.853 -11.14757 12.22043 
1 1 1   12   17   22 o  111.529   7.0119   84.480   8.2277   83.920   9.1052   86.975   19.209  111.006   6.0529  112.051   12.650 -1.044991 14.02386 
1 1 1   12   17   23 o   57.158   9.9612   25.433   6.5690   27.332   7.2470   16.684   15.555   63.183   8.4640   51.134   18.035 12.04869 19.92236 
1 1 1   12   17   24 o   97.950   7.1891   59.066   7.6738   54.841   8.4724   78.359   18.105   89.633   6.9752  106.266   12.573 -16.63247 14.37811 
1 1 1   12   17   25 o  130.355   6.9266  127.034   9.5084  134.129   10.712  100.682   20.645  140.342   5.6326  120.368   12.656 19.97327 13.85325 
1 1 1   12   17   26 o   93.115   8.5139   65.471   7.7901   68.222   8.6684   53.922   17.761  100.001   6.3967   86.229   15.781 13.77155 17.02781 
1 1 1   12   17   27 o   60.321   8.9448   25.001   7.3117   25.001   7.3117   0.0000   0.0000   60.321   8.9448  ?   ?       ?      ? 
1 1 1   12   17   28 o   84.095   7.2356   48.382   8.2457   48.382   8.2457   0.0000   0.0000   84.095   7.2356  ?   ?       ?      ? 
1 1 1   12   17   29 o   94.014   6.9995   60.460   8.9175   60.460   8.9175   0.0000   0.0000   94.014   6.9995  ?   ?       ?      ? 
1 1 1   12   17   30 o   81.626   8.0525   41.684   7.4212   38.317   8.2913   55.246   16.641   74.687   8.1921   88.564   13.866 -13.87652 16.10505 
1 1 1   12   17   31 o   79.731   8.3893   43.039   7.3307   41.501   8.2732   48.661   15.815   77.743   7.8528   81.718   14.828 -3.974098 16.77867 
1 1 1   12   17   32 o   62.730   9.7048   30.359   6.9357   32.172   7.8569   23.957   14.762   68.345   8.4832   57.115   17.458 11.23036 19.40953 
1 1 1   12   17   33 o   93.896   9.0856   75.799   8.2022   85.331   9.3324   43.444   17.195  111.706   6.1650   76.086   17.094 35.62006 18.17128 
1 1 1   12   17   34 o   77.204   9.1233   47.766   7.3260   51.701   8.3383   34.444   15.341   86.792   7.0895   67.617   16.813 19.17528 18.24662 
1 1 1   12   17   35 o  184.792   5.9916  237.830   12.488  239.443   14.208  232.352   26.185  187.184   5.6014  182.401   10.593 4.782578 11.98317 
1 1 1   12   17   36 o   60.962   9.7267   28.316   6.8137   29.509   7.6980   24.002   14.642   65.278   8.7022   56.646   17.398 8.631607 19.45340 
1 1 1   12   17   37 o   85.974   7.2802   43.213   7.1777   36.870   8.0028   69.306   16.231   73.031   8.0863   98.916   12.108 -25.88522 14.56031 
1 1 1   12   17   38 o   74.775   8.2213   38.705   6.8652   37.464   7.8214   42.870   14.329   73.617   7.8401   75.932   14.453 -2.315376 16.44256 
1 1 1   12   17   39 o  118.916   6.6079  101.482   8.8960  103.969   10.193   93.533   18.223  123.070   6.1119  114.762   11.718 8.307724 13.21574 
1 1 1   12   17   40 o  112.258   6.4647   83.486   8.3425   79.645   9.4554   96.982   17.724  107.577   6.4860  116.939   11.185 -9.361465 12.92934 
1 1 1   12   17   41 o   44.389   10.864   11.370   7.6874   6.5978   9.2836   21.780   13.712   35.316   13.652   53.462   16.903 -18.14615 21.72753 
1 1 1   12   17   42 o   57.410   10.200   26.045   7.7794   28.651   9.5920   21.037   13.298   62.351   11.784   52.469   16.652 9.881466 20.39977 
1 1 1   12   17   43 o   80.413   8.2294   46.068   8.4697   45.213   10.377   47.775   14.661   80.055   9.5649   80.771   13.394 -0.7155685 16.45887 
1 1 1   12   17   44 o   59.426   10.274   26.911   7.7991   26.439   9.4288   27.932   13.878   59.503   12.105   59.350   16.604 0.1525192 20.54821 
1 1 1   12   17   45 o   65.105   9.6325   33.071   7.8443   35.205   9.5450   28.632   13.768   70.305   10.019   59.905   16.455 10.40062 19.26503 
1 1 1   12   17   46 o   65.673   9.8657   35.137   8.0556   39.022   9.7140   26.582   14.415   74.034   9.6824   57.311   17.192 16.72374 19.73145 
1 1 1   12   17   47 o   47.000   10.621   16.728   7.2789   16.435   8.7428   17.388   13.140   46.260   13.261   47.739   16.593 -1.479259 21.24151 
1 1 1   12   17   48 o   58.453   11.582   25.707   8.8502   25.707   8.8502   0.0000   0.0000   58.453   11.582  ?   ?       ?      ? 
1 1 1   12   17   49 o   66.624   10.061   31.994   9.0835   31.994   9.0835   0.0000   0.0000   66.624   10.061  ?   ?       ?      ? 
1 1 1   12   17   50 o   34.293   13.873   5.6577   9.9976   5.6577   9.9976   0.0000   0.0000   34.293   13.873  ?   ?       ?      ? 
1 1 1   12   17   51 o   77.437   12.226   44.791   12.830   44.791   12.830   0.0000   0.0000   77.437   12.226  ?   ?       ?      ? 
1 1 1   12   17   52 o   60.447   14.769   29.530   11.995   29.530   11.995   0.0000   0.0000   60.447   14.769  ?   ?       ?      ? 
1 1 1   12   17   53 f   50.409   12.445   19.850   8.4498   19.850   8.4498   0.0000   0.0000   50.409   12.445  ?   ?       ?      ? 
1 1 1   12   18    0 o  174.043   5.1725  207.881   12.104  220.367   16.449  193.138   17.874  179.860   6.7488  168.225   7.8405 11.63499 10.34503 
1 1 1   12   18    1 o  146.750   5.3300  147.286   10.529  150.497   14.189  143.350   15.708  148.597   7.0460  144.903   7.9993 3.694107 10.66000 
1 1 1   12   18    2 f  125.035   7.8399  113.298   12.152   91.789   20.882  124.312   14.942  115.160   13.381  134.910   8.1732 -19.75040 15.67980 
1 1 1   12   18    3 o  118.109   8.7991   95.408   14.083   0.0000   0.0000   95.408   14.083  ?   ?   118.109   8.7991      ?      ? 
1 1 1   12   18    4 o   94.438   11.227   69.790   12.986   34.861   19.328   98.535   17.534   69.140   19.684  119.735   10.806 -50.59594 22.45488 
1 1 1   12   18    5 o  148.749   8.0279  151.126   16.182   0.0000   0.0000  151.126   16.182  ?   ?   148.749   8.0279      ?      ? 
1 1 1   12   18    6 f  123.688   6.5549  106.105   10.826   94.927   16.207  115.113   14.548  117.595   10.170  129.780   8.2722 -12.18546 13.10981 
1 1 1   12   18    7 o   94.691   7.1697   61.031   9.1371   72.048   13.567   51.888   12.361  102.488   9.7687   86.894   10.497 15.59467 14.33931 
1 1 1   12   18    8 f   72.888   8.7744   37.256   8.3896   44.861   12.190   30.412   11.564   80.711   11.145   65.065   13.555 15.64622 17.54883 
1 1 1   12   18    9 o   68.532   8.8250   36.092   7.6231   49.071   10.191   19.607   11.486   84.653   8.8840   52.411   15.251 32.24255 17.65003 
1 1 1   12   18   10 o  195.856   6.5019  253.074   15.277  242.405   17.688  284.400   30.308  188.524   6.9235  203.187   11.007 -14.66341 13.00370 
1 1 1   12   18   11 f  134.525   6.8435  122.158   9.5132  121.030   10.467  127.508   22.806  133.335   5.7931  135.715   12.400 -2.380249 13.68692 
1 1 1   12   18   12 o  150.356   6.4901  149.695   10.201  146.733   11.232  163.644   24.375  146.820   5.6454  153.891   11.688 -7.071198 12.98015 
1 1 1   12   18   13 o   62.082   10.058   31.416   6.7381   33.909   7.3868   19.066   16.442   70.429   7.7397   53.735   18.568 16.69395 20.11664 
1 1 1   12   18   14 o  118.667   6.9844   92.913   8.6327   90.780   9.4898  103.146   20.787  115.424   6.0670  121.910   12.583 -6.485535 13.96887 
1 1 1   12   18   15 o  141.084   6.4996  130.719   9.6582  127.360   10.644  146.378   22.981  136.744   5.7439  145.424   11.661 -8.680176 12.99911 
1 1 1   12   18   16 o  122.840   6.6692   95.810   8.7130   91.336   9.5883  117.014   20.874  115.751   6.1127  129.930   11.855 -14.17931 13.33837 
1 1 1   12   18   17 o   68.098   9.7665   33.217   6.8467   33.353   7.5358   32.572   16.388   69.787   7.9685   66.408   17.834 3.378311 19.53301 
1 1 1   12   18   18 o   48.227   10.538   16.101   6.3731   16.591   6.9646   13.575   15.802   48.058   10.940   48.396   18.015 -0.3371429 21.07610 
1 1 1   12   18   19 o   50.878   10.718   19.020   6.6045   20.152   7.1194   12.033   17.688   53.175   10.252   48.581   18.826 4.593876 21.43630 
1 1 1   12   18   20 o   82.552   7.3628   46.647   8.2366   46.647   8.2366   0.0000   0.0000   82.552   7.3628  ?   ?       ?      ? 
1 1 1   12   18   21 o   56.210   10.059   22.455   7.3811   22.455   7.3811   0.0000   0.0000   56.210   10.059  ?   ?       ?      ? 
1 1 1   12   18   22 o  121.755   7.6528  108.077   9.1820  110.737   10.079   95.097   22.262  127.397   5.8383  116.113   14.148 11.28439 15.30555 
1 1 1   12   18   23 o   43.623   10.709   11.084   6.3491   10.232   7.0003   15.036   15.075   38.393   12.070   48.853   17.693 -10.45979 21.41793 
1 1 1   12   18   24 o   82.261   8.7631   46.483   8.3380   44.806   9.6466   51.438   16.580   80.620   8.8298   83.903   15.139 -3.282455 17.52617 
1 1 1   12   18   25 o   82.432   9.5679   59.748   7.5622   66.754   8.4916   32.896   16.624   98.794   6.3427   66.069   18.054 32.72442 19.13577 
1 1 1   12   18   26 o   40.574   9.8649   11.449   6.1248   13.600   6.7475   1.3803   14.597   43.334   11.354   37.814   16.135 5.519150 19.72976 
1 1 1   12   18   27 o   92.261   7.5879   58.191   7.5987   57.396   8.4851   61.412   17.076   91.488   6.8440   93.034   13.545 -1.545586 15.17571 
1 1 1   12   18   28 o   50.904   9.3418   21.795   6.4947   25.932   7.3095   6.2789   14.155   61.225   8.8099   40.583   16.476 20.64258 18.68361 
1 1 1   12   18   29 o   73.866   8.9162   41.279   7.0000   42.868   7.9337   35.698   14.873   78.925   7.4178   68.806   16.216 10.11942 17.83231 
1 1 1   12   18   30 o   97.839   7.5362   70.637   7.9736   73.375   9.0227   60.875   17.038  103.423   6.4378   92.254   13.628 11.16925 15.07238 
1 1 1   12   18   31 o  150.860   6.2102  160.725   10.485  163.022   11.921  152.872   22.042  154.322   5.7001  147.398   11.035 6.924561 12.42033 
1 1 1   12   18   32 o   56.663   9.5804   27.553   6.7695   31.603   7.6473   12.886   14.553   67.514   8.3586   45.812   17.241 21.70212 19.16075 
1 1 1   12   18   33 o   94.953   7.7637   69.206   7.9541   73.803   9.0770   53.996   16.510  103.608   6.4649   86.299   14.118 17.30989 15.52740 
1 1 1   12   18   34 o   53.228   9.9140   20.664   6.3632   20.413   7.1846   21.580   13.705   53.013   10.372   53.442   16.899 -0.4286308 19.82802 
1 1 1   12   18   35 o  111.519   7.0668   86.428   9.8068   84.701   11.706   90.491   17.958  110.491   7.8184  112.548   11.774 -2.056587 14.13365 
1 1 1   12   18   36 o   33.640   9.5444   4.4874   6.8660   8.5348   8.4421  -3.4206   11.800   36.593   13.242   30.688   13.748 5.904964 19.08880 
1 1 1   12   18   37 o   46.955   10.514   16.462   7.3297   16.967   9.0739   15.515   12.434   47.462   13.478   46.449   16.142 1.012833 21.02868 
1 1 1   12   18   38 o   52.313   10.186   17.970   7.4744   10.488   9.1457   33.018   12.970   39.228   13.830   65.399   14.960 -26.17031 20.37287 
1 1 1   12   18   39 o   53.375   10.213   22.745   7.4358   24.967   9.0286   18.060   13.110   57.825   11.918   48.926   16.589 8.898178 20.42609 
1 1 1   12   18   40 o   36.958   10.019   8.0709   7.0710   10.797   8.6076   2.4141   12.400   39.100   13.439   34.815   14.864 4.285156 20.03864 
1 1 1   12   18   41 o   41.709   9.0208   12.539   7.1807   22.563   8.7211  -8.5636   12.653   54.647   12.096   28.771   13.386 25.87597 18.04157 
1 1 1   12   18   42 f   44.565   10.462   12.407   7.0936   7.5898   8.5035   23.432   12.864   35.080   13.184   54.049   16.247 -18.96898 20.92347 
1 1 1   12   18   43 o   50.049   12.572   19.242   8.5155   19.242   8.5155   0.0000   0.0000   50.049   12.572  ?   ?       ?      ? 
1 1 1   12   18   44 o   62.567   11.183   29.256   9.1335   29.256   9.1335   0.0000   0.0000   62.567   11.183  ?   ?       ?      ? 
1 1 1   12   18   45 o   80.714   8.9568   46.447   9.7968   46.447   9.7968   0.0000   0.0000   80.714   8.9568  ?   ?       ?      ? 
1 1 1   12   18   46 o   73.301   13.496   41.727   12.912   41.727   12.912   0.0000   0.0000   73.301   13.496  ?   ?       ?      ? 
1 1 1   12   18   47 o   46.949   15.778   17.557   11.858   17.557   11.858   0.0000   0.0000   46.949   15.778  ?   ?       ?      ? 
1 1 1   12   18   48 o   53.436   15.720   23.588   12.144   23.588   12.144   0.0000   0.0000   53.436   15.720  ?   ?       ?      ? 
1 1 1   12   18   49 o   21.041   9.9078  -6.6663   7.2894  -6.6663   7.2894   0.0000   0.0000   21.041   9.9078  ?   ?       ?      ? 
1 1 1   12   19    0 o   66.984   10.551   37.997   8.4913   43.859   9.7205   19.117   17.445   79.894   8.9783   54.073   19.096 25.82087 21.10175 
1 1 1   12   19    1 o   96.300   6.3642   63.224   8.2457   59.740   10.913   67.860   12.588   93.287   8.6325   99.313   9.3536 -6.026169 12.72830 
1 1 1   12   19    2 o  113.704   5.9220   89.358   9.0153   93.729   12.044   83.790   13.595  117.014   7.5957  110.394   9.0876 6.619926 11.84394 
1 1 1   12   19    3 o  123.704   5.7531  103.924   9.5548   98.032   12.546  112.062   14.744  119.638   7.7382  127.769   8.5156 -8.131180 11.50625 
1 1 1   12   19    4 o  120.041   5.8153   97.805   9.3805   91.302   12.342  106.697   14.434  115.425   7.8908  124.656   8.5444 -9.230766 11.63063 
1 1 1   12   19    5 o   93.747   6.4677   59.999   8.1222   57.491   10.616   63.540   12.614   91.491   8.5626   96.002   9.6957 -4.510712 12.93534 
1 1 1   12   19    6 o  101.495   6.1469   69.691   8.3686   63.426   10.926   78.582   13.016   96.113   8.3888  106.878   8.9871 -10.76554 12.29387 
1 1 1   12   19    7 o   82.747   7.0406   47.599   7.7587   49.180   10.182   45.411   11.981   84.553   8.8866   80.940   10.923 3.613785 14.08113 
1 1 1   12   19    8 o   67.081   9.7318   32.783   8.5494   28.817   12.133   36.695   12.049   62.738   14.553   71.424   12.925 -8.686615 19.46353 
1 1 1   12   19    9 f  145.956   7.2469  147.988   14.123  151.118   18.580  143.706   21.735  148.069   9.2598  143.843   11.150 4.225220 14.49387 
1 1 1   12   19   10 o   82.093   9.2887   46.476   10.333   46.476   10.333   0.0000   0.0000   82.093   9.2887  ?   ?       ?      ? 
1 1 1   12   19   11 o  143.895   5.7581  141.278   11.228  141.278   11.228   0.0000   0.0000  143.895   5.7581  ?   ?       ?      ? 
1 1 1   12   19   12 o   34.213   13.111   5.8437   8.5098   5.8437   8.5098   0.0000   0.0000   34.213   13.111  ?   ?       ?      ? 
1 1 1   12   19   13 o   43.386   13.604   13.243   8.8998   13.243   8.8998   0.0000   0.0000   43.386   13.604  ?   ?       ?      ? 
1 1 1   12   19   14 o   57.118   11.175   22.623   8.0114   21.266   9.1954   26.900   16.321   53.989   12.769   60.246   18.344 -6.257008 22.35048 
1 1 1   12   19   15 o  139.727   6.9251  134.893   11.751  134.398   13.837  136.171   22.255  139.959   7.2957  139.494   11.773 0.4648895 13.85020 
1 1 1   12   19   16 o   75.394   9.9532   41.577   8.6566   42.140   10.051   39.960   17.035   78.006   9.5084   72.783   17.489 5.222778 19.90644 
1 1 1   12   19   17 o   49.873   11.398   17.026   7.9269   16.662   9.0883   18.185   16.206   47.804   13.459   51.943   18.399 -4.139843 22.79614 
1 1 1   12   19   18 o   72.025   9.6381   41.275   7.1062   43.686   7.9222   31.344   16.076   79.737   7.3317   64.313   17.827 15.42467 19.27619 
1 1 1   12   19   19 o   57.490   10.052   25.236   6.6221   26.365   7.3120   20.086   15.617   61.742   8.7392   53.237   18.105 8.504429 20.10426 
1 1 1   12   19   20 o  103.462   7.4835   75.924   8.0519   76.598   8.9257   72.979   18.659  105.748   6.2285  101.175   13.609 4.572372 14.96693 
1 1 1   12   19   21 o   76.549   9.3550   45.399   7.1361   47.211   7.9270   37.655   16.389   82.869   7.0588   70.228   17.327 12.64116 18.71003 
1 1 1   12   19   22 o   47.318   8.5318   20.156   6.2153   26.249   6.9100  -5.6580   14.224   61.601   8.2776   33.035   14.921 28.56577 17.06365 
1 1 1   12   19   23 o  106.393   6.8586   74.632   7.9486   71.803   8.8372   86.615   18.187  102.284   6.3757  110.502   12.145 -8.218269 13.71710 
1 1 1   12   19   24 o   42.623   9.5689   13.905   6.0848   16.514   6.8054   3.5077   13.588   47.569   10.803   37.677   15.797 9.891922 19.13785 
1 1 1   12   19   25 o   46.663   10.055   15.613   6.0516   15.852   6.7373   14.617   13.769   46.544   10.877   46.782   16.915 -0.2374992 20.11006 
1 1 1   12   19   26 o   29.168   8.7775   1.8343   5.5174   4.3058   6.1063  -9.1555   12.876   29.022   11.110   29.314   13.592 -0.2920609 17.55491 
1 1 1   12   19   27 o   97.482   6.9785   63.093   7.5571   60.483   8.4576   73.428   16.831   93.699   6.6609  101.265   12.265 -7.565994 13.95694 
1 1 1   12   19   28 o   46.042   10.425   12.097   6.9540   7.1196   8.1520   25.398   13.326   34.738   12.937   57.347   16.350 -22.60924 20.84939 
1 1 1   12   19   29 o   51.522   10.549   17.604   7.1327   13.992   8.3199   27.620   13.855   43.523   13.063   59.522   16.568 -15.99929 21.09819 
1 1 1   12   19   30 o   54.030   10.412   21.589   7.2495   20.738   8.5090   23.841   13.846   52.705   12.161   55.355   16.905 -2.649097 20.82471 
1 1 1   12   19   31 o   73.619   9.1569   40.448   8.0059   41.003   9.5098   39.095   14.834   76.342   9.1924   70.895   15.840 5.446404 18.31374 
1 1 1   12   19   32 o   67.348   9.5486   30.336   7.7643   24.631   9.0880   45.755   14.940   57.413   12.064   77.284   14.804 -19.87137 19.09720 
1 1 1   12   19   33 o   46.754   10.542   14.616   7.0157   11.309   8.3104   22.819   13.089   39.663   13.207   53.845   16.434 -14.18201 21.08375 
1 1 1   12   19   34 o   85.520   7.9520   50.811   8.5379   47.612   10.178   58.408   15.684   82.047   9.1543   88.992   13.005 -6.944771 15.90400 
1 1 1   12   19   35 o   28.557   9.0796  -4.4798   6.5153  -7.4226   7.6191   3.5268   12.567   21.463   10.114   35.650   15.082 -14.18649 18.15927 
1 1 1   12   19   36 o   91.995   7.7832   60.430   8.8863   59.113   10.599   63.548   16.304   91.514   8.5465   92.477   13.010 -0.9626465 15.56641 
1 1 1   12   19   37 o   34.266   14.413   3.6206   11.370   3.6206   11.370   0.0000   0.0000   34.266   14.413  ?   ?       ?      ? 
1 1 1   12   19   38 o   59.043   15.557   28.107   12.622   28.107   12.622   0.0000   0.0000   59.043   15.557  ?   ?       ?      ? 
1 1 1   12   19   39 o   33.926   14.259   3.7456   11.116   3.7456   11.116   0.0000   0.0000   33.926   14.259  ?   ?       ?      ? 
1 1 1   12   19   40 o   37.755   14.996   8.1404   11.460   8.1404   11.460   0.0000   0.0000   37.755   14.996  ?   ?       ?      ? 
1 1 1   12   19   41 o   38.060   15.095   8.4789   11.596   8.4789   11.596   0.0000   0.0000   38.060   15.095  ?   ?       ?      ? 
1 1 1   12   19   42 o   42.920   16.053   13.378   12.578   13.378   12.578   0.0000   0.0000   42.920   16.053  ?   ?       ?      ? 
1 1 1   12   19   43 o   89.596   8.4343   57.219   10.240   57.219   10.240   0.0000   0.0000   89.596   8.4343  ?   ?       ?      ? 
1 1 1   12   19   44 o   50.967   12.688   20.416   8.7294   20.416   8.7294   0.0000   0.0000   50.967   12.688  ?   ?       ?      ? 
1 1 1   12   20    0 o  103.218   7.2804   74.526   9.2573   74.971   11.035   73.469   17.007  104.344   7.8043  102.092   12.293 2.252106 14.56082 
1 1 1   12   20    1 o   47.750   9.9788   15.700   6.7280   12.854   8.4086   20.764   11.217   42.513   13.206   52.988   14.964 -10.47437 19.95758 
1 1 1   12   20    2 o   85.373   6.9184   49.787   7.8294   46.653   9.9530   54.874   12.681   82.088   8.9473   88.658   10.555 -6.569618 13.83689 
1 1 1   12   20    3 o  189.501   5.1535  247.949   13.119  256.019   17.612  237.891   19.662  193.182   6.7278  185.820   7.8083 7.361740 10.30691 
1 1 1   12   20    4 o   56.634   9.2911   22.498   6.8483   18.527   8.6223   29.285   11.271   50.225   12.670   63.043   13.593 -12.81772 18.58215 
1 1 1   12   20    5 o   93.148   9.1062   64.370   9.2300   66.312   10.583   58.200   18.865   98.048   7.9651   88.248   16.378 9.800507 18.21240 
1 1 1   12   20    6 o   80.791   10.174   54.458   8.7272   60.341   10.004   35.728   17.851   93.531   7.8932   68.052   18.755 25.47907 20.34800 
1 1 1   12   20    7 o   84.892   9.6379   55.206   8.7371   57.751   9.9720   46.796   18.127   91.454   8.0463   78.330   17.516 13.12422 19.27575 
1 1 1   12   20    8 o   80.677   8.6916   41.116   8.2401   36.662   9.3377   56.792   17.517   72.583   9.4934   88.771   14.562 -16.18794 17.38311 
1 1 1   12   20    9 o   26.581   8.3732  -2.3526   5.8854  -1.8158   7.3449  -3.3157   9.8371   25.002   11.044   28.159   12.589 -3.156450 16.74639 
1 1 1   12   20   10 o   66.473   10.522   33.149   8.0376   33.751   9.0970   31.006   17.162   69.569   9.6493   63.377   18.700 6.192348 21.04305 
1 1 1   12   20   11 o   76.375   9.8702   43.114   7.2732   43.344   7.9378   41.915   18.158   79.289   7.3876   73.461   18.306 5.828674 19.74043 
1 1 1   12   20   12 o   54.418   9.4248   27.230   6.5563   31.782   7.1934   4.8950   15.934   67.808   7.8283   41.027   17.147 26.78132 18.84960 
1 1 1   12   20   13 o   54.298   10.221   22.400   6.4989   23.323   7.0977   17.615   16.166   57.875   9.0500   50.722   18.330 7.152596 20.44211 
1 1 1   12   20   14 o   27.752   9.1173  -4.7577   6.5037  -3.7451   7.2070  -9.1989   15.094   23.234   10.546   32.271   14.876 -9.036453 18.23461 
1 1 1   12   20   15 o   82.405   7.0646   46.831   7.8891   46.831   7.8891   0.0000   0.0000   82.405   7.0646  ?   ?       ?      ? 
1 1 1   12   20   16 o   60.563   10.038   30.328   6.6003   32.282   7.2144   20.290   16.348   68.266   7.7986   52.859   18.500 15.40694 20.07693 
1 1 1   12   20   17 o   39.923   9.4203   12.004   6.0387   15.182   6.6288  -3.5022   14.641   45.459   10.901   34.387   15.366 11.07153 18.84056 
1 1 1   12   20   18 o   32.031   9.7407   0.7311   5.7603  -0.2476   6.2883   5.8350   14.360   24.263   10.475   39.799   16.426 -15.53666 19.48149 
1 1 1   12   20   19 o   51.289   8.6922   25.513   6.4492   31.990   7.1225  -3.9659   15.195   67.894   7.7413   34.684   15.566 33.21008 17.38441 
1 1 1   12   20   20 o   72.501   9.6794   42.692   6.9824   44.829   7.7213   33.103   16.356   80.501   7.0779   64.502   18.018 15.99924 19.35876 
1 1 1   12   20   21 o   72.401   9.9932   46.506   8.2232   54.176   9.5827   25.079   16.016   88.200   8.0174   56.601   18.308 31.59990 19.98631 
1 1 1   12   20   22 o   39.875   10.689   6.2737   6.8528   2.9404   7.7281   18.539   14.824   29.606   12.114   50.144   17.614 -20.53810 21.37744 
1 1 1   12   20   23 o   49.669   10.463   19.818   7.3660   22.247   8.4760   12.322   14.889   54.641   11.793   44.696   17.286 9.944099 20.92530 
1 1 1   12   20   24 o   38.416   10.141   3.3995   6.6971  -2.0654   7.6846   20.658   13.656   25.131   11.188   51.701   16.917 -26.57080 20.28195 
1 1 1   12   20   25 o   48.221   10.624   17.798   7.1880   18.545   8.2875   15.532   14.441   49.527   12.381   46.915   17.267 2.612026 21.24762 
1 1 1   12   20   26 o   26.478   8.7631  -6.1856   6.4452  -6.3012   7.3222  -5.7880   13.582   21.576   10.086   31.380   14.333 -9.803486 17.52618 
1 1 1   12   20   27 o   85.983   9.0982   57.893   8.7321   61.192   10.223   48.995   16.791   93.403   8.0770   78.562   16.306 14.84077 18.19635 
1 1 1   12   20   28 o   52.151   9.6589   23.551   7.4373   29.299   8.6890   7.7988   14.384   63.986   10.021   40.316   16.516 23.67079 19.31781 
1 1 1   12   20   29 o   62.935   10.066   28.994   7.5177   26.936   8.6786   35.180   15.047   60.192   11.047   65.678   16.829 -5.486053 20.13109 
1 1 1   12   20   30 o   75.651   9.6555   43.087   8.2154   42.583   9.4227   44.682   16.775   77.430   8.9802   73.872   17.096 3.557808 19.31108 
1 1 1   12   20   31 o   97.675   8.0133   67.209   10.607   67.209   10.607   0.0000   0.0000   97.675   8.0133  ?   ?       ?      ? 
1 1 1   12   20   32 o   53.414   12.227   21.873   8.6591   21.873   8.6591   0.0000   0.0000   53.414   12.227  ?   ?       ?      ? 
1 1 1   12   20   33 o   36.128   13.018   8.9465   8.1463   8.9465   8.1463   0.0000   0.0000   36.128   13.018  ?   ?       ?      ? 
1 1 1   12   20   34 o   53.001   12.342   21.690   8.6989   21.690   8.6989   0.0000   0.0000   53.001   12.342  ?   ?       ?      ? 
1 1 1   12   20   35 o   42.801   13.082   14.179   8.2895   14.179   8.2895   0.0000   0.0000   42.801   13.082  ?   ?       ?      ? 
1 1 1   12   20   36 f   34.269   12.719   7.6909   7.8660   7.6909   7.8660   0.0000   0.0000   34.269   12.719  ?   ?       ?      ? 
1 1 1   12   20   37 o   35.624   12.908   8.7778   8.0247   8.7778   8.0247   0.0000   0.0000   35.624   12.908  ?   ?       ?      ? 
1 1 1   12   20   38 o   59.855   11.132   27.164   8.6968   27.164   8.6968   0.0000   0.0000   59.855   11.132  ?   ?       ?      ? 
1 1 1   12   20   39 o   39.957   13.133   12.248   8.2265   12.248   8.2265   0.0000   0.0000   39.957   13.133  ?   ?       ?      ? 
1 1 1   12   21    0 o   63.873   8.5926   32.052   6.9721   40.304   9.1111   20.393   10.830   75.927   8.8550   51.819   14.728 24.10820 17.18512 
1 1 1   12   21    1 o   38.952   9.6923   10.238   6.3224   11.423   8.0749   8.3613   10.163   40.001   13.005   37.903   14.375 2.097504 19.38459 
1 1 1   12   21    2 o   47.969   9.7373   16.449   6.5692   13.101   8.3556   21.867   10.630   42.328   13.167   53.611   14.349 -11.28299 19.47464 
1 1 1   12   21    3 o   94.562   6.4382   63.179   8.0799   65.427   10.544   59.981   12.577   96.970   8.0236   92.155   10.071 4.815002 12.87641 
1 1 1   12   21    4 o   46.002   9.3164   16.466   6.4950   21.635   8.2767   8.1807   10.479   54.055   11.643   37.950   14.547 16.10561 18.63284 
1 1 1   12   21    5 f   47.389   7.9545   17.699   6.3864   30.111   8.1358  -2.2274   10.309   65.493   9.1669   29.285   13.002 36.20770 15.90890 
1 1 1   12   21    6 o   49.145   9.7388   18.177   6.6161   18.066   8.3764   18.360   10.788   49.068   12.548   49.221   14.897 -0.1521263 19.47760 
1 1 1   12   21    7 o   99.483   6.2174   70.112   8.1589   73.112   10.553   65.654   12.864  102.577   7.5919   96.390   9.8481 6.186729 12.43471 
1 1 1   12   21    8 o   86.927   6.5770   52.292   7.6046   48.742   9.7305   57.862   12.189   83.436   8.6059   90.418   9.9482 -6.981377 13.15406 
1 1 1   12   21    9 o   48.810   9.8819   20.378   7.3204   25.419   8.3399   3.4585   15.279   58.883   10.852   38.738   16.518 20.14548 19.76380 
1 1 1   12   21   10 o   31.051   9.6473   0.3538   5.6525  -0.1220   6.1085   3.1885   14.911   23.941   10.330   38.162   16.296 -14.22118 19.29458 
1 1 1   12   21   11 o   65.562   10.121   31.951   7.3826   31.596   8.2696   33.345   16.385   66.972   9.1118   64.152   18.074 2.820183 20.24102 
1 1 1   12   21   12 o   54.747   10.614   22.869   7.1349   22.943   8.0087   22.582   15.709   55.735   10.994   53.758   18.159 1.977501 21.22779 
1 1 1   12   21   13 o  103.321   7.8583   76.452   9.3119   76.187   10.668   77.300   19.083  104.570   7.5284  102.072   13.796 2.497658 15.71656 
1 1 1   12   21   14 o   37.013   9.3597   8.7799   6.8206   14.725   7.8072 -10.3846   14.017   44.198   12.485   29.829   13.948 14.36878 18.71934 
1 1 1   12   21   15 o   50.599   10.879   18.578   7.2427   17.365   8.2699   22.571   15.005   47.806   12.591   53.392   17.745 -5.585056 21.75837 
1 1 1   12   21   16 f   76.715   10.145   50.743   8.5964   56.635   9.9650   33.604   16.996   89.825   8.1865   63.605   18.565 26.22070 20.28941 
1 1 1   12   21   17 o   69.904   10.143   41.697   8.1396   46.009   9.3995   28.767   16.275   80.783   8.5862   59.025   18.379 21.75802 20.28567 
1 1 1   12   21   18 o   70.810   9.9797   38.718   8.1096   39.131   9.3427   37.455   16.332   74.213   9.2899   67.408   17.666 6.804710 19.95933 
1 1 1   12   21   19 o   43.072   11.269   12.939   8.4411   13.876   10.200   10.904   15.037   43.181   14.632   42.964   17.142 0.2173233 22.53748 
1 1 1   12   21   20 o   30.535   13.059   1.4849   9.6002   1.4849   9.6002   0.0000   0.0000   30.535   13.059  ?   ?       ?      ? 
1 1 1   12   21   21 o   55.937   14.423   24.709   11.003   24.709   11.003   0.0000   0.0000   55.937   14.423  ?   ?       ?      ? 
1 1 1   12   21   22 o   49.756   11.566   19.824   8.9060   21.004   11.046   17.631   15.056   51.378   14.958   48.135   17.644 3.243011 23.13099 
1 1 1   12   21   23 o   48.619   14.874   18.706   10.714   18.706   10.714   0.0000   0.0000   48.619   14.874  ?   ?       ?      ? 
1 1 1   12   21   24 o   48.868   15.315   19.031   11.281   19.031   11.281   0.0000   0.0000   48.868   15.315  ?   ?       ?      ? 
1 1 1   12   21   25 o   56.852   14.936   26.030   11.657   26.030   11.657   0.0000   0.0000   56.852   14.936  ?   ?       ?      ? 
1 1 1   12   21   26 o   60.711   14.561   29.493   11.825   29.493   11.825   0.0000   0.0000   60.711   14.561  ?   ?       ?      ? 
1 1 1   12   21   27 f   57.407   14.308   26.368   11.091   26.368   11.091   0.0000   0.0000   57.407   14.308  ?   ?       ?      ? 
1 1 1   12   21   28 f   64.954   13.465   33.102   11.463   33.102   11.463   0.0000   0.0000   64.954   13.465  ?   ?       ?      ? 
1 1 1   12   21   29 o   44.059   14.656   15.209   10.235   15.209   10.235   0.0000   0.0000   44.059   14.656  ?   ?       ?      ? 
1 1 1   12   21   30 o   60.586   13.890   29.289   11.160   29.289   11.160   0.0000   0.0000   60.586   13.890  ?   ?       ?      ? 
1 1 1   12   21   31 o   58.905   13.889   27.799   10.906   27.799   10.906   0.0000   0.0000   58.905   13.889  ?   ?       ?      ? 
1 1 1   12   21   32 o   42.819   14.537   14.346   10.068   14.346   10.068   0.0000   0.0000   42.819   14.537  ?   ?       ?      ? 
1 1 1   12   21   33 o   44.459   14.953   15.804   10.651   15.804   10.651   0.0000   0.0000   44.459   14.953  ?   ?       ?      ? 
1 1 1   12   21   34 o   54.066   14.978   24.275   11.352   24.275   11.352   0.0000   0.0000   54.066   14.978  ?   ?       ?      ? 
1 1 1   12   22    0 o   22.561   10.824 -11.9954   9.5485   0.0000   0.0000 -11.9954   9.5485  ?   ?    22.561   10.824      ?      ? 
1 1 1   12   22    1 f   78.738   10.826   44.915   11.552   0.0000   0.0000   44.915   11.552  ?   ?    78.738   10.826      ?      ? 
1 1 1   12   22    2 o   31.940   13.485   2.6155   10.014   0.0000   0.0000   2.6155   10.014  ?   ?    31.940   13.485      ?      ? 
1 1 1   12   22    3 o   54.990   14.164   23.759   10.620   0.0000   0.0000   23.759   10.620  ?   ?    54.990   14.164      ?      ? 
1 1 1   12   22    4 o   52.911   10.107   22.139   7.7453   14.256   11.054   29.743   10.856   43.750   15.218   62.073   13.306 -18.32307 20.21480 
1 1 1   12   22    5 o   70.303   9.1451   37.541   8.4812   34.906   12.363   39.883   11.656   66.886   14.085   73.720   11.668 -6.834351 18.29021 
1 1 1   12   22    6 o   79.574   9.1809   49.913   9.0997   29.781   12.990   69.311   12.751   60.742   15.676   98.406   9.5618 -37.66344 18.36184 
1 1 1   12   22    7 f   61.921   9.7925   30.217   8.0283   26.024   11.642   34.019   11.086   57.102   14.890   66.741   12.722 -9.638474 19.58509 
1 1 1   12   22    8 o   52.179   10.366   21.514   7.6425   24.310   11.190   19.070   10.463   55.238   14.693   49.120   14.628 6.118481 20.73268 
1 1 1   12   22    9 o   76.779   8.6329   36.319   7.9291   28.941   8.9971   61.975   16.779   63.171   10.510   90.388   13.698 -27.21759 17.26573 
1 1 1   12   22   10 o   82.163   9.7309   61.212   8.6137   72.333   10.195   33.475   16.101  101.540   7.4093   62.785   17.996 38.75544 19.46173 
1 1 1   12   22   11 f   43.200   10.335   14.561   7.0129   16.512   8.0729   8.5611   14.158   46.216   12.561   40.183   16.414 6.033638 20.66919 
1 1 1   12   22   12 o   98.120   8.8369   79.315   9.2862   87.233   10.874   57.984   17.847  111.572   7.1921   84.669   16.144 26.90276 17.67371 
1 1 1   12   22   13 o   55.956   10.608   22.593   7.2592   19.879   8.2863   31.547   15.053   50.784   12.194   61.128   17.360 -10.34415 21.21505 
1 1 1   12   22   14 o   63.509   10.109   29.229   8.7006   29.229   8.7006   0.0000   0.0000   63.509   10.109  ?   ?       ?      ? 
1 1 1   12   22   15 o   44.426   12.552   15.300   7.8902   15.300   7.8902   0.0000   0.0000   44.426   12.552  ?   ?       ?      ? 
1 1 1   12   22   16 o   68.477   9.5619   33.805   8.8731   33.805   8.8731   0.0000   0.0000   68.477   9.5619  ?   ?       ?      ? 
1 1 1   12   22   17 o   58.897   10.940   26.118   8.4103   26.118   8.4103   0.0000   0.0000   58.897   10.940  ?   ?       ?      ? 
1 1 1   12   22   18 o   40.899   12.659   12.860   7.7344   12.860   7.7344   0.0000   0.0000   40.899   12.659  ?   ?       ?      ? 
1 1 1   12   22   19 o   44.503   12.638   15.469   7.9780   15.469   7.9780   0.0000   0.0000   44.503   12.638  ?   ?       ?      ? 
1 1 1   12   22   20 o   39.638   12.605   12.010   7.6165   12.010   7.6165   0.0000   0.0000   39.638   12.605  ?   ?       ?      ? 
1 1 1   12   22   21 o   48.405   12.289   18.311   8.0755   18.311   8.0755   0.0000   0.0000   48.405   12.289  ?   ?       ?      ? 
1 1 1   12   22   22 o   73.404   9.2267   38.897   9.1780   38.897   9.1780   0.0000   0.0000   73.404   9.2267  ?   ?       ?      ? 
1 1 1   12   22   23 o   45.240   12.504   16.094   7.9212   16.094   7.9212   0.0000   0.0000   45.240   12.504  ?   ?       ?      ? 
1 1 1   12   22   24 o   25.444   11.060   0.1619   7.1052   0.1619   7.1052   0.0000   0.0000   25.444   11.060  ?   ?       ?      ? 
1 1 1   12   22   25 o   47.182   12.380   17.560   8.0148   17.560   8.0148   0.0000   0.0000   47.182   12.380  ?   ?       ?      ? 
1 1 1   12   22   26 o   27.444   11.577   2.0148   7.3713   2.0148   7.3713   0.0000   0.0000   27.444   11.577  ?   ?       ?      ? 
1 1 1   12   22   27 o   33.618   12.505   7.6069   7.6120   7.6069   7.6120   0.0000   0.0000   33.618   12.505  ?   ?       ?      ? 
1 1 1   12   22   28 o   25.461   11.160  -0.1631   7.3688  -0.1631   7.3688   0.0000   0.0000   25.461   11.160  ?   ?       ?      ? 
1 1 1   12   23    0 o   41.360   9.4419   11.411   7.0877  -0.2587   10.129   22.608   9.9214   29.534   13.011   53.187   13.686 -23.65285 18.88379 
1 1 1   12   23    1 o   55.200   9.9734   24.438   7.4797   26.477   10.976   22.671   10.220   57.314   14.204   53.085   14.005 4.229588 19.94679 
1 1 1   12   23    2 f   29.736   9.3743  -0.9856   7.4912   0.3311   9.4163  -3.2557   12.364   29.009   12.668   30.463   13.821 -1.454523 18.74862 
1 1 1   12   23    3 o   38.890   10.824   9.2078   8.0134   7.8301   9.8538   11.898   13.770   35.849   14.007   41.930   16.506 -6.081169 21.64817 
1 1 1   12   23    4 o   48.622   10.838   20.045   8.5622   25.808   10.731   9.9475   14.204   56.605   14.054   40.638   16.503 15.96687 21.67602 
1 1 1   12   23    5 f   43.286   11.350   13.895   8.5943   13.257   10.694   15.059   14.441   41.810   14.932   44.761   17.097 -2.950901 22.69943 
1 1 1   12   23    6 o   38.144   10.851   7.8294   8.3195   5.1921   10.406   12.502   13.851   33.911   13.987   42.378   16.593 -8.466854 21.70212 
1 1 1   12   23    7 o   70.366   10.686   40.088   9.6819   38.772   12.351   42.187   15.594   70.063   13.498   70.669   16.571 -0.6057434 21.37284 
1 1 1   12   23    8 o   27.204   12.377  -3.5128   10.004  -3.5128   10.004   0.0000   0.0000   27.204   12.377  ?   ?       ?      ? 
1 1 1   12   23    9 o   25.258   11.709  -5.7419   9.5486  -5.7419   9.5486   0.0000   0.0000   25.258   11.709  ?   ?       ?      ? 
1 1 1   12   23   10 o   52.117   15.444   22.661   11.684   22.661   11.684   0.0000   0.0000   52.117   15.444  ?   ?       ?      ? 
1 1 1   12   23   11 o   71.970   13.918   41.400   13.083   41.400   13.083   0.0000   0.0000   71.970   13.918  ?   ?       ?      ? 
1 1 1   12   23   12 o   26.349   12.108  -4.5925   9.8915  -4.5925   9.8915   0.0000   0.0000   26.349   12.108  ?   ?       ?      ? 
1 1 1   12   23   13 o   42.124   15.260   13.682   11.215   13.682   11.215   0.0000   0.0000   42.124   15.260  ?   ?       ?      ? 
1 1 1   12   23   14 o   28.460   11.872   2.7622   7.6180   2.7622   7.6180   0.0000   0.0000   28.460   11.872  ?   ?       ?      ? 
1 1 1   12   23   15 o   84.461   8.4638   51.290   9.6873   51.290   9.6873   0.0000   0.0000   84.461   8.4638  ?   ?       ?      ? 
1 1 1   12   23   16 o   32.820   12.286   7.1273   7.3707   7.1273   7.3707   0.0000   0.0000   32.820   12.286  ?   ?       ?      ? 
1 1 1   12   23   17 o   37.089   12.653   10.426   7.6271   10.426   7.6271   0.0000   0.0000   37.089   12.653  ?   ?       ?      ? 
1 1 1   12   23   18 o   21.278   9.8602  -4.3940   6.7617  -4.3940   6.7617   0.0000   0.0000   21.278   9.8602  ?   ?       ?      ? 
1 1 1   12   23   19 o   27.806   11.486   3.0370   7.0303   3.0370   7.0303   0.0000   0.0000   27.806   11.486  ?   ?       ?      ? 
1 1 1   12   23   20 o   29.102   11.729   4.2171   7.1165   4.2171   7.1165   0.0000   0.0000   29.102   11.729  ?   ?       ?      ? 
1 1 1   12   23   21 o   64.503   9.5768   30.684   8.3711   30.684   8.3711   0.0000   0.0000   64.503   9.5768  ?   ?       ?      ? 
1 1 1   12   23   22 o   25.379   11.080   0.2779   7.1986   0.2779   7.1986   0.0000   0.0000   25.379   11.080  ?   ?       ?      ? 
1 1 1   12   24    0 o   38.545   10.718   8.5245   8.5058   1.5207   11.310   17.643   12.905   31.499   13.816   45.592   16.390 -14.09288 21.43635 
1 1 1   12   24    1 o   29.307   9.4160  -2.3778   8.0156  -2.9145   10.421  -1.6004   12.543   27.704   12.615   30.909   13.982 -3.204502 18.83199 
1 1 1   12   24    2 f   34.458   10.150   5.2554   8.2006   10.328   10.715  -1.9166   12.741   37.993   14.672   30.923   14.030 7.069550 20.30073 
1 1 1   12   24    3 o   38.886   10.941   10.564   8.5521   11.680   10.781   8.6709   14.045   39.295   14.829   38.478   16.092 0.8164864 21.88232 
1 1 1   12   24    4 o   34.166   14.131   6.1115   10.660   6.1115   10.660   0.0000   0.0000   34.166   14.131  ?   ?       ?      ? 
1 1 1   12   24    5 o   28.362   12.742  -1.2463   10.209  -1.2463   10.209   0.0000   0.0000   28.362   12.742  ?   ?       ?      ? 
1 1 1   12   24    6 o   34.776   14.199   6.9949   10.587   6.9949   10.587   0.0000   0.0000   34.776   14.199  ?   ?       ?      ? 
1 1 1   12   24    7 o   31.528   13.591   2.9591   10.553   2.9591   10.553   0.0000   0.0000   31.528   13.591  ?   ?       ?      ? 
1 1 1   12   24    8 o   50.442   15.463   22.335   11.572   22.335   11.572   0.0000   0.0000   50.442   15.463  ?   ?       ?      ? 
1 1 1   12   24    9 o   32.625   13.903   4.2302   10.812   4.2302   10.812   0.0000   0.0000   32.625   13.903  ?   ?       ?      ? 
1 1 1   12   24   10 o   54.220   12.069   23.643   8.6392   23.643   8.6392   0.0000   0.0000   54.220   12.069  ?   ?       ?      ? 
1 1 1   12   24   11 o   40.902   12.927   13.707   8.0206   13.707   8.0206   0.0000   0.0000   40.902   12.927  ?   ?       ?      ? 
1 1 1   12   24   12 o   44.948   12.716   16.698   8.0926   16.698   8.0926   0.0000   0.0000   44.948   12.716  ?   ?       ?      ? 
1 1 1   12   24   13 f   26.652   11.505   1.4023   7.5841   1.4023   7.5841   0.0000   0.0000   26.652   11.505  ?   ?       ?      ? 
1 1 1   12   24   14 o   48.009   12.559   19.075   8.2645   19.075   8.2645   0.0000   0.0000   48.009   12.559  ?   ?       ?      ? 
1 1 1   12   24   15 o   25.516   11.215   0.2916   7.4862   0.2916   7.4862   0.0000   0.0000   25.516   11.215  ?   ?       ?      ? 
1 1 1   12   25    0 o   45.056   10.782   17.664   8.9973   30.786   12.697   4.4279   12.752   56.943   15.864   33.169   14.607 23.77326 21.56439 
1 1 1   12   25    1 o   31.604   9.9326   2.7110   8.5485   4.2036   11.636   0.9606   12.600   32.190   14.069   31.019   14.024 1.171291 19.86516 
1 1 1   12   25    2 o   34.048   10.126   3.8681   8.4711  -5.9406   11.353   16.187   12.723   26.297   12.377   41.800   16.028 -15.50351 20.25103 
1 1 1   12   25    3 o   32.965   10.100   4.7681   8.3618   0.9795   11.339   9.2843   12.380   29.848   13.417   36.081   15.100 -6.232885 20.19970 
1 1 1   12   25    4 o   41.705   10.983   15.931   8.6488   21.158   11.843   9.9577   12.660   46.781   15.767   36.628   15.294 10.15317 21.96650 
1 1 1   12   25    5 o   25.340   8.4456  -7.0733   7.6671  -1.4007   10.667 -13.1363   11.028   27.732   12.680   22.949   11.159 4.782513 16.89130 
1 1 1   12   25    6 o   39.070   15.385   13.437   11.968   13.437   11.968   0.0000   0.0000   39.070   15.385  ?   ?       ?      ? 
1 1 1   12   25    7 o   29.632   12.172   5.1532   7.8397   5.1532   7.8397   0.0000   0.0000   29.632   12.172  ?   ?       ?      ? 
1 1 1   12   25    8 o   32.687   12.646   8.0753   7.9711   8.0753   7.9711   0.0000   0.0000   32.687   12.646  ?   ?       ?      ? 
1 1 1   13    0    0 o  520.423   9.2130  1838.07   64.928  1838.07   64.928   0.0000   0.0000  520.423   9.2130  520.423   9.2130 -0.000000 0.000000 
1 1 1   13    0    1 o  692.913   11.543  3259.27  108.322  3259.27  108.322   0.0000   0.0000  692.913   11.543  692.913   11.543 -0.000000 0.000000 
1 1 1   13    0    2 o  531.750   9.3261  1918.92   67.157  1918.92   67.157   0.0000   0.0000  531.750   9.3261  531.750   9.3261 -0.000000 0.000000 
1 1 1   13    0    3 o  725.843   12.043  3582.06  118.280  3515.28  165.219  3652.26  169.405  718.904   16.981  732.783   17.081 -0.000000 0.000000 
1 1 1   13    0    4 o  249.587   6.0811  423.601   20.507  412.008   28.647  435.786   29.369  246.072   8.6148  253.102   8.5852 -0.000000 0.000000 
1 1 1   13    0    5 o  580.371   9.9985  2288.99   78.520  2253.52  109.955  2325.90  112.166  575.779   14.111  584.962   14.169 -0.000000 0.000000 
1 1 1   13    0    6 o  1367.53   21.547 12767.56  398.806 12582.72  558.448 12959.94  569.715  1357.44   30.393  1377.62   30.551 -0.000000 0.000000 
1 1 1   13    0    7 o  1125.46   17.882  8631.35  272.420  8644.63  385.550  8618.11  384.972  1126.33   25.289  1124.60   25.290 -0.000000 0.000000 
1 1 1   13    0    8 o  1101.65   17.525  8255.96  261.142  7983.00  360.926  8555.83  378.307  1082.58   24.631  1120.73   24.937 -0.000000 0.000000 
1 1 1   13    0    9 o  1055.30   16.831  7572.52  240.242  7324.84  332.131  7844.33  347.927  1037.23   23.657  1073.37   23.947 -0.000000 0.000000 
1 1 1   13    0   10 o  376.270   7.3830  958.760   37.511  1038.27   54.831  888.808   51.430  390.925   10.367  361.615   10.515 -0.000000 0.000000 
1 1 1   13    0   11 o  563.641   9.7727  2150.06   74.390  2020.73  101.375  2300.95  109.502  545.325   13.738  581.957   13.903 -0.000000 0.000000 
1 1 1   13    0   12 o  1158.50   18.352  9137.21  287.789  9132.03  406.642  9142.40  407.350  1158.18   25.939  1158.83   25.969 -0.000000 0.000000 
1 1 1   13    0   13 o  1075.31   17.110  7864.22  248.977  7716.58  347.437  8020.08  356.969  1064.94   24.103  1085.68   24.291 -0.000000 0.000000 
1 1 1   13    0   14 o  797.644   13.041  4318.01  140.688  4495.82  203.825  4156.20  194.434  813.320   18.515  781.967   18.371 -0.000000 0.000000 
1 1 1   13    0   15 o  182.544   7.7621  227.064   19.122  227.064   19.122   0.0000   0.0000  182.544   7.7621  182.544   7.7621 -0.000000 0.000000 
1 1 1   13    0   16 o  697.981   16.391  3310.18  154.846  3310.18  154.846   0.0000   0.0000  697.981   16.391  697.981   16.391 -0.000000 0.000000 
1 1 1   13    0   17 o  845.084   19.376  4854.22  221.634  4854.22  221.634   0.0000   0.0000  845.084   19.376  845.084   19.376 -0.000000 0.000000 
1 1 1   13    0   18 o  528.009   9.2920  1885.90   66.247  1770.68   90.138  2021.24   97.691  510.523   13.048  545.496   13.233 -0.000000 0.000000 
1 1 1   13    0   19 o  460.165   8.3956  1438.21   52.268  1423.88   73.167  1453.15   74.692  457.827   11.811  462.504   11.935 -0.000000 0.000000 
1 1 1   13    0   20 o  416.812   7.8617  1180.21   44.329  1206.06   62.960  1154.79   62.424  421.355   11.044  412.269   11.192 -0.000000 0.000000 
1 1 1   13    0   21 o  1005.66   16.084  6870.12  218.804  7122.05  316.428  6639.29  302.886  1023.31   22.844  988.001   22.649 -0.000000 0.000000 
1 1 1   13    0   22 o  372.781   7.3505  940.810   36.998  884.552   50.521  1005.88   54.333  360.782   10.353  384.779   10.437 -0.000000 0.000000 
1 1 1   13    0   24 o  335.064   6.9247  763.021   31.375  782.772   44.495  743.488   44.249  339.398   9.6921  330.730   9.8929 -0.000000 0.000000 
1 1 1   13    0   25 o  817.694   13.343  4542.73  147.618  4677.22  212.329  4416.92  205.372  829.411   18.913  805.977   18.827 -0.000000 0.000000 
1 1 1   13    0   26 o  1062.58   16.945  7681.23  243.624  7889.66  350.412  7486.23  338.946  1076.53   24.047  1048.64   23.880 -0.000000 0.000000 
1 1 1   13    0   27 o  328.250   6.8895  732.210   30.579  722.458   42.750  742.429   43.759  326.012   9.6959  330.489   9.7903 -0.000000 0.000000 
1 1 1   13    0   28 o  412.891   7.8544  1158.54   43.874  1166.93   62.043  1150.15   62.052  414.394   11.066  411.388   11.149 -0.000000 0.000000 
1 1 1   13    0   29 o  332.784   6.9552  752.268   31.292  730.873   43.545  775.115   44.998  327.884   9.8201  337.685   9.8522 -0.000000 0.000000 
1 1 1   13    0   30 o  489.580   12.531  1629.04   83.016   0.0000   0.0000  1629.04   83.016  489.580   12.531  489.580   12.531 -0.000000 0.000000 
1 1 1   13    0   31 o  990.088   22.498  6677.78  301.499   0.0000   0.0000  6677.78  301.499  990.088   22.498  990.088   22.498 -0.000000 0.000000 
1 1 1   13    0   32 f  504.938   9.0424  1732.71   61.774  1707.44   86.420  1759.10   88.335  501.173   12.743  508.702   12.832 -0.000000 0.000000 
1 1 1   13    0   33 o  503.299   9.0283  1721.67   61.477  1695.37   86.001  1749.15   87.913  499.367   12.727  507.230   12.808 -0.000000 0.000000 
1 1 1   13    0   34 o  433.002   8.1506  1274.12   47.737  1247.13   66.622  1302.61   68.436  428.284   11.498  437.720   11.556 -0.000000 0.000000 
1 1 1   13    0   35 o  272.921   6.4404  506.763   23.757  502.650   33.328  511.012   33.874  271.796   9.0716  274.046   9.1445 -0.000000 0.000000 
1 1 1   13    0   36 o  563.232   9.8413  2158.04   75.007  2185.86  106.646  2130.81  105.514  566.832   13.903  559.631   13.933 -0.000000 0.000000 
1 1 1   13    0   37 o  667.710   15.930  3035.80  143.952  3035.80  143.952   0.0000   0.0000  667.710   15.930  667.710   15.930 -0.000000 0.000000 
1 1 1   13    0   38 o  373.761   10.564  950.282   53.410  950.282   53.410   0.0000   0.0000  373.761   10.564  373.761   10.564 -0.000000 0.000000 
1 1 1   13    0   39 o  342.975   7.1539  799.439   33.163  839.325   47.761  762.307   46.082  351.257   10.052  334.693   10.181 -0.000000 0.000000 
1 1 1   13    0   41 o  103.700   6.2855   74.570   8.6789   71.906   12.246   77.257   12.302  101.757   9.0453  105.643   8.7301 -0.000000 0.000000 
1 1 1   13    0   42 o  114.549   6.1374   90.575   9.3858   96.835   13.370   84.492   13.179  118.581   8.4178  110.517   8.9338 -0.000000 0.000000 
1 1 1   13    0   43 o  174.796   5.9743  208.767   14.072  215.212   19.979  202.423   19.823  177.509   8.3477  172.083   8.5488 -0.000000 0.000000 
1 1 1   13    0   44 o  688.909   11.628  3238.28  108.387  3165.66  151.063  3315.33  155.604  680.957   16.392  696.862   16.498 -0.000000 0.000000 
1 1 1   13    0   45 o  562.243   9.8888  2155.40   75.236  2138.04  105.854  2173.12  106.956  559.956   13.969  564.531   14.000 -0.000000 0.000000 
1 1 1   13    0   46 o  210.585   6.1399  301.870   17.409  333.248   25.232  273.363   24.050  221.097   8.4496  200.074   8.9106 -0.000000 0.000000 
1 1 1   13    0   47 o  145.494   6.0453  145.124   11.814  153.499   16.889  137.098   16.532  149.678   8.3867  141.309   8.7089 -0.000000 0.000000 
1 1 1   13    0   48 o  277.353   6.6141  523.716   24.777  497.516   34.484  551.677   35.624  270.149   9.4459  284.556   9.2606 -0.000000 0.000000 
1 1 1   13    0   49 o  271.204   9.3050  501.373   34.106   0.0000   0.0000  501.373   34.106  271.204   9.3050  271.204   9.3050 -0.000000 0.000000 
1 1 1   13    0   50 o  188.067   6.1687  241.356   15.629  256.070   22.590  227.847   21.646  193.605   8.6497  182.529   8.7976 -0.000000 0.000000 
1 1 1   13    0   51 o   49.412   11.526   21.300   6.8498   20.918   10.095   21.626   9.3246   48.385   16.983   50.439   15.587 -0.000000 0.000000 
1 1 1   13    0   52 o   85.428   7.7832   52.077   8.4953   59.388   12.217   45.232   11.821   91.833   10.132   79.023   11.817 -0.000000 0.000000 
1 1 1   13    0   54 f  254.439   6.5877  441.842   22.642  442.048   31.742  441.628   32.305  254.517   9.2307  254.362   9.4013 -0.000000 0.000000 
1 1 1   13    0   55 o  182.464   8.8853  227.878   21.851  227.878   21.851   0.0000   0.0000  182.464   8.8853  182.464   8.8853 -0.000000 0.000000 
1 1 1   13    0   56 o  139.170   6.5159  133.375   12.163  136.117   17.333  130.714   17.073  140.605   9.1868  137.736   9.2428 -0.000000 0.000000 
1 1 1   13    0   58 o   85.053   8.1575   52.224   8.7969   46.783   12.625   57.358   12.264   80.062   12.560   90.044   10.413 -0.000000 0.000000 
1 1 1   13    0   59 o  104.021   7.2622   75.804   10.005   75.300   14.288   76.288   14.014  103.624   10.416  104.419   10.122 -0.000000 0.000000 
1 1 1   13    0   62 o   78.114   9.5511   45.702   9.0292   40.002   13.073   50.900   12.486   72.155   15.188   84.072   11.586 -0.000000 0.000000 
1 1 1   13    0   63 o  151.867   6.7361  157.736   13.591  191.505   20.168  129.643   18.395  166.955   8.9733  136.780   10.049 -0.000000 0.000000 
1 1 1   13    0   64 o   54.127   11.843   26.476   8.2731   16.142   12.017   35.787   11.406   39.763   19.192   68.490   13.880 -0.000000 0.000000 
1 1 1   13    0   65 o   94.802   10.953   63.862   13.582   0.0000   0.0000   63.862   13.582   94.802   10.953   94.802   10.953 -0.000000 0.000000 
1 1 1   13    0   66 o   40.398   11.764   15.498   7.8689   4.3734   11.600   24.980   10.710   26.943   16.525   53.852   16.748 -0.000000 0.000000 
1 1 1   13    0   68 o   45.111   18.799   19.971   11.481   19.971   11.481   0.0000   0.0000   45.111   18.799   45.111   18.799 -0.000000 0.000000 
1 1 1   13    0   69 o   21.882   9.9831   0.0647   6.9239  -1.8798   9.9195   1.9121   9.6689   20.680   13.661   23.084   14.561 -0.000000 0.000000 
1 1 1   13    0   70 o   56.928   16.941   27.749   11.375   27.749   11.375   0.0000   0.0000   56.928   16.941   56.928   16.941 -0.000000 0.000000 
1 1 1   13    0   71 o   69.765   10.523   38.047   8.7357   38.002   12.146   38.095   12.574   69.938   14.529   69.592   15.226 -0.000000 0.000000 
1 1 1   13    0   72 o   74.645   10.708   44.318   8.9833   65.781   13.281   26.214   12.197   95.954   10.537   53.336   18.644 -0.000000 0.000000 
1 1 1   13    0   73 o   88.757   8.6171   57.589   9.6213   68.187   14.029   48.177   13.220   97.428   10.985   80.086   13.279 -0.000000 0.000000 
1 1 1   13    0   74 o   42.374   12.984   18.231   7.6962   20.270   11.375   16.509   10.452   44.869   18.713   39.880   18.004 -0.000000 0.000000 
1 1 1   13    0   75 o   73.322   10.181   41.767   8.9819   45.313   12.999   38.526   12.425   76.951   13.781   69.693   14.990 -0.000000 0.000000 
1 1 1   13    0   76 o   62.894   11.400   34.033   8.5393   22.797   11.938   45.804   12.219   47.761   19.054   78.027   12.524 -0.000000 0.000000 
1 1 1   13    0   77 o   18.579   8.9385  -5.1525   6.8898  -8.6253   9.5740  -1.4224   9.9225   16.564   11.575   20.594   13.623 -0.000000 0.000000 
1 1 1   13    0   78 o  115.087   7.7665   95.095   11.683   78.632   16.005  113.873   17.093  103.695   11.782  126.478   10.122 -0.000000 0.000000 
1 1 1   13    0   79 o  115.566   10.747   96.211   16.496   0.0000   0.0000   96.211   16.496  115.566   10.747  115.566   10.747 -0.000000 0.000000 
1 1 1   13    0   80 o   32.236   17.523   11.424   10.799   0.0000   0.0000   11.424   10.799   32.236   17.523   32.236   17.523 -0.000000 0.000000 
1 1 1   13    0   81 o   28.307   11.270   6.6374   7.5470  -2.5928   11.358   13.934   10.099   21.179   14.189   35.436   17.513 -0.000000 0.000000 
1 1 1   13    0   82 o   39.787   12.159   14.801   8.2117   28.351   12.322   3.9755   11.014   54.549   18.585   25.025   15.683 -0.000000 0.000000 
1 1 1   13    0   83 o   23.252   10.579  -0.6716   8.2012   7.4518   11.312  -9.6712   11.907   28.006   16.753   18.498   12.923 -0.000000 0.000000 
1 1 1   13    0   84 o   82.272   13.944   53.034   14.205   53.034   14.205   0.0000   0.0000   82.272   13.944   82.272   13.944 -0.000000 0.000000 
1 1 1   13    0   85 f   22.839   10.557   0.1027   8.2468   4.4034   11.264  -4.8667   12.108   25.189   15.817   20.489   13.988 -0.000000 0.000000 
1 1 1   13    0   86 o   22.935   10.534  -0.5908   8.1793  -8.0883   11.471   7.1645   11.666   18.438   12.836   27.431   16.705 -0.000000 0.000000 
1 1 1   13    0   87 o   23.113   10.736   0.9859   8.4766   0.9648   11.938   1.0072   12.038   23.062   15.150   23.163   15.215 -0.000000 0.000000 
1 1 1   13    0   88 o   35.092   12.348   11.405   9.0943  -3.1304   12.704   26.686   13.025   21.375   14.519   48.809   19.976 -0.000000 0.000000 
1 1 1   13    0   89 o   61.309   14.092   38.197   10.366   36.796   14.542   39.643   14.781   59.616   20.126   63.003   19.730 -0.000000 0.000000 
1 1 1   13    0   90 o   29.608   12.117   6.9143   9.3594   20.609   13.182  -7.0064   13.291   39.335   19.897   19.882   13.835 -0.000000 0.000000 
1 1 1   13    1    0 o  688.020   11.458  3213.97  106.831   0.0000   0.0000  3213.97  106.831  ?   ?   688.020   11.458      ?      ? 
1 1 1   13    1    1 o  946.080   10.768  6086.42  138.057  6067.77  195.296  6105.04  195.188  944.626   15.256  947.534   15.201 -2.908813 21.53671 
1 1 1   13    1    2 o  599.739   8.4002  2458.27   59.297  2410.11  117.438  2474.75   68.698  595.450   14.554  604.028   8.3927 -8.578186 16.80042 
1 1 1   13    1    3 f  226.891   5.1156  347.046   14.771  354.983   25.926  343.232   17.973  228.771   8.3627  225.012   5.8942 3.759384 10.23113 
1 1 1   13    1    4 o  458.356   6.8743  1436.06   37.033  1404.08   73.462  1446.96   42.881  454.751   11.921  461.961   6.8498 -7.209259 13.74861 
1 1 1   13    1    5 o  574.272   7.0007  2237.17   54.475  2205.91   76.398  2269.50   77.698  570.193   9.8873  578.351   9.9137 -8.158020 14.00143 
1 1 1   13    1    6 o  500.022   7.6899  1699.34   49.243  1704.73   60.508  1688.77   84.738  501.328   8.9065  498.716   12.538 2.611206 15.37973 
1 1 1   13    1    7 o  443.090   7.0481  1333.31   40.016  1336.16   49.184  1327.74   68.823  443.882   8.1767  442.297   11.482 1.584534 14.09626 
1 1 1   13    1    8 o  262.857   5.2773  469.708   17.829  472.398   22.005  464.566   30.420  263.984   6.1513  261.730   8.5767 2.253967 10.55454 
1 1 1   13    1    9 o  464.050   7.2412  1426.64   42.427  1370.38   50.930  1554.20   76.690  449.544   8.3603  478.556   11.826 -29.01187 14.48239 
1 1 1   13    1   10 o  667.403   11.158  3022.09  100.914  3022.09  100.914   0.0000   0.0000  667.403   11.158  ?   ?       ?      ? 
1 1 1   13    1   11 o  711.789   10.237  3446.19   93.124  3458.46  114.201  3421.83  160.878  713.936   11.804  709.642   16.729 4.293701 20.47433 
1 1 1   13    1   12 o  374.089   6.3666  941.762   30.224  928.794   36.655  969.305   53.419  370.146   7.3077  378.033   10.428 -7.886688 12.73327 
1 1 1   13    1   13 o  384.468   5.2655  1002.06   27.434  1001.52   38.811  1002.59   38.783  384.364   7.4512  384.572   7.4419 -0.2070923 10.53101 
1 1 1   13    1   14 o  781.230   12.771  4141.28  135.206  4141.28  135.206   0.0000   0.0000  781.230   12.771  ?   ?       ?      ? 
1 1 1   13    1   15 f  539.733   6.6579  1972.80   48.665  1900.59   67.385  2051.52   70.357  529.424   9.3924  550.041   9.4390 -20.61713 13.31585 
1 1 1   13    1   16 o  682.125   8.0456  3155.86   74.368  3125.82  104.550  3186.61  105.806  678.842   11.365  685.409   11.391 -6.567444 16.09125 
1 1 1   13    1   17 o  641.609   7.6362  2792.02   66.394  2794.14   93.908  2789.90   93.884  641.853   10.796  641.366   10.802 0.4871216 15.27240 
1 1 1   13    1   18 o  712.393   11.808  3442.71  113.994  3442.71  113.994   0.0000   0.0000  712.393   11.808  ?   ?       ?      ? 
1 1 1   13    1   19 o  715.741   8.3786  3475.19   81.266  3470.93  114.846  3479.46  115.009  715.301   11.848  716.180   11.850 -0.8786011 16.75719 
1 1 1   13    1   20 o  780.171   11.056  4125.61  110.112  4154.22  191.319  4111.44  134.648  781.917   18.056  778.425   12.764 3.492126 22.11192 
1 1 1   13    1   21 f  707.587   10.182  3427.50   92.651  3305.82  156.855  3492.71  114.823  697.648   16.591  717.526   11.809 -19.87842 20.36466 
1 1 1   13    1   22 o  674.191   7.9630  3083.21   72.749  3063.21  102.460  3103.54  103.312  671.987   11.251  676.394   11.271 -4.407410 15.92590 
1 1 1   13    1   23 o  569.272   6.9428  2196.19   53.539  2135.38   74.488  2261.17   77.007  561.128   9.7958  577.416   9.8414 -16.28766 13.88569 
1 1 1   13    1   24 o  841.118   9.6512  4802.05  109.999  4749.75  154.389  4855.97  156.762  836.471   13.620  845.766   13.677 -9.294922 19.30242 
1 1 1   13    1   25 o  806.122   9.2951  4409.07  101.513  4316.92  141.585  4506.55  145.622  797.463   13.102  814.780   13.189 -17.31677 18.59016 
1 1 1   13    1   26 o  314.253   4.7503  669.378   20.227  682.530   28.786  656.549   28.429  317.303   6.6946  311.204   6.7412 6.098907 9.500606 
1 1 1   13    1   27 f  778.026   11.046  4100.63  109.537  4151.99  191.157  4075.52  133.656  781.256   18.056  774.797   12.730 6.458618 22.09196 
1 1 1   13    1   28 o  676.498   9.8211  3121.14   85.125  3070.05  145.949  3147.47  104.797  672.006   16.027  680.991   11.356 -8.984741 19.64213 
1 1 1   13    1   29 o  580.576   7.0701  2286.86   55.623  2270.73   78.281  2303.31   79.049  578.509   9.9854  582.642   10.012 -4.133362 14.14014 
1 1 1   13    1   30 o  444.301   5.8441  1330.57   35.077  1224.33   47.459  1458.48   52.075  424.876   8.2427  463.726   8.2867 -38.84998 11.68814 
1 1 1   13    1   31 o  326.006   4.8643  720.286   21.484  702.953   29.993  738.553   30.790  321.980   6.8739  330.032   6.8844 -8.052094 9.728608 
1 1 1   13    1   32 o  322.356   4.8517  703.150   21.168  752.538   30.685  658.308   29.239  333.135   6.7971  311.577   6.9249 21.55878 9.703348 
1 1 1   13    1   33 f  445.066   7.1969  1351.15   40.889  1364.22   50.165  1325.27   70.579  448.432   8.2550  441.701   11.791 6.731323 14.39376 
1 1 1   13    1   34 o  368.329   7.3378  920.214   36.625  920.214   36.625   0.0000   0.0000  368.329   7.3378  ?   ?       ?      ? 
1 1 1   13    1   35 o  323.520   5.9418  710.943   24.583  712.326   30.153  708.203   42.451  324.071   6.8660  322.967   9.6995 1.103973 11.88369 
1 1 1   13    1   36 o  496.037   8.9140  1670.32   59.920  1670.32   59.920   0.0000   0.0000  496.037   8.9140  ?   ?       ?      ? 
1 1 1   13    1   37 o  567.949   6.9907  2190.88   53.800  2217.96   76.610  2164.53   75.570  571.410   9.8936  564.487   9.8790 6.922974 13.98136 
1 1 1   13    1   38 o  414.222   5.5986  1164.61   31.426  1159.48   44.289  1169.81   44.598  413.304   7.9077  415.139   7.9276 -1.835052 11.19722 
1 1 1   13    1   39 o  329.517   6.9879  736.821   31.204  736.821   31.204   0.0000   0.0000  329.517   6.9879  ?   ?       ?      ? 
1 1 1   13    1   40 o  373.784   6.4245  922.265   30.361  1023.76   54.948  877.659   36.427  388.001   10.450  359.569   7.4758 28.43204 12.84909 
1 1 1   13    1   41 o  417.273   5.6441  1182.40   31.914  1194.44   45.314  1170.55   44.955  419.381   7.9734  415.165   7.9904 4.215668 11.28815 
1 1 1   13    1   42 o  210.788   4.2661  301.473   12.186  300.862   17.182  302.092   17.285  210.573   6.0212  211.003   6.0450 -0.4291534 8.532109 
1 1 1   13    1   43 o  382.945   5.3746  995.378   27.882  1027.10   39.992  965.376   38.894  388.880   7.5888  377.011   7.6129 11.86832 10.74922 
1 1 1   13    1   44 o  349.448   5.1373  829.009   24.323  809.989   34.027  848.881   34.781  345.350   7.2708  353.546   7.2595 -8.195374 10.27451 
1 1 1   13    1   45 o  283.796   4.6777  546.838   17.989  551.010   25.437  542.665   25.443  284.881   6.5891  282.711   6.6412 2.169952 9.355348 
1 1 1   13    1   46 o  319.701   5.9740  686.208   24.357  720.794   42.826  669.670   29.614  325.399   9.7119  314.003   6.9595 11.39615 11.94803 
1 1 1   13    1   47 o  248.187   5.5473  429.035   17.680  384.572   29.387  454.257   22.133  237.719   9.1224  258.654   6.3146 -20.93518 11.09467 
1 1 1   13    1   48 o  156.863   4.2406  167.017   9.0133  164.097   12.637  170.042   12.860  155.467   5.9980  158.258   5.9963 -2.791077 8.481239 
1 1 1   13    1   49 o  231.859   4.4177  364.860   13.876  354.324   19.351  376.011   19.909  228.415   6.2517  235.302   6.2435 -6.887039 8.835486 
1 1 1   13    1   50 o  311.001   4.9105  657.008   20.688  682.985   29.581  632.139   28.943  317.023   6.8855  304.979   7.0031 12.04419 9.821086 
1 1 1   13    1   51 o  248.124   9.1796  419.448   30.866   0.0000   0.0000  419.448   30.866  ?   ?   248.124   9.1796      ?      ? 
1 1 1   13    1   52 o  189.659   6.1162  244.353   15.719  244.353   15.719   0.0000   0.0000  189.659   6.1162  ?   ?       ?      ? 
1 1 1   13    1   53 f  225.025   5.4343  344.310   15.606  343.820   19.091  345.298   27.096  224.944   6.2629  225.105   8.8826 -0.1612854 10.86852 
1 1 1   13    1   54 o  127.365   4.4965  110.275   7.7583  113.334   10.964  107.207   10.980  129.140   6.2650  125.589   6.4515 3.550331 8.992910 
1 1 1   13    1   55 o  256.885   6.5297  448.636   22.731  448.636   22.731   0.0000   0.0000  256.885   6.5297  ?   ?       ?      ? 
1 1 1   13    1   56 o  161.824   4.5244  177.758   9.9053  192.826   14.293  163.833   13.740  168.424   6.2624  155.224   6.5318 13.19965 9.048892 
1 1 1   13    1   57 o  181.830   5.5151  229.232   12.763  213.088   21.829  237.617   15.733  176.705   9.1162  186.956   6.2098 -10.25137 11.03025 
1 1 1   13    1   58 o  112.085   4.8163   85.484   7.3048   79.462   10.241   91.721   10.422  108.053   6.9939  116.117   6.6236 -8.062958 9.632583 
1 1 1   13    1   59 f  257.738   4.6932  452.012   16.392  454.135   23.237  449.909   23.127  258.341   6.6375  257.136   6.6369 1.204559 9.386389 
1 1 1   13    1   60 o  178.942   4.5307  217.721   10.976  231.273   15.739  204.890   15.315  184.372   6.2995  173.512   6.5135 10.85938 9.061423 
1 1 1   13    1   61 o  179.488   4.5379  219.181   11.031  209.015   15.426  229.822   15.781  175.220   6.4966  183.756   6.3375 -8.535706 9.075784 
1 1 1   13    1   62 o  151.987   4.6682  157.428   9.6023  147.482   13.521  167.549   13.639  147.119   6.7820  156.855   6.4166 -9.736099 9.336394 
1 1 1   13    1   63 o  115.667   6.9755   91.862   10.921   86.223   15.347   97.646   15.544  112.033   10.109  119.301   9.6147 -7.268242 13.95098 
1 1 1   13    1   64 o  112.223   6.4446   88.888   9.1608   78.976   15.588   94.118   11.322  107.034   10.747  117.411   7.1162 -10.37691 12.88921 
1 1 1   13    1   65 o  185.512   6.4837  234.827   16.300   0.0000   0.0000  234.827   16.300  ?   ?   185.512   6.4837      ?      ? 
1 1 1   13    1   66 o  122.502   4.9311  102.725   8.1747  108.157   11.510   97.197   11.612  125.808   6.7513  119.196   7.1890 6.611748 9.862121 
1 1 1   13    1   67 o  142.429   6.1592  147.070   10.893  161.439   13.414  119.250   18.665  153.694   6.4404  131.164   10.501 22.53014 12.31844 
1 1 1   13    1   68 o   59.798   8.9183   25.020   6.6251   23.247   8.0082   28.866   11.793   56.937   10.774   62.659   14.215 -5.722481 17.83660 
1 1 1   13    1   69 o   83.384   5.7513   47.926   6.4982   48.299   9.1551   47.548   9.2249   83.722   8.0694   83.046   8.1971 0.6755676 11.50251 
1 1 1   13    1   70 o   84.874   6.9014   48.985   7.5891   54.199   13.032   46.309   9.3355   87.917   10.938   81.830   8.4187 6.087418 13.80275 
1 1 1   13    1   71 o   81.170   7.0952   45.416   7.4829   43.738   9.2721   48.551   12.672   79.389   8.6185   82.950   11.273 -3.560493 14.19035 
1 1 1   13    1   72 o  111.370   6.3091   85.534   9.0050   89.386   15.623   83.618   11.020  112.737   10.226  110.003   7.3925 2.733330 12.61821 
1 1 1   13    1   73 o  221.687   6.7998  339.212   20.428   0.0000   0.0000  339.212   20.428  ?   ?   221.687   6.7998      ?      ? 
1 1 1   13    1   74 o  101.920   5.3869   72.185   7.4386   70.355   10.403   74.099   10.640  100.594   7.6314  103.246   7.6050 -2.651512 10.77383 
1 1 1   13    1   75 o  110.560   5.2333   85.442   7.7173  104.719   11.096   67.380   10.741  122.974   6.6584   98.146   8.0755 24.82726 10.46656 
1 1 1   13    1   76 o   95.070   5.5317   63.325   7.1215   65.629   10.031   60.984   10.112   96.886   7.6401   93.255   8.0018 3.631340 11.06343 
1 1 1   13    1   77 o   51.178   9.3715   20.915   6.4620   17.091   10.971   22.947   7.9963   46.940   15.149   55.415   11.036 -8.474487 18.74291 
1 1 1   13    1   78 o   57.323   9.2803   24.988   6.7901   27.234   11.581   23.811   8.3822   58.475   14.646   56.171   11.401 2.304691 18.56050 
1 1 1   13    1   79 o   41.292   8.9724   12.865   5.6366   9.2705   7.8874   16.618   8.0581   36.303   12.838   46.281   12.538 -9.978550 17.94473 
1 1 1   13    1   80 o   76.505   6.4461   42.031   6.6736   39.296   9.3712   44.846   9.5062   73.862   9.3625   79.149   8.8629 -5.287651 12.89216 
1 1 1   13    1   81 f   74.840   9.1099   48.032   7.9660   57.150   9.8140   30.422   13.638   89.645   8.0786   60.035   16.331 29.61058 18.21975 
1 1 1   13    1   82 o   96.887   7.7702   74.826   9.0552   84.844   11.140   55.318   15.546  109.454   7.5106   84.319   13.605 25.13528 15.54042 
1 1 1   13    1   83 o   35.861   9.2146   9.1744   5.7864   8.7619   8.0397   9.6178   8.3346   35.272   12.899   36.450   13.163 -1.177933 18.42924 
1 1 1   13    1   84 o   65.043   7.7016   32.091   6.6367   34.231   9.4689   30.025   9.3047   67.844   10.299   62.243   11.453 5.601097 15.40313 
1 1 1   13    1   85 o   65.846   9.4624   35.116   7.8133   34.807   13.579   35.268   9.5532   63.073   15.893   68.619   10.274 -5.545547 18.92481 
1 1 1   13    1   86 o   57.845   8.8424   27.226   6.7304   28.410   9.4679   26.016   9.5693   59.409   12.170   56.280   12.832 3.129028 17.68487 
1 1 1   13    1   87 o   34.638   9.3975   8.6384   6.2408   6.5828   8.8341   10.686   8.8176   32.493   13.077   36.783   13.500 -4.290100 18.79507 
1 1 1   13    1   88 o   41.935   9.8515   15.388   6.6216   18.137   9.3514   12.624   9.3772   45.258   13.905   38.612   13.959 6.645767 19.70292 
1 1 1   13    1   89 o   50.482   9.2902   22.645   6.8668   13.318   9.6346   32.275   9.7895   38.835   14.133   62.129   12.062 -23.29374 18.58035 
1 1 1   13    1   90 o   56.020   10.970   30.909   8.4120   31.382   14.547   30.672   10.311   53.421   17.459   58.618   13.287 -5.196857 21.93971 
1 1 1   13    2    0 o  348.911   4.9999  825.471   23.640  832.184   33.493  818.805   33.373  350.325   7.0550  347.496   7.0869 2.828674 9.999884 
1 1 1   13    2    1 o  175.008   4.6814  210.654   9.4400  201.967   19.188  213.427   10.843  172.564   8.2056  177.453   4.5090 -4.889557 9.362822 
1 1 1   13    2    2 o  390.432   6.1988  1034.84   28.252  1032.35   56.910  1035.65   32.546  390.011   10.768  390.853   6.1446 -0.8421631 12.39768 
1 1 1   13    2    3 o  259.609   5.0542  453.690   15.228  463.374   31.122  450.642   17.461  261.371   8.7868  257.848   4.9971 3.522491 10.10837 
1 1 1   13    2    4 o  724.871   9.7774  3564.76   96.043   0.0000   0.0000  3564.76   96.043  ?   ?   724.871   9.7774      ?      ? 
1 1 1   13    2    5 o  903.031   14.515  5540.35  177.623   0.0000   0.0000  5540.35  177.623  ?   ?   903.031   14.515      ?      ? 
1 1 1   13    2    6 o  535.574   8.1814  1971.78   56.225  1867.16   95.140  2027.93   69.698  524.367   13.389  546.781   9.4064 -22.41388 16.36284 
1 1 1   13    2    7 o  431.460   5.6782  1262.06   33.197  1282.44   47.323  1242.33   46.581  434.888   8.0299  428.033   8.0306 6.854462 11.35647 
1 1 1   13    2    8 o  909.467   10.351  5617.65  127.568  5604.70  180.091  5630.70  180.726  908.416   14.629  910.519   14.647 -2.102295 20.70152 
1 1 1   13    2    9 o  505.678   6.3477  1733.78   43.495  1760.11   61.975  1708.23   61.057  509.461   8.9769  501.896   8.9771 7.565308 12.69538 
1 1 1   13    2   10 o  241.771   4.2113  396.195   13.797  399.696   19.552  392.722   19.473  242.836   5.9414  240.707   5.9700 2.128387 8.422606 
1 1 1   13    2   11 o  451.512   5.8464  1382.08   35.770  1367.97   50.318  1396.49   50.860  449.183   8.2665  453.841   8.2697 -4.657990 11.69283 
1 1 1   13    2   12 o  331.972   4.8446  747.029   21.794  744.482   30.769  749.593   30.875  331.405   6.8512  332.540   6.8514 -1.135559 9.689236 
1 1 1   13    2   13 o  777.487   8.9976  4101.00   94.791  4051.68  133.024  4151.89  135.111  772.740   12.703  782.234   12.746 -9.493835 17.99526 
1 1 1   13    2   14 o  636.120   7.5943  2744.47   65.465  2741.73   92.465  2747.22   92.698  635.802   10.732  636.437   10.748 -0.6354980 15.18861 
1 1 1   13    2   15 o  561.745   6.8688  2138.40   52.270  2083.74   72.776  2196.65   75.122  554.336   9.6879  569.154   9.7399 -14.81757 13.73760 
1 1 1   13    2   16 o  664.716   9.6825  3002.51   82.095  3010.38  100.457  2986.68  142.444  666.207   11.127  663.224   15.849 2.982178 19.36507 
1 1 1   13    2   17 o  509.081   7.8339  1727.65   50.227  1678.47   60.304  1839.02   90.756  497.549   8.9439  520.614   12.864 -23.06564 15.66770 
1 1 1   13    2   18 f  712.479   8.3408  3442.58   80.519  3503.15  115.060  3384.46  112.719  718.617   11.815  706.341   11.776 12.27606 16.68162 
1 1 1   13    2   19 o  648.573   7.7218  2852.88   67.865  2880.57   96.451  2825.72   95.508  651.691   10.921  645.456   10.919 6.234985 15.44367 
1 1 1   13    2   20 o  453.443   5.8700  1393.94   36.069  1385.62   50.791  1402.39   51.230  452.080   8.2907  454.806   8.3122 -2.725952 11.73999 
1 1 1   13    2   21 o  549.890   6.7588  2050.04   50.359  2085.98   71.861  2015.36   70.593  554.624   9.5612  545.156   9.5556 9.468201 13.51760 
1 1 1   13    2   22 o  631.034   7.5505  2699.58   64.550  2636.70   90.035  2766.09   92.593  623.478   10.656  638.589   10.700 -15.11145 15.10105 
1 1 1   13    2   23 o  642.556   9.3886  2812.40   77.377  2771.42  132.446  2833.63   95.340  638.805   15.300  646.307   10.886 -7.501770 18.77715 
1 1 1   13    2   24 o  383.606   7.4894  997.656   38.933   0.0000   0.0000  997.656   38.933  ?   ?   383.606   7.4894      ?      ? 
1 1 1   13    2   25 o  582.094   7.1046  2296.38   56.017  2228.61   77.805  2369.31   80.714  573.188   10.017  591.001   10.078 -17.81299 14.20927 
1 1 1   13    2   26 o  500.427   6.3148  1698.00   42.818  1672.65   59.947  1724.40   61.179  496.617   8.9076  504.238   8.9534 -7.620972 12.62966 
1 1 1   13    2   27 o  554.069   6.8192  2082.32   51.199  2110.16   72.813  2055.09   72.005  557.732   9.6339  550.405   9.6538 7.327148 13.63845 
1 1 1   13    2   28 o  314.596   6.8036  671.012   29.005   0.0000   0.0000  671.012   29.005  ?   ?   314.596   6.8036      ?      ? 
1 1 1   13    2   29 f  400.231   5.4471  1085.18   29.527  1134.01   42.484  1039.55   41.067  408.933   7.6663  391.529   7.7401 17.40421 10.89414 
1 1 1   13    2   30 o  599.033   7.2626  2435.23   58.956  2441.27   83.359  2429.18   83.393  599.778   10.256  598.289   10.286 1.488892 14.52525 
1 1 1   13    2   31 o  542.234   8.1931  1974.63   56.439  1935.02   68.424  2058.94   99.830  534.015   9.4553  550.452   13.383 -16.43665 16.38627 
1 1 1   13    2   32 o  212.235   5.0536  303.506   13.712  299.625   16.753  311.382   23.866  210.223   5.8807  214.247   8.2203 -4.023193 10.10723 
1 1 1   13    2   33 o  689.315   8.1666  3215.85   76.142  3436.57  111.868  3025.35  103.930  711.261   11.606  667.369   11.492 43.89258 16.33316 
1 1 1   13    2   34 o  440.495   5.8244  1307.97   34.653  1200.98   46.828  1437.50   51.522  420.714   8.2136  460.276   8.2603 -39.56253 11.64886 
1 1 1   13    2   35 o  159.200   5.8597  171.861   12.641   0.0000   0.0000  171.861   12.641  ?   ?   159.200   5.8597      ?      ? 
1 1 1   13    2   36 o  333.042   6.1170  754.246   25.868  756.705   31.523  749.175   45.265  333.983   6.9650  332.100   10.058 1.883087 12.23403 
1 1 1   13    2   37 o  343.110   6.2497  808.764   27.323  827.935   33.588  771.261   46.979  349.321   7.0954  336.899   10.290 12.42181 12.49930 
1 1 1   13    2   38 f  262.216   4.5053  465.986   15.990  499.453   22.974  434.547   22.268  271.344   6.2479  253.088   6.4926 18.25620 9.010598 
1 1 1   13    2   39 o  477.106   6.1662  1544.88   39.850  1503.42   55.379  1589.40   57.387  470.478   8.6861  483.735   8.7544 -13.25635 12.33241 
1 1 1   13    2   40 o  284.366   4.6435  548.351   17.888  533.986   24.900  563.668   25.713  280.522   6.5502  288.211   6.5835 -7.689026 9.287010 
1 1 1   13    2   41 o  355.938   5.1600  860.058   24.887  854.878   34.955  865.383   35.442  354.854   7.2691  357.022   7.3256 -2.168091 10.32008 
1 1 1   13    2   42 o  432.259   7.1049  1273.64   39.326  1263.26   67.639  1278.95   48.336  430.639   11.590  433.878   8.2208 -3.238800 14.20985 
1 1 1   13    2   43 o   60.704   8.4179   25.043   6.9248   0.0000   0.0000   25.043   6.9248  ?   ?    60.704   8.4179      ?      ? 
1 1 1   13    2   44 o  337.522   6.1026  759.028   26.237  819.414   46.524  730.868   31.771  346.992   9.8940  328.053   7.1466 18.93924 12.20512 
1 1 1   13    2   45 o  246.177   4.4473  411.446   14.835  415.841   20.908  406.991   21.051  247.505   6.2337  244.849   6.3445 2.655914 8.894506 
1 1 1   13    2   46 o  150.728   4.1970  154.279   8.5676  156.573   11.967  151.867   12.272  151.883   5.8142  149.572   6.0544 2.310898 8.394088 
1 1 1   13    2   47 o  221.777   4.3639  333.988   13.111  344.307   18.574  323.741   18.510  225.198   6.0863  218.356   6.2554 6.841431 8.727725 
1 1 1   13    2   48 o  220.253   6.2381  329.426   18.619   0.0000   0.0000  329.426   18.619  ?   ?   220.253   6.2381      ?      ? 
1 1 1   13    2   49 o  310.783   4.8982  656.076   20.621  682.489   29.449  630.667   28.884  316.926   6.8569  304.639   6.9966 12.28748 9.796366 
1 1 1   13    2   50 o  236.357   5.4606  380.569   16.455  381.787   20.131  378.117   28.563  237.080   6.2658  235.634   8.9450 1.445602 10.92127 
1 1 1   13    2   51 o  221.917   6.2124  334.541   18.682  334.541   18.682   0.0000   0.0000  221.917   6.2124  ?   ?       ?      ? 
1 1 1   13    2   52 o  261.833   4.6258  465.950   16.411  468.711   23.063  463.118   23.357  262.626   6.4804  261.040   6.6029 1.586212 9.251688 
1 1 1   13    2   53 o  395.993   11.275  1072.43   60.506   0.0000   0.0000  1072.43   60.506  ?   ?   395.993   11.275      ?      ? 
1 1 1   13    2   54 o  200.762   5.5181  275.486   14.016  277.516   17.044  271.246   24.632  202.079   6.2240  199.445   9.1137 2.634476 11.03621 
1 1 1   13    2   55 o  174.362   4.4859  206.664   10.592  216.900   15.069  196.668   14.891  178.640   6.2250  170.084   6.4608 8.555649 8.971776 
1 1 1   13    2   56 o  471.400   6.2488  1515.41   39.916  1537.42   56.743  1493.84   56.159  474.795   8.8192  468.004   8.8550 6.790527 12.49754 
1 1 1   13    2   57 o  326.784   5.1153  725.933   22.633  769.941   32.619  685.077   31.429  336.338   7.1566  317.230   7.3109 19.10785 10.23069 
1 1 1   13    2   58 o  254.533   5.7851  444.720   18.802  432.549   32.349  450.928   23.105  251.614   9.4874  257.451   6.6225 -5.837219 11.57013 
1 1 1   13    2   59 o  120.671   9.6671   99.576   15.808   99.576   15.808   0.0000   0.0000  120.671   9.6671  ?   ?       ?      ? 
1 1 1   13    2   60 o   83.477   11.519   47.883   13.031   0.0000   0.0000   47.883   13.031  ?   ?    83.477   11.519      ?      ? 
1 1 1   13    2   61 o  177.461   6.4606  214.412   15.537   0.0000   0.0000  214.412   15.537  ?   ?   177.461   6.4606      ?      ? 
1 1 1   13    2   63 o  160.193   6.5088  174.908   14.129  174.908   14.129   0.0000   0.0000  160.193   6.5088  ?   ?       ?      ? 
1 1 1   13    2   64 f  175.266   4.5822  209.477   10.877  218.734   15.484  200.457   15.284  179.106   6.3795  171.425   6.5794 7.680695 9.164397 
1 1 1   13    2   65 o  120.332   4.8962   98.940   7.9820  101.539   11.295   96.346   11.282  121.924   6.8360  118.741   7.0114 3.183159 9.792356 
1 1 1   13    2   66 o   51.081   9.4330   19.194   6.4315   20.243   7.9503   17.207   10.940   53.032   11.402   49.130   15.031 3.901340 18.86608 
1 1 1   13    2   67 o  153.931   4.7070  162.022   9.8167  158.944   13.722  165.249   14.050  152.437   6.6426  155.425   6.6707 -2.987549 9.413911 
1 1 1   13    2   68 o  106.294   5.2852   77.439   7.5937   70.064   10.514   85.483   10.980  100.973   7.6836  111.616   7.2591 -10.64249 10.57032 
1 1 1   13    2   69 o  137.402   5.9020  127.868   10.307  123.440   12.470  137.418   18.312  134.128   6.8605  140.676   9.6055 -6.548584 11.80392 
1 1 1   13    2   70 o   78.624   5.9799   42.795   6.3699   43.266   8.9458   42.310   9.0723   79.084   8.3473   78.164   8.5650 0.9207458 11.95980 
1 1 1   13    2   71 o   30.667   8.4885   4.2645   5.1479   5.4919   7.2951   3.0470   7.2654   32.053   12.173   29.282   11.833 2.771904 16.97696 
1 1 1   13    2   72 o   98.862   5.4524   67.980   7.2063   54.639   10.051   82.093   10.338   88.646   8.3668  109.079   6.9936 -20.43244 10.90475 
1 1 1   13    2   73 o  143.225   6.9077  141.749   13.407   0.0000   0.0000  141.749   13.407  ?   ?   143.225   6.9077      ?      ? 
1 1 1   13    2   74 o   32.768   13.645   3.1043   10.037   0.0000   0.0000   3.1043   10.037  ?   ?    32.768   13.645      ?      ? 
1 1 1   13    2   75 o   78.091   12.468   44.592   13.194   44.592   13.194   0.0000   0.0000   78.091   12.468  ?   ?       ?      ? 
1 1 1   13    2   76 o  101.943   6.7159   73.334   8.6935   75.782   15.281   72.163   10.571  102.344   11.018  101.541   7.6823 0.8037491 13.43185 
1 1 1   13    2   77 o  107.433   5.2930   80.876   7.7004   81.502   10.719   80.207   11.070  107.936   7.3281  106.929   7.6393 1.006882 10.58590 
1 1 1   13    2   78 f   39.480   8.8712   11.232   5.4527   7.5925   7.3550   15.673   8.1251   33.920   12.347   45.040   12.741 -11.12029 17.74242 
1 1 1   13    2   79 f   88.907   5.9062   55.988   7.0351   45.548   9.6672   67.740   10.257   79.822   8.9371   97.993   7.7242 -18.17146 11.81245 
1 1 1   13    2   80 o  115.273   6.4589   94.487   9.5932   92.199   11.819   98.906   16.423  114.247   7.6341  116.300   10.421 -2.052551 12.91785 
1 1 1   13    2   81 o   64.292   7.6557   31.279   6.3581   23.363   8.9622   39.300   9.0214   54.697   12.380   73.887   9.0099 -19.19044 15.31140 
1 1 1   13    2   82 o   29.638   8.3872   2.6412   5.5154  -3.3758   7.7041   8.9671   7.8994   23.724   10.820   35.551   12.818 -11.82719 16.77437 
1 1 1   13    2   83 o   34.920   9.8635   7.1557   6.8061   7.3128   8.3633   6.8477   11.712   33.803   12.987   36.037   14.849 -2.233906 19.72697 
1 1 1   13    2   84 o   44.255   8.6217   14.993   6.0518   5.1112   8.4281   25.511   8.6951   31.418   12.728   57.093   11.633 -25.67490 17.24346 
1 1 1   13    2   85 o   63.586   8.1999   31.875   6.7859   40.462   9.6444   23.455   9.5498   73.858   9.6360   53.314   13.270 20.54322 16.39982 
1 1 1   13    2   86 o   31.239   8.8343   4.4179   6.0366  -1.5114   8.4768   10.519   8.5986   25.675   11.565   36.802   13.357 -11.12649 17.66852 
1 1 1   13    2   87 o   56.840   10.576   28.921   8.0557   28.616   13.684   29.082   9.9655   54.595   16.828   59.085   12.815 -4.489799 21.15230 
1 1 1   13    2   88 o   42.484   9.6066   16.474   7.6512  -0.1146   13.137   24.990   9.4124   30.986   14.131   53.982   13.018 -22.99618 19.21315 
1 1 1   13    2   89 o   31.133   9.3165   4.8298   7.1525  -3.6110   12.147   9.3098   8.8494   27.937   13.037   34.330   13.313 -6.392277 18.63291 
1 1 1   13    2   90 o   36.013   10.308   10.171   7.4418   15.850   12.857   7.3096   9.1260   40.019   15.887   32.007   13.138 8.011971 20.61569 
1 1 1   13    3    1 o  280.806   4.5038  534.557   17.138  535.209   24.215  533.903   24.259  280.977   6.3597  280.634   6.3789 0.3435364 9.007567 
1 1 1   13    3    2 o  596.097   7.2129  2408.44   58.236  2492.22   83.941  2330.69   80.862  606.081   10.220  586.113   10.181 19.96765 14.42570 
1 1 1   13    3    3 o  546.247   7.8194  2023.09   49.838  2028.11  100.575  2021.45   57.378  546.489   13.581  546.004   7.7547 0.4844971 15.63879 
1 1 1   13    3    4 o  480.062   7.1161  1564.72   39.842  1560.73   80.361  1566.02   45.877  479.512   12.367  480.613   7.0440 -1.101288 14.23227 
1 1 1   13    3    5 f  702.403   9.5865  3383.52   79.330  3281.30  156.453  3418.90   92.039  694.828   16.616  709.977   9.5663 -15.14948 19.17295 
1 1 1   13    3    6 o  751.799   10.149  3866.72   89.779  3780.15  177.763  3896.36  104.021  745.693   17.591  757.905   10.128 -12.21173 20.29851 
1 1 1   13    3    7 o  811.637   10.843  4492.26  103.368  4437.83  205.756  4510.63  119.550  807.849   18.795  815.425   10.819 -7.576477 21.68630 
1 1 1   13    3    8 o  1223.51   15.819 10238.36  227.799 10099.36  451.641 10285.78  263.815  1216.44   27.398  1230.59   15.820 -14.15454 31.63742 
1 1 1   13    3    9 o  889.610   12.408  5303.14  139.616  5584.47  249.608  5175.04  168.428  906.107   20.328  873.113   14.235 32.99402 24.81668 
1 1 1   13    3   10 o  519.550   9.0972  1814.38   63.746  1636.59   85.421  2037.81   95.763  491.101   12.835  548.000   12.895 -56.89816 18.19449 
1 1 1   13    3   11 o  495.519   8.8411  1664.84   59.367  1664.84   59.367   0.0000   0.0000  495.519   8.8411  ?   ?       ?      ? 
1 1 1   13    3   12 o  928.467   10.540  5852.15  132.619  5849.52  187.485  5854.78  187.619  928.258   14.904  928.676   14.908 -0.4170532 21.08082 
1 1 1   13    3   13 o  756.730   8.7864  3884.97   90.100  3862.20  126.942  3908.08  127.905  754.497   12.415  758.963   12.436 -4.466309 17.57272 
1 1 1   13    3   14 o  314.147   4.7101  668.786   20.049  685.349   28.567  652.710   28.144  317.979   6.6295  310.315   6.6926 7.665070 9.420251 
1 1 1   13    3   15 o  365.109   5.1104  903.026   25.276  877.856   35.219  929.761   36.298  359.866   7.2219  370.352   7.2324 -10.48608 10.22071 
1 1 1   13    3   16 o  390.681   5.3319  1033.51   28.213  996.696   39.132  1073.37   40.713  383.444   7.5309  397.918   7.5501 -14.47427 10.66388 
1 1 1   13    3   17 o  696.613   10.005  3292.20   89.161  3297.94  154.065  3289.31  109.330  696.875   16.314  696.352   11.586 0.5227051 20.00965 
1 1 1   13    3   18 o  889.570   12.421  5392.91  141.646  5324.01  242.812  5428.46  174.395  884.860   20.249  894.280   14.391 -9.419922 24.84207 
1 1 1   13    3   19 o  641.013   9.3255  2779.10   76.354  2816.23  132.729  2760.73   93.346  644.039   15.208  637.986   10.797 6.053833 18.65092 
1 1 1   13    3   20 o  774.955   11.095  4148.37  111.041  4325.79  139.212  3838.05  184.107  798.411   12.867  751.498   18.078 46.91284 22.18969 
1 1 1   13    3   21 o  697.125   10.061  3222.45   87.901  3104.52  104.920  3500.08  160.991  676.469   11.445  717.781   16.551 -41.31201 20.12300 
1 1 1   13    3   22 o  777.584   9.0130  4097.23   94.897  4270.85  137.567  3939.60  131.077  793.271   12.797  761.897   12.695 31.37378 18.02610 
1 1 1   13    3   23 o  514.410   6.4471  1794.11   44.937  1829.14   64.119  1760.31   62.997  519.343   9.1106  509.477   9.1246 9.865631 12.89428 
1 1 1   13    3   24 o  765.188   8.8890  3970.04   92.119  3848.29  127.637  4102.41  133.085  752.964   12.509  777.413   12.633 -24.44891 17.77803 
1 1 1   13    3   25 o  469.599   6.0466  1495.52   38.478  1502.41   54.382  1488.62   54.450  470.683   8.5260  468.515   8.5762 2.167938 12.09314 
1 1 1   13    3   26 o  421.880   6.9709  1228.10   37.907  1138.17   63.154  1278.74   47.394  409.514   11.380  434.245   8.0538 -24.73093 13.94175 
1 1 1   13    3   27 o  799.825   13.097  4335.38  141.610  4641.16  209.307  4077.27  192.305  825.681   18.706  773.969   18.335 51.71149 26.19362 
1 1 1   13    3   28 o  855.826   11.995  4847.51  128.532  4642.90  153.136  5335.28  236.439  826.701   13.669  884.950   19.716 -58.24933 23.99101 
1 1 1   13    3   29 o  504.475   6.3709  1726.38   43.552  1749.18   61.812  1703.91   61.372  507.784   8.9828  501.166   9.0367 6.618378 12.74177 
1 1 1   13    3   30 o  638.662   7.6576  2761.89   66.189  2921.85   96.562  2620.13   90.904  656.057   10.861  621.267   10.798 34.78961 15.31519 
1 1 1   13    3   31 o  499.142   6.3319  1690.07   42.823  1668.35   59.932  1712.73   61.211  495.868   8.9189  502.415   8.9904 -6.547607 12.66387 
1 1 1   13    3   32 o  785.185   9.1271  4187.50   97.080  4311.42  139.561  4071.32  135.131  796.428   12.931  773.943   12.884 22.48499 18.25428 
1 1 1   13    3   33 o  695.912   8.2461  3264.93   77.439  3008.07  103.903  3585.91  116.149  665.384   11.523  726.439   11.799 -61.05499 16.49221 
1 1 1   13    3   34 o  490.234   6.2777  1624.62   41.619  1759.16   61.112  1508.24   56.836  509.087   8.8584  471.381   8.8975 37.70569 12.55532 
1 1 1   13    3   35 o  368.220   5.2135  919.953   26.013  934.836   36.816  905.116   36.758  371.198   7.3190  365.243   7.4266 5.955353 10.42701 
1 1 1   13    3   36 o  231.918   4.3100  364.210   13.534  349.371   18.692  380.563   19.622  226.961   6.0775  236.875   6.1129 -9.913544 8.619973 
1 1 1   13    3   37 o  204.073   4.2040  282.550   11.621  285.653   16.254  279.305   16.621  205.223   5.8447  202.923   6.0443 2.300140 8.407954 
1 1 1   13    3   38 o  459.400   7.3857  1423.29   42.938  1402.86   51.943  1467.38   76.302  454.510   8.4334  464.290   12.127 -9.780060 14.77143 
1 1 1   13    3   39 o  572.304   8.6836  2230.24   63.260  2229.47   77.214  2231.81  110.328  572.656   9.9499  571.952   14.235 0.7037354 17.36726 
1 1 1   13    3   40 o  216.001   5.2445  321.571   14.625  300.429   24.335  333.526   18.299  210.289   8.5397  221.714   6.0904 -11.42577 10.48901 
1 1 1   13    3   41 o   84.729   5.5377   47.926   6.2024   52.442   10.123   45.212   7.8482   87.852   8.5028   81.606   7.0968 6.245644 11.07532 
1 1 1   13    3   42 f  253.692   6.2683  436.794   21.550  436.794   21.550   0.0000   0.0000  253.692   6.2683  ?   ?       ?      ? 
1 1 1   13    3   43 o  292.711   6.6312  581.669   26.303  581.669   26.303   0.0000   0.0000  292.711   6.6312  ?   ?       ?      ? 
1 1 1   13    3   44 o  271.522   5.6244  494.375   19.530  520.953   34.176  481.487   23.798  276.742   9.1129  266.301   6.5946 10.44180 11.24872 
1 1 1   13    3   45 o  238.783   4.4398  387.144   14.364  390.869   20.203  383.335   20.428  239.950   6.2130  237.617   6.3440 2.333435 8.879666 
1 1 1   13    3   46 o  202.020   4.2984  277.069   11.764  276.971   16.447  277.171   16.834  201.988   6.0088  202.052   6.1482 -0.6402588E-01 8.596841 
1 1 1   13    3   47 o  135.443   5.1482  122.218   8.9614  117.265   10.943  132.303   15.615  131.417   6.1446  139.470   8.2620 -8.053772 10.29644 
1 1 1   13    3   48 o  181.299   5.2481  226.220   12.164  232.160   15.013  214.872   20.752  184.909   5.9916  177.690   8.6182 7.218460 10.49627 
1 1 1   13    3   49 o  262.899   4.6148  469.267   16.436  458.338   22.893  480.892   23.611  259.744   6.5039  266.053   6.5488 -6.309082 9.229682 
1 1 1   13    3   50 f  336.426   5.1014  769.306   23.249  797.795   33.145  741.713   32.620  342.567   7.1399  330.284   7.2882 12.28308 10.20273 
1 1 1   13    3   51 o  305.797   4.8992  635.641   20.299  632.529   28.440  638.872   28.983  305.041   6.8801  306.553   6.9767 -1.511688 9.798439 
1 1 1   13    3   52 o  132.855   4.4998  119.853   8.0982  116.077   11.278  123.873   11.636  130.696   6.3678  135.014   6.3595 -4.318481 8.999569 
1 1 1   13    3   53 o  145.873   4.4438  144.812   8.7676  154.808   12.381  134.756   12.418  150.945   6.0526  140.800   6.5082 10.14525 8.887658 
1 1 1   13    3   54 o  234.762   4.5720  374.006   14.532  355.488   20.088  394.338   21.049  228.674   6.4823  240.849   6.4491 -12.17564 9.143903 
1 1 1   13    3   55 o  204.377   5.7044  292.283   14.694  307.280   18.030  262.625   25.355  212.613   6.2577  196.141   9.5394 16.47256 11.40872 
1 1 1   13    3   56 o  378.106   6.7440  968.052   32.362  953.125   39.250  999.745   57.191  374.093   7.7424  382.118   11.045 -8.025024 13.48802 
1 1 1   13    3   57 o  183.336   5.4794  218.430   12.831  260.460   23.056  199.572   15.444  195.393   8.7076  171.279   6.6539 24.11340 10.95886 
1 1 1   13    3   58 o  150.518   5.4402  149.859   10.562  168.953   18.406  140.484   12.897  157.347   8.6321  143.689   6.6234 13.65761 10.88039 
1 1 1   13    3   59 o  118.981   5.8455   96.799   9.0003   95.894   15.132   97.295   11.196  118.424   9.4291  119.538   6.9116 -1.113411 11.69093 
1 1 1   13    3   60 o  147.762   5.8196  153.622   10.889  135.491   18.512  163.212   13.464  140.674   9.7110  154.849   6.4163 -14.17461 11.63929 
1 1 1   13    3   61 o  135.291   4.8822  124.689   8.8968  143.723   12.834  107.081   12.344  145.269   6.5195  125.312   7.2690 19.95605 9.764399 
1 1 1   13    3   62 o   99.117   5.2586   67.021   7.0487   61.333   9.8332   73.033   10.109   94.772   7.6566  103.462   7.2103 -8.690559 10.51719 
1 1 1   13    3   63 o  142.970   4.6785  139.563   9.0434  150.917   12.823  128.327   12.756  148.798   6.3592  137.143   6.8638 11.65504 9.356902 
1 1 1   13    3   64 o  145.514   5.6154  142.048   10.504  136.112   12.831  154.110   18.291  141.212   6.7053  149.816   9.0095 -8.603989 11.23088 
1 1 1   13    3   66 o  133.779   4.8360  122.482   8.7582  129.170   12.411  115.848   12.361  137.451   6.6633  130.107   7.0107 7.343475 9.672082 
1 1 1   13    3   67 o  253.190   4.8216  438.961   16.541  447.012   23.427  430.957   23.359  255.525   6.7655  250.854   6.8716 4.671555 9.643173 
1 1 1   13    3   68 o  118.635   4.9859   96.640   8.0093   99.988   11.254   93.203   11.401  120.755   6.8772  116.515   7.2209 4.239502 9.971833 
1 1 1   13    3   69 o  117.000   4.9466   94.045   7.8389   94.149   10.915   93.934   11.265  117.094   6.8788  116.907   7.1105 0.1869583 9.893283 
1 1 1   13    3   70 o   65.405   8.8573   33.860   6.9456   38.478   8.3971   23.855   12.359   74.546   8.3123   56.264   15.643 18.28194 17.71463 
1 1 1   13    3   71 o  128.419   6.2016  118.830   9.9981  127.003   12.315  103.024   17.126  135.839   6.6898  120.999   10.444 14.83985 12.40323 
1 1 1   13    3   72 o   86.369   5.7049   51.776   6.6694   55.379   9.5953   48.408   9.2767   89.310   7.9282   83.428   8.2053 5.881111 11.40986 
1 1 1   13    3   73 o   88.345   6.7151   50.823   7.6300   68.871   13.688   42.688   9.1902   98.589   10.246   78.100   8.6834 20.48858 13.43027 
1 1 1   13    3   74 o   62.414   8.7999   30.161   6.8088   24.982   11.818   32.734   8.3301   56.645   15.115   68.183   9.0156 -11.53736 17.59981 
1 1 1   13    3   75 o   42.761   9.6788   13.822   6.2633   11.218   10.813   15.137   7.6835   40.783   14.952   44.739   12.294 -3.955532 19.35752 
1 1 1   13    3   76 o  105.353   5.3834   77.799   7.6558   69.457   10.733   86.440   10.924   99.436   7.9649  111.270   7.2445 -11.83404 10.76674 
1 1 1   13    3   77 o   66.837   9.6747   34.683   8.4674   35.067   12.031   34.307   11.920   67.217   13.673   66.458   13.691 0.7591095 19.34935 
1 1 1   13    3   78 o   87.419   7.2830   57.508   8.0205   62.426   9.9982   48.630   13.433   94.077   7.8425   80.761   12.274 13.31583 14.56598 
1 1 1   13    3   79 o   86.112   5.9851   52.775   6.9826   54.351   9.9483   51.245   9.8032   87.411   8.3984   84.813   8.5295 2.597923 11.97020 
1 1 1   13    3   80 o   54.344   8.5480   23.020   6.1684   18.463   8.7381   27.547   8.7089   48.338   13.039   60.350   11.056 -12.01157 17.09590 
1 1 1   13    3   81 o   53.987   8.2867   22.423   6.0826   30.284   8.7360   15.026   8.4741   64.364   10.016   43.609   13.205 20.75442 16.57338 
1 1 1   13    3   82 o   33.184   8.9792   6.9333   5.6479   6.1981   8.0574   7.6435   7.9190   32.436   12.668   33.932   12.729 -1.495884 17.95840 
1 1 1   13    3   83 o   44.943   9.0896   16.232   6.0092   20.920   8.4345   11.399   8.5637   51.325   12.290   38.560   13.396 12.76488 18.17927 
1 1 1   13    3   84 f   40.257   9.9948   13.139   7.0749   16.651   8.5963   5.7667   12.455   45.106   13.214   35.409   14.999 9.696598 19.98969 
1 1 1   13    3   85 o   51.026   9.2330   21.512   6.4442   24.442   9.2043   18.696   9.0252   54.762   12.657   47.290   13.446 7.471737 18.46596 
1 1 1   13    3   86 o   75.091   9.6364   49.248   8.7532   38.684   14.915   54.797   10.811   64.449   16.878   85.732   9.3053 -21.28275 19.27276 
1 1 1   13    3   87 o   40.504   9.6134   7.6010   7.0884   29.358   12.277  -3.2789   8.6817   56.453   15.552   24.556   11.306 31.89745 19.22684 
1 1 1   13    3   88 o   44.854   13.866   18.065   9.2832   0.0000   0.0000   18.065   9.2832  ?   ?    44.854   13.866      ?      ? 
1 1 1   13    3   89 o   58.078   10.695   30.672   8.1676   37.853   14.041   26.999   10.041   61.380   16.517   54.775   13.592 6.604919 21.39081 
1 1 1   13    4    0 o  561.592   6.8879  2138.86   52.416  2111.50   73.592  2167.03   74.674  557.948   9.7331  565.237   9.7489 -7.288696 13.77585 
1 1 1   13    4    1 o  711.706   8.3610  3437.16   80.638  3442.38  114.135  3431.97  113.944  712.244   11.825  711.167   11.823 1.077332 16.72196 
1 1 1   13    4    2 f  873.078   12.285  5198.57  137.247  5127.03  236.060  5235.10  168.688  868.072   20.067  878.084   14.176 -10.01215 24.56943 
1 1 1   13    4    3 o  557.522   8.4244  2089.04   59.455  2165.05  105.748  2053.91   71.895  564.729   13.818  550.314   9.6406 14.41467 16.84876 
1 1 1   13    4    4 o  403.571   6.7683  1112.35   34.851  1081.11   60.080  1128.20   42.785  399.208   11.106  407.934   7.7396 -8.725800 13.53660 
1 1 1   13    4    5 o  559.890   9.8297  2127.90   74.580  2136.06  105.437  2119.72  105.508  560.967   13.870  558.813   13.933 2.154297 19.65943 
1 1 1   13    4    6 o  788.026   12.981  4219.81  138.605  4169.25  194.297  4272.21  197.783  783.227   18.306  792.825   18.409 -9.598511 25.96152 
1 1 1   13    4    7 o  1003.34   16.108  6851.91  218.999  6790.49  307.618  6915.04  311.848  998.791   22.728  1007.89   22.832 -9.096436 32.21577 
1 1 1   13    4    8 o  1003.81   16.116  6858.46  219.222  6881.26  310.501  6835.79  309.553  1005.48   22.788  1002.15   22.794 3.328918 32.23146 
1 1 1   13    4    9 o  699.879   16.623  3326.83  157.654   0.0000   0.0000  3326.83  157.654  ?   ?   699.879   16.623      ?      ? 
1 1 1   13    4   10 o  307.457   9.7664  641.023   40.691   0.0000   0.0000  641.023   40.691  ?   ?   307.457   9.7664      ?      ? 
1 1 1   13    4   11 o  346.812   5.7240  815.197   26.901   0.0000   0.0000  815.197   26.901  ?   ?   346.812   5.7240      ?      ? 
1 1 1   13    4   12 o  589.588   10.128  2357.35   80.919   0.0000   0.0000  2357.35   80.919  ?   ?   589.588   10.128      ?      ? 
1 1 1   13    4   13 o  607.240   7.3363  2494.01   60.287  2638.32   88.075  2366.80   82.695  623.720   10.420  590.759   10.330 32.96106 14.67263 
1 1 1   13    4   14 o  726.625   11.951  3584.85  117.662  3519.36  164.544  3653.38  168.317  719.839   16.868  733.410   16.936 -13.57123 23.90281 
1 1 1   13    4   15 o  301.746   5.5088  608.465   21.328  590.826   26.059  644.255   37.120  295.240   6.5133  308.252   8.8862 -13.01254 11.01760 
1 1 1   13    4   16 o  677.282   8.0113  3106.13   73.463  3252.18  106.595  2974.00  101.386  692.417   11.360  662.146   11.299 30.27069 16.02261 
1 1 1   13    4   17 o  919.613   10.484  5721.53  130.404  5423.02  177.840  6068.71  191.786  893.775   14.683  945.451   14.969 -51.67664 20.96825 
1 1 1   13    4   18 o  582.688   7.0872  2302.03   55.953  2269.14   78.282  2336.37   80.004  578.437   9.9868  586.939   10.059 -8.502075 14.17430 
1 1 1   13    4   19 o  562.915   6.9087  2142.92   52.627  2278.57   76.862  2023.21   72.207  579.637   9.7853  546.193   9.7555 33.44348 13.81747 
1 1 1   13    4   20 o  755.705   8.7884  3875.52   90.000  3880.36  127.221  3870.68  127.338  756.178   12.415  755.232   12.442 0.9458008 17.57678 
1 1 1   13    4   21 o  834.009   9.6388  4675.35  108.366  5211.74  163.689  4256.84  144.589  876.152   13.787  791.865   13.474 84.28705 19.27751 
1 1 1   13    4   22 o  832.890   14.196  4710.85  160.230  4710.85  160.230   0.0000   0.0000  832.890   14.196  ?   ?       ?      ? 
1 1 1   13    4   23 o  864.147   13.984  5071.36  163.761  5071.36  163.761   0.0000   0.0000  864.147   13.984  ?   ?       ?      ? 
1 1 1   13    4   24 o  314.253   4.7770  669.532   20.339  687.561   28.842  651.700   28.685  318.463   6.6832  310.043   6.8273 8.419891 9.553917 
1 1 1   13    4   25 o  426.815   5.6827  1231.59   32.816  1164.51   44.922  1308.37   48.056  414.391   7.9995  439.239   8.0735 -24.84799 11.36542 
1 1 1   13    4   26 o  678.350   8.0691  3094.76   73.827  3450.21  111.025  2813.02   98.847  712.937   11.492  643.763   11.331 69.17358 16.13829 
1 1 1   13    4   27 o  536.848   6.6975  1941.24   48.542  1787.97   65.331  2130.15   72.529  513.367   9.3909  560.330   9.5518 -46.96246 13.39497 
1 1 1   13    4   28 o  273.963   5.5906  509.985   19.583  506.189   33.801  511.904   24.026  273.150   9.1315  274.776   6.4524 -1.626007 11.18112 
1 1 1   13    4   29 o  388.584   6.5650  996.545   32.207  1101.07   58.399  950.859   38.609  402.735   10.701  374.432   7.6090 28.30322 13.13005 
1 1 1   13    4   30 o  565.242   6.9718  2156.05   53.240  2004.30   71.978  2339.38   79.112  543.417   9.7742  587.068   9.9442 -43.65131 13.94354 
1 1 1   13    4   31 o  577.787   7.0877  2257.61   55.387  2427.91   81.350  2110.45   75.622  598.018   10.038  557.556   10.009 40.46234 14.17536 
1 1 1   13    4   32 o  358.806   5.1497  871.286   25.010  830.594   34.372  917.068   36.458  349.926   7.2484  367.687   7.3170 -17.76056 10.29944 
1 1 1   13    4   33 o  316.841   4.8320  680.478   20.738  665.569   28.826  696.472   29.857  313.248   6.7907  320.434   6.8758 -7.185547 9.663906 
1 1 1   13    4   34 f  280.971   4.6027  535.439   17.515  559.791   24.928  511.694   24.616  287.285   6.4032  274.657   6.6136 12.62839 9.205465 
1 1 1   13    4   35 o  459.127   6.0077  1427.28   37.327  1527.08   54.364  1338.26   51.343  474.276   8.4586  443.978   8.5337 30.29745 12.01545 
1 1 1   13    4   36 o  359.846   5.1706  878.799   25.211  881.621   35.448  875.910   35.864  360.435   7.2574  359.257   7.3668 1.177795 10.34113 
1 1 1   13    4   37 o  482.787   7.6077  1596.09   47.295  1549.46   79.967  1621.17   58.652  477.040   12.370  488.534   8.8595 -11.49316 15.21537 
1 1 1   13    4   38 o  313.454   5.8384  655.546   23.451  703.037   41.030  632.504   28.580  321.627   9.4139  305.281   6.9084 16.34622 11.67679 
1 1 1   13    4   39 o  124.284   4.2193  104.722   7.0960  103.459   9.7501  106.144   10.347  123.491   5.8263  125.076   6.1046 -1.584282 8.438701 
1 1 1   13    4   40 o  134.098   5.6039  130.242   9.0997  142.710   10.996  103.153   16.208  145.039   5.5947  123.158   9.7116 21.88135 11.20784 
1 1 1   13    4   41 o  315.499   4.8994  675.376   20.926  718.390   29.981  634.512   29.222  325.300   6.8012  305.698   7.0540 19.60233 9.798756 
1 1 1   13    4   42 o  159.378   4.2400  172.992   9.1069  194.152   12.891  151.909   12.868  169.157   5.6235  149.599   6.3472 19.55811 8.480066 
1 1 1   13    4   43 o  221.070   4.3663  330.317   13.052  306.521   17.808  357.943   19.187  212.502   6.1839  229.637   6.1658 -17.13509 8.732576 
1 1 1   13    4   44 o  308.026   5.8458  630.103   22.838  604.261   27.521  687.261   40.929  298.287   6.8083  317.766   9.5047 -19.47916 11.69157 
1 1 1   13    4   45 o  254.472   6.4220  438.192   22.078  486.923   32.564  396.734   30.035  267.504   8.9830  241.440   9.1800 26.06424 12.84393 
1 1 1   13    4   46 o  132.455   5.4141  120.303   9.1529  116.127   15.735  122.439   11.253  130.628   8.8887  134.283   6.1838 -3.655014 10.82811 
1 1 1   13    4   47 o  111.531   4.4989   84.712   6.7808   89.022   9.4135   80.063   9.7757  114.499   6.0668  108.562   6.6449 5.937637 8.997848 
1 1 1   13    4   48 o  110.282   4.5918   82.297   6.8440   74.460   9.3828   91.207   10.005  104.688   6.6138  115.876   6.3715 -11.18758 9.183608 
1 1 1   13    4   49 f  172.070   4.3191  201.196   10.063  203.689   14.004  198.534   14.471  173.182   5.9670  170.958   6.2462 2.224380 8.638282 
1 1 1   13    4   50 o  182.696   4.3787  226.987   10.828  237.636   15.237  216.121   15.392  187.044   6.0112  178.349   6.3685 8.694916 8.757442 
1 1 1   13    4   51 o  171.616   6.1484  200.099   14.299  200.099   14.299   0.0000   0.0000  171.616   6.1484  ?   ?       ?      ? 
1 1 1   13    4   52 o  326.386   6.2579  720.476   25.904  710.430   31.406  741.855   45.815  323.182   7.1711  329.590   10.258 -6.407928 12.51583 
1 1 1   13    4   53 f  410.542   11.480  1153.81   63.865  1153.81   63.865   0.0000   0.0000  410.542   11.480  ?   ?       ?      ? 
1 1 1   13    4   54 o  154.581   4.5544  162.457   9.5402  162.387   13.542  162.527   13.442  154.545   6.4662  154.616   6.4155 -0.7078552E-01 9.108796 
1 1 1   13    4   55 o  129.794   5.5642  115.808   9.3103  111.238   15.655  118.309   11.581  127.684   9.0479  131.903   6.4788 -4.219170 11.12832 
1 1 1   13    4   56 o  208.928   6.4128  298.160   18.135  303.199   25.183  292.732   26.138  210.805   8.8154  207.051   9.3157 3.754074 12.82554 
1 1 1   13    4   57 o  172.737   5.8440  212.917   12.596  231.021   15.493  177.618   21.634  184.314   6.2030  161.160   9.9061 23.15442 11.68792 
1 1 1   13    4   58 o  209.284   4.5522  297.753   12.905  287.216   17.952  309.019   18.563  205.454   6.4480  213.113   6.4276 -7.658371 9.104406 
1 1 1   13    4   59 o  144.328   4.6490  141.827   9.0914  143.754   12.812  139.874   12.903  145.322   6.5056  143.334   6.6430 1.988586 9.297970 
1 1 1   13    4   60 o  217.452   4.6091  321.950   13.577  334.434   19.335  309.806   19.069  221.623   6.4378  213.280   6.5978 8.342346 9.218268 
1 1 1   13    4   61 o  159.662   6.4939  173.687   14.000  195.676   20.583  154.756   19.098  169.053   8.9848  150.271   9.3784 18.78218 12.98772 
1 1 1   13    4   62 o  157.950   6.4955  170.984   13.897  174.909   20.011  167.327   19.315  159.687   9.2475  156.213   9.1240 3.474289 12.99091 
1 1 1   13    4   63 o  207.861   6.4842  294.720   18.265  294.720   18.265   0.0000   0.0000  207.861   6.4842  ?   ?       ?      ? 
1 1 1   13    4   64 o  135.179   4.7246  124.797   8.6548  124.418   12.249  125.174   12.230  134.972   6.6970  135.386   6.6662 -0.4142151 9.449271 
1 1 1   13    4   65 o   59.370   7.4837   24.894   5.8626   21.989   8.3058   27.778   8.2764   55.289   11.462   63.451   9.6254 -8.161423 14.96738 
1 1 1   13    4   66 o   41.428   8.6806   12.080   5.3188   15.303   7.5784   8.9506   7.4668   45.960   12.028   36.895   12.519 9.064682 17.36117 
1 1 1   13    4   67 o   85.254   5.7561   50.046   6.6494   49.132   9.3751   50.971   9.4324   84.462   8.1909   86.045   8.0894 -1.583412 11.51213 
1 1 1   13    4   68 o  129.615   4.8852  115.221   8.5467  101.900   11.872  129.554   12.314  121.774   7.1941  137.456   6.6109 -15.68270 9.770328 
1 1 1   13    4   70 o  128.931   4.8743  114.457   8.5152  114.518   11.945  114.395   12.142  128.983   6.8340  128.878   6.9522 0.1049194 9.748678 
1 1 1   13    4   71 o  107.061   6.1832   77.664   8.6206   88.036   14.698   72.225   10.644  112.015   9.6830  102.107   7.6921 9.908127 12.36644 
1 1 1   13    4   72 o   36.911   9.8079   7.5996   6.2675   6.3830   7.5562   10.282   11.220   33.201   12.438   40.621   15.168 -7.420345 19.61570 
1 1 1   13    4   73 o   69.241   6.8580   34.883   6.0823   43.694   8.5667   25.927   8.6372   79.138   7.9881   59.343   11.150 19.79442 13.71594 
1 1 1   13    4   74 o   26.008   7.8037   0.3262   4.8742  -2.4388   6.7579   3.3243   7.0370   23.124   10.379   28.892   11.656 -5.768047 15.60731 
1 1 1   13    4   75 o   59.810   7.1815   26.051   5.6565   29.265   8.0161   22.863   7.9831   64.209   9.2126   55.412   11.019 8.797314 14.36304 
1 1 1   13    4   76 o   29.536   9.0514   0.1069   6.7919  -3.3472   9.9353   3.1372   9.3058   27.600   12.468   31.472   13.125 -3.872372 18.10275 
1 1 1   13    4   77 o   31.617   8.4518   5.6416   5.0802   8.5172   7.1830   2.7636   7.1859   34.983   12.262   28.251   11.635 6.731480 16.90353 
1 1 1   13    4   78 o   42.648   8.8500   14.071   5.4899   12.119   7.9602   15.842   7.5813   40.006   12.903   45.291   12.116 -5.285538 17.69991 
1 1 1   13    4   79 o   67.424   6.9115   32.813   6.2912   36.973   9.1905   29.144   8.6300   71.561   9.4772   63.286   10.063 8.274529 13.82307 
1 1 1   13    4   80 o   59.151   10.917   29.002   8.8395   29.596   12.747   28.452   12.269   59.640   15.595   58.663   15.281 0.9777222 21.83388 
1 1 1   13    4   81 o   42.005   9.2855   13.843   5.9480   16.483   8.3599   11.137   8.4646   45.530   12.939   38.480   13.321 7.050114 18.57096 
1 1 1   13    4   82 o   86.771   6.1682   54.361   7.2508   56.213   10.362   52.583   10.150   88.256   8.6638   85.287   8.7820 2.968666 12.33633 
1 1 1   13    4   83 o   53.985   8.7289   23.234   6.2473   22.755   8.8143   23.718   8.8559   53.363   12.422   54.607   12.267 -1.244156 17.45786 
1 1 1   13    4   84 o   33.511   9.3693   6.7506   6.6029  -0.3985   11.226   10.532   8.1645   30.026   13.434   36.997   13.064 -6.971149 18.73869 
1 1 1   13    4   85 o   40.899   10.936   12.992   8.4780   7.8660   11.575   18.926   12.453   35.788   14.756   46.009   16.144 -10.22058 21.87176 
1 1 1   13    4   86 o   42.431   11.419   15.823   9.0752   15.932   12.281   15.692   13.470   42.512   15.870   42.350   16.424 0.1620064 22.83853 
1 1 1   13    4   87 o   46.362   9.4828   20.825   7.6207   3.5411   13.339   29.200   9.2852   33.157   14.753   59.567   11.919 -26.41069 18.96566 
1 1 1   13    4   88 o   38.639   10.708   12.674   8.4828   6.6727   12.172   18.341   11.828   33.797   14.583   43.481   15.684 -9.684166 21.41598 
1 1 1   13    4   89 o   43.538   16.155   19.711   12.687   0.0000   0.0000   19.711   12.687  ?   ?    43.538   16.155      ?      ? 
1 1 1   13    5    0 o  683.790   8.0798  3171.81   74.869  3176.64  106.018  3167.00  105.744  684.309   11.433  683.271   11.420 1.037720 16.15954 
1 1 1   13    5    1 o  768.724   8.9492  4003.99   93.157  4166.35  134.920  3856.07  128.781  783.592   12.706  753.857   12.606 29.73425 17.89836 
1 1 1   13    5    2 o  1018.05   14.178  7097.99  185.404  6886.48  315.042  7210.05  229.320  1005.78   23.114  1030.33   16.424 -24.55359 28.35544 
1 1 1   13    5    3 o  534.705   9.5475  1940.29   69.180  1938.00   97.507  1942.62   98.166  534.389   13.465  535.021   13.540 -0.6318359 19.09499 
1 1 1   13    5    4 o  534.901   8.2312  1936.92   56.065  1952.57   97.935  1929.29   68.378  536.399   13.473  533.403   9.4597 2.995422 16.46243 
1 1 1   13    5    5 o  344.562   7.2828  805.131   34.002  820.668   48.242  789.793   47.932  347.867   10.234  341.257   10.365 6.610321 14.56557 
1 1 1   13    5    6 o  295.426   6.8189  591.201   27.272  629.678   39.209  555.141   37.958  304.731   9.4948  286.121   9.7897 18.61078 13.63784 
1 1 1   13    5    7 o  411.873   8.0094  1150.19   44.693  1129.78   62.370  1171.74   64.076  408.119   11.277  415.626   11.376 -7.506836 16.01874 
1 1 1   13    5    8 o  370.492   7.5446  930.716   37.872  919.561   52.944  942.404   54.195  368.221   10.610  372.763   10.729 -4.541656 15.08910 
1 1 1   13    5    9 o  735.373   12.247  3673.18  122.045  3702.36  173.149  3644.37  172.051  738.276   17.307  732.470   17.333 5.806580 24.49441 
1 1 1   13    5   10 o  878.358   14.292  5238.18  169.979  5062.39  234.792  5431.78  246.402  862.914   20.079  893.802   20.343 -30.88782 28.58312 
1 1 1   13    5   11 o  614.782   10.585  2564.26   88.161  2640.68  126.429  2491.93  122.997  623.694   14.959  605.870   14.981 17.82373 21.17038 
1 1 1   13    5   12 o  286.487   6.7117  555.981   26.037  542.851   35.988  570.402   37.717  282.944   9.3859  290.030   9.5965 -7.086182 13.42342 
1 1 1   13    5   13 o  475.707   8.7728  1535.44   56.551  1552.38   79.938  1518.46   80.012  478.339   12.332  473.076   12.481 5.262146 17.54559 
1 1 1   13    5   14 o  668.806   11.331  3035.09  102.653  3142.18  147.670  2934.96  142.799  680.212   16.020  657.400   16.029 22.81201 22.66233 
1 1 1   13    5   15 o  854.237   11.981  4755.40  126.786  4483.86  149.378  5455.00  239.770  812.803   13.562  895.670   19.754 -82.86780 23.96166 
1 1 1   13    5   16 o  668.278   9.8020  3116.82   85.580  3427.59  110.909  2659.49  134.543  710.797   11.514  625.758   15.866 85.03894 19.60396 
1 1 1   13    5   17 o  354.987   6.1271  863.956   28.062  886.701   34.971  822.831   47.024  361.662   7.1355  348.311   9.9625 13.35175 12.25427 
1 1 1   13    5   18 o  314.044   5.7135  662.937   23.220  687.891   39.504  649.765   28.701  318.490   9.1529  309.597   6.8410 8.892975 11.42692 
1 1 1   13    5   19 o  565.312   9.7054  2167.82   74.316  2104.40  103.208  2236.12  107.098  556.736   13.680  573.888   13.771 -17.15222 19.41089 
1 1 1   13    5   20 o  357.919   5.1047  866.775   24.733  828.926   34.054  909.034   35.983  349.667   7.1866  366.171   7.2515 -16.50446 10.20943 
1 1 1   13    5   21 o  638.679   7.6391  2767.66   66.115  2789.36   93.722  2746.16   93.280  641.172   10.787  636.185   10.820 4.987488 15.27810 
1 1 1   13    5   22 o  387.421   5.3477  1017.78   28.074  1024.34   39.587  1011.13   39.820  388.679   7.5158  386.162   7.6095 2.517548 10.69537 
1 1 1   13    5   23 o  630.795   7.6069  2669.18   64.629  2415.70   85.858  3000.59   98.174  596.649   10.619  664.942   10.895 -68.29272 15.21388 
1 1 1   13    5   24 o  536.826   8.3012  1977.70   56.871  2021.88   69.990  1891.85   97.568  545.925   9.4606  527.726   13.643 18.19873 16.60246 
1 1 1   13    5   25 o  291.328   9.7398  575.852   38.452   0.0000   0.0000  575.852   38.452  ?   ?   291.328   9.7398      ?      ? 
1 1 1   13    5   26 o  349.363   5.0641  827.448   23.967  859.022   34.168  796.868   33.626  355.925   7.0840  342.801   7.2386 13.12390 10.12821 
1 1 1   13    5   27 o  395.470   5.4543  1054.95   29.145  1167.90   42.970  958.711   39.664  414.971   7.6413  375.968   7.7851 39.00348 10.90854 
1 1 1   13    5   28 o  787.808   9.1857  4165.89   97.432  4710.56  148.313  3752.37  129.228  832.522   13.146  743.094   12.833 89.42847 18.37149 
1 1 1   13    5   29 o  793.679   9.2261  4259.82   98.948  3987.33  133.923  4587.38  146.834  765.903   12.903  821.455   13.190 -55.55212 18.45217 
1 1 1   13    5   30 f  389.397   6.6559  1035.34   33.236  1010.38   56.770  1048.35   40.996  385.686   10.862  393.107   7.6956 -7.421143 13.31174 
1 1 1   13    5   31 o  443.096   7.1757  1319.07   40.442  1374.66   71.356  1292.76   49.087  449.730   11.708  436.462   8.2992 13.26822 14.35137 
1 1 1   13    5   32 o  567.242   6.9857  2185.26   53.697  2211.94   76.181  2158.93   75.698  570.685   9.8507  563.798   9.9078 6.886963 13.97147 
1 1 1   13    5   33 o  348.568   6.1852  830.182   27.833  807.340   46.835  842.653   34.607  344.727   10.026  352.409   7.2466 -7.681824 12.37033 
1 1 1   13    5   34 o  219.957   5.1170  320.539   14.561  353.979   25.117  303.610   17.871  228.351   8.1166  211.563   6.2333 16.78806 10.23390 
1 1 1   13    5   35 o  197.254   4.2096  263.777   11.241  260.828   15.515  267.036   16.309  196.098   5.8385  198.409   6.0659 -2.311523 8.419178 
1 1 1   13    5   36 o  412.753   5.6227  1156.70   31.446  1182.52   44.644  1131.29   44.300  417.329   7.8940  408.177   8.0089 9.152130 11.24537 
1 1 1   13    5   37 o  375.341   5.3238  953.139   27.030  897.514   36.929  1017.33   39.671  363.589   7.4950  387.092   7.5627 -23.50217 10.64754 
1 1 1   13    5   38 o  341.811   5.0598  793.165   23.432  792.680   32.807  793.670   33.480  341.711   7.0848  341.912   7.2258 -0.2004395 10.11961 
1 1 1   13    5   39 o  269.212   4.5809  492.120   16.701  513.147   23.621  471.101   23.616  274.975   6.3390  263.450   6.6149 11.52515 9.161892 
1 1 1   13    5   40 o  395.276   6.7390  1078.29   34.214  1114.03   42.520  1012.64   57.625  404.962   7.7482  385.589   11.028 19.37320 13.47798 
1 1 1   13    5   41 o  404.852   7.8338  1113.66   42.978  1113.66   42.978   0.0000   0.0000  404.852   7.8338  ?   ?       ?      ? 
1 1 1   13    5   42 o  466.099   7.6178  1504.18   45.382  1556.37   56.143  1405.81   77.084  478.409   8.6600  453.790   12.535 24.61929 15.23565 
1 1 1   13    5   43 o  199.287   6.0059  269.591   16.220  269.591   16.220   0.0000   0.0000  199.287   6.0059  ?   ?       ?      ? 
1 1 1   13    5   44 o  349.634   5.1726  829.786   24.486  880.018   35.208  782.730   34.077  359.885   7.2194  339.384   7.4096 20.50089 10.34511 
1 1 1   13    5   45 o  199.771   6.0078  270.960   16.264  270.960   16.264   0.0000   0.0000  199.771   6.0078  ?   ?       ?      ? 
1 1 1   13    5   46 o  269.229   4.6407  491.881   16.921  477.833   23.441  507.164   24.451  265.224   6.5221  273.234   6.6036 -8.010254 9.281409 
1 1 1   13    5   47 o  250.881   5.6230  429.848   18.128  422.779   30.887  433.562   22.391  249.141   9.1484  252.620   6.5407 -3.479660 11.24601 
1 1 1   13    5   48 o  222.738   9.2893  338.063   28.039   0.0000   0.0000  338.063   28.039  ?   ?   222.738   9.2893      ?      ? 
1 1 1   13    5   49 o  173.112   5.3158  197.778   11.853  223.117   20.724  185.458   14.450  181.019   8.4481  165.205   6.4544 15.81367 10.63151 
1 1 1   13    5   50 o  153.865   4.4338  160.883   9.2438  162.617   13.030  159.125   13.116  154.704   6.2150  153.026   6.3251 1.677719 8.867567 
1 1 1   13    5   51 o  287.726   4.8160  562.853   18.774  580.029   26.686  546.022   26.416  292.082   6.7420  283.370   6.8791 8.711700 9.632067 
1 1 1   13    5   52 o  375.292   6.6461  963.683   32.077  952.202   54.613  969.730   39.633  373.165   10.800  377.419   7.7492 -4.253754 13.29224 
1 1 1   13    5   53 o  331.415   6.2203  741.106   26.425  773.040   45.903  725.276   32.317  336.373   10.070  326.456   7.3051 9.917358 12.44069 
1 1 1   13    5   54 o  232.214   4.5794  366.746   14.407  375.489   20.359  357.975   20.390  234.997   6.3930  229.430   6.5583 5.566925 9.158718 
1 1 1   13    5   55 o  163.904   4.5049  182.627   10.003  180.345   13.942  185.048   14.359  162.854   6.3177  164.954   6.4236 -2.099762 9.009775 
1 1 1   13    5   56 o  146.227   4.5887  145.434   9.0914  144.039   12.726  146.887   12.992  145.514   6.4537  146.939   6.5248 -1.424927 9.177312 
1 1 1   13    5   57 o  114.853   4.9158   89.446   7.6352   83.058   10.424   96.840   11.214  110.446   6.9650  119.260   6.9391 -8.813911 9.831674 
1 1 1   13    5   58 o  125.761   6.6911  107.686   11.403  107.686   11.403   0.0000   0.0000  125.761   6.6911  ?   ?       ?      ? 
1 1 1   13    5   59 o  160.354   8.9787  175.890   19.511   0.0000   0.0000  175.890   19.511  ?   ?   160.354   8.9787      ?      ? 
1 1 1   13    5   60 o   85.430   5.7156   49.915   6.5154   39.055   8.9798   61.987   9.4680   75.545   8.7716   95.316   7.3301 -19.77110 11.43115 
1 1 1   13    5   61 o  100.749   5.2372   69.337   7.1456   72.403   10.127   66.297   10.084  102.983   7.2567   98.514   7.5533 4.469101 10.47432 
1 1 1   13    5   62 o  172.839   4.6293  203.638   10.837  194.630   15.117  213.162   15.543  168.899   6.6049  176.779   6.4883 -7.879578 9.258613 
1 1 1   13    5   63 o  142.333   5.7606  137.164   10.477  144.005   18.333  133.846   12.768  144.674   9.3509  139.991   6.7304 4.683853 11.52116 
1 1 1   13    5   64 f  125.134   4.9078  107.122   8.3155  112.650   11.810  101.686   11.711  128.362   6.7892  121.907   7.0889 6.455605 9.815566 
1 1 1   13    5   65 o  165.986   4.6314  188.335   10.415  183.108   14.557  193.817   14.907  163.624   6.5653  168.348   6.5343 -4.724136 9.262873 
1 1 1   13    5   66 o  181.939   4.6363  226.606   11.419  240.417   16.282  213.238   16.019  187.435   6.4103  176.442   6.6998 10.99298 9.272517 
1 1 1   13    5   67 o   75.307   6.2155   39.124   6.3117   44.767   9.1716   34.047   8.6994   80.518   8.4056   70.096   9.1582 10.42224 12.43091 
1 1 1   13    5   68 o  136.878   4.8838  128.496   9.0481  134.567   13.194  123.107   12.432  139.909   6.9591  133.848   6.8539 6.061066 9.767568 
1 1 1   13    5   69 o   87.455   6.7330   52.004   7.5776   57.883   13.217   49.126   9.2485   90.684   10.755   84.226   8.1029 6.457741 13.46602 
1 1 1   13    5   70 o   27.271   7.8386   0.9635   4.8660  -4.1347   6.8611   6.1230   6.9023   22.253   10.173   32.289   11.928 -10.03640 15.67729 
1 1 1   13    5   71 o   84.543   5.8332   50.158   6.5279   63.760   9.3969   37.471   9.0751   95.977   7.2250   73.110   9.1600 22.86712 11.66642 
1 1 1   13    5   72 o   64.633   6.7409   29.465   5.8992   29.111   8.1579   29.854   8.5407   64.271   9.3665   64.996   9.6967 -0.7247849 13.48178 
1 1 1   13    5   73 o   53.360   9.4115   24.190   6.9869   29.335   8.2530   11.173   13.127   64.361   9.4625   42.358   16.272 22.00315 18.82292 
1 1 1   13    5   74 f   81.659   7.2427   48.175   7.5663   49.057   9.3567   46.507   12.862   83.528   8.2662   79.789   11.895 3.739021 14.48541 
1 1 1   13    5   75 o   57.564   7.7186   24.709   5.7974   25.569   8.1110   23.810   8.2893   58.764   10.574   56.364   11.247 2.399666 15.43718 
1 1 1   13    5   76 o   83.509   5.8630   49.251   6.6001   42.830   9.1343   56.266   9.5473   77.653   8.6803   89.364   7.8838 -11.71131 11.72608 
1 1 1   13    5   77 o   36.757   9.6100   9.1177   6.1891   7.6486   10.660   9.8649   7.6017   36.605   14.487   36.908   12.631 -0.3027000 19.22009 
1 1 1   13    5   78 o   51.855   9.7463   22.403   6.9540   16.830   11.986   25.231   8.5379   46.080   15.857   57.630   11.336 -11.54995 19.49264 
1 1 1   13    5   79 o   74.754   6.6400   40.446   6.7153   41.509   9.3255   39.301   9.6782   75.936   9.0624   73.571   9.7074 2.365051 13.28005 
1 1 1   13    5   80 o   72.868   6.8183   38.633   6.7241   36.101   9.3970   41.289   9.6258   70.306   9.8631   75.430   9.4169 -5.123962 13.63665 
1 1 1   13    5   81 o   87.264   6.2287   55.019   7.3324   61.659   10.500   48.698   10.244   92.674   8.3608   81.855   9.2350 10.81901 12.45745 
1 1 1   13    5   82 o   29.946   8.7093   2.3106   6.3226  -7.9762   10.212   8.7042   8.0512   24.858   11.712   35.033   12.893 -10.17490 17.41851 
1 1 1   13    5   83 o   88.818   9.0420   61.776   10.428   48.325   14.116   77.934   15.471   76.601   14.119  101.035   11.300 -24.43411 18.08406 
1 1 1   13    5   84 f   24.158   8.0021  -5.9296   6.5090 -10.8377   10.805  -3.1341   8.1547   24.123   11.557   24.192   11.071 -0.6883621E-01 16.00428 
1 1 1   13    5   85 o   41.179   10.529   12.483   7.3122   21.972   12.696   7.7733   8.9445   48.582   16.326   33.776   13.301 14.80634 21.05805 
1 1 1   13    5   86 o   42.699   16.251   16.681   13.018   16.681   13.018   0.0000   0.0000   42.699   16.251  ?   ?       ?      ? 
1 1 1   13    5   87 o   30.100   13.561   1.1089   11.660   1.1089   11.660   0.0000   0.0000   30.100   13.561  ?   ?       ?      ? 
1 1 1   13    5   88 o   78.545   10.315   56.150   10.639   68.678   15.458   44.876   14.664   89.642   12.725   67.448   16.238 22.19386 20.63035 
1 1 1   13    6    0 o  757.450   8.8253  3892.42   90.586  3911.97  128.445  3873.06  127.774  759.343   12.482  755.557   12.479 3.786133 17.65061 
1 1 1   13    6    1 o  640.622   7.6726  2783.05   66.602  2752.54   93.451  2814.55   94.947  637.055   10.825  644.189   10.876 -7.133484 15.34514 
1 1 1   13    6    2 o  509.726   6.4333  1759.83   44.415  1828.18   64.024  1696.42   61.666  519.257   9.0987  500.195   9.0976 19.06238 12.86666 
1 1 1   13    6    3 o  316.790   4.8087  680.110   20.641  672.464   28.905  688.065   29.484  314.974   6.7720  318.606   6.8289 -3.631714 9.617365 
1 1 1   13    6    4 o  297.007   5.8472  596.170   21.936  603.227   38.956  592.893   26.545  298.260   9.6382  295.755   6.6231 2.504852 11.69448 
1 1 1   13    6    5 o  563.284   14.006  2153.40  106.912  2153.40  106.912   0.0000   0.0000  563.284   14.006  ?   ?       ?      ? 
1 1 1   13    6    6 o  712.700   16.882  3449.97  163.045  3449.97  163.045   0.0000   0.0000  712.700   16.882  ?   ?       ?      ? 
1 1 1   13    6    7 o  404.745   11.236  1111.18   61.629  1111.18   61.629   0.0000   0.0000  404.745   11.236  ?   ?       ?      ? 
1 1 1   13    6    8 o  239.813   9.0281  389.947   29.340  389.947   29.340   0.0000   0.0000  239.813   9.0281  ?   ?       ?      ? 
1 1 1   13    6    9 o  332.681   10.108  750.584   45.570  750.584   45.570   0.0000   0.0000  332.681   10.108  ?   ?       ?      ? 
1 1 1   13    6   10 o  566.133   14.032  2175.48  107.650  2175.48  107.650   0.0000   0.0000  566.133   14.032  ?   ?       ?      ? 
1 1 1   13    6   11 o  558.762   9.8685  2119.06   74.717  2106.71  104.824  2131.82  106.529  557.112   13.885  560.412   14.027 -3.300598 19.73703 
1 1 1   13    6   12 o  683.129   11.545  3168.15  106.849  3259.27  153.179  3081.80  149.118  692.691   16.318  673.567   16.337 19.12415 23.09067 
1 1 1   13    6   13 o  659.570   11.220  2953.26  100.260  3038.08  143.707  2872.82  139.945  668.794   15.856  650.346   15.879 18.44739 22.44048 
1 1 1   13    6   14 o  668.662   11.346  3035.99  102.780  2980.98  143.311  3094.26  147.483  662.436   15.964  674.888   16.126 -12.45184 22.69167 
1 1 1   13    6   15 o  499.814   9.1352  1687.89   61.731  1840.60   90.793  1556.60   84.182  520.746   12.866  478.882   12.972 41.86353 18.27040 
1 1 1   13    6   16 o  544.425   8.3401  1990.14   57.245  1954.57   68.959  2069.00  102.672  536.828   9.4792  552.021   13.725 -15.19324 16.68021 
1 1 1   13    6   17 o  730.453   8.5599  3619.61   84.712  3706.14  121.386  3537.46  118.275  738.957   12.122  721.948   12.089 17.00879 17.11989 
1 1 1   13    6   18 o  714.050   8.3994  3457.95   81.242  3371.58  112.915  3550.65  116.979  704.818   11.822  723.281   11.935 -18.46301 16.79885 
1 1 1   13    6   19 o  489.483   6.2458  1624.94   41.428  1643.71   58.764  1606.40   58.413  492.293   8.8086  486.673   8.8570 5.620789 12.49152 
1 1 1   13    6   20 o  763.626   8.9032  3956.15   92.094  4082.04  132.525  3838.57  128.071  775.362   12.613  751.890   12.569 23.47284 17.80647 
1 1 1   13    6   21 o  378.964   5.2941  973.879   27.186  980.553   38.332  967.124   38.564  380.272   7.4384  377.655   7.5354 2.616699 10.58830 
1 1 1   13    6   22 o  328.772   5.9067  733.272   25.154  732.579   42.319  733.651   31.279  328.604   9.5035  328.940   7.0169 -0.3358459 11.81331 
1 1 1   13    6   23 o  218.989   5.7209  324.682   16.931  359.880   24.474  292.378   23.446  230.358   7.8401  207.621   8.3334 22.73703 11.44174 
1 1 1   13    6   24 o  347.397   6.0783  811.747   27.024  797.990   33.022  839.646   47.025  343.043   7.1035  351.751   9.8653 -8.708557 12.15665 
1 1 1   13    6   25 f  398.067   6.8368  1085.28   34.477  1103.96   42.077  1047.13   60.143  403.442   7.6964  392.693   11.302 10.74939 13.67351 
1 1 1   13    6   26 o  145.248   5.4999  147.172   9.6790  152.596   11.489  133.912   17.964  150.027   5.6513  140.469   9.4370 9.557541 10.99976 
1 1 1   13    6   27 o  230.145   4.3380  359.177   13.500  390.893   19.293  328.748   18.898  240.106   5.9295  220.183   6.3335 19.92274 8.675934 
1 1 1   13    6   28 o  456.636   7.2406  1401.77   42.317  1458.96   73.727  1373.67   51.676  463.354   11.742  449.919   8.4757 13.43503 14.48125 
1 1 1   13    6   29 o  464.418   7.3646  1469.48   44.077  1450.51   74.733  1479.60   54.582  461.932   11.939  466.903   8.6265 -4.971161 14.72915 
1 1 1   13    6   30 f  318.748   5.8788  686.019   24.192  701.244   41.222  678.021   29.878  321.351   9.4660  316.144   6.9740 5.206879 11.75766 
1 1 1   13    6   31 o  388.867   6.7178  1042.03   33.626  977.815   56.379  1077.48   41.893  379.278   10.969  398.456   7.7585 -19.17841 13.43569 
1 1 1   13    6   32 o  402.776   11.104  1103.09   60.610  1103.09   60.610   0.0000   0.0000  402.776   11.104  ?   ?       ?      ? 
1 1 1   13    6   33 o  205.265   4.2664  286.014   11.859  294.729   16.640  277.020   16.905  208.450   5.8907  202.080   6.1731 6.369980 8.532731 
1 1 1   13    6   34 o  205.062   4.2525  284.904   11.807  277.186   16.287  293.451   17.140  202.142   5.9458  207.983   6.0813 -5.840790 8.505033 
1 1 1   13    6   35 o  250.700   4.4732  426.496   15.192  428.097   21.244  424.820   21.735  251.187   6.2410  250.214   6.4101 0.9726715 8.946434 
1 1 1   13    6   36 o  178.358   4.2840  215.838   10.337  215.771   14.208  215.913   15.066  178.336   5.8792  178.380   6.2327 -0.4411316E-01 8.568060 
1 1 1   13    6   37 o  423.019   6.9174  1178.76   36.832  1118.43   43.998  1320.06   67.336  405.766   8.0015  440.272   11.286 -34.50626 13.83471 
1 1 1   13    6   38 o  499.222   6.4398  1689.99   43.503  1815.17   63.321  1578.09   59.869  516.696   9.0434  481.749   9.1706 34.94650 12.87955 
1 1 1   13    6   39 o  393.345   5.4966  1051.04   29.293  1045.43   40.957  1056.91   41.912  392.280   7.7046  394.409   7.8416 -2.128510 10.99323 
1 1 1   13    6   40 o  256.020   4.5467  445.246   15.764  454.117   22.036  435.949   22.559  258.644   6.2871  253.396   6.5697 5.248230 9.093336 
1 1 1   13    6   41 o  436.921   5.8740  1297.85   34.775  1326.66   49.375  1269.49   48.986  441.742   8.2481  432.099   8.3657 9.642975 11.74806 
1 1 1   13    6   42 o  418.897   5.7409  1192.55   32.573  1177.19   45.250  1209.07   46.927  416.115   8.0245  421.680   8.2121 -5.564087 11.48179 
1 1 1   13    6   43 f  161.227   5.6004  183.541   11.067  193.925   13.314  160.324   19.908  169.019   5.8127  153.435   9.5744 15.58400 11.20076 
1 1 1   13    6   44 o  196.332   5.4045  257.023   13.264  249.378   15.824  275.081   24.321  191.639   6.0933  201.024   8.9278 -9.385529 10.80901 
1 1 1   13    6   45 o  165.243   5.2619  179.241   11.213  206.205   19.623  166.167   13.664  174.083   8.3180  156.403   6.4468 17.68011 10.52375 
1 1 1   13    6   46 o  244.571   4.5710  406.081   15.117  443.623   21.711  370.751   21.062  255.555   6.2693  233.587   6.6538 21.96765 9.142016 
1 1 1   13    6   47 o  166.134   4.3558  186.984   9.7930  176.208   13.455  199.123   14.280  161.058   6.1649  171.211   6.1550 -10.15341 8.711500 
1 1 1   13    6   48 o  113.895   5.6626   86.604   8.3201   93.736   14.380   83.015   10.201  117.281   9.0476  110.508   6.8119 6.773750 11.32528 
1 1 1   13    6   49 f  182.321   6.2646  225.882   15.478   0.0000   0.0000  225.882   15.478  ?   ?   182.321   6.2646      ?      ? 
1 1 1   13    6   50 o  160.734   5.3745  177.342   11.142  170.800   18.732  180.923   13.861  158.307   8.7317  163.161   6.2687 -4.854111 10.74897 
1 1 1   13    6   51 o  192.525   6.4385  251.980   16.798   0.0000   0.0000  251.980   16.798  ?   ?   192.525   6.4385      ?      ? 
1 1 1   13    6   52 o  145.015   4.6155  142.844   9.0565  132.223   12.603  154.185   13.023  139.435   6.6699  150.594   6.3815 -11.15875 9.230995 
1 1 1   13    6   53 o   91.775   5.2907   57.347   6.5673   52.732   9.1944   62.154   9.3837   87.992   7.7108   95.558   7.2465 -7.566444 10.58146 
1 1 1   13    6   54 o  224.276   4.6068  342.198   13.997  351.193   19.790  333.193   19.801  227.237   6.4266  221.314   6.6023 5.922958 9.213643 
1 1 1   13    6   55 o  166.778   5.4489  188.269   11.663  185.617   14.305  193.525   20.142  165.187   6.3903  168.369   8.8277 -3.181732 10.89788 
1 1 1   13    6   56 o  148.159   5.8595  159.248   10.882  181.524   13.690  121.015   17.936  163.356   6.1844  132.963   9.9543 30.39235 11.71899 
1 1 1   13    6   57 o  157.182   4.6286  168.102   9.8563  163.293   13.756  173.176   14.129  154.872   6.5546  159.492   6.5372 -4.620102 9.257298 
1 1 1   13    6   58 o  153.322   4.6768  160.174   9.7134  164.840   13.711  155.472   13.763  155.578   6.5034  151.066   6.7229 4.512238 9.353698 
1 1 1   13    6   59 o  212.998   5.7980  303.719   15.585  293.066   18.724  327.741   28.118  207.364   6.6633  218.632   9.4904 -11.26768 11.59597 
1 1 1   13    6   60 o  259.550   4.8181  458.897   16.934  437.852   23.463  481.777   24.465  253.343   6.8344  265.758   6.7933 -12.41475 9.636290 
1 1 1   13    6   61 o   33.226   8.3914   5.3600   5.2115  -0.4884   7.3939   11.134   7.3466   26.435   11.386   40.017   12.330 -13.58107 16.78284 
1 1 1   13    6   62 f   85.574   5.8076   50.371   6.6358   61.798   9.5763   39.816   9.2038   95.032   7.4361   76.116   8.9229 18.91592 11.61523 
1 1 1   13    6   63 o   97.799   5.4898   65.747   7.2523   60.094   10.300   71.305   10.213   93.564   8.1238  102.033   7.3863 -8.469604 10.97965 
1 1 1   13    6   64 o   55.883   9.3672   21.644   6.5915   26.301   11.877   19.572   7.9237   59.748   14.756   52.018   11.542 7.729527 18.73439 
1 1 1   13    6   65 o  110.341   5.1512   83.739   7.6718   74.930   10.813   92.669   10.887  104.414   7.6418  116.268   6.9096 -11.85368 10.30244 
1 1 1   13    6   66 o  136.224   5.8404  128.110   10.182  127.963   17.535  128.185   12.507  135.751   9.5319  136.696   6.7515 -0.9447327 11.68079 
1 1 1   13    6   67 o   45.694   8.6889   15.263   5.5461   18.048   7.9007   12.557   7.7873   49.607   11.904   41.781   12.660 7.825932 17.37771 
1 1 1   13    6   68 o   87.492   5.7152   53.125   6.7179   62.040   9.6283   44.667   9.3779   94.793   7.4953   80.190   8.6298 14.60301 11.43032 
1 1 1   13    6   69 o   78.825   6.0642   43.260   6.4773   43.329   9.1189   43.191   9.2022   78.899   8.5288   78.750   8.6230 0.1491089 12.12832 
1 1 1   13    6   70 o   98.843   5.3967   67.790   7.2265   65.599   10.165   70.029   10.276   97.202   7.7171  100.484   7.5462 -3.281708 10.79340 
1 1 1   13    6   71 o   67.520   7.9775   32.775   6.8018   31.935   8.4373   34.335   11.495   67.347   9.2449   67.693   13.004 -0.3459320 15.95506 
1 1 1   13    6   72 o   30.406   8.0432   3.3701   5.1239   10.318   7.0447  -4.4347   7.4663   37.775   12.134   23.037   10.561 14.73770 16.08644 
1 1 1   13    6   73 o   91.216   5.7342   58.267   7.0786   54.999   9.7231   61.952   10.325   88.504   8.1070   93.929   8.1118 -5.425446 11.46840 
1 1 1   13    6   74 o   41.101   9.9939   12.384   6.4620   13.195   7.6606   10.384   12.032   41.749   12.535   40.453   15.569 1.295849 19.98789 
1 1 1   13    6   75 o   41.380   8.8601   12.846   5.5058   9.4607   7.6642   16.455   7.9147   36.531   12.674   46.229   12.385 -9.697189 17.72026 
1 1 1   13    6   76 o   75.039   6.5009   40.311   6.6027   37.705   9.2076   43.070   9.4734   72.462   9.3768   77.616   9.0069 -5.153984 13.00186 
1 1 1   13    6   77 o   37.406   8.5527   9.4040   5.4753   2.5040   7.6415   16.684   7.8492   28.493   11.889   46.320   12.299 -17.82711 17.10537 
1 1 1   13    6   78 o   28.034   8.7496  -2.2758   6.1106   4.9511   10.899  -5.5889   7.3795   34.242   14.235   21.827   10.177 12.41467 17.49912 
1 1 1   13    6   79 o   56.380   11.828   24.605   8.7483   0.0000   0.0000   24.605   8.7483  ?   ?    56.380   11.828      ?      ? 
1 1 1   13    6   80 o   47.491   8.3928   18.603   7.0381  -2.0342   11.382   31.379   8.9554   29.705   13.389   65.276   10.124 -35.57110 16.78564 
1 1 1   13    6   81 o   49.749   10.201   20.429   7.1219   21.427   11.711   19.843   8.9716   50.058   15.591   49.440   13.159 0.6180191 20.40153 
1 1 1   13    6   82 o   35.401   9.4632   8.5221   6.5948   1.8371   10.613   12.726   8.4169   30.902   13.473   39.901   13.292 -8.998764 18.92646 
1 1 1   13    6   83 o   71.771   9.0632   42.859   8.1195   35.451   13.164   47.408   10.315   63.694   15.417   79.847   9.5333 -16.15315 18.12636 
1 1 1   13    6   84 o   54.828   11.358   27.716   9.1766   33.821   13.056   21.756   12.900   61.298   15.660   48.357   16.455 12.94094 22.71630 
1 1 1   13    6   85 o   45.969   11.552   19.978   9.1166   16.921   12.882   23.046   12.904   43.012   16.215   48.927   16.459 -5.915184 23.10417 
1 1 1   13    6   86 f   50.816   11.485   25.314   9.0527   30.639   13.142   20.506   12.488   55.887   16.329   45.745   16.157 10.14171 22.97093 
1 1 1   13    6   87 f   36.289   15.306   10.349   12.881   10.349   12.881   0.0000   0.0000   36.289   15.306  ?   ?       ?      ? 
1 1 1   13    7    0 o  614.477   7.4428  2560.28   61.968  2524.69   86.810  2597.27   88.487  610.125   10.499  618.829   10.552 -8.704285 14.88552 
1 1 1   13    7    1 o  459.618   6.0034  1431.86   37.386  1465.09   53.350  1399.80   52.407  464.857   8.4690  454.378   8.5111 10.47849 12.00682 
1 1 1   13    7    2 o  424.662   5.6962  1222.28   32.775  1253.62   46.756  1192.00   45.956  430.014   8.0236  419.310   8.0876 10.70444 11.39242 
1 1 1   13    7    3 o  552.923   6.8443  2072.84   51.278  2111.85   73.060  2034.96   71.989  558.050   9.6611  547.796   9.6976 10.25464 13.68868 
1 1 1   13    7    4 o  301.867   4.7309  617.277   19.339  651.162   27.705  585.077   27.007  309.943   6.5963  293.791   6.7836 16.15179 9.461900 
1 1 1   13    7    5 o  419.440   5.6458  1192.41   32.085  1223.31   45.778  1162.58   44.983  424.780   7.9525  414.100   8.0160 10.68015 11.29155 
1 1 1   13    7    6 o  921.912   10.511  5768.31  131.292  5895.98  188.089  5647.00  183.352  931.853   14.895  911.972   14.836 19.88092 21.02299 
1 1 1   13    7    7 o  629.453   9.4252  2732.36   76.176  2831.71   94.708  2550.30  128.202  646.105   10.817  612.801   15.438 33.30371 18.85036 
1 1 1   13    7    8 o  249.045   5.7298  430.187   17.660  445.304   21.251  396.449   31.748  256.313   6.1183  241.777   9.6897 14.53619 11.45969 
1 1 1   13    7    9 o  237.582   5.5979  388.060   16.415  396.005   19.634  369.619   29.915  241.710   5.9943  233.455   9.4558 8.255020 11.19577 
1 1 1   13    7   10 o  557.625   8.5367  2104.28   60.279  2093.83   73.119  2126.43  106.495  555.622   9.7111  559.628   14.043 -4.005676 17.07336 
1 1 1   13    7   11 o  536.979   9.6318  1956.00   70.057  2034.30  100.686  1882.51   97.539  547.391   13.573  526.566   13.669 20.82556 19.26350 
1 1 1   13    7   12 o  393.830   7.9278  1052.52   42.304  1060.32   59.448  1044.52   60.213  395.314   11.097  392.346   11.325 2.967621 15.85557 
1 1 1   13    7   13 o  566.271   8.6607  2178.56   62.250  2182.43   75.802  2170.57  109.093  567.216   9.8616  565.326   14.240 1.889526 17.32147 
1 1 1   13    7   14 o  389.028   6.7771  1032.28   33.228  1042.28   40.286  1011.01   58.765  392.071   7.5825  385.985   11.235 6.086334 13.55411 
1 1 1   13    7   15 f  620.143   9.2714  2614.19   73.034  2619.42   89.003  2603.39  127.786  621.328   10.571  618.957   15.235 2.371460 18.54288 
1 1 1   13    7   16 o  893.127   12.608  5431.62  143.557  5439.90  175.557  5414.90  249.402  894.789   14.478  891.466   20.645 3.323792 25.21564 
1 1 1   13    7   17 o  539.168   7.8778  1981.80   49.301  1990.11   56.691  1956.00   99.865  541.734   7.7223  536.602   13.733 5.132019 15.75562 
1 1 1   13    7   18 o  558.439   8.0620  2094.66   51.823  2075.12   59.165  2159.05  107.407  553.167   7.8927  563.710   14.060 -10.54285 16.12404 
1 1 1   13    7   19 o  510.557   7.5743  1763.63   44.657  1758.62   51.139  1779.70   91.646  509.257   7.4103  511.857   13.212 -2.600525 15.14855 
1 1 1   13    7   20 o  287.177   4.6306  559.261   18.017  569.566   25.416  548.850   25.546  289.839   6.4709  284.515   6.6256 5.324158 9.261289 
1 1 1   13    7   21 o  306.234   4.7637  635.937   19.764  653.464   28.005  618.545   27.896  310.441   6.6569  302.027   6.8158 8.413635 9.527325 
1 1 1   13    7   22 o  261.542   4.4695  463.753   15.838  461.415   22.156  466.194   22.648  260.870   6.2674  262.214   6.3737 -1.344391 8.938917 
1 1 1   13    7   23 o  262.097   5.3378  463.329   18.175  475.053   30.570  456.919   22.603  264.610   8.5252  259.585   6.4255 5.025208 10.67550 
1 1 1   13    7   24 o  294.815   5.6347  591.188   21.552  584.257   36.029  595.050   26.895  293.412   9.0614  296.217   6.7000 -2.805267 11.26940 
1 1 1   13    7   25 o  348.751   7.2544  822.308   34.134  789.786   45.816  862.880   51.173  341.061   9.9129  356.442   10.594 -15.38132 14.50876 
1 1 1   13    7   26 o  383.121   6.7034  982.396   32.125  960.567   38.408  1033.23   58.610  376.280   7.5324  389.962   11.091 -13.68195 13.40683 
1 1 1   13    7   27 o  284.021   5.6179  552.451   20.788  528.654   34.127  566.489   26.212  279.051   9.0247  288.992   6.6931 -9.940460 11.23579 
1 1 1   13    7   28 o  146.773   4.9962  146.898   9.5209  148.807   11.912  143.520   15.843  148.128   5.9341  145.418   8.0396 2.710587 9.992455 
1 1 1   13    7   29 o  455.998   8.4447  1411.68   52.183  1411.68   52.183   0.0000   0.0000  455.998   8.4447  ?   ?       ?      ? 
1 1 1   13    7   30 o  398.070   5.5287  1073.82   29.793  1143.79   43.058  1009.54   41.268  410.498   7.7403  385.642   7.8966 24.85666 11.05750 
1 1 1   13    7   31 o  224.826   4.3732  342.952   13.320  345.169   18.657  340.647   19.024  225.571   6.1033  224.081   6.2650 1.489456 8.746441 
1 1 1   13    7   32 o  482.623   8.8167  1584.37   57.618  1641.03   83.534  1532.94   79.577  490.824   12.559  474.421   12.378 16.40335 17.63341 
1 1 1   13    7   33 o  467.643   7.4734  1507.04   45.006  1552.78   56.046  1423.98   75.520  478.073   8.6510  457.212   12.189 20.86124 14.94687 
1 1 1   13    7   34 o  381.120   5.3998  986.401   27.883  987.848   39.067  984.898   39.808  381.413   7.5584  380.826   7.7137 0.5871582 10.79955 
1 1 1   13    7   35 o  469.333   6.1613  1495.92   39.168  1560.35   56.209  1435.09   54.609  479.159   8.6565  459.506   8.7698 19.65311 12.32254 
1 1 1   13    7   36 o  463.834   8.6793  1462.41   54.554   0.0000   0.0000  1462.41   54.554  ?   ?   463.834   8.6793      ?      ? 
1 1 1   13    7   37 o  489.591   6.3373  1626.24   41.995  1732.96   61.012  1530.16   57.891  504.828   8.9185  474.354   9.0059 30.47397 12.67463 
1 1 1   13    7   38 o  340.892   7.2930  789.369   33.690   0.0000   0.0000  789.369   33.690  ?   ?   340.892   7.2930      ?      ? 
1 1 1   13    7   39 o  357.913   5.2415  870.333   25.419  869.256   35.624  871.451   36.279  357.695   7.3493  358.130   7.4754 -0.4346924 10.48306 
1 1 1   13    7   40 o  204.531   5.5603  282.212   14.211  278.861   17.019  289.930   25.828  202.666   6.1967  206.395   9.2342 -3.729904 11.12068 
1 1 1   13    7   41 o  262.138   5.6045  452.801   18.773  510.060   33.368  426.286   22.707  273.758   8.9946  250.518   6.6886 23.24028 11.20893 
1 1 1   13    7   42 o  225.685   4.4496  345.548   13.598  337.329   18.790  354.586   19.703  222.876   6.2213  228.495   6.3633 -5.618271 8.899188 
1 1 1   13    7   43 o  172.209   5.6070  206.119   11.877  212.665   14.220  191.018   21.598  176.974   5.9294  167.444   9.5181 9.529938 11.21397 
1 1 1   13    7   44 o  242.602   5.6665  392.848   17.134  381.645   20.400  419.672   31.568  237.026   6.3511  248.178   9.3863 -11.15208 11.33308 
1 1 1   13    7   45 o  208.363   4.4408  295.148   12.529  306.926   17.654  283.195   17.785  212.568   6.1285  204.159   6.4284 8.408646 8.881585 
1 1 1   13    7   46 o  176.557   5.3108  213.387   12.167  207.302   20.236  216.833   15.227  174.470   8.5589  178.644   6.2900 -4.174164 10.62166 
1 1 1   13    7   47 o  309.179   4.9735  650.071   20.836  657.763   29.438  642.348   29.497  311.020   6.9844  307.339   7.0823 3.681580 9.946940 
1 1 1   13    7   48 o  342.793   5.2081  798.957   24.178  840.172   34.631  759.764   33.771  351.430   7.2718  334.155   7.4578 17.27423 10.41619 
1 1 1   13    7   49 o  305.223   6.1202  641.181   23.998  615.004   40.632  655.203   29.739  300.093   9.9914  310.353   7.0711 -10.25931 12.24049 
1 1 1   13    7   50 o  103.455   5.0854   73.040   7.1056   79.086   9.9802   66.826   10.119  107.831   6.8299   99.079   7.5364 8.751373 10.17076 
1 1 1   13    7   51 o  164.309   4.5019  183.418   10.019  179.303   13.899  187.867   14.454  162.397   6.3159  166.221   6.4169 -3.824203 9.003712 
1 1 1   13    7   52 o  119.714   5.8711  101.691   8.9004  110.634   11.095   85.546   14.907  127.547   6.4191  111.881   9.8324 15.66606 11.74222 
1 1 1   13    7   53 o  154.298   5.5928  168.101   11.024  182.502   13.847  143.176   18.217  163.818   6.2373  144.777   9.2851 19.04091 11.18556 
1 1 1   13    7   54 o  136.998   4.7161  127.456   8.7217  112.563   12.047  143.863   12.644  128.583   6.9135  145.413   6.4163 -16.83015 9.432196 
1 1 1   13    7   55 o  210.121   4.5881  300.445   13.047  321.814   18.639  279.917   18.269  217.469   6.3247  202.774   6.6484 14.69518 9.176236 
1 1 1   13    7   56 o  118.126   4.9129   95.051   7.8634   92.987   11.030   97.185   11.214  116.820   6.9673  119.432   6.9285 -2.611961 9.825820 
1 1 1   13    7   57 o  130.358   4.7771  115.828   8.4368  118.250   11.900  113.380   11.963  131.738   6.6661  128.978   6.8443 2.760742 9.554104 
1 1 1   13    7   58 f   84.695   5.9289   48.851   6.7526   40.976   9.2350   57.898   9.8987   77.352   8.8101   92.039   7.9364 -14.68713 11.85771 
1 1 1   13    7   59 o   84.998   5.7992   49.472   6.6754   51.555   9.4474   47.396   9.4335   86.803   8.0315   83.193   8.3677 3.609993 11.59844 
1 1 1   13    7   60 o  164.301   5.8721  187.207   12.164  191.188   14.808  178.949   21.329  167.379   6.5287  161.223   9.7624 6.155136 11.74424 
1 1 1   13    7   61 o   98.415   5.4139   66.455   7.1925   73.597   10.224   59.458   10.120  103.711   7.2750   93.120   8.0196 10.59095 10.82773 
1 1 1   13    7   62 o  220.367   4.7109  332.013   14.067  325.360   19.785  338.815   20.003  218.125   6.6933  222.609   6.6310 -4.483475 9.421841 
1 1 1   13    7   63 o  113.909   6.1345   86.835   8.9977   97.735   15.723   81.527   10.972  118.813   9.7651  109.006   7.4277 9.806496 12.26900 
1 1 1   13    7   64 o  103.171   7.1313   80.625   8.8404   57.538   15.292   92.214   10.834   90.379   12.486  115.962   6.8945 -25.58275 14.26264 
1 1 1   13    7   65 o   84.337   7.4927   51.990   7.7523   43.893   13.700   55.803   9.4024   78.674   12.850   90.000   7.7093 -11.32572 14.98539 
1 1 1   13    7   66 o   80.504   6.0660   45.463   6.5178   37.228   9.3330   53.304   9.1064   73.113   9.4198   87.894   7.6455 -14.78094 12.13201 
1 1 1   13    7   67 o   73.700   6.4197   38.257   6.3190   31.352   9.0131   44.932   8.8615   66.884   9.9442   80.515   8.1217 -13.63116 12.83933 
1 1 1   13    7   68 o   85.989   6.7632   49.911   7.6751   43.798   9.6155   60.646   12.741   79.185   8.9608   92.793   10.132 -13.60748 13.52631 
1 1 1   13    7   69 o  121.388   5.9194   95.590   9.3258   79.028   11.361  129.812   16.330  106.607   7.8638  136.168   8.8498 -29.56148 11.83880 
1 1 1   13    7   70 o   73.240   6.5832   38.024   6.4601   44.606   9.1747   31.552   9.0976   79.804   8.4837   66.676   10.069 13.12820 13.16638 
1 1 1   13    7   71 o   98.471   5.5076   67.926   7.3176   74.979   10.347   60.868   10.350  103.759   7.3586   93.183   8.1967 10.57591 11.01523 
1 1 1   13    7   72 o  134.640   5.0368  126.292   9.1858  131.516   13.096  121.233   12.888  137.427   7.0322  131.853   7.2127 5.574020 10.07350 
1 1 1   13    7   73 o  103.318   5.4767   74.965   7.6589   70.464   10.769   79.571   10.895  100.087   7.9400  106.548   7.5454 -6.460823 10.95342 
1 1 1   13    7   74 o   52.489   7.8166   21.326   5.7075   33.237   8.0573   9.3288   8.0860   68.387   8.6942   36.590   12.993 31.79752 15.63321 
1 1 1   13    7   75 o   78.468   8.3914   46.664   7.7754   47.455   9.2679   44.783   14.288   81.750   8.3659   75.187   14.549 6.562828 16.78282 
1 1 1   13    7   76 o   39.138   9.0723   11.479   5.6091   9.2844   7.8960   13.716   7.9696   36.197   12.841   42.078   12.820 -5.881275 18.14469 
1 1 1   13    7   77 o   66.424   9.1098   36.057   7.5063   28.122   12.688   40.329   9.3103   58.066   15.734   74.782   9.1873 -16.71583 18.21953 
1 1 1   13    7   78 o   32.279   9.2358   5.2408   6.2181   2.9716   10.188   6.5881   7.8499   31.804   13.523   32.755   12.583 -0.9508667 18.47150 
1 1 1   13    7   79 o   55.383   12.298   24.150   8.9895   0.0000   0.0000   24.150   8.9895  ?   ?    55.383   12.298      ?      ? 
1 1 1   13    7   80 o   71.298   10.111   37.666   9.7687   0.0000   0.0000   37.666   9.7687  ?   ?    71.298   10.111      ?      ? 
1 1 1   13    7   81 o   32.739   9.7769   3.6338   7.7106   8.7066   10.600  -2.0673   11.237   36.355   14.427   29.123   13.199 7.231943 19.55370 
1 1 1   13    7   82 o   44.539   10.918   16.533   8.1862   11.440   11.036   22.762   12.206   38.742   14.910   50.335   15.952 -11.59308 21.83510 
1 1 1   13    7   83 o   34.266   10.214   6.3184   8.1023   6.6177   11.553   6.0287   11.366   34.553   14.531   33.979   14.357 0.5735741 20.42753 
1 1 1   13    7   84 o   33.811   10.134   5.5180   8.2511   10.995   11.765   0.2169   11.575   37.672   15.116   29.950   13.500 7.722101 20.26718 
1 1 1   13    7   85 o   34.705   10.132   6.2376   8.3840  -3.5692   11.870   16.002   11.844   27.880   12.969   41.530   15.569 -13.65025 20.26305 
1 1 1   13    7   86 o   38.840   10.951   13.639   8.7656   17.069   12.461   10.279   12.333   41.624   15.885   36.056   15.079 5.568001 21.90260 
1 1 1   13    8    0 o  480.784   7.7155  1569.83   47.181  1563.29   82.351  1573.03   57.564  479.935   12.662  481.633   8.8197 -1.698059 15.43100 
1 1 1   13    8    1 o  441.216   7.2990  1324.35   40.955  1309.34   71.373  1331.71   50.008  439.261   11.990  443.170   8.3269 -3.909821 14.59810 
1 1 1   13    8    2 o  441.458   8.3234  1321.46   49.793   0.0000   0.0000  1321.46   49.793  ?   ?   441.458   8.3234      ?      ? 
1 1 1   13    8    3 o  636.344   7.6611  2747.11   66.063  2771.38   93.701  2723.12   93.155  639.139   10.818  633.548   10.850 5.591125 15.32222 
1 1 1   13    8    4 o  565.250   6.9851  2166.54   53.497  2216.05   76.411  2118.93   74.923  571.584   9.8649  558.916   9.8920 12.66785 13.97024 
1 1 1   13    8    5 o  582.263   7.1587  2293.71   56.410  2433.06   82.319  2170.33   77.454  598.892   10.143  565.635   10.105 33.25635 14.31732 
1 1 1   13    8    6 o  599.955   7.3270  2435.64   59.489  2319.65   81.587  2567.30   86.926  584.749   10.296  615.161   10.427 -30.41241 14.65397 
1 1 1   13    8    7 o  517.708   6.5425  1817.68   45.896  1849.00   65.242  1787.00   64.577  522.124   9.2209  513.292   9.2839 8.832092 13.08496 
1 1 1   13    8    8 o  355.378   6.4838  847.541   28.836  833.399   34.530  880.127   52.416  350.599   7.2679  360.157   10.740 -9.557831 12.96764 
1 1 1   13    8    9 f  460.861   7.5528  1463.52   44.314  1509.35   54.543  1374.51   76.010  471.759   8.5317  449.962   12.466 21.79755 15.10565 
1 1 1   13    8   10 o  365.485   6.1811  891.146   25.519  879.430   28.874  932.952   54.542  360.185   5.9156  370.785   10.855 -10.60016 12.36216 
1 1 1   13    8   11 o  411.606   6.6402  1160.30   31.474  1170.37   36.102  1128.38   64.257  415.495   6.4118  407.717   11.630 7.778564 13.28034 
1 1 1   13    8   12 o  505.706   7.5303  1726.70   43.787  1718.94   50.025  1752.13   90.549  503.494   7.3318  507.918   13.156 -4.424347 15.06064 
1 1 1   13    8   13 o  408.136   6.5289  1089.33   29.981  1058.76   33.754  1203.60   65.257  395.187   6.3028  421.084   11.436 -25.89700 13.05785 
1 1 1   13    8   14 o  314.099   5.7837  665.311   20.522  662.254   23.269  676.013   43.540  312.566   5.4936  315.631   10.180 -3.064392 11.56732 
1 1 1   13    8   15 o  751.754   10.264  3876.48   90.456  3912.34  104.664  3770.62  179.814  759.288   10.172  744.219   17.830 15.06879 20.52711 
1 1 1   13    8   16 o  766.074   11.024  4009.22  107.557  4044.00  131.642  3939.39  186.544  771.598   12.590  760.550   18.100 11.04773 22.04773 
1 1 1   13    8   17 o  372.148   6.6105  939.135   30.536  938.241   36.476  941.230   55.829  371.959   7.2366  372.337   11.065 -0.3785095 13.22110 
1 1 1   13    8   18 o  508.044   8.0375  1776.59   51.766  1822.67   63.370  1684.17   89.747  518.290   9.0225  497.798   13.304 20.49118 16.07498 
1 1 1   13    8   19 o  484.936   7.3618  1604.46   41.282  1611.83   47.394  1581.30   84.047  487.506   7.1739  482.366   12.858 5.139099 14.72366 
1 1 1   13    8   20 o  483.924   7.3470  1598.32   41.102  1606.00   47.183  1574.17   83.698  486.610   7.1552  481.238   12.834 5.372772 14.69407 
1 1 1   13    8   21 o  182.073   5.2293  224.617   10.361  224.446   11.597  225.293   23.062  181.962   4.7032  182.184   9.3414 -0.2213898 10.45859 
1 1 1   13    8   22 o  322.694   5.8605  703.451   21.457  700.841   24.378  712.422   45.204  321.503   5.5954  323.885   10.299 -2.381470 11.72098 
1 1 1   13    8   23 o  194.800   4.2458  257.536   11.199  265.673   15.709  249.126   15.970  197.936   5.8567  191.665   6.1488 6.270782 8.491680 
1 1 1   13    8   24 o  168.785   4.1634  192.911   9.5121  187.609   13.081  198.861   13.857  166.329   5.8035  171.241   5.9712 -4.911362 8.326871 
1 1 1   13    8   25 o  432.682   7.2537  1272.74   39.549  1273.97   47.842  1270.07   70.286  433.235   8.1489  432.129   12.002 1.105469 14.50740 
1 1 1   13    8   26 f  250.387   5.8358  434.654   18.070  448.655   21.717  403.147   32.578  257.183   6.2312  243.591   9.8691 13.59209 11.67159 
1 1 1   13    8   27 o  469.708   7.3991  1479.56   44.192  1442.76   53.567  1557.97   78.198  460.939   8.5757  478.478   12.060 -17.53836 14.79824 
1 1 1   13    8   28 o  473.511   7.4745  1522.01   45.307  1516.74   55.562  1532.46   78.269  472.563   8.6764  474.458   12.173 -1.895142 14.94892 
1 1 1   13    8   29 o  377.524   5.3980  967.826   27.609  989.489   38.948  945.948   39.142  381.781   7.5281  373.267   7.7382 8.514618 10.79592 
1 1 1   13    8   30 o  180.141   4.2612  219.751   10.391  211.656   14.290  228.833   15.136  176.630   5.9702  183.652   6.0818 -7.022980 8.522416 
1 1 1   13    8   31 o  105.554   5.3660   76.325   7.4537   72.751   11.925   78.617   9.5491  103.479   8.5037  107.629   6.5471 -4.150719 10.73209 
1 1 1   13    8   32 o  199.820   8.2675  271.276   22.387   0.0000   0.0000  271.276   22.387  ?   ?   199.820   8.2675      ?      ? 
1 1 1   13    8   33 o  133.358   4.4191  120.502   7.9691  117.872   10.870  123.558   11.717  131.793   6.0865  134.923   6.4085 -3.129837 8.838203 
1 1 1   13    8   35 o  413.765   5.7050  1163.34   31.980  1201.27   45.506  1126.32   44.951  420.440   7.9870  407.090   8.1483 13.35013 11.40999 
1 1 1   13    8   36 o  302.979   7.0880  620.052   28.975  572.143   38.831  680.232   43.522  289.900   9.8845  316.057   10.161 -26.15753 14.17598 
1 1 1   13    8   37 o  273.754   5.7155  496.508   19.987  547.903   35.404  472.466   24.214  283.752   9.2072  263.755   6.7747 19.99649 11.43102 
1 1 1   13    8   38 o  152.427   4.3237  157.480   8.9193  152.919   12.243  162.639   13.020  150.084   6.0198  154.771   6.2079 -4.687241 8.647311 
1 1 1   13    8   39 f   86.713   5.0556   51.354   5.9094   54.849   8.1445   47.470   8.5873   89.859   6.6883   83.567   7.5830 6.292778 10.11118 
1 1 1   13    8   40 o  106.040   4.7101   76.260   6.7612   73.691   9.3045   79.133   9.8417  104.155   6.5922  107.926   6.7292 -3.771317 9.420158 
1 1 1   13    8   41 o  203.547   4.4042  280.381   12.126  260.661   16.604  302.920   17.751  195.902   6.2545  211.191   6.2025 -15.28831 8.808454 
1 1 1   13    8   42 o  209.813   5.3642  297.546   14.594  305.651   24.654  293.174   18.108  211.890   8.5861  207.735   6.4324 4.154800 10.72831 
1 1 1   13    8   43 o  217.153   5.3635  317.635   15.157  331.779   25.497  309.905   18.849  220.745   8.5235  213.560   6.5130 7.185074 10.72697 
1 1 1   13    8   44 o  272.711   5.9660  505.021   20.325  502.804   24.382  510.069   36.795  271.994   6.6151  273.429   9.9304 -1.435089 11.93199 
1 1 1   13    8   45 o  108.580   4.8564   79.567   7.1006   67.956   9.6359   93.364   10.504   99.962   7.1133  117.198   6.6135 -17.23597 9.712794 
1 1 1   13    8   46 o  179.572   4.4410  218.402   10.789  203.967   14.780  234.863   15.784  173.241   6.2958  185.902   6.2652 -12.66104 8.882042 
1 1 1   13    8   47 o  273.231   4.7890  507.846   17.719  531.948   25.116  483.963   25.002  279.709   6.6260  266.754   6.9163 12.95499 9.578060 
1 1 1   13    8   48 o  204.284   6.5882  283.769   18.238   0.0000   0.0000  283.769   18.238  ?   ?   204.284   6.5882      ?      ? 
1 1 1   13    8   49 o  219.206   6.4786  327.190   19.129  280.340   26.377  379.168   27.783  202.612   9.6068  235.800   8.6947 -33.18881 12.95720 
1 1 1   13    8   50 f  228.870   5.8253  366.780   17.142  324.037   28.277  391.617   21.555  217.798   9.5807  239.942   6.6291 -22.14403 11.65054 
1 1 1   13    8   51 o  210.064   6.5438  300.186   18.628   0.0000   0.0000  300.186   18.628  ?   ?   210.064   6.5438      ?      ? 
1 1 1   13    8   52 o  180.502   4.5574  221.646   11.145  220.771   15.577  222.564   15.952  180.144   6.3810  180.860   6.5088 -0.7153168 9.114880 
1 1 1   13    8   53 o  221.066   6.4749  332.597   19.397  332.597   19.397   0.0000   0.0000  221.066   6.4749  ?   ?       ?      ? 
1 1 1   13    8   54 o  152.702   4.6269  158.708   9.5728  155.144   13.401  162.423   13.680  150.951   6.5510  154.453   6.5358 -3.502121 9.253764 
1 1 1   13    8   55 o  132.708   4.7768  120.134   8.5805  125.354   12.049  114.762   12.222  135.659   6.5541  129.758   6.9509 5.900253 9.553618 
1 1 1   13    8   56 o  132.462   4.7965  119.659   8.5999  127.065   12.226  112.405   12.100  136.541   6.6073  128.383   6.9548 8.158447 9.592973 
1 1 1   13    8   57 o  163.486   4.6523  182.065   10.299  172.026   14.331  192.786   14.809  158.818   6.6589  168.154   6.4989 -9.336288 9.304625 
1 1 1   13    8   58 o  115.422   5.0273   91.074   7.8158  104.497   11.225   78.444   10.889  123.736   6.6945  107.108   7.5020 16.62788 10.05468 
1 1 1   13    8   59 f   32.723   8.4986   4.6424   5.3256   10.539   7.6927  -0.7850   7.3801   39.320   12.685   26.125   11.314 13.19494 16.99729 
1 1 1   13    8   60 o  131.576   7.0278  119.656   12.519  121.028   17.403  118.185   18.024  132.419   9.6980  130.733   10.174 1.685318 14.05556 
1 1 1   13    8   61 o  101.409   7.1050   73.222   9.0422   77.037   11.072   65.582   15.669  105.939   7.7122   96.879   11.935 9.059471 14.21004 
1 1 1   13    8   62 o   99.450   5.3427   67.910   7.1981   70.212   10.296   65.710   10.067  101.104   7.5149   97.795   7.5964 3.309547 10.68543 
1 1 1   13    8   63 o   50.597   8.3806   18.653   5.6455   19.794   8.1314   17.591   7.8442   52.111   11.790   49.083   11.914 3.028858 16.76130 
1 1 1   13    8   64 o   64.374   6.8840   28.880   6.0035   28.334   8.5353   29.415   8.4458   63.745   9.8808   65.003   9.5880 -1.258392 13.76807 
1 1 1   13    8   65 o   99.517   6.7863   68.508   8.6431   71.110   15.010   67.217   10.572  100.448   11.027   98.587   7.9130 1.860748 13.57251 
1 1 1   13    8   66 o   51.921   10.401   20.451   7.9247   13.706   11.622   26.313   10.834   44.610   15.600   59.231   13.760 -14.62078 20.80130 
1 1 1   13    8   67 o   55.890   7.9238   22.922   5.7917   24.790   8.2562   21.113   8.1267   58.300   10.850   53.479   11.551 4.821560 15.84761 
1 1 1   13    8   68 o   59.415   7.6609   25.657   5.9846   30.602   8.5507   20.910   8.3789   65.877   9.5783   52.954   11.959 12.92293 15.32186 
1 1 1   13    8   69 o   51.916   8.3493   20.192   5.7568   22.920   8.2010   17.542   8.0828   55.601   11.270   48.231   12.322 7.370090 16.69857 
1 1 1   13    8   70 o   69.050   6.6556   33.835   6.2219   31.991   8.7463   35.724   8.8527   67.075   9.6223   71.026   9.1977 -3.950218 13.31113 
1 1 1   13    8   71 o   90.637   5.7023   57.704   6.9649   50.011   9.6615   66.029   10.050   84.183   8.4691   97.091   7.6382 -12.90814 11.40469 
1 1 1   13    8   72 o   91.492   5.7654   58.778   7.1210   52.130   9.7427   66.404   10.434   85.864   8.3731   97.120   7.9280 -11.25569 11.53088 
1 1 1   13    8   73 o   75.269   6.5160   40.450   6.6360   37.512   9.1686   43.684   9.6170   72.344   9.3522   78.194   9.0758 -5.849342 13.03202 
1 1 1   13    8   74 o   81.890   7.6401   50.425   8.0336   44.135   13.100   54.217   10.171   76.555   12.627   87.224   8.6046 -10.66890 15.28027 
1 1 1   13    8   75 o   47.753   10.002   18.141   8.0968   29.094   10.746   3.7556   12.315   60.706   13.419   34.800   14.834 25.90668 20.00323 
1 1 1   13    8   76 f   66.472   10.077   36.522   8.9741   45.258   12.093   25.814   13.388   77.865   11.461   55.079   16.579 22.78591 20.15494 
1 1 1   13    8   77 o   53.507   8.9661   24.935   7.1754   8.8284   11.575   34.987   9.1442   37.790   15.051   69.225   9.7477 -31.43485 17.93222 
1 1 1   13    8   78 o   53.790   9.8306   24.967   7.3260   17.736   12.201   29.043   9.1612   46.205   15.993   61.375   11.436 -15.17069 19.66113 
1 1 1   13    8   79 o   76.829   10.201   48.655   10.216   31.085   14.085   68.159   14.840   59.108   16.795   94.549   11.583 -35.44055 20.40155 
1 1 1   13    8   80 o   38.037   15.404   9.5888   12.340   0.0000   0.0000   9.5888   12.340  ?   ?    38.037   15.404      ?      ? 
1 1 1   13    8   81 o   40.713   10.855   12.073   8.7223   3.5713   12.167   21.062   12.511   33.180   14.447   48.246   16.206 -15.06638 21.71086 
1 1 1   13    8   82 o   30.988   9.6195   0.4750   8.0579  -6.6500   11.127   8.3311   11.684   26.122   12.282   35.854   14.808 -9.732920 19.23890 
1 1 1   13    8   83 o   31.814   9.7607   1.0138   8.2784  -8.3425   11.340   11.691   12.114   25.383   12.072   38.245   15.341 -12.86171 19.52134 
1 1 1   13    8   84 o   41.467   11.196   16.120   8.7789   17.782   12.425   14.463   12.406   42.956   15.977   39.979   15.689 2.977158 22.39254 
1 1 1   13    8   85 o   45.777   11.167   20.994   8.9002   12.992   12.561   29.063   12.613   38.038   15.491   53.516   16.088 -15.47814 22.33381 
1 1 1   13    9    0 o  468.029   6.1476  1481.90   38.941  1577.97   56.711  1396.19   53.564  482.346   8.6761  453.711   8.7119 28.63452 12.29521 
1 1 1   13    9    1 o  481.051   6.2616  1568.09   40.798  1521.25   56.612  1618.70   58.847  473.586   8.8212  488.515   8.8892 -14.92902 12.52327 
1 1 1   13    9    2 o  284.322   4.7190  548.026   18.179  545.873   25.454  550.266   25.972  283.754   6.6196  284.890   6.7274 -1.136749 9.438064 
1 1 1   13    9    3 o  539.466   6.7945  1967.25   49.581  2110.79   72.707  1842.48   67.788  557.792   9.6189  521.138   9.5988 36.65399 13.58896 
1 1 1   13    9    4 o  529.335   8.2848  1910.32   55.975  1877.48   96.692  1926.87   68.648  525.728   13.572  532.942   9.5053 -7.213867 16.56962 
1 1 1   13    9    5 o  454.118   7.4822  1402.39   43.222  1391.02   75.343  1407.97   52.769  452.620   12.284  455.616   8.5467 -2.995422 14.96441 
1 1 1   13    9    6 o  461.562   8.6321  1445.01   53.992   0.0000   0.0000  1445.01   53.992  ?   ?   461.562   8.6321      ?      ? 
1 1 1   13    9    7 o  582.376   8.8148  2363.23   67.192  2036.39  105.506  2586.24   87.152  547.421   14.222  617.331   10.418 -69.91034 17.62968 
1 1 1   13    9    8 o  668.171   11.330  3031.74  102.446  2952.02  140.476  3122.31  149.726  658.849   15.734  677.493   16.308 -18.64404 22.66084 
1 1 1   13    9    9 o  673.531   9.9427  3103.23   85.089  3142.15  104.011  3024.46  147.953  680.321   11.282  666.741   16.375 13.58057 19.88531 
1 1 1   13    9   10 o  510.374   8.0767  1777.15   51.970  1792.24   63.014  1745.06   91.901  513.973   9.0472  506.774   13.382 7.199615 16.15332 
1 1 1   13    9   11 o  470.183   7.2707  1517.51   39.527  1533.50   45.444  1467.84   80.104  475.542   7.0519  464.824   12.717 10.71796 14.54140 
1 1 1   13    9   12 o  690.909   9.5675  3212.67   76.224  3184.32   87.111  3305.30  157.464  685.026   9.3839  696.792   16.676 -11.76630 19.13509 
1 1 1   13    9   13 o  619.764   8.8190  2631.88   63.688  2653.50   73.450  2566.35  127.849  625.380   8.6669  614.148   15.362 11.23151 17.63798 
1 1 1   13    9   14 o  480.210   7.3292  1557.68   40.351  1550.79   46.041  1580.49   83.787  478.185   7.1051  482.234   12.821 -4.049164 14.65843 
1 1 1   13    9   15 o  364.953   6.2148  879.461   25.483  861.029   28.721  947.674   55.250  356.355   5.9474  373.552   10.914 -17.19632 12.42968 
1 1 1   13    9   16 o  221.460   5.3577  328.263   12.957  325.262   14.491  340.229   28.939  219.046   4.8819  223.875   9.5388 -4.829620 10.71549 
1 1 1   13    9   17 o  629.815   8.9126  2676.78   64.744  2658.78   74.038  2735.30  133.469  625.906   8.7290  633.724   15.542 -7.818359 17.82522 
1 1 1   13    9   18 o  507.314   7.6020  1740.93   44.319  1734.33   50.632  1762.56   91.655  505.616   7.3895  509.012   13.288 -3.395721 15.20407 
1 1 1   13    9   19 o  224.852   5.3095  331.428   13.100  323.643   14.626  362.997   29.453  218.490   4.9397  231.216   9.4001 -12.72615 10.61896 
1 1 1   13    9   20 o  407.130   6.7040  1149.40   31.490  1171.92   36.258  1080.26   63.531  415.667   6.4369  398.594   11.762 17.07269 13.40792 
1 1 1   13    9   21 o  503.877   7.3831  1722.80   50.414  1722.80   50.414   0.0000   0.0000  503.877   7.3831  ?   ?       ?      ? 
1 1 1   13    9   22 o  240.790   6.2108  393.280   20.266  393.280   20.266   0.0000   0.0000  240.790   6.2108  ?   ?       ?      ? 
1 1 1   13    9   23 o  147.339   5.8388  147.240   11.658  147.240   11.658   0.0000   0.0000  147.339   5.8388  ?   ?       ?      ? 
1 1 1   13    9   24 o  197.197   5.5044  259.326   13.285  253.368   15.631  274.828   25.213  193.266   5.9681  201.127   9.2507 -7.860947 11.00877 
1 1 1   13    9   25 f  233.645   5.3242  365.683   13.903  361.992   15.677  379.276   30.086  231.043   5.0071  236.247   9.3977 -5.204514 10.64837 
1 1 1   13    9   26 o  175.152   4.2166  208.317   9.9987  216.727   14.052  199.694   14.230  178.741   5.8015  171.562   6.1206 7.178879 8.433237 
1 1 1   13    9   27 o  294.586   4.7645  589.134   19.014  604.181   26.840  573.974   26.941  298.371   6.6380  290.802   6.8365 7.568817 9.528942 
1 1 1   13    9   28 o  327.095   4.9912  725.703   22.111  708.656   30.644  744.217   31.936  323.096   6.9990  331.093   7.1178 -7.996796 9.982436 
1 1 1   13    9   29 o  261.134   4.5762  462.546   16.185  454.809   22.462  470.903   23.343  258.868   6.4030  263.399   6.5397 -4.530884 9.152352 
1 1 1   13    9   30 o  179.661   4.2863  219.039   10.429  218.829   14.484  219.265   15.028  179.577   5.9519  179.746   6.1696 -0.1686554 8.572532 
1 1 1   13    9   31 o  367.878   7.7214  920.764   38.452  900.187   52.949  943.726   55.932  363.564   10.747  372.191   11.090 -8.627075 15.44273 
1 1 1   13    9   32 o  398.002   8.0584  1080.21   43.442  1097.72   60.826  1061.97   62.064  401.341   11.184  394.664   11.605 6.676666 16.11673 
1 1 1   13    9   33 o  240.702   6.5402  393.380   21.333   0.0000   0.0000  393.380   21.333  ?   ?   240.702   6.5402      ?      ? 
1 1 1   13    9   34 o  268.405   4.6727  488.904   16.986  480.721   23.552  497.775   24.521  266.072   6.5319  270.737   6.6837 -4.664673 9.345420 
1 1 1   13    9   35 o  458.386   7.4102  1427.96   43.682  1444.86   74.832  1419.23   53.799  460.022   12.004  456.750   8.6919 3.271851 14.82039 
1 1 1   13    9   36 o  387.230   7.6552  1022.62   40.170  1025.79   56.762  1019.43   56.856  387.838   10.800  386.622   10.852 1.216278 15.31034 
1 1 1   13    9   37 o  213.130   5.2687  303.704   14.469  293.008   17.739  324.967   25.011  207.713   6.3021  218.548   8.4452 -10.83496 10.53744 
1 1 1   13    9   38 f   70.141   6.7703   33.371   6.2842   34.209   10.090   32.839   8.0325   70.818   10.514   69.464   8.5330 1.354095 13.54061 
1 1 1   13    9   39 f  201.613   5.2903  274.625   13.870  282.636   23.292  270.223   17.265  203.781   8.4345  199.446   6.3881 4.334686 10.58060 
1 1 1   13    9   40 o  241.864   4.5688  396.263   14.951  376.053   20.454  419.450   21.908  235.266   6.4155  248.461   6.5067 -13.19482 9.137606 
1 1 1   13    9   41 o  144.906   4.4782  143.225   8.7548  156.643   12.276  129.338   12.489  151.862   5.9653  137.950   6.6807 13.91219 8.956335 
1 1 1   13    9   42 f  199.249   4.4760  270.143   12.068  282.991   16.925  256.854   17.213  204.094   6.1194  194.404   6.5339 9.689713 8.951982 
1 1 1   13    9   43 o  229.717   4.5718  357.503   14.209  335.323   19.468  382.785   20.785  222.117   6.4678  237.317   6.4630 -15.20000 9.143504 
1 1 1   13    9   44 o   88.850   6.9710   49.413   7.5629   44.291   8.7563   64.456   15.006   80.651   8.0117   97.048   11.410 -16.39661 13.94190 
1 1 1   13    9   45 o  139.500   5.4572  132.725   9.7965  133.258   12.104  131.712   16.680  140.011   6.3795  138.988   8.8558 1.023148 10.91438 
1 1 1   13    9   46 o  221.742   5.5925  342.046   15.853  358.121   19.687  312.392   26.739  229.518   6.3296  213.967   9.2218 15.55171 11.18507 
1 1 1   13    9   47 o  204.993   4.5452  284.647   12.602  266.446   17.205  305.712   18.510  197.952   6.4138  212.034   6.4419 -14.08192 9.090332 
1 1 1   13    9   48 o  194.891   4.5340  258.299   11.966  258.049   16.614  258.569   17.250  194.806   6.2935  194.976   6.5285 -0.1699371 9.068026 
1 1 1   13    9   49 o   67.542   6.5567   31.119   5.9903   28.585   8.3190   33.847   8.6330   64.678   9.4915   70.406   9.0483 -5.728462 13.11336 
1 1 1   13    9   50 o   59.104   8.8579   27.226   6.7161   15.966   11.325   33.334   8.3409   48.338   15.370   69.870   8.8093 -21.53184 17.71571 
1 1 1   13    9   51 o   94.603   5.4118   61.029   6.9364   59.661   9.8194   62.392   9.7997   93.537   7.7467   95.669   7.5589 -2.131691 10.82353 
1 1 1   13    9   52 o   36.948   8.6578   8.1782   5.3868   2.9456   7.5569   13.584   7.6809   30.088   12.100   43.809   12.386 -13.72137 17.31562 
1 1 1   13    9   53 o  125.583   4.8562  107.658   8.2467  115.310   11.633   99.927   11.692  130.105   6.5981  121.062   7.1271 9.042862 9.712347 
1 1 1   13    9   54 o   92.447   5.5454   58.491   6.9341   60.912   9.6571   55.915   9.9628   94.453   7.5448   90.440   8.1290 4.013062 11.09070 
1 1 1   13    9   55 o   85.975   5.7510   50.484   6.6942   47.842   9.2583   53.378   9.6905   83.618   8.1705   88.331   8.0956 -4.713219 11.50202 
1 1 1   13    9   56 o  115.679   5.1003   91.364   7.9823   84.358   11.127   98.792   11.458  111.090   7.3912  120.269   7.0302 -9.178963 10.20065 
1 1 1   13    9   57 o  163.135   5.7117  182.559   12.004  181.951   20.398  182.880   14.848  162.634   9.2552  163.636   6.6959 -1.001862 11.42339 
1 1 1   13    9   58 o  140.278   4.8795  134.336   9.2405  118.842   12.786  151.277   13.370  131.776   7.1599  148.780   6.6312 -17.00473 9.759001 
1 1 1   13    9   59 o  105.785   5.2907   76.677   7.5807   73.547   10.563   80.002   10.886  103.552   7.5273  108.017   7.4368 -4.464638 10.58140 
1 1 1   13    9   60 o   39.800   8.9180   10.945   5.4225   9.2235   7.5224   12.806   7.8236   37.252   12.566   42.349   12.657 -5.097031 17.83591 
1 1 1   13    9   61 o   90.156   7.9839   62.491   8.2670   70.129   9.9991   45.993   14.696  101.027   7.3037   79.284   14.199 21.74280 15.96771 
1 1 1   13    9   62 o   71.729   8.2963   39.389   7.1575   44.731   8.8873   29.529   12.074   80.476   8.1493   62.982   14.453 17.49348 16.59262 
1 1 1   13    9   63 o   95.187   6.6639   64.594   8.0846   67.874   10.038   58.536   13.640   99.200   7.4669   91.174   11.040 8.025803 13.32784 
1 1 1   13    9   64 o   63.319   7.3064   28.974   6.0114   34.351   8.3990   23.327   8.6077   70.237   8.8242   56.402   11.648 13.83534 14.61278 
1 1 1   13    9   65 o   58.437   7.7526   24.912   5.9478   30.269   8.3838   19.484   8.4393   65.707   9.4156   51.167   12.319 14.53997 15.50512 
1 1 1   13    9   66 o  120.386   6.2773  102.829   9.7263   97.052   16.275  106.038   12.131  117.060   10.260  123.714   7.2359 -6.653946 12.55464 
1 1 1   13    9   67 o   72.022   6.7170   36.660   6.5235   41.354   9.3464   32.201   9.1094   76.672   8.9956   67.373   9.9776 9.299026 13.43400 
1 1 1   13    9   68 o   57.745   7.9872   24.893   6.0802   15.574   8.4666   34.818   8.7370   45.320   13.067   70.169   9.1883 -24.84972 15.97433 
1 1 1   13    9   69 o   44.443   8.7726   14.733   5.7145   9.2783   7.9335   20.615   8.2380   36.680   12.885   52.205   11.908 -15.52505 17.54516 
1 1 1   13    9   70 o   31.987   8.7463   5.4164   5.3771   3.7968   7.1611   7.5101   8.1417   29.386   11.793   34.588   12.920 -5.202539 17.49256 
1 1 1   13    9   71 o   58.149   9.2725   27.106   7.2251   19.991   11.417   31.859   9.3315   49.991   15.365   66.307   10.385 -16.31599 18.54509 
1 1 1   13    9   72 o   41.027   9.9476   12.172   6.4746   14.767   10.746   10.693   8.1125   43.848   15.018   38.205   13.049 5.642776 19.89527 
1 1 1   13    9   73 o   44.441   10.064   14.666   6.6118   19.269   11.247   12.235   8.1735   48.773   15.293   40.109   13.086 8.664757 20.12741 
1 1 1   13    9   74 o   39.412   9.6313   11.759   6.4738   6.5272   10.620   14.852   8.1666   35.300   14.292   43.524   12.914 -8.224144 19.26261 
1 1 1   13    9   75 o   40.850   9.8463   11.737   6.5872   18.465   10.456   7.3085   8.4821   47.592   14.717   34.108   13.085 13.48383 19.69268 
1 1 1   13    9   76 o   54.894   15.584   25.482   12.134   25.482   12.134   0.0000   0.0000   54.894   15.584  ?   ?       ?      ? 
1 1 1   13    9   77 o   51.476   16.198   22.951   12.605   22.951   12.605   0.0000   0.0000   51.476   16.198  ?   ?       ?      ? 
1 1 1   13    9   78 o   38.710   10.600   8.8959   8.5155   18.370   12.270   0.0916   11.828   46.301   16.038   31.118   13.865 15.18241 21.20040 
1 1 1   13    9   79 o   74.200   10.506   46.667   10.195   45.284   14.310   48.093   14.529   72.928   14.981   75.471   14.734 -2.543228 21.01287 
1 1 1   13    9   80 o   54.025   11.813   27.223   9.5310   29.668   13.850   25.023   13.136   56.214   16.850   51.835   16.561 4.378620 23.62578 
1 1 1   13    9   81 o   32.351   14.134   3.6409   11.734   0.0000   0.0000   3.6409   11.734  ?   ?    32.351   14.134      ?      ? 
1 1 1   13    9   82 f   21.046   10.387 -18.0215   10.701 -18.0215   10.701   0.0000   0.0000   21.046   10.387  ?   ?       ?      ? 
1 1 1   13   10    0 o  587.577   8.9945  2336.30   66.781  2320.07   80.819  2371.21  118.568  584.655   10.201  590.498   14.817 -5.843018 17.98899 
1 1 1   13   10    1 o  422.963   7.2997  1236.77   39.186  1281.72   48.160  1148.71   67.406  434.687   8.1758  411.239   12.095 23.44736 14.59934 
1 1 1   13   10    2 o  205.587   4.4431  286.912   12.363  297.243   17.288  276.099   17.688  209.383   6.0930  201.790   6.4682 7.592361 8.886106 
1 1 1   13   10    3 o  265.380   4.6734  477.318   16.767  523.468   24.060  433.744   23.379  277.852   6.3900  252.909   6.8214 24.94330 9.346846 
1 1 1   13   10    4 o  215.478   4.4344  315.291   12.926  334.313   18.197  295.916   18.366  222.054   6.0473  208.903   6.4875 13.15089 8.868892 
1 1 1   13   10    5 o  254.566   4.6030  439.760   15.861  463.759   22.430  415.756   22.433  261.523   6.3290  247.608   6.6854 13.91508 9.206023 
1 1 1   13   10    6 o  250.567   4.5936  425.629   15.580  423.425   21.510  428.061   22.599  249.889   6.3519  251.244   6.6375 -1.355255 9.187135 
1 1 1   13   10    7 f  458.680   6.0713  1427.21   37.728  1472.21   53.773  1383.57   52.949  465.805   8.5187  451.555   8.6529 14.25027 12.14257 
1 1 1   13   10    8 o  210.062   4.4279  296.782   12.553  269.171   16.890  330.855   18.763  199.236   6.2557  220.888   6.2682 -21.65173 8.855766 
1 1 1   13   10    9 o  191.162   5.3257  234.514   10.858  226.770   11.986  269.973   25.647  182.899   4.8358  199.425   9.4903 -16.52623 10.65132 
1 1 1   13   10   10 o  459.994   7.1612  1417.50   37.449  1401.64   42.507  1472.53   79.154  454.590   6.9001  465.397   12.551 -10.80722 14.32241 
1 1 1   13   10   11 o  513.174   7.7194  1805.15   45.871  1820.34   52.748  1758.06   92.908  517.997   7.5144  508.351   13.487 9.645599 15.43887 
1 1 1   13   10   12 o  254.862   5.9254  443.516   18.661  447.451   22.273  434.248   34.181  256.857   6.3988  252.868   9.9749 3.988632 11.85087 
1 1 1   13   10   13 o  235.858   6.2465  377.278   19.965  377.278   19.965   0.0000   0.0000  235.858   6.2465  ?   ?       ?      ? 
1 1 1   13   10   14 o  391.317   7.7522  1039.11   41.109  1039.11   41.109   0.0000   0.0000  391.317   7.7522  ?   ?       ?      ? 
1 1 1   13   10   15 o  462.141   8.5876  1449.91   53.781  1449.91   53.781   0.0000   0.0000  462.141   8.5876  ?   ?       ?      ? 
1 1 1   13   10   16 o  335.107   7.1144  761.942   32.307  761.942   32.307   0.0000   0.0000  335.107   7.1144  ?   ?       ?      ? 
1 1 1   13   10   17 o  272.228   6.0594  512.237   20.467  526.508   24.628  480.378   36.797  278.588   6.5235  265.869   10.213 12.71872 12.11884 
1 1 1   13   10   18 o  275.131   6.0022  518.097   20.503  524.380   24.580  503.724   37.176  278.016   6.5242  272.246   10.077 5.770233 12.00430 
1 1 1   13   10   19 o  160.409   5.6425  172.051   10.932  168.963   12.770  180.525   21.152  157.825   5.9708  162.993   9.5761 -5.167816 11.28506 
1 1 1   13   10   20 o  163.932   5.3974  186.864   9.5873  189.934   10.764  175.079   21.088  167.365   4.7460  160.500   9.6956 6.865524 10.79489 
1 1 1   13   10   21 o   78.436   6.9334   39.647   5.5508   38.581   6.0598   45.202   13.837   75.414   5.9295   81.459   12.535 -6.045135 13.86682 
1 1 1   13   10   22 o  225.409   5.4071  340.053   13.425  336.586   15.056  353.501   29.652  222.781   4.9872  228.037   9.5956 -5.255875 10.81422 
1 1 1   13   10   23 o  227.635   5.4300  353.948   13.782  355.543   15.583  348.219   29.530  228.963   5.0223  226.308   9.6289 2.655502 10.85998 
1 1 1   13   10   24 o  238.678   5.4344  385.151   14.505  383.826   16.386  389.948   31.176  237.888   5.0830  239.468   9.6069 -1.580109 10.86879 
1 1 1   13   10   25 o  141.982   5.6535  141.335   8.6238  144.307   9.6679  129.765   19.078  145.867   4.8909  138.098   10.194 7.768356 11.30695 
1 1 1   13   10   26 o  224.688   5.5622  350.099   13.859  355.590   15.684  330.543   29.599  228.962   5.0549  220.413   9.9096 8.548904 11.12438 
1 1 1   13   10   27 o  281.864   6.9878  538.464   26.629  509.423   36.189  572.759   39.326  273.623   9.7597  290.104   10.003 -16.48090 13.97566 
1 1 1   13   10   28 o  323.111   6.0381  716.394   22.317  722.263   25.523  697.334   45.993  326.241   5.7732  319.981   10.607 6.260162 12.07620 
1 1 1   13   10   29 o  280.532   6.9930  536.364   26.514  584.748   37.666  488.845   37.328  293.140   9.4819  267.925   10.281 25.21521 13.98591 
1 1 1   13   10   30 o  166.865   5.4959  190.572   11.658  185.312   20.239  193.184   14.262  165.040   9.0495  168.689   6.2389 -3.649078 10.99170 
1 1 1   13   10   31 o  204.671   5.4249  277.320   14.126  305.955   25.224  264.235   17.051  212.072   8.7770  197.270   6.3781 14.80293 10.84976 
1 1 1   13   10   32 o  164.224   4.3323  182.097   9.6104  163.908   13.089  203.370   14.156  155.371   6.2167  173.077   6.0354 -17.70598 8.664507 
1 1 1   13   10   33 o  146.389   5.1237  145.120   9.8293  147.624   16.164  143.651   12.381  147.333   8.0961  145.444   6.2819 1.889450 10.24740 
1 1 1   13   10   34 o  208.598   5.2844  295.955   14.338  295.234   23.884  296.360   17.928  208.303   8.4610  208.892   6.3332 -0.5892944 10.56874 
1 1 1   13   10   35 o  235.747   4.5303  377.607   14.468  381.695   20.267  373.359   20.660  237.058   6.3090  234.437   6.5032 2.620712 9.060589 
1 1 1   13   10   36 o  184.600   4.4099  231.758   11.018  241.905   15.450  221.259   15.716  188.731   6.0409  180.470   6.4261 8.260834 8.819722 
1 1 1   13   10   37 o  155.718   4.4085  164.396   9.2894  159.004   12.731  170.538   13.586  152.999   6.1401  158.438   6.3276 -5.439651 8.816957 
1 1 1   13   10   38 o  156.079   4.4614  165.809   9.4188  172.818   13.123  158.361   13.527  159.503   6.0712  152.655   6.5388 6.848038 8.922742 
1 1 1   13   10   39 o  218.354   6.4864  324.022   19.193   0.0000   0.0000  324.022   19.193  ?   ?   218.354   6.4864      ?      ? 
1 1 1   13   10   40 o  160.525   5.3423  168.690   11.303  204.056   18.840  148.803   14.128  173.127   8.0305  147.923   7.0479 25.20468 10.68466 
1 1 1   13   10   41 f  240.335   5.5371  394.821   17.182  398.613   21.340  387.831   28.973  242.157   6.5029  238.513   8.9638 3.643784 11.07420 
1 1 1   13   10   42 o  177.066   5.2898  208.944   12.102  199.356   14.853  227.889   20.877  171.251   6.4001  182.880   8.4241 -11.62859 10.57954 
1 1 1   13   10   43 o  293.311   6.3167  600.132   23.261  624.489   28.361  550.075   40.657  302.996   6.9072  283.627   10.578 19.36880 12.63348 
1 1 1   13   10   44 o  207.781   5.7426  275.000   14.678  251.404   17.123  340.374   28.501  192.271   6.5719  223.290   9.4191 -31.01929 11.48518 
1 1 1   13   10   45 o  248.580   6.7416  420.365   22.710   0.0000   0.0000  420.365   22.710  ?   ?   248.580   6.7416      ?      ? 
1 1 1   13   10   46 o  122.297   4.8779  101.758   8.0779  101.097   11.188  102.479   11.675  121.892   6.7735  122.703   7.0211 -0.8111801 9.755863 
1 1 1   13   10   47 o  151.657   4.6033  156.412   9.4552  154.567   13.121  158.406   13.637  150.735   6.4234  152.579   6.5956 -1.844055 9.206621 
1 1 1   13   10   48 o  182.935   4.5466  227.413   11.263  219.846   15.569  235.721   16.313  179.751   6.3915  186.119   6.4679 -6.367325 9.093143 
1 1 1   13   10   49 o   71.892   6.4085   35.537   6.1438   27.908   8.5652   43.622   8.8175   63.836   9.9012   79.947   8.1388 -16.11097 12.81691 
1 1 1   13   10   50 o  122.620   6.0277  105.035   9.4619   95.408   15.880  110.334   11.782  117.980   9.9327  127.259   6.8318 -9.278725 12.05534 
1 1 1   13   10   51 o   88.930   5.5976   53.998   6.6936   45.446   9.2712   63.310   9.6740   81.533   8.3911   96.327   7.4110 -14.79388 11.19522 
1 1 1   13   10   52 o   76.611   6.0084   40.183   6.2349   41.338   8.7831   39.010   8.8523   77.735   8.3378   75.486   8.6538 2.248344 12.01690 
1 1 1   13   10   53 o   68.837   8.2918   32.384   7.1632   36.210   12.485   30.506   8.7459   71.046   13.461   66.627   9.6865 4.418930 16.58360 
1 1 1   13   10   54 o   98.029   6.4100   63.227   8.1424   75.453   14.171   57.202   9.9484  104.664   9.9916   91.395   8.0325 13.26983 12.81999 
1 1 1   13   10   55 o  127.592   4.8667  111.147   8.4100  106.287   11.704  116.335   12.093  124.704   6.9256  130.480   6.8393 -5.775719 9.733465 
1 1 1   13   10   56 o   64.381   7.2271   29.126   6.1233   25.287   8.5919   33.089   8.7289   59.474   11.068   69.287   9.2966 -9.813156 14.45420 
1 1 1   13   10   57 o   95.057   5.5723   61.943   7.1712   58.776   9.9079   65.427   10.393   92.506   7.9036   97.608   7.8570 -5.101547 11.14453 
1 1 1   13   10   58 o   21.434   6.8988  -7.5195   4.8919   0.7540   6.6808 -17.0830   7.1828   26.166   11.029   16.702   8.2903 9.463717 13.79761 
1 1 1   13   10   59 o   97.828   6.2801   65.542   7.9677   63.958   9.8732   68.499   13.492   96.428   7.5556   99.228   10.034 -2.800537 12.56028 
1 1 1   13   10   60 o   98.671   6.2226   64.290   8.0289   56.216   9.9031   79.777   13.716   90.224   8.0996  107.117   9.4487 -16.89286 12.44516 
1 1 1   13   10   61 o  119.924   6.5466   98.883   9.6949   97.101   11.506  103.242   18.001  118.737   7.1510  121.112   10.968 -2.375290 13.09316 
1 1 1   13   10   62 o  110.768   6.7050   82.575   9.1699   78.246   10.801   93.748   17.353  106.408   7.4905  115.127   11.123 -8.719200 13.41008 
1 1 1   13   10   63 o   98.916   5.4893   67.625   7.3428   62.024   10.087   73.938   10.709   94.541   7.8736  103.290   7.6509 -8.748795 10.97863 
1 1 1   13   10   64 o   53.653   8.0699   21.541   5.8267   28.332   8.0973   14.249   8.3910   63.473   9.4139   43.833   13.110 19.64036 16.13982 
1 1 1   13   10   65 o   84.233   6.1455   50.261   6.9043   59.933   9.7401   40.493   9.7884   92.755   7.7489   75.710   9.5405 17.04517 12.29096 
1 1 1   13   10   66 o   93.506   7.1498   65.434   8.4648   51.281   13.701   74.173   10.765   83.938   12.045  103.073   7.7071 -19.13567 14.29962 
1 1 1   13   10   67 o   61.265   9.0602   31.584   7.3019   16.162   11.784   41.196   9.3031   46.251   15.727   76.279   9.0000 -30.02800 18.12047 
1 1 1   13   10   68 o   74.916   8.7007   45.263   7.7544   32.414   13.068   52.246   9.6339   63.755   15.317   86.077   8.2591 -22.32200 17.40149 
1 1 1   13   10   69 o   33.363   9.4333   5.1932   6.1556   7.6169   10.632   3.9710   7.5497   36.725   14.489   30.001   12.084 6.724010 18.86652 
1 1 1   13   10   70 o   44.127   9.7231   15.434   6.5657   11.189   10.573   18.098   8.3767   39.998   14.766   48.256   12.654 -8.258289 19.44611 
1 1 1   13   10   71 o   92.934   7.1639   63.694   8.5804   59.325   14.192   66.210   10.772   89.312   11.726   96.556   8.2326 -7.244072 14.32774 
1 1 1   13   10   72 o   75.752   8.5478   44.929   7.9643   38.632   13.250   48.491   9.9658   69.327   14.566   82.177   8.9491 -12.85033 17.09559 
1 1 1   13   10   73 o   34.884   9.0098   6.2263   6.6824  -7.3652   10.607   15.170   8.6046   25.971   12.141   43.797   13.316 -17.82588 18.01955 
1 1 1   13   10   74 o   62.747   10.017   33.403   8.9442   47.486   12.207   17.078   13.143   79.620   11.314   45.874   16.535 33.74573 20.03495 
1 1 1   13   10   75 o   70.477   10.255   39.434   9.6700   26.155   12.803   57.072   14.755   55.029   16.127   85.925   12.672 -30.89547 20.51020 
1 1 1   13   10   76 o   42.460   9.2766   8.7874   8.5763   30.404   11.475 -18.5667   12.908   60.532   14.229   24.388   11.906 36.14441 18.55317 
1 1 1   13   10   77 o   45.102   15.979   17.463   12.224   17.463   12.224   0.0000   0.0000   45.102   15.979  ?   ?       ?      ? 
1 1 1   13   10   78 o   27.139   8.8895  -5.6634   7.9311  -0.1966   10.968 -11.6538   11.482   29.625   13.265   24.653   11.838 4.971895 17.77903 
1 1 1   13   10   79 o   46.885   16.364   20.434   12.786   20.434   12.786   0.0000   0.0000   46.885   16.364  ?   ?       ?      ? 
1 1 1   13   11    0 o  295.631   4.9228  593.100   19.712  603.024   27.588  582.750   28.174  298.165   6.8278  293.097   7.0934 5.067780 9.845562 
1 1 1   13   11    1 o  221.933   5.3446  330.438   15.285  322.424   18.783  346.148   26.298  218.037   6.3569  225.828   8.5935 -7.790436 10.68914 
1 1 1   13   11    2 o  316.252   9.7539  679.215   41.802   0.0000   0.0000  679.215   41.802  ?   ?   316.252   9.7539      ?      ? 
1 1 1   13   11    3 o  258.859   5.5594  455.815   18.458  458.165   22.728  451.262   31.634  259.905   6.4531  257.813   9.0545 2.092194 11.11876 
1 1 1   13   11    4 o  104.745   5.6738   74.184   7.5443   73.679   9.1683   75.243   13.277  104.224   6.4914  105.266   9.3074 -1.042107 11.34754 
1 1 1   13   11    5 f  138.642   6.0646  130.362   11.394  130.362   11.394   0.0000   0.0000  138.642   6.0646  ?   ?       ?      ? 
1 1 1   13   11    6 f  189.022   6.0403  242.322   15.472  242.322   15.472   0.0000   0.0000  189.022   6.0403  ?   ?       ?      ? 
1 1 1   13   11    7 o  217.712   5.8801  314.220   15.408  305.760   17.924  338.171   30.158  212.318   6.2296  223.106   9.9748 -10.78798 11.76025 
1 1 1   13   11    8 o  254.038   5.9017  428.123   18.407  415.184   21.668  461.674   34.891  247.397   6.4630  260.680   9.8768 -13.28352 11.80348 
1 1 1   13   11    9 o  335.042   6.5292  770.647   27.343  784.195   32.996  740.952   48.848  339.953   7.1624  330.130   10.919 9.823853 13.05842 
1 1 1   13   11   10 f  268.941   5.7759  496.987   17.237  501.504   19.478  480.670   37.017  271.947   5.2853  265.936   10.272 6.010254 11.55172 
1 1 1   13   11   11 o  221.937   5.4964  327.523   13.264  323.036   14.797  345.874   29.926  218.266   5.0029  225.608   9.7884 -7.342834 10.99281 
1 1 1   13   11   12 o  153.102   5.7234  168.087   9.1658  173.692   10.228  145.222   20.658  160.053   4.7155  146.151   10.430 13.90111 11.44671 
1 1 1   13   11   13 o   99.969   6.0312   61.985   6.1526   59.214   6.6915   77.138   15.649   93.442   5.2844  106.497   10.843 -13.05474 12.06235 
1 1 1   13   11   14 o  196.980   5.4609  263.333   11.623  263.271   12.981  263.582   26.098  197.040   4.8617  196.920   9.7801 0.1195374 10.92179 
1 1 1   13   11   15 o  212.377   5.4978  303.956   12.643  302.449   14.114  310.074   28.443  211.187   4.9316  213.567   9.8277 -2.379715 10.99566 
1 1 1   13   11   16 o  278.026   5.7932  522.331   17.804  520.394   20.025  529.640   38.895  276.993   5.3347  279.058   10.285 -2.065247 11.58638 
1 1 1   13   11   17 o  247.959   5.5761  409.383   15.186  403.760   17.000  431.595   33.786  243.990   5.1415  251.928   9.8964 -7.937485 11.15228 
1 1 1   13   11   18 o  198.571   5.3573  257.206   11.555  250.483   12.849  285.623   26.417  192.181   4.9337  204.960   9.5112 -12.77945 10.71465 
1 1 1   13   11   19 f  247.004   5.6056  415.073   15.354  415.560   17.312  413.276   33.244  247.521   5.1611  246.487   9.9526 1.034103 11.21122 
1 1 1   13   11   20 o  222.741   5.5100  338.943   13.546  340.366   15.258  333.650   29.433  224.012   5.0262  221.470   9.8070 2.542328 11.01997 
1 1 1   13   11   21 o  255.416   5.7302  452.016   16.290  458.866   18.459  427.896   34.638  260.084   5.2374  250.748   10.194 9.336197 11.46039 
1 1 1   13   11   22 o  362.267   7.7602  893.434   38.039  962.446   54.509  827.917   53.110  375.943   10.699  348.590   11.243 27.35382 15.52035 
1 1 1   13   11   23 o  289.113   7.0701  567.271   27.642  544.643   37.643  593.751   40.721  282.897   9.8191  295.328   10.175 -12.43115 14.14019 
1 1 1   13   11   24 o  187.726   5.4536  236.359   11.236  234.215   12.590  244.755   24.912  185.812   4.9999  189.640   9.6938 -3.827057 10.90727 
1 1 1   13   11   25 o  260.914   9.9328  463.486   35.120   0.0000   0.0000  463.486   35.120  ?   ?   260.914   9.9328      ?      ? 
1 1 1   13   11   26 o  178.165   5.7227  210.735   12.571  203.963   14.837  227.971   23.670  173.325   6.3167  183.005   9.5444 -9.680069 11.44537 
1 1 1   13   11   27 o   98.135   7.5653   66.635   9.8726   72.134   13.120   59.456   14.990  102.941   9.4050   93.330   11.852 9.610565 15.13057 
1 1 1   13   11   28 o  230.031   6.6380  359.916   20.624  356.219   27.984  364.312   30.513  228.781   9.0262  231.281   9.7355 -2.500809 13.27597 
1 1 1   13   11   29 o  235.432   5.7964  373.841   16.763  369.599   19.828  384.471   31.388  233.295   6.2718  237.570   9.7498 -4.274261 11.59282 
1 1 1   13   11   30 o  154.672   5.5267  156.673   9.3102  152.781   10.366  172.906   21.171  150.047   5.0982  159.297   9.8075 -9.249680 11.05348 
1 1 1   13   11   31 o  231.472   5.8436  365.159   16.610  366.008   19.708  363.077   30.859  232.141   6.2649  230.803   9.8663 1.337738 11.68725 
1 1 1   13   11   32 o  110.389   6.2852   85.444   7.3466   87.010   8.1942   79.026   16.586  113.219   5.3408  107.559   11.379 5.660431 12.57035 
1 1 1   13   11   33 o  194.196   5.7348  257.063   13.664  257.669   16.205  255.573   25.420  194.770   6.1396  193.622   9.6879 1.147049 11.46953 
1 1 1   13   11   34 o  181.977   4.3903  224.567   10.817  213.604   14.948  236.620   15.673  177.322   6.2205  186.632   6.1970 -9.310532 8.780500 
1 1 1   13   11   35 o  176.383   4.4390  211.461   10.603  213.914   14.775  208.858   15.224  177.448   6.1445  175.318   6.4081 2.129868 8.877951 
1 1 1   13   11   36 o  136.252   5.2208  126.145   9.2719  125.776   11.613  126.793   15.399  136.050   6.2987  136.453   8.3278 -0.4026642 10.44159 
1 1 1   13   11   37 o  149.672   5.1936  151.363   10.077  148.906   12.494  155.938   17.046  148.030   6.2282  151.314   8.3129 -3.283966 10.38729 
1 1 1   13   11   38 o  177.859   4.5086  215.348   10.850  224.732   15.167  205.513   15.527  181.853   6.1545  173.866   6.5903 7.987244 9.017200 
1 1 1   13   11   39 o  267.343   4.7880  486.076   17.341  487.143   24.238  484.958   24.820  267.656   6.6824  267.030   6.8590 0.6264038 9.576050 
1 1 1   13   11   40 f  183.752   4.6504  229.939   11.554  247.381   16.334  212.471   16.347  190.762   6.3186  176.742   6.8251 14.02032 9.300861 
1 1 1   13   11   41 o  137.324   4.7125  128.165   8.7628  125.986   12.116  130.554   12.689  136.109   6.5689  138.540   6.7586 -2.430511 9.424969 
1 1 1   13   11   42 f  174.535   6.0184  211.226   12.789  215.944   15.172  199.644   23.772  178.212   6.2824  170.858   10.267 7.354004 12.03683 
1 1 1   13   11   43 o  158.276   5.9595  160.820   11.548  148.796   13.453  194.487   22.511  147.883   6.7129  168.669   9.8489 -20.78557 11.91904 
1 1 1   13   11   44 o  198.655   5.6063  266.017   14.464  279.456   24.471  258.801   17.932  202.308   8.9259  195.003   6.7860 7.305130 11.21251 
1 1 1   13   11   45 o  124.597   5.7323  104.551   9.3582  100.838   11.720  111.082   15.544  121.680   7.1078  127.514   8.9954 -5.834412 11.46463 
1 1 1   13   11   46 o  205.387   4.6340  287.115   12.894  285.597   18.003  288.715   18.477  204.839   6.4854  205.934   6.6209 -1.095367 9.268032 
1 1 1   13   11   47 o  236.082   6.7751  379.647   21.675   0.0000   0.0000  379.647   21.675  ?   ?   236.082   6.7751      ?      ? 
1 1 1   13   11   48 o  177.965   4.6118  215.813   11.118  220.787   15.642  210.736   15.805  180.054   6.4109  175.876   6.6313 4.177551 9.223560 
1 1 1   13   11   49 o  130.291   6.9127  115.762   12.205   0.0000   0.0000  115.762   12.205  ?   ?   130.291   6.9127      ?      ? 
1 1 1   13   11   50 o  105.172   7.5037   75.565   10.694   0.0000   0.0000   75.565   10.694  ?   ?   105.172   7.5037      ?      ? 
1 1 1   13   11   51 o  162.945   4.6724  181.087   10.315  177.572   14.414  184.777   14.768  161.327   6.5933  164.563   6.6222 -3.235672 9.344823 
1 1 1   13   11   52 o   59.669   7.4863   25.147   5.8794   28.474   8.2631   21.737   8.3674   64.324   9.4795   55.014   11.589 9.309528 14.97256 
1 1 1   13   11   53 o  122.131   5.0312  101.803   8.3025   91.389   11.469  113.272   12.035  115.548   7.3242  128.714   6.8998 -13.16595 10.06236 
1 1 1   13   11   54 o  147.127   4.8064  148.293   9.5648  158.111   13.492  138.372   13.562  152.081   6.5465  142.173   7.0392 9.907211 9.612864 
1 1 1   13   11   55 o  200.300   4.7421  274.689   12.863  276.324   17.893  272.940   18.504  200.958   6.5704  199.642   6.8396 1.315933 9.484246 
1 1 1   13   11   56 o   76.687   7.3847   41.798   7.3601   44.458   9.3751   37.524   11.883   80.260   8.6198   73.113   11.993 7.146576 14.76943 
1 1 1   13   11   57 o  131.206   4.9170  118.376   8.7103  130.867   12.385  106.152   12.252  138.147   6.6157  124.265   7.2760 13.88178 9.833983 
1 1 1   13   11   58 o   84.655   5.9283   49.652   6.7904   52.371   9.5556   46.878   9.6514   87.058   8.0996   82.252   8.6589 4.806374 11.85664 
1 1 1   13   11   59 f   63.844   7.3254   29.026   6.1216   23.761   8.4943   34.715   8.8300   57.100   11.377   70.589   9.2309 -13.48819 14.65087 
1 1 1   13   11   60 o  101.858   5.4039   71.715   7.4358   64.292   10.333   79.689   10.709   96.319   7.9161  107.397   7.3583 -11.07773 10.80787 
1 1 1   13   11   61 o   54.843   9.6043   24.307   7.0521   28.093   8.3652   15.007   13.111   63.203   9.7669   46.483   16.540 16.71959 19.20860 
1 1 1   13   11   62 o   64.085   9.3183   29.633   7.2340   28.563   8.5146   32.410   13.716   63.591   9.8806   64.580   15.802 -0.9883194 18.63667 
1 1 1   13   11   63 o   77.609   6.2026   42.336   6.5174   43.653   9.1315   40.968   9.3048   78.912   8.5392   76.305   8.9985 2.606445 12.40528 
1 1 1   13   11   64 f   38.309   9.0045   10.410   5.5049   8.4836   7.6784   12.448   7.8963   35.632   12.660   40.986   12.808 -5.354664 18.00902 
1 1 1   13   11   65 o   40.126   9.4748   11.867   6.4640   4.1048   10.794   16.207   8.0711   34.146   14.179   46.105   12.572 -11.95892 18.94954 
1 1 1   13   11   66 o   68.815   9.8878   33.968   9.2207   0.0000   0.0000   33.968   9.2207  ?   ?    68.815   9.8878      ?      ? 
1 1 1   13   11   67 o   36.712   13.175   9.2823   8.3353   0.0000   0.0000   9.2823   8.3353  ?   ?    36.712   13.175      ?      ? 
1 1 1   13   11   68 o   39.341   9.6200   11.388   6.5328   5.4399   10.589   15.044   8.3008   34.632   14.177   44.050   13.008 -9.417091 19.24005 
1 1 1   13   11   69 o   47.019   9.3681   18.426   6.7661   8.2474   11.091   24.460   8.5392   37.375   14.781   56.663   11.513 -19.28848 18.73623 
1 1 1   13   11   70 o   98.323   8.0142   71.211   10.568   58.623   14.361   86.078   15.607   88.406   11.987  108.241   10.640 -19.83490 16.02843 
1 1 1   13   11   71 f   37.405   10.401   8.7433   7.7187   9.6265   10.305   7.6146   11.649   37.841   14.445   36.969   14.968 0.8719254 20.80196 
1 1 1   13   11   72 o   32.731   9.7618   2.5717   7.4537  -1.8462   9.7756   8.7073   11.520   27.837   12.489   37.626   15.006 -9.789385 19.52358 
1 1 1   13   11   73 o   39.158   10.744   10.596   8.0590   9.9981   10.509   11.451   12.556   37.967   14.565   40.349   15.799 -2.381985 21.48830 
1 1 1   13   11   74 f   72.799   9.9560   42.011   9.5623   33.345   12.604   53.764   14.678   62.888   15.000   82.710   13.096 -19.82292 19.91207 
1 1 1   13   11   75 o   25.425   8.3038  -7.9627   7.2785   1.6425   9.5665 -21.1656   11.216   29.547   12.838   21.302   10.535 8.245449 16.60761 
1 1 1   13   12    0 o  281.136   4.8624  534.245   18.485  504.237   25.158  569.449   27.250  272.595   6.8105  289.678   6.9416 -17.08276 9.724706 
1 1 1   13   12    1 o  288.552   4.8907  564.522   19.105  554.235   26.338  575.944   27.754  285.788   6.8008  291.317   7.0303 -5.528381 9.781406 
1 1 1   13   12    2 o  194.531   4.5451  256.461   11.956  252.475   16.325  261.073   17.559  192.910   6.2447  196.152   6.6056 -3.242645 9.090151 
1 1 1   13   12    3 f  420.308   5.8361  1198.52   33.215  1267.91   47.734  1133.40   46.247  432.101   8.1519  408.515   8.3539 23.58521 11.67226 
1 1 1   13   12    4 o  283.242   4.8727  542.532   18.665  514.789   25.423  574.969   27.490  275.420   6.8115  291.063   6.9695 -15.64313 9.745307 
1 1 1   13   12    5 o  172.843   4.4903  202.518   10.492  200.165   14.305  205.257   15.434  171.765   6.1458  173.921   6.5484 -2.156021 8.980685 
1 1 1   13   12    6 o  310.597   5.0321  649.714   21.095  595.606   28.350  716.841   31.576  296.225   7.0622  324.969   7.1703 -28.74396 10.06419 
1 1 1   13   12    7 o  208.977   4.5807  297.382   12.919  325.270   18.155  268.775   18.388  218.954   6.1188  199.001   6.8186 19.95322 9.161491 
1 1 1   13   12    8 o  208.465   4.5618  295.963   12.826  327.341   18.079  264.159   18.201  219.649   6.0737  197.282   6.8080 22.36748 9.123512 
1 1 1   13   12    9 o  220.860   4.5829  330.393   13.689  321.513   18.681  340.691   20.118  217.669   6.3332  224.051   6.6260 -6.381866 9.165881 
1 1 1   13   12   10 o  299.918   5.9722  609.805   19.974  608.785   22.552  613.516   43.025  299.570   5.5553  300.266   10.574 -0.6955872 11.94436 
1 1 1   13   12   11 o  195.842   5.7086  266.869   11.960  271.017   13.369  250.255   26.757  199.900   4.9353  191.783   10.295 8.117065 11.41723 
1 1 1   13   12   12 o  191.232   5.5985  245.295   11.431  243.382   12.695  253.496   26.278  189.432   4.9454  193.031   10.046 -3.599350 11.19701 
1 1 1   13   12   13 f  341.945   6.2083  785.388   23.850  778.100   26.955  811.662   51.182  338.635   5.8740  345.256   10.939 -6.620575 12.41658 
1 1 1   13   12   14 o  297.269   5.9927  609.636   19.936  616.855   22.618  584.494   42.211  301.532   5.5352  293.006   10.631 8.526001 11.98539 
1 1 1   13   12   15 o  220.241   5.4503  308.401   13.018  295.436   14.420  365.498   30.262  208.694   5.0990  231.788   9.6345 -23.09433 10.90064 
1 1 1   13   12   16 o  231.989   5.6406  367.906   14.403  369.505   16.208  361.901   31.404  233.389   5.1246  230.590   10.050 2.798340 11.28115 
1 1 1   13   12   17 o  243.255   6.9034  401.758   22.710  388.906   30.961  416.726   33.413  239.076   9.5565  247.435   9.9650 -8.358215 13.80677 
1 1 1   13   12   18 o  200.115   6.7926  273.274   18.362  284.987   25.345  260.335   26.640  204.682   9.1377  195.549   10.053 9.133698 13.58522 
1 1 1   13   12   19 o  140.280   5.8540  139.657   8.6632  143.409   9.6738  124.465   19.468  145.397   4.9097  135.162   10.629 10.23508 11.70800 
1 1 1   13   12   20 o  203.612   5.8693  291.860   14.357  304.655   16.992  259.943   26.838  211.859   5.9186  195.365   10.137 16.49399 11.73864 
1 1 1   13   12   21 o  299.196   6.1951  606.634   22.787  603.458   27.007  614.481   42.451  298.089   6.6858  300.303   10.431 -2.214020 12.39015 
1 1 1   13   12   22 o  117.394   6.1898   89.551   8.4026   85.948   9.5477  101.927   17.695  112.509   6.2622  122.279   10.679 -9.769882 12.37950 
1 1 1   13   12   23 o  156.866   5.7780  173.359   9.7824  177.553   10.993  157.405   21.440  161.766   5.0149  151.965   10.411 9.801270 11.55602 
1 1 1   13   12   24 o  114.463   6.5061   96.853   7.6443  101.544   8.5254   77.616   17.266  122.328   5.1429  106.598   11.953 15.73000 13.01220 
1 1 1   13   12   25 o  187.876   5.6691  244.627   11.653  247.917   13.118  232.315   25.378  191.140   5.0644  184.612   10.144 6.527908 11.33824 
1 1 1   13   12   26 o  235.736   5.6373  380.149   14.824  381.826   16.765  374.138   31.734  237.192   5.2158  234.280   9.9955 2.912369 11.27452 
1 1 1   13   12   27 o  158.151   5.6892  172.298   9.8332  173.818   11.052  166.521   21.543  160.037   5.0959  156.266   10.173 3.770889 11.37837 
1 1 1   13   12   28 o  313.807   6.1287  680.483   21.843  689.130   24.936  651.975   45.276  318.573   5.7762  309.041   10.811 9.532623 12.25740 
1 1 1   13   12   29 o  447.409   7.1987  1357.60   36.770  1350.75   41.885  1380.62   76.781  445.780   6.9335  449.037   12.618 -3.256500 14.39745 
1 1 1   13   12   30 o  261.787   5.8795  460.833   16.994  456.747   19.085  476.474   37.343  259.373   5.4299  264.202   10.430 -4.828644 11.75898 
1 1 1   13   12   31 o  267.787   6.6626  487.401   24.178  487.401   24.178   0.0000   0.0000  267.787   6.6626  ?   ?       ?      ? 
1 1 1   13   12   32 o  233.555   6.4267  370.710   20.341  370.710   20.341   0.0000   0.0000  233.555   6.4267  ?   ?       ?      ? 
1 1 1   13   12   33 f  126.253   5.9693  104.524   8.2452  101.839   9.1939  115.554   18.637  122.457   5.5403  130.048   10.575 -7.591721 11.93853 
1 1 1   13   12   34 o  193.756   5.6279  251.689   12.110  248.819   13.620  262.515   26.456  191.427   5.2505  196.085   9.9561 -4.658081 11.25574 
1 1 1   13   12   35 o  157.782   5.5682  155.713   9.7785  146.370   10.895  194.420   22.176  146.802   5.4766  168.762   9.6966 -21.96011 11.13634 
1 1 1   13   12   36 o  144.570   6.1576  152.905   9.7702  161.409   11.146  124.689   20.302  154.163   5.3351  134.975   11.100 19.18796 12.31526 
1 1 1   13   12   37 o  110.297   6.7040   85.165   8.7696   87.582   10.263   78.629   16.880  113.479   6.6741  107.115   11.629 6.364273 13.40801 
1 1 1   13   12   38 o   83.977   5.4758   48.009   6.2100   42.794   8.6434   53.574   8.9279   79.248   8.0485   88.707   7.4270 -9.458542 10.95161 
1 1 1   13   12   39 o   63.851   6.4608   27.833   5.5896   27.260   7.8866   28.411   7.9235   63.186   9.2105   64.515   9.0630 -1.328785 12.92170 
1 1 1   13   12   40 o  118.943   4.9024   96.282   7.8968   95.971   10.965   96.616   11.383  118.753   6.8134  119.133   7.0507 -0.3800354 9.804830 
1 1 1   13   12   41 o  142.193   6.0672  132.606   10.541  126.046   12.321  150.516   20.357  136.092   6.6807  148.295   10.130 -12.20309 12.13448 
1 1 1   13   12   42 o   96.723   6.9872   59.009   8.2073   53.446   9.4828   75.616   16.385   88.527   7.9046  104.918   11.524 -16.39096 13.97439 
1 1 1   13   12   43 o  115.273   4.9744   90.561   7.7626   91.377   10.765   89.676   11.204  115.829   6.8584  114.716   7.2070 1.113678 9.948808 
1 1 1   13   12   44 o   58.836   7.5900   24.658   5.7998   16.730   8.1329   32.862   8.2732   48.345   12.365   69.327   8.8062 -20.98129 15.18002 
1 1 1   13   12   45 o   98.613   6.4059   65.328   8.1765   70.728   14.024   62.548   10.064  101.507   10.195   95.718   7.7588 5.789772 12.81178 
1 1 1   13   12   46 o   93.611   7.1306   64.365   8.2992   47.964   13.772   73.718   10.400   83.299   12.200  103.922   7.3846 -20.62297 14.26112 
1 1 1   13   12   47 o  126.746   4.9106  109.374   8.4030   96.834   11.606  123.190   12.182  119.095   7.1913  134.397   6.6889 -15.30175 9.821182 
1 1 1   13   12   48 o   50.699   12.047   18.512   8.1542   0.0000   0.0000   18.512   8.1542  ?   ?    50.699   12.047      ?      ? 
1 1 1   13   12   49 o   90.619   10.355   56.673   12.717   0.0000   0.0000   56.673   12.717  ?   ?    90.619   10.355      ?      ? 
1 1 1   13   12   50 o   53.703   7.9899   20.487   5.7529   15.155   8.0242   26.128   8.2522   45.873   12.546   61.533   9.8965 -15.65999 15.97976 
1 1 1   13   12   51 o   93.028   5.6367   59.514   7.0921   62.490   9.9102   56.391   10.154   95.462   7.6607   90.594   8.2707 4.867729 11.27344 
1 1 1   13   12   52 o  133.325   5.6093  115.201   9.6955  100.089   11.810  146.438   16.980  120.838   7.2123  145.811   8.5931 -24.97326 11.21868 
1 1 1   13   12   53 o   99.842   5.4171   68.539   7.3201   69.078   10.126   67.948   10.594  100.292   7.4506   99.393   7.8657 0.8995438 10.83420 
1 1 1   13   12   54 o  118.943   5.0472   96.565   8.0467   78.284   10.948  118.045   11.867  106.673   7.5734  131.213   6.6740 -24.53969 10.09449 
1 1 1   13   12   55 o   99.432   5.3919   68.182   7.2591   70.143   10.165   66.141   10.370  100.934   7.4314   97.930   7.8145 3.003708 10.78382 
1 1 1   13   12   56 o   78.752   6.0162   43.020   6.4165   44.311   9.0213   41.698   9.1281   79.988   8.3227   77.517   8.6897 2.470512 12.03232 
1 1 1   13   12   57 o   91.622   5.6157   58.171   6.9675   60.072   9.7945   56.223   9.9136   93.184   7.7563   90.060   8.1230 3.124596 11.23138 
1 1 1   13   12   58 o   76.060   6.3345   40.430   6.4399   32.270   8.9018   49.391   9.3281   67.808   9.6875   84.313   8.1642 -16.50459 12.66898 
1 1 1   13   12   59 o  113.951   5.1778   89.918   7.9893   89.313   11.068   90.576   11.544  113.596   7.1901  114.307   7.4525 -0.7107849 10.35555 
1 1 1   13   12   60 o   96.897   5.5093   65.066   7.2171   60.780   9.8107   70.122   10.655   93.450   7.7471  100.345   7.8353 -6.895042 11.01858 
1 1 1   13   12   61 o   63.424   9.4024   34.407   7.2631   40.199   8.6156   20.180   13.503   75.721   8.3962   51.126   16.826 24.59541 18.80471 
1 1 1   13   12   62 o   91.407   8.3438   61.367   10.193   65.426   13.683   56.307   15.279   95.455   10.578   87.358   12.907 8.097595 16.68768 
1 1 1   13   12   63 o   88.901   7.2648   59.194   8.2100   48.074   13.342   65.971   10.415   80.862   12.176   96.939   7.9285 -16.07767 14.52954 
1 1 1   13   12   64 o   56.055   8.9448   25.515   6.8773   14.859   10.707   32.999   8.9730   44.274   14.992   67.835   9.7611 -23.56152 17.88954 
1 1 1   13   12   65 o   44.808   9.5343   15.798   6.5091   10.377   9.8997   19.926   8.6389   38.870   14.298   50.746   12.616 -11.87534 19.06861 
1 1 1   13   12   66 f   34.519   13.065   7.4687   8.3849   0.0000   0.0000   7.4687   8.3849  ?   ?    34.519   13.065      ?      ? 
1 1 1   13   12   67 o   35.880   14.550   6.6281   11.026   0.0000   0.0000   6.6281   11.026  ?   ?    35.880   14.550      ?      ? 
1 1 1   13   12   68 o   37.110   10.010   6.3194   7.4731  -1.4149   9.8499   16.810   11.471   28.378   12.648   45.842   15.518 -17.46434 20.01931 
1 1 1   13   12   69 o   47.666   9.3655   17.221   7.8419   32.318   10.673  -0.4932   11.561   64.312   12.697   31.020   13.771 33.29201 18.73100 
1 1 1   13   12   70 o   46.188   10.755   17.508   8.0712   22.016   10.903   12.041   12.006   51.541   14.819   40.834   15.591 10.70731 21.50990 
1 1 1   13   12   71 o   39.488   10.676   11.200   7.9963   12.593   10.913   9.5843   11.750   40.691   15.005   38.286   15.191 2.405315 21.35261 
1 1 1   13   12   72 o   27.494   12.464  -2.5096   10.029  -2.5096   10.029   0.0000   0.0000   27.494   12.464  ?   ?       ?      ? 
1 1 1   13   13    0 o  288.669   6.2259  565.420   22.857  569.449   40.005  563.467   27.850  289.271   10.205  288.068   7.1343 1.203033 12.45185 
1 1 1   13   13    1 o  210.349   4.6137  299.211   13.116  285.734   17.777  315.312   19.431  205.177   6.3938  215.520   6.6532 -10.34294 9.227448 
1 1 1   13   13    2 o   88.192   5.5110   52.162   6.5319   47.852   8.5900   58.071   10.058   83.936   7.5520   92.449   8.0281 -8.513725 11.02196 
1 1 1   13   13    3 o  267.049   4.8310  483.038   17.450  466.439   23.821  502.264   25.636  262.119   6.7062  271.979   6.9555 -9.859894 9.661921 
1 1 1   13   13    4 o  308.588   5.0717  643.049   21.144  600.519   28.570  694.550   31.439  297.379   7.0895  319.798   7.2546 -22.41925 10.14348 
1 1 1   13   13    5 o  194.487   4.6091  257.313   12.110  264.839   16.639  248.835   17.660  197.534   6.2160  191.440   6.8071 6.094070 9.218210 
1 1 1   13   13    6 o  136.474   4.7414  125.294   8.7077  117.256   11.522  135.999   13.297  131.426   6.4693  141.521   6.9335 -10.09492 9.482868 
1 1 1   13   13    7 o  104.162   5.1977   75.011   7.2035   84.097   9.7270   63.977   10.720  111.301   6.4490   97.023   8.1531 14.27819 10.39536 
1 1 1   13   13    8 f  176.350   4.5671  211.457   10.884  216.067   14.940  206.244   15.887  178.415   6.1793  174.284   6.7268 4.131195 9.134231 
1 1 1   13   13    9 o  100.115   5.3467   69.232   7.1267   76.773   9.5911   59.934   10.649  106.335   6.6560   93.895   8.3693 12.43968 10.69333 
1 1 1   13   13   10 o  237.818   5.7844  394.648   15.208  402.463   17.211  366.819   32.478  243.558   5.2147  232.079   10.327 11.47926 11.56882 
1 1 1   13   13   11 o  232.094   5.8036  376.874   14.803  384.864   16.724  347.963   31.812  238.172   5.1817  226.017   10.386 12.15512 11.60727 
1 1 1   13   13   12 o  210.926   10.162  303.012   29.046   0.0000   0.0000  303.012   29.046  ?   ?   210.926   10.162      ?      ? 
1 1 1   13   13   13 o  138.490   10.778  130.728   20.227   0.0000   0.0000  130.728   20.227  ?   ?   138.490   10.778      ?      ? 
1 1 1   13   13   14 o  218.922   5.9222  327.888   15.508  330.135   18.124  321.746   29.962  220.521   6.0649  217.322   10.174 3.199112 11.84440 
1 1 1   13   13   15 o  192.679   5.7825  243.688   13.165  235.082   15.133  270.467   26.697  186.086   6.0012  199.271   9.8862 -13.18521 11.56507 
1 1 1   13   13   16 o  126.746   5.9359  105.241   7.9269  102.968   8.7405  115.774   18.815  123.182   5.2361  130.311   10.655 -7.128494 11.87172 
1 1 1   13   13   17 o  154.731   5.6880  158.148   9.3380  155.412   10.328  170.400   21.858  151.341   5.0359  158.122   10.201 -6.780960 11.37603 
1 1 1   13   13   18 o  138.132   5.9821  135.889   8.6823  139.721   9.6878  120.249   19.571  143.498   4.9819  132.767   10.878 10.73088 11.96425 
1 1 1   13   13   19 o   85.009   8.1227   56.370   6.4381   59.648   7.1056   41.340   15.215   93.739   5.5937   76.279   15.252 17.46056 16.24545 
1 1 1   13   13   20 o  143.753   5.7498  137.218   8.8532  135.153   9.8259  146.127   20.408  141.120   5.1381  146.387   10.288 -5.266083 11.49952 
1 1 1   13   13   21 o  264.065   5.7841  479.699   17.087  483.866   19.368  465.068   36.290  266.993   5.3530  261.136   10.255 5.856720 11.56814 
1 1 1   13   13   22 o  224.003   5.6179  335.640   13.910  331.566   15.615  351.302   30.615  221.021   5.2133  226.985   9.9531 -5.964081 11.23574 
1 1 1   13   13   23 o  217.262   5.5502  305.587   13.194  295.463   14.688  347.903   30.028  208.637   5.1951  225.886   9.8098 -17.24907 11.10046 
1 1 1   13   13   24 o  205.329   5.1294  286.168   14.272  286.168   14.272   0.0000   0.0000  205.329   5.1294  ?   ?       ?      ? 
1 1 1   13   13   25 o  222.302   5.2358  335.474   15.773  335.474   15.773   0.0000   0.0000  222.302   5.2358  ?   ?       ?      ? 
1 1 1   13   13   26 o  114.947   5.5169   89.718   8.5936   89.718   8.5936   0.0000   0.0000  114.947   5.5169  ?   ?       ?      ? 
1 1 1   13   13   27 o  112.514   6.3115   83.559   7.5801   81.929   8.3960   90.745   17.628  109.835   5.6409  115.193   11.292 -5.358505 12.62298 
1 1 1   13   13   28 o  200.946   5.6722  277.943   12.661  280.262   14.311  269.596   27.154  203.174   5.1979  198.718   10.084 4.455811 11.34445 
1 1 1   13   13   29 o  158.027   5.6155  159.762   9.7979  152.897   10.920  188.107   22.189  150.053   5.3704  166.001   9.8639 -15.94861 11.23109 
1 1 1   13   13   30 o  143.286   5.7129  131.443   9.0657  125.753   10.115  154.684   20.441  136.072   5.4854  150.499   10.023 -14.42732 11.42581 
1 1 1   13   13   31 o  203.534   5.8448  287.107   13.233  290.902   14.987  273.680   28.193  206.964   5.3435  200.103   10.397 6.861145 11.68969 
1 1 1   13   13   32 o  122.784   6.2189   92.340   8.5169   85.330   9.4711  121.970   19.471  112.040   6.2380  133.528   10.760 -21.48759 12.43783 
1 1 1   13   13   33 o  223.965   5.7257  336.511   14.361  332.505   16.202  351.189   31.014  221.250   5.4039  226.680   10.096 -5.430573 11.45147 
1 1 1   13   13   34 o  291.736   6.1368  599.908   20.371  617.508   23.382  544.487   41.493  301.453   5.7238  282.018   10.857 19.43497 12.27353 
1 1 1   13   13   35 o  129.914   6.4237  121.425   9.0899  126.125   10.292  104.748   19.385  136.242   5.5742  123.585   11.575 12.65711 12.84733 
1 1 1   13   13   36 o  135.807   6.0127  124.558   9.1014  123.608   10.261  128.060   19.706  134.866   5.6146  136.748   10.634 -1.882736 12.02536 
1 1 1   13   13   37 o  179.103   5.7237  212.969   11.459  208.670   12.895  229.109   24.987  175.236   5.4303  182.970   10.078 -7.734222 11.44744 
1 1 1   13   13   38 o  182.842   5.9772  223.413   13.444  217.069   15.858  239.625   25.350  178.591   6.5526  187.092   9.9985 -8.501022 11.95439 
1 1 1   13   13   39 o  193.275   6.1456  262.423   14.601  273.414   17.531  237.531   26.383  200.424   6.4546  186.127   10.460 14.29716 12.29127 
1 1 1   13   13   40 o  164.544   6.9137  184.926   15.313  180.911   20.408  190.100   23.164  162.598   9.2620  166.490   10.267 -3.891434 13.82749 
1 1 1   13   13   41 o  166.196   6.1725  188.152   12.834  186.950   15.411  190.873   23.185  165.627   6.8660  166.765   10.260 -1.137711 12.34505 
1 1 1   13   13   42 o  151.626   6.1730  152.926   11.466  147.321   13.464  167.725   21.876  147.013   6.7582  156.240   10.332 -9.227493 12.34608 
1 1 1   13   13   43 o  105.249   5.1948   75.623   7.4086   76.824   10.533   74.446   10.423  106.079   7.3273  104.420   7.3656 1.658791 10.38951 
1 1 1   13   13   44 o   46.800   7.8064   14.801   5.4434   25.739   7.9731   5.2515   7.4498   61.204   9.6131   32.396   12.302 28.80774 15.61282 
1 1 1   13   13   45 o  170.762   4.6254  198.932   10.702  196.794   14.982  201.159   15.293  169.831   6.5096  171.693   6.5728 -1.861450 9.250759 
1 1 1   13   13   46 o  140.703   4.8463  135.352   9.2062  150.678   13.162  120.670   12.882  148.559   6.5377  132.847   7.1557 15.71260 9.692544 
1 1 1   13   13   47 o  133.305   6.6858  123.953   11.898  101.447   17.030  145.414   16.629  121.109   10.377  145.501   8.4338 -24.39179 13.37167 
1 1 1   13   13   48 o   47.819   9.3324   12.623   7.3791   31.151   11.496  -0.3586   9.6230   65.490   13.406   30.148   12.987 35.34145 18.66488 
1 1 1   13   13   49 o  122.672   5.0036  103.165   8.3069  109.804   11.802   96.647   11.694  126.623   6.8780  118.721   7.2688 7.901939 10.00712 
1 1 1   13   13   50 o  104.657   5.2912   75.284   7.4803   67.751   10.477   83.116   10.683   99.254   7.7897  110.060   7.1629 -10.80590 10.58233 
1 1 1   13   13   51 o   44.557   8.6222   14.362   5.5134   9.8428   7.7958   18.884   7.7984   38.183   12.793   50.930   11.563 -12.74774 17.24440 
1 1 1   13   13   52 o   93.221   7.0872   63.633   8.2233   52.052   14.031   69.692   10.149   85.838   12.062  100.605   7.4444 -14.76689 14.17437 
1 1 1   13   13   53 o   97.822   7.4580   67.919   9.7443   56.436   14.009   78.682   13.563   89.377   11.566  106.267   9.4182 -16.89069 14.91598 
1 1 1   13   13   54 o   75.890   6.2047   40.179   6.3616   42.638   8.8655   37.568   9.1339   78.385   8.3462   73.395   9.1835 4.990341 12.40949 
1 1 1   13   13   55 o  104.461   5.3156   75.458   7.5217   72.851   10.482   78.225   10.800  102.596   7.5390  106.326   7.4957 -3.729828 10.63113 
1 1 1   13   13   56 o   78.408   6.4153   43.109   6.6559   31.879   9.1350   55.818   9.7178   67.221   10.028   89.594   8.0040 -22.37314 12.83068 
1 1 1   13   13   57 o   49.223   8.6542   18.080   5.7615   15.920   7.9591   20.458   8.3510   46.101   12.448   52.345   12.026 -6.243210 17.30832 
1 1 1   13   13   58 o   91.710   7.2015   62.333   8.3099   51.973   13.934   68.051   10.352   84.619   12.152   98.802   7.7320 -14.18289 14.40290 
1 1 1   13   13   59 f  102.298   6.4773   74.152   8.6615   73.419   14.186   74.588   10.937  101.309   10.333  103.287   7.8138 -1.977394 12.95469 
1 1 1   13   13   60 o   32.816   9.7236   2.9195   7.3966   6.1649   9.6378  -1.7314   11.538   34.721   13.764   30.912   13.738 3.809587 19.44720 
1 1 1   13   13   61 o   39.951   10.421   10.876   7.4633   12.309   9.8466   8.9417   11.441   41.172   14.361   38.730   15.104 2.442734 20.84167 
1 1 1   13   13   62 o   31.989   8.3467   0.0934   5.7714   15.087   9.0843 -10.0542   7.4734   44.223   13.725   19.755   9.5028 24.46775 16.69335 
1 1 1   13   13   63 o   35.120   8.5791   4.1718   5.7360   17.843   9.2689  -4.3132   7.3022   47.641   13.654   22.599   10.391 25.04165 17.15827 
1 1 1   13   13   64 o   33.890   9.6895   5.3169   6.8773   3.1565   9.1801   8.0804   10.383   31.079   13.004   36.702   14.368 -5.623505 19.37895 
1 1 1   13   13   65 o   43.926   9.5336   11.620   7.3273  -0.4632   9.6583   28.006   11.247   28.807   12.697   59.046   14.224 -30.23948 19.06726 
1 1 1   13   13   66 o   45.750   15.336   16.811   11.203   0.0000   0.0000   16.811   11.203  ?   ?    45.750   15.336      ?      ? 
1 1 1   13   13   67 o   89.755   11.678   60.562   14.204   0.0000   0.0000   60.562   14.204  ?   ?    89.755   11.678      ?      ? 
1 1 1   13   13   68 o   34.660   14.132   6.3049   10.470   6.3049   10.470   0.0000   0.0000   34.660   14.132  ?   ?       ?      ? 
1 1 1   13   14    0 o  144.065   5.5504  143.567   10.641  122.762   15.842  160.667   14.363  134.335   8.7026  153.796   6.8916 -19.46062 11.10086 
1 1 1   13   14    1 o  127.202   5.4443  108.564   9.3178  122.320   14.251   98.294   12.315  134.141   7.8399  120.262   7.5563 13.87951 10.88859 
1 1 1   13   14    2 o  196.005   5.3353  254.426   13.866  292.922   22.582  231.127   17.568  207.563   8.0285  184.448   7.0287 23.11465 10.67052 
1 1 1   13   14    3 o  250.129   5.6848  427.934   18.764  413.956   29.920  436.995   24.090  246.638   8.9520  253.621   7.0091 -6.982803 11.36951 
1 1 1   13   14    4 o  173.473   6.9456  204.438   16.328   0.0000   0.0000  204.438   16.328  ?   ?   173.473   6.9456      ?      ? 
1 1 1   13   14    5 o  208.668   6.1061  298.336   16.134  290.318   28.224  302.228   19.663  206.414   10.090  210.922   6.8793 -4.508545 12.21217 
1 1 1   13   14    6 o  171.951   7.2695  200.469   16.893  186.743   22.895  216.872   25.028  165.532   10.206  178.371   10.354 -12.83904 14.53902 
1 1 1   13   14    7 o   99.316   9.6203   71.008   12.079   87.607   16.447   51.572   17.797  113.340   10.708   85.293   15.985 28.04730 19.24065 
1 1 1   13   14    8 o  182.209   4.7258  225.542   11.642  225.673   15.938  225.392   17.048  182.282   6.4520  182.136   6.9069 0.1452637 9.451627 
1 1 1   13   14    9 f  214.288   4.7056  311.569   13.630  306.907   18.566  317.019   20.075  212.569   6.4451  216.008   6.8580 -3.439056 9.411219 
1 1 1   13   14   10 o  211.682   6.0811  304.281   15.627  303.447   18.380  306.454   29.681  211.365   6.4170  211.998   10.331 -0.6328430 12.16213 
1 1 1   13   14   11 o  173.106   5.9585  204.983   10.788  205.606   11.941  202.214   25.167  174.063   5.0625  172.150   10.788 1.912643 11.91694 
1 1 1   13   14   12 o  226.429   5.7710  339.804   14.095  334.118   15.672  363.857   32.234  221.876   5.2124  230.982   10.298 -9.105179 11.54208 
1 1 1   13   14   13 o  197.101   5.8545  272.270   12.425  277.676   13.937  251.325   27.432  202.275   5.0845  191.926   10.547 10.34857 11.70900 
1 1 1   13   14   14 o  142.920   6.1916  145.663   9.1693  149.592   10.188  128.910   21.037  148.465   5.0639  137.374   11.300 11.09039 12.38311 
1 1 1   13   14   15 o  120.722   6.8549  111.374   8.2215  118.251   9.1339   82.019   18.871  131.996   5.1064  109.449   12.723 22.54697 13.70979 
1 1 1   13   14   16 o  219.531   5.7690  329.960   13.795  331.325   15.469  324.654   30.495  220.936   5.1666  218.126   10.317 2.809982 11.53804 
1 1 1   13   14   17 o  177.343   5.0710  213.469   12.187  213.469   12.187   0.0000   0.0000  177.343   5.0710  ?   ?       ?      ? 
1 1 1   13   14   18 o  164.039   5.0992  182.652   11.335  182.652   11.335   0.0000   0.0000  164.039   5.0992  ?   ?       ?      ? 
1 1 1   13   14   19 o   90.837   5.9303   56.047   7.3000   56.047   7.3000   0.0000   0.0000   90.837   5.9303  ?   ?       ?      ? 
1 1 1   13   14   20 o  169.317   6.1064  204.194   10.842  209.767   12.088  181.276   24.514  175.788   5.0744  162.845   11.109 12.94327 12.21282 
1 1 1   13   14   21 o  229.923   5.8253  364.620   14.723  368.007   16.583  352.018   31.989  232.815   5.2563  227.032   10.397 5.783035 11.65055 
1 1 1   13   14   22 o  138.676   6.4950  141.896   9.3403  148.760   10.446  114.539   20.857  148.021   5.2079  129.331   11.900 18.69034 12.99002 
1 1 1   13   14   23 o  258.962   5.8823  450.919   16.852  446.677   18.938  467.062   36.943  256.464   5.4490  261.461   10.427 -4.996979 11.76455 
1 1 1   13   14   24 o  360.087   6.5547  891.246   26.828  897.045   30.592  871.937   55.823  363.307   6.2137  356.868   11.543 6.439362 13.10934 
1 1 1   13   14   25 o  233.227   5.8877  363.430   15.073  358.479   16.874  382.980   33.533  229.744   5.4199  236.710   10.454 -6.965424 11.77540 
1 1 1   13   14   26 o  131.157   7.2013  138.421   9.6280  153.684   10.942   86.069   20.265  150.426   5.3676  111.888   13.365 38.53822 14.40270 
1 1 1   13   14   27 o  107.674   7.0255   77.083   8.0604   75.806   8.9303   82.697   18.723  105.601   6.2405  109.748   12.589 -4.147202 14.05097 
1 1 1   13   14   28 o  284.552   6.1248  562.822   19.614  571.675   22.330  532.920   41.038  290.066   5.6807  279.039   10.853 11.02634 12.24969 
1 1 1   13   14   29 o  286.121   6.0208  543.121   19.291  531.798   21.719  585.424   41.981  279.749   5.7292  292.494   10.591 -12.74530 12.04167 
1 1 1   13   14   30 o  292.449   6.1482  591.970   20.317  599.108   23.145  568.002   42.414  296.909   5.7525  287.989   10.868 8.919373 12.29642 
1 1 1   13   14   31 o  141.372   6.4976  147.030   9.9438  155.157   11.291  118.940   20.991  151.109   5.5139  131.636   11.767 19.47229 12.99513 
1 1 1   13   14   32 o  147.011   6.1436  152.128   10.015  155.770   11.363  139.453   21.199  151.396   5.5387  142.626   10.968 8.770447 12.28721 
1 1 1   13   14   33 o  111.416   6.7343   83.381   8.3083   82.294   9.3335   87.530   18.234  109.987   6.2621  112.845   11.924 -2.857613 13.46851 
1 1 1   13   14   34 o  176.161   6.1389  208.714   13.361  204.203   15.833  219.875   24.902  173.182   6.7466  179.139   10.258 -5.956375 12.27774 
1 1 1   13   14   35 o  210.744   6.9425  304.810   19.704  310.296   26.572  298.108   29.368  212.991   9.2063  208.497   10.394 4.494064 13.88498 
1 1 1   13   14   36 o  133.262   7.4413  121.910   13.298  121.954   17.589  121.850   20.315  133.416   9.7288  133.109   11.262 0.3068695 14.88250 
1 1 1   13   14   37 o   86.423   7.9061   49.814   8.3413   47.850   9.7691   55.097   16.025   83.648   8.6182   89.199   13.257 -5.550995 15.81212 
1 1 1   13   14   38 o   78.488   8.4186   43.456   7.1337   43.668   8.0805   42.705   15.188   79.984   7.4551   76.992   15.097 2.991539 16.83720 
1 1 1   13   14   39 o   93.411   7.3722   60.535   7.6530   60.919   8.6539   59.154   16.394   94.513   6.7568   92.310   13.105 2.202095 14.74437 
1 1 1   13   14   40 o   97.235   7.0463   62.206   7.7806   59.972   8.7844   70.340   16.762   93.738   6.9154  100.732   12.279 -6.994896 14.09250 
1 1 1   13   14   41 o   98.926   6.9752   62.942   7.7580   59.709   8.6958   75.552   17.174   93.512   6.8621  104.339   12.146 -10.82651 13.95043 
1 1 1   13   14   42 o  104.435   7.4771   81.663   8.3208   86.336   9.4145   64.984   17.786  112.503   6.1752   96.367   13.620 16.13535 14.95426 
1 1 1   13   14   43 o   91.862   6.8720   57.691   8.5547   57.691   8.5547   0.0000   0.0000   91.862   6.8720  ?   ?       ?      ? 
1 1 1   13   14   44 o  128.595   5.9932  112.872   10.444  112.872   10.444   0.0000   0.0000  128.595   5.9932  ?   ?       ?      ? 
1 1 1   13   14   45 o   73.813   9.0613   37.988   8.2591   36.447   9.9681   41.362   14.751   72.522   10.143   75.103   15.018 -2.581032 18.12262 
1 1 1   13   14   46 o  101.266   7.0679   63.089   9.0439   50.099   10.683   95.955   16.992   85.119   9.2612  117.413   10.679 -32.29357 14.13578 
1 1 1   13   14   47 o  122.729   6.5142  102.641   9.8428  100.375   11.642  108.319   18.430  120.926   7.1044  124.531   10.921 -3.604836 13.02847 
1 1 1   13   14   48 o  106.968   5.1468   78.663   7.4566   82.228   10.627   75.207   10.465  109.378   7.1698  104.558   7.3858 4.819656 10.29351 
1 1 1   13   14   49 o   75.671   5.9982   39.643   6.1496   40.701   8.7361   38.604   8.6581   76.686   8.4066   74.655   8.5581 2.030945 11.99632 
1 1 1   13   14   50 o   72.093   6.1925   36.166   6.0383   34.091   8.6124   38.172   8.4682   69.989   9.0805   74.198   8.4221 -4.208656 12.38496 
1 1 1   13   14   51 o  123.786   4.9350  105.613   8.2775  104.741   11.606  106.515   11.808  123.276   6.9476  124.296   7.0105 -1.020187 9.870000 
1 1 1   13   14   52 o   80.968   5.9788   45.693   6.5357   50.627   9.3152   40.908   9.1721   85.380   8.0511   76.556   8.8411 8.823517 11.95767 
1 1 1   13   14   53 o   86.828   5.8671   52.668   6.8090   42.129   9.4476   64.058   9.8221   77.557   8.9891   96.100   7.5422 -18.54262 11.73412 
1 1 1   13   14   54 o   69.888   8.6141   37.395   7.3037   31.347   12.620   40.442   8.9561   63.803   14.871   75.973   8.6992 -12.16921 17.22826 
1 1 1   13   14   55 o   86.135   7.1316   54.137   7.8210   48.180   13.106   57.431   9.7467   81.582   11.855   90.688   7.9309 -9.106415 14.26321 
1 1 1   13   14   56 o   69.430   7.8333   33.458   7.1220   39.952   12.061   29.982   8.8247   74.034   12.022   64.827   10.045 9.206779 15.66660 
1 1 1   13   14   57 o   55.983   10.123   24.485   7.8267   30.285   11.191   18.933   10.950   62.719   13.562   49.246   15.032 13.47266 20.24591 
1 1 1   13   14   58 o   35.687   9.3945   7.5098   6.0134   11.360   9.5846   5.0103   7.7225   39.978   14.151   31.396   12.360 8.581924 18.78892 
1 1 1   13   14   59 f   47.814   10.770   18.175   7.8808   19.872   10.196   15.655   12.421   50.158   14.302   45.471   16.108 4.686138 21.54079 
1 1 1   13   14   60 o   25.905   11.727  -3.2333   8.8438  -3.2333   8.8438   0.0000   0.0000   25.905   11.727  ?   ?       ?      ? 
1 1 1   13   14   61 o   35.071   9.8934   5.9945   7.1954   2.2457   9.8369   10.309   10.553   31.141   13.266   39.001   14.681 -7.860451 19.78671 
1 1 1   13   14   62 f   61.731   10.023   30.489   8.2071   30.775   11.470   30.189   11.749   62.176   13.955   61.287   14.392 0.8895264 20.04659 
1 1 1   13   14   63 o   68.070   9.4826   36.315   8.5555   42.012   12.106   30.631   12.092   74.792   11.945   61.348   14.731 13.44396 18.96525 
1 1 1   13   14   64 o   45.432   14.621   16.628   10.224   16.628   10.224   0.0000   0.0000   45.432   14.621  ?   ?       ?      ? 
1 1 1   13   15    0 o  113.064   7.6837   92.908   9.6973   97.848   11.124   77.272   19.792  119.988   6.8413  106.140   13.760 13.84801 15.36732 
1 1 1   13   15    1 o  206.863   7.2934  292.106   20.376  293.728   27.744  290.206   30.023  207.548   9.8643  206.179   10.746 1.369385 14.58671 
1 1 1   13   15    2 o  174.012   6.1496  205.436   13.711  208.510   23.687  203.886   16.814  174.849   9.9967  173.175   7.1648 1.673935 12.29914 
1 1 1   13   15    3 o  207.225   4.7768  292.272   13.379  298.433   18.378  285.328   19.513  209.577   6.4711  204.873   7.0284 4.703979 9.553669 
1 1 1   13   15    4 o  142.231   4.9794  139.503   9.4592  156.777   12.916  119.521   13.892  151.913   6.2742  132.549   7.7338 19.36325 9.958771 
1 1 1   13   15    5 o   81.434   6.2598   45.445   6.7752   46.661   8.8307   43.703   10.564   82.812   7.8689   80.056   9.7375 2.756531 12.51952 
1 1 1   13   15    6 f   85.956   6.1620   50.190   7.0566   49.612   9.1522   51.036   11.081   85.387   7.9095   86.525   9.4509 -1.138000 12.32391 
1 1 1   13   15    7 o  137.584   5.7828  127.133   10.082  124.114   12.186  133.684   17.951  135.136   6.6542  140.032   9.4596 -4.895630 11.56552 
1 1 1   13   15    8 o   93.817   6.6678   55.300   7.8985   48.070   9.3521   73.289   14.751   84.031   8.2127  103.603   10.507 -19.57265 13.33563 
1 1 1   13   15    9 o  201.839   5.7161  277.482   14.599  277.793   17.727  276.827   25.736  202.182   6.4702  201.497   9.4251 0.6853027 11.43228 
1 1 1   13   15   10 o  177.211   6.5010  213.426   15.612  213.426   15.612   0.0000   0.0000  177.211   6.5010  ?   ?       ?      ? 
1 1 1   13   15   11 o  217.356   6.0742  326.500   14.072  329.482   15.689  314.229   31.825  220.294   5.2554  214.418   10.953 5.876740 12.14848 
1 1 1   13   15   12 o  246.812   6.0184  413.860   16.163  413.120   18.091  416.789   35.982  246.657   5.4123  246.967   10.751 -0.3101959 12.03688 
1 1 1   13   15   13 o  226.674   6.1929  333.215   16.897  314.922   19.546  387.308   33.611  215.227   6.7017  238.121   10.416 -22.89368 12.38581 
1 1 1   13   15   14 o  186.143   6.2309  230.393   13.990  223.812   16.294  248.859   27.294  181.444   6.6266  190.841   10.554 -9.396805 12.46181 
1 1 1   13   15   15 o  186.212   6.2741  239.070   14.188  242.578   16.768  230.230   26.618  188.900   6.5505  183.525   10.703 5.375366 12.54810 
1 1 1   13   15   16 o  241.296   6.2361  396.471   18.411  395.888   21.774  397.931   34.483  241.300   6.6588  241.292   10.546 0.7644653E-02 12.47214 
1 1 1   13   15   17 o  205.992   6.1919  291.183   15.481  293.631   18.260  284.925   29.191  207.825   6.4835  204.160   10.551 3.665451 12.38385 
1 1 1   13   15   18 f   69.462   9.2813   26.862   7.6641   19.775   8.7084   51.204   16.141   52.658   12.407   86.267   13.807 -33.60964 18.56256 
1 1 1   13   15   19 o   78.474   10.073   53.113   8.5170   62.222   9.8646   26.437   16.881   95.601   7.6144   61.347   18.651 34.25325 20.14530 
1 1 1   13   15   20 o  116.269   6.8944   83.056   9.6064   73.870   10.986  112.903   19.802  104.149   7.7837  128.388   11.382 -24.23888 13.78878 
1 1 1   13   15   21 o  174.467   6.2118  202.595   13.005  197.061   15.105  218.452   25.568  170.227   6.5482  178.706   10.558 -8.479355 12.42353 
1 1 1   13   15   22 o  146.720   6.4925  144.257   11.286  141.497   13.041  152.487   22.524  144.230   6.6722  149.210   11.140 -4.980148 12.98500 
1 1 1   13   15   23 o  127.624   6.8788  112.723   10.287  114.195   11.916  108.417   20.383  129.555   6.7873  125.692   11.967 3.862549 13.75754 
1 1 1   13   15   24 o  207.922   6.1390  293.565   15.529  291.814   18.279  298.106   29.439  207.125   6.5124  208.718   10.408 -1.593231 12.27791 
1 1 1   13   15   25 o  119.951   7.0944  101.091   10.065  104.122   11.770   92.842   19.418  123.676   7.0227  116.225   12.329 7.451088 14.18881 
1 1 1   13   15   26 o  107.049   8.6035   92.602   9.7486  107.024   11.516   56.127   18.314  125.399   6.7766   88.699   15.816 36.70040 17.20704 
1 1 1   13   15   27 o  206.988   6.2256  293.279   15.679  294.198   18.500  290.934   29.541  207.922   6.5659  206.055   10.579 1.867905 12.45116 
1 1 1   13   15   28 o  105.066   7.5195   76.956   9.3924   78.417   10.981   72.975   18.127  107.259   7.5551  102.872   13.003 4.387299 15.03891 
1 1 1   13   15   29 o  154.543   7.1602  164.459   14.765  168.687   19.413  158.656   22.744  157.073   9.1202  152.013   11.041 5.059830 14.32038 
1 1 1   13   15   30 o  104.542   8.5370   77.439   11.647   85.458   15.111   65.703   18.282  111.671   9.9856   97.412   13.849 14.25912 17.07393 
1 1 1   13   15   31 o  193.853   6.0564  267.089   13.071  275.496   14.885  238.775   27.319  201.283   5.4572  186.422   10.814 14.86113 12.11274 
1 1 1   13   15   32 o  131.600   6.2005  110.871   9.1151  105.498   10.194  132.288   20.355  124.494   6.0427  138.706   10.829 -14.21180 12.40095 
1 1 1   13   15   33 o   82.693   8.2737   47.230   7.2686   46.802   8.1563   48.880   16.022   82.819   7.2674   82.567   14.866 0.2522659 16.54744 
1 1 1   13   15   34 o  125.773   6.5137  109.755   9.0359  110.716   10.193  106.230   19.523  127.515   5.8990  124.031   11.615 3.483154 13.02738 
1 1 1   13   15   35 o  106.847   6.8294   77.701   8.1770   77.126   9.2427   79.771   17.541  106.361   6.4126  107.333   12.060 -0.9725800 13.65884 
1 1 1   13   15   36 o  119.891   6.7743  100.662   8.8707  101.995   9.9861   95.675   19.315  122.335   6.0237  117.448   12.136 4.887360 13.54859 
1 1 1   13   15   37 o   94.531   7.1950   56.060   7.6593   52.078   8.5598   72.056   17.155   87.279   7.2372  101.783   12.438 -14.50375 14.38994 
1 1 1   13   15   38 o  110.790   6.2544   83.763   9.3901   83.763   9.3901   0.0000   0.0000  110.790   6.2544  ?   ?       ?      ? 
1 1 1   13   15   39 o   33.958   12.039   7.0624   6.9395   7.0624   6.9395   0.0000   0.0000   33.958   12.039  ?   ?       ?      ? 
1 1 1   13   15   40 o   42.517   9.5368   13.454   6.3453   17.037   7.2558   1.8057   13.083   48.569   11.246   36.464   15.406 12.10493 19.07354 
1 1 1   13   15   41 o   83.473   7.4121   44.522   7.1644   41.288   8.1025   56.112   15.339   77.544   7.7106   89.403   12.661 -11.85849 14.82420 
1 1 1   13   15   42 o  118.573   7.1253  103.053   10.338  112.316   12.576   83.753   18.153  127.937   7.2537  109.208   12.266 18.72939 14.25063 
1 1 1   13   15   43 o   54.036   10.322   17.220   7.4615   10.304   8.7892   35.066   14.119   39.487   13.580   68.586   15.549 -29.09870 20.64432 
1 1 1   13   15   44 o   90.286   7.6654   54.481   8.7021   50.491   10.354   64.076   16.058   85.371   8.9502   95.201   12.447 -9.830063 15.33087 
1 1 1   13   15   45 o  131.804   6.2526  119.524   9.3088  118.742   10.564  122.243   19.693  131.686   5.9195  131.922   11.015 -0.2365570 12.50518 
1 1 1   13   15   46 o  113.405   6.8289   95.033   8.6796   99.876   9.9823   80.026   17.572  120.680   6.1040  106.130   12.218 14.55029 13.65777 
1 1 1   13   15   47 o  117.973   6.8865  106.808   8.9547  115.592   10.339   80.447   17.912  129.830   5.8768  106.115   12.456 23.71449 13.77292 
1 1 1   13   15   48 f   51.303   9.6754   15.233   6.1739   10.435   7.0248   31.515   12.941   38.268   12.098   64.337   15.102 -26.06907 19.35081 
1 1 1   13   15   49 o  118.947   7.2398  106.446   10.613  119.919   13.162   81.399   17.946  131.587   7.3810  106.306   12.457 25.28172 14.47962 
1 1 1   13   15   50 o   44.825   10.294   12.996   6.9783   8.7158   8.5612   21.469   12.046   36.830   13.334   52.820   15.687 -15.99030 20.58862 
1 1 1   13   15   51 o   38.185   10.092   8.7745   6.6895   8.0544   8.1389   10.274   11.744   35.605   12.984   40.764   15.454 -5.159618 20.18498 
1 1 1   13   15   52 o   59.569   10.549   26.176   8.7947   15.632   11.486   41.118   13.673   45.871   15.527   73.268   14.285 -27.39736 21.09858 
1 1 1   13   15   53 o   44.927   9.4221   15.999   6.3167   9.7875   10.809   19.220   7.7841   39.304   14.844   50.550   11.608 -11.24525 18.84429 
1 1 1   13   15   54 o   59.311   9.0131   25.854   6.6633   29.947   11.813   23.945   8.0696   61.869   14.366   56.753   10.889 5.116211 18.02610 
1 1 1   13   15   55 o   39.501   9.5016   11.565   6.1490   7.3793   10.501   13.749   7.5856   36.497   14.399   42.505   12.401 -6.007946 19.00327 
1 1 1   13   15   56 o   43.205   10.218   14.127   7.0339   15.560   10.229   12.841   9.6881   44.860   14.639   41.550   14.259 3.310291 20.43565 
1 1 1   13   15   57 o   39.371   9.8432   10.209   6.9523   16.942   9.9880   3.8812   9.6830   46.376   14.391   32.367   13.433 14.00887 19.68636 
1 1 1   13   15   58 o   47.379   14.894   17.939   10.660   17.939   10.660   0.0000   0.0000   47.379   14.894  ?   ?       ?      ? 
1 1 1   13   15   59 o   33.354   13.814   4.6025   10.209   4.6025   10.209   0.0000   0.0000   33.354   13.814  ?   ?       ?      ? 
1 1 1   13   15   60 o   26.935   12.018  -1.5854   8.9208  -1.5854   8.9208   0.0000   0.0000   26.935   12.018  ?   ?       ?      ? 
1 1 1   13   16    0 o  199.305   4.8968  270.320   13.180  272.257   17.948  268.054   19.417  200.112   6.6186  198.497   7.2186 1.614502 9.793532 
1 1 1   13   16    1 o  158.865   4.9927  171.444   10.698  169.368   14.410  173.993   15.969  157.822   6.7380  159.907   7.3694 -2.084946 9.985397 
1 1 1   13   16    2 o   64.968   7.8888   29.753   6.6293   31.523   8.6832   27.279   10.264   67.971   9.4269   61.965   12.652 6.005749 15.77762 
1 1 1   13   16    3 o   69.764   7.2032   32.939   6.7273   31.370   8.7670   35.185   10.491   67.798   9.5422   71.730   10.793 -3.931778 14.40639 
1 1 1   13   16    4 o  174.855   4.8989  208.441   11.565  214.454   15.830  201.556   16.937  177.600   6.5775  172.111   7.2618 5.488449 9.797805 
1 1 1   13   16    5 f   94.600   6.2523   60.814   7.9565   59.395   10.574   62.666   12.080   93.364   8.3577   95.837   9.3012 -2.473022 12.50455 
1 1 1   13   16    6 o  152.096   6.8294  157.922   12.295  157.914   14.266  157.945   24.241  152.368   6.9093  151.824   11.782 0.5436249 13.65878 
1 1 1   13   16    7 o  213.512   6.4773  313.151   16.723  315.822   19.682  306.216   31.713  215.495   6.7398  211.529   11.063 3.966400 12.95467 
1 1 1   13   16    8 o  264.752   6.6006  491.393   21.487  511.139   25.788  446.557   38.860  274.112   6.9425  255.392   11.228 18.72037 13.20118 
1 1 1   13   16    9 o   78.448   10.268   44.986   8.8568   46.463   10.087   40.018   18.504   82.528   9.0197   74.367   18.450 8.160774 20.53679 
1 1 1   13   16   10 o  145.024   6.7983  140.403   11.761  136.968   13.624  150.451   23.300  141.877   7.0862  148.171   11.604 -6.293503 13.59662 
1 1 1   13   16   11 o  226.581   6.3117  334.561   17.257  317.226   20.006  384.961   34.113  215.944   6.8365  237.219   10.612 -21.27470 12.62338 
1 1 1   13   16   12 o  262.357   6.0540  444.927   17.163  429.885   19.025  510.678   39.776  251.544   5.5813  273.170   10.745 -21.62604 12.10804 
1 1 1   13   16   13 o  184.081   6.2566  234.007   12.116  235.712   13.450  226.670   27.906  186.283   5.3282  181.880   11.322 4.403030 12.51312 
1 1 1   13   16   14 o  155.222   6.1533  149.202   10.002  141.348   10.940  189.197   24.686  144.232   5.5972  166.211   10.960 -21.97968 12.30663 
1 1 1   13   16   15 o   99.765   7.7589   69.254   7.6792   69.777   8.3969   66.581   18.983  101.307   6.1164   98.223   14.261 3.083961 15.51773 
1 1 1   13   16   16 o  175.546   6.2185  207.655   11.440  206.143   12.639  214.513   26.910  174.193   5.3544  176.899   11.225 -2.705795 12.43691 
1 1 1   13   16   17 o   91.857   9.8634   73.837   7.8728   80.641   8.6426   40.664   19.083  108.917   5.8555   74.796   18.838 34.12140 19.72689 
1 1 1   13   16   18 o  115.892   6.8728   87.549   8.3332   85.211   9.1618   98.749   20.052  111.945   6.0394  119.839   12.348 -7.893898 13.74562 
1 1 1   13   16   19 o  222.518   6.2064  358.766   15.116  375.059   17.177  302.824   31.828  234.933   5.3954  210.102   11.179 24.83099 12.41271 
1 1 1   13   16   20 o  182.414   6.0375  228.471   11.944  229.375   13.375  224.909   26.540  183.719   5.3723  181.108   10.814 2.611237 12.07494 
1 1 1   13   16   21 o  116.552   7.2880  102.218   8.7695  108.166   9.8292   79.009   19.416  126.128   5.7507  106.975   13.394 19.15316 14.57598 
1 1 1   13   16   22 o   70.125   9.6779   33.536   7.5071   32.681   8.4572   36.714   16.302   69.143   9.0260   71.108   17.123 -1.965004 19.35590 
1 1 1   13   16   23 o  183.039   6.2493  229.488   13.604  230.011   15.836  228.014   26.578  183.826   6.3570  182.253   10.761 1.572754 12.49864 
1 1 1   13   16   24 o  117.306   6.9527   92.421   9.5381   90.626   10.950   98.062   19.417  115.319   7.0073  119.293   12.011 -3.974800 13.90549 
1 1 1   13   16   25 o  131.181   6.6389  120.078   9.1494  121.431   10.166  114.311   20.993  133.613   5.6144  128.749   12.032 4.864441 13.27781 
1 1 1   13   16   26 o  188.725   6.0870  254.383   12.526  262.442   14.161  225.390   26.859  196.451   5.3192  180.998   10.951 15.45230 12.17410 
1 1 1   13   16   27 o  135.750   6.1934  118.750   9.1142  114.146   10.105  138.828   21.103  129.505   5.7581  141.995   10.967 -12.48973 12.38674 
1 1 1   13   16   28 o  136.484   6.2857  125.748   9.3998  124.445   10.527  130.870   20.874  135.207   5.7457  137.762   11.182 -2.554749 12.57148 
1 1 1   13   16   29 o  113.124   6.8037   84.071   8.3881   81.573   9.3366   94.526   19.100  109.399   6.2979  116.849   12.062 -7.450256 13.60742 
1 1 1   13   16   30 o   33.401   9.7367  -1.9131   5.8240  -4.9472   6.4216   12.151   13.826   21.026   9.6962   45.775   16.888 -24.74837 19.47342 
1 1 1   13   16   31 o   70.901   8.9874   34.503   6.7268   33.779   7.4893   37.525   15.302   70.246   7.8675   71.557   16.162 -1.311890 17.97486 
1 1 1   13   16   32 o  117.937   6.0649   94.856   9.6930   94.856   9.6930   0.0000   0.0000  117.937   6.0649  ?   ?       ?      ? 
1 1 1   13   16   33 o  150.419   5.6323  154.217   11.481  154.217   11.481   0.0000   0.0000  150.419   5.6323  ?   ?       ?      ? 
1 1 1   13   16   34 o   68.427   9.8965   31.905   8.0941   29.935   9.4117   37.499   15.862   65.742   10.564   71.113   16.738 -5.370377 19.79295 
1 1 1   13   16   35 o   49.225   10.487   17.887   7.4370   20.007   8.9357   13.107   13.415   52.441   12.707   46.009   16.687 6.432682 20.97425 
1 1 1   13   16   36 o   45.572   10.713   14.088   7.3012   14.296   8.6637   13.579   13.563   44.682   13.312   46.463   16.789 -1.781013 21.42611 
1 1 1   13   16   37 o   43.333   10.599   11.500   7.0454   9.7937   8.3717   15.643   13.044   38.618   13.255   48.049   16.542 -9.431026 21.19707 
1 1 1   13   16   38 o   62.978   9.6618   30.323   7.5971   33.112   9.1317   24.052   13.692   69.069   9.7564   56.887   16.680 12.18127 19.32368 
1 1 1   13   16   39 o   40.582   10.002   11.066   6.8041   13.927   8.1137   4.2867   12.490   43.874   12.833   37.290   15.346 6.583614 20.00483 
1 1 1   13   16   40 o   71.199   7.8749   31.159   6.5254   27.476   7.3483   44.895   14.192   62.999   8.6074   79.399   13.190 -16.39999 15.74984 
1 1 1   13   16   41 o   65.495   9.3061   34.257   6.7591   36.904   7.7023   25.389   14.096   73.110   7.7742   57.879   16.911 15.23140 18.61226 
1 1 1   13   16   42 o   77.933   8.5389   43.279   7.0950   42.934   7.9853   44.572   15.462   78.865   7.4718   77.001   15.357 1.864349 17.07784 
1 1 1   13   16   43 o   62.423   9.3875   35.088   6.8632   40.995   7.8350   15.605   14.229   77.007   7.5080   47.840   17.209 29.16671 18.77508 
1 1 1   13   16   44 f  119.195   6.4201   95.153   8.7300   91.730   9.8835  107.304   18.622  115.469   6.3163  122.920   11.179 -7.450485 12.84014 
1 1 1   13   16   45 o   68.589   9.8223   37.941   8.1619   42.446   9.7876   27.657   14.788   77.779   9.2861   59.399   17.311 18.37953 19.64466 
1 1 1   13   16   46 o   44.403   9.6993   15.163   7.1575   21.422   8.7822   2.7810   12.352   53.488   12.364   35.319   14.948 18.16872 19.39852 
1 1 1   13   16   47 o   76.050   9.2048   43.870   8.3147   45.398   9.9467   40.324   15.149   80.287   9.1422   71.813   15.979 8.474274 18.40958 
1 1 1   13   16   48 o   72.127   9.2035   38.509   8.0606   38.076   9.6597   39.502   14.627   73.234   9.7335   71.019   15.623 2.215218 18.40694 
1 1 1   13   16   49 o   64.678   11.456   33.564   10.046   36.394   13.934   30.500   14.498   67.950   15.478   61.406   16.894 6.544361 22.91217 
1 1 1   13   16   50 o   40.126   10.254   11.169   6.9269   12.004   8.3627   9.3438   12.364   40.348   13.240   39.904   15.662 0.4437027 20.50835 
1 1 1   13   16   51 o   66.568   9.4801   33.946   7.8007   34.272   9.4154   33.233   13.930   69.047   10.063   64.088   16.070 4.959305 18.96011 
1 1 1   13   16   52 o   75.854   9.3898   41.161   9.6520   41.161   9.6520   0.0000   0.0000   75.854   9.3898  ?   ?       ?      ? 
1 1 1   13   16   53 o   26.820   11.628   0.2031   7.8138   0.2031   7.8138   0.0000   0.0000   26.820   11.628  ?   ?       ?      ? 
1 1 1   13   16   54 o   58.104   11.511   25.632   8.7431   25.632   8.7431   0.0000   0.0000   58.104   11.511  ?   ?       ?      ? 
1 1 1   13   16   55 o   33.450   12.695   6.9493   7.9293   6.9493   7.9293   0.0000   0.0000   33.450   12.695  ?   ?       ?      ? 
1 1 1   13   17    0 o  227.993   5.0416  354.420   15.528  361.458   21.264  346.378   22.730  230.470   6.8085  225.517   7.4375 4.952789 10.08325 
1 1 1   13   17    1 o  294.485   5.2448  590.850   20.898  594.647   28.823  586.641   30.344  295.527   7.1972  293.443   7.6308 2.084442 10.48951 
1 1 1   13   17    2 o  208.329   4.9763  293.359   13.982  275.164   18.693  316.466   21.065  201.072   6.8602  215.585   7.2105 -14.51289 9.952540 
1 1 1   13   17    3 o  111.090   5.7043   82.437   8.4998   70.488   11.153   98.996   13.129  101.678   8.0941  120.502   8.0400 -18.82401 11.40853 
1 1 1   13   17    4 o  171.584   5.0053  198.624   11.567  184.773   15.361  216.768   17.581  164.760   6.8797  178.408   7.2719 -13.64790 10.01057 
1 1 1   13   17    5 o  167.719   5.0681  193.246   11.415  211.409   15.661  172.661   16.673  176.269   6.5565  159.169   7.7300 17.10008 10.13613 
1 1 1   13   17    6 o  128.544   5.4137  113.291   9.3533  119.154   12.657  106.239   13.883  132.285   7.0608  124.802   8.2085 7.482468 10.82747 
1 1 1   13   17    7 o  145.426   5.2894  145.570   10.306  157.374   13.953  131.401   15.287  152.053   6.7715  138.800   8.1276 13.25230 10.57880 
1 1 1   13   17    8 o  216.751   4.9900  319.640   14.604  316.473   19.782  323.433   21.650  215.616   6.7702  217.887   7.3323 -2.270432 9.979901 
1 1 1   13   17    9 o  168.772   5.0728  193.330   11.547  187.306   15.489  200.866   17.323  165.857   6.8914  171.686   7.4459 -5.828354 10.14559 
1 1 1   13   17   10 o  201.860   6.6367  282.509   15.967  286.953   18.675  270.433   30.789  205.305   6.7125  198.414   11.451 6.891022 13.27336 
1 1 1   13   17   11 o  160.444   6.8042  190.811   11.295  200.137   12.629  153.552   25.244  171.593   5.4312  149.296   12.478 22.29750 13.60843 
1 1 1   13   17   12 o  162.290   6.7761  194.885   11.372  204.142   12.710  157.700   25.472  173.298   5.4120  151.282   12.425 22.01529 13.55223 
1 1 1   13   17   13 o  106.343   7.7324   76.130   9.1561   74.998   10.305   80.374   19.954  104.898   7.2493  107.788   13.661 -2.889671 15.46488 
1 1 1   13   17   14 o  108.599   8.0543   87.406   9.4134   92.197   10.672   70.619   19.978  116.342   6.7693  100.855   14.617 15.48726 16.10867 
1 1 1   13   17   15 o  113.056   7.6035   86.639   9.4800   85.814   10.646   89.799   20.837  112.214   7.0007  113.898   13.500 -1.684616 15.20702 
1 1 1   13   17   16 o  112.261   7.9039   92.690   9.7187   97.577   11.077   76.348   20.257  119.664   6.8308  104.858   14.256 14.80612 15.80774 
1 1 1   13   17   17 o  110.236   7.6023   85.863   8.4218   87.075   9.2557   80.027   20.303  113.103   6.0388  107.368   13.954 5.735268 15.20466 
1 1 1   13   17   18 o  175.756   6.0099  189.449   11.276  177.344   12.381  248.365   27.313  161.445   5.6590  190.067   10.604 -28.62109 12.01976 
1 1 1   13   17   19 o  142.248   6.4738  133.585   9.8324  130.538   10.887  147.071   22.903  138.486   5.8011  146.010   11.575 -7.524612 12.94753 
1 1 1   13   17   20 o  118.983   7.4139  104.854   8.9653  109.242   9.9601   86.123   20.580  126.675   5.8021  111.292   13.645 15.38302 14.82781 
1 1 1   13   17   21 o   46.419   11.321   12.697   7.5154   11.501   8.5106   16.936   16.016   41.204   13.347   51.634   18.291 -10.42987 22.64291 
1 1 1   13   17   22 o  135.397   6.7894  122.503   11.036  118.663   12.816  133.525   21.712  131.819   7.1742  138.975   11.529 -7.155411 13.57885 
1 1 1   13   17   23 o  147.269   6.8106  151.239   11.855  153.562   13.807  144.721   23.127  149.993   6.7928  144.546   11.807 5.446991 13.62130 
1 1 1   13   17   24 o  135.044   7.1371  131.430   11.182  137.566   13.022  114.197   21.822  141.946   6.7695  128.143   12.567 13.80336 14.27414 
1 1 1   13   17   25 o   69.439   9.8000   33.220   9.2217   33.220   9.2217   0.0000   0.0000   69.439   9.8000  ?   ?       ?      ? 
1 1 1   13   17   26 o  140.397   6.9444  134.741   13.212  134.741   13.212   0.0000   0.0000  140.397   6.9444  ?   ?       ?      ? 
1 1 1   13   17   27 o  111.947   7.6610   85.876   11.622   85.876   11.622   0.0000   0.0000  111.947   7.6610  ?   ?       ?      ? 
1 1 1   13   17   28 o   54.897   10.593   23.412   7.7879   26.268   9.0479   15.249   15.299   60.534   11.449   49.260   17.827 11.27396 21.18672 
1 1 1   13   17   29 o   77.043   9.1717   44.530   7.3827   46.102   8.3146   38.671   16.049   81.997   7.4828   72.090   16.748 9.906746 18.34347 
1 1 1   13   17   30 o   30.050   9.2350   0.6241   5.8244   1.5501   6.4745  -3.3048   13.336   26.632   11.013   33.467   14.827 -6.834230 18.47001 
1 1 1   13   17   31 o   43.345   9.3914   14.562   6.0816   17.774   6.8348   2.3471   13.327   49.685   10.481   37.005   15.587 12.67954 18.78276 
1 1 1   13   17   32 o   39.565   10.032   9.8992   6.0357   10.842   6.7080   5.8914   13.833   39.068   11.730   40.061   16.279 -0.9929619 20.06476 
1 1 1   13   17   33 f   82.545   8.6688   47.471   8.4041   46.088   9.8249   51.243   16.225   81.616   8.8832   83.474   14.889 -1.858215 17.33763 
1 1 1   13   17   34 o   87.436   8.6682   60.068   7.6327   63.952   8.6169   45.921   16.447   96.559   6.5853   78.313   16.037 18.24633 17.33649 
1 1 1   13   17   35 o   75.409   8.7097   39.627   7.0721   38.687   7.9513   43.187   15.473   74.872   7.8367   75.947   15.557 -1.075325 17.41943 
1 1 1   13   17   36 o   92.153   7.4214   58.891   7.6386   58.370   8.6308   60.775   16.409   92.112   6.9144   92.194   13.134 -0.8130646E-01 14.84278 
1 1 1   13   17   37 o   97.744   7.4108   70.312   7.8774   72.783   8.9231   61.584   16.770  102.928   6.3973   92.560   13.370 10.36758 14.82164 
1 1 1   13   17   38 o   82.916   8.4066   52.451   7.2873   54.762   8.2720   44.442   15.401   89.147   6.8473   76.685   15.356 12.46233 16.81311 
1 1 1   13   17   39 f  108.274   7.1331   79.812   9.6546   75.678   11.483   89.781   17.832  104.368   8.1192  112.179   11.730 -7.810524 14.26615 
1 1 1   13   17   40 o   73.683   8.8196   35.952   8.1716   29.261   9.7701   51.529   14.908   63.046   11.871   84.321   13.047 -21.27472 17.63919 
1 1 1   13   17   41 o   73.399   8.9695   39.743   8.0199   40.014   9.6917   39.156   14.284   75.386   9.4869   71.412   15.225 3.973640 17.93910 
1 1 1   13   17   42 o   68.605   9.5658   36.414   7.9609   38.441   9.5519   31.805   14.406   73.780   9.5536   63.430   16.575 10.35036 19.13162 
1 1 1   13   17   43 o   72.292   9.2492   38.593   8.1700   38.048   9.8304   39.809   14.691   73.189   9.9116   71.395   15.619 1.794296 18.49846 
1 1 1   13   17   44 o   34.625   9.7305   5.7436   7.0228   9.6663   8.3796  -3.5144   12.873   37.564   13.238   31.686   14.264 5.877993 19.46095 
1 1 1   13   17   45 o   89.521   7.9960   55.424   8.9672   51.270   10.648   65.557   16.630   85.004   9.2435   94.038   13.050 -9.034218 15.99191 
1 1 1   13   17   46 o  109.356   7.4877   85.436   9.8792   84.385   11.590   88.228   18.891  109.673   7.7986  109.039   12.785 0.6335297 14.97542 
1 1 1   13   17   47 o   93.167   8.4050   61.354   10.612   61.354   10.612   0.0000   0.0000   93.167   8.4050  ?   ?       ?      ? 
1 1 1   13   17   48 o   32.058   12.587   5.4465   7.9891   5.4465   7.9891   0.0000   0.0000   32.058   12.587  ?   ?       ?      ? 
1 1 1   13   17   49 o   41.631   12.869   13.255   7.9957   13.255   7.9957   0.0000   0.0000   41.631   12.869  ?   ?       ?      ? 
1 1 1   13   17   50 f   32.029   12.478   5.7241   7.8022   5.7241   7.8022   0.0000   0.0000   32.029   12.478  ?   ?       ?      ? 
1 1 1   13   17   51 o   44.580   12.912   15.536   8.2500   15.536   8.2500   0.0000   0.0000   44.580   12.912  ?   ?       ?      ? 
1 1 1   13   18    0 o   51.803   16.781   18.398   13.452   0.0000   0.0000   18.398   13.452  ?   ?    51.803   16.781      ?      ? 
1 1 1   13   18    1 o   98.668   12.047   67.181   16.107   0.0000   0.0000   67.181   16.107  ?   ?    98.668   12.047      ?      ? 
1 1 1   13   18    2 o   98.805   9.4368   66.905   12.635   0.0000   0.0000   66.905   12.635  ?   ?    98.805   9.4368      ?      ? 
1 1 1   13   18    3 o   86.479   8.3325   53.859   9.0796   36.770   12.959   70.337   12.725   71.637   13.850  101.321   9.2680 -29.68371 16.66491 
1 1 1   13   18    4 o  145.827   6.1734  147.676   12.015  127.391   17.744  164.853   16.328  136.288   9.6075  155.365   7.7552 -19.07639 12.34689 
1 1 1   13   18    5 o  180.287   5.8279  220.063   14.038  234.885   22.052  209.965   18.202  185.230   8.7852  175.344   7.6602 9.885544 11.65585 
1 1 1   13   18    6 o   74.197   7.5703   37.308   7.5407   33.826   9.8743   42.180   11.680   70.140   10.389   78.253   11.014 -8.112785 15.14066 
1 1 1   13   18    7 o  115.637   5.7686   89.511   8.9328   79.125   11.597  104.661   14.007  107.590   7.9544  123.683   8.3568 -16.09305 11.53724 
1 1 1   13   18    8 o  159.525   5.2965  177.349   11.205  208.919   15.403  141.861   16.331  175.070   6.4925  143.979   8.3700 31.09152 10.59294 
1 1 1   13   18    9 o  108.454   5.9696   79.836   8.6314   76.856   11.152   84.288   13.632  106.038   7.7606  110.871   9.0729 -4.832314 11.93922 
1 1 1   13   18   10 o   95.286   8.0171   56.580   8.8802   51.466   10.029   75.140   19.107   86.683   8.5379  103.888   13.572 -17.20556 16.03413 
1 1 1   13   18   11 f   86.468   8.1085   42.254   7.1719   38.078   7.7418   67.528   19.045   74.631   7.6549   98.304   14.297 -23.67332 16.21701 
1 1 1   13   18   12 o  139.780   6.9974  142.920   9.9588  147.848   11.045  121.492   23.030  147.363   5.5308  132.197   12.856 15.16599 13.99485 
1 1 1   13   18   13 f  151.642   6.5410  154.158   10.414  151.981   11.497  164.105   24.579  149.378   5.6797  153.906   11.785 -4.527908 13.08193 
1 1 1   13   18   14 o  129.710   7.1790  121.258   9.5095  124.294   10.527  107.799   22.169  135.068   5.7515  124.351   13.156 10.71678 14.35791 
1 1 1   13   18   15 o   84.489   10.309   64.655   8.0112   71.696   8.8479   32.621   18.872  102.509   6.3694   66.468   19.609 36.04024 20.61757 
1 1 1   13   18   16 o  123.310   7.4466  110.140   9.2941  112.973   10.269   97.307   21.856  128.729   5.8866  117.892   13.681 10.83721 14.89324 
1 1 1   13   18   17 o   79.425   7.4039   43.174   7.9689   43.174   7.9689   0.0000   0.0000   79.425   7.4039  ?   ?       ?      ? 
1 1 1   13   18   18 o  103.989   6.3766   73.839   8.9858   73.839   8.9858   0.0000   0.0000  103.989   6.3766  ?   ?       ?      ? 
1 1 1   13   18   19 o  114.424   6.1443   89.377   9.5274   89.377   9.5274   0.0000   0.0000  114.424   6.1443  ?   ?       ?      ? 
1 1 1   13   18   20 o   77.208   10.245   57.570   7.7476   65.650   8.5805   21.910   18.026   98.012   6.4603   56.403   19.444 41.60984 20.48960 
1 1 1   13   18   21 o  100.853   7.9022   72.813   8.1786   73.999   9.0488   67.519   19.114  104.046   6.4177   97.661   14.443 6.385078 15.80434 
1 1 1   13   18   22 o  155.057   6.5491  175.063   10.827  181.382   12.174  151.154   23.681  163.061   5.5093  147.053   11.883 16.00774 13.09828 
1 1 1   13   18   23 o  125.509   6.9370  109.916   9.1771  110.406   10.195  107.824   21.067  127.130   5.9179  123.888   12.549 3.241920 13.87397 
1 1 1   13   18   24 o   85.146   7.9936   46.756   7.2995   44.442   8.0553   57.376   17.260   80.453   7.3885   89.839   14.177 -9.386078 15.98721 
1 1 1   13   18   25 o   99.375   6.9826   58.499   7.5607   52.572   8.3112   86.936   18.206   87.537   7.0064  111.214   12.080 -23.67718 13.96514 
1 1 1   13   18   26 o   77.671   9.2399   45.711   7.1218   47.055   7.8924   39.819   16.524   82.787   7.0350   72.556   17.088 10.23138 18.47973 
1 1 1   13   18   27 o   76.855   9.1272   43.726   7.1049   44.454   7.8967   40.630   16.280   80.406   7.2473   73.303   16.754 7.102722 18.25431 
1 1 1   13   18   28 o   71.707   9.5219   43.264   7.0114   47.277   7.8689   27.804   15.445   82.931   7.0019   60.484   17.710 22.44683 19.04383 
1 1 1   13   18   29 o   60.702   9.3063   34.749   6.7876   41.369   7.6498   10.249   14.717   77.499   7.2841   43.905   17.128 33.59395 18.61266 
1 1 1   13   18   30 o   53.952   9.9400   20.437   6.3512   19.584   7.1456   23.648   13.860   51.971   10.507   55.934   16.876 -3.962467 19.88001 
1 1 1   13   18   31 o   76.860   7.8865   38.120   6.9147   35.290   7.7720   48.868   15.146   71.377   8.0351   82.343   13.573 -10.96655 15.77307 
1 1 1   13   18   32 o   79.102   8.4481   46.512   7.1321   47.615   8.1011   42.711   15.038   83.049   7.1982   75.155   15.286 7.893478 16.89630 
1 1 1   13   18   33 o   39.153   9.5510   9.5218   7.1896   17.092   8.8144  -5.5262   12.427   47.856   13.175   30.451   13.831 17.40469 19.10200 
1 1 1   13   18   34 o   57.990   9.8373   27.204   7.6397   31.861   9.2575   17.260   13.527   67.180   10.169   48.800   16.843 18.38029 19.67453 
1 1 1   13   18   35 f   40.091   10.454   8.8377   7.0767   5.9227   8.5107   15.369   12.739   33.698   13.059   46.484   16.328 -12.78575 20.90750 
1 1 1   13   18   36 o   42.129   9.6831   13.245   7.0304   18.885   8.4480   0.5403   12.679   50.124   12.484   34.134   14.805 15.99027 19.36628 
1 1 1   13   18   37 o   45.430   10.385   15.438   7.0352   16.273   8.4254   13.515   12.785   46.430   12.919   44.429   16.263 2.000473 20.76972 
1 1 1   13   18   38 o   34.384   9.7011   5.4914   6.9576   9.1186   8.3701  -2.6190   12.516   36.957   13.209   31.811   14.212 5.145769 19.40221 
1 1 1   13   18   39 o   64.485   9.9624   32.921   8.0034   34.988   9.5802   28.146   14.561   69.991   10.101   58.980   17.175 11.01095 19.92485 
1 1 1   13   18   40 o   51.606   10.078   22.658   7.4877   27.103   8.8390   11.362   14.091   60.374   11.217   42.839   16.747 17.53508 20.15593 
1 1 1   13   18   41 o   30.657   9.0114   1.6398   6.7762   7.8342   7.9172 -15.3265   13.103   34.834   12.791   26.480   12.697 8.353201 18.02273 
1 1 1   13   18   42 o   52.207   12.400   20.898   8.6426   20.898   8.6426   0.0000   0.0000   52.207   12.400  ?   ?       ?      ? 
1 1 1   13   18   43 o   35.219   13.068   8.0253   8.3019   8.0253   8.3019   0.0000   0.0000   35.219   13.068  ?   ?       ?      ? 
1 1 1   13   18   44 o   46.432   12.803   16.737   8.3164   16.737   8.3164   0.0000   0.0000   46.432   12.803  ?   ?       ?      ? 
1 1 1   13   18   45 o   31.169   12.448   4.7632   7.9371   4.7632   7.9371   0.0000   0.0000   31.169   12.448  ?   ?       ?      ? 
1 1 1   13   18   46 o   67.262   9.9925   32.827   9.1081   32.827   9.1081   0.0000   0.0000   67.262   9.9925  ?   ?       ?      ? 
1 1 1   13   19    0 o  125.662   5.7003  108.279   9.6297  108.120   12.834  108.482   14.567  125.653   7.5373  125.672   8.5535 -0.1928711E-01 11.40054 
1 1 1   13   19    1 o   47.401   9.7675   14.480   6.8189   8.3841   8.7200   24.076   10.940   37.374   13.469   57.427   14.150 -20.05302 19.53509 
1 1 1   13   19    2 o   34.955   9.3898   3.1393   6.4282  -2.8025   8.1402   12.984   10.478   25.885   11.520   44.024   14.831 -18.13890 18.77958 
1 1 1   13   19    3 o   80.910   7.1975   44.720   7.7778   42.288   10.065   48.325   12.255   78.317   9.4835   83.503   10.830 -5.185875 14.39507 
1 1 1   13   19    4 o   85.520   7.0597   50.621   8.0874   51.151   10.696   49.914   12.358   86.174   9.1593   84.865   10.745 1.308197 14.11937 
1 1 1   13   19    5 o   99.453   8.0902   69.349   10.630   71.579   13.736   66.020   16.785  101.771   9.9599   97.134   12.752 4.636871 16.18032 
1 1 1   13   19    6 o   72.713   9.8854   43.568   8.4713   51.456   10.151   25.471   15.375   86.483   8.6616   58.943   17.773 27.53983 19.77086 
1 1 1   13   19    7 o   85.847   8.0140   47.762   8.6353   42.589   10.202   60.833   16.216   78.532   9.5865   93.162   12.845 -14.63017 16.02795 
1 1 1   13   19    8 o   47.921   12.135   14.293   10.150   9.6956   14.341   18.906   14.366   43.762   16.954   52.081   17.366 -8.318691 24.26956 
1 1 1   13   19    9 o   96.608   9.2836   65.555   12.143   69.428   17.436   61.907   16.922   99.426   12.941   93.790   13.314 5.635620 18.56727 
1 1 1   13   19   10 o  142.057   8.1160  154.858   12.725  168.215   14.715  115.245   25.340  156.726   6.9283  127.388   14.679 29.33763 16.23199 
1 1 1   13   19   12 o  101.340   8.7438   73.511   8.3998   74.138   9.1091   69.947   21.712  104.094   6.4576   98.586   16.252 5.508102 17.48767 
1 1 1   13   19   13 o  133.473   7.0251  130.357   9.7382  134.618   10.858  112.837   22.017  140.401   5.7068  126.546   12.839 13.85506 14.05024 
1 1 1   13   19   14 o  109.564   8.0991   95.476   8.6992  102.242   9.6815   67.116   19.821  122.320   5.8406   96.808   15.109 25.51212 16.19828 
1 1 1   13   19   15 o   79.333   9.5631   48.523   7.3197   50.208   8.0591   40.582   17.493   85.551   6.9515   73.115   17.818 12.43642 19.12617 
1 1 1   13   19   16 o   91.177   9.0462   67.396   7.7589   71.940   8.6184   47.960   17.823  102.518   6.2037   79.836   16.995 22.68195 18.09231 
1 1 1   13   19   17 o  122.551   7.0505  105.627   9.0156  106.287   9.9939  102.739   20.893  124.648   5.9165  120.454   12.800 4.193817 14.10096 
1 1 1   13   19   18 o   90.514   9.7833   74.690   8.1256   84.118   9.1089   37.960   17.979  110.842   6.0642   70.186   18.603 40.65631 19.56660 
1 1 1   13   19   19 o   79.933   9.6147   52.444   7.4435   56.005   8.2677   37.204   17.102   90.308   6.7558   69.558   18.004 20.74999 19.22940 
1 1 1   13   19   20 o   43.916   9.1136   16.017   6.3435   20.886   7.0503  -4.6815   14.535   53.902   10.021   33.929   15.225 19.97290 18.22725 
1 1 1   13   19   21 o  101.744   7.2314   69.958   7.9173   68.357   8.7981   76.770   18.154   99.770   6.5074  103.717   12.916 -3.947189 14.46282 
1 1 1   13   19   22 o   66.581   9.1442   26.028   6.4800   22.359   7.1039   44.207   15.813   56.645   9.2545   76.518   15.774 -19.87292 18.28848 
1 1 1   13   19   23 o   40.536   10.050   6.0966   5.6860   2.8071   6.2609   21.582   13.584   27.462   11.024   53.610   16.807 -26.14847 20.09987 
1 1 1   13   19   24 o   41.764   9.2115   13.742   5.8875   16.933   6.5697   0.7275   13.268   48.212   10.364   35.315   15.231 12.89699 18.42301 
1 1 1   13   19   25 o   84.096   8.5042   53.452   7.2597   55.056   8.1337   47.165   16.099   89.387   6.7148   78.805   15.627 10.58272 17.00844 
1 1 1   13   19   26 o   60.067   9.6765   31.763   7.6121   38.819   8.9353   13.088   14.536   74.555   8.8440   45.578   17.214 28.97721 19.35297 
1 1 1   13   19   27 o   77.523   9.4264   47.805   8.2956   52.150   9.7958   36.789   15.598   86.500   8.3568   68.547   16.899 17.95348 18.85274 
1 1 1   13   19   28 o   61.530   10.038   31.173   7.7848   35.085   9.1414   20.850   14.851   70.589   9.5563   52.470   17.657 18.11923 20.07677 
1 1 1   13   19   29 o   61.826   10.153   28.103   7.6753   26.677   9.0179   31.853   14.620   60.139   11.484   63.512   16.748 -3.372261 20.30681 
1 1 1   13   19   30 o   71.156   9.9402   40.361   8.3273   43.291   9.8146   32.833   15.734   78.376   9.2407   63.936   17.602 14.43961 19.88046 
1 1 1   13   19   31 o   91.138   7.6881   53.848   8.7036   46.238   10.164   74.763   16.851   80.916   9.2696  101.359   12.268 -20.44280 15.37624 
1 1 1   13   19   32 o   57.945   9.5164   30.059   7.7254   38.648   9.2265   9.9138   14.130   73.927   9.2098   41.963   16.656 31.96443 19.03276 
1 1 1   13   19   33 o   39.361   10.433   9.4893   7.0230   8.5029   8.3738   11.829   12.895   36.121   13.171   42.601   16.184 -6.480309 20.86583 
1 1 1   13   19   34 o   39.750   10.464   8.2258   6.9260   4.8774   8.1096   17.251   13.314   31.792   12.618   47.708   16.696 -15.91638 20.92807 
1 1 1   13   19   35 o   57.106   10.322   26.439   7.6403   27.973   9.0640   22.672   14.200   61.205   11.346   53.007   17.246 8.197849 20.64366 
1 1 1   13   19   36 o   77.850   9.3218   43.234   9.8342   43.234   9.8342   0.0000   0.0000   77.850   9.3218  ?   ?       ?      ? 
1 1 1   13   19   37 o   62.063   11.277   28.856   9.1350   28.856   9.1350   0.0000   0.0000   62.063   11.277  ?   ?       ?      ? 
1 1 1   13   19   38 o   31.477   12.416   5.1193   7.8064   5.1193   7.8064   0.0000   0.0000   31.477   12.416  ?   ?       ?      ? 
1 1 1   13   19   39 o   27.291   11.620   1.2603   7.5411   1.2603   7.5411   0.0000   0.0000   27.291   11.620  ?   ?       ?      ? 
1 1 1   13   19   40 o   48.793   12.523   18.525   8.3223   18.525   8.3223   0.0000   0.0000   48.793   12.523  ?   ?       ?      ? 
1 1 1   13   19   41 o   42.839   12.920   14.258   8.1248   14.258   8.1248   0.0000   0.0000   42.839   12.920  ?   ?       ?      ? 
1 1 1   13   20    0 o   50.411   9.4721   18.764   6.4981   19.124   8.3579   18.213   10.332   51.069   12.237   49.752   14.462 1.316708 18.94417 
1 1 1   13   20    1 o   51.293   9.3411   19.729   6.4808   21.388   8.2930   17.127   10.387   54.171   11.643   48.416   14.610 5.755531 18.68216 
1 1 1   13   20    2 o   77.481   9.6725   39.121   8.2538   35.780   9.2413   52.295   18.351   71.724   9.5079   83.238   16.847 -11.51337 19.34497 
1 1 1   13   20    3 o   84.181   8.9206   45.283   8.6402   41.256   9.7242   60.384   18.831   77.046   9.3137   91.316   15.217 -14.27008 17.84128 
1 1 1   13   20    4 o   54.080   10.853   23.046   7.6725   25.143   8.5980   14.848   17.000   58.939   11.174   49.220   18.610 9.718536 21.70675 
1 1 1   13   20    5 o  100.921   8.2249   69.944   9.3131   68.449   10.513   75.398   20.076   99.589   7.7896  102.254   14.488 -2.665230 16.44972 
1 1 1   13   20    6 o   98.136   6.2715   66.537   8.1537   65.370   10.447   68.357   13.042   97.276   7.9250   98.995   9.7220 -1.718849 12.54291 
1 1 1   13   20    7 o  106.082   6.1043   77.824   8.6354   76.780   11.225   79.339   13.516  105.422   7.8574  106.741   9.3439 -1.318413 12.20852 
1 1 1   13   20    8 o   95.403   6.5724   65.741   8.1571   76.438   10.788   51.461   12.465  105.243   7.5640   85.563   10.750 19.67995 13.14472 
1 1 1   13   20    9 o  113.400   7.9306   91.847   10.319   92.918   11.857   88.506   20.948  116.019   7.5415  110.781   13.954 5.237846 15.86118 
1 1 1   13   20   10 f   95.733   9.1703   67.860   9.0491   68.975   10.148   63.529   19.996   99.951   7.4920   91.516   16.741 8.434776 18.34057 
1 1 1   13   20   11 o   82.485   7.1412   46.914   7.9823   46.914   7.9823   0.0000   0.0000   82.485   7.1412  ?   ?       ?      ? 
1 1 1   13   20   12 o  110.482   8.0469   85.858   8.4720   85.607   9.1742   87.311   22.079  111.677   6.0621  109.286   14.908 2.391174 16.09375 
1 1 1   13   20   13 f   93.373   8.6257   64.491   7.7947   65.383   8.5829   60.292   18.621   97.486   6.4969   89.259   15.981 8.226616 17.25130 
1 1 1   13   20   14 o   88.729   8.6488   55.461   7.5639   54.690   8.3054   59.209   18.313   89.055   6.8821   88.403   15.870 0.6522675 17.29758 
1 1 1   13   20   15 o   86.333   10.036   66.627   7.9307   72.845   8.7750   38.902   18.530  102.904   6.2926   69.762   19.060 33.14241 20.07205 
1 1 1   13   20   16 o   99.806   8.6885   80.839   8.2706   86.280   9.2325   58.730   18.609  112.025   6.0817   87.586   16.278 24.43915 17.37710 
1 1 1   13   20   17 o   33.540   9.3999   5.8196   5.8147   8.1763   6.3527  -6.3532   14.438   34.523   11.548   32.558   14.835 1.964996 18.79970 
1 1 1   13   20   18 o   45.086   10.653   14.261   6.8825   14.241   7.8330   14.328   14.414   43.793   12.552   46.378   17.217 -2.585114 21.30677 
1 1 1   13   20   19 f   52.663   9.7897   23.073   7.1840   27.174   8.2991   10.814   14.349   62.024   9.8739   43.303   16.907 18.72136 19.57940 
1 1 1   13   20   20 o   53.231   11.912   21.265   9.6103   17.006   12.643   27.093   14.790   47.966   16.291   58.496   17.384 -10.52993 23.82457 
1 1 1   13   20   21 o   54.553   10.754   22.798   9.7966   38.445   13.152   3.2962   14.683   71.096   14.149   38.010   16.200 33.08648 21.50861 
1 1 1   13   20   22 o   45.706   11.590   14.746   9.3985   19.213   12.279   8.4287   14.604   50.035   16.015   41.377   16.757 8.657295 23.17909 
1 1 1   13   20   23 o   37.691   10.783   5.7140   8.9228   11.531   11.866  -1.8547   13.535   41.887   15.607   33.495   14.884 8.392174 21.56651 
1 1 1   13   20   24 o   64.723   11.261   34.206   9.8899   39.611   12.934   26.597   15.346   72.103   13.739   57.343   17.845 14.75985 22.52125 
1 1 1   13   20   25 o   47.678   11.665   17.165   9.1061   17.841   11.746   16.146   14.416   48.157   15.686   47.200   17.271 0.9569702 23.33069 
1 1 1   13   20   26 o   44.503   11.400   13.545   8.8098   10.037   11.522   18.482   13.670   39.982   15.271   49.025   16.931 -9.043064 22.80062 
1 1 1   13   20   27 o   66.729   11.355   35.975   10.117   37.782   13.518   33.675   15.252   69.413   14.822   64.045   17.207 5.368034 22.71055 
1 1 1   13   20   28 o   36.241   10.781   4.2626   8.9354   2.7948   11.891   6.1666   13.543   34.227   14.583   38.255   15.883 -4.027790 21.56201 
1 1 1   13   20   29 o   65.097   15.567   34.027   13.547   34.027   13.547   0.0000   0.0000   65.097   15.567  ?   ?       ?      ? 
1 1 1   13   20   30 o   69.281   15.265   38.341   13.945   38.341   13.945   0.0000   0.0000   69.281   15.265  ?   ?       ?      ? 
1 1 1   13   20   31 o   64.685   15.766   33.991   13.694   33.991   13.694   0.0000   0.0000   64.685   15.766  ?   ?       ?      ? 
1 1 1   13   20   32 o   76.188   14.063   45.418   13.985   45.418   13.985   0.0000   0.0000   76.188   14.063  ?   ?       ?      ? 
1 1 1   13   20   33 o   81.028   13.243   49.852   14.542   49.852   14.542   0.0000   0.0000   81.028   13.243  ?   ?       ?      ? 
1 1 1   13   20   34 o   68.259   15.351   37.836   13.855   37.836   13.855   0.0000   0.0000   68.259   15.351  ?   ?       ?      ? 
1 1 1   13   20   35 o   60.939   16.070   30.919   13.460   30.919   13.460   0.0000   0.0000   60.939   16.070  ?   ?       ?      ? 
1 1 1   13   20   36 o   45.217   16.036   16.063   12.315   16.063   12.315   0.0000   0.0000   45.217   16.036  ?   ?       ?      ? 
1 1 1   13   21    0 o   57.269   9.2489   25.299   6.9611   28.137   9.0202   21.121   10.946   61.992   11.147   52.546   14.762 9.446495 18.49778 
1 1 1   13   21    1 o  101.110   6.5068   75.386   8.4409   91.511   11.211   54.285   12.825  114.923   7.1990   87.298   10.841 27.62498 13.01370 
1 1 1   13   21    2 o   85.593   6.9547   53.553   7.7340   60.994   10.129   43.150   11.977   93.571   7.9881   77.615   11.387 15.95676 13.90950 
1 1 1   13   21    3 o   94.764   6.2944   60.603   7.9210   47.925   10.176   80.099   12.618   82.593   9.0915  106.934   8.7077 -24.34112 12.58884 
1 1 1   13   21    4 o   52.161   9.0513   18.199   6.5579   9.6273   8.2340   33.067   10.844   37.644   13.132   66.678   12.460 -29.03387 18.10264 
1 1 1   13   21    5 o   79.035   7.0773   44.758   7.3210   46.404   9.3454   42.142   11.779   81.430   8.4690   76.639   11.341 4.790863 14.15452 
1 1 1   13   21    6 o   56.189   9.0972   23.657   6.5604   23.332   8.1661   24.248   11.017   56.241   11.109   56.136   14.409 0.1052628 18.19431 
1 1 1   13   21    7 o   34.913   9.3698   7.1261   6.0860   8.9244   7.5387   3.7607   10.313   36.220   12.570   33.607   13.899 2.612988 18.73962 
1 1 1   13   21    8 o   53.222   10.127   21.874   7.5897   26.593   10.651   17.006   10.818   59.051   13.592   47.393   15.017 11.65739 20.25448 
1 1 1   13   21    9 o   56.687   11.813   24.921   9.1528   24.368   10.885   26.255   16.909   56.195   14.268   57.179   18.830 -0.9844894 23.62515 
1 1 1   13   21   10 o   57.796   10.696   23.609   7.1849   21.886   8.0175   30.634   16.191   54.267   11.271   61.326   18.181 -7.058655 21.39151 
1 1 1   13   21   11 o   63.067   10.247   32.961   7.5181   35.244   8.4763   24.539   16.279   70.724   8.8441   55.409   18.486 15.31515 20.49313 
1 1 1   13   21   12 o   47.327   10.376   17.971   7.0188   20.065   7.8951   10.079   15.328   51.748   11.551   42.906   17.241 8.842247 20.75274 
1 1 1   13   21   13 o   54.104   11.507   22.168   8.6253   20.156   10.381   26.653   15.502   50.950   14.397   57.259   17.955 -6.308868 23.01417 
1 1 1   13   21   14 o   33.921   10.154   3.1744   7.8472   5.2194   9.5373  -1.1116   13.807   33.781   13.591   34.061   15.089 -0.2806664 20.30717 
1 1 1   13   21   15 o   87.177   10.291   61.572   10.972   71.290   13.952   45.819   17.763   99.656   10.331   74.699   17.801 24.95644 20.58134 
1 1 1   13   21   16 o   46.404   11.552   16.574   9.1947   20.412   10.785   6.3606   17.593   50.996   14.761   41.813   17.774 9.183033 23.10458 
1 1 1   13   21   17 o   67.460   13.471   34.972   11.883   34.972   11.883   0.0000   0.0000   67.460   13.471  ?   ?       ?      ? 
1 1 1   13   21   18 o   59.592   10.093   31.533   9.5672   46.087   11.888   4.7837   16.117   79.645   11.015   39.539   16.915 40.10571 20.18540 
1 1 1   13   21   19 o   58.378   10.471   21.233   7.3219   15.490   8.2745   41.954   15.718   44.895   12.910   71.862   16.490 -26.96703 20.94275 
1 1 1   13   21   20 o   48.824   10.324   19.408   6.9401   20.926   7.8734   14.119   14.695   52.635   11.371   45.012   17.234 7.622623 20.64710 
1 1 1   13   21   21 f   57.752   10.943   24.951   8.2505   24.951   8.2505   0.0000   0.0000   57.752   10.943  ?   ?       ?      ? 
1 1 1   13   21   22 o   41.583   12.576   13.194   7.6900   13.194   7.6900   0.0000   0.0000   41.583   12.576  ?   ?       ?      ? 
1 1 1   13   21   23 o   55.113   11.249   22.954   8.1172   22.954   8.1172   0.0000   0.0000   55.113   11.249  ?   ?       ?      ? 
1 1 1   13   21   24 o   57.505   10.844   24.809   8.1408   24.809   8.1408   0.0000   0.0000   57.505   10.844  ?   ?       ?      ? 
1 1 1   13   21   25 f   31.085   12.179   5.1974   7.4647   5.1974   7.4647   0.0000   0.0000   31.085   12.179  ?   ?       ?      ? 
1 1 1   13   21   26 o   43.332   12.461   14.551   7.7084   14.551   7.7084   0.0000   0.0000   43.332   12.461  ?   ?       ?      ? 
1 1 1   13   21   27 o   24.270   10.737  -1.1064   6.9681  -1.1064   6.9681   0.0000   0.0000   24.270   10.737  ?   ?       ?      ? 
1 1 1   13   21   28 o   28.929   11.803   3.4402   7.3091   3.4402   7.3091   0.0000   0.0000   28.929   11.803  ?   ?       ?      ? 
1 1 1   13   21   29 o   53.487   11.787   22.078   8.3136   22.078   8.3136   0.0000   0.0000   53.487   11.787  ?   ?       ?      ? 
1 1 1   13   21   30 o   58.556   11.089   26.054   8.4774   26.054   8.4774   0.0000   0.0000   58.556   11.089  ?   ?       ?      ? 
1 1 1   13   21   31 o   35.310   13.532   8.0009   9.0657   8.0009   9.0657   0.0000   0.0000   35.310   13.532  ?   ?       ?      ? 
1 1 1   13   22    0 o   61.086   13.549   28.985   10.922   0.0000   0.0000   28.985   10.922  ?   ?    61.086   13.549      ?      ? 
1 1 1   13   22    1 o   58.171   10.018   27.071   7.9391   20.783   11.599   32.614   10.890   51.024   15.448   65.318   12.760 -14.29342 20.03691 
1 1 1   13   22    2 o   86.912   7.6708   55.430   8.9254   49.939   13.193   60.065   12.120   82.349   11.822   91.475   9.7774 -9.125938 15.34151 
1 1 1   13   22    3 o   60.298   9.7754   28.511   7.8176   27.039   11.290   29.868   10.836   58.473   14.354   62.123   13.274 -3.649448 19.55079 
1 1 1   13   22    4 o   34.479   9.7922   5.8907   6.9897   6.2717   9.7586   5.4893   10.016   34.709   13.821   34.249   13.875 0.4594727 19.58444 
1 1 1   13   22    5 o   47.820   10.158   17.713   7.3593   23.768   10.524   11.918   10.295   54.857   14.085   40.782   14.641 14.07516 20.31588 
1 1 1   13   22    6 o   58.570   9.5560   27.074   7.9132   15.415   11.298   38.302   11.087   44.872   15.398   72.268   11.321 -27.39636 19.11199 
1 1 1   13   22    7 o   64.716   9.4024   32.321   7.9654   36.640   11.645   28.524   10.920   69.082   12.914   60.350   13.669 8.731968 18.80473 
1 1 1   13   22    8 o   34.600   10.331   3.4684   7.9577   1.7331   9.8479   6.7334   13.508   30.868   13.214   38.332   15.884 -7.463499 20.66236 
1 1 1   13   22    9 o   54.169   10.430   23.235   7.1549   23.259   8.1969   23.159   14.664   55.473   11.288   52.864   17.541 2.608627 20.85936 
1 1 1   13   22   10 o   68.531   9.8021   45.483   7.9275   54.497   9.1790   19.025   15.726   87.949   7.7017   49.114   18.028 38.83495 19.60412 
1 1 1   13   22   11 o   76.694   8.6214   41.868   8.9604   41.868   8.9604   0.0000   0.0000   76.694   8.6214  ?   ?       ?      ? 
1 1 1   13   22   12 o   51.296   11.461   20.069   7.7661   20.069   7.7661   0.0000   0.0000   51.296   11.461  ?   ?       ?      ? 
1 1 1   13   22   13 o   42.930   12.579   14.250   7.7891   14.250   7.7891   0.0000   0.0000   42.930   12.579  ?   ?       ?      ? 
1 1 1   13   22   14 o   66.900   9.4780   32.250   8.5927   32.250   8.5927   0.0000   0.0000   66.900   9.4780  ?   ?       ?      ? 
1 1 1   13   22   15 o   77.501   8.6843   42.895   9.1206   42.895   9.1206   0.0000   0.0000   77.501   8.6843  ?   ?       ?      ? 
1 1 1   13   22   16 o   46.103   12.540   16.600   8.0423   16.600   8.0423   0.0000   0.0000   46.103   12.540  ?   ?       ?      ? 
1 1 1   13   22   17 o   63.842   9.6107   29.495   8.3147   29.495   8.3147   0.0000   0.0000   63.842   9.6107  ?   ?       ?      ? 
1 1 1   13   22   18 o   55.502   10.926   23.338   7.9250   23.338   7.9250   0.0000   0.0000   55.502   10.926  ?   ?       ?      ? 
1 1 1   13   22   19 o   49.260   11.669   18.756   7.6699   18.756   7.6699   0.0000   0.0000   49.260   11.669  ?   ?       ?      ? 
1 1 1   13   22   20 o   43.991   12.318   15.130   7.6343   15.130   7.6343   0.0000   0.0000   43.991   12.318  ?   ?       ?      ? 
1 1 1   13   22   21 f   29.526   11.925   4.0272   7.3731   4.0272   7.3731   0.0000   0.0000   29.526   11.925  ?   ?       ?      ? 
1 1 1   13   22   22 o   19.782   9.4120  -7.5626   6.9084  -7.5626   6.9084   0.0000   0.0000   19.782   9.4120  ?   ?       ?      ? 
1 1 1   13   22   23 o   66.209   9.6276   31.940   8.6380   31.940   8.6380   0.0000   0.0000   66.209   9.6276  ?   ?       ?      ? 
1 1 1   13   22   24 o   28.588   11.692   3.4255   7.1946   3.4255   7.1946   0.0000   0.0000   28.588   11.692  ?   ?       ?      ? 
1 1 1   13   22   25 o   40.100   14.357   12.239   9.8927   12.239   9.8927   0.0000   0.0000   40.100   14.357  ?   ?       ?      ? 
1 1 1   13   23    0 o   39.887   10.708   9.3431   7.7673   4.9622   9.5816   17.740   13.265   32.908   13.480   46.866   16.641 -13.95748 21.41601 
1 1 1   13   23    1 o   49.000   10.744   20.306   8.2786   25.236   10.532   12.335   13.392   55.980   13.938   42.020   16.354 13.96034 21.48718 
1 1 1   13   23    2 f   58.835   10.904   26.643   8.8453   18.000   11.175   41.143   14.474   47.032   15.299   70.638   15.543 -23.60610 21.80881 
1 1 1   13   23    3 o   43.801   11.229   14.316   8.3449   12.257   10.480   17.884   13.794   40.613   14.746   46.989   16.939 -6.376930 22.45821 
1 1 1   13   23    4 o   54.145   11.308   23.365   8.6582   18.883   10.845   31.243   14.377   48.047   15.010   60.244   16.916 -12.19666 22.61512 
1 1 1   13   23    5 o   41.594   11.081   12.651   8.3732   13.277   10.517   11.566   13.838   41.672   14.815   41.517   16.482 0.1544380 22.16171 
1 1 1   13   23    6 o   62.410   17.057   33.696   14.837   0.0000   0.0000   33.696   14.837  ?   ?    62.410   17.057      ?      ? 
1 1 1   13   23    7 o   39.363   15.953   9.3409   13.246   0.0000   0.0000   9.3409   13.246  ?   ?    39.363   15.953      ?      ? 
1 1 1   13   23    8 o   47.305   15.387   18.416   11.304   18.416   11.304   0.0000   0.0000   47.305   15.387  ?   ?       ?      ? 
1 1 1   13   23    9 o   54.895   15.333   25.231   11.845   25.231   11.845   0.0000   0.0000   54.895   15.333  ?   ?       ?      ? 
1 1 1   13   23   10 o   40.820   12.686   13.040   7.7581   13.040   7.7581   0.0000   0.0000   40.820   12.686  ?   ?       ?      ? 
1 1 1   13   23   11 o   40.352   12.608   12.726   7.6516   12.726   7.6516   0.0000   0.0000   40.352   12.608  ?   ?       ?      ? 
1 1 1   13   23   12 o   38.787   12.376   11.642   7.3375   11.642   7.3375   0.0000   0.0000   38.787   12.376  ?   ?       ?      ? 
1 1 1   13   23   13 o   24.846   10.907  -0.3415   7.0620  -0.3415   7.0620   0.0000   0.0000   24.846   10.907  ?   ?       ?      ? 
1 1 1   13   23   14 o   31.517   12.138   6.0819   7.3168   6.0819   7.3168   0.0000   0.0000   31.517   12.138  ?   ?       ?      ? 
1 1 1   13   23   15 o   31.328   12.103   5.9668   7.2924   5.9668   7.2924   0.0000   0.0000   31.328   12.103  ?   ?       ?      ? 
1 1 1   13   23   16 o   37.773   12.670   10.993   7.6473   10.993   7.6473   0.0000   0.0000   37.773   12.670  ?   ?       ?      ? 
1 1 1   13   23   17 o   26.317   11.274   1.2747   7.1781   1.2747   7.1781   0.0000   0.0000   26.317   11.274  ?   ?       ?      ? 
1 1 1   13   23   18 o   40.834   12.651   13.312   7.7222   13.312   7.7222   0.0000   0.0000   40.834   12.651  ?   ?       ?      ? 
1 1 1   13   23   19 o   43.423   14.555   15.588   10.091   15.588   10.091   0.0000   0.0000   43.423   14.555  ?   ?       ?      ? 
1 1 1   13   24    0 o   35.149   10.456   6.0606   8.5090   8.1909   11.306   3.2780   12.922   36.301   14.729   33.997   14.844 2.304531 20.91144 
1 1 1   13   24    1 o   39.507   15.266   11.713   11.606   11.713   11.606   0.0000   0.0000   39.507   15.266  ?   ?       ?      ? 
1 1 1   13   24    2 o   22.737   10.966 -12.1220   10.108 -12.1220   10.108   0.0000   0.0000   22.737   10.966  ?   ?       ?      ? 
1 1 1   13   24    3 o   48.146   15.619   20.295   11.651   20.295   11.651   0.0000   0.0000   48.146   15.619  ?   ?       ?      ? 
1 1 1   13   24    4 o   39.105   15.004   11.595   11.154   11.595   11.154   0.0000   0.0000   39.105   15.004  ?   ?       ?      ? 
1 1 1   13   24    5 o   40.585   10.881   13.024   8.4782   16.597   10.900   7.5532   13.489   44.129   15.126   37.040   15.645 7.089710 21.76152 
1 1 1   13   24    6 o   26.172   8.6993  -7.6838   7.5371 -10.8998   9.5191  -2.2793   12.340   22.306   10.729   30.037   13.697 -7.730213 17.39866 
1 1 1   13   24    7 o   42.120   15.335   14.809   11.346   14.809   11.346   0.0000   0.0000   42.120   15.335  ?   ?       ?      ? 
1 1 1   13   24    8 o   24.229   10.858  -1.3048   7.3660  -1.3048   7.3660   0.0000   0.0000   24.229   10.858  ?   ?       ?      ? 
1 1 1   13   24    9 o   51.756   12.028   21.677   8.2751   21.677   8.2751   0.0000   0.0000   51.756   12.028  ?   ?       ?      ? 
1 1 1   13   24   10 o   49.587   12.238   20.094   8.1737   20.094   8.1737   0.0000   0.0000   49.587   12.238  ?   ?       ?      ? 
1 1 1   13   24   11 o   23.547   10.674  -2.1100   7.3547  -2.1100   7.3547   0.0000   0.0000   23.547   10.674  ?   ?       ?      ? 
1 1 1   13   24   12 o   46.363   12.674   17.907   8.1909   17.907   8.1909   0.0000   0.0000   46.363   12.674  ?   ?       ?      ? 
1 1 1   13   25    0 o   35.310   10.339   7.0345   8.4637  -0.8502   11.459   16.501   12.555   28.810   13.161   41.809   15.948 -12.99870 20.67775 
1 1 1   13   25    1 o   25.437   8.5409  -7.4798   7.9922  -5.3380   11.024  -9.8526   11.604   26.062   12.245   24.811   11.911 1.250978 17.08188 
1 1 1   13   25    2 o   50.907   10.659   23.425   9.1258   8.2559   12.414   41.261   13.461   35.090   14.924   66.724   15.224 -31.63427 21.31872 
1 1 1   13   25    3 o   31.024   9.7136   2.2120   8.1912  -2.8007   11.215   7.9437   11.992   27.444   12.711   34.605   14.692 -7.160582 19.42716 
1 1 1   13   25    4 o   45.140   11.206   19.813   8.9993   27.629   12.634   11.764   12.821   52.632   16.161   37.647   15.527 14.98473 22.41160 
1 1 1   13   25    5 o   31.079   13.534   4.2852   10.679   4.2852   10.679   0.0000   0.0000   31.079   13.534  ?   ?       ?      ? 
1 1 1   14    0    0 o  123.407   5.6417  103.857   9.3898  103.857   9.3898   0.0000   0.0000  123.407   5.6417  123.407   5.6417 -0.000000 0.000000 
1 1 1   14    0    1 o  553.161   9.6260  2076.45   72.108  2076.45   72.108   0.0000   0.0000  553.161   9.6260  553.161   9.6260 -0.000000 0.000000 
1 1 1   14    0    2 o  336.658   6.9413  769.168   31.637  769.168   31.637   0.0000   0.0000  336.658   6.9413  336.658   6.9413 -0.000000 0.000000 
1 1 1   14    0    3 o  126.710   5.5153  109.425   9.4295  109.425   9.4295   0.0000   0.0000  126.710   5.5153  126.710   5.5153 -0.000000 0.000000 
1 1 1   14    0    4 o  260.276   6.2134  460.783   21.855  471.798   31.012  449.915   30.805  263.385   8.7102  257.166   8.8632 -0.000000 0.000000 
1 1 1   14    0    5 o  407.733   7.7754  1129.18   42.881  1161.71   61.342  1098.10   59.966  413.488   10.965  401.977   11.027 -0.000000 0.000000 
1 1 1   14    0    6 o  296.386   6.5445  595.810   26.196  561.474   36.079  634.094   38.096  287.347   9.2873  305.426   9.2234 -0.000000 0.000000 
1 1 1   14    0    7 o  274.087   6.3163  510.890   23.402  517.606   33.051  504.137   33.140  275.908   8.8603  272.267   9.0044 -0.000000 0.000000 
1 1 1   14    0    8 o  519.935   9.2023  1830.92   64.641  1730.87   88.444  1945.64   94.710  504.714   12.951  535.156   13.077 -0.000000 0.000000 
1 1 1   14    0    9 o  474.605   8.5981  1529.84   55.208  1566.80   78.814  1494.23   77.358  480.246   12.128  468.964   12.191 -0.000000 0.000000 
1 1 1   14    0   10 o  777.546   12.758  4109.08  134.261  4129.89  190.256  4088.43  189.494  779.512   18.033  775.581   18.052 -0.000000 0.000000 
1 1 1   14    0   11 o  551.332   9.6043  2064.27   71.645  2111.85  102.437  2018.70  100.242  557.562   13.576  545.102   13.589 -0.000000 0.000000 
1 1 1   14    0   12 o  1515.65   23.761 15639.71  487.061 15087.38  671.781 16251.83  707.202  1487.51   33.364  1543.79   33.841 -0.000000 0.000000 
1 1 1   14    0   13 f  334.516   9.7168  760.426   43.964  760.426   43.964   0.0000   0.0000  334.516   9.7168  334.516   9.7168 -0.000000 0.000000 
1 1 1   14    0   14 o  203.111   7.9384  280.876   21.774  280.876   21.774   0.0000   0.0000  203.111   7.9384  203.111   7.9384 -0.000000 0.000000 
1 1 1   14    0   15 o  980.524   22.190  6537.75  294.510  6537.75  294.510   0.0000   0.0000  980.524   22.190  980.524   22.190 -0.000000 0.000000 
1 1 1   14    0   16 o  272.184   6.2957  503.784   23.153  504.940   32.242  502.553   33.268  272.524   8.7509  271.844   9.0535 -0.000000 0.000000 
1 1 1   14    0   17 o  538.303   9.4275  1968.27   68.670  1954.49   96.344  1982.51   97.901  536.390   13.273  540.216   13.392 -0.000000 0.000000 
1 1 1   14    0   18 o  460.909   8.4229  1441.70   52.499  1400.37   72.748  1486.61   75.839  454.017   11.842  467.802   11.981 -0.000000 0.000000 
1 1 1   14    0   19 o  591.678   10.156  2374.87   81.253  2291.80  112.167  2466.60  117.863  580.797   14.271  602.558   14.453 -0.000000 0.000000 
1 1 1   14    0   20 f  223.001   5.8706  338.497   17.676  339.822   24.631  337.090   25.381  223.470   8.1581  222.532   8.4441 -0.000000 0.000000 
1 1 1   14    0   21 o  589.232   10.121  2357.25   80.671  2301.54  112.120  2417.05  116.160  582.015   14.235  596.449   14.390 -0.000000 0.000000 
1 1 1   14    0   22 o  446.241   8.2417  1350.57   49.715  1298.07   68.524  1408.92   72.238  437.088   11.587  455.393   11.723 -0.000000 0.000000 
1 1 1   14    0   23 o  533.932   9.3854  1932.63   67.730  1847.87   93.020  2028.27   98.811  521.487   13.182  546.377   13.363 -0.000000 0.000000 
1 1 1   14    0   24 o  203.362   5.7991  280.463   15.887  260.306   21.664  303.915   23.368  195.451   8.2124  211.273   8.1899 -0.000000 0.000000 
1 1 1   14    0   25 f  1476.68   23.199 14882.94  463.551 14559.52  645.324 15227.72  666.301  1460.14   32.651  1493.21   32.964 -0.000000 0.000000 
1 1 1   14    0   26 o  497.042   8.9094  1678.77   59.920  1701.07   85.034  1656.78   84.449  500.330   12.559  493.753   12.640 -0.000000 0.000000 
1 1 1   14    0   27 o  534.536   9.4090  1941.71   68.055  1926.10   95.545  1957.79   96.959  532.357   13.263  536.715   13.350 -0.000000 0.000000 
1 1 1   14    0   28 o  388.355   7.5808  1025.06   39.825  1024.39   56.009  1025.74   56.637  388.233   10.664  388.477   10.777 -0.000000 0.000000 
1 1 1   14    0   29 o  581.386   10.041  2297.81   78.998  2305.35  111.654  2290.25  111.787  582.347   14.167  580.425   14.232 -0.000000 0.000000 
1 1 1   14    0   30 o  666.386   15.892  3020.14  143.331   0.0000   0.0000  3020.14  143.331  666.386   15.892  666.386   15.892 -0.000000 0.000000 
1 1 1   14    0   31 o  644.265   15.473  2823.18  134.912   0.0000   0.0000  2823.18  134.912  644.265   15.473  644.265   15.473 -0.000000 0.000000 
1 1 1   14    0   32 o  728.022   12.105  3599.94  119.141  3452.18  163.875  3765.61  173.521  712.204   17.001  743.841   17.235 -0.000000 0.000000 
1 1 1   14    0   33 o  514.921   9.1879  1799.65   63.958  1898.44   92.789  1710.23   88.280  528.385   12.976  501.456   13.011 -0.000000 0.000000 
1 1 1   14    0   34 o   93.157   6.5576   60.241   8.0653   55.513   10.933   65.887   11.947   89.048   9.2914   97.265   9.2563 -0.000000 0.000000 
1 1 1   14    0   35 o  502.294   9.0248  1713.26   61.284  1644.57   84.499  1789.48   89.013  491.680   12.701  512.907   12.825 -0.000000 0.000000 
1 1 1   14    0   36 o  199.169   5.9690  270.660   16.023  287.255   22.713  254.220   22.607  205.319   8.1930  193.018   8.6829 -0.000000 0.000000 
1 1 1   14    0   37 o  236.510   8.6937  380.964   27.778  380.964   27.778   0.0000   0.0000  236.510   8.6937  236.510   8.6937 -0.000000 0.000000 
1 1 1   14    0   38 o  344.561   7.1868  807.274   33.476  789.484   46.502  826.411   48.230  340.623   10.094  348.499   10.233 -0.000000 0.000000 
1 1 1   14    0   39 o  136.733   5.9197  128.240   10.871  127.961   15.192  128.532   15.564  136.598   8.2764  136.867   8.4659 -0.000000 0.000000 
1 1 1   14    0   40 o  192.446   5.9115  252.622   15.348  249.098   21.492  256.289   21.926  191.073   8.3365  193.820   8.3835 -0.000000 0.000000 
1 1 1   14    0   41 o  261.471   6.4017  465.007   22.589  501.105   32.556  431.495   31.368  271.305   8.8765  251.638   9.2270 -0.000000 0.000000 
1 1 1   14    0   42 o  310.652   6.8403  656.914   28.729  647.724   40.228  666.477   41.041  308.433   9.6460  312.871   9.7011 -0.000000 0.000000 
1 1 1   14    0   43 o  712.296   11.962  3462.66  115.263  3571.94  165.925  3360.74  160.238  723.154   16.953  701.438   16.880 -0.000000 0.000000 
1 1 1   14    0   44 o  172.355   6.0009  202.919   13.931  194.030   19.421  212.340   19.994  168.429   8.5592  176.281   8.4132 -0.000000 0.000000 
1 1 1   14    0   45 o  390.329   7.7310  1034.08   40.746  965.783   55.728  1112.52   59.726  376.498   10.944  404.160   10.923 -0.000000 0.000000 
1 1 1   14    0   46 o  273.941   6.5286  511.207   24.170  501.875   33.838  520.928   34.536  271.382   9.2253  276.500   9.2405 -0.000000 0.000000 
1 1 1   14    0   47 o   58.602   9.9550   28.071   6.8462   39.413   9.8402   17.430   9.5313   74.075   10.389   43.129   16.985 -0.000000 0.000000 
1 1 1   14    0   48 o  161.543   8.5253  178.671   18.544   0.0000   0.0000  178.671   18.544  161.543   8.5253  161.543   8.5253 -0.000000 0.000000 
1 1 1   14    0   49 o   37.867   16.682   14.059   8.9785   0.0000   0.0000   14.059   8.9785   37.867   16.682   37.867   16.682 -0.000000 0.000000 
1 1 1   14    0   50 o  420.232   8.1230  1204.09   46.173  1183.18   64.624  1225.89   65.994  416.502   11.469  423.961   11.506 -0.000000 0.000000 
1 1 1   14    0   52 o   85.126   7.7125   51.696   8.4804   49.305   12.006   54.077   11.980   82.925   11.272   87.326   10.529 -0.000000 0.000000 
1 1 1   14    0   53 o  184.377   6.1976  232.257   15.370  254.347   22.157  211.767   21.339  192.923   8.5127  175.831   9.0096 -0.000000 0.000000 
1 1 1   14    0   54 o  154.004   8.8901  162.800   18.412  162.800   18.412   0.0000   0.0000  154.004   8.8901  154.004   8.8901 -0.000000 0.000000 
1 1 1   14    0   55 o  113.890   9.7589   90.145   14.807   90.145   14.807   0.0000   0.0000  113.890   9.7589  113.890   9.7589 -0.000000 0.000000 
1 1 1   14    0   56 o  204.251   6.3503  284.246   17.420  323.817   25.423  249.223   23.917  217.747   8.6466  190.755   9.3028 -0.000000 0.000000 
1 1 1   14    0   57 o  198.585   6.3246  269.115   16.910  248.022   23.321  292.503   24.556  190.319   9.0896  206.850   8.7966 -0.000000 0.000000 
1 1 1   14    0   58 o  137.319   6.4814  129.980   11.936  130.053   16.757  129.904   17.006  137.378   9.0928  137.260   9.2389 -0.000000 0.000000 
1 1 1   14    0   59 o   81.094   8.9962   48.355   8.8804   38.998   12.403   58.198   12.721   71.628   14.415   90.560   10.767 -0.000000 0.000000 
1 1 1   14    0   60 o   31.093   12.022   9.2878   7.2757   7.8629   10.397   10.655   10.185   29.501   16.754   32.686   17.245 -0.000000 0.000000 
1 1 1   14    0   61 o  433.490   8.4417  1287.20   49.502  1270.53   69.558  1304.31   70.462  430.640   11.940  436.340   11.937 -0.000000 0.000000 
1 1 1   14    0   62 o   84.669   8.6006   51.890   9.2544   55.310   13.282   48.664   12.901   87.700   11.772   81.637   12.542 -0.000000 0.000000 
1 1 1   14    0   63 o   45.529   12.133   18.785   8.0205   29.522   11.781   9.5091   10.950   59.558   16.853   31.499   17.459 -0.000000 0.000000 
1 1 1   14    0   64 o  208.700   9.5259  299.205   26.813   0.0000   0.0000  299.205   26.813  208.700   9.5259  208.700   9.5259 -0.000000 0.000000 
1 1 1   14    0   66 f   85.829   9.1919   54.369   9.6858   64.297   13.781   44.678   13.616   94.956   11.107   76.702   14.649 -0.000000 0.000000 
1 1 1   14    0   67 o  122.452   7.3174  105.728   11.611  133.134   16.732   80.271   16.126  138.667   8.9909  106.237   11.547 -0.000000 0.000000 
1 1 1   14    0   68 o   47.896   12.601   21.516   7.8935   26.759   11.298   16.516   11.033   55.618   17.135   40.174   18.480 -0.000000 0.000000 
1 1 1   14    0   69 o   50.516   12.861   23.610   8.0662   23.137   11.389   24.086   11.426   49.802   18.270   51.231   18.105 -0.000000 0.000000 
1 1 1   14    0   70 o   83.897   12.340   51.734   13.140   51.734   13.140   0.0000   0.0000   83.897   12.340   83.897   12.340 -0.000000 0.000000 
1 1 1   14    0   71 o   62.204   11.592   33.589   8.7062   45.776   12.292   21.319   12.333   78.449   12.517   45.959   19.515 -0.000000 0.000000 
1 1 1   14    0   72 o   60.668   11.463   32.801   8.7139   47.898   12.329   17.731   12.318   80.473   12.117   40.863   19.463 -0.000000 0.000000 
1 1 1   14    0   73 o  105.171   7.6644   79.167   10.655   78.084   14.892   80.303   15.253  104.440   10.785  105.901   10.893 -0.000000 0.000000 
1 1 1   14    0   74 o   49.277   13.011   23.348   8.1164   24.709   11.486   21.990   11.470   51.360   18.154   47.195   18.644 -0.000000 0.000000 
1 1 1   14    0   75 o   96.216   8.8066   68.150   10.294   48.715   14.015   90.918   15.169   79.412   14.437  113.019   10.089 -0.000000 0.000000 
1 1 1   14    0   76 o   47.682   12.267   21.467   8.0022   13.200   10.799   31.534   11.917   34.725   17.909   60.639   16.768 -0.000000 0.000000 
1 1 1   14    0   77 o   19.086   9.1322  -3.9647   6.9209  -5.5694   9.3770  -2.0445   10.257   17.654   12.120   20.518   13.664 -0.000000 0.000000 
1 1 1   14    0   78 o   48.378   12.176   22.627   8.1453   13.423   11.306   32.559   11.745   34.723   18.210   62.032   16.169 -0.000000 0.000000 
1 1 1   14    0   79 o   84.140   13.477   54.183   14.185   0.0000   0.0000   54.183   14.185   84.140   13.477   84.140   13.477 -0.000000 0.000000 
1 1 1   14    0   80 o   33.490   12.695   11.854   8.0338   16.935   12.179   7.9407   10.689   38.620   19.208   28.360   16.605 -0.000000 0.000000 
1 1 1   14    0   81 o   43.069   9.6204   10.195   8.1757   39.254   12.502 -11.5146   10.807   69.398   15.182   16.740   11.820 -0.000000 0.000000 
1 1 1   14    0   82 o  122.402   7.8325  108.768   12.476  134.605   18.254   86.121   17.091  137.104   9.9453  107.700   12.103 -0.000000 0.000000 
1 1 1   14    0   83 o   52.075   19.133   27.182   12.481   27.182   12.481   0.0000   0.0000   52.075   19.133   52.075   19.133 -0.000000 0.000000 
1 1 1   14    0   84 o   20.550   13.796  -2.2892   10.838  -2.2892   10.838   0.0000   0.0000   20.550   13.796   20.550   13.796 -0.000000 0.000000 
1 1 1   14    0   85 o   44.957   14.177   23.069   9.1581   21.744   12.565   24.570   13.376   43.461   19.734   46.453   20.360 -0.000000 0.000000 
1 1 1   14    0   86 o   26.516   11.590   5.5414   8.5062   10.363   11.816   0.3546   12.255   30.079   17.526   22.954   15.170 -0.000000 0.000000 
1 1 1   14    0   87 o   30.092   12.475   10.501   8.6393   12.917   12.166   8.0443   12.270   32.288   18.209   27.896   17.055 -0.000000 0.000000 
1 1 1   14    0   88 o   31.278   12.715   11.835   8.8857   7.2695   12.572   16.392   12.561   27.101   16.883   35.456   19.017 -0.000000 0.000000 
1 1 1   14    0   89 o   31.721   12.667   11.779   9.1217   20.198   12.916   3.4026   12.884   39.057   19.708   24.384   15.920 -0.000000 0.000000 
1 1 1   14    1    0 o  325.364   6.8383  716.398   30.112  755.718   43.955  681.625   41.335  333.754   9.7184  316.974   9.6230 16.77921 13.67659 
1 1 1   14    1    1 o  299.771   6.5684  609.583   26.671  585.377   37.538  634.258   37.900  293.756   9.4298  305.786   9.1462 -12.02960 13.13676 
1 1 1   14    1    2 o  425.333   7.9992  1222.14   45.996  1123.24   62.748  1336.99   67.622  406.817   11.382  443.849   11.243 -37.03223 15.99836 
1 1 1   14    1    3 o  973.245   15.634  6448.28  206.044  6679.07  298.436  6238.07  284.820  989.827   22.249  956.663   21.970 33.16345 31.26807 
1 1 1   14    1    4 o  767.268   12.607  4002.00  131.049  4088.29  188.050  3920.52  182.727  775.294   17.899  759.243   17.760 16.05139 25.21468 
1 1 1   14    1    5 o  705.535   11.728  3377.62  112.033  3240.10  154.623  3529.59  162.550  690.451   16.526  720.619   16.646 -30.16827 23.45573 
1 1 1   14    1    6 o  532.677   9.3351  1924.37   67.385  1924.37   67.385   0.0000   0.0000  532.677   9.3351  ?   ?       ?      ? 
1 1 1   14    1    7 o  738.286   12.166  3698.78  121.723  3698.78  121.723   0.0000   0.0000  738.286   12.166  ?   ?       ?      ? 
1 1 1   14    1    8 o  628.473   9.2352  2667.48   73.812  2642.76   89.798  2718.96  129.603  624.184   10.616  632.761   15.114 -8.576965 18.47030 
1 1 1   14    1    9 o  186.404   4.9685  236.132   11.718  237.205   14.237  233.879   20.633  187.077   5.6158  185.730   8.1979 1.347260 9.936907 
1 1 1   14    1   10 o  510.225   7.8543  1760.08   51.000  1749.12   62.131  1782.72   89.294  507.894   9.0271  512.556   12.856 -4.662140 15.70864 
1 1 1   14    1   11 o  1792.12   19.752 21906.85  479.651 21632.67  672.414 22190.89  684.404  1780.74   27.865  1803.51   28.003 -22.76794 39.50484 
1 1 1   14    1   12 o  971.269   10.995  6393.13  144.570  6136.91  199.038  6679.27  210.337  950.722   15.449  991.816   15.650 -41.09479 21.99043 
1 1 1   14    1   13 o  749.982   8.7215  3815.58   88.633  3774.98  124.476  3857.35  126.235  745.936   12.314  754.028   12.354 -8.091553 17.44301 
1 1 1   14    1   14 o  444.699   5.8022  1339.03   34.944  1289.00   48.419  1393.40   50.482  436.042   8.1942  453.355   8.2170 -17.31360 11.60450 
1 1 1   14    1   15 o  1318.06   14.660 11787.76  261.531 11298.63  359.089 12340.32  381.664  1289.05   20.557  1347.08   20.908 -58.03064 29.32064 
1 1 1   14    1   16 o  847.056   9.7050  4867.59  111.381  4781.98  155.688  4957.35  159.410  839.432   13.686  854.679   13.764 -15.24695 19.41006 
1 1 1   14    1   17 o  240.637   4.2301  392.466   13.794  391.522   19.447  393.422   19.569  240.346   5.9707  240.928   5.9937 -0.5820313 8.460191 
1 1 1   14    1   18 o  1060.93   11.923  7644.82  171.408  7587.57  241.153  7703.29  243.683  1056.92   16.837  1064.94   16.886 -8.021484 23.84563 
1 1 1   14    1   19 o  857.203   12.028  4988.78  131.701  5000.03  228.271  4983.17  161.245  857.558   19.643  856.846   13.887 0.7120972 24.05581 
1 1 1   14    1   20 o  430.905   6.9975  1280.43   38.854  1188.47   64.804  1332.05   48.548  418.557   11.425  443.254   8.0823 -24.69644 13.99496 
1 1 1   14    1   21 o  712.505   8.3507  3443.41   80.617  3503.99  115.239  3385.34  112.818  718.639   11.833  706.370   11.786 12.26862 16.70135 
1 1 1   14    1   22 o  742.292   8.6480  3736.78   86.963  3646.22  121.124  3833.12  124.931  733.019   12.194  751.565   12.267 -18.54517 17.29603 
1 1 1   14    1   23 o  462.638   5.9617  1450.73   37.368  1419.44   52.215  1483.58   53.501  457.527   8.4217  467.749   8.4404 -10.22153 11.92331 
1 1 1   14    1   24 o  260.598   4.3730  460.349   15.443  462.955   21.849  457.749   21.830  261.335   6.1696  259.861   6.1992 1.474030 8.746079 
1 1 1   14    1   25 o  624.144   7.4847  2643.08   63.305  2651.65   89.670  2634.56   89.385  625.153   10.585  623.135   10.585 2.017944 14.96938 
1 1 1   14    1   26 o  834.080   11.743  4681.25  124.127  4869.55  220.444  4593.83  150.202  845.726   19.235  822.434   13.477 23.29260 23.48622 
1 1 1   14    1   27 o  755.921   10.796  3888.96  104.372  3869.12  180.126  3898.99  128.061  754.069   17.627  757.773   12.471 -3.704346 21.59258 
1 1 1   14    1   28 o  571.427   6.9966  2207.11   54.073  2074.42   73.758  2361.29   79.507  552.934   9.8435  589.921   9.9456 -36.98651 13.99318 
1 1 1   14    1   29 o  284.338   4.5638  547.256   17.570  519.566   24.318  577.498   25.414  276.825   6.4825  291.852   6.4259 -15.02701 9.127690 
1 1 1   14    1   30 o  728.276   8.5284  3601.27   84.154  3543.00  117.752  3662.10  120.315  722.261   12.031  734.292   12.091 -12.03131 17.05675 
1 1 1   14    1   31 o  207.978   4.1463  293.177   11.684  286.927   16.374  299.663   16.678  205.720   5.8734  210.236   5.8540 -4.516632 8.292549 
1 1 1   14    1   32 o  257.837   4.4134  450.763   15.420  448.619   21.677  452.958   21.940  257.217   6.2188  258.457   6.2642 -1.239624 8.826894 
1 1 1   14    1   33 o  407.902   6.8056  1096.21   34.709  1046.70   41.280  1215.67   64.121  392.788   7.7553  423.016   11.186 -30.22852 13.61112 
1 1 1   14    1   34 o  511.345   9.1040  1775.06   63.085  1775.06   63.085   0.0000   0.0000  511.345   9.1040  ?   ?       ?      ? 
1 1 1   14    1   35 o  753.524   8.8064  3861.56   89.916  3811.38  126.065  3913.51  128.283  748.549   12.428  758.499   12.481 -9.950623 17.61284 
1 1 1   14    1   36 o  287.210   4.6308  559.351   18.019  577.020   25.756  542.413   25.218  291.652   6.5167  282.768   6.5810 8.884460 9.261584 
1 1 1   14    1   37 o  615.443   7.4431  2573.57   62.059  2638.81   88.993  2511.80   86.587  623.030   10.541  607.857   10.512 15.17316 14.88613 
1 1 1   14    1   38 o  365.640   5.2046  907.352   25.787  899.083   36.226  915.847   36.715  363.953   7.3450  367.328   7.3757 -3.374817 10.40916 
1 1 1   14    1   39 o  420.374   6.9587  1218.03   37.682  1146.24   63.124  1257.78   46.968  410.382   11.351  430.365   8.0535 -19.98257 13.91750 
1 1 1   14    1   40 o  242.226   5.2849  378.666   16.224  453.902   29.650  346.514   19.383  258.478   8.4650  225.975   6.3296 32.50359 10.56973 
1 1 1   14    1   41 o  393.310   5.4591  1050.45   29.094  1034.44   40.825  1066.97   41.472  390.265   7.7194  396.355   7.7214 -6.089752 10.91828 
1 1 1   14    1   42 o  399.279   5.5124  1082.88   29.825  1070.81   41.923  1095.24   42.438  397.027   7.7920  401.530   7.7993 -4.503754 11.02474 
1 1 1   14    1   43 o  111.815   4.3524   84.866   6.5943   86.110   9.3132   83.616   9.3382  112.638   6.1014  110.991   6.2086 1.646461 8.704829 
1 1 1   14    1   44 o  221.236   6.1303  332.237   18.379   0.0000   0.0000  332.237   18.379  ?   ?   221.236   6.1303      ?      ? 
1 1 1   14    1   45 o  270.339   4.5846  496.251   16.795  499.809   23.765  492.700   23.739  271.309   6.4638  269.369   6.5033 1.940063 9.169190 
1 1 1   14    1   46 o  267.420   5.5503  480.337   18.961  503.506   33.212  469.134   23.094  272.006   9.0102  262.834   6.4839 9.172241 11.10068 
1 1 1   14    1   47 o  178.807   5.1970  220.508   11.892  207.287   20.188  227.533   14.716  174.546   8.5351  183.067   5.9320 -8.521164 10.39404 
1 1 1   14    1   48 o  197.003   4.2772  263.567   11.417  267.466   16.130  259.652   16.163  198.467   5.9975  195.540   6.0998 2.927826 8.554326 
1 1 1   14    1   49 o  104.508   4.6067   74.184   6.5232   72.566   9.1475   75.858   9.3050  103.349   6.5315  105.668   6.4982 -2.319405 9.213391 
1 1 1   14    1   50 o  325.293   4.9942  719.154   22.012  706.839   30.817  731.983   31.452  322.452   7.0525  328.134   7.0733 -5.682037 9.988431 
1 1 1   14    1   51 o  236.462   5.5770  384.239   16.746  391.508   20.495  369.639   29.046  240.045   6.3005  232.879   9.2041 7.165848 11.15401 
1 1 1   14    1   52 o  285.425   5.7515  531.329   20.665  495.234   24.612  617.584   38.047  269.903   6.7292  300.946   9.3293 -31.04300 11.50293 
1 1 1   14    1   53 o  240.100   6.3325  391.807   20.604  391.807   20.604   0.0000   0.0000  240.100   6.3325  ?   ?       ?      ? 
1 1 1   14    1   54 o  145.008   4.4525  142.994   8.7430  149.290   12.366  136.701   12.363  148.211   6.1571  141.804   6.4334 6.406494 8.904972 
1 1 1   14    1   55 o  193.213   6.2203  253.764   16.287  253.764   16.287   0.0000   0.0000  193.213   6.2203  ?   ?       ?      ? 
1 1 1   14    1   56 o  160.695   5.4476  175.599   11.149  176.700   19.450  175.060   13.607  160.928   8.9189  160.462   6.2575 0.4662323 10.89511 
1 1 1   14    1   57 o  300.785   5.9893  612.904   22.996  629.489   40.134  604.797   28.059  303.470   9.7592  298.101   6.9459 5.368896 11.97861 
1 1 1   14    1   58 o  277.821   4.7667  525.277   17.945  519.640   25.260  531.020   25.498  276.315   6.7461  279.327   6.7361 -3.011139 9.533359 
1 1 1   14    1   59 o  134.597   4.6229  123.305   8.4189  132.618   12.018  114.330   11.797  139.605   6.3526  129.590   6.7178 10.01485 9.245810 
1 1 1   14    1   60 o  214.422   5.5986  312.037   15.319  308.675   18.698  318.901   26.719  212.928   6.4801  215.917   9.1315 -2.989349 11.19715 
1 1 1   14    1   61 o  216.472   6.5900  320.217   19.284  353.373   27.952  290.102   26.639  227.199   9.0787  205.744   9.5545 21.45544 13.17992 
1 1 1   14    1   62 o  259.501   4.7926  458.973   16.834  429.125   23.532  490.257   24.091  250.829   6.9230  268.174   6.6292 -17.34492 9.585123 
1 1 1   14    1   63 o  130.596   5.9658  121.300   9.8312  103.605   16.648  130.775   12.182  122.712   10.011  138.479   6.4919 -15.76609 11.93169 
1 1 1   14    1   64 o  181.967   4.5523  225.841   11.222  218.459   15.696  233.562   16.051  178.919   6.4736  185.015   6.4021 -6.095901 9.104650 
1 1 1   14    1   65 o  149.913   4.6392  153.503   9.4202  147.140   13.231  160.045   13.415  146.746   6.6534  153.081   6.4668 -6.335342 9.278382 
1 1 1   14    1   66 f  310.701   7.1889  661.273   30.268  661.273   30.268   0.0000   0.0000  310.701   7.1889  ?   ?       ?      ? 
1 1 1   14    1   67 o   76.582   9.5141   43.692   9.3234   56.160   12.849   29.828   13.549   89.862   10.551   63.302   15.835 26.55931 19.02829 
1 1 1   14    1   68 o   26.337   8.0573  -1.9579   5.6835   3.4833   7.0371 -12.1657   9.6387   29.559   11.747   23.114   11.031 6.444586 16.11452 
1 1 1   14    1   69 o   72.536   6.1487   36.408   6.0346   33.681   8.3952   39.323   8.6803   69.693   8.8891   75.379   8.4976 -5.686142 12.29743 
1 1 1   14    1   70 o  130.462   4.8082  117.080   8.4968  121.746   12.083  112.516   11.951  133.061   6.7010  127.862   6.8972 5.199318 9.616328 
1 1 1   14    1   71 o   77.954   6.1022   42.571   6.3810   35.848   9.0355   49.260   9.0128   71.603   9.3118   84.305   7.8890 -12.70133 12.20437 
1 1 1   14    1   72 o   72.781   8.3456   40.432   7.3568   32.627   12.464   44.605   9.1137   65.573   14.419   79.988   8.4079 -14.41497 16.69124 
1 1 1   14    1   73 o   71.741   6.3420   36.316   6.1324   39.510   8.5396   32.916   8.8117   75.173   8.3829   68.309   9.5191 6.863991 12.68408 
1 1 1   14    1   74 o  119.577   5.0291   99.132   8.0996   85.029   11.178  114.724   11.753  110.490   7.4653  128.665   6.7407 -18.17480 10.05822 
1 1 1   14    1   75 o  129.838   4.9417  117.285   8.6917  113.145   12.225  121.516   12.360  127.478   7.0769  132.198   6.8992 -4.719551 9.883398 
1 1 1   14    1   76 o   39.635   8.8581   11.665   5.3846   13.756   7.5542   9.5060   7.6773   42.554   12.364   36.717   12.688 5.836689 17.71612 
1 1 1   14    1   77 o   31.805   8.6034  -0.3170   5.7133   14.594   9.8246  -7.9363   7.0230   43.657   14.352   19.952   9.4921 23.70533 17.20680 
1 1 1   14    1   78 f  108.086   6.3818   82.354   8.8740   87.473   15.300   79.759   10.893  109.728   10.290  106.445   7.5518 3.283028 12.76354 
1 1 1   14    1   79 o   31.570   8.6725   5.5917   5.3313   4.6083   7.5145   6.5883   7.5648   30.438   12.126   32.702   12.402 -2.263201 17.34508 
1 1 1   14    1   80 o   75.038   6.5244   40.733   6.5938   45.797   9.3512   35.726   9.2991   79.977   8.6282   70.099   9.7891 9.877563 13.04886 
1 1 1   14    1   81 o  106.223   7.0116   83.725   9.3062   86.128   11.321   78.717   16.344  110.229   7.5787  102.217   11.799 8.011841 14.02320 
1 1 1   14    1   82 o   31.428   9.2436   4.0407   6.5057   6.4266   8.0204  -0.5487   11.124   32.591   12.664   30.266   13.469 2.325602 18.48726 
1 1 1   14    1   83 o   75.075   6.9925   41.670   6.9942   51.250   10.110   32.877   9.6858   83.964   8.8858   66.186   10.799 17.77844 13.98498 
1 1 1   14    1   84 o   92.097   6.2333   61.994   7.7637   66.423   11.004   57.604   10.955   95.615   8.4925   88.580   9.1266 7.034630 12.46669 
1 1 1   14    1   85 o   38.979   10.438   11.307   7.2828   14.818   12.359   9.4396   9.0139   42.133   15.883   35.825   13.550 6.308357 20.87699 
1 1 1   14    1   86 o   41.081   9.7683   14.169   6.5681   10.501   9.2628   17.879   9.3149   36.702   13.767   45.459   13.862 -8.756172 19.53657 
1 1 1   14    1   87 o   69.529   8.2300   39.322   7.2937   26.707   10.148   52.800   10.490   55.424   13.611   83.634   9.2554 -28.21033 16.45992 
1 1 1   14    1   88 o   64.441   8.5851   34.769   7.2647   27.499   10.223   42.186   10.326   55.618   13.662   73.265   10.400 -17.64645 17.17024 
1 1 1   14    1   89 o   65.654   10.288   40.559   8.6771   37.883   14.945   41.919   10.658   59.421   17.427   71.886   10.940 -12.46555 20.57643 
1 1 1   14    2    0 o  1126.30   12.650  8613.75  192.868  8282.33  265.415  8984.55  280.745  1103.43   17.750  1149.18   18.028 -45.75427 25.29943 
1 1 1   14    2    1 o  586.967   8.2411  2336.36   65.551   0.0000   0.0000  2336.36   65.551  ?   ?   586.967   8.2411      ?      ? 
1 1 1   14    2    2 o  451.250   7.2034  1376.45   41.198  1395.37   72.720  1367.51   49.995  453.429   11.835  449.071   8.2155 4.357361 14.40688 
1 1 1   14    2    3 o  555.802   8.4061  2106.14   59.802  2066.80  102.687  2126.32   73.564  551.708   13.735  559.896   9.6956 -8.187866 16.81224 
1 1 1   14    2    4 o  417.072   6.4832  1189.60   31.698  1159.94   63.086  1199.62   36.661  413.468   11.259  420.675   6.4310 -7.207153 12.96644 
1 1 1   14    2    5 f  497.983   7.2898  1684.32   42.483  1677.80   85.225  1686.47   49.005  497.202   12.649  498.763   7.2505 -1.561615 14.57954 
1 1 1   14    2    6 o  500.215   7.3052  1694.36   42.678  1702.78   86.062  1691.61   49.147  500.902   12.679  499.528   7.2603 1.374512 14.61030 
1 1 1   14    2    7 o  867.592   11.488  5136.65  117.214  5065.32  232.767  5160.89  135.672  862.991   19.904  872.192   11.479 -9.201721 22.97645 
1 1 1   14    2    8 o  987.336   11.161  6620.21  149.325  6598.26  210.723  6642.35  211.635  985.694   15.776  988.979   15.791 -3.285522 22.32119 
1 1 1   14    2    9 o  1473.45   16.307 14770.64  325.478 14426.16  452.849 15138.75  468.121  1455.72   22.956  1491.18   23.166 -35.45532 32.61324 
1 1 1   14    2   10 o  310.504   4.7039  653.377   19.791  640.526   27.775  666.629   28.206  307.403   6.6676  313.604   6.6370 -6.201721 9.407787 
1 1 1   14    2   11 f  1248.75   13.923 10592.23  235.499 10894.50  339.290 10311.22  327.135  1265.91   19.778  1231.59   19.601 34.31714 27.84558 
1 1 1   14    2   12 o  1060.04   11.912  7631.51  171.113  7570.16  240.682  7694.22  243.321  1055.74   16.823  1064.35   16.870 -8.608154 23.82458 
1 1 1   14    2   13 o  570.654   6.9590  2207.27   53.802  2160.41   75.111  2256.66   77.105  564.437   9.8198  576.872   9.8632 -12.43500 13.91804 
1 1 1   14    2   14 o  407.787   5.4760  1127.27   30.260  1121.97   42.651  1132.63   42.939  406.823   7.7365  408.751   7.7519 -1.928131 10.95199 
1 1 1   14    2   15 o  997.154   13.821  6732.00  175.288  6681.67  213.382  6836.43  307.395  991.989   15.873  1002.32   22.631 -10.32910 27.64299 
1 1 1   14    2   16 o  670.825   9.7656  3050.10   83.409  3042.55  101.754  3065.56  145.619  669.746   11.211  671.904   15.993 -2.157654 19.53125 
1 1 1   14    2   17 o  295.152   6.4805  590.476   25.920  590.476   25.920   0.0000   0.0000  295.152   6.4805  ?   ?       ?      ? 
1 1 1   14    2   18 o  518.769   6.4716  1823.50   45.478  1880.04   65.368  1770.45   63.314  526.557   9.1608  510.981   9.1435 15.57611 12.94312 
1 1 1   14    2   19 o  604.834   7.2880  2479.27   59.712  2553.50   85.879  2409.79   83.082  613.591   10.328  596.077   10.285 17.51422 14.57608 
1 1 1   14    2   20 o  442.155   8.1856  1325.50   49.046   0.0000   0.0000  1325.50   49.046  ?   ?   442.155   8.1856      ?      ? 
1 1 1   14    2   21 o  1156.82   15.876  9151.68  235.475  8994.51  402.950  9233.18  290.178  1148.28   25.895  1165.36   18.375 -17.08057 31.75207 
1 1 1   14    2   22 o  587.255   8.7677  2370.24   66.432  2240.96  111.074  2442.23   82.892  574.474   14.268  600.036   10.194 -25.56122 17.53543 
1 1 1   14    2   23 o  552.477   9.6107  2070.29   71.954   0.0000   0.0000  2070.29   71.954  ?   ?   552.477   9.6107      ?      ? 
1 1 1   14    2   24 o  267.897   8.8729  486.741   32.212  486.741   32.212   0.0000   0.0000  267.897   8.8729  ?   ?       ?      ? 
1 1 1   14    2   25 o  962.296   10.908  6293.01  142.237  6253.84  200.265  6332.89  202.055  959.278   15.406  965.314   15.446 -6.036194 21.81542 
1 1 1   14    2   26 o  664.772   7.8988  2999.08   71.153  2974.53   99.981  3024.27  101.282  662.019   11.145  667.525   11.196 -5.506287 15.79753 
1 1 1   14    2   27 o  510.340   9.0675  1766.73   62.709  1766.73   62.709   0.0000   0.0000  510.340   9.0675  ?   ?       ?      ? 
1 1 1   14    2   28 o  512.079   6.4335  1778.53   44.639  1813.76   63.651  1744.43   62.620  517.069   9.0840  507.089   9.1126 9.980011 12.86698 
1 1 1   14    2   29 o  625.483   7.5125  2655.54   63.676  2675.17   90.285  2636.10   89.819  627.785   10.613  623.181   10.636 4.603394 15.02493 
1 1 1   14    2   30 o  319.109   5.7636  659.343   23.177  610.690   27.597  775.791   42.695  300.097   6.7861  338.121   9.3181 -38.02341 11.52729 
1 1 1   14    2   31 o  228.812   5.0715  347.875   14.848  334.105   18.049  376.700   26.115  221.983   6.0001  235.641   8.1781 -13.65791 10.14310 
1 1 1   14    2   32 o  219.889   4.2050  327.607   12.525  318.625   17.429  337.201   18.013  216.775   5.9330  223.003   5.9606 -6.228851 8.410082 
1 1 1   14    2   33 o  750.606   8.7649  3830.29   89.151  3805.24  125.423  3855.87  126.744  748.131   12.371  753.081   12.419 -4.950928 17.52973 
1 1 1   14    2   34 o  368.716   5.2208  919.867   26.047  990.992   37.903  856.221   35.855  382.188   7.3183  355.243   7.4479 26.94562 10.44170 
1 1 1   14    2   35 o  779.508   9.0809  4133.56   95.906  4061.62  133.992  4209.14  137.332  772.568   12.798  786.449   12.886 -13.88159 18.16178 
1 1 1   14    2   36 o  378.720   6.5577  975.686   31.560  978.449   38.485  970.010   55.150  379.703   7.4794  377.737   10.774 1.966095 13.11547 
1 1 1   14    2   37 o  516.311   6.5148  1810.21   45.572  1859.73   65.208  1762.93   63.715  523.213   9.1969  509.410   9.2298 13.80276 13.02968 
1 1 1   14    2   38 f  412.750   5.5973  1155.31   31.288  1113.96   43.336  1200.33   45.219  405.047   7.8952  420.452   7.9363 -15.40408 11.19461 
1 1 1   14    2   39 o  563.181   6.9542  2155.70   53.063  2205.87   75.923  2107.79   74.193  569.585   9.8363  556.778   9.8333 12.80707 13.90847 
1 1 1   14    2   40 o  202.289   5.9044  277.640   16.186  277.640   16.186   0.0000   0.0000  202.289   5.9044  ?   ?       ?      ? 
1 1 1   14    2   41 o  184.096   4.1724  229.915   10.385  251.587   14.876  209.312   14.504  192.565   5.7005  175.626   6.0942 16.93904 8.344753 
1 1 1   14    2   42 o  356.533   6.3230  859.653   28.794  878.206   50.146  850.528   35.169  359.185   10.302  353.882   7.3337 5.302643 12.64608 
1 1 1   14    2   43 o  369.416   6.4270  915.782   30.213  964.170   53.376  892.968   36.650  376.270   10.468  362.562   7.4595 13.70816 12.85391 
1 1 1   14    2   44 o  343.223   6.1583  791.872   26.997  828.842   47.285  773.993   32.883  348.894   10.001  337.552   7.1886 11.34183 12.31660 
1 1 1   14    2   45 o  396.813   5.5018  1070.00   29.581  1054.42   41.411  1086.23   42.270  393.868   7.7585  399.758   7.8028 -5.890350 11.00359 
1 1 1   14    2   46 o  185.127   4.2368  232.740   10.626  236.387   14.926  228.992   15.130  186.603   5.9025  183.650   6.0795 2.952835 8.473514 
1 1 1   14    2   47 o  235.190   4.4145  375.478   14.066  367.811   19.637  383.557   20.158  232.727   6.2267  237.653   6.2593 -4.926483 8.828976 
1 1 1   14    2   48 o  244.131   4.4747  404.878   14.801  412.768   20.908  396.952   20.956  246.522   6.2587  241.740   6.3969 4.782196 8.949396 
1 1 1   14    2   49 o  222.278   5.3871  340.395   15.284  349.567   18.839  322.732   26.143  226.863   6.1279  217.694   8.8619 9.168716 10.77422 
1 1 1   14    2   50 o  425.682   7.0929  1244.56   38.660  1262.45   47.648  1210.11   66.137  430.676   8.1641  420.689   11.601 9.986359 14.18582 
1 1 1   14    2   51 o  150.486   4.3629  153.587   8.8893  145.995   12.286  161.928   12.878  146.589   6.1848  154.383   6.1554 -7.793839 8.725852 
1 1 1   14    2   52 o  200.017   4.3758  271.925   11.848  287.684   16.836  256.459   16.678  205.775   6.0374  194.260   6.3355 11.51443 8.751527 
1 1 1   14    2   53 o  341.955   6.3592  795.069   27.603  790.943   33.566  803.688   48.517  340.961   7.2645  342.949   10.439 -1.988190 12.71834 
1 1 1   14    2   54 f  281.602   5.9938  552.084   21.477  576.664   26.529  505.339   36.585  291.197   6.7227  272.007   9.9251 19.19049 11.98762 
1 1 1   14    2   55 o  341.521   5.1743  793.897   23.946  795.188   33.767  792.591   33.965  341.806   7.2900  341.236   7.3450 0.5704346 10.34853 
1 1 1   14    2   56 o  257.999   4.6895  452.874   16.392  462.800   23.138  442.873   23.225  260.851   6.5455  255.148   6.7171 5.703293 9.378923 
1 1 1   14    2   57 o  289.712   6.9261  573.272   27.177  549.459   37.795  598.766   39.106  283.477   9.8386  295.947   9.7511 -12.46979 13.85214 
1 1 1   14    2   58 o   65.412   8.4582   29.661   6.8122   30.746   12.186   29.168   8.2158   65.495   14.144   65.329   9.2803 0.1664886 16.91644 
1 1 1   14    2   59 o  134.298   5.8139  124.401   9.9346  119.247   17.143  127.008   12.190  132.007   9.5830  136.590   6.5859 -4.583725 11.62788 
1 1 1   14    2   60 f  230.008   5.5292  352.469   16.282  387.002   28.672  336.034   19.780  237.884   8.8944  222.133   6.5712 15.75101 11.05847 
1 1 1   14    2   61 o  335.870   6.3096  759.424   27.025  810.045   47.657  735.429   32.811  343.441   10.240  328.300   7.3751 15.14063 12.61918 
1 1 1   14    2   62 o   94.769   5.3512   61.459   6.8594   65.012   9.6291   57.799   9.7738   97.583   7.2816   91.955   7.8434 5.628029 10.70239 
1 1 1   14    2   63 o  171.189   4.5622  199.900   10.565  215.641   15.076  184.711   14.810  177.845   6.2556  164.532   6.6423 13.31258 9.124301 
1 1 1   14    2   64 o  170.651   4.5482  198.559   10.512  189.572   14.622  208.169   15.121  166.651   6.4748  174.650   6.3890 -7.999786 9.096335 
1 1 1   14    2   65 o  239.091   4.7230  390.847   15.297  396.098   21.441  385.403   21.831  240.761   6.5717  237.422   6.7852 3.338623 9.445954 
1 1 1   14    2   66 o   95.740   6.2284   58.675   7.7103   49.141   9.3462   78.987   13.642   84.547   8.1575  106.934   9.4143 -22.38741 12.45689 
1 1 1   14    2   67 o   77.367   5.8689   41.264   6.1468   43.472   8.7055   39.069   8.6804   79.465   8.0841   75.269   8.5101 4.195557 11.73777 
1 1 1   14    2   68 o   76.730   6.0236   40.961   6.2100   46.336   8.7022   35.383   8.8645   82.011   7.8303   71.449   9.1553 10.56120 12.04713 
1 1 1   14    2   69 o   84.931   6.7553   46.891   7.3843   40.312   8.9110   61.312   13.193   76.271   8.6214   93.590   10.402 -17.31821 13.51050 
1 1 1   14    2   70 f   90.321   5.6260   56.385   6.8747   61.068   9.9117   52.043   9.5433   93.971   7.7835   86.670   8.1254 7.300232 11.25190 
1 1 1   14    2   71 o   97.264   7.5097   66.435   9.8484   76.451   14.499   57.856   13.419  104.159   10.272   90.370   10.958 13.78812 15.01948 
1 1 1   14    2   72 o  140.203   6.9231  135.876   13.154   0.0000   0.0000  135.876   13.154  ?   ?   140.203   6.9231      ?      ? 
1 1 1   14    2   73 o   79.762   7.3662   46.117   7.4801   42.582   12.680   48.003   9.2638   76.657   12.206   82.866   8.2495 -6.209145 14.73245 
1 1 1   14    2   74 o   63.224   8.6549   28.823   6.8923   32.263   12.003   27.130   8.4184   64.760   14.079   61.688   10.070 3.072304 17.30975 
1 1 1   14    2   75 o  108.389   6.3969   80.848   8.8483   90.612   15.703   76.306   10.710  112.326   10.316  104.452   7.5667 7.874451 12.79389 
1 1 1   14    2   76 o   92.483   7.0246   63.042   8.2152   56.292   13.939   66.634   10.169   87.542   11.750   97.424   7.7026 -9.881302 14.04923 
1 1 1   14    2   77 o  107.488   5.3124   80.897   7.7013   70.640   10.595   92.385   11.213  100.135   7.8081  114.841   7.2054 -14.70576 10.62472 
1 1 1   14    2   78 f   59.960   7.7294   26.744   6.0902   21.429   8.4284   32.551   8.8100   52.753   12.054   67.168   9.6791 -14.41493 15.45888 
1 1 1   14    2   79 o  140.190   4.9935  138.033   9.4860  139.463   13.402  136.597   13.429  140.949   7.0164  139.430   7.1071 1.519165 9.987062 
1 1 1   14    2   80 o   89.614   7.3329   59.572   8.3795   61.129   10.369   56.640   14.226   92.574   8.2655   86.654   12.115 5.920509 14.66578 
1 1 1   14    2   81 o   86.554   6.0677   53.805   7.1157   55.147   10.108   52.487   10.019   87.664   8.5088   85.443   8.6526 2.220840 12.13536 
1 1 1   14    2   82 o   75.800   6.8513   42.136   7.0192   45.778   9.9913   38.587   9.8631   79.261   9.3021   72.340   10.061 6.920753 13.70255 
1 1 1   14    2   83 f   96.823   7.5905   69.744   9.2227   68.679   11.137   72.071   16.453   97.471   8.4314   96.176   12.624 1.295654 15.18102 
1 1 1   14    2   84 o   48.733   9.2606   19.692   6.4353   14.171   9.1459   25.106   9.0566   41.566   13.856   55.901   12.290 -14.33519 18.52130 
1 1 1   14    2   85 o   45.128   9.6342   17.267   6.4176   15.512   9.1785   18.946   8.9767   42.854   13.859   47.401   13.386 -4.546940 19.26841 
1 1 1   14    2   86 o   57.568   8.9684   27.612   6.8421   33.004   9.8062   22.496   9.5512   63.997   11.740   51.138   13.561 12.85881 17.93688 
1 1 1   14    2   87 o   32.078   9.7203   4.0626   7.0982   9.8335   12.513   1.3245   8.6192   36.752   15.264   27.405   12.040 9.347075 19.44064 
1 1 1   14    2   88 o   55.353   9.6557   30.828   8.0402   15.155   13.690   39.080   9.9338   40.325   16.262   70.381   10.415 -30.05661 19.31133 
1 1 1   14    2   89 o   86.627   8.4557   61.677   9.3717   67.610   16.224   58.706   11.481   86.930   13.772   86.323   9.8144 0.6071167 16.91143 
1 1 1   14    3    0 o  420.530   5.6149  1198.98   31.996  1187.34   45.017  1210.86   45.486  418.468   7.9383  422.592   7.9429 -4.123993 11.22970 
1 1 1   14    3    1 o  730.144   8.5461  3616.66   84.545  3681.99  120.886  3554.11  118.286  736.594   12.111  723.695   12.061 12.89886 17.09217 
1 1 1   14    3    2 o  592.646   8.3920  2428.11   58.829  2290.92  114.505  2477.31   68.571  580.845   14.547  604.447   8.3714 -23.60229 16.78397 
1 1 1   14    3    3 o  373.003   6.1096  952.705   26.559  925.181   53.267  961.810   30.639  369.311   10.644  376.695   6.0020 -7.384796 12.21920 
1 1 1   14    3    4 o  1095.18   14.215  8081.99  180.992  8307.60  369.299  8010.67  207.638  1104.07   24.683  1086.29   14.105 17.78284 28.42906 
1 1 1   14    3    5 o  844.871   11.175  4842.15  127.945   0.0000   0.0000  4842.15  127.945  ?   ?   844.871   11.175      ?      ? 
1 1 1   14    3    6 f  736.951   12.098  3684.74  120.815   0.0000   0.0000  3684.74  120.815  ?   ?   736.951   12.098      ?      ? 
1 1 1   14    3    7 o  816.007   11.535  4534.29  120.154  4486.61  207.853  4558.23  147.250  812.451   18.879  819.564   13.258 -7.113586 23.06938 
1 1 1   14    3    8 o  1091.82   14.174  8050.12  180.361  8213.82  366.045  7997.63  207.268  1098.13   24.598  1085.50   14.090 12.63477 28.34765 
1 1 1   14    3    9 o  423.094   6.5490  1222.81   32.364  1196.00   64.815  1231.71   37.354  419.902   11.391  426.286   6.4663 -6.383606 13.09804 
1 1 1   14    3   10 o  228.027   5.8678  352.414   18.132   0.0000   0.0000  352.414   18.132  ?   ?   228.027   5.8678      ?      ? 
1 1 1   14    3   11 o  428.648   5.6601  1244.91   32.869  1281.21   47.136  1210.55   45.857  434.728   8.0012  422.569   8.0080 12.15820 11.32016 
1 1 1   14    3   12 o  521.997   6.5091  1847.53   46.044  1841.56   64.951  1853.55   65.281  521.150   9.1969  522.843   9.2137 -1.692871 13.01829 
1 1 1   14    3   13 o  229.839   4.1765  358.045   13.008  360.445   18.384  355.639   18.408  230.611   5.8827  229.068   5.9302 1.542923 8.353024 
1 1 1   14    3   14 o  412.529   5.5283  1153.57   30.903  1168.19   43.937  1139.26   43.474  415.115   7.8105  409.943   7.8258 5.172058 11.05654 
1 1 1   14    3   15 o  491.470   7.5721  1629.08   47.529  1665.46   82.823  1611.22   58.037  495.459   12.336  487.480   8.7854 7.979004 15.14428 
1 1 1   14    3   16 o  644.427   9.3879  2836.38   77.790  2759.97  132.037  2877.00   96.273  637.576   15.282  651.279   10.908 -13.70258 18.77576 
1 1 1   14    3   17 o  632.906   9.2226  2690.26   74.191  2798.71  131.042  2639.10   90.005  642.035   15.062  623.778   10.648 18.25775 18.44513 
1 1 1   14    3   18 o  1135.02   12.715  8753.78  195.545  8869.42  278.784  8641.79  274.354  1142.39   18.008  1127.65   17.954 14.74512 25.42900 
1 1 1   14    3   19 o  690.942   9.9960  3176.90   86.740  3075.68  103.823  3410.82  157.838  673.318   11.379  708.567   16.438 -35.24939 19.99202 
1 1 1   14    3   20 o  407.553   6.7913  1119.78   35.010  1107.98   42.366  1145.18   62.167  404.256   7.7336  410.850   11.166 -6.593872 13.58251 
1 1 1   14    3   21 o  425.976   5.6464  1229.83   32.587  1263.76   46.599  1197.35   45.589  431.725   7.9650  420.227   8.0055 11.49808 11.29288 
1 1 1   14    3   22 o  580.606   7.0663  2286.15   55.591  2328.48   79.334  2245.31   77.920  585.886   9.9923  575.326   9.9943 10.55927 14.13264 
1 1 1   14    3   23 o  573.781   7.0184  2228.92   54.514  2133.51   75.043  2335.52   79.323  560.810   9.8745  586.753   9.9762 -25.94244 14.03671 
1 1 1   14    3   24 o  506.321   6.3733  1738.78   43.728  1754.64   62.004  1723.08   61.679  508.619   8.9959  504.022   9.0304 4.597137 12.74650 
1 1 1   14    3   25 o  336.842   6.1041  795.033   26.591  871.411   33.960  674.005   42.749  358.502   6.9903  315.182   10.009 43.32004 12.20820 
1 1 1   14    3   26 o  821.423   13.413  4581.39  149.076  4341.01  204.154  4855.98  218.198  798.430   18.869  844.417   19.068 -45.98694 26.82574 
1 1 1   14    3   27 o  729.099   12.074  3617.44  119.290  3596.12  168.534  3638.85  168.869  726.940   17.108  731.258   17.041 -4.318359 24.14728 
1 1 1   14    3   28 o  754.109   8.7884  3861.83   89.801  3926.23  128.132  3799.65  125.893  760.286   12.436  747.933   12.421 12.35370 17.57684 
1 1 1   14    3   29 o  447.914   5.8653  1359.79   35.585  1415.39   51.156  1307.66   49.533  456.779   8.2644  439.048   8.3252 17.73126 11.73070 
1 1 1   14    3   30 o  481.439   6.1627  1572.71   40.206  1587.20   56.927  1558.29   56.792  483.653   8.6856  479.224   8.7451 4.429504 12.32546 
1 1 1   14    3   31 o  355.966   5.1106  859.429   24.649  878.182   34.986  840.945   34.734  359.824   7.1750  352.107   7.2794 7.716736 10.22112 
1 1 1   14    3   32 o  125.148   4.1537  107.056   6.9651  125.041   9.8265   88.896   9.8740  135.805   5.3395  114.491   6.3641 21.31350 8.307359 
1 1 1   14    3   33 o  395.835   5.4347  1062.55   29.142  1103.31   41.730  1023.74   40.714  403.245   7.6366  388.426   7.7348 14.81934 10.86948 
1 1 1   14    3   34 o  324.881   4.8938  712.257   21.488  656.019   29.198  778.708   31.738  310.964   6.9287  338.797   6.9129 -27.83353 9.787547 
1 1 1   14    3   35 o  439.160   5.8059  1309.00   34.548  1340.02   49.220  1278.87   48.503  444.292   8.1750  434.029   8.2465 10.26358 11.61187 
1 1 1   14    3   36 o  215.325   4.2293  314.702   12.327  332.086   17.451  297.390   17.416  221.270   5.8200  209.380   6.1379 11.88991 8.458533 
1 1 1   14    3   37 o  388.701   7.5930  1025.68   39.996  1025.68   39.996   0.0000   0.0000  388.701   7.5930  ?   ?       ?      ? 
1 1 1   14    3   38 o  130.281   5.3627  118.699   8.5688  123.831   10.271  106.950   15.541  135.112   5.6097  125.450   9.1414 9.662453 10.72543 
1 1 1   14    3   39 o  198.844   5.2561  268.981   13.135  269.851   15.862  267.083   23.431  199.435   5.8690  198.253   8.7214 1.182129 10.51226 
1 1 1   14    3   40 o  209.133   5.1328  297.904   13.889  293.826   23.343  300.139   17.281  207.954   8.2835  210.311   6.0636 -2.357376 10.26565 
1 1 1   14    3   41 o  159.958   4.1912  173.842   9.0625  188.857   12.862  159.038   12.771  166.835   5.6889  153.081   6.1564 13.75433 8.382449 
1 1 1   14    3   42 o  190.010   4.2058  245.156   10.807  265.755   15.391  225.128   15.177  197.896   5.7393  182.123   6.1493 15.77370 8.411519 
1 1 1   14    3   43 o  391.673   5.4530  1041.82   28.932  1081.37   41.441  1004.21   40.411  398.928   7.6658  384.418   7.7574 14.51001 10.90602 
1 1 1   14    3   44 o  262.151   9.0685  467.610   32.216  467.610   32.216   0.0000   0.0000  262.151   9.0685  ?   ?       ?      ? 
1 1 1   14    3   45 o  290.836   4.7451  574.514   18.701  573.350   26.356  575.695   26.540  290.540   6.6941  291.131   6.7271 -0.5902710 9.490228 
1 1 1   14    3   46 o  250.233   8.8946  426.190   30.162   0.0000   0.0000  426.190   30.162  ?   ?   250.233   8.8946      ?      ? 
1 1 1   14    3   47 o  222.440   5.3148  336.492   15.129  336.679   18.565  336.123   26.103  222.657   6.1527  222.224   8.6678 0.4330444 10.62954 
1 1 1   14    3   48 o  215.327   4.3768  315.017   12.755  335.749   18.145  294.764   17.934  222.347   6.0220  208.308   6.3531 14.03941 8.753641 
1 1 1   14    3   49 o  255.039   4.5663  442.013   15.776  456.894   22.357  427.254   22.264  259.326   6.3618  250.753   6.5522 8.573090 9.132571 
1 1 1   14    3   50 o  193.773   4.3394  254.711   11.386  244.153   15.756  266.253   16.473  189.576   6.1331  197.970   6.1405 -8.393234 8.678730 
1 1 1   14    3   51 o  202.417   4.4006  278.554   12.064  287.710   16.995  269.254   17.129  205.783   6.0942  199.050   6.3500 6.732864 8.801234 
1 1 1   14    3   52 o  330.963   5.0781  744.989   22.772  736.827   31.909  753.461   32.510  329.121   7.1543  332.806   7.2085 -3.684357 10.15614 
1 1 1   14    3   53 o  321.415   6.2288  701.816   25.390  697.225   30.836  711.481   44.739  320.135   7.1079  322.696   10.231 -2.560516 12.45765 
1 1 1   14    3   54 o   85.132   6.7012   46.547   7.3319   58.814   13.104   40.957   8.8462   92.747   10.426   77.518   8.4211 15.22890 13.40234 
1 1 1   14    3   55 f  185.892   5.4722  233.001   12.873  228.866   15.561  241.966   22.911  183.473   6.2588  188.312   8.9783 -4.838745 10.94446 
1 1 1   14    3   56 o  278.427   4.7946  527.529   18.087  540.597   25.610  514.527   25.546  281.880   6.7045  274.974   6.8557 6.906555 9.589126 
1 1 1   14    3   57 o  441.579   5.9972  1329.47   35.873  1376.04   51.539  1285.70   49.962  449.079   8.4690  434.078   8.4936 15.00150 11.99441 
1 1 1   14    3   58 o  225.347   5.4595  332.406   15.747  388.041   28.071  306.858   19.022  238.370   8.6900  212.325   6.6112 26.04500 10.91897 
1 1 1   14    3   59 o   77.768   5.8286   41.248   6.1359   38.619   8.5376   44.058   8.8243   75.197   8.3782   80.338   8.1054 -5.141106 11.65729 
1 1 1   14    3   60 o   84.337   6.8473   44.985   7.4191   61.188   13.352   37.748   8.9235   94.395   10.438   74.280   8.8651 20.11553 13.69457 
1 1 1   14    3   61 o  256.704   5.7950  444.600   18.987  468.392   33.334  433.174   23.101  261.348   9.4122  252.060   6.7631 9.288040 11.59006 
1 1 1   14    3   62 f  175.152   6.3775  209.144   15.137  209.144   15.137   0.0000   0.0000  175.152   6.3775  ?   ?       ?      ? 
1 1 1   14    3   63 o  149.851   5.4876  150.533   10.574  144.081   12.918  163.635   18.410  145.299   6.5608  154.403   8.7985 -9.104156 10.97526 
1 1 1   14    3   64 o  183.893   5.5558  234.141   13.062  239.207   16.110  224.422   22.314  187.189   6.3509  180.597   9.1178 6.592392 11.11161 
1 1 1   14    3   65 o  237.694   4.7128  386.327   15.175  400.266   21.575  372.681   21.348  241.964   6.5800  233.424   6.7488 8.540619 9.425613 
1 1 1   14    3   66 o  108.743   5.1121   81.084   7.5328   82.375   10.715   79.822   10.592  109.602   7.2142  107.884   7.2451 1.717491 10.22424 
1 1 1   14    3   67 o  100.002   5.1618   68.665   6.9898   65.019   9.7830   72.467   9.9904   97.269   7.4219  102.735   7.1760 -5.466484 10.32370 
1 1 1   14    3   68 o   90.280   5.4659   56.195   6.6627   62.550   9.5383   50.139   9.3107   95.334   7.3831   85.226   8.0617 10.10756 10.93170 
1 1 1   14    3   69 o  117.710   4.9096   95.137   7.7982   83.610   10.773  107.823   11.302  110.164   7.2166  125.257   6.6586 -15.09267 9.819168 
1 1 1   14    3   70 o   89.068   8.0720   63.510   8.1398   75.224   10.013   40.683   13.978  104.433   7.0751   73.703   14.511 30.72990 16.14408 
1 1 1   14    3   71 o  103.863   6.8684   79.877   8.7778   87.283   10.741   64.989   15.229  112.390   7.0526   95.335   11.788 17.05571 13.73682 
1 1 1   14    3   72 o   49.222   8.2606   17.997   5.4434   20.553   7.8371   15.614   7.5663   52.711   11.310   45.732   12.043 6.978371 16.52118 
1 1 1   14    3   73 o   68.201   8.2613   34.881   6.9723   31.500   11.800   36.694   8.6424   64.172   13.966   72.230   8.8294 -8.057846 16.52269 
1 1 1   14    3   74 o   68.535   9.2455   35.415   8.3781   31.980   12.085   38.594   11.625   64.261   14.251   72.808   11.783 -8.547089 18.49106 
1 1 1   14    3   75 o   78.437   9.1509   47.408   9.0849   30.709   12.787   64.428   12.910   62.116   15.293   94.757   10.054 -32.64119 18.30179 
1 1 1   14    3   76 o   52.196   8.2023   20.712   5.6897   16.176   7.9472   25.482   8.1496   45.859   12.463   58.532   10.668 -12.67308 16.40459 
1 1 1   14    3   77 o  141.452   4.9094  139.964   9.4053  145.913   13.351  134.103   13.251  144.516   6.8175  138.389   7.0661 6.127167 9.818802 
1 1 1   14    3   78 o  115.970   6.2822   96.362   9.3802   96.726   11.629   95.683   15.871  117.273   7.3171  114.666   10.214 2.607521 12.56443 
1 1 1   14    3   79 o   56.388   8.1461   24.467   6.1020   30.126   8.5121   18.483   8.7520   64.427   9.7496   48.349   13.053 16.07770 16.29223 
1 1 1   14    3   80 o  109.766   5.4179   85.581   8.0208   95.326   11.393   76.007   11.294  116.237   7.2332  103.294   8.0681 12.94347 10.83573 
1 1 1   14    3   81 o   67.196   7.3810   33.847   6.4912   28.582   9.1514   39.178   9.2087   60.938   11.504   73.454   9.2512 -12.51585 14.76205 
1 1 1   14    3   82 o  106.827   5.5894   81.560   8.0851   86.125   11.652   77.321   11.228  109.757   7.8341  103.897   7.9746 5.859085 11.17888 
1 1 1   14    3   83 o   46.166   9.0801   17.356   6.0528   12.635   8.5717   22.051   8.5483   39.836   13.414   52.497   12.241 -12.66114 18.16011 
1 1 1   14    3   84 o   45.300   10.219   18.025   7.2549   20.799   8.9671   12.769   12.344   50.126   13.067   40.474   15.715 9.652061 20.43813 
1 1 1   14    3   85 o   28.380   8.5551   1.7644   5.9863  -2.6472   8.4590   6.1904   8.4728   24.824   11.328   31.936   12.823 -7.111977 17.11027 
1 1 1   14    3   86 o   27.393   8.7321  -0.6267   6.7894  -4.8028   11.383   1.6796   8.4589   27.128   12.646   27.658   12.045 -0.5305519 17.46425 
1 1 1   14    3   87 o   49.143   9.9559   23.542   7.5965   13.184   12.742   29.253   9.4617   39.165   15.726   59.122   12.214 -19.95670 19.91184 
1 1 1   14    3   88 o   23.645   10.996  -3.6471   8.5228   0.0000   0.0000  -3.6471   8.5228  ?   ?    23.645   10.996      ?      ? 
1 1 1   14    4    0 o  741.751   8.6594  3732.98   87.041  3754.29  123.517  3711.96  122.676  743.853   12.253  739.649   12.239 4.203674 17.31887 
1 1 1   14    4    1 o  579.803   10.027  2279.88   78.779  2279.88   78.779   0.0000   0.0000  579.803   10.027  ?   ?       ?      ? 
1 1 1   14    4    2 o  792.983   9.1720  4266.99   98.561  4289.95  139.835  4244.33  138.943  795.101   12.978  790.864   12.964 4.237061 18.34407 
1 1 1   14    4    3 o  175.450   8.8118  208.717   20.951  208.717   20.951   0.0000   0.0000  175.450   8.8118  ?   ?       ?      ? 
1 1 1   14    4    4 o  1027.98   13.380  7171.30  186.385   0.0000   0.0000  7171.30  186.385  ?   ?   1027.98   13.380      ?      ? 
1 1 1   14    4    5 o  1045.66   16.694  7426.27  236.560   0.0000   0.0000  7426.27  236.560  ?   ?   1045.66   16.694      ?      ? 
1 1 1   14    4    6 o  550.062   9.6415  2051.73   71.869   0.0000   0.0000  2051.73   71.869  ?   ?   550.062   9.6415      ?      ? 
1 1 1   14    4    7 o  485.217   12.611  1597.38   82.923   0.0000   0.0000  1597.38   82.923  ?   ?   485.217   12.611      ?      ? 
1 1 1   14    4    8 o  958.227   21.875  6246.46  284.049   0.0000   0.0000  6246.46  284.049  ?   ?   958.227   21.875      ?      ? 
1 1 1   14    4    9 o  262.625   9.2961  467.668   33.084   0.0000   0.0000  467.668   33.084  ?   ?   262.625   9.2961      ?      ? 
1 1 1   14    4   10 o  734.827   9.9745  3661.72   99.325   0.0000   0.0000  3661.72   99.325  ?   ?   734.827   9.9745      ?      ? 
1 1 1   14    4   11 o  555.614   9.6777  2090.29   72.758  2178.91  106.508  2012.75   99.627  566.619   13.871  544.609   13.499 22.00970 19.35546 
1 1 1   14    4   12 o  557.063   6.8510  2102.36   51.692  2041.80   71.743  2167.75   74.545  548.729   9.6480  565.397   9.7292 -16.66858 13.70193 
1 1 1   14    4   13 o  625.783   7.5094  2655.12   63.671  2708.24   91.016  2604.21   89.103  631.909   10.629  619.656   10.611 12.25354 15.01876 
1 1 1   14    4   14 o  336.369   4.9039  766.955   22.351  780.292   31.675  753.727   31.545  339.282   6.8892  333.455   6.9809 5.827209 9.807857 
1 1 1   14    4   15 o  588.440   7.1495  2348.18   57.009  2331.60   80.180  2365.13   81.072  586.341   10.091  590.540   10.131 -4.198853 14.29892 
1 1 1   14    4   16 o  771.884   8.9539  4041.74   93.643  4121.63  133.898  3965.25  131.012  779.347   12.678  764.422   12.647 14.92542 17.90785 
1 1 1   14    4   17 o  410.709   5.5137  1143.50   30.685  1134.03   43.084  1153.24   43.714  408.986   7.7736  412.433   7.8215 -3.447083 11.02743 
1 1 1   14    4   18 o  976.967   11.062  6475.89  146.357  6275.22  202.602  6694.89  211.655  961.171   15.555  992.763   15.733 -31.59222 22.12380 
1 1 1   14    4   19 o  693.996   8.1830  3267.41   76.950  3321.69  109.730  3214.88  107.939  699.667   11.573  688.326   11.572 11.34052 16.36596 
1 1 1   14    4   20 o  493.052   7.5511  1600.86   46.918  1523.62   56.128  1779.99   85.480  473.996   8.7382  512.108   12.317 -38.11163 15.10211 
1 1 1   14    4   21 o  929.726   12.958  5934.71  155.187  6061.76  192.835  5701.17  261.436  944.578   15.065  914.873   21.087 29.70514 25.91574 
1 1 1   14    4   22 o  614.873   8.9972  2502.03   69.578  2399.57   83.221  2739.95  126.818  594.703   10.326  635.043   14.736 -40.34045 17.99443 
1 1 1   14    4   23 o  340.993   6.2175  788.388   26.694  787.918   32.251  789.411   47.564  340.897   6.9814  341.090   10.290 -0.1929932 12.43500 
1 1 1   14    4   24 o  346.120   5.0284  811.753   23.572  850.703   33.773  774.756   32.916  354.213   7.0359  338.027   7.1857 16.18576 10.05678 
1 1 1   14    4   25 o  384.894   5.3455  997.676   27.785  912.054   37.523  1101.61   41.341  366.738   7.5502  403.049   7.5691 -36.31161 10.69097 
1 1 1   14    4   26 f  541.381   6.7189  1986.92   49.269  1932.63   68.389  2045.51   71.040  533.702   9.4560  549.060   9.5478 -15.35809 13.43782 
1 1 1   14    4   27 o  383.578   5.3329  993.604   27.661  926.537   37.700  1071.81   40.711  369.617   7.5267  397.539   7.5571 -27.92130 10.66588 
1 1 1   14    4   28 f  478.037   6.1455  1548.39   39.783  1494.72   55.017  1607.21   57.594  469.369   8.6497  486.706   8.7322 -17.33670 12.29099 
1 1 1   14    4   29 o  504.082   7.8630  1742.06   50.945  1673.50   86.237  1778.82   63.141  496.193   12.825  511.970   9.1009 -15.77686 15.72606 
1 1 1   14    4   30 o  667.712   7.9574  3028.23   71.994  3081.39  102.651  2976.76  101.000  673.480   11.248  661.945   11.259 11.53552 15.91483 
1 1 1   14    4   31 o  540.443   9.4866  1983.06   69.478  1983.06   69.478   0.0000   0.0000  540.443   9.4866  ?   ?       ?      ? 
1 1 1   14    4   32 o  425.333   5.7001  1221.01   32.763  1131.58   44.410  1327.80   48.532  408.341   8.0255  442.324   8.0966 -33.98294 11.40018 
1 1 1   14    4   33 o  192.062   4.1262  249.818   10.731  241.480   14.820  259.009   15.559  188.699   5.7955  195.425   5.8750 -6.726074 8.252498 
1 1 1   14    4   34 o  262.726   4.4870  467.352   15.937  515.163   23.047  423.542   22.061  275.586   6.1711  249.865   6.5154 25.72083 8.974012 
1 1 1   14    4   35 o  112.617   4.2037   86.224   6.3965   89.186   8.8118   82.925   9.3000  114.671   5.6706  110.562   6.2072 4.109177 8.407434 
1 1 1   14    4   36 o  271.136   5.4782  497.001   19.183  506.067   32.630  492.212   23.714  272.937   8.8222  269.335   6.4971 3.601929 10.95645 
1 1 1   14    4   37 f  246.704   5.2726  405.447   16.781  438.224   28.998  388.946   20.576  253.992   8.4250  239.417   6.3418 14.57468 10.54512 
1 1 1   14    4   38 o  212.318   4.2400  305.293   12.187  293.128   16.783  318.864   17.726  207.854   5.9582  216.782   6.0341 -8.928925 8.480021 
1 1 1   14    4   39 o  127.516   4.1776  110.059   7.2052  106.177   9.8300  114.566   10.592  125.096   5.7987  129.937   6.0154 -4.841019 8.355197 
1 1 1   14    4   40 o  603.855   9.0923  2490.51   69.854  2494.75   85.274  2481.86  121.790  605.378   10.395  602.331   14.921 3.046814 18.18458 
1 1 1   14    4   41 o  265.178   5.7067  477.409   18.975  476.638   22.845  479.125   34.077  264.982   6.3620  265.374   9.4759 -0.3915710 11.41348 
1 1 1   14    4   42 o  354.168   5.1636  852.062   24.779  849.843   34.712  854.367   35.382  353.705   7.2420  354.631   7.3624 -0.9253235 10.32724 
1 1 1   14    4   43 o  154.338   5.2647  169.688   10.235  186.798   12.750  138.677   17.165  165.902   5.6711  142.775   8.8717 23.12732 10.52939 
1 1 1   14    4   44 f  107.456   5.2784   77.582   7.2296   75.906   8.7897   81.087   12.711  105.735   6.1344  109.177   8.5915 -3.442505 10.55675 
1 1 1   14    4   45 o  214.872   4.3444  312.996   12.639  300.312   17.453  326.985   18.329  210.303   6.1241  219.441   6.1636 -9.137863 8.688764 
1 1 1   14    4   46 o  177.169   5.3745  217.018   12.142  202.485   20.716  224.625   14.987  172.463   8.8638  181.874   6.0808 -9.410675 10.74907 
1 1 1   14    4   47 o  385.765   5.4469  1012.08   28.472  1010.08   39.994  1014.13   40.543  385.388   7.6579  386.142   7.7479 -0.7539673 10.89377 
1 1 1   14    4   48 o  169.275   4.3505  195.010   9.9579  208.025   14.003  181.693   14.164  175.017   5.9040  163.533   6.3914 11.48390 8.700990 
1 1 1   14    4   49 o  188.537   5.4898  245.115   12.973  250.699   15.714  233.166   22.988  192.110   6.0361  184.964   9.1714 7.145660 10.97952 
1 1 1   14    4   50 o  260.025   5.6493  454.182   18.801  478.640   32.841  442.258   22.931  264.976   9.1459  255.073   6.6339 9.902435 11.29852 
1 1 1   14    4   51 o  139.089   4.4581  131.574   8.3965  135.987   11.798  127.045   11.952  141.464   6.1543  136.715   6.4515 4.749252 8.916116 
1 1 1   14    4   52 o  270.595   4.7245  497.503   17.307  530.103   24.827  466.685   24.139  279.229   6.5611  261.962   6.7997 17.26764 9.449054 
1 1 1   14    4   53 o  298.404   4.9036  604.761   19.805  648.373   28.597  564.565   27.455  308.742   6.8351  288.065   7.0331 20.67682 9.807299 
1 1 1   14    4   54 o  183.752   4.4257  229.523   11.010  243.180   15.704  216.322   15.440  189.140   6.1271  178.364   6.3878 10.77531 8.851333 
1 1 1   14    4   55 o  137.307   5.4579  128.950   9.7300  126.610   16.205  130.269   12.167  136.220   8.7785  138.393   6.4879 -2.173203 10.91583 
1 1 1   14    4   56 o  278.191   4.8488  526.247   18.255  565.420   26.228  489.440   25.424  288.248   6.7146  268.133   6.9969 20.11526 9.697598 
1 1 1   14    4   57 o  131.377   6.1355  122.283   9.8883  129.122   11.905  107.065   17.758  137.757   6.3770  124.997   10.484 12.76051 12.27094 
1 1 1   14    4   58 o  286.310   4.8639  558.400   18.870  566.641   26.656  550.122   26.715  288.440   6.8197  284.180   6.9371 4.260651 9.727854 
1 1 1   14    4   59 o  135.397   4.7270  124.891   8.6722  125.256   12.188  124.517   12.342  135.602   6.6328  135.191   6.7367 0.4118042 9.453932 
1 1 1   14    4   60 o  189.347   4.5768  244.444   11.735  252.561   16.499  236.133   16.696  192.554   6.3228  186.139   6.6189 6.415070 9.153615 
1 1 1   14    4   61 o  182.751   5.6995  238.320   13.278  263.705   16.767  195.624   21.745  196.707   6.2901  168.796   9.5065 27.91142 11.39909 
1 1 1   14    4   62 o   92.068   6.5543   53.729   7.7656   73.461   13.919   44.811   9.3573  103.293   9.9438   80.843   8.5414 22.45010 13.10851 
1 1 1   14    4   63 o  151.895   4.6076  157.542   9.4835  159.549   13.402  155.529   13.421  152.872   6.4694  150.918   6.5625 1.954391 9.215178 
1 1 1   14    4   64 o  170.891   4.6155  199.505   10.666  217.580   15.281  182.336   14.893  178.481   6.3182  163.300   6.7300 15.18117 9.231008 
1 1 1   14    4   65 o  225.988   4.6681  348.843   14.268  380.675   20.600  319.490   19.781  235.933   6.4430  216.043   6.7567 19.89005 9.336275 
1 1 1   14    4   66 o  100.693   5.2284   69.795   7.0974   78.486   10.097   61.307   9.9783  106.979   6.9650   94.407   7.7996 12.57298 10.45681 
1 1 1   14    4   67 o   50.956   7.8684   18.716   5.4870   11.349   7.6531   26.510   7.8712   40.119   12.621   61.794   9.3996 -21.67514 15.73681 
1 1 1   14    4   68 o   98.372   5.2468   66.699   6.9929   67.154   9.8135   66.230   9.9673   98.732   7.3348   98.012   7.5043 0.7194443 10.49350 
1 1 1   14    4   69 o  112.402   5.0253   87.123   7.6525   88.448   10.756   85.764   10.890  113.295   7.0056  111.509   7.2067 1.786255 10.05063 
1 1 1   14    4   70 o   60.689   7.5997   27.630   5.8804   16.839   8.4224   37.893   8.2137   47.545   12.792   73.834   8.2093 -26.28830 15.19938 
1 1 1   14    4   71 o  115.633   6.1177   92.296   9.0620   97.178   15.760   89.884   11.076  117.331   9.9118  113.936   7.1738 3.395042 12.23548 
1 1 1   14    4   72 o   63.281   8.7132   30.370   6.7774   31.857   8.2233   27.221   11.967   67.293   9.0176   59.269   14.912 8.024147 17.42646 
1 1 1   14    4   73 o   75.863   6.0845   40.598   6.1974   34.060   8.6667   47.441   8.8657   69.388   9.2169   82.338   7.9456 -12.95078 12.16901 
1 1 1   14    4   74 o   53.700   7.8332   21.312   5.6156   16.282   7.8090   26.699   8.0814   46.251   12.261   61.148   9.7527 -14.89658 15.66644 
1 1 1   14    4   75 o   42.996   14.619   13.851   10.181   0.0000   0.0000   13.851   10.181  ?   ?    42.996   14.619      ?      ? 
1 1 1   14    4   76 o   30.726   9.3183   1.4208   6.9060   3.1649   10.428   0.0584   9.2167   32.680   13.777   28.772   12.550 3.907522 18.63657 
1 1 1   14    4   77 o   69.470   9.3739   34.693   8.8247   0.0000   0.0000   34.693   8.8247  ?   ?    69.470   9.3739      ?      ? 
1 1 1   14    4   78 o  109.196   6.3424   82.205   9.0638   73.418   11.216   98.741   15.387  101.654   8.1422  116.739   9.7266 -15.08482 12.68473 
1 1 1   14    4   79 f   50.744   8.6689   20.088   5.9036   22.215   8.5065   18.111   8.1998   53.481   12.029   48.008   12.486 5.473156 17.33782 
1 1 1   14    4   80 o   92.271   5.8648   60.925   7.3272   64.094   10.422   57.828   10.304   94.748   8.1169   89.795   8.4676 4.952728 11.72961 
1 1 1   14    4   81 o   79.806   6.5959   46.647   7.0452   38.580   9.9157   54.872   10.012   72.302   10.120   87.310   8.4620 -15.00801 13.19188 
1 1 1   14    4   82 o   48.123   8.8696   18.593   6.2095   26.929   8.8769   10.606   8.6892   58.740   11.563   37.506   13.452 21.23371 17.73928 
1 1 1   14    4   83 o   35.287   8.8552   8.4754   5.6793   2.9247   7.9183   14.356   8.1504   28.614   12.031   41.960   12.996 -13.34595 17.71033 
1 1 1   14    4   84 o   28.940   9.0997   0.0722   6.7833   3.0477   11.671  -1.4458   8.3359   32.355   14.117   25.524   11.486 6.830509 18.19939 
1 1 1   14    4   85 o   87.788   10.268   66.736   11.461   85.670   16.176   47.651   16.241  104.390   11.435   71.186   17.059 33.20372 20.53682 
1 1 1   14    4   86 o   49.424   11.882   24.149   9.5788   20.670   13.338   27.855   13.765   46.012   16.646   52.836   16.960 -6.824223 23.76429 
1 1 1   14    4   87 o   51.555   10.251   25.966   7.6092   20.144   13.305   28.796   9.2758   44.641   16.547   58.468   12.106 -13.82723 20.50279 
1 1 1   14    4   88 o   86.035   9.9095   66.718   11.246   64.799   16.388   68.426   15.462   83.071   15.114   89.000   12.820 -5.928757 19.81903 
1 1 1   14    5    0 o  336.850   4.9549  768.372   22.607  800.364   32.545  738.545   31.425  343.619   6.9892  330.082   7.0254 13.53769 9.909894 
1 1 1   14    5    1 o  977.957   11.074  6493.10  146.757  6434.22  206.272  6553.45  208.843  973.471   15.636  982.443   15.687 -8.971619 22.14873 
1 1 1   14    5    2 o  755.079   10.835  3883.69  104.547  3831.70  180.348  3910.01  128.305  751.008   17.721  759.150   12.472 -8.142090 21.66973 
1 1 1   14    5    3 f  422.228   8.1722  1206.89   46.711  1281.36   67.727  1139.32   64.507  434.628   11.499  409.828   11.615 24.80099 16.34447 
1 1 1   14    5    4 o  516.949   8.0378  1819.72   53.097  1791.36   91.557  1834.10   65.177  513.807   13.149  520.091   9.2477 -6.283997 16.07566 
1 1 1   14    5    5 o  610.231   10.547  2527.79   87.213  2520.84  122.856  2534.85  123.826  609.389   14.877  611.073   14.953 -1.684448 21.09329 
1 1 1   14    5    6 o  1302.61   20.598 11578.45  363.600 11527.92  512.449 11629.69  515.987  1299.76   29.094  1305.46   29.167 -5.701782 41.19686 
1 1 1   14    5    7 o  633.836   10.857  2727.54   93.250  2731.29  131.644  2723.76  132.107  634.276   15.316  633.395   15.391 0.8811035 21.71318 
1 1 1   14    5    8 o  443.406   8.3957  1333.80   50.445  1339.35   71.096  1328.18   71.588  444.338   11.807  442.475   11.939 1.862854 16.79135 
1 1 1   14    5    9 o  422.916   8.1531  1211.10   46.681  1163.38   64.322  1264.21   67.854  414.132   11.461  431.700   11.599 -17.56808 16.30628 
1 1 1   14    5   10 o  182.120   6.1860  225.195   15.229  229.839   20.940  219.980   22.188  184.120   8.3925  180.119   9.0903 4.001511 12.37201 
1 1 1   14    5   11 o  630.519   10.808  2698.81   92.334  2670.48  129.298  2728.29  131.902  627.150   15.214  633.890   15.355 -6.739807 21.61576 
1 1 1   14    5   12 o  568.582   9.9834  2194.37   76.917  2187.53  108.022  2201.40  109.547  567.689   14.042  569.475   14.195 -1.786743 19.96682 
1 1 1   14    5   13 o  756.817   17.711  3892.35  181.637  3892.35  181.637   0.0000   0.0000  756.817   17.711  ?   ?       ?      ? 
1 1 1   14    5   15 f  397.933   10.648  1074.17   57.417   0.0000   0.0000  1074.17   57.417  ?   ?   397.933   10.648      ?      ? 
1 1 1   14    5   16 o  312.930   5.6345  655.195   22.636  637.425   27.685  691.031   39.316  306.645   6.6623  319.215   9.0887 -12.56937 11.26896 
1 1 1   14    5   17 o  331.496   4.8849  743.358   21.920  706.510   30.189  784.451   31.880  322.826   6.9008  340.167   6.9159 -17.34064 9.769897 
1 1 1   14    5   18 o  224.786   4.1815  341.812   12.724  323.496   17.561  362.056   18.463  218.459   5.9319  231.113   5.8950 -12.65385 8.362927 
1 1 1   14    5   19 o  519.145   6.5036  1825.36   45.719  1758.79   63.178  1898.54   66.243  509.225   9.1554  529.064   9.2395 -19.83899 13.00728 
1 1 1   14    5   20 o  356.241   5.0946  859.281   24.576  829.349   33.974  892.138   35.595  349.743   7.1683  362.739   7.2413 -12.99551 10.18924 
1 1 1   14    5   21 f  1105.82   12.428  8319.10  186.222  8245.08  261.508  8395.25  265.249  1100.84   17.530  1110.80   17.621 -9.955688 24.85559 
1 1 1   14    5   22 o  355.829   5.1019  858.617   24.597  875.404   34.770  841.800   34.802  359.314   7.1409  352.345   7.2887 6.969269 10.20380 
1 1 1   14    5   23 o  755.503   8.8133  3868.32   90.137  4062.10  131.098  3694.58  124.134  773.406   12.509  737.601   12.419 35.80463 17.62653 
1 1 1   14    5   24 o  411.277   5.5610  1145.92   30.975  1110.25   42.910  1184.74   44.759  404.602   7.8261  417.952   7.9026 -13.34952 11.12199 
1 1 1   14    5   25 o  705.412   10.279  3422.18   93.028  3508.64  115.212  3260.20  157.694  718.776   11.828  692.049   16.815 26.72705 20.55844 
1 1 1   14    5   26 o  341.275   5.0074  788.287   23.134  754.175   31.854  826.358   33.652  333.480   7.0488  349.071   7.1140 -15.59122 10.01472 
1 1 1   14    5   27 o  140.343   4.0806  132.731   7.7318  118.252   10.518  149.755   11.405  132.064   5.8772  148.621   5.6626 -16.55728 8.161275 
1 1 1   14    5   28 o  465.643   6.0373  1471.36   38.095  1477.55   53.724  1465.11   54.025  466.631   8.4960  464.655   8.5800 1.976013 12.07469 
1 1 1   14    5   29 o  468.694   6.0897  1482.28   38.565  1633.14   57.026  1355.13   52.352  490.547   8.5784  446.842   8.6456 43.70584 12.17931 
1 1 1   14    5   30 o  196.715   5.1839  260.273   13.031  269.293   22.746  255.866   15.899  199.189   8.4267  194.240   6.0401 4.949173 10.36781 
1 1 1   14    5   31 o  173.839   8.3629  205.133   19.701  205.133   19.701   0.0000   0.0000  173.839   8.3629  ?   ?       ?      ? 
1 1 1   14    5   32 o  239.800   5.1836  381.100   16.068  420.102   27.756  361.441   19.706  248.765   8.2336  230.835   6.2997 17.93025 10.36716 
1 1 1   14    5   33 o  796.541   11.337  4317.16  115.292  4377.94  200.503  4287.14  140.919  799.697   18.502  793.385   13.107 6.312195 22.67394 
1 1 1   14    5   34 o  167.787   4.1573  191.217   9.4397  200.443   13.253  181.717   13.449  171.906   5.6890  163.668   6.0637 8.238297 8.314676 
1 1 1   14    5   35 o  443.617   5.8721  1336.12   35.292  1378.38   50.410  1295.50   49.426  450.500   8.2573  436.734   8.3513 13.76563 11.74423 
1 1 1   14    5   36 o  208.827   4.2579  296.086   12.035  312.781   17.033  279.440   17.008  214.718   5.8539  202.937   6.1847 11.78137 8.515768 
1 1 1   14    5   37 o  364.081   5.2207  900.138   25.753  922.457   36.484  877.977   36.356  368.588   7.3044  359.575   7.4610 9.012451 10.44132 
1 1 1   14    5   38 o  491.149   6.3106  1639.81   41.998  1632.42   58.952  1647.42   59.846  490.034   8.8775  492.263   8.9712 -2.228973 12.62112 
1 1 1   14    5   39 o  223.932   4.3670  339.244   13.226  323.309   18.029  357.814   19.462  218.261   6.0957  229.603   6.2551 -11.34186 8.734031 
1 1 1   14    5   40 o  545.479   8.3269  2015.87   57.773  1991.04   70.263  2067.70  101.509  540.920   9.5854  550.037   13.619 -9.117432 16.65371 
1 1 1   14    5   41 o  466.997   6.1257  1483.17   38.762  1512.01   54.948  1454.60   54.690  471.529   8.5992  462.466   8.7265 9.063446 12.25147 
1 1 1   14    5   42 o  276.667   5.8022  517.089   20.101  511.716   24.123  529.298   36.361  274.513   6.4845  278.822   9.6235 -4.309570 11.60431 
1 1 1   14    5   43 o  251.762   6.4645  430.457   22.055   0.0000   0.0000  430.457   22.055  ?   ?   251.762   6.4645      ?      ? 
1 1 1   14    5   44 o  213.287   4.3578  307.868   12.574  288.777   17.211  329.724   18.415  206.219   6.1588  220.354   6.1668 -14.13545 8.715523 
1 1 1   14    5   45 o  233.098   5.5448  360.113   16.138  346.165   19.199  393.693   29.790  225.759   6.2755  240.436   9.1430 -14.67705 11.08952 
1 1 1   14    5   46 o  466.722   7.5743  1500.81   45.481  1440.97   76.778  1533.16   56.451  458.929   12.346  474.515   8.7789 -15.58597 15.14861 
1 1 1   14    5   47 o  233.904   5.4282  361.460   16.235  404.186   28.775  341.510   19.663  243.619   8.7161  224.190   6.4722 19.42892 10.85636 
1 1 1   14    5   48 o  141.418   5.3108  133.355   9.6766  144.621   16.777  127.739   11.845  145.728   8.4954  137.109   6.3753 8.618607 10.62154 
1 1 1   14    5   49 o  211.280   4.4287  303.463   12.666  321.052   17.975  286.115   17.851  217.379   6.1020  205.181   6.4202 12.19830 8.857410 
1 1 1   14    5   50 o  360.804   5.2970  885.820   25.896  902.833   36.743  869.028   36.505  364.256   7.4436  357.352   7.5382 6.903870 10.59397 
1 1 1   14    5   51 o   83.956   5.3994   47.860   6.1291   43.543   8.4572   52.635   8.8951   79.970   7.8039   87.942   7.4640 -7.971634 10.79873 
1 1 1   14    5   52 o  199.203   5.3701  268.625   13.817  275.233   23.527  265.147   17.070  200.922   8.6409  197.484   6.3786 3.437576 10.74022 
1 1 1   14    5   53 o  134.087   4.5789  122.265   8.3180  126.036   11.810  118.553   11.717  136.144   6.4014  132.030   6.5489 4.114365 9.157844 
1 1 1   14    5   54 o  229.813   4.5520  358.900   14.170  348.722   19.685  369.844   20.413  226.438   6.4152  233.189   6.4596 -6.750732 9.103938 
1 1 1   14    5   55 o  116.260   4.7637   91.942   7.5021   90.562   10.433   93.420   10.796  115.362   6.6735  117.158   6.7998 -1.796394 9.527462 
1 1 1   14    5   56 f  344.723   5.2572  808.532   24.533  862.836   35.410  758.405   34.021  355.861   7.3428  333.585   7.5258 22.27631 10.51446 
1 1 1   14    5   57 o  302.510   4.9706  623.538   20.374  633.749   28.777  613.275   28.849  305.009   6.9623  300.010   7.0961 4.998505 9.941230 
1 1 1   14    5   58 o  224.300   6.4585  342.611   19.631  342.611   19.631   0.0000   0.0000  224.300   6.4585  ?   ?       ?      ? 
1 1 1   14    5   59 o  169.969   5.9759  204.492   12.511  215.447   15.095  180.456   22.359  177.855   6.2629  162.084   10.179 15.77103 11.95182 
1 1 1   14    5   60 o  193.322   4.5401  254.582   11.890  246.358   16.571  263.309   17.070  190.104   6.4324  196.540   6.4091 -6.435440 9.080285 
1 1 1   14    5   61 o  139.833   4.6701  133.542   8.8258  145.961   12.565  121.448   12.399  146.295   6.3382  133.372   6.8605 12.92310 9.340168 
1 1 1   14    5   62 o  122.101   4.8451  101.833   8.0013   93.485   11.176  110.612   11.460  116.938   7.0526  127.263   6.6453 -10.32491 9.690162 
1 1 1   14    5   63 o  115.649   6.1695   90.636   9.0763   95.986   16.050   88.121   11.005  117.837   10.051  113.462   7.1575 4.375290 12.33900 
1 1 1   14    5   64 o  117.191   4.9451   94.050   7.8477   89.306   11.009   98.951   11.190  114.165   7.1159  120.217   6.8687 -6.052292 9.890164 
1 1 1   14    5   65 o   63.840   6.7373   28.299   5.8057   25.449   8.2038   31.157   8.2173   60.542   9.9995   67.138   9.0319 -6.596169 13.47463 
1 1 1   14    5   66 o  110.047   5.0281   83.229   7.4638   93.902   10.703   73.128   10.413  116.991   6.7513  103.102   7.4531 13.88845 10.05627 
1 1 1   14    5   67 o  102.272   5.2806   72.090   7.2630   84.177   10.477   60.905   10.078  110.635   6.9880   93.910   7.9189 16.72428 10.56129 
1 1 1   14    5   68 o   57.478   8.9637   23.547   6.4852   27.307   11.326   21.713   7.9104   60.369   14.099   54.587   11.072 5.782391 17.92733 
1 1 1   14    5   69 o   74.068   6.3315   38.379   6.3401   36.592   9.1335   40.042   8.8079   72.309   9.3210   75.827   8.5716 -3.518135 12.66307 
1 1 1   14    5   70 o  159.158   4.6928  174.806   10.121  175.195   14.271  174.412   14.357  159.349   6.6086  158.968   6.6647 0.3809967 9.385695 
1 1 1   14    5   71 o   85.425   5.7975   51.197   6.6477   59.579   9.4601   43.021   9.3436   92.561   7.5420   78.290   8.8070 14.27122 11.59505 
1 1 1   14    5   72 o   42.896   8.6560   13.802   5.2758   13.679   7.2813   13.938   7.6548   42.713   12.054   43.080   12.426 -0.3671494 17.31200 
1 1 1   14    5   73 o   93.189   7.5425   60.708   9.5250   60.708   9.5250   0.0000   0.0000   93.189   7.5425  ?   ?       ?      ? 
1 1 1   14    5   74 o  103.647   5.4327   75.455   7.5970   76.263   10.312   74.495   11.235  104.434   7.2862  102.860   8.0603 1.573807 10.86544 
1 1 1   14    5   75 o  102.376   5.3109   73.735   7.3473   79.628   10.367   67.788   10.415  106.652   7.1730   98.101   7.8340 8.551025 10.62186 
1 1 1   14    5   76 o   47.851   8.4673   17.608   5.4783   16.487   7.5960   18.824   7.9084   46.242   12.013   49.459   11.936 -3.217541 16.93465 
1 1 1   14    5   77 o   58.225   9.2782   28.781   7.2362   17.354   12.047   35.231   9.0510   46.617   15.902   69.833   9.5643 -23.21540 18.55633 
1 1 1   14    5   78 o   78.942   8.1198   47.044   7.8759   46.091   13.666   47.518   9.6372   76.475   13.690   81.409   8.7357 -4.933441 16.23967 
1 1 1   14    5   79 o   51.985   8.7034   21.181   6.0343   20.168   8.3613   22.282   8.7174   50.667   12.301   53.304   12.316 -2.637203 17.40686 
1 1 1   14    5   80 o   90.227   7.2106   59.141   8.4730   63.533   14.238   56.733   10.543   91.826   11.442   88.629   8.7784 3.196724 14.42126 
1 1 1   14    5   81 o   89.163   8.9262   62.330   10.205   79.132   14.683   46.632   14.193  102.950   10.525   75.376   14.420 27.57412 17.85240 
1 1 1   14    5   82 o   72.399   8.9889   43.140   8.0113   36.101   13.340   47.111   10.019   64.748   15.424   80.050   9.2360 -15.30190 17.97783 
1 1 1   14    5   83 o   59.856   9.8433   28.751   7.5547   36.041   12.886   24.933   9.3256   64.557   15.013   55.156   12.734 9.401627 19.68668 
1 1 1   14    5   84 o   48.106   9.3055   21.511   7.4390   4.9898   12.332   30.962   9.3271   33.914   14.656   62.299   11.471 -28.38419 18.61094 
1 1 1   14    5   85 o   45.013   9.9048   19.237   7.7059   5.7178   13.377   25.951   9.4272   34.619   15.109   55.408   12.811 -20.78878 19.80957 
1 1 1   14    5   86 o   53.110   11.836   28.676   9.6339   24.832   13.845   32.285   13.414   49.053   17.034   57.167   16.438 -8.114590 23.67143 
1 1 1   14    5   87 o   38.453   15.392   13.528   12.167   13.528   12.167   0.0000   0.0000   38.453   15.392  ?   ?       ?      ? 
1 1 1   14    6    0 o  271.037   5.3191  499.117   18.738  502.016   23.431  493.974   31.211  272.150   6.3533  269.924   8.5327 2.225708 10.63820 
1 1 1   14    6    1 o  694.382   9.9696  3261.12   88.524  3238.31  108.337  3306.93  153.560  690.933   11.571  697.831   16.238 -6.897522 19.93910 
1 1 1   14    6    2 o  572.420   8.4865  2202.96   61.979  2164.89   75.494  2281.66  108.552  565.017   9.8598  579.823   13.815 -14.80585 16.97290 
1 1 1   14    6    3 o  609.392   10.418  2520.98   86.014  2517.44  122.983  2524.38  120.345  608.960   14.903  609.824   14.563 -0.8643188 20.83677 
1 1 1   14    6    4 o  668.375   16.046  3033.64  145.338  3033.64  145.338   0.0000   0.0000  668.375   16.046  ?   ?       ?      ? 
1 1 1   14    6    5 o  344.721   10.374  805.931   48.461  805.931   48.461   0.0000   0.0000  344.721   10.374  ?   ?       ?      ? 
1 1 1   14    6    6 o  1392.24   31.070 13246.62  586.190 13246.62  586.190   0.0000   0.0000  1392.24   31.070  ?   ?       ?      ? 
1 1 1   14    6    7 o  851.726   13.947  4932.32  160.968  4985.67  228.778  4880.01  226.524  856.288   19.716  847.164   19.732 9.124268 27.89350 
1 1 1   14    6    8 o  626.642   10.790  2666.19   91.617  2647.67  128.640  2685.25  130.512  624.439   15.202  628.845   15.315 -4.406006 21.57916 
1 1 1   14    6    9 o  303.872   6.9989  626.343   28.805  652.722   40.868  600.300   40.607  310.236   9.7209  297.508   10.072 12.72855 13.99789 
1 1 1   14    6   10 o  690.590   11.656  3239.40  109.075  3298.96  155.447  3181.64  153.091  696.844   16.461  684.335   16.508 12.50885 23.31295 
1 1 1   14    6   11 o   99.478   7.8236   70.088   10.062   88.769   13.744   48.509   14.772  114.414   8.8647   84.542   12.894 29.87263 15.64715 
1 1 1   14    6   12 o  760.225   12.634  3927.97  130.138  4006.78  185.809  3852.10  182.325  767.708   17.860  752.742   17.874 14.96631 25.26784 
1 1 1   14    6   13 o  371.373   7.6035  935.263   38.254  919.994   53.314  951.468   54.921  368.253   10.683  374.493   10.822 -6.240021 15.20708 
1 1 1   14    6   14 o  580.261   10.161  2286.72   79.895  2304.88  113.080  2268.62  112.896  582.566   14.324  577.956   14.415 4.609741 20.32124 
1 1 1   14    6   15 o  462.418   8.6551  1451.45   54.233  1456.91   76.380  1445.90   77.019  463.300   12.166  461.536   12.314 1.763763 17.31027 
1 1 1   14    6   16 o  222.110   6.3923  334.982   19.216  351.018   27.021  318.574   27.334  227.501   8.7648  216.719   9.3072 10.78156 12.78457 
1 1 1   14    6   17 o  357.043   7.4537  865.088   36.058  870.615   50.629  859.399   51.367  358.206   10.430  355.880   10.651 2.325439 14.90737 
1 1 1   14    6   18 o  508.722   6.4297  1755.48   44.325  1768.63   62.747  1742.39   62.622  510.625   9.0680  506.819   9.1178 3.805817 12.85933 
1 1 1   14    6   19 o  334.254   5.8523  730.422   25.011  839.244   44.573  680.413   30.216  351.726   9.3517  316.782   7.0387 34.94388 11.70459 
1 1 1   14    6   20 o  285.739   5.5735  565.744   20.630  598.951   26.079  510.220   33.722  297.227   6.4747  274.250   9.0738 22.97757 11.14697 
1 1 1   14    6   21 o  808.482   9.3548  4439.63  102.479  4516.31  146.219  4365.60  143.671  815.342   13.234  801.623   13.226 13.71826 18.70953 
1 1 1   14    6   22 o  432.088   5.7393  1266.31   33.603  1262.39   47.208  1270.33   47.843  431.412   8.0750  432.763   8.1580 -1.351349 11.47860 
1 1 1   14    6   23 o  574.147   9.9886  2237.38   77.716   0.0000   0.0000  2237.38   77.716  ?   ?   574.147   9.9886      ?      ? 
1 1 1   14    6   24 o  285.917   4.6157  553.577   17.871  534.033   24.710  575.010   25.877  280.634   6.4976  291.199   6.5576 -10.56552 9.231484 
1 1 1   14    6   25 o  419.258   5.6411  1192.15   32.043  1176.10   44.763  1209.01   45.890  416.369   7.9334  422.147   8.0218 -5.778259 11.28224 
1 1 1   14    6   26 o  845.663   12.037  4913.85  130.400  4997.03  160.895  4754.63  222.606  857.043   13.853  834.283   19.690 22.75940 24.07496 
1 1 1   14    6   27 f  340.636   7.1418  787.488   32.887  780.578   44.880  795.502   48.330  339.048   9.7682  342.223   10.421 -3.174744 14.28363 
1 1 1   14    6   28 o  586.730   8.7137  2289.77   64.701  2484.07  116.307  2202.69   77.861  604.002   14.210  569.458   10.090 34.54413 17.42746 
1 1 1   14    6   29 o  313.300   4.8479  664.370   20.543  725.161   29.778  609.167   28.377  326.951   6.7210  299.649   6.9882 27.30200 9.695711 
1 1 1   14    6   30 o  384.047   5.3859  996.497   27.966  930.910   38.041  1073.63   41.253  370.361   7.5796  397.733   7.6539 -27.37137 10.77181 
1 1 1   14    6   31 o  402.881   5.5254  1101.51   30.159  1088.48   42.109  1115.23   43.216  400.441   7.7598  405.322   7.8679 -4.880981 11.05070 
1 1 1   14    6   32 o  215.591   8.6170  315.689   25.175  315.689   25.175   0.0000   0.0000  215.591   8.6170  ?   ?       ?      ? 
1 1 1   14    6   33 o  208.372   4.2547  294.793   12.004  304.783   16.856  284.512   17.100  211.963   5.8683  204.781   6.1621 7.182510 8.509331 
1 1 1   14    6   34 o  398.720   5.5135  1077.79   29.763  1037.58   41.033  1122.44   43.237  390.891   7.7462  406.549   7.8480 -15.65814 11.02705 
1 1 1   14    6   35 o  426.738   7.0009  1248.73   38.360  1271.15   47.455  1206.45   65.162  432.581   8.0952  420.895   11.424 11.68506 14.00181 
1 1 1   14    6   36 o  106.491   5.3743   79.551   7.2763   85.181   9.0511   69.265   12.234  112.041   5.9613  100.941   8.9440 11.10037 10.74860 
1 1 1   14    6   37 o  145.178   4.3038  143.179   8.4498  145.425   11.637  140.675   12.289  146.392   5.8661  143.965   6.2990 2.427338 8.607501 
1 1 1   14    6   38 o  151.540   4.2494  155.333   8.7115  144.637   11.942  167.499   12.736  145.982   6.0366  157.098   5.9825 -11.11658 8.498881 
1 1 1   14    6   39 o  427.943   5.7793  1244.78   33.511  1272.83   47.619  1217.27   47.169  432.726   8.1205  423.159   8.2256 9.567535 11.55869 
1 1 1   14    6   40 o  589.829   7.2628  2368.55   58.029  2319.94   80.702  2420.57   83.499  583.589   10.205  596.070   10.337 -12.48126 14.52551 
1 1 1   14    6   41 o  261.055   5.7868  467.829   18.959  475.358   22.947  451.636   33.654  264.578   6.4000  257.532   9.6431 7.046478 11.57366 
1 1 1   14    6   42 o  305.520   5.8935  611.728   22.885  701.424   41.254  571.855   27.506  320.928   9.4859  290.111   6.9964 30.81735 11.78693 
1 1 1   14    6   43 o  277.589   5.8491  522.854   20.404  520.554   24.593  527.934   36.546  276.822   6.5559  278.357   9.6885 -1.534607 11.69817 
1 1 1   14    6   44 o  298.801   6.0524  612.905   22.792  622.153   27.678  593.425   40.171  302.590   6.7499  295.012   10.048 7.577728 12.10485 
1 1 1   14    6   45 o  149.155   4.2925  151.066   8.6665  150.309   11.962  151.901   12.573  148.770   5.9336  149.540   6.2043 -0.7698517 8.584946 
1 1 1   14    6   46 o  197.467   6.2179  264.906   16.639   0.0000   0.0000  264.906   16.639  ?   ?   197.467   6.2179      ?      ? 
1 1 1   14    6   47 f  287.125   4.7677  560.203   18.534  594.106   26.490  527.696   25.940  295.649   6.6120  278.600   6.8707 17.04837 9.535465 
1 1 1   14    6   48 o  224.732   6.3759  343.243   19.417   0.0000   0.0000  343.243   19.417  ?   ?   224.732   6.3759      ?      ? 
1 1 1   14    6   49 o  168.251   6.2683  192.396   14.292   0.0000   0.0000  192.396   14.292  ?   ?   168.251   6.2683      ?      ? 
1 1 1   14    6   50 o  219.719   4.5137  327.298   13.421  308.910   18.432  348.048   19.581  213.168   6.3808  226.269   6.3859 -13.10060 9.027386 
1 1 1   14    6   51 o  131.968   4.5759  117.913   8.1651  108.682   11.153  128.576   11.986  126.423   6.5100  137.513   6.4323 -11.09019 9.151760 
1 1 1   14    6   52 o  163.967   4.4518  182.503   9.8836  174.492   13.659  191.310   14.320  160.197   6.2917  167.738   6.2999 -7.541916 8.903576 
1 1 1   14    6   53 o  188.038   4.4805  240.706   11.381  265.282   16.219  216.869   15.974  197.533   6.0592  178.544   6.6020 18.98848 8.961018 
1 1 1   14    6   54 o  200.678   4.5089  273.619   12.254  264.105   16.965  283.996   17.718  197.038   6.3536  204.317   6.3993 -7.279114 9.017734 
1 1 1   14    6   55 o  174.102   5.3931  205.929   12.051  204.435   14.807  208.859   20.741  173.338   6.3036  174.865   8.7526 -1.527374 10.78625 
1 1 1   14    6   56 o   65.016   6.5684   28.841   5.7771   27.588   7.8902   30.290   8.4820   63.506   9.1684   66.527   9.4084 -3.020882 13.13687 
1 1 1   14    6   57 o  167.941   4.5142  192.183   10.267  197.255   14.404  186.944   14.638  170.213   6.2448  165.669   6.5203 4.544250 9.028353 
1 1 1   14    6   58 o  255.076   4.7247  443.621   16.328  452.089   23.015  435.039   23.168  257.548   6.5942  252.605   6.7681 4.942932 9.449356 
1 1 1   14    6   59 o  127.976   6.0980  114.185   9.6849  117.348   11.663  107.155   17.384  131.180   6.5606  124.772   10.281 6.407280 12.19599 
1 1 1   14    6   60 o  215.286   5.7382  318.641   15.591  320.757   18.923  314.167   27.514  216.833   6.4399  213.739   9.4993 3.094391 11.47643 
1 1 1   14    6   61 o  166.678   4.5653  189.707   10.305  198.351   14.629  181.193   14.519  170.471   6.3324  162.884   6.5777 7.586945 9.130502 
1 1 1   14    6   62 o   94.635   5.4405   61.407   6.9764   61.157   9.7902   61.666   9.9438   94.445   7.6494   94.824   7.7384 -0.3791199 10.88102 
1 1 1   14    6   63 o  145.295   4.7190  144.485   9.2909  142.876   13.160  146.084   13.119  144.478   6.7214  146.113   6.6257 -1.634216 9.438084 
1 1 1   14    6   64 o  108.036   6.3390   79.149   8.6806   85.024   15.499   76.464   10.478  110.548   10.346  105.524   7.3273 5.023468 12.67800 
1 1 1   14    6   65 o  132.071   6.8186  119.715   12.204   0.0000   0.0000  119.715   12.204  ?   ?   132.071   6.8186      ?      ? 
1 1 1   14    6   66 o  140.950   5.6542  131.029   10.229  156.838   18.192  119.098   12.369  150.297   8.9317  131.603   6.9356 18.69461 11.30834 
1 1 1   14    6   67 o  125.791   4.8967  109.007   8.3435  105.298   11.793  112.723   11.806  123.614   7.0397  127.968   6.8083 -4.353424 9.793398 
1 1 1   14    6   68 o  188.542   4.6403  244.768   11.855  240.281   16.650  249.381   16.883  186.783   6.5779  190.301   6.5467 -3.518585 9.280526 
1 1 1   14    6   69 o  125.846   4.9048  109.463   8.3639  110.837   11.922  108.131   11.737  126.619   6.9479  125.072   6.9251 1.547081 9.809665 
1 1 1   14    6   70 o   82.234   5.9388   47.297   6.6156   46.498   9.2071   48.150   9.5122   81.537   8.3327   82.931   8.4641 -1.394135 11.87751 
1 1 1   14    6   71 o   71.496   7.3639   35.255   6.8767   31.957   8.4991   41.507   11.702   67.197   9.3333   75.796   11.393 -8.598473 14.72781 
1 1 1   14    6   72 o  125.570   4.9720  109.314   8.4181   95.001   11.539  125.599   12.308  116.690   7.2970  134.450   6.7556 -17.75948 9.944038 
1 1 1   14    6   73 o   73.448   6.3076   38.418   6.2474   42.461   8.8160   34.339   8.8545   77.536   8.3905   69.360   9.4205 8.175995 12.61528 
1 1 1   14    6   74 o   83.363   7.5253   46.692   7.8096   41.362   9.1686   60.781   14.907   76.221   8.8765   90.505   12.154 -14.28383 15.05055 
1 1 1   14    6   75 o  100.146   7.0546   74.599   8.7789   78.421   10.700   66.729   15.356  105.582   7.4784   94.711   11.964 10.87071 14.10928 
1 1 1   14    6   76 o   49.868   8.4990   19.614   5.8116   13.653   8.4253   25.024   8.0268   42.002   13.247   57.735   10.652 -15.73357 16.99801 
1 1 1   14    6   77 o   46.230   8.6879   16.594   5.7474   22.653   8.2483   10.875   8.0129   54.298   11.564   38.161   12.969 16.13718 17.37589 
1 1 1   14    6   78 o   56.897   7.9071   24.966   6.1584   9.7170   8.4078   42.617   9.0458   36.769   13.228   77.025   8.6663 -40.25580 15.81411 
1 1 1   14    6   79 o   41.331   13.262   13.481   8.4168   0.0000   0.0000   13.481   8.4168  ?   ?    41.331   13.262      ?      ? 
1 1 1   14    6   80 o   72.829   8.7265   42.652   7.8705   36.265   12.943   46.399   9.9139   65.915   14.847   79.743   9.1742 -13.82754 17.45295 
1 1 1   14    6   81 o   43.599   9.5107   16.179   6.9516   5.3549   11.361   22.656   8.7887   34.152   14.388   53.047   12.441 -18.89501 19.02132 
1 1 1   14    6   82 o   25.735   8.2032  -2.6965   6.3355 -11.8514   10.551   2.4651   7.9226   23.382   11.258   28.089   11.934 -4.707682 16.40648 
1 1 1   14    6   83 o   64.289   11.046   37.331   9.7071   28.659   13.645   46.216   13.812   55.040   16.776   73.538   14.376 -18.49791 22.09261 
1 1 1   14    6   84 o   56.619   10.779   29.770   9.3997   15.023   13.231   44.798   13.356   41.347   16.210   71.892   14.213 -30.54430 21.55883 
1 1 1   14    6   85 o   39.051   10.354   10.209   8.5582   24.464   12.352  -2.9512   11.869   49.925   16.071   28.176   13.059 21.74935 20.70765 
1 1 1   14    6   86 o   48.827   11.336   24.246   8.9949   30.969   12.743   17.569   12.699   55.650   16.027   42.005   16.035 13.64439 22.67126 
1 1 1   14    7    0 o  948.331   10.785  6106.76  138.600  6135.56  196.503  6078.25  195.521  950.555   15.255  946.106   15.250 4.449158 21.57024 
1 1 1   14    7    1 o  534.615   6.7000  1937.53   48.530  1902.32   67.816  1974.48   69.478  529.641   9.4487  539.590   9.5017 -9.949646 13.40000 
1 1 1   14    7    2 o  600.203   7.2963  2443.03   59.339  2417.86   83.213  2469.07   84.641  597.060   10.285  603.346   10.352 -6.286072 14.59252 
1 1 1   14    7    3 o  479.053   6.1765  1556.11   40.096  1570.73   56.800  1541.58   56.608  481.298   8.7086  476.808   8.7610 4.490021 12.35296 
1 1 1   14    7    4 o  683.033   8.1151  3161.10   75.064  3290.06  108.534  3042.84  103.928  696.368   11.501  669.698   11.452 26.67004 16.23018 
1 1 1   14    7    5 o  477.240   6.1556  1543.85   39.802  1584.33   56.874  1505.00   55.721  483.369   8.6827  471.111   8.7279 12.25830 12.31118 
1 1 1   14    7    6 o  610.017   10.598  2527.11   87.604  2513.59  123.007  2541.02  124.795  608.368   14.920  611.665   15.056 -3.296936 21.19645 
1 1 1   14    7    7 o  480.296   8.9365  1565.64   58.159  1560.31   81.620  1571.14   82.894  479.470   12.562  481.122   12.714 -1.652161 17.87304 
1 1 1   14    7    8 o  918.393   14.946  5742.27  185.997  5688.81  260.901  5797.51  265.231  914.063   21.063  922.722   21.211 -8.659424 29.89262 
1 1 1   14    7    9 o  187.265   6.5436  237.656   16.593  233.416   22.941  242.308   24.028  185.517   9.1253  189.013   9.3809 -3.495789 13.08712 
1 1 1   14    7   10 o  822.956   13.564  4608.53  151.268  4643.96  214.423  4573.43  213.430  826.110   19.154  819.802   19.212 6.307373 27.12836 
1 1 1   14    7   11 o  833.868   13.722  4731.18  155.028  4832.54  221.693  4634.19  216.870  842.603   19.415  825.133   19.395 17.46936 27.44325 
1 1 1   14    7   12 o  275.069   6.8390  513.000   25.466  546.143   36.455  481.411   35.590  283.747   9.4808  266.389   9.8590 17.35803 13.67790 
1 1 1   14    7   13 o  729.604   12.242  3620.19  121.018  3577.12  169.428  3665.04  172.914  725.186   17.241  734.021   17.384 -8.834961 24.48325 
1 1 1   14    7   14 o  400.337   8.0011  1087.89   43.404  1098.05   61.224  1077.62   61.541  402.222   11.232  398.452   11.397 3.769989 16.00213 
1 1 1   14    7   15 o  397.934   7.9661  1074.83   42.954  1092.11   60.858  1057.67   60.636  401.127   11.196  394.741   11.335 6.385529 15.93218 
1 1 1   14    7   16 o  584.679   10.269  2320.41   81.311  2421.03  117.314  2227.39  112.802  596.865   14.504  572.494   14.540 24.37122 20.53730 
1 1 1   14    7   17 o  536.867   8.3518  1978.61   57.223  2023.42   70.431  1891.60   98.150  546.104   9.5172  527.631   13.727 18.47192 16.70357 
1 1 1   14    7   18 o  558.082   8.5551  2116.00   60.535  2117.55   73.622  2112.75  106.363  558.624   9.7253  557.541   14.078 1.083740 17.11029 
1 1 1   14    7   19 o  312.209   5.7892  667.578   20.453  672.903   23.281  649.564   42.819  315.060   5.4529  309.358   10.214 5.701843 11.57840 
1 1 1   14    7   20 o  193.781   5.3748  249.671   12.711  243.420   14.920  266.220   24.276  189.485   5.8106  198.077   9.0439 -8.592361 10.74964 
1 1 1   14    7   21 o  248.896   5.2113  422.111   16.909  412.979   27.888  427.419   21.262  246.722   8.3412  251.069   6.2493 -4.347305 10.42254 
1 1 1   14    7   22 o  391.640   6.4659  996.682   32.063  1164.50   58.448  924.441   38.348  414.123   10.415  369.157   7.6656 44.96555 12.93184 
1 1 1   14    7   23 o   81.960   5.2513   46.748   5.6773   38.676   8.5843   53.023   7.5691   75.496   8.3907   88.424   6.3166 -12.92842 10.50256 
1 1 1   14    7   24 o  529.627   9.2924  1893.12   66.430  2098.73   99.269  1726.37   89.398  555.459   13.188  503.795   13.095 51.66492 18.58471 
1 1 1   14    7   25 o  196.147   5.0203  266.463   12.720  280.705   16.001  242.009   20.967  203.457   5.8036  188.837   8.1935 14.61946 10.04065 
1 1 1   14    7   26 f  478.959   6.1985  1555.10   40.200  1636.72   58.095  1480.11   55.685  491.004   8.7311  466.914   8.8008 24.08942 12.39700 
1 1 1   14    7   27 o  192.692   5.4216  252.797   12.846  253.921   15.263  250.067   23.789  193.495   5.8208  191.889   9.1483 1.605576 10.84311 
1 1 1   14    7   28 o  161.575   4.1571  177.667   9.0639  195.118   12.760  159.895   12.877  169.619   5.5515  153.531   6.1891 16.08821 8.314099 
1 1 1   14    7   29 o  408.329   5.5796  1132.03   30.871  1149.33   43.631  1114.68   43.687  411.461   7.8249  405.197   7.9561 6.263885 11.15927 
1 1 1   14    7   30 o  162.400   4.2051  179.591   9.1781  208.247   13.080  151.797   12.882  175.224   5.5085  149.576   6.3552 25.64786 8.410249 
1 1 1   14    7   31 o  490.467   12.497  1638.97   83.063   0.0000   0.0000  1638.97   83.063  ?   ?   490.467   12.497      ?      ? 
1 1 1   14    7   32 o  121.335   5.1005  100.376   8.0035  101.403   9.9590   98.504   13.449  122.251   6.0115  120.419   8.2415 1.831932 10.20103 
1 1 1   14    7   33 o  328.473   6.1043  726.097   25.625  754.538   44.758  712.229   31.255  333.056   9.9167  323.889   7.1209 9.167084 12.20856 
1 1 1   14    7   34 f  486.632   6.2866  1608.79   41.441  1671.22   59.415  1549.65   57.829  495.828   8.8427  477.436   8.9382 18.39224 12.57317 
1 1 1   14    7   35 o  209.103   4.3217  296.410   12.235  289.086   16.884  304.510   17.756  206.390   6.0367  211.816   6.1859 -5.426132 8.643343 
1 1 1   14    7   36 o  265.225   4.5988  477.710   16.516  501.346   23.430  454.364   23.285  271.759   6.3621  258.691   6.6422 13.06863 9.197553 
1 1 1   14    7   37 o  326.042   7.1717  723.984   31.665  726.281   44.009  721.518   45.595  326.610   9.9432  325.474   10.337 1.136108 14.34335 
1 1 1   14    7   38 o  284.624   5.7742  547.690   21.066  560.288   36.438  541.366   25.818  286.914   9.3716  282.333   6.7481 4.581085 11.54834 
1 1 1   14    7   39 o  201.516   4.3295  275.373   11.815  266.755   16.342  284.810   17.101  198.220   6.0838  204.813   6.1615 -6.593140 8.658924 
1 1 1   14    7   40 o  248.722   4.5297  420.305   15.261  429.691   21.451  410.685   21.717  251.545   6.2929  245.899   6.5171 5.646103 9.059418 
1 1 1   14    7   41 o  257.406   4.5807  450.206   15.969  468.772   22.612  431.732   22.555  262.715   6.3515  252.098   6.6023 10.61705 9.161469 
1 1 1   14    7   42 o  300.672   4.8369  614.396   19.704  617.869   27.633  610.803   28.105  301.547   6.7622  299.798   6.9178 1.748932 9.673817 
1 1 1   14    7   43 o  345.013   5.1464  809.220   24.052  840.096   34.229  779.103   33.805  351.528   7.1855  338.497   7.3696 13.03082 10.29283 
1 1 1   14    7   44 o  120.534   5.9752  101.852   8.6773  105.637   10.269   92.403   16.226  124.706   6.0766  116.362   10.290 8.344498 11.95035 
1 1 1   14    7   45 o  224.184   6.4179  344.224   19.399  371.590   26.912  314.625   27.989  233.585   8.5021  214.783   9.6163 18.80176 12.83581 
1 1 1   14    7   46 o  144.752   5.6317  151.038   10.351  113.147   16.531  175.473   13.275  128.797   9.4713  160.706   6.0957 -31.90887 11.26337 
1 1 1   14    7   47 o  175.441   4.4084  209.628   10.453  226.150   14.728  192.862   14.836  182.444   5.9572  168.438   6.4998 14.00529 8.816826 
1 1 1   14    7   48 o  211.315   4.5003  303.910   12.849  332.971   18.271  275.472   18.074  221.351   6.0911  201.279   6.6263 20.07172 9.000510 
1 1 1   14    7   49 o  163.778   5.4319  173.952   11.407  209.410   20.361  157.731   13.771  175.265   8.5728  152.292   6.6730 22.97295 10.86379 
1 1 1   14    7   50 o  258.311   5.6792  431.839   18.582  518.778   34.001  394.814   22.189  275.714   9.1003  240.908   6.7967 34.80624 11.35830 
1 1 1   14    7   51 o   97.097   6.1399   65.470   7.6577   68.186   9.5419   60.555   12.835  100.091   7.0349   94.104   10.065 5.987122 12.27985 
1 1 1   14    7   52 o  189.716   5.4482  249.723   13.250  259.946   16.471  230.977   22.305  195.506   6.2168  183.926   8.9488 11.57979 10.89634 
1 1 1   14    7   53 o  176.619   4.5161  212.336   10.804  216.836   15.167  207.701   15.394  178.533   6.2691  174.705   6.5022 3.827637 9.032241 
1 1 1   14    7   54 o  257.830   4.7261  451.846   16.499  430.370   22.802  475.445   23.902  251.409   6.6928  264.251   6.6748 -12.84119 9.452269 
1 1 1   14    7   55 o   78.008   5.9491   41.751   6.2274   34.752   8.7296   49.004   8.8861   71.273   9.0383   84.743   7.7380 -13.47012 11.89820 
1 1 1   14    7   56 o   72.106   6.2500   35.538   6.0934   32.351   8.4629   38.968   8.7806   68.733   9.0860   75.478   8.5846 -6.745079 12.50002 
1 1 1   14    7   57 o  116.680   4.9913   92.960   7.8640   83.067   11.007  103.275   11.239  110.299   7.3641  123.062   6.7394 -12.76331 9.982508 
1 1 1   14    7   58 o  129.423   4.8139  114.208   8.4358  107.805   11.749  121.021   12.119  125.670   6.8991  133.177   6.7154 -7.506294 9.627817 
1 1 1   14    7   59 o  200.869   4.5825  275.269   12.472  269.257   17.448  281.549   17.833  198.627   6.4824  203.111   6.4789 -4.484024 9.164987 
1 1 1   14    7   60 o  115.133   6.3309   92.111   9.1258   93.683   11.035   88.709   16.231  117.047   6.9573  113.220   10.579 3.826675 12.66179 
1 1 1   14    7   61 o  213.090   5.8280  310.709   15.649  308.359   18.903  315.828   27.900  212.365   6.5685  213.816   9.6289 -1.450775 11.65596 
1 1 1   14    7   62 o  103.152   6.5521   75.517   8.4782   68.018   14.733   79.229   10.367   98.803   11.004  107.500   7.1162 -8.696907 13.10420 
1 1 1   14    7   63 o  194.515   5.7030  261.034   14.147  259.625   24.511  261.739   17.324  193.568   9.3444  195.461   6.5405 -1.893661 11.40595 
1 1 1   14    7   64 o   89.226   5.8067   55.746   6.8325   40.927   9.5875   71.040   9.7396   76.786   9.2138  101.665   7.0694 -24.87945 11.61343 
1 1 1   14    7   65 o  192.549   5.7270  257.677   14.043  252.808   24.300  260.118   17.207  190.484   9.4139  194.615   6.5247 -4.131439 11.45391 
1 1 1   14    7   66 o   35.541   8.6748   7.3903   6.0197  -6.3139   10.497   14.105   7.3478   27.284   12.514   43.797   12.017 -16.51309 17.34951 
1 1 1   14    7   67 o  188.124   4.7062  243.327   11.974  222.831   16.521  266.005   17.378  179.739   6.7828  196.510   6.5258 -16.77132 9.412343 
1 1 1   14    7   68 o   54.470   9.4055   21.417   6.5858   19.184   8.0491   25.939   11.455   50.744   11.910   58.196   14.561 -7.451572 18.81107 
1 1 1   14    7   69 o  100.833   5.3840   70.661   7.3498   66.827   10.167   74.857   10.637   97.957   7.6592  103.709   7.5687 -5.751419 10.76793 
1 1 1   14    7   70 o  112.270   5.1483   87.843   7.8245   91.466   10.999   84.130   11.134  114.700   7.0761  109.840   7.4799 4.859657 10.29662 
1 1 1   14    7   71 o   81.258   5.9358   46.571   6.5282   47.867   9.1014   45.198   9.3688   82.517   8.1393   79.998   8.6421 2.518196 11.87153 
1 1 1   14    7   72 o   27.873   8.0113   1.5707   5.1068   6.8082   7.0946  -4.0610   7.3567   32.804   12.098   22.941   10.505 9.862135 16.02262 
1 1 1   14    7   73 f   83.251   5.9343   49.406   6.6491   53.649   9.1918   44.748   9.6300   87.284   7.7712   79.218   8.9706 8.065605 11.86853 
1 1 1   14    7   74 o   57.555   7.8837   25.053   5.9171   25.947   8.1708   24.066   8.5804   58.920   10.624   56.191   11.651 2.729034 15.76744 
1 1 1   14    7   75 o   55.388   9.7291   24.583   6.9138   25.048   8.2980   23.525   12.503   57.548   11.042   53.228   16.022 4.319672 19.45826 
1 1 1   14    7   76 o   38.000   9.8970   8.4925   7.5458   17.175   10.242  -1.8166   11.160   46.209   14.608   29.791   13.357 16.41838 19.79403 
1 1 1   14    7   77 o  141.099   6.1803  143.615   11.244  141.598   18.920  144.716   13.981  139.020   10.043  143.179   7.2056 -4.158875 12.36057 
1 1 1   14    7   78 o   61.745   9.1493   33.835   7.5334   16.392   12.136   44.771   9.6090   44.899   15.920   78.591   9.0224 -33.69186 18.29868 
1 1 1   14    7   79 o   48.938   10.244   19.599   7.0496   21.641   11.908   18.496   8.7473   50.163   15.737   47.714   13.120 2.449581 20.48879 
1 1 1   14    7   80 o   64.607   10.747   31.533   9.4091   0.0000   0.0000   31.533   9.4091  ?   ?    64.607   10.747      ?      ? 
1 1 1   14    7   81 o   54.752   10.364   25.583   8.7394   11.621   12.059   41.026   12.683   39.267   15.450   70.236   13.818 -30.96954 20.72750 
1 1 1   14    7   82 o   37.744   9.7203   7.7329   7.8923  -7.3909   11.369   21.800   10.965   26.122   12.323   49.366   15.036 -23.24385 19.44070 
1 1 1   14    7   83 o   43.803   11.305   17.706   8.7521   15.831   12.297   19.632   12.459   41.992   15.839   45.613   16.135 -3.621006 22.61054 
1 1 1   14    7   84 o   57.889   11.416   32.603   9.3986   27.674   13.207   37.660   13.378   52.559   16.586   63.218   15.690 -10.65876 22.83105 
1 1 1   14    7   85 o   30.286   9.4331  -0.1013   8.1312   11.407   11.650 -11.0333   11.354   36.729   14.933   23.843   11.529 12.88596 18.86621 
1 1 1   14    8    0 o  403.454   6.9355  1096.55   35.345  1125.01   62.972  1083.46   42.706  407.171   11.413  399.737   7.8837 7.433716 13.87091 
1 1 1   14    8    1 o  363.822   5.2356  896.822   25.804  871.527   35.937  923.743   37.074  358.530   7.3967  369.114   7.4119 -10.58365 10.47128 
1 1 1   14    8    2 o  208.306   6.0943  294.134   17.203   0.0000   0.0000  294.134   17.203  ?   ?   208.306   6.0943      ?      ? 
1 1 1   14    8    3 o  196.359   4.2477  261.414   11.301  264.876   15.894  257.875   16.070  197.676   5.9334  195.043   6.0800 2.632126 8.495421 
1 1 1   14    8    4 o  237.218   4.4131  381.080   14.179  368.309   19.684  394.853   20.442  233.091   6.2318  241.344   6.2503 -8.253204 8.826234 
1 1 1   14    8    5 o  253.148   4.4918  433.796   15.379  473.722   22.182  396.844   21.340  264.351   6.1921  241.946   6.5086 22.40500 8.983549 
1 1 1   14    8    6 o  218.404   6.1523  323.359   18.209   0.0000   0.0000  323.359   18.209  ?   ?   218.404   6.1523      ?      ? 
1 1 1   14    8    7 o  393.168   6.8895  1066.15   34.334  1100.23   42.093  998.396   59.350  402.805   7.7113  383.531   11.419 19.27368 13.77909 
1 1 1   14    8    8 o  718.847   9.8814  3523.49   82.847  3536.16   95.476  3484.90  166.684  721.955   9.7589  715.738   17.185 6.216858 19.76284 
1 1 1   14    8    9 o  235.692   5.3533  367.909   13.736  362.141   15.322  391.533   31.005  231.148   4.8914  240.236   9.5240 -9.087204 10.70664 
1 1 1   14    8   10 o  607.377   8.6403  2519.16   61.054  2532.98   70.307  2476.79  123.122  611.111   8.4897  603.642   15.051 7.468628 17.28057 
1 1 1   14    8   11 o  478.105   7.7203  1566.10   46.920  1594.78   57.461  1508.71   81.280  484.882   8.7449  471.328   12.726 13.55392 15.44069 
1 1 1   14    8   12 o  409.102   6.9892  1133.46   35.991  1129.75   43.448  1141.58   64.249  408.145   7.8555  410.058   11.562 -1.913147 13.97831 
1 1 1   14    8   13 o  257.143   5.8226  452.875   18.576  459.582   22.272  437.543   33.674  260.358   6.3124  253.929   9.7858 6.429443 11.64512 
1 1 1   14    8   14 o  684.523   11.544  3188.82  107.069  3257.64  151.541  3120.24  151.296  691.926   16.162  677.119   16.488 14.80725 23.08835 
1 1 1   14    8   15 o  398.210   7.8011  1076.40   41.976  1073.54   57.204  1079.75   61.788  397.666   10.615  398.754   11.434 -1.088226 15.60216 
1 1 1   14    8   16 f  347.009   6.3438  812.055   27.137  805.106   32.194  829.112   50.437  344.561   6.8950  349.456   10.651 -4.894989 12.68766 
1 1 1   14    8   17 o  165.710   5.1037  175.868   8.9556  170.051   9.8634  203.178   21.372  158.390   4.5953  173.031   9.1144 -14.64153 10.20735 
1 1 1   14    8   18 o  211.147   5.2137  300.253   12.000  298.797   13.426  306.038   26.757  209.950   4.7189  212.344   9.2986 -2.394211 10.42744 
1 1 1   14    8   19 o  176.382   5.2339  210.363   9.8192  209.950   10.907  212.130   22.556  175.989   4.5733  176.775   9.4160 -0.7859344 10.46788 
1 1 1   14    8   20 o  358.972   6.1498  868.523   25.030  863.565   28.416  885.687   52.872  356.866   5.8759  361.079   10.805 -4.212982 12.29970 
1 1 1   14    8   21 o  451.851   6.9689  1349.94   35.685  1320.99   40.355  1453.77   76.418  441.307   6.7479  462.394   12.195 -21.08688 13.93787 
1 1 1   14    8   22 o  225.538   5.3442  350.722   13.355  354.945   15.094  335.492   28.661  228.811   4.8678  222.267   9.5156 6.543808 10.68845 
1 1 1   14    8   23 o  389.463   6.8095  1017.34   33.099  997.711   39.530  1063.40   60.540  383.435   7.6077  395.490   11.296 -12.05481 13.61896 
1 1 1   14    8   24 o  128.412   4.1758  111.448   7.2527  102.961   9.9469  121.081   10.598  123.209   5.9575  133.614   5.8530 -10.40517 8.351557 
1 1 1   14    8   25 o  189.669   4.2558  244.605   10.912  256.652   15.171  231.694   15.705  194.527   5.7551  184.810   6.2710 9.717133 8.511545 
1 1 1   14    8   26 o  111.943   5.9124   85.001   8.9689   85.001   8.9689   0.0000   0.0000  111.943   5.9124  ?   ?       ?      ? 
1 1 1   14    8   27 o  304.624   6.7549  629.717   27.885  629.717   27.885   0.0000   0.0000  304.624   6.7549  ?   ?       ?      ? 
1 1 1   14    8   28 o  265.463   6.2058  478.614   22.317  497.012   31.868  460.909   31.262  270.474   8.6944  260.452   8.8574 10.02182 12.41154 
1 1 1   14    8   29 o  429.119   6.9976  1256.25   38.571  1264.93   47.594  1239.65   65.834  431.539   8.1387  426.699   11.385 4.839264 13.99520 
1 1 1   14    8   30 o  170.779   4.2322  196.962   9.7712  181.635   13.315  214.849   14.384  163.612   6.0055  177.945   5.9649 -14.33357 8.464352 
1 1 1   14    8   31 o  181.028   4.2175  221.514   10.326  206.819   14.104  238.490   15.159  174.582   5.9617  187.473   5.9670 -12.89134 8.434928 
1 1 1   14    8   32 f  306.468   6.1530  634.824   23.418  629.410   27.934  647.625   42.955  304.480   6.7700  308.456   10.276 -3.975311 12.30592 
1 1 1   14    8   33 o  200.524   6.4276  273.166   17.400  270.014   23.545  276.959   25.830  199.281   8.7185  201.767   9.4469 -2.485703 12.85521 
1 1 1   14    8   34 o  330.627   6.1741  735.557   26.052  766.526   45.656  720.606   31.724  335.539   10.041  325.714   7.1873 9.824615 12.34822 
1 1 1   14    8   35 o  141.893   4.3249  136.822   8.3060  140.711   11.576  132.695   11.925  143.981   5.9327  139.804   6.2945 4.176865 8.649755 
1 1 1   14    8   36 o  310.370   4.8809  654.484   20.522  672.518   29.000  636.392   29.046  314.665   6.8009  306.074   7.0030 8.590424 9.761856 
1 1 1   14    8   37 o  150.250   4.3150  153.005   8.7775  146.920   12.100  159.765   12.752  147.104   6.0699  153.396   6.1346 -6.292526 8.630026 
1 1 1   14    8   38 o  368.507   5.3216  923.225   26.571  931.921   37.396  914.359   37.762  370.271   7.4529  366.742   7.5982 3.528595 10.64322 
1 1 1   14    8   39 o  216.789   4.4114  319.431   12.933  345.417   18.388  293.988   18.194  225.540   6.0161  208.039   6.4536 17.50056 8.822893 
1 1 1   14    8   40 o  337.900   5.1085  775.155   23.367  827.240   33.661  726.708   32.464  348.857   7.1203  326.942   7.3273 21.91492 10.21702 
1 1 1   14    8   41 o  292.938   5.8325  582.568   22.036  588.829   37.516  579.271   27.228  293.938   9.4184  291.937   6.8825 2.000946 11.66508 
1 1 1   14    8   42 o  177.988   5.4338  222.411   12.463  190.990   20.276  241.494   15.801  167.434   8.9363  188.542   6.1844 -21.10782 10.86754 
1 1 1   14    8   43 o  249.609   4.6013  423.652   15.555  438.438   21.931  408.684   22.066  254.009   6.3712  245.208   6.6405 8.800995 9.202646 
1 1 1   14    8   44 o  304.523   6.2929  648.894   24.088  680.504   29.468  585.241   41.817  316.357   6.8737  292.688   10.543 23.66931 12.58573 
1 1 1   14    8   45 o  147.222   5.8313  150.146   10.413  153.436   12.321  141.921   19.480  150.271   6.0504  144.174   9.9704 6.096786 11.66260 
1 1 1   14    8   46 o  236.650   6.6106  380.792   21.200   0.0000   0.0000  380.792   21.200  ?   ?   236.650   6.6106      ?      ? 
1 1 1   14    8   47 o  109.734   4.9311   82.525   7.2781   90.527   10.061   73.738   10.542  115.389   6.4339  104.078   7.4744 11.31058 9.862169 
1 1 1   14    8   48 o  113.928   9.1489   88.583   14.125   0.0000   0.0000   88.583   14.125  ?   ?   113.928   9.1489      ?      ? 
1 1 1   14    8   49 o  171.145   5.4113  204.063   11.837  214.335   14.711  185.200   19.936  177.556   6.1139  164.733   8.9303 12.82312 10.82266 
1 1 1   14    8   50 o  204.004   5.5928  287.814   14.645  270.333   24.694  297.298   18.189  198.949   9.1595  209.059   6.4204 -10.10899 11.18562 
1 1 1   14    8   51 o  116.784   5.9993   93.158   8.9995   92.844   15.394   93.321   11.093  116.499   9.7507  117.069   6.9921 -0.5701599 11.99856 
1 1 1   14    8   52 o  123.850   4.8044  104.519   8.0580  107.542   11.310  101.403   11.484  125.684   6.6405  122.017   6.9451 3.667397 9.608847 
1 1 1   14    8   53 o  193.835   4.5664  255.838   11.982  271.529   17.059  240.562   16.833  199.724   6.3031  187.947   6.6090 11.77641 9.132798 
1 1 1   14    8   54 o  174.116   4.5813  206.321   10.805  200.161   15.010  212.944   15.565  171.424   6.4615  176.808   6.4963 -5.384308 9.162602 
1 1 1   14    8   55 o   72.312   6.1887   35.795   6.0630   35.335   8.4650   36.278   8.6881   71.840   8.6951   72.783   8.8087 -0.9425583 12.37735 
1 1 1   14    8   56 o  131.356   4.7512  117.823   8.4492  122.124   11.853  113.379   12.047  133.819   6.5361  128.892   6.8974 4.927704 9.502419 
1 1 1   14    8   57 o   75.081   6.0282   38.715   6.0939   33.272   8.5098   44.444   8.7307   69.603   9.0222   80.560   7.9973 -10.95775 12.05640 
1 1 1   14    8   58 o  159.204   4.6213  173.118   9.9667  178.631   14.112  167.630   14.079  161.753   6.4379  156.656   6.6318 5.096359 9.242641 
1 1 1   14    8   59 o   88.537   6.7250   53.178   7.6779   57.060   13.243   51.213   9.4232   90.704   10.774   86.371   8.0509 4.332191 13.44992 
1 1 1   14    8   60 o  150.645   5.6730  155.286   11.013  158.279   18.804  153.723   13.586  151.418   9.1642  149.873   6.6896 1.545609 11.34605 
1 1 1   14    8   61 o  121.475   6.2521  102.285   9.5013  102.892   11.451  100.945   17.023  122.507   6.8976  120.441   10.430 2.065994 12.50415 
1 1 1   14    8   62 o   87.179   12.031   53.545   14.214   0.0000   0.0000   53.545   14.214  ?   ?    87.179   12.031      ?      ? 
1 1 1   14    8   63 o   93.858   5.4241   60.751   6.8985   60.008   9.6911   61.514   9.8221   93.277   7.6668   94.439   7.6748 -1.161621 10.84819 
1 1 1   14    8   64 o  152.517   4.7267  159.836   9.7646  154.684   13.569  165.370   14.062  149.973   6.6767  155.061   6.6923 -5.088196 9.453314 
1 1 1   14    8   65 o  101.991   6.3708   74.422   8.3341   79.023   10.451   66.389   13.811  106.966   7.2101   97.016   10.505 9.949837 12.74154 
1 1 1   14    8   66 o   71.435   8.1884   35.962   7.2742   39.926   12.845   34.090   8.8260   73.174   13.449   69.696   9.3448 3.477676 16.37687 
1 1 1   14    8   67 o   39.197   9.0328   10.933   5.5300   12.598   7.9631   9.3813   7.6853   41.421   12.849   36.974   12.699 4.447601 18.06552 
1 1 1   14    8   68 o   58.591   7.8259   25.355   5.9838   26.623   8.4471   24.079   8.4776   60.225   10.744   56.957   11.382 3.268261 15.65180 
1 1 1   14    8   69 o  116.752   5.1606   94.979   8.1632   92.688   11.415   97.378   11.678  115.308   7.3055  118.196   7.2909 -2.887917 10.32121 
1 1 1   14    8   70 o  105.576   5.3713   77.685   7.6357   66.336   10.443   90.722   11.193   97.176   7.9304  113.977   7.2466 -16.80048 10.74269 
1 1 1   14    8   71 o   85.225   5.9172   51.224   6.8227   48.796   9.3287   54.015   10.004   83.096   8.2844   87.353   8.4513 -4.257378 11.83448 
1 1 1   14    8   72 o   87.670   5.9212   54.374   6.9957   47.068   9.6523   62.458   10.154   81.296   8.7615   94.044   7.9672 -12.74885 11.84234 
1 1 1   14    8   73 f   66.472   7.6646   33.615   6.4048   20.420   8.9250   47.626   9.1966   51.059   12.896   81.885   8.2878 -30.82575 15.32920 
1 1 1   14    8   74 o   59.969   9.2637   30.162   7.2640   20.187   12.081   35.811   9.0911   49.568   15.887   70.371   9.5332 -20.80342 18.52737 
1 1 1   14    8   75 o   52.505   9.0283   22.963   6.9612   11.042   10.802   31.430   9.1035   39.530   14.859   65.480   10.259 -25.94989 18.05666 
1 1 1   14    8   76 o   60.067   9.4026   25.316   8.7871   5.2896   11.349   55.289   13.884   34.702   14.485   85.432   11.993 -50.73021 18.80511 
1 1 1   14    8   77 o   88.956   7.5662   61.434   8.5483   49.022   13.719   69.312   10.929   79.621   12.715   98.292   8.2054 -18.67022 15.13237 
1 1 1   14    8   78 o   72.219   9.9335   42.653   9.3398   42.793   12.684   42.488   13.804   72.976   13.317   71.463   14.743 1.513931 19.86703 
1 1 1   14    8   79 o   47.988   11.018   19.349   8.3247   13.837   11.080   26.493   12.615   41.373   15.140   54.604   16.010 -13.23050 22.03530 
1 1 1   14    8   80 o   55.693   16.348   28.399   13.147   0.0000   0.0000   28.399   13.147  ?   ?    55.693   16.348      ?      ? 
1 1 1   14    8   81 o   30.361   13.562   0.7836   11.392   0.0000   0.0000   0.7836   11.392  ?   ?    30.361   13.562      ?      ? 
1 1 1   14    8   82 o   39.440   10.625   12.250   8.4546   20.294   11.815   3.8073   12.104   46.403   15.748   32.477   14.268 13.92595 21.25033 
1 1 1   14    8   83 o   31.662   13.967   3.7161   11.708   3.7161   11.708   0.0000   0.0000   31.662   13.967  ?   ?       ?      ? 
1 1 1   14    9    0 o  307.955   4.9126  642.376   20.490  615.896   28.497  670.720   29.483  301.390   6.9773  314.520   6.9174 -13.13000 9.825137 
1 1 1   14    9    1 o  125.151   5.0581  108.604   8.3470   93.738   12.855  119.442   10.976  117.566   8.0686  132.736   6.1019 -15.17033 10.11610 
1 1 1   14    9    2 o  260.671   6.5174  460.686   23.023   0.0000   0.0000  460.686   23.023  ?   ?   260.671   6.5174      ?      ? 
1 1 1   14    9    3 o  594.144   10.347  2395.62   83.309   0.0000   0.0000  2395.62   83.309  ?   ?   594.144   10.347      ?      ? 
1 1 1   14    9    4 o  176.359   6.1858  210.862   14.783   0.0000   0.0000  210.862   14.783  ?   ?   176.359   6.1858      ?      ? 
1 1 1   14    9    5 o  452.091   7.1777  1368.88   41.672  1443.41   72.322  1331.84   50.988  461.075   11.575  443.107   8.4913 17.96768 14.35545 
1 1 1   14    9    6 o  364.715   6.2373  867.941   29.072  1004.87   51.931  805.437   35.085  384.804   9.9587  344.625   7.5127 40.17969 12.47459 
1 1 1   14    9    7 o  216.000   4.9889  301.315   14.110  375.663   24.030  262.193   17.431  235.355   7.5344  196.645   6.5413 38.70938 9.977762 
1 1 1   14    9    8 o  242.571   5.4937  395.064   14.568  392.319   16.307  405.916   32.422  240.576   5.0020  244.566   9.7829 -3.989532 10.98747 
1 1 1   14    9    9 o  706.984   10.341  3338.88   91.694  3244.29  109.721  3557.91  166.962  691.145   11.715  722.824   17.045 -31.67914 20.68280 
1 1 1   14    9   10 o  501.713   7.5561  1706.44   43.528  1704.14   49.738  1713.94   89.961  501.266   7.3221  502.160   13.220 -0.8945313 15.11225 
1 1 1   14    9   11 o  316.022   5.8550  664.296   20.629  654.528   23.213  700.983   44.986  310.717   5.5130  321.326   10.331 -10.60934 11.71004 
1 1 1   14    9   12 o  624.163   8.8590  2655.86   64.123  2663.56   73.685  2631.85  130.159  626.525   8.6788  621.802   15.447 4.722595 17.71795 
1 1 1   14    9   13 o  557.766   8.1569  2132.21   52.791  2149.98   60.764  2077.48  106.613  562.941   7.9652  552.590   14.237 10.35028 16.31389 
1 1 1   14    9   14 o  180.600   5.4333  223.748   10.306  225.214   11.430  217.370   23.840  182.273   4.6273  178.928   9.8322 3.345047 10.86659 
1 1 1   14    9   15 o  614.288   8.7133  2519.80   61.198  2481.47   69.571  2650.93  128.665  604.686   8.4902  623.889   15.218 -19.20245 17.42656 
1 1 1   14    9   16 o  443.315   6.9461  1319.57   35.081  1307.05   39.872  1362.49   73.816  438.977   6.7026  447.652   12.168 -8.675751 13.89212 
1 1 1   14    9   17 o  237.565   5.4734  392.036   14.375  398.938   16.257  367.299   30.777  242.575   4.9455  232.556   9.7661 10.01971 10.94688 
1 1 1   14    9   18 o  246.805   5.4402  408.788   14.786  405.569   16.591  421.220   32.602  244.577   5.0058  249.033   9.6605 -4.455688 10.88042 
1 1 1   14    9   19 o  226.014   4.8818  346.343   14.952  346.343   14.952   0.0000   0.0000  226.014   4.8818  ?   ?       ?      ? 
1 1 1   14    9   20 o  156.119   4.6196  165.245   9.7733  165.245   9.7733   0.0000   0.0000  156.119   4.6196  ?   ?       ?      ? 
1 1 1   14    9   21 o  125.605   4.6499  106.967   7.9147  106.967   7.9147   0.0000   0.0000  125.605   4.6499  ?   ?       ?      ? 
1 1 1   14    9   22 o  502.318   7.5787  1727.75   44.014  1738.83   50.555  1693.03   89.470  506.150   7.3706  498.486   13.245 7.664490 15.15737 
1 1 1   14    9   23 o  439.239   6.9648  1326.02   35.304  1339.59   40.554  1283.57   71.739  444.306   6.7355  434.172   12.193 10.13406 13.92963 
1 1 1   14    9   24 o  296.735   5.7407  600.368   19.240  602.317   21.859  593.663   40.542  297.998   5.4129  295.472   10.125 2.526367 11.48131 
1 1 1   14    9   25 f  277.069   5.9058  517.768   20.259  512.433   24.100  530.617   37.404  274.795   6.4717  279.343   9.8809 -4.547729 11.81164 
1 1 1   14    9   26 o  412.083   7.0939  1162.84   36.858  1176.69   44.738  1133.57   65.030  416.227   7.9317  407.938   11.764 8.288300 14.18778 
1 1 1   14    9   27 o  357.758   5.2110  869.214   25.260  882.887   35.669  855.456   35.779  360.588   7.2996  354.927   7.4388 5.660583 10.42205 
1 1 1   14    9   28 o  209.193   6.5188  298.211   18.439  312.018   25.662  283.473   26.513  214.240   8.8391  204.146   9.5837 10.09390 13.03758 
1 1 1   14    9   29 o  292.625   5.8823  564.853   21.811  629.862   39.341  536.005   26.207  304.284   9.5408  280.967   6.8831 23.31635 11.76452 
1 1 1   14    9   30 o  279.252   4.6806  529.471   17.707  530.602   24.765  528.288   25.329  279.564   6.5368  278.940   6.7008 0.6240540 9.361140 
1 1 1   14    9   31 o  347.799   5.1677  821.268   24.341  863.286   34.835  781.178   34.026  356.499   7.2105  339.099   7.4046 17.39999 10.33541 
1 1 1   14    9   32 o  251.985   5.4215  421.338   17.647  464.635   30.533  399.621   21.624  261.379   8.6201  242.592   6.5777 18.78709 10.84307 
1 1 1   14    9   33 o  240.109   6.3997  389.694   20.723  418.229   31.225  367.234   27.703  247.884   9.2955  232.335   8.7989 15.54877 12.79946 
1 1 1   14    9   34 o  166.055   4.3128  187.443   9.6928  193.919   13.536  180.628   13.886  169.013   5.9099  163.097   6.2829 5.915451 8.625674 
1 1 1   14    9   35 o  155.956   4.3182  165.584   9.0989  178.592   12.785  152.234   12.952  162.194   5.8168  149.718   6.3839 12.47632 8.636486 
1 1 1   14    9   36 o  230.246   5.3410  358.957   16.001  365.651   26.769  355.236   19.960  231.802   8.5219  228.689   6.4407 3.113403 10.68202 
1 1 1   14    9   37 o  181.556   5.2398  227.380   12.412  211.391   20.134  237.181   15.764  176.242   8.4303  186.870   6.2250 -10.62842 10.47954 
1 1 1   14    9   38 o   99.237   4.7925   66.972   6.4296   67.650   8.8190   66.203   9.3939   99.784   6.5219   98.689   7.0241 1.094810 9.585087 
1 1 1   14    9   39 o  140.934   4.3983  134.663   8.3883  130.139   11.498  139.812   12.265  138.413   6.1299  143.455   6.3091 -5.041489 8.796641 
1 1 1   14    9   40 o  195.231   4.4062  258.728   11.646  253.973   16.065  263.994   16.907  193.351   6.1314  197.111   6.3296 -3.760498 8.812372 
1 1 1   14    9   41 o  182.173   4.3888  225.059   10.823  216.329   14.884  234.854   15.765  178.436   6.1555  185.910   6.2575 -7.474609 8.777575 
1 1 1   14    9   42 o  123.682   4.6182  103.846   7.7340  100.742   10.676  107.275   11.220  121.742   6.4709  125.621   6.5908 -3.878418 9.236419 
1 1 1   14    9   43 o  269.819   4.7352  495.287   17.304  509.854   24.343  480.406   24.604  273.851   6.5595  265.787   6.8310 8.064117 9.470417 
1 1 1   14    9   44 o  185.154   5.3119  228.989   12.697  219.601   15.583  247.537   21.904  179.729   6.3980  190.580   8.4813 -10.85033 10.62387 
1 1 1   14    9   45 o  344.914   7.3348  809.729   34.283  809.729   34.283   0.0000   0.0000  344.914   7.3348  ?   ?       ?      ? 
1 1 1   14    9   46 o  354.762   5.3471  856.320   25.690  837.966   35.576  876.318   37.136  350.811   7.4834  358.712   7.6396 -7.901215 10.69415 
1 1 1   14    9   47 o  154.801   4.6178  162.958   9.6857  160.132   13.567  165.897   13.832  153.433   6.5249  156.169   6.5362 -2.736252 9.235602 
1 1 1   14    9   48 o  132.606   4.6890  119.466   8.4190  113.323   11.663  126.150   12.165  129.048   6.6694  136.163   6.5928 -7.114716 9.377932 
1 1 1   14    9   49 o  157.707   4.5342  169.184   9.6870  167.581   13.502  170.886   13.906  156.943   6.3483  158.470   6.4757 -1.526794 9.068365 
1 1 1   14    9   50 o  197.473   4.5538  265.465   12.157  290.204   17.373  241.730   17.017  206.521   6.2077  188.426   6.6643 18.09543 9.107635 
1 1 1   14    9   51 o  172.522   5.4948  200.349   12.222  211.963   21.043  194.438   15.014  176.069   8.8195  168.975   6.5566 7.094116 10.98967 
1 1 1   14    9   52 o   84.211   5.7221   48.321   6.4583   39.184   8.8589   58.685   9.4352   75.689   8.6371   92.734   7.5081 -17.04515 11.44426 
1 1 1   14    9   53 o  127.258   4.7499  110.027   8.1602   97.274   11.213  124.384   11.898  119.422   6.9288  135.095   6.4990 -15.67355 9.499782 
1 1 1   14    9   54 o  109.383   5.0390   81.462   7.4580   75.995   10.256   87.596   10.864  105.494   7.1743  113.272   7.0778 -7.777969 10.07802 
1 1 1   14    9   55 o  119.881   4.9226   98.313   7.9760  106.666   11.295   90.005   11.264  125.007   6.6678  114.754   7.2436 10.25340 9.845247 
1 1 1   14    9   56 o   95.545   6.7632   65.427   8.1490   55.300   13.754   70.906   10.116   89.292   11.366  101.798   7.3329 -12.50558 13.52641 
1 1 1   14    9   57 o  192.494   4.6640  252.642   12.133  227.782   16.751  280.083   17.599  182.510   6.7728  202.477   6.4140 -19.96663 9.327912 
1 1 1   14    9   58 o  109.114   5.0541   81.560   7.4706   80.746   10.410   82.425   10.727  108.565   7.0757  109.663   7.2186 -1.098213 10.10812 
1 1 1   14    9   59 o   44.325   8.5596   14.256   5.4030   17.918   7.5403   10.391   7.7457   49.692   11.435   38.958   12.740 10.73377 17.11929 
1 1 1   14    9   60 o  148.387   4.7014  150.877   9.4486  143.965   13.198  158.144   13.533  144.884   6.7220  151.891   6.5748 -7.006714 9.402860 
1 1 1   14    9   61 f   76.708   6.1055   40.869   6.3266   42.820   8.7552   38.737   9.1524   78.710   8.2083   74.707   9.0405 4.003174 12.21093 
1 1 1   14    9   62 o   78.539   8.3297   42.748   8.8654   42.748   8.8654   0.0000   0.0000   78.539   8.3297  ?   ?       ?      ? 
1 1 1   14    9   63 o   78.350   6.0441   42.844   6.3904   46.594   8.9561   38.954   9.1210   81.966   8.0631   74.733   9.0063 7.232880 12.08830 
1 1 1   14    9   64 o   66.032   7.1040   31.233   6.0889   24.295   8.4507   38.723   8.7808   57.581   11.233   74.483   8.6995 -16.90207 14.20810 
1 1 1   14    9   65 o  129.723   4.9551  116.407   8.7082  113.185   12.153  119.807   12.485  127.878   7.0129  131.569   7.0022 -3.691780 9.910166 
1 1 1   14    9   66 f   65.858   7.3762   31.657   6.3002   25.003   8.9269   38.259   8.8928   57.960   11.767   73.756   8.8972 -15.79644 14.75237 
1 1 1   14    9   67 o  107.119   6.6734   82.808   9.0503   76.955   15.543   85.811   11.132  103.285   11.105  110.954   7.4037 -7.668915 13.34690 
1 1 1   14    9   68 o   72.063   6.6046   36.930   6.3928   30.944   8.8693   43.402   9.2225   65.753   9.9538   78.373   8.6835 -12.61993 13.20916 
1 1 1   14    9   69 o  125.672   5.0652  110.358   8.6257  110.066   12.123  110.658   12.275  125.523   7.1271  125.822   7.1994 -0.2984924 10.13046 
1 1 1   14    9   70 o   88.371   5.8713   54.937   6.9751   46.085   9.5041   65.271   10.269   80.512   8.7110   96.231   7.8744 -15.71883 11.74258 
1 1 1   14    9   71 o   91.501   7.9156   67.823   8.4479   42.099   13.425   84.687   10.870   73.198   14.045  109.804   7.3051 -36.60597 15.83114 
1 1 1   14    9   72 o  109.681   6.4892   88.068   9.1420   80.713   15.172   92.261   11.455  104.907   10.672  114.454   7.3857 -9.546394 12.97841 
1 1 1   14    9   73 o   44.516   9.7569   14.270   6.5473   22.753   10.645   9.1081   8.3037   52.916   14.441   36.116   13.124 16.79967 19.51377 
1 1 1   14    9   74 f   32.664   9.3344   5.2614   6.2874   6.6015   9.9258   4.3634   8.1255   34.617   13.887   30.710   12.477 3.906668 18.66875 
1 1 1   14    9   75 o   81.496   7.5182   48.118   8.0865   54.637   13.301   44.295   10.185   85.146   11.527   77.846   9.6548 7.299385 15.03635 
1 1 1   14    9   76 o   84.630   8.9551   55.565   10.230   50.116   14.349   61.198   14.589   79.899   13.253   89.361   12.047 -9.461945 17.91024 
1 1 1   14    9   77 o   35.215   14.748   6.2015   11.821   6.2015   11.821   0.0000   0.0000   35.215   14.748  ?   ?       ?      ? 
1 1 1   14    9   78 f   80.174   10.252   54.628   10.664   25.890   14.518   88.301   15.714   52.578   17.454  107.771   10.760 -55.19226 20.50404 
1 1 1   14    9   79 o   29.698   9.3152  -1.6924   7.9359   7.0471   11.076 -10.9116   11.376   34.672   14.377   24.724   11.849 9.948244 18.63034 
1 1 1   14    9   80 o   23.089   11.216 -13.7140   11.065 -13.7140   11.065   0.0000   0.0000   23.089   11.216  ?   ?       ?      ? 
1 1 1   14   10    0 o  179.544   6.1280  233.649   13.008  252.508   15.432  187.346   24.180  192.984   5.9008  166.104   10.742 26.87967 12.25605 
1 1 1   14   10    1 o  297.376   4.8512  599.785   19.544  602.443   27.361  597.016   27.928  298.053   6.7741  296.700   6.9461 1.352325 9.702383 
1 1 1   14   10    2 o  464.996   6.1524  1465.83   38.748  1530.74   55.706  1404.98   53.933  474.964   8.6548  455.028   8.7465 19.93579 12.30475 
1 1 1   14   10    3 o  281.873   4.7585  539.108   18.167  552.685   25.510  525.138   25.877  285.481   6.5940  278.265   6.8624 7.215515 9.517039 
1 1 1   14   10    4 o  236.281   4.5138  379.056   14.419  410.236   20.447  348.206   20.338  245.967   6.1343  226.595   6.6233 19.37177 9.027579 
1 1 1   14   10    5 o  256.891   4.5930  447.203   15.975  440.164   22.052  454.976   23.172  254.770   6.3874  259.013   6.6019 -4.243713 9.186082 
1 1 1   14   10    6 o  244.971   6.5329  406.983   21.687   0.0000   0.0000  406.983   21.687  ?   ?   244.971   6.5329      ?      ? 
1 1 1   14   10    7 o  477.840   6.2393  1547.99   40.376  1625.48   58.137  1475.81   56.116  489.383   8.7665  466.297   8.8806 23.08569 12.47860 
1 1 1   14   10    8 o  286.189   6.0120  554.792   21.902  558.991   38.276  552.748   26.707  286.913   9.8446  285.465   6.9037 1.447784 12.02404 
1 1 1   14   10    9 o  645.620   9.6828  2843.81   79.337  2857.24   96.683  2816.12  138.816  648.460   11.002  642.781   15.937 5.678833 19.36559 
1 1 1   14   10   10 o  315.243   6.9183  674.136   29.555  674.136   29.555   0.0000   0.0000  315.243   6.9183  ?   ?       ?      ? 
1 1 1   14   10   11 o  323.849   7.0179  711.502   30.799  711.502   30.799   0.0000   0.0000  323.849   7.0179  ?   ?       ?      ? 
1 1 1   14   10   12 o  277.735   5.2746  523.035   19.852  523.035   19.852   0.0000   0.0000  277.735   5.2746  ?   ?       ?      ? 
1 1 1   14   10   13 o  660.807   9.1038  2965.36   81.523  2965.36   81.523   0.0000   0.0000  660.807   9.1038  ?   ?       ?      ? 
1 1 1   14   10   14 o  363.622   6.3751  913.044   26.287  925.953   29.997  870.329   54.566  369.486   5.9909  357.758   11.255 11.72757 12.75018 
1 1 1   14   10   15 o  133.502   5.6225  118.664   7.6329  117.499   8.3566  124.528   18.752  131.644   4.6843  135.360   10.223 -3.716049 11.24491 
1 1 1   14   10   16 o  268.048   5.6270  485.499   16.677  483.846   18.760  491.725   36.413  267.115   5.1826  268.981   9.9896 -1.865631 11.25396 
1 1 1   14   10   17 o  298.962   5.8029  602.840   19.350  599.777   21.830  614.072   41.803  297.382   5.4170  300.541   10.264 -3.158569 11.60577 
1 1 1   14   10   18 o  288.326   5.7520  570.327   18.607  574.973   21.109  554.142   39.400  291.166   5.3499  285.486   10.184 5.679565 11.50400 
1 1 1   14   10   19 o  212.610   5.4176  306.138   12.550  305.616   14.051  308.201   27.909  212.291   4.8842  212.930   9.6720 -0.6387787 10.83528 
1 1 1   14   10   20 o  337.504   6.0651  762.138   23.004  753.079   25.985  794.960   49.463  333.184   5.7551  341.824   10.678 -8.640137 12.13030 
1 1 1   14   10   21 o  112.231   6.0694   80.496   7.9896   75.887   9.1088   95.872   16.637  105.749   6.3562  118.713   10.342 -12.96368 12.13873 
1 1 1   14   10   22 o  285.474   6.0437  548.646   21.323  541.434   25.316  566.254   39.554  282.439   6.6143  288.509   10.117 -6.070496 12.08733 
1 1 1   14   10   23 o  284.883   6.0427  551.023   21.369  550.253   25.526  552.825   39.067  284.720   6.6158  285.046   10.114 -0.3255005 12.08535 
1 1 1   14   10   24 o  283.012   6.9828  544.277   26.739  533.618   36.659  556.394   39.086  280.080   9.6587  285.944   10.087 -5.863770 13.96557 
1 1 1   14   10   25 o  288.398   5.7727  571.307   18.795  576.347   21.380  554.165   39.431  291.464   5.4130  285.332   10.198 6.132721 11.54542 
1 1 1   14   10   26 o  435.093   6.9423  1289.13   34.684  1289.83   39.657  1286.85   71.532  435.854   6.7143  434.332   12.153 1.521942 13.88464 
1 1 1   14   10   27 o  126.792   5.5250  102.228   7.5276   98.083   8.3162  121.026   17.710  120.241   5.1037  133.343   9.8008 -13.10217 11.05007 
1 1 1   14   10   28 o  359.187   6.2868  884.802   25.814  891.143   29.507  864.118   53.288  362.333   6.0094  356.040   11.045 6.293518 12.57367 
1 1 1   14   10   29 o  217.232   5.3542  312.743   12.903  307.053   14.482  334.645   28.415  212.739   5.0236  221.725   9.4569 -8.985748 10.70832 
1 1 1   14   10   30 o  298.960   6.1237  602.356   22.729  594.042   27.074  622.204   41.833  295.733   6.7556  302.186   10.216 -6.453247 12.24732 
1 1 1   14   10   31 o  216.554   6.3424  318.465   18.612   0.0000   0.0000  318.465   18.612  ?   ?   216.554   6.3424      ?      ? 
1 1 1   14   10   32 o  191.305   6.3049  248.546   16.345   0.0000   0.0000  248.546   16.345  ?   ?   191.305   6.3049      ?      ? 
1 1 1   14   10   33 o  132.575   5.6529  115.366   9.3524  130.255   17.399  109.316   11.091  138.290   9.2844  126.859   6.4515 11.43144 11.30588 
1 1 1   14   10   34 o  118.665   4.4835   95.524   7.2047   91.113   9.9918  100.301   10.398  115.814   6.3665  121.516   6.3146 -5.701866 8.966955 
1 1 1   14   10   35 o  209.130   4.4049  297.335   12.473  306.871   17.485  287.456   17.797  212.560   6.0703  205.699   6.3847 6.860275 8.809835 
1 1 1   14   10   36 o  189.232   5.2157  243.270   12.874  244.445   21.343  242.598   16.142  189.497   8.3114  188.967   6.3036 0.5302429 10.43140 
1 1 1   14   10   37 o  123.470   5.9535  103.665   9.9542  108.867   14.374   98.870   13.798  126.445   8.3886  120.495   8.4503 5.949890 11.90704 
1 1 1   14   10   38 o  232.703   4.5750  367.981   14.411  367.078   19.911  368.974   20.885  232.419   6.3218  232.986   6.6150 -0.5673065 9.150020 
1 1 1   14   10   39 o  131.074   4.6665  116.830   8.2793  117.649   11.461  115.936   11.973  131.566   6.4282  130.582   6.7663 0.9833527 9.332952 
1 1 1   14   10   40 o   65.072   7.4518   30.735   6.0830   35.058   7.8561   24.263   9.6128   71.749   8.0799   58.396   12.523 13.35339 14.90354 
1 1 1   14   10   41 o  359.692   5.3895  878.096   26.223  837.624   35.801  924.947   38.519  350.797   7.5311  368.588   7.7117 -17.79144 10.77906 
1 1 1   14   10   42 o   66.932   6.5808   30.686   5.9188   25.915   8.3045   35.612   8.4378   61.590   9.9500   72.274   8.6152 -10.68388 13.16150 
1 1 1   14   10   43 o  312.841   5.0184  666.025   21.267  666.154   29.658  665.888   30.511  312.891   6.9947  312.790   7.1981 0.1013489 10.03685 
1 1 1   14   10   44 o  343.067   5.2328  801.381   24.319  800.829   33.956  801.962   34.847  342.967   7.3060  343.167   7.4933 -0.1998291 10.46552 
1 1 1   14   10   45 o   52.203   9.6946   14.245   6.5146   8.2041   7.4757   33.312   13.281   36.255   12.521   68.150   14.804 -31.89515 19.38916 
1 1 1   14   10   46 o  170.710   4.5615  198.348   10.546  200.842   14.719  195.718   15.118  171.826   6.3212  169.593   6.5780 2.233536 9.122961 
1 1 1   14   10   47 o  294.862   4.9327  592.007   19.702  615.311   28.071  569.383   27.659  300.598   6.8912  289.126   7.0594 11.47162 9.865299 
1 1 1   14   10   48 o  122.174   4.8440  101.651   8.0186  100.554   11.225  102.794   11.459  121.504   6.8171  122.844   6.8835 -1.339592 9.687927 
1 1 1   14   10   49 o   94.663   5.4044   61.857   6.8194   74.215   9.6111   49.327   9.6773  104.366   6.7957   84.961   8.4053 19.40521 10.80879 
1 1 1   14   10   50 f  151.318   4.6505  156.040   9.5336  156.840   13.349  155.207   13.620  151.725   6.4926  150.911   6.6599 0.8137970 9.300969 
1 1 1   14   10   51 o   67.531   8.1825   27.811   6.8936   53.520   12.183   15.702   8.3609   88.224   10.190   46.838   12.805 41.38591 16.36502 
1 1 1   14   10   52 o  100.780   6.6816   73.002   8.4290   60.598   14.348   79.538   10.416   93.641   11.307  107.919   7.1220 -14.27821 13.36325 
1 1 1   14   10   53 o  140.370   5.7704  134.195   10.378  137.575   17.963  132.501   12.714  141.438   9.3717  139.303   6.7350 2.134735 11.54080 
1 1 1   14   10   54 o   70.465   6.4358   34.201   6.1334   31.714   8.6625   36.702   8.6855   67.855   9.4207   73.076   8.7708 -5.220955 12.87153 
1 1 1   14   10   55 o  202.024   4.6314  279.090   12.672  289.767   17.905  268.377   17.936  205.932   6.4162  198.116   6.6807 7.816025 9.262815 
1 1 1   14   10   56 o  107.478   5.1452   79.185   7.4919   78.527   10.456   79.880   10.740  107.031   7.2089  107.926   7.3434 -0.8951797 10.29045 
1 1 1   14   10   57 o  103.204   5.2783   72.958   7.3669   66.766   10.151   79.850   10.709   98.564   7.5995  107.844   7.3274 -9.279488 10.55669 
1 1 1   14   10   58 o  112.573   5.9600   86.631   8.7766   84.183   10.988   90.946   14.586  110.659   7.3276  114.487   9.4017 -3.827934 11.92001 
1 1 1   14   10   59 o   47.672   9.3990   15.662   6.2009   12.035   7.8030   21.880   10.215   41.071   12.716   54.273   13.845 -13.20182 18.79795 
1 1 1   14   10   60 o   59.536   7.4938   25.526   5.8457   30.124   8.2361   20.858   8.2984   65.758   9.2425   53.313   11.798 12.44542 14.98750 
1 1 1   14   10   61 f   75.962   6.1511   40.373   6.2954   44.186   8.7744   36.328   9.0376   79.809   8.1130   72.114   9.2480 7.694725 12.30229 
1 1 1   14   10   62 o   96.213   7.2407   66.158   8.4474   67.297   10.005   63.332   15.763   98.567   7.4905   93.858   12.394 4.709465 14.48136 
1 1 1   14   10   63 o   87.609   7.2968   52.572   7.9636   49.854   9.4495   59.235   14.794   84.535   8.2488   90.683   12.039 -6.148735 14.59364 
1 1 1   14   10   64 o  122.354   5.0491  103.426   8.3343   90.623   11.413  118.052   12.199  114.180   7.3763  130.527   6.8966 -16.34669 10.09819 
1 1 1   14   10   65 o   55.086   8.1520   22.549   5.8893   19.520   8.0694   26.002   8.6148   50.910   11.909   59.263   11.136 -8.353725 16.30401 
1 1 1   14   10   66 o   91.356   5.6696   58.218   6.9816   50.488   9.5038   67.281   10.290   84.704   8.2796   98.008   7.7476 -13.30429 11.33915 
1 1 1   14   10   67 o   54.618   9.1082   24.117   6.9059   14.808   10.915   30.331   8.9178   44.313   15.136   64.924   10.136 -20.61128 18.21637 
1 1 1   14   10   68 o   67.402   10.083   32.791   9.2096   0.0000   0.0000   32.791   9.2096  ?   ?    67.402   10.083      ?      ? 
1 1 1   14   10   69 o   71.013   8.8708   42.155   7.6732   25.328   12.269   52.965   9.8338   55.658   15.626   86.367   8.4021 -30.70899 17.74161 
1 1 1   14   10   70 o   82.235   7.3032   48.088   7.9248   54.800   13.057   44.174   9.9714   86.162   11.183   78.309   9.3964 7.853050 14.60639 
1 1 1   14   10   71 o   66.284   9.0069   36.535   7.4697   24.686   12.143   43.747   9.4743   54.533   15.628   78.036   8.9592 -23.50333 18.01373 
1 1 1   14   10   72 o   37.212   9.5225   9.8350   6.4191   4.7048   10.210   13.188   8.2543   33.267   13.800   41.157   13.125 -7.890656 19.04493 
1 1 1   14   10   73 o   65.437   10.279   34.682   8.8606   30.780   11.944   39.457   13.213   61.211   14.603   69.663   14.470 -8.452297 20.55793 
1 1 1   14   10   74 o   74.509   10.081   45.301   9.8803   51.630   13.657   38.349   14.312   81.992   12.291   67.027   15.982 14.96548 20.16182 
1 1 1   14   10   75 o   44.101   11.037   14.033   8.8440   4.6599   11.824   25.936   13.324   34.185   14.553   54.017   16.598 -19.83273 22.07452 
1 1 1   14   10   76 o   46.123   10.538   15.570   8.8804   0.7926   12.238   32.003   12.906   31.772   14.134   60.474   15.634 -28.70224 21.07548 
1 1 1   14   11    0 o  222.613   5.4190  345.546   15.564  370.524   19.668  303.696   25.458  233.730   6.2097  211.495   8.8827 22.23535 10.83803 
1 1 1   14   11    1 o  322.236   5.9970  694.897   24.709  675.618   30.092  734.801   43.292  315.567   7.0367  328.905   9.7130 -13.33762 11.99410 
1 1 1   14   11    2 o  506.095   6.5379  1739.29   44.830  1786.52   63.719  1693.00   63.085  512.907   9.1674  499.283   9.3240 13.62451 13.07582 
1 1 1   14   11    3 o  263.718   6.1877  487.219   20.067  510.166   24.125  435.693   36.151  274.240   6.4918  253.196   10.536 21.04309 12.37550 
1 1 1   14   11    4 o  513.350   8.2636  1818.81   54.019  1873.17   66.484  1713.23   92.662  525.153   9.3423  501.547   13.634 23.60526 16.52730 
1 1 1   14   11    5 o  241.656   5.9590  389.547   17.532  381.014   20.562  412.271   33.553  236.996   6.4024  246.315   10.052 -9.319351 11.91795 
1 1 1   14   11    6 o  223.235   4.5231  338.722   13.655  358.327   19.137  318.383   19.491  229.840   6.1441  216.631   6.6395 13.20894 9.046169 
1 1 1   14   11    7 o  340.797   5.1647  787.480   23.833  771.088   32.936  805.500   34.532  337.084   7.2102  344.510   7.3966 -7.425507 10.32944 
1 1 1   14   11    8 o  242.423   4.5709  398.538   14.996  395.452   20.649  401.983   21.816  241.438   6.3112  243.409   6.6137 -1.971191 9.141783 
1 1 1   14   11    9 o  305.481   5.8709  612.241   19.788  597.484   22.135  670.969   44.156  296.811   5.5031  314.152   10.372 -17.34094 11.74170 
1 1 1   14   11   10 o  201.457   5.5455  277.367   11.966  278.537   13.342  272.555   27.055  202.674   4.8579  200.240   9.9706 2.433899 11.09103 
1 1 1   14   11   11 o  186.567   5.6187  241.892   11.074  245.332   12.327  227.504   25.208  190.211   4.7822  182.923   10.169 7.287247 11.23742 
1 1 1   14   11   12 o  355.584   6.3675  879.044   25.697  896.394   29.380  822.558   53.012  363.502   5.9643  347.666   11.252 15.83600 12.73499 
1 1 1   14   11   13 o  182.169   5.5129  223.566   10.601  222.520   11.741  228.182   24.662  181.147   4.7829  183.191   9.9345 -2.044174 11.02585 
1 1 1   14   11   14 f  342.769   6.2040  802.678   23.963  806.212   27.208  790.455   50.600  344.730   5.8242  340.808   10.956 3.921906 12.40801 
1 1 1   14   11   15 f  157.465   5.5696  169.125   9.1713  169.546   10.148  167.252   21.425  158.118   4.7361  156.811   10.082 1.307541 11.13919 
1 1 1   14   11   16 o  284.147   5.7817  546.035   18.216  544.227   20.514  552.776   39.609  283.251   5.3443  285.042   10.254 -1.790863 11.56335 
1 1 1   14   11   17 o  199.490   5.4267  264.908   11.648  261.528   12.952  279.201   26.635  196.370   4.8671  202.610   9.7009 -6.239731 10.85336 
1 1 1   14   11   18 o  143.964   5.6392  141.074   8.4258  141.226   9.3002  140.376   19.904  144.304   4.7559  143.624   10.227 0.6794281 11.27839 
1 1 1   14   11   19 o  258.517   6.8937  455.355   24.113  473.342   33.653  436.377   34.569  263.807   9.4135  253.228   10.074 10.57973 13.78741 
1 1 1   14   11   20 o  309.832   5.9026  650.068   20.599  648.176   23.341  656.732   43.801  309.080   5.5728  310.583   10.407 -1.502563 11.80520 
1 1 1   14   11   21 o  113.199   5.6213   78.187   6.7495   73.406   7.3977  101.936   16.489  104.020   5.2480  122.379   9.9426 -18.35894 11.24266 
1 1 1   14   11   22 o  180.626   5.3911  219.233   10.570  217.620   11.803  225.764   23.753  179.114   4.8628  182.137   9.6234 -3.023193 10.78222 
1 1 1   14   11   23 o  163.186   5.4650  180.462   9.5675  180.143   10.658  181.786   21.717  162.961   4.8260  163.411   9.8068 -0.4500427 10.92994 
1 1 1   14   11   24 f  215.316   5.4109  313.234   12.879  311.909   14.485  318.233   28.143  214.419   4.9851  216.212   9.6053 -1.792984 10.82184 
1 1 1   14   11   25 o  125.938   5.8562  101.892   8.6160   96.577   9.8135  119.769   17.998  119.272   6.0716  132.603   10.016 -13.33055 11.71234 
1 1 1   14   11   26 o  251.945   5.7783  415.140   17.669  395.984   20.577  468.929   34.479  241.488   6.2878  262.403   9.6964 -20.91487 11.55665 
1 1 1   14   11   27 o  196.795   5.7054  261.571   13.490  259.499   15.748  267.282   26.146  195.505   5.9442  198.084   9.7403 -2.578781 11.41081 
1 1 1   14   11   28 o  345.018   6.2125  801.693   24.207  794.896   27.424  825.673   51.511  342.165   5.9144  347.871   10.927 -5.706329 12.42498 
1 1 1   14   11   29 o  266.258   6.0059  483.291   19.967  484.639   23.986  480.249   36.034  267.090   6.6271  265.426   10.018 1.663696 12.01183 
1 1 1   14   11   30 f   87.432   7.4190   55.828   7.6596   60.520   9.0947   44.379   14.207   94.360   7.1125   80.505   13.022 13.85546 14.83810 
1 1 1   14   11   31 o   75.141   7.6016   34.893   7.0332   30.477   8.1665   47.575   13.839   66.892   9.0092   83.390   12.246 -16.49874 15.20310 
1 1 1   14   11   32 o  137.738   5.6270  128.148   8.4472  127.507   9.4519  130.690   18.828  137.061   5.0889  138.415   10.038 -1.354431 11.25393 
1 1 1   14   11   33 o  124.232   5.7918  100.057   7.7446   97.015   8.5795  113.445   17.998  119.542   5.2961  128.922   10.302 -9.379417 11.58361 
1 1 1   14   11   34 o  193.695   5.8119  258.808   13.747  263.401   16.318  247.577   25.517  196.903   6.1153  190.487   9.8851 6.415970 11.62381 
1 1 1   14   11   35 o  280.462   5.7037  540.421   20.645  552.135   25.710  519.161   34.638  284.994   6.6572  275.931   9.2633 9.062988 11.40730 
1 1 1   14   11   36 f  188.335   5.2234  244.424   12.746  252.471   15.998  230.437   21.093  192.756   6.1246  183.914   8.4632 8.842133 10.44682 
1 1 1   14   11   37 o  148.538   4.5682  149.438   9.1782  139.000   12.561  161.394   13.444  142.992   6.4824  154.084   6.4384 -11.09190 9.136448 
1 1 1   14   11   38 o  184.380   4.5059  231.353   11.244  243.765   15.853  218.787   15.950  189.380   6.1772  179.380   6.5617 10.00047 9.011836 
1 1 1   14   11   39 o  166.967   4.5321  189.440   10.252  184.865   14.295  194.284   14.709  164.894   6.3975  169.040   6.4212 -4.146317 9.064261 
1 1 1   14   11   40 o  136.741   5.6001  129.668   9.8973  119.414   16.353  135.594   12.433  132.277   9.1230  141.204   6.4974 -8.927109 11.20022 
1 1 1   14   11   41 o  157.140   6.1786  167.749   13.078  195.345   19.135  143.561   17.915  169.264   8.3423  145.016   9.1163 24.24727 12.35720 
1 1 1   14   11   42 o  233.238   5.4829  366.481   16.441  357.700   20.159  383.929   28.415  229.310   6.4872  237.166   8.8412 -7.856644 10.96590 
1 1 1   14   11   43 o  161.819   4.5734  178.459   10.010  184.678   13.899  171.758   14.428  164.778   6.2247  158.861   6.7021 5.917099 9.146826 
1 1 1   14   11   44 o  151.897   6.0905  159.212   11.252  161.402   13.310  153.724   21.065  154.012   6.3774  149.781   10.378 4.231003 12.18097 
1 1 1   14   11   45 o  227.539   5.9127  350.435   16.676  345.931   19.849  361.243   30.748  225.423   6.4977  229.654   9.8802 -4.230621 11.82536 
1 1 1   14   11   46 o  168.356   4.6381  193.190   10.561  207.925   14.996  178.688   14.877  174.760   6.3321  161.952   6.7788 12.80849 9.276161 
1 1 1   14   11   47 o  104.115   5.2125   74.107   7.3331   67.737   10.380   80.452   10.361   99.608   7.6901  108.621   7.0387 -9.013023 10.42507 
1 1 1   14   11   48 o  149.073   5.6475  150.900   10.841  155.156   18.588  148.707   13.345  150.457   9.1168  147.690   6.6680 2.766983 11.29505 
1 1 1   14   11   49 f  122.289   5.9659  102.399   9.3332  102.473   16.108  102.362   11.451  122.106   9.7345  122.471   6.8999 -0.3651733 11.93181 
1 1 1   14   11   50 o   34.815   8.7765   7.2513   5.2284   8.2925   7.5621   6.2978   7.2369   36.259   12.589   33.371   12.233 2.887680 17.55308 
1 1 1   14   11   51 o   32.702   9.1383   4.4529   5.8753   3.0417   9.6894   5.2734   7.3886   33.125   13.561   32.279   12.253 0.8462181 18.27653 
1 1 1   14   11   52 o   97.913   5.3826   65.622   7.1270   59.924   9.9083   71.730   10.259   93.484   7.8213  102.343   7.3972 -8.859024 10.76530 
1 1 1   14   11   53 o   85.679   5.7648   50.559   6.6554   44.077   9.3431   57.237   9.4827   80.021   8.6161   91.337   7.6614 -11.31620 11.52964 
1 1 1   14   11   54 o  140.310   4.7709  134.747   9.0606  125.909   12.661  144.026   12.972  135.564   6.8919  145.056   6.5992 -9.492065 9.541873 
1 1 1   14   11   55 o   49.769   9.1671   18.623   6.2288   20.952   7.9259   14.862   10.073   53.808   11.233   45.731   14.490 8.077286 18.33418 
1 1 1   14   11   56 o  102.588   5.2971   72.428   7.3620   72.016   10.276   72.862   10.553  102.305   7.4120  102.871   7.5698 -0.5654984 10.59426 
1 1 1   14   11   57 o  167.756   4.6628  193.289   10.592  202.721   15.036  183.999   14.924  171.866   6.4560  163.647   6.7295 8.218597 9.325546 
1 1 1   14   11   58 o  122.949   4.9857  104.302   8.2815  114.105   11.754   94.639   11.670  128.783   6.7350  117.115   7.3533 11.66862 9.971487 
1 1 1   14   11   59 o   43.329   8.8113   13.802   5.4491   13.535   7.6053   14.084   7.8112   42.926   12.387   43.731   12.535 -0.8054771 17.62253 
1 1 1   14   11   60 o  108.506   5.2170   81.608   7.6635   83.865   10.707   79.237   10.974  110.109   7.1755  106.902   7.5751 3.206596 10.43409 
1 1 1   14   11   61 f   89.030   5.6312   55.220   6.7892   55.332   9.4346   55.100   9.7773   89.171   7.8076   88.890   8.1168 0.2811737 11.26240 
1 1 1   14   11   62 o   72.840   8.6667   36.598   7.4894   33.617   8.7188   44.990   14.629   69.002   9.3242   76.678   14.612 -7.675774 17.33339 
1 1 1   14   11   63 o   97.058   7.3927   67.609   8.6438   67.796   10.168   67.122   16.415   98.539   7.6143   95.578   12.674 2.961205 14.78537 
1 1 1   14   11   64 o   55.917   8.6718   26.687   7.1842   6.2633   11.364   40.284   9.2722   36.468   14.778   75.365   9.0788 -38.89711 17.34359 
1 1 1   14   11   65 o   56.890   9.1500   25.091   6.7440   24.022   10.982   25.738   8.5448   55.110   14.507   58.670   11.155 -3.560360 18.30000 
1 1 1   14   11   66 o   44.285   9.5068   14.449   6.2639   20.181   9.6938   10.339   8.2074   50.652   13.764   37.918   13.118 12.73372 19.01355 
1 1 1   14   11   67 o   70.702   9.6780   36.028   9.2725   0.0000   0.0000   36.028   9.2725  ?   ?    70.702   9.6780      ?      ? 
1 1 1   14   11   68 o   77.543   9.2853   43.254   9.7571   0.0000   0.0000   43.254   9.7571  ?   ?    77.543   9.2853      ?      ? 
1 1 1   14   11   69 o   58.212   9.0329   26.794   6.9330   23.265   11.015   29.110   8.9219   53.406   14.738   63.017   10.448 -9.611038 18.06589 
1 1 1   14   11   70 o   51.039   9.5394   17.043   8.0488   1.2060   10.449   40.149   12.622   30.846   13.410   71.232   13.571 -40.38596 19.07871 
1 1 1   14   11   71 o   52.391   10.467   21.246   8.4324   9.9517   11.220   35.908   12.783   38.519   14.975   66.263   14.627 -27.74416 20.93344 
1 1 1   14   11   72 o   38.597   10.590   10.270   7.8785   10.240   10.460   10.309   11.977   38.153   14.556   39.041   15.386 -0.8876190 21.18020 
1 1 1   14   11   73 o   37.167   14.542   9.3631   10.632   9.3631   10.632   0.0000   0.0000   37.167   14.542  ?   ?       ?      ? 
1 1 1   14   12    0 o  213.852   4.5556  310.825   13.179  322.448   18.344  298.423   18.948  218.002   6.2093  209.702   6.6677 8.300491 9.111183 
1 1 1   14   12    1 o  538.295   6.8505  1969.36   49.963  2021.71   71.239  1918.69   70.091  545.342   9.6398  531.248   9.7361 14.09412 13.70095 
1 1 1   14   12    2 o  138.637   4.6953  131.115   8.7710  139.043   12.026  122.104   12.821  143.152   6.1991  134.122   7.0538 9.030029 9.390675 
1 1 1   14   12    3 o  182.413   4.4751  225.990   11.039  229.272   15.198  222.324   16.062  183.825   6.1011  181.000   6.5484 2.825302 8.950126 
1 1 1   14   12    4 f  160.961   4.5361  176.463   9.8456  183.730   13.449  168.070   14.453  164.559   6.0309  157.362   6.7775 7.197052 9.072289 
1 1 1   14   12    5 o  158.742   4.4991  170.060   9.6399  161.046   12.952  181.256   14.434  154.058   6.2038  163.427   6.5176 -9.368668 8.998111 
1 1 1   14   12    6 o   76.723   5.6881   38.715   5.8190   32.379   7.4857   48.389   9.2502   69.043   8.0007   84.402   8.0875 -15.35886 11.37626 
1 1 1   14   12    7 o  114.729   4.7874   89.831   7.3735   93.374   9.8942   85.407   11.058  117.303   6.2243  112.156   7.2757 5.147202 9.574831 
1 1 1   14   12    8 o  237.626   4.6267  380.193   14.836  349.545   19.904  418.504   22.254  226.941   6.4722  248.311   6.6134 -21.36964 9.253426 
1 1 1   14   12    9 o  277.990   6.1811  527.456   21.148  530.584   25.155  519.913   39.059  279.584   6.6393  276.397   10.428 3.187714 12.36223 
1 1 1   14   12   10 o  413.140   6.8618  1174.64   32.445  1186.79   37.136  1135.47   66.688  418.142   6.5538  408.137   12.058 10.00540 13.72365 
1 1 1   14   12   11 o  263.688   6.0890  468.732   19.686  463.599   23.257  481.704   36.974  261.335   6.5670  266.040   10.256 -4.704834 12.17802 
1 1 1   14   12   12 o  290.102   6.2837  583.321   22.578  600.717   27.150  544.317   40.653  297.462   6.7352  282.742   10.610 14.71945 12.56733 
1 1 1   14   12   13 o  393.281   7.0379  1054.21   34.683  1056.83   41.779  1048.38   62.208  394.401   7.8170  392.161   11.706 2.239319 14.07582 
1 1 1   14   12   14 o  140.927   7.1986  135.865   13.676  144.385   18.813  126.319   19.915  145.676   9.5299  136.178   10.792 9.497269 14.39723 
1 1 1   14   12   15 o  124.614   6.1991  100.521   9.0252   95.948   10.294  115.721   18.767  118.885   6.3894  130.342   10.625 -11.45706 12.39814 
1 1 1   14   12   16 o  220.373   5.8335  330.929   15.727  331.996   18.618  328.271   29.388  221.150   6.2123  219.596   9.8756 1.554504 11.66709 
1 1 1   14   12   17 o  337.784   6.5526  775.029   27.540  772.990   32.949  779.755   50.167  337.329   7.2078  338.238   10.945 -0.9086304 13.10517 
1 1 1   14   12   18 o  156.517   6.5840  170.094   13.483  181.520   17.322  152.527   21.478  163.423   7.8215  149.611   10.593 13.81165 13.16805 
1 1 1   14   12   19 f  277.863   6.8871  528.145   25.729  547.786   34.681  504.103   38.370  283.732   9.0199  271.993   10.410 11.73886 13.77423 
1 1 1   14   12   20 o  312.840   7.1675  665.895   30.203  658.810   40.453  674.818   45.401  311.051   9.5970  314.629   10.648 -3.577606 14.33491 
1 1 1   14   12   21 o  129.602   6.5876  123.590   9.9198  134.400   11.696   95.879   18.726  140.693   6.1344  118.511   11.660 22.18152 13.17515 
1 1 1   14   12   22 o  264.112   6.1190  478.757   19.978  484.855   23.881  464.538   36.467  267.173   6.5959  261.050   10.308 6.122528 12.23800 
1 1 1   14   12   23 o  206.759   5.8898  291.377   14.843  292.086   17.526  289.579   27.915  207.388   6.2363  206.129   9.9934 1.259476 11.77958 
1 1 1   14   12   24 o  350.188   6.6342  823.204   28.861  805.554   34.335  865.704   53.279  344.240   7.3602  356.136   11.040 -11.89545 13.26835 
1 1 1   14   12   25 o  330.102   6.5831  751.486   27.139  766.648   32.758  718.305   48.460  335.832   7.1980  324.371   11.024 11.46152 13.16622 
1 1 1   14   12   26 o  189.555   5.8701  234.674   13.510  223.243   15.729  266.830   26.381  181.277   6.4028  197.832   9.8404 -16.55511 11.74012 
1 1 1   14   12   27 o  189.114   5.5763  240.087   11.535  237.877   12.909  248.837   25.689  187.210   5.0886  191.017   9.9241 -3.807404 11.15265 
1 1 1   14   12   28 o  201.645   5.5735  271.613   12.231  268.259   13.654  285.230   27.512  198.802   5.0683  204.489   9.9282 -5.686356 11.14705 
1 1 1   14   12   29 o  230.255   5.1872  359.906   16.186  359.906   16.186   0.0000   0.0000  230.255   5.1872  ?   ?       ?      ? 
1 1 1   14   12   30 o  150.835   5.1333  154.448   10.492  154.448   10.492   0.0000   0.0000  150.835   5.1333  ?   ?       ?      ? 
1 1 1   14   12   31 o  171.475   6.0465  206.380   10.925  210.159   12.168  190.669   24.812  175.945   5.1034  167.006   10.963 8.939438 12.09292 
1 1 1   14   12   32 o  521.355   7.9595  1870.33   47.952  1880.43   55.072  1838.68   97.510  525.605   7.7319  517.106   13.915 8.499146 15.91897 
1 1 1   14   12   33 o  225.179   5.5854  327.809   13.890  315.978   15.504  375.909   31.262  215.710   5.3040  234.647   9.8314 -18.93681 11.17089 
1 1 1   14   12   34 o  168.271   5.7697  193.671   10.716  194.244   12.069  191.536   23.295  169.125   5.2662  167.416   10.268 1.708908 11.53946 
1 1 1   14   12   35 o  142.228   5.8120  132.467   9.1769  128.676   10.280  147.342   20.362  137.633   5.5118  146.823   10.234 -9.189957 11.62398 
1 1 1   14   12   36 f  150.113   5.7983  150.738   9.5080  148.829   10.628  158.391   21.276  148.028   5.2984  152.197   10.316 -4.169754 11.59667 
1 1 1   14   12   37 o  139.573   5.8767  127.113   8.9426  123.426   9.9527  142.560   20.372  134.789   5.4488  144.356   10.414 -9.567215 11.75340 
1 1 1   14   12   38 o  241.909   5.9141  383.982   17.535  365.141   20.540  434.611   33.670  231.684   6.5421  252.134   9.8543 -20.45007 11.82819 
1 1 1   14   12   39 o  197.923   4.5075  266.613   12.082  276.182   17.035  256.927   17.139  201.514   6.2381  194.331   6.5081 7.183563 9.014921 
1 1 1   14   12   40 o  149.253   4.5618  151.647   9.2218  154.586   12.918  148.593   13.169  150.740   6.3240  147.765   6.5764 2.975189 9.123692 
1 1 1   14   12   41 o  211.670   4.5853  304.957   13.121  333.488   18.766  277.670   18.353  221.389   6.2552  201.951   6.7062 19.43861 9.170647 
1 1 1   14   12   42 o  122.984   4.8486  103.112   8.0732  105.512   11.265  100.578   11.576  124.474   6.6783  121.495   7.0310 2.978516 9.697132 
1 1 1   14   12   43 o  196.271   5.9469  262.541   14.420  261.523   17.161  264.989   26.599  195.967   6.4622  196.576   9.9851 -0.6088409 11.89381 
1 1 1   14   12   44 o  185.548   6.7698  235.142   16.880  229.251   22.350  242.965   25.756  182.977   9.0135  188.118   10.103 -5.141052 13.53956 
1 1 1   14   12   45 o   64.334   9.1715   28.225   7.8438   43.027   12.132   17.595   10.282   78.979   11.336   49.689   14.421 29.29010 18.34299 
1 1 1   14   12   46 o  242.371   5.6306  402.501   17.643  404.022   21.917  399.702   29.737  243.374   6.6454  241.368   9.0913 2.005112 11.26114 
1 1 1   14   12   47 o  117.665   4.9697   94.548   7.9210   93.735   11.024   95.416   11.389  117.154   6.9438  118.176   7.1117 -1.022758 9.939435 
1 1 1   14   12   48 o  129.257   4.8260  114.173   8.4507  115.478   11.849  112.823   12.056  130.024   6.7249  128.490   6.9237 1.534027 9.652030 
1 1 1   14   12   49 o   74.560   6.3664   38.281   6.4188   35.175   9.0165   41.474   9.1399   71.451   9.3121   77.669   8.6838 -6.218361 12.73273 
1 1 1   14   12   50 o   85.628   7.0799   51.023   7.8136   49.760   13.176   51.707   9.7039   84.522   11.504   86.734   8.2561 -2.212250 14.15984 
1 1 1   14   12   51 o   90.895   7.3854   57.191   9.0782   62.505   13.248   52.486   12.465   94.893   10.302   86.898   10.585 7.994774 14.77084 
1 1 1   14   12   52 o  121.928   5.0549  101.874   8.3454   96.657   11.567  107.538   12.052  118.667   7.1932  125.189   7.1039 -6.521461 10.10982 
1 1 1   14   12   53 o   90.795   5.5678   57.099   6.8137   61.848   9.4567   51.972   9.8260   94.838   7.3583   86.752   8.3582 8.085304 11.13569 
1 1 1   14   12   54 o   87.181   5.6525   52.720   6.6462   56.171   9.1809   48.920   9.6337   90.290   7.5035   84.072   8.4558 6.217323 11.30504 
1 1 1   14   12   55 o  107.478   5.0823   79.712   7.3896   82.353   10.272   76.881   10.638  109.388   6.9297  105.567   7.4364 3.820709 10.16467 
1 1 1   14   12   56 o   57.582   7.6637   24.643   5.7313   33.475   8.0340   15.491   8.1786   69.387   8.5442   45.776   12.725 23.61142 15.32733 
1 1 1   14   12   57 f  128.557   4.9250  113.852   8.5649  104.845   11.839  123.743   12.406  123.190   7.0917  133.924   6.8359 -10.73388 9.849970 
1 1 1   14   12   58 o  106.830   5.2042   79.142   7.5289   80.179   10.499   78.044   10.802  107.603   7.2001  106.058   7.5162 1.544426 10.40834 
1 1 1   14   12   59 o   64.761   7.6740   31.520   6.2025   14.530   8.5028   50.842   9.0677   44.101   13.199   85.421   7.8334 -41.31981 15.34810 
1 1 1   14   12   60 o   42.029   8.7251   13.228   5.4604   16.842   7.4913   9.1303   7.9757   47.361   11.733   36.696   12.917 10.66521 17.45025 
1 1 1   14   12   61 o   53.330   8.9882   22.533   6.5400   15.687   10.635   26.696   8.2936   45.531   14.930   61.129   10.012 -15.59742 17.97639 
1 1 1   14   12   62 f   54.901   10.814   22.684   8.3883   16.197   10.801   32.543   13.316   45.953   15.045   63.850   15.537 -17.89664 21.62768 
1 1 1   14   12   63 f   25.656   8.3990  -5.8036   6.7535  -4.5524   8.5616  -7.8645   10.988   24.697   11.317   26.615   12.413 -1.918396 16.79796 
1 1 1   14   12   64 o   57.965   9.2364   26.450   6.9639   24.205   11.143   27.888   8.9208   54.992   14.678   60.938   11.216 -5.946724 18.47279 
1 1 1   14   12   65 o   29.917   7.9033  -0.2439   5.9335 -20.3516   9.5397   12.443   7.5775   19.434   9.6302   40.401   12.534 -20.96639 15.80656 
1 1 1   14   12   66 o   47.870   10.468   18.519   7.7066   22.972   10.499   13.318   11.347   53.444   14.240   42.295   15.346 11.14907 20.93506 
1 1 1   14   12   67 o   65.032   14.289   33.979   12.248   0.0000   0.0000   33.979   12.248  ?   ?    65.032   14.289      ?      ? 
1 1 1   14   12   68 o  103.120   10.795   78.702   15.085   0.0000   0.0000   78.702   15.085  ?   ?   103.120   10.795      ?      ? 
1 1 1   14   12   69 f   43.364   15.204   14.935   11.043   14.935   11.043   0.0000   0.0000   43.364   15.204  ?   ?       ?      ? 
1 1 1   14   13    0 o  179.558   4.5790  218.434   11.114  213.152   15.112  224.655   16.401  177.208   6.2929  181.908   6.6533 -4.699722 9.157916 
1 1 1   14   13    1 o  196.441   4.6010  263.070   12.191  287.952   17.076  237.204   17.410  205.976   6.1177  186.905   6.8738 19.07068 9.201904 
1 1 1   14   13    2 o  230.721   4.6596  362.248   14.530  388.716   20.415  335.076   20.685  239.302   6.2955  222.140   6.8714 17.16190 9.319295 
1 1 1   14   13    3 o  225.290   4.6420  344.916   14.143  350.169   19.475  339.055   20.573  227.123   6.3275  223.458   6.7939 3.664795 9.284034 
1 1 1   14   13    4 o   82.631   5.6910   44.881   6.2610   35.858   8.0962   58.306   9.8751   72.632   8.2257   92.630   7.8670 -19.99818 11.38205 
1 1 1   14   13    5 o  359.162   5.3885  876.318   26.213  872.508   36.442  880.404   37.733  358.368   7.5039  359.956   7.7355 -1.587738 10.77709 
1 1 1   14   13    6 o  204.339   4.6029  284.049   12.713  292.945   17.534  274.189   18.459  207.736   6.2284  200.941   6.7789 6.794968 9.205818 
1 1 1   14   13    7 o  219.256   4.6724  327.583   13.833  351.195   19.283  302.551   19.854  227.448   6.2562  211.063   6.9416 16.38510 9.344850 
1 1 1   14   13    8 o  352.562   7.6431  850.070   36.384  899.446   50.393  796.301   52.587  363.400   10.233  341.724   11.356 21.67563 15.28628 
1 1 1   14   13    9 o  472.125   9.0498  1516.57   57.900   0.0000   0.0000  1516.57   57.900  ?   ?   472.125   9.0498      ?      ? 
1 1 1   14   13   10 o  347.102   6.6851  819.412   28.491  818.488   33.776  821.694   53.050  347.099   7.1807  347.105   11.278 -0.5584717E-02 13.37014 
1 1 1   14   13   11 o  161.772   6.0070  174.895   11.060  172.350   12.552  183.736   23.395  159.347   5.8127  164.197   10.514 -4.849670 12.01408 
1 1 1   14   13   12 o  202.391   5.9099  283.481   14.101  288.738   16.403  268.595   27.604  206.241   5.8690  198.542   10.260 7.699417 11.81989 
1 1 1   14   13   13 o  198.142   5.7480  275.358   12.210  280.980   13.678  253.296   27.094  203.503   4.9598  192.781   10.371 10.72112 11.49597 
1 1 1   14   13   14 o  111.969   6.8287   94.227   7.4158   98.681   8.1572   73.011   17.803  120.598   4.9914  103.340   12.713 17.25797 13.65736 
1 1 1   14   13   15 o  159.031   5.6522  171.112   9.5669  170.574   10.627  173.409   21.972  158.554   4.9461  159.508   10.165 -0.9537354 11.30431 
1 1 1   14   13   16 o   97.629   6.7141   66.413   6.5422   67.153   7.1684   62.720   16.005   99.472   5.3179   95.787   12.330 3.684456 13.42815 
1 1 1   14   13   17 o  148.025   5.8538  154.168   9.0640  157.259   10.078  141.084   20.735  152.238   4.8850  143.813   10.640 8.424789 11.70755 
1 1 1   14   13   18 o  240.766   5.6463  386.003   14.875  380.385   16.628  408.510   33.282  236.744   5.1830  244.789   10.033 -8.045166 11.29267 
1 1 1   14   13   19 o   75.086   8.4138   39.858   5.8329   40.122   6.3222   38.345   15.121   76.863   6.0698   73.308   15.695 3.554436 16.82756 
1 1 1   14   13   20 o  177.362   5.5447  203.969   10.502  198.072   11.608  230.553   24.648  170.838   5.0140  183.886   9.8911 -13.04790 11.08934 
1 1 1   14   13   21 o  204.609   5.5430  273.523   12.263  266.458   13.618  303.814   28.197  198.139   5.0718  211.078   9.8579 -12.93890 11.08608 
1 1 1   14   13   22 f  157.055   5.0414  167.418   10.730  167.418   10.730   0.0000   0.0000  157.055   5.0414  ?   ?       ?      ? 
1 1 1   14   13   23 o  150.667   5.0925  154.087   10.398  154.087   10.398   0.0000   0.0000  150.667   5.0925  ?   ?       ?      ? 
1 1 1   14   13   24 o  221.045   5.1504  331.689   15.428  331.689   15.428   0.0000   0.0000  221.045   5.1504  ?   ?       ?      ? 
1 1 1   14   13   25 o  205.367   5.7520  289.845   12.838  291.706   14.394  282.603   28.396  207.292   5.1240  203.442   10.300 3.849411 11.50395 
1 1 1   14   13   26 o  311.153   6.1319  666.932   21.478  672.868   24.409  646.568   45.208  314.745   5.7227  307.562   10.847 7.183075 12.26384 
1 1 1   14   13   27 o  120.626   6.1776   92.425   7.9084   88.645   8.7039  110.315   18.936  114.242   5.6221  127.010   11.002 -12.76807 12.35520 
1 1 1   14   13   28 o  160.792   5.7885  178.805   10.115  180.687   11.352  171.555   22.279  163.132   5.1351  158.452   10.376 4.680038 11.57705 
1 1 1   14   13   29 o  125.013   6.1743   99.314   8.4054   94.799   9.3190  119.012   19.466  118.123   5.8217  131.903   10.890 -13.78001 12.34853 
1 1 1   14   13   30 o  141.096   6.1969  141.047   9.4270  144.758   10.599  126.990   20.628  145.992   5.3571  136.200   11.176 9.791977 12.39388 
1 1 1   14   13   31 o  109.579   6.2779   78.873   7.5357   76.852   8.4072   87.135   16.997  106.347   5.8337  112.812   11.118 -6.464828 12.55579 
1 1 1   14   13   32 o  130.878   6.3360  125.659   8.9304  132.227   10.113  102.404   19.029  139.522   5.3489  122.235   11.488 17.28666 12.67203 
1 1 1   14   13   33 o  200.615   5.6092  269.665   12.544  266.262   14.125  282.362   27.284  197.987   5.2646  203.243   9.9063 -5.256073 11.21834 
1 1 1   14   13   34 o   69.731   8.7911   35.089   6.3777   35.767   7.1203   32.340   14.344   72.477   7.2496   66.985   16.018 5.492043 17.58229 
1 1 1   14   13   35 o  141.614   6.0889  139.342   9.3933  141.100   10.558  132.666   20.572  144.103   5.4067  139.125   10.912 4.977249 12.17773 
1 1 1   14   13   36 o  179.676   5.8333  223.118   11.488  225.189   12.929  215.348   25.044  182.051   5.2406  177.301   10.423 4.749680 11.66658 
1 1 1   14   13   37 o  189.398   5.7428  247.050   12.072  248.792   13.639  240.749   25.937  191.338   5.2603  187.458   10.210 3.880753 11.48560 
1 1 1   14   13   38 o   53.997   9.8139   15.627   6.0620   11.848   6.7060   32.513   14.176   40.963   11.571   67.032   15.854 -26.06927 19.62775 
1 1 1   14   13   39 o   93.318   7.6286   59.245   8.5187   58.594   9.9201   61.074   16.624   92.648   7.9013   93.989   13.052 -1.340851 15.25727 
1 1 1   14   13   40 o   86.846   9.0761   61.979   8.5137   73.073   10.163   35.874   15.590  103.503   7.2457   70.189   16.643 33.31418 18.15226 
1 1 1   14   13   41 o   55.128   9.6085   23.428   6.7867   26.315   7.8637   15.000   13.436   61.950   9.3671   48.306   16.779 13.64336 19.21695 
1 1 1   14   13   42 o  103.158   7.3562   79.170   8.7989   86.168   10.377   61.270   16.597  112.388   6.8136   93.927   13.039 18.46084 14.71231 
1 1 1   14   13   43 o  141.738   6.4738  145.478   11.008  155.893   13.138  120.943   20.164  151.192   6.4123  132.284   11.248 18.90784 12.94766 
1 1 1   14   13   44 o   88.265   5.5180   53.314   6.5944   56.445   9.4275   50.315   9.2275   90.818   7.6602   85.712   7.9444 5.105843 11.03595 
1 1 1   14   13   45 o  132.119   4.7648  119.165   8.5230  112.177   11.885  126.563   12.229  128.117   6.8454  136.121   6.6298 -8.003433 9.529631 
1 1 1   14   13   46 o   53.418   8.5296   21.793   6.3104   29.618   8.2989   11.068   9.7161   65.546   9.3431   41.289   14.273 24.25651 17.05924 
1 1 1   14   13   47 o  122.923   5.5236   99.518   8.9386   87.181   11.146  121.754   14.963  112.785   7.2925  133.062   8.2983 -20.27676 11.04729 
1 1 1   14   13   48 o   73.119   6.5414   37.396   6.3883   30.880   9.1690   43.542   8.9057   66.709   10.143   79.529   8.2634 -12.82057 13.08277 
1 1 1   14   13   49 o   47.612   13.838   16.488   9.4606   0.0000   0.0000   16.488   9.4606  ?   ?    47.612   13.838      ?      ? 
1 1 1   14   13   50 o  121.142   6.8373  103.260   11.039   83.274   15.756  122.529   15.471  109.158   10.651  133.126   8.5758 -23.96762 13.67457 
1 1 1   14   13   51 o   30.092   8.3815   3.8847   5.0457   2.7187   7.2171   4.9995   7.0570   28.932   11.758   31.251   11.948 -2.319044 16.76308 
1 1 1   14   13   52 o   57.954   7.4565   24.225   5.6722   20.505   8.1816   27.668   7.8709   52.878   11.725   63.030   9.2150 -10.15229 14.91296 
1 1 1   14   13   53 o   47.469   8.5081   16.625   5.5763   21.035   7.9489   12.352   7.8248   53.597   11.300   41.342   12.722 12.25497 17.01625 
1 1 1   14   13   54 o   94.849   5.4828   62.541   7.0266   65.658   9.7479   59.169   10.138   97.417   7.3841   92.282   8.1066 5.134888 10.96551 
1 1 1   14   13   55 o   31.564   8.5626   5.2745   5.1378   5.8174   7.0279   4.6512   7.5299   31.943   11.990   31.186   12.228 0.7572861 17.12525 
1 1 1   14   13   56 o   60.290   7.2833   26.164   5.8050   26.305   7.9257   26.002   8.5260   61.046   9.5807   59.534   10.973 1.512577 14.56662 
1 1 1   14   13   57 o   72.574   8.0427   39.403   7.2753   34.863   11.971   42.061   9.1611   67.802   13.504   77.346   8.7403 -9.544228 16.08530 
1 1 1   14   13   58 o   47.413   8.6298   18.040   6.4163   4.8564   10.488   25.925   8.1112   34.530   14.119   60.296   9.9268 -25.76641 17.25959 
1 1 1   14   13   59 o   81.010   7.1262   47.045   7.5334   46.985   12.401   47.080   9.4841   80.355   11.388   81.665   8.5699 -1.309975 14.25245 
1 1 1   14   13   60 o   34.705   9.3605   7.2390   6.0542   6.7384   9.5108   7.5800   7.8501   34.997   13.736   34.413   12.719 0.5841751 18.72092 
1 1 1   14   13   61 o   32.533   9.1453   5.3591   6.0027   5.0401   9.1016   5.6047   7.9856   32.850   13.255   32.216   12.604 0.6330338 18.29063 
1 1 1   14   13   62 o   62.405   10.337   31.669   8.5251   34.248   11.072   27.914   13.360   66.739   12.706   58.070   16.307 8.668968 20.67305 
1 1 1   14   13   63 o   51.488   14.919   21.482   11.012   21.482   11.012   0.0000   0.0000   51.488   14.919  ?   ?       ?      ? 
1 1 1   14   13   64 o   74.785   9.2187   43.346   8.9950   34.374   12.610   52.640   12.835   65.283   14.617   84.287   11.237 -19.00416 18.43736 
1 1 1   14   13   65 o   54.163   10.278   23.590   8.2644   12.760   11.437   35.426   11.956   41.530   15.352   66.796   13.669 -25.26585 20.55537 
1 1 1   14   14    0 o  232.612   4.7880  367.466   15.068  365.962   20.698  369.160   21.977  232.123   6.5802  233.102   6.9572 -0.9789124 9.576066 
1 1 1   14   14    1 o  222.679   4.7549  337.500   14.316  349.952   19.837  323.965   20.682  226.997   6.4487  218.362   6.9893 8.635498 9.509800 
1 1 1   14   14    2 o  226.407   6.1137  351.160   17.735  341.430   30.307  356.227   21.871  223.845   9.9910  228.968   7.0489 -5.123169 12.22733 
1 1 1   14   14    3 o  229.577   7.2296  359.287   22.450  359.793   30.840  358.717   32.745  229.791   9.9036  229.363   10.535 0.4284210 14.45927 
1 1 1   14   14    4 o  325.503   6.5347  716.053   27.115  737.329   47.488  705.761   33.029  328.799   10.658  322.206   7.5644 6.592560 13.06938 
1 1 1   14   14    5 o  365.323   5.4888  905.133   27.127  869.219   37.062  946.573   39.811  357.557   7.6490  373.090   7.8742 -15.53290 10.97768 
1 1 1   14   14    6 f   54.332   8.1252   21.382   5.7356   24.008   7.3057   17.164   9.2602   59.380   9.0791   49.284   13.478 10.09602 16.25032 
1 1 1   14   14    7 o   97.583   5.4142   65.293   7.0494   68.252   9.3194   61.334   10.778  100.223   6.8618   94.943   8.3769 5.280289 10.82849 
1 1 1   14   14    8 f   90.122   5.6601   56.193   6.7655   61.032   8.9517   49.745   10.332   94.768   6.9704   85.477   8.9196 9.290611 11.32017 
1 1 1   14   14    9 o  218.492   4.6823  324.708   13.833  330.519   19.046  318.220   20.126  220.586   6.3714  216.399   6.8630 4.186630 9.364616 
1 1 1   14   14   10 f  106.685   7.2573   87.339   7.4026   92.156   8.1392   64.282   17.807  116.526   5.1544   96.844   13.569 19.68235 14.51462 
1 1 1   14   14   11 o   46.927   9.6110   13.953   4.9402   13.627   5.3046   16.084   13.562   43.914   9.2081   49.940   16.873 -6.025436 19.22203 
1 1 1   14   14   12 f  135.546   6.5606  140.357   8.8604  149.133   9.8525  103.242   20.261  148.242   4.9044  122.850   12.170 25.39251 13.12117 
1 1 1   14   14   13 o   33.821   9.3005   5.7137   4.7218   6.6552   5.0240  -1.4136   13.823   31.720   10.253   35.923   15.520 -4.203148 18.60109 
1 1 1   14   14   14 o  125.980   5.1549  107.729   8.8005  107.729   8.8005   0.0000   0.0000  125.980   5.1549  ?   ?       ?      ? 
1 1 1   14   14   15 o  149.351   5.0302  151.399   10.181  151.399   10.181   0.0000   0.0000  149.351   5.0302  ?   ?       ?      ? 
1 1 1   14   14   16 o  170.667   5.0220  197.705   11.615  197.705   11.615   0.0000   0.0000  170.667   5.0220  ?   ?       ?      ? 
1 1 1   14   14   17 o  234.956   5.2118  374.770   16.594  374.770   16.594   0.0000   0.0000  234.956   5.2118  ?   ?       ?      ? 
1 1 1   14   14   18 o   82.988   9.1261   58.484   6.6374   63.174   7.2639   34.758   16.337   96.451   5.5575   69.526   17.386 26.92519 18.25227 
1 1 1   14   14   19 o   64.546   9.3353   31.558   5.6993   32.606   6.1571   25.291   15.062   69.260   6.5601   59.832   17.480 9.427307 18.67069 
1 1 1   14   14   20 o  121.879   6.6827  105.798   8.1522  108.118   8.9656   94.726   19.587  126.189   5.2429  117.569   12.294 8.620308 13.36531 
1 1 1   14   14   21 o  291.017   6.0161  564.684   19.289  556.049   21.614  598.479   42.758  286.128   5.5742  295.905   10.663 -9.777130 12.03222 
1 1 1   14   14   22 o   84.937   7.4335   41.273   6.5203   37.562   7.0619   62.714   16.976   74.312   7.0126   95.562   13.109 -21.24982 14.86702 
1 1 1   14   14   23 o  221.244   6.3049  350.403   17.029  376.193   20.545  293.788   30.440  235.236   6.4450  207.252   10.838 27.98436 12.60985 
1 1 1   14   14   24 o  215.044   5.8636  320.625   13.845  324.669   15.603  305.649   30.024  218.650   5.2658  211.439   10.478 7.211594 11.72722 
1 1 1   14   14   25 o  313.550   6.2987  687.062   22.243  700.955   25.362  640.755   46.301  321.181   5.8270  305.918   11.169 15.26285 12.59735 
1 1 1   14   14   26 o  218.111   5.7959  314.188   13.774  307.622   15.354  341.256   31.173  212.816   5.3238  223.406   10.297 -10.58980 11.59172 
1 1 1   14   14   27 o  257.556   6.0114  465.412   17.253  475.941   19.604  429.224   36.342  264.685   5.4654  250.427   10.709 14.25787 12.02286 
1 1 1   14   14   28 o  195.464   5.8360  256.902   12.472  254.464   13.956  266.565   27.787  193.544   5.3212  197.383   10.388 -3.838913 11.67193 
1 1 1   14   14   29 o  217.386   6.1384  328.438   16.181  336.308   19.157  308.842   30.230  222.368   6.3573  212.404   10.502 9.964554 12.27672 
1 1 1   14   14   30 o  180.581   5.9233  225.212   11.640  227.137   13.064  217.798   25.635  182.845   5.2723  178.317   10.609 4.527893 11.84665 
1 1 1   14   14   31 o   82.306   9.5641   60.040   7.3849   67.334   8.2484   30.570   16.579   99.500   6.1174   65.112   18.124 34.38802 19.12824 
1 1 1   14   14   32 o  287.159   6.0939  568.707   19.700  573.312   22.388  552.903   41.472  290.389   5.6891  283.928   10.779 6.461365 12.18788 
1 1 1   14   14   33 o  314.049   6.4881  662.227   25.196  645.157   29.850  704.532   46.991  307.703   7.1585  320.395   10.823 -12.69156 12.97618 
1 1 1   14   14   34 o   80.566   9.6563   50.452   8.4553   54.885   9.7684   37.211   16.884   89.666   8.0393   71.466   17.560 18.19942 19.31260 
1 1 1   14   14   35 o  265.816   6.3079  492.742   20.836  507.878   25.133  459.482   37.257  273.009   6.7934  258.624   10.630 14.38574 12.61576 
1 1 1   14   14   36 f  213.417   5.8887  313.682   13.922  315.408   15.714  307.384   30.018  215.348   5.3848  211.486   10.474 3.862106 11.77738 
1 1 1   14   14   37 o  148.511   6.0340  150.222   9.7756  149.720   10.950  152.193   21.697  148.344   5.4470  148.679   10.769 -0.3345947 12.06807 
1 1 1   14   14   38 o  113.393   7.2265   94.941   9.5466  102.626   11.257   75.254   18.017  122.653   6.7725  104.133   12.768 18.51966 14.45295 
1 1 1   14   14   39 o  130.311   6.6515  117.911   10.331  119.333   12.076  114.027   19.956  132.233   6.7390  128.389   11.470 3.844391 13.30304 
1 1 1   14   14   40 o  136.717   6.5214  129.283   10.676  130.224   12.496  126.738   20.547  138.109   6.6766  135.324   11.204 2.785431 13.04281 
1 1 1   14   14   41 o  138.063   6.6386  129.964   9.5915  129.232   10.602  133.267   22.511  137.698   5.6817  138.429   12.000 -0.7312927 13.27716 
1 1 1   14   14   42 o  101.919   6.3354   70.940   8.7501   70.940   8.7501   0.0000   0.0000  101.919   6.3354  ?   ?       ?      ? 
1 1 1   14   14   43 o   93.872   7.1354   58.009   7.5016   55.807   8.4212   66.473   16.509   90.301   6.8817   97.444   12.502 -7.142471 14.27082 
1 1 1   14   14   44 o  119.701   6.3289   95.734   8.4472   93.426   9.4943  104.500   18.504  116.945   5.9910  122.458   11.150 -5.512932 12.65787 
1 1 1   14   14   45 o   64.993   8.7013   27.309   6.3093   25.025   7.0885   36.016   13.842   60.214   8.6871   69.771   15.079 -9.557121 17.40265 
1 1 1   14   14   46 o  149.980   5.9265  154.498   9.9123  153.908   11.196  156.638   21.317  150.107   5.5042  149.853   10.498 0.2546082 11.85301 
1 1 1   14   14   47 o   41.348   10.130   8.2487   6.6401   3.6635   7.8543   19.736   12.432   30.871   12.364   51.824   16.051 -20.95342 20.26065 
1 1 1   14   14   48 o   76.293   9.2289   41.634   9.1987   39.490   11.937   44.767   14.433   74.733   11.787   77.852   14.204 -3.118675 18.45785 
1 1 1   14   14   49 o   49.601   9.1901   16.658   5.9970   24.214   10.567   13.069   7.2835   56.897   13.838   42.305   12.097 14.59203 18.38022 
1 1 1   14   14   50 o   35.986   8.3890   8.6683   5.0663   3.4760   7.5954   12.830   6.8000   30.141   12.128   41.831   11.594 -11.69037 16.77792 
1 1 1   14   14   51 o   47.554   8.2878   17.177   5.5442   9.9841   8.1178   23.465   7.5901   38.190   13.053   56.917   10.216 -18.72768 16.57569 
1 1 1   14   14   52 o   35.657   8.6389   8.5169   5.1565   5.5130   7.5744   11.112   7.0396   32.188   12.361   39.127   12.072 -6.939499 17.27774 
1 1 1   14   14   53 o   59.454   9.9699   27.520   7.9133   23.256   12.034   30.768   10.504   54.716   15.515   64.192   12.525 -9.475903 19.93984 
1 1 1   14   14   54 o   55.804   9.9307   22.694   7.6917   34.737   12.013   14.326   10.013   67.609   13.583   44.000   14.490 23.60884 19.86131 
1 1 1   14   14   55 o   58.379   9.1340   25.475   6.7467   27.477   11.600   24.452   8.2938   59.346   14.538   57.411   11.062 1.934826 18.26790 
1 1 1   14   14   56 o   72.579   7.9017   38.904   7.1838   37.729   12.040   39.554   8.9520   70.402   13.102   74.755   8.8369 -4.352623 15.80348 
1 1 1   14   14   57 o   63.143   8.8354   31.039   7.0535   26.499   11.734   33.608   8.8260   57.710   14.902   68.576   9.4975 -10.86665 17.67085 
1 1 1   14   14   58 o   39.996   9.7130   11.390   6.1621   13.367   10.306   10.290   7.6878   42.363   14.697   37.629   12.704 4.734631 19.42605 
1 1 1   14   14   59 o   77.234   8.3292   44.174   8.7129   42.281   12.216   46.133   12.431   75.456   11.947   79.012   11.610 -3.555397 16.65848 
1 1 1   14   14   60 o   97.939   7.7817   70.131   10.145   54.388   13.828   88.482   14.930   85.404   11.948  110.473   9.9731 -25.06853 15.56349 
1 1 1   14   14   61 o   33.745   13.706   5.5434   9.8008   5.5434   9.8008   0.0000   0.0000   33.745   13.706  ?   ?       ?      ? 
1 1 1   14   15    0 o   80.486   6.3560   45.826   6.6413   52.154   8.6559   36.770   10.355   87.575   7.2937   73.396   10.411 14.17896 12.71191 
1 1 1   14   15    1 o  106.378   5.3806   76.629   7.6613   74.824   10.023   79.166   11.881  104.908   7.0506  107.848   8.1296 -2.940079 10.76115 
1 1 1   14   15    2 o  112.963   6.0679   83.581   8.6424   78.334   10.317   95.926   15.825  107.337   7.0927  118.589   9.8474 -11.25277 12.13579 
1 1 1   14   15    3 o  107.354   6.4428   81.653   8.5946   87.136   10.477   70.370   15.029  113.219   6.8285  101.490   10.928 11.72955 12.88568 
1 1 1   14   15    4 o  100.162   6.2957   66.389   8.0272   62.899   9.6850   74.047   14.347   96.163   7.4321  104.162   10.164 -7.999191 12.59136 
1 1 1   14   15    5 o  245.788   5.8259  415.884   18.233  425.159   22.393  397.639   31.405  250.109   6.6068  241.467   9.5977 8.642700 11.65183 
1 1 1   14   15    6 o  226.493   5.6842  344.498   16.351  336.052   19.800  362.606   28.993  222.361   6.5710  230.626   9.2769 -8.265747 11.36838 
1 1 1   14   15    7 o  277.793   5.0425  524.580   18.926  522.036   25.768  527.559   27.890  277.099   6.8621  278.486   7.3904 -1.386261 10.08494 
1 1 1   14   15    8 o  235.730   4.8618  376.029   15.469  359.095   20.793  397.018   23.149  229.838   6.6759  241.622   7.0698 -11.78384 9.723653 
1 1 1   14   15    9 o  214.136   6.0504  309.624   16.578  320.724   28.856  304.155   20.254  216.792   9.8223  211.480   7.0675 5.312088 12.10071 
1 1 1   14   15   10 o  243.960   10.664  406.702   35.256   0.0000   0.0000  406.702   35.256  ?   ?   243.960   10.664      ?      ? 
1 1 1   14   15   11 o  224.197   6.2156  341.789   16.940  340.797   19.944  344.358   32.099  223.903   6.5731  224.491   10.551 -0.5883636 12.43117 
1 1 1   14   15   12 o  160.387   6.6373  186.891   12.593  201.365   14.935  151.287   23.424  172.120   6.4032  148.653   11.628 23.46666 13.27459 
1 1 1   14   15   13 o  160.352   6.4448  175.324   12.267  175.295   14.253  175.408   24.089  160.576   6.5500  160.128   11.101 0.4484863 12.88962 
1 1 1   14   15   14 o  161.214   6.2888  186.521   10.575  192.297   11.786  162.667   23.952  168.287   5.1681  154.141   11.467 14.14565 12.57754 
1 1 1   14   15   15 o  190.173   5.8565  230.777   11.926  221.647   13.165  272.549   28.159  180.655   5.3776  199.691   10.406 -19.03694 11.71308 
1 1 1   14   15   16 o  105.491   7.7473   81.291   7.9260   83.764   8.6768   68.830   19.479  111.035   5.7665   99.947   14.382 11.08871 15.49457 
1 1 1   14   15   17 o  200.962   6.4072  287.330   15.514  303.306   18.464  248.957   28.615  211.209   6.4509  190.714   11.072 20.49593 12.81443 
1 1 1   14   15   18 o  216.413   5.9697  325.032   13.954  328.968   15.637  309.641   30.924  220.088   5.2428  212.739   10.727 7.348251 11.93941 
1 1 1   14   15   19 o  269.756   6.0657  500.599   18.027  503.845   20.309  488.541   39.144  272.337   5.5029  267.176   10.812 5.160553 12.13149 
1 1 1   14   15   20 o  167.566   6.1489  197.707   10.835  201.551   12.066  181.689   24.628  172.269   5.1685  162.863   11.159 9.405685 12.29785 
1 1 1   14   15   21 o   63.450   9.5295   25.811   6.0528   24.728   6.5567   32.059   15.744   60.236   8.0324   66.664   17.284 -6.427219 19.05908 
1 1 1   14   15   22 o  259.685   5.9964  465.398   17.170  469.434   19.360  450.527   37.161  262.858   5.4350  256.513   10.691 6.344818 11.99279 
1 1 1   14   15   23 o  138.209   6.3741  133.656   9.1880  135.577   10.194  125.339   21.214  141.265   5.3250  135.153   11.583 6.112198 12.74812 
1 1 1   14   15   24 o   85.596   8.4175   53.493   6.9553   54.774   7.6595   47.469   16.606   89.737   6.2986   81.456   15.612 8.281624 16.83504 
1 1 1   14   15   25 o  108.472   6.9336   81.155   7.7967   81.529   8.6144   79.461   18.335  109.507   5.8049  107.437   12.594 2.070648 13.86712 
1 1 1   14   15   26 o  115.271   7.1151   97.403   8.3984  101.230   9.3384   81.210   19.207  122.027   5.6472  108.514   13.062 13.51266 14.23016 
1 1 1   14   15   27 o  138.103   6.7664  137.234   10.831  144.368   12.620  117.288   21.102  145.645   6.3942  130.562   11.927 15.08269 13.53283 
1 1 1   14   15   28 o  129.271   6.7109  114.927   10.251  115.506   11.902  113.263   20.178  130.229   6.7441  128.314   11.604 1.914856 13.42182 
1 1 1   14   15   29 o  147.637   6.3545  143.617   11.253  137.689   13.029  161.021   22.325  142.166   6.7630  153.108   10.760 -10.94183 12.70895 
1 1 1   14   15   30 o  256.609   5.9988  454.538   17.173  457.962   19.445  442.400   36.610  259.484   5.5299  253.734   10.647 5.750046 11.99762 
1 1 1   14   15   31 o  136.564   6.5715  136.490   9.5843  142.692   10.806  113.627   20.749  144.829   5.5060  128.299   11.934 16.53009 13.14303 
1 1 1   14   15   32 o  116.595   7.0804   93.181   9.8400   92.940   11.458   93.861   19.208  116.691   7.2456  116.499   12.167 0.1918640 14.16086 
1 1 1   14   15   33 o   78.105   9.4897   47.622   8.2242   52.306   9.5998   34.702   15.945   87.437   8.1018   68.772   17.163 18.66506 18.97944 
1 1 1   14   15   34 o   82.951   8.4945   48.549   8.1772   48.816   9.5735   47.830   15.725   84.415   8.3689   81.486   14.785 2.929207 16.98903 
1 1 1   14   15   35 o   70.307   9.8468   39.812   7.9415   44.735   9.2513   26.026   15.482   80.772   8.4520   59.841   17.788 20.93067 19.69355 
1 1 1   14   15   36 o   88.376   8.1181   53.543   9.7224   53.543   9.7224   0.0000   0.0000   88.376   8.1181  ?   ?       ?      ? 
1 1 1   14   15   37 o   62.653   8.4388   26.958   7.1648   26.958   7.1648   0.0000   0.0000   62.653   8.4388  ?   ?       ?      ? 
1 1 1   14   15   38 o  135.975   6.4270  128.507   9.4570  129.282   10.594  125.468   20.982  137.679   5.6782  134.270   11.532 3.409546 12.85391 
1 1 1   14   15   39 o  101.553   7.3352   75.601   7.9423   78.494   8.9388   64.750   17.310  107.190   6.1538   95.917   13.317 11.27319 14.67032 
1 1 1   14   15   40 o  100.484   6.9420   68.829   7.6943   68.019   8.6406   71.931   16.909   99.718   6.3943  101.251   12.324 -1.532784 13.88401 
1 1 1   14   15   41 o  124.703   6.2076  100.681   8.5928   96.021   9.5960  119.540   19.304  118.513   5.9750  130.893   10.883 -12.37947 12.41513 
1 1 1   14   15   42 o  129.010   6.3994  117.362   9.0495  118.935   10.205  111.575   19.576  131.910   5.7091  126.110   11.455 5.799698 12.79887 
1 1 1   14   15   43 o   86.532   7.1206   49.704   7.0171   47.671   7.9289   57.051   15.072   83.283   7.0254   89.781   12.388 -6.497856 14.24126 
1 1 1   14   15   44 o   76.605   8.8602   47.325   6.9084   50.980   7.8131   34.226   14.790   86.140   6.6933   67.071   16.408 19.06892 17.72042 
1 1 1   14   15   45 o   60.039   9.6463   26.922   7.3018   27.863   8.7357   24.741   13.302   63.027   10.228   57.051   16.358 5.975658 19.29259 
1 1 1   14   15   46 o   40.542   10.197   10.197   6.6394   8.7946   7.9972   13.308   11.910   36.706   12.933   44.379   15.767 -7.672928 20.39308 
1 1 1   14   15   47 o  133.031   6.4990  123.721   10.748  123.541   12.876  124.135   19.519  133.723   7.1052  132.339   10.884 1.384094 12.99793 
1 1 1   14   15   48 o   33.596   9.9090   2.5924   6.9978   0.9297   8.4113   6.3308   12.612   28.833   12.274   38.358   15.559 -9.524775 19.81791 
1 1 1   14   15   49 o   43.455   9.9958   14.256   7.0120   17.973   8.5190   6.4460   12.347   48.856   12.737   38.053   15.409 10.80272 19.99168 
1 1 1   14   15   50 o   45.595   10.238   15.938   7.0826   18.017   8.6264   11.638   12.406   48.768   12.867   42.422   15.929 6.345837 20.47602 
1 1 1   14   15   51 o   65.245   9.6261   33.765   7.8241   36.776   9.5060   27.442   13.777   71.925   9.7529   58.565   16.599 13.35936 19.25218 
1 1 1   14   15   52 o   65.888   9.5725   35.838   7.8003   40.987   9.4797   25.042   13.726   76.020   9.2020   55.756   16.789 20.26391 19.14503 
1 1 1   14   15   53 o   58.632   10.850   27.802   8.8699   33.074   12.125   21.733   13.010   65.164   14.137   52.099   16.464 13.06485 21.70033 
1 1 1   14   15   54 o   59.776   10.924   29.149   8.9875   32.941   12.083   24.454   13.446   64.844   14.149   54.707   16.648 10.13700 21.84839 
1 1 1   14   15   55 o   38.239   10.034   9.7801   6.8714   10.599   10.460   9.1587   9.1137   39.432   14.661   37.045   13.702 2.387104 20.06743 
1 1 1   14   15   56 o   40.807   10.160   12.280   6.9769   11.698   10.304   12.773   9.4813   40.367   14.626   41.248   14.107 -0.8805733 20.32083 
1 1 1   14   15   57 o   34.852   9.5347   6.0870   6.9003  -1.1885   10.108   12.438   9.4432   28.976   12.870   40.728   14.072 -11.75154 19.06933 
1 1 1   14   16    0 o  238.064   4.9602  385.679   15.975  388.085   22.005  382.996   23.230  238.878   6.7976  237.249   7.2254 1.628815 9.920354 
1 1 1   14   16    1 o  147.862   5.1512  148.321   10.271  144.414   13.777  153.208   15.409  145.703   6.9778  150.021   7.5795 -4.317490 10.30233 
1 1 1   14   16    2 o  238.224   4.9895  387.267   16.025  433.283   22.707  341.601   22.620  252.422   6.6381  224.026   7.4510 28.39616 9.979034 
1 1 1   14   16    3 o  169.951   5.0256  197.799   11.490  210.864   15.686  182.671   16.879  176.097   6.5731  163.805   7.6040 12.29276 10.05118 
1 1 1   14   16    4 o  322.964   6.7597  698.619   26.788  680.983   31.565  744.016   50.643  316.312   7.3639  329.616   11.338 -13.30402 13.51936 
1 1 1   14   16    5 o  112.396   7.8442   83.227   10.099   80.534   11.449   92.663   21.433  108.747   7.7691  116.045   13.630 -7.297104 15.68836 
1 1 1   14   16    6 o  119.147   7.9389  105.470   10.518  112.981   12.118   82.529   21.177  128.868   6.9390  109.426   14.281 19.44246 15.87777 
1 1 1   14   16    7 o  157.312   5.0299  168.373   10.662  168.147   14.330  168.654   15.956  157.229   6.7257  157.395   7.4811 -0.1655579 10.05990 
1 1 1   14   16    8 o  327.102   5.3637  728.868   23.746  735.104   32.851  722.044   34.363  328.611   7.3770  325.592   7.7881 3.019226 10.72732 
1 1 1   14   16    9 o  205.751   4.9456  289.107   13.727  301.961   18.816  274.481   20.071  210.707   6.5899  200.795   7.3762 9.912018 9.891143 
1 1 1   14   16   10 o  318.984   6.5760  722.765   23.489  746.516   26.818  644.500   48.681  331.406   5.9714  306.562   11.718 24.84396 13.15199 
1 1 1   14   16   11 o  257.919   6.1237  446.534   17.107  441.811   19.079  465.906   38.642  255.006   5.5210  260.833   10.932 -5.826950 12.24739 
1 1 1   14   16   12 o  134.735   6.8877  127.400   9.2932  129.098   10.199  119.093   22.558  137.846   5.4597  131.623   12.647 6.223221 13.77531 
1 1 1   14   16   13 o  132.041   6.5877  108.947   8.9975  103.893   9.8200  135.383   22.459  123.631   5.8614  140.452   11.800 -16.82071 13.17537 
1 1 1   14   16   14 o  376.733   6.7808  961.803   28.608  955.479   32.324  984.656   61.451  374.806   6.3641  378.660   11.976 -3.853790 13.56152 
1 1 1   14   16   15 o  125.223   7.1658  109.938   8.8846  111.225   9.7207  103.411   21.898  127.928   5.6072  122.518   13.189 5.410507 14.33158 
1 1 1   14   16   16 o   98.665   7.9146   71.920   7.5454   74.405   8.2649   59.485   18.490  104.616   5.8298   92.714   14.717 11.90191 15.82927 
1 1 1   14   16   17 o  117.836   6.4277   81.255   7.9373   74.502   8.6396  117.796   20.098  104.664   6.0913  131.008   11.321 -26.34406 12.85539 
1 1 1   14   16   18 o  134.373   6.6246  126.697   9.1391  128.511   10.096  118.466   21.503  137.510   5.4181  131.236   12.091 6.273895 13.24929 
1 1 1   14   16   19 o  107.300   6.7486   69.724   7.7260   64.773   8.4710   94.215   18.841   97.560   6.4074  117.040   11.879 -19.48033 13.49722 
1 1 1   14   16   20 o  119.342   7.1919  101.567   9.5997  104.922   10.958   90.498   19.905  124.149   6.5136  114.535   12.824 9.613869 14.38371 
1 1 1   14   16   21 o   86.235   9.8200   63.116   8.3447   70.645   9.4473   36.388   17.799  101.838   6.8457   70.633   18.408 31.20406 19.63998 
1 1 1   14   16   22 o  159.094   6.4754  185.770   10.888  194.383   12.240  153.104   23.837  169.091   5.3416  149.096   11.798 19.99454 12.95071 
1 1 1   14   16   23 o  171.053   6.1981  204.081   11.247  206.589   12.535  193.721   25.474  174.311   5.3065  167.795   11.203 6.516052 12.39620 
1 1 1   14   16   24 o   91.928   8.9097   67.118   7.5910   71.253   8.3815   48.247   17.905  102.307   6.0456   81.549   16.763 20.75842 17.81945 
1 1 1   14   16   25 o   92.698   8.4291   66.407   7.5041   70.051   8.3350   50.816   17.241  101.428   6.0641   83.968   15.730 17.45943 16.85812 
1 1 1   14   16   26 o   90.761   7.7746   55.979   7.3404   55.538   8.0959   58.020   17.402   90.256   6.6192   91.267   14.070 -1.010674 15.54926 
1 1 1   14   16   27 o   91.808   8.1252   59.597   8.7566   61.080   10.193   55.417   17.110   94.501   7.9592   89.115   14.168 5.385933 16.25042 
1 1 1   14   16   28 o  111.492   7.0890   87.561   8.2694   88.785   9.1865   82.332   18.987  114.156   5.9384  108.827   12.875 5.328255 14.17809 
1 1 1   14   16   29 o   99.205   7.7323   73.395   7.9111   76.817   8.8382   59.601   17.744  106.146   6.1444   92.265   14.192 13.88087 15.46464 
1 1 1   14   16   30 o  122.238   5.8578  101.850   9.7034  101.850   9.7034   0.0000   0.0000  122.238   5.8578  ?   ?       ?      ? 
1 1 1   14   16   31 o  197.379   5.3869  265.384   14.408  265.384   14.408   0.0000   0.0000  197.379   5.3869  ?   ?       ?      ? 
1 1 1   14   16   32 o   62.769   9.8254   23.201   6.5288   20.114   7.1425   38.883   16.100   53.077   10.302   72.460   16.734 -19.38345 19.65073 
1 1 1   14   16   33 o   69.822   8.9679   31.937   6.6825   30.109   7.4191   39.794   15.383   66.192   8.2710   73.451   15.915 -7.258484 17.93582 
1 1 1   14   16   34 o  121.810   6.5818  104.581   8.7249  106.118   9.8164   98.800   19.038  124.683   5.8098  118.936   11.812 5.746635 13.16351 
1 1 1   14   16   35 o   35.610   9.7867   2.5407   5.6039  -0.1013   6.2020   14.290   13.079   24.451   10.477   46.768   16.533 -22.31739 19.57348 
1 1 1   14   16   36 o   52.186   8.9815   24.242   6.2020   29.142   6.9426   4.8822   13.800   65.079   7.8723   39.294   16.146 25.78522 17.96294 
1 1 1   14   16   37 o   76.314   8.7035   42.788   6.8165   43.518   7.6139   39.842   15.299   79.614   7.0573   73.015   15.912 6.599548 17.40694 
1 1 1   14   16   38 o   72.141   9.0355   44.281   6.7835   49.688   7.7422   26.416   14.074   85.089   6.7144   59.193   16.777 25.89672 18.07099 
1 1 1   14   16   39 o   28.520   8.8035  -0.6306   5.2932  -1.3048   5.9510   1.9233   11.583   22.738   9.9966   34.303   14.494 -11.56449 17.60709 
1 1 1   14   16   40 o   66.485   9.0262   34.548   6.3979   36.383   7.2098   27.746   13.878   72.647   7.3236   60.324   16.500 12.32277 18.05250 
1 1 1   14   16   41 o   60.132   9.5549   30.085   7.3751   35.789   8.8062   16.687   13.496   71.659   9.0685   48.605   16.821 23.05420 19.10970 
1 1 1   14   16   42 o   68.013   9.5100   35.574   7.7871   37.884   9.2943   30.134   14.264   73.595   9.3194   62.432   16.580 11.16317 19.02001 
1 1 1   14   16   43 o   61.807   11.354   29.511   9.6757   34.705   13.812   24.505   13.559   67.279   15.472   56.336   16.621 10.94314 22.70798 
1 1 1   14   16   44 o  125.241   6.6406  107.744   10.325  104.073   12.262  116.688   19.141  122.522   7.3855  127.960   11.038 -5.437141 13.28123 
1 1 1   14   16   45 o  101.742   7.7374   78.165   9.4247   84.489   11.308   63.782   17.054  110.242   7.5696   93.241   13.497 17.00022 15.47486 
1 1 1   14   16   46 o   49.369   10.282   19.060   7.1377   20.526   8.5236   15.617   13.059   52.221   12.255   46.516   16.512 5.705318 20.56305 
1 1 1   14   16   47 o   42.620   10.158   13.655   6.9831   16.258   8.2866   7.2783   12.971   46.280   12.788   38.960   15.788 7.319626 20.31695 
1 1 1   14   16   48 o   91.607   7.4803   57.801   8.6029   53.792   10.241   67.415   15.858   87.319   8.6544   95.896   12.203 -8.576111 14.96057 
1 1 1   14   16   49 o   76.620   8.6447   42.707   7.9331   41.290   9.4026   46.208   14.779   76.247   9.1000   76.993   14.701 -0.7455597 17.28950 
1 1 1   14   16   50 o   31.529   12.404   5.1164   7.7713   5.1164   7.7713   0.0000   0.0000   31.529   12.404  ?   ?       ?      ? 
1 1 1   14   16   51 o   39.040   13.002   11.261   8.0538   11.261   8.0538   0.0000   0.0000   39.040   13.002  ?   ?       ?      ? 
1 1 1   14   16   52 o   92.298   8.3050   60.394   10.388   60.394   10.388   0.0000   0.0000   92.298   8.3050  ?   ?       ?      ? 
1 1 1   14   17    0 o   77.043   7.0682   41.886   7.1136   46.983   9.2974   34.690   11.048   82.992   8.2669   71.094   11.467 11.89809 14.13639 
1 1 1   14   17    1 o  146.624   5.1508  147.379   10.134  154.374   13.617  138.696   15.172  150.610   6.6720  142.637   7.8492 7.972916 10.30168 
1 1 1   14   17    2 o  193.119   4.9516  253.928   12.908  253.824   17.497  254.053   19.119  193.117   6.6860  193.120   7.3057 -0.3585815E-02 9.903260 
1 1 1   14   17    3 o  100.057   6.3067   71.634   8.1468   87.488   10.901   51.577   12.261  113.343   7.0973   86.771   10.427 26.57202 12.61341 
1 1 1   14   17    4 o  163.364   5.0812  183.346   11.146  198.451   15.211  165.832   16.380  170.762   6.5735  155.965   7.7500 14.79718 10.16237 
1 1 1   14   17    5 o  198.173   5.0333  269.719   13.382  308.759   18.748  229.158   19.109  213.003   6.4950  183.343   7.6911 29.66043 10.06666 
1 1 1   14   17    6 o  234.835   5.0016  375.201   15.875  369.989   21.608  381.312   23.399  233.105   6.8404  236.566   7.2989 -3.460007 10.00324 
1 1 1   14   17    7 o  215.042   5.0050  316.241   14.523  333.607   20.014  296.926   21.107  221.367   6.6717  208.718   7.4626 12.64844 10.01009 
1 1 1   14   17    8 o  104.943   6.0223   73.985   8.4798   66.872   11.081   84.038   13.174   98.979   8.2611  110.907   8.7652 -11.92808 12.04470 
1 1 1   14   17    9 o  156.208   5.2152  166.263   10.979  165.705   14.764  166.952   16.422  155.963   6.9857  156.453   7.7455 -0.4893951 10.43039 
1 1 1   14   17   10 o  226.469   6.5683  365.220   17.610  382.181   20.701  320.793   33.502  236.941   6.4470  215.996   11.446 20.94498 13.13664 
1 1 1   14   17   11 o  163.106   6.7219  185.965   12.385  189.240   14.132  175.121   25.717  166.744   6.2541  159.467   11.900 7.277618 13.44376 
1 1 1   14   17   12 o   60.049   10.503   16.894   6.9119   11.698   7.5166   45.341   17.588   41.031   12.439   79.067   16.926 -38.03546 21.00507 
1 1 1   14   17   13 o  102.348   8.7584   74.784   11.292   79.890   13.937   65.027   19.266  107.992   9.5236   96.704   14.702 11.28811 17.51676 
1 1 1   14   17   14 o  166.824   6.6232  192.068   13.114  193.657   15.275  187.611   25.578  168.590   6.6858  165.057   11.435 3.532471 13.24642 
1 1 1   14   17   15 o  119.201   8.4182  115.942   10.676  133.482   12.466   67.683   20.677  139.969   6.5720   98.434   15.501 41.53436 16.83632 
1 1 1   14   17   16 o  109.671   7.7268   83.195   9.7132   83.561   11.117   82.011   19.972  110.648   7.4138  108.695   13.559 1.953239 15.45350 
1 1 1   14   17   17 o  115.347   7.3282   87.337   9.8712   83.555   11.267   99.824   20.473  110.618   7.5165  120.075   12.582 -9.457611 14.65632 
1 1 1   14   17   18 o   84.849   8.6171   46.170   8.4533   43.122   9.5635   57.060   18.076   79.328   8.8962   90.370   14.761 -11.04172 17.23421 
1 1 1   14   17   19 o  126.553   7.2036  108.876   10.604  107.636   12.169  112.787   21.617  125.562   7.1517  127.544   12.507 -1.982422 14.40719 
1 1 1   14   17   20 o  153.510   6.6432  158.120   12.098  154.253   13.977  169.669   24.158  150.337   6.8609  156.682   11.378 -6.345306 13.28633 
1 1 1   14   17   21 o  229.501   6.2482  379.632   15.600  393.398   17.648  330.439   33.361  240.389   5.4174  218.613   11.261 21.77676 12.49637 
1 1 1   14   17   22 o   76.165   8.9774   33.952   6.7766   30.765   7.3239   52.921   17.865   67.017   8.0645   85.312   16.042 -18.29539 17.95487 
1 1 1   14   17   23 o  142.981   5.4497  139.242   10.559  139.242   10.559   0.0000   0.0000  142.981   5.4497  ?   ?       ?      ? 
1 1 1   14   17   24 o   62.966   8.2553   27.200   7.0440   27.200   7.0440   0.0000   0.0000   62.966   8.2553  ?   ?       ?      ? 
1 1 1   14   17   25 o   73.286   7.4223   36.778   7.3712   36.778   7.3712   0.0000   0.0000   73.286   7.4223  ?   ?       ?      ? 
1 1 1   14   17   26 o   57.766   10.037   23.936   6.4695   24.202   7.1157   22.668   15.537   59.295   8.8556   56.237   18.015 3.058472 20.07428 
1 1 1   14   17   27 o  116.653   6.6706   86.783   8.3581   82.549   9.2241  106.211   19.758  109.929   6.1920  123.378   11.817 -13.44910 13.34124 
1 1 1   14   17   28 o   69.487   9.4992   35.178   6.6651   35.482   7.3310   33.728   16.005   71.910   7.5230   67.065   17.445 4.845261 18.99843 
1 1 1   14   17   29 o  105.587   7.0760   75.420   7.8307   74.328   8.6445   80.412   18.487  104.276   6.1175  106.898   12.762 -2.622055 14.15203 
1 1 1   14   17   30 o   47.573   10.050   17.698   7.0436   21.342   8.0806   6.1741   14.371   54.312   11.345   40.835   16.593 13.47666 20.10060 
1 1 1   14   17   31 o   34.418   9.6107   5.5135   6.4045   8.1672   7.3620  -2.7444   12.987   35.650   12.419   33.187   14.671 2.462395 19.22135 
1 1 1   14   17   32 o   64.745   9.8595   28.097   7.5841   24.770   8.7790   37.884   15.057   58.469   11.490   71.021   16.026 -12.55183 19.71898 
1 1 1   14   17   33 o   68.576   9.3724   33.129   7.6161   31.972   8.8828   36.340   14.799   67.759   9.6738   69.393   16.056 -1.634377 18.74481 
1 1 1   14   17   34 o   76.928   9.1309   45.857   7.9738   49.519   9.3984   36.448   15.064   84.600   8.1979   69.257   16.318 15.34326 18.26186 
1 1 1   14   17   35 o   52.551   10.466   20.639   7.1746   21.135   8.2894   19.158   14.324   53.679   11.724   51.423   17.341 2.255825 20.93181 
1 1 1   14   17   36 o   68.579   9.7325   36.166   7.7775   37.971   9.0554   31.093   15.186   73.797   9.0550   63.362   17.231 10.43455 19.46503 
1 1 1   14   17   37 o   40.084   10.428   9.0867   6.9317   7.1069   8.2547   13.821   12.765   34.880   13.013   45.288   16.299 -10.40780 20.85645 
1 1 1   14   17   38 o  106.366   7.8090   87.588   9.7646   98.351   11.764   63.751   17.508  119.226   7.2813   93.506   13.817 25.72040 15.61793 
1 1 1   14   17   39 o  130.832   6.8595  124.852   10.968  131.548   13.195  109.882   19.729  137.889   7.0616  123.774   11.762 14.11521 13.71901 
1 1 1   14   17   40 o  120.677   7.2088  108.112   10.389  114.797   12.364   92.053   19.163  128.718   7.0880  112.636   12.555 16.08183 14.41754 
1 1 1   14   17   41 o  101.359   7.3561   71.915   9.1990   70.094   10.906   76.406   17.127  100.179   8.0332  102.539   12.325 -2.359772 14.71215 
1 1 1   14   17   42 o   48.051   10.583   17.215   7.1794   16.775   8.5152   18.296   13.351   46.998   12.954   49.105   16.740 -2.106670 21.16692 
1 1 1   14   17   43 o   93.859   7.9405   64.883   8.8590   66.377   10.408   60.954   16.877   97.365   7.8886   90.354   13.783 7.010391 15.88110 
1 1 1   14   17   44 o   64.046   9.6737   30.538   7.4393   29.713   8.6731   32.832   14.471   64.447   9.9309   63.645   16.604 0.8023148 19.34749 
1 1 1   14   17   45 o   37.233   12.860   9.8118   7.8861   9.8118   7.8861   0.0000   0.0000   37.233   12.860  ?   ?       ?      ? 
1 1 1   14   17   46 f   43.961   12.856   14.839   8.1435   14.839   8.1435   0.0000   0.0000   43.961   12.856  ?   ?       ?      ? 
1 1 1   14   17   47 o   52.908   11.974   21.414   8.3850   21.414   8.3850   0.0000   0.0000   52.908   11.974  ?   ?       ?      ? 
1 1 1   14   17   48 o   59.026   11.264   26.283   8.6809   26.283   8.6809   0.0000   0.0000   59.026   11.264  ?   ?       ?      ? 
1 1 1   14   18    0 o  221.133   7.4188  333.807   22.232   0.0000   0.0000  333.807   22.232  ?   ?   221.133   7.4188      ?      ? 
1 1 1   14   18    1 o   90.944   6.5771   54.513   7.9151   41.210   10.200   74.652   12.549   77.487   9.7135  104.402   8.8702 -26.91513 13.15416 
1 1 1   14   18    2 o   94.321   6.2944   59.118   7.9235   49.640   10.219   73.409   12.548   85.129   8.8579  103.513   8.9450 -18.38322 12.58874 
1 1 1   14   18    3 o  133.083   5.5212  120.621   9.8359  118.427   12.887  123.682   15.223  131.721   7.2198  134.446   8.3553 -2.724243 11.04246 
1 1 1   14   18    4 o  179.488   5.0809  216.098   12.242  192.354   16.033  249.302   18.959  167.893   7.0467  191.083   7.3217 -23.19043 10.16184 
1 1 1   14   18    5 o  157.510   5.3211  173.059   11.113  202.146   15.199  139.650   16.289  172.193   6.5135  142.827   8.4160 29.36610 10.64211 
1 1 1   14   18    6 o  263.186   5.1550  474.920   18.311  509.125   25.458  438.256   26.357  273.158   6.8774  253.215   7.6810 19.94211 10.31006 
1 1 1   14   18    7 o  117.290   5.7832   95.267   9.0068  100.550   11.824   87.964   13.903  121.344   7.1904  113.237   9.0599 8.107025 11.56648 
1 1 1   14   18    8 o   94.648   6.5115   63.757   8.0270   73.489   10.575   50.526   12.330  103.690   7.5260   85.607   10.628 18.08289 13.02308 
1 1 1   14   18    9 o   74.288   7.3811   38.478   7.2455   40.254   9.4004   35.878   11.372   76.581   9.0583   71.995   11.656 4.585114 14.76218 
1 1 1   14   18   10 o   99.873   7.9806   70.441   7.8872   71.161   8.6301   66.793   19.431  102.159   6.2339   97.587   14.693 4.572136 15.96120 
1 1 1   14   18   11 o   95.808   8.7326   68.304   7.8319   70.137   8.5774   59.116   19.205  101.412   6.2415   90.204   16.312 11.20841 17.46528 
1 1 1   14   18   12 o  125.899   7.0181  105.674   8.9997  103.888   9.8484  114.716   22.161  123.457   5.8866  128.340   12.742 -4.882637 14.03630 
1 1 1   14   18   13 o  149.189   7.4413  175.565   10.913  188.333   12.149  122.235   24.830  166.293   5.3912  132.085   13.872 34.20761 14.88269 
1 1 1   14   18   14 o  211.217   5.4778  303.936   15.679  303.936   15.679   0.0000   0.0000  211.217   5.4778  ?   ?       ?      ? 
1 1 1   14   18   15 o   63.511   8.5589   27.708   7.3663   27.708   7.3663   0.0000   0.0000   63.511   8.5589  ?   ?       ?      ? 
1 1 1   14   18   16 o  132.339   5.8063  119.447   10.413  119.447   10.413   0.0000   0.0000  132.339   5.8063  ?   ?       ?      ? 
1 1 1   14   18   17 o   67.990   10.768   30.556   6.9811   29.587   7.4643   37.322   19.724   65.616   8.3946   70.364   19.833 -4.748177 21.53647 
1 1 1   14   18   18 o  108.523   8.9307   98.260   8.7487  106.326   9.6888   62.636   20.361  124.841   5.7270   92.205   16.918 32.63586 17.86144 
1 1 1   14   18   19 o  120.350   6.8185   95.791   8.6901   93.274   9.5946  107.285   20.503  116.863   6.0585  123.837   12.217 -6.974167 13.63702 
1 1 1   14   18   20 o  103.497   7.6042   77.391   8.1360   79.154   9.0356   69.837   18.704  107.617   6.1958   99.377   13.889 8.240181 15.20832 
1 1 1   14   18   21 o   53.817   10.420   15.994   6.3236   12.750   6.9248   32.279   15.516   42.067   11.714   65.566   17.236 -23.49875 20.83983 
1 1 1   14   18   22 o   70.370   9.7208   37.572   6.8988   38.616   7.6007   32.690   16.437   74.978   7.4806   65.762   17.945 9.215820 19.44159 
1 1 1   14   18   23 o  116.783   6.8028   90.919   8.4304   88.741   9.3203  100.719   19.770  113.910   6.0379  119.656   12.192 -5.746407 13.60558 
1 1 1   14   18   24 o   56.999   10.045   23.757   6.4160   24.141   7.0426   21.878   15.559   59.078   8.7967   54.919   18.061 4.159138 20.08970 
1 1 1   14   18   25 f   58.845   9.2170   32.761   6.4901   38.582   7.2272   8.5059   14.752   74.927   7.1178   42.763   17.004 32.16421 18.43402 
1 1 1   14   18   26 o   61.450   9.8515   31.272   6.4958   33.544   7.1268   20.117   15.789   69.777   7.5370   53.123   18.204 16.65435 19.70292 
1 1 1   14   18   27 o  107.702   6.5450   72.298   7.7050   67.091   8.5184   95.725   18.068   98.889   6.3566  116.515   11.443 -17.62623 13.09007 
1 1 1   14   18   28 o   43.746   9.9044   13.689   5.9179   14.445   6.5938   10.557   13.418   44.453   11.005   43.040   16.471 1.412746 19.80879 
1 1 1   14   18   29 o   55.999   9.4497   25.805   6.2069   28.197   6.9193   15.948   14.045   63.814   8.0014   48.184   17.122 15.62955 18.89941 
1 1 1   14   18   30 o   53.255   9.8660   17.565   6.0191   14.901   6.6815   29.042   13.866   45.056   11.031   61.453   16.360 -16.39640 19.73203 
1 1 1   14   18   31 o   67.378   9.7115   38.775   7.9167   46.128   9.4489   21.454   14.502   81.384   8.5676   53.372   17.431 28.01236 19.42307 
1 1 1   14   18   32 o   39.547   9.7039   10.820   6.7228   14.960   7.9883   0.7708   12.446   44.889   12.611   34.204   14.752 10.68426 19.40780 
1 1 1   14   18   33 o   89.046   8.3398   59.860   8.4661   62.939   9.9789   51.951   15.993   95.188   7.7360   82.905   14.777 12.28320 16.67963 
1 1 1   14   18   34 o   45.572   10.131   15.996   6.8723   18.192   8.0694   10.197   13.112   49.302   12.155   41.842   16.211 7.459225 20.26150 
1 1 1   14   18   35 o   93.737   8.0653   66.569   8.8893   71.036   10.521   55.425   16.617  101.005   7.6867   86.468   14.181 14.53682 16.13069 
1 1 1   14   18   36 o   78.553   9.1983   47.472   8.2338   49.430   9.6536   42.245   15.773   83.934   8.4873   73.171   16.322 10.76304 18.39653 
1 1 1   14   18   37 o   57.040   10.455   24.977   7.4340   24.785   8.5941   25.548   14.816   57.720   11.392   56.359   17.534 1.360588 20.90933 
1 1 1   14   18   38 o   36.908   10.333   7.1075   6.7381   6.9266   7.6544   7.7304   14.202   33.625   12.534   40.190   16.431 -6.564938 20.66606 
1 1 1   14   18   39 o   88.223   7.7503   48.516   8.2823   40.047   9.4811   75.800   17.017   75.034   9.3244  101.411   12.383 -26.37698 15.50069 
1 1 1   14   18   40 o   68.895   9.7023   33.972   9.0582   33.972   9.0582   0.0000   0.0000   68.895   9.7023  ?   ?       ?      ? 
1 1 1   14   18   41 o   89.200   8.1714   56.157   9.8775   56.157   9.8775   0.0000   0.0000   89.200   8.1714  ?   ?       ?      ? 
1 1 1   14   18   42 o   45.930   12.781   16.330   8.2462   16.330   8.2462   0.0000   0.0000   45.930   12.781  ?   ?       ?      ? 
1 1 1   14   18   43 o   53.219   12.128   21.776   8.5514   21.776   8.5514   0.0000   0.0000   53.219   12.128  ?   ?       ?      ? 
1 1 1   14   19    0 o  137.687   5.5255  132.139   10.138  148.189   13.753  113.043   15.002  147.178   6.8958  128.196   8.6356 18.98151 11.05106 
1 1 1   14   19    1 o   90.210   7.4691   56.575   9.0780   63.688   12.877   49.546   12.800   95.988   9.8993   84.432   11.187 11.55611 14.93822 
1 1 1   14   19    2 o   83.944   9.0052   54.243   8.7139   60.490   10.508   40.486   15.593   93.821   8.2648   74.068   16.002 19.75249 18.01043 
1 1 1   14   19    3 o   92.039   7.8603   59.139   8.8399   59.479   10.478   58.299   16.465   93.016   8.3126   91.062   13.343 1.954269 15.72056 
1 1 1   14   19    4 o   98.389   7.5616   67.510   9.2483   68.004   11.098   66.388   16.729   99.461   8.2343   97.318   12.685 2.142998 15.12323 
1 1 1   14   19    5 o  147.977   7.7370  152.601   15.437  134.700   21.736  170.817   21.927  138.989   11.541  156.966   10.308 -17.97726 15.47402 
1 1 1   14   19    6 o   70.070   11.697   36.526   10.911   37.399   15.963   35.760   14.949   70.769   16.882   69.371   16.196 1.398575 23.39446 
1 1 1   14   19    7 o  118.876   7.5678  101.844   11.437   86.548   19.004  110.529   14.320  111.026   12.631  126.725   8.3390 -15.69810 15.13558 
1 1 1   14   19    8 o   82.710   6.8294   46.643   7.5518   43.279   9.7749   51.624   11.894   79.163   9.1119   86.258   10.175 -7.095085 13.65877 
1 1 1   14   19    9 o  126.711   7.1046  105.629   10.651   99.970   12.218  123.552   21.743  120.670   7.4714  132.753   12.086 -12.08246 14.20929 
1 1 1   14   19   10 o   43.542   10.025   13.928   6.0966   15.800   6.6082   3.2238   15.802   46.755   10.666   40.329   16.979 6.425457 20.05083 
1 1 1   14   19   11 o  149.636   6.2198  136.864   9.7848  127.612   10.691  184.580   24.280  136.669   5.7728  162.602   11.019 -25.93375 12.43966 
1 1 1   14   19   12 o   85.648   8.8302   52.051   7.4662   51.882   8.2179   52.852   17.869   86.963   6.9733   84.333   16.225 2.630875 17.66032 
1 1 1   14   19   13 o   64.345   10.340   28.227   7.3496   27.007   8.1538   33.509   16.972   62.372   9.6470   66.318   18.292 -3.946400 20.67968 
1 1 1   14   19   14 o   84.752   9.3112   58.813   7.4894   62.931   8.3202   41.228   17.194   95.839   6.4063   73.665   17.486 22.17356 18.62239 
1 1 1   14   19   15 o   51.354   9.3599   23.175   6.5211   27.564   7.1932   2.9287   15.450   63.158   8.4046   39.551   16.727 23.60649 18.71983 
1 1 1   14   19   16 o  116.887   6.7331   88.743   8.4833   84.913   9.3868  105.811   19.817  111.322   6.2224  122.451   11.942 -11.12958 13.46626 
1 1 1   14   19   17 o   46.581   9.7853   17.095   6.2251   19.357   6.8922   7.0751   14.504   51.817   10.178   41.345   16.715 10.47248 19.57053 
1 1 1   14   19   18 o  131.225   6.9617  130.112   9.4704  136.713   10.616  104.385   20.958  141.371   5.5414  121.079   12.773 20.29171 13.92338 
1 1 1   14   19   19 o   46.896   9.7362   17.630   6.1501   19.924   6.7591   6.5891   14.825   52.628   9.8390   41.163   16.804 11.46498 19.47242 
1 1 1   14   19   20 o   45.312   10.220   10.869   5.7962   8.1171   6.3845   23.770   13.824   34.620   11.577   56.005   16.845 -21.38591 20.43962 
1 1 1   14   19   21 o   40.191   10.278   8.1702   5.6927   6.6521   6.2303   15.846   14.010   32.351   11.414   48.031   17.097 -15.68081 20.55655 
1 1 1   14   19   22 o   54.473   9.6969   14.821   6.0235   9.8188   6.6160   39.051   14.562   37.216   11.739   71.730   15.438 -34.51424 19.39370 
1 1 1   14   19   23 o   47.502   10.327   13.633   5.9029   11.678   6.4840   23.099   14.266   39.992   11.406   55.011   17.220 -15.01914 20.65479 
1 1 1   14   19   24 o   38.387   10.367   7.1349   6.6140   5.3435   7.5866   12.809   13.502   32.091   12.359   44.683   16.648 -12.59198 20.73429 
1 1 1   14   19   25 o   38.762   10.371   7.9838   6.6008   6.6738   7.5755   12.114   13.452   33.593   12.479   43.930   16.567 -10.33621 20.74159 
1 1 1   14   19   26 f   28.324   8.8695  -1.1641   6.4184   1.9581   7.4236 -10.4081   12.774   28.238   11.745   28.411   13.294 -0.1725979 17.73903 
1 1 1   14   19   27 o   51.055   10.403   18.606   6.9255   17.011   8.0610   23.102   13.533   47.624   12.377   54.486   16.725 -6.862621 20.80677 
1 1 1   14   19   28 o   44.299   10.678   12.052   6.7866   9.5156   7.7649   20.258   13.967   37.152   12.764   51.447   17.122 -14.29478 21.35607 
1 1 1   14   19   29 o   42.688   10.043   13.840   6.8961   16.888   8.0339   5.3078   13.442   47.317   12.385   38.059   15.814 9.257908 20.08687 
1 1 1   14   19   30 o   29.023   9.1473  -1.3011   6.3469  -1.3958   7.3065  -1.0098   12.812   24.947   11.017   33.099   14.605 -8.152939 18.29465 
1 1 1   14   19   31 o   43.527   10.783   12.013   6.9562   9.9377   7.9763   18.607   14.216   37.628   12.937   49.426   17.255 -11.79855 21.56583 
1 1 1   14   19   32 o   91.229   8.7487   63.708   8.8899   65.980   10.335   57.243   17.431   97.029   7.8601   85.430   15.633 11.59870 17.49739 
1 1 1   14   19   33 o   62.404   10.068   28.920   7.5110   27.305   8.7047   33.629   14.861   60.635   10.999   64.174   16.867 -3.538990 20.13622 
1 1 1   14   19   34 o   63.277   10.269   28.849   8.8059   28.849   8.8059   0.0000   0.0000   63.277   10.269  ?   ?       ?      ? 
1 1 1   14   19   35 o   43.283   12.821   14.347   8.0538   14.347   8.0538   0.0000   0.0000   43.283   12.821  ?   ?       ?      ? 
1 1 1   14   19   36 f  112.016   7.4258   88.039   11.272   88.039   11.272   0.0000   0.0000  112.016   7.4258  ?   ?       ?      ? 
1 1 1   14   19   37 o   92.498   8.1160   60.516   10.173   60.516   10.173   0.0000   0.0000   92.498   8.1160  ?   ?       ?      ? 
1 1 1   14   19   38 o   73.542   9.2777   38.814   9.2461   38.814   9.2461   0.0000   0.0000   73.542   9.2777  ?   ?       ?      ? 
1 1 1   14   20    0 o   84.415   9.4415   49.146   8.5108   47.393   9.5222   56.111   18.976   82.715   8.4952   86.115   16.864 -3.399971 18.88307 
1 1 1   14   20    1 o   36.269   10.172   6.5826   6.7913   8.9613   7.5178  -3.9717   15.836   36.690   12.561   35.847   16.002 0.8437691 20.34378 
1 1 1   14   20    2 o   44.495   10.337   14.932   7.1752   18.266   8.0166   1.5044   16.089   49.847   12.010   39.144   16.827 10.70288 20.67337 
1 1 1   14   20    3 o   61.270   8.8915   28.723   7.0008   33.166   8.8969   21.500   11.345   68.967   9.5195   53.574   15.021 15.39332 17.78306 
1 1 1   14   20    4 f   47.277   9.7109   15.578   6.5365   11.873   8.3483   21.449   10.508   40.993   13.213   53.561   14.234 -12.56831 19.42174 
1 1 1   14   20    5 o   76.364   7.6965   42.842   7.4104   47.436   9.5723   35.971   11.707   82.679   8.5435   70.050   12.804 12.62884 15.39295 
1 1 1   14   20    6 o   89.394   10.230   56.056   12.393   0.0000   0.0000   56.056   12.393  ?   ?    89.394   10.230      ?      ? 
1 1 1   14   20    7 o   47.360   11.154   15.044   8.1680   11.727   10.215   20.924   13.602   41.775   14.624   52.945   16.845 -11.17002 22.30754 
1 1 1   14   20    8 o   72.917   9.4589   41.502   7.8858   44.518   9.2383   33.404   15.138   80.046   8.5167   65.789   16.892 14.25783 18.91777 
1 1 1   14   20    9 o   68.680   10.442   39.138   8.0874   42.536   9.1488   26.988   17.299   78.196   8.6337   59.164   19.016 19.03254 20.88376 
1 1 1   14   20   10 o   79.139   9.3288   47.050   6.9525   47.667   7.5875   43.820   17.361   83.188   6.7307   75.090   17.401 8.097946 18.65762 
1 1 1   14   20   11 o   45.610   10.797   11.195   5.8447   9.4416   6.2790   22.570   15.993   36.462   11.426   54.758   18.324 -18.29617 21.59413 
1 1 1   14   20   12 o   55.264   9.9647   24.460   6.2454   25.848   6.7878   16.800   15.944   60.978   8.2143   49.550   18.158 11.42873 19.92933 
1 1 1   14   20   13 o   70.740   9.9243   43.997   7.0347   47.852   7.7669   26.397   16.597   83.262   6.8836   58.218   18.617 25.04443 19.84862 
1 1 1   14   20   14 o   70.867   10.395   44.073   8.7045   51.196   10.145   24.193   16.948   85.607   8.7447   56.127   18.862 29.47971 20.79093 
1 1 1   14   20   15 o   35.248   10.254   4.8974   7.3841   6.8348   8.5411  -0.8356   14.693   34.742   13.178   35.755   15.714 -1.012558 20.50770 
1 1 1   14   20   16 o  144.540   7.8808  151.971   15.093  173.234   20.441  126.483   22.380  156.810   9.6194  132.270   12.486 24.54013 15.76151 
1 1 1   14   20   17 o   55.608   11.860   22.786   9.4706   18.168   11.895   30.781   15.652   49.078   15.768   62.137   17.721 -13.05899 23.72036 
1 1 1   14   20   18 o   55.416   11.816   22.357   9.3728   17.247   11.660   31.690   15.758   47.937   15.629   62.895   17.727 -14.95763 23.63246 
1 1 1   14   20   19 o   41.584   11.280   7.8062   8.8154   1.9681   10.906   18.809   14.972   32.910   13.993   50.258   17.697 -17.34772 22.56081 
1 1 1   14   20   20 o   84.387   9.1829   53.317   8.3214   53.800   9.4493   51.649   17.563   87.767   7.9449   81.006   16.558 6.760521 18.36575 
1 1 1   14   20   21 o   52.707   10.618   21.755   7.2159   22.495   8.1566   19.093   15.478   55.001   11.321   50.413   17.968 4.588440 21.23666 
1 1 1   14   20   22 o   41.864   10.107   13.223   6.7376   15.718   7.5883   3.9292   14.645   45.630   12.082   38.097   16.207 7.533466 20.21427 
1 1 1   14   20   23 o   55.399   9.8339   26.741   7.3486   31.255   8.4374   12.559   14.955   66.360   9.3825   44.437   17.286 21.92313 19.66779 
1 1 1   14   20   24 o   47.025   9.0864   19.060   6.8577   25.096   7.8525  -0.3362   14.077   59.302   9.7714   34.749   15.322 24.55285 18.17288 
1 1 1   14   20   25 o   54.330   9.8146   25.779   7.2377   29.957   8.2633   12.008   15.000   64.864   9.4008   43.797   17.232 21.06680 19.62924 
1 1 1   14   20   26 o   69.137   9.6673   47.727   8.0826   59.503   9.4100   14.595   15.784   92.172   7.5337   46.102   17.806 46.06992 19.33460 
1 1 1   14   20   27 o   32.466   12.301   6.2623   7.4374   6.2623   7.4374   0.0000   0.0000   32.466   12.301  ?   ?       ?      ? 
1 1 1   14   20   28 o   35.765   12.529   8.9241   7.4989   8.9241   7.4989   0.0000   0.0000   35.765   12.529  ?   ?       ?      ? 
1 1 1   14   20   29 o   35.313   12.599   8.5500   7.6117   8.5500   7.6117   0.0000   0.0000   35.313   12.599  ?   ?       ?      ? 
1 1 1   14   20   30 o   85.829   8.2169   52.157   9.5571   52.157   9.5571   0.0000   0.0000   85.829   8.2169  ?   ?       ?      ? 
1 1 1   14   20   31 o   27.541   11.500   2.1512   7.1578   2.1512   7.1578   0.0000   0.0000   27.541   11.500  ?   ?       ?      ? 
1 1 1   14   20   32 o   60.655   9.9094   26.646   8.1452   26.646   8.1452   0.0000   0.0000   60.655   9.9094  ?   ?       ?      ? 
1 1 1   14   20   33 f   33.884   12.250   7.7863   7.2210   7.7863   7.2210   0.0000   0.0000   33.884   12.250  ?   ?       ?      ? 
1 1 1   14   21    0 o   90.261   6.4252   55.297   7.7175   44.687   9.9294   71.487   12.266   79.667   9.1973  100.855   8.9744 -21.18777 12.85034 
1 1 1   14   21    1 o   35.180   9.0274   7.3376   6.0763   12.322   7.6509  -1.1769   9.9993   40.913   12.579   29.448   12.952 11.46550 18.05474 
1 1 1   14   21    2 o   67.519   7.8029   31.751   6.8587   26.000   8.7452   40.940   11.055   59.354   11.285   75.685   10.779 -16.33043 15.60573 
1 1 1   14   21    3 o   60.346   9.6175   27.758   7.6804   29.384   10.835   26.116   10.888   62.312   13.240   58.381   13.953 3.930794 19.23493 
1 1 1   14   21    4 o  126.197   6.2631  111.216   10.658  119.860   16.068  104.424   14.243  130.421   9.0913  121.972   8.6170 8.448936 12.52612 
1 1 1   14   21    5 o   60.242   9.4234   27.426   7.7829   17.734   10.861   37.656   11.158   48.201   15.015   72.283   11.391 -24.08153 18.84684 
1 1 1   14   21    6 o   56.635   9.3217   24.763   7.5379   35.613   10.454   13.012   10.879   70.424   10.954   42.847   15.086 27.57708 18.64340 
1 1 1   14   21    7 o   35.429   9.6913   5.6872   7.5396   12.745   8.7688 -14.3266   14.767   41.649   13.552   29.208   13.857 12.44083 19.38265 
1 1 1   14   21    8 o   71.160   10.672   37.132   9.4553   32.648   11.419   46.910   16.863   65.541   13.312   76.778   16.684 -11.23750 21.34345 
1 1 1   14   21    9 o   51.009   9.7192   7.5199   8.2837  -7.6320   9.7692   46.291   15.627   25.079   11.699   76.939   15.524 -51.86013 19.43845 
1 1 1   14   21   10 o   41.173   10.858   6.8148   7.9698   0.4036   9.5161   21.876   14.585   29.738   12.863   52.607   17.496 -22.86895 21.71531 
1 1 1   14   21   11 o   47.199   11.590   15.222   8.4477   12.307   10.057   22.204   15.568   41.484   14.511   52.914   18.076 -11.43010 23.18038 
1 1 1   14   21   12 o   40.708   10.676   11.182   8.0574   15.073   9.6123   1.9871   14.776   44.568   14.159   36.848   15.983 7.719593 21.35240 
1 1 1   14   21   13 o   30.307   11.990   4.4098   7.2995   4.4098   7.2995   0.0000   0.0000   30.307   11.990  ?   ?       ?      ? 
1 1 1   14   21   14 o   59.571   10.328   30.721   7.4427   33.469   8.2951   19.372   16.856   68.722   8.9072   50.420   18.638 18.30177 20.65700 
1 1 1   14   21   15 o   33.169   9.5441   5.2379   6.2455   7.2871   7.0162  -2.5829   13.706   33.393   12.074   32.944   14.784 0.4482384 19.08819 
1 1 1   14   21   16 o   33.420   9.8961  -0.0232   6.2135  -3.2096   6.9211   13.213   14.106   22.740   10.326   44.099   16.885 -21.35906 19.79212 
1 1 1   14   21   17 o   47.159   10.211   18.006   6.7446   19.628   7.6080   12.053   14.577   50.989   11.307   43.329   17.006 7.659775 20.42183 
1 1 1   14   21   18 o   60.775   9.7068   26.509   7.9944   26.509   7.9944   0.0000   0.0000   60.775   9.7068  ?   ?       ?      ? 
1 1 1   14   21   19 o   37.307   12.260   10.210   7.1691   10.210   7.1691   0.0000   0.0000   37.307   12.260  ?   ?       ?      ? 
1 1 1   14   21   20 o   45.808   12.289   16.167   7.7862   16.167   7.7862   0.0000   0.0000   45.808   12.289  ?   ?       ?      ? 
1 1 1   14   21   21 f   18.558   8.9029  -8.4253   6.4609  -8.4253   6.4609   0.0000   0.0000   18.558   8.9029  ?   ?       ?      ? 
1 1 1   14   21   22 o   32.624   12.168   6.7068   7.2162   6.7068   7.2162   0.0000   0.0000   32.624   12.168  ?   ?       ?      ? 
1 1 1   14   21   23 o   47.449   12.041   17.389   7.7549   17.389   7.7549   0.0000   0.0000   47.449   12.041  ?   ?       ?      ? 
1 1 1   14   21   24 o   87.603   8.1613   54.458   9.6886   54.458   9.6886   0.0000   0.0000   87.603   8.1613  ?   ?       ?      ? 
1 1 1   14   21   25 o   26.964   11.355   1.7610   7.0708   1.7610   7.0708   0.0000   0.0000   26.964   11.355  ?   ?       ?      ? 
1 1 1   14   21   26 o   38.288   12.597   11.024   7.5683   11.024   7.5683   0.0000   0.0000   38.288   12.597  ?   ?       ?      ? 
1 1 1   14   21   27 o   40.202   12.805   12.424   7.8580   12.424   7.8580   0.0000   0.0000   40.202   12.805  ?   ?       ?      ? 
1 1 1   14   22    0 o   41.201   10.208   11.632   7.3525   5.8124   10.182   17.973   10.628   34.672   14.009   47.729   14.851 -13.05719 20.41579 
1 1 1   14   22    1 o   69.855   8.9994   37.379   8.2361   31.258   11.875   43.054   11.433   62.927   14.255   76.783   10.988 -13.85634 17.99877 
1 1 1   14   22    2 o   58.548   9.8307   26.771   7.6980   31.428   11.353   22.809   10.473   63.464   13.609   53.632   14.190 9.831917 19.66149 
1 1 1   14   22    3 o  102.854   6.9081   75.354   9.5687   83.468   14.560   69.185   12.695  107.539   9.9912   98.170   9.5427 9.368690 13.81625 
1 1 1   14   22    4 o   40.980   10.258   12.076   7.1815   14.974   10.359   9.3941   9.9647   44.114   14.747   37.846   14.262 6.268620 20.51574 
1 1 1   14   22    5 o   79.899   8.3008   46.996   8.4479   65.436   12.713   32.414   11.305   95.252   9.8490   64.546   13.364 30.70549 16.60153 
1 1 1   14   22    6 o   41.086   10.225   12.427   7.0860   13.519   9.8947   11.278   10.153   42.282   14.411   39.890   14.509 2.392532 20.44977 
1 1 1   14   22    7 o   75.358   8.1821   42.066   8.3290   39.616   11.980   44.358   11.587   72.923   12.123   77.794   10.991 -4.870438 16.36420 
1 1 1   14   22    8 o   28.917   12.587   0.3278   9.2276   0.3278   9.2276   0.0000   0.0000   28.917   12.587  ?   ?       ?      ? 
1 1 1   14   22    9 o   21.536   9.9146  -4.1131   6.6752  -4.1131   6.6752   0.0000   0.0000   21.536   9.9146  ?   ?       ?      ? 
1 1 1   14   22   10 o   30.783   11.973   5.2190   7.1751   5.2190   7.1751   0.0000   0.0000   30.783   11.973  ?   ?       ?      ? 
1 1 1   14   22   11 f   36.360   12.651   9.4831   7.6395   9.4831   7.6395   0.0000   0.0000   36.360   12.651  ?   ?       ?      ? 
1 1 1   14   22   12 o   43.934   12.487   14.997   7.7852   14.997   7.7852   0.0000   0.0000   43.934   12.487  ?   ?       ?      ? 
1 1 1   14   22   13 o   81.799   8.3845   47.646   9.2941   47.646   9.2941   0.0000   0.0000   81.799   8.3845  ?   ?       ?      ? 
1 1 1   14   22   14 o   38.167   12.493   10.948   7.4473   10.948   7.4473   0.0000   0.0000   38.167   12.493  ?   ?       ?      ? 
1 1 1   14   22   15 o   49.280   11.687   18.742   7.6861   18.742   7.6861   0.0000   0.0000   49.280   11.687  ?   ?       ?      ? 
1 1 1   14   22   16 o   26.009   11.102   1.0518   6.9154   1.0518   6.9154   0.0000   0.0000   26.009   11.102  ?   ?       ?      ? 
1 1 1   14   22   17 f   40.706   12.242   12.811   7.3019   12.811   7.3019   0.0000   0.0000   40.706   12.242  ?   ?       ?      ? 
1 1 1   14   22   18 f   19.404   9.2277  -7.2812   6.6241  -7.2812   6.6241   0.0000   0.0000   19.404   9.2277  ?   ?       ?      ? 
1 1 1   14   22   19 o   24.044   10.650  -1.0802   6.8775  -1.0802   6.8775   0.0000   0.0000   24.044   10.650  ?   ?       ?      ? 
1 1 1   14   22   20 o   75.516   11.953   43.064   12.232   43.064   12.232   0.0000   0.0000   75.516   11.953  ?   ?       ?      ? 
1 1 1   14   22   21 o   28.881   12.541   0.8839   9.1170   0.8839   9.1170   0.0000   0.0000   28.881   12.541  ?   ?       ?      ? 
1 1 1   14   23    0 o   65.662   10.621   34.846   9.0619   32.763   11.555   38.174   14.606   64.029   13.729   67.294   16.209 -3.265091 21.24190 
1 1 1   14   23    1 o   42.822   10.898   13.621   7.9134   11.188   10.097   17.495   12.740   39.251   14.440   46.392   16.326 -7.140873 21.79582 
1 1 1   14   23    2 o   44.338   10.230   10.378   7.9623  -0.9841   9.9679   30.411   13.235   28.698   12.762   59.978   15.992 -31.27969 20.45956 
1 1 1   14   23    3 o   89.175   13.081   61.328   15.807   0.0000   0.0000   61.328   15.807  ?   ?    89.175   13.081      ?      ? 
1 1 1   14   23    4 o   67.981   16.396   39.267   14.930   0.0000   0.0000   39.267   14.930  ?   ?    67.981   16.396      ?      ? 
1 1 1   14   23    5 o   39.692   16.073   9.7243   13.435   0.0000   0.0000   9.7243   13.435  ?   ?    39.692   16.073      ?      ? 
1 1 1   14   23    6 o   94.947   8.7608   67.104   11.099   59.182   14.253   79.306   17.690   88.428   11.894  101.465   12.866 -13.03721 17.52161 
1 1 1   14   23    7 o   27.025   12.277  -3.1437   9.7968  -3.1437   9.7968   0.0000   0.0000   27.025   12.277  ?   ?       ?      ? 
1 1 1   14   23    8 o   27.247   11.408   2.2812   7.0698   2.2812   7.0698   0.0000   0.0000   27.247   11.408  ?   ?       ?      ? 
1 1 1   14   23    9 o   63.344   9.7054   29.376   8.3311   29.376   8.3311   0.0000   0.0000   63.344   9.7054  ?   ?       ?      ? 
1 1 1   14   23   10 f   40.296   12.383   12.735   7.4161   12.735   7.4161   0.0000   0.0000   40.296   12.383  ?   ?       ?      ? 
1 1 1   14   23   11 o   28.053   11.571   3.0879   7.1200   3.0879   7.1200   0.0000   0.0000   28.053   11.571  ?   ?       ?      ? 
1 1 1   14   23   12 o   33.273   12.284   7.5800   7.3183   7.5800   7.3183   0.0000   0.0000   33.273   12.284  ?   ?       ?      ? 
1 1 1   14   23   13 o   62.941   9.5834   29.077   8.1740   29.077   8.1740   0.0000   0.0000   62.941   9.5834  ?   ?       ?      ? 
1 1 1   14   23   14 o   33.582   12.381   7.8328   7.4287   7.8328   7.4287   0.0000   0.0000   33.582   12.381  ?   ?       ?      ? 
1 1 1   14   23   15 o   43.268   12.605   15.046   7.8422   15.046   7.8422   0.0000   0.0000   43.268   12.605  ?   ?       ?      ? 
1 1 1   14   24    0 o   33.038   14.085   4.4641   11.106   4.4641   11.106   0.0000   0.0000   33.038   14.085  ?   ?       ?      ? 
1 1 1   14   24    1 o   41.890   15.405   14.515   11.490   14.515   11.490   0.0000   0.0000   41.890   15.405  ?   ?       ?      ? 
1 1 1   14   24    2 o   39.586   10.883   11.963   8.5159   14.780   11.243   8.1716   13.044   42.088   15.274   37.085   15.508 5.002720 21.76683 
1 1 1   14   24    3 o   33.926   9.9948   4.3995   8.2628   12.094   10.965  -5.7121   12.570   39.324   14.927   28.528   13.295 10.79613 19.98959 
1 1 1   14   24    4 o   51.343   11.008   23.838   9.3568   34.985   12.687   10.544   13.855   63.567   14.974   39.120   16.139 24.44668 22.01548 
1 1 1   14   24    5 o   39.849   10.654   10.583   8.3704   2.2339   11.190   21.188   12.612   31.396   13.758   48.303   16.271 -16.90730 21.30791 
1 1 1   14   24    6 o   29.835   9.1000  -2.4022   7.8464   9.9887   10.288 -19.6293   12.131   36.891   14.341   22.780   11.207 14.11135 18.20008 
1 1 1   14   24    7 o   45.670   12.463   17.217   7.9283   17.217   7.9283   0.0000   0.0000   45.670   12.463  ?   ?       ?      ? 
1 1 1   14   24    8 o   54.592   12.162   24.266   8.7673   24.266   8.7673   0.0000   0.0000   54.592   12.162  ?   ?       ?      ? 
1 1 1   14   25    0 o   32.773   9.9696   5.9164   8.0685   3.0237   11.479   8.7413   11.343   30.828   13.702   34.718   14.485 -3.889866 19.93924 
1 1 1   14   25    1 o   31.996   13.934   5.0718   11.321   5.0718   11.321   0.0000   0.0000   31.996   13.934  ?   ?       ?      ? 
1 1 1   15    0    0 o  416.268   7.9215  1175.77   44.649  1175.77   44.649   0.0000   0.0000  416.268   7.9215  416.268   7.9215 -0.000000 0.000000 
1 1 1   15    0    3 o  1033.76   16.492  7256.35  230.905  7256.35  230.905   0.0000   0.0000  1033.76   16.492  1033.76   16.492 -0.000000 0.000000 
1 1 1   15    0    4 o  968.476   15.556  6378.74  203.901  6293.94  285.612  6466.89  291.189  961.913   21.937  975.038   22.063 -0.000000 0.000000 
1 1 1   15    0    5 o  890.761   14.425  5382.62  173.698  5659.19  253.424  5137.58  238.544  912.305   20.522  869.217   20.276 -0.000000 0.000000 
1 1 1   15    0    6 o  1175.75   18.627  9405.62  296.361  9617.76  425.246  9205.28  413.248  1188.63   26.430  1162.86   26.254 -0.000000 0.000000 
1 1 1   15    0    7 o  1009.70   16.152  6934.27  220.747  6912.83  311.381  6955.94  312.991  1008.13   22.819  1011.26   22.866 -0.000000 0.000000 
1 1 1   15    0    8 o  542.803   9.5142  2001.54   69.885  2019.74   99.132  1983.56   98.536  545.263   13.434  540.344   13.476 -0.000000 0.000000 
1 1 1   15    0    9 o  1567.92   24.547 16767.14  520.984 16696.15  734.465 16839.04  739.122  1564.58   34.679  1571.25   34.751 -0.000000 0.000000 
1 1 1   15    0   10 o  1543.86   24.205 16188.79  504.694 15299.79  686.134 17236.82  744.982  1497.91   33.841  1589.82   34.616 -0.000000 0.000000 
1 1 1   15    0   11 o  635.194   15.184  2741.13  130.535  2741.13  130.535   0.0000   0.0000  635.194   15.184  635.194   15.184 -0.000000 0.000000 
1 1 1   15    0   12 o  619.878   14.887  2610.46  124.888  2610.46  124.888   0.0000   0.0000  619.878   14.887  619.878   14.887 -0.000000 0.000000 
1 1 1   15    0   13 o  835.730   19.210  4747.24  217.301  4747.24  217.301   0.0000   0.0000  835.730   19.210  835.730   19.210 -0.000000 0.000000 
1 1 1   15    0   14 o  237.238   8.3487  382.875   26.765  382.875   26.765   0.0000   0.0000  237.238   8.3487  237.238   8.3487 -0.000000 0.000000 
1 1 1   15    0   15 o  617.039   10.509  2585.05   87.724  2528.63  122.034  2645.39  126.193  610.073   14.781  624.006   14.943 -0.000000 0.000000 
1 1 1   15    0   16 o  585.282   10.095  2315.14   79.735  2162.74  107.989  2497.80  118.229  564.193   14.145  606.372   14.406 -0.000000 0.000000 
1 1 1   15    0   17 f  708.777   11.791  3413.75  113.108  3433.31  160.105  3394.27  159.813  710.810   16.642  706.743   16.708 -0.000000 0.000000 
1 1 1   15    0   18 o  685.186   11.476  3170.47  106.061  2946.74  143.056  3443.55  158.047  658.488   16.053  711.885   16.403 -0.000000 0.000000 
1 1 1   15    0   19 f  355.085   7.1695  855.918   34.406  906.221   49.480  808.825   47.875  365.213   10.015  344.957   10.262 -0.000000 0.000000 
1 1 1   15    0   20 o  320.156   6.8046  694.788   29.399  761.559   42.729  634.769   40.511  334.781   9.4354  305.531   9.8074 -0.000000 0.000000 
1 1 1   15    0   21 o  123.529   5.6663  104.355   9.3733   99.286   12.751  110.313   13.825  120.258   7.9029  126.799   8.1224 -0.000000 0.000000 
1 1 1   15    0   22 o  459.756   8.4440  1431.15   52.431  1547.46   76.723  1329.24   71.818  477.261   11.879  442.251   12.003 -0.000000 0.000000 
1 1 1   15    0   23 o  602.952   10.327  2470.83   84.267  2486.75  119.201  2454.93  119.142  604.903   14.561  601.002   14.648 -0.000000 0.000000 
1 1 1   15    0   24 o  222.376   5.9500  336.860   17.861  345.561   25.052  327.866   25.471  225.334   8.2291  219.419   8.5961 -0.000000 0.000000 
1 1 1   15    0   25 o  353.898   7.1824  851.196   34.373  846.679   48.042  855.934   49.201  352.944   10.063  354.852   10.251 -0.000000 0.000000 
1 1 1   15    0   26 o  709.081   11.807  3419.01  113.307  3406.68  159.463  3431.59  161.030  707.795   16.646  710.367   16.749 -0.000000 0.000000 
1 1 1   15    0   27 o  718.959   11.951  3511.95  116.222  3409.82  160.992  3623.10  167.954  708.053   16.800  729.865   17.002 -0.000000 0.000000 
1 1 1   15    0   28 o  320.999   6.8380  700.696   29.680  709.158   41.785  692.080   42.165  322.973   9.5660  319.026   9.7738 -0.000000 0.000000 
1 1 1   15    0   29 f  177.695   8.2714  215.459   19.819   0.0000   0.0000  215.459   19.819  177.695   8.2714  177.695   8.2714 -0.000000 0.000000 
1 1 1   15    0   30 o  316.096   9.7026  679.513   41.473   0.0000   0.0000  679.513   41.473  316.096   9.7026  316.096   9.7026 -0.000000 0.000000 
1 1 1   15    0   31 o   71.711   7.4390   36.918   6.7450   35.635   9.0727   38.504   10.085   70.403   10.116   73.018   10.910 -0.000000 0.000000 
1 1 1   15    0   32 o  229.137   6.0478  356.360   18.689  334.281   25.601  381.547   27.345  221.531   8.5570  236.742   8.5487 -0.000000 0.000000 
1 1 1   15    0   33 o  439.279   8.2371  1310.56   48.918  1381.65   70.599  1244.91   67.843  450.755   11.575  427.803   11.722 -0.000000 0.000000 
1 1 1   15    0   34 f  544.244   9.5872  2014.60   70.591  2074.67  101.049  1957.35   98.655  552.184   13.522  536.303   13.594 -0.000000 0.000000 
1 1 1   15    0   35 o  609.216   10.470  2524.19   86.264  2445.35  119.404  2610.26  124.764  599.278   14.723  619.156   14.889 -0.000000 0.000000 
1 1 1   15    0   36 o  568.914   13.995  2203.70  107.746  2203.70  107.746   0.0000   0.0000  568.914   13.995  568.914   13.995 -0.000000 0.000000 
1 1 1   15    0   37 o  147.100   8.2527  148.159   16.333  148.159   16.333   0.0000   0.0000  147.100   8.2527  147.100   8.2527 -0.000000 0.000000 
1 1 1   15    0   38 o  360.977   7.3491  886.873   35.880  896.360   50.643  877.312   50.841  362.932   10.316  359.022   10.470 -0.000000 0.000000 
1 1 1   15    0   39 o  535.140   9.4983  1947.35   68.718  1870.35   94.720  2032.91   99.846  523.986   13.359  546.293   13.506 -0.000000 0.000000 
1 1 1   15    0   40 o  482.304   8.8252  1582.10   57.551  1660.68   83.130  1509.77   79.754  493.820   12.440  470.788   12.521 -0.000000 0.000000 
1 1 1   15    0   41 o  343.689   7.2077  799.512   33.403  732.861   45.289  879.014   49.463  328.031   10.211  359.346   10.176 -0.000000 0.000000 
1 1 1   15    0   42 o  234.199   6.2421  373.845   19.743  371.650   27.628  376.136   28.223  233.505   8.7592  234.894   8.8955 -0.000000 0.000000 
1 1 1   15    0   43 o   32.601   11.324   10.638   5.9720   9.8081   8.4364   11.472   8.4550   31.324   15.901   33.878   16.126 -0.000000 0.000000 
1 1 1   15    0   44 f  203.611   6.0743  282.840   16.674  300.928   23.834  265.501   23.335  210.050   8.4037  197.172   8.7730 -0.000000 0.000000 
1 1 1   15    0   45 f  206.431   6.1076  290.894   17.014  296.741   24.007  284.994   24.116  208.545   8.5272  204.316   8.7464 -0.000000 0.000000 
1 1 1   15    0   46 o  162.915   6.0307  181.788   13.222  187.547   18.612  175.919   18.788  165.579   8.3431  160.251   8.7104 -0.000000 0.000000 
1 1 1   15    0   47 o  278.829   6.6127  529.708   24.916  517.095   34.801  542.975   35.691  275.414   9.3488  282.244   9.3547 -0.000000 0.000000 
1 1 1   15    0   48 o  128.704   8.9510  114.140   15.438   0.0000   0.0000  114.140   15.438  128.704   8.9510  128.704   8.9510 -0.000000 0.000000 
1 1 1   15    0   49 o  214.473   8.9052  314.109   25.781   0.0000   0.0000  314.109   25.781  214.473   8.9052  214.473   8.9052 -0.000000 0.000000 
1 1 1   15    0   50 o  119.957   6.5497   99.455   10.493   94.637   14.648  104.533   15.039  116.890   9.3869  123.025   9.1369 -0.000000 0.000000 
1 1 1   15    0   52 o  110.697   6.6926   85.127   9.8684   85.926   13.858   84.305   14.056  111.270   9.3422  110.123   9.5859 -0.000000 0.000000 
1 1 1   15    0   53 o  134.600   6.5978  124.249   11.787  103.376   16.062  148.607   17.351  122.109   9.8540  147.091   8.7764 -0.000000 0.000000 
1 1 1   15    0   54 o  110.585   9.5869   85.025   14.118   85.025   14.118   0.0000   0.0000  110.585   9.5869  110.585   9.5869 -0.000000 0.000000 
1 1 1   15    0   55 o   83.617   11.276   50.136   12.123   50.136   12.123   0.0000   0.0000   83.617   11.276   83.617   11.276 -0.000000 0.000000 
1 1 1   15    0   56 o  280.225   6.8129  534.987   25.739  589.451   37.319  485.571   35.547  293.898   9.3919  266.552   9.8718 -0.000000 0.000000 
1 1 1   15    0   57 o  167.138   6.3874  191.508   14.360  187.083   19.857  196.358   20.792  165.122   8.9341  169.154   9.1312 -0.000000 0.000000 
1 1 1   15    0   58 o   72.764   9.5033   39.676   8.3977   36.823   11.860   42.545   11.892   69.476   14.255   76.053   12.572 -0.000000 0.000000 
1 1 1   15    0   59 o   41.851   11.783   16.082   7.6496   25.936   10.921   6.5916   10.718   55.316   16.705   28.386   16.624 -0.000000 0.000000 
1 1 1   15    0   60 o  172.196   6.5628  203.279   15.187  188.145   20.972  219.967   22.022  165.376   9.4280  179.015   9.1319 -0.000000 0.000000 
1 1 1   15    0   61 o   43.418   19.476   18.860   12.230   0.0000   0.0000   18.860   12.230   43.418   19.476   43.418   19.476 -0.000000 0.000000 
1 1 1   15    0   62 o  132.098   9.7035  120.987   17.155  120.987   17.155   0.0000   0.0000  132.098   9.7035  132.098   9.7035 -0.000000 0.000000 
1 1 1   15    0   63 o  188.412   6.5593  243.911   16.575  275.906   23.879  214.163   23.025  200.542   8.8257  176.281   9.7059 -0.000000 0.000000 
1 1 1   15    0   64 o   89.973   8.7683   58.685   10.088   57.167   14.527   60.100   14.020   88.553   12.906   91.393   11.873 -0.000000 0.000000 
1 1 1   15    0   65 o  153.117   9.6688  162.317   19.879   0.0000   0.0000  162.317   19.879  153.117   9.6688  153.117   9.6688 -0.000000 0.000000 
1 1 1   15    0   66 o  142.886   6.8867  140.599   13.085  118.907   17.701  166.732   19.429  130.526   10.149  155.246   9.3120 -0.000000 0.000000 
1 1 1   15    0   67 o   61.951   11.136   33.186   8.5802   51.416   12.388   16.376   11.896   84.218   11.453   39.683   19.101 -0.000000 0.000000 
1 1 1   15    0   68 f  127.223   7.2201  114.324   12.070  135.298   17.107   93.533   17.032  139.572   9.1342  114.874   11.184 -0.000000 0.000000 
1 1 1   15    0   69 o  142.667   7.1528  143.919   13.434  169.184   18.828  117.713   19.175  156.227   8.9608  129.106   11.151 -0.000000 0.000000 
1 1 1   15    0   70 o   29.894   16.868   8.7166   10.448   8.7166   10.448   0.0000   0.0000   29.894   16.868   29.894   16.868 -0.000000 0.000000 
1 1 1   15    0   71 o  141.684   7.0063  140.942   13.268  145.476   18.362  135.988   19.194  144.302   9.4837  139.065   10.316 -0.000000 0.000000 
1 1 1   15    0   72 o   33.430   12.199   11.361   7.4436   6.8155   10.424   16.091   10.632   27.730   16.321   39.129   18.134 -0.000000 0.000000 
1 1 1   15    0   73 o   33.252   12.347   11.840   7.3574   12.281   10.409   11.401   10.400   33.810   17.544   32.694   17.378 -0.000000 0.000000 
1 1 1   15    0   74 o   45.586   12.528   20.477   7.8012   14.722   10.913   26.490   11.156   36.819   18.204   54.352   17.218 -0.000000 0.000000 
1 1 1   15    0   75 o   95.151   8.8851   68.194   10.174   87.635   14.464   49.155   14.314  110.935   9.7974   79.366   14.825 -0.000000 0.000000 
1 1 1   15    0   76 o   60.447   12.096   32.222   8.6356   36.024   11.859   27.931   12.600   66.703   15.037   54.192   18.952 -0.000000 0.000000 
1 1 1   15    0   77 o   52.174   12.597   26.202   8.3589   31.888   11.573   20.001   12.086   61.320   16.119   43.027   19.363 -0.000000 0.000000 
1 1 1   15    0   78 o   52.572   13.085   26.516   8.4723   27.478   11.900   25.528   12.065   54.159   18.164   50.986   18.839 -0.000000 0.000000 
1 1 1   15    0   79 o  106.435   11.280   82.849   15.851   0.0000   0.0000   82.849   15.851  106.435   11.280  106.435   11.280 -0.000000 0.000000 
1 1 1   15    0   80 o   79.761   10.396   50.142   9.9178   60.366   14.500   41.153   13.596   89.310   12.729   70.212   16.441 -0.000000 0.000000 
1 1 1   15    0   81 o   81.231   10.400   52.102   10.120   42.672   13.887   62.784   14.779   71.435   16.483   91.028   12.686 -0.000000 0.000000 
1 1 1   15    0   82 o   25.156   11.097   4.3494   7.7859   6.4697   10.718   1.9802   11.330   26.673   16.130   23.638   15.245 -0.000000 0.000000 
1 1 1   15    0   83 o   28.790   16.990   8.6512   11.349   8.6512   11.349   0.0000   0.0000   28.790   16.990   28.790   16.990 -0.000000 0.000000 
1 1 1   15    0   84 o   22.589   14.833   0.6079   11.424   0.6079   11.424   0.0000   0.0000   22.589   14.833   22.589   14.833 -0.000000 0.000000 
1 1 1   15    0   85 o   22.437   10.406  -0.1484   8.1790   5.0950   11.200  -6.1403   11.973   25.299   15.838   19.574   13.503 -0.000000 0.000000 
1 1 1   15    0   86 o   32.514   12.891   13.001   8.6770   15.809   12.251   10.176   12.291   35.353   18.839   29.675   17.602 -0.000000 0.000000 
1 1 1   15    0   87 o   19.157   9.3933  -6.4227   8.4444  -6.4455   11.575  -6.3969   12.347   18.806   13.045   19.508   13.519 -0.000000 0.000000 
1 1 1   15    0   88 o   37.720   12.205   13.883   9.5523   32.245   13.390  -5.1483   13.632   54.619   19.729   20.821   14.374 -0.000000 0.000000 
1 1 1   15    1    0 o  550.785   6.7983  2057.54   50.741  2040.57   71.613  2074.66   71.905  548.502   9.6345  553.067   9.5940 -4.564941 13.59660 
1 1 1   15    1    1 o  462.892   5.9853  1452.73   37.541  1467.34   53.532  1438.58   52.662  465.182   8.4919  460.603   8.4370 4.578979 11.97062 
1 1 1   15    1    2 o  680.962   9.8878  3171.37   86.372  3075.54  147.186  3221.70  106.670  672.832   16.143  689.091   11.423 -16.25940 19.77557 
1 1 1   15    1    3 o  760.841   10.216  3881.01   90.305  4026.85  184.922  3835.34  103.483  769.709   17.729  751.973   10.155 17.73669 20.43125 
1 1 1   15    1    4 o  680.638   9.3004  3120.84   73.885  3190.16  149.747  3098.53   84.945  685.314   16.124  675.963   9.2733 9.351318 18.60085 
1 1 1   15    1    5 o  824.100   10.987  4669.79  107.221  4492.48  209.372  4732.82  124.833  812.907   19.006  835.293   11.028 -22.38629 21.97403 
1 1 1   15    1    6 o  1012.20   11.423  6958.16  156.676  6922.51  220.861  6994.27  222.293  1009.59   16.143  1014.80   16.164 -5.216003 22.84503 
1 1 1   15    1    7 o  844.022   9.6881  4834.45  110.804  4877.85  157.602  4792.03  155.813  847.766   13.718  840.278   13.684 7.487915 19.37613 
1 1 1   15    1    8 o  767.817   8.9150  3999.80   92.757  4033.47  131.843  3966.80  130.523  771.015   12.619  764.618   12.597 6.397156 17.82994 
1 1 1   15    1    9 o  573.974   7.0286  2234.09   54.669  2229.06   77.212  2239.15   77.416  573.326   9.9380  574.621   9.9418 -1.295227 14.05719 
1 1 1   15    1   10 o  631.431   7.5633  2704.11   64.717  2704.34   91.476  2703.89   91.571  631.458   10.690  631.404   10.702 0.5401611E-01 15.12652 
1 1 1   15    1   11 o  486.769   6.1877  1606.48   40.816  1609.79   57.767  1603.19   57.679  487.268   8.7484  486.269   8.7530 0.9992371 12.37532 
1 1 1   15    1   12 o  357.009   5.0657  863.851   24.506  851.413   34.435  876.613   34.882  354.405   7.1700  359.612   7.1580 -5.206848 10.13143 
1 1 1   15    1   13 o  587.283   7.1358  2338.89   56.789  2328.90   80.051  2349.01   80.576  586.021   10.080  588.545   10.103 -2.523315 14.27155 
1 1 1   15    1   14 o  505.832   6.3642  1734.80   43.624  1723.73   61.486  1746.02   61.904  504.207   8.9988  507.457   9.0020 -3.249084 12.72844 
1 1 1   15    1   15 o  453.744   5.8874  1395.83   36.200  1393.02   51.131  1398.65   51.260  453.287   8.3239  454.201   8.3281 -0.9140625 11.77472 
1 1 1   15    1   16 o  1156.77   12.933  9091.14  202.702  8958.45  283.815  9229.30  289.600  1148.16   18.241  1165.37   18.338 -17.20996 25.86536 
1 1 1   15    1   17 o  974.783   11.029  6452.40  145.685  6427.19  205.498  6477.88  206.566  972.870   15.587  976.696   15.607 -3.826233 22.05764 
1 1 1   15    1   18 o  1051.14   23.699  7526.15  337.573  7526.15  337.573   0.0000   0.0000  1051.14   23.699  ?   ?       ?      ? 
1 1 1   15    1   19 o  527.243   8.0356  1889.91   54.210  1873.86   93.401  1898.07   66.570  525.440   13.117  529.047   9.2854 -3.606934 16.07121 
1 1 1   15    1   20 f  825.020   9.4953  4619.56  106.146  4689.03  151.530  4552.64  148.736  831.105   13.454  818.935   13.402 12.17029 18.99059 
1 1 1   15    1   21 o  655.267   7.7867  2912.78   69.139  2878.12   97.085  2948.44   98.484  651.314   11.000  659.220   11.024 -7.905884 15.57333 
1 1 1   15    1   22 o  544.457   6.7214  2010.64   49.591  2008.82   70.110  2012.47   70.155  544.210   9.5067  544.704   9.5042 -0.4937744 13.44274 
1 1 1   15    1   24 o  882.269   10.090  5287.66  120.627  5235.44  169.500  5341.25  171.705  877.859   14.248  886.679   14.290 -8.819397 20.17963 
1 1 1   15    1   25 f  563.341   8.4855  2161.50   61.161  2133.21  105.254  2175.92   75.151  560.364   13.861  566.318   9.7924 -5.954529 16.97092 
1 1 1   15    1   26 o  642.661   9.4003  2780.39   76.697  2876.95  135.589  2734.95   93.006  650.520   15.381  634.801   10.812 15.71906 18.80062 
1 1 1   15    1   27 o  471.981   6.0798  1511.07   38.886  1507.98   54.824  1514.21   55.163  471.496   8.5804  472.466   8.6158 -0.9700012 12.15958 
1 1 1   15    1   28 o  310.217   4.7467  652.526   19.954  650.986   28.111  654.091   28.329  309.849   6.6948  310.586   6.7307 -0.7368469 9.493310 
1 1 1   15    1   29 o  380.343   5.2927  981.136   27.279  986.949   38.636  975.357   38.522  381.467   7.4740  379.219   7.4961 2.247833 10.58544 
1 1 1   15    1   30 o  284.124   4.5774  547.313   17.623  539.092   24.723  555.804   25.126  281.956   6.4705  286.292   6.4763 -4.336884 9.154810 
1 1 1   15    1   31 f  260.712   6.3152  460.933   22.311   0.0000   0.0000  460.933   22.311  ?   ?   260.712   6.3152      ?      ? 
1 1 1   15    1   32 o  467.255   7.4733  1492.93   44.586  1513.08   54.770  1453.34   76.769  472.165   8.5598  462.345   12.253 9.819336 14.94658 
1 1 1   15    1   33 o  271.988   6.3909  501.756   23.556  501.756   23.556   0.0000   0.0000  271.988   6.3909  ?   ?       ?      ? 
1 1 1   15    1   34 o  174.102   4.9546  204.068   11.067  200.820   13.561  210.544   19.149  172.080   5.8155  176.124   8.0233 -4.044235 9.909266 
1 1 1   15    1   35 o  293.273   4.6659  583.517   18.543  585.075   26.181  581.948   26.268  293.667   6.5788  292.879   6.6184 0.7880554 9.331845 
1 1 1   15    1   36 o  293.243   4.6731  583.412   18.570  578.561   26.122  588.367   26.403  292.011   6.6011  294.475   6.6165 -2.463348 9.346264 
1 1 1   15    1   37 o  121.342   4.2135   99.918   6.9261  101.791   9.7318   97.995   9.8594  122.497   5.8625  120.187   6.0536 2.310532 8.427040 
1 1 1   15    1   38 o  399.249   5.4892  1082.06   29.693  1062.12   41.536  1102.89   42.465  395.490   7.7501  403.007   7.7756 -7.516327 10.97833 
1 1 1   15    1   39 o  483.672   7.6113  1585.49   46.989  1612.37   81.844  1572.28   57.390  486.358   12.418  480.987   8.8048 5.370361 15.22260 
1 1 1   15    1   40 o  444.561   7.2215  1354.79   41.219  1313.49   70.088  1376.62   50.963  439.028   11.781  450.095   8.3554 -11.06659 14.44294 
1 1 1   15    1   41 o  252.199   4.4641  431.717   15.257  431.605   21.536  431.830   21.616  252.167   6.3022  252.231   6.3242 -0.6414795E-01 8.928210 
1 1 1   15    1   42 o  286.722   4.6762  557.836   18.163  578.641   26.015  538.051   25.369  291.938   6.5759  281.506   6.6502 10.43213 9.352440 
1 1 1   15    1   43 o  292.787   4.7240  582.130   18.743  585.220   26.499  579.037   26.514  293.567   6.6610  292.008   6.7005 1.558868 9.448051 
1 1 1   15    1   44 o  187.410   5.9480  238.421   15.106  238.421   15.106   0.0000   0.0000  187.410   5.9480  ?   ?       ?      ? 
1 1 1   15    1   45 o  315.027   5.9378  660.968   23.775  715.392   42.362  635.945   28.725  324.100   9.6453  305.954   6.9282 18.14603 11.87563 
1 1 1   15    1   46 o  173.419   8.4143  204.616   19.774  204.616   19.774   0.0000   0.0000  173.419   8.4143  ?   ?       ?      ? 
1 1 1   15    1   47 f  134.774   4.3046  123.363   7.8608  124.074   11.055  122.635   11.180  135.169   6.0354  134.378   6.1392 0.7913055 8.609099 
1 1 1   15    1   48 o  122.117   4.4204  101.300   7.3141  101.469   10.266  101.127   10.423  122.223   6.1985  122.011   6.3037 0.2118149 8.840706 
1 1 1   15    1   49 o  202.941   4.3610  279.774   11.993  278.894   16.909  280.664   17.013  202.621   6.1583  203.261   6.1766 -0.6405945 8.722083 
1 1 1   15    1   50 o  240.883   4.5167  394.007   14.738  382.231   20.520  406.554   21.182  237.168   6.3847  244.597   6.3904 -7.428925 9.033343 
1 1 1   15    1   51 o  145.511   5.6949  146.260   10.215  149.363   12.213  139.038   18.634  148.268   6.0787  142.755   9.6321 5.512970 11.38982 
1 1 1   15    1   52 o  192.742   5.3149  253.624   13.115  255.294   16.128  250.361   22.537  193.823   6.1402  191.661   8.6771 2.162048 10.62989 
1 1 1   15    1   53 o  180.107   6.2045  220.482   15.143  220.482   15.143   0.0000   0.0000  180.107   6.2045  ?   ?       ?      ? 
1 1 1   15    1   54 f  127.603   4.5938  110.773   7.9377  115.736   11.229  105.815   11.223  130.471   6.3508  124.734   6.6393 5.737038 9.187692 
1 1 1   15    1   55 o  223.659   4.5180  339.776   13.684  322.728   19.016  358.082   19.705  217.841   6.4417  229.477   6.3367 -11.63551 9.036012 
1 1 1   15    1   56 o  116.267   5.8979   94.311   8.7230   85.794   14.838   98.808   10.783  112.023   9.7746  120.512   6.6027 -8.489113 11.79573 
1 1 1   15    1   57 o   95.696   7.5252   62.818   9.7398   67.501   13.807   58.180   13.741   99.287   10.262   92.104   11.009 7.182732 15.05050 
1 1 1   15    1   58 o  142.417   6.7816  139.684   12.838  174.781   18.472  106.892   17.855  159.982   8.5203  124.852   10.553 35.12997 13.56329 
1 1 1   15    1   59 o  201.872   6.5441  277.515   17.902  277.515   17.902   0.0000   0.0000  201.872   6.5441  ?   ?       ?      ? 
1 1 1   15    1   60 o  187.346   4.5809  239.038   11.627  246.027   16.580  232.275   16.311  190.046   6.4379  184.646   6.5186 5.400162 9.161767 
1 1 1   15    1   61 o  174.130   4.5754  206.559   10.790  196.666   15.083  216.927   15.442  169.849   6.5532  178.411   6.3869 -8.561737 9.150763 
1 1 1   15    1   62 o  113.941   6.1863   91.659   8.9169   81.260   15.201   97.115   11.010  108.599   10.329  119.283   6.8115 -10.68388 12.37257 
1 1 1   15    1   63 o   93.699   6.5449   59.148   7.8903   64.304   13.716   56.598   9.6462   96.491   10.490   90.907   7.8303 5.583603 13.08989 
1 1 1   15    1   64 o  158.401   9.4022  172.947   20.182  172.947   20.182   0.0000   0.0000  158.401   9.4022  ?   ?       ?      ? 
1 1 1   15    1   65 o  214.703   5.8576  327.205   16.184  355.454   20.509  280.569   26.351  227.951   6.6392  201.456   9.6522 26.49417 11.71511 
1 1 1   15    1   66 o   26.833   7.9569   0.0694   5.0585  -3.7896   7.0751   4.1049   7.2351   23.085   10.467   30.581   11.988 -7.496216 15.91388 
1 1 1   15    1   67 o   95.429   7.5886   62.668   9.8135   62.668   9.8135   0.0000   0.0000   95.429   7.5886  ?   ?       ?      ? 
1 1 1   15    1   68 o   57.567   8.9190   24.565   6.5700   25.926   8.0736   21.898   11.304   60.983   9.7696   54.151   14.925 6.832466 17.83807 
1 1 1   15    1   69 f   61.298   7.4544   27.190   5.8623   37.609   8.4957   17.720   8.0995   73.607   8.5172   48.990   12.236 24.61747 14.90878 
1 1 1   15    1   70 o  101.020   5.3299   70.634   7.2948   69.452   10.359   71.797   10.275  100.155   7.6321  101.885   7.4418 -1.730469 10.65975 
1 1 1   15    1   72 o   68.703   8.1195   33.783   7.0375   36.383   11.997   32.418   8.6896   69.619   13.199   67.786   9.4596 1.832993 16.23903 
1 1 1   15    1   73 o   47.672   8.6261   17.065   5.6406   20.515   8.1706   13.924   7.7965   52.281   11.811   43.064   12.575 9.216942 17.25219 
1 1 1   15    1   74 o  127.375   5.0110  112.891   8.6426  119.338   12.424  106.846   12.030  130.936   7.0020  123.814   7.1701 7.121887 10.02192 
1 1 1   15    1   75 o   70.114   6.5945   35.136   6.2489   37.132   8.7214   33.030   8.9579   72.321   8.8989   67.906   9.7345 4.415260 13.18909 
1 1 1   15    1   76 o   67.262   6.9177   32.549   6.3047   32.399   8.8406   32.703   8.9938   67.131   9.7179   67.393   9.8479 -0.2621536 13.83546 
1 1 1   15    1   77 o   56.066   8.8128   27.847   6.9981   9.5875   11.673   38.092   8.7435   39.085   15.253   73.047   8.8329 -33.96203 17.62557 
1 1 1   15    1   78 o   27.325   8.1007   1.2568   5.2412  -2.7279   7.5053   5.0497   7.3224   23.960   10.829   30.690   12.051 -6.730045 16.20145 
1 1 1   15    1   79 f   89.591   5.8918   57.277   7.1514   55.710   10.080   58.864   10.147   88.308   8.4236   90.875   8.2398 -2.566719 11.78352 
1 1 1   15    1   80 o   67.309   7.3812   33.756   6.5517   30.075   9.2074   37.532   9.3248   62.811   11.229   71.807   9.5827 -8.996174 14.76243 
1 1 1   15    1   81 o   78.455   9.4796   44.939   10.079   44.939   10.079   0.0000   0.0000   78.455   9.4796  ?   ?       ?      ? 
1 1 1   15    1   82 o   54.988   9.9864   26.346   7.5450   30.119   9.4300   19.633   12.578   62.201   11.615   47.774   16.249 14.42675 19.97281 
1 1 1   15    1   83 o   73.061   7.0655   39.817   6.9938   39.578   9.9703   40.048   9.8129   72.765   10.111   73.356   9.8714 -0.5918503 14.13090 
1 1 1   15    1   84 o   79.325   6.9510   47.207   7.3969   39.569   10.306   55.322   10.623   72.123   10.544   86.526   9.0599 -14.40289 13.90199 
1 1 1   15    1   85 o   42.629   10.586   14.410   7.3430   22.371   12.526   10.241   9.0638   48.928   16.211   36.329   13.620 12.59890 21.17285 
1 1 1   15    1   86 o   39.105   9.4448   12.207   6.6147   4.3430   9.3742   20.005   9.3351   30.579   12.986   47.630   13.718 -17.05031 18.88967 
1 1 1   15    1   87 o   58.993   8.9340   29.858   7.1576   40.389   10.314   20.077   9.9406   71.408   10.659   46.578   14.341 24.82983 17.86806 
1 1 1   15    1   88 o   46.929   10.037   20.909   6.9609   19.064   9.9737   22.661   9.7195   44.562   14.451   49.295   13.932 -4.732445 20.07310 
1 1 1   15    2    0 f  779.764   10.413  4106.62   95.068  4084.83  109.520  4173.23  191.482  776.018   10.414  783.511   18.034 -7.492249 20.82542 
1 1 1   15    2    1 o  890.527   11.776  5385.79  122.823  5392.60  246.339  5383.54  141.691  890.290   20.418  890.764   11.738 -0.4743652 23.55177 
1 1 1   15    2    2 o  537.589   7.7579  1971.41   48.918  1938.51   97.481  1982.48   56.554  534.418   13.460  540.760   7.7175 -6.341492 15.51581 
1 1 1   15    2    3 o  516.465   7.5323  1827.56   45.729  1772.30   90.508  1846.50   52.989  511.032   13.069  521.898   7.4924 -10.86600 15.06469 
1 1 1   15    2    4 f  588.922   8.2793  2326.53   56.645  2404.32  115.916  2302.13   64.926  595.129   14.373  582.714   8.2220 12.41565 16.55862 
1 1 1   15    2    5 o  515.608   7.4974  1811.35   45.327  1786.71   90.445  1819.61   52.380  513.126   13.007  518.091   7.4607 -4.964844 14.99476 
1 1 1   15    2    6 o  884.637   11.679  5288.33  120.592  5368.19  243.954  5262.51  138.726  888.503   20.261  880.772   11.623 7.730591 23.35827 
1 1 1   15    2    7 o  557.842   7.9650  2139.22   52.440  2052.86  102.880  2169.53   60.952  549.981   13.804  565.703   7.9509 -15.72211 15.92993 
1 1 1   15    2    8 f  360.684   5.1129  881.836   24.990  888.040   35.439  875.700   35.244  361.946   7.2253  359.422   7.2361 2.523834 10.22571 
1 1 1   15    2    9 o  1120.41   12.554  8527.96  190.605  8481.55  268.564  8575.07  270.560  1117.34   17.737  1123.48   17.771 -6.137695 25.10805 
1 1 1   15    2   10 o  772.954   12.687  4053.65  132.891  4053.65  132.891   0.0000   0.0000  772.954   12.687  ?   ?       ?      ? 
1 1 1   15    2   11 o  788.657   9.1282  4217.81   97.526  4122.65  135.872  4318.93  140.068  779.491   12.863  797.824   12.955 -18.33295 18.25637 
1 1 1   15    2   12 o  1138.69   12.761  8809.34  196.910  8763.93  277.557  8855.34  279.397  1135.74   18.034  1141.65   18.060 -5.903320 25.52194 
1 1 1   15    2   13 o  1312.60   14.624 11660.82  259.427 10967.42  351.542 12490.03  384.430  1270.01   20.426  1355.19   20.933 -85.17371 29.24767 
1 1 1   15    2   14 o  588.599   8.8173  2344.69   65.978  2333.67   80.330  2367.54  115.664  586.614   10.105  590.584   14.452 -3.970093 17.63456 
1 1 1   15    2   15 o  738.268   10.607  3718.09  100.180  3754.97  123.183  3646.07  172.158  743.945   12.219  732.591   17.341 11.35431 21.21372 
1 1 1   15    2   16 o  838.607   9.6305  4771.47  109.423  4686.66  152.984  4860.31  156.574  830.983   13.585  846.231   13.654 -15.24835 19.26096 
1 1 1   15    2   17 o  984.808   11.135  6586.68  148.596  6577.67  209.977  6595.72  210.316  984.134   15.745  985.482   15.749 -1.348816 22.26911 
1 1 1   15    2   18 o  859.817   9.8454  5018.50  114.713  5052.42  162.877  4985.10  161.589  862.699   13.932  856.934   13.915 5.764587 19.69085 
1 1 1   15    2   19 o  1266.42   14.130 10903.39  242.388 10637.26  336.724 11189.59  349.193  1250.42   19.872  1282.41   20.093 -31.99402 28.26009 
1 1 1   15    2   20 o  1096.07   15.095  8142.64  210.642  8290.49  368.835  8071.08  256.605  1102.51   24.687  1089.63   17.378 12.87927 30.19012 
1 1 1   15    2   21 o  333.792   9.7424  755.744   44.068  755.744   44.068   0.0000   0.0000  333.792   9.7424  ?   ?       ?      ? 
1 1 1   15    2   22 o  271.604   4.4796  499.892   16.485  512.769   23.561  487.544   23.072  275.030   6.3218  268.179   6.3485 6.850647 8.959281 
1 1 1   15    2   23 o  283.948   5.6128  550.650   20.396  534.738   34.942  558.874   25.119  280.776   9.1834  287.121   6.4560 -6.345062 11.22562 
1 1 1   15    2   24 o  543.191   8.2213  1986.25   56.782  2050.69  100.040  1955.63   68.969  549.470   13.435  536.912   9.4791 12.55865 16.44267 
1 1 1   15    2   25 o  683.352   8.0854  3165.94   74.826  3286.32  108.167  3055.48  103.619  695.789   11.472  670.915   11.397 24.87408 16.17078 
1 1 1   15    2   26 o  560.213   6.8899  2129.04   52.300  2100.57   73.304  2158.55   74.642  556.401   9.7220  564.024   9.7657 -7.622681 13.77990 
1 1 1   15    2   27 o  453.418   5.9102  1394.48   36.313  1387.42   51.091  1401.69   51.623  452.259   8.3362  454.577   8.3802 -2.318115 11.82033 
1 1 1   15    2   28 o  544.229   6.7458  2007.91   49.725  2085.16   71.668  1936.20   69.049  554.312   9.5408  534.146   9.5393 20.16602 13.49167 
1 1 1   15    2   29 o  447.630   7.0920  1301.10   39.718  1215.14   47.073  1513.52   73.999  423.220   8.2078  472.041   11.568 -48.82172 14.18407 
1 1 1   15    2   30 o  335.205   5.9412  741.990   25.267  706.954   30.417  819.989   45.384  322.855   6.9524  347.554   9.6361 -24.69870 11.88235 
1 1 1   15    2   31 o  344.318   5.0150  803.810   23.391  835.091   33.440  773.840   32.732  350.877   7.0328  337.758   7.1513 13.11890 10.03004 
1 1 1   15    2   32 o  404.641   5.5126  1106.26   30.163  1030.94   41.109  1194.09   44.394  389.787   7.7827  419.496   7.8093 -29.70886 11.02520 
1 1 1   15    2   33 o  230.080   4.2828  359.000   13.351  357.836   18.696  360.212   19.072  229.701   6.0063  230.459   6.1070 -0.7576294 8.565690 
1 1 1   15    2   34 o  353.534   5.1038  848.101   24.450  860.062   34.646  836.233   34.510  356.020   7.1812  351.048   7.2543 4.971802 10.20759 
1 1 1   15    2   35 o  373.840   6.5221  949.362   30.911  949.310   37.583  949.469   54.343  373.994   7.4155  373.685   10.731 0.3096924 13.04428 
1 1 1   15    2   36 o  247.063   5.5106  420.192   17.209  431.022   21.010  398.113   29.999  252.060   6.1509  242.065   9.1451 9.994919 11.02119 
1 1 1   15    2   37 f  404.329   5.5255  1110.07   30.275  1108.31   42.655  1111.85   42.976  404.010   7.7911  404.648   7.8373 -0.6384888 11.05098 
1 1 1   15    2   38 o  139.917   4.1394  133.021   7.8363  139.589   10.984  126.214   11.183  143.446   5.6507  136.388   6.0505 7.057358 8.278792 
1 1 1   15    2   39 o  233.247   4.3463  369.123   13.736  365.399   19.244  372.990   19.613  232.050   6.1198  234.445   6.1732 -2.394653 8.692541 
1 1 1   15    2   40 o  296.744   6.6754  597.780   26.844  597.780   26.844   0.0000   0.0000  296.744   6.6754  ?   ?       ?      ? 
1 1 1   15    2   41 o  338.279   5.0302  776.959   23.056  795.672   32.859  758.813   32.358  342.293   7.0840  334.265   7.1435 8.028564 10.06047 
1 1 1   15    2   42 o  314.786   6.9115  672.940   29.483   0.0000   0.0000  672.940   29.483  ?   ?   314.786   6.9115      ?      ? 
1 1 1   15    2   43 o  205.160   5.2670  288.776   13.856  277.250   23.564  294.868   17.131  201.903   8.6125  208.417   6.0655 -6.513184 10.53401 
1 1 1   15    2   44 o  246.980   4.4692  414.136   14.954  427.138   21.281  401.453   21.018  250.814   6.2611  243.146   6.3790 7.667755 8.938300 
1 1 1   15    2   45 o  188.495   4.2544  241.098   10.846  262.648   15.559  220.732   15.126  196.694   5.8373  180.296   6.1909 16.39833 8.508843 
1 1 1   15    2   46 o  164.871   4.2644  184.531   9.5262  181.790   13.330  187.391   13.619  163.622   6.0118  166.121   6.0497 -2.499207 8.528815 
1 1 1   15    2   47 o  210.271   4.3583  300.399   12.414  308.004   17.491  292.679   17.623  212.962   6.0607  207.579   6.2647 5.382187 8.716583 
1 1 1   15    2   48 o  131.698   4.4160  117.880   7.8756  119.650   10.984  116.008   11.298  132.723   6.1071  130.673   6.3802 2.050217 8.831977 
1 1 1   15    2   49 o  111.771   5.5170   83.625   7.8734   81.019   9.5689   89.089   13.854  109.191   6.4668  114.350   8.9404 -5.158386 11.03405 
1 1 1   15    2   50 o  252.943   4.6105  434.954   15.798  447.977   22.332  421.910   22.351  256.745   6.4188  249.140   6.6201 7.605453 9.220989 
1 1 1   15    2   51 o  223.615   6.2677  339.821   18.993  339.821   18.993   0.0000   0.0000  223.615   6.2677  ?   ?       ?      ? 
1 1 1   15    2   52 o  124.336   4.5799  105.074   7.7146  104.193   10.764  106.005   11.063  123.804   6.4158  124.868   6.5376 -1.064079 9.159837 
1 1 1   15    2   53 o  229.804   5.6119  357.170   16.318  352.733   19.748  366.721   28.971  227.778   6.3977  231.829   9.2217 -4.051208 11.22371 
1 1 1   15    2   54 o  122.187   6.7831  102.121   11.191  112.756   15.909   91.704   15.746  128.539   9.1333  115.835   10.031 12.70390 13.56623 
1 1 1   15    2   55 o  190.966   5.3888  239.357   13.144  275.258   23.470  222.952   15.866  200.878   8.6219  181.053   6.4667 19.82510 10.77754 
1 1 1   15    2   56 o  157.166   4.4902  168.011   9.5631  167.066   13.473  168.971   13.576  156.721   6.3439  157.611   6.3563 -0.8896942 8.980361 
1 1 1   15    2   57 o  153.551   6.4221  160.434   13.363   0.0000   0.0000  160.434   13.363  ?   ?   153.551   6.4221      ?      ? 
1 1 1   15    2   58 o  252.311   5.8124  436.598   18.725  428.476   32.290  440.713   22.984  250.213   9.5232  254.409   6.6667 -4.195587 11.62477 
1 1 1   15    2   59 o  191.533   5.5167  239.012   13.409  282.806   24.379  220.016   16.056  203.339   8.8474  179.726   6.5925 23.61292 11.03349 
1 1 1   15    2   60 o  160.049   5.6901  180.853   11.596  156.836   19.394  194.218   14.467  151.243   9.4624  168.856   6.3223 -17.61298 11.38018 
1 1 1   15    2   61 o  121.091   4.8258  100.020   7.9174   97.443   11.134  102.657   11.261  119.506   6.8750  122.675   6.7740 -3.168289 9.651519 
1 1 1   15    2   62 o  140.818   6.6076  135.318   12.609   0.0000   0.0000  135.318   12.609  ?   ?   140.818   6.6076      ?      ? 
1 1 1   15    2   63 o  114.103   4.9886   89.315   7.6651  101.254   10.880   77.549   10.801  121.765   6.5934  106.442   7.4881 15.32318 9.977195 
1 1 1   15    2   65 o  120.970   5.6898   95.049   8.9057   83.338   10.828  119.533   15.656  110.254   7.2474  131.686   8.7733 -21.43206 11.37962 
1 1 1   15    2   66 o  109.413   6.2049   84.883   8.6278   89.720   10.696   75.874   14.598  114.390   6.8998  104.436   10.315 9.954201 12.40987 
1 1 1   15    2   67 o  112.186   5.0367   86.431   7.6451   93.275   10.963   79.952   10.667  116.546   6.9416  107.826   7.2999 8.719749 10.07343 
1 1 1   15    2   68 o  103.840   7.3805   75.493   10.378   71.529   14.488   79.670   14.873  100.993   10.586  106.686   10.287 -5.692902 14.76105 
1 1 1   15    2   69 o   43.489   9.5859   14.335   6.4717   17.844   7.7529   6.2703   11.753   49.212   11.782   37.765   15.124 11.44686 19.17190 
1 1 1   15    2   70 o   57.001   7.5822   23.478   5.6775   29.908   8.1975   17.550   7.8709   65.365   9.2545   48.636   12.013 16.72902 15.16436 
1 1 1   15    2   71 o  121.062   5.0614  101.722   8.2564   88.865   11.604  114.903   11.750  113.142   7.5685  128.981   6.7223 -15.83901 10.12282 
1 1 1   15    2   72 o   44.037   8.6471   14.441   5.4157   11.392   7.5749   17.628   7.7459   39.570   12.569   48.504   11.879 -8.933792 17.29421 
1 1 1   15    2   73 o   64.900   8.2800   30.072   6.7565   34.134   11.759   28.070   8.2554   66.959   13.426   62.841   9.6942 4.117901 16.56008 
1 1 1   15    2   74 o  104.602   6.6774   78.426   8.8325   76.272   15.394   79.484   10.784  102.574   11.075  106.630   7.4633 -4.056007 13.35473 
1 1 1   15    2   75 o  142.755   6.2207  147.493   11.229  135.917   19.279  153.436   13.813  137.167   10.372  148.344   6.8713 -11.17792 12.44145 
1 1 1   15    2   76 o  126.186   5.1478  111.638   8.8024  112.979   12.513  110.324   12.385  126.940   7.2741  125.432   7.2862 1.507759 10.29568 
1 1 1   15    2   77 o   62.688   7.7154   29.493   6.2167   19.411   8.5679   40.703   9.0341   49.895   12.653   75.481   8.8322 -25.58546 15.43080 
1 1 1   15    2   78 o   58.985   8.0409   26.430   6.2441   33.465   8.9171   19.662   8.7465   67.971   9.6809   49.999   12.842 17.97152 16.08186 
1 1 1   15    2   79 o   46.880   8.8834   17.405   6.0047   23.243   8.3957   11.291   8.5917   54.928   11.641   38.833   13.422 16.09566 17.76679 
1 1 1   15    2   80 f   79.241   7.8100   44.075   8.0894   36.882   9.9587   58.026   13.869   70.710   10.393   87.772   11.661 -17.06161 15.61990 
1 1 1   15    2   81 o   45.808   8.7500   16.628   6.0368   8.2587   8.5662   24.886   8.5086   34.960   13.212   56.657   11.476 -21.69647 17.49999 
1 1 1   15    2   82 o   66.294   8.2350   35.074   6.9329   51.845   9.9451   19.218   9.6700   84.507   8.6843   48.082   13.994 36.42504 16.47004 
1 1 1   15    2   83 f   82.322   8.7381   52.934   8.8356   52.086   10.759   54.693   15.486   83.888   9.4641   80.755   14.692 3.133461 17.47621 
1 1 1   15    2   84 o   55.919   9.1134   25.752   6.8101   31.365   9.9207   20.750   9.3651   62.366   12.176   49.473   13.564 12.89256 18.22684 
1 1 1   15    2   85 o   47.476   9.7277   19.547   6.6615   22.243   9.5323   16.975   9.3132   50.791   13.585   44.162   13.927 6.628563 19.45531 
1 1 1   15    2   86 o   47.388   9.7432   19.822   6.8080   25.421   9.8367   14.675   9.4320   53.977   13.487   40.798   14.065 13.17865 19.48634 
1 1 1   15    2   87 o   41.479   13.958   15.694   9.2806   0.0000   0.0000   15.694   9.2806  ?   ?    41.479   13.958      ?      ? 
1 1 1   15    2   88 o   71.276   9.8274   44.357   8.7513   51.024   15.405   41.181   10.634   71.618   16.246   70.934   11.062 0.6843262 19.65484 
1 1 1   15    3    0 o  487.356   6.2151  1610.47   41.046  1610.12   57.992  1610.82   58.106  487.303   8.7818  487.409   8.7972 -0.1052246 12.43019 
1 1 1   15    3    1 o  648.307   7.7392  2850.39   67.986  2890.70   96.937  2811.37   95.375  652.816   10.958  643.798   10.932 9.017822 15.47839 
1 1 1   15    3    2 o  680.149   9.3001  3136.85   85.718   0.0000   0.0000  3136.85   85.718  ?   ?   680.149   9.3001      ?      ? 
1 1 1   15    3    3 o  655.430   9.5728  2906.23   79.623  2941.58  140.143  2889.38   96.756  658.181   15.712  652.678   10.939 5.503235 19.14553 
1 1 1   15    3    4 o  753.777   10.167  3849.70   89.540  3870.48  180.454  3842.91  103.132  754.784   17.643  752.770   10.110 2.014587 20.33395 
1 1 1   15    3    5 o  626.654   8.7003  2633.96   63.247  2722.92  129.713  2606.21   72.442  633.311   15.114  619.998   8.6222 13.31329 17.40057 
1 1 1   15    3    6 o  304.760   5.4402  618.867   19.123  650.189   39.710  609.409   21.820  309.655   9.4632  299.865   5.3696 9.790955 10.88045 
1 1 1   15    3    7 o  547.311   7.8347  2030.55   50.056  2034.12  100.936  2029.39   57.644  547.486   13.605  547.136   7.7746 0.3499756 15.66945 
1 1 1   15    3    8 o  355.742   5.9120  858.750   24.436  856.481   49.567  859.479   28.086  355.377   10.292  356.106   5.8202 -0.7287598 11.82405 
1 1 1   15    3    9 f  465.335   7.3860  1468.24   43.788  1469.34   76.274  1467.71   53.479  465.391   12.094  465.278   8.4817 0.1131592 14.77194 
1 1 1   15    3   10 o  677.180   8.0211  3110.29   73.605  3133.27  104.668  3087.82  103.526  679.652   11.364  674.708   11.323 4.944458 16.04223 
1 1 1   15    3   11 o  755.793   12.437  3875.50  127.377  3875.50  127.377   0.0000   0.0000  755.793   12.437  ?   ?       ?      ? 
1 1 1   15    3   12 o  847.731   13.785  4877.27  158.355  4877.27  158.355   0.0000   0.0000  847.731   13.785  ?   ?       ?      ? 
1 1 1   15    3   13 o  554.110   8.3262  2090.76   59.216  2058.32  101.198  2107.65   73.023  550.720   13.560  557.500   9.6657 -6.780212 16.65231 
1 1 1   15    3   14 o  417.504   6.7949  1190.36   36.494  1155.31   61.847  1209.08   45.203  412.701   11.059  422.308   7.8986 -9.607330 13.58971 
1 1 1   15    3   15 o  491.455   7.5769  1622.19   47.461  1685.25   83.354  1591.94   57.733  498.367   12.342  484.542   8.7925 13.82498 15.15389 
1 1 1   15    3   16 o  834.691   9.5919  4729.00  108.496  4740.03  153.634  4718.02  153.240  835.662   13.567  833.720   13.563 1.942078 19.18390 
1 1 1   15    3   18 o  775.697   8.9943  4078.47   94.479  4237.08  136.734  3933.55  130.699  790.105   12.771  761.289   12.669 28.81549 17.98853 
1 1 1   15    3   19 o  721.078   10.400  3485.93   94.648  3409.24  114.017  3655.92  169.747  708.785   11.871  733.371   17.080 -24.58594 20.80017 
1 1 1   15    3   20 o  550.410   8.3786  2050.51   58.528  2040.34   71.141  2071.82  102.955  548.459   9.5718  552.361   13.754 -3.902405 16.75721 
1 1 1   15    3   21 o  466.880   6.0283  1476.55   38.118  1423.94   52.846  1533.59   55.033  458.223   8.5105  475.536   8.5400 -17.31320 12.05652 
1 1 1   15    3   22 o  230.374   4.2281  359.764   13.199  359.370   18.550  360.168   18.784  230.247   5.9451  230.502   6.0135 -0.2542267 8.456129 
1 1 1   15    3   23 o  447.087   5.8480  1355.14   35.424  1390.68   50.618  1321.03   49.593  452.831   8.2487  441.344   8.2920 11.48685 11.69607 
1 1 1   15    3   24 o  451.318   7.0911  1327.45   40.166  1245.19   47.761  1526.17   74.235  428.485   8.2253  474.151   11.553 -45.66663 14.18225 
1 1 1   15    3   25 o  342.772   6.1070  814.964   27.065  863.235   34.142  733.342   44.397  356.801   7.0613  328.742   9.9659 28.05960 12.21400 
1 1 1   15    3   26 o  366.121   6.4589  929.115   30.529  841.343   50.339  980.179   38.396  352.066   10.551  380.175   7.4527 -28.10892 12.91777 
1 1 1   15    3   27 o  393.289   6.5818  1016.56   32.605  1138.52   59.544  964.333   38.967  409.510   10.730  377.068   7.6259 32.44217 13.16360 
1 1 1   15    3   28 o  373.999   5.2423  948.485   26.565  936.114   37.170  961.400   37.980  371.508   7.3832  376.489   7.4442 -4.980835 10.48460 
1 1 1   15    3   29 o  521.805   6.5372  1848.06   46.225  1849.56   65.202  1846.55   65.543  522.021   9.2170  521.590   9.2729 0.4314575 13.07441 
1 1 1   15    3   30 o  620.309   7.4798  2611.64   62.853  2693.29   90.322  2534.97   87.519  629.702   10.585  610.916   10.571 18.78625 14.95963 
1 1 1   15    3   31 o  184.128   4.1022  229.624   10.230  220.348   14.192  239.656   14.759  180.262   5.8096  187.995   5.7933 -7.732147 8.204497 
1 1 1   15    3   32 o  345.666   5.0380  810.650   23.596  828.045   33.458  793.437   33.282  349.359   7.0673  341.973   7.1818 7.385712 10.07596 
1 1 1   15    3   33 o  284.616   4.6043  549.408   17.755  544.270   24.821  554.792   25.408  283.255   6.4663  285.976   6.5563 -2.720306 9.208583 
1 1 1   15    3   34 o  404.299   5.5219  1107.86   30.228  1171.59   43.669  1049.22   41.883  415.451   7.7566  393.147   7.8615 22.30371 11.04390 
1 1 1   15    3   35 o  267.637   4.5138  483.669   16.331  444.237   22.264  529.593   24.027  255.883   6.4207  279.390   6.3461 -23.50763 9.027624 
1 1 1   15    3   36 o  415.220   5.6192  1170.26   31.610  1207.49   45.183  1134.57   44.238  421.690   7.9068  408.750   7.9865 12.94006 11.23842 
1 1 1   15    3   37 o  275.361   4.5757  514.661   17.070  526.020   24.095  503.216   24.187  278.417   6.3864  272.304   6.5545 6.112854 9.151355 
1 1 1   15    3   38 o  204.361   5.2674  279.031   13.456  272.063   16.070  295.377   24.614  200.243   5.9222  208.478   8.7126 -8.235214 10.53478 
1 1 1   15    3   39 o  154.512   5.9301  160.313   12.342  141.489   16.472  184.411   18.637  144.291   8.4240  164.734   8.3486 -20.44270 11.86020 
1 1 1   15    3   40 o  271.034   5.5370  494.412   19.279  513.724   33.318  484.691   23.638  274.863   8.9451  267.205   6.5282 7.658051 11.07394 
1 1 1   15    3   41 o  177.801   5.8120  214.541   14.004  214.541   14.004   0.0000   0.0000  177.801   5.8120  ?   ?       ?      ? 
1 1 1   15    3   42 o  363.547   5.2351  897.227   25.776  940.286   37.000  856.622   35.930  372.023   7.3391  355.070   7.4673 16.95288 10.47012 
1 1 1   15    3   43 o  297.104   4.7638  599.609   19.177  607.774   27.037  591.341   27.206  299.147   6.6694  295.061   6.8040 4.085999 9.527617 
1 1 1   15    3   44 o  246.367   5.4687  407.752   17.247  427.421   30.083  398.121   21.050  250.613   8.8581  242.122   6.4157 8.491516 10.93744 
1 1 1   15    3   45 o  498.526   6.4299  1686.54   43.367  1807.57   63.459  1580.49   59.402  515.253   9.0885  481.799   9.0981 33.45328 12.85982 
1 1 1   15    3   46 o  242.962   5.3376  377.533   16.401  339.872   19.516  468.070   30.260  223.679   6.4386  262.246   8.5150 -38.56619 10.67521 
1 1 1   15    3   47 o  220.555   6.1199  330.401   18.291  330.401   18.291   0.0000   0.0000  220.555   6.1199  ?   ?       ?      ? 
1 1 1   15    3   48 o  174.302   4.3014  206.349   10.155  205.664   14.126  207.081   14.608  174.009   5.9904  174.594   6.1743 -0.5848694 8.602709 
1 1 1   15    3   49 o  316.656   6.9697  681.758   29.908  681.758   29.908   0.0000   0.0000  316.656   6.9697  ?   ?       ?      ? 
1 1 1   15    3   50 o  290.355   9.9252  575.433   39.053   0.0000   0.0000  575.433   39.053  ?   ?   290.355   9.9252      ?      ? 
1 1 1   15    3   51 o  149.412   5.4012  145.420   10.388  172.698   18.346  132.546   12.604  159.201   8.5040  139.623   6.6613 19.57822 10.80237 
1 1 1   15    3   52 o  206.346   4.4889  289.522   12.548  297.181   17.716  281.810   17.776  209.095   6.2523  203.596   6.4428 5.499100 8.977783 
1 1 1   15    3   53 o  143.844   6.4518  140.691   12.576   0.0000   0.0000  140.691   12.576  ?   ?   143.844   6.4518      ?      ? 
1 1 1   15    3   54 o  198.965   4.4712  269.247   12.052  273.210   16.937  265.183   17.154  200.458   6.2349  197.472   6.4103 2.986160 8.942393 
1 1 1   15    3   55 o  347.716   6.5690  837.982   29.040  862.578   35.692  789.812   49.948  355.886   7.4007  339.547   10.855 16.33905 13.13795 
1 1 1   15    3   56 f  278.737   4.8491  529.001   18.306  550.614   25.961  507.624   25.818  284.424   6.7355  273.049   6.9776 11.37405 9.698109 
1 1 1   15    3   57 o  283.964   5.9510  554.594   21.740  537.257   36.793  563.894   26.947  280.180   9.6903  287.748   6.9106 -7.567780 11.90208 
1 1 1   15    3   58 o  200.740   5.5678  277.744   14.432  265.727   24.152  284.418   17.999  197.100   9.0424  204.380   6.4988 -7.280182 11.13551 
1 1 1   15    3   59 o  277.485   4.8664  524.797   18.294  542.424   26.022  507.573   25.723  282.109   6.8068  272.860   6.9566 9.248840 9.732751 
1 1 1   15    3   60 o  274.761   9.7348  518.327   36.246  518.327   36.246   0.0000   0.0000  274.761   9.7348  ?   ?       ?      ? 
1 1 1   15    3   61 o  239.888   5.7350  388.704   17.580  409.515   30.790  378.639   21.414  244.204   9.3042  235.571   6.7079 8.633575 11.47008 
1 1 1   15    3   62 o  163.062   4.5677  181.562   10.087  186.032   14.146  176.936   14.388  165.130   6.3215  160.994   6.5950 4.136292 9.135338 
1 1 1   15    3   63 o  119.000   5.7168   92.094   8.8097   81.285   10.728  114.475   15.437  108.979   7.2645  129.021   8.8292 -20.04169 11.43359 
1 1 1   15    3   64 o  179.483   4.6272  220.372   11.248  227.876   15.862  212.782   15.952  182.590   6.4107  176.375   6.6743 6.214966 9.254364 
1 1 1   15    3   65 o  155.786   6.5726  166.129   13.876   0.0000   0.0000  166.129   13.876  ?   ?   155.786   6.5726      ?      ? 
1 1 1   15    3   66 o   77.178   5.9549   41.126   6.2133   37.542   8.7040   44.850   8.8723   73.698   8.7152   80.658   8.1172 -6.959488 11.90977 
1 1 1   15    3   67 o  108.541   5.1123   81.104   7.5148   83.716   10.574   78.440   10.681  110.343   7.0718  106.739   7.3846 3.603615 10.22458 
1 1 1   15    3   68 o   77.161   5.9759   41.267   6.2470   40.186   8.7226   42.406   8.9510   76.123   8.4557   78.199   8.4467 -2.076279 11.95184 
1 1 1   15    3   69 o   84.779   5.7442   49.871   6.5989   50.615   9.3745   49.140   9.2905   85.411   8.0994   84.146   8.1475 1.265450 11.48831 
1 1 1   15    3   70 o  157.284   10.027  174.453   21.372   0.0000   0.0000  174.453   21.372  ?   ?   157.284   10.027      ?      ? 
1 1 1   15    3   71 o   47.722   11.282   16.301   8.5134   13.039   11.092   20.977   13.281   43.215   15.231   52.228   16.649 -9.012890 22.56447 
1 1 1   15    3   72 o   43.148   9.7603   13.220   6.2557   11.334   7.8102   16.595   10.448   39.505   12.785   46.790   14.751 -7.284931 19.52068 
1 1 1   15    3   73 o   58.980   8.7233   24.676   6.5317   33.141   11.142   20.244   8.0624   66.120   12.898   51.840   11.748 14.27951 17.44654 
1 1 1   15    3   74 o   81.677   6.1545   47.273   6.5616   32.258   8.9413   64.795   9.6591   67.111   9.8317   96.244   7.4059 -29.13390 12.30892 
1 1 1   15    3   75 o   37.847   9.5643   10.076   6.1282   7.9463   10.395   11.211   7.5867   36.842   14.389   38.851   12.604 -2.008759 19.12864 
1 1 1   15    3   76 o  121.725   5.1605  103.936   8.4964   95.620   11.854  112.721   12.184  116.601   7.5021  126.849   7.0881 -10.24737 10.32094 
1 1 1   15    3   77 o   47.815   8.9490   19.067   6.5841   27.062   8.4671   6.8380   10.472   60.035   10.805   35.594   14.269 24.44096 17.89806 
1 1 1   15    3   78 o   48.792   9.4347   19.984   6.7023   24.656   8.4507   12.063   11.004   56.834   11.369   40.750   15.060 16.08451 18.86946 
1 1 1   15    3   79 o   48.590   8.8016   18.590   5.8381   16.726   8.2134   20.493   8.3000   45.986   12.741   51.194   12.147 -5.207756 17.60324 
1 1 1   15    3   80 o   39.219   9.1320   11.882   5.6385   12.903   7.9151   10.830   8.0342   40.582   12.844   37.856   12.985 2.725784 18.26402 
1 1 1   15    3   81 o   48.416   9.0417   18.785   6.0484   21.694   8.7700   16.147   8.3527   52.090   12.568   44.743   13.002 7.347107 18.08347 
1 1 1   15    3   82 o   61.783   8.2054   30.607   6.5784   18.622   9.3255   42.478   9.2812   47.344   13.732   76.222   8.9854 -28.87767 16.41081 
1 1 1   15    3   83 o   47.106   9.2949   18.433   6.2540   14.730   8.7953   22.221   8.8945   42.147   13.560   52.064   12.716 -9.916851 18.58972 
1 1 1   15    3   84 f   42.964   10.543   13.277   7.3394   7.4084   8.9040   25.717   12.963   33.438   13.238   52.490   16.412 -19.05210 21.08544 
1 1 1   15    3   85 o   38.217   9.3258   11.297   7.2517  -4.7365   12.059   20.379   9.0760   27.884   13.005   48.549   13.370 -20.66540 18.65165 
1 1 1   15    3   86 o   71.187   9.3711   42.719   8.2718   44.522   14.403   41.832   10.104   69.030   15.746   73.345   10.166 -4.315247 18.74221 
1 1 1   15    3   87 o   35.808   9.2101   9.5473   7.2118  -6.9277   11.970   18.936   9.0360   26.127   12.419   45.489   13.604 -19.36190 18.42030 
1 1 1   15    4    0 o  739.022   10.560  3733.03  100.433  3625.41  170.067  3790.67  124.453  730.559   17.178  747.484   12.286 -16.92487 21.11987 
1 1 1   15    4    1 o  723.708   10.341  3546.59   95.684  3581.26  165.862  3529.30  117.141  726.138   16.856  721.279   11.985 4.858032 20.68196 
1 1 1   15    4    2 o  375.617   6.3351  957.861   30.689  952.549   52.058  960.690   37.993  374.778   10.250  376.455   7.4475 -1.676880 12.67012 
1 1 1   15    4    3 o  689.773   9.3865  3226.18   87.739   0.0000   0.0000  3226.18   87.739  ?   ?   689.773   9.3865      ?      ? 
1 1 1   15    4    4 o  1209.88   15.603  9938.56  255.812   0.0000   0.0000  9938.56  255.812  ?   ?   1209.88   15.603      ?      ? 
1 1 1   15    4    5 o  1073.38   13.935  7819.24  202.698   0.0000   0.0000  7819.24  202.698  ?   ?   1073.38   13.935      ?      ? 
1 1 1   15    4    6 o  669.290   11.255  3038.38  102.081   0.0000   0.0000  3038.38  102.081  ?   ?   669.290   11.255      ?      ? 
1 1 1   15    4    7 o  1436.14   32.047 14095.64  623.683   0.0000   0.0000 14095.64  623.683  ?   ?   1436.14   32.047      ?      ? 
1 1 1   15    4    8 o  1151.58   18.316  9022.01  285.580  9389.63  414.656  8690.29  393.888  1173.82   26.068  1129.34   25.737 44.47766 36.63254 
1 1 1   15    4    9 o  936.064   13.089  5973.32  156.953  5895.90  269.437  6013.08  193.099  931.005   21.356  941.122   15.141 -10.11719 26.17879 
1 1 1   15    4   10 o  491.601   7.7150  1649.27   48.522  1608.34   83.269  1670.31   59.706  486.869   12.621  496.334   8.8769 -9.465118 15.43003 
1 1 1   15    4   11 o  624.529   9.2873  2695.31   74.947  2478.88  123.917  2820.15   94.111  604.242   15.133  644.817   10.770 -40.57501 18.57467 
1 1 1   15    4   12 o  429.091   6.5837  1228.68   32.607  1286.46   67.581  1211.15   37.226  435.475   11.452  422.706   6.4987 12.76941 13.16743 
1 1 1   15    4   13 o  486.647   6.1995  1600.60   40.817  1509.06   55.850  1705.55   59.800  471.761   8.7361  501.532   8.7987 -29.77048 12.39906 
1 1 1   15    4   14 o  339.623   4.9342  781.561   22.704  763.339   31.727  800.686   32.504  335.568   6.9770  343.678   6.9791 -8.110687 9.868390 
1 1 1   15    4   15 o  447.831   5.8429  1359.22   35.451  1330.23   49.504  1389.73   50.791  442.933   8.2475  452.729   8.2787 -9.795807 11.68581 
1 1 1   15    4   16 o  488.182   6.2160  1615.96   41.120  1637.30   58.458  1595.06   57.852  491.373   8.7791  484.991   8.8024 6.381836 12.43202 
1 1 1   15    4   17 o  291.921   4.6021  577.339   18.196  604.080   26.053  551.870   25.426  298.519   6.4402  285.324   6.5758 13.19458 9.204217 
1 1 1   15    4   18 o  599.232   8.8431  2452.87   68.194  2487.80   84.473  2387.51  115.553  605.571   10.294  592.894   14.382 12.67706 17.68625 
1 1 1   15    4   19 f  520.112   7.8621  1789.53   51.644  1713.65   61.972  1961.99   93.428  502.651   9.0981  537.574   12.825 -34.92334 15.72429 
1 1 1   15    4   20 o  796.856   11.268  4342.98  115.418  4402.12  142.781  4231.48  196.057  805.152   13.086  788.559   18.347 16.59344 22.53572 
1 1 1   15    4   21 o  793.900   9.1953  4275.87   98.870  4149.94  137.018  4412.66  142.809  781.728   12.934  806.073   13.074 -24.34497 18.39061 
1 1 1   15    4   22 o  428.542   5.7023  1245.18   33.110  1277.09   47.188  1214.24   46.468  433.950   8.0244  423.133   8.1039 10.81720 11.40458 
1 1 1   15    4   23 o  524.112   8.1265  1872.10   54.158  1886.11   66.156  1843.62   94.302  527.274   9.2588  520.949   13.358 6.324585 16.25305 
1 1 1   15    4   24 o  390.810   5.3787  1035.75   28.483  1055.47   40.424  1016.32   40.140  394.506   7.5614  387.115   7.6515 7.390320 10.75737 
1 1 1   15    4   25 o  301.884   4.7039  618.005   19.241  623.212   27.097  612.710   27.328  303.169   6.5955  300.600   6.7086 2.569031 9.407749 
1 1 1   15    4   26 o  457.560   5.9727  1415.38   36.968  1526.47   54.104  1318.09   50.630  474.345   8.4169  440.776   8.4764 33.56946 11.94538 
1 1 1   15    4   27 o  551.644   6.8321  2058.29   50.983  2208.18   74.733  1927.81   69.728  570.362   9.6689  532.926   9.6551 37.43604 13.66415 
1 1 1   15    4   28 o  769.976   8.9686  4027.67   93.543  3931.93  130.062  4130.26  134.637  760.516   12.620  779.435   12.747 -18.91846 17.93730 
1 1 1   15    4   29 o  775.624   11.159  4175.83  112.207  3820.20  183.793  4387.13  141.675  748.114   18.129  803.134   13.017 -55.02014 22.31853 
1 1 1   15    4   30 o  640.323   7.7301  2752.60   66.663  3123.30  101.188  2468.34   88.609  677.940   11.014  602.706   10.849 75.23340 15.46012 
1 1 1   15    4   31 o  255.438   4.4391  442.697   15.359  458.604   21.726  426.806   21.715  260.031   6.1656  250.845   6.3882 9.185928 8.878241 
1 1 1   15    4   32 o  299.790   4.7342  609.471   19.219  643.035   27.476  577.317   26.892  307.874   6.5857  291.706   6.8030 16.16812 9.468488 
1 1 1   15    4   33 o  247.830   4.4001  416.443   14.771  409.627   20.540  423.743   21.258  245.734   6.1682  249.927   6.2766 -4.192932 8.800127 
1 1 1   15    4   34 o  408.261   5.5678  1130.79   30.790  1102.75   42.779  1160.92   44.352  403.019   7.8329  413.503   7.9150 -10.48416 11.13559 
1 1 1   15    4   35 o  277.530   5.5634  524.417   19.949  518.356   33.652  527.702   24.771  276.198   8.9910  278.862   6.5551 -2.664185 11.12686 
1 1 1   15    4   36 f  264.119   5.4818  476.589   18.743  463.935   31.359  483.622   23.378  261.284   8.8566  266.954   6.4623 -5.669647 10.96363 
1 1 1   15    4   37 o  346.466   5.0795  814.384   23.837  795.383   33.086  834.891   34.372  342.272   7.1333  350.660   7.2333 -8.387573 10.15896 
1 1 1   15    4   38 o  231.531   4.3489  363.995   13.636  370.839   19.069  356.832   19.508  233.767   6.0197  229.295   6.2782 4.472534 8.697789 
1 1 1   15    4   39 o  395.634   5.4844  1060.14   29.356  1004.50   40.152  1124.04   43.028  384.523   7.7055  406.745   7.8064 -22.22208 10.96879 
1 1 1   15    4   40 o  287.476   5.9130  569.127   21.356  581.939   25.915  542.013   37.699  292.768   6.5319  282.183   9.8585 10.58511 11.82606 
1 1 1   15    4   41 o  238.139   5.6106  388.756   16.666  394.054   20.060  376.950   29.946  240.930   6.1440  235.347   9.3897 5.583206 11.22118 
1 1 1   15    4   42 o  316.405   5.8909  663.833   23.638  634.654   28.466  728.649   42.426  305.668   6.8721  327.141   9.5700 -21.47205 11.78180 
1 1 1   15    4   43 o  268.867   5.6664  503.470   19.531  531.738   24.388  452.917   32.613  279.816   6.4316  257.918   9.3309 21.89792 11.33277 
1 1 1   15    4   44 o  174.568   5.9444  206.909   14.062  206.909   14.062   0.0000   0.0000  174.568   5.9444  ?   ?       ?      ? 
1 1 1   15    4   45 o  210.680   4.3722  301.134   12.472  294.033   17.219  308.971   18.090  208.076   6.1068  213.284   6.2588 -5.207672 8.744449 
1 1 1   15    4   46 o  326.513   7.2087  726.998   31.850  781.133   45.552  675.217   44.551  338.457   9.9316  314.569   10.451 23.88870 14.41736 
1 1 1   15    4   47 o  180.618   5.3288  220.285   12.362  226.926   21.328  216.924   15.171  182.546   8.6218  178.690   6.2650 3.856262 10.65763 
1 1 1   15    4   48 o  150.641   4.3837  154.277   8.9430  158.398   12.543  150.017   12.754  152.697   6.0616  148.585   6.3343 4.112106 8.767343 
1 1 1   15    4   49 o  320.457   5.0001  698.459   21.711  708.945   30.676  687.934   30.733  322.878   7.0109  318.037   7.1310 4.840515 10.00023 
1 1 1   15    4   50 o  205.194   6.3353  286.175   17.616   0.0000   0.0000  286.175   17.616  ?   ?   205.194   6.3353      ?      ? 
1 1 1   15    4   51 o  236.472   4.5934  380.236   14.705  402.292   20.921  358.699   20.674  243.269   6.3462  229.675   6.6424 13.59389 9.186730 
1 1 1   15    4   52 f  288.870   4.8317  567.682   18.912  572.786   26.633  562.490   26.859  290.190   6.7726  287.550   6.8929 2.639648 9.663368 
1 1 1   15    4   53 o  259.237   4.6775  456.900   16.415  486.341   23.484  428.774   22.954  267.419   6.4804  251.055   6.7469 16.36403 9.355038 
1 1 1   15    4   54 o  129.150   5.5338  112.432   9.3095  118.061   15.643  109.345   11.584  131.531   8.7760  126.768   6.7435 4.763626 11.06767 
1 1 1   15    4   55 o  170.754   5.3618  193.111   11.866  217.478   20.455  180.751   14.568  178.528   8.4551  162.980   6.5962 15.54785 10.72369 
1 1 1   15    4   56 o  224.374   4.5960  342.691   13.959  363.616   19.864  322.274   19.621  231.166   6.3410  217.582   6.6546 13.58444 9.191940 
1 1 1   15    4   57 f  226.358   5.8908  356.166   16.725  367.201   20.323  333.006   29.442  232.244   6.4573  220.473   9.8545 11.77109 11.78169 
1 1 1   15    4   58 o  215.341   4.5934  315.868   13.403  317.686   18.877  314.020   19.034  215.974   6.4500  214.708   6.5418 1.265533 9.186815 
1 1 1   15    4   59 o   80.643   5.9099   44.860   6.3003   57.628   9.0828   33.019   8.7467   91.889   7.2941   69.398   9.3007 22.49079 11.81983 
1 1 1   15    4   60 o  147.576   5.5970  150.338   10.642  153.567   13.231  144.421   17.910  150.067   6.5061  145.086   9.1091 4.980972 11.19400 
1 1 1   15    4   61 o  176.670   8.8371  214.258   21.157   0.0000   0.0000  214.258   21.157  ?   ?   176.670   8.8371      ?      ? 
1 1 1   15    4   62 o  116.347   6.1748   91.503   9.1196   97.375   16.212   88.784   11.030  118.763   10.073  113.930   7.1444 4.833611 12.34962 
1 1 1   15    4   63 o   68.427   6.5147   32.477   5.9559   39.159   8.5059   26.051   8.3422   75.484   8.3154   61.370   10.031 14.11359 13.02942 
1 1 1   15    4   64 f  189.117   4.6011  244.684   11.771  264.296   16.814  225.834   16.484  196.602   6.3110  181.631   6.6972 14.97150 9.202255 
1 1 1   15    4   65 o  128.775   4.7998  113.676   8.3756  112.233   11.782  115.150   11.909  127.947   6.7952  129.603   6.7807 -1.655441 9.599594 
1 1 1   15    4   66 o  144.779   4.7311  143.810   9.2463  161.089   13.280  127.549   12.882  153.299   6.3924  136.259   6.9765 17.03941 9.462232 
1 1 1   15    4   67 o   77.409   5.9196   41.558   6.1976   44.421   8.7555   38.683   8.7739   80.145   8.0616   74.672   8.6706 5.473198 11.83930 
1 1 1   15    4   68 o   74.417   6.0395   38.480   6.0895   39.015   8.7093   37.968   8.5177   74.915   8.5789   73.920   8.5032 0.9955292 12.07898 
1 1 1   15    4   69 o   82.507   5.8167   47.335   6.5027   48.256   9.2824   46.448   9.1125   83.296   8.2234   81.719   8.2287 1.577385 11.63342 
1 1 1   15    4   70 o  107.309   6.6130   85.244   8.8325   68.548   14.956   94.186   10.945   97.923   11.271  116.696   6.9211 -18.77259 13.22606 
1 1 1   15    4   71 o   49.476   9.3383   19.021   6.2863   16.011   10.619   20.644   7.7997   46.213   14.904   52.739   11.256 -6.526306 18.67670 
1 1 1   15    4   72 o   83.265   7.2689   48.191   7.6653   45.749   9.2262   53.633   13.773   80.671   8.4396   85.859   11.837 -5.187485 14.53783 
1 1 1   15    4   73 o  133.614   4.9588  124.535   8.9649  131.090   12.605  117.825   12.753  137.299   6.7749  129.929   7.2429 7.370056 9.917590 
1 1 1   15    4   74 o   83.636   7.9408   54.119   8.0535   42.914   13.325   60.567   10.108   74.563   13.693   92.710   8.0460 -18.14708 15.88154 
1 1 1   15    4   75 o   35.067   9.3611   6.6194   5.9119   3.7216   7.3162   12.071   10.035   29.394   11.876   40.739   14.473 -11.34514 18.72215 
1 1 1   15    4   76 o   29.951   8.8181   2.5131   6.1631  -4.6691   10.407   6.3930   7.6487   27.290   12.495   32.612   12.446 -5.322090 17.63615 
1 1 1   15    4   77 o   30.025   9.0072   1.7972   6.0684   5.1785   10.415   0.0594   7.4667   34.025   14.009   26.025   11.325 8.000492 18.01432 
1 1 1   15    4   78 o   36.043   8.5735   8.1871   5.4820   1.4236   7.5263   15.831   8.0009   27.225   11.601   44.861   12.627 -17.63560 17.14702 
1 1 1   15    4   79 o   93.679   5.8398   62.740   7.3929   56.800   10.298   69.058   10.620   88.931   8.5450   98.426   7.9621 -9.494865 11.67950 
1 1 1   15    4   80 o   78.126   6.6533   44.491   7.0300   48.445   10.145   40.839   9.7504   81.599   9.1747   74.654   9.6380 6.944298 13.30657 
1 1 1   15    4   81 o   54.753   8.7078   24.183   6.3426   19.481   9.1459   28.539   8.8036   48.708   13.425   60.799   11.094 -12.09108 17.41553 
1 1 1   15    4   82 o   46.234   9.4062   17.728   6.2072   17.446   9.0538   17.977   8.5266   45.741   13.604   46.727   12.994 -0.9855919 18.81239 
1 1 1   15    4   83 f   44.117   9.8198   17.387   7.2508   6.9315   12.331   22.913   8.9645   35.528   14.980   52.706   12.701 -17.17839 19.63954 
1 1 1   15    4   84 o   35.341   9.7150   9.1187   6.9314   3.2624   11.545   12.420   8.6674   31.995   13.998   38.687   13.475 -6.691772 19.42992 
1 1 1   15    4   85 o   31.419   9.1964   4.4304   7.0767  -6.8812   11.796   10.790   8.8452   26.455   12.502   36.383   13.491 -9.928642 18.39282 
1 1 1   15    4   86 o   38.659   11.112   13.075   9.1182   12.996   12.671   13.161   13.131   38.560   15.612   38.758   15.817 -0.1982994 22.22417 
1 1 1   15    4   87 o   41.021   11.070   16.753   8.6077   19.255   12.210   14.281   12.136   43.256   15.884   38.785   15.423 4.471283 22.13998 
1 1 1   15    5    0 o  652.719   7.7933  2889.14   68.926  2928.43   98.314  2851.16   96.660  657.081   11.041  648.357   11.002 8.724915 15.58653 
1 1 1   15    5    1 o  610.130   7.3769  2523.25   60.975  2464.50   85.029  2585.44   87.489  602.824   10.409  617.435   10.456 -14.61090 14.75374 
1 1 1   15    5    2 f  694.936   10.121  3303.85   90.160  3196.75  153.770  3359.97  111.299  686.084   16.539  703.788   11.670 -17.70380 20.24173 
1 1 1   15    5    3 o  371.415   6.5306  942.877   30.854  913.415   53.463  957.590   37.780  366.982   10.750  375.848   7.4178 -8.865753 13.06118 
1 1 1   15    5    4 o  904.830   12.719  5592.25  147.664  5469.83  252.075  5656.21  182.198  896.840   20.741  912.819   14.729 -15.97955 25.43893 
1 1 1   15    5    5 o  867.248   14.164  5112.66  166.440  5048.17  233.105  5179.73  237.725  861.681   19.963  872.816   20.099 -11.13507 28.32802 
1 1 1   15    5    6 o  639.109   10.959  2773.39   94.910  2795.86  134.372  2751.02  134.075  641.696   15.452  636.522   15.544 5.174133 21.91756 
1 1 1   15    5    7 o  431.507   8.2891  1263.12   48.464  1291.40   68.769  1235.21   68.310  436.309   11.631  426.704   11.813 9.605469 16.57813 
1 1 1   15    5    8 o  621.928   10.719  2626.07   90.333  2613.61  126.883  2638.87  128.636  620.438   15.091  623.418   15.227 -2.979431 21.43807 
1 1 1   15    5    9 o  619.247   10.701  2602.19   89.763  2553.63  124.732  2654.34  129.277  613.270   15.009  625.224   15.258 -11.95471 21.40271 
1 1 1   15    5   10 o  638.369   15.408  2767.41  133.290  2767.41  133.290   0.0000   0.0000  638.369   15.408  ?   ?       ?      ? 
1 1 1   15    5   12 o  668.901   16.020  3039.54  145.213  3039.54  145.213   0.0000   0.0000  668.901   16.020  ?   ?       ?      ? 
1 1 1   15    5   13 o  847.903   19.582  4891.00  225.006  4891.00  225.006   0.0000   0.0000  847.903   19.582  ?   ?       ?      ? 
1 1 1   15    5   14 o  502.661   9.1595  1705.14   62.201  1583.96   84.090  1851.56   92.432  483.062   12.846  522.260   13.060 -39.19702 18.31896 
1 1 1   15    5   15 o  538.818   9.5963  1970.38   70.053  2026.85  100.255  1916.51   97.924  546.361   13.541  531.276   13.602 15.08533 19.19259 
1 1 1   15    5   16 o  514.006   6.4743  1782.34   44.972  1656.94   60.949  1932.22   66.632  494.268   9.0995  533.743   9.2123 -39.47522 12.94865 
1 1 1   15    5   17 o  300.291   4.6749  609.678   18.987  665.103   27.591  559.817   26.170  313.223   6.5003  287.358   6.7204 25.86444 9.349736 
1 1 1   15    5   18 o  486.694   6.2083  1605.79   40.934  1574.18   57.052  1639.33   58.765  481.762   8.7388  491.627   8.8206 -9.864746 12.41654 
1 1 1   15    5   19 o  502.766   6.3561  1714.51   43.303  1739.27   61.466  1690.11   61.016  506.371   8.9574  499.161   9.0203 7.210297 12.71223 
1 1 1   15    5   20 o  400.168   5.4559  1085.69   29.580  1117.62   42.147  1054.69   41.525  405.968   7.6611  394.369   7.7701 11.59955 10.91177 
1 1 1   15    5   21 o  662.918   7.8873  2982.61   70.847  2950.49   99.306  3015.92  101.105  659.288   11.115  666.549   11.193 -7.261169 15.77454 
1 1 1   15    5   22 o  508.186   6.4173  1750.88   44.176  1708.28   61.437  1796.48   63.567  501.794   9.0348  514.579   9.1159 -12.78445 12.83460 
1 1 1   15    5   23 o  338.790   5.0012  774.801   22.898  858.488   33.589  702.138   31.299  355.807   6.9662  321.772   7.1779 34.03546 10.00249 
1 1 1   15    5   24 o  736.993   8.6334  3685.90   86.170  3572.29  119.320  3809.74  124.576  725.148   12.142  748.839   12.276 -23.69043 17.26675 
1 1 1   15    5   25 o  482.732   7.6344  1523.31   45.688  1442.87   53.901  1728.61   86.107  461.135   8.6255  504.329   12.599 -43.19400 15.26890 
1 1 1   15    5   26 o  574.432   8.6957  2211.61   62.843  2160.82   75.483  2326.31  113.442  564.153   9.8735  584.711   14.317 -20.55847 17.39142 
1 1 1   15    5   27 o  557.097   6.8958  2099.57   51.964  2256.47   76.212  1963.27   71.036  576.474   9.7558  537.719   9.7485 38.75507 13.79163 
1 1 1   15    5   28 o  327.052   4.9217  721.746   21.755  667.781   29.531  785.790   32.171  313.755   6.9455  340.349   6.9751 -26.59421 9.843425 
1 1 1   15    5   29 o  404.116   5.5242  1105.63   30.214  1054.64   41.481  1163.24   44.095  394.219   7.7649  414.013   7.8596 -19.79358 11.04834 
1 1 1   15    5   30 o  285.881   4.6620  552.688   18.011  614.180   26.218  497.732   24.785  300.900   6.4297  270.861   6.7525 30.03897 9.324016 
1 1 1   15    5   31 f  261.857   6.4293  465.175   22.814   0.0000   0.0000  465.175   22.814  ?   ?   261.857   6.4293      ?      ? 
1 1 1   15    5   32 o  555.083   8.3647  2048.82   58.716  2230.53  105.769  1967.88   70.593  572.054   13.644  538.112   9.6807 33.94257 16.72933 
1 1 1   15    5   33 o  356.986   5.1619  864.980   24.967  861.172   34.935  868.954   35.694  356.188   7.2376  357.783   7.3619 -1.594635 10.32377 
1 1 1   15    5   34 o  282.607   4.6338  540.807   17.726  516.061   24.377  568.573   25.822  275.764   6.5232  289.450   6.5830 -13.68640 9.267635 
1 1 1   15    5   35 o  355.834   5.1623  859.709   24.889  860.536   34.897  858.854   35.507  356.015   7.2334  355.653   7.3673 0.3616638 10.32464 
1 1 1   15    5   36 o  208.178   4.2964  294.196   12.069  330.936   17.306  259.413   16.839  220.850   5.7827  195.506   6.3559 25.34415 8.592836 
1 1 1   15    5   37 o  293.638   4.7522  578.862   18.804  512.417   25.144  663.169   28.323  274.730   6.7539  312.547   6.6873 -37.81653 9.504431 
1 1 1   15    5   38 o  499.231   6.4068  1684.78   43.211  1857.85   63.996  1539.74   58.582  522.659   9.0355  475.804   9.0857 46.85538 12.81363 
1 1 1   15    5   39 o  273.915   5.6352  519.243   19.773  540.281   24.556  480.442   33.348  282.098   6.4235  265.733   9.2606 16.36566 11.27035 
1 1 1   15    5   40 o  265.249   5.4842  472.649   18.531  462.328   22.516  494.317   32.623  260.945   6.3672  269.553   8.9311 -8.607544 10.96838 
1 1 1   15    5   41 o  218.663   4.3558  322.171   12.858  291.754   17.347  359.261   19.155  207.294   6.1751  230.032   6.1450 -22.73767 8.711671 
1 1 1   15    5   42 o  195.210   5.3940  255.109   13.088  249.367   15.570  268.931   24.158  191.647   5.9954  198.773   8.9686 -7.126312 10.78797 
1 1 1   15    5   43 o  284.487   6.8083  551.956   26.217  578.437   36.913  525.000   37.242  291.424   9.3469  277.549   9.9018 13.87503 13.61655 
1 1 1   15    5   44 o  259.135   4.6029  455.478   16.117  505.873   23.278  409.078   22.336  272.903   6.2944  245.367   6.7176 27.53610 9.205783 
1 1 1   15    5   45 o  196.030   4.3301  260.371   11.487  248.469   15.759  273.867   16.781  191.265   6.0800  200.795   6.1670 -9.530319 8.660131 
1 1 1   15    5   46 o  143.934   4.3678  139.031   8.4468  116.291   11.327  167.515   12.678  130.825   6.3893  157.044   5.9570 -26.21988 8.735550 
1 1 1   15    5   47 o   88.603   6.1502   53.787   6.9911   52.515   11.927   54.454   8.6290   87.721   10.033   89.485   7.1159 -1.764412 12.30040 
1 1 1   15    5   48 o   97.222   5.7709   60.552   7.2842   78.003   12.724   52.045   8.8840  106.987   8.7764   87.458   7.4959 19.52856 11.54187 
1 1 1   15    5   49 o  103.539   4.7316   72.820   6.6330   71.291   9.1549   74.509   9.6237  102.401   6.5973  104.676   6.7844 -2.275162 9.463206 
1 1 1   15    5   50 o  110.431   4.8401   82.756   7.2348   78.088   9.9704   87.946   10.514  107.148   6.8666  113.713   6.8232 -6.564995 9.680200 
1 1 1   15    5   51 o   65.327   8.2020   34.335   6.5182   16.048   10.331   46.428   8.4013   48.073   14.585   82.581   7.5073 -34.50832 16.40393 
1 1 1   15    5   52 o  185.465   5.3350  233.275   12.797  237.463   21.693  231.040   15.848  186.600   8.5788  184.330   6.3446 2.270615 10.67000 
1 1 1   15    5   53 o   69.109   6.1530   33.068   5.6516   39.982   7.9327   25.942   8.0538   76.609   7.6412   61.610   9.6463 14.99828 12.30607 
1 1 1   15    5   54 o   70.285   5.9978   33.646   5.6999   30.615   7.8912   36.953   8.2420   66.969   8.6954   73.602   8.2635 -6.632706 11.99560 
1 1 1   15    5   55 o   78.315   5.7509   41.782   6.0981   40.227   8.4152   43.502   8.8494   76.786   8.0872   79.845   8.1787 -3.058281 11.50189 
1 1 1   15    5   56 o  238.374   4.6608  387.010   15.051  397.429   21.266  376.553   21.306  241.606   6.4952  235.141   6.6863 6.464981 9.321689 
1 1 1   15    5   57 o  112.448   5.8663   85.960   8.5095   84.957   10.504   87.876   14.515  111.641   6.9429  113.254   9.4579 -1.612915 11.73266 
1 1 1   15    5   58 o  179.203   6.3767  218.802   15.485  218.802   15.485   0.0000   0.0000  179.203   6.3767  ?   ?       ?      ? 
1 1 1   15    5   59 o  157.298   5.9562  175.899   11.582  186.706   14.046  152.940   20.473  165.508   6.2626  149.087   10.133 16.42154 11.91238 
1 1 1   15    5   60 o   76.596   5.9467   40.193   6.1683   38.166   8.6086   42.332   8.8427   74.601   8.5154   78.590   8.3030 -3.989868 11.89336 
1 1 1   15    5   61 o  192.812   4.6001  253.861   11.995  275.962   17.148  232.690   16.784  201.077   6.2932  184.548   6.7112 16.52902 9.200250 
1 1 1   15    5   62 o  126.405   4.8719  109.324   8.3432  106.170   11.765  112.516   11.833  124.557   6.9702  128.254   6.8086 -3.697372 9.743763 
1 1 1   15    5   63 o  124.098   6.0964  107.287   9.5679  102.743   16.677  109.517   11.682  121.729   10.109  126.466   6.8164 -4.736870 12.19278 
1 1 1   15    5   64 o  152.143   5.7648  158.389   11.150  162.674   19.594  156.337   13.560  153.226   9.4366  151.061   6.6242 2.165558 11.52951 
1 1 1   15    5   65 o  105.580   5.1335   76.791   7.3168   84.859   10.390   68.853   10.306  111.168   6.8968   99.993   7.6055 11.17486 10.26692 
1 1 1   15    5   66 o   78.515   5.9077   42.690   6.2839   41.457   8.8744   43.931   8.8994   77.355   8.4658   79.675   8.2424 -2.320290 11.81548 
1 1 1   15    5   67 o   93.518   5.4897   60.495   6.9538   60.725   9.9971   60.279   9.6788   93.663   7.8764   93.374   7.6492 0.2885132 10.97940 
1 1 1   15    5   68 o  164.398   5.6535  184.661   11.954  197.177   20.699  178.399   14.642  167.928   9.0959  160.868   6.7165 7.060043 11.30698 
1 1 1   15    5   69 o   78.101   6.1491   43.280   6.3374   32.197   8.9361   54.496   8.9891   67.574   9.7586   88.629   7.4844 -21.05502 12.29824 
1 1 1   15    5   70 f   69.527   6.2726   33.932   5.9055   32.162   8.2190   35.822   8.4908   67.627   8.9684   71.428   8.7720 -3.800766 12.54510 
1 1 1   15    5   71 o   94.433   5.3709   62.438   6.8454   67.722   9.5904   56.951   9.7738   98.668   7.1726   90.198   7.9962 8.469254 10.74178 
1 1 1   15    5   72 o   69.283   6.4897   34.182   6.0694   36.017   8.3926   32.170   8.7881   71.407   8.6731   67.159   9.6562 4.248283 12.97940 
1 1 1   15    5   73 o   76.880   8.4494   41.790   8.8029   41.790   8.8029   0.0000   0.0000   76.880   8.4494  ?   ?       ?      ? 
1 1 1   15    5   74 o   78.873   7.6442   43.156   7.4420   40.171   8.7504   50.958   14.148   75.215   8.5850   82.531   12.650 -7.315727 15.28832 
1 1 1   15    5   75 o   21.021   6.9170  -5.2192   4.7901  -4.1739   6.7694  -6.2675   6.7791   21.674   9.9806   20.367   9.5795 1.307381 13.83401 
1 1 1   15    5   76 o   38.014   9.0117   10.737   5.5227   8.8318   7.9771   12.492   7.6535   35.672   12.878   40.356   12.609 -4.684647 18.02343 
1 1 1   15    5   77 f   74.745   8.6155   45.250   7.7414   34.163   12.925   51.453   9.6674   64.617   15.042   84.873   8.4054 -20.25591 17.23095 
1 1 1   15    5   78 o   73.631   10.119   44.220   9.7625   34.782   14.295   52.469   13.364   63.858   16.426   83.405   11.824 -19.54737 20.23897 
1 1 1   15    5   79 o   86.896   6.2282   54.609   7.3290   56.670   10.345   52.533   10.384   88.664   8.6102   85.129   9.0015 3.534576 12.45647 
1 1 1   15    5   80 f   54.388   8.6929   23.665   6.3199   18.117   8.8901   29.334   8.9861   47.103   13.328   61.672   11.163 -14.56827 17.38579 
1 1 1   15    5   81 o   42.206   8.3719   13.970   6.7938  -7.1855   11.192   26.315   8.5492   26.381   12.376   58.031   11.278 -31.65007 16.74379 
1 1 1   15    5   82 o   64.728   9.1777   40.363   8.0238   14.651   13.081   55.872   10.159   42.105   16.225   87.350   8.5826 -45.24495 18.35540 
1 1 1   15    5   83 o   76.697   9.1888   48.826   8.6115   45.708   14.802   50.420   10.588   71.491   15.708   81.902   9.5394 -10.41067 18.37766 
1 1 1   15    5   84 o   48.568   9.3671   22.927   7.5798   5.4532   12.986   31.957   9.3351   34.163   14.899   62.972   11.357 -28.80895 18.73418 
1 1 1   15    5   85 o   25.831   8.5703  -5.7069   7.6958 -10.3839   11.203  -1.5273   10.590   24.133   11.615   27.529   12.605 -3.395329 17.14050 
1 1 1   15    5   86 o   35.821   10.039   6.6142   8.6143  -9.1497   12.314   21.722   12.055   25.528   12.259   46.114   15.901 -20.58656 20.07775 
1 1 1   15    6    0 o  672.082   7.9942  3063.99   72.808  3076.83  103.102  3051.21  102.830  673.488   11.297  670.676   11.314 2.811584 15.98841 
1 1 1   15    6    1 o  483.958   6.2122  1586.60   40.722  1645.35   58.619  1531.79   56.614  492.610   8.7811  475.306   8.7896 17.30441 12.42435 
1 1 1   15    6    2 o  606.709   7.3600  2494.32   60.485  2579.31   87.094  2415.15   84.062  616.682   10.422  596.737   10.395 19.94531 14.71996 
1 1 1   15    6    3 o  537.548   8.2787  1954.75   56.541  1976.47   99.270  1944.32   68.789  539.635   13.575  535.461   9.4800 4.173889 16.55741 
1 1 1   15    6    4 o  446.072   8.5146  1349.91   51.463  1341.43   72.101  1358.72   73.479  444.647   11.966  447.497   12.117 -2.849915 17.02927 
1 1 1   15    6    5 o  655.210   11.201  2915.76   99.449  2938.35  140.833  2893.30  140.452  657.744   15.800  652.675   15.880 5.068909 22.40135 
1 1 1   15    6    6 o  580.237   10.200  2284.96   80.184  2347.35  114.619  2225.16  112.215  587.994   14.385  572.479   14.465 15.51471 20.39964 
1 1 1   15    6    7 o  269.830   6.7611  493.822   24.691  526.906   35.186  461.723   34.658  278.741   9.3150  260.919   9.8021 17.82233 13.52217 
1 1 1   15    6    8 o  210.396   6.4745  300.512   18.440  310.481   25.790  290.083   26.376  213.975   8.8940  206.817   9.4113 7.158310 12.94895 
1 1 1   15    6    9 o  601.236   10.468  2454.70   85.283  2434.51  119.569  2475.62  121.676  598.725   14.737  603.746   14.872 -5.020996 20.93695 
1 1 1   15    6   10 o  940.998   15.253  6029.99  194.499  5988.76  273.460  6072.21  276.695  937.755   21.519  944.242   21.624 -6.487488 30.50676 
1 1 1   15    6   11 o  1071.06   17.181  7818.31  249.245  7613.12  345.862  8040.00  359.504  1056.50   24.158  1085.63   24.437 -29.13208 34.36176 
1 1 1   15    6   12 o  906.755   14.761  5599.42  181.372  5645.77  257.344  5553.68  255.662  910.487   20.857  903.024   20.892 7.463135 29.52134 
1 1 1   15    6   13 o  289.038   6.8884  566.875   26.970  573.067   37.733  560.407   38.563  290.658   9.5797  287.418   9.9010 3.239502 13.77676 
1 1 1   15    6   14 o  854.878   14.013  4976.02  162.321  4932.86  227.747  5020.58  231.411  851.126   19.746  858.629   19.888 -7.503296 28.02567 
1 1 1   15    6   15 o  572.752   14.342  2228.83  111.314   0.0000   0.0000  2228.83  111.314  ?   ?   572.752   14.342      ?      ? 
1 1 1   15    6   17 o  466.554   12.254  1478.00   77.473  1478.00   77.473   0.0000   0.0000  466.554   12.254  ?   ?       ?      ? 
1 1 1   15    6   18 o  456.121   7.3768  1414.38   42.943  1404.57   74.393  1419.28   52.590  454.810   12.070  457.432   8.4839 -2.622437 14.75364 
1 1 1   15    6   19 o  308.146   4.7338  643.634   19.763  635.063   27.606  652.646   28.307  306.043   6.6563  310.248   6.7328 -4.205444 9.467669 
1 1 1   15    6   20 o  230.083   4.2594  358.841   13.277  356.220   18.544  361.599   19.019  229.222   5.9697  230.943   6.0771 -1.721817 8.518773 
1 1 1   15    6   21 o  240.468   4.3169  392.181   14.063  401.963   19.825  382.274   19.951  243.489   6.0082  237.446   6.2003 6.042999 8.633795 
1 1 1   15    6   22 f  444.100   5.8531  1334.31   35.174  1266.26   48.206  1411.78   51.438  432.028   8.2340  456.172   8.3210 -24.14417 11.70629 
1 1 1   15    6   23 o  246.011   4.3728  410.495   14.572  414.860   20.385  405.933   20.839  247.352   6.0814  244.670   6.2850 2.682022 8.745567 
1 1 1   15    6   24 o  183.800   4.0887  229.342   10.171  237.452   14.211  220.824   14.565  187.140   5.6035  180.461   5.9558 6.679077 8.177468 
1 1 1   15    6   25 o  314.961   4.8577  668.757   20.651  758.445   30.455  592.422   28.097  334.396   6.7206  295.526   7.0158 38.87085 9.715353 
1 1 1   15    6   26 o  341.203   6.1240  807.259   27.197  724.612   43.901  858.732   34.646  326.629   9.9184  355.777   7.1860 -29.14859 12.24795 
1 1 1   15    6   27 o  264.123   6.4941  477.094   23.048  540.826   32.308  411.045   32.890  282.258   8.4466  245.988   9.8666 36.26990 12.98823 
1 1 1   15    6   28 o  182.929   4.1333  225.131   10.204  201.733   13.766  253.657   15.200  172.464   5.8903  193.393   5.8000 -20.92880 8.266589 
1 1 1   15    6   29 o  248.075   4.4235  417.448   14.836  456.422   21.232  380.261   20.739  259.399   6.0400  236.751   6.4643 22.64818 8.847010 
1 1 1   15    6   30 o  277.478   4.6005  522.283   17.275  560.377   24.689  485.744   24.180  287.398   6.3392  267.557   6.6688 19.84036 9.201026 
1 1 1   15    6   31 o  291.076   4.6971  572.153   18.482  531.836   25.122  619.719   27.288  279.954   6.6220  302.197   6.6634 -22.24347 9.394281 
1 1 1   15    6   32 o  344.885   6.1998  780.807   27.019  883.484   49.139  736.313   32.348  360.433   10.061  329.336   7.2481 31.09644 12.39962 
1 1 1   15    6   33 o  208.448   5.2499  291.371   14.030  306.239   24.415  284.040   17.142  212.301   8.4863  204.594   6.1830 7.706543 10.49979 
1 1 1   15    6   34 o  273.504   5.4536  488.007   18.910  454.662   22.659  564.505   34.320  258.821   6.4604  288.188   8.7881 -29.36679 10.90722 
1 1 1   15    6   35 o  318.893   6.0540  714.380   24.877  779.384   31.589  608.233   40.366  338.811   6.8801  298.974   9.9633 39.83701 12.10797 
1 1 1   15    6   36 f  232.097   4.4228  363.481   13.869  336.283   18.763  396.237   20.591  222.585   6.2204  241.608   6.2890 -19.02354 8.845626 
1 1 1   15    6   37 o  183.167   4.2434  228.086   10.516  238.751   14.711  216.941   15.038  187.564   5.7876  178.770   6.2073 8.793640 8.486855 
1 1 1   15    6   38 o  245.877   6.5272  409.294   21.679  386.370   29.262  437.185   32.276  238.303   9.0613  253.451   9.3974 -15.14746 13.05444 
1 1 1   15    6   39 o  247.964   5.4856  408.885   17.428  445.428   30.602  391.345   21.201  255.870   8.8258  240.058   6.5173 15.81192 10.97128 
1 1 1   15    6   40 o  259.730   4.5831  458.347   16.118  481.172   22.837  435.693   22.751  266.189   6.3308  253.270   6.6288 12.91905 9.166193 
1 1 1   15    6   41 o  242.512   4.4898  399.005   14.744  389.111   20.373  409.885   21.365  239.365   6.2807  245.659   6.4177 -6.294250 8.979634 
1 1 1   15    6   42 o  214.912   4.3902  314.039   12.722  355.334   18.205  274.626   17.785  228.762   5.8725  201.061   6.5275 27.70081 8.780315 
1 1 1   15    6   43 o  219.372   5.5568  327.359   15.112  327.354   18.041  327.372   27.665  219.544   6.0639  219.200   9.3134 0.3439789 11.11351 
1 1 1   15    6   44 o  138.838   5.5705  128.975   9.3940  126.330   11.006  136.071   18.028  136.383   5.9552  141.292   9.4158 -4.908936 11.14096 
1 1 1   15    6   45 o  203.671   4.3554  282.006   12.008  286.592   16.686  277.080   17.294  205.404   5.9947  201.938   6.3198 3.465637 8.710730 
1 1 1   15    6   46 o  206.546   4.4058  290.160   12.302  315.558   17.490  265.290   17.307  215.523   5.9884  197.570   6.4641 17.95313 8.811681 
1 1 1   15    6   47 o  253.139   4.6138  433.242   15.782  394.498   21.477  478.721   23.269  240.896   6.5790  265.383   6.4703 -24.48622 9.227573 
1 1 1   15    6   48 o  130.124   5.3496  113.153   9.1062  123.136   15.261  107.633   11.348  134.434   8.3769  125.815   6.6558 8.618286 10.69915 
1 1 1   15    6   49 o  127.152   5.7318  105.700   9.2823  123.070   16.710   97.948   11.163  134.305   9.1810  119.999   6.8648 14.30583 11.46369 
1 1 1   15    6   50 o  102.677   4.9489   71.287   6.8512   61.946   9.3264   82.237   10.098   95.403   7.2139  109.951   6.7770 -14.54820 9.897889 
1 1 1   15    6   51 o  152.210   4.4667  157.470   9.2063  155.796   12.743  159.297   13.315  151.373   6.2122  153.047   6.4199 -1.673309 8.933489 
1 1 1   15    6   52 o  151.114   4.5364  155.676   9.2644  167.838   13.046  143.304   13.158  157.107   6.1278  145.122   6.6908 11.98552 9.072871 
1 1 1   15    6   53 o  142.235   4.6143  137.958   8.8699  148.813   12.500  126.950   12.588  147.909   6.2364  136.561   6.8024 11.34726 9.228509 
1 1 1   15    6   54 o  170.645   5.4979  204.642   12.018  219.582   15.078  178.617   19.901  179.648   6.1937  161.642   9.0854 18.00595 10.99574 
1 1 1   15    6   55 o  136.076   5.5943  129.071   9.7424  135.224   12.116  117.814   16.388  140.939   6.3437  131.213   9.2163 9.725800 11.18850 
1 1 1   15    6   56 o   66.215   7.0453   30.748   5.8697   19.206   7.9735   44.403   8.6726   51.800   11.642   80.630   7.9372 -28.82974 14.09052 
1 1 1   15    6   57 o   85.849   5.5408   50.096   6.4207   44.336   8.7621   56.776   9.4359   80.529   8.0292   91.168   7.6376 -10.63869 11.08156 
1 1 1   15    6   58 o   61.868   7.0155   26.796   5.7270   28.777   7.9756   24.687   8.2288   64.758   9.0884   58.977   10.690 5.781204 14.03099 
1 1 1   15    6   59 o   92.103   5.4192   58.085   6.7580   58.948   9.4080   57.164   9.7137   92.832   7.4785   91.374   7.8448 1.458458 10.83834 
1 1 1   15    6   60 o  161.152   6.0327  186.643   12.014  201.085   14.642  156.891   21.016  171.632   6.2955  150.671   10.293 20.96063 12.06545 
1 1 1   15    6   61 o  161.227   4.6642  177.715   10.190  176.754   14.306  178.706   14.518  160.791   6.5654  161.663   6.6269 -0.8718872 9.328487 
1 1 1   15    6   63 o  145.190   4.7262  144.471   9.2989  144.781   13.178  144.164   13.123  145.344   6.6907  145.037   6.6771 0.3065338 9.452477 
1 1 1   15    6   64 o  119.896   5.0309   99.205   8.1332   88.751   11.578  109.388   11.427  113.535   7.5255  126.258   6.6789 -12.72398 10.06187 
1 1 1   15    6   65 o   72.847   8.5835   36.796   8.4734   0.0000   0.0000   36.796   8.4734  ?   ?    72.847   8.5835      ?      ? 
1 1 1   15    6   66 f  136.243   4.8555  127.403   8.9095  148.209   13.000  108.973   12.235  146.801   6.5347  125.685   7.1834 21.11591 9.711017 
1 1 1   15    6   67 o  124.073   4.9353  106.294   8.2908  111.955   11.785  100.746   11.666  127.394   6.8266  120.751   7.1292 6.642876 9.870509 
1 1 1   15    6   68 o   99.367   5.2958   68.502   7.1303   67.091   10.028   69.945   10.140   98.320   7.5268  100.413   7.4518 -2.092682 10.59157 
1 1 1   15    6   69 o   30.812   8.4506   4.4774   5.1316   1.9133   7.1125   7.2611   7.4109   27.629   11.494   33.995   12.391 -6.365627 16.90129 
1 1 1   15    6   70 o   33.410   9.1518   5.5929   5.7437   3.9214   7.2135   8.4883   9.4939   29.762   11.873   37.059   13.930 -7.296885 18.30351 
1 1 1   15    6   71 o   71.722   6.4031   36.459   6.2214   36.039   8.6720   36.903   8.9305   71.326   8.9720   72.118   9.1380 -0.7916260 12.80624 
1 1 1   15    6   72 f   32.659   8.3343   5.6396   5.1620  -0.1670   7.1939   11.802   7.4112   25.609   11.130   39.709   12.408 -14.09975 16.66864 
1 1 1   15    6   73 o   87.331   5.7278   53.766   6.7714   51.069   9.3298   56.768   9.8432   85.023   8.0976   89.639   8.1032 -4.616272 11.45568 
1 1 1   15    6   74 f   72.483   6.5658   37.550   6.4218   33.086   8.8051   42.623   9.3864   67.765   9.5884   77.200   8.9722 -9.435318 13.13152 
1 1 1   15    6   75 o   71.644   8.2296   35.287   7.5181   30.082   8.9824   47.463   13.738   64.188   10.327   79.101   12.817 -14.91338 16.45923 
1 1 1   15    6   76 o  102.470   5.5638   74.532   7.7240   76.096   10.897   72.953   10.950  103.614   7.7605  101.327   7.9748 2.287140 11.12760 
1 1 1   15    6   77 o   67.867   7.4659   34.476   6.5925   27.605   9.2029   41.719   9.4482   59.804   11.775   75.929   9.1824 -16.12462 14.93188 
1 1 1   15    6   78 o   45.710   9.8820   17.522   6.9279   11.679   11.312   21.029   8.7635   40.043   15.171   51.376   12.667 -11.33315 19.76405 
1 1 1   15    6   79 f   89.848   8.6956   58.508   10.587   0.0000   0.0000   58.508   10.587  ?   ?    89.848   8.6956      ?      ? 
1 1 1   15    6   80 o   34.139   9.7025   6.8281   6.6400   8.1413   11.118   6.1001   8.2784   36.165   14.630   32.113   12.748 4.052490 19.40507 
1 1 1   15    6   81 o   33.970   9.9638   5.5259   7.7853   0.0536   11.220   10.607   10.812   30.097   13.450   37.843   14.704 -7.745157 19.92757 
1 1 1   15    6   82 o   21.320   7.2940 -10.4310   6.1451 -11.1120   10.200 -10.0430   7.6992   23.012   11.078   19.627   9.4917 3.385136 14.58801 
1 1 1   15    6   83 o   47.879   11.395   21.829   8.7443   22.292   12.540   21.391   12.199   48.258   16.225   47.499   16.003 0.7595596 22.78914 
1 1 1   15    6   84 o   50.983   9.6961   21.533   8.9393  -0.2920   12.399   45.158   12.900   29.993   13.697   71.974   13.727 -41.98096 19.39215 
1 1 1   15    6   85 o   31.881   9.9673   4.3364   8.5157   2.2201   12.189   6.3539   11.902   30.708   13.847   33.054   14.341 -2.346294 19.93464 
1 1 1   15    7    0 o  487.394   6.2574  1610.47   41.323  1585.26   57.854  1636.73   59.044  483.502   8.8299  491.287   8.8686 -7.785004 12.51473 
1 1 1   15    7    1 o  650.544   7.8055  2866.40   68.753  2999.71   99.693  2745.50   94.943  664.941   11.064  636.146   11.013 28.79468 15.61094 
1 1 1   15    7    2 o  608.656   7.3867  2512.64   60.921  2553.54   86.798  2472.93   85.528  613.538   10.440  603.775   10.453 9.762573 14.77349 
1 1 1   15    7    3 o  345.579   5.0688  809.514   23.734  829.965   33.775  789.564   33.359  349.891   7.1232  341.267   7.2133 8.624573 10.13765 
1 1 1   15    7    4 o  746.491   8.7502  3782.12   88.516  3805.66  125.443  3758.77  124.920  748.805   12.362  744.176   12.387 4.629395 17.50043 
1 1 1   15    7    5 o  807.484   11.527  4421.75  118.575  4459.46  206.945  4403.32  144.679  809.628   18.862  805.339   13.257 4.289185 23.05472 
1 1 1   15    7    6 o  697.184   11.823  3301.90  111.655  3228.62  155.150  3380.62  160.809  689.180   16.613  705.187   16.828 -16.00677 23.64627 
1 1 1   15    7    7 o  558.188   9.9561  2116.18   75.308  2121.02  106.150  2111.27  106.857  558.837   14.017  557.539   14.143 1.297729 19.91229 
1 1 1   15    7    8 o  452.238   8.6481  1387.97   52.988  1428.80   75.538  1348.42   74.350  458.789   12.150  445.687   12.310 13.10181 17.29621 
1 1 1   15    7    9 o  680.824   11.593  3151.48  106.955  3159.19  150.958  3143.70  151.558  681.668   16.342  679.980   16.448 1.688232 23.18564 
1 1 1   15    7   10 o  759.490   12.689  3925.02  130.600  3926.74  184.224  3923.28  185.172  759.667   17.895  759.314   17.996 0.3521729 25.37894 
1 1 1   15    7   11 o  478.354   8.9348  1553.42   57.909  1534.94   81.003  1572.74   82.818  475.450   12.572  481.258   12.699 -5.807648 17.86961 
1 1 1   15    7   12 o  395.924   7.9728  1063.80   42.770  1053.49   59.849  1074.55   61.142  393.969   11.210  397.879   11.340 -3.909393 15.94554 
1 1 1   15    7   13 o  483.704   8.9984  1588.99   58.981  1601.27   83.311  1576.65   83.513  485.583   12.661  481.824   12.790 3.759613 17.99687 
1 1 1   15    7   14 o  325.768   7.2588  719.787   32.031  707.598   44.509  732.880   46.131  322.914   10.171  328.622   10.359 -5.708862 14.51768 
1 1 1   15    7   15 o  473.137   8.8839  1516.69   56.886  1622.64   82.725  1421.64   78.350  488.780   12.489  457.493   12.638 31.28705 17.76788 
1 1 1   15    7   16 o  686.122   11.661  3198.23  108.317  3078.16  149.247  3331.87  157.449  672.559   16.375  699.685   16.606 -27.12561 23.32166 
1 1 1   15    7   17 o  620.510   10.764  2616.94   90.471  2711.16  130.088  2528.67  125.905  631.321   15.206  609.698   15.239 21.62244 21.52732 
1 1 1   15    7   18 o  510.067   9.3370  1765.53   64.483  1864.16   93.225  1675.04   89.289  523.713   13.136  496.421   13.273 27.29169 18.67398 
1 1 1   15    7   19 o  615.305   10.597  2576.78   88.337  2605.12  123.937  2547.52  125.942  618.781   14.780  611.830   15.190 6.950989 21.19406 
1 1 1   15    7   20 o  596.886   10.396  2425.61   84.045  2509.41  118.598  2341.08  119.119  607.297   14.411  586.475   14.988 20.82220 20.79229 
1 1 1   15    7   21 o  406.499   7.6495  1114.25   41.984  1013.69   56.655  1236.73   62.526  386.304   10.823  426.693   10.813 -40.38937 15.29899 
1 1 1   15    7   22 o  307.713   4.7795  642.289   19.927  645.037   27.960  639.452   28.407  308.385   6.6905  307.041   6.8273 1.344330 9.559014 
1 1 1   15    7   23 o  224.294   5.9387  341.164   18.051  341.164   18.051   0.0000   0.0000  224.294   5.9387  ?   ?       ?      ? 
1 1 1   15    7   24 o  305.605   4.7800  633.584   19.792  634.578   27.717  632.550   28.271  305.853   6.6872  305.357   6.8320 0.4967957 9.560053 
1 1 1   15    7   25 o  333.218   4.9967  746.859   22.465  674.375   30.194  836.748   33.624  315.264   7.0674  351.173   7.0655 -35.90909 9.993433 
1 1 1   15    7   26 o  519.284   6.5756  1820.60   46.131  2004.95   68.354  1666.40   62.513  543.280   9.2845  495.289   9.3139 47.99118 13.15111 
1 1 1   15    7   27 o  326.115   4.9406  721.903   21.828  736.488   30.741  707.072   30.999  329.445   6.8858  322.785   7.0868 6.660553 9.881124 
1 1 1   15    7   28 o  464.782   7.5603  1460.85   44.202  1446.81   53.256  1491.93   79.249  461.536   8.5149  468.027   12.495 -6.491516 15.12052 
1 1 1   15    7   29 o  310.873   5.8724  670.859   23.561  708.373   29.633  606.383   38.848  323.075   6.7684  298.670   9.5983 24.40515 11.74472 
1 1 1   15    7   30 o  195.030   5.0285  262.253   12.637  272.039   15.778  244.738   21.108  200.247   5.8142  189.814   8.2060 10.43253 10.05701 
1 1 1   15    7   31 o  273.908   5.4858  506.053   19.252  498.969   23.569  520.255   33.372  271.150   6.4144  276.666   8.9012 -5.516052 10.97159 
1 1 1   15    7   32 o  170.160   4.2019  196.945   9.6654  209.046   13.518  184.287   13.825  175.531   5.6829  164.788   6.1911 10.74260 8.403863 
1 1 1   15    7   33 o  231.297   5.4594  364.728   16.225  359.310   27.668  367.567   20.030  229.886   8.8813  232.708   6.3516 -2.821381 10.91882 
1 1 1   15    7   34 o  325.094   7.2234  720.059   31.796  748.336   44.764  691.262   45.173  331.579   9.9623  318.609   10.463 12.96939 14.44683 
1 1 1   15    7   35 f  317.432   4.9418  683.524   21.244  661.654   29.399  707.422   30.732  312.129   6.9504  322.736   7.0268 -10.60641 9.883503 
1 1 1   15    7   36 o  260.656   4.5767  460.373   16.148  440.636   22.214  482.490   23.516  254.747   6.4348  266.565   6.5099 -11.81786 9.153439 
1 1 1   15    7   37 o  353.912   5.2107  850.179   24.967  903.526   35.915  800.287   34.732  364.658   7.2679  343.166   7.4687 21.49188 10.42134 
1 1 1   15    7   38 o  300.466   6.9024  613.331   28.105   0.0000   0.0000  613.331   28.105  ?   ?   300.466   6.9024      ?      ? 
1 1 1   15    7   39 o  151.930   4.2918  156.422   8.8259  150.352   12.129  163.255   12.867  148.806   6.0147  155.053   6.1239 -6.247742 8.583587 
1 1 1   15    7   40 o  305.084   4.8719  632.543   20.134  654.917   28.562  610.441   28.387  310.460   6.7889  299.708   6.9894 10.75220 9.743714 
1 1 1   15    7   41 o  188.116   4.3375  240.316   11.051  239.300   15.363  241.405   15.909  187.711   6.0397  188.521   6.2273 -0.8101196 8.675098 
1 1 1   15    7   42 o  149.553   6.0491  151.916   12.259  151.916   12.259   0.0000   0.0000  149.553   6.0491  ?   ?       ?      ? 
1 1 1   15    7   43 o   80.455   5.3826   43.869   5.7774   34.084   7.8785   55.252   8.4974   70.759   8.2163   90.151   6.9556 -19.39154 10.76514 
1 1 1   15    7   44 o  131.761   5.3694  115.413   9.2468  128.198   15.589  108.473   11.485  137.202   8.3847  126.321   6.7095 10.88055 10.73870 
1 1 1   15    7   45 o  178.693   6.3190  217.472   15.203  216.015   20.349  219.313   22.874  178.075   8.4324  179.311   9.4134 -1.236343 12.63794 
1 1 1   15    7   46 o  204.487   4.4308  283.881   12.267  277.086   16.925  291.402   17.806  201.920   6.1852  207.054   6.3459 -5.134277 8.861548 
1 1 1   15    7   47 o  138.385   4.5709  130.819   8.5299  142.142   11.882  118.779   12.253  144.622   6.0629  132.149   6.8420 12.47243 9.141740 
1 1 1   15    7   48 o  160.878   4.4520  175.350   9.6865  161.273   13.295  191.277   14.142  154.013   6.3701  167.742   6.2212 -13.72899 8.904061 
1 1 1   15    7   49 o  225.991   4.5788  347.508   14.012  363.079   19.812  331.927   19.819  231.077   6.3270  220.904   6.6204 10.17230 9.157589 
1 1 1   15    7   50 o  257.376   5.7848  447.651   19.086  463.873   33.099  439.570   23.361  260.590   9.3728  254.163   6.7827 6.427734 11.56954 
1 1 1   15    7   51 o  226.871   5.5215  350.601   16.155  350.069   19.983  351.605   27.449  226.830   6.5009  226.912   8.9267 -0.8169556E-01 11.04297 
1 1 1   15    7   52 o  200.257   4.5793  272.900   12.421  272.372   17.283  273.465   17.862  200.070   6.3747  200.443   6.5759 -0.3736725 9.158526 
1 1 1   15    7   53 o  252.627   4.7249  433.897   16.162  416.055   22.324  453.553   23.430  247.181   6.6645  258.073   6.6996 -10.89188 9.449877 
1 1 1   15    7   54 o  106.130   4.9880   76.700   7.1684   74.765   9.9054   78.827   10.387  104.733   6.9792  107.527   7.1283 -2.793900 9.976060 
1 1 1   15    7   55 f   88.121   7.8422   53.046   9.3648   0.0000   0.0000   53.046   9.3648  ?   ?    88.121   7.8422      ?      ? 
1 1 1   15    7   56 o  185.945   4.5692  235.724   11.510  236.582   16.110  234.829   16.452  186.304   6.3809  185.585   6.5418 0.7193604 9.138376 
1 1 1   15    7   57 o   97.325   5.2798   64.664   6.9575   61.152   9.6495   68.467   10.041   94.570   7.5296  100.081   7.4036 -5.511894 10.55969 
1 1 1   15    7   58 o  133.088   4.7192  120.922   8.5097  118.146   11.913  123.814   12.160  131.527   6.6835  134.648   6.6644 -3.121246 9.438393 
1 1 1   15    7   59 o  143.554   4.7111  140.876   9.1603  141.761   12.781  139.940   13.136  144.039   6.5477  143.069   6.7754 0.9701996 9.422185 
1 1 1   15    7   60 f  159.666   4.6901  174.675   10.111  192.962   14.367  156.731   14.232  168.031   6.3095  151.301   6.9411 16.73056 9.380226 
1 1 1   15    7   61 o   54.143   9.7001   20.839   6.6498   19.956   7.8908   23.004   12.353   52.497   11.417   55.788   15.685 -3.290524 19.40013 
1 1 1   15    7   62 o  104.931   6.4150   78.780   8.5869   67.886   14.247   84.995   10.761   98.614   10.661  111.248   7.1381 -12.63440 12.83000 
1 1 1   15    7   63 o   66.924   7.0995   32.409   6.0082   43.334   8.5536   21.769   8.4411   79.233   7.9664   54.614   11.754 24.61861 14.19901 
1 1 1   15    7   64 o  114.291   4.9815   90.157   7.6832   99.698   10.883   80.676   10.849  120.429   6.6685  108.153   7.4022 12.27602 9.962946 
1 1 1   15    7   65 f   71.017   6.2565   35.145   6.0201   34.554   8.5340   35.731   8.4936   70.400   8.9453   71.633   8.7497 -1.232880 12.51302 
1 1 1   15    7   66 o  104.814   6.5709   78.504   8.6473   72.714   15.092   81.335   10.551  101.175   11.008  108.452   7.1790 -7.277161 13.14171 
1 1 1   15    7   67 o   95.301   6.3781   61.365   7.9657   55.029   9.8782   73.145   13.470   88.814   8.2075  101.788   9.7652 -12.97397 12.75626 
1 1 1   15    7   68 o  116.169   6.0550   94.147   9.0950   92.895   11.267   96.489   15.410  115.654   7.1886  116.684   9.7457 -1.030388 12.11008 
1 1 1   15    7   69 o   35.539   8.8424   8.5393   5.3039   9.4958   7.3692   7.5113   7.6397   36.718   12.437   34.359   12.572 2.358597 17.68474 
1 1 1   15    7   70 o   39.237   7.7371   9.2478   5.2749  -1.4739   7.2016   21.658   7.7479   24.602   10.898   53.871   10.986 -29.26871 15.47422 
1 1 1   15    7   71 o   50.991   8.3246   20.084   5.6928   24.332   7.8517   15.377   8.2660   57.269   10.504   44.712   12.917 12.55742 16.64914 
1 1 1   15    7   72 o   69.863   6.6976   34.823   6.3184   31.155   8.6091   39.106   9.3024   65.823   9.6515   73.903   9.2886 -8.080338 13.39512 
1 1 1   15    7   73 o  108.115   5.4213   82.460   7.9152   73.962   11.072   91.341   11.319  102.233   7.9921  113.998   7.3273 -11.76485 10.84262 
1 1 1   15    7   74 o   80.473   6.1773   46.337   6.7095   41.266   9.3727   51.666   9.6090   75.760   9.1294   85.186   8.3239 -9.426262 12.35451 
1 1 1   15    7   75 o   72.112   6.7310   37.960   6.5196   41.035   8.9345   34.457   9.5349   75.639   8.7165   68.585   10.259 7.053993 13.46192 
1 1 1   15    7   76 o   59.449   10.691   29.949   8.8217   36.138   11.991   22.647   13.025   67.328   13.610   51.570   16.492 15.75807 21.38293 
1 1 1   15    7   77 o   28.388   8.5627   1.1344   6.0948  -5.9661   9.9202   5.4396   7.7246   25.545   11.874   31.230   12.341 -5.685833 17.12543 
1 1 1   15    7   78 o   41.543   9.8812   11.753   6.6054   21.820   11.147   6.3054   8.2001   50.652   15.102   32.434   12.747 18.21740 19.76243 
1 1 1   15    7   79 o   35.877   8.9610   7.6913   6.8160  -8.3213   11.072   17.463   8.6492   25.705   12.137   46.049   13.187 -20.34342 17.92196 
1 1 1   15    7   80 o   80.767   12.945   52.291   14.168   0.0000   0.0000   52.291   14.168  ?   ?    80.767   12.945      ?      ? 
1 1 1   15    7   81 o   52.816   11.190   25.913   9.0495   17.957   13.050   33.282   12.560   44.498   16.409   61.134   15.220 -16.63583 22.38084 
1 1 1   15    7   82 o   35.165   10.269   7.3104   8.2070   13.577   11.782   1.4043   11.438   39.852   15.387   30.477   13.603 9.374891 20.53796 
1 1 1   15    7   83 o   38.770   10.696   12.247   8.3750   19.026   12.218   6.2393   11.502   44.271   15.944   33.270   14.263 11.00096 21.39274 
1 1 1   15    7   84 o   26.713   12.531  -4.2992   11.468  -4.2992   11.468   0.0000   0.0000   26.713   12.531  ?   ?       ?      ? 
1 1 1   15    8    0 o  413.362   5.6500  1158.55   31.647  1177.78   45.014  1139.77   44.500  416.753   7.9706  409.971   8.0099 6.781464 11.29992 
1 1 1   15    8    1 o  446.185   5.9312  1348.86   35.845  1307.47   49.762  1393.49   51.677  439.079   8.3631  453.290   8.4127 -14.21152 11.86235 
1 1 1   15    8    2 f  492.136   6.3241  1642.80   42.175  1654.08   59.676  1631.54   59.614  493.826   8.9175  490.446   8.9697 3.379791 12.64820 
1 1 1   15    8    3 f  385.489   5.4120  1007.32   28.266  1037.21   40.361  978.558   39.598  391.099   7.6153  379.878   7.6921 11.22110 10.82410 
1 1 1   15    8    4 o  446.080   5.9146  1349.58   35.753  1360.08   50.546  1339.08   50.578  447.817   8.3292  444.342   8.3997 3.474792 11.82924 
1 1 1   15    8    5 o  589.367   7.2192  2356.67   57.654  2391.28   82.011  2322.85   81.067  593.646   10.194  585.088   10.224 8.558167 14.43831 
1 1 1   15    8    6 o  441.686   5.8756  1322.68   35.161  1359.29   50.205  1287.44   49.260  447.683   8.2755  435.688   8.3432 11.99503 11.75128 
1 1 1   15    8    7 o  232.038   5.3334  361.506   13.587  359.000   15.231  371.269   30.062  230.143   4.8837  233.932   9.4831 -3.789352 10.66681 
1 1 1   15    8    8 o  246.283   5.7336  403.749   17.310  393.903   20.380  429.240   32.794  241.043   6.2393  251.524   9.6211 -10.48096 11.46714 
1 1 1   15    8    9 o  579.059   8.8523  2277.54   64.959  2277.90   78.954  2276.79  114.279  579.373   10.056  578.745   14.571 0.6282959 17.70452 
1 1 1   15    8   10 o  499.174   9.2943  1692.64   62.866  1668.52   88.275  1717.47   89.551  495.565   13.145  502.783   13.143 -7.217590 18.58861 
1 1 1   15    8   11 o  323.489   10.465  710.305   45.875   0.0000   0.0000  710.305   45.875  ?   ?   323.489   10.465      ?      ? 
1 1 1   15    8   12 o  429.666   11.961  1253.91   69.644   0.0000   0.0000  1253.91   69.644  ?   ?   429.666   11.961      ?      ? 
1 1 1   15    8   13 o  378.145   11.197  971.031   57.377   0.0000   0.0000  971.031   57.377  ?   ?   378.145   11.197      ?      ? 
1 1 1   15    8   14 o  506.612   13.254  1744.69   90.990   0.0000   0.0000  1744.69   90.990  ?   ?   506.612   13.254      ?      ? 
1 1 1   15    8   15 o  534.398   9.6738  1939.44   70.007  2036.75  101.049  1849.62   97.078  547.280   13.625  521.517   13.736 25.76263 19.34766 
1 1 1   15    8   16 o  259.249   6.8119  455.196   23.898  436.849   32.750  476.092   34.950  253.679   9.5267  264.818   9.7392 -11.13815 13.62386 
1 1 1   15    8   17 o  246.190   6.7213  410.503   22.396  391.759   30.751  431.673   32.681  240.223   9.4465  252.157   9.5639 -11.93459 13.44263 
1 1 1   15    8   18 o  373.239   6.7130  956.987   31.514  976.613   38.256  915.546   55.590  379.411   7.4405  367.066   11.176 12.34491 13.42595 
1 1 1   15    8   19 o  146.281   5.5273  140.245   9.5321  135.450   10.946  155.295   19.392  141.333   5.7150  151.229   9.4627 -9.896027 11.05457 
1 1 1   15    8   20 o  370.385   6.3289  935.081   26.572  938.128   30.233  924.730   55.713  371.925   5.9984  368.844   11.146 3.080597 12.65780 
1 1 1   15    8   21 o  488.877   7.4434  1632.35   41.889  1639.70   47.993  1608.83   85.828  491.589   7.2044  486.165   13.027 5.423370 14.88686 
1 1 1   15    8   22 o  220.786   5.4625  335.068   13.060  337.926   14.629  323.851   28.984  223.249   4.8356  218.324   9.7966 4.925079 10.92506 
1 1 1   15    8   23 o  135.789   5.3701  119.485   7.5622  116.519   8.2939  134.104   18.414  131.093   4.6687  140.486   9.6725 -9.392792 10.74026 
1 1 1   15    8   24 o  406.624   7.6822  1123.33   42.308  1170.87   60.956  1079.14   58.769  414.919   10.841  398.328   10.887 16.59109 15.36431 
1 1 1   15    8   25 o  492.036   8.8063  1643.49   58.619  1547.83   80.186  1753.29   85.911  476.718   12.412  507.354   12.496 -30.63608 17.61261 
1 1 1   15    8   26 o  252.916   4.5464  434.643   15.561  451.126   21.734  417.309   22.288  257.854   6.2200  247.978   6.6325 9.876129 9.092771 
1 1 1   15    8   27 o  168.145   4.1990  191.913   9.5604  194.488   13.313  189.170   13.738  169.316   5.8023  166.975   6.0713 2.340897 8.398086 
1 1 1   15    8   28 o  283.301   5.9670  544.278   20.969  542.714   25.025  547.964   38.418  282.778   6.5306  283.825   9.9885 -1.046814 11.93395 
1 1 1   15    8   29 o  335.747   10.637  767.352   48.394   0.0000   0.0000  767.352   48.394  ?   ?   335.747   10.637      ?      ? 
1 1 1   15    8   30 o  393.019   6.8382  1067.90   34.614  993.913   57.817  1109.23   43.214  381.972   11.170  404.066   7.8920 -22.09375 13.67646 
1 1 1   15    8   31 o  399.405   5.5764  1083.80   30.175  1116.96   42.919  1051.39   42.434  405.456   7.8113  393.355   7.9606 12.10132 11.15290 
1 1 1   15    8   32 o  296.432   4.7826  596.846   19.206  609.901   27.069  583.609   27.256  299.707   6.6648  293.158   6.8609 6.549438 9.565154 
1 1 1   15    8   33 o  198.697   4.3104  266.703   11.575  242.472   15.795  294.809   17.011  188.992   6.1674  208.402   6.0235 -19.41005 8.620885 
1 1 1   15    8   34 o  227.712   5.4104  341.007   15.679  385.288   28.115  321.019   18.889  237.991   8.7175  217.433   6.4105 20.55774 10.82073 
1 1 1   15    8   35 o  246.567   5.4920  393.744   17.181  468.696   31.291  361.395   20.557  262.457   8.7979  230.677   6.5761 31.77916 10.98395 
1 1 1   15    8   36 o  361.403   5.2748  887.951   25.828  906.172   36.453  869.582   36.600  365.141   7.3670  357.665   7.5513 7.475769 10.54959 
1 1 1   15    8   37 o  297.719   4.8290  602.050   19.468  634.996   27.799  570.342   27.272  305.724   6.7100  289.714   6.9464 16.00952 9.657965 
1 1 1   15    8   38 o  154.604   4.3088  162.142   9.0203  157.875   12.459  166.842   13.077  152.473   6.0300  156.735   6.1567 -4.262512 8.617700 
1 1 1   15    8   39 o  190.483   4.3622  246.585   11.254  251.696   15.757  241.264   16.078  192.509   6.0401  188.458   6.2954 4.050797 8.724395 
1 1 1   15    8   40 o  189.278   5.2600  242.368   12.961  248.249   21.686  239.100   16.166  190.960   8.3803  187.596   6.3593 3.364517 10.51999 
1 1 1   15    8   41 o  227.382   5.5279  361.018   16.261  318.326   26.455  386.944   20.616  216.133   9.0325  238.632   6.3752 -22.49989 11.05571 
1 1 1   15    8   42 o   79.350   5.4602   42.991   5.8516   45.820   8.1465   39.976   8.4107   82.073   7.3246   76.627   8.0996 5.445808 10.92035 
1 1 1   15    8   43 o   72.109   5.6748   35.346   5.5380   32.903   7.6773   37.996   7.9963   69.511   8.1503   74.708   7.8984 -5.196983 11.34956 
1 1 1   15    8   44 o   60.068   6.6800   25.218   5.2476   28.906   7.3319   21.345   7.5138   65.139   8.3061   54.997   10.464 10.14128 13.35996 
1 1 1   15    8   45 f  136.867   6.1276  133.544   10.131  141.667   12.093  114.427   18.551  144.371   6.1813  129.363   10.582 15.00867 12.25520 
1 1 1   15    8   46 o   75.106   7.6433   35.075   7.0614   30.829   8.1989   47.269   13.896   67.223   9.0003   82.989   12.356 -15.76553 15.28652 
1 1 1   15    8   47 o  126.981   5.6216  112.639   9.1946  119.827   11.569  100.313   15.149  132.742   6.4314  121.221   9.2221 11.52157 11.24324 
1 1 1   15    8   48 o   86.222   6.4274   52.545   7.0469   56.645   8.7912   45.176   11.787   91.220   7.1117   81.224   10.708 9.995461 12.85483 
1 1 1   15    8   49 o  145.775   4.5663  144.969   8.9955  153.648   12.540  135.770   12.911  150.309   6.1567  141.242   6.7453 9.067154 9.132580 
1 1 1   15    8   50 o  142.095   4.6031  137.274   8.8573  134.039   12.247  140.822   12.825  140.348   6.4392  143.842   6.5797 -3.493576 9.206287 
1 1 1   15    8   51 o  115.327   6.1659   95.074   9.0156   77.601   14.904  105.158   11.322  106.388   10.338  124.267   6.7232 -17.87923 12.33184 
1 1 1   15    8   52 o  102.054   5.1552   70.991   7.1280   69.622   9.9583   72.430   10.207  101.047   7.2724  103.061   7.3086 -2.013962 10.31031 
1 1 1   15    8   53 o  106.365   5.0033   77.067   7.2075   73.913   10.002   80.473   10.395  104.103   7.0902  108.627   7.0613 -4.523964 10.00669 
1 1 1   15    8   54 o  112.748   4.8948   86.581   7.4696   80.832   10.354   92.820   10.787  108.841   7.0197  116.655   6.8235 -7.814590 9.789604 
1 1 1   15    8   55 o   79.164   5.8583   42.938   6.2561   37.765   8.7305   48.398   8.9693   74.219   8.6804   84.108   7.8694 -9.889397 11.71650 
1 1 1   15    8   56 o  101.967   5.1978   70.863   7.1499   61.953   9.8281   80.879   10.421   95.146   7.6225  108.787   7.0687 -13.64193 10.39562 
1 1 1   15    8   57 o  187.136   4.6183  239.270   11.708  245.312   16.521  233.174   16.594  189.532   6.4325  184.740   6.6284 4.792770 9.236544 
1 1 1   15    8   58 f  201.281   5.8768  289.876   15.114  239.508   24.669  320.142   19.123  186.156   9.7789  216.406   6.5207 -30.24992 11.75360 
1 1 1   15    8   59 o   88.293   7.1765   57.314   7.8972   44.565   13.221   64.386   9.8470   79.732   12.236   96.853   7.5026 -17.12070 14.35305 
1 1 1   15    8   60 o  111.260   5.0862   85.006   7.6660   87.146   10.815   82.845   10.868  112.690   7.0819  109.830   7.3022 2.859627 10.17234 
1 1 1   15    8   61 f   92.659   5.4483   59.123   6.8393   57.992   9.5387   60.319   9.8117   91.755   7.6714   93.564   7.7384 -1.809021 10.89653 
1 1 1   15    8   62 o   50.421   9.9179   18.191   6.5410   17.405   7.7270   20.177   12.286   48.700   11.826   52.142   15.925 -3.442043 19.83584 
1 1 1   15    8   63 o   47.151   7.7341   16.184   5.5039   27.138   7.7017   4.7514   7.8684   62.401   9.1079   31.902   12.502 30.49873 15.46813 
1 1 1   15    8   64 o   57.178   8.8617   24.792   6.5658   27.150   8.1989   20.576   10.963   62.192   9.7284   52.165   14.815 10.02659 17.72341 
1 1 1   15    8   65 o   79.912   7.1025   44.166   7.3864   41.877   9.1461   48.459   12.525   77.395   8.7205   82.428   11.213 -5.033447 14.20494 
1 1 1   15    8   66 o  122.298   5.0708  103.741   8.4038  104.386   11.877  103.094   11.893  122.690   7.1434  121.907   7.1989 0.7829742 10.14165 
1 1 1   15    8   67 o   52.550   9.8305   20.939   6.8711   22.143   11.695   20.304   8.4914   53.237   15.360   51.863   12.273 1.374104 19.66093 
1 1 1   15    8   68 f  107.574   5.3069   80.840   7.7346   81.162   10.839   80.507   11.040  107.829   7.4178  107.319   7.5915 0.5101013 10.61390 
1 1 1   15    8   69 o  120.709   5.1380  101.687   8.3941   94.889   11.671  108.974   12.082  116.469   7.3943  124.949   7.1357 -8.480057 10.27592 
1 1 1   15    8   70 o   82.108   6.0600   47.687   6.7341   44.762   9.2775   50.944   9.7900   79.432   8.6189   84.783   8.5210 -5.350311 12.11993 
1 1 1   15    8   71 o   57.287   7.9020   24.164   5.9854   13.991   8.0020   37.085   9.0179   42.630   12.814   71.943   9.2499 -29.31218 15.80403 
1 1 1   15    8   72 o   88.449   5.8806   55.513   7.0424   53.146   9.7234   58.124   10.214   86.479   8.2971   90.419   8.3357 -3.940125 11.76116 
1 1 1   15    8   73 f   50.866   8.8674   21.832   6.7113   9.1430   10.886   29.611   8.5238   37.895   14.746   63.837   9.8533 -25.94200 17.73488 
1 1 1   15    8   74 o   28.402   8.6516   1.1307   6.0535  -2.0083   9.6436   3.1719   7.7765   27.635   12.401   29.170   12.067 -1.535608 17.30328 
1 1 1   15    8   75 o   52.866   8.9012   23.858   7.0315   9.1968   11.032   33.891   9.1254   37.709   14.796   68.022   9.8996 -30.31332 17.80250 
1 1 1   15    8   76 o   37.024   9.4379   9.4258   6.6648   1.0963   10.321   15.383   8.7285   30.351   13.259   43.696   13.435 -13.34464 18.87588 
1 1 1   15    8   77 o   44.719   11.200   16.454   8.4072   14.708   11.033   18.872   12.983   42.585   15.171   46.853   16.482 -4.267754 22.40100 
1 1 1   15    8   78 o   67.647   10.183   37.492   9.5310   20.308   12.696   59.679   14.427   47.859   16.325   87.435   12.176 -39.57538 20.36526 
1 1 1   15    8   79 o   46.359   11.090   18.982   8.7636   25.725   12.033   11.364   12.789   53.537   15.619   39.181   15.747 14.35609 22.17901 
1 1 1   15    8   80 o   34.426   9.8816   4.1983   8.1132  -7.6545   11.425   16.256   11.523   25.993   12.290   42.859   15.477 -16.86570 19.76327 
1 1 1   15    9    0 o  384.752   6.5228  997.379   32.381  1027.08   55.344  981.916   39.929  389.003   10.499  380.502   7.7437 8.500580 13.04559 
1 1 1   15    9    1 o  214.258   6.3222  311.245   18.356   0.0000   0.0000  311.245   18.356  ?   ?   214.258   6.3222      ?      ? 
1 1 1   15    9    2 o  424.096   7.2337  1209.58   38.589  1250.58   69.413  1191.23   46.424  429.120   11.937  419.071   8.1746 10.04959 14.46742 
1 1 1   15    9    3 o  442.874   5.9290  1330.40   35.581  1322.08   49.968  1338.96   50.676  441.471   8.3524  444.277   8.4172 -2.806458 11.85798 
1 1 1   15    9    4 o  192.693   4.3516  250.248   11.320  222.583   15.408  282.701   16.688  181.186   6.2752  204.199   6.0307 -23.01285 8.703240 
1 1 1   15    9    5 o  246.594   4.5060  412.485   15.047  430.831   21.297  394.198   21.263  252.075   6.2345  241.113   6.5075 10.96231 9.012061 
1 1 1   15    9    6 o  222.212   4.3890  334.998   13.208  346.646   18.603  323.159   18.755  226.112   6.0714  218.311   6.3397 7.801025 8.778006 
1 1 1   15    9    7 o  255.211   4.5599  439.851   15.738  409.540   21.480  474.985   23.125  245.757   6.4497  264.665   6.4477 -18.90871 9.119855 
1 1 1   15    9    8 o  251.660   5.5381  427.980   15.283  426.830   17.143  432.432   33.732  250.926   5.0415  252.395   9.8623 -1.468430 11.07613 
1 1 1   15    9    9 f  310.480   6.2435  654.264   24.059  654.410   28.745  653.922   43.964  310.634   6.8287  310.326   10.454 0.3078003 12.48698 
1 1 1   15    9   10 o  233.784   5.7987  372.659   16.521  375.038   19.522  366.655   31.013  235.177   6.1256  232.392   9.8477 2.784973 11.59741 
1 1 1   15    9   11 o  247.007   5.4649  400.973   14.638  392.694   16.288  435.735   33.377  240.677   4.9940  253.336   9.7222 -12.65872 10.92984 
1 1 1   15    9   12 o  530.552   8.4448  1964.80   57.488  2091.02   72.029  1743.31   95.418  554.957   9.5778  506.148   13.911 48.80890 16.88967 
1 1 1   15    9   13 o  507.379   7.6257  1750.30   44.491  1751.47   50.899  1746.54   91.592  508.099   7.3923  506.659   13.340 1.440857 15.25143 
1 1 1   15    9   14 o  616.226   8.8011  2610.11   63.152  2637.04   72.852  2528.68  126.665  623.290   8.6252  609.162   15.344 14.12854 17.60216 
1 1 1   15    9   15 o  423.921   6.8428  1230.84   33.153  1239.87   37.890  1201.36   68.472  427.539   6.5399  420.303   12.022 7.235809 13.68555 
1 1 1   15    9   16 o  168.586   5.4481  186.328   9.3006  183.153   10.154  202.863   23.175  164.365   4.5588  172.806   9.8966 -8.440201 10.89614 
1 1 1   15    9   17 o  380.835   6.0868  983.731   31.413  983.731   31.413   0.0000   0.0000  380.835   6.0868  ?   ?       ?      ? 
1 1 1   15    9   18 o  315.470   5.4870  674.917   23.457  674.917   23.457   0.0000   0.0000  315.470   5.4870  ?   ?       ?      ? 
1 1 1   15    9   19 o  189.611   4.6184  243.760   11.867  243.760   11.867   0.0000   0.0000  189.611   4.6184  ?   ?       ?      ? 
1 1 1   15    9   20 o  218.898   5.3904  327.226   12.774  328.535   14.291  322.026   28.489  220.117   4.7910  217.679   9.6578 2.437851 10.78083 
1 1 1   15    9   21 f  310.446   5.9104  660.026   20.537  664.331   23.267  644.844   43.692  312.965   5.4861  307.927   10.471 5.037384 11.82075 
1 1 1   15    9   22 o  372.883   6.4329  964.791   27.391  982.650   31.387  907.743   56.097  380.574   6.0860  365.191   11.335 15.38226 12.86584 
1 1 1   15    9   23 o  377.252   6.5203  1001.11   28.251  1033.32   32.577  903.439   56.736  390.243   6.1602  364.261   11.494 25.98199 13.04059 
1 1 1   15    9   24 f  426.492   6.8331  1217.12   33.021  1201.19   37.415  1273.23   70.223  420.696   6.5629  432.287   11.987 -11.59106 13.66627 
1 1 1   15    9   25 o  238.915   6.6825  386.999   21.590  371.318   29.397  405.362   31.811  233.691   9.2827  244.139   9.6153 -10.44720 13.36501 
1 1 1   15    9   26 o   67.630   8.3168   35.449   5.2671   37.180   5.7617   26.648   12.993   74.024   5.7438   61.236   15.610 12.78844 16.63360 
1 1 1   15    9   27 o  244.767   5.7944  402.745   17.366  397.020   20.481  417.390   32.757  241.856   6.2490  247.678   9.7596 -5.821640 11.58878 
1 1 1   15    9   28 o  386.158   7.8013  1017.83   40.727  1048.06   56.226  984.469   59.072  392.287   10.577  380.029   11.471 12.25803 15.60254 
1 1 1   15    9   29 o  319.342   6.7687  691.825   29.243  643.872   40.146  746.031   42.683  307.582   9.6316  331.103   9.5129 -23.52118 13.53748 
1 1 1   15    9   30 o  184.278   4.9899  232.491   11.954  237.358   15.012  224.058   19.760  187.001   5.9240  181.554   8.0314 5.447876 9.979826 
1 1 1   15    9   31 f  140.154   4.3246  133.409   8.2073  134.894   11.423  131.824   11.800  140.966   5.9798  139.341   6.2490 1.624954 8.649199 
1 1 1   15    9   32 o  237.694   6.4010  383.669   20.618   0.0000   0.0000  383.669   20.618  ?   ?   237.694   6.4010      ?      ? 
1 1 1   15    9   33 o  129.084   4.3845  113.619   7.6323  125.113   10.715  101.780   10.875  135.756   5.8242  122.412   6.5554 13.34310 8.769013 
1 1 1   15    9   34 o  235.785   5.6724  386.453   17.063  352.430   28.891  404.680   21.146  227.477   9.3721  244.093   6.3927 -16.61688 11.34471 
1 1 1   15    9   35 o  239.640   6.4841  390.113   21.057   0.0000   0.0000  390.113   21.057  ?   ?   239.640   6.4841      ?      ? 
1 1 1   15    9   36 o  194.423   5.2868  262.469   13.359  236.471   21.658  278.436   16.973  186.378   8.5751  202.468   6.1862 -16.09003 10.57361 
1 1 1   15    9   37 o  238.780   6.4828  387.403   20.977   0.0000   0.0000  387.403   20.977  ?   ?   238.780   6.4828      ?      ? 
1 1 1   15    9   38 o  172.673   4.3626  201.625   10.183  184.555   13.901  221.393   14.959  164.818   6.2240  180.528   6.1147 -15.70956 8.725121 
1 1 1   15    9   39 o  229.486   4.5124  357.602   14.025  350.297   19.434  365.540   20.260  227.050   6.3162  231.923   6.4462 -4.873398 9.024831 
1 1 1   15    9   40 o  214.380   4.4823  310.951   12.993  288.935   17.705  336.644   19.127  206.194   6.3363  222.566   6.3415 -16.37267 8.964588 
1 1 1   15    9   41 o  171.465   4.4012  200.079   10.211  210.970   14.360  188.939   14.523  176.209   6.0136  166.722   6.4281 9.487305 8.802480 
1 1 1   15    9   42 o   89.092   5.2980   53.974   6.3885   50.338   8.9017   57.836   9.1738   85.992   7.6389   92.191   7.3431 -6.198448 10.59593 
1 1 1   15    9   43 o  159.130   5.3737  176.151   11.042  186.001   13.898  159.292   18.183  165.421   6.1998  152.840   8.7789 12.58127 10.74741 
1 1 1   15    9   44 o  275.792   9.2925  519.193   34.729   0.0000   0.0000  519.193   34.729  ?   ?   275.792   9.2925      ?      ? 
1 1 1   15    9   45 o  148.007   4.6650  148.593   9.3420  138.124   12.857  160.300   13.597  142.494   6.6585  153.519   6.5357 -11.02455 9.330070 
1 1 1   15    9   46 o  238.125   5.9381  389.076   17.600  392.739   21.129  380.776   31.806  240.281   6.4891  235.968   9.9465 4.313141 11.87611 
1 1 1   15    9   47 o  129.521   6.1117  111.201   9.7980  106.669   11.577  122.643   18.395  125.183   6.8243  133.859   10.141 -8.675728 12.22339 
1 1 1   15    9   48 o  114.890   4.9456   89.888   7.6925   84.641   10.790   95.311   10.970  111.469   7.1430  118.312   6.8421 -6.842949 9.891276 
1 1 1   15    9   49 o  156.501   4.5701  166.662   9.6897  161.451   13.561  172.098   13.850  153.998   6.4984  159.003   6.4277 -5.005005 9.140249 
1 1 1   15    9   50 o   98.856   5.1408   66.584   6.8839   64.452   9.5787   68.862   9.8999   97.220   7.2706  100.491   7.2698 -3.270760 10.28157 
1 1 1   15    9   51 o   54.527   9.1284   20.927   6.3827   22.792   10.949   19.967   7.8556   56.184   14.334   52.869   11.307 3.314453 18.25671 
1 1 1   15    9   52 o  134.899   5.6814  121.156   9.9029  135.249   17.156  114.113   12.127  140.467   9.0129  129.332   6.9195 11.13513 11.36275 
1 1 1   15    9   53 o  131.130   4.7860  117.138   8.4894  107.615   11.762  127.495   12.266  125.556   6.9128  136.704   6.6210 -11.14794 9.572089 
1 1 1   15    9   54 o  112.562   5.0253   86.479   7.6518   79.515   10.628   93.975   11.026  107.840   7.2724  117.284   6.9372 -9.444130 10.05054 
1 1 1   15    9   55 o  130.976   6.0024  119.393   10.066  112.810   17.072  122.902   12.463  127.866   9.8523  134.086   6.8592 -6.220268 12.00488 
1 1 1   15    9   56 o  118.489   6.3102   99.525   9.4516   88.343   16.129  105.373   11.664  112.890   10.543  124.088   6.9365 -11.19804 12.62032 
1 1 1   15    9   57 o   81.008   5.8731   45.117   6.3873   37.325   8.8149   53.733   9.2683   73.566   8.8421   88.450   7.7325 -14.88363 11.74627 
1 1 1   15    9   58 o   84.993   5.6892   49.724   6.5500   49.091   9.1130   50.401   9.4207   84.447   7.9633   85.538   8.1272 -1.091309 11.37830 
1 1 1   15    9   59 o   97.255   5.4201   65.185   7.1059   56.865   9.9216   73.947   10.182   90.795   8.0638  103.715   7.2445 -12.92027 10.84011 
1 1 1   15    9   60 o  147.535   4.7126  149.331   9.4138  140.939   13.101  158.289   13.536  143.229   6.7499  151.841   6.5782 -8.612503 9.425213 
1 1 1   15    9   61 o  112.456   6.0821   89.226   8.8184   92.783   11.042   82.960   14.654  116.058   7.0206  108.854   9.9338 7.203827 12.16429 
1 1 1   15    9   62 o   62.114   9.6173   27.066   7.0907   25.642   8.1624   31.443   14.315   60.413   9.9702   63.815   16.449 -3.402256 19.23467 
1 1 1   15    9   63 o  110.861   6.9718   89.522   9.3427   93.737   11.140   79.526   17.155  116.443   7.0595  105.279   12.025 11.16379 13.94368 
1 1 1   15    9   64 o  139.189   4.8780  134.184   9.1907  137.413   12.804  130.752   13.201  141.000   6.7009  137.379   7.0908 3.621735 9.756088 
1 1 1   15    9   65 o   36.822   8.9587   9.1651   5.4724   6.8320   7.5837   11.700   7.9045   33.590   12.485   40.054   12.852 -6.464828 17.91743 
1 1 1   15    9   66 o   62.173   7.2603   27.962   5.9826   26.030   8.3307   30.019   8.5969   59.418   10.742   64.928   9.7708 -5.509380 14.52067 
1 1 1   15    9   67 o   29.374   8.5971   1.8428   5.9598  -6.3155   9.8562   6.5448   7.4827   25.819   11.944   32.929   12.369 -7.109392 17.19418 
1 1 1   15    9   68 o   57.024   9.1881   25.783   6.9180   20.629   11.425   28.767   8.6927   50.872   15.316   63.177   10.154 -12.30414 18.37612 
1 1 1   15    9   69 o   38.113   9.0008   10.653   5.4412   10.343   7.3556   11.028   8.0862   37.519   12.422   38.707   13.029 -1.187431 18.00169 
1 1 1   15    9   70 o   21.353   7.2019  -9.5139   5.6182  -5.9295   8.8382 -11.9443   7.2778   24.213   11.239   18.492   9.0083 5.721415 14.40374 
1 1 1   15    9   71 o   44.978   9.7494   14.633   6.4481   22.295   10.670   10.224   8.0932   52.497   14.513   37.458   13.022 15.03888 19.49876 
1 1 1   15    9   72 o   40.543   9.6635   12.725   6.3608   9.5042   10.293   14.715   8.0907   37.770   14.432   43.315   12.855 -5.544300 19.32707 
1 1 1   15    9   73 o   42.714   9.1866   14.573   6.5044   4.6703   10.196   21.370   8.4465   33.168   13.777   52.259   12.156 -19.09092 18.37326 
1 1 1   15    9   74 o   56.136   9.5461   25.382   7.0045   25.557   11.525   25.280   8.8204   55.276   15.003   56.995   11.808 -1.719208 19.09222 
1 1 1   15    9   75 o   34.078   9.6776   4.9534   7.5011   12.501   10.004  -4.7381   11.336   40.171   14.432   27.986   12.898 12.18523 19.35518 
1 1 1   15    9   76 o   50.672   10.804   22.502   8.4659   29.059   11.479   14.683   12.536   58.707   14.512   42.638   16.011 16.06918 21.60868 
1 1 1   15    9   77 o   30.799   13.421   2.1657   10.518   2.1657   10.518   0.0000   0.0000   30.799   13.421  ?   ?       ?      ? 
1 1 1   15   10    0 o  372.884   5.3913  943.341   27.239  948.659   38.270  937.880   38.778  373.953   7.5520  371.814   7.6962 2.139008 10.78257 
1 1 1   15   10    1 o  301.365   4.8870  615.995   19.954  615.615   27.948  616.391   28.499  301.272   6.8456  301.457   6.9762 -0.1840210 9.773931 
1 1 1   15   10    2 o  226.679   4.5075  348.415   13.841  346.630   19.288  350.310   19.873  226.083   6.2956  227.275   6.4526 -1.192154 9.015002 
1 1 1   15   10    3 o  388.074   5.5052  1021.70   28.945  1016.54   40.483  1027.10   41.402  387.076   7.7179  389.072   7.8525 -1.996429 11.01031 
1 1 1   15   10    4 o  337.769   5.1179  773.654   23.416  764.367   32.566  783.596   33.694  335.675   7.1591  339.862   7.3158 -4.187103 10.23590 
1 1 1   15   10    5 o  225.374   4.4886  344.427   13.694  343.202   18.922  345.774   19.845  224.958   6.2069  225.790   6.4857 -0.8321838 8.977180 
1 1 1   15   10    6 o  318.575   7.0412  685.779   30.274  726.961   45.347  652.669   40.661  327.138   10.229  310.012   9.6788 17.12546 14.08241 
1 1 1   15   10    7 f  211.717   6.2835  305.624   17.894  292.310   26.653  316.550   24.144  207.472   9.4798  215.962   8.2499 -8.489548 12.56694 
1 1 1   15   10    8 o  292.621   5.3784  580.613   21.327  580.613   21.327   0.0000   0.0000  292.621   5.3784  ?   ?       ?      ? 
1 1 1   15   10    9 o  162.959   4.6441  180.035   10.256  180.035   10.256   0.0000   0.0000  162.959   4.6441  ?   ?       ?      ? 
1 1 1   15   10   10 o  372.527   7.5150  941.763   37.937  941.763   37.937   0.0000   0.0000  372.527   7.5150  ?   ?       ?      ? 
1 1 1   15   10   11 o  364.413   6.3172  866.136   25.387  841.806   28.367  963.998   56.892  352.299   5.9419  376.526   11.150 -24.22711 12.63433 
1 1 1   15   10   12 o  250.898   5.6414  430.750   15.417  433.115   17.290  421.574   34.057  252.733   5.0483  249.064   10.090 3.669388 11.28283 
1 1 1   15   10   13 o  307.365   5.8680  634.967   20.057  630.160   22.587  652.886   43.611  304.825   5.4681  309.904   10.384 -5.079132 11.73608 
1 1 1   15   10   14 o  187.724   5.4488  241.700   10.853  243.230   12.072  235.251   24.784  189.400   4.7034  186.048   9.8304 3.352310 10.89768 
1 1 1   15   10   15 o  269.612   5.6032  482.732   16.582  475.337   18.551  512.116   36.980  264.749   5.1708  274.475   9.9421 -9.726105 11.20635 
1 1 1   15   10   16 o  216.306   5.5436  328.596   12.915  336.085   14.497  299.785   28.433  222.626   4.8052  209.985   9.9918 12.64153 11.08719 
1 1 1   15   10   17 o  245.226   5.5552  410.763   14.877  412.442   16.693  404.281   32.793  246.611   4.9950  243.841   9.9242 2.769913 11.11033 
1 1 1   15   10   18 o  164.833   5.5757  189.568   9.4716  192.412   10.472  176.778   22.206  168.450   4.5875  161.217   10.164 7.233292 11.15146 
1 1 1   15   10   19 o  250.087   5.6339  432.928   15.436  438.807   17.384  411.008   33.565  254.360   5.0433  245.814   10.076 8.546463 11.26777 
1 1 1   15   10   20 o  349.596   7.6150  832.360   36.051  846.071   50.312  817.893   51.682  352.592   10.530  346.601   11.003 5.991302 15.22995 
1 1 1   15   10   21 o  258.352   6.8917  454.573   24.089  465.931   33.396  442.255   34.780  261.753   9.4150  254.950   10.067 6.803604 13.78338 
1 1 1   15   10   22 f  194.181   5.3084  244.110   11.027  237.011   12.194  275.960   25.830  186.936   4.8138  201.426   9.4628 -14.49068 10.61682 
1 1 1   15   10   23 o  222.844   5.4000  326.360   13.050  319.339   14.519  355.875   29.769  216.977   4.9379  228.710   9.6050 -11.73245 10.79996 
1 1 1   15   10   24 f  340.601   6.1485  789.274   23.657  789.678   26.861  787.875   49.945  341.123   5.8107  340.079   10.837 1.044159 12.29697 
1 1 1   15   10   25 o  220.985   5.7538  330.531   15.471  328.756   18.210  335.134   29.330  220.076   6.1060  221.894   9.7540 -1.818008 11.50756 
1 1 1   15   10   26 o  269.831   5.9655  493.788   19.842  491.982   23.571  498.181   36.763  269.183   6.4616  270.479   10.030 -1.295837 11.93109 
1 1 1   15   10   27 o  271.973   5.9924  496.929   20.042  488.694   23.693  517.637   37.574  268.266   6.5174  275.679   10.058 -7.412933 11.98478 
1 1 1   15   10   28 o  230.146   5.4836  353.948   13.854  349.738   15.513  370.526   30.785  227.038   5.0422  233.255   9.7393 -6.216400 10.96715 
1 1 1   15   10   29 o  139.056   5.4693  123.346   8.1908  118.493   9.0578  145.115   19.184  132.148   5.0580  145.963   9.6989 -13.81534 10.93855 
1 1 1   15   10   30 o  172.620   5.7219  199.424   11.622  196.218   13.389  209.225   23.410  170.008   5.8116  175.232   9.8583 -5.223801 11.44378 
1 1 1   15   10   31 o  288.789   9.1674  567.940   35.876  567.940   35.876   0.0000   0.0000  288.789   9.1674  ?   ?       ?      ? 
1 1 1   15   10   32 o  157.739   4.3490  168.830   9.2886  159.461   12.941  178.787   13.340  153.224   6.2323  162.253   6.0673 -9.029785 8.697917 
1 1 1   15   10   33 o  127.880   6.5540  111.113   11.358   0.0000   0.0000  111.113   11.358  ?   ?   127.880   6.5540      ?      ? 
1 1 1   15   10   34 o  225.596   6.2651  343.096   19.038  379.669   28.926  315.145   25.288  236.069   9.0421  215.123   8.6744 20.94650 12.53011 
1 1 1   15   10   35 o  253.837   4.6353  438.097   15.934  456.170   22.516  419.966   22.552  259.100   6.4127  248.574   6.6949 10.52631 9.270617 
1 1 1   15   10   36 o  285.940   4.8247  556.034   18.681  582.577   26.482  529.740   26.357  292.755   6.6752  279.124   6.9681 13.63110 9.649460 
1 1 1   15   10   37 o  271.211   4.7419  500.259   17.421  511.867   24.500  488.389   24.775  274.411   6.5885  268.012   6.8215 6.398254 9.483726 
1 1 1   15   10   38 o  129.234   5.4217  117.442   9.0529  128.605   11.548   99.646   14.581  137.566   6.1948  120.901   8.8997 16.66480 10.84344 
1 1 1   15   10   39 o  266.246   5.5843  471.164   19.049  448.914   23.155  517.753   33.506  256.945   6.6499  275.547   8.9731 -18.60107 11.16856 
1 1 1   15   10   40 f  300.504   4.9883  612.560   20.246  686.792   29.442  545.967   27.886  317.761   6.8374  283.246   7.2651 34.51508 9.976548 
1 1 1   15   10   41 o  162.140   4.5087  178.970   9.8939  186.501   13.863  171.152   14.125  165.638   6.1761  158.642   6.5702 6.996201 9.017338 
1 1 1   15   10   42 o  118.028   4.7271   94.538   7.5476   87.140   10.421  102.703   10.947  113.174   6.7946  122.882   6.5737 -9.707405 9.454116 
1 1 1   15   10   43 o  118.613   4.7988   95.479   7.7023   89.143   10.604  102.555   11.206  114.454   6.8371  122.771   6.7356 -8.316162 9.597563 
1 1 1   15   10   44 f  204.460   4.5405  283.583   12.563  267.788   17.238  301.474   18.346  198.407   6.4114  210.514   6.4311 -12.10725 9.081067 
1 1 1   15   10   45 o  150.685   4.6187  154.039   9.4164  144.060   12.921  165.344   13.752  145.493   6.5532  155.876   6.5103 -10.38228 9.237347 
1 1 1   15   10   46 o  205.517   5.8649  286.737   14.903  284.463   17.727  292.220   27.522  204.443   6.3984  206.590   9.8309 -2.147064 11.72974 
1 1 1   15   10   47 o   97.202   6.8297   58.621   8.2184   50.895   9.5753   80.236   16.016   86.333   8.1845  108.071   10.936 -21.73810 13.65932 
1 1 1   15   10   48 o   38.497   8.9078   9.8789   5.3557   9.5791   7.6265   10.170   7.5227   38.131   12.650   38.864   12.545 -0.7337570 17.81558 
1 1 1   15   10   49 o   45.578   8.3389   14.811   5.4661   8.1742   7.7601   21.346   7.7008   36.370   12.745   54.786   10.757 -18.41568 16.67779 
1 1 1   15   10   50 o  189.068   4.6191  243.561   11.822  259.788   16.952  228.198   16.495  195.217   6.4080  182.920   6.6543 12.29666 9.238147 
1 1 1   15   10   51 o  122.021   6.2787  105.426   9.5937   93.192   16.652  111.504   11.738  116.233   10.572  127.810   6.7769 -11.57745 12.55736 
1 1 1   15   10   52 o  119.073   7.0668   96.914   11.403   0.0000   0.0000   96.914   11.403  ?   ?   119.073   7.0668      ?      ? 
1 1 1   15   10   53 o  129.520   5.0037  114.772   8.6407   89.138   11.879  143.571   12.591  114.049   7.6863  144.991   6.4084 -30.94242 10.00732 
1 1 1   15   10   54 o  113.173   5.0397   87.697   7.7281   85.863   10.841   89.591   11.020  111.968   7.1447  114.379   7.1095 -2.411240 10.07931 
1 1 1   15   10   55 o   96.500   5.3184   63.940   6.9297   57.020   9.6788   71.218   9.9261   91.087   7.8412  101.913   7.1873 -10.82579 10.63679 
1 1 1   15   10   56 f   89.719   5.6287   55.269   6.7458   43.545   9.2331   68.693   9.8797   79.424   8.5785  100.013   7.2896 -20.58913 11.25741 
1 1 1   15   10   57 o  106.751   5.3279   77.461   7.6022   61.307   10.200   97.651   11.403   94.283   7.9832  119.220   7.0580 -24.93748 10.65582 
1 1 1   15   10   58 o  123.779   5.9244  109.052   9.3976  116.589   11.794   95.945   15.553  130.282   6.6803  117.277   9.7862 13.00497 11.84890 
1 1 1   15   10   59 o   36.468   8.7644   8.5967   5.2629   5.7667   7.1884   11.866   7.7265   32.248   12.121   40.688   12.662 -8.439709 17.52890 
1 1 1   15   10   60 o   92.237   5.5536   58.884   6.9367   56.463   9.6051   61.524   10.029   90.258   7.8530   94.216   7.8548 -3.958328 11.10711 
1 1 1   15   10   61 f  139.405   4.8498  133.975   9.1542  127.708   12.657  140.848   13.256  135.989   6.8683  142.821   6.8490 -6.832413 9.699627 
1 1 1   15   10   62 o  121.804   5.0902  102.585   8.3864   98.770   11.446  107.007   12.323  119.413   7.0730  124.196   7.3222 -4.782486 10.18047 
1 1 1   15   10   63 o   65.795   9.3724   32.203   7.3838   32.028   8.6784   32.660   14.052   67.286   9.5177   64.303   16.149 2.983482 18.74479 
1 1 1   15   10   64 o   77.066   7.9927   40.151   7.6474   36.281   8.9828   50.341   14.577   71.567   9.2622   82.565   13.029 -10.99723 15.98536 
1 1 1   15   10   65 o  115.667   5.1486   92.533   8.0303   81.830   10.808  105.721   11.998  108.228   7.3694  123.105   7.1919 -14.87721 10.29713 
1 1 1   15   10   66 o   43.107   8.5969   13.367   5.3989   8.3785   7.1108   20.157   8.2959   34.846   12.201   51.368   12.114 -16.52205 17.19380 
1 1 1   15   10   67 o   43.172   9.4922   14.462   6.3028   10.404   9.5336   17.612   8.4004   38.685   14.061   47.660   12.755 -8.975574 18.98448 
1 1 1   15   10   68 o   85.114   8.6343   51.596   9.9589   0.0000   0.0000   51.596   9.9589  ?   ?    85.114   8.6343      ?      ? 
1 1 1   15   10   69 o   44.838   9.9032   15.447   6.5514   18.177   10.523   13.719   8.3719   47.585   14.772   42.091   13.194 5.494122 19.80630 
1 1 1   15   10   70 o   67.966   8.2700   35.293   7.1948   33.167   11.441   36.683   9.2535   64.792   13.470   71.140   9.5987 -6.347679 16.53996 
1 1 1   15   10   71 o   38.488   9.2680   10.938   6.3010   3.4156   9.8691   16.115   8.1866   31.833   13.411   45.144   12.796 -13.31067 18.53607 
1 1 1   15   10   72 o   31.394   9.4540   1.1461   7.2979  -4.6961   9.8968   8.1089   10.804   26.256   12.082   36.532   14.544 -10.27684 18.90791 
1 1 1   15   10   73 o   51.070   10.394   20.438   8.5372   7.5157   11.606   35.675   12.602   36.398   14.864   65.741   14.532 -29.34349 20.78788 
1 1 1   15   10   74 o   40.968   15.266   13.096   11.353   13.096   11.353   0.0000   0.0000   40.968   15.266  ?   ?       ?      ? 
1 1 1   15   11    0 o  228.026   4.5478  352.938   14.043  359.944   19.625  345.585   20.104  230.352   6.2869  225.699   6.5730 4.653442 9.095544 
1 1 1   15   11    1 o  244.778   5.9596  390.507   17.729  371.495   20.652  443.782   34.570  234.007   6.5124  255.549   9.9827 -21.54141 11.91914 
1 1 1   15   11    2 o  164.115   6.0797  186.367   11.779  190.131   13.717  175.796   22.990  167.422   6.0459  160.808   10.550 6.614136 12.15931 
1 1 1   15   11    3 o  315.067   6.4098  675.537   25.006  677.385   29.845  671.185   45.807  315.952   6.9705  314.182   10.759 1.769531 12.81963 
1 1 1   15   11    4 o  238.366   4.5881  385.531   14.802  386.405   20.435  384.567   21.468  238.658   6.3186  238.074   6.6542 0.5843048 9.176234 
1 1 1   15   11    5 o  176.944   4.4525  213.722   10.590  243.486   14.913  183.446   15.040  189.465   5.8082  164.424   6.7501 25.04097 8.905005 
1 1 1   15   11    6 o  163.178   4.4333  179.486   9.7688  166.806   13.161  195.040   14.577  156.805   6.1938  169.552   6.3445 -12.74678 8.866517 
1 1 1   15   11    7 o  206.292   4.4449  288.331   12.405  282.360   16.979  295.167   18.167  204.011   6.1415  208.574   6.4274 -4.563080 8.889863 
1 1 1   15   11    8 o  293.590   7.0651  585.020   28.109   0.0000   0.0000  585.020   28.109  ?   ?   293.590   7.0651      ?      ? 
1 1 1   15   11    9 o  415.831   6.8095  1144.13   31.673  1120.91   35.644  1231.30   69.052  406.435   6.4717  425.227   11.983 -18.79166 13.61905 
1 1 1   15   11   10 o  277.518   6.1779  525.457   20.987  528.416   24.868  518.135   39.122  279.046   6.5764  275.991   10.460 3.054352 12.35578 
1 1 1   15   11   11 o  297.590   5.9680  612.110   19.779  620.299   22.407  583.208   42.095  302.402   5.4678  292.777   10.610 9.625336 11.93597 
1 1 1   15   11   12 o  417.786   6.9013  1199.37   32.904  1210.26   37.602  1163.77   67.981  422.288   6.5708  413.285   12.138 9.002869 13.80257 
1 1 1   15   11   13 o  367.199   6.8168  913.643   31.098  908.768   37.136  925.089   56.896  365.828   7.4909  368.572   11.391 -2.743988 13.63366 
1 1 1   15   11   14 o  213.969   5.8382  311.714   15.165  312.545   17.861  309.565   28.709  214.611   6.1414  213.326   9.9309 1.285095 11.67642 
1 1 1   15   11   15 o  201.630   6.7711  275.769   18.446  267.547   24.992  285.608   27.340  198.359   9.2976  204.901   9.8462 -6.541977 13.54229 
1 1 1   15   11   16 o  211.753   6.7749  306.076   19.371  328.557   27.022  282.311   27.783  219.823   9.0711  203.684   10.065 16.13887 13.54988 
1 1 1   15   11   17 o  127.825   6.1080  110.124   9.2252  109.150   10.668  113.010   18.369  126.815   6.2078  128.835   10.521 -2.019936 12.21595 
1 1 1   15   11   18 o  116.149   6.1324   86.718   8.3508   82.164   9.5275  101.813   17.347  110.019   6.3904  122.280   10.468 -12.26115 12.26479 
1 1 1   15   11   19 o   93.741   7.9084   69.503   7.6262   77.048   8.7730   46.167   15.428  106.545   6.0762   80.938   14.603 25.60706 15.81686 
1 1 1   15   11   20 o  184.080   5.7475  230.043   12.783  229.703   14.995  230.947   24.451  183.963   6.0150  184.197   9.7957 -0.2337952 11.49501 
1 1 1   15   11   21 o   58.649   8.9080   30.536   6.1448   36.297   6.9712   10.467   13.011   73.102   7.0372   44.195   16.367 28.90614 17.81593 
1 1 1   15   11   22 o  226.019   5.9017  354.016   16.320  363.362   19.440  331.706   30.036  231.348   6.2009  220.689   10.043 10.65900 11.80330 
1 1 1   15   11   23 o  259.825   5.9729  466.737   18.858  476.766   22.335  441.832   35.197  264.991   6.2197  254.660   10.199 10.33195 11.94589 
1 1 1   15   11   24 o  161.523   5.8635  177.871   10.901  178.259   12.481  176.622   22.379  162.056   5.6835  160.990   10.258 1.065887 11.72701 
1 1 1   15   11   25 o  163.967   5.7030  179.914   10.887  177.196   12.479  188.572   22.274  161.567   5.6996  166.367   9.8798 -4.800064 11.40598 
1 1 1   15   11   26 o   94.398   6.2617   56.071   6.1209   53.760   6.6883   67.985   15.186   88.995   5.5459   99.801   11.228 -10.80630 12.52340 
1 1 1   15   11   27 o   98.636   6.8109   74.194   6.5822   78.451   7.2794   55.110   15.413  107.521   4.9959   89.751   12.673 17.77017 13.62187 
1 1 1   15   11   28 o  169.798   5.4941  195.777   10.145  195.566   11.354  196.610   22.594  169.762   4.9356  169.833   9.8174 -0.7139587E-01 10.98825 
1 1 1   15   11   29 o  202.783   5.4975  281.136   12.251  282.163   13.778  277.259   26.780  203.904   4.9861  201.662   9.7995 2.241638 10.99509 
1 1 1   15   11   30 o   97.221   6.9869   70.569   6.7693   73.947   7.4936   55.584   15.783  104.370   5.2982   90.072   12.930 14.29830 13.97371 
1 1 1   15   11   31 f  141.500   5.7247  134.431   8.6009  133.322   9.5356  139.272   19.919  140.152   5.0207  142.849   10.290 -2.697693 11.44942 
1 1 1   15   11   32 o  245.659   6.0823  413.641   18.405  417.350   21.925  404.790   33.870  247.808   6.5289  243.510   10.264 4.298370 12.16450 
1 1 1   15   11   33 o  249.617   6.5861  423.530   22.279  423.530   22.279   0.0000   0.0000  249.617   6.5861  ?   ?       ?      ? 
1 1 1   15   11   34 o  100.709   5.5892   68.883   7.6277   68.883   7.6277   0.0000   0.0000  100.709   5.5892  ?   ?       ?      ? 
1 1 1   15   11   35 o  176.862   6.4505  212.634   15.460   0.0000   0.0000  212.634   15.460  ?   ?   176.862   6.4505      ?      ? 
1 1 1   15   11   36 o  262.320   4.7535  467.442   16.888  453.202   23.398  482.928   24.400  258.159   6.6881  266.481   6.7567 -8.322235 9.507057 
1 1 1   15   11   37 o  226.108   5.4552  340.889   16.055  373.693   27.269  323.486   19.862  234.126   8.5948  218.090   6.7204 16.03564 10.91031 
1 1 1   15   11   38 o  102.807   5.5736   68.212   7.5474   51.723   9.5525   95.607   12.313   87.126   8.0907  118.488   7.6682 -31.36202 11.14723 
1 1 1   15   11   39 o  165.199   4.5388  186.128   10.116  206.356   14.309  165.919   14.302  174.230   6.0604  156.168   6.7583 18.06253 9.077614 
1 1 1   15   11   40 o  222.050   4.5591  334.545   13.702  317.152   18.835  354.094   19.969  215.936   6.4367  228.163   6.4583 -12.22690 9.118156 
1 1 1   15   11   41 o   98.289   5.2238   65.572   6.9415   59.695   9.5311   72.210   10.130   93.607   7.5137  102.971   7.2593 -9.364479 10.44764 
1 1 1   15   11   42 o  124.166   4.7128  104.727   7.9167   96.616   10.953  113.600   11.456  119.132   6.7843  129.201   6.5432 -10.06882 9.425545 
1 1 1   15   11   43 o   90.846   5.3145   56.265   6.5004   48.113   9.0281   65.040   9.3670   83.981   7.9330   97.710   7.0742 -13.72987 10.62904 
1 1 1   15   11   44 o  150.849   4.6191  154.793   9.4374  148.250   13.132  161.781   13.571  147.552   6.5677  154.146   6.4970 -6.594864 9.238277 
1 1 1   15   11   45 o  105.248   5.0337   75.486   7.1738   71.423   10.031   79.740   10.264  102.340   7.2327  108.156   7.0030 -5.815987 10.06746 
1 1 1   15   11   46 o   90.499   7.2196   54.162   7.9618   51.627   9.2985   61.127   15.413   86.929   7.8934   94.069   12.091 -7.139816 14.43918 
1 1 1   15   11   47 o  136.922   7.0863  130.465   12.941  140.363   17.284  117.838   19.522  143.110   8.9124  130.733   11.020 12.37679 14.17253 
1 1 1   15   11   48 o  119.955   6.0020   96.809   9.1554  103.780   16.252   93.567   11.081  122.844   9.7625  117.065   6.9851 5.778999 12.00409 
1 1 1   15   11   49 o   96.088   5.4130   63.197   7.0401   67.201   10.019   59.292   9.8950   99.119   7.4588   93.057   7.8467 6.062157 10.82604 
1 1 1   15   11   50 o   99.807   5.3874   68.252   7.1610   52.555   9.8436   85.898   10.437   87.511   8.3006  112.103   6.8701 -24.59190 10.77486 
1 1 1   15   11   51 o   89.581   5.7324   55.345   6.9034   47.249   9.7352   63.534   9.7908   82.877   8.6682   96.284   7.5037 -13.40774 11.46489 
1 1 1   15   11   52 o  112.542   6.1175   87.697   8.8512   85.764   15.023   88.724   10.954  111.288   9.9616  113.796   7.1036 -2.508492 12.23501 
1 1 1   15   11   53 o   67.990   7.6115   31.078   6.8130   36.966   11.375   27.784   8.5080   72.696   11.546   63.284   9.9208 9.411674 15.22309 
1 1 1   15   11   54 o  131.613   5.6634  118.307   9.7255  115.516   12.145  123.298   16.237  129.751   6.9072  133.475   8.9770 -3.724808 11.32682 
1 1 1   15   11   55 o   86.879   5.7087   51.920   6.7086   48.483   9.1715   55.874   9.8382   83.797   8.0766   89.960   8.0702 -6.162827 11.41747 
1 1 1   15   11   56 o   93.664   5.4361   60.460   6.8759   53.818   9.5220   67.697   9.9394   88.234   7.9636   99.094   7.4016 -10.85960 10.87212 
1 1 1   15   11   57 o   89.450   5.5770   55.299   6.7487   50.954   9.3574   60.009   9.7426   85.754   8.0522   93.146   7.7184 -7.391785 11.15401 
1 1 1   15   11   58 f   34.455   8.2140   6.5752   5.1537   13.697   7.2733  -0.6054   7.3035   43.111   12.006   25.799   11.213 17.31221 16.42793 
1 1 1   15   11   59 o   80.020   6.0332   44.760   6.5326   46.688   9.1464   42.753   9.3335   81.858   8.2453   78.181   8.8097 3.677467 12.06631 
1 1 1   15   11   60 o   60.719   7.3849   26.544   5.9336   24.159   8.2659   29.080   8.5228   57.311   11.044   64.126   9.8076 -6.815075 14.76983 
1 1 1   15   11   61 o   99.592   5.3694   68.976   7.2345   63.669   10.004   74.792   10.474   95.537   7.7275  103.648   7.4571 -8.111267 10.73887 
1 1 1   15   11   62 f   74.773   6.2217   39.228   6.2771   34.551   8.5582   44.674   9.2345   69.895   9.0355   79.651   8.5554 -9.755257 12.44331 
1 1 1   15   11   63 o   35.851   10.009   4.9756   7.3086  -0.2821   9.4213   12.921   11.582   28.990   12.666   42.712   15.502 -13.72121 20.01860 
1 1 1   15   11   64 o   48.423   9.8965   14.281   7.8550   1.8976   10.038   33.841   12.616   31.345   13.378   65.501   14.587 -34.15514 19.79296 
1 1 1   15   11   65 o   34.113   8.9505   6.6816   6.0371  -1.1085   9.4906   11.976   7.8241   28.322   12.530   39.903   12.785 -11.58071 17.90099 
1 1 1   15   11   66 o   52.305   8.1886   23.170   6.7983   1.9796   10.641   37.786   8.8371   31.917   13.702   72.693   8.9709 -40.77557 16.37718 
1 1 1   15   11   67 o   31.220   8.9404   3.3275   5.9470   8.5845   9.2474  -0.3801   7.7659   36.278   13.723   26.163   11.463 10.11458 17.88087 
1 1 1   15   11   68 o   73.569   9.5117   39.184   9.4828   0.0000   0.0000   39.184   9.4828  ?   ?    73.569   9.5117      ?      ? 
1 1 1   15   11   69 o   69.206   14.254   38.535   12.923   0.0000   0.0000   38.535   12.923  ?   ?    69.206   14.254      ?      ? 
1 1 1   15   11   70 o   52.084   10.622   22.124   8.2100   14.663   11.208   30.764   12.061   43.105   15.297   61.064   14.742 -17.95926 21.24482 
1 1 1   15   12    0 o  152.153   4.5634  155.781   9.3688  139.872   12.615  175.349   13.990  143.563   6.4843  160.744   6.4227 -17.18085 9.126719 
1 1 1   15   12    1 o  228.281   4.6278  353.905   14.300  359.095   19.848  348.302   20.622  230.032   6.3670  226.529   6.7176 3.503128 9.255547 
1 1 1   15   12    2 o  354.811   7.6600  854.948   36.830   0.0000   0.0000  854.948   36.830  ?   ?   354.811   7.6600      ?      ? 
1 1 1   15   12    3 o  385.349   7.9460  1008.66   41.494   0.0000   0.0000  1008.66   41.494  ?   ?   385.349   7.9460      ?      ? 
1 1 1   15   12    4 f  230.247   4.6068  360.737   14.333  387.949   20.126  332.737   20.416  239.098   6.2117  221.397   6.8047 17.70102 9.213543 
1 1 1   15   12    5 o  152.285   4.5335  155.416   9.2965  137.648   12.371  178.467   14.091  142.411   6.4103  162.158   6.4122 -19.74701 9.066932 
1 1 1   15   12    6 o  123.700   4.7063  104.724   7.8123  111.728   10.571   96.295   11.597  128.314   6.0794  119.086   7.1861 9.227524 9.412691 
1 1 1   15   12    7 o  127.229   6.5800  113.093   9.4827  115.712   10.844  104.577   19.551  130.578   6.1280  123.880   11.646 6.697670 13.15992 
1 1 1   15   12    8 o  177.904   6.0050  218.618   12.662  222.495   14.766  207.847   24.611  181.070   6.0178  174.739   10.394 6.330795 12.00996 
1 1 1   15   12    9 o  145.309   5.9525  137.865   10.260  132.234   11.804  155.267   20.751  139.581   6.2404  151.038   10.138 -11.45734 11.90495 
1 1 1   15   12   10 o  186.853   6.8949  237.266   17.428  232.652   23.855  242.548   25.524  184.926   9.5191  188.780   9.9772 -3.854401 13.78978 
1 1 1   15   12   11 o  146.219   7.1117  145.551   14.059  145.777   19.252  145.294   20.580  146.363   9.7066  146.075   10.397 0.2885437 14.22347 
1 1 1   15   12   12 o  143.398   5.6919  135.078   8.4549  132.604   9.2842  147.100   20.466  139.816   4.9001  146.980   10.275 -7.164169 11.38381 
1 1 1   15   12   13 o  147.455   5.7902  146.716   8.7209  146.155   9.5733  149.451   21.142  146.788   4.8127  148.123   10.533 -1.334763 11.58032 
1 1 1   15   12   14 o  200.429   5.7986  265.418   13.993  256.846   16.263  289.854   27.459  194.516   6.1695  206.342   9.8200 -11.82593 11.59717 
1 1 1   15   12   15 o  167.078   5.5708  185.072   9.8491  182.354   10.891  197.275   23.077  163.953   4.9018  170.203   10.005 -6.250183 11.14159 
1 1 1   15   12   16 o  206.102   5.7772  288.170   13.969  287.532   16.123  290.090   27.980  205.822   5.7804  206.381   10.005 -0.5588074 11.55438 
1 1 1   15   12   17 o  146.348   5.9533  145.863   9.7522  146.017   11.035  145.314   20.842  146.680   5.5514  146.017   10.533 0.6625824 11.90654 
1 1 1   15   12   18 o  158.435   5.9025  173.235   10.625  175.398   12.130  166.107   22.021  160.757   5.5683  156.113   10.409 4.643738 11.80499 
1 1 1   15   12   19 o  149.392   5.8148  152.210   8.9213  152.436   9.8206  151.146   21.341  149.893   4.8347  148.890   10.577 1.003143 11.62969 
1 1 1   15   12   20 o  283.843   5.9043  545.314   18.455  543.339   20.731  552.858   40.509  282.940   5.4070  284.746   10.498 -1.806488 11.80865 
1 1 1   15   12   21 o  293.283   5.8621  562.410   18.853  547.237   21.031  624.479   42.536  283.941   5.4658  302.625   10.372 -18.68433 11.72421 
1 1 1   15   12   22 o  237.616   5.6903  378.650   14.650  375.102   16.342  393.167   33.059  235.099   5.1294  240.134   10.159 -5.034470 11.38069 
1 1 1   15   12   23 o  305.717   6.0562  634.792   20.551  633.760   23.166  638.604   44.532  305.535   5.5950  305.898   10.743 -0.3631897 12.11239 
1 1 1   15   12   24 o  210.223   5.7535  305.511   12.998  308.683   14.534  292.833   29.058  213.268   5.0288  207.177   10.350 6.091446 11.50704 
1 1 1   15   12   25 o  168.370   5.6956  190.258   10.100  188.719   11.171  197.146   23.641  166.756   4.9432  169.984   10.263 -3.228333 11.39128 
1 1 1   15   12   26 o  125.077   6.0232  102.958   7.8525  101.020   8.6375  112.190   18.851  121.990   5.2249  128.163   10.854 -6.173691 12.04632 
1 1 1   15   12   27 o  176.872   5.0089  212.342   12.006  212.342   12.006   0.0000   0.0000  176.872   5.0089  ?   ?       ?      ? 
1 1 1   15   12   28 o  168.491   6.3387  192.913   14.473  192.913   14.473   0.0000   0.0000  168.491   6.3387  ?   ?       ?      ? 
1 1 1   15   12   29 o  348.879   7.4122  828.073   35.043  828.073   35.043   0.0000   0.0000  348.879   7.4122  ?   ?       ?      ? 
1 1 1   15   12   30 o  304.406   6.3866  626.138   24.047  618.125   28.575  645.584   44.514  301.476   6.9943  307.337   10.688 -5.860809 12.77328 
1 1 1   15   12   31 o   99.589   6.8660   63.904   8.3507   59.419   9.7204   76.541   16.315   93.429   7.6775  105.748   11.385 -12.31855 13.73199 
1 1 1   15   12   32 o  124.162   5.9086   92.898   7.9764   85.737   8.7881  126.375   19.002  112.337   5.7728  135.987   10.311 -23.64950 11.81725 
1 1 1   15   12   33 o   40.718   9.5521   11.247   5.5574   12.679   6.1539   4.9127   12.940   42.250   10.728   39.187   15.807 3.062843 19.10429 
1 1 1   15   12   34 o  111.295   6.4524   86.210   7.5989   87.265   8.4613   81.812   17.277  113.340   5.5090  109.250   11.670 4.089828 12.90472 
1 1 1   15   12   35 o  175.756   5.6288  207.316   10.863  205.124   12.171  215.904   24.087  173.788   5.1679  177.724   10.001 -3.935745 11.25754 
1 1 1   15   12   36 f  225.548   5.8490  358.806   14.612  368.244   16.582  326.009   30.912  232.833   5.2555  218.264   10.451 14.56911 11.69802 
1 1 1   15   12   37 f  106.194   6.9699   83.487   7.7294   87.699   8.6688   67.152   17.072  113.597   5.6313   98.791   12.752 14.80553 13.93989 
1 1 1   15   12   38 o  108.423   6.5348   79.339   7.5986   78.715   8.4534   81.967   17.341  107.603   5.7972  109.243   11.713 -1.640022 13.06956 
1 1 1   15   12   39 o  100.184   7.0048   67.552   8.2958   66.372   9.5799   71.089   16.587   98.708   7.1619  101.660   12.041 -2.951569 14.00961 
1 1 1   15   12   40 o   74.555   5.9255   38.345   5.9026   31.209   8.3866   45.350   8.3089   67.555   9.1611   81.556   7.5180 -14.00117 11.85106 
1 1 1   15   12   41 o  101.954   5.8813   67.184   7.8090   85.097   13.513   58.202   9.5685  111.544   8.9397   92.364   7.6446 19.17989 11.76258 
1 1 1   15   12   42 o  126.697   6.3485  110.633   10.818  101.194   15.840  118.884   14.810  121.502   9.6203  131.891   8.2864 -10.38905 12.69708 
1 1 1   15   12   43 o  136.143   5.8276  131.469   10.129  111.195   16.710  143.245   12.735  127.299   9.6865  144.988   6.4818 -17.68905 11.65511 
1 1 1   15   12   44 o   83.097   5.6579   47.265   6.3605   46.469   9.2208   47.988   8.7853   82.404   8.2573   83.791   7.7371 -1.386642 11.31573 
1 1 1   15   12   45 o  120.668   6.7034   97.962   9.6007   95.771   11.100  104.469   19.127  118.441   6.9159  122.895   11.485 -4.453178 13.40673 
1 1 1   15   12   46 f  149.292   6.3201  154.779   11.340  156.849   13.320  149.330   21.612  151.603   6.4838  146.981   10.851 4.621567 12.64017 
1 1 1   15   12   47 o   94.883   5.4995   61.459   7.0488   54.969   9.6804   68.784   10.284   89.543   7.9778  100.223   7.5720 -10.68034 10.99905 
1 1 1   15   12   48 o  122.276   7.1374  102.348   11.827   0.0000   0.0000  102.348   11.827  ?   ?   122.276   7.1374      ?      ? 
1 1 1   15   12   49 o   78.150   6.2197   42.095   6.5408   35.833   9.0880   48.825   9.4212   72.040   9.3092   84.260   8.2509 -12.22056 12.43940 
1 1 1   15   12   50 o   88.387   6.3491   51.771   7.4202   44.466   9.3256   64.376   12.250   80.308   8.5691   96.466   9.3710 -16.15774 12.69820 
1 1 1   15   12   51 o  124.241   4.9832  106.239   8.3609  115.301   11.757   96.966   11.893  129.695   6.6893  118.786   7.3880 10.90874 9.966390 
1 1 1   15   12   52 o   81.019   7.2097   47.054   7.5195   41.231   12.296   50.532   9.5038   76.492   11.862   85.546   8.1982 -9.053383 14.41942 
1 1 1   15   12   53 o   83.305   5.9090   47.782   6.5799   37.838   8.9605   59.421   9.6935   73.815   8.9579   92.795   7.7085 -18.98000 11.81797 
1 1 1   15   12   54 o  138.023   4.8478  131.138   9.0632  136.276   12.869  126.083   12.766  140.739   6.7478  135.307   6.9622 5.432068 9.695656 
1 1 1   15   12   55 o  126.198   5.0245  109.898   8.5422   94.820   11.870  126.094   12.302  117.095   7.4805  135.300   6.7098 -18.20426 10.04891 
1 1 1   15   12   56 o   88.189   5.7769   54.137   6.8990   56.231   9.7336   52.022   9.7799   89.955   7.9848   86.422   8.3508 3.533257 11.55390 
1 1 1   15   12   57 o   86.484   5.7486   52.116   6.7320   51.562   9.3190   52.721   9.7358   86.044   7.9922   86.924   8.2651 -0.8800888 11.49726 
1 1 1   15   12   58 o   50.163   8.2924   18.774   5.5299   18.039   7.6047   19.599   8.0555   49.146   11.604   51.179   11.849 -2.033436 16.58472 
1 1 1   15   12   59 o   51.987   8.1371   20.307   5.5801   21.810   7.6941   18.639   8.1046   54.295   10.837   49.679   12.141 4.616535 16.27425 
1 1 1   15   12   60 o   42.856   9.0356   10.382   6.1350   25.098   10.347   2.4051   7.6185   57.007   13.587   28.704   11.915 28.30220 18.07113 
1 1 1   15   12   61 o   45.281   9.5511   16.226   6.5196   10.513   10.489   19.822   8.3225   39.600   14.690   50.962   12.211 -11.36186 19.10230 
1 1 1   15   12   62 o   57.284   9.1103   25.649   6.7983   23.517   10.798   27.049   8.7501   54.457   14.409   60.110   11.153 -5.652138 18.22065 
1 1 1   15   12   63 o   53.736   11.019   23.178   8.3612   21.884   10.760   25.150   13.284   52.295   14.616   55.178   16.494 -2.882080 22.03807 
1 1 1   15   12   64 o   76.713   9.5583   43.803   9.5088   31.521   12.354   61.657   14.895   62.560   14.803   90.867   12.096 -28.30671 19.11666 
1 1 1   15   12   65 o   39.351   9.6445   11.616   6.5275   5.8771   10.775   14.943   8.2045   34.975   14.307   43.727   12.937 -8.751694 19.28904 
1 1 1   15   12   66 o   76.390   9.3121   45.073   9.4004   40.183   12.977   50.473   13.636   71.080   13.970   81.700   12.316 -10.61981 18.62413 
1 1 1   15   13    0 o  356.933   5.3938  864.534   26.066  841.336   35.938  890.281   37.861  351.899   7.5362  361.966   7.7187 -10.06702 10.78766 
1 1 1   15   13    1 o  301.131   5.0261  615.604   20.491  608.933   28.307  622.949   29.701  299.432   6.9762  302.831   7.2374 -3.399261 10.05221 
1 1 1   15   13    2 o  269.204   4.8491  492.156   17.675  491.873   24.498  492.462   25.526  269.136   6.7171  269.272   6.9954 -0.1362305 9.698210 
1 1 1   15   13    3 o  251.753   4.7954  430.751   16.340  438.296   22.682  422.608   23.561  254.064   6.5879  249.443   6.9702 4.620300 9.590818 
1 1 1   15   13    4 o  237.588   6.8378  353.488   21.081  278.167   25.724  507.498   36.784  202.172   9.3895  273.004   9.9428 -70.83238 13.67560 
1 1 1   15   13    5 o  212.281   10.342  306.990   29.750   0.0000   0.0000  306.990   29.750  ?   ?   212.281   10.342      ?      ? 
1 1 1   15   13    6 o  273.379   5.6622  496.980   20.269  550.183   33.997  467.640   25.246  284.387   8.8216  262.372   7.1006 22.01501 11.32431 
1 1 1   15   13    7 o  156.438   5.3944  170.244   11.167  139.309   16.620  195.707   15.078  143.114   8.5696  169.762   6.5544 -26.64781 10.78882 
1 1 1   15   13    8 o  269.976   5.6149  482.767   19.869  544.694   33.350  448.691   24.739  282.963   8.6974  256.990   7.1038 25.97275 11.22978 
1 1 1   15   13    9 o  385.961   7.0601  1009.52   33.982  1001.40   40.674  1028.27   61.834  383.805   7.8204  388.116   11.757 -4.311035 14.12013 
1 1 1   15   13   10 o  255.526   5.7867  438.103   16.142  434.086   18.052  454.120   36.049  252.918   5.2671  258.133   10.305 -5.215073 11.57349 
1 1 1   15   13   11 o  304.301   5.9950  608.379   20.048  593.772   22.396  667.279   44.972  295.770   5.5878  312.833   10.608 -17.06277 11.99007 
1 1 1   15   13   12 o  197.901   5.9393  286.234   12.460  299.887   14.019  234.884   27.188  210.234   4.9209  185.569   10.811 24.66490 11.87867 
1 1 1   15   13   13 o   95.401   6.6628   53.371   6.2583   49.965   6.7259   75.348   17.083   85.789   5.7854  105.012   12.004 -19.22339 13.32563 
1 1 1   15   13   14 o  255.361   5.8425  448.607   16.310  452.132   18.328  435.189   35.754  258.108   5.2399  252.614   10.444 5.494415 11.68508 
1 1 1   15   13   15 o  213.213   5.7374  309.059   13.082  308.938   14.563  309.566   29.768  213.366   5.0368  213.060   10.310 0.3059998 11.47482 
1 1 1   15   13   16 o  240.083   5.7518  393.035   15.040  393.642   16.852  390.660   33.339  240.832   5.1638  239.333   10.280 1.499664 11.50363 
1 1 1   15   13   17 o  240.477   5.7995  398.141   15.198  401.383   17.061  385.680   33.444  243.183   5.1771  237.770   10.380 5.413635 11.59906 
1 1 1   15   13   18 o  136.063   6.4544  129.780   10.143  133.352   11.712  119.064   20.286  140.116   6.1681  132.010   11.340 8.105591 12.90877 
1 1 1   15   13   19 o  223.310   6.1037  340.507   16.416  341.642   19.246  337.476   31.448  224.249   6.3333  222.371   10.436 1.878052 12.20731 
1 1 1   15   13   20 o  222.233   6.3433  335.549   19.103  335.549   19.103   0.0000   0.0000  222.233   6.3433  ?   ?       ?      ? 
1 1 1   15   13   21 o  266.574   6.6582  482.977   24.052  482.977   24.052   0.0000   0.0000  266.574   6.6582  ?   ?       ?      ? 
1 1 1   15   13   22 o  260.408   6.5696  460.890   23.183  460.890   23.183   0.0000   0.0000  260.408   6.5696  ?   ?       ?      ? 
1 1 1   15   13   23 o  160.494   6.0640  183.311   10.117  188.036   11.247  163.291   23.154  166.437   4.9868  154.551   11.055 11.88564 12.12801 
1 1 1   15   13   24 o  162.848   5.7855  180.122   9.9835  179.842   11.080  181.334   23.015  162.764   5.0236  162.931   10.424 -0.1667328 11.57099 
1 1 1   15   13   25 o  189.338   5.7460  246.474   11.692  248.010   13.060  240.267   26.245  191.133   5.0423  187.544   10.327 3.589447 11.49191 
1 1 1   15   13   26 o  321.053   6.2163  704.654   22.335  706.231   25.281  699.049   47.672  322.423   5.7861  319.684   11.004 2.739471 12.43268 
1 1 1   15   13   27 o   91.637   7.2916   53.501   6.9822   51.447   7.6544   63.678   17.038   86.990   6.4933   96.284   13.058 -9.294579 14.58317 
1 1 1   15   13   28 o  120.620   6.9923  111.371   8.5932  119.030   9.6286   81.393   19.049  132.384   5.3671  108.855   12.914 23.52924 13.98456 
1 1 1   15   13   29 o  135.068   5.9491  115.496   8.5976  110.381   9.4798  139.206   20.410  127.473   5.4878  142.664   10.557 -15.19071 11.89815 
1 1 1   15   13   30 o  133.299   6.2606  126.426   8.7478  129.676   9.7490  113.000   19.817  138.179   5.2064  128.419   11.387 9.760406 12.52115 
1 1 1   15   13   31 o   48.759   9.4133   17.691   5.5467   19.100   6.0500   10.265   13.890   52.925   8.4355   44.594   16.831 8.331482 18.82656 
1 1 1   15   13   32 o  118.214   6.2206   93.150   7.9083   91.759   8.7903   99.056   18.114  116.204   5.5821  120.224   11.119 -4.019554 12.44121 
1 1 1   15   13   33 o   66.550   8.9971   32.419   6.1642   33.248   6.8351   28.809   14.267   69.874   7.2185   63.225   16.483 6.649845 17.99430 
1 1 1   15   13   34 o   93.803   6.8988   56.374   7.0155   54.016   7.7733   66.731   16.290   89.101   6.4379   98.506   12.203 -9.405197 13.79753 
1 1 1   15   13   35 o  132.432   6.1436  118.088   8.7955  116.989   9.8067  122.606   19.888  131.190   5.5161  133.673   10.979 -2.482269 12.28712 
1 1 1   15   13   36 o   98.033   6.6927   61.558   7.2539   58.725   8.0857   73.237   16.420   92.885   6.4238  103.180   11.743 -10.29533 13.38533 
1 1 1   15   13   37 o  152.098   6.2100  156.357   11.435  154.179   13.395  162.210   21.958  150.467   6.5694  153.729   10.540 -3.261688 12.42002 
1 1 1   15   13   38 o  148.278   6.4134  155.686   11.417  162.358   13.511  139.024   21.350  154.396   6.4575  142.160   11.083 12.23686 12.82674 
1 1 1   15   13   39 o  146.295   6.0967  147.077   9.8771  147.551   11.141  145.337   21.348  147.264   5.5828  145.327   10.840 1.937531 12.19336 
1 1 1   15   13   40 o  149.352   5.8923  147.495   9.7241  143.901   10.887  161.673   21.623  145.416   5.5248  153.289   10.409 -7.873215 11.78460 
1 1 1   15   13   41 o   56.144   9.6192   21.438   6.1542   20.971   6.8486   23.396   14.027   55.280   9.1423   57.008   16.927 -1.728313 19.23842 
1 1 1   15   13   42 o  171.715   5.9091  202.650   11.155  203.060   12.547  201.104   24.367  172.706   5.3609  170.724   10.532 1.982758 11.81817 
1 1 1   15   13   43 o   58.625   9.7589   24.195   6.3503   24.164   7.0274   24.332   14.828   59.317   8.7425   57.933   17.450 1.383476 19.51789 
1 1 1   15   13   44 o  142.300   6.2986  135.862   10.918  131.632   12.792  147.212   20.953  138.766   6.8026  145.833   10.603 -7.067413 12.59728 
1 1 1   15   13   45 o  144.220   9.3021  143.464   18.180  143.464   18.180   0.0000   0.0000  144.220   9.3021  ?   ?       ?      ? 
1 1 1   15   13   46 o  123.948   6.4464  105.040   10.745  113.951   16.461   98.423   14.185  128.398   9.4603  119.497   8.7595 8.900642 12.89285 
1 1 1   15   13   47 o   45.538   7.6413   14.828   5.2644   4.5640   7.5572   24.504   7.3377   31.537   12.282   59.539   9.0943 -28.00224 15.28253 
1 1 1   15   13   48 o   73.744   6.0992   37.553   6.0754   33.640   8.4620   41.716   8.7279   69.726   8.9556   77.763   8.2824 -8.036934 12.19839 
1 1 1   15   13   49 o  101.572   5.2677   70.901   7.1965   59.796   9.9308   83.182   10.443   93.117   7.8700  110.026   7.0042 -16.90967 10.53543 
1 1 1   15   13   50 o  147.091   4.7411  148.692   9.4469  150.262   13.225  147.057   13.499  147.916   6.5977  146.266   6.8105 1.649963 9.482239 
1 1 1   15   13   51 o   75.306   8.1953   44.417   7.3347   29.923   12.068   52.908   9.2367   63.143   14.420   87.470   7.7924 -24.32735 16.39056 
1 1 1   15   13   52 o   77.870   7.1725   42.826   7.2332   41.960   12.068   43.312   9.0362   76.818   11.593   78.922   8.4490 -2.103790 14.34493 
1 1 1   15   13   53 o   80.562   6.0034   45.295   6.4637   36.128   8.9431   55.322   9.3527   71.821   9.1887   89.302   7.7285 -17.48055 12.00675 
1 1 1   15   13   54 o   62.306   7.3245   27.790   5.9829   22.734   8.1990   33.548   8.7500   55.538   11.279   69.073   9.3479 -13.53506 14.64909 
1 1 1   15   13   55 o   92.037   5.5714   59.204   6.9283   63.591   9.7284   54.689   9.8695   95.625   7.5073   88.450   8.2341 7.175423 11.14273 
1 1 1   15   13   56 o  102.938   6.4945   72.947   8.6152   81.119   14.968   68.899   10.535  106.562   10.365   99.313   7.8282 7.249359 12.98899 
1 1 1   15   13   57 o   63.712   9.1879   35.347   7.3363   17.906   12.747   43.985   8.9708   48.347   16.358   79.077   8.3715 -30.72922 18.37573 
1 1 1   15   13   58 o   43.402   9.6495   14.801   6.5038   8.5824   11.314   17.870   7.9481   38.380   15.006   48.425   12.136 -10.04587 19.29897 
1 1 1   15   13   59 o   62.117   8.8928   28.812   7.0287   32.292   11.622   26.805   8.8256   64.438   13.730   59.795   11.306 4.642735 17.78569 
1 1 1   15   13   60 o   58.876   8.9515   26.762   6.8274   24.764   11.265   27.921   8.5836   55.628   14.716   62.124   10.196 -6.496693 17.90299 
1 1 1   15   13   61 o   56.207   9.3980   24.843   6.9260   24.244   11.117   25.224   8.8543   54.892   14.666   57.522   11.756 -2.629917 18.79601 
1 1 1   15   13   62 o   58.607   10.625   27.953   8.4695   27.794   11.647   28.131   12.338   58.629   14.690   58.585   15.355 0.4378891E-01 21.24998 
1 1 1   15   14    0 o  144.365   6.3802  138.253   11.706  152.306   20.937  131.861   14.119  149.457   10.337  139.272   7.4811 10.18417 12.76045 
1 1 1   15   14    1 o  306.485   6.4173  632.735   25.013  659.358   44.134  620.136   30.359  310.935   10.474  302.034   7.4174 8.900421 12.83456 
1 1 1   15   14    2 o  389.928   7.0668  1026.32   35.022  1065.35   61.805  1007.86   42.505  394.945   11.548  384.910   8.1488 10.03543 14.13354 
1 1 1   15   14    3 o  169.727   4.7079  195.814   10.781  196.804   14.601  194.628   15.987  170.221   6.3295  169.234   6.9709 0.9876862 9.415736 
1 1 1   15   14    4 o  149.869   4.7390  153.306   9.5653  160.247   13.014  145.150   14.107  153.603   6.2521  146.136   7.1234 7.467026 9.477932 
1 1 1   15   14    5 o   85.882   5.7669   48.649   6.6077   40.889   8.5109   60.426   10.484   77.525   8.1012   94.239   8.2096 -16.71324 11.53376 
1 1 1   15   14    6 o  155.973   4.6521  164.874   9.7906  161.084   13.181  169.539   14.623  153.995   6.3161  157.951   6.8318 -3.956207 9.304141 
1 1 1   15   14    7 o  138.786   4.7572  129.645   8.9000  118.941   11.867  143.403   13.455  132.308   6.6188  145.264   6.8350 -12.95651 9.514480 
1 1 1   15   14    8 o   83.893   5.7549   48.982   6.3651   53.947   8.3743   42.189   9.7952   89.091   6.9363   78.695   9.1850 10.39610 11.50988 
1 1 1   15   14    9 o   92.973   5.6164   55.783   6.7926   37.752   8.6666   84.499   10.937   74.464   8.5886  111.483   7.2395 -37.01853 11.23274 
1 1 1   15   14   10 o  104.969   7.0732   76.300   7.1084   76.787   7.7079   73.528   18.383  106.355   5.3481  103.584   13.096 2.770393 14.14631 
1 1 1   15   14   11 o  137.582   5.0660  128.478   9.4451  128.478   9.4451   0.0000   0.0000  137.582   5.0660  ?   ?       ?      ? 
1 1 1   15   14   12 o  147.068   5.0089  146.802   9.9826  146.802   9.9826   0.0000   0.0000  147.068   5.0089  ?   ?       ?      ? 
1 1 1   15   14   13 o  204.860   5.0617  284.866   14.052  284.866   14.052   0.0000   0.0000  204.860   5.0617  ?   ?       ?      ? 
1 1 1   15   14   14 o  192.096   5.0380  250.479   13.115  250.479   13.115   0.0000   0.0000  192.096   5.0380  ?   ?       ?      ? 
1 1 1   15   14   15 o  193.003   5.9567  258.959   12.081  262.154   13.423  245.333   27.719  196.519   5.0403  189.488   10.795 7.030563 11.91344 
1 1 1   15   14   16 o  242.761   5.8305  385.319   15.173  375.663   16.807  427.867   35.279  235.223   5.2726  250.298   10.401 -15.07558 11.66107 
1 1 1   15   14   17 o  106.876   7.3284   84.576   7.4560   87.585   8.1423   68.947   18.556  113.575   5.2903  100.176   13.669 13.39898 14.65685 
1 1 1   15   14   18 o  216.501   5.8895  323.642   13.623  326.453   15.198  312.149   30.731  219.281   5.1143  213.721   10.611 5.559921 11.77907 
1 1 1   15   14   19 o  194.445   5.8824  259.882   12.131  261.321   13.491  253.810   27.717  196.190   5.0745  192.701   10.614 3.488861 11.76472 
1 1 1   15   14   20 o  191.394   5.9321  255.538   12.059  259.331   13.450  239.998   27.222  195.437   5.0785  187.351   10.722 8.086441 11.86425 
1 1 1   15   14   21 o  143.954   6.5381  145.814   9.5303  148.174   10.495  134.717   22.758  147.716   5.2429  140.193   11.979 7.522766 13.07611 
1 1 1   15   14   22 o  190.256   6.0901  250.242   12.168  252.327   13.504  241.238   28.060  192.764   5.1695  187.748   11.029 5.016418 12.18012 
1 1 1   15   14   23 o  186.941   6.0457  239.482   11.888  240.218   13.182  236.273   27.519  188.078   5.1720  185.804   10.929 2.273926 12.09139 
1 1 1   15   14   24 o  168.242   6.2762  205.971   10.946  213.950   12.207  173.209   24.735  177.500   5.0748  158.985   11.481 18.51527 12.55240 
1 1 1   15   14   25 o  189.994   6.0167  255.966   12.172  262.475   13.627  230.282   27.070  196.592   5.1151  183.396   10.892 13.19620 12.03346 
1 1 1   15   14   26 o  119.507   6.9363  106.403   8.3812  111.534   9.3129   84.542   19.224  128.133   5.3634  110.881   12.794 17.25169 13.87254 
1 1 1   15   14   27 o  211.162   5.8190  300.885   13.457  298.703   15.076  309.437   29.848  209.687   5.3056  212.637   10.358 -2.950180 11.63810 
1 1 1   15   14   28 o  232.845   5.8946  365.155   15.034  361.931   16.837  377.830   33.385  230.796   5.3834  234.894   10.488 -4.097763 11.78919 
1 1 1   15   14   29 o  275.136   5.9910  509.642   18.291  504.534   20.576  528.883   39.933  272.453   5.5731  277.819   10.607 -5.365479 11.98198 
1 1 1   15   14   30 o  208.071   5.8918  297.384   13.440  298.751   15.109  292.199   29.423  209.670   5.3175  206.473   10.516 3.196915 11.78364 
1 1 1   15   14   31 o  192.467   5.7817  245.052   12.207  239.781   13.639  266.282   27.371  187.823   5.3585  197.112   10.247 -9.288574 11.56340 
1 1 1   15   14   32 o   90.850   8.0388   58.374   8.3524   59.888   9.6046   53.676   16.917   93.707   7.5636   87.993   14.187 5.713814 16.07763 
1 1 1   15   14   33 o  184.342   6.3349  244.308   13.981  260.014   16.626  206.372   25.838  195.428   6.2778  173.255   11.005 22.17326 12.66981 
1 1 1   15   14   34 o  113.193   6.4291   77.302   7.9193   71.121   8.7254  106.191   18.864  102.193   6.3007  124.193   11.209 -22.00019 12.85824 
1 1 1   15   14   35 o  134.281   6.5294  131.689   9.3206  137.322   10.486  110.487   20.344  142.074   5.4464  126.487   11.869 15.58778 13.05886 
1 1 1   15   14   36 o  196.800   6.2109  287.786   13.302  305.949   15.171  227.406   27.661  212.064   5.2792  181.536   11.244 30.52890 12.42174 
1 1 1   15   14   37 o  177.194   5.9311  217.361   11.571  219.058   13.041  211.080   25.088  179.405   5.3640  174.984   10.580 4.420898 11.86216 
1 1 1   15   14   38 o  112.225   6.7629   88.264   8.1394   89.356   9.1056   83.921   18.156  114.510   5.8679  109.939   12.187 4.570717 13.52583 
1 1 1   15   14   39 o  120.017   6.5510   96.308   8.4226   94.587   9.3480  103.730   19.415  117.792   5.8563  122.242   11.720 -4.449867 13.10207 
1 1 1   15   14   40 o  191.124   5.4113  248.891   14.015  248.891   14.015   0.0000   0.0000  191.124   5.4113  ?   ?       ?      ? 
1 1 1   15   14   41 o   62.733   10.012   27.215   8.5116   27.215   8.5116   0.0000   0.0000   62.733   10.012  ?   ?       ?      ? 
1 1 1   15   14   42 o  153.581   6.3878  164.084   11.671  165.659   13.622  159.738   22.633  155.645   6.4586  151.517   11.023 4.127335 12.77569 
1 1 1   15   14   43 o   50.911   10.102   16.213   6.5887   12.732   7.6274   26.444   13.078   42.185   12.472   59.636   15.894 -17.45077 20.20339 
1 1 1   15   14   44 o   69.042   8.2256   30.610   6.2753   28.072   7.0372   40.461   13.866   63.826   8.1362   74.258   14.298 -10.43294 16.45110 
1 1 1   15   14   45 o   67.176   9.0078   31.437   6.3843   30.750   7.0917   34.373   14.664   66.799   7.8342   67.552   16.223 -0.7523727 18.01554 
1 1 1   15   14   46 o   43.213   9.9589   12.361   5.7422   12.066   6.3986   13.583   13.014   40.779   11.225   45.647   16.454 -4.867859 19.91778 
1 1 1   15   14   47 o   62.385   8.6455   23.326   5.9827   19.426   6.6702   39.375   13.531   51.947   9.8354   72.823   14.221 -20.87553 17.29100 
1 1 1   15   14   48 o   41.703   9.7987   10.874   5.5302   9.7935   6.2035   15.055   12.206   37.030   11.317   46.377   16.000 -9.347084 19.59747 
1 1 1   15   14   49 o   45.603   11.028   14.628   8.0594   14.437   10.288   14.932   12.967   44.751   14.685   46.454   16.457 -1.702450 22.05685 
1 1 1   15   14   50 o   72.133   10.418   36.819   10.184   0.0000   0.0000   36.819   10.184  ?   ?    72.133   10.418      ?      ? 
1 1 1   15   14   51 o   39.224   9.0081   11.302   5.9387   2.1528   10.486   15.623   7.2058   32.628   13.789   45.819   11.595 -13.19073 18.01617 
1 1 1   15   14   52 o   53.498   9.3993   21.785   6.4803   21.190   11.493   22.063   7.8466   52.322   15.264   54.675   10.972 -2.352341 18.79854 
1 1 1   15   14   53 o   36.923   9.3900   9.1932   5.8438   5.7685   10.780   10.618   6.9542   35.690   14.417   38.157   12.035 -2.466618 18.78010 
1 1 1   15   14   54 o   39.766   9.7632   11.239   6.2081   9.7196   11.171   11.917   7.4672   39.471   15.047   40.060   12.445 -0.5892601 19.52641 
1 1 1   15   14   55 o   71.223   8.1970   37.085   7.2196   38.718   12.651   36.297   8.7916   70.953   13.653   71.493   9.0745 -0.5407715 16.39395 
1 1 1   15   14   56 o   66.656   8.2624   31.360   6.9647   38.962   12.169   27.657   8.4934   71.351   13.067   61.960   10.116 9.391651 16.52472 
1 1 1   15   14   57 o   48.802   9.4993   19.720   6.6687   12.286   11.349   23.641   8.2415   41.607   15.309   55.996   11.251 -14.38848 18.99856 
1 1 1   15   14   58 o   72.171   9.1613   39.358   8.6964   48.165   12.957   32.137   11.732   80.530   11.873   63.812   13.955 16.71756 18.32252 
1 1 1   15   15    0 o  213.377   5.6363  310.379   15.374  311.375   18.860  308.409   26.543  214.048   6.5019  212.705   9.2085 1.343033 11.27257 
1 1 1   15   15    1 o   97.035   6.4625   63.182   8.0094   61.280   9.7404   67.153   14.074   94.906   7.5736   99.164   10.474 -4.258133 12.92500 
1 1 1   15   15    2 o  323.736   6.3850  725.256   26.465  749.527   32.787  679.874   44.833  331.959   7.2885  315.513   10.486 16.44568 12.77001 
1 1 1   15   15    3 o  330.072   5.3438  739.360   23.851  713.980   32.478  769.070   35.139  323.968   7.3977  336.176   7.7134 -12.20816 10.68750 
1 1 1   15   15    4 o   97.990   5.6673   63.924   7.4330   56.351   9.6352   75.054   11.682   90.992   7.8140  104.987   8.2107 -13.99561 11.33465 
1 1 1   15   15    5 o  152.548   4.8687  155.105   9.9611  135.955   13.014  182.195   15.478  141.410   6.7913  163.685   6.9781 -22.27551 9.737320 
1 1 1   15   15    6 o  246.393   6.1591  411.259   19.386  420.962   33.761  406.486   23.678  248.321   10.033  244.465   7.1475 3.856110 12.31827 
1 1 1   15   15    7 o  150.443   6.4631  156.896   12.296  146.984   21.335  161.826   15.047  146.646   10.736  154.240   7.1988 -7.593628 12.92624 
1 1 1   15   15    8 o  102.023   7.5132   73.747   9.6320   63.733   16.508   78.916   11.860   96.398   12.637  107.649   8.1302 -11.25122 15.02648 
1 1 1   15   15    9 o  108.357   6.9909   79.173   9.6779   83.107   16.947   77.269   11.789  110.201   11.348  106.514   8.1677 3.686874 13.98180 
1 1 1   15   15   10 o  158.291   6.5746  187.169   10.470  196.511   11.624  147.004   24.101  170.131   5.0417  146.450   12.144 23.68130 13.14922 
1 1 1   15   15   11 o  147.851   6.2946  146.442   9.4797  145.117   10.387  153.047   23.190  146.187   5.2434  149.515   11.445 -3.328079 12.58926 
1 1 1   15   15   12 o  135.116   7.0863  139.552   9.3884  147.611   10.388  103.598   21.939  147.439   5.1990  122.794   13.185 24.64426 14.17254 
1 1 1   15   15   13 o  187.296   6.0920  242.084   12.057  243.895   13.401  234.393   27.614  189.515   5.2182  185.078   11.010 4.436523 12.18405 
1 1 1   15   15   14 o  211.913   6.6669  330.710   16.798  364.568   20.139  253.299   30.451  231.564   6.4177  192.262   11.688 39.30255 13.33375 
1 1 1   15   15   15 o  110.621   7.4412   89.159   7.9625   91.752   8.7083   75.937   19.665  116.218   5.5294  105.024   13.817 11.19433 14.88247 
1 1 1   15   15   16 o   81.170   8.6180   42.767   6.5039   41.509   7.0059   50.616   17.497   78.123   6.6176   84.216   15.915 -6.092285 17.23592 
1 1 1   15   15   17 o  145.461   6.5147  151.039   9.5162  154.527   10.478  134.615   22.739  150.844   5.1258  140.079   11.979 10.76550 13.02942 
1 1 1   15   15   18 o  152.041   6.2339  161.339   9.7337  163.355   10.748  152.140   22.958  155.090   5.1138  148.992   11.371 6.098053 12.46772 
1 1 1   15   15   19 o  158.572   6.0780  170.284   9.9976  169.603   11.022  173.447   23.746  158.022   5.1471  159.122   11.013 -1.099274 12.15602 
1 1 1   15   15   20 o  125.608   7.5215  130.572   8.9330  143.223   9.9418   77.552   20.353  145.216   5.0521  105.999   14.169 39.21680 15.04291 
1 1 1   15   15   21 o  232.173   5.9362  368.699   14.879  369.365   16.626  366.021   33.340  233.173   5.2618  231.174   10.643 1.998718 11.87233 
1 1 1   15   15   22 f  175.917   6.2909  225.924   11.528  235.215   12.882  188.577   25.827  186.080   5.1087  165.753   11.498 20.32660 12.58181 
1 1 1   15   15   23 o  121.288   6.8979  102.985   8.4554  104.216   9.2977   97.096   20.331  123.827   5.5408  118.750   12.634 5.077522 13.79572 
1 1 1   15   15   24 o  141.713   6.7658  149.480   9.6680  156.451   10.731  119.427   22.280  151.737   5.2187  131.688   12.485 20.04922 13.53156 
1 1 1   15   15   25 o  207.877   6.0996  283.849   14.964  272.825   17.181  318.483   30.454  200.225   6.3321  215.529   10.427 -15.30388 12.19918 
1 1 1   15   15   26 o  166.377   6.2031  184.127   12.091  179.300   13.870  199.406   24.678  162.306   6.3062  170.448   10.684 -8.142426 12.40617 
1 1 1   15   15   27 o  189.528   6.1687  243.136   13.852  240.564   16.040  250.680   27.471  187.983   6.2966  191.073   10.610 -3.089935 12.33730 
1 1 1   15   15   28 o   87.000   8.9124   55.009   8.2564   56.543   9.3673   49.665   17.480   91.025   7.5940   82.976   16.126 8.048958 17.82478 
1 1 1   15   15   29 o  237.429   5.8924  380.743   15.468  377.348   17.384  393.648   33.893  235.533   5.4464  239.325   10.451 -3.792358 11.78472 
1 1 1   15   15   30 o  145.960   6.4466  151.979   9.9175  155.802   11.072  136.462   22.306  151.333   5.3990  140.586   11.708 10.74757 12.89316 
1 1 1   15   15   31 o  114.401   7.3864  100.243   8.5002  106.374   9.4761   74.995   19.231  125.010   5.5937  103.791   13.673 21.21909 14.77277 
1 1 1   15   15   32 o  107.826   6.9821   76.162   7.9013   74.048   8.6954   86.173   18.925  104.233   6.1561  111.420   12.534 -7.186951 13.96412 
1 1 1   15   15   33 o  181.311   5.8122  213.748   11.532  206.232   12.837  245.176   26.249  174.036   5.4432  188.585   10.271 -14.54846 11.62449 
1 1 1   15   15   34 o   82.075   9.9028   56.425   7.3311   60.243   8.0085   36.676   18.213   93.966   6.2892   70.184   18.781 23.78191 19.80565 
1 1 1   15   15   35 o   71.006   7.5421   34.525   7.2572   34.525   7.2572   0.0000   0.0000   71.006   7.5421  ?   ?       ?      ? 
1 1 1   15   15   36 o  135.099   5.6659  124.462   10.373  124.462   10.373   0.0000   0.0000  135.099   5.6659  ?   ?       ?      ? 
1 1 1   15   15   37 o   73.130   8.9911   28.376   7.6975   18.177   8.7052   64.936   16.482   49.990   12.796   96.270   12.634 -46.28067 17.98212 
1 1 1   15   15   38 o  161.318   6.3383  183.656   12.339  189.011   14.597  170.253   23.093  166.225   6.4803  156.411   10.895 9.814102 12.67657 
1 1 1   15   15   39 o   46.713   10.216   16.230   6.8975   18.390   7.9872   9.8948   13.679   50.269   11.908   43.157   16.603 7.111423 20.43171 
1 1 1   15   15   40 o  130.903   6.6123  120.015   10.396  121.557   12.213  115.961   19.808  133.143   6.7689  128.663   11.361 4.480591 13.22458 
1 1 1   15   15   41 o   96.747   7.0852   64.179   7.3988   63.504   8.2522   66.944   16.706   96.271   6.3255   97.223   12.680 -0.9526749 14.17049 
1 1 1   15   15   42 o   67.148   8.9784   34.171   6.4216   35.331   7.2235   29.800   14.023   71.613   7.4434   62.682   16.341 8.930920 17.95672 
1 1 1   15   15   43 o   33.488   9.1181   6.1459   5.5064   8.3430   6.1418  -2.8549   12.431   34.812   11.343   32.163   14.279 2.649101 18.23615 
1 1 1   15   15   44 o   87.738   7.4442   54.595   7.0902   54.910   7.9611   53.390   15.590   89.351   6.5750   86.126   13.358 3.224403 14.88833 
1 1 1   15   15   45 o   92.299   6.8190   55.651   7.0181   52.746   7.8469   67.266   15.689   87.515   6.6166   97.082   11.925 -9.567528 13.63802 
1 1 1   15   15   46 o   41.027   9.5068   12.126   5.4691   13.043   6.0719   8.1824   12.590   42.130   10.634   39.924   15.762 2.206318 19.01362 
1 1 1   15   15   47 o   39.796   10.112   10.512   6.4607   11.265   7.4609   8.2516   12.918   39.474   12.467   40.119   15.925 -0.6458664 20.22464 
1 1 1   15   15   48 o   45.953   10.919   13.114   8.8680   2.3035   12.073   25.781   13.069   34.573   14.711   57.333   16.138 -22.75970 21.83705 
1 1 1   15   15   49 o   31.237   9.8124  -2.2984   8.3582  -5.0056   11.721   0.5027   11.922   29.437   13.395   33.036   14.343 -3.598625 19.62489 
1 1 1   15   15   50 o   70.622   8.9773   29.455   7.7094   18.006   8.9334   62.860   15.260   48.491   13.228   92.754   12.140 -44.26236 17.95458 
1 1 1   15   15   51 f   69.906   9.1026   34.902   7.7591   32.168   9.2010   41.633   14.437   66.983   10.136   72.829   15.122 -5.845917 18.20528 
1 1 1   15   15   52 o   83.427   7.9112   43.652   8.2061   33.871   9.5559   71.123   16.015   68.566   10.284   98.288   12.024 -29.72262 15.82232 
1 1 1   15   15   53 o   45.567   9.5093   17.523   7.0429   23.467   8.3405   2.7509   13.148   55.767   11.421   35.367   15.208 20.40051 19.01866 
1 1 1   15   15   54 o   34.535   14.267   4.9574   10.849   4.9574   10.849   0.0000   0.0000   34.535   14.267  ?   ?       ?      ? 
1 1 1   15   16    0 o   50.098   7.9451   14.418   6.2059   1.2021   7.9902   34.512   9.8525   29.140   12.158   71.056   10.232 -41.91631 15.89026 
1 1 1   15   16    1 o  120.015   7.1539   89.380   9.9229   82.058   11.188  116.382   21.484  109.785   7.5200  130.244   12.172 -20.45867 14.30787 
1 1 1   15   16    2 o   93.233   9.7506   69.408   9.0287   75.359   10.191   47.683   19.470  105.232   7.1461   81.234   18.145 23.99839 19.50121 
1 1 1   15   16    3 o   99.230   7.9424   62.889   8.8373   59.629   9.8920   75.776   19.669   93.567   7.8015  104.894   13.837 -11.32675 15.88472 
1 1 1   15   16    4 o   66.463   7.3663   29.466   6.4656   27.123   8.1405   33.471   10.641   63.022   9.5319   69.903   11.234 -6.881485 14.73259 
1 1 1   15   16    5 o   91.306   6.1960   58.654   7.4157   67.141   9.8267   47.427   11.302   99.313   7.3016   83.299   10.012 16.01382 12.39194 
1 1 1   15   16    6 o  165.047   4.9331  186.143   10.956  192.927   14.813  177.949   16.280  168.428   6.4902  161.665   7.4310 6.763092 9.866205 
1 1 1   15   16    7 o  141.108   5.1171  134.532   9.7030  128.217   12.795  143.078   14.885  137.272   6.8782  144.944   7.5783 -7.672073 10.23423 
1 1 1   15   16    8 o  186.807   4.8749  235.098   12.257  218.267   16.224  257.478   18.708  179.120   6.6839  194.495   7.0981 -15.37482 9.749729 
1 1 1   15   16    9 o  167.266   4.9643  186.430   11.129  162.908   14.505  220.095   17.353  154.719   6.9183  179.814   7.1214 -25.09404 9.928552 
1 1 1   15   16   10 o  124.017   7.1199  109.349   8.6736  111.355   9.4894   99.162   21.382  128.019   5.4699  120.014   13.147 8.004990 14.23979 
1 1 1   15   16   11 o  135.379   6.6413  123.084   9.0480  122.044   9.8865  128.443   22.450  134.021   5.4436  136.736   12.116 -2.714813 13.28268 
1 1 1   15   16   12 f   76.563   10.012   51.825   7.0018   56.521   7.6364   27.046   17.543   91.165   6.1813   61.960   19.046 29.20465 20.02423 
1 1 1   15   16   13 o  210.995   6.0072  296.962   13.462  292.895   14.910  314.915   31.323  207.626   5.2991  214.364   10.783 -6.738327 12.01446 
1 1 1   15   16   14 o  173.534   6.0175  192.695   10.933  185.822   11.999  226.316   26.539  165.366   5.3545  181.702   10.778 -16.33546 12.03497 
1 1 1   15   16   15 o  125.860   7.0122  107.611   10.349  106.812   11.930  110.040   20.800  125.237   7.0297  126.483   12.135 -1.245689 14.02439 
1 1 1   15   16   16 f  133.348   6.6993  114.508   10.658  107.317   12.251  136.891   21.615  125.508   7.2034  141.189   11.297 -15.68121 13.39856 
1 1 1   15   16   17 o   99.178   8.5230   67.688   10.936   67.662   13.586   67.738   18.429   99.381   10.088   98.975   13.740 0.4064178 17.04601 
1 1 1   15   16   18 o  214.184   7.1015  317.843   20.207  334.681   26.536  294.602   31.176  221.279   8.8492  207.089   11.109 14.19003 14.20295 
1 1 1   15   16   19 o  169.205   7.3059  200.327   16.236  215.334   21.042  178.252   25.521  177.486   8.7489  160.924   11.703 16.56094 14.61178 
1 1 1   15   16   20 o  174.566   11.026  209.490   26.083   0.0000   0.0000  209.490   26.083  ?   ?   174.566   11.026      ?      ? 
1 1 1   15   16   21 o   89.798   8.8925   58.749   8.7474   60.835   10.054   52.250   17.744   94.392   7.8600   85.205   15.954 9.186531 17.78499 
1 1 1   15   16   22 o  149.794   6.4489  148.689   11.632  143.112   13.510  164.670   22.870  144.887   6.8810  154.702   10.909 -9.815628 12.89789 
1 1 1   15   16   23 o  181.374   6.5018  233.205   14.078  242.784   16.600  208.665   26.569  188.753   6.4898  173.994   11.268 14.75949 13.00365 
1 1 1   15   16   24 o   93.791   9.1781   68.248   9.1305   74.090   10.535   50.618   18.302  104.157   7.4640   83.426   16.770 20.73106 18.35630 
1 1 1   15   16   25 o  176.977   6.4671  219.551   13.658  225.124   16.030  204.788   26.088  181.704   6.5100  172.250   11.177 9.453568 12.93424 
1 1 1   15   16   26 o  108.310   7.8577   85.551   9.7232   90.079   11.268   72.350   19.240  114.830   7.2412  101.790   13.948 13.03946 15.71548 
1 1 1   15   16   27 o  150.349   6.7132  159.726   12.001  164.803   14.086  146.281   22.924  155.384   6.6896  145.314   11.641 10.06990 13.42642 
1 1 1   15   16   28 o  165.466   6.6669  186.947   14.949  186.947   14.949   0.0000   0.0000  165.466   6.6669  ?   ?       ?      ? 
1 1 1   15   16   29 o   87.799   8.4508   52.917   10.055   52.917   10.055   0.0000   0.0000   87.799   8.4508  ?   ?       ?      ? 
1 1 1   15   16   30 o  130.242   7.0998  116.062   12.531  116.062   12.531   0.0000   0.0000  130.242   7.0998  ?   ?       ?      ? 
1 1 1   15   16   31 o   73.848   9.4566   38.166   8.0727   37.315   9.3351   40.687   16.076   73.550   9.3660   74.145   16.431 -0.5956192 18.91310 
1 1 1   15   16   32 o   43.273   9.2941   13.934   7.0406   21.292   8.2211  -6.3090   13.636   54.306   11.528   32.241   14.582 22.06568 18.58816 
1 1 1   15   16   33 o   76.491   9.4669   45.442   8.0521   49.003   9.3566   35.275   15.809   84.391   8.1816   68.591   17.075 15.79982 18.93389 
1 1 1   15   16   34 o  122.124   6.6648   99.368   9.8671   94.810   11.493  112.149   19.245  117.539   7.2153  126.709   11.208 -9.169189 13.32955 
1 1 1   15   16   35 o  121.684   7.0741  113.007   8.9224  119.850   10.029   87.043   19.536  132.456   5.5876  110.912   12.998 21.54396 14.14811 
1 1 1   15   16   36 o  124.738   6.6359  112.839   8.8321  116.195   9.9186   99.985   19.409  130.381   5.6137  119.095   12.026 11.28651 13.27186 
1 1 1   15   16   37 o   50.175   10.105   14.358   5.9613   11.388   6.5862   27.820   14.021   39.755   11.543   60.595   16.590 -20.84013 20.21070 
1 1 1   15   16   38 f   79.600   8.0354   44.410   6.7564   43.829   7.5687   46.686   14.991   79.809   6.9982   79.392   14.467 0.4162292 16.07077 
1 1 1   15   16   39 o   91.179   8.3559   66.215   7.4906   70.690   8.4173   49.183   16.421  101.499   6.1197   80.859   15.551 20.63998 16.71177 
1 1 1   15   16   40 o   93.856   7.5222   65.416   7.3663   67.590   8.2346   56.706   16.481   99.205   6.1253   88.506   13.741 10.69925 15.04438 
1 1 1   15   16   41 f   74.970   8.5287   41.083   6.6230   41.295   7.4041   40.235   14.814   77.324   7.0660   72.615   15.525 4.709587 17.05746 
1 1 1   15   16   42 o   78.990   8.6533   45.615   7.8612   45.840   9.1780   44.995   15.232   81.093   8.3518   76.887   15.158 4.206238 17.30664 
1 1 1   15   16   43 o   55.338   10.098   22.806   6.9547   22.351   8.0620   24.130   13.750   55.065   11.186   55.611   16.816 -0.5457573 20.19668 
1 1 1   15   16   44 o   51.188   10.302   19.666   6.9056   19.462   8.0217   20.249   13.571   51.015   11.833   51.361   16.867 -0.3462524 20.60382 
1 1 1   15   16   45 o   50.003   11.227   18.555   8.6589   13.295   11.545   25.317   13.091   43.452   15.515   56.554   16.232 -13.10194 22.45411 
1 1 1   15   16   46 o   39.254   10.433   8.2821   8.3093   16.453   11.053  -2.3350   12.600   46.530   15.219   31.978   14.275 14.55149 20.86643 
1 1 1   15   16   47 o   51.523   11.314   21.265   8.9647   25.708   11.905   15.449   13.624   56.960   15.158   46.085   16.800 10.87462 22.62733 
1 1 1   15   16   48 o   49.806   10.033   20.212   6.8967   22.162   8.0834   14.997   13.222   54.291   11.352   45.320   16.546 8.971092 20.06619 
1 1 1   15   16   49 o   87.514   8.1751   54.064   9.6951   54.064   9.6951   0.0000   0.0000   87.514   8.1751  ?   ?       ?      ? 
1 1 1   15   16   50 o   40.994   14.503   12.272   10.066   12.272   10.066   0.0000   0.0000   40.994   14.503  ?   ?       ?      ? 
1 1 1   15   17    0 o  132.529   5.3172  119.032   9.4781  114.473   12.557  125.070   14.450  129.633   7.1479  135.424   7.8739 -5.790726 10.63439 
1 1 1   15   17    1 o  155.576   5.1042  165.732   10.688  173.623   14.520  156.398   15.791  159.697   6.7093  151.456   7.6938 8.241669 10.20835 
1 1 1   15   17    2 o  146.092   5.1583  145.448   10.137  145.548   13.541  145.321   15.288  146.200   6.8349  145.985   7.7278 0.2149353 10.31668 
1 1 1   15   17    3 o  149.033   5.1384  153.103   10.244  166.205   13.831  137.180   15.247  156.260   6.5316  141.807   7.9341 14.45271 10.27673 
1 1 1   15   17    4 o   98.072   6.0115   65.133   7.9039   62.134   10.346   69.336   12.249   95.428   8.0004  100.716   8.9748 -5.288155 12.02307 
1 1 1   15   17    5 o  165.227   5.0984  185.519   11.372  180.411   15.332  191.763   16.953  162.740   6.9524  167.714   7.4592 -4.974274 10.19683 
1 1 1   15   17    6 o  173.158   5.6357  196.941   12.971  250.490   20.898  163.383   16.544  191.574   8.0499  154.741   7.8894 36.83231 11.27131 
1 1 1   15   17    7 o  138.963   5.9742  132.430   11.195  125.550   16.400  138.433   15.319  135.504   8.9311  142.422   7.9372 -6.918579 11.94833 
1 1 1   15   17    8 f  160.350   7.7224  186.805   15.557  210.683   19.537  145.427   25.718  175.643   8.2080  145.056   13.083 30.58722 15.44489 
1 1 1   15   17    9 o  226.786   7.1840  353.659   21.520  356.798   27.592  348.786   34.384  228.391   8.9148  225.180   11.268 3.211578 14.36796 
1 1 1   15   17   10 o  158.733   7.2879  186.750   13.283  201.866   15.555  146.046   25.525  172.138   6.6683  145.328   12.961 26.81027 14.57590 
1 1 1   15   17   11 o  152.394   6.9401  158.324   12.282  157.445   14.100  161.088   25.002  151.990   6.8459  152.798   12.074 -0.8080750 13.88017 
1 1 1   15   17   12 o  193.653   6.7576  265.973   15.380  275.852   17.965  238.866   29.758  201.210   6.5888  186.096   11.800 15.11453 13.51511 
1 1 1   15   17   13 o  155.874   6.9647  172.372   12.595  178.139   14.606  155.649   24.874  161.668   6.6668  150.081   12.230 11.58728 13.92934 
1 1 1   15   17   14 o  141.956   6.4754  130.825   9.4988  127.060   10.404  149.690   23.287  136.644   5.6184  147.268   11.669 -10.62367 12.95083 
1 1 1   15   17   15 o   47.044   10.737   13.079   5.9182   12.356   6.3599   17.743   16.163   41.616   11.080   52.472   18.394 -10.85632 21.47354 
1 1 1   15   17   16 o  127.520   7.1540  116.176   9.0236  118.344   9.8920  105.429   22.023  131.863   5.5358  123.178   13.194 8.685318 14.30809 
1 1 1   15   17   17 o  143.037   6.8801  150.336   9.8912  155.733   10.938  126.122   23.169  151.278   5.3356  134.795   12.684 16.48289 13.76015 
1 1 1   15   17   18 o   57.059   10.456   22.747   6.2909   22.925   6.7536   21.581   17.295   57.829   8.6180   56.289   19.054 1.539211 20.91190 
1 1 1   15   17   19 f   80.151   8.0963   36.377   6.6719   32.720   7.2102   58.165   17.599   69.156   7.6937   91.146   14.248 -21.98965 16.19260 
1 1 1   15   17   20 o  112.143   7.4850   86.146   8.1406   85.845   8.8349   87.836   20.950  112.236   5.8088  112.049   13.797 0.1874008 14.97003 
1 1 1   15   17   21 o   57.169   8.4629   22.428   6.5564   22.428   6.5564   0.0000   0.0000   57.169   8.4629  ?   ?       ?      ? 
1 1 1   15   17   22 o   61.374   8.0860   25.833   6.7251   25.833   6.7251   0.0000   0.0000   61.374   8.0860  ?   ?       ?      ? 
1 1 1   15   17   23 o   92.763   9.0121   64.076   7.4402   65.368   8.0541   56.561   19.430   97.870   6.0727   87.655   16.970 10.21503 18.02421 
1 1 1   15   17   24 o  109.348   7.2830   85.853   8.0092   87.507   8.8200   78.075   19.124  113.263   5.7464  105.434   13.385 7.829231 14.56607 
1 1 1   15   17   25 o   37.236   8.2304   10.212   5.7103   16.092   6.2270 -20.8754   14.317   47.373   10.013   27.099   13.065 20.27417 16.46078 
1 1 1   15   17   26 o   77.230   9.2230   44.704   6.7268   45.688   7.3492   39.626   16.702   81.711   6.6371   72.748   17.211 8.962959 18.44598 
1 1 1   15   17   27 o   52.411   9.6094   22.322   6.0034   24.476   6.5416   10.829   15.113   59.642   8.0938   45.180   17.431 14.46215 19.21887 
1 1 1   15   17   28 o   88.875   7.6317   53.004   7.0005   51.902   7.6855   58.374   16.964   87.062   6.5142   90.689   13.803 -3.626846 15.26331 
1 1 1   15   17   29 o   58.448   9.6371   26.994   6.1783   28.569   6.7983   19.523   14.808   64.422   7.7873   52.475   17.631 11.94627 19.27418 
1 1 1   15   17   30 o   31.253   8.6881   4.3741   5.4685   8.0671   6.0050 -13.5679   13.236   34.396   11.216   28.110   13.271 6.285263 17.37619 
1 1 1   15   17   31 o   69.118   8.9888   33.045   6.3635   32.223   7.0115   36.885   15.156   68.388   7.5657   69.848   16.308 -1.459526 17.97760 
1 1 1   15   17   32 o   48.108   9.2647   18.462   5.8218   20.707   6.4521   8.6263   13.505   54.640   8.7137   41.576   16.353 13.06443 18.52931 
1 1 1   15   17   33 o   87.273   7.3843   52.455   6.9566   51.799   7.7587   55.146   15.710   86.816   6.5949   87.730   13.214 -0.9140625 14.76853 
1 1 1   15   17   34 o  104.177   6.5491   67.235   7.6007   61.527   8.4432   91.628   17.455   94.580   6.5876  113.775   11.321 -19.19523 13.09819 
1 1 1   15   17   35 o   39.843   10.057   7.9265   5.5725   6.0215   6.1482   16.693   13.189   31.342   11.307   48.344   16.634 -17.00210 20.11364 
1 1 1   15   17   36 o   46.624   9.6126   17.622   6.6259   21.413   7.6709   6.4804   13.150   54.128   10.836   39.119   15.881 15.00883 19.22525 
1 1 1   15   17   37 o   87.268   7.4279   48.298   7.9542   41.535   9.2072   68.196   15.794   77.062   8.8167   97.474   11.957 -20.41241 14.85578 
1 1 1   15   17   38 o   78.283   8.4595   43.098   7.6849   41.380   8.9118   48.080   15.177   76.921   8.5494   79.644   14.600 -2.723152 16.91904 
1 1 1   15   17   39 o   41.371   10.017   7.5423   6.5051   2.1276   7.5643   22.919   12.747   28.537   11.861   54.204   16.146 -25.66651 20.03466 
1 1 1   15   17   40 o   58.242   10.799   27.742   8.9976   35.081   11.712   17.173   14.055   68.186   13.152   48.299   17.132 19.88699 21.59783 
1 1 1   15   17   41 o   69.858   10.401   38.672   9.5849   44.966   12.645   30.173   14.694   78.615   11.870   61.102   17.082 17.51241 20.80107 
1 1 1   15   17   42 o   62.770   10.903   31.010   9.1262   29.731   12.004   32.761   14.050   61.646   14.595   63.893   16.203 -2.247639 21.80694 
1 1 1   15   17   43 o   63.837   10.457   29.576   9.4149   16.255   12.144   49.649   14.906   46.289   15.959   81.386   13.516 -35.09649 20.91368 
1 1 1   15   17   44 o   41.620   12.208   13.133   7.3336   13.133   7.3336   0.0000   0.0000   41.620   12.208  ?   ?       ?      ? 
1 1 1   15   17   45 o   50.277   11.841   19.299   7.9342   19.299   7.9342   0.0000   0.0000   50.277   11.841  ?   ?       ?      ? 
1 1 1   15   18    0 o   89.492   6.4665   54.806   7.7043   54.245   9.9812   55.633   12.118   89.026   8.2734   89.958   9.9406 -0.9319534 12.93307 
1 1 1   15   18    1 o   93.818   6.1407   59.980   7.6824   58.511   9.9574   62.141   12.076   92.491   7.9444   95.144   9.3658 -2.652130 12.28139 
1 1 1   15   18    2 o   87.452   6.5514   53.708   7.4943   58.041   9.6737   47.206   11.852   92.134   7.7480   82.770   10.567 9.364311 13.10287 
1 1 1   15   18    3 f  119.881   5.5955  100.062   8.8681  108.025   11.638   89.040   13.693  125.815   6.8262  113.947   8.8680 11.86832 11.19102 
1 1 1   15   18    4 o  113.928   5.6808   87.741   8.6561   82.488   11.232   95.426   13.584  109.848   7.5452  118.009   8.4945 -8.161697 11.36166 
1 1 1   15   18    5 o  175.462   5.0505  210.197   11.939  209.355   16.032  211.246   17.890  175.142   6.7547  175.781   7.5104 -0.6393585 10.10110 
1 1 1   15   18    6 o  161.443   5.1462  175.218   11.165  154.409   14.706  203.530   17.154  150.324   7.2194  172.562   7.3358 -22.23871 10.29238 
1 1 1   15   18    7 o  108.903   5.9245   81.295   8.6602   81.288   11.487   81.304   13.183  108.985   7.7775  108.822   8.9393 0.1628876 11.84906 
1 1 1   15   18    8 o  115.207   5.9074   93.468   8.9664  107.876   12.036   75.503   13.440  125.647   7.0691  104.768   9.4666 20.87911 11.81476 
1 1 1   15   18    9 o  166.544   6.6626  181.954   13.123  173.252   15.061  209.392   26.743  159.232   6.9799  173.857   11.351 -14.62482 13.32517 
1 1 1   15   18   10 o  156.065   7.0773  182.774   11.023  191.078   12.206  146.072   25.662  167.499   5.3775  144.632   13.093 22.86688 14.15463 
1 1 1   15   18   11 o  116.309   5.9346   92.251   9.3538   92.251   9.3538   0.0000   0.0000  116.309   5.9346  ?   ?       ?      ? 
1 1 1   15   18   12 o   84.960   6.8081   49.336   7.8384   49.336   7.8384   0.0000   0.0000   84.960   6.8081  ?   ?       ?      ? 
1 1 1   15   18   13 o  119.158   5.9349   96.864   9.5834   96.864   9.5834   0.0000   0.0000  119.158   5.9349  ?   ?       ?      ? 
1 1 1   15   18   14 o  134.332   5.7326  123.074   10.435  123.074   10.435   0.0000   0.0000  134.332   5.7326  ?   ?       ?      ? 
1 1 1   15   18   15 o  122.308   7.6335  112.962   9.1885  117.886   10.140   90.366   21.722  131.462   5.6921  113.154   14.166 18.30835 15.26693 
1 1 1   15   18   16 o   71.600   10.201   47.712   7.3202   53.323   8.0371   20.407   17.731   88.285   6.7179   54.916   19.264 33.36905 20.40217 
1 1 1   15   18   17 o   73.153   9.4841   37.016   6.9214   36.318   7.5774   40.534   17.006   72.735   7.6876   73.571   17.341 -0.8352127 18.96828 
1 1 1   15   18   18 o   40.546   9.4120   12.299   6.0795   15.812   6.6141  -6.8367   15.437   46.803   10.666   34.288   15.511 12.51520 18.82401 
1 1 1   15   18   19 o   39.234   10.332   8.2236   5.7351   8.0088   6.2110   9.4661   14.941   34.538   11.414   43.930   17.225 -9.392147 20.66319 
1 1 1   15   18   20 o   75.384   9.3396   39.917   6.7650   39.483   7.3617   42.276   17.152   75.851   7.1621   74.917   17.252 0.9337006 18.67916 
1 1 1   15   18   21 o  100.701   8.3364   75.785   9.2700   79.799   10.613   62.870   19.037  107.784   7.2662   93.618   15.006 14.16608 16.67276 
1 1 1   15   18   22 o   74.813   9.9942   44.084   8.0829   46.879   9.1867   34.507   17.007   82.424   8.2248   67.203   18.218 15.22100 19.98836 
1 1 1   15   18   23 o   62.921   10.102   31.137   7.4745   33.371   8.5125   23.616   15.619   69.375   9.0546   56.466   18.061 12.90834 20.20319 
1 1 1   15   18   24 o   61.268   10.032   24.275   7.1840   20.760   8.1694   36.265   15.089   53.332   11.631   69.204   16.349 -15.87222 20.06457 
1 1 1   15   18   25 o   35.410   9.1929   7.2374   6.3244   12.136   7.1477 -10.4293   13.574   40.981   12.062   29.839   13.877 11.14163 18.38585 
1 1 1   15   18   26 o   64.625   9.7871   33.042   7.4620   35.745   8.6467   25.154   14.770   71.711   8.8978   57.539   17.435 14.17208 19.57417 
1 1 1   15   18   27 o   83.151   8.6147   50.641   8.0266   51.493   9.2822   48.113   15.982   86.249   7.9417   80.052   15.290 6.196465 17.22941 
1 1 1   15   18   28 o   58.797   9.6186   29.352   7.1991   34.382   8.3761   15.129   14.084   70.263   8.7969   47.331   17.108 22.93211 19.23720 
1 1 1   15   18   29 o   58.248   9.9953   23.317   6.9782   20.895   8.0208   30.859   14.154   53.306   11.445   63.190   16.390 -9.883301 19.99053 
1 1 1   15   18   30 f   43.217   9.9700   12.752   7.9696   21.900   9.9075  -4.0188   13.415   53.908   13.571   32.525   14.609 21.38267 19.94007 
1 1 1   15   18   31 o   52.084   11.368   20.576   8.6098   20.651   10.706   20.439   14.486   52.085   14.587   52.084   17.439 0.1632690E-02 22.73549 
1 1 1   15   18   32 o   60.878   11.274   27.969   9.2244   24.340   11.718   33.880   14.957   56.180   15.077   65.576   16.766 -9.395874 22.54841 
1 1 1   15   18   33 f   73.253   10.312   40.079   9.5518   37.653   11.902   44.467   16.010   71.022   12.839   75.485   16.140 -4.463737 20.62379 
1 1 1   15   18   34 o   58.134   10.853   27.674   8.8319   32.689   11.136   19.169   14.501   65.909   12.930   50.360   17.435 15.54916 21.70647 
1 1 1   15   18   35 o   75.783   9.5242   45.095   7.9783   47.059   9.1879   39.075   16.087   81.913   8.2771   69.652   17.156 12.26130 19.04831 
1 1 1   15   18   36 o   86.184   8.8208   54.086   8.4262   53.241   9.6294   56.846   17.408   87.097   8.1585   85.271   15.642 1.826515 17.64151 
1 1 1   15   18   37 o   86.970   8.5037   56.020   8.2689   56.190   9.5319   55.503   16.622   89.521   7.8573   84.420   15.084 5.101341 17.00742 
1 1 1   15   18   38 o   52.509   11.398   20.761   7.8778   20.761   7.8778   0.0000   0.0000   52.509   11.398  ?   ?       ?      ? 
1 1 1   15   18   39 o   57.515   10.658   24.586   8.0009   24.586   8.0009   0.0000   0.0000   57.515   10.658  ?   ?       ?      ? 
1 1 1   15   18   40 o   51.230   11.597   19.953   7.8640   19.953   7.8640   0.0000   0.0000   51.230   11.597  ?   ?       ?      ? 
1 1 1   15   19    0 o  105.744   6.9729   76.604   9.2009   75.378   11.007   79.449   16.764  104.779   7.7519  106.710   11.593 -1.930420 13.94583 
1 1 1   15   19    1 o   45.809   10.220   15.132   6.8650   16.774   8.1075   10.970   12.904   48.043   12.377   43.574   16.268 4.469109 20.44053 
1 1 1   15   19    2 f   75.988   9.7934   41.051   9.4789   43.075   15.831   39.919   11.835   76.355   15.820   75.620   11.549 0.7343140 19.58687 
1 1 1   15   19    3 o   86.241   9.5275   56.078   9.9778   44.671   16.719   62.389   12.435   77.541   16.422   94.941   9.6653 -17.40022 19.05499 
1 1 1   15   19    4 o  137.891   6.8407  130.346   12.131  135.845   20.897  127.551   14.898  139.613   11.045  136.168   8.0739 3.445496 13.68145 
1 1 1   15   19    5 o  110.641   5.8018   82.320   8.5925   71.611   11.150   97.980   13.483  102.017   8.0653  119.266   8.3423 -17.24996 11.60355 
1 1 1   15   19    6 o   79.448   6.9720   42.751   7.3863   38.344   9.4724   49.587   11.798   74.433   9.3910   84.463   10.308 -10.03051 13.94408 
1 1 1   15   19    7 o   88.271   6.5379   53.664   7.6966   52.527   9.9880   55.326   12.076   87.277   8.4448   89.265   9.9832 -1.987602 13.07589 
1 1 1   15   19    8 o  120.494   5.5359  101.241   8.8881  109.388   11.865   90.822   13.418  126.292   6.9326  114.696   8.6327 11.59554 11.07174 
1 1 1   15   19    9 o   74.889   9.6143   38.047   8.0142   36.047   9.0545   45.282   17.220   72.138   9.2623   77.640   16.851 -5.501404 19.22862 
1 1 1   15   19   10 o   57.855   9.9310   28.020   6.3201   30.271   6.8520   15.189   16.361   66.328   7.6233   49.383   18.341 16.94446 19.86202 
1 1 1   15   19   11 o   54.984   10.130   23.007   6.2577   23.998   6.7794   17.305   16.266   58.934   8.4887   51.034   18.395 7.899899 20.25920 
1 1 1   15   19   12 o   73.635   9.7773   41.833   6.8485   43.000   7.4640   35.622   17.222   79.125   6.9611   68.146   18.274 10.97899 19.55466 
1 1 1   15   19   13 o   74.631   9.4365   41.477   6.9236   42.091   7.6102   38.528   16.681   78.234   7.1782   71.027   17.455 7.206497 18.87297 
1 1 1   15   19   14 o   98.157   7.3714   59.327   7.4681   55.385   8.1240   80.821   18.971   89.814   6.6749  106.499   13.145 -16.68433 14.74279 
1 1 1   15   19   15 o   81.538   7.8008   39.493   6.7452   35.677   7.3596   59.525   16.863   71.933   7.5500   91.142   13.653 -19.20925 15.60150 
1 1 1   15   19   16 o   42.035   10.309   9.8672   5.6854   8.5959   6.2123   16.422   14.106   35.254   11.402   48.816   17.179 -13.56223 20.61887 
1 1 1   15   19   17 o   46.955   10.223   15.058   5.8538   14.841   6.3857   16.199   14.649   45.106   10.622   48.803   17.471 -3.696461 20.44688 
1 1 1   15   19   18 o   43.977   8.2535   16.907   5.9491   22.828   6.5821  -9.5078   13.903   57.345   8.4701   30.609   14.168 26.73547 16.50706 
1 1 1   15   19   19 o   49.634   9.0017   21.436   6.1155   25.615   6.8377   4.7298   13.671   60.747   8.3063   38.521   15.973 22.22510 18.00349 
1 1 1   15   19   20 o   37.612   8.9679   10.341   5.7132   13.955   6.3149  -5.9610   13.410   43.632   10.750   31.593   14.357 12.03841 17.93579 
1 1 1   15   19   21 o   37.205   10.007   7.5799   5.7301   7.5389   6.2960   7.7778   13.830   33.608   11.496   40.802   16.383 -7.194366 20.01380 
1 1 1   15   19   22 o   56.759   10.078   24.902   7.1786   26.255   8.2390   20.641   14.628   61.057   9.9577   52.462   17.524 8.594845 20.15562 
1 1 1   15   19   23 o   50.408   10.389   18.900   6.7435   19.090   7.6244   18.220   14.453   50.831   11.355   49.985   17.401 0.8451309 20.77790 
1 1 1   15   19   24 o   67.142   9.0754   30.256   6.9301   27.621   7.8540   39.521   14.727   62.705   9.2429   71.579   15.621 -8.874039 18.15084 
1 1 1   15   19   25 o   55.634   10.262   21.264   6.6839   19.374   7.4937   28.615   14.782   51.184   11.122   60.084   17.249 -8.900127 20.52390 
1 1 1   15   19   26 o   93.457   7.6574   62.189   8.2265   61.998   9.4313   62.796   16.821   94.464   7.3676   92.450   13.426 2.014046 15.31486 
1 1 1   15   19   27 o   42.664   10.129   7.5556   6.3089   2.5661   7.1195   25.802   13.615   28.266   11.604   57.061   16.605 -28.79496 20.25735 
1 1 1   15   19   28 f   40.509   10.419   9.7215   6.3776   8.2890   7.2055   14.902   13.703   35.051   12.282   45.967   16.835 -10.91640 20.83884 
1 1 1   15   19   29 o   59.725   10.287   24.413   7.1380   21.478   8.0562   35.133   15.396   53.588   11.442   65.862   17.099 -12.27396 20.57430 
1 1 1   15   19   30 o   79.657   9.5979   53.960   8.1715   59.851   9.4608   36.657   16.215   92.540   7.5442   66.775   17.651 25.76517 19.19578 
1 1 1   15   19   31 o   57.956   9.9473   28.160   7.2085   30.851   8.2462   19.439   14.843   65.881   9.2366   50.030   17.621 15.85042 19.89470 
1 1 1   15   19   32 o   75.514   8.4680   40.291   8.6654   40.291   8.6654   0.0000   0.0000   75.514   8.4680  ?   ?       ?      ? 
1 1 1   15   19   33 o   32.312   12.117   6.3618   7.1748   6.3618   7.1748   0.0000   0.0000   32.312   12.117  ?   ?       ?      ? 
1 1 1   15   19   34 o   54.047   11.186   22.010   7.9230   22.010   7.9230   0.0000   0.0000   54.047   11.186  ?   ?       ?      ? 
1 1 1   15   19   35 o   55.297   11.255   23.094   8.1468   23.094   8.1468   0.0000   0.0000   55.297   11.255  ?   ?       ?      ? 
1 1 1   15   20    0 o   80.946   10.024   49.272   8.5604   50.152   9.6300   45.955   18.690   85.044   8.3560   76.847   18.223 8.196609 20.04768 
1 1 1   15   20    1 o   53.185   8.8735   22.172   6.6610   29.497   8.6034   11.210   10.525   64.936   9.7770   41.435   14.811 23.50108 17.74710 
1 1 1   15   20    2 o   37.366   9.0463   4.9287   6.1334  -2.9030   7.6890   18.630   10.170   24.744   11.091   49.988   14.294 -25.24328 18.09253 
1 1 1   15   20    3 o   56.354   9.8927   23.844   7.5437   21.267   10.672   26.418   10.664   53.202   14.435   59.507   13.531 -6.305466 19.78545 
1 1 1   15   20    4 o   67.400   9.0209   29.680   7.3272   24.341   8.5780   44.087   14.092   57.738   11.368   77.062   14.010 -19.32387 18.04184 
1 1 1   15   20    5 o   70.863   8.1819   38.810   7.0914   46.489   9.1055   26.973   11.305   81.847   8.2096   59.880   14.155 21.96732 16.36375 
1 1 1   15   20    6 o   69.441   7.8754   34.841   7.0094   35.704   8.9867   33.501   11.200   71.473   9.2784   67.408   12.728 4.065720 15.75080 
1 1 1   15   20    7 o   40.504   9.7181   10.971   6.1686   9.7218   7.7072   13.199   10.289   37.660   12.720   43.347   14.696 -5.686752 19.43622 
1 1 1   15   20    8 f   51.851   9.3433   19.557   6.4404   17.467   8.1585   23.014   10.492   48.474   12.377   55.227   14.000 -6.753799 18.68655 
1 1 1   15   20    9 o   78.780   8.6637   39.469   6.9208   36.535   7.5579   54.705   17.222   72.602   7.6819   84.958   15.532 -12.35514 17.32747 
1 1 1   15   20   10 o  106.286   7.6411   73.705   9.6920   67.246   11.109   94.296   19.834   98.271   8.3416  114.301   12.805 -16.02953 15.28216 
1 1 1   15   20   11 o   67.214   10.163   30.956   8.0019   27.515   9.1910   41.731   16.266   61.240   11.497   73.188   16.761 -11.94798 20.32547 
1 1 1   15   20   12 o   66.638   11.436   33.181   9.9865   28.522   12.578   41.126   16.426   60.862   15.275   72.413   17.025 -11.55075 22.87297 
1 1 1   15   20   13 f  113.587   8.5851   95.941   12.649  107.794   16.464   78.867   19.760  123.597   9.8299  103.577   14.078 20.02018 17.17023 
1 1 1   15   20   14 o   65.035   10.041   38.341   7.5265   43.541   8.4698   18.813   16.412   79.082   7.9033   50.987   18.462 28.09532 20.08228 
1 1 1   15   20   15 o   80.324   8.0984   38.273   7.4723   32.170   8.3313   63.374   16.896   67.651   9.0878   92.998   13.407 -25.34705 16.19690 
1 1 1   15   20   16 o   55.308   10.040   26.156   7.0931   29.285   7.9018   13.174   16.095   64.524   9.0369   46.092   17.931 18.43257 20.07974 
1 1 1   15   20   17 o   55.562   10.449   23.648   7.0032   23.841   7.8488   22.897   15.510   57.035   10.543   54.088   18.045 2.947777 20.89898 
1 1 1   15   20   18 o   51.000   9.6352   21.844   6.7335   25.156   7.6219   10.067   14.372   59.631   9.4321   42.370   16.804 17.26073 19.27031 
1 1 1   15   20   19 o   43.959   9.4745   15.937   6.6611   20.488   7.6023   0.8974   13.820   52.518   11.033   35.399   15.406 17.11861 18.94899 
1 1 1   15   20   20 o   50.958   10.807   17.107   6.9637   14.173   7.8585   27.830   15.026   43.357   12.615   58.558   17.550 -15.20126 21.61349 
1 1 1   15   20   21 o   38.799   10.459   5.8179   6.6406   2.3239   7.5088   18.361   14.227   28.487   11.827   49.112   17.255 -20.62520 20.91889 
1 1 1   15   20   22 o   27.577   8.7068  -1.0568   6.1230   1.9840   6.8908 -12.4655   13.347   27.196   11.314   27.957   13.238 -0.7608013 17.41369 
1 1 1   15   20   23 f   58.035   10.400   25.340   7.2174   24.412   8.1962   28.545   15.229   57.275   10.959   58.796   17.679 -1.520386 20.80047 
1 1 1   15   20   24 o   83.229   8.9185   52.285   8.2162   52.746   9.4515   50.858   16.623   86.572   8.0564   79.886   15.914 6.685486 17.83708 
1 1 1   15   20   25 o   29.427   11.829   3.7828   7.2180   3.7828   7.2180   0.0000   0.0000   29.427   11.829  ?   ?       ?      ? 
1 1 1   15   20   26 o   32.033   12.025   6.2401   7.0707   6.2401   7.0707   0.0000   0.0000   32.033   12.025  ?   ?       ?      ? 
1 1 1   15   20   27 o   45.834   12.048   16.123   7.5818   16.123   7.5818   0.0000   0.0000   45.834   12.048  ?   ?       ?      ? 
1 1 1   15   20   28 o   55.919   10.654   23.382   7.7783   23.382   7.7783   0.0000   0.0000   55.919   10.654  ?   ?       ?      ? 
1 1 1   15   20   29 o   53.891   10.974   21.908   7.7424   21.908   7.7424   0.0000   0.0000   53.891   10.974  ?   ?       ?      ? 
1 1 1   15   20   30 o   28.377   11.497   3.3820   6.8782   3.3820   6.8782   0.0000   0.0000   28.377   11.497  ?   ?       ?      ? 
1 1 1   15   21    0 o   88.869   7.2164   56.334   8.6760   55.045   12.540   57.518   12.016   87.745   10.546   89.994   9.8527 -2.249634 14.43275 
1 1 1   15   21    1 o   97.961   6.8320   68.004   9.0588   69.220   13.179   66.916   12.472   98.702   9.8534   97.219   9.4667 1.483002 13.66409 
1 1 1   15   21    2 o   75.087   8.3592   41.361   8.1565   51.535   11.857   32.221   11.238   84.960   10.298   65.214   13.170 19.74554 16.71848 
1 1 1   15   21    3 o   46.712   10.184   16.624   7.0856   16.423   9.9163   16.834   10.128   46.454   14.327   46.971   14.477 -0.5172844 20.36780 
1 1 1   15   21    4 o   49.482   11.396   15.045   8.3669   8.8665   9.8962   30.531   15.668   37.775   14.218   61.189   17.815 -23.41344 22.79265 
1 1 1   15   21    5 o   47.409   11.442   13.206   8.2146   7.8874   9.6010   27.737   15.870   36.502   13.941   58.317   18.147 -21.81463 22.88347 
1 1 1   15   21    6 o   56.578   11.317   25.291   8.6815   25.340   10.458   25.182   15.572   57.347   13.653   55.810   18.052 1.536713 22.63387 
1 1 1   15   21    7 o   52.912   11.207   16.925   8.5631   8.4138   10.143   38.043   15.977   37.431   14.321   68.393   17.243 -30.96171 22.41466 
1 1 1   15   21    8 f   46.767   11.177   16.697   8.1826   17.908   9.8106   13.929   14.832   48.136   14.120   45.397   17.330 2.739090 22.35428 
1 1 1   15   21    9 o   57.282   10.634   24.258   7.9508   24.258   7.9508   0.0000   0.0000   57.282   10.634  ?   ?       ?      ? 
1 1 1   15   21   10 o   63.937   9.3105   29.068   8.0669   29.068   8.0669   0.0000   0.0000   63.937   9.3105  ?   ?       ?      ? 
1 1 1   15   21   11 o   41.928   8.0089   14.394   6.5683   23.381   7.3702 -20.2950   14.480   57.262   9.4979   26.594   12.898 30.66829 16.01788 
1 1 1   15   21   12 o   89.274   8.2476   56.781   8.2678   55.549   9.3552   61.174   17.669   88.975   7.7589   89.572   14.556 -0.5974655 16.49511 
1 1 1   15   21   13 o   76.074   9.8681   47.318   7.9398   49.667   8.9825   38.924   16.978   84.057   7.8857   68.090   18.092 15.96719 19.73611 
1 1 1   15   21   14 o   75.690   9.7841   45.593   7.8824   46.946   8.9077   40.710   16.923   81.630   8.0525   69.749   17.835 11.88077 19.56824 
1 1 1   15   21   15 o   42.865   9.9568   14.532   6.4594   16.574   7.2568   6.7400   14.173   46.691   11.536   39.039   16.232 7.652119 19.91351 
1 1 1   15   21   16 o   56.855   10.514   24.035   7.8023   24.035   7.8023   0.0000   0.0000   56.855   10.514  ?   ?       ?      ? 
1 1 1   15   21   17 o   40.038   12.349   12.117   7.3678   12.117   7.3678   0.0000   0.0000   40.038   12.349  ?   ?       ?      ? 
1 1 1   15   21   18 o   41.112   12.061   12.884   7.1571   12.884   7.1571   0.0000   0.0000   41.112   12.061  ?   ?       ?      ? 
1 1 1   15   21   19 o   32.726   12.131   6.8227   7.1509   6.8227   7.1509   0.0000   0.0000   32.726   12.131  ?   ?       ?      ? 
1 1 1   15   21   20 o   61.510   9.8164   27.332   8.1825   27.332   8.1825   0.0000   0.0000   61.510   9.8164  ?   ?       ?      ? 
1 1 1   15   21   21 o   51.567   16.239   21.886   12.666   21.886   12.666   0.0000   0.0000   51.567   16.239  ?   ?       ?      ? 
1 1 1   15   21   22 o   58.249   16.266   28.311   13.332   28.311   13.332   0.0000   0.0000   58.249   16.266  ?   ?       ?      ? 
1 1 1   15   21   23 o   40.202   15.527   10.815   12.001   10.815   12.001   0.0000   0.0000   40.202   15.527  ?   ?       ?      ? 
1 1 1   15   21   24 o   41.283   15.680   12.019   12.104   12.019   12.104   0.0000   0.0000   41.283   15.680  ?   ?       ?      ? 
1 1 1   15   22    0 o   59.341   9.7896   28.053   7.7786   23.127   11.250   32.566   10.767   53.583   14.935   65.099   12.661 -11.51662 19.57915 
1 1 1   15   22    1 o   78.917   8.4495   47.528   8.5801   38.222   12.529   55.749   11.775   69.969   13.704   87.865   9.8889 -17.89587 16.89907 
1 1 1   15   22    2 o   90.590   7.3669   59.081   8.9973   67.193   13.517   52.626   12.056   96.143   10.374   85.037   10.462 11.10617 14.73389 
1 1 1   15   22    3 o   58.282   10.764   24.151   8.8213   13.318   10.938   44.308   14.920   42.346   15.103   74.219   15.341 -31.87346 21.52798 
1 1 1   15   22    4 o   36.422   9.8809  -4.7507   7.5375 -15.9551   8.9118   23.408   14.128   19.845   9.7310   52.999   17.200 -33.15412 19.76187 
1 1 1   15   22    5 o   90.136   9.0144   61.004   10.472   60.534   12.995   61.875   17.688   91.092   10.527   89.180   14.636 1.912346 18.02883 
1 1 1   15   22    6 o   91.710   8.9700   63.329   10.628   63.290   13.249   63.400   17.800   93.130   10.498   90.291   14.547 2.839752 17.94004 
1 1 1   15   22    7 f   34.406   10.226   4.5274   7.7497   5.6243   9.3535   2.1256   13.841   33.474   13.462   35.337   15.397 -1.863167 20.45235 
1 1 1   15   22    8 o   31.567   12.017   5.9653   7.1187   5.9653   7.1187   0.0000   0.0000   31.567   12.017  ?   ?       ?      ? 
1 1 1   15   22    9 o   69.803   8.8670   34.881   8.3875   34.881   8.3875   0.0000   0.0000   69.803   8.8670  ?   ?       ?      ? 
1 1 1   15   22   10 o   69.542   8.8157   34.620   8.3078   34.620   8.3078   0.0000   0.0000   69.542   8.8157  ?   ?       ?      ? 
1 1 1   15   22   11 o   71.393   8.6221   36.423   8.3415   36.423   8.3415   0.0000   0.0000   71.393   8.6221  ?   ?       ?      ? 
1 1 1   15   22   12 o   52.169   10.960   20.684   7.5020   20.684   7.5020   0.0000   0.0000   52.169   10.960  ?   ?       ?      ? 
1 1 1   15   22   13 o   36.369   12.247   9.7524   7.1452   9.7524   7.1452   0.0000   0.0000   36.369   12.247  ?   ?       ?      ? 
1 1 1   15   22   14 o   67.482   9.3358   32.906   8.5373   32.906   8.5373   0.0000   0.0000   67.482   9.3358  ?   ?       ?      ? 
1 1 1   15   22   15 o   61.360   13.887   30.161   11.278   30.161   11.278   0.0000   0.0000   61.360   13.887  ?   ?       ?      ? 
1 1 1   15   22   16 o   46.076   14.782   17.153   10.458   17.153   10.458   0.0000   0.0000   46.076   14.782  ?   ?       ?      ? 
1 1 1   15   22   17 o   38.485   14.200   10.604   9.7750   10.604   9.7750   0.0000   0.0000   38.485   14.200  ?   ?       ?      ? 
1 1 1   15   22   18 o   38.343   14.265   10.450   9.9058   10.450   9.9058   0.0000   0.0000   38.343   14.265  ?   ?       ?      ? 
1 1 1   15   23    0 o   36.747   15.089   7.1910   12.043   0.0000   0.0000   7.1910   12.043  ?   ?    36.747   15.089      ?      ? 
1 1 1   15   23    1 o   31.206   13.870  -0.3464   11.761   0.0000   0.0000  -0.3464   11.761  ?   ?    31.206   13.870      ?      ? 
1 1 1   15   23    2 o   40.482   15.906   11.271   12.764   0.0000   0.0000   11.271   12.764  ?   ?    40.482   15.906      ?      ? 
1 1 1   15   23    3 o   26.211   8.7296  -8.0020   7.6294  -8.3565   9.5195  -7.3654   12.757   23.781   11.236   28.640   13.363 -4.859772 17.45926 
1 1 1   15   23    4 o   48.386   11.625   19.865   8.9574   20.942   10.918   17.648   15.666   50.134   14.945   46.639   17.809 3.495861 23.24914 
1 1 1   15   23    5 o   63.029   11.183   31.332   9.4106   22.921   11.752   46.366   15.711   52.051   15.503   74.007   16.122 -21.95581 22.36650 
1 1 1   15   23    6 o   54.198   11.774   24.806   9.2411   21.996   11.640   29.595   15.197   50.986   15.485   57.409   17.741 -6.423401 23.54805 
1 1 1   15   23    7 o   36.050   14.429   7.8190   10.690   7.8190   10.690   0.0000   0.0000   36.050   14.429  ?   ?       ?      ? 
1 1 1   15   23    8 o   59.910   10.736   27.367   8.3960   27.367   8.3960   0.0000   0.0000   59.910   10.736  ?   ?       ?      ? 
1 1 1   15   23    9 o   28.019   11.573   3.0700   7.1365   3.0700   7.1365   0.0000   0.0000   28.019   11.573  ?   ?       ?      ? 
1 1 1   15   23   10 o   45.347   12.258   16.394   7.7121   16.394   7.7121   0.0000   0.0000   45.347   12.258  ?   ?       ?      ? 
1 1 1   15   23   11 o   63.625   9.5874   29.762   8.2663   29.762   8.2663   0.0000   0.0000   63.625   9.5874  ?   ?       ?      ? 
1 1 1   15   24    0 o   54.017   11.564   26.020   9.6444   16.328   13.007   37.855   14.373   43.463   16.311   64.571   16.396 -21.10769 23.12783 
1 1 1   15   24    1 o   37.357   10.804   9.4145   8.6766   9.8508   11.771   8.8954   12.840   37.453   15.088   37.260   15.467 0.1933022 21.60715 
1 1 1   15   24    2 o   45.412   11.145   18.376   8.6817   23.050   11.750   12.756   12.884   50.574   15.595   40.250   15.927 10.32409 22.29042 
1 1 1   15   24    3 o   44.400   10.949   17.336   8.5785   23.182   11.464   9.8973   12.932   50.848   15.350   37.953   15.617 12.89561 21.89731 
1 1 1   15   24    4 o   41.326   10.843   14.340   8.2690   17.825   11.206   10.175   12.252   44.863   15.337   37.789   15.333 7.073898 21.68670 
1 1 1   16    0    0 o  943.120   21.490  6048.95  274.328  6048.95  274.328   0.0000   0.0000  943.120   21.490  943.120   21.490 -0.000000 0.000000 
1 1 1   16    0    1 o  1570.30   34.795 16823.82  739.612 16823.82  739.612   0.0000   0.0000  1570.30   34.795  1570.30   34.795 -0.000000 0.000000 
1 1 1   16    0    2 o  208.086   8.3612  294.895   23.491  294.895   23.491   0.0000   0.0000  208.086   8.3612  208.086   8.3612 -0.000000 0.000000 
1 1 1   16    0    3 o  444.757   11.690  1343.87   70.346  1343.87   70.346   0.0000   0.0000  444.757   11.690  444.757   11.690 -0.000000 0.000000 
1 1 1   16    0    4 f  231.478   8.5243  364.642   26.657  364.642   26.657   0.0000   0.0000  231.478   8.5243  231.478   8.5243 -0.000000 0.000000 
1 1 1   16    0    5 o  290.206   9.2205  572.577   36.178  572.577   36.178   0.0000   0.0000  290.206   9.2205  290.206   9.2205 -0.000000 0.000000 
1 1 1   16    0    6 o  1185.29   26.531  9561.91  425.674  9561.91  425.674   0.0000   0.0000  1185.29   26.531  1185.29   26.531 -0.000000 0.000000 
1 1 1   16    0    7 o  472.442   12.144  1516.28   77.630  1516.28   77.630   0.0000   0.0000  472.442   12.144  472.442   12.144 -0.000000 0.000000 
1 1 1   16    0    8 o  1628.19   36.013 18086.17  793.721 18086.17  793.721   0.0000   0.0000  1628.19   36.013  1628.19   36.013 -0.000000 0.000000 
1 1 1   16    0    9 o  544.842   13.461  2016.58   99.248  2016.58   99.248   0.0000   0.0000  544.842   13.461  544.842   13.461 -0.000000 0.000000 
1 1 1   16    0   10 o  1304.25   29.050 11583.89  512.868 11583.89  512.868   0.0000   0.0000  1304.25   29.050  1304.25   29.050 -0.000000 0.000000 
1 1 1   16    0   11 o  691.510   16.308  3249.08  152.627  3249.08  152.627   0.0000   0.0000  691.510   16.308  691.510   16.308 -0.000000 0.000000 
1 1 1   16    0   12 o  319.383   6.8306  693.297   29.480  728.832   41.978  658.714   41.411  327.499   9.4765  311.267   9.8398 -0.000000 0.000000 
1 1 1   16    0   13 o  148.987   5.7145  151.876   11.407  152.959   15.450  150.580   16.913  149.643   7.6650  148.330   8.4777 -0.000000 0.000000 
1 1 1   16    0   14 o  482.790   8.7330  1583.19   57.041  1567.66   79.800  1599.41   81.567  480.373   12.277  485.207   12.424 -0.000000 0.000000 
1 1 1   16    0   15 o  196.234   5.7622  261.545   15.238  248.092   20.843  276.994   22.335  190.809   8.0938  201.659   8.2038 -0.000000 0.000000 
1 1 1   16    0   16 o  854.016   13.886  4945.65  160.293  5223.18  234.263  4701.32  219.803  876.504   19.745  831.528   19.531 -0.000000 0.000000 
1 1 1   16    0   17 o  1107.24   17.608  8340.17  263.803  8152.88  367.057  8540.26  379.396  1094.40   24.779  1120.09   25.024 -0.000000 0.000000 
1 1 1   16    0   18 o  404.801   7.7547  1112.30   42.444  1080.82   58.804  1146.54   61.324  398.822   10.899  410.781   11.034 -0.000000 0.000000 
1 1 1   16    0   19 f  884.890   14.330  5323.33  171.579  5218.08  239.113  5435.04  246.348  875.880   20.170  893.900   20.360 -0.000000 0.000000 
1 1 1   16    0   20 o  366.501   7.3280  910.056   36.271  861.282   49.626  965.989   53.144  355.973   10.307  377.030   10.419 -0.000000 0.000000 
1 1 1   16    0   21 o  623.508   10.618  2638.24   89.522  2543.89  123.488  2742.75  129.968  611.770   14.915  635.247   15.117 -0.000000 0.000000 
1 1 1   16    0   22 o  331.268   6.9477  743.396   31.071  701.119   42.437  792.246   45.617  321.131   9.7722  341.406   9.8786 -0.000000 0.000000 
1 1 1   16    0   23 o  592.122   10.183  2383.06   81.597  2415.29  115.825  2351.30  114.971  596.109   14.357  588.134   14.445 -0.000000 0.000000 
1 1 1   16    0   24 o  508.756   9.0844  1754.66   62.459  1871.39   90.941  1650.43   85.932  524.767   12.805  492.745   12.889 -0.000000 0.000000 
1 1 1   16    0   25 o  1382.10   21.793 13042.49  407.473 12680.95  564.756 13435.04  588.485  1362.18   30.629  1402.01   31.008 -0.000000 0.000000 
1 1 1   16    0   26 o  200.490   5.8197  273.781   15.735  271.757   21.727  276.013   22.817  199.731   8.0573  201.250   8.3998 -0.000000 0.000000 
1 1 1   16    0   27 o  275.819   6.4000  513.580   23.771  465.220   32.068  572.570   35.417  261.466   9.0752  290.172   9.0266 -0.000000 0.000000 
1 1 1   16    0   28 o  183.118   8.3505  228.766   20.624   0.0000   0.0000  228.766   20.624  183.118   8.3505  183.118   8.3505 -0.000000 0.000000 
1 1 1   16    0   29 o  249.312   8.8886  423.096   29.944   0.0000   0.0000  423.096   29.944  249.312   8.8886  249.312   8.8886 -0.000000 0.000000 
1 1 1   16    0   30 o  198.791   5.8829  268.281   15.752  249.890   21.502  289.584   23.142  191.428   8.3248  206.153   8.3146 -0.000000 0.000000 
1 1 1   16    0   31 o  181.244   5.8200  224.814   14.179  241.500   19.848  207.423   20.263  188.238   7.8116  174.250   8.6295 -0.000000 0.000000 
1 1 1   16    0   32 o  252.041   6.2226  432.421   21.183  432.141   29.479  432.720   30.460  251.975   8.6563  252.107   8.9414 -0.000000 0.000000 
1 1 1   16    0   33 o  417.732   7.9805  1186.44   45.084  1232.80   64.528  1142.22   63.017  425.730   11.202  409.733   11.369 -0.000000 0.000000 
1 1 1   16    0   34 o  395.087   7.7085  1062.09   41.195  1076.10   58.131  1047.95   58.388  397.725   10.804  392.448   10.998 -0.000000 0.000000 
1 1 1   16    0   35 o  325.069   6.9558  719.200   30.570  724.922   42.868  713.280   43.606  326.406   9.7111  323.731   9.9612 -0.000000 0.000000 
1 1 1   16    0   36 o  188.008   8.1682  241.134   20.721  241.134   20.721   0.0000   0.0000  188.008   8.1682  188.008   8.1682 -0.000000 0.000000 
1 1 1   16    0   37 f  215.168   6.1351  312.000   17.718  278.618   23.609  355.038   26.807  202.085   8.6573  228.250   8.6955 -0.000000 0.000000 
1 1 1   16    0   38 o  232.731   6.1580  368.354   19.340  351.898   26.637  386.699   28.124  227.227   8.6794  238.236   8.7381 -0.000000 0.000000 
1 1 1   16    0   39 o  247.804   6.2777  418.554   21.010  428.711   29.543  408.159   29.886  250.884   8.7134  244.724   9.0397 -0.000000 0.000000 
1 1 1   16    0   40 o  212.360   6.0686  306.473   17.366  284.235   23.795  331.816   25.402  204.098   8.6387  220.622   8.5255 -0.000000 0.000000 
1 1 1   16    0   41 o  255.423   6.3564  444.223   21.931  431.890   30.523  457.387   31.534  251.750   8.9727  259.096   9.0058 -0.000000 0.000000 
1 1 1   16    0   42 o  119.674   6.3243   99.505   10.015  114.416   14.134   84.470   14.193  129.073   8.1555  110.275   9.6683 -0.000000 0.000000 
1 1 1   16    0   43 o  244.209   6.3277  404.207   20.810  365.859   28.286  449.453   30.726  231.590   9.0444  256.827   8.8521 -0.000000 0.000000 
1 1 1   16    0   44 o  142.949   6.0722  140.581   11.619  153.922   16.420  127.201   16.444  149.924   8.1370  135.973   9.0154 -0.000000 0.000000 
1 1 1   16    0   45 o  405.237   7.9088  1119.04   43.349  1102.83   60.607  1136.03   62.026  402.235   11.138  408.238   11.231 -0.000000 0.000000 
1 1 1   16    0   46 o  102.140   6.7088   72.786   9.0871   75.949   12.745   69.516   12.960  104.555   9.1566   99.726   9.8077 -0.000000 0.000000 
1 1 1   16    0   47 o   94.364   7.3406   63.091   8.8064   78.677   12.702   48.663   12.220  106.510   8.9452   82.218   11.641 -0.000000 0.000000 
1 1 1   16    0   48 o  464.551   12.309  1472.96   77.364   0.0000   0.0000  1472.96   77.364  464.551   12.309  464.551   12.309 -0.000000 0.000000 
1 1 1   16    0   49 o  408.320   8.0323  1137.05   44.357  1168.15   63.496  1107.40   61.990  413.789   11.343  402.852   11.376 -0.000000 0.000000 
1 1 1   16    0   50 o  255.753   6.4970  446.391   22.447  455.497   31.699  437.231   31.791  258.401   9.0780  253.105   9.2971 -0.000000 0.000000 
1 1 1   16    0   51 o  295.976   6.8336  597.055   27.329  578.331   37.928  617.272   39.411  291.145   9.6372  300.807   9.6911 -0.000000 0.000000 
1 1 1   16    0   52 o  259.365   6.6031  459.237   23.138  463.066   32.619  455.359   32.827  260.472   9.2678  258.259   9.4081 -0.000000 0.000000 
1 1 1   16    0   53 o  124.176   6.5965  106.487   10.949  103.001   15.150  110.299   15.842  122.027   9.2850  126.324   9.3726 -0.000000 0.000000 
1 1 1   16    0   54 o  164.214   8.8816  184.956   19.632  184.956   19.632   0.0000   0.0000  164.214   8.8816  164.214   8.8816 -0.000000 0.000000 
1 1 1   16    0   55 o   26.304   10.974   4.3351   6.8987   0.2498   9.3680   9.1756   10.197   21.689   13.941   30.919   16.952 -0.000000 0.000000 
1 1 1   16    0   56 o  490.486   9.0967  1643.44   60.296  1569.26   82.837  1727.03   87.934  478.747   12.789  502.224   12.940 -0.000000 0.000000 
1 1 1   16    0   57 o  147.563   6.7048  149.203   13.191  127.832   17.975  174.145   19.419  135.934   9.8780  159.192   9.0688 -0.000000 0.000000 
1 1 1   16    0   58 o  116.915   10.541   95.451   16.388   0.0000   0.0000   95.451   16.388  116.915   10.541  116.915   10.541 -0.000000 0.000000 
1 1 1   16    0   59 o  380.022   11.042  988.828   56.753  988.828   56.753   0.0000   0.0000  380.022   11.042  380.022   11.042 -0.000000 0.000000 
1 1 1   16    0   60 o  109.371   7.4743   84.445   10.723   93.726   14.986   74.707   15.350  116.035   9.6858  102.707   11.386 -0.000000 0.000000 
1 1 1   16    0   61 o  248.911   6.6818  424.697   22.442  448.698   31.911  401.208   31.568  255.966   9.2269  241.856   9.6670 -0.000000 0.000000 
1 1 1   16    0   62 o  138.683   6.7945  132.120   12.552  114.746   16.963  153.141   18.660  128.466   9.8784  148.900   9.3315 -0.000000 0.000000 
1 1 1   16    0   63 o  184.729   6.5341  234.785   16.254  231.854   22.535  237.963   23.465  183.560   9.1104  185.899   9.3690 -0.000000 0.000000 
1 1 1   16    0   64 o   87.152   12.585   55.386   13.962   0.0000   0.0000   55.386   13.962   87.152   12.585   87.152   12.585 -0.000000 0.000000 
1 1 1   16    0   65 o  232.805   9.5465  373.188   30.002   0.0000   0.0000  373.188   30.002  232.805   9.5465  232.805   9.5465 -0.000000 0.000000 
1 1 1   16    0   66 o   92.736   8.2677   61.663   9.7966   52.137   13.356   72.759   14.414   84.303   12.498  101.168   10.827 -0.000000 0.000000 
1 1 1   16    0   67 o  112.807   7.3554   90.194   10.948   99.415   15.354   80.658   15.614  119.151   9.6551  106.463   11.099 -0.000000 0.000000 
1 1 1   16    0   68 o  136.533   6.8390  129.880   12.489  121.282   17.234  139.391   18.125  131.670   9.7829  141.396   9.5594 -0.000000 0.000000 
1 1 1   16    0   69 o   24.019   14.814   3.4968   9.4397   3.4968   9.4397   0.0000   0.0000   24.019   14.814   24.019   14.814 -0.000000 0.000000 
1 1 1   16    0   70 o   46.142   17.864   20.577   10.617   20.577   10.617   0.0000   0.0000   46.142   17.864   46.142   17.864 -0.000000 0.000000 
1 1 1   16    0   71 o   53.982   12.186   26.821   8.2933   34.357   11.612   18.975   11.848   65.411   15.047   42.553   19.171 -0.000000 0.000000 
1 1 1   16    0   72 o   51.224   11.438   24.842   8.1440   36.742   11.352   12.226   11.690   68.646   13.759   33.801   18.276 -0.000000 0.000000 
1 1 1   16    0   73 o  234.156   6.8639  381.394   21.643  355.688   29.422  411.705   31.949  225.588   9.6649  242.724   9.7490 -0.000000 0.000000 
1 1 1   16    0   74 o   25.260   10.857   4.0894   7.2900   8.4632   9.8640  -1.1748   10.822   28.878   16.352   21.643   14.287 -0.000000 0.000000 
1 1 1   16    0   75 o   90.416   8.4656   60.543   9.8535   59.970   13.600   61.177   14.296   90.129   11.675   90.704   12.262 -0.000000 0.000000 
1 1 1   16    0   76 o  107.609   7.7102   83.989   10.932   85.217   15.030   82.609   15.930  108.766   10.417  106.452   11.370 -0.000000 0.000000 
1 1 1   16    0   77 o   39.384   12.034   15.883   7.7026   24.430   10.841   7.1692   10.946   50.958   17.470   27.809   16.556 -0.000000 0.000000 
1 1 1   16    0   78 o   27.901   11.561   7.4890   7.4488   5.0165   10.908   9.6495   10.197   25.830   15.928   29.972   16.763 -0.000000 0.000000 
1 1 1   16    0   79 o  124.446   10.647  111.887   17.652   0.0000   0.0000  111.887   17.652  124.446   10.647  124.446   10.647 -0.000000 0.000000 
1 1 1   16    0   80 o   38.677   13.578   17.269   8.6033   17.581   12.105   16.951   12.230   39.107   19.200   38.248   19.205 -0.000000 0.000000 
1 1 1   16    0   81 o   34.252   11.911   8.8489   8.2576  -3.4605   11.009   24.681   12.486   20.177   13.652   48.328   19.521 -0.000000 0.000000 
1 1 1   16    0   82 o   33.952   12.472   11.013   8.5362   1.4446   11.591   22.353   12.618   23.359   15.197   44.544   19.780 -0.000000 0.000000 
1 1 1   16    0   83 o   68.721   17.500   41.650   14.090   41.650   14.090   0.0000   0.0000   68.721   17.500   68.721   17.500 -0.000000 0.000000 
1 1 1   16    0   84 o   21.023   10.080  -3.1821   8.5759  -4.0791   11.965  -2.2343   12.299   20.443   13.943   21.604   14.561 -0.000000 0.000000 
1 1 1   16    0   85 o   28.476   12.161   7.7150   8.8382   2.2653   12.070   14.015   12.977   23.693   15.447   33.259   18.786 -0.000000 0.000000 
1 1 1   16    0   86 o   30.841   12.755   11.828   8.9532   13.526   12.586   10.089   12.738   32.384   18.418   29.298   17.651 -0.000000 0.000000 
1 1 1   16    0   87 o   17.446   8.6970 -10.3947   8.1794 -16.3556   11.647  -4.5939   11.489   15.585   11.215   19.308   13.296 -0.000000 0.000000 
1 1 1   16    1    0 o  708.441   8.3269  3404.04   79.930  3342.87  111.995  3467.55  114.112  701.956   11.773  714.926   11.778 -12.97009 16.65374 
1 1 1   16    1    1 o  1440.04   15.952 14109.44  311.231 13848.64  434.750 14383.60  445.751  1426.42   22.491  1453.67   22.628 -27.24963 31.90407 
1 1 1   16    1    2 o  432.939   5.7245  1270.77   33.584  1258.61   47.485  1282.93   47.505  430.867   8.1327  435.012   8.0585 -4.144714 11.44905 
1 1 1   16    1    3 o  929.203   12.237  5891.43  133.875  5813.01  265.436  5918.18  155.039  924.435   21.189  933.972   12.250 -9.537720 24.47465 
1 1 1   16    1    4 o  585.194   8.2289  2317.66   56.375  2333.75  113.337  2312.36   64.985  586.370   14.263  584.018   8.2111 2.351990 16.45787 
1 1 1   16    1    5 o  751.097   10.109  3826.36   89.017  3834.62  178.343  3823.62  102.728  751.310   17.517  750.885   10.096 0.4250488 20.21780 
1 1 1   16    1    6 o  859.388   11.417  5081.62  116.337  4877.40  226.591  5154.72  135.570  847.040   19.740  871.735   11.476 -24.69525 22.83389 
1 1 1   16    1    7 o  715.124   8.3939  3468.77   81.339  3430.58  114.229  3508.04  115.850  711.134   11.853  719.115   11.888 -7.980896 16.78780 
1 1 1   16    1    8 o  1130.26   12.658  8679.04  193.870  8650.72  273.595  8707.61  274.756  1128.41   17.892  1132.11   17.909 -3.701416 25.31521 
1 1 1   16    1    9 o  401.089   5.4500  1090.24   29.618  1068.54   41.486  1112.81   42.298  397.019   7.7109  405.159   7.7039 -8.139709 10.89993 
1 1 1   16    1   10 f  524.338   6.5436  1864.15   46.495  1856.63   65.580  1871.75   65.929  523.275   9.2483  525.400   9.2598 -2.125183 13.08719 
1 1 1   16    1   11 o  810.503   9.3465  4456.90  102.647  4400.50  143.969  4515.20  146.390  805.292   13.193  815.714   13.243 -10.42255 18.69298 
1 1 1   16    1   12 o  1305.58   14.513 11590.09  256.750 11473.04  360.585 11710.47  365.668  1298.90   20.486  1312.26   20.563 -13.35339 29.02579 
1 1 1   16    1   13 o  717.247   8.4214  3489.53   81.847  3535.61  116.634  3444.83  114.883  721.910   11.922  712.584   11.897 9.325439 16.84279 
1 1 1   16    1   14 o  259.722   4.3935  457.196   15.461  447.124   21.781  467.426   21.951  256.839   6.2580  262.606   6.1683 -5.767548 8.786974 
1 1 1   16    1   15 o  998.080   11.288  6758.27  152.575  6986.75  220.527  6548.48  211.315  1014.23   16.045  981.929   15.881 32.30188 22.57519 
1 1 1   16    1   16 o  238.575   4.2604  385.698   13.772  395.169   19.637  376.532   19.319  241.456   6.0015  235.693   6.0485 5.763046 8.520717 
1 1 1   16    1   17 o  326.128   5.9237  722.803   24.721  716.222   42.583  726.148   30.361  324.967   9.6696  327.289   6.8455 -2.322235 11.84743 
1 1 1   16    1   18 o  872.591   12.260  5203.03  137.288  5089.95  234.249  5262.19  169.437  864.870   19.987  880.312   14.203 -15.44232 24.51955 
1 1 1   16    1   19 o  315.918   4.7673  676.568   20.409  680.960   28.960  672.235   28.766  316.937   6.7428  314.900   6.7411 2.036926 9.534532 
1 1 1   16    1   20 o  665.501   7.9009  3000.61   71.196  2883.42   98.322  3129.80  103.228  651.865   11.130  679.137   11.217 -27.27191 15.80180 
1 1 1   16    1   21 o  596.415   7.2191  2413.18   58.345  2433.30   82.934  2393.46   82.096  598.875   10.219  593.955   10.200 4.920715 14.43829 
1 1 1   16    1   22 o  400.369   5.4369  1086.95   29.498  1080.94   41.632  1093.01   41.801  399.257   7.6947  401.481   7.6832 -2.223602 10.87383 
1 1 1   16    1   23 o  410.084   5.5164  1140.42   30.656  1140.29   43.366  1140.55   43.342  410.062   7.8040  410.107   7.7989 -0.4537964E-01 11.03290 
1 1 1   16    1   24 o  262.668   5.4236  467.288   18.180  469.637   31.597  466.126   22.228  263.123   8.8616  262.212   6.2556 0.9111023 10.84711 
1 1 1   16    1   25 o  749.951   10.733  3826.46  102.844  3817.93  177.947  3830.75  126.024  748.879   17.535  751.023   12.383 -2.143738 21.46615 
1 1 1   16    1   26 o  394.703   5.4094  1056.30   28.929  1080.18   41.295  1033.29   40.540  399.083   7.6357  390.323   7.6644 8.759979 10.81880 
1 1 1   16    1   27 o  642.742   7.6901  2804.93   66.980  2788.19   94.339  2821.94   95.113  640.810   10.864  644.674   10.887 -3.864685 15.38023 
1 1 1   16    1   28 o  697.070   8.2284  3296.56   77.673  3181.64  107.435  3422.40  112.427  684.367   11.584  709.773   11.689 -25.40564 16.45680 
1 1 1   16    1   29 o  970.725   11.035  6416.99  145.155  6455.28  206.103  6379.32  204.466  973.593   15.622  967.858   15.589 5.735046 22.06945 
1 1 1   16    1   30 o  174.442   4.0592  206.100   9.5891  196.075   13.326  216.864   13.809  170.047   5.7830  178.837   5.6978 -8.789795 8.118407 
1 1 1   16    1   31 o  233.351   4.2919  368.781   13.553  397.502   19.531  342.109   18.822  242.105   5.9531  224.596   6.1841 17.50940 8.583810 
1 1 1   16    1   32 o  759.223   12.542  3922.03  129.039  3922.03  129.039   0.0000   0.0000  759.223   12.542  ?   ?       ?      ? 
1 1 1   16    1   33 o  676.427   11.372  3111.81  104.241  3111.81  104.241   0.0000   0.0000  676.427   11.372  ?   ?       ?      ? 
1 1 1   16    1   34 o  335.919   4.9734  765.286   22.633  744.016   31.560  787.806   32.474  331.116   7.0336  340.721   7.0332 -9.604797 9.946749 
1 1 1   16    1   35 o  387.668   5.3825  1019.72   28.268  1052.66   40.485  988.379   39.488  393.776   7.5869  381.559   7.6370 12.21716 10.76496 
1 1 1   16    1   36 o  331.815   4.9426  747.030   22.220  731.119   31.069  763.690   31.792  328.199   6.9856  335.430   6.9941 -7.230072 9.885139 
1 1 1   16    1   37 o  212.978   4.2403  307.697   12.237  301.866   17.165  313.723   17.449  210.926   6.0053  215.030   5.9881 -4.103531 8.480656 
1 1 1   16    1   38 o  216.704   4.2818  317.577   12.545  289.259   17.234  349.494   18.297  206.458   6.1598  226.950   5.9492 -20.49219 8.563657 
1 1 1   16    1   39 o  155.269   5.3241  174.135   10.394  131.326   16.997  199.708   13.137  138.975   9.0253  171.562   5.6506 -32.58781 10.64826 
1 1 1   16    1   40 o  144.264   4.2144  141.326   8.2201  129.262   11.538  153.760   11.714  138.001   6.1699  150.528   5.7425 -12.52763 8.428708 
1 1 1   16    1   41 o  345.606   5.0790  811.107   23.783  832.446   33.931  790.498   33.345  350.077   7.1523  341.135   7.2131 8.941620 10.15793 
1 1 1   16    1   42 o  240.275   4.4030  391.622   14.330  376.144   19.960  408.085   20.585  235.378   6.2577  245.173   6.1957 -9.795135 8.805994 
1 1 1   16    1   43 o  348.372   5.1131  824.610   24.138  834.674   34.248  814.678   34.024  350.487   7.2108  346.257   7.2512 4.229218 10.22618 
1 1 1   16    1   44 o  393.437   5.4794  1050.71   29.190  1105.92   42.243  1000.26   40.382  403.315   7.7290  383.559   7.7691 19.75577 10.95885 
1 1 1   16    1   45 o  229.665   5.4234  362.593   15.937  346.476   27.186  371.032   19.672  225.595   8.8927  233.736   6.2108 -8.141144 10.84681 
1 1 1   16    1   46 o  355.487   6.3467  852.461   28.741  884.469   50.494  837.121   34.956  360.080   10.348  350.894   7.3513 9.185425 12.69347 
1 1 1   16    1   47 o  185.010   4.2896  232.547   10.752  237.350   15.154  227.677   15.257  186.940   5.9820  183.079   6.1497 3.861328 8.579206 
1 1 1   16    1   48 o  157.730   4.3053  169.016   9.2017  170.171   12.967  167.844   13.060  158.275   6.0457  157.184   6.1311 1.091171 8.610538 
1 1 1   16    1   49 o  329.950   5.0419  739.526   22.529  776.546   32.452  705.084   31.301  337.919   7.0867  321.981   7.1738 15.93823 10.08382 
1 1 1   16    1   50 o  185.332   5.4016  234.369   12.661  235.461   15.381  232.075   22.299  186.152   6.0971  184.512   8.9182 1.640274 10.80324 
1 1 1   16    1   51 o  157.051   6.1838  167.630   13.161  167.630   13.161   0.0000   0.0000  157.051   6.1838  ?   ?       ?      ? 
1 1 1   16    1   52 o  209.566   5.4390  299.965   14.625  301.960   18.026  296.121   25.018  210.757   6.3117  208.376   8.8596 2.380630 10.87796 
1 1 1   16    1   53 f  306.800   4.9294  639.881   20.482  672.210   29.418  609.468   28.533  314.326   6.9063  299.275   7.0356 15.05167 9.858845 
1 1 1   16    1   54 o  105.163   6.3125   79.096   8.2882   86.169   10.214   65.463   14.181  112.542   6.6975   97.784   10.702 14.75771 12.62495 
1 1 1   16    1   55 o  391.176   6.7933  1038.48   33.978  1068.90   59.120  1023.47   41.521  394.865   11.048  387.486   7.9074 7.379425 13.58658 
1 1 1   16    1   56 o  153.623   5.4822  159.750   10.800  164.445   18.685  157.395   13.235  155.157   8.8868  152.089   6.4218 3.068466 10.96431 
1 1 1   16    1   57 o  339.688   6.3397  785.062   27.487  800.084   47.880  777.677   33.570  341.602   10.343  337.774   7.3339 3.827240 12.67943 
1 1 1   16    1   58 o  146.216   4.5847  145.472   9.0769  153.936   13.028  137.488   12.653  150.356   6.3943  142.077   6.5720 8.279465 9.169362 
1 1 1   16    1   59 o  158.932   4.5203  172.078   9.7354  171.310   13.736  172.854   13.800  158.576   6.3920  159.288   6.3932 -0.7124634 9.040524 
1 1 1   16    1   60 o  132.600   4.6952  119.992   8.4136  108.851   11.805  131.496   11.995  126.305   6.8968  138.894   6.3728 -12.58871 9.390374 
1 1 1   16    1   61 o   61.972   8.5903   28.683   6.6370   22.565   11.266   31.934   8.2136   55.731   14.704   68.213   8.8855 -12.48265 17.18064 
1 1 1   16    1   62 o  169.805   6.3710  198.354   14.651  191.409   20.795  205.199   20.645  166.800   9.2000  172.811   8.8159 -6.010849 12.74204 
1 1 1   16    1   63 o  291.805   7.0909  582.803   28.040  582.803   28.040   0.0000   0.0000  291.805   7.0909  ?   ?       ?      ? 
1 1 1   16    1   64 o   97.317   5.3498   65.117   7.0233   72.725   9.9917   57.687   9.8743  103.011   7.1577   91.623   7.9528 11.38815 10.69955 
1 1 1   16    1   65 o  163.234   4.6249  182.416   10.226  174.802   14.334  190.306   14.592  159.745   6.6217  166.723   6.4586 -6.977615 9.249837 
1 1 1   16    1   66 o  148.578   5.9104  155.083   11.039  159.850   13.448  145.236   19.329  152.699   6.4988  144.456   9.8741 8.243454 11.82080 
1 1 1   16    1   67 o  252.679   6.7697  438.772   23.180  438.772   23.180   0.0000   0.0000  252.679   6.7697  ?   ?       ?      ? 
1 1 1   16    1   68 o   83.636   6.9870   50.111   7.4510   52.680   9.2598   45.395   12.549   87.254   7.8313   80.018   11.573 7.236000 13.97392 
1 1 1   16    1   69 o   90.867   5.5182   57.258   6.7946   56.949   9.6442   57.563   9.5743   90.610   7.8543   91.124   7.7534 -0.5136795 11.03650 
1 1 1   16    1   70 o  136.497   4.8486  128.746   8.9299  144.964   12.829  113.505   12.437  144.959   6.5310  128.036   7.1682 16.92366 9.697267 
1 1 1   16    1   71 o   53.808   9.0148   22.754   6.5323   16.195   10.874   26.457   8.1711   46.514   15.089   61.103   9.8681 -14.58872 18.02965 
1 1 1   16    1   72 o   99.575   6.5237   71.743   8.2481   65.082   13.990   75.292   10.211   95.143   10.851  104.007   7.2451 -8.863724 13.04739 
1 1 1   16    1   73 o   84.699   5.8998   50.576   6.7096   59.478   9.6537   42.258   9.3321   92.145   7.7311   77.254   8.9141 14.89114 11.79961 
1 1 1   16    1   74 o   79.890   6.0364   45.177   6.5254   48.316   9.2953   42.126   9.1628   82.723   8.2919   77.056   8.7748 5.666710 12.07287 
1 1 1   16    1   75 o   92.286   5.7013   60.480   7.0538   70.537   10.005   50.541   9.9463  100.269   7.3634   84.303   8.7063 15.96616 11.40260 
1 1 1   16    1   76 o   48.675   8.0279   18.056   5.7198   7.9930   8.0837   28.146   8.0943   34.848   12.902   62.502   9.5566 -27.65430 16.05580 
1 1 1   16    1   77 o   70.733   9.0696   43.374   7.6059   25.711   13.007   52.551   9.3759   55.414   16.260   86.052   8.0403 -30.63770 18.13929 
1 1 1   16    1   78 o   41.794   8.2992   12.514   5.6102   22.634   8.1163   3.2546   7.7634   54.331   11.388   29.256   12.076 25.07559 16.59850 
1 1 1   16    1   79 o  153.268   5.0085  165.691   10.402  163.880   14.731  167.491   14.689  152.389   7.1335  154.146   7.0322 -1.756592 10.01692 
1 1 1   16    1   80 o   73.351   6.9855   39.616   6.9299   37.832   9.9375   41.306   9.6686   71.519   10.254   75.184   9.4898 -3.665390 13.97109 
1 1 1   16    1   81 o  111.186   7.9074   88.682   11.914   88.682   11.914   0.0000   0.0000  111.186   7.9074  ?   ?       ?      ? 
1 1 1   16    1   82 o   51.434   9.8352   23.764   7.3880   29.068   9.2462   14.397   12.287   60.746   11.656   42.123   15.845 18.62279 19.67031 
1 1 1   16    1   83 o   64.771   8.0870   32.884   6.9330   30.391   9.7568   35.427   9.8534   61.433   12.150   68.110   10.676 -6.676922 16.17408 
1 1 1   16    1   84 o   56.635   8.7226   26.459   6.8395   15.380   9.4465   38.665   9.9157   42.206   14.083   71.063   10.297 -28.85701 17.44525 
1 1 1   16    1   85 o   40.281   10.600   13.662   7.4569   17.363   12.607   11.670   9.2480   43.113   16.083   37.450   13.813 5.662354 21.20006 
1 1 1   16    1   86 o   64.931   8.5472   35.318   7.2431   35.857   10.208   34.773   10.279   65.608   11.921   64.255   12.252 1.353310 17.09434 
1 1 1   16    1   87 o   59.988   9.1121   31.717   7.1886   33.238   10.178   30.204   10.154   61.818   12.578   58.158   13.188 3.659851 18.22415 
1 1 1   16    2    0 o  685.758   9.9257  3178.15   86.959  3151.09  106.285  3232.93  151.241  681.557   11.508  689.959   16.176 -8.402283 19.85147 
1 1 1   16    2    1 o  1122.36   15.491  8622.03  223.247  8408.94  380.143  8734.21  275.820  1110.95   25.251  1133.78   17.952 -22.82983 30.98176 
1 1 1   16    2    2 o  211.513   4.9092  299.552   12.024  310.391   24.743  296.201   13.758  213.965   8.5334  209.061   4.8562 4.903717 9.818428 
1 1 1   16    2    3 f  460.565   7.3630  1447.06   43.422  1412.50   74.407  1464.91   53.471  456.299   12.033  464.832   8.4887 -8.532318 14.72605 
1 1 1   16    2    4 f  527.854   7.6220  1879.81   46.955  1909.38   95.043  1870.26   54.007  530.455   13.222  525.253   7.5875 5.202759 15.24410 
1 1 1   16    2    5 o  664.219   9.6774  2981.91   81.855  3029.53  143.239  2958.82   99.747  667.964   15.824  660.474   11.144 7.490173 19.35477 
1 1 1   16    2    6 o  328.505   6.0011  727.542   25.125  743.654   43.964  719.728   30.618  331.157   9.7967  325.852   6.9338 5.305542 12.00221 
1 1 1   16    2    7 o  230.302   5.2151  357.348   15.335  366.050   26.751  353.089   18.715  232.361   8.4957  228.244   6.0507 4.116806 10.43019 
1 1 1   16    2    8 o  533.926   13.315  1934.46   96.342  1934.46   96.342   0.0000   0.0000  533.926   13.315  ?   ?       ?      ? 
1 1 1   16    2    9 o  304.344   4.7106  627.622   19.424  614.886   27.179  640.920   27.771  301.189   6.6591  307.499   6.6644 -6.309814 9.421127 
1 1 1   16    2   10 o  688.180   8.1224  3212.07   75.742  3176.46  106.307  3248.78  107.942  684.308   11.464  692.051   11.510 -7.742920 16.24483 
1 1 1   16    2   11 o  221.175   5.2866  324.828   14.623  314.551   17.442  349.134   26.825  215.428   5.9747  226.922   8.7232 -11.49405 10.57314 
1 1 1   16    2   12 o  871.310   12.277  5155.91  136.502  5152.43  166.967  5162.94  237.034  871.256   14.142  871.363   20.074 -0.1071167 24.55493 
1 1 1   16    2   13 o  456.849   7.3286  1420.62   42.656  1430.60   52.196  1400.55   74.018  459.350   8.3851  454.348   12.022 5.002258 14.65715 
1 1 1   16    2   14 o  464.469   7.4015  1462.38   43.711  1460.78   53.273  1465.69   76.466  464.162   8.4695  464.776   12.141 -0.6143799 14.80293 
1 1 1   16    2   15 o  233.012   4.2197  368.013   13.324  365.030   18.831  371.004   18.855  232.066   5.9879  233.958   5.9470 -1.891968 8.439330 
1 1 1   16    2   16 o  713.562   8.3685  3454.90   80.921  3450.77  114.364  3459.04  114.515  713.135   11.834  713.989   11.836 -0.8540649 16.73693 
1 1 1   16    2   17 o  793.628   9.1728  4274.67   98.643  4223.83  138.470  4327.05  140.558  788.839   12.953  798.416   12.991 -9.576721 18.34552 
1 1 1   16    2   18 o  825.925   11.671  4678.57  124.054  4498.17  209.461  4776.03  153.961  813.141   19.009  838.710   13.546 -25.56952 23.34163 
1 1 1   16    2   19 o  189.350   4.9082  241.225   11.891  248.627   20.687  237.573   14.531  191.486   7.9723  187.214   5.7275 4.271500 9.816365 
1 1 1   16    2   20 o  749.681   10.776  3884.01  104.660  3587.44  172.221  4057.67  131.786  726.261   17.499  773.101   12.579 -46.84003 21.55099 
1 1 1   16    2   21 o  239.888   4.2798  389.802   13.904  410.311   19.943  370.405   19.394  246.024   5.9817  233.752   6.1227 12.27249 8.559677 
1 1 1   16    2   22 o  832.152   11.759  4740.00  125.629  4614.01  213.883  4806.36  155.228  823.138   19.174  841.165   13.618 -18.02710 23.51813 
1 1 1   16    2   23 o  368.742   6.4087  936.950   30.376  874.974   51.017  970.989   37.809  359.073   10.485  378.411   7.3731 -19.33752 12.81747 
1 1 1   16    2   24 f  634.627   7.6193  2730.96   65.493  2645.71   90.871  2823.12   94.475  624.334   10.741  644.920   10.810 -20.58612 15.23864 
1 1 1   16    2   25 o  265.828   4.4428  478.946   16.002  468.825   22.398  489.498   22.869  262.961   6.2854  268.696   6.2807 -5.735443 8.885558 
1 1 1   16    2   26 o  179.447   4.0505  218.249   9.8485  214.007   13.801  222.652   14.058  177.670   5.7321  181.223   5.7245 -3.553284 8.101035 
1 1 1   16    2   27 o  883.804   10.122  5312.75  121.223  5300.65  171.143  5324.94  171.729  882.796   14.306  884.812   14.322 -2.016296 20.24316 
1 1 1   16    2   28 o  273.894   5.4272  506.879   19.073  502.671   23.416  515.175   32.878  272.263   6.3465  275.525   8.8056 -3.261902 10.85431 
1 1 1   16    2   29 o  223.041   5.1220  342.204   14.694  353.267   18.280  322.010   24.699  228.249   5.9101  217.834   8.3672 10.41504 10.24394 
1 1 1   16    2   30 o  334.134   4.9486  756.406   22.389  799.477   32.258  716.371   31.100  343.304   6.9338  324.965   7.0623 18.33969 9.897119 
1 1 1   16    2   31 o  319.363   4.8284  691.857   20.895  688.104   29.366  695.706   29.738  318.487   6.8041  320.239   6.8525 -1.751831 9.656723 
1 1 1   16    2   32 o  316.804   4.8164  680.915   20.676  693.218   29.306  668.723   29.174  319.655   6.7654  313.952   6.8572 5.703827 9.632818 
1 1 1   16    2   33 o  523.741   6.5678  1863.39   46.614  1877.98   66.054  1848.92   65.791  525.786   9.2706  521.697   9.3060 4.088440 13.13564 
1 1 1   16    2   34 o  411.261   5.5698  1147.76   31.033  1124.14   43.284  1172.73   44.517  406.914   7.8495  415.609   7.9042 -8.694794 11.13962 
1 1 1   16    2   35 o  353.241   6.3065  839.018   28.119  824.106   33.910  871.842   50.309  348.439   7.1816  358.043   10.369 -9.603241 12.61295 
1 1 1   16    2   36 o  327.709   6.0780  723.024   25.163  711.621   30.383  747.930   44.900  323.789   6.9244  331.628   9.9911 -7.839355 12.15600 
1 1 1   16    2   37 o  623.981   7.5468  2648.89   63.801  2709.85   91.332  2590.79   89.162  630.987   10.681  616.975   10.664 14.01233 15.09351 
1 1 1   16    2   38 o  302.098   4.7540  619.323   19.456  641.136   27.776  598.310   27.261  307.323   6.6694  296.872   6.7764 10.45038 9.507912 
1 1 1   16    2   39 o  172.647   4.1357  202.111   9.6715  194.131   13.481  210.573   13.883  169.137   5.8818  176.157   5.8155 -7.020111 8.271410 
1 1 1   16    2   40 o  219.599   4.2859  326.751   12.740  306.024   17.646  349.317   18.412  212.333   6.1325  226.865   5.9889 -14.53209 8.571732 
1 1 1   16    2   41 o  474.401   6.1791  1529.00   39.701  1584.40   57.323  1477.92   55.039  482.646   8.7643  466.156   8.7127 16.49008 12.35814 
1 1 1   16    2   42 o  329.101   7.0452  735.769   31.420   0.0000   0.0000  735.769   31.420  ?   ?   329.101   7.0452      ?      ? 
1 1 1   16    2   43 o  208.643   5.2993  299.299   14.157  285.222   24.099  306.716   17.493  204.743   8.6857  212.544   6.0736 -7.800629 10.59859 
1 1 1   16    2   44 o  281.895   4.6687  539.749   17.832  553.806   25.347  525.973   25.091  285.535   6.5506  278.256   6.6542 7.278809 9.337471 
1 1 1   16    2   45 o  229.754   4.3915  358.527   13.670  367.345   19.378  349.791   19.288  232.572   6.1485  226.936   6.2719 5.635712 8.782951 
1 1 1   16    2   46 o  362.021   5.2485  891.128   25.747  905.994   36.541  876.471   36.284  365.025   7.3870  359.016   7.4579 6.008942 10.49705 
1 1 1   16    2   47 o  169.146   4.2837  194.181   9.8146  186.882   13.675  201.935   14.095  165.868   6.0837  172.423   6.0323 -6.554810 8.567360 
1 1 1   16    2   48 o  190.619   5.2477  248.529   12.818  251.446   15.796  242.906   21.932  192.389   6.0587  188.849   8.5700 3.540497 10.49537 
1 1 1   16    2   49 o   99.109   5.8429   67.711   7.3781   69.391   9.0735   64.433   12.676  101.034   6.6271   97.183   9.6250 3.851006 11.68583 
1 1 1   16    2   50 o  135.156   4.4899  124.191   8.2167  125.019   11.415  123.301   11.837  135.632   6.2104  134.679   6.4859 0.9532623 8.979719 
1 1 1   16    2   51 o  179.113   6.2950  218.674   15.271  216.037   21.207  221.515   22.010  178.006   8.7913  180.220   9.0123 -2.214355 12.59000 
1 1 1   16    2   52 o  259.635   4.6669  458.405   16.420  454.653   23.126  462.218   23.317  258.564   6.6001  260.706   6.5999 -2.142273 9.333814 
1 1 1   16    2   53 o  292.102   6.0319  589.043   22.370  603.244   27.415  560.753   38.694  297.775   6.7939  286.429   9.9689 11.34671 12.06388 
1 1 1   16    2   54 o  272.313   4.7410  504.277   17.491  492.800   24.393  516.422   25.093  269.128   6.6883  275.497   6.7213 -6.369232 9.482042 
1 1 1   16    2   55 o  137.655   4.6175  128.817   8.6051  121.006   11.993  137.106   12.354  133.348   6.6366  141.961   6.4219 -8.613495 9.235021 
1 1 1   16    2   56 o  428.535   5.8756  1252.96   34.115  1283.47   48.746  1223.67   47.760  433.653   8.2949  423.418   8.3236 10.23514 11.75113 
1 1 1   16    2   57 o  211.545   4.5208  304.632   12.959  309.261   18.377  300.052   18.278  213.149   6.3622  209.942   6.4245 3.206924 9.041697 
1 1 1   16    2   58 o  108.896   6.0540   78.864   8.3862   87.499   14.989   74.930   10.118  112.964   9.7914  104.828   7.1225 8.135818 12.10791 
1 1 1   16    2   59 o   71.039   8.6725   34.548   8.3488   0.0000   0.0000   34.548   8.3488  ?   ?    71.039   8.6725      ?      ? 
1 1 1   16    2   60 o  167.626   5.5957  196.636   11.966  178.379   20.214  206.484   14.847  161.206   9.2532  174.045   6.2949 -12.83830 11.19136 
1 1 1   16    2   61 o   59.362   7.2791   25.057   5.5778   17.264   7.7597   33.389   8.0232   48.949   11.830   69.775   8.4853 -20.82623 14.55818 
1 1 1   16    2   62 o  261.464   4.7737  467.174   16.914  470.244   23.909  464.099   23.931  262.333   6.7255  260.596   6.7765 1.736420 9.547461 
1 1 1   16    2   63 o   99.733   5.2605   68.197   7.0689   58.968   9.8419   78.032   10.160   92.698   7.8347  106.768   7.0219 -14.06902 10.52090 
1 1 1   16    2   64 o   80.876   5.8604   45.056   6.4168   42.916   9.0888   47.182   9.0605   78.927   8.4976   82.824   8.0726 -3.896751 11.72081 
1 1 1   16    2   65 o   71.502   8.7337   36.436   8.2960   37.619   11.991   35.350   11.490   73.142   12.097   69.862   12.600 3.280052 17.46739 
1 1 1   16    2   66 o  154.355   4.6902  163.375   9.8063  160.125   13.623  166.871   14.127  152.778   6.5802  155.932   6.6854 -3.154160 9.380471 
1 1 1   16    2   67 o   74.649   6.0460   38.695   6.0833   33.802   8.5159   43.794   8.6929   69.728   9.0124   79.570   8.0619 -9.841194 12.09203 
1 1 1   16    2   68 o   92.747   7.1127   64.129   8.0112   70.404   9.7341   50.958   14.103  101.028   7.1100   84.465   12.321 16.56273 14.22549 
1 1 1   16    2   69 o   46.296   9.7171   12.771   6.3830   7.2818   7.6064   25.838   11.736   34.400   12.551   58.191   14.837 -23.79091 19.43413 
1 1 1   16    2   70 o  124.557   4.9115  107.350   8.2889  105.057   11.710  109.653   11.734  123.199   7.0141  125.916   6.8770 -2.717606 9.822934 
1 1 1   16    2   71 o  131.102   4.8553  119.100   8.6243  115.942   12.129  122.328   12.265  129.321   6.9212  132.882   6.8111 -3.560791 9.710510 
1 1 1   16    2   72 o   45.999   8.6208   16.072   5.5043   18.425   7.6730   13.577   7.9004   49.492   11.636   42.506   12.723 6.985886 17.24163 
1 1 1   16    2   73 o   63.404   8.6844   30.395   6.8924   28.991   11.826   31.117   8.4817   60.736   14.558   66.073   9.4728 -5.337132 17.36885 
1 1 1   16    2   74 o  113.466   6.4835   92.580   9.2947   89.404   16.190   94.141   11.352  110.930   10.770  116.003   7.2212 -5.073128 12.96701 
1 1 1   16    2   75 o   53.647   9.2854   23.981   6.7484   15.539   12.011   27.875   8.1578   45.059   15.853   62.234   9.6730 -17.17503 18.57085 
1 1 1   16    2   76 o   48.640   8.6044   18.473   5.7092   15.231   8.2594   21.439   7.9005   44.210   12.953   53.070   11.330 -8.860352 17.20879 
1 1 1   16    2   77 o   76.630   6.4389   42.261   6.6698   38.729   9.3733   45.885   9.4928   73.215   9.4474   80.046   8.7513 -6.831444 12.87784 
1 1 1   16    2   78 o  101.608   5.5850   73.491   7.6662   79.917   10.846   67.074   10.837  106.270   7.5313   96.946   8.2492 9.323502 11.17008 
1 1 1   16    2   79 o   23.110   7.7205  -7.3753   6.0374  -7.5116   7.5228  -7.1287   10.120   20.918   9.9145   25.302   11.838 -4.384247 15.44108 
1 1 1   16    2   80 o  218.135   5.0653  336.780   14.966  324.372   20.828  350.027   21.521  213.958   7.1834  222.312   7.1435 -8.354050 10.13070 
1 1 1   16    2   81 o   62.937   7.8939   30.289   6.5821   33.021   9.5231   27.791   9.1079   66.336   10.594   59.538   11.706 6.798237 15.78783 
1 1 1   16    2   82 o   49.959   9.1107   20.688   6.5982   29.371   9.3381   12.030   9.3245   60.938   11.734   38.980   13.940 21.95759 18.22139 
1 1 1   16    2   83 o   50.772   10.431   23.696   7.7962   26.969   9.6114   17.400   13.330   57.243   12.720   44.300   16.535 12.94328 20.86176 
1 1 1   16    2   84 o   92.252   6.4452   63.655   8.0559   64.670   11.533   62.688   11.257   92.928   9.1583   91.575   9.0714 1.353111 12.89050 
1 1 1   16    2   85 o   66.904   7.9916   35.872   7.0809   38.935   10.236   33.062   9.8056   70.389   10.731   63.419   11.845 6.970093 15.98324 
1 1 1   16    2   86 o   98.173   6.4081   73.403   8.5139   78.636   12.341   68.651   11.761  101.627   8.9614   94.719   9.1623 6.907196 12.81620 
1 1 1   16    3    0 o  920.665   10.508  5742.52  130.961  5505.10  180.187  6008.38  190.672  900.544   14.765  940.786   14.956 -40.24188 21.01636 
1 1 1   16    3    1 o  474.789   6.1129  1527.99   39.325  1557.31   56.119  1499.70   55.123  479.263   8.6408  470.316   8.6489 8.947784 12.22570 
1 1 1   16    3    2 o  904.005   11.961  5596.42  127.474  5457.38  251.497  5644.48  147.877  895.843   20.717  912.166   11.963 -16.32324 23.92266 
1 1 1   16    3    3 o  1477.30   18.950 14973.13  329.972 14678.61  651.634 15074.69  382.659  1465.26   32.818  1489.34   18.960 -24.08423 37.90084 
1 1 1   16    3    4 o  428.438   6.6428  1251.03   33.254  1232.08   66.680  1257.30   38.365  426.187   11.545  430.689   6.5734 -4.502625 13.28565 
1 1 1   16    3    5 o  197.144   4.8054  261.385   10.897  267.341   22.571  259.575   12.443  198.577   8.3877  195.711   4.6919 2.865585 9.610799 
1 1 1   16    3    6 o  525.796   7.6471  1900.26   47.321  1824.10   93.243  1926.69   54.919  518.473   13.271  533.119   7.6018 -14.64545 15.29411 
1 1 1   16    3    7 o  675.231   9.2774  3096.18   73.358  3088.99  147.067  3098.57   84.639  674.460   16.091  676.001   9.2393 -1.540649 18.55473 
1 1 1   16    3    8 o  586.540   8.2542  2304.51   56.093  2390.23  115.347  2277.96   64.195  593.419   14.344  579.660   8.1723 13.75983 16.50849 
1 1 1   16    3    9 o  693.706   9.4387  3263.16   88.730   0.0000   0.0000  3263.16   88.730  ?   ?   693.706   9.4387      ?      ? 
1 1 1   16    3   10 o  428.231   8.0385  1243.24   46.648   0.0000   0.0000  1243.24   46.648  ?   ?   428.231   8.0385      ?      ? 
1 1 1   16    3   11 o  377.727   10.373  967.677   53.098  967.677   53.098   0.0000   0.0000  377.727   10.373  ?   ?       ?      ? 
1 1 1   16    3   12 o  212.593   5.0447  313.673   13.792  282.041   22.885  331.716   17.284  203.958   8.2799  221.228   5.7652 -17.26952 10.08933 
1 1 1   16    3   13 o  718.540   16.803  3507.78  163.611  3507.78  163.611   0.0000   0.0000  718.540   16.803  ?   ?       ?      ? 
1 1 1   16    3   14 o  456.317   5.9198  1411.64   36.604  1392.15   51.397  1431.71   52.143  453.121   8.3703  459.514   8.3736 -6.393066 11.83969 
1 1 1   16    3   15 o  455.981   5.9283  1409.58   36.629  1432.46   52.186  1387.37   51.424  459.628   8.3785  452.335   8.3892 7.293396 11.85656 
1 1 1   16    3   16 o  852.292   9.7737  4932.10  112.883  4924.76  159.429  4939.48  159.855  851.657   13.814  852.927   13.830 -1.270081 19.54747 
1 1 1   16    3   17 o  1076.13   12.105  7866.90  176.457  7667.65  245.237  8080.79  254.094  1062.03   17.040  1090.23   17.199 -28.20251 24.21055 
1 1 1   16    3   18 o  589.898   8.8524  2352.98   66.252  2336.10   80.464  2388.52  116.746  586.818   10.118  592.979   14.528 -6.161743 17.70478 
1 1 1   16    3   19 o  554.063   8.4291  2074.93   59.203  2058.95   71.837  2108.75  104.522  550.926   9.6222  557.201   13.842 -6.274841 16.85819 
1 1 1   16    3   20 o  432.001   5.7183  1265.23   33.470  1295.91   47.784  1235.68   46.898  437.142   8.0663  426.861   8.1074 10.28128 11.43657 
1 1 1   16    3   21 o  301.453   4.6817  616.081   19.123  628.804   27.140  603.536   26.950  304.545   6.5762  298.361   6.6654 6.184235 9.363466 
1 1 1   16    3   22 o  404.556   5.4929  1109.72   30.110  1098.47   42.206  1121.39   42.969  402.468   7.7386  406.643   7.7975 -4.175079 10.98580 
1 1 1   16    3   23 o  686.733   9.8886  3177.44   86.380  3126.51  104.949  3284.41  152.094  678.616   11.412  694.851   16.152 -16.23523 19.77730 
1 1 1   16    3   24 o  117.944   4.6641   91.865   7.2144   85.246   8.9875  103.858   12.097  112.134   5.9145  123.754   7.2135 -11.62008 9.328246 
1 1 1   16    3   25 o  210.695   5.8726  300.970   16.768  300.970   16.768   0.0000   0.0000  210.695   5.8726  ?   ?       ?      ? 
1 1 1   16    3   26 o  650.573   9.5775  2922.16   80.505  2724.54  133.635  3034.74  100.862  632.679   15.587  668.468   11.134 -35.78870 19.15508 
1 1 1   16    3   27 o  644.728   10.928  2823.27   95.481   0.0000   0.0000  2823.27   95.481  ?   ?   644.728   10.928      ?      ? 
1 1 1   16    3   28 o  1074.11   12.124  7865.63  176.444  7756.63  247.077  7979.06  252.056  1066.54   17.095  1081.68   17.196 -15.14355 24.24734 
1 1 1   16    3   29 o  439.348   5.8201  1301.89   34.543  1199.12   46.727  1425.75   51.296  420.348   8.2030  458.348   8.2586 -37.99960 11.64015 
1 1 1   16    3   30 o  161.355   4.0876  175.386   8.8869  150.964   12.084  204.157   13.116  149.198   5.9766  173.513   5.5779 -24.31558 8.175124 
1 1 1   16    3   31 o  453.250   5.9316  1394.58   36.431  1386.51   51.201  1402.86   51.847  451.925   8.3604  454.575   8.4165 -2.649750 11.86313 
1 1 1   16    3   32 o  264.082   4.4906  472.634   16.049  507.889   23.066  439.544   22.346  273.626   6.2205  254.538   6.4783 19.08789 8.981273 
1 1 1   16    3   33 o  212.691   4.2300  305.651   12.166  281.347   16.650  333.493   17.820  203.654   6.0330  221.729   5.9308 -18.07541 8.459997 
1 1 1   16    3   34 o  191.406   4.1570  247.215   10.751  224.223   14.646  274.087   15.833  181.803   5.9446  201.009   5.8125 -19.20644 8.314028 
1 1 1   16    3   35 o  708.598   8.3785  3419.40   80.451  3455.78  114.353  3383.75  113.205  712.331   11.846  704.866   11.852 7.464966 16.75692 
1 1 1   16    3   36 o  490.215   6.2795  1633.28   41.714  1633.42   58.827  1633.14   59.161  490.240   8.8549  490.190   8.9061 0.4980469E-01 12.55896 
1 1 1   16    3   37 o  162.968   4.1167  179.734   9.0777  167.025   12.506  193.884   13.197  156.893   5.8823  169.043   5.7609 -12.14973 8.233435 
1 1 1   16    3   38 o  208.709   6.0763  296.171   17.146  297.172   23.489  295.030   25.086  209.110   8.2891  208.308   8.8867 0.8018646 12.15250 
1 1 1   16    3   39 o  284.833   6.6360  550.643   25.569  531.118   34.926  573.195   37.534  279.424   9.2235  290.241   9.5431 -10.81732 13.27192 
1 1 1   16    3   40 o  203.819   4.2443  282.156   11.706  300.438   16.605  264.091   16.506  210.397   5.8239  197.240   6.1755 13.15765 8.488528 
1 1 1   16    3   41 o  371.466   5.3018  933.442   26.628  867.157   36.269  1010.96   39.221  357.225   7.4922  385.707   7.5037 -28.48163 10.60369 
1 1 1   16    3   42 o  435.459   5.8357  1288.82   34.425  1334.68   49.338  1245.32   48.056  443.010   8.2184  427.908   8.2873 15.10190 11.67135 
1 1 1   16    3   43 f  340.429   5.0703  786.978   23.381  766.251   32.514  809.176   33.647  335.794   7.1451  345.064   7.1956 -9.270172 10.14052 
1 1 1   16    3   44 o  173.211   5.2690  208.735   11.711  188.385   19.536  220.151   14.632  166.365   8.6653  180.058   5.9967 -13.69283 10.53794 
1 1 1   16    3   45 o  324.288   6.0718  720.758   25.297  731.587   31.291  700.326   42.981  328.076   7.0381  320.499   9.8961 7.576599 12.14363 
1 1 1   16    3   46 o  444.066   7.2708  1354.17   41.367  1372.67   51.008  1318.62   70.703  449.047   8.3823  439.085   11.882 9.961914 14.54151 
1 1 1   16    3   47 o  160.419   6.2696  176.278   13.547  195.001   18.944  156.681   19.381  169.243   8.2599  151.596   9.4342 17.64709 12.53916 
1 1 1   16    3   48 o  226.260   5.4002  344.222   15.700  361.255   27.180  335.694   19.232  230.266   8.7104  222.254   6.3856 8.012238 10.80031 
1 1 1   16    3   49 o  391.749   5.5233  1043.82   29.308  1088.31   42.091  1001.96   40.833  399.854   7.7679  383.644   7.8542 16.20987 11.04664 
1 1 1   16    3   50 o  331.641   5.0832  748.137   22.839  771.638   32.537  725.308   32.067  336.786   7.1291  326.497   7.2477 10.28912 10.16631 
1 1 1   16    3   51 o  204.383   4.4630  283.646   12.354  273.350   17.134  294.793   17.828  200.525   6.3055  208.240   6.3178 -7.715454 8.926031 
1 1 1   16    3   52 o  289.440   4.8242  569.819   18.919  564.210   26.489  575.659   27.031  287.992   6.7875  290.888   6.8573 -2.895569 9.648462 
1 1 1   16    3   53 o  206.918   4.4598  291.279   12.496  304.439   17.685  278.155   17.660  211.605   6.1672  202.232   6.4441 9.372650 8.919678 
1 1 1   16    3   54 o  106.164   4.9232   76.892   7.0660   81.916   9.9110   71.699   10.077  109.719   6.6658  102.610   7.2469 7.109673 9.846314 
1 1 1   16    3   55 o  270.062   5.9217  497.881   20.210  498.155   24.513  497.301   35.713  270.528   6.6865  269.597   9.7752 0.9308167 11.84332 
1 1 1   16    3   56 o  236.380   4.6303  380.001   14.824  368.082   20.563  392.899   21.391  232.529   6.5257  240.232   6.5708 -7.703445 9.260660 
1 1 1   16    3   57 o  240.864   5.5813  387.976   17.255  420.964   30.150  371.909   21.042  248.062   8.9690  233.665   6.6453 14.39658 11.16252 
1 1 1   16    3   58 o  160.434   6.4595  175.358   14.044   0.0000   0.0000  175.358   14.044  ?   ?   160.434   6.4595      ?      ? 
1 1 1   16    3   59 o  265.662   4.7544  481.328   17.115  479.586   24.064  483.111   24.348  265.183   6.6963  266.142   6.7511 -0.9584961 9.508875 
1 1 1   16    3   60 o  243.983   5.6712  396.683   17.635  439.275   31.385  377.031   21.319  252.919   9.1572  235.046   6.6930 17.87340 11.34241 
1 1 1   16    3   61 o   68.502   7.8940   33.001   6.7747   32.975   11.516   33.014   8.3778   67.691   13.027   69.313   8.9193 -1.622459 15.78806 
1 1 1   16    3   62 o  251.803   5.7378  437.842   18.516  443.553   22.843  426.903   31.618  254.754   6.6169  248.852   9.3758 5.902603 11.47561 
1 1 1   16    3   63 o  181.466   8.8937  227.006   21.870   0.0000   0.0000  227.006   21.870  ?   ?   181.466   8.8937      ?      ? 
1 1 1   16    3   64 o  122.290   4.8155  102.454   7.9725   96.461   11.170  108.676   11.383  118.617   6.9489  125.962   6.6684 -7.344604 9.630946 
1 1 1   16    3   65 o  161.307   4.5844  178.325   10.020  181.986   14.203  174.699   14.138  162.970   6.4313  159.645   6.5349 3.324936 9.168797 
1 1 1   16    3   66 o  158.964   6.4693  173.395   13.936  173.395   13.936   0.0000   0.0000  158.964   6.4693  ?   ?       ?      ? 
1 1 1   16    3   67 o  135.209   4.7237  125.739   8.6550  126.349   12.225  125.126   12.255  135.545   6.6553  134.873   6.7053 0.6722717 9.447446 
1 1 1   16    3   68 o   78.800   7.8824   47.388   7.4761   35.886   12.403   53.952   9.3694   69.376   13.679   88.224   7.8369 -18.84772 15.76483 
1 1 1   16    3   69 o   81.455   6.7756   43.716   7.1771   36.791   8.7683   57.774   12.493   72.499   8.9248   90.410   10.197 -17.91061 13.55120 
1 1 1   16    3   70 o   35.454   9.3193   2.5868   5.8975  -2.7333   6.8959   17.073   11.379   23.232   10.451   47.677   15.433 -24.44479 18.63851 
1 1 1   16    3   71 o  139.512   5.9957  133.973   10.526  129.507   12.636  144.097   19.025  136.652   6.8236  142.373   9.8607 -5.720978 11.99146 
1 1 1   16    3   72 o   85.802   6.7354   48.938   7.4715   64.493   13.207   41.616   9.0610   94.830   10.277   76.775   8.7091 18.05420 13.47080 
1 1 1   16    3   73 o   77.955   7.3682   43.849   7.3872   43.814   12.537   43.867   9.1428   77.161   11.990   78.750   8.5674 -1.589180 14.73646 
1 1 1   16    3   74 o   32.717   8.6393   6.6390   5.1631   7.5544   7.1732   5.6550   7.4375   33.743   12.207   31.692   12.228 2.051580 17.27853 
1 1 1   16    3   75 o   98.559   6.9056   71.869   8.6474   64.144   14.528   76.108   10.761   93.183   11.505  103.935   7.6404 -10.75242 13.81113 
1 1 1   16    3   76 o   51.687   7.9063   20.122   5.8377   8.2114   8.0067   33.638   8.5296   34.971   12.859   68.404   9.2017 -33.43249 15.81253 
1 1 1   16    3   77 o   89.481   6.8493   56.303   7.9386   52.176   9.7413   64.464   13.698   85.486   8.4089   93.476   10.814 -7.989731 13.69851 
1 1 1   16    3   78 o   71.319   6.6524   36.908   6.4261   35.528   9.0636   38.304   9.1122   69.896   9.5690   72.741   9.2440 -2.845329 13.30479 
1 1 1   16    3   79 f  101.469   5.7119   73.649   7.8523   72.962   11.189   74.315   11.023  100.935   8.1801  102.003   7.9743 -1.068184 11.42381 
1 1 1   16    3   80 o   48.447   9.1590   19.111   6.1822   16.336   8.9802   21.612   8.5236   44.761   13.602   52.133   12.269 -7.371964 18.31806 
1 1 1   16    3   81 o   92.457   6.1456   62.488   7.6522   55.423   10.878   69.408   10.766   86.841   9.2439   98.074   8.1009 -11.23262 12.29120 
1 1 1   16    3   82 o   51.750   9.2236   22.195   6.4735   20.855   9.1516   23.538   9.1582   49.976   13.285   53.525   12.799 -3.548283 18.44723 
1 1 1   16    3   83 o   75.982   7.3165   44.021   7.5279   41.861   10.461   46.340   10.841   73.978   10.435   77.985   10.258 -4.006310 14.63297 
1 1 1   16    3   84 o  100.511   7.6739   75.576   9.8344   69.136   11.868   89.690   17.570   95.932   9.1288  105.090   12.338 -9.157394 15.34784 
1 1 1   16    3   85 o   54.931   9.2108   30.460   8.3359   6.5168   13.909   43.881   10.413   34.873   15.308   74.989   10.247 -40.11578 18.42158 
1 1 1   16    3   86 o   34.105   8.9696   6.7537   7.2567 -13.7347   12.124   18.192   9.0586   23.775   11.592   44.436   13.691 -20.66091 17.93918 
1 1 1   16    4    0 o  823.249   9.4916  4598.12  105.878  4535.98  148.376  4662.60  151.131  817.585   13.392  828.912   13.454 -11.32739 18.98330 
1 1 1   16    4    1 o  431.499   5.7277  1262.06   33.489  1246.99   46.970  1277.64   47.760  428.880   8.0818  434.118   8.1185 -5.237427 11.45534 
1 1 1   16    4    2 o  764.419   8.9052  3963.67   92.237  4024.00  131.691  3905.57  129.231  770.126   12.619  758.712   12.569 11.41388 17.81047 
1 1 1   16    4    4 o  799.402   11.341  4342.11  115.466  4331.60  201.090  4347.28  141.033  798.380   18.587  800.424   13.002 -2.043213 22.68294 
1 1 1   16    4    5 o  437.023   6.7320  1301.50   34.300  1282.51   69.012  1307.73   39.527  434.808   11.712  439.238   6.6407 -4.430298 13.46399 
1 1 1   16    4    6 o  330.364   5.7142  728.928   21.690  760.698   45.219  719.434   24.719  334.921   9.9631  325.807   5.5986 9.114258 11.42840 
1 1 1   16    4    7 o  600.327   8.4851  2472.32   59.967  2389.76  118.316  2500.86   69.564  593.315   14.716  607.339   8.4522 -14.02429 16.97019 
1 1 1   16    4    8 o  856.092   11.376  4974.48  114.000  4983.28  228.892  4971.58  131.466  856.093   19.730  856.091   11.332 0.2197266E-02 22.75276 
1 1 1   16    4    9 o  511.720   7.9551  1810.59   52.153  1667.63   87.844  1888.41   64.812  495.715   13.077  527.725   9.0629 -32.01035 15.91024 
1 1 1   16    4   10 o  930.155   12.276  5944.12  135.006  5745.13  264.538  6014.19  156.990  918.852   21.245  941.457   12.305 -22.60486 24.55143 
1 1 1   16    4   11 o  571.028   8.1227  2208.58   54.125  2219.39  109.280  2205.07   62.303  571.765   14.104  570.291   8.0618 1.473877 16.24544 
1 1 1   16    4   12 o  268.031   5.5119  479.127   18.597  508.376   33.611  466.221   22.326  273.801   9.0588  262.260   6.2821 11.54056 11.02385 
1 1 1   16    4   13 o  310.545   4.7453  652.215   19.943  699.834   28.953  609.224   27.510  321.307   6.6496  299.783   6.7718 21.52377 9.490695 
1 1 1   16    4   14 o  1079.11   12.139  7914.33  177.493  8021.27  253.178  7810.97  248.902  1086.28   17.199  1071.95   17.134 14.32129 24.27746 
1 1 1   16    4   15 o  979.849   11.102  6523.42  147.414  6572.75  209.440  6474.99  207.523  983.517   15.714  976.181   15.687 7.336548 22.20441 
1 1 1   16    4   16 o  505.749   7.6927  1690.47   49.192  1615.66   59.067  1859.82   88.864  488.079   8.9305  523.420   12.528 -35.34042 15.38550 
1 1 1   16    4   17 o  567.637   8.4458  2188.92   61.516  2192.73   75.715  2181.52  105.513  568.528   9.8276  566.746   13.738 1.782471 16.89157 
1 1 1   16    4   18 o  265.086   5.2162  463.418   17.772  437.538   21.637  517.080   31.157  254.049   6.2849  276.123   8.3266 -22.07382 10.43231 
1 1 1   16    4   19 f  366.511   5.1854  910.727   25.751  903.443   36.085  918.286   36.760  365.019   7.2951  368.003   7.3713 -2.983429 10.37084 
1 1 1   16    4   20 o  513.591   6.4549  1789.32   44.924  1783.42   63.237  1795.33   63.831  512.739   9.1011  514.444   9.1561 -1.705322 12.90983 
1 1 1   16    4   21 o  511.516   6.4392  1774.41   44.625  1744.40   62.340  1805.95   63.909  507.084   9.0721  515.947   9.1405 -8.863129 12.87834 
1 1 1   16    4   22 o  618.498   9.2188  2595.44   72.410  2588.90   88.126  2609.03  127.040  617.590   10.530  619.407   15.135 -1.817322 18.43763 
1 1 1   16    4   23 o  868.820   12.281  5139.18  135.874  5136.34  165.900  5144.97  236.804  869.209   14.084  868.431   20.122 0.7785034 24.56150 
1 1 1   16    4   24 o  504.857   6.3910  1729.56   43.723  1731.23   61.678  1727.87   61.991  505.104   9.0109  504.609   9.0655 0.4950867 12.78203 
1 1 1   16    4   25 o  526.828   6.5983  1877.13   47.024  2014.48   68.909  1757.43   64.332  544.800   9.3337  508.856   9.3293 35.94449 13.19669 
1 1 1   16    4   26 o  507.013   6.4213  1739.79   44.056  1857.17   64.295  1635.91   60.487  523.088   9.0703  490.938   9.0919 32.15012 12.84260 
1 1 1   16    4   27 o  252.269   4.4049  431.290   15.037  463.988   21.564  400.343   20.980  261.574   6.0836  242.963   6.3720 18.61143 8.809797 
1 1 1   16    4   28 o  266.887   4.5085  482.033   16.269  530.245   23.568  438.147   22.486  279.613   6.2198  254.161   6.5285 25.45229 9.017059 
1 1 1   16    4   29 o  523.148   8.1087  1887.64   54.685  1771.04   91.380  1952.69   68.256  510.084   13.220  536.211   9.3934 -26.12787 16.21734 
1 1 1   16    4   30 o  478.861   6.1627  1557.08   39.990  1566.49   56.517  1547.65   56.593  480.313   8.6830  477.409   8.7476 2.903900 12.32543 
1 1 1   16    4   31 o  464.565   6.0410  1463.95   38.009  1528.32   54.770  1404.15   52.791  474.408   8.5194  454.722   8.5670 19.68613 12.08195 
1 1 1   16    4   32 o  267.817   4.4985  486.389   16.321  477.159   22.737  496.202   23.443  265.199   6.3266  270.435   6.3968 -5.236115 8.996973 
1 1 1   16    4   33 o  145.199   4.0822  142.659   8.0214  133.357   11.053  153.012   11.660  140.209   5.8171  150.189   5.7288 -9.979767 8.164392 
1 1 1   16    4   34 o  225.865   5.1681  344.203   15.080  353.403   25.685  339.364   18.628  228.088   8.3100  223.641   6.1465 4.446609 10.33612 
1 1 1   16    4   35 o  512.362   7.9319  1790.82   52.173  1777.19   89.270  1797.89   64.297  510.469   12.905  514.255   9.2263 -3.785675 15.86373 
1 1 1   16    4   36 o  250.562   4.4406  425.493   15.066  411.386   20.806  441.041   21.844  246.205   6.2362  254.919   6.3234 -8.713593 8.881179 
1 1 1   16    4   37 o  300.261   4.7541  612.019   19.332  641.922   27.539  582.967   27.145  307.501   6.6088  293.021   6.8360 14.48038 9.508299 
1 1 1   16    4   38 o  306.657   4.7997  637.492   19.927  614.816   27.458  662.723   28.964  300.911   6.7335  312.404   6.8416 -11.49307 9.599319 
1 1 1   16    4   39 o  269.109   4.5594  490.360   16.604  465.395   22.768  518.718   24.266  261.815   6.4172  276.402   6.4785 -14.58676 9.118730 
1 1 1   16    4   40 o  176.320   5.3030  209.386   11.571  206.713   13.752  215.863   21.410  174.513   5.8153  178.126   8.8695 -3.613907 10.60596 
1 1 1   16    4   41 o  333.309   6.3028  751.165   26.274  743.526   31.501  768.623   47.624  330.816   7.0269  335.802   10.465 -4.986664 12.60567 
1 1 1   16    4   42 o  449.404   7.2821  1380.16   41.857  1387.10   51.403  1366.49   72.110  451.542   8.4005  447.265   11.897 4.276947 14.56415 
1 1 1   16    4   43 o  342.345   7.3513  797.238   34.044  766.485   46.485  832.813   49.997  335.278   10.231  349.413   10.559 -14.13419 14.70265 
1 1 1   16    4   44 o  173.245   5.3993  212.329   11.945  176.947   19.616  233.184   15.059  161.189   8.9801  185.301   5.9972 -24.11150 10.79855 
1 1 1   16    4   45 o   94.690   4.7264   60.915   6.0497   60.677   8.2610   61.189   8.8839   94.501   6.4508   94.879   6.9095 -0.3785172 9.452783 
1 1 1   16    4   46 o  300.858   5.9702  625.453   23.131  586.112   38.717  647.291   28.845  293.145   9.7463  308.571   6.8982 -15.42584 11.94048 
1 1 1   16    4   47 o  134.194   4.4533  122.683   8.0471  140.058   11.474  105.867   11.288  143.591   5.8969  124.796   6.6750 18.79511 8.906646 
1 1 1   16    4   48 o  209.322   4.4034  297.824   12.487  301.757   17.535  293.778   17.787  210.732   6.1403  207.911   6.3133 2.821747 8.806831 
1 1 1   16    4   49 o  106.562   4.7835   77.883   6.8328   90.075   9.5963   65.347   9.7311  115.127   6.1510   97.998   7.3277 17.12909 9.567094 
1 1 1   16    4   50 o  113.825   4.7619   88.511   7.3066   97.712   10.251   79.009   10.417  119.891   6.3095  107.759   7.1338 12.13201 9.523702 
1 1 1   16    4   51 o  214.296   4.4356  312.030   12.877  305.425   17.927  319.070   18.507  211.958   6.2414  216.634   6.3042 -4.675476 8.871177 
1 1 1   16    4   52 o  120.637   6.5763   98.993   10.751   0.0000   0.0000   98.993   10.751  ?   ?   120.637   6.5763      ?      ? 
1 1 1   16    4   53 o  259.250   4.6720  457.307   16.413  459.266   23.108  455.313   23.315  259.817   6.5632  258.682   6.6510 1.134949 9.344083 
1 1 1   16    4   54 o  305.505   5.9784  627.256   23.436  667.024   40.800  607.674   28.630  312.291   9.6408  298.718   7.0726 13.57303 11.95690 
1 1 1   16    4   55 o  404.725   5.7067  1116.36   31.278  1171.58   45.095  1065.15   43.420  414.374   8.0307  395.077   8.1101 19.29681 11.41338 
1 1 1   16    4   56 o  241.416   4.6528  397.059   15.216  407.234   21.432  386.719   21.606  244.556   6.4670  238.275   6.6913 6.280884 9.305662 
1 1 1   16    4   57 o  319.516   6.3348  696.294   25.526  691.824   30.857  705.984   45.434  318.491   7.1494  320.541   10.460 -2.050293 12.66955 
1 1 1   16    4   58 o  164.400   4.5261  184.019   10.079  178.097   14.000  190.391   14.521  161.658   6.3905  167.141   6.4112 -5.483109 9.052177 
1 1 1   16    4   59 o  246.837   4.6867  415.706   15.673  417.049   21.941  414.306   22.396  247.264   6.5480  246.409   6.7070 0.8551025 9.373363 
1 1 1   16    4   60 o  110.355   5.8978   85.851   8.3344   91.551   10.435   75.808   13.851  115.796   6.6497  104.914   9.7424 10.88246 11.79550 
1 1 1   16    4   61 o  131.925   4.7259  118.900   8.4287  130.260   12.081  108.127   11.765  138.100   6.4557  125.750   6.9038 12.35002 9.451885 
1 1 1   16    4   62 o  204.436   5.5941  279.381   14.566  309.172   25.948  265.674   17.600  211.770   9.0418  197.103   6.5894 14.66667 11.18816 
1 1 1   16    4   63 o   67.783   6.3598   31.699   5.8390   32.754   8.4137   30.719   8.1098   68.867   9.0156   66.699   8.9725 2.168091 12.71953 
1 1 1   16    4   64 o  135.103   4.6656  125.097   8.5418  125.274   12.053  124.918   12.107  135.203   6.5784  135.002   6.6178 0.2012939 9.331220 
1 1 1   16    4   65 o  144.291   4.6511  142.858   9.0923  147.013   12.910  138.770   12.807  146.391   6.5077  142.190   6.6468 4.201324 9.302157 
1 1 1   16    4   66 o  157.894   4.6170  171.281   9.8784  172.594   13.943  169.958   13.998  158.514   6.4907  157.274   6.5678 1.240677 9.233912 
1 1 1   16    4   67 o   52.242   7.7294   20.247   5.4751   10.930   7.7435   29.562   7.7425   39.333   12.731   65.151   8.7696 -25.81817 15.45890 
1 1 1   16    4   68 o  236.530   4.7653  385.865   15.269  400.396   21.783  371.828   21.409  240.949   6.6713  232.111   6.8064 8.838028 9.530657 
1 1 1   16    4   69 o   76.984   5.9950   41.500   6.2432   39.866   8.9732   43.032   8.6919   75.428   8.7788   78.540   8.1665 -3.112526 11.98999 
1 1 1   16    4   70 o   67.430   8.1042   33.385   6.8143   32.704   11.605   33.743   8.4184   65.641   13.497   69.219   8.9747 -3.578697 16.20838 
1 1 1   16    4   71 o   45.850   9.4481   16.224   6.1908   14.164   10.069   17.476   7.8500   43.653   14.538   48.048   12.072 -4.394718 18.89618 
1 1 1   16    4   72 o   82.228   8.2576   47.633   9.2014   47.633   9.2014   0.0000   0.0000   82.228   8.2576  ?   ?       ?      ? 
1 1 1   16    4   73 o   93.265   5.5968   61.507   7.0392   66.576   9.8060   56.118   10.111   97.458   7.4249   89.072   8.3767 8.385948 11.19365 
1 1 1   16    4   74 o   43.917   7.5184   14.032   5.3780   25.583   7.5041   1.8331   7.7115   59.760   9.2662   28.074   11.842 31.68630 15.03675 
1 1 1   16    4   75 o   69.584   8.1018   36.479   7.0444   37.090   8.7582   35.361   11.856   71.966   8.9806   67.202   13.487 4.764214 16.20364 
1 1 1   16    4   76 o   42.553   8.9473   13.803   5.7846   8.6329   8.0752   19.253   8.2905   35.455   12.933   49.652   12.368 -14.19757 17.89462 
1 1 1   16    4   77 o  164.540   6.0559  195.212   12.760  189.701   21.691  198.129   15.779  161.215   9.9286  167.866   6.9366 -6.650986 12.11173 
1 1 1   16    4   78 o  106.017   5.5479   79.875   7.9570   73.729   11.010   86.595   11.513  101.660   7.9917  110.374   7.6973 -8.714050 11.09575 
1 1 1   16    4   79 o   41.456   9.0590   13.347   5.9715   7.2454   8.5081   19.270   8.3834   33.797   13.068   49.114   12.550 -15.31666 18.11803 
1 1 1   16    4   80 o   33.404   9.1137   7.1559   5.8529   8.5240   8.4595   5.8997   8.1063   34.952   13.147   31.856   12.625 3.095772 18.22730 
1 1 1   16    4   81 o   45.256   9.4725   17.069   6.2653   14.950   9.0216   19.044   8.7078   42.489   13.740   48.024   13.043 -5.535286 18.94495 
1 1 1   16    4   82 o   85.411   6.5892   54.160   7.6145   58.422   11.069   50.331   10.491   88.680   9.2108   82.141   9.4250 6.539200 13.17838 
1 1 1   16    4   83 o   76.931   9.4141   50.847   8.7854   43.340   14.930   54.823   10.866   68.490   16.318   85.372   9.3921 -16.88224 18.82813 
1 1 1   16    4   84 o   25.827   8.4690  -4.9048   6.6365   2.3930   11.370  -8.6756   8.1731   30.836   13.675   20.819   9.9946 10.01725 16.93794 
1 1 1   16    4   85 o   87.807   9.3046   70.621   9.4064   48.461   15.628   83.209   11.779   70.138   16.685  105.476   8.2408 -35.33765 18.60929 
1 1 1   16    4   86 o   40.434   11.420   16.528   9.4445   16.603   12.931   16.441   13.827   40.560   15.986   40.308   16.312 0.2521248 22.83923 
1 1 1   16    5    0 o  297.566   4.7008  599.737   18.947  625.509   27.184  575.388   26.422  303.779   6.6034  291.353   6.6922 12.42609 9.401609 
1 1 1   16    5    1 o  306.738   4.7433  637.507   19.713  622.634   27.566  653.074   28.201  303.078   6.7117  310.398   6.7044 -7.320251 9.486608 
1 1 1   16    5    2 f  300.314   6.6589  611.328   27.099   0.0000   0.0000  611.328   27.099  ?   ?   300.314   6.6589      ?      ? 
1 1 1   16    5    3 o  963.563   13.460  6233.50  164.042  6527.53  292.890  6099.10  198.013  979.377   22.068  947.749   15.418 31.62805 26.92062 
1 1 1   16    5    4 o  244.575   6.1039  404.546   20.103  414.501   30.335  396.750   26.844  247.243   9.0540  241.908   8.1887 5.335419 12.20778 
1 1 1   16    5    5 o  430.754   11.649  1258.81   67.997  1258.81   67.997   0.0000   0.0000  430.754   11.649  ?   ?       ?      ? 
1 1 1   16    5    6 o  356.197   10.481  860.573   50.591  860.573   50.591   0.0000   0.0000  356.197   10.481  ?   ?       ?      ? 
1 1 1   16    5    9 o  493.190   12.736  1650.86   85.122  1650.86   85.122   0.0000   0.0000  493.190   12.736  ?   ?       ?      ? 
1 1 1   16    5   10 o  305.384   9.7312  632.536   40.271  632.536   40.271   0.0000   0.0000  305.384   9.7312  ?   ?       ?      ? 
1 1 1   16    5   11 o  501.466   9.1449  1707.07   62.142  1723.83   87.862  1690.31   87.903  503.933   12.866  498.999   12.999 4.933350 18.28989 
1 1 1   16    5   12 o  761.590   12.655  3940.20  130.523  3821.58  180.772  4069.38  188.656  749.645   17.795  773.535   17.997 -23.89014 25.30927 
1 1 1   16    5   13 o  443.281   8.4213  1333.66   50.583  1355.81   71.695  1311.69   71.377  446.951   11.837  439.610   11.981 7.341461 16.84260 
1 1 1   16    5   14 o  279.434   6.7331  529.825   25.476  556.641   36.146  503.356   35.911  286.468   9.3112  272.399   9.7284 14.06937 13.46622 
1 1 1   16    5   15 o  267.538   6.6353  484.609   24.029  466.773   33.025  504.672   35.026  262.321   9.2903  272.756   9.4762 -10.43524 13.27061 
1 1 1   16    5   16 o  778.161   11.134  4129.92  110.990  4075.72  190.504  4157.77  136.561  773.852   18.166  782.469   12.879 -8.617004 22.26826 
1 1 1   16    5   17 o  669.816   7.9701  3044.09   72.327  2989.77  100.960  3101.36  103.666  663.685   11.225  675.948   11.317 -12.26288 15.94024 
1 1 1   16    5   18 o  461.197   5.9833  1441.41   37.377  1400.09   51.899  1485.93   53.874  454.338   8.4293  468.056   8.4937 -13.71811 11.96651 
1 1 1   16    5   19 o  418.103   5.6074  1185.45   31.767  1209.82   45.168  1161.61   44.687  422.355   7.8917  413.851   7.9681 8.504028 11.21473 
1 1 1   16    5   20 o  535.571   6.6727  1944.30   48.404  2021.43   69.734  1872.59   67.241  545.811   9.4280  525.332   9.4453 20.47943 13.34547 
1 1 1   16    5   21 o  942.930   10.736  6047.62  137.173  6106.75  195.046  5989.75  192.953  947.488   15.191  938.372   15.174 9.116394 21.47102 
1 1 1   16    5   22 o  361.871   5.1542  888.042   25.273  882.020   35.433  894.279   36.058  360.624   7.2504  363.118   7.3277 -2.493805 10.30847 
1 1 1   16    5   23 o  293.211   4.6698  582.373   18.531  625.393   26.655  542.126   25.781  303.685   6.4769  282.737   6.7289 20.94800 9.339603 
1 1 1   16    5   24 o  354.532   5.1190  845.636   24.493  765.583   32.966  944.279   36.594  335.955   7.2411  373.109   7.2376 -37.15369 10.23802 
1 1 1   16    5   25 o  260.167   5.5994  447.914   18.032  432.293   21.327  487.080   33.771  252.478   6.2334  267.856   9.3036 -15.37842 11.19881 
1 1 1   16    5   26 o  430.933   7.1258  1253.89   38.705  1241.24   46.703  1281.64   69.163  427.672   8.0585  434.194   11.755 -6.521973 14.25162 
1 1 1   16    5   27 o  200.810   4.1591  273.615   11.311  279.005   15.832  267.994   16.167  202.835   5.7598  198.785   6.0014 4.050156 8.318245 
1 1 1   16    5   28 o  265.214   4.4938  477.119   16.136  504.847   22.988  450.188   22.655  272.816   6.2180  257.612   6.4896 15.20401 8.987641 
1 1 1   16    5   29 o  112.835   4.9226   86.454   7.3289   86.114   11.782   86.668   9.3601  112.635   7.7193  113.035   6.1106 -0.3995361 9.845175 
1 1 1   16    5   30 o  152.869   4.9075  160.311   9.7978  151.897   15.948  165.411   12.418  149.579   7.8678  156.159   5.8680 -6.580368 9.815023 
1 1 1   16    5   31 o  159.616   5.9201  172.831   12.805   0.0000   0.0000  172.831   12.805  ?   ?   159.616   5.9201      ?      ? 
1 1 1   16    5   32 o  666.503   9.7966  3036.97   83.547  3012.07  143.864  3049.64  102.627  663.671   15.996  669.335   11.314 -5.663696 19.59321 
1 1 1   16    5   33 o  456.656   5.9931  1416.90   37.086  1421.16   52.233  1412.57   52.663  457.354   8.4278  455.957   8.5231 1.397095 11.98629 
1 1 1   16    5   34 o  544.898   6.8012  2017.75   50.197  1968.19   69.696  2071.16   72.357  537.963   9.5603  551.832   9.6759 -13.86902 13.60230 
1 1 1   16    5   35 o  696.428   8.2787  3302.55   78.095  3419.94  112.455  3193.20  108.534  708.368   11.715  684.488   11.701 23.88000 16.55741 
1 1 1   16    5   36 o  446.886   5.9177  1354.23   35.791  1293.06   49.135  1423.39   52.241  436.169   8.3129  457.603   8.4245 -21.43387 11.83534 
1 1 1   16    5   37 o  218.948   4.3165  325.217   12.796  321.379   17.689  329.431   18.534  217.600   5.9986  220.296   6.2084 -2.695908 8.632902 
1 1 1   16    5   38 o  164.682   4.9887  184.300   10.508  184.469   12.888  183.964   18.147  164.863   5.7689  164.501   8.1405 0.3617554 9.977384 
1 1 1   16    5   39 o  322.785   9.8370  709.572   43.029  709.572   43.029   0.0000   0.0000  322.785   9.8370  ?   ?       ?      ? 
1 1 1   16    5   40 o  398.844   6.7838  1081.06   34.632  1090.42   59.859  1076.35   42.459  399.807   11.048  397.881   7.8747 1.926300 13.56752 
1 1 1   16    5   41 o   69.920   5.2951   33.348   4.9778   34.230   6.6874   32.251   7.4544   70.977   6.9527   68.863   7.9881 2.113914 10.59010 
1 1 1   16    5   42 o  195.176   5.4829  260.747   13.165  263.135   15.668  255.014   24.282  196.858   5.8733  193.494   9.2604 3.364746 10.96587 
1 1 1   16    5   43 o  100.252   6.0330   67.457   7.1819   66.449   8.3156   70.418   14.248   98.908   6.2041  101.596   10.349 -2.688240 12.06595 
1 1 1   16    5   44 o  259.523   4.5566  457.553   16.018  455.074   22.299  460.197   23.025  258.806   6.3580  260.240   6.5290 -1.433563 9.113292 
1 1 1   16    5   45 f  206.182   4.3667  289.096   12.165  317.622   17.327  261.369   17.082  216.245   5.9128  196.120   6.4275 20.12521 8.733490 
1 1 1   16    5   46 o  431.813   5.8512  1269.40   34.232  1304.62   48.832  1235.37   48.003  437.712   8.2326  425.914   8.3169 11.79730 11.70236 
1 1 1   16    5   47 o  266.717   4.6476  482.820   16.784  463.352   23.179  504.283   24.337  261.076   6.5515  272.358   6.5939 -11.28152 9.295269 
1 1 1   16    5   48 o   80.729   6.4469   42.214   6.7510   52.216   11.777   37.319   8.2390   87.442   9.9388   74.016   8.2142 13.42622 12.89389 
1 1 1   16    5   49 o  144.326   4.4609  141.795   8.7119  149.172   12.244  134.232   12.398  148.149   6.0988  140.504   6.5117 7.644730 8.921778 
1 1 1   16    5   50 o  204.350   5.3090  282.480   14.010  290.379   23.884  278.336   17.299  206.368   8.5404  202.331   6.3091 4.036804 10.61807 
1 1 1   16    5   51 o  180.412   5.2631  219.936   12.293  227.394   20.870  215.974   15.212  182.608   8.4338  178.216   6.2986 4.392410 10.52618 
1 1 1   16    5   52 o  152.684   4.3987  158.641   9.0947  164.725   12.819  152.476   12.905  155.646   6.0777  149.722   6.3605 5.923813 8.797357 
1 1 1   16    5   53 o   65.554   6.1875   29.462   5.4732   31.167   7.5518   27.575   7.9435   67.589   8.2450   63.520   9.2283 4.069115 12.37503 
1 1 1   16    5   54 o  269.957   4.7596  496.376   17.404  513.493   24.616  479.265   24.611  274.636   6.6141  265.279   6.8462 9.356110 9.519283 
1 1 1   16    5   55 o  228.322   4.5752  355.103   14.146  370.707   20.029  339.571   19.983  233.353   6.3339  223.292   6.6039 10.06041 9.150347 
1 1 1   16    5   56 o  118.675   4.8833   96.486   7.8115  105.877   10.915   86.626   11.184  124.669   6.4606  112.681   7.3245 11.98811 9.766663 
1 1 1   16    5   57 o   88.879   6.7088   56.848   7.5034   62.691   9.3534   46.298   12.568   95.837   7.2020   81.920   11.321 13.91713 13.41764 
1 1 1   16    5   58 o  260.568   4.7906  463.382   16.884  501.630   24.108  426.563   23.653  271.180   6.5602  249.956   6.9830 21.22377 9.581194 
1 1 1   16    5   59 o   85.072   7.8872   54.310   7.7528   59.543   9.3138   42.503   13.990   93.306   7.3660   76.839   13.949 16.46721 15.77447 
1 1 1   16    5   60 o  116.533   4.8594   92.802   7.6715   89.676   10.731   96.069   10.971  114.521   6.9149  118.546   6.8292 -4.024910 9.718757 
1 1 1   16    5   61 o  183.497   4.6019  230.072   11.418  251.379   16.380  209.934   15.924  191.808   6.3020  175.187   6.7077 16.62083 9.203717 
1 1 1   16    5   62 o   93.101   5.3520   59.567   6.7423   55.724   9.5146   63.444   9.5557   90.044   7.7974   96.158   7.3332 -6.113686 10.70400 
1 1 1   16    5   63 o  133.057   5.9447  125.383   9.9849  112.811   17.149  131.831   12.281  127.399   9.9333  138.714   6.5334 -11.31558 11.88933 
1 1 1   16    5   64 o   71.246   7.4382   32.798   6.8284   44.789   12.197   27.323   8.2410   79.841   11.273   62.650   9.7067 17.19114 14.87630 
1 1 1   16    5   65 o   64.591   6.5518   29.130   5.7112   26.231   8.0920   32.006   8.0619   61.289   9.7430   67.893   8.7625 -6.604404 13.10369 
1 1 1   16    5   66 o   41.504   8.5352   12.581   5.0875   12.177   7.4114   12.941   6.9962   40.974   12.336   42.034   11.799 -1.060261 17.07043 
1 1 1   16    5   67 o   77.077   7.9890   46.595   7.2180   32.623   12.212   54.096   8.9481   65.772   14.124   88.381   7.4711 -22.60941 15.97794 
1 1 1   16    5   68 o  170.550   4.6740  200.824   10.798  201.749   15.511  199.954   15.041  170.888   6.6981  170.212   6.5207 0.6764374 9.347947 
1 1 1   16    5   69 o   46.242   8.3762   16.022   5.2781   17.123   7.5118   14.948   7.4179   47.827   11.689   44.658   12.000 3.169422 16.75245 
1 1 1   16    5   70 o   45.247   8.2337   15.332   5.3733   8.4958   7.5601   22.311   7.6385   35.529   12.569   54.965   10.640 -19.43649 16.46737 
1 1 1   16    5   71 o  132.323   4.8426  121.828   8.6826  124.303   12.326  119.390   12.233  133.680   6.8040  130.966   6.8927 2.713440 9.685208 
1 1 1   16    5   72 o  101.132   6.3322   74.144   8.2349   77.851   10.331   67.683   13.638  105.501   7.2259   96.763   10.401 8.738358 12.66447 
1 1 1   16    5   73 o   63.591   8.6974   32.245   6.8524   35.837   8.4787   25.479   11.636   70.930   8.8209   56.251   14.992 14.67901 17.39480 
1 1 1   16    5   74 o   84.143   9.2082   55.241   9.9164   65.648   13.581   43.357   14.513   94.806   10.571   73.481   15.081 21.32568 18.41640 
1 1 1   16    5   75 o   80.932   7.2140   46.612   7.7614   42.076   9.8880   53.893   12.527   76.276   9.5661   85.587   10.801 -9.310356 14.42803 
1 1 1   16    5   76 o   67.269   7.0356   32.998   6.3819   37.220   9.1650   29.024   8.8918   71.687   9.4343   62.850   10.440 8.836971 14.07122 
1 1 1   16    5   77 o   75.768   6.4840   41.583   6.6497   43.942   9.4346   39.254   9.3739   78.034   8.9219   73.502   9.4110 4.531769 12.96793 
1 1 1   16    5   78 o   73.026   8.8533   42.159   7.8359   39.239   13.759   43.561   9.5329   68.606   15.199   77.446   9.0833 -8.840561 17.70668 
1 1 1   16    5   79 o   63.294   7.8609   30.572   6.5763   34.068   9.4678   27.313   9.1414   67.604   10.335   58.984   11.848 8.620502 15.72188 
1 1 1   16    5   80 o   40.915   10.066   10.627   6.7176   22.939   12.039   5.0601   8.0950   50.986   15.796   30.844   12.481 20.14216 20.13182 
1 1 1   16    5   81 o   56.677   9.7872   28.996   7.6346   19.850   13.189   33.605   9.3628   46.791   16.596   66.562   10.380 -19.77075 19.57447 
1 1 1   16    5   82 o   43.196   10.603   14.974   7.1770   22.111   12.802   11.702   8.6673   48.505   16.393   37.888   13.452 10.61718 21.20554 
1 1 1   16    5   83 o   48.373   10.324   18.533   7.2901   32.819   12.676   11.472   8.9111   59.507   15.548   37.240   13.586 22.26679 20.64719 
1 1 1   16    5   84 f   44.896   10.584   18.056   7.2051   23.191   12.571   15.544   8.7926   48.118   16.245   41.674   13.571 6.444378 21.16762 
1 1 1   16    5   85 o   36.769   10.458   10.051   8.5981   19.745   12.277   0.7186   12.046   43.893   15.956   29.645   13.524 14.24804 20.91648 
1 1 1   16    6    0 o  597.789   7.2689  2423.08   58.875  2468.15   84.137  2379.84   82.415  603.233   10.292  592.344   10.267 10.88861 14.53781 
1 1 1   16    6    1 o  923.051   10.536  5785.67  131.788  5769.78  185.964  5801.69  186.790  921.780   14.887  924.322   14.912 -2.541809 21.07166 
1 1 1   16    6    2 o  798.184   9.2579  4321.01  100.099  4443.13  144.033  4206.92  139.212  809.079   13.137  787.288   13.048 21.79102 18.51583 
1 1 1   16    6    3 o  980.457   13.697  6593.12  172.614  6363.39  292.491  6715.88  213.818  966.623   22.329  994.291   15.869 -27.66766 27.39369 
1 1 1   16    6    4 o  338.983   7.3988  779.621   33.981  788.026   47.739  770.989   48.380  340.840   10.336  337.126   10.590 3.713898 14.79766 
1 1 1   16    6    5 o  534.316   9.6235  1938.04   69.674  1923.74   97.697  1952.84   99.392  532.316   13.543  536.316   13.676 -4.000305 19.24699 
1 1 1   16    6    6 o  765.863   12.752  3986.80  132.318  4078.67  189.462  3899.32  184.875  774.470   18.052  757.256   18.016 17.21423 25.50409 
1 1 1   16    6    7 o  916.093   14.913  5709.53  185.040  5551.29  256.566  5881.06  267.124  902.904   20.969  929.281   21.212 -26.37750 29.82693 
1 1 1   16    6    8 o  1001.74   16.165  6840.40  219.439  6893.00  311.500  6788.57  309.181  1005.56   22.860  997.914   22.863 7.647400 32.33084 
1 1 1   16    6    9 o  370.172   7.6680  929.848   38.461  936.541   54.129  923.023   54.660  371.522   10.751  368.823   10.936 2.699890 15.33604 
1 1 1   16    6   10 o  237.149   6.5446  381.598   21.021  385.921   29.343  377.040   30.128  238.534   9.0775  235.764   9.4300 2.769989 13.08921 
1 1 1   16    6   11 o  430.202   8.3400  1255.77   48.610  1233.47   67.871  1279.24   69.654  426.286   11.749  434.117   11.840 -7.830933 16.68009 
1 1 1   16    6   13 o  465.723   12.280  1472.68   77.498  1472.68   77.498   0.0000   0.0000  465.723   12.280  ?   ?       ?      ? 
1 1 1   16    6   14 o  553.678   9.8590  2081.48   73.941  2039.21  102.734  2126.92  106.503  547.860   13.838  559.496   14.047 -11.63507 19.71797 
1 1 1   16    6   15 o  555.028   9.8747  2092.94   74.262  2140.91  105.649  2046.09  104.407  561.322   13.889  548.734   14.041 12.58789 19.74948 
1 1 1   16    6   16 o  644.701   11.067  2826.86   96.687  2834.71  136.339  2818.92  137.138  645.612   15.583  643.791   15.719 1.820984 22.13454 
1 1 1   16    6   17 o  175.693   6.4035  208.397   15.208  191.877   20.706  227.749   22.410  168.169   9.0858  183.217   9.0259 -15.04817 12.80692 
1 1 1   16    6   18 o  722.165   12.135  3550.31  118.742  3624.05  169.579  3479.38  166.322  729.521   17.153  714.808   17.170 14.71307 24.27058 
1 1 1   16    6   19 o  188.829   5.1573  235.181   12.197  259.128   22.435  225.133   14.532  195.434   8.4711  182.225   5.8850 13.20921 10.31466 
1 1 1   16    6   20 o  803.969   9.3222  4393.62  101.557  4354.17  142.522  4434.32  144.749  800.312   13.141  807.627   13.226 -7.314941 18.64448 
1 1 1   16    6   21 o  346.014   5.0288  811.982   23.575  835.886   33.516  788.574   33.166  351.057   7.0453  340.971   7.1778 10.08627 10.05768 
1 1 1   16    6   22 o  223.768   4.2289  339.697   12.806  362.631   18.198  317.203   18.023  231.258   5.8070  216.279   6.1493 14.97922 8.457859 
1 1 1   16    6   23 o  502.063   6.3727  1709.92   43.341  1771.33   62.214  1652.02   60.412  510.817   8.9876  493.308   9.0370 17.50912 12.74531 
1 1 1   16    6   24 o  356.910   6.1434  855.581   28.238  893.903   48.615  836.068   34.690  362.779   9.8888  351.041   7.2924 11.73779 12.28684 
1 1 1   16    6   25 o  144.403   7.2999  141.488   14.285  141.488   14.285   0.0000   0.0000  144.403   7.2999  ?   ?       ?      ? 
1 1 1   16    6   26 o  378.043   5.3458  962.990   27.282  1083.49   40.474  862.650   36.933  399.569   7.4748  356.517   7.6446 43.05130 10.69167 
1 1 1   16    6   27 o  534.061   8.3139  1944.00   56.215  1950.12   68.327  1931.19   98.893  535.764   9.4111  532.358   13.708 3.405701 16.62777 
1 1 1   16    6   28 o  344.293   6.3043  782.865   26.905  751.909   31.824  860.434   50.375  332.857   7.0552  355.729   10.450 -22.87198 12.60855 
1 1 1   16    6   29 o  422.334   5.6788  1210.32   32.486  1182.61   45.107  1240.18   46.825  417.322   7.9760  427.346   8.0856 -10.02438 11.35754 
1 1 1   16    6   30 o  143.530   4.0850  139.459   7.9336  134.614   10.867  144.990   11.610  140.868   5.6924  146.191   5.8603 -5.322983 8.169903 
1 1 1   16    6   31 o  281.747   4.6210  538.747   17.623  573.786   25.122  504.801   24.727  290.777   6.3755  272.716   6.6909 18.06088 9.242034 
1 1 1   16    6   32 o  254.546   4.4583  439.853   15.370  444.040   21.448  435.434   22.038  255.799   6.1874  253.293   6.4205 2.506027 8.916658 
1 1 1   16    6   33 o  186.656   5.8732  237.582   14.796  215.205   21.073  259.341   20.780  177.928   8.7398  195.384   7.8482 -17.45659 11.74642 
1 1 1   16    6   34 o   93.351   6.2111   59.148   7.8572   59.148   7.8572   0.0000   0.0000   93.351   6.2111  ?   ?       ?      ? 
1 1 1   16    6   35 o  426.817   8.2793  1242.23   47.865  1238.84   66.644  1245.84   68.789  426.255   11.537  427.378   11.878 -1.122284 16.55854 
1 1 1   16    6   36 o  149.473   4.2174  151.364   8.5335  145.416   11.743  158.018   12.422  146.370   5.9205  152.577   6.0077 -6.206772 8.434746 
1 1 1   16    6   37 o  453.849   6.0020  1397.15   36.861  1500.60   53.646  1304.62   50.733  469.734   8.4276  437.965   8.5481 31.76874 12.00396 
1 1 1   16    6   38 f  301.477   4.8099  617.348   19.634  652.136   27.978  583.596   27.559  309.859   6.6630  293.094   6.9386 16.76514 9.619755 
1 1 1   16    6   39 o  279.069   4.6661  528.210   17.629  511.316   24.295  546.998   25.621  274.370   6.5343  283.768   6.6627 -9.398193 9.332139 
1 1 1   16    6   40 o  360.338   5.2361  882.567   25.559  915.740   36.381  850.237   35.915  367.038   7.3144  353.639   7.4944 13.39920 10.47214 
1 1 1   16    6   41 f   95.331   4.6647   61.790   6.0136   62.467   8.2683   61.030   8.7623   95.895   6.3627   94.767   6.8230 1.128143 9.329369 
1 1 1   16    6   42 o  112.050   4.4942   85.701   6.7914   91.840   9.3985   78.993   9.8246  116.287   5.9641  107.813   6.7245 8.473282 8.988303 
1 1 1   16    6   43 o  214.394   4.3535  311.950   12.638  305.104   17.456  319.491   18.321  211.932   6.0779  216.857   6.2345 -4.925003 8.706903 
1 1 1   16    6   44 o  333.112   6.3483  757.819   26.549  760.530   32.043  751.882   47.417  334.428   7.0705  331.795   10.546 2.633545 12.69669 
1 1 1   16    6   45 o  204.279   5.5399  280.874   13.961  276.480   16.546  291.734   26.011  201.725   6.0528  206.834   9.2803 -5.108200 11.07970 
1 1 1   16    6   46 o  251.910   4.5738  431.563   15.607  443.241   21.972  419.671   22.173  255.366   6.3492  248.454   6.5855 6.911987 9.147698 
1 1 1   16    6   47 f  162.040   5.5917  188.695   11.580  140.628   18.185  221.481   15.019  143.557   9.3476  180.522   6.1393 -36.96411 11.18344 
1 1 1   16    6   48 o  148.760   5.3332  152.595   10.330  143.404   16.890  158.088   13.056  145.030   8.5937  152.491   6.3182 -7.461243 10.66638 
1 1 1   16    6   49 o  225.225   5.5545  346.495   16.046  342.659   27.479  348.480   19.767  224.077   9.0494  226.372   6.4436 -2.294342 11.10909 
1 1 1   16    6   50 o  267.259   5.7734  483.636   19.779  497.126   34.239  476.880   24.231  269.780   9.3654  264.739   6.7541 5.040985 11.54680 
1 1 1   16    6   51 o  291.825   4.8679  578.063   19.223  545.757   26.378  614.657   28.073  283.156   6.8743  300.494   6.8941 -17.33853 9.735738 
1 1 1   16    6   52 o  144.500   4.5780  141.949   8.9586  138.287   12.396  145.953   12.962  142.557   6.4167  146.443   6.5314 -3.886749 9.156023 
1 1 1   16    6   53 o  273.504   5.7050  494.726   19.853  466.913   23.926  556.195   35.569  261.844   6.7428  285.163   9.2045 -23.31927 11.41000 
1 1 1   16    6   54 o  353.162   6.4139  835.457   28.795  803.225   34.800  905.430   51.275  343.145   7.4838  363.180   10.418 -20.03458 12.82776 
1 1 1   16    6   55 o  103.453   5.0485   72.933   7.0716   71.369   9.7633   74.660   10.256  102.297   7.0429  104.609   7.2351 -2.312675 10.09697 
1 1 1   16    6   56 o  115.651   4.8383   91.356   7.5726   94.446   10.564   88.091   10.861  117.689   6.6239  113.612   7.0542 4.076881 9.676684 
1 1 1   16    6   57 o  155.016   6.5447  163.935   13.748   0.0000   0.0000  163.935   13.748  ?   ?   155.016   6.5447      ?      ? 
1 1 1   16    6   58 o  279.545   4.8547  533.902   18.389  534.412   25.819  533.377   26.196  279.699   6.8119  279.392   6.9189 0.3069458 9.709454 
1 1 1   16    6   59 o   51.528   8.1114   19.180   5.5155   19.963   7.6233   18.320   7.9898   52.723   11.025   50.333   11.901 2.389374 16.22271 
1 1 1   16    6   60 o  198.818   5.8081  270.656   14.383  268.996   17.217  274.491   26.168  198.372   6.4048  199.264   9.6909 -0.8912201 11.61614 
1 1 1   16    6   61 o  202.030   5.9946  291.530   15.041  309.534   18.314  254.222   26.364  212.712   6.3536  191.349   10.167 21.36267 11.98930 
1 1 1   16    6   62 o  182.556   4.6025  228.418   11.382  234.648   16.061  222.132   16.132  185.090   6.4033  180.022   6.6129 5.068130 9.205085 
1 1 1   16    6   63 o   81.075   5.7298   45.421   6.2844   48.750   8.9349   42.161   8.8408   84.065   7.8432   78.084   8.3550 5.980865 11.45957 
1 1 1   16    6   64 o  148.098   5.5887  149.212   10.682  159.618   18.376  143.900   13.128  151.518   8.9497  144.678   6.6962 6.840424 11.17743 
1 1 1   16    6   65 o  122.041   6.8829  102.643   11.383   0.0000   0.0000  102.643   11.383  ?   ?   122.041   6.8829      ?      ? 
1 1 1   16    6   66 o   85.283   5.6401   50.581   6.5102   51.837   9.0605   49.240   9.3603   86.442   7.7347   84.125   8.2108 2.317810 11.28020 
1 1 1   16    6   67 o   60.067   6.9014   25.452   5.6122   25.061   7.7445   25.884   8.1443   59.625   9.5848   60.510   9.9323 -0.8851089 13.80287 
1 1 1   16    6   68 o  177.464   4.6476  217.848   11.173  217.975   15.615  217.716   15.995  177.562   6.4893  177.365   6.6550 0.1970673 9.295148 
1 1 1   16    6   69 o   61.126   8.4714   29.057   6.5178   32.485   8.1706   23.059   10.809   67.836   8.8882   54.416   14.424 13.41948 16.94283 
1 1 1   16    6   70 o   75.700   7.1479   41.951   6.9333   44.111   8.6750   38.133   11.536   79.211   8.0817   72.188   11.792 7.022758 14.29585 
1 1 1   16    6   71 o   47.264   7.6474   16.912   5.3999   27.812   7.5680   5.6083   7.7070   62.545   8.9292   31.984   12.418 30.56035 15.29489 
1 1 1   16    6   72 o  107.573   5.2236   81.322   7.6040   83.864   10.596   78.622   10.918  109.428   7.1455  105.717   7.6214 3.711662 10.44719 
1 1 1   16    6   73 o  138.579   4.9315  134.645   9.2411  145.180   13.116  124.262   13.022  144.132   6.7152  133.027   7.2237 11.10526 9.862903 
1 1 1   16    6   74 o   61.426   7.6035   28.194   6.1567   30.608   8.5781   25.631   8.8417   64.984   9.7409   57.868   11.678 7.116566 15.20693 
1 1 1   16    6   75 o  119.556   6.5472   95.738   9.8421   84.295   11.638  124.480   18.443  108.955   7.8820  130.158   10.456 -21.20282 13.09444 
1 1 1   16    6   76 o   94.594   8.2931   64.025   10.631   0.0000   0.0000   64.025   10.631  ?   ?    94.594   8.2931      ?      ? 
1 1 1   16    6   77 f   50.659   9.7712   18.736   6.8876   31.373   11.703   12.040   8.5191   61.880   14.251   39.438   13.372 22.44195 19.54241 
1 1 1   16    6   78 o   48.049   11.023   19.711   8.2413   21.572   11.598   17.813   11.713   50.140   15.499   45.958   15.679 4.182224 22.04677 
1 1 1   16    6   79 o   44.206   13.347   16.111   8.6667   0.0000   0.0000   16.111   8.6667  ?   ?    44.206   13.347      ?      ? 
1 1 1   16    6   80 o   23.071   10.677  -4.2396   7.8916   0.0000   0.0000  -4.2396   7.8916  ?   ?    23.071   10.677      ?      ? 
1 1 1   16    6   81 o  118.364   6.8914  103.740   10.414  112.075   18.213   99.692   12.693  119.862   11.213  116.865   8.0148 2.997124 13.78289 
1 1 1   16    6   82 o   45.338   11.292   19.396   8.6371   18.334   12.388   20.399   12.048   44.239   16.037   46.437   15.902 -2.198086 22.58430 
1 1 1   16    6   83 o   39.570   10.155   10.886   8.5429  -4.9474   12.289   25.692   11.884   27.593   12.952   51.547   15.644 -23.95373 20.30989 
1 1 1   16    6   84 o   27.090   12.711  -4.1630   11.816  -4.1630   11.816   0.0000   0.0000   27.090   12.711  ?   ?       ?      ? 
1 1 1   16    7    0 o  548.799   6.8368  2041.90   50.832  2093.25   72.858  1993.19   70.955  555.518   9.6782  542.079   9.6591 13.43909 13.67353 
1 1 1   16    7    1 o  833.244   9.6243  4712.75  108.651  4811.25  155.582  4618.97  151.800  841.736   13.640  824.752   13.582 16.98376 19.24866 
1 1 1   16    7    2 o  324.400   4.9529  710.753   21.727  777.005   31.782  652.630   29.769  338.540   6.9277  310.260   7.0803 28.27966 9.905731 
1 1 1   16    7    3 o  342.487   5.0573  794.299   23.457  764.693   32.512  826.441   33.877  335.839   7.1439  349.134   7.1602 -13.29550 10.11454 
1 1 1   16    7    4 o  497.006   7.8861  1672.59   49.724  1686.89   87.492  1665.77   60.433  498.436   12.953  495.576   8.9987 2.859619 15.77213 
1 1 1   16    7    5 o  423.853   8.3432  1218.77   47.905  1194.34   66.691  1244.81   68.857  419.471   11.732  428.235   11.865 -8.763824 16.68639 
1 1 1   16    7    6 o  537.479   9.7076  1962.30   70.704  1966.34   99.654  1958.20  100.331  538.042   13.668  536.916   13.789 1.126770 19.41527 
1 1 1   16    7    7 o  169.297   6.7462  194.668   15.409  218.596   22.016  171.695   21.573  179.516   9.0501  159.078   10.007 20.43887 13.49249 
1 1 1   16    7    8 o  800.196   13.275  4358.85  143.937  4424.65  205.136  4295.03  202.014  806.144   18.778  794.249   18.769 11.89435 26.54972 
1 1 1   16    7    9 o  462.190   8.7698  1450.59   54.926  1459.32   77.528  1441.79   77.828  463.591   12.341  460.789   12.464 2.802643 17.53960 
1 1 1   16    7   10 o  338.910   7.4303  776.548   34.060  728.073   46.500  832.661   50.029  327.544   10.476  350.277   10.540 -22.73349 14.86055 
1 1 1   16    7   11 o  269.076   6.8462  491.141   24.955  487.187   34.765  495.344   35.841  267.963   9.5739  270.189   9.7889 -2.225494 13.69244 
1 1 1   16    7   12 o  355.187   7.5681  856.024   36.414  889.300   51.985  823.968   51.023  361.967   10.598  348.406   10.807 13.56165 15.13619 
1 1 1   16    7   13 o  344.238   7.4447  804.413   34.725  818.174   49.110  790.653   49.106  347.188   10.438  341.288   10.618 5.899597 14.88938 
1 1 1   16    7   14 o  212.835   6.5692  307.579   18.906  333.575   26.912  282.248   26.566  221.731   8.9564  203.939   9.6125 17.79193 13.13836 
1 1 1   16    7   15 o  551.226   9.8594  2065.20   73.635  2117.84  105.196  2014.63  103.107  558.115   13.909  544.337   13.978 13.77808 19.71886 
1 1 1   16    7   16 f  738.066   17.598  3712.42  176.013   0.0000   0.0000  3712.42  176.013  ?   ?   738.066   17.598      ?      ? 
1 1 1   16    7   18 o  229.565   9.8013  357.797   30.491   0.0000   0.0000  357.797   30.491  ?   ?   229.565   9.8013      ?      ? 
1 1 1   16    7   19 o  793.148   18.731  4295.69  201.326   0.0000   0.0000  4295.69  201.326  ?   ?   793.148   18.731      ?      ? 
1 1 1   16    7   20 o  351.309   7.4977  837.335   35.662  813.617   49.168  863.662   51.802  346.077   10.484  356.540   10.721 -10.46371 14.99542 
1 1 1   16    7   21 o  221.272   5.6002  339.330   15.101  348.980   17.950  315.951   27.937  226.850   5.8390  215.694   9.5579 11.15607 11.20034 
1 1 1   16    7   22 o  246.598   4.3500  412.573   14.532  419.937   20.428  405.028   20.678  248.831   6.0582  244.366   6.2442 4.464478 8.700095 
1 1 1   16    7   23 o  327.751   4.9339  727.867   21.888  779.890   31.538  679.528   30.401  339.041   6.8644  316.461   7.0890 22.58014 9.867848 
1 1 1   16    7   24 o  567.765   6.9989  2190.55   53.848  2214.70   76.320  2166.61   75.985  570.886   9.8653  564.644   9.9305 6.242737 13.99778 
1 1 1   16    7   25 o  236.721   4.3417  380.401   13.904  408.248   19.749  353.033   19.578  245.326   5.9404  228.116   6.3334 17.20992 8.683369 
1 1 1   16    7   26 o  412.246   5.6020  1153.29   31.283  1132.76   43.492  1175.30   45.029  408.454   7.8574  416.038   7.9869 -7.583710 11.20396 
1 1 1   16    7   27 o  173.922   4.1176  205.904   9.6646  225.633   13.594  185.740   13.743  182.386   5.5001  165.458   6.1293 16.92848 8.235234 
1 1 1   16    7   28 o  161.864   4.8019  179.163   10.008  182.224   12.415  173.483   16.915  163.898   5.5897  159.830   7.8095 4.067947 9.603777 
1 1 1   16    7   29 o  335.909   6.9905  766.002   31.821  766.002   31.821   0.0000   0.0000  335.909   6.9905  ?   ?       ?      ? 
1 1 1   16    7   30 o  147.165   9.7008  147.316   19.346   0.0000   0.0000  147.316   19.346  ?   ?   147.165   9.7008      ?      ? 
1 1 1   16    7   31 o  157.145   5.2271  166.912   10.494  170.134   18.259  165.323   12.824  158.211   8.5164  156.079   6.0630 2.132004 10.45416 
1 1 1   16    7   32 o  305.622   4.8273  627.999   19.894  562.468   26.664  710.292   29.880  287.813   6.8364  323.432   6.8173 -35.61874 9.654579 
1 1 1   16    7   33 o  173.396   6.0565  204.075   14.231   0.0000   0.0000  204.075   14.231  ?   ?   173.396   6.0565      ?      ? 
1 1 1   16    7   34 o  391.186   6.7298  1040.02   33.670  1046.28   58.255  1036.87   41.260  391.778   10.973  390.594   7.7950 1.183990 13.45957 
1 1 1   16    7   35 o  154.238   5.2476  160.961   10.392  163.822   17.893  159.506   12.765  155.197   8.5080  153.278   6.1453 1.919083 10.49527 
1 1 1   16    7   36 o  388.307   5.4523  1024.50   28.676  1070.76   41.008  980.235   40.116  396.894   7.6245  379.720   7.7959 17.17450 10.90459 
1 1 1   16    7   37 o  195.555   4.2854  260.092   11.330  280.034   16.005  240.059   16.042  203.098   5.8152  188.013   6.2963 15.08560 8.570833 
1 1 1   16    7   38 o  171.267   4.2504  198.099   9.8359  179.824   13.389  219.522   14.497  162.729   6.0717  179.804   5.9495 -17.07481 8.500747 
1 1 1   16    7   39 o  276.260   4.6628  518.583   17.438  550.484   24.829  487.534   24.495  284.663   6.4365  267.858   6.7483 16.80460 9.325674 
1 1 1   16    7   40 o  307.566   4.8596  642.934   20.242  672.930   28.799  613.643   28.459  314.672   6.7536  300.459   6.9895 14.21320 9.719224 
1 1 1   16    7   41 o  206.421   4.3483  289.856   12.140  310.292   17.152  269.345   17.184  213.741   5.9218  199.102   6.3689 14.63885 8.696579 
1 1 1   16    7   42 o  301.375   4.8438  617.645   19.777  627.986   27.802  607.053   28.138  303.944   6.7500  298.806   6.9489 5.137604 9.687625 
1 1 1   16    7   43 o  115.308   5.4601   91.065   8.2149   88.306   13.484   92.693   10.360  113.838   8.7405  116.777   6.5464 -2.938782 10.92021 
1 1 1   16    7   44 o  272.936   5.6512  499.017   19.856  533.329   34.377  481.840   24.323  279.669   9.0708  266.203   6.7426 13.46588 11.30233 
1 1 1   16    7   45 o  238.872   5.7827  389.507   17.183  390.760   20.586  386.628   31.203  239.762   6.3359  237.982   9.6754 1.779633 11.56536 
1 1 1   16    7   46 f  367.396   6.7636  937.086   31.453  967.252   38.530  876.834   54.454  376.934   7.5431  357.858   11.229 19.07590 13.52719 
1 1 1   16    7   47 o  152.893   4.4198  158.615   9.1451  153.211   12.544  164.748   13.361  150.125   6.1657  155.661   6.3341 -5.535538 8.839532 
1 1 1   16    7   48 o  304.839   4.9407  630.296   20.375  594.221   27.852  671.821   29.882  295.494   6.9556  314.184   7.0186 -18.69016 9.881317 
1 1 1   16    7   49 o  190.712   4.4824  246.198   11.557  228.255   15.723  267.283   17.044  183.191   6.3334  198.234   6.3447 -15.04225 8.964810 
1 1 1   16    7   50 o  216.848   6.3436  320.971   18.630  327.741   26.913  314.742   25.815  219.023   9.0677  214.673   8.8737 4.349747 12.68719 
1 1 1   16    7   51 f  208.654   6.3283  295.095   17.811  336.858   26.494  260.658   24.058  222.041   8.8050  195.266   9.0918 26.77560 12.65659 
1 1 1   16    7   52 o  207.330   4.5209  292.062   12.689  279.577   17.467  306.013   18.464  202.653   6.3602  212.008   6.4267 -9.354279 9.041846 
1 1 1   16    7   53 o  236.608   4.6093  381.106   14.772  373.387   20.510  389.426   21.294  234.131   6.4644  239.085   6.5722 -4.954514 9.218586 
1 1 1   16    7   54 o  121.986   4.7548  101.926   7.8185  112.350   10.957   91.113   11.160  128.417   6.2964  115.556   7.1265 12.86052 9.509573 
1 1 1   16    7   55 o  100.699   5.0176   69.411   6.8281   72.584   9.4605   65.960   9.8652  103.143   6.7685   98.256   7.4091 4.886635 10.03526 
1 1 1   16    7   56 o  185.255   4.5079  234.357   11.302  246.919   15.939  221.653   16.029  190.291   6.1812  180.219   6.5634 10.07141 9.015823 
1 1 1   16    7   57 o  237.895   4.6740  385.139   15.039  356.545   20.601  417.764   22.005  228.463   6.6540  247.327   6.5656 -18.86354 9.347900 
1 1 1   16    7   58 f  117.097   4.9602   94.190   7.8231  106.136   11.072   82.280   11.055  124.613   6.5564  109.581   7.4449 15.03188 9.920345 
1 1 1   16    7   59 o   56.720   7.6074   23.194   5.6493   12.181   7.7561   35.638   8.2450   41.491   12.648   71.948   8.4564 -30.45737 15.21486 
1 1 1   16    7   60 f  137.135   4.7035  128.287   8.7046  112.848   11.933  145.846   12.726  128.305   6.8630  145.965   6.4335 -17.66006 9.406990 
1 1 1   16    7   61 o  104.745   7.5564   76.525   10.630   75.567   14.088   77.792   16.197  104.189   9.9780  105.301   11.351 -1.111374 15.11271 
1 1 1   16    7   62 o  101.155   7.4962   70.541   10.190   62.281   13.418   81.797   15.664   94.304   10.500  108.006   10.702 -13.70205 14.99236 
1 1 1   16    7   63 o   97.887   5.1672   65.973   6.8460   63.804   9.4037   68.419   9.9858   96.200   7.2134   99.574   7.4004 -3.373695 10.33441 
1 1 1   16    7   64 o   83.987   5.6504   48.743   6.3957   42.078   8.7789   56.282   9.3367   77.808   8.3259   90.166   7.6413 -12.35797 11.30088 
1 1 1   16    7   65 o  122.135   4.8896  103.033   8.0888   98.712   11.356  107.483   11.524  119.503   7.0124  124.767   6.8162 -5.264038 9.779259 
1 1 1   16    7   66 o   52.095   9.6351   19.901   6.5740   23.055   11.479   18.361   8.0196   54.658   15.029   49.532   12.060 5.126690 19.27012 
1 1 1   16    7   67 o   59.944   10.271   28.056   8.3035   23.774   12.076   31.895   11.436   55.099   15.514   64.789   13.465 -9.690319 20.54249 
1 1 1   16    7   68 o   53.437   8.1879   21.485   5.7580   22.971   8.0147   19.899   8.2776   55.603   11.026   51.271   12.107 4.332443 16.37578 
1 1 1   16    7   69 o   70.598   6.4595   35.347   6.1726   33.165   8.5325   37.743   8.9405   68.286   9.2207   72.910   9.0488 -4.624405 12.91906 
1 1 1   16    7   70 o   69.388   6.9995   34.550   6.1986   24.042   8.3003   47.800   9.3203   56.567   11.224   82.209   8.3662 -25.64135 13.99902 
1 1 1   16    7   71 o   67.810   6.7472   33.036   6.1746   32.959   8.3665   33.129   9.1504   67.901   9.0926   67.719   9.9712 0.1821136 13.49439 
1 1 1   16    7   72 o  103.134   5.4665   75.016   7.6128   66.899   10.576   83.745   10.968   97.186   8.0301  109.083   7.4194 -11.89716 10.93296 
1 1 1   16    7   73 o   86.677   6.0683   53.777   7.0871   60.637   10.094   47.107   9.9528   92.404   8.0611   80.950   9.0728 11.45360 12.13663 
1 1 1   16    7   74 o   81.894   6.3717   48.541   6.9040   36.420   9.5746   61.669   9.9646   70.617   10.005   93.171   7.8922 -22.55464 12.74337 
1 1 1   16    7   75 o   63.535   9.1262   32.442   7.4378   27.894   12.110   35.197   9.4248   57.804   15.242   69.265   10.041 -11.46180 18.25235 
1 1 1   16    7   76 o   33.990   9.9617   5.2285   7.6290   8.1488   10.261   1.6185   11.408   36.045   14.229   31.935   13.945 4.110117 19.92348 
1 1 1   16    7   77 o   90.466   8.7127   63.588   10.609   66.558   14.492   60.159   15.574   93.536   11.433   87.396   13.150 6.139664 17.42534 
1 1 1   16    7   78 o   51.981   10.011   23.257   7.2164   20.395   11.783   24.975   9.1286   48.271   15.710   55.691   12.413 -7.419689 20.02229 
1 1 1   16    7   79 o   67.664   9.3668   39.543   7.9012   30.486   13.222   44.573   9.8542   57.911   16.209   77.417   9.3930 -19.50578 18.73354 
1 1 1   16    7   80 o   80.865   12.607   52.833   13.815   0.0000   0.0000   52.833   13.815  ?   ?    80.865   12.607      ?      ? 
1 1 1   16    8    0 o  686.483   8.1695  3199.05   75.999  3199.17  107.368  3198.93  107.590  686.498   11.541  686.469   11.566 0.2850342E-01 16.33904 
1 1 1   16    8    1 o  776.804   9.0602  4097.94   95.373  4126.08  135.326  4070.17  134.433  779.454   12.812  774.154   12.814 5.299744 18.12036 
1 1 1   16    8    2 o  778.839   9.0835  4119.73   95.870  4132.37  135.684  4107.12  135.478  780.034   12.836  777.644   12.856 2.389648 18.16704 
1 1 1   16    8    3 o  760.508   8.9005  3927.57   91.723  3895.49  128.908  3960.46  130.538  757.367   12.560  763.649   12.614 -6.282593 17.80094 
1 1 1   16    8    4 o  622.104   7.5415  2626.21   63.570  2593.26   89.079  2660.42   90.748  618.131   10.634  626.077   10.696 -7.946594 15.08301 
1 1 1   16    8    5 o  187.344   4.2633  237.222   10.798  215.466   14.863  261.537   15.713  178.273   6.1524  196.415   5.9035 -18.14151 8.526619 
1 1 1   16    8    6 o  213.642   9.6506  309.714   27.940   0.0000   0.0000  309.714   27.940  ?   ?   213.642   9.6506      ?      ? 
1 1 1   16    8    7 o  319.421   6.9834  692.095   30.018  689.739   40.120  695.091   45.243  318.833   9.2856  320.009   10.433 -1.175873 13.96673 
1 1 1   16    8    8 f  132.900   10.277  119.886   18.508   0.0000   0.0000  119.886   18.508  ?   ?   132.900   10.277      ?      ? 
1 1 1   16    8    9 o  574.460   14.502  2244.18  112.890   0.0000   0.0000  2244.18  112.890  ?   ?   574.460   14.502      ?      ? 
1 1 1   16    8   10 o  802.586   18.918  4392.74  205.751   0.0000   0.0000  4392.74  205.751  ?   ?   802.586   18.918      ?      ? 
1 1 1   16    8   11 o  325.532   10.539  719.526   46.494   0.0000   0.0000  719.526   46.494  ?   ?   325.532   10.539      ?      ? 
1 1 1   16    8   12 o  261.083   6.8646  462.234   24.270  450.494   33.567  475.095   35.133  257.617   9.6152  264.548   9.8001 -6.931213 13.72929 
1 1 1   16    8   13 o  467.870   8.8659  1487.00   56.187  1550.48   80.536  1426.80   78.426  477.604   12.443  458.136   12.632 19.46735 17.73182 
1 1 1   16    8   14 o  695.665   11.839  3296.53  111.570  3404.57  160.247  3194.90  155.430  706.721   16.732  684.609   16.754 22.11212 23.67821 
1 1 1   16    8   15 o  614.580   10.728  2572.61   89.345  2591.22  126.313  2553.98  126.394  616.817   15.112  612.343   15.232 4.474243 21.45611 
1 1 1   16    8   16 o  173.791   6.6609  205.333   15.663  210.833   21.745  199.403   22.580  176.224   9.1057  171.357   9.7239 4.867050 13.32174 
1 1 1   16    8   17 o  219.997   6.6418  328.496   19.778  325.390   27.267  331.944   28.731  218.911   9.1916  221.084   9.5900 -2.173111 13.28356 
1 1 1   16    8   18 o  369.899   7.7585  930.293   38.876  957.473   54.915  902.985   55.044  375.335   10.797  364.462   11.145 10.87289 15.51701 
1 1 1   16    8   19 o  324.932   7.3104  717.373   32.171  713.753   44.686  721.268   46.352  324.096   10.175  325.767   10.500 -1.671143 14.62087 
1 1 1   16    8   20 o  310.265   10.354  654.305   43.532   0.0000   0.0000  654.305   43.532  ?   ?   310.265   10.354      ?      ? 
1 1 1   16    8   21 o  119.884   6.8452   97.522   11.121   97.522   11.121   0.0000   0.0000  119.884   6.8452  ?   ?       ?      ? 
1 1 1   16    8   22 o  463.729   8.5638  1460.55   53.816  1460.55   53.816   0.0000   0.0000  463.729   8.5638  ?   ?       ?      ? 
1 1 1   16    8   23 o  199.788   4.6695  270.655   12.642  270.655   12.642   0.0000   0.0000  199.788   4.6695  ?   ?       ?      ? 
1 1 1   16    8   24 o  306.327   5.4368  636.480   22.569  636.480   22.569   0.0000   0.0000  306.327   5.4368  ?   ?       ?      ? 
1 1 1   16    8   25 o  314.002   4.8352  669.081   20.564  699.654   29.325  639.504   28.844  321.065   6.7401  306.939   6.9346 14.12656 9.670395 
1 1 1   16    8   26 o  243.980   6.6201  404.426   21.855  399.479   30.018  410.007   31.882  242.413   9.1377  245.546   9.5815 -3.133469 13.24023 
1 1 1   16    8   27 o  118.620   5.5228   92.847   8.2139  102.742   15.090   88.680   9.7916  122.931   9.0580  114.308   6.3211 8.622795 11.04551 
1 1 1   16    8   28 o  517.641   6.5659  1822.38   46.057  1836.05   65.043  1808.65   65.225  519.596   9.2374  515.685   9.3336 3.911438 13.13187 
1 1 1   16    8   29 o  320.846   6.2762  703.003   25.082  707.727   30.102  692.274   45.363  322.844   6.8804  318.848   10.499 3.996002 12.55249 
1 1 1   16    8   30 o  294.780   6.0756  598.617   22.339  611.329   26.943  570.654   39.960  300.062   6.6259  289.499   10.186 10.56281 12.15125 
1 1 1   16    8   31 o  286.001   4.6829  555.130   18.142  545.731   25.219  565.211   26.117  283.498   6.5644  288.503   6.6802 -5.004486 9.365764 
1 1 1   16    8   32 o  120.135   4.3175   97.860   7.0245   94.508   9.7294  101.511   10.152  117.989   6.0850  122.281   6.1268 -4.292107 8.635080 
1 1 1   16    8   33 o  231.223   4.4042  362.799   13.792  356.983   19.128  369.098   19.905  229.300   6.1559  233.147   6.3002 -3.846970 8.808366 
1 1 1   16    8   34 o  579.329   7.1844  2273.94   56.238  2490.65   83.323  2092.62   76.216  604.529   10.171  554.129   10.150 50.39941 14.36889 
1 1 1   16    8   35 o  285.321   5.8785  556.454   21.477  545.761   36.834  561.961   26.435  283.041   9.6032  287.601   6.7829 -4.559448 11.75706 
1 1 1   16    8   36 o  415.959   7.1146  1205.13   38.219  1090.21   62.912  1272.35   48.116  399.472   11.621  432.445   8.2106 -32.97296 14.22929 
1 1 1   16    8   37 f  247.134   4.5092  415.105   15.092  431.518   21.317  398.613   21.369  252.048   6.2412  242.221   6.5101 9.826675 9.018488 
1 1 1   16    8   38 o   94.002   4.7725   60.099   6.0741   61.414   8.4735   58.709   8.7114   95.068   6.5773   92.937   6.9171 2.131500 9.544956 
1 1 1   16    8   39 o  252.680   5.4015  419.043   17.581  483.109   30.855  388.244   21.394  266.348   8.5486  239.012   6.6052 27.33571 10.80309 
1 1 1   16    8   40 f  146.067   5.1914  145.333   9.9024  144.340   16.325  145.911   12.455  145.596   8.2742  146.539   6.2722 -0.9428711 10.38285 
1 1 1   16    8   41 o  250.410   4.5584  426.260   15.461  428.604   21.576  423.785   22.167  251.131   6.3399  249.689   6.5514 1.441086 9.116718 
1 1 1   16    8   42 o  206.390   4.4043  289.622   12.310  293.573   17.165  285.437   17.663  207.853   6.0939  204.926   6.3606 2.926956 8.808641 
1 1 1   16    8   43 f  326.259   5.0565  724.357   22.351  735.455   31.459  713.044   31.762  328.800   7.0604  323.718   7.2403 5.081696 10.11296 
1 1 1   16    8   44 o  105.955   4.9325   76.215   7.0583   67.856   9.7557   85.397   10.225   99.857   7.2094  112.053   6.7336 -12.19640 9.864919 
1 1 1   16    8   45 o  211.893   6.2517  305.251   17.951  305.251   17.951   0.0000   0.0000  211.893   6.2517  ?   ?       ?      ? 
1 1 1   16    8   46 o  262.431   6.5716  468.465   23.370  468.465   23.370   0.0000   0.0000  262.431   6.5716  ?   ?       ?      ? 
1 1 1   16    8   47 o  343.747   7.3181  804.704   34.089  804.704   34.089   0.0000   0.0000  343.747   7.3181  ?   ?       ?      ? 
1 1 1   16    8   48 o  101.505   5.1361   70.200   7.0631   71.486   9.9448   68.891   10.033  102.451   7.1630  100.560   7.3626 1.891579 10.27215 
1 1 1   16    8   49 o  274.578   4.8113  512.600   17.889  491.870   24.732  535.345   25.906  268.768   6.7905  280.389   6.8181 -11.62076 9.622701 
1 1 1   16    8   50 o  160.158   4.5201  174.293   9.8007  167.007   13.506  182.398   14.244  156.632   6.3630  163.684   6.4217 -7.051315 9.040215 
1 1 1   16    8   51 o  193.906   4.5594  255.686   11.930  289.529   17.251  224.671   16.515  206.225   6.1731  181.586   6.7115 24.63936 9.118706 
1 1 1   16    8   52 o   83.916   6.8397   47.463   7.4034   51.103   12.777   45.623   9.0836   86.148   10.945   81.685   8.2060 4.463493 13.67943 
1 1 1   16    8   53 o   43.168   8.4722   13.331   5.1602   14.954   7.1050   11.518   7.5069   45.657   11.492   40.679   12.452 4.978073 16.94439 
1 1 1   16    8   54 o  214.722   4.5544  314.421   13.247  311.572   18.442  317.458   19.041  213.733   6.3673  215.710   6.5138 -1.976639 9.108869 
1 1 1   16    8   55 o  118.277   4.8424   95.982   7.7251  105.011   10.819   86.591   11.034  124.033   6.4366  112.521   7.2365 11.51163 9.684847 
1 1 1   16    8   56 o  114.206   4.9468   88.668   7.5840   72.970   10.320  107.097   11.182  103.224   7.3779  125.188   6.5915 -21.96392 9.893534 
1 1 1   16    8   57 o   72.911   6.1795   36.640   6.0637   31.274   8.4387   42.369   8.7190   67.316   9.2507   78.506   8.1956 -11.18982 12.35892 
1 1 1   16    8   58 o  266.928   5.7967  471.709   19.785  547.429   35.284  436.980   23.896  281.372   9.2537  252.484   6.9839 28.88834 11.59338 
1 1 1   16    8   59 o   75.799   6.0978   39.985   6.1990   33.722   8.8086   46.131   8.7254   69.751   9.3190   81.846   7.8669 -12.09480 12.19561 
1 1 1   16    8   60 o  114.374   4.9109   89.914   7.6064   93.834   10.773   86.016   10.742  116.894   6.8006  111.854   7.0866 5.040100 9.821798 
1 1 1   16    8   61 o   71.506   6.1686   35.503   5.9637   32.470   8.3577   38.648   8.5123   68.334   9.0253   74.678   8.4114 -6.343773 12.33729 
1 1 1   16    8   62 o  153.186   10.090  164.749   20.946   0.0000   0.0000  164.749   20.946  ?   ?   153.186   10.090      ?      ? 
1 1 1   16    8   63 o   43.121   10.659   10.004   6.4899   7.4504   7.2650   20.092   14.439   34.305   12.301   51.936   17.411 -17.63049 21.31770 
1 1 1   16    8   64 o   96.381   6.7990   70.561   8.0469   82.040   10.083   50.422   13.355  108.951   6.8291   83.811   11.759 25.13926 13.59799 
1 1 1   16    8   65 o  113.739   5.1484   90.136   7.9067   96.699   11.039   83.223   11.330  118.147   6.8949  109.330   7.6474 8.817070 10.29672 
1 1 1   16    8   66 o  157.704   4.7837  172.103   10.210  161.122   14.089  184.248   14.817  152.387   6.8227  163.021   6.7072 -10.63387 9.567400 
1 1 1   16    8   67 f   51.941   8.8082   22.647   6.7163   8.2083   11.146   30.878   8.4159   37.994   14.883   65.888   9.4256 -27.89420 17.61641 
1 1 1   16    8   68 o   68.232   8.8935   36.998   7.4217   29.207   12.647   41.090   9.1659   60.381   15.406   76.084   8.8899 -15.70374 17.78699 
1 1 1   16    8   69 o  122.782   5.0487  105.286   8.3914   99.219   11.598  111.949   12.156  119.051   7.1891  126.513   7.0903 -7.462296 10.09735 
1 1 1   16    8   70 o   82.454   6.0057   48.066   6.6868   42.936   9.1232   54.021   9.8295   77.643   8.6708   87.264   8.3122 -9.620277 12.01142 
1 1 1   16    8   71 o   31.385   8.4986   5.0804   5.2598   1.1631   7.3340   9.2292   7.5475   26.817   11.440   35.954   12.571 -9.137131 16.99728 
1 1 1   16    8   72 o   80.179   7.3922   45.781   7.7245   52.267   13.132   42.348   9.5519   83.704   11.577   76.653   9.1955 7.051079 14.78442 
1 1 1   16    8   73 o   80.304   7.9972   50.743   7.8552   39.980   12.711   57.392   9.9912   70.939   13.719   89.669   8.2223 -18.72973 15.99432 
1 1 1   16    8   74 f   58.703   9.2133   27.304   6.9866   27.835   11.296   26.975   8.8914   58.243   14.394   59.164   11.504 -0.9209366 18.42663 
1 1 1   16    8   75 o   57.415   9.0555   28.364   7.0148   16.984   11.359   35.380   8.9189   45.296   15.441   69.533   9.4653 -24.23724 18.11098 
1 1 1   16    8   76 o   53.960   9.6817   24.318   6.9660   22.660   11.529   25.271   8.7421   51.264   15.375   56.657   11.771 -5.392448 19.36349 
1 1 1   16    8   77 o   67.116   14.593   38.094   12.894   38.094   12.894   0.0000   0.0000   67.116   14.593  ?   ?       ?      ? 
1 1 1   16    8   78 o   50.199   16.371   23.228   12.793   23.228   12.793   0.0000   0.0000   50.199   16.371  ?   ?       ?      ? 
1 1 1   16    9    0 o  328.136   6.3827  731.026   26.365  729.505   46.951  731.726   31.863  327.799   10.570  328.473   7.1582 -0.6746521 12.76534 
1 1 1   16    9    1 o  609.273   9.2150  2527.55   71.568  2509.36  124.255  2536.58   87.549  607.309   15.098  611.236   10.570 -3.926880 18.43008 
1 1 1   16    9    2 o   98.186   4.9601   65.550   6.5391   54.564   9.1203   77.173   9.3804   89.691   7.5037  106.681   6.4886 -16.98954 9.920099 
1 1 1   16    9    3 o  583.555   7.1933  2311.35   56.878  2357.18   81.124  2267.03   79.767  589.245   10.160  577.865   10.186 11.38043 14.38662 
1 1 1   16    9    4 o  492.207   6.3609  1643.69   42.421  1622.27   59.326  1666.09   60.680  488.931   8.9540  495.484   9.0372 -6.553070 12.72186 
1 1 1   16    9    5 o  328.198   5.0093  730.244   22.265  767.119   31.827  694.901   31.159  336.313   6.9835  320.082   7.1836 16.23096 10.01864 
1 1 1   16    9    6 o  240.716   4.4701  392.243   14.568  376.744   20.080  409.467   21.167  235.706   6.2865  245.727   6.3567 -10.02119 8.940244 
1 1 1   16    9    7 o  328.271   6.0747  739.186   22.365  745.475   25.370  717.258   47.373  331.584   5.6461  324.958   10.758 6.625519 12.14944 
1 1 1   16    9    8 o  505.220   7.6154  1730.29   44.084  1727.15   50.323  1740.63   91.410  504.580   7.3596  505.859   13.335 -1.278320 15.23074 
1 1 1   16    9    9 o  133.548   5.4274  111.751   7.2618  107.637   7.8737  135.170   18.788  126.009   4.6110  141.087   9.8268 -15.07802 10.85485 
1 1 1   16    9   10 o  234.769   5.7757  374.595   16.516  375.309   19.487  372.773   31.119  235.248   6.1128  234.290   9.8013 0.9585114 11.55133 
1 1 1   16    9   11 o  303.943   6.1471  621.232   23.073  613.016   27.378  641.372   42.866  300.621   6.7205  307.266   10.295 -6.645050 12.29418 
1 1 1   16    9   12 o  202.902   5.6042  275.466   13.737  270.856   16.053  288.078   26.550  199.847   5.9276  205.957   9.5128 -6.109879 11.20845 
1 1 1   16    9   13 o  299.754   7.2109  608.718   29.235  582.786   39.872  638.872   42.995  292.882   10.046  306.627   10.347 -13.74420 14.42171 
1 1 1   16    9   14 o  250.466   9.4150  426.111   31.956  426.111   31.956   0.0000   0.0000  250.466   9.4150  ?   ?       ?      ? 
1 1 1   16    9   15 o  383.891   11.065  1002.10   57.561  1002.10   57.561   0.0000   0.0000  383.891   11.065  ?   ?       ?      ? 
1 1 1   16    9   16 o   87.061   11.268   51.555   13.294   51.555   13.294   0.0000   0.0000   87.061   11.268  ?   ?       ?      ? 
1 1 1   16    9   17 o  279.885   7.0583  532.225   26.700  529.348   36.413  535.571   39.268  279.098   9.6275  280.672   10.324 -1.574097 14.11662 
1 1 1   16    9   18 o  194.955   6.6127  258.507   17.420  261.579   23.837  254.983   25.522  196.222   8.9642  193.687   9.7238 2.535263 13.22535 
1 1 1   16    9   19 o  239.020   5.7211  385.771   16.650  382.984   19.597  393.002   31.571  237.594   6.0865  240.446   9.6891 -2.851410 11.44226 
1 1 1   16    9   20 o  292.226   6.0655  576.966   21.864  572.506   25.956  587.861   40.566  290.451   6.5946  294.001   10.182 -3.550507 12.13106 
1 1 1   16    9   21 o  110.598   6.2317   84.403   7.7108   85.424   8.7476   80.847   16.329  112.213   5.7526  108.983   11.056 3.230286 12.46338 
1 1 1   16    9   22 o  173.889   6.6686  204.851   15.656  197.475   21.105  213.877   23.347  170.439   9.1376  177.339   9.7151 -6.899521 13.33710 
1 1 1   16    9   23 f  308.609   5.8307  632.417   19.946  621.913   22.388  672.833   43.915  302.778   5.4565  314.440   10.306 -11.66141 11.66138 
1 1 1   16    9   24 o   89.768   6.8451   59.490   5.7299   61.473   6.2265   48.525   14.641   95.203   4.8263   84.332   12.811 10.87046 13.69025 
1 1 1   16    9   25 o  100.441   6.0660   60.561   6.6377   55.809   7.3158   82.686   15.786   90.685   5.9531  110.197   10.571 -19.51173 12.13202 
1 1 1   16    9   26 o  231.299   4.9694  362.906   15.576  362.906   15.576   0.0000   0.0000  231.299   4.9694  ?   ?       ?      ? 
1 1 1   16    9   27 o  154.012   5.7808  162.280   10.444  163.342   12.079  159.136   20.786  155.141   5.7455  152.883   10.033 2.258133 11.56151 
1 1 1   16    9   28 o  194.689   5.6273  259.314   13.276  261.422   15.641  253.878   25.113  196.254   5.8810  193.124   9.5958 3.129868 11.25454 
1 1 1   16    9   29 o  209.685   5.7641  304.895   14.685  312.828   17.413  285.353   27.330  214.670   5.9857  204.700   9.8523 9.969696 11.52810 
1 1 1   16    9   30 o  268.811   5.9319  484.090   19.610  474.216   23.164  509.068   36.842  264.253   6.4686  273.369   9.9452 -9.116333 11.86380 
1 1 1   16    9   31 o  485.787   6.3058  1606.13   41.508  1635.14   58.872  1577.45   58.531  490.162   8.8632  481.412   8.9720 8.749908 12.61162 
1 1 1   16    9   32 o  310.178   4.9263  652.557   20.670  710.234   29.876  599.602   28.627  323.319   6.8188  297.037   7.1118 26.28214 9.852580 
1 1 1   16    9   33 o  333.987   5.0778  757.927   22.969  794.585   32.797  722.643   32.177  341.924   7.0783  326.049   7.2824 15.87521 10.15558 
1 1 1   16    9   34 o  265.002   5.7164  493.219   19.690  414.510   31.168  545.495   25.401  246.658   9.3245  283.345   6.6153 -36.68726 11.43280 
1 1 1   16    9   35 o  192.682   6.2130  252.197   16.223   0.0000   0.0000  252.197   16.223  ?   ?   192.682   6.2130      ?      ? 
1 1 1   16    9   36 o  345.487   6.3432  790.263   27.706  876.628   50.128  752.278   33.245  358.387   10.322  332.587   7.3762 25.80014 12.68639 
1 1 1   16    9   37 o  146.235   4.3752  145.430   8.6614  149.700   12.102  140.945   12.402  148.449   6.0157  144.021   6.3545 4.427887 8.750362 
1 1 1   16    9   38 o  198.207   4.3788  267.183   11.729  292.395   16.700  242.641   16.477  207.465   5.9402  188.949   6.4350 18.51587 8.757609 
1 1 1   16    9   39 o  145.704   4.4140  144.166   8.7090  141.632   12.049  146.938   12.603  144.370   6.1585  147.037   6.3250 -2.667618 8.827987 
1 1 1   16    9   40 o  295.342   4.8670  592.844   19.449  639.849   27.895  548.378   27.131  306.754   6.7104  283.930   7.0514 22.82413 9.734045 
1 1 1   16    9   41 o  102.459   4.9595   71.519   6.8760   74.414   9.6084   68.482   9.8443  104.601   6.7785  100.318   7.2414 4.282356 9.918961 
1 1 1   16    9   42 o  251.317   5.5473  438.678   18.032  461.291   22.712  400.114   29.660  260.466   6.4346  242.168   9.0380 18.29730 11.09462 
1 1 1   16    9   43 o   77.541   6.2608   39.362   6.4156   29.500   8.2527   54.427   10.199   65.735   9.2643   89.347   8.4239 -23.61157 12.52162 
1 1 1   16    9   44 o  307.944   7.1230  645.528   29.725   0.0000   0.0000  645.528   29.725  ?   ?   307.944   7.1230      ?      ? 
1 1 1   16    9   45 o  107.945   5.0440   79.235   7.3734   75.729   10.226   83.032   10.642  105.459   7.1554  110.430   7.1111 -4.971100 10.08798 
1 1 1   16    9   46 o  217.586   4.5279  322.108   13.346  321.399   18.627  322.856   19.132  217.351   6.3242  217.821   6.4817 -0.4699249 9.055788 
1 1 1   16    9   47 o  150.038   5.9372  156.910   10.952  161.664   13.106  145.907   19.938  154.136   6.2747  145.941   10.081 8.194901 11.87447 
1 1 1   16    9   48 o  110.159   6.4741   82.612   8.7621   82.047   10.380   84.012   16.343  109.730   6.9805  110.588   10.905 -0.8573608 12.94811 
1 1 1   16    9   49 o  181.344   4.5102  223.624   11.075  212.535   15.342  235.688   16.003  176.653   6.4089  186.035   6.3477 -9.382202 9.020391 
1 1 1   16    9   50 o  102.994   5.0818   72.378   7.0921   71.088   9.9898   73.689   10.070  102.065   7.2227  103.923   7.1505 -1.857437 10.16350 
1 1 1   16    9   51 o  128.318   4.7247  112.206   8.2005  103.046   11.417  121.969   11.786  122.891   6.8556  133.746   6.5031 -10.85566 9.449324 
1 1 1   16    9   52 o  161.318   8.9501  178.633   19.566  178.633   19.566   0.0000   0.0000  161.318   8.9501  ?   ?       ?      ? 
1 1 1   16    9   53 o   53.533   8.9482   21.919   6.4538   13.815   10.898   26.296   8.0092   45.273   15.126   61.793   9.5646 -16.52035 17.89639 
1 1 1   16    9   54 o   56.138   8.9186   24.261   6.6067   15.609   11.023   29.112   8.2534   47.285   15.177   64.991   9.3713 -17.70504 17.83714 
1 1 1   16    9   55 o  174.847   5.5776  208.692   12.521  213.779   21.572  206.107   15.375  176.082   9.0405  173.612   6.5353 2.469193 11.15526 
1 1 1   16    9   56 o  119.023   4.8776   96.996   7.8586   90.838   10.963  103.505   11.271  115.115   7.0279  122.931   6.7655 -7.816628 9.755185 
1 1 1   16    9   57 o   76.800   5.8701   40.764   6.0305   32.739   8.3621   49.461   8.7050   68.793   8.9698   84.807   7.5745 -16.01334 11.74018 
1 1 1   16    9   58 o   77.175   5.9622   41.168   6.1724   33.845   8.5314   49.211   8.9412   69.865   9.0111   84.485   7.8097 -14.61956 11.92438 
1 1 1   16    9   59 o  122.731   4.8585  103.739   8.0679  108.713   11.307   98.580   11.516  125.794   6.6326  119.668   7.1011 6.126259 9.716907 
1 1 1   16    9   60 o  123.282   5.6525  102.058   9.0425   94.764   11.109  116.382   15.567  117.269   6.9905  129.295   8.8846 -12.02626 11.30499 
1 1 1   16    9   61 o   90.527   6.4594   56.477   7.6492   54.242   9.5578   60.458   12.757   88.404   7.9782   92.649   10.161 -4.245773 12.91889 
1 1 1   16    9   62 o   51.785   8.1935   19.748   5.6430   15.228   7.7445   24.863   8.2393   45.219   12.309   58.351   10.818 -13.13211 16.38692 
1 1 1   16    9   63 o   96.583   6.9974   62.288   8.3312   57.402   9.7585   75.423   16.000   90.740   7.9360  102.427   11.527 -11.68728 13.99475 
1 1 1   16    9   64 o  161.445   6.2265  187.417   12.441  193.980   15.013  173.026   22.230  167.371   6.6191  155.518   10.548 11.85272 12.45292 
1 1 1   16    9   65 o   36.705   8.8098   9.3782   5.3583   12.155   7.3882   6.2965   7.7828   40.391   12.351   33.018   12.566 7.373016 17.61954 
1 1 1   16    9   66 o   79.864   5.9044   44.357   6.3348   37.323   8.4572   53.348   9.5618   72.660   8.5891   87.068   8.1040 -14.40820 11.80880 
1 1 1   16    9   67 o   56.015   7.7274   24.081   5.6290   28.886   7.5294   17.992   8.4756   63.792   8.7099   48.238   12.767 15.55375 15.45473 
1 1 1   16    9   68 o   50.838   9.0826   21.659   7.0994   7.3042   11.647   30.147   8.9556   37.189   14.998   64.487   10.248 -27.29816 18.16521 
1 1 1   16    9   69 o   38.915   9.4945   11.186   6.2965   6.4019   9.9701   14.360   8.1210   34.794   13.932   43.035   12.903 -8.240555 18.98909 
1 1 1   16    9   70 o   45.271   9.6290   16.422   6.4381   13.607   10.092   18.355   8.3604   42.151   14.548   48.392   12.618 -6.241398 19.25794 
1 1 1   16    9   71 o   89.462   7.2252   61.252   8.2157   48.043   13.122   69.768   10.537   79.782   12.137   99.142   7.8425 -19.35960 14.45032 
1 1 1   16    9   72 o   31.761   8.7346   2.5528   5.9178   12.689   9.1776  -4.6609   7.7423   40.560   13.879   22.961   10.609 17.59945 17.46923 
1 1 1   16    9   73 f   67.965   8.6679   37.888   7.3219   27.722   11.742   44.356   9.3657   57.609   14.922   78.320   8.8244 -20.71070 17.33572 
1 1 1   16    9   74 o   52.359   10.706   22.639   8.1804   16.244   10.896   30.900   12.384   44.341   15.123   60.377   15.158 -16.03527 21.41213 
1 1 1   16    9   75 o   21.889   10.446  -8.9690   8.6412  -8.9690   8.6412   0.0000   0.0000   21.889   10.446  ?   ?       ?      ? 
1 1 1   16   10    0 o  201.652   5.1895  282.108   13.653  302.235   17.491  250.716   21.844  211.106   6.1141  192.198   8.3869 18.90852 10.37892 
1 1 1   16   10    1 o  236.663   5.3343  383.016   16.411  390.953   20.608  369.255   27.134  240.089   6.3340  233.236   8.5849 6.853256 10.66869 
1 1 1   16   10    2 o  228.247   5.2214  349.354   15.462  339.674   19.139  367.546   26.238  223.789   6.3109  232.704   8.3203 -8.915161 10.44289 
1 1 1   16   10    3 o  242.628   5.3244  399.284   16.748  398.876   20.840  400.027   28.141  242.505   6.3415  242.752   8.5546 -0.2475433 10.64875 
1 1 1   16   10    4 o  283.652   6.7178  544.649   25.696  563.891   38.561  529.280   34.463  288.116   9.8764  279.188   9.1090 8.929016 13.43564 
1 1 1   16   10    5 o  373.854   7.6036  950.159   38.457  946.383   55.978  953.534   52.923  373.116   11.071  374.593   10.426 -1.476318 15.20728 
1 1 1   16   10    6 o  292.311   5.7176  587.095   21.617  604.942   27.051  555.558   35.959  298.616   6.6847  286.006   9.2778 12.61081 11.43512 
1 1 1   16   10    7 o  173.624   4.3035  204.932   10.100  213.100   13.980  196.016   14.607  177.259   5.8201  169.990   6.3409 7.268951 8.606986 
1 1 1   16   10    8 o  129.211   5.7476  104.574   7.3338  100.872   7.9273  126.554   19.317  121.973   4.7960  136.449   10.447 -14.47640 11.49518 
1 1 1   16   10    9 o  616.612   8.8127  2571.46   62.463  2556.69   71.343  2619.97  129.278  613.596   8.5799  619.627   15.396 -6.030884 17.62544 
1 1 1   16   10   10 o  184.983   5.5647  234.994   10.685  236.520   11.810  228.113   25.084  186.771   4.6660  183.194   10.104 3.577148 11.12945 
1 1 1   16   10   11 o  150.615   5.7509  162.381   8.6918  166.790   9.5763  141.764   20.706  156.844   4.5055  144.387   10.583 12.45692 11.50184 
1 1 1   16   10   12 o  184.241   5.4315  231.925   10.498  232.792   11.629  228.113   24.394  185.290   4.6315  183.191   9.8262 2.099075 10.86305 
1 1 1   16   10   13 o  260.132   5.6170  453.442   15.913  449.395   17.782  469.716   35.657  257.421   5.0976  262.844   10.011 -5.422302 11.23394 
1 1 1   16   10   14 o  394.945   7.0659  1091.98   35.299  1156.01   43.542  969.213   60.292  412.608   7.7872  377.282   11.793 35.32611 14.13173 
1 1 1   16   10   15 o  593.566   8.5964  2407.90   58.907  2415.04   67.563  2385.25  120.288  596.252   8.3617  590.881   15.022 5.370544 17.19280 
1 1 1   16   10   16 o  232.801   5.4644  358.271   13.646  352.261   15.145  384.204   31.460  227.907   4.9039  237.695   9.7669 -9.787796 10.92885 
1 1 1   16   10   17 o  154.884   6.8369  163.844   14.271  171.486   19.482  154.996   20.963  158.833   9.0514  150.935   10.249 7.898285 13.67384 
1 1 1   16   10   18 o  435.274   6.9689  1284.74   34.410  1281.39   39.109  1296.25   72.408  434.485   6.6422  436.062   12.253 -1.577087 13.93779 
1 1 1   16   10   19 o  319.471   6.2935  685.271   24.814  673.426   29.404  714.580   46.251  314.946   6.8895  323.995   10.534 -9.049622 12.58696 
1 1 1   16   10   20 o  377.343   6.4122  954.620   27.132  944.195   30.631  992.593   58.460  372.999   6.0600  381.686   11.302 -8.686768 12.82449 
1 1 1   16   10   21 o  123.307   5.8248  104.850   7.0151  105.535   7.6382  101.156   17.733  124.745   4.5184  121.869   10.738 2.875565 11.64954 
1 1 1   16   10   22 o  187.736   5.4085  239.323   10.731  239.241   11.902  239.680   24.805  187.811   4.6765  187.663   9.7537 0.1480713 10.81690 
1 1 1   16   10   23 o  369.196   6.3655  917.448   26.401  909.873   29.847  944.692   56.601  366.129   6.0156  372.263   11.220 -6.134094 12.73094 
1 1 1   16   10   24 o  278.773   5.8336  542.131   18.014  552.779   20.401  504.453   38.376  285.428   5.2744  272.118   10.407 13.31000 11.66719 
1 1 1   16   10   25 o  228.632   5.6154  363.616   13.928  369.387   15.643  341.544   30.595  233.339   4.9472  223.925   10.083 9.414749 11.23087 
1 1 1   16   10   26 f  276.691   5.6972  514.620   17.431  510.354   19.587  530.861   38.214  274.242   5.2705  279.140   10.102 -4.898071 11.39450 
1 1 1   16   10   27 o  197.990   5.4175  263.867   11.576  262.180   12.906  270.817   26.188  196.580   4.8447  199.400   9.6915 -2.820145 10.83499 
1 1 1   16   10   28 o  175.524   6.2366  206.829   14.494  197.000   18.424  222.786   23.477  170.199   7.9883  180.849   9.5794 -10.65054 12.47311 
1 1 1   16   10   29 o  236.167   6.5070  374.557   20.484  352.483   26.357  408.225   32.552  227.584   8.5463  244.749   9.8146 -17.16479 13.01404 
1 1 1   16   10   30 o  176.277   5.7421  210.977   13.717  210.977   13.717   0.0000   0.0000  176.277   5.7421  ?   ?       ?      ? 
1 1 1   16   10   31 o  268.412   5.7567  484.704   16.991  480.818   19.057  499.769   37.522  266.148   5.2839  270.675   10.229 -4.527069 11.51349 
1 1 1   16   10   32 o  358.179   5.2635  872.412   25.538  906.258   36.328  839.345   35.907  365.064   7.3432  351.294   7.5428 13.77023 10.52694 
1 1 1   16   10   33 f  232.040   4.5112  366.006   14.179  374.374   19.922  357.416   20.185  234.741   6.2628  229.339   6.4947 5.401688 9.022402 
1 1 1   16   10   34 o  510.511   6.5676  1774.46   45.400  1719.12   62.714  1835.39   65.809  502.183   9.2155  518.838   9.3599 -16.65451 13.13518 
1 1 1   16   10   35 o  349.933   6.5625  851.037   29.529  781.812   49.289  889.792   36.879  338.240   10.753  361.626   7.5256 -23.38620 13.12509 
1 1 1   16   10   36 o  237.789   5.6898  387.817   17.329  376.321   29.618  393.800   21.367  234.893   9.3049  240.686   6.5511 -5.792755 11.37968 
1 1 1   16   10   37 o  153.620   8.0639  160.722   16.787   0.0000   0.0000  160.722   16.787  ?   ?   153.620   8.0639      ?      ? 
1 1 1   16   10   38 o  134.527   5.2875  126.585   9.2159  136.621   11.733  110.421   14.890  141.783   6.1068  127.272   8.6336 14.51104 10.57502 
1 1 1   16   10   39 o  180.794   4.4345  221.621   10.850  209.338   14.907  235.459   15.823  175.481   6.2688  186.107   6.2738 -10.62567 8.868948 
1 1 1   16   10   40 o  241.183   4.5875  395.842   14.983  410.618   21.105  380.827   21.274  245.744   6.3374  236.622   6.6347 9.122162 9.175095 
1 1 1   16   10   41 o  203.565   4.4946  281.083   12.382  263.518   17.046  300.706   18.016  196.846   6.3901  210.285   6.3223 -13.43953 8.989198 
1 1 1   16   10   42 f   87.494   5.3366   52.253   6.3049   47.068   8.8948   57.490   8.9384   83.100   7.8986   91.888   7.1782 -8.787704 10.67311 
1 1 1   16   10   43 o  104.991   4.9440   75.164   7.0189   80.787   9.9215   69.531   9.9310  108.947   6.7202  101.035   7.2533 7.911911 9.887930 
1 1 1   16   10   44 o   97.332   7.1255   64.535   9.3985   64.535   9.3985   0.0000   0.0000   97.332   7.1255  ?   ?       ?      ? 
1 1 1   16   10   45 o   95.074   5.1596   61.648   6.6422   58.862   9.4000   64.426   9.3869   92.914   7.4656   97.233   7.1240 -4.319542 10.31922 
1 1 1   16   10   46 o   98.184   5.1448   65.776   6.8323   70.935   9.7177   60.732   9.6079  102.014   7.0294   94.353   7.5143 7.660980 10.28968 
1 1 1   16   10   47 o  196.729   5.8019  250.596   13.982  233.643   16.316  297.455   27.126  185.185   6.5018  208.273   9.6112 -23.08800 11.60380 
1 1 1   16   10   48 o  164.129   5.9128  182.167   11.922  179.253   14.091  189.505   22.363  162.179   6.4118  166.079   9.9366 -3.900330 11.82565 
1 1 1   16   10   49 o  103.078   5.1983   72.529   7.2358   81.094   10.421   64.557   10.054  108.982   7.0564   97.174   7.6353 11.80763 10.39666 
1 1 1   16   10   50 o  134.962   5.8905  125.633   10.134  122.520   17.494  127.205   12.433  133.424   9.6755  136.500   6.7216 -3.075790 11.78109 
1 1 1   16   10   51 f  164.646   5.6438  183.709   11.863  192.152   20.779  179.626   14.449  167.114   9.1753  162.178   6.5746 4.936630 11.28766 
1 1 1   16   10   52 f  143.676   4.7638  141.138   9.2739  137.914   13.064  144.413   13.167  142.012   6.7885  145.340   6.6852 -3.327774 9.527650 
1 1 1   16   10   53 o  244.686   5.7573  409.146   18.120  419.377   31.100  403.888   22.295  246.446   9.3122  242.926   6.7725 3.520248 11.51455 
1 1 1   16   10   54 o   65.269   8.4744   37.834   7.0101   9.6698   11.380   55.056   8.8990   40.975   15.281   89.563   7.3321 -48.58814 16.94873 
1 1 1   16   10   55 o  115.400   4.9461   91.075   7.6697   75.822   10.516  108.410   11.211  105.029   7.3885  125.772   6.5775 -20.74382 9.892143 
1 1 1   16   10   56 o   99.460   5.2671   68.224   7.0835   70.342   9.8000   65.907   10.250  101.141   7.1502   97.778   7.7359 3.362411 10.53416 
1 1 1   16   10   57 o   58.083   8.2058   21.144   6.2398   11.527   7.6382   40.437   10.819   40.241   12.601   75.925   10.515 -35.68410 16.41162 
1 1 1   16   10   58 o   44.091   8.5769   14.217   5.3099   12.187   7.3526   16.430   7.6765   40.998   12.274   47.185   11.983 -6.187347 17.15370 
1 1 1   16   10   59 o   73.689   6.1018   37.812   6.0887   35.841   8.4913   39.898   8.7353   71.688   8.7407   75.691   8.5163 -4.003395 12.20352 
1 1 1   16   10   60 o   41.249   8.7805   12.472   5.3123   11.898   7.4701   13.058   7.5560   40.411   12.430   42.088   12.405 -1.677063 17.56103 
1 1 1   16   10   61 o   90.912   5.6136   57.539   6.8734   49.417   9.5109   66.418   9.9445   84.070   8.3482   97.754   7.5070 -13.68390 11.22710 
1 1 1   16   10   62 o   61.542   7.3990   28.219   5.8059   37.909   8.2084   18.518   8.2133   73.564   8.2339   49.520   12.296 24.04391 14.79801 
1 1 1   16   10   63 o   34.245   8.5715   6.9879   5.1223   3.2863   6.8072   11.820   7.7775   28.472   11.472   40.018   12.738 -11.54526 17.14298 
1 1 1   16   10   64 o   29.416   8.8869   1.9481   5.6751   2.8497   6.5336  -0.8223   11.453   27.523   11.186   31.309   13.812 -3.785934 17.77383 
1 1 1   16   10   65 o   65.094   6.8197   29.885   5.9621   25.281   7.9174   35.917   9.0613   59.318   9.8495   70.870   9.4351 -11.55199 13.63943 
1 1 1   16   10   66 o   41.248   8.7746   12.775   6.1753   1.6962   9.5844   20.640   8.0749   30.499   13.046   51.997   11.738 -21.49760 17.54916 
1 1 1   16   10   67 o   76.535   7.8985   45.472   7.4945   35.109   11.765   52.548   9.7222   67.059   13.415   86.011   8.3412 -18.95202 15.79696 
1 1 1   16   10   68 o   63.289   8.8594   34.238   7.2101   17.894   11.417   45.080   9.2989   47.147   15.470   79.432   8.6388 -32.28496 17.71873 
1 1 1   16   10   69 o   45.987   12.622   16.627   8.1045   0.0000   0.0000   16.627   8.1045  ?   ?    45.987   12.622      ?      ? 
1 1 1   16   10   70 o   29.263   8.7239   2.5048   5.9163   0.6368   9.0998   3.8726   7.7867   28.701   12.496   29.826   12.177 -1.125408 17.44785 
1 1 1   16   10   71 f   34.286   14.097   5.8136   10.527   5.8136   10.527   0.0000   0.0000   34.286   14.097  ?   ?       ?      ? 
1 1 1   16   11    0 o  174.587   6.2296  214.015   12.827  221.810   14.996  192.768   24.759  180.822   6.1198  168.352   10.853 12.47050 12.45927 
1 1 1   16   11    1 f  609.844   9.3521  2546.44   72.380  2569.37   88.308  2499.50  126.340  614.667   10.602  605.020   15.410 9.647217 18.70429 
1 1 1   16   11    2 o  283.215   4.8393  544.249   18.565  541.599   25.861  547.067   26.669  282.510   6.7550  283.921   6.9314 -1.410950 9.678589 
1 1 1   16   11    3 o  180.146   4.4218  219.662   10.779  210.942   14.764  229.616   15.774  176.329   6.1785  183.963   6.3274 -7.633667 8.843627 
1 1 1   16   11    4 o  144.745   4.4983  142.096   8.7972  141.383   11.975  142.931   12.967  144.358   6.1212  145.132   6.5931 -0.7732544 8.996579 
1 1 1   16   11    5 o  381.257   5.4908  986.487   28.350  1038.28   40.551  936.974   39.650  391.051   7.6521  371.462   7.8766 19.58905 10.98167 
1 1 1   16   11    6 o  142.500   4.4728  139.005   8.5596  154.988   11.854  121.591   12.373  151.151   5.7872  133.848   6.8215 17.30330 8.945618 
1 1 1   16   11    7 o  215.281   4.4730  315.296   13.014  337.446   18.240  292.331   18.572  223.016   6.0354  207.546   6.6034 15.47006 8.946036 
1 1 1   16   11    8 o  284.347   6.1321  534.398   21.268  516.052   24.906  583.797   40.869  275.746   6.6652  292.949   10.295 -17.20355 12.26412 
1 1 1   16   11    9 o   51.356   9.3162   21.615   6.0675   24.962   6.6970   6.2798   14.334   60.619   8.1524   42.093   16.754 18.52661 18.63247 
1 1 1   16   11   10 o  327.669   6.4159  706.776   25.831  677.189   30.351  784.530   49.202  315.827   7.0914  339.510   10.694 -23.68341 12.83171 
1 1 1   16   11   11 o   88.811   7.3801   54.167   7.2685   54.538   8.2078   52.820   15.647   89.634   6.7573   87.987   13.123 1.646454 14.76018 
1 1 1   16   11   12 f  212.147   6.8264  306.397   19.582  310.602   26.924  301.675   28.532  213.723   9.2962  210.570   9.9991 3.152802 13.65285 
1 1 1   16   11   13 o  222.124   5.5997  337.812   13.356  339.511   14.907  330.901   30.069  223.732   4.9167  220.517   10.062 3.215088 11.19931 
1 1 1   16   11   14 o  269.347   5.7672  497.798   17.009  501.222   19.118  484.801   37.252  271.821   5.1901  266.872   10.301 4.949554 11.53436 
1 1 1   16   11   15 o  123.825   5.6965   96.832   7.0394   93.581   7.6311  115.391   18.234  117.461   4.7941  130.188   10.335 -12.72673 11.39293 
1 1 1   16   11   16 o  207.306   5.4017  282.629   11.951  277.046   13.233  307.318   27.827  202.100   4.8319  212.512   9.6627 -10.41246 10.80344 
1 1 1   16   11   17 o  197.193   5.4259  260.013   11.383  257.483   12.622  271.034   26.344  194.833   4.7807  199.553   9.7419 -4.720627 10.85175 
1 1 1   16   11   18 o   97.187   7.1893   73.425   6.2188   77.008   6.7357   52.731   16.186  106.552   4.6649   87.822   13.601 18.73045 14.37855 
1 1 1   16   11   19 o  274.950   5.7590  510.699   17.377  508.431   19.492  519.481   38.357  273.740   5.2547  276.160   10.250 -2.420532 11.51798 
1 1 1   16   11   20 o  311.472   6.0081  656.195   20.704  653.562   23.294  666.095   45.173  310.328   5.5392  312.616   10.663 -2.288574 12.01611 
1 1 1   16   11   21 o  528.417   8.3639  1902.60   55.292  1896.97   66.439  1915.31   99.724  527.900   9.2873  528.933   13.913 -1.033325 16.72785 
1 1 1   16   11   22 o  204.189   5.7664  288.426   13.736  293.342   15.888  273.879   27.331  207.888   5.6396  200.489   10.060 7.398804 11.53274 
1 1 1   16   11   23 o  156.985   5.9980  179.166   10.512  189.303   12.069  147.295   21.400  167.013   5.3325  146.957   10.746 20.05582 11.99606 
1 1 1   16   11   24 o  255.305   5.6302  437.666   15.765  433.771   17.661  452.938   34.973  252.822   5.1549  257.789   10.011 -4.967514 11.26032 
1 1 1   16   11   25 o  377.602   6.8611  967.524   32.282  961.231   38.631  982.090   58.775  375.993   7.5819  379.210   11.437 -3.216370 13.72218 
1 1 1   16   11   26 o  147.903   5.8795  146.585   10.327  144.195   11.954  153.615   20.504  145.714   6.0539  150.093   10.081 -4.379730 11.75905 
1 1 1   16   11   27 o  113.161   6.4872   88.262   8.3551   89.151   9.5408   85.337   17.305  114.566   6.1453  111.755   11.427 2.811554 12.97437 
1 1 1   16   11   28 o  193.681   5.6062  263.179   11.656  268.539   13.063  242.239   25.820  198.924   4.8459  188.438   10.111 10.48605 11.21250 
1 1 1   16   11   29 o  257.382   5.7254  451.730   16.251  452.346   18.288  449.417   35.429  258.137   5.2280  256.626   10.188 1.510834 11.45089 
1 1 1   16   11   30 o  125.109   5.8843  103.904   7.6355  102.464   8.3968  110.781   18.351  122.862   5.0433  127.356   10.633 -4.493881 11.76865 
1 1 1   16   11   31 o  103.575   6.7283   68.907   6.8269   67.112   7.3820   79.516   17.943   99.413   5.4796  107.735   12.290 -8.322090 13.45654 
1 1 1   16   11   32 o  176.905   4.9311  212.436   11.821  212.436   11.821   0.0000   0.0000  176.905   4.9311  ?   ?       ?      ? 
1 1 1   16   11   33 o  204.529   6.0361  284.244   16.730  284.244   16.730   0.0000   0.0000  204.529   6.0361  ?   ?       ?      ? 
1 1 1   16   11   34 o  273.328   9.4596  509.835   35.038  509.835   35.038   0.0000   0.0000  273.328   9.4596  ?   ?       ?      ? 
1 1 1   16   11   35 o  136.561   6.8627  126.852   12.700  126.852   12.700   0.0000   0.0000  136.561   6.8627  ?   ?       ?      ? 
1 1 1   16   11   36 o  181.638   4.4267  224.071   10.891  216.500   15.125  232.223   15.694  178.455   6.2543  184.821   6.2662 -6.365311 8.853309 
1 1 1   16   11   37 o  138.708   4.4819  130.873   8.4211  133.034   11.806  128.633   12.016  139.883   6.2278  137.533   6.4471 2.350052 8.963875 
1 1 1   16   11   38 o   85.210   5.3319   49.367   6.1407   44.571   8.5069   54.586   8.8733   80.883   7.7613   89.537   7.3130 -8.654762 10.66385 
1 1 1   16   11   39 f  119.925   4.6478   97.945   7.5460  101.563   10.586   94.206   10.759  122.193   6.3930  117.658   6.7481 4.534874 9.295559 
1 1 1   16   11   40 f  193.088   4.4887  253.894   11.733  262.500   16.427  244.929   16.765  196.454   6.1702  189.723   6.5208 6.731354 8.977375 
1 1 1   16   11   41 o  144.757   4.5223  142.740   8.8563  152.402   12.537  133.115   12.513  149.673   6.1811  139.841   6.6029 9.831116 9.044517 
1 1 1   16   11   42 o   87.749   5.3759   52.586   6.3685   46.990   8.9457   58.336   9.0684   82.983   7.9551   92.516   7.2332 -9.533470 10.75186 
1 1 1   16   11   43 o  151.182   4.5101  155.212   9.2235  142.985   12.715  168.790   13.399  144.903   6.4754  157.461   6.2796 -12.55713 9.020226 
1 1 1   16   11   44 o  222.322   4.5850  336.739   13.810  337.626   19.317  335.811   19.750  222.637   6.4028  222.008   6.5646 0.6291046 9.170035 
1 1 1   16   11   45 o  136.920   4.6584  127.839   8.6258  138.569   12.298  117.449   12.102  142.605   6.3638  131.236   6.8048 11.36951 9.316849 
1 1 1   16   11   46 o  184.150   5.5531  236.201   13.184  217.253   21.882  247.000   16.520  177.960   9.0736  190.340   6.4046 -12.38017 11.10626 
1 1 1   16   11   47 o   55.105   10.854   20.107   8.6133   12.049   11.066   32.492   13.719   43.519   15.222   66.690   15.478 -23.17076 21.70898 
1 1 1   16   11   48 o  104.215   7.1289   75.951   8.7510   77.068   10.174   72.778   17.155  106.178   7.0711  102.252   12.381 3.926010 14.25782 
1 1 1   16   11   49 o   98.541   5.2958   66.571   7.0626   70.345   9.9770   62.781   9.9992  101.375   7.2625   95.708   7.7097 5.667259 10.59164 
1 1 1   16   11   50 f   56.404   7.8161   22.990   5.8057   16.009   8.2452   29.854   8.1763   47.012   12.660   65.795   9.1702 -18.78347 15.63225 
1 1 1   16   11   51 o  116.071   5.0048   92.318   7.8712   90.780   11.028   93.915   11.238  115.087   7.0710  117.055   7.0847 -1.968147 10.00965 
1 1 1   16   11   52 o   99.660   5.3314   68.455   7.1788   72.972   10.027   63.703   10.283  103.110   7.1758   96.211   7.8870 6.899399 10.66285 
1 1 1   16   11   53 o   66.654   8.8399   31.816   7.7152   43.688   11.401   21.787   10.479   79.073   10.640   54.235   14.120 24.83787 17.67983 
1 1 1   16   11   54 o   58.493   8.3220   23.084   6.3878   33.789   10.443   16.683   8.0746   69.335   11.114   47.651   12.389 21.68441 16.64393 
1 1 1   16   11   55 o   86.022   5.7025   51.559   6.5743   42.942   9.2957   60.183   9.2994   78.628   8.7241   93.416   7.3459 -14.78883 11.40498 
1 1 1   16   11   56 o   43.407   8.6384   13.820   5.3009   14.955   7.6220   12.757   7.3771   45.015   12.193   41.799   12.240 3.216038 17.27673 
1 1 1   16   11   57 o   60.478   7.3448   26.175   5.8834   28.221   8.4168   24.220   8.2273   63.350   9.8043   57.607   10.939 5.742367 14.68964 
1 1 1   16   11   58 o   50.279   8.0621   18.877   5.3903   21.979   7.5074   15.576   7.7443   54.871   10.479   45.688   12.255 9.182846 16.12417 
1 1 1   16   11   59 o   56.486   7.6279   23.049   5.7128   20.072   7.8365   26.426   8.3456   51.957   11.440   61.016   10.093 -9.058769 15.25586 
1 1 1   16   11   60 o   36.638   8.7531   9.4213   5.1517   9.4802   7.0112   9.3522   7.5948   36.559   12.129   36.717   12.623 -0.1573944 17.50618 
1 1 1   16   11   61 o  105.115   5.2185   76.561   7.3858   65.396   10.037   89.747   10.907   96.697   7.6597  113.533   7.0895 -16.83591 10.43709 
1 1 1   16   11   62 o   61.521   6.8769   26.896   5.7113   25.073   7.6772   29.154   8.5466   59.258   9.5604   63.785   9.8877 -4.526878 13.75378 
1 1 1   16   11   63 o   73.901   8.4370   44.543   7.5010   26.874   11.720   56.800   9.7620   58.037   14.843   89.765   8.0251 -31.72770 16.87392 
1 1 1   16   11   64 o   30.595   9.3589   1.1374   6.9804   1.3319   8.9155   0.8292   11.221   29.327   12.564   31.863   13.874 -2.536041 18.71776 
1 1 1   16   11   65 o   33.764   9.8760   3.6714   7.3267   0.0515   9.4657   9.0813   11.572   29.008   12.684   38.520   15.141 -9.512644 19.75192 
1 1 1   16   11   66 o   63.492   8.4122   28.882   6.9376   39.184   11.473   22.944   8.7104   72.519   11.675   54.465   12.115 18.05408 16.82449 
1 1 1   16   11   67 o   23.954   7.8301  -4.9071   5.8242  -4.2363   9.2756  -5.3437   7.4832   25.756   11.794   22.152   10.302 3.603601 15.66015 
1 1 1   16   12    0 o  150.639   4.6770  151.594   9.4318  122.226   12.565  189.505   14.276  134.177   6.9103  167.100   6.3043 -32.92397 9.353930 
1 1 1   16   12    1 o  257.504   4.7279  450.389   16.470  483.955   23.413  417.510   23.172  267.022   6.4704  247.986   6.8954 19.03642 9.455810 
1 1 1   16   12    2 o  120.141   4.7972   97.933   7.7755   97.396   10.499   98.586   11.572  119.787   6.4675  120.495   7.0870 -0.7078629 9.594488 
1 1 1   16   12    3 o  398.277   5.6515  1077.19   30.487  1061.91   42.333  1093.66   43.941  395.356   7.9015  401.198   8.0823 -5.841858 11.30297 
1 1 1   16   12    4 o  197.565   4.5345  265.157   12.121  269.162   16.747  260.752   17.564  199.144   6.2058  195.986   6.6133 3.158005 9.069025 
1 1 1   16   12    5 o  340.397   6.7059  804.273   28.486  831.341   34.488  746.171   50.530  349.870   7.2742  330.925   11.268 18.94495 13.41171 
1 1 1   16   12    6 o  272.541   7.2200  503.843   26.607  479.323   36.197  532.667   39.245  265.371   10.065  279.711   10.354 -14.34048 14.43992 
1 1 1   16   12    7 f  242.128   5.8864  395.703   18.099  406.455   31.923  390.609   21.972  244.405   9.6386  239.851   6.7599 4.553925 11.77280 
1 1 1   16   12    8 o  255.651   4.6908  444.333   16.229  461.286   22.681  426.546   23.232  260.671   6.4208  250.631   6.8403 10.04015 9.381663 
1 1 1   16   12    9 o  194.531   5.7527  271.480   11.872  280.998   13.310  234.431   26.259  203.533   4.8256  185.528   10.445 18.00508 11.50540 
1 1 1   16   12   10 o  240.393   5.7562  407.148   15.106  417.681   17.049  368.664   32.587  248.128   5.0702  232.658   10.336 15.46976 11.51237 
1 1 1   16   12   11 o   48.139   9.3269   12.507   4.2620   11.482   4.4914   21.786   13.509   40.341   8.4849   55.938   16.612 -15.59683 18.65378 
1 1 1   16   12   12 o  235.329   5.9324  383.879   16.503  391.894   19.235  361.528   32.123  240.284   5.9072  230.375   10.290 9.909225 11.86470 
1 1 1   16   12   13 o  222.109   10.162  336.047   30.585   0.0000   0.0000  336.047   30.585  ?   ?   222.109   10.162      ?      ? 
1 1 1   16   12   14 o  204.265   5.8191  279.781   13.695  276.306   15.633  291.254   28.404  201.764   5.7175  206.767   10.137 -5.003143 11.63827 
1 1 1   16   12   15 o  130.016   6.2445  115.434   8.7247  115.701   9.7346  114.343   19.670  130.568   5.5017  129.465   11.212 1.102905 12.48893 
1 1 1   16   12   16 o  505.717   7.7723  1758.85   45.181  1771.92   51.783  1717.19   92.471  510.588   7.4840  500.845   13.624 9.743195 15.54465 
1 1 1   16   12   17 o  258.573   5.8453  463.053   16.447  468.855   18.475  440.900   36.104  262.851   5.1868  254.296   10.477 8.555267 11.69053 
1 1 1   16   12   18 o  130.750   6.0509  114.670   7.8328  113.909   8.5271  118.782   19.818  129.570   4.8564  131.930   11.085 -2.360153 12.10188 
1 1 1   16   12   19 o  175.146   5.6057  202.907   10.187  199.830   11.200  217.650   24.514  171.614   4.8160  178.678   10.124 -7.064575 11.21134 
1 1 1   16   12   20 o  125.016   6.1738  107.324   7.5705  107.750   8.2459  105.040   19.099  126.015   4.8288  124.017   11.364 1.997772 12.34764 
1 1 1   16   12   21 o  259.541   5.7882  453.675   16.257  450.612   18.140  466.175   36.648  257.665   5.1952  261.417   10.345 -3.752045 11.57631 
1 1 1   16   12   22 o  256.219   5.7691  447.146   16.089  447.431   18.020  446.030   35.725  256.749   5.1791  255.689   10.310 1.060165 11.53818 
1 1 1   16   12   23 o  107.926   6.4840   81.130   6.8372   81.941   7.4529   76.821   17.180  109.878   5.0053  105.974   11.963 3.903717 12.96790 
1 1 1   16   12   24 o  262.781   5.8170  479.311   16.821  486.179   18.980  454.161   36.320  267.617   5.2335  257.945   10.390 9.672516 11.63400 
1 1 1   16   12   25 o   88.909   5.4136   53.671   6.5225   53.671   6.5225   0.0000   0.0000   88.909   5.4136  ?   ?       ?      ? 
1 1 1   16   12   26 o  169.224   4.8777  194.367   11.186  194.367   11.186   0.0000   0.0000  169.224   4.8777  ?   ?       ?      ? 
1 1 1   16   12   27 f  315.644   5.6633  676.680   24.224  676.680   24.224   0.0000   0.0000  315.644   5.6633  ?   ?       ?      ? 
1 1 1   16   12   28 o  184.742   5.6672  228.620   11.045  226.424   12.217  238.441   25.835  182.633   4.9365  186.850   10.203 -4.216476 11.33440 
1 1 1   16   12   29 o  170.863   5.5287  188.852   10.068  183.083   11.119  215.125   23.728  164.219   4.9963  177.507   9.8643 -13.28862 11.05747 
1 1 1   16   12   30 o   36.427   9.7679   3.3258   4.9688   1.5299   5.3537   14.485   13.345   24.750   10.100   48.104   16.722 -23.35335 19.53571 
1 1 1   16   12   31 o  134.621   6.7186  142.089   9.0331  153.466   10.109   97.022   20.120  150.344   4.9619  118.897   12.488 31.44733 13.43720 
1 1 1   16   12   32 f   84.509   7.5250   44.780   7.7447   40.199   8.9538   58.391   15.433   76.783   8.6052   92.235   12.347 -15.45209 15.05004 
1 1 1   16   12   33 o  188.074   6.0741  249.382   13.968  261.422   16.739  221.774   25.347  196.083   6.2995  180.066   10.387 16.01688 12.14830 
1 1 1   16   12   34 o  164.373   5.9376  178.889   12.010  171.889   14.136  197.053   22.772  158.965   6.5623  169.782   9.8974 -10.81758 11.87527 
1 1 1   16   12   35 o  148.506   5.9623  155.165   9.4690  158.321   10.601  142.711   21.061  152.671   5.1239  144.341   10.768 8.329773 11.92455 
1 1 1   16   12   36 o   47.679   8.6694   19.736   5.7322   24.141   6.3099  -1.0724   13.713   59.511   7.8242   35.848   15.473 23.66349 17.33871 
1 1 1   16   12   37 o   66.289   9.1145   30.068   6.9857   29.276   8.0318   32.529   14.156   65.455   9.0550   67.123   15.821 -1.668121 18.22909 
1 1 1   16   12   38 o  104.311   6.9767   74.116   9.8620   74.116   9.8620   0.0000   0.0000  104.311   6.9767  ?   ?       ?      ? 
1 1 1   16   12   39 o  111.488   5.7074   84.535   8.6228   84.535   8.6228   0.0000   0.0000  111.488   5.7074  ?   ?       ?      ? 
1 1 1   16   12   40 o  187.291   6.0074  241.173   13.656  242.951   16.107  236.625   25.755  188.898   6.2922  185.684   10.235 3.214828 12.01473 
1 1 1   16   12   41 o   64.551   8.4851   35.585   6.5931   14.327   11.213   46.818   8.1509   46.265   15.338   82.837   7.2611 -36.57196 16.97023 
1 1 1   16   12   42 f  154.995   5.5591  167.716   11.083  152.396   18.419  176.412   13.877  149.095   9.1163  160.895   6.3646 -11.79980 11.11821 
1 1 1   16   12   43 o  162.113   4.5683  179.106   10.030  170.559   14.019  188.068   14.355  158.140   6.5419  166.085   6.3781 -7.945099 9.136549 
1 1 1   16   12   44 o   57.644   7.1251   23.292   5.3652   29.394   7.8094   17.837   7.3836   65.446   8.8053   49.842   11.204 15.60475 14.25021 
1 1 1   16   12   45 o  122.213   4.7665  101.897   7.8861   95.706   10.959  108.545   11.356  118.355   6.8331  126.072   6.6473 -7.717125 9.532966 
1 1 1   16   12   46 o  127.903   4.7256  111.828   8.1884  114.722   11.571  108.925   11.589  129.576   6.5897  126.230   6.7751 3.346283 9.451219 
1 1 1   16   12   47 o  144.440   6.2846  139.591   10.910  134.987   12.674  152.764   21.439  140.492   6.6569  148.387   10.662 -7.895248 12.56925 
1 1 1   16   12   48 o  197.095   6.4281  265.700   17.169  265.700   17.169   0.0000   0.0000  197.095   6.4281  ?   ?       ?      ? 
1 1 1   16   12   49 o  119.772   5.6051   99.599   8.8578  102.892   11.416   94.619   14.042  122.510   6.8763  117.034   8.8535 5.475616 11.21018 
1 1 1   16   12   50 o   82.071   5.7388   46.462   6.3655   42.137   8.9073   50.976   9.1000   78.113   8.4148   86.030   7.8057 -7.916817 11.47767 
1 1 1   16   12   51 o   91.030   5.7742   57.160   6.8874   39.450   9.3420   78.249   10.194   75.377   9.1457  106.683   7.0514 -31.30527 11.54841 
1 1 1   16   12   52 o  119.889   4.8912   98.911   7.9378   99.333   10.986   98.450   11.481  120.202   6.7447  119.577   7.0855 0.6247864 9.782393 
1 1 1   16   12   53 o   71.779   7.3209   35.657   6.9212   38.626   11.371   33.909   8.7232   73.850   11.363   69.708   9.2344 4.141754 14.64180 
1 1 1   16   12   54 o   79.979   7.1915   46.359   7.4136   40.117   12.021   50.190   9.4178   74.970   11.832   84.989   8.1773 -10.01858 14.38301 
1 1 1   16   12   55 o   95.687   5.4451   63.273   7.0098   53.463   9.5940   74.507   10.267   87.651   8.0772  103.723   7.3045 -16.07158 10.89015 
1 1 1   16   12   56 o   89.516   5.6255   56.066   6.7788   63.249   9.5818   48.868   9.5917   95.445   7.4082   83.587   8.4679 11.85802 11.25107 
1 1 1   16   12   57 o   46.792   8.4189   16.415   5.6497   9.1735   7.9646   23.749   8.0154   36.784   12.911   56.800   10.808 -20.01628 16.83787 
1 1 1   16   12   58 o  121.075   5.0984  102.148   8.3224  115.417   11.907   89.472   11.637  128.943   6.8140  113.206   7.5858 15.73783 10.19681 
1 1 1   16   12   59 o  120.367   6.3255   99.727   9.7071  111.336   17.247   94.345   11.744  124.553   10.218  116.182   7.4592 8.370827 12.65108 
1 1 1   16   12   60 o   60.848   8.9297   30.213   7.0038   19.883   11.384   36.505   8.8840   50.087   15.334   71.608   9.1551 -21.52134 17.85944 
1 1 1   16   12   61 o   91.572   7.1929   63.950   8.2774   48.570   13.389   73.464   10.531   80.891   12.214  102.253   7.5999 -21.36166 14.38575 
1 1 1   16   12   62 o   62.317   8.7710   29.237   6.9225   31.966   11.534   27.700   8.6547   63.807   13.745   60.827   10.900 2.979721 17.54195 
1 1 1   16   12   63 o   48.850   8.7388   19.685   6.6942   5.8208   10.697   28.611   8.5826   34.941   14.270   62.759   10.092 -27.81890 17.47753 
1 1 1   16   12   64 o   41.995   10.669   13.303   7.8310   15.711   10.144   9.7498   12.319   44.583   14.580   39.408   15.581 5.175282 21.33837 
1 1 1   16   13    0 o  230.203   5.5820  364.037   16.994  341.555   26.697  379.353   22.035  224.076   8.7919  236.330   6.8802 -12.25438 11.16399 
1 1 1   16   13    1 o  423.187   12.442  1223.17   71.352   0.0000   0.0000  1223.17   71.352  ?   ?   423.187   12.442      ?      ? 
1 1 1   16   13    2 o  517.716   8.1139  1825.52   54.233  1838.76   92.031  1818.48   67.126  518.615   13.095  516.817   9.5845 1.798523 16.22785 
1 1 1   16   13    3 o  169.884   5.3267  196.844   12.098  191.650   18.572  200.673   15.945  167.885   8.1631  171.882   6.8455 -3.996414 10.65350 
1 1 1   16   13    4 o   94.558   5.7546   60.523   7.3254   70.965   10.732   51.413   10.024  102.175   7.7506   86.940   8.5082 15.23566 11.50921 
1 1 1   16   13    5 o  232.117   4.6548  365.840   14.623  364.339   20.158  367.508   21.245  231.628   6.4221  232.607   6.7397 -0.9788513 9.309515 
1 1 1   16   13    6 o  249.716   4.7213  423.996   15.957  434.900   22.209  412.361   22.943  253.056   6.4764  246.376   6.8717 6.680573 9.442690 
1 1 1   16   13    7 f  310.033   5.0287  653.393   21.113  661.627   29.439  644.671   30.297  312.063   6.9613  308.002   7.2589 4.061127 10.05737 
1 1 1   16   13    8 o  101.619   5.0863   70.339   6.9202   71.275   9.1411   69.082   10.592  102.437   6.5850  100.801   7.7537 1.635735 10.17264 
1 1 1   16   13    9 o  285.858   5.9139  542.405   18.488  533.329   20.654  579.012   41.479  280.318   5.4370  291.399   10.504 -11.08102 11.82785 
1 1 1   16   13   10 o  120.539   7.0029  112.855   7.9195  119.402   8.6828   80.457   19.316  132.657   4.8300  108.420   13.147 24.23696 14.00587 
1 1 1   16   13   11 f  298.717   6.1240  629.981   20.465  648.839   23.331  567.066   42.614  309.164   5.5688  288.270   10.909 20.89468 12.24796 
1 1 1   16   13   12 o   78.849   7.8723   35.763   6.9235   31.483   7.6521   55.083   16.258   68.022   8.3013   89.676   13.378 -21.65407 15.74452 
1 1 1   16   13   13 o  237.418   6.1146  388.033   17.534  393.433   20.649  374.071   33.201  240.668   6.3313  234.168   10.463 6.500107 12.22916 
1 1 1   16   13   14 o  255.906   6.1476  444.205   19.086  442.163   22.431  449.561   36.330  255.115   6.4884  256.697   10.444 -1.582245 12.29519 
1 1 1   16   13   15 o  194.256   6.0719  259.136   14.006  261.601   16.316  252.232   27.305  196.253   6.1350  192.259   10.480 3.993942 12.14389 
1 1 1   16   13   16 o  246.678   6.0550  395.897   17.951  376.098   20.767  454.426   35.706  235.270   6.5136  258.086   10.209 -22.81607 12.11007 
1 1 1   16   13   17 o  380.223   6.7549  954.836   27.941  934.794   31.130  1037.90   63.373  370.954   6.1926  389.491   12.007 -18.53665 13.50971 
1 1 1   16   13   18 o  137.974   4.9134  129.202   9.1868  129.202   9.1868   0.0000   0.0000  137.974   4.9134  ?   ?       ?      ? 
1 1 1   16   13   19 o  135.112   4.8972  123.901   8.9665  123.901   8.9665   0.0000   0.0000  135.112   4.8972  ?   ?       ?      ? 
1 1 1   16   13   20 o  166.761   4.8764  188.749   11.020  188.749   11.020   0.0000   0.0000  166.761   4.8764  ?   ?       ?      ? 
1 1 1   16   13   21 o  142.222   6.1140  140.492   8.7131  141.840   9.5524  133.819   21.257  144.558   4.8763  139.887   11.214 4.671310 12.22791 
1 1 1   16   13   22 o   74.110   8.4723   37.128   5.7167   36.680   6.1514   39.969   15.481   73.470   6.1785   74.750   15.778 -1.279961 16.94460 
1 1 1   16   13   23 o  122.518   6.3195   99.315   7.7761   97.880   8.4795  106.906   19.500  120.065   5.2116  124.972   11.514 -4.906990 12.63894 
1 1 1   16   13   24 f  387.067   6.6664  999.817   28.802  983.130   32.421  1062.30   62.735  380.322   6.2905  393.812   11.755 -13.48999 13.33276 
1 1 1   16   13   25 o  199.718   5.8279  274.178   12.498  275.766   13.954  267.740   28.096  201.528   5.1097  197.907   10.476 3.621475 11.65576 
1 1 1   16   13   26 o  186.261   6.3168  251.121   14.070  270.851   16.791  204.600   25.783  199.617   6.2071  172.906   11.004 26.71120 12.63364 
1 1 1   16   13   27 o  198.787   6.1376  271.621   14.763  274.336   17.389  264.612   27.941  200.870   6.3882  196.705   10.482 4.165100 12.27513 
1 1 1   16   13   28 o  319.865   6.5331  683.978   25.697  664.884   30.306  732.825   48.472  312.558   7.1550  327.172   10.933 -14.61374 13.06611 
1 1 1   16   13   29 o  187.919   6.0698  232.706   13.646  224.034   15.787  258.329   27.136  181.502   6.4184  194.337   10.304 -12.83513 12.13965 
1 1 1   16   13   30 o  254.083   6.2554  449.644   19.536  462.995   23.370  418.674   35.595  260.877   6.6106  247.290   10.622 13.58665 12.51081 
1 1 1   16   13   31 o   50.691   10.023   15.173   5.5383   13.799   5.9943   23.186   14.476   44.038   10.239   57.343   17.235 -13.30553 20.04683 
1 1 1   16   13   32 o  148.771   5.9237  148.049   9.3893  146.250   10.412  155.878   21.721  146.716   5.2371  150.827   10.627 -4.110840 11.84750 
1 1 1   16   13   33 o  114.241   6.8538   93.905   7.9095   96.424   8.7320   82.394   18.667  119.111   5.4098  109.371   12.595 9.740257 13.70757 
1 1 1   16   13   34 o  228.367   6.1519  364.536   17.323  377.167   20.801  335.942   31.297  235.386   6.5210  221.349   10.434 14.03644 12.30387 
1 1 1   16   13   35 o   65.741   9.2672   38.826   6.4058   44.315   7.1622   16.877   14.321   80.672   6.5515   50.809   17.338 29.86276 18.53441 
1 1 1   16   13   36 o   56.830   9.4283   27.875   6.9727   33.906   7.9756   8.3159   14.363   70.439   8.3554   43.222   16.904 27.21746 18.85658 
1 1 1   16   13   37 o  201.569   5.9548  270.538   14.542  261.945   16.971  294.270   28.204  196.099   6.3864  207.038   10.052 -10.93941 11.90958 
1 1 1   16   13   38 o  108.095   7.1431   85.765   7.9634   89.129   8.8736   71.841   18.051  114.431   5.7223  101.759   13.090 12.67159 14.28620 
1 1 1   16   13   39 o  114.079   7.1401   93.823   8.2242   96.177   9.0770   83.033   19.435  118.858   5.6355  109.300   13.121 9.558075 14.28025 
1 1 1   16   13   40 o  135.063   6.0509  117.344   8.8885  112.490   9.8612  138.373   20.524  128.518   5.6622  141.608   10.695 -13.09007 12.10170 
1 1 1   16   13   41 o  209.777   5.7885  292.137   13.435  285.428   15.056  318.370   29.771  204.724   5.4269  214.830   10.226 -10.10640 11.57691 
1 1 1   16   13   42 o  147.351   6.6794  148.339   13.337  148.339   13.337   0.0000   0.0000  147.351   6.6794  ?   ?       ?      ? 
1 1 1   16   13   43 o   53.640   10.103   20.511   7.0746   20.511   7.0746   0.0000   0.0000   53.640   10.103  ?   ?       ?      ? 
1 1 1   16   13   44 o   83.503   6.8487   47.727   7.7499   47.727   7.7499   0.0000   0.0000   83.503   6.8487  ?   ?       ?      ? 
1 1 1   16   13   45 o  115.802   6.8170   91.855   10.698   91.855   10.698   0.0000   0.0000  115.802   6.8170  ?   ?       ?      ? 
1 1 1   16   13   46 o  126.801   6.5317  111.311   9.8727  111.322   11.510  111.279   19.207  127.460   6.6635  126.143   11.236 1.317345 13.06333 
1 1 1   16   13   47 o  137.041   6.2281  123.377   10.346  115.833   12.014  145.043   20.358  129.917   6.8237  144.165   10.421 -14.24794 12.45613 
1 1 1   16   13   48 o   39.562   8.3954   11.216   4.9420   8.5785   7.1880   13.580   6.8057   35.963   12.283   43.160   11.448 -7.197056 16.79084 
1 1 1   16   13   49 o  117.628   4.8763   95.243   7.7691   97.719   10.925   92.709   11.051  119.210   6.7627  116.046   7.0271 3.164101 9.752681 
1 1 1   16   13   50 o  161.997   4.5961  180.522   10.054  200.486   14.387  161.463   14.057  170.858   6.2137  153.137   6.7738 17.72070 9.192125 
1 1 1   16   13   51 o   44.976   8.4647   14.965   5.2514   14.644   7.4884   15.276   7.3663   44.505   12.099   45.447   11.842 -0.9422569 16.92939 
1 1 1   16   13   52 o   82.430   5.7593   47.430   6.2183   32.854   8.4974   64.236   9.1240   68.458   9.1597   96.401   6.9842 -27.94357 11.51867 
1 1 1   16   13   53 o  103.201   6.6469   79.654   8.5857   59.908   14.029   91.477   10.856   91.449   11.321  114.953   6.9689 -23.50348 13.29382 
1 1 1   16   13   54 o   75.068   7.2348   37.818   7.0700   48.746   12.256   32.368   8.6552   82.459   10.968   67.677   9.4374 14.78214 14.46951 
1 1 1   16   13   55 o  117.315   6.3168   98.837   9.4096   91.767   16.079  102.520   11.604  113.185   10.483  121.445   7.0511 -8.260254 12.63359 
1 1 1   16   13   56 o   67.192   8.7919   35.466   7.1854   28.795   12.467   38.784   8.7928   60.297   15.248   74.088   8.7579 -13.79068 17.58375 
1 1 1   16   13   57 o   54.825   9.5616   23.545   6.8243   22.248   11.747   24.206   8.3842   52.815   15.439   56.836   11.284 -4.021233 19.12319 
1 1 1   16   13   58 o   38.732   9.8267   10.271   6.2739   11.253   10.980   9.7950   7.6450   40.481   15.027   36.983   12.667 3.497551 19.65348 
1 1 1   16   13   59 o   69.134   8.6609   35.527   7.4975   37.709   12.925   34.420   9.2043   69.173   14.262   69.095   9.8302 0.7806396E-01 17.32183 
1 1 1   16   13   60 o  107.285   8.3160   83.795   11.952   69.211   15.788  103.371   18.291   96.289   12.100  118.281   11.412 -21.99220 16.63207 
1 1 1   16   14    0 o  184.836   10.036  232.946   25.137  232.946   25.137   0.0000   0.0000  184.836   10.036  ?   ?       ?      ? 
1 1 1   16   14    1 o  123.491   4.9560  103.301   8.2516  100.383   11.058  106.968   12.396  121.545   6.7134  125.436   7.2923 -3.891106 9.912030 
1 1 1   16   14    2 o   87.944   5.9558   55.235   6.7516   68.222   9.0648   39.055   10.118  100.201   6.6758   75.687   9.8650 24.51421 11.91154 
1 1 1   16   14    3 o  286.582   4.9675  558.627   19.273  568.606   26.827  547.981   27.708  289.252   6.8440  283.912   7.2017 5.340027 9.935002 
1 1 1   16   14    4 o  197.426   4.6473  264.995   12.399  267.057   16.955  262.625   18.179  198.274   6.3104  196.579   6.8240 1.695343 9.294584 
1 1 1   16   14    5 o   81.737   5.8943   44.317   6.4443   36.979   8.3948   54.845   10.056   73.705   8.4049   89.768   8.2661 -16.06306 11.78856 
1 1 1   16   14    6 f  296.688   7.2822  598.521   29.278   0.0000   0.0000  598.521   29.278  ?   ?   296.688   7.2822      ?      ? 
1 1 1   16   14    7 o  207.813   5.4797  293.975   14.538  294.327   17.802  293.269   25.191  208.141   6.3115  207.485   8.9595 0.6556854 10.95935 
1 1 1   16   14    8 o  143.242   5.7601  147.737   10.263  163.753   12.687  117.427   17.454  155.267   6.0299  131.216   9.8160 24.05164 11.52018 
1 1 1   16   14    9 o  158.078   4.9887  169.607   10.687  169.607   10.687   0.0000   0.0000  158.078   4.9887  ?   ?       ?      ? 
1 1 1   16   14   10 o  273.770   5.4229  508.884   20.119  508.884   20.119   0.0000   0.0000  273.770   5.4229  ?   ?       ?      ? 
1 1 1   16   14   11 o  176.867   5.0152  212.336   12.020  212.336   12.020   0.0000   0.0000  176.867   5.0152  ?   ?       ?      ? 
1 1 1   16   14   12 o  299.938   6.2191  633.807   20.747  650.561   23.580  576.376   43.658  309.508   5.6221  290.369   11.095 19.13882 12.43819 
1 1 1   16   14   13 o  208.749   5.9151  303.385   13.085  307.544   14.580  286.167   29.663  212.848   5.0548  204.651   10.696 8.197357 11.83027 
1 1 1   16   14   14 o  224.977   5.9690  350.102   14.217  353.408   15.820  336.219   32.418  228.159   5.1166  221.796   10.786 6.362473 11.93791 
1 1 1   16   14   15 o  223.384   6.0655  356.215   14.350  366.847   16.058  314.076   31.970  232.454   5.0977  214.313   11.008 18.14099 12.13102 
1 1 1   16   14   16 o   91.706   8.3532   64.114   6.6376   66.340   7.1758   50.920   17.469   98.839   5.3574   84.573   15.824 14.26579 16.70649 
1 1 1   16   14   17 o   60.301   9.5255   31.132   5.4549   33.322   5.8227   15.423   15.597   70.023   6.1361   50.579   18.036 19.44477 19.05105 
1 1 1   16   14   18 o  185.047   5.7264  224.848   11.136  220.152   12.272  246.739   26.496  180.071   5.0292  190.023   10.289 -9.951035 11.45272 
1 1 1   16   14   19 o  162.758   6.0999  184.472   10.157  186.596   11.200  174.638   24.102  165.780   4.9854  159.736   11.135 6.044739 12.19976 
1 1 1   16   14   20 o  155.740   6.1561  169.537   9.8955  171.899   10.945  158.960   23.161  159.109   5.0761  152.370   11.217 6.738403 12.31215 
1 1 1   16   14   21 f   82.648   7.6220   39.488   6.2067   36.640   6.6638   58.138   17.053   73.396   6.6998   91.901   13.693 -18.50433 15.24410 
1 1 1   16   14   22 o  135.900   6.1879  120.740   8.4737  118.259   9.2349  133.957   21.313  131.959   5.1643  139.841   11.247 -7.881882 12.37575 
1 1 1   16   14   23 o  100.526   7.7209   76.420   7.2151   79.574   7.8577   59.465   18.217  108.232   5.3574   92.819   14.483 15.41309 15.44176 
1 1 1   16   14   24 o   75.215   9.3892   46.188   6.3584   48.956   6.9124   30.968   16.210   84.861   6.0109   65.569   17.790 19.29182 18.77834 
1 1 1   16   14   25 o  154.055   6.0929  165.323   9.7799  167.316   10.840  156.605   22.673  156.951   5.0967  151.160   11.069 5.790619 12.18577 
1 1 1   16   14   26 o  224.012   5.8645  345.983   14.274  348.538   16.007  336.063   31.538  226.504   5.2149  221.521   10.506 4.982437 11.72904 
1 1 1   16   14   27 o   90.412   7.0349   49.903   6.6696   46.798   7.2864   65.952   16.565   82.931   6.4835   97.893   12.487 -14.96123 14.06977 
1 1 1   16   14   28 o  206.574   5.9187  300.800   13.197  307.451   14.827  275.431   28.958  212.721   5.1434  200.427   10.662 12.29356 11.83741 
1 1 1   16   14   29 o  120.662   6.6787  100.162   8.3607  100.474   9.2360   98.745   19.676  121.564   5.6065  119.761   12.124 1.803413 13.35747 
1 1 1   16   14   30 o   98.099   7.6018   68.006   8.3046   69.579   9.4391   62.620   17.471  101.061   6.8923   95.138   13.551 5.923042 15.20350 
1 1 1   16   14   31 o  212.481   6.1665  316.316   15.659  325.487   18.409  292.310   29.784  218.666   6.2126  206.297   10.654 12.36937 12.33294 
1 1 1   16   14   32 o  104.081   6.7974   67.402   7.4758   63.700   8.1968   85.714   18.230   96.719   6.2538  111.443   12.071 -14.72409 13.59489 
1 1 1   16   14   33 o   57.571   9.5832   25.634   6.0484   27.176   6.6434   18.163   14.622   63.074   7.7725   52.068   17.520 11.00642 19.16646 
1 1 1   16   14   34 o   85.495   9.2179   63.980   7.1760   70.876   7.9815   34.896   16.391  102.031   5.7726   68.959   17.509 33.07214 18.43584 
1 1 1   16   14   35 o  101.904   6.9977   71.741   7.4707   71.934   8.2774   70.891   17.350  102.758   5.9442  101.049   12.670 1.709129 13.99537 
1 1 1   16   14   36 o  117.923   6.2886   86.446   7.9382   81.336   8.7318  110.782   19.057  109.253   5.8978  126.594   11.109 -17.34112 12.57717 
1 1 1   16   14   37 o   84.165   7.4311   45.541   6.7272   43.513   7.4340   54.709   15.807   79.808   6.8738   88.522   13.177 -8.713943 14.86227 
1 1 1   16   14   38 f  165.368   6.4344  197.464   11.147  203.394   12.442  173.363   25.085  172.801   5.3135  157.936   11.721 14.86519 12.86882 
1 1 1   16   14   39 o  104.586   6.2369   74.693   8.8395   74.693   8.8395   0.0000   0.0000  104.586   6.2369  ?   ?       ?      ? 
1 1 1   16   14   40 o  254.223   5.5305  440.802   19.053  440.802   19.053   0.0000   0.0000  254.223   5.5305  ?   ?       ?      ? 
1 1 1   16   14   41 o   55.770   9.4253   26.916   6.3078   30.584   6.9896   10.820   14.643   66.723   7.7302   44.817   17.193 21.90674 18.85063 
1 1 1   16   14   42 o  152.700   6.1331  164.485   10.118  166.955   11.358  154.981   22.278  156.412   5.3584  148.988   11.034 7.423416 12.26623 
1 1 1   16   14   43 o   50.760   9.8359   17.753   5.8740   17.199   6.5153   20.158   13.577   48.851   10.172   52.669   16.838 -3.817429 19.67183 
1 1 1   16   14   44 o   89.676   7.5610   56.852   7.9864   57.466   9.2847   55.106   15.659   91.350   7.5003   88.003   13.131 3.346725 15.12201 
1 1 1   16   14   45 o   79.772   7.9654   41.373   7.6153   37.786   8.7486   52.591   15.471   73.796   8.7482   85.748   13.314 -11.95150 15.93079 
1 1 1   16   14   46 o  104.932   8.0897   78.412   11.146   80.134   14.231   75.679   17.928  107.021   9.8130  102.843   12.864 4.177551 16.17949 
1 1 1   16   14   47 o   59.239   8.4737   24.401   6.8024   24.401   6.8024   0.0000   0.0000   59.239   8.4737  ?   ?       ?      ? 
1 1 1   16   14   48 o   92.376   7.3913   58.855   7.2815   57.956   8.0873   62.702   16.733   91.724   6.5063   93.027   13.274 -1.302742 14.78251 
1 1 1   16   14   49 o   57.482   9.2852   19.184   5.7534   15.715   6.3093   36.310   14.018   46.284   10.322   68.680   15.437 -22.39536 18.57036 
1 1 1   16   14   50 o   51.132   11.100   20.278   8.3740   21.839   10.554   17.626   13.758   53.373   14.302   48.891   16.980 4.481590 22.20081 
1 1 1   16   14   51 o   88.568   6.9717   58.411   7.6008   48.274   13.219   63.417   9.2903   81.592   11.955   95.544   7.1753 -13.95233 13.94331 
1 1 1   16   14   52 o   53.675   10.777   21.338   7.5669   0.0000   0.0000   21.338   7.5669  ?   ?    53.675   10.777      ?      ? 
1 1 1   16   14   53 o  182.087   6.6784  230.292   16.479   0.0000   0.0000  230.292   16.479  ?   ?   182.087   6.6784      ?      ? 
1 1 1   16   14   54 o   72.751   9.0111   44.923   7.6804   27.008   13.157   54.184   9.4596   57.720   16.173   87.782   7.9521 -30.06178 18.02221 
1 1 1   16   14   55 o   93.939   6.8058   63.925   8.1718   61.111   13.875   65.419   10.111   91.421   11.200   96.456   7.7357 -5.035088 13.61160 
1 1 1   16   14   56 o   33.582   9.7337   4.2555   7.3794   8.8625   9.4634  -2.8916   11.787   36.928   13.903   30.237   13.627 6.691442 19.46741 
1 1 1   16   15    0 o  162.454   4.8751  180.035   10.669  185.449   14.456  173.558   15.811  165.181   6.4582  159.728   7.3047 5.453064 9.750230 
1 1 1   16   15    1 o  273.141   4.9910  508.341   18.439  530.909   25.705  484.418   26.465  279.436   6.7881  266.846   7.3185 12.58997 9.981964 
1 1 1   16   15    2 o  191.521   4.7731  250.252   12.328  259.759   16.826  239.235   18.113  195.499   6.3511  187.543   7.1270 7.956451 9.546262 
1 1 1   16   15    3 o   99.258   5.5536   66.434   7.4171   62.058   9.8084   72.279   11.335   95.493   7.5795  103.024   8.1192 -7.530899 11.10721 
1 1 1   16   15    4 o  189.935   6.0720  242.370   14.651  255.716   25.977  236.145   17.742  193.538   9.9048  186.333   7.0264 7.205826 12.14392 
1 1 1   16   15    5 o  109.745   6.8727   77.787   9.6512   95.669   17.357   69.784   11.612  118.287   10.828  101.203   8.4668 17.08405 13.74548 
1 1 1   16   15    6 o  156.860   6.0856  158.953   12.151  193.164   22.056  144.044   14.560  168.227   9.6748  145.493   7.3849 22.73404 12.17124 
1 1 1   16   15    7 o   68.045   7.4660   30.652   6.4278   19.614   8.2535   47.666   10.247   52.487   11.881   83.603   9.0448 -31.11623 14.93191 
1 1 1   16   15    8 o  197.987   4.7977  266.093   12.824  261.173   17.332  272.045   19.064  195.996   6.5256  199.978   7.0348 -3.982376 9.595386 
1 1 1   16   15    9 o  261.776   6.5308  479.570   20.758  495.907   24.665  439.896   38.437  270.037   6.7402  253.514   11.188 16.52365 13.06162 
1 1 1   16   15   10 o  164.109   6.7282  205.769   11.083  218.847   12.351  151.715   25.110  179.529   5.0768  148.690   12.462 30.83855 13.45640 
1 1 1   16   15   11 o  207.100   6.1393  304.505   13.477  312.369   15.070  273.079   30.124  214.473   5.1850  199.727   11.130 14.74503 12.27856 
1 1 1   16   15   12 o  225.744   6.0329  352.306   14.534  355.447   16.211  339.432   32.818  228.776   5.2289  222.712   10.874 6.064377 12.06580 
1 1 1   16   15   13 o  254.217   5.9350  426.537   16.249  417.815   18.046  463.919   37.359  248.016   5.3693  260.418   10.586 -12.40149 11.87004 
1 1 1   16   15   14 o   46.590   8.6688   19.583   5.4217   23.261   5.7636  -8.6870   15.978   58.458   7.2757   34.723   15.737 23.73487 17.33766 
1 1 1   16   15   15 o   83.618   7.6266   39.889   6.1392   37.019   6.5590   60.178   17.440   73.775   6.5606   93.460   13.770 -19.68481 15.25321 
1 1 1   16   15   16 o  168.258   6.1477  197.682   10.624  200.212   11.731  186.146   25.046  171.700   5.0419  164.816   11.214 6.884735 12.29531 
1 1 1   16   15   17 o  237.578   5.9592  387.037   15.213  388.402   16.981  381.487   34.240  239.120   5.2403  236.037   10.705 3.082367 11.91842 
1 1 1   16   15   18 o  222.038   6.0474  342.399   14.247  346.211   15.872  326.591   32.323  225.758   5.1882  218.319   10.925 7.439026 12.09473 
1 1 1   16   15   19 o  185.819   5.9116  226.012   11.426  220.909   12.551  250.699   27.608  180.333   5.1361  191.305   10.649 -10.97141 11.82315 
1 1 1   16   15   20 o  160.613   6.2369  179.382   10.255  181.150   11.306  171.179   24.354  163.297   5.1091  157.929   11.380 5.367767 12.47384 
1 1 1   16   15   21 f   45.763   8.3284   19.109   5.6164   23.999   6.0457 -11.6959   15.174   59.342   7.5180   32.184   14.864 27.15780 16.65681 
1 1 1   16   15   22 o  263.629   6.0401  480.017   17.560  484.069   19.801  465.099   37.997  266.861   5.4755  260.396   10.768 6.465424 12.08013 
1 1 1   16   15   23 o  185.397   6.0809  223.868   13.066  214.385   14.859  256.210   27.441  177.504   6.1772  193.289   10.476 -15.78548 12.16174 
1 1 1   16   15   24 o   98.391   7.6131   64.929   8.1942   63.883   9.1607   69.116   18.328   96.829   6.9814   99.954   13.531 -3.124939 15.22619 
1 1 1   16   15   25 o  135.088   6.5210  119.367   10.055  114.905   11.371  135.374   21.537  129.901   6.4595  140.275   11.330 -10.37381 13.04199 
1 1 1   16   15   26 o  149.419   5.9864  137.564   9.4163  129.627   10.306  177.645   23.161  138.053   5.5091  160.786   10.630 -22.73221 11.97278 
1 1 1   16   15   27 o  193.203   5.9980  257.828   12.384  259.450   13.811  251.177   27.969  195.332   5.2176  191.074   10.802 4.258179 11.99591 
1 1 1   16   15   28 o  119.555   6.6055   95.448   8.1347   94.090   8.9316  102.054   19.701  117.585   5.6053  121.525   11.963 -3.940216 13.21101 
1 1 1   16   15   29 o   60.520   9.6480   21.852   5.9667   19.964   6.4534   32.971   15.660   53.973   8.8233   67.066   17.161 -13.09340 19.29605 
1 1 1   16   15   30 o  112.170   6.8146   85.783   7.8469   85.412   8.6295   87.556   18.858  111.994   5.6860  112.345   12.386 -0.3511810 13.62920 
1 1 1   16   15   31 o  137.943   6.5558  136.054   9.3616  139.217   10.394  122.463   21.545  143.003   5.3637  132.883   11.964 10.11967 13.11167 
1 1 1   16   15   32 o  211.143   6.1039  309.303   13.730  311.426   15.303  300.545   31.087  213.868   5.2801  208.418   11.007 5.450577 12.20771 
1 1 1   16   15   33 o  146.423   5.3992  146.054   10.713  146.054   10.713   0.0000   0.0000  146.423   5.3992  ?   ?       ?      ? 
1 1 1   16   15   34 o   81.638   6.9359   45.587   7.6732   45.587   7.6732   0.0000   0.0000   81.638   6.9359  ?   ?       ?      ? 
1 1 1   16   15   35 o   70.279   9.7468   41.344   6.8397   44.661   7.5541   26.258   16.112   80.783   6.9005   59.775   18.231 21.00829 19.49367 
1 1 1   16   15   36 o  112.247   6.7434   88.363   8.0567   89.178   8.9872   85.028   18.182  114.292   5.8026  110.203   12.175 4.088829 13.48677 
1 1 1   16   15   37 f  123.008   6.2643   95.886   8.3183   90.753   9.1864  119.260   19.602  115.254   5.8818  130.762   11.062 -15.50753 12.52862 
1 1 1   16   15   38 o   58.343   9.5849   26.460   6.1307   27.795   6.7560   20.235   14.591   63.548   7.8453   53.138   17.491 10.40921 19.16981 
1 1 1   16   15   39 o   49.884   9.3689   19.346   5.7602   20.968   6.3605   11.949   13.582   55.082   8.5211   44.685   16.688 10.39711 18.73781 
1 1 1   16   15   40 o   64.216   9.4038   35.574   6.2712   38.948   6.9379   20.503   14.662   75.305   6.7986   53.126   17.536 22.17947 18.80768 
1 1 1   16   15   41 o  111.920   7.0773   90.829   9.2112   94.375   10.726   80.866   17.980  117.175   6.7547  106.664   12.439 10.51105 14.15464 
1 1 1   16   15   42 o   66.190   9.0250   27.198   6.9123   22.169   7.8645   44.276   14.492   55.227   10.895   77.152   14.391 -21.92484 18.05000 
1 1 1   16   15   43 o   61.894   9.4311   29.508   6.8093   30.952   7.8263   25.007   13.813   66.684   8.6607   57.104   16.756 9.579861 18.86213 
1 1 1   16   15   44 o   49.764   9.2451   20.302   5.7923   22.497   6.4011   10.380   13.608   56.860   8.3073   42.668   16.519 14.19200 18.49024 
1 1 1   16   15   45 o   64.172   8.6726   26.236   6.0288   23.617   6.6835   37.675   13.966   58.169   8.4787   70.175   15.132 -12.00595 17.34521 
1 1 1   16   15   46 o   49.330   10.268   18.944   6.8761   20.255   7.8810   14.764   14.072   52.253   11.446   46.407   17.051 5.845448 20.53642 
1 1 1   16   15   47 o   56.029   10.166   20.993   6.9655   17.267   8.0134   32.510   14.089   47.885   12.288   64.172   16.199 -16.28690 20.33227 
1 1 1   16   15   48 o  103.371   6.9814   70.410   8.7869   63.873   10.184   89.452   17.381   95.584   7.8624  111.157   11.539 -15.57270 13.96273 
1 1 1   16   15   49 o  119.411   6.8157   98.665   9.7708   95.401   11.363  107.925   19.140  117.024   7.1653  121.799   11.596 -4.774948 13.63136 
1 1 1   16   15   50 o  119.423   8.4380  104.696   13.385  105.073   17.368  104.144   21.004  120.634   10.624  118.211   13.112 2.423470 16.87594 
1 1 1   16   15   51 o   63.972   15.420   32.796   13.211   32.796   13.211   0.0000   0.0000   63.972   15.420  ?   ?       ?      ? 
1 1 1   16   16    0 o   43.431   10.684   12.142   6.7974   13.695   7.4759   4.7368   16.330   44.000   12.142   42.862   17.582 1.138157 21.36713 
1 1 1   16   16    1 o  123.983   7.5638  113.709   10.397  121.224   11.946   90.238   21.112  133.499   6.6032  114.467   13.610 19.03224 15.12761 
1 1 1   16   16    2 o   63.918   7.8106   26.994   6.4063   17.683   8.1943   41.632   10.274   49.779   12.234   78.057   9.7131 -28.27793 15.62119 
1 1 1   16   16    3 o  187.507   4.8325  237.393   12.218  221.719   16.316  257.404   18.436  180.533   6.6693  194.480   6.9953 -13.94756 9.665069 
1 1 1   16   16    4 o  170.781   4.8742  197.462   11.216  189.600   14.960  207.553   16.949  166.948   6.6125  174.613   7.1628 -7.665253 9.748365 
1 1 1   16   16    5 o  133.622   5.0715  121.695   9.1030  122.676   12.127  120.429   13.778  134.282   6.6642  132.961   7.6466 1.321304 10.14309 
1 1 1   16   16    6 f   55.549   8.1818   19.495   6.1274   9.9991   7.7158   35.708   10.082   38.859   12.716   72.239   10.299 -33.38009 16.36365 
1 1 1   16   16    7 o   77.857   6.7557   43.614   6.7362   51.091   8.7517   32.745   10.552   86.608   7.4568   69.105   11.267 17.50331 13.51146 
1 1 1   16   16    8 o   84.659   6.1758   47.231   6.9617   38.646   8.9481   60.398   11.081   75.245   8.7754   94.074   8.6922 -18.82816 12.35164 
1 1 1   16   16    9 o   72.558   9.5124   31.869   7.5470   28.382   8.3816   46.805   17.349   64.433   9.5993   80.683   16.425 -16.25065 19.02473 
1 1 1   16   16   10 o  160.108   6.5883  188.654   10.654  196.304   11.807  155.149   24.712  169.990   5.1257  150.227   12.139 19.76299 13.17650 
1 1 1   16   16   11 o  146.617   6.7429  145.495   11.600  144.014   13.366  150.014   23.345  145.451   6.7813  147.783   11.657 -2.331909 13.48581 
1 1 1   16   16   12 o  181.031   6.8009  241.071   14.414  261.770   17.054  189.316   26.967  196.138   6.4163  165.925   11.993 30.21254 13.60177 
1 1 1   16   16   13 f  128.170   7.3233  118.662   10.860  125.121   12.654  100.606   21.157  135.551   6.8889  120.790   12.925 14.76099 14.64654 
1 1 1   16   16   14 o   75.753   10.415   41.606   9.6686   43.394   11.673   37.699   17.257   79.522   10.832   71.983   17.793 7.539185 20.83046 
1 1 1   16   16   15 o  141.616   7.0903  148.174   10.790  156.256   12.223  119.642   22.966  151.561   5.9512  131.671   12.871 19.88980 14.18052 
1 1 1   16   16   16 o   88.644   10.239   74.970   8.4331   86.880   9.4746   29.559   18.501  112.987   6.1880   64.301   19.520 48.68600 20.47727 
1 1 1   16   16   17 o  195.687   5.8892  239.559   12.190  227.557   13.380  298.178   29.570  182.945   5.3970  208.429   10.469 -25.48407 11.77837 
1 1 1   16   16   18 o   52.848   9.0607   26.363   5.9691   30.800   6.4260  -1.5495   16.118   67.216   7.0548   38.480   16.692 28.73615 18.12138 
1 1 1   16   16   19 o   91.112   8.6894   63.561   7.0868   65.931   7.7141   50.738   17.942   98.434   5.7830   83.789   16.388 14.64594 17.37889 
1 1 1   16   16   20 o  128.096   7.0807  120.854   8.7841  124.825   9.6222  100.990   21.520  135.483   5.2409  120.708   13.156 14.77530 14.16147 
1 1 1   16   16   21 o  238.424   6.0502  391.888   15.559  393.779   17.398  384.340   34.769  240.600   5.3362  236.248   10.860 4.352783 12.10044 
1 1 1   16   16   22 o   84.159   8.7861   51.242   6.8649   51.886   7.4715   47.755   17.393   87.256   6.3187   81.061   16.397 6.195816 17.57224 
1 1 1   16   16   23 o  107.994   6.9549   75.239   7.6164   72.875   8.2972   87.895   19.199  103.434   5.9195  112.553   12.587 -9.119278 13.90976 
1 1 1   16   16   24 o   86.752   8.3734   53.899   6.8371   54.402   7.4587   51.257   17.107   89.336   6.1610   84.169   15.572 5.167221 16.74671 
1 1 1   16   16   25 o  110.526   6.8313   78.336   7.6836   75.579   8.3717   93.069   19.353  105.313   5.8661  115.740   12.339 -10.42690 13.66268 
1 1 1   16   16   26 o   72.611   7.1812   36.047   7.0661   36.047   7.0661   0.0000   0.0000   72.611   7.1812  ?   ?       ?      ? 
1 1 1   16   16   27 o  261.106   5.5015  464.522   19.466  464.522   19.466   0.0000   0.0000  261.106   5.5015  ?   ?       ?      ? 
1 1 1   16   16   28 o  169.289   5.3472  195.264   12.267  195.264   12.267   0.0000   0.0000  169.289   5.3472  ?   ?       ?      ? 
1 1 1   16   16   29 o  124.838   6.7044  105.077   8.6532  103.741   9.5171  111.450   20.785  123.326   5.6947  126.350   12.139 -3.023949 13.40875 
1 1 1   16   16   30 o  102.927   7.1901   72.020   7.7749   71.221   8.5953   75.616   18.235  102.096   6.2125  103.758   12.969 -1.662254 14.38016 
1 1 1   16   16   31 o  137.867   6.9170  149.538   9.7235  161.753   10.955  104.168   21.112  154.020   5.2485  121.715   12.800 32.30455 13.83408 
1 1 1   16   16   32 o   56.830   9.6428   23.565   6.0203   23.944   6.6138   21.735   14.541   58.953   8.2786   54.707   17.418 4.246616 19.28558 
1 1 1   16   16   33 o  136.254   6.2407  126.489   9.0761  125.341   10.086  131.377   20.812  135.480   5.4935  137.029   11.208 -1.548996 12.48145 
1 1 1   16   16   34 o  125.107   6.4853  112.417   8.5993  115.011   9.6180  102.080   19.199  129.750   5.4701  120.463   11.761 9.286514 12.97065 
1 1 1   16   16   35 o   27.006   8.3163   0.3930   5.0920   3.0181   5.5769 -12.7642   12.485   26.696   10.506   27.317   12.895 -0.6218071 16.63262 
1 1 1   16   16   36 o  171.545   6.0775  192.519   12.667  179.272   14.708  230.554   24.922  161.521   6.7197  181.569   10.129 -20.04747 12.15507 
1 1 1   16   16   37 o   71.639   8.9302   33.634   7.5345   29.778   8.6742   45.485   15.206   65.254   9.8093   78.023   14.926 -12.76897 17.86045 
1 1 1   16   16   38 o   70.439   8.4813   29.826   7.2268   22.167   8.3478   52.738   14.438   54.971   11.572   85.907   12.402 -30.93512 16.96268 
1 1 1   16   16   39 o  110.862   6.9793   85.859   9.2111   85.326   10.723   87.358   17.991  111.157   7.1188  110.568   12.007 0.5888672 13.95868 
1 1 1   16   16   40 o  103.159   7.9748   75.840   10.864   75.990   13.922   75.607   17.371  103.871   9.8907  102.447   12.512 1.423737 15.94955 
1 1 1   16   16   41 o   64.396   9.4162   30.857   7.0687   30.999   8.1563   30.431   14.169   66.477   9.0540   62.316   16.513 4.161022 18.83245 
1 1 1   16   16   42 o   63.022   9.3442   26.613   6.8982   23.031   7.9187   37.888   14.048   55.992   10.828   70.053   15.232 -14.06067 18.68850 
1 1 1   16   16   43 o   34.823   9.6012   6.6703   6.0973   7.7697   7.0527   3.4169   12.132   34.300   12.139   35.346   14.879 -1.046635 19.20247 
1 1 1   16   16   44 o   51.028   8.0642   24.775   6.6200   35.586   7.7204  -5.2478   12.865   71.298   7.9906   30.757   14.010 40.54140 16.12849 
1 1 1   16   16   45 o   77.533   8.2864   43.520   7.4648   42.648   8.7123   45.928   14.477   77.888   8.2543   77.177   14.371 0.7112045 16.57278 
1 1 1   16   16   46 o   66.426   9.1731   28.920   7.0957   23.889   8.1121   45.309   14.641   56.631   10.967   76.221   14.708 -19.58965 18.34628 
1 1 1   16   16   47 o   66.953   9.3267   27.855   7.2026   21.353   8.1540   50.939   15.364   53.095   11.653   80.811   14.566 -27.71518 18.65347 
1 1 1   16   17    0 o  222.793   5.8492  345.082   17.270  302.918   26.346  376.850   22.868  210.432   9.2388  235.155   7.1762 -24.72281 11.69841 
1 1 1   16   17    1 o  158.335   5.8273  172.457   12.351  161.898   18.651  180.704   16.483  153.879   8.9444  162.792   7.4717 -8.913544 11.65452 
1 1 1   16   17    2 o  218.965   5.6940  323.213   16.582  347.953   26.492  307.279   21.261  225.640   8.6641  212.290   7.3905 13.34990 11.38793 
1 1 1   16   17    3 o   87.299   7.1038   52.260   8.4014   53.455   11.844   51.051   11.919   88.318   9.8964   86.280   10.194 2.038284 14.20752 
1 1 1   16   17    4 o  162.520   5.6787  179.524   12.440  187.828   18.746  172.989   16.629  165.814   8.3426  159.225   7.7066 6.588974 11.35739 
1 1 1   16   17    5 o  196.337   7.1449  266.492   18.261  272.273   22.991  256.613   30.056  199.593   8.5001  193.081   11.487 6.511887 14.28989 
1 1 1   16   17    6 o  155.746   6.9755  166.736   12.585  167.136   14.460  165.486   25.551  156.613   6.8134  154.879   12.174 1.733200 13.95098 
1 1 1   16   17    7 o  160.669   6.8977  181.056   12.781  184.974   14.731  169.129   25.705  164.778   6.5971  156.560   12.116 8.217957 13.79532 
1 1 1   16   17    8 o  257.725   6.6409  463.294   20.643  473.652   24.355  436.869   38.900  263.613   6.8176  251.838   11.399 11.77489 13.28183 
1 1 1   16   17    9 o   74.621   10.367   37.166   8.3526   35.587   9.2999   43.755   18.995   72.045   9.5257   77.196   18.416 -5.151489 20.73330 
1 1 1   16   17   10 o   89.227   9.8381   68.746   7.4741   73.939   8.1335   40.558   18.950  104.231   5.7584   74.224   18.815 30.00663 19.67622 
1 1 1   16   17   11 o  107.228   7.2497   70.962   7.5880   67.725   8.1687   91.328   20.491   99.726   6.0446  114.730   13.179 -15.00440 14.49938 
1 1 1   16   17   12 o  104.453   8.2733   84.094   7.9306   87.865   8.6307   63.640   20.102  113.622   5.6053   95.285   15.568 18.33695 16.54657 
1 1 1   16   17   13 o  109.129   7.3831   81.609   7.9057   81.441   8.6039   82.519   20.035  109.364   5.8055  108.894   13.577 0.4704132 14.76628 
1 1 1   16   17   14 o  139.798   6.6192  133.721   9.4187  133.486   10.341  134.867   22.816  140.045   5.4489  139.552   12.065 0.4924774 13.23840 
1 1 1   16   17   15 o  131.544   6.9113  121.225   9.0893  122.351   9.9640  115.646   22.185  134.062   5.4846  129.025   12.688 5.036636 13.82267 
1 1 1   16   17   16 o  114.811   7.3095   91.774   8.2150   92.199   8.9516   89.504   20.679  116.346   5.6776  113.275   13.472 3.070961 14.61908 
1 1 1   16   17   17 o   91.613   8.0198   53.230   7.0686   51.322   7.6030   65.388   19.193   86.726   6.4692   96.500   14.677 -9.774559 16.03956 
1 1 1   16   17   18 o   83.024   6.5327   47.054   7.3499   47.054   7.3499   0.0000   0.0000   83.024   6.5327  ?   ?       ?      ? 
1 1 1   16   17   19 o   71.657   7.0523   35.107   6.8481   35.107   6.8481   0.0000   0.0000   71.657   7.0523  ?   ?       ?      ? 
1 1 1   16   17   20 o   83.379   6.4496   47.477   7.2873   47.477   7.2873   0.0000   0.0000   83.379   6.4496  ?   ?       ?      ? 
1 1 1   16   17   21 o   38.526   8.6429   11.489   5.5564   15.645   5.9580 -16.2638   15.396   46.784   9.7153   30.268   14.297 16.51601 17.28578 
1 1 1   16   17   22 o   48.382   10.212   16.353   5.7350   16.721   6.1626   13.973   15.669   48.377   9.7372   48.387   17.953 -0.9250641E-02 20.42382 
1 1 1   16   17   23 o   89.028   7.8582   54.011   6.9810   53.472   7.6166   56.845   17.455   88.449   6.3546   89.608   14.374 -1.159401 15.71639 
1 1 1   16   17   24 o   77.775   9.7361   45.202   8.1954   46.632   9.3153   40.305   17.239   82.310   8.3515   73.239   17.590 9.070137 19.47219 
1 1 1   16   17   25 o   68.002   9.9978   35.107   7.8055   36.777   8.9582   29.842   15.907   72.962   9.0602   63.041   17.825 9.921082 19.99555 
1 1 1   16   17   26 o   81.222   8.2749   40.692   8.0955   34.999   9.2588   59.171   16.682   71.051   9.6161   91.393   13.469 -20.34152 16.54972 
1 1 1   16   17   27 o   85.691   8.7812   51.662   8.5084   50.929   9.7895   53.926   17.203   85.899   8.4099   85.483   15.418 0.4152679 17.56240 
1 1 1   16   17   28 o   64.337   10.210   31.093   7.7491   32.098   8.8794   27.881   15.872   67.954   9.6424   60.721   18.001 7.233261 20.42081 
1 1 1   16   17   29 o  106.573   7.1979   74.023   9.1043   68.834   10.430   90.631   18.660   99.925   7.7024  113.220   12.162 -13.29547 14.39573 
1 1 1   16   17   30 o   87.865   7.8703   54.698   7.0847   54.924   7.8146   53.654   16.788   89.459   6.4461   86.270   14.360 3.188881 15.74055 
1 1 1   16   17   31 o  137.722   5.9038  113.458   8.7728  103.244   9.6278  163.421   21.294  122.769   5.7870  152.676   10.292 -29.90727 11.80757 
1 1 1   16   17   32 o   32.035   8.1996   5.8480   5.2662   10.621   5.7940 -16.8292   12.629   38.270   10.736   25.801   12.396 12.46850 16.39916 
1 1 1   16   17   33 o  107.152   6.9723   82.931   7.8101   84.436   8.6947   76.641   17.772  110.954   5.7826  103.350   12.689 7.604584 13.94468 
1 1 1   16   17   34 o   46.414   9.8939   16.767   6.4834   18.838   7.4065   9.9791   13.410   50.632   11.101   42.196   16.381 8.436607 19.78781 
1 1 1   16   17   35 o   50.206   9.4699   20.410   6.5286   23.527   7.5048   10.715   13.238   57.849   9.5732   42.562   16.342 15.28679 18.93989 
1 1 1   16   17   36 o   78.630   8.7260   44.386   7.6220   43.654   8.7056   46.792   15.776   79.143   8.1171   78.118   15.450 1.025063 17.45209 
1 1 1   16   17   37 o   81.577   7.8120   42.705   7.5456   38.066   8.5860   58.442   15.814   73.713   8.5954   89.441   13.047 -15.72831 15.62406 
1 1 1   16   17   38 o   69.149   9.3346   34.420   7.2208   33.339   8.1953   38.169   15.268   68.866   8.7816   69.432   16.475 -0.5651474 18.66922 
1 1 1   16   17   39 o   42.565   9.9593   7.5918   6.0802   2.7012   6.8393   26.026   13.278   27.940   11.410   57.190   16.326 -29.24932 19.91862 
1 1 1   16   17   40 o  102.167   7.1290   71.118   8.5705   67.679   9.8281   82.035   17.511   98.503   7.3627  105.831   12.210 -7.328056 14.25809 
1 1 1   16   17   41 o   36.860   9.5611   9.2330   6.1592   11.738   6.9801   0.4221   13.090   39.654   11.979   34.066   14.905 5.587795 19.12229 
1 1 1   16   17   42 o   31.046   9.3196   2.8214   5.9269   3.4519   6.6827   0.4974   12.830   28.375   11.390   33.717   14.754 -5.342754 18.63928 
1 1 1   16   18    0 o  120.609   5.5693   99.031   9.0155   95.951   11.873  103.225   13.855  118.477   7.3951  122.741   8.3296 -4.264168 11.13864 
1 1 1   16   18    1 o  105.372   5.9216   77.415   8.2822   84.712   11.015   67.924   12.563  111.328   7.3014   99.417   9.3247 11.91132 11.84315 
1 1 1   16   18    2 o   77.340   6.9248   40.031   7.1559   33.760   9.2598   49.328   11.275   70.035   9.7568   84.646   9.8295 -14.61157 13.84969 
1 1 1   16   18    3 o  102.913   5.9436   73.897   8.0867   79.740   10.613   65.809   12.486  108.004   7.2516   97.822   9.4192 10.18247 11.88723 
1 1 1   16   18    4 o   35.956   9.4446   7.1617   6.1555   9.0714   7.8389   4.0903   9.9414   37.489   12.827   34.423   13.866 3.065598 18.88918 
1 1 1   16   18    5 o   76.142   7.0016   40.055   7.0921   40.488   9.2246   39.428   11.091   76.774   8.8664   75.510   10.839 1.264359 14.00321 
1 1 1   16   18    6 o  119.041   5.5527   97.404   8.8100   98.982   11.521   95.181   13.672  120.329   7.0653  117.752   8.5682 2.577415 11.10547 
1 1 1   16   18    7 o   94.708   7.4169   62.222   8.5619   62.525   10.126   61.461   16.036   95.529   7.8221   93.888   12.604 1.641151 14.83385 
1 1 1   16   18    8 o  115.095   7.0847   98.781   9.7593  110.086   11.804   74.358   17.350  126.907   6.8636  103.284   12.396 23.62251 14.16940 
1 1 1   16   18    9 o  107.035   6.9869   78.352   10.134   78.352   10.134   0.0000   0.0000  107.035   6.9869  ?   ?       ?      ? 
1 1 1   16   18   10 o   48.061   11.506   16.680   7.3942   16.680   7.3942   0.0000   0.0000   48.061   11.506  ?   ?       ?      ? 
1 1 1   16   18   11 o   57.996   9.3992   33.907   6.6767   39.656   7.1896  -2.1258   18.000   76.130   6.9690   39.863   17.459 36.26661 18.79839 
1 1 1   16   18   12 o  125.995   7.5066  122.679   9.2088  129.470   10.175   91.945   21.647  137.806   5.4488  114.184   13.990 23.62217 15.01319 
1 1 1   16   18   13 o   36.214   10.087  -2.7256   5.6970  -6.2251   6.1320   19.344   15.399   19.501   9.1524   52.927   17.979 -33.42593 20.17432 
1 1 1   16   18   14 o   41.987   10.403   11.183   5.8549   11.771   6.2880   7.3470   16.054   40.484   11.120   43.491   17.585 -3.006958 20.80613 
1 1 1   16   18   15 o   55.098   10.273   24.026   7.2845   26.779   8.1694   13.341   16.093   62.200   9.6921   47.995   18.116 14.20466 20.54583 
1 1 1   16   18   16 o   98.070   7.7503   62.403   8.7054   58.681   9.8224   76.034   18.796   92.388   7.8455  103.751   13.369 -11.36226 15.50070 
1 1 1   16   18   17 o   73.698   9.2537   34.811   7.5898   31.562   8.5195   47.307   16.708   67.532   9.3094   79.863   15.996 -12.33068 18.50745 
1 1 1   16   18   18 o   42.487   9.8773   13.324   6.4871   16.314   7.2210   0.8172   14.769   47.375   11.388   37.600   16.142 9.775406 19.75466 
1 1 1   16   18   19 o   69.772   10.004   37.089   7.6682   38.482   8.6606   32.034   16.497   74.637   8.5628   64.908   18.083 9.728951 20.00767 
1 1 1   16   18   20 o  140.542   6.6536  139.761   9.6105  141.276   10.620  132.909   22.584  143.806   5.4496  137.277   12.140 6.528412 13.30715 
1 1 1   16   18   21 o   73.490   8.8952   33.779   6.4127   31.455   6.9434   47.266   16.725   67.574   7.5824   79.406   16.094 -11.83131 17.79041 
1 1 1   16   18   22 o   75.355   9.2673   39.639   6.6110   38.990   7.1660   43.351   17.133   75.299   7.0227   75.410   17.153 -0.1110077 18.53469 
1 1 1   16   18   23 o   88.082   8.4006   55.724   7.0653   55.832   7.7256   55.172   17.465   90.207   6.3199   85.956   15.567 4.251762 16.80110 
1 1 1   16   18   24 o  121.052   6.6703   97.589   8.2751   95.217   9.0603  109.521   20.322  117.921   5.6698  124.183   12.076 -6.262688 13.34055 
1 1 1   16   18   25 o  131.418   6.6260  128.051   8.9931  132.772   10.028  108.659   20.323  139.306   5.3122  123.529   12.141 15.77695 13.25196 
1 1 1   16   18   26 o   60.305   9.4350   30.891   6.0891   33.444   6.7035   18.847   14.560   69.623   7.1050   50.988   17.481 18.63528 18.87005 
1 1 1   16   18   27 o  100.765   7.1031   69.434   7.3142   68.395   8.0234   74.546   17.794   99.806   5.9322  101.724   12.908 -1.918655 14.20622 
1 1 1   16   18   28 o   31.394   9.3123   3.1635   5.7813   4.5245   6.4174  -2.6996   13.320   29.648   11.380   33.140   14.744 -3.492823 18.62461 
1 1 1   16   18   29 f   45.869   10.089   15.934   6.2874   17.107   6.9932   10.987   14.362   48.171   10.960   43.567   16.941 4.603725 20.17740 
1 1 1   16   18   30 o   57.086   10.051   23.414   6.5758   22.532   7.3427   26.988   14.780   55.678   10.104   58.494   17.377 -2.815872 20.10133 
1 1 1   16   18   31 o   65.790   9.4586   28.954   6.9695   26.344   7.8214   39.014   15.357   61.112   9.4444   70.468   16.391 -9.356701 18.91712 
1 1 1   16   18   32 o  140.062   6.7109  137.571   10.777  136.579   12.320  140.805   22.242  140.561   6.4679  139.562   11.761 0.9984589 13.42184 
1 1 1   16   18   33 f   48.343   9.9747   19.272   6.5873   21.551   7.3435   9.8829   14.904   54.149   10.385   42.536   17.033 11.61308 19.94932 
1 1 1   16   18   34 o   66.085   9.4223   27.759   6.9376   23.421   7.7567   45.107   15.511   56.374   10.541   75.796   15.621 -19.42230 18.84463 
1 1 1   16   18   35 o   47.963   9.9440   18.803   6.5059   20.720   7.3104   11.501   14.265   52.872   10.573   43.054   16.845 9.817242 19.88792 
1 1 1   16   18   36 o   76.816   9.0038   43.979   7.5606   43.759   8.6046   44.722   15.836   78.886   8.0491   74.746   16.109 4.140511 18.00769 
1 1 1   16   18   37 o   22.637   10.660  -7.8285   8.4389  -7.8285   8.4389   0.0000   0.0000   22.637   10.660  ?   ?       ?      ? 
1 1 1   16   19    0 f   65.840   10.464   30.271   8.7343   38.466   15.174   26.210   10.681   71.891   15.989   59.788   13.502 12.10275 20.92747 
1 1 1   16   19    1 o  115.529   7.3313   93.118   10.821   91.871   18.623   93.753   13.295  114.437   12.009  116.622   8.4128 -2.185280 14.66251 
1 1 1   16   19    2 o   50.505   11.232   16.572   8.2867   25.331   14.366   12.204   10.145   58.334   17.080   42.676   14.592 15.65841 22.46426 
1 1 1   16   19    3 o   63.772   7.9769   27.619   6.6191   21.656   8.4483   37.100   10.652   54.610   11.763   72.934   10.777 -18.32421 15.95379 
1 1 1   16   19    4 o   42.416   9.1918   13.097   6.0537   16.996   7.7095   6.8278   9.7765   48.290   11.866   36.542   14.041 11.74731 18.38356 
1 1 1   16   19    5 o   52.244   9.0063   18.865   6.2308   14.534   7.8688   26.146   10.202   44.732   12.498   59.757   12.971 -15.02541 18.01261 
1 1 1   16   19    6 o   52.037   9.1461   18.775   6.2914   15.004   7.8924   25.347   10.420   45.386   12.455   58.688   13.397 -13.30214 18.29220 
1 1 1   16   19    7 o   36.349   14.057   6.6127   9.8453   0.0000   0.0000   6.6127   9.8453  ?   ?    36.349   14.057      ?      ? 
1 1 1   16   19    8 o   42.142   9.5660   12.408   6.0753   12.341   7.7023   12.517   9.8832   41.529   12.592   42.754   14.404 -1.225788 19.13198 
1 1 1   16   19    9 o   70.279   9.6096   36.768   6.6255   37.246   7.2408   34.306   16.425   73.589   7.2609   66.970   17.795 6.619301 19.21928 
1 1 1   16   19   10 o   67.629   9.0019   25.542   6.1133   22.122   6.5958   46.383   16.283   56.528   8.6105   78.730   15.811 -22.20195 18.00387 
1 1 1   16   19   11 o   41.038   10.412   6.1170   5.5001   3.7733   5.9104   21.261   15.024   28.164   10.891   53.912   17.749 -25.74823 20.82413 
1 1 1   16   19   12 o   63.526   9.7069   32.373   6.3179   33.988   6.9144   24.205   15.549   70.252   7.2629   56.799   18.004 13.45275 19.41382 
1 1 1   16   19   13 o  119.481   6.9222  101.333   8.4978  102.287   9.3895   97.016   19.979  122.241   5.6682  116.721   12.631 5.520065 13.84438 
1 1 1   16   19   14 o   52.766   10.414   16.773   5.9651   14.856   6.4526   28.037   15.645   45.117   10.713   60.414   17.862 -15.29702 20.82885 
1 1 1   16   19   15 o   54.130   10.191   19.485   5.9895   18.417   6.5035   25.451   15.371   50.510   9.8552   57.750   17.841 -7.240242 20.38194 
1 1 1   16   19   16 o   90.983   7.2613   53.535   7.0729   50.806   7.8006   66.152   16.771   85.918   6.6998   96.048   12.885 -10.13043 14.52250 
1 1 1   16   19   17 o   72.536   8.0747   28.870   6.3390   24.201   6.9110   53.628   15.914   58.968   8.6484   86.103   13.639 -27.13461 16.14947 
1 1 1   16   19   18 o   64.382   9.5177   36.411   6.4001   39.921   7.0746   20.595   15.019   76.087   6.8613   52.678   17.756 23.40940 19.03545 
1 1 1   16   19   19 f   45.029   10.380   14.544   6.4891   15.123   7.2599   12.244   14.471   45.210   11.744   44.848   17.118 0.3622894 20.75957 
1 1 1   16   19   20 o   50.652   10.526   18.065   6.6972   17.180   7.5308   21.411   14.645   48.138   11.666   53.165   17.524 -5.026428 21.05247 
1 1 1   16   19   21 o   48.229   10.276   17.398   6.5114   17.963   7.3059   15.217   14.357   49.310   11.190   47.148   17.238 2.161701 20.55118 
1 1 1   16   19   22 o   42.009   9.3292   14.019   6.5116   18.761   7.3704  -2.8449   13.900   50.395   11.093   33.624   15.003 16.77095 18.65837 
1 1 1   16   19   23 o  117.944   6.8929   93.229   9.5018   88.505   10.848  108.798   19.694  113.011   7.0834  122.878   11.827 -9.867325 13.78583 
1 1 1   16   19   24 o   56.784   10.075   24.635   6.9105   25.161   7.7956   22.703   14.932   59.642   9.6453   53.926   17.692 5.716228 20.14995 
1 1 1   16   19   25 o   47.119   9.2797   18.842   6.5736   23.161   7.3849   2.3632   14.426   57.203   9.5266   37.035   15.928 20.16802 18.55938 
1 1 1   16   19   26 o   40.296   10.246   10.757   6.1316   11.005   6.7847   9.6482   14.323   38.681   11.837   41.911   16.727 -3.230045 20.49168 
1 1 1   16   19   27 o   79.294   8.6350   44.039   7.5265   42.047   8.5061   51.225   16.155   77.432   8.1065   81.156   15.249 -3.724106 17.26992 
1 1 1   16   19   28 o   52.255   10.503   19.107   6.5510   17.582   7.2761   25.634   15.054   48.379   11.302   56.132   17.707 -7.753342 21.00690 
1 1 1   16   19   29 o   45.877   10.150   15.982   6.2043   16.475   6.8877   13.860   14.286   46.842   11.033   44.913   17.041 1.929371 20.30048 
1 1 1   16   19   30 o   59.659   9.3788   25.380   7.5824   25.380   7.5824   0.0000   0.0000   59.659   9.3788  ?   ?       ?      ? 
1 1 1   16   19   31 o   65.638   8.9082   30.620   7.9236   30.620   7.9236   0.0000   0.0000   65.638   8.9082  ?   ?       ?      ? 
1 1 1   16   19   32 o   32.723   11.867   7.0031   6.7843   7.0031   6.7843   0.0000   0.0000   32.723   11.867  ?   ?       ?      ? 
1 1 1   16   20    0 o   73.454   9.4034   38.216   9.0486   32.017   11.652   47.633   14.362   65.541   13.566   81.366   13.025 -15.82561 18.80689 
1 1 1   16   20    1 o   45.075   10.269   11.393   6.7545   6.5856   7.9268   24.134   12.906   33.962   12.736   56.189   16.114 -22.22687 20.53901 
1 1 1   16   20    2 o  100.122   6.0607   70.802   8.0690   76.734   10.743   63.124   12.222  105.310   7.5278   94.934   9.5006 10.37625 12.12148 
1 1 1   16   20    3 o   60.484   8.5306   27.704   6.6762   31.987   8.6878   21.528   10.433   67.565   9.4887   53.404   14.179 14.16113 17.06110 
1 1 1   16   20    4 o   42.636   9.6177   12.348   6.1992   9.2701   7.8989   17.283   10.003   37.166   12.868   48.106   14.297 -10.93973 19.23533 
1 1 1   16   20    5 o   47.739   9.6119   16.919   6.3685   16.780   7.9970   17.160   10.530   47.497   12.320   47.982   14.757 -0.4854965 19.22381 
1 1 1   16   20    6 o  143.602   5.3351  141.965   10.285  136.412   13.539  149.541   15.815  140.480   7.1121  146.723   7.9543 -6.241989 10.67022 
1 1 1   16   20    7 o  113.065   7.3494   88.926   10.836   95.968   18.225   85.075   13.477  115.883   11.605  110.246   9.0206 5.637177 14.69882 
1 1 1   16   20    8 o   87.565   10.315   57.273   11.876   58.470   16.022   55.814   17.694   89.721   13.177   85.410   15.872 4.311523 20.62930 
1 1 1   16   20    9 o   76.661   10.468   44.612   10.243   45.958   12.918   42.332   16.811   79.986   11.918   73.335   17.212 6.651245 20.93535 
1 1 1   16   20   10 o   79.770   8.2366   33.831   7.3308   26.199   8.0500   70.908   17.744   60.940   9.7479   98.600   13.280 -37.66006 16.47326 
1 1 1   16   20   11 o   72.979   9.6204   38.535   7.3828   37.820   8.2146   41.540   16.838   73.611   8.2349   72.347   17.390 1.263855 19.24081 
1 1 1   16   20   12 o   87.214   9.0599   56.059   8.2163   56.159   9.2094   55.669   18.189   89.879   7.5613   84.550   16.467 5.328484 18.11990 
1 1 1   16   20   13 o   96.087   8.7390   70.827   8.7565   73.456   9.9250   61.593   18.601  102.910   7.1169   89.263   15.963 13.64720 17.47804 
1 1 1   16   20   14 o   91.717   8.9424   63.673   8.4879   65.009   9.5546   58.671   18.486   96.726   7.2893   86.707   16.332 10.01884 17.88483 
1 1 1   16   20   15 o   69.691   9.4117   32.816   7.3236   29.992   8.2369   43.472   16.002   65.148   9.3300   74.234   16.349 -9.086533 18.82350 
1 1 1   16   20   16 o   62.084   10.092   25.373   7.0284   22.062   7.8460   38.820   15.813   54.574   10.989   69.594   16.929 -15.01975 20.18342 
1 1 1   16   20   17 o   65.596   9.9229   29.345   7.2070   26.941   8.0334   39.260   16.314   61.583   9.6263   69.609   17.355 -8.026394 19.84577 
1 1 1   16   20   18 o   52.822   9.8655   23.330   6.8914   26.053   7.7818   13.435   14.837   60.561   9.4820   45.083   17.303 15.47858 19.73104 
1 1 1   16   20   19 o   32.731   9.7187  -0.5155   5.9624  -3.5124   6.6206   12.347   13.716   22.010   10.035   43.453   16.647 -21.44309 19.43749 
1 1 1   16   20   20 o   40.470   10.380   10.670   6.3836   10.288   7.1744   12.121   13.987   37.611   12.259   43.328   16.755 -5.717514 20.76091 
1 1 1   16   20   21 o   29.052   9.1510  -0.4724   6.0250  -0.2762   6.7525  -1.2383   13.344   24.800   10.781   33.305   14.790 -8.504845 18.30196 
1 1 1   16   20   22 o   41.344   11.976   12.926   7.0965   12.926   7.0965   0.0000   0.0000   41.344   11.976  ?   ?       ?      ? 
1 1 1   16   20   23 o   32.818   11.984   6.9419   6.9365   6.9419   6.9365   0.0000   0.0000   32.818   11.984  ?   ?       ?      ? 
1 1 1   16   20   24 o   39.073   12.026   11.458   6.9916   11.458   6.9916   0.0000   0.0000   39.073   12.026  ?   ?       ?      ? 
1 1 1   16   20   25 o   28.636   11.400   3.8242   6.6376   3.8242   6.6376   0.0000   0.0000   28.636   11.400  ?   ?       ?      ? 
1 1 1   16   20   26 o   34.922   11.947   8.6732   6.7998   8.6732   6.7998   0.0000   0.0000   34.922   11.947  ?   ?       ?      ? 
1 1 1   16   21    0 o   71.344   8.5189   37.899   7.9585   32.447   11.402   43.079   11.113   65.230   13.349   77.457   10.588 -12.22652 17.03790 
1 1 1   16   21    1 o   48.165   9.9048   17.810   6.9825   21.978   9.8602   13.618   9.8894   53.377   13.595   42.954   14.409 10.42333 19.80964 
1 1 1   16   21    2 o   76.252   10.630   47.477   9.9451   52.358   12.134   37.487   17.359   85.391   10.486   67.113   18.494 18.27883 21.26010 
1 1 1   16   21    3 o  111.586   8.0570   85.515   11.685   74.219   14.286  108.340   20.308  101.700   10.366  121.471   12.337 -19.77108 16.11392 
1 1 1   16   21    4 o   53.983   11.147   17.132   8.6504   7.7154   10.202   41.217   16.316   36.750   14.282   71.217   17.118 -34.46720 22.29375 
1 1 1   16   21    5 o   68.844   9.0916   35.909   8.1676   34.312   11.398   37.593   11.709   67.162   12.994   70.527   12.720 -3.364502 18.18317 
1 1 1   16   21    6 o  100.912   8.1784   74.735   10.803   76.342   13.753   72.145   17.457  103.338   9.8208   98.487   13.080 4.850731 16.35672 
1 1 1   16   21    7 o   97.012   7.1919   67.873   9.4007   60.830   13.424   74.651   13.168   91.700   10.803  102.324   9.4967 -10.62367 14.38373 
1 1 1   16   21    8 o   82.905   9.4654   52.537   8.1997   52.988   9.2220   50.836   17.918   86.879   7.8330   78.932   17.234 7.946983 18.93080 
1 1 1   16   21    9 o   68.146   9.7093   31.381   7.1911   28.533   7.9837   43.623   16.554   63.276   9.3107   73.016   17.041 -9.740696 19.41868 
1 1 1   16   21   10 o   53.017   9.0308   27.431   6.8891   34.002   7.6911   0.7585   15.495   69.447   8.1724   36.587   16.107 32.85958 18.06154 
1 1 1   16   21   11 o   79.053   8.9457   42.625   7.5154   39.690   8.3497   55.153   17.248   74.990   8.2164   83.115   15.893 -8.124352 17.89149 
1 1 1   16   21   12 o   53.333   10.478   21.181   7.3026   21.181   7.3026   0.0000   0.0000   53.333   10.478  ?   ?       ?      ? 
1 1 1   16   21   13 o   62.501   9.2058   27.898   7.7972   27.898   7.7972   0.0000   0.0000   62.501   9.2058  ?   ?       ?      ? 
1 1 1   16   21   14 o   27.726   11.252   3.0521   6.5988   3.0521   6.5988   0.0000   0.0000   27.726   11.252  ?   ?       ?      ? 
1 1 1   16   21   15 o   63.303   14.763   32.010   12.432   32.010   12.432   0.0000   0.0000   63.303   14.763  ?   ?       ?      ? 
1 1 1   16   21   16 o   43.596   15.215   14.411   11.054   14.411   11.054   0.0000   0.0000   43.596   15.215  ?   ?       ?      ? 
1 1 1   16   21   17 o   44.039   15.442   14.798   11.393   14.798   11.393   0.0000   0.0000   44.039   15.442  ?   ?       ?      ? 
1 1 1   16   21   18 f   63.030   15.045   32.119   12.673   32.119   12.673   0.0000   0.0000   63.030   15.045  ?   ?       ?      ? 
1 1 1   16   21   19 o   34.241   14.420   4.0721   11.404   4.0721   11.404   0.0000   0.0000   34.241   14.420  ?   ?       ?      ? 
1 1 1   16   21   20 o   45.501   12.000   16.027   7.5056   16.027   7.5056   0.0000   0.0000   45.501   12.000  ?   ?       ?      ? 
1 1 1   16   21   21 o   29.353   12.478   1.9608   8.6707   1.9608   8.6707   0.0000   0.0000   29.353   12.478  ?   ?       ?      ? 
1 1 1   16   22    0 o   75.239   9.9370   40.898   9.6494   29.603   12.009   61.472   16.209   60.614   14.758   89.864   13.310 -29.24982 19.87401 
1 1 1   16   22    1 o   76.259   9.7156   44.019   9.5857   40.309   12.141   50.159   15.619   73.392   12.207   79.125   15.118 -5.733543 19.43126 
1 1 1   16   22    2 o   44.105   11.176   14.453   8.1732   13.514   10.077   16.259   13.973   42.175   14.538   46.036   16.979 -3.860229 22.35269 
1 1 1   16   22    3 o   61.331   10.662   26.573   8.6773   16.800   10.517   47.418   15.359   46.009   14.831   76.652   15.321 -30.64331 21.32349 
1 1 1   16   22    4 o   36.874   9.2139   7.8213   7.3327   17.319   8.7270 -14.9834   13.523   46.908   13.182   26.839   12.877 20.06943 18.42780 
1 1 1   16   22    5 o   35.580   10.198   6.6422   7.5487   9.1448   9.0066   0.7337   13.839   36.721   13.614   34.439   15.189 2.282784 20.39686 
1 1 1   16   22    6 o   55.335   10.984   21.212   8.4451   12.789   10.150   40.157   15.223   41.290   14.568   69.379   16.442 -28.08895 21.96781 
1 1 1   16   22    7 f   25.199   11.355  -2.5365   8.1801  -2.5365   8.1801   0.0000   0.0000   25.199   11.355  ?   ?       ?      ? 
1 1 1   16   22    8 o   45.048   11.443   15.622   6.9989   15.622   6.9989   0.0000   0.0000   45.048   11.443  ?   ?       ?      ? 
1 1 1   16   22    9 o   69.753   8.5927   34.790   8.1222   34.790   8.1222   0.0000   0.0000   69.753   8.5927  ?   ?       ?      ? 
1 1 1   16   22   10 o   61.674   9.5235   27.543   7.9594   27.543   7.9594   0.0000   0.0000   61.674   9.5235  ?   ?       ?      ? 
1 1 1   16   22   11 o   40.423   14.275   12.272   9.7479   12.272   9.7479   0.0000   0.0000   40.423   14.275  ?   ?       ?      ? 
1 1 1   16   22   12 o   23.387   10.898  -6.0140   8.4383  -6.0140   8.4383   0.0000   0.0000   23.387   10.898  ?   ?       ?      ? 
1 1 1   16   22   13 o   33.445   13.346   6.0872   9.1169   6.0872   9.1169   0.0000   0.0000   33.445   13.346  ?   ?       ?      ? 
1 1 1   16   22   14 o   39.993   14.204   12.015   9.6650   12.015   9.6650   0.0000   0.0000   39.993   14.204  ?   ?       ?      ? 
1 1 1   16   23    0 o   37.590   15.559   7.6529   12.939   0.0000   0.0000   7.6529   12.939  ?   ?    37.590   15.559      ?      ? 
1 1 1   16   23    1 o   49.018   11.579   20.283   8.9504   18.696   11.774   22.456   13.776   47.240   15.720   50.796   17.006 -3.555397 23.15874 
1 1 1   16   23    2 o   42.310   11.040   11.173   8.7267   2.9123   11.243   23.694   13.841   32.643   14.050   51.977   17.032 -19.33410 22.07945 
1 1 1   16   23    3 o   49.976   11.642   21.592   9.0986   22.308   11.759   20.525   14.362   51.187   15.567   48.765   17.316 2.422741 23.28475 
1 1 1   16   23    4 o   33.325   10.068   0.9838   8.1620  -5.6220   10.490   11.121   12.994   26.465   12.270   40.186   15.966 -13.72065 20.13587 
1 1 1   16   23    5 o   49.710   11.516   21.365   8.8939   21.935   11.465   20.504   14.093   50.785   15.355   48.636   17.165 2.148590 23.03113 
1 1 1   16   23    6 o   46.508   15.447   18.186   11.371   18.186   11.371   0.0000   0.0000   46.508   15.447  ?   ?       ?      ? 
1 1 1   16   23    7 o   36.532   12.679   10.075   7.6702   10.075   7.6702   0.0000   0.0000   36.532   12.679  ?   ?       ?      ? 
1 1 1   16   23    8 o   82.752   8.2855   49.382   9.2914   49.382   9.2914   0.0000   0.0000   82.752   8.2855  ?   ?       ?      ? 
1 1 1   16   24    0 o   64.186   10.632   36.370   9.9050   20.177   13.624   54.527   14.426   46.510   16.824   81.862   13.004 -35.35234 21.26384 
1 1 1   17    0    0 o  429.254   8.1012  1250.16   47.087  1250.16   47.087   0.0000   0.0000  429.254   8.1012  429.254   8.1012 -0.000000 0.000000 
1 1 1   17    0    1 f  641.367   15.390  2794.78  133.590  2794.78  133.590   0.0000   0.0000  641.367   15.390  641.367   15.390 -0.000000 0.000000 
1 1 1   17    0    2 o  291.406   9.2768  577.328   36.549  577.328   36.549   0.0000   0.0000  291.406   9.2768  291.406   9.2768 -0.000000 0.000000 
1 1 1   17    0    3 o  236.520   8.5807  380.653   27.421  380.653   27.421   0.0000   0.0000  236.520   8.5807  236.520   8.5807 -0.000000 0.000000 
1 1 1   17    0    4 o  335.138   9.8689  763.312   44.732  763.312   44.732   0.0000   0.0000  335.138   9.8689  335.138   9.8689 -0.000000 0.000000 
1 1 1   17    0    5 o  620.174   14.947  2613.01  125.453  2613.01  125.453   0.0000   0.0000  620.174   14.947  620.174   14.947 -0.000000 0.000000 
1 1 1   17    0    6 o  1062.88   23.959  7684.72  344.695  7684.72  344.695   0.0000   0.0000  1062.88   23.959  1062.88   23.959 -0.000000 0.000000 
1 1 1   17    0    8 o  1225.37   19.377 10217.06  321.317 10017.88  448.108 10427.85  460.987  1213.09   27.290  1237.65   27.516 -0.000000 0.000000 
1 1 1   17    0    9 f  975.742   15.671  6471.73  206.915  6349.68  288.569  6600.87  296.850  966.280   22.064  985.205   22.260 -0.000000 0.000000 
1 1 1   17    0   10 o  472.494   8.6339  1516.78   55.196  1532.66   77.970  1500.83   78.148  474.986   12.131  470.002   12.289 -0.000000 0.000000 
1 1 1   17    0   11 o  319.188   6.8635  688.154   29.530  634.645   39.905  752.925   43.904  305.526   9.6600  332.850   9.7525 -0.000000 0.000000 
1 1 1   17    0   13 o  648.908   10.977  2861.35   96.402  2863.27  135.982  2859.42  136.686  649.133   15.478  648.684   15.569 -0.000000 0.000000 
1 1 1   17    0   14 o  864.185   14.042  5067.89  164.056  4862.60  225.527  5298.60  239.088  845.630   19.705  882.739   20.010 -0.000000 0.000000 
1 1 1   17    0   16 o  197.445   5.8710  263.416   15.577  236.046   20.985  297.004   23.247  186.050   8.3618  208.840   8.2434 -0.000000 0.000000 
1 1 1   17    0   17 o  561.010   9.7801  2133.65   74.153  2038.76  101.744  2241.16  108.299  547.725   13.727  574.294   13.934 -0.000000 0.000000 
1 1 1   17    0   18 o  907.271   14.669  5599.49  180.120  5531.51  252.222  5670.23  257.311  901.658   20.667  912.883   20.824 -0.000000 0.000000 
1 1 1   17    0   19 o  162.824   5.7598  181.117   12.604  181.931   17.249  180.183   18.463  163.268   7.8373  162.381   8.4425 -0.000000 0.000000 
1 1 1   17    0   20 o  196.611   5.8542  263.427   15.514  263.386   21.406  263.473   22.518  196.623   8.0645  196.598   8.4881 -0.000000 0.000000 
1 1 1   17    0   21 o  871.152   14.153  5156.23  166.739  5382.91  241.811  4950.75  230.225  889.391   20.086  852.912   19.944 -0.000000 0.000000 
1 1 1   17    0   22 o  595.886   10.265  2400.26   82.525  2237.04  111.569  2597.44  122.630  573.624   14.373  618.148   14.658 -0.000000 0.000000 
1 1 1   17    0   23 o  367.543   7.3483  918.369   36.525  943.213   51.727  893.667   51.580  372.527   10.264  362.559   10.518 -0.000000 0.000000 
1 1 1   17    0   24 o  365.281   7.3234  907.216   36.178  917.985   50.879  896.203   51.454  367.493   10.234  363.069   10.478 -0.000000 0.000000 
1 1 1   17    0   25 o  480.627   8.7246  1569.61   56.719  1542.26   78.928  1598.82   81.562  476.303   12.247  484.951   12.430 -0.000000 0.000000 
1 1 1   17    0   26 o  621.777   10.624  2614.65   89.118  2436.97  120.402  2829.95  132.534  598.534   14.865  645.021   15.182 -0.000000 0.000000 
1 1 1   17    0   27 o  355.034   10.328  857.177   49.597   0.0000   0.0000  857.177   49.597  355.034   10.328  355.034   10.328 -0.000000 0.000000 
1 1 1   17    0   28 o  300.138   9.5483  612.845   38.747   0.0000   0.0000  612.845   38.747  300.138   9.5483  300.138   9.5483 -0.000000 0.000000 
1 1 1   17    0   29 f  175.724   8.4848  210.868   20.098   0.0000   0.0000  210.868   20.098  175.724   8.4848  175.724   8.4848 -0.000000 0.000000 
1 1 1   17    0   30 o  504.341   9.0714  1727.78   61.855  1823.58   89.429  1639.92   85.646  517.759   12.763  490.923   12.894 -0.000000 0.000000 
1 1 1   17    0   31 o  285.438   6.5495  554.146   25.254  546.881   34.939  562.093   36.545  283.494   9.1158  287.383   9.4067 -0.000000 0.000000 
1 1 1   17    0   32 f  283.952   6.5451  547.577   25.093  525.354   34.449  572.696   36.625  277.820   9.1727  290.085   9.3388 -0.000000 0.000000 
1 1 1   17    0   33 o  553.367   9.7229  2084.55   72.798  2135.78  103.821  2034.99  102.104  560.077   13.698  546.657   13.803 -0.000000 0.000000 
1 1 1   17    0   34 o  268.174   6.4428  488.609   23.325  467.215   32.057  512.678   34.002  261.936   9.0558  274.412   9.1668 -0.000000 0.000000 
1 1 1   17    0   35 o  259.588   8.8530  458.846   31.061  458.846   31.061   0.0000   0.0000  259.588   8.8530  259.588   8.8530 -0.000000 0.000000 
1 1 1   17    0   36 o  290.439   9.2326  574.259   36.255  574.259   36.255   0.0000   0.0000  290.439   9.2326  290.439   9.2326 -0.000000 0.000000 
1 1 1   17    0   38 o  361.357   7.3804  888.635   36.050  933.600   51.593  845.738   50.393  370.330   10.299  352.384   10.574 -0.000000 0.000000 
1 1 1   17    0   39 o  329.393   7.0577  738.554   31.418  776.374   44.934  702.380   43.945  337.686   9.8382  321.101   10.122 -0.000000 0.000000 
1 1 1   17    0   40 o  280.572   6.5770  536.379   24.935  554.004   35.322  518.869   35.206  285.205   9.1605  275.939   9.4401 -0.000000 0.000000 
1 1 1   17    0   41 o  289.638   6.6802  571.572   26.153  572.332   36.702  570.787   37.276  289.848   9.3662  289.428   9.5274 -0.000000 0.000000 
1 1 1   17    0   42 o  432.585   8.2469  1273.50   48.223  1344.97   69.692  1207.84   66.796  444.251   11.594  420.918   11.731 -0.000000 0.000000 
1 1 1   17    0   43 o  559.345   9.8738  2134.28   74.703  2081.48  103.757  2191.12  107.643  552.177   13.886  566.513   14.041 -0.000000 0.000000 
1 1 1   17    0   44 o  229.854   6.2662  359.924   19.438  346.135   26.887  375.025   28.136  225.232   8.8399  234.477   8.8836 -0.000000 0.000000 
1 1 1   17    0   45 o  115.633   6.5701   93.321   9.9411  113.946   14.208   73.540   13.914  128.761   8.2193  102.505   10.252 -0.000000 0.000000 
1 1 1   17    0   46 o  303.245   6.8767  626.182   28.174  603.599   39.004  650.824   40.743  297.523   9.6972  308.968   9.7529 -0.000000 0.000000 
1 1 1   17    0   47 o  577.848   14.429  2283.38  112.826   0.0000   0.0000  2283.38  112.826  577.848   14.429  577.848   14.429 -0.000000 0.000000 
1 1 1   17    0   48 o  349.648   10.562  834.038   49.940   0.0000   0.0000  834.038   49.940  349.648   10.562  349.648   10.562 -0.000000 0.000000 
1 1 1   17    0   49 o  380.835   7.7228  989.714   39.777  992.557   55.844  986.785   56.671  381.416   10.824  380.255   11.019 -0.000000 0.000000 
1 1 1   17    0   50 o  127.913   6.6410  113.595   11.294  125.539   15.828  101.207   16.119  135.074   8.7310  120.753   10.009 -0.000000 0.000000 
1 1 1   17    0   51 f  162.307   6.4014  181.074   13.946  194.056   19.670  167.953   19.775  168.303   8.6771  156.310   9.4139 -0.000000 0.000000 
1 1 1   17    0   52 o  352.995   7.4614  850.672   35.616  867.957   50.501  833.568   50.237  356.592   10.471  349.398   10.632 -0.000000 0.000000 
1 1 1   17    0   53 f  315.707   10.005  680.494   42.707  680.494   42.707   0.0000   0.0000  315.707   10.005  315.707   10.005 -0.000000 0.000000 
1 1 1   17    0   54 o  387.421   11.099  1025.65   58.160  1025.65   58.160   0.0000   0.0000  387.421   11.099  387.421   11.099 -0.000000 0.000000 
1 1 1   17    0   56 o  169.586   9.0228  197.408   20.601  197.408   20.601   0.0000   0.0000  169.586   9.0228  169.586   9.0228 -0.000000 0.000000 
1 1 1   17    0   57 o  299.369   7.0714  612.088   28.555  669.086   41.210  559.445   39.604  312.871   9.7411  285.867   10.253 -0.000000 0.000000 
1 1 1   17    0   58 o   91.100   8.0628   59.706   9.4048   65.808   13.060   53.133   13.554   96.634   10.236   85.567   12.460 -0.000000 0.000000 
1 1 1   17    0   59 o   93.004   8.2469   62.801   9.6038   74.507   13.417   50.503   13.753  103.132   9.8039   82.876   13.264 -0.000000 0.000000 
1 1 1   17    0   60 f  161.023   6.5675  176.742   14.109  149.872   18.963  210.059   21.116  147.240   9.5974  174.807   8.9676 -0.000000 0.000000 
1 1 1   17    0   61 o   60.195   11.754   31.166   8.4524   38.369   11.580   22.953   12.365   71.355   13.343   49.034   19.355 -0.000000 0.000000 
1 1 1   17    0   63 o  100.830   7.8396   72.172   10.366   70.676   14.215   73.871   15.150   99.784   10.836  101.877   11.332 -0.000000 0.000000 
1 1 1   17    0   64 o   28.878   16.705   7.4374   10.616   0.0000   0.0000   7.4374   10.616   28.878   16.705   28.878   16.705 -0.000000 0.000000 
1 1 1   17    0   65 o   90.307   12.199   59.266   14.162   0.0000   0.0000   59.266   14.162   90.307   12.199   90.307   12.199 -0.000000 0.000000 
1 1 1   17    0   66 o   70.306   10.653   38.785   8.8749   39.996   12.158   37.403   12.985   72.336   13.881   68.277   16.164 -0.000000 0.000000 
1 1 1   17    0   67 o  167.109   6.7787  194.978   15.136  217.124   21.293  172.358   21.520  177.117   8.9233  157.102   10.207 -0.000000 0.000000 
1 1 1   17    0   68 o   86.157   8.5767   54.376   9.4285   52.510   12.902   56.513   13.812   84.595   11.940   87.719   12.316 -0.000000 0.000000 
1 1 1   17    0   69 o   77.338   12.616   44.810   12.165   44.810   12.165   0.0000   0.0000   77.338   12.616   77.338   12.616 -0.000000 0.000000 
1 1 1   17    0   70 o   58.055   16.473   28.817   11.227   28.817   11.227   0.0000   0.0000   58.055   16.473   58.055   16.473 -0.000000 0.000000 
1 1 1   17    0   71 o   21.851   9.9294  -0.1293   7.0854   4.6901   9.2233  -7.0686   11.067   24.725   14.958   18.976   13.063 -0.000000 0.000000 
1 1 1   17    0   72 o  113.964   7.8961   94.934   11.631  106.462   15.810   81.334   17.172  122.657   9.6488  105.272   12.502 -0.000000 0.000000 
1 1 1   17    0   73 o   36.014   12.546   13.820   7.9492   19.298   10.921   7.6462   11.593   43.196   18.365   28.831   17.098 -0.000000 0.000000 
1 1 1   17    0   74 o   78.261   9.9502   47.671   9.4745   50.157   13.105   44.948   13.714   81.350   12.845   75.171   15.200 -0.000000 0.000000 
1 1 1   17    0   75 o   18.220   8.8880  -9.1871   7.0518 -16.3507   9.2304   0.8553   10.929   13.546   9.7817   22.895   14.843 -0.000000 0.000000 
1 1 1   17    0   76 o  100.042   8.8532   76.000   10.954   89.533   15.022   60.636   16.006  111.606   10.124   88.478   14.526 -0.000000 0.000000 
1 1 1   17    0   77 o   52.772   12.508   27.405   8.7731   36.402   12.158   17.630   12.672   66.314   15.571   39.230   19.579 -0.000000 0.000000 
1 1 1   17    0   78 o   46.702   13.263   22.796   8.6994   29.214   12.279   16.328   12.326   55.798   18.311   37.606   19.191 -0.000000 0.000000 
1 1 1   17    0   79 o   76.658   15.612   47.756   14.348   0.0000   0.0000   47.756   14.348   76.658   15.612   76.658   15.612 -0.000000 0.000000 
1 1 1   17    0   80 o   48.498   13.271   24.801   9.0026   32.244   12.579   16.984   12.890   59.230   17.958   37.767   19.543 -0.000000 0.000000 
1 1 1   17    0   81 o   28.455   12.045   8.0666   8.3703   10.156   11.505   5.7165   12.201   30.222   17.430   26.689   16.628 -0.000000 0.000000 
1 1 1   17    0   82 o   24.269   11.073   2.6972   8.4693   3.1063   11.864   2.2721   12.094   24.455   15.706   24.083   15.613 -0.000000 0.000000 
1 1 1   17    0   83 o   51.680   20.412   29.228   13.750   29.228   13.750   0.0000   0.0000   51.680   20.412   51.680   20.412 -0.000000 0.000000 
1 1 1   17    0   84 o   29.212   12.196   7.7385   9.1409   16.859   12.754  -1.8959   13.108   36.226   19.248   22.199   14.983 -0.000000 0.000000 
1 1 1   17    0   85 o   46.229   14.065   25.698   9.7912   33.438   13.822   17.901   13.872   56.098   19.952   36.361   19.830 -0.000000 0.000000 
1 1 1   17    0   86 o   42.441   14.344   23.555   9.8591   29.111   14.014   18.112   13.873   48.919   20.805   35.964   19.753 -0.000000 0.000000 
1 1 1   17    1    0 o  1400.01   15.532 13331.79  294.647 13141.81  412.828 13529.06  420.670  1389.86   21.919  1410.16   22.014 -20.30408 31.06489 
1 1 1   17    1    1 o  813.951   9.3937  4492.85  103.579  4379.75  144.281  4613.13  148.791  803.390   13.253  824.512   13.317 -21.12140 18.78733 
1 1 1   17    1    2 o  779.143   9.0367  4118.90   95.413  4122.92  135.135  4114.89  134.735  779.521   12.793  778.764   12.767 0.7575684 18.07339 
1 1 1   17    1    3 o  999.300   11.302  6779.43  153.041  6681.79  214.668  6880.34  218.242  991.987   15.969  1006.61   15.999 -14.62665 22.60479 
1 1 1   17    1    4 o  1017.16   13.282  7067.08  159.163  6957.42  315.066  7104.66  184.426  1011.09   22.995  1023.23   13.300 -12.14496 26.56433 
1 1 1   17    1    5 o  1068.96   13.891  7732.86  173.569  7836.23  350.176  7699.19  199.846  1072.81   24.087  1065.12   13.846 7.692505 27.78281 
1 1 1   17    1    6 o  824.339   10.998  4663.37  107.259  4511.54  210.071  4716.90  124.744  814.749   19.027  833.929   11.038 -19.17987 21.99674 
1 1 1   17    1    7 o  488.112   6.2428  1615.26   41.292  1598.36   58.077  1632.53   58.719  485.532   8.8267  490.692   8.8306 -5.160706 12.48562 
1 1 1   17    1    8 o  502.185   6.3644  1709.22   43.302  1672.16   60.499  1748.16   62.005  496.605   8.9900  507.765   9.0112 -11.15991 12.72875 
1 1 1   17    1    9 o  401.210   5.4755  1091.25   29.770  1088.89   42.040  1093.61   42.162  400.776   7.7407  401.644   7.7463 -0.8674927 10.95092 
1 1 1   17    1   10 f  697.245   8.2176  3297.84   77.643  3276.68  109.377  3319.34  110.236  694.990   11.613  699.499   11.629 -4.509399 16.43515 
1 1 1   17    1   11 o  774.248   8.9888  4067.71   94.310  4052.00  133.048  4083.57  133.704  772.746   12.705  775.749   12.719 -3.003113 17.97755 
1 1 1   17    1   12 o  835.843   9.6280  4741.98  109.053  4757.36  154.537  4726.73  153.915  837.192   13.621  834.494   13.611 2.698547 19.25593 
1 1 1   17    1   13 o  400.994   5.4596  1090.14   29.667  1087.41   41.898  1092.88   42.014  400.491   7.7200  401.496   7.7220 -1.005676 10.91913 
1 1 1   17    1   14 f  669.610   7.9442  3041.53   72.081  3079.94  102.740  3004.30  101.155  673.771   11.252  665.449   11.217 8.322266 15.88844 
1 1 1   17    1   15 o  523.489   8.0192  1862.75   53.696  1849.10   92.605  1869.67   65.906  521.922   13.093  525.057   9.2627 -3.134827 16.03839 
1 1 1   17    1   16 o  618.945   9.1267  2605.31   72.256  2586.07  124.602  2615.06   88.691  617.028   14.902  620.862   10.542 -3.833862 18.25335 
1 1 1   17    1   17 o  1016.90   14.091  7051.94  183.339  7000.56  315.894  7078.04  225.136  1013.32   23.005  1020.48   16.280 -7.165100 28.18243 
1 1 1   17    1   18 o  907.054   10.373  5589.25  127.501  5552.51  179.625  5626.56  181.011  904.050   14.662  910.057   14.678 -6.006042 20.74614 
1 1 1   17    1   19 o  638.776   7.6400  2768.82   66.133  2785.28   93.889  2752.61   93.167  640.660   10.815  636.893   10.795 3.766541 15.28009 
1 1 1   17    1   20 o  647.773   10.958  2847.78   96.188  2847.78   96.188   0.0000   0.0000  647.773   10.958  ?   ?       ?      ? 
1 1 1   17    1   21 o  568.328   6.9631  2191.50   53.627  2185.75   75.725  2197.28   75.955  567.581   9.8453  569.076   9.8493 -1.495239 13.92618 
1 1 1   17    1   22 o  518.004   7.9633  1812.60   52.522  1847.52   92.002  1795.71   63.971  521.523   13.018  514.484   9.1755 7.039307 15.92661 
1 1 1   17    1   23 o  242.147   5.2993  396.257   16.357  401.728   28.554  393.584   19.956  243.351   8.6588  240.943   6.1120 2.407715 10.59860 
1 1 1   17    1   24 o  503.673   7.8057  1719.91   50.142  1729.89   87.259  1714.98   61.268  504.590   12.761  502.756   8.9928 1.833313 15.61139 
1 1 1   17    1   25 o  709.899   8.3512  3422.24   80.326  3484.69  114.853  3362.44  112.384  716.233   11.833  703.565   11.787 12.66785 16.70232 
1 1 1   17    1   26 o  439.002   5.7952  1307.41   34.474  1324.76   49.032  1290.44   48.480  441.884   8.1883  436.121   8.2031 5.762878 11.59044 
1 1 1   17    1   27 o  480.196   6.1589  1564.67   40.075  1587.53   57.068  1542.43   56.288  483.656   8.7071  476.736   8.7128 6.919800 12.31773 
1 1 1   17    1   28 o  509.515   6.4328  1762.33   44.416  1766.03   62.856  1758.65   62.772  510.049   9.0939  508.982   9.1008 1.066650 12.86556 
1 1 1   17    1   29 o  587.395   7.1732  2343.70   57.097  2332.13   80.436  2355.45   81.063  585.936   10.130  588.854   10.159 -2.918213 14.34638 
1 1 1   17    1   30 o  431.194   5.7395  1261.90   33.536  1251.08   47.148  1272.99   47.710  429.323   8.1040  433.064   8.1297 -3.740204 11.47896 
1 1 1   17    1   31 o  169.648   5.7236  195.191   13.158  195.191   13.158   0.0000   0.0000  169.648   5.7236  ?   ?       ?      ? 
1 1 1   17    1   32 o  483.762   8.7696  1589.47   57.490  1589.47   57.490   0.0000   0.0000  483.762   8.7696  ?   ?       ?      ? 
1 1 1   17    1   33 o  470.991   6.1036  1506.11   38.948  1546.66   55.746  1467.44   54.439  477.183   8.6208  464.799   8.6429 12.38434 12.20728 
1 1 1   17    1   34 o  430.151   5.7438  1256.61   33.481  1267.88   47.486  1245.46   47.213  432.071   8.1102  428.231   8.1358 3.840118 11.48768 
1 1 1   17    1   35 o  487.037   6.2545  1611.47   41.273  1648.29   58.972  1576.12   57.783  492.490   8.8362  481.585   8.8541 10.90463 12.50895 
1 1 1   17    1   36 o  328.996   4.9405  734.567   22.023  720.572   30.789  749.229   31.513  325.790   6.9738  332.202   7.0001 -6.412598 9.881080 
1 1 1   17    1   37 o  232.540   4.3488  367.005   13.701  376.013   19.414  358.065   19.340  235.387   6.0862  229.693   6.2133 5.694351 8.697503 
1 1 1   17    1   38 o  606.871   9.0327  2455.09   69.017  2672.38  125.315  2360.49   82.688  624.935   14.797  588.807   10.363 36.12781 18.06531 
1 1 1   17    1   39 o  472.869   7.5370  1530.98   45.747  1499.04   78.023  1547.72   56.472  468.672   12.285  477.066   8.7352 -8.394135 15.07391 
1 1 1   17    1   40 o  236.443   4.3948  379.539   14.081  380.301   19.863  378.769   19.965  236.683   6.1930  236.202   6.2374 0.4805450 8.789651 
1 1 1   17    1   41 o  118.203   4.3054   94.876   6.8947   97.071   9.7353   92.667   9.7659  119.578   6.0078  116.827   6.1686 2.750343 8.610750 
1 1 1   17    1   42 o  238.064   4.4145  384.833   14.240  391.789   20.207  377.970   20.071  240.204   6.2079  235.924   6.2781 4.280182 8.829049 
1 1 1   17    1   43 o  230.725   4.3832  361.478   13.704  368.167   19.482  354.926   19.279  232.840   6.1744  228.610   6.2232 4.229477 8.766446 
1 1 1   17    1   44 o  158.863   5.1568  169.009   10.463  179.161   18.382  164.144   12.725  162.257   8.3599  155.469   6.0398 6.787735 10.31350 
1 1 1   17    1   45 o  204.526   5.2742  282.464   13.785  290.451   24.020  278.541   16.832  206.548   8.5817  202.505   6.1338 4.042145 10.54837 
1 1 1   17    1   46 o  199.143   4.3212  269.392   11.661  268.660   16.438  270.134   16.546  198.872   6.0993  199.415   6.1228 -0.5427399 8.642336 
1 1 1   17    1   47 o  186.849   6.1355  237.193   15.536  237.193   15.536   0.0000   0.0000  186.849   6.1355  ?   ?       ?      ? 
1 1 1   17    1   48 o  330.188   5.0619  741.477   22.647  754.837   32.179  728.364   31.880  333.140   7.1280  327.236   7.1890 5.904541 10.12373 
1 1 1   17    1   49 o  213.387   4.4256  309.399   12.796  304.830   17.936  314.135   18.261  211.783   6.2495  214.990   6.2680 -3.205994 8.851222 
1 1 1   17    1   50 o  170.375   9.2678  198.056   21.398   0.0000   0.0000  198.056   21.398  ?   ?   170.375   9.2678      ?      ? 
1 1 1   17    1   51 o  261.529   6.6344  465.169   23.513  465.169   23.513   0.0000   0.0000  261.529   6.6344  ?   ?       ?      ? 
1 1 1   17    1   52 o  251.068   5.6709  430.541   18.383  426.208   31.057  432.878   22.809  249.874   9.1717  252.262   6.6721 -2.387543 11.34187 
1 1 1   17    1   54 o  185.363   4.4765  233.772   11.241  240.780   15.915  226.796   15.879  188.146   6.2422  182.581   6.4179 5.565216 8.952932 
1 1 1   17    1   55 o  161.018   4.5169  176.395   9.8546  172.578   13.826  180.336   14.049  159.246   6.4070  162.790   6.3686 -3.544098 9.033786 
1 1 1   17    1   56 o  215.999   5.5623  318.905   15.401  316.734   26.432  320.021   18.950  215.191   9.0639  216.807   6.4500 -1.616241 11.12459 
1 1 1   17    1   57 o  122.717   4.7493  102.615   7.8979  102.967   11.213  102.269   11.126  122.924   6.7315  122.510   6.7016 0.4143829 9.498660 
1 1 1   17    1   58 o  146.070   5.7016  147.220   10.596  141.869   18.309  149.915   12.992  143.823   9.3940  148.317   6.4642 -4.494553 11.40322 
1 1 1   17    1   59 o  132.951   6.5716  120.757   11.810  132.149   17.396  111.017   16.085  138.747   9.2523  127.156   9.3348 11.59137 13.14324 
1 1 1   17    1   60 o  194.187   4.5690  257.121   12.006  276.776   17.226  238.554   16.743  201.430   6.3107  186.944   6.6090 14.48570 9.138040 
1 1 1   17    1   61 o  122.938   4.8554  103.314   8.0889  102.810   11.417  103.822   11.462  122.636   6.8697  123.240   6.8633 -0.6031189 9.710733 
1 1 1   17    1   62 o  181.247   5.6589  221.529   13.062  237.398   23.112  214.082   15.833  185.548   9.1919  176.946   6.6032 8.601746 11.31777 
1 1 1   17    1   63 f  170.097   4.6071  197.938   10.618  202.703   15.126  193.309   14.909  172.123   6.4847  168.072   6.5459 4.050949 9.214183 
1 1 1   17    1   64 f  154.329   4.6580  163.161   9.7344  171.881   13.883  154.729   13.652  158.415   6.4672  150.243   6.7055 8.171860 9.316054 
1 1 1   17    1   65 o  139.411   4.7508  133.353   8.9722  128.622   12.567  138.273   12.814  136.874   6.7751  141.948   6.6616 -5.073212 9.501568 
1 1 1   17    1   66 o  233.359   5.9730  378.894   17.593  381.579   21.371  373.248   30.988  235.620   6.6931  231.098   9.8948 4.521866 11.94590 
1 1 1   17    1   67 o   64.359   9.4080   28.952   8.2053   28.952   8.2053   0.0000   0.0000   64.359   9.4080  ?   ?       ?      ? 
1 1 1   17    1   68 o   60.992   7.2372   26.654   5.8121   30.314   8.3003   23.133   8.1410   65.769   9.3131   56.216   11.080 9.552345 14.47442 
1 1 1   17    1   69 o   80.489   5.9395   45.452   6.4411   40.423   9.1782   50.332   9.0415   75.929   8.9201   85.050   7.8448 -9.121468 11.87891 
1 1 1   17    1   70 f   70.993   6.3095   35.469   6.0690   35.019   8.6229   35.910   8.5434   70.517   9.0235   71.469   8.8212 -0.9521332 12.61894 
1 1 1   17    1   71 o   84.365   6.7742   48.568   7.4064   57.558   12.856   44.103   9.0612   89.537   10.596   79.193   8.4434 10.34408 13.54834 
1 1 1   17    1   72 o   78.647   7.7304   47.023   7.4127   39.466   12.431   51.193   9.2341   71.929   13.241   85.365   7.9824 -13.43611 15.46080 
1 1 1   17    1   73 o   64.432   7.1031   30.185   6.0243   34.683   8.6992   26.041   8.3507   69.731   9.2059   59.133   10.820 10.59801 14.20611 
1 1 1   17    1   74 o   71.566   6.5703   36.810   6.3196   42.259   8.9837   31.472   8.8915   77.107   8.5976   66.025   9.9377 11.08167 13.14061 
1 1 1   17    1   75 o   69.611   6.7184   34.957   6.3282   33.495   9.0485   36.356   8.8534   68.046   9.8128   71.175   9.1791 -3.129616 13.43678 
1 1 1   17    1   76 o   64.878   7.2907   30.688   6.4010   32.899   9.3064   28.704   8.8180   67.126   10.231   62.630   10.390 4.496334 14.58142 
1 1 1   17    1   77 o   30.094   9.0828   1.6538   6.1425   5.1815   10.871  -0.0006   7.4448   34.320   14.238   25.868   11.281 8.451635 18.16570 
1 1 1   17    1   78 o   74.882   6.6561   40.733   6.7459   41.534   9.8213   40.017   9.2817   75.475   9.6025   74.289   9.2198 1.186104 13.31214 
1 1 1   17    1   79 o  104.591   5.7063   78.052   8.0668   86.190   11.808   70.929   11.047  109.775   7.9373   99.407   8.2004 10.36780 11.41261 
1 1 1   17    1   80 o   48.026   7.2138   15.381   6.0356   37.658   8.9358  -3.3091   8.1848   71.720   9.1941   24.332   11.119 47.38828 14.42763 
1 1 1   17    1   81 o   25.743   11.472  -0.8581   8.1001  -0.8581   8.1001   0.0000   0.0000   25.743   11.472  ?   ?       ?      ? 
1 1 1   17    1   82 o   29.160   8.7616   2.8781   6.0688   1.2465   8.5436   4.5397   8.6220   27.735   12.091   30.586   12.684 -2.851702 17.52316 
1 1 1   17    1   83 o   50.603   9.5059   22.000   6.6318   22.634   9.3762   21.366   9.3813   51.437   13.339   49.770   13.547 1.666973 19.01172 
1 1 1   17    1   84 f   39.216   9.5838   13.106   6.3288   16.544   8.9509   9.6687   8.9497   43.272   13.654   35.159   13.452 8.113567 19.16756 
1 1 1   17    1   85 o   35.673   10.018   4.6448   7.2471   22.953   13.213  -3.2328   8.6672   47.186   16.624   24.160   11.184 23.02613 20.03630 
1 1 1   17    1   86 o   36.206   9.5192   10.877   6.5893   5.0178   9.2031   17.041   9.4387   30.070   12.821   42.341   14.074 -12.27160 19.03840 
1 1 1   17    2    0 o  693.285   8.1896  3259.43   76.926  3306.90  110.096  3214.14  107.530  698.213   11.636  688.358   11.527 9.854919 16.37913 
1 1 1   17    2    1 o  737.148   8.6257  3686.42   86.164  3684.32  122.094  3688.49  121.616  736.937   12.226  737.358   12.171 -0.4209595 17.25132 
1 1 1   17    2    2 o  832.626   11.774  4719.81  125.413  4673.00  216.063  4743.60  154.014  829.183   19.229  836.069   13.594 -6.886047 23.54836 
1 1 1   17    2    3 o  545.479   8.3256  2028.32   58.164  1987.95   99.727  2049.13   71.603  541.240   13.597  549.719   9.6119 -8.478760 16.65123 
1 1 1   17    2    4 o  373.636   10.574  946.803   53.540  946.803   53.540   0.0000   0.0000  373.636   10.574  ?   ?       ?      ? 
1 1 1   17    2    5 f  724.482   10.438  3545.55   96.299  3613.71  168.645  3512.57  117.303  729.399   17.062  719.565   12.030 9.833801 20.87630 
1 1 1   17    2    6 o  923.610   12.918  5823.49  152.963  5712.52  261.713  5881.06  188.513  916.461   21.073  930.758   14.946 -14.29749 25.83516 
1 1 1   17    2    7 o  713.407   10.333  3489.41   94.891  3342.33  160.020  3569.18  117.846  701.481   16.834  725.333   11.989 -23.85205 20.66669 
1 1 1   17    2    8 o  566.916   13.960  2181.40  107.247  2181.40  107.247   0.0000   0.0000  566.916   13.960  ?   ?       ?      ? 
1 1 1   17    2    9 o  345.125   6.2319  803.287   27.213  795.640   32.948  819.701   48.271  342.597   7.0967  347.653   10.246 -5.056244 12.46372 
1 1 1   17    2   10 o  356.595   6.3290  860.444   28.600  857.207   34.724  867.272   50.430  355.601   7.2058  357.589   10.407 -1.988739 12.65805 
1 1 1   17    2   11 o  565.204   8.5514  2169.82   61.586  2174.28   75.272  2160.80  107.111  566.217   9.8100  564.192   14.010 2.025452 17.10273 
1 1 1   17    2   12 o  723.420   10.425  3545.06   95.978  3528.92  116.985  3578.30  167.867  721.170   11.970  725.669   17.070 -4.499084 20.84923 
1 1 1   17    2   13 o  678.102   8.0288  3119.40   73.774  3151.03  105.024  3088.58  103.655  681.495   11.372  674.710   11.337 6.784729 16.05770 
1 1 1   17    2   14 o  658.887   7.8518  2945.32   70.106  2961.61   99.500  2929.26   98.793  660.696   11.113  657.079   11.095 3.616638 15.70361 
1 1 1   17    2   15 o  669.310   7.9422  3039.60   72.036  3040.99  101.935  3038.22  101.814  669.462   11.236  669.157   11.228 0.3045654 15.88447 
1 1 1   17    2   16 o  319.090   5.9104  697.862   24.188  667.125   41.082  714.169   29.924  313.611   9.6666  324.569   6.8036 -10.95834 11.82083 
1 1 1   17    2   17 o  493.784   7.6527  1636.18   48.012  1706.60   84.917  1603.10   58.209  501.389   12.498  486.179   8.8351 15.21027 15.30542 
1 1 1   17    2   18 o  376.123   6.3955  941.616   30.518  1010.15   54.477  910.270   36.842  385.846   10.419  366.399   7.4200 19.44644 12.79096 
1 1 1   17    2   19 o  390.891   5.3839  1035.57   28.512  1064.79   40.851  1007.82   39.813  396.265   7.6073  385.518   7.6208 10.74680 10.76787 
1 1 1   17    2   20 o  171.885   4.0401  200.271   9.4105  201.375   13.341  199.178   13.276  172.356   5.7117  171.413   5.7155 0.9429016 8.080255 
1 1 1   17    2   21 o  265.597   8.9207  478.522   32.107  478.522   32.107   0.0000   0.0000  265.597   8.9207  ?   ?       ?      ? 
1 1 1   17    2   22 o  688.099   9.9705  3199.11   87.321  3273.06  153.192  3163.51  106.278  693.600   16.298  682.598   11.489 11.00214 19.94095 
1 1 1   17    2   23 o  594.624   7.2236  2399.85   58.207  2405.12   82.386  2394.59   82.250  595.277   10.213  593.971   10.218 1.305481 14.44719 
1 1 1   17    2   24 o  332.036   4.9242  747.509   22.155  735.376   31.095  760.019   31.573  329.300   6.9681  334.773   6.9597 -5.472290 9.848403 
1 1 1   17    2   25 o  186.936   4.0886  236.571   10.344  220.595   14.353  253.840   14.922  180.376   5.8718  193.495   5.6910 -13.11887 8.177140 
1 1 1   17    2   26 o  217.905   4.2243  321.344   12.459  301.155   17.231  343.465   18.037  210.745   6.0337  225.066   5.9138 -14.32100 8.448573 
1 1 1   17    2   27 o  371.366   6.3465  941.133   30.322  952.354   37.526  920.023   51.469  374.680   7.3907  368.053   10.319 6.626373 12.69295 
1 1 1   17    2   28 o  378.150   6.4329  978.890   31.310  997.337   38.839  944.651   52.914  383.402   7.4753  372.898   10.471 10.50397 12.86571 
1 1 1   17    2   29 o  386.032   5.3541  1011.20   28.008  1009.07   39.443  1013.36   39.777  385.625   7.5479  386.439   7.5956 -0.8142090 10.70814 
1 1 1   17    2   30 o  484.119   6.2111  1591.06   40.742  1567.13   57.066  1615.95   58.187  480.409   8.7656  487.830   8.8019 -7.421295 12.42216 
1 1 1   17    2   31 o  442.331   5.8389  1328.42   34.999  1337.90   49.544  1318.97   49.447  443.909   8.2360  440.753   8.2788 3.156006 11.67772 
1 1 1   17    2   32 o  256.719   4.4382  447.152   15.439  451.497   21.768  442.754   21.900  257.976   6.2267  255.461   6.3260 2.515106 8.876386 
1 1 1   17    2   33 o  479.852   6.1741  1563.85   40.142  1598.90   57.266  1529.98   56.287  485.140   8.7106  474.563   8.7525 10.57761 12.34826 
1 1 1   17    2   34 o  407.730   5.5556  1128.95   30.695  1142.87   43.512  1115.16   43.308  410.236   7.8269  405.225   7.8865 5.010742 11.11116 
1 1 1   17    2   35 o  298.781   5.8869  604.584   22.194  601.258   26.836  611.782   39.481  297.631   6.6536  299.931   9.7136 -2.300446 11.77387 
1 1 1   17    2   36 o  347.858   6.3154  819.297   27.776  813.474   33.631  831.790   49.262  346.125   7.1701  349.590   10.399 -3.465149 12.63090 
1 1 1   17    2   37 o  304.558   4.7810  628.461   19.712  594.902   27.201  665.576   28.605  296.012   6.7809  313.105   6.7418 -17.09329 9.562052 
1 1 1   17    2   38 o  136.765   4.1774  126.899   7.7408  124.404   10.831  129.504   11.067  135.391   5.9032  138.138   5.9121 -2.747055 8.354712 
1 1 1   17    2   39 o  169.307   4.1671  194.593   9.5584  199.055   13.499  190.107   13.536  171.258   5.8167  167.357   5.9685 3.900589 8.334109 
1 1 1   17    2   40 o  248.811   6.2707  420.314   21.143  420.314   21.143   0.0000   0.0000  248.811   6.2707  ?   ?       ?      ? 
1 1 1   17    2   41 o  360.708   7.4022  884.222   36.183   0.0000   0.0000  884.222   36.183  ?   ?   360.708   7.4022      ?      ? 
1 1 1   17    2   42 o  228.575   6.2230  354.793   19.276   0.0000   0.0000  354.793   19.276  ?   ?   228.575   6.2230      ?      ? 
1 1 1   17    2   43 o  166.183   4.2345  187.629   9.5198  201.682   13.539  173.887   13.388  172.352   5.7967  160.014   6.1743 12.33821 8.468982 
1 1 1   17    2   44 o  231.236   4.4243  363.246   13.860  373.295   19.620  353.234   19.583  234.437   6.1757  228.036   6.3372 6.401062 8.848660 
1 1 1   17    2   45 o  276.726   4.6745  520.264   17.527  513.753   24.553  527.030   25.028  274.963   6.5895  278.488   6.6319 -3.524994 9.348927 
1 1 1   17    2   46 o  346.927   5.1821  814.732   24.299  899.766   35.679  741.179   33.183  363.746   7.2383  330.107   7.4179 33.63846 10.36428 
1 1 1   17    2   47 o  230.601   5.6610  366.310   16.412  373.913   19.919  350.239   28.960  234.579   6.2662  226.623   9.4299 7.956024 11.32203 
1 1 1   17    2   48 o  175.287   8.5610  209.347   20.336  209.347   20.336   0.0000   0.0000  175.287   8.5610  ?   ?       ?      ? 
1 1 1   17    2   49 o  218.740   4.4993  325.282   13.334  333.979   18.873  316.615   18.841  221.669   6.2828  215.812   6.4422 5.856522 8.998635 
1 1 1   17    2   50 o  291.086   4.8448  575.659   19.099  549.408   26.527  603.912   27.519  284.198   6.8878  297.974   6.8152 -13.77600 9.689603 
1 1 1   17    2   51 o  350.071   5.2402  833.653   24.848  868.902   35.653  800.364   34.649  357.271   7.3641  342.871   7.4572 14.40033 10.48044 
1 1 1   17    2   52 o  306.211   4.9459  638.144   20.521  649.492   29.065  626.863   28.979  308.936   6.9425  303.486   7.0463 5.449280 9.891830 
1 1 1   17    2   53 o  131.535   5.9898  121.856   9.7422  128.076   11.776  108.367   17.342  137.223   6.3327  125.846   10.169 11.37737 11.97955 
1 1 1   17    2   54 o  223.753   4.5378  340.355   13.753  327.346   19.150  354.213   19.764  219.337   6.4426  228.168   6.3921 -8.831085 9.075583 
1 1 1   17    2   55 o  103.502   5.0306   72.993   7.0540   70.961   9.9579   75.041   9.9939  102.048   7.2008  104.955   7.0267 -2.906418 10.06111 
1 1 1   17    2   56 o  172.337   4.5302  202.043   10.571  213.803   15.174  190.953   14.736  177.217   6.3186  167.457   6.4936 9.759735 9.060384 
1 1 1   17    2   57 o  120.198   4.8770   98.609   7.9261   90.735   11.178  106.573   11.241  115.338   7.1516  125.058   6.6329 -9.719017 9.754025 
1 1 1   17    2   58 o  219.538   5.6200  326.254   15.733  339.186   27.588  320.020   19.153  222.408   9.1534  216.667   6.5233 5.741455 11.24000 
1 1 1   17    2   59 o  129.589   6.7070  114.597   11.778   0.0000   0.0000  114.597   11.778  ?   ?   129.589   6.7070      ?      ? 
1 1 1   17    2   60 o   67.697   7.8564   31.311   6.6915   35.084   11.609   29.433   8.1885   69.973   12.711   65.421   9.2364 4.552422 15.71276 
1 1 1   17    2   61 o   88.970   5.5385   54.356   6.6515   48.525   9.3469   60.339   9.4676   84.078   8.2036   93.862   7.4433 -9.784828 11.07707 
1 1 1   17    2   62 o   90.804   7.6037   57.006   9.3271   60.474   13.875   54.147   12.598   93.266   10.978   88.343   10.523 4.922966 15.20732 
1 1 1   17    2   63 o   44.248   8.3167   13.988   5.4025   20.819   7.6520   7.2002   7.6285   53.766   10.876   34.730   12.585 19.03601 16.63341 
1 1 1   17    2   64 o  158.742   5.6233  176.516   11.474  183.456   14.308  164.012   19.205  163.638   6.4521  153.846   9.2118 9.791809 11.24662 
1 1 1   17    2   65 o  106.358   6.0412   76.043   8.3539   70.719   10.291   86.331   14.306  101.318   7.4950  111.397   9.4769 -10.07849 12.08248 
1 1 1   17    2   66 o  139.900   6.7251  134.602   12.750   0.0000   0.0000  134.602   12.750  ?   ?   139.900   6.7251      ?      ? 
1 1 1   17    2   67 o   42.848   8.5474   13.492   5.1883   12.446   7.3714   14.519   7.3039   41.324   12.271   44.371   11.901 -3.046646 17.09472 
1 1 1   17    2   68 o   79.324   7.3786   42.509   7.4378   39.016   8.9231   50.460   13.463   74.711   8.8135   83.937   11.836 -9.226357 14.75722 
1 1 1   17    2   69 o   87.440   7.0667   53.936   7.8678   53.558   9.6107   54.704   13.700   87.625   8.0937   87.256   11.586 0.3687439 14.13338 
1 1 1   17    2   70 o   60.074   7.1928   26.063   5.7238   25.115   8.2009   26.964   7.9926   58.448   10.750   61.700   9.5592 -3.251469 14.38554 
1 1 1   17    2   71 o   88.598   5.6589   55.032   6.7923   56.835   9.6661   53.273   9.5466   90.063   7.9200   87.134   8.0850 2.928429 11.31782 
1 1 1   17    2   72 o   68.550   6.5472   33.449   6.0820   33.252   8.5803   33.648   8.6223   68.345   9.2643   68.755   9.2541 -0.4098053 13.09446 
1 1 1   17    2   73 o   36.041   8.7134   8.7375   5.9580  -3.3397   10.314   14.786   7.2990   28.089   12.695   43.993   11.939 -15.90482 17.42673 
1 1 1   17    2   74 o   46.138   11.965   16.377   7.5435   0.0000   0.0000   16.377   7.5435  ?   ?    46.138   11.965      ?      ? 
1 1 1   17    2   75 o   47.312   9.4563   18.952   6.5885   10.162   11.799   22.935   7.9421   39.566   15.364   55.058   11.029 -15.49181 18.91265 
1 1 1   17    2   76 o   98.280   5.6890   68.624   7.5765   69.561   10.759   67.703   10.671   98.958   8.0227   97.603   8.0683 1.355751 11.37806 
1 1 1   17    2   77 o   38.598   8.7936   10.699   5.7165   3.9631   8.1330   17.276   8.0367   30.351   12.424   46.846   12.448 -16.49481 17.58718 
1 1 1   17    2   78 o   46.549   8.8385   17.153   5.9163   23.086   8.4118   11.345   8.3227   54.488   11.739   38.609   13.217 15.87903 17.67710 
1 1 1   17    2   79 o   97.528   7.0688   69.546   8.9801   67.719   11.216   72.809   14.989   96.843   8.5464   98.213   11.262 -1.369881 14.13754 
1 1 1   17    2   80 o  107.127   5.7448   82.802   8.3329   80.303   11.887   85.217   11.685  105.376   8.3242  108.878   7.9196 -3.502708 11.48963 
1 1 1   17    2   81 o   63.841   8.0819   32.042   6.7456   26.066   9.5987   37.872   9.4818   56.466   12.835   71.216   9.8250 -14.75025 16.16389 
1 1 1   17    2   82 o   33.345   9.8293   4.0871   7.0983  -0.1829   8.6894   12.652   12.306   26.806   11.918   39.884   15.634 -13.07801 19.65866 
1 1 1   17    2   83 o   72.865   9.7469   45.565   8.7860   46.992   10.805   42.781   15.095   78.266   10.187   67.464   16.620 10.80190 19.49379 
1 1 1   17    2   84 o   39.883   9.7057   13.742   6.4255   17.014   9.3176   10.776   8.8726   43.538   13.952   36.229   13.496 7.309448 19.41134 
1 1 1   17    2   85 o   57.710   8.8559   29.249   6.9595   19.781   9.9706   38.244   9.7186   45.848   14.403   69.572   10.308 -23.72366 17.71188 
1 1 1   17    3    0 o  865.020   12.172  5096.31  135.177  5039.43  231.102  5125.90  166.661  860.993   19.807  869.048   14.152 -8.054688 24.34321 
1 1 1   17    3    1 o  793.963   10.612  4275.29  114.179   0.0000   0.0000  4275.29  114.179  ?   ?   793.963   10.612      ?      ? 
1 1 1   17    3    2 o  712.108   9.6932  3438.67   93.540   0.0000   0.0000  3438.67   93.540  ?   ?   712.108   9.6932      ?      ? 
1 1 1   17    3    3 o  678.481   9.2711  3121.38   85.241   0.0000   0.0000  3121.38   85.241  ?   ?   678.481   9.2711      ?      ? 
1 1 1   17    3    4 o  606.827   8.4623  2496.60   69.588   0.0000   0.0000  2496.60   69.588  ?   ?   606.827   8.4623      ?      ? 
1 1 1   17    3    5 o  780.109   10.442  4127.40  110.385   0.0000   0.0000  4127.40  110.385  ?   ?   780.109   10.442      ?      ? 
1 1 1   17    3    6 o  877.969   11.590  5229.11  137.899   0.0000   0.0000  5229.11  137.899  ?   ?   877.969   11.590      ?      ? 
1 1 1   17    3    7 o  679.557   9.2720  3131.42   85.385   0.0000   0.0000  3131.42   85.385  ?   ?   679.557   9.2720      ?      ? 
1 1 1   17    3    8 o  609.055   8.4854  2515.10   70.034   0.0000   0.0000  2515.10   70.034  ?   ?   609.055   8.4854      ?      ? 
1 1 1   17    3    9 o  559.286   7.9231  2120.70   60.050   0.0000   0.0000  2120.70   60.050  ?   ?   559.286   7.9231      ?      ? 
1 1 1   17    3   10 o  565.500   8.0426  2136.79   52.539  2232.38  108.692  2107.64   60.016  573.445   13.987  557.555   7.9432 15.88971 16.08511 
1 1 1   17    3   11 o  353.373   6.2585  843.935   28.091  854.888   49.371  838.691   34.160  355.014   10.262  351.732   7.1668 3.282898 12.51705 
1 1 1   17    3   12 o  679.319   11.389  3131.08  104.846  3131.08  104.846   0.0000   0.0000  679.319   11.389  ?   ?       ?      ? 
1 1 1   17    3   13 o  400.699   7.7228  1088.61   41.935  1088.61   41.935   0.0000   0.0000  400.699   7.7228  ?   ?       ?      ? 
1 1 1   17    3   14 o  451.032   5.9020  1379.10   36.069  1404.28   51.509  1354.89   50.523  455.069   8.3527  446.995   8.3408 8.073730 11.80408 
1 1 1   17    3   15 o  412.502   5.5576  1153.58   31.064  1136.51   43.590  1171.19   44.281  409.403   7.8569  415.600   7.8624 -6.197784 11.11521 
1 1 1   17    3   16 o  498.640   8.9320  1686.40   60.356  1686.40   60.356   0.0000   0.0000  498.640   8.9320  ?   ?       ?      ? 
1 1 1   17    3   17 o  521.258   8.0758  1845.22   53.498  1847.18   65.209  1841.18   93.565  521.837   9.2212  520.679   13.260 1.158264 16.15150 
1 1 1   17    3   18 o  512.071   7.9668  1759.37   51.455  1725.10   61.983  1835.32   92.286  504.299   9.0699  519.843   13.100 -15.54419 15.93362 
1 1 1   17    3   19 o  539.276   8.2685  1947.10   56.184  1902.17   67.567  2047.79  101.145  529.514   9.4162  549.038   13.594 -19.52441 16.53692 
1 1 1   17    3   20 o  472.366   6.0906  1512.42   38.973  1471.96   54.229  1555.64   56.047  465.839   8.5904  478.894   8.6364 -13.05511 12.18120 
1 1 1   17    3   21 o  365.607   6.2007  891.259   28.972  861.742   35.224  952.992   50.940  356.477   7.2917  374.736   10.031 -18.25961 12.40137 
1 1 1   17    3   22 o  551.455   8.2720  2050.84   58.212  2023.13   70.986  2107.74  101.718  546.012   9.5937  556.897   13.478 -10.88489 16.54408 
1 1 1   17    3   23 o  347.456   6.0237  802.743   26.726  772.237   32.434  867.278   47.173  337.446   7.0927  357.466   9.7382 -20.02081 12.04731 
1 1 1   17    3   24 o  509.429   6.4261  1760.84   44.358  1793.44   63.221  1729.23   62.253  514.073   9.0752  504.784   9.1006 9.289093 12.85219 
1 1 1   17    3   25 o  388.276   6.5755  1016.63   32.569  1043.06   56.930  1003.77   39.708  391.889   10.720  384.664   7.6176 7.224701 13.15096 
1 1 1   17    3   26 o  292.825   5.6897  577.664   21.289  594.271   37.114  569.520   25.990  295.871   9.2567  289.779   6.6185 6.092285 11.37939 
1 1 1   17    3   27 o  331.552   4.9350  745.627   22.171  740.117   31.139  751.293   31.576  330.310   6.9565  332.793   7.0016 -2.482025 9.869970 
1 1 1   17    3   28 o  203.029   4.1770  279.635   11.482  294.550   16.299  264.942   16.178  208.409   5.7713  197.649   6.0401 10.76007 8.354051 
1 1 1   17    3   29 o  516.637   6.5092  1811.72   45.558  1866.85   65.319  1759.50   63.575  524.287   9.1936  508.987   9.2172 15.29962 13.01843 
1 1 1   17    3   30 o  267.226   4.5161  484.151   16.349  473.142   22.768  495.869   23.491  264.093   6.3617  270.359   6.4116 -6.265717 9.032209 
1 1 1   17    3   31 o  338.934   5.0030  779.430   22.973  805.037   32.741  754.598   32.242  344.421   7.0148  333.448   7.1352 10.97345 10.00591 
1 1 1   17    3   32 o  197.119   4.1589  263.465   11.106  258.770   15.477  268.448   15.946  195.311   5.8478  198.927   5.9153 -3.616196 8.317872 
1 1 1   17    3   33 f  234.874   4.3221  373.844   13.748  359.910   19.059  388.961   19.851  230.316   6.1065  239.431   6.1182 -9.114532 8.644173 
1 1 1   17    3   34 o  417.111   5.6388  1181.65   31.871  1202.30   45.280  1161.38   44.867  420.726   7.9418  413.496   8.0070 7.230103 11.27765 
1 1 1   17    3   35 o  490.504   6.2878  1635.38   41.793  1657.25   59.340  1613.85   58.872  493.762   8.8684  487.246   8.9161 6.515961 12.57560 
1 1 1   17    3   36 o  337.019   5.0117  769.079   22.856  725.715   31.361  818.211   33.381  326.915   7.0789  347.122   7.0964 -20.20703 10.02348 
1 1 1   17    3   37 o  255.794   5.4651  446.733   18.014  437.428   30.483  451.728   22.331  253.627   8.8690  257.962   6.3882 -4.335373 10.93013 
1 1 1   17    3   38 f  284.140   6.6789  548.787   25.680  538.536   35.250  560.380   37.487  281.342   9.2458  286.939   9.6408 -5.597443 13.35775 
1 1 1   17    3   39 o  294.108   5.9294  591.452   21.968  597.161   26.627  579.285   38.873  296.540   6.6262  291.675   9.8348 4.864502 11.85874 
1 1 1   17    3   40 o  185.680   4.2448  234.182   10.641  261.181   15.227  208.417   14.876  196.160   5.7284  175.199   6.2656 20.96111 8.489522 
1 1 1   17    3   41 o  286.285   4.7018  556.435   18.227  587.500   26.078  526.764   25.486  294.105   6.5432  278.466   6.7539 15.63913 9.403673 
1 1 1   17    3   42 o  210.125   4.3385  299.073   12.337  280.380   16.987  319.938   17.947  203.192   6.1692  217.058   6.1016 -13.86641 8.676931 
1 1 1   17    3   43 o  230.357   6.2074  360.413   19.377  360.413   19.377   0.0000   0.0000  230.357   6.2074  ?   ?       ?      ? 
1 1 1   17    3   44 f  308.380   9.6983  648.322   40.529  648.322   40.529   0.0000   0.0000  308.380   9.6983  ?   ?       ?      ? 
1 1 1   17    3   45 o  400.671   6.7518  1051.42   34.058  984.308   40.597  1210.87   62.577  380.336   7.8767  421.006   10.968 -40.67007 13.50361 
1 1 1   17    3   46 o   92.181   4.9355   57.713   6.1619   55.413   8.5581   60.189   8.8794   90.276   6.9956   94.086   6.9642 -3.810837 9.871098 
1 1 1   17    3   47 o  303.168   4.9111  621.543   20.106  698.836   29.595  555.290   27.400  320.596   6.8120  285.740   7.0761 34.85617 9.822185 
1 1 1   17    3   48 o  274.662   6.6305  512.907   24.679  512.907   24.679   0.0000   0.0000  274.662   6.6305  ?   ?       ?      ? 
1 1 1   17    3   49 o  168.493   4.4364  192.847   10.125  188.818   14.065  197.181   14.588  166.671   6.2271  170.315   6.3206 -3.643295 8.872796 
1 1 1   17    3   50 o  234.736   4.5285  374.719   14.401  384.989   20.363  364.442   20.370  237.966   6.3144  231.507   6.4928 6.459396 9.056986 
1 1 1   17    3   51 o  143.427   4.4634  139.943   8.6711  143.051   12.170  136.738   12.358  145.055   6.1911  141.799   6.4311 3.255951 8.926847 
1 1 1   17    3   52 o  172.859   4.4260  203.207   10.367  203.928   14.569  202.467   14.754  173.174   6.2083  172.543   6.3099 0.6318359 8.851969 
1 1 1   17    3   53 o  110.506   4.8577   83.265   7.2589   89.141   10.237   77.322   10.295  114.453   6.6001  106.558   7.1294 7.894836 9.715409 
1 1 1   17    3   54 o  110.548   4.8844   83.305   7.3026   89.720   10.359   76.970   10.296  114.802   6.6590  106.295   7.1475 8.507050 9.768763 
1 1 1   17    3   55 o   80.741   7.4650   45.418   7.4182   46.428   8.8674   43.062   13.540   82.481   7.9334   79.001   12.648 3.479980 14.92992 
1 1 1   17    3   56 o  210.735   5.5500  298.829   15.020  316.874   26.085  289.878   18.372  215.185   8.9453  206.284   6.5720 8.901367 11.09998 
1 1 1   17    3   57 o  153.189   5.5321  159.487   10.864  162.965   18.773  157.735   13.320  154.236   8.9821  152.143   6.4607 2.093460 11.06429 
1 1 1   17    3   58 o   70.840   6.1033   34.412   5.8535   35.991   8.2570   32.817   8.2994   72.496   8.4048   69.185   8.8522 3.310356 12.20663 
1 1 1   17    3   59 o  134.592   4.6424  123.607   8.4663  120.844   11.898  126.441   12.049  133.064   6.5984  136.120   6.5322 -3.056915 9.284863 
1 1 1   17    3   60 o   80.603   7.0063   45.195   7.1875   43.691   12.406   45.955   8.8181   79.328   11.541   81.877   7.9474 -2.549179 14.01258 
1 1 1   17    3   61 o  149.383   5.6127  151.783   10.798  157.597   18.545  148.801   13.281  151.242   9.0485  147.525   6.6433 3.716980 11.22537 
1 1 1   17    3   62 o  154.293   5.4853  162.973   10.934  161.715   13.536  165.335   18.549  153.751   6.4966  154.835   8.8402 -1.083923 10.97069 
1 1 1   17    3   63 o  171.654   6.5338  201.808   15.199   0.0000   0.0000  201.808   15.199  ?   ?   171.654   6.5338      ?      ? 
1 1 1   17    3   64 o   92.593   5.3708   59.003   6.7370   60.882   9.6563   57.221   9.4039   94.032   7.5780   91.154   7.6129 2.877556 10.74159 
1 1 1   17    3   65 o   90.884   6.7717   58.706   7.7988   54.172   13.377   61.041   9.5987   87.687   11.258   94.081   7.5289 -6.394073 13.54332 
1 1 1   17    3   66 o  100.661   6.1164   67.317   8.1132   57.758   10.129   84.429   13.552   91.267   8.1897  110.055   9.0868 -18.78837 12.23275 
1 1 1   17    3   67 o   46.006   8.2466   15.775   5.4349   8.6915   7.7839   22.513   7.5919   36.338   12.763   55.674   10.446 -19.33694 16.49322 
1 1 1   17    3   68 o   30.143   8.3511   4.1166   5.0224   2.1513   7.0847   6.1021   7.1210   27.906   11.529   32.381   12.085 -4.475025 16.70226 
1 1 1   17    3   69 o   59.851   7.3380   25.931   5.7951   23.313   8.2250   28.512   8.1663   56.166   11.199   63.536   9.4846 -7.370197 14.67590 
1 1 1   17    3   70 o   79.946   8.6587   51.426   7.8306   57.464   9.3826   37.567   14.215   90.732   7.6310   69.159   15.545 21.57313 17.31736 
1 1 1   17    3   71 o   83.299   7.5248   50.199   7.8081   50.535   9.4066   49.455   14.002   84.771   8.1885   81.828   12.627 2.942841 15.04953 
1 1 1   17    3   72 o   75.413   8.4812   43.908   7.6447   38.098   13.436   46.689   9.2960   69.562   14.713   81.264   8.4414 -11.70183 16.96243 
1 1 1   17    3   73 o  100.365   5.5535   71.003   7.5516   72.506   10.671   69.495   10.689  101.475   7.7598   99.255   7.9467 2.220039 11.10691 
1 1 1   17    3   74 o   49.653   8.5033   18.845   5.9144   11.071   8.1344   27.563   8.6147   38.674   13.067   60.633   10.885 -21.95843 17.00670 
1 1 1   17    3   75 o  140.960   6.0903  137.956   11.098  155.367   19.188  129.204   13.605  146.519   9.6639  135.402   7.4146 11.11743 12.18064 
1 1 1   17    3   76 o   58.797   7.9482   26.012   6.1978   22.998   8.6116   29.251   8.9269   54.473   11.991   63.120   10.436 -8.646236 15.89643 
1 1 1   17    3   77 o   49.244   9.6445   20.334   6.7348   23.238   8.3935   15.085   11.285   54.807   11.659   43.681   15.366 11.12696 19.28893 
1 1 1   17    3   78 o   29.201   7.9071   0.4152   5.4139   11.711   7.6825 -10.7288   7.6307   38.884   12.687   19.517   9.4410 19.36742 15.81414 
1 1 1   17    3   79 o   37.105   8.9226   9.8532   5.8353   3.3630   8.3971   15.914   8.1149   29.778   12.447   44.431   12.788 -14.65373 17.84516 
1 1 1   17    3   80 o   55.016   8.8086   24.478   6.4657   19.384   9.0719   29.736   9.2175   48.382   13.385   61.650   11.455 -13.26807 17.61719 
1 1 1   17    3   81 o   79.823   6.9498   48.164   7.4147   40.906   10.672   54.939   10.310   73.195   10.759   86.451   8.8003 -13.25607 13.89961 
1 1 1   17    3   82 o   78.579   7.0378   47.012   7.3976   39.053   10.422   55.092   10.502   71.083   10.820   86.076   9.0032 -14.99298 14.07568 
1 1 1   17    3   83 o   54.102   9.2638   25.451   6.8372   19.602   9.8776   30.831   9.4735   46.765   14.278   61.438   11.808 -14.67316 18.52763 
1 1 1   17    3   84 o   51.824   11.083   23.658   8.1282   17.800   9.9049   35.739   14.223   43.929   14.409   59.718   16.845 -15.78929 22.16673 
1 1 1   17    3   85 o   39.740   11.245   15.067   9.1764   13.296   12.626   17.049   13.359   38.245   15.548   41.235   16.250 -2.989868 22.48979 
1 1 1   17    4    0 o  757.393   10.796  3934.89  105.600  4032.43  131.703  3759.28  176.712  770.917   12.607  743.870   17.530 27.04675 21.59259 
1 1 1   17    4    1 o  635.558   7.6323  2739.62   65.733  2726.44   92.541  2753.04   93.386  634.017   10.771  637.099   10.817 -3.082336 15.26466 
1 1 1   17    4    2 o  949.956   12.539  6185.38  140.562  6021.56  276.769  6242.33  163.172  940.745   21.710  959.166   12.554 -18.42053 25.07836 
1 1 1   17    4    3 o  951.856   12.573  6274.79  142.282  5908.16  274.558  6409.40  166.364  931.813   21.743  971.899   12.632 -40.08600 25.14598 
1 1 1   17    4    4 o  964.010   12.665  6306.99  142.826  6331.47  287.150  6298.95  164.635  964.540   21.969  963.479   12.610 1.060791 25.33032 
1 1 1   17    4    5 o  711.618   9.7595  3509.95   82.451  3285.81  159.241  3592.05   96.376  695.453   16.897  727.783   9.7721 -32.32965 19.51906 
1 1 1   17    4    6 o  473.525   7.1147  1529.27   39.290  1504.00   78.973  1537.58   45.293  470.794   12.378  476.256   7.0179 -5.462311 14.22945 
1 1 1   17    4    7 o  685.532   9.3871  3145.29   74.439  3275.40  153.565  3105.33   85.106  694.368   16.320  676.697   9.2808 17.67090 18.77429 
1 1 1   17    4    8 o  516.763   7.5660  1819.64   45.670  1795.41   91.653  1827.64   52.675  514.312   13.150  519.214   7.4864 -4.901489 15.13198 
1 1 1   17    4    9 o  683.303   9.9570  3206.37   87.190  3056.52  148.189  3285.72  107.830  670.712   16.304  695.894   11.434 -25.18182 19.91405 
1 1 1   17    4   10 o  523.730   7.6449  1868.84   46.809  1845.07   93.830  1876.72   54.011  521.335   13.281  526.125   7.5754 -4.790039 15.28984 
1 1 1   17    4   11 o  301.500   5.9576  646.764   22.586  528.071   38.010  711.547   28.081  279.013   10.053  323.986   6.3960 -44.97266 11.91517 
1 1 1   17    4   12 o  430.369   6.6225  1232.99   32.803  1300.45   68.385  1212.83   37.385  437.761   11.528  422.977   6.5223 14.78354 13.24498 
1 1 1   17    4   13 o  367.020   6.3509  902.981   29.132  940.970   53.121  886.641   34.838  372.410   10.526  361.631   7.1090 10.77924 12.70175 
1 1 1   17    4   14 o  294.737   5.4997  583.091   20.961  569.662   25.867  608.771   35.770  289.877   6.5849  299.597   8.8105 -9.720581 10.99934 
1 1 1   17    4   15 o  218.507   7.8312  323.768   23.189   0.0000   0.0000  323.768   23.189  ?   ?   218.507   7.8312      ?      ? 
1 1 1   17    4   16 o  503.645   7.6770  1686.63   49.078  1625.65   59.241  1820.09   87.632  489.554   8.9297  517.735   12.490 -28.18167 15.35398 
1 1 1   17    4   17 o  364.522   5.1689  900.982   25.533  898.464   35.965  903.540   36.254  364.009   7.2910  365.034   7.3290 -1.025208 10.33790 
1 1 1   17    4   18 o  534.479   6.6732  1936.58   48.314  2003.67   69.448  1873.65   67.257  543.443   9.4302  525.514   9.4444 17.92975 13.34635 
1 1 1   17    4   19 o  633.911   7.6102  2725.00   65.340  2643.91   90.653  2812.68   94.263  624.110   10.719  643.712   10.806 -19.60175 15.22034 
1 1 1   17    4   20 o  546.052   6.7824  2011.17   50.032  1861.15   67.644  2192.38   74.343  523.710   9.5313  568.394   9.6517 -44.68408 13.56474 
1 1 1   17    4   21 o  681.532   8.0799  3153.83   74.617  3203.34  106.337  3105.81  104.729  686.800   11.425  676.263   11.428 10.53662 16.15977 
1 1 1   17    4   22 o  616.670   9.2514  2616.68   73.052  2685.93   90.318  2485.68  124.229  628.951   10.597  604.389   15.168 24.56171 18.50287 
1 1 1   17    4   23 o  598.631   8.9780  2378.43   67.195  2291.98   80.061  2584.46  123.591  581.006   10.169  616.255   14.799 -35.24921 17.95606 
1 1 1   17    4   24 o  519.761   6.5406  1832.13   46.047  1903.18   66.253  1765.75   64.045  529.500   9.2332  510.021   9.2664 19.47879 13.08124 
1 1 1   17    4   25 o  674.221   8.0146  3088.82   73.222  3129.54  104.184  3049.07  102.929  678.613   11.329  669.830   11.339 8.783081 16.02911 
1 1 1   17    4   26 o  616.481   7.4605  2576.24   62.249  2459.58   85.508  2707.77   90.798  601.677   10.487  631.284   10.614 -29.60675 14.92090 
1 1 1   17    4   27 o  395.010   5.4445  1056.24   29.106  1002.58   39.979  1116.75   42.458  384.364   7.6755  405.655   7.7236 -21.29163 10.88890 
1 1 1   17    4   28 o  599.266   7.2991  2439.89   59.264  2398.25   82.860  2483.50   84.799  594.038   10.293  604.494   10.352 -10.45605 14.59822 
1 1 1   17    4   29 o  391.486   6.6754  1046.91   33.478  1023.85   57.330  1058.84   41.240  388.019   10.903  394.953   7.7053 -6.933136 13.35084 
1 1 1   17    4   30 o  347.761   5.0770  817.489   23.877  762.083   32.586  881.731   35.088  335.089   7.1761  360.434   7.1838 -25.34531 10.15396 
1 1 1   17    4   31 o  298.940   4.7154  606.518   19.100  614.922   26.949  598.034   27.075  301.026   6.6062  296.855   6.7305 4.170776 9.430846 
1 1 1   17    4   32 o  340.667   5.0377  784.378   23.196  866.904   33.999  712.517   31.726  357.366   7.0206  323.968   7.2266 33.39813 10.07539 
1 1 1   17    4   33 o  430.761   7.0865  1280.93   39.473  1197.32   65.450  1328.73   49.486  419.277   11.519  442.245   8.2573 -22.96808 14.17306 
1 1 1   17    4   34 o  403.066   6.7490  1104.67   34.959  1105.84   59.826  1104.06   43.080  402.988   10.955  403.145   7.8855 -0.1564636 13.49802 
1 1 1   17    4   35 o  502.605   6.4160  1714.93   43.662  1806.01   63.197  1631.76   60.394  515.356   9.0491  489.853   9.0980 25.50232 12.83200 
1 1 1   17    4   36 o  200.714   4.2333  272.422   11.493  252.641   15.739  295.014   16.821  192.936   6.0199  208.492   5.9535 -15.55667 8.466635 
1 1 1   17    4   37 o  168.163   5.7469  191.917   13.096  191.917   13.096   0.0000   0.0000  168.163   5.7469  ?   ?       ?      ? 
1 1 1   17    4   38 o  217.199   4.2962  320.359   12.638  323.805   17.631  316.717   18.124  218.409   5.9570  215.990   6.1922 2.419556 8.592366 
1 1 1   17    4   39 o  213.416   4.3352  308.618   12.521  298.010   17.170  320.663   18.297  209.513   6.0476  217.318   6.2129 -7.805222 8.670323 
1 1 1   17    4   40 o  169.003   6.2264  193.239   14.179  184.395   18.899  204.627   21.445  164.633   8.4710  173.373   9.1278 -8.740112 12.45287 
1 1 1   17    4   41 o  264.964   6.4703  476.879   23.232  476.879   23.232   0.0000   0.0000  264.964   6.4703  ?   ?       ?      ? 
1 1 1   17    4   42 o  278.422   5.7527  543.238   20.583  584.098   25.923  473.541   33.857  293.217   6.5239  263.625   9.4771 29.59207 11.50550 
1 1 1   17    4   43 o  238.839   4.4790  387.757   14.487  402.853   20.431  372.496   20.543  243.531   6.1910  234.148   6.4743 9.382965 8.957997 
1 1 1   17    4   44 o  168.356   4.2782  192.552   9.7529  193.130   13.537  191.929   14.063  168.627   5.9242  168.085   6.1739 0.5421448 8.556447 
1 1 1   17    4   45 o  394.135   5.5453  1052.70   29.549  1154.23   43.323  964.383   40.407  411.848   7.7625  376.423   7.9212 35.42462 11.09067 
1 1 1   17    4   46 o  249.801   5.5832  421.960   17.918  433.605   30.876  416.047   22.002  252.204   9.0342  247.399   6.5627 4.804718 11.16630 
1 1 1   17    4   47 o  275.462   5.7480  510.884   20.280  534.733   35.317  499.152   24.770  279.984   9.3083  270.940   6.7465 9.044434 11.49603 
1 1 1   17    4   48 o  213.306   4.4837  309.046   12.953  302.296   17.955  316.371   18.704  210.885   6.2830  215.726   6.3982 -4.840851 8.967330 
1 1 1   17    4   49 o  156.051   4.4468  165.657   9.3950  173.729   13.280  157.570   13.293  159.872   6.1300  152.230   6.4435 7.641541 8.893560 
1 1 1   17    4   50 o  223.783   6.3864  340.536   19.367   0.0000   0.0000  340.536   19.367  ?   ?   223.783   6.3864      ?      ? 
1 1 1   17    4   51 o  146.937   4.5059  147.291   8.9197  166.552   12.669  128.361   12.560  156.525   5.9729  137.350   6.7482 19.17511 9.011835 
1 1 1   17    4   52 o  180.993   4.4311  222.632   10.864  215.901   15.109  229.836   15.631  178.164   6.2581  183.822   6.2750 -5.658035 8.862245 
1 1 1   17    4   53 o   70.772   7.0537   34.199   6.5291   34.641   10.772   33.943   8.2091   71.039   11.189   70.506   8.5919 0.5329361 14.10743 
1 1 1   17    4   54 o  162.495   5.3342  174.265   11.264  200.202   19.365  161.003   13.847  171.223   8.3459  153.767   6.6453 17.45552 10.66841 
1 1 1   17    4   55 o  281.720   6.9274  540.915   26.446   0.0000   0.0000  540.915   26.446  ?   ?   281.720   6.9274      ?      ? 
1 1 1   17    4   56 o  165.441   4.5736  186.736   10.234  200.107   14.471  173.359   14.474  171.407   6.2301  159.476   6.6975 11.93082 9.147138 
1 1 1   17    4   57 o  109.722   6.5485   86.169   8.6806   91.144   10.359   74.437   15.908  115.608   6.6120  103.837   11.305 11.77116 13.09705 
1 1 1   17    4   58 o  141.378   5.8573  135.407   10.300  133.111   12.282  140.851   18.911  139.683   6.4885  143.072   9.7536 -3.389984 11.71467 
1 1 1   17    4   59 o  172.305   8.7473  203.942   20.425   0.0000   0.0000  203.942   20.425  ?   ?   172.305   8.7473      ?      ? 
1 1 1   17    4   60 o   86.923   6.3102   49.623   7.1735   43.555   8.8510   61.239   12.246   79.641   8.2011   94.206   9.5926 -14.56434 12.62045 
1 1 1   17    4   61 o  204.117   4.6431  284.794   12.833  300.851   18.396  269.571   17.912  209.745   6.4721  198.488   6.6593 11.25647 9.286237 
1 1 1   17    4   62 o  128.783   5.8596  112.329   9.6197  120.032   16.973  108.684   11.676  131.639   9.5144  125.926   6.8423 5.712570 11.71924 
1 1 1   17    4   63 o   48.625   7.8308   17.272   5.3584   9.0730   7.6634   25.116   7.4953   37.058   12.683   60.192   9.1890 -23.13454 15.66155 
1 1 1   17    4   64 o   43.194   8.5428   13.602   5.1987   13.083   7.4160   14.104   7.2898   42.447   12.227   43.940   11.934 -1.492954 17.08550 
1 1 1   17    4   65 o  102.309   5.1803   72.174   7.1797   74.773   10.264   69.684   10.047  104.124   7.2742  100.494   7.3774 3.630875 10.36053 
1 1 1   17    4   66 o   96.612   7.3777   64.530   9.6590   0.0000   0.0000   64.530   9.6590  ?   ?    96.612   7.3777      ?      ? 
1 1 1   17    4   67 o   73.223   6.1312   37.501   6.0757   35.706   8.6526   39.246   8.5332   71.424   8.9397   75.022   8.3934 -3.598831 12.26242 
1 1 1   17    4   68 o   74.138   7.2833   38.650   7.0101   40.435   11.821   37.682   8.7062   74.973   11.635   73.302   8.7645 1.670181 14.56668 
1 1 1   17    4   69 o   85.737   7.5100   52.584   8.7205   53.829   12.594   51.437   12.086   86.667   10.724   84.807   10.517 1.859467 15.01993 
1 1 1   17    4   70 o   87.210   11.228   55.098   13.270   55.098   13.270   0.0000   0.0000   87.210   11.228  ?   ?       ?      ? 
1 1 1   17    4   71 f   65.535   6.7232   30.608   5.9559   27.777   8.2557   33.680   8.6007   62.283   9.7813   68.787   9.2267 -6.503571 13.44640 
1 1 1   17    4   72 o   61.455   9.4148   31.194   7.0541   34.202   8.3152   23.469   13.324   69.342   8.8489   53.567   16.621 15.77545 18.82957 
1 1 1   17    4   73 o   85.044   7.3909   48.675   7.8212   43.192   9.1811   63.180   14.934   77.874   8.7000   92.215   11.950 -14.34164 14.78178 
1 1 1   17    4   74 o   27.238   8.2858   0.4770   5.6542   3.5307   7.3060  -4.0833   8.9283   29.068   11.823   25.409   11.611 3.658876 16.57150 
1 1 1   17    4   75 o   28.758   8.5200   2.2078   5.7210   5.1669   7.3444  -2.3580   9.1231   30.787   12.075   26.729   12.023 4.058090 17.03990 
1 1 1   17    4   76 o   73.805   6.7035   39.598   6.5485   29.696   9.0292   50.585   9.5115   63.493   10.494   84.118   8.3441 -20.62509 13.40702 
1 1 1   17    4   77 o   45.461   9.8962   17.374   6.8528   11.506   11.918   20.273   8.3760   40.245   15.493   50.677   12.317 -10.43113 19.79239 
1 1 1   17    4   78 o   30.847   8.7750   4.1902   5.7391   8.3492   8.4950   0.6981   7.7842   34.948   13.169   26.746   11.601 8.202826 17.54996 
1 1 1   17    4   79 o   59.050   8.5230   27.532   6.5864   30.112   9.5517   25.193   9.0942   61.911   11.816   56.188   12.286 5.723171 17.04596 
1 1 1   17    4   80 o   60.654   8.2916   29.121   6.6400   24.758   9.5226   33.250   9.2635   54.871   13.005   66.438   10.289 -11.56728 16.58312 
1 1 1   17    4   81 o   69.033   7.5090   36.496   7.0131   36.377   10.185   36.603   9.6711   68.680   10.943   69.386   10.285 -0.7062225 15.01796 
1 1 1   17    4   82 o   33.447   9.7270   7.0181   6.9005   4.3428   12.390   8.2210   8.3083   33.255   14.527   33.640   12.940 -0.3859634 19.45408 
1 1 1   17    4   83 o   55.951   10.166   29.429   7.6486   24.673   13.512   31.672   9.2784   49.491   16.841   62.410   11.390 -12.91890 20.33109 
1 1 1   17    4   84 o   59.142   9.0103   36.822   8.0455   10.198   13.688   50.875   9.9447   36.601   15.621   81.683   8.9841 -45.08206 18.02067 
1 1 1   17    5    0 f  759.268   10.798  3942.11  105.630  4005.17  131.069  3825.27  178.415  768.260   12.590  750.277   17.548 17.98248 21.59697 
1 1 1   17    5    1 o  415.146   6.7076  1160.01   35.778  1141.73   43.909  1196.15   61.717  410.369   7.8957  419.923   10.845 -9.554199 13.41519 
1 1 1   17    5    2 o  587.609   8.6575  2295.59   64.475  2213.94   77.725  2475.74  115.451  571.336   10.039  603.882   14.108 -32.54657 17.31509 
1 1 1   17    5    3 o  679.307   15.944  3134.65  146.771   0.0000   0.0000  3134.65  146.771  ?   ?   679.307   15.944      ?      ? 
1 1 1   17    5    4 o  607.655   10.324  2504.61   85.013   0.0000   0.0000  2504.61   85.013  ?   ?   607.655   10.324      ?      ? 
1 1 1   17    5    5 o  880.311   14.332  5267.52  170.877  5090.58  236.878  5459.49  246.737  864.926   20.210  895.696   20.328 -30.76990 28.66463 
1 1 1   17    5    6 o  687.777   11.666  3208.96  108.622  3089.63  149.625  3341.93  157.943  674.296   16.375  701.257   16.620 -26.96063 23.33158 
1 1 1   17    5    7 o  419.128   8.1937  1190.81   46.511  1156.63   64.440  1227.98   67.200  412.860   11.518  425.396   11.657 -12.53625 16.38736 
1 1 1   17    5    8 o  755.451   12.587  3880.90  128.859  3899.11  182.413  3862.75  182.058  757.224   17.777  753.678   17.825 3.546265 25.17443 
1 1 1   17    5    9 o  922.336   14.988  5793.54  187.319  5724.34  262.523  5865.32  267.362  916.740   21.132  927.931   21.262 -11.19061 29.97701 
1 1 1   17    5   10 o  625.523   10.792  2657.50   91.461  2730.84  130.908  2587.56  127.837  633.953   15.238  617.092   15.287 16.86133 21.58445 
1 1 1   17    5   11 o  494.560   9.0822  1655.86   60.772  1573.86   83.144  1749.92   89.049  481.460   12.743  507.659   12.944 -26.19962 18.16446 
1 1 1   17    5   12 o  402.315   7.9776  1097.06   43.457  1063.75   59.973  1133.88   63.057  395.900   11.179  408.730   11.384 -12.83069 15.95517 
1 1 1   17    5   13 o  714.677   12.018  3473.76  116.379  3537.22  165.738  3412.05  163.454  721.120   16.960  708.235   17.031 12.88531 24.03535 
1 1 1   17    5   14 o  861.176   14.104  5046.94  164.486  4895.33  227.531  5212.91  238.063  847.677   19.807  874.675   20.085 -26.99738 28.20857 
1 1 1   17    5   15 o  704.010   11.868  3371.22  113.212  3337.82  158.558  3405.96  161.701  700.467   16.704  707.552   16.864 -7.085693 23.73666 
1 1 1   17    5   16 o  405.163   6.8155  1103.64   34.987  1142.44   62.106  1085.60   42.345  410.234   11.172  400.092   7.8102 10.14212 13.63099 
1 1 1   17    5   17 f  563.477   6.9469  2152.39   53.018  2232.07   76.439  2078.53   73.599  573.515   9.8353  553.439   9.8135 20.07587 13.89380 
1 1 1   17    5   18 o  344.104   5.0142  802.752   23.378  790.388   32.722  815.643   33.412  341.399   7.0728  346.809   7.1094 -5.409912 10.02838 
1 1 1   17    5   19 o  419.202   5.6296  1192.05   31.980  1200.21   45.231  1183.88   45.222  420.640   7.9350  417.764   7.9880 2.875458 11.25928 
1 1 1   17    5   20 o  599.794   7.2886  2442.23   59.239  2475.04   84.222  2410.11   83.339  603.781   10.293  595.806   10.322 7.974854 14.57729 
1 1 1   17    5   21 o  607.246   7.3611  2503.84   60.572  2533.27   85.984  2474.84   85.344  610.791   10.388  603.701   10.432 7.090332 14.72220 
1 1 1   17    5   22 o  304.020   4.7335  623.962   19.456  576.676   26.511  679.153   28.642  291.594   6.7092  316.445   6.6791 -24.85101 9.466992 
1 1 1   17    5   23 o  113.223   4.0834   86.849   6.2614   84.762   8.6718   89.122   9.0502  111.804   5.7236  114.642   5.8254 -2.837837 8.166699 
1 1 1   17    5   24 o  479.041   6.1735  1550.99   39.988  1683.69   58.802  1436.82   54.543  498.022   8.7128  460.061   8.7486 37.96127 12.34709 
1 1 1   17    5   25 o  494.922   6.3294  1658.91   42.392  1580.11   58.130  1748.43   61.955  482.408   8.8920  507.437   9.0097 -25.02853 12.65873 
1 1 1   17    5   26 o  215.464   5.4587  319.424   14.539  325.942   17.412  304.411   26.424  219.222   5.8612  211.706   9.2106 7.515152 10.91739 
1 1 1   17    5   27 o  297.280   4.6938  599.477   18.905  594.100   26.412  605.125   27.072  295.917   6.5864  298.644   6.6894 -2.727051 9.387666 
1 1 1   17    5   28 o  482.234   7.5668  1590.67   47.043  1551.25   79.435  1611.97   58.383  477.325   12.280  487.143   8.8440 -9.817566 15.13352 
1 1 1   17    5   29 o  661.252   9.6382  2823.44   78.764  3369.14  150.688  2618.30   92.389  702.150   15.837  620.353   10.990 81.79633 19.27649 
1 1 1   17    5   30 o  422.145   5.6951  1209.62   32.569  1183.51   45.360  1237.41   46.792  417.449   8.0184  426.841   8.0895 -9.391693 11.39011 
1 1 1   17    5   31 f  244.275   5.3920  393.583   16.767  438.780   29.971  372.992   20.229  254.107   8.7035  234.442   6.3674 19.66484 10.78401 
1 1 1   17    5   32 o  390.967   6.6882  1037.18   33.442  1046.32   57.909  1032.60   40.964  392.025   10.901  389.908   7.7527 2.116425 13.37632 
1 1 1   17    5   33 o  232.206   4.3698  366.122   13.742  372.384   19.202  359.547   19.675  234.250   6.0489  230.162   6.3082 4.088654 8.739656 
1 1 1   17    5   34 o  210.668   4.2634  301.461   12.161  312.869   17.089  289.756   17.309  214.718   5.8729  206.617   6.1819 8.100479 8.526832 
1 1 1   17    5   35 o  282.211   5.8345  527.550   20.393  508.449   24.124  575.378   38.172  273.661   6.5050  290.762   9.6878 -17.10095 11.66907 
1 1 1   17    5   36 o  281.223   6.8565  539.815   26.048  561.914   35.928  515.330   37.818  287.369   9.2260  275.078   10.145 12.29083 13.71291 
1 1 1   17    5   37 o  231.423   5.3448  373.129   15.903  396.015   19.950  333.239   26.338  241.522   6.0953  221.323   8.7816 20.19952 10.68968 
1 1 1   17    5   38 o  209.041   5.2599  307.084   14.078  332.364   17.700  263.563   23.224  221.266   5.9031  196.817   8.7075 24.44952 10.51986 
1 1 1   17    5   39 o  182.373   4.2561  225.914   10.511  228.253   14.633  223.420   15.108  183.357   5.8891  181.389   6.1461 1.967926 8.512130 
1 1 1   17    5   40 o  380.835   5.4241  979.200   27.892  897.988   37.600  1078.57   41.592  363.408   7.6350  398.263   7.7065 -34.85477 10.84822 
1 1 1   17    5   41 o  210.266   4.3486  300.708   12.372  316.002   17.370  284.960   17.626  215.717   5.9421  204.815   6.3507 10.90173 8.697133 
1 1 1   17    5   42 f  180.152   4.3087  216.989   10.430  184.847   13.845  259.171   15.861  164.960   6.1934  195.344   5.9916 -30.38414 8.617305 
1 1 1   17    5   43 o  110.909   5.9258   84.169   7.8169   84.632   9.1047   82.871   15.246  111.621   6.0191  110.196   10.209 1.425728 11.85163 
1 1 1   17    5   44 o  159.455   4.3138  173.645   9.2512  197.724   13.066  149.436   13.101  170.629   5.6506  148.281   6.5197 22.34811 8.627632 
1 1 1   17    5   45 o   93.203   4.8093   59.166   6.0572   60.618   8.3226   57.530   8.8326   94.436   6.5034   91.971   7.0869 2.464592 9.618649 
1 1 1   17    5   46 o  115.433   4.5276   90.821   7.0614   94.925   9.7667   86.326   10.221  118.190   6.0980  112.676   6.6942 5.513863 9.055219 
1 1 1   17    5   47 o  124.303   4.5880  104.948   7.7203  102.915   10.636  107.213   11.224  123.039   6.3791  125.568   6.5960 -2.528229 9.176089 
1 1 1   17    5   48 o   69.720   8.0012   37.407   6.5770   24.976   11.179   43.988   8.1337   59.056   14.154   80.384   7.4668 -21.32802 16.00246 
1 1 1   17    5   49 o  142.977   4.4866  138.978   8.6824  129.905   12.161  148.411   12.400  138.206   6.4931  147.748   6.1933 -9.541321 8.973173 
1 1 1   17    5   50 o  103.933   5.6295   71.723   7.6983   81.400   12.802   66.242   9.6349  109.228   8.6491   98.638   7.2081 10.58952 11.25897 
1 1 1   17    5   51 o  162.812   4.4447  180.567   9.7880  192.603   13.809  168.415   13.876  168.296   6.0550  157.329   6.5082 10.96614 8.889306 
1 1 1   17    5   52 o  209.173   6.4175  297.744   18.191   0.0000   0.0000  297.744   18.191  ?   ?   209.173   6.4175      ?      ? 
1 1 1   17    5   53 o  228.501   4.5791  355.619   14.167  373.372   20.067  337.976   20.004  234.215   6.3223  222.788   6.6259 11.42735 9.158285 
1 1 1   17    5   54 o  189.638   4.5243  244.391   11.615  232.827   16.002  257.267   16.885  184.908   6.3861  194.367   6.4107 -9.459244 9.048692 
1 1 1   17    5   55 o  131.345   4.7572  118.281   8.3993  134.841   11.844  101.526   11.913  140.706   6.2114  121.984   7.2070 18.72195 9.514338 
1 1 1   17    5   56 o  205.193   5.4974  292.493   14.482  303.327   18.014  272.698   24.349  210.964   6.3011  199.421   9.0101 11.54204 10.99477 
1 1 1   17    5   57 o  136.662   5.4374  123.039   9.6072  113.047   11.728  143.420   16.750  128.694   6.7250  144.630   8.5462 -15.93593 10.87485 
1 1 1   17    5   58 o   64.184   6.9340   29.065   5.7929   34.649   8.1834   23.457   8.2014   71.050   8.4994   57.317   10.958 13.73219 13.86807 
1 1 1   17    5   59 o   86.211   7.4915   53.057   7.7629   55.113   9.1901   47.935   14.503   89.679   7.5622   82.742   12.935 6.936852 14.98309 
1 1 1   17    5   60 o  164.539   4.6011  185.204   10.256  187.817   14.390  182.506   14.621  165.742   6.4069  163.336   6.6054 2.406448 9.202170 
1 1 1   17    5   62 o  120.330   4.9134   99.154   7.9813   87.658   11.017  111.851   11.579  112.951   7.1975  127.709   6.6904 -14.75825 9.826839 
1 1 1   17    5   63 o   39.709   8.4466   11.034   5.0674   7.2734   7.0670   15.015   7.2702   34.113   12.143   45.305   11.744 -11.19240 16.89323 
1 1 1   17    5   64 o   51.513   9.0154   20.520   6.0939   15.900   10.676   22.753   7.4217   46.804   14.927   56.221   10.113 -9.416405 18.03076 
1 1 1   17    5   65 o   38.809   8.5463   10.781   5.0231   8.8990   7.2565   12.512   6.9602   36.267   12.342   41.351   11.826 -5.084492 17.09270 
1 1 1   17    5   66 o   57.373   8.6644   25.130   6.3372   20.674   10.802   27.469   7.8255   52.152   14.669   62.595   9.2255 -10.44299 17.32884 
1 1 1   17    5   67 o   52.994   9.0606   20.033   6.1476   25.190   10.762   17.535   7.4900   57.457   13.959   48.531   11.555 8.925579 18.12123 
1 1 1   17    5   68 o   70.648   6.3470   35.383   6.0100   29.581   8.4971   41.191   8.5017   64.586   9.7084   76.711   8.1784 -12.12466 12.69409 
1 1 1   17    5   69 o   38.096   8.5560   10.405   5.0710   13.598   7.2781   7.3920   7.0694   42.502   12.071   33.690   12.129 8.812809 17.11191 
1 1 1   17    5   70 o   56.055   7.5951   23.083   5.6462   20.470   7.9029   25.807   8.0696   52.101   11.501   60.008   9.9233 -7.907455 15.19030 
1 1 1   17    5   71 o   30.027   8.8362   2.2716   5.7490   5.7147   9.6158   0.3563   7.1719   34.058   13.666   25.995   11.205 8.062893 17.67240 
1 1 1   17    5   72 o   77.486   7.4153   44.207   7.4780   45.927   9.4961   41.399   12.133   80.312   8.7253   74.660   11.992 5.652130 14.83056 
1 1 1   17    5   73 o   52.553   8.2926   21.185   5.7546   21.155   8.0319   21.216   8.2488   52.582   11.585   52.524   11.869 0.5783463E-01 16.58519 
1 1 1   17    5   74 o   68.242   9.2806   38.924   7.4903   43.081   8.9503   29.210   13.683   77.675   8.5030   58.808   16.499 18.86696 18.56127 
1 1 1   17    5   75 o   61.828   7.4908   28.468   6.1225   25.636   8.5206   31.491   8.8034   57.949   11.256   65.706   9.8870 -7.756634 14.98163 
1 1 1   17    5   76 o   31.105   8.0730   3.5211   5.3364  -5.8839   7.6124   12.609   7.4830   21.982   10.279   40.228   12.452 -18.24589 16.14607 
1 1 1   17    5   77 o   46.998   8.9007   17.508   5.9571   23.335   8.6157   12.170   8.2458   54.495   11.992   39.502   13.156 14.99327 17.80144 
1 1 1   17    5   78 f   41.773   9.6376   14.790   6.9811   2.8098   12.781   19.884   8.3342   33.779   14.755   49.767   12.402 -15.98759 19.27516 
1 1 1   17    5   79 o   47.026   8.2532   17.256   6.4498   2.8722   9.2604   30.808   8.9884   30.080   12.844   63.973   10.368 -33.89300 16.50646 
1 1 1   17    5   80 o   31.160   9.2334   4.4987   6.5442   0.3110   11.233   6.6504   8.0519   30.153   13.468   32.166   12.635 -2.013260 18.46676 
1 1 1   17    5   81 f   60.361   10.176   31.363   7.8848   33.431   13.608   30.318   9.6744   59.791   16.333   60.931   12.143 -1.140614 20.35195 
1 1 1   17    5   82 o   58.226   9.7358   33.552   8.0988   17.325   14.075   41.583   9.9022   42.899   16.747   73.553   9.9345 -30.65388 19.47163 
1 1 1   17    5   83 o   76.178   9.8883   56.183   8.9651   36.233   15.317   66.579   11.057   58.425   17.767   93.931   8.6864 -35.50613 19.77655 
1 1 1   17    5   84 o   30.876   9.6672   3.1492   8.2152  -2.4255   11.852   8.3050   11.398   27.816   12.946   33.935   14.360 -6.119066 19.33435 
1 1 1   17    6    0 f  443.561   5.8751  1333.14   35.302  1376.52   50.710  1292.34   49.173  450.558   8.3054  436.563   8.3119 13.99542 11.75022 
1 1 1   17    6    1 o  347.849   7.1818  820.323   33.854  820.323   33.854   0.0000   0.0000  347.849   7.1818  ?   ?       ?      ? 
1 1 1   17    6    2 o  374.272   7.4693  949.735   37.884  949.735   37.884   0.0000   0.0000  374.272   7.4693  ?   ?       ?      ? 
1 1 1   17    6    3 o  368.922   10.865  923.456   54.317  923.456   54.317   0.0000   0.0000  368.922   10.865  ?   ?       ?      ? 
1 1 1   17    6    4 o  403.421   8.0657  1104.49   44.092  1110.22   62.105  1098.67   62.608  404.480   11.330  402.362   11.482 2.117554 16.13137 
1 1 1   17    6    5 o  375.932   7.7875  958.342   39.651  1004.56   56.821  914.472   55.357  384.767   10.897  367.097   11.128 17.66977 15.57502 
1 1 1   17    6    6 o  531.769   9.6098  1920.27   69.244  1908.30   97.132  1932.63   98.738  530.091   13.522  533.447   13.659 -3.355591 19.21970 
1 1 1   17    6    7 o  367.306   7.6833  913.508   38.199  873.011   52.503  959.052   55.679  358.679   10.802  375.932   10.929 -17.25305 15.36659 
1 1 1   17    6    8 o  439.676   12.084  1312.39   72.001   0.0000   0.0000  1312.39   72.001  ?   ?   439.676   12.084      ?      ? 
1 1 1   17    6    9 o  431.069   11.909  1261.49   69.568  1261.49   69.568   0.0000   0.0000  431.069   11.909  ?   ?       ?      ? 
1 1 1   17    6   10 o  380.585   7.8365  982.667   40.388  972.073   55.959  994.186   58.351  378.455   10.911  382.715   11.251 -4.260468 15.67292 
1 1 1   17    6   11 o  274.755   6.8599  512.317   25.492  554.461   36.362  471.579   35.750  285.883   9.3858  263.628   10.007 22.25412 13.71973 
1 1 1   17    6   12 o  460.879   8.7204  1442.51   54.457  1472.57   77.148  1412.65   76.880  465.675   12.225  456.085   12.439 9.590027 17.44088 
1 1 1   17    6   13 o  848.312   13.953  4904.89  160.395  4873.09  225.296  4937.57  228.403  845.542   19.662  851.081   19.804 -5.539185 27.90694 
1 1 1   17    6   14 o  497.081   9.1499  1678.73   61.630  1679.99   86.625  1677.44   87.700  497.279   12.855  496.883   13.025 0.3960266 18.29973 
1 1 1   17    6   15 o  398.781   7.9837  1075.79   43.058  1014.84   58.689  1146.85   63.367  386.601   11.202  410.961   11.378 -24.36078 15.96743 
1 1 1   17    6   16 f  239.847   6.5413  390.520   21.245  394.402   29.565  386.374   30.549  241.088   9.0493  238.606   9.4480 2.481827 13.08256 
1 1 1   17    6   17 o  376.381   7.7237  961.880   39.375  1003.45   56.081  921.461   55.297  384.412   10.766  368.349   11.078 16.06314 15.44736 
1 1 1   17    6   18 o  450.414   8.5517  1376.29   52.146  1327.12   71.823  1431.09   75.832  441.933   11.993  458.895   12.194 -16.96170 17.10347 
1 1 1   17    6   19 o  380.319   7.7566  982.377   39.954  1028.39   56.946  937.769   56.071  389.103   10.800  371.536   11.137 17.56735 15.51324 
1 1 1   17    6   20 o  261.279   4.4255  462.354   15.658  446.320   21.659  479.910   22.664  256.541   6.2302  266.017   6.2869 -9.476440 8.851029 
1 1 1   17    6   21 o  405.276   5.5161  1114.58   30.293  1122.09   42.714  1106.97   42.968  406.654   7.7511  403.898   7.8503 2.755890 11.03211 
1 1 1   17    6   22 o  444.293   7.0904  1344.92   40.667  1327.70   68.701  1354.22   50.456  441.920   11.472  446.665   8.3359 -4.745117 14.18072 
1 1 1   17    6   23 f  360.807   6.1818  868.567   28.654  931.561   49.874  837.528   35.009  370.294   9.9390  351.321   7.3534 18.97272 12.36356 
1 1 1   17    6   24 o  209.055   5.0353  303.048   13.753  269.801   21.941  324.568   17.652  199.357   8.1214  218.753   5.9547 -19.39572 10.07056 
1 1 1   17    6   25 o  283.646   4.6018  545.636   17.680  539.267   24.573  552.471   25.458  281.935   6.4316  285.357   6.5833 -3.422150 9.203571 
1 1 1   17    6   26 o  386.872   5.3902  1014.28   28.228  1082.80   40.804  951.391   39.091  399.389   7.5391  374.354   7.7057 25.03436 10.78033 
1 1 1   17    6   27 o  341.395   5.0347  791.040   23.283  822.178   33.115  760.602   32.741  348.046   7.0212  334.743   7.2177 13.30316 10.06933 
1 1 1   17    6   28 o  339.567   6.3737  794.583   27.198  813.948   33.028  753.784   47.940  346.281   7.0382  332.853   10.628 13.42825 12.74736 
1 1 1   17    6   29 o  118.540   5.7725   94.469   7.9661   93.546   9.1418   97.384   16.238  117.425   5.7450  119.655   10.014 -2.230164 11.54495 
1 1 1   17    6   30 o  245.438   4.4347  408.562   14.709  451.629   21.137  368.131   20.480  257.984   6.0461  232.892   6.4893 25.09239 8.869408 
1 1 1   17    6   31 o  174.759   5.4715  206.234   11.571  204.747   13.568  210.199   22.162  173.710   5.7636  175.808   9.3022 -2.097824 10.94304 
1 1 1   17    6   32 o  175.058   5.8595  208.910   13.857  196.538   19.987  220.363   19.230  170.026   8.6745  180.090   7.8796 -10.06375 11.71898 
1 1 1   17    6   33 o  262.458   6.3565  466.380   22.552  500.009   33.350  438.045   30.613  271.127   9.0769  253.790   8.9011 17.33638 12.71294 
1 1 1   17    6   34 o  269.319   5.6589  491.242   19.521  498.434   33.749  487.626   23.931  270.658   9.2015  267.979   6.5899 2.678375 11.31788 
1 1 1   17    6   35 o  247.623   4.4669  416.626   14.967  444.246   21.225  389.308   21.109  255.808   6.1228  239.439   6.5056 16.36919 8.933779 
1 1 1   17    6   36 o  160.915   4.1989  175.584   9.1455  171.909   12.581  179.703   13.318  159.137   5.8339  162.694   6.0406 -3.556870 8.397813 
1 1 1   17    6   37 o   81.859   4.8615   45.892   5.3446   49.210   7.2672   41.984   7.8878   85.125   6.2998   78.594   7.4060 6.531891 9.722960 
1 1 1   17    6   38 o  206.926   4.3214  291.230   12.070  323.652   17.182  259.643   16.960  218.336   5.8073  195.516   6.4012 22.82069 8.642886 
1 1 1   17    6   39 o  326.579   4.9877  723.519   22.049  696.020   30.327  754.354   32.115  320.017   6.9932  333.140   7.1136 -13.12302 9.975379 
1 1 1   17    6   40 o  222.939   4.4086  337.950   13.284  368.972   18.897  307.643   18.677  233.085   5.9826  212.792   6.4771 20.29355 8.817245 
1 1 1   17    6   41 o  179.976   4.2812  220.238   10.428  225.308   14.491  214.793   15.018  182.139   5.8711  177.812   6.2326 4.327209 8.562414 
1 1 1   17    6   42 o  344.018   5.1737  799.771   24.018  910.315   35.454  706.016   32.651  365.876   7.1508  322.160   7.4790 43.71600 10.34742 
1 1 1   17    6   43 o  322.769   5.0182  705.066   21.895  657.363   29.732  761.581   32.362  310.906   7.0570  334.631   7.1365 -23.72510 10.03644 
1 1 1   17    6   44 o  172.219   5.4800  190.786   11.579  177.217   13.515  228.216   22.447  161.488   6.1760  182.951   9.0541 -21.46237 10.95992 
1 1 1   17    6   45 o  189.318   5.6623  245.744   13.140  248.021   15.601  240.185   24.374  191.046   6.0259  187.589   9.5884 3.457306 11.32468 
1 1 1   17    6   46 o  257.130   5.5079  429.035   18.157  515.434   32.410  389.514   21.920  274.948   8.6984  239.312   6.7591 35.63676 11.01576 
1 1 1   17    6   47 o  202.253   5.3878  284.836   14.112  255.716   23.036  302.328   17.854  193.626   8.7794  210.879   6.2478 -17.25247 10.77562 
1 1 1   17    6   48 o  151.578   4.4435  156.792   9.0907  170.701   12.747  142.397   12.968  158.473   5.9358  144.684   6.6140 13.78885 8.887056 
1 1 1   17    6   49 o   77.654   5.5490   41.010   5.8280   39.782   7.9538   42.433   8.5640   76.411   7.6814   78.896   8.0101 -2.485367 11.09794 
1 1 1   17    6   50 o  229.715   5.5471  349.085   16.325  392.218   28.842  328.754   19.802  239.646   8.8813  219.784   6.6485 19.86235 11.09411 
1 1 1   17    6   51 o  116.358   4.8281   92.325   7.6021   95.733   10.608   88.727   10.900  118.588   6.6011  114.129   7.0476 4.458817 9.656264 
1 1 1   17    6   52 o  138.292   4.6352  130.166   8.6786  128.871   11.994  131.590   12.573  137.582   6.4330  139.001   6.6750 -1.418472 9.270313 
1 1 1   17    6   53 o  175.303   5.2608  205.903   11.889  197.911   14.574  221.800   20.555  170.480   6.3085  180.126   8.4208 -9.645767 10.52169 
1 1 1   17    6   54 o   93.119   5.2478   59.471   6.5911   63.801   9.1329   54.764   9.5216   96.714   6.9684   89.524   7.8486 7.190384 10.49566 
1 1 1   17    6   55 o  111.559   4.8830   84.971   7.3764   85.992   10.271   83.883   10.600  112.269   6.7511  110.849   7.0568 1.419998 9.766082 
1 1 1   17    6   56 o  149.455   4.5845  152.492   9.2778  154.920   12.932  149.916   13.318  150.706   6.3322  148.204   6.6313 2.501801 9.169025 
1 1 1   17    6   57 o   55.917   7.4101   22.183   5.4499   26.925   7.7384   17.516   7.6766   62.560   9.1279   49.273   11.676 13.28762 14.82021 
1 1 1   17    6   58 o   71.163   6.1694   34.710   5.9221   30.314   8.1286   39.683   8.6454   66.339   9.0420   75.987   8.3959 -9.648018 12.33886 
1 1 1   17    6   59 o  130.546   4.7284  116.661   8.3606  117.625   11.666  115.643   11.988  131.124   6.5653  129.968   6.8066 1.155930 9.456855 
1 1 1   17    6   60 o   49.459   9.1582   19.356   6.3770   23.385   7.4995   8.8358   12.117   58.097   9.5256   40.820   15.645 17.27728 18.31634 
1 1 1   17    6   61 o   87.037   7.2528   53.452   7.6205   54.280   8.9895   51.337   14.366   88.825   7.4682   85.249   12.435 3.576607 14.50551 
1 1 1   17    6   62 o   83.674   5.6366   48.157   6.3629   42.173   8.7239   54.958   9.3006   78.088   8.2441   89.260   7.6890 -11.17252 11.27327 
1 1 1   17    6   63 o   84.949   6.7199   50.931   7.3516   48.514   12.324   52.267   9.1598   82.951   10.963   86.947   7.7741 -3.995682 13.43989 
1 1 1   17    6   64 o  142.337   5.5937  132.667   10.289  166.891   18.140  116.435   12.493  154.800   8.6473  129.875   7.0981 24.92465 11.18743 
1 1 1   17    6   65 o  128.641   6.0636  116.749   9.9170  111.731   17.080  119.301   12.181  125.846   10.015  131.435   6.8387 -5.589157 12.12730 
1 1 1   17    6   66 o   80.971   7.2537   46.643   7.5128   46.168   12.880   46.888   9.2494   80.032   11.876   81.911   8.3328 -1.878410 14.50737 
1 1 1   17    6   67 o   78.791   6.0425   43.385   6.3867   35.588   8.7307   52.360   9.3671   71.036   9.0696   86.546   7.9868 -15.51030 12.08498 
1 1 1   17    6   68 o   74.623   6.2108   39.317   6.2792   39.674   8.8159   38.949   8.9458   75.004   8.6736   74.242   8.8918 0.7624207 12.42156 
1 1 1   17    6   69 o  107.232   6.0604   78.692   8.4838   72.198   10.492   90.958   14.419  101.507   7.6275  112.958   9.4199 -11.45185 12.12079 
1 1 1   17    6   70 f   48.042   8.5470   17.590   5.5634   15.700   7.6214   19.747   8.1400   45.263   12.164   50.821   12.010 -5.558105 17.09395 
1 1 1   17    6   71 o  102.941   5.4267   74.895   7.5389   80.631   10.516   68.831   10.813  107.227   7.2372   98.656   8.0881 8.570709 10.85335 
1 1 1   17    6   72 o  133.555   5.1227  124.954   9.2452  112.587   12.733  138.743   13.445  126.463   7.4302  140.647   7.0543 -14.18367 10.24549 
1 1 1   17    6   73 o   43.800   8.9816   14.950   5.6381   16.006   8.2083   14.007   7.7577   45.159   12.817   42.442   12.586 2.716999 17.96322 
1 1 1   17    6   74 o   40.065   9.3096   12.492   6.3898   3.9375   10.552   17.445   8.0293   33.012   13.885   47.119   12.405 -14.10663 18.61918 
1 1 1   17    6   75 o   68.366   10.141   34.354   9.3949   34.354   9.3949   0.0000   0.0000   68.366   10.141  ?   ?       ?      ? 
1 1 1   17    6   76 f   28.663   8.5508   0.4770   6.4070   7.3524   7.8281 -13.4735   11.151   33.407   12.629   23.919   11.531 9.487816 17.10161 
1 1 1   17    6   77 o   32.716   8.7257   5.0148   6.4315 -10.2949   10.865   13.272   7.9797   24.676   11.758   40.755   12.896 -16.07911 17.45136 
1 1 1   17    6   78 o   35.313   9.7509   8.4526   6.6118   7.2953   11.165   9.0778   8.2053   35.386   14.530   35.240   13.008 0.1453476 19.50186 
1 1 1   17    6   79 o   41.071   13.596   14.024   8.8108   0.0000   0.0000   14.024   8.8108  ?   ?    41.071   13.596      ?      ? 
1 1 1   17    6   80 o   39.229   13.351   12.826   8.4914   0.0000   0.0000   12.826   8.4914  ?   ?    39.229   13.351      ?      ? 
1 1 1   17    6   81 o   55.153   10.474   25.966   7.6217   34.022   13.393   22.108   9.2689   59.881   16.140   50.425   13.353 9.456093 20.94745 
1 1 1   17    6   82 o   39.577   15.589   14.137   12.291   14.137   12.291   0.0000   0.0000   39.577   15.589  ?   ?       ?      ? 
1 1 1   17    7    0 o  409.349   7.9254  1136.32   43.964  1136.32   43.964   0.0000   0.0000  409.349   7.9254  ?   ?       ?      ? 
1 1 1   17    7    1 o  540.570   6.7733  1981.96   49.612  1950.12   69.559  2014.94   70.780  536.152   9.5738  544.988   9.5839 -8.836792 13.54651 
1 1 1   17    7    2 o  513.703   6.5259  1787.47   45.396  1869.56   65.677  1712.36   62.817  524.981   9.2318  502.425   9.2262 22.55557 13.05178 
1 1 1   17    7    3 o  468.459   7.6130  1490.51   45.226  1485.92   79.411  1492.71   55.021  467.793   12.527  469.124   8.6549 -1.331268 15.22598 
1 1 1   17    7    4 o  245.512   6.8441  408.885   22.767  406.036   31.851  411.861   32.553  244.640   9.6077  246.384   9.7499 -1.743774 13.68830 
1 1 1   17    7    5 o  306.266   7.2161  635.891   29.934  617.073   41.548  656.204   43.166  301.561   10.167  310.972   10.243 -9.411224 14.43222 
1 1 1   17    7    6 o  353.824   7.6299  849.768   36.580  858.978   51.570  840.442   51.896  355.759   10.697  351.890   10.883 3.869690 15.25972 
1 1 1   17    7    7 o  477.172   8.9788  1546.44   58.056  1570.67   82.343  1522.49   81.867  480.894   12.636  473.451   12.760 7.443878 17.95762 
1 1 1   17    7    8 o  335.722   7.4646  764.870   33.948  793.518   48.339  736.989   47.687  341.931   10.432  329.513   10.679 12.41751 14.92924 
1 1 1   17    7    9 o  297.320   7.0994  599.974   28.602  605.760   40.335  594.122   40.564  298.766   9.9625  295.875   10.117 2.891022 14.19874 
1 1 1   17    7   10 o  323.367   7.2962  709.758   31.967  709.917   44.822  709.593   45.606  323.409   10.227  323.325   10.409 0.8370972E-01 14.59233 
1 1 1   17    7   11 o  419.447   8.2745  1194.92   47.029  1196.54   66.090  1193.27   66.935  419.740   11.619  419.153   11.784 0.5873718 16.54905 
1 1 1   17    7   12 o  424.658   11.869  1224.99   68.304   0.0000   0.0000  1224.99   68.304  ?   ?   424.658   11.869      ?      ? 
1 1 1   17    7   15 o  408.804   11.664  1135.57   64.618   0.0000   0.0000  1135.57   64.618  ?   ?   408.804   11.664      ?      ? 
1 1 1   17    7   16 o  302.065   10.188  619.645   41.705   0.0000   0.0000  619.645   41.705  ?   ?   302.065   10.188      ?      ? 
1 1 1   17    7   17 f  365.043   11.039  905.459   54.607   0.0000   0.0000  905.459   54.607  ?   ?   365.043   11.039      ?      ? 
1 1 1   17    7   18 o  285.637   6.9423  554.639   26.842  582.073   37.840  526.853   38.082  292.772   9.5376  278.501   10.090 14.27020 13.88452 
1 1 1   17    7   19 o  344.186   7.4407  804.599   34.681  795.155   48.055  814.865   50.103  342.094   10.366  346.278   10.677 -4.184509 14.88134 
1 1 1   17    7   20 o  477.843   8.9390  1552.28   57.846  1631.67   83.210  1478.03   80.472  489.671   12.540  466.014   12.743 23.65701 17.87800 
1 1 1   17    7   21 o  306.757   7.0886  637.234   29.403  607.262   39.998  672.474   43.370  298.950   9.8732  314.565   10.174 -15.61493 14.17715 
1 1 1   17    7   22 o  162.265   5.5486  178.723   10.573  178.705   12.213  178.776   21.121  162.326   5.5520  162.205   9.6086 0.1203766 11.09723 
1 1 1   17    7   23 o  196.727   4.1111  262.515   10.951  262.528   15.184  262.501   15.809  196.736   5.6953  196.717   5.9303 0.1890564E-01 8.222172 
1 1 1   17    7   24 o  254.121   4.4236  435.589   15.189  400.756   20.588  477.194   22.501  243.038   6.2512  265.204   6.2608 -22.16623 8.847297 
1 1 1   17    7   25 o  200.235   4.1752  272.357   11.304  293.794   16.012  251.055   15.961  208.110   5.6777  192.360   6.1231 15.74998 8.350349 
1 1 1   17    7   26 o  214.800   5.0322  318.890   13.944  333.079   17.467  293.964   23.152  221.574   5.8174  208.026   8.2129 13.54845 10.06449 
1 1 1   17    7   27 o  355.455   10.487  859.829   50.515  859.829   50.515   0.0000   0.0000  355.455   10.487  ?   ?       ?      ? 
1 1 1   17    7   28 o  162.771   5.8180  181.727   12.705  163.563   18.712  197.266   17.306  155.114   8.9020  170.429   7.4935 -15.31462 11.63602 
1 1 1   17    7   29 o  174.350   4.1263  205.970   9.7367  200.676   13.373  211.943   14.204  171.973   5.7384  176.726   5.9309 -4.753098 8.252565 
1 1 1   17    7   30 o  164.907   5.5135  187.885   10.909  191.630   12.815  178.028   20.788  168.051   5.6271  161.763   9.4832 6.288513 11.02704 
1 1 1   17    7   31 o  147.730   4.0980  148.355   8.1855  152.424   11.300  143.861   11.874  149.875   5.5636  145.586   6.0185 4.289413 8.196081 
1 1 1   17    7   32 o  177.900   4.1549  214.967   10.006  218.973   13.922  210.686   14.392  179.624   5.7194  176.176   6.0283 3.447784 8.309733 
1 1 1   17    7   33 o  140.165   4.2014  134.190   7.9271  148.881   11.064  118.696   11.363  148.115   5.5125  132.216   6.3419 15.89879 8.402795 
1 1 1   17    7   34 o  227.643   4.3602  352.208   13.437  364.071   18.812  339.850   19.200  231.574   5.9946  223.713   6.3334 7.861282 8.720501 
1 1 1   17    7   35 o  284.236   5.7243  518.124   20.485  634.459   38.055  470.657   24.308  305.264   9.1992  263.208   6.8150 42.05579 11.44854 
1 1 1   17    7   36 o  399.993   5.5532  1088.11   30.097  1090.66   42.253  1085.49   42.882  400.481   7.7856  399.505   7.9208 0.9757385 11.10649 
1 1 1   17    7   37 o  140.264   4.2811  133.936   8.1174  140.913   11.301  126.500   11.667  144.061   5.7890  136.468   6.3087 7.592880 8.562270 
1 1 1   17    7   38 o  101.961   4.5187   70.510   6.2333   68.715   8.5315   72.565   9.1291  100.576   6.2596  103.345   6.5187 -2.768669 9.037454 
1 1 1   17    7   39 o  105.470   4.4926   75.852   6.3965   79.955   8.8315   71.325   9.2769  108.496   6.0067  102.444   6.6824 6.051895 8.985248 
1 1 1   17    7   40 o  126.900   4.3809  109.755   7.5093  115.893   10.415  103.108   10.837  130.624   5.8836  123.176   6.4925 7.448082 8.761801 
1 1 1   17    7   41 o  134.962   4.3764  123.240   7.9848  112.563   10.923  135.495   11.702  128.705   6.2625  141.218   6.1150 -12.51259 8.752797 
1 1 1   17    7   42 o  194.363   5.1804  255.094   13.131  264.012   21.934  250.113   16.394  196.887   8.2207  191.837   6.3060 5.050018 10.36081 
1 1 1   17    7   43 o  136.464   5.3742  129.279   9.5137  117.497   15.531  136.354   12.036  131.289   8.7297  141.639   6.2708 -10.34914 10.74848 
1 1 1   17    7   44 o  242.616   4.5748  398.945   15.016  377.980   20.528  423.069   22.021  235.788   6.4246  249.444   6.5145 -13.65535 9.149546 
1 1 1   17    7   45 o  240.391   6.6014  393.007   21.505   0.0000   0.0000  393.007   21.505  ?   ?   240.391   6.6014      ?      ? 
1 1 1   17    7   46 o  236.766   5.8101  373.841   16.945  362.779   19.999  401.992   31.904  230.971   6.3895  242.561   9.7059 -11.58990 11.62027 
1 1 1   17    7   47 o   68.048   6.3969   31.278   5.8107   24.420   7.8216   39.726   8.6806   59.775   9.6559   76.320   8.3932 -16.54522 12.79382 
1 1 1   17    7   48 o  325.281   5.1100  720.668   22.520  723.609   31.542  717.611   32.162  325.978   7.1403  324.585   7.3119 1.393066 10.21999 
1 1 1   17    7   49 o  267.107   9.2297  487.735   33.408   0.0000   0.0000  487.735   33.408  ?   ?   267.107   9.2297      ?      ? 
1 1 1   17    7   50 o  378.948   6.7852  1011.77   33.253  1095.90   42.317  875.964   53.767  400.806   7.7911  357.090   11.111 43.71609 13.57045 
1 1 1   17    7   51 o  261.084   5.8576  467.483   19.669  459.971   33.442  471.455   24.320  259.128   9.5236  263.040   6.8227 -3.912262 11.71529 
1 1 1   17    7   52 o  166.009   5.6876  193.612   12.068  171.355   20.160  206.040   15.064  158.106   9.4094  173.913   6.3920 -15.80661 11.37521 
1 1 1   17    7   53 o  153.170   4.5869  159.789   9.5148  156.062   13.176  163.851   13.755  151.314   6.4257  155.026   6.5473 -3.712341 9.173722 
1 1 1   17    7   54 o  178.900   4.5541  217.268   11.010  196.686   15.044  241.006   16.156  169.802   6.5377  187.999   6.3416 -18.19737 9.108117 
1 1 1   17    7   55 o  130.829   4.6926  116.672   8.3123  110.592   11.505  123.311   12.022  127.264   6.6714  134.394   6.6012 -7.129601 9.385248 
1 1 1   17    7   56 o  190.367   6.5567  247.575   16.915   0.0000   0.0000  247.575   16.915  ?   ?   190.367   6.5567      ?      ? 
1 1 1   17    7   57 o   45.167   8.4595   14.870   5.3369   17.840   7.3247   11.510   7.7921   49.723   11.146   40.611   12.729 9.112160 16.91902 
1 1 1   17    7   58 o   74.560   6.0176   38.152   5.9812   29.535   8.1548   48.184   8.7992   65.378   9.2045   83.742   7.7538 -18.36445 12.03511 
1 1 1   17    7   59 o  176.929   4.5570  214.311   10.923  211.778   15.224  216.998   15.680  175.868   6.3878  177.989   6.5007 -2.121277 9.113953 
1 1 1   17    7   60 o  122.213   5.9639  105.577   9.3806   95.234   15.512  111.541   11.778  116.965   9.7864  127.460   6.8192 -10.49509 11.92786 
1 1 1   17    7   61 o   38.161   9.3002   9.0872   5.6836   12.576   9.4180   7.0887   7.1278   42.428   14.057   33.893   12.181 8.534588 18.60031 
1 1 1   17    7   62 o   37.429   9.6792   7.5948   5.8111   5.9485   6.7813   12.146   11.275   31.986   11.822   42.871   15.329 -10.88490 19.35835 
1 1 1   17    7   63 o   51.435   7.6465   18.958   5.2814   13.343   7.2027   25.488   7.7672   42.575   11.979   60.294   9.5061 -17.71878 15.29292 
1 1 1   17    7   64 f   68.785   6.3625   33.332   5.8957   36.158   8.1755   30.270   8.5100   71.991   8.3802   65.580   9.5757 6.410561 12.72491 
1 1 1   17    7   65 o   93.974   5.4333   61.485   6.9121   61.665   9.5708   61.289   9.9933   94.177   7.4992   93.771   7.8642 0.4059982 10.86666 
1 1 1   17    7   66 o   82.644   7.0161   49.362   7.5175   51.610   9.5063   45.610   12.282   85.829   8.1733   79.458   11.406 6.370636 14.03228 
1 1 1   17    7   67 o   71.075   8.6350   38.594   7.5453   34.190   12.841   40.916   9.3247   66.147   14.707   76.004   9.0535 -9.857056 17.26999 
1 1 1   17    7   68 o  102.090   5.3939   73.178   7.4500   76.238   10.407   69.961   10.670  104.402   7.3558   99.777   7.8911 4.625465 10.78782 
1 1 1   17    7   69 o   39.826   8.8426   11.767   5.4003   8.9349   7.5220   14.779   7.7577   35.774   12.548   43.878   12.463 -8.104046 17.68525 
1 1 1   17    7   70 o   55.513   7.8249   23.344   5.7428   28.656   8.0223   17.760   8.2246   63.186   9.3691   47.841   12.535 15.34547 15.64980 
1 1 1   17    7   71 o   63.912   7.2529   30.060   6.1187   26.798   8.5358   33.506   8.7754   59.659   10.962   68.164   9.5002 -8.504234 14.50579 
1 1 1   17    7   72 o   69.573   7.1528   35.697   6.4447   44.659   9.3379   27.544   8.9057   78.963   8.7265   60.182   11.336 18.78090 14.30560 
1 1 1   17    7   73 o   92.115   5.8018   60.561   7.2386   62.432   10.210   58.671   10.264   93.634   8.0466   90.595   8.3603 3.038422 11.60356 
1 1 1   17    7   74 o   33.444   8.1920   5.8949   5.4161   14.642   7.5132  -3.5682   7.8147   43.134   12.269   23.753   10.858 19.38137 16.38408 
1 1 1   17    7   75 o   68.432   8.4072   32.901   7.3242   51.286   12.593   23.501   9.0039   82.481   11.266   54.384   12.482 28.09718 16.81434 
1 1 1   17    7   76 o   31.308   9.2017   3.6284   6.2853   7.6769   10.265   1.2001   7.9499   35.328   14.139   27.288   11.780 8.039484 18.40337 
1 1 1   17    7   77 o   35.266   10.215   6.3062   8.1580   12.452   11.232  -0.5550   11.868   39.963   15.123   30.570   13.735 9.392656 20.42922 
1 1 1   17    7   78 o   56.868   10.869   28.758   8.9552   19.367   12.444   38.847   12.898   46.375   16.146   67.361   14.554 -20.98592 21.73751 
1 1 1   17    7   79 o   63.810   15.157   36.281   12.912   36.281   12.912   0.0000   0.0000   63.810   15.157  ?   ?       ?      ? 
1 1 1   17    8    0 o  614.339   9.0557  2530.53   70.837  2660.43  124.977  2469.04   85.982  625.548   14.743  603.131   10.520 22.41681 18.11145 
1 1 1   17    8    1 o  575.303   8.6273  2267.93   64.155  2179.94  107.325  2316.84   80.026  566.330   13.984  584.276   10.107 -17.94647 17.25458 
1 1 1   17    8    2 o  415.506   6.8469  1184.87   36.979  1123.20   60.870  1220.95   46.554  406.745   11.043  424.268   8.0973 -17.52301 13.69380 
1 1 1   17    8    3 o  353.802   6.1848  850.189   28.395  845.911   47.528  852.564   35.410  353.044   9.9344  354.561   7.3697 -1.516693 12.36950 
1 1 1   17    8    4 o  468.289   7.3619  1487.52   44.483  1492.27   75.541  1484.99   55.037  468.729   11.893  467.849   8.6809 0.8797302 14.72385 
1 1 1   17    8    5 o  506.348   9.1618  1739.77   62.866   0.0000   0.0000  1739.77   62.866  ?   ?   506.348   9.1618      ?      ? 
1 1 1   17    8    6 o  271.419   10.072  500.072   37.047   0.0000   0.0000  500.072   37.047  ?   ?   271.419   10.072      ?      ? 
1 1 1   17    8    7 o  238.595   6.9179  386.361   22.365  378.011   31.442  394.912   31.819  235.984   9.8320  241.206   9.7345 -5.221985 13.83578 
1 1 1   17    8    8 o  157.277   6.9488  168.520   14.749  184.214   20.711  152.375   21.007  164.749   9.2768  149.806   10.348 14.94287 13.89760 
1 1 1   17    8    9 o  261.584   6.9271  461.866   24.484  422.337   33.242  508.737   36.197  249.419   9.8350  273.749   9.7576 -24.33034 13.85410 
1 1 1   17    8   10 o  156.731   6.8178  166.175   14.451  157.702   19.682  176.086   21.286  152.415   9.5291  161.047   9.7533 -8.631790 13.63566 
1 1 1   17    8   11 o  155.934   6.7935  165.102   14.335  165.386   19.757  164.787   20.830  156.084   9.3405  155.783   9.8672 0.3003998 13.58696 
1 1 1   17    8   12 o  196.744   6.7039  263.340   17.837  278.167   24.973  247.898   25.486  202.425   9.1037  191.064   9.8434 11.36118 13.40778 
1 1 1   17    8   13 o  302.556   7.2271  622.239   29.606  650.137   41.775  594.090   41.963  309.393   9.9638  295.720   10.471 13.67322 14.45424 
1 1 1   17    8   14 o  367.185   7.7808  915.902   38.692  905.552   53.655  927.116   55.849  365.040   10.846  369.329   11.159 -4.288940 15.56166 
1 1 1   17    8   15 o  279.335   7.0281  530.648   26.563  563.406   37.522  497.736   37.610  288.010   9.6139  270.659   10.254 17.35025 14.05611 
1 1 1   17    8   16 o  266.446   6.9618  480.535   25.085  454.888   34.162  510.544   36.953  258.767   9.7422  274.125   9.9476 -15.35800 13.92356 
1 1 1   17    8   17 o  353.824   11.029  851.245   52.882   0.0000   0.0000  851.245   52.882  ?   ?   353.824   11.029      ?      ? 
1 1 1   17    8   18 o  304.473   9.9976  630.036   41.250  630.036   41.250   0.0000   0.0000  304.473   9.9976  ?   ?       ?      ? 
1 1 1   17    8   19 o  149.672   7.1572  156.114   14.153  182.962   19.230  124.391   20.904  164.130   8.6460  135.214   11.408 28.91618 14.31438 
1 1 1   17    8   20 o  122.525   9.4558  102.023   15.700  102.023   15.700   0.0000   0.0000  122.525   9.4558  ?   ?       ?      ? 
1 1 1   17    8   21 o  187.231   8.9387  238.190   22.680  238.190   22.680   0.0000   0.0000  187.231   8.9387  ?   ?       ?      ? 
1 1 1   17    8   22 o  190.629   8.8779  246.936   22.934  246.936   22.934   0.0000   0.0000  190.629   8.8779  ?   ?       ?      ? 
1 1 1   17    8   23 o  255.456   6.7359  441.666   23.252  417.689   31.465  470.510   34.512  247.868   9.3676  263.045   9.6818 -15.17615 13.47175 
1 1 1   17    8   24 o  290.087   6.0191  563.068   21.422  551.589   25.262  592.456   40.419  285.076   6.5392  295.098   10.107 -10.02203 12.03828 
1 1 1   17    8   25 o  195.266   5.5565  258.333   13.041  257.540   15.245  260.497   25.182  194.825   5.7743  195.708   9.4952 -0.8831940 11.11308 
1 1 1   17    8   26 f  123.763   4.1250  105.054   6.8348  121.166   9.5352   88.029   9.8021  133.645   5.2650  113.882   6.3516 19.76290 8.250031 
1 1 1   17    8   27 o  296.136   4.7188  595.603   18.930  605.527   26.569  585.371   26.978  298.652   6.5649  293.620   6.7802 5.031708 9.437654 
1 1 1   17    8   28 o  168.341   4.1321  191.160   9.3921  170.646   12.774  215.301   13.857  158.565   5.9447  178.117   5.7410 -19.55261 8.264282 
1 1 1   17    8   29 o  154.309   4.1169  162.232   8.5727  176.613   12.005  147.266   12.246  161.328   5.4911  147.289   6.1354 14.03943 8.233784 
1 1 1   17    8   30 o  266.309   4.5635  481.187   16.458  471.513   22.789  491.734   23.795  263.520   6.3816  269.098   6.5252 -5.578461 9.127007 
1 1 1   17    8   31 o  267.178   5.9368  484.693   19.503  483.558   23.134  487.480   36.261  266.851   6.3972  267.505   10.003 -0.6545105 11.87362 
1 1 1   17    8   32 o  494.159   6.3707  1662.22   42.658  1670.67   60.043  1653.61   60.616  495.442   8.9430  492.875   9.0755 2.567627 12.74137 
1 1 1   17    8   33 o  257.964   4.5821  449.780   15.977  420.196   21.676  484.970   23.640  248.727   6.4309  267.201   6.5288 -18.47412 9.164136 
1 1 1   17    8   34 o  375.336   5.3649  957.648   27.275  998.307   38.897  918.316   38.257  383.189   7.4908  367.484   7.6823 15.70477 10.72983 
1 1 1   17    8   35 o  325.995   5.0181  721.440   22.137  777.535   31.885  669.239   30.759  338.233   6.9565  313.757   7.2342 24.47681 10.03627 
1 1 1   17    8   36 o  162.640   5.5762  188.377   11.426  155.109   19.199  206.620   14.217  150.862   9.3911  174.418   6.0152 -23.55580 11.15238 
1 1 1   17    8   37 o  122.381   6.2530  101.753   10.370   0.0000   0.0000  101.753   10.370  ?   ?   122.381   6.2530      ?      ? 
1 1 1   17    8   38 o  144.014   5.3165  147.833   9.8270  115.593   15.589  169.091   12.659  130.251   8.8320  157.776   5.9206 -27.52463 10.63292 
1 1 1   17    8   39 o  102.078   4.7003   70.620   6.4769   62.365   8.9170   79.840   9.4234   95.771   6.8707  108.386   6.4159 -12.61452 9.400540 
1 1 1   17    8   40 o  176.568   4.3700  212.599   10.409  234.409   14.664  190.446   14.779  185.757   5.8255  167.380   6.5156 18.37756 8.740079 
1 1 1   17    8   41 o  136.764   4.4718  126.426   8.2628  114.595   11.241  140.335   12.188  129.838   6.3886  143.691   6.2590 -13.85330 8.943630 
1 1 1   17    8   42 o  129.186   4.5273  113.578   7.9152  116.233   10.997  110.723   11.402  130.768   6.2057  127.604   6.5936 3.163307 9.054606 
1 1 1   17    8   43 o   58.786   6.5843   24.073   5.0916   26.344   7.0705   21.628   7.3383   62.167   8.3928   55.405   10.148 6.761326 13.16868 
1 1 1   17    8   44 o  136.641   4.5114  127.109   8.3430  130.745   11.619  123.240   11.987  138.675   6.1831  134.607   6.5713 4.068268 9.022865 
1 1 1   17    8   45 o  325.837   6.3801  758.139   26.802  877.596   34.895  586.289   41.853  359.032   7.1721  292.643   10.554 66.38882 12.76018 
1 1 1   17    8   46 o  165.908   8.5810  187.853   19.292   0.0000   0.0000  187.853   19.292  ?   ?   165.908   8.5810      ?      ? 
1 1 1   17    8   47 o  220.161   9.9405  331.806   29.657   0.0000   0.0000  331.806   29.657  ?   ?   220.161   9.9405      ?      ? 
1 1 1   17    8   48 o   73.652   8.9692   41.129   7.3313   44.156   8.5033   32.361   14.471   80.455   7.7993   66.850   16.154 13.60498 17.93849 
1 1 1   17    8   49 o  134.509   4.6907  123.612   8.4978  140.230   12.080  107.330   11.957  143.530   6.2105  125.487   7.0313 18.04252 9.381330 
1 1 1   17    8   50 o  180.646   4.5389  222.639   11.086  239.397   15.665  205.822   15.692  187.505   6.1650  173.788   6.6632 13.71671 9.077743 
1 1 1   17    8   51 o  101.729   5.2319   70.696   7.0596   52.740   9.6717   91.172   10.328   87.814   8.1275  115.643   6.5905 -27.82847 10.46377 
1 1 1   17    8   52 o   75.040   7.8014   42.108   6.9880   32.276   11.909   47.271   8.6300   66.932   13.594   83.148   7.6591 -16.21617 15.60284 
1 1 1   17    8   53 o   79.387   6.8183   42.178   6.9845   47.291   12.141   39.649   8.5388   82.721   10.831   76.053   8.2850 6.667603 13.63651 
1 1 1   17    8   54 o  152.577   4.5821  159.146   9.4163  182.363   13.503  137.168   13.138  163.490   6.0949  141.663   6.8435 21.82610 9.164115 
1 1 1   17    8   55 o  112.367   4.8934   86.435   7.4470   87.912   10.415   84.891   10.652  113.372   6.7790  111.363   7.0587 2.008698 9.786717 
1 1 1   17    8   56 o   45.841   8.0362   14.819   5.2371   7.8502   7.1600   22.837   7.6801   35.148   12.247   56.533   10.408 -21.38504 16.07239 
1 1 1   17    8   57 o   75.373   8.5128   47.899   7.3696   21.033   11.826   64.956   9.4230   53.451   15.453   97.294   7.1469 -43.84289 17.02564 
1 1 1   17    8   58 o   50.620   7.8771   18.484   5.4503   25.404   7.7739   11.794   7.6435   60.488   9.4838   40.751   12.580 19.73722 15.75412 
1 1 1   17    8   59 o   98.363   5.1598   66.671   6.8717   68.682   9.6225   64.579   9.8163   99.918   7.1066   96.808   7.4826 3.110001 10.31958 
1 1 1   17    8   60 o   40.528   8.5791   11.867   5.0829   12.348   7.1315   11.371   7.2466   41.229   12.023   39.828   12.241 1.400452 17.15817 
1 1 1   17    8   61 f  115.979   4.9752   93.036   7.7904  101.825   10.996   84.178   11.039  121.597   6.6730  110.361   7.3813 11.23654 9.950498 
1 1 1   17    8   62 o   52.329   8.1220   20.133   5.6007   18.096   7.6887   22.436   8.1749   49.414   11.669   55.244   11.301 -5.829941 16.24391 
1 1 1   17    8   63 o   34.790   12.179   8.0367   7.0848   8.0367   7.0848   0.0000   0.0000   34.790   12.179  ?   ?       ?      ? 
1 1 1   17    8   64 o   51.252   8.3197   19.474   5.6693   16.163   7.7021   23.391   8.3754   46.364   12.122   56.140   11.398 -9.775444 16.63933 
1 1 1   17    8   65 o   44.125   8.7626   14.618   5.4938   12.210   7.6164   17.230   7.9320   40.558   12.564   47.692   12.218 -7.133545 17.52512 
1 1 1   17    8   66 f   27.922   7.9747   2.1096   4.9817   6.4860   6.7504  -3.1246   7.3824   32.159   11.810   23.685   10.719 8.473217 15.94950 
1 1 1   17    8   67 o   86.741   5.8481   52.305   6.7907   42.261   9.0612   65.174   10.256   77.217   8.6595   96.265   7.8622 -19.04758 11.69615 
1 1 1   17    8   68 o   43.037   9.4574   9.8674   6.5269   26.551   11.435   1.8053   7.9490   57.659   14.615   28.415   12.007 29.24400 18.91479 
1 1 1   17    8   69 o   42.275   8.5749   13.772   5.5126   19.241   7.5495   7.5259   8.0684   50.244   11.355   34.305   12.852 15.93912 17.14990 
1 1 1   17    8   70 o   49.571   8.3585   18.870   5.5861   14.866   7.6975   23.326   8.1194   43.732   12.412   55.410   11.198 -11.67831 16.71708 
1 1 1   17    8   71 o   49.651   7.9570   18.519   5.7711   7.6234   7.9294   30.790   8.4153   34.110   12.748   65.193   9.5254 -31.08331 15.91408 
1 1 1   17    8   72 o   29.812   8.7667   3.1398   5.9152  -0.7780   9.5875   5.5478   7.5163   28.340   12.563   31.284   12.231 -2.943729 17.53335 
1 1 1   17    8   73 f   32.179   9.1393   4.6116   6.0368   9.2037   9.6519   1.6610   7.7368   36.761   13.993   27.597   11.761 9.164268 18.27857 
1 1 1   17    8   74 o   42.353   9.3921   14.846   6.5306   6.3842   10.672   19.911   8.2570   34.688   14.220   50.018   12.274 -15.33001 18.78422 
1 1 1   17    8   75 o   48.202   9.8528   19.905   6.8734   15.869   11.243   22.314   8.6853   43.681   15.340   52.723   12.370 -9.041622 19.70560 
1 1 1   17    8   76 o   28.111   12.732  -1.8818   10.437   0.0000   0.0000  -1.8818   10.437  ?   ?    28.111   12.732      ?      ? 
1 1 1   17    9    0 o  456.202   7.5261  1400.28   43.364  1449.61   77.431  1377.74   52.343  461.816   12.373  450.589   8.5723 11.22726 15.05213 
1 1 1   17    9    1 o  481.080   6.2657  1570.49   40.844  1601.71   58.129  1540.04   57.402  485.804   8.8297  476.355   8.8923 9.449066 12.53140 
1 1 1   17    9    2 o  369.100   5.3308  924.216   26.661  942.017   37.784  906.565   37.624  372.643   7.4823  365.557   7.5950 7.085876 10.66156 
1 1 1   17    9    3 o  275.857   4.6787  516.176   17.487  525.899   24.696  506.399   24.765  278.465   6.5445  273.248   6.6881 5.217102 9.357435 
1 1 1   17    9    4 o  285.935   4.7316  554.193   18.318  588.026   26.236  522.016   25.586  294.450   6.5752  277.421   6.8059 17.02829 9.463251 
1 1 1   17    9    5 o  213.301   4.3362  308.660   12.528  313.648   17.555  303.481   17.885  215.062   6.0236  211.541   6.2390 3.520889 8.672341 
1 1 1   17    9    6 o  134.562   4.2073  123.144   7.6462  133.534   10.747  112.495   10.880  140.331   5.6516  128.792   6.2341 11.53906 8.414540 
1 1 1   17    9    7 o  168.326   5.4372  188.998   9.4215  187.281   10.349  197.305   22.764  166.210   4.5949  170.442   9.8559 -4.231400 10.87441 
1 1 1   17    9    8 o  246.474   5.9017  414.685   17.717  417.730   20.933  406.993   33.266  248.175   6.2242  244.773   10.029 3.402405 11.80334 
1 1 1   17    9    9 o  303.612   6.2245  627.890   23.365  630.856   27.870  620.875   42.862  304.950   6.7442  302.274   10.464 2.676178 12.44900 
1 1 1   17    9   10 o  294.839   9.9522  590.603   39.764  590.603   39.764   0.0000   0.0000  294.839   9.9522  ?   ?       ?      ? 
1 1 1   17    9   11 o  366.716   10.881  914.250   54.073  914.250   54.073   0.0000   0.0000  366.716   10.881  ?   ?       ?      ? 
1 1 1   17    9   12 o  448.579   12.166  1369.36   73.956  1369.36   73.956   0.0000   0.0000  448.579   12.166  ?   ?       ?      ? 
1 1 1   17    9   13 o  380.797   11.078  986.202   57.166  986.202   57.166   0.0000   0.0000  380.797   11.078  ?   ?       ?      ? 
1 1 1   17    9   14 o  337.248   10.416  773.297   47.604  773.297   47.604   0.0000   0.0000  337.248   10.416  ?   ?       ?      ? 
1 1 1   17    9   15 f  384.431   7.9758  1005.70   41.528  1047.72   58.939  964.271   58.523  392.434   11.083  376.428   11.473 16.00632 15.95150 
1 1 1   17    9   16 o  348.410   7.6255  824.790   35.966  805.201   49.537  846.627   52.303  344.061   10.625  352.759   10.941 -8.698334 15.25096 
1 1 1   17    9   17 o  412.883   8.3040  1160.44   46.436  1151.70   64.493  1169.86   66.914  411.298   11.571  414.468   11.914 -3.170563 16.60796 
1 1 1   17    9   18 o  482.739   9.1408  1587.40   59.756  1672.93   85.792  1506.81   83.278  495.391   12.780  470.086   13.073 25.30505 18.28161 
1 1 1   17    9   19 o  391.534   8.1067  1044.54   42.984  1084.47   60.653  1004.25   60.927  399.098   11.215  383.970   11.709 15.12781 16.21338 
1 1 1   17    9   20 f  460.790   8.8545  1447.98   55.277  1462.89   77.574  1432.59   78.786  463.238   12.357  458.341   12.685 4.897064 17.70893 
1 1 1   17    9   21 o  383.018   11.506  999.491   59.722   0.0000   0.0000  999.491   59.722  ?   ?   383.018   11.506      ?      ? 
1 1 1   17    9   23 o  155.373   6.1924  166.868   10.648  168.938   12.032  159.389   22.868  157.790   5.6268  152.956   11.033 4.833405 12.38486 
1 1 1   17    9   24 o  102.856   6.1966   72.389   5.8611   72.553   6.2984   71.326   16.009  103.430   4.4937  102.282   11.550 1.148598 12.39323 
1 1 1   17    9   25 o  137.450   5.4924  123.523   7.5482  121.281   8.2137  135.705   19.143  133.722   4.5327  141.178   10.006 -7.456543 10.98485 
1 1 1   17    9   26 o  190.644   5.2964  233.070   10.669  225.337   11.744  269.613   25.529  182.260   4.7550  199.028   9.4655 -16.76816 10.59272 
1 1 1   17    9   27 o  274.007   5.7507  517.826   17.453  523.389   19.718  497.704   37.501  277.730   5.2392  270.283   10.239 7.447601 11.50132 
1 1 1   17    9   28 o  307.060   5.9367  643.054   20.397  644.419   23.083  638.188   43.571  308.139   5.5280  305.981   10.508 2.157501 11.87332 
1 1 1   17    9   29 o  211.391   4.3295  302.727   12.388  287.410   17.046  319.871   18.035  205.738   6.1140  217.045   6.1316 -11.30638 8.658984 
1 1 1   17    9   30 o  288.621   4.7383  563.388   18.491  524.709   25.177  608.686   27.246  277.915   6.6850  299.326   6.7169 -21.41061 9.476631 
1 1 1   17    9   31 f  195.876   5.8595  270.811   13.787  283.398   16.332  239.586   25.723  204.296   5.8991  187.456   10.126 16.84091 11.71895 
1 1 1   17    9   32 o  172.806   6.2359  203.630   14.260  204.733   18.320  201.934   22.713  173.493   7.7923  172.118   9.7379 1.375168 12.47185 
1 1 1   17    9   33 o  223.507   5.1649  335.928   15.078  353.525   25.189  326.102   18.823  227.922   8.1555  219.092   6.3399 8.829544 10.32985 
1 1 1   17    9   34 o  154.162   4.3129  161.715   8.9922  172.239   12.656  150.987   12.778  159.250   5.8646  149.074   6.3254 10.17668 8.625832 
1 1 1   17    9   35 o  124.659   4.3762  105.076   7.3676   93.777   10.073  118.076   10.804  117.479   6.3271  131.839   6.0474 -14.36031 8.752360 
1 1 1   17    9   36 o  119.079   4.4315   96.288   7.1478   94.192   9.9288   98.542   10.298  117.738   6.2230  120.421   6.3108 -2.682793 8.862940 
1 1 1   17    9   37 o   67.224   8.2912   38.222   6.3665   17.535   11.140   48.256   7.7584   50.204   15.126   84.244   6.7959 -34.04025 16.58234 
1 1 1   17    9   38 o  115.563   4.5118   90.503   7.0500   82.498   9.7040   99.450   10.259  110.161   6.5004  120.965   6.2587 -10.80424 9.023669 
1 1 1   17    9   39 o  114.383   4.6768   88.792   7.2417   83.780   10.005   94.305   10.495  110.998   6.6517  117.769   6.5761 -6.770515 9.353610 
1 1 1   17    9   40 o  272.056   5.7081  516.438   20.076  549.825   25.374  460.554   32.828  284.346   6.5851  259.767   9.3257 24.57880 11.41628 
1 1 1   17    9   41 o  232.839   5.3315  366.227   16.069  359.458   19.879  378.990   27.295  229.922   6.3800  235.756   8.5436 -5.834122 10.66294 
1 1 1   17    9   42 o  198.599   4.4821  268.109   12.052  265.767   16.667  270.676   17.449  197.704   6.2210  199.495   6.4542 -1.790604 8.964269 
1 1 1   17    9   43 o  139.773   4.5075  132.656   8.5288  124.742   11.811  141.279   12.329  135.419   6.4361  144.127   6.3123 -8.707794 9.014929 
1 1 1   17    9   44 o  162.827   6.4392  180.386   14.208   0.0000   0.0000  180.386   14.208  ?   ?   162.827   6.4392      ?      ? 
1 1 1   17    9   45 o  133.425   4.6367  121.480   8.3509  133.804   11.811  109.159   11.809  140.240   6.2148  126.609   6.8828 13.63051 9.273421 
1 1 1   17    9   46 o  125.182   4.7398  106.282   7.9815   89.451   10.932  125.498   11.680  114.578   7.0406  135.786   6.3477 -21.20786 9.479683 
1 1 1   17    9   47 o  125.983   4.7781  108.177   8.1158  122.957   11.655   94.263   11.308  134.376   6.4003  117.590   7.0963 16.78611 9.556212 
1 1 1   17    9   48 o  191.413   5.9645  251.811   13.970  253.490   16.560  247.667   26.014  192.912   6.3345  189.914   10.108 2.998459 11.92894 
1 1 1   17    9   49 o  168.123   5.8437  185.783   12.090  175.989   14.193  211.683   23.081  160.674   6.5184  175.572   9.7008 -14.89772 11.68743 
1 1 1   17    9   50 o  154.322   4.6119  162.454   9.6437  165.092   13.627  159.808   13.650  155.587   6.4632  153.059   6.5808 2.528122 9.223882 
1 1 1   17    9   51 o  122.515   4.8190  102.484   7.9982   98.944   11.223  106.137   11.401  120.356   6.8810  124.673   6.7485 -4.316917 9.637967 
1 1 1   17    9   52 o  143.350   4.6455  140.367   9.0234  140.926   12.687  139.793   12.836  143.649   6.5175  143.052   6.6215 0.5968933 9.290946 
1 1 1   17    9   53 o  118.010   6.9562   95.297   11.124   0.0000   0.0000   95.297   11.124  ?   ?   118.010   6.9562      ?      ? 
1 1 1   17    9   54 o   88.859   7.7943   54.231   9.3856   0.0000   0.0000   54.231   9.3856  ?   ?    88.859   7.7943      ?      ? 
1 1 1   17    9   55 o  104.695   5.1734   74.520   7.1445   53.353   9.5976  100.828   10.700   88.035   8.0450  121.354   6.5064 -33.31883 10.34672 
1 1 1   17    9   56 o   31.899   12.177   5.2053   7.3230   0.0000   0.0000   5.2053   7.3230  ?   ?    31.899   12.177      ?      ? 
1 1 1   17    9   57 o   54.543   7.5217   21.467   5.4463   10.730   7.4352   33.898   8.0003   39.095   12.456   69.991   8.4349 -30.89596 15.04337 
1 1 1   17    9   58 o   58.546   7.1949   24.305   5.5404   20.221   7.6157   28.897   8.0751   52.685   11.021   64.406   9.2520 -11.72092 14.38970 
1 1 1   17    9   59 o   64.353   7.7521   27.176   6.3542   20.590   7.7760   40.412   11.024   53.039   11.172   75.667   10.751 -22.62825 15.50418 
1 1 1   17    9   60 o   70.239   8.1441   38.226   6.8959   43.820   8.6103   28.217   11.516   79.420   8.0002   61.058   14.188 18.36215 16.28825 
1 1 1   17    9   61 o   71.348   6.3507   35.789   6.0589   28.807   8.4226   43.276   8.7225   63.908   9.7255   78.788   8.1696 -14.88029 12.70148 
1 1 1   17    9   62 o   56.002   7.6577   23.576   5.6088   31.358   7.8166   15.316   8.0528   66.862   8.6270   45.141   12.655 21.72029 15.31541 
1 1 1   17    9   63 o   36.567   8.6242   8.9299   5.1080   5.7066   6.8276   13.027   7.6979   31.371   11.809   41.764   12.572 -10.39274 17.24834 
1 1 1   17    9   64 o   72.152   9.3253   44.596   7.4160   50.155   8.6327   28.942   14.488   84.706   7.5205   59.597   17.067 25.10896 18.65067 
1 1 1   17    9   65 o   70.850   8.5501   33.606   7.0001   29.833   7.9866   46.113   14.541   64.764   9.1001   76.937   14.478 -12.17312 17.10019 
1 1 1   17    9   66 o   70.182   9.6081   35.343   9.1379   0.0000   0.0000   35.343   9.1379  ?   ?    70.182   9.6081      ?      ? 
1 1 1   17    9   67 o   73.294   6.4797   37.814   6.3656   31.123   8.4589   46.552   9.6660   65.802   9.4862   80.786   8.8293 -14.98476 12.95933 
1 1 1   17    9   68 o   63.387   8.4251   30.960   6.8914   27.399   10.758   33.438   8.9745   58.783   13.750   67.991   9.7404 -9.208481 16.85016 
1 1 1   17    9   69 f   70.593   9.4523   36.020   9.0424   0.0000   0.0000   36.020   9.0424  ?   ?    70.593   9.4523      ?      ? 
1 1 1   17    9   70 o   80.264   8.2329   52.034   7.9509   35.624   12.550   63.036   10.276   66.438   14.359   94.089   8.0594 -27.65137 16.46583 
1 1 1   17    9   71 o   42.331   8.5585   13.711   6.5045  -1.9756   10.196   24.478   8.4468   28.305   12.723   56.358   11.451 -28.05235 17.11694 
1 1 1   17    9   72 o   38.583   10.434   10.520   7.6573   12.310   10.085   8.0817   11.767   40.128   14.481   37.037   15.027 3.091156 20.86887 
1 1 1   17    9   73 o   39.825   15.240   11.761   11.488   0.0000   0.0000   11.761   11.488  ?   ?    39.825   15.240      ?      ? 
1 1 1   17   10    0 o  329.983   6.0296  734.843   25.714  724.797   31.781  753.884   43.753  326.832   7.1757  333.133   9.6919 -6.300079 12.05917 
1 1 1   17   10    1 o  242.792   4.6051  399.546   15.144  389.624   21.009  410.276   21.848  239.659   6.4690  245.924   6.5559 -6.265594 9.210238 
1 1 1   17   10    2 o  397.278   6.9707  1065.03   35.053  1092.87   62.198  1052.07   42.434  400.866   11.450  393.690   7.9539 7.176239 13.94132 
1 1 1   17   10    3 o  432.535   7.3349  1273.43   40.322  1266.31   70.440  1276.89   49.176  431.400   12.049  433.670   8.3678 -2.269775 14.66981 
1 1 1   17   10    4 o  348.226   5.2040  822.983   24.554  825.187   34.462  820.712   34.993  348.704   7.2929  347.747   7.4256 0.9568481 10.40793 
1 1 1   17   10    5 o  210.361   4.4173  300.318   12.584  304.175   17.547  296.232   18.057  211.757   6.1147  208.964   6.3765 2.793610 8.834557 
1 1 1   17   10    6 o  213.395   4.4009  308.526   12.717  298.526   17.584  319.493   18.414  209.776   6.1857  217.014   6.2616 -7.238724 8.801737 
1 1 1   17   10    7 o  163.798   5.9545  183.340   11.480  184.516   13.300  179.902   22.740  164.928   5.9506  162.668   10.316 2.260101 11.90906 
1 1 1   17   10    8 o  275.786   5.8087  526.280   17.657  533.570   19.928  499.659   38.083  280.494   5.2429  271.078   10.367 9.415680 11.61735 
1 1 1   17   10    9 o  336.615   6.1850  785.184   23.435  797.974   26.679  741.971   49.038  342.986   5.7400  330.245   10.958 12.74072 12.36995 
1 1 1   17   10   10 o  232.859   5.8646  365.598   16.491  362.416   19.304  374.195   31.725  231.121   6.1635  234.596   9.9792 -3.474579 11.72915 
1 1 1   17   10   11 o  250.490   5.8914  421.577   17.937  415.872   21.056  436.665   34.244  247.569   6.2763  253.410   9.9720 -5.840866 11.78270 
1 1 1   17   10   12 o  218.848   5.5188  319.619   12.769  316.321   14.129  334.313   29.824  215.974   4.8275  221.723   9.9259 -5.749176 11.03756 
1 1 1   17   10   13 o  268.227   7.0405  489.478   25.547  492.046   35.163  486.606   37.179  269.003   9.6460  267.450   10.258 1.552979 14.08107 
1 1 1   17   10   14 o  334.568   6.5122  769.611   27.084  783.195   32.549  739.031   48.836  339.651   7.0716  329.486   10.938 10.16492 13.02448 
1 1 1   17   10   15 o  298.437   6.2345  612.109   22.944  621.967   27.400  588.979   41.972  302.702   6.6797  294.172   10.529 8.530243 12.46894 
1 1 1   17   10   16 o  218.234   5.7382  319.376   15.042  314.612   17.526  332.697   29.306  215.320   6.0065  221.148   9.7790 -5.827820 11.47637 
1 1 1   17   10   17 o  121.212   6.2695  102.415   8.4002  104.347   9.5042   95.518   17.958  124.012   5.6554  118.412   11.191 5.600182 12.53898 
1 1 1   17   10   18 o  234.756   5.8451  373.589   16.548  372.449   19.382  376.654   31.781  234.259   6.1056  235.253   9.9690 -0.9941711 11.69014 
1 1 1   17   10   19 o  193.730   5.8281  259.301   13.392  263.980   15.625  246.348   25.996  197.228   5.8463  190.232   10.084 6.995499 11.65629 
1 1 1   17   10   20 o  344.107   6.4989  783.717   27.447  755.714   32.266  857.020   52.204  333.562   7.1381  354.653   10.862 -21.09085 12.99775 
1 1 1   17   10   21 o  298.959   6.2524  612.827   22.996  619.815   27.385  596.113   42.352  302.118   6.6888  295.800   10.565 6.318207 12.50475 
1 1 1   17   10   22 o  255.853   5.7876  462.346   16.058  474.723   18.087  416.278   34.895  264.522   5.0457  247.183   10.418 17.33904 11.57514 
1 1 1   17   10   23 o  337.191   6.2215  782.893   23.411  790.234   26.516  756.943   49.857  341.213   5.7346  333.169   11.043 8.043549 12.44295 
1 1 1   17   10   24 o  366.032   6.3918  903.746   26.116  897.620   29.463  926.207   56.416  363.620   5.9792  368.445   11.299 -4.824921 12.78366 
1 1 1   17   10   25 o  259.356   5.9083  450.593   18.184  443.318   21.041  472.060   36.145  255.523   6.0765  263.189   10.134 -7.666199 11.81655 
1 1 1   17   10   26 o  317.289   6.6777  683.901   28.712  683.901   28.712   0.0000   0.0000  317.289   6.6777  ?   ?       ?      ? 
1 1 1   17   10   27 o  270.276   6.2242  496.117   22.797  496.117   22.797   0.0000   0.0000  270.276   6.2242  ?   ?       ?      ? 
1 1 1   17   10   28 o   37.734   8.7275   10.116   4.5291   11.706   4.8518  -0.6544   12.630   40.670   9.0379   34.799   14.933 5.870644 17.45494 
1 1 1   17   10   29 o  228.460   5.6909  366.086   14.116  373.869   15.883  336.823   30.798  234.711   4.9937  222.209   10.228 12.50208 11.38173 
1 1 1   17   10   30 o  252.442   5.6693  434.911   15.694  435.809   17.630  431.482   34.454  253.390   5.1342  251.493   10.110 1.896606 11.33859 
1 1 1   17   10   31 f   79.339   7.9262   44.842   6.7016   45.747   7.5840   41.618   14.315   82.036   6.8219   76.641   14.309 5.395355 15.85240 
1 1 1   17   10   32 o   68.847   8.8561   33.773   6.3869   34.215   7.1285   31.973   14.381   70.922   7.4171   66.772   16.084 4.150085 17.71217 
1 1 1   17   10   33 o  181.032   6.2263  222.691   15.275   0.0000   0.0000  222.691   15.275  ?   ?   181.032   6.2263      ?      ? 
1 1 1   17   10   34 o  200.900   4.3999  273.100   11.953  254.624   16.288  294.661   17.595  193.569   6.2093  208.230   6.2355 -14.66039 8.799781 
1 1 1   17   10   35 o  177.041   5.0132  211.803   11.588  208.056   14.496  218.438   19.289  174.975   6.1133  179.107   7.9471 -4.131393 10.02641 
1 1 1   17   10   36 o  169.634   5.0327  192.085   11.178  182.236   13.941  209.814   18.705  163.737   6.2830  175.531   7.8636 -11.79387 10.06535 
1 1 1   17   10   37 o  189.610   6.1157  244.495   15.645  251.607   23.385  238.733   21.048  192.053   8.9855  187.167   8.2986 4.885544 12.23136 
1 1 1   17   10   38 o  228.747   5.6945  362.406   16.696  337.804   28.176  375.719   20.727  222.444   9.3471  235.050   6.5071 -12.60637 11.38906 
1 1 1   17   10   39 o  226.610   4.5684  349.231   13.991  384.522   20.038  315.666   19.542  237.811   6.2180  215.410   6.6946 22.40097 9.136806 
1 1 1   17   10   40 o  225.925   4.5663  347.461   13.969  360.556   19.650  334.084   19.861  230.252   6.2978  221.597   6.6137 8.655640 9.132524 
1 1 1   17   10   41 o  182.624   4.4454  226.861   10.999  227.102   15.408  226.611   15.707  182.730   6.2225  182.518   6.3505 0.2121277 8.890870 
1 1 1   17   10   42 o  124.580   4.6072  105.609   7.7708   99.594   10.899  111.828   11.083  120.961   6.6489  128.199   6.3794 -7.237991 9.214311 
1 1 1   17   10   43 o   54.837   7.1769   21.196   5.1750   17.597   7.4090   24.624   7.2312   49.651   11.269   60.024   8.8901 -10.37275 14.35390 
1 1 1   17   10   44 o   93.529   5.3453   60.021   6.6183   44.416   9.1500   77.143   9.5845   80.632   8.3739  106.426   6.6457 -25.79339 10.69050 
1 1 1   17   10   45 o  120.816   4.7537   99.566   7.7617  108.835   11.043   90.517   10.911  126.407   6.4469  115.227   6.9878 11.18002 9.507475 
1 1 1   17   10   46 o  182.012   4.4943  225.549   11.081  220.275   15.400  231.211   15.956  179.813   6.3200  184.211   6.3916 -4.397995 8.988655 
1 1 1   17   10   47 o  114.415   4.8637   89.277   7.5341   84.059   10.531   94.748   10.783  110.978   7.0025  117.853   6.7518 -6.874840 9.727409 
1 1 1   17   10   48 o  126.924   6.1546  103.588   9.6099   95.014   11.219  127.208   18.622  117.949   7.0191  135.899   10.112 -17.95023 12.30929 
1 1 1   17   10   49 o  132.051   7.1371  119.459   12.664  114.350   16.709  126.355   19.412  128.874   9.5675  135.228   10.593 -6.353989 14.27414 
1 1 1   17   10   50 f   80.002   7.7403   47.273   7.3421   39.022   12.944   51.186   8.9150   73.569   13.480   86.436   7.6111 -12.86709 15.48055 
1 1 1   17   10   51 o  120.854   4.8711  100.049   7.9321  114.151   11.370   86.679   11.071  129.225   6.4930  112.483   7.2630 16.74237 9.742191 
1 1 1   17   10   52 o  121.043   4.8457  100.352   7.9463   97.516   11.212  103.214   11.264  119.310   6.9347  122.777   6.7699 -3.467300 9.691303 
1 1 1   17   10   53 o   98.625   5.2373   66.814   6.9948   63.557   9.8287   70.157   9.9569   96.165   7.5422  101.086   7.2686 -4.920937 10.47458 
1 1 1   17   10   54 o  130.325   5.6398  111.659   9.5129  135.552   16.640  100.060   11.594  139.962   8.7734  120.687   7.0893 19.27471 11.27965 
1 1 1   17   10   55 o  130.823   5.6337  113.896   9.6340  134.437   16.385  103.043   11.910  139.278   8.6814  122.368   7.1824 16.91035 11.26733 
1 1 1   17   10   56 o   92.103   6.2650   58.338   7.6110   56.278   9.6385   61.749   12.404   90.211   7.8844   93.996   9.7383 -3.784729 12.52993 
1 1 1   17   10   57 o   49.369   8.3887   18.051   5.5727   15.245   7.9041   20.825   7.8581   45.415   12.465   53.323   11.230 -7.907452 16.77735 
1 1 1   17   10   58 o  112.177   5.0243   86.764   7.6271   80.935   10.519   93.226   11.075  108.192   7.1747  116.162   7.0355 -7.969887 10.04861 
1 1 1   17   10   59 o   52.503   7.5027   20.095   5.4826   7.1904   7.4724   35.144   8.0692   34.063   12.438   70.944   8.3933 -36.88137 15.00540 
1 1 1   17   10   60 o   87.827   5.6638   53.765   6.6902   45.416   9.2390   62.969   9.7006   80.517   8.4675   95.137   7.5243 -14.62008 11.32753 
1 1 1   17   10   61 o   61.184   7.1829   27.182   5.7843   28.885   7.9480   25.264   8.4342   63.922   9.1754   58.445   11.054 5.476665 14.36587 
1 1 1   17   10   62 o   56.944   7.5814   23.582   5.7167   20.386   7.8014   27.289   8.4013   52.133   11.363   61.755   10.039 -9.622227 15.16277 
1 1 1   17   10   63 o   63.060   7.2005   28.747   5.8263   19.883   7.8497   39.621   8.6943   51.274   11.572   74.846   8.5720 -23.57187 14.40093 
1 1 1   17   10   64 o   34.375   8.6473   8.0449   5.0939   9.2332   6.7908   6.5160   7.7028   35.784   11.940   32.965   12.512 2.819115 17.29466 
1 1 1   17   10   65 f   37.783   10.252   8.8175   7.1586   7.7651   9.0072   10.622   11.795   35.396   13.507   40.171   15.426 -4.775242 20.50308 
1 1 1   17   10   66 o   47.767   8.4675   18.597   6.4891   3.9082   10.259   28.393   8.3780   32.919   13.759   62.615   9.8737 -29.69547 16.93494 
1 1 1   17   10   67 o   35.692   9.4356   8.3741   6.0328   9.0508   9.6624   7.9417   7.7231   36.993   14.020   34.391   12.632 2.601955 18.87113 
1 1 1   17   10   68 f   48.865   9.3768   19.340   6.3514   16.778   10.184   20.971   8.1251   45.694   14.580   52.036   11.795 -6.342487 18.75354 
1 1 1   17   10   69 o   48.862   15.964   19.951   12.163   0.0000   0.0000   19.951   12.163  ?   ?    48.862   15.964      ?      ? 
1 1 1   17   10   70 o   39.048   14.956   10.775   11.070   0.0000   0.0000   10.775   11.070  ?   ?    39.048   14.956      ?      ? 
1 1 1   17   11    0 f  369.866   6.9619  945.873   32.265  973.117   39.137  888.067   57.007  378.577   7.6286  361.156   11.648 17.42142 13.92385 
1 1 1   17   11    1 o  309.170   5.0260  647.098   21.028  613.623   28.847  685.053   30.717  300.663   7.0802  317.676   7.1353 -17.01352 10.05195 
1 1 1   17   11    2 o  166.098   4.5190  186.845   10.162  177.652   14.018  197.026   14.751  161.801   6.3933  170.396   6.3884 -8.594818 9.037992 
1 1 1   17   11    3 o  263.382   4.7206  470.542   16.839  463.238   23.353  478.453   24.304  261.260   6.5960  265.505   6.7549 -4.245361 9.441194 
1 1 1   17   11    4 o  376.192   5.4680  960.670   27.861  1005.02   39.816  918.118   39.000  384.706   7.6374  367.677   7.8273 17.02902 10.93604 
1 1 1   17   11    5 o  430.334   5.8924  1255.60   34.322  1206.46   47.163  1310.93   50.041  421.411   8.2588  439.257   8.4067 -17.84619 11.78477 
1 1 1   17   11    6 o  259.006   5.9784  456.976   19.577  452.611   34.511  459.047   23.772  257.959   9.8723  260.053   6.7455 -2.093872 11.95680 
1 1 1   17   11    7 o  251.433   5.8991  422.951   18.771  447.905   33.565  411.595   22.643  256.627   9.6516  246.239   6.7856 10.38860 11.79824 
1 1 1   17   11    8 o  383.747   8.0954  1003.58   42.081  1024.15   59.092  982.416   59.939  387.774   11.245  379.719   11.648 8.055511 16.19073 
1 1 1   17   11    9 o  332.287   6.2050  758.188   23.072  764.217   26.149  736.994   49.028  335.606   5.7496  328.968   10.998 6.638397 12.41004 
1 1 1   17   11   10 o  167.423   6.0148  194.341   11.810  198.335   13.709  182.845   23.261  170.960   5.9173  163.886   10.474 7.074127 12.02956 
1 1 1   17   11   11 o  213.219   5.5581  305.813   12.562  303.979   13.927  313.821   29.101  211.699   4.8546  214.738   10.000 -3.039032 11.11624 
1 1 1   17   11   12 o  175.328   5.6179  207.729   10.112  207.120   11.117  210.645   24.334  174.751   4.6945  175.906   10.208 -1.155167 11.23583 
1 1 1   17   11   13 o  257.074   5.8367  467.079   16.346  480.170   18.446  419.201   35.277  266.047   5.1164  248.102   10.492 17.94449 11.67333 
1 1 1   17   11   14 o  228.765   5.5873  348.127   13.587  343.641   15.052  367.879   31.583  225.074   4.9348  232.456   10.026 -7.382370 11.17464 
1 1 1   17   11   15 o  298.961   5.9967  620.423   19.834  630.099   22.427  585.698   42.486  304.730   5.4310  293.192   10.693 11.53845 11.99346 
1 1 1   17   11   16 o  359.304   6.4597  902.329   26.184  922.708   29.888  835.070   54.299  368.694   5.9820  349.914   11.451 18.78027 12.91944 
1 1 1   17   11   17 o  212.408   5.7254  321.815   12.860  331.629   14.385  282.755   28.698  221.102   4.8010  203.714   10.396 17.38713 11.45077 
1 1 1   17   11   18 o  114.452   5.9398   81.295   6.4954   78.377   6.9711  100.517   17.890  107.487   4.7859  121.418   10.873 -13.93182 11.87959 
1 1 1   17   11   19 o   90.135   6.3234   42.820   5.7852   37.657   6.2146   76.347   15.837   74.473   6.1580  105.798   11.046 -31.32507 12.64677 
1 1 1   17   11   20 o  282.015   6.1765  558.434   20.974  580.692   24.831  503.013   39.183  292.427   6.2661  271.602   10.646 20.82480 12.35307 
1 1 1   17   11   21 o  184.880   5.7933  233.524   12.049  234.351   13.670  230.643   25.515  185.818   5.4286  183.942   10.236 1.875809 11.58656 
1 1 1   17   11   22 o  176.961   5.4511  205.060   9.9960  200.902   10.973  225.342   24.234  172.079   4.7055  181.842   9.8345 -9.762939 10.90226 
1 1 1   17   11   23 o  156.410   5.7274  169.065   9.0729  170.433   9.9685  162.460   21.901  158.494   4.6412  154.326   10.473 4.168732 11.45489 
1 1 1   17   11   24 o  239.065   5.5883  384.080   14.414  381.055   16.063  396.589   32.665  236.959   5.0023  241.171   9.9947 -4.211838 11.17668 
1 1 1   17   11   25 o  214.433   5.6284  316.792   12.869  319.304   14.345  306.431   29.136  216.915   4.8800  211.952   10.144 4.962646 11.25685 
1 1 1   17   11   26 o  161.624   5.6557  176.995   9.3920  176.588   10.330  178.934   22.552  161.316   4.7256  161.932   10.277 -0.6157990 11.31131 
1 1 1   17   11   27 o  173.191   5.6155  200.990   10.102  199.271   11.128  209.048   24.091  171.357   4.7920  175.025   10.157 -3.668945 11.23093 
1 1 1   17   11   28 o  129.122   5.8907  108.183   7.6505  105.685   8.3286  121.673   19.356  124.783   4.9253  133.461   10.702 -8.677887 11.78137 
1 1 1   17   11   29 o   95.761   7.1924   61.198   7.6260   60.191   8.5590   65.078   16.797   94.096   6.7122   97.426   12.723 -3.329521 14.38482 
1 1 1   17   11   30 o  112.119   8.0293   85.591   12.200   85.591   12.200   0.0000   0.0000  112.119   8.0293  ?   ?       ?      ? 
1 1 1   17   11   31 o  186.985   6.0965  237.587   15.448  237.587   15.448   0.0000   0.0000  186.985   6.0965  ?   ?       ?      ? 
1 1 1   17   11   32 o  107.512   7.0316   82.657   7.2554   84.322   7.9011   73.702   18.324  111.434   5.2322  103.590   13.054 7.844101 14.06324 
1 1 1   17   11   33 o  137.840   6.0018  131.448   8.6650  132.603   9.6099  126.422   20.038  139.746   5.0745  135.933   10.878 3.813004 12.00352 
1 1 1   17   11   34 o  112.819   6.2863   84.713   7.3540   83.575   8.0884   90.140   17.664  110.924   5.3808  114.713   11.363 -3.788605 12.57250 
1 1 1   17   11   35 o   89.544   6.7888   50.301   6.3144   48.029   6.9013   61.982   15.648   84.058   6.0585   95.030   12.151 -10.97253 13.57756 
1 1 1   17   11   36 o  145.576   6.2202  139.465   10.872  133.880   12.597  155.771   21.525  140.286   6.6265  150.866   10.529 -10.57919 12.44045 
1 1 1   17   11   37 o  139.021   5.6413  131.603   9.8481  132.111   17.634  131.373   11.872  139.059   9.3576  138.983   6.3035 0.7630920E-01 11.28269 
1 1 1   17   11   38 o  128.277   4.5310  111.946   7.8764  111.389   11.102  112.510   11.176  127.957   6.4027  128.598   6.4130 -0.6417084 9.062098 
1 1 1   17   11   39 o   31.191   7.5644   5.0374   4.3308  -0.8666   6.3149   10.280   5.9506   24.130   10.457   38.253   10.933 -14.12251 15.12877 
1 1 1   17   11   40 o   81.628   5.3585   45.614   5.8954   40.343   8.3623   50.823   8.3126   76.889   8.0256   86.367   7.1024 -9.478012 10.71698 
1 1 1   17   11   41 o  111.560   4.8594   84.918   7.3031   96.980   10.455   73.423   10.206  119.344   6.4645  103.777   7.2571 15.56720 9.718825 
1 1 1   17   11   42 o  181.731   4.5042  225.051   11.083  235.412   15.662  214.659   15.686  185.945   6.2155  177.517   6.5206 8.428223 9.008325 
1 1 1   17   11   43 o  145.953   4.6160  145.160   9.1292  144.280   12.820  146.065   13.003  145.508   6.5017  146.398   6.5543 -0.8905945 9.232088 
1 1 1   17   11   44 o  153.809   4.5893  161.258   9.5635  156.569   13.439  166.067   13.612  151.537   6.5444  156.081   6.4357 -4.544693 9.178599 
1 1 1   17   11   45 o  103.773   6.3758   76.299   8.2854   67.309   14.371   80.774   10.140   98.769   10.737  108.776   6.8792 -10.00706 12.75164 
1 1 1   17   11   46 o  111.811   5.9100   84.578   8.4435   89.174   14.790   82.356   10.284  113.823   9.5883  109.798   6.9119 4.025841 11.81991 
1 1 1   17   11   47 o   64.245   6.4946   28.323   5.6374   31.570   8.1974   25.410   7.7650   67.756   8.9279   60.735   9.4345 7.021072 12.98912 
1 1 1   17   11   48 o  155.518   4.5996  165.273   9.6930  163.797   13.627  166.785   13.791  154.817   6.4952  156.219   6.5143 -1.402039 9.199127 
1 1 1   17   11   49 o   88.566   7.7677   54.937   8.2502   55.388   9.6742   53.734   15.798   89.786   7.9511   87.345   13.347 2.440819 15.53543 
1 1 1   17   11   50 o  108.609   6.7887   72.766   8.8950   63.487   10.194  102.373   18.209   96.089   7.8287  121.130   11.093 -25.04081 13.57738 
1 1 1   17   11   51 o  123.929   4.9237  105.704   8.2237  118.809   11.668   92.766   11.593  131.678   6.5386  116.181   7.3633 15.49741 9.847454 
1 1 1   17   11   52 o   70.581   7.4729   33.316   6.6349   21.238   8.4454   52.791   10.724   53.924   11.878   87.239   9.0712 -33.31535 14.94581 
1 1 1   17   11   53 o   78.213   5.9526   42.284   6.3020   40.464   8.6652   44.329   9.1819   76.440   8.3651   79.985   8.4711 -3.545166 11.90525 
1 1 1   17   11   54 o   53.623   8.9496   22.015   6.2959   17.869   10.356   24.445   7.9295   49.053   14.540   58.193   10.439 -9.139839 17.89922 
1 1 1   17   11   55 o  137.409   5.6871  127.129   10.204  145.573   17.320  117.326   12.627  144.471   8.8469  130.346   7.1487 14.12506 11.37420 
1 1 1   17   11   56 o   65.134   7.1308   30.548   5.9360   21.234   8.1730   40.946   8.6355   53.605   11.589   76.663   8.3123 -23.05790 14.26157 
1 1 1   17   11   57 f   71.881   6.1914   36.212   6.0284   35.050   8.5262   37.373   8.5248   70.689   8.9007   73.074   8.6087 -2.385338 12.38271 
1 1 1   17   11   58 o   72.873   6.2362   37.389   6.1479   35.419   8.7682   39.294   8.6226   70.888   9.1275   74.857   8.5000 -3.969543 12.47248 
1 1 1   17   11   59 o   72.170   6.3070   36.765   6.1675   36.152   8.7282   37.376   8.7161   71.542   9.0028   72.798   8.8353 -1.255676 12.61403 
1 1 1   17   11   60 o   65.040   6.7842   30.136   5.9779   29.287   8.3565   31.025   8.5552   64.094   9.6212   65.986   9.5674 -1.892433 13.56843 
1 1 1   17   11   61 o   42.478   8.7887   13.779   5.3885   14.759   7.2315   12.557   8.0797   44.057   11.853   40.898   12.980 3.159046 17.57747 
1 1 1   17   11   62 o   32.328   8.7013   2.8851   5.6795   12.951   9.1461  -3.4324   7.2459   41.525   13.857   23.132   10.528 18.39225 17.40269 
1 1 1   17   11   63 o   45.654   9.2097   14.323   6.1175   25.085   10.124   8.1335   7.6777   56.538   13.415   34.769   12.622 21.76960 18.41942 
1 1 1   17   11   64 o   30.802   8.4872   2.7680   5.9833  -8.4554   9.3061   10.677   7.8121   23.612   11.142   37.991   12.806 -14.37844 16.97444 
1 1 1   17   11   65 o   32.547   9.8708   2.4849   7.5280   1.8277   9.4145   3.6501   12.536   30.174   12.919   34.919   14.928 -4.744680 19.74166 
1 1 1   17   11   66 o   59.920   16.350   30.432   13.646   0.0000   0.0000   30.432   13.646  ?   ?    59.920   16.350      ?      ? 
1 1 1   17   12    0 o  164.881   4.6091  184.947   10.276  196.119   14.394  173.337   14.674  169.983   6.2487  159.780   6.7772 10.20251 9.218234 
1 1 1   17   12    1 o  387.512   5.5984  1018.04   29.355  1098.98   42.569  944.647   40.534  402.180   7.8107  372.844   8.0225 29.33630 11.19675 
1 1 1   17   12    2 o  318.108   6.5680  692.364   25.957  698.523   31.109  678.248   47.093  320.704   7.1581  315.511   11.014 5.193451 13.13592 
1 1 1   17   12    3 o  157.704   7.3483  168.833   15.651  163.354   21.140  175.478   23.281  154.906   10.071  160.503   10.704 -5.597183 14.69654 
1 1 1   17   12    4 o  223.370   6.0494  339.204   16.424  339.168   19.345  339.297   31.084  223.519   6.3866  223.222   10.276 0.2974091 12.09883 
1 1 1   17   12    5 o  344.957   7.5330  808.462   35.214   0.0000   0.0000  808.462   35.214  ?   ?   344.957   7.5330      ?      ? 
1 1 1   17   12    6 o  222.452   6.6134  336.007   19.936   0.0000   0.0000  336.007   19.936  ?   ?   222.452   6.6134      ?      ? 
1 1 1   17   12    7 o  175.013   4.4645  207.527   10.565  202.014   14.395  213.963   15.555  172.508   6.1577  177.519   6.4662 -5.011475 8.929056 
1 1 1   17   12    8 o  290.405   6.4330  594.381   23.176  629.288   28.141  520.787   40.860  304.397   6.8220  276.412   10.908 27.98489 12.86594 
1 1 1   17   12    9 o  352.306   6.7207  848.282   28.881  852.751   34.143  837.043   54.148  354.301   7.1112  350.310   11.406 3.990356 13.44148 
1 1 1   17   12   10 f  317.151   6.4696  695.967   24.911  711.024   29.489  658.450   46.548  323.558   6.7254  310.743   11.054 12.81540 12.93921 
1 1 1   17   12   11 o  236.662   10.330  381.661   33.129   0.0000   0.0000  381.661   33.129  ?   ?   236.662   10.330      ?      ? 
1 1 1   17   12   12 o  243.162   6.7293  401.111   21.722  395.297   27.940  409.994   34.537  241.057   8.5532  245.266   10.391 -4.208405 13.45869 
1 1 1   17   12   13 o  261.780   6.1142  458.620   19.519  449.053   22.926  483.828   37.215  257.128   6.5796  266.432   10.307 -9.304260 12.22832 
1 1 1   17   12   14 o  147.159   6.5358  160.348   10.932  173.665   12.746  123.305   21.258  159.938   5.8810  134.379   11.674 25.55882 13.07151 
1 1 1   17   12   15 o  229.511   6.0239  354.740   16.600  350.553   19.353  366.395   32.289  227.196   6.2858  231.827   10.278 -4.630890 12.04786 
1 1 1   17   12   16 o  211.548   6.1047  307.094   15.356  309.889   17.899  299.301   29.886  213.615   6.1834  209.481   10.528 4.134140 12.20945 
1 1 1   17   12   17 o  268.052   5.9548  499.123   17.290  506.145   19.401  472.021   38.115  273.084   5.2425  263.021   10.694 10.06332 11.90960 
1 1 1   17   12   18 o  403.655   6.7914  1087.86   30.473  1071.42   34.258  1150.19   66.693  397.147   6.3655  410.163   11.999 -13.01532 13.58282 
1 1 1   17   12   19 o  255.040   5.8544  449.615   16.125  454.310   18.059  431.146   35.817  258.720   5.1508  251.361   10.515 7.358612 11.70875 
1 1 1   17   12   20 o  211.684   5.7274  308.847   12.748  311.195   14.148  298.714   29.389  214.141   4.8756  209.228   10.365 4.913498 11.45475 
1 1 1   17   12   21 o  150.144   5.9022  155.871   8.8375  157.051   9.6721  149.908   21.748  152.132   4.6916  148.156   10.832 3.975723 11.80436 
1 1 1   17   12   22 o  252.872   5.7972  427.280   15.676  422.356   17.405  448.444   36.082  249.439   5.1490  256.306   10.388 -6.867340 11.59435 
1 1 1   17   12   23 o  283.493   5.3738  545.668   20.645  545.668   20.645   0.0000   0.0000  283.493   5.3738  ?   ?       ?      ? 
1 1 1   17   12   24 o  228.270   6.2780  354.079   19.420  354.079   19.420   0.0000   0.0000  228.270   6.2780  ?   ?       ?      ? 
1 1 1   17   12   25 o  170.672   6.0461  197.908   13.984  197.908   13.984   0.0000   0.0000  170.672   6.0461  ?   ?       ?      ? 
1 1 1   17   12   26 o  265.164   6.1398  468.900   19.684  456.918   22.972  502.001   38.181  259.257   6.5385  271.070   10.394 -11.81277 12.27954 
1 1 1   17   12   27 o  204.879   5.9082  272.253   14.407  258.435   16.573  314.985   29.145  194.997   6.2719  214.762   10.014 -19.76579 11.81631 
1 1 1   17   12   28 o   89.896   8.3317   60.902   6.5380   62.762   7.0681   49.875   17.207   96.129   5.4258   83.662   15.755 12.46712 16.66339 
1 1 1   17   12   29 o   76.296   8.8365   40.901   6.0316   40.982   6.4879   40.381   16.373   77.649   6.1657   74.943   16.563 2.706207 17.67306 
1 1 1   17   12   30 o  140.842   5.7752  122.464   8.3207  116.456   9.0490  155.347   21.169  130.956   5.0991  150.729   10.364 -19.77328 11.55037 
1 1 1   17   12   31 o   52.860   9.2256   22.843   5.2789   24.748   5.6800   10.764   14.302   60.308   6.9501   45.412   17.092 14.89573 18.45125 
1 1 1   17   12   32 o  190.028   5.9349  258.127   11.946  265.947   13.371  227.201   26.591  197.894   4.9859  182.162   10.772 15.73227 11.86972 
1 1 1   17   12   33 o  237.949   5.8597  390.858   15.260  394.257   17.162  378.018   33.354  240.907   5.2570  234.990   10.474 5.916519 11.71936 
1 1 1   17   12   34 o  170.501   6.1424  197.846   12.178  197.293   13.995  199.573   24.711  170.333   6.0630  170.670   10.684 -0.3374786 12.28476 
1 1 1   17   12   35 o  135.824   6.7592  125.584   12.441  125.584   12.441   0.0000   0.0000  135.824   6.7592  ?   ?       ?      ? 
1 1 1   17   12   36 o  134.040   6.5641  120.926   10.524  118.784   12.229  127.038   20.661  132.072   6.8331  136.008   11.210 -3.935867 13.12820 
1 1 1   17   12   37 o  108.629   7.1100   83.820   9.2684   87.621   10.974   74.365   17.308  113.388   7.1422  103.870   12.296 9.517570 14.21998 
1 1 1   17   12   38 o  161.407   6.0528  182.708   10.427  185.743   11.655  170.548   23.331  165.298   5.2033  157.516   10.930 7.782135 12.10556 
1 1 1   17   12   39 o  147.944   6.0876  151.522   9.6688  152.708   10.804  146.749   21.673  149.851   5.3201  146.038   10.951 3.813583 12.17527 
1 1 1   17   12   40 o   95.399   7.9883   67.510   8.4958   71.850   9.7820   54.185   17.140  102.624   7.0339   88.174   14.345 14.44997 15.97658 
1 1 1   17   12   41 o  116.991   7.4153   95.039   11.352   97.424   14.412   91.141   18.427  119.202   8.9217  114.780   11.847 4.422646 14.83064 
1 1 1   17   12   42 f   72.749   5.9182   36.117   5.8129   40.776   8.4965   32.016   7.9702   77.166   8.1252   68.333   8.6071 8.833298 11.83641 
1 1 1   17   12   43 o  107.966   4.9677   79.964   7.2182   68.984   10.174   91.091   10.242  100.414   7.4771  115.518   6.5427 -15.10339 9.935458 
1 1 1   17   12   44 o  129.025   6.7226  113.758   11.754   0.0000   0.0000  113.758   11.754  ?   ?   129.025   6.7226      ?      ? 
1 1 1   17   12   45 o  158.400   4.5977  171.255   9.8539  158.363   13.694  185.099   14.190  152.197   6.6396  164.604   6.3616 -12.40718 9.195400 
1 1 1   17   12   46 o   63.356   6.5587   27.694   5.6242   28.135   8.1850   27.300   7.7411   63.809   9.4658   62.904   9.0812 0.9053802 13.11749 
1 1 1   17   12   47 o   92.080   5.9172   57.612   7.2625   54.234   9.3461   62.762   11.538   88.825   7.7645   95.334   8.9313 -6.509193 11.83448 
1 1 1   17   12   48 o   38.748   8.5062   10.101   5.4866   16.248   7.3638   2.4301   8.2261   47.239   11.590   30.257   12.453 16.98178 17.01231 
1 1 1   17   12   49 o   42.217   9.9644   12.745   6.4792   14.940   7.4078   5.5974   13.366   45.237   11.918   39.196   15.973 6.041233 19.92876 
1 1 1   17   12   50 o  148.384   6.4385  155.340   11.383  158.109   13.333  147.898   21.862  151.774   6.4828  144.994   11.126 6.780670 12.87709 
1 1 1   17   12   51 o  129.842   4.8396  116.086   8.4855  103.834   11.872  128.882   12.133  122.746   7.1372  136.937   6.5383 -14.19156 9.679272 
1 1 1   17   12   52 o   52.791   7.7313   20.321   5.3494   22.673   7.7160   18.143   7.4230   55.893   10.574   49.689   11.282 6.204041 15.46268 
1 1 1   17   12   53 o   39.813   8.3751   11.402   5.0205   7.4883   7.1339   15.243   7.0668   34.223   12.198   45.404   11.479 -11.18026 16.75013 
1 1 1   17   12   54 o   63.792   6.9458   29.332   5.7752   24.117   8.2031   34.456   8.1321   57.367   10.951   70.216   8.5464 -12.84934 13.89154 
1 1 1   17   12   55 o   50.456   9.2663   19.508   6.2772   17.828   10.389   20.474   7.8781   48.412   14.612   52.501   11.400 -4.089153 18.53261 
1 1 1   17   12   56 o   47.453   8.5441   16.979   5.5168   15.743   7.7970   18.218   7.8070   45.678   12.315   49.227   11.846 -3.549187 17.08812 
1 1 1   17   12   57 f   53.337   8.1045   21.307   5.6834   22.228   8.1261   20.424   7.9517   54.527   11.366   52.147   11.556 2.380367 16.20905 
1 1 1   17   12   58 o   45.674   9.8592   16.317   6.5384   13.442   11.603   17.655   7.9148   43.217   15.540   48.130   12.137 -4.912891 19.71842 
1 1 1   17   12   59 o  108.306   6.5713   85.037   9.0729   79.401   15.387   88.041   11.234  104.503   10.865  112.109   7.3942 -7.606316 13.14263 
1 1 1   17   12   60 o   42.881   9.6718   14.579   6.5368   8.2642   11.374   17.693   7.9878   37.842   14.968   47.919   12.253 -10.07695 19.34357 
1 1 1   17   12   61 o   48.068   10.976   16.549   8.8160   6.4450   11.794   29.343   13.272   36.528   14.958   59.609   16.066 -23.08094 21.95140 
1 1 1   17   12   62 o   35.149   14.652   5.0857   11.592   0.0000   0.0000   5.0857   11.592  ?   ?    35.149   14.652      ?      ? 
1 1 1   17   12   63 f   41.681   15.941   12.273   12.565   0.0000   0.0000   12.273   12.565  ?   ?    41.681   15.941      ?      ? 
1 1 1   17   13    0 o  245.988   4.7697  411.187   15.889  416.072   22.144  406.003   22.811  247.507   6.6023  244.469   6.8856 3.038757 9.539463 
1 1 1   17   13    1 o  296.997   5.0071  598.997   20.115  650.200   28.844  550.519   28.066  309.370   6.8801  284.625   7.2765 24.74469 10.01413 
1 1 1   17   13    2 o  208.456   4.6265  293.470   13.031  272.393   17.639  318.795   19.335  200.266   6.4997  216.647   6.5859 -16.38046 9.253057 
1 1 1   17   13    3 o  252.728   6.8768  433.934   23.552   0.0000   0.0000  433.934   23.552  ?   ?   252.728   6.8768      ?      ? 
1 1 1   17   13    4 o  120.836   4.9100  100.452   7.9389  113.201   10.915   86.131   11.568  129.112   6.2384  112.561   7.5839 16.55094 9.820029 
1 1 1   17   13    5 o   80.493   5.6210   42.845   6.0391   34.619   7.8680   54.640   9.4216   71.343   8.1383   89.644   7.7557 -18.30135 11.24201 
1 1 1   17   13    6 o  184.858   4.5505  233.324   11.332  258.569   15.870  207.064   16.186  195.142   6.0014  174.573   6.8419 20.56921 9.101010 
1 1 1   17   13    7 o  157.665   4.5475  166.187   9.6371  142.889   12.774  196.969   14.683  145.036   6.4992  170.293   6.3624 -25.25716 9.095047 
1 1 1   17   13    8 o  130.637   6.4356  109.938   9.6208  104.910   10.869  128.129   20.674  124.275   6.4541  136.999   11.136 -12.72413 12.87126 
1 1 1   17   13    9 o  199.918   6.1544  282.216   14.647  294.473   17.247  250.505   27.741  208.231   6.1122  191.605   10.684 16.62650 12.30886 
1 1 1   17   13   10 o  195.440   6.0238  248.869   13.925  238.012   15.988  282.984   28.341  187.190   6.3028  203.691   10.267 -16.50145 12.04756 
1 1 1   17   13   11 o  180.037   6.0864  235.845   11.216  244.768   12.460  197.730   25.753  189.922   4.8414  170.151   11.169 19.77089 12.17288 
1 1 1   17   13   12 o  215.965   5.9487  332.459   13.566  342.133   15.164  293.672   30.363  224.528   4.9838  207.402   10.803 17.12621 11.89736 
1 1 1   17   13   13 o  197.814   6.1347  272.423   14.489  279.485   17.005  253.711   27.682  202.840   6.1864  192.789   10.596 10.05032 12.26942 
1 1 1   17   13   14 o  148.796   6.5957  160.153   9.2589  164.122   10.060  138.168   23.677  155.515   4.7736  142.076   12.297 13.43895 13.19147 
1 1 1   17   13   15 o  161.722   4.8527  177.499   10.635  177.499   10.635   0.0000   0.0000  161.722   4.8527  ?   ?       ?      ? 
1 1 1   17   13   16 o  269.931   5.3030  494.671   19.398  494.671   19.398   0.0000   0.0000  269.931   5.3030  ?   ?       ?      ? 
1 1 1   17   13   17 o  275.938   5.3532  516.972   20.017  516.972   20.017   0.0000   0.0000  275.938   5.3532  ?   ?       ?      ? 
1 1 1   17   13   18 o  148.298   6.2481  155.493   9.0902  158.174   9.9371  141.746   22.502  152.660   4.8034  143.937   11.536 8.722916 12.49623 
1 1 1   17   13   19 o  189.623   5.7141  236.467   11.225  232.036   12.326  257.991   27.168  184.888   4.9197  194.359   10.315 -9.471054 11.42814 
1 1 1   17   13   20 o  242.783   6.2553  416.988   18.338  437.515   21.809  367.450   33.880  253.719   6.3430  231.848   10.783 21.87173 12.51057 
1 1 1   17   13   21 o  310.969   6.2320  670.182   21.370  678.397   24.119  640.178   46.094  316.030   5.6317  305.907   11.119 10.12369 12.46396 
1 1 1   17   13   22 o  209.066   5.6687  270.895   12.357  257.237   13.504  341.193   30.636  194.642   5.1197  223.490   10.116 -28.84773 11.33749 
1 1 1   17   13   23 o  143.257   6.7222  159.621   9.3446  170.165   10.343  112.771   21.802  158.324   4.8207  128.189   12.550 30.13539 13.44443 
1 1 1   17   13   24 o   55.786   9.1860   28.583   5.5340   31.926   5.9405   6.6290   15.223   68.526   6.3971   43.046   17.222 25.47990 18.37195 
1 1 1   17   13   25 o  110.346   6.5488   77.879   7.0290   75.739   7.5866   90.850   18.680  105.600   5.3016  115.092   11.977 -9.492546 13.09766 
1 1 1   17   13   26 o  151.671   6.1001  159.440   9.3029  160.737   10.204  153.054   22.638  153.860   4.8941  149.481   11.176 4.379532 12.20030 
1 1 1   17   13   27 o   96.690   7.4779   68.423   6.7265   70.271   7.2953   57.939   17.376  101.711   5.2929   91.669   13.988 10.04202 14.95571 
1 1 1   17   13   28 o  112.513   7.0763   94.339   7.5720   97.928   8.2741   75.839   18.784  120.076   5.0849  104.950   13.208 15.12665 14.15254 
1 1 1   17   13   29 o  216.931   5.6375  306.603   13.132  298.000   14.545  344.535   30.542  209.452   5.1243  224.410   10.043 -14.95857 11.27494 
1 1 1   17   13   30 o  153.012   6.0892  161.569   9.5432  162.520   10.512  157.109   22.761  154.679   5.0149  151.344   11.098 3.335312 12.17845 
1 1 1   17   13   31 o   89.401   7.4674   52.734   6.5252   51.851   7.0686   57.819   16.970   87.316   5.9739   91.485   13.688 -4.168488 14.93482 
1 1 1   17   13   32 o  117.231   6.6988   98.136   7.8971  100.314   8.6973   87.910   18.849  121.490   5.2827  112.971   12.312 8.518990 13.39755 
1 1 1   17   13   33 o  142.933   6.4405  137.468   10.883  135.134   12.568  144.459   21.754  140.872   6.5838  144.994   11.071 -4.122513 12.88092 
1 1 1   17   13   34 o  196.188   6.9076  267.007   18.046  284.533   23.918  243.847   27.495  203.995   8.6521  188.380   10.770 15.61455 13.81528 
1 1 1   17   13   35 o  123.477   7.6527  107.718   12.324  117.762   15.914   92.670   19.479  131.155   8.9538  115.800   12.413 15.35542 15.30544 
1 1 1   17   13   36 o  112.051   6.8393   89.877   8.1369   92.344   9.1110   80.153   18.087  116.475   5.7723  107.627   12.401 8.847366 13.67868 
1 1 1   17   13   37 o  135.296   6.8757  136.781   10.597  148.550   12.389  104.695   20.456  147.650   6.1920  122.942   12.278 24.70752 13.75143 
1 1 1   17   13   38 f   86.193   9.0889   60.366   8.1045   67.331   9.3431   39.195   16.289   99.307   6.9426   73.079   16.800 26.22788 18.17772 
1 1 1   17   13   39 o   48.049   12.027   16.642   7.8132   16.642   7.8132   0.0000   0.0000   48.049   12.027  ?   ?       ?      ? 
1 1 1   17   13   40 o  205.767   6.0068  289.720   13.296  289.113   14.832  292.203   30.007  206.035   5.3121  205.499   10.775 0.5362396 12.01361 
1 1 1   17   13   41 o  128.782   6.4228  112.551   8.8070  111.542   9.7773  116.890   20.278  127.905   5.6409  129.658   11.541 -1.752502 12.84562 
1 1 1   17   13   42 o   74.627   7.3762   38.170   7.4595   38.170   7.4595   0.0000   0.0000   74.627   7.3762  ?   ?       ?      ? 
1 1 1   17   13   43 o   87.940   6.4922   52.905   7.7368   52.905   7.7368   0.0000   0.0000   87.940   6.4922  ?   ?       ?      ? 
1 1 1   17   13   44 o   63.004   8.9259   22.999   6.0515   19.286   6.6650   40.425   14.440   51.931   9.8308   74.077   14.901 -22.14587 17.85180 
1 1 1   17   13   45 o   88.710   7.6614   55.489   6.9742   55.777   7.6950   54.169   16.503   90.253   6.2917   87.166   13.971 3.086952 15.32277 
1 1 1   17   13   46 o   66.161   9.5696   35.558   7.1249   38.971   8.1514   24.509   14.667   75.145   8.0048   57.176   17.385 17.96838 19.13925 
1 1 1   17   13   47 f   71.572   5.9274   35.464   5.7482   36.048   8.2160   34.905   8.0450   72.144   8.4037   71.000   8.3615 1.144981 11.85487 
1 1 1   17   13   48 o   39.940   9.6494   11.197   6.0318   13.037   6.9057   5.2768   12.388   42.223   11.677   37.658   15.365 4.565208 19.29871 
1 1 1   17   13   49 o   39.758   10.055   9.9761   6.1922   9.8361   7.1133   10.414   12.582   37.480   12.207   42.036   15.982 -4.556126 20.11041 
1 1 1   17   13   50 o   41.439   8.4755   12.613   5.0311   12.247   7.1748   12.967   7.0567   40.910   12.097   41.969   11.875 -1.059563 16.95104 
1 1 1   17   13   51 o   78.028   5.6892   42.432   5.9973   38.391   8.4187   46.596   8.5458   74.164   8.3766   81.892   7.7007 -7.727829 11.37842 
1 1 1   17   13   52 o   91.938   5.3485   58.834   6.6549   62.296   9.4191   55.383   9.4037   94.710   7.3389   89.165   7.7825 5.545151 10.69704 
1 1 1   17   13   53 o   68.510   6.4214   33.288   5.9058   28.244   8.3502   38.336   8.3538   63.075   9.7691   73.944   8.3368 -10.86924 12.84280 
1 1 1   17   13   54 o   50.276   11.177   18.898   7.4176   0.0000   0.0000   18.898   7.4176  ?   ?    50.276   11.177      ?      ? 
1 1 1   17   13   55 o   59.212   9.6948   25.038   7.7791   0.0000   0.0000   25.038   7.7791  ?   ?    59.212   9.6948      ?      ? 
1 1 1   17   13   56 o   32.874   8.9407   6.0458   5.7977   0.0212   9.9752   9.1192   7.1247   29.888   13.046   35.860   12.229 -5.971504 17.88131 
1 1 1   17   13   57 o   46.222   10.596   13.618   8.3811   2.9008   10.963   28.689   13.001   33.109   14.051   59.334   15.863 -26.22528 21.19151 
1 1 1   17   13   58 o   30.719   13.944  -3.7646   12.604   0.0000   0.0000  -3.7646   12.604  ?   ?    30.719   13.944      ?      ? 
1 1 1   17   13   59 o   57.036   16.106   27.016   12.995   0.0000   0.0000   27.016   12.995  ?   ?    57.036   16.106      ?      ? 
1 1 1   17   14    0 o  252.391   4.8606  433.381   16.602  442.231   23.032  423.810   23.952  255.099   6.6626  249.683   7.0791 5.416580 9.721274 
1 1 1   17   14    1 o  269.638   5.7823  488.180   20.005  474.751   24.456  515.342   34.781  264.290   6.8284  274.986   9.3335 -10.69589 11.56467 
1 1 1   17   14    2 o  286.505   5.9127  559.227   21.774  560.152   26.854  557.452   37.205  287.065   6.9031  285.945   9.6013 1.120117 11.82534 
1 1 1   17   14    3 o  203.058   5.4670  277.780   14.277  272.026   17.523  289.142   24.625  200.084   6.4625  206.031   8.8197 -5.946716 10.93395 
1 1 1   17   14    4 o  202.031   5.3994  274.387   14.015  267.615   17.167  287.920   24.268  198.459   6.3833  205.603   8.7102 -7.143997 10.79879 
1 1 1   17   14    5 o  152.790   5.5325  160.756   10.816  164.863   13.359  152.941   18.427  155.769   6.3285  149.811   9.0767 5.957748 11.06507 
1 1 1   17   14    6 o  172.127   5.3798  201.479   11.881  201.298   14.613  201.833   20.404  172.125   6.2650  172.129   8.7476 -0.3631592E-02 10.75967 
1 1 1   17   14    7 o  162.142   8.8597  179.128   19.467   0.0000   0.0000  179.128   19.467  ?   ?   162.142   8.8597      ?      ? 
1 1 1   17   14    8 o  180.562   4.6623  223.224   11.321  247.887   15.737  196.770   16.298  191.017   6.0794  170.107   7.0703 20.91011 9.324612 
1 1 1   17   14    9 f  209.963   5.9668  299.159   13.108  298.529   14.491  301.993   30.736  209.703   5.0995  210.223   10.789 -0.5203247 11.93364 
1 1 1   17   14   10 o  128.453   7.0564  129.420   8.5273  137.599   9.3708   90.026   20.565  142.381   4.8567  114.525   13.251 27.85620 14.11274 
1 1 1   17   14   11 o  141.064   6.1295  127.316   8.6022  123.652   9.3289  148.126   22.232  134.958   5.1009  147.170   11.147 -12.21147 12.25899 
1 1 1   17   14   12 o  195.227   5.8729  257.731   11.919  256.687   13.147  262.549   28.243  194.452   4.9894  196.003   10.633 -1.550186 11.74574 
1 1 1   17   14   13 o  191.537   5.8331  239.848   11.490  234.708   12.584  265.594   28.166  185.938   4.9943  197.137   10.543 -11.19897 11.66619 
1 1 1   17   14   14 o  144.155   6.3170  144.441   8.9598  145.736   9.7796  137.678   22.355  146.518   4.9255  141.792   11.634 4.726685 12.63401 
1 1 1   17   14   15 f  220.662   5.8286  316.905   13.501  308.736   14.858  355.597   32.337  213.234   5.1419  228.090   10.462 -14.85553 11.65713 
1 1 1   17   14   16 o  188.628   6.2428  234.145   13.801  226.200   15.805  259.649   28.316  182.409   6.3940  194.846   10.724 -12.43631 12.48568 
1 1 1   17   14   17 o  127.510   7.1862  117.913   10.117  123.519   11.540   99.291   21.032  134.795   6.3177  120.225   12.909 14.56921 14.37247 
1 1 1   17   14   18 o  119.475   7.1099   97.520   9.4250   97.504   10.629   97.580   20.389  119.742   6.5502  119.207   12.621 0.5353775 14.21974 
1 1 1   17   14   19 o  182.145   6.0873  212.914   12.954  201.064   14.746  252.956   27.107  171.966   6.3279  192.323   10.401 -20.35707 12.17453 
1 1 1   17   14   20 o   91.982   7.6954   55.072   7.7015   53.249   8.5598   62.823   17.646   88.452   7.1412   95.512   13.634 -7.060608 15.39074 
1 1 1   17   14   21 o   68.233   9.5519   33.687   6.7143   34.298   7.4171   30.918   15.802   70.957   7.7135   65.509   17.477 5.448196 19.10376 
1 1 1   17   14   22 o  104.117   7.3931   77.832   8.4119   80.616   9.5281   67.995   17.910  108.868   6.4584   99.366   13.301 9.501694 14.78610 
1 1 1   17   14   23 o   86.601   7.8417   49.727   7.4726   48.569   8.3566   54.349   16.693   84.451   7.3020   88.751   13.880 -4.300072 15.68341 
1 1 1   17   14   24 o  135.810   6.6530  125.722   10.255  125.442   11.662  126.679   21.535  135.797   6.3373  135.823   11.700 -0.2648926E-01 13.30592 
1 1 1   17   14   25 o  130.454   6.7709  120.257   10.028  123.737   11.500  109.219   20.481  134.865   6.2925  126.043   11.991 8.822601 13.54174 
1 1 1   17   14   26 f   94.108   7.4050   54.745   7.9597   50.231   8.9282   72.228   17.573   85.835   7.6757  102.382   12.666 -16.54702 14.81001 
1 1 1   17   14   27 o  102.715   7.4713   71.673   8.9503   71.009   10.288   73.739   18.154  102.061   7.4382  103.369   12.960 -1.307594 14.94251 
1 1 1   17   14   28 o  102.885   7.8834   72.668   10.241   72.525   12.409   72.975   18.135  102.990   8.8910  102.779   13.021 0.2111435 15.76684 
1 1 1   17   14   29 o   60.168   9.6272   31.645   8.1640   42.507   9.6802   4.8865   15.194   78.814   9.0635   41.523   16.988 37.29155 19.25440 
1 1 1   17   14   30 o   81.418   9.1604   48.434   7.9197   49.817   8.9657   43.521   16.896   85.419   7.7454   77.417   16.603 8.002808 18.32080 
1 1 1   17   14   31 o  211.987   6.0130  320.099   13.733  329.001   15.447  286.514   30.003  219.956   5.1822  204.017   10.852 15.93839 12.02608 
1 1 1   17   14   32 o  148.970   6.0160  145.015   9.4783  141.070   10.453  163.255   22.476  143.995   5.3570  153.945   10.774 -9.950409 12.03207 
1 1 1   17   14   33 o  150.091   5.9802  149.842   9.4471  147.290   10.428  161.520   22.309  147.131   5.2303  153.051   10.756 -5.919189 11.96045 
1 1 1   17   14   34 o   71.744   9.1349   39.044   6.2991   40.323   6.9003   32.651   15.429   76.870   6.6241   66.617   17.027 10.25315 18.26972 
1 1 1   17   14   35 f   88.540   7.7790   55.311   6.8338   55.849   7.4813   52.600   16.793   90.497   6.1004   86.584   14.312 3.913399 15.55795 
1 1 1   17   14   36 o  107.123   7.5619   88.214   7.8825   92.907   8.7016   66.748   18.610  116.771   5.4990   97.476   14.089 19.29475 15.12384 
1 1 1   17   14   37 o  108.348   5.8474   80.081   8.5854   80.081   8.5854   0.0000   0.0000  108.348   5.8474  ?   ?       ?      ? 
1 1 1   17   14   38 o   65.141   7.8581   29.129   6.9367   29.129   6.9367   0.0000   0.0000   65.141   7.8581  ?   ?       ?      ? 
1 1 1   17   14   39 f   94.489   7.5934   63.362   7.2906   64.067   8.0338   60.070   17.355   96.827   6.1227   92.150   13.898 4.676254 15.18684 
1 1 1   17   14   40 o  113.766   6.9714   95.840   8.1659   99.603   9.1010   80.296   18.496  120.787   5.5601  106.744   12.786 14.04307 13.94277 
1 1 1   17   14   41 o  108.807   6.8040   80.632   7.7920   79.731   8.6196   84.661   18.224  107.984   5.8903  109.629   12.267 -1.644051 13.60797 
1 1 1   17   14   42 o  110.752   7.1003   84.491   9.1858   83.523   10.571   87.475   18.563  110.247   7.0755  111.256   12.312 -1.009354 14.20063 
1 1 1   17   14   43 o   32.306   12.282   5.5068   7.4311   5.5068   7.4311   0.0000   0.0000   32.306   12.282  ?   ?       ?      ? 
1 1 1   17   14   44 o   90.661   8.4376   64.532   7.3220   67.819   8.1296   50.408   16.850   99.452   6.0322   81.869   15.760 17.58334 16.87513 
1 1 1   17   14   45 o  129.417   6.7281  125.174   9.0570  130.493   10.138  104.146   20.158  138.060   5.4187  120.773   12.317 17.28712 13.45615 
1 1 1   17   14   46 o   72.925   8.7842   38.673   6.4261   38.650   7.0958   38.781   15.153   74.830   6.9975   71.021   16.115 3.809586 17.56837 
1 1 1   17   14   47 o   43.016   10.515   11.101   6.2696   9.5462   6.9977   17.426   14.115   36.895   12.112   49.136   17.191 -12.24084 21.02926 
1 1 1   17   14   48 o   58.782   9.9258   24.256   6.7011   22.681   7.5424   30.157   14.600   55.768   10.362   61.797   16.933 -6.029057 19.85169 
1 1 1   17   14   49 f   98.320   7.3453   66.641   8.5769   64.304   9.9103   73.617   17.120   96.107   7.6094  100.534   12.566 -4.427658 14.69055 
1 1 1   17   14   50 o   74.804   8.5569   38.432   7.4414   35.459   8.5699   47.543   15.003   70.918   8.9173   78.689   14.607 -7.770111 17.11383 
1 1 1   17   14   51 o   70.557   10.099   37.326   9.1301   33.147   11.575   44.208   14.854   65.842   13.428   75.271   15.088 -9.429688 20.19749 
1 1 1   17   14   52 o   57.269   8.6653   27.221   6.3460   16.751   10.916   32.566   7.7993   46.611   15.118   67.928   8.4728 -21.31721 17.33063 
1 1 1   17   14   53 o   46.045   10.838   13.595   8.1210   6.1783   10.184   26.549   13.459   35.094   14.070   56.996   16.488 -21.90150 21.67504 
1 1 1   17   14   54 o   38.996   15.693   8.3539   12.721   0.0000   0.0000   8.3539   12.721  ?   ?    38.996   15.693      ?      ? 
1 1 1   17   14   55 o   50.626   16.829   20.924   13.495   0.0000   0.0000   20.924   13.495  ?   ?    50.626   16.829      ?      ? 
1 1 1   17   15    0 o  110.336   5.2924   83.148   7.8519   85.485   10.557   80.255   11.746  112.111   6.9489  108.562   7.9843 3.549332 10.58473 
1 1 1   17   15    1 o  120.746   5.1405   98.813   8.3799   95.002   11.290  103.489   12.505  118.179   7.0496  123.314   7.4834 -5.135254 10.28093 
1 1 1   17   15    2 o   83.202   8.4743   46.766   8.8210   49.208   16.073   45.713   10.552   84.561   14.026   81.843   9.5143 2.717751 16.94852 
1 1 1   17   15    3 o  129.849   7.0054  120.224   11.229  102.194   19.772  128.809   13.643  122.114   11.948  137.583   7.3176 -15.46980 14.01076 
1 1 1   17   15    4 o  173.967   4.8880  204.095   11.474  185.432   15.405  227.347   17.194  165.114   6.8848  182.820   6.9403 -17.70566 9.775949 
1 1 1   17   15    5 o  149.268   4.9509  150.239   9.9677  137.627   13.338  166.193   15.002  142.242   6.9193  156.294   7.0830 -14.05194 9.901781 
1 1 1   17   15    6 o  162.307   4.9283  181.341   10.703  207.710   14.844  152.791   15.445  174.804   6.2664  149.809   7.6082 24.99471 9.856550 
1 1 1   17   15    7 o  107.693   5.5576   79.132   8.0449   80.174   10.756   77.809   12.121  108.536   7.3128  106.850   8.3708 1.686707 11.11520 
1 1 1   17   15    8 o  208.780   4.7818  296.469   13.494  296.303   18.431  296.662   19.810  208.745   6.5157  208.814   7.0006 -0.6892395E-01 9.563647 
1 1 1   17   15    9 o  160.832   6.4381  168.577   12.133  161.257   13.866  192.487   25.061  153.981   6.6451  167.682   11.029 -13.70067 12.87612 
1 1 1   17   15   10 f  121.924   7.2316  111.844   8.2273  116.324   8.9622   87.838   20.746  130.882   5.0530  112.966   13.552 17.91567 14.46315 
1 1 1   17   15   11 o   88.268   8.4233   54.106   6.4979   54.071   6.9651   54.342   18.046   89.202   5.7619   87.334   15.831 1.867485 16.84662 
1 1 1   17   15   12 f  141.366   6.3324  131.259   8.8626  128.970   9.6250  144.017   22.721  137.802   5.1542  144.931   11.568 -7.129059 12.66473 
1 1 1   17   15   13 o  105.389   7.0243   72.227   7.1674   70.710   7.7398   81.363   18.991  102.011   5.5988  108.767   12.885 -6.756294 14.04851 
1 1 1   17   15   14 o  171.923   6.1662  200.872   10.695  200.472   11.711  202.885   26.251  171.808   5.0300  172.037   11.260 -0.2292023 12.33233 
1 1 1   17   15   15 o  105.957   7.0124   70.562   7.2139   68.077   7.7712   86.051   19.400  100.081   5.7300  111.834   12.801 -11.75268 14.02482 
1 1 1   17   15   16 f  217.750   6.1848  341.736   14.185  353.522   15.871  294.937   31.626  228.129   5.1337  207.372   11.254 20.75694 12.36958 
1 1 1   17   15   17 o  196.802   5.9271  253.223   12.154  247.285   13.355  281.859   29.325  190.787   5.1654  202.818   10.670 -12.03041 11.85412 
1 1 1   17   15   18 o   65.153   9.7679   31.380   5.8621   31.994   6.2739   27.163   16.451   68.557   6.7531   61.750   18.331 6.806355 19.53578 
1 1 1   17   15   19 o  109.800   6.7781   76.287   7.3813   73.606   7.9898   91.906   19.284  104.052   5.6664  115.549   12.315 -11.49719 13.55628 
1 1 1   17   15   20 o  164.103   6.4096  191.318   11.792  197.469   13.468  171.112   24.412  170.401   5.8322  157.804   11.416 12.59760 12.81914 
1 1 1   17   15   21 o  158.162   6.5833  180.891   11.539  189.014   13.170  154.059   23.937  166.703   5.8300  149.621   11.806 17.08131 13.16661 
1 1 1   17   15   22 o  136.241   6.6059  127.536   9.9315  127.897   11.187  126.193   21.575  137.100   6.0215  135.383   11.760 1.716721 13.21187 
1 1 1   17   15   23 o  117.214   6.8718   96.310   8.0171   97.378   8.7816   90.966   19.645  119.669   5.4152  114.760   12.632 4.908958 13.74369 
1 1 1   17   15   24 o   59.901   9.2182   35.843   6.0498   41.059   6.5352   4.5898   15.997   77.654   6.2103   42.147   17.359 35.50716 18.43639 
1 1 1   17   15   25 o  121.477   6.5927   98.787   8.0763   97.634   8.8239  104.738   20.048  119.804   5.4351  123.150   12.013 -3.346062 13.18534 
1 1 1   17   15   26 o   72.567   9.8571   46.216   6.5074   49.889   7.0517   25.139   16.891   85.586   6.0801   59.547   18.753 26.03894 19.71427 
1 1 1   17   15   27 o  137.210   6.1690  118.316   8.6933  113.100   9.4755  146.054   21.851  128.917   5.4238  145.502   11.082 -16.58423 12.33802 
1 1 1   17   15   28 o   81.488   8.8580   49.041   6.5804   49.992   7.1451   43.733   16.889   85.643   6.1565   77.333   16.612 8.309341 17.71590 
1 1 1   17   15   29 o  113.426   6.9980   89.767   7.9381   90.365   8.6972   86.785   19.428  115.189   5.5717  111.663   12.839 3.526154 13.99593 
1 1 1   17   15   30 o  132.980   6.6216  116.931   8.7505  114.773   9.5134  128.791   22.302  129.818   5.4078  136.141   12.089 -6.322662 13.24318 
1 1 1   17   15   31 o  140.784   5.3531  135.008   10.213  135.008   10.213   0.0000   0.0000  140.784   5.3531  ?   ?       ?      ? 
1 1 1   17   15   32 o  111.454   5.7279   84.712   8.6511   84.712   8.6511   0.0000   0.0000  111.454   5.7279  ?   ?       ?      ? 
1 1 1   17   15   33 o   93.592   7.6611   57.514   7.2302   55.941   7.8761   65.941   18.231   90.474   6.4240   96.711   13.910 -6.237282 15.32217 
1 1 1   17   15   34 o   92.555   7.7848   59.634   8.1697   59.662   9.3039   59.543   17.074   93.275   7.3607   91.835   13.720 1.439568 15.56970 
1 1 1   17   15   35 o  126.462   6.5371  112.176   8.5740  113.122   9.4898  107.973   20.005  128.758   5.4388  124.165   11.889 4.592957 13.07430 
1 1 1   17   15   36 o   58.178   9.5198   25.776   5.9580   26.720   6.5378   21.150   14.472   62.325   7.7408   54.031   17.395 8.294132 19.03964 
1 1 1   17   15   37 o  101.029   6.7791   66.869   7.2110   64.618   7.9367   77.516   17.261   97.179   6.0268  104.880   12.145 -7.701378 13.55819 
1 1 1   17   15   38 o   62.864   9.3315   31.339   6.0092   32.883   6.6061   23.932   14.466   69.167   7.0480   56.560   17.281 12.60704 18.66291 
1 1 1   17   15   39 o  110.642   6.5796   84.028   7.6977   83.338   8.5345   87.038   17.826  110.346   5.7074  110.938   11.857 -0.5922394 13.15926 
1 1 1   17   15   40 o   44.983   9.5667   14.670   5.4123   15.181   5.9483   12.210   13.047   45.771   9.8796   44.196   16.385 1.575233 19.13331 
1 1 1   17   15   41 o   84.447   7.1020   44.933   6.4075   42.014   7.0429   58.955   15.436   78.130   6.6519   90.765   12.550 -12.63426 14.20396 
1 1 1   17   15   42 o   49.059   8.8491   21.335   5.6472   24.747   6.1965   4.6042   13.720   59.770   7.6502   38.348   15.959 21.42264 17.69823 
1 1 1   17   15   43 o  110.093   6.8222   84.731   7.9342   84.432   8.8101   86.018   18.253  110.853   5.8648  109.333   12.320 1.519386 13.64445 
1 1 1   17   15   44 o  107.953   7.2580   86.267   8.9969   90.134   10.445   75.145   17.712  114.205   6.7488  101.702   12.852 12.50297 14.51591 
1 1 1   17   15   45 o   47.924   11.284   16.175   8.1425   13.889   9.8711   21.043   14.404   43.567   14.389   52.280   17.387 -8.713631 22.56861 
1 1 1   17   15   46 o   56.430   10.898   22.296   8.4030   15.387   10.297   36.070   14.539   45.310   14.682   67.550   16.109 -22.23988 21.79604 
1 1 1   17   15   47 o  101.841   9.7889   73.868   13.510   73.868   13.510   0.0000   0.0000  101.841   9.7889  ?   ?       ?      ? 
1 1 1   17   15   48 o   82.524   9.9779   57.611   8.4681   62.116   9.6078   41.930   17.925   94.249   7.5226   70.800   18.484 23.44855 19.95587 
1 1 1   17   15   49 o   88.175   13.872   58.745   16.575   0.0000   0.0000   58.745   16.575  ?   ?    88.175   13.872      ?      ? 
1 1 1   17   15   50 o   56.177   17.282   26.165   14.440   0.0000   0.0000   26.165   14.440  ?   ?    56.177   17.282      ?      ? 
1 1 1   17   16    0 o  153.677   4.9869  160.658   10.334  159.770   13.919  161.748   15.425  153.238   6.7029  154.115   7.3857 -0.8769684 9.973845 
1 1 1   17   16    1 o  122.073   5.3250  101.721   8.7201  103.077   11.585   99.947   13.246  123.062   6.9466  121.084   8.0727 1.978638 10.65005 
1 1 1   17   16    2 o  184.772   4.8396  230.866   12.062  217.808   16.143  247.370   18.149  178.917   6.6581  190.627   7.0256 -11.71030 9.679288 
1 1 1   17   16    3 o  183.613   4.8855  228.220   12.098  217.416   16.193  241.869   18.201  178.749   6.6851  188.478   7.1260 -9.729279 9.770934 
1 1 1   17   16    4 o  101.259   5.6971   68.791   7.7441   62.017   10.139   78.279   11.998   95.387   7.8436  107.131   8.2647 -11.74440 11.39411 
1 1 1   17   16    5 o  141.726   4.9929  135.000   9.5203  122.295   12.578  152.043   14.568  134.032   6.9249  149.420   7.1946 -15.38777 9.985833 
1 1 1   17   16    6 o  182.154   4.8114  226.153   11.829  229.408   16.091  222.326   17.448  183.623   6.4667  180.686   7.1260 2.936615 9.622753 
1 1 1   17   16    7 o  180.991   4.8489  219.793   11.804  195.785   15.593  252.013   18.065  169.592   6.7850  192.390   6.9288 -22.79845 9.697715 
1 1 1   17   16    8 o  167.680   6.2277  186.278   13.262  208.441   23.823  176.326   15.964  174.485   10.075  160.874   7.3229 13.61093 12.45550 
1 1 1   17   16    9 o  107.053   7.3650   68.880   9.1793   60.966   10.336   98.420   19.969   94.534   8.0683  119.573   12.324 -25.03895 14.72995 
1 1 1   17   16   10 o   71.473   10.829   39.268   9.2559   43.039   10.812   28.920   17.910   79.271   10.065   63.676   19.178 15.59501 21.65850 
1 1 1   17   16   11 o  153.633   11.721  162.335   24.401   0.0000   0.0000  162.335   24.401  ?   ?   153.633   11.721      ?      ? 
1 1 1   17   16   12 o  118.300   7.8576  107.302   9.3718  114.128   10.460   79.528   21.100  129.526   5.9594  107.075   14.542 22.45094 15.71528 
1 1 1   17   16   13 o   92.584   9.1243   64.705   7.9312   67.047   8.7122   53.371   19.165   99.235   6.4786   85.932   17.060 13.30299 18.24851 
1 1 1   17   16   14 o   61.832   10.234   25.247   6.0100   24.759   6.4004   28.891   17.475   60.229   7.8418   63.435   18.907 -3.206074 20.46895 
1 1 1   17   16   15 o   79.646   9.4414   46.042   6.5664   46.518   7.0443   42.886   18.137   82.658   6.2888   76.634   17.805 6.023598 18.88278 
1 1 1   17   16   16 o  146.628   6.7462  155.657   9.7194  159.783   10.660  135.320   23.666  153.308   5.1310  139.948   12.479 13.36063 13.49249 
1 1 1   17   16   17 o   90.746   7.9784   51.312   6.8143   49.370   7.2926   64.679   19.131   85.137   6.3209   96.355   14.652 -11.21723 15.95683 
1 1 1   17   16   18 o  167.086   6.2526  189.230   10.613  188.238   11.634  194.147   25.902  166.376   5.1601  167.795   11.391 -1.419357 12.50529 
1 1 1   17   16   19 o   90.037   8.0828   53.623   6.8181   52.753   7.3248   59.266   18.657   88.001   6.1422   92.074   14.953 -4.072792 16.16552 
1 1 1   17   16   20 o   89.512   9.2360   63.674   7.1390   66.558   7.7361   47.124   18.531   98.868   5.7741   80.157   17.546 18.71043 18.47206 
1 1 1   17   16   21 o  134.683   6.6320  127.734   8.9092  129.324   9.7685  119.869   21.723  137.863   5.2288  131.504   12.190 6.358902 13.26404 
1 1 1   17   16   22 o  136.226   6.3606  119.322   8.7722  115.499   9.5505  139.950   22.186  130.253   5.4107  142.200   11.513 -11.94725 12.72129 
1 1 1   17   16   23 o  107.598   8.7760   95.305   8.1250  101.418   8.8643   63.175   20.322  122.046   5.3597   93.149   16.714 28.89758 17.55193 
1 1 1   17   16   24 o  249.499   5.4288  423.995   18.355  423.995   18.355   0.0000   0.0000  249.499   5.4288  ?   ?       ?      ? 
1 1 1   17   16   25 o  206.216   5.2718  289.634   14.732  289.634   14.732   0.0000   0.0000  206.216   5.2718  ?   ?       ?      ? 
1 1 1   17   16   26 o   98.892   9.3467   75.185   7.8048   77.295   8.3946   61.735   21.195  106.452   5.8192   91.331   17.765 15.12122 18.69337 
1 1 1   17   16   27 o   80.665   8.1321   39.563   6.7015   36.896   7.2678   54.697   17.316   73.387   7.3080   87.942   14.530 -14.55424 16.26429 
1 1 1   17   16   28 o  114.863   7.1883   96.931   8.2587   99.938   9.1138   83.123   19.529  121.039   5.5564  108.687   13.259 12.35175 14.37655 
1 1 1   17   16   29 o  129.055   6.6066  115.188   8.7210  115.228   9.5960  114.999   20.904  129.962   5.4487  128.148   12.037 1.814224 13.21317 
1 1 1   17   16   30 o  116.827   6.3718   82.569   7.7371   76.770   8.4232  113.882   19.573  105.998   5.8640  127.657   11.314 -21.65909 12.74360 
1 1 1   17   16   31 o  149.074   6.0940  147.005   9.5795  143.308   10.565  164.090   22.712  144.888   5.3810  153.259   10.936 -8.371033 12.18808 
1 1 1   17   16   32 o  123.404   6.3797  101.872   8.2860   99.791   9.1449  111.412   19.584  120.841   5.5845  125.967   11.472 -5.126602 12.75939 
1 1 1   17   16   33 o   52.666   9.6138   15.712   5.5291   12.951   6.0374   30.071   13.767   42.226   10.574   63.105   16.059 -20.87871 19.22767 
1 1 1   17   16   34 o   58.701   9.3271   21.610   5.7373   19.826   6.2522   31.120   14.437   53.477   8.6274   63.925   16.539 -10.44792 18.65429 
1 1 1   17   16   35 o   59.871   9.2165   31.964   6.0565   35.772   6.7120   15.274   14.052   72.100   6.8697   47.642   17.105 24.45710 18.43295 
1 1 1   17   16   36 o  106.133   6.7871   80.071   7.4668   80.840   8.2715   76.685   17.354  108.627   5.6191  103.640   12.357 4.987801 13.57426 
1 1 1   17   16   37 f   54.115   9.3998   17.084   5.4435   14.412   5.9354   31.227   13.656   44.452   10.085   63.779   15.866 -19.32722 18.79966 
1 1 1   17   16   38 o   51.096   9.5928   18.403   5.4794   17.969   5.9899   20.623   13.563   49.949   9.1879   52.244   16.842 -2.294395 19.18553 
1 1 1   17   16   39 o   41.056   9.8575   11.846   5.9602   12.611   6.7301   9.0646   12.833   41.346   11.561   40.766   15.969 0.5793648 19.71493 
1 1 1   17   16   40 o   65.594   9.3485   35.136   6.8719   38.034   7.8692   25.827   14.104   73.902   7.8576   57.286   16.966 16.61649 18.69697 
1 1 1   17   16   41 o   71.868   9.2931   43.171   7.1342   47.190   8.1535   30.044   14.736   82.409   7.3011   61.327   17.092 21.08193 18.58620 
1 1 1   17   16   42 o   62.319   10.338   28.911   8.3254   25.257   10.374   35.522   13.955   57.408   13.552   67.229   15.616 -9.821075 20.67663 
1 1 1   17   16   43 o   68.257   9.9357   35.665   8.6810   36.192   10.836   34.722   14.505   70.683   11.313   65.830   16.337 4.852524 19.87131 
1 1 1   17   16   44 o   58.058   10.744   26.167   8.2377   24.868   10.144   28.681   14.115   56.747   13.405   59.369   16.793 -2.621841 21.48732 
1 1 1   17   16   45 o   56.630   16.512   26.118   13.451   0.0000   0.0000   26.118   13.451  ?   ?    56.630   16.512      ?      ? 
1 1 1   17   17    0 o  102.579   6.8025   73.398   9.2288   55.766   13.156   90.481   12.950   90.084   10.777  115.074   8.3042 -24.99071 13.60504 
1 1 1   17   17    1 o  122.936   5.4690  104.142   8.9781  109.927   11.935   96.602   13.626  126.995   6.9354  118.878   8.4582 8.117043 10.93806 
1 1 1   17   17    2 o  160.406   5.0565  176.040   10.910  180.712   14.682  170.280   16.304  162.860   6.6526  157.953   7.6168 4.906372 10.11304 
1 1 1   17   17    3 o   85.826   10.344   60.628   8.8595   66.247   9.9585   39.299   19.401   98.531   7.4583   73.122   19.297 25.40901 20.68859 
1 1 1   17   17    4 o   63.852   10.397   35.065   7.7415   39.811   8.6159   15.181   17.636   76.310   8.3318   51.395   19.051 24.91504 20.79330 
1 1 1   17   17    5 o  107.309   9.7854   97.040   10.098  108.597   11.468   57.142   21.307  126.225   6.7043   88.393   18.387 37.83192 19.57080 
1 1 1   17   17    6 o   80.012   6.7076   43.129   7.1575   39.834   9.2007   48.179   11.391   76.267   8.9022   83.756   10.036 -7.489082 13.41528 
1 1 1   17   17    7 o   58.160   8.3794   22.367   6.4191   15.835   8.1414   33.100   10.436   47.015   12.546   69.305   11.111 -22.28937 16.75875 
1 1 1   17   17    8 o   66.757   7.6241   31.263   6.5554   31.695   8.4251   30.601   10.436   67.993   9.1438   65.521   12.202 2.472191 15.24824 
1 1 1   17   17    9 o  119.628   7.2257   99.442   8.3479   99.889   9.0682   96.962   21.373  121.149   5.5235  118.106   13.354 3.043243 14.45139 
1 1 1   17   17   10 o  160.549   6.8339  198.068   11.009  210.705   12.274  146.072   24.898  175.997   5.1463  145.102   12.662 30.89445 13.66784 
1 1 1   17   17   11 o  120.572   7.0838   98.343   8.4242   97.580   9.1658  102.498   21.379  119.713   5.6500  121.430   12.992 -1.717216 14.16758 
1 1 1   17   17   12 o  118.627   7.6665  106.386   8.5571  110.612   9.3406   84.317   21.345  127.474   5.4072  109.780   14.348 17.69439 15.33297 
1 1 1   17   17   13 o   88.037   8.1468   47.837   6.8632   45.653   7.3595   62.409   19.011   81.790   6.6399   94.284   14.879 -12.49400 16.29364 
1 1 1   17   17   14 o  133.295   6.8359  112.619   8.8239  108.753   9.5047  136.745   23.743  126.362   5.5506  140.228   12.494 -13.86537 13.67172 
1 1 1   17   17   15 o  117.176   5.6110   93.543   8.9096   93.543   8.9096   0.0000   0.0000  117.176   5.6110  ?   ?       ?      ? 
1 1 1   17   17   16 o   78.561   8.7743   42.401   9.3412   42.401   9.3412   0.0000   0.0000   78.561   8.7743  ?   ?       ?      ? 
1 1 1   17   17   17 o   72.763   9.0134   36.421   8.8876   36.421   8.8876   0.0000   0.0000   72.763   9.0134  ?   ?       ?      ? 
1 1 1   17   17   18 o   77.920   10.247   44.953   8.3735   45.887   9.3596   41.209   18.742   81.725   8.4512   74.116   18.670 7.609856 20.49332 
1 1 1   17   17   19 o   94.929   9.7183   73.216   9.3314   80.286   10.642   49.711   19.406  108.275   7.2532   81.583   18.033 26.69193 19.43665 
1 1 1   17   17   20 o   93.570   9.2734   66.135   9.1179   69.244   10.369   55.530   19.148  100.475   7.6154   86.666   16.911 13.80949 18.54688 
1 1 1   17   17   21 o   79.026   9.8812   49.568   6.9400   51.434   7.5003   38.456   18.299   86.736   6.3811   71.315   18.704 15.42059 19.76238 
1 1 1   17   17   22 o   80.860   10.244   66.040   7.2423   73.701   7.8698   23.657   18.509  103.919   5.5884   57.801   19.711 46.11835 20.48747 
1 1 1   17   17   23 o  111.263   7.6353   91.031   8.2554   93.376   9.0390   79.234   20.270  116.932   5.7044  105.595   14.165 11.33645 15.27053 
1 1 1   17   17   24 o  152.072   5.9842  140.771   9.5504  131.101   10.428  191.103   23.790  138.557   5.5536  165.588   10.602 -27.03122 11.96837 
1 1 1   17   17   25 o  116.399   6.5357   84.035   7.8697   79.147   8.5756  110.110   19.807  107.582   5.8822  125.216   11.673 -17.63401 13.07138 
1 1 1   17   17   26 o   79.548   9.5052   52.503   6.8852   55.682   7.5328   36.365   16.974   90.172   6.1645   68.924   17.983 21.24789 19.01039 
1 1 1   17   17   27 f  142.374   6.4434  141.625   9.4601  142.150   10.444  139.227   22.330  144.234   5.3432  140.513   11.727 3.721466 12.88688 
1 1 1   17   17   28 o  131.641   6.3809  112.940   8.6514  109.121   9.4631  132.383   21.351  126.304   5.5288  136.979   11.502 -10.67553 12.76180 
1 1 1   17   17   29 o   87.691   8.6252   59.864   6.9106   62.066   7.5613   48.694   17.028   95.172   5.8628   80.209   16.224 14.96310 17.25045 
1 1 1   17   17   30 o   46.553   10.243   12.800   5.4269   11.443   5.8450   21.274   14.610   39.637   10.653   53.468   17.498 -13.83095 20.48574 
1 1 1   17   17   31 o   50.212   10.065   16.457   5.5353   15.523   5.9728   22.135   14.734   46.238   9.8347   54.187   17.563 -7.948719 20.12923 
1 1 1   17   17   32 o   47.729   10.458   14.097   6.1544   12.136   6.8062   22.889   14.411   40.717   11.709   54.741   17.331 -14.02364 20.91571 
1 1 1   17   17   33 o   54.472   8.4128   30.396   6.5367   39.047   7.3050  -4.3562   14.642   75.128   7.1753   33.816   15.219 41.31228 16.82558 
1 1 1   17   17   34 o   91.115   7.8567   61.345   7.9621   63.201   9.0888   55.222   16.511   95.570   7.0178   86.660   14.059 8.910027 15.71345 
1 1 1   17   17   35 o   55.961   10.988   22.942   8.2731   19.573   10.126   29.705   14.348   50.638   14.188   61.284   16.783 -10.64597 21.97694 
1 1 1   17   17   36 o   37.104   10.324   5.7162   7.3472   2.1919   9.0101   12.710   12.693   30.613   12.851   43.595   16.162 -12.98179 20.64821 
1 1 1   17   17   37 o   37.735   9.2009   7.4864   7.2489   18.065   9.0582 -11.3547   12.088   48.635   13.342   26.835   12.674 21.79998 18.40183 
1 1 1   17   17   38 o   44.424   10.810   14.493   7.6422   14.966   9.3280   13.526   13.328   44.475   13.925   44.374   16.539 0.1014481 21.62023 
1 1 1   17   17   39 o   53.195   10.135   24.016   7.9910   30.752   9.8514   11.058   13.664   64.109   11.773   42.280   16.501 21.82858 20.27090 
1 1 1   17   17   40 o   50.663   17.078   20.364   13.893   0.0000   0.0000   20.364   13.893  ?   ?    50.663   17.078      ?      ? 
1 1 1   17   18    0 o   93.846   6.5804   62.831   8.0492   76.239   10.889   46.678   11.952  105.531   7.6143   82.161   10.734 23.36971 13.16074 
1 1 1   17   18    1 o  132.455   5.4091  120.856   9.6251  126.785   12.994  113.648   14.327  136.182   7.0411  128.728   8.2131 7.453949 10.81812 
1 1 1   17   18    2 o  172.330   5.8679  195.218   12.879  180.266   15.484  228.785   23.200  162.374   7.0371  182.285   9.3921 -19.91107 11.73590 
1 1 1   17   18    3 o  153.968   5.9553  152.959   11.533  138.240   13.667  189.363   21.493  142.171   7.0936  165.766   9.5679 -23.59464 11.91064 
1 1 1   17   18    4 o   77.951   8.0028   37.582   7.8574   30.567   9.2542   55.701   14.873   66.504   10.269   89.398   12.277 -22.89371 16.00551 
1 1 1   17   18    5 o   78.266   8.0845   40.720   7.9397   37.930   9.4366   47.483   14.691   74.189   9.3863   82.342   13.166 -8.152794 16.16907 
1 1 1   17   18    6 o  142.737   6.1472  130.309   10.935  116.880   12.850  165.561   20.820  130.660   7.2573  154.814   9.9239 -24.15469 12.29435 
1 1 1   17   18    7 o  118.756   5.6148   94.251   8.8855   83.641   11.372  110.884   14.238  110.462   7.5967  127.050   8.2700 -16.58809 11.22958 
1 1 1   17   18    8 o   78.892   10.270   47.152   8.4836   48.802   9.5103   40.724   18.771   84.264   8.3285   73.519   18.775 10.74500 20.53943 
1 1 1   17   18    9 o   66.663   9.9778   29.605   6.4232   28.680   6.9127   35.452   17.378   64.633   7.8924   68.693   18.328 -4.059120 19.95551 
1 1 1   17   18   10 o   52.809   9.4069   25.037   6.1993   28.797   6.7102   3.1294   16.197   64.780   7.6438   40.837   17.191 23.94358 18.81381 
1 1 1   17   18   11 o   58.981   10.642   24.963   7.3687   25.187   8.1970   24.020   16.822   60.292   10.033   57.670   18.771 2.622158 21.28401 
1 1 1   17   18   12 o   55.649   10.974   19.081   7.1287   16.509   7.8974   30.398   16.565   47.653   12.183   63.645   18.257 -15.99195 21.94830 
1 1 1   17   18   13 o   40.193   10.777   4.0283   6.4435   0.9816   7.0398   19.763   15.998   27.021   11.352   53.365   18.323 -26.34371 21.55428 
1 1 1   17   18   14 o   65.220   9.3667   25.028   5.9386   22.750   6.3754   39.959   16.325   57.472   8.1860   72.968   16.850 -15.49659 18.73330 
1 1 1   17   18   15 o   94.263   7.4957   52.407   6.8822   48.746   7.3778   76.940   19.099   84.372   6.4528  104.154   13.532 -19.78207 14.99141 
1 1 1   17   18   16 o   54.610   9.7761   24.612   5.9106   26.482   6.3561   12.656   16.072   62.050   7.5590   47.169   18.032 14.88085 19.55211 
1 1 1   17   18   17 o   54.535   9.4448   26.749   5.9307   29.849   6.3924   7.5842   15.895   65.910   7.1569   43.160   17.481 22.75056 18.88951 
1 1 1   17   18   18 o   36.385   9.2402   8.8080   5.2611   10.820   5.6607  -3.9499   14.255   38.709   10.518   34.061   15.196 4.648586 18.48049 
1 1 1   17   18   19 o   40.844   9.7049   11.690   5.3618   12.799   5.7615   4.5190   14.651   42.003   10.219   39.684   16.502 2.319279 19.40988 
1 1 1   17   18   20 o   56.138   9.5989   26.214   5.8389   28.106   6.3204   15.199   15.251   63.880   7.3012   48.396   17.755 15.48492 19.19770 
1 1 1   17   18   21 f   49.051   10.251   13.086   5.3694   11.142   5.7460   26.473   15.080   39.182   10.576   58.920   17.565 -19.73737 20.50261 
1 1 1   17   18   22 o   94.504   7.0161   53.290   6.8498   48.884   7.4334   78.089   17.636   84.341   6.5037  104.667   12.434 -20.32571 14.03224 
1 1 1   17   18   23 o   73.606   8.5498   36.207   6.2192   34.731   6.7857   43.957   15.548   70.978   7.0549   76.234   15.576 -5.256454 17.09950 
1 1 1   17   18   24 o   72.248   8.8685   33.268   6.1686   31.228   6.6591   45.606   16.377   67.233   7.3089   77.263   16.161 -10.03046 17.73693 
1 1 1   17   18   25 o  109.320   7.5939   87.473   8.9881   89.688   10.142   79.363   19.404  114.113   6.5584  104.527   13.699 9.586319 15.18781 
1 1 1   17   18   26 o   75.715   8.9923   40.315   7.1827   39.210   8.0136   44.828   16.199   75.143   7.8697   76.286   16.171 -1.143318 17.98459 
1 1 1   17   18   27 o   35.137   8.4474   8.4382   5.7010   13.691   6.2600 -17.0959   13.802   43.099   10.753   27.175   13.031 15.92380 16.89470 
1 1 1   17   18   28 o   45.153   10.224   14.549   6.0520   14.739   6.6638   13.658   14.459   44.606   11.075   45.700   17.188 -1.093376 20.44755 
1 1 1   17   18   29 o   40.978   8.9134   13.831   5.8987   17.902   6.5077  -4.9166   13.965   49.458   10.052   32.498   14.722 16.96016 17.82684 
1 1 1   17   18   30 o   86.382   7.5305   43.332   7.3812   36.275   8.1845   74.081   17.084   71.951   8.3941  100.814   12.505 -28.86292 15.06092 
1 1 1   17   18   31 o   55.903   9.9613   24.267   6.4223   24.909   7.0827   21.296   15.231   59.476   8.7876   52.330   17.880 7.146095 19.92258 
1 1 1   17   18   32 o   54.335   10.173   21.613   6.2953   21.032   6.9254   24.375   15.105   53.601   9.8988   55.068   17.776 -1.466225 20.34664 
1 1 1   17   18   33 o   75.673   9.1732   40.421   7.2723   38.772   8.0781   47.474   16.703   74.326   8.0202   77.020   16.500 -2.693398 18.34638 
1 1 1   17   18   34 o  106.215   7.3876   77.392   8.7521   74.488   9.8312   88.484   19.214  103.382   7.0175  109.049   13.002 -5.666962 14.77518 
1 1 1   17   19    0 o   75.460   7.1011   39.302   7.2042   37.239   9.5114   42.079   11.034   73.244   9.5827   77.676   10.482 -4.431908 14.20225 
1 1 1   17   19    1 o   70.091   7.5664   35.452   6.7998   38.440   8.8978   31.256   10.543   74.544   8.8082   65.637   12.305 8.906693 15.13280 
1 1 1   17   19    2 o   75.174   7.0137   39.196   6.9991   38.694   9.0129   39.958   11.109   74.764   8.8959   75.585   10.846 -0.8214569 14.02742 
1 1 1   17   19    3 f   70.482   7.7297   36.597   6.8510   41.337   8.8793   29.624   10.769   77.338   8.4723   63.627   12.931 13.71132 15.45940 
1 1 1   17   19    4 o   48.800   9.5204   17.094   6.4006   15.234   8.2280   19.944   10.186   45.677   12.787   51.922   14.108 -6.245171 19.04070 
1 1 1   17   19    5 o   47.067   8.9387   13.308   6.2863   4.6406   7.8958   28.313   10.389   31.956   12.524   62.177   12.757 -30.22147 17.87743 
1 1 1   17   19    6 o   55.133   8.7961   22.742   6.3662   25.129   7.9961   18.610   10.521   60.050   9.8261   50.216   14.592 9.833523 17.59225 
1 1 1   17   19    7 o   81.883   6.7006   47.438   7.1855   50.140   9.2278   43.275   11.452   85.207   7.9917   78.559   10.758 6.647636 13.40122 
1 1 1   17   19    8 o   96.755   9.0266   74.551   9.0873   80.957   10.444   54.576   18.440  108.466   7.1051   85.043   16.596 23.42326 18.05316 
1 1 1   17   19    9 o  106.531   7.5594   83.976   8.0171   86.317   8.8363   73.075   19.066  112.271   5.8079  100.791   13.959 11.47990 15.11878 
1 1 1   17   19   10 o   97.387   8.6033   75.457   7.6946   79.308   8.4681   57.217   18.429  107.602   5.8074   87.172   16.197 20.43046 17.20661 
1 1 1   17   19   11 o  103.046   7.6093   76.267   7.8810   77.109   8.6665   72.242   18.945  106.037   6.0312  100.054   13.972 5.983688 15.21859 
1 1 1   17   19   12 o  133.624   6.9328  134.140   9.4572  139.800   10.532  110.576   21.490  142.918   5.4380  124.329   12.755 18.58922 13.86562 
1 1 1   17   19   13 o  116.596   7.2573  101.709   8.4458  105.168   9.3321   86.050   19.857  123.911   5.5576  109.281   13.408 14.63029 14.51460 
1 1 1   17   19   14 o   69.516   9.4731   37.440   6.4453   38.468   7.0585   32.282   15.809   74.691   6.9737   64.340   17.616 10.35030 18.94618 
1 1 1   17   19   15 o   69.276   9.8050   42.606   6.5766   46.073   7.1831   24.636   16.352   81.819   6.4785   56.734   18.509 25.08551 19.61000 
1 1 1   17   19   16 o   73.896   9.4076   39.538   6.5508   39.279   7.1024   41.017   16.954   75.435   6.9478   72.357   17.485 3.078423 18.81525 
1 1 1   17   19   17 o   44.051   10.673   10.907   6.2017   8.9399   6.8218   20.276   14.888   35.953   11.966   52.149   17.678 -16.19611 21.34685 
1 1 1   17   19   18 o   74.502   9.9658   52.715   7.8627   61.351   8.9282   22.873   16.596   94.205   6.9937   54.800   18.664 39.40528 19.93166 
1 1 1   17   19   19 o  116.044   7.3363   97.630   9.5100   99.519   10.834   91.289   19.849  120.055   6.6596  112.033   13.074 8.021942 14.67269 
1 1 1   17   19   20 o   79.820   9.6978   45.065   9.7034   40.516   11.755   54.794   17.190   75.129   11.546   84.511   15.584 -9.381546 19.39551 
1 1 1   17   19   21 o  109.116   8.0546   84.108   11.313   81.072   13.883   90.109   19.516  107.145   9.5617  111.086   12.965 -3.941612 16.10915 
1 1 1   17   19   22 o  113.092   7.8749   91.574   11.398   91.098   14.010   92.506   19.601  113.719   9.0915  112.466   12.861 1.252373 15.74977 
1 1 1   17   19   23 o   73.184   10.193   38.289   9.1130   33.724   10.847   49.239   16.800   67.185   12.370   79.183   16.203 -11.99738 20.38502 
1 1 1   17   19   24 o   43.108   10.869   12.926   7.4106   13.198   8.5833   12.128   14.687   42.144   13.379   44.071   17.134 -1.927433 21.73819 
1 1 1   17   19   25 o   40.689   10.407   11.636   7.2498   13.986   8.4456   5.0564   14.133   43.093   13.210   38.285   16.084 4.808781 20.81383 
1 1 1   17   19   26 o   68.794   10.057   35.377   8.5377   34.013   10.192   38.584   15.632   68.588   10.966   69.000   16.861 -0.4127197 20.11300 
1 1 1   17   19   27 o   38.908   10.249   10.160   7.1101   12.482   8.3043   3.7846   13.761   40.929   13.177   36.886   15.701 4.042931 20.49796 
1 1 1   17   19   28 o   35.622   13.084   8.2883   8.2851   8.2883   8.2851   0.0000   0.0000   35.622   13.084  ?   ?       ?      ? 
1 1 1   17   19   29 o   37.372   13.296   9.7096   8.4717   9.7096   8.4717   0.0000   0.0000   37.372   13.296  ?   ?       ?      ? 
1 1 1   17   20    0 o   60.052   8.4534   26.366   6.5507   25.270   8.5137   27.957   10.256   58.806   11.090   61.298   12.761 -2.492062 16.90680 
1 1 1   17   20    1 o   31.289   8.9547   3.8019   5.7755   4.4724   7.2770   2.6607   9.4934   30.703   12.026   31.875   13.271 -1.171352 17.90945 
1 1 1   17   20    2 o   49.182   9.1617   16.400   6.2596   10.243   7.8755   26.963   10.315   38.345   12.858   60.019   13.054 -21.67358 18.32334 
1 1 1   17   20    3 o   43.182   9.0326   11.192   6.1249   3.5327   7.7874   23.613   9.9176   30.359   12.257   56.005   13.271 -25.64585 18.06527 
1 1 1   17   20    4 o   57.652   13.730   25.165   10.573   0.0000   0.0000   25.165   10.573  ?   ?    57.652   13.730      ?      ? 
1 1 1   17   20    5 o   47.177   14.619   16.660   10.312   0.0000   0.0000   16.660   10.312  ?   ?    47.177   14.619      ?      ? 
1 1 1   17   20    6 o   45.837   14.748   15.554   10.404   0.0000   0.0000   15.554   10.404  ?   ?    45.837   14.748      ?      ? 
1 1 1   17   20    7 o   65.062   8.6280   31.129   7.4068   32.173   10.050   29.888   10.958   67.114   11.051   63.010   13.254 4.103870 17.25608 
1 1 1   17   20    8 o   84.738   9.8999   61.445   8.2753   66.868   9.3121   41.081   18.046   98.260   6.9934   71.215   18.524 27.04417 19.79982 
1 1 1   17   20    9 o   84.327   9.8482   61.305   8.1312   66.838   9.1365   40.231   17.831   98.255   6.8619   70.398   18.462 27.85691 19.69639 
1 1 1   17   20   10 o   65.925   9.8961   27.983   7.0858   24.540   7.8454   43.224   16.507   57.974   10.367   73.875   16.860 -15.90154 19.79227 
1 1 1   17   20   11 o   75.856   9.6436   42.149   7.5588   41.571   8.3890   44.641   17.427   77.134   8.0257   74.578   17.538 2.556091 19.28722 
1 1 1   17   20   12 o   27.049   8.7301  -1.9051   5.7183  -0.3408   6.2709  -9.6256   13.931   24.001   10.411   30.096   14.017 -6.095320 17.46028 
1 1 1   17   20   13 o   47.599   9.9536   18.624   6.5651   20.953   7.3224   9.0752   14.824   53.327   10.506   41.872   16.909 11.45524 19.90717 
1 1 1   17   20   14 o   43.789   10.694   10.230   6.3793   7.2837   7.0676   23.185   14.820   33.592   12.123   53.985   17.621 -20.39378 21.38819 
1 1 1   17   20   15 o   32.927   9.2485   5.5687   5.9986   8.5956   6.6483  -7.6857   13.912   35.034   11.814   30.819   14.233 4.214165 18.49699 
1 1 1   17   20   16 o   56.375   9.7143   28.796   6.9343   32.906   7.7386   12.047   15.620   68.388   8.3503   44.361   17.543 24.02630 19.42862 
1 1 1   17   20   17 o   93.881   7.6503   60.738   8.1914   58.293   9.2799   69.367   17.431   91.313   7.4994   96.448   13.337 -5.134682 15.30062 
1 1 1   17   20   18 o   34.676   9.3889   7.3858   6.0520   10.329   6.6814  -6.0655   14.283   37.473   11.793   31.880   14.612 5.592987 18.77777 
1 1 1   17   20   19 o   67.187   8.6648   31.953   7.8891   31.953   7.8891   0.0000   0.0000   67.187   8.6648  ?   ?       ?      ? 
1 1 1   17   20   20 f   51.181   10.793   19.608   7.2501   19.608   7.2501   0.0000   0.0000   51.181   10.793  ?   ?       ?      ? 
1 1 1   17   20   21 o   73.528   8.0928   38.133   8.0637   38.133   8.0637   0.0000   0.0000   73.528   8.0928  ?   ?       ?      ? 
1 1 1   17   20   22 o   22.080   9.8809  -1.9131   6.0767  -1.9131   6.0767   0.0000   0.0000   22.080   9.8809  ?   ?       ?      ? 
1 1 1   17   20   23 o   26.845   11.013   2.5091   6.4076   2.5091   6.4076   0.0000   0.0000   26.845   11.013  ?   ?       ?      ? 
1 1 1   17   21    0 o   33.737   10.208   2.3632   7.3677   1.5925   8.5367   4.6137   14.587   29.235   12.403   38.239   16.217 -9.004509 20.41644 
1 1 1   17   21    1 o   41.245   9.8714   12.308   7.7876   19.807   9.1029  -8.1645   15.040   50.672   13.144   31.818   14.731 18.85448 19.74271 
1 1 1   17   21    2 o   57.847   10.927   24.137   8.5273   17.293   10.458   37.711   14.729   47.214   14.738   68.479   16.136 -21.26499 21.85382 
1 1 1   17   21    3 o   54.845   10.162   23.671   7.6441   24.251   10.637   23.052   10.992   55.651   14.091   54.038   14.645 1.612961 20.32317 
1 1 1   17   21    4 o   48.569   10.478   18.432   7.5559   16.306   10.586   20.640   10.788   45.994   14.885   51.144   14.752 -5.149872 20.95634 
1 1 1   17   21    5 o   68.027   8.9711   35.819   7.9411   54.625   11.495   18.647   10.984   87.348   9.7109   48.705   15.087 38.64265 17.94228 
1 1 1   17   21    6 o   35.719   9.8406   7.3073   6.8476   7.8480   9.1830   6.6300   10.277   35.828   13.646   35.609   14.183 0.2188339 19.68129 
1 1 1   17   21    7 o   68.715   11.007   32.278   9.4041   23.116   11.063   56.142   17.855   53.929   14.724   83.500   16.365 -29.57116 22.01366 
1 1 1   17   21    8 o   41.724   10.201   12.946   6.2434   14.028   6.8398   7.5381   15.287   42.986   11.512   40.462   16.843 2.523479 20.40147 
1 1 1   17   21    9 o   72.223   8.1106   36.816   7.9381   36.816   7.9381   0.0000   0.0000   72.223   8.1106  ?   ?       ?      ? 
1 1 1   17   21   10 o   28.012   11.193   3.5209   6.4216   3.5209   6.4216   0.0000   0.0000   28.012   11.193  ?   ?       ?      ? 
1 1 1   17   21   11 o   41.635   14.894   12.630   10.644   12.630   10.644   0.0000   0.0000   41.635   14.894  ?   ?       ?      ? 
1 1 1   17   21   12 o   80.673   11.998   48.299   13.117   48.299   13.117   0.0000   0.0000   80.673   11.998  ?   ?       ?      ? 
1 1 1   17   21   13 o   47.885   15.242   18.267   11.135   18.267   11.135   0.0000   0.0000   47.885   15.242  ?   ?       ?      ? 
1 1 1   17   21   14 o   72.130   13.587   40.539   12.794   40.539   12.794   0.0000   0.0000   72.130   13.587  ?   ?       ?      ? 
1 1 1   17   21   15 o   67.633   8.6629   32.606   7.9397   32.606   7.9397   0.0000   0.0000   67.633   8.6629  ?   ?       ?      ? 
1 1 1   17   21   16 o   23.883   10.419  -0.3288   6.3537  -0.3288   6.3537   0.0000   0.0000   23.883   10.419  ?   ?       ?      ? 
1 1 1   17   21   17 o   32.420   11.902   6.8603   6.8549   6.8603   6.8549   0.0000   0.0000   32.420   11.902  ?   ?       ?      ? 
1 1 1   17   22    0 o   34.435   9.9160   0.6826   7.4525  -6.7595   9.1605   15.249   12.816   24.220   11.309   44.650   16.292 -20.43028 19.83195 
1 1 1   17   22    1 o   31.201   9.5304  -1.5318   7.2698  -7.0777   9.0210   8.7419   12.278   23.822   11.155   38.580   15.456 -14.75821 19.06085 
1 1 1   17   22    2 o   66.720   9.7875   30.809   8.8117   15.530   10.893   59.735   14.988   44.466   15.121   88.973   12.431 -44.50708 19.57499 
1 1 1   17   22    3 o   48.743   11.375   17.556   8.3891   12.953   10.240   26.952   14.630   41.447   14.631   56.038   17.421 -14.59079 22.75023 
1 1 1   17   22    4 o   46.751   10.777   18.304   8.3715   23.285   10.178   7.8874   14.719   53.901   13.857   39.602   16.510 14.29910 21.55464 
1 1 1   17   22    5 o   46.041   11.365   16.452   8.3047   15.695   10.010   18.125   14.874   44.507   14.480   47.575   17.522 -3.068115 22.73084 
1 1 1   17   22    6 o   55.685   14.004   24.953   10.557   24.953   10.557   0.0000   0.0000   55.685   14.004  ?   ?       ?      ? 
1 1 1   17   22    7 o   73.100   11.366   39.785   11.259   39.785   11.259   0.0000   0.0000   73.100   11.366  ?   ?       ?      ? 
1 1 1   17   22    8 o   44.421   14.228   15.695   9.6907   15.695   9.6907   0.0000   0.0000   44.421   14.228  ?   ?       ?      ? 
1 1 1   17   22    9 o   22.041   10.418  -7.7390   8.1993  -7.7390   8.1993   0.0000   0.0000   22.041   10.418  ?   ?       ?      ? 
1 1 1   17   22   10 o   36.136   13.563   8.8206   8.9943   8.8206   8.9943   0.0000   0.0000   36.136   13.563  ?   ?       ?      ? 
1 1 1   17   22   11 f   39.591   11.796   12.097   6.8033   12.097   6.8033   0.0000   0.0000   39.591   11.796  ?   ?       ?      ? 
1 1 1   17   23    0 o   65.215   11.226   36.664   9.8059   38.207   13.114   34.707   14.768   67.873   14.685   62.557   16.984 5.315899 22.45214 
1 1 1   17   23    1 o   36.714   10.642   7.4599   8.6328   11.125   11.408   2.5481   13.206   39.297   15.149   34.131   14.951 5.165913 21.28471 
1 1 1   17   23    2 o   37.952   10.354   8.0705   8.5485   17.728   11.337  -4.6571   13.015   45.936   15.427   29.967   13.814 15.96931 20.70778 
1 1 1   17   23    3 o   38.806   10.849   8.9255   8.6299   2.9409   11.458   16.772   13.119   32.684   14.125   44.927   16.470 -12.24316 21.69749 
1 1 1   17   23    4 o   31.894   13.732   2.8756   10.746   2.8756   10.746   0.0000   0.0000   31.894   13.732  ?   ?       ?      ? 
1 1 1   18    0    0 o  721.096   11.977  3528.25  116.967  3528.25  116.967   0.0000   0.0000  721.096   11.977  721.096   11.977 -0.000000 0.000000 
1 1 1   18    0    1 o  756.223   12.515  3880.57  128.174  3880.57  128.174   0.0000   0.0000  756.223   12.515  756.223   12.515 -0.000000 0.000000 
1 1 1   18    0    3 o  1091.37   17.338  8086.92  256.269  8086.92  256.269   0.0000   0.0000  1091.37   17.338  1091.37   17.338 -0.000000 0.000000 
1 1 1   18    0    5 o  942.373   15.160  6027.99  193.488  6027.99  193.488   0.0000   0.0000  942.373   15.160  942.373   15.160 -0.000000 0.000000 
1 1 1   18    0    6 o  593.138   10.255  2378.99   82.110  2229.17  111.427  2557.02  121.464  572.777   14.376  613.499   14.629 -0.000000 0.000000 
1 1 1   18    0    7 o  270.667   6.4081  498.297   23.439  500.786   32.829  495.709   33.475  271.372   8.9492  269.963   9.1742 -0.000000 0.000000 
1 1 1   18    0    8 o  884.900   14.349  5323.03  171.845  5251.87  240.656  5397.07  245.466  878.867   20.231  890.933   20.355 -0.000000 0.000000 
1 1 1   18    0    9 o  847.073   13.800  4877.85  158.212  4835.18  222.132  4921.79  225.395  843.315   19.461  850.830   19.572 -0.000000 0.000000 
1 1 1   18    0   10 o  1095.70   17.458  8155.74  258.638  7836.80  355.753  8513.31  376.681  1073.02   24.494  1118.37   24.882 -0.000000 0.000000 
1 1 1   18    0   11 o  286.995   6.5522  556.500   25.340  508.519   34.304  614.130   37.595  273.422   9.2824  300.568   9.2499 -0.000000 0.000000 
1 1 1   18    0   12 o  435.640   8.1829  1287.96   48.197  1353.88   69.467  1226.78   66.927  446.405   11.500  424.875   11.644 -0.000000 0.000000 
1 1 1   18    0   13 o  515.174   9.1849  1801.81   63.998  1753.80   88.795  1853.71   92.322  508.033   12.917  522.315   13.062 -0.000000 0.000000 
1 1 1   18    0   14 o  241.111   6.1803  394.667   20.105  377.684   27.561  413.983   29.394  235.568   8.6603  246.653   8.8195 -0.000000 0.000000 
1 1 1   18    0   15 o  1206.54   19.132  9888.43  311.849  9382.50  425.189 10477.43  458.765  1173.28   26.774  1239.80   27.336 -0.000000 0.000000 
1 1 1   18    0   16 o  344.519   7.1291  803.062   33.139  750.391   45.031  865.287   48.945  332.229   10.023  356.810   10.141 -0.000000 0.000000 
1 1 1   18    0   17 o  325.301   6.9120  719.546   30.400  726.990   42.653  711.859   43.340  327.030   9.6434  323.571   9.9050 -0.000000 0.000000 
1 1 1   18    0   19 o  330.932   6.9632  743.467   31.137  720.391   42.936  769.065   45.221  325.520   9.7530  336.345   9.9410 -0.000000 0.000000 
1 1 1   18    0   20 o  318.978   6.8389  691.665   29.489  687.456   41.069  696.145   42.368  317.988   9.5501  319.969   9.7919 -0.000000 0.000000 
1 1 1   18    0   21 o  557.986   9.7465  2114.35   73.548  2054.20  101.784  2180.08  106.395  549.688   13.683  566.283   13.883 -0.000000 0.000000 
1 1 1   18    0   22 o  205.965   5.9165  287.259   16.401  264.404   22.194  314.753   24.342  196.953   8.3496  214.977   8.3848 -0.000000 0.000000 
1 1 1   18    0   23 o  240.277   6.1487  392.926   19.942  391.627   27.582  394.348   28.866  239.883   8.5092  240.671   8.8782 -0.000000 0.000000 
1 1 1   18    0   24 o  323.333   6.8941  710.976   30.123  747.047   42.857  675.755   42.348  331.484   9.5585  315.182   9.9374 -0.000000 0.000000 
1 1 1   18    0   25 o  730.930   12.143  3636.50  120.107  3592.70  168.068  3682.22  171.703  726.441   17.094  735.419   17.250 -0.000000 0.000000 
1 1 1   18    0   26 o  390.621   10.907  1037.69   57.635   0.0000   0.0000  1037.69   57.635  390.621   10.907  390.621   10.907 -0.000000 0.000000 
1 1 1   18    0   27 o  388.417   10.910  1026.15   57.323   0.0000   0.0000  1026.15   57.323  388.417   10.910  388.417   10.910 -0.000000 0.000000 
1 1 1   18    0   28 o  220.406   8.7569  331.045   26.061   0.0000   0.0000  331.045   26.061  220.406   8.7569  220.406   8.7569 -0.000000 0.000000 
1 1 1   18    0   29 o  151.226   5.7976  155.884   11.756  150.239   15.836  162.816   17.548  148.207   7.9367  154.245   8.4534 -0.000000 0.000000 
1 1 1   18    0   30 o  134.636   5.8516  125.069   10.513  133.831   14.446  115.205   15.328  139.850   7.6756  129.421   8.8345 -0.000000 0.000000 
1 1 1   18    0   31 o  157.773   5.8740  171.433   12.375  192.481   17.307  149.417   17.700  167.946   7.6404  147.600   8.9241 -0.000000 0.000000 
1 1 1   18    0   32 o  152.661   5.8469  158.541   11.977  147.419   16.179  172.024   17.814  146.735   8.1952  158.587   8.3418 -0.000000 0.000000 
1 1 1   18    0   33 o  392.044   7.6908  1046.26   40.781  1056.16   57.336  1036.12   58.016  393.944   10.758  390.143   10.993 -0.000000 0.000000 
1 1 1   18    0   34 o  457.474   11.909  1424.90   73.713  1424.90   73.713   0.0000   0.0000  457.474   11.909  457.474   11.909 -0.000000 0.000000 
1 1 1   18    0   35 o  211.948   8.3615  306.242   23.931  306.242   23.931   0.0000   0.0000  211.948   8.3615  211.948   8.3615 -0.000000 0.000000 
1 1 1   18    0   36 o  499.604   9.0391  1700.73   61.102  1728.61   86.537  1673.01   86.287  503.715   12.696  495.495   12.870 -0.000000 0.000000 
1 1 1   18    0   37 o  550.157   9.7018  2063.74   72.226  2069.81  101.775  2057.58  102.515  550.992   13.649  549.323   13.791 -0.000000 0.000000 
1 1 1   18    0   38 o   68.070   8.1350   34.065   6.8188   34.233   9.2287   33.863   10.119   68.632   10.697   67.509   12.259 -0.000000 0.000000 
1 1 1   18    0   39 o  208.376   6.0371  296.196   16.969  295.159   23.519  297.322   24.508  208.021   8.3739  208.731   8.6986 -0.000000 0.000000 
1 1 1   18    0   40 o  231.165   6.1903  364.393   19.321  364.573   26.948  364.204   27.715  231.245   8.6266  231.085   8.8803 -0.000000 0.000000 
1 1 1   18    0   41 o   55.352   10.317   24.794   6.6648   25.421   9.0214   24.040   9.8890   56.964   13.458   53.740   15.642 -0.000000 0.000000 
1 1 1   18    0   42 f  158.613   6.0290  172.473   12.858  176.689   17.904  167.983   18.476  160.683   8.2726  156.542   8.7726 -0.000000 0.000000 
1 1 1   18    0   43 o  232.938   6.2704  370.130   19.724  368.613   27.585  371.716   28.213  232.463   8.7852  233.414   8.9494 -0.000000 0.000000 
1 1 1   18    0   44 o  125.338   6.3606  108.854   10.596  122.610   14.965   95.026   15.004  133.592   8.3407  117.084   9.6053 -0.000000 0.000000 
1 1 1   18    0   46 o  375.605   7.6262  962.067   38.736  950.944   54.092  973.776   55.497  373.389   10.710  377.821   10.860 -0.000000 0.000000 
1 1 1   18    0   47 o  178.785   8.8946  218.830   21.428   0.0000   0.0000  218.830   21.428  178.785   8.8946  178.785   8.8946 -0.000000 0.000000 
1 1 1   18    0   48 o  149.788   9.2048  154.243   18.523   0.0000   0.0000  154.243   18.523  149.788   9.2048  149.788   9.2048 -0.000000 0.000000 
1 1 1   18    0   49 o  437.319   8.3951  1306.11   49.661  1299.13   69.558  1313.38   70.925  436.148   11.788  438.489   11.956 -0.000000 0.000000 
1 1 1   18    0   51 o  210.733   6.3649  303.638   18.099  303.780   25.420  303.491   25.776  210.797   8.9354  210.668   9.0669 -0.000000 0.000000 
1 1 1   18    0   53 o  148.833   8.8829  152.283   17.770  152.283   17.770   0.0000   0.0000  148.833   8.8829  148.833   8.8829 -0.000000 0.000000 
1 1 1   18    0   54 o  343.725   10.338  807.374   48.057  807.374   48.057   0.0000   0.0000  343.725   10.338  343.725   10.338 -0.000000 0.000000 
1 1 1   18    0   55 o  116.563   6.9308   94.010   10.731   88.945   14.449  100.241   16.025  113.074   9.5883  120.053   10.010 -0.000000 0.000000 
1 1 1   18    0   56 o  112.730   6.9990   88.739   10.470   90.502   14.370   86.743   15.286  114.097   9.4427  111.363   10.333 -0.000000 0.000000 
1 1 1   18    0   57 o   54.974   11.780   25.557   7.7593   20.541   10.505   31.579   11.511   47.112   17.637   62.836   15.621 -0.000000 0.000000 
1 1 1   18    0   58 o  171.747   6.3995  202.992   14.783  207.965   20.597  197.709   21.229  174.007   8.7860  169.486   9.3071 -0.000000 0.000000 
1 1 1   18    0   59 o   41.875   12.152   16.369   7.6150   8.8060   10.450   24.932   11.120   30.426   16.987   53.324   17.381 -0.000000 0.000000 
1 1 1   18    0   61 o   77.704   9.4469   45.261   8.9697   48.179   12.334   41.985   13.068   81.274   11.958   74.134   14.628 -0.000000 0.000000 
1 1 1   18    0   62 o  350.428   7.5710  845.849   35.872  850.275   50.406  841.307   51.063  351.413   10.607  349.444   10.807 -0.000000 0.000000 
1 1 1   18    0   63 o   17.460   8.5129  -6.8587   6.6583  -7.8082   9.0258  -5.7252   9.8621   16.454   11.439   18.466   12.611 -0.000000 0.000000 
1 1 1   18    0   64 o  129.535   9.9947  117.351   17.304   0.0000   0.0000  117.351   17.304  129.535   9.9947  129.535   9.9947 -0.000000 0.000000 
1 1 1   18    0   65 o  115.627   7.2598   94.169   11.154   93.050   15.344   95.423   16.242  114.989   10.022  116.266   10.506 -0.000000 0.000000 
1 1 1   18    0   66 o   27.650   10.305   2.8679   7.0339   15.373   9.4007 -13.0381   10.602   38.994   17.068   16.306   11.552 -0.000000 0.000000 
1 1 1   18    0   67 o   37.101   12.169   14.370   7.4117   18.967   9.8314   8.3175   11.281   44.405   17.191   29.798   17.228 -0.000000 0.000000 
1 1 1   18    0   68 o   51.734   12.219   23.718   8.0179   16.213   10.539   34.030   12.354   39.385   18.064   64.084   16.458 -0.000000 0.000000 
1 1 1   18    0   69 o   53.008   16.970   25.133   10.748   25.133   10.748   0.0000   0.0000   53.008   16.970   53.008   16.970 -0.000000 0.000000 
1 1 1   18    0   70 o   81.396   9.5605   50.401   9.5221   51.085   12.639   49.503   14.481   82.993   11.959   79.800   14.919 -0.000000 0.000000 
1 1 1   18    0   71 o   58.534   12.112   29.413   8.4096   23.255   11.076   37.793   12.922   49.282   17.996   67.786   16.215 -0.000000 0.000000 
1 1 1   18    0   72 o   74.055   10.366   42.936   9.1978   40.543   12.277   45.998   13.886   71.840   14.183   76.270   15.120 -0.000000 0.000000 
1 1 1   18    0   73 o   14.085   7.1692 -15.1363   6.4942 -18.5325   8.7785 -11.0307   9.6518   12.478   9.0783   15.692   11.098 -0.000000 0.000000 
1 1 1   18    0   74 o   27.203   11.539   6.5228   7.5860   6.1279   10.152   7.0219   11.415   26.430   15.841   27.976   16.782 -0.000000 0.000000 
1 1 1   18    0   75 o   37.442   12.416   15.126   7.7589   20.941   10.688   8.6476   11.282   45.554   17.997   29.329   17.110 -0.000000 0.000000 
1 1 1   18    0   76 o   84.964   10.061   55.310   10.135   41.146   13.544   73.334   15.278   70.351   16.333   99.576   11.752 -0.000000 0.000000 
1 1 1   18    0   77 o  136.147   7.4267  133.804   13.461  143.419   18.842  123.781   19.238  141.660   9.9269  130.635   11.049 -0.000000 0.000000 
1 1 1   18    0   78 o   39.821   18.822   17.918   11.497   0.0000   0.0000   17.918   11.497   39.821   18.822   39.821   18.822 -0.000000 0.000000 
1 1 1   18    0   79 o   62.036   18.058   34.982   13.179   0.0000   0.0000   34.982   13.179   62.036   18.058   62.036   18.058 -0.000000 0.000000 
1 1 1   18    0   80 o   20.258   9.6840  -3.8724   7.8417   0.7597   11.328  -8.1345   10.866   22.673   14.846   17.844   12.438 -0.000000 0.000000 
1 1 1   18    0   81 o  100.502   9.2919   78.027   11.749   92.524   16.879   64.403   16.364  111.249   11.476   89.756   14.617 -0.000000 0.000000 
1 1 1   18    0   82 o   36.405   13.746   16.802   9.2474   17.163   13.022   16.435   13.134   36.821   19.480   35.989   19.400 -0.000000 0.000000 
1 1 1   18    0   83 o   29.549   17.651   10.152   12.521   10.152   12.521   0.0000   0.0000   29.549   17.651   29.549   17.651 -0.000000 0.000000 
1 1 1   18    0   84 f   28.177   12.229   8.7495   9.0522   6.7133   12.966   10.686   12.643   26.706   16.853   29.649   17.724 -0.000000 0.000000 
1 1 1   18    1    0 o  656.021   7.8234  2917.91   69.534  2972.16   99.613  2866.35   97.108  661.963   11.105  650.078   11.023 11.88501 15.64673 
1 1 1   18    1    2 o  930.372   10.585  5874.62  133.434  5777.42  186.838  5975.81  190.628  922.522   14.945  938.222   14.993 -15.70007 21.16990 
1 1 1   18    1    3 o  1026.52   11.582  7156.32  161.110  7131.99  227.512  7180.79  228.177  1024.77   16.383  1028.27   16.375 -3.500732 23.16342 
1 1 1   18    1    4 o  584.606   8.2489  2298.47   56.297  2357.82  114.174  2279.40   64.710  589.377   14.295  579.836   8.2353 9.540344 16.49775 
1 1 1   18    1    5 o  389.470   6.2050  1017.45   28.206  1050.23   57.315  1006.97   32.402  393.499   10.748  385.441   6.2034 8.058685 12.40996 
1 1 1   18    1    6 o  1134.06   14.731  8822.86  197.398  8594.69  387.891  8902.60  229.313  1122.98   25.489  1145.13   14.777 -22.15149 29.46285 
1 1 1   18    1    7 o  902.891   11.929  5583.23  127.126  5445.81  250.348  5630.98  147.568  894.756   20.647  911.025   11.953 -16.26825 23.85737 
1 1 1   18    1    8 o  419.674   5.6469  1193.66   32.109  1166.31   44.930  1222.21   45.903  414.763   7.9938  424.586   7.9780 -9.823517 11.29379 
1 1 1   18    1    9 o  461.778   6.0100  1445.23   37.601  1411.31   52.549  1480.83   53.826  456.227   8.4996  467.329   8.4993 -11.10184 12.02006 
1 1 1   18    1   10 o  1045.98   11.811  7432.73  167.399  7531.12  238.690  7337.49  234.832  1052.79   16.731  1039.18   16.676 13.61304 23.62182 
1 1 1   18    1   11 o  892.346   10.207  5399.95  123.343  5600.42  178.608  5217.19  170.538  908.147   14.513  876.545   14.357 31.60162 20.41458 
1 1 1   18    1   12 o  1080.19   14.920  7994.60  206.947  7784.18  352.169  8105.58  255.765  1068.41   24.324  1091.97   17.284 -23.56250 29.83935 
1 1 1   18    1   13 o  504.174   12.756  1725.49   87.155  1725.49   87.155   0.0000   0.0000  504.174   12.756  ?   ?       ?      ? 
1 1 1   18    1   14 o  644.964   9.4536  2832.86   78.060  2798.79  134.204  2850.28   95.963  641.799   15.431  648.129   10.926 -6.330078 18.90720 
1 1 1   18    1   15 o  363.768   6.3377  904.064   29.532  877.148   50.482  918.068   36.413  359.561   10.361  367.975   7.3023 -8.413971 12.67537 
1 1 1   18    1   16 o  499.149   6.3360  1689.90   42.857  1680.42   60.494  1699.44   60.726  497.744   8.9686  500.554   8.9524 -2.809814 12.67206 
1 1 1   18    1   17 o  873.820   10.017  5179.68  118.519  4985.95  163.638  5393.44  171.889  856.672   14.096  890.968   14.237 -34.29529 20.03415 
1 1 1   18    1   18 o  432.133   5.7460  1265.90   33.641  1295.24   48.176  1237.98   46.998  437.017   8.1349  427.249   8.1173 9.768555 11.49207 
1 1 1   18    1   19 f  241.674   4.3309  395.875   14.182  405.176   20.207  386.848   19.908  244.472   6.0996  238.877   6.1501 5.594589 8.661883 
1 1 1   18    1   20 o  492.936   6.2767  1648.20   41.925  1628.61   58.923  1668.29   59.667  489.969   8.8743  495.902   8.8788 -5.933136 12.55333 
1 1 1   18    1   21 o  526.836   8.0738  1876.85   54.172  1907.41   94.779  1862.02   66.019  529.820   13.201  523.853   9.2998 5.966980 16.14766 
1 1 1   18    1   22 o  853.293   12.039  4954.63  131.094  4969.71  227.655  4947.15  160.347  853.540   19.682  853.046   13.871 0.4942017 24.07877 
1 1 1   18    1   23 o  681.273   9.8899  3115.01   85.239  3271.23  152.214  3043.64  102.883  693.129   16.205  669.418   11.341 23.71027 19.77980 
1 1 1   18    1   24 o  352.978   5.0861  844.504   24.320  817.323   33.905  873.308   34.903  347.131   7.2076  358.825   7.1779 -11.69357 10.17213 
1 1 1   18    1   25 o  243.375   4.3295  401.660   14.278  407.082   20.223  396.271   20.162  245.013   6.0909  241.736   6.1547 3.277283 8.659014 
1 1 1   18    1   26 o  250.838   4.3870  426.618   14.909  439.567   21.237  414.036   20.935  254.592   6.1556  247.084   6.2523 7.507813 8.773999 
1 1 1   18    1   27 o  584.635   7.1406  2321.31   56.565  2286.37   79.242  2357.62   80.770  580.152   10.079  589.117   10.117 -8.965149 14.28119 
1 1 1   18    1   28 o  788.378   9.1611  4228.53   97.848  4141.13  136.509  4320.89  140.326  780.015   12.914  796.742   12.997 -16.72699 18.32213 
1 1 1   18    1   29 o  109.155   4.2155   80.787   6.2329   77.500   8.7340   84.199   8.8976  106.892   6.0296  111.419   5.8929 -4.526772 8.431059 
1 1 1   18    1   30 o  543.289   8.2431  2008.75   57.304  2009.41   70.313  2007.44   98.890  543.802   9.5414  542.777   13.445 1.024719 16.48627 
1 1 1   18    1   31 o  543.752   9.5580  2009.46   70.429  2009.46   70.429   0.0000   0.0000  543.752   9.5580  ?   ?       ?      ? 
1 1 1   18    1   32 o  234.273   5.3930  368.189   15.872  360.991   19.056  384.498   28.683  230.666   6.0963  237.880   8.8979 -7.213837 10.78592 
1 1 1   18    1   33 o  149.628   4.0717  151.804   8.2537  147.605   11.520  156.233   11.831  147.503   5.7634  151.753   5.7530 -4.250137 8.143332 
1 1 1   18    1   34 o  516.058   6.5135  1809.70   45.539  1858.48   65.255  1763.40   63.582  522.833   9.2101  509.283   9.2129 13.55042 13.02700 
1 1 1   18    1   35 o  216.681   4.2584  318.409   12.500  307.955   17.440  329.452   17.925  213.025   6.0414  220.337   6.0032 -7.311829 8.516836 
1 1 1   18    1   36 f  312.537   6.8072  663.222   28.831  663.222   28.831   0.0000   0.0000  312.537   6.8072  ?   ?       ?      ? 
1 1 1   18    1   37 o  245.044   4.4081  407.609   14.638  411.762   20.724  403.474   20.677  246.292   6.2093  243.797   6.2587 2.494919 8.816282 
1 1 1   18    1   38 o  179.971   5.0536  221.355   11.708  215.704   19.830  224.380   14.507  178.123   8.2153  181.819   5.8877 -3.695770 10.10721 
1 1 1   18    1   39 o  249.852   5.4799  431.278   17.580  401.854   29.566  447.371   21.866  243.017   8.9779  256.688   6.2861 -13.67102 10.95982 
1 1 1   18    1   40 o  459.702   6.0325  1437.64   37.580  1433.08   52.980  1442.24   53.313  458.972   8.5180  460.431   8.5445 -1.458618 12.06506 
1 1 1   18    1   41 o  233.474   4.4002  369.335   13.902  343.254   19.193  398.116   20.162  224.817   6.2999  242.131   6.1448 -17.31400 8.800425 
1 1 1   18    1   42 o  228.926   4.3663  355.768   13.539  371.698   19.350  340.490   18.950  233.950   6.1033  223.901   6.2456 10.04869 8.732613 
1 1 1   18    1   43 o  239.072   4.4352  388.098   14.364  374.345   20.119  402.398   20.515  234.748   6.3243  243.395   6.2197 -8.647278 8.870314 
1 1 1   18    1   44 o  112.833   5.5126   85.454   7.9255   90.011   13.967   83.290   9.6252  114.947   8.9666  110.718   6.4152 4.228783 11.02515 
1 1 1   18    1   45 o  146.525   5.3531  146.350   9.9596  145.214   17.419  146.902   12.140  145.997   8.8041  147.052   6.0920 -1.054245 10.70627 
1 1 1   18    1   46 o  448.818   5.9828  1372.03   36.388  1382.54   51.617  1361.64   51.303  450.529   8.4546  447.107   8.4674 3.421204 11.96566 
1 1 1   18    1   47 o  495.243   6.4182  1670.69   43.053  1732.44   62.037  1613.32   59.796  504.060   9.0820  486.426   9.0714 17.63422 12.83642 
1 1 1   18    1   48 o  241.163   5.6423  393.125   17.230  387.885   20.860  404.372   30.562  238.866   6.4445  243.460   9.2635 -4.594086 11.28463 
1 1 1   18    1   49 o  599.169   9.0700  2450.16   69.166  2511.84  121.273  2420.43   84.204  603.356   14.832  594.983   10.443 8.373291 18.14004 
1 1 1   18    1   50 o  413.081   8.0913  1162.75   45.294  1162.75   45.294   0.0000   0.0000  413.081   8.0913  ?   ?       ?      ? 
1 1 1   18    1   51 o  370.336   7.5858  934.152   38.070  934.152   38.070   0.0000   0.0000  370.336   7.5858  ?   ?       ?      ? 
1 1 1   18    1   52 o  176.308   4.4211  211.266   10.557  201.801   14.736  221.247   15.132  172.247   6.3132  180.368   6.1908 -8.121414 8.842124 
1 1 1   18    1   53 o  185.899   4.4522  234.902   11.191  257.178   16.091  214.031   15.575  194.450   6.1064  177.347   6.4807 17.10286 8.904337 
1 1 1   18    1   54 o  154.625   4.5259  162.733   9.4831  162.600   13.343  162.869   13.480  154.565   6.3705  154.686   6.4306 -0.1209259 9.051849 
1 1 1   18    1   55 o  118.382   6.1890   98.952   9.1664   87.318   15.938  104.703   11.205  112.786   10.428  123.978   6.6694 -11.19160 12.37808 
1 1 1   18    1   56 o  172.480   6.4780  199.183   14.922  254.197   22.955  158.926   19.637  192.714   8.7901  152.247   9.5179 40.46695 12.95593 
1 1 1   18    1   57 o  193.042   4.5112  253.833   11.784  273.390   16.893  235.299   16.445  200.307   6.2236  185.777   6.5324 14.53043 9.022457 
1 1 1   18    1   58 o  145.723   4.5398  144.805   8.9638  141.913   12.583  147.784   12.773  144.244   6.4374  147.202   6.4030 -2.958221 9.079515 
1 1 1   18    1   59 o  126.952   4.6923  110.008   8.0701  106.370   11.292  113.806   11.538  124.802   6.6765  129.103   6.5950 -4.300667 9.384568 
1 1 1   18    1   60 o  104.618   5.0774   74.916   7.1979   74.520   10.222   75.306   10.137  104.337   7.2297  104.900   7.1310 -0.5627136 10.15481 
1 1 1   18    1   61 f  134.519   5.9870  126.551   10.160  118.780   17.696  130.371   12.408  130.988   9.9691  138.050   6.6327 -7.062592 11.97395 
1 1 1   18    1   62 o   75.676   7.4022   39.383   7.1701   41.230   12.478   38.473   8.7608   76.675   12.009   74.677   8.6571 1.998260 14.80432 
1 1 1   18    1   63 o  103.646   5.0937   73.826   7.1498   76.994   10.133   70.685   10.089  105.888   7.0620  101.403   7.3424 4.485512 10.18736 
1 1 1   18    1   64 o  100.279   5.1965   69.262   7.0593   67.842   10.037   70.653   9.9307   99.236   7.4635  101.322   7.2326 -2.086166 10.39301 
1 1 1   18    1   65 o  103.007   5.1567   73.249   7.1870   77.659   10.145   68.806   10.183  106.181   7.0504   99.832   7.5270 6.349098 10.31332 
1 1 1   18    1   66 o  160.922   6.0831  185.197   12.073  193.152   14.553  167.643   21.620  167.571   6.4089  154.274   10.341 13.29709 12.16615 
1 1 1   18    1   67 o   67.582   8.9918   31.970   8.2349   31.970   8.2349   0.0000   0.0000   67.582   8.9918  ?   ?       ?      ? 
1 1 1   18    1   68 o   81.550   5.8799   46.849   6.3717   36.187   8.9213   57.950   9.1034   71.728   9.1782   91.371   7.3521 -19.64340 11.75981 
1 1 1   18    1   69 o  113.682   5.0061   89.740   7.7117   88.703   10.833   90.807   10.980  113.018   7.0732  114.346   7.0862 -1.327530 10.01226 
1 1 1   18    1   70 o   47.330   8.4465   16.959   5.4179   17.330   7.5751   16.570   7.7521   47.910   11.756   46.749   12.132 1.161064 16.89298 
1 1 1   18    1   71 f   37.287   9.2413   7.7509   5.7607   16.033   9.8431   3.4361   7.1045   45.622   14.307   28.951   11.701 16.67021 18.48265 
1 1 1   18    1   72 o   44.362   8.2997   15.059   5.4311   7.8111   7.7901   21.914   7.5757   34.570   12.688   54.155   10.702 -19.58473 16.59940 
1 1 1   18    1   73 o   54.804   8.0355   22.706   5.7746   26.417   8.3706   19.336   7.9766   59.426   10.792   50.182   11.909 9.243679 16.07098 
1 1 1   18    1   74 o   75.568   6.5494   41.470   6.5606   31.954   9.2401   51.143   9.3165   66.218   10.297   84.919   8.0959 -18.70168 13.09871 
1 1 1   18    1   75 o  126.488   5.0777  112.483   8.6890  103.887   12.095  121.653   12.491  121.384   7.3527  131.591   7.0049 -10.20730 10.15531 
1 1 1   18    1   76 o   80.473   8.7404   51.809   8.2454   43.418   14.659   55.692   9.9726   72.677   15.365   88.270   8.3371 -15.59264 17.48080 
1 1 1   18    1   77 o   32.156   9.4573   2.8459   6.3070   9.6054   11.647   0.0414   7.5021   38.417   15.162   25.895   11.308 12.52244 18.91453 
1 1 1   18    1   78 o   30.385   8.4796   4.0363   5.5014  -1.3833   7.8715   9.2114   7.6920   25.257   11.278   35.513   12.666 -10.25546 16.95916 
1 1 1   18    1   79 o   53.826   8.6963   23.336   6.2183   20.539   9.0163   25.873   8.5872   50.103   13.123   57.549   11.414 -7.445530 17.39267 
1 1 1   18    1   80 o   36.385   9.4647   9.9277   6.1529   8.7610   8.6928   11.099   8.7104   35.057   13.295   37.713   13.475 -2.656109 18.92941 
1 1 1   18    1   81 o   60.177   12.506   29.598   9.8658   29.598   9.8658   0.0000   0.0000   60.177   12.506  ?   ?       ?      ? 
1 1 1   18    1   82 o   79.165   7.0179   47.763   7.5147   51.311   10.716   44.331   10.540   82.337   9.6044   75.994   10.235 6.342812 14.03587 
1 1 1   18    1   83 o   34.041   9.3670   8.7360   6.2175   8.1778   8.9341   9.2601   8.6581   33.545   13.266   34.538   13.227 -0.9932632 18.73392 
1 1 1   18    1   84 o   47.889   9.8140   21.078   6.7548   19.706   9.6363   22.404   9.4711   46.075   14.108   49.703   13.646 -3.628208 19.62802 
1 1 1   18    2    0 o  980.308   11.106  6525.03  147.531  6548.05  209.424  6502.36  207.867  982.020   15.737  978.596   15.675 3.424194 22.21147 
1 1 1   18    2    1 o  1020.91   11.529  7077.59  159.493  7009.88  224.411  7146.69  226.721  1015.97   16.300  1025.84   16.309 -9.864685 23.05784 
1 1 1   18    2    2 o  394.052   6.6755  1056.53   33.429  1042.48   58.310  1063.41   40.799  392.040   10.976  396.063   7.6015 -4.022949 13.35097 
1 1 1   18    2    3 o  442.125   6.7816  1333.21   35.186  1310.20   70.058  1340.98   40.690  439.468   11.764  444.782   6.7509 -5.313904 13.56328 
1 1 1   18    2    4 o  452.397   6.8736  1393.59   36.457  1376.54   72.786  1399.30   42.121  450.445   11.924  454.348   6.8412 -3.902435 13.74711 
1 1 1   18    2    5 o  748.828   10.123  3819.06   89.054  3781.22  177.313  3831.83  102.984  745.990   17.540  751.666   10.110 -5.676086 20.24507 
1 1 1   18    2    6 o  239.730   5.0030  382.983   13.907  402.358   28.656  377.014   15.906  243.600   8.6807  235.859   4.9765 7.741333 10.00601 
1 1 1   18    2    7 o  1226.96   15.851 10269.41  228.482 10208.41  455.172 10289.95  264.177  1223.06   27.463  1230.87   15.838 -7.811157 31.70257 
1 1 1   18    2    8 o  1418.80   18.218 13674.76  302.051 13834.38  608.991 13622.68  347.853  1421.94   31.604  1415.65   18.133 6.299316 36.43649 
1 1 1   18    2    9 o  1147.64   14.885  8953.18  200.104  8986.25  401.376  8942.24  230.837  1147.76   25.806  1147.52   14.844 0.2335205 29.77074 
1 1 1   18    2   10 o  600.129   7.2792  2442.69   59.195  2412.28   83.153  2473.94   84.287  596.344   10.290  603.915   10.299 -7.571594 14.55844 
1 1 1   18    2   11 o  655.200   7.8131  2912.37   69.369  2937.69   98.621  2887.58   97.592  658.017   11.060  652.383   11.039 5.633667 15.62621 
1 1 1   18    2   12 o  586.786   7.1642  2335.69   56.968  2340.65   80.661  2330.76   80.469  587.407   10.133  586.165   10.130 1.241943 14.32839 
1 1 1   18    2   13 o  290.329   5.6577  569.823   20.975  576.732   36.475  566.410   25.638  291.603   9.2305  289.054   6.5451 2.549133 11.31549 
1 1 1   18    2   14 o  745.507   10.668  3772.23  101.528  3788.63  176.270  3764.09  124.199  746.370   17.428  744.644   12.308 1.724976 21.33568 
1 1 1   18    2   15 f  242.914   5.3338  404.488   16.559  386.736   28.327  413.705   20.410  238.790   8.7538  247.039   6.0968 -8.248428 10.66770 
1 1 1   18    2   16 o  645.080   9.4374  2810.01   77.523  2873.90  135.872  2779.18   94.396  650.227   15.420  639.934   10.885 10.29291 18.87487 
1 1 1   18    2   17 o  616.710   7.4343  2580.80   62.128  2561.28   87.444  2600.70   88.288  614.356   10.503  619.064   10.524 -4.708130 14.86858 
1 1 1   18    2   18 o  651.140   7.7795  2873.78   68.596  2989.15   99.300  2768.49   94.870  663.618   11.042  638.662   10.962 24.95612 15.55898 
1 1 1   18    2   20 o  453.283   7.2804  1408.95   42.374  1348.67   71.814  1441.15   52.485  445.640   11.892  460.927   8.4027 -15.28732 14.56087 
1 1 1   18    2   21 o  350.933   6.2310  841.339   27.971  817.897   47.974  853.412   34.428  347.125   10.199  354.742   7.1616 -7.616486 12.46196 
1 1 1   18    2   22 o  264.996   4.4853  474.821   16.078  516.474   23.385  437.477   22.142  275.989   6.2525  254.002   6.4327 21.98773 8.970692 
1 1 1   18    2   23 o  428.751   5.7201  1247.12   33.234  1256.74   47.149  1237.61   46.853  430.396   8.0839  427.107   8.0950 3.289368 11.44020 
1 1 1   18    2   24 o  332.761   4.9315  751.042   22.238  751.451   31.407  750.631   31.491  332.852   6.9630  332.670   6.9855 0.1825562 9.863074 
1 1 1   18    2   25 o  753.934   10.769  3887.06  104.186  3920.22  128.498  3823.43  177.997  759.294   12.488  748.574   17.547 10.71973 21.53702 
1 1 1   18    2   26 o  135.032   4.6870  120.468   8.2923  111.965   10.318  135.975   13.934  128.493   5.9258  141.571   7.2633 -13.07799 9.373911 
1 1 1   18    2   27 o  504.827   7.7589  1718.33   49.974  1691.60   60.902  1773.43   87.436  499.125   9.0041  510.528   12.638 -11.40201 15.51771 
1 1 1   18    2   28 o  317.844   4.8400  685.040   20.839  711.634   29.833  659.697   29.122  323.868   6.7974  311.820   6.8918 12.04791 9.679965 
1 1 1   18    2   29 o  497.432   6.3357  1680.64   42.708  1677.42   60.283  1683.88   60.514  496.955   8.9515  497.909   8.9685 -0.9544373 12.67136 
1 1 1   18    2   30 o  385.535   5.3600  1008.93   28.002  1024.56   39.771  993.558   39.433  388.499   7.5544  382.572   7.6061 5.927368 10.72009 
1 1 1   18    2   31 o  362.096   5.1698  890.046   25.367  898.262   35.872  881.828   35.876  363.770   7.2768  360.421   7.3454 3.349274 10.33957 
1 1 1   18    2   32 o  506.171   6.4170  1741.07   44.013  1725.24   61.803  1757.36   62.694  503.840   9.0518  508.502   9.0981 -4.661682 12.83398 
1 1 1   18    2   33 o  199.182   4.1753  269.212   11.260  284.286   16.018  254.489   15.831  204.700   5.7744  193.664   6.0322 11.03621 8.350510 
1 1 1   18    2   34 o  243.748   5.4702  400.516   16.750  395.541   20.143  411.667   30.156  241.423   6.1569  246.073   9.0434 -4.649445 10.94030 
1 1 1   18    2   35 o  268.959   5.6695  488.126   19.195  482.456   23.127  500.679   34.411  266.602   6.4015  271.315   9.3592 -4.712860 11.33904 
1 1 1   18    2   36 o  348.875   5.0956  826.667   24.089  839.655   34.138  813.786   33.997  351.610   7.1646  346.141   7.2477 5.468384 10.19116 
1 1 1   18    2   37 o  354.843   5.1471  854.407   24.734  897.700   35.603  814.020   34.387  363.528   7.2272  346.158   7.3307 17.37042 10.29422 
1 1 1   18    2   38 o  457.793   6.0235  1422.36   37.330  1503.24   54.209  1349.42   51.481  470.146   8.5085  445.440   8.5286 24.70654 12.04708 
1 1 1   18    2   39 o  547.293   6.8371  2039.00   50.697  2000.08   70.849  2079.84   72.576  541.949   9.6470  552.637   9.6911 -10.68799 13.67413 
1 1 1   18    2   40 o  434.005   7.1231  1274.68   39.387  1309.88   69.016  1257.68   47.965  438.005   11.628  430.006   8.2313 7.999268 14.24625 
1 1 1   18    2   41 o  182.663   5.9998  226.562   14.852   0.0000   0.0000  226.562   14.852  ?   ?   182.663   5.9998      ?      ? 
1 1 1   18    2   42 o  321.601   6.0409  707.295   24.952  693.497   42.524  714.541   30.814  318.959   9.8382  324.242   7.0130 -5.283630 12.08187 
1 1 1   18    2   43 f  282.349   4.6969  541.311   17.962  567.044   25.767  516.988   25.051  288.879   6.5821  275.820   6.7022 13.05923 9.393802 
1 1 1   18    2   44 o  269.498   5.8025  498.739   19.821  507.005   24.203  481.902   34.541  273.145   6.5387  265.851   9.5876 7.294586 11.60500 
1 1 1   18    2   45 o  303.171   6.8987  626.995   28.326  626.263   39.392  627.779   40.763  303.021   9.5929  303.320   9.9170 -0.2984619 13.79749 
1 1 1   18    2   46 o  152.796   4.3197  158.671   8.9420  161.466   12.583  155.819   12.709  154.161   6.0233  151.430   6.1934 2.731598 8.639361 
1 1 1   18    2   47 o  191.340   5.1926  246.224   12.775  240.203   15.663  258.189   22.081  188.007   6.1479  194.674   8.3699 -6.667480 10.38520 
1 1 1   18    2   48 o  407.080   6.9306  1148.75   36.348  1190.44   45.375  1074.08   60.724  418.069   8.0091  396.091   11.313 21.97870 13.86125 
1 1 1   18    2   49 f   67.193   6.0903   30.958   5.5091   34.510   7.7170   27.267   7.8674   71.174   8.0009   63.212   9.1844 7.962460 12.18063 
1 1 1   18    2   50 o  196.346   4.3956  262.134   11.685  277.009   16.625  247.612   16.427  201.866   6.0774  190.826   6.3523 11.04030 8.791278 
1 1 1   18    2   51 o  136.915   4.4769  127.364   8.3010  121.150   11.556  133.987   11.931  133.464   6.3897  140.366   6.2725 -6.902313 8.953865 
1 1 1   18    2   52 o  160.488   5.6892  179.792   11.392  186.919   13.818  164.664   20.132  165.784   6.1505  155.192   9.5728 10.59169 11.37838 
1 1 1   18    2   53 o  103.840   6.3810   76.272   8.2352   80.758   10.017   66.916   14.466  108.909   6.7871   98.771   10.808 10.13805 12.76196 
1 1 1   18    2   54 o  230.499   4.5573  361.645   14.234  356.246   20.007  367.180   20.256  228.756   6.4539  232.242   6.4362 -3.486786 9.114691 
1 1 1   18    2   55 o  146.211   4.5586  145.563   9.0298  150.360   12.864  140.903   12.678  148.592   6.3886  143.830   6.5045 4.762100 9.117210 
1 1 1   18    2   56 o  299.263   4.9457  610.425   20.049  633.899   28.759  588.229   27.965  304.866   6.9611  293.660   7.0273 11.20584 9.891451 
1 1 1   18    2   57 o  125.768   4.7628  107.977   8.1082  101.924   11.455  114.053   11.478  122.211   6.9170  129.326   6.5494 -7.114571 9.525701 
1 1 1   18    2   58 o  205.488   6.4210  288.060   17.880   0.0000   0.0000  288.060   17.880  ?   ?   205.488   6.4210      ?      ? 
1 1 1   18    2   59 o   77.210   8.5585   43.042   8.5080   34.648   12.562   50.155   11.564   69.164   13.886   85.256   10.009 -16.09176 17.11703 
1 1 1   18    2   60 o  197.896   4.5940  267.675   12.315  277.508   17.458  257.936   17.374  201.541   6.3922  194.251   6.6000 7.289978 9.188062 
1 1 1   18    2   61 o   81.898   5.7941   46.337   6.3460   55.865   9.0987   37.312   8.8555   90.240   7.4404   73.556   8.8841 16.68372 11.58820 
1 1 1   18    2   62 o  134.813   4.7299  124.528   8.6389  121.009   12.179  128.091   12.256  132.879   6.7633  136.746   6.6140 -3.866470 9.459752 
1 1 1   18    2   63 f   69.015   6.2169   32.971   5.7958   36.469   8.2968   29.638   8.0997   72.649   8.4274   65.380   9.1420 7.269417 12.43374 
1 1 1   18    2   64 o   93.193   6.3586   61.250   7.6352   63.583   9.5482   57.113   12.715   96.074   7.3339   90.312   10.389 5.761726 12.71720 
1 1 1   18    2   65 o  160.721   5.5638  180.010   11.518  182.993   14.307  174.517   19.417  163.168   6.4705  158.273   9.0529 4.895309 11.12754 
1 1 1   18    2   66 o   82.589   5.7550   47.440   6.4273   43.925   9.0841   50.964   9.0950   79.445   8.4378   85.732   7.8284 -6.286766 11.51005 
1 1 1   18    2   67 o   61.768   7.2665   27.612   5.7980   20.133   8.0529   35.662   8.3548   52.100   11.693   71.437   8.6304 -19.33752 14.53309 
1 1 1   18    2   68 o   40.206   9.7715   11.131   6.1300   10.963   7.3872   11.504   10.985   38.929   12.417   41.482   15.091 -2.552902 19.54301 
1 1 1   18    2   69 f   93.194   7.0203   63.406   8.1550   66.369   9.9361   57.291   14.275   97.572   7.5146   88.815   11.860 8.756737 14.04057 
1 1 1   18    2   70 o  102.040   5.2612   72.730   7.2749   73.397   10.295   72.064   10.281  102.520   7.4105  101.561   7.4701 0.9595871 10.52231 
1 1 1   18    2   71 o   96.700   5.4446   65.685   7.1241   69.593   10.065   61.761   10.085   99.692   7.4501   93.709   7.9418 5.983521 10.88929 
1 1 1   18    2   72 o   67.489   6.7904   32.681   6.1913   29.493   8.6393   36.046   8.8773   63.960   9.9675   71.017   9.2243 -7.056755 13.58088 
1 1 1   18    2   73 o  135.764   6.0954  132.639   10.549  126.651   18.016  135.764   13.014  132.222   10.055  139.305   6.8936 -7.083450 12.19080 
1 1 1   18    2   74 o   54.989   9.9372   23.953   7.0549   24.574   12.734   23.678   8.4743   54.341   16.127   55.637   11.615 -1.295162 19.87431 
1 1 1   18    2   75 o   78.989   6.3523   44.918   6.7757   40.563   9.5303   49.371   9.6352   74.901   9.3894   83.077   8.5585 -8.175804 12.70468 
1 1 1   18    2   76 o   89.495   5.8729   57.306   7.1151   60.005   10.044   54.587   10.081   91.738   8.0791   87.252   8.5259 4.485909 11.74577 
1 1 1   18    2   77 o   35.681   9.1036   8.9049   5.7144   11.621   8.2120   6.3547   7.9567   38.892   13.130   32.469   12.614 6.422783 18.20729 
1 1 1   18    2   78 o   68.452   7.5280   35.383   6.7883   31.258   9.5278   39.635   9.6742   63.530   11.490   73.374   9.7295 -9.843533 15.05600 
1 1 1   18    2   79 o   47.976   10.147   19.603   7.0736   20.670   8.9786   17.858   11.485   50.225   13.067   45.727   15.527 4.498356 20.29350 
1 1 1   18    2   80 o   60.626   8.3433   30.141   6.7239   15.073   9.4256   45.755   9.5946   42.431   14.063   78.821   8.9826 -36.38962 16.68669 
1 1 1   18    2   81 o   69.222   7.9329   37.725   7.1627   44.434   10.178   31.142   10.081   76.761   9.7848   61.683   12.489 15.07835 15.86580 
1 1 1   18    2   82 o   48.412   10.939   21.154   7.7865   19.769   9.4905   24.007   13.619   47.375   13.886   49.448   16.907 -2.073360 21.87850 
1 1 1   18    2   83 o   48.380   10.666   19.009   7.6391   11.735   9.2705   34.395   13.483   37.245   13.811   59.516   16.258 -22.27093 21.33206 
1 1 1   18    2   84 o   46.044   9.4859   19.362   6.6507   12.460   9.4284   26.198   9.3828   37.484   13.923   54.604   12.888 -17.11953 18.97189 
1 1 1   18    3    0 o  537.826   9.4575  1962.80   68.919  1916.92   96.964  2009.65   97.978  531.469   13.463  544.182   13.286 -12.71326 18.91509 
1 1 1   18    3    1 o  786.029   10.570  4190.48  112.591   0.0000   0.0000  4190.48  112.591  ?   ?   786.029   10.570      ?      ? 
1 1 1   18    3    2 o  230.666   6.1484  360.636   19.219   0.0000   0.0000  360.636   19.219  ?   ?   230.666   6.1484      ?      ? 
1 1 1   18    3    3 o  380.003   6.2069  966.521   27.143  1003.03   56.381  955.507   30.968  384.543   10.819  375.462   6.0865 9.081177 12.41387 
1 1 1   18    3    4 o  394.832   6.3302  1051.69   28.972  1067.48   59.225  1046.72   33.218  396.694   11.017  392.970   6.2378 3.724518 12.66049 
1 1 1   18    3    5 o  709.297   9.6906  3419.64   80.553  3405.84  161.228  3424.23   92.991  708.020   16.804  710.575   9.6571 -2.555054 19.38126 
1 1 1   18    3    6 f  380.027   6.1599  966.526   27.074  1003.81   55.840  955.068   30.956  384.682   10.712  375.371   6.0856 9.311157 12.31980 
1 1 1   18    3    7 o  864.631   11.521  5142.03  117.826  4949.62  230.488  5210.10  137.093  852.964   19.940  876.298   11.545 -23.33386 23.04132 
1 1 1   18    3    8 o  282.360   5.6653  535.325   20.271  555.289   35.992  526.050   24.532  286.145   9.2819  278.574   6.4983 7.571228 11.33054 
1 1 1   18    3    9 o  763.168   10.300  3957.47   92.038  3951.33  184.570  3959.50  106.182  762.332   17.866  764.004   10.256 -1.672485 20.60063 
1 1 1   18    3   10 o  850.955   11.350  4950.08  113.696  4860.98  225.176  4980.57  131.720  845.170   19.661  856.740   11.345 -11.57062 22.69925 
1 1 1   18    3   11 o  190.580   5.1363  243.847   12.345  252.781   22.116  239.804   14.878  193.070   8.4531  188.090   5.8370 4.980301 10.27256 
1 1 1   18    3   12 o  856.294   9.8313  4979.81  114.082  4993.63  161.591  4966.08  161.082  857.478   13.906  855.110   13.901 2.368408 19.66267 
1 1 1   18    3   13 o  326.752   4.8762  723.821   21.591  729.091   30.655  718.634   30.414  327.932   6.8982  325.572   6.8937 2.360046 9.752303 
1 1 1   18    3   14 o  440.762   5.8178  1315.80   34.727  1373.14   50.157  1263.00   48.129  449.974   8.2254  431.550   8.2298 18.42416 11.63562 
1 1 1   18    3   15 o  874.689   10.025  5197.49  118.822  5141.52  166.815  5255.13  169.291  869.914   14.151  879.464   14.205 -9.549805 20.05034 
1 1 1   18    3   16 o  365.993   6.5158  918.236   30.263  936.652   37.021  881.138   52.543  371.662   7.3504  360.324   10.761 11.33826 13.03154 
1 1 1   18    3   17 o  316.068   6.0731  682.648   24.209  691.612   29.396  663.756   42.678  319.380   6.7921  312.756   10.070 6.624390 12.14619 
1 1 1   18    3   18 o  608.253   9.0948  2515.05   70.394  2518.56   85.920  2507.89  122.775  609.167   10.408  607.340   14.917 1.827209 18.18954 
1 1 1   18    3   19 o  871.597   12.249  5236.42  137.958  5395.21  172.471  4954.35  229.876  890.849   14.287  852.344   19.902 38.50488 24.49887 
1 1 1   18    3   20 o  399.340   6.5445  1047.87   33.113  990.476   39.753  1177.92   59.842  382.140   7.6765  416.540   10.602 -34.39978 13.08894 
1 1 1   18    3   21 o  825.504   11.662  4683.46  124.086  4784.31  154.309  4498.91  208.743  838.865   13.574  812.143   18.967 26.72168 23.32391 
1 1 1   18    3   22 o  424.134   5.6708  1220.34   32.592  1237.76   46.300  1203.22   45.886  427.137   7.9989  421.132   8.0405 6.004578 11.34161 
1 1 1   18    3   23 o  780.253   9.0729  4137.43   95.908  4235.51  137.515  4044.54  133.828  789.246   12.857  771.259   12.805 17.98712 18.14579 
1 1 1   18    3   24 o  476.552   6.1405  1540.34   39.640  1501.02   55.151  1582.37   57.015  470.268   8.6541  482.837   8.7137 -12.56934 12.28100 
1 1 1   18    3   25 o  161.609   8.1964  177.256   17.950  177.256   17.950   0.0000   0.0000  161.609   8.1964  ?   ?       ?      ? 
1 1 1   18    3   26 o  434.191   7.1792  1313.22   40.304  1164.57   65.790  1402.52   50.994  413.828   11.732  454.554   8.2784 -40.72617 14.35837 
1 1 1   18    3   27 o  295.134   6.5873  590.914   26.346  590.914   26.346   0.0000   0.0000  295.134   6.5873  ?   ?       ?      ? 
1 1 1   18    3   28 o  433.807   5.7656  1276.83   33.883  1244.27   47.179  1311.52   48.691  428.102   8.1324  439.513   8.1752 -11.41122 11.53123 
1 1 1   18    3   29 o  289.520   4.6404  568.737   18.206  568.530   25.641  568.948   25.853  289.468   6.5367  289.571   6.5884 -0.1032104 9.280874 
1 1 1   18    3   30 o  356.423   5.1382  859.840   24.782  808.959   34.014  917.407   36.180  345.217   7.2708  367.630   7.2623 -22.41281 10.27649 
1 1 1   18    3   31 o  149.564   4.0704  151.793   8.2472  153.830   11.567  149.687   11.762  150.587   5.6682  148.540   5.8434 2.046982 8.140846 
1 1 1   18    3   32 o  398.825   5.4815  1080.13   29.622  1103.01   42.130  1057.76   41.659  403.007   7.7143  394.644   7.7896 8.363037 10.96306 
1 1 1   18    3   33 o  352.895   5.1118  845.601   24.444  844.221   34.378  847.011   34.764  352.607   7.1947  353.182   7.2634 -0.5751343 10.22354 
1 1 1   18    3   34 o  209.664   4.2287  298.298   12.013  297.474   16.828  299.155   17.154  209.372   5.9312  209.957   6.0290 -0.5852814 8.457417 
1 1 1   18    3   35 o  288.223   6.5577  563.979   25.613  563.979   25.613   0.0000   0.0000  288.223   6.5577  ?   ?       ?      ? 
1 1 1   18    3   36 o  213.014   5.2131  310.779   14.290  300.060   24.162  316.545   17.721  210.076   8.4875  215.952   6.0555 -5.876724 10.42625 
1 1 1   18    3   37 o  270.373   5.6046  500.738   19.521  484.292   32.944  509.637   24.234  266.787   9.1124  273.959   6.5277 -7.171814 11.20925 
1 1 1   18    3   38 o  231.735   5.5297  366.935   16.047  370.048   19.348  360.075   28.721  233.464   6.1156  230.006   9.2146 3.458374 11.05931 
1 1 1   18    3   39 f  178.350   4.2056  215.999   10.160  217.621   14.186  214.292   14.557  179.043   5.8470  177.657   6.0464 1.386520 8.411115 
1 1 1   18    3   40 o  200.212   5.5545  282.797   13.827  300.638   16.840  245.873   24.226  210.426   5.9055  189.998   9.4093 20.42772 11.10900 
1 1 1   18    3   41 o  471.084   8.8157  1514.46   56.198  1629.60   81.590  1410.52   77.518  488.128   12.334  454.041   12.599 34.08649 17.63142 
1 1 1   18    3   42 o  193.844   4.3289  255.333   11.352  274.779   16.157  236.375   15.953  201.151   5.9271  186.538   6.3108 14.61366 8.657746 
1 1 1   18    3   43 o  636.951   7.7502  2770.96   66.892  2812.82   95.140  2730.04   94.068  641.717   10.941  632.185   10.980 9.531616 15.50043 
1 1 1   18    3   44 o  347.282   7.2409  820.539   34.013  757.112   46.711  892.121   49.623  333.016   10.351  361.548   10.128 -28.53223 14.48173 
1 1 1   18    3   45 o  377.602   5.4145  969.440   27.688  1019.05   39.755  922.701   38.586  386.992   7.5806  368.212   7.7330 18.78070 10.82892 
1 1 1   18    3   46 o  167.058   6.0611  189.632   13.721  189.632   13.721   0.0000   0.0000  167.058   6.0611  ?   ?       ?      ? 
1 1 1   18    3   47 o  212.533   4.4109  307.090   12.701  312.760   17.885  301.322   18.039  214.522   6.1524  210.545   6.3224 3.977356 8.821839 
1 1 1   18    3   48 o  102.274   4.8855   70.986   6.7583   65.148   9.3310   77.428   9.8016   97.854   7.0367  106.695   6.7791 -8.840256 9.770910 
1 1 1   18    3   49 o  243.218   4.5607  402.039   15.017  427.524   21.501  377.767   20.983  250.755   6.3274  235.680   6.5699 15.07492 9.121407 
1 1 1   18    3   50 o  225.098   4.4863  344.552   13.684  342.596   19.220  346.564   19.487  224.454   6.3190  225.743   6.3701 -1.289398 8.972651 
1 1 1   18    3   51 o  146.214   4.5088  145.569   8.8820  166.394   12.736  125.853   12.393  156.437   6.0079  135.992   6.7247 20.44510 9.017547 
1 1 1   18    3   52 o  123.583   4.6363  104.047   7.7506  111.377   10.976   96.758   10.946  127.947   6.3305  119.219   6.7752 8.727921 9.272499 
1 1 1   18    3   53 o  149.866   4.5142  152.751   9.1605  144.364   12.783  161.606   13.134  145.630   6.4771  154.102   6.2895 -8.471725 9.028367 
1 1 1   18    3   54 f  152.861   4.5254  159.062   9.3731  156.671   13.136  161.542   13.379  151.692   6.3902  154.030   6.4095 -2.337799 9.050708 
1 1 1   18    3   55 o   93.573   7.0041   59.746   8.1766   59.219   9.7923   60.960   14.860   93.123   7.7597   94.022   11.663 -0.8985596 14.00826 
1 1 1   18    3   56 o  197.438   5.5671  270.529   14.132  253.162   23.714  280.093   17.598  192.155   9.1069  202.721   6.4059 -10.56598 11.13424 
1 1 1   18    3   57 o  232.920   4.5918  370.039   14.492  376.435   20.551  363.712   20.440  234.931   6.4551  230.908   6.5321 4.022476 9.183514 
1 1 1   18    3   58 o  142.813   4.5810  139.195   8.8602  145.899   12.618  132.674   12.444  146.223   6.3680  139.404   6.5872 6.818741 9.162030 
1 1 1   18    3   59 o  116.762   4.8451   93.217   7.6646   90.641   10.804   95.827   10.875  115.127   6.9253  118.398   6.7779 -3.270226 9.690193 
1 1 1   18    3   60 o  119.902   5.8893   98.739   9.0111   99.222   15.638   98.498   11.026  119.824   9.6305  119.979   6.7814 -0.1542816 11.77855 
1 1 1   18    3   61 o  180.788   6.4091  226.731   15.606  198.967   22.121  254.240   22.019  169.499   9.6305  192.077   8.4594 -22.57739 12.81826 
1 1 1   18    3   62 o  146.375   6.4937  149.493   12.755  127.083   18.160  171.309   17.918  135.206   9.9114  157.545   8.3926 -22.33920 12.98736 
1 1 1   18    3   63 o  107.987   5.9088   80.913   8.3574   81.761   10.583   79.508   13.622  109.030   7.1628  106.945   9.3996 2.084793 11.81769 
1 1 1   18    3   64 o  134.552   4.6981  124.368   8.5635  128.894   12.259  120.054   11.967  136.952   6.6056  132.151   6.6825 4.801178 9.396240 
1 1 1   18    3   65 o   99.352   5.1735   68.255   6.9499   62.952   9.8092   73.600   9.8483   95.401   7.5875  103.302   7.0351 -7.900948 10.34707 
1 1 1   18    3   66 o   59.168   7.2458   25.055   5.6798   24.930   8.2478   25.168   7.8331   58.495   10.803   59.840   9.6596 -1.344467 14.49160 
1 1 1   18    3   67 o  180.019   4.6485  223.764   11.331  235.878   16.131  211.967   15.919  184.897   6.4381  175.141   6.7072 9.756104 9.297092 
1 1 1   18    3   68 o  111.146   5.0238   85.719   7.5558   79.631   10.561   92.104   10.815  107.038   7.2807  115.255   6.9242 -8.216583 10.04756 
1 1 1   18    3   69 f   79.886   5.8958   44.796   6.3498   39.033   8.8073   51.034   9.1632   74.401   8.7354   85.371   7.9205 -10.96988 11.79158 
1 1 1   18    3   70 o   99.907   6.9344   72.136   8.5859   73.391   10.330   69.331   15.443  102.446   7.4405   97.369   11.704 5.077507 13.86886 
1 1 1   18    3   71 o   87.979   8.5939   57.135   10.233   53.530   14.123   61.119   14.847   84.998   12.261   90.960   12.045 -5.961510 17.18777 
1 1 1   18    3   72 o   79.637   8.8002   53.029   7.9350   35.365   13.997   61.394   9.6322   65.860   15.871   93.414   7.6091 -27.55402 17.60038 
1 1 1   18    3   73 o  166.980   4.8189  194.996   10.896  205.800   15.568  184.624   15.254  171.604   6.6947  162.357   6.9330 9.247345 9.637733 
1 1 1   18    3   74 o   57.663   7.9176   25.041   6.0417   20.471   8.4392   29.846   8.6534   51.268   12.304   64.059   9.9684 -12.79033 15.83511 
1 1 1   18    3   75 o   90.920   7.0190   57.653   8.2737   69.712   14.379   51.684   10.116   97.020   10.936   84.820   8.8011 12.19999 14.03801 
1 1 1   18    3   76 o   58.821   9.4166   27.736   7.1221   28.118   8.9133   27.061   11.845   60.627   11.264   57.014   15.094 3.612740 18.83323 
1 1 1   18    3   77 o  126.112   6.4692  119.453   10.457  130.947   13.303  100.866   16.917  135.947   7.2211  116.278   10.736 19.66847 12.93844 
1 1 1   18    3   78 o   53.508   8.7713   23.149   6.2643   19.523   9.1481   26.351   8.5958   48.769   13.420   58.246   11.298 -9.476669 17.54260 
1 1 1   18    3   79 o   33.221   9.0867   7.1443   5.8302   8.7987   8.4890   5.6673   8.0211   35.076   13.175   31.367   12.518 3.709114 18.17340 
1 1 1   18    3   80 o   90.793   6.2810   60.763   7.7185   61.083   11.199   60.474   10.653   90.840   9.0975   90.746   8.6626 0.9495544E-01 12.56207 
1 1 1   18    3   81 o   76.914   7.0619   45.011   7.3507   44.203   10.592   45.762   10.209   75.994   10.285   77.834   9.6794 -1.840881 14.12371 
1 1 1   18    3   82 o   53.969   8.5134   23.697   6.6541   39.418   9.9370   10.917   8.9594   71.351   10.277   36.588   13.575 34.76328 17.02690 
1 1 1   18    3   83 o   31.504   8.8128   4.9675   6.0826   13.122   8.8872  -2.2183   8.3427   38.622   13.631   24.386   11.174 14.23582 17.62550 
1 1 1   18    3   84 o   43.208   11.593   19.529   9.3486   20.254   13.352   18.833   13.094   43.783   16.507   42.634   16.281 1.148590 23.18533 
1 1 1   18    4    0 o  680.504   8.0848  3140.11   74.537  3073.09  103.993  3210.92  106.889  673.043   11.402  687.966   11.465 -14.92273 16.16959 
1 1 1   18    4    1 o  958.121   10.885  6231.19  141.284  6101.88  196.981  6368.18  202.755  947.897   15.335  968.344   15.451 -20.44678 21.76911 
1 1 1   18    4    2 o  405.368   6.5081  1131.87   30.845  1079.58   61.281  1149.62   35.697  398.911   11.336  411.825   6.3963 -12.91309 13.01620 
1 1 1   18    4    3 o  142.053   5.1127  140.578   7.9894  130.353   17.178  143.400   9.0249  138.644   9.1431  145.463   4.5784 -6.818893 10.22531 
1 1 1   18    4    4 o  215.657   5.0453  315.159   12.331  315.527   25.951  315.051   14.014  215.708   8.8778  215.607   4.7965 0.1006775 10.09069 
1 1 1   18    4    5 o  321.693   6.0554  700.491   24.684  705.238   43.517  698.240   29.971  322.451   9.9590  320.935   6.8914 1.516022 12.11088 
1 1 1   18    4    6 o  311.669   5.6350  658.746   20.208  658.409   41.598  658.850   23.119  311.560   9.8525  311.778   5.4719 -0.2182312 11.27007 
1 1 1   18    4    7 o  610.655   8.5742  2523.12   60.958  2545.86  123.612  2515.82   70.070  612.211   14.900  609.099   8.4891 3.112122 17.14830 
1 1 1   18    4    8 o  585.456   8.2734  2285.05   55.833  2404.47  116.064  2249.09   63.687  594.996   14.395  575.917   8.1603 19.07916 16.54677 
1 1 1   18    4    9 o  722.381   10.409  3543.85   95.561  3548.09  167.239  3541.79  116.444  722.378   17.084  722.384   11.895 -0.5798340E-02 20.81715 
1 1 1   18    4   10 o  500.049   7.7914  1685.23   49.103  1728.19   87.839  1665.71   59.220  504.517   12.848  495.580   8.8180 8.937225 15.58275 
1 1 1   18    4   11 o  317.426   5.9085  680.285   23.375  691.069   42.576  675.631   27.967  319.164   9.8439  315.689   6.5374 3.475098 11.81696 
1 1 1   18    4   12 o  582.118   8.7106  2277.99   63.914  2362.27  114.603  2239.95   77.000  589.645   14.342  574.590   9.8890 15.05493 17.42114 
1 1 1   18    4   13 o  614.773   9.1176  2585.30   71.513  2510.83  123.252  2623.10   87.804  607.808   14.964  621.738   10.421 -13.93024 18.23521 
1 1 1   18    4   14 o  596.693   8.8777  2392.33   66.800  2487.08  119.751  2349.53   80.485  604.946   14.608  588.441   10.093 16.50531 17.75550 
1 1 1   18    4   15 o  376.697   5.2732  961.416   26.907  928.416   37.430  996.702   38.705  370.013   7.4649  383.380   7.4500 -13.36667 10.54647 
1 1 1   18    4   16 o  282.368   6.4912  540.588   24.838  540.588   24.838   0.0000   0.0000  282.368   6.4912  ?   ?       ?      ? 
1 1 1   18    4   17 o  671.042   7.9730  3057.28   72.502  3076.64  102.846  3038.15  102.224  673.154   11.274  668.929   11.277 4.224670 15.94608 
1 1 1   18    4   18 o  349.856   5.0627  830.053   24.002  827.645   33.826  832.495   34.063  349.345   7.1452  350.366   7.1742 -1.020844 10.12536 
1 1 1   18    4   19 o  341.405   5.0053  789.796   23.147  764.021   32.193  817.381   33.305  335.643   7.0779  347.166   7.0793 -11.52301 10.01065 
1 1 1   18    4   20 o  764.365   8.9119  3968.29   92.280  4079.48  132.599  3863.86  128.503  774.735   12.630  753.994   12.577 20.74139 17.82384 
1 1 1   18    4   21 o  560.226   6.9248  2125.78   52.506  2028.44   72.099  2235.70   76.616  546.609   9.7335  573.842   9.8524 -27.23273 13.84963 
1 1 1   18    4   22 o  282.016   5.8035  536.051   20.407  530.483   24.404  548.998   37.212  279.679   6.4391  284.354   9.6571 -4.675415 11.60691 
1 1 1   18    4   23 o  543.627   8.3822  2009.15   57.797  2009.26   70.308  2008.94  101.501  543.967   9.5379  543.286   13.787 0.6808472 16.76436 
1 1 1   18    4   24 o  292.430   4.6682  579.783   18.488  608.615   26.441  552.200   25.861  299.544   6.5137  285.315   6.6887 14.22891 9.336351 
1 1 1   18    4   25 o  413.692   5.6094  1160.49   31.430  1213.33   45.186  1110.97   43.747  422.811   7.8862  404.574   7.9793 18.23715 11.21881 
1 1 1   18    4   26 o  242.473   4.3724  398.915   14.361  411.906   20.308  385.921   20.312  246.427   6.0814  238.519   6.2840 7.908249 8.744879 
1 1 1   18    4   27 f  883.240   10.151  5319.63  121.497  5317.75  171.643  5321.52  172.004  883.089   14.343  883.391   14.368 -0.3022461 20.30186 
1 1 1   18    4   28 o  338.058   6.1773  783.701   26.761  753.172   45.584  799.757   33.057  332.843   10.106  343.274   7.1063 -10.43100 12.35470 
1 1 1   18    4   29 o  216.087   5.1874  311.695   14.302  332.530   25.214  301.811   17.367  221.259   8.4094  210.916   6.0761 10.34264 10.37487 
1 1 1   18    4   30 o  251.878   4.4237  430.569   15.095  442.356   21.350  418.788   21.345  255.330   6.1704  248.425   6.3405 6.904663 8.847342 
1 1 1   18    4   31 o  181.225   4.1448  223.071   10.154  242.647   14.427  203.857   14.293  189.121   5.6292  173.328   6.0851 15.79289 8.289515 
1 1 1   18    4   32 o  584.484   8.7751  2329.85   65.717  2328.43  113.073  2330.58   80.757  583.743   14.294  585.226   10.183 -1.482910 17.55027 
1 1 1   18    4   33 o  326.526   6.0344  732.873   25.419  697.451   42.582  752.483   31.683  320.160   9.8146  332.892   7.0233 -12.73190 12.06874 
1 1 1   18    4   34 o  203.889   4.2094  282.210   11.626  285.664   16.285  278.620   16.603  205.167   5.8574  202.612   6.0471 2.555603 8.418804 
1 1 1   18    4   35 o  155.407   4.1217  163.226   8.6615  150.648   11.835  177.734   12.711  148.986   5.8617  161.829   5.7960 -12.84306 8.243387 
1 1 1   18    4   36 o  224.337   5.5744  349.832   15.556  362.590   18.802  322.144   27.697  231.118   6.0031  217.557   9.3946 13.56047 11.14879 
1 1 1   18    4   37 o  173.114   6.1198  204.267   14.302  208.954   19.533  198.849   21.001  175.292   8.2227  170.935   9.0661 4.357590 12.23954 
1 1 1   18    4   38 o  494.939   6.3603  1666.82   42.651  1711.80   60.895  1623.50   59.757  501.501   8.9604  488.378   9.0292 13.12289 12.72063 
1 1 1   18    4   39 o  422.345   5.7282  1212.64   32.773  1189.09   45.622  1237.74   47.111  418.121   8.0517  426.569   8.1499 -8.447266 11.45648 
1 1 1   18    4   40 o  117.704   6.0187   94.082   9.6002   94.082   9.6002   0.0000   0.0000  117.704   6.0187  ?   ?       ?      ? 
1 1 1   18    4   41 f  236.034   6.1499  378.411   19.671  378.411   19.671   0.0000   0.0000  236.034   6.1499  ?   ?       ?      ? 
1 1 1   18    4   42 o  148.029   4.2938  149.635   8.5522  169.202   12.051  129.783   12.139  157.856   5.6336  138.203   6.4814 19.65283 8.587582 
1 1 1   18    4   43 o  269.254   6.4608  492.668   23.574  492.668   23.574   0.0000   0.0000  269.254   6.4608  ?   ?       ?      ? 
1 1 1   18    4   44 o  211.324   4.3652  302.973   12.490  292.218   17.237  314.865   18.124  207.384   6.1333  215.263   6.2131 -7.878586 8.730375 
1 1 1   18    4   45 o  145.923   4.3503  144.511   8.5942  140.691   11.844  148.759   12.490  143.894   6.0741  147.952   6.2294 -4.057617 8.700553 
1 1 1   18    4   46 o  280.605   5.8492  542.688   21.106  516.059   35.580  557.146   26.218  274.978   9.5482  286.232   6.7592 -11.25351 11.69849 
1 1 1   18    4   47 o  497.034   7.8819  1662.69   49.667  1771.76   88.567  1612.66   59.987  507.879   12.869  486.189   9.1048 21.68994 15.76378 
1 1 1   18    4   48 o  285.921   4.7771  556.089   18.507  555.444   25.948  556.758   26.403  285.761   6.7007  286.080   6.8105 -0.3194885 9.554235 
1 1 1   18    4   49 o  173.962   4.3762  205.809   10.314  208.294   14.474  203.245   14.700  175.038   6.1020  172.887   6.2745 2.151184 8.752335 
1 1 1   18    4   50 o  300.932   4.8962  614.211   19.931  572.778   27.280  661.652   29.190  290.082   6.9396  311.783   6.9088 -21.70020 9.792362 
1 1 1   18    4   51 o   79.288   5.5117   42.836   5.8478   34.287   8.0524   52.376   8.5065   70.883   8.3830   87.693   7.1581 -16.80973 11.02331 
1 1 1   18    4   52 o   85.690   6.7606   53.468   7.2006   41.147   12.110   60.207   8.9558   77.368   11.550   94.012   7.0297 -16.64352 13.52127 
1 1 1   18    4   53 o  282.991   5.8191  533.050   21.038  588.313   37.245  507.157   25.494  293.155   9.3755  272.826   6.8956 20.32913 11.63826 
1 1 1   18    4   54 o  112.922   4.8955   87.044   7.4809   90.265   10.446   83.654   10.718  115.090   6.6978  110.753   7.1415 4.337532 9.790910 
1 1 1   18    4   55 o  224.114   4.5754  342.221   13.875  368.168   19.847  317.418   19.405  232.454   6.3006  215.774   6.6363 16.68059 9.150856 
1 1 1   18    4   56 o  183.288   4.4955  229.138   11.160  237.680   15.774  220.580   15.790  186.731   6.2338  179.845   6.4791 6.885696 8.991052 
1 1 1   18    4   57 o   82.223   8.5343   54.963   7.6027   63.790   9.0413   33.657   14.047   96.635   6.9042   67.811   15.610 28.82455 17.06861 
1 1 1   18    4   59 o   54.076   8.4867   22.651   6.1024   28.184   7.7198   13.436   9.9633   63.967   8.9057   44.184   14.449 19.78309 16.97334 
1 1 1   18    4   60 o   70.487   6.2973   34.601   5.8942   26.524   8.2565   42.996   8.4172   61.876   9.8467   79.097   7.8528 -17.22055 12.59458 
1 1 1   18    4   61 o  108.553   5.0043   80.941   7.3536   77.034   10.434   84.798   10.365  105.910   7.2701  111.197   6.8786 -5.287086 10.00851 
1 1 1   18    4   62 o  105.075   6.1595   74.890   8.2736   81.089   14.553   71.929   10.057  107.883   9.9547  102.268   7.2568 5.614738 12.31893 
1 1 1   18    4   63 o  158.595   5.7923  177.936   11.614  162.586   19.974  185.775   14.275  152.669   9.6545  164.520   6.4027 -11.85051 11.58461 
1 1 1   18    4   64 o   63.420   6.5965   28.046   5.6588   30.480   8.1512   25.782   7.8622   66.118   9.0974   60.722   9.5547 5.396404 13.19302 
1 1 1   18    4   65 o  115.963   6.1705   96.043   9.0243   87.221   15.543  100.529   11.084  111.189   10.316  120.737   6.7743 -9.548615 12.34107 
1 1 1   18    4   66 o  116.381   5.7367   90.630   8.8268   78.259   11.091  112.002   14.578  106.131   7.7116  126.631   8.4953 -20.50002 11.47341 
1 1 1   18    4   67 o   61.347   6.8025   26.597   5.6537   27.315   8.1020   25.916   7.8931   62.153   9.6194   60.540   9.6210 1.612671 13.60502 
1 1 1   18    4   68 o   53.422   7.9746   21.327   5.5791   20.399   8.1953   22.129   7.6164   52.081   11.875   54.764   10.647 -2.682480 15.94911 
1 1 1   18    4   69 f  149.527   6.0133  160.715   11.287  148.836   19.687  166.531   13.776  144.146   10.079  154.907   6.5623 -10.76035 12.02667 
1 1 1   18    4   70 o   74.717   6.4698   40.437   6.3448   29.429   8.9764   51.428   8.9694   63.853   10.374   85.582   7.7339 -21.72889 12.93951 
1 1 1   18    4   71 o   33.182   7.0883   2.2947   5.0475   17.850   7.1988 -12.7482   7.0793   48.545   11.174   17.818   8.7239 30.72650 14.17657 
1 1 1   18    4   72 f   93.319   7.2988   63.176   8.3437   63.024   9.9135   63.545   15.450   94.520   7.7397   92.118   12.377 2.402214 14.59758 
1 1 1   18    4   73 o   93.476   7.4213   64.946   8.6217   66.842   10.447   60.898   15.266   97.130   7.9372   89.821   12.542 7.308739 14.84254 
1 1 1   18    4   74 o   45.472   9.7850   15.829   6.4165   13.494   8.1000   19.763   10.513   41.647   12.965   49.297   14.659 -7.649643 19.57005 
1 1 1   18    4   75 o   33.576   8.8016   7.3963   5.3706   9.2937   7.6295   5.5325   7.5614   35.844   12.632   31.308   12.260 4.536669 17.60311 
1 1 1   18    4   76 o   38.720   8.7035   10.936   5.6368   4.0748   8.0021   17.693   7.9416   30.163   12.333   47.277   12.284 -17.11475 17.40694 
1 1 1   18    4   77 o   35.428   9.9017   6.3354   6.6027   13.507   11.997   3.2190   7.9083   41.758   15.666   29.098   12.114 12.66023 19.80350 
1 1 1   18    4   78 o   63.626   8.0382   31.117   6.7736   34.430   9.9127   28.215   9.2774   67.470   10.842   59.782   11.871 7.688305 16.07648 
1 1 1   18    4   79 o   41.222   9.5894   14.048   6.2121   13.147   9.1442   14.820   8.4656   40.133   13.848   42.311   13.268 -2.177158 19.17872 
1 1 1   18    4   80 o   64.067   8.0887   32.491   6.8254   31.051   10.045   33.726   9.3025   61.629   12.457   66.505   10.322 -4.876244 16.17746 
1 1 1   18    4   81 o   64.721   8.2834   33.868   7.0607   30.938   10.228   36.536   9.7592   60.731   12.830   68.710   10.481 -7.978672 16.56687 
1 1 1   18    4   82 o   33.697   9.7776   5.3447   6.7790   15.478   12.221   0.8413   8.1474   41.038   15.715   26.357   11.638 14.68135 19.55516 
1 1 1   18    4   83 o   24.512   8.0279  -3.5978   6.4785 -12.1781   11.076   0.8638   7.9871   23.123   11.230   25.901   11.475 -2.778362 16.05573 
1 1 1   18    5    0 f  665.430   9.6746  3023.96   82.899  2948.93  140.355  3064.16  102.733  658.840   15.720  672.020   11.281 -13.17993 19.34921 
1 1 1   18    5    1 o  759.163   10.786  3908.53  104.813  3895.43  128.519  3934.54  181.118  757.581   12.519  760.744   17.569 -3.163208 21.57261 
1 1 1   18    5    2 o  882.922   14.339  5294.10  171.567   0.0000   0.0000  5294.10  171.567  ?   ?   882.922   14.339      ?      ? 
1 1 1   18    5    3 o  938.561   12.393  5954.66  135.474  6058.14  275.024  5921.50  155.671  943.082   21.520  934.040   12.299 9.041992 24.78630 
1 1 1   18    5    4 o  921.966   12.243  5875.42  133.854  5580.44  259.893  5981.92  156.158  905.154   21.188  938.777   12.275 -33.62219 24.48679 
1 1 1   18    5    5 o  184.900   5.0013  229.248   10.134  236.110   22.494  227.501   11.351  186.584   8.8965  183.215   4.5720 3.369461 10.00254 
1 1 1   18    5    6 o  675.179   9.9218  3118.05   85.877  3028.37  146.587  3164.92  105.966  667.462   16.206  682.895   11.451 -15.43347 19.84350 
1 1 1   18    5    7 o  351.268   7.4768  836.656   35.574  819.520   49.385  855.138   51.287  347.536   10.486  355.000   10.661 -7.463623 14.95359 
1 1 1   18    5    8 o  677.722   11.524  3121.97  105.815  3076.75  147.774  3169.55  151.588  672.700   16.210  682.744   16.384 -10.04395 23.04819 
1 1 1   18    5    9 o  436.794   8.4147  1293.47   49.765  1369.90   71.742  1222.58   69.091  449.223   11.785  424.365   12.014 24.85757 16.82941 
1 1 1   18    5   10 o  311.036   7.0747  656.641   29.809  670.399   41.917  642.564   42.400  314.341   9.8402  307.732   10.168 6.608734 14.14949 
1 1 1   18    5   11 o  316.978   7.1355  680.849   30.588  744.411   44.089  621.866   42.471  331.234   9.8223  302.722   10.353 28.51181 14.27103 
1 1 1   18    5   12 o  416.646   8.1555  1176.41   46.000  1133.32   63.321  1224.56   66.936  408.589   11.436  424.703   11.630 -16.11420 16.31108 
1 1 1   18    5   13 o  608.805   10.576  2519.51   87.241  2570.16  124.221  2470.20  122.551  614.849   14.909  602.761   15.003 12.08789 21.15127 
1 1 1   18    5   14 o  573.157   10.099  2232.70   78.427  2281.46  111.699  2185.28  110.142  579.335   14.228  566.978   14.335 12.35663 20.19718 
1 1 1   18    5   15 o  403.734   8.0097  1106.31   43.808  1087.14   61.027  1126.69   62.925  400.133   11.255  407.336   11.400 -7.202484 16.01935 
1 1 1   18    5   16 o  1109.34   15.397  8429.29  218.759  8342.96  375.712  8473.56  269.074  1103.50   25.125  1115.17   17.805 -11.67358 30.79402 
1 1 1   18    5   17 o  619.966   7.4900  2609.67   62.925  2631.57   89.259  2588.04   88.723  622.553   10.580  617.379   10.605 5.173767 14.97999 
1 1 1   18    5   18 o  261.114   4.4469  462.137   15.732  452.664   21.972  472.100   22.535  258.370   6.2754  263.858   6.3024 -5.487610 8.893818 
1 1 1   18    5   19 o  162.022   4.0044  177.719   8.7800  164.942   12.181  191.535   12.667  155.969   5.7632  168.076   5.5613 -12.10715 8.008895 
1 1 1   18    5   20 o  116.761   4.0586   92.408   6.4125   85.723   8.9638   99.414   9.1771  112.436   5.8831  121.086   5.5928 -8.650772 8.117295 
1 1 1   18    5   21 o  507.117   6.4149  1744.12   44.061  1813.51   63.481  1679.61   61.204  516.841   9.0637  497.394   9.0803 19.44699 12.82971 
1 1 1   18    5   22 o  674.113   8.0146  3088.93   73.211  3067.58  102.919  3110.81  104.164  671.760   11.306  676.466   11.363 -4.705566 16.02921 
1 1 1   18    5   23 o  567.103   6.9790  2184.83   53.633  2178.45   75.543  2191.31   76.158  566.272   9.8443  567.935   9.8954 -1.662415 13.95809 
1 1 1   18    5   24 o  209.348   4.1886  296.849   11.875  284.916   16.442  309.858   17.168  204.956   5.9200  213.739   5.9271 -8.782730 8.377163 
1 1 1   18    5   25 o  355.382   5.1195  856.729   24.648  840.832   34.364  873.572   35.373  351.991   7.2043  358.773   7.2756 -6.781799 10.23896 
1 1 1   18    5   26 o  270.793   6.4984  497.277   23.731  488.944   31.906  507.595   35.504  268.292   8.7756  273.295   9.5867 -5.002808 12.99674 
1 1 1   18    5   27 f  409.149   6.7526  1138.79   35.578  1134.82   60.563  1140.89   43.963  408.402   10.943  409.897   7.9147 -1.494873 13.50529 
1 1 1   18    5   28 o  340.401   6.0624  785.131   26.605  794.063   45.346  780.441   32.854  341.735   9.7920  339.068   7.1503 2.666473 12.12475 
1 1 1   18    5   29 o  620.521   7.5144  2620.37   63.187  2635.19   89.372  2605.56   89.348  622.283   10.598  618.760   10.656 3.523682 15.02874 
1 1 1   18    5   30 o  249.260   4.4194  421.810   14.922  430.114   20.952  413.262   21.257  251.758   6.1413  246.763   6.3568 4.994919 8.838768 
1 1 1   18    5   31 o  430.105   7.1397  1279.54   39.567  1189.80   66.010  1329.86   49.431  417.830   11.658  442.380   8.2456 -24.55042 14.27939 
1 1 1   18    5   32 f  160.280   6.1951  174.541   13.402  173.277   18.128  176.064   19.903  159.665   8.3783  160.896   9.1281 -1.231613 12.39029 
1 1 1   18    5   33 f  288.215   5.7334  553.223   21.077  597.962   37.284  532.211   25.552  296.467   9.2804  279.962   6.7350 16.50504 11.46673 
1 1 1   18    5   34 o  320.822   4.9116  699.069   21.345  725.198   30.328  673.424   30.047  326.773   6.8489  314.871   7.0417 11.90167 9.823111 
1 1 1   18    5   35 o  385.879   6.5117  1002.28   32.058  981.136   39.020  1046.19   56.234  379.960   7.5782  391.797   10.591 -11.83676 13.02333 
1 1 1   18    5   36 f  228.442   5.2162  357.616   15.332  364.388   19.013  345.026   25.924  231.670   6.0563  225.213   8.4944 6.457031 10.43231 
1 1 1   18    5   37 o  282.010   4.6935  540.567   17.925  553.561   25.108  527.059   25.599  285.484   6.4901  278.536   6.7820 6.948517 9.387062 
1 1 1   18    5   38 o  115.466   4.3919   90.527   6.8614   90.231   9.4373   90.859   9.9936  115.273   6.0414  115.659   6.3762 -0.3857117 8.783730 
1 1 1   18    5   39 o  325.934   4.9717  720.711   21.937  692.224   30.213  752.475   31.903  319.141   6.9861  332.727   7.0756 -13.58621 9.943335 
1 1 1   18    5   40 o  206.496   4.3151  289.064   12.062  277.789   16.589  301.710   17.569  202.237   6.0531  210.756   6.1514 -8.519272 8.630142 
1 1 1   18    5   41 o  602.346   7.4064  2463.76   60.296  2683.34   89.143  2278.59   81.863  626.947   10.492  577.745   10.456 49.20135 14.81286 
1 1 1   18    5   42 o  376.120   5.3698  962.548   27.366  981.197   38.717  943.930   38.685  379.775   7.5230  372.464   7.6643 7.310394 10.73951 
1 1 1   18    5   43 o  109.487   6.0109   79.200   7.8661   76.584   9.1036   86.909   15.627  106.157   6.3283  112.817   10.221 -6.660362 12.02178 
1 1 1   18    5   44 o  391.404   5.5217  1042.47   29.276  1027.83   40.746  1058.10   42.093  388.581   7.7379  394.227   7.8792 -5.645660 11.04340 
1 1 1   18    5   45 o  165.624   4.3463  185.725   9.7365  173.840   13.297  199.464   14.296  159.934   6.1352  171.314   6.1580 -11.38014 8.692629 
1 1 1   18    5   46 o  206.252   4.4152  289.484   12.322  307.585   17.413  271.330   17.438  212.738   6.0400  199.766   6.4416 12.97215 8.830415 
1 1 1   18    5   47 o  309.729   4.9319  652.531   20.688  684.100   29.542  622.145   28.982  317.097   6.8748  302.362   7.0733 14.73566 9.863768 
1 1 1   18    5   48 o  209.684   5.5549  304.643   14.927  283.469   25.186  316.107   18.532  203.769   9.1209  215.599   6.3431 -11.83017 11.10977 
1 1 1   18    5   49 o  248.957   6.5871  421.706   22.223   0.0000   0.0000  421.706   22.223  ?   ?   248.957   6.5871      ?      ? 
1 1 1   18    5   50 o  142.524   5.4095  137.607   9.9684  141.296   16.943  135.654   12.328  143.853   8.6912  141.195   6.4430 2.657867 10.81893 
1 1 1   18    5   51 o   51.419   7.5942   18.860   5.1167   20.078   7.0914   17.537   7.3901   53.269   10.195   49.569   11.258 3.700062 15.18841 
1 1 1   18    5   52 o  317.094   5.0533  685.209   21.702  717.719   30.960  653.802   30.430  324.515   7.0401  309.673   7.2512 14.84164 10.10661 
1 1 1   18    5   53 o  354.763   5.3325  856.935   25.595  927.279   37.140  793.305   35.323  368.632   7.4347  340.894   7.6463 27.73788 10.66493 
1 1 1   18    5   54 o   96.991   5.1885   64.277   6.8106   65.403   9.4445   63.057   9.8306   97.898   7.1190   96.085   7.5499 1.813683 10.37697 
1 1 1   18    5   55 o  133.315   5.5209  123.571   9.4927  128.594   11.881  114.704   15.785  137.330   6.3842  129.299   9.0090 8.030991 11.04172 
1 1 1   18    5   56 o  110.078   5.5839   78.717   8.0382   67.849   9.9076   99.650   13.750   99.610   7.3398  120.545   8.4170 -20.93465 11.16775 
1 1 1   18    5   57 o  109.868   4.8792   82.745   7.2357   91.026   10.222   74.431   10.243  115.442   6.5343  104.294   7.2477 11.14811 9.758422 
1 1 1   18    5   58 o   81.892   5.7169   46.333   6.3012   51.507   8.8064   40.905   9.0201   86.682   7.4969   77.102   8.6330 9.579765 11.43384 
1 1 1   18    5   59 o   85.450   8.5563   58.942   7.9117   67.323   9.3699   38.125   14.768   99.125   6.9754   71.774   15.626 27.35061 17.11259 
1 1 1   18    5   60 o   69.943   8.6094   36.678   7.0218   38.934   8.3289   31.137   13.056   75.164   8.1770   64.721   15.153 10.44286 17.21880 
1 1 1   18    5   61 o  141.454   4.6446  136.781   8.8821  124.368   12.212  150.720   12.942  134.630   6.6938  148.277   6.4406 -13.64713 9.289189 
1 1 1   18    5   62 o  108.942   5.0029   81.602   7.3671   73.913   10.248   89.826   10.598  103.582   7.3006  114.303   6.8422 -10.72158 10.00576 
1 1 1   18    5   63 o   99.669   5.1647   68.643   6.9467   61.014   9.7466   76.520   9.9035   93.944   7.6561  105.395   6.9341 -11.45087 10.32940 
1 1 1   18    5   64 o  145.607   5.8032  146.697   10.708  149.247   18.871  145.487   13.004  145.889   9.5452  145.324   6.6030 0.5655975 11.60650 
1 1 1   18    5   65 o   67.374   7.0475   33.492   5.9157   20.932   8.3271   46.291   8.4056   53.081   11.874   81.667   7.5953 -28.58593 14.09506 
1 1 1   18    5   66 o   99.064   6.6805   74.029   8.2115   54.412   13.513   85.514   10.340   86.997   11.462  111.131   6.8658 -24.13471 13.36095 
1 1 1   18    5   67 o   84.272   5.7422   49.865   6.4848   40.965   9.0383   59.308   9.3096   76.282   8.7434   92.262   7.4461 -15.98013 11.48439 
1 1 1   18    5   68 o  147.031   5.7965  153.710   10.989  145.751   18.336  158.170   13.727  143.154   9.4519  150.909   6.7124 -7.754410 11.59290 
1 1 1   18    5   69 o   97.880   7.6311   70.770   9.7571   50.624   13.830   90.732   13.767   82.746   12.334  113.013   8.9894 -30.26727 15.26216 
1 1 1   18    5   70 o  101.136   7.5208   71.816   10.308   0.0000   0.0000   71.816   10.308  ?   ?   101.136   7.5208      ?      ? 
1 1 1   18    5   71 o   62.009   8.1252   27.611   6.5756   22.984   8.3468   35.181   10.676   54.950   11.575   69.068   11.406 -14.11770 16.25039 
1 1 1   18    5   72 o   89.952   5.7202   57.439   6.9651   58.545   9.6919   56.259   10.016   90.959   7.8628   88.945   8.3102 2.013817 11.44042 
1 1 1   18    5   73 o   75.805   6.3767   41.318   6.4454   32.504   8.8893   51.089   9.3592   66.876   9.8088   84.735   8.1507 -17.85889 12.75333 
1 1 1   18    5   74 o  110.006   6.7574   85.864   9.1770   82.932   10.873   93.124   17.111  108.301   7.4086  111.711   11.303 -3.410301 13.51478 
1 1 1   18    5   75 o   70.486   6.8645   36.548   6.4866   41.941   9.1291   31.048   9.2185   76.215   8.8391   64.757   10.505 11.45795 13.72893 
1 1 1   18    5   76 o   63.020   7.7553   30.494   6.3778   25.415   9.1935   35.206   8.8551   56.671   12.323   69.369   9.4198 -12.69847 15.51058 
1 1 1   18    5   77 o   45.452   8.6786   16.894   6.0197   7.8088   8.8108   24.847   8.2437   34.373   13.296   56.531   11.157 -22.15795 17.35720 
1 1 1   18    5   78 o   33.029   9.5042   6.2223   6.7034  -0.3906   12.442   8.9272   7.9570   31.194   14.035   34.864   12.820 -3.670076 19.00844 
1 1 1   18    5   79 o  118.421   7.6989  101.489   12.355   0.0000   0.0000  101.489   12.355  ?   ?   118.421   7.6989      ?      ? 
1 1 1   18    5   80 f   44.124   8.9421   17.668   7.1566  -1.1933   12.222   27.509   8.8282   29.902   13.634   58.347   11.574 -28.44437 17.88421 
1 1 1   18    5   81 o   39.286   8.0916   10.462   7.0639 -19.0790   11.995   26.145   8.7402   22.354   11.026   56.218   11.846 -33.86358 16.18329 
1 1 1   18    5   82 o   31.241   9.8662   2.9363   8.5129   2.0761   11.772   3.8793   12.325   30.501   13.694   31.981   14.207 -1.480440 19.73235 
1 1 1   18    5   83 o   47.687   17.202   25.503   14.230   0.0000   0.0000   25.503   14.230  ?   ?    47.687   17.202      ?      ? 
1 1 1   18    6    0 o  713.540   8.4268  3453.03   81.447  3555.73  117.317  3357.48  113.162  723.769   11.961  703.312   11.873 20.45642 16.85368 
1 1 1   18    6    1 o  409.271   5.5833  1135.76   30.965  1125.39   43.553  1146.35   44.032  407.384   7.8892  411.158   7.9027 -3.774475 11.16656 
1 1 1   18    6    2 o  204.819   5.9488  284.375   16.511  284.375   16.511   0.0000   0.0000  204.819   5.9488  ?   ?       ?      ? 
1 1 1   18    6    3 o  529.549   8.2599  1926.37   55.980  1832.64   95.351  1975.67   69.152  519.436   13.546  539.662   9.4558 -20.22638 16.51990 
1 1 1   18    6    4 o  608.380   10.509  2511.60   86.639   0.0000   0.0000  2511.60   86.639  ?   ?   608.380   10.509      ?      ? 
1 1 1   18    6    6 o  963.525   22.087  6333.31  288.386  6333.31  288.386   0.0000   0.0000  963.525   22.087  ?   ?       ?      ? 
1 1 1   18    6    7 o  494.499   9.1670  1660.32   61.412  1640.68   85.669  1681.08   88.081  491.501   12.862  497.498   13.065 -5.997192 18.33391 
1 1 1   18    6    8 o  335.115   7.3987  759.949   33.547  722.761   45.902  802.585   49.148  326.345   10.379  343.886   10.547 -17.54053 14.79733 
1 1 1   18    6    9 o  756.198   12.657  3890.26  129.653  4021.06  186.538  3768.01  180.334  768.482   17.912  743.914   17.888 24.56824 25.31491 
1 1 1   18    6   10 o  574.101   10.169  2240.56   79.112  2264.21  111.939  2216.96  111.823  577.137   14.313  571.066   14.450 6.071106 20.33834 
1 1 1   18    6   11 o  158.762   6.5491  170.060   14.048  154.594   19.100  188.287   20.735  150.941   9.3379  166.583   9.1852 -15.64235 13.09829 
1 1 1   18    6   12 f  291.593   6.9489  576.932   27.448  572.151   38.243  582.012   39.420  290.352   9.7194  292.833   9.9338 -2.480804 13.89774 
1 1 1   18    6   13 o  552.259   9.8500  2073.76   73.712  2072.83  103.704  2074.71  104.794  552.143   13.860  552.375   14.000 -0.2317505 19.69998 
1 1 1   18    6   14 o  503.952   9.2329  1722.07   62.967  1644.53   86.332  1810.21   92.039  491.873   12.952  516.030   13.162 -24.15686 18.46579 
1 1 1   18    6   15 o  328.832   7.2473  734.296   32.281  737.787   45.060  730.616   46.268  329.646   10.087  328.018   10.409 1.627686 14.49457 
1 1 1   18    6   16 o  642.747   11.059  2812.69   96.311  2884.61  137.599  2743.61  134.851  650.807   15.602  634.687   15.679 16.11993 22.11888 
1 1 1   18    6   17 f  431.292   8.3467  1263.93   48.766  1251.75   67.934  1276.88   70.044  429.162   11.681  433.421   11.926 -4.258881 16.69338 
1 1 1   18    6   18 f  603.788   10.534  2481.83   86.159  2438.25  119.912  2528.35  123.879  598.334   14.789  609.242   15.005 -10.90784 21.06782 
1 1 1   18    6   19 o  561.383   9.9823  2138.79   75.798  2028.30  103.411  2267.07  111.427  545.794   13.982  576.971   14.251 -31.17676 19.96455 
1 1 1   18    6   20 o  630.715   15.519  2712.64  132.640   0.0000   0.0000  2712.64  132.640  ?   ?   630.715   15.519      ?      ? 
1 1 1   18    6   21 o  316.961   5.7600  677.079   23.629  698.421   40.130  665.753   29.234  320.672   9.2347  313.250   6.8869 7.422791 11.51994 
1 1 1   18    6   22 o  251.569   5.2430  433.662   17.202  413.830   28.149  445.484   21.732  246.875   8.4139  256.263   6.2581 -9.388580 10.48605 
1 1 1   18    6   23 o  561.289   6.9403  2141.16   52.788  2158.79   74.683  2123.55   74.625  563.605   9.7783  558.973   9.8517 4.632263 13.88058 
1 1 1   18    6   24 o  333.362   4.9565  754.271   22.387  772.847   31.709  735.812   31.610  337.460   6.9340  329.264   7.0844 8.196411 9.913033 
1 1 1   18    6   25 o  434.013   5.7788  1278.86   33.979  1259.95   47.405  1298.83   48.729  430.722   8.1216  437.305   8.2229 -6.583282 11.55751 
1 1 1   18    6   26 o  256.564   4.4538  446.832   15.475  465.900   21.905  427.834   21.865  262.038   6.1688  251.090   6.4259 10.94804 8.907647 
1 1 1   18    6   27 o  311.216   4.8122  657.241   20.288  649.776   28.280  665.158   29.123  309.400   6.7448  313.031   6.8655 -3.630768 9.624335 
1 1 1   18    6   28 o  319.253   7.1594  693.242   30.940  688.325   42.705  698.675   44.889  318.090   9.9071  320.416   10.338 -2.325775 14.31885 
1 1 1   18    6   29 o  259.022   6.6610  456.001   23.334  451.318   31.934  461.367   34.180  257.624   9.1470  260.420   9.6854 -2.795868 13.32194 
1 1 1   18    6   30 o  433.369   7.0354  1294.14   39.343  1332.97   49.101  1224.50   65.755  442.875   8.1815  423.863   11.448 19.01111 14.07085 
1 1 1   18    6   31 o  334.948   6.0022  764.830   25.854  769.417   31.935  756.105   44.044  336.591   7.0013  333.305   9.7512 3.285889 12.00436 
1 1 1   18    6   32 o  230.639   5.1047  356.940   15.142  347.733   18.561  375.253   26.179  226.336   6.0516  234.942   8.2225 -8.605881 10.20938 
1 1 1   18    6   33 o  135.243   4.1717  123.194   7.6136  109.821   10.291  139.367   11.317  127.194   5.9702  143.292   5.8281 -16.09819 8.343322 
1 1 1   18    6   34 o  268.436   5.6242  485.409   19.307  503.489   33.663  476.546   23.568  271.981   9.1333  264.892   6.5657 7.088837 11.24834 
1 1 1   18    6   35 o  264.738   4.5467  476.253   16.301  495.020   23.009  457.344   23.096  269.990   6.2889  259.486   6.5681 10.50433 9.093382 
1 1 1   18    6   36 o  115.014   4.3123   89.936   6.7094   91.962   9.2828   87.720   9.7087  116.381   5.8859  113.648   6.3040 2.732948 8.624639 
1 1 1   18    6   37 o  442.094   5.9006  1329.91   35.345  1324.74   49.512  1335.27   50.471  441.233   8.2806  442.955   8.4082 -1.721344 11.80110 
1 1 1   18    6   38 o  292.106   4.7607  579.917   18.827  612.526   26.777  548.036   26.477  300.247   6.5813  283.965   6.8806 16.28192 9.521312 
1 1 1   18    6   39 o  435.981   5.8639  1292.53   34.621  1360.56   49.797  1228.88   48.167  447.091   8.2191  424.870   8.3658 22.22119 11.72776 
1 1 1   18    6   40 o  205.046   4.3269  285.475   12.009  282.620   16.555  288.647   17.447  203.976   5.9891  206.117   6.2465 -2.140701 8.653749 
1 1 1   18    6   41 o  223.159   4.3982  337.844   13.288  326.073   18.316  350.922   19.307  219.067   6.1700  227.251   6.2695 -8.183746 8.796307 
1 1 1   18    6   42 o  417.185   5.7147  1185.12   32.304  1208.68   45.793  1161.79   45.577  421.327   8.0205  413.043   8.1427 8.284332 11.42940 
1 1 1   18    6   43 o   68.399   5.6934   31.863   5.2726   31.881   7.3072   31.843   7.6156   68.427   7.8803   68.372   8.2195 0.5503845E-01 11.38678 
1 1 1   18    6   44 o  281.595   4.7394  539.353   18.079  557.527   25.608  521.295   25.526  286.341   6.5995  276.849   6.8040 9.491577 9.478821 
1 1 1   18    6   45 o  238.789   6.5228  387.259   21.014  370.333   28.186  408.439   31.530  232.998   8.9270  244.581   9.5130 -11.58217 13.04557 
1 1 1   18    6   46 o  193.815   5.3216  257.057   13.346  251.512   22.375  260.119   16.628  192.037   8.5979  195.593   6.2732 -3.556366 10.64315 
1 1 1   18    6   47 o  121.755   4.5464  101.048   7.4826  104.834   10.351   96.903   10.829  124.169   6.1516  119.341   6.6961 4.827995 9.092875 
1 1 1   18    6   48 o  108.712   4.7497   79.488   6.9276   65.252   9.3055   97.189   10.376   97.898   7.0142  119.525   6.4061 -21.62648 9.499325 
1 1 1   18    6   49 o  133.660   4.5122  121.770   8.1554  125.521   11.284  117.668   11.800  135.841   6.1301  131.480   6.6227 4.360947 9.024322 
1 1 1   18    6   50 o  257.658   5.7266  450.529   18.945  461.269   32.650  445.077   23.261  259.666   9.2787  255.650   6.7141 4.015320 11.45312 
1 1 1   18    6   51 o  181.104   5.5532  227.620   12.893  211.962   21.739  236.115   16.012  175.986   9.1155  186.221   6.3452 -10.23523 11.10646 
1 1 1   18    6   52 o   84.665   6.1029   47.589   6.7361   44.053   8.3191   54.320   11.479   80.324   7.6428   89.007   9.5167 -8.683258 12.20570 
1 1 1   18    6   53 o   62.437   6.3368   26.886   5.3196   28.389   7.2201   25.101   7.8675   64.410   8.2719   60.464   9.6020 3.946739 12.67370 
1 1 1   18    6   54 o  141.005   4.5456  135.041   8.6676  126.156   11.817  145.389   12.753  136.008   6.4113  146.002   6.4455 -9.994827 9.091124 
1 1 1   18    6   55 o  110.606   4.8175   83.356   7.2118   78.637   9.9223   88.641   10.500  107.294   6.8243  113.918   6.8018 -6.624184 9.635092 
1 1 1   18    6   56 o  149.473   4.5916  152.985   9.2422  174.449   13.179  132.215   12.964  159.888   6.0826  139.057   6.8798 20.83098 9.183125 
1 1 1   18    6   57 o   52.429   8.0581   19.769   5.5535   18.626   7.5922   21.085   8.1445   50.791   11.320   54.067   11.471 -3.276253 16.11620 
1 1 1   18    6   58 o  136.645   4.6738  127.972   8.6433  132.767   12.083  122.948   12.369  139.313   6.4003  133.977   6.8127 5.335739 9.347586 
1 1 1   18    6   59 o  104.499   5.0394   74.861   7.1291   70.369   9.8962   79.708   10.279  101.228   7.2141  107.770   7.0383 -6.542175 10.07875 
1 1 1   18    6   60 o  186.591   4.5284  238.475   11.444  232.679   15.863  244.765   16.526  184.246   6.3534  188.936   6.4546 -4.689606 9.056874 
1 1 1   18    6   61 o   57.288   9.2021   23.712   6.4344   23.625   7.5051   23.952   12.500   58.218   9.5130   56.358   15.755 1.859314 18.40411 
1 1 1   18    6   62 o  105.162   5.0432   76.479   7.1577   84.116   10.107   68.796   10.138  110.540   6.7474   99.785   7.4971 10.75565 10.08633 
1 1 1   18    6   63 o  136.884   5.5124  124.073   9.8214  151.218   16.952  110.359   12.050  147.350   8.4897  126.418   7.0337 20.93230 11.02488 
1 1 1   18    6   64 o   34.385   8.5817   7.7196   4.9799   7.5010   6.9396   7.9516   7.1502   33.998   12.040   34.771   12.232 -0.7721176 17.16331 
1 1 1   18    6   65 o  154.358   4.7898  164.840   10.003  177.744   14.317  152.534   13.981  160.344   6.5890  148.371   6.9537 11.97351 9.579650 
1 1 1   18    6   66 o  110.031   6.3662   84.701   8.9725   87.744   15.531   83.177   10.993  110.799   10.344  109.263   7.4241 1.535690 12.73240 
1 1 1   18    6   67 o  158.826   4.7114  175.039   10.127  187.672   14.514  163.053   14.137  164.493   6.5110  153.158   6.8116 11.33562 9.422895 
1 1 1   18    6   68 o   31.626   8.9093   4.5101   5.6346   3.0741   7.2289   6.7331   8.9945   28.724   11.731   34.528   13.412 -5.803226 17.81862 
1 1 1   18    6   69 o  100.625   6.3093   71.780   8.2248   70.987   10.225   73.233   13.843  100.557   7.5037  100.693   10.145 -0.1357574 12.61856 
1 1 1   18    6   70 o  118.555   5.0809   98.553   8.1616   97.173   11.424   99.991   11.665  117.721   7.1609  119.389   7.2099 -1.667259 10.16174 
1 1 1   18    6   71 o   81.802   7.0048   46.879   7.4952   54.980   12.695   42.544   9.2866   86.517   10.828   77.086   8.8899 9.430779 14.00969 
1 1 1   18    6   72 o   86.670   7.8377   55.594   9.2039   56.672   13.158   54.562   12.879   87.482   11.099   85.858   11.069 1.623543 15.67548 
1 1 1   18    6   73 o   77.056   6.2635   42.732   6.5396   41.924   9.2350   43.544   9.2619   76.287   8.9331   77.825   8.7821 -1.537689 12.52701 
1 1 1   18    6   74 o   77.142   6.3401   43.134   6.5383   51.914   9.3986   34.899   9.1017   85.198   8.1404   69.085   9.7221 16.11382 12.68013 
1 1 1   18    6   75 o   48.483   8.9869   18.941   6.0138   16.498   8.6293   21.248   8.3855   45.157   13.242   51.809   12.154 -6.652607 17.97386 
1 1 1   18    6   76 o   51.094   8.0527   23.299   7.2982   39.688   9.1724  -4.9773   12.048   73.590   9.1977   28.598   13.221 44.99176 16.10540 
1 1 1   18    6   77 o   31.686   9.3689   2.8533   6.4262   10.320   11.295  -0.7200   7.8140   37.963   14.948   25.410   11.299 12.55224 18.73782 
1 1 1   18    6   78 o   93.658   7.3714   64.133   8.9099   76.007   15.559   58.340   10.868   98.564   11.649   88.752   9.0366 9.812454 14.74289 
1 1 1   18    6   79 o   30.017   9.6217  -0.5557   8.4501  -0.4397   11.779  -0.6787   12.129   29.913   13.539   30.122   13.675 -0.2095947 19.24339 
1 1 1   18    6   80 o   57.926   17.034   33.397   14.261   0.0000   0.0000   33.397   14.261  ?   ?    57.926   17.034      ?      ? 
1 1 1   18    7    0 f  376.174   7.5761  959.598   38.620  959.598   38.620   0.0000   0.0000  376.174   7.5761  ?   ?       ?      ? 
1 1 1   18    7    1 o  590.009   7.2397  2361.18   57.870  2311.04   80.736  2414.17   82.991  583.572   10.209  596.446   10.268 -12.87360 14.47950 
1 1 1   18    7    2 o  496.365   6.3576  1670.87   42.757  1707.42   61.095  1635.78   59.858  501.684   8.9865  491.046   8.9953 10.63721 12.71510 
1 1 1   18    7    3 o  859.917   12.218  5047.92  134.309  4988.96  231.550  5077.81  164.881  855.461   19.974  864.373   14.076 -8.911194 24.43552 
1 1 1   18    7    4 o  462.616   8.8372  1453.52   55.394  1445.28   77.626  1462.07   79.071  461.287   12.418  463.945   12.577 -2.658356 17.67438 
1 1 1   18    7    5 o  316.283   7.3035  678.571   31.285  712.288   44.793  646.460   43.714  323.955   10.203  308.610   10.453 15.34528 14.60707 
1 1 1   18    7    6 o  421.838   8.3445  1207.27   47.672  1265.78   68.592  1152.59   66.304  431.723   11.724  411.954   11.877 19.76859 16.68892 
1 1 1   18    7    7 o  447.991   8.6417  1363.33   52.458  1387.04   74.401  1339.90   73.976  451.871   12.150  444.111   12.292 7.759644 17.28336 
1 1 1   18    7    8 o  141.041   7.0107  135.042   13.394  139.815   18.987  130.314   18.898  143.526   9.7620  138.555   10.065 4.970215 14.02141 
1 1 1   18    7    9 f  424.481   11.976  1224.13   68.891   0.0000   0.0000  1224.13   68.891  ?   ?   424.481   11.976      ?      ? 
1 1 1   18    7   11 o  587.858   14.770  2351.88  117.659   0.0000   0.0000  2351.88  117.659  ?   ?   587.858   14.770      ?      ? 
1 1 1   18    7   12 o  281.571   10.049  538.344   38.343   0.0000   0.0000  538.344   38.343  ?   ?   281.571   10.049      ?      ? 
1 1 1   18    7   13 o  647.237   15.893  2854.41  139.395   0.0000   0.0000  2854.41  139.395  ?   ?   647.237   15.893      ?      ? 
1 1 1   18    7   14 o  305.723   10.281  634.862   42.595   0.0000   0.0000  634.862   42.595  ?   ?   305.723   10.281      ?      ? 
1 1 1   18    7   15 o  107.953   7.3444   78.207   10.677   68.609   14.251   90.489   16.121  100.492   10.465  115.414   10.307 -14.92204 14.68877 
1 1 1   18    7   16 f  241.136   6.6408  394.909   21.677  395.549   29.987  394.208   31.373  241.353   9.1683  240.918   9.6095 0.4349976 13.28159 
1 1 1   18    7   17 o  241.195   6.6103  394.138   21.570  379.099   29.483  411.457   31.639  236.265   9.2084  246.124   9.4861 -9.859421 13.22052 
1 1 1   18    7   18 o  393.456   7.9769  1049.05   42.444  996.483   57.798  1110.57   62.531  382.814   11.142  404.098   11.419 -21.28351 15.95388 
1 1 1   18    7   19 o  530.769   9.6264  1917.23   69.183  1866.14   95.529  1973.57  100.327  523.374   13.469  538.165   13.757 -14.79114 19.25274 
1 1 1   18    7   20 o  194.734   6.4402  257.003   16.946  249.953   22.982  265.404   25.088  191.829   8.8407  197.640   9.3672 -5.810364 12.88032 
1 1 1   18    7   21 o  424.242   8.3064  1224.11   47.718  1201.12   65.975  1249.32   69.100  420.095   11.589  428.389   11.903 -8.293579 16.61290 
1 1 1   18    7   22 o  139.673   6.6033  130.357   12.386  115.975   16.247  150.312   19.138  130.637   9.1776  148.709   9.4966 -18.07152 13.20655 
1 1 1   18    7   23 o  404.748   7.0081  1122.60   35.685  1137.59   43.247  1090.64   63.166  409.290   7.7973  400.206   11.647 9.084564 14.01619 
1 1 1   18    7   24 o  452.234   12.054  1393.49   73.872  1393.49   73.872   0.0000   0.0000  452.234   12.054  ?   ?       ?      ? 
1 1 1   18    7   25 o  348.673   6.0635  822.228   27.184  813.805   33.437  838.651   46.688  346.210   7.1269  351.135   9.8118 -4.924469 12.12699 
1 1 1   18    7   26 f  283.152   5.4178  534.804   19.704  515.081   24.064  574.932   34.326  275.475   6.4462  290.830   8.7097 -15.35535 10.83569 
1 1 1   18    7   27 o  256.067   4.4398  445.151   15.401  449.168   21.553  440.959   22.014  257.254   6.1824  254.879   6.3737 2.374939 8.879517 
1 1 1   18    7   28 o  302.311   4.7473  620.687   19.443  633.951   27.408  607.248   27.586  305.572   6.6188  299.050   6.8072 6.522278 9.494523 
1 1 1   18    7   29 o  247.443   4.4041  415.813   14.761  423.542   20.690  407.802   21.065  249.794   6.1123  245.092   6.3423 4.702194 8.808202 
1 1 1   18    7   30 o  130.182   5.7454  117.122   8.6748  118.974   10.003  111.503   17.423  132.407   5.5747  127.958   10.048 4.449356 11.49081 
1 1 1   18    7   31 o  240.495   5.7163  400.491   16.906  411.107   20.209  375.735   30.860  246.083   6.0600  234.906   9.6943 11.17696 11.43251 
1 1 1   18    7   32 o  215.327   4.2923  315.191   12.493  342.571   17.729  288.189   17.607  224.644   5.8239  206.010   6.3068 18.63388 8.584562 
1 1 1   18    7   33 o  417.557   5.6861  1183.52   32.139  1262.49   46.517  1111.39   44.455  430.874   7.9667  404.241   8.1152 26.63278 11.37211 
1 1 1   18    7   34 o  203.272   4.2681  279.986   11.742  269.292   16.114  292.094   17.145  199.147   5.9709  207.397   6.1005 -8.250580 8.536228 
1 1 1   18    7   35 o  476.347   7.6625  1555.50   46.761  1527.43   80.108  1570.02   57.591  472.497   12.511  480.197   8.8501 -7.700195 15.32491 
1 1 1   18    7   36 o  174.760   5.2278  204.767   11.694  216.442   20.440  199.086   14.259  178.316   8.4586  171.204   6.1460 7.112228 10.45565 
1 1 1   18    7   37 o  259.042   4.5655  455.188   15.969  511.167   23.090  403.868   22.108  274.309   6.2116  243.775   6.6925 30.53479 9.130901 
1 1 1   18    7   38 o  457.498   6.0510  1424.84   37.503  1475.35   53.612  1376.44   52.481  465.451   8.4997  449.546   8.6148 15.90475 12.10209 
1 1 1   18    7   39 o   84.392   4.9646   48.212   5.6644   45.103   7.7014   51.877   8.3605   81.443   6.9780   87.341   7.0637 -5.898087 9.929111 
1 1 1   18    7   40 o  152.406   4.3340  158.378   8.9187  170.585   12.464  145.568   12.768  158.468   5.8039  146.345   6.4381 12.12317 8.667985 
1 1 1   18    7   41 o  450.014   7.2791  1354.91   41.720  1467.17   74.013  1302.62   50.510  462.810   11.801  437.218   8.5250 25.59238 14.55823 
1 1 1   18    7   42 o  139.185   5.1845  130.601   9.4774  136.785   15.602  126.985   11.931  141.703   8.1250  136.668   6.4420 5.034683 10.36898 
1 1 1   18    7   43 o  107.353   4.6851   77.965   6.7929   69.757   9.2668   87.498   9.9866  101.271   6.7525  113.436   6.4966 -12.16506 9.370250 
1 1 1   18    7   44 o  110.168   4.6851   82.220   6.9800   77.094   9.5130   88.198   10.273  106.465   6.5937  113.870   6.6575 -7.405106 9.370107 
1 1 1   18    7   45 o  138.333   4.4327  129.932   8.2967  126.846   11.367  133.451   12.137  136.588   6.1413  140.079   6.3938 -3.490692 8.865463 
1 1 1   18    7   46 o  201.287   5.7873  278.750   14.232  282.065   16.873  270.579   26.492  203.665   6.1135  198.910   9.8283 4.755157 11.57458 
1 1 1   18    7   47 f  169.143   5.9987  202.983   12.175  212.965   14.427  178.287   22.692  176.960   6.0163  161.326   10.380 15.63432 11.99742 
1 1 1   18    7   48 f  254.709   5.5036  431.250   17.935  409.955   21.763  476.332   31.665  245.402   6.5442  264.016   8.8506 -18.61308 11.00724 
1 1 1   18    7   49 o  190.469   5.4350  257.321   13.224  282.437   16.680  214.812   21.700  203.731   6.0416  177.208   9.0363 26.52319 10.86994 
1 1 1   18    7   50 o   66.704   6.3291   30.538   5.7035   31.888   7.8827   29.053   8.2627   68.288   8.5181   65.120   9.3632 3.168533 12.65813 
1 1 1   18    7   51 o  120.802   4.6939   99.118   7.6699   92.469   10.491  106.753   11.242  116.465   6.6472  125.139   6.6290 -8.674721 9.387738 
1 1 1   18    7   52 o   67.945   7.7956   32.459   6.6477   31.971   11.219   32.723   8.2523   66.801   12.860   69.088   8.8144 -2.286331 15.59114 
1 1 1   18    7   53 o   86.521   5.4361   51.022   6.3149   42.092   8.6462   61.233   9.2453   78.386   8.1396   94.655   7.2076 -16.26929 10.87210 
1 1 1   18    7   54 o   71.893   6.0874   36.187   5.7730   45.067   8.1042   27.038   8.2257   81.153   7.3693   62.634   9.6913 18.51909 12.17488 
1 1 1   18    7   55 o  161.318   4.5335  177.469   9.9016  169.790   13.660  185.971   14.373  157.651   6.3938  164.985   6.4289 -7.334015 9.067029 
1 1 1   18    7   56 f  107.538   4.9706   78.852   7.2179   70.152   9.8763   88.826   10.575  101.171   7.2037  113.906   6.8509 -12.73425 9.941216 
1 1 1   18    7   57 o  120.845   4.7813  100.207   7.8162  103.368   10.851   96.797   11.269  122.877   6.5163  118.814   6.9987 4.063385 9.562690 
1 1 1   18    7   58 o  138.541   4.6746  131.535   8.7728  126.480   12.288  136.788   12.528  135.811   6.6769  141.270   6.5443 -5.459030 9.349218 
1 1 1   18    7   59 o  120.758   4.9368   99.937   8.0566  110.909   11.720   90.108   11.093  127.065   6.8065  114.450   7.1525 12.61529 9.873528 
1 1 1   18    7   60 f  136.328   5.7658  129.925   10.076  124.676   17.105  132.715   12.470  133.702   9.4405  138.954   6.6221 -5.252655 11.53150 
1 1 1   18    7   61 o  111.926   4.9548   86.354   7.5117   85.159   10.437   87.637   10.820  111.146   6.9292  112.707   7.0843 -1.561722 9.909637 
1 1 1   18    7   62 o  108.650   6.9622   87.005   8.9272   91.910   10.532   74.485   16.826  115.428   6.7329  101.872   12.188 13.55602 13.92433 
1 1 1   18    7   63 o   33.064   8.9466   5.9966   5.7294   9.2662   6.5925  -4.0949   11.582   36.204   11.749   29.924   13.495 6.280205 17.89317 
1 1 1   18    7   64 o   52.824   7.9741   20.796   5.6376   24.892   7.7544   16.204   8.2107   59.300   9.6497   46.347   12.698 12.95288 15.94820 
1 1 1   18    7   65 o   70.510   7.3477   34.188   6.8031   30.249   8.4549   41.423   11.458   65.269   9.5591   75.752   11.161 -10.48272 14.69538 
1 1 1   18    7   66 o  108.705   5.9230   79.228   8.3859   69.643   10.289   98.193   14.472   99.752   7.6116  117.659   9.0769 -17.90606 11.84595 
1 1 1   18    7   67 o   44.413   8.6174   15.841   6.4810  -0.0564   10.698   25.060   8.1463   30.777   13.470   58.048   10.752 -27.27102 17.23487 
1 1 1   18    7   68 o   43.120   8.4441   13.752   5.2801   8.8408   7.1324   19.707   7.8539   35.386   12.229   50.855   11.647 -15.46898 16.88811 
1 1 1   18    7   69 o   58.862   7.5925   25.946   5.8650   29.032   8.0764   22.503   8.5309   63.566   9.3759   54.158   11.945 9.408119 15.18503 
1 1 1   18    7   70 f   44.653   8.7862   15.498   5.5558   13.106   7.8245   17.931   7.8900   41.237   12.727   48.069   12.116 -6.832054 17.57245 
1 1 1   18    7   71 o   80.187   6.0822   45.899   6.5486   38.182   9.0149   54.521   9.5285   72.792   9.1389   87.582   8.0283 -14.78970 12.16444 
1 1 1   18    7   72 o   36.736   8.8734   10.012   5.3097   10.507   7.4247   9.4934   7.5964   37.374   12.485   36.098   12.612 1.276279 17.74680 
1 1 1   18    7   73 f   26.070   7.8505  -0.1390   5.1589   5.0687   7.2927  -5.3554   7.2988   30.422   12.000   21.717   10.125 8.704844 15.70101 
1 1 1   18    7   74 o   34.182   9.2973   5.3018   6.0773   14.170   10.306   0.5746   7.5247   42.107   14.692   26.258   11.397 15.84978 18.59460 
1 1 1   18    7   75 o   55.734   10.669   26.561   8.4907   34.418   12.231   19.252   11.797   64.205   14.411   47.263   15.735 16.94186 21.33710 
1 1 1   18    7   76 o   54.158   11.125   26.080   8.7567   30.496   12.428   21.726   12.340   59.031   15.381   49.286   16.079 9.744335 22.25101 
1 1 1   18    7   77 o   64.985   15.910   37.950   13.898   0.0000   0.0000   37.950   13.898  ?   ?    64.985   15.910      ?      ? 
1 1 1   18    7   78 o   32.036   13.950   3.6972   11.345   0.0000   0.0000   3.6972   11.345  ?   ?    32.036   13.950      ?      ? 
1 1 1   18    8    0 o  279.520   4.7204  529.408   17.871  506.366   24.918  553.811   25.644  273.261   6.7292  285.780   6.6216 -12.51904 9.440722 
1 1 1   18    8    1 o  253.405   4.5233  435.271   15.530  447.887   22.178  423.135   21.752  257.007   6.3680  249.803   6.4258 7.204025 9.046645 
1 1 1   18    8    2 o  347.325   5.1270  818.121   24.130  832.557   34.288  803.958   33.963  350.361   7.2218  344.288   7.2794 6.072754 10.25400 
1 1 1   18    8    3 o  728.116   8.5993  3598.40   84.800  3731.93  122.440  3475.30  117.560  741.078   12.192  715.154   12.130 25.92426 17.19863 
1 1 1   18    8    4 o  230.713   5.6785  355.179   16.226  375.731   30.169  346.814   19.247  235.274   9.4625  226.152   6.2802 9.121979 11.35695 
1 1 1   18    8    5 o  323.694   7.4180  711.176   32.524  699.974   45.178  723.226   46.859  321.057   10.384  326.331   10.596 -5.273895 14.83600 
1 1 1   18    8    6 o  620.299   10.856  2617.43   91.197  2544.33  126.273  2697.13  131.852  611.278   15.244  629.321   15.461 -18.04291 21.71182 
1 1 1   18    8    7 o  770.505   12.932  4051.77  135.019  4107.92  192.032  3996.87  189.877  775.791   18.266  765.219   18.311 10.57104 25.86371 
1 1 1   18    8    8 o  454.402   8.7732  1404.06   54.019  1412.74   76.077  1395.23   76.717  455.831   12.316  452.974   12.498 2.856934 17.54648 
1 1 1   18    8    9 o  365.824   7.8205  908.291   38.736  884.245   53.448  934.895   56.218  360.742   10.933  370.905   11.185 -10.16367 15.64093 
1 1 1   18    8   10 o  276.652   7.0582  519.933   26.444  522.080   36.785  517.637   38.043  277.256   9.7905  276.048   10.170 1.207886 14.11649 
1 1 1   18    8   11 o  272.823   7.0209  504.197   25.912  482.755   35.385  528.987   38.048  266.596   9.7946  279.051   10.062 -12.45490 14.04180 
1 1 1   18    8   12 o  387.879   8.0332  1018.67   42.128  960.452   57.261  1087.36   62.200  375.862   11.242  399.896   11.478 -24.03430 16.06641 
1 1 1   18    8   13 o  532.577   13.861  1932.13  100.035   0.0000   0.0000  1932.13  100.035  ?   ?   532.577   13.861      ?      ? 
1 1 1   18    8   15 o  451.286   12.182  1386.15   74.498  1386.15   74.498   0.0000   0.0000  451.286   12.182  ?   ?       ?      ? 
1 1 1   18    8   16 o  234.530   6.7579  374.289   21.448  391.224   30.055  356.716   30.616  239.965   9.2425  229.095   9.8616 10.87045 13.51575 
1 1 1   18    8   17 f  582.955   14.543  2318.76  114.886  2318.76  114.886   0.0000   0.0000  582.955   14.543  ?   ?       ?      ? 
1 1 1   18    8   18 o  355.091   10.639  857.687   51.196  857.687   51.196   0.0000   0.0000  355.091   10.639  ?   ?       ?      ? 
1 1 1   18    8   19 o  432.882   11.816  1276.08   69.312  1276.08   69.312   0.0000   0.0000  432.882   11.816  ?   ?       ?      ? 
1 1 1   18    8   20 o  505.375   9.3618  1741.59   64.081  1730.70   89.067  1753.28   92.265  503.786   13.046  506.965   13.430 -3.178864 18.72354 
1 1 1   18    8   21 f  228.071   6.5971  354.565   20.330  369.729   28.106  337.923   29.443  233.234   8.8926  222.907   9.7472 10.32690 13.19416 
1 1 1   18    8   22 o  141.334   6.6797  135.449   12.701  132.712   16.895  139.004   19.259  139.725   8.9230  142.942   9.9425 -3.217422 13.35942 
1 1 1   18    8   23 o  335.363   7.3902  765.679   33.557  767.782   46.538  763.401   48.432  335.876   10.225  334.850   10.673 1.026093 14.78039 
1 1 1   18    8   24 o  311.435   7.1792  660.670   30.263  671.620   42.007  648.854   43.637  314.160   9.8670  308.711   10.431 5.448334 14.35838 
1 1 1   18    8   25 o  246.645   5.8859  429.526   17.716  453.065   21.239  375.703   32.117  258.366   6.0662  234.924   10.088 23.44141 11.77172 
1 1 1   18    8   26 o  127.715   5.6570  106.236   8.2588  102.498   9.3458  119.559   17.644  122.900   5.6115  132.529   9.8243 -9.628517 11.31401 
1 1 1   18    8   27 f  213.104   4.2160  306.655   12.143  282.139   16.513  335.523   17.919  203.876   5.9770  222.331   5.9475 -18.45486 8.431928 
1 1 1   18    8   28 o  265.263   4.5338  477.301   16.287  465.152   22.532  490.592   23.568  261.737   6.3527  268.788   6.4703 -7.051483 9.067660 
1 1 1   18    8   29 o  348.112   5.1082  823.035   24.087  811.016   33.490  835.916   34.669  345.490   7.1530  350.735   7.2943 -5.244263 10.21630 
1 1 1   18    8   30 o  167.281   5.7051  189.952   12.933  189.952   12.933   0.0000   0.0000  167.281   5.7051  ?   ?       ?      ? 
1 1 1   18    8   31 o  262.836   4.5452  469.528   16.169  497.659   22.911  441.614   22.822  270.702   6.2455  254.970   6.6053 15.73264 9.090403 
1 1 1   18    8   32 o  153.575   5.6539  163.219   10.242  166.222   11.918  154.729   20.035  156.477   5.6203  150.673   9.8122 5.803497 11.30780 
1 1 1   18    8   33 f  319.945   4.9387  695.950   21.399  726.870   30.326  665.290   30.199  327.044   6.8428  312.846   7.1233 14.19885 9.877457 
1 1 1   18    8   34 o  123.346   4.2899  102.345   7.1238   87.599   9.6051  120.373   10.620  113.557   6.2417  133.135   5.8866 -19.57735 8.579727 
1 1 1   18    8   35 o  305.779   4.8432  635.553   20.055  667.523   28.545  604.391   28.182  313.390   6.7215  298.167   6.9749 15.22290 9.686418 
1 1 1   18    8   36 o  154.867   4.9003  161.518   10.014  169.726   16.296  156.536   12.694  157.945   7.6135  151.790   6.1713 6.154358 9.800511 
1 1 1   18    8   37 f  171.452   6.1028  199.725   14.179   0.0000   0.0000  199.725   14.179  ?   ?   171.452   6.1028      ?      ? 
1 1 1   18    8   38 o  156.427   4.3059  166.748   9.0663  190.886   12.921  143.339   12.724  167.639   5.6878  145.215   6.4661 22.42332 8.611706 
1 1 1   18    8   39 o  313.125   4.9269  666.951   20.892  699.127   29.693  635.408   29.400  320.627   6.8340  305.622   7.0988 15.00461 9.853780 
1 1 1   18    8   40 o  459.841   6.1056  1439.91   38.020  1400.42   52.581  1483.18   55.040  453.265   8.5605  466.418   8.7081 -13.15228 12.21117 
1 1 1   18    8   41 o  190.004   4.4175  241.625   11.260  199.678   14.994  295.866   17.050  171.365   6.4568  208.643   6.0305 -37.27742 8.834978 
1 1 1   18    8   42 f  110.174   4.6591   82.199   6.9395   75.257   9.4835   90.201   10.182  105.184   6.6533  115.164   6.5240 -9.980003 9.318154 
1 1 1   18    8   43 o  177.450   4.3733  214.252   10.502  217.261   14.543  210.973   15.183  178.771   6.0030  176.129   6.3614 2.641830 8.746620 
1 1 1   18    8   44 o   93.475   5.8764   62.093   7.0125   68.555   8.8581   51.246   11.477  100.382   6.5118   86.567   9.7838 13.81419 11.75276 
1 1 1   18    8   45 o  316.216   6.1246  704.383   25.007  767.189   31.820  602.945   40.439  335.654   6.9956  296.778   10.055 38.87616 12.24921 
1 1 1   18    8   46 o  123.333   4.6925  103.104   7.8183   92.480   10.702  115.261   11.449  116.538   6.7768  130.128   6.4926 -13.59055 9.385034 
1 1 1   18    8   47 o  235.653   4.6025  376.626   14.668  352.146   20.014  405.034   21.560  227.416   6.4944  243.891   6.5235 -16.47496 9.205074 
1 1 1   18    8   48 o  177.752   5.7084  206.647   12.466  195.044   14.608  237.750   23.916  169.233   6.3697  186.271   9.4746 -17.03853 11.41672 
1 1 1   18    8   49 o  119.148   4.7532   96.403   7.6515   86.555   10.494  107.582   11.181  112.660   6.8734  125.637   6.5670 -12.97688 9.506317 
1 1 1   18    8   50 o  287.003   4.8588  561.247   18.883  539.959   26.108  584.599   27.345  281.311   6.8486  292.695   6.8942 -11.38388 9.717690 
1 1 1   18    8   51 o  113.611   4.8439   88.222   7.4492   91.160   10.415   85.144   10.659  115.574   6.6496  111.647   7.0452 3.927383 9.687739 
1 1 1   18    8   52 o   74.400   5.9457   37.930   5.9241   30.587   8.1493   46.157   8.6269   66.705   9.0153   82.096   7.7545 -15.39050 11.89147 
1 1 1   18    8   53 o  124.375   5.8771  107.529   9.3287  102.252   15.953  110.271   11.500  121.733   9.6707  127.016   6.6810 -5.282974 11.75410 
1 1 1   18    8   54 o  102.610   5.0912   72.111   7.0236   60.614   9.7249   84.645   10.155   93.994   7.6349  111.227   6.7371 -17.23309 10.18238 
1 1 1   18    8   55 o   33.626   6.8619   3.0299   4.6874  -9.8313   6.4568   17.360   6.8156   18.172   8.7645   49.080   10.561 -30.90768 13.72380 
1 1 1   18    8   56 o  134.950   5.7733  129.604   9.9988  111.440   16.384  140.383   12.621  126.750   9.5390  143.151   6.5063 -16.40128 11.54660 
1 1 1   18    8   57 o   83.949   6.7038   50.445   7.2068   44.019   11.906   54.162   9.0540   79.213   11.091   88.686   7.5337 -9.472809 13.40768 
1 1 1   18    8   58 f  106.833   4.8906   78.754   7.0540   85.350   9.8936   71.935   10.060  111.479   6.5490  102.186   7.2650 9.293106 9.781121 
1 1 1   18    8   59 o  123.540   4.7236  104.909   7.9034  101.790   10.952  108.297   11.416  121.636   6.6446  125.443   6.7157 -3.807495 9.447242 
1 1 1   18    8   60 o   61.473   7.0631   26.900   5.5628   18.232   7.5349   37.284   8.2474   49.728   11.422   73.219   8.3122 -23.49053 14.12621 
1 1 1   18    8   61 o   97.758   5.2037   66.328   6.8816   68.801   9.5803   63.691   9.8912   99.722   7.0893   95.794   7.6195 3.927338 10.40745 
1 1 1   18    8   62 o  109.521   5.8770   82.850   8.2803   80.701   10.167   87.082   14.271  107.944   6.9502  111.098   9.4790 -3.154068 11.75397 
1 1 1   18    8   63 o   70.167   6.2877   34.217   5.9346   29.383   7.9180   40.415   8.9647   64.538   9.0536   75.796   8.7279 -11.25806 12.57547 
1 1 1   18    8   64 o   34.255   9.6524   4.4951   5.7027   2.8555   6.4286   10.550   12.354   27.438   11.116   41.071   15.783 -13.63355 19.30471 
1 1 1   18    8   65 o  102.437   5.2310   74.072   7.1860   80.907   9.8200   66.192   10.544  107.852   6.7189   97.021   8.0194 10.83042 10.46204 
1 1 1   18    8   66 o   54.766   7.5859   21.670   5.4917   16.770   7.2782   28.147   8.3681   46.964   11.523   62.567   9.8695 -15.60369 15.17171 
1 1 1   18    8   67 o   92.220   5.4824   59.258   6.8125   52.386   9.1091   67.979   10.262   86.201   7.7980   98.240   7.7085 -12.03889 10.96488 
1 1 1   18    8   68 o  102.381   6.5729   73.725   8.7263   80.975   14.904   69.943   10.764  105.366   10.438   99.397   7.9916 5.968674 13.14584 
1 1 1   18    8   69 o   51.585   9.6619   22.157   6.7391   17.184   12.089   24.400   8.1175   46.367   15.927   56.803   10.942 -10.43586 19.32378 
1 1 1   18    8   70 o   56.450   7.7668   24.101   5.7777   15.847   7.9499   33.340   8.4114   44.910   12.568   67.989   9.1295 -23.07841 15.53354 
1 1 1   18    8   71 o   62.717   8.8321   32.633   6.9769   23.271   11.530   38.042   8.7633   52.810   15.256   72.624   8.9044 -19.81400 17.66429 
1 1 1   18    8   72 o   65.567   8.8295   35.554   7.1926   26.583   11.922   40.687   9.0188   56.151   15.266   74.983   8.8757 -18.83180 17.65897 
1 1 1   18    8   73 o   40.591   10.455   12.802   7.5174   14.656   10.166   10.564   11.167   42.546   14.606   38.635   14.962 3.910976 20.90930 
1 1 1   18    8   74 o   40.989   15.517   13.167   11.829   0.0000   0.0000   13.167   11.829  ?   ?    40.989   15.517      ?      ? 
1 1 1   18    8   75 o   38.235   15.297   10.419   12.009   0.0000   0.0000   10.419   12.009  ?   ?    38.235   15.297      ?      ? 
1 1 1   18    9    0 o  210.891   5.7349  296.891   14.887  313.581   27.963  290.289   17.587  214.894   9.6024  206.889   6.2729 8.005035 11.46976 
1 1 1   18    9    1 o  500.515   6.4360  1700.82   43.653  1700.33   61.557  1701.31   61.913  500.445   9.0769  500.585   9.1268 -0.1398621 12.87204 
1 1 1   18    9    2 o  386.827   5.4730  1013.98   28.668  1067.35   41.378  964.715   39.756  396.605   7.6989  377.049   7.7807 19.55582 10.94591 
1 1 1   18    9    3 o  553.647   6.9319  2081.52   52.001  2123.07   74.149  2041.30   72.948  559.085   9.7868  548.209   9.8194 10.87646 13.86372 
1 1 1   18    9    4 o  355.245   5.2245  856.129   25.145  883.499   35.814  829.523   35.311  360.847   7.3240  349.642   7.4525 11.20508 10.44898 
1 1 1   18    9    5 o  203.169   4.9321  276.996   13.102  268.846   16.378  291.486   21.836  199.095   6.0702  207.243   7.7752 -8.148224 9.864167 
1 1 1   18    9    6 o  198.947   9.3757  268.830   25.277  268.830   25.277   0.0000   0.0000  198.947   9.3757  ?   ?       ?      ? 
1 1 1   18    9    7 o  321.758   6.9623  702.438   30.358  702.438   30.358   0.0000   0.0000  321.758   6.9623  ?   ?       ?      ? 
1 1 1   18    9    8 o  324.709   10.356  716.643   45.569  716.643   45.569   0.0000   0.0000  324.709   10.356  ?   ?       ?      ? 
1 1 1   18    9    9 o  326.369   10.351  724.063   45.781  724.063   45.781   0.0000   0.0000  326.369   10.351  ?   ?       ?      ? 
1 1 1   18    9   10 o  102.758   10.677   71.801   14.868   71.801   14.868   0.0000   0.0000  102.758   10.677  ?   ?       ?      ? 
1 1 1   18    9   11 o  310.897   7.3205  657.208   30.807  657.613   42.568  656.761   44.640  311.024   10.100  310.770   10.600 0.2533264 14.64104 
1 1 1   18    9   12 o  144.327   7.0264  140.335   13.680  127.178   18.346  156.810   20.531  136.779   9.8980  151.876   9.9754 -15.09694 14.05271 
1 1 1   18    9   13 o  128.566   7.2589  111.589   12.599  102.693   16.955  122.559   18.827  122.889   10.181  134.243   10.349 -11.35339 14.51775 
1 1 1   18    9   14 o  158.482   6.8616  170.728   14.706  170.326   20.149  171.186   21.512  158.299   9.3929  158.664   10.005 -0.3654785 13.72323 
1 1 1   18    9   15 o  267.117   6.9917  484.991   25.271  481.293   34.740  489.146   36.827  266.060   9.6355  268.173   10.134 -2.112885 13.98330 
1 1 1   18    9   16 o  255.747   6.9064  444.966   23.910  448.625   33.131  440.990   34.539  256.868   9.5180  254.625   10.010 2.242264 13.81271 
1 1 1   18    9   17 o  199.596   6.9298  271.212   18.720  286.559   26.449  255.807   26.499  205.281   9.5077  193.911   10.084 11.37068 13.85968 
1 1 1   18    9   19 o  253.956   9.5019  438.673   32.700  438.673   32.700   0.0000   0.0000  253.956   9.5019  ?   ?       ?      ? 
1 1 1   18    9   20 o  495.124   9.2810  1673.65   62.245  1671.62   86.744  1675.81   89.370  494.868   12.935  495.380   13.313 -0.5128479 18.56205 
1 1 1   18    9   21 o  312.172   7.3301  657.621   30.848  606.991   41.139  722.651   46.624  298.598   10.167  325.746   10.562 -27.14774 14.66016 
1 1 1   18    9   22 o  251.712   6.8742  431.956   23.389  443.144   32.208  419.475   34.019  255.212   9.3128  248.212   10.114 7.000610 13.74843 
1 1 1   18    9   23 o  290.876   7.1215  576.709   28.031  588.310   38.855  564.118   40.478  293.974   9.7534  287.777   10.380 6.197021 14.24301 
1 1 1   18    9   24 o  122.774   7.0959  103.354   11.694  108.722   15.754   96.767   17.451  126.399   9.1976  119.150   10.808 7.249489 14.19186 
1 1 1   18    9   25 o  355.575   7.6612  862.013   36.881  861.964   51.069  862.066   53.320  355.612   10.597  355.538   11.067 0.7443237E-01 15.32243 
1 1 1   18    9   26 o  260.241   5.8972  455.476   18.662  449.076   21.913  472.373   35.606  257.165   6.2879  263.317   9.9784 -6.152161 11.79434 
1 1 1   18    9   27 o  171.801   5.4497  197.694   9.5896  196.151   10.524  205.241   23.276  170.043   4.5672  173.558   9.8964 -3.514465 10.89943 
1 1 1   18    9   28 o  296.682   5.9073  612.628   19.540  623.573   22.173  574.591   41.337  303.105   5.3982  290.259   10.509 12.84503 11.81459 
1 1 1   18    9   29 o  365.059   6.3720  916.819   26.346  924.684   30.011  890.389   55.014  369.012   6.0015  361.106   11.242 7.906311 12.74399 
1 1 1   18    9   30 o  243.348   5.3675  412.671   17.060  360.857   27.067  446.818   21.974  230.226   8.6757  256.470   6.3224 -26.24475 10.73499 
1 1 1   18    9   31 o   99.201   4.9534   66.895   6.5749   66.889   10.134   66.900   8.6405   99.171   7.5403   99.231   6.4256 -0.5918884E-01 9.906793 
1 1 1   18    9   32 o  176.174   4.9172  211.532   11.406  208.688   18.393  213.309   14.540  175.139   7.7496  177.209   6.0549 -2.069489 9.834485 
1 1 1   18    9   33 o   51.475   9.1970   14.148   5.2175   11.288   5.7165   28.416   12.769   39.936   10.444   63.014   15.141 -23.07724 18.39403 
1 1 1   18    9   34 o  270.324   4.6348  497.114   16.964  514.981   23.821  478.729   24.163  275.278   6.3856  265.370   6.7193 9.908020 9.269561 
1 1 1   18    9   35 o  173.334   4.2708  204.994   9.9799  226.965   14.032  182.506   14.197  182.800   5.6646  163.867   6.3931 18.93311 8.541616 
1 1 1   18    9   36 o   90.136   4.8369   54.918   5.8279   43.348   7.9191   68.587   8.6076   79.818   7.3214  100.454   6.3231 -20.63610 9.673894 
1 1 1   18    9   37 o  284.437   4.7614  549.959   18.341  544.084   25.426  556.333   26.483  282.869   6.6329  286.004   6.8329 -3.135223 9.522801 
1 1 1   18    9   38 o  176.277   5.5729  216.706   12.448  196.792   21.330  226.990   15.328  169.815   9.2690  182.740   6.1898 -12.92506 11.14574 
1 1 1   18    9   39 o  324.221   6.0196  720.477   25.178  729.288   31.264  704.219   42.470  327.374   7.0473  321.069   9.7612 6.304749 12.03928 
1 1 1   18    9   40 o  328.240   6.0557  736.780   25.593  741.196   31.660  728.453   43.475  330.002   7.0796  326.477   9.8267 3.525024 12.11130 
1 1 1   18    9   41 o  260.304   4.6535  461.178   16.407  469.782   22.986  452.241   23.426  262.800   6.4543  257.808   6.7054 4.992584 9.307022 
1 1 1   18    9   42 o  206.742   4.4017  290.916   12.323  300.119   17.307  281.452   17.550  210.079   6.0794  203.405   6.3672 6.673798 8.803411 
1 1 1   18    9   43 o  133.278   4.4869  121.259   8.0691  133.405   11.369  108.932   11.454  140.056   5.9903  126.501   6.6817 13.55481 8.973737 
1 1 1   18    9   44 o  145.488   4.4211  144.114   8.7092  146.123   12.123  141.972   12.520  146.551   6.1044  144.425   6.3969 2.125626 8.842201 
1 1 1   18    9   45 o   47.226   7.9420   15.942   5.0053   15.963   6.9285   15.920   7.2389   47.271   11.019   47.181   11.440 0.8972931E-01 15.88398 
1 1 1   18    9   46 o  237.901   4.5861  385.869   14.771  402.919   20.807  368.545   20.973  243.237   6.3123  232.564   6.6547 10.67255 9.172289 
1 1 1   18    9   47 o  215.223   4.5162  315.812   13.151  337.925   18.683  294.092   18.516  222.732   6.1899  207.714   6.5781 15.01830 9.032493 
1 1 1   18    9   48 o  151.501   4.4818  156.779   9.1756  169.768   12.952  143.692   13.001  157.853   6.0547  145.148   6.6096 12.70432 8.963626 
1 1 1   18    9   49 o  105.958   6.9399   80.574   8.5759   84.164   10.004   70.626   16.655  111.048   6.6480  100.869   12.184 10.17902 13.87986 
1 1 1   18    9   50 o  126.760   6.7460  120.933   9.8758  133.300   11.680   89.921   18.497  139.784   6.1660  113.737   12.001 26.04763 13.49209 
1 1 1   18    9   51 o  127.870   4.7061  112.320   8.1076  124.171   11.350   99.974   11.585  134.863   6.2106  120.877   7.0724 13.98648 9.412255 
1 1 1   18    9   52 o   64.034   8.6596   34.679   6.8914   14.258   11.422   46.370   8.6417   45.873   15.484   82.195   7.7584 -36.32117 17.31913 
1 1 1   18    9   53 o  119.231   6.8360  111.165   9.6534   62.492   15.513  141.924   12.332   94.412   12.125  144.051   6.3174 -49.63918 13.67202 
1 1 1   18    9   54 o   66.706   7.9228   32.035   6.6869   29.982   10.946   33.257   8.4464   64.075   13.049   69.336   8.9893 -5.261864 15.84568 
1 1 1   18    9   55 o   66.976   8.0024   32.941   6.6536   28.917   11.125   35.182   8.3021   62.639   13.504   71.313   8.5909 -8.674240 16.00477 
1 1 1   18    9   56 o   73.503   6.0169   37.439   5.9796   40.774   8.5430   34.236   8.3726   76.768   8.2120   70.238   8.7963 6.529816 12.03377 
1 1 1   18    9   57 o  103.210   5.1139   73.338   7.1140   84.198   10.308   63.460   9.8306  110.580   6.8786   95.840   7.5693 14.74064 10.22784 
1 1 1   18    9   58 o  114.574   5.7431   90.841   8.5356   90.079   10.622   92.231   14.341  114.295   6.8579  114.852   9.2143 -0.5567627 11.48624 
1 1 1   18    9   59 o   52.574   8.1453   17.480   5.8784   8.6544   7.2772   34.055   9.9724   35.842   12.355   69.306   10.618 -33.46380 16.29060 
1 1 1   18    9   60 o   82.126   5.7296   47.083   6.3637   47.645   8.7604   46.455   9.2596   82.728   7.8143   81.524   8.3815 1.204132 11.45919 
1 1 1   18    9   61 f  158.631   4.6755  174.545   10.027  184.789   14.022  163.826   14.343  163.545   6.3268  153.716   6.8857 9.828552 9.351048 
1 1 1   18    9   62 o   66.180   6.5271   30.816   5.8084   25.924   7.9043   36.559   8.5639   60.370   9.6618   71.990   8.7785 -11.61920 13.05418 
1 1 1   18    9   63 o   88.748   5.5783   54.770   6.6746   48.181   8.9928   62.852   9.9599   82.811   8.0135   94.686   7.7622 -11.87529 11.15654 
1 1 1   18    9   64 o   38.595   8.6731   11.107   5.1173   12.156   6.8541   9.7849   7.6922   40.155   11.809   37.036   12.706 3.118786 17.34627 
1 1 1   18    9   65 o   44.827   9.9584   14.608   6.1357   13.442   7.1192   17.976   12.098   41.969   11.945   47.685   15.937 -5.715412 19.91684 
1 1 1   18    9   66 o   53.725   8.0377   21.785   5.6710   18.343   7.7359   25.784   8.3377   48.854   11.814   58.597   10.901 -9.742569 16.07543 
1 1 1   18    9   67 o   49.710   12.136   19.169   8.1037   0.0000   0.0000   19.169   8.1037  ?   ?    49.710   12.136      ?      ? 
1 1 1   18    9   68 o   33.787   9.1741   6.9302   5.7720   7.7038   9.3532   6.4544   7.3353   35.328   13.690   32.246   12.217 3.081398 18.34820 
1 1 1   18    9   69 o   59.358   11.206   26.876   8.6838   0.0000   0.0000   26.876   8.6838  ?   ?    59.358   11.206      ?      ? 
1 1 1   18    9   70 o   34.176   14.505   4.2733   11.684   0.0000   0.0000   4.2733   11.684  ?   ?    34.176   14.505      ?      ? 
1 1 1   18    9   71 o   29.102   13.148  -2.1595   11.050   0.0000   0.0000  -2.1595   11.050  ?   ?    29.102   13.148      ?      ? 
1 1 1   18    9   72 f   32.525   14.061   2.9645   11.361   0.0000   0.0000   2.9645   11.361  ?   ?    32.525   14.061      ?      ? 
1 1 1   18   10    0 o  195.613   4.4084  259.464   11.683  253.538   16.317  265.698   16.736  193.323   6.2284  197.904   6.2404 -4.581482 8.816787 
1 1 1   18   10    1 o  300.711   6.1718  606.383   23.321  634.954   42.152  593.779   27.996  305.621   10.178  295.802   6.9842 9.819427 12.34365 
1 1 1   18   10    2 o  244.674   5.8229  404.407   17.881  412.100   32.182  400.971   21.506  246.249   9.6439  243.098   6.5283 3.150818 11.64574 
1 1 1   18   10    3 o  312.273   4.9625  661.297   20.990  646.198   29.142  677.576   30.259  308.575   6.9690  315.970   7.0668 -7.395752 9.925080 
1 1 1   18   10    4 o  238.620   4.5477  386.275   14.668  424.154   21.015  350.289   20.483  250.038   6.2022  227.203   6.6527 22.83429 9.095369 
1 1 1   18   10    5 o  389.993   5.5198  1029.59   29.126  975.664   39.862  1091.35   42.661  379.075   7.7598  400.910   7.8524 -21.83478 11.03969 
1 1 1   18   10    6 o  247.198   4.5469  414.415   15.223  408.233   21.120  421.100   21.962  245.284   6.3540  249.111   6.5056 -3.827057 9.093764 
1 1 1   18   10    7 o  410.000   6.8201  1160.70   31.816  1176.27   36.354  1109.76   65.764  416.344   6.4435  403.656   12.022 12.68729 13.64023 
1 1 1   18   10    8 o  107.666   6.7067   84.169   6.4574   86.104   6.9443   71.811   17.553  112.686   4.5476  102.647   12.619 10.03870 13.41336 
1 1 1   18   10    9 o  155.672   6.9989  164.053   14.689  157.796   19.652  171.976   22.113  152.345   9.5191  158.999   10.263 -6.653824 13.99771 
1 1 1   18   10   10 o  345.143   7.6442  810.423   35.716  802.664   49.301  818.993   51.814  343.437   10.593  346.850   11.024 -3.413483 15.28839 
1 1 1   18   10   11 o  133.916   7.2249  120.091   12.985  100.041   17.270  146.168   19.696  121.243   10.511  146.589   9.9149 -25.34531 14.44978 
1 1 1   18   10   12 o  152.223   7.0481  158.779   14.432  171.868   19.825  144.023   21.049  158.990   9.2014  145.455   10.679 13.53479 14.09616 
1 1 1   18   10   13 o  379.123   7.9817  976.896   40.947  940.030   56.076  1019.01   59.931  371.504   11.139  386.741   11.435 -15.23669 15.96350 
1 1 1   18   10   14 o  107.396   8.3190   82.097   11.454  109.102   15.913   53.065   16.500  126.658   9.2715   88.134   13.815 38.52439 16.63810 
1 1 1   18   10   15 o  233.344   6.8358  370.454   21.568  370.259   29.539  370.676   31.567  233.310   9.3428  233.378   9.9813 -0.6733704E-01 13.67167 
1 1 1   18   10   16 f   63.862   10.541   27.443   9.0643   17.792   11.754   41.605   14.239   50.910   15.580   76.815   14.202 -25.90538 21.08141 
1 1 1   18   10   17 o  260.496   6.9622  462.526   24.542  479.911   34.268  444.217   35.166  265.567   9.5222  255.425   10.160 10.14215 13.92434 
1 1 1   18   10   18 o  168.469   6.8446  191.951   15.565  179.696   20.915  207.166   23.303  162.494   9.4983  174.443   9.8579 -11.94923 13.68923 
1 1 1   18   10   19 o  278.068   7.1014  525.418   26.689  511.644   36.254  541.714   39.434  274.138   9.7589  281.999   10.319 -7.861053 14.20274 
1 1 1   18   10   20 o  143.215   7.1061  138.200   13.676  128.799   17.996  151.055   21.043  137.540   9.6550  148.890   10.429 -11.35004 14.21221 
1 1 1   18   10   21 o  220.914   6.8683  330.909   20.483  316.939   27.568  348.125   30.603  215.763   9.4287  226.064   9.9897 -10.30083 13.73663 
1 1 1   18   10   22 o  319.311   10.828  695.335   46.856   0.0000   0.0000  695.335   46.856  ?   ?   319.311   10.828      ?      ? 
1 1 1   18   10   23 o  193.525   9.4152  255.050   24.692  255.050   24.692   0.0000   0.0000  193.525   9.4152  ?   ?       ?      ? 
1 1 1   18   10   24 o  286.251   10.441  558.776   40.501   0.0000   0.0000  558.776   40.501  ?   ?   286.251   10.441      ?      ? 
1 1 1   18   10   25 o  150.875   6.4287  157.783   12.196  162.785   14.851  147.418   21.377  154.763   7.0810  146.986   10.732 7.776413 12.85746 
1 1 1   18   10   26 o  209.360   5.7755  301.428   13.876  304.311   15.899  292.210   28.430  211.720   5.5414  206.999   10.135 4.720886 11.55103 
1 1 1   18   10   27 o  234.923   5.5646  367.437   13.942  362.587   15.460  388.563   32.266  231.146   4.9356  238.700   9.9750 -7.554504 11.12924 
1 1 1   18   10   28 o  327.234   6.0992  717.955   22.052  709.938   24.758  748.735   48.510  323.346   5.6503  331.122   10.811 -7.775360 12.19839 
1 1 1   18   10   29 o  146.441   6.1148  147.719   10.408  149.335   12.000  142.810   20.914  148.275   5.9720  144.608   10.672 3.666824 12.22953 
1 1 1   18   10   30 o  240.818   5.7164  401.453   14.928  406.057   16.745  383.631   32.947  244.580   5.0522  237.055   10.256 7.524246 11.43287 
1 1 1   18   10   31 o  208.289   5.5786  292.405   12.391  290.617   13.763  300.055   28.468  206.918   4.9082  209.661   10.020 -2.743362 11.15723 
1 1 1   18   10   32 o  265.838   5.8745  497.756   17.183  510.255   19.445  453.206   36.710  274.135   5.2342  257.541   10.519 16.59348 11.74897 
1 1 1   18   10   33 o  156.566   6.1040  171.490   11.045  175.801   12.750  158.524   22.112  160.861   5.8487  152.272   10.716 8.588913 12.20806 
1 1 1   18   10   34 o  174.664   6.0288  207.319   14.270  207.319   14.270   0.0000   0.0000  174.664   6.0288  ?   ?       ?      ? 
1 1 1   18   10   35 o  171.042   4.9488  198.865   11.065  198.385   13.915  199.691   18.248  170.853   6.0098  171.232   7.8641 -0.3781128 9.897551 
1 1 1   18   10   36 o  274.176   4.7258  511.554   17.542  538.282   24.854  485.021   24.763  281.342   6.5190  267.011   6.8437 14.33136 9.451637 
1 1 1   18   10   37 o  246.421   4.5750  413.244   15.267  426.434   21.464  399.737   21.721  250.423   6.3250  242.418   6.6119 8.005600 9.150066 
1 1 1   18   10   38 f  176.986   5.4783  205.633   12.332  235.872   22.199  192.137   14.831  185.908   8.8115  168.064   6.5120 17.84471 10.95662 
1 1 1   18   10   39 o  112.360   6.1215   89.428   8.4990   77.891   15.053   94.827   10.297  106.656   10.415  118.064   6.4362 -11.40782 12.24298 
1 1 1   18   10   40 o  156.574   4.4100  166.669   9.3532  163.404   13.001  170.171   13.466  154.990   6.1901  158.157   6.2829 -3.167084 8.820005 
1 1 1   18   10   41 o  312.372   4.9748  664.643   21.053  662.385   29.410  667.016   30.150  311.846   6.9595  312.898   7.1105 -1.052399 9.949593 
1 1 1   18   10   42 o  201.834   4.4436  277.261   12.152  276.103   17.029  278.462   17.347  201.412   6.2389  202.257   6.3290 -0.8451996 8.887120 
1 1 1   18   10   43 o  142.950   4.4310  139.061   8.5801  133.542   11.997  144.838   12.275  140.043   6.3219  145.858   6.2105 -5.815384 8.862064 
1 1 1   18   10   44 o  109.482   4.7946   81.726   7.1037   76.192   9.9716   87.429   10.122  105.701   6.9615  113.264   6.5948 -7.563774 9.589288 
1 1 1   18   10   45 o   42.414   8.2766   12.787   4.9075   13.377   7.1550   12.262   6.7438   43.301   11.849   41.528   11.559 1.773373 16.55329 
1 1 1   18   10   46 o  116.195   4.7578   92.122   7.4905   94.413   10.647   89.878   10.540  117.631   6.6794  114.759   6.7773 2.871872 9.515554 
1 1 1   18   10   47 o  192.046   4.4939  251.473   11.684  267.390   16.732  236.326   16.322  197.997   6.2361  186.094   6.4724 11.90341 8.987830 
1 1 1   18   10   48 f  187.472   5.4585  239.982   13.136  243.256   22.586  238.308   16.148  188.109   8.8601  186.835   6.3781 1.274658 10.91704 
1 1 1   18   10   49 o  163.649   5.4907  182.248   11.540  188.173   19.908  179.250   14.162  165.331   8.8858  161.968   6.4523 3.363098 10.98139 
1 1 1   18   10   50 o  103.066   6.8715   74.467   8.4445   75.630   9.8861   71.326   16.240  105.092   6.9418  101.040   11.861 4.051796 13.74296 
1 1 1   18   10   51 o   59.755   6.8632   25.672   5.2339   17.470   7.3532   34.094   7.4515   49.092   11.289   70.418   7.8087 -21.32545 13.72636 
1 1 1   18   10   52 o   39.146   7.9419   10.622   4.7810   4.8044   6.7779   16.383   6.7451   30.733   11.719   47.559   10.722 -16.82609 15.88387 
1 1 1   18   10   53 o  117.057   4.7605   94.041   7.5504   92.849   10.571   95.284   10.789  116.305   6.7068  117.809   6.7578 -1.503738 9.520970 
1 1 1   18   10   54 o   62.755   6.8128   28.204   5.5522   33.234   7.7455   22.889   7.9629   69.291   8.2488   56.219   10.845 13.07122 13.62565 
1 1 1   18   10   55 o  117.474   6.5669   96.538   10.426   91.103   14.990  101.631   14.511  114.110   9.6940  120.838   8.8614 -6.727501 13.13388 
1 1 1   18   10   56 o   66.843   8.0011   32.445   6.7220   31.334   11.243   33.063   8.3860   64.878   13.236   68.808   8.9937 -3.929482 16.00227 
1 1 1   18   10   57 o   56.616   7.4736   23.172   5.5946   24.722   7.7423   21.478   8.0932   59.276   9.6384   53.956   11.425 5.320229 14.94718 
1 1 1   18   10   58 o   84.551   5.7361   49.913   6.5576   45.899   9.2284   54.008   9.3199   81.025   8.4048   88.078   7.8084 -7.053024 11.47216 
1 1 1   18   10   59 f  107.095   5.1633   79.642   7.4714   71.651   10.373   88.256   10.770  101.426   7.5471  112.763   7.0483 -11.33726 10.32651 
1 1 1   18   10   60 o   35.096   8.4554   7.6857   5.1979   13.292   7.4009   2.2283   7.3020   42.078   12.242   28.115   11.667 13.96290 16.91085 
1 1 1   18   10   61 o   42.656   8.5976   13.626   5.2474   11.216   7.1965   16.361   7.6679   38.928   12.238   46.385   12.079 -7.457752 17.19515 
1 1 1   18   10   62 o   61.367   6.8811   26.954   5.7125   26.331   7.8184   27.668   8.3667   60.684   9.5075   62.050   9.9501 -1.366871 13.76214 
1 1 1   18   10   63 o  132.378   4.8748  122.329   8.7369  120.916   12.073  123.882   12.659  131.648   6.7676  133.108   7.0182 -1.460114 9.749582 
1 1 1   18   10   64 o   73.326   7.3740   39.399   7.1246   37.828   11.313   40.431   9.1719   71.460   11.683   75.193   9.0013 -3.732773 14.74807 
1 1 1   18   10   65 o   30.701   8.8454   4.0011   5.8489   1.0378   9.1823   6.0244   7.5873   29.318   12.658   32.083   12.359 -2.764771 17.69071 
1 1 1   18   10   66 o   48.735   9.3807   18.510   7.8867   33.148   10.614   0.4696   11.784   65.481   12.416   31.989   14.065 33.49198 18.76144 
1 1 1   18   10   67 o   35.644   14.714   6.1356   11.528   0.0000   0.0000   6.1356   11.528  ?   ?    35.644   14.714      ?      ? 
1 1 1   18   10   68 o   36.108   14.796   6.8885   11.550   0.0000   0.0000   6.8885   11.550  ?   ?    36.108   14.796      ?      ? 
1 1 1   18   10   69 o   34.084   14.503   4.2840   11.733   0.0000   0.0000   4.2840   11.733  ?   ?    34.084   14.503      ?      ? 
1 1 1   18   11    0 o  430.975   5.9137  1261.01   34.523  1312.77   49.557  1212.20   48.119  439.568   8.3195  422.383   8.4068 17.18558 11.82745 
1 1 1   18   11    1 o  458.226   6.1429  1427.01   38.144  1442.18   53.977  1411.87   53.909  460.666   8.6465  455.786   8.7281 4.879822 12.28583 
1 1 1   18   11    2 o  385.888   7.8996  1011.52   41.309   0.0000   0.0000  1011.52   41.309  ?   ?   385.888   7.8996      ?      ? 
1 1 1   18   11    3 o  206.540   4.5357  289.530   12.688  289.479   17.656  289.583   18.246  206.527   6.3085  206.553   6.5187 -0.2574158E-01 9.071382 
1 1 1   18   11    4 o  262.491   7.1756  469.625   25.483  490.450   35.607  447.762   36.485  268.506   9.7860  256.478   10.497 12.02814 14.35129 
1 1 1   18   11    5 o  463.626   7.7005  1480.03   45.708  1413.08   77.844  1515.26   56.467  455.136   12.621  472.117   8.8260 -16.98074 15.40104 
1 1 1   18   11    6 o  346.573   6.5581  816.547   28.828  817.805   50.645  815.944   35.063  346.543   10.785  346.602   7.4651 -0.5801392E-01 13.11614 
1 1 1   18   11    7 o  141.565   6.0892  125.962   10.053  117.121   11.402  156.823   21.303  131.355   6.4056  151.776   10.358 -20.42038 12.17832 
1 1 1   18   11    8 o  236.679   5.6985  382.755   14.502  384.118   16.188  377.216   32.639  237.963   5.0198  235.395   10.232 2.568237 11.39706 
1 1 1   18   11    9 o  112.446   6.6306   89.859   6.9267   91.383   7.4867   80.802   18.253  116.073   4.7597  108.820   12.378 7.252960 13.26117 
1 1 1   18   11   10 o  311.000   6.1195  678.437   21.233  695.271   24.145  621.016   44.594  320.099   5.5663  301.901   10.900 18.19772 12.23901 
1 1 1   18   11   11 o  142.759   5.8266  136.535   8.2401  135.615   8.9710  141.505   20.841  141.400   4.6818  144.119   10.671 -2.719788 11.65319 
1 1 1   18   11   12 o  306.186   5.9268  621.587   19.904  610.824   22.254  664.631   44.504  300.028   5.4735  312.345   10.514 -12.31714 11.85370 
1 1 1   18   11   13 o   93.541   7.0511   62.599   5.7662   63.593   6.1669   55.689   16.262   96.825   4.7000   90.257   13.296 6.567932 14.10225 
1 1 1   18   11   14 o  208.515   5.7464  313.365   12.563  324.719   14.041  267.790   28.132  218.789   4.7358  198.240   10.472 20.54890 11.49281 
1 1 1   18   11   15 o  105.305   6.6884   72.570   7.5166   70.835   8.3164   80.313   17.567  102.148   6.0079  108.461   11.952 -6.313087 13.37683 
1 1 1   18   11   16 f  236.214   6.4917  380.844   20.334  384.994   26.262  374.633   32.129  237.939   8.1449  234.488   10.111 3.451797 12.98340 
1 1 1   18   11   17 o  350.401   7.4909  839.002   35.304  853.228   47.359  821.209   52.964  353.895   9.8751  346.907   11.267 6.987549 14.98172 
1 1 1   18   11   18 o  306.148   7.0718  638.676   28.958  638.475   38.019  638.954   44.692  306.232   9.1614  306.065   10.775 0.1668396 14.14359 
1 1 1   18   11   19 o  279.122   6.2244  535.156   21.357  542.042   25.430  518.672   39.344  282.471   6.6433  275.773   10.528 6.698334 12.44876 
1 1 1   18   11   20 o  178.456   5.9081  217.114   12.346  217.528   14.250  215.867   24.719  178.989   5.8750  177.924   10.252 1.065308 11.81624 
1 1 1   18   11   21 o  352.482   6.6888  841.595   29.126  834.580   34.615  858.601   53.897  350.379   7.2903  354.584   11.217 -4.205322 13.37765 
1 1 1   18   11   22 o  380.422   6.9809  987.665   32.933  989.088   39.347  984.338   60.184  381.359   7.6136  379.484   11.703 1.874908 13.96182 
1 1 1   18   11   23 o  104.862   6.7001   77.601   6.1223   78.453   6.5360   71.503   17.486  107.532   4.4853  102.191   12.627 5.341606 13.40021 
1 1 1   18   11   24 o  122.085   6.1772  103.740   7.0497  104.618   7.6116   98.442   18.695  124.173   4.5234  119.997   11.496 4.175232 12.35431 
1 1 1   18   11   25 f  319.141   6.0908  693.170   21.434  692.797   24.110  694.575   46.813  319.416   5.5700  318.867   10.834 0.5488586 12.18155 
1 1 1   18   11   26 o  335.752   6.5258  767.163   26.531  765.525   31.165  771.476   50.566  335.561   6.8536  335.944   11.107 -0.3829956 13.05166 
1 1 1   18   11   27 o  153.660   5.3523  160.323   11.145  160.323   11.145   0.0000   0.0000  153.660   5.3523  ?   ?       ?      ? 
1 1 1   18   11   28 o  103.333   4.8251   72.477   6.7566   72.477   6.7566   0.0000   0.0000  103.333   4.8251  ?   ?       ?      ? 
1 1 1   18   11   29 o   73.834   7.1781   37.086   7.1820   37.086   7.1820   0.0000   0.0000   73.834   7.1781  ?   ?       ?      ? 
1 1 1   18   11   30 o  184.178   6.0603  232.354   11.126  232.913   12.160  229.481   27.572  185.230   4.8443  183.127   11.110 2.102814 12.12063 
1 1 1   18   11   31 o  158.977   6.0053  183.100   9.7542  189.368   10.820  155.906   22.536  167.020   4.7807  150.934   11.018 16.08592 12.01066 
1 1 1   18   11   32 o  225.374   5.8701  338.526   15.987  329.639   18.650  363.159   31.050  220.203   6.2498  230.545   9.9384 -10.34242 11.74019 
1 1 1   18   11   33 o  159.833   5.9366  165.083   11.137  156.710   12.720  192.592   23.055  151.826   6.1822  167.840   10.137 -16.01404 11.87316 
1 1 1   18   11   34 o  211.750   5.5970  302.768   12.833  300.946   14.326  310.172   28.875  210.510   5.0218  212.991   10.004 -2.481506 11.19391 
1 1 1   18   11   35 o  175.436   5.7673  217.308   10.726  222.123   11.981  197.875   24.070  180.855   4.8885  170.017   10.447 10.83777 11.53451 
1 1 1   18   11   36 o  116.723   6.0655   84.255   7.3746   79.828   8.0545  107.203   18.339  108.382   5.4840  125.064   10.821 -16.68175 12.13094 
1 1 1   18   11   37 o  152.135   6.0912  156.550   11.185  154.798   13.084  161.304   21.552  150.829   6.4015  153.441   10.365 -2.611771 12.18242 
1 1 1   18   11   38 o  171.604   4.4112  200.405   10.254  207.206   14.535  193.665   14.469  174.514   6.1463  168.694   6.3291 5.819672 8.822383 
1 1 1   18   11   39 o   98.342   6.1082   64.195   7.6105   71.437   13.718   60.976   9.1473  102.098   9.9150   94.585   7.1366 7.513618 12.21631 
1 1 1   18   11   40 o   96.062   5.0671   63.091   6.5631   70.674   9.3154   55.616   9.2482  101.843   6.7498   90.280   7.5593 11.56273 10.13425 
1 1 1   18   11   41 f  103.505   4.8726   73.041   6.8339   74.295   9.7142   71.813   9.6158  104.386   6.8672  102.624   6.9144 1.762398 9.745111 
1 1 1   18   11   42 o  134.420   4.5696  123.253   8.3166  128.446   11.720  117.987   11.803  137.293   6.2995  131.546   6.6212 5.747314 9.139123 
1 1 1   18   11   43 o  122.887   5.7302  105.500   9.0660   96.107   15.046  110.854   11.360  118.292   9.3862  127.482   6.5757 -9.190109 11.46034 
1 1 1   18   11   44 o  111.724   6.0924   89.388   8.5786   74.414   14.434   97.566   10.667  103.885   10.253  119.563   6.5835 -15.67867 12.18477 
1 1 1   18   11   45 o  190.176   4.5340  246.873   11.684  245.178   16.441  248.603   16.609  189.518   6.4016  190.833   6.4225 -1.314728 9.068024 
1 1 1   18   11   46 o  152.067   4.6032  157.887   9.4746  168.863   13.582  147.484   13.223  157.237   6.3743  146.897   6.6427 10.34039 9.206328 
1 1 1   18   11   47 o   71.617   6.0783   35.621   5.8436   31.305   8.4751   39.531   8.0681   67.352   9.2856   75.883   7.8459 -8.530907 12.15653 
1 1 1   18   11   48 o   96.878   5.1799   64.601   6.7428   54.491   9.4485   75.093   9.6254   89.043   7.8303  104.713   6.7832 -15.67020 10.35984 
1 1 1   18   11   49 o  218.079   4.6098  325.827   13.617  329.884   19.050  321.587   19.472  219.508   6.4041  216.649   6.6323 2.859360 9.219520 
1 1 1   18   11   50 o  124.376   6.7122  106.126   11.313  106.126   11.313   0.0000   0.0000  124.376   6.7122  ?   ?       ?      ? 
1 1 1   18   11   51 o  140.933   6.4450  136.271   12.309  136.271   12.309   0.0000   0.0000  140.933   6.4450  ?   ?       ?      ? 
1 1 1   18   11   52 o  111.127   4.9308   85.064   7.4209   87.078   10.405   82.979   10.587  112.503   6.8248  109.750   7.1184 2.752762 9.861559 
1 1 1   18   11   53 f  102.602   5.0246   72.622   6.9858   72.457   9.8240   72.790   9.9357  102.492   7.0732  102.711   7.1384 -0.2185059 10.04920 
1 1 1   18   11   54 o   56.071   7.0902   22.490   5.2463   19.450   7.3170   25.707   7.5261   51.535   10.822   60.607   9.1636 -9.071938 14.18037 
1 1 1   18   11   55 f   39.334   8.4369   11.270   4.8896   11.545   6.9492   11.000   6.8812   39.749   11.940   38.919   11.923 0.8291855 16.87382 
1 1 1   18   11   56 f   90.757   6.5966   59.217   7.6092   54.384   12.938   61.773   9.4084   87.205   10.948   94.308   7.3618 -7.102661 13.19314 
1 1 1   18   11   57 o   71.319   6.2289   35.831   6.0087   33.266   8.4698   38.430   8.5257   68.656   9.1036   73.981   8.5041 -5.325256 12.45771 
1 1 1   18   11   58 o   68.713   6.4475   33.588   5.9542   38.315   8.4175   28.853   8.4236   73.795   8.4173   63.631   9.7688 10.16358 12.89503 
1 1 1   18   11   59 o   32.239   8.2892   5.8088   5.0438   10.625   7.0083   0.6336   7.2646   38.004   12.092   26.473   11.342 11.53058 16.57837 
1 1 1   18   11   60 o   42.876   7.9494   12.726   5.4170   2.7386   7.3905   24.320   7.9631   28.573   11.787   57.179   10.669 -28.60541 15.89880 
1 1 1   18   11   61 o   55.180   9.4589   24.051   6.7577   22.598   11.652   24.788   8.2954   52.903   15.351   57.456   11.056 -4.552452 18.91779 
1 1 1   18   11   62 o   62.868   9.9611   30.185   9.3969   10.189   12.692   54.445   13.980   40.274   15.849   85.462   12.071 -45.18801 19.92220 
1 1 1   18   11   63 o   44.136   15.561   15.032   11.579   0.0000   0.0000   15.032   11.579  ?   ?    44.136   15.561      ?      ? 
1 1 1   18   11   64 o   50.804   16.084   21.451   12.412   0.0000   0.0000   21.451   12.412  ?   ?    50.804   16.084      ?      ? 
1 1 1   18   11   65 o   83.885   12.934   53.965   14.702   0.0000   0.0000   53.965   14.702  ?   ?    83.885   12.934      ?      ? 
1 1 1   18   12    0 f  271.081   4.8273  499.117   17.729  503.870   24.893  494.224   25.256  272.398   6.7437  269.763   6.9089 2.634857 9.654530 
1 1 1   18   12    1 o  102.821   7.3016   70.028   8.5597   68.410   9.7024   75.709   18.180  100.355   7.1344  105.286   12.742 -4.931007 14.60327 
1 1 1   18   12    2 o  165.288   6.1484  179.408   12.060  172.955   13.892  199.141   24.295  159.605   6.4231  170.970   10.486 -11.36557 12.29680 
1 1 1   18   12    3 o  148.026   5.2277  145.793   10.285  164.279   16.582  134.233   13.112  155.467   7.8706  140.584   6.8825 14.88277 10.45536 
1 1 1   18   12    4 o  286.374   5.7737  558.867   21.633  552.506   35.460  562.638   27.303  284.944   9.1834  287.803   7.0005 -2.859222 11.54736 
1 1 1   18   12    5 o  386.951   6.6380  1010.85   33.253  1047.11   56.484  991.617   41.137  391.970   10.634  381.932   7.9480 10.03711 13.27595 
1 1 1   18   12    6 o   80.609   5.9821   44.150   6.5103   44.682   9.6580   43.707   8.8137   81.042   8.7941   80.176   8.1120 0.8656006 11.96415 
1 1 1   18   12    7 o  319.381   6.0078  693.307   25.084  695.755   41.356  691.881   31.549  319.665   9.5469  319.096   7.2960 0.5689697 12.01557 
1 1 1   18   12    8 o  224.088   5.8401  317.479   14.981  298.626   16.881  387.346   32.497  209.735   5.9395  238.441   10.057 -28.70573 11.68027 
1 1 1   18   12    9 o  212.857   5.9984  296.401   15.351  283.543   17.785  333.965   30.398  204.332   6.4229  221.382   10.132 -17.04941 11.99671 
1 1 1   18   12   10 o  216.402   6.0684  319.854   15.697  321.253   18.327  316.001   30.410  217.507   6.2179  215.297   10.423 2.209732 12.13687 
1 1 1   18   12   11 o  127.595   6.4710  112.026   9.3736  113.034   10.689  108.669   19.503  129.021   6.1136  126.169   11.407 2.851883 12.94206 
1 1 1   18   12   12 o  233.805   5.8071  376.794   14.398  379.862   16.023  363.921   32.820  236.602   4.9973  231.008   10.484 5.593643 11.61426 
1 1 1   18   12   13 o  318.578   6.1245  669.559   21.179  655.883   23.579  726.657   48.178  310.834   5.5978  326.321   10.895 -15.48715 12.24891 
1 1 1   18   12   14 o  331.263   6.2877  749.945   22.939  751.981   25.812  742.292   50.032  332.806   5.7234  329.721   11.197 3.085205 12.57532 
1 1 1   18   12   15 f  104.741   7.7296   89.382   6.8032   94.503   7.3285   57.454   18.299  118.021   4.5822   91.461   14.764 26.56087 15.45920 
1 1 1   18   12   16 o  144.144   5.6886  126.509   8.0643  120.479   8.6889  163.984   21.660  133.247   4.8120  155.041   10.309 -21.79489 11.37714 
1 1 1   18   12   17 o   90.246   8.2734   66.146   5.9068   69.252   6.3254   44.980   16.512  101.027   4.6203   79.466   15.889 21.56059 16.54689 
1 1 1   18   12   18 o  108.199   6.7239   77.576   7.8445   76.172   8.7198   83.535   17.965  105.897   6.0763  110.502   11.997 -4.604828 13.44785 
1 1 1   18   12   19 o  254.926   5.7273  436.911   15.677  433.498   17.444  451.247   35.751  252.715   5.0936  257.137   10.260 -4.422470 11.45459 
1 1 1   18   12   20 o  157.119   6.0777  175.108   9.2519  178.298   10.089  158.234   23.203  162.097   4.5928  152.141   11.254 9.956039 12.15544 
1 1 1   18   12   21 o  134.865   4.5898  123.427   8.3883  123.427   8.3883   0.0000   0.0000  134.865   4.5898  ?   ?       ?      ? 
1 1 1   18   12   22 o  154.318   4.6573  161.616   9.7395  161.616   9.7395   0.0000   0.0000  154.318   4.6573  ?   ?       ?      ? 
1 1 1   18   12   23 o   87.015   5.0007   51.400   5.8967   51.400   5.8967   0.0000   0.0000   87.015   5.0007  ?   ?       ?      ? 
1 1 1   18   12   24 o  380.053   6.6633  992.822   28.273  998.613   32.005  972.241   60.334  383.340   6.1609  376.766   11.817 6.574341 13.32660 
1 1 1   18   12   25 f  150.291   6.1708  155.240   8.8520  155.769   9.5849  152.174   23.082  151.491   4.6689  149.091   11.424 2.400238 12.34160 
1 1 1   18   12   26 f  151.217   6.7327  180.936   9.6808  193.775   10.688  122.275   22.845  168.962   4.6679  133.472   12.631 35.48978 13.46547 
1 1 1   18   12   27 f  130.902   6.2392  116.666   7.9406  116.583   8.6228  117.130   20.369  131.043   4.8557  130.760   11.495 0.2834320 12.47843 
1 1 1   18   12   28 o  182.650   5.7896  227.218   10.856  227.152   11.945  227.529   26.023  182.916   4.8190  182.385   10.529 0.5305176 11.57927 
1 1 1   18   12   29 o   31.847   8.9868   4.6572   4.1276   5.3728   4.3319  -2.3968   13.601   28.780   9.5333   34.915   15.237 -6.135269 17.97352 
1 1 1   18   12   30 o  188.105   6.6078  241.899   16.317  242.658   20.679  240.645   26.561  188.683   8.0876  187.527   10.452 1.155716 13.21552 
1 1 1   18   12   31 o  119.729   8.1632   97.739   13.245   97.739   13.245   0.0000   0.0000  119.729   8.1632  ?   ?       ?      ? 
1 1 1   18   12   32 f  129.036   6.2475  113.249   10.924  113.249   10.924   0.0000   0.0000  129.036   6.2475  ?   ?       ?      ? 
1 1 1   18   12   33 o  211.838   5.9339  320.690   13.349  330.282   14.952  283.025   29.629  220.500   5.0040  203.175   10.761 17.32486 11.86786 
1 1 1   18   12   34 o  284.099   5.9790  549.513   18.720  548.377   21.048  553.815   40.952  284.030   5.4685  284.169   10.634 -0.1383667 11.95804 
1 1 1   18   12   35 o  191.220   5.7175  246.641   11.698  244.798   13.005  254.451   26.775  189.801   5.0564  192.640   10.256 -2.838959 11.43503 
1 1 1   18   12   36 o  102.395   6.9740   66.991   8.3149   62.757   9.4392   81.657   17.568   95.936   7.2606  108.854   11.909 -12.91790 13.94805 
1 1 1   18   12   37 o   75.647   8.6427   43.138   6.2958   44.691   6.9370   35.885   14.993   81.007   6.3193   70.287   16.089 10.71960 17.28533 
1 1 1   18   12   38 o  134.497   7.2710  125.516   13.017  131.437   17.134  117.434   20.018  138.488   9.1297  130.507   11.319 7.980927 14.54197 
1 1 1   18   12   39 o   78.776   9.5833   44.525   9.7395   47.417   12.729   40.443   15.126   82.872   11.335   74.680   15.456 8.192123 19.16658 
1 1 1   18   12   40 o  189.378   5.8525  247.537   12.011  248.834   13.454  242.444   26.659  191.228   5.1917  187.529   10.491 3.699341 11.70490 
1 1 1   18   12   41 o  143.357   6.3619  149.851   9.4480  155.224   10.530  127.658   21.399  151.016   5.1454  135.699   11.637 15.31682 12.72386 
1 1 1   18   12   42 o  119.379   6.8683   99.017   9.5531   99.793   11.026   96.680   19.131  120.856   6.7325  117.903   11.974 2.952705 13.73660 
1 1 1   18   12   43 o  200.975   4.6060  275.644   12.508  305.907   18.035  247.602   17.361  211.647   6.2883  190.303   6.7320 21.34383 9.212081 
1 1 1   18   12   44 o  163.561   4.6074  182.928   10.190  167.421   14.261  199.106   14.566  156.430   6.7274  170.693   6.2971 -14.26352 9.214726 
1 1 1   18   12   45 o   66.301   8.6391   30.304   7.7619   0.0000   0.0000   30.304   7.7619  ?   ?    66.301   8.6391      ?      ? 
1 1 1   18   12   46 o   92.775   5.7096   58.885   7.1052   56.627   9.3288   62.004   10.965   90.760   7.5849   94.790   8.5362 -4.029930 11.41915 
1 1 1   18   12   47 o  179.348   5.1808  219.023   12.158  213.144   15.229  229.354   20.187  176.380   6.3717  182.316   8.1709 -5.936325 10.36155 
1 1 1   18   12   48 o   91.580   5.3196   58.051   6.5404   48.777   9.1977   67.537   9.3023   84.031   8.0772   99.130   6.9247 -15.09922 10.63922 
1 1 1   18   12   49 o  149.348   4.5853  153.270   9.2748  156.172   12.982  150.244   13.256  150.834   6.3512  147.863   6.6154 2.971497 9.170681 
1 1 1   18   12   50 o   67.118   8.9988   28.612   6.9722   24.122   7.9397   43.741   14.574   57.743   10.535   76.494   14.592 -18.75108 17.99753 
1 1 1   18   12   51 f  107.905   7.0141   84.572   8.8474   87.616   10.323   76.149   17.172  112.734   6.7572  103.075   12.294 9.658821 14.02828 
1 1 1   18   12   52 o   93.847   5.2473   61.066   6.6155   51.073   9.1817   71.853   9.5400   85.718   7.9044  101.977   6.9034 -16.25916 10.49459 
1 1 1   18   12   53 o   53.053   7.6094   20.552   5.3708   14.894   7.4841   26.560   7.7119   44.668   12.075   61.438   9.2628 -16.77044 15.21883 
1 1 1   18   12   54 o   83.716   5.5864   48.925   6.3371   48.152   8.9409   49.704   8.9833   83.038   7.9455   84.394   7.8549 -1.355682 11.17276 
1 1 1   18   12   55 o   49.966   8.2482   18.764   5.4905   17.176   7.7224   20.387   7.8078   47.700   11.967   52.233   11.355 -4.533077 16.49645 
1 1 1   18   12   56 o   98.623   6.4869   71.527   8.1342   60.511   13.442   77.892   10.217   91.528   10.838  105.718   7.1318 -14.18928 12.97375 
1 1 1   18   12   57 o   76.534   8.2885   41.321   8.5962   0.0000   0.0000   41.321   8.5962  ?   ?    76.534   8.2885      ?      ? 
1 1 1   18   12   58 o   34.407   9.2034   7.3959   5.8421   3.2627   10.452   9.2738   7.0454   32.845   13.817   35.969   12.161 -3.124111 18.40688 
1 1 1   18   12   59 o   54.366   16.408   24.369   13.100   0.0000   0.0000   24.369   13.100  ?   ?    54.366   16.408      ?      ? 
1 1 1   18   12   60 o   41.198   15.906   11.409   12.591   0.0000   0.0000   11.409   12.591  ?   ?    41.198   15.906      ?      ? 
1 1 1   18   12   61 o   29.663   13.302  -2.0009   11.075   0.0000   0.0000  -2.0009   11.075  ?   ?    29.663   13.302      ?      ? 
1 1 1   18   12   62 o   40.519   15.476   11.458   11.832   0.0000   0.0000   11.458   11.832  ?   ?    40.519   15.476      ?      ? 
1 1 1   18   13    0 o  155.174   4.6246  163.737   9.7141  169.000   13.575  158.214   13.906  157.743   6.3506  152.605   6.7245 5.138702 9.249275 
1 1 1   18   13    1 o   54.933   7.5859   21.151   5.5020   22.748   7.4720   19.260   8.1318   57.786   9.5417   52.080   11.796 5.706093 15.17190 
1 1 1   18   13    2 o   79.128   5.8008   43.623   6.0661   51.855   8.3109   34.238   8.8743   87.353   7.0208   70.903   9.2360 16.45016 11.60157 
1 1 1   18   13    3 o  146.396   4.6625  144.693   9.2209  133.122   12.474  158.635   13.692  139.984   6.5755  152.808   6.6121 -12.82414 9.325046 
1 1 1   18   13    4 o  101.410   5.2314   70.038   7.1594   71.373   9.7456   68.473   10.552  102.479   7.0176  100.342   7.7603 2.137138 10.46273 
1 1 1   18   13    5 o  313.168   6.5560  676.693   25.394  689.746   30.421  646.693   46.117  318.565   7.0468  307.770   11.057 10.79507 13.11197 
1 1 1   18   13    6 o   71.212   8.7960   27.926   7.0862   22.685   7.8712   50.343   16.278   56.756   10.624   85.667   14.021 -28.91125 17.59203 
1 1 1   18   13    7 f  252.432   6.2196  437.312   19.092  441.755   22.556  426.085   35.855  254.990   6.5277  249.873   10.589 5.116959 12.43927 
1 1 1   18   13    8 o  160.318   6.1446  181.593   9.8908  185.012   10.876  165.235   23.788  165.117   4.8605  155.520   11.287 9.596878 12.28918 
1 1 1   18   13    9 o   93.114   7.3910   56.726   6.2181   55.920   6.6359   62.528   17.805   90.759   5.3954   95.470   13.762 -4.710472 14.78209 
1 1 1   18   13   10 o   88.956   7.4517   49.343   6.0745   47.804   6.4749   60.642   17.545   83.904   5.6947   94.008   13.772 -10.10409 14.90331 
1 1 1   18   13   11 f  329.070   5.7724  735.383   25.741  735.383   25.741   0.0000   0.0000  329.070   5.7724  ?   ?       ?      ? 
1 1 1   18   13   12 o  352.387   5.9794  843.465   28.554  843.465   28.554   0.0000   0.0000  352.387   5.9794  ?   ?       ?      ? 
1 1 1   18   13   13 o  184.848   4.8647  231.903   12.186  231.903   12.186   0.0000   0.0000  184.848   4.8647  ?   ?       ?      ? 
1 1 1   18   13   14 o  231.257   5.0410  363.023   15.798  363.023   15.798   0.0000   0.0000  231.257   5.0410  ?   ?       ?      ? 
1 1 1   18   13   15 o  154.024   6.1538  160.496   9.1590  160.012   9.9266  163.269   23.754  153.546   4.7707  154.503   11.345 -0.9566498 12.30764 
1 1 1   18   13   16 o  223.798   6.1686  338.573   16.442  335.624   19.099  347.017   32.319  222.228   6.3420  225.367   10.582 -3.139267 12.33715 
1 1 1   18   13   17 o  260.280   6.2887  468.759   19.886  477.954   23.540  445.848   37.159  265.160   6.5511  255.399   10.737 9.760925 12.57743 
1 1 1   18   13   18 o  112.046   7.4496   90.304   9.0292   93.602   10.193   78.289   19.455  117.348   6.4101  106.744   13.450 10.60321 14.89911 
1 1 1   18   13   19 o  114.203   6.7470   83.434   8.7409   79.200   9.8302   99.424   19.104  107.922   6.7215  120.483   11.701 -12.56092 13.49391 
1 1 1   18   13   20 o   78.995   8.0403   36.067   7.3357   30.951   8.2051   56.445   16.376   67.367   8.9877   90.622   13.335 -23.25480 16.08068 
1 1 1   18   13   21 o  336.544   6.7077  776.443   27.911  781.336   33.318  764.930   51.110  338.845   7.2559  334.244   11.284 4.600677 13.41540 
1 1 1   18   13   22 o  153.027   6.3476  158.815   11.324  157.925   13.021  161.581   22.943  152.413   6.3043  153.641   11.019 -1.227737 12.69529 
1 1 1   18   13   23 o  186.441   10.619  237.815   26.830   0.0000   0.0000  237.815   26.830  ?   ?   186.441   10.619      ?      ? 
1 1 1   18   13   24 o   42.221   9.6280   12.940   5.9354   15.486   6.4972   0.0941   14.592   46.670   10.524   37.773   16.126 8.896843 19.25596 
1 1 1   18   13   25 f  130.580   6.7048  117.936   9.7908  119.099   11.103  113.869   20.764  132.350   6.1904  128.811   11.895 3.538834 13.40950 
1 1 1   18   13   26 o  125.898   6.5633  106.175   9.4065  104.456   10.674  112.152   19.901  123.928   6.3560  127.867   11.485 -3.938942 13.12657 
1 1 1   18   13   27 o  201.200   6.0694  271.643   14.428  266.961   16.655  285.724   28.883  198.124   6.2035  204.275   10.434 -6.150330 12.13872 
1 1 1   18   13   28 o  128.108   6.7500  115.064   9.7074  117.434   11.057  107.098   20.276  131.395   6.2098  124.822   11.987 6.572258 13.49992 
1 1 1   18   13   29 o  148.689   5.9773  146.891   8.9284  144.962   9.7404  157.035   22.338  146.083   4.9203  151.296   10.895 -5.213989 11.95451 
1 1 1   18   13   30 o  268.520   5.9593  495.784   17.421  498.163   19.538  486.557   38.480  270.728   5.3255  266.312   10.663 4.415283 11.91858 
1 1 1   18   13   31 o  121.899   6.2382   95.641   7.7070   92.807   8.3958  110.815   19.429  116.845   5.3024  126.954   11.294 -10.10863 12.47641 
1 1 1   18   13   32 o   83.850   8.5108   50.366   7.0476   51.016   7.7823   47.400   16.616   86.539   6.6361   81.161   15.675 5.378838 17.02165 
1 1 1   18   13   33 f   68.911   8.9624   29.888   6.5142   27.753   7.1825   39.786   15.465   63.715   8.3186   74.106   15.878 -10.39101 17.92479 
1 1 1   18   13   34 o   79.730   8.6211   44.139   7.0680   43.827   7.8518   45.472   16.228   80.138   7.2302   79.323   15.653 0.8149033 17.24214 
1 1 1   18   13   35 o  246.404   6.3369  413.812   21.159  413.812   21.159   0.0000   0.0000  246.404   6.3369  ?   ?       ?      ? 
1 1 1   18   13   36 o  184.740   6.3927  232.733   16.004  232.733   16.004   0.0000   0.0000  184.740   6.3927  ?   ?       ?      ? 
1 1 1   18   13   37 f  140.009   6.5465  134.119   10.743  133.507   12.394  135.970   21.543  139.868   6.5391  140.150   11.343 -0.2821960 13.09299 
1 1 1   18   13   38 o  177.423   6.1547  209.148   13.100  201.433   15.186  231.585   25.898  171.762   6.5241  183.084   10.438 -11.32225 12.30944 
1 1 1   18   13   39 o   27.360   8.7878  -1.7777   5.0595  -1.2276   5.4528  -5.1840   13.568   21.880   9.5954   32.839   14.725 -10.95913 17.57566 
1 1 1   18   13   40 o  173.717   6.0515  215.756   11.186  221.227   12.529  194.245   24.842  180.200   5.1306  167.234   10.962 12.96542 12.10303 
1 1 1   18   13   41 o   22.317   9.7262  -0.8981   5.5252  -0.8981   5.5252   0.0000   0.0000   22.317   9.7262  ?   ?       ?      ? 
1 1 1   18   13   42 o   63.875   7.7657   28.049   6.7219   28.049   6.7219   0.0000   0.0000   63.875   7.7657  ?   ?       ?      ? 
1 1 1   18   13   43 o  143.558   6.3781  145.483   9.5594  147.228   10.611  137.964   22.026  146.863   5.3316  140.253   11.589 6.609146 12.75628 
1 1 1   18   13   44 f  148.618   6.0441  146.896   9.5646  143.400   10.584  162.468   22.338  144.885   5.3906  152.350   10.820 -7.465408 12.08825 
1 1 1   18   13   45 o   80.314   8.8706   51.249   6.7436   53.857   7.4476   39.379   15.889   88.635   6.2005   71.992   16.622 16.64352 17.74125 
1 1 1   18   13   46 o   96.993   7.1025   65.314   7.1591   65.008   7.9072   66.704   16.861   97.375   5.9922   96.610   12.879 0.7653961 14.20497 
1 1 1   18   13   47 o   47.643   9.9864   16.673   6.2419   17.087   7.0777   15.226   13.241   48.276   11.057   47.010   16.633 1.265945 19.97283 
1 1 1   18   13   48 o   27.548   7.7665   2.8036   4.3676   4.6759   6.5722   1.3227   5.8449   30.062   11.522   25.035   10.418 5.026638 15.53292 
1 1 1   18   13   49 o   84.369   5.3173   49.362   6.0789   48.563   8.5709   50.171   8.6231   83.672   7.5590   85.066   7.4804 -1.394073 10.63456 
1 1 1   18   13   50 o   85.121   7.5056   49.047   7.6259   46.369   8.7977   57.141   15.293   81.574   7.9585   88.667   12.728 -7.093102 15.01125 
1 1 1   18   13   51 o   58.603   9.4563   29.563   6.8419   33.808   7.8829   16.599   13.776   69.469   8.3736   47.737   16.958 21.73194 18.91255 
1 1 1   18   13   52 o   69.330   8.3231   38.782   6.8296   26.378   11.629   45.312   8.4381   58.127   14.742   80.534   7.7318 -22.40736 16.64619 
1 1 1   18   13   53 o   66.082   8.6796   37.745   6.9609   18.617   11.593   48.530   8.7050   48.902   15.551   83.262   7.7150 -34.35992 17.35915 
1 1 1   18   13   54 o   46.262   9.4822   15.559   6.0352   20.253   10.431   13.197   7.3995   50.762   14.463   41.763   12.267 8.999580 18.96443 
1 1 1   18   13   55 o   47.141   16.735   17.061   13.415   0.0000   0.0000   17.061   13.415  ?   ?    47.141   16.735      ?      ? 
1 1 1   18   13   56 o   37.264   15.279   6.6502   12.324   0.0000   0.0000   6.6502   12.324  ?   ?    37.264   15.279      ?      ? 
1 1 1   18   13   57 f   92.655   12.750   64.693   16.009   0.0000   0.0000   64.693   16.009  ?   ?    92.655   12.750      ?      ? 
1 1 1   18   13   58 o   32.872   14.127   2.3696   11.335   0.0000   0.0000   2.3696   11.335  ?   ?    32.872   14.127      ?      ? 
1 1 1   18   14    0 o  244.267   5.6544  406.723   17.813  408.154   22.059  404.041   30.197  245.055   6.6426  243.479   9.1522 1.575638 11.30870 
1 1 1   18   14    1 o  274.062   5.8072  510.304   20.503  507.988   25.308  514.727   34.972  273.359   6.8318  274.764   9.3925 -1.404724 11.61436 
1 1 1   18   14    2 o  109.786   5.4803   84.497   7.9074  100.337   10.711   65.522   11.723  121.507   6.5050   98.065   8.8215 23.44195 10.96056 
1 1 1   18   14    3 o  257.308   4.8668  450.245   16.951  452.546   23.451  447.728   24.529  258.019   6.7069  256.598   7.0542 1.421387 9.733677 
1 1 1   18   14    4 o  237.515   4.7702  382.739   15.327  371.284   20.949  395.932   22.482  233.714   6.6145  241.316   6.8750 -7.602127 9.540322 
1 1 1   18   14    5 o  266.243   4.8976  482.510   17.651  499.556   24.707  464.741   25.226  271.078   6.7259  261.409   7.1210 9.669006 9.795220 
1 1 1   18   14    6 o  372.695   5.5419  943.998   27.955  917.571   38.411  973.760   40.763  367.183   7.7195  378.207   7.9535 -11.02402 11.08373 
1 1 1   18   14    7 o  275.373   4.9524  515.967   18.450  520.615   25.434  510.805   26.804  276.714   6.7828  274.031   7.2181 2.682343 9.904868 
1 1 1   18   14    8 o  164.786   6.6391  193.631   12.495  201.630   14.415  169.458   25.059  172.254   6.1756  157.318   11.755 14.93654 13.27811 
1 1 1   18   14    9 o   83.116   7.6829   36.836   5.8403   33.788   6.1709   63.027   18.087   70.502   6.4589   95.731   13.942 -25.22827 15.36576 
1 1 1   18   14   10 o  194.989   5.9839  261.583   11.989  262.959   13.213  255.173   28.518  196.812   4.9542  193.166   10.894 3.645325 11.96781 
1 1 1   18   14   11 o   81.466   9.6894   59.923   6.4251   64.593   6.9169   30.545   17.349   97.532   5.2334   65.401   18.659 32.13068 19.37876 
1 1 1   18   14   12 o   70.747   9.7367   30.341   7.0787   27.886   7.7202   43.301   17.737   63.949   8.9087   77.546   17.316 -13.59750 19.47350 
1 1 1   18   14   13 o  170.000   6.2811  194.058   12.455  191.203   14.294  203.066   25.389  167.714   6.2891  172.286   10.875 -4.572464 12.56221 
1 1 1   18   14   14 o  172.327   6.6326  221.675   13.105  242.982   15.406  165.889   24.928  189.086   6.0123  155.568   11.825 33.51749 13.26526 
1 1 1   18   14   15 o  195.440   5.9246  254.538   11.903  251.500   13.065  269.372   28.874  192.456   5.0096  198.424   10.738 -5.967300 11.84916 
1 1 1   18   14   16 o  110.991   7.1147   82.310   7.2106   81.654   7.7211   86.790   20.165  109.650   5.1963  112.332   13.247 -2.682747 14.22941 
1 1 1   18   14   17 o  140.477   6.1244  127.055   8.4502  123.844   9.1443  145.828   22.112  135.047   4.9967  145.907   11.183 -10.85924 12.24881 
1 1 1   18   14   18 o   95.763   6.9966   54.915   6.3580   52.154   6.7971   74.241   17.981   87.605   5.7255  103.920   12.768 -16.31455 13.99323 
1 1 1   18   14   19 o  263.707   6.0154  482.975   17.155  488.911   19.233  459.871   37.944  268.276   5.2905  259.138   10.805 9.138641 12.03085 
1 1 1   18   14   20 o  240.736   5.8868  393.455   15.148  392.340   16.853  398.145   34.558  240.330   5.1746  241.141   10.575 -0.8109436 11.77354 
1 1 1   18   14   21 o  100.212   7.0134   63.488   6.6133   61.600   7.0867   76.218   18.403   95.210   5.4927  105.215   12.907 -10.00565 14.02686 
1 1 1   18   14   22 o  123.540   6.9038  114.386   8.1214  119.067   8.8844   90.591   20.031  132.400   4.9517  114.681   12.889 17.71925 13.80760 
1 1 1   18   14   23 o  316.252   6.2113  673.323   21.517  666.597   24.093  699.819   47.819  313.136   5.6778  319.368   11.049 -6.232574 12.42264 
1 1 1   18   14   24 o  113.803   6.7803   87.118   7.3656   86.510   7.9565   90.761   19.477  112.831   5.2037  114.775   12.522 -1.944206 13.56061 
1 1 1   18   14   25 o  182.795   5.9322  229.099   11.192  229.605   12.342  226.752   26.554  183.831   4.9541  181.759   10.781 2.072571 11.86450 
1 1 1   18   14   26 o  207.147   6.1345  296.102   14.583  298.646   16.708  287.968   29.874  209.520   5.8848  204.774   10.766 4.745682 12.26906 
1 1 1   18   14   27 o  136.663   6.4430  124.795   9.5475  122.815   10.640  132.977   21.629  134.352   5.8442  138.973   11.485 -4.621948 12.88600 
1 1 1   18   14   28 o   84.030   8.5490   49.914   6.3693   50.077   6.8534   48.883   17.253   85.777   5.8959   82.283   16.049 3.493568 17.09804 
1 1 1   18   14   29 o  106.028   7.1134   77.199   7.1520   77.192   7.7301   77.240   18.849  106.528   5.3547  105.527   13.181 1.001137 14.22683 
1 1 1   18   14   30 o  115.224   6.9549  100.578   7.6967  105.194   8.4497   78.092   18.651  124.374   5.0133  106.074   12.975 18.30039 13.90980 
1 1 1   18   14   31 o  197.409   5.8310  271.105   12.242  273.855   13.647  259.778   27.698  200.654   5.0188  194.164   10.527 6.490021 11.66194 
1 1 1   18   14   32 o  199.398   5.7675  266.066   12.182  262.371   13.482  282.495   28.426  196.370   5.0665  202.425   10.363 -6.054764 11.53501 
1 1 1   18   14   33 o   88.306   8.9285   61.000   8.1062   65.667   9.2294   45.252   16.954   98.036   6.9471   78.576   16.450 19.46088 17.85695 
1 1 1   18   14   34 o  163.254   6.1964  175.646   12.007  168.081   13.819  198.949   24.253  156.890   6.4998  169.618   10.551 -12.72874 12.39277 
1 1 1   18   14   35 o   94.844   7.4716   61.621   9.6029   61.621   9.6029   0.0000   0.0000   94.844   7.4716  ?   ?       ?      ? 
1 1 1   18   14   36 o   72.575   8.6895   36.257   8.5460   36.257   8.5460   0.0000   0.0000   72.575   8.6895  ?   ?       ?      ? 
1 1 1   18   14   37 o  126.994   6.6632  100.278   8.2005   95.870   8.8192  128.433   22.288  118.548   5.4897  135.441   12.143 -16.89370 13.32648 
1 1 1   18   14   38 o   99.720   7.3166   71.914   7.1690   73.305   7.8534   64.963   17.558  103.622   5.5927   95.819   13.522 7.803421 14.63324 
1 1 1   18   14   39 o   34.700   8.2857   7.6419   5.7420   13.675   6.2323 -26.2381   14.769   43.448   10.664   25.953   12.684 17.49551 16.57140 
1 1 1   18   14   40 o  126.118   5.3183  108.622   9.0893  108.622   9.0893   0.0000   0.0000  126.118   5.3183  ?   ?       ?      ? 
1 1 1   18   14   41 o   45.585   9.6819   15.220   5.5066   15.967   6.0070   11.289   13.781   47.065   9.7395   44.105   16.736 2.959507 19.36383 
1 1 1   18   14   42 o  115.856   6.7213   98.013   8.0565  100.743   8.9639   86.539   18.376  121.355   5.4507  110.357   12.288 10.99897 13.44257 
1 1 1   18   14   43 o   77.353   8.2739   41.989   6.3784   41.418   7.0213   44.688   15.258   77.586   6.6781   77.119   15.140 0.4666977 16.54772 
1 1 1   18   14   44 o  110.039   6.5053   81.222   7.6014   79.193   8.4070   90.316   17.796  107.444   5.7740  112.633   11.659 -5.189056 13.01053 
1 1 1   18   14   45 o  111.620   6.5103   79.391   7.5977   75.216   8.3163  100.463   18.683  104.642   5.8647  118.597   11.625 -13.95483 13.02062 
1 1 1   18   14   46 o   41.076   9.6670   11.208   5.2084   11.029   5.7034   12.111   12.782   38.772   10.566   43.380   16.191 -4.607849 19.33405 
1 1 1   18   14   47 o  106.786   6.6105   74.483   7.3341   71.361   8.0332   90.112   17.975  101.831   5.8214  111.742   11.870 -9.910751 13.22099 
1 1 1   18   14   48 o   66.059   9.4171   32.145   7.1712   31.627   8.2350   33.770   14.588   66.967   9.0744   65.151   16.504 1.816574 18.83422 
1 1 1   18   14   49 o   43.916   9.4774   15.726   6.3856   19.255   7.3431   4.7797   12.933   50.847   10.978   36.985   15.452 13.86266 18.95485 
1 1 1   18   14   50 o   38.136   10.115   3.8034   7.4855  -4.4572   9.2004   19.980   12.875   25.886   11.813   50.385   16.423 -24.49864 20.23020 
1 1 1   18   14   51 o  152.499   11.060  169.111   22.857   0.0000   0.0000  169.111   22.857  ?   ?   152.499   11.060      ?      ? 
1 1 1   18   14   52 o   50.544   17.010   20.528   13.783   0.0000   0.0000   20.528   13.783  ?   ?    50.544   17.010      ?      ? 
1 1 1   18   14   53 o   62.048   16.304   31.739   13.888   0.0000   0.0000   31.739   13.888  ?   ?    62.048   16.304      ?      ? 
1 1 1   18   14   54 o   56.171   17.165   26.583   14.272   0.0000   0.0000   26.583   14.272  ?   ?    56.171   17.165      ?      ? 
1 1 1   18   15    0 o  266.730   6.2905  470.564   21.147  524.902   38.525  447.130   25.300  277.133   10.258  256.327   7.2835 20.80652 12.58095 
1 1 1   18   15    1 o   38.439   10.948   3.1584   7.7740   10.740   15.625   0.6640   8.9620   46.623   17.790   30.255   12.765 16.36799 21.89536 
1 1 1   18   15    2 o  221.757   4.8499  335.138   14.547  351.013   20.306  318.403   20.849  227.194   6.5956  216.320   7.1123 10.87457 9.699841 
1 1 1   18   15    3 o   58.348   8.1867   22.999   6.3629   12.180   8.3635   37.867   9.8043   42.233   13.179   74.462   9.7162 -32.22907 16.37345 
1 1 1   18   15    4 f  125.280   5.2210  104.186   8.7373   84.005   11.443  132.404   13.531  111.074   7.6023  139.486   7.1582 -28.41223 10.44195 
1 1 1   18   15    5 o  253.668   4.9284  438.780   16.869  487.831   23.950  390.481   23.765  267.824   6.5988  239.512   7.3221 28.31152 9.856832 
1 1 1   18   15    6 o  141.361   4.9091  135.079   9.3689  125.960   12.601  146.351   14.010  136.070   6.8337  146.652   7.0496 -10.58228 9.818189 
1 1 1   18   15    7 o   99.101   5.4667   65.983   7.2881   59.315   9.6292   74.926   11.151   93.326   7.6138  104.875   7.8465 -11.54855 10.93334 
1 1 1   18   15    8 o   84.948   9.7229   58.551   8.1293   63.682   9.1222   38.755   17.917   96.739   6.9585   73.157   18.158 23.58156 19.44584 
1 1 1   18   15    9 o  138.888   6.6749  141.987   9.0251  147.033   9.9020  117.221   21.936  147.146   4.9658  130.630   12.392 16.51624 13.34979 
1 1 1   18   15   10 o   89.099   7.8886   54.317   6.4688   54.287   6.9501   54.515   17.690   89.375   5.7384   88.823   14.697 0.5518112 15.77721 
1 1 1   18   15   11 o   88.255   8.5209   54.059   6.6001   53.988   7.0791   54.525   18.252   89.121   5.8616   87.388   16.002 1.732925 17.04181 
1 1 1   18   15   12 o  124.128   6.6152  100.440   7.9345   98.470   8.5670  112.324   21.041  120.394   5.2510  127.861   12.144 -7.466354 13.23041 
1 1 1   18   15   13 o  108.836   8.0452   95.633   7.7573  101.597   8.4369   63.027   19.728  122.298   5.0908   95.374   15.264 26.92362 16.09033 
1 1 1   18   15   14 o  179.330   6.2404  227.480   11.427  231.858   12.621  207.578   26.907  184.751   5.0412  173.908   11.417 10.84279 12.48086 
1 1 1   18   15   15 f  172.752   6.0412  194.935   10.638  190.595   11.623  217.324   26.399  167.494   5.1209  178.010   10.943 -10.51581 12.08236 
1 1 1   18   15   16 f  301.802   6.2090  608.397   20.375  599.329   22.730  645.472   45.961  296.915   5.6492  306.690   11.059 -9.775177 12.41806 
1 1 1   18   15   17 o   37.042   10.326   5.6130   5.1259   5.5122   5.4020   6.5237   16.240   30.216   10.631   43.868   17.704 -13.65194 20.65103 
1 1 1   18   15   18 o  229.830   6.2680  364.438   16.667  367.671   19.169  354.417   33.744  232.466   6.0848  227.193   10.960 5.273392 12.53593 
1 1 1   18   15   19 o   99.627   7.8656   69.695   7.8532   70.454   8.6173   65.975   19.076  101.742   6.2501   97.512   14.436 4.230507 15.73129 
1 1 1   18   15   20 o   57.753   9.9217   24.993   5.9878   25.948   6.4631   19.210   15.909   61.663   7.7345   53.843   18.274 7.820320 19.84337 
1 1 1   18   15   21 o  151.673   6.0583  148.790   9.3498  144.655   10.200  170.541   23.395  145.872   5.1598  157.475   10.963 -11.60272 12.11658 
1 1 1   18   15   22 o   74.187   9.5387   40.774   7.1899   41.912   7.9767   35.843   16.602   78.362   7.5116   70.012   17.536 8.349518 19.07731 
1 1 1   18   15   23 o  128.024   6.5706  105.218   9.5638   99.716   10.765  125.838   20.838  120.957   6.5672  135.091   11.383 -14.13373 13.14122 
1 1 1   18   15   24 o  120.915   6.8090   94.175   9.3351   89.442   10.500  112.021   20.389  114.518   6.7662  127.313   11.818 -12.79454 13.61800 
1 1 1   18   15   25 o  179.182   6.3198  225.786   13.236  231.699   15.371  208.828   26.031  184.396   6.1513  173.967   11.042 10.42892 12.63956 
1 1 1   18   15   26 o   63.732   10.096   31.396   6.9600   33.077   7.6927   23.811   16.340   69.502   8.1676   57.962   18.465 11.53999 20.19111 
1 1 1   18   15   27 o  207.664   6.3066  299.694   15.466  303.624   17.991  288.571   30.270  210.988   6.2925  204.339   10.931 6.648788 12.61319 
1 1 1   18   15   28 o   52.360   10.701   17.446   6.4366   16.365   7.0271   23.083   16.041   47.705   11.082   57.014   18.310 -9.309456 21.40210 
1 1 1   18   15   29 o  184.663   6.2611  232.748   15.668  232.748   15.668   0.0000   0.0000  184.663   6.2611  ?   ?       ?      ? 
1 1 1   18   15   30 o   46.015   9.5596   15.127   5.7663   15.127   5.7663   0.0000   0.0000   46.015   9.5596  ?   ?       ?      ? 
1 1 1   18   15   31 o   92.953   9.0247   69.904   7.0916   73.269   7.6741   50.229   18.556  103.663   5.4629   82.242   17.203 21.42088 18.04949 
1 1 1   18   15   32 o   82.617   9.0720   54.785   6.5724   57.347   7.1375   40.503   16.853   91.661   5.7462   73.574   17.210 18.08700 18.14390 
1 1 1   18   15   33 o  204.648   5.8001  281.107   12.632  276.757   14.000  300.168   29.304  201.475   5.1277  207.821   10.405 -6.346237 11.60013 
1 1 1   18   15   34 o   93.865   7.8069   65.723   6.8932   67.597   7.5040   55.597   17.444   99.493   5.5657   88.238   14.588 11.25468 15.61380 
1 1 1   18   15   35 o  136.247   6.1466  128.094   8.7201  127.958   9.6385  128.704   20.469  136.924   5.1945  135.568   11.142 1.355927 12.29322 
1 1 1   18   15   36 o   41.997   8.6125   14.248   5.0922   16.829   5.5012  -1.1940   13.457   49.358   8.2247   34.636   15.135 14.72155 17.22507 
1 1 1   18   15   37 o   69.482   9.0661   37.693   5.9084   38.954   6.4331   30.891   14.937   75.364   6.2990   63.600   17.003 11.76344 18.13218 
1 1 1   18   15   38 o   92.496   8.4938   71.397   7.1505   76.908   7.9220   47.166   16.612  106.010   5.5145   78.981   16.068 27.02876 16.98755 
1 1 1   18   15   39 o   51.807   9.8352   17.049   5.4511   15.732   5.8952   24.819   14.315   46.628   9.6479   56.986   17.142 -10.35777 19.67035 
1 1 1   18   15   40 o   52.174   9.2928   20.778   5.4843   21.550   6.0055   16.900   13.458   55.737   7.9511   48.612   16.799 7.124233 18.58555 
1 1 1   18   15   41 o   64.646   9.3000   35.811   6.1713   38.784   6.8296   22.581   14.408   74.979   6.7215   54.313   17.343 20.66690 18.59999 
1 1 1   18   15   42 o   45.658   9.6544   14.610   5.3623   14.354   5.8874   15.854   12.989   44.258   10.046   47.058   16.489 -2.799709 19.30875 
1 1 1   18   15   43 o   61.606   9.9797   25.910   6.7393   24.264   7.4459   33.372   15.851   58.672   9.3648   64.540   17.626 -5.867226 19.95937 
1 1 1   18   15   44 o   94.238   7.2101   61.706   9.2077   61.706   9.2077   0.0000   0.0000   94.238   7.2101  ?   ?       ?      ? 
1 1 1   18   15   45 o   83.672   8.8616   54.085   8.0148   56.207   9.2055   47.434   16.294   89.746   7.5692   77.598   16.025 12.14813 17.72311 
1 1 1   18   15   46 o  141.122   11.606  145.028   22.195   0.0000   0.0000  145.028   22.195  ?   ?   141.122   11.606      ?      ? 
1 1 1   18   15   47 o   97.767   13.249   71.433   17.553   0.0000   0.0000   71.433   17.553  ?   ?    97.767   13.249      ?      ? 
1 1 1   18   15   48 o   85.656   14.062   55.782   16.323   0.0000   0.0000   55.782   16.323  ?   ?    85.656   14.062      ?      ? 
1 1 1   18   15   49 o   61.003   16.729   30.838   14.243   0.0000   0.0000   30.838   14.243  ?   ?    61.003   16.729      ?      ? 
1 1 1   18   16    0 o   71.594   6.8979   35.181   6.6218   35.964   8.8083   34.164   10.042   72.566   8.9573   70.622   10.492 1.943405 13.79581 
1 1 1   18   16    1 o   61.327   7.9930   25.629   6.4500   21.821   8.4172   31.047   10.039   55.371   11.590   67.283   11.010 -11.91241 15.98593 
1 1 1   18   16    2 o   65.141   7.4071   28.791   6.4844   27.029   8.5388   31.192   9.9663   62.839   10.027   67.443   10.905 -4.604233 14.81414 
1 1 1   18   16    3 o   53.860   8.4194   21.575   6.1636   28.537   8.1874   12.469   9.3638   64.607   9.3515   43.113   14.003 21.49390 16.83879 
1 1 1   18   16    4 f   78.616   6.8433   44.206   6.9603   53.359   9.2857   32.468   10.515   88.465   7.7457   68.768   11.284 19.69724 13.68657 
1 1 1   18   16    5 o  122.630   6.9704  100.283   10.726  109.997   19.623   96.144   12.809  126.538   11.444  118.722   7.9616 7.816299 13.94082 
1 1 1   18   16    6 o   74.654   10.120   38.179   10.238   0.0000   0.0000   38.179   10.238  ?   ?    74.654   10.120      ?      ? 
1 1 1   18   16    7 o  143.175   7.4253  139.737   14.407   0.0000   0.0000  139.737   14.407  ?   ?   143.175   7.4253      ?      ? 
1 1 1   18   16    8 o  123.913   7.7016   99.400   11.951   90.673   14.130  121.339   22.403  115.153   9.0548  132.672   12.461 -17.51873 15.40318 
1 1 1   18   16    9 o  125.194   7.6462  120.868   9.7612  129.490   10.953   87.583   21.519  137.972   5.8580  112.416   14.126 25.55575 15.29234 
1 1 1   18   16   10 o  250.546   6.5328  446.043   19.173  464.077   22.377  396.249   37.183  261.097   6.3244  239.996   11.433 21.10152 13.06556 
1 1 1   18   16   11 o   98.581   8.8673   73.433   7.4379   75.423   8.0018   60.784   20.171  105.307   5.6072   91.855   16.825 13.45167 17.73467 
1 1 1   18   16   12 o  212.116   5.9897  295.315   13.283  288.602   14.613  327.234   31.862  206.033   5.2339  218.199   10.776 -12.16582 11.97948 
1 1 1   18   16   13 o  110.888   7.3531   82.908   7.7214   82.293   8.3281   86.672   20.607  109.987   5.5876  111.788   13.603 -1.801308 14.70614 
1 1 1   18   16   14 o  194.371   6.1283  260.069   12.335  260.944   13.620  256.079   29.088  195.904   5.1303  192.837   11.131 3.067017 12.25658 
1 1 1   18   16   15 o  149.388   6.4259  150.555   9.5243  149.458   10.376  156.428   24.005  148.250   5.1647  150.527   11.768 -2.276703 12.85174 
1 1 1   18   16   16 o  112.047   7.1316   82.400   7.6423   80.854   8.2376   91.948   20.475  108.998   5.5770  115.095   13.128 -6.097069 14.26320 
1 1 1   18   16   17 f   77.786   9.5413   45.200   6.4545   46.037   6.9250   39.664   17.814   82.195   6.2172   73.378   18.041 8.817116 19.08260 
1 1 1   18   16   18 o  211.485   6.0689  311.108   13.473  313.915   14.958  299.035   31.020  214.809   5.1385  208.161   10.997 6.648392 12.13788 
1 1 1   18   16   19 o  104.746   7.7355   80.337   7.4948   82.211   8.1153   69.468   19.544  109.891   5.4495   99.602   14.480 10.28902 15.47107 
1 1 1   18   16   20 o  116.591   7.2972   95.655   7.9871   96.438   8.6358   91.023   21.004  119.018   5.3544  114.164   13.577 4.854195 14.59441 
1 1 1   18   16   21 o  215.795   5.1919  317.008   15.183  317.008   15.183   0.0000   0.0000  215.795   5.1919  ?   ?       ?      ? 
1 1 1   18   16   22 o   52.616   8.4290   19.001   6.0100   19.001   6.0100   0.0000   0.0000   52.616   8.4290  ?   ?       ?      ? 
1 1 1   18   16   23 o  114.867   5.5449   89.927   8.6311   89.927   8.6311   0.0000   0.0000  114.867   5.5449  ?   ?       ?      ? 
1 1 1   18   16   24 o  202.905   6.2949  297.220   13.267  305.723   14.768  261.652   30.203  211.854   5.1440  193.956   11.491 17.89859 12.58986 
1 1 1   18   16   25 o   90.076   7.8044   53.713   6.8281   52.584   7.3843   60.371   17.934   87.738   6.2106   92.414   14.320 -4.675987 15.60888 
1 1 1   18   16   26 f   89.227   7.3392   50.198   6.5656   47.937   7.1154   63.154   17.034   83.747   6.2697   94.707   13.272 -10.96049 14.67843 
1 1 1   18   16   27 o   70.286   8.9556   32.736   5.9875   31.634   6.4670   39.355   15.845   67.936   7.0245   72.636   16.476 -4.700233 17.91129 
1 1 1   18   16   28 o  116.889   6.5667   89.239   7.8251   86.614   8.5427  102.927   19.506  112.626   5.5972  121.151   11.881 -8.525101 13.13340 
1 1 1   18   16   29 o   73.701   9.5426   56.101   6.6138   64.149   7.2574   16.671   16.064   96.915   5.5259   50.487   18.268 46.42812 19.08520 
1 1 1   18   16   30 o   58.020   9.3933   27.051   5.5909   28.473   6.0581   18.883   14.517   64.396   6.9422   51.645   17.457 12.75108 18.78661 
1 1 1   18   16   31 o  132.107   6.3232  119.039   8.5046  118.016   9.3272  124.082   20.711  131.447   5.2362  132.766   11.511 -1.318588 12.64636 
1 1 1   18   16   32 f   42.189   9.0890   14.092   5.1846   16.064   5.5872   1.8728   13.909   47.355   9.0363   37.023   15.773 10.33197 18.17801 
1 1 1   18   16   33 f   80.138   7.4734   42.003   6.0851   40.483   6.6325   50.085   15.296   76.783   6.3742   83.492   13.520 -6.709030 14.94688 
1 1 1   18   16   34 o   64.824   9.0526   31.161   5.7170   31.435   6.2246   29.680   14.454   67.568   6.7981   62.079   16.781 5.489235 18.10525 
1 1 1   18   16   35 o   70.208   8.5140   33.083   5.8375   31.814   6.3496   40.007   14.837   67.924   6.8983   72.492   15.568 -4.568687 17.02804 
1 1 1   18   16   36 o   77.315   8.8061   49.529   6.3223   52.671   6.9709   34.965   15.008   87.573   5.8741   67.057   16.604 20.51549 17.61225 
1 1 1   18   16   37 o   34.646   9.2608   7.2210   5.4845   8.8365   6.1184   0.6147   12.373   35.354   11.303   33.937   14.673 1.417362 18.52153 
1 1 1   18   16   38 o  104.452   6.8188   75.475   8.1099   74.199   9.2196   79.837   17.050  103.656   6.5635  105.248   11.954 -1.592796 13.63767 
1 1 1   18   16   39 o   37.130   9.8701   7.9896   5.6134   7.8713   6.1946   8.5327   13.274   33.828   11.403   40.432   16.113 -6.603851 19.74029 
1 1 1   18   16   40 o   33.882   9.6634   4.3763   5.4526   3.4588   6.0063   8.6754   13.002   27.587   10.888   40.178   15.968 -12.59166 19.32678 
1 1 1   18   16   41 o   90.464   7.1588   50.318   7.6516   42.931   8.6554   76.740   16.369   78.222   8.1654  102.706   11.761 -24.48367 14.31758 
1 1 1   18   16   42 o   26.099   12.295 -10.0085   11.245   0.0000   0.0000 -10.0085   11.245  ?   ?    26.099   12.295      ?      ? 
1 1 1   18   16   43 o   25.318   12.125 -13.8670   11.870   0.0000   0.0000 -13.8670   11.870  ?   ?    25.318   12.125      ?      ? 
1 1 1   18   16   44 o  126.069   11.638  116.728   19.883   0.0000   0.0000  116.728   19.883  ?   ?   126.069   11.638      ?      ? 
1 1 1   18   17    0 o   67.850   7.8657   30.641   6.8442   21.265   8.7594   45.337   10.967   54.443   12.178   81.258   9.9591 -26.81481 15.73148 
1 1 1   18   17    1 o   66.488   10.729   35.999   8.0956   39.497   9.0299   21.670   18.275   75.951   8.7734   57.024   19.583 18.92611 21.45857 
1 1 1   18   17    2 o  216.982   6.6290  326.815   17.146  331.329   20.048  314.523   33.084  220.444   6.7111  213.521   11.434 6.923431 13.25791 
1 1 1   18   17    3 o  182.492   5.0565  226.372   12.407  220.322   16.446  234.361   18.900  179.745   6.7518  185.239   7.5291 -5.493774 10.11310 
1 1 1   18   17    4 o  141.264   5.1826  136.523   9.8439  138.477   13.181  134.058   14.803  142.482   6.8264  140.047   7.7999 2.434418 10.36527 
1 1 1   18   17    5 o  111.670   5.6026   85.364   8.3807   85.889   11.067   84.659   12.832  112.151   7.2819  111.188   8.5165 0.9638901 11.20522 
1 1 1   18   17    6 o  146.696   5.1291  148.739   10.060  161.950   13.582  132.682   14.974  154.113   6.5033  139.279   7.9333 14.83354 10.25822 
1 1 1   18   17    7 o  210.315   4.8887  302.501   13.880  309.479   18.950  294.425   20.386  213.012   6.5648  207.617   7.2459 5.394638 9.777493 
1 1 1   18   17    8 o  124.910   7.6743  109.924   10.641  111.706   12.062  103.670   22.600  127.911   6.9588  121.908   13.680 6.003029 15.34859 
1 1 1   18   17    9 o   83.204   10.324   69.519   7.3917   77.665   8.0361   24.751   18.838  106.796   5.5527   59.612   19.887 47.18412 20.64742 
1 1 1   18   17   10 o   53.639   9.1234   28.006   6.0015   32.419   6.4092  -3.4102   17.100   68.901   6.8643   38.377   16.907 30.52451 18.24688 
1 1 1   18   17   11 o   74.308   8.8013   37.910   8.8627   37.910   8.8627   0.0000   0.0000   74.308   8.8013  ?   ?       ?      ? 
1 1 1   18   17   12 o   64.180   9.4977   28.355   8.2604   28.355   8.2604   0.0000   0.0000   64.180   9.4977  ?   ?       ?      ? 
1 1 1   18   17   13 o   63.968   9.6482   28.197   8.3636   28.197   8.3636   0.0000   0.0000   63.968   9.6482  ?   ?       ?      ? 
1 1 1   18   17   14 f  162.591   6.5998  180.593   14.542  180.593   14.542   0.0000   0.0000  162.591   6.5998  ?   ?       ?      ? 
1 1 1   18   17   15 o  125.686   7.0861  107.150   8.6065  106.306   9.3233  112.016   22.381  124.887   5.5090  126.484   13.058 -1.597549 14.17219 
1 1 1   18   17   16 o  122.755   7.4740  110.493   8.6806  113.190   9.4450   95.823   22.027  128.867   5.4085  116.644   13.935 12.22357 14.94804 
1 1 1   18   17   17 o  131.934   7.1627  131.251   9.1550  136.688   10.060  105.048   22.085  141.623   5.2418  122.244   13.332 19.37901 14.32543 
1 1 1   18   17   18 o  165.772   6.5417  197.009   10.933  200.960   12.048  178.577   26.024  171.714   5.1777  159.831   12.015 11.88232 13.08343 
1 1 1   18   17   19 o   86.627   8.5657   53.293   6.8064   53.321   7.3717   53.130   17.723   88.328   6.1587   84.926   15.986 3.401955 17.13145 
1 1 1   18   17   20 o   78.171   8.7284   37.783   6.3174   35.624   6.7670   52.433   17.625   72.098   6.9261   84.245   16.024 -12.14701 17.45673 
1 1 1   18   17   21 o   93.597   7.6561   57.960   6.9400   56.653   7.4992   65.756   18.316   91.021   6.0798   96.173   14.054 -5.151825 15.31227 
1 1 1   18   17   22 o  200.405   6.2917  292.297   13.134  301.485   14.648  254.610   29.664  210.215   5.1418  190.596   11.485 19.61942 12.58348 
1 1 1   18   17   23 o  110.779   7.3162   88.215   7.8173   89.437   8.5174   81.684   19.690  114.419   5.4932  107.138   13.562 7.281555 14.63240 
1 1 1   18   17   24 o  141.842   6.3374  138.425   9.1568  137.891   10.055  141.017   22.158  142.102   5.2218  141.582   11.549 0.5202942 12.67478 
1 1 1   18   17   25 o  122.236   7.0123  109.612   8.3501  112.268   9.1444   96.282   20.484  128.188   5.2641  116.283   12.999 11.90448 14.02465 
1 1 1   18   17   26 o   79.419   9.4776   52.979   6.6155   55.991   7.1857   36.223   16.947   90.413   5.8648   68.426   18.025 21.98752 18.95522 
1 1 1   18   17   27 o  102.549   7.1084   73.177   7.2506   72.957   7.9214   74.312   18.004  103.217   5.6633  101.882   13.040 1.335213 14.21688 
1 1 1   18   17   28 f   48.116   9.9855   10.460   5.2384   7.4578   5.6120   30.781   14.600   33.025   10.847   63.206   16.769 -30.18145 19.97105 
1 1 1   18   17   29 o   46.856   10.050   9.9527   5.1351   7.2696   5.4861   28.930   14.590   32.600   10.725   61.113   16.999 -28.51248 20.09937 
1 1 1   18   17   30 o  152.491   6.7775  183.546   10.252  195.928   11.429  132.573   23.189  169.233   4.9836  135.749   12.606 33.48383 13.55510 
1 1 1   18   17   31 o   75.032   9.3828   43.527   7.0151   44.736   7.7690   38.187   16.324   80.423   7.1286   69.642   17.359 10.78142 18.76558 
1 1 1   18   17   32 o   86.326   7.5508   45.390   7.1785   40.626   7.9218   67.267   16.975   76.474   7.6441   96.178   13.024 -19.70391 15.10152 
1 1 1   18   17   33 o   58.079   9.8257   26.617   6.2691   27.581   6.8728   21.846   15.297   62.876   8.0662   53.282   17.920 9.593704 19.65135 
1 1 1   18   17   34 o   45.432   9.6234   16.372   5.7820   17.867   6.3433   9.0333   14.058   49.447   9.8129   41.417   16.557 8.030010 19.24679 
1 1 1   18   17   35 o   34.228   9.7664   3.7081   5.3826   2.2947   5.8763   11.075   13.415   26.002   10.593   42.454   16.411 -16.45226 19.53282 
1 1 1   18   17   36 o   40.681   10.056   7.8701   5.5351   5.1787   6.0810   20.874   13.367   29.818   11.160   51.543   16.730 -21.72429 20.11110 
1 1 1   18   17   37 o   34.528   15.080   0.6474   13.345   0.0000   0.0000   0.6474   13.345  ?   ?    34.528   15.080      ?      ? 
1 1 1   18   17   38 o   86.934   13.995   57.093   16.487   0.0000   0.0000   57.093   16.487  ?   ?    86.934   13.995      ?      ? 
1 1 1   18   18    0 o  154.861   5.9507  160.405   11.814  151.913   14.360  178.196   20.785  148.991   7.1123  160.731   9.5426 -11.73967 11.90149 
1 1 1   18   18    1 o   97.485   7.6183   72.081   8.9349   83.345   11.005   50.296   15.304  110.311   7.3620   84.660   13.340 25.65047 15.23653 
1 1 1   18   18    2 o   90.762   6.4773   57.008   7.7700   57.899   9.9939   55.647   12.355   91.839   8.0302   89.685   10.166 2.153763 12.95464 
1 1 1   18   18    3 o  112.586   6.0004   91.799   8.6525  115.468   11.652   62.705   12.919  129.955   6.6165   95.216   10.012 34.73892 12.00086 
1 1 1   18   18    4 o   53.278   9.1499   19.628   6.4499   15.471   8.1797   26.462   10.488   46.256   12.674   60.300   13.201 -14.04385 18.29986 
1 1 1   18   18    5 o  129.754   5.3104  115.293   9.2485  114.250   12.239  116.681   14.121  129.175   6.9917  130.333   7.9949 -1.158249 10.62086 
1 1 1   18   18    6 o   35.404   10.515   3.4918   6.7772   4.0138   7.4096   0.8190   16.765   30.778   12.110   40.030   17.192 -9.252216 21.02903 
1 1 1   18   18    7 o  101.783   8.2491   74.941   9.2253   77.002   10.459   67.720   19.578  105.973   7.2832   97.593   14.804 8.379639 16.49822 
1 1 1   18   18    8 o   90.660   8.1993   48.984   8.4835   42.801   9.4598   74.388   19.175   78.768   8.8623  102.551   13.798 -23.78251 16.39861 
1 1 1   18   18    9 o   91.152   9.1977   63.083   8.6489   65.892   9.7706   52.916   18.591   97.988   7.3581   84.316   16.860 13.67131 18.39545 
1 1 1   18   18   10 o   42.549   10.857   8.6296   6.4241   6.6560   7.0578   18.164   15.512   33.437   12.107   51.661   18.025 -18.22459 21.71326 
1 1 1   18   18   11 o   58.843   10.042   23.358   5.7749   22.867   6.1653   26.876   16.491   57.645   7.8924   60.041   18.468 -2.396233 20.08404 
1 1 1   18   18   12 o   64.121   9.7056   39.030   6.1673   42.988   6.6456   14.459   16.556   79.261   6.1872   48.981   18.399 30.28001 19.41115 
1 1 1   18   18   13 o  108.374   6.7411   67.299   7.2752   61.528   7.8175  104.614   19.879   94.826   6.0836  121.923   12.032 -27.09720 13.48218 
1 1 1   18   18   14 o   49.571   10.372   14.763   5.4634   13.667   5.8284   22.697   15.685   43.471   10.089   55.671   18.126 -12.20072 20.74428 
1 1 1   18   18   15 o   64.348   8.9932   46.007   6.4014   54.013   6.9587   1.9402   16.326   88.861   5.7787   39.836   17.033 49.02518 17.98637 
1 1 1   18   18   16 o   74.744   9.4439   37.782   6.3854   36.789   6.8402   44.520   17.810   73.172   6.8983   76.317   17.583 -3.145493 18.88777 
1 1 1   18   18   17 o  109.085   7.2347   83.217   7.7153   83.229   8.4016   83.154   19.490  110.297   5.6210  107.873   13.333 2.423210 14.46938 
1 1 1   18   18   18 o   95.941   7.9059   69.239   7.2504   71.352   7.9272   58.422   17.933  102.085   5.7302   89.796   14.737 12.28971 15.81174 
1 1 1   18   18   19 o   87.680   8.7232   60.960   6.9018   63.611   7.5477   47.436   17.051   96.359   5.7802   79.000   16.461 17.35917 17.44648 
1 1 1   18   18   20 o  121.350   7.0136   98.383   9.9758   93.865   11.412  113.029   20.544  116.654   7.2187  126.046   12.027 -9.391983 14.02723 
1 1 1   18   18   21 o  119.520   7.2591  100.970   10.064  101.501   11.599   99.351   20.243  121.312   7.0555  117.729   12.689 3.583450 14.51818 
1 1 1   18   18   22 o  111.296   7.4725   85.116   9.5443   83.087   10.869   91.949   19.947  109.641   7.3155  112.950   13.032 -3.308716 14.94504 
1 1 1   18   18   23 o   89.426   9.7816   61.566   10.663   67.922   13.331   50.275   17.768   98.212   10.016   80.640   16.805 17.57249 19.56326 
1 1 1   18   18   24 o   57.401   11.216   25.227   8.6482   25.176   10.485   25.335   15.295   57.758   13.618   57.044   17.826 0.7141075 22.43241 
1 1 1   18   18   25 o   50.550   11.373   19.091   8.4155   18.955   10.199   19.379   14.896   49.994   14.321   51.107   17.673 -1.112934 22.74677 
1 1 1   18   18   26 o   60.428   10.941   29.606   8.7622   32.540   10.553   23.093   15.723   66.271   12.200   54.585   18.166 11.68564 21.88285 
1 1 1   18   18   27 o   52.239   11.263   20.450   8.2744   19.263   10.002   23.025   14.729   50.212   14.113   54.267   17.557 -4.055397 22.52605 
1 1 1   18   18   28 o   49.637   10.685   19.703   8.0134   23.400   9.7763   12.135   13.989   55.450   13.200   43.824   16.806 11.62611 21.37047 
1 1 1   18   18   29 o   92.225   8.4710   59.111   10.207   52.104   12.586   72.573   17.445   85.138   10.909   99.313   12.962 -14.17448 16.94196 
1 1 1   18   18   30 o   35.662   10.405   4.9542   7.6367   4.5995   9.1606   5.7626   13.827   32.810   13.277   38.513   16.024 -5.702404 20.81023 
1 1 1   18   18   31 f   40.672   10.806   10.916   7.8066   11.995   9.3889   8.4978   14.052   40.772   14.034   40.573   16.435 0.1985016 21.61220 
1 1 1   18   18   32 o   48.169   17.552   17.408   14.868   0.0000   0.0000   17.408   14.868  ?   ?    48.169   17.552      ?      ? 
1 1 1   18   19    0 o   33.201   9.1212   5.2019   5.9730   7.5880   7.7982   1.8150   9.2908   35.229   12.731   31.173   13.066 4.056030 18.24246 
1 1 1   18   19    1 o  109.026   5.6588   82.437   8.2764   84.877   11.054   79.324   12.485  111.031   7.3468  107.022   8.6089 4.009430 11.31757 
1 1 1   18   19    2 o   76.693   6.9428   41.564   7.0458   44.015   9.2093   38.104   10.942   79.724   8.5242   73.661   10.961 6.062958 13.88570 
1 1 1   18   19    3 o   63.230   7.9754   28.884   6.4900   29.956   8.3615   27.258   10.293   65.603   9.4053   60.857   12.883 4.746319 15.95076 
1 1 1   18   19    4 o   71.079   7.5591   37.334   6.7360   42.228   8.7161   30.076   10.614   78.118   8.2336   64.040   12.679 14.07767 15.11812 
1 1 1   18   19    5 o   70.480   7.6828   32.785   6.8134   21.193   8.5405   53.078   11.300   53.719   12.031   87.241   9.5581 -33.52207 15.36564 
1 1 1   18   19    6 f   42.304   9.5731   12.364   6.0179   11.199   7.5182   14.441   10.040   39.709   12.512   44.900   14.492 -5.191441 19.14629 
1 1 1   18   19    7 o   78.966   6.8505   45.004   7.0085   49.873   9.0320   37.635   11.111   84.925   7.8481   73.006   11.230 11.91872 13.70091 
1 1 1   18   19    8 o   66.852   9.8860   38.962   6.5321   41.923   7.1161   23.106   16.466   78.058   6.7273   55.646   18.592 22.41209 19.77200 
1 1 1   18   19    9 o   48.533   10.198   17.087   5.8771   17.463   6.3513   14.848   15.500   49.125   9.8831   47.941   17.843 1.183746 20.39698 
1 1 1   18   19   10 o  115.712   7.0924   96.391   8.2206   97.676   9.0367   90.228   19.795  119.398   5.5851  112.026   13.039 7.371613 14.18474 
1 1 1   18   19   11 o   72.287   9.7832   48.233   6.6503   52.799   7.2679   24.738   16.486   87.672   6.1174   56.903   18.586 30.76898 19.56642 
1 1 1   18   19   12 o   35.631   9.1573   8.4855   5.2270   10.579   5.6080  -5.3680   14.426   38.112   10.516   33.149   14.995 4.963627 18.31464 
1 1 1   18   19   13 o   49.598   8.9107   22.550   6.3232   27.698   6.9826  -0.9102   14.906   63.120   8.1634   36.075   15.842 27.04436 17.82134 
1 1 1   18   19   14 o   33.079   8.8314   6.3691   5.5344   9.9521   5.9937 -14.3534   14.415   37.100   11.076   29.057   13.758 8.042774 17.66282 
1 1 1   18   19   15 o   57.366   10.731   20.615   8.1047   13.073   9.5393   40.187   15.367   42.687   14.147   72.046   16.140 -29.35897 21.46268 
1 1 1   18   19   16 o   64.963   10.662   31.080   8.5532   29.152   10.137   35.846   15.935   62.644   12.380   67.282   17.361 -4.638584 21.32335 
1 1 1   18   19   17 o   50.330   10.620   20.582   7.8491   24.112   9.1268   10.557   15.382   56.857   12.210   43.803   17.381 13.05389 21.24080 
1 1 1   18   19   18 o   48.951   11.117   15.818   7.4862   12.962   8.6255   24.537   15.072   42.061   13.418   55.841   17.728 -13.77980 22.23350 
1 1 1   18   19   19 o   43.252   10.316   10.697   5.6446   8.9601   6.1551   19.882   14.156   35.446   11.337   51.059   17.238 -15.61268 20.63221 
1 1 1   18   19   20 o   59.477   9.8604   28.633   6.4993   29.994   7.1670   22.331   15.420   65.493   8.0753   53.461   17.992 12.03182 19.72082 
1 1 1   18   19   21 o   45.099   10.637   11.737   5.8630   9.9100   6.3488   22.324   15.283   36.906   11.477   53.293   17.912 -16.38669 21.27306 
1 1 1   18   19   22 o   71.302   9.1242   35.448   6.7038   33.941   7.3921   42.429   15.910   69.657   7.8310   72.946   16.483 -3.289162 18.24847 
1 1 1   18   19   23 f   84.714   9.2602   58.406   7.6739   61.474   8.5698   45.993   17.239   94.096   6.7207   75.331   17.258 18.76520 18.52036 
1 1 1   18   19   24 o   61.238   9.9237   30.819   6.6180   32.207   7.2916   24.333   15.765   67.746   7.9424   54.730   18.189 13.01609 19.84744 
1 1 1   18   19   25 f   29.197   8.5095   3.2724   5.2393   6.4205   5.6716 -15.0483   13.682   31.052   10.895   27.342   13.074 3.710222 17.01906 
1 1 1   18   20    0 o   49.473   10.037   18.393   7.2031   23.028   10.339   14.022   10.041   55.021   13.871   43.926   14.512 11.09456 20.07487 
1 1 1   18   20    1 f  122.074   8.4328  104.131   13.950   0.0000   0.0000  104.131   13.950  ?   ?   122.074   8.4328      ?      ? 
1 1 1   18   20    2 o  137.245   8.1051  131.368   15.074   0.0000   0.0000  131.368   15.074  ?   ?   137.245   8.1051      ?      ? 
1 1 1   18   20    3 o   63.871   13.007   30.629   10.876   0.0000   0.0000   30.629   10.876  ?   ?    63.871   13.007      ?      ? 
1 1 1   18   20    4 o   82.687   7.4866   48.874   8.2712   39.305   11.528   59.029   11.875   73.947   11.504   91.426   9.5845 -17.47948 14.97315 
1 1 1   18   20    5 o   76.232   7.6440   41.402   7.8743   37.333   10.849   45.933   11.448   72.181   11.091   80.283   10.522 -8.102394 15.28806 
1 1 1   18   20    6 o  105.170   6.6324   78.041   9.4498   80.073   13.558   76.122   13.178  106.494   9.3947  103.847   9.3646 2.647064 13.26483 
1 1 1   18   20    7 o   54.792   11.637   21.150   8.6967   16.971   10.304   31.501   16.216   47.276   14.608   62.307   18.119 -15.03136 23.27412 
1 1 1   18   20    8 o   74.696   8.7504   31.998   7.2749   26.445   8.0028   58.423   17.458   61.075   9.6694   88.318   14.587 -27.24269 17.50073 
1 1 1   18   20    9 o   45.475   10.292   15.668   6.3939   16.615   7.0594   11.343   15.084   47.167   11.210   43.784   17.263 3.383350 20.58311 
1 1 1   18   20   10 o   43.896   9.9622   14.994   6.2099   16.637   6.8491   7.4044   14.721   47.255   10.915   40.536   16.668 6.719456 19.92450 
1 1 1   18   20   11 o   66.033   9.8862   41.025   7.3877   46.898   8.3021   18.684   16.192   81.993   7.4719   50.074   18.306 31.91932 19.77245 
1 1 1   18   20   12 o   78.845   9.6269   52.996   7.8410   57.893   8.9236   36.408   16.424   91.156   7.2239   66.534   17.847 24.62237 19.25372 
1 1 1   18   20   13 o   33.330   9.7747   3.7324   5.6738   3.0906   6.2180   6.9254   13.869   27.378   10.988   39.283   16.169 -11.90566 19.54943 
1 1 1   18   20   14 o   33.880   9.5992   5.9247   5.6183   6.6905   6.1522   2.0780   13.788   31.898   11.332   35.861   15.497 -3.963305 19.19839 
1 1 1   18   20   15 o   55.280   10.060   23.058   6.4689   22.984   7.1505   23.393   15.181   56.837   9.2837   53.724   17.849 3.113598 20.11909 
1 1 1   18   20   16 f   49.868   10.422   18.246   6.2601   17.790   6.8589   20.522   15.319   48.784   10.672   50.951   17.905 -2.167866 20.84388 
1 1 1   18   20   17 o   50.611   10.302   19.036   6.8257   19.036   6.8257   0.0000   0.0000   50.611   10.302  ?   ?       ?      ? 
1 1 1   18   20   18 o   76.113   7.5340   40.638   7.7707   40.638   7.7707   0.0000   0.0000   76.113   7.5340  ?   ?       ?      ? 
1 1 1   18   20   19 o   33.146   11.357   7.6604   6.1458   7.6604   6.1458   0.0000   0.0000   33.146   11.357  ?   ?       ?      ? 
1 1 1   18   20   20 o   45.633   10.679   15.690   6.4864   15.690   6.4864   0.0000   0.0000   45.633   10.679  ?   ?       ?      ? 
1 1 1   18   21    0 o   46.224   10.018   16.407   7.1991   22.338   10.020   10.081   10.350   53.442   13.755   39.007   14.568 14.43525 20.03550 
1 1 1   18   21    1 o   47.319   8.7042   15.678   7.0411   32.001   9.9451  -0.7281   9.9703   65.293   11.668   29.344   12.919 35.94843 17.40833 
1 1 1   18   21    2 o   43.379   9.9061   13.945   6.9304   19.619   9.8117   8.2964   9.7905   50.007   13.951   36.750   14.068 13.25741 19.81211 
1 1 1   18   21    3 o   45.668   10.112   15.859   7.1138   11.340   9.8242   20.840   10.314   39.971   14.308   51.365   14.294 -11.39375 20.22462 
1 1 1   18   21    4 o   72.147   10.081   41.533   9.0893   44.171   11.215   36.483   15.517   78.019   10.607   66.274   17.147 11.74477 20.16252 
1 1 1   18   21    5 o   62.960   10.592   29.669   8.5360   24.933   10.421   39.328   14.881   56.349   13.765   69.570   16.103 -13.22076 21.18410 
1 1 1   18   21    6 o   76.661   9.4490   40.038   9.1397   28.238   11.067   65.343   16.208   59.935   13.897   93.388   12.807 -33.45230 18.89801 
1 1 1   18   21    7 o   40.461   13.920   12.089   9.2362   12.089   9.2362   0.0000   0.0000   40.461   13.920  ?   ?       ?      ? 
1 1 1   18   21    8 o   49.052   14.629   19.140   10.459   19.140   10.459   0.0000   0.0000   49.052   14.629  ?   ?       ?      ? 
1 1 1   18   21    9 o   76.994   11.538   43.746   12.038   43.746   12.038   0.0000   0.0000   76.994   11.538  ?   ?       ?      ? 
1 1 1   18   21   10 o   35.744   14.007   7.4202   9.8756   7.4202   9.8756   0.0000   0.0000   35.744   14.007  ?   ?       ?      ? 
1 1 1   18   21   11 o   57.263   9.3414   23.551   7.2489   23.551   7.2489   0.0000   0.0000   57.263   9.3414  ?   ?       ?      ? 
1 1 1   18   21   12 f   24.251   10.376   0.5905   6.0667   0.5905   6.0667   0.0000   0.0000   24.251   10.376  ?   ?       ?      ? 
1 1 1   18   21   13 o   60.870   9.1415   26.589   7.5406   26.589   7.5406   0.0000   0.0000   60.870   9.1415  ?   ?       ?      ? 
1 1 1   18   22    0 o   34.099   10.111   4.3926   7.5576   3.5522   9.3605   5.9663   12.809   31.475   13.148   36.723   15.363 -5.248154 20.22110 
1 1 1   18   22    1 o   56.420   11.033   26.166   8.4996   25.355   10.631   27.602   14.151   56.113   14.020   56.727   17.038 -0.6141510 22.06519 
1 1 1   18   22    2 o   68.239   10.135   38.011   8.9875   41.296   11.484   32.820   14.437   74.459   11.382   62.018   16.774 12.44040 20.27073 
1 1 1   18   22    3 o   47.579   14.570   18.341   10.277   18.341   10.277   0.0000   0.0000   47.579   14.570  ?   ?       ?      ? 
1 1 1   18   22    4 o   29.645   12.668   1.8979   9.0210   1.8979   9.0210   0.0000   0.0000   29.645   12.668  ?   ?       ?      ? 
1 1 1   18   22    5 o   34.882   13.499   7.5578   9.0843   7.5578   9.0843   0.0000   0.0000   34.882   13.499  ?   ?       ?      ? 
1 1 1   18   22    6 o   38.712   14.262   10.764   9.8557   10.764   9.8557   0.0000   0.0000   38.712   14.262  ?   ?       ?      ? 
1 1 1   18   22    7 o   33.860   13.498   6.3756   9.3161   6.3756   9.3161   0.0000   0.0000   33.860   13.498  ?   ?       ?      ? 
1 1 1   18   23    0 o   25.497   8.5917 -10.4170   7.9649 -12.2820   10.289  -7.6280   12.582   23.014   11.090   27.981   13.125 -4.967005 17.18341 
1 1 1   19    0    0 o  660.008   11.148  2955.72   99.647  2955.72   99.647   0.0000   0.0000  660.008   11.148  660.008   11.148 -0.000000 0.000000 
1 1 1   19    0    1 o  1169.30   18.504  9285.42  293.043  9285.42  293.043   0.0000   0.0000  1169.30   18.504  1169.30   18.504 -0.000000 0.000000 
1 1 1   19    0    2 o  1008.48   16.152  6904.66  220.612  6904.66  220.612   0.0000   0.0000  1008.48   16.152  1008.48   16.152 -0.000000 0.000000 
1 1 1   19    0    3 o  388.330   7.6141  1023.23   40.034  1023.23   40.034   0.0000   0.0000  388.330   7.6141  388.330   7.6141 -0.000000 0.000000 
1 1 1   19    0    7 o  553.238   9.7252  2076.89   72.759  2171.92  105.134  1989.53  100.797  565.392   13.740  541.085   13.767 -0.000000 0.000000 
1 1 1   19    0    8 o  549.091   9.6587  2048.10   71.756  2018.67  100.310  2078.95  102.689  545.051   13.600  553.131   13.719 -0.000000 0.000000 
1 1 1   19    0    9 o  1017.28   16.316  7020.33  224.272  7446.06  329.237  6651.75  306.336  1045.97   23.254  988.588   22.894 -0.000000 0.000000 
1 1 1   19    0   10 o  933.482   15.075  5921.17  190.329  5730.33  263.063  6130.81  275.716  917.720   21.178  949.244   21.459 -0.000000 0.000000 
1 1 1   19    0   11 o  704.420   11.782  3370.62  112.273  3287.00  155.869  3460.80  161.856  695.345   16.563  713.494   16.761 -0.000000 0.000000 
1 1 1   19    0   12 o  715.280   11.935  3478.08  115.533  3531.44  164.380  3426.00  162.413  720.714   16.852  709.846   16.906 -0.000000 0.000000 
1 1 1   19    0   13 o  576.736   10.031  2255.17   78.185  2154.06  107.200  2370.08  114.281  562.948   14.072  590.523   14.300 -0.000000 0.000000 
1 1 1   19    0   14 o  521.916   9.2931  1851.40   65.630  1865.22   92.660  1837.48   92.970  523.883   13.070  519.948   13.214 -0.000000 0.000000 
1 1 1   19    0   15 o  441.350   8.2723  1323.38   49.382  1305.47   68.829  1342.38   70.891  438.277   11.607  444.422   11.790 -0.000000 0.000000 
1 1 1   19    0   16 o  728.275   12.120  3599.69  119.334  3788.08  173.566  3430.80  164.338  746.331   17.182  710.219   17.097 -0.000000 0.000000 
1 1 1   19    0   17 o  666.502   11.254  3008.45  101.289  2837.07  137.727  3210.33  149.482  645.902   15.756  687.102   16.074 -0.000000 0.000000 
1 1 1   19    0   18 o  301.716   6.7167  618.546   27.350  671.557   39.298  568.748   38.088  314.308   9.2446  289.123   9.7465 -0.000000 0.000000 
1 1 1   19    0   19 o  487.285   8.8413  1610.92   58.228  1547.51   80.039  1682.21   84.868  477.111   12.398  497.458   12.608 -0.000000 0.000000 
1 1 1   19    0   21 o  261.858   6.3422  464.065   22.382  432.129   30.304  502.393   33.199  251.974   8.9001  271.742   9.0380 -0.000000 0.000000 
1 1 1   19    0   22 o  451.214   8.4014  1379.61   51.194  1497.38   74.792  1275.79   70.222  469.321   11.777  433.107   11.985 -0.000000 0.000000 
1 1 1   19    0   24 o  370.128   7.4216  931.902   37.146  943.074   52.108  920.357   52.968  372.409   10.343  367.847   10.646 -0.000000 0.000000 
1 1 1   19    0   25 o  444.087   11.870  1341.51   71.318   0.0000   0.0000  1341.51   71.318  444.087   11.870  444.087   11.870 -0.000000 0.000000 
1 1 1   19    0   26 o  634.195   15.385  2738.83  132.044   0.0000   0.0000  2738.83  132.044  634.195   15.385  634.195   15.385 -0.000000 0.000000 
1 1 1   19    0   27 o  617.276   15.049  2594.89  125.715   0.0000   0.0000  2594.89  125.715  617.276   15.049  617.276   15.049 -0.000000 0.000000 
1 1 1   19    0   28 o  331.664   7.0321  741.977   31.400  676.771   42.087  823.834   47.156  315.339   9.8708  347.988   10.019 -0.000000 0.000000 
1 1 1   19    0   29 o   94.802   6.4605   62.106   8.0473   58.887   10.573   66.537   12.406   91.967   8.6605   97.636   9.5888 -0.000000 0.000000 
1 1 1   19    0   30 o  244.111   6.2349  401.990   20.463  363.458   27.388  450.687   30.789  230.950   8.7798  257.271   8.8551 -0.000000 0.000000 
1 1 1   19    0   31 o  208.659   6.0091  295.763   16.883  282.513   22.886  311.581   25.005  203.552   8.3287  213.766   8.6644 -0.000000 0.000000 
1 1 1   19    0   32 o  394.763   7.7337  1060.93   41.291  1064.53   57.832  1057.18   58.972  395.470   10.810  394.056   11.063 -0.000000 0.000000 
1 1 1   19    0   33 o  341.704   7.1796  795.187   33.152  834.984   47.038  755.904   46.733  350.261   9.9280  333.148   10.374 -0.000000 0.000000 
1 1 1   19    0   34 o  363.820   10.310  901.139   50.738  901.139   50.738   0.0000   0.0000  363.820   10.310  363.820   10.310 -0.000000 0.000000 
1 1 1   19    0   35 o  178.848   8.0955  218.391   19.529  218.391   19.529   0.0000   0.0000  178.848   8.0955  178.848   8.0955 -0.000000 0.000000 
1 1 1   19    0   36 o  563.417   9.9010  2164.58   75.475  2223.05  107.736  2108.24  105.766  570.915   13.944  555.919   14.060 -0.000000 0.000000 
1 1 1   19    0   37 o  303.200   6.8158  626.482   27.910  662.904   39.646  590.698   39.299  312.007   9.3961  294.394   9.8758 -0.000000 0.000000 
1 1 1   19    0   38 o  253.428   6.3725  438.036   21.801  444.322   30.312  431.300   31.379  255.358   8.7832  251.499   9.2353 -0.000000 0.000000 
1 1 1   19    0   39 o  221.141   6.1614  333.077   18.372  324.402   25.178  342.954   26.866  218.080   8.5496  224.202   8.8743 -0.000000 0.000000 
1 1 1   19    0   40 o  332.820   7.1263  755.104   32.064  765.835   44.991  744.028   45.708  335.259   9.9225  330.380   10.231 -0.000000 0.000000 
1 1 1   19    0   41 o  280.607   6.6578  537.035   25.240  546.596   35.363  527.107   36.036  283.194   9.2369  278.019   9.5908 -0.000000 0.000000 
1 1 1   19    0   42 o  368.004   7.5253  923.455   37.453  934.857   52.784  911.894   53.150  370.320   10.537  365.687   10.746 -0.000000 0.000000 
1 1 1   19    0   43 o  208.257   6.2325  296.359   17.505  300.289   24.404  292.195   25.124  209.723   8.6198  206.790   9.0042 -0.000000 0.000000 
1 1 1   19    0   44 o  331.577   7.1802  749.789   32.186  749.098   45.010  750.512   46.044  331.444   10.042  331.710   10.265 -0.000000 0.000000 
1 1 1   19    0   45 o  149.660   6.3801  154.876   12.726  173.627   17.815  135.337   18.185  159.227   8.3078  140.093   9.6851 -0.000000 0.000000 
1 1 1   19    0   46 o  490.154   12.865  1641.78   85.318   0.0000   0.0000  1641.78   85.318  490.154   12.865  490.154   12.865 -0.000000 0.000000 
1 1 1   19    0   47 o  597.807   14.891  2447.86  120.461   0.0000   0.0000  2447.86  120.461  597.807   14.891  597.807   14.891 -0.000000 0.000000 
1 1 1   19    0   48 o  465.888   12.501  1483.60   78.795   0.0000   0.0000  1483.60   78.795  465.888   12.501  465.888   12.501 -0.000000 0.000000 
1 1 1   19    0   50 o  107.176   7.2058   80.130   10.211   78.552   13.815   82.032   15.161  106.108   9.7995  108.243   10.567 -0.000000 0.000000 
1 1 1   19    0   51 o  252.863   6.5870  436.543   22.483  429.605   31.072  444.166   32.573  250.780   9.1709  254.947   9.4577 -0.000000 0.000000 
1 1 1   19    0   52 o  146.428   6.5671  148.478   12.828  157.794   17.596  137.910   18.741  151.578   8.6303  141.277   9.9007 -0.000000 0.000000 
1 1 1   19    0   53 o  212.682   8.8466  309.444   25.397  309.444   25.397   0.0000   0.0000  212.682   8.8466  212.682   8.8466 -0.000000 0.000000 
1 1 1   19    0   54 o  143.094   6.7784  143.484   12.768  167.674   17.723  117.383   18.410  156.292   8.4238  129.895   10.622 -0.000000 0.000000 
1 1 1   19    0   55 o  193.448   6.4374  257.168   16.754  271.901   23.476  241.875   23.918  199.236   8.7333  187.660   9.4600 -0.000000 0.000000 
1 1 1   19    0   58 o  212.039   6.5119  308.756   18.613  309.495   25.781  307.951   26.899  212.370   8.9951  211.708   9.4185 -0.000000 0.000000 
1 1 1   19    0   59 o  130.157   7.0197  119.715   11.938  143.650   16.710   94.763   17.061  144.303   8.6156  116.011   11.085 -0.000000 0.000000 
1 1 1   19    0   60 o  113.182   7.1541   89.531   10.727   86.681   14.443   93.037   16.021  111.271   9.7505  115.093   10.472 -0.000000 0.000000 
1 1 1   19    0   61 o   98.155   7.7508   68.995   9.8664   72.031   13.300   65.281   14.713  101.078   9.9298   95.233   11.904 -0.000000 0.000000 
1 1 1   19    0   62 o  120.920   7.0614  103.007   11.297  108.715   15.382   96.323   16.646  124.949   9.1992  116.891   10.716 -0.000000 0.000000 
1 1 1   19    0   63 o  131.271   7.1705  120.643   12.572  120.435   17.469  120.866   18.108  131.228   9.9551  131.313   10.323 -0.000000 0.000000 
1 1 1   19    0   64 f  128.379   10.476  115.934   17.947   0.0000   0.0000  115.934   17.947  128.379   10.476  128.379   10.476 -0.000000 0.000000 
1 1 1   19    0   65 o   47.730   9.6232   21.735   7.8952   38.503   10.438  -0.6901   12.070   71.985   11.604   23.474   15.355 -0.000000 0.000000 
1 1 1   19    0   66 o  103.244   7.8702   77.151   10.504   81.606   14.053   71.512   15.812  107.373   9.8484   99.116   12.279 -0.000000 0.000000 
1 1 1   19    0   67 o  115.157   7.3844   92.850   11.210   80.310   14.880  109.311   17.048  106.015   10.601  124.299   10.283 -0.000000 0.000000 
1 1 1   19    0   68 o  127.349   7.3215  116.460   12.238  129.409   16.677  101.353   18.014  135.875   9.1525  118.823   11.430 -0.000000 0.000000 
1 1 1   19    0   69 o   15.366   10.773  -8.3552   8.4947  -8.3552   8.4947   0.0000   0.0000   15.366   10.773   15.366   10.773 -0.000000 0.000000 
1 1 1   19    0   70 o   53.722   12.880   26.516   8.3119   24.662   10.876   29.119   12.888   51.717   17.376   55.727   19.018 -0.000000 0.000000 
1 1 1   19    0   71 o   43.856   11.907   19.892   8.1810   28.816   10.863   8.1993   12.434   58.026   15.976   29.687   17.659 -0.000000 0.000000 
1 1 1   19    0   72 o   47.313   12.041   22.796   8.1955   31.078   10.986   12.406   12.306   61.034   15.358   33.593   18.548 -0.000000 0.000000 
1 1 1   19    0   73 o   20.158   9.5595  -2.6574   7.3027  -1.4953   9.6903  -4.1848   11.110   20.158   13.377   20.157   13.659 -0.000000 0.000000 
1 1 1   19    0   74 o   84.200   9.7863   55.202   10.026   61.028   13.777   48.644   14.618   90.596   11.771   77.804   15.638 -0.000000 0.000000 
1 1 1   19    0   75 o  139.247   7.5895  140.895   13.948  154.005   19.062  125.786   20.464  147.174   9.6532  131.320   11.714 -0.000000 0.000000 
1 1 1   19    0   76 o   26.585   11.555   5.7210   8.0281   5.4618   10.842   6.0355   11.944   26.016   15.965   27.155   16.708 -0.000000 0.000000 
1 1 1   19    0   77 o   24.440   10.732   2.2699   7.8081   9.3890   10.453  -6.7172   11.744   29.446   16.769   19.434   13.398 -0.000000 0.000000 
1 1 1   19    0   78 o   40.188   19.530   18.917   12.472   0.0000   0.0000   18.917   12.472   40.188   19.530   40.188   19.530 -0.000000 0.000000 
1 1 1   19    0   79 o   66.396   18.461   40.081   14.369   0.0000   0.0000   40.081   14.369   66.396   18.461   66.396   18.461 -0.000000 0.000000 
1 1 1   19    0   80 o   25.350   11.346   4.4368   8.4176   6.1518   11.814   2.6686   11.996   26.518   16.451   24.182   15.630 -0.000000 0.000000 
1 1 1   19    0   81 o   15.582   7.8918 -14.7433   7.7479 -15.5308   10.852 -13.9245   11.066   15.249   10.950   15.915   11.367 -0.000000 0.000000 
1 1 1   19    0   82 o   22.356   10.563  -1.1874   8.9903   3.7333   12.284  -6.8637   13.193   24.609   15.873   20.102   13.941 -0.000000 0.000000 
1 1 1   19    0   83 o   35.502   19.770   17.365   14.116   17.365   14.116   0.0000   0.0000   35.502   19.770   35.502   19.770 -0.000000 0.000000 
1 1 1   19    1    0 f  816.757   11.562  4515.78  120.443  4486.46  147.049  4575.54  209.945  813.070   13.346  820.444   18.883 -7.374146 23.12334 
1 1 1   19    1    1 o  985.708   13.692  6611.84  172.628  6623.97  211.804  6587.85  297.936  987.613   15.826  983.802   22.348 3.811462 27.38381 
1 1 1   19    1    2 o  412.210   6.8684  1165.82   36.462  1197.50   45.361  1107.97   61.296  420.276   7.9646  404.143   11.192 16.13217 13.73676 
1 1 1   19    1    3 o  620.429   9.1595  2605.68   72.580  2592.57   88.757  2632.14  126.095  618.242   10.594  622.616   14.945 -4.373352 18.31906 
1 1 1   19    1    4 o  636.724   9.3895  2778.98   77.015  2842.72   95.730  2662.04  129.667  647.352   10.913  626.095   15.283 21.25629 18.77897 
1 1 1   19    1    5 o  373.066   6.4463  931.632   30.589  978.820   54.081  909.434   37.092  379.872   10.506  366.259   7.4732 13.61240 12.89266 
1 1 1   19    1    6 o  457.556   7.3227  1417.16   42.770  1428.82   74.352  1411.40   52.287  458.875   11.957  456.237   8.4571 2.638672 14.64534 
1 1 1   19    1    7 o  470.001   7.4666  1498.90   44.840  1497.34   77.622  1499.68   54.932  469.725   12.194  470.276   8.6197 -0.5510254 14.93319 
1 1 1   19    1    8 o  668.462   9.7577  3041.88   83.472  3009.59  143.681  3058.33  102.553  665.548   15.931  671.377   11.272 -5.829041 19.51532 
1 1 1   19    1    9 o  843.907   11.910  4843.19  128.427  4833.88  222.226  4847.86  157.367  842.849   19.456  844.964   13.743 -2.114990 23.82084 
1 1 1   19    1   10 o  368.816   6.4525  933.758   30.552  886.882   51.691  958.926   37.876  361.556   10.550  376.077   7.4320 -14.52109 12.90507 
1 1 1   19    1   11 o  610.490   9.0417  2515.94   70.256  2571.96  123.242  2488.97   85.512  615.294   14.781  605.687   10.418 9.606873 18.08334 
1 1 1   19    1   12 o  823.043   11.645  4603.82  122.402  4610.70  212.171  4600.39  149.854  823.035   19.023  823.052   13.436 -0.1696777E-01 23.28948 
1 1 1   19    1   13 o  396.158   5.4586  1063.44   29.294  1095.26   42.117  1033.63   40.771  401.893   7.7333  390.424   7.7060 11.46921 10.91727 
1 1 1   19    1   14 o  486.954   6.2326  1607.63   41.119  1645.18   58.926  1572.00   57.405  492.492   8.8293  481.416   8.7992 11.07617 12.46530 
1 1 1   19    1   15 o  412.661   5.5866  1154.74   31.239  1141.77   43.959  1167.97   44.402  410.321   7.9058  415.001   7.8954 -4.680206 11.17313 
1 1 1   19    1   16 o  568.177   6.9780  2190.41   53.727  2179.17   75.792  2201.76   76.173  566.712   9.8692  569.642   9.8677 -2.930298 13.95608 
1 1 1   19    1   17 o  318.656   4.8345  688.258   20.872  669.457   29.226  707.827   29.818  314.216   6.8638  323.097   6.8102 -8.880859 9.669043 
1 1 1   19    1   18 o  488.198   6.2416  1616.72   41.290  1597.69   57.989  1636.29   58.806  485.285   8.8179  491.111   8.8360 -5.826141 12.48324 
1 1 1   19    1   19 o  461.128   7.3388  1420.26   42.819  1507.77   76.645  1380.55   51.627  471.143   12.005  451.112   8.4453 20.03201 14.67759 
1 1 1   19    1   20 o  173.392   5.0078  200.682   11.018  212.983   19.615  195.012   13.317  177.187   8.1692  169.598   5.7944 7.588638 10.01558 
1 1 1   19    1   21 o  218.509   5.2123  324.046   14.481  323.313   25.306  324.403   17.658  218.285   8.5548  218.734   5.9571 -0.4483795 10.42453 
1 1 1   19    1   22 o  393.691   7.6727  1051.48   40.934  1051.48   40.934   0.0000   0.0000  393.691   7.6727  ?   ?       ?      ? 
1 1 1   19    1   23 o  515.309   6.4905  1802.23   45.318  1774.21   63.498  1831.31   64.699  511.229   9.1656  519.388   9.1923 -8.159119 12.98098 
1 1 1   19    1   24 o  589.403   7.1959  2359.51   57.473  2336.60   80.798  2382.97   81.768  586.509   10.166  592.297   10.187 -5.788696 14.39188 
1 1 1   19    1   25 o  478.075   6.1573  1551.66   39.890  1551.76   56.381  1551.56   56.446  478.091   8.7023  478.058   8.7130 0.3234863E-01 12.31454 
1 1 1   19    1   26 o  459.539   5.9875  1433.64   37.285  1423.99   52.499  1443.47   52.962  457.979   8.4591  461.099   8.4760 -3.119843 11.97492 
1 1 1   19    1   27 o  357.811   5.1472  868.678   24.955  855.831   34.997  881.967   35.595  355.121   7.2723  360.502   7.2861 -5.380615 10.29435 
1 1 1   19    1   28 o  238.846   4.3384  387.016   14.041  392.154   19.855  381.875   19.860  240.434   6.0937  237.258   6.1769 3.175735 8.676806 
1 1 1   19    1   29 o  321.416   5.8499  692.812   24.064  675.567   29.353  728.157   42.023  315.509   6.8653  327.323   9.4739 -11.81442 11.69987 
1 1 1   19    1   30 o  664.027   11.209  3001.15  100.867  3001.15  100.867   0.0000   0.0000  664.027   11.209  ?   ?       ?      ? 
1 1 1   19    1   31 o  586.409   8.8629  2319.89   65.648  2278.53   79.230  2410.48  117.256  578.769   10.102  594.048   14.566 -15.27869 17.72585 
1 1 1   19    1   33 o  199.023   4.1930  268.730   11.307  265.321   15.837  272.276   16.149  197.736   5.9102  200.309   5.9493 -2.572891 8.386011 
1 1 1   19    1   34 o  357.495   5.1637  867.504   25.008  844.285   34.869  892.098   35.886  352.573   7.2980  362.417   7.3070 -9.844879 10.32731 
1 1 1   19    1   35 o  505.223   6.4390  1734.41   44.061  1800.32   63.555  1673.43   61.137  514.451   9.1165  495.994   9.0959 18.45697 12.87808 
1 1 1   19    1   36 o  376.990   5.3428  965.046   27.285  934.519   38.033  997.420   39.166  370.849   7.5680  383.130   7.5437 -12.28098 10.68558 
1 1 1   19    1   37 o   86.254   5.5452   50.417   6.2203   51.124   10.408   50.024   7.7586   86.685   8.8598   85.824   6.6710 0.8612518 11.09044 
1 1 1   19    1   38 o  295.408   5.7179  584.585   21.612  620.048   37.834  567.408   26.332  301.795   9.2509  289.021   6.7230 12.77374 11.43585 
1 1 1   19    1   39 o  311.546   4.8506  659.238   20.474  679.046   29.221  640.136   28.696  316.146   6.8206  306.945   6.8987 9.200714 9.701214 
1 1 1   19    1   40 o  346.012   5.1197  813.194   23.996  844.102   34.447  784.056   33.447  352.399   7.2133  339.625   7.2672 12.77332 10.23933 
1 1 1   19    1   41 o  215.286   4.3456  314.740   12.677  308.886   17.801  320.763   18.056  213.254   6.1598  217.318   6.1313 -4.063858 8.691141 
1 1 1   19    1   42 o  308.134   4.8601  645.195   20.291  661.817   28.931  629.103   28.466  312.044   6.8416  304.225   6.9048 7.818665 9.720290 
1 1 1   19    1   43 o  300.584   5.9870  619.827   22.952  601.503   39.563  629.123   28.178  296.950   9.8315  304.218   6.8351 -7.267822 11.97401 
1 1 1   19    1   44 o  307.862   6.0188  634.047   23.475  677.946   41.971  614.062   28.319  315.209   9.8258  300.515   6.9539 14.69431 12.03761 
1 1 1   19    1   45 o  253.200   6.5111  437.677   22.316  453.607   31.233  421.063   31.895  257.960   8.9348  248.441   9.4736 9.518875 13.02228 
1 1 1   19    1   46 o  337.844   6.2231  771.539   26.899  797.994   46.813  758.500   32.866  341.803   10.107  333.885   7.2638 7.918243 12.44620 
1 1 1   19    1   47 o  166.456   4.4483  188.275   10.021  175.279   14.010  201.890   14.339  160.564   6.4388  172.349   6.1395 -11.78462 8.896698 
1 1 1   19    1   48 o  155.740   4.4099  164.859   9.3028  171.768   13.256  158.154   13.059  158.961   6.1537  152.519   6.3182 6.442841 8.819742 
1 1 1   19    1   49 o  142.355   5.7940  143.834   10.270  154.190   12.558  122.922   17.845  150.597   6.1536  134.113   9.8191 16.48375 11.58799 
1 1 1   19    1   50 o  115.984   6.5902   91.521   10.358   91.521   10.358   0.0000   0.0000  115.984   6.5902  ?   ?       ?      ? 
1 1 1   19    1   51 o  123.067   4.7189  103.102   7.8653  103.821   10.960  102.339   11.294  123.519   6.5478  122.615   6.7969 0.9049377 9.437804 
1 1 1   19    1   52 o  202.717   5.5167  273.821   14.304  299.605   25.221  261.594   17.367  209.394   8.8882  196.040   6.5375 13.35445 11.03349 
1 1 1   19    1   53 o  269.370   5.7006  476.928   19.629  443.208   23.704  550.501   35.014  255.063   6.8579  283.678   9.1081 -28.61487 11.40127 
1 1 1   19    1   54 o  151.390   4.5704  156.111   9.3762  155.614   13.266  156.606   13.254  151.148   6.4766  151.632   6.4503 -0.4840851 9.140732 
1 1 1   19    1   55 o  210.771   5.5211  304.578   14.951  300.266   25.486  306.840   18.462  209.344   8.9839  212.199   6.4203 -2.854401 11.04221 
1 1 1   19    1   56 o  139.236   5.6887  134.598   10.156  126.440   17.155  138.999   12.601  135.705   9.3284  142.766   6.5134 -7.061340 11.37732 
1 1 1   19    1   58 o  211.668   4.5515  305.879   13.054  299.256   18.353  312.659   18.570  209.341   6.4696  213.995   6.4038 -4.653336 9.102979 
1 1 1   19    1   59 o   63.629   6.5776   27.929   5.6703   27.403   8.0462   28.448   7.9921   63.019   9.4218   64.239   9.1808 -1.219681 13.15516 
1 1 1   19    1   60 o  154.757   4.6190  163.835   9.6836  169.807   13.788  158.021   13.603  157.556   6.4578  151.957   6.6059 5.599625 9.238046 
1 1 1   19    1   61 o  196.413   5.7868  269.881   14.388  254.084   24.914  277.786   17.624  191.414   9.6050  201.413   6.4571 -9.998779 11.57363 
1 1 1   19    1   62 o   74.075   6.1269   37.929   6.1347   41.743   8.8282   34.367   8.5310   77.723   8.3819   70.427   8.9387 7.295166 12.25384 
1 1 1   19    1   63 o   96.718   5.3066   64.502   6.9536   62.723   9.7981   66.308   9.8700   95.356   7.5825   98.080   7.4260 -2.723404 10.61319 
1 1 1   19    1   64 o  136.108   4.7974  127.538   8.8481  128.668   12.498  126.402   12.528  136.725   6.7455  135.491   6.8233 1.233688 9.594771 
1 1 1   19    1   66 f  129.501   6.8967  115.931   12.103  115.931   12.103   0.0000   0.0000  129.501   6.8967  ?   ?       ?      ? 
1 1 1   19    1   67 o   52.201   9.2393   21.743   6.5671   25.126   7.9410   14.422   11.681   59.559   9.8388   44.844   15.642 14.71524 18.47869 
1 1 1   19    1   68 o   98.941   5.3618   68.223   7.1852   65.969   9.9677   70.662   10.367   97.249   7.5635  100.634   7.6020 -3.384392 10.72365 
1 1 1   19    1   69 o   62.538   7.3557   28.429   5.8941   18.984   7.9882   39.716   8.7326   50.053   11.943   75.023   8.5896 -24.96963 14.71141 
1 1 1   19    1   70 o   54.782   7.9150   22.518   5.6767   22.234   7.9511   22.814   8.1074   54.439   11.153   55.126   11.234 -0.6864662 15.83007 
1 1 1   19    1   71 o   50.847   9.4887   18.963   6.3732   25.286   11.036   15.799   7.8066   56.396   14.392   45.298   12.369 11.09788 18.97732 
1 1 1   19    1   72 o   82.398   5.9917   48.113   6.6698   53.638   9.7074   43.172   9.1797   86.972   8.2365   77.824   8.7042 9.147484 11.98348 
1 1 1   19    1   73 o   81.488   6.1186   47.437   6.7557   46.573   9.5528   48.300   9.5551   80.706   8.7346   82.269   8.5707 -1.563019 12.23720 
1 1 1   19    1   74 o   43.852   9.0405   14.908   5.8107   11.197   8.0412   18.963   8.4061   38.581   12.992   49.122   12.575 -10.54087 18.08102 
1 1 1   19    1   75 f   73.420   9.4539   39.145   9.4060   0.0000   0.0000   39.145   9.4060  ?   ?    73.420   9.4539      ?      ? 
1 1 1   19    1   76 o   29.062   9.0091   0.1943   6.2893   3.4072   11.344  -1.2315   7.5570   33.176   14.192   24.947   11.102 8.229513 18.01830 
1 1 1   19    1   77 o   47.918   8.9239   18.490   5.9747   14.396   8.4413   22.600   8.4576   42.313   13.246   53.522   11.962 -11.20900 17.84779 
1 1 1   19    1   78 o   64.954   7.4875   32.057   6.4435   30.146   9.0789   33.995   9.1463   62.337   11.157   67.571   9.9887 -5.233246 14.97509 
1 1 1   19    1   79 o   45.200   9.4148   17.062   6.2031   19.337   8.7578   14.771   8.7873   48.238   13.072   42.163   13.553 6.075371 18.82952 
1 1 1   19    1   80 o   26.903   11.871   0.4116   8.4641   0.4116   8.4641   0.0000   0.0000   26.903   11.871  ?   ?       ?      ? 
1 1 1   19    1   81 f   35.397   13.483   9.6623   8.9664   9.6623   8.9664   0.0000   0.0000   35.397   13.483  ?   ?       ?      ? 
1 1 1   19    1   82 o   43.564   9.3868   16.556   6.4294   23.399   9.1591   9.9078   9.0276   51.884   13.042   35.245   13.504 16.63893 18.77366 
1 1 1   19    1   83 o   29.173   8.3607   0.1352   6.1037   13.433   8.9651 -11.3545   8.3333   38.640   13.685   19.707   9.6087 18.93349 16.72137 
1 1 1   19    2    0 o  449.001   5.9067  1366.58   35.932  1380.66   51.430  1353.15   50.223  451.258   8.4103  446.744   8.2959 4.513855 11.81334 
1 1 1   19    2    1 o  1292.44   14.402 11361.24  252.223 11464.42  359.101 11260.77  354.343  1298.22   20.412  1286.66   20.323 11.55981 28.80378 
1 1 1   19    2    2 o  1384.13   15.381 13039.54  288.492 13110.43  409.730 12969.85  406.270  1387.85   21.786  1380.41   21.718 7.441528 30.76201 
1 1 1   19    2    3 o  617.667   8.6343  2577.73   62.272  2610.64  125.851  2567.06   71.659  620.038   14.978  615.296   8.5941 4.741821 17.26854 
1 1 1   19    2    4 o  952.656   12.529  6174.24  139.993  6157.68  279.889  6179.76  161.669  951.049   21.717  954.262   12.502 -3.213135 25.05846 
1 1 1   19    2    5 o  1265.32   16.338 10891.77  242.133 10940.13  485.713 10875.78  279.315  1265.43   28.324  1265.20   16.291 0.2364502 32.67511 
1 1 1   19    2    6 o  1133.99   14.732  8787.44  196.457  8684.36  390.207  8822.45  227.378  1128.22   25.522  1139.77   14.721 -11.55481 29.46363 
1 1 1   19    2    7 o  895.829   11.874  5490.54  125.308  5380.82  247.787  5528.25  145.251  889.085   20.566  902.572   11.876 -13.48737 23.74856 
1 1 1   19    2    8 o  671.962   9.2675  3038.46   72.425  3117.98  147.701  3013.29   83.101  677.368   16.091  666.555   9.2000 10.81268 18.53507 
1 1 1   19    2    9 o  602.115   10.360  2459.56   84.531   0.0000   0.0000  2459.56   84.531  ?   ?   602.115   10.360      ?      ? 
1 1 1   19    2   10 o  298.367   6.6632  603.517   26.941   0.0000   0.0000  603.517   26.941  ?   ?   298.367   6.6632      ?      ? 
1 1 1   19    2   11 o  181.931   5.2317  232.347   12.042  201.068   20.409  249.054   14.916  172.181   8.7470  191.681   5.7422 -19.50044 10.46340 
1 1 1   19    2   12 o  404.593   6.8018  1126.86   35.396  1057.12   59.445  1165.17   44.058  394.668   11.115  414.517   7.8433 -19.84833 13.60359 
1 1 1   19    2   13 o  440.994   7.1527  1328.23   40.447  1292.41   69.046  1346.94   49.907  436.336   11.677  445.653   8.2639 -9.317383 14.30544 
1 1 1   19    2   14 o  282.832   4.6173  542.342   17.696  534.705   24.990  550.023   25.062  280.834   6.5666  284.830   6.4930 -3.996124 9.234681 
1 1 1   19    2   15 o  526.466   6.6059  1880.09   47.125  1856.78   66.168  1904.08   67.132  523.156   9.3333  529.776   9.3509 -6.620422 13.21172 
1 1 1   19    2   16 o  783.360   9.1031  4165.16   96.594  4054.65  134.268  4283.70  139.067  772.606   12.824  794.114   12.923 -21.50726 18.20614 
1 1 1   19    2   17 o  988.443   11.208  6645.69  150.121  6570.71  210.726  6722.95  213.916  982.791   15.823  994.097   15.879 -11.30609 22.41661 
1 1 1   19    2   18 o  661.148   9.6880  2970.87   81.826  2972.12  141.723  2970.25  100.217  660.901   15.824  661.394   11.181 -0.4925537 19.37595 
1 1 1   19    2   19 o  485.099   12.457  1598.93   81.889  1598.93   81.889   0.0000   0.0000  485.099   12.457  ?   ?       ?      ? 
1 1 1   19    2   20 o  336.608   9.9688  769.184   45.473  769.184   45.473   0.0000   0.0000  336.608   9.9688  ?   ?       ?      ? 
1 1 1   19    2   21 o  541.029   6.7321  1986.86   49.356  1968.13   69.412  2006.01   70.193  538.451   9.5128  543.607   9.5285 -5.155823 13.46422 
1 1 1   19    2   22 o  313.073   4.8024  664.753   20.374  657.857   28.701  671.758   28.927  311.435   6.8005  314.710   6.7828 -3.273956 9.604835 
1 1 1   19    2   23 o  444.461   8.2942  1340.68   49.956  1340.68   49.956   0.0000   0.0000  444.461   8.2942  ?   ?       ?      ? 
1 1 1   19    2   24 o  535.942   8.1606  1964.59   56.321  1991.61   69.814  1914.25   95.311  541.538   9.5133  530.346   13.262 11.19250 16.32111 
1 1 1   19    2   25 o  655.061   9.5473  2913.02   79.915  2895.44   97.768  2948.41  138.719  652.623   11.055  657.499   15.569 -4.876160 19.09455 
1 1 1   19    2   26 f  423.657   8.1009  1218.45   46.508   0.0000   0.0000  1218.45   46.508  ?   ?   423.657   8.1009      ?      ? 
1 1 1   19    2   27 o  277.001   4.5808  520.546   17.195  517.334   24.204  523.819   24.431  276.139   6.4681  277.863   6.4883 -1.724213 9.161574 
1 1 1   19    2   28 o  255.820   4.4557  443.798   15.443  432.428   21.577  455.739   22.112  252.462   6.3067  259.178   6.2958 -6.716095 8.911317 
1 1 1   19    2   29 o  485.490   6.2332  1601.15   41.005  1625.85   58.381  1577.11   57.607  489.185   8.8068  481.795   8.8233 7.389771 12.46641 
1 1 1   19    2   30 o  475.263   8.7022  1534.77   56.046   0.0000   0.0000  1534.77   56.046  ?   ?   475.263   8.7022      ?      ? 
1 1 1   19    2   31 o  401.107   5.5049  1092.68   29.921  1108.56   42.439  1076.99   42.191  404.008   7.7517  398.205   7.8185 5.802704 11.00989 
1 1 1   19    2   32 o  234.594   4.3589  373.319   13.854  366.459   19.324  380.574   19.871  232.379   6.1365  236.809   6.1922 -4.429443 8.717757 
1 1 1   19    2   33 o  429.174   5.7602  1250.28   33.482  1305.64   48.234  1198.79   46.514  438.338   8.1200  420.011   8.1723 18.32614 11.52048 
1 1 1   19    2   34 o  229.792   5.4429  352.589   15.619  343.268   18.633  374.621   28.646  224.888   6.1140  234.697   9.0067 -9.809280 10.88586 
1 1 1   19    2   35 o  263.334   5.6141  462.471   18.532  448.734   22.159  494.438   33.802  257.094   6.3602  269.573   9.2531 -12.47992 11.22816 
1 1 1   19    2   36 o  262.823   4.5298  468.810   16.122  493.979   23.050  444.702   22.559  269.734   6.3059  255.911   6.5049 13.82375 9.059694 
1 1 1   19    2   37 o  480.679   6.2307  1569.93   40.557  1512.32   56.105  1632.99   58.696  471.462   8.7816  489.896   8.8414 -18.43387 12.46144 
1 1 1   19    2   38 o  254.293   4.4914  439.103   15.476  436.445   21.698  441.856   22.079  253.512   6.3159  255.073   6.3874 -1.560089 8.982768 
1 1 1   19    2   39 o  134.520   5.2798  123.208   9.0570  122.442   15.716  123.590   11.082  134.131   8.6463  134.909   6.0619 -0.7785187 10.55959 
1 1 1   19    2   40 o  220.399   5.3913  332.225   15.175  324.564   26.138  336.120   18.637  218.335   8.8342  222.462   6.1823 -4.126877 10.78255 
1 1 1   19    2   41 o  102.999   6.6557   72.414   9.2411   73.515   12.501   71.087   13.722  103.896   8.8789  102.102   9.9174 1.794601 13.31132 
1 1 1   19    2   42 o   57.281   7.8800   25.296   5.7323   14.133   9.0690   32.723   7.3974   45.213   13.654   69.348   7.8715 -24.13548 15.76007 
1 1 1   19    2   43 f   68.835   5.9867   33.063   5.1806   21.349   7.1099   46.321   7.5643   55.122   9.8811   82.549   6.7620 -27.42620 11.97333 
1 1 1   19    2   44 o  296.185   4.8263  595.294   19.348  637.594   28.007  556.679   26.759  306.242   6.7487  286.129   6.9013 20.11316 9.652595 
1 1 1   19    2   45 o  321.120   5.0045  700.207   21.759  667.781   30.073  735.834   31.522  313.330   7.0826  328.910   7.0722 -15.58026 10.00897 
1 1 1   19    2   46 o  175.330   5.2090  207.068   11.778  202.428   14.495  216.086   20.208  172.580   6.1981  178.081   8.3738 -5.501282 10.41809 
1 1 1   19    2   47 o   96.635   6.0448   66.232   7.4559   72.758   9.3982   55.150   12.247  103.431   6.7052   89.840   10.060 13.59107 12.08953 
1 1 1   19    2   48 o  147.767   4.4100  148.191   8.8198  138.254   12.217  159.005   12.745  142.596   6.3225  152.938   6.1497 -10.34196 8.820082 
1 1 1   19    2   49 o  172.879   4.4127  203.283   10.310  223.089   14.734  184.281   14.432  181.155   6.0020  164.603   6.4702 16.55244 8.825380 
1 1 1   19    2   50 o  176.789   4.4199  212.293   10.580  200.452   14.694  225.038   15.245  171.670   6.3164  181.908   6.1843 -10.23796 8.839823 
1 1 1   19    2   51 o   90.037   5.2560   55.452   6.3858   60.403   8.9444   50.304   9.1199   94.180   7.0082   85.894   7.8351 8.286392 10.51205 
1 1 1   19    2   52 o  113.366   6.1524   86.766   8.6920   85.195   10.375   90.465   15.919  111.844   6.8453  114.889   10.225 -3.044655 12.30485 
1 1 1   19    2   53 o  263.000   6.0138  480.142   19.988  494.275   24.434  451.550   34.753  269.371   6.6936  256.629   9.9931 12.74182 12.02770 
1 1 1   19    2   54 f  253.349   4.7112  437.134   16.168  421.091   22.569  454.047   23.173  248.568   6.7002  258.129   6.6248 -9.560364 9.422373 
1 1 1   19    2   55 o  171.499   4.5793  200.423   10.640  206.634   15.179  194.423   14.919  174.117   6.4331  168.880   6.5189 5.236496 9.158648 
1 1 1   19    2   56 o  136.885   6.5331  129.626   12.023  114.504   17.339  143.631   16.687  128.999   9.9188  144.771   8.5055 -15.77184 13.06623 
1 1 1   19    2   57 o  187.367   4.5704  239.551   11.594  253.371   16.545  226.213   16.253  192.702   6.3356  182.031   6.5889 10.67159 9.140707 
1 1 1   19    2   58 o   92.873   7.5580   59.086   9.5121   0.0000   0.0000   59.086   9.5121  ?   ?    92.873   7.5580      ?      ? 
1 1 1   19    2   59 o   70.552   8.3804   36.099   7.0866   33.286   12.787   37.346   8.5137   67.432   14.429   73.671   8.5278 -6.238693 16.76070 
1 1 1   19    2   60 o  157.384   4.6205  169.490   9.8516  163.977   13.828  175.173   14.040  154.772   6.5928  159.997   6.4753 -5.225342 9.240901 
1 1 1   19    2   61 o  154.171   4.6147  162.817   9.6373  156.470   13.527  169.360   13.734  151.099   6.6064  157.243   6.4451 -6.143707 9.229491 
1 1 1   19    2   62 o  112.916   4.9678   87.625   7.6010   89.121   10.810   86.162   10.690  113.874   7.0051  111.958   7.0460 1.916077 9.935669 
1 1 1   19    2   63 o   96.305   5.3312   64.066   6.9498   66.391   9.7341   61.648   9.9257   98.139   7.3193   94.471   7.7532 3.668114 10.66231 
1 1 1   19    2   64 o   81.612   6.6974   46.116   7.1211   44.915   8.8756   48.288   11.930   80.467   8.1394   82.756   10.638 -2.289268 13.39482 
1 1 1   19    2   65 o  112.595   5.0604   87.624   7.7174   91.454   11.000   83.912   10.830  115.048   7.0558  110.141   7.2558 4.907242 10.12077 
1 1 1   19    2   66 o   69.162   6.4717   33.584   6.0641   34.574   8.6737   32.638   8.4814   70.167   9.1220   68.158   9.1827 2.008904 12.94346 
1 1 1   19    2   67 o   94.622   5.3467   62.364   6.8494   59.209   9.6721   65.539   9.7010   92.158   7.7447   97.087   7.3735 -4.928703 10.69341 
1 1 1   19    2   68 o   79.205   8.0003   47.661   7.4624   50.584   8.9900   41.183   13.382   85.047   7.8004   73.364   13.971 11.68248 16.00068 
1 1 1   19    2   69 o   80.540   7.5289   47.293   7.5682   48.182   9.1632   45.384   13.425   82.756   8.1708   78.324   12.648 4.431839 15.05776 
1 1 1   19    2   70 o  131.135   4.9730  120.058   8.8363  122.470   12.571  117.702   12.424  132.452   7.0034  129.816   7.0621 2.635986 9.945924 
1 1 1   19    2   71 o  109.042   5.2969   83.546   7.8256   85.404   11.076   81.695   11.058  110.294   7.4108  107.791   7.5702 2.503700 10.59370 
1 1 1   19    2   72 o  126.218   5.0841  111.827   8.6954  110.100   12.265  113.572   12.329  125.215   7.2283  127.221   7.1515 -2.006332 10.16823 
1 1 1   19    2   73 o   40.860   9.9609   9.4135   6.5067   21.819   11.981   4.2237   7.7492   51.434   15.728   30.286   12.227 21.14815 19.92185 
1 1 1   19    2   74 o   58.992   9.4838   30.872   7.4416   16.886   13.183   37.412   9.0153   46.014   16.563   71.970   9.2438 -25.95575 18.96759 
1 1 1   19    2   75 o   65.559   7.5881   32.531   6.4296   24.793   9.0498   40.417   9.1364   56.320   12.209   74.797   9.0138 -18.47679 15.17627 
1 1 1   19    2   76 o   53.432   8.6152   22.501   6.0986   22.754   8.7229   22.260   8.5297   53.688   12.259   53.176   12.108 0.5124626 17.23050 
1 1 1   19    2   77 o   48.422   8.8450   18.776   5.8703   21.502   8.4820   16.271   8.1329   51.945   12.249   44.900   12.763 7.045254 17.68994 
1 1 1   19    2   78 o   72.230   8.9510   43.354   7.9683   48.715   10.063   34.345   13.046   81.437   9.1190   63.024   15.405 18.41249 17.90199 
1 1 1   19    2   79 f   39.711   10.217   12.504   6.9227   11.648   8.6592   14.020   11.524   38.195   13.458   41.228   15.377 -3.032909 20.43424 
1 1 1   19    2   80 o   41.425   9.6296   14.449   6.2865   16.909   9.1338   12.235   8.6656   44.298   13.764   38.552   13.471 5.745663 19.25917 
1 1 1   19    2   81 o   33.952   9.1600   7.9853   6.0824   12.875   8.7826   3.4786   8.4318   38.909   13.563   28.994   12.315 9.914253 18.32000 
1 1 1   19    2   82 o   29.774   8.5653   0.4763   7.0262   12.801   8.7103 -22.4826   11.888   38.347   13.499   21.201   10.547 17.14644 17.13055 
1 1 1   19    2   83 o   44.177   8.5494   17.161   7.6229   33.136   9.6933  -8.7304   12.340   62.648   11.852   25.705   12.325 36.94220 17.09880 
1 1 1   19    3    0 o  749.461   8.7822  3808.89   89.162  3697.09  124.148  3927.97  128.133  738.113   12.412  760.810   12.428 -22.69684 17.56443 
1 1 1   19    3    1 o  548.335   13.495  2040.99  100.280   0.0000   0.0000  2040.99  100.280  ?   ?   548.335   13.495      ?      ? 
1 1 1   19    3    2 o  679.040   9.9160  3101.73   85.358  3211.80  151.364  3050.41  103.360  687.557   16.245  670.522   11.375 17.03455 19.83198 
1 1 1   19    3    3 o  794.275   11.349  4324.79  115.859  4162.34  196.231  4411.72  143.551  782.367   18.509  806.182   13.140 -23.81519 22.69854 
1 1 1   19    3    4 o  627.144   8.7646  2665.11   64.201  2677.75  129.432  2660.99   73.939  627.866   15.212  626.423   8.7100 1.443542 17.52929 
1 1 1   19    3    5 o  676.178   9.3022  3088.37   73.313  3134.38  148.623  3073.57   84.280  679.162   16.148  673.194   9.2385 5.968140 18.60434 
1 1 1   19    3    6 f  513.866   7.5479  1801.83   45.415  1770.95   90.721  1812.15   52.462  510.742   13.108  516.990   7.4882 -6.248169 15.09578 
1 1 1   19    3    7 o  389.721   6.2682  1017.77   28.274  1053.73   58.207  1006.66   32.346  394.081   10.899  385.361   6.1940 8.719452 12.53648 
1 1 1   19    3    8 o  519.511   7.5859  1832.43   46.017  1828.93   92.662  1833.58   53.017  518.997   13.175  520.026   7.5233 -1.028625 15.17185 
1 1 1   19    3    9 o  468.296   7.0315  1471.67   38.175  1518.91   78.334  1456.96   43.717  473.023   12.220  463.570   6.9591 9.453125 14.06300 
1 1 1   19    3   10 o  653.491   9.0101  2833.86   67.795  3025.18  141.627  2776.99   77.217  667.121   15.666  639.861   8.9052 27.26007 18.02016 
1 1 1   19    3   11 o  545.254   7.8447  2014.10   49.940  2024.99  100.756  2010.56   57.500  546.000   13.617  544.508   7.7926 1.491272 15.68947 
1 1 1   19    3   12 o  515.813   7.5050  1778.48   44.811  1857.82   92.421  1754.09   51.237  523.018   13.040  508.609   7.4339 14.40823 15.01001 
1 1 1   19    3   13 o  475.356   6.1345  1532.42   39.513  1509.49   55.454  1556.06   56.315  471.745   8.6745  478.967   8.6764 -7.221436 12.26894 
1 1 1   19    3   14 o  468.821   7.5271  1472.77   44.442  1441.48   53.444  1542.90   80.011  460.992   8.5551  476.651   12.387 -15.65900 15.05424 
1 1 1   19    3   15 o  440.040   7.2209  1298.11   40.011  1271.69   48.119  1357.31   72.022  433.000   8.2007  447.080   11.888 -14.08047 14.44185 
1 1 1   19    3   16 o  327.048   6.1870  720.551   25.381  712.357   30.489  739.048   45.806  324.117   6.9415  329.980   10.244 -5.863159 12.37409 
1 1 1   19    3   17 o  397.917   6.5128  1019.36   32.577  936.716   38.664  1221.64   60.489  371.626   7.6774  424.208   10.522 -52.58218 13.02551 
1 1 1   19    3   18 o  297.232   5.6656  610.848   21.882  643.881   27.731  556.335   35.624  308.142   6.6409  286.323   9.1813 21.81894 11.33128 
1 1 1   19    3   19 o  350.448   6.0803  829.393   27.437  820.807   33.796  845.994   46.991  347.877   7.1689  353.019   9.8228 -5.141846 12.16065 
1 1 1   19    3   20 o  708.736   8.3684  3412.99   80.368  3459.38  114.388  3367.76  112.939  713.493   11.831  703.980   11.839 9.512817 16.73676 
1 1 1   19    3   21 o  563.432   6.9474  2153.62   53.020  2089.66   73.609  2222.58   76.434  554.751   9.7915  572.114   9.8587 -17.36298 13.89485 
1 1 1   19    3   22 o  272.205   4.5400  502.533   16.746  511.365   23.744  493.793   23.620  274.586   6.3812  269.824   6.4598 4.762207 9.080085 
1 1 1   19    3   23 f  411.765   7.9001  1150.65   44.082  1150.65   44.082   0.0000   0.0000  411.765   7.9001  ?   ?       ?      ? 
1 1 1   19    3   24 o  296.582   5.7640  595.710   21.839  601.148   37.911  593.010   26.718  297.504   9.4036  295.659   6.6685 1.844055 11.52809 
1 1 1   19    3   25 o  212.847   5.1260  302.700   13.948  321.570   24.473  293.622   16.974  217.635   8.2981  208.060   6.0204 9.574036 10.25200 
1 1 1   19    3   26 o  284.424   4.6175  548.721   17.793  566.765   25.362  531.234   24.967  289.030   6.4753  279.818   6.5844 9.212585 9.234960 
1 1 1   19    3   27 o  125.885   4.1230  107.508   7.0285  112.797   9.9887  102.321   9.8917  128.955   5.7159  122.815   5.9434 6.139816 8.245923 
1 1 1   19    3   28 o  147.441   4.0738  147.475   8.1391  148.563   11.482  146.376   11.540  147.989   5.7252  146.893   5.7970 1.095535 8.147559 
1 1 1   19    3   29 o  326.487   6.9763  723.547   30.865   0.0000   0.0000  723.547   30.865  ?   ?   326.487   6.9763      ?      ? 
1 1 1   19    3   30 o  286.378   4.6493  556.053   18.028  588.857   25.920  525.310   25.092  294.557   6.4935  278.198   6.6558 16.35892 9.298642 
1 1 1   19    3   31 o  396.513   5.4850  1066.65   29.455  1025.69   40.843  1111.04   42.518  388.592   7.7561  404.435   7.7579 -15.84326 10.97002 
1 1 1   19    3   32 o  282.666   4.6339  542.106   17.741  568.135   25.381  517.240   24.807  289.303   6.4739  276.029   6.6319 13.27460 9.267883 
1 1 1   19    3   33 f  375.600   5.3130  957.937   27.035  989.506   38.652  927.699   37.829  381.661   7.4732  369.539   7.5540 12.12216 10.62602 
1 1 1   19    3   34 o  319.328   4.8905  692.398   21.161  685.388   29.651  699.673   30.208  317.685   6.8875  320.972   6.9450 -3.287476 9.781081 
1 1 1   19    3   35 o  297.719   5.8055  604.810   22.194  595.723   37.891  609.555   27.382  295.846   9.4513  299.592   6.7445 -3.746338 11.61104 
1 1 1   19    3   36 o  310.771   5.9299  658.612   23.659  651.240   40.446  662.447   29.170  309.257   9.6510  312.285   6.8929 -3.027161 11.85978 
1 1 1   19    3   37 o  293.909   5.9559  585.533   22.014  582.037   26.540  593.240   39.411  292.723   6.6906  295.096   9.8552 -2.373230 11.91172 
1 1 1   19    3   38 o  273.127   6.6535  508.639   24.591  521.055   34.142  495.256   35.448  276.638   9.1075  269.615   9.7021 7.023468 13.30706 
1 1 1   19    3   39 o  387.898   5.4540  1021.67   28.647  981.798   39.585  1065.51   41.509  379.969   7.6878  395.827   7.7384 -15.85809 10.90797 
1 1 1   19    3   40 o  164.038   4.2333  182.740   9.4069  182.643   13.127  182.841   13.487  163.998   5.9065  164.077   6.0659 -0.7897949E-01 8.466527 
1 1 1   19    3   41 o  130.736   4.3368  115.960   7.6774  112.560   10.608  119.700   11.125  128.729   6.0811  132.744   6.1846 -4.014206 8.673514 
1 1 1   19    3   42 o  258.321   4.5711  453.364   15.998  449.222   22.336  457.725   22.923  257.116   6.4106  259.526   6.5180 -2.409393 9.142269 
1 1 1   19    3   43 o  249.045   5.3971  416.290   17.273  404.451   21.147  440.028   29.943  243.954   6.3966  254.136   8.6947 -10.18213 10.79414 
1 1 1   19    3   44 o  240.906   6.2779  391.081   20.353  461.436   30.529  334.793   27.307  260.222   8.6574  221.589   9.0937 38.63251 12.55573 
1 1 1   19    3   45 o  164.686   4.3416  184.527   9.6595  202.851   13.749  166.665   13.574  172.790   5.8716  156.582   6.3972 16.20819 8.683296 
1 1 1   19    3   46 o  211.852   4.4445  305.232   12.752  316.237   18.000  294.142   18.069  215.701   6.1580  208.002   6.4104 7.698807 8.889006 
1 1 1   19    3   47 o  130.875   4.4875  116.234   7.9260  102.267   10.958  131.560   11.479  122.627   6.5940  139.123   6.0885 -16.49593 8.975005 
1 1 1   19    3   48 o  132.915   4.4915  120.231   8.0636  132.880   11.507  108.027   11.303  139.810   6.0736  126.020   6.6186 13.78951 8.983009 
1 1 1   19    3   49 o  212.211   4.4691  306.328   12.846  317.855   18.214  294.920   18.121  216.197   6.2170  208.225   6.4219 7.971466 8.938242 
1 1 1   19    3   50 o   97.540   4.9987   64.779   6.6068   64.205   9.2757   65.371   9.4127   97.102   7.0491   97.978   7.0893 -0.8756256 9.997396 
1 1 1   19    3   51 o   99.490   5.0100   67.402   6.7525   65.056   9.4575   69.842   9.6442   97.720   7.1418  101.260   7.0282 -3.539894 10.02006 
1 1 1   19    3   52 o  176.981   4.4892  213.283   10.759  223.462   15.254  203.207   15.176  181.201   6.2121  172.760   6.4825 8.441284 8.978474 
1 1 1   19    3   53 o  281.353   4.8475  539.530   18.481  547.082   26.159  532.005   26.113  283.329   6.8131  279.377   6.8974 3.951569 9.694968 
1 1 1   19    3   54 o  200.419   6.4471  273.719   17.510   0.0000   0.0000  273.719   17.510  ?   ?   200.419   6.4471      ?      ? 
1 1 1   19    3   55 o  133.093   6.8639  121.616   12.344  120.218   16.793  123.259   18.208  132.327   9.3647  133.859   10.038 -1.532806 13.72789 
1 1 1   19    3   56 o  177.890   5.4654  207.219   12.523  246.491   22.087  188.614   15.203  189.567   8.5981  166.214   6.7495 23.35329 10.93078 
1 1 1   19    3   57 f  135.852   4.6514  126.034   8.5626  124.840   12.033  127.259   12.188  135.202   6.5675  136.502   6.5886 -1.299973 9.302767 
1 1 1   19    3   58 o  123.163   4.8810  103.789   8.1144   91.996   11.318  116.262   11.640  115.910   7.2055  130.416   6.5860 -14.50609 9.761950 
1 1 1   19    3   59 o  159.386   5.6893  167.495   11.562  195.766   20.769  154.798   13.918  168.413   9.1002  150.360   6.8308 18.05232 11.37866 
1 1 1   19    3   60 o  118.152   6.8427   97.965   10.813   83.424   15.694  111.107   14.920  109.439   10.582  126.865   8.6783 -17.42622 13.68545 
1 1 1   19    3   61 o  145.936   6.4216  147.231   12.681  154.684   18.550  140.693   17.375  149.364   9.1648  142.508   8.9973 6.856430 12.84311 
1 1 1   19    3   62 o  110.609   5.0367   84.220   7.5451   80.926   10.668   87.518   10.673  108.411   7.2612  112.807   6.9820 -4.396751 10.07341 
1 1 1   19    3   63 o   92.142   5.3904   58.818   6.7119   55.665   9.6771   61.741   9.3173   89.675   7.9633   94.610   7.2672 -4.935287 10.78085 
1 1 1   19    3   64 o   29.456   8.0678   3.4117   4.8528  -0.9031   6.9526   7.5109   6.7767   24.927   10.886   33.984   11.910 -9.056625 16.13554 
1 1 1   19    3   65 o  142.114   4.7919  139.290   9.2173  149.221   13.265  130.018   12.817  147.053   6.6565  137.175   6.8950 9.878036 9.583834 
1 1 1   19    3   66 o   80.980   5.8476   45.941   6.3991   42.938   9.1644   48.799   8.9391   78.279   8.6393   83.682   7.8828 -5.403358 11.69514 
1 1 1   19    3   67 o   97.348   5.2868   66.112   6.9529   60.073   9.8016   72.229   9.8646   92.750   7.7983  101.947   7.1404 -9.197372 10.57351 
1 1 1   19    3   68 o   26.295   11.203   0.8208   7.0170   0.8208   7.0170   0.0000   0.0000   26.295   11.203  ?   ?       ?      ? 
1 1 1   19    3   69 o   75.195   6.1672   40.056   6.2698   43.506   8.9385   36.715   8.7968   78.501   8.4025   71.890   9.0297 6.610741 12.33445 
1 1 1   19    3   70 o   43.556   10.118   14.312   6.6220   14.306   7.9916   14.324   11.829   43.186   12.766   43.925   15.702 -0.7388191 20.23664 
1 1 1   19    3   71 o   40.423   9.7465   9.1084   7.8498   22.265   10.730  -6.0418   11.514   52.714   14.546   28.132   12.977 24.58187 19.49307 
1 1 1   19    3   72 o   90.162   5.7825   57.481   7.0326   65.574   10.265   50.322   9.6545   96.273   7.8679   84.051   8.4763 12.22175 11.56504 
1 1 1   19    3   73 o   87.271   6.0600   54.551   7.1483   50.619   10.159   58.406   10.061   83.956   8.9289   90.586   8.1956 -6.630623 12.11994 
1 1 1   19    3   74 o   88.416   5.9192   55.827   7.0608   49.208   9.7978   62.980   10.184   82.762   8.7360   94.069   7.9892 -11.30662 11.83835 
1 1 1   19    3   75 o   41.590   9.8249   10.032   6.6337   24.129   11.723   3.3912   8.0459   53.583   15.355   29.598   12.262 23.98451 19.64980 
1 1 1   19    3   76 o   84.288   7.6084   53.309   8.3346   53.948   10.496   52.218   13.711   86.170   8.9889   82.405   12.278 3.764351 15.21683 
1 1 1   19    3   77 o   51.362   8.8670   21.039   6.3395   29.859   9.3124   13.422   8.6544   61.861   11.533   40.863   13.472 20.99873 17.73406 
1 1 1   19    3   78 o   41.721   9.1426   13.443   6.0070   20.756   8.9778   7.5153   8.0828   50.110   13.081   33.332   12.777 16.77772 18.28528 
1 1 1   19    3   79 o   37.772   9.0845   10.138   6.0359   18.374   8.9739   3.3345   8.1566   46.551   13.462   28.993   12.202 17.55707 18.16905 
1 1 1   19    3   80 o   37.134   8.5665   7.9109   6.0504   21.625   9.0718  -3.0765   8.1201   50.355   13.151   23.912   10.981 26.44323 17.13309 
1 1 1   19    3   81 o   28.058   8.5737   2.4212   5.9940   0.8263   8.8393   3.7789   8.1555   27.253   12.073   28.863   12.177 -1.610058 17.14737 
1 1 1   19    3   82 o   52.133   9.4145   24.028   6.6860   27.334   9.8055   21.156   9.1403   55.733   13.189   48.534   13.438 7.198750 18.82890 
1 1 1   19    3   83 o   42.152   9.7267   16.287   6.6110   22.352   9.6999   11.026   9.0342   48.722   13.969   35.582   13.539 13.14029 19.45331 
1 1 1   19    4    0 o  523.481   7.9970  1871.03   53.964  1898.06   66.972  1821.00   91.118  529.020   9.3420  517.942   12.982 11.07806 15.99390 
1 1 1   19    4    1 o  733.418   10.577  3637.52   98.350  3699.48  173.596  3608.23  119.352  737.682   17.366  729.155   12.079 8.527161 21.15332 
1 1 1   19    4    2 o  637.061   9.4272  2774.03   76.587  2699.88  132.195  2811.49   93.963  630.388   15.475  643.734   10.771 -13.34564 18.85439 
1 1 1   19    4    3 o  452.345   7.3660  1411.22   42.383  1319.75   72.736  1458.25   52.152  440.958   12.172  463.731   8.2989 -22.77243 14.73209 
1 1 1   19    4    4 o  492.301   7.7215  1620.32   47.647  1707.74   86.652  1582.44   57.045  501.553   12.749  483.049   8.7146 18.50378 15.44292 
1 1 1   19    4    5 o  684.565   9.9695  3190.43   86.847  3161.21  151.223  3204.81  106.086  681.933   16.364  687.197   11.392 -5.263977 19.93892 
1 1 1   19    4    6 o  593.586   8.8641  2367.61   66.262  2458.14  119.047  2326.97   79.759  601.515   14.605  585.658   10.050 15.85742 17.72825 
1 1 1   19    4    7 o  698.580   16.647  3318.50  157.588  3318.50  157.588   0.0000   0.0000  698.580   16.647  ?   ?       ?      ? 
1 1 1   19    4    8 o  613.615   9.1380  2571.39   71.420  2514.13  123.711  2600.02   87.469  608.224   15.009  619.008   10.427 -10.78394 18.27596 
1 1 1   19    4    9 o  605.688   9.0366  2512.83   69.814  2426.57  120.197  2556.75   85.765  597.539   14.844  613.836   10.310 -16.29675 18.07324 
1 1 1   19    4   10 o  311.771   5.9295  664.702   23.125  644.978   41.362  673.672   27.892  308.318   9.8996  315.223   6.5295 -6.905426 11.85900 
1 1 1   19    4   11 f  246.192   5.2232  420.746   14.747  392.694   29.967  429.710   16.940  240.596   9.1913  251.788   4.9647 -11.19200 10.44646 
1 1 1   19    4   12 o  316.825   5.9898  671.736   24.000  706.105   42.906  656.086   28.953  322.586   9.8150  311.065   6.8684 11.52118 11.97956 
1 1 1   19    4   13 o  211.819   5.0132  305.485   12.042  301.978   25.238  306.519   13.702  210.982   8.8272  212.655   4.7547 -1.672241 10.02636 
1 1 1   19    4   14 o  635.039   9.3813  2695.99   75.192  2861.65  135.208  2621.81   90.473  648.618   15.383  621.459   10.743 27.15869 18.76261 
1 1 1   19    4   15 o  454.247   5.9497  1398.86   36.612  1358.42   51.012  1441.82   52.577  447.481   8.4123  461.013   8.4159 -13.53177 11.89937 
1 1 1   19    4   16 o  115.815   4.1785   90.733   6.5338  102.208   9.4755   80.331   9.0215  122.783   5.6949  108.847   6.1161 13.93535 8.356941 
1 1 1   19    4   17 o  314.919   4.8086  672.259   20.515  694.263   29.345  651.225   28.692  319.958   6.7681  309.880   6.8326 10.07843 9.617214 
1 1 1   19    4   18 o  167.500   4.0584  190.140   9.2073  181.888   12.883  198.757   13.164  163.786   5.8043  171.215   5.6738 -7.429123 8.116717 
1 1 1   19    4   19 o  208.998   4.1973  296.074   11.885  289.509   16.617  302.952   17.006  206.627   5.9345  211.370   5.9373 -4.742737 8.394619 
1 1 1   19    4   20 o  107.745   4.2761   78.964   6.1986   90.882   8.8409   67.440   8.6932  115.772   5.6352   99.718   6.4332 16.05389 8.552287 
1 1 1   19    4   21 o  302.070   6.0231  627.365   22.861  641.355   27.740  597.753   40.359  307.492   6.6572  296.649   10.040 10.84375 12.04618 
1 1 1   19    4   22 o  282.267   5.8725  546.858   20.772  557.046   25.125  524.856   36.923  286.569   6.4699  277.966   9.8023 8.602356 11.74497 
1 1 1   19    4   23 o  487.620   6.2487  1614.64   41.290  1621.42   58.350  1607.83   58.436  488.650   8.8118  486.590   8.8621 2.059204 12.49736 
1 1 1   19    4   24 o  422.643   5.6967  1206.43   32.543  1116.62   44.206  1312.69   48.083  405.561   8.0434  439.725   8.0692 -34.16327 11.39337 
1 1 1   19    4   25 o  197.770   4.1693  265.413   11.169  272.333   15.731  258.378   15.861  200.374   5.7935  195.165   5.9973 5.208954 8.338572 
1 1 1   19    4   26 o  360.526   5.1762  881.909   25.281  913.180   36.136  851.930   35.382  366.788   7.2701  354.264   7.3700 12.52295 10.35239 
1 1 1   19    4   27 o  401.743   5.5197  1092.82   30.004  1175.27   43.719  1019.41   41.254  416.032   7.7545  387.453   7.8571 28.57828 11.03932 
1 1 1   19    4   28 o  407.959   6.9842  1168.07   36.899  993.117   59.166  1279.43   47.204  381.904   11.432  434.014   8.0260 -52.10999 13.96832 
1 1 1   19    4   29 o  229.317   5.2532  344.822   15.341  392.632   27.516  323.258   18.479  240.381   8.4468  218.253   6.2480 22.12775 10.50648 
1 1 1   19    4   30 o  277.800   5.5910  525.602   20.022  519.906   33.944  528.641   24.795  276.529   9.0582  279.070   6.5565 -2.540955 11.18209 
1 1 1   19    4   31 f  274.874   5.5314  506.509   19.526  534.477   33.887  492.607   23.892  280.368   8.9191  269.380   6.5448 10.98856 11.06273 
1 1 1   19    4   32 o  161.730   4.9085  171.776   10.313  197.845   17.755  158.503   12.669  170.645   7.6778  152.815   6.1177 17.83005 9.817049 
1 1 1   19    4   33 o  402.495   6.9363  1105.64   35.322  1110.78   42.924  1094.85   62.165  404.287   7.8348  400.702   11.448 3.584747 13.87255 
1 1 1   19    4   34 o  189.640   5.1361  243.566   12.564  246.835   21.401  241.846   15.521  190.531   8.2885  188.749   6.0680 1.781845 10.27228 
1 1 1   19    4   35 o  179.969   4.1974  220.076   10.226  230.530   14.408  209.465   14.516  184.289   5.7692  175.650   6.0983 8.639862 8.394862 
1 1 1   19    4   36 o  356.870   5.2024  863.414   25.127  821.469   34.503  910.782   36.665  347.669   7.3233  366.072   7.3911 -18.40231 10.40472 
1 1 1   19    4   37 o  321.241   4.9550  698.791   21.516  772.654   31.384  633.287   29.555  337.221   6.8676  305.262   7.1445 31.95889 9.909973 
1 1 1   19    4   38 o  190.872   4.2696  245.868   11.003  219.688   14.955  276.771   16.248  179.856   6.1358  201.889   5.9389 -22.03336 8.539272 
1 1 1   19    4   39 o   64.590   6.2636   26.635   5.3078   20.943   6.6049   37.013   8.9182   55.459   8.7885   73.720   8.9271 -18.26174 12.52719 
1 1 1   19    4   40 o  198.842   5.9592  268.536   16.058  268.536   16.058   0.0000   0.0000  198.842   5.9592  ?   ?       ?      ? 
1 1 1   19    4   41 o  215.303   5.6433  320.725   15.023  328.715   18.019  302.512   27.206  219.977   6.0445  210.628   9.5316 9.349060 11.28667 
1 1 1   19    4   42 o  234.867   6.3790  374.876   20.303   0.0000   0.0000  374.876   20.303  ?   ?   234.867   6.3790      ?      ? 
1 1 1   19    4   43 o  103.882   4.6889   72.915   6.5514   61.268   8.9219   86.543   9.6511   94.918   6.9363  112.845   6.3112 -17.92740 9.377785 
1 1 1   19    4   44 o  290.386   4.8248  572.700   18.956  619.888   27.309  528.825   26.333  301.937   6.6743  278.835   6.9690 23.10214 9.649526 
1 1 1   19    4   45 o  294.897   4.8518  591.189   19.381  580.679   26.938  602.468   27.905  292.191   6.8031  297.603   6.9194 -5.411987 9.703626 
1 1 1   19    4   46 o  198.886   5.3077  258.653   13.556  302.379   24.006  238.183   16.425  210.617   8.4109  187.156   6.4763 23.46100 10.61533 
1 1 1   19    4   47 o  286.416   5.8431  549.649   21.407  588.011   37.561  531.195   26.052  293.425   9.4461  279.407   6.8805 14.01846 11.68629 
1 1 1   19    4   48 o  154.685   4.4554  162.876   9.3295  170.428   13.142  155.204   13.247  158.319   6.1255  151.051   6.4714 7.267365 8.910708 
1 1 1   19    4   49 f  284.472   4.8109  550.254   18.536  530.315   25.738  571.740   26.718  279.123   6.8044  289.820   6.8028 -10.69699 9.621734 
1 1 1   19    4   50 o   71.017   5.9245   34.452   5.6883   31.535   7.9945   37.442   8.0955   67.951   8.6818   74.082   8.0639 -6.130920 11.84906 
1 1 1   19    4   51 o  211.122   4.5511  303.046   13.006  324.086   18.730  283.454   18.074  218.205   6.3341  204.038   6.5367 14.16667 9.102197 
1 1 1   19    4   52 o  379.100   6.7319  973.005   32.555  1019.28   57.133  950.754   39.616  385.020   10.950  373.181   7.8337 11.83820 13.46376 
1 1 1   19    4   53 o  188.560   4.5277  241.843   11.554  225.085   16.017  260.021   16.683  181.745   6.5035  195.375   6.3012 -13.62994 9.055432 
1 1 1   19    4   54 o  209.052   4.5459  297.352   12.865  280.624   17.776  315.753   18.643  202.882   6.4654  215.221   6.3922 -12.33897 9.091859 
1 1 1   19    4   55 o  227.380   4.6214  352.542   14.220  378.949   20.382  327.497   19.849  235.709   6.3810  219.052   6.6867 16.65617 9.242765 
1 1 1   19    4   56 o  194.520   4.5809  258.349   12.054  279.013   17.200  238.405   16.897  202.209   6.2768  186.830   6.6740 15.37878 9.161862 
1 1 1   19    4   57 o  181.442   6.0708  231.548   13.453  238.991   16.044  213.925   24.688  187.065   6.3289  175.819   10.362 11.24532 12.14164 
1 1 1   19    4   58 o  133.450   6.6111  121.827   11.956  121.827   11.956   0.0000   0.0000  133.450   6.6111  ?   ?       ?      ? 
1 1 1   19    4   59 o  125.533   4.8366  108.077   8.2144  115.438   11.644  100.785   11.590  129.836   6.6179  121.229   7.0550 8.607002 9.673120 
1 1 1   19    4   60 o   89.684   5.5655   55.510   6.5985   72.438   9.6435   40.606   9.0484  102.735   6.9268   76.634   8.7130 26.10093 11.13093 
1 1 1   19    4   61 o  125.676   6.7871  108.491   11.559  108.491   11.559   0.0000   0.0000  125.676   6.7871  ?   ?       ?      ? 
1 1 1   19    4   62 o   56.288   10.731   22.947   7.8867   0.0000   0.0000   22.947   7.8867  ?   ?    56.288   10.731      ?      ? 
1 1 1   19    4   63 o   85.683   7.9737   51.433   9.1100   55.537   14.423   48.708   11.751   88.217   12.065   83.149   10.429 5.068466 15.94735 
1 1 1   19    4   64 o   59.116   7.2907   25.188   5.6664   21.610   8.0306   28.736   7.9966   54.197   11.300   64.036   9.2151 -9.839054 14.58145 
1 1 1   19    4   65 o  122.069   4.9272  103.151   8.1464   99.053   11.480  107.308   11.562  119.583   7.0844  124.555   6.8498 -4.971909 9.854319 
1 1 1   19    4   66 o   68.201   6.8818   33.471   6.0554   42.607   8.7667   25.136   8.3739   77.999   8.2940   58.402   10.984 19.59686 13.76360 
1 1 1   19    4   67 o   73.110   6.3893   37.925   6.1828   48.585   8.9695   28.274   8.5343   83.285   7.9473   62.936   10.007 20.34873 12.77855 
1 1 1   19    4   68 o   79.133   8.2446   49.880   7.5532   36.951   13.216   56.152   9.2047   68.711   14.641   89.555   7.5847 -20.84324 16.48924 
1 1 1   19    4   69 o   42.843   9.5901   14.014   6.0876   12.882   10.530   14.583   7.4608   41.993   14.836   43.692   12.157 -1.699581 19.18011 
1 1 1   19    4   70 o   71.610   6.5447   36.792   6.3343   39.095   8.8708   34.397   9.0480   74.070   8.8376   69.150   9.6556 4.920731 13.08948 
1 1 1   19    4   71 o   91.432   5.7515   59.343   7.1120   63.239   10.031   55.405   10.085   94.604   7.8246   88.260   8.4317 6.344933 11.50296 
1 1 1   19    4   72 o   48.281   10.150   18.751   6.8186   19.260   8.0876   17.501   12.679   49.803   12.102   46.759   16.297 3.043304 20.29932 
1 1 1   19    4   73 o   84.263   8.5260   50.818   9.7356   50.818   9.7356   0.0000   0.0000   84.263   8.5260  ?   ?       ?      ? 
1 1 1   19    4   74 o   71.342   8.0546   35.921   7.3615   26.949   9.1819   52.065   12.317   58.961   11.902   83.724   10.856 -24.76245 16.10922 
1 1 1   19    4   75 o   64.015   7.6619   30.753   6.4900   34.206   9.5390   27.777   8.8556   67.952   10.359   60.078   11.292 7.874130 15.32374 
1 1 1   19    4   76 f   42.826   8.7894   14.382   5.9278   6.5019   8.4396   22.054   8.3279   32.829   12.922   52.823   11.917 -19.99389 17.57879 
1 1 1   19    4   77 o   31.666   9.2485   4.5518   6.6974  -4.8886   12.325   8.5078   7.9782   28.836   13.345   34.496   12.808 -5.660585 18.49693 
1 1 1   19    4   78 o   38.763   9.2618   11.835   6.1791   5.8037   9.0416   17.120   8.4641   32.203   13.132   45.323   13.065 -13.11974 18.52365 
1 1 1   19    4   79 o   30.669   8.9672   4.8240   6.0409   5.6456   9.0341   4.1597   8.1243   31.766   13.060   29.572   12.292 2.193802 17.93439 
1 1 1   19    4   80 o   50.378   9.1416   22.078   6.4342   16.508   9.3419   27.106   8.8748   43.225   13.982   57.531   11.780 -14.30548 18.28315 
1 1 1   19    4   81 o   44.232   10.511   18.551   7.4104   16.365   12.991   19.605   9.0223   41.590   16.129   46.873   13.482 -5.282703 21.02167 
1 1 1   19    4   82 o   31.895   9.4306   6.5680   6.9478   0.7338   12.209   9.3621   8.4492   29.854   13.618   33.937   13.050 -4.083344 18.86124 
1 1 1   19    5    0 o  853.188   9.8221  4941.78  113.535  5049.11  162.695  4839.90  158.513  862.210   13.924  844.167   13.856 18.04254 19.64416 
1 1 1   19    5    1 o  478.513   6.1833  1552.93   40.095  1562.24   56.804  1543.68   56.603  479.944   8.7338  477.082   8.7552 2.861877 12.36659 
1 1 1   19    5    2 o  232.733   4.3363  366.542   13.653  397.684   19.724  337.890   18.919  242.210   6.0093  223.256   6.2533 18.95438 8.672667 
1 1 1   19    5    3 o  252.714   5.2629  424.688   15.005  448.178   32.190  418.167   16.961  257.043   9.2413  248.385   5.0389 8.657135 10.52578 
1 1 1   19    5    4 o  150.900   5.1243  159.227   8.3490  146.444   18.367  162.557   9.3734  146.930   9.2243  154.870   4.4663 -7.940079 10.24868 
1 1 1   19    5    5 f  534.153   7.8124  1964.18   48.974  1880.87   96.836  1992.81   56.769  526.207   13.580  542.099   7.7277 -15.89240 15.62475 
1 1 1   19    5    6 o  1223.17   15.881 10212.07  227.883 10200.88  455.284 10215.81  263.229  1220.58   27.525  1225.75   15.847 -5.171509 31.76122 
1 1 1   19    5    7 o  826.224   11.756  4590.60  122.987  4791.50  218.961  4498.00  148.652  838.727   19.265  813.721   13.481 25.00702 23.51297 
1 1 1   19    5    8 o  327.897   7.2838  729.001   32.343  713.791   44.753  745.631   46.795  324.325   10.183  331.468   10.418 -7.143005 14.56767 
1 1 1   19    5    9 o  382.543   7.8382  991.734   40.585  1061.67   58.627  927.381   56.240  395.480   10.939  369.605   11.229 25.87454 15.67641 
1 1 1   19    5   10 o  621.334   10.769  2625.37   90.670  2645.50  128.267  2605.26  128.188  623.723   15.175  618.945   15.283 4.778442 21.53755 
1 1 1   19    5   11 o  626.722   10.836  2671.34   92.024  2714.06  130.816  2629.48  129.476  631.689   15.282  621.754   15.367 9.934875 21.67207 
1 1 1   19    5   12 o  626.619   10.846  2670.57   92.082  2637.95  128.764  2704.72  131.735  622.717   15.259  630.521   15.418 -7.804932 21.69186 
1 1 1   19    5   13 o  683.141   11.625  3177.06  107.609  3231.60  153.134  3123.85  151.249  688.940   16.402  677.342   16.478 11.59875 23.24994 
1 1 1   19    5   14 o  550.113   9.8253  2058.10   73.241  2080.16  103.456  2035.95  103.702  553.080   13.803  547.145   13.986 5.934998 19.65061 
1 1 1   19    5   15 o  550.312   8.4863  2092.82   60.238  1939.50  100.186  2179.63   75.388  533.997   13.845  566.627   9.8179 -32.63037 16.97256 
1 1 1   19    5   16 o  359.185   6.0185  874.727   24.988  876.975   51.127  874.021   28.641  359.345   10.499  359.026   5.8869 0.3193970 12.03701 
1 1 1   19    5   17 o  438.986   6.7459  1291.78   34.203  1340.26   70.650  1276.94   39.090  444.067   11.740  433.904   6.6479 10.16312 13.49183 
1 1 1   19    5   18 o  507.065   6.4341  1745.55   44.211  1748.70   62.494  1742.40   62.553  507.524   9.0866  506.606   9.1116 0.9180908 12.86810 
1 1 1   19    5   19 o  495.755   6.3217  1668.64   42.470  1674.22   60.041  1663.05   60.083  496.587   8.9222  494.924   8.9584 1.663239 12.64347 
1 1 1   19    5   20 o  594.196   7.2463  2398.80   58.346  2425.44   82.922  2372.69   82.112  597.463   10.242  590.928   10.254 6.535034 14.49259 
1 1 1   19    5   21 o  422.179   5.6694  1209.87   32.435  1211.14   45.762  1208.59   45.978  422.404   7.9946  421.955   8.0409 0.4484863 11.33886 
1 1 1   19    5   22 o  166.112   4.0518  187.166   9.1193  188.363   12.806  185.935   12.989  166.653   5.6705  165.572   5.7892 1.080841 8.103638 
1 1 1   19    5   23 o  148.056   4.0201  148.726   8.0623  150.664   11.286  146.708   11.521  149.043   5.5880  147.069   5.7808 1.974716 8.040124 
1 1 1   19    5   24 o  142.033   4.0666  136.645   7.8204  129.178   10.848  144.723   11.284  137.998   5.8011  146.068   5.7006 -8.070175 8.133239 
1 1 1   19    5   25 o  349.905   6.1568  830.998   27.790  834.407   47.222  829.192   34.373  350.310   9.9475  349.499   7.2575 0.8106079 12.31353 
1 1 1   19    5   26 o  221.913   6.2613  336.333   18.646  348.119   24.956  321.440   28.054  226.387   8.1348  217.440   9.5207 8.946762 12.52269 
1 1 1   19    5   27 o  452.981   5.9647  1393.43   36.603  1440.21   52.428  1348.93   51.127  460.400   8.4032  445.562   8.4675 14.83835 11.92947 
1 1 1   19    5   28 o  345.095   5.0830  808.673   23.765  830.759   33.699  786.821   33.520  349.791   7.1094  340.400   7.2666 9.391571 10.16595 
1 1 1   19    5   29 o  364.809   7.5853  903.419   37.419  865.427   50.927  947.993   55.162  356.531   10.541  373.087   10.911 -16.55618 15.17061 
1 1 1   19    5   30 o  275.040   9.2696  514.558   34.549  514.558   34.549   0.0000   0.0000  275.040   9.2696  ?   ?       ?      ? 
1 1 1   19    5   31 o  284.645   5.6715  525.613   20.394  619.659   37.397  485.804   24.330  301.812   9.1436  267.478   6.7124 34.33398 11.34291 
1 1 1   19    5   32 o  354.845   6.4012  868.143   29.238  818.829   49.080  895.271   36.403  346.689   10.447  363.001   7.4002 -16.31198 12.80230 
1 1 1   19    5   33 o  262.503   4.5349  467.553   16.122  458.497   22.338  477.400   23.292  259.858   6.3434  265.148   6.4825 -5.290283 9.069839 
1 1 1   19    5   34 o  363.978   6.4304  926.581   30.309  999.153   38.551  809.121   49.046  383.430   7.4194  344.526   10.505 38.90411 12.86090 
1 1 1   19    5   35 o  189.564   5.0081  245.569   12.279  248.933   15.295  239.472   20.593  191.484   5.8943  187.645   8.0983 3.839432 10.01627 
1 1 1   19    5   36 o  328.001   4.9915  731.278   22.179  753.066   31.382  709.532   31.351  332.898   6.9564  323.105   7.1602 9.793396 9.983002 
1 1 1   19    5   37 o  292.027   4.7485  579.649   18.780  603.268   26.586  556.125   26.533  297.982   6.5839  286.071   6.8444 11.91110 9.496984 
1 1 1   19    5   38 o  286.105   4.7153  556.494   18.271  576.609   25.794  536.236   25.885  291.313   6.5340  280.897   6.8002 10.41589 9.430607 
1 1 1   19    5   39 o  218.015   4.3797  323.318   12.912  348.006   18.276  298.717   18.244  226.356   5.9582  209.674   6.4209 16.68224 8.759401 
1 1 1   19    5   40 o  232.684   4.4464  366.424   13.992  343.482   19.081  393.111   20.579  224.839   6.2624  240.529   6.3137 -15.69012 8.892708 
1 1 1   19    5   41 o  171.451   4.2836  199.875   9.9419  203.878   13.831  195.594   14.301  173.242   5.8912  169.661   6.2203 3.580750 8.567257 
1 1 1   19    5   42 o  167.849   4.3156  190.997   9.8048  181.224   13.492  201.935   14.274  163.310   6.0963  172.389   6.1100 -9.078430 8.631202 
1 1 1   19    5   43 o  288.232   6.2130  585.460   22.383  620.255   27.344  514.805   38.965  302.021   6.6810  274.443   10.477 27.57800 12.42594 
1 1 1   19    5   44 o  285.859   6.0915  558.335   21.709  560.313   26.055  553.842   39.258  287.034   6.6985  284.684   10.176 2.350677 12.18299 
1 1 1   19    5   45 o  250.258   4.6143  425.634   15.615  464.923   22.417  388.598   21.765  261.498   6.3258  239.019   6.7195 22.47900 9.228625 
1 1 1   19    5   46 o  220.276   4.4749  330.135   13.349  342.180   18.819  317.936   18.939  224.339   6.1902  216.212   6.4639 8.126953 8.949860 
1 1 1   19    5   47 o  365.477   5.4037  898.593   26.576  1058.03   40.050  773.154   35.524  394.116   7.4988  336.837   7.7824 57.27954 10.80734 
1 1 1   19    5   48 o  214.481   6.4795  313.004   18.833   0.0000   0.0000  313.004   18.833  ?   ?   214.481   6.4795      ?      ? 
1 1 1   19    5   49 o  198.666   6.4492  268.610   17.362   0.0000   0.0000  268.610   17.362  ?   ?   198.666   6.4492      ?      ? 
1 1 1   19    5   50 o  182.551   4.4537  227.026   11.006  238.175   15.521  215.751   15.609  187.086   6.1219  178.017   6.4702 9.069214 8.907403 
1 1 1   19    5   51 o  154.260   4.5363  160.479   9.4006  133.374   12.683  193.522   14.004  139.913   6.6893  168.608   6.1289 -28.69557 9.072519 
1 1 1   19    5   52 o  224.665   4.5763  343.987   13.928  345.846   19.474  342.041   19.927  225.305   6.3783  224.026   6.5640 1.279083 9.152583 
1 1 1   19    5   53 o  128.088   4.7593  111.334   8.1743   90.544   11.146  135.527   12.024  115.163   7.1423  141.013   6.2922 -25.85079 9.518644 
1 1 1   19    5   54 o  178.811   5.4513  225.878   12.511  244.546   15.781  194.299   20.525  189.393   6.1488  168.228   9.0032 21.16560 10.90252 
1 1 1   19    5   55 o   83.004   6.1814   46.018   6.7755   41.918   8.5203   53.071   11.175   78.200   8.0402   87.807   9.3911 -9.606972 12.36276 
1 1 1   19    5   56 o   37.222   8.1985   8.7970   4.9739   3.0403   6.9426   14.867   7.1293   29.058   11.629   45.385   11.560 -16.32771 16.39701 
1 1 1   19    5   57 o  163.997   4.5801  183.650   10.170  174.066   14.108  194.021   14.675  159.537   6.5255  168.457   6.4286 -8.919754 9.160194 
1 1 1   19    5   58 o  155.676   4.6089  165.187   9.6843  145.680   13.269  187.421   14.166  145.836   6.7142  165.517   6.3158 -19.68141 9.217896 
1 1 1   19    5   59 o   57.328   9.2473   20.335   6.4696   15.206   7.5143   35.029   12.719   45.672   11.989   68.984   14.082 -23.31266 18.49461 
1 1 1   19    5   60 o   86.886   7.1394   51.063   7.6430   48.868   9.0065   56.708   14.447   84.150   7.8981   89.622   11.896 -5.471840 14.27882 
1 1 1   19    5   61 o  133.406   4.7654  122.410   8.6129  125.290   12.162  119.512   12.199  135.007   6.6475  131.805   6.8300 3.201859 9.530889 
1 1 1   19    5   62 o   76.969   6.0164   41.233   6.1768   32.308   8.5229   51.106   8.9643   68.007   9.2480   85.930   7.6982 -17.92289 12.03279 
1 1 1   19    5   63 o  161.886   4.7182  180.171   10.298  156.251   14.170  206.946   14.991  150.412   6.9517  173.360   6.3811 -22.94777 9.436374 
1 1 1   19    5   64 o   79.995   7.3925   45.640   7.4114   44.842   13.170   46.010   8.9659   78.760   12.339   81.229   8.1452 -2.468857 14.78508 
1 1 1   19    5   65 o   55.868   11.054   23.056   8.0727   0.0000   0.0000   23.056   8.0727  ?   ?    55.868   11.054      ?      ? 
1 1 1   19    5   66 o   45.948   9.2729   15.526   7.2766   0.7556   10.979   27.096   9.7173   31.944   13.816   59.951   12.371 -28.00670 18.54572 
1 1 1   19    5   67 o  117.355   5.1211   96.084   8.1402  100.330   11.621   91.994   11.406  119.943   7.1494  114.767   7.3340 5.176254 10.24218 
1 1 1   19    5   68 o   91.974   5.6010   59.336   6.9488   51.932   9.5634   67.617   10.114   85.780   8.2271   98.168   7.6027 -12.38770 11.20205 
1 1 1   19    5   69 o   89.600   5.7093   56.616   6.9157   51.460   9.5846   62.217   9.9885   85.249   8.2966   93.951   7.8455 -8.702011 11.41864 
1 1 1   19    5   70 o   28.254   8.2206   2.8249   5.0704   2.0362   7.0367   3.6766   7.3124   27.234   11.390   29.273   11.857 -2.038887 16.44112 
1 1 1   19    5   71 o   45.685   9.6231   16.292   6.3117   15.321   8.1535   17.744   9.9702   44.266   12.841   47.103   14.336 -2.837414 19.24623 
1 1 1   19    5   72 o   47.341   8.5089   17.453   5.4989   19.938   7.8441   15.052   7.7108   50.812   11.642   43.870   12.413 6.941479 17.01774 
1 1 1   19    5   73 o   78.238   6.2011   44.054   6.5696   46.133   9.3269   42.006   9.2552   80.165   8.5855   76.310   8.9500 3.855507 12.40215 
1 1 1   19    5   74 o   46.800   9.7115   18.944   7.1394   24.480   8.8162   8.3985   12.169   55.942   11.990   37.657   15.280 18.28438 19.42293 
1 1 1   19    5   75 o   66.803   9.3021   34.620   7.8616   32.706   9.6582   38.380   13.534   66.033   10.793   67.573   15.153 -1.540092 18.60419 
1 1 1   19    5   76 o   30.609   8.6755   4.0684   5.6695   9.1408   8.3748  -0.2229   7.7030   35.498   13.134   25.720   11.338 9.778822 17.35106 
1 1 1   19    5   77 o   43.025   9.2941   15.402   6.0508   11.886   8.8032   18.551   8.3305   38.585   13.572   47.466   12.701 -8.880871 18.58828 
1 1 1   19    5   78 f   41.197   9.6203   14.403   6.3709   11.175   9.6113   16.933   8.5087   37.624   14.041   44.769   13.155 -7.144211 19.24064 
1 1 1   19    5   79 o   31.489   12.641   6.2639   8.2321   0.0000   0.0000   6.2639   8.2321  ?   ?    31.489   12.641      ?      ? 
1 1 1   19    5   80 o   32.475   10.081   4.2757   8.4793   3.0469   11.377   5.8114   12.718   31.117   13.745   33.833   14.750 -2.715830 20.16183 
1 1 1   19    5   81 o   26.607   12.548  -5.3918   11.775   0.0000   0.0000  -5.3918   11.775  ?   ?    26.607   12.548      ?      ? 
1 1 1   19    6    0 o  635.253   7.6779  2738.03   66.086  2784.71   94.469  2693.30   92.481  640.552   10.883  629.955   10.833 10.59613 15.35583 
1 1 1   19    6    1 o  353.106   6.1255  818.179   27.689  928.606   49.110  766.719   33.525  369.952   9.7959  336.260   7.3572 33.69110 12.25101 
1 1 1   19    6    2 o  505.896   7.7321  1696.61   49.710  1625.40   59.997  1852.54   88.779  489.495   9.0448  522.297   12.543 -32.80157 15.46426 
1 1 1   19    6    3 o  772.205   11.101  4029.68  108.775  4127.19  191.978  3983.57  132.011  778.562   18.196  765.848   12.720 12.71393 22.20108 
1 1 1   19    6    4 o  638.814   9.5385  2802.41   78.263  2677.51  132.475  2869.38   96.999  627.469   15.580  650.158   11.009 -22.68927 19.07708 
1 1 1   19    6    5 o  361.869   7.7097  889.080   37.798  898.402   53.067  879.480   53.851  363.804   10.764  359.935   11.041 3.868378 15.41944 
1 1 1   19    6    6 o  465.237   8.8250  1469.07   55.612  1433.45   77.202  1507.48   80.176  459.388   12.401  471.086   12.559 -11.69846 17.65007 
1 1 1   19    6    7 o  492.663   9.1569  1648.22   61.112  1614.94   85.058  1683.73   87.862  487.534   12.874  497.793   13.025 -10.25922 18.31376 
1 1 1   19    6    8 o  692.644   11.782  3262.23  110.509  3160.05  152.830  3374.20  159.982  681.313   16.553  703.976   16.770 -22.66315 23.56343 
1 1 1   19    6    9 o  540.820   9.7421  1988.56   71.396  2009.99  101.046  1967.20  100.892  543.737   13.714  537.902   13.841 5.834839 19.48425 
1 1 1   19    6   10 o  300.825   7.0645  613.753   28.782  599.060   39.861  629.756   41.601  297.072   9.9016  304.578   10.079 -7.505859 14.12909 
1 1 1   19    6   11 o  220.829   6.5340  330.376   19.527  320.245   26.784  341.871   28.528  217.227   9.0987  224.430   9.3802 -7.203384 13.06810 
1 1 1   19    6   12 o  489.083   9.0727  1626.06   60.121  1617.76   84.152  1634.71   85.924  487.821   12.730  490.345   12.931 -2.523193 18.14548 
1 1 1   19    6   13 o  210.752   6.4720  301.250   18.459  297.036   25.379  305.983   26.898  209.196   8.9522  212.307   9.3491 -3.110565 12.94404 
1 1 1   19    6   14 o  249.290   6.6510  422.360   22.439  445.956   31.662  398.549   31.805  256.308   9.1157  242.273   9.6876 14.03526 13.30205 
1 1 1   19    6   15 o  239.260   6.6392  388.975   21.417  441.518   30.708  339.214   29.884  255.030   8.8854  223.490   9.8674 31.53975 13.27842 
1 1 1   19    6   16 o  341.331   7.4114  786.726   34.174  726.268   46.208  859.722   50.773  326.950   10.429  355.713   10.533 -28.76306 14.82273 
1 1 1   19    6   17 o  419.517   11.822  1196.90   67.209   0.0000   0.0000  1196.90   67.209  ?   ?   419.517   11.822      ?      ? 
1 1 1   19    6   18 o  344.943   10.753  808.810   50.264   0.0000   0.0000  808.810   50.264  ?   ?   344.943   10.753      ?      ? 
1 1 1   19    6   19 o  390.549   11.362  1037.41   60.133   0.0000   0.0000  1037.41   60.133  ?   ?   390.549   11.362      ?      ? 
1 1 1   19    6   20 o  390.664   11.382  1038.25   60.258   0.0000   0.0000  1038.25   60.258  ?   ?   390.664   11.382      ?      ? 
1 1 1   19    6   21 o  298.725   4.7146  603.038   19.046  561.702   25.992  650.975   27.990  287.714   6.6664  309.735   6.6686 -22.02078 9.429294 
1 1 1   19    6   22 o  282.706   4.6106  542.122   17.650  572.109   25.219  513.333   24.710  290.373   6.4090  275.040   6.6298 15.33337 9.221145 
1 1 1   19    6   23 o  416.676   5.6441  1177.59   31.847  1137.88   44.058  1221.04   46.089  409.333   7.9426  424.018   8.0210 -14.68521 11.28811 
1 1 1   19    6   24 o  551.279   8.5668  2073.86   59.760  2079.67   72.602  2061.64  105.239  553.030   9.6876  549.529   14.132 3.500793 17.13363 
1 1 1   19    6   25 o  470.179   8.8803  1496.86   56.364  1389.55   75.770  1629.82   84.338  451.482   12.384  488.876   12.730 -37.39404 17.76055 
1 1 1   19    6   26 o  214.473   4.2737  311.746   12.412  301.610   17.162  322.861   17.972  210.824   6.0072  218.121   6.0803 -7.296768 8.547322 
1 1 1   19    6   27 o  297.705   6.6045  601.658   26.644  601.658   26.644   0.0000   0.0000  297.705   6.6045  ?   ?       ?      ? 
1 1 1   19    6   28 o  272.374   4.6037  502.569   16.939  561.146   24.538  449.242   23.413  287.521   6.2978  257.228   6.7166 30.29318 9.207335 
1 1 1   19    6   29 o  145.005   5.6580  142.686   11.118  142.686   11.118   0.0000   0.0000  145.005   5.6580  ?   ?       ?      ? 
1 1 1   19    6   30 o  122.982   4.6894   99.138   7.5398   90.166   9.3262  116.065   12.810  115.255   5.9712  130.710   7.2322 -15.45451 9.378710 
1 1 1   19    6   31 o  169.240   4.1581  194.115   9.5253  188.428   13.095  200.507   13.881  166.616   5.7997  171.864   5.9601 -5.248795 8.316207 
1 1 1   19    6   32 o  218.361   4.2920  323.667   12.694  321.968   17.652  325.486   18.268  217.775   5.9814  218.949   6.1568 -1.174072 8.583934 
1 1 1   19    6   33 o  207.450   4.2921  292.591   12.048  308.629   16.954  276.228   17.125  213.215   5.8678  201.685   6.2657 11.52988 8.584289 
1 1 1   19    6   34 o  309.092   6.0785  662.975   24.139  608.166   40.354  693.517   30.123  298.715   9.9688  319.469   6.9581 -20.75418 12.15702 
1 1 1   19    6   35 o  266.135   5.6673  480.629   19.294  485.418   33.402  478.230   23.636  266.955   9.2333  265.315   6.5740 1.640015 11.33451 
1 1 1   19    6   36 o  230.150   4.3906  359.091   13.677  346.340   18.777  373.502   19.961  225.812   6.1360  234.487   6.2817 -8.674179 8.781281 
1 1 1   19    6   37 o  190.824   4.2759  247.876   11.026  268.185   15.547  227.325   15.639  198.726   5.7731  182.922   6.3090 15.80360 8.551708 
1 1 1   19    6   38 o  222.974   4.3988  338.161   13.276  350.100   18.570  325.680   18.987  227.022   6.0363  218.926   6.4000 8.095352 8.797544 
1 1 1   19    6   39 o  157.584   4.2667  167.817   9.0870  153.688   12.363  184.422   13.402  150.405   6.0655  164.764   6.0025 -14.35843 8.533470 
1 1 1   19    6   40 o  197.340   4.3350  265.044   11.573  279.720   16.246  249.927   16.489  202.915   5.9083  191.765   6.3452 11.14923 8.670025 
1 1 1   19    6   41 o  173.410   4.3121  204.545   10.123  210.407   14.134  198.372   14.504  175.977   5.9270  170.843   6.2648 5.134384 8.624210 
1 1 1   19    6   42 o  222.343   4.4839  335.819   13.455  378.372   19.384  296.247   18.693  235.958   6.0621  208.728   6.6086 27.23032 8.967870 
1 1 1   19    6   43 o   75.776   5.6810   39.407   5.6122   26.417   7.6816   54.278   8.2192   62.223   9.1100   89.329   6.7897 -27.10637 11.36191 
1 1 1   19    6   44 o  183.174   5.2077  226.190   12.405  236.300   20.901  220.692   15.414  186.189   8.2839  180.160   6.3135 6.028214 10.41549 
1 1 1   19    6   45 o  100.388   7.4578   71.526   9.7422   81.850   12.773   57.170   15.063  109.538   8.6052   91.237   12.183 18.30067 14.91557 
1 1 1   19    6   46 o   62.040   8.8039   23.848   6.2837   20.537   7.1416   35.197   13.222   53.929   10.144   70.150   14.392 -16.22066 17.60781 
1 1 1   19    6   47 o  150.549   4.4534  153.440   9.0570  137.760   12.371  171.553   13.296  142.289   6.4158  158.809   6.1782 -16.51988 8.906897 
1 1 1   19    6   48 o  123.914   4.6037  104.581   7.7223  105.990   10.719  103.061   11.134  124.797   6.3384  123.031   6.6784 1.766472 9.207370 
1 1 1   19    6   49 o  151.690   4.4751  156.865   9.1845  162.002   12.776  151.372   13.212  154.288   6.1108  149.093   6.5394 5.194946 8.950130 
1 1 1   19    6   50 f  205.151   5.4694  278.550   14.421  314.849   25.334  261.148   17.541  214.527   8.7145  195.776   6.6116 18.75047 10.93877 
1 1 1   19    6   51 o  131.448   6.4572  119.669   11.331   96.715   16.083  142.293   15.967  118.649   10.003  144.247   8.1685 -25.59772 12.91435 
1 1 1   19    6   52 o  145.637   5.3793  146.066   10.141  148.768   12.664  141.239   16.928  147.725   6.3263  143.550   8.7022 4.175583 10.75869 
1 1 1   19    6   53 o  220.828   4.5945  331.780   13.729  312.003   18.839  354.179   20.049  213.830   6.5013  227.827   6.4939 -13.99672 9.188973 
1 1 1   19    6   54 o  134.522   4.6410  123.618   8.4527  124.336   11.726  122.841   12.196  134.953   6.4116  134.091   6.7118 0.8620605 9.282075 
1 1 1   19    6   55 o  148.123   4.6574  149.117   9.3061  130.566   12.689  170.708   13.689  138.173   6.7768  158.073   6.3906 -19.89986 9.314811 
1 1 1   19    6   56 o  175.480   4.6081  210.728   10.952  215.424   15.368  205.881   15.613  177.499   6.3891  173.460   6.6421 4.039429 9.216186 
1 1 1   19    6   57 o  153.924   4.6717  161.761   9.7271  149.452   13.370  175.601   14.178  147.705   6.6797  160.144   6.5330 -12.43875 9.343377 
1 1 1   19    6   58 o  198.004   4.6080  268.660   12.362  265.544   17.288  271.919   17.684  196.842   6.4812  199.166   6.5520 -2.324036 9.216032 
1 1 1   19    6   59 o  132.735   4.7708  120.997   8.5796  120.125   11.996  121.911   12.276  132.260   6.6932  133.211   6.8001 -0.9512482 9.541517 
1 1 1   19    6   60 o   67.565   6.3462   31.751   5.7296   25.215   7.8945   39.025   8.3286   60.071   9.6979   75.059   8.1881 -14.98874 12.69232 
1 1 1   19    6   61 o   68.178   8.3429   31.740   6.9036   29.095   8.1516   38.448   12.983   64.509   9.3248   71.847   13.837 -7.337860 16.68572 
1 1 1   19    6   62 o   43.664   10.560   13.018   7.4029   10.876   9.5343   16.270   11.747   40.141   14.124   47.187   15.702 -7.045635 21.11971 
1 1 1   19    6   63 o   54.547   8.2978   25.350   6.3631   7.4649   10.351   36.217   8.0678   37.066   14.391   72.028   8.2655 -34.96147 16.59566 
1 1 1   19    6   64 o   62.134   7.0595   27.867   5.7651   24.191   8.1403   31.566   8.1660   57.318   10.878   66.950   9.0007 -9.632282 14.11903 
1 1 1   19    6   65 o   83.034   5.8387   48.454   6.5453   53.676   9.3304   43.395   9.1841   87.579   7.8617   78.490   8.6346 9.089905 11.67743 
1 1 1   19    6   66 o  134.661   6.1891  132.436   10.500  115.560   17.852  141.362   12.983  126.719   10.396  142.603   6.7186 -15.88370 12.37813 
1 1 1   19    6   67 o   93.093   5.5959   60.930   7.0544   64.193   10.133   57.861   9.8275   95.548   7.8255   90.638   8.0011 4.909821 11.19177 
1 1 1   19    6   68 o  102.078   7.5496   76.857   10.174   58.319   14.402   95.326   14.375   88.695   11.982  115.461   9.1875 -26.76622 15.09929 
1 1 1   19    6   69 o   67.226   9.4622   35.502   8.4054   26.149   11.982   44.563   11.794   56.656   15.264   77.796   11.187 -21.13957 18.92439 
1 1 1   19    6   70 o   62.141   7.2282   28.485   5.9530   27.290   8.4718   29.650   8.3668   60.267   10.768   64.014   9.6450 -3.747211 14.45630 
1 1 1   19    6   71 o   36.459   8.4474   8.9749   5.3060   15.650   7.5635   2.5059   7.4455   44.786   12.153   28.133   11.737 16.65236 16.89473 
1 1 1   19    6   72 o   25.543   7.7664  -0.1014   5.0035   3.6656   7.1214  -3.7739   7.0315   28.790   11.687   22.296   10.232 6.494303 15.53284 
1 1 1   19    6   73 o   47.228   8.4450   17.520   5.8075   9.0210   8.1341   26.358   8.2944   35.634   12.983   58.821   10.804 -23.18722 16.89007 
1 1 1   19    6   74 o   70.049   7.0255   36.321   6.6485   34.932   9.6454   37.579   9.1769   68.497   10.391   71.600   9.4581 -3.102524 14.05102 
1 1 1   19    6   75 o   86.368   6.3141   54.896   7.3125   47.123   10.454   62.342   10.233   79.795   9.6676   92.941   8.1245 -13.14528 12.62815 
1 1 1   19    6   76 o   41.403   10.981   13.541   8.5874   8.1388   12.173   18.894   12.116   36.536   15.105   46.269   15.942 -9.732426 21.96121 
1 1 1   19    6   77 o   24.315   8.1467  -8.7502   7.3021  -3.9531   9.8887 -14.5026   10.829   25.994   12.003   22.635   11.018 3.358679 16.29333 
1 1 1   19    6   78 o   62.197   16.449   36.510   14.077   0.0000   0.0000   36.510   14.077  ?   ?    62.197   16.449      ?      ? 
1 1 1   19    6   79 o   33.017   14.264   5.5121   11.674   0.0000   0.0000   5.5121   11.674  ?   ?    33.017   14.264      ?      ? 
1 1 1   19    6   80 f   30.964   13.886   2.5771   12.071   0.0000   0.0000   2.5771   12.071  ?   ?    30.964   13.886      ?      ? 
1 1 1   19    7    0 o  683.765   8.1535  3174.90   75.550  3180.79  106.886  3169.02  106.802  684.400   11.525  683.131   11.537 1.268982 16.30702 
1 1 1   19    7    1 o  439.527   5.8731  1308.63   34.956  1369.59   50.536  1252.71   48.404  449.327   8.2996  429.728   8.3120 19.59961 11.74619 
1 1 1   19    7    2 o  341.459   5.0925  789.196   23.539  839.262   34.101  743.629   32.534  351.785   7.1534  331.133   7.2502 20.65298 10.18507 
1 1 1   19    7    3 o  234.453   5.7299  375.349   16.551  366.952   30.459  378.868   19.716  232.522   9.6666  236.385   6.1548 -3.863098 11.45972 
1 1 1   19    7    4 o  137.475   7.4489  128.926   13.675  102.095   19.038  157.526   19.655  122.602   11.459  152.348   9.5205 -29.74532 14.89790 
1 1 1   19    7    5 o  542.826   13.962  2003.95  102.702   0.0000   0.0000  2003.95  102.702  ?   ?   542.826   13.962      ?      ? 
1 1 1   19    7    7 o  331.897   11.031  748.235   49.615   0.0000   0.0000  748.235   49.615  ?   ?   331.897   11.031      ?      ? 
1 1 1   19    7    8 f  496.821   13.182  1678.62   88.752   0.0000   0.0000  1678.62   88.752  ?   ?   496.821   13.182      ?      ? 
1 1 1   19    7    9 o  293.432   10.276  584.763   40.863   0.0000   0.0000  584.763   40.863  ?   ?   293.432   10.276      ?      ? 
1 1 1   19    7   10 o  288.872   10.212  566.768   39.975   0.0000   0.0000  566.768   39.975  ?   ?   288.872   10.212      ?      ? 
1 1 1   19    7   11 o  316.898   7.3823  681.634   31.683  716.651   45.488  648.641   44.154  324.804   10.335  308.992   10.545 15.81229 14.76466 
1 1 1   19    7   12 o  291.725   7.0559  575.503   27.828  539.969   37.814  617.482   41.100  281.952   9.8969  301.499   10.059 -19.54666 14.11174 
1 1 1   19    7   13 o  296.879   7.0601  597.744   28.373  578.087   39.024  619.787   41.325  291.719   9.8715  302.040   10.096 -10.32056 14.12029 
1 1 1   19    7   14 o  191.575   6.6464  250.540   17.085  293.316   24.313  208.807   24.014  207.849   8.6318  175.302   10.109 32.54683 13.29271 
1 1 1   19    7   15 o  368.429   7.7451  923.178   38.652  933.699   54.062  912.175   55.285  370.598   10.765  366.259   11.139 4.339508 15.49028 
1 1 1   19    7   16 o  327.470   7.3359  728.289   32.515  716.071   44.740  741.965   47.336  324.582   10.172  330.358   10.574 -5.775299 14.67186 
1 1 1   19    7   17 o  302.865   7.1383  624.132   29.251  664.850   41.389  583.499   41.346  312.775   9.7650  292.955   10.415 19.82007 14.27663 
1 1 1   19    7   18 o  292.600   7.0234  581.392   27.807  571.635   38.161  592.439   40.604  290.006   9.7101  295.194   10.150 -5.187531 14.04683 
1 1 1   19    7   19 o  247.762   6.6987  416.839   22.439  411.772   30.625  422.713   32.972  246.161   9.1807  249.363   9.7574 -3.201828 13.39745 
1 1 1   19    7   20 o  392.353   7.9803  1048.34   42.410  1077.90   59.711  1018.25   60.248  397.970   11.072  386.736   11.496 11.23465 15.96063 
1 1 1   19    7   21 o  312.519   7.1900  662.911   30.391  642.630   41.466  686.448   44.671  307.391   9.9545  317.646   10.378 -10.25549 14.38007 
1 1 1   19    7   22 f  180.782   8.7109  222.107   21.340  222.107   21.340   0.0000   0.0000  180.782   8.7109  ?   ?       ?      ? 
1 1 1   19    7   23 o  256.921   9.2553  448.829   32.223  448.829   32.223   0.0000   0.0000  256.921   9.2553  ?   ?       ?      ? 
1 1 1   19    7   24 o  353.639   10.483  851.373   50.235  851.373   50.235   0.0000   0.0000  353.639   10.483  ?   ?       ?      ? 
1 1 1   19    7   25 o  298.183   4.7461  603.796   19.163  634.401   27.211  573.683   26.991  305.694   6.5687  290.672   6.8523 15.02142 9.492217 
1 1 1   19    7   26 o  158.971   4.0572  171.843   8.7224  181.206   12.200  162.053   12.475  163.419   5.5089  154.523   5.9577 8.896149 8.114345 
1 1 1   19    7   27 o  182.353   4.1343  225.408   10.207  219.532   14.077  231.922   14.822  179.854   5.7759  184.852   5.9168 -4.998322 8.268582 
1 1 1   19    7   28 o  233.364   4.3408  369.878   13.719  375.827   19.166  363.627   19.645  235.299   6.0108  231.430   6.2641 3.869003 8.681546 
1 1 1   19    7   29 o  349.763   5.1304  830.079   24.289  887.482   35.004  776.772   33.732  361.423   7.1470  338.102   7.3623 23.32162 10.26072 
1 1 1   19    7   30 o  272.908   4.5932  506.076   16.977  523.226   23.933  488.705   24.086  277.577   6.3626  268.238   6.6261 9.338379 9.186329 
1 1 1   19    7   31 o  293.576   6.0334  579.214   21.846  569.287   25.878  603.836   40.756  289.498   6.5963  297.654   10.104 -8.155182 12.06671 
1 1 1   19    7   32 o  136.366   5.6850  121.232   9.0917  116.345   10.400  137.071   18.724  130.903   5.8627  141.829   9.7420 -10.92543 11.37009 
1 1 1   19    7   33 o  371.729   5.3487  933.838   26.844  1052.78   39.617  832.878   36.500  393.501   7.4294  349.956   7.6966 43.54507 10.69736 
1 1 1   19    7   34 o  213.235   4.3301  306.753   12.470  278.951   16.871  340.236   18.514  202.655   6.1432  223.815   6.1041 -21.16054 8.660246 
1 1 1   19    7   35 o  172.618   4.2463  203.167   9.8733  228.951   13.972  177.452   13.954  183.626   5.6150  161.611   6.3714 22.01462 8.492500 
1 1 1   19    7   36 o  294.819   5.9466  599.088   22.511  568.614   38.048  615.500   27.922  288.735   9.7241  300.903   6.8477 -12.16772 11.89325 
1 1 1   19    7   37 o   94.202   5.8124   58.840   7.0266   65.301   12.342   55.741   8.5469   97.863   9.3065   90.541   6.9660 7.322395 11.62483 
1 1 1   19    7   38 o  231.028   4.4343  362.983   13.872  372.399   19.416  353.164   19.827  234.108   6.1203  227.949   6.4184 6.158401 8.868678 
1 1 1   19    7   39 o  280.151   5.6854  535.949   20.680  529.263   34.495  539.699   25.837  278.578   9.1376  281.724   6.7676 -3.145569 11.37087 
1 1 1   19    7   40 o  142.714   5.1824  137.280   9.7303  144.034   15.955  133.281   12.278  145.414   8.0967  140.014   6.4709 5.399399 10.36481 
1 1 1   19    7   41 o  272.489   5.6162  495.995   19.765  537.636   34.083  474.896   24.261  280.744   8.9588  264.234   6.7755 16.51041 11.23242 
1 1 1   19    7   42 o  151.318   4.3656  155.567   8.9441  153.615   12.359  157.713   12.960  150.330   6.0669  152.305   6.2790 -1.975098 8.731194 
1 1 1   19    7   43 o  134.101   4.4623  122.504   8.0923  126.675   11.216  117.976   11.687  136.504   6.0633  131.698   6.5485 4.806412 8.924508 
1 1 1   19    7   44 o  235.713   4.5363  377.125   14.472  362.108   19.866  394.103   21.124  230.733   6.3537  240.693   6.4763 -9.960037 9.072549 
1 1 1   19    7   45 o  189.772   4.4553  245.553   11.419  268.538   16.139  222.513   16.158  198.721   5.9931  180.823   6.5942 17.89807 8.910671 
1 1 1   19    7   46 o  191.556   4.4719  249.178   11.592  240.392   15.894  259.164   16.944  187.967   6.2400  195.146   6.4073 -7.179047 8.943716 
1 1 1   19    7   47 o  211.979   6.2751  305.839   18.026  305.839   18.026   0.0000   0.0000  211.979   6.2751  ?   ?       ?      ? 
1 1 1   19    7   48 o  116.069   6.6491   91.781   10.458   91.781   10.458   0.0000   0.0000  116.069   6.6491  ?   ?       ?      ? 
1 1 1   19    7   49 o  200.469   4.5054  272.472   12.208  248.527   16.656  300.263   17.944  190.988   6.4356  209.951   6.3070 -18.96275 9.010806 
1 1 1   19    7   50 o  137.667   4.6012  129.103   8.5790  126.106   11.890  132.357   12.390  136.009   6.4513  139.325   6.5624 -3.315613 9.202363 
1 1 1   19    7   51 o  127.077   4.6442  110.291   7.9891  114.397   11.197  106.033   11.402  129.514   6.3798  124.641   6.7507 4.873245 9.288393 
1 1 1   19    7   52 o  117.217   5.7675   92.068   8.7341  101.154   15.086   87.487   10.712  121.288   9.1786  113.146   6.9862 8.142700 11.53493 
1 1 1   19    7   53 o   83.615   6.6154   46.987   7.2021   52.420   12.256   44.121   8.9010   87.054   10.389   80.177   8.1924 6.877426 13.23083 
1 1 1   19    7   54 o  126.416   4.7719  109.632   8.1492  118.121   11.435  100.872   11.617  131.460   6.4188  121.372   7.0628 10.08813 9.543838 
1 1 1   19    7   55 o  171.437   4.5465  201.055   10.558  200.703   14.713  201.429   15.159  171.305   6.3381  171.568   6.5200 -0.2633057 9.092936 
1 1 1   19    7   56 o   50.640   7.6065   18.030   5.1764   13.148   7.0129   23.873   7.6726   42.622   11.759   58.658   9.6523 -16.03589 15.21307 
1 1 1   19    7   57 o   75.130   5.7803   38.794   5.8365   32.369   7.9837   46.170   8.5539   68.401   8.6131   81.859   7.7110 -13.45872 11.56050 
1 1 1   19    7   58 o  111.727   4.9576   86.004   7.4764   95.553   10.647   76.715   10.501  117.937   6.6621  105.518   7.3436 12.41833 9.915241 
1 1 1   19    7   59 o  110.049   5.8601   80.947   8.4189   95.385   14.361   73.387   10.392  117.006   9.0573  103.093   7.4384 13.91238 11.72028 
1 1 1   19    7   60 f  151.348   4.6908  157.817   9.6190  159.201   13.513  156.396   13.696  152.049   6.5581  150.648   6.7087 1.401535 9.381683 
1 1 1   19    7   61 o  108.374   5.0645   81.535   7.4128   86.551   10.307   76.160   10.669  111.952   6.7940  104.797   7.5125 7.154655 10.12893 
1 1 1   19    7   62 o   57.140   7.4002   24.242   5.4825   28.946   7.4583   18.713   8.0866   64.295   8.5602   49.986   12.074 14.30920 14.80048 
1 1 1   19    7   63 o   53.780   9.9200   18.889   6.4605   15.373   7.3619   30.666   13.475   45.243   11.862   62.317   15.903 -17.07398 19.84005 
1 1 1   19    7   64 o   94.080   6.4338   63.496   7.8058   65.654   9.7718   59.691   12.976   96.992   7.4346   91.169   10.503 5.822548 12.86769 
1 1 1   19    7   65 o   80.260   6.6981   44.282   6.9778   40.480   8.5619   51.802   12.041   75.767   8.3389   84.752   10.484 -8.985779 13.39626 
1 1 1   19    7   66 o   62.379   6.9320   28.455   5.6568   29.896   7.6026   26.668   8.4670   64.925   8.6410   59.833   10.842 5.092007 13.86403 
1 1 1   19    7   67 o   28.804   8.7699   0.8946   5.8857   2.5532   10.154   0.0553   7.2230   31.849   13.520   25.758   11.174 6.090643 17.53971 
1 1 1   19    7   68 o   48.249   9.8643   18.495   6.6303   17.748   11.430   18.873   8.1398   47.143   15.479   49.355   12.232 -2.211964 19.72864 
1 1 1   19    7   69 o   48.694   8.4614   18.256   5.5769   15.020   7.6553   21.916   8.1409   43.933   12.346   53.455   11.574 -9.521915 16.92282 
1 1 1   19    7   70 o   90.611   5.7340   58.311   6.9914   49.613   9.6383   67.971   10.157   83.254   8.5431   97.967   7.6506 -14.71262 11.46802 
1 1 1   19    7   71 o   39.687   9.4399   11.065   6.0234   17.222   9.6454   7.1279   7.7121   46.148   14.112   33.227   12.541 12.92073 18.87973 
1 1 1   19    7   72 o   54.330   9.3555   23.266   8.0444   7.0339   11.275   40.096   11.481   35.872   14.650   72.789   11.639 -36.91703 18.71096 
1 1 1   19    7   73 o   64.712   9.2174   36.721   7.5001   22.940   12.577   44.327   9.3434   51.305   16.185   78.120   8.8260 -26.81450 18.43472 
1 1 1   19    7   74 o   39.680   15.410   11.716   11.871   0.0000   0.0000   11.716   11.871  ?   ?    39.680   15.410      ?      ? 
1 1 1   19    7   75 o   48.240   15.994   20.840   12.192   0.0000   0.0000   20.840   12.192  ?   ?    48.240   15.994      ?      ? 
1 1 1   19    7   76 o   48.907   16.699   22.489   13.286   0.0000   0.0000   22.489   13.286  ?   ?    48.907   16.699      ?      ? 
1 1 1   19    7   77 o   48.297   16.895   22.776   13.633   0.0000   0.0000   22.776   13.633  ?   ?    48.297   16.895      ?      ? 
1 1 1   19    8    0 o  539.394   6.7831  1975.18   49.580  1967.04   69.908  1983.42   70.329  538.277   9.5837  540.511   9.6016 -2.234131 13.56612 
1 1 1   19    8    1 o  419.444   8.0763  1193.76   45.906  1193.76   45.906   0.0000   0.0000  419.444   8.0763  ?   ?       ?      ? 
1 1 1   19    8    2 o  484.298   6.2756  1591.97   41.186  1589.58   58.071  1594.39   58.421  483.934   8.8550  484.661   8.8951 -0.7270813 12.55126 
1 1 1   19    8    3 o  293.232   4.7653  583.110   18.931  602.387   26.955  564.348   26.593  298.016   6.6745  288.448   6.8031 9.568695 9.530542 
1 1 1   19    8    4 o  500.495   9.3643  1703.28   63.488  1670.71   88.290  1738.16   91.359  495.558   13.147  505.431   13.339 -9.873535 18.72870 
1 1 1   19    8    5 o  378.167   8.0005  972.002   40.990  972.346   57.329  971.643   58.630  378.249   11.184  378.086   11.443 0.1634521 16.00108 
1 1 1   19    8    6 o  198.601   6.8907  267.444   18.517  260.378   25.373  275.495   27.084  195.808   9.5623  201.394   9.9241 -5.585907 13.78130 
1 1 1   19    8    7 o  265.732   7.0559  478.442   25.368  458.497   34.695  501.352   37.185  259.805   9.8547  271.659   10.101 -11.85352 14.11176 
1 1 1   19    8    8 o  217.281   6.8974  321.161   20.275  331.021   28.157  310.545   29.219  220.768   9.4117  213.794   10.085 6.974503 13.79475 
1 1 1   19    8    9 o  309.560   7.4566  649.654   31.227  704.695   45.341  599.988   43.070  322.015   10.391  297.104   10.698 24.91150 14.91313 
1 1 1   19    8   11 o  484.457   12.822  1598.04   84.174  1598.04   84.174   0.0000   0.0000  484.457   12.822  ?   ?       ?      ? 
1 1 1   19    8   12 o  330.721   7.4802  742.926   33.494  727.294   46.209  760.231   48.617  327.076   10.425  334.367   10.730 -7.290924 14.96041 
1 1 1   19    8   13 o  317.746   7.3867  686.761   31.766  730.596   45.140  643.752   44.712  327.825   10.161  307.667   10.724 20.15805 14.77340 
1 1 1   19    8   14 o  300.293   9.9974  613.046   40.683  613.046   40.683   0.0000   0.0000  300.293   9.9974  ?   ?       ?      ? 
1 1 1   19    8   15 o  296.717   9.9205  598.580   39.890  598.580   39.890   0.0000   0.0000  296.717   9.9205  ?   ?       ?      ? 
1 1 1   19    8   16 o  221.604   9.2100  333.764   27.658  333.764   27.658   0.0000   0.0000  221.604   9.2100  ?   ?       ?      ? 
1 1 1   19    8   17 o  143.323   8.9049  139.597   17.295  139.597   17.295   0.0000   0.0000  143.323   8.9049  ?   ?       ?      ? 
1 1 1   19    8   18 o  264.182   6.8591  474.127   24.500  467.565   33.430  481.740   36.008  262.238   9.4072  266.126   9.9847 -3.887360 13.71820 
1 1 1   19    8   19 o  278.829   6.9539  529.846   26.223  551.390   36.458  506.755   37.744  284.754   9.4480  272.903   10.206 11.85056 13.90786 
1 1 1   19    8   20 o  213.875   6.6099  312.248   19.072  326.996   26.171  295.546   27.850  219.325   8.8055  208.425   9.8603 10.89987 13.21979 
1 1 1   19    8   21 o  243.827   6.7254  400.714   22.098  370.767   29.412  439.528   33.485  233.484   9.2958  254.169   9.7217 -20.68524 13.45077 
1 1 1   19    8   22 o  183.525   6.5403  226.716   16.159  209.246   21.407  249.857   24.637  175.410   9.0056  191.639   9.4868 -16.22922 13.08056 
1 1 1   19    8   23 o  147.156   6.6842  148.633   13.209  161.761   18.076  133.590   19.350  154.240   8.6483  140.071   10.194 14.16858 13.36838 
1 1 1   19    8   24 o  253.402   6.7767  438.044   23.211  469.374   32.604  405.850   33.050  262.659   9.1600  244.145   9.9895 18.51428 13.55345 
1 1 1   19    8   25 o  262.565   6.8301  466.695   24.210  440.686   32.550  498.894   36.218  254.452   9.4399  270.678   9.8738 -16.22603 13.66030 
1 1 1   19    8   26 o  286.144   7.0061  558.153   27.123  567.422   37.496  547.981   39.282  288.685   9.5848  283.602   10.221 5.082733 14.01212 
1 1 1   19    8   27 o  131.049   5.8355  116.246   8.6956  115.784   9.8892  117.821   18.258  130.610   5.5873  131.488   10.247 -0.8781433 11.67104 
1 1 1   19    8   28 o  201.009   4.2164  274.676   11.470  286.651   16.079  262.268   16.367  205.489   5.7743  196.530   6.1457 8.958618 8.432791 
1 1 1   19    8   29 o  263.075   4.5327  467.450   16.114  431.762   21.848  510.023   23.862  252.127   6.3944  274.023   6.4260 -21.89590 9.065464 
1 1 1   19    8   30 o  375.695   5.3758  952.041   27.243  1087.49   40.490  840.002   36.825  399.938   7.4708  351.452   7.7319 48.48550 10.75158 
1 1 1   19    8   31 o  324.376   4.9526  715.287   21.765  721.648   30.534  708.716   31.033  325.855   6.9148  322.897   7.0921 2.958344 9.905202 
1 1 1   19    8   32 o  244.069   4.4567  404.974   14.724  427.047   20.828  382.923   20.818  250.739   6.1298  237.398   6.4710 13.34045 8.913335 
1 1 1   19    8   33 o  211.581   5.6044  294.847   14.320  283.757   16.656  326.284   28.043  204.389   6.0135  218.772   9.4591 -14.38229 11.20878 
1 1 1   19    8   34 o  179.208   5.8023  223.698   12.423  229.714   14.589  207.827   23.696  183.903   5.8542  174.513   10.020 9.389664 11.60463 
1 1 1   19    8   35 o  130.597   7.6246  116.059   13.494  116.059   13.494   0.0000   0.0000  130.597   7.6246  ?   ?       ?      ? 
1 1 1   19    8   36 o  221.978   5.3067  341.854   15.394  308.485   24.645  363.200   19.712  212.781   8.5470  231.175   6.2922 -18.39386 10.61334 
1 1 1   19    8   37 o  281.053   4.7564  535.472   18.044  606.172   26.262  472.245   24.835  298.608   6.4900  263.500   6.9551 35.10806 9.512798 
1 1 1   19    8   38 o  166.043   5.5039  190.355   11.623  179.955   20.002  195.657   14.282  162.423   9.0876  169.663   6.2119 -7.240799 11.00785 
1 1 1   19    8   39 o  303.497   4.9082  624.319   20.115  703.037   29.355  554.637   27.619  321.501   6.7378  285.493   7.1389 36.00775 9.816430 
1 1 1   19    8   40 o  196.489   4.4304  258.215   11.680  214.640   15.520  315.146   17.739  177.661   6.4462  215.317   6.0796 -37.65643 8.860888 
1 1 1   19    8   41 o  168.739   4.4245  194.687   9.9906  233.128   14.271  157.741   13.991  185.218   5.6858  152.261   6.7806 32.95662 8.849018 
1 1 1   19    8   42 o  182.961   4.4064  226.572   10.894  213.785   14.741  241.962   16.172  177.310   6.1348  188.611   6.3271 -11.30150 8.812897 
1 1 1   19    8   43 o  236.244   5.3875  382.254   16.417  386.646   20.377  374.133   27.712  238.403   6.3075  234.085   8.7359 4.318192 10.77501 
1 1 1   19    8   44 o  271.293   5.6546  508.027   19.766  522.154   24.617  482.389   33.162  276.966   6.5587  265.619   9.2131 11.34644 11.30917 
1 1 1   19    8   45 o  117.624   4.6838   94.636   7.4316  100.832   10.268   87.819   10.770  121.721   6.2249  113.529   7.0002 8.192154 9.367677 
1 1 1   19    8   46 o  215.029   4.5127  315.378   13.124  336.112   18.482  294.292   18.638  222.210   6.1377  207.849   6.6172 14.36093 9.025453 
1 1 1   19    8   47 o  168.661   4.4737  193.421   10.212  187.055   14.024  200.608   14.901  165.723   6.2446  171.598   6.4079 -5.874985 8.947417 
1 1 1   19    8   48 o  235.439   4.6219  377.983   14.691  422.241   21.058  336.022   20.505  248.931   6.2426  221.946   6.8175 26.98491 9.243814 
1 1 1   19    8   49 o  157.632   5.9029  165.291   11.300  159.418   13.198  181.419   21.871  152.898   6.3696  162.367   9.9401 -9.468292 11.80587 
1 1 1   19    8   50 o  112.015   4.7878   85.900   7.2487   91.543   10.150   80.027   10.355  115.817   6.4674  108.213   7.0614 7.604027 9.575510 
1 1 1   19    8   51 o   91.279   5.2783   56.840   6.5134   51.736   8.9384   62.619   9.5109   86.909   7.5895   95.648   7.3377 -8.739044 10.55660 
1 1 1   19    8   52 o  147.195   4.5708  147.990   9.1121  145.681   12.636  150.491   13.152  146.014   6.3862  148.375   6.5411 -2.360382 9.141643 
1 1 1   19    8   53 o  198.209   4.5416  268.485   12.193  262.159   16.926  275.308   17.579  195.796   6.3793  200.622   6.4659 -4.825119 9.083179 
1 1 1   19    8   54 o   62.955   7.9412   25.664   6.3763   38.680   11.081   19.222   7.7962   74.442   10.985   51.468   11.471 22.97372 15.88243 
1 1 1   19    8   55 o   66.092   8.2306   32.228   6.7032   28.144   11.434   34.367   8.2744   61.687   13.998   70.496   8.6614 -8.809082 16.46119 
1 1 1   19    8   56 o   51.431   8.8247   20.731   6.2572   11.911   10.612   25.432   7.7474   42.409   14.902   60.454   9.4569 -18.04464 17.64931 
1 1 1   19    8   57 o   58.036   6.9305   24.087   5.2761   27.006   7.3383   20.963   7.5914   62.356   8.6843   53.716   10.803 8.639370 13.86091 
1 1 1   19    8   58 o  104.275   5.0326   75.026   7.1075   74.759   9.8824   75.313   10.230  104.113   7.0045  104.438   7.2281 -0.3251419 10.06518 
1 1 1   19    8   59 o   66.960   6.3762   31.433   5.7670   32.366   7.9235   30.381   8.4098   68.118   8.5836   65.802   9.4312 2.316757 12.75249 
1 1 1   19    8   60 o  100.583   5.1707   69.927   7.0326   63.939   9.6702   76.650   10.246   95.988   7.4342  105.178   7.1887 -9.189873 10.34139 
1 1 1   19    8   61 o  107.340   5.9196   79.294   8.2753   75.810   10.270   85.744   13.974  104.469   7.2542  110.210   9.3565 -5.740372 11.83920 
1 1 1   19    8   62 o   31.413   8.4797   5.1409   5.3227   8.7204   6.6034  -1.4986   8.9934   35.220   11.774   27.607   12.206 7.613380 16.95941 
1 1 1   19    8   63 o   56.039   7.6181   23.132   5.5531   21.520   7.4533   25.142   8.3254   53.888   10.584   58.190   10.960 -4.301796 15.23619 
1 1 1   19    8   64 o   94.240   7.1643   60.770   8.0369   57.473   9.2635   70.803   16.162   90.553   7.5491   97.927   12.179 -7.374207 14.32858 
1 1 1   19    8   65 o   59.710   8.9634   19.566   6.6194   11.176   7.5113   48.740   14.006   38.756   12.538   80.663   12.813 -41.90763 17.92682 
1 1 1   19    8   66 o   61.587   6.8464   27.347   5.7060   27.531   7.8863   27.145   8.2660   61.911   9.3999   61.264   9.9565 0.6472244 13.69274 
1 1 1   19    8   67 o   35.577   8.7130   8.8828   5.1724   6.7399   7.1481   11.238   7.4941   32.526   12.114   38.629   12.526 -6.103428 17.42602 
1 1 1   19    8   68 o   81.501   8.5488   47.476   9.4417   0.0000   0.0000   47.476   9.4417  ?   ?    81.501   8.5488      ?      ? 
1 1 1   19    8   69 o   87.757   7.6243   59.457   8.2745   49.271   14.164   64.734   10.195   80.076   13.053   95.439   7.8828 -15.36295 15.24866 
1 1 1   19    8   70 o   28.798   8.9783  -5.1278   7.0740 -13.2657   9.0321   7.7851   11.377   20.887   10.143   36.709   14.817 -15.82217 17.95661 
1 1 1   19    8   71 o   53.833   16.212   25.099   12.799   0.0000   0.0000   25.099   12.799  ?   ?    53.833   16.212      ?      ? 
1 1 1   19    8   72 o   66.897   15.617   38.294   13.900   0.0000   0.0000   38.294   13.900  ?   ?    66.897   15.617      ?      ? 
1 1 1   19    8   73 o   57.778   16.733   30.298   13.855   0.0000   0.0000   30.298   13.855  ?   ?    57.778   16.733      ?      ? 
1 1 1   19    8   74 o   23.655   11.378 -11.5881   10.713   0.0000   0.0000 -11.5881   10.713  ?   ?    23.655   11.378      ?      ? 
1 1 1   19    9    0 o  385.508   6.5331  1015.75   32.679  1032.13   40.891  986.795   54.366  389.971   7.7378  381.044   10.529 8.927185 13.06617 
1 1 1   19    9    1 o  266.217   5.4407  485.109   18.925  497.154   23.954  465.104   30.871  270.713   6.5297  261.720   8.7044 8.993042 10.88131 
1 1 1   19    9    2 o  324.862   5.9180  719.904   24.965  728.614   31.236  704.497   41.541  327.691   7.0340  322.032   9.5191 5.658691 11.83602 
1 1 1   19    9    3 o  194.066   4.8788  254.079   12.447  249.661   15.726  261.489   20.366  191.852   6.0486  196.281   7.6567 -4.428665 9.757656 
1 1 1   19    9    4 o  276.785   5.4896  523.220   19.768  531.745   24.820  508.429   32.692  279.960   6.5423  273.610   8.8171 6.350189 10.97919 
1 1 1   19    9    5 o  210.385   6.1248  298.253   17.149  312.733   27.208  288.710   22.089  214.548   9.3581  206.223   7.9043 8.325485 12.24957 
1 1 1   19    9    6 o  283.702   7.2874  544.911   27.905  523.296   37.537  571.614   41.722  277.468   9.9832  289.935   10.619 -12.46716 14.57480 
1 1 1   19    9    7 o  243.391   6.9724  403.474   22.947  420.292   31.879  385.390   33.058  248.696   9.4593  238.086   10.246 10.60971 13.94487 
1 1 1   19    9    8 o  248.620   6.9709  420.863   23.445  436.366   32.618  404.292   33.722  253.393   9.4990  243.846   10.205 9.546783 13.94171 
1 1 1   19    9    9 o  134.357   7.3202  122.452   13.290  118.901   18.017  126.690   19.682  132.240   10.054  136.474   10.642 -4.233994 14.64043 
1 1 1   19    9   10 o  192.020   6.8517  250.412   17.784  247.252   24.229  254.101   26.184  190.729   9.3743  193.312   9.9953 -2.582397 13.70348 
1 1 1   19    9   11 o  276.516   7.1229  520.362   26.663  529.399   37.077  510.683   38.372  279.031   9.8055  274.001   10.334 5.029785 14.24585 
1 1 1   19    9   12 o  271.986   7.1068  501.509   26.140  478.569   35.599  528.351   38.508  265.273   9.9029  278.698   10.196 -13.42505 14.21366 
1 1 1   19    9   13 o  271.962   7.0999  500.752   26.098  470.512   35.386  536.821   38.646  263.013   9.9282  280.911   10.152 -17.89804 14.19972 
1 1 1   19    9   14 o  224.033   10.116  341.475   30.713   0.0000   0.0000  341.475   30.713  ?   ?   224.033   10.116      ?      ? 
1 1 1   19    9   15 o  395.617   11.452  1066.24   61.397  1066.24   61.397   0.0000   0.0000  395.617   11.452  ?   ?       ?      ? 
1 1 1   19    9   16 o  381.436   8.0258  991.980   41.453  1019.73   58.079  963.159   59.185  386.928   11.076  375.944   11.617 10.98459 16.05153 
1 1 1   19    9   17 o  211.705   6.7928  304.735   19.422  302.753   26.363  307.088   28.722  210.986   9.2204  212.423   9.9777 -1.437225 13.58567 
1 1 1   19    9   18 o  152.395   6.9114  156.744   14.188  146.784   18.860  169.730   21.536  146.884   9.4752  157.907   10.064 -11.02248 13.82272 
1 1 1   19    9   19 o  129.780   7.2426  114.151   12.653  110.287   16.830  119.176   19.191  127.295   9.7562  132.266   10.707 -4.970276 14.48512 
1 1 1   19    9   20 o  260.166   7.0007  462.040   24.615  489.991   34.346  432.522   35.296  268.333   9.4454  251.999   10.336 16.33420 14.00147 
1 1 1   19    9   21 o  408.277   8.2951  1136.42   45.843  1119.94   63.153  1154.79   66.651  405.205   11.501  411.350   11.957 -6.145813 16.59028 
1 1 1   19    9   22 o  355.695   7.7294  863.362   37.224  892.806   52.210  832.920   53.086  361.926   10.645  349.465   11.210 12.46094 15.45877 
1 1 1   19    9   23 o  319.963   7.4022  696.201   32.023  675.682   43.596  720.245   47.192  314.900   10.216  325.027   10.714 -10.12723 14.80431 
1 1 1   19    9   24 o  387.271   8.0523  1019.26   42.147  966.488   57.119  1082.34   62.446  376.359   11.199  398.184   11.573 -21.82529 16.10452 
1 1 1   19    9   25 o  172.339   6.6961  201.007   15.567  189.602   20.845  215.389   23.408  166.870   9.2181  177.808   9.7149 -10.93777 13.39224 
1 1 1   19    9   26 o   76.509   9.3305   41.056   9.2875   42.688   12.228   38.832   14.278   79.065   11.413   73.953   14.764 5.112267 18.66105 
1 1 1   19    9   27 o  203.975   6.6526  283.977   18.343  292.417   25.303  274.629   26.629  207.221   9.0107  200.728   9.7897 6.492264 13.30530 
1 1 1   19    9   28 o  216.942   5.7770  319.548   15.064  318.725   17.613  321.792   29.070  216.636   5.9997  217.248   9.8742 -0.6121521 11.55404 
1 1 1   19    9   29 o  176.823   5.5655  197.305   11.025  186.442   12.326  240.794   24.662  165.715   5.4886  187.931   9.6838 -22.21588 11.13106 
1 1 1   19    9   30 o  154.389   5.6686  160.507   9.8488  159.165   11.142  165.303   21.062  153.115   5.3699  155.662   9.9848 -2.546555 11.33722 
1 1 1   19    9   31 o  117.606   4.2121   93.988   6.7048   94.740   9.2768   93.167   9.7014  118.106   5.7962  117.106   6.1132 1.000282 8.424220 
1 1 1   19    9   32 o  161.052   6.0003  176.211   13.096   0.0000   0.0000  176.211   13.096  ?   ?   161.052   6.0003      ?      ? 
1 1 1   19    9   33 o  236.582   4.4475  380.834   14.223  413.655   20.189  348.492   20.041  246.742   6.0380  226.422   6.5317 20.32004 8.894933 
1 1 1   19    9   34 o  158.986   5.7854  168.799   10.742  165.627   12.322  178.843   21.927  156.140   5.8234  161.833   9.9985 -5.693237 11.57079 
1 1 1   19    9   35 o  190.110   5.7274  234.699   12.951  223.164   14.898  270.388   26.203  181.214   6.0665  199.007   9.7165 -17.79292 11.45482 
1 1 1   19    9   36 o  294.765   4.8615  589.197   19.345  665.953   28.156  520.566   26.624  312.931   6.6395  276.598   7.1030 36.33252 9.722989 
1 1 1   19    9   37 o  199.815   4.3800  270.707   11.842  258.616   16.214  284.532   17.338  195.051   6.1341  204.578   6.2539 -9.526840 8.760016 
1 1 1   19    9   38 o  288.878   5.6357  562.067   20.951  548.185   25.710  589.509   36.147  283.872   6.6833  293.885   9.0763 -10.01251 11.27141 
1 1 1   19    9   39 o   83.283   6.9365   47.407   7.6381   47.466   12.222   47.370   9.7843   83.244   10.834   83.322   8.6653 -0.7792664E-01 13.87307 
1 1 1   19    9   40 o  127.213   5.6128  108.439   9.0935  115.822   16.088  104.973   11.023  130.216   9.1172  124.210   6.5490 6.006142 11.22554 
1 1 1   19    9   41 o  131.006   4.4541  115.959   7.8638  100.163   10.684  134.631   11.616  121.321   6.4987  140.691   6.0928 -19.37062 8.908151 
1 1 1   19    9   42 o  130.203   4.4837  115.593   7.8956  120.722   10.999  110.141   11.341  133.210   6.0931  127.196   6.5794 6.014343 8.967422 
1 1 1   19    9   43 o  154.994   4.4410  162.423   9.2883  143.522   12.612  184.822   13.730  145.193   6.4102  164.795   6.1481 -19.60248 8.881996 
1 1 1   19    9   44 o   78.669   5.3854   42.223   5.7359   39.768   8.0285   44.783   8.1978   76.323   7.7623   81.016   7.4670 -4.692490 10.77078 
1 1 1   19    9   45 o  254.099   4.6902  439.760   16.104  486.750   23.158  395.762   22.409  267.286   6.3936  240.912   6.8640 26.37437 9.380419 
1 1 1   19    9   46 o  160.110   4.4717  174.554   9.6932  171.120   13.371  178.357   14.072  158.467   6.2266  161.754   6.4198 -3.287064 8.943384 
1 1 1   19    9   47 o  104.193   4.9650   74.824   6.8263   96.887   9.8449   54.394   9.4735  119.225   6.0934   89.161   7.8407 30.06486 9.930058 
1 1 1   19    9   48 o  127.944   4.6155  111.937   7.9876  118.118   11.198  105.536   11.396  131.581   6.2803  124.307   6.7653 7.273453 9.231026 
1 1 1   19    9   49 o   86.578   5.3223   51.949   6.1376   62.525   8.6506   41.229   8.7094   95.657   6.6734   77.500   8.2929 18.15741 10.64457 
1 1 1   19    9   50 o   82.249   7.6291   45.206   7.2965   43.623   8.3301   50.423   15.123   79.747   7.7082   84.750   13.168 -5.003143 15.25821 
1 1 1   19    9   51 o  120.694   5.6952  100.364   8.9602   99.383   14.808  100.931   11.254  119.983   9.1073  121.405   6.8407 -1.422112 11.39031 
1 1 1   19    9   52 o  126.551   5.7499  111.759   9.4061  105.197   15.615  115.496   11.784  123.266   9.3482  129.835   6.6974 -6.568634 11.49973 
1 1 1   19    9   53 o   95.874   5.1858   63.324   6.7197   65.433   9.2751   60.995   9.7488   97.616   7.0115   94.131   7.6425 3.485832 10.37158 
1 1 1   19    9   54 o  118.829   4.7399   96.674   7.6209   91.437   10.437  102.654   11.154  115.399   6.6742  122.259   6.7321 -6.859337 9.479759 
1 1 1   19    9   55 o   89.585   6.4006   53.641   7.4876   64.113   12.787   48.177   9.2369   95.758   9.8537   83.412   8.1717 12.34594 12.80127 
1 1 1   19    9   56 o  104.560   5.1170   75.506   7.2378   81.162   10.298   69.985   10.175  108.492   7.0045  100.628   7.4614 7.864799 10.23402 
1 1 1   19    9   57 o   77.214   6.6683   39.753   6.7718   33.672   8.4240   50.860   11.385   69.408   8.9563   85.020   9.8817 -15.61214 13.33652 
1 1 1   19    9   58 o   71.670   7.0704   36.505   6.6267   37.149   8.3994   35.444   10.784   72.921   8.4999   70.419   11.301 2.501907 14.14088 
1 1 1   19    9   59 o   55.608   7.6481   22.552   5.6093   15.846   7.7304   30.008   8.1518   45.953   12.207   65.262   9.2174 -19.30874 15.29613 
1 1 1   19    9   60 o   82.236   5.6488   46.810   6.2013   36.691   8.3537   59.232   9.2552   72.257   8.5313   92.215   7.4063 -19.95792 11.29761 
1 1 1   19    9   61 o   64.542   6.9726   29.805   5.7138   19.691   7.6513   42.557   8.5911   51.246   11.320   77.839   8.1446 -26.59261 13.94525 
1 1 1   19    9   62 f   30.272   8.2019   4.7003   4.8988   7.7802   6.6414   1.0248   7.2552   33.755   11.793   26.790   11.402 6.964994 16.40374 
1 1 1   19    9   63 o   29.839   8.2803   4.5472   4.8824   5.1924   6.5177   3.7221   7.3701   30.155   11.494   29.524   11.923 0.6317940 16.56058 
1 1 1   19    9   64 o   73.494   6.2644   38.986   6.1464   42.728   8.3139   34.474   9.1276   77.813   7.8843   69.175   9.7370 8.638695 12.52884 
1 1 1   19    9   65 o   26.657   8.0422   1.0499   5.1491   2.4780   6.8829  -0.7651   7.7597   27.433   11.351   25.881   11.396 1.552725 16.08432 
1 1 1   19    9   66 o   37.244   9.7129   9.4140   6.1273   9.3036   7.3317   9.6698   11.158   35.887   12.399   38.601   14.954 -2.714012 19.42574 
1 1 1   19    9   67 o   27.323   8.7479  -2.8953   6.8916  -2.8046   9.0917  -3.0179   10.566   26.356   11.915   28.291   12.812 -1.935085 17.49582 
1 1 1   19    9   68 o   36.795   14.925   7.5962   11.604   0.0000   0.0000   7.5962   11.604  ?   ?    36.795   14.925      ?      ? 
1 1 1   19    9   69 o   28.266   12.871  -3.3361   10.848   0.0000   0.0000  -3.3361   10.848  ?   ?    28.266   12.871      ?      ? 
1 1 1   19    9   70 o   37.630   14.902   9.3329   11.288   0.0000   0.0000   9.3329   11.288  ?   ?    37.630   14.902      ?      ? 
1 1 1   19    9   71 o   30.640   13.589   0.4373   11.229   0.0000   0.0000   0.4373   11.229  ?   ?    30.640   13.589      ?      ? 
1 1 1   19   10    0 o  317.237   5.0205  683.141   21.582  686.714   30.403  679.512   30.641  318.077   7.0534  316.398   7.1463 1.679474 10.04090 
1 1 1   19   10    1 o  191.310   5.7011  245.741   13.581  255.700   24.916  241.531   16.199  193.952   9.4798  188.669   6.3359 5.283493 11.40217 
1 1 1   19   10    2 o  321.443   5.0245  700.789   21.875  683.758   30.336  719.236   31.573  317.383   7.0533  325.504   7.1578 -8.120911 10.04906 
1 1 1   19   10    3 o  207.400   4.4211  291.738   12.420  287.491   17.267  296.292   17.880  205.839   6.1901  208.960   6.3141 -3.121277 8.842246 
1 1 1   19   10    4 o  130.150   4.4148  114.661   7.7766  109.119   10.680  120.915   11.345  126.812   6.2149  133.488   6.2719 -6.676636 8.829595 
1 1 1   19   10    5 o  179.810   5.9595  215.840   12.578  212.122   14.468  227.352   25.457  176.812   6.0382  182.808   10.276 -5.995102 11.91894 
1 1 1   19   10    6 o  294.243   7.3020  588.275   29.075  574.693   39.901  603.652   42.455  290.650   10.130  297.836   10.519 -7.186218 14.60392 
1 1 1   19   10    7 o  259.849   6.0620  458.630   19.124  458.356   22.505  459.343   36.277  259.879   6.3903  259.819   10.303 0.5938721E-01 12.12406 
1 1 1   19   10    8 o  355.013   6.6863  854.201   29.382  850.011   34.995  864.210   54.089  353.804   7.2989  356.222   11.205 -2.417633 13.37252 
1 1 1   19   10    9 o  286.160   7.2665  557.979   28.140  587.097   39.598  528.270   39.997  293.752   9.9474  278.569   10.595 15.18283 14.53306 
1 1 1   19   10   10 o  304.366   7.3649  630.862   30.343  636.297   42.037  624.949   43.843  305.771   10.145  302.961   10.679 2.810883 14.72970 
1 1 1   19   10   11 o  243.996   6.9668  405.559   22.999  414.610   31.861  395.711   33.233  246.876   9.5236  241.116   10.171 5.759598 13.93369 
1 1 1   19   10   12 o  229.009   6.8959  357.234   21.368  364.443   29.600  349.387   30.879  231.455   9.4372  226.562   10.058 4.893036 13.79188 
1 1 1   19   10   13 o  164.598   6.9740  184.066   15.525  179.392   21.196  189.476   22.804  162.365   9.6335  166.832   10.087 -4.466537 13.94808 
1 1 1   19   10   14 o  317.936   7.4543  687.029   32.058  665.113   43.778  712.369   47.074  312.514   10.337  323.359   10.743 -10.84583 14.90862 
1 1 1   19   10   15 o  230.768   6.9148  362.238   21.560  358.927   29.324  366.134   31.810  229.660   9.4221  231.876   10.123 -2.216644 13.82953 
1 1 1   19   10   16 o  123.542   7.5343  105.168   12.437  112.741   16.652   95.616   18.702  128.697   9.5483  118.387   11.657 10.30951 15.06850 
1 1 1   19   10   17 o  199.620   6.9154  271.029   18.626  268.115   25.132  274.581   27.742  198.474   9.3443  200.766   10.197 -2.292664 13.83071 
1 1 1   19   10   18 o  196.535   10.150  263.158   27.034   0.0000   0.0000  263.158   27.034  ?   ?   196.535   10.150      ?      ? 
1 1 1   19   10   20 o  258.831   9.6471  456.319   33.837  456.319   33.837   0.0000   0.0000  258.831   9.6471  ?   ?       ?      ? 
1 1 1   19   10   21 o  204.914   6.9724  284.932   19.293  272.783   26.011  299.792   28.766  200.110   9.5918  209.719   10.122 -9.609070 13.94471 
1 1 1   19   10   22 o   74.102   15.884   39.173   15.471   0.0000   0.0000   39.173   15.471  ?   ?    74.102   15.884      ?      ? 
1 1 1   19   10   23 o  306.274   10.843  640.224   45.005   0.0000   0.0000  640.224   45.005  ?   ?   306.274   10.843      ?      ? 
1 1 1   19   10   24 o  279.802   10.602  534.277   40.200   0.0000   0.0000  534.277   40.200  ?   ?   279.802   10.602      ?      ? 
1 1 1   19   10   25 o  408.857   8.3600  1141.88   46.258  1120.88   63.560  1165.53   67.449  404.940   11.583  412.774   12.058 -7.834229 16.72004 
1 1 1   19   10   26 o  199.214   6.8707  270.641   18.466  270.767   24.970  270.488   27.432  199.326   9.2442  199.103   10.167 0.2233429 13.74148 
1 1 1   19   10   27 o  179.855   6.8645  218.912   16.638  205.315   22.156  236.495   25.195  173.535   9.4213  186.176   9.9863 -12.64030 13.72909 
1 1 1   19   10   28 o  256.707   6.0578  445.746   18.723  442.091   21.885  455.724   36.164  255.065   6.3316  258.349   10.330 -3.283768 12.11566 
1 1 1   19   10   29 o  192.564   6.1237  268.291   13.669  285.283   15.978  221.902   26.400  204.940   5.7533  180.187   10.812 24.75357 12.24731 
1 1 1   19   10   30 o  245.985   5.6102  388.782   14.578  375.864   16.046  449.827   34.882  235.298   5.0324  256.672   10.029 -21.37431 11.22037 
1 1 1   19   10   31 o  146.669   5.7582  139.645   8.3314  136.646   9.0317  156.770   21.580  141.887   4.6972  151.450   10.515 -9.562302 11.51636 
1 1 1   19   10   32 o  144.045   4.8115  140.853   9.3922  140.853   9.3922   0.0000   0.0000  144.045   4.8115  ?   ?       ?      ? 
1 1 1   19   10   33 o  314.023   5.6043  669.909   23.849  669.909   23.849   0.0000   0.0000  314.023   5.6043  ?   ?       ?      ? 
1 1 1   19   10   34 o  173.845   5.9709  205.405   14.066  205.405   14.066   0.0000   0.0000  173.845   5.9709  ?   ?       ?      ? 
1 1 1   19   10   35 o  118.297   6.2833   90.982   8.5634   87.201   9.7128  104.182   18.147  113.242   6.3293  123.352   10.856 -10.11005 12.56669 
1 1 1   19   10   36 o  155.044   6.0977  166.611   11.069  169.298   12.825  158.769   21.913  157.807   5.9974  152.281   10.619 5.525864 12.19543 
1 1 1   19   10   37 o  238.885   4.5346  385.907   14.636  352.696   19.856  425.414   21.657  227.695   6.4352  250.075   6.3906 -22.38066 9.069262 
1 1 1   19   10   38 o   66.400   5.9125   30.432   5.1844   22.332   7.2352   38.978   7.4324   57.157   9.3412   75.644   7.2506 -18.48702 11.82491 
1 1 1   19   10   39 f  168.463   4.4159  193.441   9.9865  228.782   14.369  160.422   13.889  183.423   5.7808  153.502   6.6770 29.92087 8.831749 
1 1 1   19   10   40 f  172.859   5.5650  207.885   12.196  192.208   20.978  215.889   14.990  167.611   9.2361  178.108   6.2104 -10.49709 11.12991 
1 1 1   19   10   41 o   39.369   9.3308   9.5749   5.4350   11.728   10.193   8.7197   6.4243   42.716   14.627   36.023   11.589 6.693626 18.66163 
1 1 1   19   10   42 o   95.229   4.8958   61.787   6.3095   57.483   8.8011   66.339   9.0501   91.806   7.0743   98.651   6.7697 -6.845482 9.791545 
1 1 1   19   10   43 o  110.532   4.6580   83.228   6.9732   79.501   9.7269   87.168   10.002  107.982   6.6472  113.082   6.5270 -5.099968 9.315973 
1 1 1   19   10   44 o   61.486   6.1952   25.953   5.1489   23.786   7.2662   28.139   7.2971   58.875   9.1073   64.096   8.4010 -5.221462 12.39037 
1 1 1   19   10   45 o  110.617   4.8091   84.110   7.1425   96.580   10.062   71.446   10.140  119.004   6.2395  102.230   7.3196 16.77331 9.618126 
1 1 1   19   10   46 o   47.099   7.8536   15.977   4.9241   15.679   7.2072   16.238   6.7434   46.647   11.479   47.551   10.721 -0.9048843 15.70721 
1 1 1   19   10   47 o   94.779   6.2426   64.123   7.4280   55.171   12.719   68.757   9.1506   89.269   10.514  100.288   6.7332 -11.01936 12.48511 
1 1 1   19   10   48 o   83.221   6.7529   48.997   7.0436   44.657   12.303   51.114   8.5907   80.086   11.337   86.356   7.3410 -6.270409 13.50578 
1 1 1   19   10   49 o   90.235   5.1711   55.949   6.2926   49.223   8.8246   62.907   8.9756   84.649   7.6929   95.820   6.9123 -11.17130 10.34215 
1 1 1   19   10   50 o   71.242   6.8716   36.795   5.9107   19.515   8.1024   56.452   8.6416   51.778   11.809   90.706   7.0303 -38.92804 13.74327 
1 1 1   19   10   51 o  101.007   7.1638   74.351   8.3974   77.883   9.7911   64.524   16.330  106.530   6.7823   95.484   12.621 11.04626 14.32752 
1 1 1   19   10   52 o  169.988   6.1528  205.960   12.635  213.585   14.996  187.302   23.458  176.489   6.2701  163.487   10.588 13.00215 12.30559 
1 1 1   19   10   53 o  153.456   4.6132  161.707   9.5866  158.803   13.269  164.876   13.865  152.043   6.4403  154.868   6.6066 -2.824783 9.226308 
1 1 1   19   10   54 o  125.335   5.3549  107.938   8.7945  105.859   11.061  111.509   14.500  124.019   6.5815  126.650   8.4488 -2.630653 10.70973 
1 1 1   19   10   55 o   48.886   7.8432   17.666   5.0808   19.187   7.0502   16.023   7.3285   51.258   10.503   46.514   11.651 4.743431 15.68635 
1 1 1   19   10   56 o  112.385   5.9932   87.325   8.6336   91.094   14.964   85.445   10.570  113.652   9.7159  111.118   7.0198 2.533821 11.98650 
1 1 1   19   10   57 o   75.442   7.3507   40.394   7.1485   40.939   12.138   40.105   8.8453   75.264   11.901   75.621   8.6316 -0.3569489 14.70140 
1 1 1   19   10   58 o   90.868   5.5489   57.965   6.7811   65.921   9.5891   50.006   9.5906   97.331   7.2702   84.406   8.3848 12.92497 11.09779 
1 1 1   19   10   59 o   63.011   7.0463   28.882   5.8338   31.511   8.0773   26.016   8.4347   66.743   8.9305   59.279   10.902 7.463543 14.09254 
1 1 1   19   10   60 o   60.595   7.2153   26.892   5.7495   29.608   8.0110   24.008   8.2565   64.523   9.1621   56.667   11.149 7.855412 14.43063 
1 1 1   19   10   61 o  111.485   5.1951   86.640   7.7995   74.093   10.667  101.054   11.433  102.693   7.6652  120.278   7.0144 -17.58585 10.39020 
1 1 1   19   10   62 o   42.357   8.7341   13.525   5.4637   9.4944   7.5588   17.935   7.9066   36.451   12.590   48.264   12.109 -11.81293 17.46811 
1 1 1   19   10   63 o   36.499   10.387   6.9608   7.8484   5.3072   10.526   9.0310   11.778   34.378   14.111   38.620   15.245 -4.242027 20.77336 
1 1 1   19   10   64 o   50.515   16.183   21.077   12.536   0.0000   0.0000   21.077   12.536  ?   ?    50.515   16.183      ?      ? 
1 1 1   19   10   65 o   71.398   15.111   41.525   14.165   0.0000   0.0000   41.525   14.165  ?   ?    71.398   15.111      ?      ? 
1 1 1   19   10   66 o   40.255   15.669   11.094   12.296   0.0000   0.0000   11.094   12.296  ?   ?    40.255   15.669      ?      ? 
1 1 1   19   10   67 o  104.683   11.659   82.793   16.540   0.0000   0.0000   82.793   16.540  ?   ?   104.683   11.659      ?      ? 
1 1 1   19   10   68 o   34.134   14.329   5.1007   11.202   0.0000   0.0000   5.1007   11.202  ?   ?    34.134   14.329      ?      ? 
1 1 1   19   11    0 o  400.514   8.3410  1092.60   45.239  1072.20   62.595  1114.91   65.456  396.634   11.646  404.395   11.944 -7.761536 16.68194 
1 1 1   19   11    1 o  311.709   6.3341  657.383   24.977  669.798   44.287  651.592   30.247  313.664   10.419  309.754   7.2058 3.909241 12.66815 
1 1 1   19   11    2 o  223.429   4.5843  338.692   13.875  331.980   19.319  345.844   19.941  221.146   6.4465  225.712   6.5195 -4.565887 9.168502 
1 1 1   19   11    3 o  332.865   6.4739  741.087   27.121  787.140   49.031  720.786   32.554  339.972   10.643  325.758   7.3745 14.21417 12.94788 
1 1 1   19   11    4 o  416.457   7.2230  1178.98   38.187  1185.89   67.038  1175.67   46.461  417.013   11.863  415.902   8.2436 1.111359 14.44596 
1 1 1   19   11    5 o  444.646   6.0089  1344.17   36.204  1366.61   51.254  1321.83   51.146  448.360   8.4356  440.932   8.5597 7.428314 12.01786 
1 1 1   19   11    6 o  318.360   5.0299  688.384   21.695  688.415   30.369  688.351   31.005  318.375   7.0390  318.345   7.1870 0.3063965E-01 10.05984 
1 1 1   19   11    7 f  123.620   6.0242   99.336   7.2017   97.471   7.7768  110.568   19.083  119.873   4.7874  127.368   11.056 -7.494965 12.04839 
1 1 1   19   11    8 o  133.684   6.1302  124.365   7.9325  125.619   8.6285  117.517   20.161  136.087   4.6788  131.282   11.333 4.805511 12.26040 
1 1 1   19   11    9 o   92.813   6.4616   46.896   5.4480   43.499   5.7570   76.027   16.856   80.067   5.3059  105.560   11.784 -25.49244 12.92322 
1 1 1   19   11   10 o   91.363   7.2011   56.029   5.5652   55.798   5.8924   57.934   16.938   90.694   4.7944   92.033   13.581 -1.339256 14.40226 
1 1 1   19   11   11 f  155.215   5.9875  159.067   10.636  155.097   12.069  172.862   22.501  151.158   5.8921  159.271   10.425 -8.113693 11.97496 
1 1 1   19   11   12 o  211.254   5.9257  299.815   14.971  295.723   17.407  311.445   29.344  208.701   6.1548  213.807   10.128 -5.105560 11.85132 
1 1 1   19   11   13 o  238.184   10.254  386.616   33.095   0.0000   0.0000  386.616   33.095  ?   ?   238.184   10.254      ?      ? 
1 1 1   19   11   14 o  178.625   10.469  217.524   25.343   0.0000   0.0000  217.524   25.343  ?   ?   178.625   10.469      ?      ? 
1 1 1   19   11   15 o  182.297   10.360  226.564   25.594   0.0000   0.0000  226.564   25.594  ?   ?   182.297   10.360      ?      ? 
1 1 1   19   11   16 o  113.031   12.031   87.308   18.428   0.0000   0.0000   87.308   18.428  ?   ?   113.031   12.031      ?      ? 
1 1 1   19   11   17 o  139.888   7.5832  134.937   14.213  147.166   19.320  120.513   20.982  146.957   9.7012  132.818   11.658 14.13904 15.16633 
1 1 1   19   11   18 o  273.201   7.2513  509.953   26.790  527.700   37.141  490.703   38.681  278.234   9.8506  268.169   10.644 10.06534 14.50265 
1 1 1   19   11   19 o  335.815   7.6958  770.206   34.985  777.637   48.523  762.160   50.489  337.566   10.607  334.064   11.153 3.501617 15.39161 
1 1 1   19   11   20 o  149.117   7.3221  152.004   14.688  154.176   19.702  149.286   22.038  150.385   9.6678  147.849   10.999 2.536179 14.64417 
1 1 1   19   11   21 o  169.632   6.9939  194.778   15.987  183.131   21.292  209.833   24.207  163.895   9.5866  175.368   10.186 -11.47301 13.98785 
1 1 1   19   11   22 o  109.969   8.4526   82.258   12.455   66.455   16.951  100.803   18.362   98.487   12.701  121.451   11.157 -22.96359 16.90527 
1 1 1   19   11   24 f   51.089   15.850   17.955   12.116   17.955   12.116   0.0000   0.0000   51.089   15.850  ?   ?       ?      ? 
1 1 1   19   11   25 o  273.786   7.2691  509.845   26.836  492.387   35.947  531.824   40.334  268.596   9.8759  278.976   10.669 -10.38052 14.53829 
1 1 1   19   11   26 o  171.922   9.4482  201.643   22.012  201.643   22.012   0.0000   0.0000  171.922   9.4482  ?   ?       ?      ? 
1 1 1   19   11   27 o  113.122   5.8319   86.938   8.9401   86.938   8.9401   0.0000   0.0000  113.122   5.8319  ?   ?       ?      ? 
1 1 1   19   11   28 o  109.382   4.7379   81.215   7.0229   81.215   7.0229   0.0000   0.0000  109.382   4.7379  ?   ?       ?      ? 
1 1 1   19   11   29 o  117.180   6.0987   86.245   6.7407   83.570   7.2237  104.270   18.749  110.951   4.8045  123.409   11.211 -12.45755 12.19742 
1 1 1   19   11   30 o  154.229   5.9042  164.850   9.0621  166.177   9.9149  158.112   22.334  156.460   4.6763  151.998   10.843 4.462738 11.80846 
1 1 1   19   11   31 o  172.728   5.7936  196.887   10.032  193.846   10.932  213.108   25.250  168.973   4.7742  176.483   10.558 -7.509811 11.58720 
1 1 1   19   11   32 o  147.572   6.1835  146.638   10.541  144.889   12.050  152.340   21.755  145.985   6.0911  149.160   10.763 -3.174835 12.36699 
1 1 1   19   11   33 o   90.757   7.2907   57.922   6.2532   58.566   6.7725   54.200   16.284   92.844   5.3829   88.671   13.552 4.172943 14.58149 
1 1 1   19   11   34 o  124.040   5.9551   97.419   7.4480   93.943   8.0921  116.680   19.050  117.599   5.0778  130.481   10.774 -12.88181 11.91028 
1 1 1   19   11   35 o   76.079   8.5292   39.558   6.8757   38.929   7.6916   42.057   15.339   75.578   7.5100   76.579   15.316 -1.000519 17.05848 
1 1 1   19   11   36 o   99.005   7.4590   72.212   8.0350   76.164   9.1404   58.771   16.855  105.788   6.3759   92.222   13.487 13.56643 14.91803 
1 1 1   19   11   37 o   88.770   7.9841   60.421   6.5727   63.176   7.2214   47.122   15.867   96.390   5.5285   81.151   14.981 15.23929 15.96819 
1 1 1   19   11   38 o  153.217   5.8366  151.133   9.4284  146.001   10.372  175.538   22.619  146.546   5.2231  159.888   10.439 -13.34195 11.67321 
1 1 1   19   11   39 o  231.332   4.5840  361.479   14.300  318.085   19.301  414.291   21.293  216.050   6.5923  246.614   6.3713 -30.56354 9.167997 
1 1 1   19   11   40 o   79.174   6.7143   41.421   6.5452   46.870   12.462   39.345   7.6915   82.447   11.154   75.901   7.4779 6.545273 13.42865 
1 1 1   19   11   41 o   80.066   6.8898   42.346   6.9149   48.621   12.791   39.755   8.2195   83.902   11.250   76.230   7.9568 7.672188 13.77957 
1 1 1   19   11   42 o   98.889   6.2273   70.733   7.7474   56.024   12.856   79.121   9.7082   90.109   10.528  107.668   6.6538 -17.55884 12.45451 
1 1 1   19   11   43 o  193.280   5.5835  264.249   13.924  225.314   22.512  288.374   17.720  180.999   9.1781  205.560   6.3613 -24.56090 11.16707 
1 1 1   19   11   44 o   35.984   8.2025   8.5941   4.7943   4.1936   7.1159   12.252   6.4879   30.624   11.920   41.343   11.271 -10.71947 16.40508 
1 1 1   19   11   45 o   55.226   7.2027   21.491   5.1963   29.093   7.6310   14.919   7.0955   65.018   8.6610   45.433   11.511 19.58470 14.40536 
1 1 1   19   11   46 o  110.816   4.8608   84.339   7.2641   94.027   10.291   74.718   10.255  117.243   6.4771  104.389   7.2496 12.85377 9.721582 
1 1 1   19   11   47 f  101.488   5.1835   71.091   6.8666   48.073   9.3851   97.608   10.073   83.523   8.2918  119.452   6.2228 -35.92890 10.36709 
1 1 1   19   11   48 o   30.598   7.4535   3.6044   4.5090  -4.3366   6.3893   11.483   6.3641   21.269   9.7577   39.927   11.270 -18.65806 14.90706 
1 1 1   19   11   49 o   92.508   5.6079   56.679   6.8802   47.502   8.7134   71.876   11.213   83.002   7.7467  102.015   8.1107 -19.01302 11.21586 
1 1 1   19   11   50 o   58.042   7.5402   24.623   5.6156   26.747   7.2647   21.469   8.8517   62.094   8.6335   53.989   12.365 8.104973 15.08048 
1 1 1   19   11   51 o   87.763   5.3033   53.058   6.2596   44.659   8.6073   62.486   9.1198   80.317   7.9082   95.209   7.0684 -14.89187 10.60669 
1 1 1   19   11   52 o   49.673   9.7755   13.720   6.0804   9.1218   6.8677   30.400   13.079   36.298   12.002   63.048   15.433 -26.74983 19.55109 
1 1 1   19   11   53 o   48.310   7.7414   17.068   4.9956   12.766   6.8472   21.963   7.3047   41.620   11.669   55.000   10.175 -13.38061 15.48272 
1 1 1   19   11   54 f   61.087   6.7523   26.535   5.4342   22.875   7.4685   30.654   7.9219   56.054   10.208   66.120   8.8412 -10.06565 13.50458 
1 1 1   19   11   55 o  117.538   4.8597   95.292   7.6817   80.119   10.507  112.717   11.259  107.396   7.2193  127.679   6.5075 -20.28254 9.719325 
1 1 1   19   11   56 o   47.747   7.7267   16.758   5.1252   23.351   7.3649   10.568   7.1367   57.375   9.4725   38.119   12.210 19.25540 15.45335 
1 1 1   19   11   57 o   94.118   6.1909   59.572   7.5965   73.995   13.079   52.230   9.3318  101.968   9.4653   86.268   7.9824 15.70034 12.38187 
1 1 1   19   11   58 o   35.968   8.5667   9.1530   4.9435   8.0856   6.7555   10.384   7.2533   34.242   11.898   37.694   12.329 -3.452385 17.13345 
1 1 1   19   11   59 f   76.780   6.0414   41.773   6.2798   39.324   8.7798   44.338   8.9857   74.412   8.7069   79.148   8.3777 -4.736626 12.08289 
1 1 1   19   11   60 o  107.691   11.866   85.986   17.317   0.0000   0.0000   85.986   17.317  ?   ?   107.691   11.866      ?      ? 
1 1 1   19   11   61 o   56.760   16.075   26.707   12.926   0.0000   0.0000   26.707   12.926  ?   ?    56.760   16.075      ?      ? 
1 1 1   19   11   62 o   36.928   14.902   7.4751   11.505   0.0000   0.0000   7.4751   11.505  ?   ?    36.928   14.902      ?      ? 
1 1 1   19   11   63 o   57.999   16.254   28.416   13.287   0.0000   0.0000   28.416   13.287  ?   ?    57.999   16.254      ?      ? 
1 1 1   19   11   64 o   45.149   16.508   16.164   13.167   0.0000   0.0000   16.164   13.167  ?   ?    45.149   16.508      ?      ? 
1 1 1   19   12    0 o  279.573   7.0316  531.995   26.330  530.031   34.663  534.674   40.482  279.072   9.1657  280.074   10.666 -1.001709 14.06324 
1 1 1   19   12    1 o  226.072   6.7686  352.335   20.350  374.677   26.863  322.249   31.173  234.709   8.4458  217.436   10.579 17.27347 13.53721 
1 1 1   19   12    2 o  179.134   5.2626  218.406   12.428  216.623   20.003  219.528   15.861  178.475   8.2704  179.794   6.5101 -1.318314 10.52523 
1 1 1   19   12    3 o  204.688   5.3014  284.643   14.311  285.226   23.070  284.279   18.246  204.787   8.3133  204.590   6.5810 0.1969604 10.60282 
1 1 1   19   12    4 o  261.041   4.8079  462.461   16.984  497.681   24.400  429.358   23.656  270.688   6.6519  251.395   6.9437 19.29327 9.615791 
1 1 1   19   12    5 o  198.716   4.5662  267.562   12.282  254.557   16.887  282.164   17.895  193.603   6.4368  203.828   6.4785 -10.22496 9.132501 
1 1 1   19   12    6 o  135.489   4.5474  124.305   8.3360  118.007   11.405  131.529   12.215  131.818   6.3846  139.161   6.4771 -7.342636 9.094831 
1 1 1   19   12    7 o  145.311   7.4907  142.964   14.681  133.876   19.632  154.496   22.113  140.132   10.338  150.491   10.843 -10.35924 14.98150 
1 1 1   19   12    8 o   64.966   9.1961   44.017   6.6974   52.604   7.3747   3.6057   15.998   88.013   6.1832   41.919   17.322 46.09369 18.39223 
1 1 1   19   12    9 o  337.204   6.4549  800.741   24.210  822.006   27.515  727.844   50.945  347.952   5.8355  326.456   11.516 21.49530 12.90983 
1 1 1   19   12   10 o  299.058   6.1705  619.000   20.094  626.171   22.572  591.620   44.105  303.719   5.4843  294.397   11.055 9.322540 12.34097 
1 1 1   19   12   11 o  121.094   6.7444  104.011   7.4464  105.535   8.0167   94.429   20.101  124.715   4.7435  117.472   12.627 7.242813 13.48881 
1 1 1   19   12   12 o  168.426   6.0829  206.820   10.203  214.070   11.248  173.159   24.237  177.624   4.6729  159.227   11.233 18.39633 12.16588 
1 1 1   19   12   13 o  356.526   6.4407  843.024   25.159  827.563   28.115  905.173   56.368  349.083   5.9434  363.969   11.428 -14.88589 12.88139 
1 1 1   19   12   14 o  262.303   5.9134  465.114   16.525  463.132   18.358  473.578   37.939  261.211   5.1861  263.395   10.629 -2.183868 11.82676 
1 1 1   19   12   15 o  138.292   6.2748  126.955   9.7688  124.405   11.023  136.287   21.087  135.336   6.0104  141.248   11.017 -5.911774 12.54957 
1 1 1   19   12   16 o   94.038   7.5389   66.346   5.8334   68.086   6.2049   53.102   17.116  100.171   4.5710   87.906   14.368 12.26464 15.07784 
1 1 1   19   12   17 o  215.808   5.9939  336.325   13.318  347.706   14.801  287.912   30.525  226.347   4.8253  205.269   10.974 21.07814 11.98778 
1 1 1   19   12   18 o  131.329   5.8895  117.154   10.481  117.154   10.481   0.0000   0.0000  131.329   5.8895  ?   ?       ?      ? 
1 1 1   19   12   19 o  116.411   5.8981   92.056   9.3044   92.056   9.3044   0.0000   0.0000  116.411   5.8981  ?   ?       ?      ? 
1 1 1   19   12   20 o  170.247   5.8022  196.884   13.386  196.884   13.386   0.0000   0.0000  170.247   5.8022  ?   ?       ?      ? 
1 1 1   19   12   21 o  142.566   6.8029  149.053   10.341  156.434   11.664  121.947   22.353  151.759   5.6716  133.374   12.367 18.38449 13.60573 
1 1 1   19   12   22 o   44.250   9.0464   13.849   4.2420   14.508   4.4523   7.3673   13.969   46.181   7.1144   42.318   16.635 3.862621 18.09287 
1 1 1   19   12   23 o   33.882   9.6116   2.0516   4.0908   1.1918   4.2770   11.288   14.018   22.100   9.0241   45.665   16.973 -23.56461 19.22326 
1 1 1   19   12   24 o  124.734   6.8902  120.102   7.5257  125.215   8.1158   88.724   20.105  135.833   4.4090  113.636   13.056 22.19691 13.78036 
1 1 1   19   12   25 o  214.856   6.1548  318.137   15.557  321.649   18.045  307.968   30.707  217.535   6.1213  212.176   10.680 5.358719 12.30954 
1 1 1   19   12   26 o  160.405   6.1558  168.679   11.103  163.574   12.494  187.843   24.207  155.138   5.9430  165.672   10.782 -10.53395 12.31160 
1 1 1   19   12   27 o  113.097   6.8667   84.122   7.3592   82.859   7.9221   92.073   19.877  110.447   5.2931  115.747   12.672 -5.300369 13.73343 
1 1 1   19   12   28 o  141.679   4.7156  136.286   9.0537  136.286   9.0537   0.0000   0.0000  141.679   4.7156  ?   ?       ?      ? 
1 1 1   19   12   29 o  222.201   5.9527  345.817   13.679  351.004   15.142  322.802   31.895  227.343   4.9150  217.059   10.843 10.28369 11.90533 
1 1 1   19   12   30 f  131.465   6.1483  112.054   7.7076  109.754   8.2970  126.542   20.822  127.127   4.8162  135.803   11.314 -8.676758 12.29668 
1 1 1   19   12   31 o  129.650   6.4343  120.066   8.0201  122.405   8.7357  107.518   20.233  134.248   4.8018  125.052   11.939 9.195389 12.86865 
1 1 1   19   12   32 o  125.361   6.2746  106.316   7.6778  105.843   8.3378  108.953   19.690  124.820   4.9293  125.903   11.540 -1.083046 12.54914 
1 1 1   19   12   33 o  170.066   5.9510  178.135   11.846  161.428   13.411  237.456   25.270  153.990   6.4265  186.142   10.018 -32.15208 11.90205 
1 1 1   19   12   34 o  179.743   5.9206  206.037   12.551  192.328   14.328  251.254   26.022  168.078   6.2907  191.408   10.032 -23.33000 11.84124 
1 1 1   19   12   35 o  115.177   6.7791   86.456   8.8673   82.952   9.9998   99.349   19.182  110.330   6.6883  120.024   11.794 -9.693565 13.55827 
1 1 1   19   12   36 o  126.778   6.6068  108.709   9.9323  107.138   11.498  113.326   19.715  125.354   6.7687  128.202   11.348 -2.847824 13.21354 
1 1 1   19   12   37 o  155.732   6.1200  160.125   10.954  155.047   12.439  177.660   23.114  150.861   6.0845  160.602   10.621 -9.740967 12.24000 
1 1 1   19   12   38 o  151.085   6.1895  152.107   10.819  148.178   12.340  165.164   22.495  147.439   6.1760  154.732   10.728 -7.292038 12.37904 
1 1 1   19   12   39 o  132.585   6.3479  124.492   8.6500  126.637   9.5689  114.907   20.229  136.402   5.1768  128.769   11.593 7.632965 12.69589 
1 1 1   19   12   40 o  239.365   6.3091  403.815   18.404  417.892   21.934  370.340   33.825  247.382   6.5429  231.347   10.789 16.03445 12.61818 
1 1 1   19   12   41 o  132.209   6.6355  117.528   10.462  114.363   12.117  126.802   20.739  129.311   6.9146  135.107   11.327 -5.796371 13.27110 
1 1 1   19   12   42 f   99.170   7.1421   65.989   7.3375   64.858   8.0674   71.404   17.653   97.452   6.1088  100.888   12.912 -3.435417 14.28414 
1 1 1   19   12   43 o  159.064   10.805  176.021   23.290   0.0000   0.0000  176.021   23.290  ?   ?   159.064   10.805      ?      ? 
1 1 1   19   12   44 o  140.207   4.6966  135.031   8.8700  153.051   12.615  117.413   12.474  149.577   6.2238  130.837   7.0354 18.74002 9.393203 
1 1 1   19   12   45 o  127.154   5.1465  110.371   8.7025  107.383   11.206  114.910   13.813  125.158   6.6073  129.150   7.8924 -3.992455 10.29298 
1 1 1   19   12   46 o   58.487   6.6860   24.185   5.1302   28.188   7.3345   20.351   7.1784   63.834   8.4788   53.141   10.340 10.69243 13.37205 
1 1 1   19   12   47 o   90.776   5.0414   56.786   6.1851   51.740   8.6987   61.946   8.7961   86.636   7.4092   94.917   6.8386 -8.280853 10.08280 
1 1 1   19   12   48 o   50.865   7.3418   18.756   4.8863   19.415   7.0693   18.153   6.7614   51.721   10.446   50.010   10.319 1.711109 14.68361 
1 1 1   19   12   49 o   42.305   7.7106   13.020   4.8112   5.9211   6.8243   20.035   6.7840   31.952   11.849   52.659   9.8694 -20.70704 15.42127 
1 1 1   19   12   50 f   61.295   6.3771   26.384   5.2742   28.665   7.3839   24.008   7.5361   64.119   8.4980   58.472   9.5109 5.647530 12.75429 
1 1 1   19   12   51 o   48.099   7.6705   16.977   4.9352   12.299   6.7855   22.232   7.1911   40.838   11.675   55.359   9.9516 -14.52060 15.34110 
1 1 1   19   12   52 o   30.252   9.0281   2.6254   5.6213   3.8421   6.3394  -1.8515   12.160   28.577   11.215   31.926   14.151 -3.348631 18.05628 
1 1 1   19   12   53 o   63.485   8.7249   22.589   6.5816   15.088   7.4429   49.489   14.094   44.781   12.015   82.190   12.654 -37.40918 17.44984 
1 1 1   19   12   54 o   95.927   5.1650   64.032   6.7030   62.003   9.1675   66.363   9.8257   94.346   7.1704   97.507   7.4361 -3.160820 10.33004 
1 1 1   19   12   55 o  135.615   4.7732  127.517   8.7577  120.597   11.979  135.463   12.836  131.695   6.7123  139.536   6.7882 -7.840927 9.546455 
1 1 1   19   12   56 o   85.202   13.592   54.799   15.693   0.0000   0.0000   54.799   15.693  ?   ?    85.202   13.592      ?      ? 
1 1 1   19   12   57 f   94.877   12.325   67.024   15.847   0.0000   0.0000   67.024   15.847  ?   ?    94.877   12.325      ?      ? 
1 1 1   19   12   58 o   72.963   15.438   42.963   14.788   0.0000   0.0000   42.963   14.788  ?   ?    72.963   15.438      ?      ? 
1 1 1   19   12   59 o   37.775   15.159   8.0822   11.833   0.0000   0.0000   8.0822   11.833  ?   ?    37.775   15.159      ?      ? 
1 1 1   19   12   60 o   72.028   15.074   42.071   14.241   0.0000   0.0000   42.071   14.241  ?   ?    72.028   15.074      ?      ? 
1 1 1   19   12   61 o   29.996   13.415  -1.4569   11.181   0.0000   0.0000  -1.4569   11.181  ?   ?    29.996   13.415      ?      ? 
1 1 1   19   13    0 o  410.478   5.8358  1142.84   32.404  1238.74   47.285  1057.93   44.495  426.677   8.1778  394.279   8.3277 32.39786 11.67167 
1 1 1   19   13    1 o  344.259   5.3409  806.020   24.908  832.065   35.307  780.214   35.145  349.814   7.4480  338.705   7.6569 11.10864 10.68183 
1 1 1   19   13    2 o  233.107   6.7662  369.267   21.374   0.0000   0.0000  369.267   21.374  ?   ?   233.107   6.7662      ?      ? 
1 1 1   19   13    3 o  151.577   4.6990  155.986   9.6434  153.097   13.310  159.179   13.991  150.108   6.5434  153.047   6.7459 -2.939301 9.398023 
1 1 1   19   13    4 o  121.270   6.9586   95.881   9.6925   92.233   10.986  108.691   20.587  116.487   6.9597  126.054   12.052 -9.567101 13.91718 
1 1 1   19   13    5 o  263.200   6.4209  481.366   20.566  494.104   24.416  450.256   38.157  269.642   6.6820  256.757   10.966 12.88580 12.84181 
1 1 1   19   13    6 o  288.863   5.0245  568.287   19.633  598.321   27.508  537.101   28.031  296.692   6.8418  281.034   7.3603 15.65778 10.04908 
1 1 1   19   13    7 o  255.078   5.5943  424.171   18.222  390.909   21.952  497.872   32.676  239.820   6.7546  270.336   8.9196 -30.51651 11.18861 
1 1 1   19   13    8 o  305.522   6.9977  634.616   28.972  634.616   28.972   0.0000   0.0000  305.522   6.9977  ?   ?       ?      ? 
1 1 1   19   13    9 o  284.715   5.4365  550.395   20.975  550.395   20.975   0.0000   0.0000  284.715   5.4365  ?   ?       ?      ? 
1 1 1   19   13   10 o  238.775   5.1326  387.034   16.608  387.034   16.608   0.0000   0.0000  238.775   5.1326  ?   ?       ?      ? 
1 1 1   19   13   11 f  182.916   4.8604  227.092   12.048  227.092   12.048   0.0000   0.0000  182.916   4.8604  ?   ?       ?      ? 
1 1 1   19   13   12 o  160.411   6.4862  177.172   11.766  178.628   13.395  172.255   24.623  162.145   6.0960  158.678   11.451 3.466690 12.97237 
1 1 1   19   13   13 o  198.806   6.1420  267.379   14.383  265.411   16.615  273.265   28.733  197.632   6.2037  199.981   10.602 -2.349915 12.28403 
1 1 1   19   13   14 o  206.643   6.1084  314.409   13.086  329.264   14.629  254.922   29.275  220.241   4.9015  193.045   11.191 27.19559 12.21689 
1 1 1   19   13   15 o  175.311   6.1188  200.006   12.454  191.726   14.176  228.019   26.075  167.962   6.2281  182.660   10.534 -14.69783 12.23764 
1 1 1   19   13   16 o  148.737   6.1447  151.735   8.8883  152.153   9.6608  149.432   22.685  149.718   4.7616  147.756   11.329 1.961563 12.28943 
1 1 1   19   13   17 o  153.159   6.0457  153.695   9.0638  151.042   9.8179  169.002   23.582  149.163   4.8571  157.156   11.073 -7.993179 12.09134 
1 1 1   19   13   18 o  170.392   6.6045  230.029   10.929  248.008   12.147  153.624   25.041  191.145   4.6895  149.639   12.349 41.50641 13.20906 
1 1 1   19   13   19 o  140.094   6.2024  126.586   8.3018  123.766   8.9363  144.353   22.432  135.018   4.8841  145.171   11.403 -10.15331 12.40478 
1 1 1   19   13   20 o  175.443   6.3340  227.513   10.775  236.083   11.818  185.299   26.229  186.488   4.6763  164.399   11.773 22.08890 12.66790 
1 1 1   19   13   21 o  218.558   5.7888  319.118   13.068  315.677   14.365  335.619   31.462  215.619   4.9164  221.497   10.482 -5.877914 11.57763 
1 1 1   19   13   22 f  121.639   6.7477  104.066   7.4119  105.137   7.9579   97.058   20.361  124.442   4.7189  118.835   12.643 5.606995 13.49539 
1 1 1   19   13   23 o  130.548   6.1066  103.919   7.4672   99.645   7.9758  134.263   21.252  121.138   4.8586  139.959   11.205 -18.82118 12.21316 
1 1 1   19   13   24 o  214.205   5.7243  301.132   12.636  295.068   13.853  331.185   30.837  208.443   4.9041  219.967   10.345 -11.52417 11.44865 
1 1 1   19   13   25 o  164.860   5.8765  179.561   9.5443  176.973   10.361  194.071   24.530  161.435   4.7360  168.284   10.757 -6.849274 11.75302 
1 1 1   19   13   26 f  162.194   6.0019  176.985   9.5091  175.855   10.323  183.317   24.436  160.918   4.7338  163.471   11.031 -2.552948 12.00379 
1 1 1   19   13   27 o  215.396   5.9563  318.087   13.118  318.809   14.430  314.650   31.491  216.636   4.9154  214.156   10.851 2.479675 11.91254 
1 1 1   19   13   28 o  206.543   5.8846  292.868   12.507  293.738   13.783  288.809   29.760  207.934   4.8915  205.152   10.705 2.782410 11.76919 
1 1 1   19   13   29 o  185.629   5.7864  227.378   10.938  223.427   11.962  247.540   27.021  181.339   4.8677  189.919   10.499 -8.579865 11.57276 
1 1 1   19   13   30 o  104.764   7.3155   81.788   6.8800   84.234   7.4224   66.861   18.336  111.332   4.9197   98.196   13.779 13.13631 14.63095 
1 1 1   19   13   31 f   48.814   9.0625   20.175   5.1950   22.477   5.5446   3.6221   14.866   57.407   7.1273   40.220   16.665 17.18648 18.12501 
1 1 1   19   13   32 o  159.998   8.0692  175.016   17.495  175.016   17.495   0.0000   0.0000  159.998   8.0692  ?   ?       ?      ? 
1 1 1   19   13   33 o  235.085   10.860  380.975   34.598   0.0000   0.0000  380.975   34.598  ?   ?   235.085   10.860      ?      ? 
1 1 1   19   13   34 o  210.675   5.8785  296.173   12.933  291.816   14.252  316.505   30.786  207.109   5.0779  214.242   10.604 -7.133179 11.75698 
1 1 1   19   13   35 o   59.568   9.5279   23.217   5.4226   22.551   5.7957   27.896   15.361   57.424   7.4479   61.712   17.540 -4.287910 19.05578 
1 1 1   19   13   36 o  100.402   6.7303   61.230   6.6871   57.838   7.2084   82.172   17.909   92.115   5.7747  108.689   12.159 -16.57427 13.46052 
1 1 1   19   13   37 o   50.043   10.048   12.088   5.1782   9.7517   5.5165   29.395   15.016   37.055   10.504   63.031   17.132 -25.97610 20.09566 
1 1 1   19   13   38 o   54.783   9.3181   26.008   5.6314   28.608   6.0858   10.518   14.852   64.657   6.9458   44.909   17.293 19.74797 18.63611 
1 1 1   19   13   39 o   94.235   5.8737   60.631   7.5008   60.631   7.5008   0.0000   0.0000   94.235   5.8737  ?   ?       ?      ? 
1 1 1   19   13   40 o   66.389   8.9227   30.432   8.0274   30.432   8.0274   0.0000   0.0000   66.389   8.9227  ?   ?       ?      ? 
1 1 1   19   13   41 o   47.542   11.026   14.213   6.6665   13.401   7.3017   18.278   16.341   43.035   12.045   52.049   18.472 -9.013824 22.05172 
1 1 1   19   13   42 o   72.568   8.7912   37.077   6.1066   36.732   6.6457   38.949   15.477   73.174   6.7020   71.962   16.255 1.211700 17.58233 
1 1 1   19   13   43 o   34.153   9.4284   5.9337   5.1032   6.5111   5.5390   2.6924   13.124   31.571   10.782   36.734   15.470 -5.162964 18.85672 
1 1 1   19   13   44 o   80.774   8.2722   45.108   6.4989   44.297   7.1014   49.291   16.123   80.304   6.5257   81.245   15.203 -0.9411240 16.54432 
1 1 1   19   13   45 o   32.369   9.5684   2.2587   5.1617   1.5089   5.5799   6.7068   13.590   24.806   10.238   39.933   16.168 -15.12741 19.13688 
1 1 1   19   13   46 o   77.578   8.5383   43.387   6.4957   43.285   7.1402   43.876   15.645   79.270   6.6469   75.885   15.730 3.385063 17.07670 
1 1 1   19   13   47 o   46.708   10.047   12.106   5.4319   9.7894   5.9054   24.839   13.844   36.805   10.996   56.610   16.818 -19.80495 20.09399 
1 1 1   19   13   48 o   96.101   7.0051   52.794   7.9842   41.216   9.0104   95.113   17.226   76.743   8.6641  115.459   11.010 -38.71557 14.01017 
1 1 1   19   13   49 f   44.030   7.0230   14.505   4.8209   2.1381   7.0432   25.406   6.6127   27.748   11.482   60.312   8.0908 -32.56415 14.04606 
1 1 1   19   13   50 o   54.999   7.2821   22.828   5.1865   13.771   7.4089   31.532   7.2629   42.855   12.182   67.144   7.9822 -24.28891 14.56420 
1 1 1   19   13   51 o   66.988   8.1530   35.400   6.5724   26.396   11.155   40.187   8.1343   58.242   14.250   75.734   7.9259 -17.49237 16.30603 
1 1 1   19   13   52 o   41.392   16.194   10.462   13.183   0.0000   0.0000   10.462   13.183  ?   ?    41.392   16.194      ?      ? 
1 1 1   19   13   53 o   54.168   17.439   24.062   14.545   0.0000   0.0000   24.062   14.545  ?   ?    54.168   17.439      ?      ? 
1 1 1   19   13   54 o  103.462   12.638   79.991   17.719   0.0000   0.0000   79.991   17.719  ?   ?   103.462   12.638      ?      ? 
1 1 1   19   13   55 f   43.049   16.480   12.880   13.437   0.0000   0.0000   12.880   13.437  ?   ?    43.049   16.480      ?      ? 
1 1 1   19   13   56 f   29.201   13.227  -3.3277   11.269   0.0000   0.0000  -3.3277   11.269  ?   ?    29.201   13.227      ?      ? 
1 1 1   19   13   57 o   43.932   15.868   14.773   12.113   0.0000   0.0000   14.773   12.113  ?   ?    43.932   15.868      ?      ? 
1 1 1   19   14    0 o  223.985   4.7916  341.285   14.532  346.496   20.232  335.733   20.885  225.770   6.6130  222.200   6.9359 3.570145 9.583225 
1 1 1   19   14    1 o  202.462   4.7500  276.930   12.989  250.265   17.626  308.623   19.216  191.857   6.7794  213.068   6.6551 -21.21118 9.500048 
1 1 1   19   14    2 o  159.947   4.8176  173.678   10.425  169.396   14.278  178.569   15.258  157.850   6.6750  162.045   6.9484 -4.194733 9.635120 
1 1 1   19   14    3 o  250.771   4.8552  428.134   16.479  448.314   23.157  407.432   23.455  256.792   6.6545  244.751   7.0717 12.04152 9.710388 
1 1 1   19   14    4 o  167.189   4.7554  189.506   10.752  181.959   14.645  198.331   15.836  163.599   6.6057  170.780   6.8425 -7.180481 9.510844 
1 1 1   19   14    5 o  157.344   4.7425  167.701   10.089  159.433   13.707  177.476   14.903  153.135   6.6051  161.552   6.8072 -8.416138 9.485038 
1 1 1   19   14    6 o  182.105   4.6532  225.053   11.460  219.365   15.641  231.645   16.839  179.640   6.4253  184.570   6.7323 -4.930695 9.306373 
1 1 1   19   14    7 o   80.828   6.6735   44.653   6.6431   26.006   8.8030   69.318   10.125   60.729   11.106  100.926   7.4028 -40.19629 13.34707 
1 1 1   19   14    8 o   55.656   9.9405   22.548   5.3725   23.147   5.6860   17.561   16.406   58.327   7.1938   52.986   18.534 5.341141 19.88094 
1 1 1   19   14    9 o  134.657   6.9390  124.492   10.604  125.059   12.078  122.589   22.146  135.618   6.5720  133.696   12.223 1.922012 13.87808 
1 1 1   19   14   10 o  130.506   7.6173  131.955   10.713  145.380   12.333   90.673   21.627  146.245   6.2230  114.766   13.906 31.47862 15.23469 
1 1 1   19   14   11 o  223.597   6.3120  334.331   16.735  327.423   19.339  354.929   33.395  219.437   6.5034  227.757   10.820 -8.320038 12.62402 
1 1 1   19   14   12 o  193.890   6.3376  273.455   12.436  282.990   13.766  231.113   29.009  204.151   4.9758  183.628   11.658 20.52316 12.67516 
1 1 1   19   14   13 o   85.278   8.9362   53.455   6.3040   54.299   6.7259   47.353   18.084   89.401   5.5517   81.154   16.988 8.247017 17.87244 
1 1 1   19   14   14 f  171.673   6.0446  200.453   10.387  200.200   11.354  201.749   25.726  171.712   4.8793  171.634   11.061 0.7861328E-01 12.08917 
1 1 1   19   14   15 o  201.055   6.3355  282.404   14.988  289.475   17.453  262.535   29.255  206.334   6.2418  195.777   11.027 10.55746 12.67099 
1 1 1   19   14   16 o  228.227   6.0088  363.730   14.398  368.880   16.002  341.840   32.990  233.053   5.0668  223.400   10.897 9.653473 12.01760 
1 1 1   19   14   17 o  204.229   6.1809  275.128   14.706  266.474   16.802  303.464   30.403  197.949   6.2636  210.510   10.658 -12.56161 12.36186 
1 1 1   19   14   18 o  207.326   6.1659  281.669   14.887  271.139   16.985  316.575   30.924  199.662   6.2773  214.989   10.614 -15.32654 12.33176 
1 1 1   19   14   19 o  235.076   6.0973  391.276   15.055  400.058   16.773  354.881   34.146  242.675   5.1004  227.477   11.077 15.19768 12.19468 
1 1 1   19   14   20 f  152.255   6.5609  162.157   11.443  165.580   13.145  151.448   23.252  156.016   6.2175  148.494   11.555 7.522430 13.12171 
1 1 1   19   14   21 o   83.715   9.0853   51.822   7.8733   53.744   8.8633   44.630   17.144   88.807   7.3649   78.624   16.611 10.18236 18.17054 
1 1 1   19   14   22 o   72.734   9.6748   40.192   7.3678   42.185   8.2569   32.404   16.321   78.646   7.7475   66.823   17.731 11.82258 19.34961 
1 1 1   19   14   23 f   76.442   9.5905   39.351   8.6068   37.343   9.9863   45.151   16.971   73.819   9.9828   79.065   16.379 -5.246162 19.18108 
1 1 1   19   14   24 o  103.338   8.1624   77.015   10.189   82.025   12.188   65.388   18.567  109.587   8.2069   97.090   14.112 12.49740 16.32480 
1 1 1   19   14   25 f  128.725   7.4105  118.078   11.877  125.786   14.501  102.370   20.701  135.725   7.8844  121.725   12.550 14.00012 14.82104 
1 1 1   19   14   26 o   79.005   8.9758   42.767   7.4657   42.010   8.3311   45.853   16.822   78.425   7.8391   79.585   16.150 -1.159798 17.95163 
1 1 1   19   14   27 o  147.809   6.3786  147.158   10.877  144.895   12.420  154.606   22.534  145.836   6.2843  149.781   11.102 -3.945404 12.75720 
1 1 1   19   14   28 o  157.275   6.3020  166.207   11.497  163.155   13.152  176.097   23.677  154.730   6.2724  159.819   10.932 -5.088608 12.60392 
1 1 1   19   14   29 o  158.070   6.1759  174.903   9.7736  176.729   10.719  165.904   23.800  161.201   4.9070  154.940   11.335 6.260406 12.35176 
1 1 1   19   14   30 o  124.664   6.5295  105.831   7.8140  105.436   8.4592  108.129   20.399  124.486   5.0145  124.841   12.058 -0.3549194 13.05901 
1 1 1   19   14   31 o   88.580   8.4465   58.416   6.3438   59.540   6.8071   50.989   17.495   93.505   5.3721   83.654   16.016 9.851768 16.89292 
1 1 1   19   14   32 o   78.439   8.1881   41.030   5.7576   40.182   6.1730   46.702   15.967   76.758   5.9346   80.121   15.263 -3.363068 16.37612 
1 1 1   19   14   33 o  106.522   7.2843   73.157   7.0179   71.412   7.4791   86.008   20.299  102.368   5.3914  110.676   13.534 -8.308090 14.56865 
1 1 1   19   14   34 o   51.377   7.4539   18.095   5.1896   18.095   5.1896   0.0000   0.0000   51.377   7.4539  ?   ?       ?      ? 
1 1 1   19   14   35 o   63.989   7.7854   28.123   6.7510   28.123   6.7510   0.0000   0.0000   63.989   7.7854  ?   ?       ?      ? 
1 1 1   19   14   36 o   72.047   6.5470   35.535   6.3921   35.535   6.3921   0.0000   0.0000   72.047   6.5470  ?   ?       ?      ? 
1 1 1   19   14   37 f   94.710   8.7158   72.602   6.9703   76.055   7.5447   52.487   18.212  105.568   5.2739   83.852   16.615 21.71599 17.43151 
1 1 1   19   14   38 o   74.568   8.5933   36.349   7.0539   33.728   7.9168   46.444   15.537   69.880   8.3602   79.255   15.016 -9.374359 17.18665 
1 1 1   19   14   39 o   71.320   9.4690   39.100   7.2250   40.769   8.1584   33.032   15.556   76.872   7.8317   65.769   17.243 11.10235 18.93807 
1 1 1   19   14   40 o   90.939   8.8631   67.966   8.3203   75.808   9.6259   44.795   16.546  105.011   6.7643   76.867   16.385 28.14391 17.72616 
1 1 1   19   14   41 o   72.015   8.4667   34.489   5.8251   33.195   6.3061   42.013   15.206   69.463   6.6993   74.568   15.552 -5.104980 16.93340 
1 1 1   19   14   42 o   68.513   8.0900   27.284   5.6513   24.032   6.1354   45.491   14.516   58.919   7.6843   78.107   14.239 -19.18817 16.17999 
1 1 1   19   14   43 o  116.753   6.5862   88.122   8.9146   81.822   10.093  110.474   19.010  108.891   6.8400  124.615   11.257 -15.72458 13.17231 
1 1 1   19   14   44 o   71.055   8.5955   33.085   6.0155   31.261   6.5391   43.126   15.343   67.196   7.1812   74.914   15.619 -7.718346 17.19106 
1 1 1   19   14   45 o   35.595   9.1831   8.2742   5.0336   9.4214   5.4841   2.1405   12.681   35.994   10.557   35.195   15.029 0.7994347 18.36622 
1 1 1   19   14   46 o   44.519   9.6867   15.711   6.2519   17.966   7.1005   7.9320   13.188   49.216   10.931   39.822   15.995 9.393871 19.37348 
1 1 1   19   14   47 o   38.223   9.5846   10.260   5.9640   12.003   6.7990   4.4433   12.421   40.170   11.747   36.276   15.148 3.893784 19.16929 
1 1 1   19   14   48 o   74.831   15.541   44.108   15.244   0.0000   0.0000   44.108   15.244  ?   ?    74.831   15.541      ?      ? 
1 1 1   19   14   49 o   36.357   15.446   3.7707   13.269   0.0000   0.0000   3.7707   13.269  ?   ?    36.357   15.446      ?      ? 
1 1 1   19   14   50 o   48.367   17.022   18.198   13.850   0.0000   0.0000   18.198   13.850  ?   ?    48.367   17.022      ?      ? 
1 1 1   19   14   51 o   68.641   17.109   39.209   15.858   0.0000   0.0000   39.209   15.858  ?   ?    68.641   17.109      ?      ? 
1 1 1   19   14   52 o   77.192   16.137   48.582   16.336   0.0000   0.0000   48.582   16.336  ?   ?    77.192   16.137      ?      ? 
1 1 1   19   15    0 o  222.248   6.1787  338.110   17.413  333.398   30.473  340.394   21.219  220.832   10.183  223.663   7.0009 -2.830765 12.35735 
1 1 1   19   15    1 o  227.470   4.8830  352.720   14.987  393.301   21.319  313.071   21.073  240.479   6.5421  214.462   7.2509 26.01659 9.766010 
1 1 1   19   15    2 o  143.045   5.0364  138.126   9.7228  124.881   13.090  154.427   14.522  135.457   7.1309  150.633   7.1141 -15.17555 10.07277 
1 1 1   19   15    3 o  208.194   4.7873  295.815   13.459  320.514   18.884  270.317   19.186  217.097   6.4188  199.291   7.1044 17.80540 9.574572 
1 1 1   19   15    4 o  124.526   5.1523  105.037   8.6716   98.005   11.760  113.415   12.837  119.986   7.2329  129.066   7.3396 -9.080009 10.30456 
1 1 1   19   15    5 o   29.848   8.5102   2.1278   5.3525  -0.4455   7.1472   5.4138   8.0768   26.143   11.226   33.553   12.793 -7.410492 17.02047 
1 1 1   19   15    6 o  126.171   5.0422  108.801   8.5734  113.329   11.682  103.514   12.622  129.064   6.6794  123.278   7.5553 5.785690 10.08442 
1 1 1   19   15    7 o  175.788   4.7331  209.344   11.240  199.304   15.189  221.499   16.713  171.164   6.5483  180.411   6.8359 -9.246689 9.466243 
1 1 1   19   15    8 o  132.218   7.4514  136.802   9.1376  144.672   9.9983   96.909   22.511  145.945   5.0554  118.492   14.019 27.45290 14.90271 
1 1 1   19   15    9 f  199.591   6.4989  284.211   15.345  298.567   18.050  246.797   29.140  209.507   6.3578  189.675   11.337 19.83107 12.99785 
1 1 1   19   15   10 o  113.841   7.8630  102.454   8.1087  108.307   8.8356   71.206   20.414  126.265   5.1638  101.417   14.854 24.84807 15.72593 
1 1 1   19   15   11 o  130.135   6.7619  116.094   8.5440  116.224   9.2810  115.373   21.878  130.790   5.2365  129.480   12.469 1.309906 13.52387 
1 1 1   19   15   12 o   84.257   9.0325   52.112   6.4562   52.921   6.9134   46.595   18.052   88.225   5.7825   80.289   17.114 7.936409 18.06492 
1 1 1   19   15   13 o  130.567   7.3458  132.556   8.8581  139.603   9.6720   95.895   22.062  143.352   4.9789  117.783   13.822 25.56867 14.69153 
1 1 1   19   15   14 o  153.364   11.568  161.683   24.042   0.0000   0.0000  161.683   24.042  ?   ?   153.364   11.568      ?      ? 
1 1 1   19   15   15 o  118.255   7.8755  100.650   11.250  107.172   13.455   85.493   20.511  125.327   7.9223  111.182   13.614 14.14532 15.75097 
1 1 1   19   15   16 o  147.204   7.1904  147.192   13.232  145.025   15.848  152.178   24.041  145.760   8.0235  148.648   11.934 -2.888336 14.38076 
1 1 1   19   15   17 o   60.819   10.563   28.752   7.4453   30.961   8.2344   18.859   17.429   67.271   9.0328   54.368   19.098 12.90230 21.12651 
1 1 1   19   15   18 o  121.241   7.5273  109.474   9.7048  115.634   10.966   87.217   20.844  130.326   6.2091  112.157   13.715 18.16955 15.05462 
1 1 1   19   15   19 o  163.519   6.2659  185.569   10.231  186.841   11.202  179.168   25.122  165.793   4.9858  161.245   11.497 4.547379 12.53170 
1 1 1   19   15   20 o  187.122   6.2749  250.497   11.864  256.318   13.086  223.621   28.117  194.175   4.9730  180.069   11.522 14.10606 12.54983 
1 1 1   19   15   21 o  112.667   7.5604   92.416   7.6948   94.302   8.2886   80.648   20.703  117.750   5.1944  107.584   14.201 10.16594 15.12090 
1 1 1   19   15   22 o   63.005   10.019   30.814   5.6419   31.737   5.9740   23.194   17.162   68.230   6.4611   57.780   18.967 10.45005 20.03772 
1 1 1   19   15   23 o  124.269   6.7466  106.007   8.0104  105.968   8.6707  106.234   20.928  124.805   5.1267  123.734   12.481 1.070984 13.49313 
1 1 1   19   15   24 o  152.601   5.9282  141.682   9.0424  133.989   9.7703  187.614   23.874  140.323   5.1380  164.879   10.685 -24.55608 11.85639 
1 1 1   19   15   25 o   54.150   9.5193   10.745   4.8975   7.4827   5.1515   41.406   15.792   33.055   10.348   75.246   15.981 -42.19168 19.03867 
1 1 1   19   15   26 o   28.482   8.8873   1.3951   4.2232   2.2004   4.4043  -7.7957   14.879   23.659   9.3281   33.305   15.130 -9.645752 17.77469 
1 1 1   19   15   27 o   16.021   7.5827  -5.1181   4.3694  -5.1181   4.3694   0.0000   0.0000   16.021   7.5827  ?   ?       ?      ? 
1 1 1   19   15   28 o   66.561   6.5871   30.281   5.9416   30.281   5.9416   0.0000   0.0000   66.561   6.5871  ?   ?       ?      ? 
1 1 1   19   15   29 o  104.875   7.7394   77.584   7.1752   77.981   7.6724   74.814   20.261  106.961   5.2932  102.789   14.546 4.172157 15.47890 
1 1 1   19   15   30 o  138.923   6.2791  126.848   8.5750  124.119   9.2937  142.468   22.238  134.953   5.0819  142.894   11.484 -7.941422 12.55814 
1 1 1   19   15   31 o  106.768   7.3837   83.845   7.2384   85.697   7.8272   72.908   19.022  112.106   5.1522  101.430   13.839 10.67601 14.76736 
1 1 1   19   15   32 o  129.953   6.4375  116.790   8.1603  116.775   8.8759  116.871   20.744  130.863   5.0051  129.043   11.862 1.820847 12.87492 
1 1 1   19   15   33 f  104.363   6.5835   65.137   6.7235   61.038   7.2220   91.789   18.417   94.506   5.6391  114.220   11.898 -19.71349 13.16702 
1 1 1   19   15   34 o   87.976   7.5353   49.647   7.4154   46.453   8.2808   62.581   16.661   82.146   7.4388   93.806   13.107 -11.65981 15.07060 
1 1 1   19   15   35 o   90.629   7.5810   56.178   7.6827   55.075   8.6616   60.248   16.636   89.457   7.1450   91.802   13.373 -2.345352 15.16191 
1 1 1   19   15   36 o  123.549   7.1702  116.282   9.7634  124.849   11.242   89.984   19.696  134.908   6.1491  112.191   12.955 22.71645 14.34043 
1 1 1   19   15   37 o   62.121   9.6620   26.456   6.8449   24.933   7.7137   32.101   14.845   59.718   9.5318   64.524   16.810 -4.805500 19.32404 
1 1 1   19   15   38 o  122.437   6.8295  114.189   8.1963  119.083   9.0412   91.611   19.418  131.942   5.0566  112.931   12.689 19.01143 13.65904 
1 1 1   19   15   39 o   66.494   9.4007   39.325   6.5177   43.661   7.2725   21.631   14.692   79.555   6.7458   53.433   17.550 26.12213 18.80147 
1 1 1   19   15   40 o   25.571   10.352   2.2633   5.5714   2.2633   5.5714   0.0000   0.0000   25.571   10.352  ?   ?       ?      ? 
1 1 1   19   15   41 o   81.542   9.7917   59.375   7.4944   64.954   8.3191   35.346   17.265   97.033   6.3266   66.052   18.533 30.98184 19.58349 
1 1 1   19   15   42 o   45.121   9.6263   16.252   5.9786   18.104   6.6392   8.3074   13.749   49.646   10.209   40.595   16.323 9.050636 19.25260 
1 1 1   19   15   43 o   57.017   17.453   26.154   14.749   0.0000   0.0000   26.154   14.749  ?   ?    57.017   17.453      ?      ? 
1 1 1   19   15   44 o   52.967   17.383   22.341   14.414   0.0000   0.0000   22.341   14.414  ?   ?    52.967   17.383      ?      ? 
1 1 1   19   15   45 o   29.890   13.621  -4.8672   12.176   0.0000   0.0000  -4.8672   12.176  ?   ?    29.890   13.621      ?      ? 
1 1 1   19   15   46 f   60.829   16.925   30.482   14.461   0.0000   0.0000   30.482   14.461  ?   ?    60.829   16.925      ?      ? 
1 1 1   19   15   47 o   83.963   13.798   53.562   15.700   0.0000   0.0000   53.562   15.700  ?   ?    83.963   13.798      ?      ? 
1 1 1   19   15   48 o   72.181   16.275   42.645   15.539   0.0000   0.0000   42.645   15.539  ?   ?    72.181   16.275      ?      ? 
1 1 1   19   16    0 o   88.417   7.2194   55.496   8.3343   42.968   12.585   65.283   11.123   79.047   11.748   97.787   8.3938 -18.73929 14.43879 
1 1 1   19   16    1 f   88.439   6.9776   53.360   8.2995   55.136   12.618   52.006   11.018   89.681   10.383   87.197   9.3248 2.484482 13.95520 
1 1 1   19   16    2 o  137.482   5.8306  129.402   10.698  126.826   16.547  131.251   14.023  136.209   8.9647  138.754   7.4579 -2.544601 11.66127 
1 1 1   19   16    3 o  184.729   7.1510  232.545   17.901   0.0000   0.0000  232.545   17.901  ?   ?   184.729   7.1510      ?      ? 
1 1 1   19   16    4 o  206.385   7.1066  290.272   19.876   0.0000   0.0000  290.272   19.876  ?   ?   206.385   7.1066      ?      ? 
1 1 1   19   16    5 o  223.214   5.6368  335.482   16.661  361.242   26.975  319.593   21.185  229.901   8.6582  216.527   7.2200 13.37422 11.27357 
1 1 1   19   16    6 o  209.788   4.9588  299.564   14.076  293.474   19.305  306.478   20.569  207.539   6.8642  212.036   7.1584 -4.496765 9.917647 
1 1 1   19   16    7 f  143.140   5.0143  138.612   9.6751  129.937   12.901  149.763   14.627  138.085   6.8941  148.196   7.2833 -10.11140 10.02870 
1 1 1   19   16    8 o   96.900   8.0785   60.724   7.2222   59.357   7.7247   70.218   20.357   93.382   6.1043  100.418   14.959 -7.036751 16.15692 
1 1 1   19   16    9 o  119.444   7.6609  111.432   8.4402  117.425   9.2173   80.317   21.002  131.422   5.1755  107.465   14.421 23.95612 15.32178 
1 1 1   19   16   10 o  103.872   7.9178   75.564   7.5036   76.031   8.0653   72.556   20.465  105.712   5.6301  102.033   14.801 3.679253 15.83560 
1 1 1   19   16   11 f  140.332   6.7398  131.906   9.1225  130.587   9.8696  139.637   23.902  138.570   5.2559  142.093   12.413 -3.523148 13.47968 
1 1 1   19   16   12 o  135.653   7.0317  131.357   9.0499  133.492   9.8248  119.404   23.250  140.102   5.1748  131.203   13.077 8.899414 14.06347 
1 1 1   19   16   13 o  148.904   6.5093  145.026   9.4518  142.053   10.225  162.475   24.774  144.511   5.2214  153.297   11.926 -8.785400 13.01857 
1 1 1   19   16   14 o  115.188   7.1844   89.994   7.8402   89.483   8.4612   93.099   20.850  114.667   5.4451  115.710   13.297 -1.042183 14.36886 
1 1 1   19   16   15 o  179.638   6.2121  219.363   11.288  218.418   12.364  224.095   27.657  179.186   5.0919  180.090   11.333 -0.9048309 12.42414 
1 1 1   19   16   16 o  133.397   6.5485  118.692   8.5603  117.141   9.2875  127.447   22.069  131.200   5.2237  135.594   12.010 -4.393936 13.09704 
1 1 1   19   16   17 o  123.099   6.6282   90.199   7.8660   84.985   8.4269  125.504   21.927  111.706   5.5668  134.491   12.031 -22.78418 13.25649 
1 1 1   19   16   18 o  145.469   5.1333  144.035   10.119  144.035   10.119   0.0000   0.0000  145.469   5.1333  ?   ?       ?      ? 
1 1 1   19   16   19 o  210.271   5.1388  301.007   14.643  301.007   14.643   0.0000   0.0000  210.271   5.1388  ?   ?       ?      ? 
1 1 1   19   16   20 o  120.849   5.3909   99.497   8.8286   99.497   8.8286   0.0000   0.0000  120.849   5.3909  ?   ?       ?      ? 
1 1 1   19   16   21 o  121.070   5.3634   99.880   8.7994   99.880   8.7994   0.0000   0.0000  121.070   5.3634  ?   ?       ?      ? 
1 1 1   19   16   22 o   75.270   10.035   55.326   6.6248   60.790   7.1434   21.744   17.709   94.416   5.5831   56.124   19.277 38.29133 20.06952 
1 1 1   19   16   23 o  133.477   6.3080  113.915   8.4046  109.936   9.1147  136.504   21.718  126.992   5.2964  139.962   11.450 -12.97024 12.61600 
1 1 1   19   16   24 o   96.520   7.1545   55.100   6.6452   51.591   7.1115   79.258   18.659   86.899   6.0390  106.141   12.972 -19.24229 14.30900 
1 1 1   19   16   25 f   87.260   8.2020   55.173   6.3377   55.669   6.8331   52.115   16.954   90.306   5.5836   84.215   15.424 6.090714 16.40398 
1 1 1   19   16   26 o   92.882   7.4511   59.018   6.4807   58.607   6.9801   61.590   17.447   92.642   5.5599   93.121   13.826 -0.4791260 14.90217 
1 1 1   19   16   27 o   71.841   8.6681   33.660   5.5742   32.506   5.9542   41.842   15.857   68.891   6.3779   74.791   16.120 -5.899986 17.33622 
1 1 1   19   16   28 o  106.392   7.0132   80.113   7.1219   80.685   7.7278   76.889   18.347  108.704   5.2460  104.079   13.009 4.624947 14.02646 
1 1 1   19   16   29 o   98.887   7.0727   64.954   6.7208   63.619   7.2537   73.054   17.865   96.458   5.5493  101.317   13.012 -4.858742 14.14547 
1 1 1   19   16   30 o  109.229   6.8129   79.237   7.2257   77.563   7.8149   89.105   18.970  106.502   5.4148  111.956   12.504 -5.454048 13.62576 
1 1 1   19   16   31 o  129.848   6.5397  121.459   8.3207  123.410   9.1024  111.545   20.523  134.400   4.9977  125.295   12.087 9.105057 13.07937 
1 1 1   19   16   32 o   64.931   8.4371   24.718   5.1916   22.500   5.5560   39.987   14.576   57.109   7.1792   72.754   15.271 -15.64578 16.87414 
1 1 1   19   16   33 o   43.873   9.4558   12.991   4.6674   12.902   4.9796   13.640   13.394   42.253   8.9737   45.493   16.647 -3.240154 18.91155 
1 1 1   19   16   34 o   40.222   9.3110   10.997   4.5679   11.282   4.8706   8.9129   13.163   39.385   9.2783   41.059   16.146 -1.673710 18.62205 
1 1 1   19   16   35 o   50.920   9.5839   18.885   5.4559   19.053   5.9084   17.908   14.217   52.272   8.3410   49.568   17.258 2.703300 19.16783 
1 1 1   19   16   36 o   56.609   9.4611   20.421   5.6724   18.385   6.1935   31.018   14.128   50.375   9.4192   62.843   16.411 -12.46833 18.92227 
1 1 1   19   16   37 o   47.892   9.9061   15.583   5.5273   14.752   6.0355   19.902   13.762   44.758   10.181   51.027   16.997 -6.268555 19.81223 
1 1 1   19   16   38 o   96.665   7.7735   65.419   9.7119   61.601   11.916   72.971   16.760   93.302   9.4247  100.027   12.365 -6.725082 15.54699 
1 1 1   19   16   39 o   48.897   16.781   18.221   13.419   0.0000   0.0000   18.221   13.419  ?   ?    48.897   16.781      ?      ? 
1 1 1   19   16   40 o   36.161   15.364   3.4973   13.132   0.0000   0.0000   3.4973   13.132  ?   ?    36.161   15.364      ?      ? 
1 1 1   19   16   41 o   67.120   16.299   36.413   14.677   0.0000   0.0000   36.413   14.677  ?   ?    67.120   16.299      ?      ? 
1 1 1   19   16   42 o   54.812   16.689   24.533   13.510   0.0000   0.0000   24.533   13.510  ?   ?    54.812   16.689      ?      ? 
1 1 1   19   17    0 o  103.582   8.3125   70.895   9.7465   68.313   10.991   80.401   21.086   99.916   8.1175  107.249   14.509 -7.332703 16.62509 
1 1 1   19   17    1 o  128.404   5.3679  112.354   9.2745  109.920   12.343  115.510   14.056  126.871   7.1792  129.937   7.9824 -3.066498 10.73590 
1 1 1   19   17    2 o  105.921   5.7517   77.665   8.1451   83.760   10.953   70.126   12.182  110.727   7.2999  101.115   8.8904 9.611565 11.50335 
1 1 1   19   17    3 o  135.988   5.1819  126.619   9.4695  128.441   12.656  124.300   14.274  137.180   6.8078  134.795   7.8142 2.385101 10.36377 
1 1 1   19   17    4 o   88.069   6.4019   54.290   7.4727   60.182   9.9637   46.715   11.297   93.782   7.8400   82.357   10.123 11.42529 12.80377 
1 1 1   19   17    5 o  113.035   5.5301   87.792   8.3866   90.152   11.192   84.770   12.664  114.861   7.1907  111.208   8.4036 3.653191 11.06015 
1 1 1   19   17    6 o  115.780   5.4676   91.127   8.4984   87.492   11.183   96.095   13.074  113.129   7.2947  118.430   8.1464 -5.301476 10.93516 
1 1 1   19   17    7 o   68.310   7.8563   30.300   6.8392   24.825   8.3249   41.669   11.996   59.065   10.799   77.555   11.414 -18.48951 15.71255 
1 1 1   19   17    8 o   92.502   7.6717   58.580   9.6167   58.580   9.6167   0.0000   0.0000   92.502   7.6717  ?   ?       ?      ? 
1 1 1   19   17    9 f  103.614   7.3368   73.454   10.302   73.454   10.302   0.0000   0.0000  103.614   7.3368  ?   ?       ?      ? 
1 1 1   19   17   10 o  124.705   6.9980  106.336   11.826  106.336   11.826   0.0000   0.0000  124.705   6.9980  ?   ?       ?      ? 
1 1 1   19   17   11 o  113.212   5.6155   87.372   8.6152   87.372   8.6152   0.0000   0.0000  113.212   5.6155  ?   ?       ?      ? 
1 1 1   19   17   12 o   60.205   9.8029   34.159   6.2065   37.780   6.6357   8.8549   17.543   74.352   6.5859   46.059   18.467 28.29284 19.60576 
1 1 1   19   17   13 o  104.990   8.2480   84.570   7.8603   87.796   8.5240   66.235   20.319  113.474   5.5433   96.506   15.537 16.96751 16.49608 
1 1 1   19   17   14 o  130.583   6.9033  116.833   8.7535  116.379   9.5023  119.379   22.498  130.658   5.3667  130.509   12.721 0.1484833 13.80651 
1 1 1   19   17   15 o   46.584   10.802   11.075   5.4492   9.7245   5.7662   22.351   16.662   37.035   10.814   56.132   18.702 -19.09698 21.60354 
1 1 1   19   17   16 o   53.117   8.7720   28.344   5.7100   32.938   6.1102  -3.3244   16.042   69.388   6.4981   36.845   16.296 32.54240 17.54394 
1 1 1   19   17   17 o   71.286   10.111   47.807   6.4675   51.805   6.9377   21.282   17.871   87.083   5.8790   55.489   19.347 31.59374 20.22099 
1 1 1   19   17   18 f  131.865   6.6424  117.994   8.6436  116.897   9.4052  123.955   21.927  130.894   5.3023  132.837   12.181 -1.943619 13.28483 
1 1 1   19   17   19 f  143.609   6.4401  136.045   9.1648  133.032   9.9516  152.873   23.516  139.623   5.2596  147.596   11.757 -7.973495 12.88029 
1 1 1   19   17   20 o   64.056   9.6341   41.086   6.1834   45.717   6.6379   10.702   17.003   81.747   5.9921   46.364   18.313 35.38296 19.26813 
1 1 1   19   17   21 o   78.838   8.4318   37.707   6.1383   35.264   6.5632   54.768   17.344   71.683   6.7564   85.993   15.451 -14.31046 16.86368 
1 1 1   19   17   22 o  105.868   7.4622   81.096   7.4491   82.252   8.0808   74.561   19.219  109.701   5.4357  102.035   13.899 7.666550 14.92431 
1 1 1   19   17   23 o  106.835   7.0236   76.098   7.2527   74.598   7.8393   85.013   19.109  104.433   5.5393  109.236   12.909 -4.802895 14.04717 
1 1 1   19   17   24 o   27.188   12.836 -21.1513   5.5540 -23.3223   6.2145 -12.5356   12.380  ?   ?    27.188   12.836      ?      ? 
1 1 1   19   17   25 o   73.866   7.7766   27.944   5.6763   23.988   6.0531   56.783   16.344   58.928   7.5800   88.805   13.581 -29.87641 15.55319 
1 1 1   19   17   26 o   92.431   7.7835   59.768   6.6618   59.543   7.1708   61.184   18.003   93.209   5.6771   91.654   14.495 1.554985 15.56697 
1 1 1   19   17   27 o   79.456   8.6503   43.928   6.2380   43.208   6.7176   48.441   16.811   79.277   6.2529   79.635   16.131 -0.3580017 17.30052 
1 1 1   19   17   28 o  106.190   7.0536   77.040   8.1714   75.438   9.1294   83.491   18.324  104.666   6.4366  107.714   12.553 -3.047768 14.10723 
1 1 1   19   17   29 o   47.695   8.8214   20.634   5.7848   24.447   6.2837  -0.5524   14.814   59.321   7.8167   36.068   15.817 23.25242 17.64273 
1 1 1   19   17   30 o   52.206   9.8375   20.236   5.9075   20.558   6.4418   18.535   14.816   54.181   8.7735   50.231   17.611 3.949978 19.67508 
1 1 1   19   17   31 o   53.466   9.2610   25.718   5.9667   28.901   6.5275   9.5469   14.714   64.490   7.4692   42.443   16.949 22.04691 18.52205 
1 1 1   19   17   32 o   43.934   8.9334   16.116   5.5347   18.783   6.0074   1.1450   14.235   51.742   8.5677   36.127   15.679 15.61480 17.86679 
1 1 1   19   17   33 o   71.576   9.1532   35.606   6.5577   34.239   7.1761   42.528   16.147   70.076   7.5568   73.076   16.674 -3.000549 18.30640 
1 1 1   19   17   34 o   68.993   17.538   38.822   16.432   0.0000   0.0000   38.822   16.432  ?   ?    68.993   17.538      ?      ? 
1 1 1   19   17   35 o   80.841   15.993   51.747   16.900   0.0000   0.0000   51.747   16.900  ?   ?    80.841   15.993      ?      ? 
1 1 1   19   17   36 o  106.284   12.980   84.094   18.695   0.0000   0.0000   84.094   18.695  ?   ?   106.284   12.980      ?      ? 
1 1 1   19   18    0 o  155.337   5.1245  166.706   10.690  178.893   14.543  152.382   15.766  161.706   6.6365  148.969   7.8101 12.73740 10.24892 
1 1 1   19   18    1 o  131.106   5.3836  115.989   9.4828  102.029   12.477  135.081   14.591  121.937   7.5508  140.275   7.6758 -18.33820 10.76718 
1 1 1   19   18    2 o   74.643   7.1247   38.578   7.0694   38.396   9.1454   38.848   11.143   74.588   9.0480   74.699   11.008 -0.1110611 14.24950 
1 1 1   19   18    3 o  103.421   5.8131   73.537   8.0545   73.157   10.612   74.053   12.371  103.224   7.5863  103.618   8.8100 -0.3936462 11.62624 
1 1 1   19   18    4 o  176.826   7.3018  236.979   14.614  258.012   17.070  179.272   28.275  194.178   6.4872  159.474   13.084 34.70370 14.60364 
1 1 1   19   18    5 o  146.512   7.3062  151.030   12.082  152.626   13.769  145.690   25.191  149.255   6.8078  143.770   12.930 5.484024 14.61250 
1 1 1   19   18    6 o   71.632   10.609   37.669   8.2103   37.947   9.1525   36.522   18.579   74.082   9.1168   69.183   19.161 4.899551 21.21898 
1 1 1   19   18    7 o   70.013   7.8110   32.482   6.6947   14.066   8.4614   63.306   10.947   44.221   13.151   95.805   8.4319 -51.58421 15.62200 
1 1 1   19   18    8 o  115.896   7.4032   97.403   8.2076   99.141   8.9365   88.032   20.749  120.497   5.4728  111.294   13.758 9.202515 14.80637 
1 1 1   19   18    9 o  115.948   7.2205   92.349   8.0323   91.822   8.6962   95.406   20.959  115.941   5.5349  115.955   13.338 -0.1308441E-01 14.44101 
1 1 1   19   18   10 o  103.354   8.9003   87.821   7.9057   92.858   8.6120   60.837   19.934  116.595   5.4506   90.114   16.946 26.48104 17.80056 
1 1 1   19   18   11 o   85.717   7.8220   44.656   6.5298   41.966   7.0126   62.199   17.907   78.220   6.6158   93.214   14.176 -14.99385 15.64396 
1 1 1   19   18   12 o   38.014   8.9417   10.892   5.2189   13.553   5.5573  -8.9794   15.186   43.321   9.7071   32.708   15.020 10.61230 17.88339 
1 1 1   19   18   13 o   35.413   10.064   2.2555   5.0182   0.7587   5.3274   14.037   14.946   23.542   9.8821   47.283   17.536 -23.74122 20.12881 
1 1 1   19   18   14 o   42.256   10.264   10.700   5.1484   10.455   5.4564   12.687   15.543   38.023   10.324   46.489   17.742 -8.466740 20.52718 
1 1 1   19   18   15 o   90.576   8.0434   54.307   8.4298   51.204   9.5650   65.102   17.839   86.008   8.2066   95.145   13.836 -9.137535 16.08672 
1 1 1   19   18   16 f   74.103   9.8080   43.090   7.9843   45.651   9.1400   34.838   16.404   81.157   8.3107   67.049   17.768 14.10779 19.61598 
1 1 1   19   18   17 o   60.885   10.296   31.093   7.5588   34.456   8.4926   18.275   16.581   70.356   8.9075   51.414   18.566 18.94233 20.59205 
1 1 1   19   18   18 o  103.069   7.5413   69.876   8.9868   65.574   10.184   85.012   19.102   97.344   7.7203  108.794   12.957 -11.44988 15.08257 
1 1 1   19   18   19 o  132.024   7.7123  145.974   9.3754  157.725   10.346   92.018   22.170  151.860   5.0275  112.188   14.582 39.67225 15.42468 
1 1 1   19   18   20 o  111.549   6.9706   72.288   8.3820   63.861   9.1669  115.277   20.703   96.167   7.0342  126.930   12.036 -30.76257 13.94112 
1 1 1   19   18   21 o   62.593   9.8197   30.479   6.3415   31.291   6.9249   26.261   15.785   67.179   7.6067   58.006   18.106 9.173592 19.63930 
1 1 1   19   18   22 o   60.560   9.8533   25.331   6.2320   24.375   6.7873   30.469   15.731   59.096   8.4753   62.024   17.791 -2.927765 19.70656 
1 1 1   19   18   23 o   62.855   9.8000   27.149   6.3028   26.020   6.8539   33.340   16.042   61.061   8.2831   64.650   17.764 -3.589550 19.59991 
1 1 1   19   18   24 o   67.026   9.4895   31.579   6.3899   30.631   6.9733   36.543   15.959   66.333   7.7575   67.718   17.321 -1.385513 18.97897 
1 1 1   19   18   25 o   51.518   10.051   13.117   5.7193   9.2818   6.1870   35.651   14.996   35.952   11.353   67.083   16.589 -31.13063 20.10184 
1 1 1   19   18   26 o   49.701   10.028   18.339   5.7509   18.457   6.2249   17.650   15.024   50.356   9.4699   49.046   17.679 1.309490 20.05535 
1 1 1   19   18   27 f   60.313   9.5967   34.785   6.4923   39.005   7.0981   13.181   16.061   74.929   6.9905   45.697   17.875 29.23145 19.19333 
1 1 1   19   18   28 o   40.252   10.581   8.7226   6.4604   6.7853   7.2261   16.439   14.421   33.061   12.207   47.442   17.286 -14.38098 21.16188 
1 1 1   19   18   29 o   48.481   17.889   17.374   15.515   0.0000   0.0000   17.374   15.515  ?   ?    48.481   17.889      ?      ? 
1 1 1   19   18   30 o   44.161   16.882   13.166   14.088   0.0000   0.0000   13.166   14.088  ?   ?    44.161   16.882      ?      ? 
1 1 1   19   19    0 o   95.998   6.0210   64.703   7.7044   69.452   10.271   58.592   11.650  100.312   7.5558   91.684   9.3767 8.627991 12.04210 
1 1 1   19   19    1 o   89.596   6.3079   53.750   7.5044   42.192   9.6600   71.343   11.918   77.837   9.1582  101.356   8.6769 -23.51952 12.61586 
1 1 1   19   19    2 o   54.562   8.9809   21.353   6.3840   18.779   8.0989   25.576   10.374   50.480   12.013   58.644   13.353 -8.164459 17.96186 
1 1 1   19   19    3 o   37.998   9.4031   8.9751   5.8197   7.1259   7.3121   12.171   9.6126   34.058   12.324   41.938   14.205 -7.880795 18.80611 
1 1 1   19   19    4 o   51.497   13.782   19.823   9.8077   0.0000   0.0000   19.823   9.8077  ?   ?    51.497   13.782      ?      ? 
1 1 1   19   19    5 o   49.914   8.7570   16.337   6.1131   8.4262   7.6995   29.829   10.055   36.020   12.690   63.809   12.070 -27.78816 17.51394 
1 1 1   19   19    6 o   41.686   8.7888   9.8689   5.7564   2.8022   7.2288   22.116   9.5166   28.916   11.761   54.456   13.064 -25.54033 17.57767 
1 1 1   19   19    7 o   59.581   10.262   20.407   6.9783   15.418   7.7574   41.570   15.976   45.645   12.275   73.516   16.448 -27.87118 20.52301 
1 1 1   19   19    8 o   74.388   8.7277   33.291   6.2223   30.453   6.6864   51.636   16.998   66.348   7.4367   82.428   15.792 -16.08004 17.45534 
1 1 1   19   19    9 o   71.769   10.002   43.238   7.1861   46.081   7.9325   30.226   16.970   81.657   7.1686   61.881   18.674 19.77522 20.00300 
1 1 1   19   19   10 o   66.503   9.8468   34.528   6.8501   35.604   7.5739   29.693   16.057   71.625   7.8031   61.380   18.082 10.24518 19.69362 
1 1 1   19   19   11 o   63.078   10.365   32.882   8.5574   38.364   10.288   20.577   15.415   73.662   10.307   52.493   17.987 21.16842 20.73079 
1 1 1   19   19   12 o   76.816   9.5810   39.409   9.1992   32.421   10.921   56.482   17.070   66.062   12.660   87.570   14.385 -21.50771 19.16194 
1 1 1   19   19   13 o   54.515   9.7765   25.907   8.0205   33.744   9.4065   5.0325   15.351   69.076   10.049   39.953   16.773 29.12262 19.55302 
1 1 1   19   19   14 o   35.749   9.4058   8.2287   5.4313   9.9377   5.8819  -1.6609   14.150   36.955   10.959   34.542   15.290 2.412949 18.81156 
1 1 1   19   19   15 o   27.534   8.4278   1.3068   5.0488   3.8142   5.4428 -14.1542   13.515   27.286   10.478   27.782   13.203 -0.4962540 16.85565 
1 1 1   19   19   16 o   49.767   10.054   18.569   6.0182   18.821   6.6008   17.327   14.651   50.746   9.9543   48.788   17.471 1.957783 20.10789 
1 1 1   19   19   17 o   69.957   9.9027   39.335   6.9289   40.675   7.6122   32.859   16.733   76.475   7.3453   63.440   18.393 13.03582 19.80546 
1 1 1   19   19   18 o   53.040   10.290   18.100   6.0310   16.153   6.5694   28.542   15.211   46.662   10.627   59.419   17.624 -12.75647 20.58007 
1 1 1   19   19   19 o   67.998   9.7438   39.558   6.7040   42.159   7.3921   27.505   15.912   77.886   7.0036   58.110   18.186 19.77600 19.48770 
1 1 1   19   19   20 o   61.827   9.8192   33.707   6.4718   36.308   7.0800   20.491   15.960   72.187   7.2376   51.468   18.256 20.71865 19.63838 
1 1 1   19   19   21 o   45.433   9.0997   17.443   5.7307   20.025   6.2564   3.9866   14.283   53.258   8.6688   37.609   16.002 15.64872 18.19942 
1 1 1   19   19   22 o   46.611   10.434   9.9259   5.7639   6.3702   6.2220   31.441   15.305   31.495   11.373   61.726   17.496 -30.23064 20.86749 
1 1 1   19   20    0 o   50.895   14.225   19.864   10.191   0.0000   0.0000   19.864   10.191  ?   ?    50.895   14.225      ?      ? 
1 1 1   19   20    1 o   21.281   10.245 -12.0780   8.7295   0.0000   0.0000 -12.0780   8.7295  ?   ?    21.281   10.245      ?      ? 
1 1 1   19   20    2 o   58.524   8.5112   27.047   7.1045   44.809   9.8828   8.0527   10.220   79.707   9.1496   37.341   14.354 42.36597 17.02231 
1 1 1   19   20    3 o   63.786   8.9522   31.083   7.8148   12.274   10.776   51.948   11.350   42.021   14.991   85.550   9.7900 -43.52851 17.90432 
1 1 1   19   20    4 o   56.656   9.7791   24.576   7.4425   22.300   10.215   27.151   10.866   53.813   13.907   59.500   13.752 -5.686596 19.55812 
1 1 1   19   20    5 o   33.905   9.3501   3.8244   6.6269  -2.8193   8.9170   12.021   9.9044   26.587   11.928   41.223   14.402 -14.63603 18.70012 
1 1 1   19   20    6 o   35.262   9.4402   5.6442   6.5212  -0.1634   8.7062   13.067   9.8427   28.163   12.242   42.361   14.374 -14.19796 18.88043 
1 1 1   19   20    7 o   44.219   11.111   10.930   7.7014   6.5369   8.9770   23.179   14.988   34.522   13.402   53.916   17.727 -19.39413 22.22297 
1 1 1   19   20    8 o   56.554   10.170   21.715   6.4437   19.683   7.1199   30.917   15.150   51.552   10.547   61.556   17.392 -10.00404 20.34059 
1 1 1   19   20    9 o   52.753   10.173   21.491   6.3160   21.767   6.9399   20.161   15.242   54.566   9.7429   50.940   17.862 3.625202 20.34602 
1 1 1   19   20   10 o   43.524   9.6657   15.513   6.1150   17.902   6.6830   3.2258   15.157   49.126   10.365   37.923   16.318 11.20329 19.33137 
1 1 1   19   20   11 o   65.613   9.9287   39.525   7.1279   43.838   7.9301   21.386   16.264   79.203   7.3884   52.024   18.432 27.17886 19.85733 
1 1 1   19   20   12 o   42.854   10.053   13.937   6.0789   15.034   6.6625   8.4843   14.853   44.695   11.060   41.014   16.790 3.681370 20.10525 
1 1 1   19   20   13 o   75.435   7.5979   39.888   7.7669   39.888   7.7669   0.0000   0.0000   75.435   7.5979  ?   ?       ?      ? 
1 1 1   19   20   14 o   48.876   10.220   17.764   6.5510   17.764   6.5510   0.0000   0.0000   48.876   10.220  ?   ?       ?      ? 
1 1 1   19   20   15 o   52.707   9.5931   20.415   6.5995   20.415   6.5995   0.0000   0.0000   52.707   9.5931  ?   ?       ?      ? 
1 1 1   19   20   16 o   56.595   8.9784   22.815   6.8858   22.815   6.8858   0.0000   0.0000   56.595   8.9784  ?   ?       ?      ? 
1 1 1   19   21    0 o   64.698   10.185   34.698   8.6583   40.028   10.857   25.384   14.351   74.119   10.809   55.277   17.266 18.84225 20.37019 
1 1 1   19   21    1 o   60.808   10.495   26.440   8.5190   17.093   10.490   44.548   14.601   46.644   14.788   74.972   14.896 -28.32841 20.98988 
1 1 1   19   21    2 o   65.175   10.438   32.536   8.7423   28.558   10.907   39.684   14.621   60.366   13.653   69.983   15.792 -9.617611 20.87538 
1 1 1   19   21    3 f  109.440   7.6814   86.464   11.122   82.821   14.162   92.326   17.968  107.242   9.7448  111.638   11.877 -4.396370 15.36282 
1 1 1   19   21    4 o   36.736   10.467   6.6877   7.5504   5.3183   9.1360   9.6383   13.411   33.074   13.303   40.398   16.164 -7.324059 20.93436 
1 1 1   19   21    5 o   81.792   14.732   52.882   15.728   0.0000   0.0000   52.882   15.728  ?   ?    81.792   14.732      ?      ? 
1 1 1   19   21    7 o  100.999   10.707   74.577   14.655   74.577   14.655   0.0000   0.0000  100.999   10.707  ?   ?       ?      ? 
1 1 1   19   21    9 o   48.747   11.030   18.065   7.1162   18.065   7.1162   0.0000   0.0000   48.747   11.030  ?   ?       ?      ? 
1 1 1   19   21   10 o   73.160   8.3016   38.051   8.2303   38.051   8.2303   0.0000   0.0000   73.160   8.3016  ?   ?       ?      ? 
1 1 1   19   22    0 o   56.249   10.505   23.917   8.8760   10.478   11.573   43.115   13.832   39.356   15.234   73.142   14.468 -33.78558 21.00967 
1 1 1   19   22    1 o   44.604   14.930   15.937   10.617   15.937   10.617   0.0000   0.0000   44.604   14.930  ?   ?       ?      ? 
1 1 1   19   22    2 f   59.272   14.485   28.698   11.536   28.698   11.536   0.0000   0.0000   59.272   14.485  ?   ?       ?      ? 
1 1 1   19   22    3 o   33.176   13.660   5.0433   9.9023   5.0433   9.9023   0.0000   0.0000   33.176   13.660  ?   ?       ?      ? 
1 1 1   20    0    3 o  629.057   10.745  2685.23   91.540  2685.23   91.540   0.0000   0.0000  629.057   10.745  629.057   10.745 -0.000000 0.000000 
1 1 1   20    0    4 o   86.930   6.6771   52.116   7.7590   52.116   7.7590   0.0000   0.0000   86.930   6.6771   86.930   6.6771 -0.000000 0.000000 
1 1 1   20    0    6 o  192.213   5.8911  251.087   15.312  251.087   15.312   0.0000   0.0000  192.213   5.8911  192.213   5.8911 -0.000000 0.000000 
1 1 1   20    0    7 o  836.512   13.686  4755.45  154.877  4631.63  214.891  4889.29  223.416  825.191   19.240  847.832   19.469 -0.000000 0.000000 
1 1 1   20    0    8 o  545.710   9.6467  2020.02   71.162  1939.82   97.918  2109.79  103.598  534.243   13.545  557.177   13.740 -0.000000 0.000000 
1 1 1   20    0    9 o  1299.10   20.542 11503.18  361.013 11181.47  500.353 11852.52  521.394  1280.20   28.875  1318.00   29.225 -0.000000 0.000000 
1 1 1   20    0   10 o  667.212   11.280  3020.16  101.735  2893.41  139.789  3162.90  148.342  652.352   15.834  682.072   16.069 -0.000000 0.000000 
1 1 1   20    0   11 o  868.079   14.143  5115.73  165.966  5389.44  242.113  4873.10  227.950  889.947   20.099  846.211   19.903 -0.000000 0.000000 
1 1 1   20    0   12 o  463.102   8.5601  1457.68   53.633  1464.19   75.513  1451.04   76.190  464.159   12.023  462.046   12.188 -0.000000 0.000000 
1 1 1   20    0   13 f  724.086   12.074  3564.06  118.290  3662.06  169.569  3471.16  165.096  733.794   17.073  714.379   17.076 -0.000000 0.000000 
1 1 1   20    0   14 o  834.801   13.654  4737.97  154.180  4602.54  213.519  4885.53  222.867  822.353   19.184  847.249   19.434 -0.000000 0.000000 
1 1 1   20    0   15 o  323.354   6.9522  707.984   30.333  665.144   41.270  758.312   44.732  312.740   9.7595  333.969   9.9038 -0.000000 0.000000 
1 1 1   20    0   16 o  169.188   5.8846  195.605   13.382  197.445   18.326  193.504   19.586  170.099   7.9907  168.278   8.6409 -0.000000 0.000000 
1 1 1   20    0   17 o  189.500   5.9145  243.403   15.068  227.587   20.296  262.826   22.492  182.662   8.2374  196.339   8.4895 -0.000000 0.000000 
1 1 1   20    0   19 o  208.238   5.9778  294.742   16.771  284.685   22.857  306.471   24.684  204.404   8.2828  212.072   8.6216 -0.000000 0.000000 
1 1 1   20    0   20 o  548.915   9.6483  2048.52   71.645  2014.78   99.742  2084.48  102.977  544.255   13.543  553.575   13.746 -0.000000 0.000000 
1 1 1   20    0   21 o  186.363   5.8931  237.547   14.766  246.605   20.336  227.447   21.475  190.214   7.9205  182.512   8.7282 -0.000000 0.000000 
1 1 1   20    0   23 o  347.199   7.1767  820.238   33.690  832.073   47.267  808.016   48.032  349.774   9.9906  344.625   10.306 -0.000000 0.000000 
1 1 1   20    0   24 o  164.509   8.5980  185.059   19.048   0.0000   0.0000  185.059   19.048  164.509   8.5980  164.509   8.5980 -0.000000 0.000000 
1 1 1   20    0   25 o  168.761   8.5957  194.684   19.541   0.0000   0.0000  194.684   19.541  168.761   8.5957  168.761   8.5957 -0.000000 0.000000 
1 1 1   20    0   26 o  500.389   12.878  1704.45   87.196   0.0000   0.0000  1704.45   87.196  500.389   12.878  500.389   12.878 -0.000000 0.000000 
1 1 1   20    0   27 o  217.163   6.0576  322.165   17.719  336.195   24.585  306.998   25.561  222.172   8.1909  212.154   8.9267 -0.000000 0.000000 
1 1 1   20    0   28 o  384.489   7.6221  1000.67   39.525  935.585   53.444  1079.24   58.722  370.752   10.657  398.227   10.900 -0.000000 0.000000 
1 1 1   20    0   30 o  853.596   13.995  4972.30  161.498  5243.25  235.391  4731.34  221.984  875.521   19.863  831.672   19.721 -0.000000 0.000000 
1 1 1   20    0   31 o  407.051   7.8814  1128.11   43.385  1126.54   60.539  1129.77   62.207  406.785   11.000  407.317   11.290 -0.000000 0.000000 
1 1 1   20    0   32 o  160.857   5.9634  176.183   12.837  169.834   17.096  184.390   19.438  157.593   8.0531  164.121   8.7975 -0.000000 0.000000 
1 1 1   20    0   33 o   93.644   8.6034   61.009   10.706   61.009   10.706   0.0000   0.0000   93.644   8.6034   93.644   8.6034 -0.000000 0.000000 
1 1 1   20    0   34 o  324.743   9.7079  718.133   42.635  718.133   42.635   0.0000   0.0000  324.743   9.7079  324.743   9.7079 -0.000000 0.000000 
1 1 1   20    0   35 o  611.778   10.552  2554.24   87.339  2517.55  121.764  2593.11  125.345  607.280   14.816  616.276   15.029 -0.000000 0.000000 
1 1 1   20    0   36 o  531.891   9.4847  1929.67   68.254  1980.60   97.152  1880.02   95.912  538.859   13.323  524.924   13.503 -0.000000 0.000000 
1 1 1   20    0   37 o  237.266   6.2925  384.676   20.115  413.755   28.349  355.191   28.546  246.418   8.5126  228.115   9.2693 -0.000000 0.000000 
1 1 1   20    0   38 o  105.432   6.3953   76.728   8.9317   73.470   11.913   80.911   13.498  102.934   8.6826  107.930   9.3921 -0.000000 0.000000 
1 1 1   20    0   39 o  119.855   6.1710   98.538   9.8621   93.092   13.252  105.298   14.764  116.156   8.5245  123.553   8.9252 -0.000000 0.000000 
1 1 1   20    0   40 f  375.184   7.5874  959.878   38.491  991.561   54.518  928.389   54.351  381.408   10.566  368.960   10.892 -0.000000 0.000000 
1 1 1   20    0   41 o  146.576   6.1921  147.301   12.165  144.915   16.540  150.113   17.954  145.334   8.4641  147.817   9.0403 -0.000000 0.000000 
1 1 1   20    0   42 o  171.508   6.1627  201.435   14.217  202.336   19.606  200.436   20.647  171.967   8.4600  171.049   8.9635 -0.000000 0.000000 
1 1 1   20    0   43 o  263.047   6.5499  472.326   23.266  480.347   32.480  463.873   33.343  265.390   9.0553  260.703   9.4662 -0.000000 0.000000 
1 1 1   20    0   44 o  157.263   6.1907  169.533   13.069  168.365   17.859  170.881   19.176  156.736   8.4648  157.790   9.0358 -0.000000 0.000000 
1 1 1   20    0   45 o  142.576   9.5279  140.069   18.220   0.0000   0.0000  140.069   18.220  142.576   9.5279  142.576   9.5279 -0.000000 0.000000 
1 1 1   20    0   47 o  285.092   9.7337  554.914   37.506   0.0000   0.0000  554.914   37.506  285.092   9.7337  285.092   9.7337 -0.000000 0.000000 
1 1 1   20    0   48 o  129.641   6.4904  116.188   11.240  118.783   15.463  113.280   16.368  131.303   8.7807  127.979   9.5604 -0.000000 0.000000 
1 1 1   20    0   49 o  372.394   7.6511  946.583   38.515  925.834   53.376  969.122   55.630  368.157   10.719  376.630   10.920 -0.000000 0.000000 
1 1 1   20    0   50 f  192.193   6.3257  253.410   16.353  261.373   22.589  244.640   23.705  195.476   8.5649  188.910   9.3113 -0.000000 0.000000 
1 1 1   20    0   51 o  224.105   6.4331  343.043   19.436  334.942   26.656  352.239   28.399  221.311   8.9211  226.899   9.2712 -0.000000 0.000000 
1 1 1   20    0   52 o  155.901   8.7619  166.992   18.377  166.992   18.377   0.0000   0.0000  155.901   8.7619  155.901   8.7619 -0.000000 0.000000 
1 1 1   20    0   53 o   57.609   15.441   27.071   10.417   27.071   10.417   0.0000   0.0000   57.609   15.441   57.609   15.441 -0.000000 0.000000 
1 1 1   20    0   54 o  372.350   7.7047  949.648   38.786  941.500   53.988  958.339   55.757  370.744   10.766  373.956   11.024 -0.000000 0.000000 
1 1 1   20    0   55 o  274.496   6.7900  514.341   25.139  486.691   34.285  546.494   36.970  266.542   9.5194  282.450   9.6847 -0.000000 0.000000 
1 1 1   20    0   56 o  121.969   6.9518  104.834   11.140  120.545   15.480   87.959   16.043  132.090   8.7355  111.849   10.817 -0.000000 0.000000 
1 1 1   20    0   57 o  147.131   6.5648  149.654   12.933  149.924   17.663  149.342   18.990  147.388   8.9179  146.874   9.6361 -0.000000 0.000000 
1 1 1   20    0   58 o  119.375   7.1141  101.296   11.079  117.259   15.254   83.472   16.119  130.157   8.7388  108.593   11.228 -0.000000 0.000000 
1 1 1   20    0   59 o   49.030   11.083   22.827   7.5987   32.475   10.196   10.775   11.396   65.207   12.997   32.853   17.954 -0.000000 0.000000 
1 1 1   20    0   60 o  115.167   7.2784   94.748   10.880  110.459   15.038   77.487   15.761  126.104   8.9015  104.230   11.518 -0.000000 0.000000 
1 1 1   20    0   61 o   60.651   11.297   31.325   8.0238   36.500   10.765   24.856   12.036   69.565   12.661   51.737   18.713 -0.000000 0.000000 
1 1 1   20    0   62 f   92.811   7.8169   61.196   9.3631   52.195   12.564   72.441   14.042   84.689   11.557  100.932   10.529 -0.000000 0.000000 
1 1 1   20    0   63 o   19.784   13.241  -3.0518   9.8470   0.0000   0.0000  -3.0518   9.8470   19.784   13.241   19.784   13.241 -0.000000 0.000000 
1 1 1   20    0   64 o   49.884   18.578   23.657   11.686   0.0000   0.0000   23.657   11.686   49.884   18.578   49.884   18.578 -0.000000 0.000000 
1 1 1   20    0   65 o   66.756   10.881   36.088   8.4514   37.700   11.195   33.951   12.887   70.203   13.107   63.310   17.372 -0.000000 0.000000 
1 1 1   20    0   66 o  100.486   7.7491   71.851   10.176   64.293   13.547   81.638   15.415   94.287   10.992  106.684   10.925 -0.000000 0.000000 
1 1 1   20    0   67 o   37.527   12.303   14.992   7.3813   18.824   9.8652   10.118   11.126   43.762   17.291   31.292   17.507 -0.000000 0.000000 
1 1 1   20    0   68 o  175.763   9.1120  215.942   21.570  215.942   21.570   0.0000   0.0000  175.763   9.1120  175.763   9.1120 -0.000000 0.000000 
1 1 1   20    0   69 o   25.695   15.438   5.4994   9.6915   5.4994   9.6915   0.0000   0.0000   25.695   15.438   25.695   15.438 -0.000000 0.000000 
1 1 1   20    0   70 o   28.830   11.603   8.1503   7.4270   11.500   9.6206   3.2092   11.684   32.447   16.858   25.214   15.948 -0.000000 0.000000 
1 1 1   20    0   71 o   52.906   10.181   28.329   8.3818   45.595   11.090   5.3251   12.801   78.341   11.086   27.472   17.079 -0.000000 0.000000 
1 1 1   20    0   72 o   80.893   10.675   53.661   9.8068   63.585   13.085   40.940   14.814   93.286   10.717   68.499   18.465 -0.000000 0.000000 
1 1 1   20    0   73 o   40.642   12.104   17.362   8.1560   26.254   11.018   6.5846   12.131   53.416   17.234   27.867   17.000 -0.000000 0.000000 
1 1 1   20    0   74 o   51.460   13.290   25.772   8.5925   21.748   11.472   30.915   12.969   45.656   18.758   57.264   18.832 -0.000000 0.000000 
1 1 1   20    0   75 o   35.108   11.716   12.054   7.9628   22.568   10.899   0.0185   11.662   47.446   18.032   22.770   14.964 -0.000000 0.000000 
1 1 1   20    0   76 o   33.213   12.571   12.576   7.9989   15.769   10.968   8.9470   11.691   37.079   18.264   29.347   17.279 -0.000000 0.000000 
1 1 1   20    0   77 o   89.379   9.5408   62.453   10.521   70.070   14.617   54.266   15.155   96.736   11.590   82.022   15.158 -0.000000 0.000000 
1 1 1   20    0   78 o   23.877   15.497   2.0362   11.961   0.0000   0.0000   2.0362   11.961   23.877   15.497   23.877   15.497 -0.000000 0.000000 
1 1 1   20    0   79 o   54.102   12.806   29.999   9.5658   43.417   13.735   17.361   13.330   71.089   16.379   37.114   19.689 -0.000000 0.000000 
1 1 1   20    0   80 o   21.374   10.159  -1.8123   8.2947  -3.9507   11.202   0.7829   12.341   19.693   13.447   23.055   15.232 -0.000000 0.000000 
1 1 1   20    0   81 o   26.190   11.466   5.1543   8.5300   12.117   12.022  -1.9040   12.104   31.107   17.872   21.272   14.370 -0.000000 0.000000 
1 1 1   20    0   82 o   41.302   20.688   23.005   14.170   23.005   14.170   0.0000   0.0000   41.302   20.688   41.302   20.688 -0.000000 0.000000 
1 1 1   20    1    0 o  506.847   6.4389  1741.10   44.211  1781.89   63.521  1702.78   61.572  512.600   9.1445  501.095   9.0674 11.50510 12.87784 
1 1 1   20    1    1 f  929.651   10.605  5862.04  133.502  6070.35  193.363  5672.30  184.546  945.398   15.093  913.904   14.901 31.49451 21.20954 
1 1 1   20    1    2 o  665.411   7.9299  3001.72   71.474  3085.80  102.960  2923.50   99.299  674.395   11.266  656.428   11.163 17.96729 15.85978 
1 1 1   20    1    3 o  643.539   7.7183  2809.68   67.309  2818.73   95.577  2800.77   94.805  644.565   10.942  642.513   10.889 2.052124 15.43670 
1 1 1   20    1    4 o  655.939   11.098  2919.29   98.650  2919.29   98.650   0.0000   0.0000  655.939   11.098  ?   ?       ?      ? 
1 1 1   20    1    5 o  619.059   9.1988  2590.43   72.584  2634.95  126.816  2568.74   88.517  622.796   15.026  615.321   10.616 7.474854 18.39758 
1 1 1   20    1    6 o  283.806   5.7250  549.389   20.772  536.420   35.710  556.021   25.537  281.223   9.3704  286.390   6.5801 -5.167480 11.44998 
1 1 1   20    1    7 o  358.457   6.3707  877.483   29.237  852.988   50.057  890.167   36.020  354.574   10.418  362.340   7.3358 -7.766174 12.74140 
1 1 1   20    1    8 o  313.870   5.5926  668.523   20.567  667.049   41.205  669.012   23.735  313.577   9.6967  314.163   5.5751 -0.5863342 11.18514 
1 1 1   20    1    9 o  176.213   4.1745  210.452   9.9674  213.462   14.207  207.533   13.988  177.454   5.9080  174.972   5.8992 2.481674 8.348905 
1 1 1   20    1   10 o  543.836   6.7735  2004.86   49.899  1944.57   69.423  2069.30   71.772  535.385   9.5687  552.287   9.5897 -16.90234 13.54706 
1 1 1   20    1   11 o  614.160   7.4366  2558.77   61.882  2508.73   86.557  2611.09   88.503  608.021   10.505  620.299   10.529 -12.27789 14.87317 
1 1 1   20    1   12 o  458.313   6.0008  1424.40   37.266  1400.22   52.283  1449.37   53.131  454.360   8.4913  462.266   8.4816 -7.906464 12.00165 
1 1 1   20    1   13 o  483.020   8.8011  1582.64   57.608  1582.64   57.608   0.0000   0.0000  483.020   8.8011  ?   ?       ?      ? 
1 1 1   20    1   14 o  270.824   4.5374  497.130   16.649  482.828   23.335  511.958   23.760  266.857   6.4528  274.791   6.3807 -7.933929 9.074786 
1 1 1   20    1   15 o  572.454   7.0356  2224.00   54.578  2228.80   77.332  2219.23   77.040  573.070   9.9579  571.839   9.9417 1.230286 14.07116 
1 1 1   20    1   16 o  402.647   5.5018  1099.60   30.019  1088.22   42.289  1111.14   42.619  400.548   7.7910  404.745   7.7704 -4.197113 11.00353 
1 1 1   20    1   17 o  237.783   5.3818  388.165   16.301  369.644   28.039  397.621   20.034  233.401   8.8648  242.164   6.1048 -8.763245 10.76355 
1 1 1   20    1   18 o  261.929   5.4606  454.478   18.107  495.729   32.573  436.033   21.782  270.278   8.8934  253.579   6.3386 16.69946 10.92114 
1 1 1   20    1   19 o  272.374   5.5473  489.763   19.118  540.823   34.515  467.166   22.961  282.283   9.0229  262.465   6.4557 19.81763 11.09458 
1 1 1   20    1   20 o  385.302   5.3695  1006.99   28.033  989.527   39.347  1025.00   39.951  381.908   7.6027  388.695   7.5846 -6.786194 10.73903 
1 1 1   20    1   21 o  599.989   7.3080  2445.20   59.417  2428.09   83.664  2462.60   84.398  597.873   10.326  602.104   10.344 -4.231506 14.61601 
1 1 1   20    1   22 o  462.601   6.0168  1452.56   37.717  1440.65   53.091  1464.70   53.593  460.687   8.5042  464.516   8.5138 -3.828766 12.03353 
1 1 1   20    1   23 o  436.946   5.8092  1295.89   34.396  1310.80   48.869  1281.26   48.421  439.436   8.2064  434.455   8.2244 4.981140 11.61834 
1 1 1   20    1   24 o  114.661   4.2095   89.203   6.5372   85.752   9.2415   92.659   9.2484  112.438   6.0652  116.884   5.8389 -4.445587 8.419001 
1 1 1   20    1   25 o  597.559   7.2881  2426.41   59.005  2378.76   82.456  2476.41   84.473  591.553   10.286  603.566   10.328 -12.01270 14.57617 
1 1 1   20    1   26 o  235.298   4.3210  375.592   13.778  375.232   19.450  375.956   19.520  235.185   6.1028  235.411   6.1188 -0.2261200 8.641944 
1 1 1   20    1   27 o  237.544   4.3410  382.392   13.963  362.260   19.412  403.974   20.099  231.071   6.1993  244.018   6.0782 -12.94753 8.681939 
1 1 1   20    1   28 o  138.344   4.9640  133.982   8.8610  145.385   11.245  115.308   14.391  146.395   5.6685  130.294   8.1506 16.10167 9.927947 
1 1 1   20    1   29 o  137.104   5.7703  127.530   10.721  127.530   10.721   0.0000   0.0000  137.104   5.7703  ?   ?       ?      ? 
1 1 1   20    1   30 o  473.150   7.6102  1535.15   45.918  1557.61   56.363  1490.82   79.185  478.723   8.6881  467.577   12.497 11.14578 15.22031 
1 1 1   20    1   31 o  292.958   4.6936  582.617   18.632  591.771   26.410  573.546   26.290  295.252   6.6007  290.664   6.6746 4.588074 9.387143 
1 1 1   20    1   32 o  618.298   7.4977  2603.39   62.820  2622.59   89.166  2584.47   88.519  620.561   10.603  616.034   10.604 4.526672 14.99534 
1 1 1   20    1   33 o  262.917   4.5066  469.284   16.056  474.856   22.726  463.732   22.687  264.477   6.3409  261.356   6.4056 3.121307 9.013261 
1 1 1   20    1   34 o  506.745   6.4453  1747.15   44.260  1740.32   62.432  1754.05   62.756  505.750   9.1094  507.739   9.1208 -1.988403 12.89067 
1 1 1   20    1   35 o  223.486   6.1023  339.082   18.481   0.0000   0.0000  339.082   18.481  ?   ?   223.486   6.1023      ?      ? 
1 1 1   20    1   36 o  196.035   5.9654  260.899   15.847   0.0000   0.0000  260.899   15.847  ?   ?   196.035   5.9654      ?      ? 
1 1 1   20    1   37 o  112.072   5.1911   86.659   7.5319   80.836   12.450   90.021   9.4592  109.002   8.4284  115.142   6.0623 -6.139771 10.38221 
1 1 1   20    1   38 o  410.743   6.8248  1134.50   35.709  1193.68   62.940  1106.40   43.364  418.165   11.107  403.322   7.9341 14.84290 13.64966 
1 1 1   20    1   39 o  214.111   4.3111  311.228   12.503  324.708   17.861  298.278   17.508  218.660   6.0279  209.561   6.1650 9.098923 8.622200 
1 1 1   20    1   40 o  551.170   6.9002  2069.82   51.519  2133.90   74.084  2009.81   71.692  559.420   9.7724  542.920   9.7443 16.49976 13.80041 
1 1 1   20    1   41 o  269.116   4.6566  492.164   16.981  489.224   23.875  495.174   24.158  268.305   6.5664  269.927   6.6045 -1.622101 9.313223 
1 1 1   20    1   42 o  249.464   9.3537  424.336   31.621   0.0000   0.0000  424.336   31.621  ?   ?   249.464   9.3537      ?      ? 
1 1 1   20    1   43 o  284.723   5.9145  549.620   21.309  559.350   37.747  545.069   25.816  286.300   9.7291  283.146   6.7281 3.154816 11.82890 
1 1 1   20    1   44 o  298.678   4.8470  605.123   19.588  653.136   28.464  561.927   26.998  309.917   6.7775  287.440   6.9311 22.47650 9.694028 
1 1 1   20    1   45 o  297.854   4.8416  603.407   19.541  614.184   27.708  592.744   27.561  300.507   6.8041  295.201   6.8897 5.305786 9.683184 
1 1 1   20    1   46 o  199.645   6.2357  270.955   16.871   0.0000   0.0000  270.955   16.871  ?   ?   199.645   6.2357      ?      ? 
1 1 1   20    1   47 o  169.772   4.3684  195.949   10.049  191.922   14.173  200.020   14.250  168.013   6.2250  171.530   6.1304 -3.516846 8.736886 
1 1 1   20    1   48 o  347.884   5.1995  824.002   24.510  839.867   34.891  808.546   34.437  351.195   7.3313  344.574   7.3750 6.620911 10.39895 
1 1 1   20    1   49 o  149.206   9.0429  152.055   18.284  152.055   18.284   0.0000   0.0000  149.206   9.0429  ?   ?       ?      ? 
1 1 1   20    1   50 o   97.282   7.1559   64.468   9.4337   64.468   9.4337   0.0000   0.0000   97.282   7.1559  ?   ?       ?      ? 
1 1 1   20    1   51 o  204.382   4.4707  284.259   12.369  302.194   17.654  266.965   17.336  210.733   6.1819  198.030   6.4600 12.70288 8.941365 
1 1 1   20    1   52 o  128.952   6.5801  113.267   11.499   0.0000   0.0000  113.267   11.499  ?   ?   128.952   6.5801      ?      ? 
1 1 1   20    1   53 f  166.014   4.4762  187.743   10.070  188.505   14.224  186.979   14.259  166.354   6.3095  165.673   6.3510 0.6806183 8.952331 
1 1 1   20    1   54 o   93.990   5.2037   60.321   6.6272   59.115   9.3032   61.564   9.4428   93.034   7.3792   94.945   7.3391 -1.910950 10.40744 
1 1 1   20    1   55 o  223.314   5.5832  346.054   16.035  325.673   26.931  357.247   19.958  217.774   9.1256  228.853   6.4353 -11.07915 11.16646 
1 1 1   20    1   56 o  215.522   5.6131  325.861   15.551  292.639   25.778  344.867   19.498  206.260   9.2225  224.784   6.4008 -18.52454 11.22612 
1 1 1   20    1   57 o  109.321   4.9260   81.766   7.2932   78.215   10.279   85.367   10.350  106.910   7.0949  111.731   6.8355 -4.820976 9.851996 
1 1 1   20    1   58 f   53.968   7.5315   20.948   5.3696   13.431   7.5010   28.849   7.6900   43.226   12.247   64.710   8.7695 -21.48419 15.06297 
1 1 1   20    1   59 o   84.541   5.5524   49.221   6.3093   57.488   9.0639   41.449   8.7878   91.521   7.3082   77.560   8.3610 13.96132 11.10481 
1 1 1   20    1   60 o  109.493   6.2629   83.349   8.5932   81.827   15.325   84.048   10.378  108.320   10.440  110.666   6.9203 -2.345451 12.52571 
1 1 1   20    1   61 o  107.630   6.3174   80.259   8.5443   80.606   15.247   80.100   10.316  107.329   10.483  107.931   7.0534 -0.6022415 12.63485 
1 1 1   20    1   62 o  115.524   4.9488   91.875   7.7375   85.804   10.842   98.176   11.046  111.590   7.1697  119.459   6.8234 -7.868492 9.897630 
1 1 1   20    1   63 o   69.593   6.3398   33.796   5.9543   29.992   8.3252   37.780   8.5194   65.487   9.3811   73.699   8.5303 -8.212021 12.67955 
1 1 1   20    1   64 o   73.821   6.1316   38.083   6.1200   35.097   8.6330   41.101   8.6770   70.826   8.9947   76.816   8.3356 -5.990891 12.26323 
1 1 1   20    1   65 o  176.942   4.6564  216.190   11.164  211.461   15.696  221.031   15.881  174.966   6.6199  178.917   6.5501 -3.951233 9.312789 
1 1 1   20    1   66 o   94.790   7.7546   62.668   9.9610   62.668   9.9610   0.0000   0.0000   94.790   7.7546  ?   ?       ?      ? 
1 1 1   20    1   67 f  106.988   5.2841   79.609   7.6462   73.343   10.502   86.679   11.155  102.485   7.5615  111.491   7.3830 -9.005638 10.56815 
1 1 1   20    1   68 f   88.068   5.6358   54.479   6.7229   52.275   9.4425   56.745   9.5742   86.218   8.0817   89.919   7.8572 -3.700592 11.27169 
1 1 1   20    1   69 o  120.519   5.0087  101.573   8.1643  109.125   11.582   94.114   11.510  125.103   6.8318  115.935   7.3265 9.167839 10.01750 
1 1 1   20    1   70 o  111.560   5.2146   87.463   7.8666   80.993   11.112   93.963   11.138  107.275   7.6439  115.845   7.0949 -8.569939 10.42911 
1 1 1   20    1   71 f   61.676   8.6635   27.972   6.8048   34.985   11.312   23.994   8.5185   67.249   12.882   56.102   11.588 11.14741 17.32705 
1 1 1   20    1   72 o   46.250   8.6969   16.676   5.5519   17.690   7.8664   15.670   7.8368   47.691   12.140   44.809   12.456 2.881340 17.39386 
1 1 1   20    1   73 o   37.955   8.8977   10.828   5.3824   12.549   7.5257   9.0265   7.7011   40.292   12.490   35.619   12.676 4.673122 17.79548 
1 1 1   20    1   74 o   58.908   7.7726   26.185   6.0580   22.946   8.4652   29.586   8.6732   54.326   11.833   63.490   10.081 -9.163612 15.54517 
1 1 1   20    1   75 o   60.757   7.7056   27.966   6.1985   26.593   8.8781   29.271   8.6579   58.557   11.598   62.958   10.148 -4.400806 15.41125 
1 1 1   20    1   76 o   41.177   9.2064   7.7930   6.3889   27.633   11.411  -1.2662   7.7108   57.327   14.638   25.027   11.170 32.29996 18.41276 
1 1 1   20    1   77 o   29.338   8.5531   3.5607   5.5817   0.9981   7.8933   6.1238   7.8942   26.925   11.680   31.752   12.498 -4.827087 17.10620 
1 1 1   20    1   78 o   32.966   8.8504   6.0898   5.9557  -0.7140   8.4009   12.964   8.4444   26.140   11.664   39.791   13.315 -13.65052 17.70076 
1 1 1   20    1   79 o   44.607   9.5765   17.179   6.3777   14.491   9.3381   19.530   8.7312   41.210   14.000   48.004   13.070 -6.793625 19.15304 
1 1 1   20    1   80 o   29.191   12.425   3.5048   8.6163   3.5048   8.6163   0.0000   0.0000   29.191   12.425  ?   ?       ?      ? 
1 1 1   20    1   81 o   47.954   10.981   22.168   7.9545   22.091   9.6488   22.331   14.054   49.443   13.849   46.466   17.044 2.977608 21.96134 
1 1 1   20    1   82 o   27.631   8.1398  -0.4411   5.9896 -12.3847   8.5776   10.925   8.3675   19.638   9.6122   35.624   13.139 -15.98655 16.27960 
1 1 1   20    2    0 o  935.214   13.077  5946.31  156.080  5952.14  270.891  5943.42  190.964  934.986   21.380  935.443   15.064 -0.4570923 26.15407 
1 1 1   20    2    1 o  512.665   7.9327  1766.01   51.496  1831.44   91.552  1735.73   62.283  519.424   13.007  505.906   9.0849 13.51758 15.86530 
1 1 1   20    2    2 o  409.486   6.8153  1125.03   35.298  1171.32   62.951  1103.81   42.631  415.490   11.180  403.482   7.7968 12.00833 13.63057 
1 1 1   20    2    3 o  1016.32   14.111  7021.32  182.850  7056.83  318.227  7003.82  223.413  1017.46   23.080  1015.17   16.240 2.284790 28.22101 
1 1 1   20    2    4 o  917.484   12.079  5713.31  150.183   0.0000   0.0000  5713.31  150.183  ?   ?   917.484   12.079      ?      ? 
1 1 1   20    2    5 o  496.879   7.3189  1673.91   49.281   0.0000   0.0000  1673.91   49.281  ?   ?   496.879   7.3189      ?      ? 
1 1 1   20    2    6 o  442.885   6.7619  1329.78   40.583   0.0000   0.0000  1329.78   40.583  ?   ?   442.885   6.7619      ?      ? 
1 1 1   20    2    7 o  467.148   7.0130  1479.56   44.396   0.0000   0.0000  1479.56   44.396  ?   ?   467.148   7.0130      ?      ? 
1 1 1   20    2    8 o  776.411   10.461  4090.39  110.065   0.0000   0.0000  4090.39  110.065  ?   ?   776.411   10.461      ?      ? 
1 1 1   20    2    9 o  425.829   6.5888  1229.36   38.021   0.0000   0.0000  1229.36   38.021  ?   ?   425.829   6.5888      ?      ? 
1 1 1   20    2   10 o  585.156   8.2718  2296.46   56.227  2378.97  115.129  2270.61   64.435  591.695   14.358  578.618   8.2176 13.07709 16.54356 
1 1 1   20    2   11 o  1076.47   12.171  7879.51  177.475  8072.44  255.283  7699.04  246.902  1089.19   17.296  1063.75   17.128 25.44568 24.34128 
1 1 1   20    2   12 o  709.037   8.3656  3413.39   80.379  3401.23  113.416  3425.65  113.934  707.770   11.825  710.305   11.837 -2.535156 16.73118 
1 1 1   20    2   13 o  217.448   4.2773  320.563   12.601  312.323   17.765  328.907   17.878  214.635   6.1078  220.262   5.9895 -5.626938 8.554503 
1 1 1   20    2   14 o  573.037   7.0380  2228.53   54.653  2229.62   77.331  2227.43   77.251  573.178   9.9559  572.896   9.9505 0.2813721 14.07598 
1 1 1   20    2   15 o  808.826   9.3675  4445.07  102.663  4381.90  143.895  4510.56  146.516  802.979   13.224  814.673   13.271 -11.69427 18.73510 
1 1 1   20    2   16 o  735.716   8.6503  3675.14   86.212  3767.69  123.952  3588.41  119.989  744.675   12.283  726.758   12.183 17.91675 17.30050 
1 1 1   20    2   17 o  387.586   6.6315  1025.85   32.892  1000.33   56.408  1039.01   40.488  383.800   10.846  391.371   7.6340 -7.571594 13.26294 
1 1 1   20    2   18 o  389.062   6.6240  1029.26   32.946  1022.08   56.885  1032.88   40.415  387.924   10.821  390.201   7.6431 -2.276581 13.24807 
1 1 1   20    2   19 o  684.755   9.9734  3209.39   87.619  3132.39  149.475  3249.70  108.146  677.973   16.269  691.537   11.540 -13.56427 19.94674 
1 1 1   20    2   20 o  242.234   4.3720  397.351   14.336  372.667   19.892  424.026   20.679  234.415   6.2621  250.053   6.1027 -15.63748 8.743951 
1 1 1   20    2   21 o  135.866   5.8490  125.181   10.769  125.181   10.769   0.0000   0.0000  135.866   5.8490  ?   ?       ?      ? 
1 1 1   20    2   22 o  247.311   5.1879  412.313   16.628  405.951   20.611  424.171   28.140  244.646   6.2170  249.976   8.3069 -5.329559 10.37573 
1 1 1   20    2   23 o  114.902   4.7613   89.316   7.2526   88.366   9.3112   90.783   11.565  114.142   6.0197  115.663   7.3785 -1.520950 9.522555 
1 1 1   20    2   24 o  493.353   7.6345  1639.29   48.095  1609.07   58.620  1701.52   84.122  486.741   8.8872  499.965   12.416 -13.22424 15.26909 
1 1 1   20    2   25 o  134.006   4.1309  121.818   7.5008  120.187   10.627  123.438   10.589  133.111   5.8914  134.901   5.7921 -1.790253 8.261832 
1 1 1   20    2   26 o  289.177   4.6615  567.409   18.267  572.845   25.941  562.063   25.726  290.552   6.5885  287.804   6.5961 2.747925 9.322937 
1 1 1   20    2   27 o  521.722   6.5648  1849.71   46.410  1877.82   66.117  1822.40   65.160  525.630   9.2822  517.815   9.2860 7.816040 13.12968 
1 1 1   20    2   28 o  414.153   5.6097  1164.10   31.471  1206.62   45.184  1124.03   43.860  421.496   7.9106  406.810   7.9559 14.68625 11.21938 
1 1 1   20    2   29 o  247.208   4.4029  414.717   14.748  422.218   20.904  407.283   20.811  249.437   6.1842  244.980   6.2688 4.456512 8.805783 
1 1 1   20    2   30 o  419.361   5.6709  1193.47   32.208  1152.99   44.647  1237.40   46.509  411.957   7.9976  426.764   8.0420 -14.80692 11.34175 
1 1 1   20    2   31 o  187.059   4.1603  237.504   10.544  241.748   14.853  233.193   14.970  188.747   5.8070  185.370   5.9592 3.377197 8.320648 
1 1 1   20    2   32 o  135.686   5.9270  124.949   10.898   0.0000   0.0000  124.949   10.898  ?   ?   135.686   5.9270      ?      ? 
1 1 1   20    2   33 o  327.356   6.1454  722.174   25.318  711.223   30.475  746.572   45.487  323.604   6.9495  331.108   10.138 -7.504395 12.29089 
1 1 1   20    2   34 o  234.029   5.4579  365.492   15.968  355.232   19.059  389.659   29.250  228.749   6.1484  239.310   9.0196 -10.56113 10.91588 
1 1 1   20    2   35 o  383.967   5.3885  1002.10   28.037  1007.64   39.571  996.524   39.729  385.037   7.5839  382.897   7.6567 2.140350 10.77690 
1 1 1   20    2   36 o  264.732   4.5499  475.958   16.318  491.246   23.181  460.940   22.975  268.953   6.3603  260.511   6.5079 8.442047 9.099736 
1 1 1   20    2   37 o  386.760   5.4278  1016.27   28.436  988.457   39.531  1046.08   40.935  381.286   7.6507  392.234   7.7013 -10.94794 10.85553 
1 1 1   20    2   38 o  138.135   6.1682  129.573   11.514  125.795   15.621  134.068   17.038  135.953   8.4790  140.316   8.9606 -4.363022 12.33635 
1 1 1   20    2   39 o  217.157   6.1917  320.314   18.221   0.0000   0.0000  320.314   18.221  ?   ?   217.157   6.1917      ?      ? 
1 1 1   20    2   40 o  422.988   8.1313  1217.72   46.609   0.0000   0.0000  1217.72   46.609  ?   ?   422.988   8.1313      ?      ? 
1 1 1   20    2   41 f  197.832   5.1577  261.423   13.131  281.190   22.784  251.592   16.067  203.225   8.2732  192.438   6.1613 10.78676 10.31542 
1 1 1   20    2   42 o  288.737   4.7515  564.900   18.559  524.843   25.465  610.285   27.106  277.849   6.7632  299.625   6.6757 -21.77686 9.502982 
1 1 1   20    2   43 o  378.461   5.4007  973.631   27.681  937.269   38.359  1013.14   39.985  371.099   7.6276  385.823   7.6477 -14.72375 10.80131 
1 1 1   20    2   44 o  300.595   4.8433  614.327   19.722  636.897   28.142  592.540   27.648  306.029   6.7859  295.160   6.9124 10.86938 9.686567 
1 1 1   20    2   45 o  136.140   4.4787  126.082   8.2560  131.383   11.646  120.725   11.706  139.030   6.1812  133.250   6.4828 5.779556 8.957330 
1 1 1   20    2   46 o  266.547   5.6184  487.885   19.290  496.875   23.951  471.287   32.544  270.302   6.5386  262.791   9.1384 7.510803 11.23673 
1 1 1   20    2   47 o  112.674   4.6590   85.906   7.0880   76.420   9.6746   96.896   10.414  105.985   6.7361  119.363   6.4382 -13.37802 9.318025 
1 1 1   20    2   48 o  322.925   5.0281  708.945   21.980  755.719   31.697  665.615   30.508  333.190   7.0200  312.659   7.2003 20.53116 10.05612 
1 1 1   20    2   49 o  163.462   4.4202  181.327   9.7776  168.940   13.488  195.042   14.194  157.587   6.3162  169.338   6.1852 -11.75066 8.840354 
1 1 1   20    2   50 o  305.118   4.9324  634.058   20.392  647.412   28.955  620.917   28.723  308.316   6.9303  301.921   7.0202 6.395020 9.864738 
1 1 1   20    2   51 o  218.675   4.5221  325.497   13.393  341.107   19.080  310.337   18.803  223.860   6.2895  213.491   6.4993 10.36841 9.044279 
1 1 1   20    2   52 o  265.581   6.8857  482.219   24.739  460.222   33.801  507.597   36.306  259.112   9.6263  272.049   9.8480 -12.93671 13.77130 
1 1 1   20    2   53 o  302.484   9.9795  628.470   40.907  628.470   40.907   0.0000   0.0000  302.484   9.9795  ?   ?       ?      ? 
1 1 1   20    2   54 o   65.914   6.3760   29.802   5.6951   29.678   8.0611   29.925   8.0470   65.775   9.0438   66.053   8.9901 -0.2776337 12.75194 
1 1 1   20    2   55 o  245.348   4.6667  410.853   15.512  422.079   21.996  399.745   21.880  248.701   6.5265  241.993   6.6721 6.707855 9.333385 
1 1 1   20    2   56 o  118.748   4.8324   96.371   7.7760   95.655   11.005   97.085   10.989  118.303   6.8645  119.194   6.8034 -0.8903427 9.664735 
1 1 1   20    2   57 o  184.557   5.6608  235.697   13.229  228.359   23.089  239.284   16.141  181.962   9.3634  187.151   6.3645 -5.188889 11.32167 
1 1 1   20    2   58 o  206.129   6.4739  290.616   18.084   0.0000   0.0000  290.616   18.084  ?   ?   206.129   6.4739      ?      ? 
1 1 1   20    2   59 o  294.052   4.9759  593.119   19.828  594.566   28.084  591.680   27.998  294.408   7.0392  293.695   7.0348 0.7133179 9.951791 
1 1 1   20    2   60 o  153.359   4.6057  161.232   9.5703  157.499   13.495  165.007   13.574  151.558   6.5708  155.161   6.4556 -3.602356 9.211436 
1 1 1   20    2   61 o  223.937   4.6450  344.158   14.093  334.629   19.726  354.094   20.142  220.761   6.5936  227.113   6.5444 -6.352203 9.290081 
1 1 1   20    2   62 o   64.444   6.6174   29.027   5.7549   32.225   8.1807   25.895   8.0971   68.058   8.8701   60.830   9.8226 7.228065 13.23488 
1 1 1   20    2   63 o   57.865   8.4293   24.363   6.2768   24.490   7.8742   24.142   10.396   59.055   9.8394   56.676   13.689 2.378574 16.85857 
1 1 1   20    2   64 o  150.721   5.5178  155.385   10.833  149.297   13.456  166.599   18.262  147.056   6.7521  154.385   8.7289 -7.328995 11.03560 
1 1 1   20    2   65 o  101.432   5.1590   71.391   7.0897   69.326   9.9572   73.513   10.097   99.926   7.3532  102.938   7.2382 -3.011795 10.31800 
1 1 1   20    2   66 o  112.803   4.9640   88.354   7.5852   91.527   10.764   85.225   10.690  114.855   6.9161  110.752   7.1227 4.102821 9.928024 
1 1 1   20    2   67 o   80.472   5.8588   45.517   6.3881   44.505   8.9680   46.561   9.1018   79.551   8.3189   81.392   8.2521 -1.840584 11.71753 
1 1 1   20    2   68 o  118.746   6.4085   97.939   9.4185   94.722   11.170  105.856   17.521  116.523   7.0736  120.969   10.688 -4.445900 12.81709 
1 1 1   20    2   69 o   47.649   9.9222   16.809   6.4254   15.073   7.6865   20.837   11.708   44.324   12.341   50.974   15.540 -6.650047 19.84443 
1 1 1   20    2   70 o  105.892   5.2988   78.995   7.5598   68.974   10.610   89.329   10.775   98.829   7.9220  112.954   7.0391 -14.12419 10.59754 
1 1 1   20    2   71 o   62.402   7.3207   28.793   5.9978   24.496   8.4047   33.251   8.5617   56.807   11.315   67.998   9.2914 -11.19148 14.64132 
1 1 1   20    2   72 o   80.094   6.0257   45.811   6.5310   42.690   9.1383   49.069   9.3373   77.202   8.7348   82.986   8.3029 -5.784096 12.05140 
1 1 1   20    2   73 o   51.994   11.843   20.985   8.1581   0.0000   0.0000   20.985   8.1581  ?   ?    51.994   11.843      ?      ? 
1 1 1   20    2   74 o   82.391   7.6041   49.234   7.9459   53.912   14.137   47.073   9.6072   83.977   12.422   80.805   8.7735 3.171318 15.20818 
1 1 1   20    2   75 o   52.489   8.5559   21.719   5.9607   22.992   8.5938   20.539   8.2746   54.037   12.043   50.941   12.156 3.096352 17.11174 
1 1 1   20    2   76 o  100.288   5.5975   72.237   7.6071   71.805   10.768   72.668   10.748   99.966   7.9489  100.612   7.8832 -0.6459274 11.19508 
1 1 1   20    2   77 o   55.285   8.6898   24.576   6.3720   29.550   9.2165   20.022   8.8193   61.295   11.519   49.275   13.014 12.01963 17.37965 
1 1 1   20    2   78 o   41.138   9.7667   10.502   6.9531   1.8446   8.7038   25.769   11.559   28.396   12.292   53.881   15.181 -25.48463 19.53333 
1 1 1   20    2   79 o   46.137   9.2682   18.272   6.3877   11.802   9.1490   24.426   8.9224   37.978   13.779   54.295   12.399 -16.31700 18.53646 
1 1 1   20    2   80 o   28.683   8.7042   2.8472   6.1042   4.8175   8.6941   0.9317   8.5724   30.315   12.668   27.050   11.941 3.265753 17.40831 
1 1 1   20    2   81 o   54.239   9.2056   25.805   6.7048   23.071   9.5369   28.478   9.4281   50.675   13.603   57.803   12.407 -7.128544 18.41113 
1 1 1   20    2   82 o   25.148   8.2879  -3.6694   6.9815   0.0753   8.7861 -10.0840   11.499   26.091   11.761   24.206   11.680 1.884752 16.57570 
1 1 1   20    3    0 o  678.172   8.0708  3120.87   74.169  3085.43  104.717  3156.54  105.067  674.305   11.460  682.040   11.368 -7.734924 16.14162 
1 1 1   20    3    1 o  1124.20   12.651  8594.77  192.719  8638.44  273.879  8551.94  271.231  1127.02   17.933  1121.38   17.849 5.637695 25.30127 
1 1 1   20    3    2 o  334.864   6.2124  752.264   26.381  783.648   46.821  737.667   31.933  339.873   10.166  329.854   7.1438 10.01932 12.42482 
1 1 1   20    3    3 o  852.570   12.078  4977.88  132.171  4831.00  224.941  5055.33  163.341  842.396   19.705  862.744   13.971 -20.34808 24.15508 
1 1 1   20    3    4 o  199.568   8.8107  270.120   23.828  270.120   23.828   0.0000   0.0000  199.568   8.8107  ?   ?       ?      ? 
1 1 1   20    3    5 o  888.950   12.523  5397.71  142.584  5308.84  244.576  5443.47  175.491  882.790   20.444  895.111   14.468 -12.32074 25.04563 
1 1 1   20    3    6 o  625.580   9.2977  2667.15   74.430  2629.01  128.008  2686.63   91.484  621.950   15.188  629.210   10.729 -7.260071 18.59542 
1 1 1   20    3    7 o  881.766   12.428  5284.70  139.796  5306.75  243.005  5273.80  170.908  882.519   20.319  881.013   14.315 1.506714 24.85554 
1 1 1   20    3    8 o  548.056   8.4136  2058.93   59.194  1976.48  100.444  2102.79   73.269  539.390   13.742  556.722   9.7118 -17.33209 16.82711 
1 1 1   20    3    9 o  1072.45   14.885  7907.51  205.264  7629.98  347.445  8056.31  254.408  1056.78   24.262  1088.12   17.253 -31.34595 29.77073 
1 1 1   20    3   10 o  332.521   6.1818  756.053   26.263  731.750   45.100  768.523   32.306  328.382   10.135  336.661   7.0813 -8.279480 12.36366 
1 1 1   20    3   11 o  278.970   5.7080  526.501   20.296  531.774   35.405  523.920   24.770  279.962   9.3321  277.979   6.5755 1.982269 11.41607 
1 1 1   20    3   12 o  239.751   5.4163  386.295   16.514  400.024   29.110  379.781   20.052  242.826   8.8463  236.676   6.2521 6.149857 10.83264 
1 1 1   20    3   13 o  418.327   11.374  1188.29   64.476  1188.29   64.476   0.0000   0.0000  418.327   11.374  ?   ?       ?      ? 
1 1 1   20    3   15 o  584.336   10.126  2317.95   80.181  2317.95   80.181   0.0000   0.0000  584.336   10.126  ?   ?       ?      ? 
1 1 1   20    3   16 o  266.149   5.3018  471.741   18.279  452.055   22.515  509.799   31.305  258.192   6.4350  274.107   8.4277 -15.91489 10.60355 
1 1 1   20    3   17 o  749.203   10.686  3814.50  102.415  3800.60  125.514  3842.20  177.159  747.748   12.387  750.659   17.416 -2.911133 21.37128 
1 1 1   20    3   18 o  727.339   8.5500  3596.00   84.271  3577.58  118.738  3614.69  119.621  725.466   12.078  729.213   12.105 -3.747620 17.10004 
1 1 1   20    3   19 o  533.701   6.6936  1933.00   48.397  1984.43   69.391  1884.30   67.535  540.608   9.4720  526.794   9.4603 13.81445 13.38716 
1 1 1   20    3   20 o  219.889   4.2733  327.914   12.733  323.717   17.983  332.133   18.031  218.477   6.0741  221.301   6.0125 -2.823593 8.546558 
1 1 1   20    3   21 o  385.148   5.3601  1006.64   27.976  1006.44   39.521  1006.84   39.606  385.110   7.5729  385.187   7.5877 -0.7614136E-01 10.72019 
1 1 1   20    3   22 o  561.992   6.9431  2145.51   52.872  2117.62   74.199  2174.28   75.360  558.284   9.8075  565.701   9.8304 -7.416870 13.88612 
1 1 1   20    3   23 o  226.869   5.2657  348.381   15.259  352.149   26.510  346.515   18.659  227.721   8.5906  226.017   6.0921 1.704346 10.53149 
1 1 1   20    3   24 o  466.056   12.138  1478.68   76.658  1478.68   76.658   0.0000   0.0000  466.056   12.138  ?   ?       ?      ? 
1 1 1   20    3   25 o  635.118   7.6591  2739.72   65.866  2857.23   95.499  2633.09   90.965  648.078   10.874  622.159   10.789 25.91937 15.31828 
1 1 1   20    3   26 o  338.002   5.0063  773.437   22.900  726.931   31.495  825.606   33.357  327.248   7.1020  348.756   7.0580 -21.50812 10.01266 
1 1 1   20    3   27 o  332.215   4.9607  748.576   22.322  781.227   32.059  717.850   31.099  339.244   6.9736  325.186   7.0573 14.05878 9.921463 
1 1 1   20    3   28 o  424.029   5.7018  1221.43   32.763  1221.48   46.224  1221.37   46.446  424.040   8.0441  424.017   8.0831 0.2380371E-01 11.40370 
1 1 1   20    3   29 o  606.318   7.3850  2501.52   60.668  2460.02   84.867  2544.90   86.761  601.184   10.417  611.453   10.471 -10.26941 14.76999 
1 1 1   20    3   30 o  280.435   4.6251  533.873   17.576  540.058   24.883  527.715   24.829  282.058   6.5101  278.812   6.5715 3.246674 9.250152 
1 1 1   20    3   31 o  455.981   5.9891  1413.32   37.005  1401.20   51.975  1425.79   52.699  454.001   8.4480  457.961   8.4916 -3.959259 11.97812 
1 1 1   20    3   32 o  476.376   6.1773  1541.61   39.855  1488.80   55.261  1598.85   57.535  467.888   8.7156  484.864   8.7564 -16.97589 12.35460 
1 1 1   20    3   33 o  307.619   4.8029  642.711   20.020  645.734   28.217  639.645   28.411  308.352   6.7527  306.886   6.8316 1.465729 9.605706 
1 1 1   20    3   34 o  136.943   9.2546  127.648   17.174   0.0000   0.0000  127.648   17.174  ?   ?   136.943   9.2546      ?      ? 
1 1 1   20    3   35 o  191.664   6.0346  249.414   15.674   0.0000   0.0000  249.414   15.674  ?   ?   191.664   6.0346      ?      ? 
1 1 1   20    3   36 o  303.308   4.8221  622.732   19.769  688.709   28.865  564.441   27.132  318.400   6.6899  288.217   6.9466 30.18277 9.644170 
1 1 1   20    3   37 f  508.781   8.0775  1777.19   52.229  1795.05   63.834  1741.01   90.844  513.386   9.1754  504.176   13.296 9.209564 16.15495 
1 1 1   20    3   38 o  250.790   5.7763  438.674   18.115  457.434   22.027  399.464   31.844  259.503   6.2636  242.078   9.7072 17.42548 11.55259 
1 1 1   20    3   39 o  394.887   5.5002  1060.64   29.429  1049.37   41.195  1072.39   42.055  392.753   7.7400  397.021   7.8167 -4.268188 11.00039 
1 1 1   20    3   40 o  203.906   4.3094  281.788   11.894  265.669   16.385  299.740   17.292  197.755   6.1142  210.057   6.0746 -12.30177 8.618829 
1 1 1   20    3   41 o  237.706   4.4597  383.872   14.345  412.342   20.506  356.589   20.074  246.352   6.1425  229.059   6.4671 17.29341 8.919351 
1 1 1   20    3   42 o  197.166   5.2576  273.198   13.307  295.823   16.783  234.889   21.839  208.671   5.9350  185.661   8.6800 23.00986 10.51512 
1 1 1   20    3   43 o  221.651   6.0960  334.821   18.285  311.973   25.634  358.489   26.090  213.919   8.8428  229.383   8.3933 -15.46352 12.19192 
1 1 1   20    3   44 o  179.977   5.1843  211.406   12.007  249.016   21.195  193.632   14.570  191.185   8.1807  168.769   6.3707 22.41551 10.36866 
1 1 1   20    3   45 o  236.163   4.4922  379.239   14.375  382.229   20.205  376.175   20.455  237.114   6.2880  235.213   6.4172 1.901596 8.984466 
1 1 1   20    3   46 o  147.649   4.3456  148.096   8.6917  143.799   12.100  152.677   12.493  145.438   6.1394  149.859   6.1518 -4.421188 8.691221 
1 1 1   20    3   47 o  198.704   4.3965  268.425   11.817  290.822   16.908  247.040   16.522  206.826   6.0327  190.583   6.3973 16.24281 8.793086 
1 1 1   20    3   48 o  129.255   4.5073  113.652   7.8948  113.592   11.134  113.712   11.196  129.222   6.3579  129.288   6.3906 -0.6584167E-01 9.014599 
1 1 1   20    3   49 o  223.063   4.4997  337.946   13.588  318.414   18.794  359.337   19.668  216.316   6.4112  229.811   6.3155 -13.49516 8.999374 
1 1 1   20    3   50 o  232.264   4.5625  367.203   14.360  364.009   20.191  370.472   20.427  231.243   6.4432  233.284   6.4616 -2.040695 9.125031 
1 1 1   20    3   51 o  230.541   4.5666  361.952   14.265  369.690   20.221  354.287   20.126  233.003   6.4041  228.078   6.5117 4.924927 9.133180 
1 1 1   20    3   52 o  203.515   4.5143  282.126   12.442  296.068   17.723  268.578   17.471  208.491   6.2729  198.540   6.4936 9.951660 9.028631 
1 1 1   20    3   53 o  399.231   5.6642  1089.12   30.629  1135.93   44.000  1045.11   42.663  407.568   7.9666  390.895   8.0539 16.67303 11.32837 
1 1 1   20    3   54 o   92.996   6.4533   58.699   7.7364   61.591   13.291   57.217   9.5142   94.529   10.376   91.463   7.6762 3.066490 12.90656 
1 1 1   20    3   55 o  144.055   6.8661  141.085   13.311  122.229   17.756  165.281   20.114  133.177   9.8385  154.933   9.5801 -21.75568 13.73222 
1 1 1   20    3   56 o  143.987   6.4456  142.595   12.565  146.191   18.249  139.355   17.325  145.678   9.2443  142.296   8.9847 3.382065 12.89116 
1 1 1   20    3   57 o  156.614   5.4110  167.636   11.034  165.939   13.783  170.664   18.414  155.780   6.5291  157.448   8.6305 -1.667679 10.82199 
1 1 1   20    3   58 o  252.638   4.7412  437.083   16.232  434.660   22.869  439.543   23.042  251.935   6.6984  253.341   6.7118 -1.405777 9.482395 
1 1 1   20    3   59 o   40.731   8.5691   11.870   5.0820   11.461   7.2187   12.271   7.1557   40.145   12.194   41.317   12.042 -1.171787 17.13812 
1 1 1   20    3   60 o   95.219   7.0608   63.265   9.0873   62.623   13.295   63.828   12.450   94.662   10.364   95.777   9.5922 -1.115150 14.12158 
1 1 1   20    3   61 o   30.374   9.0068   1.0988   6.2718   4.6171   9.4979  -1.6215   8.3516   33.861   13.584   26.887   11.831 6.974083 18.01355 
1 1 1   20    3   62 o   79.772   5.7295   44.123   6.1930   44.568   8.8371   43.694   8.6814   80.159   8.1353   79.384   8.0700 0.7749939 11.45897 
1 1 1   20    3   63 f   95.477   5.3394   63.161   6.9076   62.165   9.7723   64.156   9.7654   94.707   7.6144   96.247   7.4872 -1.540482 10.67878 
1 1 1   20    3   64 o  136.191   4.7514  128.070   8.7644  133.995   12.543  122.418   12.251  139.296   6.6449  133.086   6.7931 6.210236 9.502731 
1 1 1   20    3   65 o   54.741   7.6055   21.914   5.5161   18.344   7.8172   25.455   7.7848   49.490   11.819   59.992   9.5756 -10.50211 15.21108 
1 1 1   20    3   66 o  183.914   6.5587  234.346   16.346   0.0000   0.0000  234.346   16.346  ?   ?   183.914   6.5587      ?      ? 
1 1 1   20    3   67 o   84.630   5.6893   50.311   6.5239   51.477   9.2695   49.167   9.1835   85.623   7.9888   83.638   8.1026 1.985542 11.37864 
1 1 1   20    3   68 o  106.936   5.1785   80.125   7.4854   86.734   10.607   73.568   10.565  111.472   7.0216  102.401   7.6136 9.071541 10.35708 
1 1 1   20    3   69 o   34.109   8.6114   7.7807   5.1030   9.8368   7.1106   5.5970   7.3277   36.735   12.216   31.484   12.140 5.250168 17.22279 
1 1 1   20    3   70 o   63.650   10.554   32.876   9.0018   37.981   12.563   27.488   12.905   69.577   13.811   57.723   15.962 11.85419 21.10795 
1 1 1   20    3   71 o   51.185   11.145   21.600   8.5148   23.112   11.782   19.947   12.320   53.018   15.452   49.351   16.064 3.666615 22.28921 
1 1 1   20    3   72 o   36.534   8.9941   9.6446   5.5159   7.6779   7.8837   11.530   7.7201   34.133   12.721   38.936   12.718 -4.802967 17.98813 
1 1 1   20    3   73 o   58.892   11.199   26.488   8.6113   26.488   8.6113   0.0000   0.0000   58.892   11.199  ?   ?       ?      ? 
1 1 1   20    3   74 o   40.198   9.1645   12.537   5.7544   9.9046   8.0845   15.240   8.1925   36.679   12.995   43.718   12.926 -7.038319 18.32905 
1 1 1   20    3   75 o   70.259   10.078   40.454   9.2432   40.711   13.618   40.234   12.586   69.972   14.823   70.546   13.659 -0.5738525 20.15682 
1 1 1   20    3   76 o   46.473   10.216   17.466   6.9432   14.754   8.7528   22.067   11.403   42.472   13.513   50.473   15.325 -8.001221 20.43189 
1 1 1   20    3   77 o   53.879   8.7897   23.578   6.2873   24.790   9.0325   22.439   8.7572   55.306   12.362   52.451   12.498 2.855194 17.57932 
1 1 1   20    3   78 o   41.548   9.5626   14.578   6.2275   12.573   9.0172   16.407   8.6109   39.084   13.737   44.013   13.307 -4.928783 19.12525 
1 1 1   20    3   79 o   79.644   6.8210   48.320   7.3224   44.765   10.584   51.584   10.141   76.283   10.238   83.006   9.0158 -6.722900 13.64208 
1 1 1   20    3   80 o   30.710   8.9310   5.6248   5.9770   5.2039   8.7050   6.0001   8.2212   30.530   12.710   30.891   12.551 -0.3605175 17.86206 
1 1 1   20    3   81 o   63.670   8.4301   33.825   7.0118   45.931   10.300   23.367   9.5727   76.602   9.9220   50.739   13.632 25.86311 16.86026 
1 1 1   20    4    0 o  464.856   8.5711  1466.52   53.948  1475.16   78.002  1458.60   74.694  466.152   12.348  463.560   11.890 2.591888 17.14222 
1 1 1   20    4    1 o  474.029   7.5615  1516.11   45.156  1548.18   80.758  1501.52   54.466  477.530   12.480  470.528   8.5420 7.001740 15.12301 
1 1 1   20    4    2 o  827.276   11.762  4677.50  124.388  4582.67  213.992  4725.90  152.866  820.403   19.248  834.150   13.523 -13.74744 23.52379 
1 1 1   20    4    3 o  880.081   11.785  5364.59  123.313  5064.06  238.067  5474.80  144.160  862.115   20.377  898.046   11.846 -35.93115 23.57039 
1 1 1   20    4    4 o  949.144   12.530  6132.65  139.268  6125.19  279.130  6135.13  160.700  947.739   21.734  950.550   12.475 -2.811096 25.05984 
1 1 1   20    4    5 o  548.837   7.9167  2024.90   50.366  2082.54  103.272  2006.91   57.692  553.669   13.764  544.006   7.8258 9.663269 15.83335 
1 1 1   20    4    6 o  488.556   7.3066  1626.40   41.649  1606.52   83.742  1632.93   48.008  486.375   12.705  490.736   7.2191 -4.360992 14.61312 
1 1 1   20    4    7 o  800.380   10.770  4358.55  100.895  4348.39  202.356  4361.91  116.395  799.081   18.687  801.680   10.714 -2.598328 21.54064 
1 1 1   20    4    8 o  462.578   7.0085  1433.07   37.404  1488.15   77.406  1416.30   42.723  468.125   12.202  457.031   6.8981 11.09372 14.01692 
1 1 1   20    4    9 o  802.169   10.797  4395.22  101.630  4336.99  202.481  4414.83  117.503  797.868   18.727  806.471   10.752 -8.603760 21.59403 
1 1 1   20    4   10 o  633.450   8.8425  2695.43   64.916  2784.35  133.265  2667.76   74.332  639.813   15.370  627.086   8.7471 12.72736 17.68493 
1 1 1   20    4   11 o  372.584   6.1306  935.960   26.393  952.968   54.242  930.684   30.210  374.665   10.683  370.503   6.0169 4.161896 12.26126 
1 1 1   20    4   12 o  371.836   6.1025  924.568   26.148  963.780   54.260  912.707   29.842  376.770   10.627  366.902   6.0019 9.868011 12.20498 
1 1 1   20    4   13 o  206.403   5.0348  297.240   11.801  273.713   24.232  304.554   13.511  200.840   8.9035  211.966   4.7038 -11.12636 10.06969 
1 1 1   20    4   14 o  780.066   10.527  4161.84   96.451  4099.03  191.768  4183.11  111.593  775.253   18.254  784.879   10.492 -9.626770 21.05407 
1 1 1   20    4   15 o  431.284   6.7285  1282.82   34.070  1222.26   67.235  1303.74   39.519  424.118   11.698  438.449   6.6513 -14.33014 13.45701 
1 1 1   20    4   16 o  625.823   7.5610  2659.28   64.109  2719.78   91.802  2601.69   89.567  632.766   10.706  618.879   10.680 13.88666 15.12197 
1 1 1   20    4   17 o  488.249   6.2673  1616.02   41.439  1555.47   57.354  1682.16   59.939  478.695   8.8414  497.804   8.8853 -19.10910 12.53465 
1 1 1   20    4   18 o  180.049   5.8220  219.835   14.205   0.0000   0.0000  219.835   14.205  ?   ?   180.049   5.8220      ?      ? 
1 1 1   20    4   19 o  418.519   5.6437  1188.79   32.008  1195.54   45.338  1182.07   45.195  419.706   7.9713  417.332   7.9914 2.373779 11.28737 
1 1 1   20    4   20 o  799.387   11.464  4342.38  116.260  4307.56  141.206  4415.65  204.843  795.439   13.100  803.335   18.817 -7.896057 22.92743 
1 1 1   20    4   21 o  313.117   6.1059  665.850   23.968  665.998   28.862  665.521   43.020  313.303   6.7979  312.931   10.145 0.3727417 12.21180 
1 1 1   20    4   22 o  323.315   10.239  710.594   44.861   0.0000   0.0000  710.594   44.861  ?   ?   323.315   10.239      ?      ? 
1 1 1   20    4   23 o  190.554   4.1517  246.334   10.719  248.341   15.085  244.286   15.236  191.340   5.8177  189.768   5.9245 1.572372 8.303302 
1 1 1   20    4   24 o  309.433   4.7932  649.512   20.094  635.877   28.054  663.879   28.797  306.101   6.7630  312.766   6.7943 -6.664978 9.586461 
1 1 1   20    4   25 o  191.191   4.1602  247.462   10.766  232.480   14.861  264.009   15.618  185.113   5.9242  197.270   5.8423 -12.15709 8.320347 
1 1 1   20    4   26 o  329.955   6.9624  739.050   31.131  739.050   31.131   0.0000   0.0000  329.955   6.9624  ?   ?       ?      ? 
1 1 1   20    4   27 o  349.795   5.1000  830.247   24.166  810.059   33.632  851.796   34.747  345.404   7.1854  354.185   7.2395 -8.780884 10.19997 
1 1 1   20    4   28 o  535.865   8.2632  1967.67   56.749  1923.53   97.048  1990.60   69.955  530.758   13.493  540.973   9.5425 -10.21460 16.52630 
1 1 1   20    4   29 o  156.881   5.9594  167.024   12.669   0.0000   0.0000  167.024   12.669  ?   ?   156.881   5.9594      ?      ? 
1 1 1   20    4   30 o  469.882   12.561  1507.05   79.985   0.0000   0.0000  1507.05   79.985  ?   ?   469.882   12.561      ?      ? 
1 1 1   20    4   31 o  205.092   4.2955  285.231   11.927  303.560   17.142  268.032   16.605  211.478   5.9816  198.706   6.1666 12.77147 8.591077 
1 1 1   20    4   32 o  116.611   4.2099   92.221   6.6492   89.729   9.2245   94.916   9.5929  114.974   5.9206  118.248   5.9865 -3.274429 8.419715 
1 1 1   20    4   33 o  313.103   4.8547  665.604   20.592  653.162   28.689  678.826   29.575  310.091   6.8272  316.116   6.9039 -6.024414 9.709445 
1 1 1   20    4   34 o  553.698   6.9029  2086.81   51.772  2033.47   71.915  2144.19   74.590  546.375   9.7129  561.021   9.8111 -14.64691 13.80572 
1 1 1   20    4   35 o  108.826   4.3629   80.325   6.4280   78.287   8.8585   82.591   9.3417  107.373   6.0881  110.279   6.2511 -2.905563 8.725892 
1 1 1   20    4   36 o  402.817   5.5597  1103.65   30.347  1106.72   42.730  1100.52   43.108  403.392   7.8166  402.242   7.9084 1.150665 11.11946 
1 1 1   20    4   37 o  296.557   4.7704  597.235   19.160  586.351   26.567  609.033   27.659  293.753   6.6739  299.362   6.8181 -5.609100 9.540812 
1 1 1   20    4   38 o  394.431   6.6516  1064.20   33.701  1072.54   41.602  1048.27   57.477  397.065   7.7317  391.796   10.826 5.269501 13.30313 
1 1 1   20    4   39 o  127.790   5.0838  112.043   8.4056  114.514   10.499  107.633   14.028  129.841   5.9671  125.739   8.2324 4.102104 10.16755 
1 1 1   20    4   40 o  353.814   6.5641  864.011   29.296  883.198   35.678  824.292   51.332  360.338   7.3064  347.289   10.907 13.04889 13.12825 
1 1 1   20    4   41 o  349.807   6.4721  821.985   28.263  803.190   33.740  866.194   51.746  343.615   7.2459  356.000   10.726 -12.38455 12.94423 
1 1 1   20    4   42 o  273.220   4.6641  507.578   17.265  509.980   24.195  505.086   24.645  273.890   6.5187  272.551   6.6725 1.338959 9.328271 
1 1 1   20    4   43 o  150.520   4.3540  153.890   8.8730  151.871   12.255  156.115   12.864  149.490   6.0493  151.549   6.2639 -2.058380 8.708075 
1 1 1   20    4   44 o  575.815   7.1741  2262.43   55.934  2373.22   81.022  2161.55   77.313  589.260   10.146  562.369   10.145 26.89166 14.34817 
1 1 1   20    4   45 o  196.615   4.3903  262.943   11.689  274.774   16.538  251.133   16.523  201.051   6.0699  192.179   6.3446 8.872528 8.780567 
1 1 1   20    4   46 o  208.133   5.4847  301.662   14.654  273.791   24.460  317.268   18.303  200.267   9.0129  216.000   6.2528 -15.73276 10.96946 
1 1 1   20    4   47 o  221.193   5.5207  336.483   15.677  323.911   26.606  343.169   19.403  217.782   9.0152  224.605   6.3748 -6.822601 11.04134 
1 1 1   20    4   48 o  264.656   4.6850  476.200   16.793  456.721   23.313  497.206   24.209  259.034   6.6413  270.277   6.6098 -11.24283 9.369987 
1 1 1   20    4   49 o   98.528   5.0414   66.357   6.6963   74.228   9.4828   58.528   9.4574  104.406   6.7023   92.649   7.5326 11.75701 10.08274 
1 1 1   20    4   50 o  279.377   4.7980  531.635   18.162  522.500   25.441  541.129   25.937  276.932   6.7793  281.822   6.7915 -4.890564 9.595962 
1 1 1   20    4   51 o  196.236   5.5445  268.637   13.927  245.070   23.412  281.544   17.327  189.154   9.1335  203.319   6.2886 -14.16541 11.08906 
1 1 1   20    4   52 o  119.054   5.7327   94.673   8.8172  104.386   15.244   89.790   10.809  123.388   9.1170  114.720   6.9526 8.668121 11.46549 
1 1 1   20    4   53 o  162.970   4.4750  181.150   9.8793  183.913   13.852  178.291   14.094  164.252   6.2233  161.688   6.4323 2.563492 8.950098 
1 1 1   20    4   54 o  152.103   4.5414  158.022   9.3233  176.427   13.320  140.344   13.054  160.845   6.1110  143.361   6.7195 17.48398 9.082735 
1 1 1   20    4   55 o  240.318   4.6425  394.574   15.117  399.855   21.323  389.237   21.435  241.953   6.5033  238.682   6.6271 3.270691 9.285017 
1 1 1   20    4   56 o  136.809   4.6778  127.776   8.6647  121.036   11.996  135.127   12.528  133.036   6.6543  140.582   6.5764 -7.546036 9.355638 
1 1 1   20    4   58 o  212.969   6.4669  310.619   18.664  310.619   18.664   0.0000   0.0000  212.969   6.4669  ?   ?       ?      ? 
1 1 1   20    4   59 o   30.130   8.7237   2.2769   5.4034   4.9090   9.3416   0.9535   6.6239   34.068   13.536   26.192   11.008 7.876772 17.44736 
1 1 1   20    4   60 o   46.590   8.7987   16.666   5.9567   21.861   7.7137   8.9905   9.3754   54.949   10.744   38.231   13.937 16.71807 17.59739 
1 1 1   20    4   61 o  114.780   4.9007   90.771   7.6213   89.110   10.802   92.417   10.754  113.713   7.0099  115.847   6.8505 -2.134666 9.801397 
1 1 1   20    4   62 f  192.350   5.6167  249.947   13.788  277.133   24.453  237.274   16.695  199.130   9.0616  185.571   6.6390 13.55913 11.23340 
1 1 1   20    4   63 o  187.465   5.7234  246.372   13.720  239.383   23.470  250.000   16.910  184.564   9.3839  190.367   6.5551 -5.803024 11.44673 
1 1 1   20    4   64 o   92.866   5.4743   60.082   6.8833   63.009   9.7512   57.174   9.7178   95.180   7.5602   90.551   7.9194 4.628174 10.94864 
1 1 1   20    4   65 o  107.837   5.2117   81.002   7.6012   87.448   10.824   74.730   10.677  112.168   7.1210  103.506   7.6118 8.662254 10.42347 
1 1 1   20    4   66 o  224.191   4.7795  348.466   14.492  380.289   20.967  319.353   20.054  234.094   6.6094  214.288   6.9060 19.80568 9.559089 
1 1 1   20    4   67 o   78.605   5.9655   43.492   6.3377   48.122   9.2390   39.377   8.7101   82.612   8.2528   74.598   8.6162 8.013901 11.93098 
1 1 1   20    4   68 o   37.293   9.6050   9.2632   5.9813   9.9243   10.701   8.9627   7.2134   38.959   14.756   35.627   12.299 3.332684 19.20996 
1 1 1   20    4   69 o  100.276   5.4731   71.194   7.3929   63.125   10.520   79.066   10.391   94.386   8.2249  106.166   7.2228 -11.78013 10.94616 
1 1 1   20    4   70 o   63.328   7.1709   29.608   5.9776   27.817   8.7447   31.179   8.1899   60.770   11.025   65.885   9.1729 -5.115696 14.34177 
1 1 1   20    4   71 o   86.467   5.8973   53.270   6.8255   64.424   9.8979   43.157   9.4250   95.434   7.6535   77.500   8.9743 17.93388 11.79461 
1 1 1   20    4   73 o  147.079   7.0331  152.616   14.018  152.616   14.018   0.0000   0.0000  147.079   7.0331  ?   ?       ?      ? 
1 1 1   20    4   74 o   35.143   8.6777   8.3503   5.5939   1.6337   8.2445   14.080   7.6149   28.173   12.076   42.114   12.465 -13.94187 17.35542 
1 1 1   20    4   75 o  106.993   5.5333   81.890   8.0085   88.870   11.643   75.621   11.034  111.394   7.7127  102.592   7.9363 8.801079 11.06662 
1 1 1   20    4   76 o   25.379   7.9877  -0.9185   5.5257   0.4128   8.1406  -2.0561   7.5246   26.751   11.728   24.007   10.847 2.744583 15.97536 
1 1 1   20    4   77 o   38.362   8.7732   10.938   6.9803 -11.0153   12.394   21.136   8.4475   25.968   12.424   50.756   12.390 -24.78747 17.54647 
1 1 1   20    4   78 o   39.223   9.4329   12.771   6.2350   8.3033   9.1203   16.691   8.5432   34.250   13.449   44.195   13.231 -9.945011 18.86585 
1 1 1   20    4   79 o   48.944   9.5495   21.026   6.5346   21.036   9.5406   21.017   8.9685   48.683   13.819   49.206   13.184 -0.5229874 19.09892 
1 1 1   20    4   80 o   46.480   10.669   21.315   7.8221   23.304   9.4983   17.123   13.789   51.049   13.517   41.912   16.511 9.137630 21.33842 
1 1 1   20    4   81 o   45.166   16.680   21.938   13.495   0.0000   0.0000   21.938   13.495  ?   ?    45.166   16.680      ?      ? 
1 1 1   20    5    0 o  791.222   9.2007  4251.30   98.645  4302.99  140.384  4200.89  138.642  795.971   13.015  786.472   13.009 9.498657 18.40130 
1 1 1   20    5    1 o  664.331   7.9597  2995.01   71.650  3046.52  102.222  2945.27  100.458  669.943   11.260  658.718   11.254 11.22540 15.91949 
1 1 1   20    5    2 o  1273.95   16.555 11281.28  250.795 10663.44  483.798 11508.32  293.278  1247.22   28.625  1300.68   16.639 -53.46338 33.10914 
1 1 1   20    5    3 o  396.961   6.4395  1065.86   29.463  1074.97   60.629  1063.05   33.711  397.942   11.243  395.981   6.2823 1.961151 12.87903 
1 1 1   20    5    4 o  263.680   5.3811  472.505   16.115  469.673   33.748  473.341   18.341  263.104   9.4654  264.256   5.1216 -1.151672 10.76217 
1 1 1   20    5    5 o  423.463   6.6779  1214.73   32.646  1220.47   66.957  1212.94   37.391  423.965   11.654  422.961   6.5236 1.004028 13.35583 
1 1 1   20    5    6 o  451.546   6.9392  1372.00   36.082  1405.81   74.633  1361.69   41.219  454.964   12.105  448.128   6.7876 6.836517 13.87830 
1 1 1   20    5    7 o  421.782   6.6704  1209.33   32.488  1203.03   66.441  1211.31   37.245  420.895   11.649  422.668   6.5025 -1.773071 13.34083 
1 1 1   20    5    8 o  470.768   7.1426  1498.37   38.818  1515.62   79.745  1493.01   44.438  472.322   12.459  469.215   6.9887 3.106628 14.28521 
1 1 1   20    5    9 o  365.177   6.5059  899.143   29.985  920.817   53.482  889.206   36.211  368.267   10.717  362.087   7.3799 6.180450 13.01187 
1 1 1   20    5   10 o  856.961   12.159  4948.91  132.046  5157.46  234.570  4852.16  159.765  869.228   19.914  844.695   13.957 24.53284 24.31804 
1 1 1   20    5   11 o  752.889   10.844  3801.41  103.189  4016.05  184.835  3704.22  124.376  767.508   17.771  738.270   12.432 29.23785 21.68806 
1 1 1   20    5   12 o  183.791   5.3346  234.688   12.163  215.120   21.739  243.605   14.675  178.033   9.0107  189.548   5.7130 -11.51523 10.66913 
1 1 1   20    5   13 o  220.744   5.4472  338.919   15.074  308.081   26.377  353.875   18.370  213.042   9.1366  228.446   5.9339 -15.40442 10.89443 
1 1 1   20    5   14 o  510.049   7.9689  1756.41   51.602  1800.28   91.015  1735.63   62.644  514.461   13.055  505.638   9.1423 8.823120 15.93785 
1 1 1   20    5   15 o  503.753   7.4337  1707.92   43.352  1755.05   89.024  1693.27   49.635  507.925   12.934  499.582   7.3316 8.343048 14.86731 
1 1 1   20    5   16 o  585.581   8.3196  2323.33   56.710  2347.66  115.027  2315.52   65.182  587.078   14.458  584.084   8.2351 2.993469 16.63927 
1 1 1   20    5   17 o  385.060   6.2767  1011.36   28.018  997.831   56.848  1015.70   32.200  383.140   10.949  386.980   6.1403 -3.839844 12.55331 
1 1 1   20    5   18 o  221.554   4.9877  326.776   12.492  344.503   26.714  321.814   14.133  225.243   8.7518  217.864   4.7870 7.379349 9.975463 
1 1 1   20    5   19 o  345.443   5.0464  808.570   23.606  774.981   32.658  845.321   34.160  337.941   7.1312  352.944   7.1422 -15.00256 10.09286 
1 1 1   20    5   20 o  389.349   5.4012  1028.53   28.491  1006.36   39.758  1051.93   40.848  385.040   7.6197  393.658   7.6572 -8.617615 10.80243 
1 1 1   20    5   21 o  370.298   5.2546  930.768   26.367  928.983   37.147  932.580   37.432  369.942   7.4099  370.654   7.4524 -0.7116699 10.50926 
1 1 1   20    5   22 o  533.282   6.6788  1931.41   48.247  1996.19   69.353  1870.66   67.163  541.941   9.4435  524.623   9.4471 17.31763 13.35761 
1 1 1   20    5   23 o  423.501   6.9920  1245.37   38.448  1123.28   62.494  1319.73   48.770  406.207   11.353  440.796   8.1646 -34.58917 13.98397 
1 1 1   20    5   24 o  389.903   6.5574  1029.49   32.872  1046.05   56.414  1020.98   40.448  392.068   10.618  387.739   7.6979 4.329132 13.11480 
1 1 1   20    5   25 o  368.480   7.5479  925.278   37.626  946.261   52.093  902.390   54.405  372.910   10.308  364.051   11.028 8.858978 15.09573 
1 1 1   20    5   26 o  168.154   6.3768  193.080   14.436  200.848   19.579  183.825   21.371  171.915   8.4041  164.394   9.5930 7.520432 12.75360 
1 1 1   20    5   27 o  343.142   5.0547  799.664   23.501  815.586   33.263  783.793   33.209  346.560   7.0828  339.725   7.2135 6.835724 10.10941 
1 1 1   20    5   28 o  154.718   4.1264  162.422   8.6474  161.625   12.031  163.274   12.438  154.329   5.7528  155.107   5.9173 -0.7783966 8.252773 
1 1 1   20    5   29 o  477.175   6.1822  1548.51   39.975  1551.30   56.319  1545.68   56.749  477.617   8.7015  476.733   8.7842 0.8835754 12.36440 
1 1 1   20    5   30 o  226.960   4.3171  349.291   13.269  338.767   18.374  360.762   19.183  223.394   6.0695  230.526   6.1408 -7.132721 8.634140 
1 1 1   20    5   31 o  273.103   5.6789  510.434   19.865  496.706   33.981  517.561   24.484  270.139   9.2826  276.067   6.5446 -5.927368 11.35776 
1 1 1   20    5   32 o  131.913   5.2552  118.444   8.8484  117.724   15.327  118.804   10.837  131.544   8.5979  132.282   6.0453 -0.7376404 10.51044 
1 1 1   20    5   33 o  312.503   5.7646  652.454   23.073  629.464   28.105  699.981   40.409  304.389   6.8135  320.617   9.3005 -16.22827 11.52926 
1 1 1   20    5   34 o  222.607   5.0183  321.967   14.344  293.748   17.356  382.782   25.479  207.977   6.1582  237.236   7.9254 -29.25859 10.03669 
1 1 1   20    5   35 o  136.592   4.2001  126.793   7.7668  129.362   10.817  124.058   11.159  138.029   5.7828  135.155   6.0929 2.874680 8.400220 
1 1 1   20    5   36 o  147.048   4.1943  146.956   8.3490  149.571   11.605  144.149   12.020  148.414   5.7703  145.682   6.0888 2.732834 8.388637 
1 1 1   20    5   37 o  325.924   4.9751  722.054   21.960  756.849   31.301  688.322   30.818  333.673   6.9223  318.175   7.1476 15.49829 9.950191 
1 1 1   20    5   38 o  381.536   5.4164  988.883   27.974  1056.09   40.382  926.873   38.789  394.000   7.5632  369.072   7.7555 24.92847 10.83284 
1 1 1   20    5   39 o  301.265   4.8193  616.633   19.665  604.185   27.286  630.087   28.366  298.113   6.7541  304.417   6.8763 -6.304443 9.638537 
1 1 1   20    5   40 o  131.410   4.3427  116.773   7.7093  104.926   10.531  130.455   11.317  124.256   6.2540  138.564   6.0269 -14.30869 8.685354 
1 1 1   20    5   41 o  118.342   4.5047   94.838   7.2055   85.927   9.8848  104.943   10.526  112.425   6.4882  124.259   6.2508 -11.83378 9.009370 
1 1 1   20    5   42 o  259.034   4.6085  456.304   16.171  459.109   22.597  453.360   23.151  259.864   6.4169  258.204   6.6163 1.659851 9.216962 
1 1 1   20    5   43 o   43.887   9.2968   7.9573   5.5398   3.2234   6.2504   25.296   11.962   28.375   11.136   59.398   14.890 -31.02315 18.59354 
1 1 1   20    5   44 o  264.654   5.9210  473.483   19.450  467.528   23.174  487.677   35.779  262.185   6.5224  267.123   9.8839 -4.938324 11.84205 
1 1 1   20    5   45 o  374.373   5.4123  952.578   27.424  908.630   37.662  1002.18   40.010  365.215   7.6098  383.530   7.6982 -18.31555 10.82457 
1 1 1   20    5   46 o  212.988   4.4507  308.805   12.833  323.769   18.115  293.730   18.183  218.193   6.1266  207.782   6.4575 10.41093 8.901425 
1 1 1   20    5   47 o  218.052   5.3898  320.681   15.169  335.342   25.989  313.107   18.680  221.601   8.6544  214.503   6.4264 7.098160 10.77951 
1 1 1   20    5   48 o  134.769   5.4474  119.422   9.4773  138.407   16.566  110.184   11.555  142.336   8.5883  127.201   6.7035 15.13465 10.89482 
1 1 1   20    5   49 o  186.845   5.3290  227.098   12.794  272.937   22.724  205.823   15.481  199.854   8.3907  173.836   6.5719 26.01825 10.65798 
1 1 1   20    5   50 o  271.168   4.7538  501.140   17.464  498.983   24.393  503.408   25.014  270.586   6.6524  271.750   6.7926 -1.163666 9.507578 
1 1 1   20    5   51 o  161.771   4.5122  178.415   9.8381  203.627   14.139  154.751   13.698  172.904   6.0342  150.639   6.7103 22.26527 9.024401 
1 1 1   20    5   52 o  138.928   4.5788  131.126   8.5920  117.026   11.786  147.117   12.552  130.966   6.6409  146.891   6.3057 -15.92555 9.157665 
1 1 1   20    5   53 o  146.242   4.5147  146.069   8.9366  149.452   12.434  142.456   12.853  148.024   6.1989  144.459   6.5654 3.564224 9.029413 
1 1 1   20    5   54 o  113.515   5.5780   87.878   8.3012   86.520   10.454   90.195   13.658  112.497   6.8571  114.533   8.7999 -2.035774 11.15606 
1 1 1   20    5   55 o  117.916   4.8446   95.276   7.7292  100.292   10.857   90.121   11.006  121.106   6.6155  114.725   7.0792 6.380959 9.689181 
1 1 1   20    5   56 o  106.213   4.9461   77.273   7.1176   75.579   9.9448   79.052   10.191  105.022   6.9877  107.405   7.0021 -2.383629 9.892282 
1 1 1   20    5   57 o   88.947   5.3410   54.514   6.4124   60.131   9.0805   48.927   9.0565   93.592   7.1595   84.301   7.9277 9.291664 10.68207 
1 1 1   20    5   58 o   31.861   8.0316   5.1015   4.7537   10.454   6.7803  -0.0732   6.6667   38.437   11.845   25.285   10.850 13.15224 16.06311 
1 1 1   20    5   59 o  107.214   6.6872   80.999   8.7007   82.256   10.296   77.858   16.272  109.359   6.9477  105.070   11.428 4.288734 13.37438 
1 1 1   20    5   60 o  181.841   5.7756  220.821   13.025  209.171   15.384  250.305   24.474  174.431   6.5084  189.251   9.5430 -14.82027 11.55116 
1 1 1   20    5   61 o   76.926   5.8784   41.132   6.1179   38.051   8.5504   44.365   8.7573   73.922   8.5356   79.930   8.0849 -6.008919 11.75681 
1 1 1   20    5   62 o  162.165   5.7541  185.395   11.932  175.808   20.273  190.477   14.760  158.150   9.4596  166.181   6.5541 -8.031021 11.50826 
1 1 1   20    5   63 o   90.603   7.9104   60.906   9.2964   44.395   13.725   74.900   12.636   77.982   12.988  103.224   9.0336 -25.24138 15.82070 
1 1 1   20    5   64 o   88.386   7.1160   53.940   7.8799   60.187   14.455   51.298   9.3993   91.162   11.701   85.610   8.1020 5.552391 14.23200 
1 1 1   20    5   65 o  136.106   6.7682  128.669   12.483   0.0000   0.0000  128.669   12.483  ?   ?   136.106   6.7682      ?      ? 
1 1 1   20    5   66 o   91.098   5.5957   58.110   6.8779   66.054   10.019   51.031   9.4584   97.086   7.6155   85.109   8.2009 11.97668 11.19149 
1 1 1   20    5   67 o   77.226   6.0481   42.272   6.3210   45.125   9.0167   39.515   8.8639   79.876   8.3301   74.576   8.7709 5.299850 12.09620 
1 1 1   20    5   68 o  104.674   5.2687   77.062   7.4650   80.890   10.533   73.200   10.581  107.394   7.2378  101.955   7.6583 5.438591 10.53731 
1 1 1   20    5   69 o   48.176   8.5480   17.967   5.5710   17.760   7.9735   18.165   7.7869   47.841   12.247   48.511   11.929 -0.6696548 17.09607 
1 1 1   20    5   70 o   88.074   6.6349   54.546   7.7333   49.609   9.7681   62.836   12.658   83.277   8.6556   92.870   10.058 -9.592125 13.26981 
1 1 1   20    5   71 f   73.834   6.4892   39.371   6.4921   39.798   9.1536   38.940   9.2091   74.278   9.0939   73.391   9.2596 0.8874054 12.97840 
1 1 1   20    5   72 o   71.471   6.9770   37.865   6.4254   47.955   9.2706   28.537   8.9136   81.805   8.3626   61.136   11.171 20.66934 13.95407 
1 1 1   20    5   73 o  112.349   5.3704   89.632   8.1635   93.705   11.962   86.081   11.169  114.657   7.6984  110.040   7.4900 4.617653 10.74088 
1 1 1   20    5   74 o   46.295   10.458   17.576   7.1794   16.523   8.9084   19.527   12.127   44.922   13.524   47.668   15.956 -2.745663 20.91648 
1 1 1   20    5   75 o   32.440   9.5187   4.7556   6.7025   2.9358   8.5151   7.7194   10.867   29.328   12.412   35.552   14.435 -6.223646 19.03739 
1 1 1   20    5   76 o   32.563   8.8090   5.8049   5.6902   12.329   8.6148   0.7555   7.5788   38.999   13.442   26.127   11.389 12.87276 17.61806 
1 1 1   20    5   77 o   55.192   10.462   25.517   7.7213   21.148   9.5498   33.763   13.121   49.486   13.748   60.898   15.774 -11.41204 20.92419 
1 1 1   20    5   78 o   47.020   16.601   21.510   13.183   0.0000   0.0000   21.510   13.183  ?   ?    47.020   16.601      ?      ? 
1 1 1   20    5   79 o   42.201   16.019   17.028   12.627   0.0000   0.0000   17.028   12.627  ?   ?    42.201   16.019      ?      ? 
1 1 1   20    5   80 o   30.820   13.823   2.8129   11.965   0.0000   0.0000   2.8129   11.965  ?   ?    30.820   13.823      ?      ? 
1 1 1   20    6    0 o  570.490   7.0448  2206.01   54.428  2128.72   75.377  2290.21   78.676  560.065   9.9316  580.915   9.9941 -20.84991 14.08968 
1 1 1   20    6    1 o  486.841   6.2776  1605.92   41.388  1547.13   57.297  1670.06   59.850  477.538   8.8541  496.144   8.9016 -18.60614 12.55522 
1 1 1   20    6    2 o  364.866   5.2296  902.749   25.856  892.203   36.327  913.578   36.810  362.707   7.3908  367.026   7.4009 -4.318634 10.45929 
1 1 1   20    6    3 o  716.959   9.8448  3493.51   82.257  3496.78  166.170  3492.45   94.670  716.568   17.112  717.351   9.7387 -0.7828369 19.68954 
1 1 1   20    6    4 o  702.377   9.6703  3340.96   79.077  3379.05  160.397  3328.73   90.891  704.416   16.803  700.338   9.5770 4.078369 19.34053 
1 1 1   20    6    5 o  517.969   9.4741  1822.99   66.482  1881.31   95.133  1767.32   92.946  526.068   13.345  509.870   13.452 16.19882 18.94826 
1 1 1   20    6    6 o  179.639   6.6376  219.611   16.111  229.434   22.279  208.845   23.324  183.874   8.9412  175.403   9.8126 8.471283 13.27527 
1 1 1   20    6    7 o  780.221   13.024  4149.74  137.653  4060.09  191.484  4245.62  198.022  771.535   18.314  788.907   18.523 -17.37207 26.04826 
1 1 1   20    6    8 o  612.800   10.705  2556.10   88.891  2602.58  126.436  2510.68  124.997  618.317   15.090  607.283   15.189 11.03351 21.41021 
1 1 1   20    6    9 o  1009.69   16.393  6981.39  224.203  7198.93  322.846  6778.75  311.596  1024.84   23.246  994.544   23.120 30.29590 32.78605 
1 1 1   20    6   10 o  357.344   7.6107  866.810   36.832  849.878   51.034  885.218   53.212  353.714   10.647  360.973   10.878 -7.259338 15.22134 
1 1 1   20    6   11 o  343.956   7.4565  803.914   34.742  813.330   48.628  794.097   49.652  346.029   10.370  341.884   10.717 4.144867 14.91302 
1 1 1   20    6   12 o  459.188   8.7193  1431.68   54.205  1382.66   74.683  1486.24   78.796  450.911   12.222  467.465   12.439 -16.55359 17.43857 
1 1 1   20    6   13 o  341.394   7.4260  792.172   34.345  809.269   48.368  774.785   48.776  345.125   10.342  337.663   10.659 7.461853 14.85191 
1 1 1   20    6   14 o  229.744   9.5494  358.514   29.731   0.0000   0.0000  358.514   29.731  ?   ?   229.744   9.5494      ?      ? 
1 1 1   20    6   15 o  253.739   9.6866  437.397   33.308   0.0000   0.0000  437.397   33.308  ?   ?   253.739   9.6866      ?      ? 
1 1 1   20    6   16 o  365.793   11.010  909.865   54.577   0.0000   0.0000  909.865   54.577  ?   ?   365.793   11.010      ?      ? 
1 1 1   20    6   17 o  335.591   10.611  765.754   48.254   0.0000   0.0000  765.754   48.254  ?   ?   335.591   10.611      ?      ? 
1 1 1   20    6   18 o  213.975   6.5178  309.799   18.842  295.461   25.476  327.114   27.996  208.545   9.0147  219.405   9.4160 -10.86034 13.03555 
1 1 1   20    6   19 o  423.845   8.3049  1223.10   47.686  1260.60   67.558  1185.85   67.319  430.349   11.584  417.342   11.903 13.00726 16.60973 
1 1 1   20    6   20 f  299.694   7.0296  606.930   28.450  565.954   38.330  657.192   42.452  288.515   9.8038  310.873   10.077 -22.35745 14.05923 
1 1 1   20    6   21 o  222.914   6.5104  333.418   19.538  297.481   25.934  380.590   29.713  209.206   9.1477  236.622   9.2663 -27.41629 13.02089 
1 1 1   20    6   22 o  129.854   5.4365  119.694   8.6333  102.092   15.481  127.638   10.401  122.541   9.3227  137.167   5.5954 -14.62524 10.87297 
1 1 1   20    6   23 o  324.719   4.9072  715.778   21.589  712.347   30.211  719.359   30.864  323.929   6.8822  325.509   6.9968 -1.579956 9.814311 
1 1 1   20    6   24 o  370.713   5.2612  933.435   26.428  943.399   37.296  923.386   37.456  372.707   7.3843  368.719   7.4962 3.987396 10.52240 
1 1 1   20    6   25 o  487.726   6.2780  1616.13   41.476  1680.67   59.568  1555.39   57.784  497.177   8.8413  478.274   8.9155 18.90320 12.55610 
1 1 1   20    6   26 o  249.631   4.4255  422.002   14.953  401.810   20.548  444.732   21.800  243.300   6.2321  255.961   6.2850 -12.66116 8.851054 
1 1 1   20    6   27 o  248.963   5.1397  409.616   16.490  386.134   20.131  457.504   28.748  238.498   6.2288  259.429   8.1773 -20.93073 10.27941 
1 1 1   20    6   28 o  245.531   5.2136  412.847   16.570  420.922   20.694  398.418   27.662  249.007   6.1327  242.054   8.4330 6.952789 10.42714 
1 1 1   20    6   29 o  379.742   7.4999  979.980   38.594  979.980   38.594   0.0000   0.0000  379.742   7.4999  ?   ?       ?      ? 
1 1 1   20    6   30 o  296.796   6.1039  609.138   22.584  625.310   27.267  573.807   40.303  303.421   6.6315  290.171   10.250 13.25000 12.20779 
1 1 1   20    6   31 o  357.044   5.1835  866.433   25.075  888.180   35.571  844.951   35.354  361.508   7.2610  352.580   7.3994 8.927765 10.36692 
1 1 1   20    6   32 o  193.833   4.2309  253.730   11.082  231.209   15.077  280.196   16.344  184.525   6.0294  203.141   5.9372 -18.61630 8.461884 
1 1 1   20    6   33 o  508.868   6.5000  1760.97   44.786  1856.36   64.764  1673.55   62.000  522.066   9.1544  495.671   9.2303 26.39447 13.00003 
1 1 1   20    6   34 o  340.714   6.2361  781.386   27.122  817.633   47.549  763.906   33.021  346.229   10.134  335.198   7.2696 11.03082 12.47212 
1 1 1   20    6   35 o  150.599   5.3179  157.717   10.191  143.824   17.345  165.040   12.593  145.314   8.8081  155.883   5.9615 -10.56937 10.63590 
1 1 1   20    6   36 o  232.235   4.4046  366.725   13.850  376.840   19.375  356.156   19.806  235.528   6.0702  228.942   6.3840 6.586349 8.809254 
1 1 1   20    6   37 o  308.783   4.8641  646.408   20.323  613.721   27.830  683.752   29.747  300.450   6.8353  317.115   6.9221 -16.66528 9.728110 
1 1 1   20    6   38 o  139.946   4.2837  132.782   8.1133  127.621   11.131  138.631   11.851  137.056   5.9930  142.837   6.1224 -5.781204 8.567396 
1 1 1   20    6   39 o  182.646   4.3112  226.233   10.658  217.457   14.645  236.117   15.541  178.892   6.0409  186.400   6.1525 -7.507645 8.622428 
1 1 1   20    6   40 o  387.794   5.4975  1023.34   28.876  1005.24   40.103  1042.82   41.614  384.253   7.7015  391.334   7.8470 -7.080505 10.99496 
1 1 1   20    6   41 o   68.181   6.5158   32.814   5.4450   18.596   7.4225   49.380   8.0121   51.164   11.030   85.197   6.9397 -34.03260 13.03159 
1 1 1   20    6   42 o  191.630   4.3303  248.857   11.227  232.558   15.408  267.305   16.393  184.959   6.1475  198.301   6.1004 -13.34151 8.660653 
1 1 1   20    6   43 o  226.347   5.3280  341.208   15.590  374.344   26.896  324.441   19.132  234.286   8.4714  218.408   6.4642 15.87868 10.65603 
1 1 1   20    6   44 o  397.349   6.7661  1053.43   34.256  1154.33   60.872  1006.67   41.441  410.410   10.945  384.288   7.9577 26.12186 13.53218 
1 1 1   20    6   45 o   98.423   5.0322   65.846   6.6894   64.503   9.0577   67.458   9.9218   97.338   6.8668   99.508   7.3579 -2.170349 10.06434 
1 1 1   20    6   46 o  273.908   6.0787  515.763   20.644  520.898   24.717  503.919   37.538  276.622   6.5936  271.195   10.214 5.427704 12.15749 
1 1 1   20    6   47 o  196.391   4.4501  262.410   11.836  259.424   16.407  265.651   17.091  195.240   6.2012  197.543   6.3843 -2.303146 8.900220 
1 1 1   20    6   48 o  155.565   4.5207  165.282   9.4782  186.091   13.459  144.808   13.350  165.353   6.0064  145.777   6.7579 19.57619 9.041379 
1 1 1   20    6   49 o  307.975   4.9815  646.521   20.779  633.453   28.822  660.667   29.986  304.756   6.9788  311.194   7.1105 -6.438721 9.963071 
1 1 1   20    6   50 o  259.283   5.6004  458.398   18.696  455.430   23.058  464.095   31.943  258.430   6.5840  260.135   9.0614 -1.704987 11.20079 
1 1 1   20    6   51 o  108.085   6.5727   80.477   9.5811   77.833   14.119   82.734   13.044  106.353   9.7968  109.818   8.7651 -3.465538 13.14546 
1 1 1   20    6   52 o  187.146   4.4796  238.841   11.356  232.900   15.803  245.187   16.331  184.745   6.3121  189.546   6.3580 -4.800659 8.959181 
1 1 1   20    6   53 o   83.959   5.4505   48.314   6.1985   46.372   8.7144   50.303   8.8185   82.237   7.8196   85.681   7.5950 -3.443283 10.90097 
1 1 1   20    6   54 o  214.095   4.5469  313.402   13.188  316.736   18.500  309.957   18.805  215.279   6.3415  212.911   6.5178 2.367706 9.093742 
1 1 1   20    6   55 o  116.092   4.7955   92.321   7.5429   92.698   10.578   91.931   10.759  116.347   6.7092  115.838   6.8537 0.5093918 9.590953 
1 1 1   20    6   56 o  118.579   4.7514   96.480   7.6247  102.222   10.784   90.740   10.782  122.152   6.5148  115.007   6.9180 7.144981 9.502722 
1 1 1   20    6   57 o  165.219   4.5625  187.153   10.208  196.916   14.547  177.684   14.327  169.499   6.3334  160.939   6.5692 8.559692 9.125040 
1 1 1   20    6   58 o  141.295   4.6383  137.052   8.8666  148.028   12.704  126.628   12.381  146.859   6.3835  135.732   6.7310 11.12700 9.276633 
1 1 1   20    6   59 o   73.922   5.8452   37.920   5.8538   37.161   8.3111   38.668   8.2462   73.163   8.3828   74.681   8.1482 -1.518074 11.69032 
1 1 1   20    6   60 o   95.018   5.4123   62.752   6.7852   82.273   9.8982   45.448   9.3195  109.256   6.6854   80.780   8.5135 28.47659 10.82466 
1 1 1   20    6   61 o   85.449   8.3481   52.095   9.6335   48.950   12.983   55.948   14.370   82.683   11.587   88.216   12.021 -5.533066 16.69615 
1 1 1   20    6   62 o  130.895   7.1923  121.110   12.686  116.696   16.946  126.737   19.135  128.446   9.7357  133.345   10.589 -4.899643 14.38457 
1 1 1   20    6   63 o  133.062   4.8440  122.820   8.7201  113.758   12.222  132.216   12.445  127.972   7.0477  138.152   6.6475 -10.17951 9.688069 
1 1 1   20    6   64 o   42.663   8.7183   13.759   5.3581   11.946   7.7149   15.449   7.4471   40.147   12.677   45.180   11.972 -5.033546 17.43654 
1 1 1   20    6   65 o   89.237   6.4853   54.026   7.5724   67.027   12.909   47.206   9.3500   96.715   9.8498   81.759   8.4390 14.95618 12.97054 
1 1 1   20    6   66 o   91.110   10.475   60.153   12.933   0.0000   0.0000   60.153   12.933  ?   ?    91.110   10.475      ?      ? 
1 1 1   20    6   67 o   95.612   7.6287   66.796   9.8513   66.526   14.496   67.027   13.429   95.134   11.244   96.090   10.313 -0.9558487 15.25738 
1 1 1   20    6   68 o   62.794   7.3067   29.438   5.9408   35.978   8.3812   22.833   8.4222   70.987   8.7125   54.601   11.732 16.38661 14.61343 
1 1 1   20    6   69 o   50.120   8.3583   19.475   5.5986   17.419   7.9841   21.464   7.8529   47.229   12.339   53.011   11.278 -5.782635 16.71662 
1 1 1   20    6   70 o   89.985   5.6498   57.609   6.8636   51.478   9.5944   64.035   9.8228   84.888   8.3404   95.081   7.6236 -10.19328 11.29964 
1 1 1   20    6   71 o   64.387   7.2297   31.216   6.0187   24.484   8.5654   37.782   8.4589   56.279   11.616   72.496   8.6103 -16.21742 14.45940 
1 1 1   20    6   72 o   64.730   7.4914   31.612   6.2236   42.170   9.0738   22.233   8.5523   76.364   8.7683   53.096   12.149 23.26758 14.98280 
1 1 1   20    6   73 f   74.431   6.5959   40.383   6.6023   47.557   9.6821   34.148   9.0264   80.867   8.8352   67.994   9.7962 12.87308 13.19189 
1 1 1   20    6   74 o   43.937   10.375   15.961   7.0525   15.404   8.7563   16.990   11.899   43.226   13.484   44.648   15.771 -1.422089 20.74968 
1 1 1   20    6   75 o   43.106   10.686   13.104   8.8024   27.626   12.914   0.5024   12.030   55.065   16.214   31.147   13.923 23.91743 21.37162 
1 1 1   20    6   76 o   37.037   15.174   9.5173   12.144   0.0000   0.0000   9.5173   12.144  ?   ?    37.037   15.174      ?      ? 
1 1 1   20    6   77 o   37.911   15.393   11.162   12.357   0.0000   0.0000   11.162   12.357  ?   ?    37.911   15.393      ?      ? 
1 1 1   20    6   78 o   61.052   16.882   37.178   14.435   0.0000   0.0000   37.178   14.435  ?   ?    61.052   16.882      ?      ? 
1 1 1   20    6   79 o   47.630   16.527   23.783   13.033   0.0000   0.0000   23.783   13.033  ?   ?    47.630   16.527      ?      ? 
1 1 1   20    7    0 f  233.405   5.0906  360.452   15.436  400.728   26.409  339.552   19.024  243.037   8.0187  223.773   6.2737 19.26411 10.18129 
1 1 1   20    7    1 o  613.575   9.0331  2519.05   70.449  2674.62  124.985  2446.60   85.289  626.912   14.712  600.238   10.485 26.67438 18.06613 
1 1 1   20    7    2 o  379.013   7.2631  974.826   37.292  1002.85   53.565  948.462   51.950  384.296   10.286  373.731   10.258 10.56467 14.52624 
1 1 1   20    7    3 o  483.057   12.176  1586.07   79.706   0.0000   0.0000  1586.07   79.706  ?   ?   483.057   12.176      ?      ? 
1 1 1   20    7    4 o  166.038   9.9545  187.203   22.398   0.0000   0.0000  187.203   22.398  ?   ?   166.038   9.9545      ?      ? 
1 1 1   20    7    5 o  441.753   12.319  1326.80   73.748   0.0000   0.0000  1326.80   73.748  ?   ?   441.753   12.319      ?      ? 
1 1 1   20    7    6 o  513.180   9.5195  1791.83   66.198  1817.14   94.079  1767.00   93.163  516.774   13.434  509.586   13.491 7.188385 19.03898 
1 1 1   20    7    7 o  375.236   7.8779  956.737   40.045  950.671   55.842  963.160   57.458  374.024   11.017  376.448   11.263 -2.423950 15.75573 
1 1 1   20    7    8 o  545.502   9.8680  2026.22   72.943  2048.59  103.117  2003.82  103.197  548.531   13.872  542.472   14.038 6.058716 19.73592 
1 1 1   20    7    9 o  590.274   10.445  2374.18   83.546  2412.79  118.562  2336.10  117.746  595.057   14.703  585.492   14.840 9.564331 20.89044 
1 1 1   20    7   10 f  437.330   8.5260  1299.13   50.484  1257.57   69.616  1345.22   73.317  429.980   11.948  444.680   12.167 -14.70044 17.05203 
1 1 1   20    7   11 o  247.574   6.7932  415.369   22.745  401.433   31.002  431.612   33.471  243.101   9.4108  252.047   9.7995 -8.945908 13.58646 
1 1 1   20    7   12 o  551.862   9.9339  2075.39   74.281  2123.16  105.532  2028.48  104.572  558.178   13.952  545.547   14.145 12.63092 19.86782 
1 1 1   20    7   13 o  349.830   7.5698  831.441   35.853  816.860   49.483  847.555   52.019  346.623   10.535  353.036   10.873 -6.413086 15.13952 
1 1 1   20    7   14 o  232.981   6.6526  368.794   20.968  368.272   28.821  369.382   30.563  232.824   9.1346  233.137   9.6739 -0.3128662 13.30511 
1 1 1   20    7   15 o  511.872   9.4064  1785.99   65.240  1813.36   92.121  1758.45   92.408  515.835   13.178  507.910   13.426 7.924896 18.81283 
1 1 1   20    7   16 f  215.248   6.5404  314.659   19.029  312.100   25.948  317.636   27.989  214.323   8.9341  216.173   9.5545 -1.849503 13.08079 
1 1 1   20    7   17 o  184.615   6.5295  229.817   16.253  214.295   21.693  249.677   24.539  177.579   9.0147  191.651   9.4484 -14.07243 13.05894 
1 1 1   20    7   18 o  261.529   6.8147  465.915   24.107  488.116   33.669  442.561   34.532  267.967   9.2718  255.090   9.9896 12.87692 13.62936 
1 1 1   20    7   19 o  160.482   6.5833  175.233   14.217  176.260   19.043  173.940   21.367  161.047   8.7259  159.917   9.8600 1.129288 13.16664 
1 1 1   20    7   20 o  195.818   8.7788  260.628   23.295  260.628   23.295   0.0000   0.0000  195.818   8.7788  ?   ?       ?      ? 
1 1 1   20    7   21 o  498.513   12.928  1695.81   87.338  1695.81   87.338   0.0000   0.0000  498.513   12.928  ?   ?       ?      ? 
1 1 1   20    7   22 o  379.973   10.931  983.430   56.287  983.430   56.287   0.0000   0.0000  379.973   10.931  ?   ?       ?      ? 
1 1 1   20    7   23 o  367.217   7.7344  918.857   38.455  922.263   53.328  915.168   55.504  367.971   10.694  366.464   11.177 1.506531 15.46882 
1 1 1   20    7   24 o  164.516   6.4688  185.069   14.322  193.948   19.446  174.543   21.172  168.896   8.4964  160.136   9.7566 8.759644 12.93760 
1 1 1   20    7   25 o  102.976   7.1396   71.850   9.8442   69.954   12.885   74.510   15.258  101.387   9.3780  104.564   10.768 -3.176796 14.27920 
1 1 1   20    7   26 o  191.865   4.1125  249.915   10.688  251.653   14.916  248.081   15.321  192.556   5.7163  191.174   5.9139 1.382523 8.225006 
1 1 1   20    7   27 o  356.538   5.1636  863.200   24.937  845.398   34.626  882.382   35.943  352.729   7.2439  360.346   7.3606 -7.616425 10.32725 
1 1 1   20    7   28 o  226.833   4.3014  349.282   13.216  347.191   18.381  351.520   19.015  226.137   5.9980  227.529   6.1669 -1.392273 8.602758 
1 1 1   20    7   29 o  138.132   4.0717  129.506   7.6157  128.883   10.550  130.185   11.005  137.790   5.6498  138.474   5.8647 -0.6843719 8.143420 
1 1 1   20    7   30 o  275.372   4.5987  515.264   17.154  521.628   24.022  508.641   24.505  277.120   6.3966  273.625   6.6087 3.494324 9.197403 
1 1 1   20    7   31 o  228.384   4.3626  354.447   13.474  384.082   19.190  325.636   18.922  237.822   5.9545  218.945   6.3775 18.87701 8.725136 
1 1 1   20    7   32 o  323.513   6.3394  721.231   25.545  734.680   30.757  691.326   45.864  328.775   6.9035  318.250   10.635 10.52454 12.67886 
1 1 1   20    7   33 o  200.097   4.2777  272.539   11.572  290.550   16.245  253.985   16.489  206.843   5.7957  193.351   6.2931 13.49193 8.555328 
1 1 1   20    7   34 o  393.747   5.5056  1052.37   29.331  1137.39   42.581  975.609   40.461  408.865   7.6852  378.630   7.8856 30.23441 11.01114 
1 1 1   20    7   35 o  235.435   4.4271  375.643   14.104  358.267   19.315  395.490   20.642  229.624   6.2072  241.247   6.3142 -11.62238 8.854292 
1 1 1   20    7   36 o  157.066   4.2106  167.550   8.9555  166.321   12.410  168.885   12.936  156.472   5.8528  157.659   6.0548 -1.187073 8.421143 
1 1 1   20    7   37 o  252.683   5.6273  434.742   18.177  434.805   31.432  434.710   22.280  252.490   9.1865  252.876   6.5018 -0.3861389 11.25453 
1 1 1   20    7   38 o  255.927   5.4304  438.822   18.016  469.953   30.739  422.531   22.236  262.570   8.6389  249.283   6.5823 13.28635 10.86082 
1 1 1   20    7   39 o  155.859   5.0024  161.128   10.251  182.070   17.072  149.320   12.819  163.519   7.7041  148.199   6.3830 15.32047 10.00482 
1 1 1   20    7   40 o  252.423   4.6147  432.430   15.727  486.940   22.783  382.813   21.736  267.621   6.2821  237.224   6.7615 30.39696 9.229464 
1 1 1   20    7   41 o  278.253   4.7171  526.241   17.754  571.873   25.513  483.392   24.723  289.968   6.4927  266.538   6.8447 23.43030 9.434182 
1 1 1   20    7   42 o  247.610   4.5546  416.292   15.266  401.592   20.989  432.799   22.242  242.988   6.3743  252.232   6.5073 -9.244064 9.109129 
1 1 1   20    7   43 o  112.546   4.6098   86.878   6.9679   98.168   9.7274   74.981   9.9860  120.154   5.9742  104.938   7.0222 15.21539 9.219654 
1 1 1   20    7   44 f  205.473   4.4328  285.727   12.310  264.232   16.711  311.227   18.202  197.070   6.2576  213.875   6.2801 -16.80510 8.865522 
1 1 1   20    7   45 o  261.992   4.6879  467.824   16.626  490.122   23.423  445.182   23.603  268.326   6.4416  255.658   6.8127 12.66785 9.375894 
1 1 1   20    7   46 o   98.435   5.8959   69.787   7.3676   79.479   9.3715   54.103   11.921  108.037   6.4011   88.832   9.9032 19.20579 11.79182 
1 1 1   20    7   47 o  152.461   5.2903  163.336   10.371  175.582   13.073  142.543   17.035  160.597   6.0071  144.326   8.7100 16.27104 10.58064 
1 1 1   20    7   48 o  222.038   5.8682  336.378   15.955  335.094   18.873  339.593   29.870  221.761   6.2802  222.316   9.9148 -0.5546265 11.73641 
1 1 1   20    7   49 o  254.757   4.6696  442.447   16.112  434.314   22.343  451.258   23.256  252.338   6.5338  257.176   6.6730 -4.838303 9.339138 
1 1 1   20    7   50 o  187.736   4.4454  240.536   11.301  243.925   15.746  236.938   16.228  189.128   6.1439  186.344   6.4264 2.784622 8.890832 
1 1 1   20    7   51 o  194.106   4.4845  256.959   11.789  250.431   16.321  264.081   17.046  191.544   6.2878  196.669   6.3959 -5.125763 8.969009 
1 1 1   20    7   52 o  211.389   4.5789  305.530   13.104  321.635   18.564  289.537   18.500  216.988   6.3133  205.789   6.6338 11.19902 9.157822 
1 1 1   20    7   53 o  110.915   5.9905   85.730   8.5614   81.237   14.339   88.220   10.673  108.339   9.7667  113.492   6.9394 -5.152962 11.98096 
1 1 1   20    7   54 o  149.279   4.5959  152.598   9.2955  154.701   13.082  150.454   13.210  150.336   6.4216  148.221   6.5767 2.114746 9.191887 
1 1 1   20    7   55 o  117.168   4.8583   93.839   7.6750   81.418   10.527  107.934   11.214  108.866   7.1356  125.471   6.5952 -16.60535 9.716635 
1 1 1   20    7   56 o  138.992   4.6175  132.302   8.6881  125.181   11.989  140.178   12.608  135.056   6.5508  142.928   6.5094 -7.872665 9.235003 
1 1 1   20    7   57 o   93.517   5.2507   60.184   6.5800   48.822   9.0327   73.031   9.6048   84.016   7.9336  103.017   6.8801 -19.00104 10.50135 
1 1 1   20    7   58 o  139.587   5.8264  140.729   10.361  116.914   17.016  154.758   13.061  129.163   9.7217  150.011   6.4248 -20.84822 11.65282 
1 1 1   20    7   59 o   59.428   7.2131   25.288   5.6472   28.965   8.1055   21.820   7.8722   64.285   9.3044   54.571   11.025 9.713882 14.42615 
1 1 1   20    7   60 o  109.938   5.0417   83.533   7.4898   75.139   10.359   92.728   10.842  104.091   7.3437  115.786   6.9100 -11.69533 10.08349 
1 1 1   20    7   61 o   55.976   7.3712   22.498   5.4538   18.995   7.4061   26.648   8.0611   50.599   11.106   61.354   9.6955 -10.75506 14.74245 
1 1 1   20    7   62 o   86.958   5.5517   52.547   6.4812   43.396   8.8259   63.259   9.5484   78.638   8.2821   95.278   7.3953 -16.64001 11.10330 
1 1 1   20    7   63 o   76.856   8.6892   46.212   7.5120   48.938   8.8092   38.946   14.382   83.575   7.7782   70.136   15.540 13.43839 17.37837 
1 1 1   20    7   64 o   65.313   8.8549   30.273   7.8373   30.273   7.8373   0.0000   0.0000   65.313   8.8549  ?   ?       ?      ? 
1 1 1   20    7   65 o   46.564   8.3456   16.548   5.2663   15.947   7.2314   17.226   7.6846   45.716   11.641   47.412   11.961 -1.695499 16.69114 
1 1 1   20    7   66 o   42.274   8.2871   13.178   5.1784   7.4944   7.0513   19.831   7.6296   33.479   12.105   51.069   11.322 -17.59013 16.57413 
1 1 1   20    7   67 o   90.799   5.5121   58.110   6.7610   52.051   9.3112   64.868   9.8330   85.698   8.0177   95.900   7.5664 -10.20169 11.02421 
1 1 1   20    7   68 o  119.500   7.1861  100.511   11.637   0.0000   0.0000  100.511   11.637  ?   ?   119.500   7.1861      ?      ? 
1 1 1   20    7   69 o   43.636   10.118   14.662   7.1730   9.1882   10.012   20.435   10.281   37.192   14.229   50.079   14.388 -12.88698 20.23565 
1 1 1   20    7   70 o   67.944   6.7560   33.636   6.2123   31.459   8.6960   35.905   8.8780   65.582   9.7848   70.305   9.3185 -4.722641 13.51205 
1 1 1   20    7   71 o   67.917   8.5542   32.570   7.3398   26.456   8.8184   46.357   13.242   58.392   11.553   77.441   12.618 -19.04923 17.10850 
1 1 1   20    7   72 o   61.032   11.142   32.287   9.7261   44.686   14.020   20.783   13.504   73.404   14.608   48.661   16.827 24.74260 22.28307 
1 1 1   20    7   73 o   63.857   15.884   35.809   13.688   0.0000   0.0000   35.809   13.688  ?   ?    63.857   15.884      ?      ? 
1 1 1   20    7   74 o   36.310   15.017   8.1726   12.039   0.0000   0.0000   8.1726   12.039  ?   ?    36.310   15.017      ?      ? 
1 1 1   20    7   75 o   55.694   16.680   29.456   13.577   0.0000   0.0000   29.456   13.577  ?   ?    55.694   16.680      ?      ? 
1 1 1   20    7   76 o  102.749   12.695   86.871   17.677   0.0000   0.0000   86.871   17.677  ?   ?   102.749   12.695      ?      ? 
1 1 1   20    7   77 o   44.586   16.324   19.673   12.883   0.0000   0.0000   19.673   12.883  ?   ?    44.586   16.324      ?      ? 
1 1 1   20    8    0 o  389.705   7.7585  1030.57   40.973  1030.57   40.973   0.0000   0.0000  389.705   7.7585  ?   ?       ?      ? 
1 1 1   20    8    1 o  222.103   4.4178  334.528   13.295  328.012   18.687  341.207   18.920  219.913   6.2707  224.294   6.2247 -4.381149 8.835631 
1 1 1   20    8    2 o  487.747   6.3137  1615.12   41.728  1602.68   58.598  1627.93   59.436  485.844   8.9003  489.650   8.9574 -3.805634 12.62740 
1 1 1   20    8    3 o  270.250   9.8867  496.164   36.208  496.164   36.208   0.0000   0.0000  270.250   9.8867  ?   ?       ?      ? 
1 1 1   20    8    4 o  139.549   7.4220  132.811   13.979  139.054   19.226  125.808   20.362  143.063   9.9168  136.035   11.045 7.028748 14.84403 
1 1 1   20    8    5 o  137.741   7.4674  128.995   13.890  129.402   18.885  128.516   20.500  137.996   10.099  137.486   11.003 0.5100403 14.93490 
1 1 1   20    8    6 o  346.195   11.022  814.953   51.707   0.0000   0.0000  814.953   51.707  ?   ?   346.195   11.022      ?      ? 
1 1 1   20    8    7 o  454.647   12.432  1407.08   76.592  1407.08   76.592   0.0000   0.0000  454.647   12.432  ?   ?       ?      ? 
1 1 1   20    8    8 o  134.716   7.2594  123.426   13.228  124.312   18.201  122.434   19.259  135.243   9.9313  134.190   10.591 1.053528 14.51872 
1 1 1   20    8    9 o  185.792   6.9766  236.592   17.379  273.213   24.410  198.944   24.749  200.546   8.9819  171.039   10.678 29.50632 13.95319 
1 1 1   20    8   10 o  173.350   9.5069  204.221   22.333  204.221   22.333   0.0000   0.0000  173.350   9.5069  ?   ?       ?      ? 
1 1 1   20    8   11 o  629.612   15.481  2708.04  132.082  2708.04  132.082   0.0000   0.0000  629.612   15.481  ?   ?       ?      ? 
1 1 1   20    8   12 o  297.531   9.9854  601.937   40.261  601.937   40.261   0.0000   0.0000  297.531   9.9854  ?   ?       ?      ? 
1 1 1   20    8   13 o  467.156   12.445  1487.10   78.784  1487.10   78.784   0.0000   0.0000  467.156   12.445  ?   ?       ?      ? 
1 1 1   20    8   14 o  451.648   12.153  1389.90   74.383  1389.90   74.383   0.0000   0.0000  451.648   12.153  ?   ?       ?      ? 
1 1 1   20    8   15 o  115.114   7.3954   91.838   11.312  102.330   15.190   78.773   16.951  122.691   9.1362  107.537   11.632 15.15370 14.79076 
1 1 1   20    8   16 o  597.502   10.570  2440.98   85.572  2443.32  120.015  2438.56  122.044  597.841   14.814  597.162   15.081 0.6791382 21.13996 
1 1 1   20    8   17 o  311.858   7.2570  661.889   30.623  661.825   42.172  661.961   44.540  311.880   9.9781  311.837   10.540 0.4342651E-01 14.51402 
1 1 1   20    8   18 o  388.286   7.9939  1026.20   42.017  1006.47   57.871  1048.20   61.102  384.379   11.110  392.193   11.497 -7.813385 15.98774 
1 1 1   20    8   19 o  337.650   7.4934  772.577   34.185  728.515   46.218  825.802   50.797  327.100   10.427  348.201   10.765 -21.10052 14.98690 
1 1 1   20    8   20 o  472.123   8.9609  1521.62   57.310  1521.15   79.976  1522.12   82.165  472.095   12.501  472.151   12.842 -0.5676270E-01 17.92173 
1 1 1   20    8   21 o  162.249   6.6396  179.347   14.489  180.952   19.389  177.317   21.804  163.117   8.7716  161.382   9.9699 1.734299 13.27928 
1 1 1   20    8   22 o  151.551   6.7099  156.948   13.662  161.546   18.321  151.189   20.504  154.111   8.7725  148.992   10.155 5.119354 13.41975 
1 1 1   20    8   23 o  123.582   7.1013  105.670   11.649  114.146   15.408   94.361   17.798  129.535   8.7779  117.629   11.165 11.90556 14.20254 
1 1 1   20    8   24 o  150.313   6.6507  154.146   13.445  156.623   18.028  151.040   20.183  151.723   8.7683  148.902   10.002 2.821411 13.30137 
1 1 1   20    8   25 o  204.680   6.5297  284.347   18.041  275.963   24.314  294.618   26.911  201.366   8.9102  207.993   9.5476 -6.626526 13.05940 
1 1 1   20    8   26 o  128.556   6.9346  113.077   11.924  115.748   15.758  109.499   18.240  130.401   8.9171  126.710   10.623 3.691147 13.86924 
1 1 1   20    8   27 o  249.749   6.7624  423.344   22.806  407.003   30.757  443.299   33.989  244.456   9.2846  255.043   9.8344 -10.58705 13.52477 
1 1 1   20    8   28 o  448.985   7.4887  1366.41   42.057  1352.14   50.435  1398.98   76.199  445.752   8.3494  452.218   12.434 -6.466125 14.97739 
1 1 1   20    8   29 o  263.300   4.5238  470.922   16.135  469.119   22.483  472.836   23.169  262.789   6.3133  263.810   6.4808 -1.020599 9.047566 
1 1 1   20    8   30 o  105.872   4.1497   76.321   5.9367   79.716   8.2156   72.612   8.5883  108.353   5.5952  103.391   6.1297 4.962265 8.299376 
1 1 1   20    8   31 o  132.733   4.1259  119.639   7.4127  119.310   10.234  120.002   10.752  132.549   5.6974  132.918   5.9691 -0.3688812 8.251710 
1 1 1   20    8   32 o  166.210   4.1385  187.566   9.3131  185.927   12.878  189.363   13.485  165.456   5.7435  166.963   5.9598 -1.506592 8.276943 
1 1 1   20    8   33 f  365.193   6.3078  897.317   29.677  946.282   51.145  872.464   36.438  372.296   10.137  358.091   7.5090 14.20538 12.61556 
1 1 1   20    8   34 o  279.983   6.7544  536.344   25.427  547.636   34.108  522.220   38.148  283.441   8.8800  276.525   10.180 6.915924 13.50883 
1 1 1   20    8   35 o  393.890   6.9953  1061.35   34.465  1064.56   41.470  1054.18   61.969  395.442   7.7387  392.338   11.655 3.103821 13.99059 
1 1 1   20    8   36 o  178.282   4.2806  214.513   10.306  195.721   13.923  237.291   15.328  169.705   6.0540  186.860   6.0534 -17.15503 8.561242 
1 1 1   20    8   37 o  118.666   4.3466   95.220   6.9708   86.997   9.4904  104.854   10.272  113.129   6.1905  124.204   6.1031 -11.07469 8.693175 
1 1 1   20    8   38 o  173.826   4.2578  205.275   10.018  203.262   13.818  207.506   14.546  172.939   5.8963  174.712   6.1439 -1.773178 8.515503 
1 1 1   20    8   39 o  165.836   5.3584  187.202   11.368  187.653   19.638  186.975   13.942  165.844   8.7382  165.828   6.2042 0.1646423E-01 10.71674 
1 1 1   20    8   40 o  236.580   4.5465  381.291   14.539  413.201   20.592  349.569   20.531  246.503   6.1644  226.658   6.6844 19.84511 9.092913 
1 1 1   20    8   41 o  172.165   5.1109  206.594   11.377  219.416   14.370  185.057   18.624  179.640   5.9032  164.691   8.3450 14.94922 10.22184 
1 1 1   20    8   42 o  176.648   5.0505  213.759   11.572  216.771   14.467  208.408   19.280  178.527   5.9801  174.768   8.1407 3.758774 10.10110 
1 1 1   20    8   43 o  161.708   4.3671  177.860   9.5527  176.571   13.100  179.323   13.960  161.103   6.0006  162.314   6.3465 -1.211548 8.734196 
1 1 1   20    8   44 o  100.767   4.9187   70.547   6.5531   86.733   9.1666   53.629   9.3718  112.895   5.9917   88.640   7.8021 24.25515 9.837317 
1 1 1   20    8   45 o  101.776   4.8557   70.150   6.6490   59.195   9.0433   83.040   9.8097   93.157   7.1635  110.396   6.5572 -17.23853 9.711486 
1 1 1   20    8   46 o  152.432   4.4187  158.205   9.1193  156.002   12.594  160.633   13.222  151.332   6.1410  153.532   6.3552 -2.200653 8.837486 
1 1 1   20    8   47 o  143.335   4.4747  140.169   8.6839  143.153   12.114  137.015   12.455  144.927   6.1681  141.743   6.4842 3.184616 8.949327 
1 1 1   20    8   48 o   60.437   6.5458   25.684   5.1476   30.887   7.3035   20.547   7.2565   67.154   8.0256   53.721   10.343 13.43287 13.09164 
1 1 1   20    8   49 o  125.166   5.9843   98.301   9.0204   88.681   10.365  128.338   18.315  113.932   6.7132  136.400   9.9085 -22.46812 11.96853 
1 1 1   20    8   50 o  246.194   6.1144  426.837   18.527  442.095   22.235  392.186   33.509  254.373   6.4505  238.015   10.389 16.35814 12.22870 
1 1 1   20    8   51 o  157.589   4.5143  170.058   9.6193  182.316   13.572  157.683   13.636  163.360   6.1306  151.818   6.6280 11.54114 9.028568 
1 1 1   20    8   52 o  117.950   6.7703   95.308   10.822   0.0000   0.0000   95.308   10.822  ?   ?   117.950   6.7703      ?      ? 
1 1 1   20    8   53 o  245.380   4.6841  412.426   15.566  405.013   21.563  420.492   22.493  243.112   6.5452  247.647   6.7023 -4.534821 9.368112 
1 1 1   20    8   54 o  183.992   6.5155  232.213   16.245   0.0000   0.0000  232.213   16.245  ?   ?   183.992   6.5155      ?      ? 
1 1 1   20    8   55 o   53.552   11.039   20.859   7.7447   0.0000   0.0000   20.859   7.7447  ?   ?    53.552   11.039      ?      ? 
1 1 1   20    8   56 o  155.429   4.5500  166.033   9.5820  164.400   13.413  167.734   13.694  154.661   6.3996  156.197   6.4694 -1.535919 9.099912 
1 1 1   20    8   57 o   96.592   5.1276   64.453   6.6914   57.926   9.3180   71.403   9.6151   91.475   7.5169  101.710   6.9760 -10.23476 10.25517 
1 1 1   20    8   58 o  103.595   5.0643   74.445   7.0864   81.021   10.004   67.822   10.039  108.300   6.8165   98.890   7.4915 9.409645 10.12856 
1 1 1   20    8   59 o   41.370   8.4100   12.529   4.9853   10.501   6.7871   14.906   7.3467   38.066   11.871   44.674   11.916 -6.608257 16.81998 
1 1 1   20    8   60 o   69.106   7.0900   32.922   6.3851   30.309   7.8828   37.906   10.888   65.605   8.8667   72.607   11.066 -7.002060 14.18005 
1 1 1   20    8   61 o   75.728   6.7189   38.009   6.6011   31.775   8.0377   50.925   11.570   67.073   8.8430   84.383   10.118 -17.30956 13.43784 
1 1 1   20    8   62 o   92.696   7.7313   60.251   9.7117   0.0000   0.0000   60.251   9.7117  ?   ?    92.696   7.7313      ?      ? 
1 1 1   20    8   63 o   34.127   8.5156   7.5986   4.9494   5.2647   6.6509   10.495   7.4093   30.411   11.606   37.843   12.465 -7.431288 17.03118 
1 1 1   20    8   64 o   47.749   8.1283   17.096   5.2914   11.969   7.1600   23.266   7.8546   39.771   12.158   55.726   10.791 -15.95530 16.25656 
1 1 1   20    8   65 o   73.211   8.2695   39.904   7.1859   39.541   8.5232   40.797   13.362   74.570   8.4344   71.852   14.227 2.717773 16.53897 
1 1 1   20    8   66 o   50.758   7.9527   19.868   5.5232   26.383   7.7031   12.975   7.9235   60.479   9.3989   41.037   12.831 19.44201 15.90537 
1 1 1   20    8   67 o   51.828   8.1043   20.571   5.5793   15.759   7.6712   25.976   8.1294   44.906   12.261   58.751   10.601 -13.84439 16.20859 
1 1 1   20    8   68 o   40.051   10.887   10.594   8.6035   15.958   11.967   4.8539   12.378   44.733   15.814   35.368   14.966 9.364899 21.77319 
1 1 1   20    8   69 o   96.832   12.607   72.104   16.542   0.0000   0.0000   72.104   16.542  ?   ?    96.832   12.607      ?      ? 
1 1 1   20    8   70 o   25.124   11.890  -9.0483   10.742   0.0000   0.0000  -9.0483   10.742  ?   ?    25.124   11.890      ?      ? 
1 1 1   20    8   71 o   47.921   16.347   20.058   12.732   0.0000   0.0000   20.058   12.732  ?   ?    47.921   16.347      ?      ? 
1 1 1   20    8   73 o   38.955   15.310   11.666   11.830   0.0000   0.0000   11.666   11.830  ?   ?    38.955   15.310      ?      ? 
1 1 1   20    8   74 o   59.058   16.566   33.019   13.796   0.0000   0.0000   33.019   13.796  ?   ?    59.058   16.566      ?      ? 
1 1 1   20    9    0 o  704.693   8.4140  3375.84   80.300  3501.07  116.039  3260.76  111.237  717.208   11.939  692.177   11.859 25.03082 16.82801 
1 1 1   20    9    1 o  537.624   6.7851  1964.26   49.433  1977.10   69.969  1951.46   69.848  539.383   9.5726  535.866   9.6187 3.516479 13.57029 
1 1 1   20    9    2 o  177.048   4.3068  212.674   10.332  214.917   14.554  210.395   14.670  177.991   6.0338  176.105   6.1472 1.886063 8.613674 
1 1 1   20    9    3 o  217.234   4.3677  320.208   12.856  323.392   18.068  316.942   18.295  218.332   6.1068  216.137   6.2463 2.194611 8.735476 
1 1 1   20    9    4 o  186.951   5.5742  231.251   12.833  251.834   24.253  223.247   15.124  192.503   9.2969  181.399   6.1526 11.10442 11.14839 
1 1 1   20    9    5 o  189.631   7.0113  244.825   17.972  249.709   24.704  239.335   26.194  191.669   9.5110  187.593   10.304 4.075348 14.02254 
1 1 1   20    9    6 o  503.614   9.4474  1729.77   64.466  1753.75   90.902  1705.50   91.439  507.158   13.227  500.070   13.493 7.088806 18.89476 
1 1 1   20    9    7 o  100.735   8.4569   68.962   11.502   67.389   15.533   70.872   17.113   99.485   11.522  101.985   12.383 -2.499962 16.91379 
1 1 1   20    9    8 o  378.871   8.0311  976.897   41.207  965.235   57.122  989.551   59.503  376.541   11.195  381.201   11.519 -4.660400 16.06225 
1 1 1   20    9    9 o  207.135   6.9705  290.102   19.502  271.001   26.313  313.383   29.050  199.624   9.7269  214.645   9.9871 -15.02164 13.94109 
1 1 1   20    9   10 o  397.823   11.825  1078.32   63.749   0.0000   0.0000  1078.32   63.749  ?   ?   397.823   11.825      ?      ? 
1 1 1   20    9   12 o  563.454   14.269  2169.59  108.954  2169.59  108.954   0.0000   0.0000  563.454   14.269  ?   ?       ?      ? 
1 1 1   20    9   13 f  175.762   6.9090  208.955   16.372  198.806   21.876  221.878   24.685  170.963   9.4424  180.562   10.088 -9.598755 13.81799 
1 1 1   20    9   14 o  253.547   6.9809  435.529   23.901  415.668   32.216  459.847   35.647  247.174   9.6180  259.921   10.120 -12.74669 13.96170 
1 1 1   20    9   15 o  173.199   6.9188  205.932   16.093  224.210   22.030  185.017   23.566  181.574   8.9533  164.824   10.551 16.74899 13.83754 
1 1 1   20    9   16 o  123.107   7.5548  100.282   12.415   81.857   16.125  127.102   19.455  109.608   10.856  136.605   10.509 -26.99697 15.10966 
1 1 1   20    9   17 o  282.208   7.1347  540.952   27.218  524.153   36.994  560.776   40.188  277.478   9.8383  286.938   10.335 -9.460297 14.26931 
1 1 1   20    9   18 o  232.752   6.8578  369.732   21.575  389.709   30.044  348.461   31.001  239.308   9.2644  226.196   10.114 13.11194 13.71559 
1 1 1   20    9   19 o  351.432   7.6777  842.457   36.540  860.282   51.112  823.824   52.256  355.284   10.616  347.580   11.094 7.703094 15.35537 
1 1 1   20    9   20 o  185.253   6.7378  234.992   16.818  254.423   23.280  213.780   24.323  193.367   8.8840  177.139   10.132 16.22871 13.47564 
1 1 1   20    9   21 o  359.383   7.7535  881.153   37.729  886.099   52.388  875.824   54.383  360.483   10.724  358.284   11.201 2.199249 15.50697 
1 1 1   20    9   22 o  317.020   7.3780  686.106   31.653  717.932   44.411  653.245   45.127  324.565   10.097  309.476   10.760 15.08896 14.75604 
1 1 1   20    9   23 o  140.653   7.0001  134.398   13.268  130.994   17.749  138.709   19.975  138.678   9.4445  142.629   10.335 -3.951416 14.00019 
1 1 1   20    9   24 o   86.705   8.2477   50.049   9.5619   43.148   12.371   60.292   15.071   79.481   11.485   93.929   11.840 -14.44804 16.49543 
1 1 1   20    9   25 o  160.924   6.7134  175.035   14.552  164.191   19.340  189.186   22.094  155.254   9.1926  166.594   9.7866 -11.34000 13.42689 
1 1 1   20    9   26 o  195.952   6.6464  261.867   17.586  264.174   23.944  259.165   25.914  196.940   8.9719  194.965   9.8083 1.974960 13.29283 
1 1 1   20    9   27 o  143.423   10.548  140.419   20.501   0.0000   0.0000  140.419   20.501  ?   ?   143.423   10.548      ?      ? 
1 1 1   20    9   28 o  342.317   11.019  800.676   51.117   0.0000   0.0000  800.676   51.117  ?   ?   342.317   11.019      ?      ? 
1 1 1   20    9   29 o  173.806   6.8973  208.046   16.085  232.848   22.255  180.916   23.275  184.857   8.8839  162.756   10.553 22.10092 13.79454 
1 1 1   20    9   30 o  227.137   5.8081  345.239   15.697  338.814   18.180  364.060   31.117  223.319   6.0074  230.956   9.9422 -7.636551 11.61617 
1 1 1   20    9   31 o  162.297   5.5693  180.681   9.1403  181.378   10.028  177.259   22.220  163.484   4.5264  161.109   10.177 2.375854 11.13851 
1 1 1   20    9   32 o  180.403   4.1961  221.588   10.235  236.165   14.370  206.580   14.581  186.458   5.6871  174.348   6.1714 12.10918 8.392216 
1 1 1   20    9   33 o   57.517   5.6181   22.408   4.3574   19.490   5.9476   25.790   6.4021   53.487   8.2056   61.548   7.6758 -8.061623 11.23611 
1 1 1   20    9   34 o  136.993   4.2355  127.052   7.8478  118.641   10.721  136.763   11.519  132.127   5.9876  141.859   5.9922 -9.731857 8.470967 
1 1 1   20    9   35 o  204.742   6.1953  284.971   17.189   0.0000   0.0000  284.971   17.189  ?   ?   204.742   6.1953      ?      ? 
1 1 1   20    9   36 o   81.313   6.7545   44.982   7.4428   44.982   7.4428   0.0000   0.0000   81.313   6.7545  ?   ?       ?      ? 
1 1 1   20    9   37 o  250.158   5.3043  425.079   17.151  422.405   21.243  430.084   29.068  249.224   6.2899  251.091   8.5427 -1.866455 10.60853 
1 1 1   20    9   38 o  114.258   4.5210   88.077   6.9687   78.121   9.4080  100.181   10.373  107.157   6.4788  121.360   6.3073 -14.20309 9.041955 
1 1 1   20    9   39 o  308.195   4.9338  646.758   20.582  689.307   29.357  605.630   28.863  318.200   6.8082  298.190   7.1427 20.00940 9.867544 
1 1 1   20    9   40 o  151.369   5.5351  153.918   10.696  163.299   18.806  149.432   13.004  154.569   8.9783  148.170   6.4762 6.399475 11.07027 
1 1 1   20    9   41 o  200.794   5.5172  276.962   14.152  269.457   24.326  280.802   17.399  198.483   9.0441  203.106   6.3215 -4.622574 11.03434 
1 1 1   20    9   42 o  290.513   4.8764  573.151   19.118  651.527   27.885  503.643   26.260  309.244   6.6541  271.783   7.1301 37.46188 9.752720 
1 1 1   20    9   43 o  185.934   4.4041  235.924   11.072  251.669   15.561  219.782   15.756  192.268   5.9726  179.600   6.4739 12.66716 8.808104 
1 1 1   20    9   44 o  168.739   4.3442  193.411   9.9184  183.370   13.582  204.884   14.519  164.066   6.1087  173.413   6.1782 -9.346863 8.688316 
1 1 1   20    9   45 o  149.368   4.4561  152.868   8.9602  171.968   12.622  133.463   12.722  158.883   5.8622  139.853   6.7127 19.03021 8.912165 
1 1 1   20    9   46 f  130.976   4.5020  116.733   7.9788  111.492   10.925  122.724   11.680  127.842   6.3063  134.110   6.4268 -6.268143 9.004048 
1 1 1   20    9   47 o   52.799   7.1088   19.682   4.9617   16.604   7.0031   22.786   7.0307   48.041   10.995   57.557   9.0140 -9.515934 14.21753 
1 1 1   20    9   48 o   70.740   5.7519   34.378   5.5023   37.242   7.8376   31.594   7.7266   73.679   7.8497   67.801   8.4095 5.878151 11.50381 
1 1 1   20    9   49 o  104.878   4.8512   75.590   6.8617   83.369   9.6527   67.642   9.7561  110.417   6.4510   99.340   7.2472 11.07733 9.702443 
1 1 1   20    9   50 o   80.132   6.3454   43.624   6.6818   47.320   11.056   41.498   8.3869   82.600   9.8771   77.665   7.9688 4.935150 12.69090 
1 1 1   20    9   51 o  111.118   7.2787   85.993   10.735   85.941   13.864   86.072   16.966  111.385   9.1849  110.852   11.294 0.5337830 14.55745 
1 1 1   20    9   52 o  134.469   4.5777  123.829   8.3291  120.954   11.418  127.098   12.177  132.836   6.3431  136.103   6.6020 -3.266846 9.155415 
1 1 1   20    9   53 o  105.601   4.8371   76.297   6.8972   67.888   9.4220   86.006   10.124   99.327   6.9999  111.875   6.6778 -12.54831 9.674253 
1 1 1   20    9   54 o  136.691   4.5530  128.305   8.4270  125.663   11.645  131.209   12.210  135.240   6.3542  138.141   6.5225 -2.901169 9.105967 
1 1 1   20    9   55 o   88.414   5.1959   53.975   6.2103   53.009   8.4619   55.102   9.1431   87.610   7.1274   89.217   7.5625 -1.606613 10.39184 
1 1 1   20    9   56 o   74.940   8.4984   41.865   8.1593   31.859   11.889   50.775   11.218   64.967   13.923   84.913   9.7492 -19.94612 16.99683 
1 1 1   20    9   57 o   79.078   6.4941   43.551   6.7442   42.263   8.4958   45.747   11.090   77.847   8.0535   80.309   10.190 -2.462250 12.98811 
1 1 1   20    9   58 o  102.027   7.3599   72.407   10.176   0.0000   0.0000   72.407   10.176  ?   ?   102.027   7.3599      ?      ? 
1 1 1   20    9   59 o   72.486   6.2370   37.526   5.9998   45.830   8.4733   29.176   8.4966   80.967   7.7226   64.005   9.7960 16.96201 12.47394 
1 1 1   20    9   60 f   44.264   8.4581   14.864   5.2444   17.416   7.3945   12.282   7.4391   48.027   11.512   40.501   12.395 7.526466 16.91611 
1 1 1   20    9   61 f   96.090   5.3587   64.801   6.9730   66.608   9.7833   62.935   9.9412   97.527   7.4024   94.652   7.7504 2.874901 10.71749 
1 1 1   20    9   62 o   52.463   8.0885   20.870   5.5858   20.762   7.7709   20.985   8.0348   52.389   11.280   52.537   11.596 -0.1485748 16.17708 
1 1 1   20    9   63 o  108.761   5.1462   82.825   7.5719   79.265   10.347   86.931   11.111  106.300   7.1826  111.221   7.3717 -4.920815 10.29231 
1 1 1   20    9   64 f   85.852   8.7461   61.345   8.3952   69.810   10.122   42.685   15.028   99.511   7.5059   72.193   15.800 27.31799 17.49210 
1 1 1   20    9   65 o  115.512   7.6973   98.441   12.027   98.001   16.520   98.937   17.544  115.523   10.552  115.502   11.209 0.2117920E-01 15.39459 
1 1 1   20    9   66 o   77.277   14.154   47.664   14.276   0.0000   0.0000   47.664   14.276  ?   ?    77.277   14.154      ?      ? 
1 1 1   20    9   67 o  110.207   11.389   91.135   17.009   0.0000   0.0000   91.135   17.009  ?   ?   110.207   11.389      ?      ? 
1 1 1   20    9   68 f   67.912   15.559   38.880   14.012   0.0000   0.0000   38.880   14.012  ?   ?    67.912   15.559      ?      ? 
1 1 1   20    9   69 o   90.123   12.550   63.187   15.327   0.0000   0.0000   63.187   15.327  ?   ?    90.123   12.550      ?      ? 
1 1 1   20    9   70 o   80.721   13.256   52.005   14.500   0.0000   0.0000   52.005   14.500  ?   ?    80.721   13.256      ?      ? 
1 1 1   20   10    0 o  226.956   5.8364  350.475   16.550  348.561   29.848  351.325   19.887  226.391   9.7290  227.522   6.4500 -1.131699 11.67285 
1 1 1   20   10    1 o  391.891   7.0856  1043.76   34.632  1042.22   41.520  1047.30   62.785  391.720   7.8216  392.062   11.817 -0.3428040 14.17126 
1 1 1   20   10    2 o  156.751   7.3977  167.693   15.644  173.040   21.355  161.499   22.984  159.493   9.8802  154.010   11.013 5.483612 14.79536 
1 1 1   20   10    3 o  590.468   7.3166  2372.44   58.541  2408.20   83.302  2337.55   82.287  594.867   10.334  586.070   10.361 8.797241 14.63330 
1 1 1   20   10    4 o  133.839   4.3712  121.304   7.9187  113.962   10.931  129.413   11.487  129.584   6.2247  138.093   6.1385 -8.508240 8.742314 
1 1 1   20   10    5 o  184.471   4.2852  231.056   10.705  235.210   14.960  226.697   15.326  186.177   5.9295  182.765   6.1880 3.412460 8.570364 
1 1 1   20   10    6 o  120.294   6.1930   87.585   8.2325   80.728   9.1189  117.799   19.142  109.063   6.1699  131.525   10.740 -22.46233 12.38599 
1 1 1   20   10    7 o  370.277   7.9567  933.892   39.900  926.037   55.363  942.382   57.555  368.689   11.081  371.866   11.421 -3.177002 15.91335 
1 1 1   20   10    8 o  274.535   7.1844  511.833   26.674  494.869   36.365  531.590   39.245  269.648   9.9518  279.421   10.364 -9.772797 14.36873 
1 1 1   20   10    9 o  181.441   6.9544  223.735   17.060  219.483   23.260  228.686   25.099  179.601   9.5571  183.282   10.105 -3.681168 13.90881 
1 1 1   20   10   10 o  119.498   7.7771   96.276   12.500   89.347   16.498  105.615   19.153  114.526   10.630  124.470   11.355 -9.943466 15.55426 
1 1 1   20   10   11 o  239.996   7.0173  393.307   22.752  420.198   31.776  365.019   32.591  248.494   9.4363  231.498   10.389 16.99538 14.03468 
1 1 1   20   10   12 o  149.399   7.2234  153.238   14.504  166.608   19.898  138.084   21.185  156.467   9.3846  142.330   10.984 14.13676 14.44681 
1 1 1   20   10   13 o   48.086   11.612   14.681   9.0577   16.037   11.874   12.793   14.008   48.973   15.756   47.199   17.061 1.773613 23.22360 
1 1 1   20   10   14 o  268.076   7.1765  489.328   26.037  485.205   35.849  493.930   37.878  266.915   9.9110  269.238   10.382 -2.322449 14.35294 
1 1 1   20   10   15 o   78.870   16.652   44.342   17.239   0.0000   0.0000   44.342   17.239  ?   ?    78.870   16.652      ?      ? 
1 1 1   20   10   16 o  289.796   10.008  572.176   39.302  572.176   39.302   0.0000   0.0000  289.796   10.008  ?   ?       ?      ? 
1 1 1   20   10   17 o  131.396   7.7844  121.395   13.435  144.062   18.178   94.107   19.945  145.463   9.2216  117.329   12.544 28.13395 15.56884 
1 1 1   20   10   18 o  295.637   7.3294  595.397   29.305  588.120   40.081  603.754   42.954  293.749   10.069  297.524   10.654 -3.774200 14.65884 
1 1 1   20   10   19 o  219.778   10.198  329.322   30.372   0.0000   0.0000  329.322   30.372  ?   ?   219.778   10.198      ?      ? 
1 1 1   20   10   20 o   52.618   17.536   18.138   14.650   0.0000   0.0000   18.138   14.650  ?   ?    52.618   17.536      ?      ? 
1 1 1   20   10   21 o  112.050   12.037   85.852   18.277   0.0000   0.0000   85.852   18.277  ?   ?   112.050   12.037      ?      ? 
1 1 1   20   10   22 o  438.947   8.7623  1318.22   52.102  1368.53   74.301  1269.54   73.081  447.232   12.260  430.663   12.522 16.56903 17.52452 
1 1 1   20   10   23 o  333.804   7.6220  761.552   34.431  776.271   47.757  745.619   49.688  337.244   10.450  330.364   11.099 6.879242 15.24397 
1 1 1   20   10   24 o  150.619   7.2022  155.866   14.536  162.956   19.440  146.874   21.892  154.622   9.2777  146.617   11.019 8.005554 14.40431 
1 1 1   20   10   25 o  272.219   7.1309  505.594   26.231  503.957   35.753  507.503   38.603  271.814   9.7064  272.624   10.449 -0.8104858 14.26173 
1 1 1   20   10   26 o  242.343   7.0252  402.473   22.957  422.352   31.454  379.814   33.581  248.876   9.3264  235.809   10.509 13.06647 14.05044 
1 1 1   20   10   27 o  235.400   6.9421  379.360   22.053  393.997   30.219  362.683   32.256  240.363   9.2774  230.436   10.330 9.927078 13.88412 
1 1 1   20   10   28 o  220.892   6.8859  333.623   20.503  339.180   27.744  326.936   30.434  223.011   9.1805  218.772   10.266 4.239349 13.77182 
1 1 1   20   10   29 o   97.628   8.2563   65.459   10.753   66.334   14.078   64.235   16.658   98.509   10.546   96.746   12.706 1.762894 16.51257 
1 1 1   20   10   30 o  172.773   9.3273  203.698   21.838  203.698   21.838   0.0000   0.0000  172.773   9.3273  ?   ?       ?      ? 
1 1 1   20   10   31 o  128.544   5.6210  112.255   9.7915  112.255   9.7915   0.0000   0.0000  128.544   5.6210  ?   ?       ?      ? 
1 1 1   20   10   32 f  226.475   4.8827  348.251   14.985  348.251   14.985   0.0000   0.0000  226.475   4.8827  ?   ?       ?      ? 
1 1 1   20   10   33 o   88.349   6.7950   48.637   5.5357   47.064   5.9061   60.016   15.883   83.240   5.2358   93.458   12.541 -10.21730 13.59008 
1 1 1   20   10   34 o  174.122   5.7926  218.050   10.423  224.838   11.588  189.271   23.860  181.975   4.6989  166.268   10.589 15.70683 11.58510 
1 1 1   20   10   35 o  173.257   5.9163  207.331   12.017  209.960   13.920  199.637   23.809  175.740   5.8450  170.773   10.288 4.967102 11.83257 
1 1 1   20   10   36 o  154.994   4.2402  163.440   8.8987  165.273   12.377  161.479   12.803  155.907   5.8582  154.081   6.1318 1.825638 8.480382 
1 1 1   20   10   37 o  115.354   6.6135   95.944   8.4580  100.039   9.6487   82.357   17.576  121.284   5.8706  109.425   11.853 11.85912 13.22703 
1 1 1   20   10   38 o  130.011   4.3514  115.364   7.6433  122.918   10.665  107.387   10.960  134.426   5.8544  125.595   6.4393 8.830711 8.702829 
1 1 1   20   10   39 o  193.937   4.3651  256.587   11.437  278.612   16.142  234.383   16.208  202.353   5.8867  185.520   6.4469 16.83275 8.730180 
1 1 1   20   10   40 o  117.996   4.4571   94.284   7.0898   81.684   9.6676  108.946   10.429  109.495   6.5154  126.498   6.0837 -17.00316 8.914136 
1 1 1   20   10   41 o  139.234   5.7388  138.195   9.9427  117.509   17.259  148.470   12.164  130.824   9.7351  147.645   6.0797 -16.82117 11.47760 
1 1 1   20   10   42 o  100.206   5.9096   65.443   7.5380   78.441   13.648   59.738   9.0422  106.877   9.4235   93.535   7.1337 13.34184 11.81916 
1 1 1   20   10   43 o  160.055   4.3638  174.397   9.4575  167.665   13.067  181.804   13.706  156.819   6.1489  163.290   6.1938 -6.471146 8.727658 
1 1 1   20   10   44 o  134.580   6.1834  123.555   11.277  123.555   11.277   0.0000   0.0000  134.580   6.1834  ?   ?       ?      ? 
1 1 1   20   10   45 f   98.795   6.0244   70.769   7.5326   54.763   12.243   80.520   9.5554   89.020   10.149  108.570   6.4946 -19.55029 12.04885 
1 1 1   20   10   46 o   30.251   8.4551   3.3747   4.9104   5.5816   8.4179   2.2364   6.0456   33.836   13.022   26.667   10.788 7.169464 16.91024 
1 1 1   20   10   47 o   81.520   7.4929   45.606   8.2775   0.0000   0.0000   45.606   8.2775  ?   ?    81.520   7.4929      ?      ? 
1 1 1   20   10   48 o   90.656   5.0080   56.216   6.1294   49.758   8.4431   63.412   8.9124   85.129   7.3188   96.182   6.8378 -11.05356 10.01603 
1 1 1   20   10   49 o   89.891   4.9774   55.543   6.0568   57.641   8.4938   53.373   8.6393   91.653   6.8387   88.128   7.2340 3.524254 9.954843 
1 1 1   20   10   50 o   60.886   6.5918   26.117   5.2371   20.906   7.2329   31.860   7.5929   53.883   10.281   67.890   8.2532 -14.00673 13.18356 
1 1 1   20   10   51 o   79.509   5.4428   43.693   5.8513   44.283   8.0443   43.031   8.5266   80.134   7.4078   78.884   7.9764 1.250916 10.88566 
1 1 1   20   10   52 o   79.852   7.4863   44.059   8.1010   44.059   8.1010   0.0000   0.0000   79.852   7.4863  ?   ?       ?      ? 
1 1 1   20   10   53 o  111.026   6.6282   84.933   9.9724   84.933   9.9724   0.0000   0.0000  111.026   6.6282  ?   ?       ?      ? 
1 1 1   20   10   54 o   61.475   6.3023   26.423   5.2256   23.140   7.2446   29.984   7.5447   57.408   9.3123   65.541   8.4946 -8.133041 12.60464 
1 1 1   20   10   55 o   74.630   5.7264   38.673   5.7304   31.552   7.8266   46.901   8.4131   67.120   8.6046   82.139   7.5583 -15.01864 11.45285 
1 1 1   20   10   56 o  112.585   4.8032   87.586   7.3175   82.108   10.052   93.762   10.673  108.843   6.8149  116.328   6.7706 -7.484894 9.606425 
1 1 1   20   10   57 o   66.571   7.4766   30.751   6.4851   35.773   11.078   28.132   7.9989   70.164   11.651   62.977   9.3728 7.187870 14.95317 
1 1 1   20   10   58 o   41.284   9.4239   12.906   6.0780   9.3552   9.9129   15.045   7.6940   38.095   14.251   44.473   12.335 -6.377377 18.84780 
1 1 1   20   10   59 o   83.166   5.8028   48.236   6.3982   35.941   8.5987   63.487   9.5770   71.124   8.9215   95.209   7.4228 -24.08578 11.60563 
1 1 1   20   10   60 o   84.026   5.7859   50.464   6.4966   58.150   9.0342   42.233   9.3490   91.076   7.3199   76.976   8.9624 14.10020 11.57176 
1 1 1   20   10   61 o   46.512   10.721   16.855   8.2683   23.728   11.259   8.8089   12.182   54.227   14.874   38.797   15.444 15.43028 21.44220 
1 1 1   20   10   62 o   60.923   16.245   30.940   13.657   0.0000   0.0000   30.940   13.657  ?   ?    60.923   16.245      ?      ? 
1 1 1   20   10   63 o   43.784   15.787   14.722   11.983   0.0000   0.0000   14.722   11.983  ?   ?    43.784   15.787      ?      ? 
1 1 1   20   10   64 o   60.726   16.161   31.145   13.533   0.0000   0.0000   31.145   13.533  ?   ?    60.726   16.161      ?      ? 
1 1 1   20   10   65 o   60.089   16.293   30.866   13.601   0.0000   0.0000   30.866   13.601  ?   ?    60.089   16.293      ?      ? 
1 1 1   20   10   66 o   28.882   13.042  -2.2493   10.858   0.0000   0.0000  -2.2493   10.858  ?   ?    28.882   13.042      ?      ? 
1 1 1   20   10   67 o   40.354   15.637   11.944   12.203   0.0000   0.0000   11.944   12.203  ?   ?    40.354   15.637      ?      ? 
1 1 1   20   11    0 o  289.445   4.8846  568.606   19.145  600.491   27.412  538.244   26.749  297.372   6.8024  281.519   7.0116 15.85364 9.769101 
1 1 1   20   11    1 o  364.833   5.3936  903.556   26.646  953.929   38.271  856.161   37.122  374.705   7.5369  354.961   7.7174 19.74411 10.78718 
1 1 1   20   11    2 o  443.393   7.5243  1350.04   42.493  1307.86   73.400  1371.30   52.114  437.715   12.374  449.071   8.5636 -11.35651 15.04857 
1 1 1   20   11    3 o  120.951   6.5906  105.007   9.3787   88.333   17.809  111.405   11.032  113.805   11.548  128.098   6.3554 -14.29370 13.18111 
1 1 1   20   11    4 o  179.227   4.4102  217.798   10.704  210.389   14.810  225.900   15.488  176.042   6.2082  182.413   6.2656 -6.371033 8.820386 
1 1 1   20   11    5 o  359.069   5.3247  876.152   25.903  900.519   36.733  852.048   36.534  364.047   7.4458  354.091   7.6138 9.955933 10.64944 
1 1 1   20   11    6 o  231.613   6.0235  361.507   16.792  357.638   19.611  372.140   32.512  229.508   6.3054  233.719   10.265 -4.210327 12.04698 
1 1 1   20   11    7 o  108.666   6.7792   84.909   6.6332   86.551   7.1348   74.447   18.008  112.956   4.6611  104.375   12.732 8.581451 13.55837 
1 1 1   20   11    8 o  100.654   6.6140   63.603   6.3577   61.575   6.8285   76.806   17.424   95.258   5.2899  106.050   12.124 -10.79263 13.22800 
1 1 1   20   11    9 o  103.065   7.5236   76.474   8.6716   79.988   9.9319   65.204   17.787  108.516   6.7539   97.615   13.446 10.90064 15.04722 
1 1 1   20   11   10 o   94.098   13.574   60.614   17.309   0.0000   0.0000   60.614   17.309  ?   ?    94.098   13.574      ?      ? 
1 1 1   20   11   11 o  201.613   10.368  277.109   28.326   0.0000   0.0000  277.109   28.326  ?   ?   201.613   10.368      ?      ? 
1 1 1   20   11   12 o  188.653   10.489  242.697   26.815   0.0000   0.0000  242.697   26.815  ?   ?   188.653   10.489      ?      ? 
1 1 1   20   11   13 o  247.794   7.1846  418.187   24.100  409.967   33.205  427.338   35.034  245.249   9.9910  250.340   10.327 -5.091187 14.36911 
1 1 1   20   11   14 o  121.555   7.9419  101.541   12.956  106.517   17.432   95.401   19.366  124.977   10.293  118.132   12.098 6.845398 15.88388 
1 1 1   20   11   15 o  290.267   7.3493  574.435   28.850  570.053   39.499  579.446   42.240  289.138   10.081  291.395   10.697 -2.256714 14.69852 
1 1 1   20   11   16 o  164.304   7.2044  185.341   15.907  195.856   21.551  172.755   23.576  169.540   9.3801  159.068   10.937 10.47195 14.40875 
1 1 1   20   11   17 f  290.207   7.3544  575.454   28.866  589.083   39.894  560.476   41.820  293.893   10.017  286.522   10.771 7.370880 14.70873 
1 1 1   20   11   18 o  291.282   7.3771  576.082   29.016  545.272   39.082  613.925   43.314  282.695   10.202  299.869   10.659 -17.17371 14.75420 
1 1 1   20   11   19 o  103.572   12.996   73.527   18.241   0.0000   0.0000   73.527   18.241  ?   ?   103.572   12.996      ?      ? 
1 1 1   20   11   20 o  103.520   11.259   73.259   15.795   73.259   15.795   0.0000   0.0000  103.520   11.259  ?   ?       ?      ? 
1 1 1   20   11   21 o  160.517   7.2461  177.496   15.541  187.095   20.681  165.044   23.555  165.663   9.2121  155.370   11.187 10.29321 14.49211 
1 1 1   20   11   22 o  144.268   7.2486  141.954   14.078  140.675   18.823  143.579   21.209  143.592   9.6732  144.945   10.798 -1.352081 14.49721 
1 1 1   20   11   23 o  132.733   7.9428  122.901   13.849  131.934   17.944  109.590   21.781  139.063   9.5217  126.403   12.716 12.66015 15.88567 
1 1 1   20   11   24 o  210.330   9.4260  301.820   26.867  301.820   26.867   0.0000   0.0000  210.330   9.4260  ?   ?       ?      ? 
1 1 1   20   11   25 o  205.298   9.6280  287.691   26.786  287.691   26.786   0.0000   0.0000  205.298   9.6280  ?   ?       ?      ? 
1 1 1   20   11   26 o  188.475   7.5140  245.974   18.766  259.620   24.534  226.732   29.133  195.059   9.2816  181.891   11.819 13.16866 15.02799 
1 1 1   20   11   27 o  226.195   7.0052  347.689   21.342  333.866   28.420  365.565   32.318  221.144   9.4834  231.246   10.313 -10.10191 14.01049 
1 1 1   20   11   28 o  142.469   7.2606  138.543   13.866  137.200   18.272  140.367   21.290  141.747   9.5125  143.191   10.972 -1.443954 14.52124 
1 1 1   20   11   29 f  107.311   8.0846   76.597   11.496   68.547   14.531   90.066   18.797  100.072   10.715  114.549   12.109 -14.47704 16.16929 
1 1 1   20   11   30 f   87.404   9.5212   55.456   10.470   62.563   13.557   44.950   16.482   95.612   10.464   79.197   15.910 16.41438 19.04239 
1 1 1   20   11   31 o  213.765   5.9421  309.852   14.980  307.953   17.320  315.487   29.838  212.824   6.0055  214.707   10.255 -1.883560 11.88429 
1 1 1   20   11   32 o  111.256   6.7390   80.723   7.9246   78.505   8.7370   91.010   18.819  107.448   6.0004  115.065   12.069 -7.617859 13.47810 
1 1 1   20   11   33 o   72.345   7.3208   26.736   4.5913   24.508   4.8111   49.468   15.366   60.033   5.9138   84.657   13.394 -24.62416 14.64166 
1 1 1   20   11   34 f  199.127   5.6145  264.607   11.602  261.392   12.767  279.845   27.797  196.165   4.8028  202.089   10.150 -5.924164 11.22907 
1 1 1   20   11   35 o   59.461   9.1319   33.101   5.0086   35.862   5.3176   11.397   14.910   72.628   5.4029   46.294   17.446 26.33420 18.26375 
1 1 1   20   11   36 o   75.242   7.4380   31.777   5.2110   29.504   5.5325   49.650   15.512   65.832   6.2016   84.653   13.522 -18.82186 14.87593 
1 1 1   20   11   37 o   88.046   7.4276   49.262   7.0201   46.898   7.7456   60.139   16.613   82.936   6.8917   93.155   13.160 -10.21826 14.85530 
1 1 1   20   11   38 o  131.771   5.9882  106.257   9.1484   96.039   10.307  144.184   19.859  118.711   6.4072  144.831   10.118 -26.11981 11.97645 
1 1 1   20   11   39 o  217.959   5.7321  326.826   13.461  327.973   15.041  322.210   30.165  219.584   5.0547  216.334   10.290 3.250168 11.46410 
1 1 1   20   11   40 o  180.370   4.4330  222.013   10.824  233.956   15.307  210.071   15.307  185.256   6.0973  175.484   6.4366 9.771942 8.866068 
1 1 1   20   11   41 f   60.394   7.7158   29.787   5.7175   13.131   9.0520   40.844   7.3749   43.486   13.732   77.302   7.0401 -33.81667 15.43160 
1 1 1   20   11   42 o   96.533   6.9177   63.717   9.0495   0.0000   0.0000   63.717   9.0495  ?   ?    96.533   6.9177      ?      ? 
1 1 1   20   11   43 o  188.310   5.4738  234.577   13.103  268.244   23.587  219.549   15.758  197.391   8.8179  179.229   6.4881 18.16141 10.94760 
1 1 1   20   11   44 o  136.971   4.4962  127.819   8.3207  114.725   11.433  142.564   12.132  129.509   6.5146  144.434   6.1987 -14.92487 8.992408 
1 1 1   20   11   45 o  116.893   4.6058   93.685   7.2835   97.251   10.146   89.893   10.462  119.234   6.2792  114.552   6.7398 4.682213 9.211565 
1 1 1   20   11   46 o   65.616   6.3256   30.605   5.2943   21.706   7.4018   39.927   7.5758   55.007   10.309   76.226   7.3341 -21.21890 12.65129 
1 1 1   20   11   47 o   62.115   6.3935   27.410   5.1342   21.128   7.2364   33.778   7.2856   54.214   10.225   70.016   7.6786 -15.80232 12.78691 
1 1 1   20   11   48 o   93.400   5.5298   60.998   6.8136   64.003   8.8249   56.562   10.722   96.508   6.7478   90.291   8.7625 6.216553 11.05958 
1 1 1   20   11   49 o   67.798   6.3132   30.785   5.6881   24.649   7.2996   40.271   9.0759   59.494   9.0542   76.102   8.8006 -16.60870 12.62647 
1 1 1   20   11   50 o   44.428   7.8220   14.481   4.6854   14.117   6.4370   14.891   6.8330   43.864   10.882   44.993   11.240 -1.128750 15.64401 
1 1 1   20   11   51 f   77.719   5.4108   41.690   5.6575   35.204   7.7416   49.125   8.2882   71.171   8.0268   84.267   7.2581 -13.09589 10.82169 
1 1 1   20   11   52 o   68.355   5.8162   32.663   5.3627   33.526   7.3061   31.654   7.8962   69.443   7.7639   67.267   8.6623 2.175423 11.63240 
1 1 1   20   11   53 o   50.660   7.9799   24.711   6.2315   34.189   7.1953  -3.7272   12.464   70.098   7.5746   31.223   14.048 38.87469 15.95976 
1 1 1   20   11   54 o   32.244   9.1591   4.7895   5.3540   5.0974   6.0510   3.6788   11.491   29.724   11.131   34.764   14.548 -5.040112 18.31814 
1 1 1   20   11   55 o   47.298   7.8889   16.585   5.0019   13.215   6.7979   20.563   7.3861   41.953   11.578   52.643   10.718 -10.68993 15.77772 
1 1 1   20   11   56 o   69.542   6.0180   34.171   5.6610   34.505   7.8021   33.799   8.2265   69.994   8.2257   69.090   8.7866 0.9039230 12.03604 
1 1 1   20   11   57 o  121.938   7.5126  107.934   12.246  108.806   16.128  106.746   18.819  123.212   9.6590  120.664   11.509 2.547249 15.02511 
1 1 1   20   11   58 o  124.092   7.4988  113.127   12.428  121.510   16.706  102.737   18.599  130.153   9.4717  118.031   11.628 12.12189 14.99760 
1 1 1   20   11   59 o   54.631   16.427   24.747   13.148   0.0000   0.0000   24.747   13.148  ?   ?    54.631   16.427      ?      ? 
1 1 1   20   11   60 o   58.730   15.979   28.647   13.056   0.0000   0.0000   28.647   13.056  ?   ?    58.730   15.979      ?      ? 
1 1 1   20   11   61 o   38.554   15.331   9.0596   11.992   0.0000   0.0000   9.0596   11.992  ?   ?    38.554   15.331      ?      ? 
1 1 1   20   11   62 o   28.667   12.981  -2.9400   10.842   0.0000   0.0000  -2.9400   10.842  ?   ?    28.667   12.981      ?      ? 
1 1 1   20   11   63 o   50.768   16.053   21.796   12.367   0.0000   0.0000   21.796   12.367  ?   ?    50.768   16.053      ?      ? 
1 1 1   20   11   64 o   66.676   15.216   37.137   13.445   0.0000   0.0000   37.137   13.445  ?   ?    66.676   15.216      ?      ? 
1 1 1   20   12    0 o  119.740   7.2968  105.481   9.8408  112.882   11.386   83.632   19.564  128.917   6.5175  110.563   13.057 18.35364 14.59360 
1 1 1   20   12    1 o  166.701   4.5366  188.875   10.240  195.683   14.403  181.915   14.563  169.750   6.2611  163.651   6.5667 6.099030 9.073149 
1 1 1   20   12    2 o  277.278   4.8341  522.401   18.150  549.123   25.808  496.247   25.531  284.310   6.6984  270.246   6.9716 14.06403 9.668113 
1 1 1   20   12    3 o  131.643   4.6540  117.378   8.2904  110.659   11.371  125.003   12.113  127.633   6.5744  135.653   6.5892 -8.019661 9.308068 
1 1 1   20   12    4 o  310.482   5.0223  655.384   21.121  675.865   29.808  634.731   29.933  315.372   6.9747  305.592   7.2281 9.780487 10.04451 
1 1 1   20   12    5 o  134.218   6.0336  119.252   10.094  131.112   18.713  114.384   11.988  138.690   9.9565  129.747   6.8180 8.943130 12.06715 
1 1 1   20   12    6 o  136.737   6.0375  123.804   10.202  135.654   19.185  119.132   12.047  141.058   10.037  132.415   6.7136 8.642990 12.07500 
1 1 1   20   12    7 o  251.256   6.2918  443.261   19.136  461.267   22.734  399.486   35.447  260.578   6.4380  241.933   10.812 18.64568 12.58365 
1 1 1   20   12    8 o  236.456   5.7261  361.170   14.202  350.682   15.613  411.431   34.179  227.314   5.0686  245.597   10.270 -18.28310 11.45229 
1 1 1   20   12    9 o  228.045   5.7224  339.363   13.628  331.508   14.983  376.987   32.791  221.014   5.0025  235.076   10.294 -14.06123 11.44482 
1 1 1   20   12   10 o  265.832   5.8836  472.328   16.709  467.018   18.547  495.204   38.499  262.303   5.2179  269.362   10.547 -7.058899 11.76715 
1 1 1   20   12   11 o  262.245   5.8478  459.135   16.366  453.667   18.158  482.820   37.788  258.525   5.1829  265.966   10.484 -7.440918 11.69554 
1 1 1   20   12   12 f  218.766   5.8746  335.848   13.361  341.765   14.820  310.164   30.877  224.407   4.8733  213.126   10.691 11.28139 11.74918 
1 1 1   20   12   13 o  277.046   6.2783  524.404   21.085  526.282   24.820  519.537   39.968  278.279   6.5818  275.813   10.693 2.465973 12.55657 
1 1 1   20   12   14 o  155.119   6.3786  164.881   10.966  165.562   12.373  162.385   23.678  156.128   5.8481  154.110   11.338 2.017639 12.75715 
1 1 1   20   12   15 o  109.828   10.853   82.424   16.152   82.424   16.152   0.0000   0.0000  109.828   10.853  ?   ?       ?      ? 
1 1 1   20   12   16 o  136.171   10.029  126.570   18.507  126.570   18.507   0.0000   0.0000  136.171   10.029  ?   ?       ?      ? 
1 1 1   20   12   17 o   97.959   11.633   65.681   15.443   65.681   15.443   0.0000   0.0000   97.959   11.633  ?   ?       ?      ? 
1 1 1   20   12   18 o  288.173   7.6052  566.872   29.461  561.441   39.172  573.945   44.700  286.740   10.081  289.606   11.390 -2.865540 15.21048 
1 1 1   20   12   19 o   90.130   10.146   59.026   11.601   70.458   15.524   44.568   17.458  101.468   11.290   78.793   16.860 22.67519 20.29118 
1 1 1   20   12   20 o  165.466   7.3501  186.179   16.377  179.272   21.796  195.133   24.817  162.022   9.9270  168.910   10.842 -6.887680 14.70021 
1 1 1   20   12   21 f  160.230   7.4457  176.786   16.046  190.914   22.018  160.781   23.434  167.214   9.7166  153.246   11.285 13.96748 14.89137 
1 1 1   20   12   22 o  126.756   8.0554  110.329   13.726  112.430   18.394  107.688   20.620  128.214   10.587  125.298   12.144 2.916183 16.11083 
1 1 1   20   12   23 o  270.073   10.795  499.143   39.509   0.0000   0.0000  499.143   39.509  ?   ?   270.073   10.795      ?      ? 
1 1 1   20   12   25 o  266.152   7.4655  483.223   26.677  473.560   35.250  496.176   40.814  263.212   9.8825  269.092   11.192 -5.879700 14.93098 
1 1 1   20   12   26 o  268.390   7.2975  491.947   26.386  484.247   35.329  501.660   39.680  266.150   9.7955  270.629   10.820 -4.479706 14.59500 
1 1 1   20   12   27 o  243.239   7.2092  406.739   23.612  424.702   32.097  385.551   34.859  249.278   9.5017  237.201   10.845 12.07719 14.41846 
1 1 1   20   12   28 o  154.131   7.6459  166.671   15.552  186.063   20.626  141.118   23.677  165.010   9.2240  143.252   12.197 21.75801 15.29184 
1 1 1   20   12   29 o  329.624   7.7003  741.979   34.269  708.857   46.142  782.719   51.174  321.567   10.589  337.680   11.183 -16.11255 15.40068 
1 1 1   20   12   30 o  172.546   6.1686  208.236   12.097  212.511   13.847  194.454   24.860  176.775   5.7801  168.316   10.899 8.459213 12.33711 
1 1 1   20   12   31 o  255.074   6.1162  438.964   18.721  432.534   21.811  456.960   36.490  252.067   6.3852  258.081   10.434 -6.014053 12.23233 
1 1 1   20   12   32 o  114.890   6.2203   80.398   6.6242   77.091   7.0622  104.598   19.107  106.511   4.8929  123.269   11.438 -16.75797 12.44063 
1 1 1   20   12   33 o  111.320   6.4407   82.205   6.6662   81.232   7.1558   88.599   18.337  109.328   4.8299  113.312   11.942 -3.983063 12.88140 
1 1 1   20   12   34 o   69.086   8.4608   28.184   4.9295   26.730   5.1948   41.345   15.626   62.648   6.1190   75.525   15.777 -12.87716 16.92167 
1 1 1   20   12   35 o  119.316   6.7483  100.172   8.2273  101.507   9.0776   94.029   19.469  122.127   5.4850  116.504   12.332 5.622704 13.49668 
1 1 1   20   12   36 o  105.814   6.7199   71.242   7.5042   68.111   8.2432   86.391   18.132   99.970   6.0848  111.659   11.983 -11.68890 13.43970 
1 1 1   20   12   37 o   55.170   9.7574   16.626   5.7864   13.627   6.3016   32.749   14.612   43.575   10.740   66.766   16.293 -23.19083 19.51490 
1 1 1   20   12   38 o   39.552   8.9636   11.824   5.3416   14.597   5.7960  -3.8111   13.763   45.186   9.7514   33.918   15.043 11.26831 17.92724 
1 1 1   20   12   39 o   89.783   7.3858   53.150   6.2832   52.132   6.7613   59.596   17.010   87.437   5.7063   92.129   13.625 -4.691284 14.77169 
1 1 1   20   12   40 o   58.272   9.5145   26.615   5.3630   27.641   5.7350   19.469   15.138   63.575   6.6568   52.969   17.827 10.60552 19.02895 
1 1 1   20   12   41 o   38.240   9.1790   9.8066   4.6740   10.638   5.0125   4.2694   12.939   38.479   9.6345   38.001   15.627 0.4779968 18.35802 
1 1 1   20   12   42 o   45.424   9.0518   16.576   5.0651   18.382   5.4020   3.4445   14.570   51.710   7.7090   39.138   16.380 12.57234 18.10366 
1 1 1   20   12   43 o   81.619   7.8058   45.866   8.6336   45.866   8.6336   0.0000   0.0000   81.619   7.8058  ?   ?       ?      ? 
1 1 1   20   12   44 o   30.772   11.016   5.7600   5.8247   5.7600   5.8247   0.0000   0.0000   30.772   11.016  ?   ?       ?      ? 
1 1 1   20   12   45 o   89.465   4.9753   55.011   5.9963   47.327   8.3055   63.377   8.6661   82.874   7.3954   96.055   6.6576 -13.18080 9.950692 
1 1 1   20   12   46 o   59.508   6.0870   24.544   4.8991   26.767   7.0832   22.505   6.7834   62.118   8.4144   56.897   8.7978 5.221222 12.17393 
1 1 1   20   12   47 f   49.310   7.2224   17.488   4.7710   23.956   6.9194   11.626   6.5874   58.658   8.7048   39.962   11.527 18.69656 14.44483 
1 1 1   20   12   48 o   46.473   7.5305   15.835   4.6507   17.802   6.6539   13.957   6.5027   49.407   10.273   43.539   11.013 5.868679 15.06099 
1 1 1   20   12   49 o   34.007   7.7169   7.3593   4.3649   12.614   6.2982   2.5033   6.0546   41.358   11.034   26.656   10.792 14.70264 15.43376 
1 1 1   20   12   50 o   48.330   7.3605   17.299   4.8721   9.6852   6.8703   25.001   6.9101   36.906   11.995   59.755   8.5336 -22.84909 14.72101 
1 1 1   20   12   51 o   86.754   5.3086   52.305   6.2087   45.423   8.5750   59.888   9.0015   80.660   7.8450   92.848   7.1542 -12.18772 10.61724 
1 1 1   20   12   52 o  103.674   4.9958   75.203   6.9737   81.339   9.6289   68.434   10.114  108.334   6.5589   99.015   7.5374 9.318825 9.991624 
1 1 1   20   12   53 o  112.307   7.8152   89.318   11.662   81.411   14.852  102.030   18.831  106.456   10.295  118.158   11.761 -11.70181 15.63037 
1 1 1   20   12   54 o   59.222   17.385   29.056   14.866   0.0000   0.0000   29.056   14.866  ?   ?    59.222   17.385      ?      ? 
1 1 1   20   12   55 o   45.350   16.411   15.389   12.966   0.0000   0.0000   15.389   12.966  ?   ?    45.350   16.411      ?      ? 
1 1 1   20   12   56 o   31.165   13.831  -1.0202   11.654   0.0000   0.0000  -1.0202   11.654  ?   ?    31.165   13.831      ?      ? 
1 1 1   20   12   57 o   32.996   14.111   2.6351   11.210   0.0000   0.0000   2.6351   11.210  ?   ?    32.996   14.111      ?      ? 
1 1 1   20   12   58 o   71.969   14.983   41.813   14.138   0.0000   0.0000   41.813   14.138  ?   ?    71.969   14.983      ?      ? 
1 1 1   20   12   59 o   41.279   15.491   12.321   11.730   0.0000   0.0000   12.321   11.730  ?   ?    41.279   15.491      ?      ? 
1 1 1   20   12   60 o   25.080   11.851  -9.1505   10.595   0.0000   0.0000  -9.1505   10.595  ?   ?    25.080   11.851      ?      ? 
1 1 1   20   13    0 o  250.657   5.6194  431.870   18.341  443.989   23.132  411.349   30.100  255.598   6.6783  245.717   9.0395 9.881042 11.23885 
1 1 1   20   13    1 o  136.596   5.6098  131.830   9.9415  149.464   12.924  106.272   15.559  148.314   6.4302  124.879   9.1942 23.43511 11.21966 
1 1 1   20   13    2 o  275.341   6.8153  515.321   25.430  515.321   25.430   0.0000   0.0000  275.341   6.8153  ?   ?       ?      ? 
1 1 1   20   13    3 o  171.237   6.3621  199.237   14.763  199.237   14.763   0.0000   0.0000  171.237   6.3621  ?   ?       ?      ? 
1 1 1   20   13    4 o  156.540   5.2684  165.121   10.807  160.743   13.562  172.736   17.888  153.796   6.5074  159.283   8.2871 -5.487000 10.53674 
1 1 1   20   13    5 o   60.775   7.4336   25.399   5.8861   24.410   7.6081   26.875   9.2901   59.834   9.3831   61.715   11.532 -1.881317 14.86723 
1 1 1   20   13    6 o  132.976   5.4151  122.906   9.3802  130.928   11.970  110.141   15.099  138.806   6.3638  127.145   8.7632 11.66041 10.83017 
1 1 1   20   13    7 o  174.701   6.0913  203.282   10.543  201.169   11.470  214.796   26.773  172.156   4.9167  177.245   11.146 -5.089981 12.18262 
1 1 1   20   13    8 o  222.460   5.8388  323.688   13.525  316.529   14.862  358.191   32.630  215.932   5.0791  228.988   10.515 -13.05586 11.67763 
1 1 1   20   13    9 o   54.443   10.334   19.566   6.0262   19.222   6.5005   21.668   16.072   52.287   9.5252   56.600   18.343 -4.312798 20.66863 
1 1 1   20   13   10 o  134.633   7.0335  131.013   10.318  136.581   11.696  111.476   21.909  141.777   6.0878  127.489   12.681 14.28874 14.06692 
1 1 1   20   13   11 o   55.576   9.9180   21.789   4.9711   22.092   5.2105   18.724   16.588   57.000   6.7457   54.152   18.654 2.847702 19.83591 
1 1 1   20   13   12 o  335.946   6.3719  767.025   23.521  765.217   26.414  773.950   51.692  335.615   5.8078  336.276   11.343 -0.6612854 12.74385 
1 1 1   20   13   13 o   81.053   9.8717   56.690   6.1559   59.629   6.5356   33.585   18.326   93.711   5.1465   68.395   19.061 25.31634 19.74347 
1 1 1   20   13   14 o  239.271   5.9437  392.569   14.962  394.022   16.593  386.247   34.606  240.896   5.0830  237.646   10.746 3.250000 11.88749 
1 1 1   20   13   15 f   95.720   10.060   87.067   8.6855  101.604   9.8114   34.408   18.674  122.279   5.9211   69.163   19.229 53.11592 20.11956 
1 1 1   20   13   16 o  152.125   6.4080  170.534   9.3238  176.391   10.187  140.313   23.141  161.200   4.6635  143.049   11.937 18.15089 12.81603 
1 1 1   20   13   17 o  106.406   6.7809   70.056   6.4628   67.840   6.8615   87.474   19.240   99.952   5.0658  112.860   12.580 -12.90821 13.56187 
1 1 1   20   13   18 o  154.221   6.4576  162.103   11.059  161.935   12.472  162.719   23.922  154.355   5.9626  154.087   11.457 0.2681427 12.91529 
1 1 1   20   13   19 o   92.268   8.4326   67.637   5.9345   69.986   6.3035   49.323   17.602  101.536   4.5812   82.998   16.231 18.53805 16.86510 
1 1 1   20   13   20 o  263.066   6.2174  464.562   19.545  456.194   22.695  488.582   38.450  258.981   6.4668  267.151   10.621 -8.170929 12.43473 
1 1 1   20   13   21 o  159.042   6.2418  165.387   11.063  160.182   12.405  185.626   24.461  153.498   5.9635  164.586   10.967 -11.08798 12.48367 
1 1 1   20   13   22 o  165.435   6.2803  187.866   11.661  188.669   13.223  185.056   24.736  166.590   5.8573  164.279   11.111 2.311020 12.56066 
1 1 1   20   13   23 o  117.234   6.7957   90.012   8.4366   87.724   9.3112  100.503   19.939  113.576   6.0497  120.893   12.171 -7.317368 13.59148 
1 1 1   20   13   24 o  107.804   7.0496   73.238   7.9480   69.921   8.7039   89.887   19.498  101.372   6.3360  114.236   12.595 -12.86433 14.09921 
1 1 1   20   13   25 o  159.126   6.3890  180.790   11.389  187.388   13.019  159.283   23.505  165.999   5.7874  152.253   11.392 13.74614 12.77807 
1 1 1   20   13   26 o  178.974   6.1955  220.888   12.730  222.669   14.587  215.197   26.075  180.918   5.9498  177.030   10.869 3.887985 12.39091 
1 1 1   20   13   27 f  306.941   8.1034  509.242   29.792  313.962   34.351  1102.05   59.850  213.475   11.874  400.406   11.030 -186.9310 16.20675 
1 1 1   20   13   28 o  101.449   5.1616   69.967   7.0960   69.967   7.0960   0.0000   0.0000  101.449   5.1616  ?   ?       ?      ? 
1 1 1   20   13   29 o   81.616   5.3708   45.306   5.9402   45.306   5.9402   0.0000   0.0000   81.616   5.3708  ?   ?       ?      ? 
1 1 1   20   13   30 o  168.672   6.0607  192.736   10.946  191.464   12.176  198.093   24.989  167.762   5.3558  169.582   10.874 -1.819748 12.12138 
1 1 1   20   13   31 o  100.677   6.9949   65.704   6.1549   64.528   6.5296   75.078   18.433   97.410   4.9465  103.943   13.086 -6.532928 13.98986 
1 1 1   20   13   32 f  157.341   6.0104  165.657   9.1756  163.949   9.9386  175.514   23.878  155.278   4.7232  159.404   11.054 -4.126801 12.02079 
1 1 1   20   13   33 o  156.592   6.2986  167.644   11.088  167.062   12.561  169.699   23.601  156.559   5.9204  156.625   11.119 -0.6613159E-01 12.59729 
1 1 1   20   13   34 o  174.395   5.9533  210.939   10.402  212.057   11.396  205.350   25.471  176.547   4.7632  172.243   10.912 4.304047 11.90656 
1 1 1   20   13   35 o   39.295   7.8108   13.451   4.3441   16.190   4.5640 -12.9329   14.165   48.657   6.9217   29.933   14.004 18.72438 15.62165 
1 1 1   20   13   36 f   69.803   9.7314   43.694   6.8987   48.853   7.6542   21.364   15.924   84.522   6.6827   55.085   18.279 29.43680 19.46273 
1 1 1   20   13   37 o  158.148   6.2050  158.761   11.200  148.232   12.597  198.511   24.475  147.259   6.3124  169.036   10.685 -21.77748 12.41000 
1 1 1   20   13   38 o   64.295   8.1776   28.456   7.1250   28.456   7.1250   0.0000   0.0000   64.295   8.1776  ?   ?       ?      ? 
1 1 1   20   13   39 o   45.913   8.8580   15.038   5.3116   15.038   5.3116   0.0000   0.0000   45.913   8.8580  ?   ?       ?      ? 
1 1 1   20   13   40 o  134.711   6.4711  129.906   8.5684  131.925   9.3758  119.677   21.106  139.062   4.9752  130.360   11.948 8.701920 12.94228 
1 1 1   20   13   41 o  134.134   6.2304  122.526   8.4564  121.425   9.2588  128.065   20.767  133.349   5.1237  134.919   11.359 -1.569199 12.46079 
1 1 1   20   13   42 o   53.839   9.4261   21.500   5.2584   21.897   5.6533   18.953   14.320   56.356   7.4025   51.322   17.338 5.033432 18.85214 
1 1 1   20   13   43 o  100.312   7.5073   72.278   8.5282   73.606   9.7615   67.996   17.528  103.366   6.9688   97.257   13.299 6.109222 15.01458 
1 1 1   20   13   44 o  156.937   6.3496  174.566   11.818  177.700   13.813  166.002   22.831  160.751   6.3409  153.124   11.003 7.626984 12.69922 
1 1 1   20   13   45 o   85.440   7.2980   49.402   6.2739   48.350   6.8461   54.918   15.677   83.869   6.0237   87.012   13.295 -3.142746 14.59601 
1 1 1   20   13   46 o   39.531   8.6227   12.765   4.9898   15.267   5.3821  -2.5472   13.314   45.960   8.9635   33.103   14.733 12.85656 17.24541 
1 1 1   20   13   47 o   48.404   9.5132   16.127   5.2529   15.406   5.7473   19.785   12.946   45.954   9.5412   50.855   16.461 -4.900639 19.02648 
1 1 1   20   13   48 o   81.715   7.4243   39.851   6.3089   35.999   6.8489   61.428   16.210   72.017   7.0179   91.414   13.085 -19.39714 14.84862 
1 1 1   20   13   49 o   80.479   9.3822   46.175   9.7862   38.299   12.280   59.882   16.200   71.078   13.236   89.880   13.301 -18.80153 18.76441 
1 1 1   20   13   50 o   49.224   16.867   18.777   13.555   0.0000   0.0000   18.777   13.555  ?   ?    49.224   16.867      ?      ? 
1 1 1   20   13   51 o   49.793   17.186   19.513   14.084   0.0000   0.0000   19.513   14.084  ?   ?    49.793   17.186      ?      ? 
1 1 1   20   13   52 o   59.710   16.581   29.365   13.894   0.0000   0.0000   29.365   13.894  ?   ?    59.710   16.581      ?      ? 
1 1 1   20   13   53 o   52.628   17.047   22.843   13.882   0.0000   0.0000   22.843   13.882  ?   ?    52.628   17.047      ?      ? 
1 1 1   20   13   54 o   35.132   14.959   3.7358   12.499   0.0000   0.0000   3.7358   12.499  ?   ?    35.132   14.959      ?      ? 
1 1 1   20   13   55 o   53.941   16.550   24.378   13.253   0.0000   0.0000   24.378   13.253  ?   ?    53.941   16.550      ?      ? 
1 1 1   20   13   56 o   24.664   11.671  -9.4304   10.345   0.0000   0.0000  -9.4304   10.345  ?   ?    24.664   11.671      ?      ? 
1 1 1   20   14    0 o  226.468   4.8310  348.940   14.799  376.645   21.075  321.993   20.785  235.366   6.6076  217.570   7.0495 17.79646 9.662085 
1 1 1   20   14    1 o  275.177   4.9901  515.083   18.584  550.654   26.512  480.723   26.057  284.544   6.8757  265.810   7.2338 18.73422 9.980174 
1 1 1   20   14    2 o  243.548   4.8538  403.339   16.006  401.514   22.162  405.329   23.141  242.990   6.7305  244.106   6.9956 -1.116241 9.707605 
1 1 1   20   14    3 o   92.694   5.9342   58.842   7.4029   66.462   10.439   51.133   10.500   98.798   7.7968   86.591   8.9482 12.20622 11.86845 
1 1 1   20   14    4 o  244.010   4.8457  404.140   16.002  389.324   21.955  420.931   23.373  239.260   6.7713  248.760   6.9335 -9.499954 9.691436 
1 1 1   20   14    5 o  259.468   4.9115  458.011   17.257  458.888   23.962  457.067   24.873  259.746   6.8076  259.190   7.0815 0.5561218 9.822996 
1 1 1   20   14    6 o   96.339   8.6884   64.553   9.2259   65.210   10.409   62.145   19.921   97.852   7.8501   94.825   15.503 3.027290 17.37682 
1 1 1   20   14    7 o  133.122   6.7925  107.009   10.499   95.668   11.820  149.414   22.857  118.555   7.3573  147.689   11.420 -29.13367 13.58508 
1 1 1   20   14    8 o  132.061   6.9810  117.448   10.554  115.993   12.016  122.358   22.076  130.583   6.7904  133.538   12.199 -2.954391 13.96193 
1 1 1   20   14    9 o   97.049   9.1076   77.305   7.1667   81.405   7.7151   51.508   19.353  109.482   5.2002   84.617   17.457 24.86513 18.21522 
1 1 1   20   14   10 o  195.463   6.0763  262.935   12.125  264.207   13.339  256.891   29.082  197.252   4.9903  193.674   11.081 3.577728 12.15269 
1 1 1   20   14   11 o  145.665   6.4190  147.353   9.0701  148.483   9.8662  141.189   23.049  147.874   4.9235  143.456   11.856 4.417892 12.83801 
1 1 1   20   14   12 o   62.359   9.6302   35.323   5.5567   38.111   5.9093   14.035   16.330   74.883   5.8233   49.835   18.359 25.04768 19.26032 
1 1 1   20   14   13 o   78.855   9.8844   57.592   6.1402   61.736   6.5481   27.404   17.674   95.340   5.0682   62.369   19.108 32.97135 19.76890 
1 1 1   20   14   14 o  108.350   7.3279   80.408   8.6367   80.447   9.6742   80.255   19.170  108.741   6.5651  107.959   13.103 0.7819214 14.65586 
1 1 1   20   14   15 o   52.987   10.662   18.746   6.4613   18.556   7.0286   19.780   16.416   51.147   10.493   54.828   18.563 -3.680813 21.32340 
1 1 1   20   14   16 o   62.845   10.174   27.119   6.7328   26.890   7.3566   28.298   16.707   62.764   8.6494   62.925   18.417 -0.1613884 20.34737 
1 1 1   20   14   17 o   49.242   9.6437   16.610   4.4998   16.904   4.6967   13.318   15.704   49.825   6.9560   48.660   17.989 1.165646 19.28733 
1 1 1   20   14   18 o   77.690   8.5928   38.508   5.3994   37.551   5.6866   47.273   17.208   74.319   5.6464   81.061   16.232 -6.741096 17.18559 
1 1 1   20   14   19 o  132.775   6.6108  124.362   8.1421  125.841   8.7883  115.405   21.633  136.112   4.7646  129.437   12.333 6.674805 13.22165 
1 1 1   20   14   20 o   73.139   9.3194   42.012   5.3900   43.193   5.7044   32.172   16.464   79.716   5.2806   66.562   17.875 13.15430 18.63872 
1 1 1   20   14   21 o   91.702   8.2913   62.466   6.6529   63.940   7.1819   53.548   17.662   96.972   5.4652   86.432   15.656 10.54017 16.58264 
1 1 1   20   14   22 o   61.376   9.7114   25.450   5.0894   25.230   5.3527   27.521   16.429   60.864   6.4898   61.889   18.306 -1.024471 19.42273 
1 1 1   20   14   23 o   99.299   7.3766   67.826   6.8358   67.859   7.3664   67.622   18.344   99.885   5.4422   98.714   13.713 1.171173 14.75315 
1 1 1   20   14   24 o  116.943   7.0352  103.493   7.2616  107.021   7.8224   81.501   19.531  125.498   4.5996  108.387   13.297 17.11092 14.07049 
1 1 1   20   14   25 o  103.330   7.1249   75.462   6.4246   76.135   6.8591   70.654   18.341  105.830   4.7828  100.830   13.423 4.999474 14.24985 
1 1 1   20   14   26 f   61.500   9.1988   26.678   4.6220   26.701   4.8540   26.453   15.131   62.622   5.7199   60.378   17.486 2.243397 18.39765 
1 1 1   20   14   27 o   64.184   9.1278   25.278   4.6749   24.410   4.8886   34.552   15.984   59.849   6.0276   68.518   17.232 -8.668617 18.25557 
1 1 1   20   14   28 o  148.562   6.0275  141.924   8.5448  138.278   9.1911  165.147   23.197  142.586   4.7567  154.537   11.077 -11.95110 12.05494 
1 1 1   20   14   29 o  174.552   6.2179  218.976   10.639  223.700   11.647  195.183   26.138  181.339   4.7396  167.765   11.497 13.57408 12.43581 
1 1 1   20   14   30 o  116.828   7.0591  100.820   7.3015  103.193   7.8468   85.502   19.935  123.153   4.7018  110.503   13.312 12.65051 14.11816 
1 1 1   20   14   31 o   66.527   10.166   32.410   5.6816   32.643   5.9831   30.274   18.127   69.127   6.3869   63.926   19.303 5.200817 20.33182 
1 1 1   20   14   32 o   77.054   6.1324   40.552   6.4034   40.552   6.4034   0.0000   0.0000   77.054   6.1324  ?   ?       ?      ? 
1 1 1   20   14   33 o  124.235   4.9024  105.149   8.2534  105.149   8.2534   0.0000   0.0000  124.235   4.9024  ?   ?       ?      ? 
1 1 1   20   14   34 o   61.187   9.6702   32.438   6.2873   35.502   6.8735   16.739   15.559   71.953   7.0493   50.420   18.010 21.53251 19.34035 
1 1 1   20   14   35 o   63.774   9.3675   39.275   6.6520   45.861   7.4036   11.688   15.153   81.799   6.6790   45.750   17.504 36.04916 18.73491 
1 1 1   20   14   36 o  127.066   11.686  113.541   20.123   0.0000   0.0000  113.541   20.123  ?   ?   127.066   11.686      ?      ? 
1 1 1   20   14   37 o  209.780   6.0516  316.919   13.235  324.543   14.734  285.064   30.115  218.053   4.9861  201.507   11.028 16.54625 12.10324 
1 1 1   20   14   38 o  138.102   5.8500  112.449   8.0541  104.306   8.6735  163.432   21.702  123.547   5.1806  152.658   10.491 -29.11128 11.70000 
1 1 1   20   14   39 o   90.790   6.8860   49.008   6.0842   45.673   6.5238   71.275   16.858   81.620   5.8983   99.960   12.445 -18.34049 13.77204 
1 1 1   20   14   40 o  120.356   6.4633  100.710   7.6785  100.519   8.3748  101.713   19.234  121.227   5.0979  119.485   11.879 1.742302 12.92658 
1 1 1   20   14   41 o   50.960   9.3282   17.461   4.8524   17.003   5.1848   20.694   13.774   49.521   7.7261   52.400   16.981 -2.879486 18.65631 
1 1 1   20   14   42 o   61.658   8.8589   18.641   6.3605   11.228   7.0482   51.161   14.763   39.325   12.070   83.991   12.970 -44.66548 17.71774 
1 1 1   20   14   43 o   71.142   8.8270   34.769   6.9114   32.840   7.7820   41.973   15.038   68.550   8.3773   73.735   15.540 -5.184975 17.65405 
1 1 1   20   14   44 o   55.973   9.0839   28.125   5.3826   30.568   5.8263   13.896   14.062   66.505   6.4648   45.442   16.979 21.06311 18.16774 
1 1 1   20   14   45 o   37.404   15.560   5.1019   13.033   0.0000   0.0000   5.1019   13.033  ?   ?    37.404   15.560      ?      ? 
1 1 1   20   14   46 o   69.017   16.553   38.277   15.282   0.0000   0.0000   38.277   15.282  ?   ?    69.017   16.553      ?      ? 
1 1 1   20   14   47 o   61.612   16.701   30.920   14.294   0.0000   0.0000   30.920   14.294  ?   ?    61.612   16.701      ?      ? 
1 1 1   20   14   48 o   70.949   16.568   40.988   15.640   0.0000   0.0000   40.988   15.640  ?   ?    70.949   16.568      ?      ? 
1 1 1   20   14   49 o   64.654   17.622   35.168   15.862   0.0000   0.0000   35.168   15.862  ?   ?    64.654   17.622      ?      ? 
1 1 1   20   14   50 o   70.095   16.683   40.660   15.617   0.0000   0.0000   40.660   15.617  ?   ?    70.095   16.683      ?      ? 
1 1 1   20   14   51 f   49.838   17.453   20.249   14.550   0.0000   0.0000   20.249   14.550  ?   ?    49.838   17.453      ?      ? 
1 1 1   20   15    0 o  156.403   4.9028  165.751   10.368  153.223   14.148  180.286   15.239  150.044   6.9581  162.761   6.9089 -12.71735 9.805507 
1 1 1   20   15    1 o  321.722   5.2690  705.198   22.961  715.179   32.127  694.776   32.827  324.080   7.3153  319.364   7.5852 4.715454 10.53802 
1 1 1   20   15    2 o  279.830   5.0503  533.475   19.134  558.949   27.030  507.889   27.089  286.564   6.9604  273.096   7.3196 13.46774 10.10069 
1 1 1   20   15    3 o  169.652   4.9002  196.536   11.220  215.409   15.797  177.322   15.939  177.939   6.5511  161.365   7.2890 16.57378 9.800315 
1 1 1   20   15    4 o  184.806   4.8112  232.924   12.024  245.577   16.811  219.672   17.204  189.988   6.5296  179.625   7.0679 10.36263 9.622455 
1 1 1   20   15    5 o  136.582   5.0707  126.832   9.3777  120.868   12.976  133.354   13.568  133.224   7.1873  139.939   7.1549 -6.715073 10.14149 
1 1 1   20   15    6 o  323.810   5.2700  713.398   23.101  694.087   31.805  734.963   33.610  319.202   7.3527  328.418   7.5518 -9.216309 10.54004 
1 1 1   20   15    7 o  148.499   6.8789  149.926   11.818  149.078   13.542  152.634   24.205  147.989   6.7525  149.009   11.987 -1.019684 13.75788 
1 1 1   20   15    8 o  139.955   6.5813  140.428   9.1256  143.719   10.017  124.373   22.124  145.446   5.0824  134.464   12.142 10.98239 13.16261 
1 1 1   20   15    9 o   95.697   9.0177   73.371   7.2659   76.953   7.8551   52.143   19.121  106.404   5.4476   84.989   17.193 21.41547 18.03533 
1 1 1   20   15   10 o   43.522   10.504   6.4963   5.0628   4.5477   5.3394   23.855   15.936   28.698   10.509   58.346   18.190 -29.64832 21.00710 
1 1 1   20   15   11 o   99.190   8.4959   67.291   10.308   66.714   12.175   68.752   19.372   98.777   9.0959   99.603   14.352 -0.8266296 16.99171 
1 1 1   20   15   12 o  178.861   6.9718  201.656   15.975  169.375   19.153  275.449   28.958  157.387   8.9802  200.334   10.667 -42.94765 13.94361 
1 1 1   20   15   13 o   73.586   10.017   33.348   8.3835   28.612   9.4758   50.410   17.986   63.575   11.419   83.597   16.462 -20.02247 20.03490 
1 1 1   20   15   14 f  177.642   6.5044  222.775   12.533  227.616   14.104  204.606   27.324  182.928   5.6895  172.357   11.699 10.57097 13.00884 
1 1 1   20   15   15 o  192.321   6.2884  264.102   12.231  270.076   13.491  236.524   28.985  199.339   4.9942  185.303   11.543 14.03600 12.57684 
1 1 1   20   15   16 f  172.103   6.2150  201.313   10.617  200.665   11.578  204.740   26.613  171.817   4.9726  172.389   11.392 -0.5722351 12.42990 
1 1 1   20   15   17 f  188.841   6.3985  264.734   12.128  276.241   13.434  214.054   28.193  201.587   4.9177  176.095   11.814 25.49193 12.79707 
1 1 1   20   15   18 o  157.756   6.3250  173.507   9.8172  174.921   10.716  166.122   24.487  160.401   4.9300  155.112   11.650 5.288971 12.64995 
1 1 1   20   15   19 o  150.971   6.4337  155.092   9.3248  154.586   10.095  158.029   24.338  150.777   4.9408  151.166   11.881 -0.3888245 12.86737 
1 1 1   20   15   20 o   90.101   7.5698   48.171   6.2184   45.738   6.6008   67.364   18.541   81.939   5.9446   98.264   13.924 -16.32462 15.13958 
1 1 1   20   15   21 o  168.129   6.3930  202.678   10.480  206.792   11.455  181.554   25.956  174.371   4.8479  161.887   11.831 12.48407 12.78609 
1 1 1   20   15   22 o  206.682   6.1289  302.374   12.984  307.612   14.353  278.772   30.467  212.629   4.9811  200.735   11.200 11.89401 12.25780 
1 1 1   20   15   23 o  213.909   6.4066  308.764   15.947  303.390   18.277  325.907   32.644  210.845   6.3966  216.972   11.102 -6.126709 12.81328 
1 1 1   20   15   24 o   89.698   7.2776   55.050   8.8462   55.050   8.8462   0.0000   0.0000   89.698   7.2776  ?   ?       ?      ? 
1 1 1   20   15   25 o   49.671   10.573   17.701   6.8985   17.701   6.8985   0.0000   0.0000   49.671   10.573  ?   ?       ?      ? 
1 1 1   20   15   26 o  104.704   6.5965   74.947   9.3596   74.947   9.3596   0.0000   0.0000  104.704   6.5965  ?   ?       ?      ? 
1 1 1   20   15   27 o   69.220   9.5471   31.427   6.6519   29.966   7.2495   39.206   16.731   66.033   8.1014   72.406   17.290 -6.373505 19.09422 
1 1 1   20   15   28 o   91.230   7.6679   54.979   7.4490   53.240   8.2311   62.849   17.508   88.163   6.8896   94.297   13.701 -6.134079 15.33579 
1 1 1   20   15   29 o   41.303   8.7769   14.036   5.4630   17.468   5.8937  -6.9065   14.558   49.536   9.1158   33.069   15.001 16.46709 17.55371 
1 1 1   20   15   30 o   75.956   9.4174   42.493   6.9723   42.982   7.6479   40.089   16.967   79.128   7.1323   72.784   17.432 6.343872 18.83489 
1 1 1   20   15   31 o   78.929   8.4729   44.013   5.6788   43.854   6.0586   45.162   16.296   80.109   5.5809   77.748   16.000 2.360649 16.94584 
1 1 1   20   15   32 o   83.774   6.8706   32.907   5.2970   28.354   5.5740   75.339   17.015   64.306   6.3963  103.242   12.162 -38.93624 13.74130 
1 1 1   20   15   33 o  103.598   6.7861   71.518   6.4434   70.366   6.8971   79.414   18.063  101.512   5.0138  105.684   12.612 -4.171677 13.57216 
1 1 1   20   15   34 o   32.511   9.2800   3.5210   3.8428   3.1173   4.0125   7.9927   13.355   24.196   9.0638   40.825   16.196 -16.62817 18.55993 
1 1 1   20   15   35 o   66.166   8.6922   29.930   5.1385   29.294   5.4901   34.421   14.595   65.313   6.2029   67.020   16.240 -1.707153 17.38437 
1 1 1   20   15   36 o   63.731   9.2355   44.202   6.0655   49.976   6.5051   5.7589   16.785   85.379   5.6224   42.082   17.595 43.29703 18.47109 
1 1 1   20   15   37 o   42.322   8.3095   12.871   4.5956   12.871   4.5956   0.0000   0.0000   42.322   8.3095  ?   ?       ?      ? 
1 1 1   20   15   38 f   81.865   8.6131   49.537   6.0184   49.795   6.4474   47.788   16.780   85.165   5.5865   78.565   16.295 6.600052 17.22623 
1 1 1   20   15   39 o   83.544   8.8305   53.828   6.8573   55.150   7.5053   47.149   16.869   89.448   6.1918   77.640   16.540 11.80878 17.66107 
1 1 1   20   15   40 o   54.214   17.498   23.079   14.637   0.0000   0.0000   23.079   14.637  ?   ?    54.214   17.498      ?      ? 
1 1 1   20   15   41 f   86.086   13.906   55.174   16.223   0.0000   0.0000   55.174   16.223  ?   ?    86.086   13.906      ?      ? 
1 1 1   20   15   42 o   54.819   17.272   24.151   14.327   0.0000   0.0000   24.151   14.327  ?   ?    54.819   17.272      ?      ? 
1 1 1   20   15   43 o   54.058   17.358   23.634   14.417   0.0000   0.0000   23.634   14.417  ?   ?    54.058   17.358      ?      ? 
1 1 1   20   15   44 o   36.031   15.066   4.7294   12.309   0.0000   0.0000   4.7294   12.309  ?   ?    36.031   15.066      ?      ? 
1 1 1   20   15   45 o   73.079   15.992   43.125   15.397   0.0000   0.0000   43.125   15.397  ?   ?    73.079   15.992      ?      ? 
1 1 1   20   15   46 f   67.048   16.598   37.141   15.000   0.0000   0.0000   37.141   15.000  ?   ?    67.048   16.598      ?      ? 
1 1 1   20   16    0 o  138.270   5.1944  130.435   9.7279  133.571   13.657  127.205   13.860  139.975   7.1998  136.564   7.4893 3.410599 10.38876 
1 1 1   20   16    1 o  105.397   8.0202   81.396   10.123   65.182   18.367   88.470   12.132   96.949   13.980  113.845   7.8639 -16.89593 16.04041 
1 1 1   20   16    2 o  143.763   6.4586  134.560   11.675  160.059   21.624  124.068   13.871  152.682   10.451  134.844   7.5909 17.83823 12.91712 
1 1 1   20   16    3 o  104.225   5.7406   75.223   7.9953   84.370   10.926   64.679   11.730  111.226   7.2491   97.225   8.9034 14.00066 11.48129 
1 1 1   20   16    4 o  139.146   5.0435  132.135   9.4817  133.434   12.956  130.637   13.914  139.919   6.8327  138.372   7.4203 1.547409 10.08700 
1 1 1   20   16    5 o  128.943   5.1923  113.060   9.0471  108.707   12.254  118.274   13.413  126.246   7.1629  131.640   7.5190 -5.393669 10.38468 
1 1 1   20   16    6 o  217.204   4.8933  320.022   14.356  301.851   19.373  342.154   21.381  210.426   6.7940  223.983   7.0442 -13.55725 9.786619 
1 1 1   20   16    7 o  165.155   7.1244  200.033   13.313  212.272   15.398  163.794   26.495  176.504   6.4376  153.805   12.712 22.69873 14.24886 
1 1 1   20   16    8 o  122.872   7.5652  108.086   10.231  111.355   11.604   96.671   21.683  127.799   6.7002  117.946   13.566 9.852768 15.13050 
1 1 1   20   16    9 o  146.439   6.4976  145.736   9.4493  145.117   10.305  149.006   23.689  146.064   5.2060  146.813   11.907 -0.7498932 12.99530 
1 1 1   20   16   10 o   75.970   10.016   50.685   6.5545   54.183   7.0505   28.410   17.791   89.201   5.8327   62.738   19.163 26.46254 20.03109 
1 1 1   20   16   11 o  118.645   7.2995   99.321   8.0987  100.290   8.7529   93.554   21.350  121.401   5.3204  115.890   13.595 5.511208 14.59892 
1 1 1   20   16   12 o   84.945   9.6110   59.563   6.8057   62.600   7.3286   40.533   18.345   95.881   5.6404   74.009   18.376 21.87138 19.22203 
1 1 1   20   16   13 f  132.103   6.5965  117.366   8.5198  116.246   9.2467  123.658   21.921  130.694   5.2210  133.513   12.116 -2.819321 13.19290 
1 1 1   20   16   14 o   35.630   9.0668   8.4017   4.8002   10.354   5.0314 -11.3947   16.020   38.070   9.7192   33.191   15.309 4.879246 18.13351 
1 1 1   20   16   15 o   96.824   5.5279   63.860   7.2531   63.860   7.2531   0.0000   0.0000   96.824   5.5279  ?   ?       ?      ? 
1 1 1   20   16   16 o  104.316   5.3731   74.118   7.5955   74.118   7.5955   0.0000   0.0000  104.316   5.3731  ?   ?       ?      ? 
1 1 1   20   16   17 o   77.243   6.0756   40.709   6.3596   40.709   6.3596   0.0000   0.0000   77.243   6.0756  ?   ?       ?      ? 
1 1 1   20   16   18 o   23.395   9.8478   0.5416   5.3143   0.5416   5.3143   0.0000   0.0000   23.395   9.8478  ?   ?       ?      ? 
1 1 1   20   16   19 o   84.252   9.9466   58.253   8.0111   62.427   8.8830   40.070   18.542   95.526   6.8621   72.978   18.672 22.54768 19.89322 
1 1 1   20   16   20 o   90.122   8.0418   54.879   7.7081   53.864   8.5403   59.339   17.902   88.682   7.1065   91.561   14.428 -2.879082 16.08351 
1 1 1   20   16   21 o   96.583   8.7643   72.145   8.2221   75.784   9.1528   56.931   18.714  105.273   6.4159   87.893   16.312 17.37997 17.52865 
1 1 1   20   16   22 o   62.596   10.098   30.986   6.5404   32.472   7.1110   22.830   16.664   68.758   7.6318   56.434   18.698 12.32363 20.19548 
1 1 1   20   16   23 o   72.962   8.8048   32.425   5.4858   30.804   5.7973   46.312   16.966   67.090   6.3765   78.834   16.415 -11.74355 17.60966 
1 1 1   20   16   24 f  110.978   6.6217   76.165   6.9503   72.839   7.4385   99.032   19.505  103.305   5.3135  118.651   12.131 -15.34698 13.24348 
1 1 1   20   16   25 o   60.838   9.3980   23.310   5.1303   22.287   5.4314   31.784   15.626   56.968   7.0356   64.708   17.430 -7.740036 18.79597 
1 1 1   20   16   26 o  132.297   6.5574  125.870   8.3045  127.826   9.0357  115.227   21.073  136.885   4.8710  127.710   12.177 9.175056 13.11478 
1 1 1   20   16   27 o  110.731   6.4033   75.927   6.8498   72.343   7.3584   99.191   18.749  102.895   5.2773  118.568   11.669 -15.67256 12.80656 
1 1 1   20   16   28 o   79.434   9.0622   50.998   5.8859   52.772   6.2984   38.769   16.536   87.859   5.2900   71.009   17.335 16.85030 18.12443 
1 1 1   20   16   29 o   81.648   8.9721   55.789   6.0370   58.510   6.4984   38.643   16.313   92.507   5.1839   70.790   17.179 21.71680 17.94411 
1 1 1   20   16   30 o   84.921   8.6525   58.509   6.0756   60.844   6.5378   43.731   16.450   94.321   5.1149   75.521   16.532 18.80013 17.30504 
1 1 1   20   16   31 o   51.752   9.2210   20.209   4.7762   20.649   5.0807   16.859   14.007   54.722   6.8514   48.782   17.122 5.940060 18.44207 
1 1 1   20   16   32 o   95.098   7.2881   63.404   6.3482   63.244   6.8213   64.444   17.347   96.087   5.2387   94.110   13.602 1.977310 14.57624 
1 1 1   20   16   33 o  107.424   6.7520   71.653   7.5647   66.773   8.2522   97.339   18.931   98.479   6.1836  116.369   12.005 -17.88976 13.50394 
1 1 1   20   16   34 o   80.803   9.3324   55.221   6.6545   58.322   7.2502   38.639   16.765   92.086   5.8100   69.520   17.737 22.56575 18.66471 
1 1 1   20   16   35 o   34.630   9.8681   1.3418   5.6879  -1.4202   6.2407   14.892   13.823   23.014   10.172   46.247   16.913 -23.23285 19.73616 
1 1 1   20   16   36 o  133.250   11.782  128.657   21.275   0.0000   0.0000  128.657   21.275  ?   ?   133.250   11.782      ?      ? 
1 1 1   20   16   37 o  106.463   13.293   83.968   19.178   0.0000   0.0000   83.968   19.178  ?   ?   106.463   13.293      ?      ? 
1 1 1   20   16   38 o   37.466   15.642   5.1996   13.241   0.0000   0.0000   5.1996   13.241  ?   ?    37.466   15.642      ?      ? 
1 1 1   20   16   39 o   57.158   16.835   26.637   13.920   0.0000   0.0000   26.637   13.920  ?   ?    57.158   16.835      ?      ? 
1 1 1   20   16   40 o   46.863   17.328   16.270   14.573   0.0000   0.0000   16.270   14.573  ?   ?    46.863   17.328      ?      ? 
1 1 1   20   17    0 o  110.675   5.6923   83.788   8.4909   82.840   11.400   84.969   12.724  110.031   7.6458  111.319   8.4350 -1.287369 11.38453 
1 1 1   20   17    1 o  204.816   4.9948  284.727   13.786  269.508   18.367  304.361   20.862  198.649   6.8229  210.984   7.2967 -12.33441 9.989683 
1 1 1   20   17    2 o  130.141   6.2205  120.090   10.340  129.301   12.955  103.929   17.160  137.565   6.9495  122.717   10.319 14.84792 12.44103 
1 1 1   20   17    3 o   74.175   7.5987   36.001   7.3684   30.786   9.0754   46.088   12.622   66.813   10.024   81.536   11.423 -14.72311 15.19746 
1 1 1   20   17    4 f   71.008   7.8862   32.315   7.1067   24.739   8.6610   47.927   12.434   58.824   11.275   83.193   11.029 -24.36927 15.77242 
1 1 1   20   17    5 o   98.625   6.4579   63.544   8.2607   56.132   10.081   78.696   14.413   90.455   8.2238  106.796   9.9593 -16.34091 12.91584 
1 1 1   20   17    6 o   62.014   10.502   29.346   9.2419   15.523   14.349   39.145   12.081   49.016   17.318   75.012   11.885 -25.99567 21.00434 
1 1 1   20   17    7 o   64.451   13.141   30.636   11.793   30.606   14.687   30.692   19.788   64.304   16.704   64.598   20.290 -0.2943802 26.28132 
1 1 1   20   17    8 o  142.307   6.8661  142.070   9.5459  143.133   10.406  136.423   23.980  144.938   5.2980  139.677   12.669 5.260498 13.73229 
1 1 1   20   17    9 o   78.324   10.134   52.298   6.8622   55.346   7.3898   33.213   18.492   90.041   6.0563   66.607   19.343 23.43369 20.26886 
1 1 1   20   17   10 o   59.182   10.061   27.929   6.0294   29.304   6.4574   18.579   16.840   65.398   7.2864   52.967   18.756 12.43167 20.12189 
1 1 1   20   17   11 o   47.168   9.7320   16.949   5.6214   18.493   5.9920   5.6161   16.237   51.833   8.5306   42.502   17.495 9.331253 19.46391 
1 1 1   20   17   12 o   57.667   9.2503   33.186   6.0538   37.848   6.4989   2.6076   16.644   74.392   6.4466   40.942   17.341 33.44925 18.50062 
1 1 1   20   17   13 o  169.382   6.6385  217.226   11.248  228.093   12.483  170.293   25.942  182.938   5.0354  155.825   12.285 27.11259 13.27709 
1 1 1   20   17   14 o   70.792   9.2042   30.520   5.9012   28.680   6.2827   44.302   17.198   64.661   7.1700   76.922   16.955 -12.26101 18.40846 
1 1 1   20   17   15 f   52.233   10.345   16.693   5.4130   15.753   5.7387   24.273   16.299   46.923   9.3532   57.544   18.454 -10.62135 20.68908 
1 1 1   20   17   16 o  178.822   6.4159  229.208   11.567  233.487   12.743  209.187   27.563  185.014   5.0825  172.629   11.782 12.38567 12.83188 
1 1 1   20   17   17 o  193.202   6.3822  268.851   12.585  274.781   13.922  242.354   29.430  200.672   5.1197  185.732   11.693 14.94006 12.76445 
1 1 1   20   17   18 o   65.792   9.9932   33.598   5.9996   34.396   6.4057   27.901   17.121   70.807   6.6759   60.778   18.838 10.02942 19.98632 
1 1 1   20   17   19 o  115.461   7.5076  103.670   8.0099  108.341   8.7352   78.992   20.077  125.968   5.1171  104.953   14.116 21.01536 15.01529 
1 1 1   20   17   20 o   97.611   7.4830   65.663   6.8435   65.239   7.3748   68.296   18.364   97.662   5.5724   97.561   13.890 0.1004105 14.96606 
1 1 1   20   17   21 o   95.948   7.7588   69.451   6.8780   71.462   7.4659   58.170   17.683  102.225   5.3895   89.672   14.552 12.55220 15.51751 
1 1 1   20   17   22 o   51.913   8.6257   26.897   5.2947   30.710   5.6547  -0.2275   15.082   66.890   6.2382   36.936   16.084 29.95444 17.25130 
1 1 1   20   17   23 o   60.356   9.4799   26.770   5.3058   26.874   5.6586   26.009   15.265   62.493   6.6818   58.220   17.743 4.273415 18.95989 
1 1 1   20   17   24 o   76.758   9.2495   45.179   6.0461   45.924   6.4736   40.092   16.918   81.819   5.8386   71.697   17.553 10.12157 18.49898 
1 1 1   20   17   25 o   79.939   8.3831   42.783   5.9507   41.574   6.3652   51.169   16.764   77.789   6.0382   82.089   15.641 -4.299919 16.76612 
1 1 1   20   17   26 f   93.935   7.5609   59.742   7.1576   58.375   7.8120   66.888   17.866   92.096   6.2594   95.775   13.766 -3.678200 15.12188 
1 1 1   20   17   27 o   30.335   9.1303   2.8360   4.4782   3.1920   4.7258  -0.2974   14.020   25.380   9.7598   35.291   15.434 -9.910776 18.26060 
1 1 1   20   17   28 o   85.061   8.3283   50.486   6.7553   49.521   7.3502   55.736   17.141   84.725   6.4019   85.396   15.377 -0.6718750 16.65669 
1 1 1   20   17   29 o   54.250   9.4131   25.761   5.5081   27.705   5.9033   12.689   15.312   63.250   6.8874   45.250   17.521 18.00008 18.82619 
1 1 1   20   17   30 o   91.774   8.0514   49.662   8.9262   37.654   10.183   89.500   18.547   72.672   10.340  110.876   12.344 -38.20414 16.10272 
1 1 1   20   17   31 o   61.731   17.388   30.856   15.166   0.0000   0.0000   30.856   15.166  ?   ?    61.731   17.388      ?      ? 
1 1 1   20   17   32 o   43.944   16.976   12.382   14.348   0.0000   0.0000   12.382   14.348  ?   ?    43.944   16.976      ?      ? 
1 1 1   20   17   33 o   38.114   15.984   5.2805   13.917   0.0000   0.0000   5.2805   13.917  ?   ?    38.114   15.984      ?      ? 
1 1 1   20   17   34 o   63.650   17.144   33.331   15.118   0.0000   0.0000   33.331   15.118  ?   ?    63.650   17.144      ?      ? 
1 1 1   20   17   35 f   50.052   17.600   19.772   14.804   0.0000   0.0000   19.772   14.804  ?   ?    50.052   17.600      ?      ? 
1 1 1   20   18    0 f   92.565   6.2737   60.434   7.6943   68.674   10.373   50.354   11.472   99.955   7.6582   85.176   9.9393 14.77883 12.54745 
1 1 1   20   18    1 o   48.489   9.2268   16.689   6.2214   12.968   8.2393   21.623   9.4892   42.669   13.042   54.309   13.055 -11.63980 18.45362 
1 1 1   20   18    2 o  116.847   8.0370  101.905   10.398  107.534   11.921   84.008   21.256  125.194   7.0267  108.499   14.457 16.69439 16.07407 
1 1 1   20   18    3 f  184.927   6.7642  240.376   14.688  243.769   17.053  230.624   28.908  188.590   6.6725  181.264   11.769 7.326477 13.52849 
1 1 1   20   18    4 o   65.720   8.0051   33.574   6.4885   43.693   8.5411   19.765   9.9777   79.645   7.9135   51.794   13.918 27.85131 16.01024 
1 1 1   20   18    5 o   77.918   6.5167   41.012   6.7901   35.329   8.7887   49.428   10.695   71.417   9.0811   84.419   9.3488 -13.00162 13.03331 
1 1 1   20   18    6 o   76.197   6.6629   39.805   6.7983   37.243   8.8472   43.499   10.623   73.339   8.9019   79.056   9.9161 -5.716751 13.32571 
1 1 1   20   18    7 o  146.046   7.1463  153.532   11.750  157.823   13.445  139.656   24.177  151.702   6.5403  140.389   12.708 11.31287 14.29261 
1 1 1   20   18    8 o   79.994   9.9619   53.797   6.8134   56.472   7.3366   37.031   18.370   90.825   5.9609   69.163   19.011 21.66238 19.92382 
1 1 1   20   18    9 o   77.920   8.0534   35.008   6.2125   31.916   6.6672   55.387   17.116   68.103   7.2243   87.736   14.396 -19.63302 16.10672 
1 1 1   20   18   10 o   74.559   9.7558   48.460   6.4849   51.712   7.0253   29.726   16.860   86.887   5.9666   62.231   18.577 24.65685 19.51170 
1 1 1   20   18   11 o   91.728   7.9728   55.788   8.3119   53.003   9.3710   66.061   17.998   87.585   7.8954   95.870   13.854 -8.285233 15.94557 
1 1 1   20   18   12 o   73.735   9.6825   40.769   7.6434   41.561   8.6094   37.825   16.608   77.473   8.2005   69.996   17.543 7.476341 19.36506 
1 1 1   20   18   13 o   92.932   8.0894   59.235   8.3111   57.890   9.3277   64.420   18.307   91.565   7.5173   94.300   14.326 -2.734962 16.17883 
1 1 1   20   18   14 o   37.826   10.077   7.5735   5.0187   7.4323   5.3185   8.7211   15.162   32.783   10.544   42.868   17.175 -10.08532 20.15340 
1 1 1   20   18   15 o   64.646   9.1602   19.915   5.6289   15.895   5.9786   51.295   16.704   46.836   9.7374   82.456   15.518 -35.62016 18.32034 
1 1 1   20   18   16 f  161.814   6.5304  187.828   10.487  190.281   11.498  175.696   25.569  166.777   5.0875  156.852   12.029 9.924515 13.06072 
1 1 1   20   18   17 f   99.990   8.3175   76.329   8.1365   79.017   8.9606   63.703   19.423  107.204   6.1680   92.776   15.449 14.42864 16.63503 
1 1 1   20   18   18 f   46.593   10.246   15.478   5.6899   15.773   6.0945   13.476   15.880   46.512   9.9689   46.673   17.905 -0.1609383 20.49268 
1 1 1   20   18   19 o   59.547   9.7551   24.254   5.9451   23.335   6.4364   29.596   15.515   57.879   8.2062   61.214   17.700 -3.335579 19.51017 
1 1 1   20   18   20 o   95.291   7.8998   67.805   7.6588   69.602   8.4931   59.984   17.720  100.510   6.2355   90.072   14.517 10.43822 15.79958 
1 1 1   20   18   21 o   76.547   9.0558   38.312   6.8279   35.961   7.4188   51.331   17.458   71.920   7.6120   81.174   16.434 -9.253647 18.11168 
1 1 1   20   18   22 o  143.423   6.7487  149.079   10.539  151.962   11.892  138.534   22.744  148.549   5.9076  138.298   12.136 10.25078 13.49732 
1 1 1   20   18   23 o   98.878   7.8854   72.461   7.9839   73.833   8.8529   66.487   18.479  103.385   6.3189   94.370   14.449 9.015480 15.77071 
1 1 1   20   18   24 o   91.214   8.6554   65.075   7.6486   67.461   8.4931   54.831   17.595   98.776   6.3449   83.652   16.106 15.12480 17.31073 
1 1 1   20   18   25 o   74.747   17.144   45.020   16.996   0.0000   0.0000   45.020   16.996  ?   ?    74.747   17.144      ?      ? 
1 1 1   20   18   26 o   68.357   16.795   37.770   15.446   0.0000   0.0000   37.770   15.446  ?   ?    68.357   16.795      ?      ? 
1 1 1   20   18   27 o   51.935   17.910   21.401   15.293   0.0000   0.0000   21.401   15.293  ?   ?    51.935   17.910      ?      ? 
1 1 1   20   18   28 o   75.494   16.381   45.913   16.277   0.0000   0.0000   45.913   16.277  ?   ?    75.494   16.381      ?      ? 
1 1 1   20   19    0 o   45.228   9.3468   14.353   6.1725   9.9814   8.1152   20.354   9.5077   38.288   13.051   52.168   13.383 -13.87981 18.69368 
1 1 1   20   19    1 o   72.146   8.1649   41.379   7.0870   55.419   9.3804   22.707   10.818   89.457   7.7379   54.835   14.380 34.62189 16.32979 
1 1 1   20   19    2 o   47.996   9.0595   16.080   6.0611   10.963   7.8009   23.876   9.6282   39.368   12.781   56.624   12.843 -17.25587 18.11904 
1 1 1   20   19    3 o   36.789   8.6613   8.6401   5.7048   14.798   7.4836   0.0972   8.8144   44.733   12.067   28.845   12.428 15.88760 17.32262 
1 1 1   20   19    4 o   74.442   6.8658   39.215   6.7873   40.588   8.8670   37.272   10.548   76.317   8.5738   72.567   10.726 3.749947 13.73157 
1 1 1   20   19    5 o   69.011   8.5236   35.614   7.5324   23.327   10.675   47.801   10.631   55.489   14.151   82.532   9.5049 -27.04293 17.04718 
1 1 1   20   19    6 o   53.079   9.1884   21.425   6.8671   12.351   9.8213   30.105   9.6054   42.008   14.358   64.150   11.470 -22.14244 18.37688 
1 1 1   20   19    7 o   55.701   10.134   20.932   6.2194   19.527   6.8180   27.897   15.179   51.815   10.073   59.586   17.588 -7.770519 20.26834 
1 1 1   20   19    8 o   37.743   10.648   6.6178   7.4152   6.0683   8.6213   8.1801   14.536   33.989   13.151   41.497   16.749 -7.507805 21.29507 
1 1 1   20   19    9 o  111.292   7.9984   89.127   11.256   90.284   13.744   86.771   19.615  113.492   8.9363  109.092   13.268 4.399384 15.99685 
1 1 1   20   19   10 o   48.832   10.555   19.304   7.9029   23.563   9.2180   7.4889   15.352   56.106   12.449   41.557   17.048 14.54911 21.10942 
1 1 1   20   19   11 o   76.060   8.2018   33.321   6.6576   28.929   7.2496   56.960   16.821   64.338   8.3149   87.782   14.140 -23.44406 16.40365 
1 1 1   20   19   12 o   40.549   10.338   9.1164   5.5118   8.1025   5.9458   15.312   14.698   34.028   11.164   47.069   17.403 -13.04176 20.67584 
1 1 1   20   19   13 o   33.947   9.9013   3.2429   5.2169   2.2865   5.5877   9.7392   14.563   25.549   10.359   42.345   16.877 -16.79515 19.80264 
1 1 1   20   19   14 o   75.750   9.9088   49.278   7.2025   52.501   7.9307   34.106   17.207   87.057   6.7224   64.444   18.643 22.61328 19.81767 
1 1 1   20   19   15 o   75.655   8.9360   36.072   6.8240   32.820   7.4273   53.685   17.285   68.488   8.0026   82.821   15.980 -14.33262 17.87206 
1 1 1   20   19   16 o   66.154   9.8494   38.111   6.6852   40.843   7.3473   24.965   16.115   76.639   7.0745   55.669   18.385 20.97039 19.69871 
1 1 1   20   19   17 o   58.391   10.123   18.561   6.0287   14.929   6.4783   42.036   16.469   44.711   10.811   72.072   17.117 -27.36099 20.24549 
1 1 1   20   19   18 o   62.122   11.240   26.929   8.7448   21.292   10.217   42.374   16.911   52.288   14.097   71.956   17.509 -19.66830 22.47915 
1 1 1   20   19   19 o   41.349   16.887   8.7186   14.980   0.0000   0.0000   8.7186   14.980  ?   ?    41.349   16.887      ?      ? 
1 1 1   20   20    0 o   31.725   9.2712   3.3161   6.4690   2.6916   8.8188   4.0437   9.5184   30.689   12.785   32.761   13.429 -2.071472 18.54233 
1 1 1   20   20    1 o   38.569   9.7771   10.009   6.5747   12.367   9.0561   7.3805   9.5606   41.195   13.788   35.943   13.865 5.251949 19.55412 
1 1 1   20   20    2 f   39.478   9.7586   10.778   6.6144   14.238   9.0086   6.7312   9.7427   43.508   13.694   35.448   13.906 8.059303 19.51718 
1 1 1   20   20    3 f   59.835   8.8707   27.188   7.1173   35.465   10.070   18.926   10.060   70.245   10.579   49.425   14.242 20.82063 17.74140 
1 1 1   20   20    4 o   72.424   7.7733   37.967   7.6137   39.729   10.635   36.115   10.905   74.325   10.559   70.522   11.411 3.802711 15.54650 
1 1 1   20   20    5 o   37.672   9.4754   9.6492   6.2042   12.245   8.3736   6.4898   9.2382   40.700   13.243   34.644   13.555 6.056087 18.95076 
1 1 1   20   20    6 o   44.494   10.049   15.987   7.5344   21.371   8.7715   0.8364   14.714   52.939   12.438   36.050   15.787 16.88922 20.09808 
1 1 1   20   20    7 o   51.993   9.8217   23.305   6.4950   25.711   7.1013   10.995   16.065   60.299   8.6905   43.687   17.616 16.61212 19.64335 
1 1 1   20   20    8 o   42.731   9.6237   14.786   5.9071   16.840   6.4189   3.4225   15.097   47.600   10.254   37.862   16.289 9.738110 19.24732 
1 1 1   20   20    9 o   75.439   7.6517   39.910   7.8224   39.910   7.8224   0.0000   0.0000   75.439   7.6517  ?   ?       ?      ? 
1 1 1   20   20   10 o  114.044   6.4726   90.369   10.003   90.369   10.003   0.0000   0.0000  114.044   6.4726  ?   ?       ?      ? 
1 1 1   20   20   11 o   56.001   8.8624   22.282   6.7256   22.282   6.7256   0.0000   0.0000   56.001   8.8624  ?   ?       ?      ? 
1 1 1   20   20   12 o   22.880   9.8829  -0.0208   5.6025  -0.0208   5.6025   0.0000   0.0000   22.880   9.8829  ?   ?       ?      ? 
1 1 1   20   21    0 o   41.780   10.747   11.053   7.6136   7.0353   9.3368   19.027   13.153   34.891   13.634   48.670   16.616 -13.77898 21.49346 
1 1 1   20   21    1 o   35.840   9.5751  -0.8169   7.1929 -11.4931   8.8066   20.577   12.467   21.415   10.305   50.265   16.141 -28.84994 19.15017 
1 1 1   20   21    2 o   80.572   9.0343   49.543   9.3116   50.163   11.902   48.565   14.951   82.882   10.597   78.262   14.635 4.620468 18.06868 
1 1 1   20   21    3 o   50.678   17.114   21.141   13.953   0.0000   0.0000   21.141   13.953  ?   ?    50.678   17.114      ?      ? 
1 1 1   20   21    4 o   71.593   15.778   41.869   14.895   0.0000   0.0000   41.869   14.895  ?   ?    71.593   15.778      ?      ? 
1 1 1   20   21    5 o   44.937   10.902   14.038   7.7306   9.7752   9.4552   22.634   13.426   37.726   13.956   52.147   16.752 -14.42074 21.80356 
1 1 1   20   21    6 o   56.672   13.563   25.441   10.278   25.441   10.278   0.0000   0.0000   56.672   13.563  ?   ?       ?      ? 
1 1 1   21    0    0 o  757.984   12.539  3899.67  128.716  3899.67  128.716   0.0000   0.0000  757.984   12.539  757.984   12.539 -0.000000 0.000000 
1 1 1   21    0    1 o  682.460   11.490  3160.96  106.193  3160.96  106.193   0.0000   0.0000  682.460   11.490  682.460   11.490 -0.000000 0.000000 
1 1 1   21    0    2 o  576.552   10.053  2255.76   78.489  2255.76   78.489   0.0000   0.0000  576.552   10.053  576.552   10.053 -0.000000 0.000000 
1 1 1   21    0    3 o  299.918   6.7460  610.578   27.386  610.578   27.386   0.0000   0.0000  299.918   6.7460  299.918   6.7460 -0.000000 0.000000 
1 1 1   21    0    4 o  531.346   9.4186  1915.87   67.770  1915.87   67.770   0.0000   0.0000  531.346   9.4186  531.346   9.4186 -0.000000 0.000000 
1 1 1   21    0    6 o  241.499   6.2016  396.055   20.265  396.055   20.265   0.0000   0.0000  241.499   6.2016  241.499   6.2016 -0.000000 0.000000 
1 1 1   21    0    7 o  165.010   5.8589  185.231   13.064  185.231   13.064   0.0000   0.0000  165.010   5.8589  165.010   5.8589 -0.000000 0.000000 
1 1 1   21    0    8 o  1124.53   17.941  8605.95  272.824  8294.71  375.970  8952.14  396.514  1103.11   25.180  1145.95   25.562 -0.000000 0.000000 
1 1 1   21    0    9 o  645.280   10.999  2830.30   96.033  2788.58  134.160  2874.14  137.525  640.408   15.480  650.153   15.630 -0.000000 0.000000 
1 1 1   21    0   10 o  626.039   10.732  2659.62   90.838  2802.41  131.912  2530.84  125.273  642.016   15.181  610.063   15.174 -0.000000 0.000000 
1 1 1   21    0   11 o  805.571   13.245  4416.38  144.412  4411.77  203.566  4421.04  204.900  805.157   18.680  805.984   18.783 -0.000000 0.000000 
1 1 1   21    0   12 o  1514.25   23.870 15703.30  489.215 15503.51  685.312 15910.90  698.589  1504.47   33.652  1524.03   33.863 -0.000000 0.000000 
1 1 1   21    0   13 o  1143.75   18.260  8874.48  281.721  8281.19  379.681  9601.25  420.225  1101.53   25.466  1185.98   26.176 -0.000000 0.000000 
1 1 1   21    0   14 o  222.815   6.1676  336.532   18.506  316.769   25.052  360.268   27.455  215.633   8.6044  229.998   8.8385 -0.000000 0.000000 
1 1 1   21    0   15 o  521.837   9.3173  1851.83   65.789  1876.44   93.052  1827.23   93.028  525.323   13.090  518.351   13.263 -0.000000 0.000000 
1 1 1   21    0   16 o  414.260   7.9776  1165.23   44.664  1240.97   64.417  1095.11   61.982  427.252   11.143  401.269   11.419 -0.000000 0.000000 
1 1 1   21    0   17 o  520.543   9.2880  1843.01   65.419  1848.87   92.037  1837.02   93.003  521.395   13.044  519.691   13.225 -0.000000 0.000000 
1 1 1   21    0   19 o  159.603   5.9252  174.498   12.678  178.020   17.253  170.363   18.693  161.447   7.9294  157.759   8.8065 -0.000000 0.000000 
1 1 1   21    0   20 o  319.153   6.9106  691.746   29.786  670.404   40.876  715.907   43.492  313.918   9.6294  324.388   9.9148 -0.000000 0.000000 
1 1 1   21    0   21 o  388.119   7.6606  1024.97   40.210  1041.85   56.570  1007.73   57.167  391.378   10.684  384.860   10.981 -0.000000 0.000000 
1 1 1   21    0   22 f  426.081   11.607  1235.29   66.907   0.0000   0.0000  1235.29   66.907  426.081   11.607  426.081   11.607 -0.000000 0.000000 
1 1 1   21    0   23 o  460.636   12.178  1444.07   75.900   0.0000   0.0000  1444.07   75.900  460.636   12.178  460.636   12.178 -0.000000 0.000000 
1 1 1   21    0   24 o  110.142   9.4820   84.130   13.911   0.0000   0.0000   84.130   13.911  110.142   9.4820  110.142   9.4820 -0.000000 0.000000 
1 1 1   21    0   25 o  314.498   6.8807  673.746   29.236  699.117   41.120  647.808   41.577  320.543   9.4852  308.453   9.9704 -0.000000 0.000000 
1 1 1   21    0   26 o  211.161   6.0535  301.458   17.175  278.370   22.958  330.799   25.881  202.034   8.4187  220.288   8.7007 -0.000000 0.000000 
1 1 1   21    0   27 o   83.835   6.9416   49.480   7.4749   48.805   9.7184   50.459   11.697   83.440   8.8203   84.230   10.721 -0.000000 0.000000 
1 1 1   21    0   28 o  363.031   7.3917  897.222   36.263  947.416   51.636  848.373   50.939  373.111   10.230  352.952   10.672 -0.000000 0.000000 
1 1 1   21    0   29 o  401.295   7.8314  1093.50   42.438  1048.29   57.933  1145.85   62.342  392.377   10.914  410.213   11.234 -0.000000 0.000000 
1 1 1   21    0   30 o  108.847   6.2930   81.684   9.0011   80.144   11.716   83.903   14.062  107.769   8.1285  109.925   9.6090 -0.000000 0.000000 
1 1 1   21    0   31 o  160.232   5.9500  175.222   12.741  172.025   16.939  179.386   19.334  158.629   7.9250  161.835   8.8771 -0.000000 0.000000 
1 1 1   21    0   32 o  196.089   8.1107  262.292   21.468  262.292   21.468   0.0000   0.0000  196.089   8.1107  196.089   8.1107 -0.000000 0.000000 
1 1 1   21    0   33 o   96.441   8.4796   64.585   10.885   64.585   10.885   0.0000   0.0000   96.441   8.4796   96.441   8.4796 -0.000000 0.000000 
1 1 1   21    0   34 o  221.606   6.1711  335.845   18.411  349.479   25.423  320.810   26.698  226.438   8.3104  216.773   9.1252 -0.000000 0.000000 
1 1 1   21    0   35 o  338.115   7.1596  778.587   32.708  770.293   45.187  787.714   47.405  336.255   9.9361  339.976   10.311 -0.000000 0.000000 
1 1 1   21    0   37 o  174.363   6.0109  206.581   14.055  195.324   18.776  220.926   21.197  169.006   8.2430  179.720   8.7507 -0.000000 0.000000 
1 1 1   21    0   38 o  340.129   7.2156  788.623   33.167  787.657   46.038  789.665   47.823  339.950   10.013  340.307   10.392 -0.000000 0.000000 
1 1 1   21    0   39 o  361.513   7.4708  890.360   36.494  873.549   50.336  908.988   52.986  357.946   10.397  365.079   10.731 -0.000000 0.000000 
1 1 1   21    0   40 o  355.519   7.4240  858.980   35.620  817.426   48.463  907.799   52.529  346.209   10.351  364.829   10.645 -0.000000 0.000000 
1 1 1   21    0   41 o  352.491   7.4217  846.592   35.341  828.065   48.649  867.294   51.427  348.440   10.324  356.542   10.665 -0.000000 0.000000 
1 1 1   21    0   42 o  316.352   10.337  683.071   44.209   0.0000   0.0000  683.071   44.209  316.352   10.337  316.352   10.337 -0.000000 0.000000 
1 1 1   21    0   43 o   46.482   17.381   19.857   10.208   19.857   10.208   0.0000   0.0000   46.482   17.381   46.482   17.381 -0.000000 0.000000 
1 1 1   21    0   44 o   45.541   11.858   19.752   7.2206   23.884   9.4364   13.914   11.215   53.972   14.918   37.110   18.436 -0.000000 0.000000 
1 1 1   21    0   45 o  110.963   10.173   85.875   15.001   0.0000   0.0000   85.875   15.001  110.963   10.173  110.963   10.173 -0.000000 0.000000 
1 1 1   21    0   46 o   47.081   17.976   20.586   10.811   0.0000   0.0000   20.586   10.811   47.081   17.976   47.081   17.976 -0.000000 0.000000 
1 1 1   21    0   47 o  124.407   6.5714  106.373   10.901   97.687   14.752  116.822   16.180  118.754   9.2978  130.059   9.2890 -0.000000 0.000000 
1 1 1   21    0   48 o  259.596   6.6355  459.367   23.233  443.238   31.739  477.986   34.100  254.717   9.2225  264.476   9.5427 -0.000000 0.000000 
1 1 1   21    0   49 o  267.037   6.7464  487.521   24.309  489.589   33.546  485.235   35.274  267.700   9.2724  266.374   9.8020 -0.000000 0.000000 
1 1 1   21    0   50 o  122.775   6.8989  103.257   11.226   93.842   14.809  115.979   17.214  116.221   9.5512  129.329   9.9576 -0.000000 0.000000 
1 1 1   21    0   51 o  133.060   6.7124  122.014   11.893  118.501   15.890  126.489   17.932  130.982   9.0515  135.138   9.9144 -0.000000 0.000000 
1 1 1   21    0   52 o  122.612   9.1708  104.152   15.042  104.152   15.042   0.0000   0.0000  122.612   9.1708  122.612   9.1708 -0.000000 0.000000 
1 1 1   21    0   53 o  178.710   6.4999  219.455   15.556  219.009   20.913  220.008   23.277  178.640   8.6856  178.779   9.6724 -0.000000 0.000000 
1 1 1   21    0   54 o  132.643   6.6270  121.993   11.715  123.244   15.855  120.489   17.386  133.561   8.8494  131.726   9.8669 -0.000000 0.000000 
1 1 1   21    0   55 o  138.486   6.6789  133.762   12.281  141.820   16.640  124.122   18.200  143.409   8.6343  133.564   10.192 -0.000000 0.000000 
1 1 1   21    0   56 o  106.515   7.4435   80.717   10.299   85.331   13.712   74.744   15.600  110.588   9.3015  102.441   11.624 -0.000000 0.000000 
1 1 1   21    0   57 o   27.129   11.355   5.7942   7.0516   5.0663   9.0339   6.9293   11.281   25.405   15.080   28.853   16.980 -0.000000 0.000000 
1 1 1   21    0   58 o  103.547   7.8214   78.042   10.254   88.381   13.706   64.897   15.454  112.543   9.1246   94.551   12.706 -0.000000 0.000000 
1 1 1   21    0   59 o  198.182   6.5644  269.203   17.468  251.432   23.428  291.451   26.213  190.891   9.1038  205.474   9.4596 -0.000000 0.000000 
1 1 1   21    0   60 o  184.561   6.6699  236.764   16.489  248.083   22.550  223.756   24.174  189.602   8.8200  179.521   10.008 -0.000000 0.000000 
1 1 1   21    0   61 o   83.882   8.4701   51.519   8.9627   51.343   11.932   51.746   13.578   84.206   10.971   83.559   12.907 -0.000000 0.000000 
1 1 1   21    0   62 o  110.863   7.2705   86.613   10.653   83.229   14.258   90.889   16.027  108.547   9.8814  113.179   10.668 -0.000000 0.000000 
1 1 1   21    0   63 o  115.268   11.030   94.677   16.867   0.0000   0.0000   94.677   16.867  115.268   11.030  115.268   11.030 -0.000000 0.000000 
1 1 1   21    0   64 o  182.161   6.8147  231.893   16.670  238.796   23.003  224.257   24.194  185.268   9.2140  179.055   10.043 -0.000000 0.000000 
1 1 1   21    0   65 o  194.990   6.6856  266.074   17.504  280.634   24.227  250.175   25.317  200.922   8.9384  189.059   9.9447 -0.000000 0.000000 
1 1 1   21    0   66 o   61.950   11.599   32.190   8.3485   31.324   11.052   33.340   12.740   61.707   15.270   62.194   17.463 -0.000000 0.000000 
1 1 1   21    0   67 o   32.580   12.238   11.381   7.2484   10.447   9.6654   12.581   10.957   31.218   16.702   33.942   17.893 -0.000000 0.000000 
1 1 1   21    0   68 o   93.403   10.705   63.418   13.089   63.418   13.089   0.0000   0.0000   93.403   10.705   93.403   10.705 -0.000000 0.000000 
1 1 1   21    0   69 o  196.119   9.1883  269.682   24.298  269.682   24.298   0.0000   0.0000  196.119   9.1883  196.119   9.1883 -0.000000 0.000000 
1 1 1   21    0   70 o  130.515   7.1517  120.857   12.400  115.332   16.513  128.000   18.775  127.324   9.7000  133.706   10.512 -0.000000 0.000000 
1 1 1   21    0   71 o   70.794   10.977   41.593   9.0256   46.098   12.103   35.951   13.547   77.842   12.422   63.746   18.102 -0.000000 0.000000 
1 1 1   21    0   72 f   72.690   10.898   42.584   9.2808   32.800   12.506   54.576   13.846   60.796   17.503   84.585   12.990 -0.000000 0.000000 
1 1 1   21    0   73 o   38.722   13.129   16.938   8.0532   18.652   10.885   14.865   11.970   41.543   18.370   35.900   18.762 -0.000000 0.000000 
1 1 1   21    0   74 o   29.306   11.794   8.4408   7.7849   13.615   10.723   2.6751   11.320   34.456   17.826   24.156   15.446 -0.000000 0.000000 
1 1 1   21    0   75 o   24.766   10.939   3.7278   7.6613  -0.0428   10.764   7.5991   10.907   21.813   14.349   27.719   16.516 -0.000000 0.000000 
1 1 1   21    0   76 o   75.195   11.406   47.475   10.130   52.030   14.110   42.630   14.552   80.884   14.175   69.506   17.874 -0.000000 0.000000 
1 1 1   21    0   77 o   29.702   12.172   8.4094   8.5160   15.834   12.298   1.5692   11.804   35.992   18.960   23.412   15.269 -0.000000 0.000000 
1 1 1   21    0   78 o   44.236   20.117   23.164   13.059   0.0000   0.0000   23.164   13.059   44.236   20.117   44.236   20.117 -0.000000 0.000000 
1 1 1   21    0   79 o   41.320   13.163   19.891   8.8605   11.400   12.487   28.502   12.575   30.700   17.960   51.941   19.247 -0.000000 0.000000 
1 1 1   21    0   80 f   27.163   11.373   3.4582   8.4387   17.266   12.204  -9.1909   11.681   36.481   18.978   17.845   12.537 -0.000000 0.000000 
1 1 1   21    0   81 o   50.756   14.577   30.438   9.8928   28.556   14.236   32.195   13.758   47.859   21.005   53.652   20.217 -0.000000 0.000000 
1 1 1   21    1    0 f  492.772   6.3351  1646.89   42.303  1643.95   59.950  1649.79   59.703  492.334   8.9855  493.211   8.9326 -0.8763428 12.67011 
1 1 1   21    1    1 o  480.166   6.2016  1563.62   40.351  1567.85   57.368  1559.47   56.768  480.807   8.8047  479.525   8.7359 1.282349 12.40318 
1 1 1   21    1    2 o  397.704   7.7493  1072.50   41.764   0.0000   0.0000  1072.50   41.764  ?   ?   397.704   7.7493      ?      ? 
1 1 1   21    1    3 o  631.933   7.6135  2708.81   65.185  2756.71   93.381  2663.28   91.034  637.376   10.811  626.489   10.723 10.88708 15.22702 
1 1 1   21    1    4 o  825.733   9.5343  4630.82  106.686  4602.27  150.488  4659.66  151.267  823.174   13.490  828.292   13.477 -5.117859 19.06856 
1 1 1   21    1    5 o  655.446   7.8328  2915.00   69.562  2956.55   99.408  2875.14   97.375  660.018   11.114  650.874   11.040 9.143250 15.66557 
1 1 1   21    1    6 o  479.294   7.2132  1581.15   40.836  1512.92   79.952  1605.23   47.498  472.027   12.499  486.562   7.2037 -14.53482 14.42646 
1 1 1   21    1    7 o  461.264   7.0367  1471.96   38.419  1385.16   74.648  1503.24   44.810  451.672   12.196  470.855   7.0226 -19.18375 14.07332 
1 1 1   21    1    8 o  580.183   8.2508  2305.22   56.458  2244.48  111.278  2326.28   65.516  574.710   14.288  585.657   8.2551 -10.94696 16.50155 
1 1 1   21    1    9 o  700.119   9.5701  3331.70   78.617  3327.32  157.147  3333.17   90.795  699.336   16.582  700.902   9.5593 -1.566833 19.14010 
1 1 1   21    1   10 o  691.097   8.1944  3242.89   76.743  3235.42  108.402  3250.39  108.661  690.300   11.588  691.895   11.589 -1.594910 16.38885 
1 1 1   21    1   11 o  322.109   4.9144  703.005   21.442  676.781   29.881  730.841   30.787  315.920   6.9797  328.297   6.9201 -12.37735 9.828740 
1 1 1   21    1   12 o  486.299   6.2486  1604.22   41.175  1581.95   57.806  1627.16   58.665  482.875   8.8340  489.724   8.8398 -6.849762 12.49726 
1 1 1   21    1   13 o  759.866   8.8862  3921.18   91.477  4013.12  131.275  3834.40  127.542  768.513   12.605  751.219   12.529 17.29395 17.77231 
1 1 1   21    1   14 o  649.018   9.5768  2886.69   79.788  2791.69  135.644  2936.95   98.663  640.418   15.630  657.617   11.071 -17.19855 19.15367 
1 1 1   21    1   15 o  250.916   5.4892  424.800   17.490  433.667   30.812  420.586   21.243  252.786   8.9948  249.046   6.2945 3.739899 10.97844 
1 1 1   21    1   16 o  577.610   8.7345  2284.99   64.696  2214.07  110.283  2322.21   79.886  570.416   14.267  584.804   10.080 -14.38837 17.46890 
1 1 1   21    1   17 o  571.242   8.6630  2233.00   63.416  2173.05  108.373  2264.22   78.203  565.054   14.153  577.430   9.9941 -12.37622 17.32599 
1 1 1   21    1   18 o  513.831   6.4981  1791.54   45.235  1747.01   63.109  1838.58   64.871  507.270   9.1805  520.392   9.1990 -13.12262 12.99628 
1 1 1   21    1   19 o  558.149   6.9258  2115.92   52.384  2118.25   74.151  2113.60   74.015  558.455   9.7982  557.843   9.7909 0.6121826 13.85157 
1 1 1   21    1   20 o  435.152   5.7981  1285.19   34.189  1270.65   48.048  1300.10   48.658  432.659   8.1950  437.645   8.2045 -4.985901 11.59617 
1 1 1   21    1   21 o  441.563   5.8688  1323.69   35.117  1329.61   49.724  1317.80   49.603  442.549   8.2913  440.577   8.3082 1.972351 11.73761 
1 1 1   21    1   22 o  545.141   6.7881  2019.10   50.145  2005.50   70.649  2032.92   71.187  543.290   9.5960  546.991   9.6036 -3.700806 13.57619 
1 1 1   21    1   23 o  418.333   8.0036  1188.19   45.372  1188.19   45.372   0.0000   0.0000  418.333   8.0036  ?   ?       ?      ? 
1 1 1   21    1   24 f  203.010   4.2091  279.405   11.573  292.556   16.577  266.899   16.166  207.669   5.8904  198.350   6.0142 9.319839 8.418217 
1 1 1   21    1   25 o  419.832   5.6624  1196.96   32.214  1187.98   45.363  1206.09   45.756  418.245   8.0036  421.420   8.0121 -3.174713 11.32482 
1 1 1   21    1   26 o  402.375   5.5270  1099.37   30.134  1085.67   42.276  1113.52   42.965  399.829   7.8026  404.920   7.8300 -5.091461 11.05393 
1 1 1   21    1   27 o  226.095   5.1398  349.099   15.041  354.019   18.755  340.230   25.182  228.413   6.0591  223.777   8.3041 4.635788 10.27964 
1 1 1   21    1   28 o  286.328   6.5566  556.494   25.441  556.494   25.441   0.0000   0.0000  286.328   6.5566  ?   ?       ?      ? 
1 1 1   21    1   29 o  388.013   6.7187  1022.65   33.013  1019.95   40.075  1028.35   58.231  387.489   7.6319  388.537   11.060 -1.048065 13.43731 
1 1 1   21    1   30 o  219.299   4.3101  325.436   12.786  301.131   17.583  352.716   18.628  210.631   6.1601  227.967   6.0298 -17.33655 8.620099 
1 1 1   21    1   31 o  234.489   4.3654  373.135   13.869  364.297   19.435  382.306   19.798  231.659   6.1910  237.318   6.1561 -5.659409 8.730759 
1 1 1   21    1   32 o  360.583   5.1956  883.388   25.388  883.852   35.875  882.924   35.932  360.679   7.3398  360.488   7.3555 0.1915588 10.39119 
1 1 1   21    1   33 o  268.396   6.4694  489.182   23.530   0.0000   0.0000  489.182   23.530  ?   ?   268.396   6.4694      ?      ? 
1 1 1   21    1   34 o  134.833   4.1980  123.473   7.6663  128.095   10.835  118.838   10.849  137.366   5.8204  132.300   6.0512 5.066238 8.396071 
1 1 1   21    1   35 o  243.288   4.4348  401.980   14.620  407.783   20.683  396.186   20.668  245.046   6.2285  241.529   6.3147 3.517303 8.869629 
1 1 1   21    1   36 o  295.169   5.8521  605.455   22.311  548.548   36.742  638.692   28.080  283.743   9.5556  306.595   6.7585 -22.85205 11.70414 
1 1 1   21    1   37 o  248.829   5.3875  416.199   17.223  436.281   29.819  406.146   21.098  253.142   8.6925  244.515   6.3672 8.627533 10.77501 
1 1 1   21    1   38 o  199.523   5.4875  276.110   13.821  286.149   16.905  255.879   23.999  205.252   6.0780  193.793   9.1384 11.45845 10.97508 
1 1 1   21    1   39 o  317.867   7.0228  689.206   30.226  687.208   41.868  691.380   43.681  317.429   9.7331  318.306   10.127 -0.8765564 14.04570 
1 1 1   21    1   40 o  184.875   4.3197  232.189   10.820  225.788   15.225  238.721   15.379  182.297   6.1631  187.454   6.0542 -5.157257 8.639308 
1 1 1   21    1   41 o  324.211   5.0070  713.400   21.974  759.478   31.872  671.654   30.336  334.176   7.0380  314.246   7.1238 19.92926 10.01410 
1 1 1   21    1   42 o  244.805   5.6629  408.514   17.572  406.907   30.862  409.285   21.375  244.232   9.3249  245.379   6.4281 -1.147156 11.32583 
1 1 1   21    1   43 o   94.201   6.2602   57.801   7.4471   67.961   13.656   53.501   8.8844   99.738   10.104   88.663   7.3943 11.07458 12.52043 
1 1 1   21    1   44 o  129.610   4.5175  114.412   7.9146  123.603   11.185  105.195   11.201  134.851   6.1208  124.370   6.6458 10.48116 9.034956 
1 1 1   21    1   45 o  203.457   4.4238  281.440   12.197  280.154   17.228  282.732   17.270  202.991   6.2631  203.924   6.2494 -0.9332581 8.847678 
1 1 1   21    1   46 o  186.520   6.1615  237.565   15.552  233.082   22.467  241.691   21.550  184.790   8.9720  188.250   8.4475 -3.460205 12.32307 
1 1 1   21    1   47 o  220.898   4.5261  331.492   13.538  313.797   18.791  350.588   19.520  214.769   6.4565  227.026   6.3449 -12.25702 9.052244 
1 1 1   21    1   48 o  243.582   4.6326  403.328   15.282  390.487   21.160  417.328   22.094  239.540   6.5186  247.624   6.5841 -8.084747 9.265130 
1 1 1   21    1   49 o  181.995   6.2308  225.389   15.367  225.389   15.367   0.0000   0.0000  181.995   6.2308  ?   ?       ?      ? 
1 1 1   21    1   50 o  167.727   5.5702  183.230   11.697  170.352   13.863  215.055   21.792  158.167   6.4676  177.287   9.0708 -19.11963 11.14041 
1 1 1   21    1   51 o  206.310   4.5150  289.793   12.618  279.289   17.655  300.762   18.042  202.481   6.4342  210.138   6.3357 -7.657089 9.029941 
1 1 1   21    1   52 o  231.541   4.5770  365.423   14.361  365.106   20.289  365.741   20.331  231.442   6.4689  231.641   6.4768 -0.1994781 9.153987 
1 1 1   21    1   53 o  127.124   4.6641  110.241   8.0326  106.721   11.308  113.825   11.412  125.066   6.6723  129.182   6.5189 -4.116013 9.328244 
1 1 1   21    1   54 o   98.234   5.1665   65.951   6.8632   71.926   9.8443   60.300   9.5735  102.588   7.0812   93.879   7.5252 8.708221 10.33306 
1 1 1   21    1   55 o  212.948   5.5136  308.952   15.112  316.761   25.910  304.926   18.605  214.603   8.9094  211.293   6.4976 3.310333 11.02711 
1 1 1   21    1   56 o  155.787   4.6282  165.919   9.7703  166.348   13.884  165.497   13.752  155.982   6.5683  155.592   6.5222 0.3895264 9.256375 
1 1 1   21    1   57 o  118.674   4.8585   96.284   7.7864   85.659   10.771  107.916   11.269  111.783   7.1103  125.564   6.6230 -13.78156 9.717008 
1 1 1   21    1   58 f  187.539   4.5454  240.776   11.545  252.134   16.468  229.796   16.190  191.917   6.3319  183.161   6.5229 8.755951 9.090740 
1 1 1   21    1   59 o  155.030   4.5785  164.796   9.6187  163.663   13.612  165.926   13.594  154.490   6.5017  155.570   6.4482 -1.079971 9.157055 
1 1 1   21    1   60 o  119.563   6.2447  101.854   9.3014   92.205   16.378  106.448   11.301  114.664   10.540  124.463   6.7001 -9.799217 12.48946 
1 1 1   21    1   61 o   52.177   9.1684   21.431   6.4597   13.738   11.643   24.851   7.7642   44.744   15.616   59.610   9.6116 -14.86615 18.33679 
1 1 1   21    1   62 o   44.152   8.2415   14.368   5.2252   19.864   7.3569   8.7722   7.4227   52.128   10.771   36.176   12.477 15.95184 16.48302 
1 1 1   21    1   63 o   87.019   5.6135   52.700   6.6140   55.202   9.3619   50.207   9.3453   89.135   7.7506   84.903   8.1224 4.231178 11.22698 
1 1 1   21    1   64 o  130.654   4.8348  118.204   8.5581  119.365   12.008  117.004   12.201  131.344   6.7463  129.965   6.9275 1.378967 9.669666 
1 1 1   21    1   65 o   76.033   7.9984   44.222   7.2360   47.907   8.8318   36.697   12.621   82.786   7.8725   69.281   13.925 13.50424 15.99671 
1 1 1   21    1   66 o   52.868   10.965   20.831   7.5983   20.831   7.5983   0.0000   0.0000   52.868   10.965  ?   ?       ?      ? 
1 1 1   21    1   67 o   42.446   8.6331   13.671   5.2845   15.944   7.4362   11.351   7.5112   45.766   11.884   39.126   12.525 6.639641 17.26627 
1 1 1   21    1   68 o   77.318   6.1911   42.514   6.4516   37.119   9.0062   48.200   9.2463   72.080   9.2203   82.557   8.2648 -10.47712 12.38227 
1 1 1   21    1   69 o   98.243   5.4984   68.251   7.2967   73.532   10.249   62.823   10.391  102.293   7.3935   94.194   8.1403 8.098869 10.99675 
1 1 1   21    1   70 o   66.273   7.0062   31.852   6.2915   31.219   8.8648   32.494   8.9306   65.581   9.9749   66.966   9.8410 -1.385765 14.01231 
1 1 1   21    1   71 o   64.392   8.7181   31.157   7.1689   33.911   12.018   29.636   8.9321   65.172   14.023   63.611   10.362 1.561588 17.43629 
1 1 1   21    1   72 o   34.929   8.6701   7.8997   5.5072   13.573   7.7043   1.9716   7.8752   41.684   12.584   28.174   11.930 13.50982 17.34020 
1 1 1   21    1   73 o   48.714   8.7765   18.734   5.8854   14.746   8.1848   23.004   8.4689   43.096   12.961   54.333   11.837 -11.23728 17.55297 
1 1 1   21    1   74 o   80.591   6.3477   47.194   6.9038   42.035   9.6514   52.599   9.8794   75.822   9.3931   85.361   8.5407 -9.538315 12.69543 
1 1 1   21    1   75 o   39.444   10.149   12.063   6.8776   10.389   12.017   12.878   8.3872   38.730   15.364   40.158   13.263 -1.427834 20.29706 
1 1 1   21    1   76 o   34.199   9.6704   7.2906   6.5245   7.0725   11.398   7.3969   7.9573   35.285   14.604   33.113   12.681 2.172482 19.34089 
1 1 1   21    1   77 o   46.197   9.3797   17.956   6.1992   19.919   8.9117   16.115   8.6290   48.660   13.186   43.733   13.343 4.927067 18.75937 
1 1 1   21    1   78 o   48.145   9.3251   20.019   6.4934   14.161   9.2968   25.599   9.0733   40.670   13.967   55.620   12.359 -14.95001 18.65010 
1 1 1   21    1   79 o   44.512   9.5315   17.578   6.4366   13.135   9.3324   21.609   8.8891   39.003   13.947   50.021   12.996 -11.01824 19.06297 
1 1 1   21    1   80 o   53.065   13.533   25.180   9.7620   25.180   9.7620   0.0000   0.0000   53.065   13.533  ?   ?       ?      ? 
1 1 1   21    1   81 o   26.072   8.3318  -0.0679   6.2753  -0.3193   9.1368   0.1565   8.6337   26.195   11.884   25.948   11.681 0.2474384 16.66360 
1 1 1   21    2    0 o  545.841   8.3339  2025.19   58.328  2031.41   71.761  2013.09  100.128  547.230   9.6769  544.452   13.571 2.777771 16.66780 
1 1 1   21    2    1 o  493.815   7.7326  1647.05   48.831  1631.67   59.730  1678.05   84.795  490.476   8.9865  497.154   12.586 -6.677673 15.46511 
1 1 1   21    2    2 o  447.919   5.9249  1359.61   35.946  1393.97   51.818  1327.74   49.908  453.367   8.4343  442.470   8.3234 10.89642 11.84974 
1 1 1   21    2    3 o  555.673   6.8853  2094.79   51.845  2072.88   73.223  2116.81   73.418  552.756   9.7754  558.590   9.6989 -5.833252 13.77053 
1 1 1   21    2    4 o  525.346   7.6696  1864.23   47.075  1890.31   95.079  1855.76   54.182  527.558   13.299  523.133   7.6430 4.424133 15.33914 
1 1 1   21    2    5 o  750.257   10.171  3815.62   89.300  3843.10  179.579  3806.59  102.929  751.510   17.633  749.004   10.141 2.506287 20.34145 
1 1 1   21    2    6 o  827.742   11.078  4665.55  107.614  4644.04  214.853  4672.76  124.334  825.752   19.200  829.731   11.058 -3.979919 22.15693 
1 1 1   21    2    7 o  458.507   6.9775  1429.65   37.472  1420.04   75.017  1432.85   43.255  457.315   12.105  459.699   6.9436 -2.383484 13.95497 
1 1 1   21    2    8 o  363.568   6.0440  896.414   25.680  896.963   51.682  896.234   29.592  363.542   10.491  363.595   6.0058 -0.5288696E-01 12.08810 
1 1 1   21    2    9 o  612.766   8.6165  2557.04   61.983  2535.92  123.598  2564.13   71.643  610.716   14.934  614.815   8.5990 -4.098755 17.23306 
1 1 1   21    2   10 o  478.001   7.1542  1550.23   39.993  1551.64   80.398  1549.76   46.101  477.946   12.413  478.056   7.1162 -0.1095886 14.30834 
1 1 1   21    2   11 o  408.245   6.4181  1109.04   30.378  1173.08   62.697  1089.40   34.726  415.655   11.131  400.836   6.3930 14.81894 12.83616 
1 1 1   21    2   12 o  609.938   7.4129  2525.55   61.270  2540.74   86.971  2510.58   86.330  611.758   10.491  608.119   10.476 3.639343 14.82574 
1 1 1   21    2   13 o  526.298   8.1510  1887.83   54.912  1861.89   94.391  1901.10   67.512  523.339   13.310  529.257   9.4131 -5.918213 16.30192 
1 1 1   21    2   14 o  336.338   6.1571  770.652   26.464  758.498   45.625  776.814   32.486  334.247   10.073  338.429   7.0836 -4.182159 12.31427 
1 1 1   21    2   15 o  356.448   6.3175  859.861   28.720  869.573   50.049  855.093   35.068  357.845   10.321  355.050   7.2886 2.794861 12.63503 
1 1 1   21    2   16 o  492.923   12.643  1652.12   84.450  1652.12   84.450   0.0000   0.0000  492.923   12.643  ?   ?       ?      ? 
1 1 1   21    2   17 o  394.477   6.6861  1060.16   33.763  1045.60   58.036  1067.61   41.510  392.285   10.917  396.669   7.7221 -4.383972 13.37229 
1 1 1   21    2   18 o  372.707   5.2794  942.512   26.665  942.172   37.719  942.852   37.701  372.639   7.4694  372.774   7.4632 -0.1347961 10.55889 
1 1 1   21    2   19 o  229.609   6.1249  357.568   19.058  357.568   19.058   0.0000   0.0000  229.609   6.1249  ?   ?       ?      ? 
1 1 1   21    2   20 o  194.829   4.8758  255.540   12.421  250.141   15.556  265.037   20.633  192.044   5.9774  197.614   7.7047 -5.570129 9.751551 
1 1 1   21    2   21 f  404.804   6.6627  1100.04   34.552  1073.80   42.200  1153.39   60.183  397.733   7.8295  411.876   10.783 -14.14255 13.32544 
1 1 1   21    2   22 o  469.353   7.3516  1470.60   43.924  1421.33   53.197  1576.14   77.861  457.477   8.5810  481.228   11.939 -23.75122 14.70320 
1 1 1   21    2   23 o  502.775   6.4049  1716.55   43.627  1759.66   62.553  1675.73   60.878  508.915   9.0702  496.634   9.0456 12.28143 12.80986 
1 1 1   21    2   24 o  500.060   6.3917  1698.16   43.300  1747.44   62.127  1651.60   60.381  507.111   9.0406  493.009   9.0378 14.10211 12.78333 
1 1 1   21    2   25 o  424.349   5.7060  1223.04   32.812  1219.87   46.296  1226.24   46.512  423.798   8.0612  424.900   8.0779 -1.102051 11.41207 
1 1 1   21    2   26 o  142.987   4.1178  138.735   7.9752  133.398   11.247  144.133   11.310  140.217   5.9191  145.756   5.7262 -5.538864 8.235627 
1 1 1   21    2   27 o  168.640   4.1253  192.935   9.4267  189.851   13.241  196.105   13.423  167.274   5.8414  170.007   5.8266 -2.733261 8.250524 
1 1 1   21    2   28 o  116.452   4.2202   92.034   6.6591   93.529   9.4125   90.536   9.4223  117.400   5.9163  115.504   6.0197 1.896652 8.440388 
1 1 1   21    2   29 o  295.867   4.7323  594.318   18.973  593.955   26.734  594.687   26.932  295.778   6.6698  295.956   6.7152 -0.1783142 9.464666 
1 1 1   21    2   30 o  313.960   4.8518  669.222   20.639  686.454   29.410  652.501   28.971  317.945   6.8259  309.975   6.8968 7.969696 9.703526 
1 1 1   21    2   31 o  218.160   4.3033  322.157   12.699  296.552   17.486  350.729   18.471  209.009   6.1737  227.312   5.9964 -18.30370 8.606509 
1 1 1   21    2   32 o  354.263   5.1546  852.617   24.743  870.421   35.178  835.184   34.810  357.928   7.2525  350.599   7.3267 7.329529 10.30922 
1 1 1   21    2   33 o  260.545   9.4648  462.199   33.418   0.0000   0.0000  462.199   33.418  ?   ?   260.545   9.4648      ?      ? 
1 1 1   21    2   34 o  232.094   5.5448  367.645   16.138  369.939   19.470  362.608   28.848  233.411   6.1555  230.777   9.2244 2.633362 11.08961 
1 1 1   21    2   35 o  200.124   6.1240  273.597   16.536  286.909   22.720  258.603   24.113  205.369   8.1638  194.879   9.1306 10.49014 12.24808 
1 1 1   21    2   36 f  175.803   4.2100  209.802   10.028  205.445   14.030  214.353   14.339  173.938   5.9523  177.668   5.9555 -3.730530 8.420067 
1 1 1   21    2   37 o  391.615   5.4920  1042.63   29.137  1074.60   41.745  1012.26   40.689  397.468   7.7503  385.761   7.7834 11.70712 10.98403 
1 1 1   21    2   38 o  302.206   5.9559  622.708   22.990  618.993   39.760  624.574   28.178  301.284   9.7383  303.127   6.8596 -1.842651 11.91176 
1 1 1   21    2   39 o  185.869   5.2839  234.173   12.531  237.468   21.828  232.553   15.304  186.719   8.6268  185.018   6.1038 1.700897 10.56776 
1 1 1   21    2   40 o  275.478   5.6482  512.223   20.005  530.416   34.482  502.992   24.561  278.938   9.1221  272.018   6.6629 6.920532 11.29634 
1 1 1   21    2   41 o  307.085   5.9987  655.087   23.778  598.862   39.314  687.518   29.858  296.211   9.7939  317.959   6.9295 -21.74704 11.99747 
1 1 1   21    2   42 o  247.552   4.5445  416.082   15.235  395.986   21.160  437.713   21.953  241.348   6.4697  253.756   6.3840 -12.40874 9.089076 
1 1 1   21    2   43 o  179.202   4.3725  218.275   10.610  230.078   15.106  206.783   14.905  183.995   6.0584  174.410   6.3064 9.584869 8.744993 
1 1 1   21    2   44 o  220.356   4.4413  330.020   13.260  324.699   18.552  335.576   18.960  218.543   6.2644  222.169   6.2974 -3.626358 8.882583 
1 1 1   21    2   45 o  285.143   5.7819  560.409   21.301  575.763   26.606  532.997   35.549  290.914   6.7490  279.372   9.3900 11.54150 11.56376 
1 1 1   21    2   46 o  211.842   5.2174  296.467   14.242  277.762   17.369  334.858   24.883  202.089   6.3422  221.595   8.2862 -19.50635 10.43475 
1 1 1   21    2   47 o  144.815   4.4510  142.333   8.7134  128.937   12.041  157.061   12.625  137.663   6.4544  151.967   6.1307 -14.30437 8.901900 
1 1 1   21    2   48 o  184.963   4.4160  232.714   11.067  229.781   15.503  235.762   15.805  183.778   6.2250  186.149   6.2654 -2.371597 8.832063 
1 1 1   21    2   49 o  123.670   5.9388  107.427   9.2760   95.874   15.905  113.383   11.419  118.293   9.9215  129.047   6.5299 -10.75378 11.87756 
1 1 1   21    2   50 o  172.513   6.2209  203.747   14.512  200.615   21.139  206.540   19.957  171.199   9.1117  173.827   8.4721 -2.628693 12.44187 
1 1 1   21    2   51 o   93.981   5.3802   61.154   6.7297   73.276   9.4324   48.586   9.6044  103.680   6.7134   84.281   8.4093 19.39895 10.76038 
1 1 1   21    2   52 o  113.411   6.3949   89.800   8.8650   92.057   10.556   84.400   16.331  116.176   6.7048  110.645   10.892 5.531006 12.78982 
1 1 1   21    2   53 o  168.062   5.7862  191.895   12.030  189.660   14.305  197.292   22.234  166.766   6.3300  169.357   9.6878 -2.591339 11.57248 
1 1 1   21    2   54 o   65.586   6.3385   29.571   5.6316   30.296   7.9417   28.838   7.9871   66.409   8.8249   64.763   9.1009 1.646126 12.67693 
1 1 1   21    2   55 o  157.655   4.5599  169.660   9.7359  161.542   13.584  178.234   13.961  153.766   6.5190  161.544   6.3775 -7.777695 9.119750 
1 1 1   21    2   56 o   58.145   7.3032   23.773   5.6374   24.810   8.0681   22.783   7.8803   59.872   9.9440   56.417   10.699 3.454842 14.60643 
1 1 1   21    2   57 o   68.522   8.8227   34.429   7.0012   31.729   13.525   35.418   8.1828   65.352   15.505   71.692   8.4227 -6.339554 17.64546 
1 1 1   21    2   58 o  110.035   7.0330   83.115   10.487   0.0000   0.0000   83.115   10.487  ?   ?   110.035   7.0330      ?      ? 
1 1 1   21    2   59 o  157.343   4.5957  169.869   9.7899  160.723   13.784  179.178   13.907  153.024   6.6472  161.662   6.3479 -8.638107 9.191333 
1 1 1   21    2   60 f   72.395   6.1193   36.425   5.9898   33.656   8.4691   39.196   8.4726   69.572   8.9829   75.218   8.3121 -5.646118 12.23865 
1 1 1   21    2   61 o  168.337   4.6162  194.898   10.523  185.190   14.758  204.939   15.009  164.030   6.6393  172.644   6.4153 -8.613861 9.232386 
1 1 1   21    2   62 o  193.244   4.6618  257.375   12.208  259.299   17.296  255.466   17.233  193.970   6.5802  192.519   6.6054 1.451569 9.323621 
1 1 1   21    2   63 o  179.762   8.8896  226.489   21.655   0.0000   0.0000  226.489   21.655  ?   ?   179.762   8.8896      ?      ? 
1 1 1   21    2   64 o   96.332   5.3830   64.955   6.9695   74.116   9.8419   55.740   9.8708  103.374   7.0256   89.289   8.1578 14.08501 10.76609 
1 1 1   21    2   65 o   93.708   5.5008   61.160   6.9478   52.934   9.5438   70.436   10.134   86.905   8.1039  100.511   7.4404 -13.60616 11.00150 
1 1 1   21    2   66 f   67.726   6.9722   33.560   6.0443   24.430   8.4584   43.086   8.6404   57.171   11.318   78.280   8.1452 -21.10878 13.94435 
1 1 1   21    2   67 o  102.538   5.2563   73.629   7.3014   76.225   10.405   71.110   10.249  104.352   7.3577  100.724   7.5085 3.628281 10.51252 
1 1 1   21    2   68 o   49.614   9.8855   18.810   6.5820   17.755   7.9405   21.128   11.767   48.034   12.181   51.193   15.573 -3.158882 19.77109 
1 1 1   21    2   69 o   42.260   9.9418   10.274   6.4405   5.0558   7.6195   23.334   12.053   31.115   12.269   53.406   15.647 -22.29111 19.88351 
1 1 1   21    2   70 o   33.299   8.7340   7.0873   5.2659   8.7409   7.6287   5.5823   7.2779   35.351   12.613   31.247   12.085 4.104698 17.46794 
1 1 1   21    2   71 o   70.776   6.5569   36.179   6.2867   35.640   8.9556   36.702   8.8274   70.189   9.4154   71.363   9.1280 -1.173515 13.11377 
1 1 1   21    2   72 o   99.510   5.5483   70.405   7.4725   65.954   10.482   75.004   10.655   96.195   8.0411  102.826   7.6469 -6.630615 11.09663 
1 1 1   21    2   73 f   77.684   8.9990   43.713   9.4735   0.0000   0.0000   43.713   9.4735  ?   ?    77.684   8.9990      ?      ? 
1 1 1   21    2   74 o   67.455   7.4241   34.395   6.5875   31.229   9.4907   37.337   9.1508   63.536   11.444   71.373   9.4610 -7.837437 14.84826 
1 1 1   21    2   75 o   76.082   6.7209   42.586   6.8027   53.469   9.9441   33.012   9.3266   85.793   8.5532   66.372   10.370 19.42190 13.44184 
1 1 1   21    2   76 o   39.979   9.4228   12.951   5.9907   14.420   8.6740   11.612   8.2836   41.761   13.470   38.196   13.181 3.564445 18.84552 
1 1 1   21    2   77 o   78.013   8.1975   46.650   8.4651   42.857   10.725   52.916   13.785   74.786   10.583   81.241   12.522 -6.454933 16.39494 
1 1 1   21    2   78 o   43.648   10.419   17.424   7.6318   20.991   9.6950   11.613   12.375   48.847   13.953   38.450   15.477 10.39689 20.83759 
1 1 1   21    2   79 f   46.048   9.5257   18.926   6.6298   12.775   9.5175   24.724   9.2406   38.474   14.039   53.623   12.878 -15.14902 19.05150 
1 1 1   21    2   80 o   42.974   9.8996   17.070   6.6143   17.520   9.4903   16.644   9.2235   43.431   14.097   42.518   13.902 0.9126549 19.79921 
1 1 1   21    3    0 o  658.214   7.8777  2940.44   70.263  2935.35   99.787  2945.45   98.953  657.644   11.197  658.785   11.084 -1.141479 15.75535 
1 1 1   21    3    1 o  433.240   5.7937  1271.99   33.993  1298.05   49.128  1248.05   47.084  437.490   8.2866  428.990   8.0993 8.499634 11.58737 
1 1 1   21    3    2 o  477.474   8.6547  1546.32   55.999   0.0000   0.0000  1546.32   55.999  ?   ?   477.474   8.6547      ?      ? 
1 1 1   21    3    3 o  514.060   7.5988  1810.87   45.852  1758.37   90.967  1828.76   53.089  508.807   13.193  519.313   7.5438 -10.50604 15.19761 
1 1 1   21    3    4 o  520.277   7.6459  1842.38   46.509  1826.72   93.315  1847.56   53.647  518.583   13.279  521.971   7.5843 -3.387390 15.29186 
1 1 1   21    3    5 o  582.144   8.2944  2300.22   56.420  2301.94  113.557  2299.66   65.013  581.995   14.398  582.293   8.2390 -0.2977905 16.58888 
1 1 1   21    3    6 o  271.658   5.3941  497.399   16.895  506.315   34.833  494.656   19.319  273.178   9.4094  270.137   5.2774 3.041016 10.78829 
1 1 1   21    3    7 o  585.183   8.2848  2271.31   55.818  2427.91  116.654  2224.81   63.568  597.643   14.404  572.722   8.1905 24.92072 16.56960 
1 1 1   21    3    8 o  691.521   10.151  3304.77   90.744  3063.90  150.215  3443.18  113.870  670.981   16.520  712.062   11.801 -41.08051 20.30227 
1 1 1   21    3    9 f  452.553   8.4343  1384.35   51.587  1259.82   70.412  1528.65   75.796  430.675   12.065  474.432   11.789 -43.75684 16.86852 
1 1 1   21    3   10 o  454.478   8.4246  1403.21   51.877  1386.92   73.764  1419.16   72.972  451.855   12.046  457.101   11.780 -5.246185 16.84920 
1 1 1   21    3   11 o  361.489   7.3149  884.966   35.780  926.380   52.387  848.756   48.985  369.388   10.465  353.590   10.223 15.79840 14.62989 
1 1 1   21    3   12 o  372.345   6.4412  937.000   30.246  951.484   53.913  930.348   36.538  374.329   10.628  370.361   7.2802 3.968109 12.88246 
1 1 1   21    3   13 o  355.692   6.2734  857.034   28.148  862.891   50.044  854.323   34.044  356.477   10.359  354.907   7.0786 1.569214 12.54686 
1 1 1   21    3   14 o  228.273   8.1083  353.569   25.082   0.0000   0.0000  353.569   25.082  ?   ?   228.273   8.1083      ?      ? 
1 1 1   21    3   15 f  529.930   6.6557  1906.32   47.793  1882.33   67.111  1931.00   68.077  526.549   9.4053  533.311   9.4198 -6.761963 13.31133 
1 1 1   21    3   16 o  535.335   9.4980  1945.97   68.904  1945.97   68.904   0.0000   0.0000  535.335   9.4980  ?   ?       ?      ? 
1 1 1   21    3   17 o  512.359   9.1981  1782.49   63.864  1782.49   63.864   0.0000   0.0000  512.359   9.1981  ?   ?       ?      ? 
1 1 1   21    3   18 o  134.477   4.1688  122.630   7.5924  123.086   10.938  122.206   10.548  134.716   5.9912  134.238   5.7983 0.4779205 8.337548 
1 1 1   21    3   19 o  244.783   4.4029  406.449   14.604  399.313   20.631  413.616   20.675  242.627   6.2747  246.938   6.1783 -4.311340 8.805856 
1 1 1   21    3   20 o  245.653   6.2305  409.355   20.741  409.355   20.741   0.0000   0.0000  245.653   6.2305  ?   ?       ?      ? 
1 1 1   21    3   21 o  318.238   6.9017  687.245   29.764   0.0000   0.0000  687.245   29.764  ?   ?   318.238   6.9017      ?      ? 
1 1 1   21    3   22 o  266.089   6.2465  479.971   22.486  497.854   32.969  464.416   30.748  270.701   8.9874  261.476   8.6777 9.225006 12.49297 
1 1 1   21    3   23 o  337.661   6.1579  781.115   26.657  754.165   45.423  795.273   32.922  333.030   10.065  342.292   7.0976 -9.261902 12.31577 
1 1 1   21    3   24 o  425.286   6.9837  1206.37   37.602  1295.63   67.392  1166.02   45.312  436.235   11.400  414.336   8.0700 21.89929 13.96731 
1 1 1   21    3   25 o  467.844   6.1090  1487.27   38.730  1475.51   54.516  1499.25   55.031  465.978   8.6333  469.710   8.6457 -3.731903 12.21809 
1 1 1   21    3   27 o  202.929   4.2351  279.441   11.646  277.346   16.411  281.568   16.529  202.163   5.9904  203.696   5.9882 -1.533066 8.470160 
1 1 1   21    3   28 o  246.392   4.4328  411.962   14.798  424.131   21.101  400.187   20.758  249.974   6.2291  242.811   6.3085 7.163895 8.865581 
1 1 1   21    3   29 o  304.044   4.7844  627.721   19.712  632.600   27.878  622.842   27.876  305.228   6.7400  302.860   6.7921 2.368256 9.568719 
1 1 1   21    3   30 o  208.724   5.5370  303.103   14.397  314.876   17.431  277.838   25.536  215.383   5.9721  202.065   9.3257 13.31856 11.07401 
1 1 1   21    3   31 o  210.177   6.2578  302.011   17.728  331.781   24.779  270.793   25.373  220.894   8.2777  199.461   9.3872 21.43283 12.51559 
1 1 1   21    3   32 o  262.978   4.5458  469.591   16.199  465.611   22.767  473.672   23.054  261.850   6.4159  264.105   6.4415 -2.254333 9.091625 
1 1 1   21    3   33 o  293.436   5.8164  587.929   21.857  578.611   37.511  592.719   26.894  291.483   9.4965  295.389   6.7185 -3.906342 11.63280 
1 1 1   21    3   34 o  204.455   5.3743  292.790   14.038  256.782   23.422  312.975   17.537  194.220   8.8993  214.691   6.0277 -20.47108 10.74851 
1 1 1   21    3   35 o  211.451   4.3167  303.701   12.365  313.729   17.511  293.729   17.462  214.940   6.0117  207.962   6.1962 6.978317 8.633309 
1 1 1   21    3   36 o  228.003   4.3836  352.781   13.538  342.196   18.798  364.188   19.513  224.454   6.1801  231.551   6.2186 -7.096817 8.767284 
1 1 1   21    3   37 o  229.814   5.7029  366.299   16.274  377.318   19.608  341.912   29.172  235.683   6.1395  223.944   9.6126 11.73920 11.40590 
1 1 1   21    3   38 o  278.209   9.8293  527.977   37.057   0.0000   0.0000  527.977   37.057  ?   ?   278.209   9.8293      ?      ? 
1 1 1   21    3   39 o  320.129   4.9606  696.620   21.512  724.852   30.717  669.446   30.135  326.504   6.9423  313.754   7.0877 12.74982 9.921239 
1 1 1   21    3   40 o  360.956   5.2697  885.740   25.760  930.510   36.985  843.556   35.901  369.822   7.3799  352.090   7.5244 17.73166 10.53938 
1 1 1   21    3   41 o  303.289   5.7726  604.833   22.286  566.821   26.836  689.294   40.003  288.700   6.8595  317.879   9.2864 -29.17892 11.54511 
1 1 1   21    3   42 f  141.624   5.0850  133.507   9.3787  126.327   11.605  147.025   15.924  136.325   6.2818  146.923   7.9979 -10.59843 10.16999 
1 1 1   21    3   43 o  162.685   5.3003  182.717   11.137  171.512   18.535  189.048   13.932  158.602   8.6238  166.768   6.1647 -8.165588 10.60062 
1 1 1   21    3   44 o  180.837   5.1586  213.317   12.022  252.444   21.169  194.692   14.605  192.465   8.1164  169.209   6.3695 23.25555 10.31730 
1 1 1   21    3   45 o  181.574   4.3759  224.194   10.765  225.182   15.100  223.173   15.351  181.988   6.1230  181.161   6.2531 0.8269196 8.751738 
1 1 1   21    3   46 o  269.023   4.7110  492.094   17.158  523.503   24.618  462.424   23.927  277.384   6.5492  260.662   6.7737 16.72104 9.422032 
1 1 1   21    3   47 o  246.773   4.5960  414.418   15.368  414.566   21.602  414.267   21.869  246.824   6.4583  246.722   6.5410 0.1024933 9.192087 
1 1 1   21    3   48 o  130.931   4.5656  116.695   8.1000  117.212   11.402  116.168   11.509  131.228   6.4116  130.634   6.5014 0.5939636 9.131122 
1 1 1   21    3   49 o   77.916   5.6574   41.457   5.9718   40.494   8.4643   42.412   8.4266   77.006   8.1111   78.825   7.8887 -1.818748 11.31471 
1 1 1   21    3   50 o  184.687   4.4788  232.304   11.209  230.813   15.792  233.818   15.912  184.090   6.3304  185.283   6.3375 -1.193314 8.957527 
1 1 1   21    3   51 o  218.040   4.5692  323.921   13.487  344.373   19.275  304.303   18.878  224.807   6.3272  211.273   6.5937 13.53453 9.138391 
1 1 1   21    3   52 o  194.400   4.5366  257.383   11.938  240.958   16.594  275.005   17.188  187.960   6.5148  200.840   6.3152 -12.88052 9.073275 
1 1 1   21    3   53 o   61.316   8.9406   28.779   7.6751   9.1912   11.179   46.246   10.556   40.647   15.148   81.985   9.5015 -41.33760 17.88116 
1 1 1   21    3   54 o   99.667   6.4759   68.755   8.2723   67.146   14.126   69.595   10.205   98.515   10.581  100.819   7.4697 -2.303879 12.95187 
1 1 1   21    3   55 o  206.740   6.0584  302.085   15.492  315.167   18.699  273.449   27.665  214.754   6.4252  198.727   10.273 16.02704 12.11681 
1 1 1   21    3   56 o  168.223   4.5822  192.956   10.416  173.438   14.327  214.838   15.169  159.189   6.6412  177.258   6.3150 -18.06857 9.164323 
1 1 1   21    3   57 o  125.254   4.8147  107.496   8.1668  113.137   11.680  102.100   11.423  128.489   6.7082  122.020   6.9083 6.469742 9.629391 
1 1 1   21    3   58 o  205.992   4.6058  290.924   12.857  292.160   18.195  289.692   18.170  206.432   6.5043  205.551   6.5230 0.8805542 9.211690 
1 1 1   21    3   59 o   62.647   7.1008   28.001   5.8200   23.527   8.2633   32.406   8.1985   56.962   11.104   68.332   8.8538 -11.37008 14.20167 
1 1 1   21    3   60 o   86.947   7.4208   53.320   8.6943   51.286   12.837   55.043   11.817   85.218   11.116   88.676   9.8338 -3.458115 14.84167 
1 1 1   21    3   61 o   77.121   7.2341   42.059   7.1446   41.324   12.206   42.442   8.8118   76.110   11.835   78.131   8.3226 -2.020302 14.46816 
1 1 1   21    3   62 o   83.741   5.6905   48.769   6.4560   47.382   9.0268   50.223   9.2372   82.515   8.0727   84.967   8.0225 -2.451843 11.38108 
1 1 1   21    3   63 o   86.550   5.6511   52.278   6.6133   48.134   9.3127   56.493   9.3932   82.997   8.2800   90.103   7.6929 -7.105904 11.30222 
1 1 1   21    3   64 o   88.822   5.5788   55.239   6.6551   46.361   9.2914   64.593   9.5370   81.284   8.4352   96.360   7.3036 -15.07633 11.15769 
1 1 1   21    3   65 o   47.123   8.1238   16.611   5.2707   22.500   7.6341   11.248   7.2858   55.176   10.595   39.070   12.318 16.10555 16.24763 
1 1 1   21    3   66 o   67.627   6.8634   33.660   5.9158   24.275   8.3631   43.059   8.3692   56.958   11.234   78.296   7.8879 -21.33871 13.72681 
1 1 1   21    3   67 o   66.601   6.5155   31.746   5.8336   27.117   8.1856   36.523   8.3157   61.418   9.8350   71.784   8.5485 -10.36625 13.03092 
1 1 1   21    3   68 o   78.146   5.9531   43.336   6.2944   46.501   8.9831   40.282   8.8223   81.049   8.1789   75.244   8.6522 5.805473 11.90612 
1 1 1   21    3   69 o   80.946   6.0410   46.673   6.5120   58.298   9.4748   36.265   8.9650   90.877   7.6936   71.015   9.3158 19.86224 12.08206 
1 1 1   21    3   70 o   42.812   10.768   13.933   7.8350   13.210   10.631   14.794   11.592   41.844   14.894   43.780   15.555 -1.936615 21.53560 
1 1 1   21    3   71 o   34.476   9.5836   6.9069   6.3014   6.6542   7.7411   7.4032   10.849   32.790   12.519   36.162   14.514 -3.371944 19.16713 
1 1 1   21    3   72 o   65.200   7.2072   31.573   6.1503   37.485   8.8811   26.125   8.5254   71.963   9.1070   58.437   11.173 13.52585 14.41437 
1 1 1   21    3   73 o   75.363   6.3998   41.134   6.5226   44.910   9.4740   37.732   8.9935   78.736   8.8792   71.989   9.2189 6.747223 12.79955 
1 1 1   21    3   74 o   47.603   8.7661   17.986   5.7464   21.905   8.4932   14.678   7.8038   52.454   12.182   42.752   12.609 9.702175 17.53213 
1 1 1   21    3   75 o   40.074   10.800   12.413   8.1334   12.004   11.960   12.765   11.094   39.861   15.471   40.288   15.075 -0.4275475 21.60101 
1 1 1   21    3   76 o   53.250   9.0091   23.455   6.4111   22.108   9.4540   24.602   8.7233   51.255   13.444   55.244   11.996 -3.989403 18.01816 
1 1 1   21    3   77 o   24.118   7.7299  -2.9157   5.6264  -7.6734   8.1199   1.4785   7.8035   21.403   10.189   26.834   11.627 -5.430191 15.45983 
1 1 1   21    3   78 o   44.198   9.5458   17.132   6.3168   14.532   9.0850   19.565   8.7891   40.855   13.810   47.540   13.183 -6.684860 19.09169 
1 1 1   21    3   79 o   36.892   9.0617   9.9407   6.1698   19.274   9.1025   2.0085   8.3917   46.333   13.604   27.451   11.974 18.88216 18.12334 
1 1 1   21    3   80 o   64.097   8.4490   34.601   7.1739   32.278   10.200   36.875   10.092   60.828   12.780   67.366   11.055 -6.538609 16.89794 
1 1 1   21    4    0 o  697.655   10.099  3310.59   90.548  3317.54  111.659  3297.25  154.747  699.045   11.787  696.265   16.401 2.780579 20.19700 
1 1 1   21    4    1 o  691.614   10.125  3229.65   88.968  3310.64  156.686  3191.11  108.082  697.626   16.574  685.602   11.633 12.02380 20.24905 
1 1 1   21    4    2 o  666.620   9.8208  3022.98   83.562  3009.33  144.803  3029.80  102.318  665.171   16.064  668.069   11.302 -2.898254 19.64160 
1 1 1   21    4    3 o  501.185   7.4756  1710.54   43.711  1693.62   87.947  1716.08   50.373  499.318   12.998  503.052   7.3892 -3.734558 14.95115 
1 1 1   21    4    4 o  489.745   7.3517  1634.43   41.965  1615.03   84.512  1640.78   48.346  487.597   12.790  491.892   7.2529 -4.295868 14.70341 
1 1 1   21    4    5 o  791.289   10.670  4246.06   98.491  4281.63  199.037  4234.52  113.340  792.745   18.528  789.832   10.589 2.913208 21.34017 
1 1 1   21    4    6 o  710.163   9.7932  3477.70   82.159  3326.30  160.752  3531.23   95.586  698.984   16.971  721.343   9.7784 -22.35901 19.58650 
1 1 1   21    4    7 o  437.957   6.7963  1295.21   34.462  1314.18   70.552  1289.27   39.494  439.872   11.836  436.042   6.6838 3.830322 13.59260 
1 1 1   21    4    8 f  197.635   4.9479  257.905   11.067  277.656   23.748  252.425   12.508  202.295   8.6630  192.975   4.7832 9.319794 9.895794 
1 1 1   21    4    9 o  342.912   5.8979  787.188   23.268  817.882   48.359  777.941   26.543  347.088   10.281  338.736   5.7824 8.352325 11.79587 
1 1 1   21    4   10 o  638.229   8.8992  2728.18   65.717  2846.38  135.549  2691.86   75.138  646.630   15.469  629.827   8.8035 16.80322 17.79846 
1 1 1   21    4   11 o  789.795   10.661  4278.43   99.110  4180.76  196.007  4311.98  114.877  782.774   18.478  796.818   10.639 -14.04388 21.32176 
1 1 1   21    4   12 o  581.628   8.8579  2349.25   66.680  2123.13  109.245  2483.52   84.179  558.522   14.434  604.734   10.272 -46.21210 17.71572 
1 1 1   21    4   13 o  416.203   6.5267  1157.51   31.374  1211.42   64.944  1141.10   35.832  422.219   11.351  410.186   6.4463 12.03351 13.05346 
1 1 1   21    4   14 o  584.410   8.3126  2335.03   56.925  2295.18  113.545  2348.40   65.790  580.575   14.432  588.245   8.2532 -7.670471 16.62527 
1 1 1   21    4   15 o  586.414   8.3655  2372.22   57.847  2268.84  113.485  2408.50   67.239  577.139   14.510  595.689   8.3295 -18.54956 16.73099 
1 1 1   21    4   16 o  560.182   8.5281  2120.89   60.726  2173.45  106.835  2095.80   73.809  564.912   13.956  555.452   9.8057 9.460449 17.05611 
1 1 1   21    4   17 o  347.860   5.0898  821.083   23.993  823.529   33.964  818.646   33.899  348.377   7.1942  347.342   7.2020 1.034882 10.17963 
1 1 1   21    4   18 o  274.940   4.5817  512.745   17.069  506.010   23.972  519.672   24.310  273.108   6.4773  276.771   6.4817 -3.662079 9.163408 
1 1 1   21    4   19 o  311.838   10.163  661.000   42.946   0.0000   0.0000  661.000   42.946  ?   ?   311.838   10.163      ?      ? 
1 1 1   21    4   20 o  153.271   5.4409  153.132   10.160  145.598   11.853  174.011   19.731  146.503   5.9702  160.039   9.0979 -13.53505 10.88187 
1 1 1   21    4   21 o  277.655   5.8532  521.627   20.273  518.600   24.282  528.592   36.838  276.456   6.4814  278.853   9.7484 -2.396515 11.70639 
1 1 1   21    4   22 o  441.646   5.8593  1324.89   35.067  1331.04   49.612  1318.74   49.572  442.673   8.2704  440.619   8.3021 2.053680 11.71850 
1 1 1   21    4   23 o  310.537   4.8251  653.450   20.288  621.661   28.054  688.297   29.373  302.632   6.8408  318.442   6.8067 -15.80957 9.650267 
1 1 1   21    4   24 o  473.917   6.1505  1525.52   39.489  1571.52   56.603  1481.89   55.117  480.875   8.6861  466.958   8.7102 13.91757 12.30105 
1 1 1   21    4   25 o  428.966   8.1656  1250.27   47.467   0.0000   0.0000  1250.27   47.467  ?   ?   428.966   8.1656      ?      ? 
1 1 1   21    4   26 o  335.823   6.3279  765.496   26.680  763.331   32.144  770.291   47.832  335.279   7.0748  336.366   10.494 -1.086304 12.65575 
1 1 1   21    4   27 o  282.796   9.8486  544.273   37.742   0.0000   0.0000  544.273   37.742  ?   ?   282.796   9.8486      ?      ? 
1 1 1   21    4   28 o  188.637   5.9664  241.516   15.252   0.0000   0.0000  241.516   15.252  ?   ?   188.637   5.9664      ?      ? 
1 1 1   21    4   29 o  337.367   7.1432  773.149   32.657   0.0000   0.0000  773.149   32.657  ?   ?   337.367   7.1432      ?      ? 
1 1 1   21    4   30 f  167.205   4.1796  189.936   9.4531  204.049   13.416  176.020   13.322  173.389   5.7098  161.021   6.1052 12.36819 8.359127 
1 1 1   21    4   31 f  224.855   4.3478  343.319   13.232  365.544   18.848  321.716   18.582  232.043   5.9940  217.666   6.2996 14.37700 8.695550 
1 1 1   21    4   32 o  187.719   4.2473  239.331   10.774  263.380   15.402  216.285   15.077  196.971   5.7700  178.467   6.2342 18.50488 8.494639 
1 1 1   21    4   33 o  281.175   4.6668  536.679   17.766  569.940   25.472  505.172   24.791  289.664   6.4890  272.686   6.7089 16.97836 9.333632 
1 1 1   21    4   34 o  254.180   4.5071  438.376   15.515  424.663   21.495  453.294   22.419  250.037   6.3437  258.323   6.4042 -8.285187 9.014215 
1 1 1   21    4   35 o  234.294   4.4179  372.981   14.022  378.225   19.677  367.570   19.988  235.977   6.1533  232.611   6.3411 3.365219 8.835828 
1 1 1   21    4   36 o  189.335   5.0150  245.740   12.288  250.774   15.346  236.745   20.513  192.158   5.8934  186.511   8.1159 5.647079 10.02991 
1 1 1   21    4   37 o  183.951   4.9172  224.685   11.720  212.705   14.410  248.094   20.144  176.956   6.0094  190.947   7.7848 -13.99110 9.834402 
1 1 1   21    4   38 o  306.139   5.8428  645.159   23.078  661.993   28.768  614.765   38.655  312.047   6.8031  300.231   9.5010 11.81580 11.68552 
1 1 1   21    4   39 o  378.611   5.4039  975.296   27.718  1008.05   39.522  943.591   38.884  384.879   7.5776  372.342   7.7063 12.53622 10.80770 
1 1 1   21    4   40 o  259.823   5.8921  462.020   19.020  465.268   22.787  454.559   34.537  261.621   6.4272  258.026   9.8772 3.595001 11.78426 
1 1 1   21    4   41 o  229.087   5.7420  353.976   16.222  349.095   19.231  366.021   30.207  226.623   6.2619  231.550   9.6266 -4.927383 11.48403 
1 1 1   21    4   42 o  168.073   4.3199  192.057   9.8324  193.520   13.687  190.496   14.134  168.745   5.9854  167.400   6.2306 1.344803 8.639765 
1 1 1   21    4   43 o  175.044   4.3337  208.033   10.273  200.561   14.228  216.173   14.850  171.766   6.1124  178.323   6.1450 -6.557098 8.667335 
1 1 1   21    4   44 f  104.835   4.7552   74.486   6.7163   63.909   9.2114   86.491   9.8137   96.901   7.0149  112.769   6.4219 -15.86854 9.510438 
1 1 1   21    4   45 o  136.205   4.4647  126.010   8.2350  121.274   11.392  131.193   11.917  133.530   6.2959  138.880   6.3322 -5.350372 8.929453 
1 1 1   21    4   46 o  159.164   5.3974  172.330   11.072  173.788   18.864  171.564   13.676  159.531   8.7257  158.796   6.3554 0.7353821 10.79487 
1 1 1   21    4   47 o  180.908   5.4419  225.933   12.643  214.363   21.356  232.176   15.688  177.102   8.8983  184.714   6.2672 -7.611984 10.88378 
1 1 1   21    4   48 o  101.785   4.9114   70.598   6.7743   70.266   9.5987   70.928   9.5621  101.544   6.9755  102.027   6.9160 -0.4826202 9.822890 
1 1 1   21    4   49 o  199.651   4.4790  271.398   12.109  286.337   17.280  256.985   16.972  205.066   6.2183  194.235   6.4481 10.83063 8.957952 
1 1 1   21    4   50 o  121.641   5.7396  101.077   8.9303  101.487   15.433  100.871   10.950  121.644   9.3621  121.639   6.6427 0.4089355E-02 11.47929 
1 1 1   21    4   51 o  108.662   5.9643   80.236   8.3336   82.902   14.345   78.878   10.239  109.835   9.6377  107.490   7.0290 2.345879 11.92860 
1 1 1   21    4   52 o  167.594   4.5196  191.644   10.263  195.831   14.511  187.453   14.516  169.439   6.3198  165.750   6.4627 3.689407 9.039133 
1 1 1   21    4   53 o  120.594   6.7494   99.366   11.030   0.0000   0.0000   99.366   11.030  ?   ?   120.594   6.7494      ?      ? 
1 1 1   21    4   54 o  123.099   4.7551  103.567   7.9248   97.489   11.081  109.930   11.338  119.383   6.8497  126.815   6.5974 -7.431961 9.510178 
1 1 1   21    4   55 o   80.685   5.6376   44.784   6.1558   47.254   8.6839   42.289   8.7276   82.958   7.7246   78.411   8.2136 4.546951 11.27527 
1 1 1   21    4   56 o  133.674   6.4268  123.046   11.601  129.318   17.290  117.910   15.646  136.686   9.3344  130.662   8.8364 6.024734 12.85355 
1 1 1   21    4   57 o  127.318   6.7278  111.189   11.608  111.189   11.608   0.0000   0.0000  127.318   6.7278  ?   ?       ?      ? 
1 1 1   21    4   58 o  114.575   6.5828   95.108   9.0999  100.524   10.859   82.337   16.676  121.005   6.6225  108.144   11.379 12.86178 13.16563 
1 1 1   21    4   59 o   95.646   5.2379   63.235   6.7628   69.885   9.5996   56.683   9.5288  100.732   7.0324   90.560   7.7646 10.17298 10.47586 
1 1 1   21    4   60 o  108.947   5.0024   81.895   7.3848   81.434   10.363   82.370   10.526  108.646   7.0390  109.249   7.1097 -0.6030045 10.00473 
1 1 1   21    4   61 o   75.211   6.2746   40.051   6.1296   54.673   8.8813   26.750   8.4705   88.858   7.3756   61.564   10.153 27.29330 12.54926 
1 1 1   21    4   62 o  122.016   6.1580  106.499   9.5197   97.459   16.283  111.194   11.734  117.232   10.250  126.800   6.8287 -9.567619 12.31609 
1 1 1   21    4   63 o  116.612   6.3249   98.933   9.3040   85.879   15.769  105.904   11.524  109.618   10.615  123.606   6.8797 -13.98735 12.64973 
1 1 1   21    4   64 o   99.564   5.3567   69.193   7.2062   76.335   10.332   62.427   10.056  104.677   7.2838   94.451   7.8564 10.22629 10.71334 
1 1 1   21    4   65 f  120.123   5.0231  100.738   8.1109   85.115   11.302  117.325   11.646  110.281   7.5629  129.965   6.6127 -19.68440 10.04613 
1 1 1   21    4   66 f  113.211   5.1044   89.655   7.8258   85.773   11.043   93.572   11.092  110.678   7.3625  115.744   7.0719 -5.066635 10.20880 
1 1 1   21    4   67 f  105.921   6.7754   85.063   8.8917   67.198   15.012   94.719   11.036   95.461   11.604  116.380   6.9976 -20.91888 13.55082 
1 1 1   21    4   68 o   65.806   9.0348   38.642   7.3020   19.040   12.510   48.771   8.9929   48.589   16.206   83.023   7.9932 -34.43441 18.06965 
1 1 1   21    4   69 f   44.239   8.6397   14.778   5.5926   21.421   8.2172   9.0461   7.6332   52.748   11.792   35.731   12.630 17.01732 17.27941 
1 1 1   21    4   70 o   63.446   7.1842   29.605   6.0216   33.411   8.8035   26.259   8.2547   67.880   9.5705   59.012   10.717 8.867901 14.36831 
1 1 1   21    4   71 o   82.981   6.0823   49.407   6.8243   53.843   9.7843   45.204   9.5229   86.755   8.3225   79.206   8.8721 7.548782 12.16467 
1 1 1   21    4   72 o   53.217   9.6594   21.840   6.8097   18.177   8.4899   28.447   11.403   47.657   12.852   58.777   14.424 -11.11998 19.31886 
1 1 1   21    4   73 o   58.050   11.659   26.303   8.8535   26.303   8.8535   0.0000   0.0000   58.050   11.659  ?   ?       ?      ? 
1 1 1   21    4   74 o   76.828   6.7114   43.233   6.9131   52.357   10.198   35.475   9.4037   84.664   8.8885   68.993   10.058 15.67123 13.42274 
1 1 1   21    4   75 o   57.952   8.3288   27.691   6.4036   17.260   9.3441   36.929   8.7932   45.201   13.902   70.703   9.1775 -25.50211 16.65766 
1 1 1   21    4   76 o   40.641   9.1946   13.673   6.1297   7.4263   9.0478   18.972   8.3335   33.556   13.325   47.725   12.673 -14.16916 18.38910 
1 1 1   21    4   77 o   29.719   9.3439   1.3610   6.6620   4.2504   13.186   0.3707   7.7197   33.727   14.853   25.711   11.341 8.015211 18.68779 
1 1 1   21    4   78 o   45.132   11.280   17.400   9.4091   32.192   14.226   5.8965   12.545   56.430   17.113   33.834   14.701 22.59678 22.56084 
1 1 1   21    4   79 o   40.679   11.380   15.374   9.3042   20.466   14.005   11.351   12.448   44.333   16.860   37.025   15.288 7.307693 22.75900 
1 1 1   21    5    0 o  582.081   7.1842  2299.46   56.668  2287.42   79.836  2311.69   80.449  580.547   10.148  583.616   10.172 -3.069275 14.36848 
1 1 1   21    5    1 o  531.497   8.3021  1935.25   56.396  1867.03   96.685  1970.43   69.431  524.128   13.613  538.867   9.5079 -14.73901 16.60426 
1 1 1   21    5    2 o  395.665   6.4360  1044.50   29.135  1095.40   61.174  1029.57   33.134  401.650   11.239  389.680   6.2746 11.97034 12.87205 
1 1 1   21    5    3 o  376.380   6.2417  939.917   26.785  1000.64   56.722  922.492   30.386  383.896   10.903  368.863   6.0788 15.03317 12.48337 
1 1 1   21    5    4 o  426.569   6.7750  1254.67   33.621  1196.38   67.277  1274.07   38.816  419.676   11.830  433.461   6.6081 -13.78503 13.55009 
1 1 1   21    5    5 f  412.063   6.5662  1135.59   31.029  1183.84   64.836  1121.26   35.339  417.486   11.460  406.641   6.4129 10.84534 13.13240 
1 1 1   21    5    6 o  578.169   8.2995  2281.87   56.019  2249.41  112.458  2292.58   64.604  575.031   14.432  581.307   8.2011 -6.275940 16.59910 
1 1 1   21    5    7 o  488.950   7.2866  1583.66   40.767  1697.72   86.018  1550.62   46.297  499.758   12.701  478.141   7.1451 21.61731 14.57311 
1 1 1   21    5    8 o  556.261   8.0581  2125.51   52.531  2055.68  104.336  2149.22   60.800  549.691   14.007  562.830   7.9716 -13.13916 16.11614 
1 1 1   21    5    9 o  702.561   9.6788  3347.43   79.298  3378.75  160.352  3337.29   91.235  704.009   16.808  701.113   9.6026 2.896362 19.35756 
1 1 1   21    5   10 o  611.209   8.6569  2553.85   61.948  2511.80  123.740  2567.92   71.562  607.308   15.035  615.110   8.5851 -7.801453 17.31388 
1 1 1   21    5   11 o  437.854   6.7888  1296.27   34.354  1312.52   70.471  1291.21   39.346  439.399   11.835  436.309   6.6546 3.089630 13.57760 
1 1 1   21    5   12 o  298.763   5.5757  607.265   19.019  602.857   39.516  608.594   21.697  297.932   9.7875  299.595   5.3442 -1.662933 11.15150 
1 1 1   21    5   13 o  437.524   6.7504  1273.94   33.868  1349.51   71.037  1251.70   38.529  445.484   11.767  429.564   6.6188 15.91968 13.50089 
1 1 1   21    5   14 o  292.031   5.4715  563.928   18.110  606.061   38.761  552.162   20.483  298.703   9.5757  285.359   5.2969 13.34457 10.94303 
1 1 1   21    5   15 f  313.650   5.6399  664.540   20.315  673.892   42.075  661.698   23.198  314.931   9.8589  312.368   5.4803 2.562988 11.27973 
1 1 1   21    5   16 o  352.303   5.9424  833.109   24.085  861.094   49.988  824.648   27.486  355.918   10.364  348.688   5.8169 7.229645 11.88489 
1 1 1   21    5   17 o  319.544   5.6550  683.031   20.737  712.531   43.292  674.248   23.623  323.788   9.8664  315.300   5.5288 8.487579 11.30991 
1 1 1   21    5   18 o  196.824   4.9452  263.108   10.982  262.560   23.232  263.265   12.462  196.604   8.7200  197.044   4.6669 -0.4402161 9.890318 
1 1 1   21    5   19 o  230.347   5.0348  357.226   13.244  365.585   27.716  354.753   15.077  231.971   8.8168  228.722   4.8644 3.248734 10.06968 
1 1 1   21    5   20 o  163.504   4.8866  183.887   10.337  173.022   17.156  190.079   12.953  159.617   7.9316  167.392   5.7101 -7.774536 9.773177 
1 1 1   21    5   21 o   90.365   5.3640   56.010   6.2650   53.547   10.467   57.386   7.8208   88.770   8.7009   91.960   6.2758 -3.190407 10.72801 
1 1 1   21    5   22 o  214.349   9.5244  312.432   27.666   0.0000   0.0000  312.432   27.666  ?   ?   214.349   9.5244      ?      ? 
1 1 1   21    5   23 o  227.975   6.1680  352.703   19.055   0.0000   0.0000  352.703   19.055  ?   ?   227.975   6.1680      ?      ? 
1 1 1   21    5   24 f  343.933   5.0671  803.314   23.615  810.741   33.353  795.847   33.442  345.532   7.1230  342.335   7.2087 3.197754 10.13419 
1 1 1   21    5   25 o  429.418   7.2975  1277.08   39.742  1319.98   48.780  1192.40   68.534  440.711   8.1679  418.124   12.095 22.58774 14.59492 
1 1 1   21    5   26 o  451.646   7.4668  1391.57   42.535  1395.38   51.526  1383.41   75.365  453.054   8.3925  450.238   12.352 2.816223 14.93357 
1 1 1   21    5   27 o  293.699   4.7233  585.241   18.790  568.463   26.101  603.293   27.073  289.335   6.6568  298.063   6.7025 -8.727722 9.446555 
1 1 1   21    5   28 o  330.225   4.9797  740.822   22.282  749.154   31.445  732.419   31.579  332.097   6.9872  328.354   7.0970 3.743256 9.959351 
1 1 1   21    5   29 o  317.977   4.9210  684.705   21.158  751.645   30.815  624.993   29.104  332.649   6.8358  303.304   7.0809 29.34525 9.842093 
1 1 1   21    5   30 o  161.695   4.1527  177.379   9.0956  173.628   12.642  181.404   13.096  159.926   5.8335  163.464   5.9118 -3.537857 8.305387 
1 1 1   21    5   31 o  155.360   4.8022  162.921   9.7717  159.941   12.276  168.076   16.145  153.484   5.9019  157.236   7.5770 -3.751663 9.604389 
1 1 1   21    5   32 o  211.196   5.9835  298.077   16.970  353.520   26.078  257.358   22.349  227.925   8.4432  194.467   8.4807 33.45805 11.96700 
1 1 1   21    5   33 o  130.772   4.9599  119.262   8.4236  128.468   10.748  104.601   13.563  137.552   5.7658  123.993   8.0721 13.55833 9.919887 
1 1 1   21    5   34 o  311.581   4.8799  659.885   20.600  661.116   28.851  658.605   29.424  311.888   6.8262  311.274   6.9755 0.6139221 9.759834 
1 1 1   21    5   35 o  286.835   4.7339  556.447   18.356  514.367   24.979  605.849   27.065  275.102   6.7004  298.567   6.6892 -23.46497 9.467881 
1 1 1   21    5   36 o  250.930   4.5268  427.983   15.387  432.273   21.534  423.507   21.996  252.227   6.3001  249.633   6.5022 2.593613 9.053682 
1 1 1   21    5   37 o  251.834   4.5776  431.119   15.594  465.705   22.248  397.721   21.863  261.788   6.2714  241.881   6.6698 19.90738 9.155154 
1 1 1   21    5   38 o  258.978   4.5894  455.175   16.092  438.868   22.187  473.274   23.374  254.098   6.4434  263.858   6.5370 -9.760025 9.178779 
1 1 1   21    5   39 o  212.217   4.3838  305.706   12.597  296.865   17.404  315.437   18.258  209.003   6.1448  215.430   6.2540 -6.426910 8.767637 
1 1 1   21    5   40 o  202.492   4.3939  277.496   12.028  253.809   16.442  304.767   17.642  193.230   6.2791  211.755   6.1481 -18.52541 8.787830 
1 1 1   21    5   41 o  232.616   4.4968  368.083   14.168  377.546   19.905  358.368   20.170  235.663   6.2330  229.569   6.4834 6.094269 8.993587 
1 1 1   21    5   42 o  265.018   4.6777  477.044   16.755  527.347   24.176  430.552   23.242  278.474   6.4063  251.562   6.8177 26.91212 9.355347 
1 1 1   21    5   43 o  215.098   5.7121  307.252   15.063  296.851   17.704  334.527   28.668  208.934   6.2527  221.263   9.5611 -12.32919 11.42417 
1 1 1   21    5   44 o  309.991   6.3723  668.253   24.675  688.613   29.879  624.589   43.757  318.050   6.9325  301.933   10.694 16.11685 12.74469 
1 1 1   21    5   45 o  185.917   4.4117  234.826   11.107  226.283   15.364  244.178   16.075  182.382   6.2165  189.451   6.2615 -7.068817 8.823356 
1 1 1   21    5   46 o  115.799   5.8757   95.421   8.6480   79.203   14.309  104.753   10.855  107.546   9.8184  124.053   6.4569 -16.50776 11.75132 
1 1 1   21    5   47 o  167.006   5.3860  189.414   11.617  193.162   19.758  187.433   14.362  168.093   8.6738  165.919   6.3877 2.174469 10.77206 
1 1 1   21    5   48 o   99.594   5.0788   68.230   6.7713   80.041   9.5511   56.295   9.6013  108.392   6.5024   90.795   7.8035 17.59761 10.15751 
1 1 1   21    5   49 o   68.782   7.9023   35.181   6.6208   27.155   11.031   39.700   8.2776   61.363   13.621   76.202   8.0159 -14.83943 15.80455 
1 1 1   21    5   50 o  175.256   4.4815  209.522   10.632  221.245   15.060  197.877   15.011  180.174   6.1683  170.338   6.5029 9.836044 8.962988 
1 1 1   21    5   51 o  214.779   4.5457  314.704   13.228  312.963   18.505  316.523   18.916  214.183   6.3756  215.374   6.4811 -1.190369 9.091377 
1 1 1   21    5   52 o  151.881   4.5359  157.635   9.3256  165.130   13.141  150.032   13.236  155.553   6.2340  148.210   6.5903 7.343735 9.071699 
1 1 1   21    5   53 o  128.851   5.3763  113.148   9.0372  111.373   11.301  116.297   15.051  127.654   6.5328  130.049   8.5406 -2.394547 10.75263 
1 1 1   21    5   54 o  128.457   4.7310  112.457   8.2183  104.475   11.216  121.708   12.076  123.554   6.6991  133.359   6.6821 -9.804718 9.461909 
1 1 1   21    5   55 o   51.330   7.6359   18.940   5.2469   14.249   7.4529   23.551   7.3878   44.331   12.078   58.330   9.3464 -13.99933 15.27183 
1 1 1   21    5   56 o  147.469   4.6319  149.033   9.2543  153.708   13.195  144.507   12.982  149.757   6.5020  145.181   6.5988 4.576309 9.263888 
1 1 1   21    5   57 o  130.384   4.6972  116.744   8.2899  109.756   11.663  123.880   11.786  126.396   6.8090  134.372   6.4724 -7.975357 9.394407 
1 1 1   21    5   58 f  121.059   4.7962  100.817   7.8524   92.635   10.998  109.327   11.216  115.989   6.9968  126.128   6.5618 -10.13924 9.592303 
1 1 1   21    5   59 o   95.970   6.4738   65.020   7.9060   62.127   13.586   66.501   9.7217   93.823   10.686   98.117   7.3116 -4.294548 12.94759 
1 1 1   21    5   60 f   76.842   8.7384   41.232   9.0994   41.232   9.0994   0.0000   0.0000   76.842   8.7384  ?   ?       ?      ? 
1 1 1   21    5   61 o   81.891   5.6810   46.771   6.2745   41.193   8.7797   52.594   8.9703   76.778   8.4384   87.003   7.6084 -10.22472 11.36192 
1 1 1   21    5   62 o  144.525   4.7990  144.599   9.3623  162.030   13.459  128.257   13.032  153.096   6.4873  135.954   7.0736 17.14192 9.597925 
1 1 1   21    5   63 o   60.552   7.2490   26.530   5.8052   26.678   8.5440   26.404   7.9119   60.132   10.886   60.972   9.5756 -0.8393021 14.49802 
1 1 1   21    5   64 o   37.961   9.1621   10.479   6.0030   2.1735   10.834   14.158   7.2112   32.661   13.918   43.260   11.919 -10.59935 18.32424 
1 1 1   21    5   65 o   72.952   8.9187   44.187   7.5262   30.213   13.380   50.654   9.1028   61.050   15.985   84.854   7.9162 -23.80442 17.83745 
1 1 1   21    5   66 o   64.493   6.9871   29.985   6.0916   27.506   8.5607   32.528   8.6700   61.645   10.248   67.341   9.5008 -5.695156 13.97428 
1 1 1   21    5   67 o  103.376   5.4442   75.598   7.5917   83.039   10.686   68.014   10.787  108.758   7.2504   97.993   8.1235 10.76488 10.88846 
1 1 1   21    5   68 o   97.442   5.6267   67.392   7.4129   62.751   10.530   71.951   10.437   93.938   8.2718  100.945   7.6300 -7.006966 11.25345 
1 1 1   21    5   69 o  119.847   9.6874  104.260   15.733   0.0000   0.0000  104.260   15.733  ?   ?   119.847   9.6874      ?      ? 
1 1 1   21    5   70 o   41.878   9.4487   14.006   6.1914   16.619   7.9148   9.8861   9.9389   45.942   12.417   37.814   14.245 8.128105 18.89744 
1 1 1   21    5   71 o   31.883   8.7088   6.1466   5.3410   5.4031   7.9201   6.7668   7.2332   31.437   12.472   32.330   12.158 -0.8930054 17.41763 
1 1 1   21    5   72 o   85.786   6.1146   52.972   7.0680   61.185   10.345   45.782   9.6793   92.220   8.2782   79.352   9.0012 12.86826 12.22910 
1 1 1   21    5   73 o   35.112   8.4725   8.2245   5.5298   0.1114   8.1069   15.284   7.5620   26.600   11.682   43.624   12.275 -17.02398 16.94496 
1 1 1   21    5   74 o   46.946   9.0596   17.465   6.1529   25.734   9.3070   11.045   8.2007   56.358   12.512   37.534   13.105 18.82355 18.11921 
1 1 1   21    5   75 o   75.871   10.479   48.328   10.495   64.863   15.879   35.500   13.986   89.454   13.099   62.287   16.359 27.16681 20.95703 
1 1 1   21    5   76 o   35.598   10.619   7.2544   8.9928   1.8740   13.373   11.696   12.150   32.613   14.622   38.584   15.404 -5.971130 21.23850 
1 1 1   21    5   77 o   38.284   10.994   9.7777   9.1825   20.342   14.098   1.9939   12.101   45.345   16.989   31.223   13.960 14.12192 21.98877 
1 1 1   21    5   78 o   50.191   16.440   25.639   12.895   0.0000   0.0000   25.639   12.895  ?   ?    50.191   16.440      ?      ? 
1 1 1   21    5   79 o   47.272   16.665   24.088   13.280   0.0000   0.0000   24.088   13.280  ?   ?    47.272   16.665      ?      ? 
1 1 1   21    6    0 o  258.333   4.5331  452.332   15.862  471.813   22.674  433.659   22.199  263.780   6.3431  252.885   6.4777 10.89450 9.066204 
1 1 1   21    6    1 o  755.428   8.8534  3878.56   90.633  3891.40  128.291  3865.76  128.058  756.678   12.511  754.178   12.530 2.500427 17.70689 
1 1 1   21    6    2 o  797.330   11.457  4348.71  116.839  4273.93  200.904  4386.92  143.625  791.424   18.733  803.237   13.195 -11.81384 22.91313 
1 1 1   21    6    3 o  690.404   9.5585  3244.82   77.036  3236.18  155.084  3247.65   88.761  689.129   16.607  691.679   9.4696 -2.549927 19.11691 
1 1 1   21    6    4 o  752.851   10.258  3846.83   89.989  3878.89  182.114  3836.47  103.509  754.060   17.822  751.641   10.162 2.419861 20.51564 
1 1 1   21    6    5 o  540.516   8.3819  1979.23   57.566  2004.36  101.072  1967.17   70.036  542.758   13.742  538.273   9.6014 4.484924 16.76374 
1 1 1   21    6    6 o  294.376   7.0957  588.781   28.285  615.710   40.030  561.931   39.972  301.116   9.8100  287.636   10.255 13.48029 14.19150 
1 1 1   21    6    7 o  350.211   7.5848  833.548   35.984  854.019   50.725  812.808   51.056  354.556   10.557  345.866   10.893 8.689819 15.16967 
1 1 1   21    6    8 o  399.005   8.0768  1078.49   43.592  1019.90   59.509  1146.33   64.036  387.361   11.337  410.650   11.507 -23.28888 16.15356 
1 1 1   21    6    9 f  133.964   6.8896  121.365   12.458  116.281   16.759  127.643   18.625  130.852   9.4514  137.077   10.027 -6.224319 13.77914 
1 1 1   21    6   10 o  270.954   10.029  498.780   36.826   0.0000   0.0000  498.780   36.826  ?   ?   270.954   10.029      ?      ? 
1 1 1   21    6   11 o  399.290   11.592  1084.30   62.722   0.0000   0.0000  1084.30   62.722  ?   ?   399.290   11.592      ?      ? 
1 1 1   21    6   12 o  300.712   10.288  614.591   41.926   0.0000   0.0000  614.591   41.926  ?   ?   300.712   10.288      ?      ? 
1 1 1   21    6   13 o  203.099   9.5966  280.271   26.413   0.0000   0.0000  280.271   26.413  ?   ?   203.099   9.5966      ?      ? 
1 1 1   21    6   14 o  376.451   11.221  964.039   57.242   0.0000   0.0000  964.039   57.242  ?   ?   376.451   11.221      ?      ? 
1 1 1   21    6   15 o  293.808   7.0585  587.219   28.084  605.750   39.455  568.188   39.984  298.532   9.7529  289.085   10.207 9.446899 14.11704 
1 1 1   21    6   16 o  218.571   6.6096  323.476   19.504  311.782   26.278  337.820   29.103  214.209   9.0524  222.933   9.6334 -8.723969 13.21923 
1 1 1   21    6   17 f  322.333   7.2835  706.926   31.779  749.702   45.140  664.892   44.747  332.035   10.032  312.630   10.562 19.40533 14.56710 
1 1 1   21    6   18 o  363.880   7.6822  900.571   37.849  888.428   52.309  913.915   54.834  361.334   10.683  366.427   11.043 -5.092987 15.36445 
1 1 1   21    6   19 o  241.995   6.6987  398.481   21.914  402.703   30.054  393.688   32.023  243.396   9.1117  240.594   9.8218 2.802628 13.39743 
1 1 1   21    6   20 o  164.838   6.5054  182.564   14.418  168.259   18.999  201.991   22.140  157.331   8.9112  172.345   9.4799 -15.01427 13.01073 
1 1 1   21    6   21 o  180.656   6.5380  223.657   15.879  247.305   21.996  197.920   22.947  190.755   8.5093  170.556   9.9285 20.19965 13.07605 
1 1 1   21    6   22 o  516.037   8.0331  1663.14   50.306  2162.58  100.837  1497.65   58.045  562.792   13.222  469.283   9.1274 93.50925 16.06624 
1 1 1   21    6   23 o  442.986   5.8919  1331.88   35.341  1284.08   48.803  1384.59   51.245  434.649   8.2857  451.323   8.3788 -16.67429 11.78377 
1 1 1   21    6   24 o  207.212   4.2150  291.446   11.832  292.600   16.553  290.240   16.919  207.636   5.8829  206.788   6.0377 0.8481750 8.429902 
1 1 1   21    6   25 o  202.194   4.8964  280.872   12.919  290.255   16.364  265.345   21.050  206.798   5.8391  197.589   7.8616 9.208649 9.792853 
1 1 1   21    6   26 o  135.910   4.5886  124.031   8.2394  119.439   10.453  131.567   13.390  132.653   5.8147  139.166   7.1001 -6.512665 9.177239 
1 1 1   21    6   27 o  182.383   4.7646  225.034   11.357  222.575   14.248  229.320   18.808  181.079   5.8062  183.687   7.5560 -2.607803 9.529174 
1 1 1   21    6   28 o  247.056   4.4369  414.429   14.849  412.751   20.716  416.202   21.296  246.548   6.2005  247.563   6.3480 -1.015503 8.873761 
1 1 1   21    6   29 o  125.026   4.1993  106.352   7.0955  114.946   10.009   97.668   10.061  130.126   5.6759  119.927   6.1905 10.19932 8.398699 
1 1 1   21    6   30 o  268.634   5.9399  492.930   19.649  495.596   23.378  486.513   36.264  270.117   6.3865  267.150   10.017 2.966736 11.87980 
1 1 1   21    6   31 o  162.583   4.1880  179.717   9.2155  186.338   12.885  172.784   13.186  165.663   5.7396  159.503   6.1003 6.160034 8.375921 
1 1 1   21    6   32 o  367.685   5.2920  919.278   26.358  954.422   37.502  884.968   37.054  374.646   7.3867  360.723   7.5802 13.92319 10.58409 
1 1 1   21    6   33 o  316.512   4.9181  679.361   21.066  649.070   28.896  713.725   30.777  309.008   6.9006  324.016   7.0094 -15.00848 9.836192 
1 1 1   21    6   34 o  323.029   4.9928  707.932   21.813  773.804   31.602  647.993   30.146  337.373   6.9124  308.686   7.2065 28.68716 9.985701 
1 1 1   21    6   35 o  150.946   5.1847  148.183   10.034  175.861   17.876  135.452   12.124  160.710   8.2080  141.182   6.3369 19.52753 10.36949 
1 1 1   21    6   36 o  298.868   4.8258  607.386   19.537  608.653   27.269  606.051   28.005  299.203   6.7255  298.533   6.9225 0.6704102 9.651593 
1 1 1   21    6   37 o  330.110   5.0537  740.821   22.584  789.575   32.368  694.575   31.525  340.711   7.0104  319.509   7.2809 21.20172 10.10732 
1 1 1   21    6   38 f  239.220   4.5246  386.791   14.625  353.827   19.852  425.910   21.627  228.136   6.4215  250.304   6.3759 -22.16788 9.049137 
1 1 1   21    6   39 o  131.952   4.4249  118.481   7.9030  121.524   11.005  115.240   11.356  133.716   6.0732  130.188   6.4371 3.527893 8.849852 
1 1 1   21    6   40 o  154.596   4.3242  162.559   9.0500  164.860   12.573  160.085   13.036  155.744   5.9574  153.447   6.2693 2.297394 8.648367 
1 1 1   21    6   41 o  219.876   4.4447  328.855   13.238  333.211   18.530  324.313   18.919  221.378   6.1766  218.375   6.3932 3.002655 8.889487 
1 1 1   21    6   42 o  102.120   5.6315   70.845   7.5564   72.068   12.342   70.111   9.5572  102.750   8.8637  101.490   6.9490 1.259613 11.26293 
1 1 1   21    6   43 o  304.669   5.9202  618.207   23.157  680.294   40.563  588.188   28.205  315.442   9.4890  293.895   7.0819 21.54718 11.84041 
1 1 1   21    6   44 o  165.726   4.4594  186.315   9.9997  174.717   13.720  199.459   14.605  160.240   6.3182  171.212   6.2949 -10.97267 8.918820 
1 1 1   21    6   45 o  161.958   4.4623  178.901   9.7732  188.594   13.663  168.746   13.985  166.488   6.0559  157.427   6.5556 9.060486 8.924667 
1 1 1   21    6   46 o   99.100   12.694   67.857   17.047   0.0000   0.0000   67.857   17.047  ?   ?    99.100   12.694      ?      ? 
1 1 1   21    6   47 o  244.812   6.0004  409.625   18.074  409.139   21.462  410.812   33.514  245.050   6.4629  244.574   10.112 0.4760895 12.00082 
1 1 1   21    6   48 o   71.920   5.7619   35.447   5.6040   37.734   7.8822   33.110   7.9691   74.296   7.8288   69.544   8.4561 4.752594 11.52376 
1 1 1   21    6   49 o  199.788   5.3414  278.680   13.790  294.088   17.373  252.443   22.671  207.708   6.1723  191.868   8.7193 15.84052 10.68288 
1 1 1   21    6   50 o  176.667   5.1739  209.495   11.872  200.210   14.669  227.126   20.214  171.304   6.3189  182.029   8.1944 -10.72549 10.34785 
1 1 1   21    6   51 o  216.546   5.4935  307.276   15.193  363.507   27.262  281.946   18.298  229.955   8.7484  203.137   6.6469 26.81750 10.98707 
1 1 1   21    6   52 o  173.642   5.4695  201.034   12.210  225.142   21.392  189.383   14.871  180.853   8.7285  166.430   6.5936 14.42264 10.93901 
1 1 1   21    6   53 o  132.445   4.6754  119.750   8.3654  107.132   11.546  133.692   12.137  125.079   6.8120  139.811   6.4059 -14.73206 9.350880 
1 1 1   21    6   54 o  144.731   4.5696  143.533   8.9470  153.819   12.698  133.392   12.609  149.933   6.2496  139.529   6.6684 10.40422 9.139177 
1 1 1   21    6   55 o   61.741   6.4211   26.423   5.3618   28.605   7.6530   24.319   7.5143   64.290   8.7843   59.192   9.3679 5.097553 12.84216 
1 1 1   21    6   56 o  126.449   4.7087  109.810   8.0685  110.111   11.389  109.507   11.432  126.628   6.6372  126.269   6.6811 0.3587723 9.417498 
1 1 1   21    6   57 f  145.951   4.6631  146.432   9.2223  148.700   13.111  144.210   12.975  147.074   6.5783  144.827   6.6110 2.247757 9.326280 
1 1 1   21    6   58 o  142.023   4.6945  138.839   9.0235  129.518   12.618  148.596   12.910  137.092   6.7917  146.953   6.4828 -9.860291 9.389045 
1 1 1   21    6   59 o  108.465   5.1242   81.082   7.4813   94.948   10.938   68.893   10.255  117.255   6.8837   99.676   7.5923 17.57885 10.24835 
1 1 1   21    6   60 o   98.914   5.3736   68.529   7.1316   58.579   10.194   78.067   9.9810   91.618   8.2105  106.210   6.9347 -14.59186 10.74715 
1 1 1   21    6   61 o  114.768   6.0127   92.475   8.8474   92.062   15.141   92.689   10.902  113.930   9.8071  115.607   6.9591 -1.676781 12.02535 
1 1 1   21    6   62 f   80.856   9.1583   47.356   9.6721   38.388   12.596   60.241   15.099   70.976   13.591   90.735   12.279 -19.75846 18.31650 
1 1 1   21    6   63 o   69.863   8.7646   35.976   8.0223   45.658   12.011   28.179   10.779   79.301   11.177   60.426   13.503 18.87493 17.52920 
1 1 1   21    6   64 o   75.938   6.0811   41.198   6.1640   48.949   8.7067   33.410   8.7278   83.492   7.6953   68.384   9.4182 15.10854 12.16225 
1 1 1   21    6   65 o  122.352   4.9329  104.650   8.1773  104.665   11.451  104.634   11.681  122.400   6.9039  122.305   7.0476 0.9542084E-01 9.865780 
1 1 1   21    6   66 o  101.567   7.4571   75.774   10.173   67.933   14.781   82.832   14.023   95.954   11.368  107.181   9.6546 -11.22758 14.91414 
1 1 1   21    6   67 o   49.591   10.563   20.012   7.6745   18.647   11.770   21.021   10.122   47.999   15.705   51.182   14.130 -3.183567 21.12603 
1 1 1   21    6   68 o   42.460   8.6276   13.775   5.4586   19.166   7.8305   8.6791   7.6133   49.746   11.795   35.173   12.595 14.57266 17.25528 
1 1 1   21    6   69 o   30.145   8.1199   3.9076   5.0577   10.029   7.1781  -2.1280   7.1275   36.646   12.276   23.644   10.632 13.00221 16.23972 
1 1 1   21    6   70 o   73.196   8.6710   41.658   7.6248   40.132   13.683   42.345   9.1826   69.826   14.914   76.566   8.8500 -6.740112 17.34194 
1 1 1   21    6   71 o   38.205   10.068   9.0355   6.6662   5.5110   8.0721   16.594   11.821   31.561   12.570   44.849   15.730 -13.28757 20.13512 
1 1 1   21    6   72 o   43.725   10.893   14.364   8.6727   24.705   12.599   5.0516   11.956   52.949   16.116   34.501   14.659 18.44733 21.78588 
1 1 1   21    6   73 o   40.648   11.136   12.862   8.7370   13.334   12.787   12.449   11.966   41.165   15.992   40.132   15.503 1.032761 22.27275 
1 1 1   21    6   74 o   50.489   11.930   23.918   9.5859   24.067   13.854   23.782   13.278   50.493   17.053   50.486   16.689 0.7236481E-02 23.86051 
1 1 1   21    6   75 o   54.798   16.462   28.506   13.209   0.0000   0.0000   28.506   13.209  ?   ?    54.798   16.462      ?      ? 
1 1 1   21    6   76 o   34.426   14.617   7.1123   11.872   0.0000   0.0000   7.1123   11.872  ?   ?    34.426   14.617      ?      ? 
1 1 1   21    6   77 o   39.986   15.810   14.695   12.686   0.0000   0.0000   14.695   12.686  ?   ?    39.986   15.810      ?      ? 
1 1 1   21    6   78 o   48.665   16.495   25.107   12.963   0.0000   0.0000   25.107   12.963  ?   ?    48.665   16.495      ?      ? 
1 1 1   21    7    0 o  492.724   6.3590  1648.11   42.460  1648.64   59.974  1647.58   60.120  492.805   8.9806  492.643   9.0054 0.1614990 12.71808 
1 1 1   21    7    1 o  360.196   7.3667  880.234   35.958  880.234   35.958   0.0000   0.0000  360.196   7.3667  ?   ?       ?      ? 
1 1 1   21    7    2 o  285.206   6.5737  551.740   25.407  551.740   25.407   0.0000   0.0000  285.206   6.5737  ?   ?       ?      ? 
1 1 1   21    7    3 o  626.037   8.8606  2663.64   64.572  2670.99  130.706  2661.26   74.268  625.972   15.408  626.102   8.7533 -0.1307983 17.72115 
1 1 1   21    7    4 o  399.232   8.1527  1083.57   44.096  1078.03   61.584  1089.39   63.168  398.200   11.413  400.264   11.646 -2.064484 16.30548 
1 1 1   21    7    5 o  328.039   7.4318  730.706   33.014  716.472   45.672  746.283   47.775  324.708   10.379  331.370   10.639 -6.662140 14.86356 
1 1 1   21    7    6 o  267.618   6.9787  486.916   25.287  496.431   35.250  476.829   36.294  270.331   9.6223  264.904   10.110 5.426331 13.95737 
1 1 1   21    7    7 o  392.180   8.0626  1045.96   42.834  1043.77   59.749  1048.29   61.438  391.775   11.254  392.585   11.548 -0.8101196 16.12518 
1 1 1   21    7    8 o  242.313   6.8484  399.687   22.437  428.095   31.603  370.816   31.859  251.037   9.2899  233.588   10.065 17.44888 13.69681 
1 1 1   21    7    9 o  181.554   6.6936  224.029   16.414  224.890   22.349  223.022   24.186  181.954   9.0638  181.155   9.8522 0.7987061 13.38725 
1 1 1   21    7   10 o  213.560   6.7081  311.047   19.342  332.028   26.888  288.546   27.844  221.083   8.9746  206.037   9.9724 15.04604 13.41611 
1 1 1   21    7   11 o  270.222   6.9385  495.465   25.361  482.993   34.651  509.853   37.217  266.585   9.5918  273.859   10.028 -7.273712 13.87695 
1 1 1   21    7   12 o  369.129   7.7922  927.549   38.955  960.092   54.926  894.613   55.257  375.679   10.789  362.580   11.246 13.09921 15.58444 
1 1 1   21    7   13 o  301.996   7.1881  620.365   29.364  669.560   41.871  572.752   41.192  313.814   9.8459  290.177   10.475 23.63708 14.37624 
1 1 1   21    7   14 o  364.191   7.7431  903.160   38.191  932.768   53.780  873.038   54.245  370.249   10.719  358.133   11.177 12.11646 15.48613 
1 1 1   21    7   15 o  427.087   8.4371  1242.88   48.809  1289.00   69.146  1197.09   68.906  435.024   11.729  419.151   12.131 15.87292 16.87430 
1 1 1   21    7   16 o  601.065   10.628  2469.01   86.543  2548.64  123.487  2392.15  121.323  610.624   14.923  591.506   15.136 19.11761 21.25543 
1 1 1   21    7   17 o  522.106   13.409  1860.62   94.875  1860.62   94.875   0.0000   0.0000  522.106   13.409  ?   ?       ?      ? 
1 1 1   21    7   18 o  306.738   9.9581  640.196   41.393  640.196   41.393   0.0000   0.0000  306.738   9.9581  ?   ?       ?      ? 
1 1 1   21    7   19 o  282.484   9.6304  542.887   36.866  542.887   36.866   0.0000   0.0000  282.484   9.6304  ?   ?       ?      ? 
1 1 1   21    7   20 o  394.670   11.158  1061.41   59.674  1061.41   59.674   0.0000   0.0000  394.670   11.158  ?   ?       ?      ? 
1 1 1   21    7   21 o  228.271   6.7317  356.472   20.709  389.587   28.836  321.206   29.758  239.339   8.8909  217.203   10.110 22.13599 13.46339 
1 1 1   21    7   22 o  140.958   6.8940  138.369   12.866  159.753   17.431  112.773   19.071  153.284   8.3915  128.633   10.940 24.65155 13.78793 
1 1 1   21    7   23 o  110.930   7.1351   83.457   10.585   81.688   13.826   85.962   16.455  109.558   9.3126  112.301   10.813 -2.743828 14.27017 
1 1 1   21    7   24 o  252.202   6.7540  431.461   22.996  415.810   30.984  450.657   34.313  247.166   9.2504  257.238   9.8434 -10.07175 13.50790 
1 1 1   21    7   25 o  240.540   6.6799  392.502   21.685  378.859   29.167  409.363   32.424  235.923   9.1231  245.156   9.7599 -9.233185 13.35985 
1 1 1   21    7   26 o  159.853   5.8036  180.058   10.808  186.576   12.560  161.459   21.217  165.792   5.5903  153.913   10.172 11.87909 11.60725 
1 1 1   21    7   27 o  177.719   4.1164  214.579   9.9069  221.052   13.910  207.915   14.114  180.449   5.6883  174.989   5.9517 5.459824 8.232818 
1 1 1   21    7   28 o  148.987   4.0940  150.781   8.2614  153.648   11.572  147.801   11.798  150.438   5.6764  147.536   5.9009 2.902161 8.187936 
1 1 1   21    7   29 o  226.745   6.2167  349.218   19.102   0.0000   0.0000  349.218   19.102  ?   ?   226.745   6.2167      ?      ? 
1 1 1   21    7   30 o  217.085   4.3041  320.319   12.652  328.601   17.712  311.690   18.080  219.964   5.9419  214.205   6.2284 5.759384 8.608109 
1 1 1   21    7   31 o  138.279   4.1435  129.443   7.7517  120.959   10.629  139.081   11.329  133.454   5.8774  143.104   5.8421 -9.650482 8.287019 
1 1 1   21    7   32 o  245.628   4.4816  410.253   14.899  434.401   21.097  386.226   21.044  252.864   6.1568  238.393   6.5140 14.47141 8.963157 
1 1 1   21    7   33 o  164.946   5.6189  176.962   10.967  168.921   12.589  202.265   22.331  157.693   5.8913  172.199   9.5698 -14.50569 11.23787 
1 1 1   21    7   34 o  295.361   4.7978  592.461   19.168  644.694   27.595  543.767   26.644  307.951   6.6126  282.771   6.9532 25.17975 9.595527 
1 1 1   21    7   35 o  236.161   4.4443  378.995   14.215  377.141   19.741  380.991   20.485  235.573   6.1838  236.749   6.3851 -1.176178 8.888638 
1 1 1   21    7   36 o  190.212   4.3293  246.272   11.130  267.218   15.765  225.452   15.717  198.313   5.8661  182.112   6.3687 16.20113 8.658602 
1 1 1   21    7   37 o  114.960   6.4310   89.857   10.019   0.0000   0.0000   89.857   10.019  ?   ?   114.960   6.4310      ?      ? 
1 1 1   21    7   38 o  170.164   6.2357  196.857   14.379   0.0000   0.0000  196.857   14.379  ?   ?   170.164   6.2357      ?      ? 
1 1 1   21    7   39 o  134.005   4.3232  122.122   7.8425  122.987   10.867  121.182   11.329  134.511   5.9618  133.499   6.2623 1.012756 8.646363 
1 1 1   21    7   40 o  221.305   4.4326  333.014   13.284  331.517   18.424  334.635   19.171  220.802   6.1573  221.809   6.3779 -1.006989 8.865114 
1 1 1   21    7   41 o  181.369   4.3481  222.777   10.664  207.668   14.539  240.371   15.689  174.742   6.1398  187.997   6.1583 -13.25432 8.696110 
1 1 1   21    7   42 o  105.211   4.6731   75.291   6.6547   74.270   9.1631   76.431   9.6804  104.467   6.4727  105.956   6.7420 -1.488670 9.346104 
1 1 1   21    7   43 o  215.061   4.4616  315.130   12.988  327.976   18.217  301.848   18.523  219.551   6.1228  210.570   6.4913 8.981171 8.923279 
1 1 1   21    7   44 o  132.640   4.5533  120.416   8.1416  130.444   11.303  109.602   11.738  138.450   6.0242  126.830   6.8293 11.62012 9.106608 
1 1 1   21    7   45 o  140.148   5.1132  132.489   9.3345  128.724   11.613  139.362   15.690  137.488   6.2332  142.809   8.1073 -5.321365 10.22648 
1 1 1   21    7   46 o  163.670   5.3342  190.736   11.167  211.843   14.167  156.110   18.146  176.384   5.9271  150.955   8.8705 25.42892 10.66848 
1 1 1   21    7   47 o  164.226   4.4506  182.922   9.8796  168.329   13.444  200.057   14.568  157.138   6.3133  171.314   6.2750 -14.17650 8.901285 
1 1 1   21    7   48 o   53.101   9.0099   11.945   6.0298   4.7249   6.7406   40.865   13.491   30.786   11.699   75.416   13.705 -44.63010 18.01978 
1 1 1   21    7   49 o  125.348   6.2911  107.848   9.3089  107.693   10.787  108.301   18.425  125.612   6.3370  125.084   10.870 0.5273209 12.58224 
1 1 1   21    7   50 o  173.941   4.5196  207.218   10.625  219.267   14.812  194.449   15.248  179.226   6.0988  168.656   6.6717 10.56982 9.039147 
1 1 1   21    7   51 o  129.316   4.6594  114.246   8.1583  111.153   11.260  117.665   11.837  127.489   6.5176  131.143   6.6603 -3.654770 9.318738 
1 1 1   21    7   52 f   99.387   5.0504   67.931   6.7831   71.772   9.4439   63.838   9.7489  102.352   6.8089   96.422   7.4610 5.929642 10.10084 
1 1 1   21    7   53 o   97.106   6.4136   67.516   7.9089   58.227   13.245   72.664   9.8598   91.331   10.701  102.881   7.0721 -11.55032 12.82712 
1 1 1   21    7   54 o  167.074   5.4758  186.259   11.833  213.015   20.536  172.960   14.479  175.419   8.6389  158.730   6.7312 16.68848 10.95168 
1 1 1   21    7   55 o  119.301   4.8569   97.875   7.8329   89.025   10.947  107.161   11.213  113.714   7.1038  124.889   6.6253 -11.17494 9.713840 
1 1 1   21    7   56 f   76.474   5.8183   40.584   6.0252   39.971   8.6472   41.161   8.3999   75.874   8.4101   77.074   8.0424 -1.200584 11.63657 
1 1 1   21    7   57 o  122.920   5.8576  105.993   9.2124  102.118   15.707  108.024   11.374  120.649   9.6072  125.191   6.7045 -4.542320 11.71528 
1 1 1   21    7   58 o   82.934   6.6136   45.899   7.1112   56.773   12.410   40.584   8.6769   89.594   10.222   76.273   8.3948 13.32021 13.22716 
1 1 1   21    7   59 o   38.340   8.0261   10.119   4.9750   16.956   6.9978   3.1321   7.0743   47.833   11.022   28.846   11.670 18.98675 16.05219 
1 1 1   21    7   60 o   98.325   5.2685   67.324   7.0197   67.174   9.8789   67.476   9.9765   98.225   7.4217   98.425   7.4798 -0.2002487 10.53704 
1 1 1   21    7   61 o   82.442   5.8748   47.944   6.3826   34.640   8.7766   62.878   9.2986   69.889   9.2670   94.995   7.2232 -25.10641 11.74954 
1 1 1   21    7   62 o   69.524   6.2901   34.450   5.8768   39.084   8.2747   29.733   8.3480   74.501   8.1962   64.547   9.5438 9.953606 12.58024 
1 1 1   21    7   63 o   62.417   7.9420   28.795   6.3301   28.599   7.9827   29.127   10.390   63.279   9.3091   61.555   12.870 1.724457 15.88392 
1 1 1   21    7   64 o   53.613   9.3363   24.326   6.6918   27.989   7.8988   15.012   12.595   62.499   9.3262   44.727   16.177 17.77254 18.67253 
1 1 1   21    7   65 o   68.370   7.5832   33.102   6.7669   38.442   11.500   30.274   8.3692   71.915   11.801   64.825   9.5270 7.089577 15.16632 
1 1 1   21    7   66 o   56.417   10.029   25.709   7.7052   22.257   11.070   28.954   10.732   52.265   14.902   60.570   13.427 -8.304367 20.05899 
1 1 1   21    7   67 o   46.061   8.5316   16.536   5.5071   12.196   7.7418   20.983   7.8355   39.840   12.712   52.282   11.382 -12.44187 17.06322 
1 1 1   21    7   68 o   58.693   10.970   28.627   9.3643   41.149   13.567   17.233   12.942   71.270   14.539   46.117   16.431 25.15295 21.93987 
1 1 1   21    7   69 o   31.839   9.7291   0.8524   7.9279   7.1720   11.378  -5.1116   11.053   36.105   14.728   27.572   12.717 8.533283 19.45828 
1 1 1   21    7   70 o   55.029   11.046   25.629   8.9383   34.986   13.078   17.426   12.245   64.403   15.225   45.654   16.010 18.74879 22.09295 
1 1 1   21    7   71 o   43.313   10.432   12.465   8.4686   27.551   12.521  -0.2524   11.497   56.106   15.798   30.520   13.629 25.58594 20.86440 
1 1 1   21    7   72 o   30.649   13.517   1.2327   10.962   0.0000   0.0000   1.2327   10.962  ?   ?    30.649   13.517      ?      ? 
1 1 1   21    7   73 o   26.422   12.328  -5.5603   10.854   0.0000   0.0000  -5.5603   10.854  ?   ?    26.422   12.328      ?      ? 
1 1 1   21    7   74 o   41.919   15.837   15.487   12.305   0.0000   0.0000   15.487   12.305  ?   ?    41.919   15.837      ?      ? 
1 1 1   21    7   75 o   54.848   16.864   29.944   13.752   0.0000   0.0000   29.944   13.752  ?   ?    54.848   16.864      ?      ? 
1 1 1   21    7   76 o   34.485   14.707   7.8061   12.117   0.0000   0.0000   7.8061   12.117  ?   ?    34.485   14.707      ?      ? 
1 1 1   21    8    0 o  176.667   4.3077  211.643   10.311  217.106   14.718  206.377   14.450  178.906   6.0706  174.428   6.1132 4.478027 8.615336 
1 1 1   21    8    1 o  164.931   4.2380  184.528   9.4695  179.147   13.365  189.954   13.419  162.514   6.0686  167.348   5.9173 -4.834473 8.475974 
1 1 1   21    8    2 o  420.173   6.8906  1207.39   37.645  1171.88   62.317  1227.80   47.239  415.100   11.078  425.247   8.1974 -10.14719 13.78128 
1 1 1   21    8    4 o  406.481   11.659  1124.40   64.220  1124.40   64.220   0.0000   0.0000  406.481   11.659  ?   ?       ?      ? 
1 1 1   21    8    5 f  164.223   9.6467  183.293   21.468  183.293   21.468   0.0000   0.0000  164.223   9.6467  ?   ?       ?      ? 
1 1 1   21    8    6 o  285.354   10.001  553.584   38.671  553.584   38.671   0.0000   0.0000  285.354   10.001  ?   ?       ?      ? 
1 1 1   21    8    7 o  271.240   9.8235  500.165   36.108  500.165   36.108   0.0000   0.0000  271.240   9.8235  ?   ?       ?      ? 
1 1 1   21    8    8 o  217.751   9.4747  322.302   27.958  322.302   27.958   0.0000   0.0000  217.751   9.4747  ?   ?       ?      ? 
1 1 1   21    8    9 o  406.668   11.541  1126.04   63.603  1126.04   63.603   0.0000   0.0000  406.668   11.541  ?   ?       ?      ? 
1 1 1   21    8   10 o  417.920   11.646  1189.49   65.954  1189.49   65.954   0.0000   0.0000  417.920   11.646  ?   ?       ?      ? 
1 1 1   21    8   11 o  317.981   7.3787  688.115   31.743  689.927   43.684  686.089   46.204  318.464   10.122  317.498   10.739 0.9660339 14.75743 
1 1 1   21    8   12 o  169.592   6.7507  195.986   15.414  199.275   20.750  191.938   23.023  171.220   8.9430  167.964   10.115 3.256516 13.50143 
1 1 1   21    8   13 o  291.622   7.1421  579.568   28.180  605.839   39.413  552.092   40.307  298.436   9.7454  284.809   10.443 13.62772 14.28420 
1 1 1   21    8   14 o  419.197   8.3788  1198.11   47.574  1209.43   66.448  1186.20   68.145  421.273   11.639  417.121   12.056 4.151703 16.75757 
1 1 1   21    8   15 o  268.819   6.9776  490.809   25.358  479.071   34.523  504.562   37.370  265.366   9.6002  272.272   10.128 -6.906403 13.95520 
1 1 1   21    8   16 o  402.426   8.1880  1104.29   44.631  1115.57   62.347  1092.44   63.917  404.577   11.372  400.274   11.784 4.302338 16.37597 
1 1 1   21    8   17 o  381.539   7.9729  992.338   41.196  995.431   57.295  989.027   59.276  382.197   11.062  380.881   11.484 1.315826 15.94572 
1 1 1   21    8   18 o  422.599   8.4360  1218.34   48.278  1279.93   68.739  1158.39   67.820  433.191   11.710  412.006   12.147 21.18445 16.87207 
1 1 1   21    8   19 o  552.696   10.020  2090.21   75.016  2077.31  104.483  2103.92  107.770  551.006   13.993  554.386   14.345 -3.380554 20.03953 
1 1 1   21    8   20 o  417.470   8.3577  1189.51   47.246  1191.74   65.583  1187.09   68.120  417.938   11.580  417.002   12.055 0.9356995 16.71538 
1 1 1   21    8   21 o  296.678   7.1546  597.562   28.681  573.888   38.830  625.983   42.546  290.273   9.8714  303.082   10.359 -12.80923 14.30925 
1 1 1   21    8   22 o  374.918   7.8888  959.355   40.043  968.418   55.593  949.583   57.725  376.820   10.887  373.016   11.420 3.804474 15.77765 
1 1 1   21    8   23 o  300.893   7.1906  616.698   29.257  611.376   40.014  622.812   42.888  299.552   9.8573  302.233   10.471 -2.681305 14.38116 
1 1 1   21    8   24 o  228.986   6.7585  358.074   20.896  369.218   28.637  345.383   30.560  232.867   9.0747  225.105   10.018 7.761444 13.51705 
1 1 1   21    8   25 o  193.493   6.6438  252.609   17.297  235.837   22.869  275.027   26.439  186.096   9.0684  200.891   9.7119 -14.79460 13.28750 
1 1 1   21    8   26 o  224.202   6.6915  342.804   20.268  346.281   27.680  338.784   29.759  225.482   9.0589  222.923   9.8509 2.559479 13.38294 
1 1 1   21    8   27 o   62.412   10.355   27.366   8.4808   25.337   10.942   30.420   13.422   59.608   13.815   65.216   15.429 -5.607677 20.71008 
1 1 1   21    8   28 o  243.882   6.7770  404.971   22.323  399.098   30.263  411.982   33.063  242.000   9.2281  245.764   9.9275 -3.764572 13.55409 
1 1 1   21    8   29 o  194.565   5.7273  263.582   13.219  270.283   15.457  245.339   25.506  199.497   5.7177  189.633   9.9255 9.863876 11.45459 
1 1 1   21    8   30 o  202.340   4.2080  278.229   11.532  281.924   16.101  274.337   16.523  203.730   5.8320  200.950   6.0678 2.780075 8.416034 
1 1 1   21    8   31 o  216.563   5.0304  317.005   14.282  326.699   23.534  311.353   17.970  219.069   7.9274  214.057   6.1949 5.012375 10.06079 
1 1 1   21    8   32 o  172.305   4.7875  200.266   10.882  208.787   17.693  195.081   13.801  175.165   7.4535  169.444   6.0106 5.720764 9.575071 
1 1 1   21    8   33 o  116.926   4.8038   91.656   7.4757   99.768   11.939   86.425   9.5879  121.089   7.2758  112.763   6.2745 8.326653 9.607624 
1 1 1   21    8   34 o  203.451   4.3658  281.929   11.979  316.341   17.049  248.377   16.834  215.773   5.8305  191.130   6.4996 24.64310 8.731568 
1 1 1   21    8   35 o  109.657   6.6773   85.607   8.0823   88.386   9.1769   75.997   17.064  114.043   5.9381  105.270   11.962 8.772675 13.35463 
1 1 1   21    8   36 o  205.905   5.8183  291.015   14.353  293.402   16.798  284.559   27.625  207.768   5.9661  204.042   9.9908 3.726532 11.63661 
1 1 1   21    8   37 o  180.369   4.2814  221.409   10.450  226.704   14.508  215.700   15.065  182.631   5.8620  178.107   6.2418 4.524338 8.562898 
1 1 1   21    8   38 o  184.256   4.3224  230.562   10.779  225.429   14.809  236.345   15.719  182.090   6.0013  186.423   6.2222 -4.332870 8.644753 
1 1 1   21    8   39 o  164.007   4.3155  183.318   9.5681  190.223   13.246  175.783   13.836  167.269   5.8436  160.745   6.3518 6.523987 8.630917 
1 1 1   21    8   40 o   34.326   9.1943   5.8988   5.7413   5.5847   9.4188   6.0846   7.2423   35.399   13.732   33.253   12.230 2.145779 18.38863 
1 1 1   21    8   41 o  120.920   5.2933  103.400   8.2416  114.174   10.506   86.167   13.288  129.549   5.9847  112.290   8.7326 17.25890 10.58653 
1 1 1   21    8   42 o  188.803   4.3864  243.111   11.201  254.432   15.623  231.135   16.068  193.368   5.9619  184.238   6.4357 9.129684 8.772840 
1 1 1   21    8   43 o  154.201   4.3931  161.370   9.1631  152.874   12.506  171.217   13.464  149.840   6.1592  158.561   6.2659 -8.721558 8.786196 
1 1 1   21    8   44 o  106.906   4.8606   79.729   6.7999  103.240   9.6114   56.169   9.6215  123.151   5.7592   90.660   7.8315 32.49159 9.721185 
1 1 1   21    8   45 o  145.659   4.4787  145.512   8.7592  167.975   12.383  123.018   12.392  157.047   5.8187  134.270   6.8102 22.77647 8.957474 
1 1 1   21    8   46 o   52.648   7.1559   19.732   4.9157   20.150   6.8230   19.281   7.0884   53.304   9.8070   51.992   10.424 1.312698 14.31189 
1 1 1   21    8   47 o  154.668   4.4464  163.491   9.3003  175.085   13.129  151.814   13.176  160.221   6.0470  149.115   6.5204 11.10663 8.892813 
1 1 1   21    8   48 o  152.963   4.4924  159.147   9.2834  142.702   12.726  177.850   13.572  144.524   6.4981  161.402   6.2050 -16.87827 8.984794 
1 1 1   21    8   49 o  114.899   4.7777   90.809   7.3839  102.963   10.411   78.507   10.474  122.756   6.2584  107.042   7.2207 15.71359 9.555454 
1 1 1   21    8   50 o  116.026   6.2960   85.792   8.7337   78.620   10.018  108.516   17.832  107.120   6.9009  124.932   10.533 -17.81262 12.59193 
1 1 1   21    8   51 o  101.111   7.2837   76.649   8.3850   82.459   9.7790   60.517   16.295  109.707   6.5777   92.514   12.998 17.19293 14.56732 
1 1 1   21    8   52 o  111.555   4.8465   85.150   7.2852   73.277   10.010   98.520   10.622  103.250   7.1545  119.861   6.5397 -16.61119 9.693040 
1 1 1   21    8   53 o   91.385   6.2030   57.069   7.3722   61.017   12.466   54.946   9.1423   93.505   9.8381   89.265   7.5577 4.239792 12.40592 
1 1 1   21    8   54 o   60.221   8.2763   30.550   6.3338   12.680   10.257   41.565   8.0526   42.887   14.672   77.555   7.6621 -34.66711 16.55259 
1 1 1   21    8   55 o   72.647   7.1275   37.293   6.6756   36.454   11.237   37.750   8.2987   71.590   11.583   73.704   8.3088 -2.114113 14.25496 
1 1 1   21    8   56 o  100.958   6.1867   71.026   8.0730   71.797   13.647   70.611   10.013  100.922   9.9789  100.995   7.3159 -0.7297516E-01 12.37342 
1 1 1   21    8   57 o   80.140   5.6749   44.710   6.1582   42.361   8.5734   47.214   8.8514   77.942   8.1171   82.338   7.9329 -4.395844 11.34976 
1 1 1   21    8   58 o   77.420   5.9801   42.044   6.2106   34.733   8.6182   49.942   8.9577   70.223   9.0565   84.617   7.8119 -14.39484 11.96013 
1 1 1   21    8   59 o   89.486   6.2777   54.772   7.4405   48.838   9.3950   64.756   12.186   83.402   8.3126   95.569   9.4095 -12.16628 12.55534 
1 1 1   21    8   60 o  110.208   5.8978   85.613   8.5429   85.894   10.863   85.156   13.830  110.967   7.2241  109.450   9.3245 1.517197 11.79554 
1 1 1   21    8   61 o  107.167   5.1617   80.577   7.4451   91.649   10.577   69.703   10.482  114.707   6.8043   99.626   7.7637 15.08103 10.32347 
1 1 1   21    8   62 o   83.588   5.7771   49.100   6.4649   39.552   8.8160   60.209   9.5089   74.603   8.7203   92.573   7.5798 -17.97060 11.55413 
1 1 1   21    8   63 o   66.931   6.5055   32.009   5.8737   28.095   8.1036   36.341   8.5258   62.482   9.5706   71.380   8.8141 -8.897827 13.01095 
1 1 1   21    8   64 o   32.405   8.5789   6.6002   5.0792   6.3404   7.0450   6.8814   7.3295   31.945   12.001   32.864   12.262 -0.9181900 17.15775 
1 1 1   21    8   65 o   64.791   9.1502   31.986   7.0251   31.431   8.2074   33.506   13.586   66.066   9.1674   63.516   15.839 2.549580 18.30040 
1 1 1   21    8   66 o   74.927   9.9276   44.629   9.6914   43.127   13.232   46.367   14.234   73.771   13.742   76.082   14.331 -2.311554 19.85525 
1 1 1   21    8   67 o   30.027   9.4587  -1.4458   7.9057   2.5873   10.988  -5.7746   11.383   32.320   13.900   27.735   12.832 4.585512 18.91740 
1 1 1   21    8   68 o   31.600   13.748   1.7714   10.998   0.0000   0.0000   1.7714   10.998  ?   ?    31.600   13.748      ?      ? 
1 1 1   21    8   70 o   67.516   15.365   39.126   13.741   0.0000   0.0000   39.126   13.741  ?   ?    67.516   15.365      ?      ? 
1 1 1   21    8   71 o   32.866   14.068   4.3051   11.159   0.0000   0.0000   4.3051   11.159  ?   ?    32.866   14.068      ?      ? 
1 1 1   21    8   72 o   29.315   13.152  -0.1289   10.838   0.0000   0.0000  -0.1289   10.838  ?   ?    29.315   13.152      ?      ? 
1 1 1   21    8   73 o   33.075   14.297   4.9177   11.741   0.0000   0.0000   4.9177   11.741  ?   ?    33.075   14.297      ?      ? 
1 1 1   21    9    0 o  476.378   6.2534  1541.98   40.368  1554.83   57.164  1529.20   57.016  478.361   8.8183  474.395   8.8689 3.966339 12.50680 
1 1 1   21    9    1 o  465.081   6.1508  1469.50   38.763  1493.26   55.105  1446.23   54.537  468.805   8.6739  461.357   8.7232 7.448059 12.30162 
1 1 1   21    9    2 o  323.760   5.0248  711.625   22.044  721.272   31.140  701.937   31.209  325.965   7.0497  321.556   7.1620 4.408264 10.04954 
1 1 1   21    9    3 o  286.428   7.3611  558.660   28.546  573.927   39.896  542.645   40.861  290.472   10.136  282.385   10.678 8.087311 14.72228 
1 1 1   21    9    4 o  482.489   9.2522  1588.00   60.482  1624.91   85.577  1551.17   85.493  488.127   12.937  476.851   13.230 11.27600 18.50431 
1 1 1   21    9    5 o  548.701   10.080  2053.47   74.886  2170.66  108.062  1945.19  103.873  563.775   14.144  533.627   14.364 30.14746 20.15922 
1 1 1   21    9    6 o  263.346   7.3062  471.962   26.060  472.954   36.285  470.905   37.451  263.651   10.156  263.041   10.506 0.6101685 14.61248 
1 1 1   21    9    7 o  176.830   11.227  212.972   26.903   0.0000   0.0000  212.972   26.903  ?   ?   176.830   11.227      ?      ? 
1 1 1   21    9    8 o  216.012   9.5669  317.384   28.005  317.384   28.005   0.0000   0.0000  216.012   9.5669  ?   ?       ?      ? 
1 1 1   21    9    9 o  383.421   8.1284  1002.46   42.202  1023.40   58.941  980.445   60.453  387.582   11.222  379.260   11.762 8.321869 16.25685 
1 1 1   21    9   10 o  269.028   7.1807  493.709   26.102  509.500   35.930  476.063   37.982  273.648   9.6891  264.408   10.600 9.239868 14.36136 
1 1 1   21    9   11 o  232.471   6.9681  367.151   21.873  360.514   29.583  375.154   32.486  230.195   9.4832  234.746   10.212 -4.551010 13.93621 
1 1 1   21    9   12 o  150.392   7.2369  155.069   14.610  163.436   19.698  144.840   21.780  154.991   9.3786  145.793   11.024 9.197525 14.47381 
1 1 1   21    9   13 o  271.999   7.1858  504.743   26.393  555.622   37.433  454.444   37.219  285.720   9.6678  258.278   10.634 27.44177 14.37166 
1 1 1   21    9   14 o  294.291   7.2723  590.539   28.969  610.988   40.519  569.156   41.434  299.553   9.9816  289.029   10.579 10.52377 14.54454 
1 1 1   21    9   15 o  252.350   6.9590  429.174   23.673  388.411   31.603  481.285   35.732  238.847   9.7640  265.853   9.9183 -27.00604 13.91795 
1 1 1   21    9   16 o   67.648   10.191   32.711   9.0041   34.334   12.040   30.653   13.562   69.741   13.224   65.556   15.509 4.185127 20.38147 
1 1 1   21    9   17 o  207.773   6.8181  295.490   19.064  333.665   26.864  256.762   27.058  221.434   8.9524  194.113   10.286 27.32069 13.63628 
1 1 1   21    9   18 o  213.553   6.7997  311.590   19.609  327.047   27.078  294.547   28.433  219.195   9.1160  207.911   10.092 11.28386 13.59945 
1 1 1   21    9   19 o  154.399   6.9713  160.265   14.480  144.686   19.125  181.189   22.165  145.739   9.6837  163.059   10.031 -17.31966 13.94252 
1 1 1   21    9   20 o  108.072   7.6863   81.191   10.990   88.422   14.488   71.392   16.865  113.941   9.3830  102.203   12.177 11.73865 15.37250 
1 1 1   21    9   21 o  235.693   6.8584  378.004   21.815  372.766   29.448  384.376   32.475  233.942   9.2890  237.445   10.093 -3.503632 13.71677 
1 1 1   21    9   22 o  295.996   7.2263  593.667   28.863  557.764   38.702  638.657   43.323  286.022   9.9851  305.971   10.449 -19.94910 14.45257 
1 1 1   21    9   23 o  183.645   6.7549  230.001   16.711  231.221   22.481  228.493   24.983  184.249   9.0039  183.040   10.072 1.209549 13.50988 
1 1 1   21    9   24 o  269.239   7.1220  495.415   25.929  527.701   36.442  462.313   36.900  278.211   9.6660  260.267   10.462 17.94427 14.24396 
1 1 1   21    9   25 o  325.676   10.933  724.538   48.251   0.0000   0.0000  724.538   48.251  ?   ?   325.676   10.933      ?      ? 
1 1 1   21    9   26 o  114.376   11.515   89.468   17.848   0.0000   0.0000   89.468   17.848  ?   ?   114.376   11.515      ?      ? 
1 1 1   21    9   27 o  278.508   7.2081  529.464   27.103  592.292   38.912  470.264   37.771  294.643   9.7454  262.373   10.623 32.27039 14.41627 
1 1 1   21    9   28 o  263.035   6.9879  470.295   24.804  452.443   33.340  492.425   37.121  257.530   9.5534  268.540   10.201 -11.01044 13.97577 
1 1 1   21    9   29 o  212.288   6.8112  299.998   19.346  258.665   25.087  360.646   30.389  194.708   9.5079  229.867   9.7556 -35.15866 13.62244 
1 1 1   21    9   30 o  171.039   6.7781  199.288   15.591  196.672   20.747  202.684   23.633  169.823   9.0151  172.255   10.124 -2.431961 13.55614 
1 1 1   21    9   31 o  112.884   7.9758   89.982   11.808  104.126   15.744   71.799   17.851  123.520   9.4059  102.248   12.883 21.27191 15.95156 
1 1 1   21    9   32 o  202.776   5.9916  287.183   14.235  294.448   16.540  266.428   27.955  208.162   5.8634  197.391   10.451 10.77106 11.98327 
1 1 1   21    9   33 o  186.038   6.0438  235.251   15.237   0.0000   0.0000  235.251   15.237  ?   ?   186.038   6.0438      ?      ? 
1 1 1   21    9   34 f  106.225   4.3227   76.493   6.2124   72.917   8.4945   80.604   9.1089  103.568   6.0524  108.883   6.1734 -5.314812 8.645399 
1 1 1   21    9   35 o  152.710   4.6983  158.134   9.3952  156.626   11.824  160.717   15.475  151.805   5.7477  153.616   7.4336 -1.810593 9.396531 
1 1 1   21    9   36 o  212.417   5.0247  306.359   13.881  304.139   17.317  310.349   23.216  211.488   6.0424  213.346   8.0301 -1.857452 10.04949 
1 1 1   21    9   37 o  202.578   6.0773  291.269   14.528  304.037   17.034  257.187   27.830  211.446   5.9446  193.710   10.602 17.73566 12.15452 
1 1 1   21    9   38 o  213.454   5.7704  288.314   14.600  266.785   16.685  358.648   30.158  198.013   6.2180  228.896   9.7225 -30.88277 11.54082 
1 1 1   21    9   39 o   77.488   4.9755   40.693   5.1946   34.970   7.0894   47.327   7.6334   71.621   7.3045   83.356   6.7577 -11.73508 9.950953 
1 1 1   21    9   40 o   85.960   4.9283   50.559   5.7183   54.307   7.9645   46.572   8.2152   89.288   6.5823   82.632   7.3365 6.656517 9.856535 
1 1 1   21    9   41 o  112.353   6.4482   96.142   8.6199   63.253   14.767  113.143   10.616   95.799   11.375  128.906   6.0775 -33.10678 12.89637 
1 1 1   21    9   42 o  124.675   5.8597  107.960   9.1706  102.001   16.162  110.789   11.137  121.859   9.7873  127.491   6.4462 -5.632545 11.71945 
1 1 1   21    9   43 o  190.073   4.4293  243.550   11.324  206.475   15.216  289.583   16.955  174.002   6.4529  206.143   6.0693 -32.14085 8.858662 
1 1 1   21    9   44 o  112.516   4.6434   86.650   7.0555   94.117   9.9230   79.015   10.034  117.473   6.2333  107.560   6.8841 9.913788 9.286807 
1 1 1   21    9   45 o   73.376   5.5290   37.037   5.4357   30.325   7.5958   44.082   7.7821   66.468   8.4330   80.284   7.1530 -13.81629 11.05801 
1 1 1   21    9   46 o   98.696   4.9413   66.729   6.6000   69.518   9.2431   63.829   9.4273  100.832   6.7645   96.560   7.2046 4.272316 9.882561 
1 1 1   21    9   47 o  102.331   4.9035   71.486   6.7771   63.695   9.3370   80.160   9.8522   96.423   7.1456  108.239   6.7169 -11.81603 9.806948 
1 1 1   21    9   48 o  189.977   4.4584  246.241   11.463  231.175   15.791  263.025   16.667  183.839   6.3387  196.114   6.2715 -12.27538 8.916887 
1 1 1   21    9   49 o  108.362   5.6645   80.484   8.0128   82.374   13.306   79.409   10.037  109.124   8.9981  107.601   6.8833 1.522858 11.32893 
1 1 1   21    9   50 o  125.647   6.0107  116.863   9.4569   83.423   15.187  138.043   12.086  109.349   10.249  141.946   6.2833 -32.59649 12.02137 
1 1 1   21    9   51 f  129.525   4.6068  114.921   8.0758  110.434   11.086  119.994   11.788  126.853   6.4489  132.196   6.5804 -5.342606 9.213576 
1 1 1   21    9   52 o  101.215   6.6016   68.323   7.9369   65.124   9.1380   78.148   16.015   97.252   6.9338  105.178   11.236 -7.925438 13.20329 
1 1 1   21    9   53 o   56.807   6.8458   22.811   5.1097   18.846   6.9634   27.437   7.5213   50.877   10.450   62.737   8.8468 -11.85956 13.69153 
1 1 1   21    9   54 o   66.610   6.0459   31.053   5.4346   32.630   7.4880   29.298   7.9000   68.508   8.0657   64.712   9.0087 3.795578 12.09180 
1 1 1   21    9   55 o   82.047   6.1420   45.971   6.6153   42.757   8.2620   51.711   11.042   78.409   7.7757   85.684   9.5097 -7.275558 12.28401 
1 1 1   21    9   56 o   66.424   6.7669   30.447   5.9699   27.653   7.5924   34.972   9.6625   62.707   8.9347   70.142   10.165 -7.435207 13.53385 
1 1 1   21    9   57 o   82.756   7.7231   53.708   7.5001   38.619   12.673   61.842   9.3044   71.257   13.621   94.254   7.2846 -22.99715 15.44627 
1 1 1   21    9   58 o   45.071   7.9971   15.048   5.1555   8.1801   7.1161   22.636   7.4793   34.723   12.203   55.419   10.339 -20.69637 15.99424 
1 1 1   21    9   59 o   48.901   7.9115   17.454   5.4292   10.008   7.3741   26.269   8.0230   37.235   12.442   60.566   9.7752 -23.33077 15.82291 
1 1 1   21    9   60 o   73.693   6.3816   39.501   6.1554   50.232   8.6530   28.508   8.7579   84.592   7.5485   62.795   10.292 21.79633 12.76322 
1 1 1   21    9   61 o   60.581   9.8001   25.909   7.0542   22.530   8.1214   36.290   14.236   54.531   11.359   66.631   15.973 -12.09983 19.60028 
1 1 1   21    9   62 o   58.273   11.049   28.063   8.9266   30.085   12.094   25.641   13.231   61.082   14.772   55.465   16.434 5.616905 22.09729 
1 1 1   21    9   63 o   49.883   9.8908   18.848   8.4497   34.793   11.740   1.7114   12.171   66.496   13.490   33.271   14.468 33.22439 19.78158 
1 1 1   21    9   64 o   30.010   9.1458  -1.7198   7.3917   7.6721   10.252 -11.8901   10.668   35.974   14.216   24.045   11.510 11.92859 18.29166 
1 1 1   21    9   65 o   27.004   12.502  -5.8468   10.833   0.0000   0.0000  -5.8468   10.833  ?   ?    27.004   12.502      ?      ? 
1 1 1   21    9   66 o   27.260   12.600  -5.4310   10.939   0.0000   0.0000  -5.4310   10.939  ?   ?    27.260   12.600      ?      ? 
1 1 1   21    9   67 o   27.858   12.756  -3.8460   10.847   0.0000   0.0000  -3.8460   10.847  ?   ?    27.858   12.756      ?      ? 
1 1 1   21    9   68 o   53.301   16.273   25.170   12.832   0.0000   0.0000   25.170   12.832  ?   ?    53.301   16.273      ?      ? 
1 1 1   21    9   69 o   73.067   15.263   45.803   14.625   0.0000   0.0000   45.803   14.625  ?   ?    73.067   15.263      ?      ? 
1 1 1   21    9   70 o   63.760   15.877   36.448   13.665   0.0000   0.0000   36.448   13.665  ?   ?    63.760   15.877      ?      ? 
1 1 1   21   10    0 o  237.432   5.8091  373.730   17.177  406.766   31.827  360.151   20.405  244.527   9.6047  230.337   6.5370 14.19031 11.61823 
1 1 1   21   10    1 o  239.980   4.5884  390.857   14.919  387.046   20.852  394.853   21.353  238.785   6.4441  241.176   6.5335 -2.390167 9.176733 
1 1 1   21   10    2 o  247.315   4.5892  415.109   15.378  409.636   21.509  420.831   21.994  245.650   6.4614  248.980   6.5186 -3.330063 9.178375 
1 1 1   21   10    3 o  271.412   4.7122  499.626   17.323  482.940   24.045  517.631   24.977  266.707   6.6528  276.118   6.6753 -9.411102 9.424410 
1 1 1   21   10    4 o  175.298   4.3094  208.634   10.230  210.417   14.237  206.731   14.709  176.079   5.9665  174.517   6.2197 1.561661 8.618832 
1 1 1   21   10    5 o  149.290   7.3144  151.302   14.721  147.372   19.728  156.240   22.114  147.141   9.8938  151.439   10.776 -4.298019 14.62880 
1 1 1   21   10    6 o  202.430   7.0378  278.674   19.259  274.902   26.250  283.072   28.342  200.978   9.6382  203.882   10.258 -2.904434 14.07562 
1 1 1   21   10    7 o  315.323   7.5430  677.836   32.199  687.368   44.732  667.586   46.385  317.669   10.391  312.976   10.937 4.692993 15.08591 
1 1 1   21   10    8 o  152.561   7.3337  159.338   15.046  166.020   20.330  151.245   22.373  156.173   9.6060  148.949   11.084 7.224167 14.66733 
1 1 1   21   10    9 o  138.397   7.4455  129.717   13.897  122.889   18.588  138.368   20.925  134.316   10.212  142.477   10.838 -8.160873 14.89091 
1 1 1   21   10   10 o  205.042   7.0855  287.098   19.616  296.796   26.909  276.099   28.657  208.801   9.5099  201.285   10.506 7.515900 14.17103 
1 1 1   21   10   11 o  366.597   11.659  917.207   57.919   0.0000   0.0000  917.207   57.919  ?   ?   366.597   11.659      ?      ? 
1 1 1   21   10   12 o  246.244   9.9924  413.089   33.344  413.089   33.344   0.0000   0.0000  246.244   9.9924  ?   ?       ?      ? 
1 1 1   21   10   13 o   72.102   10.736   41.124   11.028   64.044   14.508   9.7581   16.972   96.891   11.049   47.312   18.411 49.57994 21.47207 
1 1 1   21   10   14 o  389.907   8.2373  1038.73   43.496  1070.94   61.150  1005.75   61.882  396.094   11.392  383.719   11.901 12.37442 16.47462 
1 1 1   21   10   15 o  457.837   8.9771  1432.08   55.635  1400.62   76.579  1467.24   80.964  452.590   12.486  463.085   12.902 -10.49542 17.95421 
1 1 1   21   10   16 o  189.586   10.529  245.164   27.051   0.0000   0.0000  245.164   27.051  ?   ?   189.586   10.529      ?      ? 
1 1 1   21   10   17 o  297.633   10.837  604.585   43.711   0.0000   0.0000  604.585   43.711  ?   ?   297.633   10.837      ?      ? 
1 1 1   21   10   18 o  280.873   10.750  538.448   40.917   0.0000   0.0000  538.448   40.917  ?   ?   280.873   10.750      ?      ? 
1 1 1   21   10   19 o  189.033   10.617  243.896   27.196   0.0000   0.0000  243.896   27.196  ?   ?   189.033   10.617      ?      ? 
1 1 1   21   10   20 o  283.497   7.3141  549.859   28.026  581.620   39.087  516.253   40.206  292.033   9.8769  274.961   10.790 17.07184 14.62822 
1 1 1   21   10   21 o  188.143   6.9729  241.924   17.688  246.584   23.974  236.357   26.203  190.204   9.3013  186.082   10.391 4.122070 13.94590 
1 1 1   21   10   22 o  225.112   6.9753  344.239   21.169  332.040   28.325  359.673   31.860  220.673   9.4721  229.550   10.242 -8.876694 13.95063 
1 1 1   21   10   23 o  215.335   6.9368  315.373   20.142  306.813   27.013  326.091   30.227  212.117   9.3975  218.554   10.206 -6.437866 13.87361 
1 1 1   21   10   24 o  250.255   7.0571  421.339   23.733  381.321   31.198  476.310   36.565  236.397   9.7386  264.113   10.216 -27.71524 14.11430 
1 1 1   21   10   25 o  141.652   7.2850  135.508   13.862  126.073   18.210  148.510   21.376  135.900   9.8878  147.404   10.701 -11.50476 14.57003 
1 1 1   21   10   26 o  169.620   7.0321  191.550   15.949  166.309   20.622  229.121   25.159  156.088   9.7492  183.152   10.137 -27.06471 14.06420 
1 1 1   21   10   27 o  141.303   7.4993  137.284   14.196  142.218   18.913  130.917   21.483  144.335   9.6697  138.272   11.465 6.063156 14.99851 
1 1 1   21   10   28 o  269.245   9.7642  495.065   35.626  495.065   35.626   0.0000   0.0000  269.245   9.7642  ?   ?       ?      ? 
1 1 1   21   10   29 o  263.828   9.7017  475.395   34.686  475.395   34.686   0.0000   0.0000  263.828   9.7017  ?   ?       ?      ? 
1 1 1   21   10   30 o  299.599   10.065  613.581   40.865  613.581   40.865   0.0000   0.0000  299.599   10.065  ?   ?       ?      ? 
1 1 1   21   10   31 o  223.188   6.9967  340.571   21.030  341.087   28.232  339.928   31.523  223.488   9.3218  222.888   10.437 0.6005402 13.99344 
1 1 1   21   10   32 o  173.283   6.9026  207.303   16.029  223.914   21.715  187.418   23.759  181.122   8.8474  165.443   10.598 15.67905 13.80521 
1 1 1   21   10   33 o  155.930   5.9323  163.696   10.513  161.895   11.936  169.930   22.205  154.329   5.7073  157.531   10.402 -3.202133 11.86461 
1 1 1   21   10   34 o  130.100   6.0292  117.880   7.5434  118.897   8.1925  112.215   19.338  132.326   4.5687  127.875   11.159 4.450272 12.05844 
1 1 1   21   10   35 o  125.630   6.1202  105.289   7.3666  104.265   7.9577  111.423   19.478  123.898   4.7396  127.361   11.286 -3.463020 12.24041 
1 1 1   21   10   36 o  207.401   5.6904  294.623   12.458  295.231   13.826  291.994   28.731  208.454   4.8944  206.348   10.275 2.106094 11.38075 
1 1 1   21   10   37 o   43.538   6.4124   13.470   3.7197   10.309   5.3806   16.364   5.1480   38.112   10.212   48.964   7.7585 -10.85212 12.82472 
1 1 1   21   10   38 o  127.811   4.3023  111.049   7.4423  107.999   10.222  114.490   10.856  125.956   5.9888  129.666   6.1784 -3.710220 8.604538 
1 1 1   21   10   39 o  138.087   6.3100  135.071   9.8289  138.935   11.243  122.548   20.242  142.857   5.8078  133.316   11.204 9.541489 12.62001 
1 1 1   21   10   40 o  137.836   4.3641  128.767   8.1266  116.366   11.067  143.276   11.971  130.664   6.2504  145.009   6.0920 -14.34433 8.728127 
1 1 1   21   10   41 o  181.859   4.4221  226.061   10.814  262.195   15.476  191.581   15.117  196.172   5.8214  167.545   6.6582 28.62657 8.844256 
1 1 1   21   10   42 o  145.787   4.4243  143.831   8.6785  121.660   11.756  170.385   12.866  133.501   6.4981  158.074   6.0060 -24.57307 8.848627 
1 1 1   21   10   43 o  119.591   5.8069   95.958   8.7070  103.972   15.906   92.529   10.404  122.806   9.5580  116.376   6.5973 6.430214 11.61373 
1 1 1   21   10   44 o   90.448   6.9091   55.980   8.4684   0.0000   0.0000   55.980   8.4684  ?   ?    90.448   6.9091      ?      ? 
1 1 1   21   10   45 o   85.868   5.8055   48.797   6.5781   59.280   10.927   42.837   8.2383   92.749   8.6936   78.987   7.6966 13.76260 11.61106 
1 1 1   21   10   46 o   95.109   4.9417   61.875   6.3306   53.002   8.7241   71.744   9.2005   87.868   7.3266  102.350   6.6335 -14.48180 9.883435 
1 1 1   21   10   47 o   87.369   5.0296   52.519   5.9385   56.837   8.3856   48.175   8.4110   91.029   6.7978   83.709   7.4147 7.320320 10.05925 
1 1 1   21   10   48 o   39.555   7.9060   11.291   4.4253   11.376   6.3249   11.209   6.1939   39.700   11.245   39.411   11.116 0.2891731 15.81199 
1 1 1   21   10   49 o   78.615   5.2817   42.676   5.6052   47.307   7.9774   38.160   7.8773   82.899   7.1012   74.330   7.8204 8.568710 10.56343 
1 1 1   21   10   50 o  114.824   4.6611   90.404   7.2405   83.774   9.9589   97.838   10.546  110.353   6.6595  119.294   6.5233 -8.940704 9.322161 
1 1 1   21   10   51 o   47.328   8.2306   16.218   5.1409   14.983   6.5570   18.188   8.2822   45.179   10.847   49.477   12.382 -4.298191 16.46127 
1 1 1   21   10   52 o   25.239   7.6026   0.5763   4.4287   0.6298   5.5579   0.4832   7.3300   23.726   10.033   26.752   11.425 -3.026335 15.20523 
1 1 1   21   10   53 o   57.531   9.2632   28.653   6.2961   32.189   7.0986   15.611   13.632   68.040   7.6988   47.021   16.851 21.01953 18.52649 
1 1 1   21   10   54 o   90.701   7.2012   54.703   7.4914   51.549   8.4692   66.043   16.061   86.144   7.2549   95.258   12.442 -9.113922 14.40248 
1 1 1   21   10   55 o   80.118   5.5094   44.352   5.9293   36.995   7.9714   53.463   8.8712   72.667   8.0949   87.569   7.4757 -14.90132 11.01879 
1 1 1   21   10   56 o   57.368   7.1233   24.564   5.2686   29.145   7.1492   19.118   7.7945   64.391   8.1931   50.346   11.655 14.04507 14.24652 
1 1 1   21   10   57 o   31.889   8.3005   6.3009   4.7098   5.4805   6.3832   7.2813   6.9779   30.438   11.426   33.341   12.043 -2.903563 16.60109 
1 1 1   21   10   58 o   62.934   10.560   30.462   8.8627   23.262   11.515   40.926   13.882   53.852   15.145   72.017   14.722 -18.16465 21.12070 
1 1 1   21   10   59 o   76.828   9.7583   47.208   9.6013   58.279   13.030   34.057   14.201   89.360   10.760   64.296   16.282 25.06379 19.51659 
1 1 1   21   10   60 o   80.630   9.8016   52.282   10.035   65.224   13.663   37.121   14.788   94.421   10.678   66.839   16.440 27.58234 19.60328 
1 1 1   21   10   61 o   62.283   15.610   31.989   13.149   0.0000   0.0000   31.989   13.149  ?   ?    62.283   15.610      ?      ? 
1 1 1   21   10   62 o   48.526   15.530   19.308   11.547   0.0000   0.0000   19.308   11.547  ?   ?    48.526   15.530      ?      ? 
1 1 1   21   10   63 f   56.479   15.871   26.916   12.651   0.0000   0.0000   26.916   12.651  ?   ?    56.479   15.871      ?      ? 
1 1 1   21   10   64 o   43.795   15.720   15.256   11.867   0.0000   0.0000   15.256   11.867  ?   ?    43.795   15.720      ?      ? 
1 1 1   21   10   65 o   46.758   16.205   18.432   12.528   0.0000   0.0000   18.432   12.528  ?   ?    46.758   16.205      ?      ? 
1 1 1   21   10   66 o   44.503   16.060   16.521   12.404   0.0000   0.0000   16.521   12.404  ?   ?    44.503   16.060      ?      ? 
1 1 1   21   11    0 o  103.992   4.9478   73.634   6.9385   64.869   9.7616   82.584   9.8642   97.708   7.3724  110.276   6.6009 -12.56789 9.895602 
1 1 1   21   11    1 o  189.248   6.0189  243.141   13.852  244.627   26.230  242.566   16.313  189.491   10.215  189.006   6.3689 0.4844818 12.03772 
1 1 1   21   11    2 o  303.557   7.0788  626.025   29.119   0.0000   0.0000  626.025   29.119  ?   ?   303.557   7.0788      ?      ? 
1 1 1   21   11    3 o  211.851   5.2144  306.975   14.557  296.247   23.285  313.858   18.652  208.717   8.2325  214.986   6.4021 -6.269211 10.42890 
1 1 1   21   11    4 o  268.193   5.6102  495.904   19.760  459.415   31.506  519.564   25.370  259.821   8.9483  276.566   6.7692 -16.74429 11.22030 
1 1 1   21   11    5 o  328.633   6.0620  740.230   26.044  713.488   42.484  756.331   32.965  323.657   9.6862  333.609   7.2917 -9.951599 12.12403 
1 1 1   21   11    6 o  243.466   10.647  404.211   35.129   0.0000   0.0000  404.211   35.129  ?   ?   243.466   10.647      ?      ? 
1 1 1   21   11    7 o  161.382   6.6885  185.794   13.388  200.918   16.370  155.250   23.265  171.956   7.0252  150.808   11.384 21.14774 13.37706 
1 1 1   21   11    8 o  174.897   10.578  208.620   25.070   0.0000   0.0000  208.620   25.070  ?   ?   174.897   10.578      ?      ? 
1 1 1   21   11    9 o  143.882   7.6889  141.353   14.948  142.530   20.429  139.997   21.932  144.567   10.428  143.197   11.302 1.370712 15.37779 
1 1 1   21   11   10 o  160.941   7.3531  175.643   15.984  164.360   21.562  189.406   23.815  155.252   10.249  166.631   10.547 -11.37856 14.70610 
1 1 1   21   11   11 f  165.778   7.2995  188.356   16.296  197.581   22.194  177.566   24.003  170.275   9.6186  161.281   10.982 8.994919 14.59893 
1 1 1   21   11   12 o   50.138   10.454   15.026   9.4600   31.449   12.597  -6.2163   14.326   66.442   14.406   33.834   15.154 32.60752 20.90865 
1 1 1   21   11   13 o  208.916   7.1346  298.442   20.102  306.479   27.352  289.002   29.644  212.058   9.5181  205.775   10.631 6.283157 14.26920 
1 1 1   21   11   14 o  187.685   7.2357  242.442   18.217  276.572   25.452  206.596   26.084  201.457   9.3232  173.913   11.068 27.54379 14.47136 
1 1 1   21   11   15 o  223.385   10.557  340.657   31.957   0.0000   0.0000  340.657   31.957  ?   ?   223.385   10.557      ?      ? 
1 1 1   21   11   17 o  298.463   10.220  608.032   41.335  608.032   41.335   0.0000   0.0000  298.463   10.220  ?   ?       ?      ? 
1 1 1   21   11   18 o  240.064   7.1898  392.293   23.277  382.615   31.251  404.353   34.885  236.821   9.7378  243.306   10.580 -6.484955 14.37953 
1 1 1   21   11   19 o   91.233   9.3285   55.742   11.366   49.345   14.631   65.476   18.049   84.832   12.727   97.633   13.642 -12.80116 18.65690 
1 1 1   21   11   20 o  125.557   8.0420  110.604   13.318  125.487   17.768   91.525   20.119  135.610   9.6688  115.504   12.853 20.10629 16.08407 
1 1 1   21   11   21 o  189.643   9.5163  245.392   24.456  245.392   24.456   0.0000   0.0000  189.643   9.5163  ?   ?       ?      ? 
1 1 1   21   11   22 o  198.822   9.6734  269.830   26.063  269.830   26.063   0.0000   0.0000  198.822   9.6734  ?   ?       ?      ? 
1 1 1   21   11   23 o  200.602   9.5740  274.690   26.026  274.690   26.026   0.0000   0.0000  200.602   9.5740  ?   ?       ?      ? 
1 1 1   21   11   24 o  213.284   7.2121  311.081   20.663  312.344   27.502  309.444   31.311  213.905   9.4876  212.664   10.865 1.241257 14.42427 
1 1 1   21   11   25 f  181.815   7.1628  225.775   17.455  224.827   23.028  227.055   26.761  181.482   9.3637  182.149   10.842 -0.6673584 14.32550 
1 1 1   21   11   26 o  126.998   7.6785  106.966   12.947   94.238   16.422  127.876   21.048  117.387   10.323  136.608   11.370 -19.22082 15.35699 
1 1 1   21   11   27 f  135.845   7.7052  129.206   13.811  142.740   18.228  110.964   21.162  144.581   9.3033  127.110   12.285 17.47014 15.41040 
1 1 1   21   11   28 o  181.678   7.1742  227.193   17.459  236.310   23.287  215.489   26.385  186.014   9.2381  177.342   10.979 8.671631 14.34849 
1 1 1   21   11   29 o  228.502   7.0799  351.043   21.707  314.414   28.371  402.759   33.711  214.428   9.7638  242.576   10.255 -28.14818 14.15986 
1 1 1   21   11   30 o  167.457   7.1300  193.653   16.016  208.170   21.722  176.360   23.708  174.540   9.1840  160.374   10.909 14.16576 14.25997 
1 1 1   21   11   31 o   95.451   8.8435   64.497   11.082   72.583   14.625   53.592   16.984  102.905   10.488   87.998   14.242 14.90688 17.68691 
1 1 1   21   11   32 o  206.303   6.9968  293.545   19.406  313.517   26.455  270.277   28.554  214.121   9.1171  198.486   10.616 15.63570 13.99354 
1 1 1   21   11   33 o  153.630   7.1294  162.544   14.679  167.128   19.533  156.598   22.248  156.277   9.2236  150.983   10.874 5.293930 14.25880 
1 1 1   21   11   34 o   82.364   9.2836   60.875   6.7831   67.373   7.4828   30.923   16.065   99.526   5.5481   65.201   17.719 34.32552 18.56727 
1 1 1   21   11   35 o  155.467   5.7939  145.456   10.258  131.027   11.462  203.543   22.997  138.719   6.0972  172.215   9.8539 -33.49628 11.58771 
1 1 1   21   11   36 o  119.880   6.3706   98.021   7.1531   97.838   7.7082   99.155   19.197  119.973   4.7412  119.786   11.826 0.1874313 12.74129 
1 1 1   21   11   37 o  163.378   6.3934  204.669   10.191  216.204   11.261  152.490   23.950  178.335   4.6596  148.421   11.907 29.91417 12.78671 
1 1 1   21   11   38 o  138.905   6.0107  119.273   9.6173  108.982   10.821  157.976   20.985  126.411   6.3167  151.399   10.228 -24.98865 12.02139 
1 1 1   21   11   39 o  118.790   11.512   97.848   18.531   0.0000   0.0000   97.848   18.531  ?   ?   118.790   11.512      ?      ? 
1 1 1   21   11   40 o  168.658   6.7166  204.398   14.536  229.445   18.597  165.073   23.303  183.043   7.4975  154.273   11.146 28.77031 13.43328 
1 1 1   21   11   41 o  105.805   7.2212   85.458   8.2787   92.218   9.4843   63.824   16.967  116.230   6.0215   95.380   13.127 20.85061 14.44245 
1 1 1   21   11   42 o  167.597   4.3170  192.075   9.7942  197.135   13.662  186.725   14.048  169.908   5.9335  165.286   6.2720 4.621841 8.633930 
1 1 1   21   11   43 o   55.313   6.6568   21.910   4.6756   12.676   6.4076   32.426   6.8380   41.892   11.107   68.734   7.3413 -26.84292 13.31370 
1 1 1   21   11   44 o   89.726   6.5953   58.600   7.1870   49.002   12.902   62.918   8.6540   83.641   11.383   95.810   6.6653 -12.16951 13.19069 
1 1 1   21   11   45 o  134.966   5.5281  121.801   9.5270  136.780   16.931  114.861   11.525  140.520   8.8914  129.413   6.5715 11.10683 11.05629 
1 1 1   21   11   46 o  125.725   4.6927  106.284   7.7920   76.943   10.303  145.485   11.909  105.728   7.1913  145.721   6.0310 -39.99361 9.385471 
1 1 1   21   11   47 o  145.378   5.1640  149.215   9.7467  159.767   12.418  132.286   15.729  152.643   6.0033  138.113   8.4041 14.53000 10.32808 
1 1 1   21   11   48 o  119.541   5.1226   95.991   8.0930   87.432   10.192  110.594   13.313  112.693   6.6741  126.389   7.7731 -13.69530 10.24527 
1 1 1   21   11   49 o   59.616   6.5948   25.717   5.0083   34.041   7.1517   17.706   7.0159   70.108   7.5276   49.124   10.831 20.98458 13.18963 
1 1 1   21   11   50 o   64.912   6.0065   29.416   5.1883   22.607   7.1293   37.084   7.5648   56.739   9.2721   73.084   7.6382 -16.34428 12.01310 
1 1 1   21   11   51 o   58.834   6.6156   25.097   5.0525   28.952   6.9549   20.790   7.3522   64.439   7.9644   53.228   10.566 11.21196 13.23125 
1 1 1   21   11   52 o   51.440   7.1680   19.349   4.8784   22.218   6.7845   16.278   7.0196   56.171   8.9130   46.709   11.229 9.462620 14.33606 
1 1 1   21   11   53 o   87.470   5.2830   52.979   6.2244   45.535   8.4441   61.836   9.2111   80.706   7.7208   94.234   7.2131 -13.52793 10.56593 
1 1 1   21   11   54 o   39.554   9.8866   3.9855   7.4873  -6.5578   9.2816   23.630   12.669   24.788   11.510   54.320   16.078 -29.53128 19.77327 
1 1 1   21   11   55 o   44.184   10.806   13.015   7.8183   8.0694   9.8274   21.543   12.904   36.594   14.074   51.774   16.401 -15.18076 21.61126 
1 1 1   21   11   56 o   82.890   9.3138   52.501   9.9303   53.875   12.849   50.462   15.648   85.881   11.041   79.899   15.003 5.981934 18.62759 
1 1 1   21   11   57 o   52.790   11.003   21.648   8.2966   17.305   10.586   28.566   13.359   46.779   14.858   58.801   16.232 -12.02169 22.00562 
1 1 1   21   11   58 o   38.539   15.183   9.0751   11.659   0.0000   0.0000   9.0751   11.659  ?   ?    38.539   15.183      ?      ? 
1 1 1   21   11   59 o   81.463   13.154   50.701   14.522   0.0000   0.0000   50.701   14.522  ?   ?    81.463   13.154      ?      ? 
1 1 1   21   11   60 o   32.577   14.137   1.8048   11.571   0.0000   0.0000   1.8048   11.571  ?   ?    32.577   14.137      ?      ? 
1 1 1   21   11   61 o   41.815   15.596   13.034   11.855   0.0000   0.0000   13.034   11.855  ?   ?    41.815   15.596      ?      ? 
1 1 1   21   11   62 o   32.103   13.877   2.2689   11.063   0.0000   0.0000   2.2689   11.063  ?   ?    32.103   13.877      ?      ? 
1 1 1   21   11   63 o   64.360   15.686   35.279   13.556   0.0000   0.0000   35.279   13.556  ?   ?    64.360   15.686      ?      ? 
1 1 1   21   12    0 o  130.080   4.7015  114.826   8.2795  107.874   11.512  122.274   11.916  126.001   6.7421  134.158   6.5545 -8.156784 9.403053 
1 1 1   21   12    1 o  289.711   4.9227  570.387   19.321  569.266   27.000  571.563   27.660  289.429   6.8840  289.993   7.0386 -0.5639954 9.845428 
1 1 1   21   12    2 o  258.822   4.7584  453.978   16.667  430.862   22.865  480.183   24.345  251.814   6.7006  265.830   6.7581 -14.01579 9.516804 
1 1 1   21   12    3 o  130.385   4.6926  115.354   8.2830  112.189   11.409  118.882   12.045  128.501   6.5515  132.269   6.7200 -3.768524 9.385177 
1 1 1   21   12    4 o  225.973   5.9249  349.484   16.844  342.323   29.875  352.821   20.394  224.074   9.8386  227.872   6.6045 -3.798523 11.84975 
1 1 1   21   12    5 o  241.038   4.6392  394.399   15.142  385.832   20.927  403.811   21.936  238.302   6.4803  243.774   6.6404 -5.472382 9.278385 
1 1 1   21   12    6 o  236.644   6.2305  371.746   17.547  361.672   20.285  401.686   34.971  230.715   6.4882  242.574   10.639 -11.85855 12.46098 
1 1 1   21   12    7 o  270.555   6.3410  499.981   20.679  501.572   24.257  495.748   39.564  271.680   6.5885  269.430   10.836 2.250183 12.68194 
1 1 1   21   12    8 f  129.678   6.5695  115.281   7.8537  115.528   8.4442  113.697   21.378  130.475   4.7758  128.880   12.240 1.595245 13.13894 
1 1 1   21   12    9 o  327.447   6.3262  722.721   22.473  717.547   25.095  743.670   50.495  325.058   5.6970  329.836   11.297 -4.778656 12.65234 
1 1 1   21   12   10 o  319.701   6.7154  694.690   25.876  692.022   30.298  701.881   49.743  319.031   7.0080  320.371   11.458 -1.340393 13.43087 
1 1 1   21   12   11 o  274.535   10.138  514.450   37.717  514.450   37.717   0.0000   0.0000  274.535   10.138  ?   ?       ?      ? 
1 1 1   21   12   12 o  182.702   9.7314  227.737   24.094  227.737   24.094   0.0000   0.0000  182.702   9.7314  ?   ?       ?      ? 
1 1 1   21   12   13 o   75.426   14.392   40.394   14.173   40.394   14.173   0.0000   0.0000   75.426   14.392  ?   ?       ?      ? 
1 1 1   21   12   14 o  133.058   10.291  120.923   18.556  120.923   18.556   0.0000   0.0000  133.058   10.291  ?   ?       ?      ? 
1 1 1   21   12   15 o  180.374   7.6096  227.160   18.197  263.894   24.810  184.398   26.769  196.694   9.3080  164.053   12.041 32.64098 15.21922 
1 1 1   21   12   16 o  198.552   7.3142  271.277   19.532  292.018   26.752  247.602   28.582  206.861   9.5433  190.244   11.087 16.61682 14.62841 
1 1 1   21   12   17 o  204.091   7.3345  282.450   20.163  265.689   26.802  304.304   30.605  197.227   10.028  210.955   10.706 -13.72823 14.66893 
1 1 1   21   12   18 o  165.639   7.6074  189.297   16.921  206.301   23.174  169.877   24.766  173.804   9.8390  157.475   11.605 16.32973 15.21471 
1 1 1   21   12   19 o   71.294   12.408   36.661   11.857   36.583   15.919   36.757   17.771   71.262   16.765   71.325   18.297 -0.6272125E-01 24.81595 
1 1 1   21   12   20 o   95.115   15.755   62.596   20.307   0.0000   0.0000   62.596   20.307  ?   ?    95.115   15.755      ?      ? 
1 1 1   21   12   21 o  175.641   9.6399  210.723   22.945  210.723   22.945   0.0000   0.0000  175.641   9.6399  ?   ?       ?      ? 
1 1 1   21   12   22 o  164.938   7.5068  189.702   16.449  213.119   22.168  161.015   24.536  176.675   9.2592  153.201   11.818 23.47464 15.01355 
1 1 1   21   12   23 o  187.637   7.2110  241.655   18.176  247.566   24.334  234.196   27.336  190.370   9.4328  184.904   10.909 5.465271 14.42190 
1 1 1   21   12   24 o  114.250   8.3672   87.890   12.668   81.893   16.077   97.711   20.573  109.328   10.851  119.171   12.739 -9.843521 16.73434 
1 1 1   21   12   25 o   98.786   9.0233   66.957   11.800   66.144   15.112   68.228   18.888   98.181   11.358   99.390   14.024 -1.209000 18.04658 
1 1 1   21   12   26 o  172.328   7.2174  203.756   16.661  206.084   22.035  200.648   25.459  173.623   9.3652  171.032   10.984 2.590607 14.43484 
1 1 1   21   12   27 o  195.698   7.1044  259.591   18.669  243.600   24.511  281.683   28.811  188.688   9.5859  202.708   10.488 -14.02005 14.20886 
1 1 1   21   12   28 o  172.038   7.3513  206.836   16.802  238.626   22.946  170.089   24.671  186.810   9.0643  157.267   11.576 29.54326 14.70259 
1 1 1   21   12   29 o  174.958   7.1184  209.181   16.735  204.722   22.168  215.090   25.518  172.917   9.4602  176.998   10.639 -4.081161 14.23674 
1 1 1   21   12   30 o  115.472   8.2690   93.414   12.553   99.201   16.229   84.797   19.804  120.263   9.9582  110.682   13.204 9.581200 16.53790 
1 1 1   21   12   31 o   76.503   10.598   41.774   10.463   42.469   13.320   40.653   16.909   78.365   12.543   74.640   17.086 3.724846 21.19563 
1 1 1   21   12   32 o  138.210   7.5062  129.625   13.885  120.470   18.032  142.965   21.765  132.410   10.049  144.011   11.153 -11.60139 15.01244 
1 1 1   21   12   33 o   82.432   15.696   49.155   16.893   0.0000   0.0000   49.155   16.893  ?   ?    82.432   15.696      ?      ? 
1 1 1   21   12   34 o  120.340   7.0074  101.225   9.9046  102.892   11.503   96.442   19.479  122.763   6.9142  117.916   12.190 4.846336 14.01471 
1 1 1   21   12   35 o   51.765   9.4243   20.752   5.3186   21.976   5.7137   12.812   14.556   56.684   7.4384   46.845   17.319 9.838436 18.84865 
1 1 1   21   12   36 o   70.984   9.2391   42.023   5.0351   43.593   5.3138   28.219   15.756   80.035   4.8994   61.933   17.817 18.10209 18.47817 
1 1 1   21   12   37 o   49.964   9.3337   13.725   4.0604   12.908   4.2325   23.160   14.386   43.427   7.1921   56.501   17.226 -13.07351 18.66735 
1 1 1   21   12   38 o   77.404   7.1491   31.202   5.0872   28.168   5.3721   57.551   15.832   64.219   6.1730   90.588   12.897 -26.36865 14.29822 
1 1 1   21   12   39 o   73.732   9.1046   41.001   5.3670   41.592   5.6828   36.118   16.328   78.093   5.3699   69.371   17.399 8.722672 18.20912 
1 1 1   21   12   40 o   51.577   9.4108   20.868   5.2900   22.071   5.6757   12.903   14.600   56.697   7.3872   46.457   17.311 10.23970 18.82161 
1 1 1   21   12   41 o   51.680   10.061   17.069   5.3032   16.347   5.6466   22.468   15.442   47.864   9.0368   55.496   17.979 -7.631481 20.12271 
1 1 1   21   12   42 o   72.483   6.0095   35.964   5.9028   35.964   5.9028   0.0000   0.0000   72.483   6.0095  ?   ?       ?      ? 
1 1 1   21   12   43 o   52.716   7.2018   19.129   5.1447   19.129   5.1447   0.0000   0.0000   52.716   7.2018  ?   ?       ?      ? 
1 1 1   21   12   44 o   39.385   7.9938   13.085   4.6025   15.893   4.9100  -7.2508   13.213   47.979   7.5518   30.791   14.092 17.18735 15.98762 
1 1 1   21   12   45 o   98.532   7.2348   63.241   8.2981   58.844   9.4178   78.501   17.546   92.257   7.5330  104.807   12.354 -12.54968 14.46969 
1 1 1   21   12   46 o   74.168   9.9322   36.549   9.4382   24.659   11.548   60.472   16.381   56.907   14.826   91.429   13.221 -34.52177 19.86437 
1 1 1   21   12   47 o   27.602   7.4012   4.0506   3.8122   3.6898   5.4045   4.4078   5.3780   27.124   10.435   28.080   10.498 -0.9556351 14.80243 
1 1 1   21   12   48 o   45.517   7.3256   15.245   4.4163   14.972   6.1796   15.529   6.3139   45.102   10.332   45.932   10.387 -0.8297462 14.65111 
1 1 1   21   12   49 o   41.594   7.3439   12.412   4.4332   5.8207   6.0688   19.954   6.4916   30.763   11.213   52.425   9.4868 -21.66163 14.68790 
1 1 1   21   12   50 o   37.488   10.186   7.9701   7.6159   12.448   9.3792  -0.6966   13.048   41.450   14.031   33.525   14.769 7.924492 20.37158 
1 1 1   21   12   51 o   90.197   8.6138   58.940   10.274   56.341   13.065   63.151   16.630   88.302   10.918   92.092   13.326 -3.790451 17.22758 
1 1 1   21   12   52 o   76.268   10.157   45.906   9.8407   49.415   12.518   40.229   15.921   82.387   11.212   70.150   16.940 12.23653 20.31433 
1 1 1   21   12   53 o  133.340   11.622  130.658   20.999   0.0000   0.0000  130.658   20.999  ?   ?   133.340   11.622      ?      ? 
1 1 1   21   12   54 o   77.330   15.382   47.833   15.551   0.0000   0.0000   47.833   15.551  ?   ?    77.330   15.382      ?      ? 
1 1 1   21   12   55 o   44.157   16.577   14.239   13.437   0.0000   0.0000   14.239   13.437  ?   ?    44.157   16.577      ?      ? 
1 1 1   21   12   56 o   57.791   16.793   28.211   13.935   0.0000   0.0000   28.211   13.935  ?   ?    57.791   16.793      ?      ? 
1 1 1   21   12   57 o   37.045   14.998   7.5148   11.696   0.0000   0.0000   7.5148   11.696  ?   ?    37.045   14.998      ?      ? 
1 1 1   21   12   58 o   32.954   14.180   2.6120   11.447   0.0000   0.0000   2.6120   11.447  ?   ?    32.954   14.180      ?      ? 
1 1 1   21   12   59 o   50.945   16.193   21.984   12.571   0.0000   0.0000   21.984   12.571  ?   ?    50.945   16.193      ?      ? 
1 1 1   21   13    0 o  247.706   5.6168  423.985   18.151  443.091   23.064  392.899   29.419  255.314   6.6661  240.097   9.0419 15.21713 11.23355 
1 1 1   21   13    1 o  142.264   7.2332  147.013   11.475  154.720   13.156  122.496   23.465  150.884   6.4342  133.643   12.957 17.24095 14.46639 
1 1 1   21   13    2 o  138.098   4.7447  129.378   8.8665  124.862   12.150  134.524   12.969  135.532   6.6151  140.665   6.8035 -5.133240 9.489320 
1 1 1   21   13    3 o  118.928   4.8665   95.823   7.8263   87.868   10.735  104.848   11.434  113.673   6.9689  124.183   6.7944 -10.50934 9.732924 
1 1 1   21   13    4 o  123.626   4.7809  103.519   7.9928   95.235   10.951  112.962   11.692  118.349   6.8283  128.902   6.6935 -10.55336 9.561826 
1 1 1   21   13    5 o  119.570   4.8459   97.211   7.8443   97.085   10.852   97.348   11.352  119.498   6.7015  119.641   7.0016 -0.1429977 9.691867 
1 1 1   21   13    6 o  143.979   6.6338  137.527   10.856  134.400   12.292  148.619   23.150  140.615   6.4507  147.344   11.594 -6.729431 13.26770 
1 1 1   21   13    7 o  206.704   6.3009  291.559   15.224  291.828   17.556  290.744   30.573  207.218   6.2518  206.190   10.942 1.028641 12.60179 
1 1 1   21   13    8 o  150.521   6.4983  149.479   10.987  145.668   12.373  163.695   23.895  146.400   6.2364  154.642   11.402 -8.242172 12.99651 
1 1 1   21   13    9 o  209.747   6.3321  309.678   15.627  320.367   18.244  280.224   30.284  217.111   6.2008  202.382   11.042 14.72893 12.66420 
1 1 1   21   13   10 o  185.781   6.4318  254.033   11.790  263.682   12.983  208.643   28.160  197.083   4.8611  174.479   11.910 22.60324 12.86352 
1 1 1   21   13   11 o  325.456   6.4059  723.989   22.656  724.987   25.370  720.057   50.349  326.665   5.7310  324.246   11.459 2.419098 12.81184 
1 1 1   21   13   12 o  167.647   6.1593  186.783   10.053  184.706   10.892  198.725   26.117  164.943   4.8730  170.350   11.314 -5.406662 12.31852 
1 1 1   21   13   13 o  212.246   6.2148  289.247   15.267  274.032   17.313  342.438   32.371  200.761   6.3638  223.730   10.677 -22.96935 12.42958 
1 1 1   21   13   14 o  164.550   6.5073  185.188   11.848  185.476   13.353  184.124   25.692  165.197   5.9647  163.903   11.567 1.293991 13.01470 
1 1 1   21   13   15 o  207.286   6.1821  291.039   14.864  289.135   17.047  297.081   30.364  206.236   6.0995  208.335   10.755 -2.099197 12.36429 
1 1 1   21   13   16 o  221.409   7.2619  335.209   21.684  334.349   29.258  336.257   32.300  221.194   9.7607  221.623   10.755 -0.4292603 14.52371 
1 1 1   21   13   17 o  110.520   8.7912   85.807   12.810   94.482   16.866   73.980   19.692  117.482   10.594  103.559   14.032 13.92294 17.58240 
1 1 1   21   13   18 o  107.651   8.7479   79.000   12.564   76.086   16.263   83.315   19.787  105.325   11.394  109.978   13.277 -4.652336 17.49587 
1 1 1   21   13   19 o  126.189   8.1669  106.342   13.768   91.477   17.766  128.695   21.786  115.473   11.354  136.905   11.743 -21.43182 16.33389 
1 1 1   21   13   20 o  193.350   7.3617  258.456   19.061  275.976   25.647  236.838   28.489  200.927   9.4191  185.773   11.316 15.15401 14.72348 
1 1 1   21   13   21 o  155.795   7.6079  168.408   15.781  179.164   20.898  154.137   24.073  161.851   9.5280  149.739   11.863 12.11243 15.21584 
1 1 1   21   13   22 o  103.656   8.7760   74.608   12.071   77.256   15.729   70.813   18.825  106.100   10.940  101.211   13.726 4.888794 17.55202 
1 1 1   21   13   23 o  147.468   7.6937  144.441   15.120  117.988   19.504  184.286   23.937  131.079   10.980  163.857   10.780 -32.77815 15.38744 
1 1 1   21   13   24 o   97.719   14.765   66.348   19.553   0.0000   0.0000   66.348   19.553  ?   ?    97.719   14.765      ?      ? 
1 1 1   21   13   25 o  134.908   10.299  124.919   18.828  124.919   18.828   0.0000   0.0000  134.908   10.299  ?   ?       ?      ? 
1 1 1   21   13   26 o  104.305   13.730   75.504   19.407   0.0000   0.0000   75.504   19.407  ?   ?   104.305   13.730      ?      ? 
1 1 1   21   13   27 o  119.681   12.139   98.994   19.687   0.0000   0.0000   98.994   19.687  ?   ?   119.681   12.139      ?      ? 
1 1 1   21   13   28 o  114.697   12.648   91.190   19.659   0.0000   0.0000   91.190   19.659  ?   ?   114.697   12.648      ?      ? 
1 1 1   21   13   29 o  111.377   8.3932   84.942   12.526   80.091   16.348   91.840   19.494  107.695   11.201  115.059   12.502 -7.364044 16.78645 
1 1 1   21   13   30 o  119.146   7.9838   95.833   12.635   87.166   16.070  109.863   20.447  112.413   10.549  125.879   11.986 -13.46587 15.96763 
1 1 1   21   13   31 o   68.270   11.320   32.692   10.043   27.694   12.604   41.387   16.623   61.541   15.202   74.999   16.776 -13.45795 22.63924 
1 1 1   21   13   32 o  106.313   8.7781   71.508   11.916   46.452   14.710  119.330   20.322   81.482   13.322  131.144   11.435 -49.66160 17.55627 
1 1 1   21   13   33 o  103.248   7.1928   68.878   7.5617   66.536   8.2439   81.296   18.984   98.728   6.1618  107.768   12.999 -9.039383 14.38562 
1 1 1   21   13   34 o   91.226   7.2487   48.029   6.7345   43.787   7.2725   73.557   17.842   80.014   6.7071  102.438   12.853 -22.42396 14.49747 
1 1 1   21   13   35 o   44.829   8.9907   14.546   3.5363   14.935   3.6418   8.1320   14.802   46.776   5.7452   42.881   17.039 3.895222 17.98142 
1 1 1   21   13   36 o  105.281   4.7665   75.511   6.8003   75.511   6.8003   0.0000   0.0000  105.281   4.7665  ?   ?       ?      ? 
1 1 1   21   13   37 o  167.117   4.7198  190.315   10.689  190.315   10.689   0.0000   0.0000  167.117   4.7198  ?   ?       ?      ? 
1 1 1   21   13   38 o   81.169   8.0996   43.089   5.3745   42.066   5.6749   51.994   16.740   78.485   5.3356   83.853   15.295 -5.367882 16.19914 
1 1 1   21   13   39 o   92.397   7.0026   44.795   7.0391   36.582   7.6740   88.364   17.674   72.827   7.7758  111.967   11.648 -39.13966 14.00529 
1 1 1   21   13   40 o   64.510   9.3195   28.810   6.0838   28.080   6.6422   32.616   15.159   63.777   7.6853   65.243   16.981 -1.465374 18.63906 
1 1 1   21   13   41 o   92.077   7.2311   54.799   7.2482   51.827   8.0319   67.840   16.823   86.767   6.8310   97.386   12.747 -10.61931 14.46213 
1 1 1   21   13   42 o   53.775   9.2376   14.525   4.5756   12.382   4.8252   33.652   14.415   41.409   8.8662   66.141   16.209 -24.73246 18.47526 
1 1 1   21   13   43 o   30.986   9.1511   2.9097   4.1329   2.7312   4.3472   4.5872   13.329   24.104   9.3352   37.868   15.742 -13.76369 18.30220 
1 1 1   21   13   44 o   49.088   8.9705   20.141   4.9271   21.640   5.2774   9.9631   13.753   55.941   6.9616   42.236   16.535 13.70504 17.94094 
1 1 1   21   13   45 o   56.185   9.8227   19.080   6.4902   14.486   7.3075   36.240   14.123   44.064   11.940   68.306   15.600 -24.24250 19.64547 
1 1 1   21   13   46 o  110.923   8.0422   89.457   11.881   94.194   15.732   83.168   18.126  115.077   10.088  106.769   12.527 8.307831 16.08430 
1 1 1   21   13   47 o   77.437   9.9676   46.109   9.9144   48.833   12.818   42.052   15.642   82.089   11.523   72.785   16.268 9.303246 19.93524 
1 1 1   21   13   48 o   57.881   11.281   26.825   8.9855   27.154   11.382   26.282   14.639   58.943   14.378   56.818   17.387 2.125099 22.56200 
1 1 1   21   13   49 o   55.380   17.335   25.097   14.457   0.0000   0.0000   25.097   14.457  ?   ?    55.380   17.335      ?      ? 
1 1 1   21   13   50 f   61.324   17.699   31.551   15.525   0.0000   0.0000   31.551   15.525  ?   ?    61.324   17.699      ?      ? 
1 1 1   21   13   51 o   98.091   13.134   72.555   17.459   0.0000   0.0000   72.555   17.459  ?   ?    98.091   13.134      ?      ? 
1 1 1   21   13   52 o   39.970   16.309   8.6960   13.958   0.0000   0.0000   8.6960   13.958  ?   ?    39.970   16.309      ?      ? 
1 1 1   21   13   53 o   75.299   15.796   46.285   15.604   0.0000   0.0000   46.285   15.604  ?   ?    75.299   15.796      ?      ? 
1 1 1   21   13   54 o   37.230   15.466   6.5172   12.850   0.0000   0.0000   6.5172   12.850  ?   ?    37.230   15.466      ?      ? 
1 1 1   21   14    0 o  142.980   5.0324  138.931   9.7401  130.149   13.539  148.354   14.023  138.293   7.2243  147.668   7.0076 -9.374527 10.06470 
1 1 1   21   14    1 o  206.290   4.7827  289.003   13.360  277.126   18.466  302.046   19.352  201.852   6.7508  210.729   6.7766 -8.876999 9.565320 
1 1 1   21   14    2 o  118.614   5.2963   95.629   8.4632   82.128   11.694  110.479   12.264  109.809   7.8585  127.420   7.1025 -17.61115 10.59252 
1 1 1   21   14    3 o  170.355   4.7859  197.961   11.007  216.742   15.522  178.964   15.611  178.539   6.4156  162.171   7.1035 16.36842 9.571775 
1 1 1   21   14    4 o  157.979   6.8054  173.758   12.442  176.962   14.348  164.040   24.988  161.309   6.5635  154.650   11.924 6.658691 13.61071 
1 1 1   21   14    5 o  227.250   6.6033  364.692   17.881  379.374   21.052  326.661   33.881  236.177   6.5776  218.323   11.452 17.85452 13.20652 
1 1 1   21   14    6 o  250.625   4.8574  427.209   16.484  423.291   22.822  431.482   23.836  249.442   6.7515  251.808   6.9853 -2.366241 9.714775 
1 1 1   21   14    7 o  139.421   6.7459  139.692   9.0089  142.789   9.8124  123.075   22.732  145.006   4.9935  133.836   12.534 11.17018 13.49178 
1 1 1   21   14    8 o  140.134   6.7704  131.533   10.871  129.290   12.368  139.153   22.795  137.861   6.6200  142.407   11.812 -4.545593 13.54086 
1 1 1   21   14    9 o  159.932   6.4751  187.159   10.168  193.461   11.171  156.707   24.555  168.788   4.8839  151.076   11.994 17.71176 12.95026 
1 1 1   21   14   10 o  187.887   6.4780  250.792   14.039  260.478   16.256  222.358   27.851  195.723   6.1289  180.052   11.415 15.67102 12.95595 
1 1 1   21   14   11 o   46.270   10.711   12.037   5.9645   11.002   6.4499   18.149   15.672   39.606   11.401   52.934   18.136 -13.32806 21.42231 
1 1 1   21   14   12 o   56.865   10.108   23.332   6.3561   24.042   6.9317   19.583   15.931   59.351   8.6185   54.379   18.287 4.971058 20.21654 
1 1 1   21   14   13 f   67.181   9.9025   41.882   5.7877   44.989   6.1396   17.089   17.343   81.358   5.5688   53.005   19.006 28.35262 19.80508 
1 1 1   21   14   14 o  171.350   6.6367  224.313   11.063  236.694   12.210  167.550   26.143  186.678   4.8264  156.022   12.365 30.65666 13.27343 
1 1 1   21   14   15 o  272.456   6.2185  510.886   17.922  513.203   19.916  501.019   41.101  274.794   5.3482  270.118   11.228 4.676575 12.43704 
1 1 1   21   14   16 o   95.898   9.4952   83.604   7.0122   90.197   7.5570   42.763   18.808  115.229   4.8396   76.568   18.363 38.66076 18.99039 
1 1 1   21   14   17 o   90.707   7.5581   53.668   5.9856   52.837   6.3520   60.258   17.881   88.165   5.3166   93.249   14.150 -5.083855 15.11628 
1 1 1   21   14   18 o   63.329   9.9172   29.179   5.2331   29.485   5.4952   26.195   17.149   65.820   6.1609   60.838   18.853 4.982346 19.83446 
1 1 1   21   14   19 o  163.585   6.1910  174.401   10.596  169.704   11.649  196.910   25.502  157.973   5.4415  169.197   11.122 -11.22331 12.38205 
1 1 1   21   14   20 o   89.318   9.1658   58.124   8.4359   59.556   9.4601   52.563   18.641   93.421   7.4726   85.215   16.739 8.205345 18.33151 
1 1 1   21   14   21 f  174.392   6.7258  221.605   13.062  232.956   14.967  185.331   26.756  184.981   5.9707  163.802   12.054 21.17891 13.45154 
1 1 1   21   14   22 o  162.672   6.4410  179.410   11.657  177.933   13.135  184.883   25.292  161.644   5.9965  163.700   11.401 -2.056076 12.88205 
1 1 1   21   14   23 o  128.655   8.1749  116.007   13.991  125.530   18.622  103.665   21.200  135.086   10.173  122.224   12.800 12.86153 16.34987 
1 1 1   21   14   24 o  132.018   7.9652  118.117   14.064  106.985   18.189  134.663   22.176  124.540   10.778  139.496   11.731 -14.95639 15.93036 
1 1 1   21   14   25 o  109.617   8.8025   85.250   12.754   94.793   16.955   72.812   19.357  117.193   10.676  102.041   13.998 15.15160 17.60504 
1 1 1   21   14   26 o   92.084   9.4387   59.481   11.524   60.578   14.930   57.865   18.125   93.440   11.791   90.727   14.742 2.712624 18.87739 
1 1 1   21   14   27 o   91.671   9.1680   58.206   11.247   55.768   14.663   61.689   17.530   89.538   12.085   93.804   13.790 -4.266594 18.33603 
1 1 1   21   14   28 o   53.719   18.377   19.674   16.090   0.0000   0.0000   19.674   16.090  ?   ?    53.719   18.377      ?      ? 
1 1 1   21   14   29 o   76.218   6.6805   39.721   6.9000   39.721   6.9000   0.0000   0.0000   76.218   6.6805  ?   ?       ?      ? 
1 1 1   21   14   30 o   38.904   9.4492   10.863   4.9322   10.863   4.9322   0.0000   0.0000   38.904   9.4492  ?   ?       ?      ? 
1 1 1   21   14   32 o  126.554   6.7788  112.020   8.9720  112.656   9.9478  109.249   20.772  128.428   5.7159  124.680   12.294 3.748131 13.55768 
1 1 1   21   14   33 o   50.700   9.5755   12.778   3.8015   11.822   3.9227   27.538   15.414   40.884   7.3505   60.517   17.684 -19.63300 19.15105 
1 1 1   21   14   34 o   46.030   9.1067   14.257   3.7556   14.323   3.8950   13.383   14.166   45.725   6.2860   46.335   17.094 -0.6097145 18.21346 
1 1 1   21   14   35 o   70.453   8.6472   32.934   4.7235   32.290   4.9518   39.438   15.737   68.743   5.3156   72.164   16.457 -3.420578 17.29449 
1 1 1   21   14   36 o   32.603   9.0185   4.5278   3.2740   4.3961   3.3800   6.5310   13.178   25.660   8.4171   39.547   15.953 -13.88795 18.03691 
1 1 1   21   14   37 o   50.091   7.8357   27.207   4.3313   30.662   4.5665  -3.7678   13.673   66.981   5.0309   33.201   14.842 33.78045 15.67147 
1 1 1   21   14   38 o   80.695   9.0516   58.188   5.6969   61.686   6.1004   34.336   15.929   95.026   4.7373   66.363   17.472 28.66358 18.10324 
1 1 1   21   14   39 o   31.355   8.3211   6.0269   4.5371   8.3841   4.8427 -10.8993   12.977   34.132   9.8946   28.578   13.381 5.553915 16.64226 
1 1 1   21   14   40 o   30.291   9.0397   2.6866   4.6330   2.8207   4.9659   1.7857   12.871   25.263   9.9226   35.319   15.113 -10.05547 18.07931 
1 1 1   21   14   41 o   71.111   8.9523   36.787   6.5301   36.509   7.2378   38.005   15.141   72.534   7.3635   69.688   16.320 2.846008 17.90458 
1 1 1   21   14   42 o   51.376   10.842   20.822   8.6789   27.841   11.331   10.859   13.500   60.246   14.124   42.506   16.454 17.73948 21.68453 
1 1 1   21   14   43 o   60.819   16.846   29.666   14.360   0.0000   0.0000   29.666   14.360  ?   ?    60.819   16.846      ?      ? 
1 1 1   21   14   44 o   52.131   17.240   21.458   14.169   0.0000   0.0000   21.458   14.169  ?   ?    52.131   17.240      ?      ? 
1 1 1   21   14   45 o  100.412   13.328   75.262   18.135   0.0000   0.0000   75.262   18.135  ?   ?   100.412   13.328      ?      ? 
1 1 1   21   14   46 o   75.832   16.040   46.126   15.968   0.0000   0.0000   46.126   15.968  ?   ?    75.832   16.040      ?      ? 
1 1 1   21   14   47 o   38.011   16.063   5.2260   14.231   0.0000   0.0000   5.2260   14.231  ?   ?    38.011   16.063      ?      ? 
1 1 1   21   14   48 o   34.303   15.059   0.7493   13.461   0.0000   0.0000   0.7493   13.461  ?   ?    34.303   15.059      ?      ? 
1 1 1   21   14   49 f   38.485   15.945   7.0623   13.609   0.0000   0.0000   7.0623   13.609  ?   ?    38.485   15.945      ?      ? 
1 1 1   21   14   50 o   70.798   15.938   41.222   14.922   0.0000   0.0000   41.222   14.922  ?   ?    70.798   15.938      ?      ? 
1 1 1   21   15    0 o  111.356   5.6503   85.042   8.3807   66.049   11.663  105.316   12.050   98.357   8.7505  124.356   7.1507 -25.99884 11.30059 
1 1 1   21   15    1 o  137.548   5.1032  129.083   9.4946  136.695   13.339  121.265   13.518  141.692   6.9468  133.404   7.4776 8.287628 10.20645 
1 1 1   21   15    2 o  155.558   4.9796  164.452   10.475  150.043   14.490  180.226   15.161  148.417   7.2043  162.699   6.8764 -14.28262 9.959232 
1 1 1   21   15    3 o  112.146   5.4432   85.964   8.2388   94.801   11.651   77.126   11.651  117.961   7.2888  106.330   8.0861 11.63016 10.88634 
1 1 1   21   15    4 o  134.468   5.0691  123.284   9.2173  133.332   13.097  113.423   12.975  139.927   6.9068  129.008   7.4215 10.91890 10.13819 
1 1 1   21   15    5 o  139.539   5.0632  132.517   9.5492  119.781   13.274  146.180   13.748  132.572   7.3884  146.505   6.9248 -13.93373 10.12630 
1 1 1   21   15    6 o  133.609   9.0345  122.034   16.358  122.034   16.358   0.0000   0.0000  133.609   9.0345  ?   ?       ?      ? 
1 1 1   21   15    7 o  174.719   6.5265  210.977   12.611  212.616   14.234  204.997   27.191  176.794   5.9414  172.643   11.622 4.151062 13.05296 
1 1 1   21   15    8 o  177.992   11.387  217.837   27.465   0.0000   0.0000  217.837   27.465  ?   ?   177.992   11.387      ?      ? 
1 1 1   21   15    9 o  153.825   7.3792  166.301   14.484  175.178   17.998  149.984   24.402  160.149   8.2931  147.501   12.208 12.64809 14.75840 
1 1 1   21   15   10 o  156.228   7.2883  164.780   14.498  159.780   17.582  175.401   25.626  152.903   8.4854  159.554   11.852 -6.651108 14.57659 
1 1 1   21   15   11 o  101.424   7.5686   67.862   7.0726   66.863   7.5755   74.646   19.742   99.144   5.6385  103.704   14.048 -4.560410 15.13717 
1 1 1   21   15   12 f   80.400   9.5871   48.728   6.3600   49.686   6.7752   41.625   18.450   85.447   5.8512   75.354   18.260 10.09212 19.17417 
1 1 1   21   15   13 o  116.270   7.0588   89.612   7.6273   88.447   8.1855   97.288   21.014  114.042   5.2966  118.497   13.086 -4.455017 14.11768 
1 1 1   21   15   14 o   78.792   9.7316   47.104   6.2656   48.045   6.6588   39.835   18.508   84.011   5.8489   73.574   18.563 10.43750 19.46312 
1 1 1   21   15   15 f  130.095   6.8084  117.041   8.3095  117.384   8.9688  114.963   22.081  131.386   5.0374  128.804   12.651 2.582184 13.61670 
1 1 1   21   15   16 o  132.156   7.3895  127.430   10.527  132.746   11.895  108.225   22.609  139.563   6.2893  124.748   13.374 14.81541 14.77893 
1 1 1   21   15   17 o   96.216   8.1579   64.586   8.3696   64.964   9.3331   63.032   18.913   97.545   7.0606   94.887   14.709 2.658112 16.31579 
1 1 1   21   15   18 f  109.397   7.5765   82.861   8.8573   83.046   9.8733   82.096   20.047  110.325   6.6040  108.470   13.638 1.854675 15.15306 
1 1 1   21   15   19 o  125.451   6.8170  107.120   7.9568  106.680   8.5603  109.916   21.574  125.211   5.0450  125.690   12.666 -0.4793854 13.63391 
1 1 1   21   15   20 o   89.293   7.6027   43.141   5.9353   40.039   6.2376   72.838   19.300   76.630   6.0067  101.956   13.969 -25.32615 15.20535 
1 1 1   21   15   21 o  137.674   7.3036  142.310   8.7655  146.294   9.4098  116.176   24.102  146.638   4.7354  128.710   13.818 17.92815 14.60721 
1 1 1   21   15   22 o  126.501   5.4806  109.053   9.3952  109.053   9.3952   0.0000   0.0000  126.501   5.4806  ?   ?       ?      ? 
1 1 1   21   15   23 o   81.105   5.2893   44.823   5.8134   44.823   5.8134   0.0000   0.0000   81.105   5.2893  ?   ?       ?      ? 
1 1 1   21   15   24 o  122.386   6.3295  102.353   10.497  102.353   10.497   0.0000   0.0000  122.386   6.3295  ?   ?       ?      ? 
1 1 1   21   15   25 o  117.970   7.7039  110.955   7.6312  115.794   8.1904   79.105   21.013  130.414   4.6345  105.526   14.694 24.88747 15.40771 
1 1 1   21   15   26 o  153.649   6.0124  144.647   8.7855  138.050   9.4075  189.648   24.570  142.339   4.8772  164.960   10.991 -22.62082 12.02470 
1 1 1   21   15   27 o  116.308   6.5681   89.248   6.8504   87.822   7.3030   99.694   19.767  113.529   4.7470  119.087   12.249 -5.558380 13.13623 
1 1 1   21   15   28 o  160.917   5.8722  162.127   9.1235  155.656   9.8111  203.498   24.807  151.110   4.7912  170.725   10.723 -19.61551 11.74430 
1 1 1   21   15   29 o   56.433   9.5294   21.802   4.2859   21.650   4.4539   23.697   15.754   56.258   5.8421   56.607   18.141 -0.3487511 19.05890 
1 1 1   21   15   30 o   69.512   8.4750   30.465   4.5761   29.512   4.7887   40.491   15.529   65.715   5.3774   73.309   16.074 -7.594490 16.95004 
1 1 1   21   15   31 o   64.090   9.0892   26.173   4.4161   25.459   4.5981   34.661   15.852   61.001   5.5624   67.179   17.306 -6.178322 18.17840 
1 1 1   21   15   32 o   81.849   8.7752   53.839   5.9845   55.815   6.4352   41.198   16.278   90.344   5.2563   73.354   16.745 16.99026 17.55031 
1 1 1   21   15   33 o   72.003   5.3346   35.484   5.2052   35.484   5.2052   0.0000   0.0000   72.003   5.3346  ?   ?       ?      ? 
1 1 1   21   15   34 o   43.811   8.6352   16.113   3.8728   17.160   4.0077   1.3433   15.052   49.995   5.9154   37.626   16.226 12.36930 17.27031 
1 1 1   21   15   35 o   42.293   9.8900   7.8052   3.7048   6.9017   3.8230   21.745   15.017   31.006   8.7288   53.580   17.750 -22.57441 19.77999 
1 1 1   21   15   36 o  111.093   7.1594   85.469   8.3594   84.415   9.2505   90.165   19.520  110.725   6.1651  111.461   12.924 -0.7356491 14.31877 
1 1 1   21   15   37 o   41.481   11.318   10.228   8.7745   11.160   10.815   8.4323   15.011   41.075   14.969   41.888   16.980 -0.8127594 22.63639 
1 1 1   21   15   38 o   73.000   16.401   41.993   15.829   0.0000   0.0000   41.993   15.829  ?   ?    73.000   16.401      ?      ? 
1 1 1   21   15   39 o  106.204   12.686   82.702   18.257   0.0000   0.0000   82.702   18.257  ?   ?   106.204   12.686      ?      ? 
1 1 1   21   15   40 o   45.666   16.803   14.802   13.675   0.0000   0.0000   14.802   13.675  ?   ?    45.666   16.803      ?      ? 
1 1 1   21   15   41 o   55.921   16.881   25.352   13.866   0.0000   0.0000   25.352   13.866  ?   ?    55.921   16.881      ?      ? 
1 1 1   21   15   42 o   64.489   16.670   33.999   14.674   0.0000   0.0000   33.999   14.674  ?   ?    64.489   16.670      ?      ? 
1 1 1   21   15   43 o   59.131   17.222   29.080   14.641   0.0000   0.0000   29.080   14.641  ?   ?    59.131   17.222      ?      ? 
1 1 1   21   15   44 o   51.127   17.298   21.284   14.255   0.0000   0.0000   21.284   14.255  ?   ?    51.127   17.298      ?      ? 
1 1 1   21   15   45 o   41.201   16.299   10.666   13.488   0.0000   0.0000   10.666   13.488  ?   ?    41.201   16.299      ?      ? 
1 1 1   21   16    0 o  150.604   11.049  156.169   22.549  156.169   22.549   0.0000   0.0000  150.604   11.049  ?   ?       ?      ? 
1 1 1   21   16    1 o   63.044   10.245   23.150   8.0296   45.614   15.731   15.236   9.3375   79.615   15.134   46.473   13.814 33.14217 20.49072 
1 1 1   21   16    2 o  113.826   5.4598   88.471   8.4094   87.881   11.567   89.133   12.248  113.447   7.5236  114.205   7.9140 -0.7580185 10.91953 
1 1 1   21   16    3 o  124.824   5.2917  106.535   8.9372  109.553   12.414  103.288   12.877  126.693   7.2304  122.954   7.7286 3.739609 10.58349 
1 1 1   21   16    4 o   88.365   6.2503   53.599   7.4698   56.158   10.425   50.899   10.708   90.574   8.4936   86.155   9.1718 4.418373 12.50055 
1 1 1   21   16    5 o   90.713   6.0407   56.603   7.3881   59.767   10.145   53.031   10.781   93.483   8.0083   87.944   9.0459 5.538544 12.08145 
1 1 1   21   16    6 o   46.099   8.8622   14.408   6.0496   7.1227   8.2129   23.050   8.9448   35.508   13.029   56.690   12.017 -21.18159 17.72433 
1 1 1   21   16    7 o  115.018   8.3716  109.364   8.4672  116.919   9.2241   68.916   21.343  131.090   5.1924   98.946   15.918 32.14442 16.74329 
1 1 1   21   16    8 o  113.556   7.5431   89.107   7.9060   89.173   8.5043   88.683   21.457  114.449   5.4833  112.662   14.054 1.786774 15.08627 
1 1 1   21   16    9 o  133.445   6.9860  129.559   9.0095  132.856   9.8449  112.567   22.349  139.722   5.1995  127.169   12.969 12.55276 13.97201 
1 1 1   21   16   10 o  139.876   7.4217  142.546   11.485  148.854   13.107  121.678   23.839  147.690   6.5487  132.062   13.321 15.62820 14.84339 
1 1 1   21   16   11 o  135.444   5.2101  124.882   9.5628  124.882   9.5628   0.0000   0.0000  135.444   5.2101  ?   ?       ?      ? 
1 1 1   21   16   12 o  159.636   5.1206  173.477   11.077  173.477   11.077   0.0000   0.0000  159.636   5.1206  ?   ?       ?      ? 
1 1 1   21   16   13 o   47.709   9.1865   16.171   5.7237   16.171   5.7237   0.0000   0.0000   47.709   9.1865  ?   ?       ?      ? 
1 1 1   21   16   14 o   49.280   11.321   17.505   7.4017   17.505   7.4017   0.0000   0.0000   49.280   11.321  ?   ?       ?      ? 
1 1 1   21   16   15 o   83.842   10.451   52.768   8.2883   53.824   9.0402   47.198   20.759   88.630   7.5269   79.055   19.499 9.574455 20.90107 
1 1 1   21   16   16 o  131.284   6.4921  104.347   8.2444   98.809   8.8468  140.903   22.730  120.394   5.4225  142.174   11.798 -21.78020 12.98426 
1 1 1   21   16   17 o  171.281   6.7635  210.926   13.264  218.960   15.318  186.855   26.515  178.999   6.3149  163.563   11.962 15.43527 13.52694 
1 1 1   21   16   18 o  151.207   6.3703  149.883   9.3979  146.550   10.167  169.446   24.631  146.637   5.1164  155.777   11.668 -9.139648 12.74068 
1 1 1   21   16   19 o   86.482   8.8774   53.625   6.3082   53.736   6.7071   52.779   18.569   88.731   5.5780   84.232   16.856 4.499535 17.75481 
1 1 1   21   16   20 o   80.511   9.2744   49.436   6.1232   50.359   6.5260   42.642   17.704   85.880   5.6075   75.142   17.681 10.73883 18.54885 
1 1 1   21   16   21 o   56.175   9.6800   22.928   5.0292   23.148   5.3094   21.003   15.688   58.112   6.7421   54.238   18.148 3.874229 19.36006 
1 1 1   21   16   22 o  116.018   7.2060  100.392   7.5648  102.998   8.1690   84.700   20.043  122.896   4.9051  109.141   13.552 13.75476 14.41202 
1 1 1   21   16   23 o  121.486   6.6749   98.796   7.5777   97.399   8.1432  107.815   20.696  119.469   5.0299  123.503   12.366 -4.033829 13.34978 
1 1 1   21   16   24 o   84.135   9.1986   53.189   7.6141   54.433   8.4305   47.685   17.736   88.987   6.9911   79.284   17.017 9.702850 18.39718 
1 1 1   21   16   25 o   86.923   9.3652   60.907   7.9000   64.776   8.8175   45.166   17.786   97.096   6.7013   76.749   17.491 20.34684 18.73041 
1 1 1   21   16   26 o   77.120   9.3699   45.340   7.2067   46.577   7.9901   39.945   16.689   82.218   7.1714   72.021   17.313 10.19667 18.73981 
1 1 1   21   16   27 o   45.128   9.9584   14.831   5.7301   15.581   6.2266   10.686   14.643   46.280   10.203   43.977   17.105 2.303204 19.91680 
1 1 1   21   16   28 o   68.445   9.0089   30.609   6.2459   28.754   6.8204   40.251   15.548   64.430   7.8116   72.460   16.236 -8.029938 18.01783 
1 1 1   21   16   29 o   76.834   8.3415   37.633   6.5391   34.919   7.1551   51.386   16.109   71.037   7.4327   82.632   14.936 -11.59433 16.68303 
1 1 1   21   16   30 o   37.092   9.9348   7.3069   5.0734   7.0830   5.4215   8.8849   14.391   32.188   10.665   41.996   16.765 -9.807884 19.86959 
1 1 1   21   16   31 o   74.245   9.5567   39.880   7.9103   39.021   9.0032   42.789   16.564   74.631   8.9022   73.859   16.914 0.7716446 19.11337 
1 1 1   21   16   32 o   64.286   17.331   32.920   15.442   0.0000   0.0000   32.920   15.442  ?   ?    64.286   17.331      ?      ? 
1 1 1   21   16   33 o   51.037   17.566   19.766   14.709   0.0000   0.0000   19.766   14.709  ?   ?    51.037   17.566      ?      ? 
1 1 1   21   16   34 o   73.227   16.819   42.762   16.338   0.0000   0.0000   42.762   16.338  ?   ?    73.227   16.819      ?      ? 
1 1 1   21   16   35 o   57.141   18.095   26.548   15.708   0.0000   0.0000   26.548   15.708  ?   ?    57.141   18.095      ?      ? 
1 1 1   21   16   36 o   51.251   17.675   20.612   14.896   0.0000   0.0000   20.612   14.896  ?   ?    51.251   17.675      ?      ? 
1 1 1   21   16   38 o   35.121   15.405   0.7213   14.061   0.0000   0.0000   0.7213   14.061  ?   ?    35.121   15.405      ?      ? 
1 1 1   21   16   39 o   67.314   17.090   37.622   15.617   0.0000   0.0000   37.622   15.617  ?   ?    67.314   17.090      ?      ? 
1 1 1   21   17    0 o   78.883   7.3761   41.156   7.7074   33.905   9.7475   53.252   12.590   70.041   10.270   87.724   10.591 -17.68308 14.75215 
1 1 1   21   17    1 o   38.956   8.9495   5.2921   6.4297  -4.9765   8.3082   20.625   10.152   24.697   11.253   53.215   13.919 -28.51815 17.89910 
1 1 1   21   17    2 o   48.286   9.1647   15.773   6.4763   8.0708   8.6226   25.740   9.8094   36.897   13.379   59.675   12.529 -22.77764 18.32940 
1 1 1   21   17    3 o   69.091   7.6330   34.047   6.8522   37.504   9.2365   29.815   10.219   73.770   9.2395   64.412   12.152 9.357559 15.26592 
1 1 1   21   17    4 o  137.021   6.5858  125.323   11.475  141.505   20.583  118.026   13.822  142.870   10.631  131.172   7.7761 11.69807 13.17168 
1 1 1   21   17    5 o  132.105   6.9218  123.900   11.452  111.530   19.956  129.973   13.983  126.517   11.640  137.693   7.4939 -11.17648 13.84366 
1 1 1   21   17    6 o   77.370   7.1323   42.214   7.3120   50.667   10.153   33.104   10.540   85.776   8.7343   68.964   11.278 16.81161 14.26455 
1 1 1   21   17    7 o  175.996   7.0773  229.819   14.221  245.867   16.567  184.868   27.727  189.626   6.4469  162.367   12.601 27.25842 14.15469 
1 1 1   21   17    8 o  158.224   6.8736  182.613   10.706  187.364   11.752  159.435   25.957  165.779   5.2312  150.670   12.713 15.10812 13.74711 
1 1 1   21   17    9 o  150.502   6.7347  159.970   10.059  161.599   11.014  151.780   24.696  153.936   5.2797  147.068   12.392 6.868561 13.46949 
1 1 1   21   17   10 o  144.555   6.6666  143.904   9.5630  143.582   10.437  145.591   23.872  145.082   5.3087  144.028   12.231 1.054092 13.33318 
1 1 1   21   17   11 o   81.739   9.4585   50.763   6.6938   51.780   7.1967   44.242   18.226   87.019   6.1029   76.458   17.906 10.56116 18.91708 
1 1 1   21   17   12 o   87.907   9.1035   55.277   8.2921   55.284   9.2636   55.248   18.600   89.666   7.6238   86.149   16.534 3.516769 18.20693 
1 1 1   21   17   13 o   60.436   9.8577   30.311   5.7966   31.921   6.1945   18.971   16.437   68.234   6.6992   52.637   18.542 15.59776 19.71537 
1 1 1   21   17   14 o   99.232   7.2783   60.294   6.8619   57.245   7.3427   81.309   19.278   91.478   5.9232  106.987   13.297 -15.50871 14.55663 
1 1 1   21   17   15 o   88.563   9.6996   71.362   7.0202   77.080   7.6107   38.741   18.177  106.238   5.2864   70.888   18.665 35.34924 19.39915 
1 1 1   21   17   16 o  113.914   6.9086   85.661   7.4999   83.791   8.0777   97.346   20.193  110.732   5.3831  117.097   12.725 -6.364777 13.81716 
1 1 1   21   17   17 o   51.098   8.6762   25.825   5.3552   29.564   5.7013  -2.2012   15.609   65.643   6.4092   36.553   16.125 29.08914 17.35242 
1 1 1   21   17   18 o   82.432   8.7055   46.949   6.3372   46.248   6.7909   51.676   17.633   82.130   6.1016   82.734   16.307 -0.6042938 17.41104 
1 1 1   21   17   19 o   75.561   8.7728   38.561   5.7646   37.662   6.1450   45.151   16.642   74.094   6.1200   77.029   16.444 -2.934471 17.54559 
1 1 1   21   17   20 o   54.354   9.6297   23.907   6.1155   25.737   6.7237   15.144   14.715   60.934   8.1426   47.774   17.453 13.16004 19.25946 
1 1 1   21   17   21 o  119.198   7.0601   98.954   9.2458   98.397   10.392  101.070   20.250  119.620   6.4110  118.775   12.581 0.8451385 14.12024 
1 1 1   21   17   22 o   92.906   7.9677   61.728   7.8514   62.037   8.7534   60.457   17.758   94.857   6.8097   90.954   14.407 3.902550 15.93543 
1 1 1   21   17   23 o   65.823   9.3163   28.253   6.3411   26.265   6.9386   38.329   15.620   61.421   8.3363   70.225   16.664 -8.803825 18.63268 
1 1 1   21   17   24 o   50.077   8.8942   23.439   5.3047   26.300   5.6573   2.6097   15.263   61.720   6.7639   38.434   16.452 23.28625 17.78836 
1 1 1   21   17   25 o  107.952   6.8876   75.969   7.6212   72.840   8.3186   92.316   19.015  102.893   5.9660  113.012   12.416 -10.11830 13.77526 
1 1 1   21   17   26 o   33.973   9.0707   7.0758   4.3611   7.9589   4.5790  -1.5443   14.306   33.189   9.6215   34.756   15.380 -1.566769 18.14146 
1 1 1   21   17   27 f   68.514   17.508   37.696   16.316   0.0000   0.0000   37.696   16.316  ?   ?    68.514   17.508      ?      ? 
1 1 1   21   17   28 o   31.821   14.458  -5.0840   13.589   0.0000   0.0000  -5.0840   13.589  ?   ?    31.821   14.458      ?      ? 
1 1 1   21   17   29 o   61.529   17.994   30.984   15.953   0.0000   0.0000   30.984   15.953  ?   ?    61.529   17.994      ?      ? 
1 1 1   21   17   30 o   37.306   15.843   3.9194   13.951   0.0000   0.0000   3.9194   13.951  ?   ?    37.306   15.843      ?      ? 
1 1 1   21   17   31 o   50.894   17.639   20.327   14.843   0.0000   0.0000   20.327   14.843  ?   ?    50.894   17.639      ?      ? 
1 1 1   21   17   32 o   49.847   17.444   19.446   14.533   0.0000   0.0000   19.446   14.533  ?   ?    49.847   17.444      ?      ? 
1 1 1   21   17   33 o   41.093   16.441   9.7707   13.872   0.0000   0.0000   9.7707   13.872  ?   ?    41.093   16.441      ?      ? 
1 1 1   21   18    0 o   54.315   11.360   21.523   7.8631   21.930   8.7790   19.874   17.682   54.784   12.144   53.847   19.203 0.9372292 22.72080 
1 1 1   21   18    1 o   65.993   10.783   33.034   8.1374   34.027   9.1299   29.197   17.947   69.957   9.6305   62.028   19.297 7.928997 21.56688 
1 1 1   21   18    2 o  136.942   7.6213  129.183   14.143   0.0000   0.0000  129.183   14.143  ?   ?   136.942   7.6213      ?      ? 
1 1 1   21   18    3 o  111.021   5.6143   86.182   8.3287   95.927   11.347   74.798   12.264  118.120   7.0887  103.921   8.7083 14.19926 11.22868 
1 1 1   21   18    4 o   73.671   7.5155   37.608   6.8497   21.669   8.9707   59.894   10.608   54.300   12.456   93.041   8.4133 -38.74100 15.03104 
1 1 1   21   18    5 o   98.270   5.9055   66.261   7.8269   61.135   10.464   72.771   11.793   94.026   8.2123  102.513   8.4888 -8.487534 11.81104 
1 1 1   21   18    6 o  113.963   5.5668   90.822   8.4759   99.180   11.444   80.665   12.615  120.063   7.0336  107.863   8.6306 12.19945 11.13367 
1 1 1   21   18    7 f   61.217   10.088   30.863   6.1977   32.432   6.6558   20.633   16.998   68.625   7.1572   53.809   18.863 14.81546 20.17517 
1 1 1   21   18    8 o   53.667   9.6184   25.591   6.9297   30.303   7.6847   5.0893   16.031   66.081   8.5816   41.252   17.217 24.82912 19.23681 
1 1 1   21   18    9 o   66.768   9.9464   30.544   7.1980   29.084   7.9892   36.835   16.590   64.617   9.1238   68.920   17.677 -4.303818 19.89290 
1 1 1   21   18   10 o   51.715   9.5558   22.724   6.6176   26.431   7.3799   7.5073   14.951   61.629   8.8366   41.801   16.946 19.82715 19.11158 
1 1 1   21   18   11 o   51.062   10.308   14.444   5.2116   12.823   5.5137   28.032   15.965   41.978   9.8604   60.145   18.105 -18.16788 20.61583 
1 1 1   21   18   12 o   52.111   9.2537   24.317   5.3910   26.636   5.7456   7.2458   15.586   62.170   6.8199   42.052   17.205 20.11801 18.50750 
1 1 1   21   18   13 o   63.229   9.7329   38.274   5.9948   41.647   6.4143   14.989   16.853   77.856   6.0796   48.601   18.492 29.25469 19.46586 
1 1 1   21   18   14 o   37.265   9.4973   9.3103   5.2492   10.705   5.6202  -0.2188   14.690   38.302   10.510   36.228   15.822 2.074265 18.99460 
1 1 1   21   18   15 o   47.676   10.406   15.539   5.6627   15.359   6.0472   16.814   16.138   45.866   10.010   49.486   18.248 -3.619373 20.81298 
1 1 1   21   18   16 o   55.389   9.9763   22.518   5.8847   22.598   6.3445   22.027   15.745   56.950   8.2209   53.829   18.180 3.120155 19.95259 
1 1 1   21   18   17 o   59.496   9.0389   13.143   5.7120   7.4762   6.0943   54.113   16.386   33.251   11.310   85.740   14.103 -52.48921 18.07780 
1 1 1   21   18   18 o   25.010   8.0303  -0.6943   4.5570   1.3618   4.8322 -17.2168   13.698   23.102   9.5307   26.918   12.927 -3.816040 16.06058 
1 1 1   21   18   19 o   43.255   10.110   12.580   5.4043   12.482   5.8022   13.224   14.850   41.119   10.404   45.391   17.337 -4.272247 20.21959 
1 1 1   21   18   20 o   40.137   9.9321   10.509   5.2248   10.619   5.6007   9.7682   14.507   37.973   10.521   42.301   16.849 -4.327862 19.86428 
1 1 1   21   18   21 f   28.714   13.533 -11.9967   13.658   0.0000   0.0000 -11.9967   13.658  ?   ?    28.714   13.533      ?      ? 
1 1 1   21   18   22 o   24.926   12.144 -20.8569   13.239   0.0000   0.0000 -20.8569   13.239  ?   ?    24.926   12.144      ?      ? 
1 1 1   21   18   23 o   41.043   16.844   8.0173   14.994   0.0000   0.0000   8.0173   14.994  ?   ?    41.043   16.844      ?      ? 
1 1 1   21   18   24 o   38.077   16.141   4.5118   14.440   0.0000   0.0000   4.5118   14.440  ?   ?    38.077   16.141      ?      ? 
1 1 1   21   18   25 o   60.478   18.180   30.541   16.105   0.0000   0.0000   30.541   16.105  ?   ?    60.478   18.180      ?      ? 
1 1 1   21   19    0 o  115.296   6.4407   93.735   9.8552   89.580   15.373   96.635   12.841  112.697   10.066  117.894   8.0376 -5.196991 12.88131 
1 1 1   21   19    1 o  103.321   6.6869   74.580   9.2186   77.308   14.450   72.708   11.971  104.610   10.193  102.033   8.6582 2.577316 13.37383 
1 1 1   21   19    2 o   67.728   8.4101   32.484   7.4611   41.273   11.591   26.267   9.7496   76.069   11.244   59.388   12.509 16.68076 16.82028 
1 1 1   21   19    3 o   77.695   7.4698   41.873   7.7717   49.725   12.172   36.469   10.098   83.647   10.738   71.742   10.387 11.90498 14.93951 
1 1 1   21   19    4 o  107.527   6.4468   79.944   9.2882   89.161   14.507   73.539   12.092  112.536   9.5123  102.517   8.7039 10.01929 12.89351 
1 1 1   21   19    5 o   97.047   8.5924   63.918   10.815   54.873   13.176   82.592   18.932   87.650   11.093  106.445   13.125 -18.79548 17.18479 
1 1 1   21   19    6 o   72.708   10.367   36.669   9.3034   29.941   11.115   52.413   17.002   62.962   13.436   82.455   15.791 -19.49258 20.73411 
1 1 1   21   19    7 o   56.404   11.336   23.809   8.4585   22.371   10.003   27.418   15.846   54.189   13.633   58.619   18.115 -4.429371 22.67241 
1 1 1   21   19    8 o   63.309   9.8499   32.020   6.4101   33.082   7.0018   26.523   15.933   68.971   7.4913   57.647   18.220 11.32426 19.69973 
1 1 1   21   19    9 o   75.128   10.013   53.836   7.2933   59.953   8.0565   26.065   17.167   93.157   6.3818   57.099   18.981 36.05804 20.02511 
1 1 1   21   19   10 o   70.439   9.5524   31.044   6.6986   28.158   7.2490   47.910   17.525   63.361   8.4425   77.518   17.138 -14.15635 19.10488 
1 1 1   21   19   11 o   60.481   9.2405   37.373   6.6296   43.762   7.3030   7.4447   15.806   79.447   6.7833   41.514   17.191 37.93293 18.48100 
1 1 1   21   19   12 o   82.333   9.2682   53.617   7.2055   55.251   7.9217   45.784   17.342   89.314   6.5452   75.353   17.342 13.96087 18.53646 
1 1 1   21   19   13 o   67.070   9.6718   34.046   6.3805   34.080   6.9446   33.866   16.162   69.927   7.3286   64.213   17.902 5.713654 19.34354 
1 1 1   21   19   14 o   60.623   10.974   28.650   8.4385   28.174   9.9501   29.870   15.926   61.044   12.450   60.202   18.074 0.8413811 21.94708 
1 1 1   21   19   15 o   32.631   10.016  -1.0972   7.1018  -4.0751   8.1369   8.4245   14.550   24.381   11.120   40.882   16.663 -16.50175 20.03269 
1 1 1   21   19   16 o   72.832   17.674   43.733   17.267   0.0000   0.0000   43.733   17.267  ?   ?    72.832   17.674      ?      ? 
1 1 1   21   20    0 o   48.053   9.7332   17.549   7.2265   8.4152   10.304   26.388   10.137   37.461   14.410   58.646   13.088 -21.18501 19.46642 
1 1 1   21   20    1 o   47.365   9.4833   16.954   6.9267   7.8648   9.8381   25.889   9.7540   36.509   14.070   58.221   12.719 -21.71229 18.96670 
1 1 1   21   20    2 o   84.671   7.2868   51.617   8.3207   51.144   12.337   52.013   11.270   84.056   10.831   85.286   9.7509 -1.229500 14.57366 
1 1 1   21   20    3 o   79.737   8.1470   48.254   8.1802   33.685   11.757   61.924   11.389   66.077   13.584   93.396   8.9983 -27.31887 16.29403 
1 1 1   21   20    4 o   39.126   10.334   9.5041   7.1913   7.1875   9.0851   13.391   11.768   35.088   13.521   43.164   15.632 -8.076283 20.66895 
1 1 1   21   20    5 o   50.084   9.9375   20.454   7.4088   26.179   9.5603   11.848   11.722   58.576   12.429   41.592   15.509 16.98326 19.87496 
1 1 1   21   20    6 o   30.599   11.161   5.9164   6.0137   5.9164   6.0137   0.0000   0.0000   30.599   11.161  ?   ?       ?      ? 
1 1 1   21   20    7 o   24.618   10.162   1.7804   5.4988   1.7804   5.4988   0.0000   0.0000   24.618   10.162  ?   ?       ?      ? 
1 1 1   21   20    8 o   66.959   7.9052   31.579   7.1730   31.579   7.1730   0.0000   0.0000   66.959   7.9052  ?   ?       ?      ? 
1 1 1   21   20    9 o   27.980   10.821   4.1443   5.8345   4.1443   5.8345   0.0000   0.0000   27.980   10.821  ?   ?       ?      ? 
1 1 1   21   21    0 o   64.366   15.675   34.069   13.545   0.0000   0.0000   34.069   13.545  ?   ?    64.366   15.675      ?      ? 
1 1 1   21   21    1 o   49.149   16.377   19.766   12.777   0.0000   0.0000   19.766   12.777  ?   ?    49.149   16.377      ?      ? 
1 1 1   21   21    2 o   36.225   15.179   5.4417   12.532   0.0000   0.0000   5.4417   12.532  ?   ?    36.225   15.179      ?      ? 
1 1 1   22    0    1 o  839.800   13.724  4788.68  156.094  4788.68  156.094   0.0000   0.0000  839.800   13.724  839.800   13.724 -0.000000 0.000000 
1 1 1   22    0    3 o  1002.47   16.107  6826.98  218.676  6826.98  218.676   0.0000   0.0000  1002.47   16.107  1002.47   16.107 -0.000000 0.000000 
1 1 1   22    0    4 o  115.918   6.2457   91.861   9.7460   91.861   9.7460   0.0000   0.0000  115.918   6.2457  115.918   6.2457 -0.000000 0.000000 
1 1 1   22    0    5 o  689.000   11.574  3222.53  107.993  3222.53  107.993   0.0000   0.0000  689.000   11.574  689.000   11.574 -0.000000 0.000000 
1 1 1   22    0    7 o  211.789   6.0501  304.754   17.332  304.754   17.332   0.0000   0.0000  211.789   6.0501  211.789   6.0501 -0.000000 0.000000 
1 1 1   22    0    8 o  369.270   7.4227  925.481   37.110  925.481   37.110   0.0000   0.0000  369.270   7.4227  369.270   7.4227 -0.000000 0.000000 
1 1 1   22    0    9 o  256.896   6.4897  449.429   22.507  455.219   31.303  443.231   32.384  258.645   8.9554  255.148   9.3950 -0.000000 0.000000 
1 1 1   22    0   10 o  1297.06   20.564 11488.94  360.761 11110.85  498.168 11905.87  523.134  1274.71   28.873  1319.42   29.291 -0.000000 0.000000 
1 1 1   22    0   11 o  248.057   6.3686  419.402   21.317  434.827   29.813  403.265   30.493  252.784   8.7267  243.331   9.2781 -0.000000 0.000000 
1 1 1   22    0   12 o  465.177   8.6109  1471.51   54.193  1489.85   76.538  1453.06   76.743  468.104   12.084  462.251   12.271 -0.000000 0.000000 
1 1 1   22    0   13 o  712.055   11.932  3444.83  114.879  3623.34  166.903  3284.13  158.361  729.573   16.902  694.537   16.848 -0.000000 0.000000 
1 1 1   22    0   14 o  428.752   8.1662  1247.83   47.318  1201.71   65.086  1299.53   68.912  420.361   11.445  437.143   11.652 -0.000000 0.000000 
1 1 1   22    0   15 o  591.484   10.259  2378.80   82.073  2323.52  113.873  2438.55  118.398  584.345   14.400  598.622   14.615 -0.000000 0.000000 
1 1 1   22    0   16 o  768.538   12.733  4023.92  132.419  3973.56  185.143  4076.67  189.469  763.630   17.914  773.445   18.099 -0.000000 0.000000 
1 1 1   22    0   17 o  529.343   9.4291  1905.78   67.517  1875.27   93.973  1938.33   97.068  524.975   13.228  533.710   13.440 -0.000000 0.000000 
1 1 1   22    0   18 o  313.513   6.8764  667.710   29.113  649.021   39.959  688.852   42.502  308.853   9.5680  318.173   9.8789 -0.000000 0.000000 
1 1 1   22    0   19 f  576.393   10.054  2257.09   78.328  2166.30  107.544  2359.66  114.310  564.078   14.089  588.709   14.348 -0.000000 0.000000 
1 1 1   22    0   20 o  426.929   11.626  1240.35   67.151   0.0000   0.0000  1240.35   67.151  426.929   11.626  426.929   11.626 -0.000000 0.000000 
1 1 1   22    0   21 o  266.668   9.3388  484.295   33.654   0.0000   0.0000  484.295   33.654  266.668   9.3388  266.668   9.3388 -0.000000 0.000000 
1 1 1   22    0   22 o  550.901   13.837  2067.13  103.154   0.0000   0.0000  2067.13  103.154  550.901   13.837  550.901   13.837 -0.000000 0.000000 
1 1 1   22    0   23 o  512.829   13.152  1791.14   91.263   0.0000   0.0000  1791.14   91.263  512.829   13.152  512.829   13.152 -0.000000 0.000000 
1 1 1   22    0   24 o   84.405   7.3055   50.582   7.7676   50.901   9.9355   50.081   12.457   85.273   8.8136   83.537   11.653 -0.000000 0.000000 
1 1 1   22    0   25 o  234.681   6.1959  374.207   19.592  360.895   26.597  390.001   28.969  230.143   8.5549  239.218   8.9649 -0.000000 0.000000 
1 1 1   22    0   26 o  400.084   7.8116  1089.39   42.252  1077.70   58.594  1102.06   60.985  397.872   10.886  402.295   11.206 -0.000000 0.000000 
1 1 1   22    0   28 o  408.902   7.9259  1139.15   43.826  1173.14   61.862  1104.89   62.098  415.078   11.016  402.725   11.399 -0.000000 0.000000 
1 1 1   22    0   29 o  136.851   6.0286  129.604   10.939  136.179   14.616  121.231   16.493  141.041   7.6999  132.661   9.2785 -0.000000 0.000000 
1 1 1   22    0   30 o  201.955   6.0654  278.665   16.449  281.539   22.250  275.200   24.426  203.188   8.1100  200.721   9.0213 -0.000000 0.000000 
1 1 1   22    0   31 o  131.863   7.9046  119.273   14.009  119.273   14.009   0.0000   0.0000  131.863   7.9046  131.863   7.9046 -0.000000 0.000000 
1 1 1   22    0   32 o  265.657   8.8431  480.812   31.755  480.812   31.755   0.0000   0.0000  265.657   8.8431  265.657   8.8431 -0.000000 0.000000 
1 1 1   22    0   33 o  253.959   6.3873  440.790   21.854  474.637   30.716  406.092   31.099  263.966   8.6075  243.952   9.4394 -0.000000 0.000000 
1 1 1   22    0   34 o  161.359   6.0661  180.445   13.009  201.206   17.829  156.811   19.023  171.653   7.7001  151.064   9.3754 -0.000000 0.000000 
1 1 1   22    0   35 o  451.364   8.4742  1389.85   51.739  1403.33   72.635  1375.97   73.717  453.628   11.834  449.101   12.133 -0.000000 0.000000 
1 1 1   22    0   36 o  249.560   6.4014  422.117   21.504  394.735   28.922  455.965   32.156  240.560   8.8997  258.561   9.2037 -0.000000 0.000000 
1 1 1   22    0   37 o  368.335   7.5287  925.105   37.483  923.855   52.043  926.452   54.030  368.118   10.452  368.551   10.839 -0.000000 0.000000 
1 1 1   22    0   38 o  518.451   9.3849  1836.41   65.826  1839.85   92.260  1832.83   93.946  518.990   13.137  517.911   13.406 -0.000000 0.000000 
1 1 1   22    0   40 f  330.996   9.9564  747.192   44.567  747.192   44.567   0.0000   0.0000  330.996   9.9564  330.996   9.9564 -0.000000 0.000000 
1 1 1   22    0   41 f  229.871   6.4196  361.680   19.868  373.759   27.379  348.243   28.877  234.035   8.6598  225.707   9.4790 -0.000000 0.000000 
1 1 1   22    0   42 o  516.726   9.3720  1824.43   65.487  1785.03   90.672  1867.40   94.683  510.938   13.115  522.515   13.392 -0.000000 0.000000 
1 1 1   22    0   43 o  205.594   6.2859  289.653   17.388  300.463   24.005  277.720   25.221  209.744   8.4770  201.443   9.2839 -0.000000 0.000000 
1 1 1   22    0   44 o  435.152   8.3698  1294.07   49.263  1327.10   69.819  1261.33   69.519  440.733   11.709  429.570   11.963 -0.000000 0.000000 
1 1 1   22    0   45 o  140.342   9.3478  135.768   17.597   0.0000   0.0000  135.768   17.597  140.342   9.3478  140.342   9.3478 -0.000000 0.000000 
1 1 1   22    0   46 o   73.992   13.787   41.025   12.416   0.0000   0.0000   41.025   12.416   73.992   13.787   73.992   13.787 -0.000000 0.000000 
1 1 1   22    0   47 o   62.343   10.802   31.905   7.7966   36.628   10.391   25.820   11.794   70.492   11.895   54.194   18.034 -0.000000 0.000000 
1 1 1   22    0   48 o   28.797   11.032   7.2725   6.7556   12.105   8.6865  -0.1244   10.747   34.690   16.365   22.904   14.800 -0.000000 0.000000 
1 1 1   22    0   49 o  156.839   6.4431  170.275   13.486  181.299   18.427  157.556   19.792  162.569   8.4156  151.110   9.7586 -0.000000 0.000000 
1 1 1   22    0   50 o  105.439   7.3610   78.944   10.083   84.914   13.532   71.490   15.119  110.509   9.1816  100.369   11.508 -0.000000 0.000000 
1 1 1   22    0   51 o  232.236   8.9490  369.260   28.069  369.260   28.069   0.0000   0.0000  232.236   8.9490  232.236   8.9490 -0.000000 0.000000 
1 1 1   22    0   52 o  362.629   10.614  901.600   52.058  901.600   52.058   0.0000   0.0000  362.629   10.614  362.629   10.614 -0.000000 0.000000 
1 1 1   22    0   53 o   59.052   11.511   29.584   7.9530   32.820   10.502   25.232   12.178   65.495   13.380   52.610   18.735 -0.000000 0.000000 
1 1 1   22    0   54 o  126.676   6.8496  112.255   11.476  116.766   15.390  106.605   17.224  129.884   8.8375  123.469   10.467 -0.000000 0.000000 
1 1 1   22    0   55 o   93.025   8.4064   64.383   9.5098   74.948   12.691   50.857   14.360  103.494   9.2175   82.557   14.061 -0.000000 0.000000 
1 1 1   22    0   56 o  202.854   6.4967  281.943   17.697  268.906   23.735  298.266   26.558  197.669   8.9019  208.039   9.4649 -0.000000 0.000000 
1 1 1   22    0   57 o   49.353   12.486   22.557   7.6259   23.412   9.9254   21.326   11.914   52.054   16.077   46.651   19.108 -0.000000 0.000000 
1 1 1   22    0   58 o   45.640   12.356   18.784   7.6049   12.363   9.8694   28.170   11.932   34.459   17.264   56.822   17.682 -0.000000 0.000000 
1 1 1   22    0   59 o   64.044   10.942   34.384   8.0916   40.413   10.806   26.688   12.209   73.941   11.648   54.146   18.527 -0.000000 0.000000 
1 1 1   22    0   60 o   84.671   8.6622   53.395   9.0490   57.573   12.069   48.031   13.675   89.664   10.284   79.678   13.942 -0.000000 0.000000 
1 1 1   22    0   61 o   28.648   11.562   7.1304   6.9906   4.4345   9.0241   11.176   11.054   24.505   14.810   32.791   17.759 -0.000000 0.000000 
1 1 1   22    0   62 o   46.581   13.343   21.687   8.3143   23.318   11.370   19.811   12.190   49.550   18.280   43.612   19.442 -0.000000 0.000000 
1 1 1   22    0   63 o   76.120   15.375   45.503   14.050   0.0000   0.0000   45.503   14.050   76.120   15.375   76.120   15.375 -0.000000 0.000000 
1 1 1   22    0   64 o   94.315   8.7176   63.185   10.045   45.508   13.024   89.150   15.784   77.007   13.799  111.623   10.658 -0.000000 0.000000 
1 1 1   22    0   65 o  155.913   6.8089  171.259   14.163  174.352   19.090  167.471   21.125  157.860   8.9904  153.966   10.228 -0.000000 0.000000 
1 1 1   22    0   66 o   18.713   8.9440  -3.7573   6.6923  -0.9132   8.5315  -8.3063   10.790   19.363   12.750   18.064   12.546 -0.000000 0.000000 
1 1 1   22    0   67 o   39.020   13.058   16.503   7.7468   16.306   9.9580   16.804   12.329   39.282   17.574   38.759   19.317 -0.000000 0.000000 
1 1 1   22    0   68 o   26.771   15.710   6.7659   9.6066   6.7659   9.6066   0.0000   0.0000   26.771   15.710   26.771   15.710 -0.000000 0.000000 
1 1 1   22    0   69 o   27.106   11.263   4.0841   7.3729  -2.4021   9.5644   13.583   11.574   19.472   13.038   34.741   18.369 -0.000000 0.000000 
1 1 1   22    0   70 o   82.473   9.1485   51.978   9.4252   53.292   12.965   50.506   13.726   84.193   12.087   80.752   13.737 -0.000000 0.000000 
1 1 1   22    0   71 o   21.763   10.029  -0.0264   7.1697  -2.6908   9.6823   3.2082   10.668   19.360   13.010   24.167   15.266 -0.000000 0.000000 
1 1 1   22    0   72 o   76.192   10.285   46.193   9.4583   45.891   12.850   46.550   13.973   76.510   13.701   75.873   15.343 -0.000000 0.000000 
1 1 1   22    0   73 o  103.928   8.2397   80.882   11.016   90.940   15.266   69.956   15.911  111.916   10.264   95.940   12.893 -0.000000 0.000000 
1 1 1   22    0   74 o   59.463   12.481   33.013   9.0354   41.338   12.871   24.925   12.687   70.746   15.310   48.181   19.714 -0.000000 0.000000 
1 1 1   22    0   75 o   25.546   11.234   5.0722   7.8735   6.9368   11.174   3.2335   11.096   27.016   16.404   24.077   15.355 -0.000000 0.000000 
1 1 1   22    0   76 o   38.153   13.354   17.521   8.8002   12.135   12.888   22.226   12.045   31.958   18.441   44.348   19.319 -0.000000 0.000000 
1 1 1   22    0   77 o   68.556   17.667   42.327   14.186   0.0000   0.0000   42.327   14.186   68.556   17.667   68.556   17.667 -0.000000 0.000000 
1 1 1   22    0   78 o   23.524   15.243   2.7973   11.509   0.0000   0.0000   2.7973   11.509   23.524   15.243   23.524   15.243 -0.000000 0.000000 
1 1 1   22    0   79 o   28.144   11.497   3.5941   8.6385   19.545   12.456 -11.1883   11.991   38.868   19.409   17.420   12.330 -0.000000 0.000000 
1 1 1   22    1    0 o  355.599   6.3189  855.852   28.644  863.253   49.935  852.222   34.969  356.676   10.331  354.521   7.2789 2.155304 12.63789 
1 1 1   22    1    1 o  846.842   11.969  4880.15  129.452  4873.54  224.194  4883.46  158.555  845.847   19.559  847.836   13.800 -1.989502 23.93751 
1 1 1   22    1    2 o  624.930   7.5713  2648.40   64.090  2718.65   92.339  2583.09   89.027  632.915   10.766  616.944   10.649 15.97040 15.14267 
1 1 1   22    1    3 o  617.635   10.597  2588.93   88.692   0.0000   0.0000  2588.93   88.692  ?   ?   617.635   10.597      ?      ? 
1 1 1   22    1    4 o  506.501   6.4332  1740.41   44.155  1736.41   62.551  1744.38   62.340  505.919   9.1237  507.083   9.0720 -1.163391 12.86635 
1 1 1   22    1    5 o  558.235   6.9080  2114.57   52.258  2102.87   73.836  2126.30   73.971  556.687   9.7876  559.783   9.7512 -3.096313 13.81606 
1 1 1   22    1    6 o  746.299   8.7375  3782.45   88.358  3820.17  125.950  3745.89  123.987  749.956   12.393  742.641   12.320 7.315613 17.47498 
1 1 1   22    1    7 o  284.397   5.4094  530.064   17.715  583.850   37.280  514.376   20.134  293.332   9.3786  275.461   5.3936 17.87137 10.81889 
1 1 1   22    1    8 o  398.744   6.3647  1078.06   34.392   0.0000   0.0000  1078.06   34.392  ?   ?   398.744   6.3647      ?      ? 
1 1 1   22    1    9 o  739.957   10.020  3716.60  100.473   0.0000   0.0000  3716.60  100.473  ?   ?   739.957   10.020      ?      ? 
1 1 1   22    1   10 o  329.025   7.0241  734.193   31.318   0.0000   0.0000  734.193   31.318  ?   ?   329.025   7.0241      ?      ? 
1 1 1   22    1   11 o  231.911   5.5481  376.536   16.337  329.615   27.592  401.867   20.273  220.376   9.2392  243.447   6.1452 -23.07120 11.09622 
1 1 1   22    1   12 o  379.302   6.5720  968.917   31.665  998.409   55.868  954.958   38.435  383.407   10.753  375.197   7.5594 8.209717 13.14402 
1 1 1   22    1   13 o  479.316   7.6548  1581.92   47.177  1491.46   79.382  1631.32   58.661  468.373   12.507  490.259   8.8296 -21.88580 15.30957 
1 1 1   22    1   14 o  327.368   6.1268  729.531   25.557  721.107   44.364  733.715   31.267  325.853   10.047  328.884   7.0155 -3.031036 12.25368 
1 1 1   22    1   15 o  707.792   8.3749  3405.67   80.325  3434.96  114.231  3377.02  112.973  710.799   11.859  704.785   11.829 6.014282 16.74989 
1 1 1   22    1   16 o  497.417   6.3651  1679.84   42.904  1666.80   60.398  1693.12   60.956  495.470   8.9955  499.363   9.0078 -3.894012 12.73027 
1 1 1   22    1   17 o  639.896   7.7125  2783.00   66.875  2816.88   95.208  2750.02   93.955  643.737   10.914  636.055   10.900 7.682861 15.42508 
1 1 1   22    1   18 o  325.968   4.9407  720.947   21.825  724.087   30.927  717.832   30.802  326.675   6.9862  325.261   6.9883 1.414124 9.881465 
1 1 1   22    1   19 o  433.708   5.7929  1276.39   34.037  1242.68   47.488  1312.01   48.811  427.823   8.1911  439.594   8.1938 -11.77124 11.58583 
1 1 1   22    1   20 o  316.564   4.8664  679.907   20.874  666.757   29.310  693.441   29.735  313.457   6.9002  319.670   6.8642 -6.213287 9.732901 
1 1 1   22    1   21 o  428.303   5.7566  1245.70   33.411  1240.47   47.124  1250.99   47.378  427.399   8.1364  429.207   8.1457 -1.807953 11.51315 
1 1 1   22    1   22 o  133.608   4.1660  121.144   7.5395  117.169   10.675  125.100   10.650  131.418   5.9941  135.798   5.7873 -4.380646 8.332031 
1 1 1   22    1   23 o  344.995   5.0688  807.709   23.693  788.241   33.168  827.994   33.856  340.750   7.1829  349.240   7.1537 -8.489532 10.13753 
1 1 1   22    1   24 o  231.611   4.3278  364.005   13.583  365.323   19.224  362.690   19.196  232.030   6.1138  231.192   6.1270 0.8382263 8.655542 
1 1 1   22    1   25 o  354.164   6.2046  856.890   28.327  866.858   35.135  838.376   47.885  357.297   7.2564  351.030   10.066 6.267731 12.40912 
1 1 1   22    1   26 o  231.536   5.1614  364.803   15.473  366.576   19.253  361.568   26.001  232.411   6.1129  230.661   8.3182 1.750183 10.32277 
1 1 1   22    1   27 o  427.102   8.1015  1239.64   46.890  1239.64   46.890   0.0000   0.0000  427.102   8.1015  ?   ?       ?      ? 
1 1 1   22    1   28 o  336.157   6.2394  769.717   26.550  771.988   32.264  764.953   46.730  337.147   7.0618  335.167   10.288 1.980377 12.47886 
1 1 1   22    1   29 o  156.621   4.1555  166.122   8.8065  154.091   12.165  179.371   12.766  150.672   5.9579  162.570   5.7945 -11.89832 8.310980 
1 1 1   22    1   30 o  475.455   6.1711  1536.83   39.749  1498.53   55.422  1577.39   57.040  469.362   8.7134  481.548   8.7409 -12.18607 12.34212 
1 1 1   22    1   31 o  226.426   4.3276  348.062   13.278  344.951   18.694  351.229   18.864  225.405   6.1200  227.447   6.1203 -2.041946 8.655156 
1 1 1   22    1   32 o  278.911   6.5270  528.357   24.670  528.357   24.670   0.0000   0.0000  278.911   6.5270  ?   ?       ?      ? 
1 1 1   22    1   33 o  112.083   4.3037   85.342   6.5325   88.918   9.2394   81.768   9.2372  114.436   5.9579  109.729   6.2121 4.707191 8.607371 
1 1 1   22    1   34 o  257.525   4.5303  450.426   15.804  467.073   22.498  434.210   22.206  262.229   6.3312  252.821   6.4814 9.408371 9.060511 
1 1 1   22    1   35 o  333.274   7.1579  757.471   32.274  816.702   46.105  700.562   45.192  346.110   9.8300  320.438   10.407 25.67203 14.31574 
1 1 1   22    1   36 o  317.088   5.9445  683.388   24.223  687.921   41.508  681.047   29.830  317.649   9.6428  316.527   6.9543 1.121552 11.88892 
1 1 1   22    1   37 o  295.381   4.7862  592.740   19.153  609.830   27.451  576.529   26.735  299.528   6.7631  291.234   6.7742 8.294281 9.572303 
1 1 1   22    1   38 o  142.156   4.3097  137.314   8.2999  133.423   11.727  141.219   11.748  140.133   6.1757  144.179   6.0130 -4.046494 8.619451 
1 1 1   22    1   39 o  126.515   4.4276  108.796   7.5667  120.529   10.833   97.615   10.574  133.193   6.0016  119.837   6.5113 13.35651 8.855294 
1 1 1   22    1   40 o  142.315   4.3571  137.540   8.3874  126.364   11.691  149.392   12.040  136.350   6.3274  148.279   5.9917 -11.92844 8.714153 
1 1 1   22    1   41 o  377.423   6.6607  957.704   31.807  1012.37   56.852  932.796   38.375  384.688   10.906  370.159   7.6503 14.52887 13.32147 
1 1 1   22    1   42 o  141.114   5.5594  134.556   9.9333  138.633   17.627  132.660   12.024  142.541   9.1256  139.687   6.3521 2.853973 11.11872 
1 1 1   22    1   43 o  195.846   6.1617  262.129   16.310  253.088   23.694  270.271   22.484  192.575   9.0794  199.117   8.3326 -6.542526 12.32346 
1 1 1   22    1   44 o   98.401   6.9361   65.896   9.2490   65.896   9.2490   0.0000   0.0000   98.401   6.9361  ?   ?       ?      ? 
1 1 1   22    1   45 o  198.087   4.3820  266.880   11.761  270.650   16.600  263.079   16.666  199.499   6.1403  196.675   6.2533 2.823380 8.763967 
1 1 1   22    1   46 f  163.916   4.3872  182.764   9.7449  182.294   13.724  183.242   13.840  163.705   6.1863  164.126   6.2225 -0.4214630 8.774411 
1 1 1   22    1   47 o  146.738   4.4912  146.564   8.9290  148.918   12.578  144.174   12.677  147.933   6.2745  145.542   6.4277 2.391174 8.982444 
1 1 1   22    1   48 o  213.829   6.3125  311.255   18.291  311.255   18.291   0.0000   0.0000  213.829   6.3125  ?   ?       ?      ? 
1 1 1   22    1   49 o  115.953   6.6579   91.615   10.462   91.615   10.462   0.0000   0.0000  115.953   6.6579  ?   ?       ?      ? 
1 1 1   22    1   50 o   80.846   5.5114   44.662   6.0334   42.351   8.4789   47.031   8.5870   78.714   7.9489   82.977   7.6366 -4.262909 11.02284 
1 1 1   22    1   51 o  153.902   4.5039  161.368   9.3669  178.353   13.466  145.447   13.038  161.776   6.1426  146.029   6.5884 15.74718 9.007732 
1 1 1   22    1   52 o  131.518   4.6579  118.088   8.2989  120.830   11.698  115.309   11.775  133.070   6.4870  129.966   6.6859 3.104065 9.315727 
1 1 1   22    1   53 o  400.389   5.6855  1099.18   30.848  1094.75   43.513  1103.67   43.740  399.580   8.0359  401.198   8.0452 -1.618622 11.37106 
1 1 1   22    1   54 o  176.606   5.3704  210.884   12.242  223.412   21.023  204.456   15.059  180.228   8.6080  172.984   6.4241 7.244110 10.74088 
1 1 1   22    1   55 o  133.223   5.4915  121.055   9.4661  124.696   16.065  119.119   11.716  134.490   8.8146  131.956   6.5520 2.533997 10.98298 
1 1 1   22    1   56 f  143.005   4.5786  139.995   8.8703  135.496   12.478  144.591   12.612  140.666   6.5459  145.344   6.4035 -4.677490 9.157116 
1 1 1   22    1   57 o   85.177   5.4640   50.137   6.2533   42.342   8.7707   58.197   8.9183   78.321   8.2636   92.034   7.1507 -13.71287 10.92798 
1 1 1   22    1   58 o  134.591   4.7014  124.346   8.5620  133.742   12.247  115.363   11.974  139.609   6.4734  129.573   6.8196 10.03659 9.402759 
1 1 1   22    1   59 o  216.816   5.7872  325.264   15.854  326.747   28.014  324.565   19.230  216.314   9.5566  217.317   6.5298 -1.003418 11.57437 
1 1 1   22    1   60 o  227.995   5.8809  363.518   16.979  354.401   29.631  367.975   20.718  224.809   9.7265  231.182   6.6132 -6.372986 11.76179 
1 1 1   22    1   61 o  119.449   4.9321   98.579   7.9808  102.101   11.349   95.134   11.225  121.588   6.8878  117.310   7.0611 4.277695 9.864141 
1 1 1   22    1   62 o  207.163   4.6827  296.482   13.146  295.468   18.537  297.508   18.646  206.812   6.6141  207.515   6.6305 -0.7027435 9.365334 
1 1 1   22    1   63 o   96.819   5.2410   65.186   6.8739   62.905   9.6014   67.585   9.8456   95.068   7.4528   98.570   7.3708 -3.501823 10.48204 
1 1 1   22    1   64 o  144.270   4.6735  144.286   9.1357  141.490   12.799  147.190   13.045  142.845   6.6118  145.696   6.6069 -2.851227 9.346996 
1 1 1   22    1   65 o   65.036   9.1980   30.063   8.1064   30.063   8.1064   0.0000   0.0000   65.036   9.1980  ?   ?       ?      ? 
1 1 1   22    1   66 f  107.711   7.2291   81.159   10.552   81.159   10.552   0.0000   0.0000  107.711   7.2291  ?   ?       ?      ? 
1 1 1   22    1   67 o   58.912   7.3624   25.507   5.7565   26.522   8.1879   24.515   8.0949   60.609   9.9691   57.216   10.837 3.392460 14.72488 
1 1 1   22    1   68 o   98.022   5.3823   67.788   7.1314   73.608   10.136   62.083   10.036  102.340   7.3085   93.703   7.9033 8.637070 10.76460 
1 1 1   22    1   69 o   73.656   6.2680   38.900   6.2496   36.943   8.8373   40.859   8.8393   71.694   9.0961   75.617   8.6261 -3.922821 12.53591 
1 1 1   22    1   70 o   63.991   8.6708   31.556   7.0035   30.695   11.796   32.025   8.7035   61.584   14.393   66.397   9.6731 -4.812244 17.34155 
1 1 1   22    1   71 o   34.714   9.4023   7.7337   6.2607   3.7252   10.439   9.9852   7.8238   32.634   13.773   36.795   12.803 -4.160740 18.80454 
1 1 1   22    1   72 o   82.288   6.1850   49.121   6.7862   59.679   9.7211   39.086   9.4779   91.455   7.8438   73.121   9.5651 18.33392 12.36997 
1 1 1   22    1   73 o   42.379   9.0455   14.348   5.6683   12.263   7.9354   16.520   8.0997   39.463   12.895   45.295   12.689 -5.832031 18.09106 
1 1 1   22    1   74 o   75.431   6.5725   41.865   6.7007   45.737   9.5867   38.165   9.3694   79.060   8.9480   71.801   9.6294 7.259224 13.14501 
1 1 1   22    1   75 o   85.236   7.6525   53.707   8.3741   61.323   14.664   50.022   10.201   88.204   12.269   82.267   9.1503 5.937637 15.30506 
1 1 1   22    1   76 o   31.689   8.8226   5.5239   5.7966   10.653   8.4445   0.9536   7.9712   36.702   13.250   26.677   11.653 10.02424 17.64513 
1 1 1   22    1   77 o   42.750   8.6759   14.793   6.0999   25.080   8.6580   4.6550   8.5954   55.248   11.915   30.252   12.615 24.99595 17.35180 
1 1 1   22    1   78 o   26.261   8.1961   0.0014   5.8406   4.2645   8.3992  -3.9902   8.1273   29.415   12.381   23.108   10.743 6.306927 16.39215 
1 1 1   22    1   79 o   55.816   9.3984   27.700   7.0121   26.118   9.8390   29.332   9.9959   53.898   13.500   57.734   13.079 -3.835602 18.79677 
1 1 1   22    2    0 o  356.422   7.2942  861.404   35.231   0.0000   0.0000  861.404   35.231  ?   ?   356.422   7.2942      ?      ? 
1 1 1   22    2    1 o  646.305   9.5278  2859.36   79.251  2908.90   98.263  2767.18  134.051  654.647   11.076  637.964   15.506 16.68243 19.05552 
1 1 1   22    2    2 o  908.675   12.749  5601.28  147.773  5562.26  180.435  5680.76  257.527  904.606   14.719  912.744   20.820 -8.137817 25.49784 
1 1 1   22    2    3 o  460.466   7.3600  1432.24   43.373  1418.66   53.093  1459.49   75.203  457.321   8.5671  463.612   11.970 -6.290344 14.72000 
1 1 1   22    2    4 o  536.278   8.2105  1955.70   56.503  1962.04   69.578  1943.44   96.825  537.737   9.5482  534.818   13.360 2.918030 16.42107 
1 1 1   22    2    5 o  625.756   9.3062  2667.32   74.502  2639.79  128.316  2681.31   91.505  623.025   15.198  628.487   10.744 -5.461548 18.61237 
1 1 1   22    2    6 o  358.398   6.4220  873.881   29.384  864.449   50.825  878.617   36.012  356.858   10.510  359.937   7.3831 -3.079468 12.84402 
1 1 1   22    2    7 o  528.663   8.1729  1889.29   55.018  1923.68   96.332  1872.65   67.024  532.011   13.362  525.314   9.4152 6.697449 16.34578 
1 1 1   22    2    8 o  283.477   5.7781  545.367   20.874  544.471   36.318  545.809   25.508  283.245   9.4618  283.708   6.6347 -0.4636841 11.55617 
1 1 1   22    2    9 o  479.547   7.6033  1535.24   46.085  1634.06   82.704  1490.74   55.499  490.374   12.446  468.721   8.7376 21.65305 15.20654 
1 1 1   22    2   10 o  531.482   8.1821  1896.62   55.123  1981.93   97.966  1857.10   66.680  539.889   13.390  523.075   9.4069 16.81409 16.36422 
1 1 1   22    2   11 o  160.816   5.3602  181.154   10.869  159.143   18.627  192.519   13.384  153.129   8.9762  168.503   5.8614 -15.37392 10.72047 
1 1 1   22    2   12 o  666.761   9.7935  3048.55   83.874  2948.96  142.413  3101.45  103.782  657.902   15.974  675.620   11.335 -17.71765 19.58699 
1 1 1   22    2   13 o  224.038   5.2990  336.918   15.142  351.138   26.575  330.082   18.425  227.455   8.6219  220.621   6.1628 6.833939 10.59797 
1 1 1   22    2   14 o  180.196   5.1249  218.654   11.797  225.156   20.583  215.474   14.395  182.139   8.3393  178.253   5.9594 3.886673 10.24982 
1 1 1   22    2   15 o  213.220   4.2988  308.315   12.420  309.280   17.696  307.379   17.436  213.547   6.1150  212.892   6.0436 0.6547241 8.597549 
1 1 1   22    2   16 o  711.829   8.4136  3445.14   81.146  3383.57  113.510  3509.50  116.049  705.331   11.876  718.327   11.922 -12.99530 16.82729 
1 1 1   22    2   17 o  757.770   10.872  3953.83  106.269  4042.72  132.312  3792.27  178.376  770.690   12.669  744.851   17.672 25.83881 21.74392 
1 1 1   22    2   18 o  485.723   7.5696  1599.51   47.174  1590.09   57.954  1618.01   81.213  483.871   8.8384  487.574   12.291 -3.702454 15.13924 
1 1 1   22    2   19 f  173.837   5.0468  212.301   11.409  238.412   14.815  174.250   17.885  187.481   5.8315  160.195   8.2386 27.28607 10.09360 
1 1 1   22    2   20 o  401.802   6.6526  1092.84   34.385  1083.68   42.333  1110.61   58.949  399.518   7.8191  404.086   10.765 -4.567993 13.30516 
1 1 1   22    2   21 o  527.160   6.6329  1888.50   47.381  1910.11   67.441  1867.44   66.580  530.136   9.3876  524.184   9.3730 5.952454 13.26581 
1 1 1   22    2   22 o  704.804   8.3457  3382.82   79.708  3405.39  113.195  3360.63  112.261  707.133   11.813  702.476   11.793 4.656860 16.69143 
1 1 1   22    2   23 o  324.336   4.9234  713.797   21.635  732.742   30.939  695.670   30.264  328.547   6.9492  320.125   6.9764 8.421509 9.846878 
1 1 1   22    2   24 o  597.076   7.2903  2425.85   58.987  2430.87   83.482  2420.85   83.359  597.693   10.307  596.459   10.313 1.234375 14.58059 
1 1 1   22    2   25 o  255.295   4.4659  442.155   15.446  456.063   22.089  428.845   21.608  259.224   6.2880  251.366   6.3433 7.857956 8.931745 
1 1 1   22    2   26 o  468.703   6.1097  1492.38   38.793  1451.65   54.026  1535.74   55.737  462.107   8.6273  475.299   8.6536 -13.19235 12.21944 
1 1 1   22    2   27 o  452.255   5.9624  1389.61   36.531  1430.60   52.377  1350.79   50.976  458.746   8.4254  445.763   8.4388 12.98294 11.92477 
1 1 1   22    2   28 o  272.745   4.5762  505.044   16.914  501.736   23.844  508.395   23.995  271.846   6.4727  273.644   6.4708 -1.798248 9.152448 
1 1 1   22    2   29 o  338.065   5.0202  776.307   22.998  786.022   32.643  766.734   32.405  340.167   7.0814  335.962   7.1178 4.204010 10.04037 
1 1 1   22    2   30 o  300.215   4.7641  612.155   19.382  614.047   27.373  610.253   27.447  300.682   6.7178  299.747   6.7570 0.9345703 9.528138 
1 1 1   22    2   31 o  354.455   6.5204  867.380   29.425  892.150   36.198  819.128   50.522  362.320   7.3725  346.591   10.757 15.72897 13.04076 
1 1 1   22    2   32 o  252.996   6.4217  433.093   21.929  407.280   29.455  465.196   32.848  244.615   8.8856  261.377   9.2737 -16.76151 12.84349 
1 1 1   22    2   33 o  131.055   5.4457  115.033   8.8119  112.606   10.436  121.058   16.447  128.777   5.9803  133.334   9.1026 -4.556595 10.89136 
1 1 1   22    2   34 o  338.532   5.0531  778.654   23.176  761.578   32.362  796.634   33.207  334.725   7.1344  342.339   7.1579 -7.613586 10.10624 
1 1 1   22    2   35 o  138.096   4.2932  129.062   7.9832  109.942   10.955  150.713   11.658  127.213   6.3547  148.979   5.7744 -21.76591 8.586361 
1 1 1   22    2   36 o  307.440   4.8555  642.016   20.221  620.763   28.177  664.586   29.037  302.195   6.8805  312.684   6.8528 -10.48880 9.710970 
1 1 1   22    2   37 o  496.005   7.8363  1653.01   49.146  1760.51   88.089  1604.43   59.219  506.788   12.827  485.222   9.0061 21.56653 15.67266 
1 1 1   22    2   38 o  154.898   5.3716  166.219   10.547  154.682   18.190  172.062   12.944  150.653   8.9101  159.144   6.0021 -8.491364 10.74318 
1 1 1   22    2   39 o  313.443   5.9349  664.331   23.880  684.677   41.246  654.071   29.287  316.766   9.6085  310.121   6.9690 6.644958 11.86972 
1 1 1   22    2   40 o  111.486   5.4262   85.703   7.8441   80.718   12.955   88.588   9.8562  108.813   8.7855  114.160   6.3711 -5.346672 10.85250 
1 1 1   22    2   41 o   80.505   5.3117   44.098   5.7931   42.602   8.1060   45.660   8.2821   79.107   7.5615   81.903   7.4621 -2.795326 10.62350 
1 1 1   22    2   42 o  254.917   4.5926  441.404   15.849  470.425   22.793  414.237   22.053  263.034   6.3945  246.799   6.5938 16.23489 9.185156 
1 1 1   22    2   43 o  252.598   4.5760  433.613   15.657  417.953   21.824  450.225   22.477  247.898   6.4964  257.298   6.4464 -9.400055 9.151975 
1 1 1   22    2   44 o  324.846   6.1442  737.884   25.837  788.411   32.750  654.608   42.045  340.315   7.1014  309.376   10.029 30.93860 12.28843 
1 1 1   22    2   45 o  152.657   5.1164  156.340   10.184  150.362   12.659  167.305   17.144  148.679   6.2829  156.635   8.0768 -7.955261 10.23277 
1 1 1   22    2   46 o  327.883   6.2304  724.102   26.036  764.479   45.869  704.911   31.623  334.106   10.131  321.660   7.2549 12.44626 12.46080 
1 1 1   22    2   47 o   75.954   6.3845   38.415   6.4524   34.356   8.2297   44.893   10.395   70.916   8.5636   80.991   9.4716 -10.07521 12.76890 
1 1 1   22    2   48 o  427.091   5.8710  1246.01   33.976  1230.98   47.606  1261.60   48.504  424.479   8.2760  429.703   8.3296 -5.224487 11.74204 
1 1 1   22    2   49 o  143.942   4.4954  141.156   8.7667  142.416   12.303  139.857   12.495  144.603   6.2784  143.280   6.4354 1.323364 8.990730 
1 1 1   22    2   50 o  136.470   4.5619  126.928   8.4355  125.765   11.817  128.136   12.046  135.837   6.4194  137.103   6.4835 -1.266113 9.123800 
1 1 1   22    2   51 o  246.833   4.6773  415.642   15.629  441.307   22.286  390.804   21.925  254.368   6.4653  239.298   6.7610 15.07048 9.354688 
1 1 1   22    2   52 o  158.680   5.8732  175.249   11.519  179.229   13.812  166.156   20.877  162.085   6.2882  155.275   9.9214 6.809402 11.74634 
1 1 1   22    2   53 o  121.564   4.7582  100.964   7.8368   99.502   10.947  102.502   11.224  120.667   6.6944  122.462   6.7636 -1.794502 9.516393 
1 1 1   22    2   54 o  125.514   4.7709  107.788   8.0970  117.223   11.559   98.698   11.346  130.948   6.5140  120.079   6.9723 10.86896 9.541776 
1 1 1   22    2   55 o  189.926   4.5736  245.798   11.723  216.279   16.081  279.280   17.126  177.744   6.6761  202.107   6.2530 -24.36296 9.147153 
1 1 1   22    2   56 o  146.020   5.9653  153.286   10.820  130.499   18.814  164.547   13.226  136.988   10.135  155.051   6.2945 -18.06233 11.93056 
1 1 1   22    2   57 o  173.939   6.4600  207.420   15.227   0.0000   0.0000  207.420   15.227  ?   ?   173.939   6.4600      ?      ? 
1 1 1   22    2   58 o  112.070   5.9275   86.837   8.5789   87.418   14.526   86.525   10.631  111.991   9.5712  112.148   6.9953 -0.1571960 11.85508 
1 1 1   22    2   59 o   82.553   5.5970   47.268   6.2417   43.055   8.8299   51.475   8.8242   78.789   8.2701   86.317   7.5439 -7.527863 11.19396 
1 1 1   22    2   60 o  100.327   5.1555   69.575   7.0029   73.537   9.9780   65.729   9.8308  103.184   7.1359   97.470   7.4428 5.713516 10.31098 
1 1 1   22    2   61 o  125.943   4.7935  109.516   8.1786  113.334   11.654  105.809   11.481  128.130   6.7116  123.757   6.8459 4.372940 9.587037 
1 1 1   22    2   62 o   76.263   6.7934   40.332   6.8306   37.990   8.6097   44.309   11.221   73.630   8.6287   78.896   10.495 -5.265167 13.58687 
1 1 1   22    2   63 o  168.645   5.5045  198.824   12.030  199.457   15.002  197.685   20.136  169.766   6.5212  167.525   8.8698 2.241058 11.00906 
1 1 1   22    2   64 o   38.778   8.7977   10.947   5.2910   8.8704   7.4750   13.031   7.4902   35.902   12.513   41.655   12.370 -5.753517 17.59531 
1 1 1   22    2   65 o   40.056   8.5697   11.828   5.2009   15.755   7.4316   8.0580   7.2811   45.514   11.911   34.599   12.324 10.91484 17.13949 
1 1 1   22    2   66 o   68.953   6.4030   33.964   5.9652   36.328   8.3610   31.514   8.5131   71.561   8.6217   6